smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000382305020 677677189 /nfs/dbraw/zinc/67/71/89/677677189.db2.gz QMNNXPTUAUXYJF-UHFFFAOYSA-N 1 0 389.193 1.833 20 0 GDADRO COC[C@@]1(C[NH2+][C@@H]2CCCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C ZINC000384982501 677677298 /nfs/dbraw/zinc/67/72/98/677677298.db2.gz NRHNCVMIGSIRBV-PBHICJAKSA-N 1 0 376.519 1.569 20 0 GDADRO O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2c1nnc(C(F)(F)F)s1 ZINC001055031884 677679641 /nfs/dbraw/zinc/67/96/41/677679641.db2.gz AWWIQMWKMRAQRG-VWYCJHECSA-N 1 0 375.420 1.879 20 0 GDADRO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CCN3CC[NH2+]C[C@@H]3C2)n1 ZINC001164398092 718833812 /nfs/dbraw/zinc/83/38/12/718833812.db2.gz AUHXEXGPVKGIGA-OLZOCXBDSA-N 1 0 377.880 1.273 20 0 GDADRO CC[C@@H]1C(=O)Nc2cnc(N3CCN4CC[NH2+]C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164398926 718833921 /nfs/dbraw/zinc/83/39/21/718833921.db2.gz MICHDDIKNQOLMV-NVXWUHKLSA-N 1 0 385.516 1.050 20 0 GDADRO CC[C@@H]1C(=O)Nc2cnc(N3CCN4CC[NH2+]C[C@H]4C3)nc2N1C1CCCC1 ZINC001164398925 718833975 /nfs/dbraw/zinc/83/39/75/718833975.db2.gz MICHDDIKNQOLMV-DOTOQJQBSA-N 1 0 385.516 1.050 20 0 GDADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164400238 718843044 /nfs/dbraw/zinc/84/30/44/718843044.db2.gz TYIPXMCRAIDVNE-NSHDSACASA-N 1 0 375.807 1.466 20 0 GDADRO c1ccc(CN2CCc3ncnc(N4CCO[C@H]5C[NH2+]CC[C@@H]5C4)c3C2)cc1 ZINC001164404847 718861647 /nfs/dbraw/zinc/86/16/47/718861647.db2.gz QOZLUPATUJQYHQ-NQIIRXRSSA-N 1 0 379.508 1.850 20 0 GDADRO CS(=O)(=O)c1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)cnc1Cl ZINC001164407056 718866309 /nfs/dbraw/zinc/86/63/09/718866309.db2.gz INXMFKPISWCNBY-PWSUYJOCSA-N 1 0 395.859 1.498 20 0 GDADRO O=C1NCCN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)C12C[NH2+]C2 ZINC001164414150 718878998 /nfs/dbraw/zinc/87/89/98/718878998.db2.gz QXOJGTCEXMQXQT-UHFFFAOYSA-N 1 0 379.798 1.620 20 0 GDADRO [NH3+][C@@H]1[C@H]2CN([C@]3(F)CN(C4CCCC4)c4nc(Cl)ncc4NC3=O)C[C@H]21 ZINC001164440269 718985675 /nfs/dbraw/zinc/98/56/75/718985675.db2.gz LGICCKCJXSALQS-JJTUWOBKSA-N 1 0 380.855 1.386 20 0 GDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc2c(Cl)ncnc2c1 ZINC001164620958 719016020 /nfs/dbraw/zinc/01/60/20/719016020.db2.gz ZUYWMVZLBGCIHF-XDTLVQLUSA-N 1 0 397.813 1.953 20 0 GDADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccc1CN1CCCC1 ZINC001164653808 719327402 /nfs/dbraw/zinc/32/74/02/719327402.db2.gz ILDJFFRUSXYMQK-UHFFFAOYSA-N 1 0 391.497 1.277 20 0 GDADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[NH+](CC(C)C)CC1 ZINC001164654456 719335427 /nfs/dbraw/zinc/33/54/27/719335427.db2.gz QFIRJMCOVRJXGQ-UHFFFAOYSA-N 1 0 377.489 1.268 20 0 GDADRO CCn1nnc2c1[C@@H](COC)CN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164662323 719361291 /nfs/dbraw/zinc/36/12/91/719361291.db2.gz ALRRRFAMNNPWJH-MRXNPFEDSA-N 1 0 386.500 1.918 20 0 GDADRO C[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)C[C@H]21 ZINC001164668551 719464952 /nfs/dbraw/zinc/46/49/52/719464952.db2.gz QNYOTXDQFRDYKR-RTBURBONSA-N 1 0 380.496 1.322 20 0 GDADRO CCOC(=O)c1ncnc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)c1C ZINC001164687237 719723780 /nfs/dbraw/zinc/72/37/80/719723780.db2.gz VGTKWIHUIZXJPN-UHFFFAOYSA-N 1 0 375.473 1.143 20 0 GDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)CC2 ZINC001164684703 719724122 /nfs/dbraw/zinc/72/41/22/719724122.db2.gz JOJMTMMVBOQFHT-UHFFFAOYSA-N 1 0 377.876 1.410 20 0 GDADRO CCOC(=O)/C=C\c1ccc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc1 ZINC001164684302 719728741 /nfs/dbraw/zinc/72/87/41/719728741.db2.gz GEUGGNPLVDZEPD-VURMDHGXSA-N 1 0 386.496 1.839 20 0 GDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc(Cl)c1C(N)=O)C2 ZINC001164811823 720132194 /nfs/dbraw/zinc/13/21/94/720132194.db2.gz NMXKSHXJCAKCFJ-SCLBCKFNSA-N 1 0 379.892 1.414 20 0 GDADRO CSc1ccnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164711865 720172124 /nfs/dbraw/zinc/17/21/24/720172124.db2.gz CZFPCKYTPVNPQX-OAHLLOKOSA-N 1 0 389.529 1.543 20 0 GDADRO Cc1ncc(F)c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164712906 720173289 /nfs/dbraw/zinc/17/32/89/720173289.db2.gz IAHYOJDWRDELEK-INIZCTEOSA-N 1 0 375.452 1.269 20 0 GDADRO Cn1nnc2c1CCN(c1cc3c(nn1)CCC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715699 720202799 /nfs/dbraw/zinc/20/27/99/720202799.db2.gz MQJGNVSUONSJPW-GOSISDBHSA-N 1 0 383.500 1.310 20 0 GDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3ncn(C)c3n1)CCC2 ZINC001164813541 720220822 /nfs/dbraw/zinc/22/08/22/720220822.db2.gz OEIZNPLGCRKXOA-UHFFFAOYSA-N 1 0 382.472 1.171 20 0 GDADRO COC(=O)c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164819149 720299411 /nfs/dbraw/zinc/29/94/11/720299411.db2.gz CIFQYISSQISDGZ-SJORKVTESA-N 1 0 387.484 1.175 20 0 GDADRO Cn1ccc2c1ncnc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822626 720300893 /nfs/dbraw/zinc/30/08/93/720300893.db2.gz NSDGHGJWEJYPJM-QZTJIDSGSA-N 1 0 382.512 1.880 20 0 GDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc3cccnc3n2)CC1 ZINC001164818879 720313564 /nfs/dbraw/zinc/31/35/64/720313564.db2.gz BFSQUYWBGMHXEM-ZWKOTPCHSA-N 1 0 380.496 1.936 20 0 GDADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)cc(O[C@H]3CCOC3)n2)C1 ZINC001164735264 720533952 /nfs/dbraw/zinc/53/39/52/720533952.db2.gz NLNILWKTSDUYIC-KGLIPLIRSA-N 1 0 392.891 1.692 20 0 GDADRO COC(=O)c1cncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835407 720549213 /nfs/dbraw/zinc/54/92/13/720549213.db2.gz HCXUWZPETDYFEH-SOLBZPMBSA-N 1 0 384.484 1.838 20 0 GDADRO Cn1ccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737115 720669055 /nfs/dbraw/zinc/66/90/55/720669055.db2.gz DMCKACRIXSEXTK-OLZOCXBDSA-N 1 0 385.859 1.754 20 0 GDADRO Cn1cnc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737640 720672035 /nfs/dbraw/zinc/67/20/35/720672035.db2.gz GUHHIVOWSXVEIQ-RYUDHWBXSA-N 1 0 386.847 1.149 20 0 GDADRO COC(=O)c1cc(F)c(C)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742684 720696716 /nfs/dbraw/zinc/69/67/16/720696716.db2.gz WIYOGJKRCXQNND-ZIAGYGMSSA-N 1 0 387.415 1.448 20 0 GDADRO C[C@@H]1CC(=O)Nc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c21 ZINC001164738398 720704719 /nfs/dbraw/zinc/70/47/19/720704719.db2.gz JDJDPSUXUXCGJF-RDBSUJKOSA-N 1 0 381.440 1.054 20 0 GDADRO c1ncc(O[C@@H]2C[C@H]3CN(c4cc(N5CCCCC5)ncn4)CC[N@H+]3C2)cn1 ZINC001164742826 720757851 /nfs/dbraw/zinc/75/78/51/720757851.db2.gz OMNAXXYLOJJMOZ-DLBZAZTESA-N 1 0 381.484 1.599 20 0 GDADRO Cc1noc(-c2cccnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737453 720766360 /nfs/dbraw/zinc/76/63/60/720766360.db2.gz BSXZYFLHWUIFJP-LSDHHAIUSA-N 1 0 379.424 1.572 20 0 GDADRO C[C@@H]1CCCN(c2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncn2)C1 ZINC001164746647 720789653 /nfs/dbraw/zinc/78/96/53/720789653.db2.gz MEEBVWBZTRTADH-KURKYZTESA-N 1 0 395.511 1.845 20 0 GDADRO CCOc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744514 720823419 /nfs/dbraw/zinc/82/34/19/720823419.db2.gz UUEABVVAMNXIMT-RCCFBDPRSA-N 1 0 383.500 1.846 20 0 GDADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccnc(Cl)n3)CC[C@@H]2C1 ZINC001164850439 720830426 /nfs/dbraw/zinc/83/04/26/720830426.db2.gz UBEUJMVIFXFKSC-OLZOCXBDSA-N 1 0 376.835 1.848 20 0 GDADRO CCOc1nccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746922 720832083 /nfs/dbraw/zinc/83/20/83/720832083.db2.gz ZPCHMOIJIDLSLB-OKZBNKHCSA-N 1 0 383.500 1.846 20 0 GDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CCCC3)CC[C@@H]2C1 ZINC001164851663 720832493 /nfs/dbraw/zinc/83/24/93/720832493.db2.gz YBMYPCGJGMUMHI-IEBWSBKVSA-N 1 0 388.512 1.491 20 0 GDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)ncc3C(=O)OC)CC[C@H]2C1 ZINC001164853215 720834551 /nfs/dbraw/zinc/83/45/51/720834551.db2.gz NCXFYUACFXPEPL-JSGCOSHPSA-N 1 0 384.864 1.090 20 0 GDADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164855274 720835194 /nfs/dbraw/zinc/83/51/94/720835194.db2.gz TUEHOPISOTVOSV-KAGICYHLSA-N 1 0 389.496 1.831 20 0 GDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(Cl)c4ccncc43)CC[C@@H]2C1 ZINC001164849238 720838621 /nfs/dbraw/zinc/83/86/21/720838621.db2.gz BMSOUKPBDMOHOZ-CZUORRHYSA-N 1 0 377.876 1.852 20 0 GDADRO CNC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741343 720839121 /nfs/dbraw/zinc/83/91/21/720839121.db2.gz FHCWIMGAAFFNFK-GBESFXJTSA-N 1 0 395.511 1.412 20 0 GDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4cccnc43)CC[C@@H]2C1 ZINC001164851488 720843007 /nfs/dbraw/zinc/84/30/07/720843007.db2.gz HUFIEUQWZRNVMF-UKRRQHHQSA-N 1 0 377.876 1.852 20 0 GDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4cnccc43)CC[C@@H]2C1 ZINC001164857846 720846865 /nfs/dbraw/zinc/84/68/65/720846865.db2.gz YTOBGMKTEWNKFZ-CJNGLKHVSA-N 1 0 377.876 1.852 20 0 GDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc4c3CNC4=O)CC[C@H]2C1 ZINC001164857411 720863225 /nfs/dbraw/zinc/86/32/25/720863225.db2.gz QSICOEYQBAFCIT-SWLSCSKDSA-N 1 0 380.876 1.152 20 0 GDADRO C[NH+](C)Cc1ccnc(N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)c1 ZINC001164861693 720896684 /nfs/dbraw/zinc/89/66/84/720896684.db2.gz YNALBGAKPCLYKL-UHFFFAOYSA-N 1 0 379.468 1.355 20 0 GDADRO C=C(OCC)c1ccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nn1 ZINC001164749203 720954918 /nfs/dbraw/zinc/95/49/18/720954918.db2.gz AVNYRHFBXHWDHM-UHFFFAOYSA-N 1 0 386.456 1.326 20 0 GDADRO NC(=O)c1cc(Cl)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868232 721054171 /nfs/dbraw/zinc/05/41/71/721054171.db2.gz NQWABNHRLYKXFL-HOTGVXAUSA-N 1 0 387.871 1.709 20 0 GDADRO CCOC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164868706 721060229 /nfs/dbraw/zinc/06/02/29/721060229.db2.gz PZBRZCNBDXKTRL-IRXDYDNUSA-N 1 0 383.452 1.528 20 0 GDADRO NC(=O)c1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868117 721065199 /nfs/dbraw/zinc/06/51/99/721065199.db2.gz MJAQZVDTJVLBNT-ZIAGYGMSSA-N 1 0 388.859 1.104 20 0 GDADRO NC(=O)c1ncc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866550 721074119 /nfs/dbraw/zinc/07/41/19/721074119.db2.gz FHFHGYXCYJFPKU-KBPBESRZSA-N 1 0 388.859 1.104 20 0 GDADRO CCOC(=O)c1ncnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164867676 721098530 /nfs/dbraw/zinc/09/85/30/721098530.db2.gz ZNQAAGZUDYKKFY-ROUUACIJSA-N 1 0 397.479 1.836 20 0 GDADRO CC(C)c1nc(N(C)C)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164773975 721155647 /nfs/dbraw/zinc/15/56/47/721155647.db2.gz ZPLIJRXTICGOEA-IAGOWNOFSA-N 1 0 384.532 1.753 20 0 GDADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccnc(N5CCOCC5)n4)C[C@@H]3C2)cn1 ZINC001164772240 721161467 /nfs/dbraw/zinc/16/14/67/721161467.db2.gz UQKMSRJNBTUXAB-ROUUACIJSA-N 1 0 383.500 1.005 20 0 GDADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5ncnc(Cl)c5n4)C[C@H]3C2)cn1 ZINC001164765920 721167408 /nfs/dbraw/zinc/16/74/08/721167408.db2.gz IPMVMESARUJKQT-ZIAGYGMSSA-N 1 0 384.875 1.765 20 0 GDADRO CON(C)C(=O)c1cccnc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164772853 721173586 /nfs/dbraw/zinc/17/35/86/721173586.db2.gz VOBOKFFZFBKEKE-SJORKVTESA-N 1 0 384.484 1.407 20 0 GDADRO NC(=O)c1ccnc(Cl)c1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880759 721177026 /nfs/dbraw/zinc/17/70/26/721177026.db2.gz XOPKADYDVLXBGL-GJZGRUSLSA-N 1 0 387.871 1.709 20 0 GDADRO CCCNC(=O)c1cccnc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164761996 721196176 /nfs/dbraw/zinc/19/61/76/721196176.db2.gz BNWDGYOWEAGNNJ-ROUUACIJSA-N 1 0 382.512 1.913 20 0 GDADRO CCN1C(=O)[C@]2(CC[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)n4)C[C@H]32)N=C1C ZINC001164871675 721230250 /nfs/dbraw/zinc/23/02/50/721230250.db2.gz KHMKFHAGYAJSDA-NJNPRVFISA-N 1 0 396.539 1.699 20 0 GDADRO CNC(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164765452 721242150 /nfs/dbraw/zinc/24/21/50/721242150.db2.gz RABRPLVWFZXPNS-KBPBESRZSA-N 1 0 389.891 1.181 20 0 GDADRO CCc1ncnc(Cl)c1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164868598 721263427 /nfs/dbraw/zinc/26/34/27/721263427.db2.gz DSVGUOBQRWZTCD-UHFFFAOYSA-N 1 0 395.935 1.699 20 0 GDADRO C[NH+]1CCN(c2cccc(N3CC[C@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)n2)CC1 ZINC001164884202 721343120 /nfs/dbraw/zinc/34/31/20/721343120.db2.gz NFALIIUFXMZKRK-XMSQKQJNSA-N 1 0 399.539 1.345 20 0 GDADRO COC(=O)c1nccnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892821 721390416 /nfs/dbraw/zinc/39/04/16/721390416.db2.gz SUMICIGFVDRIFY-UZLBHIALSA-N 1 0 389.500 1.029 20 0 GDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(OC(F)F)cn4)C3)O2)CC1 ZINC001164889472 721421017 /nfs/dbraw/zinc/42/10/17/721421017.db2.gz QWOVUTVEFARLFC-BEFAXECRSA-N 1 0 397.470 1.843 20 0 GDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nnc5ccccc5n4)C3)O2)CC1 ZINC001164899514 721439440 /nfs/dbraw/zinc/43/94/40/721439440.db2.gz YVGHBVOURQXGFK-DYESRHJHSA-N 1 0 382.512 1.790 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4cc(F)ccc42)CC3)CC1 ZINC001164796641 721509489 /nfs/dbraw/zinc/50/94/89/721509489.db2.gz VBOIRPAPOIBANI-UHFFFAOYSA-N 1 0 381.459 1.733 20 0 GDADRO Cc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc2ccccc12 ZINC001164794555 721512406 /nfs/dbraw/zinc/51/24/06/721512406.db2.gz 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GDADRO COc1cnc(SC)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165007438 721731041 /nfs/dbraw/zinc/73/10/41/721731041.db2.gz CTKUVSMKUUQTFJ-UHFFFAOYSA-N 1 0 379.530 1.730 20 0 GDADRO COCCN1CCO[C@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@H]2C1=O ZINC001164925013 721844528 /nfs/dbraw/zinc/84/45/28/721844528.db2.gz ZQCYUTQRYTULNP-MOPGFXCFSA-N 1 0 388.512 1.376 20 0 GDADRO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164923165 721874856 /nfs/dbraw/zinc/87/48/56/721874856.db2.gz IXGFUMPALBEDKT-HZPDHXFCSA-N 1 0 386.500 1.360 20 0 GDADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164934751 721890295 /nfs/dbraw/zinc/89/02/95/721890295.db2.gz STWXNUGARIZVCP-HUUCEWRRSA-N 1 0 380.924 1.484 20 0 GDADRO COC(=O)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164980523 722113531 /nfs/dbraw/zinc/11/35/31/722113531.db2.gz RQBUYXZDXPLXIP-WMZOPIPTSA-N 1 0 383.452 1.386 20 0 GDADRO COC(=O)Cc1cccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972548 722113788 /nfs/dbraw/zinc/11/37/88/722113788.db2.gz FYOPWNBIAFYGHH-QUCCMNQESA-N 1 0 396.491 1.919 20 0 GDADRO CN1c2ccccc2[C@@]2(CCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1=O ZINC001164979890 722161531 /nfs/dbraw/zinc/16/15/31/722161531.db2.gz LPCFXJUSPIYDLF-NRFANRHFSA-N 1 0 378.480 1.353 20 0 GDADRO CN1c2ccccc2[C@]2(CCN(c3cccc(N4CC[NH+](C)CC4)n3)C2)C1=O ZINC001164980552 722162190 /nfs/dbraw/zinc/16/21/90/722162190.db2.gz NDGWGEWQZNOQRB-JOCHJYFZSA-N 1 0 377.492 1.958 20 0 GDADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(Cn3cncn3)cn1)CCC2 ZINC001165003843 722256483 /nfs/dbraw/zinc/25/64/83/722256483.db2.gz JGWRTDDONNQYQW-UHFFFAOYSA-N 1 0 396.499 1.406 20 0 GDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncc3c(n1)CC[NH2+]C3)C2 ZINC001165003753 722261493 /nfs/dbraw/zinc/26/14/93/722261493.db2.gz KDRHMHBRZRONBC-OAQYLSRUSA-N 1 0 396.470 1.189 20 0 GDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc3c(nn1)CC[NH2+]C3)C2 ZINC001165006419 722266248 /nfs/dbraw/zinc/26/62/48/722266248.db2.gz IMPHKQFOANBVKZ-NRFANRHFSA-N 1 0 396.470 1.189 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000819867944 945302442 /nfs/dbraw/zinc/30/24/42/945302442.db2.gz VQBQPXUKABDDOG-KBPBESRZSA-N 1 0 380.456 1.492 20 0 GDADRO CC(C)N1CC[C@H](N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000820128041 945358555 /nfs/dbraw/zinc/35/85/55/945358555.db2.gz OTZYLJSSYKJUMJ-SFHVURJKSA-N 1 0 383.500 1.384 20 0 GDADRO CC1(C)CCC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736211366 944764100 /nfs/dbraw/zinc/76/41/00/944764100.db2.gz POQTXBXUKIEFIB-UHFFFAOYSA-N 1 0 383.456 1.710 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736859913 944902031 /nfs/dbraw/zinc/90/20/31/944902031.db2.gz KCAOAKCATTWBFM-CABCVRRESA-N 1 0 387.419 1.030 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000737298069 945031895 /nfs/dbraw/zinc/03/18/95/945031895.db2.gz NOLMOJRBMVKRSS-KBPBESRZSA-N 1 0 378.502 1.716 20 0 GDADRO Cc1noc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571260417 945414370 /nfs/dbraw/zinc/41/43/70/945414370.db2.gz RXGSBCIRGSWRTH-ZYHUDNBSSA-N 1 0 385.432 1.089 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1csc(=O)[nH]1 ZINC001571261423 945426701 /nfs/dbraw/zinc/42/67/01/945426701.db2.gz FBAQYHWBOIRDRL-GFCCVEGCSA-N 1 0 385.453 1.423 20 0 GDADRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358985 945429846 /nfs/dbraw/zinc/42/98/46/945429846.db2.gz QRNBSFKPNIAPNZ-WMLDXEAASA-N 1 0 398.515 1.395 20 0 GDADRO CO[C@H]1CCC[C@@H](CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571263952 945471708 /nfs/dbraw/zinc/47/17/08/945471708.db2.gz COJSBGAOASHJAU-KBXIAJHMSA-N 1 0 385.472 1.338 20 0 GDADRO Cc1cc(N(C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCOC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264096 945475176 /nfs/dbraw/zinc/47/51/76/945475176.db2.gz GCWIBVZPKYUAME-CABCVRRESA-N 1 0 385.472 1.424 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)C3CCOCC3)CC2(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264959 945495077 /nfs/dbraw/zinc/49/50/77/945495077.db2.gz ABJAJDATKUNYIK-MRXNPFEDSA-N 1 0 385.472 1.068 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1C[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]2C1 ZINC001571265016 945497983 /nfs/dbraw/zinc/49/79/83/945497983.db2.gz BASFCGAAOWYQQC-XHSDSOJGSA-N 1 0 385.472 1.158 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]21 ZINC001571265790 945522133 /nfs/dbraw/zinc/52/21/33/945522133.db2.gz KLSJIKWKKWKZFG-JJRVBVJISA-N 1 0 385.472 1.300 20 0 GDADRO CC1(C)C[N@H+](CCc2cccs2)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571265876 945523113 /nfs/dbraw/zinc/52/31/13/945523113.db2.gz RCDMYWJLHWAVMI-OAHLLOKOSA-N 1 0 385.497 1.939 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@H]1CCOC1 ZINC001571266452 945541539 /nfs/dbraw/zinc/54/15/39/945541539.db2.gz QVQSJJKWHTYVMS-XKQJLSEDSA-N 1 0 385.472 1.300 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)CC[C@@H]3CCCO3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266697 945549570 /nfs/dbraw/zinc/54/95/70/945549570.db2.gz XBMGMKXDMJUIFE-HACGYAERSA-N 1 0 385.472 1.210 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC2(C1)CCC[N@H+](CCOC1CCC1)C2 ZINC001571266696 945550289 /nfs/dbraw/zinc/55/02/89/945550289.db2.gz WZWYQRFNIDJWSP-UHFFFAOYSA-N 1 0 385.472 1.302 20 0 GDADRO Cc1cc(NCC2CCN(C(=O)C[C@H]3CCOC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266756 945551802 /nfs/dbraw/zinc/55/18/02/945551802.db2.gz YPZSWMMDVBQFPD-OAHLLOKOSA-N 1 0 385.472 1.069 20 0 GDADRO O=C(c1ncc(F)cc1F)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571267132 945563537 /nfs/dbraw/zinc/56/35/37/945563537.db2.gz KHZRDQFAAWFKJM-LLVKDONJSA-N 1 0 386.366 1.074 20 0 GDADRO CN(C(=O)C1=CCOCC1)C1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571268577 945600438 /nfs/dbraw/zinc/60/04/38/945600438.db2.gz HUEVPNFFHPDANE-UHFFFAOYSA-N 1 0 386.431 1.432 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@H]1C[C@]12CCOC2 ZINC001571268598 945600451 /nfs/dbraw/zinc/60/04/51/945600451.db2.gz IFWYRVJJRKARKY-GPINWOSQSA-N 1 0 386.431 1.169 20 0 GDADRO O=C([C@H]1CC12CC2)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571269042 945611176 /nfs/dbraw/zinc/61/11/76/945611176.db2.gz NAXXYEOISNFJGT-UKRRQHHQSA-N 1 0 386.431 1.123 20 0 GDADRO Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571271392 945642082 /nfs/dbraw/zinc/64/20/82/945642082.db2.gz BHFYUJLIOWIKMR-ZYHUDNBSSA-N 1 0 386.485 1.600 20 0 GDADRO CCn1nc(C)cc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271559 945643998 /nfs/dbraw/zinc/64/39/98/945643998.db2.gz DKTKSQXOHRFMKK-HAQNSBGRSA-N 1 0 386.485 1.504 20 0 GDADRO Cc1nc(C[NH2+]C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c(C)s1 ZINC001571271693 945647842 /nfs/dbraw/zinc/64/78/42/945647842.db2.gz HHTIUWZVECCPGF-GFCCVEGCSA-N 1 0 386.485 1.520 20 0 GDADRO Cc1ncsc1C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001571271700 945648104 /nfs/dbraw/zinc/64/81/04/945648104.db2.gz HNDAWZLXUCVEBO-PWSUYJOCSA-N 1 0 386.485 1.458 20 0 GDADRO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000821181594 945649327 /nfs/dbraw/zinc/64/93/27/945649327.db2.gz NCXMHQXNNPZSBZ-JTQLQIEISA-N 1 0 379.852 1.305 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271868 945652343 /nfs/dbraw/zinc/65/23/43/945652343.db2.gz LHFXPRUCYDCMIY-PWSUYJOCSA-N 1 0 386.485 1.743 20 0 GDADRO Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H](C)C2)s1 ZINC001571271843 945652797 /nfs/dbraw/zinc/65/27/97/945652797.db2.gz KXGZJTYANWZJFD-ZWNOBZJWSA-N 1 0 386.485 1.743 20 0 GDADRO Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)c(C)s1 ZINC001571272356 945660289 /nfs/dbraw/zinc/66/02/89/945660289.db2.gz SQIFBLBJERXLAE-CYBMUJFWSA-N 1 0 386.485 1.663 20 0 GDADRO CCn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001571272551 945665594 /nfs/dbraw/zinc/66/55/94/945665594.db2.gz WOMTZXPNSQYKAQ-BJHJDKERSA-N 1 0 386.485 1.443 20 0 GDADRO Cc1nc(C[NH2+]CC2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)cs1 ZINC001571272701 945669172 /nfs/dbraw/zinc/66/91/72/945669172.db2.gz YJDVEGBIGCDOMV-UHFFFAOYSA-N 1 0 386.485 1.602 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccncc2Cl)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571275287 945704963 /nfs/dbraw/zinc/70/49/63/945704963.db2.gz RVODSUHLTFEQSZ-GWCFXTLKSA-N 1 0 386.847 1.636 20 0 GDADRO CCn1ccnc1CN1CCC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821566783 945716317 /nfs/dbraw/zinc/71/63/17/945716317.db2.gz TYWZJKQSZKODOQ-GOSISDBHSA-N 1 0 396.499 1.324 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000821587188 945726919 /nfs/dbraw/zinc/72/69/19/945726919.db2.gz KXEKKSISCZKVQG-UHFFFAOYSA-N 1 0 379.852 1.098 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CN1C(=O)c1ccns1 ZINC001571279199 945771391 /nfs/dbraw/zinc/77/13/91/945771391.db2.gz KXGTVZGHCVDQGL-GXFFZTMASA-N 1 0 387.444 1.855 20 0 GDADRO Cc1nc(C(=O)N2CC[C@H]([C@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571281423 945804709 /nfs/dbraw/zinc/80/47/09/945804709.db2.gz IKBJLURILCFOFX-JQWIXIFHSA-N 1 0 387.469 1.865 20 0 GDADRO Cc1nocc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281653 945810174 /nfs/dbraw/zinc/81/01/74/945810174.db2.gz KUEKTNSQFUXJCF-LBPRGKRZSA-N 1 0 387.469 1.867 20 0 GDADRO Cc1ncoc1C(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571281813 945816962 /nfs/dbraw/zinc/81/69/62/945816962.db2.gz OLUWACAXDIRDIC-AAEUAGOBSA-N 1 0 387.469 1.913 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001571281997 945823299 /nfs/dbraw/zinc/82/32/99/945823299.db2.gz QWKHPDVWRCJRPJ-DZGCQCFKSA-N 1 0 387.488 1.309 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000821700635 945831829 /nfs/dbraw/zinc/83/18/29/945831829.db2.gz TZSGRWACEIDHOV-GOOCMWNKSA-N 1 0 386.456 1.386 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001571282728 945857833 /nfs/dbraw/zinc/85/78/33/945857833.db2.gz PACYXTBQAURDLG-MRXNPFEDSA-N 1 0 387.463 1.038 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283139 945874876 /nfs/dbraw/zinc/87/48/76/945874876.db2.gz ZXYVWALKIGQLLO-BBRMVZONSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)c1cc(Cl)no1 ZINC001571283203 945880018 /nfs/dbraw/zinc/88/00/18/945880018.db2.gz BMEPQPQYQIZRRW-ZWNOBZJWSA-N 1 0 387.831 1.901 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)c1cc(Cl)no1 ZINC001571283200 945880402 /nfs/dbraw/zinc/88/04/02/945880402.db2.gz BMEPQPQYQIZRRW-GWCFXTLKSA-N 1 0 387.831 1.901 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571284877 945905135 /nfs/dbraw/zinc/90/51/35/945905135.db2.gz VMHNDXMCHCHUHH-MFKMUULPSA-N 1 0 387.831 1.758 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC001571284942 945906805 /nfs/dbraw/zinc/90/68/05/945906805.db2.gz XFMDIHDLVVEAPA-JLZZUVOBSA-N 1 0 387.488 1.186 20 0 GDADRO CC[C@@H](C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[nH]n2)n1)[NH+](C)C ZINC001571285213 945911230 /nfs/dbraw/zinc/91/12/30/945911230.db2.gz ZMPXZDVFWUPSPY-ZFWWWQNUSA-N 1 0 387.492 1.098 20 0 GDADRO O=C([C@@H]1CC1(F)F)N1CC2(C1)CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571286196 945940094 /nfs/dbraw/zinc/94/00/94/945940094.db2.gz AOCDYFDOOFSMDQ-HNNXBMFYSA-N 1 0 388.422 1.946 20 0 GDADRO C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287427 945972061 /nfs/dbraw/zinc/97/20/61/945972061.db2.gz DJLQWDRUMWASGL-MHEUCROKSA-N 1 0 388.447 1.415 20 0 GDADRO O=C(C[C@@H]1CCCOC1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287602 945975198 /nfs/dbraw/zinc/97/51/98/945975198.db2.gz FWNTZJOPAXWSNJ-BBRMVZONSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(c1cnsn1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571287620 945975778 /nfs/dbraw/zinc/97/57/78/945975778.db2.gz GGJIQRIYYLNRET-LBPRGKRZSA-N 1 0 388.432 1.252 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001571287803 945978711 /nfs/dbraw/zinc/97/87/11/945978711.db2.gz IFZBKRDGOTVMTA-MIGQKNRLSA-N 1 0 388.447 1.750 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)CC1(O)CCC1 ZINC001571288029 945983292 /nfs/dbraw/zinc/98/32/92/945983292.db2.gz LLFXMHDLONFNTA-WBMJQRKESA-N 1 0 388.447 1.390 20 0 GDADRO CN(C(=O)[C@H]1CCCCO1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288373 945985417 /nfs/dbraw/zinc/98/54/17/945985417.db2.gz OVIFUOZREAYHCJ-MQBCKMQZSA-N 1 0 388.447 1.654 20 0 GDADRO C[C@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571288315 945985974 /nfs/dbraw/zinc/98/59/74/945985974.db2.gz NYLYOIFRIMLTJX-LRDDRELGSA-N 1 0 388.447 1.247 20 0 GDADRO O=C(C[C@@H]1CCOC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571288346 945986824 /nfs/dbraw/zinc/98/68/24/945986824.db2.gz OMLGGWFTKBWQIM-XJKSGUPXSA-N 1 0 388.447 1.513 20 0 GDADRO CO[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC[C@@H]2C1 ZINC001571288252 945986903 /nfs/dbraw/zinc/98/69/03/945986903.db2.gz MZCJLRITQYTRFK-YUELXQCFSA-N 1 0 388.447 1.321 20 0 GDADRO C[C@@H]1CO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571288917 945994093 /nfs/dbraw/zinc/99/40/93/945994093.db2.gz ULTQZAZRLVFUBM-MJFSBKNWSA-N 1 0 388.447 1.415 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@@H]1CCOC1 ZINC001571289240 945997341 /nfs/dbraw/zinc/99/73/41/945997341.db2.gz XUZQRSMEFSMHHC-HUUCEWRRSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)C1CCOCC1 ZINC001571289301 946000807 /nfs/dbraw/zinc/00/08/07/946000807.db2.gz ZILHPDJLICGDOQ-PXAZEXFGSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CC[C@@H](CCNc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001571289702 946014058 /nfs/dbraw/zinc/01/40/58/946014058.db2.gz KPMKVZPMFGRIIC-CYBMUJFWSA-N 1 0 388.451 1.147 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCC2(C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001571290078 946028849 /nfs/dbraw/zinc/02/88/49/946028849.db2.gz USGFRVZYMWMWMC-AWEZNQCLSA-N 1 0 388.497 1.532 20 0 GDADRO CC[C@@H](C(=O)N1CCC[C@H](CNc2cccc(F)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571294490 946136697 /nfs/dbraw/zinc/13/66/97/946136697.db2.gz HNRBUCIUTQOWBB-CJNGLKHVSA-N 1 0 389.479 1.997 20 0 GDADRO Cn1cc(C[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC000822674178 946152813 /nfs/dbraw/zinc/15/28/13/946152813.db2.gz MYHJQSCDAJPNKG-AWEZNQCLSA-N 1 0 380.456 1.493 20 0 GDADRO CC(C)[C@H](C(=O)N1CCc2c(sc(N)c2-c2nn[nH]n2)C1)[NH+]1CCCCC1 ZINC001571295567 946166944 /nfs/dbraw/zinc/16/69/44/946166944.db2.gz XWUSYEQLOXEKBE-OAHLLOKOSA-N 1 0 389.529 1.906 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1 ZINC001571295996 946183101 /nfs/dbraw/zinc/18/31/01/946183101.db2.gz LXASMMKSIXWFGS-DZFIZOCASA-N 1 0 390.447 1.736 20 0 GDADRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](F)C(C)C)CC2)cc1-c1nn[nH]n1 ZINC001571298464 946219819 /nfs/dbraw/zinc/21/98/19/946219819.db2.gz OKNUNBKBUZRDPX-KRWDZBQOSA-N 1 0 390.463 1.950 20 0 GDADRO C[C@@](O)(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001571300102 946272496 /nfs/dbraw/zinc/27/24/96/946272496.db2.gz UXSUZGSLKFNGGE-KPZWWZAWSA-N 1 0 390.513 1.417 20 0 GDADRO CN(C[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571301951 946287782 /nfs/dbraw/zinc/28/77/82/946287782.db2.gz IWXIZIPGSAAMFF-AGIUHOORSA-N 1 0 391.426 1.838 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571302341 946299819 /nfs/dbraw/zinc/29/98/19/946299819.db2.gz VCMWWUQESKGRJM-VXGBXAGGSA-N 1 0 391.426 1.625 20 0 GDADRO C[C@H](C(=O)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1)C(C)(F)F ZINC001571302350 946301327 /nfs/dbraw/zinc/30/13/27/946301327.db2.gz VMKVYLBLLVGRCI-XIKOKIGWSA-N 1 0 391.426 1.982 20 0 GDADRO COc1ccccc1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571303985 946355293 /nfs/dbraw/zinc/35/52/93/946355293.db2.gz UIZQEABUDWLYKQ-OKILXGFUSA-N 1 0 391.435 1.479 20 0 GDADRO Cc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571305993 946386331 /nfs/dbraw/zinc/38/63/31/946386331.db2.gz GGEUCIWLYSQGTL-IBGZPJMESA-N 1 0 391.479 1.846 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)CCc2cncnc2)C1 ZINC001571313229 946516202 /nfs/dbraw/zinc/51/62/02/946516202.db2.gz KLBMRSQPZPYZTM-GOSISDBHSA-N 1 0 392.467 1.322 20 0 GDADRO CCn1nccc1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571313647 946528721 /nfs/dbraw/zinc/52/87/21/946528721.db2.gz SHSYAKJWYWNEFQ-FUHWJXTLSA-N 1 0 392.467 1.430 20 0 GDADRO CCN(C(=O)c1cnnc(C)c1)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571314073 946543058 /nfs/dbraw/zinc/54/30/58/946543058.db2.gz ZSEKWNFRSCILIQ-KRWDZBQOSA-N 1 0 392.467 1.702 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cnn1 ZINC001571315228 946550399 /nfs/dbraw/zinc/55/03/99/946550399.db2.gz HRZKOSDXBDFMLD-WMZOPIPTSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1cc(NC[C@]2(C)CCN(C(=O)c3ncccc3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316330 946575052 /nfs/dbraw/zinc/57/50/52/946575052.db2.gz ZZFURTVHHOHCJR-FQEVSTJZSA-N 1 0 392.467 1.660 20 0 GDADRO Cn1nccc1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316376 946575117 /nfs/dbraw/zinc/57/51/17/946575117.db2.gz BCFOPUWZNNXPDO-IAGOWNOFSA-N 1 0 392.467 1.337 20 0 GDADRO Cc1ncncc1C(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316526 946580357 /nfs/dbraw/zinc/58/03/57/946580357.db2.gz FQEAUHJBHHGMMC-DYVFJYSZSA-N 1 0 392.467 1.463 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCc1cncc(-c2nn[nH]n2)c1 ZINC001571316757 946586935 /nfs/dbraw/zinc/58/69/35/946586935.db2.gz LQJZPEWGBKAAEF-UHFFFAOYSA-N 1 0 392.467 1.090 20 0 GDADRO O=C(NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cc2c([nH]1)CCCC2 ZINC001571316770 946587458 /nfs/dbraw/zinc/58/74/58/946587458.db2.gz MGGFNJDKKVBBNZ-UHFFFAOYSA-N 1 0 392.467 1.511 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC001571317294 946605684 /nfs/dbraw/zinc/60/56/84/946605684.db2.gz BJCZLCVWXQFZHK-PELKAZGASA-N 1 0 392.876 1.555 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H](C[NH2+]Cc2csc(Cl)n2)C1 ZINC001571317775 946620976 /nfs/dbraw/zinc/62/09/76/946620976.db2.gz VORHQMLENLALDM-VIFPVBQESA-N 1 0 392.876 1.557 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccnn1C1CCC1 ZINC001571317850 946624567 /nfs/dbraw/zinc/62/45/67/946624567.db2.gz XGQOSJUNFXBYNO-INIZCTEOSA-N 1 0 392.467 1.793 20 0 GDADRO Brc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001573280657 946666739 /nfs/dbraw/zinc/66/67/39/946666739.db2.gz VKTTUYKZOGDGQF-SECBINFHSA-N 1 0 376.222 1.132 20 0 GDADRO C[C@@H](Cc1cnccn1)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824463656 946718034 /nfs/dbraw/zinc/71/80/34/946718034.db2.gz ACJWMERFWOXSQX-HNNXBMFYSA-N 1 0 378.484 1.842 20 0 GDADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554971 946799893 /nfs/dbraw/zinc/79/98/93/946799893.db2.gz UCHLEQCCOCOJNP-LBPRGKRZSA-N 1 0 376.486 1.474 20 0 GDADRO CC(=O)Nc1cccc2c1C[N@H+](C[C@@H](O)c1cccc(-c3nn[nH]n3)c1)CC2 ZINC001573548585 946856107 /nfs/dbraw/zinc/85/61/07/946856107.db2.gz PUKCXKBGKMLZQT-LJQANCHMSA-N 1 0 378.436 1.917 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824613931 946864296 /nfs/dbraw/zinc/86/42/96/946864296.db2.gz YNHCOXGRFWESBE-MPBGBICISA-N 1 0 391.435 1.772 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000824708518 946906476 /nfs/dbraw/zinc/90/64/76/946906476.db2.gz YBRQCWLDQAZDFX-HUUCEWRRSA-N 1 0 396.499 1.154 20 0 GDADRO CC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000825140034 947096951 /nfs/dbraw/zinc/09/69/51/947096951.db2.gz JBXHQLSCLZXGQC-MRXNPFEDSA-N 1 0 390.444 1.894 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825451155 947192830 /nfs/dbraw/zinc/19/28/30/947192830.db2.gz GNIFLFRWEDQZIG-ZWKOTPCHSA-N 1 0 383.500 1.778 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001573585614 947262444 /nfs/dbraw/zinc/26/24/44/947262444.db2.gz HGVDQVLFAXHHDL-CHWSQXEVSA-N 1 0 383.431 1.885 20 0 GDADRO CCOc1cccc([C@@H]2C[C@@H]2[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825648736 947270205 /nfs/dbraw/zinc/27/02/05/947270205.db2.gz ACZCBSBHSPEOPY-BZSNNMDCSA-N 1 0 378.436 1.938 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc2cc[nH]c2n1 ZINC000825865780 947349359 /nfs/dbraw/zinc/34/93/59/947349359.db2.gz KPGYMOMFPTWQFL-UHFFFAOYSA-N 1 0 390.451 1.947 20 0 GDADRO C[N@H+](C[C@H]1CC=CCC1)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000825909155 947368239 /nfs/dbraw/zinc/36/82/39/947368239.db2.gz SGGCBFLDRYGFEO-XOBRGWDASA-N 1 0 395.467 1.879 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccc1 ZINC001573598850 947446382 /nfs/dbraw/zinc/44/63/82/947446382.db2.gz SMNSBEXAMQQISO-CRAIPNDOSA-N 1 0 379.468 1.962 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCCC1 ZINC001573598826 947447038 /nfs/dbraw/zinc/44/70/38/947447038.db2.gz SCNLCJIKDYAVMU-PBHICJAKSA-N 1 0 386.500 1.602 20 0 GDADRO COC(=O)COc1ccc(C[N@H+](C)CCOc2ccccc2-c2nn[nH]n2)cc1 ZINC000826138298 947449552 /nfs/dbraw/zinc/44/95/52/947449552.db2.gz OINHROAXNQRSRJ-UHFFFAOYSA-N 1 0 397.435 1.929 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC001573599303 947454615 /nfs/dbraw/zinc/45/46/15/947454615.db2.gz XGUDBWTXZLGXFG-IUCAKERBSA-N 1 0 392.407 1.036 20 0 GDADRO COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000826191343 947583520 /nfs/dbraw/zinc/58/35/20/947583520.db2.gz DDUBVLFDHGVIPD-DZGCQCFKSA-N 1 0 382.472 1.582 20 0 GDADRO C[C@H](C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)C(F)(F)F ZINC001573616383 947620764 /nfs/dbraw/zinc/62/07/64/947620764.db2.gz VSHWQCQDTNZSMI-SKDRFNHKSA-N 1 0 383.378 1.531 20 0 GDADRO C[C@H](C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)n1cccc1 ZINC001573616510 947624084 /nfs/dbraw/zinc/62/40/84/947624084.db2.gz WWAPCMYXBKINPK-CJNGLKHVSA-N 1 0 380.456 1.395 20 0 GDADRO C=Cc1ccc(C(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001573356669 947653147 /nfs/dbraw/zinc/65/31/47/947653147.db2.gz ZWDNEWLQYCOKFD-UHFFFAOYSA-N 1 0 375.436 1.947 20 0 GDADRO C[C@@H](C(=O)N1CCC(N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573618804 947655224 /nfs/dbraw/zinc/65/52/24/947655224.db2.gz SFBLYJKWHGDLEY-AWEZNQCLSA-N 1 0 380.456 1.752 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573623182 947685588 /nfs/dbraw/zinc/68/55/88/947685588.db2.gz DMMGTMAWEPUKEP-DYVFJYSZSA-N 1 0 380.456 1.094 20 0 GDADRO C[C@@H](C(=O)N1CCC(O)(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)C1CC1 ZINC001573623395 947686454 /nfs/dbraw/zinc/68/64/54/947686454.db2.gz FFHBEGMTNRSWOB-CQSZACIVSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C(F)(F)F ZINC001573623669 947689371 /nfs/dbraw/zinc/68/93/71/947689371.db2.gz HMTKWZHEJRVCIH-ONGXEEELSA-N 1 0 386.353 1.895 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnn(C)c1 ZINC001573625976 947703982 /nfs/dbraw/zinc/70/39/82/947703982.db2.gz RBNOIQHDWWSREI-DGCLKSJQSA-N 1 0 386.485 1.156 20 0 GDADRO C/C(=C\C(=O)N1CCC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001573362785 947704939 /nfs/dbraw/zinc/70/49/39/947704939.db2.gz LLIIDYXPBHITGJ-NRUITVPNSA-N 1 0 381.484 1.999 20 0 GDADRO C[C@H](C(=O)N1CCC[C@](CO)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573628227 947748931 /nfs/dbraw/zinc/74/89/31/947748931.db2.gz GSJQODYOXHSZNF-XOBRGWDASA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001573628494 947757518 /nfs/dbraw/zinc/75/75/18/947757518.db2.gz MDMXMBBMTNGJHK-CABCVRRESA-N 1 0 380.456 1.752 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001573367239 947758031 /nfs/dbraw/zinc/75/80/31/947758031.db2.gz BELIRVGCPCPXMY-WFASDCNBSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573369672 947776783 /nfs/dbraw/zinc/77/67/83/947776783.db2.gz WKDPWGHIROXVRQ-OCCSQVGLSA-N 1 0 390.513 1.872 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573369852 947778228 /nfs/dbraw/zinc/77/82/28/947778228.db2.gz YCHQYYDADFTQGX-WFASDCNBSA-N 1 0 385.472 1.258 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573638020 947830707 /nfs/dbraw/zinc/83/07/07/947830707.db2.gz YWBDSZUVBRGGMF-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1cccs1 ZINC001573638552 947840571 /nfs/dbraw/zinc/84/05/71/947840571.db2.gz PNGYQFTVEADPPY-CHWSQXEVSA-N 1 0 383.481 1.952 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)c1cccnc1 ZINC001573647013 947881791 /nfs/dbraw/zinc/88/17/91/947881791.db2.gz ABGLYUDMTDJABL-CWRNSKLLSA-N 1 0 390.451 1.355 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccn1 ZINC001573654447 947965154 /nfs/dbraw/zinc/96/51/54/947965154.db2.gz QWJLEZJSYJCOAJ-GUYCJALGSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573656830 947995134 /nfs/dbraw/zinc/99/51/34/947995134.db2.gz IPJPMQKONNIYNP-PXAZEXFGSA-N 1 0 386.485 1.467 20 0 GDADRO Cc1onc(CC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[nH]n1 ZINC000826344573 948009188 /nfs/dbraw/zinc/00/91/88/948009188.db2.gz LKIJOMNYZQQLQE-CQSZACIVSA-N 1 0 395.467 1.829 20 0 GDADRO Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826346310 948038342 /nfs/dbraw/zinc/03/83/42/948038342.db2.gz JGPLRYMOOBHTEK-CZUORRHYSA-N 1 0 395.467 1.875 20 0 GDADRO C[C@H](C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573666011 948078674 /nfs/dbraw/zinc/07/86/74/948078674.db2.gz OOACUBUYSXZJLV-JEYLPNPQSA-N 1 0 392.467 1.722 20 0 GDADRO Cn1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361351 948131695 /nfs/dbraw/zinc/13/16/95/948131695.db2.gz UDRVOZSXHMRTQN-SJORKVTESA-N 1 0 397.508 1.974 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccsc1 ZINC001573677922 948144219 /nfs/dbraw/zinc/14/42/19/948144219.db2.gz BHLRMWHNNQSERM-IUODEOHRSA-N 1 0 386.481 1.299 20 0 GDADRO NC(=O)C1CCC([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826390088 948198420 /nfs/dbraw/zinc/19/84/20/948198420.db2.gz PVOMVPOOFBTNFO-UHFFFAOYSA-N 1 0 383.500 1.465 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573681736 948213404 /nfs/dbraw/zinc/21/34/04/948213404.db2.gz XGPICPHOFFRLDX-NHYWBVRUSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573690269 948224221 /nfs/dbraw/zinc/22/42/21/948224221.db2.gz BYDRXRCVJTZDTA-YPMHNXCESA-N 1 0 378.452 1.255 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573691188 948238280 /nfs/dbraw/zinc/23/82/80/948238280.db2.gz DSTIUGKCVKXKHZ-AWEZNQCLSA-N 1 0 377.452 1.804 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573706122 948413122 /nfs/dbraw/zinc/41/31/22/948413122.db2.gz JRPCVISYRIWNTM-ZBFHGGJFSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573706358 948417478 /nfs/dbraw/zinc/41/74/78/948417478.db2.gz ITXASTNCENIHDJ-CQSZACIVSA-N 1 0 392.467 1.581 20 0 GDADRO C[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(F)(F)F ZINC001573706434 948418805 /nfs/dbraw/zinc/41/88/05/948418805.db2.gz JHYQEQPRPHYAPQ-MXQLGCADSA-N 1 0 386.353 1.966 20 0 GDADRO C[C@H](C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1)c1ccc(Cl)s1 ZINC001573717797 948510613 /nfs/dbraw/zinc/51/06/13/948510613.db2.gz NIJFYUBNKRAQEC-VIFPVBQESA-N 1 0 377.861 1.730 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1)[C@H]1CCCO1 ZINC001573720920 948536702 /nfs/dbraw/zinc/53/67/02/948536702.db2.gz SVVUBUDDFPBIEJ-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573728678 948564333 /nfs/dbraw/zinc/56/43/33/948564333.db2.gz QKLYMTAEORCCAG-OFQRWUPVSA-N 1 0 392.467 1.579 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H](C)c1cnn(C)c1 ZINC001573740318 948633131 /nfs/dbraw/zinc/63/31/31/948633131.db2.gz NCVKKKWEULMFMA-VXGBXAGGSA-N 1 0 386.435 1.137 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573747421 948690922 /nfs/dbraw/zinc/69/09/22/948690922.db2.gz UKMJQRCJSCSGPL-GMTAPVOTSA-N 1 0 383.378 1.721 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@H]1CCCO1 ZINC001573751600 948703073 /nfs/dbraw/zinc/70/30/73/948703073.db2.gz BRNUCHHJVADEHL-PLNCSYRRSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)C(F)(F)F ZINC001573751786 948705689 /nfs/dbraw/zinc/70/56/89/948705689.db2.gz CVHMRKVNJMFZFX-OLRMPSLUSA-N 1 0 380.374 1.612 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1CCCO1 ZINC001573753131 948717389 /nfs/dbraw/zinc/71/73/89/948717389.db2.gz RHILHLXTJSAJMI-BYNQJWBRSA-N 1 0 376.486 1.480 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CCC1 ZINC001573754074 948724223 /nfs/dbraw/zinc/72/42/23/948724223.db2.gz ZXTULIJZRIPHGX-YRINGNFDSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnn(C)c1 ZINC001573754086 948724919 /nfs/dbraw/zinc/72/49/19/948724919.db2.gz ZYQNWRFFAYHMQV-RAIGVLPGSA-N 1 0 386.485 1.202 20 0 GDADRO CC(C)[C@@H](F)C(=O)NCC1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574074801 948741331 /nfs/dbraw/zinc/74/13/31/948741331.db2.gz ZBUHXHZIRNUNJD-HFLCMSJXSA-N 1 0 378.427 1.984 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCNc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001574678285 948746179 /nfs/dbraw/zinc/74/61/79/948746179.db2.gz CCIZFZISUZCPKB-ZDUSSCGKSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccn(C)n1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574914307 948748314 /nfs/dbraw/zinc/74/83/14/948748314.db2.gz IFOBSKPCTLQBDU-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)[C@H](F)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574078588 948756828 /nfs/dbraw/zinc/75/68/28/948756828.db2.gz FCRDLSDDXHHYDU-PJODQICGSA-N 1 0 378.427 1.984 20 0 GDADRO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCNc1cncc(-c2nn[nH]n2)n1 ZINC001574679330 948776123 /nfs/dbraw/zinc/77/61/23/948776123.db2.gz SSJGQEHXJURFEY-DZGCQCFKSA-N 1 0 387.492 1.226 20 0 GDADRO CC(F)(F)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001575224868 948796131 /nfs/dbraw/zinc/79/61/31/948796131.db2.gz SNURTZFPPGRPQD-GASCZTMLSA-N 1 0 376.411 1.802 20 0 GDADRO CC(C)[C@H](F)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574080799 948806376 /nfs/dbraw/zinc/80/63/76/948806376.db2.gz NODQZSZBFOPHKW-PJODQICGSA-N 1 0 378.427 1.984 20 0 GDADRO C[C@@H](CNC(=O)CCCn1cccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574918960 948862750 /nfs/dbraw/zinc/86/27/50/948862750.db2.gz SBUVCPHAHNCQAG-ZDUSSCGKSA-N 1 0 386.435 1.277 20 0 GDADRO C[C@H](CNC(=O)CCc1cncnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920424 948901077 /nfs/dbraw/zinc/90/10/77/948901077.db2.gz KWQHHFRWKIBFBB-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)(C(=O)N1CCCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1CCCC1 ZINC001573765663 948919289 /nfs/dbraw/zinc/91/92/89/948919289.db2.gz WGFMVZNBXIDDEG-UHFFFAOYSA-N 1 0 384.488 1.175 20 0 GDADRO CC(C)(C(=O)N1CCc2c(sc(N)c2-c2nn[nH]n2)C1)[NH+]1CCCCC1 ZINC001573766075 948933552 /nfs/dbraw/zinc/93/35/52/948933552.db2.gz YKEBEKBBPADPFM-UHFFFAOYSA-N 1 0 375.502 1.660 20 0 GDADRO CC(C)(C(=O)NC1CC(CNc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001573771484 948941687 /nfs/dbraw/zinc/94/16/87/948941687.db2.gz ITQTZSXFMDTTPS-UHFFFAOYSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](CNC(=O)CCn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574923456 948947702 /nfs/dbraw/zinc/94/77/02/948947702.db2.gz MXWCJGWVBGCCJV-LBPRGKRZSA-N 1 0 388.863 1.401 20 0 GDADRO CC(C)[C@@H]1C[C@@H](C(=O)NCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001574089241 948950421 /nfs/dbraw/zinc/95/04/21/948950421.db2.gz FAQYEYQXUHKQKO-YJBOKZPZSA-N 1 0 386.500 1.866 20 0 GDADRO CC(C)(C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573772029 948950810 /nfs/dbraw/zinc/95/08/10/948950810.db2.gz OTMNQRPWCWMKLK-AWEZNQCLSA-N 1 0 384.488 1.221 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574433372 948954470 /nfs/dbraw/zinc/95/44/70/948954470.db2.gz WPMGQJJEKRQALQ-CYBMUJFWSA-N 1 0 380.456 1.688 20 0 GDADRO C[C@H](CNC(=O)CN(C)c1ccccc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574925471 948972659 /nfs/dbraw/zinc/97/26/59/948972659.db2.gz AHMOWQCUCRMCOP-OAHLLOKOSA-N 1 0 379.468 1.597 20 0 GDADRO CC(C)[N@@H+](C)CC(=O)NC[C@H](C)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926179 948988112 /nfs/dbraw/zinc/98/81/12/948988112.db2.gz KDMDVBBSGZINIG-NSHDSACASA-N 1 0 380.884 1.420 20 0 GDADRO C[C@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001575242630 948988588 /nfs/dbraw/zinc/98/85/88/948988588.db2.gz JGUQXFMIJIFMBQ-UGSOOPFHSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@H](CNC(=O)C[NH+]1CCCC1)N(C)c1snc(Cl)c1-c1nn[nH]n1 ZINC001574926302 948994187 /nfs/dbraw/zinc/99/41/87/948994187.db2.gz NDRZBESFFPEWMH-SECBINFHSA-N 1 0 384.897 1.013 20 0 GDADRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC001573774045 948995631 /nfs/dbraw/zinc/99/56/31/948995631.db2.gz PQBOKGJMUVBIRZ-KRWDZBQOSA-N 1 0 386.500 1.650 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@@H]12 ZINC001575245927 949031048 /nfs/dbraw/zinc/03/10/48/949031048.db2.gz FRSBHUUNFJGTGH-CDHAZOANSA-N 1 0 375.452 1.917 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001575247966 949056641 /nfs/dbraw/zinc/05/66/41/949056641.db2.gz MHCJEOJUBXMAPY-CYBMUJFWSA-N 1 0 391.451 1.250 20 0 GDADRO C[C@@H](CNC(=O)COC(C)(C)C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574928595 949058745 /nfs/dbraw/zinc/05/87/45/949058745.db2.gz PGCKFSZLYMFSQX-LBPRGKRZSA-N 1 0 378.452 1.757 20 0 GDADRO CC(C)c1nocc1C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574443133 949104246 /nfs/dbraw/zinc/10/42/46/949104246.db2.gz VDPKTGLWYGQJMC-LBPRGKRZSA-N 1 0 382.428 1.512 20 0 GDADRO CC(C)(C(=O)NCCN(c1ccc(-c2nn[nH]n2)nc1)C1CC1)[NH+]1CCCC1 ZINC001573781591 949109113 /nfs/dbraw/zinc/10/91/13/949109113.db2.gz JOAFLEGAYMKCEU-UHFFFAOYSA-N 1 0 384.488 1.221 20 0 GDADRO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001574093656 949115111 /nfs/dbraw/zinc/11/51/11/949115111.db2.gz XEWLWZZFAWVFDW-YXISZKLHSA-N 1 0 384.459 1.844 20 0 GDADRO CC(C)(C(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccccc1 ZINC001573782711 949127488 /nfs/dbraw/zinc/12/74/88/949127488.db2.gz VTBYKBXHKNHPLB-VOTSOKGWSA-N 1 0 377.452 1.746 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573786811 949149081 /nfs/dbraw/zinc/14/90/81/949149081.db2.gz CRRPFCQQOLSDDH-KOMQPUFPSA-N 1 0 391.479 1.968 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573786835 949151749 /nfs/dbraw/zinc/15/17/49/949151749.db2.gz FETVKYAERZDTRE-HDJSIYSDSA-N 1 0 378.440 1.116 20 0 GDADRO C[C@@H](c1ccccc1)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514176 949163570 /nfs/dbraw/zinc/16/35/70/949163570.db2.gz BKMVUHQSIDTTNL-BBRMVZONSA-N 1 0 381.440 1.387 20 0 GDADRO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)C(F)F ZINC001573787279 949176767 /nfs/dbraw/zinc/17/67/67/949176767.db2.gz RGWIZDLBMDVMLH-IAZYJMLFSA-N 1 0 382.440 1.766 20 0 GDADRO C[C@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575253163 949183680 /nfs/dbraw/zinc/18/36/80/949183680.db2.gz SSNSJCGYGBYICN-STQMWFEESA-N 1 0 387.488 1.442 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574935693 949205684 /nfs/dbraw/zinc/20/56/84/949205684.db2.gz FIUJYTSXSYBNHF-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575516856 949214325 /nfs/dbraw/zinc/21/43/25/949214325.db2.gz RCQDPZJVQASVMJ-UKRRQHHQSA-N 1 0 383.456 1.321 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574936640 949216976 /nfs/dbraw/zinc/21/69/76/949216976.db2.gz JRLUALZOWFMHIZ-NSHDSACASA-N 1 0 387.394 1.377 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574937320 949227123 /nfs/dbraw/zinc/22/71/23/949227123.db2.gz OFQWEBQDTHPGFB-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](CNC(=O)Cc1cc(F)ccc1F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574937346 949227973 /nfs/dbraw/zinc/22/79/73/949227973.db2.gz OOWOBDMWSWIVST-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574938132 949234874 /nfs/dbraw/zinc/23/48/74/949234874.db2.gz SODLOUVBUATCAA-LBPRGKRZSA-N 1 0 381.440 1.569 20 0 GDADRO CC(C)c1oncc1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574451784 949241132 /nfs/dbraw/zinc/24/11/32/949241132.db2.gz YOFOBJXQIMURJI-TXEJJXNPSA-N 1 0 382.428 1.416 20 0 GDADRO CC(C)n1cc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)cn1 ZINC001574452461 949265397 /nfs/dbraw/zinc/26/53/97/949265397.db2.gz JVIQZOPQWDCOQX-UHFFFAOYSA-N 1 0 382.472 1.848 20 0 GDADRO CC(C)CC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001574108970 949309125 /nfs/dbraw/zinc/30/91/25/949309125.db2.gz SSOHGTJIWRYLKL-UHFFFAOYSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@@H](c1ncccn1)[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001575524205 949313808 /nfs/dbraw/zinc/31/38/08/949313808.db2.gz STGPVONPMOTBFS-MBNYWOFBSA-N 1 0 381.444 1.044 20 0 GDADRO C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575259138 949320221 /nfs/dbraw/zinc/32/02/21/949320221.db2.gz MKSBJJGYRINJJZ-UKRRQHHQSA-N 1 0 383.456 1.330 20 0 GDADRO C[C@@H]1CCC[C@]1(C)C(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576154431 949337229 /nfs/dbraw/zinc/33/72/29/949337229.db2.gz PJOIGHITEHPSMA-QRWLVFNGSA-N 1 0 386.500 1.604 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(C)CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574703588 949338883 /nfs/dbraw/zinc/33/88/83/949338883.db2.gz WORIWIFGNKFBLZ-KZULUSFZSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574459357 949349940 /nfs/dbraw/zinc/34/99/40/949349940.db2.gz BTGXKNURKKAGTP-CQSZACIVSA-N 1 0 383.460 1.367 20 0 GDADRO CC(C)n1ccc(C[NH2+]CC2CC(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001574459395 949358568 /nfs/dbraw/zinc/35/85/68/949358568.db2.gz DZLPYDPTZGSOHY-UHFFFAOYSA-N 1 0 383.460 1.270 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575532921 949409684 /nfs/dbraw/zinc/40/96/84/949409684.db2.gz CYEIVCHUHBPYCP-IFXJQAMLSA-N 1 0 388.447 1.371 20 0 GDADRO CC(C)(C)C(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573803204 949436343 /nfs/dbraw/zinc/43/63/43/949436343.db2.gz NMJLSMRTPOMSFQ-UHFFFAOYSA-N 1 0 385.516 1.583 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575535133 949441581 /nfs/dbraw/zinc/44/15/81/949441581.db2.gz SNZKIYKXGWGWOM-OXQOHEQNSA-N 1 0 384.484 1.622 20 0 GDADRO CC(C)c1nccn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574947541 949446432 /nfs/dbraw/zinc/44/64/32/949446432.db2.gz BXXGCKDGNUBEHK-AWEZNQCLSA-N 1 0 382.472 1.481 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001574468055 949452737 /nfs/dbraw/zinc/45/27/37/949452737.db2.gz GLICDDZVEZIMIF-GASCZTMLSA-N 1 0 380.456 1.695 20 0 GDADRO CC(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574117401 949464925 /nfs/dbraw/zinc/46/49/25/949464925.db2.gz SVUQCLCRPJCXCO-GOSISDBHSA-N 1 0 376.436 1.105 20 0 GDADRO CC(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574117413 949465273 /nfs/dbraw/zinc/46/52/73/949465273.db2.gz TZMDTTLYXZRLPC-GOSISDBHSA-N 1 0 376.436 1.105 20 0 GDADRO CC(C)CC(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCOCC1 ZINC001574117395 949467164 /nfs/dbraw/zinc/46/71/64/949467164.db2.gz SQANSUJLZXCMMV-UHFFFAOYSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574708017 949479078 /nfs/dbraw/zinc/47/90/78/949479078.db2.gz RZGVTCBKCQHYKH-OLZOCXBDSA-N 1 0 378.502 1.681 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574470455 949503283 /nfs/dbraw/zinc/50/32/83/949503283.db2.gz RISCDDUOWISLMP-IYBDPMFKSA-N 1 0 380.456 1.695 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCc2cccnc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574709404 949506161 /nfs/dbraw/zinc/50/61/61/949506161.db2.gz ZGTMSVTXHMJJLN-DZGCQCFKSA-N 1 0 392.467 1.458 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575538192 949512260 /nfs/dbraw/zinc/51/22/60/949512260.db2.gz DRUSJHWCZMGGKT-HNAYVOBHSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575538896 949532923 /nfs/dbraw/zinc/53/29/23/949532923.db2.gz KOCKGYLWEBDLKU-SJCJKPOMSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574711514 949541922 /nfs/dbraw/zinc/54/19/22/949541922.db2.gz IFFCDKSXRYTYGV-WMLDXEAASA-N 1 0 391.479 1.613 20 0 GDADRO C[C@@H]1[C@H](NC(=O)COCC2CC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873257 949571468 /nfs/dbraw/zinc/57/14/68/949571468.db2.gz AJEGUKOFOKYPDB-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001574475627 949572078 /nfs/dbraw/zinc/57/20/78/949572078.db2.gz BPPBBJKMCUYASM-JSGCOSHPSA-N 1 0 392.529 1.616 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnco1 ZINC001573811040 949585680 /nfs/dbraw/zinc/58/56/80/949585680.db2.gz HBWYKIWLKKRPCR-OAHLLOKOSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C1=CCOCC1 ZINC001573811562 949601057 /nfs/dbraw/zinc/60/10/57/949601057.db2.gz LRPCNUPCMMLIFH-KRWDZBQOSA-N 1 0 384.484 1.834 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cn[nH]n1 ZINC001573811524 949601984 /nfs/dbraw/zinc/60/19/84/949601984.db2.gz LBTMDBCEIHDOTE-CQSZACIVSA-N 1 0 387.423 1.058 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574957348 949609403 /nfs/dbraw/zinc/60/94/03/949609403.db2.gz VPJBBIPQHALBSX-XTENKEOPSA-N 1 0 382.468 1.227 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2=CCOCC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575874487 949612886 /nfs/dbraw/zinc/61/28/86/949612886.db2.gz SQVXNNJLGKBJCD-KSSFIOAISA-N 1 0 382.468 1.683 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ncccn1 ZINC001573812820 949621552 /nfs/dbraw/zinc/62/15/52/949621552.db2.gz UVQBRRWYFIIHTL-OAHLLOKOSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1csnn1 ZINC001573812883 949626627 /nfs/dbraw/zinc/62/66/27/949626627.db2.gz VRIHACHBVBUDSN-LBPRGKRZSA-N 1 0 392.514 1.714 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574957715 949628039 /nfs/dbraw/zinc/62/80/39/949628039.db2.gz GOZCKHKWMBGWBU-GRZALLJUSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(c2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001575272094 949632320 /nfs/dbraw/zinc/63/23/20/949632320.db2.gz NITXLWBBXZMRPQ-QWHCGFSZSA-N 1 0 390.467 1.074 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714861 949637470 /nfs/dbraw/zinc/63/74/70/949637470.db2.gz GZEUWRDZCXWHQV-DZGCQCFKSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574715136 949642906 /nfs/dbraw/zinc/64/29/06/949642906.db2.gz BONSSQKULYEFMN-KGLIPLIRSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)CCCc1ccccn1 ZINC001575273257 949660755 /nfs/dbraw/zinc/66/07/55/949660755.db2.gz UZSQQXVNEPFFCF-KGLIPLIRSA-N 1 0 380.456 1.407 20 0 GDADRO C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCO1 ZINC001574477618 949666564 /nfs/dbraw/zinc/66/65/64/949666564.db2.gz SOVYYERWXMHHQY-YJBOKZPZSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574715829 949669382 /nfs/dbraw/zinc/66/93/82/949669382.db2.gz KWEROKJMMKJJBZ-HIFRSBDPSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001575879282 949685021 /nfs/dbraw/zinc/68/50/21/949685021.db2.gz QAFPZZQYJIJEAW-ZFWWWQNUSA-N 1 0 387.463 1.575 20 0 GDADRO C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1nccnc1-c1nn[nH]n1 ZINC001576170148 949707741 /nfs/dbraw/zinc/70/77/41/949707741.db2.gz JJXZMXVROOKSRD-KBPBESRZSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574959409 949713218 /nfs/dbraw/zinc/71/32/18/949713218.db2.gz RKMFHAVHUVKAML-APHBMKBZSA-N 1 0 380.456 1.330 20 0 GDADRO C[C@H](NC(=O)CCc1c[nH]cn1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575276868 949737795 /nfs/dbraw/zinc/73/77/95/949737795.db2.gz MFAUMZSLQJIFSO-ZDUSSCGKSA-N 1 0 380.456 1.159 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@@H]1CCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574717831 949746625 /nfs/dbraw/zinc/74/66/25/949746625.db2.gz QQQIZDMLZHXTKQ-HIFRSBDPSA-N 1 0 390.463 1.902 20 0 GDADRO CC1(C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)CCOCC1 ZINC001575558793 949747378 /nfs/dbraw/zinc/74/73/78/949747378.db2.gz RZPLXTXTFSXMBJ-QGZVFWFLSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2CC23CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC3)CCOC1 ZINC001575559345 949754301 /nfs/dbraw/zinc/75/43/01/949754301.db2.gz BHFURIHZSKRENJ-CRAIPNDOSA-N 1 0 383.456 1.163 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CNc1cccc(F)c1-c1nn[nH]n1 ZINC001574963789 949760363 /nfs/dbraw/zinc/76/03/63/949760363.db2.gz NFNXBWBPUOTELY-IHRRRGAJSA-N 1 0 389.479 1.900 20 0 GDADRO C[C@H](NC(=O)CCc1cnccn1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277920 949761128 /nfs/dbraw/zinc/76/11/28/949761128.db2.gz SOODKSYKSAMYMR-AWEZNQCLSA-N 1 0 392.467 1.226 20 0 GDADRO C[C@@H](NC(=O)CCc1ccon1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575278244 949765708 /nfs/dbraw/zinc/76/57/08/949765708.db2.gz ULDAVULWLJVOOO-CYBMUJFWSA-N 1 0 381.440 1.424 20 0 GDADRO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1nccnc1-c1nn[nH]n1 ZINC001576171454 949765925 /nfs/dbraw/zinc/76/59/25/949765925.db2.gz QPJJQHOKBDHQIY-KBPBESRZSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@@H](NC(=O)CCc1ncccn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575279190 949772275 /nfs/dbraw/zinc/77/22/75/949772275.db2.gz WYKWOACWAHRRPC-CQSZACIVSA-N 1 0 392.467 1.226 20 0 GDADRO C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574965260 949795910 /nfs/dbraw/zinc/79/59/10/949795910.db2.gz DWHWSVJHWRHCAB-LLVKDONJSA-N 1 0 383.460 1.182 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1c[nH]cn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574720779 949805859 /nfs/dbraw/zinc/80/58/59/949805859.db2.gz HCXKIGFSIADICD-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574139292 949811684 /nfs/dbraw/zinc/81/16/84/949811684.db2.gz JKGBBSPLOVMLIQ-LIRRHRJNSA-N 1 0 389.504 1.434 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1nccn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574723989 949861143 /nfs/dbraw/zinc/86/11/43/949861143.db2.gz DLLODHGNLFOJFA-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1nccn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574723988 949861241 /nfs/dbraw/zinc/86/12/41/949861241.db2.gz DLLODHGNLFOJFA-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1cnccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574724607 949869343 /nfs/dbraw/zinc/86/93/43/949869343.db2.gz IGPQEHYKZPBZQB-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccncn2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576178379 949887590 /nfs/dbraw/zinc/88/75/90/949887590.db2.gz BCUGVIAYBHFKDH-KDOFPFPSSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1cn[nH]c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574725062 949888739 /nfs/dbraw/zinc/88/87/39/949888739.db2.gz OLVRPPDMCNCVLM-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ncc[nH]2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576180190 949942735 /nfs/dbraw/zinc/94/27/35/949942735.db2.gz NKXOUIGKAFEZNH-CJNGLKHVSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cnccn2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576180421 949955682 /nfs/dbraw/zinc/95/56/82/949955682.db2.gz HSLYHWWSMKFTAP-KSSFIOAISA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H](CN(C)C(=O)COc1ccccc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574727294 949962137 /nfs/dbraw/zinc/96/21/37/949962137.db2.gz RJSGHSDVOJYGAJ-HNNXBMFYSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576180795 949968728 /nfs/dbraw/zinc/96/87/28/949968728.db2.gz IZSMFOYYMDISOL-RISCZKNCSA-N 1 0 387.469 1.947 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CCCC1CCOCC1 ZINC001574974407 949982916 /nfs/dbraw/zinc/98/29/16/949982916.db2.gz PVWNDMDODBYHHK-ZDUSSCGKSA-N 1 0 375.477 1.452 20 0 GDADRO CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCC1 ZINC001575572929 949984027 /nfs/dbraw/zinc/98/40/27/949984027.db2.gz JQIRARCONXXTQY-ZDUSSCGKSA-N 1 0 376.436 1.153 20 0 GDADRO C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576181325 949996472 /nfs/dbraw/zinc/99/64/72/949996472.db2.gz TUTAASNBEKMWTM-NWDGAFQWSA-N 1 0 391.426 1.625 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574728781 950008315 /nfs/dbraw/zinc/00/83/15/950008315.db2.gz JNOJSCNJPYREBL-JTQLQIEISA-N 1 0 377.499 1.564 20 0 GDADRO CC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCCC1 ZINC001575574663 950027015 /nfs/dbraw/zinc/02/70/15/950027015.db2.gz XLEVANOFIXHOEA-CYBMUJFWSA-N 1 0 376.436 1.153 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccon1 ZINC001574150263 950027331 /nfs/dbraw/zinc/02/73/31/950027331.db2.gz AVDJITUESSPEAI-AWEZNQCLSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1c[nH]cn1 ZINC001574150291 950027495 /nfs/dbraw/zinc/02/74/95/950027495.db2.gz AZDCPEYFSQMJPJ-ZDUSSCGKSA-N 1 0 388.501 1.515 20 0 GDADRO CC(C)C[C@@H](C[NH2+]CC1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151024 950048390 /nfs/dbraw/zinc/04/83/90/950048390.db2.gz JTVMUSNKWPRVKG-AWEZNQCLSA-N 1 0 375.477 1.356 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CC1(O)CCC1 ZINC001574151432 950073043 /nfs/dbraw/zinc/07/30/43/950073043.db2.gz RBPBFIXOQKGUPD-KRWDZBQOSA-N 1 0 386.500 1.792 20 0 GDADRO CC1(C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCC2)CCOCC1 ZINC001575577335 950080017 /nfs/dbraw/zinc/08/00/17/950080017.db2.gz VDGAXOPULHDOFU-UHFFFAOYSA-N 1 0 384.484 1.812 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cn[nH]c1 ZINC001574151475 950080451 /nfs/dbraw/zinc/08/04/51/950080451.db2.gz SMUCWHXWXMHDPK-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573836840 950097610 /nfs/dbraw/zinc/09/76/10/950097610.db2.gz 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CC1(C)C(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1(C)C ZINC001575617944 950603221 /nfs/dbraw/zinc/60/32/21/950603221.db2.gz DWSHTYHNIUBUNK-LBPRGKRZSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccccc1O)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574759036 950626883 /nfs/dbraw/zinc/62/68/83/950626883.db2.gz JUENPFULNZJSRG-GFCCVEGCSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)no1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575001646 950638837 /nfs/dbraw/zinc/63/88/37/950638837.db2.gz XHHWPIUSXVOUNV-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001573873353 950644550 /nfs/dbraw/zinc/64/45/50/950644550.db2.gz KKJYVRLFYHFJCS-HALDLXJZSA-N 1 0 388.447 1.367 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574518258 950652355 /nfs/dbraw/zinc/65/23/55/950652355.db2.gz MWSJYOGDDNIBQC-SCNOPHJPSA-N 1 0 384.484 1.809 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573873624 950652756 /nfs/dbraw/zinc/65/27/56/950652756.db2.gz UZSJSNDWDSTKEF-HDJSIYSDSA-N 1 0 390.463 1.805 20 0 GDADRO CC1(C)CC(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001575625104 950679511 /nfs/dbraw/zinc/67/95/11/950679511.db2.gz ONGMTNHOJLHKGP-QGZVFWFLSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccncc1Cl ZINC001575926310 950705773 /nfs/dbraw/zinc/70/57/73/950705773.db2.gz JDMRQGXDRNJHCG-YGRLFVJLSA-N 1 0 384.831 1.447 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnn(CCF)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574763655 950727653 /nfs/dbraw/zinc/72/76/53/950727653.db2.gz HIQAHVDGYORVMP-CYBMUJFWSA-N 1 0 386.435 1.283 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)CC1 ZINC001576216474 950736631 /nfs/dbraw/zinc/73/66/31/950736631.db2.gz ZZHRQQFPGBDKIK-HDJSIYSDSA-N 1 0 387.463 1.797 20 0 GDADRO CC1(C)CC(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001575629550 950738411 /nfs/dbraw/zinc/73/84/11/950738411.db2.gz PBLJKAPHPOGJQY-FQEVSTJZSA-N 1 0 384.484 1.356 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001573880225 950742723 /nfs/dbraw/zinc/74/27/23/950742723.db2.gz UKKRSYCVXLQXJU-VQHPVUNQSA-N 1 0 384.484 1.210 20 0 GDADRO CC(C)n1cc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)cn1 ZINC001574764021 950744798 /nfs/dbraw/zinc/74/47/98/950744798.db2.gz PAQXAKGPPDPGQO-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccn2nccc12 ZINC001575927772 950755440 /nfs/dbraw/zinc/75/54/40/950755440.db2.gz UCNJCLSLHPOFLD-WFASDCNBSA-N 1 0 389.423 1.046 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnn2c1CCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574764802 950760102 /nfs/dbraw/zinc/76/01/02/950760102.db2.gz YVFISLYWLPRUPP-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574764771 950762411 /nfs/dbraw/zinc/76/24/11/950762411.db2.gz YAGJSUQRBABGKQ-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(F)F)C[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576217713 950768972 /nfs/dbraw/zinc/76/89/72/950768972.db2.gz ITMXWWHBKVGKKN-GXFFZTMASA-N 1 0 382.390 1.845 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575928117 950771869 /nfs/dbraw/zinc/77/18/69/950771869.db2.gz YWTXFNZKNDZSCE-ABAIWWIYSA-N 1 0 391.439 1.066 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1cncs1 ZINC001575928131 950777422 /nfs/dbraw/zinc/77/74/22/950777422.db2.gz YZBNRBAYTWRVEY-RISCZKNCSA-N 1 0 384.469 1.174 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575632136 950789867 /nfs/dbraw/zinc/78/98/67/950789867.db2.gz BJNYFZKIEFULFR-OAHLLOKOSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575930199 950792751 /nfs/dbraw/zinc/79/27/51/950792751.db2.gz DXRMHQFDEQLTEJ-SMDDNHRTSA-N 1 0 388.451 1.144 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001575009806 950796675 /nfs/dbraw/zinc/79/66/75/950796675.db2.gz WYLSJNPDSHDLKQ-NHYWBVRUSA-N 1 0 383.431 1.977 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCn1cccn1 ZINC001574522837 950805236 /nfs/dbraw/zinc/80/52/36/950805236.db2.gz LHUMQAHXYLVNKM-HUUCEWRRSA-N 1 0 382.472 1.526 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1ccc[nH]1 ZINC001574523428 950811071 /nfs/dbraw/zinc/81/10/71/950811071.db2.gz NMFWAIGLPKHLHD-QWHCGFSZSA-N 1 0 385.447 1.950 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCn1ccnc1 ZINC001574523683 950822393 /nfs/dbraw/zinc/82/23/93/950822393.db2.gz PFZMAEIHDBQAGL-LSDHHAIUSA-N 1 0 382.472 1.526 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CC1OCCCO1 ZINC001574523676 950824441 /nfs/dbraw/zinc/82/44/41/950824441.db2.gz PDODMTWBDCVURE-KBPBESRZSA-N 1 0 388.472 1.393 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1cc[nH]n1 ZINC001574523837 950837115 /nfs/dbraw/zinc/83/71/15/950837115.db2.gz RBICFOUBVRLQFQ-NWDGAFQWSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C1(F)CCOCC1 ZINC001574523923 950840866 /nfs/dbraw/zinc/84/08/66/950840866.db2.gz SFPSHOSVQBSTQI-ZIAGYGMSSA-N 1 0 390.463 1.758 20 0 GDADRO CC1(C)CC(C[NH2+]CC2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCOCC2)C1 ZINC001575638673 950843976 /nfs/dbraw/zinc/84/39/76/950843976.db2.gz IEIWKLDDNRLNBZ-UHFFFAOYSA-N 1 0 387.488 1.500 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCc1ccon1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574524150 950845380 /nfs/dbraw/zinc/84/53/80/950845380.db2.gz UCRYOVWJEXYUFT-KGLIPLIRSA-N 1 0 383.456 1.860 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ncc[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574524132 950845939 /nfs/dbraw/zinc/84/59/39/950845939.db2.gz UCKZVPIZIBWWKF-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO CC(C)(C)c1ocnc1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573887508 950850706 /nfs/dbraw/zinc/85/07/06/950850706.db2.gz FPNOTNBMLRWJDE-NSHDSACASA-N 1 0 382.428 1.296 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC001575011281 950855563 /nfs/dbraw/zinc/85/55/63/950855563.db2.gz OEZCWURWXXEPHP-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO CC1(C)CC(C[NH2+][C@]2(CO)CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575639054 950858751 /nfs/dbraw/zinc/85/87/51/950858751.db2.gz ODHRXUMYOGSPIS-LJQANCHMSA-N 1 0 387.488 1.188 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cncn1C ZINC001574524464 950862068 /nfs/dbraw/zinc/86/20/68/950862068.db2.gz WTCVIMXBAXXTQO-KBPBESRZSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576222089 950863156 /nfs/dbraw/zinc/86/31/56/950863156.db2.gz XGJIFZDORRARPS-GUYCJALGSA-N 1 0 392.467 1.315 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CC1(O)CCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574524873 950878572 /nfs/dbraw/zinc/87/85/72/950878572.db2.gz ZWGJQOICFLUQMB-OLZOCXBDSA-N 1 0 390.463 1.684 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncccc1O)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574768595 950895835 /nfs/dbraw/zinc/89/58/35/950895835.db2.gz ZSPRMYFVJRHOBC-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccnnc1 ZINC001574527737 950906421 /nfs/dbraw/zinc/90/64/21/950906421.db2.gz GPYXKESDLADMFO-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO CC(C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001574190611 950917616 /nfs/dbraw/zinc/91/76/16/950917616.db2.gz ZGZGFEDRVXNWKJ-GJZGRUSLSA-N 1 0 392.529 1.806 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)cc(F)c1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771647 950933108 /nfs/dbraw/zinc/93/31/08/950933108.db2.gz ILTYYOZKFLKBMH-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ncccc1O ZINC001574528643 950936001 /nfs/dbraw/zinc/93/60/01/950936001.db2.gz NVAHAJZFQCNNOR-QWHCGFSZSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccn(C)n1 ZINC001574528702 950937428 /nfs/dbraw/zinc/93/74/28/950937428.db2.gz OBZFEKCXXACGCB-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cn(C)cn1 ZINC001574529001 950941426 /nfs/dbraw/zinc/94/14/26/950941426.db2.gz OZCPDFIIROKHRA-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[N@H+](C)CCc1c(F)cccc1F)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574771835 950944515 /nfs/dbraw/zinc/94/45/15/950944515.db2.gz LBXMOIOULDUJRY-LLVKDONJSA-N 1 0 389.410 1.766 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccncn1 ZINC001574529980 950964210 /nfs/dbraw/zinc/96/42/10/950964210.db2.gz RYZCFFLOIBKBBY-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001575016940 950967325 /nfs/dbraw/zinc/96/73/25/950967325.db2.gz DAEZMCFSYRGSHX-SNVBAGLBSA-N 1 0 375.383 1.424 20 0 GDADRO C[C@@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001574772410 950967684 /nfs/dbraw/zinc/96/76/84/950967684.db2.gz SMPOIHITXWAJKW-ZDUSSCGKSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnsn1 ZINC001574530029 950968834 /nfs/dbraw/zinc/96/88/34/950968834.db2.gz SLGSDCAQNOZDQY-NXEZZACHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@@H](C[N@H+](C)CCOc1ccccc1F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574772730 950975504 /nfs/dbraw/zinc/97/55/04/950975504.db2.gz UOOPYJOFLZTXCE-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001575938799 950992608 /nfs/dbraw/zinc/99/26/08/950992608.db2.gz NFQUJBFNSNQXJN-JKSUJKDBSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@]1(C)CCCOC1 ZINC001574773952 950996845 /nfs/dbraw/zinc/99/68/45/950996845.db2.gz AASDPRAUTQUIIZ-BFUOFWGJSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccnn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574530822 951001013 /nfs/dbraw/zinc/00/10/13/951001013.db2.gz XNHIDSFLIRFZDG-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ncccn1 ZINC001574530881 951007913 /nfs/dbraw/zinc/00/79/13/951007913.db2.gz YEUBZJQYBROHNN-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(F)cn1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575024648 951109945 /nfs/dbraw/zinc/10/99/45/951109945.db2.gz JYQMBYPKNNCXCZ-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575024683 951111828 /nfs/dbraw/zinc/11/18/28/951111828.db2.gz KRSCNDWGELYUCI-CYBMUJFWSA-N 1 0 377.452 1.650 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575025060 951122879 /nfs/dbraw/zinc/12/28/79/951122879.db2.gz TYVVHYKRVVKIKH-CQSZACIVSA-N 1 0 391.479 1.767 20 0 GDADRO C[C@@H](CNC(=O)c1ccncc1F)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575034587 951250213 /nfs/dbraw/zinc/25/02/13/951250213.db2.gz NZFCXPBQSHPRIK-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575040059 951336255 /nfs/dbraw/zinc/33/62/55/951336255.db2.gz TVIMJUGGJUPNPD-LBPRGKRZSA-N 1 0 383.460 1.121 20 0 GDADRO C[C@H](CNC(=O)c1cncc(C(F)(F)F)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575045364 951424490 /nfs/dbraw/zinc/42/44/90/951424490.db2.gz AVVXKCONPXGREC-SECBINFHSA-N 1 0 392.345 1.328 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575051974 951456082 /nfs/dbraw/zinc/45/60/82/951456082.db2.gz CLNJDIRQBDUXAF-LLVKDONJSA-N 1 0 388.501 1.788 20 0 GDADRO CC(C)n1ncc(C(=O)NC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)c1Cl ZINC001575052409 951463074 /nfs/dbraw/zinc/46/30/74/951463074.db2.gz ISFBWSNMZMUFTK-JTQLQIEISA-N 1 0 389.851 1.345 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575054203 951488539 /nfs/dbraw/zinc/48/85/39/951488539.db2.gz XKPXPOMATFWLHB-JTQLQIEISA-N 1 0 390.398 1.446 20 0 GDADRO C[C@H](CNC(=O)c1cnns1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575054283 951490902 /nfs/dbraw/zinc/49/09/02/951490902.db2.gz HSMMOLIQJBFGSR-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CCF)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575054606 951493137 /nfs/dbraw/zinc/49/31/37/951493137.db2.gz JBPWRGZPLCSWGT-NSHDSACASA-N 1 0 392.464 1.345 20 0 GDADRO C[C@H](CNC(=O)c1nccs1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575066102 951592027 /nfs/dbraw/zinc/59/20/27/951592027.db2.gz FHYJAPGTZUVBOV-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1noc2c1CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575066967 951602636 /nfs/dbraw/zinc/60/26/36/951602636.db2.gz ODKKQTOYKRIPIU-LLVKDONJSA-N 1 0 382.428 1.383 20 0 GDADRO C[C@H](CNC(=O)c1noc2c1CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067268 951606728 /nfs/dbraw/zinc/60/67/28/951606728.db2.gz PVUPKVMEBUFMGN-GFCCVEGCSA-N 1 0 381.440 1.642 20 0 GDADRO C[C@H](CNC(=O)c1occ2c1CCOC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575067414 951611577 /nfs/dbraw/zinc/61/15/77/951611577.db2.gz SEIIQWKFBMXTPQ-GFCCVEGCSA-N 1 0 382.424 1.441 20 0 GDADRO C[C@@H](CNC(=O)c1nn(C)cc1Cl)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067639 951618791 /nfs/dbraw/zinc/61/87/91/951618791.db2.gz WUZAHDGVTAQUIV-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077135 951661713 /nfs/dbraw/zinc/66/17/13/951661713.db2.gz CYOVSACTWAJTSC-HXPMCKFVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](CNC(=O)c1cnns1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077205 951664226 /nfs/dbraw/zinc/66/42/26/951664226.db2.gz ALSLGAFONFCNHL-VIFPVBQESA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@H](CNC(=O)[C@@]1(C)CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078437 951681746 /nfs/dbraw/zinc/68/17/46/951681746.db2.gz LNIMTYHMPRYZNU-XIKOKIGWSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCC1(F)F)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078949 951686238 /nfs/dbraw/zinc/68/62/38/951686238.db2.gz OFFULVNFCPWIFD-QMTHXVAHSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CCc1ccon1 ZINC001575078964 951686485 /nfs/dbraw/zinc/68/64/85/951686485.db2.gz BRKSEHQHQSVSHW-LBPRGKRZSA-N 1 0 387.419 1.563 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1(C)CCOCC1 ZINC001575079053 951687206 /nfs/dbraw/zinc/68/72/06/951687206.db2.gz OYYCOHWIYVICIR-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H](C)n1cccn1 ZINC001575079581 951693969 /nfs/dbraw/zinc/69/39/69/951693969.db2.gz RQOROJQRLOOZSB-OLZOCXBDSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](CNC(=O)CC1CCOCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079681 951694518 /nfs/dbraw/zinc/69/45/18/951694518.db2.gz NKUHZQKOXZPAIZ-ZDUSSCGKSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)CCn1cccc1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080750 951714549 /nfs/dbraw/zinc/71/45/49/951714549.db2.gz ZFBJHSSMLOJJEI-AWEZNQCLSA-N 1 0 385.447 1.740 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCC1(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080827 951716724 /nfs/dbraw/zinc/71/67/24/951716724.db2.gz NSOQGIYBBDPIAI-MFKMUULPSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575081174 951720421 /nfs/dbraw/zinc/72/04/21/951720421.db2.gz PDOHDZDKOFUOJC-SWLSCSKDSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](CNC(=O)CC[C@@H]1CCCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082356 951732333 /nfs/dbraw/zinc/73/23/33/951732333.db2.gz XPBCWIOWCWOERO-BBRMVZONSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1cnns1 ZINC001575082879 951738142 /nfs/dbraw/zinc/73/81/42/951738142.db2.gz YXYWPLIRTZJFQU-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088594 951741216 /nfs/dbraw/zinc/74/12/16/951741216.db2.gz BTJURDPYJIUYIK-ZDUSSCGKSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001575088723 951743277 /nfs/dbraw/zinc/74/32/77/951743277.db2.gz BSAQCHUXVDSZTI-KRWDZBQOSA-N 1 0 386.485 1.269 20 0 GDADRO C[C@H](CNC(=O)c1cncs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090712 951763102 /nfs/dbraw/zinc/76/31/02/951763102.db2.gz NMNYWWYWZQLGKQ-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](CNC(=O)c1cc(F)c[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090671 951763121 /nfs/dbraw/zinc/76/31/21/951763121.db2.gz NDQINRFRAKBNAK-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)COC1CCCC1 ZINC001575090669 951763839 /nfs/dbraw/zinc/76/38/39/951763839.db2.gz LAQRAAJJTSRRAA-CYBMUJFWSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CCn1ccnc1 ZINC001575091129 951769673 /nfs/dbraw/zinc/76/96/73/951769673.db2.gz NVDBHNNMPIYCIP-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccsn1 ZINC001575091237 951771300 /nfs/dbraw/zinc/77/13/00/951771300.db2.gz QHARLFIWIUXZOF-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091462 951777324 /nfs/dbraw/zinc/77/73/24/951777324.db2.gz RROZLTKOTYFDRX-XWIAVFTESA-N 1 0 384.484 1.524 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cscn1 ZINC001575091613 951780874 /nfs/dbraw/zinc/78/08/74/951780874.db2.gz SOYLAQDKUUKRMT-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)c1ncc[nH]1)C1CC1 ZINC001575091729 951782406 /nfs/dbraw/zinc/78/24/06/951782406.db2.gz WZXRLLHQKXPPSF-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)COCC1CC1 ZINC001575091866 951785969 /nfs/dbraw/zinc/78/59/69/951785969.db2.gz WFQRZLQTQYBKKI-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091949 951787097 /nfs/dbraw/zinc/78/70/97/951787097.db2.gz ZNQFEFYDJXOEPY-CWTRNNRKSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1ccn(C)n1 ZINC001575092128 951789280 /nfs/dbraw/zinc/78/92/80/951789280.db2.gz ACKAKISESWDYBY-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](CNC(=O)c1nn(C)cc1Cl)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093402 951798638 /nfs/dbraw/zinc/79/86/38/951798638.db2.gz IMMVWSYVOQQCJJ-LLVKDONJSA-N 1 0 388.863 1.409 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575093851 951803083 /nfs/dbraw/zinc/80/30/83/951803083.db2.gz LEXSCFSBOXHMRO-KBXCAEBGSA-N 1 0 392.463 1.979 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095545 951812969 /nfs/dbraw/zinc/81/29/69/951812969.db2.gz VGBUOWNGTDDKDF-JTQLQIEISA-N 1 0 390.398 1.683 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1OCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095786 951815971 /nfs/dbraw/zinc/81/59/71/951815971.db2.gz WQTWCXJKXNKHES-CQSZACIVSA-N 1 0 392.463 1.957 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CC1CCOCC1 ZINC001575099870 951839866 /nfs/dbraw/zinc/83/98/66/951839866.db2.gz PQOKBJUSYYSDJB-LBPRGKRZSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100067 951841280 /nfs/dbraw/zinc/84/12/80/951841280.db2.gz QOGNJCRAZBHLAZ-NEPJUHHUSA-N 1 0 388.501 1.372 20 0 GDADRO C[C@H](CNC(=O)C1CCC(O)CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100141 951842208 /nfs/dbraw/zinc/84/22/08/951842208.db2.gz RALDPRIAFUOEFT-HIFPTAJRSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@@H](CNC(=O)[C@@H](C)c1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100800 951847637 /nfs/dbraw/zinc/84/76/37/951847637.db2.gz VGZFBRNMSCUKJK-OLZOCXBDSA-N 1 0 385.497 1.969 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1cncn1C ZINC001575101070 951854024 /nfs/dbraw/zinc/85/40/24/951854024.db2.gz YWLZBLYYDWURDE-LBPRGKRZSA-N 1 0 388.501 1.231 20 0 GDADRO C[C@H](CNC(=O)Cc1cscn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101475 951860108 /nfs/dbraw/zinc/86/01/08/951860108.db2.gz FJGZJPYHNNGHEF-NSHDSACASA-N 1 0 389.460 1.547 20 0 GDADRO C[C@H](CNC(=O)c1ccsn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102986 951872340 /nfs/dbraw/zinc/87/23/40/951872340.db2.gz PWHMYXLATMOWHE-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](CNC(=O)C1CC(F)(F)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103823 951877873 /nfs/dbraw/zinc/87/78/73/951877873.db2.gz WIMPRWXWZWNNFP-SNVBAGLBSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1cncs1 ZINC001575104924 951890015 /nfs/dbraw/zinc/89/00/15/951890015.db2.gz HBKFPMZPDCHQLJ-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1ccccn1)C1CC1 ZINC001575105407 951893872 /nfs/dbraw/zinc/89/38/72/951893872.db2.gz IZLGGVFMCILIOF-HXUWFJFHSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575106219 951902187 /nfs/dbraw/zinc/90/21/87/951902187.db2.gz RDVNSZDYXITSRN-IYDIDCQVSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001575106823 951908257 /nfs/dbraw/zinc/90/82/57/951908257.db2.gz VDBLJEFUOGGKBY-YLJYHZDGSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)o1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109224 951928026 /nfs/dbraw/zinc/92/80/26/951928026.db2.gz PSOWGGPFRYBDHM-GFCCVEGCSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575109723 951933974 /nfs/dbraw/zinc/93/39/74/951933974.db2.gz UGDIGGISWGUYOL-KDOFPFPSSA-N 1 0 391.479 1.928 20 0 GDADRO C[C@H](CNC(=O)c1c(Cl)cnn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110336 951939272 /nfs/dbraw/zinc/93/92/72/951939272.db2.gz ZIOBRBKGOWPHHS-NSHDSACASA-N 1 0 388.863 1.409 20 0 GDADRO C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001575113666 951943471 /nfs/dbraw/zinc/94/34/71/951943471.db2.gz CWUDYAOWTWMTAX-HUUCEWRRSA-N 1 0 382.472 1.556 20 0 GDADRO C[C@H](CNC(=O)c1c(F)cncc1F)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113754 951945094 /nfs/dbraw/zinc/94/50/94/951945094.db2.gz FORACJNXJSLXHE-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575114809 951961523 /nfs/dbraw/zinc/96/15/23/951961523.db2.gz UEPLKQRLJFHPTM-WMLDXEAASA-N 1 0 376.411 1.896 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115096 951962028 /nfs/dbraw/zinc/96/20/28/951962028.db2.gz UMQPFKADVVJKOX-ZDUSSCGKSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@@H](C[NH2+]Cc1cnc(Cl)s1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575116624 951972135 /nfs/dbraw/zinc/97/21/35/951972135.db2.gz GPOYATVIVTUHOZ-QMMMGPOBSA-N 1 0 380.865 1.555 20 0 GDADRO CC(C)c1nnc(C[NH2+]C[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)s1 ZINC001575118154 951984277 /nfs/dbraw/zinc/98/42/77/951984277.db2.gz QKRZWPYTQPELOE-SNVBAGLBSA-N 1 0 389.489 1.325 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001575118776 951985908 /nfs/dbraw/zinc/98/59/08/951985908.db2.gz SVDNUABHZLTNAE-NSHDSACASA-N 1 0 386.460 1.636 20 0 GDADRO C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575121521 951996590 /nfs/dbraw/zinc/99/65/90/951996590.db2.gz FULUSHAROUNYQN-AWEZNQCLSA-N 1 0 386.504 1.785 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575144248 952163923 /nfs/dbraw/zinc/16/39/23/952163923.db2.gz HHMJRZHSDNTVER-KRWDZBQOSA-N 1 0 386.847 1.676 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575145130 952178006 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PYIOQFGEORFLAF-BDAKNGLRSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001575166014 952320153 /nfs/dbraw/zinc/32/01/53/952320153.db2.gz RZNDLIXBIFMDIS-NSHDSACASA-N 1 0 392.895 1.658 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001575166216 952321871 /nfs/dbraw/zinc/32/18/71/952321871.db2.gz SZTQLECOXWLPCK-FZMZJTMJSA-N 1 0 392.895 1.658 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(=O)[O-])CC2)C12CCOCC2 ZINC001602902551 971825628 /nfs/dbraw/zinc/82/56/28/971825628.db2.gz BUUIHJOPXUUICK-HZPDHXFCSA-N 1 0 397.516 1.587 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC[C@@H]12 ZINC001571117653 952482880 /nfs/dbraw/zinc/48/28/80/952482880.db2.gz OFUHDWQSVBHFNB-CDHAZOANSA-N 1 0 375.452 1.917 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571120398 952501529 /nfs/dbraw/zinc/50/15/29/952501529.db2.gz MLRLLLIUPQMOIT-CABCVRRESA-N 1 0 376.411 1.993 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575201870 952508939 /nfs/dbraw/zinc/50/89/39/952508939.db2.gz RWCREXOMJACRMG-SDDRHHMPSA-N 1 0 386.485 1.267 20 0 GDADRO CS[C@H](C)C(=O)N1CCC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571120984 952513467 /nfs/dbraw/zinc/51/34/67/952513467.db2.gz TYFRMNGPPNNTOF-OLZOCXBDSA-N 1 0 375.502 1.688 20 0 GDADRO CO[C@@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571121670 952520405 /nfs/dbraw/zinc/52/04/05/952520405.db2.gz BKAYZWKDICXXDI-JSGCOSHPSA-N 1 0 376.436 1.511 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121735 952522385 /nfs/dbraw/zinc/52/23/85/952522385.db2.gz CITMEISBAGJWLQ-BNOWGMLFSA-N 1 0 376.486 1.434 20 0 GDADRO CC(F)(F)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)c(F)c1)C2 ZINC001575205873 952526348 /nfs/dbraw/zinc/52/63/48/952526348.db2.gz FRVIHUROZQUALF-UHFFFAOYSA-N 1 0 380.374 1.695 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)c1ccnnc1 ZINC001571122807 952526777 /nfs/dbraw/zinc/52/67/77/952526777.db2.gz LPULTGAWJJKSRD-IKGGRYGDSA-N 1 0 376.424 1.192 20 0 GDADRO CC(F)(F)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(-c3nn[nH]n3)ccc1F)C2 ZINC001575205731 952526786 /nfs/dbraw/zinc/52/67/86/952526786.db2.gz CPGJIFDCFHIEPN-UHFFFAOYSA-N 1 0 380.374 1.695 20 0 GDADRO CC(F)(F)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001575205744 952527200 /nfs/dbraw/zinc/52/72/00/952527200.db2.gz DIHFKMOCIZPCRJ-UHFFFAOYSA-N 1 0 382.390 1.989 20 0 GDADRO CO[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571123401 952531079 /nfs/dbraw/zinc/53/10/79/952531079.db2.gz RHMKAEIIDFPYRZ-SWLSCSKDSA-N 1 0 376.436 1.511 20 0 GDADRO O=C([C@H]1C[C@@H]1C(F)F)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571124175 952534810 /nfs/dbraw/zinc/53/48/10/952534810.db2.gz ACYKMTJIAKBGDX-SRVKXCTJSA-N 1 0 377.399 1.235 20 0 GDADRO CC(F)(F)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575210709 952541503 /nfs/dbraw/zinc/54/15/03/952541503.db2.gz GQANWKKZBPWOTH-LLVKDONJSA-N 1 0 382.390 1.989 20 0 GDADRO CC(F)(F)C(=O)NCC[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575211547 952547217 /nfs/dbraw/zinc/54/72/17/952547217.db2.gz TXZJIFDEYIQBBP-NSHDSACASA-N 1 0 382.390 1.989 20 0 GDADRO CC(F)(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]2C1 ZINC001575213343 952557678 /nfs/dbraw/zinc/55/76/78/952557678.db2.gz SLSOFKVSIURJMF-CABCVRRESA-N 1 0 376.411 1.802 20 0 GDADRO CCc1ccnc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571128448 952567439 /nfs/dbraw/zinc/56/74/39/952567439.db2.gz SOJXCZCPAVFCQR-KRWDZBQOSA-N 1 0 377.452 1.828 20 0 GDADRO Cc1cnccc1CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571134156 952586036 /nfs/dbraw/zinc/58/60/36/952586036.db2.gz FJEIOFJVTVBKIL-UKRRQHHQSA-N 1 0 378.440 1.031 20 0 GDADRO Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC001571134257 952588074 /nfs/dbraw/zinc/58/80/74/952588074.db2.gz GOCCNJOMUMXVOI-YVEFUNNKSA-N 1 0 378.440 1.215 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H]2C)nc1C ZINC001571134326 952588249 /nfs/dbraw/zinc/58/82/49/952588249.db2.gz HNBDNMQDVVACED-HIFRSBDPSA-N 1 0 378.440 1.411 20 0 GDADRO Cc1c[nH]nc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571134894 952596071 /nfs/dbraw/zinc/59/60/71/952596071.db2.gz MXKLABGWDJFDLX-PHZGNYQRSA-N 1 0 378.440 1.006 20 0 GDADRO Cc1cc(N2CCC[C@@H](CNC(=O)c3ccccn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134973 952597406 /nfs/dbraw/zinc/59/74/06/952597406.db2.gz OECGBGXBBCRICE-AWEZNQCLSA-N 1 0 378.440 1.612 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571135065 952599889 /nfs/dbraw/zinc/59/98/89/952599889.db2.gz OXMBKOQCTPPORP-DIFFPNOSSA-N 1 0 378.440 1.268 20 0 GDADRO Cc1cnc(C(=O)N2C[C@H](C)[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571135145 952600319 /nfs/dbraw/zinc/60/03/19/952600319.db2.gz SEVTUWMOHLQOSP-XJKSGUPXSA-N 1 0 378.440 1.268 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccncc2)C1 ZINC001571140761 952628403 /nfs/dbraw/zinc/62/84/03/952628403.db2.gz FTKMHNXYTIBRLW-IYBDPMFKSA-N 1 0 379.424 1.321 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C12CCC2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571141002 952630271 /nfs/dbraw/zinc/63/02/71/952630271.db2.gz FHYGLIQFMIQRQK-CVEARBPZSA-N 1 0 378.440 1.421 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)[C@@H](C)C(C)(F)F)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571141225 952632069 /nfs/dbraw/zinc/63/20/69/952632069.db2.gz WMUQRHRKVRXOKE-GLXFQSAKSA-N 1 0 379.415 1.542 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cccnn1 ZINC001571141987 952638258 /nfs/dbraw/zinc/63/82/58/952638258.db2.gz MMLXCHOZLSNPLR-HZPDHXFCSA-N 1 0 378.440 1.488 20 0 GDADRO O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1ccncn1 ZINC001571142319 952640211 /nfs/dbraw/zinc/64/02/11/952640211.db2.gz OYRSJPONRXHYIQ-GJZGRUSLSA-N 1 0 378.440 1.488 20 0 GDADRO COc1cccnc1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571142438 952642467 /nfs/dbraw/zinc/64/24/67/952642467.db2.gz VUERYOSRYIKPJR-AWEZNQCLSA-N 1 0 379.424 1.275 20 0 GDADRO Cc1c(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)ccn1C ZINC001571150400 952667861 /nfs/dbraw/zinc/66/78/61/952667861.db2.gz ACPGHVKSJSXATQ-KRWDZBQOSA-N 1 0 379.468 1.908 20 0 GDADRO Cc1ccc(CCC[NH+]2CC(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cc1 ZINC001571150677 952670222 /nfs/dbraw/zinc/67/02/22/952670222.db2.gz DUQHDBPJRHVBHE-UHFFFAOYSA-N 1 0 379.468 1.798 20 0 GDADRO CCc1ccccc1CC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571151377 952674826 /nfs/dbraw/zinc/67/48/26/952674826.db2.gz POOQQNHXMNYTLT-QGZVFWFLSA-N 1 0 379.468 1.804 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571152006 952680577 /nfs/dbraw/zinc/68/05/77/952680577.db2.gz AWCZLRJSDUBZQQ-GAJTVXKRSA-N 1 0 380.374 1.598 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3conc3C3CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571158329 952710806 /nfs/dbraw/zinc/71/08/06/952710806.db2.gz HKRFWUATKDQXEU-GFCCVEGCSA-N 1 0 380.412 1.184 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cc2c[nH]cn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165604 952753185 /nfs/dbraw/zinc/75/31/85/952753185.db2.gz GVKKQUMHXAKSAA-CXAGYDPISA-N 1 0 380.456 1.302 20 0 GDADRO CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571166247 952760148 /nfs/dbraw/zinc/76/01/48/952760148.db2.gz KMJCVIJZYFSJKQ-QGZVFWFLSA-N 1 0 380.456 1.478 20 0 GDADRO CC[C@@H]1CN(C(=O)c2ncc[nH]2)CC[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571166504 952762461 /nfs/dbraw/zinc/76/24/61/952762461.db2.gz MOWBEIVARZWIGB-CJNGLKHVSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]cn2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167187 952771334 /nfs/dbraw/zinc/77/13/34/952771334.db2.gz XRPJKNSSCYCGKS-CZUORRHYSA-N 1 0 380.456 1.302 20 0 GDADRO Cn1cc(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001571169344 952772728 /nfs/dbraw/zinc/77/27/28/952772728.db2.gz AEUCHFDZDXGGJT-KRWDZBQOSA-N 1 0 380.456 1.337 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1C ZINC001571169417 952773661 /nfs/dbraw/zinc/77/36/61/952773661.db2.gz BZLGFLDKAYETTP-UONOGXRCSA-N 1 0 380.456 1.293 20 0 GDADRO CCn1nccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169422 952773975 /nfs/dbraw/zinc/77/39/75/952773975.db2.gz CBLVVXYPMQFAIE-MRXNPFEDSA-N 1 0 380.456 1.430 20 0 GDADRO Cc1cn(C)nc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571169487 952775217 /nfs/dbraw/zinc/77/52/17/952775217.db2.gz DUOZYHBPPHUGBO-OAHLLOKOSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1cncn1CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169632 952776329 /nfs/dbraw/zinc/77/63/29/952776329.db2.gz IQKDTSKZOIAJBF-OAHLLOKOSA-N 1 0 380.456 1.010 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]n1 ZINC001571169736 952778058 /nfs/dbraw/zinc/77/80/58/952778058.db2.gz LKKVCVQQOJYHMN-CJNGLKHVSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C)c(C)n1 ZINC001571169790 952778171 /nfs/dbraw/zinc/77/81/71/952778171.db2.gz NKKSVZXTWRRCSF-CJNGLKHVSA-N 1 0 380.456 1.599 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([C@H](C)[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]n1 ZINC001571169735 952778271 /nfs/dbraw/zinc/77/82/71/952778271.db2.gz LKKVCVQQOJYHMN-BBRMVZONSA-N 1 0 380.456 1.539 20 0 GDADRO CN(C)c1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571169904 952780838 /nfs/dbraw/zinc/78/08/38/952780838.db2.gz QEFONBNSRUNBAW-AWEZNQCLSA-N 1 0 380.456 1.265 20 0 GDADRO Cc1cc[nH]c1C(=O)N[C@H]1CC[C@@H](C)N(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571170485 952785878 /nfs/dbraw/zinc/78/58/78/952785878.db2.gz VIJKHVDOTGRJTM-KGLIPLIRSA-N 1 0 380.456 1.994 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571170529 952786667 /nfs/dbraw/zinc/78/66/67/952786667.db2.gz VWUBWPGQODBLAB-UHFFFAOYSA-N 1 0 380.456 1.635 20 0 GDADRO CCn1ccc(C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571170585 952787559 /nfs/dbraw/zinc/78/75/59/952787559.db2.gz WYTVJRDVWKFESR-UHFFFAOYSA-N 1 0 380.456 1.381 20 0 GDADRO O=C(Cc1ncc[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571172357 952805465 /nfs/dbraw/zinc/80/54/65/952805465.db2.gz TVUTVGZDUJZRCS-HZPDHXFCSA-N 1 0 380.456 1.350 20 0 GDADRO O=C(Cc1cc[nH]n1)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571172388 952806776 /nfs/dbraw/zinc/80/67/76/952806776.db2.gz USWUMBDGHYQFJG-GOEBONIOSA-N 1 0 380.456 1.207 20 0 GDADRO Cc1cc(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)ncc1-c1nn[nH]n1 ZINC001571178464 952842267 /nfs/dbraw/zinc/84/22/67/952842267.db2.gz JNSOXVHXUZYVAB-HNNXBMFYSA-N 1 0 381.415 1.366 20 0 GDADRO Cc1nc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)co1 ZINC001571179901 952856848 /nfs/dbraw/zinc/85/68/48/952856848.db2.gz JRIMASVMGKEZRT-CQSZACIVSA-N 1 0 381.440 1.757 20 0 GDADRO Cc1cc(NC[C@]2(C)CCN(C(=O)Cc3ccco3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571179978 952858284 /nfs/dbraw/zinc/85/82/84/952858284.db2.gz LLRUHCRKYPHUBC-IBGZPJMESA-N 1 0 381.440 1.478 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](CNc3cc(C)[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)co1 ZINC001571180439 952860319 /nfs/dbraw/zinc/86/03/19/952860319.db2.gz OLTPKCZJFFEZFW-IAQYHMDHSA-N 1 0 381.440 1.714 20 0 GDADRO Cc1ncoc1C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571181406 952864386 /nfs/dbraw/zinc/86/43/86/952864386.db2.gz WEFLUGHNYUQTED-JKSUJKDBSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1ncoc1C(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571181404 952864876 /nfs/dbraw/zinc/86/48/76/952864876.db2.gz WEFLUGHNYUQTED-HOTGVXAUSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1cnoc1C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571181891 952865942 /nfs/dbraw/zinc/86/59/42/952865942.db2.gz ZIUBGFOQMMLSDS-GOEBONIOSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571181940 952866100 /nfs/dbraw/zinc/86/61/00/952866100.db2.gz ZVJQJFITMRVAJQ-MLGOLLRUSA-N 1 0 381.440 1.804 20 0 GDADRO Cc1noc(C)c1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571181795 952866145 /nfs/dbraw/zinc/86/61/45/952866145.db2.gz YKGLDWGDYVXSDL-LJQANCHMSA-N 1 0 381.440 1.866 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnco2)CC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571182990 952871880 /nfs/dbraw/zinc/87/18/80/952871880.db2.gz LOPXYRXZNDOZPH-CZUORRHYSA-N 1 0 381.440 1.743 20 0 GDADRO O=C(Cc1ncccc1F)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571183177 952874635 /nfs/dbraw/zinc/87/46/35/952874635.db2.gz RNENSEAJIDQDCI-CQSZACIVSA-N 1 0 381.415 1.334 20 0 GDADRO C[C@H](NC(=O)c1nnc[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571183627 952881353 /nfs/dbraw/zinc/88/13/53/952881353.db2.gz GIXQCSKGSNGOSJ-STQMWFEESA-N 1 0 381.444 1.015 20 0 GDADRO CCn1ccnc1C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571185057 952899849 /nfs/dbraw/zinc/89/98/49/952899849.db2.gz HWDSEWATUQWHPM-ZDUSSCGKSA-N 1 0 381.444 1.137 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571188006 952911729 /nfs/dbraw/zinc/91/17/29/952911729.db2.gz FNZLVLOBYHFOGF-ZDUSSCGKSA-N 1 0 381.444 1.200 20 0 GDADRO Cc1cc(NCC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571191737 952948166 /nfs/dbraw/zinc/94/81/66/952948166.db2.gz RWXNHDFYPXWQJR-VNQPRFMTSA-N 1 0 381.484 1.689 20 0 GDADRO Cc1cc(N2CC[C@@](C)(NC(=O)c3cncc(F)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571195733 952979076 /nfs/dbraw/zinc/97/90/76/952979076.db2.gz FNFSQBXKGHYPOJ-GOSISDBHSA-N 1 0 382.403 1.503 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571196363 952981659 /nfs/dbraw/zinc/98/16/59/952981659.db2.gz JMEUEONWDAQXTB-BZNIZROVSA-N 1 0 382.403 1.046 20 0 GDADRO CCc1noc(C)c1C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571199530 953000196 /nfs/dbraw/zinc/00/01/96/953000196.db2.gz UNAQUGLZVZSZIO-TXEJJXNPSA-N 1 0 382.428 1.224 20 0 GDADRO CCc1nc(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)co1 ZINC001571199549 953001742 /nfs/dbraw/zinc/00/17/42/953001742.db2.gz UUCCMSPNNFFGAF-GFCCVEGCSA-N 1 0 382.428 1.259 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@H]1C ZINC001571200469 953008730 /nfs/dbraw/zinc/00/87/30/953008730.db2.gz IWARLRJQKDCVNU-IUODEOHRSA-N 1 0 382.424 1.719 20 0 GDADRO Cc1cnc(C[N@@H+]2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)CC[C@@H]32)o1 ZINC001571201301 953016247 /nfs/dbraw/zinc/01/62/47/953016247.db2.gz JUBKJDNFOLCRKW-WFASDCNBSA-N 1 0 382.428 1.228 20 0 GDADRO Cc1conc1C[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@H]21 ZINC001571201673 953019977 /nfs/dbraw/zinc/01/99/77/953019977.db2.gz MVIQDQGDIXJCSU-BLLLJJGKSA-N 1 0 382.428 1.228 20 0 GDADRO Cc1conc1C[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC001571201674 953020103 /nfs/dbraw/zinc/02/01/03/953020103.db2.gz MVIQDQGDIXJCSU-LRDDRELGSA-N 1 0 382.428 1.228 20 0 GDADRO Cc1nc(C(=O)N[C@@H]2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571202293 953024206 /nfs/dbraw/zinc/02/42/06/953024206.db2.gz SVOXNLYGXSUUJO-CHWSQXEVSA-N 1 0 382.428 1.442 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)on1 ZINC001571202272 953024284 /nfs/dbraw/zinc/02/42/84/953024284.db2.gz SINYQHPFWLNTJB-IAQYHMDHSA-N 1 0 382.428 1.333 20 0 GDADRO Cc1noc(C)c1C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571207385 953062566 /nfs/dbraw/zinc/06/25/66/953062566.db2.gz ZFYNACPOQGUUHN-CYBMUJFWSA-N 1 0 382.428 1.395 20 0 GDADRO C[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571209809 953068004 /nfs/dbraw/zinc/06/80/04/953068004.db2.gz FOLMHCJNHAHEHW-RUGDWHBFSA-N 1 0 382.468 1.467 20 0 GDADRO O=C([C@H]1CCCCO1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001571209873 953068412 /nfs/dbraw/zinc/06/84/12/953068412.db2.gz HLGRJXUENHTRNF-FGTMMUONSA-N 1 0 382.468 1.326 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC34CC4)C2)cc1-c1nn[nH]n1 ZINC001571209987 953069398 /nfs/dbraw/zinc/06/93/98/953069398.db2.gz KVDMSPLPQKEODU-GDBMZVCRSA-N 1 0 382.468 1.756 20 0 GDADRO O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1)C12CCC[NH+]1CCC2 ZINC001571218074 953113150 /nfs/dbraw/zinc/11/31/50/953113150.db2.gz LERVBBBFTANARS-CTYIDZIISA-N 1 0 382.472 1.197 20 0 GDADRO O=C(c1cccc(=O)[nH]1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571218265 953113925 /nfs/dbraw/zinc/11/39/25/953113925.db2.gz UQNMMRXDAXNVJA-LBPRGKRZSA-N 1 0 383.387 1.111 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccon3)C2)cc1-c1nn[nH]n1 ZINC001571219935 953127302 /nfs/dbraw/zinc/12/73/02/953127302.db2.gz UDMOANIGANHDFG-YPMHNXCESA-N 1 0 383.412 1.256 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccncc1Cl ZINC001571234995 953207522 /nfs/dbraw/zinc/20/75/22/953207522.db2.gz PCPLQCMEOARLBO-AWEZNQCLSA-N 1 0 383.843 1.919 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571239389 953238966 /nfs/dbraw/zinc/23/89/66/953238966.db2.gz KAABUFQFVYEBNK-AWEZNQCLSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1c[nH]nc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571239589 953240277 /nfs/dbraw/zinc/24/02/77/953240277.db2.gz NHVXRZJZYGYTID-VDISTLRHSA-N 1 0 384.419 1.336 20 0 GDADRO Cc1cc(C(=O)N2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C)[nH]n1 ZINC001571239761 953243080 /nfs/dbraw/zinc/24/30/80/953243080.db2.gz SEQPNNPXQRQDLP-SMDDNHRTSA-N 1 0 384.419 1.430 20 0 GDADRO O=C(Cc1cc[nH]n1)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571241758 953249966 /nfs/dbraw/zinc/24/99/66/953249966.db2.gz KSYGWFZCEHCYNZ-CQSZACIVSA-N 1 0 384.419 1.052 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCCC[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC001571241844 953250236 /nfs/dbraw/zinc/25/02/36/953250236.db2.gz NAFMIZOIFQYEDZ-HNNXBMFYSA-N 1 0 384.419 1.513 20 0 GDADRO Cn1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571242132 953253056 /nfs/dbraw/zinc/25/30/56/953253056.db2.gz VHTKTRWURPCJDT-VDISTLRHSA-N 1 0 384.419 1.038 20 0 GDADRO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571245533 953274726 /nfs/dbraw/zinc/27/47/26/953274726.db2.gz JVVZSJYHYTZWFH-ZRJZNHTDSA-N 1 0 384.459 1.846 20 0 GDADRO CC1(C)CN(C(=O)c2cnns2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571246375 953282536 /nfs/dbraw/zinc/28/25/36/953282536.db2.gz ZKZYFYSQTSOKAL-AWEZNQCLSA-N 1 0 384.469 1.359 20 0 GDADRO C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC001571247650 953284786 /nfs/dbraw/zinc/28/47/86/953284786.db2.gz BPLLGOSUOHNTJH-NVXWUHKLSA-N 1 0 384.484 1.716 20 0 GDADRO O=C(c1cnsn1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571248158 953290467 /nfs/dbraw/zinc/29/04/67/953290467.db2.gz MKSGQPSBRZHVAM-CQSZACIVSA-N 1 0 384.469 1.503 20 0 GDADRO C[C@@H]1CO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001571248317 953292657 /nfs/dbraw/zinc/29/26/57/953292657.db2.gz QFJXDPLXEOBIJJ-MBGYTDRXSA-N 1 0 384.484 1.809 20 0 GDADRO Cc1ncncc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571248716 953296728 /nfs/dbraw/zinc/29/67/28/953296728.db2.gz YHGSCRIVNGPGJB-GFCCVEGCSA-N 1 0 384.469 1.373 20 0 GDADRO CCN(C(=O)[C@H]1CCCCO1)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248776 953297231 /nfs/dbraw/zinc/29/72/31/953297231.db2.gz ZRHXAAVJZRTVJU-FUHWJXTLSA-N 1 0 384.484 1.859 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CN1c1ccc(-c2nn[nH]n2)nc1 ZINC001571249892 953307235 /nfs/dbraw/zinc/30/72/35/953307235.db2.gz MBWCXLGCGNCWGG-ZFWWWQNUSA-N 1 0 384.488 1.077 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571250339 953310253 /nfs/dbraw/zinc/31/02/53/953310253.db2.gz QUKXZSLMSNHFHC-MEDUHNTESA-N 1 0 384.444 1.522 20 0 GDADRO CCC1(Nc2ccc(-c3nn[nH]n3)nc2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001571250854 953313441 /nfs/dbraw/zinc/31/34/41/953313441.db2.gz UGTNPAQQACYIKE-UHFFFAOYSA-N 1 0 384.488 1.541 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3CCC3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC001571251432 953317273 /nfs/dbraw/zinc/31/72/73/953317273.db2.gz XNCPPHDMTIANLG-CJNGLKHVSA-N 1 0 384.484 1.860 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001571251817 953321026 /nfs/dbraw/zinc/32/10/26/953321026.db2.gz AMRIORLMKQEAHH-MRXNPFEDSA-N 1 0 384.488 1.175 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001571252082 953323116 /nfs/dbraw/zinc/32/31/16/953323116.db2.gz GUAOVLBBYGQZTG-ZFWWWQNUSA-N 1 0 384.488 1.315 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001571252671 953332206 /nfs/dbraw/zinc/33/22/06/953332206.db2.gz SYRTZBDDVDULSE-HOCLYGCPSA-N 1 0 384.488 1.397 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)o1 ZINC001571254059 953336193 /nfs/dbraw/zinc/33/61/93/953336193.db2.gz CTDBTKGZHYVXDD-AWEZNQCLSA-N 1 0 385.403 1.235 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)on1 ZINC001571254123 953336351 /nfs/dbraw/zinc/33/63/51/953336351.db2.gz DALBJSZDXDAYBO-AWEZNQCLSA-N 1 0 385.403 1.697 20 0 GDADRO O=C(Cc1ccon1)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571254121 953336359 /nfs/dbraw/zinc/33/63/59/953336359.db2.gz CVDCFIXVBRRVPS-ZDUSSCGKSA-N 1 0 385.403 1.175 20 0 GDADRO C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001571254834 953343424 /nfs/dbraw/zinc/34/34/24/953343424.db2.gz KPHSLFGSVWAWIE-SNVBAGLBSA-N 1 0 385.394 1.978 20 0 GDADRO C[C@H]1CN(C(=O)c2cnco2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571255193 953345992 /nfs/dbraw/zinc/34/59/92/953345992.db2.gz MLUCNBZNDWYHFO-XHDPSFHLSA-N 1 0 385.403 1.634 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)c1cc(F)c[nH]1 ZINC001571255161 953346165 /nfs/dbraw/zinc/34/61/65/953346165.db2.gz KOEGIJUATKVVFZ-VIKVFOODSA-N 1 0 385.378 1.333 20 0 GDADRO Cc1conc1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571255187 953346218 /nfs/dbraw/zinc/34/62/18/953346218.db2.gz MJQBDRMAHZKYHY-CQSZACIVSA-N 1 0 385.403 1.697 20 0 GDADRO CCc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)no1 ZINC001571255226 953347289 /nfs/dbraw/zinc/34/72/89/953347289.db2.gz MWCSLGNZNAZBQU-CYBMUJFWSA-N 1 0 385.403 1.561 20 0 GDADRO CC(C)C[NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1C(F)(F)F ZINC001571255394 953349058 /nfs/dbraw/zinc/34/90/58/953349058.db2.gz OKDOOHCXPAFRSP-DGCLKSJQSA-N 1 0 385.394 1.833 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ccon1 ZINC001571255687 953353587 /nfs/dbraw/zinc/35/35/87/953353587.db2.gz RZKPEJMUTVIEFR-LBPRGKRZSA-N 1 0 385.403 1.636 20 0 GDADRO Cc1ncoc1C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571255794 953356650 /nfs/dbraw/zinc/35/66/50/953356650.db2.gz TZNPABNGHLFXAV-MEBBXXQBSA-N 1 0 385.403 1.553 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ccon1 ZINC001571256121 953364065 /nfs/dbraw/zinc/36/40/65/953364065.db2.gz YNWPCEXDKXRNFH-QWHCGFSZSA-N 1 0 385.403 1.825 20 0 GDADRO O=C([O-])COc1cccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000659754941 954356818 /nfs/dbraw/zinc/35/68/18/954356818.db2.gz CBRHNBUMRYDINK-UHFFFAOYSA-N 1 0 398.463 1.487 20 0 GDADRO Cc1ccc(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)c(OCC[NH+](C)C)c1 ZINC000864594459 955998457 /nfs/dbraw/zinc/99/84/57/955998457.db2.gz LKGVCKPNDYLNTO-UHFFFAOYSA-N 1 0 378.473 1.606 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)c1ccccc1 ZINC000874382312 956121327 /nfs/dbraw/zinc/12/13/27/956121327.db2.gz GYXLOJPFDUNDBF-SFHVURJKSA-N 1 0 376.501 1.918 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001603141889 972232229 /nfs/dbraw/zinc/23/22/29/972232229.db2.gz GHWOMHMKNSJYBN-IRXDYDNUSA-N 1 0 378.517 1.696 20 0 GDADRO C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001329790873 957707816 /nfs/dbraw/zinc/70/78/16/957707816.db2.gz LORXDDWBQNCIQD-OVYGPGRDSA-N 1 0 382.549 1.503 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC001592267517 977514746 /nfs/dbraw/zinc/51/47/46/977514746.db2.gz DJOAPHMRXWSGHV-HNNXBMFYSA-N 1 0 376.501 1.718 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001594516352 985902067 /nfs/dbraw/zinc/90/20/67/985902067.db2.gz ODRLIGKYTPQPMD-MRXNPFEDSA-N 1 0 389.500 1.236 20 0 GDADRO C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001598224273 990906485 /nfs/dbraw/zinc/90/64/85/990906485.db2.gz BMBKDYMZSHVNMX-UHFFFAOYSA-N 1 0 383.514 1.172 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC001598572830 993225633 /nfs/dbraw/zinc/22/56/33/993225633.db2.gz AXZGZCGKYUXRKK-YJBOKZPZSA-N 1 0 387.484 1.061 20 0 GDADRO C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC001598617357 993914833 /nfs/dbraw/zinc/91/48/33/993914833.db2.gz YADBXKBBMDYLEC-UHFFFAOYSA-N 1 0 397.479 1.021 20 0 GDADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@@]1(CO)COc2ccccc2C1 ZINC000528646580 1126096267 /nfs/dbraw/zinc/09/62/67/1126096267.db2.gz SVKZTQPEFYSIEG-IBGZPJMESA-N 1 0 393.509 1.000 20 0 GDADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@](C)(CO)Cc1ccccc1F ZINC000631235947 1126101854 /nfs/dbraw/zinc/10/18/54/1126101854.db2.gz UVDXUVONBNSKCT-FQEVSTJZSA-N 1 0 376.476 1.788 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)cc1OC ZINC000873192554 1126120680 /nfs/dbraw/zinc/12/06/80/1126120680.db2.gz GZBNLDUODJTVKQ-OXJNMPFZSA-N 1 0 390.484 1.415 20 0 GDADRO COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cc1OCC(N)=O ZINC001262011543 1126161255 /nfs/dbraw/zinc/16/12/55/1126161255.db2.gz OZVWIYJTGJBLIB-HXUWFJFHSA-N 1 0 376.428 1.782 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCN(C)S(=O)(=O)c2cccs2)C1 ZINC000159132942 530540336 /nfs/dbraw/zinc/54/03/36/530540336.db2.gz HDUXVSGVUWTNHV-CQSZACIVSA-N 1 0 388.559 1.400 20 0 GDADRO [NH3+]C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)C1CC1 ZINC000159198790 530541245 /nfs/dbraw/zinc/54/12/45/530541245.db2.gz AWFFXHIWJJSPQS-LSDHHAIUSA-N 1 0 380.286 1.907 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)NCC[NH+](C)C)c(Br)c1 ZINC000012141376 530555039 /nfs/dbraw/zinc/55/50/39/530555039.db2.gz XVPMRRHZZMKIRY-UHFFFAOYSA-N 1 0 379.276 1.466 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000161542683 530561671 /nfs/dbraw/zinc/56/16/71/530561671.db2.gz QAZWWGJDPGUVME-NWDGAFQWSA-N 1 0 394.269 1.821 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NCCOc2ncc(Cl)cc2Cl)CC1=O ZINC000161667730 530562886 /nfs/dbraw/zinc/56/28/86/530562886.db2.gz YGSXKGCQDDAUGL-LLVKDONJSA-N 1 0 389.283 1.294 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)c2cncc(I)c2)n1 ZINC000161712149 530563178 /nfs/dbraw/zinc/56/31/78/530563178.db2.gz VHSMXZBTAYTYDR-UHFFFAOYSA-N 1 0 385.209 1.697 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000161938720 530564499 /nfs/dbraw/zinc/56/44/99/530564499.db2.gz MDZVBPSEWAHWHF-KBPBESRZSA-N 1 0 389.315 1.750 20 0 GDADRO O=C(NCC1CCS(=O)(=O)CC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000162148218 530566542 /nfs/dbraw/zinc/56/65/42/530566542.db2.gz MEWRFJSXYBJMNP-UHFFFAOYSA-N 1 0 382.551 1.790 20 0 GDADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000162517615 530568553 /nfs/dbraw/zinc/56/85/53/530568553.db2.gz OMNOINLCYUAQHA-IRXDYDNUSA-N 1 0 375.579 1.967 20 0 GDADRO CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000025331750 530580688 /nfs/dbraw/zinc/58/06/88/530580688.db2.gz NRNHSQDSBKFKOA-INIZCTEOSA-N 1 0 381.523 1.997 20 0 GDADRO CCCNc1nnc(SCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000027799551 530589552 /nfs/dbraw/zinc/58/95/52/530589552.db2.gz WOABNSCGYSBTJG-ZDUSSCGKSA-N 1 0 387.575 1.925 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OC ZINC000170873662 530590089 /nfs/dbraw/zinc/59/00/89/530590089.db2.gz SLVSLRFVETXBNK-SNVBAGLBSA-N 1 0 393.303 1.791 20 0 GDADRO NC(=O)NC(=O)CCC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000171384003 530598318 /nfs/dbraw/zinc/59/83/18/530598318.db2.gz ACHGOZNAPAYCDO-UHFFFAOYSA-N 1 0 376.226 1.358 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000171678913 530601990 /nfs/dbraw/zinc/60/19/90/530601990.db2.gz PLBQVZCQIHTFEW-ZDUSSCGKSA-N 1 0 386.543 1.555 20 0 GDADRO C[NH+](C)C1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000171954063 530605402 /nfs/dbraw/zinc/60/54/02/530605402.db2.gz SZDBLGXQLQMBOR-UHFFFAOYSA-N 1 0 380.286 1.891 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000172043466 530607482 /nfs/dbraw/zinc/60/74/82/530607482.db2.gz UGRJVFPGJMCBEB-NSHDSACASA-N 1 0 388.331 1.879 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[N@@H+]1CCCC[C@@H]1C ZINC000032734289 530609208 /nfs/dbraw/zinc/60/92/08/530609208.db2.gz FQHXBGUGPAOUMT-KBPBESRZSA-N 1 0 387.571 1.833 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000172291957 530611463 /nfs/dbraw/zinc/61/14/63/530611463.db2.gz UBMWPPUYJZINSN-LLVKDONJSA-N 1 0 384.274 1.806 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000173073386 530622444 /nfs/dbraw/zinc/62/24/44/530622444.db2.gz LYMRWKBKJBJXNI-UHFFFAOYSA-N 1 0 398.301 1.233 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173276601 530627743 /nfs/dbraw/zinc/62/77/43/530627743.db2.gz VFPZOZDBGURRDI-CQSZACIVSA-N 1 0 385.555 1.993 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000174130429 530643730 /nfs/dbraw/zinc/64/37/30/530643730.db2.gz QCPNGHKJTBQQRB-INIZCTEOSA-N 1 0 398.345 1.796 20 0 GDADRO C[C@H](CNS(=O)(=O)c1sccc1Br)CN1CC[NH+](C)CC1 ZINC000173454976 530630928 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383.290 1.939 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000182269135 530797049 /nfs/dbraw/zinc/79/70/49/530797049.db2.gz CRPYQEKQSOYAMS-GXTWGEPZSA-N 1 0 386.543 1.282 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000182570898 530801221 /nfs/dbraw/zinc/80/12/21/530801221.db2.gz YHMUUCUIGOKFSN-COPLHBTASA-N 1 0 389.315 1.792 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000182558009 530801541 /nfs/dbraw/zinc/80/15/41/530801541.db2.gz XIDXYVQDNONBSN-XKQJLSEDSA-N 1 0 388.555 1.943 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071038888 530803837 /nfs/dbraw/zinc/80/38/37/530803837.db2.gz YNEYRRRLKWLVSR-ZDUSSCGKSA-N 1 0 383.499 1.267 20 0 GDADRO Cc1cc(Br)c(O)c(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000182909129 530807276 /nfs/dbraw/zinc/80/72/76/530807276.db2.gz GBSNJUPPYRAOIN-LLVKDONJSA-N 1 0 384.274 1.812 20 0 GDADRO CC(C)[NH+](CCCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)C(C)C ZINC000072517967 530806545 /nfs/dbraw/zinc/80/65/45/530806545.db2.gz ULEDXCUBQWXEGU-INIZCTEOSA-N 1 0 376.567 1.466 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]C2CCN(C(=O)N(C)C)CC2)c(C)s1 ZINC000181925082 530791764 /nfs/dbraw/zinc/79/17/64/530791764.db2.gz VUKISELHQRNWAV-UHFFFAOYSA-N 1 0 388.559 1.379 20 0 GDADRO C[C@@H](C(=O)N(C)CCC[NH+](C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000182003073 530793190 /nfs/dbraw/zinc/79/31/90/530793190.db2.gz YYWDOBWCEDMQTM-NSHDSACASA-N 1 0 396.285 1.844 20 0 GDADRO C[NH+](C)CCCNC(=O)CSc1nnnn1-c1ccc(Br)cc1 ZINC000182194138 530795691 /nfs/dbraw/zinc/79/56/91/530795691.db2.gz GXUBJTHNPFQFPO-UHFFFAOYSA-N 1 0 399.318 1.585 20 0 GDADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1)N1CCCCC1 ZINC000182230110 530796453 /nfs/dbraw/zinc/79/64/53/530796453.db2.gz HVFBBVXLDVUOSV-INIZCTEOSA-N 1 0 386.539 1.528 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1F)N1CC[NH+](C)CC1 ZINC000184901212 530833214 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/nfs/dbraw/zinc/10/02/41/531100241.db2.gz SWVQGBHYBUDORD-KRWDZBQOSA-N 1 0 397.317 1.031 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000261863827 531100529 /nfs/dbraw/zinc/10/05/29/531100529.db2.gz YVSUYCXOAMYMKK-LLVKDONJSA-N 1 0 391.896 1.604 20 0 GDADRO O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000261840393 531100908 /nfs/dbraw/zinc/10/09/08/531100908.db2.gz KTVXSDMGSHSPLU-LLVKDONJSA-N 1 0 379.404 1.855 20 0 GDADRO CCOCCN1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261886190 531101186 /nfs/dbraw/zinc/10/11/86/531101186.db2.gz ZSNHPOIBBRMUNM-KRWDZBQOSA-N 1 0 384.318 1.804 20 0 GDADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C1 ZINC000261887403 531101520 /nfs/dbraw/zinc/10/15/20/531101520.db2.gz VDQHCNHRCPGJTM-CQSZACIVSA-N 1 0 379.404 1.338 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261910774 531102126 /nfs/dbraw/zinc/10/21/26/531102126.db2.gz YAQUVLUYPMACST-HIFRSBDPSA-N 1 0 380.491 1.898 20 0 GDADRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000261894577 531102295 /nfs/dbraw/zinc/10/22/95/531102295.db2.gz XJMGFKRVWBZWKP-CQSZACIVSA-N 1 0 385.917 1.563 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261921255 531102761 /nfs/dbraw/zinc/10/27/61/531102761.db2.gz BQMRJHPJRGOBND-QGZVFWFLSA-N 1 0 387.933 1.655 20 0 GDADRO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261918485 531103044 /nfs/dbraw/zinc/10/30/44/531103044.db2.gz KDZQOFFWWHCZRC-CYBMUJFWSA-N 1 0 375.897 1.785 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000261944175 531103407 /nfs/dbraw/zinc/10/34/07/531103407.db2.gz FCTPHABUVXALEU-GXFFZTMASA-N 1 0 389.905 1.327 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000261955138 531103526 /nfs/dbraw/zinc/10/35/26/531103526.db2.gz INHMRGBYCSQFNW-GXFFZTMASA-N 1 0 379.404 1.983 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)O1 ZINC000262018635 531105392 /nfs/dbraw/zinc/10/53/92/531105392.db2.gz OPNPYGIQOYODMH-YPMHNXCESA-N 1 0 388.331 1.661 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000262038726 531105473 /nfs/dbraw/zinc/10/54/73/531105473.db2.gz KYTNGLQBZSELJI-KBPBESRZSA-N 1 0 389.543 1.075 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000262037770 531105525 /nfs/dbraw/zinc/10/55/25/531105525.db2.gz PXMJJGWHVSUCMQ-SJCJKPOMSA-N 1 0 380.286 1.999 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC1CC[NH2+]CC1 ZINC000262090945 531107491 /nfs/dbraw/zinc/10/74/91/531107491.db2.gz AVKHOJVRKPQJPH-JTQLQIEISA-N 1 0 379.404 1.240 20 0 GDADRO C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262078800 531107652 /nfs/dbraw/zinc/10/76/52/531107652.db2.gz QFCDCAZNLWKOKP-UONOGXRCSA-N 1 0 382.302 1.723 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000262112023 531108249 /nfs/dbraw/zinc/10/82/49/531108249.db2.gz HFFSDHXKPLKACA-LBPRGKRZSA-N 1 0 377.894 1.198 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C[NH2+]C)C2)cc1F ZINC000262127274 531109300 /nfs/dbraw/zinc/10/93/00/531109300.db2.gz LUCWRBWVUNBABB-GFCCVEGCSA-N 1 0 393.506 1.207 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000262155765 531109769 /nfs/dbraw/zinc/10/97/69/531109769.db2.gz ZJKOAWNSHJDDOG-CZUORRHYSA-N 1 0 389.543 1.075 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc1Cl ZINC000262141772 531109837 /nfs/dbraw/zinc/10/98/37/531109837.db2.gz PHYMGMSPDUAYMI-LBPRGKRZSA-N 1 0 399.296 1.719 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000262159378 531110524 /nfs/dbraw/zinc/11/05/24/531110524.db2.gz XWEUOGDHAVEJFW-OCCSQVGLSA-N 1 0 384.274 1.709 20 0 GDADRO COC[C@]1(CNS(=O)(=O)c2cc(OC)ccc2Br)CCC[NH2+]1 ZINC000262166474 531110674 /nfs/dbraw/zinc/11/06/74/531110674.db2.gz AITVHVDFMNOGMB-CQSZACIVSA-N 1 0 393.303 1.505 20 0 GDADRO CC(C)c1ncc(Cl)c(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000262174986 531111228 /nfs/dbraw/zinc/11/12/28/531111228.db2.gz YUNHOBRKNXZTDY-NSHDSACASA-N 1 0 379.814 1.819 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1C(F)(F)F ZINC000262182911 531111380 /nfs/dbraw/zinc/11/13/80/531111380.db2.gz BRDYHIUKHWUPMN-NOZJJQNGSA-N 1 0 380.388 1.911 20 0 GDADRO O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000262261087 531114422 /nfs/dbraw/zinc/11/44/22/531114422.db2.gz RCKJWSBLQGUQAP-DZGCQCFKSA-N 1 0 385.917 1.609 20 0 GDADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262271202 531114542 /nfs/dbraw/zinc/11/45/42/531114542.db2.gz SNSMJSCMTPRAGL-GFCCVEGCSA-N 1 0 379.404 1.253 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262288616 531115357 /nfs/dbraw/zinc/11/53/57/531115357.db2.gz VRAAWFBSWKJCFL-VHDGCEQUSA-N 1 0 379.507 1.368 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000262304828 531115403 /nfs/dbraw/zinc/11/54/03/531115403.db2.gz YBRYPEGQSIOGMZ-CABCVRRESA-N 1 0 385.555 1.634 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262310194 531115994 /nfs/dbraw/zinc/11/59/94/531115994.db2.gz CTVIJQYTYJEQOH-CQSZACIVSA-N 1 0 379.507 1.615 20 0 GDADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262310632 531116020 /nfs/dbraw/zinc/11/60/20/531116020.db2.gz YXRRRTJWYVMSIA-NSHDSACASA-N 1 0 395.859 1.610 20 0 GDADRO O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262339958 531117132 /nfs/dbraw/zinc/11/71/32/531117132.db2.gz HVHPNCNFBQMWSN-DZGCQCFKSA-N 1 0 382.302 1.770 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2cccc(C)c2Br)CCC[NH2+]1 ZINC000262374547 531118366 /nfs/dbraw/zinc/11/83/66/531118366.db2.gz WZYRYXUAIATKTC-AWEZNQCLSA-N 1 0 377.304 1.804 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000263165651 531139836 /nfs/dbraw/zinc/13/98/36/531139836.db2.gz ZOMFCCCUSVUXDP-BPUTZDHNSA-N 1 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/nfs/dbraw/zinc/12/41/97/531124197.db2.gz BDDDCXYWDLNNCI-GJZGRUSLSA-N 1 0 385.555 1.573 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCc2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000262575677 531124257 /nfs/dbraw/zinc/12/42/57/531124257.db2.gz SWPPSFNBJIPZCU-UHFFFAOYSA-N 1 0 393.278 1.371 20 0 GDADRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc(Br)cc1S(N)(=O)=O ZINC000262574004 531124336 /nfs/dbraw/zinc/12/43/36/531124336.db2.gz IONGSJMPOQYCMD-BXKDBHETSA-N 1 0 390.303 1.262 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCC[C@H]1CC[NH2+]C1 ZINC000262569312 531124520 /nfs/dbraw/zinc/12/45/20/531124520.db2.gz GBYAPDDTUBQCDR-SNVBAGLBSA-N 1 0 380.242 1.161 20 0 GDADRO Cc1c(C(=O)NCC[C@H]2CC[NH2+]C2)cc(Br)cc1S(N)(=O)=O ZINC000262591514 531124945 /nfs/dbraw/zinc/12/49/45/531124945.db2.gz RQRMRQXUGZDEQS-SNVBAGLBSA-N 1 0 390.303 1.134 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000262588976 531125163 /nfs/dbraw/zinc/12/51/63/531125163.db2.gz QCFXLVYKQOTLBC-VXGBXAGGSA-N 1 0 393.285 1.745 20 0 GDADRO CCOC(=O)c1sc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)nc1C(C)C ZINC000262591458 531125187 /nfs/dbraw/zinc/12/51/87/531125187.db2.gz UYDDOBXPJAHPJD-VIFPVBQESA-N 1 0 377.488 1.144 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262639283 531125512 /nfs/dbraw/zinc/12/55/12/531125512.db2.gz PLLGXLMUNQNOCO-OLZOCXBDSA-N 1 0 391.269 1.512 20 0 GDADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000262692842 531126858 /nfs/dbraw/zinc/12/68/58/531126858.db2.gz ALQYXJSXIUGZKA-WDEREUQCSA-N 1 0 379.404 1.193 20 0 GDADRO C[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)Oc1cccc(Br)c1 ZINC000262706596 531127494 /nfs/dbraw/zinc/12/74/94/531127494.db2.gz MOGAUWNPNDZRIY-MFKMUULPSA-N 1 0 393.303 1.095 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000149524943 531127742 /nfs/dbraw/zinc/12/77/42/531127742.db2.gz JPWBSGWKBSPGGI-HZPDHXFCSA-N 1 0 394.313 1.785 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150769572 531129136 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C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000262912615 531134481 /nfs/dbraw/zinc/13/44/81/531134481.db2.gz QUXDHYOGCOXQED-ZBEGNZNMSA-N 1 0 389.905 1.390 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)s1 ZINC000262952336 531135587 /nfs/dbraw/zinc/13/55/87/531135587.db2.gz VORNNBQTBXCHQK-MEBBXXQBSA-N 1 0 376.500 1.729 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152143971 531146735 /nfs/dbraw/zinc/14/67/35/531146735.db2.gz HWOTWRUSAFTBDU-IJEWVQPXSA-N 1 0 387.571 1.587 20 0 GDADRO COCC[NH2+]CCNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000152319727 531149623 /nfs/dbraw/zinc/14/96/23/531149623.db2.gz DOZWJNCFRPXPOX-UHFFFAOYSA-N 1 0 388.209 1.133 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000152551904 531153433 /nfs/dbraw/zinc/15/34/33/531153433.db2.gz IATSIGGNGCULCH-MRXNPFEDSA-N 1 0 381.274 1.882 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(I)ccc1Cl ZINC000152837414 531157518 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GDADRO CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000521807753 531252310 /nfs/dbraw/zinc/25/23/10/531252310.db2.gz ACBGOTLEHYBPQL-CQSZACIVSA-N 1 0 387.571 1.995 20 0 GDADRO COc1cc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc(OC)c1O ZINC000290558283 531241224 /nfs/dbraw/zinc/24/12/24/531241224.db2.gz ZNPMXOPDJGHORE-GFCCVEGCSA-N 1 0 387.479 1.395 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cncc(Br)c2)CC1 ZINC000521343218 531245049 /nfs/dbraw/zinc/24/50/49/531245049.db2.gz XXBVZGVQWMLXIC-UHFFFAOYSA-N 1 0 383.290 1.517 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)NCCS(=O)(=O)N1CCSCC1)C(C)(C)C ZINC000522620812 531256089 /nfs/dbraw/zinc/25/60/89/531256089.db2.gz UVWSSDGOMPNWJQ-AWEZNQCLSA-N 1 0 394.607 1.031 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000277098958 531257602 /nfs/dbraw/zinc/25/76/02/531257602.db2.gz CGXVZGFOMNCNPF-JTQLQIEISA-N 1 0 377.869 1.683 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000522757042 531258809 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CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000523907483 531270300 /nfs/dbraw/zinc/27/03/00/531270300.db2.gz GJDWWAHBZDATLH-HZPDHXFCSA-N 1 0 375.535 1.503 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N(CC[NH+](C)C)CC(C)C)s1 ZINC000435763323 531270606 /nfs/dbraw/zinc/27/06/06/531270606.db2.gz LKHIRCDTGSGVLK-UHFFFAOYSA-N 1 0 390.575 1.564 20 0 GDADRO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCn2c(Br)cnc2C1 ZINC000277294643 531271968 /nfs/dbraw/zinc/27/19/68/531271968.db2.gz BZGYPUGNKPGXGW-CYBMUJFWSA-N 1 0 383.290 1.631 20 0 GDADRO CN(CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000524695109 531277807 /nfs/dbraw/zinc/27/78/07/531277807.db2.gz RAGJIENQBOYCEX-INIZCTEOSA-N 1 0 385.917 1.513 20 0 GDADRO CC[NH+](CC)CCOC1CCN(C(=O)NCC2(S(C)(=O)=O)CC2)CC1 ZINC000474860728 531285010 /nfs/dbraw/zinc/28/50/10/531285010.db2.gz POUMTQYACKGTNX-UHFFFAOYSA-N 1 0 375.535 1.096 20 0 GDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000410476300 531289079 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C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000474968987 531287641 /nfs/dbraw/zinc/28/76/41/531287641.db2.gz PHTIJYPDOXPEBG-LBPRGKRZSA-N 1 0 398.301 1.140 20 0 GDADRO COc1ccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)cc1Br ZINC000265933770 531299973 /nfs/dbraw/zinc/29/99/73/531299973.db2.gz JPCSJGMEZMKTTQ-UHFFFAOYSA-N 1 0 386.290 1.714 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CCSC1 ZINC000291590628 531300203 /nfs/dbraw/zinc/30/02/03/531300203.db2.gz YRSWFZQVYGUXLV-GFCCVEGCSA-N 1 0 382.433 1.654 20 0 GDADRO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437883082 531301200 /nfs/dbraw/zinc/30/12/00/531301200.db2.gz UKIYXVMHVIIZLQ-GHMZBOCLSA-N 1 0 387.424 1.052 20 0 GDADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000291651624 531304202 /nfs/dbraw/zinc/30/42/02/531304202.db2.gz JUNPNWSLSNIRPL-ZJUUUORDSA-N 1 0 382.814 1.777 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCC[C@H]2F)cc[nH+]1 ZINC000349537411 531307071 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GDADRO Cc1nc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(Br)s1 ZINC000411321169 531315173 /nfs/dbraw/zinc/31/51/73/531315173.db2.gz HEJANIYIQDMAMM-UHFFFAOYSA-N 1 0 375.292 1.060 20 0 GDADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000476867164 531320988 /nfs/dbraw/zinc/32/09/88/531320988.db2.gz GWDYSQYPCDMBRQ-HNNXBMFYSA-N 1 0 377.551 1.052 20 0 GDADRO COc1cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1Br ZINC000440434384 531338837 /nfs/dbraw/zinc/33/88/37/531338837.db2.gz DNHUFZGVLSLVKX-NSHDSACASA-N 1 0 375.288 1.973 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000440437621 531339002 /nfs/dbraw/zinc/33/90/02/531339002.db2.gz XHSGWASMTFPBJY-MFKMUULPSA-N 1 0 379.404 1.337 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000477582967 531332139 /nfs/dbraw/zinc/33/21/39/531332139.db2.gz JOVFHEDAQBAMFP-CYBMUJFWSA-N 1 0 379.404 1.190 20 0 GDADRO CSc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000411648745 531332291 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1.413 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3C[NH+](C)C)c(Cl)cc21 ZINC000528350631 531348100 /nfs/dbraw/zinc/34/81/00/531348100.db2.gz RBEUPSYELVNTMI-CQSZACIVSA-N 1 0 385.917 1.964 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000440866125 531349531 /nfs/dbraw/zinc/34/95/31/531349531.db2.gz VZSOVOWJQCVJHO-MNOVXSKESA-N 1 0 390.303 1.956 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000440866869 531350242 /nfs/dbraw/zinc/35/02/42/531350242.db2.gz ZQCHFRCOMKGGAO-UONOGXRCSA-N 1 0 377.304 1.717 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000411931828 531350494 /nfs/dbraw/zinc/35/04/94/531350494.db2.gz ALOFIPVQZDLNLH-RISCZKNCSA-N 1 0 389.265 1.738 20 0 GDADRO Cn1ncc(I)c1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000292377884 531351480 /nfs/dbraw/zinc/35/14/80/531351480.db2.gz WETFSKUVAMKYCH-UHFFFAOYSA-N 1 0 376.242 1.629 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)c(Cl)cc21 ZINC000528046668 531340429 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CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CCC[NH2+]CC2)c1 ZINC000415331038 531475624 /nfs/dbraw/zinc/47/56/24/531475624.db2.gz ZNSSPNQXDPHQAS-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000449751433 531476074 /nfs/dbraw/zinc/47/60/74/531476074.db2.gz YKCPLTNUOXSYTI-AWEZNQCLSA-N 1 0 393.285 1.806 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415335008 531477032 /nfs/dbraw/zinc/47/70/32/531477032.db2.gz QUOWESAVUADLEI-LLVKDONJSA-N 1 0 384.274 1.902 20 0 GDADRO CCS(=O)(=O)NCCCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000294018985 531458259 /nfs/dbraw/zinc/45/82/59/531458259.db2.gz GJFWNNJALNXKNY-AWEZNQCLSA-N 1 0 392.319 1.069 20 0 GDADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000362358385 531459225 /nfs/dbraw/zinc/45/92/25/531459225.db2.gz LNNRPBKTSQPCND-OAHLLOKOSA-N 1 0 375.535 1.647 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1OC ZINC000415348392 531477420 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O=C(NCCCN1CC[NH2+]CC1)Nc1cccc(I)c1 ZINC000414693341 531463230 /nfs/dbraw/zinc/46/32/30/531463230.db2.gz MLSPGQOPNJNQTE-UHFFFAOYSA-N 1 0 388.253 1.708 20 0 GDADRO CCOc1cc(CN[C@@H](C)C[NH3+])cc(Br)c1OCC(=O)N(C)C ZINC000414942807 531463942 /nfs/dbraw/zinc/46/39/42/531463942.db2.gz KUSFMVWFINUGHJ-NSHDSACASA-N 1 0 388.306 1.752 20 0 GDADRO COc1cc(Br)c(NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1OC ZINC000414987244 531464280 /nfs/dbraw/zinc/46/42/80/531464280.db2.gz DKGSQEIBJGGZRN-JTQLQIEISA-N 1 0 387.278 1.491 20 0 GDADRO COc1ccc(Br)c(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000415080591 531466002 /nfs/dbraw/zinc/46/60/02/531466002.db2.gz LZQOMTUMCOCQFC-LBPRGKRZSA-N 1 0 383.290 1.969 20 0 GDADRO CCOC[C@@H](O)C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449162524 531467410 /nfs/dbraw/zinc/46/74/10/531467410.db2.gz JIWOBBZTLPZZEE-FZMZJTMJSA-N 1 0 389.290 1.449 20 0 GDADRO CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000415212285 531468202 /nfs/dbraw/zinc/46/82/02/531468202.db2.gz ZEIXNESZGICJNY-ZDUSSCGKSA-N 1 0 376.429 1.957 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000415265341 531469006 /nfs/dbraw/zinc/46/90/06/531469006.db2.gz DSRUIZBOLAXRGQ-UHFFFAOYSA-N 1 0 377.247 1.483 20 0 GDADRO COCCOC1(C[NH2+]Cc2c(Br)c(C)nn2C)CCOCC1 ZINC000449395522 531469796 /nfs/dbraw/zinc/46/97/96/531469796.db2.gz VCOHJKWFRJMXCR-UHFFFAOYSA-N 1 0 376.295 1.793 20 0 GDADRO OCCC[N@@H+]1CCC[C@@H]1CNCc1ncc(I)s1 ZINC000449389230 531469958 /nfs/dbraw/zinc/46/99/58/531469958.db2.gz RTIDAFKVVUVWKM-SNVBAGLBSA-N 1 0 381.283 1.684 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000415272277 531470619 /nfs/dbraw/zinc/47/06/19/531470619.db2.gz SITCQPJQMNEJCF-UHFFFAOYSA-N 1 0 387.221 1.406 20 0 GDADRO O=C(Nc1cc(Br)ccc1N1CCCC1)C(=O)NC1CC[NH2+]CC1 ZINC000415267452 531470662 /nfs/dbraw/zinc/47/06/62/531470662.db2.gz JAEVGVVIRQZUNN-UHFFFAOYSA-N 1 0 395.301 1.856 20 0 GDADRO CCOC(=O)c1c(NC(=O)NC[C@@H]2C[NH2+]CCO2)sc2c1CCSC2 ZINC000415345568 531477751 /nfs/dbraw/zinc/47/77/51/531477751.db2.gz YNESYGVVEKIFEL-JTQLQIEISA-N 1 0 385.511 1.824 20 0 GDADRO COc1c(Cl)cc(NC(=O)C(=O)NCCCN2CC[NH2+]CC2)cc1Cl ZINC000415280477 531471236 /nfs/dbraw/zinc/47/12/36/531471236.db2.gz IXIYXOVTBFFOBZ-UHFFFAOYSA-N 1 0 389.283 1.352 20 0 GDADRO O=C(Nc1cc(Br)ccc1-n1cccn1)C(=O)N1CC[NH2+]CC1 ZINC000415286066 531471553 /nfs/dbraw/zinc/47/15/53/531471553.db2.gz SSRMUUXHHCTPRL-UHFFFAOYSA-N 1 0 378.230 1.005 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NCCCN2CC[NH2+]CC2)cc1Br ZINC000415286543 531471772 /nfs/dbraw/zinc/47/17/72/531471772.db2.gz UHVULVUIEYWMHP-UHFFFAOYSA-N 1 0 397.317 1.416 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)C1 ZINC000415288619 531472022 /nfs/dbraw/zinc/47/20/22/531472022.db2.gz ZHKYPFWXJSPEGV-NSHDSACASA-N 1 0 384.274 1.854 20 0 GDADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449601342 531472544 /nfs/dbraw/zinc/47/25/44/531472544.db2.gz RECRWAKHYBNOCS-QWRGUYRKSA-N 1 0 382.295 1.762 20 0 GDADRO O[C@H](COC1CCOCC1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363102896 531472994 /nfs/dbraw/zinc/47/29/94/531472994.db2.gz YCFHXPCEYFJKED-HNNXBMFYSA-N 1 0 388.306 1.839 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000415366356 531480020 /nfs/dbraw/zinc/48/00/20/531480020.db2.gz YALMPMYFCLNHGK-SNVBAGLBSA-N 1 0 389.193 1.643 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(I)ccc1C ZINC000415373006 531480594 /nfs/dbraw/zinc/48/05/94/531480594.db2.gz WCCRAJRWJIZDPM-UHFFFAOYSA-N 1 0 375.210 1.264 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415374221 531480793 /nfs/dbraw/zinc/48/07/93/531480793.db2.gz YECXOYMQGHAWPG-UHFFFAOYSA-N 1 0 395.628 1.609 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)ccc1Cl ZINC000268172413 531481141 /nfs/dbraw/zinc/48/11/41/531481141.db2.gz LOMOJYFVYSUBQV-UHFFFAOYSA-N 1 0 390.889 1.516 20 0 GDADRO CC(C)[C@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC[N@@H+]1C ZINC000488089798 531481413 /nfs/dbraw/zinc/48/14/13/531481413.db2.gz JZCGHYQWJVRSHW-OAHLLOKOSA-N 1 0 388.921 1.198 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC(C)(C)C[NH3+])cc(Br)c1F ZINC000415384963 531481523 /nfs/dbraw/zinc/48/15/23/531481523.db2.gz UDRFAZRVJACYSX-UHFFFAOYSA-N 1 0 390.209 1.167 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000280223216 531481585 /nfs/dbraw/zinc/48/15/85/531481585.db2.gz LLFKACNNEHWTIT-SECBINFHSA-N 1 0 376.201 1.876 20 0 GDADRO CO[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@@H]1OC ZINC000488040447 531481968 /nfs/dbraw/zinc/48/19/68/531481968.db2.gz DXOMHQLNFIUKOC-AEGPPILISA-N 1 0 378.238 1.674 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415392948 531482263 /nfs/dbraw/zinc/48/22/63/531482263.db2.gz KKDUYBCCPLVPTM-SNVBAGLBSA-N 1 0 381.274 1.728 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000415398831 531482512 /nfs/dbraw/zinc/48/25/12/531482512.db2.gz UBISMMVAGMRUEV-JTQLQIEISA-N 1 0 398.257 1.242 20 0 GDADRO COc1cc(Br)cc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000415391713 531482551 /nfs/dbraw/zinc/48/25/51/531482551.db2.gz INRPXYYAMKXNOL-CQSZACIVSA-N 1 0 383.290 1.969 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(I)ccc1C ZINC000415403666 531483323 /nfs/dbraw/zinc/48/33/23/531483323.db2.gz ACUZKGBPJJOALB-SECBINFHSA-N 1 0 389.237 1.510 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415402425 531483566 /nfs/dbraw/zinc/48/35/66/531483566.db2.gz VIRBWMBDFQINKT-JTQLQIEISA-N 1 0 384.274 1.982 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415409279 531483844 /nfs/dbraw/zinc/48/38/44/531483844.db2.gz SUAFKIGMQFHYPE-SNVBAGLBSA-N 1 0 381.889 1.856 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)ccc2-n2cccn2)CC[NH2+]1 ZINC000415409025 531484335 /nfs/dbraw/zinc/48/43/35/531484335.db2.gz CUHFEIFPFOYKQE-NSHDSACASA-N 1 0 392.257 1.394 20 0 GDADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COC1CCOCC1 ZINC000488231656 531484429 /nfs/dbraw/zinc/48/44/29/531484429.db2.gz NNPBKCMZICIEDJ-MRXNPFEDSA-N 1 0 388.302 1.800 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000415416663 531484359 /nfs/dbraw/zinc/48/43/59/531484359.db2.gz UAJIVDVAMAPNCQ-UHFFFAOYSA-N 1 0 376.251 1.824 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)N(C)C[C@H](O)C[NH3+] ZINC000415428218 531485174 /nfs/dbraw/zinc/48/51/74/531485174.db2.gz QAPAAZZBLDIWOV-LLVKDONJSA-N 1 0 376.251 1.258 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415437564 531485876 /nfs/dbraw/zinc/48/58/76/531485876.db2.gz CMQOUPGICUODAX-QPUJVOFHSA-N 1 0 388.251 1.914 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)CC[C@@H]1[NH3+] ZINC000415437527 531485936 /nfs/dbraw/zinc/48/59/36/531485936.db2.gz CLHDPTUASDXURV-UWVGGRQHSA-N 1 0 381.889 1.936 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000363486271 531486637 /nfs/dbraw/zinc/48/66/37/531486637.db2.gz UFZBMINQFLOIRE-INIZCTEOSA-N 1 0 394.313 1.932 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc(OC)c1Br ZINC000415451644 531487890 /nfs/dbraw/zinc/48/78/90/531487890.db2.gz LGQIRLFFVZOVNI-JTQLQIEISA-N 1 0 386.246 1.258 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000363500462 531488367 /nfs/dbraw/zinc/48/83/67/531488367.db2.gz RPOHDNSCNVEOQK-GFCCVEGCSA-N 1 0 386.543 1.472 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415468303 531488553 /nfs/dbraw/zinc/48/85/53/531488553.db2.gz WCHUONXNWHYFJG-LBPRGKRZSA-N 1 0 384.267 2.217 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000415464561 531488741 /nfs/dbraw/zinc/48/87/41/531488741.db2.gz DAJMPQKYELEIOJ-JVXZTZIISA-N 1 0 390.209 1.077 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415545751 531493555 /nfs/dbraw/zinc/49/35/55/531493555.db2.gz AUMQQTPSQVXQGS-UHFFFAOYSA-N 1 0 394.273 1.310 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000415489800 531489825 /nfs/dbraw/zinc/48/98/25/531489825.db2.gz IYLIBFWQPGKFGC-LBPRGKRZSA-N 1 0 387.889 1.283 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415518994 531491875 /nfs/dbraw/zinc/49/18/75/531491875.db2.gz JEPGPOKQMYNDIO-RKDXNWHRSA-N 1 0 388.251 1.914 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c(C)cc1Br ZINC000415542179 531492279 /nfs/dbraw/zinc/49/22/79/531492279.db2.gz UCPJIJHPTUTVIT-LBPRGKRZSA-N 1 0 398.257 1.336 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415541477 531492703 /nfs/dbraw/zinc/49/27/03/531492703.db2.gz NVFKZDOJNMDQIX-UWVGGRQHSA-N 1 0 384.249 1.673 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415661518 531510561 /nfs/dbraw/zinc/51/05/61/531510561.db2.gz VFSDUTVOCKXNCT-LLVKDONJSA-N 1 0 394.273 1.688 20 0 GDADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2c(Br)cnn2C)C[C@H](C)O1 ZINC000295001025 531514286 /nfs/dbraw/zinc/51/42/86/531514286.db2.gz ZZMFQBISFMEDSG-XQQFMLRXSA-N 1 0 385.306 1.896 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000415683312 531514373 /nfs/dbraw/zinc/51/43/73/531514373.db2.gz SLLFYVPGYFGUOC-CYBMUJFWSA-N 1 0 386.294 1.786 20 0 GDADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000581760984 531514903 /nfs/dbraw/zinc/51/49/03/531514903.db2.gz WQGAGPVVABLADA-LLVKDONJSA-N 1 0 398.276 1.935 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415698341 531515723 /nfs/dbraw/zinc/51/57/23/531515723.db2.gz YHDQCVIVEMZVCU-MRXNPFEDSA-N 1 0 381.889 1.938 20 0 GDADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)C[C@H]2CCCC2(F)F)ccn1 ZINC000295054775 531517184 /nfs/dbraw/zinc/51/71/84/531517184.db2.gz BKAMINDXJXDOPO-CQSZACIVSA-N 1 0 377.457 1.877 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415714870 531518345 /nfs/dbraw/zinc/51/83/45/531518345.db2.gz AHUKAHJSHPGOHF-CABZTGNLSA-N 1 0 398.257 1.512 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415546301 531493891 /nfs/dbraw/zinc/49/38/91/531493891.db2.gz MOJOBPLOWHCMEV-UHFFFAOYSA-N 1 0 395.628 1.561 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415566087 531495313 /nfs/dbraw/zinc/49/53/13/531495313.db2.gz IUPJLSUKGVBHPH-HTQZYQBOSA-N 1 0 376.201 1.862 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c1OC ZINC000556373737 531495518 /nfs/dbraw/zinc/49/55/18/531495518.db2.gz FSIXTLVPWKZRDJ-JTQLQIEISA-N 1 0 378.878 1.754 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415571110 531496684 /nfs/dbraw/zinc/49/66/84/531496684.db2.gz SZNRCNNIWZCABX-JGVFFNPUSA-N 1 0 376.201 1.875 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC000610134892 531497213 /nfs/dbraw/zinc/49/72/13/531497213.db2.gz CZFNTUBQBLQCFG-ARFHVFGLSA-N 1 0 375.535 1.311 20 0 GDADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000581543108 531497264 /nfs/dbraw/zinc/49/72/64/531497264.db2.gz JBFAAEVVCRTGAP-XJKSGUPXSA-N 1 0 384.318 1.872 20 0 GDADRO CC(C)[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000489351496 531498105 /nfs/dbraw/zinc/49/81/05/531498105.db2.gz OINVIYAWOZVIKF-XJKSGUPXSA-N 1 0 387.933 1.805 20 0 GDADRO C[NH+](C)CC1(C(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CC1 ZINC000635883241 531519037 /nfs/dbraw/zinc/51/90/37/531519037.db2.gz XASJTTRACDYOGJ-AWEZNQCLSA-N 1 0 380.286 1.790 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)CCO1 ZINC000415606020 531502288 /nfs/dbraw/zinc/50/22/88/531502288.db2.gz PAASRZZUQMRAFV-GFCCVEGCSA-N 1 0 393.241 1.122 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000581608367 531503363 /nfs/dbraw/zinc/50/33/63/531503363.db2.gz ZKVBSENVSOOHML-CABZTGNLSA-N 1 0 388.693 1.962 20 0 GDADRO COC(=O)c1cc(NC(=O)NC[C@@H]2C[NH2+]CCO2)cc(Br)c1F ZINC000415615722 531504772 /nfs/dbraw/zinc/50/47/72/531504772.db2.gz RRXIJQOUKXZATI-VIFPVBQESA-N 1 0 390.209 1.485 20 0 GDADRO O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000581657822 531506753 /nfs/dbraw/zinc/50/67/53/531506753.db2.gz QGQOFIPXQVEHBB-GFCCVEGCSA-N 1 0 379.404 1.399 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000415627946 531507053 /nfs/dbraw/zinc/50/70/53/531507053.db2.gz TVMAELUBPCTRKT-TVQRCGJNSA-N 1 0 398.257 1.288 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363775102 531507513 /nfs/dbraw/zinc/50/75/13/531507513.db2.gz PZLZIXVKSOWABK-NWDGAFQWSA-N 1 0 384.274 1.754 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000415655005 531508452 /nfs/dbraw/zinc/50/84/52/531508452.db2.gz SJLNVSFARSLTEW-UWVGGRQHSA-N 1 0 398.257 1.560 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415654787 531508470 /nfs/dbraw/zinc/50/84/70/531508470.db2.gz GZCCBRBEQBZLRX-SECBINFHSA-N 1 0 380.246 1.445 20 0 GDADRO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 ZINC000635754714 531509288 /nfs/dbraw/zinc/50/92/88/531509288.db2.gz ZIACIHNIIUNOKS-ZIAGYGMSSA-N 1 0 384.464 1.790 20 0 GDADRO CC[C@@H](C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1)[NH+](CC)CC ZINC000548936791 531520762 /nfs/dbraw/zinc/52/07/62/531520762.db2.gz MVPSVQUVSNKGEL-AWEZNQCLSA-N 1 0 383.505 1.625 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415796170 531532471 /nfs/dbraw/zinc/53/24/71/531532471.db2.gz XJINPICJMRKHCJ-NXEZZACHSA-N 1 0 380.246 1.425 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N(C)C2C[NH2+]C2)sc2c1CCCS2 ZINC000415729326 531521817 /nfs/dbraw/zinc/52/18/17/531521817.db2.gz BRLYQDZBUPHIEB-UHFFFAOYSA-N 1 0 383.495 1.332 20 0 GDADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415738713 531521945 /nfs/dbraw/zinc/52/19/45/531521945.db2.gz SRGXPPGNRKIMDP-UHFFFAOYSA-N 1 0 390.665 1.870 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000415732904 531521972 /nfs/dbraw/zinc/52/19/72/531521972.db2.gz YWADRBUHMRVQQH-AWEZNQCLSA-N 1 0 395.301 1.202 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccccc1I ZINC000415738444 531522626 /nfs/dbraw/zinc/52/26/26/531522626.db2.gz FKFSNOUGTRRVLR-JTQLQIEISA-N 1 0 389.237 1.863 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000415749563 531523280 /nfs/dbraw/zinc/52/32/80/531523280.db2.gz RRVOWXVLGPWFFC-CABZTGNLSA-N 1 0 387.221 1.486 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000295107795 531523427 /nfs/dbraw/zinc/52/34/27/531523427.db2.gz UMVWKALNJJNLDE-ZFWWWQNUSA-N 1 0 389.949 1.994 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[NH+](CC)CC)c(F)c1 ZINC000450962689 531523790 /nfs/dbraw/zinc/52/37/90/531523790.db2.gz WNNOIQDQGIBOBC-UHFFFAOYSA-N 1 0 395.522 1.598 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1c(I)cnn1C ZINC000581899095 531524077 /nfs/dbraw/zinc/52/40/77/531524077.db2.gz ZVCZGYBEBMSYDU-LLVKDONJSA-N 1 0 390.269 1.971 20 0 GDADRO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)N2CCSCC2)C1 ZINC000549749346 531524566 /nfs/dbraw/zinc/52/45/66/531524566.db2.gz DUFUDEFEUYMDFO-CVEARBPZSA-N 1 0 392.587 1.857 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000415758198 531525560 /nfs/dbraw/zinc/52/55/60/531525560.db2.gz HEAXRGDDEXBSHA-GHMZBOCLSA-N 1 0 382.258 1.464 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1c[nH]c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000295123556 531525749 /nfs/dbraw/zinc/52/57/49/531525749.db2.gz ZOPGCAQWYNVMLT-GFCCVEGCSA-N 1 0 381.420 1.615 20 0 GDADRO [NH3+]C[C@H]1CCCN1S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000582062127 531532672 /nfs/dbraw/zinc/53/26/72/531532672.db2.gz RWJRWUPFAFPVGV-HZPDHXFCSA-N 1 0 385.917 1.698 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000415780769 531528440 /nfs/dbraw/zinc/52/84/40/531528440.db2.gz BTVSSIDVHQSXSA-LLVKDONJSA-N 1 0 385.310 1.312 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br)[C@H](C)[NH3+] ZINC000415777051 531528881 /nfs/dbraw/zinc/52/88/81/531528881.db2.gz BKXJJBHCBRGGJO-WDEREUQCSA-N 1 0 394.273 1.484 20 0 GDADRO CSCCCNC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000550804372 531529302 /nfs/dbraw/zinc/52/93/02/531529302.db2.gz FYNFHOXMXOQPIX-UHFFFAOYSA-N 1 0 381.464 1.777 20 0 GDADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C(F)F ZINC000415788433 531530065 /nfs/dbraw/zinc/53/00/65/531530065.db2.gz MJLGYSQKWFOIIV-QMMMGPOBSA-N 1 0 386.143 1.765 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000364038929 531530703 /nfs/dbraw/zinc/53/07/03/531530703.db2.gz OOVBHWFMNNRAAL-BETUJISGSA-N 1 0 387.889 1.488 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000551070732 531531231 /nfs/dbraw/zinc/53/12/31/531531231.db2.gz FIUWUPYQGGAYJU-GFCCVEGCSA-N 1 0 386.315 1.824 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000415790991 531531866 /nfs/dbraw/zinc/53/18/66/531531866.db2.gz QDPQCOGLQUXWFB-GFCCVEGCSA-N 1 0 385.310 1.455 20 0 GDADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(CC)CC[NH+]1CCCCCC1 ZINC000557862653 531532231 /nfs/dbraw/zinc/53/22/31/531532231.db2.gz WSEXUQKMKZERML-MRXNPFEDSA-N 1 0 375.535 1.457 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000658975695 531536842 /nfs/dbraw/zinc/53/68/42/531536842.db2.gz HDWBRLFDFWUXFR-NSHDSACASA-N 1 0 390.893 1.090 20 0 GDADRO CN(CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C)C(=O)c1ccc(Br)o1 ZINC000636089218 531536968 /nfs/dbraw/zinc/53/69/68/531536968.db2.gz QGJGZJCWFPBUHK-NEPJUHHUSA-N 1 0 386.290 1.959 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415824531 531537938 /nfs/dbraw/zinc/53/79/38/531537938.db2.gz WAENHWRPBDRHIW-UHFFFAOYSA-N 1 0 384.274 1.915 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659080521 531537986 /nfs/dbraw/zinc/53/79/86/531537986.db2.gz GHWLCUZAPOTVHV-YUMQZZPRSA-N 1 0 376.201 1.862 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCC[NH2+]CC2)c2cc(Br)ccc21 ZINC000659074936 531538585 /nfs/dbraw/zinc/53/85/85/531538585.db2.gz SYJJEKMOMKDILT-UHFFFAOYSA-N 1 0 380.286 1.895 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000636199547 531540214 /nfs/dbraw/zinc/54/02/14/531540214.db2.gz BIMPRUGOIPEBJW-BNOWGMLFSA-N 1 0 382.448 1.733 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000659087471 531540366 /nfs/dbraw/zinc/54/03/66/531540366.db2.gz SAXCQZFGEDTJTQ-SSDOTTSWSA-N 1 0 378.654 1.903 20 0 GDADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C[C@@H](C)C1 ZINC000558022808 531540516 /nfs/dbraw/zinc/54/05/16/531540516.db2.gz CJWHGFWRGUBFHV-XQQFMLRXSA-N 1 0 398.301 1.961 20 0 GDADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCN3C)cc2s1 ZINC000415854223 531543474 /nfs/dbraw/zinc/54/34/74/531543474.db2.gz MSLATKUFUSWUGB-JTQLQIEISA-N 1 0 381.889 1.216 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000415852809 531543589 /nfs/dbraw/zinc/54/35/89/531543589.db2.gz RRSRXJNHSCIOQR-WDEREUQCSA-N 1 0 384.274 1.840 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000415852806 531543749 /nfs/dbraw/zinc/54/37/49/531543749.db2.gz RRSRXJNHSCIOQR-GHMZBOCLSA-N 1 0 384.274 1.840 20 0 GDADRO COC[C@]1(C(=O)OC)CCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000295230474 531544306 /nfs/dbraw/zinc/54/43/06/531544306.db2.gz WVBCODAVBYZXDQ-CJNGLKHVSA-N 1 0 385.258 1.487 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCN1c2ccc(Br)cc2OCC1=O ZINC000582242761 531544092 /nfs/dbraw/zinc/54/40/92/531544092.db2.gz PVQOOOZADKPNKJ-GHMZBOCLSA-N 1 0 384.274 1.807 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cccc(I)c1 ZINC000415861542 531545107 /nfs/dbraw/zinc/54/51/07/531545107.db2.gz QEYZFYHSOMYFPY-UHFFFAOYSA-N 1 0 387.221 1.488 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CCCO1 ZINC000415863407 531545183 /nfs/dbraw/zinc/54/51/83/531545183.db2.gz RMPIMECHPRYFEF-SECBINFHSA-N 1 0 392.200 1.242 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415869885 531545885 /nfs/dbraw/zinc/54/58/85/531545885.db2.gz OHYJRCAXUAURNJ-GFCCVEGCSA-N 1 0 384.274 1.963 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000415865741 531546478 /nfs/dbraw/zinc/54/64/78/531546478.db2.gz ZONVZTRGUAECBB-MRVPVSSYSA-N 1 0 379.675 1.605 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000415865742 531546914 /nfs/dbraw/zinc/54/69/14/531546914.db2.gz ZONVZTRGUAECBB-QMMMGPOBSA-N 1 0 379.675 1.605 20 0 GDADRO [NH3+]C1(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCCC1 ZINC000659490734 531548122 /nfs/dbraw/zinc/54/81/22/531548122.db2.gz FDKRKNPUFJMPNM-UHFFFAOYSA-N 1 0 392.884 1.328 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415870819 531548321 /nfs/dbraw/zinc/54/83/21/531548321.db2.gz NNBBDHPHGFBGTQ-NQBHXWOUSA-N 1 0 396.285 1.901 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659675803 531550579 /nfs/dbraw/zinc/55/05/79/531550579.db2.gz YBCIEGIGQWZXJF-LBPRGKRZSA-N 1 0 382.302 1.884 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000280890730 531552811 /nfs/dbraw/zinc/55/28/11/531552811.db2.gz NTTAJDWKOHPKCA-WKPIXPDZSA-N 1 0 395.301 1.757 20 0 GDADRO Nc1ncc(Br)cc1CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415954956 531552960 /nfs/dbraw/zinc/55/29/60/531552960.db2.gz HHGARGAPJLLHMZ-GFCCVEGCSA-N 1 0 391.273 1.959 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C[C@@H]1[NH3+] ZINC000658974758 531533754 /nfs/dbraw/zinc/53/37/54/531533754.db2.gz ZGPXHIFJFHWQSW-BZPMIXESSA-N 1 0 380.286 1.998 20 0 GDADRO C[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C[C@@H]1[NH3+] ZINC000658974379 531535057 /nfs/dbraw/zinc/53/50/57/531535057.db2.gz UFGPZOXNIWGLQL-HIFRSBDPSA-N 1 0 385.555 1.661 20 0 GDADRO CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000416015349 531553196 /nfs/dbraw/zinc/55/31/96/531553196.db2.gz WDOGIIWTAPYQFD-NWDGAFQWSA-N 1 0 382.408 1.364 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NCCS(N)(=O)=O)c1ccccc1Cl ZINC000611664418 531535729 /nfs/dbraw/zinc/53/57/29/531535729.db2.gz JJZXMSYPKLIFGJ-CQSZACIVSA-N 1 0 376.910 1.311 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415816233 531535671 /nfs/dbraw/zinc/53/56/71/531535671.db2.gz XRORBJSDHURXSS-ZJUUUORDSA-N 1 0 380.246 1.425 20 0 GDADRO CN(C(=O)C(=O)Nc1cccc(F)c1I)C1CC([NH3+])C1 ZINC000415817689 531535872 /nfs/dbraw/zinc/53/58/72/531535872.db2.gz VDISBJNIXBPQGX-UHFFFAOYSA-N 1 0 391.184 1.317 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000612657534 531554781 /nfs/dbraw/zinc/55/47/81/531554781.db2.gz ALGCYEACQNCJIW-NSHDSACASA-N 1 0 397.273 1.608 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491596139 531555420 /nfs/dbraw/zinc/55/54/20/531555420.db2.gz HPIWYDRDEFBYHA-KBPBESRZSA-N 1 0 389.543 1.088 20 0 GDADRO CCn1c(CNC(=O)C(=O)N[C@H](C)C[NH2+]C)nc2cc(Br)ccc21 ZINC000659708456 531555425 /nfs/dbraw/zinc/55/54/25/531555425.db2.gz RKFPRIPZJGCJSL-SNVBAGLBSA-N 1 0 396.289 1.159 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000659709332 531555504 /nfs/dbraw/zinc/55/55/04/531555504.db2.gz HQZJBBQQJKXSFU-GFCCVEGCSA-N 1 0 385.295 1.510 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)Cc1cccc(Br)c1 ZINC000659695880 531555508 /nfs/dbraw/zinc/55/55/08/531555508.db2.gz GJENTNHHNZUQCB-QWHCGFSZSA-N 1 0 384.318 1.858 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000659701080 531555604 /nfs/dbraw/zinc/55/56/04/531555604.db2.gz CVBSOWVBMYHSHL-GFCCVEGCSA-N 1 0 383.543 1.114 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(F)c(I)c1 ZINC000268692238 531555598 /nfs/dbraw/zinc/55/55/98/531555598.db2.gz PDOZZWKEDKNHOF-NSHDSACASA-N 1 0 391.228 1.406 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000659693216 531555781 /nfs/dbraw/zinc/55/57/81/531555781.db2.gz DLBVTZKTWXBWHU-FTMAYTQWSA-N 1 0 396.310 1.662 20 0 GDADRO O=C(Nc1ccncc1I)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000612757375 531555951 /nfs/dbraw/zinc/55/59/51/531555951.db2.gz BTDUJEJVQXURJI-NSHDSACASA-N 1 0 386.237 1.714 20 0 GDADRO CC[NH+](CC)CCNC(=O)N(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000558348517 531556680 /nfs/dbraw/zinc/55/66/80/531556680.db2.gz OPWPXXSXBQNZQM-OAHLLOKOSA-N 1 0 376.567 1.420 20 0 GDADRO CCOC[C@H](C)CS(=O)(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000451158445 531557991 /nfs/dbraw/zinc/55/79/91/531557991.db2.gz KWEFWFBHXOJUDZ-GVDBMIGSSA-N 1 0 376.563 1.810 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000659740516 531559112 /nfs/dbraw/zinc/55/91/12/531559112.db2.gz NZRYGRRZYJRPSI-UHFFFAOYSA-N 1 0 396.260 1.341 20 0 GDADRO C[C@]1(NC(=O)NCCCNC(=O)c2cccc(Br)c2)CC[NH2+]C1 ZINC000612876810 531559334 /nfs/dbraw/zinc/55/93/34/531559334.db2.gz YHJCIFNATVXKPF-INIZCTEOSA-N 1 0 383.290 1.620 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCc2c(Br)cccc2C1 ZINC000659746110 531559561 /nfs/dbraw/zinc/55/95/61/531559561.db2.gz ZBIHWLFYCMQKCY-UHFFFAOYSA-N 1 0 378.270 1.202 20 0 GDADRO C[C@]1(NC(=O)NCc2ccc(Br)cc2N2CCOCC2)CC[NH2+]C1 ZINC000612898609 531560285 /nfs/dbraw/zinc/56/02/85/531560285.db2.gz YPBXLSDKBSWURN-KRWDZBQOSA-N 1 0 397.317 1.837 20 0 GDADRO CCOC(=O)CN(C)C(=O)CN(C)C[C@@H](O)c1ccccc1Br ZINC000295328811 531561779 /nfs/dbraw/zinc/56/17/79/531561779.db2.gz MQTBRLGEQFDDIL-CQSZACIVSA-N 1 0 387.274 1.436 20 0 GDADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[NH+]1CC(C)C1 ZINC000553176866 531561691 /nfs/dbraw/zinc/56/16/91/531561691.db2.gz XHKXFYPHNZLISY-AWEZNQCLSA-N 1 0 385.917 1.513 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl)C(F)(F)F ZINC000416034394 531553891 /nfs/dbraw/zinc/55/38/91/531553891.db2.gz TYOHIUURTQSWGQ-VXGBXAGGSA-N 1 0 378.782 1.802 20 0 GDADRO COc1cc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)sc1Br ZINC000552206477 531553974 /nfs/dbraw/zinc/55/39/74/531553974.db2.gz WBZCPHNESMOANA-AWEZNQCLSA-N 1 0 375.288 1.706 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[N@H+](C)CC)c(F)c1 ZINC000451133104 531554177 /nfs/dbraw/zinc/55/41/77/531554177.db2.gz YNDMGYZWXYQICI-UHFFFAOYSA-N 1 0 381.495 1.207 20 0 GDADRO CC(=O)NCCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000552214818 531554737 /nfs/dbraw/zinc/55/47/37/531554737.db2.gz MPNABZKKPMEOSI-LBPRGKRZSA-N 1 0 379.682 1.958 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000268804126 531573087 /nfs/dbraw/zinc/57/30/87/531573087.db2.gz IJDZOQNIADSGAD-ZDUSSCGKSA-N 1 0 392.543 1.421 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000583371704 531573711 /nfs/dbraw/zinc/57/37/11/531573711.db2.gz ZXTPVQYQDIGZHB-IDTSFGKNSA-N 1 0 380.286 1.617 20 0 GDADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268814127 531574679 /nfs/dbraw/zinc/57/46/79/531574679.db2.gz NAWBHSQLOVTPIJ-CYBMUJFWSA-N 1 0 389.543 1.380 20 0 GDADRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1Cl ZINC000268876574 531580349 /nfs/dbraw/zinc/58/03/49/531580349.db2.gz BOYUNIQFAJJCAC-LBPRGKRZSA-N 1 0 389.905 1.678 20 0 GDADRO C[N@H+](C[C@@H](O)CN1CCNC(=O)[C@@H]1c1ccccc1Br)C1CC1 ZINC000554934832 531580017 /nfs/dbraw/zinc/58/00/17/531580017.db2.gz IYZGNFRHLNXVIZ-CJNGLKHVSA-N 1 0 382.302 1.377 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000364602985 531580855 /nfs/dbraw/zinc/58/08/55/531580855.db2.gz RAVJHLKPBRJXFS-YJBOKZPZSA-N 1 0 392.297 1.733 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000364602984 531580520 /nfs/dbraw/zinc/58/05/20/531580520.db2.gz RAVJHLKPBRJXFS-QAPCUYQASA-N 1 0 392.297 1.733 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(CCCO)C2)c(Cl)c1 ZINC000295461659 531583119 /nfs/dbraw/zinc/58/31/19/531583119.db2.gz ZTRQHZWBIBXQPN-CYBMUJFWSA-N 1 0 390.889 1.252 20 0 GDADRO Cc1nc(NCC2([NH+]3CCSCC3)CCCCC2)sc1S(N)(=O)=O ZINC000558787216 531584314 /nfs/dbraw/zinc/58/43/14/531584314.db2.gz GRVJMBBEQPNLFP-UHFFFAOYSA-N 1 0 390.600 2.263 20 0 GDADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1 ZINC000660028522 531586685 /nfs/dbraw/zinc/58/66/85/531586685.db2.gz WCRXRCDEHFINNN-LBPRGKRZSA-N 1 0 390.303 1.311 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(NS(C)(=O)=O)c1 ZINC000583646791 531586791 /nfs/dbraw/zinc/58/67/91/531586791.db2.gz KMWLIEJNHUMDBC-BBRMVZONSA-N 1 0 389.543 1.523 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)[C@H](C)C[NH2+]1 ZINC000583631859 531587876 /nfs/dbraw/zinc/58/78/76/531587876.db2.gz FPORQGKGXGEYDD-GHMZBOCLSA-N 1 0 379.404 1.193 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(NS(C)(=O)=O)c1 ZINC000583646793 531588107 /nfs/dbraw/zinc/58/81/07/531588107.db2.gz KMWLIEJNHUMDBC-CZUORRHYSA-N 1 0 389.543 1.523 20 0 GDADRO CC(C)(CCS(=O)(=O)NC1CC[NH+](CC2CCCC2)CC1)S(C)(=O)=O ZINC000416388374 531592557 /nfs/dbraw/zinc/59/25/57/531592557.db2.gz VOHUXMPXOIHHAC-UHFFFAOYSA-N 1 0 394.603 1.774 20 0 GDADRO CNC(=O)c1cccc(NC(=O)NCCOCC[NH+](C)C)c1Br ZINC000494312500 531595941 /nfs/dbraw/zinc/59/59/41/531595941.db2.gz CYNDRUUCDAYHIQ-UHFFFAOYSA-N 1 0 387.278 1.508 20 0 GDADRO C[C@@H](c1ccccc1Br)N(C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000583861450 531600298 /nfs/dbraw/zinc/60/02/98/531600298.db2.gz DBMANJRUFQCSBV-LBPRGKRZSA-N 1 0 383.290 1.583 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)c1OC ZINC000583871456 531602314 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CC(C)NC(=O)NCCn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641101368 531777927 /nfs/dbraw/zinc/77/79/27/531777927.db2.gz RBFSVFTVUNNHBV-CQSZACIVSA-N 1 0 381.278 1.796 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NC[C@H]2CCC[NH2+]2)s1 ZINC000417516357 531777972 /nfs/dbraw/zinc/77/79/72/531777972.db2.gz NJGRJOQHFOHJQB-CYBMUJFWSA-N 1 0 388.559 1.372 20 0 GDADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000297290108 531778786 /nfs/dbraw/zinc/77/87/86/531778786.db2.gz CYAXFXRDPVEHLA-NOZJJQNGSA-N 1 0 375.288 1.804 20 0 GDADRO O=C(CN1CC[NH2+]CC1)NCc1cn(Cc2cc(Cl)cc(Cl)c2)nn1 ZINC000641131508 531779960 /nfs/dbraw/zinc/77/99/60/531779960.db2.gz KCBBSHQNNXUPQG-UHFFFAOYSA-N 1 0 383.283 1.155 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418085507 531801451 /nfs/dbraw/zinc/80/14/51/531801451.db2.gz ABPYFEQEBMDHRS-SLEUVZQESA-N 1 0 395.301 1.933 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@H](C[NH3+])C2CC2)cc1C(F)(F)F ZINC000418087200 531801536 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BGNJIDBPKOMEBK-UHFFFAOYSA-N 1 0 386.290 1.970 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000622886957 531789425 /nfs/dbraw/zinc/78/94/25/531789425.db2.gz HIPNSJMNZLFCMR-LBPRGKRZSA-N 1 0 379.262 1.591 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)s1 ZINC000297418977 531789529 /nfs/dbraw/zinc/78/95/29/531789529.db2.gz MGWFIXZIZUZOLV-INIZCTEOSA-N 1 0 386.543 1.284 20 0 GDADRO [NH3+]CCCCc1cn(C[C@@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641228072 531789689 /nfs/dbraw/zinc/78/96/89/531789689.db2.gz AXCMEMMOXVCXCU-CQSZACIVSA-N 1 0 387.253 1.901 20 0 GDADRO O=C1CC[C@@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C2(CCC2)N1 ZINC000282743420 531789906 /nfs/dbraw/zinc/78/99/06/531789906.db2.gz JKQSGBXVEPESRH-CYBMUJFWSA-N 1 0 391.273 1.716 20 0 GDADRO C[N@@H+]1CCN(CCNS(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1(C)C ZINC000282732555 531790533 /nfs/dbraw/zinc/79/05/33/531790533.db2.gz ZXKGBKJFINMGDZ-UHFFFAOYSA-N 1 0 377.913 1.925 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)s1 ZINC000417911508 531790608 /nfs/dbraw/zinc/79/06/08/531790608.db2.gz MDEFCFUAEWEFGZ-JSGCOSHPSA-N 1 0 388.559 1.331 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N[C@@H](C)CCCC[NH3+])c(C)s1 ZINC000417913171 531791339 /nfs/dbraw/zinc/79/13/39/531791339.db2.gz POQACQMQVVOKOQ-NSHDSACASA-N 1 0 376.548 1.460 20 0 GDADRO COC(=O)C[C@H](NC(=O)COC1(C)C[NH2+]C1)c1ccc(Br)cc1 ZINC000592492924 531792454 /nfs/dbraw/zinc/79/24/54/531792454.db2.gz HVHAVUSLZSOWNQ-ZDUSSCGKSA-N 1 0 385.258 1.548 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000417941472 531792685 /nfs/dbraw/zinc/79/26/85/531792685.db2.gz ZYNDRLZEIWDUAE-VHSXEESVSA-N 1 0 380.923 1.249 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ncc(I)s1 ZINC000592523045 531793817 /nfs/dbraw/zinc/79/38/17/531793817.db2.gz IKWMWIKFSJMFDR-SECBINFHSA-N 1 0 394.282 1.300 20 0 GDADRO CCC[NH+]1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000668175323 531793933 /nfs/dbraw/zinc/79/39/33/531793933.db2.gz SIXDXZMIHKZJDB-UHFFFAOYSA-N 1 0 379.262 1.593 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)Cn2cccn2)s1 ZINC000562983950 531794658 /nfs/dbraw/zinc/79/46/58/531794658.db2.gz HGGPKFUEFMXOEF-AWEZNQCLSA-N 1 0 386.543 1.168 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)NCCC[NH3+])C2=O)ccc1Br ZINC000418002458 531795956 /nfs/dbraw/zinc/79/59/56/531795956.db2.gz AAIDRVINOHOZDZ-CQSZACIVSA-N 1 0 383.290 1.901 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417987942 531796042 /nfs/dbraw/zinc/79/60/42/531796042.db2.gz PIBGMIHBIURSBC-BBRMVZONSA-N 1 0 399.333 1.730 20 0 GDADRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623031049 531796393 /nfs/dbraw/zinc/79/63/93/531796393.db2.gz SLUIBHSCHDKPNX-UHFFFAOYSA-N 1 0 393.289 1.983 20 0 GDADRO COc1cc(CS(=O)(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)sn1 ZINC000641294107 531796779 /nfs/dbraw/zinc/79/67/79/531796779.db2.gz FRYZLLMXPNTRLH-MJBXVCDLSA-N 1 0 389.543 1.555 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)NC[C@@H]([NH3+])C3CC3)C2=O)ccc1Br ZINC000418019496 531797373 /nfs/dbraw/zinc/79/73/73/531797373.db2.gz XKHXCVVKNDJWBO-CABCVRRESA-N 1 0 395.301 1.899 20 0 GDADRO Cc1cnc([C@H](C)CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000418017388 531797796 /nfs/dbraw/zinc/79/77/96/531797796.db2.gz HHLCJMNUQGMJLU-PWSUYJOCSA-N 1 0 379.452 1.690 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncc(Br)s1 ZINC000623069917 531798433 /nfs/dbraw/zinc/79/84/33/531798433.db2.gz SQDKJMMBZDVHRR-SSDOTTSWSA-N 1 0 387.225 1.472 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000668505656 531802264 /nfs/dbraw/zinc/80/22/64/531802264.db2.gz CACUTDZBWGSEGU-DAXOMENPSA-N 1 0 388.917 1.479 20 0 GDADRO O=C(NCCCCn1cc(Br)cn1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000418111092 531802776 /nfs/dbraw/zinc/80/27/76/531802776.db2.gz XHLVNQBHLJBAFK-HNNXBMFYSA-N 1 0 399.337 1.115 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2cncc(Br)c2)CC1 ZINC000592818902 531803234 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20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418152730 531806444 /nfs/dbraw/zinc/80/64/44/531806444.db2.gz HYQPMBWYEPWEPL-NOZJJQNGSA-N 1 0 387.253 1.225 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC[NH2+]1 ZINC000418157813 531807961 /nfs/dbraw/zinc/80/79/61/531807961.db2.gz BQDSFQOSGPNJAV-JQWIXIFHSA-N 1 0 392.884 1.197 20 0 GDADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000563122161 531809106 /nfs/dbraw/zinc/80/91/06/531809106.db2.gz KMFZYYOJLHHKIA-CQSZACIVSA-N 1 0 381.475 1.415 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)CC12CCOCC2 ZINC000563130273 531810868 /nfs/dbraw/zinc/81/08/68/531810868.db2.gz YEHPJJSOPBULJO-SNVBAGLBSA-N 1 0 379.276 1.418 20 0 GDADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCO[C@]3(CCSC3)C2)cc1Cl ZINC000515838173 531811976 /nfs/dbraw/zinc/81/19/76/531811976.db2.gz OCWAKFCFLOTUSA-QGZVFWFLSA-N 1 0 383.901 1.975 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418173170 531812231 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/nfs/dbraw/zinc/82/32/87/531823287.db2.gz DUMNVZSNFUEDII-CYBMUJFWSA-N 1 0 388.921 1.211 20 0 GDADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000418413227 531824559 /nfs/dbraw/zinc/82/45/59/531824559.db2.gz YSBYFBRDZYEQOI-HUUCEWRRSA-N 1 0 386.290 1.870 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)C1CC1 ZINC000418399412 531825037 /nfs/dbraw/zinc/82/50/37/531825037.db2.gz KWSIKDBQXIGAJM-XHDPSFHLSA-N 1 0 388.281 1.776 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418472998 531825796 /nfs/dbraw/zinc/82/57/96/531825796.db2.gz ODRMDKLWUPWRKY-NSHDSACASA-N 1 0 381.278 1.766 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000418461887 531825854 /nfs/dbraw/zinc/82/58/54/531825854.db2.gz ASXPFFAXWNLOLY-NWDGAFQWSA-N 1 0 398.305 1.799 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)NC[C@H](C)C[NH3+] ZINC000418476140 531826005 /nfs/dbraw/zinc/82/60/05/531826005.db2.gz SARTTYPEXYXPKG-SNVBAGLBSA-N 1 0 391.335 1.753 20 0 GDADRO O=C(CCOc1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670409665 531829955 /nfs/dbraw/zinc/82/99/55/531829955.db2.gz RRAXTGWHGRBJFV-OAHLLOKOSA-N 1 0 382.302 1.724 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)NCC1C[NH2+]C1 ZINC000418493416 531827629 /nfs/dbraw/zinc/82/76/29/531827629.db2.gz WKFJXMDULGIRKD-NSHDSACASA-N 1 0 386.290 1.127 20 0 GDADRO [NH3+]CCCCNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000418511142 531827716 /nfs/dbraw/zinc/82/77/16/531827716.db2.gz OTHUUFWDLZSLFW-GFCCVEGCSA-N 1 0 398.305 1.943 20 0 GDADRO [NH3+]C1(CNC(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)CCC1 ZINC000418506842 531828046 /nfs/dbraw/zinc/82/80/46/531828046.db2.gz HLSFHPZYXQQYHI-LBPRGKRZSA-N 1 0 388.281 1.920 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=O)N[C@@H](C)CC[NH3+])cc1Br ZINC000418515996 531828146 /nfs/dbraw/zinc/82/81/46/531828146.db2.gz BZHQTRFIOOWPAR-AAEUAGOBSA-N 1 0 388.306 1.645 20 0 GDADRO COCC[NH2+]CCNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000418509403 531828473 /nfs/dbraw/zinc/82/84/73/531828473.db2.gz OQXOGCMFFHWPEC-OAHLLOKOSA-N 1 0 386.290 1.768 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCc2cccc(Br)c2)C1 ZINC000418280745 531819714 /nfs/dbraw/zinc/81/97/14/531819714.db2.gz MOGPNAPSJRYBIC-AWEZNQCLSA-N 1 0 397.317 1.488 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN1CCO[C@H](c2cccc(Br)c2)C1 ZINC000563356793 531829809 /nfs/dbraw/zinc/82/98/09/531829809.db2.gz RVZLTQFVJSOLFM-IRXDYDNUSA-N 1 0 387.318 1.762 20 0 GDADRO COC[C@@]1(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)CCC[NH2+]1 ZINC000418630039 531832970 /nfs/dbraw/zinc/83/29/70/531832970.db2.gz DTAFRRVPNICIAH-HOCLYGCPSA-N 1 0 386.290 1.550 20 0 GDADRO Cc1csc(C(C)(C)NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000418623703 531832979 /nfs/dbraw/zinc/83/29/79/531832979.db2.gz XNHMMWRGCCVXLU-NSHDSACASA-N 1 0 379.452 1.822 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000418688340 531834272 /nfs/dbraw/zinc/83/42/72/531834272.db2.gz AVBBPIUYBMCMHV-DCAQKATOSA-N 1 0 376.270 1.774 20 0 GDADRO Cc1ccc(C[C@H](CO)CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Br ZINC000418679096 531834623 /nfs/dbraw/zinc/83/46/23/531834623.db2.gz WKNCBSXHADIBTR-TTZDDIAXSA-N 1 0 382.302 1.426 20 0 GDADRO O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418682051 531834659 /nfs/dbraw/zinc/83/46/59/531834659.db2.gz ZFXSVNITIZOGQV-FJJYHAOUSA-N 1 0 386.265 1.256 20 0 GDADRO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[C@H](C)[NH3+] ZINC000418713386 531834753 /nfs/dbraw/zinc/83/47/53/531834753.db2.gz XWJHZAWMRIOAKE-VHSXEESVSA-N 1 0 380.923 1.153 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000270173248 531836682 /nfs/dbraw/zinc/83/66/82/531836682.db2.gz DCJYDZTUMSGMCF-HNNXBMFYSA-N 1 0 385.555 1.737 20 0 GDADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC(n2cc(Br)cn2)CC1 ZINC000418755824 531837755 /nfs/dbraw/zinc/83/77/55/531837755.db2.gz XRWCZRBICOAMFB-GFCCVEGCSA-N 1 0 392.248 1.989 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000418764393 531838066 /nfs/dbraw/zinc/83/80/66/531838066.db2.gz AFLIOFHTFVZTLV-DGCLKSJQSA-N 1 0 398.301 1.517 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000624367356 531838788 /nfs/dbraw/zinc/83/87/88/531838788.db2.gz SEJJBWKKVQQHFC-NWDGAFQWSA-N 1 0 380.436 1.839 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000418773365 531839352 /nfs/dbraw/zinc/83/93/52/531839352.db2.gz CBQHGQRSJVKTPZ-GFCCVEGCSA-N 1 0 384.274 1.414 20 0 GDADRO C[C@@H]1CN(CCS(=O)(=O)CC(=O)OC(C)(C)C)CC2(CCOCC2)O1 ZINC000367356297 531830505 /nfs/dbraw/zinc/83/05/05/531830505.db2.gz LSQUHTCLBRIGAS-CQSZACIVSA-N 1 0 377.503 1.013 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418580361 531831322 /nfs/dbraw/zinc/83/13/22/531831322.db2.gz SNJVYHRFBKVDPI-XPKDYRNWSA-N 1 0 384.318 1.897 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2Br)C1 ZINC000418832124 531849278 /nfs/dbraw/zinc/84/92/78/531849278.db2.gz YYINBNSIIGWPFM-CMPLNLGQSA-N 1 0 386.265 1.790 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000367619503 531850154 /nfs/dbraw/zinc/85/01/54/531850154.db2.gz WSWWIEBKDZLCFN-OAHLLOKOSA-N 1 0 380.432 1.888 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ncccc2Br)C[C@@H]1[NH+](C)C ZINC000594764602 531855457 /nfs/dbraw/zinc/85/54/57/531855457.db2.gz AYVFOICEHPTHLG-QWRGUYRKSA-N 1 0 380.333 1.510 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418839885 531850852 /nfs/dbraw/zinc/85/08/52/531850852.db2.gz ZJWWDRSFRBOTFM-WKVXFZQGSA-N 1 0 392.297 1.820 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)CCNS(=O)(=O)c3cccs3)C2)CC1 ZINC000270259758 531850872 /nfs/dbraw/zinc/85/08/72/531850872.db2.gz RLQPSJPFJUIZCW-OAHLLOKOSA-N 1 0 385.555 1.607 20 0 GDADRO O=C(Cc1ccc(I)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594391749 531851313 /nfs/dbraw/zinc/85/13/13/531851313.db2.gz CZTZGNZDFAHUFE-UONOGXRCSA-N 1 0 386.233 1.111 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CCN2C1=O ZINC000563548877 531851797 /nfs/dbraw/zinc/85/17/97/531851797.db2.gz AQZQHPTZCXTKPH-CABZTGNLSA-N 1 0 391.686 1.829 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000418845320 531851990 /nfs/dbraw/zinc/85/19/90/531851990.db2.gz OMQDYNRITOKTDG-GFCCVEGCSA-N 1 0 382.302 1.694 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000418843727 531852306 /nfs/dbraw/zinc/85/23/06/531852306.db2.gz KMKARUMZBNKLTF-SWLSCSKDSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418846866 531852667 /nfs/dbraw/zinc/85/26/67/531852667.db2.gz SWXTVVGQSKTOSJ-OLZOCXBDSA-N 1 0 382.302 1.612 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccccc2Br)[C@H](C[NH3+])C1 ZINC000418847732 531852772 /nfs/dbraw/zinc/85/27/72/531852772.db2.gz JSELWFLQVUOPEY-FRRDWIJNSA-N 1 0 398.301 1.591 20 0 GDADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418846105 531853022 /nfs/dbraw/zinc/85/30/22/531853022.db2.gz QMZXQYHOABYMGC-ZDUSSCGKSA-N 1 0 393.285 1.457 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418848446 531853292 /nfs/dbraw/zinc/85/32/92/531853292.db2.gz YRXXPJMYLNMINL-YNEHKIRRSA-N 1 0 382.302 1.705 20 0 GDADRO COc1cc(S(=O)(=O)NCCC(C)(C)[NH3+])c(OC)cc1Br ZINC000641806136 531853660 /nfs/dbraw/zinc/85/36/60/531853660.db2.gz MEMOOXCZORKWTL-UHFFFAOYSA-N 1 0 381.292 1.872 20 0 GDADRO O=C(NCc1ccc(Br)cc1N1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000563585750 531854211 /nfs/dbraw/zinc/85/42/11/531854211.db2.gz JEUDCDVFXLMJCV-HNNXBMFYSA-N 1 0 397.317 1.837 20 0 GDADRO COC(=O)c1coc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000367692432 531854986 /nfs/dbraw/zinc/85/49/86/531854986.db2.gz ZLDAGAPQSFNONA-GFCCVEGCSA-N 1 0 384.479 1.928 20 0 GDADRO Cc1cc(S(=O)(=O)NCC2([NH3+])CCOCC2)c(C)cc1Br ZINC000624386582 531840491 /nfs/dbraw/zinc/84/04/91/531840491.db2.gz PJERPBNKNYRCTC-UHFFFAOYSA-N 1 0 377.304 1.852 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000418792498 531841062 /nfs/dbraw/zinc/84/10/62/531841062.db2.gz ZVOLZHCFDWCAIJ-PHIMTYICSA-N 1 0 384.274 1.283 20 0 GDADRO O=C(CNC(=O)NC[C@@H]1C[NH2+]CCCO1)Nc1cccc(Br)c1 ZINC000418790197 531841330 /nfs/dbraw/zinc/84/13/30/531841330.db2.gz MLNOOSJMNBZCFB-ZDUSSCGKSA-N 1 0 385.262 1.065 20 0 GDADRO C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C[NH2+]1 ZINC000624405034 531842208 /nfs/dbraw/zinc/84/22/08/531842208.db2.gz ANSYKSMHZKQFDI-WDEREUQCSA-N 1 0 376.320 1.934 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000624404209 531843119 /nfs/dbraw/zinc/84/31/19/531843119.db2.gz KJCHCHPHGAMXDX-KOLCDFICSA-N 1 0 375.878 1.726 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000624404210 531843368 /nfs/dbraw/zinc/84/33/68/531843368.db2.gz KJCHCHPHGAMXDX-MWLCHTKSSA-N 1 0 375.878 1.726 20 0 GDADRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)C[NH2+]1 ZINC000624406147 531845086 /nfs/dbraw/zinc/84/50/86/531845086.db2.gz WBUBYVXZNBITFM-HTQZYQBOSA-N 1 0 389.275 1.450 20 0 GDADRO CC(C)O[C@]1(CS(=O)(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)CCOC1 ZINC000641623140 531845131 /nfs/dbraw/zinc/84/51/31/531845131.db2.gz FLFWFUFIRXFVMJ-FGTMMUONSA-N 1 0 376.563 1.953 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000563446782 531845470 /nfs/dbraw/zinc/84/54/70/531845470.db2.gz XEXXLTMHUWCSQQ-KWQFWETISA-N 1 0 381.267 1.873 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1O ZINC000563523872 531848351 /nfs/dbraw/zinc/84/83/51/531848351.db2.gz XJSVNGWFVOUJAQ-CQDKDKBSSA-N 1 0 386.279 1.480 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000595121782 531866792 /nfs/dbraw/zinc/86/67/92/531866792.db2.gz RKHQDIOJVJOYIL-UHFFFAOYSA-N 1 0 378.372 1.522 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000642980780 531867255 /nfs/dbraw/zinc/86/72/55/531867255.db2.gz LOZBAOMUXXCMQT-CYBMUJFWSA-N 1 0 398.276 1.731 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Cc3csc(-c4ccc(Cl)s4)n3)CCN2C1=O ZINC000563976195 531867390 /nfs/dbraw/zinc/86/73/90/531867390.db2.gz SYWUTTZHHZGNBX-MNOVXSKESA-N 1 0 396.925 1.838 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000270420827 531867609 /nfs/dbraw/zinc/86/76/09/531867609.db2.gz KZOCREAMDKLVJI-CYBMUJFWSA-N 1 0 394.273 1.480 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000418941284 531867782 /nfs/dbraw/zinc/86/77/82/531867782.db2.gz KAKUZEUCGZTJFI-NHYWBVRUSA-N 1 0 380.286 1.621 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])cc1Cl ZINC000563957704 531867937 /nfs/dbraw/zinc/86/79/37/531867937.db2.gz MUURQJHEPHUQBQ-QWRGUYRKSA-N 1 0 378.878 1.484 20 0 GDADRO O=S(=O)(CC1CCS(=O)(=O)CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367816272 531868291 /nfs/dbraw/zinc/86/82/91/531868291.db2.gz NUMFZIWXSNBBMD-DOTOQJQBSA-N 1 0 390.571 1.090 20 0 GDADRO CNC(=O)c1cccc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1Br ZINC000672834838 531868880 /nfs/dbraw/zinc/86/88/80/531868880.db2.gz GHQHJAXKLPDDEZ-NSHDSACASA-N 1 0 398.305 1.176 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418853933 531856130 /nfs/dbraw/zinc/85/61/30/531856130.db2.gz SRAZJXPGZJHMRV-BDAKNGLRSA-N 1 0 378.231 1.496 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Br)cn1 ZINC000418858963 531856226 /nfs/dbraw/zinc/85/62/26/531856226.db2.gz AHXJFIXLLBHDCQ-WCFLWFBJSA-N 1 0 381.274 1.374 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000418865326 531857073 /nfs/dbraw/zinc/85/70/73/531857073.db2.gz LBYAAHBSKGVJAD-DGCLKSJQSA-N 1 0 383.290 1.622 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000418861267 531857631 /nfs/dbraw/zinc/85/76/31/531857631.db2.gz GEJQCJUTPCMARS-CYBMUJFWSA-N 1 0 397.317 1.212 20 0 GDADRO O=S(=O)(NC[C@H]1CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1)C1CC1 ZINC000563647689 531857987 /nfs/dbraw/zinc/85/79/87/531857987.db2.gz CKDXIEMXDGXMEG-LLVKDONJSA-N 1 0 394.406 1.994 20 0 GDADRO CCCN(C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1)[C@@H]1CC[NH2+]C1 ZINC000418866856 531858164 /nfs/dbraw/zinc/85/81/64/531858164.db2.gz NJWVCEGBTKLDTF-WCQYABFASA-N 1 0 383.290 1.622 20 0 GDADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000563677773 531859603 /nfs/dbraw/zinc/85/96/03/531859603.db2.gz DSBZCHFWVYRZMV-CYBMUJFWSA-N 1 0 388.559 1.446 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000367770652 531860046 /nfs/dbraw/zinc/86/00/46/531860046.db2.gz HVDSBZDURKWPNG-QWRGUYRKSA-N 1 0 395.250 1.214 20 0 GDADRO O=C(NCCc1ccc(Br)s1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642506520 531860765 /nfs/dbraw/zinc/86/07/65/531860765.db2.gz UWTSDYSGISYDGH-CMPLNLGQSA-N 1 0 386.315 1.380 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000671962289 531861256 /nfs/dbraw/zinc/86/12/56/531861256.db2.gz LSYSUXWWNZEKAQ-CQSZACIVSA-N 1 0 382.302 1.893 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2cc(Br)ccc2OC)CC[C@@H]1[NH3+] ZINC000642687355 531862174 /nfs/dbraw/zinc/86/21/74/531862174.db2.gz UFVKNHHYQYXCSW-RISCZKNCSA-N 1 0 398.301 1.660 20 0 GDADRO C[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000563707369 531862216 /nfs/dbraw/zinc/86/22/16/531862216.db2.gz LYFPBYPGOQVCIC-VHSXEESVSA-N 1 0 380.242 1.254 20 0 GDADRO OCCO[C@@]1(C[NH2+]Cc2ccc(F)cc2I)CCOC1 ZINC000594974574 531864066 /nfs/dbraw/zinc/86/40/66/531864066.db2.gz MGAGHXKRCSUYRX-CQSZACIVSA-N 1 0 395.212 1.688 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCOCc1ccc(Cl)cc1Cl ZINC000563808210 531864248 /nfs/dbraw/zinc/86/42/48/531864248.db2.gz FAWXCWJBGKVYCR-HNNXBMFYSA-N 1 0 388.295 1.885 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000418930817 531865023 /nfs/dbraw/zinc/86/50/23/531865023.db2.gz FCJLPSFPGLLYOP-UHFFFAOYSA-N 1 0 382.302 1.913 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000642946690 531865338 /nfs/dbraw/zinc/86/53/38/531865338.db2.gz WPXUINVJTBUJPY-INIZCTEOSA-N 1 0 388.917 1.465 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000564958145 531870844 /nfs/dbraw/zinc/87/08/44/531870844.db2.gz BLOOPNLCVXJWHG-UHFFFAOYSA-N 1 0 377.894 1.973 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000418947412 531870939 /nfs/dbraw/zinc/87/09/39/531870939.db2.gz PLYHTIKVNDEHIG-LLVKDONJSA-N 1 0 386.265 1.792 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000418950469 531871163 /nfs/dbraw/zinc/87/11/63/531871163.db2.gz OXCYQBWIPKBKGR-QWHCGFSZSA-N 1 0 398.301 1.387 20 0 GDADRO CC[NH2+]CCCNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000564958440 531871554 /nfs/dbraw/zinc/87/15/54/531871554.db2.gz MEERSQZQJJXZAX-UHFFFAOYSA-N 1 0 375.560 1.731 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C[C@H]1C[NH3+] ZINC000418951789 531872175 /nfs/dbraw/zinc/87/21/75/531872175.db2.gz XOCNANQEQXZYTK-KFNAQCHYSA-N 1 0 394.313 1.996 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418961163 531872250 /nfs/dbraw/zinc/87/22/50/531872250.db2.gz AZXXCGRRUYUQFB-BXKDBHETSA-N 1 0 394.273 1.056 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c(Cl)c1 ZINC000564967502 531873020 /nfs/dbraw/zinc/87/30/20/531873020.db2.gz PMUAPRXEBVOMQP-GFCCVEGCSA-N 1 0 389.905 1.357 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)cnc2c1Cl ZINC000564967490 531873183 /nfs/dbraw/zinc/87/31/83/531873183.db2.gz YSQUBENSPONOPA-CYBMUJFWSA-N 1 0 383.905 1.701 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)[C@@H](C)C[NH2+]1 ZINC000418973148 531873601 /nfs/dbraw/zinc/87/36/01/531873601.db2.gz OMGFBJFNQWLFCS-UWVGGRQHSA-N 1 0 394.273 1.150 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418970069 531874254 /nfs/dbraw/zinc/87/42/54/531874254.db2.gz KKSGUTCJALIYNB-NXEZZACHSA-N 1 0 394.273 1.137 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc(Br)c1C ZINC000565657669 531875414 /nfs/dbraw/zinc/87/54/14/531875414.db2.gz FKHLCRUTPRVTKA-MGCOHNPYSA-N 1 0 391.287 1.702 20 0 GDADRO CC1(C)CN(C(=O)NCCCn2cc(Br)cn2)CC[N@@H+]1CCO ZINC000673230061 531875719 /nfs/dbraw/zinc/87/57/19/531875719.db2.gz VGDHUXWHBNEHJB-UHFFFAOYSA-N 1 0 388.310 1.134 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000419007436 531878494 /nfs/dbraw/zinc/87/84/94/531878494.db2.gz JUPWYMVXSDLXPB-MJVIPROJSA-N 1 0 398.301 1.749 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000419004527 531878820 /nfs/dbraw/zinc/87/88/20/531878820.db2.gz FKVRZKJXLXYYFY-WCQYABFASA-N 1 0 398.301 1.845 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000419002158 531878943 /nfs/dbraw/zinc/87/89/43/531878943.db2.gz ZBEZRACPFRIXLJ-LSDHHAIUSA-N 1 0 398.301 1.073 20 0 GDADRO C[C@@H]1CC2(CN1C(=O)CCn1cc(Br)ccc1=O)CC[NH2+]CC2 ZINC000566095842 531879073 /nfs/dbraw/zinc/87/90/73/531879073.db2.gz XRQCJYUVYDACQV-CYBMUJFWSA-N 1 0 382.302 1.992 20 0 GDADRO CC1(C)CN(CC[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCO1 ZINC000566109949 531879679 /nfs/dbraw/zinc/87/96/79/531879679.db2.gz UKROSVZIUNGSFS-HNNXBMFYSA-N 1 0 387.318 1.889 20 0 GDADRO CS[C@H]1CN(C(=O)CSCc2cc(=O)n3ccsc3n2)C[C@H]1[NH+](C)C ZINC000270497479 531880175 /nfs/dbraw/zinc/88/01/75/531880175.db2.gz PCZYVRKLWLBUNY-OLZOCXBDSA-N 1 0 398.579 1.493 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000419016825 531880225 /nfs/dbraw/zinc/88/02/25/531880225.db2.gz FLSDQXQUDDLYPH-DYEKYZERSA-N 1 0 396.285 1.775 20 0 GDADRO O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566102346 531880353 /nfs/dbraw/zinc/88/03/53/531880353.db2.gz JPINFIVFTFALSV-PBHICJAKSA-N 1 0 383.539 1.503 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000566100214 531880425 /nfs/dbraw/zinc/88/04/25/531880425.db2.gz HDFNERXJRADWND-NXEZZACHSA-N 1 0 389.315 1.983 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000419018483 531881523 /nfs/dbraw/zinc/88/15/23/531881523.db2.gz HLKMJVFTCUKEKX-OLZOCXBDSA-N 1 0 384.318 1.858 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419018949 531881761 /nfs/dbraw/zinc/88/17/61/531881761.db2.gz ILFWXMMNRUKJAK-IUODEOHRSA-N 1 0 382.302 1.755 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000419018485 531881927 /nfs/dbraw/zinc/88/19/27/531881927.db2.gz HLKMJVFTCUKEKX-QWHCGFSZSA-N 1 0 384.318 1.858 20 0 GDADRO C[C@@H](CNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)[NH+](C)C ZINC000298375705 531881986 /nfs/dbraw/zinc/88/19/86/531881986.db2.gz WVDXOROCGWBILZ-NSHDSACASA-N 1 0 396.285 1.892 20 0 GDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000673626913 531882276 /nfs/dbraw/zinc/88/22/76/531882276.db2.gz DFZMPEVRDRCYSL-ZDUSSCGKSA-N 1 0 390.347 1.677 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCC[NH3+] ZINC000566240436 531882775 /nfs/dbraw/zinc/88/27/75/531882775.db2.gz WTFRVKDAWFPFCE-MRXNPFEDSA-N 1 0 381.523 1.315 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419029580 531883214 /nfs/dbraw/zinc/88/32/14/531883214.db2.gz YMPOWFDRRATUIO-DGCLKSJQSA-N 1 0 382.258 1.257 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c(OC)c1 ZINC000270547494 531891439 /nfs/dbraw/zinc/89/14/39/531891439.db2.gz ZYFYRPAZRSXSFP-LBPRGKRZSA-N 1 0 393.531 1.075 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)NCc1cc(Cl)ccc1Br)C1CC1 ZINC000647012581 531892579 /nfs/dbraw/zinc/89/25/79/531892579.db2.gz WQVPEXWNRQKVSL-UHFFFAOYSA-N 1 0 388.693 1.929 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419052797 531892634 /nfs/dbraw/zinc/89/26/34/531892634.db2.gz IJJDBDQFPBADKU-YWPYICTPSA-N 1 0 382.302 1.611 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419051672 531892662 /nfs/dbraw/zinc/89/26/62/531892662.db2.gz GIAMEHVGHJMXCI-GXTWGEPZSA-N 1 0 382.302 1.707 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419053403 531892874 /nfs/dbraw/zinc/89/28/74/531892874.db2.gz JVGIHIHAEZXJAV-ZFWWWQNUSA-N 1 0 382.302 1.740 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CC[C@H]1[NH3+] ZINC000647269952 531893526 /nfs/dbraw/zinc/89/35/26/531893526.db2.gz GUUJCKJJYHOQIA-ZWNOBZJWSA-N 1 0 389.905 1.456 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419054870 531893680 /nfs/dbraw/zinc/89/36/80/531893680.db2.gz MVBASLLYWIERSB-QWHCGFSZSA-N 1 0 382.302 1.612 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)[C@@H]1SC ZINC000298478647 531893902 /nfs/dbraw/zinc/89/39/02/531893902.db2.gz PJDSGIUCUZIEEU-INMHGKMJSA-N 1 0 388.555 1.298 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419054666 531893984 /nfs/dbraw/zinc/89/39/84/531893984.db2.gz MMNOAHZCJDSTIT-VHDGCEQUSA-N 1 0 394.313 1.564 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000595931901 531894099 /nfs/dbraw/zinc/89/40/99/531894099.db2.gz HZJWWTSTGTWKIO-XCBNKYQSSA-N 1 0 382.148 1.872 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419055631 531894323 /nfs/dbraw/zinc/89/43/23/531894323.db2.gz OPSKHXHGPWIVRF-XPTSAGLGSA-N 1 0 386.265 1.489 20 0 GDADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000567387984 531894443 /nfs/dbraw/zinc/89/44/43/531894443.db2.gz RTGMFXOBGQCESH-WDEREUQCSA-N 1 0 375.288 1.432 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000567386574 531895154 /nfs/dbraw/zinc/89/51/54/531895154.db2.gz UWRQVICDWQDSCW-GFCCVEGCSA-N 1 0 387.311 1.708 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419058237 531895526 /nfs/dbraw/zinc/89/55/26/531895526.db2.gz VYXGHPAECCILDW-KBPBESRZSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419059705 531896061 /nfs/dbraw/zinc/89/60/61/531896061.db2.gz YAEANCSQANSUKI-OLZOCXBDSA-N 1 0 382.302 1.612 20 0 GDADRO O=C(COc1ccc(F)cc1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707154 531896337 /nfs/dbraw/zinc/89/63/37/531896337.db2.gz XBZUYUWMEKYBIJ-QWHCGFSZSA-N 1 0 387.249 1.635 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419062979 531896395 /nfs/dbraw/zinc/89/63/95/531896395.db2.gz AZXCGKKCFPKMDA-CYBMUJFWSA-N 1 0 397.317 1.117 20 0 GDADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707901 531896849 /nfs/dbraw/zinc/89/68/49/531896849.db2.gz GACLQZREADISHP-KGLIPLIRSA-N 1 0 383.279 1.851 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)C[C@H]1[NH+](C)C ZINC000270581595 531897228 /nfs/dbraw/zinc/89/72/28/531897228.db2.gz QWGQPZTZZVFZLD-CABCVRRESA-N 1 0 375.491 1.450 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419075894 531897399 /nfs/dbraw/zinc/89/73/99/531897399.db2.gz GVGXYPMTIPJNMW-CQSZACIVSA-N 1 0 380.286 1.465 20 0 GDADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CNC(N)=O ZINC000567579213 531898366 /nfs/dbraw/zinc/89/83/66/531898366.db2.gz XTZJACUKFYLSJW-JTQLQIEISA-N 1 0 384.278 1.196 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000567581513 531898479 /nfs/dbraw/zinc/89/84/79/531898479.db2.gz FWXUPAAUSGXWIY-ZBFHGGJFSA-N 1 0 386.334 1.414 20 0 GDADRO O=S(=O)(CCNCCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000567582023 531898491 /nfs/dbraw/zinc/89/84/91/531898491.db2.gz ZAODWOPBYMHOPU-UHFFFAOYSA-N 1 0 386.470 1.168 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000298530329 531898938 /nfs/dbraw/zinc/89/89/38/531898938.db2.gz ZTIFXHYKDUVXKN-UHFFFAOYSA-N 1 0 386.326 1.449 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1F ZINC000567612546 531899281 /nfs/dbraw/zinc/89/92/81/531899281.db2.gz SZYHLKPLEDDDSD-MNOVXSKESA-N 1 0 381.495 1.380 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419038272 531885558 /nfs/dbraw/zinc/88/55/58/531885558.db2.gz JMWZXTGYPJKFFY-YNEHKIRRSA-N 1 0 398.276 1.709 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419036440 531885935 /nfs/dbraw/zinc/88/59/35/531885935.db2.gz GYIYYFKJUKJMRB-ZWNOBZJWSA-N 1 0 382.258 1.257 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419036751 531885948 /nfs/dbraw/zinc/88/59/48/531885948.db2.gz GZRFJMVKQNLDQY-BXUZGUMPSA-N 1 0 396.285 1.505 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(I)cn1 ZINC000455890203 531886554 /nfs/dbraw/zinc/88/65/54/531886554.db2.gz WWRQSEKDNOPSKC-LBPRGKRZSA-N 1 0 391.253 1.773 20 0 GDADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc(Br)cc2[nH]cnc21 ZINC000566455714 531887015 /nfs/dbraw/zinc/88/70/15/531887015.db2.gz QCTZIEPMALKZKQ-INIZCTEOSA-N 1 0 379.258 1.512 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419044558 531889695 /nfs/dbraw/zinc/88/96/95/531889695.db2.gz PZXKCUDBNKVUKG-CABZTGNLSA-N 1 0 375.803 1.672 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419046817 531889779 /nfs/dbraw/zinc/88/97/79/531889779.db2.gz ZFEHOKDBKLJAST-QWHCGFSZSA-N 1 0 384.274 1.488 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)[C@@H]1C[NH3+] ZINC000419044957 531890360 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20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419184522 531910675 /nfs/dbraw/zinc/91/06/75/531910675.db2.gz JVACMAKOHFKILW-LBPRGKRZSA-N 1 0 384.318 1.815 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)c2ccsc2S1 ZINC000675817696 531912905 /nfs/dbraw/zinc/91/29/05/531912905.db2.gz XDZZMOKRKPTLCV-GXTWGEPZSA-N 1 0 375.585 1.840 20 0 GDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(OC(F)F)cc1 ZINC000675819535 531913050 /nfs/dbraw/zinc/91/30/50/531913050.db2.gz OGGNSQRYFMBTRW-ZDUSSCGKSA-N 1 0 377.457 1.516 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419202153 531913598 /nfs/dbraw/zinc/91/35/98/531913598.db2.gz GGQNMLBIZNCWOM-BXUZGUMPSA-N 1 0 398.301 1.802 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000419084476 531899931 /nfs/dbraw/zinc/89/99/31/531899931.db2.gz YQSFNQZYTVFLDM-DOMZBBRYSA-N 1 0 394.313 1.841 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000595969165 531901317 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C[C@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000419146294 531904841 /nfs/dbraw/zinc/90/48/41/531904841.db2.gz IHIIGZHWRAGSBW-SJCJKPOMSA-N 1 0 380.286 1.838 20 0 GDADRO Cc1csc([C@@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C2CC2)n1 ZINC000283973835 531917203 /nfs/dbraw/zinc/91/72/03/531917203.db2.gz HECLBFSXMVEEOD-GUYCJALGSA-N 1 0 382.555 1.572 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C[NH2+]1 ZINC000625885908 531917202 /nfs/dbraw/zinc/91/72/02/531917202.db2.gz WKNLWYIAXRASTB-NEPJUHHUSA-N 1 0 398.305 1.943 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000419264291 531919290 /nfs/dbraw/zinc/91/92/90/531919290.db2.gz XJBBEJVPQSESAZ-CHWSQXEVSA-N 1 0 398.301 1.530 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419261108 531919393 /nfs/dbraw/zinc/91/93/93/531919393.db2.gz PPXLAKDVXNJGEN-CHWSQXEVSA-N 1 0 396.285 1.012 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br)C1CC1 ZINC000569086321 531919458 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COc1cc(I)c(Cl)cc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368648597 531926803 /nfs/dbraw/zinc/92/68/03/531926803.db2.gz VXTUBVXOSKRLOI-JDICNCQASA-N 1 0 392.624 1.901 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796298 531916013 /nfs/dbraw/zinc/91/60/13/531916013.db2.gz JFWBBPZELSLXFT-ROUUACIJSA-N 1 0 385.346 1.960 20 0 GDADRO CC[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)Cc1cccc(Br)c1 ZINC000419359937 531929081 /nfs/dbraw/zinc/92/90/81/531929081.db2.gz LBVPTIATYZOZRU-LBPRGKRZSA-N 1 0 382.302 1.470 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NC[C@@H](CC)Cc1cccc(Br)c1 ZINC000419368034 531929626 /nfs/dbraw/zinc/92/96/26/531929626.db2.gz WHLJIUSZFHIJQQ-ZDUSSCGKSA-N 1 0 384.318 1.860 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)Oc1cccc(Br)c1 ZINC000419603309 531939525 /nfs/dbraw/zinc/93/95/25/531939525.db2.gz BDVRIJFRTFJHNT-LBPRGKRZSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000298842889 531929713 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O=S1(=O)CCC[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000570082746 531933593 /nfs/dbraw/zinc/93/35/93/531933593.db2.gz UMSJXNULSYLGQK-STQMWFEESA-N 1 0 396.278 1.495 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C[C@@]1(C)C[NH3+] ZINC000570094101 531934170 /nfs/dbraw/zinc/93/41/70/531934170.db2.gz APEALHSTMNTABQ-MEBBXXQBSA-N 1 0 394.324 1.715 20 0 GDADRO CS(=O)(=O)Nc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000570302561 531936631 /nfs/dbraw/zinc/93/66/31/531936631.db2.gz PQKOAQMDNYJZFQ-UHFFFAOYSA-N 1 0 386.470 1.761 20 0 GDADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000626847018 531936680 /nfs/dbraw/zinc/93/66/80/531936680.db2.gz QHEUZPQWLJUSRN-AWEZNQCLSA-N 1 0 398.276 1.934 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)Nc1cc(Br)ccc1OCCOC ZINC000626853293 531936808 /nfs/dbraw/zinc/93/68/08/531936808.db2.gz UOWDOZWWWFYAFO-UHFFFAOYSA-N 1 0 388.262 1.220 20 0 GDADRO Cc1nc([C@H]2CCCN2C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cs1 ZINC000284165617 531937748 /nfs/dbraw/zinc/93/77/48/531937748.db2.gz SNEUWCRHSIYWJO-PBHICJAKSA-N 1 0 382.555 1.669 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)Oc1ccccc1Br ZINC000419604545 531939766 /nfs/dbraw/zinc/93/97/66/531939766.db2.gz CKMSGNHWEWEIPI-LBPRGKRZSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419584064 531938085 /nfs/dbraw/zinc/93/80/85/531938085.db2.gz IBPRXYPQEIJYKY-VQISRLSMSA-N 1 0 380.286 1.809 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)C1 ZINC000419589619 531938748 /nfs/dbraw/zinc/93/87/48/531938748.db2.gz QMHOOFXGHNBSCU-XHDPSFHLSA-N 1 0 380.286 1.621 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCOCC2)cc(C)c1Br ZINC000626859598 531938847 /nfs/dbraw/zinc/93/88/47/531938847.db2.gz UPAFSDXQTYFCSM-UHFFFAOYSA-N 1 0 384.274 1.629 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1c(C)cc(Br)cc1OC ZINC000626864616 531939128 /nfs/dbraw/zinc/93/91/28/531939128.db2.gz GXQVXFGVTPPUIL-NWDGAFQWSA-N 1 0 384.274 1.961 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c(Cl)cc1Br ZINC000626915013 531941382 /nfs/dbraw/zinc/94/13/82/531941382.db2.gz PKTFELKIUOHGPU-SSDOTTSWSA-N 1 0 376.638 1.528 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419620687 531942831 /nfs/dbraw/zinc/94/28/31/531942831.db2.gz DZXAVBIIEXGGAS-WDMOLILDSA-N 1 0 386.290 1.352 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C[NH2+]1 ZINC000627030215 531943716 /nfs/dbraw/zinc/94/37/16/531943716.db2.gz GRBGWWRJEKVPJX-JQWIXIFHSA-N 1 0 392.884 1.197 20 0 GDADRO CN(Cc1ccc(Cl)c(F)c1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000284268522 531943817 /nfs/dbraw/zinc/94/38/17/531943817.db2.gz VSVHYBSQNOBGIA-QGZVFWFLSA-N 1 0 387.908 1.991 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000419621509 531944187 /nfs/dbraw/zinc/94/41/87/531944187.db2.gz RRRXEKRZWUNRPV-GFCCVEGCSA-N 1 0 384.274 1.155 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419626995 531944815 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KMPSAKOSIAACRK-ZDUSSCGKSA-N 1 0 398.301 1.781 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419762655 531966806 /nfs/dbraw/zinc/96/68/06/531966806.db2.gz SJMQNKWHCBSEFL-NHYWBVRUSA-N 1 0 387.311 1.788 20 0 GDADRO O=C(N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)C(=O)N1CC[NH2+]CC1 ZINC000419776500 531967651 /nfs/dbraw/zinc/96/76/51/531967651.db2.gz KWWVSOPKEDFPKG-HNNXBMFYSA-N 1 0 398.276 1.977 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419775658 531968164 /nfs/dbraw/zinc/96/81/64/531968164.db2.gz JQMNURACAZDCAK-GRYCIOLGSA-N 1 0 398.301 1.831 20 0 GDADRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000655471065 531968415 /nfs/dbraw/zinc/96/84/15/531968415.db2.gz XFMALFLTBFPUFO-DAYGRLMNSA-N 1 0 392.297 1.838 20 0 GDADRO O=S(=O)(CC[NH2+]C1(CO)CCOCC1)c1ccc(Br)cc1 ZINC000598139493 531969141 /nfs/dbraw/zinc/96/91/41/531969141.db2.gz STZSSXFGBBPRGQ-UHFFFAOYSA-N 1 0 378.288 1.354 20 0 GDADRO 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C[C@@H](NC(=O)C(=O)N(C)CCc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419907097 531985463 /nfs/dbraw/zinc/98/54/63/531985463.db2.gz XKQOTEUQSWBVSS-UKRRQHHQSA-N 1 0 396.329 1.954 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419927609 531986968 /nfs/dbraw/zinc/98/69/68/531986968.db2.gz WPFDSSCBAJWNRF-RYUDHWBXSA-N 1 0 380.286 1.448 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000419921764 531987068 /nfs/dbraw/zinc/98/70/68/531987068.db2.gz IPXBOQOALNOUIF-AWEZNQCLSA-N 1 0 384.249 1.587 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1F ZINC000271237001 531987350 /nfs/dbraw/zinc/98/73/50/531987350.db2.gz WXADMADKZXOYPN-LBPRGKRZSA-N 1 0 393.506 1.160 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCSC[C@H]1c1nccs1)c1ccccc1 ZINC000419931897 531987799 /nfs/dbraw/zinc/98/77/99/531987799.db2.gz PNWVFQZAGPNMLU-KBPBESRZSA-N 1 0 376.507 1.576 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CCSC[C@H]1c1nccs1)c1ccccc1 ZINC000419931900 531988441 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O=S(=O)(NCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)c1ccc(F)cc1Cl ZINC000423108185 532072661 /nfs/dbraw/zinc/07/26/61/532072661.db2.gz FOSRKLFQNUXOOO-ZBFHGGJFSA-N 1 0 391.896 1.114 20 0 GDADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580725514 532075182 /nfs/dbraw/zinc/07/51/82/532075182.db2.gz SUKXAXMJIMCBAL-GXTWGEPZSA-N 1 0 396.285 1.620 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000285374693 532075247 /nfs/dbraw/zinc/07/52/47/532075247.db2.gz WCIDYWFGTOQXAT-OCCSQVGLSA-N 1 0 380.539 1.360 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423467280 532075403 /nfs/dbraw/zinc/07/54/03/532075403.db2.gz DLELYYPVRMDTSH-NWDGAFQWSA-N 1 0 380.286 1.845 20 0 GDADRO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423489653 532075464 /nfs/dbraw/zinc/07/54/64/532075464.db2.gz WQVWQWDOPUXNBI-UFBFGSQYSA-N 1 0 398.273 1.744 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000423639915 532078117 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[NH3+][C@@H]1C[C@H]2CN(C(=O)c3oc4ccccc4c3Br)CCN2C1=O ZINC000602528730 532078698 /nfs/dbraw/zinc/07/86/98/532078698.db2.gz UDXNOWDCMKYDLH-GXSJLCMTSA-N 1 0 378.226 1.579 20 0 GDADRO O=C(COc1cccc(I)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000423723468 532079495 /nfs/dbraw/zinc/07/94/95/532079495.db2.gz GMLRHQCZSYOPDD-SMDDNHRTSA-N 1 0 386.233 1.880 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000423713841 532079588 /nfs/dbraw/zinc/07/95/88/532079588.db2.gz FQAMTFOLAPGCFQ-GFCCVEGCSA-N 1 0 382.302 1.961 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)s1 ZINC000285408669 532079629 /nfs/dbraw/zinc/07/96/29/532079629.db2.gz UQIBLVLHACTEHL-VXGBXAGGSA-N 1 0 388.511 1.791 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(Br)c2C)CC1 ZINC000581440078 532080687 /nfs/dbraw/zinc/08/06/87/532080687.db2.gz UFPDKVGWNKOGNM-UHFFFAOYSA-N 1 0 382.302 1.974 20 0 GDADRO COC(=O)[C@]1(NC(=O)C[NH2+]C2CC2)CCc2cc(Br)ccc2C1 ZINC000602543974 532080158 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MDIGNEWEYPYVLA-CYBMUJFWSA-N 1 0 375.288 1.898 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000272334614 532092061 /nfs/dbraw/zinc/09/20/61/532092061.db2.gz WAZQVTWQNAYNDL-QWRGUYRKSA-N 1 0 386.265 1.904 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000272340585 532092267 /nfs/dbraw/zinc/09/22/67/532092267.db2.gz WWYLYILUFVWYRU-YWPYICTPSA-N 1 0 380.286 1.998 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)C1 ZINC000272349430 532092391 /nfs/dbraw/zinc/09/23/91/532092391.db2.gz XZKJSKMSGGRMCK-UONOGXRCSA-N 1 0 385.555 1.978 20 0 GDADRO CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)C1(C(=O)OC)CCC1 ZINC000272346500 532092438 /nfs/dbraw/zinc/09/24/38/532092438.db2.gz CNEIUFPNCYYRKK-CHWSQXEVSA-N 1 0 375.512 1.594 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000272335387 532092648 /nfs/dbraw/zinc/09/26/48/532092648.db2.gz WDUVJSBBRQSZHD-CHWSQXEVSA-N 1 0 385.917 1.934 20 0 GDADRO 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GDADRO O=c1cc(C[NH+]2CCC(OCCO)CC2)nc2ccc(Br)cn12 ZINC000391239825 532298310 /nfs/dbraw/zinc/29/83/10/532298310.db2.gz GVWRDLWVWOHSSE-UHFFFAOYSA-N 1 0 382.258 1.430 20 0 GDADRO CCC[C@@H]([NH3+])c1cn(Cc2cc(=O)n3cc(Br)ccc3n2)nn1 ZINC000391588284 532298436 /nfs/dbraw/zinc/29/84/36/532298436.db2.gz NCEKIGUUNOQRSZ-GFCCVEGCSA-N 1 0 377.246 1.897 20 0 GDADRO Cc1cc(NC(=O)CSCC(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)no1 ZINC000288599145 532298646 /nfs/dbraw/zinc/29/86/46/532298646.db2.gz KKYWVJGGJRTZJM-VIFPVBQESA-N 1 0 381.483 1.566 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC000288645055 532300933 /nfs/dbraw/zinc/30/09/33/532300933.db2.gz AQVYKOAQDSLTOU-LBPRGKRZSA-N 1 0 385.559 1.360 20 0 GDADRO CC[C@](C)([NH3+])c1cn(Cc2cc(=O)n3cc(Br)ccc3n2)nn1 ZINC000395175736 532301172 /nfs/dbraw/zinc/30/11/72/532301172.db2.gz CDHZRTJEGOLSEP-HNNXBMFYSA-N 1 0 377.246 1.681 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cc(Br)sc1Br ZINC000394071166 532301636 /nfs/dbraw/zinc/30/16/36/532301636.db2.gz INTMFXWNCCWXGS-ZETCQYMHSA-N 1 0 397.136 1.907 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000288665684 532302061 /nfs/dbraw/zinc/30/20/61/532302061.db2.gz UKJKCCBNKAKSAF-JSGCOSHPSA-N 1 0 397.317 1.964 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CCC[N@H+](C)CCN(C)C)cs1 ZINC000288689918 532303389 /nfs/dbraw/zinc/30/33/89/532303389.db2.gz VJPYKVPQLMNUBH-UHFFFAOYSA-N 1 0 377.532 1.039 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000275815660 532311048 /nfs/dbraw/zinc/31/10/48/532311048.db2.gz BMZWTSGVDUOUDL-UHFFFAOYSA-N 1 0 394.216 1.408 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000289064273 532314925 /nfs/dbraw/zinc/31/49/25/532314925.db2.gz AYXLXYBHQDNXMC-NXEZZACHSA-N 1 0 378.420 1.940 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000289079934 532314932 /nfs/dbraw/zinc/31/49/32/532314932.db2.gz BXGUCAKPTKYQFB-SNVBAGLBSA-N 1 0 378.420 1.893 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000275944365 532315495 /nfs/dbraw/zinc/31/54/95/532315495.db2.gz XSQHAVANEKARDZ-NSHDSACASA-N 1 0 383.290 1.971 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)CSCc2cc(=O)n3ccsc3n2)CC1 ZINC000289093961 532315566 /nfs/dbraw/zinc/31/55/66/532315566.db2.gz BRIPUSZMXNKQLX-JOCQHMNTSA-N 1 0 380.539 1.871 20 0 GDADRO C[NH+](C)CCc1ccc(CNC(=O)CNS(=O)(=O)c2cccs2)cc1 ZINC000276119058 532320460 /nfs/dbraw/zinc/32/04/60/532320460.db2.gz BADLQDDGCNZKBJ-UHFFFAOYSA-N 1 0 381.523 1.447 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000289435481 532323945 /nfs/dbraw/zinc/32/39/45/532323945.db2.gz JPKXNRKMHNNIIZ-CQSZACIVSA-N 1 0 389.949 1.648 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000276327538 532326996 /nfs/dbraw/zinc/32/69/96/532326996.db2.gz QUHVQJXXJCQUFT-UHFFFAOYSA-N 1 0 376.548 1.318 20 0 GDADRO C[C@@H](O)c1ncc(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)s1 ZINC000289535741 532327034 /nfs/dbraw/zinc/32/70/34/532327034.db2.gz QEMUFIRLQSMICL-GFCCVEGCSA-N 1 0 384.527 1.648 20 0 GDADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000289636993 532330015 /nfs/dbraw/zinc/33/00/15/532330015.db2.gz PSUDNCPFBYYSCZ-JKSUJKDBSA-N 1 0 385.917 1.561 20 0 GDADRO COCCn1cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000290031992 532335769 /nfs/dbraw/zinc/33/57/69/532335769.db2.gz FAAIBAGXRGCUQL-OAHLLOKOSA-N 1 0 384.527 1.534 20 0 GDADRO Cc1oc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000045059379 205092137 /nfs/dbraw/zinc/09/21/37/205092137.db2.gz YGONAEFQWDPDLK-UHFFFAOYSA-N 1 0 381.498 1.729 20 0 GDADRO O=C(C1CCCCC1)N1CCN(CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737782002 598837724 /nfs/dbraw/zinc/83/77/24/598837724.db2.gz DLRSISIYIODOCM-UHFFFAOYSA-N 1 0 397.527 1.681 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCc1nc3c(s1)CCCC3)C2 ZINC000738448707 598837967 /nfs/dbraw/zinc/83/79/67/598837967.db2.gz AQHMFLVSLKZZPD-LLVKDONJSA-N 1 0 385.501 1.273 20 0 GDADRO Fc1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(Cl)c1 ZINC000737647555 598838035 /nfs/dbraw/zinc/83/80/35/598838035.db2.gz GNUPTYKQFHFJQK-JTQLQIEISA-N 1 0 376.827 1.730 20 0 GDADRO C[C@@H](Cn1cccn1)[NH2+]CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736079006 598841088 /nfs/dbraw/zinc/84/10/88/598841088.db2.gz LROSOKKDZQTXGT-NSHDSACASA-N 1 0 386.485 1.620 20 0 GDADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000736186471 598865107 /nfs/dbraw/zinc/86/51/07/598865107.db2.gz CKBIZHTUYDLPEQ-LBPRGKRZSA-N 1 0 376.380 1.853 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000737288155 598908592 /nfs/dbraw/zinc/90/85/92/598908592.db2.gz IMDAXOKAMXUOBF-ZDUSSCGKSA-N 1 0 385.472 1.352 20 0 GDADRO O=C(C[NH2+]C1(CO)Cc2ccccc2C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737892628 598917276 /nfs/dbraw/zinc/91/72/76/598917276.db2.gz XYJYEAQUZBKGEX-UHFFFAOYSA-N 1 0 398.854 1.578 20 0 GDADRO O=C(C[NH2+]C1(c2ccccc2)CCOCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737895242 598917592 /nfs/dbraw/zinc/91/75/92/598917592.db2.gz NTWZASKKXDOQAK-UHFFFAOYSA-N 1 0 392.463 1.778 20 0 GDADRO CCOc1cc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)ccc1OC ZINC000736624596 598920549 /nfs/dbraw/zinc/92/05/49/598920549.db2.gz FIQJPCWJMXNXSX-CYBMUJFWSA-N 1 0 384.444 1.302 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000737297296 598951569 /nfs/dbraw/zinc/95/15/69/598951569.db2.gz HEZWHBCLYAYVLP-KGLIPLIRSA-N 1 0 378.502 1.716 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNc2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000736572217 598960074 /nfs/dbraw/zinc/96/00/74/598960074.db2.gz WDUQHGVIWLJFRU-AWEZNQCLSA-N 1 0 381.488 1.495 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCON=C(N)C[N@@H+]1CCCC[C@H]1C ZINC000737032397 598979174 /nfs/dbraw/zinc/97/91/74/598979174.db2.gz KWNWKOOWMHKYQU-CYBMUJFWSA-N 1 0 389.460 1.627 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(c2nc(C)no2)CC1 ZINC000737030856 598982414 /nfs/dbraw/zinc/98/24/14/598982414.db2.gz AUBHFYQUKJSIHB-UHFFFAOYSA-N 1 0 385.428 1.825 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000737033641 598986815 /nfs/dbraw/zinc/98/68/15/598986815.db2.gz VZGUKKJRCCPAST-AWEZNQCLSA-N 1 0 390.488 1.031 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000737224658 598996826 /nfs/dbraw/zinc/99/68/26/598996826.db2.gz ZEVWXJFDYSTXPM-UHFFFAOYSA-N 1 0 385.453 1.081 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)C[C@@H]1C ZINC000736565896 599008201 /nfs/dbraw/zinc/00/82/01/599008201.db2.gz TYZANIIREBTAEJ-ZFWWWQNUSA-N 1 0 378.502 1.668 20 0 GDADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738067020 599022884 /nfs/dbraw/zinc/02/28/84/599022884.db2.gz YGZRZBWAFSHIJI-UHFFFAOYSA-N 1 0 392.467 1.204 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000736237652 599028980 /nfs/dbraw/zinc/02/89/80/599028980.db2.gz RVZACYAQGBGVTE-ZIAGYGMSSA-N 1 0 387.463 1.527 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736857394 599034245 /nfs/dbraw/zinc/03/42/45/599034245.db2.gz NFGNQNFHIAFUFB-QAPCUYQASA-N 1 0 383.500 1.636 20 0 GDADRO C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736145941 599048014 /nfs/dbraw/zinc/04/80/14/599048014.db2.gz DTMGAHSDFHKCRY-MAUKXSAKSA-N 1 0 383.452 1.489 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000737743028 599068654 /nfs/dbraw/zinc/06/86/54/599068654.db2.gz SJISCWZAKLLMAZ-IBGZPJMESA-N 1 0 397.527 1.981 20 0 GDADRO NC(=O)[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729928 599086138 /nfs/dbraw/zinc/08/61/38/599086138.db2.gz GUDPFUZXXCBSRQ-IBGZPJMESA-N 1 0 391.479 1.647 20 0 GDADRO NC(=O)[C@@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736954 599087526 /nfs/dbraw/zinc/08/75/26/599087526.db2.gz NVIMTQGBPYWUNU-HNNXBMFYSA-N 1 0 388.378 1.827 20 0 GDADRO NC(=O)[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729653 599089628 /nfs/dbraw/zinc/08/96/28/599089628.db2.gz ADQTXJQKGUTHOV-LJQANCHMSA-N 1 0 391.479 1.431 20 0 GDADRO COc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000737090132 599095868 /nfs/dbraw/zinc/09/58/68/599095868.db2.gz ILAMUCIGZYFCSE-QGZVFWFLSA-N 1 0 382.424 1.243 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2=O)cc1-c1nn[nH]n1 ZINC000821805863 599157335 /nfs/dbraw/zinc/15/73/35/599157335.db2.gz WZFRXZMKJSQKCD-OAHLLOKOSA-N 1 0 396.455 1.202 20 0 GDADRO Cn1cc([C@H]2CC[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)cn1 ZINC000737606957 599169969 /nfs/dbraw/zinc/16/99/69/599169969.db2.gz USLYPVZJYDGCPP-INIZCTEOSA-N 1 0 375.440 1.911 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC000736758049 599189977 /nfs/dbraw/zinc/18/99/77/599189977.db2.gz BTMUCEUQNFMKRB-CQSZACIVSA-N 1 0 391.451 1.427 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000820715930 599217614 /nfs/dbraw/zinc/21/76/14/599217614.db2.gz FUMDGRBHJBIXHZ-OAHLLOKOSA-N 1 0 377.452 1.998 20 0 GDADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736291126 599226102 /nfs/dbraw/zinc/22/61/02/599226102.db2.gz DBWDQNOGAMXAMJ-LZQZEXGQSA-N 1 0 395.511 1.921 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000737023873 599226439 /nfs/dbraw/zinc/22/64/39/599226439.db2.gz HTQAIAMRLFLTMD-HIFRSBDPSA-N 1 0 386.456 1.339 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000820908532 599227513 /nfs/dbraw/zinc/22/75/13/599227513.db2.gz NEYUAYYHPXHVPC-GFCCVEGCSA-N 1 0 395.920 1.605 20 0 GDADRO Cc1c(NC(=O)C(=O)NCCCCCCC[NH+](C)C)cccc1-c1nn[nH]n1 ZINC000822054144 607274625 /nfs/dbraw/zinc/27/46/25/607274625.db2.gz VAGAQRFEYGVUQE-UHFFFAOYSA-N 1 0 387.488 1.742 20 0 GDADRO Cc1c(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cccc1-c1nn[nH]n1 ZINC000822091432 607281626 /nfs/dbraw/zinc/28/16/26/607281626.db2.gz RCVGWVASUYKRFM-IRXDYDNUSA-N 1 0 385.472 1.674 20 0 GDADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000823065956 607298551 /nfs/dbraw/zinc/29/85/51/607298551.db2.gz GKLBXGRPRDARAX-HNNXBMFYSA-N 1 0 390.513 1.312 20 0 GDADRO CN(C)c1cccc(C[N@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821614791 607312398 /nfs/dbraw/zinc/31/23/98/607312398.db2.gz VEKFAQXENYDLIZ-GOSISDBHSA-N 1 0 382.468 1.804 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000822865017 607313707 /nfs/dbraw/zinc/31/37/07/607313707.db2.gz SJXFDNYTIPLVLL-GOSISDBHSA-N 1 0 377.452 1.929 20 0 GDADRO COc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@@H](C(=O)[O-])C2)[NH+]2CCCCC2)cc1 ZINC000818583100 597524951 /nfs/dbraw/zinc/52/49/51/597524951.db2.gz ZYTPVVGDUJMRCW-MJGOQNOKSA-N 1 0 389.496 1.745 20 0 GDADRO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000735460906 599290914 /nfs/dbraw/zinc/29/09/14/599290914.db2.gz OPNCCVREOCPFRE-OAHLLOKOSA-N 1 0 382.428 1.181 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(c3ccc(Cl)c(-c4nn[nH]n4)n3)CC2)CC1 ZINC000820128633 607331668 /nfs/dbraw/zinc/33/16/68/607331668.db2.gz RPSMIUNZZYNFDA-UHFFFAOYSA-N 1 0 390.923 1.910 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(c3snc(Cl)c3-c3nn[nH]n3)CC2)CC1 ZINC000820129316 607331775 /nfs/dbraw/zinc/33/17/75/607331775.db2.gz YVTPTYWSJXRBPX-UHFFFAOYSA-N 1 0 396.952 1.971 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@H]1CCOC3(CCSCC3)C1)C2 ZINC000823820678 607335361 /nfs/dbraw/zinc/33/53/61/607335361.db2.gz IYDOEUNVXRAXIU-STQMWFEESA-N 1 0 390.517 1.139 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821180796 607342139 /nfs/dbraw/zinc/34/21/39/607342139.db2.gz HMLLPTIMCYPHSF-GFCCVEGCSA-N 1 0 389.435 1.135 20 0 GDADRO CC(C)[C@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000735748129 598232462 /nfs/dbraw/zinc/23/24/62/598232462.db2.gz IEQYCZJNVWJXBQ-BEFAXECRSA-N 1 0 383.456 1.712 20 0 GDADRO Cc1cc(NC(=O)CC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)no1 ZINC000737269798 598253103 /nfs/dbraw/zinc/25/31/03/598253103.db2.gz BGPNOZWVDNXILR-UHFFFAOYSA-N 1 0 382.428 1.314 20 0 GDADRO C[N@H+](CCNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)C1CCCC1 ZINC000736800262 598257606 /nfs/dbraw/zinc/25/76/06/598257606.db2.gz HQUZNLYYWQMPLQ-UHFFFAOYSA-N 1 0 398.515 1.573 20 0 GDADRO CC(C)[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)[NH+]1CCC(C)CC1 ZINC000736274541 598265050 /nfs/dbraw/zinc/26/50/50/598265050.db2.gz ABYIJINXGWMWBS-INIZCTEOSA-N 1 0 393.517 1.297 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738033492 598294887 /nfs/dbraw/zinc/29/48/87/598294887.db2.gz BPPZPGSWHHDZAZ-AEFFLSMTSA-N 1 0 396.499 1.325 20 0 GDADRO C[C@]1(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)cc2)NC(=O)NC1=O ZINC000736224674 598300430 /nfs/dbraw/zinc/30/04/30/598300430.db2.gz UUFUZCKDENTFGO-LJQANCHMSA-N 1 0 377.408 1.211 20 0 GDADRO CC[C@@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000736402883 598334583 /nfs/dbraw/zinc/33/45/83/598334583.db2.gz PKMPKWMKCSWNNN-CQSZACIVSA-N 1 0 383.456 1.710 20 0 GDADRO C[N@H+](CC1CCCC1)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000736793871 598334928 /nfs/dbraw/zinc/33/49/28/598334928.db2.gz NKUHHBRVQDCDAL-UHFFFAOYSA-N 1 0 383.456 1.710 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000735560733 598351114 /nfs/dbraw/zinc/35/11/14/598351114.db2.gz GRHZXBHLEPOJQQ-KBPBESRZSA-N 1 0 381.444 1.197 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc(C(N)=O)s1 ZINC000736766901 598367669 /nfs/dbraw/zinc/36/76/69/598367669.db2.gz IMQHXTGFRNCBIR-UHFFFAOYSA-N 1 0 399.480 1.231 20 0 GDADRO Cc1nc(C)n([C@H]2CCC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000737473832 598368176 /nfs/dbraw/zinc/36/81/76/598368176.db2.gz LUYQAEOUVPFQTO-KRWDZBQOSA-N 1 0 395.471 1.741 20 0 GDADRO Cc1cnn(CC2CC[NH+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737444567 598368331 /nfs/dbraw/zinc/36/83/31/598368331.db2.gz NIBRTGVVGNWSKF-GOSISDBHSA-N 1 0 397.483 1.524 20 0 GDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000737090214 598383387 /nfs/dbraw/zinc/38/33/87/598383387.db2.gz JVFAYNGMDYFEQX-UHFFFAOYSA-N 1 0 381.440 1.988 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CNc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737342114 598384294 /nfs/dbraw/zinc/38/42/94/598384294.db2.gz OUXFKTBKARUSDF-UHFFFAOYSA-N 1 0 383.456 1.770 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736229724 598402922 /nfs/dbraw/zinc/40/29/22/598402922.db2.gz RPLLTMHZLVGXJX-GASCZTMLSA-N 1 0 399.499 1.081 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735857606 598403860 /nfs/dbraw/zinc/40/38/60/598403860.db2.gz WATHUTCYKRBFPJ-UHFFFAOYSA-N 1 0 399.499 1.175 20 0 GDADRO CC[NH+](CC)CCC[C@H](C)NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736530013 598404692 /nfs/dbraw/zinc/40/46/92/598404692.db2.gz FCUHVRYQNRKSBL-AWEZNQCLSA-N 1 0 387.488 1.223 20 0 GDADRO O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000516706548 598424224 /nfs/dbraw/zinc/42/42/24/598424224.db2.gz XDSOJYLCIUTYSR-LLVKDONJSA-N 1 0 382.877 1.379 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000735875476 598435532 /nfs/dbraw/zinc/43/55/32/598435532.db2.gz MQVGHPRDGQHBBL-CYBMUJFWSA-N 1 0 395.471 1.095 20 0 GDADRO O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738356464 598472291 /nfs/dbraw/zinc/47/22/91/598472291.db2.gz CLYIWWVCDVSDSZ-CQSZACIVSA-N 1 0 376.486 1.506 20 0 GDADRO CC[N@H+](CCNC(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)C1CC1 ZINC000736536520 598480238 /nfs/dbraw/zinc/48/02/38/598480238.db2.gz KGRYVWVQXPUUBC-UHFFFAOYSA-N 1 0 399.503 1.014 20 0 GDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736249847 598484941 /nfs/dbraw/zinc/48/49/41/598484941.db2.gz LHRLUJTWSMGZCE-RYUDHWBXSA-N 1 0 389.435 1.323 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735857010 598507799 /nfs/dbraw/zinc/50/77/99/598507799.db2.gz OQDKNHXLBZRMOG-UHFFFAOYSA-N 1 0 392.529 1.749 20 0 GDADRO c1coc([C@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N2CCCCC2)c1 ZINC000738449081 598518059 /nfs/dbraw/zinc/51/80/59/598518059.db2.gz SDDXXAFQLBPETQ-ZBFHGGJFSA-N 1 0 397.487 1.515 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCc2ccccc21 ZINC000736024555 598519953 /nfs/dbraw/zinc/51/99/53/598519953.db2.gz ALMYBDNVVZZHEJ-UONOGXRCSA-N 1 0 379.472 1.146 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCOc1ccc3ccccc3c1)C2 ZINC000738442464 598520587 /nfs/dbraw/zinc/52/05/87/598520587.db2.gz OLXHJLOTZDRTQO-CQSZACIVSA-N 1 0 390.451 1.927 20 0 GDADRO O=C1CCCN1c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000738304492 598520694 /nfs/dbraw/zinc/52/06/94/598520694.db2.gz MBUDCPZDWMILEV-AWEZNQCLSA-N 1 0 393.455 1.022 20 0 GDADRO CCCCOc1ncccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736464433 598526065 /nfs/dbraw/zinc/52/60/65/598526065.db2.gz ZVWBHYNRIIWNQQ-ZDUSSCGKSA-N 1 0 383.460 1.469 20 0 GDADRO Fc1ccc2c(CC[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c[nH]c2c1 ZINC000737656588 598528495 /nfs/dbraw/zinc/52/84/95/598528495.db2.gz OWNUXXZMWRLPCR-NSHDSACASA-N 1 0 381.419 1.558 20 0 GDADRO CC(C)[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nnc2ccccn21 ZINC000735733259 598528658 /nfs/dbraw/zinc/52/86/58/598528658.db2.gz GKABJRFKFHDRQO-IUODEOHRSA-N 1 0 393.459 1.135 20 0 GDADRO O[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2ccccc2c1 ZINC000738381971 598569114 /nfs/dbraw/zinc/56/91/14/598569114.db2.gz OGOUDMBKHFEHMA-SCLBCKFNSA-N 1 0 390.451 1.581 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC1 ZINC000736859720 598580435 /nfs/dbraw/zinc/58/04/35/598580435.db2.gz IACWRNGAXWHYCY-ZDUSSCGKSA-N 1 0 376.896 1.521 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738034061 598595479 /nfs/dbraw/zinc/59/54/79/598595479.db2.gz FJMDJWRNFDALLG-FGTMMUONSA-N 1 0 381.484 1.579 20 0 GDADRO O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000737788936 598596724 /nfs/dbraw/zinc/59/67/24/598596724.db2.gz ABONRKSONBUEBQ-QZTJIDSGSA-N 1 0 381.484 1.532 20 0 GDADRO C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@@H+]2CCC[C@@H]2C2CCC2)C1=O ZINC000736225138 598600112 /nfs/dbraw/zinc/60/01/12/598600112.db2.gz WESRPDDHLWDEMF-UZLBHIALSA-N 1 0 395.467 1.856 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736859398 598618724 /nfs/dbraw/zinc/61/87/24/598618724.db2.gz GXRNBWYVKOENHJ-SFHVURJKSA-N 1 0 385.516 1.347 20 0 GDADRO Cc1n[nH]c(C)c1CC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737451780 598618760 /nfs/dbraw/zinc/61/87/60/598618760.db2.gz BWJKKLTWEZRMLX-UHFFFAOYSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000736150259 598672190 /nfs/dbraw/zinc/67/21/90/598672190.db2.gz ZECNVRNIYZSWOH-JTQLQIEISA-N 1 0 391.838 1.710 20 0 GDADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736202030 598677822 /nfs/dbraw/zinc/67/78/22/598677822.db2.gz ZAFIZLJPOUGFKP-NSHDSACASA-N 1 0 390.444 1.846 20 0 GDADRO Cc1nc(C[C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737471895 598686037 /nfs/dbraw/zinc/68/60/37/598686037.db2.gz OYKSKRNVXRGXJF-GOEBONIOSA-N 1 0 399.455 1.253 20 0 GDADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736235990 598701597 /nfs/dbraw/zinc/70/15/97/598701597.db2.gz FHWNTQJUSDVXCW-NXEZZACHSA-N 1 0 377.836 1.044 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccnc(C2CC2)n1 ZINC000736767384 598753314 /nfs/dbraw/zinc/75/33/14/598753314.db2.gz PGHQKRGVYOIWSH-UHFFFAOYSA-N 1 0 392.467 1.738 20 0 GDADRO Cc1noc(C2CC[NH+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000737533818 598760919 /nfs/dbraw/zinc/76/09/19/598760919.db2.gz FFFDJWLCUSMMPM-UHFFFAOYSA-N 1 0 382.428 1.766 20 0 GDADRO O[C@H](COCc1ccco1)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738384897 598781178 /nfs/dbraw/zinc/78/11/78/598781178.db2.gz FYZBRCNKQMSPNM-INIZCTEOSA-N 1 0 399.451 1.881 20 0 GDADRO C[N@H+](CCNC(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000736799606 598784021 /nfs/dbraw/zinc/78/40/21/598784021.db2.gz BKVPYSAVYIDOFM-UHFFFAOYSA-N 1 0 385.472 1.514 20 0 GDADRO CCc1nnsc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736710015 598805562 /nfs/dbraw/zinc/80/55/62/598805562.db2.gz DUVDVZWWFOLOFM-UHFFFAOYSA-N 1 0 386.485 1.485 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1COc2ccccc21 ZINC000736766567 598822679 /nfs/dbraw/zinc/82/26/79/598822679.db2.gz BYRRZBJNVWLDLR-SFHVURJKSA-N 1 0 392.463 1.933 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736406835 599293373 /nfs/dbraw/zinc/29/33/73/599293373.db2.gz LQYSKHMQGYTYQT-NWDGAFQWSA-N 1 0 380.449 1.253 20 0 GDADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736412128 599300988 /nfs/dbraw/zinc/30/09/88/599300988.db2.gz SXCDKJYBWOEIFH-JLZZUVOBSA-N 1 0 397.483 1.020 20 0 GDADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000738391094 599321627 /nfs/dbraw/zinc/32/16/27/599321627.db2.gz WHNCNBGKWXEZQI-HUUCEWRRSA-N 1 0 382.390 1.921 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000821252665 599347256 /nfs/dbraw/zinc/34/72/56/599347256.db2.gz AQOMOIVOUOFLAB-BXUZGUMPSA-N 1 0 382.465 1.357 20 0 GDADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC000735881258 599363015 /nfs/dbraw/zinc/36/30/15/599363015.db2.gz IGAYXXAMKYBDQH-INIZCTEOSA-N 1 0 389.479 1.237 20 0 GDADRO S=C(Nc1ccccc1-c1nn[nH]n1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000738408516 599370911 /nfs/dbraw/zinc/37/09/11/599370911.db2.gz MLXLCNMIZLWLEO-ZDUSSCGKSA-N 1 0 387.513 1.654 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820753484 599371477 /nfs/dbraw/zinc/37/14/77/599371477.db2.gz YSKYHKRORQSPOZ-YGRLFVJLSA-N 1 0 384.893 1.527 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CC(=O)Nc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000820410381 599388271 /nfs/dbraw/zinc/38/82/71/599388271.db2.gz DYVMPECQKYHDSP-OLZOCXBDSA-N 1 0 391.435 1.891 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000736746677 599433594 /nfs/dbraw/zinc/43/35/94/599433594.db2.gz NHUSCPIYFQBHMB-UHFFFAOYSA-N 1 0 394.483 1.770 20 0 GDADRO C[C@@H](CNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000820710342 599439225 /nfs/dbraw/zinc/43/92/25/599439225.db2.gz PPGRVAFBYWLKEN-GJZGRUSLSA-N 1 0 387.488 1.665 20 0 GDADRO COc1cccc(O[C@H](C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000821871596 599454391 /nfs/dbraw/zinc/45/43/91/599454391.db2.gz BEOXUJRDFSZWKE-OLZOCXBDSA-N 1 0 384.444 1.171 20 0 GDADRO CN(C)C(=O)c1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736753417 599485295 /nfs/dbraw/zinc/48/52/95/599485295.db2.gz JYYAFYLSJZHNJP-UHFFFAOYSA-N 1 0 376.424 1.506 20 0 GDADRO O[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)COc1cccc(F)c1 ZINC000738385132 599487803 /nfs/dbraw/zinc/48/78/03/599487803.db2.gz VVUHCUQFLIXUAO-OAHLLOKOSA-N 1 0 383.387 1.183 20 0 GDADRO C[C@@H](CC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)NC(=O)OC(C)(C)C ZINC000735985909 599488249 /nfs/dbraw/zinc/48/82/49/599488249.db2.gz JHMJENYMGFWPDT-LBPRGKRZSA-N 1 0 386.460 1.907 20 0 GDADRO C[NH+](C)Cc1ccc(N2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)nc1 ZINC000821588567 599537082 /nfs/dbraw/zinc/53/70/82/599537082.db2.gz YSDYUTPKCDQDEJ-UHFFFAOYSA-N 1 0 382.447 1.789 20 0 GDADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000736195412 599583835 /nfs/dbraw/zinc/58/38/35/599583835.db2.gz HFQNCHDXWOZAFJ-CQSZACIVSA-N 1 0 394.483 1.803 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1-c1nn[nH]n1 ZINC000822313400 599602916 /nfs/dbraw/zinc/60/29/16/599602916.db2.gz MTPQCVYJSSNCTO-ZDUSSCGKSA-N 1 0 399.499 1.740 20 0 GDADRO Cc1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]n1 ZINC000737263125 599602953 /nfs/dbraw/zinc/60/29/53/599602953.db2.gz CKAZMYQIGASSBU-UHFFFAOYSA-N 1 0 395.471 1.316 20 0 GDADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C)c1-c1nn[nH]n1)[NH+](C)C ZINC000820893868 599606619 /nfs/dbraw/zinc/60/66/19/599606619.db2.gz XSJGYRVRMBHRLP-OAHLLOKOSA-N 1 0 387.488 1.596 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000736633439 599614640 /nfs/dbraw/zinc/61/46/40/599614640.db2.gz AXMGBXVAUTVIER-CYBMUJFWSA-N 1 0 375.433 1.108 20 0 GDADRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)C(C)(C)CO)c1-c1nn[nH]n1 ZINC000822015126 599690593 /nfs/dbraw/zinc/69/05/93/599690593.db2.gz DGYNCPLPLTZDHC-UHFFFAOYSA-N 1 0 397.483 1.915 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000736676423 599962573 /nfs/dbraw/zinc/96/25/73/599962573.db2.gz HRKPQWNEJTXDQQ-HZPDHXFCSA-N 1 0 391.512 1.414 20 0 GDADRO CC[NH+](CC)CCNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000737087651 600021973 /nfs/dbraw/zinc/02/19/73/600021973.db2.gz ZBSHQGMZJZKRBB-UHFFFAOYSA-N 1 0 377.489 1.357 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@H](N(C)Cc3ncc(C)o3)C2)cc1-c1nn[nH]n1 ZINC000821794392 607445083 /nfs/dbraw/zinc/44/50/83/607445083.db2.gz FUZZHXFPHJDMSS-HNNXBMFYSA-N 1 0 383.456 1.878 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000823359908 607447130 /nfs/dbraw/zinc/44/71/30/607447130.db2.gz UOGWCSJCQLJDHA-QGZVFWFLSA-N 1 0 385.472 1.975 20 0 GDADRO O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823607727 607497331 /nfs/dbraw/zinc/49/73/31/607497331.db2.gz WRMOQWZAACCXSB-CJNGLKHVSA-N 1 0 388.497 1.504 20 0 GDADRO O=C(COc1ccccc1-c1nn[nH]n1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823050091 607503299 /nfs/dbraw/zinc/50/32/99/607503299.db2.gz PYNNVUKZWJIAPC-RHSMWYFYSA-N 1 0 382.468 1.721 20 0 GDADRO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)s1 ZINC000826432675 607510001 /nfs/dbraw/zinc/51/00/01/607510001.db2.gz HUKKCHNMVDXNSI-AWEZNQCLSA-N 1 0 384.465 1.077 20 0 GDADRO CC[C@H]1C[N@H+](CCn2cccn2)CCN1Cc1cc(-c2nn[nH]n2)ccc1OC 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GDADRO C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000824565101 608494639 /nfs/dbraw/zinc/49/46/39/608494639.db2.gz ZCPDOZLOPOLIDE-LBPRGKRZSA-N 1 0 391.435 1.675 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000530438871 649975845 /nfs/dbraw/zinc/97/58/45/649975845.db2.gz AVIGLBUEFUXVQQ-ARFHVFGLSA-N 1 0 375.535 1.216 20 0 GDADRO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)cn1 ZINC000826362304 608515164 /nfs/dbraw/zinc/51/51/64/608515164.db2.gz MLEMMQBKDUPCFV-QZTJIDSGSA-N 1 0 392.467 1.763 20 0 GDADRO c1[nH]nc(-c2cccnc2)c1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826525340 608516309 /nfs/dbraw/zinc/51/63/09/608516309.db2.gz GAVLIQKFMKVAIM-UHFFFAOYSA-N 1 0 387.451 1.974 20 0 GDADRO O=C(C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826412677 608526636 /nfs/dbraw/zinc/52/66/36/608526636.db2.gz YHNMIRYGRJYJGE-UYAOXDASSA-N 1 0 392.463 1.850 20 0 GDADRO 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ZINC000825938702 608583316 /nfs/dbraw/zinc/58/33/16/608583316.db2.gz WRUZRQNKHUBSHZ-HNNXBMFYSA-N 1 0 376.461 1.699 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000825326359 608638488 /nfs/dbraw/zinc/63/84/88/608638488.db2.gz BULBOGJMGFEKGH-OFLPRAFFSA-N 1 0 399.499 1.942 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000826519091 608685387 /nfs/dbraw/zinc/68/53/87/608685387.db2.gz JRPCQOFAQQPSDJ-CQSZACIVSA-N 1 0 390.455 1.432 20 0 GDADRO CC(=O)Nc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000823999952 608832754 /nfs/dbraw/zinc/83/27/54/608832754.db2.gz OKARYHCPHXUJKZ-ZDUSSCGKSA-N 1 0 393.455 1.326 20 0 GDADRO CC[NH+]1CCC(NC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)CC1 ZINC000825451159 609140560 /nfs/dbraw/zinc/14/05/60/609140560.db2.gz GOQDKAFOIXCWGD-UHFFFAOYSA-N 1 0 380.456 1.575 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547126 609143904 /nfs/dbraw/zinc/14/39/04/609143904.db2.gz MSLMHJFUFJAVGY-GOEBONIOSA-N 1 0 389.479 1.063 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258929 609152056 /nfs/dbraw/zinc/15/20/56/609152056.db2.gz BLERAMIMAWVDKJ-HNNXBMFYSA-N 1 0 394.483 1.821 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257700 609153170 /nfs/dbraw/zinc/15/31/70/609153170.db2.gz MERVDODGTWBFGK-INIZCTEOSA-N 1 0 380.456 1.527 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257970 609155209 /nfs/dbraw/zinc/15/52/09/609155209.db2.gz VMMTXLGKCMPSTQ-PBHICJAKSA-N 1 0 392.467 1.670 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258954 609158614 /nfs/dbraw/zinc/15/86/14/609158614.db2.gz BZUOOIGZLXOCSH-IUODEOHRSA-N 1 0 380.456 1.573 20 0 GDADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824976062 609168904 /nfs/dbraw/zinc/16/89/04/609168904.db2.gz MMHSMXIVTXCTQS-BVGQSLNGSA-N 1 0 381.484 1.434 20 0 GDADRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826334062 609169725 /nfs/dbraw/zinc/16/97/25/609169725.db2.gz GILRMFOMPOBGKO-SJKOYZFVSA-N 1 0 380.456 1.755 20 0 GDADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826421334 609170982 /nfs/dbraw/zinc/17/09/82/609170982.db2.gz CWDLBZKNOZJRSO-UHFFFAOYSA-N 1 0 398.511 1.760 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826431543 609183603 /nfs/dbraw/zinc/18/36/03/609183603.db2.gz FEIFYTGIRFDFHP-LJQANCHMSA-N 1 0 392.463 1.681 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc2nccn21 ZINC000825866103 609186312 /nfs/dbraw/zinc/18/63/12/609186312.db2.gz REOLVNUZKUIBKZ-UHFFFAOYSA-N 1 0 390.451 1.718 20 0 GDADRO C[N@H+](CCCNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000825919109 609187690 /nfs/dbraw/zinc/18/76/90/609187690.db2.gz UBLRNCUFSJIUAZ-SFHVURJKSA-N 1 0 380.452 1.538 20 0 GDADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826433891 609188546 /nfs/dbraw/zinc/18/85/46/609188546.db2.gz UZEXLKLNYMTARR-RDJZCZTQSA-N 1 0 398.492 1.915 20 0 GDADRO COc1cccc([C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[NH+]2CCCC2)c1 ZINC000826214707 609191022 /nfs/dbraw/zinc/19/10/22/609191022.db2.gz UUUHBWCXWVOCDE-QGZVFWFLSA-N 1 0 381.440 1.770 20 0 GDADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)C[C@H](C)O1 ZINC000824984809 609194439 /nfs/dbraw/zinc/19/44/39/609194439.db2.gz NYEZPTFCEQOZHJ-KBPBESRZSA-N 1 0 395.467 1.734 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825870648 609204798 /nfs/dbraw/zinc/20/47/98/609204798.db2.gz WYEVARAAXYOPCJ-KRWDZBQOSA-N 1 0 382.424 1.479 20 0 GDADRO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826435550 609211844 /nfs/dbraw/zinc/21/18/44/609211844.db2.gz QUOCEEKYWGEAKO-SFHVURJKSA-N 1 0 395.467 1.370 20 0 GDADRO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824536919 609239809 /nfs/dbraw/zinc/23/98/09/609239809.db2.gz AFEDHDUPJZQWJK-MMPTUQATSA-N 1 0 384.419 1.584 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1=O ZINC000826018299 609242191 /nfs/dbraw/zinc/24/21/91/609242191.db2.gz VBRYWYSUQYWVIL-UVFQYZLESA-N 1 0 395.467 1.554 20 0 GDADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000825859556 609294917 /nfs/dbraw/zinc/29/49/17/609294917.db2.gz GSIOITMOQTZPCM-UHFFFAOYSA-N 1 0 382.465 1.358 20 0 GDADRO O=C(C=Cc1ccncn1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826402950 609297128 /nfs/dbraw/zinc/29/71/28/609297128.db2.gz GPBHBUCUJWOEBS-VOTSOKGWSA-N 1 0 390.451 1.404 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545861 609335487 /nfs/dbraw/zinc/33/54/87/609335487.db2.gz DYQSDKRMGSNPCP-GOEBONIOSA-N 1 0 389.479 1.063 20 0 GDADRO Cn1cc(C[NH2+]CCCN2CCOCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361543 609335727 /nfs/dbraw/zinc/33/57/27/609335727.db2.gz BPBGLDCUMNFGKL-UHFFFAOYSA-N 1 0 382.472 1.079 20 0 GDADRO Cn1cc(C[NH2+]CCOc2cccnc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361853 609340884 /nfs/dbraw/zinc/34/08/84/609340884.db2.gz RXDHLAQMOCMHKH-UHFFFAOYSA-N 1 0 376.424 1.831 20 0 GDADRO NC(=O)CC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826390674 609360114 /nfs/dbraw/zinc/36/01/14/609360114.db2.gz IJHOJHHCZOXNFC-UHFFFAOYSA-N 1 0 379.262 1.717 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826443460 609376886 /nfs/dbraw/zinc/37/68/86/609376886.db2.gz PXCBVAZYYUYRFI-MRXNPFEDSA-N 1 0 381.440 1.082 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@H]1CCc2ccccc2C1 ZINC000825000173 609421034 /nfs/dbraw/zinc/42/10/34/609421034.db2.gz NQFLXPCNTGDDFW-HOTGVXAUSA-N 1 0 390.495 1.972 20 0 GDADRO CC(C)(C)OC(=O)CCCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000824099864 609513941 /nfs/dbraw/zinc/51/39/41/609513941.db2.gz KLUPYULRGMPBJN-UHFFFAOYSA-N 1 0 387.488 1.896 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000825000530 609547596 /nfs/dbraw/zinc/54/75/96/609547596.db2.gz RSJLSPXYQQXVAV-JQWIXIFHSA-N 1 0 382.877 1.377 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000826028852 609560011 /nfs/dbraw/zinc/56/00/11/609560011.db2.gz JNGFTOFFGGEYDK-JSGCOSHPSA-N 1 0 396.904 1.625 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259534 609575059 /nfs/dbraw/zinc/57/50/59/609575059.db2.gz VOSLWOGHNAIZNX-ACJLOTCBSA-N 1 0 394.483 1.819 20 0 GDADRO CN(C)c1ncc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000825883374 609600371 /nfs/dbraw/zinc/60/03/71/609600371.db2.gz GFQHPQXMJICBEL-OAHLLOKOSA-N 1 0 398.496 1.674 20 0 GDADRO O=C(CC[N@H+]1CCSC[C@@H]1CO)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407370 609603852 /nfs/dbraw/zinc/60/38/52/609603852.db2.gz KSINIJMEJYNRNU-NSHDSACASA-N 1 0 382.877 1.258 20 0 GDADRO CCS(=O)(=O)NCCCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531005053 649985123 /nfs/dbraw/zinc/98/51/23/649985123.db2.gz HLBXYAQHMVIXPQ-OAHLLOKOSA-N 1 0 390.937 1.571 20 0 GDADRO O=C(NCC[NH+]1CCC1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000532791518 650034024 /nfs/dbraw/zinc/03/40/24/650034024.db2.gz XBCHJFLAJAWAIS-UHFFFAOYSA-N 1 0 376.770 1.906 20 0 GDADRO C[C@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC000532791523 650034058 /nfs/dbraw/zinc/03/40/58/650034058.db2.gz YSFUNJJYWWKINB-WDEREUQCSA-N 1 0 394.950 1.462 20 0 GDADRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533248026 650047466 /nfs/dbraw/zinc/04/74/66/650047466.db2.gz NGFPLNJXAOKLBD-ZDUSSCGKSA-N 1 0 393.285 1.805 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1-n1cncn1 ZINC000534643159 650227552 /nfs/dbraw/zinc/22/75/52/650227552.db2.gz JCSNPDNWGDAKTL-GFCCVEGCSA-N 1 0 376.258 1.996 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535141106 650242855 /nfs/dbraw/zinc/24/28/55/650242855.db2.gz DYYFNEAFTGOSPE-HZPDHXFCSA-N 1 0 391.603 1.238 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000535256477 650245006 /nfs/dbraw/zinc/24/50/06/650245006.db2.gz BCWSQODZLNYXNH-UHFFFAOYSA-N 1 0 380.495 1.191 20 0 GDADRO NS(=O)(=O)c1ccc(OCC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000535546836 650249531 /nfs/dbraw/zinc/24/95/31/650249531.db2.gz BVIDLIXRXWUZOG-ZBFHGGJFSA-N 1 0 386.539 1.699 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H](C)S(C)(=O)=O)CC1 ZINC000536577057 650272876 /nfs/dbraw/zinc/27/28/76/650272876.db2.gz YWMILXSULZGWLR-HNNXBMFYSA-N 1 0 377.551 1.200 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000536854365 650281954 /nfs/dbraw/zinc/28/19/54/650281954.db2.gz VEICTKDTWFGMLP-CJNGLKHVSA-N 1 0 388.917 1.480 20 0 GDADRO CSc1ccccc1CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000537471463 650293212 /nfs/dbraw/zinc/29/32/12/650293212.db2.gz VYVVMCUHZNXJSF-MRXNPFEDSA-N 1 0 384.567 1.918 20 0 GDADRO C[NH+](C)CCOCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000537547372 650294441 /nfs/dbraw/zinc/29/44/41/650294441.db2.gz NIIXFCLMENCSNA-CYBMUJFWSA-N 1 0 398.301 1.496 20 0 GDADRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)ccc1S(C)(=O)=O ZINC000537970063 650302883 /nfs/dbraw/zinc/30/28/83/650302883.db2.gz FCPDGUWMVNGIMG-JSGCOSHPSA-N 1 0 390.527 1.173 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000539279533 650332240 /nfs/dbraw/zinc/33/22/40/650332240.db2.gz FCZQWQQFKMTFGY-JTQLQIEISA-N 1 0 393.303 1.810 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000539502098 650335940 /nfs/dbraw/zinc/33/59/40/650335940.db2.gz NGNWMNDITHVUCT-SNVBAGLBSA-N 1 0 390.303 1.168 20 0 GDADRO CC[N@H+](CCC1CCN(S(=O)(=O)CCCS(C)(=O)=O)CC1)CC1CC1 ZINC000539950920 650344469 /nfs/dbraw/zinc/34/44/69/650344469.db2.gz NVMAVLSTDHHLLN-UHFFFAOYSA-N 1 0 394.603 1.585 20 0 GDADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O ZINC000540139279 650350263 /nfs/dbraw/zinc/35/02/63/650350263.db2.gz MZFNVTHEBWTSGJ-GJZGRUSLSA-N 1 0 388.555 1.945 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000541770353 650390436 /nfs/dbraw/zinc/39/04/36/650390436.db2.gz WESRYLHONPZJCN-OAHLLOKOSA-N 1 0 388.555 1.500 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000542463808 650405602 /nfs/dbraw/zinc/40/56/02/650405602.db2.gz QTALDZFPKXQILS-LBPRGKRZSA-N 1 0 383.695 1.447 20 0 GDADRO C[C@H]1CN(C(=O)Nc2ccncc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000542812539 650413475 /nfs/dbraw/zinc/41/34/75/650413475.db2.gz VKLCMXWZBVMIID-BBRMVZONSA-N 1 0 396.333 1.756 20 0 GDADRO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1ccc(I)cc1 ZINC000544106985 650435301 /nfs/dbraw/zinc/43/53/01/650435301.db2.gz MDPFTMLOJYWRBL-LEWSCRJBSA-N 1 0 386.233 1.932 20 0 GDADRO Cc1c(C(=O)NCCOCC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000544340521 650437937 /nfs/dbraw/zinc/43/79/37/650437937.db2.gz FLERLJYXYRGPNK-UHFFFAOYSA-N 1 0 396.289 1.646 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000545161520 650449771 /nfs/dbraw/zinc/44/97/71/650449771.db2.gz UHNNTNOPYSVAMF-AWEZNQCLSA-N 1 0 385.917 1.775 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000545204650 650451544 /nfs/dbraw/zinc/45/15/44/650451544.db2.gz MHSGMFZFAPKIOA-MRXNPFEDSA-N 1 0 384.274 1.250 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(c3ncc(I)cn3)C2)CC1 ZINC000545208537 650452217 /nfs/dbraw/zinc/45/22/17/650452217.db2.gz BSXXFFRTKIBSAE-ZDUSSCGKSA-N 1 0 387.269 1.297 20 0 GDADRO Cn1ccnc1Sc1ncc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1Cl ZINC000545863920 650462841 /nfs/dbraw/zinc/46/28/41/650462841.db2.gz QUEMCKILEDEPJQ-MRXNPFEDSA-N 1 0 381.889 1.416 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000545864082 650463246 /nfs/dbraw/zinc/46/32/46/650463246.db2.gz PLZQCMCRVNDPEJ-MRXNPFEDSA-N 1 0 379.258 1.431 20 0 GDADRO C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000546104570 650470837 /nfs/dbraw/zinc/47/08/37/650470837.db2.gz LSQHQNZVDCMEJP-KRWDZBQOSA-N 1 0 387.311 1.884 20 0 GDADRO COc1ccc(Br)c2[nH]c(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc21 ZINC000546571389 650479155 /nfs/dbraw/zinc/47/91/55/650479155.db2.gz KBPURWKYWWHONP-INIZCTEOSA-N 1 0 382.258 1.735 20 0 GDADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000552082150 650619056 /nfs/dbraw/zinc/61/90/56/650619056.db2.gz IIDNPEUQHXGLIN-WDEREUQCSA-N 1 0 376.284 1.943 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000552097062 650619427 /nfs/dbraw/zinc/61/94/27/650619427.db2.gz RSNIDSQIKRCZRV-UKRRQHHQSA-N 1 0 389.543 1.059 20 0 GDADRO O=C(C[NH2+]C1CC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000552097361 650619458 /nfs/dbraw/zinc/61/94/58/650619458.db2.gz KHINHKPEWNDOQA-UHFFFAOYSA-N 1 0 392.308 1.578 20 0 GDADRO C[C@@H](NC(=O)COc1ccc(F)cc1Br)C(=O)NCC[NH+](C)C ZINC000552309512 650623306 /nfs/dbraw/zinc/62/33/06/650623306.db2.gz MDJNSLCLTURLSN-SNVBAGLBSA-N 1 0 390.253 1.150 20 0 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[NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000565706703 650809084 /nfs/dbraw/zinc/80/90/84/650809084.db2.gz XLBYLADCYOUWRY-NSHDSACASA-N 1 0 386.265 1.444 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000565713471 650809555 /nfs/dbraw/zinc/80/95/55/650809555.db2.gz FRWOGBFKXPCBLU-CYBMUJFWSA-N 1 0 394.273 1.731 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000565887114 650819183 /nfs/dbraw/zinc/81/91/83/650819183.db2.gz GDEHMMUVWIATMA-UHFFFAOYSA-N 1 0 387.929 1.918 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000565952159 650822832 /nfs/dbraw/zinc/82/28/32/650822832.db2.gz NHHGHDCFWHSWNV-OAHLLOKOSA-N 1 0 379.507 1.590 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000566203785 650834518 /nfs/dbraw/zinc/83/45/18/650834518.db2.gz YPMPPVWCYPSNBF-NSHDSACASA-N 1 0 377.304 1.857 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000566270355 650838437 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GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)C2)s1 ZINC000566560796 650855836 /nfs/dbraw/zinc/85/58/36/650855836.db2.gz JVXDAMNAEOQLRV-NWDGAFQWSA-N 1 0 395.497 1.556 20 0 GDADRO Cc1oc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1S(=O)(=O)N1CCCC1 ZINC000566619854 650859645 /nfs/dbraw/zinc/85/96/45/650859645.db2.gz UANHINQNBWGYRZ-ZDUSSCGKSA-N 1 0 377.413 1.100 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566676767 650863136 /nfs/dbraw/zinc/86/31/36/650863136.db2.gz DSGQBUCCRNEDDJ-IINYFYTJSA-N 1 0 386.265 1.504 20 0 GDADRO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000566743456 650864463 /nfs/dbraw/zinc/86/44/63/650864463.db2.gz NQTOOWGLVPKSNA-UHFFFAOYSA-N 1 0 376.567 1.084 20 0 GDADRO CN(CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)S(=O)(=O)c1ccc(Cl)s1 ZINC000566791489 650866449 /nfs/dbraw/zinc/86/64/49/650866449.db2.gz FAOHTDJIWPECPP-HNNXBMFYSA-N 1 0 391.946 1.624 20 0 GDADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(I)c1 ZINC000566793437 650866952 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ZINC000262059253 645121954 /nfs/dbraw/zinc/12/19/54/645121954.db2.gz QZVRZHLBIQJYGH-GXFFZTMASA-N 1 0 389.905 1.456 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)NC)cc1 ZINC000569016237 650980976 /nfs/dbraw/zinc/98/09/76/650980976.db2.gz UQFZVDIXBMENDF-CQSZACIVSA-N 1 0 391.559 1.307 20 0 GDADRO CCOC(=O)C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000262551153 645134347 /nfs/dbraw/zinc/13/43/47/645134347.db2.gz OSERZLAGTJCISZ-CABCVRRESA-N 1 0 399.285 1.938 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000262747267 645137039 /nfs/dbraw/zinc/13/70/39/645137039.db2.gz MHNUUTKGRLJDCF-AWEZNQCLSA-N 1 0 375.516 1.340 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000262766660 645137734 /nfs/dbraw/zinc/13/77/34/645137734.db2.gz KXAHTLVQHIULGR-GXSJLCMTSA-N 1 0 391.287 1.497 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000262766664 645137768 /nfs/dbraw/zinc/13/77/68/645137768.db2.gz KXAHTLVQHIULGR-MWLCHTKSSA-N 1 0 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C[C@@H](C[NH3+])CNC(=O)C(=O)NCCc1cc(Cl)ccc1Br ZINC000419506236 645921511 /nfs/dbraw/zinc/92/15/11/645921511.db2.gz WTVJUWCZJKREHQ-VIFPVBQESA-N 1 0 376.682 1.472 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419513525 645921769 /nfs/dbraw/zinc/92/17/69/645921769.db2.gz GCGYNYPTMZFHMM-NWDGAFQWSA-N 1 0 388.295 1.789 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000419745720 645930175 /nfs/dbraw/zinc/93/01/75/645930175.db2.gz KOWAQRKPQZCDHS-SECBINFHSA-N 1 0 390.253 1.849 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1cc(F)cc(Br)c1 ZINC000419771117 645931281 /nfs/dbraw/zinc/93/12/81/645931281.db2.gz FCWQAWJQYBXHBN-QMTHXVAHSA-N 1 0 386.265 1.976 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419774400 645932271 /nfs/dbraw/zinc/93/22/71/645932271.db2.gz IJNNBUKGLVBQCN-SNVBAGLBSA-N 1 0 384.274 1.585 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420055910 645933757 /nfs/dbraw/zinc/93/37/57/645933757.db2.gz HAKVHZQEMPGDHL-ZDUSSCGKSA-N 1 0 384.274 1.270 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420189027 645938007 /nfs/dbraw/zinc/93/80/07/645938007.db2.gz FSGIUFVHAHAQLX-ZWNOBZJWSA-N 1 0 386.265 1.790 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000420190073 645938651 /nfs/dbraw/zinc/93/86/51/645938651.db2.gz FROJAMWAPAFMHP-GJZGRUSLSA-N 1 0 383.901 1.061 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000420192800 645938664 /nfs/dbraw/zinc/93/86/64/645938664.db2.gz IDZNHHRDHICZEE-ZDUSSCGKSA-N 1 0 379.507 1.443 20 0 GDADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349970 645940801 /nfs/dbraw/zinc/94/08/01/645940801.db2.gz RARVKCQZQXHPAJ-WFASDCNBSA-N 1 0 385.281 1.094 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCCO[C@H](C[NH3+])C1 ZINC000420379060 645942137 /nfs/dbraw/zinc/94/21/37/645942137.db2.gz AKZJRWOPQXOUTB-XJKSGUPXSA-N 1 0 384.318 1.846 20 0 GDADRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000420719976 645954313 /nfs/dbraw/zinc/95/43/13/645954313.db2.gz BFHJOZXFWVWBPY-UHFFFAOYSA-N 1 0 393.506 1.348 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1OC ZINC000420732781 645957789 /nfs/dbraw/zinc/95/77/89/645957789.db2.gz HHYOHNDMAWUOKV-LBPRGKRZSA-N 1 0 389.905 1.423 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(S(C)(=O)=O)s2)CC1 ZINC000421767598 646021557 /nfs/dbraw/zinc/02/15/57/646021557.db2.gz LHPZRJLNLUAGAG-AWEZNQCLSA-N 1 0 385.555 1.394 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000422382894 646062449 /nfs/dbraw/zinc/06/24/49/646062449.db2.gz TTYPVKYMYXWRPK-CHWSQXEVSA-N 1 0 397.317 1.869 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422475002 646068974 /nfs/dbraw/zinc/06/89/74/646068974.db2.gz IBIYXUCBYZVMEZ-HNNXBMFYSA-N 1 0 382.302 1.660 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422551019 646077547 /nfs/dbraw/zinc/07/75/47/646077547.db2.gz CRZBMCVGAFMYSZ-KFWWJZLASA-N 1 0 388.555 1.864 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000422556152 646078486 /nfs/dbraw/zinc/07/84/86/646078486.db2.gz SGEMDDXHJBWDHZ-VWYCJHECSA-N 1 0 376.500 1.537 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])s1 ZINC000422942333 646101898 /nfs/dbraw/zinc/10/18/98/646101898.db2.gz WNNNYTIGERPJRT-NWANDNLSSA-N 1 0 375.560 1.621 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000422998799 646106960 /nfs/dbraw/zinc/10/69/60/646106960.db2.gz DJHCAJADURETHB-BXUZGUMPSA-N 1 0 398.301 1.612 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)nn1 ZINC000423066702 646110063 /nfs/dbraw/zinc/11/00/63/646110063.db2.gz FITBTPBOXLLXPC-OAHLLOKOSA-N 1 0 394.273 1.603 20 0 GDADRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000423098681 646113700 /nfs/dbraw/zinc/11/37/00/646113700.db2.gz DGHPJKNLSWZWJE-RISCZKNCSA-N 1 0 380.432 1.966 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423102146 646114515 /nfs/dbraw/zinc/11/45/15/646114515.db2.gz NZLCFDHBWXPQBE-OAHLLOKOSA-N 1 0 398.301 1.374 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000423160841 646117301 /nfs/dbraw/zinc/11/73/01/646117301.db2.gz NCFMRIUERAUAOM-DJIMGWMZSA-N 1 0 399.329 1.792 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423234512 646119993 /nfs/dbraw/zinc/11/99/93/646119993.db2.gz PTRQFYHSHHSDHD-LLVKDONJSA-N 1 0 386.265 1.757 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423235613 646120678 /nfs/dbraw/zinc/12/06/78/646120678.db2.gz GSJLNDKXMBNXEU-GOSISDBHSA-N 1 0 394.313 1.662 20 0 GDADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423243213 646121839 /nfs/dbraw/zinc/12/18/39/646121839.db2.gz ZQDRQRYVYCYLFE-CQSZACIVSA-N 1 0 396.285 1.553 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000423290639 646123066 /nfs/dbraw/zinc/12/30/66/646123066.db2.gz DWEXSFXFVHBJKR-KCJUWKMLSA-N 1 0 397.229 1.567 20 0 GDADRO C[C@@H](NCC(F)(F)CN)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423342935 646123233 /nfs/dbraw/zinc/12/32/33/646123233.db2.gz ZNUGVYNUIFXQBL-CYBMUJFWSA-N 1 0 378.489 1.161 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000423529703 646127935 /nfs/dbraw/zinc/12/79/35/646127935.db2.gz QKJDMJJZBUYYAW-UHFFFAOYSA-N 1 0 386.265 1.541 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000423564147 646130874 /nfs/dbraw/zinc/13/08/74/646130874.db2.gz LEFLDMRERJUCCO-SNVBAGLBSA-N 1 0 388.693 1.881 20 0 GDADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423573943 646132123 /nfs/dbraw/zinc/13/21/23/646132123.db2.gz ZIJOYRVMWRGNJE-VXGBXAGGSA-N 1 0 384.274 1.155 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423578851 646132669 /nfs/dbraw/zinc/13/26/69/646132669.db2.gz MVMAENVGYNWTFQ-YPMHNXCESA-N 1 0 398.276 1.615 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Br)C1 ZINC000423580109 646133391 /nfs/dbraw/zinc/13/33/91/646133391.db2.gz QUFMOFGGWAOSKT-CYBMUJFWSA-N 1 0 386.265 1.757 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423580314 646133401 /nfs/dbraw/zinc/13/34/01/646133401.db2.gz RKEAGXXCBWFOEN-GHJWDPDVSA-N 1 0 394.313 1.918 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Br)C1 ZINC000423581951 646133838 /nfs/dbraw/zinc/13/38/38/646133838.db2.gz WJJAYMWQSDXVMV-WDEREUQCSA-N 1 0 386.265 1.742 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC[C@H]1[NH3+] ZINC000423592957 646134365 /nfs/dbraw/zinc/13/43/65/646134365.db2.gz MGTSJAZUVOLOQI-KYOSRNDESA-N 1 0 395.301 1.703 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000423591575 646134634 /nfs/dbraw/zinc/13/46/34/646134634.db2.gz KKHLIRJZTWASIX-OAHLLOKOSA-N 1 0 395.301 1.705 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC[C@@H]1[NH3+] ZINC000423592962 646135217 /nfs/dbraw/zinc/13/52/17/646135217.db2.gz MGTSJAZUVOLOQI-ZLDLUXBVSA-N 1 0 395.301 1.703 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000423606913 646136580 /nfs/dbraw/zinc/13/65/80/646136580.db2.gz LWDSYHWKZQFUPD-SWLSCSKDSA-N 1 0 396.285 1.169 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000423615727 646137200 /nfs/dbraw/zinc/13/72/00/646137200.db2.gz ZGSFWBGKVZZHKE-WFASDCNBSA-N 1 0 396.285 1.169 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000423665069 646141378 /nfs/dbraw/zinc/14/13/78/646141378.db2.gz JEOSZIUEEKPJJF-AEGPPILISA-N 1 0 394.313 1.961 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000423676381 646141847 /nfs/dbraw/zinc/14/18/47/646141847.db2.gz GCKFZETWXRNUBZ-UHFFFAOYSA-N 1 0 386.265 1.757 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423672578 646141980 /nfs/dbraw/zinc/14/19/80/646141980.db2.gz OIAKDPGAWIHTQP-SUNKGSAMSA-N 1 0 389.315 1.807 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000423690672 646143352 /nfs/dbraw/zinc/14/33/52/646143352.db2.gz YRXMALKAJWYSRR-LRDDRELGSA-N 1 0 379.507 1.788 20 0 GDADRO CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)[C@H](C[NH3+])C1CC1 ZINC000423940703 646144456 /nfs/dbraw/zinc/14/44/56/646144456.db2.gz AWNSJANDWHHZCL-CQSZACIVSA-N 1 0 386.265 1.904 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H](C[NH3+])C1CC1 ZINC000423948168 646145725 /nfs/dbraw/zinc/14/57/25/646145725.db2.gz KRWALTCXABAESK-ZDUSSCGKSA-N 1 0 379.404 1.179 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C[NH3+])C3CC3)s2)CC1 ZINC000423956204 646146254 /nfs/dbraw/zinc/14/62/54/646146254.db2.gz SRWXFRSLPLOONL-AWEZNQCLSA-N 1 0 385.555 1.978 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423956829 646146389 /nfs/dbraw/zinc/14/63/89/646146389.db2.gz CYNPALDJHVHRBM-AMIZOPFISA-N 1 0 375.288 1.580 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000423954789 646146457 /nfs/dbraw/zinc/14/64/57/646146457.db2.gz NKBOMKYEIHGHHW-GFCCVEGCSA-N 1 0 382.258 1.535 20 0 GDADRO [NH3+]C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C1CCCC1 ZINC000423967880 646147728 /nfs/dbraw/zinc/14/77/28/646147728.db2.gz SZSRICAHDYWDCC-ZDUSSCGKSA-N 1 0 396.285 1.808 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)o1 ZINC000423977809 646148353 /nfs/dbraw/zinc/14/83/53/646148353.db2.gz JNDPJPPUISHMDZ-UHFFFAOYSA-N 1 0 384.483 1.706 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424021460 646153841 /nfs/dbraw/zinc/15/38/41/646153841.db2.gz NTCHFJPYEMZYQR-UWVGGRQHSA-N 1 0 390.303 1.205 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CCCO1 ZINC000424031017 646155387 /nfs/dbraw/zinc/15/53/87/646155387.db2.gz ZSASPUBMKJHIBZ-WFASDCNBSA-N 1 0 396.285 1.378 20 0 GDADRO C[C@@H]1C[C@H](C)N(C(=O)CSCc2cc(=O)n3ccsc3n2)C[C@@H]1C[NH3+] ZINC000424062166 646158322 /nfs/dbraw/zinc/15/83/22/646158322.db2.gz YINJJLGYXKPOQN-AGIUHOORSA-N 1 0 380.539 1.821 20 0 GDADRO Cc1c(C(=O)N2CCC(O)(C[NH3+])CC2)cnn1-c1ccc(Br)cc1 ZINC000424065127 646159009 /nfs/dbraw/zinc/15/90/09/646159009.db2.gz WNGBMAAAXANSGC-UHFFFAOYSA-N 1 0 393.285 1.869 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)s1 ZINC000424075392 646160628 /nfs/dbraw/zinc/16/06/28/646160628.db2.gz MAHBJFFODDLVTJ-CYBMUJFWSA-N 1 0 379.507 1.370 20 0 GDADRO CS(=O)(=O)CCCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000424168090 646161193 /nfs/dbraw/zinc/16/11/93/646161193.db2.gz FENHFZRJDBWRHG-UHFFFAOYSA-N 1 0 387.303 1.944 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000424365226 646175163 /nfs/dbraw/zinc/17/51/63/646175163.db2.gz VDDFVWKWEBAWQJ-HZPDHXFCSA-N 1 0 387.527 1.019 20 0 GDADRO O=C(CNC(=O)c1cc(Br)ccc1O)NCC[NH+]1CCCCCC1 ZINC000436709791 646205345 /nfs/dbraw/zinc/20/53/45/646205345.db2.gz ZMWVRGKTUAORJR-UHFFFAOYSA-N 1 0 398.301 1.877 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]CCCCOc1ccccc1 ZINC000437992475 646216135 /nfs/dbraw/zinc/21/61/35/646216135.db2.gz KAGIBLIAZIRNCI-UHFFFAOYSA-N 1 0 385.511 1.884 20 0 GDADRO CNC(=O)[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000439436177 646231738 /nfs/dbraw/zinc/23/17/38/646231738.db2.gz HRMXBUCSEAZXJB-JSGCOSHPSA-N 1 0 377.254 1.688 20 0 GDADRO CNC(=O)C1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439441409 646232464 /nfs/dbraw/zinc/23/24/64/646232464.db2.gz QQRBTOWLVMENPM-CQSZACIVSA-N 1 0 389.265 1.786 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000440083663 646238703 /nfs/dbraw/zinc/23/87/03/646238703.db2.gz UEHVDAIVFSPQSN-LLVKDONJSA-N 1 0 381.495 1.206 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(Br)c1 ZINC000442248808 646264124 /nfs/dbraw/zinc/26/41/24/646264124.db2.gz HSALZOCOBXJUJM-GFCCVEGCSA-N 1 0 394.269 1.869 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000917536003 660215281 /nfs/dbraw/zinc/21/52/81/660215281.db2.gz LWAWDOMBKVSNTQ-UHFFFAOYSA-N 1 0 381.292 1.556 20 0 GDADRO COc1ncc(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)s1 ZINC000917745279 660220972 /nfs/dbraw/zinc/22/09/72/660220972.db2.gz CQMAMGCVLZZYDH-LBPRGKRZSA-N 1 0 375.516 1.416 20 0 GDADRO O=C(c1nc2ccc(Br)cn2n1)N1CC[NH2+]CCC12CCOCC2 ZINC000900476696 659113012 /nfs/dbraw/zinc/11/30/12/659113012.db2.gz CJRGFAJGSPWXNE-UHFFFAOYSA-N 1 0 394.273 1.477 20 0 GDADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(I)s2)C1 ZINC000903484142 659316681 /nfs/dbraw/zinc/31/66/81/659316681.db2.gz VGTWOMWNFLSUCB-QMMMGPOBSA-N 1 0 386.280 1.712 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCN2CCOC2=O)CC1 ZINC000918187141 660231429 /nfs/dbraw/zinc/23/14/29/660231429.db2.gz WBMJCMMSSJJBIN-UHFFFAOYSA-N 1 0 397.273 1.947 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000918948302 660243468 /nfs/dbraw/zinc/24/34/68/660243468.db2.gz ZPAHUJZBALHQIQ-OAHLLOKOSA-N 1 0 380.432 1.924 20 0 GDADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NC[C@H]1CCCN(CC(F)(F)F)C1 ZINC000919002978 660244842 /nfs/dbraw/zinc/24/48/42/660244842.db2.gz CVDIIWCXKXFRSI-CABCVRRESA-N 1 0 383.480 1.666 20 0 GDADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CCn2cnc(C(F)(F)F)c2C1 ZINC000919720644 660256935 /nfs/dbraw/zinc/25/69/35/660256935.db2.gz INZWBMWLXGSULR-AWEZNQCLSA-N 1 0 378.420 1.533 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2nnc3ccc(Cl)cn32)cc1 ZINC000919667373 660256128 /nfs/dbraw/zinc/25/61/28/660256128.db2.gz ODOHKOYOMWOGOF-UHFFFAOYSA-N 1 0 379.873 1.923 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000442755402 647162224 /nfs/dbraw/zinc/16/22/24/647162224.db2.gz XXWQFGLKHPJVJT-UHFFFAOYSA-N 1 0 380.436 1.405 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000443682386 647219981 /nfs/dbraw/zinc/21/99/81/647219981.db2.gz OQSXRMSVXZIIJF-BETUJISGSA-N 1 0 389.543 1.323 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CCSC1 ZINC000443918795 647228727 /nfs/dbraw/zinc/22/87/27/647228727.db2.gz MCSGCKKCSLWKNA-CQSZACIVSA-N 1 0 376.479 1.032 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC(F)F ZINC000444043325 647235517 /nfs/dbraw/zinc/23/55/17/647235517.db2.gz FHOZSCAQTBVTKB-UHFFFAOYSA-N 1 0 392.244 1.721 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000444196359 647243571 /nfs/dbraw/zinc/24/35/71/647243571.db2.gz MIJWJTAKDZBGFV-INIZCTEOSA-N 1 0 375.535 1.096 20 0 GDADRO Cc1c(C(=O)NCC[C@H]2CCC[NH2+]2)cc(Br)cc1S(N)(=O)=O ZINC000444263788 647247448 /nfs/dbraw/zinc/24/74/48/647247448.db2.gz FTQFJGOQDIHKIG-LLVKDONJSA-N 1 0 390.303 1.277 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CC[C@@H]1CC1(Cl)Cl)C2 ZINC000920276599 660268763 /nfs/dbraw/zinc/26/87/63/660268763.db2.gz XSQPFBLWCRODLV-ARILJUKYSA-N 1 0 399.384 1.969 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3c(Cl)cnn3C)C2)[C@H]1C(C)C ZINC000920304571 660270085 /nfs/dbraw/zinc/27/00/85/660270085.db2.gz ZZMHRLMLADLUIM-IXYNUQLISA-N 1 0 390.937 1.222 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000445553553 647269967 /nfs/dbraw/zinc/26/99/67/647269967.db2.gz MPVXSWIQEXXFCH-NEPJUHHUSA-N 1 0 391.515 1.005 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000445557180 647270256 /nfs/dbraw/zinc/27/02/56/647270256.db2.gz KCYMGPKEBZEXPP-UKRRQHHQSA-N 1 0 389.543 1.777 20 0 GDADRO CS(=O)(=O)Nc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1Cl ZINC000452391886 647323007 /nfs/dbraw/zinc/32/30/07/647323007.db2.gz QRHQCZDNRUKRHB-ZDUSSCGKSA-N 1 0 389.905 1.288 20 0 GDADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000453803224 647337467 /nfs/dbraw/zinc/33/74/67/647337467.db2.gz FZKCIMYVUXQASY-ZDUSSCGKSA-N 1 0 398.301 1.659 20 0 GDADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000453813278 647339012 /nfs/dbraw/zinc/33/90/12/647339012.db2.gz CAVHXQBBJYKXJO-ZDUSSCGKSA-N 1 0 398.301 1.659 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000921272899 660285538 /nfs/dbraw/zinc/28/55/38/660285538.db2.gz BQUZCJVOPSMQBJ-CQSZACIVSA-N 1 0 384.571 1.954 20 0 GDADRO C[NH2+]C(C)(C)CNC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000455950473 647393767 /nfs/dbraw/zinc/39/37/67/647393767.db2.gz GLLNTKFPVOYLTA-UHFFFAOYSA-N 1 0 386.294 1.800 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000457203940 647415264 /nfs/dbraw/zinc/41/52/64/647415264.db2.gz JMWGULIBEHALHU-UHFFFAOYSA-N 1 0 396.285 1.892 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)o1 ZINC000458204989 647438051 /nfs/dbraw/zinc/43/80/51/647438051.db2.gz RBRAEMBSDJJGAI-UHFFFAOYSA-N 1 0 385.511 1.795 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000458570615 647443624 /nfs/dbraw/zinc/44/36/24/647443624.db2.gz MGQYAZJJBIMIDQ-UHFFFAOYSA-N 1 0 382.939 1.319 20 0 GDADRO OC[C@]1(O)CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000459643043 647462534 /nfs/dbraw/zinc/46/25/34/647462534.db2.gz HVTHNGMXLALLOU-HNNXBMFYSA-N 1 0 391.249 1.879 20 0 GDADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000460803175 647474795 /nfs/dbraw/zinc/47/47/95/647474795.db2.gz IUCDZANILFKQEU-AWEZNQCLSA-N 1 0 384.318 1.922 20 0 GDADRO CSC1(CNC(=O)c2ccc(-n3cnnn3)cc2Cl)CC[NH+](C)CC1 ZINC000460975549 647481681 /nfs/dbraw/zinc/48/16/81/647481681.db2.gz AUATYPVGVHQPMT-UHFFFAOYSA-N 1 0 380.905 1.873 20 0 GDADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@]1(CO)CCOC1 ZINC000461383130 647492255 /nfs/dbraw/zinc/49/22/55/647492255.db2.gz UHUJSRLOLBIEBV-WFASDCNBSA-N 1 0 394.693 1.925 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000461894323 647503072 /nfs/dbraw/zinc/50/30/72/647503072.db2.gz JPCXNKUGBIFFIE-INIZCTEOSA-N 1 0 389.543 1.586 20 0 GDADRO C[C@@H](OC[C@@H](O)C[N@H+](CCNS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000463210100 647552730 /nfs/dbraw/zinc/55/27/30/647552730.db2.gz BOEKAROFYOXBQN-DYVFJYSZSA-N 1 0 390.933 1.792 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccc(Br)cc1OCCCO ZINC000463365562 647558076 /nfs/dbraw/zinc/55/80/76/647558076.db2.gz HSJVNHOUTAZKIH-ZJUUUORDSA-N 1 0 388.262 1.444 20 0 GDADRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000464777842 647588409 /nfs/dbraw/zinc/58/84/09/647588409.db2.gz RRNQTYFHRQEOER-JKSUJKDBSA-N 1 0 393.619 1.769 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H](Cc3nccs3)C2)CC1 ZINC000921372146 660293516 /nfs/dbraw/zinc/29/35/16/660293516.db2.gz HKOMNHWAHINVFD-INIZCTEOSA-N 1 0 386.587 1.365 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)C[N@@H+]1Cc1ccccc1 ZINC000467761466 647650417 /nfs/dbraw/zinc/65/04/17/647650417.db2.gz ZKNAGODGMLUHJV-GXTWGEPZSA-N 1 0 379.507 1.788 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000468849043 647679353 /nfs/dbraw/zinc/67/93/53/647679353.db2.gz FSOZSYRNOYWRIL-CQSZACIVSA-N 1 0 391.628 1.538 20 0 GDADRO COc1cc(Br)c(CN(C)CC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000469991887 647718657 /nfs/dbraw/zinc/71/86/57/647718657.db2.gz LAAURIMGKGPVNP-UHFFFAOYSA-N 1 0 386.290 1.330 20 0 GDADRO Cc1cc(Br)cn2c(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)cnc12 ZINC000470007755 647719638 /nfs/dbraw/zinc/71/96/38/647719638.db2.gz CZEGEHMXJFYVPL-CYBMUJFWSA-N 1 0 394.317 1.692 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000470306887 647722096 /nfs/dbraw/zinc/72/20/96/647722096.db2.gz GRIQEFKDTIQASC-HNNXBMFYSA-N 1 0 377.576 1.038 20 0 GDADRO C[C@H](C[NH3+])NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000470473421 647727584 /nfs/dbraw/zinc/72/75/84/647727584.db2.gz BGOYFUQTTBRJRX-GFCCVEGCSA-N 1 0 387.297 1.169 20 0 GDADRO Cc1cc(S(=O)(=O)NCCOCC[NH+](C)C)c(C)cc1Br ZINC000471628713 647749504 /nfs/dbraw/zinc/74/95/04/647749504.db2.gz QRTYXWMHZIBSBW-UHFFFAOYSA-N 1 0 379.320 1.922 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C[NH+](C)C)OCC)cc1 ZINC000921630205 660316346 /nfs/dbraw/zinc/31/63/46/660316346.db2.gz GEPRIBWCKMHJLV-CQSZACIVSA-N 1 0 392.543 1.115 20 0 GDADRO CCO[C@H](CNS(=O)(=O)Cc1ccc(Br)c(F)c1)C[NH+](C)C ZINC000921630395 660316354 /nfs/dbraw/zinc/31/63/54/660316354.db2.gz HEFQUJVWFICCAN-GFCCVEGCSA-N 1 0 397.310 1.974 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)C[NH+](C)C ZINC000921631600 660316681 /nfs/dbraw/zinc/31/66/81/660316681.db2.gz BRFSKKLXTADEAL-LLVKDONJSA-N 1 0 396.868 1.511 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C[NH+](C)C ZINC000921636341 660317811 /nfs/dbraw/zinc/31/78/11/660317811.db2.gz NGDYWWTXXCOSTA-NSHDSACASA-N 1 0 378.878 1.356 20 0 GDADRO CS(=O)(=O)CCCCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000477079932 647793554 /nfs/dbraw/zinc/79/35/54/647793554.db2.gz AUIXGNCEPXVOMO-UHFFFAOYSA-N 1 0 375.535 1.146 20 0 GDADRO Cc1c(C(=O)N2CC[NH2+]C(C)(C)C2)cc(Br)cc1S(N)(=O)=O ZINC000477332166 647800617 /nfs/dbraw/zinc/80/06/17/647800617.db2.gz KOOXNTFXMFYFHK-UHFFFAOYSA-N 1 0 390.303 1.229 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479404774 647831035 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CC[NH+](CC)CCOCCNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000481046644 647867177 /nfs/dbraw/zinc/86/71/77/647867177.db2.gz IBQQERPSYCPBTQ-UHFFFAOYSA-N 1 0 389.294 1.628 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)CCSC1 ZINC000481178542 647871162 /nfs/dbraw/zinc/87/11/62/647871162.db2.gz WKUDWDWCBIAWKD-LBEHMCEESA-N 1 0 386.587 1.266 20 0 GDADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000921718139 660325597 /nfs/dbraw/zinc/32/55/97/660325597.db2.gz HWUQSLOLUIYOOQ-QQFBHYJXSA-N 1 0 378.560 1.138 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000484564732 647919113 /nfs/dbraw/zinc/91/91/13/647919113.db2.gz HPKQNCTYYZKBMI-MNOVXSKESA-N 1 0 394.269 1.631 20 0 GDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000486291838 647934890 /nfs/dbraw/zinc/93/48/90/647934890.db2.gz MHAJKVSSONNRMZ-IRXDYDNUSA-N 1 0 394.313 1.739 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1I ZINC000489080623 647970612 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COc1cc(F)c(Br)cc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000528057968 648710450 /nfs/dbraw/zinc/71/04/50/648710450.db2.gz ZPNCQWFSTPLWMQ-UHFFFAOYSA-N 1 0 397.266 1.383 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000571031218 651063346 /nfs/dbraw/zinc/06/33/46/651063346.db2.gz ZYTVKBAXZQJVPU-MELADBBJSA-N 1 0 386.543 1.280 20 0 GDADRO COc1ccc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(Br)c1 ZINC000571037943 651063817 /nfs/dbraw/zinc/06/38/17/651063817.db2.gz SZUCYAPMRREQIY-LBPRGKRZSA-N 1 0 394.273 1.985 20 0 GDADRO C[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000571045725 651063999 /nfs/dbraw/zinc/06/39/99/651063999.db2.gz FJVPDIWZUDXSRU-MRVPVSSYSA-N 1 0 384.285 1.086 20 0 GDADRO NC(=O)NC(=O)CC[NH2+]Cc1ccc(Cl)cc1I ZINC000571040508 651064119 /nfs/dbraw/zinc/06/41/19/651064119.db2.gz GGKCYQRSNRYCJM-UHFFFAOYSA-N 1 0 381.601 1.619 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000571128067 651065838 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0 GDADRO CS(=O)(=O)c1ccc(OCC[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000572595048 651099819 /nfs/dbraw/zinc/09/98/19/651099819.db2.gz QLCCRJFRAXGQIU-UHFFFAOYSA-N 1 0 383.491 1.532 20 0 GDADRO O[C@@H](C[NH2+]CC1(O)CCCC1)COc1ccc(I)cc1 ZINC000572602584 651100007 /nfs/dbraw/zinc/10/00/07/651100007.db2.gz XGMVLBCEVLCBHP-ZDUSSCGKSA-N 1 0 391.249 1.926 20 0 GDADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000572638746 651100960 /nfs/dbraw/zinc/10/09/60/651100960.db2.gz RYBXFHVWZRCIFK-MFKMUULPSA-N 1 0 380.279 1.922 20 0 GDADRO O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1CCOc2c(Br)cccc21 ZINC000572824921 651106713 /nfs/dbraw/zinc/10/67/13/651106713.db2.gz AXYZJPPMWPBXEP-ZDUSSCGKSA-N 1 0 397.273 1.004 20 0 GDADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000572876495 651461352 /nfs/dbraw/zinc/46/13/52/651461352.db2.gz IWJSKAWAWVGCNY-LRDDRELGSA-N 1 0 375.441 1.267 20 0 GDADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000572952062 651464126 /nfs/dbraw/zinc/46/41/26/651464126.db2.gz VYMPATAJPGPRLI-GXFFZTMASA-N 1 0 382.258 1.903 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000573009245 651465677 /nfs/dbraw/zinc/46/56/77/651465677.db2.gz XKCNUOQPABNOOH-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573096260 651467800 /nfs/dbraw/zinc/46/78/00/651467800.db2.gz VHEYEODFECLIGR-OAHLLOKOSA-N 1 0 386.315 1.729 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1nnc(SCc2ccccc2)s1 ZINC000573482860 651480417 /nfs/dbraw/zinc/48/04/17/651480417.db2.gz FQRAXSBHONLAQY-GFCCVEGCSA-N 1 0 377.495 1.637 20 0 GDADRO C[C@@]1(F)C[NH2+]CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000573683848 651490754 /nfs/dbraw/zinc/49/07/54/651490754.db2.gz AMHDJCYUQYSTNI-OAHLLOKOSA-N 1 0 377.869 1.315 20 0 GDADRO O=S(=O)(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000573802055 651495642 /nfs/dbraw/zinc/49/56/42/651495642.db2.gz ZWRQEMKBEDNBSF-RRFJBIMHSA-N 1 0 377.432 1.298 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000573826547 651498115 /nfs/dbraw/zinc/49/81/15/651498115.db2.gz CAOCJMIZJRCDMK-UHFFFAOYSA-N 1 0 386.539 1.775 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c1 ZINC000573831986 651498203 /nfs/dbraw/zinc/49/82/03/651498203.db2.gz RBCFVWBEOQRNGG-UHFFFAOYSA-N 1 0 386.524 1.832 20 0 GDADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000574059223 651514001 /nfs/dbraw/zinc/51/40/01/651514001.db2.gz GYGGTWRHIABJRP-RDJZCZTQSA-N 1 0 389.539 1.552 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(Cc3nc(-c4cccc(Br)c4)c[nH]3)CCN2C1=O ZINC000574171642 651520969 /nfs/dbraw/zinc/52/09/69/651520969.db2.gz YNDHAZURWPFUBV-KGLIPLIRSA-N 1 0 390.285 1.583 20 0 GDADRO C[C@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c2ccsc2S1(=O)=O ZINC000574261746 651526316 /nfs/dbraw/zinc/52/63/16/651526316.db2.gz WHTCUYQYCADDGM-INTQDDNPSA-N 1 0 379.454 1.652 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000574294713 651530752 /nfs/dbraw/zinc/53/07/52/651530752.db2.gz UMNVWJIHCUTUEF-NEPJUHHUSA-N 1 0 398.305 1.882 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000574322464 651532336 /nfs/dbraw/zinc/53/23/36/651532336.db2.gz SBZDJIYNAJPUKW-LLVKDONJSA-N 1 0 376.201 1.292 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000574326245 651532869 /nfs/dbraw/zinc/53/28/69/651532869.db2.gz JZGKIGALVQUJLH-QWRGUYRKSA-N 1 0 377.557 1.341 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000574398531 651538509 /nfs/dbraw/zinc/53/85/09/651538509.db2.gz BHRYFTVTNWGDMA-UWVGGRQHSA-N 1 0 375.878 1.678 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1OC ZINC000574399484 651539002 /nfs/dbraw/zinc/53/90/02/651539002.db2.gz APBIBPKBVBUIML-NSHDSACASA-N 1 0 390.889 1.885 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000574450230 651543326 /nfs/dbraw/zinc/54/33/26/651543326.db2.gz HHRVIHXPJAXEKI-VHSXEESVSA-N 1 0 397.328 1.697 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3ccc(Br)c(C4CC4)n3)CCN2C1=O ZINC000574466511 651545280 /nfs/dbraw/zinc/54/52/80/651545280.db2.gz JCTPFJBSKZQBGF-ZYHUDNBSSA-N 1 0 394.273 1.497 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000574501753 651547234 /nfs/dbraw/zinc/54/72/34/651547234.db2.gz UZKUOZGIQALAFC-HUUCEWRRSA-N 1 0 385.555 1.892 20 0 GDADRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1[NH+](C)C ZINC000574563761 651552098 /nfs/dbraw/zinc/55/20/98/651552098.db2.gz PEPMWIJQYCJHKN-ZIAGYGMSSA-N 1 0 391.946 1.122 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000574636129 651555145 /nfs/dbraw/zinc/55/51/45/651555145.db2.gz IDFZIPKZCPILIX-GWCFXTLKSA-N 1 0 384.274 1.503 20 0 GDADRO CC[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000574668106 651558821 /nfs/dbraw/zinc/55/88/21/651558821.db2.gz HKGFZWBALMTITN-UHFFFAOYSA-N 1 0 388.559 1.380 20 0 GDADRO CN1CCN([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c2cccs2)CC1 ZINC000575025640 651577270 /nfs/dbraw/zinc/57/72/70/651577270.db2.gz FVZMSOVIYNHPNK-OLZOCXBDSA-N 1 0 375.489 1.318 20 0 GDADRO CN1CCN([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c2cccs2)CC1 ZINC000575025641 651577451 /nfs/dbraw/zinc/57/74/51/651577451.db2.gz FVZMSOVIYNHPNK-QWHCGFSZSA-N 1 0 375.489 1.318 20 0 GDADRO COc1cc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)sc1S(N)(=O)=O ZINC000576400346 651660141 /nfs/dbraw/zinc/66/01/41/651660141.db2.gz HPLYMMRXCLYCIE-LBPRGKRZSA-N 1 0 381.479 1.021 20 0 GDADRO OC[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccc(Br)c(F)c1 ZINC000576450057 651665109 /nfs/dbraw/zinc/66/51/09/651665109.db2.gz CNARIGNBAPTQFQ-XEZPLFJOSA-N 1 0 392.265 1.768 20 0 GDADRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)[C@H](C)C[NH2+]1 ZINC000576730308 651682491 /nfs/dbraw/zinc/68/24/91/651682491.db2.gz SBILBRUNOHEJMV-GHMZBOCLSA-N 1 0 392.884 1.149 20 0 GDADRO CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2c1C ZINC000576874449 651692157 /nfs/dbraw/zinc/69/21/57/651692157.db2.gz PQVDQEIDDAONDL-ITGUQSILSA-N 1 0 381.479 1.278 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000576880150 651692673 /nfs/dbraw/zinc/69/26/73/651692673.db2.gz NARILXJROHARNU-UHFFFAOYSA-N 1 0 390.303 1.298 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CCN2C1=O ZINC000576886928 651693050 /nfs/dbraw/zinc/69/30/50/651693050.db2.gz CAMVPRXBNKKFBW-GWCFXTLKSA-N 1 0 378.281 1.067 20 0 GDADRO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000576886645 651693194 /nfs/dbraw/zinc/69/31/94/651693194.db2.gz SXMMPAAQNVVDNK-JKSUJKDBSA-N 1 0 389.587 1.086 20 0 GDADRO O=C(COc1ccc(Br)cc1F)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000576965292 651697965 /nfs/dbraw/zinc/69/79/65/651697965.db2.gz WKIRMMMZFSTYBQ-MRXNPFEDSA-N 1 0 387.249 1.540 20 0 GDADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000577041115 651702966 /nfs/dbraw/zinc/70/29/66/651702966.db2.gz SLKRURXGOFGJIV-UHFFFAOYSA-N 1 0 388.555 1.772 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000577483232 651731914 /nfs/dbraw/zinc/73/19/14/651731914.db2.gz XGKLLTBWFNNFGE-UHFFFAOYSA-N 1 0 387.299 1.577 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000577511999 651734687 /nfs/dbraw/zinc/73/46/87/651734687.db2.gz GNLMTLFSROZVNN-RYUDHWBXSA-N 1 0 375.560 1.857 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000577728460 651747819 /nfs/dbraw/zinc/74/78/19/651747819.db2.gz GMDILCCQNWHURM-ZJUUUORDSA-N 1 0 383.392 1.106 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000577791640 651752664 /nfs/dbraw/zinc/75/26/64/651752664.db2.gz KEBSGLZIXUMKJC-CYBMUJFWSA-N 1 0 376.548 1.446 20 0 GDADRO CN1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000577847570 651757853 /nfs/dbraw/zinc/75/78/53/651757853.db2.gz WFSBDBCWUBHQTE-OLZOCXBDSA-N 1 0 385.295 1.448 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577849847 651758020 /nfs/dbraw/zinc/75/80/20/651758020.db2.gz JMKITGBPMFZVDI-WDEREUQCSA-N 1 0 392.262 1.521 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCN2C)nn1-c1ccc(Br)cc1 ZINC000578005940 651764943 /nfs/dbraw/zinc/76/49/43/651764943.db2.gz FQMYZCYFKXCEBI-HNNXBMFYSA-N 1 0 392.301 1.577 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@]1(CCO)CCOC1)c1cccc(Br)c1 ZINC000578193184 651779246 /nfs/dbraw/zinc/77/92/46/651779246.db2.gz PZQCJLOEDZDNID-OAHLLOKOSA-N 1 0 392.315 1.602 20 0 GDADRO CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000578221312 651782260 /nfs/dbraw/zinc/78/22/60/651782260.db2.gz NNIUHFVIFHOPRA-CQSZACIVSA-N 1 0 385.555 1.892 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)COCC2CC2)CC1 ZINC000578220998 651782275 /nfs/dbraw/zinc/78/22/75/651782275.db2.gz VHPYJDDOVIEJBA-UHFFFAOYSA-N 1 0 383.290 1.961 20 0 GDADRO C[C@@]([NH3+])(C(=O)N1CCO[C@@H](C(=O)C2CC2)C1)c1ccc(Br)cc1 ZINC000578235707 651783280 /nfs/dbraw/zinc/78/32/80/651783280.db2.gz SEIMKVBVJWOPKI-PBHICJAKSA-N 1 0 381.270 1.830 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000578542556 651799258 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OPDYIOZUEDTIPN-SMDDNHRTSA-N 1 0 380.290 1.997 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000627020843 653066960 /nfs/dbraw/zinc/06/69/60/653066960.db2.gz NGSRYLADPPFNRP-GDLCADMTSA-N 1 0 381.274 1.604 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C[NH2+]1 ZINC000627027403 653067336 /nfs/dbraw/zinc/06/73/36/653067336.db2.gz PBHJNIHYDVJFOW-QWHCGFSZSA-N 1 0 388.921 1.448 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21)[NH+](C)C ZINC000627192759 653068484 /nfs/dbraw/zinc/06/84/84/653068484.db2.gz NGTCBSRGHUJJNH-NSHDSACASA-N 1 0 380.286 1.894 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)c1cc(F)c(Cl)cc1Cl ZINC000627292071 653071424 /nfs/dbraw/zinc/07/14/24/653071424.db2.gz KYHWXTFUGFEILT-SECBINFHSA-N 1 0 392.258 1.934 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)c1 ZINC000627316860 653072028 /nfs/dbraw/zinc/07/20/28/653072028.db2.gz XFLFJMOIGGNUGS-OAHLLOKOSA-N 1 0 382.302 1.830 20 0 GDADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627346588 653072965 /nfs/dbraw/zinc/07/29/65/653072965.db2.gz XFLKBROGGWGQKI-NSHDSACASA-N 1 0 376.284 1.522 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000627411564 653074860 /nfs/dbraw/zinc/07/48/60/653074860.db2.gz LYMAZMNDUBYNBG-ZWNOBZJWSA-N 1 0 399.289 1.103 20 0 GDADRO [NH3+]CCCOCCNC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000627485231 653075613 /nfs/dbraw/zinc/07/56/13/653075613.db2.gz VZCUIYWCFUVDFF-UHFFFAOYSA-N 1 0 388.295 1.966 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)C[C@H]21 ZINC000627648310 653077060 /nfs/dbraw/zinc/07/70/60/653077060.db2.gz FOXSIBFBOOEVSC-BCUIYNNISA-N 1 0 392.297 1.820 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(Br)ccc1OC(F)F ZINC000629168525 653134873 /nfs/dbraw/zinc/13/48/73/653134873.db2.gz XVWNQRLAWNSKHQ-SNVBAGLBSA-N 1 0 379.201 1.847 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC000629353378 653160881 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1 0 386.279 1.529 20 0 GDADRO C[NH2+]C1(CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CCC1 ZINC000630000599 653195519 /nfs/dbraw/zinc/19/55/19/653195519.db2.gz MPCXPTNMCMTFHF-UHFFFAOYSA-N 1 0 389.315 1.622 20 0 GDADRO O=C(CN1CCC[NH2+]CC1)NCc1cn(-c2cc(Cl)ccc2Cl)nn1 ZINC000630598969 653217858 /nfs/dbraw/zinc/21/78/58/653217858.db2.gz CLIFSMNPWOCLPG-UHFFFAOYSA-N 1 0 383.283 1.486 20 0 GDADRO O=C1C(=O)N(Cc2cn([C@H]3CC[NH2+]C3)nn2)c2ccc(Br)cc21 ZINC000630596267 653217912 /nfs/dbraw/zinc/21/79/12/653217912.db2.gz MWHLEIBRHHDMSV-NSHDSACASA-N 1 0 376.214 1.305 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000630733582 653221593 /nfs/dbraw/zinc/22/15/93/653221593.db2.gz BEERWHWADGGMRH-UHFFFAOYSA-N 1 0 394.317 1.854 20 0 GDADRO CNC(=O)CN1CCC([NH2+]Cc2cc(OC)c(Br)cc2F)CC1 ZINC000631039148 653229390 /nfs/dbraw/zinc/22/93/90/653229390.db2.gz CZUJWRGZYWXASQ-UHFFFAOYSA-N 1 0 388.281 1.897 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000631624390 653240947 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GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000631815384 653256823 /nfs/dbraw/zinc/25/68/23/653256823.db2.gz NCHVGDBKDXDXJF-UHFFFAOYSA-N 1 0 379.448 1.762 20 0 GDADRO CN(CCCOc1cccc(S(C)(=O)=O)c1)S(=O)(=O)CCC[NH+](C)C ZINC000631844311 653258670 /nfs/dbraw/zinc/25/86/70/653258670.db2.gz HMJKPCREQOXDNV-UHFFFAOYSA-N 1 0 392.543 1.072 20 0 GDADRO O=S(=O)(CCN1CCC([NH2+]CCO)CC1)c1cccc(Br)c1 ZINC000631864830 653261715 /nfs/dbraw/zinc/26/17/15/653261715.db2.gz YDVDYXBEBWPOEW-UHFFFAOYSA-N 1 0 391.331 1.269 20 0 GDADRO C[NH+]1CCN(C[C@@H](NS(=O)(=O)c2c[nH]c(=O)s2)c2ccccc2)CC1 ZINC000631895869 653263571 /nfs/dbraw/zinc/26/35/71/653263571.db2.gz ZGKTULKKFJPGDQ-CQSZACIVSA-N 1 0 382.511 1.116 20 0 GDADRO Cc1nc2sccn2c1CN(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631896286 653263723 /nfs/dbraw/zinc/26/37/23/653263723.db2.gz UOCJAUPLZOMJTK-UHFFFAOYSA-N 1 0 385.559 1.103 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000631903924 653265493 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C[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(OCC(F)(F)F)cc1 ZINC000631915108 653268945 /nfs/dbraw/zinc/26/89/45/653268945.db2.gz DWJCBLLNOYZIAO-FZMZJTMJSA-N 1 0 382.404 1.597 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000631914745 653268974 /nfs/dbraw/zinc/26/89/74/653268974.db2.gz WNEFYRSLYVJADJ-GJZGRUSLSA-N 1 0 389.315 1.904 20 0 GDADRO COC1CC[NH+](C2(CNS(=O)(=O)c3c[nH]c(=O)s3)CCCC2)CC1 ZINC000631923319 653271721 /nfs/dbraw/zinc/27/17/21/653271721.db2.gz RYZLYCNDPUSXRD-UHFFFAOYSA-N 1 0 375.516 1.551 20 0 GDADRO C[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631924306 653271965 /nfs/dbraw/zinc/27/19/65/653271965.db2.gz RNLWHYOSLMBDEO-YOEHRIQHSA-N 1 0 387.933 1.337 20 0 GDADRO CCN(C[C@H]1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C1)CC(F)(F)F ZINC000631925205 653272094 /nfs/dbraw/zinc/27/20/94/653272094.db2.gz PNMYMVXBWWOVDB-CYBMUJFWSA-N 1 0 386.484 1.121 20 0 GDADRO COCC1(CNS(=O)(=O)c2cscc2Br)CC[NH2+]CC1 ZINC000631936793 653274680 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CC(=O)N1CCc2sc(S(=O)(=O)NCc3ccc(C[NH3+])cc3)cc2C1 ZINC000658383158 654187963 /nfs/dbraw/zinc/18/79/63/654187963.db2.gz BEEYJXIBFOPTMJ-UHFFFAOYSA-N 1 0 379.507 1.590 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000658394857 654189444 /nfs/dbraw/zinc/18/94/44/654189444.db2.gz AVZBUVQUFVQYRE-UHFFFAOYSA-N 1 0 375.288 1.960 20 0 GDADRO COc1cc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)c(OC)cc1Br ZINC000658404088 654190273 /nfs/dbraw/zinc/19/02/73/654190273.db2.gz NFZFMRLREMBDJE-UHFFFAOYSA-N 1 0 391.287 1.497 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc1F ZINC000658407170 654190745 /nfs/dbraw/zinc/19/07/45/654190745.db2.gz YLRFIYQOGJAHNM-CQSZACIVSA-N 1 0 395.522 1.629 20 0 GDADRO CCN(C(=O)C(=O)N(C)Cc1cc(Br)cn1C)[C@H]1CC[N@H+](C)C1 ZINC000658802108 654205869 /nfs/dbraw/zinc/20/58/69/654205869.db2.gz MCGFATDHHDNVOW-ZDUSSCGKSA-N 1 0 385.306 1.299 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000659113665 654215571 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O=C(NC[C@H](O)COc1ccccc1Br)NCC12CC(C1)C[NH2+]2 ZINC000659617583 654230248 /nfs/dbraw/zinc/23/02/48/654230248.db2.gz SLVAXHZLNZSMHV-BGMSHATGSA-N 1 0 384.274 1.240 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000659637861 654230923 /nfs/dbraw/zinc/23/09/23/654230923.db2.gz HBZCYTZREWENEB-LLVKDONJSA-N 1 0 375.336 1.946 20 0 GDADRO C[C@@H](COC1CCCC1)CS(=O)(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000660158486 654242245 /nfs/dbraw/zinc/24/22/45/654242245.db2.gz UXDAARGKSHULJH-WMZOPIPTSA-N 1 0 376.563 1.954 20 0 GDADRO O=C(CNC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2)Nc1ccccc1Br ZINC000661832995 654283943 /nfs/dbraw/zinc/28/39/43/654283943.db2.gz MBXYWCVVQBPCDB-ZIAGYGMSSA-N 1 0 396.285 1.397 20 0 GDADRO O=S(=O)(c1ccc(Cl)s1)N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248660 654290413 /nfs/dbraw/zinc/29/04/13/654290413.db2.gz IUTLXUULEZTKQF-LBPRGKRZSA-N 1 0 391.946 1.229 20 0 GDADRO COc1ccc([C@H](C[NH3+])CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1 ZINC000662298552 654292537 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GDADRO C[C@@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H]1CCC[NH3+] ZINC000662890674 654317062 /nfs/dbraw/zinc/31/70/62/654317062.db2.gz LMDVFDUSQDIYSP-ZYHUDNBSSA-N 1 0 387.278 1.077 20 0 GDADRO C[C@]1(NS(=O)(=O)c2cc3c(cc2Br)OCCO3)CC[NH2+]C1 ZINC000663313754 654333405 /nfs/dbraw/zinc/33/34/05/654333405.db2.gz PWBUNPJAVMUHFV-ZDUSSCGKSA-N 1 0 377.260 1.251 20 0 GDADRO CCS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000663364693 654335194 /nfs/dbraw/zinc/33/51/94/654335194.db2.gz UPENWUMSLONHFL-ZDUSSCGKSA-N 1 0 392.315 1.746 20 0 GDADRO [NH3+]CC(=O)N1CCC[C@@H](CN2CCOc3cc(Br)ccc3C2)C1 ZINC000663504493 654339428 /nfs/dbraw/zinc/33/94/28/654339428.db2.gz YYEDOAVCSVXIJN-ZDUSSCGKSA-N 1 0 382.302 1.841 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2cc(OC)ncc2Br)CC1 ZINC000663541584 654341339 /nfs/dbraw/zinc/34/13/39/654341339.db2.gz CDGMFCCUBLAGET-UHFFFAOYSA-N 1 0 385.306 1.843 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)c1ncnc2cc(F)c(Br)cc21 ZINC000664354580 654376212 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CCNS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000772975111 654577556 /nfs/dbraw/zinc/57/75/56/654577556.db2.gz CIWMEBHKEQKSQM-NSHDSACASA-N 1 0 392.319 1.695 20 0 GDADRO C[C@H]([NH2+][C@H](CCO)C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773015709 654578005 /nfs/dbraw/zinc/57/80/05/654578005.db2.gz OJHINZHUSMGFAJ-BLLLJJGKSA-N 1 0 390.527 1.224 20 0 GDADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccnc(Cl)c1 ZINC000773015849 654578308 /nfs/dbraw/zinc/57/83/08/654578308.db2.gz OILNZGVTDTUGOB-GFCCVEGCSA-N 1 0 383.905 1.972 20 0 GDADRO C[C@@H]([NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)c1cn[nH]c1 ZINC000773104567 654581718 /nfs/dbraw/zinc/58/17/18/654581718.db2.gz DZDBGXXGYTUHSP-VXGBXAGGSA-N 1 0 386.499 1.547 20 0 GDADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000673869513 654584270 /nfs/dbraw/zinc/58/42/70/654584270.db2.gz VRVRQRKLTGWVEW-CYBMUJFWSA-N 1 0 383.440 1.196 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000736092455 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O=C(NC[C@H]1CC1(Cl)Cl)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000775163927 654657559 /nfs/dbraw/zinc/65/75/59/654657559.db2.gz NKAZXYTXYOIDIL-CYBMUJFWSA-N 1 0 385.295 1.472 20 0 GDADRO COc1ccc(Br)c2[nH]c(C(=O)NC[C@](C)(O)C[NH+](C)C)cc21 ZINC000676998326 654658846 /nfs/dbraw/zinc/65/88/46/654658846.db2.gz RXWLPGQHDBBHEK-INIZCTEOSA-N 1 0 384.274 1.981 20 0 GDADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000775199751 654661609 /nfs/dbraw/zinc/66/16/09/654661609.db2.gz WPTWDKMFDSJPMI-LBPRGKRZSA-N 1 0 385.295 1.472 20 0 GDADRO C[N@@H+](C[C@H](O)c1ccc(F)c(Br)c1)C[C@@H](O)CN1CCOCC1 ZINC000775614093 654670572 /nfs/dbraw/zinc/67/05/72/654670572.db2.gz XVEHHZVIQMREPG-CJNGLKHVSA-N 1 0 391.281 1.247 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000775631483 654670690 /nfs/dbraw/zinc/67/06/90/654670690.db2.gz UXNGTWXGNPODNI-NEPJUHHUSA-N 1 0 396.481 1.983 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000775631633 654670868 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CCS(=O)(=O)CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000743264279 654715059 /nfs/dbraw/zinc/71/50/59/654715059.db2.gz KJXYJPABKUMLAS-OAHLLOKOSA-N 1 0 388.555 1.632 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)c(Br)c1 ZINC000743980497 654722117 /nfs/dbraw/zinc/72/21/17/654722117.db2.gz MXDGNKOZDLYCON-LLVKDONJSA-N 1 0 384.274 1.997 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCC1CN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000681667949 654735956 /nfs/dbraw/zinc/73/59/56/654735956.db2.gz HZTXOVOSBZQSGM-OAHLLOKOSA-N 1 0 388.921 1.133 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)Cn2cc(Br)cn2)CC1 ZINC000744817410 654737281 /nfs/dbraw/zinc/73/72/81/654737281.db2.gz AZWDKZKICMXDFR-UHFFFAOYSA-N 1 0 387.278 1.178 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000681991671 654744272 /nfs/dbraw/zinc/74/42/72/654744272.db2.gz WOUGRWWXNBEWBQ-GFCCVEGCSA-N 1 0 392.301 1.758 20 0 GDADRO Cc1nccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1Br ZINC000682108273 654748197 /nfs/dbraw/zinc/74/81/97/654748197.db2.gz ZAGUWIJQBUJXCA-UHFFFAOYSA-N 1 0 384.322 1.722 20 0 GDADRO CC[N@@H+](CC(=O)N(C)C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000682218962 654749930 /nfs/dbraw/zinc/74/99/30/654749930.db2.gz UDPKMIFSJGOXCZ-ZDUSSCGKSA-N 1 0 377.254 1.738 20 0 GDADRO CC(C)c1cc(NC[C@H](C)S(C)(=O)=O)nc(NC[C@H](C)S(C)(=O)=O)[nH+]1 ZINC000682918356 654764697 /nfs/dbraw/zinc/76/46/97/654764697.db2.gz QEIKGBDFKLNZLV-RYUDHWBXSA-N 1 0 392.547 1.290 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000747286612 654781994 /nfs/dbraw/zinc/78/19/94/654781994.db2.gz WFBNJWXPPGAIHF-ZDUSSCGKSA-N 1 0 378.926 1.503 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)COc2ccc(Br)cc2F)C1 ZINC000683914850 654787556 /nfs/dbraw/zinc/78/75/56/654787556.db2.gz YOGPKEMNJKEZLI-MRXNPFEDSA-N 1 0 389.265 1.882 20 0 GDADRO Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000780756751 654792649 /nfs/dbraw/zinc/79/26/49/654792649.db2.gz WNDMWUJFPFVLGX-KGLIPLIRSA-N 1 0 389.315 1.899 20 0 GDADRO C[C@H](COC1CCCC1)CS(=O)(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000685296738 654816746 /nfs/dbraw/zinc/81/67/46/654816746.db2.gz ZVZHQLHCQWOAGF-QGZVFWFLSA-N 1 0 375.579 1.481 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000781916802 654820455 /nfs/dbraw/zinc/82/04/55/654820455.db2.gz IDYBLSYJKRUQQQ-KGLIPLIRSA-N 1 0 389.543 1.380 20 0 GDADRO COC[C@@]1(C(=O)Nc2ccc(I)cc2F)C[NH2+]CCO1 ZINC000710702461 654834774 /nfs/dbraw/zinc/83/47/74/654834774.db2.gz HEFNMGOUVJSLNP-CYBMUJFWSA-N 1 0 394.184 1.374 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000782173396 654825673 /nfs/dbraw/zinc/82/56/73/654825673.db2.gz FXXSRKWEAGHDAP-INIZCTEOSA-N 1 0 381.274 1.677 20 0 GDADRO CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000685854297 654829852 /nfs/dbraw/zinc/82/98/52/654829852.db2.gz PAUSZTJVZQSIGC-LLVKDONJSA-N 1 0 394.324 1.824 20 0 GDADRO CO[C@]1(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CCS(=O)(=O)C1 ZINC000721257880 654838420 /nfs/dbraw/zinc/83/84/20/654838420.db2.gz XMPVVKCVLSNFCO-XNJGSVPQSA-N 1 0 376.519 1.472 20 0 GDADRO COC(C)(C)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721752548 654839567 /nfs/dbraw/zinc/83/95/67/654839567.db2.gz LZAVHTGKGSRYMP-UONOGXRCSA-N 1 0 378.535 1.814 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](CNC(=S)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000726485226 654854521 /nfs/dbraw/zinc/85/45/21/654854521.db2.gz LXGUBEJQXKMZPG-OAHLLOKOSA-N 1 0 384.571 1.419 20 0 GDADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 ZINC000750895045 654863944 /nfs/dbraw/zinc/86/39/44/654863944.db2.gz OTTIQUDNIUNQJV-KBPBESRZSA-N 1 0 380.601 1.193 20 0 GDADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CSCCS1 ZINC000751006382 654868049 /nfs/dbraw/zinc/86/80/49/654868049.db2.gz ZREVVHRKMSAEHZ-HNNXBMFYSA-N 1 0 381.571 1.344 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)C3(n4cc(Br)cn4)CC3)CC2)CC1 ZINC000828517795 654871193 /nfs/dbraw/zinc/87/11/93/654871193.db2.gz PNMJAMFCOMHGCS-UHFFFAOYSA-N 1 0 396.333 1.373 20 0 GDADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCCNC1=O ZINC000784340785 654883187 /nfs/dbraw/zinc/88/31/87/654883187.db2.gz FJZLFHIYXBGNTM-ZFWWWQNUSA-N 1 0 389.265 1.928 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCSCc2ccnc(Cl)c2)C1 ZINC000828800298 654884369 /nfs/dbraw/zinc/88/43/69/654884369.db2.gz DHCWLTVDDQBJJD-CQSZACIVSA-N 1 0 384.933 1.685 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000728688084 654893678 /nfs/dbraw/zinc/89/36/78/654893678.db2.gz FFMLVAGJKDFYCN-HNNXBMFYSA-N 1 0 377.551 1.847 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ncc(Br)s2)cn1 ZINC000829523678 654903033 /nfs/dbraw/zinc/90/30/33/654903033.db2.gz LMVMALAFPPIJBH-NEPJUHHUSA-N 1 0 398.330 1.991 20 0 GDADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000729434315 654909853 /nfs/dbraw/zinc/90/98/53/654909853.db2.gz VURRANOKGMOHEO-UHFFFAOYSA-N 1 0 391.921 1.936 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)c1c(C)nn(C)c1Br ZINC000801151351 654910265 /nfs/dbraw/zinc/91/02/65/654910265.db2.gz OMOKCZMIPHITPB-UHFFFAOYSA-N 1 0 375.311 1.921 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000801172739 654911672 /nfs/dbraw/zinc/91/16/72/654911672.db2.gz GBMWJODJCFCWBX-KGLIPLIRSA-N 1 0 399.333 1.989 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN1CCO[C@H](C)C1 ZINC000729682896 654914392 /nfs/dbraw/zinc/91/43/92/654914392.db2.gz GXNWMYIDLZIKGK-OCCSQVGLSA-N 1 0 390.937 1.015 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000785435787 654917444 /nfs/dbraw/zinc/91/74/44/654917444.db2.gz GWXVKNHQUBAKNE-UHFFFAOYSA-N 1 0 387.303 1.559 20 0 GDADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000785471017 654918064 /nfs/dbraw/zinc/91/80/64/654918064.db2.gz UYURJVRZUSGDJU-LLVKDONJSA-N 1 0 378.274 1.650 20 0 GDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@H]2CSCCS2)CC1 ZINC000752062503 654919312 /nfs/dbraw/zinc/91/93/12/654919312.db2.gz AYDCPJGIWDLKLQ-HNNXBMFYSA-N 1 0 387.615 1.968 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785515327 654919358 /nfs/dbraw/zinc/91/93/58/654919358.db2.gz NVPBCRMYQZTFJI-UHFFFAOYSA-N 1 0 379.324 1.334 20 0 GDADRO CN(C)C(=O)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)[nH]1 ZINC000752262785 654924604 /nfs/dbraw/zinc/92/46/04/654924604.db2.gz WMMQFPYNSVDHOV-UHFFFAOYSA-N 1 0 378.445 1.071 20 0 GDADRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000801514943 654926058 /nfs/dbraw/zinc/92/60/58/654926058.db2.gz PQBPKLXZGATRMJ-CABCVRRESA-N 1 0 375.535 1.599 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801525601 654926939 /nfs/dbraw/zinc/92/69/39/654926939.db2.gz XDNKRXRFINAJIM-ILXRZTDVSA-N 1 0 375.535 1.646 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1CCNS(C)(=O)=O ZINC000730569219 654933895 /nfs/dbraw/zinc/93/38/95/654933895.db2.gz RMDVEOFKFPKZET-HUUCEWRRSA-N 1 0 375.535 1.790 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CCC(S(N)(=O)=O)CC2)C1 ZINC000801936292 654935874 /nfs/dbraw/zinc/93/58/74/654935874.db2.gz RLGLONPBZGYYBF-CQSZACIVSA-N 1 0 375.535 1.777 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000730811955 654937467 /nfs/dbraw/zinc/93/74/67/654937467.db2.gz QCOLLHKCKVSXKZ-UHFFFAOYSA-N 1 0 381.267 1.969 20 0 GDADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)C1 ZINC000802135924 654939016 /nfs/dbraw/zinc/93/90/16/654939016.db2.gz CEGAVHJIGPQHAN-CHWSQXEVSA-N 1 0 376.500 1.067 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C ZINC000753085540 654942255 /nfs/dbraw/zinc/94/22/55/654942255.db2.gz MDSZLCRIRYJYDJ-KBPBESRZSA-N 1 0 375.535 1.505 20 0 GDADRO C[C@]1(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1(Br)Br ZINC000830587723 654950581 /nfs/dbraw/zinc/95/05/81/654950581.db2.gz BHBXAXQULAXMFP-ZYHUDNBSSA-N 1 0 398.139 1.846 20 0 GDADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786943918 654955385 /nfs/dbraw/zinc/95/53/85/654955385.db2.gz MMZINLPYEOCJME-STQMWFEESA-N 1 0 386.279 1.589 20 0 GDADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCC1CS(=O)(=O)C1 ZINC000786946422 654955644 /nfs/dbraw/zinc/95/56/44/654955644.db2.gz AAQYSMYWXMPXLC-HIFRSBDPSA-N 1 0 376.519 1.425 20 0 GDADRO COC(=O)[C@@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)[C@@H]1C ZINC000787244271 654961567 /nfs/dbraw/zinc/96/15/67/654961567.db2.gz YEGROJVXAIJFMV-GHMZBOCLSA-N 1 0 380.242 2.000 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000831021752 654966397 /nfs/dbraw/zinc/96/63/97/654966397.db2.gz KQBKRLOPVMGZLV-CQSZACIVSA-N 1 0 375.535 1.790 20 0 GDADRO Cn1ncc(I)c1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000831068979 654968200 /nfs/dbraw/zinc/96/82/00/654968200.db2.gz LLPZTOMAVYYRGP-UHFFFAOYSA-N 1 0 388.253 1.517 20 0 GDADRO C[C@H]([NH2+][C@@H](CCO)c1cccs1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000754384968 654971235 /nfs/dbraw/zinc/97/12/35/654971235.db2.gz HBDOTOKSWHUMSY-FZMZJTMJSA-N 1 0 383.495 1.436 20 0 GDADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000787920148 654975882 /nfs/dbraw/zinc/97/58/82/654975882.db2.gz VQQCBRUYLVYYGN-UHFFFAOYSA-N 1 0 387.665 1.743 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)c2c(Br)nc3n2CCC3)CC1(C)C ZINC000831243614 654977913 /nfs/dbraw/zinc/97/79/13/654977913.db2.gz RAYFKRUCIQHFLO-UHFFFAOYSA-N 1 0 384.322 1.348 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N(C)CCCC[NH+](C)C)s1 ZINC000788063396 654980456 /nfs/dbraw/zinc/98/04/56/654980456.db2.gz WJTJGJYOXYNCAE-UHFFFAOYSA-N 1 0 377.532 1.609 20 0 GDADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)CCC2 ZINC000788249206 654988284 /nfs/dbraw/zinc/98/82/84/654988284.db2.gz YLKDUOSDOMGXDC-SUMWQHHRSA-N 1 0 382.555 1.499 20 0 GDADRO CCO[C@@H](CNC(=O)Cc1ccc(I)cc1)C[NH+](C)C ZINC000831722765 654994225 /nfs/dbraw/zinc/99/42/25/654994225.db2.gz BMROUXLTMVWEKV-AWEZNQCLSA-N 1 0 390.265 1.917 20 0 GDADRO CCO[C@H](CNC(=O)c1ccccc1I)C[NH+](C)C ZINC000831776620 654996685 /nfs/dbraw/zinc/99/66/85/654996685.db2.gz LKZILOAMMJQUAU-LLVKDONJSA-N 1 0 376.238 1.988 20 0 GDADRO CCO[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)C[NH+](C)C ZINC000831777243 654996929 /nfs/dbraw/zinc/99/69/29/654996929.db2.gz UYELTHHDCATXKW-GXTWGEPZSA-N 1 0 391.921 1.090 20 0 GDADRO O=C(NCc1ccc(Br)cc1F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000804732089 654999757 /nfs/dbraw/zinc/99/97/57/654999757.db2.gz BGAGYWOYGSNAEO-CQSZACIVSA-N 1 0 398.276 1.805 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000804978040 655006584 /nfs/dbraw/zinc/00/65/84/655006584.db2.gz GIKUPKPQDNNLFA-NSHDSACASA-N 1 0 379.324 1.501 20 0 GDADRO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(Br)n1C ZINC000804991640 655007985 /nfs/dbraw/zinc/00/79/85/655007985.db2.gz VYWKMNAFZAWWHY-LLVKDONJSA-N 1 0 377.308 1.254 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1nc(C)n(C)c1Br ZINC000804996762 655008943 /nfs/dbraw/zinc/00/89/43/655008943.db2.gz DREHDQRZQUAMRU-LLVKDONJSA-N 1 0 379.324 1.644 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)C1 ZINC000756176732 655013333 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COC(=O)c1cc(Br)c(S(=O)(=O)N(C)C2CC[NH2+]CC2)s1 ZINC000842690990 655371409 /nfs/dbraw/zinc/37/14/09/655371409.db2.gz IZPFUJCIWDXKOY-UHFFFAOYSA-N 1 0 397.316 1.670 20 0 GDADRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000842692422 655371544 /nfs/dbraw/zinc/37/15/44/655371544.db2.gz DVEGJBWBDHSINC-LLVKDONJSA-N 1 0 375.466 1.724 20 0 GDADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000842705211 655372367 /nfs/dbraw/zinc/37/23/67/655372367.db2.gz JJLCLZPMJLJJAI-SNVBAGLBSA-N 1 0 379.404 1.935 20 0 GDADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000842705665 655372487 /nfs/dbraw/zinc/37/24/87/655372487.db2.gz TWQDINAGLRFOLA-JTQLQIEISA-N 1 0 380.919 1.491 20 0 GDADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842737373 655374505 /nfs/dbraw/zinc/37/45/05/655374505.db2.gz IJKWKBIBRXTRAL-UHFFFAOYSA-N 1 0 382.454 1.573 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)/C=C/c2ccccc2Br)CCO1 ZINC000842744010 655374740 /nfs/dbraw/zinc/37/47/40/655374740.db2.gz NENJYWHAHJSPTK-GSCMRRPUSA-N 1 0 375.288 1.798 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000842763556 655375599 /nfs/dbraw/zinc/37/55/99/655375599.db2.gz NNQIVXVMVCETEJ-CQSZACIVSA-N 1 0 378.903 1.118 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Br)o1 ZINC000818583869 655376665 /nfs/dbraw/zinc/37/66/65/655376665.db2.gz CXNILASAFRGMQP-HWPRWLFBSA-N 1 0 384.274 1.901 20 0 GDADRO COC[C@]1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CCC[NH2+]1 ZINC000818590106 655376902 /nfs/dbraw/zinc/37/69/02/655376902.db2.gz QROJQKBIKWEZDS-MRXNPFEDSA-N 1 0 389.905 1.089 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)C[NH3+])c(Br)cc1Cl ZINC000842787887 655376971 /nfs/dbraw/zinc/37/69/71/655376971.db2.gz VUPMQUWFIFLMIA-SSDOTTSWSA-N 1 0 399.694 1.762 20 0 GDADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cn(-c2ccccc2Br)nn1 ZINC000818603631 655377398 /nfs/dbraw/zinc/37/73/98/655377398.db2.gz GOCMIBQPVPYNIG-CQSZACIVSA-N 1 0 376.258 1.902 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000842793121 655377584 /nfs/dbraw/zinc/37/75/84/655377584.db2.gz ILQIASMDQYLPHV-VHSXEESVSA-N 1 0 391.287 1.594 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cccc(C(F)F)c1 ZINC000842795407 655377635 /nfs/dbraw/zinc/37/76/35/655377635.db2.gz HJEOVUPHKIBHFB-CYBMUJFWSA-N 1 0 375.441 1.632 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000818632922 655377747 /nfs/dbraw/zinc/37/77/47/655377747.db2.gz ODQOTEODAJHSEN-NWDGAFQWSA-N 1 0 379.262 1.845 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(Br)o1 ZINC000842834216 655380316 /nfs/dbraw/zinc/38/03/16/655380316.db2.gz PWVBSZOUKMIMAX-SFYZADRCSA-N 1 0 381.248 1.105 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)s1 ZINC000842836630 655380457 /nfs/dbraw/zinc/38/04/57/655380457.db2.gz UHVJCGSAJUUUAC-HTQZYQBOSA-N 1 0 397.316 1.668 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000842837551 655380598 /nfs/dbraw/zinc/38/05/98/655380598.db2.gz QSEJYHMYPSXPKE-IUCAKERBSA-N 1 0 381.267 1.968 20 0 GDADRO O=c1n(CCC[NH2+]C[C@@H](O)c2ccccc2Br)nc2n1CCCC2 ZINC000818964358 655382318 /nfs/dbraw/zinc/38/23/18/655382318.db2.gz SFCVKURRJMBLLL-OAHLLOKOSA-N 1 0 395.301 1.857 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H]([NH3+])CC)c1 ZINC000842885336 655382687 /nfs/dbraw/zinc/38/26/87/655382687.db2.gz ZXXPLONDNKQDHD-SNVBAGLBSA-N 1 0 379.276 1.641 20 0 GDADRO CS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000818991095 655382849 /nfs/dbraw/zinc/38/28/49/655382849.db2.gz VXSNYKHNNSDIJO-HNNXBMFYSA-N 1 0 391.331 1.744 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000842891252 655383037 /nfs/dbraw/zinc/38/30/37/655383037.db2.gz RLEIJRSGKUOUNS-OCCSQVGLSA-N 1 0 384.889 1.505 20 0 GDADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1ccccc1S(=O)(=O)C(F)F ZINC000842893378 655383203 /nfs/dbraw/zinc/38/32/03/655383203.db2.gz TVCZDKFIQFFZSB-LLVKDONJSA-N 1 0 382.454 1.493 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000842893200 655383220 /nfs/dbraw/zinc/38/32/20/655383220.db2.gz JHWPQTPIUNZAQJ-OCCSQVGLSA-N 1 0 379.404 1.617 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CC[S@](=O)Cc2ccccc2)cc1 ZINC000819041893 655383657 /nfs/dbraw/zinc/38/36/57/655383657.db2.gz IGLUSTXDNWHGBN-UUOWRZLLSA-N 1 0 381.519 1.662 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(F)cc1F)NC[C@H]1CCCCO1 ZINC000819052304 655384099 /nfs/dbraw/zinc/38/40/99/655384099.db2.gz BXZJAGDISYPAOV-CZUORRHYSA-N 1 0 378.441 1.076 20 0 GDADRO Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)c3cccc(Br)c3)C2=O)n(C)n1 ZINC000819119887 655386378 /nfs/dbraw/zinc/38/63/78/655386378.db2.gz FYFODNGQKQDVOE-GJZGRUSLSA-N 1 0 393.285 1.920 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)C(=O)N1c1cnn(C)c1 ZINC000819121865 655386571 /nfs/dbraw/zinc/38/65/71/655386571.db2.gz JZWSFYRBXMZERM-XFBWCDHKSA-N 1 0 393.285 2.000 20 0 GDADRO C[C@](O)(C[NH2+]C[C@@H]1CC[C@@H](C(N)=O)O1)c1ccc(Br)cc1Cl ZINC000819153680 655387019 /nfs/dbraw/zinc/38/70/19/655387019.db2.gz CTNDOVVWGWWUGQ-XEGUGMAKSA-N 1 0 391.693 1.933 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000843074095 655387793 /nfs/dbraw/zinc/38/77/93/655387793.db2.gz BSZWQHYBNSKTOE-KBPBESRZSA-N 1 0 389.290 1.958 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000819187286 655387920 /nfs/dbraw/zinc/38/79/20/655387920.db2.gz GVFGHQKUSZJQNR-RISCZKNCSA-N 1 0 377.304 1.354 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000843077021 655388011 /nfs/dbraw/zinc/38/80/11/655388011.db2.gz PHQIRFBTJLNHKU-CYBMUJFWSA-N 1 0 376.450 1.075 20 0 GDADRO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000819199365 655388032 /nfs/dbraw/zinc/38/80/32/655388032.db2.gz VUKQAVZAZCGJAA-BQDHKBFISA-N 1 0 378.519 1.613 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCCN1CCO ZINC000843104542 655388618 /nfs/dbraw/zinc/38/86/18/655388618.db2.gz KHDDLPAQELBQHW-KBPBESRZSA-N 1 0 375.238 1.195 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000819254250 655388665 /nfs/dbraw/zinc/38/86/65/655388665.db2.gz VCYIPDBBWUURLJ-KBPBESRZSA-N 1 0 376.519 1.352 20 0 GDADRO O=C1NC(=O)C2(CCC([NH2+]C[C@H](O)c3ccccc3Br)CC2)N1 ZINC000819309974 655389584 /nfs/dbraw/zinc/38/95/84/655389584.db2.gz QWPKFITWXFMZRH-QCIACWGRSA-N 1 0 382.258 1.593 20 0 GDADRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1S(N)(=O)=O ZINC000819315155 655389696 /nfs/dbraw/zinc/38/96/96/655389696.db2.gz AZMGACHFQHKRRA-AWEZNQCLSA-N 1 0 388.848 1.958 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819343663 655390249 /nfs/dbraw/zinc/39/02/49/655390249.db2.gz PMXQLLODVJBJOZ-SMDDNHRTSA-N 1 0 397.310 1.713 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C[C@H](C)[NH2+]1 ZINC000843343684 655393077 /nfs/dbraw/zinc/39/30/77/655393077.db2.gz CXQXCKVKSIRPRJ-PHIMTYICSA-N 1 0 380.495 1.121 20 0 GDADRO C[NH2+]CC1CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000843349129 655393401 /nfs/dbraw/zinc/39/34/01/655393401.db2.gz IARLTFPVBWKBKC-UHFFFAOYSA-N 1 0 375.441 1.553 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843364013 655393803 /nfs/dbraw/zinc/39/38/03/655393803.db2.gz KIIMASLFJFBOBI-UHFFFAOYSA-N 1 0 385.917 1.758 20 0 GDADRO Cc1cc(NC(=O)CNC(=O)CO[C@H]2CCC[NH2+]C2)ccc1Br ZINC000843415703 655394637 /nfs/dbraw/zinc/39/46/37/655394637.db2.gz MNARYGVMDXDCTM-ZDUSSCGKSA-N 1 0 384.274 1.581 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1COC(=O)N1 ZINC000819737630 655395020 /nfs/dbraw/zinc/39/50/20/655395020.db2.gz YWPFWBFTKCWRBA-LBPRGKRZSA-N 1 0 385.262 1.494 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843454286 655395176 /nfs/dbraw/zinc/39/51/76/655395176.db2.gz QLRRQCNPHJHOCY-STQMWFEESA-N 1 0 388.921 1.392 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843467928 655395668 /nfs/dbraw/zinc/39/56/68/655395668.db2.gz LVLIZMAHGSRCPH-GFCCVEGCSA-N 1 0 380.495 1.170 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843464388 655395699 /nfs/dbraw/zinc/39/56/99/655395699.db2.gz PMKXZWYGXONCQA-CMPLNLGQSA-N 1 0 380.495 1.026 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)NS(=O)(=O)c1cccnc1Cl ZINC000843482381 655396434 /nfs/dbraw/zinc/39/64/34/655396434.db2.gz UXCDOOWNNVWPIR-AGIUHOORSA-N 1 0 386.905 1.002 20 0 GDADRO COC(=O)c1cc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc(Br)c1F ZINC000843500715 655397082 /nfs/dbraw/zinc/39/70/82/655397082.db2.gz ZSHFVDRSPHBYQR-UHFFFAOYSA-N 1 0 397.204 1.996 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000843513313 655397448 /nfs/dbraw/zinc/39/74/48/655397448.db2.gz AXWWMAPQSSDUNV-OAHLLOKOSA-N 1 0 385.917 1.995 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)c1c(Br)nc3n1CCC3)CCO2 ZINC000844094593 655407009 /nfs/dbraw/zinc/40/70/09/655407009.db2.gz PKZDJDDMWUYMKS-UHFFFAOYSA-N 1 0 383.290 1.529 20 0 GDADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000844198896 655408515 /nfs/dbraw/zinc/40/85/15/655408515.db2.gz RBPQOOXDXPLJPY-SNVBAGLBSA-N 1 0 384.221 1.809 20 0 GDADRO CC(C)C[N@H+](C)CCCNC(=O)c1cnn(C)c1I ZINC000844653603 655412595 /nfs/dbraw/zinc/41/25/95/655412595.db2.gz AWQVNTATLJIZIQ-UHFFFAOYSA-N 1 0 378.258 1.732 20 0 GDADRO C[NH+](C)CCN1CCN(Cn2ncc3c2cccc3Br)CC1=O ZINC000844713401 655413892 /nfs/dbraw/zinc/41/38/92/655413892.db2.gz AVNORSQBSWPUBF-UHFFFAOYSA-N 1 0 380.290 1.462 20 0 GDADRO CCCS(=O)(=O)N1CCC(NC(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000844871301 655418269 /nfs/dbraw/zinc/41/82/69/655418269.db2.gz AGOVBURYYYSCKO-UHFFFAOYSA-N 1 0 376.567 1.468 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccccc1[S@@](=O)C(F)(F)F ZINC000820990284 655420293 /nfs/dbraw/zinc/42/02/93/655420293.db2.gz MQDOYBFMDLTGMG-UOXLDJKESA-N 1 0 378.416 1.891 20 0 GDADRO C[NH+](C)CCN1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1=O ZINC000845631669 655433793 /nfs/dbraw/zinc/43/37/93/655433793.db2.gz RVTCDONRIWGJCO-UHFFFAOYSA-N 1 0 379.404 1.190 20 0 GDADRO Cn1c(Cl)ncc1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000821967356 655437998 /nfs/dbraw/zinc/43/79/98/655437998.db2.gz BBSAVPDGFHQAKV-UHFFFAOYSA-N 1 0 385.877 1.166 20 0 GDADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CSCC(=O)N2)CC1 ZINC000821987979 655438363 /nfs/dbraw/zinc/43/83/63/655438363.db2.gz JBEPPMHLNCXRIP-AWEZNQCLSA-N 1 0 383.901 1.983 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cn1 ZINC000846160414 655448938 /nfs/dbraw/zinc/44/89/38/655448938.db2.gz STTXVHUJQWICPY-UHFFFAOYSA-N 1 0 385.255 1.911 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc(F)c1F ZINC000846230708 655450242 /nfs/dbraw/zinc/45/02/42/655450242.db2.gz HSEVJQPUQRLNCJ-QMTHXVAHSA-N 1 0 376.425 1.889 20 0 GDADRO Brc1cc2c(cc1Cc1noc(C[C@@H]3COCC[NH2+]3)n1)OCO2 ZINC000822946900 655454291 /nfs/dbraw/zinc/45/42/91/655454291.db2.gz JVUAYJNVPBMXDO-SNVBAGLBSA-N 1 0 382.214 1.683 20 0 GDADRO COc1ccc(Cc2noc(C[C@H](C[NH3+])OC)n2)c(Br)c1OC ZINC000822947561 655454308 /nfs/dbraw/zinc/45/43/08/655454308.db2.gz UPWAHJVOQFFKEU-SNVBAGLBSA-N 1 0 386.246 1.956 20 0 GDADRO CN(CC[NH+]1CCCCC1)C(=O)c1cnn(C)c1I ZINC000846613413 655457762 /nfs/dbraw/zinc/45/77/62/655457762.db2.gz DZKMRNKUVABYTH-UHFFFAOYSA-N 1 0 376.242 1.583 20 0 GDADRO C[NH+]1CCC(ONC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC1 ZINC000846648790 655458407 /nfs/dbraw/zinc/45/84/07/655458407.db2.gz WWECVJYJLMYJPO-UHFFFAOYSA-N 1 0 391.287 1.608 20 0 GDADRO COCC(C)(C)[NH+]1CCN(C(=O)c2cc(=O)n(C)cc2Br)CC1 ZINC000823240456 655458951 /nfs/dbraw/zinc/45/89/51/655458951.db2.gz BKUVHEWIYKABDF-UHFFFAOYSA-N 1 0 386.290 1.331 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846737466 655460039 /nfs/dbraw/zinc/46/00/39/655460039.db2.gz ODHQPUSAKXUHSE-IRXDYDNUSA-N 1 0 377.888 1.424 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000846737462 655460043 /nfs/dbraw/zinc/46/00/43/655460043.db2.gz ODHQPUSAKXUHSE-DLBZAZTESA-N 1 0 377.888 1.424 20 0 GDADRO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846808589 655461072 /nfs/dbraw/zinc/46/10/72/655461072.db2.gz YWWGQXVNJIHXBC-YOEHRIQHSA-N 1 0 376.519 1.115 20 0 GDADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000823394959 655462243 /nfs/dbraw/zinc/46/22/43/655462243.db2.gz HBTGUHHJNQLQOE-AWEZNQCLSA-N 1 0 377.551 1.797 20 0 GDADRO C[N@H+](CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCSC1 ZINC000847216365 655466661 /nfs/dbraw/zinc/46/66/61/655466661.db2.gz OPNKHLYGFMTWMI-MNOVXSKESA-N 1 0 385.452 1.996 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cnc(CCC(F)(F)F)s2)CC1=O ZINC000823857732 655469029 /nfs/dbraw/zinc/46/90/29/655469029.db2.gz YKEZKFRECWLLCA-UHFFFAOYSA-N 1 0 378.420 1.484 20 0 GDADRO C[C@@H]1C[C@@H](C[NH2+]CCOCCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823882284 655469189 /nfs/dbraw/zinc/46/91/89/655469189.db2.gz LLNPRTQHYCHWFF-CABCVRRESA-N 1 0 378.535 1.673 20 0 GDADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000824023838 655470516 /nfs/dbraw/zinc/47/05/16/655470516.db2.gz YNTNQJLFNBORRO-CJNGLKHVSA-N 1 0 388.555 1.925 20 0 GDADRO Cn1ncc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c1I ZINC000824096212 655471613 /nfs/dbraw/zinc/47/16/13/655471613.db2.gz YOYKIMOBIWFYQA-VHSXEESVSA-N 1 0 376.242 1.483 20 0 GDADRO O=C(Nc1ccc(Br)nc1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847606915 655473041 /nfs/dbraw/zinc/47/30/41/655473041.db2.gz GSQSOZARQKJHCN-QWHCGFSZSA-N 1 0 381.274 1.916 20 0 GDADRO C[C@@H](CC(=O)N1CC[N@H+](C)C(C)(C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000848032969 655480652 /nfs/dbraw/zinc/48/06/52/655480652.db2.gz HFKZVMUADIBEMB-LBPRGKRZSA-N 1 0 388.921 1.345 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)CCN1C(=O)CCNC1=S)c1ccc(Cl)cc1 ZINC000848049422 655481079 /nfs/dbraw/zinc/48/10/79/655481079.db2.gz FMGDOJKBIHQOEX-CQSZACIVSA-N 1 0 382.917 1.556 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000825179236 655485269 /nfs/dbraw/zinc/48/52/69/655485269.db2.gz RPZUQISXOAJNAM-OAHLLOKOSA-N 1 0 385.917 1.998 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848352030 655488235 /nfs/dbraw/zinc/48/82/35/655488235.db2.gz KCUZAIZSPLJIOZ-ZIAGYGMSSA-N 1 0 389.880 1.873 20 0 GDADRO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848398697 655489095 /nfs/dbraw/zinc/48/90/95/655489095.db2.gz CQBNDMHXEJBRKS-JSGCOSHPSA-N 1 0 383.436 1.054 20 0 GDADRO [NH3+]C[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C(F)(F)F ZINC000848438883 655490138 /nfs/dbraw/zinc/49/01/38/655490138.db2.gz JSMDTUSPBFIMSY-CYBMUJFWSA-N 1 0 376.356 1.873 20 0 GDADRO [NH3+]C[C@@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C(F)(F)F ZINC000848439806 655490292 /nfs/dbraw/zinc/49/02/92/655490292.db2.gz ZLFPVCHDMQPYPF-LLVKDONJSA-N 1 0 385.795 1.499 20 0 GDADRO CCOCC[NH+]1CCN(c2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000825598801 655491891 /nfs/dbraw/zinc/49/18/91/655491891.db2.gz CEPZBIBQZJVRDW-UHFFFAOYSA-N 1 0 381.278 1.788 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000825598007 655491898 /nfs/dbraw/zinc/49/18/98/655491898.db2.gz XNXOXWCCILDJKV-LLVKDONJSA-N 1 0 390.303 1.263 20 0 GDADRO COC(=O)c1ccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c(Br)c1 ZINC000848597879 655497237 /nfs/dbraw/zinc/49/72/37/655497237.db2.gz DWQWUWDJCSGLRK-SNVBAGLBSA-N 1 0 398.179 1.925 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000848614062 655497514 /nfs/dbraw/zinc/49/75/14/655497514.db2.gz OEMIWEBWGGXRNI-KRWDZBQOSA-N 1 0 380.286 1.728 20 0 GDADRO O=C(N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000826565466 655498840 /nfs/dbraw/zinc/49/88/40/655498840.db2.gz XHCQKLADBVTPHG-CQSZACIVSA-N 1 0 383.290 1.192 20 0 GDADRO O=C(c1cnn2cccc(Br)c12)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000826564384 655498847 /nfs/dbraw/zinc/49/88/47/655498847.db2.gz OVYAQHUZJVVYNY-CYBMUJFWSA-N 1 0 393.285 1.768 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1csc(I)n1 ZINC000826868320 655502275 /nfs/dbraw/zinc/50/22/75/655502275.db2.gz QNRZYAZIHDPPBI-SECBINFHSA-N 1 0 377.251 1.962 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CC[C@@H]21 ZINC000827374121 655510102 /nfs/dbraw/zinc/51/01/02/655510102.db2.gz MEENZSPYACAIKN-ZFWWWQNUSA-N 1 0 380.286 1.732 20 0 GDADRO [NH2+]=C(NCCCN1CCOCC1)NC[C@H](O)c1cccc(Br)c1 ZINC000848987261 655517053 /nfs/dbraw/zinc/51/70/53/655517053.db2.gz VWBPLDIYTCZCPN-HNNXBMFYSA-N 1 0 385.306 1.319 20 0 GDADRO CCOCCCNC(=[NH2+])NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000849052595 655517204 /nfs/dbraw/zinc/51/72/04/655517204.db2.gz JLXWRHAVIGZGEM-UHFFFAOYSA-N 1 0 376.910 1.467 20 0 GDADRO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2n[nH]cc2Br)CC1 ZINC000849099119 655517265 /nfs/dbraw/zinc/51/72/65/655517265.db2.gz KYTDECJHIZEQGC-UHFFFAOYSA-N 1 0 387.282 1.749 20 0 GDADRO [NH2+]=C(NCCCN1CCOCC1)NC[C@@H](O)c1ccccc1Br ZINC000849115888 655517472 /nfs/dbraw/zinc/51/74/72/655517472.db2.gz DPHBDPUZUGNUTC-OAHLLOKOSA-N 1 0 385.306 1.319 20 0 GDADRO C[NH+]1CCN(CCn2cc([C@@](C)(O)c3ccccc3Br)nn2)CC1 ZINC000849137152 655517533 /nfs/dbraw/zinc/51/75/33/655517533.db2.gz NYSGEAARLISBAE-KRWDZBQOSA-N 1 0 394.317 1.544 20 0 GDADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC000828083772 655519079 /nfs/dbraw/zinc/51/90/79/655519079.db2.gz ZSMWXOMRTOGZQL-LLVKDONJSA-N 1 0 387.889 1.283 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(Br)o1)CCO2 ZINC000828252628 655520098 /nfs/dbraw/zinc/52/00/98/655520098.db2.gz ZBVKFUDWJCAJQG-UHFFFAOYSA-N 1 0 379.276 1.527 20 0 GDADRO Cc1nc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)n1C ZINC000849411235 655529201 /nfs/dbraw/zinc/52/92/01/655529201.db2.gz BUWJUGSJOONELF-LLVKDONJSA-N 1 0 393.351 1.890 20 0 GDADRO Cn1c(Cl)ncc1S(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000849427402 655533378 /nfs/dbraw/zinc/53/33/78/655533378.db2.gz MHEOBJORLMHVFS-CQSZACIVSA-N 1 0 384.889 1.119 20 0 GDADRO Cn1cnc(S(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c1Cl ZINC000849436361 655534988 /nfs/dbraw/zinc/53/49/88/655534988.db2.gz AOQFPTWHXNNIHQ-UHFFFAOYSA-N 1 0 383.905 1.659 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000849468061 655540896 /nfs/dbraw/zinc/54/08/96/655540896.db2.gz CYCVXBJFOIYRME-GFCCVEGCSA-N 1 0 389.905 1.920 20 0 GDADRO OCCO[C@]1(C[NH2+]Cc2ccccc2I)CCOC1 ZINC000850357681 655552884 /nfs/dbraw/zinc/55/28/84/655552884.db2.gz RKBOFOFSEUDNCR-AWEZNQCLSA-N 1 0 377.222 1.549 20 0 GDADRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850482835 655556437 /nfs/dbraw/zinc/55/64/37/655556437.db2.gz SCPHOEYVSLYQBV-GXTWGEPZSA-N 1 0 390.527 1.630 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)n1 ZINC000850823640 655568891 /nfs/dbraw/zinc/56/88/91/655568891.db2.gz LGGNZSYZLUUQEK-VIFPVBQESA-N 1 0 382.877 1.394 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CCO1 ZINC000851884851 655602457 /nfs/dbraw/zinc/60/24/57/655602457.db2.gz GJHNIMGISXHYGQ-NSHDSACASA-N 1 0 392.934 1.781 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(O)(c2scnc2Br)CC1 ZINC000852006133 655605691 /nfs/dbraw/zinc/60/56/91/655605691.db2.gz GASXYJXQYKYGBY-GFCCVEGCSA-N 1 0 392.363 1.890 20 0 GDADRO CC(C)S(=O)(=O)CC[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000852451291 655614334 /nfs/dbraw/zinc/61/43/34/655614334.db2.gz HAZQSOOHNQICJX-ZDUSSCGKSA-N 1 0 378.416 1.919 20 0 GDADRO C[NH+](C)CCc1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1 ZINC000852459125 655615236 /nfs/dbraw/zinc/61/52/36/655615236.db2.gz QUFJWGHMYZOEFH-VWLOTQADSA-N 1 0 379.448 1.901 20 0 GDADRO Ic1cnnn1C1CCN(CC[NH+]2CCCC2)CC1 ZINC000852532764 655617432 /nfs/dbraw/zinc/61/74/32/655617432.db2.gz OYGDKXKPSQDMEF-UHFFFAOYSA-N 1 0 375.258 1.615 20 0 GDADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC000852787108 655622566 /nfs/dbraw/zinc/62/25/66/655622566.db2.gz ONZOURNIFXXZPG-OAHLLOKOSA-N 1 0 396.285 1.615 20 0 GDADRO Cc1cc(NC(=O)C2=NO[C@@H](C[NH3+])C2)n(-c2cccc(Br)c2)n1 ZINC000852814673 655623401 /nfs/dbraw/zinc/62/34/01/655623401.db2.gz NPTGRXHWSNVCIE-GFCCVEGCSA-N 1 0 378.230 1.985 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)c3cnn(C(C)(C)C)c3Br)C[C@H]2[NH3+])cn1 ZINC000852835858 655623849 /nfs/dbraw/zinc/62/38/49/655623849.db2.gz MJBGDUNCTRLTQZ-QWHCGFSZSA-N 1 0 395.305 1.701 20 0 GDADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1-n1cnnn1 ZINC000852832122 655623866 /nfs/dbraw/zinc/62/38/66/655623866.db2.gz FNATURAWTDWYNW-NSHDSACASA-N 1 0 387.188 1.152 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C=C2CC[NH2+]CC2)s1 ZINC000852835890 655623868 /nfs/dbraw/zinc/62/38/68/655623868.db2.gz NTUFDKFEKYNVEI-UHFFFAOYSA-N 1 0 385.555 1.747 20 0 GDADRO O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1cc2c(s1)CC[NH2+]C2 ZINC000852837130 655624015 /nfs/dbraw/zinc/62/40/15/655624015.db2.gz QJCOIDMKNMQICY-SNVBAGLBSA-N 1 0 375.416 1.925 20 0 GDADRO O=C(NCCc1ccc(I)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000852865012 655624627 /nfs/dbraw/zinc/62/46/27/655624627.db2.gz PFHJUVUZXYUWLS-UHFFFAOYSA-N 1 0 396.232 1.633 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)c1cnn(-c2ccccc2)c1I ZINC000852881557 655625096 /nfs/dbraw/zinc/62/50/96/655625096.db2.gz MMXXYZMXWHKDCK-SNVBAGLBSA-N 1 0 384.221 1.944 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000852880964 655625115 /nfs/dbraw/zinc/62/51/15/655625115.db2.gz PLEDNQJQQURMRA-JTQLQIEISA-N 1 0 392.200 1.503 20 0 GDADRO COC(=O)[C@@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000852907050 655627456 /nfs/dbraw/zinc/62/74/56/655627456.db2.gz BXPYSUYMCAITBB-NHYWBVRUSA-N 1 0 385.258 1.548 20 0 GDADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(n2nncc2I)CC1 ZINC000852908615 655627558 /nfs/dbraw/zinc/62/75/58/655627558.db2.gz NKIVZJPURWMCKE-LLVKDONJSA-N 1 0 391.257 1.420 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])NS(=O)(=O)c1cccnc1Cl ZINC000852912162 655628149 /nfs/dbraw/zinc/62/81/49/655628149.db2.gz NQLQFRJNIPUHFP-AGIUHOORSA-N 1 0 388.921 1.378 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)C2 ZINC000852925587 655628568 /nfs/dbraw/zinc/62/85/68/655628568.db2.gz LIEJMCHQZMLWLK-LBPRGKRZSA-N 1 0 380.286 1.797 20 0 GDADRO C[C@@]1(NC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC[NH2+]C1 ZINC000853314687 655638190 /nfs/dbraw/zinc/63/81/90/655638190.db2.gz NTQACKBDJSSHIT-OAHLLOKOSA-N 1 0 375.878 1.637 20 0 GDADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC[S@@](=O)CC(F)(F)F ZINC000853466498 655640176 /nfs/dbraw/zinc/64/01/76/655640176.db2.gz DRHPFOPINXWKJC-HWRSSNJWSA-N 1 0 379.448 1.770 20 0 GDADRO CC(C)(C)n1ncc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1Br ZINC000854742801 655675651 /nfs/dbraw/zinc/67/56/51/655675651.db2.gz GOXUVJBQRWFVBC-GFCCVEGCSA-N 1 0 387.322 1.977 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)c1ccc(Br)s1 ZINC000855696572 655699599 /nfs/dbraw/zinc/69/95/99/655699599.db2.gz BXLWDURKIRNPIM-UHFFFAOYSA-N 1 0 390.303 1.172 20 0 GDADRO COc1ccc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)nc1I ZINC000856490039 655714069 /nfs/dbraw/zinc/71/40/69/655714069.db2.gz UIPIFGFIYGXWDB-NSHDSACASA-N 1 0 389.237 1.765 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000856757783 655717462 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CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(Br)cnc2F)CC1 ZINC000859361926 655778652 /nfs/dbraw/zinc/77/86/52/655778652.db2.gz TXSHEFMTJDUIGK-GFCCVEGCSA-N 1 0 387.297 1.987 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000859379550 655779752 /nfs/dbraw/zinc/77/97/52/655779752.db2.gz MTSKBDJKHOAVGQ-LLVKDONJSA-N 1 0 379.258 1.933 20 0 GDADRO C[NH2+]CCOCCNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000859659802 655788430 /nfs/dbraw/zinc/78/84/30/655788430.db2.gz JYKBIGYQHVCMID-UHFFFAOYSA-N 1 0 396.083 1.964 20 0 GDADRO CS[C@@H]1CN(C(=O)/C=C/c2ccc(S(C)(=O)=O)o2)C[C@H]1[NH+]1CCCC1 ZINC000860786701 655808054 /nfs/dbraw/zinc/80/80/54/655808054.db2.gz FKAADIMELLYKIH-IPKOWEFYSA-N 1 0 384.523 1.735 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OC[C@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC000861348402 655819806 /nfs/dbraw/zinc/81/98/06/655819806.db2.gz TWAYSRUBEQCNAF-INMHGKMJSA-N 1 0 376.519 1.233 20 0 GDADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(I)cn2)C1 ZINC000861352732 655820246 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C[C@]1(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1(Br)Br ZINC000861714378 655828947 /nfs/dbraw/zinc/82/89/47/655828947.db2.gz ACLDBQPLQSDZSM-CKYFFXLPSA-N 1 0 396.123 1.550 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861750968 655829903 /nfs/dbraw/zinc/82/99/03/655829903.db2.gz NJNPGDQJCSWKLA-UHFFFAOYSA-N 1 0 379.404 1.931 20 0 GDADRO O=C(c1c(Br)nc2n1CCC2)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861986001 655835590 /nfs/dbraw/zinc/83/55/90/655835590.db2.gz GZZXTUZWGYYPEW-UHFFFAOYSA-N 1 0 397.317 1.919 20 0 GDADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862413873 655846105 /nfs/dbraw/zinc/84/61/05/655846105.db2.gz FJAJPLQWQIXSLX-LXTVHRRPSA-N 1 0 376.519 1.566 20 0 GDADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000863570990 655875995 /nfs/dbraw/zinc/87/59/95/655875995.db2.gz OHCWFHRABIECRC-FUHWJXTLSA-N 1 0 399.329 1.688 20 0 GDADRO C[C@@](O)(C[NH2+]CCN1CC[C@H](O)C1)c1ccc(Br)cc1Cl ZINC000863590800 655876815 /nfs/dbraw/zinc/87/68/15/655876815.db2.gz PAUZQEUWHYJNMB-SWLSCSKDSA-N 1 0 377.710 1.966 20 0 GDADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NCC[N@H+]1CC[C@H](O)C1 ZINC000863829315 655882671 /nfs/dbraw/zinc/88/26/71/655882671.db2.gz GLXSSWPCOHECFX-ZDUSSCGKSA-N 1 0 381.889 1.070 20 0 GDADRO C[NH2+]C1(CNC(=O)c2cccn3c(I)cnc23)CCC1 ZINC000863922691 655883652 /nfs/dbraw/zinc/88/36/52/655883652.db2.gz YMADLLALRPNWLE-UHFFFAOYSA-N 1 0 384.221 1.811 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000864054353 655888282 /nfs/dbraw/zinc/88/82/82/655888282.db2.gz RGBJHAAZSHHSDP-LLVKDONJSA-N 1 0 391.253 1.700 20 0 GDADRO CC(C)n1ncc(C(=O)NCC[N@H+](C)C2CC2)c1I ZINC000865004183 655909927 /nfs/dbraw/zinc/90/99/27/655909927.db2.gz VHYHEMYCIJBAIA-UHFFFAOYSA-N 1 0 376.242 1.893 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)c2nccn2c1 ZINC000865061408 655911178 /nfs/dbraw/zinc/91/11/78/655911178.db2.gz ZBWJKKDAMIOMAI-QWHCGFSZSA-N 1 0 379.258 1.690 20 0 GDADRO C[C@@H](CNC(=S)NCC1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000865264303 655915664 /nfs/dbraw/zinc/91/56/64/655915664.db2.gz FLXPSODUOYERAG-AWEZNQCLSA-N 1 0 383.583 2.000 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=S)NCCS(C)(=O)=O)cc2F)CC1 ZINC000865272385 655915980 /nfs/dbraw/zinc/91/59/80/655915980.db2.gz PRPHXKOXQCULKV-UHFFFAOYSA-N 1 0 388.534 1.299 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000865481102 655920446 /nfs/dbraw/zinc/92/04/46/655920446.db2.gz LLTCGWYHXCPHAM-ZBEGNZNMSA-N 1 0 397.273 1.663 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(Br)cc1S(N)(=O)=O ZINC000865523809 655921346 /nfs/dbraw/zinc/92/13/46/655921346.db2.gz FTKARNNJZIVASP-NSHDSACASA-N 1 0 391.335 1.144 20 0 GDADRO C[NH+](C)[C@@]1(CNc2ccc(Br)cc2S(N)(=O)=O)CCSC1 ZINC000865582913 655922333 /nfs/dbraw/zinc/92/23/33/655922333.db2.gz OKWQACMRXLVAEE-CYBMUJFWSA-N 1 0 394.360 1.946 20 0 GDADRO CC(=O)NCC1CCC([NH2+]CCNC(=O)c2ccc(Br)cn2)CC1 ZINC000865622349 655923069 /nfs/dbraw/zinc/92/30/69/655923069.db2.gz SZMIZNBTRIGVBX-UHFFFAOYSA-N 1 0 397.317 1.858 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865691631 655924355 /nfs/dbraw/zinc/92/43/55/655924355.db2.gz CUQYERZEFFZWKD-DEQOCZATSA-N 1 0 385.917 1.718 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(I)nn1C ZINC000865701272 655924498 /nfs/dbraw/zinc/92/44/98/655924498.db2.gz JJBWKNBUUQFGAZ-SNVBAGLBSA-N 1 0 376.242 1.629 20 0 GDADRO O=C1OC[C@]2(C[NH2+]Cc3cc4c(c(Br)c3)OCO4)COCCN12 ZINC000865768152 655926117 /nfs/dbraw/zinc/92/61/17/655926117.db2.gz XPWWURYBMXACRF-HNNXBMFYSA-N 1 0 385.214 1.489 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000865815906 655927686 /nfs/dbraw/zinc/92/76/86/655927686.db2.gz QUJZFYJIDYDLRA-UHFFFAOYSA-N 1 0 378.274 1.998 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Br)cn2ccnc12)N1CC[NH+](C)CC1 ZINC000865817062 655927690 /nfs/dbraw/zinc/92/76/90/655927690.db2.gz XSGUULVZEGEXMQ-LBPRGKRZSA-N 1 0 380.290 1.463 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 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377.388 1.512 20 0 GDADRO CN(C(=O)C(=O)NCc1ccc(Br)cn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000867442922 656061961 /nfs/dbraw/zinc/06/19/61/656061961.db2.gz OKNINAMLGAEYEI-CQSZACIVSA-N 1 0 381.274 1.155 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC3(CC2)CC[NH+](C)CC3)c(C(F)(F)F)n1 ZINC000867619125 656094606 /nfs/dbraw/zinc/09/46/06/656094606.db2.gz QPBKGQDZRQICJJ-UHFFFAOYSA-N 1 0 380.436 1.935 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867800171 656118229 /nfs/dbraw/zinc/11/82/29/656118229.db2.gz VPFDUVVYGQEJOD-HOCLYGCPSA-N 1 0 394.313 1.926 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3cc(F)ccc3Cl)CC2)CC1 ZINC000867817924 656121363 /nfs/dbraw/zinc/12/13/63/656121363.db2.gz XBLMYDCGPKUYJZ-UHFFFAOYSA-N 1 0 375.897 1.880 20 0 GDADRO CC(C)n1ncc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1I ZINC000867874054 656128136 /nfs/dbraw/zinc/12/81/36/656128136.db2.gz WZHFAFZNTBEEBX-PHIMTYICSA-N 1 0 388.253 1.702 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)c2cc(Br)cn3ccnc23)CC1(C)C ZINC000868055191 656138814 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Cc1cc(I)cc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000868303854 656149955 /nfs/dbraw/zinc/14/99/55/656149955.db2.gz QZNQLCPINOILCQ-JGZJWPJOSA-N 1 0 387.221 1.392 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000868345477 656151461 /nfs/dbraw/zinc/15/14/61/656151461.db2.gz JIJAAYZIHNDIRU-MRVPVSSYSA-N 1 0 385.180 2.000 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000868385200 656153129 /nfs/dbraw/zinc/15/31/29/656153129.db2.gz MHYVOJRTLNBLCA-NSHDSACASA-N 1 0 386.265 1.744 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](COC)c2cccc(Br)c2)C1 ZINC000868387763 656153537 /nfs/dbraw/zinc/15/35/37/656153537.db2.gz SOKSOTBESFIWSQ-KGLIPLIRSA-N 1 0 384.274 1.073 20 0 GDADRO Cn1nc(I)cc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000868822413 656170651 /nfs/dbraw/zinc/17/06/51/656170651.db2.gz FWHZTLAVNHGRFC-UHFFFAOYSA-N 1 0 376.242 1.629 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ncc(Br)s1 ZINC000869196328 656185335 /nfs/dbraw/zinc/18/53/35/656185335.db2.gz 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ZINC000869777013 656207270 /nfs/dbraw/zinc/20/72/70/656207270.db2.gz FFHJEJUPJRURLR-DZGCQCFKSA-N 1 0 383.286 1.714 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000869781448 656207707 /nfs/dbraw/zinc/20/77/07/656207707.db2.gz DJRBCZIGHUWTDD-NSHDSACASA-N 1 0 381.274 1.900 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000869785797 656207873 /nfs/dbraw/zinc/20/78/73/656207873.db2.gz FHXSYLVZTYRIPF-LBPRGKRZSA-N 1 0 388.295 1.685 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)c(C)s1 ZINC000870874630 656251351 /nfs/dbraw/zinc/25/13/51/656251351.db2.gz GZYUSWDHMLHUFL-KEYYUXOJSA-N 1 0 383.539 1.325 20 0 GDADRO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000870915030 656255289 /nfs/dbraw/zinc/25/52/89/656255289.db2.gz YRUFIBSMXWUSMS-XOYOTBSWSA-N 1 0 390.325 1.841 20 0 GDADRO Cc1nccc(N2CCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2)n1 ZINC000870927353 656255887 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CN(C(=O)COC1CC[NH+](C)CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000935225965 657415349 /nfs/dbraw/zinc/41/53/49/657415349.db2.gz MLVVVHGGSQOWNR-MRXNPFEDSA-N 1 0 398.301 1.545 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(C)c(Br)c2)CC1 ZINC000885096075 657418055 /nfs/dbraw/zinc/41/80/55/657418055.db2.gz FNVCMDFUKFEMKC-UHFFFAOYSA-N 1 0 382.302 1.832 20 0 GDADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NCc2ncc(Cl)s2)CC1 ZINC000885108651 657421305 /nfs/dbraw/zinc/42/13/05/657421305.db2.gz SFRZUHHKNAERLM-FZMZJTMJSA-N 1 0 386.905 1.158 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C(=O)NCc3cscc3Cl)C2)C1 ZINC000885235480 657431806 /nfs/dbraw/zinc/43/18/06/657431806.db2.gz MOYAFKSDMYDXDR-NJZAAPMLSA-N 1 0 385.917 1.763 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@H](C)c1ccc(I)cc1 ZINC000935431865 657432847 /nfs/dbraw/zinc/43/28/47/657432847.db2.gz QJLTYAGMCGFHJF-GFCCVEGCSA-N 1 0 390.265 1.825 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cnn2cccc(Br)c12 ZINC000935444890 657434160 /nfs/dbraw/zinc/43/41/60/657434160.db2.gz FQDKESOZKYMEEP-CYBMUJFWSA-N 1 0 394.317 1.853 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000935678375 657466479 /nfs/dbraw/zinc/46/64/79/657466479.db2.gz AYRKXXOQOGWSGO-INIZCTEOSA-N 1 0 385.306 1.891 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)cn2ncnc12 ZINC000935779034 657484687 /nfs/dbraw/zinc/48/46/87/657484687.db2.gz AGXONSKUHYRREZ-GFCCVEGCSA-N 1 0 384.278 1.314 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(I)c[nH]1 ZINC000885868755 657581021 /nfs/dbraw/zinc/58/10/21/657581021.db2.gz MOMMSDBQHIEFBK-GFCCVEGCSA-N 1 0 389.237 1.602 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccc(Cl)s3)[C@@H](O)C2)CC[N@@H+]1C ZINC000970720961 657589469 /nfs/dbraw/zinc/58/94/69/657589469.db2.gz WAPVPMXZDJHDFM-LOWDOPEQSA-N 1 0 385.917 1.433 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCn2ncc(I)c2C1 ZINC000886197124 657606084 /nfs/dbraw/zinc/60/60/84/657606084.db2.gz MRYDAEZISDTEFP-LLVKDONJSA-N 1 0 388.253 1.703 20 0 GDADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCn2ncc(I)c2C1 ZINC000886198336 657610084 /nfs/dbraw/zinc/61/00/84/657610084.db2.gz GKGPFWOTRMEFJT-GFCCVEGCSA-N 1 0 386.237 1.457 20 0 GDADRO Cn1ccn2c(CC[NH2+]Cc3c(F)ccc(Br)c3F)nnc2c1=O ZINC000886282289 657634965 /nfs/dbraw/zinc/63/49/65/657634965.db2.gz DOPCATKWSWALPH-UHFFFAOYSA-N 1 0 398.211 1.801 20 0 GDADRO COC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000886854704 657710811 /nfs/dbraw/zinc/71/08/11/657710811.db2.gz YPWYBECBCVFLRQ-QWHCGFSZSA-N 1 0 391.237 1.758 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1Br ZINC000886883572 657715987 /nfs/dbraw/zinc/71/59/87/657715987.db2.gz GOEYUZBBOXIZJE-CYBMUJFWSA-N 1 0 393.303 1.490 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@H+](CCNS(C)(=O)=O)C2 ZINC000886887985 657718151 /nfs/dbraw/zinc/71/81/51/657718151.db2.gz NPDBFAPKLIJBPT-QGZVFWFLSA-N 1 0 375.535 1.649 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000886890215 657719110 /nfs/dbraw/zinc/71/91/10/657719110.db2.gz AERNTEAASOXGBY-LBPRGKRZSA-N 1 0 391.287 1.608 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 ZINC000886890885 657719825 /nfs/dbraw/zinc/71/98/25/657719825.db2.gz XLFJELQFMKCLLI-JTQLQIEISA-N 1 0 391.287 1.608 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(CC)[C@H]2CC[NH2+]C2)c1 ZINC000886891789 657720322 /nfs/dbraw/zinc/72/03/22/657720322.db2.gz HBMIYRWGDADRHG-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO CCCOC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886896422 657722722 /nfs/dbraw/zinc/72/27/22/657722722.db2.gz IYGPDNUNALJQDQ-ZDUSSCGKSA-N 1 0 376.425 1.777 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1C ZINC000886897676 657723923 /nfs/dbraw/zinc/72/39/23/657723923.db2.gz FJCOUOBGYGVXLX-LBPRGKRZSA-N 1 0 376.425 1.695 20 0 GDADRO O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886973901 657730318 /nfs/dbraw/zinc/73/03/18/657730318.db2.gz GVZFKRIPABDRHI-MRXNPFEDSA-N 1 0 384.527 1.612 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2scnc2Cl)C1 ZINC001006296692 657731846 /nfs/dbraw/zinc/73/18/46/657731846.db2.gz ZDIADRNZXQTYDS-LPWJVIDDSA-N 1 0 382.917 2.000 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)cc1Br ZINC000887003891 657735329 /nfs/dbraw/zinc/73/53/29/657735329.db2.gz DGRZKMXSDUGVOV-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)Nc1cccc(Br)c1 ZINC000887032068 657739723 /nfs/dbraw/zinc/73/97/23/657739723.db2.gz KOYNOJYLYYTYEN-VIFPVBQESA-N 1 0 376.201 1.749 20 0 GDADRO Cn1ncc(NC(=O)C2C[NH+](C3CCOCC3)C2)c1I ZINC000887064057 657744649 /nfs/dbraw/zinc/74/46/49/657744649.db2.gz YLUQPYHLMSKDSF-UHFFFAOYSA-N 1 0 390.225 1.074 20 0 GDADRO Cn1ncc(NC(=O)c2ccnn2CC[NH+](C)C)c1I ZINC000887065963 657746848 /nfs/dbraw/zinc/74/68/48/657746848.db2.gz ZQKZWKFGYWTNKJ-UHFFFAOYSA-N 1 0 388.213 1.035 20 0 GDADRO O=C(NCC1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001031871441 657755811 /nfs/dbraw/zinc/75/58/11/657755811.db2.gz AQNHEUGJPYONIQ-LJISPDSOSA-N 1 0 377.312 1.670 20 0 GDADRO C[NH+]1CCN(CCn2cc(-c3csc(NCC(F)(F)F)n3)nn2)CC1 ZINC000887409491 657781040 /nfs/dbraw/zinc/78/10/40/657781040.db2.gz LDZITAHJHBLBPI-UHFFFAOYSA-N 1 0 375.424 1.623 20 0 GDADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3ccc(I)cc3)nn2)C1 ZINC000887419515 657781083 /nfs/dbraw/zinc/78/10/83/657781083.db2.gz RONXTJQFNYXXFC-CQSZACIVSA-N 1 0 397.264 1.854 20 0 GDADRO [NH3+][C@@H]1CCCN(Cc2cn(C[C@H](O)c3ccc(F)c(Br)c3)nn2)C1 ZINC000887451244 657784107 /nfs/dbraw/zinc/78/41/07/657784107.db2.gz JYSPGKTUBPIXCA-WBMJQRKESA-N 1 0 398.280 1.836 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)Nc2nc3ccc(Cl)nc3s2)CC[N@H+](C)C1 ZINC000888793330 657937462 /nfs/dbraw/zinc/93/74/62/657937462.db2.gz HZUWZUVYMATAKI-SECBINFHSA-N 1 0 383.861 1.913 20 0 GDADRO CN1CCN(C(=O)[C@@]2(C)CC2(Br)Br)CC[N@H+](C)CC1 ZINC000888980787 657963595 /nfs/dbraw/zinc/96/35/95/657963595.db2.gz PQLYWCSCVNNYKD-GFCCVEGCSA-N 1 0 397.155 1.588 20 0 GDADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888990865 657965796 /nfs/dbraw/zinc/96/57/96/657965796.db2.gz HEFTXYRKAJDTQR-CQSZACIVSA-N 1 0 384.318 1.922 20 0 GDADRO CN1CCN(C(=O)COc2ccc(F)cc2Br)CC[N@H+](C)CC1 ZINC000888998343 657966489 /nfs/dbraw/zinc/96/64/89/657966489.db2.gz WDYRQXCFULEQIE-UHFFFAOYSA-N 1 0 388.281 1.673 20 0 GDADRO O=C(NCc1ncc(Br)cn1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000889717363 658021103 /nfs/dbraw/zinc/02/11/03/658021103.db2.gz DBPZTBVZKCTMLA-KRWDZBQOSA-N 1 0 391.269 1.492 20 0 GDADRO O=C(c1cnn2cccc(Br)c12)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889738733 658024114 /nfs/dbraw/zinc/02/41/14/658024114.db2.gz BMSWQMSYMWTMBA-LSDHHAIUSA-N 1 0 393.285 1.768 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889749049 658029320 /nfs/dbraw/zinc/02/93/20/658029320.db2.gz JAVKTTWQPONMCG-CHWSQXEVSA-N 1 0 384.274 1.529 20 0 GDADRO O=C(c1c(Br)nc2n1CCC2)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889752636 658029926 /nfs/dbraw/zinc/02/99/26/658029926.db2.gz WRMVKHWRTMUPEO-RYUDHWBXSA-N 1 0 383.290 1.263 20 0 GDADRO O=C(c1cnn2cc(Br)cnc12)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889764566 658035103 /nfs/dbraw/zinc/03/51/03/658035103.db2.gz XVDASVGJXMUOQT-KBPBESRZSA-N 1 0 394.273 1.163 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1nn2c(c1Br)CCC2 ZINC000890009263 658072914 /nfs/dbraw/zinc/07/29/14/658072914.db2.gz JLHSZBQFPGABJH-LBPRGKRZSA-N 1 0 384.322 1.348 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)N[C@](C)(CO)c2cccc(Br)c2)n1 ZINC000890629641 658130690 /nfs/dbraw/zinc/13/06/90/658130690.db2.gz DVRZRLODUARLMH-QGZVFWFLSA-N 1 0 395.301 1.845 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@](C)(CO)c2cccc(Br)c2)C1 ZINC000890630944 658132846 /nfs/dbraw/zinc/13/28/46/658132846.db2.gz XITTWMJGLUOGOR-QGZVFWFLSA-N 1 0 384.318 1.266 20 0 GDADRO C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000891002046 658176891 /nfs/dbraw/zinc/17/68/91/658176891.db2.gz DYXXWTZEVYVTQS-NSHDSACASA-N 1 0 381.889 1.967 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3nn4c(c3Br)CCC4)[C@H]2C1 ZINC000891178954 658200652 /nfs/dbraw/zinc/20/06/52/658200652.db2.gz UFMGUIYTKZLGHH-QWHCGFSZSA-N 1 0 383.290 1.527 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](CO)c1ccccc1I ZINC000891327433 658228307 /nfs/dbraw/zinc/22/83/07/658228307.db2.gz XIUPPFFVWLMNGD-KGLIPLIRSA-N 1 0 388.249 1.925 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000891593813 658253282 /nfs/dbraw/zinc/25/32/82/658253282.db2.gz MPNNVDURGPXAKW-CABZTGNLSA-N 1 0 379.262 1.865 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000891593815 658253949 /nfs/dbraw/zinc/25/39/49/658253949.db2.gz MPNNVDURGPXAKW-SKDRFNHKSA-N 1 0 379.262 1.865 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c(C)s1 ZINC000891698299 658266518 /nfs/dbraw/zinc/26/65/18/658266518.db2.gz ZKPPYQDFVLVQBN-GOEBONIOSA-N 1 0 386.543 1.227 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(c2ncc(Br)c3cccnc32)CC1 ZINC000891763684 658270706 /nfs/dbraw/zinc/27/07/06/658270706.db2.gz DEXZUVIVVXXHRA-UHFFFAOYSA-N 1 0 378.274 1.603 20 0 GDADRO Cc1ncc(I)c(NCCC[NH+]2CCC(O)CC2)n1 ZINC000891904673 658281149 /nfs/dbraw/zinc/28/11/49/658281149.db2.gz KGNUARIHKPZWTE-UHFFFAOYSA-N 1 0 376.242 1.648 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@@H]1CCNC1=O ZINC000891985636 658288982 /nfs/dbraw/zinc/28/89/82/658288982.db2.gz IESCDTVIPGFVJI-LBPRGKRZSA-N 1 0 397.317 1.912 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cs1)C(N)=O ZINC000892353182 658320528 /nfs/dbraw/zinc/32/05/28/658320528.db2.gz LXMYYMPTWAAIFF-UHXUPSOCSA-N 1 0 384.571 1.981 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CCO1 ZINC000892427273 658326379 /nfs/dbraw/zinc/32/63/79/658326379.db2.gz MBWDRRIXESLCOO-AKHZKOQFSA-N 1 0 380.286 1.845 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NCCSCCC(F)(F)F)C2)nn1 ZINC000892542306 658331452 /nfs/dbraw/zinc/33/14/52/658331452.db2.gz MIAANGPEJFVMIT-GFCCVEGCSA-N 1 0 380.440 1.769 20 0 GDADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892659233 658340000 /nfs/dbraw/zinc/34/00/00/658340000.db2.gz YSWUPDUXNKJUOC-DGCLKSJQSA-N 1 0 389.315 1.592 20 0 GDADRO Cc1ccc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000892696194 658343839 /nfs/dbraw/zinc/34/38/39/658343839.db2.gz ZEKFJQXAHHSBNE-OAHLLOKOSA-N 1 0 381.318 1.947 20 0 GDADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)C[C@@H]1C(F)(F)F ZINC000892761276 658347963 /nfs/dbraw/zinc/34/79/63/658347963.db2.gz SEGHFFMYKPSQOW-UPJWGTAASA-N 1 0 388.452 1.816 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N[C@]2(C)C[NH+]3CCC2CC3)cs1)C(N)=O ZINC000892759276 658347996 /nfs/dbraw/zinc/34/79/96/658347996.db2.gz NEZKQYWTDUSGQW-CXAGYDPISA-N 1 0 382.555 1.642 20 0 GDADRO C[C@]1(NC(=O)CSCc2cc(=O)n3ccsc3n2)C[NH+]2CCC1CC2 ZINC000892789442 658349536 /nfs/dbraw/zinc/34/95/36/658349536.db2.gz OZSWKRJCLLWQEB-KRWDZBQOSA-N 1 0 378.523 1.590 20 0 GDADRO CC(C)([NH3+])CCNC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000892855565 658354778 /nfs/dbraw/zinc/35/47/78/658354778.db2.gz ZUNDXMYBNRHHQZ-CYBMUJFWSA-N 1 0 383.290 1.759 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)NCCC(C)(C)[NH3+])CC2)c(C)s1 ZINC000892862671 658355733 /nfs/dbraw/zinc/35/57/33/658355733.db2.gz ZFCHEGIFKDHOHZ-UHFFFAOYSA-N 1 0 388.559 1.508 20 0 GDADRO O=C(NCCc1sccc1Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000892938599 658361754 /nfs/dbraw/zinc/36/17/54/658361754.db2.gz BIXXSSDQMCIBCD-GFCCVEGCSA-N 1 0 387.347 1.742 20 0 GDADRO Cn1ccc(N2CCC[C@H]([NH2+]Cc3ncc(Br)cc3O)C2=O)n1 ZINC000893081417 658376380 /nfs/dbraw/zinc/37/63/80/658376380.db2.gz DFQUIHRROBGVSS-NSHDSACASA-N 1 0 380.246 1.568 20 0 GDADRO C[C@@H](CCS(C)(=O)=O)[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000893113417 658378820 /nfs/dbraw/zinc/37/88/20/658378820.db2.gz ZAPMUBSLPTYACS-AWEZNQCLSA-N 1 0 377.551 1.388 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)CC[N@@H+]1C ZINC000893223450 658386699 /nfs/dbraw/zinc/38/66/99/658386699.db2.gz YXJOUPXXOSZLGD-WQAKAFBOSA-N 1 0 396.289 1.489 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2csc(C(F)(F)F)n2)cn1 ZINC000893550234 658419693 /nfs/dbraw/zinc/41/96/93/658419693.db2.gz JXNGXPJCPHVGLZ-UHFFFAOYSA-N 1 0 376.408 1.648 20 0 GDADRO O=C(NCc1ncc(Br)cn1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000893744694 658441349 /nfs/dbraw/zinc/44/13/49/658441349.db2.gz XHHHNBBZXDKSGJ-ZIAGYGMSSA-N 1 0 398.305 1.416 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000893767454 658444236 /nfs/dbraw/zinc/44/42/36/658444236.db2.gz IJELECZJJGTMKB-AWEZNQCLSA-N 1 0 388.559 1.379 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000893778443 658447998 /nfs/dbraw/zinc/44/79/98/658447998.db2.gz LWSNPXPXQLJLII-CQSZACIVSA-N 1 0 388.559 1.400 20 0 GDADRO COC(=O)[C@@H]1CC12CC[NH+](Cc1c(I)cnn1C)CC2 ZINC000894028998 658497194 /nfs/dbraw/zinc/49/71/94/658497194.db2.gz WXYLCKOILWYQAB-JTQLQIEISA-N 1 0 389.237 1.800 20 0 GDADRO CC(C)N1CC[NH+](C2CCN(Cc3nc(Br)nn3C)CC2)CC1 ZINC000894085849 658504917 /nfs/dbraw/zinc/50/49/17/658504917.db2.gz VOQKJXOOQCSZHF-UHFFFAOYSA-N 1 0 385.354 1.568 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNCc2c(I)cnn2C)C1 ZINC000894141963 658511455 /nfs/dbraw/zinc/51/14/55/658511455.db2.gz XNQXYUIVSIWNFD-GFCCVEGCSA-N 1 0 392.285 1.471 20 0 GDADRO COc1ccc([C@@H](O)C[NH2+]Cc2cn(C)nc2I)cc1 ZINC000894164721 658513885 /nfs/dbraw/zinc/51/38/85/658513885.db2.gz GIHBZCKFHOANME-ZDUSSCGKSA-N 1 0 387.221 1.857 20 0 GDADRO CNC(=O)c1cccc(CC[NH2+]Cc2cn(C)nc2I)c1 ZINC000894297708 658535261 /nfs/dbraw/zinc/53/52/61/658535261.db2.gz NIFXRLLISJAVAZ-UHFFFAOYSA-N 1 0 398.248 1.717 20 0 GDADRO Cn1ncc(I)c1CNC[C@]1([NH+](C)C)CCSC1 ZINC000894324532 658537993 /nfs/dbraw/zinc/53/79/93/658537993.db2.gz IBBRZYCKAOOUPK-GFCCVEGCSA-N 1 0 380.299 1.552 20 0 GDADRO Cn1cc(C[NH2+]CCN2CCOCC2(C)C)c(I)n1 ZINC000894394992 658550315 /nfs/dbraw/zinc/55/03/15/658550315.db2.gz ZBWHAFWWOOODLG-UHFFFAOYSA-N 1 0 378.258 1.225 20 0 GDADRO CCOC(=O)C1(C[NH2+]Cc2cn(C)nc2I)CCC1 ZINC000894447024 658558692 /nfs/dbraw/zinc/55/86/92/658558692.db2.gz WUXQEKZJPRQGES-UHFFFAOYSA-N 1 0 377.226 1.848 20 0 GDADRO Cn1cc(C[NH2+][C@@H](CCO)C2CCOCC2)c(I)n1 ZINC000894469844 658565388 /nfs/dbraw/zinc/56/53/88/658565388.db2.gz QZVHDUHLBLWEGC-LBPRGKRZSA-N 1 0 379.242 1.292 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000894520873 658572618 /nfs/dbraw/zinc/57/26/18/658572618.db2.gz HDQQIVRHYMAGBA-MFKMUULPSA-N 1 0 398.305 1.737 20 0 GDADRO COC(=O)c1cnc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)s1 ZINC000894560383 658582327 /nfs/dbraw/zinc/58/23/27/658582327.db2.gz ZDBXAKSUOFKIDY-UHFFFAOYSA-N 1 0 375.516 1.612 20 0 GDADRO CN(CC[N@H+](C)CCO)c1ncnc2c1c(Br)nn2C(C)(C)C ZINC000894591722 658588747 /nfs/dbraw/zinc/58/87/47/658588747.db2.gz USEDQHDAOKVWJN-UHFFFAOYSA-N 1 0 385.310 1.704 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)NCc1cc(F)c(F)cc1Br ZINC000894798895 658614954 /nfs/dbraw/zinc/61/49/54/658614954.db2.gz YNRUSIXUOWZKTO-UHFFFAOYSA-N 1 0 392.244 1.983 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](CO)c1ccccc1I ZINC000894844975 658624953 /nfs/dbraw/zinc/62/49/53/658624953.db2.gz ALLLDZPXBOURFR-GWCFXTLKSA-N 1 0 391.253 1.574 20 0 GDADRO Cn1cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c(I)n1 ZINC000894868675 658628078 /nfs/dbraw/zinc/62/80/78/658628078.db2.gz GKYZZRHAEVZFDB-CYBMUJFWSA-N 1 0 389.212 1.857 20 0 GDADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCn1cc(Br)ccc1=O ZINC000895086293 658659502 /nfs/dbraw/zinc/65/95/02/658659502.db2.gz BPOFXXRHZXZUCQ-KBPBESRZSA-N 1 0 383.290 1.489 20 0 GDADRO Cn1nc(Br)nc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000895248123 658678997 /nfs/dbraw/zinc/67/89/97/658678997.db2.gz LARANVVHMGQLIT-AWEZNQCLSA-N 1 0 380.290 1.434 20 0 GDADRO Cn1cc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c(I)n1 ZINC000895332758 658687411 /nfs/dbraw/zinc/68/74/11/658687411.db2.gz PDIZXHOLHHOSPT-ZDUSSCGKSA-N 1 0 390.269 1.368 20 0 GDADRO Cn1nc(Br)nc1C[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000895457069 658700641 /nfs/dbraw/zinc/70/06/41/658700641.db2.gz KYRPXSPFAYWBHN-UHFFFAOYSA-N 1 0 388.310 1.473 20 0 GDADRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(F)c(Br)c2)C[C@@H]1S(C)(=O)=O ZINC000895508503 658705274 /nfs/dbraw/zinc/70/52/74/658705274.db2.gz GJDZTIKNZBXHPM-GXTWGEPZSA-N 1 0 394.262 1.654 20 0 GDADRO O=S(=O)(c1ccc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)nc1)N1CCCC1 ZINC000895571360 658712163 /nfs/dbraw/zinc/71/21/63/658712163.db2.gz DGQBACRVBBYPNS-JKSUJKDBSA-N 1 0 382.555 1.858 20 0 GDADRO Cn1cc(C[NH+]2CCC3(CC2)COCCO3)c(I)n1 ZINC000895699637 658721901 /nfs/dbraw/zinc/72/19/01/658721901.db2.gz NKORNQYUCCZJLG-UHFFFAOYSA-N 1 0 377.226 1.406 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]nc1I)[N@@H+]1CCC[C@H](C)C1 ZINC000895728900 658724493 /nfs/dbraw/zinc/72/44/93/658724493.db2.gz BANNWQMTDNSKIR-UWVGGRQHSA-N 1 0 376.242 1.865 20 0 GDADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C[C@@H]1C(F)(F)F ZINC000895838517 658733198 /nfs/dbraw/zinc/73/31/98/658733198.db2.gz BIISHRCPHCSXHP-UTUOFQBUSA-N 1 0 388.452 1.801 20 0 GDADRO CNC(=O)C1([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCOCC1 ZINC000895883439 658737370 /nfs/dbraw/zinc/73/73/70/658737370.db2.gz FIRKDYRARGITMU-UHFFFAOYSA-N 1 0 399.285 1.995 20 0 GDADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895904118 658738534 /nfs/dbraw/zinc/73/85/34/658738534.db2.gz VFEFPAAFXZWROD-CYBMUJFWSA-N 1 0 397.269 1.557 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000895986036 658743520 /nfs/dbraw/zinc/74/35/20/658743520.db2.gz SMMBZTLUWBNGFE-BLLLJJGKSA-N 1 0 383.290 1.946 20 0 GDADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896304240 658766293 /nfs/dbraw/zinc/76/62/93/658766293.db2.gz JXJCEGOKIVPCHW-LSDHHAIUSA-N 1 0 394.313 1.865 20 0 GDADRO C[C@@H](NC(=O)c1ccc(I)cn1)[C@@H]1C[N@H+](C)CCN1C ZINC000896535208 658785846 /nfs/dbraw/zinc/78/58/46/658785846.db2.gz PRAWERFIDFYXRB-MFKMUULPSA-N 1 0 388.253 1.050 20 0 GDADRO C[C@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)[C@H]1C[N@H+](C)CCN1C ZINC000896545974 658788568 /nfs/dbraw/zinc/78/85/68/658788568.db2.gz RXTOCHLTQXSDGE-SGIREYDYSA-N 1 0 382.302 1.503 20 0 GDADRO OC1(C[NH2+]Cc2cnn3cc(Br)cnc23)CCC2(CC1)OCCO2 ZINC000896687839 658801913 /nfs/dbraw/zinc/80/19/13/658801913.db2.gz BRCMGOPMQMKYLR-UHFFFAOYSA-N 1 0 397.273 1.630 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000896742329 658805720 /nfs/dbraw/zinc/80/57/20/658805720.db2.gz KKWPYNHMPUDHHZ-JTQLQIEISA-N 1 0 376.242 1.879 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000896898720 658813127 /nfs/dbraw/zinc/81/31/27/658813127.db2.gz VXIMHMRONWLDEL-ZDUSSCGKSA-N 1 0 398.349 1.595 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000896907897 658813445 /nfs/dbraw/zinc/81/34/45/658813445.db2.gz RNDLYKLYBUQYCB-ZDUSSCGKSA-N 1 0 375.535 1.836 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2I)C1 ZINC000896960876 658814996 /nfs/dbraw/zinc/81/49/96/658814996.db2.gz ZIENZHXKCCAOEA-JTQLQIEISA-N 1 0 376.242 1.722 20 0 GDADRO Clc1nc(N2CCOCC2)sc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000897229962 658833853 /nfs/dbraw/zinc/83/38/53/658833853.db2.gz ZRAGSWRQAQPJCD-CQSZACIVSA-N 1 0 386.949 1.976 20 0 GDADRO C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H]1CS(N)(=O)=O ZINC000897612184 658873763 /nfs/dbraw/zinc/87/37/63/658873763.db2.gz PPVMXXIGSPBFCV-CJNGLKHVSA-N 1 0 382.917 1.941 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NC[C@H]2CSCCS2)CCN1c1cc[nH+]cc1 ZINC000897748625 658887506 /nfs/dbraw/zinc/88/75/06/658887506.db2.gz YDBFXJUSTQRJMD-ZFWWWQNUSA-N 1 0 380.539 1.084 20 0 GDADRO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897831229 658893599 /nfs/dbraw/zinc/89/35/99/658893599.db2.gz GKTQUNZWTIRBQM-SWLSCSKDSA-N 1 0 387.249 1.459 20 0 GDADRO COc1ccc(C[NH2+]CCS(=O)(=O)N2CCCC2)cc1Br ZINC000897832495 658894104 /nfs/dbraw/zinc/89/41/04/658894104.db2.gz PNXJCXVKVHOWBR-UHFFFAOYSA-N 1 0 377.304 1.973 20 0 GDADRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977111 658906677 /nfs/dbraw/zinc/90/66/77/658906677.db2.gz GGXSSMSTZIJDRJ-ZWNOBZJWSA-N 1 0 383.290 1.944 20 0 GDADRO Cn1nnc2cc(C[NH2+][C@H]3Cc4cc(Br)cnc4NC3=O)ccc21 ZINC000897977460 658907410 /nfs/dbraw/zinc/90/74/10/658907410.db2.gz HMTVJVVWKVVJGR-ZDUSSCGKSA-N 1 0 387.241 1.779 20 0 GDADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)C1(C)C ZINC000898103294 658915904 /nfs/dbraw/zinc/91/59/04/658915904.db2.gz VUDMVMTXIRUPBZ-FPMFFAJLSA-N 1 0 385.555 1.433 20 0 GDADRO Cn1cc(I)c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)n1 ZINC000898101421 658916026 /nfs/dbraw/zinc/91/60/26/658916026.db2.gz HSNKBOPNBNFCOX-UWVGGRQHSA-N 1 0 376.242 1.483 20 0 GDADRO O=C(c1nc(Br)ccc1F)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113471 658916518 /nfs/dbraw/zinc/91/65/18/658916518.db2.gz AVPKBQHTAOSQIB-UHFFFAOYSA-N 1 0 386.265 1.950 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)C1CCS(=O)(=O)CC1 ZINC000898289650 658922938 /nfs/dbraw/zinc/92/29/38/658922938.db2.gz FENIJPWGRCAPAK-CYBMUJFWSA-N 1 0 386.539 1.894 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCc1sccc1Br ZINC000898318314 658925430 /nfs/dbraw/zinc/92/54/30/658925430.db2.gz MBULZGRPJIGIPO-UHFFFAOYSA-N 1 0 388.331 1.722 20 0 GDADRO O=c1ccn(CCC[NH2+]Cc2cn3ccc(Br)cc3n2)c(=O)[nH]1 ZINC000898328578 658927335 /nfs/dbraw/zinc/92/73/35/658927335.db2.gz COXLFLDBRGDAKC-UHFFFAOYSA-N 1 0 378.230 1.539 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1Br ZINC000898376933 658929335 /nfs/dbraw/zinc/92/93/35/658929335.db2.gz PVQWVBFHMNPVHX-DGCLKSJQSA-N 1 0 375.288 1.611 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2c[nH]nc2Br)CC1=O ZINC000898473479 658936923 /nfs/dbraw/zinc/93/69/23/658936923.db2.gz ICWUJUPWZLRFQP-GHMZBOCLSA-N 1 0 384.278 1.444 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)cs1)C(N)=O ZINC000898823703 658959894 /nfs/dbraw/zinc/95/98/94/658959894.db2.gz OLFHNNIJDYZSCB-WCFLWFBJSA-N 1 0 382.555 1.641 20 0 GDADRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(CCNS(C)(=O)=O)s2)C12CCC2 ZINC000898843766 658961611 /nfs/dbraw/zinc/96/16/11/658961611.db2.gz AUSNUBQVEOVPMG-GJZGRUSLSA-N 1 0 385.555 1.442 20 0 GDADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(CCNS(C)(=O)=O)s2)C12CCC2 ZINC000898843768 658961664 /nfs/dbraw/zinc/96/16/64/658961664.db2.gz AUSNUBQVEOVPMG-HUUCEWRRSA-N 1 0 385.555 1.442 20 0 GDADRO C[C@H]1CN(C(=O)c2c[nH]nc2I)CCN1c1cc[nH+]cc1 ZINC000899204753 658994699 /nfs/dbraw/zinc/99/46/99/658994699.db2.gz GHDZRRKTSTZHDQ-JTQLQIEISA-N 1 0 397.220 1.760 20 0 GDADRO O=C(c1ccc(Br)[nH]c1=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000899212054 658996184 /nfs/dbraw/zinc/99/61/84/658996184.db2.gz MYZJQJBFPGQTCF-UHFFFAOYSA-N 1 0 384.274 1.516 20 0 GDADRO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000899558702 659029215 /nfs/dbraw/zinc/02/92/15/659029215.db2.gz VTPQRXCLWWCAFW-CQSZACIVSA-N 1 0 385.555 1.892 20 0 GDADRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000899613864 659036019 /nfs/dbraw/zinc/03/60/19/659036019.db2.gz REMSUIMEYHMJQV-OAHLLOKOSA-N 1 0 384.571 1.371 20 0 GDADRO COC(=O)c1ccc(Br)c(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)c1 ZINC000899633384 659038417 /nfs/dbraw/zinc/03/84/17/659038417.db2.gz WFBWKEYFCRZMDZ-INIZCTEOSA-N 1 0 396.241 1.410 20 0 GDADRO CN(C)[S@](C)(=O)=NCC1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000899719047 659053463 /nfs/dbraw/zinc/05/34/63/659053463.db2.gz OFQOYRMBBGAYAF-RUZDIDTESA-N 1 0 391.651 1.735 20 0 GDADRO C[N@H+](CCO)CCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000899740586 659057487 /nfs/dbraw/zinc/05/74/87/659057487.db2.gz FIBXREBMTQNGDH-UHFFFAOYSA-N 1 0 394.107 1.794 20 0 GDADRO O=C(c1cc(=O)[nH]cc1Br)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000899926276 659067642 /nfs/dbraw/zinc/06/76/42/659067642.db2.gz KZXOPSAAAHJXGL-GFCCVEGCSA-N 1 0 384.274 1.923 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(S(N)(=O)=O)cc1)c1ccsc1 ZINC000900136212 659087090 /nfs/dbraw/zinc/08/70/90/659087090.db2.gz GOFSHHFNYPWIQK-HNNXBMFYSA-N 1 0 399.563 1.907 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000900187987 659089842 /nfs/dbraw/zinc/08/98/42/659089842.db2.gz OHHBMQKKVHMJGT-INIZCTEOSA-N 1 0 384.318 1.626 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900187968 659089979 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O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901177281 659199871 /nfs/dbraw/zinc/19/98/71/659199871.db2.gz IKSHNVKFOOVMTF-NEPJUHHUSA-N 1 0 391.946 1.813 20 0 GDADRO CS[C@@H]1CN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000901228518 659204281 /nfs/dbraw/zinc/20/42/81/659204281.db2.gz HVNDKYWINYQMES-NWDGAFQWSA-N 1 0 391.324 1.622 20 0 GDADRO NC(=O)[C@@H](NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)cc1 ZINC000901630669 659224176 /nfs/dbraw/zinc/22/41/76/659224176.db2.gz KCBCTWIBQQLNMD-HOTGVXAUSA-N 1 0 382.302 1.818 20 0 GDADRO CC[NH+](CC)CCOc1cc(NS(=O)(=O)N=S(C)(C)=O)ccc1OC ZINC000903079855 659293919 /nfs/dbraw/zinc/29/39/19/659293919.db2.gz MKQRXRDFARVWIS-UHFFFAOYSA-N 1 0 393.531 1.800 20 0 GDADRO Cc1cc(NS(=O)(=O)N=S(C)(C)=O)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000903119320 659295399 /nfs/dbraw/zinc/29/53/99/659295399.db2.gz JGTDHHIGVVFRIW-UHFFFAOYSA-N 1 0 388.559 1.910 20 0 GDADRO CC(C)[C@H](COCc1ccccc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903226348 659305254 /nfs/dbraw/zinc/30/52/54/659305254.db2.gz LLVOQCKJALSVHP-INIZCTEOSA-N 1 0 376.544 1.875 20 0 GDADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000903229179 659307149 /nfs/dbraw/zinc/30/71/49/659307149.db2.gz FFCZIWMSSJOPBQ-ZDUSSCGKSA-N 1 0 384.527 1.889 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)C1 ZINC000903431400 659315470 /nfs/dbraw/zinc/31/54/70/659315470.db2.gz MPJVJIDFVYUDBW-NWDGAFQWSA-N 1 0 377.432 1.538 20 0 GDADRO O=S(=O)(NCC1=CC[NH2+]CC1)c1ccc(I)s1 ZINC000903497026 659318933 /nfs/dbraw/zinc/31/89/33/659318933.db2.gz BKQXAEFLIKOUCN-UHFFFAOYSA-N 1 0 384.264 1.551 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cc(Br)cc(Br)c2)CC1 ZINC000903523905 659329069 /nfs/dbraw/zinc/32/90/69/659329069.db2.gz WDIGGZJHOZLVNE-UHFFFAOYSA-N 1 0 384.093 1.981 20 0 GDADRO CCC(=O)N1CCc2ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc21 ZINC000903508991 659320417 /nfs/dbraw/zinc/32/04/17/659320417.db2.gz BODYZDYOFUCWRP-CYBMUJFWSA-N 1 0 379.404 1.496 20 0 GDADRO C[NH2+]C1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC1 ZINC000903513109 659322488 /nfs/dbraw/zinc/32/24/88/659322488.db2.gz RFCKFHIGMLPLFE-UHFFFAOYSA-N 1 0 391.287 1.691 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2c(Br)ccc(OC)c2F)C1 ZINC000903513001 659322522 /nfs/dbraw/zinc/32/25/22/659322522.db2.gz MVBPIVUDUWNWLI-SECBINFHSA-N 1 0 381.267 1.827 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1F ZINC000903513907 659323426 /nfs/dbraw/zinc/32/34/26/659323426.db2.gz JSZQKSSTUHDGND-IUCAKERBSA-N 1 0 381.267 1.968 20 0 GDADRO O=S(=O)(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccc(I)s1 ZINC000903515879 659324194 /nfs/dbraw/zinc/32/41/94/659324194.db2.gz TVOKCUQZOUEIOF-KWQFWETISA-N 1 0 398.291 1.916 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C[C@H]1[NH3+] ZINC000903517706 659324751 /nfs/dbraw/zinc/32/47/51/659324751.db2.gz IGMKYPPMWIBFDR-LDYMZIIASA-N 1 0 377.260 1.287 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C[C@H]1C[NH3+] ZINC000903525660 659329442 /nfs/dbraw/zinc/32/94/42/659329442.db2.gz NRNNYVHRAWCOMM-MWLCHTKSSA-N 1 0 391.287 1.534 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903529770 659330781 /nfs/dbraw/zinc/33/07/81/659330781.db2.gz WIRPVMDOVWHMGS-PRHODGIISA-N 1 0 377.260 1.122 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903536629 659332479 /nfs/dbraw/zinc/33/24/79/659332479.db2.gz GTPFAJXYMYKETR-YOEHRIQHSA-N 1 0 386.539 1.762 20 0 GDADRO COc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c(Br)c1 ZINC000903538670 659333305 /nfs/dbraw/zinc/33/33/05/659333305.db2.gz XFRVTYHVLPWDFM-UHFFFAOYSA-N 1 0 393.303 1.586 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000903548707 659337196 /nfs/dbraw/zinc/33/71/96/659337196.db2.gz TWCRUWXNZZYSPE-GHMZBOCLSA-N 1 0 379.404 1.711 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000903548511 659337270 /nfs/dbraw/zinc/33/72/70/659337270.db2.gz XRZGKJOHQSZABH-MWLCHTKSSA-N 1 0 377.869 1.961 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903551084 659338420 /nfs/dbraw/zinc/33/84/20/659338420.db2.gz UQOBQUBEXSTEBL-CYBMUJFWSA-N 1 0 391.287 1.595 20 0 GDADRO COC(=O)Cc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1F ZINC000903572763 659345418 /nfs/dbraw/zinc/34/54/18/659345418.db2.gz DJWQEEOTGNZJNS-ZYHUDNBSSA-N 1 0 384.351 1.051 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1F ZINC000903578101 659348914 /nfs/dbraw/zinc/34/89/14/659348914.db2.gz BRXKTCQDUODAJF-ZYHUDNBSSA-N 1 0 384.351 1.513 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903578166 659348949 /nfs/dbraw/zinc/34/89/49/659348949.db2.gz CLQXQXBZNNJOOY-DVVUODLYSA-N 1 0 399.460 1.845 20 0 GDADRO COC(=O)c1c(F)cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903578613 659349586 /nfs/dbraw/zinc/34/95/86/659349586.db2.gz INQOPJLEFQEKBC-WCBMZHEXSA-N 1 0 384.351 1.513 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)CCc2ccc3c(c2)CCO3)CC[C@H]1C(F)(F)F ZINC000903578848 659349926 /nfs/dbraw/zinc/34/99/26/659349926.db2.gz KNMDZEVNNKVJTB-KGLIPLIRSA-N 1 0 378.416 1.705 20 0 GDADRO CN(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903579553 659350186 /nfs/dbraw/zinc/35/01/86/659350186.db2.gz OWBDSEBXMMZGFM-QWHCGFSZSA-N 1 0 379.404 1.289 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1OC ZINC000903580003 659350724 /nfs/dbraw/zinc/35/07/24/659350724.db2.gz ROUTUYCXUUHWCF-WPRPVWTQSA-N 1 0 386.367 1.743 20 0 GDADRO COC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1C ZINC000903580590 659351552 /nfs/dbraw/zinc/35/15/52/659351552.db2.gz VYHDEKVUHBRKBJ-VXGBXAGGSA-N 1 0 380.388 1.682 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903581477 659352179 /nfs/dbraw/zinc/35/21/79/659352179.db2.gz MOVMAWQKHRQVHV-RNFRBKRXSA-N 1 0 380.314 1.339 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1F ZINC000903587115 659354472 /nfs/dbraw/zinc/35/44/72/659354472.db2.gz PQMNYZBQHLWZGZ-SNVBAGLBSA-N 1 0 381.267 1.955 20 0 GDADRO CC1(C)CN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C[C@H]1[NH3+] ZINC000903587562 659355102 /nfs/dbraw/zinc/35/51/02/659355102.db2.gz WWENFUBLCYGMEU-CYBMUJFWSA-N 1 0 391.287 1.677 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000903590001 659356039 /nfs/dbraw/zinc/35/60/39/659356039.db2.gz SKDGBNYJLYXSPT-MFKMUULPSA-N 1 0 398.428 1.482 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])ccc1Cl ZINC000903590426 659356351 /nfs/dbraw/zinc/35/63/51/659356351.db2.gz WEDUDNCOLPMLHI-YGRLFVJLSA-N 1 0 378.903 1.245 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c1OC ZINC000903592117 659356722 /nfs/dbraw/zinc/35/67/22/659356722.db2.gz BTHFNSNMPGRGNS-MRXNPFEDSA-N 1 0 387.889 1.225 20 0 GDADRO CN(C)[S@](C)(=O)=NS(=O)(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000903605049 659360602 /nfs/dbraw/zinc/36/06/02/659360602.db2.gz VCGHUNCMFCFCKG-HSZRJFAPSA-N 1 0 378.520 1.248 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCSC3(CCCCC3)C2)C[C@H]1C(F)(F)F ZINC000903753112 659378770 /nfs/dbraw/zinc/37/87/70/659378770.db2.gz LJVWOALTQAKMKL-VXGBXAGGSA-N 1 0 379.448 1.613 20 0 GDADRO O=C1NCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@H]1c1cccc(Br)c1 ZINC000903755138 659378944 /nfs/dbraw/zinc/37/89/44/659378944.db2.gz BHXPNGYPJSDGKY-XYJFISCASA-N 1 0 394.313 1.691 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000903756111 659379146 /nfs/dbraw/zinc/37/91/46/659379146.db2.gz IKRJNABIENVWRC-CQSZACIVSA-N 1 0 398.301 1.612 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903773813 659379802 /nfs/dbraw/zinc/37/98/02/659379802.db2.gz PNIQJYKAEYVTCC-CYBMUJFWSA-N 1 0 386.265 1.742 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)CC1 ZINC000903800051 659381437 /nfs/dbraw/zinc/38/14/37/659381437.db2.gz HLVPGIYTFRALFB-AWEZNQCLSA-N 1 0 381.274 1.457 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2CC(=O)NCC(=O)Nc1ccccc1Br ZINC000903855867 659384980 /nfs/dbraw/zinc/38/49/80/659384980.db2.gz POZUWDBMALZIRC-SJCJKPOMSA-N 1 0 395.301 1.317 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903969855 659391320 /nfs/dbraw/zinc/39/13/20/659391320.db2.gz MHQDKIBYWIMEOP-IUODEOHRSA-N 1 0 375.332 1.746 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000904429111 659400623 /nfs/dbraw/zinc/40/06/23/659400623.db2.gz WZSSCLYFDPBPFS-SNVBAGLBSA-N 1 0 388.262 1.918 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000904985472 659415201 /nfs/dbraw/zinc/41/52/01/659415201.db2.gz AMMJOZBCOWWSGO-HNNXBMFYSA-N 1 0 398.301 1.244 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905006538 659416861 /nfs/dbraw/zinc/41/68/61/659416861.db2.gz IVULKBQBSJESPU-IAQYHMDHSA-N 1 0 386.315 1.809 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905009729 659416875 /nfs/dbraw/zinc/41/68/75/659416875.db2.gz REFYRDHHOXTUCG-KDOFPFPSSA-N 1 0 394.313 1.790 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905014185 659417345 /nfs/dbraw/zinc/41/73/45/659417345.db2.gz VJIXEVOPICVDRV-CQSZACIVSA-N 1 0 376.404 1.475 20 0 GDADRO CC1CCN(CC[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905049822 659419325 /nfs/dbraw/zinc/41/93/25/659419325.db2.gz RCOKGQOXCCVLOQ-MRXNPFEDSA-N 1 0 375.579 1.309 20 0 GDADRO O=C(NCCC[NH2+]C[C@@H](O)C1(O)CCCC1)c1cccc(Br)c1 ZINC000905080857 659421253 /nfs/dbraw/zinc/42/12/53/659421253.db2.gz OEAKQBXSYOVCJD-OAHLLOKOSA-N 1 0 385.302 1.825 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)C2(O)CCCC2)s1 ZINC000905092009 659422283 /nfs/dbraw/zinc/42/22/83/659422283.db2.gz BTVMFLKFVKLBKV-OAHLLOKOSA-N 1 0 390.571 1.577 20 0 GDADRO C[N@H+](CCNC[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CCCC1 ZINC000905096813 659423041 /nfs/dbraw/zinc/42/30/41/659423041.db2.gz YFXDEIVZVBKVBS-MRXNPFEDSA-N 1 0 375.579 1.452 20 0 GDADRO C[S@](=O)CC[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905099239 659423608 /nfs/dbraw/zinc/42/36/08/659423608.db2.gz ZOYTYVWBDHWMQQ-SXBQZSJRSA-N 1 0 378.416 1.135 20 0 GDADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000905132208 659426210 /nfs/dbraw/zinc/42/62/10/659426210.db2.gz KQMZTAWJDTVMOE-NBOOPKSLSA-N 1 0 375.531 1.806 20 0 GDADRO Cc1ncc(CC[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000905178625 659430157 /nfs/dbraw/zinc/43/01/57/659430157.db2.gz YKBVHJFJDNVKMF-CQSZACIVSA-N 1 0 375.560 1.585 20 0 GDADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@@H](O)C3(O)CCOCC3)nc12 ZINC000905211460 659433348 /nfs/dbraw/zinc/43/33/48/659433348.db2.gz DWBVSUUENLCLPF-CQSZACIVSA-N 1 0 384.274 1.397 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H](O)C2(O)CCOCC2)ccc1I ZINC000905245285 659436583 /nfs/dbraw/zinc/43/65/83/659436583.db2.gz VNZGPYOYZBFNLL-CQSZACIVSA-N 1 0 391.249 1.592 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)s1 ZINC000905361357 659447136 /nfs/dbraw/zinc/44/71/36/659447136.db2.gz YJXYAZKGWCXHSS-MRXNPFEDSA-N 1 0 385.555 1.783 20 0 GDADRO OC[C@@H](C[NH2+]C[C@@H](O)C1(O)CCC1)Cc1cc(Br)ccc1F ZINC000905373940 659449132 /nfs/dbraw/zinc/44/91/32/659449132.db2.gz SXBKEBJUUPLPCK-IAQYHMDHSA-N 1 0 376.266 1.605 20 0 GDADRO OC[C@H](C[NH2+]C[C@@H](O)C1(O)CCC1)Cc1cc(Br)ccc1F ZINC000905373942 659449621 /nfs/dbraw/zinc/44/96/21/659449621.db2.gz SXBKEBJUUPLPCK-XHDPSFHLSA-N 1 0 376.266 1.605 20 0 GDADRO CO[C@H](C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CCCC1 ZINC000905380772 659450164 /nfs/dbraw/zinc/45/01/64/659450164.db2.gz JHHNKIKOJZLPTI-CVEARBPZSA-N 1 0 376.563 1.783 20 0 GDADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000905473521 659456027 /nfs/dbraw/zinc/45/60/27/659456027.db2.gz LNGYQJUUPNHDKN-MFKMUULPSA-N 1 0 375.288 1.800 20 0 GDADRO CN1C[C@@H](CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1=O ZINC000905525812 659462025 /nfs/dbraw/zinc/46/20/25/659462025.db2.gz QTUUXWXHJWXLFA-LBPRGKRZSA-N 1 0 389.315 1.681 20 0 GDADRO CCN1CCC[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1=O ZINC000905548984 659463941 /nfs/dbraw/zinc/46/39/41/659463941.db2.gz DQOOOTBLPNSEPA-HIFRSBDPSA-N 1 0 389.265 1.928 20 0 GDADRO CS(=O)(=O)[C@H]1C[C@H](NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000905551315 659464454 /nfs/dbraw/zinc/46/44/54/659464454.db2.gz LQYOYFHHRTWOQL-QAQDUYKDSA-N 1 0 381.567 1.691 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](O)c2cccc(Br)c2)CCS(=O)(=O)C1 ZINC000905557925 659464823 /nfs/dbraw/zinc/46/48/23/659464823.db2.gz RLXDPSSMNLMTNF-KGLIPLIRSA-N 1 0 378.288 1.276 20 0 GDADRO CCO[C@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)CN(C)C ZINC000905580925 659466794 /nfs/dbraw/zinc/46/67/94/659466794.db2.gz QOJCRHMVCMUUHA-CQSZACIVSA-N 1 0 393.347 1.779 20 0 GDADRO O[C@H](C[NH2+]CCO[C@H]1CCOC1)COc1cc(F)cc(Br)c1 ZINC000905610765 659468517 /nfs/dbraw/zinc/46/85/17/659468517.db2.gz WDKSCOCLXNMUEO-KGLIPLIRSA-N 1 0 378.238 1.723 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000905719667 659478823 /nfs/dbraw/zinc/47/88/23/659478823.db2.gz UHIWPOROIVSIHF-NKWVEPMBSA-N 1 0 379.184 1.842 20 0 GDADRO NC(=O)[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1ccc(Br)cc1 ZINC000905856157 659488256 /nfs/dbraw/zinc/48/82/56/659488256.db2.gz BXNBKCJPDIJLHX-CQSZACIVSA-N 1 0 383.286 1.887 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(Br)cn(C2CC2)c1=O ZINC000906215494 659525328 /nfs/dbraw/zinc/52/53/28/659525328.db2.gz PSZAXHJIDQZGJO-UHFFFAOYSA-N 1 0 398.301 1.788 20 0 GDADRO COC(=O)[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000906452034 659541934 /nfs/dbraw/zinc/54/19/34/659541934.db2.gz QCRDASORJFBFRR-HNNXBMFYSA-N 1 0 398.301 1.273 20 0 GDADRO NS(=O)(=O)CCCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000906601842 659559640 /nfs/dbraw/zinc/55/96/40/659559640.db2.gz LBFWSGRQRUSMHP-UHFFFAOYSA-N 1 0 387.933 1.737 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(F)(F)c1ncccc1Br ZINC000906642896 659564464 /nfs/dbraw/zinc/56/44/64/659564464.db2.gz VHEBELWVERWJTC-SNVBAGLBSA-N 1 0 377.233 1.298 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC000906659159 659566126 /nfs/dbraw/zinc/56/61/26/659566126.db2.gz BDMZDXDGHQWJES-UHFFFAOYSA-N 1 0 389.543 1.565 20 0 GDADRO CCN(C(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000906679837 659569568 /nfs/dbraw/zinc/56/95/68/659569568.db2.gz JJRQWZZRUZVYFH-NSHDSACASA-N 1 0 381.889 1.795 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)cnc(Cl)c1Br ZINC000906704138 659573552 /nfs/dbraw/zinc/57/35/52/659573552.db2.gz FFGKCLHQZYYWTK-VIFPVBQESA-N 1 0 389.681 1.859 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000906708245 659574525 /nfs/dbraw/zinc/57/45/25/659574525.db2.gz SNOOPARUGQOYTP-SNVBAGLBSA-N 1 0 376.201 1.780 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906716656 659574914 /nfs/dbraw/zinc/57/49/14/659574914.db2.gz IKYSJICEZYEVIW-QJPTWQEYSA-N 1 0 382.258 1.714 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1Br ZINC000906728487 659577189 /nfs/dbraw/zinc/57/71/89/659577189.db2.gz UTBACXYRTALJMT-DVVUODLYSA-N 1 0 398.257 1.414 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(F)c2I)C1 ZINC000906738646 659578310 /nfs/dbraw/zinc/57/83/10/659578310.db2.gz FSGBWFVREAXOGP-ZKCHVHJHSA-N 1 0 391.184 1.222 20 0 GDADRO CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906764962 659583561 /nfs/dbraw/zinc/58/35/61/659583561.db2.gz KXCDMHVIGPABKL-INIZCTEOSA-N 1 0 385.873 1.037 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)cc1Br ZINC000906764719 659583570 /nfs/dbraw/zinc/58/35/70/659583570.db2.gz HDSKNIQEJLYAGG-MRXNPFEDSA-N 1 0 382.258 1.751 20 0 GDADRO CS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)ccc1Cl ZINC000906764805 659583581 /nfs/dbraw/zinc/58/35/81/659583581.db2.gz IUJTVHADVZWHFJ-INIZCTEOSA-N 1 0 385.873 1.037 20 0 GDADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906766370 659584124 /nfs/dbraw/zinc/58/41/24/659584124.db2.gz VMFYMBQTNJCXPX-CQSZACIVSA-N 1 0 387.665 1.791 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000906779347 659586007 /nfs/dbraw/zinc/58/60/07/659586007.db2.gz IBVLLJUBHFKYDV-VIFPVBQESA-N 1 0 390.665 1.488 20 0 GDADRO C[C@H](NC(=O)c1nscc1I)[C@H]1C[N@H+](C)CCN1C ZINC000906781710 659587274 /nfs/dbraw/zinc/58/72/74/659587274.db2.gz VQKASPDDSUNBLX-WCBMZHEXSA-N 1 0 394.282 1.112 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1nscc1I ZINC000906803348 659590437 /nfs/dbraw/zinc/59/04/37/659590437.db2.gz RKSHLWXHMVCQEK-UHFFFAOYSA-N 1 0 383.255 1.446 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1nscc1I ZINC000906969787 659631305 /nfs/dbraw/zinc/63/13/05/659631305.db2.gz BLOQVDRIRFVHTP-XVKPBYJWSA-N 1 0 377.251 1.960 20 0 GDADRO CC(C)(CO)[NH+]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000907145482 659681080 /nfs/dbraw/zinc/68/10/80/659681080.db2.gz WQVWMJMREWWHBE-UHFFFAOYSA-N 1 0 398.301 1.474 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)oc1Cl ZINC000907186977 659694574 /nfs/dbraw/zinc/69/45/74/659694574.db2.gz PALRNDJXBDILRQ-MNOVXSKESA-N 1 0 376.862 1.967 20 0 GDADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000907291836 659721204 /nfs/dbraw/zinc/72/12/04/659721204.db2.gz MUEXMNYXIAKXAY-UONOGXRCSA-N 1 0 395.714 1.991 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907328465 659727633 /nfs/dbraw/zinc/72/76/33/659727633.db2.gz ABKCPJYQLCXGLI-UHFFFAOYSA-N 1 0 388.511 1.456 20 0 GDADRO C[NH+](C)CC1(CNC(=O)CSc2ccc(S(N)(=O)=O)cc2)CCCC1 ZINC000907376663 659741345 /nfs/dbraw/zinc/74/13/45/659741345.db2.gz BVVQPRPQSADIEA-UHFFFAOYSA-N 1 0 385.555 1.664 20 0 GDADRO CN(CCO)CCNS(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1 ZINC000907401843 659746767 /nfs/dbraw/zinc/74/67/67/659746767.db2.gz IUWIDGVVRMTBSV-HNNXBMFYSA-N 1 0 391.331 1.150 20 0 GDADRO CN(C(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000907514989 659769784 /nfs/dbraw/zinc/76/97/84/659769784.db2.gz XSSLALQXFLHSEI-IAGOWNOFSA-N 1 0 386.323 1.903 20 0 GDADRO 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YORXKDYDDJSCTP-RDJZCZTQSA-N 1 0 386.456 1.135 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC001571279979 945793441 /nfs/dbraw/zinc/79/34/41/945793441.db2.gz YORXKDYDDJSCTP-NVXWUHKLSA-N 1 0 386.456 1.135 20 0 GDADRO O=C(c1cc[nH]c1)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281676 945810591 /nfs/dbraw/zinc/81/05/91/945810591.db2.gz LIIFRNZFSNRWNH-CYBMUJFWSA-N 1 0 387.469 1.277 20 0 GDADRO O=C(c1ccsn1)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571282311 945838004 /nfs/dbraw/zinc/83/80/04/945838004.db2.gz GUZUXWZFRGTYQC-UHFFFAOYSA-N 1 0 387.444 1.857 20 0 GDADRO CC(=O)N[C@@](C)(C(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573456759 945898056 /nfs/dbraw/zinc/89/80/56/945898056.db2.gz OIJRJQLRIBRCQX-BFUOFWGJSA-N 1 0 387.488 1.012 20 0 GDADRO CO[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)C1CCCC1 ZINC001571284415 945899673 /nfs/dbraw/zinc/89/96/73/945899673.db2.gz QDOHSCKIKYZZKT-JLZZUVOBSA-N 1 0 387.488 1.450 20 0 GDADRO COC[C@@H](C)[N@@H+]1CC[C@H](C2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001571284938 945908518 /nfs/dbraw/zinc/90/85/18/945908518.db2.gz XDVZUPOHHQVKSS-HIFRSBDPSA-N 1 0 387.488 1.404 20 0 GDADRO COC[C@@H](C)[N@@H+]1CC[C@H](C2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001571285215 945911059 /nfs/dbraw/zinc/91/10/59/945911059.db2.gz ZNODVKWQFBGNBI-HIFRSBDPSA-N 1 0 387.488 1.404 20 0 GDADRO CC(=O)NC(C)(C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573462894 945946245 /nfs/dbraw/zinc/94/62/45/945946245.db2.gz OFZMHNZNEIMVLR-INIZCTEOSA-N 1 0 387.488 1.012 20 0 GDADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC001571286602 945953189 /nfs/dbraw/zinc/95/31/89/945953189.db2.gz LZRRIUNMQUUWNQ-LBPRGKRZSA-N 1 0 388.432 1.204 20 0 GDADRO O=C([C@@H]1CCCOCC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571287228 945969896 /nfs/dbraw/zinc/96/98/96/945969896.db2.gz BEYVVBMFNBDYBZ-HUUCEWRRSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@@H]1CCOC1 ZINC001571287278 945970253 /nfs/dbraw/zinc/97/02/53/945970253.db2.gz CIMKKPFQENLBJZ-APHBMKBZSA-N 1 0 388.447 1.417 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571287655 945975859 /nfs/dbraw/zinc/97/58/59/945975859.db2.gz GZBMGWNMYYMEMS-WBVHZDCISA-N 1 0 388.447 1.656 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571288244 945982568 /nfs/dbraw/zinc/98/25/68/945982568.db2.gz MXWBFEBQYPWEND-HUUCEWRRSA-N 1 0 388.447 1.369 20 0 GDADRO C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC001571288300 945985601 /nfs/dbraw/zinc/98/56/01/945985601.db2.gz NRDHUGYOCFRYRA-HUUCEWRRSA-N 1 0 388.447 1.465 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001571288333 945986169 /nfs/dbraw/zinc/98/61/69/945986169.db2.gz OJSSKIORNIXNFX-AUUYWEPGSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571288345 945986245 /nfs/dbraw/zinc/98/62/45/945986245.db2.gz OMLGGWFTKBWQIM-CZUORRHYSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288708 945990320 /nfs/dbraw/zinc/99/03/20/945990320.db2.gz RJQNYLVZJZNOHH-LRDDRELGSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCCCO1 ZINC001571288777 945992919 /nfs/dbraw/zinc/99/29/19/945992919.db2.gz TYPJIWWUAMYXMV-RHSMWYFYSA-N 1 0 388.447 1.656 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCCCO1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571288980 945995775 /nfs/dbraw/zinc/99/57/75/945995775.db2.gz VVIFCNHRCATLID-PXAZEXFGSA-N 1 0 388.447 1.511 20 0 GDADRO CCO[C@H]1C[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288962 945996546 /nfs/dbraw/zinc/99/65/46/945996546.db2.gz VLAGVWJKTFBGGD-RDJZCZTQSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCCOC1 ZINC001571289203 945997638 /nfs/dbraw/zinc/99/76/38/945997638.db2.gz XCAYXEJNRYPXDX-BEFAXECRSA-N 1 0 388.447 1.513 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001571289502 946010385 /nfs/dbraw/zinc/01/03/85/946010385.db2.gz GCDLDIPXFPAVDY-KKUMJFAQSA-N 1 0 388.497 1.673 20 0 GDADRO C[C@H]1CN(C(=O)c2cnon2)CC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571290096 946028618 /nfs/dbraw/zinc/02/86/18/946028618.db2.gz VDCRMTGDFKGYFO-WDEREUQCSA-N 1 0 388.457 1.199 20 0 GDADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001571290132 946029246 /nfs/dbraw/zinc/02/92/46/946029246.db2.gz VUOGYGWIBASZAR-SWLSCSKDSA-N 1 0 388.451 1.193 20 0 GDADRO Cc1sc(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(-c2nn[nH]n2)c1C ZINC000822556325 946122945 /nfs/dbraw/zinc/12/29/45/946122945.db2.gz BIBYLRUIONBGOK-MFKMUULPSA-N 1 0 375.502 1.652 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294771 946142889 /nfs/dbraw/zinc/14/28/89/946142889.db2.gz MANHSZJXZXWLRP-OAHLLOKOSA-N 1 0 389.529 1.445 20 0 GDADRO Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@@H]3C2)cn1 ZINC001571294728 946143793 /nfs/dbraw/zinc/14/37/93/946143793.db2.gz LIJAWJLQHSFKNR-KDURUIRLSA-N 1 0 389.463 1.774 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295254 946157415 /nfs/dbraw/zinc/15/74/15/946157415.db2.gz RAJGPCOSQFMDBK-ZIAGYGMSSA-N 1 0 389.529 1.351 20 0 GDADRO O=C(Cc1cccnc1)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571295410 946161700 /nfs/dbraw/zinc/16/17/00/946161700.db2.gz SDEZJOWLVIDRBK-RTBURBONSA-N 1 0 389.463 1.537 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295454 946164072 /nfs/dbraw/zinc/16/40/72/946164072.db2.gz TWRUFSXWYHTPKN-ZIAGYGMSSA-N 1 0 389.529 1.351 20 0 GDADRO Cc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)s1 ZINC001571295561 946166925 /nfs/dbraw/zinc/16/69/25/946166925.db2.gz XSWQXXNQWRPDOZ-BXKDBHETSA-N 1 0 389.510 1.943 20 0 GDADRO O=C(c1cnccn1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571297878 946199051 /nfs/dbraw/zinc/19/90/51/946199051.db2.gz BYEOBZFVXCNWQH-SJORKVTESA-N 1 0 390.451 1.536 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571298196 946208576 /nfs/dbraw/zinc/20/85/76/946208576.db2.gz BZOZBHVTLCFVAS-MJXUCMMTSA-N 1 0 390.451 1.141 20 0 GDADRO CO[C@@H](C(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1)C(C)C ZINC001571298265 946210263 /nfs/dbraw/zinc/21/02/63/946210263.db2.gz MAROSQRSWXYUFZ-QGZVFWFLSA-N 1 0 390.463 1.757 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)CC(C)(C)O ZINC001571298260 946212466 /nfs/dbraw/zinc/21/24/66/946212466.db2.gz LXIXCMJHFHNPHI-DOMZBBRYSA-N 1 0 390.463 1.636 20 0 GDADRO Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)c3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571298333 946213681 /nfs/dbraw/zinc/21/36/81/946213681.db2.gz DHKGALHOKNOFMC-YWZLYKJASA-N 1 0 390.451 1.754 20 0 GDADRO O=C(NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCOC1 ZINC001571298558 946221134 /nfs/dbraw/zinc/22/11/34/946221134.db2.gz AWEVQTSYNHRUGD-KGLIPLIRSA-N 1 0 390.513 1.826 20 0 GDADRO Cc1nsc(NC2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571298581 946222539 /nfs/dbraw/zinc/22/25/39/946222539.db2.gz BFQVPDPZRLEJIP-BPCQOVAHSA-N 1 0 390.517 1.517 20 0 GDADRO O=C(c1csnn1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299339 946246925 /nfs/dbraw/zinc/24/69/25/946246925.db2.gz LESSLMNBQINOKU-JTQLQIEISA-N 1 0 390.498 1.422 20 0 GDADRO Cc1nccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)n1 ZINC001571299852 946263885 /nfs/dbraw/zinc/26/38/85/946263885.db2.gz WOHQOTURFOMSOZ-CRAIPNDOSA-N 1 0 390.451 1.312 20 0 GDADRO Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1-c1nn[nH]n1 ZINC001571300254 946279107 /nfs/dbraw/zinc/27/91/07/946279107.db2.gz XWUMFLUXHSSTAU-QWHCGFSZSA-N 1 0 390.517 1.376 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571301869 946285764 /nfs/dbraw/zinc/28/57/64/946285764.db2.gz GNFHZHGNMSGAMY-NEPJUHHUSA-N 1 0 391.426 1.625 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1)C(C)(F)F ZINC001571302347 946300162 /nfs/dbraw/zinc/30/01/62/946300162.db2.gz VMKVYLBLLVGRCI-KPZWWZAWSA-N 1 0 391.426 1.982 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]cc2-c2nn[nH]n2)nn1 ZINC001571303731 946344462 /nfs/dbraw/zinc/34/44/62/946344462.db2.gz WKUFJQAUYNTXDZ-KCXAZCMYSA-N 1 0 391.439 1.208 20 0 GDADRO O=C(Cc1cccnc1)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571306037 946384029 /nfs/dbraw/zinc/38/40/29/946384029.db2.gz OHEJNIITHRTHDU-IBGZPJMESA-N 1 0 391.479 1.975 20 0 GDADRO Cc1cnccc1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571306713 946409749 /nfs/dbraw/zinc/40/97/49/946409749.db2.gz ZZNMJWYLFDCYAD-IBGZPJMESA-N 1 0 391.479 1.893 20 0 GDADRO O=C([C@H]1CCC1(F)F)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571308281 946431286 /nfs/dbraw/zinc/43/12/86/946431286.db2.gz NONDNUKAXYEIGT-LSDHHAIUSA-N 1 0 392.410 1.229 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001571308884 946437880 /nfs/dbraw/zinc/43/78/80/946437880.db2.gz UISSUKRFGSNGFV-RDBSUJKOSA-N 1 0 392.410 1.467 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001571310439 946471074 /nfs/dbraw/zinc/47/10/74/946471074.db2.gz GCBWRPNFCPRONT-CTYIDZIISA-N 1 0 392.467 1.363 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2)C1 ZINC001571310637 946478344 /nfs/dbraw/zinc/47/83/44/946478344.db2.gz LJEIPRDYOLEDFC-GOSISDBHSA-N 1 0 392.463 1.809 20 0 GDADRO CCc1ncncc1C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571313740 946530104 /nfs/dbraw/zinc/53/01/04/946530104.db2.gz VFCGZLGHMIEFQU-UHFFFAOYSA-N 1 0 392.467 1.614 20 0 GDADRO CC(=O)N1CC[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)[C@H](C)C1 ZINC000823972416 946530145 /nfs/dbraw/zinc/53/01/45/946530145.db2.gz ANPZAUHZQPGBPD-FOIQADDNSA-N 1 0 397.527 1.678 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571314000 946539108 /nfs/dbraw/zinc/53/91/08/946539108.db2.gz YPLUPFUHRCTBLO-HUUCEWRRSA-N 1 0 392.467 1.218 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)nn1 ZINC001571315787 946559354 /nfs/dbraw/zinc/55/93/54/946559354.db2.gz OCJFXOJDNJICPT-DOTOQJQBSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)nn1 ZINC001571316247 946570886 /nfs/dbraw/zinc/57/08/86/946570886.db2.gz XIXUEPBKDZZBPM-QGZVFWFLSA-N 1 0 392.467 1.750 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4-c4nn[nH]n4)C3)C2)[nH]n1 ZINC001571316307 946570988 /nfs/dbraw/zinc/57/09/88/946570988.db2.gz YVMUXDVJROHOEU-HXUWFJFHSA-N 1 0 392.467 1.636 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C23CCC3)n1C ZINC001571316254 946571070 /nfs/dbraw/zinc/57/10/70/946571070.db2.gz XNHXSDUIBZIIOH-SJORKVTESA-N 1 0 392.467 1.484 20 0 GDADRO Cn1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C23CCC3)n1 ZINC001571316552 946580290 /nfs/dbraw/zinc/58/02/90/946580290.db2.gz GCIQSYMFDCUBRF-IRXDYDNUSA-N 1 0 392.467 1.431 20 0 GDADRO Cn1cnc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2cccc(-c4nn[nH]n4)c2)CC3)c1 ZINC001571316762 946587501 /nfs/dbraw/zinc/58/75/01/946587501.db2.gz MCPOMOSPPKPZEP-FXAWDEMLSA-N 1 0 392.467 1.527 20 0 GDADRO Cc1cnc(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571316845 946589863 /nfs/dbraw/zinc/58/98/63/946589863.db2.gz OANQWCYIPQOKAS-GUYCJALGSA-N 1 0 392.467 1.463 20 0 GDADRO Cc1cnc(C(=O)N[C@]2(C)CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571316922 946591971 /nfs/dbraw/zinc/59/19/71/946591971.db2.gz QBIZVSVQDUWBNX-HXUWFJFHSA-N 1 0 392.467 1.981 20 0 GDADRO Cc1ncncc1C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC001571316937 946592502 /nfs/dbraw/zinc/59/25/02/946592502.db2.gz QHTNYXYTJRBJNO-QGZVFWFLSA-N 1 0 392.467 1.606 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571316964 946594512 /nfs/dbraw/zinc/59/45/12/946594512.db2.gz QOIXRXBAILYVOQ-YJBOKZPZSA-N 1 0 392.467 1.337 20 0 GDADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571317202 946604249 /nfs/dbraw/zinc/60/42/49/946604249.db2.gz XXUUXQIMCWSNKI-CWRNSKLLSA-N 1 0 392.467 1.620 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cnn2c1CCC2 ZINC001571317226 946604613 /nfs/dbraw/zinc/60/46/13/946604613.db2.gz YLCWXVJLDNVHDN-OTVXOJSOSA-N 1 0 392.467 1.308 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC001571317295 946607257 /nfs/dbraw/zinc/60/72/57/946607257.db2.gz BJCZLCVWXQFZHK-PRHODGIISA-N 1 0 392.876 1.555 20 0 GDADRO CC[C@H](C(=O)N1CCC[C@@H](CNc2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571317729 946619517 /nfs/dbraw/zinc/61/95/17/946619517.db2.gz SSEQCSXGSHGKIB-QWHCGFSZSA-N 1 0 392.533 1.622 20 0 GDADRO O=C(c1cnn2c1CCC2)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317858 946624446 /nfs/dbraw/zinc/62/44/46/946624446.db2.gz XRENXJFGMHXYNL-OAHLLOKOSA-N 1 0 392.467 1.261 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000824305465 946649293 /nfs/dbraw/zinc/64/92/93/946649293.db2.gz QTCYCUMLKPBORG-AEFFLSMTSA-N 1 0 383.500 1.825 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824412593 946692264 /nfs/dbraw/zinc/69/22/64/946692264.db2.gz BLIHPPKXNJANJV-AWEZNQCLSA-N 1 0 393.451 1.442 20 0 GDADRO CC(=O)N[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573536748 946740164 /nfs/dbraw/zinc/74/01/64/946740164.db2.gz BWBOYUSPUSIYMQ-SUMWQHHRSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824544984 946784421 /nfs/dbraw/zinc/78/44/21/946784421.db2.gz AVGIGONOJIINOO-CYBMUJFWSA-N 1 0 378.502 1.026 20 0 GDADRO C[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824554724 946797121 /nfs/dbraw/zinc/79/71/21/946797121.db2.gz RIEHNBALWZWJBW-CYBMUJFWSA-N 1 0 391.435 1.736 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568734 946806454 /nfs/dbraw/zinc/80/64/54/946806454.db2.gz CKJLHQSOAXONSA-FZMZJTMJSA-N 1 0 393.494 1.414 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1ccc(S(N)(=O)=O)cc1 ZINC000824617053 946865388 /nfs/dbraw/zinc/86/53/88/946865388.db2.gz CIRRJGUVENQLIY-JTQLQIEISA-N 1 0 376.417 1.504 20 0 GDADRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824899465 946980383 /nfs/dbraw/zinc/98/03/83/946980383.db2.gz KCDRVSJZKLGVSD-NIKGAXFTSA-N 1 0 395.511 1.430 20 0 GDADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825068700 947065546 /nfs/dbraw/zinc/06/55/46/947065546.db2.gz VNFAFWUSNCMZAJ-OLZOCXBDSA-N 1 0 382.472 1.660 20 0 GDADRO CCC1(CO)CC[NH+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825171552 947109862 /nfs/dbraw/zinc/10/98/62/947109862.db2.gz RNBSAQMOBCSOHW-KRWDZBQOSA-N 1 0 384.484 1.847 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCC1 ZINC001573598860 947446838 /nfs/dbraw/zinc/44/68/38/947446838.db2.gz SOGBBFBHOIYPFU-MLGOLLRUSA-N 1 0 390.463 1.351 20 0 GDADRO CO[C@@H]1CCC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)CC1 ZINC000826147058 947471996 /nfs/dbraw/zinc/47/19/96/947471996.db2.gz MPJGXIXTXBMFBA-OAHLLOKOSA-N 1 0 396.455 1.492 20 0 GDADRO COC[C@@H]([NH2+]CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C1CC1 ZINC000826150731 947479632 /nfs/dbraw/zinc/47/96/32/947479632.db2.gz KNWLBNXJHQNCDP-OAHLLOKOSA-N 1 0 382.428 1.006 20 0 GDADRO C[C@H](C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC001573603396 947485360 /nfs/dbraw/zinc/48/53/60/947485360.db2.gz GBDGSVKEYVQSDY-NSHDSACASA-N 1 0 387.394 1.636 20 0 GDADRO COCCN1CCC([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826159562 947503934 /nfs/dbraw/zinc/50/39/34/947503934.db2.gz KBNKHKPDJUGSEN-UHFFFAOYSA-N 1 0 396.499 1.468 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000826175627 947544993 /nfs/dbraw/zinc/54/49/93/947544993.db2.gz LGVWTAIJDHBXCD-HUUCEWRRSA-N 1 0 375.473 1.983 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000826175628 947545227 /nfs/dbraw/zinc/54/52/27/947545227.db2.gz LGVWTAIJDHBXCD-LSDHHAIUSA-N 1 0 375.473 1.983 20 0 GDADRO C[C@@H](C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)C(C)(F)F ZINC001573613474 947562857 /nfs/dbraw/zinc/56/28/57/947562857.db2.gz AYZTVLKGDHCVEL-GWCFXTLKSA-N 1 0 379.415 1.624 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(F)(F)F ZINC001573616521 947622693 /nfs/dbraw/zinc/62/26/93/947622693.db2.gz JEFCWUMICIFCSD-SKDRFNHKSA-N 1 0 386.353 1.895 20 0 GDADRO C[C@H](C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1cccnc1 ZINC001573627483 947725553 /nfs/dbraw/zinc/72/55/53/947725553.db2.gz CFIUAAJDOYRWBU-GOEBONIOSA-N 1 0 392.467 1.675 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573628224 947748728 /nfs/dbraw/zinc/74/87/28/947748728.db2.gz GSJQODYOXHSZNF-JLTOFOAXSA-N 1 0 384.484 1.356 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([C@@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573367949 947765083 /nfs/dbraw/zinc/76/50/83/947765083.db2.gz JPDRNNNUZRFVKD-HUUCEWRRSA-N 1 0 385.472 1.400 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1C ZINC001573367924 947765470 /nfs/dbraw/zinc/76/54/70/947765470.db2.gz IYTVJVWKYDGMKG-LRDDRELGSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC001573368856 947769947 /nfs/dbraw/zinc/76/99/47/947769947.db2.gz PZSDYBHHZIAQER-MLGOLLRUSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CCC([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573369827 947776462 /nfs/dbraw/zinc/77/64/62/947776462.db2.gz XLKWYWWZTBJEBZ-CQSZACIVSA-N 1 0 385.472 1.482 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001573374159 947806742 /nfs/dbraw/zinc/80/67/42/947806742.db2.gz NADCVJJOKKGXJT-MLGOLLRUSA-N 1 0 385.472 1.400 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001573375172 947817506 /nfs/dbraw/zinc/81/75/06/947817506.db2.gz MTQWJSNYTGSMMC-INIZCTEOSA-N 1 0 383.456 1.496 20 0 GDADRO CC(=O)CCCC(=O)N1CCC(CN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573376287 947834768 /nfs/dbraw/zinc/83/47/68/947834768.db2.gz XLJWIMWUALQKKB-UHFFFAOYSA-N 1 0 385.472 1.696 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC1 ZINC001573641735 947855846 /nfs/dbraw/zinc/85/58/46/947855846.db2.gz NAMTYJNJXGJFCF-KDOFPFPSSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573648192 947906149 /nfs/dbraw/zinc/90/61/49/947906149.db2.gz XRBWPCLPRBAMRC-UMVBOHGHSA-N 1 0 385.497 1.927 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccc1 ZINC001573653247 947953961 /nfs/dbraw/zinc/95/39/61/947953961.db2.gz JYNXNEFISJAJHX-WFASDCNBSA-N 1 0 385.497 1.975 20 0 GDADRO C[C@H](C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573656354 947988244 /nfs/dbraw/zinc/98/82/44/947988244.db2.gz DYZDPFAOGJYDEF-XJKSGUPXSA-N 1 0 385.472 1.552 20 0 GDADRO Cc1onc(CC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826343402 947990867 /nfs/dbraw/zinc/99/08/67/947990867.db2.gz ZHEMUBCDTBOUDJ-INIZCTEOSA-N 1 0 395.467 1.829 20 0 GDADRO C[C@@H](C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573663108 948031976 /nfs/dbraw/zinc/03/19/76/948031976.db2.gz IZHLGCMLYFANGD-KTAKPFMOSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@H](C(=O)N[C@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001573663744 948042083 /nfs/dbraw/zinc/04/20/83/948042083.db2.gz PGPLUCRJLXYGIU-VBKZILBWSA-N 1 0 384.484 1.356 20 0 GDADRO Cc1onc(CC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826347008 948047518 /nfs/dbraw/zinc/04/75/18/948047518.db2.gz AWCBQXBTOOVHBN-STQMWFEESA-N 1 0 375.477 1.580 20 0 GDADRO Cc1onc(CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826347578 948056642 /nfs/dbraw/zinc/05/66/42/948056642.db2.gz VVZULNYYFUEFDD-UHFFFAOYSA-N 1 0 395.467 1.734 20 0 GDADRO Cc1sc(NC(=O)CN2CC[NH+](CC(C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000826349591 948093391 /nfs/dbraw/zinc/09/33/91/948093391.db2.gz NKTJVQMELZYHAX-UHFFFAOYSA-N 1 0 377.518 1.757 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573671364 948108077 /nfs/dbraw/zinc/10/80/77/948108077.db2.gz FHIPEPNDQOGOAA-KDOFPFPSSA-N 1 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O=C1[C@H]([NH+]2CCC(CCCO)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476218 948380204 /nfs/dbraw/zinc/38/02/04/948380204.db2.gz CWEVBICATKYLQA-GOSISDBHSA-N 1 0 384.484 1.847 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476727 948384058 /nfs/dbraw/zinc/38/40/58/948384058.db2.gz NKQMHIFIUQJRIE-CRAIPNDOSA-N 1 0 392.467 1.965 20 0 GDADRO O=C1[C@H]([N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477155 948386992 /nfs/dbraw/zinc/38/69/92/948386992.db2.gz WPYCOTCXBURLSP-SOLBZPMBSA-N 1 0 382.468 1.721 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573707539 948435925 /nfs/dbraw/zinc/43/59/25/948435925.db2.gz PVQOORLNXJUMQR-CHWSQXEVSA-N 1 0 386.485 1.324 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCCO1)C1CC1 ZINC001573707739 948437846 /nfs/dbraw/zinc/43/78/46/948437846.db2.gz PHLYQKHHSZEHRY-OCCSQVGLSA-N 1 0 390.513 1.681 20 0 GDADRO 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CC(C)c1cccc(C[N@H+](C)[C@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574420598 948803170 /nfs/dbraw/zinc/80/31/70/948803170.db2.gz ZPHARXYZNNGVLB-CYBMUJFWSA-N 1 0 382.472 1.964 20 0 GDADRO CC(F)(F)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575225400 948804435 /nfs/dbraw/zinc/80/44/35/948804435.db2.gz AFQLPZNUDFWDJH-LBPRGKRZSA-N 1 0 382.390 1.989 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccon1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574917561 948822533 /nfs/dbraw/zinc/82/25/33/948822533.db2.gz ZQLJRNHINFFHDC-LBPRGKRZSA-N 1 0 387.419 1.563 20 0 GDADRO CC(C)(C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1CCCCC1 ZINC001573765417 948908187 /nfs/dbraw/zinc/90/81/87/948908187.db2.gz DKFHFFMPONFHQA-UHFFFAOYSA-N 1 0 383.500 1.780 20 0 GDADRO CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCO1 ZINC001574088330 948916014 /nfs/dbraw/zinc/91/60/14/948916014.db2.gz AWTZSRRHZQKUKF-WSMBLCCSSA-N 1 0 385.472 1.194 20 0 GDADRO CC(C)c1ncncc1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574432248 948928353 /nfs/dbraw/zinc/92/83/53/948928353.db2.gz GPGZIMAXTUHJLY-INIZCTEOSA-N 1 0 392.467 1.784 20 0 GDADRO CC(F)(F)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001575235802 948928523 /nfs/dbraw/zinc/92/85/23/948928523.db2.gz QSBUOVVVJXTOMW-JYAVWHMHSA-N 1 0 380.374 1.598 20 0 GDADRO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCNc1ncccc1-c1nn[nH]n1 ZINC001574686759 948940892 /nfs/dbraw/zinc/94/08/92/948940892.db2.gz LBQIUCIJHXDYHI-HOCLYGCPSA-N 1 0 386.504 1.831 20 0 GDADRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC001574089582 948960563 /nfs/dbraw/zinc/96/05/63/948960563.db2.gz FSKIAOXQDZJFED-FUHWJXTLSA-N 1 0 384.484 1.967 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCCC1 ZINC001573773758 948993316 /nfs/dbraw/zinc/99/33/16/948993316.db2.gz GWIUJXFMPFXFSN-INIZCTEOSA-N 1 0 386.500 1.650 20 0 GDADRO C[C@H](CNC(=O)COC(C)(C)C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574928594 949059190 /nfs/dbraw/zinc/05/91/90/949059190.db2.gz PGCKFSZLYMFSQX-GFCCVEGCSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1ncccc1-c1nn[nH]n1 ZINC001574694448 949072763 /nfs/dbraw/zinc/07/27/63/949072763.db2.gz PANIKKBYESRIKO-AWEZNQCLSA-N 1 0 386.504 1.785 20 0 GDADRO C[C@H](F)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575249593 949103196 /nfs/dbraw/zinc/10/31/96/949103196.db2.gz ZDZIVOIXIIBUFM-YMRXKLBXSA-N 1 0 383.431 1.928 20 0 GDADRO C[C@H](NC(=O)C(F)F)[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575251022 949125175 /nfs/dbraw/zinc/12/51/75/949125175.db2.gz KBZGQMIFBQQOFY-JQWIXIFHSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)(C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)F ZINC001573782738 949128384 /nfs/dbraw/zinc/12/83/84/949128384.db2.gz WWVVNMMEGHUMAV-NSHDSACASA-N 1 0 379.415 1.886 20 0 GDADRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001574095549 949152907 /nfs/dbraw/zinc/15/29/07/949152907.db2.gz YXRDNFCOLKYJCA-HUUCEWRRSA-N 1 0 391.501 1.145 20 0 GDADRO CC(C)c1ocnc1C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574447490 949161659 /nfs/dbraw/zinc/16/16/59/949161659.db2.gz PXEXMEBNQXVSOF-AWEZNQCLSA-N 1 0 382.428 1.416 20 0 GDADRO CC(C)c1ocnc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574447537 949162867 /nfs/dbraw/zinc/16/28/67/949162867.db2.gz SCKBFXWMCSRYGO-JTQLQIEISA-N 1 0 375.458 1.948 20 0 GDADRO C[C@@H](CNC(=O)COc1ccc(F)cc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574934549 949167374 /nfs/dbraw/zinc/16/73/74/949167374.db2.gz KUIQPQBUIVRRED-ZDUSSCGKSA-N 1 0 384.415 1.679 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574934594 949167814 /nfs/dbraw/zinc/16/78/14/949167814.db2.gz LTBKKMZDEMGEMT-LLVKDONJSA-N 1 0 390.444 1.741 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1F)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934651 949171459 /nfs/dbraw/zinc/17/14/59/949171459.db2.gz NCAUGFOKBPSQIK-LBPRGKRZSA-N 1 0 385.403 1.066 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573787292 949174864 /nfs/dbraw/zinc/17/48/64/949174864.db2.gz SGHYNBIBANULTR-HDJSIYSDSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575254490 949207197 /nfs/dbraw/zinc/20/71/97/949207197.db2.gz WKMIMFDCKGKJEE-NWDGAFQWSA-N 1 0 390.467 1.580 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccn1 ZINC001574698969 949219876 /nfs/dbraw/zinc/21/98/76/949219876.db2.gz QPPFJBWPGFSYFH-QWHCGFSZSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575255525 949236053 /nfs/dbraw/zinc/23/60/53/949236053.db2.gz QSSQGQRVCXLCDR-WDEREUQCSA-N 1 0 392.895 1.562 20 0 GDADRO C[C@H](NC(=O)C1(C)CCOCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575256252 949249099 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CC(C)n1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574459787 949363658 /nfs/dbraw/zinc/36/36/58/949363658.db2.gz KPBRBXHWAVNSRE-ZDUSSCGKSA-N 1 0 383.460 1.224 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704193 949378075 /nfs/dbraw/zinc/37/80/75/949378075.db2.gz APCKLYZKEQYFIU-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574704260 949380193 /nfs/dbraw/zinc/38/01/93/949380193.db2.gz LRGWJAKXJUAINM-NSHDSACASA-N 1 0 390.879 1.270 20 0 GDADRO C[C@@]1(C(=O)N2CC3(C2)CC[N@H+](Cc2ccc(-c4nn[nH]n4)s2)C3)CCOC1 ZINC001575528205 949391243 /nfs/dbraw/zinc/39/12/43/949391243.db2.gz OUPRLKHRFLMOLL-QGZVFWFLSA-N 1 0 388.497 1.389 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704424 949390991 /nfs/dbraw/zinc/39/09/91/949390991.db2.gz CFPWSZCYXCKMOR-WBMJQRKESA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1ncccc1-c1nn[nH]n1 ZINC001574704523 949393856 /nfs/dbraw/zinc/39/38/56/949393856.db2.gz ODWLMTSIZVULJV-AWEZNQCLSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H](CN(C)C(=O)C1CC(F)(F)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574704692 949404826 /nfs/dbraw/zinc/40/48/26/949404826.db2.gz PKEHGDUICXMQBT-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H]1CCC[C@H](OCC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576156493 949444692 /nfs/dbraw/zinc/44/46/92/949444692.db2.gz YUAICPIWOYRCTE-KBPBESRZSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574707637 949470759 /nfs/dbraw/zinc/47/07/59/949470759.db2.gz PFFHPZABVQPCBM-WBMJQRKESA-N 1 0 376.436 1.511 20 0 GDADRO CC(C)(C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573804504 949473062 /nfs/dbraw/zinc/47/30/62/949473062.db2.gz WOJDHANAVCCYBK-SFHVURJKSA-N 1 0 376.436 1.105 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCC1(F)F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574708815 949496307 /nfs/dbraw/zinc/49/63/07/949496307.db2.gz XIKHSFFSEDRSJR-ZWNOBZJWSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@]1(C(=O)N2CCC([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CCOC1 ZINC001575537770 949503408 /nfs/dbraw/zinc/50/34/08/949503408.db2.gz XQGHHOHURXDLJT-LJQANCHMSA-N 1 0 388.447 1.513 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574471079 949522385 /nfs/dbraw/zinc/52/23/85/949522385.db2.gz ZILWXSVCQDYBTJ-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@@H](NC(=O)C[C@@H]1CCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268950 949530597 /nfs/dbraw/zinc/53/05/97/949530597.db2.gz PZHUBZHDRAMKDI-NEPJUHHUSA-N 1 0 376.486 1.291 20 0 GDADRO C[C@@H](NC(=O)C[C@H]1CCOC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575269164 949543381 /nfs/dbraw/zinc/54/33/81/949543381.db2.gz RTZLQTDLUDAUCL-TZMCWYRMSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@@H](NC(=O)CC[C@@H]1CCOC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575270051 949572468 /nfs/dbraw/zinc/57/24/68/949572468.db2.gz AKRPXFFGEXTUJD-HUUCEWRRSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cocn1 ZINC001573810766 949576408 /nfs/dbraw/zinc/57/64/08/949576408.db2.gz CAZNYICCLGZOMH-HNNXBMFYSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1=COCCO1 ZINC001573811092 949592805 /nfs/dbraw/zinc/59/28/05/949592805.db2.gz HPNCXVCKJXBJRS-INIZCTEOSA-N 1 0 386.456 1.375 20 0 GDADRO C[C@@H](NC(=O)CC[C@@H]1CCCO1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575270568 949596857 /nfs/dbraw/zinc/59/68/57/949596857.db2.gz DVMXJFUWMGGRHU-PBHICJAKSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C1CCOCC1 ZINC001573811598 949603236 /nfs/dbraw/zinc/60/32/36/949603236.db2.gz MJAZFWZZRNMTIL-KRWDZBQOSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575874168 949603806 /nfs/dbraw/zinc/60/38/06/949603806.db2.gz RWLUSRQBIKGUFE-CJNGLKHVSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCOC1 ZINC001575547286 949626398 /nfs/dbraw/zinc/62/63/98/949626398.db2.gz WVAZCXCGYVPFSL-SCLBCKFNSA-N 1 0 390.513 1.826 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cncc(F)c1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573813221 949629147 /nfs/dbraw/zinc/62/91/47/949629147.db2.gz XFAKCUDETALRBF-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@H](CC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001574477052 949633009 /nfs/dbraw/zinc/63/30/09/949633009.db2.gz ODCPWCUSSQCPJT-OAHLLOKOSA-N 1 0 382.472 1.999 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@](C)(O)C1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574715176 949640636 /nfs/dbraw/zinc/64/06/36/949640636.db2.gz HHPIQGSQGKCGBI-BUXKBTBVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001575879274 949685942 /nfs/dbraw/zinc/68/59/42/949685942.db2.gz QAFPZZQYJIJEAW-DZGCQCFKSA-N 1 0 387.463 1.575 20 0 GDADRO C[C@]1(C(=O)N2C[C@H]3CCN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)C=CCC1 ZINC001575557116 949708619 /nfs/dbraw/zinc/70/86/19/949708619.db2.gz ARICTZNCBDUCEC-SIFCLUCFSA-N 1 0 379.468 1.903 20 0 GDADRO C[C@@H](NC(=O)CCc1ccncc1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575276266 949713774 /nfs/dbraw/zinc/71/37/74/949713774.db2.gz HYLBLLQDSVIDQT-OAHLLOKOSA-N 1 0 391.479 1.831 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574717026 949725279 /nfs/dbraw/zinc/72/52/79/949725279.db2.gz SLALEAPGSKCPHF-JSGCOSHPSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574717378 949732054 /nfs/dbraw/zinc/73/20/54/949732054.db2.gz VNXOHTJVDSWNSW-DOMZBBRYSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@]1(C(=O)N[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C2CC2)CCOC1 ZINC001575559133 949749628 /nfs/dbraw/zinc/74/96/28/949749628.db2.gz USIFLPMFNFUZFQ-VQIMIIECSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574717854 949752757 /nfs/dbraw/zinc/75/27/57/949752757.db2.gz QVZCTTSGXOLJMS-UKRRQHHQSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CN(C)C(=O)CC1OCCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574718224 949765689 /nfs/dbraw/zinc/76/56/89/949765689.db2.gz TZZZOHSLZJVBGH-LBPRGKRZSA-N 1 0 392.435 1.095 20 0 GDADRO C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)CCOC1 ZINC001575559841 949767375 /nfs/dbraw/zinc/76/73/75/949767375.db2.gz YBWILXMPCYTZQS-HLIPFELVSA-N 1 0 382.468 1.326 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573820338 949768252 /nfs/dbraw/zinc/76/82/52/949768252.db2.gz YDCMBSBIQMFQGY-MPTQWLOMSA-N 1 0 385.472 1.194 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574964606 949782468 /nfs/dbraw/zinc/78/24/68/949782468.db2.gz YSBSRYOLTCUMRP-WOPDTQHZSA-N 1 0 392.895 1.562 20 0 GDADRO C[C@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575560293 949784276 /nfs/dbraw/zinc/78/42/76/949784276.db2.gz NQYRHIJPDWAVRU-MHVYXZCWSA-N 1 0 388.447 1.417 20 0 GDADRO CC(C)C[C@H](C)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574138487 949794410 /nfs/dbraw/zinc/79/44/10/949794410.db2.gz DZRLETXMKFGYKH-GJZGRUSLSA-N 1 0 389.504 1.698 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576172355 949799519 /nfs/dbraw/zinc/79/95/19/949799519.db2.gz WKUUFAMHANQSFY-BLLLJJGKSA-N 1 0 381.444 1.015 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1cccnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574720821 949804676 /nfs/dbraw/zinc/80/46/76/949804676.db2.gz HSOCKYJIWAZNSA-HNNXBMFYSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574965699 949809075 /nfs/dbraw/zinc/80/90/75/949809075.db2.gz JOCQVMVJCCZNMV-MOFZMDFASA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574721165 949811475 /nfs/dbraw/zinc/81/14/75/949811475.db2.gz JWKZMMCDQDVFFH-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1ccnc1 ZINC001574481982 949813179 /nfs/dbraw/zinc/81/31/79/949813179.db2.gz YHYUZYPNUTYWRQ-QWHCGFSZSA-N 1 0 386.485 1.467 20 0 GDADRO CC(C)(C)[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573823176 949815688 /nfs/dbraw/zinc/81/56/88/949815688.db2.gz QPRDZWSESSNBEE-CQSZACIVSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@]1(C(=O)NC2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575563631 949845459 /nfs/dbraw/zinc/84/54/59/949845459.db2.gz LKLGLAJVSTYXGO-ALLBUHFWSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](NC(=O)COc1ccccc1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283347 949867976 /nfs/dbraw/zinc/86/79/76/949867976.db2.gz OHXZKSVXOMJXMA-OAHLLOKOSA-N 1 0 392.463 1.882 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001574484497 949884651 /nfs/dbraw/zinc/88/46/51/949884651.db2.gz HWPHYJRJUREJMU-CABCVRRESA-N 1 0 380.456 1.539 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1cncn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574724966 949889191 /nfs/dbraw/zinc/88/91/91/949889191.db2.gz NAGRRKBGTXOGAV-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575284530 949906912 /nfs/dbraw/zinc/90/69/12/949906912.db2.gz JFZGMCQQWFXRLG-GOEBONIOSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cc[nH]n2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576180378 949948814 /nfs/dbraw/zinc/94/88/14/949948814.db2.gz HJPDTHJUHMKEMB-RISCZKNCSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@@H](NC(=O)CCn1cccn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285571 949952839 /nfs/dbraw/zinc/95/28/39/949952839.db2.gz OXNZKYCUEYEIDP-GFCCVEGCSA-N 1 0 386.485 1.152 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)CCCOC1 ZINC001575571788 949959674 /nfs/dbraw/zinc/95/96/74/949959674.db2.gz AJXQLRQRDQZEQC-YLJYHZDGSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180679 949972677 /nfs/dbraw/zinc/97/26/77/949972677.db2.gz QGQYZPWYQBGXKN-FZMZJTMJSA-N 1 0 384.469 1.493 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576180793 949972725 /nfs/dbraw/zinc/97/27/25/949972725.db2.gz IZSMFOYYMDISOL-BXUZGUMPSA-N 1 0 387.469 1.947 20 0 GDADRO C[C@@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180915 949975689 /nfs/dbraw/zinc/97/56/89/949975689.db2.gz FZHKVMLNNKHDMI-KGLIPLIRSA-N 1 0 381.440 1.416 20 0 GDADRO C[C@H](CN(C)C(=O)COCC1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574727686 949978025 /nfs/dbraw/zinc/97/80/25/949978025.db2.gz XIEXEUNIAQSRAS-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573831304 949992495 /nfs/dbraw/zinc/99/24/95/949992495.db2.gz UBIYKYSJTSUIAG-CQSZACIVSA-N 1 0 390.463 1.759 20 0 GDADRO CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCCCC1 ZINC001575573916 950006222 /nfs/dbraw/zinc/00/62/22/950006222.db2.gz QEZSKKFKDVHZPX-ZDUSSCGKSA-N 1 0 392.529 1.855 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001576181447 950009376 /nfs/dbraw/zinc/00/93/76/950009376.db2.gz UPHXBWPJAQAHTE-NEPJUHHUSA-N 1 0 382.465 1.405 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001574974938 950011158 /nfs/dbraw/zinc/01/11/58/950011158.db2.gz FECJKAQNVRFOMR-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC=CCC1 ZINC001575574588 950024868 /nfs/dbraw/zinc/02/48/68/950024868.db2.gz XCENBJGBDPXJOJ-KXBFYZLASA-N 1 0 388.447 1.319 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CCCOC1 ZINC001574150976 950051505 /nfs/dbraw/zinc/05/15/05/950051505.db2.gz IMWHOATVYDNFPX-MSOLQXFVSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnsn1 ZINC001574151299 950070881 /nfs/dbraw/zinc/07/08/81/950070881.db2.gz OWIHVHJDUFNTBN-SNVBAGLBSA-N 1 0 392.514 1.714 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cnns1 ZINC001574151375 950077469 /nfs/dbraw/zinc/07/74/69/950077469.db2.gz QAIPKXFUWIXODG-CQSZACIVSA-N 1 0 386.485 1.653 20 0 GDADRO CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCCCC1 ZINC001575577056 950078840 /nfs/dbraw/zinc/07/88/40/950078840.db2.gz UUQIDNMVBBBOON-OAHLLOKOSA-N 1 0 390.463 1.543 20 0 GDADRO CC1(C(=O)NCC2([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)CCOCC2)CC1 ZINC001575577562 950083626 /nfs/dbraw/zinc/08/36/26/950083626.db2.gz WZJFSOFXXODSFM-UHFFFAOYSA-N 1 0 388.447 1.561 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2cn(C)cn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575893463 950084300 /nfs/dbraw/zinc/08/43/00/950084300.db2.gz ACTRZPRMUVNORV-BBRMVZONSA-N 1 0 380.456 1.383 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(F)cn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151633 950087897 /nfs/dbraw/zinc/08/78/97/950087897.db2.gz WQLYZSKILCQXSO-CQSZACIVSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ncc[nH]1 ZINC001574151679 950088839 /nfs/dbraw/zinc/08/88/39/950088839.db2.gz XUWKPQJVZJSVJX-ZDUSSCGKSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001574492779 950103350 /nfs/dbraw/zinc/10/33/50/950103350.db2.gz CTOWMBQZDDENJW-BXUZGUMPSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574733409 950110432 /nfs/dbraw/zinc/11/04/32/950110432.db2.gz AFTASDMHWAIWTP-LTUQZUHASA-N 1 0 382.468 1.227 20 0 GDADRO CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573839130 950121569 /nfs/dbraw/zinc/12/15/69/950121569.db2.gz LNKREMJGEMCECD-HNNXBMFYSA-N 1 0 388.516 1.896 20 0 GDADRO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574153126 950131574 /nfs/dbraw/zinc/13/15/74/950131574.db2.gz NEAOKBCBACEFCY-HNNXBMFYSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576184698 950137014 /nfs/dbraw/zinc/13/70/14/950137014.db2.gz XGOATRNQXPXZOC-DZGCQCFKSA-N 1 0 383.456 1.274 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ccn(C)n2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575898761 950155638 /nfs/dbraw/zinc/15/56/38/950155638.db2.gz UFDZQVXIAWOJRM-CJNGLKHVSA-N 1 0 380.456 1.383 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cnc(Cl)s1 ZINC001574737991 950162811 /nfs/dbraw/zinc/16/28/11/950162811.db2.gz AIPUMNQHIPPLDT-QMMMGPOBSA-N 1 0 380.865 1.555 20 0 GDADRO C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C[NH2+]Cc1cncs1 ZINC001576191418 950197331 /nfs/dbraw/zinc/19/73/31/950197331.db2.gz HUJDHECJCLJPJT-DGCLKSJQSA-N 1 0 386.485 1.539 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C[NH2+]CC1CCOCC1 ZINC001576191648 950204861 /nfs/dbraw/zinc/20/48/61/950204861.db2.gz ITWNEOULKACVTA-CJNGLKHVSA-N 1 0 387.488 1.309 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cccn1C ZINC001575900703 950206795 /nfs/dbraw/zinc/20/67/95/950206795.db2.gz HSGUHEFCKSPPED-LRDDRELGSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@H](CC(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574496445 950210242 /nfs/dbraw/zinc/21/02/42/950210242.db2.gz WAGCMTPXAMAKNB-OLZOCXBDSA-N 1 0 383.460 1.130 20 0 GDADRO CC(C)(C)CC[N@H+](CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573845347 950223416 /nfs/dbraw/zinc/22/34/16/950223416.db2.gz XPTWRBLBSAOBTQ-AWEZNQCLSA-N 1 0 389.504 1.530 20 0 GDADRO C[C@@]1(C(=O)NCC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575586819 950226432 /nfs/dbraw/zinc/22/64/32/950226432.db2.gz KDNYNCAGCPLCJW-HXUWFJFHSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)CC(C)(C)O ZINC001575901270 950230798 /nfs/dbraw/zinc/23/07/98/950230798.db2.gz MYBZPSROVJIZPF-ABAIWWIYSA-N 1 0 376.436 1.246 20 0 GDADRO C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1ccnc1 ZINC001574497650 950232715 /nfs/dbraw/zinc/23/27/15/950232715.db2.gz AMLASWWTQCWOQU-CQSZACIVSA-N 1 0 380.456 1.453 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cccc2cccnc21 ZINC001574983815 950241147 /nfs/dbraw/zinc/24/11/47/950241147.db2.gz SDRFGKPZSFGMIY-GFCCVEGCSA-N 1 0 376.424 1.651 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC001574497802 950243156 /nfs/dbraw/zinc/24/31/56/950243156.db2.gz DITXQBGCYYZERY-XJKSGUPXSA-N 1 0 384.440 1.220 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccc(F)cn1 ZINC001574157701 950248686 /nfs/dbraw/zinc/24/86/86/950248686.db2.gz HAZFHSAYSCLDDG-CYBMUJFWSA-N 1 0 384.419 1.474 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCCC1 ZINC001574497976 950249966 /nfs/dbraw/zinc/24/99/66/950249966.db2.gz HKOQZLFTUXKPJR-ZFWWWQNUSA-N 1 0 387.488 1.179 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c(F)cncc1F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574741669 950251436 /nfs/dbraw/zinc/25/14/36/950251436.db2.gz KMBWGRYDWCHTGL-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccccc1O ZINC001574157874 950258432 /nfs/dbraw/zinc/25/84/32/950258432.db2.gz KJRUHOSBONDDLY-ZDUSSCGKSA-N 1 0 381.440 1.646 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccccc1O ZINC001574157873 950259010 /nfs/dbraw/zinc/25/90/10/950259010.db2.gz KJRUHOSBONDDLY-CYBMUJFWSA-N 1 0 381.440 1.646 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C[NH2+]Cc1nccs1 ZINC001576192725 950263227 /nfs/dbraw/zinc/26/32/27/950263227.db2.gz QINVINKEMOERAM-DGCLKSJQSA-N 1 0 386.485 1.539 20 0 GDADRO C[C@]1(C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCCOC1 ZINC001575592542 950292909 /nfs/dbraw/zinc/29/29/09/950292909.db2.gz BTDJMOVTJUKFDP-AXMVSILFSA-N 1 0 388.447 1.585 20 0 GDADRO CC(C)C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574159360 950307546 /nfs/dbraw/zinc/30/75/46/950307546.db2.gz GCQYITIHPRIIHI-XJKSGUPXSA-N 1 0 389.508 1.186 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ncccc1F ZINC001575906343 950313745 /nfs/dbraw/zinc/31/37/45/950313745.db2.gz HQBPQUJVIDVRQF-GWCFXTLKSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@]1(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOC1 ZINC001575593832 950316035 /nfs/dbraw/zinc/31/60/35/950316035.db2.gz HLCSXFGJXIEGNI-UZLBHIALSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccn1 ZINC001575906945 950319741 /nfs/dbraw/zinc/31/97/41/950319741.db2.gz LBEBJGHPUYLYFP-ABAIWWIYSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ccsn1 ZINC001575906994 950326881 /nfs/dbraw/zinc/32/68/81/950326881.db2.gz LNDYAGMQLSRKRM-ONGXEEELSA-N 1 0 375.483 1.778 20 0 GDADRO C[C@H]1CCN(C(=O)c2cccnc2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576194011 950329006 /nfs/dbraw/zinc/32/90/06/950329006.db2.gz XMIIVPOCVYGAOJ-DZGCQCFKSA-N 1 0 378.440 1.289 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cnn(C)c1 ZINC001575907212 950330842 /nfs/dbraw/zinc/33/08/42/950330842.db2.gz MWIJLQMZPDIIJU-BDJLRTHQSA-N 1 0 384.419 1.132 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(CO)([NH2+]Cc2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001573853719 950331627 /nfs/dbraw/zinc/33/16/27/950331627.db2.gz UISQYULNDSEYJX-UHFFFAOYSA-N 1 0 389.460 1.113 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cnn(C)c1 ZINC001575907213 950331901 /nfs/dbraw/zinc/33/19/01/950331901.db2.gz MWIJLQMZPDIIJU-BZNIZROVSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C[NH2+]CC1CCOCC1 ZINC001576194375 950341567 /nfs/dbraw/zinc/34/15/67/950341567.db2.gz ZPVYIBWSWZQXQG-CJNGLKHVSA-N 1 0 387.488 1.309 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1cncs1 ZINC001575907749 950343947 /nfs/dbraw/zinc/34/39/47/950343947.db2.gz QCJILHJNRDZMPJ-LRDDRELGSA-N 1 0 383.481 1.645 20 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C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cncn1C ZINC001574527518 950893217 /nfs/dbraw/zinc/89/32/17/950893217.db2.gz CVDGXQVVMZHIAE-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccnnc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574527696 950901758 /nfs/dbraw/zinc/90/17/58/950901758.db2.gz GATVZFKNJLXANN-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cncn1C ZINC001574527829 950911378 /nfs/dbraw/zinc/91/13/78/950911378.db2.gz HVMBWNHWGVMVPO-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)(C)n1cc(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)cn1 ZINC001573894450 950926156 /nfs/dbraw/zinc/92/61/56/950926156.db2.gz RYFHFFAESRJBIJ-UHFFFAOYSA-N 1 0 381.444 1.010 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1n[nH]cc1F ZINC001574528132 950929710 /nfs/dbraw/zinc/92/97/10/950929710.db2.gz LLRTUMBWOFGXNJ-RKDXNWHRSA-N 1 0 378.437 1.477 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCO1 ZINC001574771635 950931760 /nfs/dbraw/zinc/93/17/60/950931760.db2.gz IDOLINZDQUDHCK-WFASDCNBSA-N 1 0 376.436 1.511 20 0 GDADRO CC1(C)C[C@@H](NC(=O)[C@@H]2CCCO2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575642003 950932943 /nfs/dbraw/zinc/93/29/43/950932943.db2.gz SLOLSZIGRSPJJJ-BBRMVZONSA-N 1 0 385.472 1.552 20 0 GDADRO CC(C)(CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001573895440 950935766 /nfs/dbraw/zinc/93/57/66/950935766.db2.gz AZKYMSFOZBVRKW-GFCCVEGCSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)CO1 ZINC001575936981 950937348 /nfs/dbraw/zinc/93/73/48/950937348.db2.gz BOIPGRSVINQACB-TZMCWYRMSA-N 1 0 376.436 1.321 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1n[nH]cc1F ZINC001574529593 950954065 /nfs/dbraw/zinc/95/40/65/950954065.db2.gz RGPRRKKIPBNSTF-VHSXEESVSA-N 1 0 390.398 1.555 20 0 GDADRO C[C@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574772127 950956454 /nfs/dbraw/zinc/95/64/54/950956454.db2.gz PSMHHEJQSAZCNZ-DYVFJYSZSA-N 1 0 389.479 1.427 20 0 GDADRO CC(C)(CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001573897796 950966062 /nfs/dbraw/zinc/96/60/62/950966062.db2.gz SPNPQBNUPPRLPU-GFCCVEGCSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(Cl)cc1F ZINC001575017006 950972374 /nfs/dbraw/zinc/97/23/74/950972374.db2.gz FOBOLOUHJDQKEF-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@H](C[N@H+](C)CCc1c(F)cccc1F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574772792 950973808 /nfs/dbraw/zinc/97/38/08/950973808.db2.gz VKRIEOVVFUKGSI-LLVKDONJSA-N 1 0 389.410 1.766 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001575938569 950988675 /nfs/dbraw/zinc/98/86/75/950988675.db2.gz LNHYOHJNGKNMKZ-CRAIPNDOSA-N 1 0 386.500 1.962 20 0 GDADRO CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)nc1 ZINC001575017324 950990364 /nfs/dbraw/zinc/99/03/64/950990364.db2.gz DEZNNUMYENXQRC-ZDUSSCGKSA-N 1 0 380.456 1.680 20 0 GDADRO C[C@H](CNC(=O)c1cccc2n[nH]cc21)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575027988 951164674 /nfs/dbraw/zinc/16/46/74/951164674.db2.gz KJGYHJACQZBDJS-SNVBAGLBSA-N 1 0 382.453 1.713 20 0 GDADRO C[C@H](CNC(=O)c1cccc(N(C)C)c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575029412 951186398 /nfs/dbraw/zinc/18/63/98/951186398.db2.gz VEYULLLZKFNKSH-ZDUSSCGKSA-N 1 0 380.456 1.228 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001575034398 951247124 /nfs/dbraw/zinc/24/71/24/951247124.db2.gz BDQYHDDBVJLNQG-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(C2CC2)n1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575035218 951269028 /nfs/dbraw/zinc/26/90/28/951269028.db2.gz HUWZBCZNYRSWNP-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](CNC(=O)c1ccn(C(F)F)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575035774 951282058 /nfs/dbraw/zinc/28/20/58/951282058.db2.gz LISVNHRYTQJJRI-JTQLQIEISA-N 1 0 376.371 1.366 20 0 GDADRO C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575036671 951296910 /nfs/dbraw/zinc/29/69/10/951296910.db2.gz VOHFTMVGBIZNIC-LBPRGKRZSA-N 1 0 383.460 1.468 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575042477 951362997 /nfs/dbraw/zinc/36/29/97/951362997.db2.gz KDCQWERBFMDMDO-ZDUSSCGKSA-N 1 0 382.472 1.632 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(F)F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575052522 951466896 /nfs/dbraw/zinc/46/68/96/951466896.db2.gz KTRNGSHCDYUVOX-SNVBAGLBSA-N 1 0 376.371 1.366 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C(F)F)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575054176 951486385 /nfs/dbraw/zinc/48/63/85/951486385.db2.gz XANWEFOWCYKVGD-NSHDSACASA-N 1 0 390.398 1.709 20 0 GDADRO C[C@@H](CNC(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575056976 951525094 /nfs/dbraw/zinc/52/50/94/951525094.db2.gz NKTNWADOZHRBNR-QMMMGPOBSA-N 1 0 377.405 1.076 20 0 GDADRO C[C@H](CNC(=O)c1ncc(F)cc1F)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575060582 951542436 /nfs/dbraw/zinc/54/24/36/951542436.db2.gz AEWDKTULLPLSHY-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575062197 951567724 /nfs/dbraw/zinc/56/77/24/951567724.db2.gz VHWQPTVYNREBBZ-LBPRGKRZSA-N 1 0 380.456 1.377 20 0 GDADRO C[C@H](CNC(=O)c1ncc2ccccn21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575065269 951581477 /nfs/dbraw/zinc/58/14/77/951581477.db2.gz BAKACHHNKOLXHP-CYBMUJFWSA-N 1 0 376.424 1.423 20 0 GDADRO C[C@@H](CNC(=O)c1occ2c1CCOC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067350 951608246 /nfs/dbraw/zinc/60/82/46/951608246.db2.gz RLURERUGXKBFIY-LBPRGKRZSA-N 1 0 382.424 1.441 20 0 GDADRO C[C@@H](CNC(=O)c1ncc(F)cc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575067339 951609359 /nfs/dbraw/zinc/60/93/59/951609359.db2.gz KZMLKPWJGHVFLG-VIFPVBQESA-N 1 0 391.357 1.587 20 0 GDADRO C[C@H](CNC(=O)c1ncsc1C1CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067740 951620941 /nfs/dbraw/zinc/62/09/41/951620941.db2.gz XMZPIKOXDHELBK-JTQLQIEISA-N 1 0 384.469 1.496 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC1CCC(F)(F)CC1 ZINC001575077124 951662405 /nfs/dbraw/zinc/66/24/05/951662405.db2.gz CUHNZLNTZDCSGQ-LLVKDONJSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1cscn1 ZINC001575077437 951669506 /nfs/dbraw/zinc/66/95/06/951669506.db2.gz CQGWCWPPNKQVBN-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)c1cocn1)C1CC1 ZINC001575077969 951675420 /nfs/dbraw/zinc/67/54/20/951675420.db2.gz IPIGISSUUHKFNA-SFHVURJKSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@@H](CNC(=O)C=Cc1ccc[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079575 951694807 /nfs/dbraw/zinc/69/48/07/951694807.db2.gz ROOHZLMKADDREW-SCXUMTSISA-N 1 0 383.431 1.889 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575079718 951696015 /nfs/dbraw/zinc/69/60/15/951696015.db2.gz FZTUAQBBVVUXDX-BBRMVZONSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)C1(CCF)CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079837 951698331 /nfs/dbraw/zinc/69/83/31/951698331.db2.gz HAIGDWYSGMWYPW-LBPRGKRZSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@H](CNC(=O)CCc1cn[nH]c1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080107 951704503 /nfs/dbraw/zinc/70/45/03/951704503.db2.gz UYOVIIZDKCVRBC-LBPRGKRZSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)c1ccn[nH]1)C1CC1 ZINC001575080228 951705498 /nfs/dbraw/zinc/70/54/98/951705498.db2.gz QHOWZOCPTNIWSS-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001575081827 951727031 /nfs/dbraw/zinc/72/70/31/951727031.db2.gz SLDBLNUQIMJACK-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]CCCOCC(F)(F)F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575081877 951727090 /nfs/dbraw/zinc/72/70/90/951727090.db2.gz WLXIWGCZPURLBO-JTQLQIEISA-N 1 0 389.382 1.214 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC1OCCCO1 ZINC001575081848 951727308 /nfs/dbraw/zinc/72/73/08/951727308.db2.gz SNIJDROMLIQHIC-GFCCVEGCSA-N 1 0 392.435 1.095 20 0 GDADRO C[C@H](C[NH2+]CCCOCC(F)(F)F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575081881 951727386 /nfs/dbraw/zinc/72/73/86/951727386.db2.gz WLXIWGCZPURLBO-SNVBAGLBSA-N 1 0 389.382 1.214 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575081916 951729754 /nfs/dbraw/zinc/72/97/54/951729754.db2.gz SYEDTPJKFFNRNO-ORAYPTAESA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1cc(O)ccc1Cl ZINC001575082588 951736336 /nfs/dbraw/zinc/73/63/36/951736336.db2.gz XMWJAJNPIMGKLO-SNVBAGLBSA-N 1 0 389.847 1.710 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001575088957 951744763 /nfs/dbraw/zinc/74/47/63/951744763.db2.gz DKTMCEWPNOZIMM-ICCXJUOJSA-N 1 0 382.390 1.844 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCOC1 ZINC001575089730 951753280 /nfs/dbraw/zinc/75/32/80/951753280.db2.gz GVXHKAVJPGWHIX-WFASDCNBSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCOCC1 ZINC001575090946 951765586 /nfs/dbraw/zinc/76/55/86/951765586.db2.gz ONLJZTXLNSKOIH-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCn1cccc1 ZINC001575091130 951769709 /nfs/dbraw/zinc/76/97/09/951769709.db2.gz PKZJTTKGLSPCDB-CQSZACIVSA-N 1 0 385.447 1.834 20 0 GDADRO C[C@H](CNC(=O)COc1ccsc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091254 951771886 /nfs/dbraw/zinc/77/18/86/951771886.db2.gz PFHKROUJSPEMHQ-ZDUSSCGKSA-N 1 0 386.481 1.849 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cncs1 ZINC001575091718 951781978 /nfs/dbraw/zinc/78/19/78/951781978.db2.gz WTRRZYISNZQPFR-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575091929 951787435 /nfs/dbraw/zinc/78/74/35/951787435.db2.gz ZEXMFWPTNHTQCV-BBRMVZONSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1ccccn1)C1CC1 ZINC001575091975 951788040 /nfs/dbraw/zinc/78/80/40/951788040.db2.gz WWQRCPIVQNDMPV-FQEVSTJZSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575092537 951795070 /nfs/dbraw/zinc/79/50/70/951795070.db2.gz DGIDKNHKWMASHB-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1coc(C2CC2)n1 ZINC001575095805 951815284 /nfs/dbraw/zinc/81/52/84/951815284.db2.gz WZEYPUKCBDXLBS-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001575098167 951820854 /nfs/dbraw/zinc/82/08/54/951820854.db2.gz BSFHSKRNFFBLRD-QWHCGFSZSA-N 1 0 388.501 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575099834 951839117 /nfs/dbraw/zinc/83/91/17/951839117.db2.gz PDQMMFBAXSFLDE-PXAZEXFGSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001575100485 951843711 /nfs/dbraw/zinc/84/37/11/951843711.db2.gz SWVHAIYHBCABDX-MRXNPFEDSA-N 1 0 390.448 1.479 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCC1(F)F ZINC001575101745 951863963 /nfs/dbraw/zinc/86/39/63/951863963.db2.gz JEBMKIJJWJYBJB-GXFFZTMASA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CNC(=O)c1cnsn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102983 951872435 /nfs/dbraw/zinc/87/24/35/951872435.db2.gz PVDDEWJTXVZAQI-VIFPVBQESA-N 1 0 376.421 1.013 20 0 GDADRO CC(C)SCC(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103111 951873711 /nfs/dbraw/zinc/87/37/11/951873711.db2.gz RZSBKTFMUXNXNX-GFCCVEGCSA-N 1 0 380.493 1.989 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCCCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103281 951874409 /nfs/dbraw/zinc/87/44/09/951874409.db2.gz SEOSBIUFEHGDBN-UKRRQHHQSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](CNC(=O)C[C@@H](C)n1cccn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105589 951896248 /nfs/dbraw/zinc/89/62/48/951896248.db2.gz KVPVUGUAXPNQAW-LSDHHAIUSA-N 1 0 382.472 1.556 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001575106161 951903734 /nfs/dbraw/zinc/90/37/34/951903734.db2.gz QNGAGPWLLXPPSL-VIFPVBQESA-N 1 0 391.432 1.418 20 0 GDADRO C[C@@H](CNC(=O)C1(c2cccnc2)CC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106962 951908914 /nfs/dbraw/zinc/90/89/14/951908914.db2.gz WLPGUXZIXKINMX-OAHLLOKOSA-N 1 0 391.479 1.835 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575107312 951917775 /nfs/dbraw/zinc/91/77/75/951917775.db2.gz CAMNRVMQQQKZOR-VHSSKADRSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@H](CNC(=O)c1coc(C2CC2)n1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108310 951922729 /nfs/dbraw/zinc/92/27/29/951922729.db2.gz KXIIMAQHFDOUJT-LBPRGKRZSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575109790 951933742 /nfs/dbraw/zinc/93/37/42/951933742.db2.gz VLNYAUHNTBFEML-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109966 951935090 /nfs/dbraw/zinc/93/50/90/951935090.db2.gz WVAKEFXVDFVWHY-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575113853 951947113 /nfs/dbraw/zinc/94/71/13/951947113.db2.gz HFJMNOYFRFNNFW-NRFANRHFSA-N 1 0 391.479 1.879 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)c1cnns1)C1CC1 ZINC001575115198 951962125 /nfs/dbraw/zinc/96/21/25/951962125.db2.gz VQXYFMYYQWCFLH-QGZVFWFLSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CC12CCOCC2)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115203 951963205 /nfs/dbraw/zinc/96/32/05/951963205.db2.gz VTFKABQEWYGNKE-WMLDXEAASA-N 1 0 384.484 1.525 20 0 GDADRO C[C@@H](C[NH2+]Cc1nccn1C(F)F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575116730 951971945 /nfs/dbraw/zinc/97/19/45/951971945.db2.gz GWGSWFQGFRQOQN-VIFPVBQESA-N 1 0 379.375 1.037 20 0 GDADRO C[C@H](C[NH2+]Cc1cnc(Cl)s1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575119375 951989352 /nfs/dbraw/zinc/98/93/52/951989352.db2.gz XRMBLLXSPZQLEE-MRVPVSSYSA-N 1 0 380.865 1.555 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575145129 952178484 /nfs/dbraw/zinc/17/84/84/952178484.db2.gz QUSQSORTNSWZSP-BBRMVZONSA-N 1 0 383.431 1.523 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)c1cc2c([nH]1)CCC2)C1CC1 ZINC001575145167 952178877 /nfs/dbraw/zinc/17/88/77/952178877.db2.gz RPJLHQZOYIECNX-FQEVSTJZSA-N 1 0 392.467 1.511 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575145510 952185805 /nfs/dbraw/zinc/18/58/05/952185805.db2.gz YVUDNEVNEYPWRC-ZDUSSCGKSA-N 1 0 387.488 1.395 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575164135 952286778 /nfs/dbraw/zinc/28/67/78/952286778.db2.gz IQLBRFNRLIDTEQ-BXUZGUMPSA-N 1 0 388.451 1.001 20 0 GDADRO C[C@](CNc1ncc(-c2nn[nH]n2)cc1F)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001575166238 952321988 /nfs/dbraw/zinc/32/19/88/952321988.db2.gz UCEPAOVFSADMJS-GOSISDBHSA-N 1 0 388.451 1.193 20 0 GDADRO CC(C)[C@@H](C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571117994 952485472 /nfs/dbraw/zinc/48/54/72/952485472.db2.gz RRLNCGPLJOFYTM-WBMJQRKESA-N 1 0 375.452 1.605 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001575201656 952506341 /nfs/dbraw/zinc/50/63/41/952506341.db2.gz JVUSSMPBUKCOHR-UONOGXRCSA-N 1 0 382.472 1.405 20 0 GDADRO CS[C@@H](C)C(=O)N1CCC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571120986 952513475 /nfs/dbraw/zinc/51/34/75/952513475.db2.gz TYFRMNGPPNNTOF-STQMWFEESA-N 1 0 375.502 1.688 20 0 GDADRO CO[C@@H](C)C(=O)N1CCC(C)([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571122263 952523217 /nfs/dbraw/zinc/52/32/17/952523217.db2.gz HZVUFLMYEYFUIR-LBPRGKRZSA-N 1 0 376.436 1.511 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CCC1 ZINC001571124101 952533699 /nfs/dbraw/zinc/53/36/99/952533699.db2.gz YWFXNWKTEKAZOE-IUODEOHRSA-N 1 0 376.486 1.434 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124680 952542829 /nfs/dbraw/zinc/54/28/29/952542829.db2.gz RBZWMMSZRAHPNV-GXFFZTMASA-N 1 0 377.399 1.378 20 0 GDADRO Cc1cc(N2CC[C@@](C)(NC(=O)C3CC(F)(F)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124670 952543273 /nfs/dbraw/zinc/54/32/73/952543273.db2.gz QVNZYBVXWOMFNL-MRXNPFEDSA-N 1 0 377.399 1.700 20 0 GDADRO CC(F)(F)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001575212902 952555028 /nfs/dbraw/zinc/55/50/28/952555028.db2.gz NJEGAJHGRCGYMQ-GOSISDBHSA-N 1 0 376.411 1.946 20 0 GDADRO CC(F)(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@@H]2C1 ZINC001575212991 952556017 /nfs/dbraw/zinc/55/60/17/952556017.db2.gz PSUIINIADZGDFW-OCCSQVGLSA-N 1 0 394.401 1.941 20 0 GDADRO CC(F)(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001575213809 952560416 /nfs/dbraw/zinc/56/04/16/952560416.db2.gz UUVPKIYTYPJSMA-TXEJJXNPSA-N 1 0 380.374 1.551 20 0 GDADRO Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571128610 952568662 /nfs/dbraw/zinc/56/86/62/952568662.db2.gz VFGRZIGMOXKFMX-HNNXBMFYSA-N 1 0 377.452 1.822 20 0 GDADRO Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001571128961 952571757 /nfs/dbraw/zinc/57/17/57/952571757.db2.gz ZQOGEJOTGWFBFU-KRWDZBQOSA-N 1 0 377.452 1.965 20 0 GDADRO Cc1ccnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571134313 952588838 /nfs/dbraw/zinc/58/88/38/952588838.db2.gz HLQCJMUYEYZZHU-MLGOLLRUSA-N 1 0 378.440 1.215 20 0 GDADRO CN(C(=O)c1ccncn1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571135406 952603430 /nfs/dbraw/zinc/60/34/30/952603430.db2.gz VJHDVNVZECKOKP-UHFFFAOYSA-N 1 0 378.440 1.393 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC001571135606 952605459 /nfs/dbraw/zinc/60/54/59/952605459.db2.gz YPJCKPMWSSIRDD-XJKSGUPXSA-N 1 0 378.440 1.297 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)c1cccnc1 ZINC001571140032 952623302 /nfs/dbraw/zinc/62/33/02/952623302.db2.gz NPDDGLLXHDXBFY-QLPKVWCKSA-N 1 0 379.399 1.261 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)c1cc[nH]c(=O)c1 ZINC001571140399 952625461 /nfs/dbraw/zinc/62/54/61/952625461.db2.gz CCHOBAAYLKHUNI-BLLLJJGKSA-N 1 0 379.424 1.360 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccncc3)C2)cc1-c1nn[nH]n1 ZINC001571141809 952637269 /nfs/dbraw/zinc/63/72/69/952637269.db2.gz MYGBNPURSHLPHL-HNNXBMFYSA-N 1 0 379.424 1.275 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnc(Cl)s2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571142809 952646825 /nfs/dbraw/zinc/64/68/25/952646825.db2.gz ZNMQEXGRKTVJGZ-OCAPTIKFSA-N 1 0 378.849 1.355 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)Cc2ccc[nH]2)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571150406 952667667 /nfs/dbraw/zinc/66/76/67/952667667.db2.gz AENIFEKLXIUSCI-PBHICJAKSA-N 1 0 379.468 1.907 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c(C)n1C ZINC001571151637 952677191 /nfs/dbraw/zinc/67/71/91/952677191.db2.gz SHYVRSPSKOGTMG-KRWDZBQOSA-N 1 0 379.468 1.826 20 0 GDADRO O=C(CC(F)(F)F)N1C[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571152654 952683336 /nfs/dbraw/zinc/68/33/36/952683336.db2.gz JHVWBFNTHPAKTA-ZIAGYGMSSA-N 1 0 380.374 1.852 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1(F)CCOCC1 ZINC001571165587 952753439 /nfs/dbraw/zinc/75/34/39/952753439.db2.gz GFHUEHKPTYDZOC-XYPYZODXSA-N 1 0 380.449 1.184 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2c[nH]nc2C)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571165922 952756182 /nfs/dbraw/zinc/75/61/82/952756182.db2.gz IYOPSLYADBRWMK-DLBZAZTESA-N 1 0 380.456 1.681 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2cncn2C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571166988 952768122 /nfs/dbraw/zinc/76/81/22/952768122.db2.gz RWXAWZWCOVOYAX-CJNGLKHVSA-N 1 0 380.456 1.383 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571167107 952769757 /nfs/dbraw/zinc/76/97/57/952769757.db2.gz VTDGKPWAKIFMRE-CJNGLKHVSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001571167095 952769843 /nfs/dbraw/zinc/76/98/43/952769843.db2.gz VHZZHDYXHIWDSY-RCBQFDQVSA-N 1 0 380.456 1.141 20 0 GDADRO CC1(C)C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC001571167111 952769987 /nfs/dbraw/zinc/76/99/87/952769987.db2.gz VWIKKRJEXAVBJJ-INIZCTEOSA-N 1 0 380.456 1.159 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571167240 952771619 /nfs/dbraw/zinc/77/16/19/952771619.db2.gz ZMUUXQNTIUDYGT-INIZCTEOSA-N 1 0 380.456 1.648 20 0 GDADRO CN(C(=O)c1ncc[nH]1)C1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571169488 952775031 /nfs/dbraw/zinc/77/50/31/952775031.db2.gz DVJHDOQIDJANBL-UHFFFAOYSA-N 1 0 380.456 1.763 20 0 GDADRO Cc1cnn(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571169625 952775999 /nfs/dbraw/zinc/77/59/99/952775999.db2.gz IKCMTCRKXFBICW-QGZVFWFLSA-N 1 0 380.456 1.152 20 0 GDADRO Cc1c(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)ccn1C ZINC001571169666 952777206 /nfs/dbraw/zinc/77/72/06/952777206.db2.gz KAFVNEWPSLIFQG-AWEZNQCLSA-N 1 0 380.456 1.356 20 0 GDADRO Cc1[nH]nc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c1C ZINC001571169718 952777297 /nfs/dbraw/zinc/77/72/97/952777297.db2.gz LEKOPOQSCYNLKO-INIZCTEOSA-N 1 0 380.456 1.601 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C ZINC001571170539 952787601 /nfs/dbraw/zinc/78/76/01/952787601.db2.gz WFQZLBLJVWBIPJ-CXAGYDPISA-N 1 0 380.456 1.681 20 0 GDADRO Cn1cccc1C(=O)N1CCCCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571172367 952807222 /nfs/dbraw/zinc/80/72/22/952807222.db2.gz UCWLWGQRINDBHA-CQSZACIVSA-N 1 0 380.456 1.519 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)cn1 ZINC001571178396 952840544 /nfs/dbraw/zinc/84/05/44/952840544.db2.gz HNVWWNSPLSLVEM-HNNXBMFYSA-N 1 0 381.415 1.714 20 0 GDADRO CN(C(=O)c1ncccc1F)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571178674 952844758 /nfs/dbraw/zinc/84/47/58/952844758.db2.gz QVBAOGYSOZVZEQ-HNNXBMFYSA-N 1 0 381.415 1.747 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571179275 952851487 /nfs/dbraw/zinc/85/14/87/952851487.db2.gz AZSMMPOZKGOZDU-SUYBPPKGSA-N 1 0 381.440 1.026 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)no1 ZINC001571179945 952857407 /nfs/dbraw/zinc/85/74/07/952857407.db2.gz KUSUVOKEHFILGZ-HUUCEWRRSA-N 1 0 381.440 1.994 20 0 GDADRO Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)Cc2ccoc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180274 952859502 /nfs/dbraw/zinc/85/95/02/952859502.db2.gz OFECGVOMVLZKNH-ZBFHGGJFSA-N 1 0 381.440 1.525 20 0 GDADRO Cc1ccc([C@H](C)C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571180473 952860355 /nfs/dbraw/zinc/86/03/55/952860355.db2.gz OYPFDGRIPNVEDU-KBPBESRZSA-N 1 0 381.440 1.970 20 0 GDADRO Cc1ncoc1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571180507 952860463 /nfs/dbraw/zinc/86/04/63/952860463.db2.gz QLECQVMENJPDDG-SHTZXODSSA-N 1 0 381.440 1.994 20 0 GDADRO Cc1cc(N2CCCN(C(=O)CCc3ccco3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180895 952861503 /nfs/dbraw/zinc/86/15/03/952861503.db2.gz RBKQBUGYKYPLBJ-UHFFFAOYSA-N 1 0 381.440 1.835 20 0 GDADRO CC(C)c1nocc1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571182827 952869862 /nfs/dbraw/zinc/86/98/62/952869862.db2.gz GZQLJFCXQUFING-UHFFFAOYSA-N 1 0 381.440 1.840 20 0 GDADRO C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccoc1 ZINC001571182971 952872172 /nfs/dbraw/zinc/87/21/72/952872172.db2.gz LAFRZVPKCWRAPM-ZFWWWQNUSA-N 1 0 381.440 1.701 20 0 GDADRO O=C(NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1ccc(F)cn1 ZINC001571183260 952875618 /nfs/dbraw/zinc/87/56/18/952875618.db2.gz UTINDUVPOWAOPJ-UHFFFAOYSA-N 1 0 381.415 1.699 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1NC(=O)c1ccon1 ZINC001571183384 952877690 /nfs/dbraw/zinc/87/76/90/952877690.db2.gz ZAKLKXNLADBAQH-MRXNPFEDSA-N 1 0 381.440 1.885 20 0 GDADRO Cc1nccnc1C[NH2+]C1CCC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571188616 952916807 /nfs/dbraw/zinc/91/68/07/952916807.db2.gz FGZIKWSICMYRJR-UHFFFAOYSA-N 1 0 381.444 1.124 20 0 GDADRO Cc1cnn(C)c1C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571188832 952920755 /nfs/dbraw/zinc/92/07/55/952920755.db2.gz NMDUOGOSSUQFKN-CYBMUJFWSA-N 1 0 381.444 1.011 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cccnn1 ZINC001571195487 952976145 /nfs/dbraw/zinc/97/61/45/952976145.db2.gz ANXULAFLGPJLDX-NHYWBVRUSA-N 1 0 382.403 1.189 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)ncn1 ZINC001571195721 952978906 /nfs/dbraw/zinc/97/89/06/952978906.db2.gz FIQFNAOPPPGTGQ-CYBMUJFWSA-N 1 0 382.403 1.109 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CN1C(=O)c1cncnc1 ZINC001571197353 952988540 /nfs/dbraw/zinc/98/85/40/952988540.db2.gz XSIALIASVQEVIK-RISCZKNCSA-N 1 0 382.403 1.189 20 0 GDADRO CCc1nc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H](C)C2)co1 ZINC001571199013 952994975 /nfs/dbraw/zinc/99/49/75/952994975.db2.gz JXLZREHUQZIMGF-WCQYABFASA-N 1 0 382.428 1.197 20 0 GDADRO CCc1cc(C(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)no1 ZINC001571199436 952999620 /nfs/dbraw/zinc/99/96/20/952999620.db2.gz QUVCUCOYJZQXPI-GFCCVEGCSA-N 1 0 382.428 1.601 20 0 GDADRO O=C(c1cccnn1)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571201906 953020621 /nfs/dbraw/zinc/02/06/21/953020621.db2.gz SWBORQCKDMBHEY-UHFFFAOYSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1nc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)co1 ZINC001571202733 953027816 /nfs/dbraw/zinc/02/78/16/953027816.db2.gz XNNISHVCTPONGJ-WCQYABFASA-N 1 0 382.428 1.593 20 0 GDADRO Cc1ncoc1C[NH2+][C@@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C12CCC2 ZINC001571207133 953059799 /nfs/dbraw/zinc/05/97/99/953059799.db2.gz WAWAUAOYFDVCBP-HUUCEWRRSA-N 1 0 382.428 1.322 20 0 GDADRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[nH]n3)cc1)C2)[C@@H]1CCCO1 ZINC001571209875 953068958 /nfs/dbraw/zinc/06/89/58/953068958.db2.gz HLQURHPJTZFMQS-AUDKGVNFSA-N 1 0 382.468 1.563 20 0 GDADRO C[C@H]1COCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571209943 953069444 /nfs/dbraw/zinc/06/94/44/953069444.db2.gz JSBRYCLEENQINH-VDMKFOLZSA-N 1 0 382.468 1.086 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571210159 953070237 /nfs/dbraw/zinc/07/02/37/953070237.db2.gz MRUQATHYUKUFMR-PIIMJCKOSA-N 1 0 382.468 1.087 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571213684 953096462 /nfs/dbraw/zinc/09/64/62/953096462.db2.gz UIBNPEIVHRXXGB-TVFCKZIOSA-N 1 0 382.468 1.515 20 0 GDADRO O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1)C12CC[NH+](CC1)C2 ZINC001571216875 953104641 /nfs/dbraw/zinc/10/46/41/953104641.db2.gz BKAUFFMQZAOJKQ-KBPBESRZSA-N 1 0 382.472 1.054 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[nH]n2)C1 ZINC001571216910 953104901 /nfs/dbraw/zinc/10/49/01/953104901.db2.gz BZWUKUCJUOZDQK-RKDXNWHRSA-N 1 0 382.881 1.084 20 0 GDADRO O=C(N1CCC[C@H](CNc2ncccc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001571219048 953122555 /nfs/dbraw/zinc/12/25/55/953122555.db2.gz SXBLKMQIUMAJBB-CQSZACIVSA-N 1 0 382.472 1.008 20 0 GDADRO COCc1nocc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571219169 953123636 /nfs/dbraw/zinc/12/36/36/953123636.db2.gz LAPPYBSKIBNQRZ-BETUJISGSA-N 1 0 383.412 1.052 20 0 GDADRO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1F ZINC001571229225 953168284 /nfs/dbraw/zinc/16/82/84/953168284.db2.gz BESNLQNUWRRLDA-CQSZACIVSA-N 1 0 383.431 1.894 20 0 GDADRO Cn1cccc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571229726 953171689 /nfs/dbraw/zinc/17/16/89/953171689.db2.gz LFFAIOJPUCSXKI-NNUKFRKNSA-N 1 0 383.431 1.643 20 0 GDADRO Cc1cc(N2CCC(NC(=O)[C@H]3C[C@]34CCOC4)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232877 953188976 /nfs/dbraw/zinc/18/89/76/953188976.db2.gz LQDCGHCPBQIMHO-BEFAXECRSA-N 1 0 383.456 1.082 20 0 GDADRO CC(C)(C)n1cc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cn1 ZINC001571233076 953189981 /nfs/dbraw/zinc/18/99/81/953189981.db2.gz OAEIFUGVKOANHH-CQSZACIVSA-N 1 0 383.460 1.151 20 0 GDADRO CC(C)(C)n1cc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cn1 ZINC001571233075 953190105 /nfs/dbraw/zinc/19/01/05/953190105.db2.gz OAEIFUGVKOANHH-AWEZNQCLSA-N 1 0 383.460 1.151 20 0 GDADRO CN(C(=O)Cc1cncs1)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571233813 953196037 /nfs/dbraw/zinc/19/60/37/953196037.db2.gz FBRHTHYNOMKCKX-HNNXBMFYSA-N 1 0 383.481 1.599 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001571233901 953196851 /nfs/dbraw/zinc/19/68/51/953196851.db2.gz HKHLHSOTFMZLGM-UBHSHLNASA-N 1 0 383.481 1.864 20 0 GDADRO Cc1ncc(C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)s1 ZINC001571234056 953198624 /nfs/dbraw/zinc/19/86/24/953198624.db2.gz MAEYRZKRNWDHNR-UHFFFAOYSA-N 1 0 383.481 1.930 20 0 GDADRO O=C(CCc1nccs1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234260 953200233 /nfs/dbraw/zinc/20/02/33/953200233.db2.gz RDGOBAUFEINZHR-HNNXBMFYSA-N 1 0 383.481 1.647 20 0 GDADRO Cn1nccc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571234331 953201499 /nfs/dbraw/zinc/20/14/99/953201499.db2.gz UMNPCCBXEGYJSL-SWLSCSKDSA-N 1 0 383.460 1.007 20 0 GDADRO CCc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571234412 953202255 /nfs/dbraw/zinc/20/22/55/953202255.db2.gz WULACVBXDJMJIM-HDJSIYSDSA-N 1 0 383.481 1.936 20 0 GDADRO C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571239435 953239245 /nfs/dbraw/zinc/23/92/45/953239245.db2.gz LPFICQAMMDJJNJ-SMDDNHRTSA-N 1 0 384.419 1.227 20 0 GDADRO CN(C(=O)Cc1cnc[nH]1)[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239947 953244980 /nfs/dbraw/zinc/24/49/80/953244980.db2.gz VGBBZCUHYXZZNP-HNNXBMFYSA-N 1 0 384.419 1.004 20 0 GDADRO O=C(c1cnn(CCF)c1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571241618 953248357 /nfs/dbraw/zinc/24/83/57/953248357.db2.gz GNWKEUDHYWKTGW-INIZCTEOSA-N 1 0 384.419 1.037 20 0 GDADRO Cn1nccc1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571241754 953249902 /nfs/dbraw/zinc/24/99/02/953249902.db2.gz KQSMAVCCWOGMAJ-ZDUSSCGKSA-N 1 0 384.419 1.134 20 0 GDADRO Cc1cc(NC2CCC(NC(=O)c3cncs3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571244747 953266356 /nfs/dbraw/zinc/26/63/56/953266356.db2.gz HJQFMBFFTGLXTR-UHFFFAOYSA-N 1 0 384.469 1.602 20 0 GDADRO CN(C(=O)c1cccnn1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571245274 953272305 /nfs/dbraw/zinc/27/23/05/953272305.db2.gz RFMWZBOOYUUPGO-UHFFFAOYSA-N 1 0 384.469 1.455 20 0 GDADRO O=C(c1cccs1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571246178 953280664 /nfs/dbraw/zinc/28/06/64/953280664.db2.gz VNIVSGXFXRXUFP-OAHLLOKOSA-N 1 0 384.465 1.559 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](C)C2)oc1C ZINC001571247547 953283245 /nfs/dbraw/zinc/28/32/45/953283245.db2.gz ALUUYSYCMBMJAI-QMTHXVAHSA-N 1 0 384.444 1.583 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cccnn1 ZINC001571247566 953283444 /nfs/dbraw/zinc/28/34/44/953283444.db2.gz AHNTUPLEEHALJN-CHWSQXEVSA-N 1 0 384.469 1.549 20 0 GDADRO CO[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001571247556 953283648 /nfs/dbraw/zinc/28/36/48/953283648.db2.gz AFNQVWUPXFMEBX-SFHVURJKSA-N 1 0 384.484 1.716 20 0 GDADRO CO[C@@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571247984 953288116 /nfs/dbraw/zinc/28/81/16/953288116.db2.gz KJYIBBZIYOEPIW-QZTJIDSGSA-N 1 0 384.484 1.762 20 0 GDADRO CN(C(=O)C[C@H]1CCOC1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571247968 953288457 /nfs/dbraw/zinc/28/84/57/953288457.db2.gz JPHPEMOHEHUNGG-MRXNPFEDSA-N 1 0 384.484 1.716 20 0 GDADRO Cc1nocc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571248938 953298843 /nfs/dbraw/zinc/29/88/43/953298843.db2.gz MHTFHBFJIFQQFT-MLGOLLRUSA-N 1 0 384.444 1.664 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001571249266 953302475 /nfs/dbraw/zinc/30/24/75/953302475.db2.gz GZHRWSLAILQHSO-SHTZXODSSA-N 1 0 384.488 1.441 20 0 GDADRO O=C(CC[C@@H]1CCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571249211 953302735 /nfs/dbraw/zinc/30/27/35/953302735.db2.gz FXVVSGMPDNIAQS-SJLPKXTDSA-N 1 0 384.484 1.764 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001571252007 953321821 /nfs/dbraw/zinc/32/18/21/953321821.db2.gz FBFJEFMIUAGSSY-GDBMZVCRSA-N 1 0 384.488 1.092 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C(C)(C)C1 ZINC001571252086 953323084 /nfs/dbraw/zinc/32/30/84/953323084.db2.gz GVIVLPAHIDGKCA-JKSUJKDBSA-N 1 0 384.488 1.395 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NC2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001571252698 953331779 /nfs/dbraw/zinc/33/17/79/953331779.db2.gz UJGNAKKDNRFOJF-XSCHDIRWSA-N 1 0 384.488 1.217 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[nH]n4)nc3)C2)CC[N@@H+]1C ZINC001571252699 953331852 /nfs/dbraw/zinc/33/18/52/953331852.db2.gz UKQUOTIKJRVLRF-NZUILWFCSA-N 1 0 384.488 1.299 20 0 GDADRO CN(c1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001571252740 953332841 /nfs/dbraw/zinc/33/28/41/953332841.db2.gz VJPRKNUVTWMTOF-MRXNPFEDSA-N 1 0 384.488 1.031 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NCC2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571252876 953333918 /nfs/dbraw/zinc/33/39/18/953333918.db2.gz XQPAHENJNLMDSN-WLYUNCDWSA-N 1 0 384.488 1.219 20 0 GDADRO Cc1conc1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@H]1C ZINC001571253869 953335010 /nfs/dbraw/zinc/33/50/10/953335010.db2.gz AANACSRYCBTLKT-ABAIWWIYSA-N 1 0 385.403 1.695 20 0 GDADRO C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)c1ccncc1Cl ZINC001571254467 953339225 /nfs/dbraw/zinc/33/92/25/953339225.db2.gz DISPYPHKQXQRGZ-WDEREUQCSA-N 1 0 384.831 1.447 20 0 GDADRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1)c1cocn1 ZINC001571255341 953347755 /nfs/dbraw/zinc/34/77/55/953347755.db2.gz NSVQFAGRLUHNGT-HDJSIYSDSA-N 1 0 385.403 1.825 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)no1 ZINC001571255966 953359900 /nfs/dbraw/zinc/35/99/00/953359900.db2.gz XBLVOPKQUONLOB-CQSZACIVSA-N 1 0 385.403 1.697 20 0 GDADRO Cn1nc(C(=O)[O-])cc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001119096606 957183809 /nfs/dbraw/zinc/18/38/09/957183809.db2.gz HGWLRPVRJQBFBF-UHFFFAOYSA-N 1 0 379.505 1.034 20 0 GDADRO CC(C)(C)OC(=O)NC1(CC[NH2+]C2CC[NH+](CC(=O)[O-])CC2)CCOCC1 ZINC001588707796 960881112 /nfs/dbraw/zinc/88/11/12/960881112.db2.gz KDZHYXCPVAUAQH-UHFFFAOYSA-N 1 0 385.505 1.589 20 0 GDADRO CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)[NH+]1CCc2ccccc2C1 ZINC001595147518 979628085 /nfs/dbraw/zinc/62/80/85/979628085.db2.gz SVAUOUMLAFAJFO-MOPGFXCFSA-N 1 0 388.512 1.481 20 0 GDADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1)c1ccco1 ZINC001594995221 982889689 /nfs/dbraw/zinc/88/96/89/982889689.db2.gz UKSPSZXXBTVGKO-LSDHHAIUSA-N 1 0 380.489 1.899 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC001594515367 985870868 /nfs/dbraw/zinc/87/08/68/985870868.db2.gz HLCWKDJGSRKLFM-SJLPKXTDSA-N 1 0 376.501 1.350 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC001594519416 985952889 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C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000062587242 530743560 /nfs/dbraw/zinc/74/35/60/530743560.db2.gz BPEYGEKFXZANCT-SNVBAGLBSA-N 1 0 389.237 1.686 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000178506498 530722041 /nfs/dbraw/zinc/72/20/41/530722041.db2.gz JTKOZRCVIDPEOH-JTQLQIEISA-N 1 0 394.273 1.253 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179555169 530744271 /nfs/dbraw/zinc/74/42/71/530744271.db2.gz CASVOYNUGBKNOC-LLVKDONJSA-N 1 0 389.315 1.924 20 0 GDADRO CC(=O)Nc1ccccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000178666847 530725700 /nfs/dbraw/zinc/72/57/00/530725700.db2.gz DEZJCXAMXAZIDI-UHFFFAOYSA-N 1 0 375.441 1.999 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000057554551 530726618 /nfs/dbraw/zinc/72/66/18/530726618.db2.gz UHFSZKLFKGBWKV-VHSXEESVSA-N 1 0 386.315 1.982 20 0 GDADRO C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000058101441 530730079 /nfs/dbraw/zinc/73/00/79/530730079.db2.gz VFHABZVBNKJDNK-NSHDSACASA-N 1 0 392.319 1.136 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000178947149 530731844 /nfs/dbraw/zinc/73/18/44/530731844.db2.gz VGIPGKJDJPVHHK-CYBMUJFWSA-N 1 0 385.917 1.854 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000179017752 530733489 /nfs/dbraw/zinc/73/34/89/530733489.db2.gz IHEMLAZCEZSCBA-SNVBAGLBSA-N 1 0 375.288 1.534 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000179012245 530733549 /nfs/dbraw/zinc/73/35/49/530733549.db2.gz MJBJFPZAHMVGQZ-LBPRGKRZSA-N 1 0 393.285 1.617 20 0 GDADRO CCCCS(=O)(=O)N1CCC(C(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000058882863 530734023 /nfs/dbraw/zinc/73/40/23/530734023.db2.gz UBDNYQFACIBRMS-UHFFFAOYSA-N 1 0 375.579 1.875 20 0 GDADRO COc1cc(I)c(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000179102858 530735367 /nfs/dbraw/zinc/73/53/67/530735367.db2.gz WRAPSIVLRNHZPJ-SECBINFHSA-N 1 0 390.221 1.742 20 0 GDADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1CCSCC1 ZINC000064270543 530749581 /nfs/dbraw/zinc/74/95/81/530749581.db2.gz GDIJMEJHAACFSQ-UHFFFAOYSA-N 1 0 379.551 1.792 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000179774586 530749917 /nfs/dbraw/zinc/74/99/17/530749917.db2.gz GRYAWXMDQLJMKC-UHFFFAOYSA-N 1 0 387.278 1.176 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000065936870 530757105 /nfs/dbraw/zinc/75/71/05/530757105.db2.gz FPSJHQLVERXPLT-UHFFFAOYSA-N 1 0 385.873 1.784 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000180298076 530763263 /nfs/dbraw/zinc/76/32/63/530763263.db2.gz TVYPBAZBWQNIDI-UHFFFAOYSA-N 1 0 377.304 1.924 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Br)n1 ZINC000179644287 530746360 /nfs/dbraw/zinc/74/63/60/530746360.db2.gz NEIPSRAHAPBIJV-GFCCVEGCSA-N 1 0 381.274 1.788 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1cccnc1Br ZINC000179748723 530749118 /nfs/dbraw/zinc/74/91/18/530749118.db2.gz KLFFPFMFHIEUGX-LBPRGKRZSA-N 1 0 399.289 1.136 20 0 GDADRO O=S(=O)(NCCN1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC000064352437 530749148 /nfs/dbraw/zinc/74/91/48/530749148.db2.gz PDCUEEJSRCVYHD-UHFFFAOYSA-N 1 0 379.551 1.887 20 0 GDADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000066981277 530771200 /nfs/dbraw/zinc/77/12/00/530771200.db2.gz QCUOFCYQTLYHBE-UHFFFAOYSA-N 1 0 394.273 1.641 20 0 GDADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000180764587 530771400 /nfs/dbraw/zinc/77/14/00/530771400.db2.gz WFVBLBMUXWXTMM-GXFFZTMASA-N 1 0 379.404 1.409 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000066620723 530764691 /nfs/dbraw/zinc/76/46/91/530764691.db2.gz XKYJAAUWWRQSTF-LBPRGKRZSA-N 1 0 380.286 1.779 20 0 GDADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000180353022 530765161 /nfs/dbraw/zinc/76/51/61/530765161.db2.gz JZGXKRIGTRKFDJ-UHFFFAOYSA-N 1 0 399.289 1.075 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000182269154 530797128 /nfs/dbraw/zinc/79/71/28/530797128.db2.gz CRPYQEKQSOYAMS-TZMCWYRMSA-N 1 0 386.543 1.282 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cnc1Br ZINC000182681793 530802777 /nfs/dbraw/zinc/80/27/77/530802777.db2.gz SGXYGFBJGJJZED-NSHDSACASA-N 1 0 383.290 1.939 20 0 GDADRO CCCCS(=O)(=O)N1CCC(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000072012926 530805049 /nfs/dbraw/zinc/80/50/49/530805049.db2.gz MHRXJWYWMFOVBJ-KRWDZBQOSA-N 1 0 375.579 1.921 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCCCC[NH+]1CCOCC1 ZINC000071960127 530805176 /nfs/dbraw/zinc/80/51/76/530805176.db2.gz XTGDEBAARSKDLJ-UHFFFAOYSA-N 1 0 388.295 1.952 20 0 GDADRO CC(C)[NH+](CCCNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)C(C)C ZINC000072517564 530806742 /nfs/dbraw/zinc/80/67/42/530806742.db2.gz URIWVPJIRGSQQZ-UHFFFAOYSA-N 1 0 376.567 1.561 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181694124 530789619 /nfs/dbraw/zinc/78/96/19/530789619.db2.gz QLSRYBKDOPESGG-DGCLKSJQSA-N 1 0 378.491 1.304 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000068800738 530790491 /nfs/dbraw/zinc/79/04/91/530790491.db2.gz WPKQXNKQRQVAAD-UHFFFAOYSA-N 1 0 387.933 1.951 20 0 GDADRO NC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000181921647 530791811 /nfs/dbraw/zinc/79/18/11/530791811.db2.gz BHWCNLHNRWSXMY-AWEZNQCLSA-N 1 0 384.274 1.648 20 0 GDADRO NC(=O)C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000181956207 530792773 /nfs/dbraw/zinc/79/27/73/530792773.db2.gz NMRITTNYOLSGGS-HIFRSBDPSA-N 1 0 384.274 1.236 20 0 GDADRO CCC[N@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000069092758 530794647 /nfs/dbraw/zinc/79/46/47/530794647.db2.gz KZMGQQFDFJLYRU-UHFFFAOYSA-N 1 0 389.905 1.641 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000069144368 530796079 /nfs/dbraw/zinc/79/60/79/530796079.db2.gz PZNYOLDHCTXWNR-CHWSQXEVSA-N 1 0 378.288 1.356 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000184335890 530827406 /nfs/dbraw/zinc/82/74/06/530827406.db2.gz YQRGGEGPEFYYDM-UHFFFAOYSA-N 1 0 399.282 1.189 20 0 GDADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000102924220 530831594 /nfs/dbraw/zinc/83/15/94/530831594.db2.gz IIROILKSFGCCFV-NSHDSACASA-N 1 0 384.274 1.889 20 0 GDADRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc(Br)cc1F ZINC000184877305 530833079 /nfs/dbraw/zinc/83/30/79/530833079.db2.gz WWHXNPJTSUFZOI-UHFFFAOYSA-N 1 0 395.294 1.571 20 0 GDADRO Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103162573 530833577 /nfs/dbraw/zinc/83/35/77/530833577.db2.gz IPTYISHOLLUSMT-UHFFFAOYSA-N 1 0 385.917 1.577 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000103453873 530834904 /nfs/dbraw/zinc/83/49/04/530834904.db2.gz JSKPHFIHWTTYJV-UHFFFAOYSA-N 1 0 387.933 1.809 20 0 GDADRO CN(CC(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(=O)c1ccc(Br)s1 ZINC000184996093 530835196 /nfs/dbraw/zinc/83/51/96/530835196.db2.gz GSYJJDPVIKYXEC-GMTAPVOTSA-N 1 0 386.315 1.778 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C)CC1 ZINC000103498293 530835866 /nfs/dbraw/zinc/83/58/66/530835866.db2.gz QSAJSAJJIZRTIJ-UHFFFAOYSA-N 1 0 387.933 1.823 20 0 GDADRO COc1ccc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)nc1Br ZINC000183118883 530809017 /nfs/dbraw/zinc/80/90/17/530809017.db2.gz ZYHQDULSUZBRFA-LBPRGKRZSA-N 1 0 385.306 1.466 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)NCC[C@H](C)[NH3+])cc1Br ZINC000183138974 530809908 /nfs/dbraw/zinc/80/99/08/530809908.db2.gz CVEUAWKOXBFPMQ-VIFPVBQESA-N 1 0 378.292 1.732 20 0 GDADRO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccccc1I)C(C)C ZINC000183659121 530818636 /nfs/dbraw/zinc/81/86/36/530818636.db2.gz DULFQVKEWDUUJS-ZDUSSCGKSA-N 1 0 389.237 1.590 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000096999666 530819233 /nfs/dbraw/zinc/81/92/33/530819233.db2.gz BHNWPTCYMKGQLB-ZDUSSCGKSA-N 1 0 383.543 1.243 20 0 GDADRO NS(=O)(=O)c1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000097079097 530819966 /nfs/dbraw/zinc/81/99/66/530819966.db2.gz REAWSSKBWWXRDV-UHFFFAOYSA-N 1 0 381.420 1.425 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)c1nc2ncc(Br)cn2n1)c1cccs1 ZINC000097272293 530820932 /nfs/dbraw/zinc/82/09/32/530820932.db2.gz HWMHDHIEGFXLAN-JTQLQIEISA-N 1 0 395.286 1.981 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nc2ncc(Br)cn2n1 ZINC000098035781 530822523 /nfs/dbraw/zinc/82/25/23/530822523.db2.gz RBGHZKOYPXYJLM-NSHDSACASA-N 1 0 381.278 1.881 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C[NH2+]C(C)(C)CC(N)=O ZINC000186230386 530853971 /nfs/dbraw/zinc/85/39/71/530853971.db2.gz FEOUZCGWBDCRGT-UHFFFAOYSA-N 1 0 389.237 1.782 20 0 GDADRO C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C[C@H]1CCCOC1 ZINC000107695179 530854629 /nfs/dbraw/zinc/85/46/29/530854629.db2.gz PHUYFTAYVQBEPM-CYBMUJFWSA-N 1 0 398.301 1.862 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000109182449 530861613 /nfs/dbraw/zinc/86/16/13/530861613.db2.gz JLMJIEOBIYRKNZ-OAHLLOKOSA-N 1 0 398.301 1.597 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)ccn1 ZINC000186764016 530861871 /nfs/dbraw/zinc/86/18/71/530861871.db2.gz YDJHFVKJESWRLE-CYBMUJFWSA-N 1 0 380.495 1.357 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cncc(Br)c2)CC1 ZINC000109261871 530862196 /nfs/dbraw/zinc/86/21/96/530862196.db2.gz KISJSIMQPDCBPP-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)s1 ZINC000186779873 530862258 /nfs/dbraw/zinc/86/22/58/530862258.db2.gz QWEBAPFXFBDGKD-AWEZNQCLSA-N 1 0 387.571 1.970 20 0 GDADRO COc1ccc(CCC(=O)N2CCN(C[C@@H](C)O)CC2)cc1Br ZINC000186831098 530863211 /nfs/dbraw/zinc/86/32/11/530863211.db2.gz UZLFEQZOQJRUBX-CYBMUJFWSA-N 1 0 385.302 1.915 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000110447248 530867473 /nfs/dbraw/zinc/86/74/73/530867473.db2.gz PAGPAVNMTCVIFS-LBPRGKRZSA-N 1 0 398.301 1.775 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000187393974 530871752 /nfs/dbraw/zinc/87/17/52/530871752.db2.gz KCGLBPUFHGCGJS-CYBMUJFWSA-N 1 0 397.317 1.530 20 0 GDADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000104314805 530837713 /nfs/dbraw/zinc/83/77/13/530837713.db2.gz MHLLEYDRIWSSOJ-UHFFFAOYSA-N 1 0 387.571 1.997 20 0 GDADRO COc1ccc(C[C@@H](C)C[NH2+]CCS(=O)(=O)N2CCSCC2)cc1F ZINC000185287179 530839302 /nfs/dbraw/zinc/83/93/02/530839302.db2.gz UOMITQYKKLJQHK-CQSZACIVSA-N 1 0 390.546 1.981 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000185311688 530839677 /nfs/dbraw/zinc/83/96/77/530839677.db2.gz JJMDYNQUMRVLJE-CQSZACIVSA-N 1 0 387.933 1.256 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CSc1nnnn1CC(F)(F)F)c1cccs1 ZINC000106010053 530845261 /nfs/dbraw/zinc/84/52/61/530845261.db2.gz LKHGILHTYKBUPY-SECBINFHSA-N 1 0 394.448 1.808 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C ZINC000106100706 530846036 /nfs/dbraw/zinc/84/60/36/530846036.db2.gz KGFQEZYQBSFCNC-NWDGAFQWSA-N 1 0 388.281 1.914 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccc(Br)n2)CC1 ZINC000188640068 530897872 /nfs/dbraw/zinc/89/78/72/530897872.db2.gz NZOBTIWICVJBMK-GFCCVEGCSA-N 1 0 396.289 1.614 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2cc(I)c[nH]2)CC1 ZINC000115332545 530898870 /nfs/dbraw/zinc/89/88/70/530898870.db2.gz RNBVGJWEGRWTGZ-UHFFFAOYSA-N 1 0 390.269 1.377 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000189325820 530911472 /nfs/dbraw/zinc/91/14/72/530911472.db2.gz AOAKIEUKMRKRPL-MWLCHTKSSA-N 1 0 393.303 1.885 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000115441041 530899745 /nfs/dbraw/zinc/89/97/45/530899745.db2.gz GHMSHOKYRHXGCS-AWEZNQCLSA-N 1 0 387.933 1.809 20 0 GDADRO CN1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCC1=O ZINC000188741316 530899971 /nfs/dbraw/zinc/89/99/71/530899971.db2.gz SVUYRWYCQRNHMP-OAHLLOKOSA-N 1 0 382.302 1.996 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188863046 530902602 /nfs/dbraw/zinc/90/26/02/530902602.db2.gz DZCNFXIAVYZLRE-SNVBAGLBSA-N 1 0 386.315 1.936 20 0 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COC[C@H](O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000117946160 530915341 /nfs/dbraw/zinc/91/53/41/530915341.db2.gz CIQAHNWFZGQCFB-SNVBAGLBSA-N 1 0 381.210 1.405 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(I)c1 ZINC000118122279 530916711 /nfs/dbraw/zinc/91/67/11/530916711.db2.gz DPMRICQVQYCKRV-UHFFFAOYSA-N 1 0 389.237 1.686 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(OC)cc1Br)C1CC1 ZINC000118121243 530916743 /nfs/dbraw/zinc/91/67/43/530916743.db2.gz NNUMYWFKZBZEDI-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000118897249 530919511 /nfs/dbraw/zinc/91/95/11/530919511.db2.gz FRRYYGGOSPGZKQ-UHFFFAOYSA-N 1 0 384.274 1.351 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CC1(O)CCOCC1 ZINC000189793059 530921440 /nfs/dbraw/zinc/92/14/40/530921440.db2.gz GBVGEDGCEXGXBM-UHFFFAOYSA-N 1 0 391.331 1.942 20 0 GDADRO CSCC[C@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1Br ZINC000119413918 530925257 /nfs/dbraw/zinc/92/52/57/530925257.db2.gz SWPBXTPOFYJITB-JQWIXIFHSA-N 1 0 377.304 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COC(=O)[C@@H](c1cccc(Br)c1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000120616968 530943217 /nfs/dbraw/zinc/94/32/17/530943217.db2.gz VUUUEOCLSWREHU-MRXNPFEDSA-N 1 0 398.301 1.369 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191201190 530944370 /nfs/dbraw/zinc/94/43/70/530944370.db2.gz QDEIHMUQDOESOZ-VIFPVBQESA-N 1 0 376.201 1.876 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000120871682 530946342 /nfs/dbraw/zinc/94/63/42/530946342.db2.gz XSBSTBDVPIFZGX-AWEZNQCLSA-N 1 0 381.274 1.398 20 0 GDADRO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cncs3)CC2)cc1 ZINC000120986532 530948620 /nfs/dbraw/zinc/94/86/20/530948620.db2.gz KCRVVRVFMQRFRL-UHFFFAOYSA-N 1 0 380.495 1.641 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)[C@H](C)[NH+](C)C)c1 ZINC000121023333 530949280 /nfs/dbraw/zinc/94/92/80/530949280.db2.gz LYCFKVJGHBOESL-QMMMGPOBSA-N 1 0 376.194 1.966 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c1 ZINC000121949165 530965284 /nfs/dbraw/zinc/96/52/84/530965284.db2.gz 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C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193264006 530982207 /nfs/dbraw/zinc/98/22/07/530982207.db2.gz TXVWIHHOXIWTQW-UHFFFAOYSA-N 1 0 399.289 1.088 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(OC)c(Br)cc2OC)C1 ZINC000193267788 530982635 /nfs/dbraw/zinc/98/26/35/530982635.db2.gz YBIYVVKJFOUJRJ-SNVBAGLBSA-N 1 0 393.303 1.696 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000193266668 530982904 /nfs/dbraw/zinc/98/29/04/530982904.db2.gz DHIJKKUAAJQVMN-SECBINFHSA-N 1 0 381.267 1.875 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])sc1Cl ZINC000193317128 530984357 /nfs/dbraw/zinc/98/43/57/530984357.db2.gz YYYXOAKSEVCZCA-NSHDSACASA-N 1 0 379.935 1.718 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)c3cccn4c(I)cnc34)C[C@H]2C1 ZINC000192469027 530968352 /nfs/dbraw/zinc/96/83/52/530968352.db2.gz USEUHPPBPDJCOQ-PHIMTYICSA-N 1 0 396.232 1.573 20 0 GDADRO Cc1cc(F)c(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1F ZINC000122326787 530969685 /nfs/dbraw/zinc/96/96/85/530969685.db2.gz ANACGTVXGBUBNF-MRXNPFEDSA-N 1 0 375.485 1.824 20 0 GDADRO CS(=O)(=O)N1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000193722511 530992061 /nfs/dbraw/zinc/99/20/61/530992061.db2.gz RDGAESVPYCUXRS-HNNXBMFYSA-N 1 0 376.906 1.185 20 0 GDADRO CCn1cc(Br)cc1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000193703033 530992109 /nfs/dbraw/zinc/99/21/09/530992109.db2.gz AWDWWJYUTOKSHE-CYBMUJFWSA-N 1 0 385.306 1.730 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000124319948 530993774 /nfs/dbraw/zinc/99/37/74/530993774.db2.gz HEMWITSCLYGRPM-UHFFFAOYSA-N 1 0 384.274 1.950 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000194018296 530998246 /nfs/dbraw/zinc/99/82/46/530998246.db2.gz BIKOSUFQHDKHNT-QWHCGFSZSA-N 1 0 398.301 1.092 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000193417800 530986298 /nfs/dbraw/zinc/98/62/98/530986298.db2.gz PKJDBDQQMKQJGS-GXSJLCMTSA-N 1 0 393.303 1.743 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccc(I)c1 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[NH3+]C[C@H]1CN(C(=O)Nc2nnc(SCc3ccccc3)s2)CCCO1 ZINC000414698911 531462805 /nfs/dbraw/zinc/46/28/05/531462805.db2.gz DKDZCPTUWJURIR-ZDUSSCGKSA-N 1 0 379.511 2.412 20 0 GDADRO Cc1nn(C)c(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1Br ZINC000414977726 531464426 /nfs/dbraw/zinc/46/44/26/531464426.db2.gz RPGBECOCROQVMT-NSHDSACASA-N 1 0 384.244 1.417 20 0 GDADRO Cn1ncc(Br)c1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000486945500 531464949 /nfs/dbraw/zinc/46/49/49/531464949.db2.gz XHIPLLKXEGXGIU-CQSZACIVSA-N 1 0 375.336 1.480 20 0 GDADRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000538206866 531465776 /nfs/dbraw/zinc/46/57/76/531465776.db2.gz VVJUKYUBWBNPMD-CABCVRRESA-N 1 0 388.555 1.630 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362932448 531466010 /nfs/dbraw/zinc/46/60/10/531466010.db2.gz OCNGOUDSLGFEPK-CHWSQXEVSA-N 1 0 396.285 1.675 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000486987596 531466578 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C[C@H](C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449304288 531468801 /nfs/dbraw/zinc/46/88/01/531468801.db2.gz AJEFDNQVAPMPAT-UNEWFSDZSA-N 1 0 388.555 1.501 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000415266257 531469389 /nfs/dbraw/zinc/46/93/89/531469389.db2.gz GKSRJTMDBSWUTO-NSHDSACASA-N 1 0 382.251 2.067 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000449322865 531470160 /nfs/dbraw/zinc/47/01/60/531470160.db2.gz ZMIBFXPCKDLJTA-CQSZACIVSA-N 1 0 394.310 1.949 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)c(Br)c3)C2)CC1 ZINC000363054474 531470498 /nfs/dbraw/zinc/47/04/98/531470498.db2.gz SWDMOUNYROYAME-LBPRGKRZSA-N 1 0 383.290 1.448 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C1 ZINC000415269026 531470914 /nfs/dbraw/zinc/47/09/14/531470914.db2.gz KSCZPBOAUTVZEK-SNVBAGLBSA-N 1 0 383.239 1.462 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC)cc2Br)C1 ZINC000415280937 531471210 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GDADRO COc1cc(Br)cc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000415399425 531483403 /nfs/dbraw/zinc/48/34/03/531483403.db2.gz ROXAHIZGPVWJLY-NSHDSACASA-N 1 0 399.289 1.777 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415411159 531484289 /nfs/dbraw/zinc/48/42/89/531484289.db2.gz AWXSSUQHFGEMGR-SNVBAGLBSA-N 1 0 380.246 1.379 20 0 GDADRO [NH3+]CC[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(F)F ZINC000415408828 531484418 /nfs/dbraw/zinc/48/44/18/531484418.db2.gz SEMBUBHJHSNINA-NSHDSACASA-N 1 0 380.392 1.370 20 0 GDADRO C[N@H+](CCC(=O)NCCS(=O)(=O)N1CCSCC1)C1CCCCC1 ZINC000546016200 531493409 /nfs/dbraw/zinc/49/34/09/531493409.db2.gz QNSIEIGTVDFKIV-UHFFFAOYSA-N 1 0 377.576 1.136 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)CC[C@H]1[NH3+] ZINC000415429298 531484811 /nfs/dbraw/zinc/48/48/11/531484811.db2.gz DPHUAKUVPPLETJ-VHSXEESVSA-N 1 0 392.257 1.527 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)ccc1Br ZINC000415428542 531484970 /nfs/dbraw/zinc/48/49/70/531484970.db2.gz ABQCWOQGQGJACO-GFCCVEGCSA-N 1 0 386.246 1.274 20 0 GDADRO C[C@]1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCO[C@@H]1C1CC1 ZINC000544178488 531484956 /nfs/dbraw/zinc/48/49/56/531484956.db2.gz ODVFPTUISHEKFK-CVEARBPZSA-N 1 0 387.889 1.473 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)Nc2ccncc2I)CC1 ZINC000415429154 531485074 /nfs/dbraw/zinc/48/50/74/531485074.db2.gz RDNXUSNSQKADCN-UHFFFAOYSA-N 1 0 388.253 1.962 20 0 GDADRO COc1cc(CC(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000450112781 531485655 /nfs/dbraw/zinc/48/56/55/531485655.db2.gz JNSPYEDRHGJLEH-AWEZNQCLSA-N 1 0 388.917 1.468 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415435587 531486039 /nfs/dbraw/zinc/48/60/39/531486039.db2.gz ZKFCUZFMEPNKSS-LBPRGKRZSA-N 1 0 388.262 1.666 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc1Br ZINC000415440259 531486220 /nfs/dbraw/zinc/48/62/20/531486220.db2.gz NWKFRJHDQFRNNC-JTQLQIEISA-N 1 0 388.262 1.504 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000415552230 531493485 /nfs/dbraw/zinc/49/34/85/531493485.db2.gz AASCNLTVEAZIPG-UHFFFAOYSA-N 1 0 388.237 1.923 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[C@@H]1[NH3+] ZINC000415448624 531486668 /nfs/dbraw/zinc/48/66/68/531486668.db2.gz QTLYHNOTFJPLSM-CABZTGNLSA-N 1 0 381.274 1.856 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1)C1CC1 ZINC000415443430 531486838 /nfs/dbraw/zinc/48/68/38/531486838.db2.gz CPAYIHVAUCHYMN-CYBMUJFWSA-N 1 0 392.257 1.427 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[C@H]1[NH3+] ZINC000415445720 531486968 /nfs/dbraw/zinc/48/69/68/531486968.db2.gz OXYAFHQWBXMNJL-WRWORJQWSA-N 1 0 376.201 1.862 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000268233589 531487212 /nfs/dbraw/zinc/48/72/12/531487212.db2.gz SSQJSOVVRHLXPI-NHYWBVRUSA-N 1 0 380.286 1.778 20 0 GDADRO C[C@](O)(C[N@@H+]1CC[C@@](O)(C(N)=O)C1)c1ccc(Br)cc1Cl ZINC000294596993 531487572 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C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(I)c1 ZINC000415493562 531490978 /nfs/dbraw/zinc/49/09/78/531490978.db2.gz LXCRGQGLYKTOTQ-GFCCVEGCSA-N 1 0 387.221 1.440 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1cc(I)ccc1C ZINC000415506284 531490995 /nfs/dbraw/zinc/49/09/95/531490995.db2.gz KMDFPIJDGVDQFC-UHFFFAOYSA-N 1 0 377.226 1.957 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(I)c1 ZINC000415493563 531491198 /nfs/dbraw/zinc/49/11/98/531491198.db2.gz LXCRGQGLYKTOTQ-LBPRGKRZSA-N 1 0 387.221 1.440 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415527547 531491467 /nfs/dbraw/zinc/49/14/67/531491467.db2.gz KXENLXJHYVUXBQ-CQSZACIVSA-N 1 0 394.273 1.804 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415357069 531478403 /nfs/dbraw/zinc/47/84/03/531478403.db2.gz RMIFDTASFMQAHM-JTQLQIEISA-N 1 0 378.230 1.133 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c(Br)c1 ZINC000415671767 531511876 /nfs/dbraw/zinc/51/18/76/531511876.db2.gz DOAZEUQDZCGXMD-LLVKDONJSA-N 1 0 384.274 1.984 20 0 GDADRO Cc1nc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(Br)s1 ZINC000557632559 531512853 /nfs/dbraw/zinc/51/28/53/531512853.db2.gz BIDTXIYMVUZBQH-JTQLQIEISA-N 1 0 375.336 1.827 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000415682215 531514166 /nfs/dbraw/zinc/51/41/66/531514166.db2.gz UZKHIYBNRGPCHD-LBPRGKRZSA-N 1 0 380.286 1.926 20 0 GDADRO COC(=O)c1cc(NC(=O)N2CCO[C@@H](C[NH3+])C2)c(C)cc1Br ZINC000415701589 531515475 /nfs/dbraw/zinc/51/54/75/531515475.db2.gz BWPTXXUDAOCPNI-JTQLQIEISA-N 1 0 386.246 1.736 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1Br ZINC000415696043 531515560 /nfs/dbraw/zinc/51/55/60/531515560.db2.gz UADAWYYLQPLOKS-KRWDZBQOSA-N 1 0 397.317 1.647 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000415697774 531515679 /nfs/dbraw/zinc/51/56/79/531515679.db2.gz XCLGTHQIARVBOK-INIZCTEOSA-N 1 0 392.257 1.528 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2cccc(C)c2Br)CCC[NH2+]1 ZINC000415703429 531516935 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COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415558717 531494450 /nfs/dbraw/zinc/49/44/50/531494450.db2.gz JUQAKCRUWGCHKW-WDEREUQCSA-N 1 0 384.274 1.900 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)[C@@H](C)C[NH2+]1 ZINC000415556532 531494777 /nfs/dbraw/zinc/49/47/77/531494777.db2.gz IJEZHUAUQOGVRF-UWVGGRQHSA-N 1 0 381.274 1.869 20 0 GDADRO CS(=O)(=O)Nc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Cl ZINC000363629436 531495468 /nfs/dbraw/zinc/49/54/68/531495468.db2.gz YFFVIFZCBKYHRJ-QWHCGFSZSA-N 1 0 387.889 1.305 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415561475 531495617 /nfs/dbraw/zinc/49/56/17/531495617.db2.gz WOBBJJPCSWLPKF-SSDOTTSWSA-N 1 0 395.628 1.737 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415561491 531495829 /nfs/dbraw/zinc/49/58/29/531495829.db2.gz WOVJQQYPFFXBOK-VIFPVBQESA-N 1 0 386.246 1.418 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415570743 531496645 /nfs/dbraw/zinc/49/66/45/531496645.db2.gz SROAOJBBRDEYHU-JGVFFNPUSA-N 1 0 376.201 1.875 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415572372 531497252 /nfs/dbraw/zinc/49/72/52/531497252.db2.gz SNGMYZOMPUAUMU-UHFFFAOYSA-N 1 0 395.628 1.738 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])c(I)c1 ZINC000415578603 531497508 /nfs/dbraw/zinc/49/75/08/531497508.db2.gz PHPACZFLYPRBMF-QMMMGPOBSA-N 1 0 391.209 1.092 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000294821719 531500077 /nfs/dbraw/zinc/50/00/77/531500077.db2.gz MVEXBKOTTMLNSD-CQSZACIVSA-N 1 0 387.933 1.677 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)Nc2cc3ccc(Br)cn3n2)CC1 ZINC000415588720 531500167 /nfs/dbraw/zinc/50/01/67/531500167.db2.gz YAWYCGGPBJUQII-UHFFFAOYSA-N 1 0 396.289 2.459 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CCC[NH2+]1 ZINC000415711513 531518940 /nfs/dbraw/zinc/51/89/40/531518940.db2.gz SLOAZZHSVHIOMX-MRXNPFEDSA-N 1 0 380.495 1.695 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000415600182 531501820 /nfs/dbraw/zinc/50/18/20/531501820.db2.gz SNXIZPZVBQJGAG-UHFFFAOYSA-N 1 0 382.258 1.741 20 0 GDADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000294841762 531501849 /nfs/dbraw/zinc/50/18/49/531501849.db2.gz RCSGKBJZULRQHH-QGZVFWFLSA-N 1 0 383.901 1.782 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC000415599411 531501959 /nfs/dbraw/zinc/50/19/59/531501959.db2.gz MFPRVXVMYLQURG-SECBINFHSA-N 1 0 397.298 1.898 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)NCc1cc(Cl)cc(I)c1 ZINC000581606467 531503851 /nfs/dbraw/zinc/50/38/51/531503851.db2.gz NOFXWPBZKJEXPH-GFCCVEGCSA-N 1 0 394.640 1.939 20 0 GDADRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280501446 531504484 /nfs/dbraw/zinc/50/44/84/531504484.db2.gz DUFIIYHWPWVDRI-QMTHXVAHSA-N 1 0 395.319 1.535 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415626838 531504883 /nfs/dbraw/zinc/50/48/83/531504883.db2.gz RNHYOUIDIXTEAQ-KOLCDFICSA-N 1 0 381.889 1.855 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415627141 531505229 /nfs/dbraw/zinc/50/52/29/531505229.db2.gz RRIHGAMPAXJHNP-GWCFXTLKSA-N 1 0 384.274 1.901 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415627145 531505317 /nfs/dbraw/zinc/50/53/17/531505317.db2.gz RRIHGAMPAXJHNP-MFKMUULPSA-N 1 0 384.274 1.901 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)C12CCC[NH+](CCC1)C2 ZINC000635722676 531505353 /nfs/dbraw/zinc/50/53/53/531505353.db2.gz CIWHCJGXNGRVMA-UHFFFAOYSA-N 1 0 391.946 1.672 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415632932 531506438 /nfs/dbraw/zinc/50/64/38/531506438.db2.gz YJMRQYXTNCGNBJ-QMMMGPOBSA-N 1 0 390.209 1.485 20 0 GDADRO CC[NH2+]CCCNC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000557013305 531506803 /nfs/dbraw/zinc/50/68/03/531506803.db2.gz IAVOEBHFYXENNG-UHFFFAOYSA-N 1 0 386.294 1.802 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415644136 531506893 /nfs/dbraw/zinc/50/68/93/531506893.db2.gz UJMHZSBBJRDWMW-LURJTMIESA-N 1 0 399.167 1.187 20 0 GDADRO CCOC(=O)c1nc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)sc1C(C)=O ZINC000415632234 531507031 /nfs/dbraw/zinc/50/70/31/531507031.db2.gz OGYHGFHWHYQYBE-QMMMGPOBSA-N 1 0 376.385 1.641 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1c(Br)cc(F)cc1Br ZINC000415638516 531507205 /nfs/dbraw/zinc/50/72/05/531507205.db2.gz DOAGQIUFSJHBPX-YFKPBYRVSA-N 1 0 397.042 1.753 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCCCc1ccc(Br)cc1OC ZINC000581665883 531507559 /nfs/dbraw/zinc/50/75/59/531507559.db2.gz MCBGODYARDXREC-CYBMUJFWSA-N 1 0 387.274 1.787 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000268407546 531507867 /nfs/dbraw/zinc/50/78/67/531507867.db2.gz XNNPLHNZXYFDBJ-UHFFFAOYSA-N 1 0 389.905 1.643 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000658427556 531508689 /nfs/dbraw/zinc/50/86/89/531508689.db2.gz NEAXINLLKRCBOJ-UHFFFAOYSA-N 1 0 385.306 1.387 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[NH2+]1 ZINC000415649555 531509122 /nfs/dbraw/zinc/50/91/22/531509122.db2.gz ANLUVCBXNKMCNO-SFYZADRCSA-N 1 0 376.201 1.923 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000268418914 531509563 /nfs/dbraw/zinc/50/95/63/531509563.db2.gz CFLRSVRYFMHMDM-INIZCTEOSA-N 1 0 384.318 1.578 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)C[S@@](C)=O ZINC000294960935 531509807 /nfs/dbraw/zinc/50/98/07/531509807.db2.gz DWCPMRVXFXPNDT-NFULHVNHSA-N 1 0 391.331 1.819 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415661880 531510177 /nfs/dbraw/zinc/51/01/77/531510177.db2.gz UPTQVNMQCCEOCP-XCBNKYQSSA-N 1 0 376.201 1.780 20 0 GDADRO CN(C(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F)C1C[NH2+]C1 ZINC000415738737 531521845 /nfs/dbraw/zinc/52/18/45/531521845.db2.gz SYUZDISMAXHBCS-UHFFFAOYSA-N 1 0 396.163 1.716 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000415736817 531522098 /nfs/dbraw/zinc/52/20/98/531522098.db2.gz BSSUAVXOELKBTA-GXTWGEPZSA-N 1 0 396.285 1.901 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)C2C[NH2+]C2)nn1-c1ccc(Cl)cc1Cl ZINC000415749388 531524230 /nfs/dbraw/zinc/52/42/30/531524230.db2.gz ZQJODDULESPRKG-UHFFFAOYSA-N 1 0 382.251 1.856 20 0 GDADRO O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415760611 531525200 /nfs/dbraw/zinc/52/52/00/531525200.db2.gz MBFKCISQLQFRAG-GDGBQDQQSA-N 1 0 377.750 1.554 20 0 GDADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415762630 531525340 /nfs/dbraw/zinc/52/53/40/531525340.db2.gz PQSWNVKKQZHYNR-UHFFFAOYSA-N 1 0 389.237 1.863 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415796167 531532704 /nfs/dbraw/zinc/53/27/04/531532704.db2.gz XIIUDYSCYWACGX-RQJHMYQMSA-N 1 0 395.628 1.735 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415779379 531528690 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C[NH+](C)CCN1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000280777529 531538515 /nfs/dbraw/zinc/53/85/15/531538515.db2.gz KCLKISOCKBGSAO-UHFFFAOYSA-N 1 0 380.290 1.645 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CCO1 ZINC000659082512 531538756 /nfs/dbraw/zinc/53/87/56/531538756.db2.gz XQFKPRFNNKYHMJ-XCBNKYQSSA-N 1 0 392.200 1.240 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1F)C(F)(F)F ZINC000659088333 531540143 /nfs/dbraw/zinc/54/01/43/531540143.db2.gz GVTPGYAHYLPOQN-ZCFIWIBFSA-N 1 0 390.106 1.672 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415848232 531541656 /nfs/dbraw/zinc/54/16/56/531541656.db2.gz CSDZPFKZKMRKSI-JTQLQIEISA-N 1 0 388.237 1.411 20 0 GDADRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416004565 531553343 /nfs/dbraw/zinc/55/33/43/531553343.db2.gz IOXSKDCKIVYHDS-YPMHNXCESA-N 1 0 381.420 1.818 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000611946291 531544543 /nfs/dbraw/zinc/54/45/43/531544543.db2.gz ANAQHRVPPBVMIC-HNNXBMFYSA-N 1 0 382.302 1.708 20 0 GDADRO Cc1ccc(Br)nc1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364199277 531545211 /nfs/dbraw/zinc/54/52/11/531545211.db2.gz AZUPAUFLPUYGRG-UHFFFAOYSA-N 1 0 398.301 1.452 20 0 GDADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)cc2s1 ZINC000415862330 531545378 /nfs/dbraw/zinc/54/53/78/531545378.db2.gz PQLRJWJZMRVWNT-JTQLQIEISA-N 1 0 382.873 1.773 20 0 GDADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c1Br ZINC000415870057 531548066 /nfs/dbraw/zinc/54/80/66/531548066.db2.gz SGABMJMGWXAVOI-JTQLQIEISA-N 1 0 390.665 1.454 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415874317 531548834 /nfs/dbraw/zinc/54/88/34/531548834.db2.gz AOGOHEKJVCIMLW-UHFFFAOYSA-N 1 0 384.152 1.703 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659452602 531549375 /nfs/dbraw/zinc/54/93/75/531549375.db2.gz DCONBVIVTMIWOJ-UHFFFAOYSA-N 1 0 380.246 1.711 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000659676172 531550224 /nfs/dbraw/zinc/55/02/24/531550224.db2.gz FPRHEGWZONPHRP-WCQYABFASA-N 1 0 387.311 1.803 20 0 GDADRO Cc1ccc(I)cc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000268651003 531551611 /nfs/dbraw/zinc/55/16/11/531551611.db2.gz GNMKMOWNFVJASY-CYBMUJFWSA-N 1 0 387.265 1.575 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000415996521 531552457 /nfs/dbraw/zinc/55/24/57/531552457.db2.gz PGTCLVDDNYNLTG-CABZTGNLSA-N 1 0 382.408 1.235 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659681267 531552828 /nfs/dbraw/zinc/55/28/28/531552828.db2.gz SLCULXXMGDHVOL-DTVQEZCTSA-N 1 0 394.313 1.836 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658961031 531533848 /nfs/dbraw/zinc/53/38/48/531533848.db2.gz ZUQCFPYPERPCOD-DZGCQCFKSA-N 1 0 385.555 1.653 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])sc2c1CCCS2 ZINC000415801329 531534434 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C[C@H](CNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000281021816 531567803 /nfs/dbraw/zinc/56/78/03/531567803.db2.gz XSMLVQALVHVLHW-QMTHXVAHSA-N 1 0 383.290 1.757 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)C2 ZINC000659716290 531557486 /nfs/dbraw/zinc/55/74/86/531557486.db2.gz XTYOKCORCLBDCW-GFCCVEGCSA-N 1 0 380.286 1.716 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000280936297 531557683 /nfs/dbraw/zinc/55/76/83/531557683.db2.gz CHZAHSVJJLPSJJ-UHFFFAOYSA-N 1 0 389.543 1.043 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659740904 531559067 /nfs/dbraw/zinc/55/90/67/531559067.db2.gz FWLPOQTZIKDLQJ-UHFFFAOYSA-N 1 0 380.286 1.318 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(I)cc1F ZINC000295313426 531559205 /nfs/dbraw/zinc/55/92/05/531559205.db2.gz KVDLHLDUTBDGRT-ZDUSSCGKSA-N 1 0 380.201 1.473 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1coc(S(N)(=O)=O)c1 ZINC000491956932 531559770 /nfs/dbraw/zinc/55/97/70/531559770.db2.gz VMOSXCJERIPBRY-UHFFFAOYSA-N 1 0 385.408 1.663 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3c(Br)cccc3C2)CCCC1 ZINC000659731974 531559843 /nfs/dbraw/zinc/55/98/43/531559843.db2.gz CAEFYRDRLCTQCE-UHFFFAOYSA-N 1 0 380.286 1.722 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000659756431 531559857 /nfs/dbraw/zinc/55/98/57/531559857.db2.gz RIZCBXBIGGNZCU-MNOVXSKESA-N 1 0 376.284 1.943 20 0 GDADRO NC(=O)NC(=O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451191164 531565677 /nfs/dbraw/zinc/56/56/77/531565677.db2.gz MJNPBGUDPKNXAN-LLVKDONJSA-N 1 0 387.221 1.351 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636619215 531566993 /nfs/dbraw/zinc/56/69/93/531566993.db2.gz XIGHDLJFUZZWQW-ZDUSSCGKSA-N 1 0 398.276 1.900 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)C[N@@H+](C)[C@H]2CCSC2)c(C)s1 ZINC000493476944 531574586 /nfs/dbraw/zinc/57/45/86/531574586.db2.gz PJLNPPJXMQGAHS-ZDUSSCGKSA-N 1 0 391.584 1.197 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N[C@H](C)C[NH3+])cc(Br)c1C ZINC000583381159 531574698 /nfs/dbraw/zinc/57/46/98/531574698.db2.gz ZXUSDDGUFUMSHV-MRVPVSSYSA-N 1 0 379.276 1.560 20 0 GDADRO Cc1nc(NCc2ccc(OCCC[NH+](C)C)cc2)sc1S(N)(=O)=O ZINC000558784602 531581788 /nfs/dbraw/zinc/58/17/88/531581788.db2.gz JXJJLYGCAMFEJZ-UHFFFAOYSA-N 1 0 384.527 2.042 20 0 GDADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc(Br)cc1Cl ZINC000583498848 531581243 /nfs/dbraw/zinc/58/12/43/531581243.db2.gz XYGZQQYEQUQQLX-UHFFFAOYSA-N 1 0 385.653 1.883 20 0 GDADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)cc1 ZINC000416369462 531582183 /nfs/dbraw/zinc/58/21/83/531582183.db2.gz JARDHKDBQWUARO-UHFFFAOYSA-N 1 0 376.544 1.381 20 0 GDADRO C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)Oc1ccc(Br)cc1 ZINC000636862862 531584313 /nfs/dbraw/zinc/58/43/13/531584313.db2.gz VRZIXRHYTXWSPI-JSGCOSHPSA-N 1 0 386.290 1.582 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCCc3cc(Br)ccc3F)CCN2C1=O ZINC000583576331 531584706 /nfs/dbraw/zinc/58/47/06/531584706.db2.gz LPDKIQWSKIMRRN-JSGCOSHPSA-N 1 0 399.264 1.084 20 0 GDADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000660009779 531583976 /nfs/dbraw/zinc/58/39/76/531583976.db2.gz AHGBZAZZZKICMS-ZDUSSCGKSA-N 1 0 393.506 1.302 20 0 GDADRO O=C(CC[N@@H+](CCO)Cc1cc(Br)cs1)N1CCOCC1 ZINC000494224020 531590640 /nfs/dbraw/zinc/59/06/40/531590640.db2.gz QEJFOWSBUABOAX-UHFFFAOYSA-N 1 0 377.304 1.554 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636966426 531590511 /nfs/dbraw/zinc/59/05/11/531590511.db2.gz RAZSUEYCNDPMMM-YPMHNXCESA-N 1 0 388.281 1.885 20 0 GDADRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000494247902 531591896 /nfs/dbraw/zinc/59/18/96/531591896.db2.gz NHBJIRJLILTVPF-MEDUHNTESA-N 1 0 389.905 1.686 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000637002944 531594401 /nfs/dbraw/zinc/59/44/01/531594401.db2.gz WPEFZSWYEDHNOV-SNVBAGLBSA-N 1 0 378.424 1.531 20 0 GDADRO COc1cc(Br)ccc1CCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614501409 531598166 /nfs/dbraw/zinc/59/81/66/531598166.db2.gz DRJZDEZNSWYGNP-MRXNPFEDSA-N 1 0 396.329 1.896 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1(c2ccccc2Br)CC1 ZINC000614503778 531597044 /nfs/dbraw/zinc/59/70/44/531597044.db2.gz SFYMQBCTJWHPIA-AWEZNQCLSA-N 1 0 378.314 1.987 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(Cc2ncsc2Br)CC1 ZINC000660058309 531597185 /nfs/dbraw/zinc/59/71/85/531597185.db2.gz YPNKEOSKSRJUPL-UHFFFAOYSA-N 1 0 375.336 1.795 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000281255572 531599204 /nfs/dbraw/zinc/59/92/04/531599204.db2.gz MWKNZASEZHSONV-ZDUSSCGKSA-N 1 0 381.318 1.628 20 0 GDADRO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000660091791 531602517 /nfs/dbraw/zinc/60/25/17/531602517.db2.gz LGZSGRLMDKLNRT-AWEZNQCLSA-N 1 0 378.416 1.925 20 0 GDADRO O=S(=O)(c1cccnc1C(F)(F)F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660090034 531603118 /nfs/dbraw/zinc/60/31/18/531603118.db2.gz GPXGLEJNZPFQMK-GFCCVEGCSA-N 1 0 379.404 1.320 20 0 GDADRO C[N@H+](C[C@@H](O)Cn1cnc2c(I)cccc2c1=O)C1CC1 ZINC000416405807 531602201 /nfs/dbraw/zinc/60/22/01/531602201.db2.gz CWSSQYGGFAAJHD-LLVKDONJSA-N 1 0 399.232 1.456 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)C(=O)N(CCO)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000637117697 531605740 /nfs/dbraw/zinc/60/57/40/531605740.db2.gz AGVFSCQYGSKBDL-OAHLLOKOSA-N 1 0 388.295 1.696 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494472023 531607650 /nfs/dbraw/zinc/60/76/50/531607650.db2.gz GPBXIEDYNRJQHP-LBPRGKRZSA-N 1 0 385.452 1.334 20 0 GDADRO CCCN(C)CC(C)(C)NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000660108209 531607686 /nfs/dbraw/zinc/60/76/86/531607686.db2.gz WNNYVKHMKRSQHY-UHFFFAOYSA-N 1 0 380.507 1.628 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000615090843 531610872 /nfs/dbraw/zinc/61/08/72/531610872.db2.gz GKXPUIGMYCFJFN-LBPRGKRZSA-N 1 0 387.527 1.029 20 0 GDADRO C[C@@H](NC(=O)CS(=O)(=O)c1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000584053194 531609768 /nfs/dbraw/zinc/60/97/68/531609768.db2.gz BNFYSEWNPLRTFX-NEPJUHHUSA-N 1 0 389.315 1.727 20 0 GDADRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000494641490 531615517 /nfs/dbraw/zinc/61/55/17/531615517.db2.gz FUKPOBDDJUCLMV-FZMZJTMJSA-N 1 0 383.495 1.354 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCC(F)(F)c1ccc(Br)cc1 ZINC000637293549 531618086 /nfs/dbraw/zinc/61/80/86/531618086.db2.gz MPTKTMOQNNSUKS-ZDUSSCGKSA-N 1 0 392.244 1.907 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C2)CC1 ZINC000416437304 531616218 /nfs/dbraw/zinc/61/62/18/531616218.db2.gz GPFBUAOZOBODJM-OAHLLOKOSA-N 1 0 380.576 1.193 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)COC ZINC000295744947 531619897 /nfs/dbraw/zinc/61/98/97/531619897.db2.gz PDQFLONNJVHNNB-ZWNOBZJWSA-N 1 0 375.263 1.059 20 0 GDADRO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000269182894 531620924 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GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638505503 531657992 /nfs/dbraw/zinc/65/79/92/531657992.db2.gz WDLCVSXTOFYLSY-CYBMUJFWSA-N 1 0 387.299 1.624 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638612869 531658648 /nfs/dbraw/zinc/65/86/48/531658648.db2.gz SMPKSGMPPDXOSI-HUUCEWRRSA-N 1 0 396.285 1.045 20 0 GDADRO O=S(=O)(NC[C@H]1CCCCN1CCO)c1ccc(Br)c(F)c1 ZINC000451665703 531659617 /nfs/dbraw/zinc/65/96/17/531659617.db2.gz FLCMTLLVZZSHPE-LLVKDONJSA-N 1 0 395.294 1.713 20 0 GDADRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000365555879 531660830 /nfs/dbraw/zinc/66/08/30/531660830.db2.gz NYWJDQXJCLZEAV-RBSFLKMASA-N 1 0 383.539 1.932 20 0 GDADRO CC(=O)N[C@@H](CC(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000638623797 531661720 /nfs/dbraw/zinc/66/17/20/531661720.db2.gz SVVRXHOOAZMUGK-CABCVRRESA-N 1 0 384.274 1.121 20 0 GDADRO [NH3+]CC1(NC(=O)c2cnn(-c3cccc(Br)c3)c2)CCOCC1 ZINC000638634387 531662428 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GDADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)c1nnc[nH]1 ZINC000269517029 531684916 /nfs/dbraw/zinc/68/49/16/531684916.db2.gz HHUURDRLIBGYMZ-UHFFFAOYSA-N 1 0 394.273 1.840 20 0 GDADRO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000639223713 531687752 /nfs/dbraw/zinc/68/77/52/531687752.db2.gz VYTBNDBUPGICAH-GLQYFDAESA-N 1 0 381.274 1.854 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ncccc2Br)CC1 ZINC000662744223 531694088 /nfs/dbraw/zinc/69/40/88/531694088.db2.gz YNAGJNJRFOQEFE-UHFFFAOYSA-N 1 0 383.290 1.565 20 0 GDADRO O=C(Cn1cc(Br)cn1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000269592760 531695307 /nfs/dbraw/zinc/69/53/07/531695307.db2.gz YLAIYJYHLCPQAJ-MRXNPFEDSA-N 1 0 393.285 1.181 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)C12CCC[NH+]1CCC2 ZINC000561392492 531695715 /nfs/dbraw/zinc/69/57/15/531695715.db2.gz CDNGLQQWXSBBIA-UHFFFAOYSA-N 1 0 385.917 1.671 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000590812614 531699252 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[NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000417938470 531792462 /nfs/dbraw/zinc/79/24/62/531792462.db2.gz WTBRYCFGRGUQAA-QWRGUYRKSA-N 1 0 394.950 1.497 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)s1 ZINC000366945188 531794236 /nfs/dbraw/zinc/79/42/36/531794236.db2.gz KBINXTYITVUVBF-CQSZACIVSA-N 1 0 387.571 1.873 20 0 GDADRO O=C(CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)NC(=O)NCC(F)(F)F ZINC000511629563 531795405 /nfs/dbraw/zinc/79/54/05/531795405.db2.gz QWXZNSOETJBSBD-IUCAKERBSA-N 1 0 379.301 1.257 20 0 GDADRO CCS(=O)(=O)CCC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000563008333 531796197 /nfs/dbraw/zinc/79/61/97/531796197.db2.gz VWVFEMRBGXMODL-CYBMUJFWSA-N 1 0 380.304 1.603 20 0 GDADRO O=C(CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)NC(=O)NCC(F)(F)F ZINC000511629564 531796424 /nfs/dbraw/zinc/79/64/24/531796424.db2.gz QWXZNSOETJBSBD-RKDXNWHRSA-N 1 0 379.301 1.257 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)NC[C@H]([NH3+])C3CC3)C2=O)ccc1Br ZINC000418019499 531796851 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GDADRO COC[C@@H](CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1)OC ZINC000641330205 531806253 /nfs/dbraw/zinc/80/62/53/531806253.db2.gz QLRGJQIGWJFKFK-HNNXBMFYSA-N 1 0 380.576 1.319 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000453022015 531806766 /nfs/dbraw/zinc/80/67/66/531806766.db2.gz CATONQHOTZXONA-WQVCFCJDSA-N 1 0 392.297 1.965 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418151977 531807018 /nfs/dbraw/zinc/80/70/18/531807018.db2.gz GKUJYFBLPJHAQE-UHFFFAOYSA-N 1 0 392.884 1.199 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)C[C@@H]21 ZINC000453033399 531808054 /nfs/dbraw/zinc/80/80/54/531808054.db2.gz JOLDPFMKMUHTPJ-IOASZLSFSA-N 1 0 392.297 1.965 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000563119873 531808905 /nfs/dbraw/zinc/80/89/05/531808905.db2.gz LBLKZXAAWIKTKE-SNVBAGLBSA-N 1 0 380.388 1.851 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418158431 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385.555 1.748 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC ZINC000418733238 531835611 /nfs/dbraw/zinc/83/56/11/531835611.db2.gz RDXIPYGCAUOUBY-RISCZKNCSA-N 1 0 388.306 1.645 20 0 GDADRO O=C(C(=O)N1CCSC[C@H]1c1nccs1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000297882599 531830372 /nfs/dbraw/zinc/83/03/72/531830372.db2.gz VDYQRPGTYFXHOP-KGLIPLIRSA-N 1 0 378.523 1.232 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000418610746 531832269 /nfs/dbraw/zinc/83/22/69/531832269.db2.gz GZMOFVPGWLLEBB-MNOVXSKESA-N 1 0 376.345 1.806 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418836357 531849009 /nfs/dbraw/zinc/84/90/09/531849009.db2.gz USMAFRMNFSJZHO-CORIIIEPSA-N 1 0 380.286 1.632 20 0 GDADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000641697661 531849100 /nfs/dbraw/zinc/84/91/00/531849100.db2.gz JLFWTSPMSHQQED-UHFFFAOYSA-N 1 0 382.592 1.727 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 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1 0 383.334 1.730 20 0 GDADRO CN(C)S(=O)(=O)C[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000298113740 531852643 /nfs/dbraw/zinc/85/26/43/531852643.db2.gz ONORWQRNPVIOSW-CQSZACIVSA-N 1 0 380.436 1.462 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)s1 ZINC000641786913 531853477 /nfs/dbraw/zinc/85/34/77/531853477.db2.gz LJRUSOIFSKARKL-OAHLLOKOSA-N 1 0 387.571 1.038 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418848635 531854390 /nfs/dbraw/zinc/85/43/90/531854390.db2.gz ZKEVWLJFIPHLSH-TYNCELHUSA-N 1 0 382.302 1.753 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2ccc(Br)cc2Cl)CCOCC1 ZINC000624386693 531840577 /nfs/dbraw/zinc/84/05/77/531840577.db2.gz UBAGAUQJBZJVQR-UHFFFAOYSA-N 1 0 383.695 1.889 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000418786838 531841021 /nfs/dbraw/zinc/84/10/21/531841021.db2.gz SKXCRLOUCJFCBY-NEPJUHHUSA-N 1 0 398.301 1.578 20 0 GDADRO COc1cc(S(=O)(=O)NCC2([NH3+])CCOCC2)ccc1Br ZINC000624386978 531841154 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1.676 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000298023903 531842982 /nfs/dbraw/zinc/84/29/82/531842982.db2.gz XVOFGGWVMKXDMI-TZMCWYRMSA-N 1 0 398.301 1.943 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(OC)cc1Br ZINC000624405608 531844851 /nfs/dbraw/zinc/84/48/51/531844851.db2.gz NJTUDVQNJVYYBF-VHSXEESVSA-N 1 0 393.303 1.885 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000270231566 531845323 /nfs/dbraw/zinc/84/53/23/531845323.db2.gz VGUHEPHPYKVPNL-UHFFFAOYSA-N 1 0 391.896 1.558 20 0 GDADRO [NH3+]CCCOCCNS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000624409076 531845428 /nfs/dbraw/zinc/84/54/28/531845428.db2.gz PPEMMBROZOGLPD-UHFFFAOYSA-N 1 0 385.711 1.887 20 0 GDADRO CCOC1(CS(=O)(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)CCOCC1 ZINC000641625133 531845523 /nfs/dbraw/zinc/84/55/23/531845523.db2.gz SNLMYBFCGQAIMN-IAGOWNOFSA-N 1 0 376.563 1.954 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000418816635 531846003 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GDADRO [NH3+]CC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000563960078 531867986 /nfs/dbraw/zinc/86/79/86/531867986.db2.gz PCGPETDCXIWCRG-LLVKDONJSA-N 1 0 394.324 1.859 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000418852733 531855856 /nfs/dbraw/zinc/85/58/56/531855856.db2.gz IEEBNHYZAFQMAW-TZMCWYRMSA-N 1 0 382.302 1.960 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418853729 531855960 /nfs/dbraw/zinc/85/59/60/531855960.db2.gz KEWAIQZPQPQBTE-KRWDZBQOSA-N 1 0 380.286 1.586 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000418858669 531856050 /nfs/dbraw/zinc/85/60/50/531856050.db2.gz WPCLSXWCCXGDRD-CFVMTHIKSA-N 1 0 380.286 1.569 20 0 GDADRO CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)[C@H](C[NH3+])C1 ZINC000563595096 531856106 /nfs/dbraw/zinc/85/61/06/531856106.db2.gz QHGAEINANOUYTL-ZIAGYGMSSA-N 1 0 386.327 1.856 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000418853942 531856437 /nfs/dbraw/zinc/85/64/37/531856437.db2.gz KGLQKFRDGJREKH-FZMZJTMJSA-N 1 0 382.302 1.817 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418853334 531856573 /nfs/dbraw/zinc/85/65/73/531856573.db2.gz JIIRLKBAIDHXIL-OCCSQVGLSA-N 1 0 382.302 1.878 20 0 GDADRO CN1CCN(C(=O)N[C@@H]2CSc3ccc(Br)cc32)[C@H](C[NH3+])C1 ZINC000563592605 531856976 /nfs/dbraw/zinc/85/69/76/531856976.db2.gz BWEMNPONARMSEA-DGCLKSJQSA-N 1 0 385.331 1.880 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418862913 531857963 /nfs/dbraw/zinc/85/79/63/531857963.db2.gz HHSYPYHWQHSEIP-WCQYABFASA-N 1 0 387.311 1.789 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Br)cn1 ZINC000418870378 531858783 /nfs/dbraw/zinc/85/87/83/531858783.db2.gz RZCRCRHKASWLQL-CDGCEXEKSA-N 1 0 395.301 1.607 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000642351407 531858786 /nfs/dbraw/zinc/85/87/86/531858786.db2.gz PCAMIWLXPJGHAU-SMDDNHRTSA-N 1 0 396.285 1.647 20 0 GDADRO O=S(=O)(NC[C@H]1C[NH2+]CCO1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000563673997 531860607 /nfs/dbraw/zinc/86/06/07/531860607.db2.gz PVOHXQBXOFCKMX-GXTWGEPZSA-N 1 0 390.889 1.022 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418915119 531861254 /nfs/dbraw/zinc/86/12/54/531861254.db2.gz CCWZVWCGPIVAQJ-LBPRGKRZSA-N 1 0 382.302 1.841 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)NCC1=CC[NH2+]CC1 ZINC000418918196 531863228 /nfs/dbraw/zinc/86/32/28/531863228.db2.gz CIOCWZBFSRAQTL-UHFFFAOYSA-N 1 0 384.249 1.283 20 0 GDADRO C[NH+](C)CCNC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000298187910 531863700 /nfs/dbraw/zinc/86/37/00/531863700.db2.gz BLQWMDSIZCRTBE-UHFFFAOYSA-N 1 0 387.811 1.315 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418917694 531863705 /nfs/dbraw/zinc/86/37/05/531863705.db2.gz BMGSBQSFZDULLH-OKILXGFUSA-N 1 0 398.276 1.600 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000672454369 531864202 /nfs/dbraw/zinc/86/42/02/531864202.db2.gz HWAYYHJIDABTMX-CQSZACIVSA-N 1 0 388.921 1.320 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000270404341 531864420 /nfs/dbraw/zinc/86/44/20/531864420.db2.gz GEUNLQSJVRXTCI-KGLIPLIRSA-N 1 0 396.285 1.381 20 0 GDADRO C[C@H]([NH2+]C1CC1)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000563808799 531864342 /nfs/dbraw/zinc/86/43/42/531864342.db2.gz RDKWQGIWNGWZOF-ZDUSSCGKSA-N 1 0 385.555 1.722 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418929452 531864562 /nfs/dbraw/zinc/86/45/62/531864562.db2.gz ADKCVLRPJJBPJR-BXUZGUMPSA-N 1 0 384.274 1.058 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CCC2)CC[NH2+]1 ZINC000418929484 531864740 /nfs/dbraw/zinc/86/47/40/531864740.db2.gz CQVHHETWONZHPH-ZDUSSCGKSA-N 1 0 394.313 1.807 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418946482 531870564 /nfs/dbraw/zinc/87/05/64/531870564.db2.gz RMPJLWZIGKEXMT-NILFDRSVSA-N 1 0 380.286 1.796 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418946483 531870836 /nfs/dbraw/zinc/87/08/36/531870836.db2.gz RMPJLWZIGKEXMT-TUKIKUTGSA-N 1 0 380.286 1.796 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000418947570 531870876 /nfs/dbraw/zinc/87/08/76/531870876.db2.gz PWTNKTKDXKGAOD-BYCMXARLSA-N 1 0 398.276 1.790 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000418948237 531870954 /nfs/dbraw/zinc/87/09/54/531870954.db2.gz PWTNKTKDXKGAOD-TUKIKUTGSA-N 1 0 398.276 1.790 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595240086 531871176 /nfs/dbraw/zinc/87/11/76/531871176.db2.gz NJDSLRINHDUTMA-UHFFFAOYSA-N 1 0 376.240 1.914 20 0 GDADRO [NH3+]CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)F ZINC000564958784 531871225 /nfs/dbraw/zinc/87/12/25/531871225.db2.gz SAUABTZTJWHIFI-AWEZNQCLSA-N 1 0 375.441 1.574 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(I)c1 ZINC000595244796 531871459 /nfs/dbraw/zinc/87/14/59/531871459.db2.gz MUYNSOYVOJEHAD-VIFPVBQESA-N 1 0 375.210 1.262 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000595245146 531871723 /nfs/dbraw/zinc/87/17/23/531871723.db2.gz QERMKZDLJOADEH-LURJTMIESA-N 1 0 397.163 1.232 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)OC)c(F)cc1Br ZINC000595245453 531871797 /nfs/dbraw/zinc/87/17/97/531871797.db2.gz RAWACFRPIWLTQG-SSDOTTSWSA-N 1 0 390.209 1.037 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418959240 531871996 /nfs/dbraw/zinc/87/19/96/531871996.db2.gz ZWIYYMKYBNVCEB-CYBMUJFWSA-N 1 0 384.274 1.202 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCOc2cccc(Br)c2)CC[NH2+]1 ZINC000418957983 531872422 /nfs/dbraw/zinc/87/24/22/531872422.db2.gz XRIKFGGUVCKNAB-WCQYABFASA-N 1 0 384.274 1.201 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1I ZINC000564970267 531872995 /nfs/dbraw/zinc/87/29/95/531872995.db2.gz FOXQLLHCAOPNEG-SFYZADRCSA-N 1 0 393.200 1.611 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(F)cc1I ZINC000564970266 531873095 /nfs/dbraw/zinc/87/30/95/531873095.db2.gz FOXQLLHCAOPNEG-JGVFFNPUSA-N 1 0 393.200 1.611 20 0 GDADRO COc1ccc(I)c(NC(=O)[C@@H]([NH3+])COC(C)C)c1 ZINC000595253907 531873347 /nfs/dbraw/zinc/87/33/47/531873347.db2.gz RJSUYHBXHJEWJK-NSHDSACASA-N 1 0 378.210 1.991 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)CC1 ZINC000418984455 531875907 /nfs/dbraw/zinc/87/59/07/531875907.db2.gz DPAILMNLIPCMDR-UHFFFAOYSA-N 1 0 396.329 1.956 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419031612 531884405 /nfs/dbraw/zinc/88/44/05/531884405.db2.gz AISUMZIYENPYEA-ZDUSSCGKSA-N 1 0 384.274 1.505 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@H]2C[NH3+])cc1Br ZINC000419003972 531878383 /nfs/dbraw/zinc/87/83/83/531878383.db2.gz DTYRYIDNUWRZES-PWSUYJOCSA-N 1 0 384.274 1.585 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000419002899 531878398 /nfs/dbraw/zinc/87/83/98/531878398.db2.gz ZRFPLUYZTNXRRY-SMDDNHRTSA-N 1 0 398.301 1.337 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419036366 531884445 /nfs/dbraw/zinc/88/44/45/531884445.db2.gz GJGWSBQVSITVFJ-MFKMUULPSA-N 1 0 382.258 1.339 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1Br ZINC000419006709 531879395 /nfs/dbraw/zinc/87/93/95/531879395.db2.gz IDTXWMJNVYMDBR-ZYHUDNBSSA-N 1 0 384.274 1.585 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1Br ZINC000419011114 531880100 /nfs/dbraw/zinc/88/01/00/531880100.db2.gz RTMZQFDXWWTWNU-QWRGUYRKSA-N 1 0 384.274 1.442 20 0 GDADRO COc1ncc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1Cl ZINC000645576367 531880476 /nfs/dbraw/zinc/88/04/76/531880476.db2.gz WQQOUBSUPKUORS-UHFFFAOYSA-N 1 0 391.921 1.911 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000419015250 531880722 /nfs/dbraw/zinc/88/07/22/531880722.db2.gz BFNUPDCBZZUVGX-SUMWQHHRSA-N 1 0 396.285 1.586 20 0 GDADRO CN(C(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000419020976 531881329 /nfs/dbraw/zinc/88/13/29/531881329.db2.gz LHKKKWGNVGCRGH-AWEZNQCLSA-N 1 0 396.285 1.599 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000283644317 531881499 /nfs/dbraw/zinc/88/14/99/531881499.db2.gz AVJSKBAJQHRCKY-LLVKDONJSA-N 1 0 388.331 1.975 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000673626912 531881466 /nfs/dbraw/zinc/88/14/66/531881466.db2.gz DFZMPEVRDRCYSL-CYBMUJFWSA-N 1 0 390.347 1.677 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)[NH+](C)C ZINC000298365442 531881703 /nfs/dbraw/zinc/88/17/03/531881703.db2.gz SBIIXALFBGMKPL-ZJUUUORDSA-N 1 0 382.258 1.500 20 0 GDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000673627332 531881905 /nfs/dbraw/zinc/88/19/05/531881905.db2.gz JXNLFFXHWQVBDX-ZDUSSCGKSA-N 1 0 379.448 1.933 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419026536 531883677 /nfs/dbraw/zinc/88/36/77/531883677.db2.gz ULYKYOUAQVATTL-OLZOCXBDSA-N 1 0 382.302 1.707 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419033428 531883972 /nfs/dbraw/zinc/88/39/72/531883972.db2.gz CDHIWMKMFBQRRK-GXFFZTMASA-N 1 0 382.258 1.209 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])Sc1ccc(Br)cc1 ZINC000418941953 531869622 /nfs/dbraw/zinc/86/96/22/531869622.db2.gz WXOPLJQABJOWJG-JTQLQIEISA-N 1 0 388.331 1.899 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2cc(C)ccc2Br)[C@H](C[NH3+])C1 ZINC000419049934 531891481 /nfs/dbraw/zinc/89/14/81/531891481.db2.gz BVQYDIQXVCMCDR-KBPBESRZSA-N 1 0 398.301 1.338 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000298470989 531891884 /nfs/dbraw/zinc/89/18/84/531891884.db2.gz QDIJAFPSBZBWFA-ZDUSSCGKSA-N 1 0 383.539 1.747 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419051976 531892285 /nfs/dbraw/zinc/89/22/85/531892285.db2.gz GXXJJCDDZZAORX-OCCSQVGLSA-N 1 0 382.302 1.755 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419054023 531893498 /nfs/dbraw/zinc/89/34/98/531893498.db2.gz LDFSVINZUKIOSS-TZMCWYRMSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCO1 ZINC000647877174 531899660 /nfs/dbraw/zinc/89/96/60/531899660.db2.gz KDCKKTYMELXPAP-CQDKDKBSSA-N 1 0 383.901 1.430 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419054020 531893746 /nfs/dbraw/zinc/89/37/46/531893746.db2.gz LDFSVINZUKIOSS-JSGCOSHPSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1)C[NH+]1CCCC1 ZINC000283780175 531893733 /nfs/dbraw/zinc/89/37/33/531893733.db2.gz CMHAQRIIWLBACH-UONOGXRCSA-N 1 0 382.555 1.608 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419056360 531894937 /nfs/dbraw/zinc/89/49/37/531894937.db2.gz QYAXWNAGHHICCO-KBPBESRZSA-N 1 0 382.302 1.755 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCc1ccc(OC)cc1Br ZINC000595949612 531894942 /nfs/dbraw/zinc/89/49/42/531894942.db2.gz GLMLPDXALLWBPY-HNNXBMFYSA-N 1 0 399.285 1.754 20 0 GDADRO O=C(NCc1cccc(Br)c1Cl)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419058512 531894998 /nfs/dbraw/zinc/89/49/98/531894998.db2.gz WCWUOBGKYSNPLU-LLVKDONJSA-N 1 0 388.693 1.977 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419058975 531895497 /nfs/dbraw/zinc/89/54/97/531895497.db2.gz XDTHVFFCBHSDEN-GXSJLCMTSA-N 1 0 388.693 1.962 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1sc2c(c1I)CNC2 ZINC000595949548 531895894 /nfs/dbraw/zinc/89/58/94/531895894.db2.gz WPOJVKJWNUBRBP-SFYZADRCSA-N 1 0 391.278 1.765 20 0 GDADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1sc2c(c1I)CNC2 ZINC000595949487 531895908 /nfs/dbraw/zinc/89/59/08/531895908.db2.gz DYBWYYKPSBTSQR-BQBZGAKWSA-N 1 0 395.241 1.386 20 0 GDADRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cccc(I)c3)C2=O)cn1 ZINC000283794089 531896591 /nfs/dbraw/zinc/89/65/91/531896591.db2.gz APNZABBFOIOHHN-CQSZACIVSA-N 1 0 396.232 1.920 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000419065840 531896590 /nfs/dbraw/zinc/89/65/90/531896590.db2.gz JBASWLQFLCOBTF-WFASDCNBSA-N 1 0 382.302 1.960 20 0 GDADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000567555141 531896750 /nfs/dbraw/zinc/89/67/50/531896750.db2.gz HUJGASGAUUTNJD-NSHDSACASA-N 1 0 384.893 1.625 20 0 GDADRO O=S(=O)(c1ccc(Br)cc1)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647869571 531899307 /nfs/dbraw/zinc/89/93/07/531899307.db2.gz VUSCLICYVBSWJU-CYBMUJFWSA-N 1 0 388.331 1.365 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)s2)cs1 ZINC000419086831 531899317 /nfs/dbraw/zinc/89/93/17/531899317.db2.gz YMOVBHSSVLXNIP-CYBMUJFWSA-N 1 0 378.523 1.692 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000368005680 531884863 /nfs/dbraw/zinc/88/48/63/531884863.db2.gz KDSMMILWIPQKCL-AAEUAGOBSA-N 1 0 384.274 1.425 20 0 GDADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419032986 531885003 /nfs/dbraw/zinc/88/50/03/531885003.db2.gz BVBJUNXQWGFFNL-AWEZNQCLSA-N 1 0 388.295 1.537 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000419036846 531886133 /nfs/dbraw/zinc/88/61/33/531886133.db2.gz HMQASXZRJZSSTB-GFCCVEGCSA-N 1 0 394.686 1.995 20 0 GDADRO COc1ccc(C(=O)NC2CC[NH+](C)CC2)nc1I ZINC000270529089 531886688 /nfs/dbraw/zinc/88/66/88/531886688.db2.gz VCEALPHCCAXDKR-UHFFFAOYSA-N 1 0 375.210 1.519 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000419042432 531887212 /nfs/dbraw/zinc/88/72/12/531887212.db2.gz PGHDGUUOCLCWHM-VIFPVBQESA-N 1 0 394.686 1.949 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000419043852 531888349 /nfs/dbraw/zinc/88/83/49/531888349.db2.gz SETIPGWUOVMKSS-LLVKDONJSA-N 1 0 380.901 1.846 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419042767 531888863 /nfs/dbraw/zinc/88/88/63/531888863.db2.gz MDJIEUZWTSICDQ-GUBZILKMSA-N 1 0 378.420 1.925 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C[C@H]1[NH+](C)C ZINC000270540967 531889735 /nfs/dbraw/zinc/88/97/35/531889735.db2.gz XMYFPZKLAWDNDE-HZPDHXFCSA-N 1 0 383.539 1.126 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419045065 531889818 /nfs/dbraw/zinc/88/98/18/531889818.db2.gz VOUUJWBIBYVCAF-RISCZKNCSA-N 1 0 398.301 1.879 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000419045940 531890130 /nfs/dbraw/zinc/89/01/30/531890130.db2.gz USDICIRIVWNFJD-KXUCPTDWSA-N 1 0 378.420 1.925 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419046152 531890247 /nfs/dbraw/zinc/89/02/47/531890247.db2.gz XUVAXDYIZQPOPE-MJVIPROJSA-N 1 0 396.285 1.585 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419157048 531905799 /nfs/dbraw/zinc/90/57/99/531905799.db2.gz KOVQNVBFSCVZOH-SSDOTTSWSA-N 1 0 382.180 1.548 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419158026 531906152 /nfs/dbraw/zinc/90/61/52/531906152.db2.gz MJUKIOMJPNZLBF-QMMMGPOBSA-N 1 0 396.207 1.938 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368364799 531906820 /nfs/dbraw/zinc/90/68/20/531906820.db2.gz XNKGDEXVLIAJSZ-OLRMPSLUSA-N 1 0 387.299 1.193 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1Br ZINC000419163352 531907034 /nfs/dbraw/zinc/90/70/34/531907034.db2.gz JLDCISDEKQWXRH-GXTWGEPZSA-N 1 0 382.302 1.960 20 0 GDADRO CC[C@@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000647938346 531907674 /nfs/dbraw/zinc/90/76/74/531907674.db2.gz KKAHQORXKIHLDP-OCCSQVGLSA-N 1 0 397.317 1.563 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCCc2ccc(Br)cc2F)C1 ZINC000419168698 531908869 /nfs/dbraw/zinc/90/88/69/531908869.db2.gz FEFFXJYBAQHVJE-NSHDSACASA-N 1 0 386.265 1.444 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419172114 531908884 /nfs/dbraw/zinc/90/88/84/531908884.db2.gz YOHZLQSVVQGEJL-UHFFFAOYSA-N 1 0 394.313 1.976 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000568512591 531909074 /nfs/dbraw/zinc/90/90/74/531909074.db2.gz WVDGMNXVJBGJPK-LBPRGKRZSA-N 1 0 375.288 1.433 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000419184621 531909790 /nfs/dbraw/zinc/90/97/90/531909790.db2.gz GGNSVCUFDWCRNU-SMDDNHRTSA-N 1 0 398.301 1.337 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CCC[NH2+]CC1)c1ccccc1Br ZINC000419187513 531909858 /nfs/dbraw/zinc/90/98/58/531909858.db2.gz NPXHCGUDAAFLSN-UHFFFAOYSA-N 1 0 382.302 1.665 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccsc1Br ZINC000419184356 531910082 /nfs/dbraw/zinc/91/00/82/531910082.db2.gz NIVRILMBIHLKSM-NSHDSACASA-N 1 0 376.320 1.959 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000419205985 531913448 /nfs/dbraw/zinc/91/34/48/531913448.db2.gz LYWCOWRKHRBIDB-OCCSQVGLSA-N 1 0 382.302 1.612 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419207658 531913506 /nfs/dbraw/zinc/91/35/06/531913506.db2.gz PFADTUJGRUIRCN-YPMHNXCESA-N 1 0 398.301 1.517 20 0 GDADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000595963352 531899855 /nfs/dbraw/zinc/89/98/55/531899855.db2.gz LBHPOHPMZCALED-VXGBXAGGSA-N 1 0 394.640 1.925 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000368223428 531900002 /nfs/dbraw/zinc/90/00/02/531900002.db2.gz ACJNOBMDEMXZSX-CQSZACIVSA-N 1 0 377.551 1.939 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000419121149 531901547 /nfs/dbraw/zinc/90/15/47/531901547.db2.gz AICGQXYMHVOEJI-IINYFYTJSA-N 1 0 388.295 1.881 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000567802003 531901607 /nfs/dbraw/zinc/90/16/07/531901607.db2.gz MTYOZMAURPHZTA-CYBMUJFWSA-N 1 0 393.289 1.398 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000419149207 531904108 /nfs/dbraw/zinc/90/41/08/531904108.db2.gz KSLBQNRWHQWCLH-SMDDNHRTSA-N 1 0 384.274 1.203 20 0 GDADRO OCC[N@H+](CCN1CCOCC1)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000674754478 531904605 /nfs/dbraw/zinc/90/46/05/531904605.db2.gz BCJVMUUHLDBGGN-CQSZACIVSA-N 1 0 393.311 1.360 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000298606560 531904625 /nfs/dbraw/zinc/90/46/25/531904625.db2.gz QVIHNLNWMZIUBH-JTQLQIEISA-N 1 0 389.237 1.604 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(S(=O)(=O)NCCOC)c2)[C@@H]1SC ZINC000298607065 531904830 /nfs/dbraw/zinc/90/48/30/531904830.db2.gz ZTBCCTUODZNYEY-ZACQAIPSSA-N 1 0 388.555 1.610 20 0 GDADRO CSC[C@H](O)C[NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000568754094 531917081 /nfs/dbraw/zinc/91/70/81/531917081.db2.gz BPZRLKIRKPDXPC-RHSMWYFYSA-N 1 0 386.583 1.929 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000625892299 531917277 /nfs/dbraw/zinc/91/72/77/531917277.db2.gz IQAUPIHHSWJCKH-WCQYABFASA-N 1 0 397.321 1.468 20 0 GDADRO C[NH2+]CCOCCNC(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000625875505 531917354 /nfs/dbraw/zinc/91/73/54/531917354.db2.gz YIWYAAXOFLNPCA-UHFFFAOYSA-N 1 0 376.251 1.824 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000419256898 531918284 /nfs/dbraw/zinc/91/82/84/531918284.db2.gz XXJSTSYMAKPOMK-ZYHUDNBSSA-N 1 0 384.299 1.532 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br)C1CC1 ZINC000569086323 531918386 /nfs/dbraw/zinc/91/83/86/531918386.db2.gz UOQXQJHMLVLMRB-ZIAGYGMSSA-N 1 0 381.274 1.369 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)CC[NH2+]1 ZINC000419253376 531918420 /nfs/dbraw/zinc/91/84/20/531918420.db2.gz UGPYYEILDKHGKH-JOYOIKCWSA-N 1 0 384.299 1.532 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000419251734 531918545 /nfs/dbraw/zinc/91/85/45/531918545.db2.gz RKKUCELUSDJKAC-JOYOIKCWSA-N 1 0 384.299 1.519 20 0 GDADRO COC(=O)C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CCO1 ZINC000569482666 531921867 /nfs/dbraw/zinc/92/18/67/531921867.db2.gz OIYGANZPAFZRJW-CJNGLKHVSA-N 1 0 385.258 1.414 20 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CCOC(=O)C[C@H](NC(=O)NCC1(SC)CC[NH+](C)CC1)C(F)(F)F ZINC000597002863 531933811 /nfs/dbraw/zinc/93/38/11/531933811.db2.gz RAGCMAREUWBSFX-NSHDSACASA-N 1 0 385.452 1.997 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000419443059 531933881 /nfs/dbraw/zinc/93/38/81/531933881.db2.gz OTBTZOPMQJVUBD-ZYHUDNBSSA-N 1 0 384.274 1.318 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000570080733 531934023 /nfs/dbraw/zinc/93/40/23/531934023.db2.gz LUHJIEYVPBIMNV-UHFFFAOYSA-N 1 0 386.290 1.102 20 0 GDADRO Cc1cc(NC(=O)CC[NH2+]CCNC(=O)c2ccc(Br)cc2)no1 ZINC000570082165 531934076 /nfs/dbraw/zinc/93/40/76/531934076.db2.gz SJBUCJGLZMSSDY-UHFFFAOYSA-N 1 0 395.257 2.094 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000419570031 531936211 /nfs/dbraw/zinc/93/62/11/531936211.db2.gz MYRWFYWTRCQJNE-GHMZBOCLSA-N 1 0 388.299 1.360 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000419568494 531936387 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NSOIWZQOZQCETD-SUNKGSAMSA-N 1 0 386.290 1.495 20 0 GDADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)C(=O)NCCC[NH3+] ZINC000419656939 531947634 /nfs/dbraw/zinc/94/76/34/531947634.db2.gz VMXXFRZZCOVSEB-ZANVPECISA-N 1 0 386.315 1.813 20 0 GDADRO O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627271653 531947930 /nfs/dbraw/zinc/94/79/30/531947930.db2.gz YYHNIPJZWLTOKO-QWHCGFSZSA-N 1 0 397.269 1.501 20 0 GDADRO O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627271652 531948238 /nfs/dbraw/zinc/94/82/38/531948238.db2.gz YYHNIPJZWLTOKO-OLZOCXBDSA-N 1 0 397.269 1.501 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1cn2ccsc2n1)c1cccs1 ZINC000284335352 531950717 /nfs/dbraw/zinc/95/07/17/531950717.db2.gz KADGOXBHFAQXFW-LBPRGKRZSA-N 1 0 377.495 1.493 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000627393883 531951256 /nfs/dbraw/zinc/95/12/56/531951256.db2.gz OJUKOEBUTYBUOZ-AWEZNQCLSA-N 1 0 386.265 1.963 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cc(Br)cn2C)C[N@@H+]1C1CC1 ZINC000571243808 531951606 /nfs/dbraw/zinc/95/16/06/531951606.db2.gz PTMMSIXCLBWABG-DGCLKSJQSA-N 1 0 397.317 1.487 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)CCOc1cccc(I)c1 ZINC000597652397 531951570 /nfs/dbraw/zinc/95/15/70/531951570.db2.gz AVLPXFWINHLPPM-GFCCVEGCSA-N 1 0 392.237 1.099 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000626872969 531940202 /nfs/dbraw/zinc/94/02/02/531940202.db2.gz NVRAUIYQFJOLHF-UHFFFAOYSA-N 1 0 378.256 1.635 20 0 GDADRO NC(=O)[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(Br)c1 ZINC000684375021 531940423 /nfs/dbraw/zinc/94/04/23/531940423.db2.gz VFAMEKZTHNVBBK-LSDHHAIUSA-N 1 0 395.301 1.759 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)C1 ZINC000369357501 531959415 /nfs/dbraw/zinc/95/94/15/531959415.db2.gz GKAASRHZOUGBRE-CQSZACIVSA-N 1 0 375.897 1.880 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CCN2CCN(C(C)=O)CC2)c(Br)c1 ZINC000284470142 531960997 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C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419674077 531952677 /nfs/dbraw/zinc/95/26/77/531952677.db2.gz JNYDYRIFGXLILM-QMTHXVAHSA-N 1 0 393.285 1.803 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)C[C@H]1[NH3+] ZINC000419674932 531952692 /nfs/dbraw/zinc/95/26/92/531952692.db2.gz KMJSPJUZISHYHZ-TVQRCGJNSA-N 1 0 379.258 1.352 20 0 GDADRO CSC1(CNC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)CC[NH+](C)CC1 ZINC000597667669 531952817 /nfs/dbraw/zinc/95/28/17/531952817.db2.gz CXXNWBJUOPQDAU-CQSZACIVSA-N 1 0 377.576 1.036 20 0 GDADRO CSC1(CNC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)CC[NH+](C)CC1 ZINC000597669321 531952992 /nfs/dbraw/zinc/95/29/92/531952992.db2.gz SKCUVLNMQGGSNP-OLZOCXBDSA-N 1 0 384.464 1.914 20 0 GDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000457330225 531953316 /nfs/dbraw/zinc/95/33/16/531953316.db2.gz PIQWPQLMFLJUSS-HOTGVXAUSA-N 1 0 379.302 1.898 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419679545 531954012 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[NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000419754185 531965621 /nfs/dbraw/zinc/96/56/21/531965621.db2.gz ZMRBCTJGTCXYFW-HZPDHXFCSA-N 1 0 394.313 1.836 20 0 GDADRO CCn1c(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])nc2cc(Br)ccc21 ZINC000419776427 531967871 /nfs/dbraw/zinc/96/78/71/531967871.db2.gz KNYOXIWWHOQVNK-JTQLQIEISA-N 1 0 396.289 1.146 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655475553 531967973 /nfs/dbraw/zinc/96/79/73/531967973.db2.gz IUSHVZPPEHOXHP-MLGOLLRUSA-N 1 0 389.880 1.263 20 0 GDADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000271106247 531968189 /nfs/dbraw/zinc/96/81/89/531968189.db2.gz OTSROKKWJHKFNW-OLZOCXBDSA-N 1 0 392.930 1.793 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419781566 531968733 /nfs/dbraw/zinc/96/87/33/531968733.db2.gz PRADFZJKNRRJGP-OTYXRUKQSA-N 1 0 386.265 1.867 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419813529 531973533 /nfs/dbraw/zinc/97/35/33/531973533.db2.gz IOZJCFKNPLEICM-YVEFUNNKSA-N 1 0 382.302 1.694 20 0 GDADRO CC(C)[NH+](CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(C)C ZINC000299274669 531973690 /nfs/dbraw/zinc/97/36/90/531973690.db2.gz ALZCXDMSEUSQON-UHFFFAOYSA-N 1 0 391.559 1.334 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419819521 531974081 /nfs/dbraw/zinc/97/40/81/531974081.db2.gz LZDVDXRBFRFZQU-BPLDGKMQSA-N 1 0 394.313 1.564 20 0 GDADRO CN(C(=O)C(=O)NCCCC[NH3+])[C@H]1CCOc2ccc(Br)cc21 ZINC000419834786 531974889 /nfs/dbraw/zinc/97/48/89/531974889.db2.gz TUGRZRMNDMSVGY-ZDUSSCGKSA-N 1 0 384.274 1.586 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1Br ZINC000419830198 531975193 /nfs/dbraw/zinc/97/51/93/531975193.db2.gz FVSQTIIISCLVAS-RYUDHWBXSA-N 1 0 377.304 1.737 20 0 GDADRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@@H](C)O1 ZINC000419828046 531975579 /nfs/dbraw/zinc/97/55/79/531975579.db2.gz YEKIFDRMWYOPQC-CKYFFXLPSA-N 1 0 377.304 2.000 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419833361 531975682 /nfs/dbraw/zinc/97/56/82/531975682.db2.gz WIWWPMWPOCGWMW-YWPYICTPSA-N 1 0 382.302 1.692 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419843300 531976515 /nfs/dbraw/zinc/97/65/15/531976515.db2.gz MLXYSKWMOJOGCB-CQSZACIVSA-N 1 0 398.301 1.545 20 0 GDADRO CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000419845245 531977052 /nfs/dbraw/zinc/97/70/52/531977052.db2.gz PLBVOGRDQDUDAN-TZMCWYRMSA-N 1 0 396.285 1.599 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419849840 531978589 /nfs/dbraw/zinc/97/85/89/531978589.db2.gz ZKVOGGUHHMSDJZ-CABCVRRESA-N 1 0 380.286 1.981 20 0 GDADRO CS(=O)(=O)N1CCCN(Cc2cccc(I)c2)CC1 ZINC000284514638 531964519 /nfs/dbraw/zinc/96/45/19/531964519.db2.gz YRYKUJVTNWMLFE-UHFFFAOYSA-N 1 0 394.278 1.759 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000419982594 531992237 /nfs/dbraw/zinc/99/22/37/531992237.db2.gz VSPWWLKLWSKEFI-SECBINFHSA-N 1 0 377.329 1.819 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cccc(I)c1)C2 ZINC000598726429 531992757 /nfs/dbraw/zinc/99/27/57/531992757.db2.gz SWLRDBNHBQSEOL-ZWNOBZJWSA-N 1 0 392.262 1.793 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419991177 531992969 /nfs/dbraw/zinc/99/29/69/531992969.db2.gz KNULGQXKKKCGOP-DGCLKSJQSA-N 1 0 382.302 1.966 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419980212 531993014 /nfs/dbraw/zinc/99/30/14/531993014.db2.gz QTFBJCSBDGUXMV-ZDUSSCGKSA-N 1 0 382.302 1.913 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000420004145 531994547 /nfs/dbraw/zinc/99/45/47/531994547.db2.gz WAYHSDYHVMTKDA-HUUCEWRRSA-N 1 0 388.295 1.993 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000419884557 531980482 /nfs/dbraw/zinc/98/04/82/531980482.db2.gz OGCPVNOZTVNUJF-HNNXBMFYSA-N 1 0 395.301 1.330 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419882999 531980724 /nfs/dbraw/zinc/98/07/24/531980724.db2.gz CXGIEJWRSMNBKZ-NHYWBVRUSA-N 1 0 380.286 1.591 20 0 GDADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OCC(F)F)cc1 ZINC000370079190 531981158 /nfs/dbraw/zinc/98/11/58/531981158.db2.gz ALRCNQOHDGTBNP-TZMCWYRMSA-N 1 0 376.425 1.472 20 0 GDADRO CS[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)C[C@H]1[NH+](C)C ZINC000271210301 531981238 /nfs/dbraw/zinc/98/12/38/531981238.db2.gz YJKROFKLGSHJTC-OLZOCXBDSA-N 1 0 377.919 1.105 20 0 GDADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ncccc2Br)CCSC1 ZINC000656929591 531981354 /nfs/dbraw/zinc/98/13/54/531981354.db2.gz WLDGEIAZLZBNMZ-GFCCVEGCSA-N 1 0 380.333 1.560 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3I)C[C@@H]12 ZINC000573428037 531984367 /nfs/dbraw/zinc/98/43/67/531984367.db2.gz UCHXRAPVGBARFO-CKYFFXLPSA-N 1 0 399.232 1.425 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N(C)Cc1cc(OC)ccc1Br ZINC000419909662 531984658 /nfs/dbraw/zinc/98/46/58/531984658.db2.gz MJSYAHTWAOFCSI-UHFFFAOYSA-N 1 0 386.290 1.532 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000419912282 531985212 /nfs/dbraw/zinc/98/52/12/531985212.db2.gz WFEVMWVJODXPLI-HNNXBMFYSA-N 1 0 398.301 1.465 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419912150 531985254 /nfs/dbraw/zinc/98/52/54/531985254.db2.gz KWRAAAFKWUXPDR-LBPRGKRZSA-N 1 0 398.301 1.532 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000419909532 531985311 /nfs/dbraw/zinc/98/53/11/531985311.db2.gz GDKJCMKWWPCILZ-LLVKDONJSA-N 1 0 398.276 1.589 20 0 GDADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000419915087 531985329 /nfs/dbraw/zinc/98/53/29/531985329.db2.gz CCTUUBPIKUQNAL-GHMZBOCLSA-N 1 0 386.315 1.900 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000419934971 531988197 /nfs/dbraw/zinc/98/81/97/531988197.db2.gz CEFSKORWESFGAX-WFASDCNBSA-N 1 0 397.317 1.563 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419938113 531988800 /nfs/dbraw/zinc/98/88/00/531988800.db2.gz PDNPIEWCZOHKDN-OAHLLOKOSA-N 1 0 382.302 1.974 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000419948192 531990144 /nfs/dbraw/zinc/99/01/44/531990144.db2.gz YUDZUUCUAOFRGL-JMSVASOKSA-N 1 0 398.301 1.449 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000657071548 531997207 /nfs/dbraw/zinc/99/72/07/531997207.db2.gz QATXKGTXXXCGMC-LBPRGKRZSA-N 1 0 382.452 1.651 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1Br ZINC000657071767 531997248 /nfs/dbraw/zinc/99/72/48/531997248.db2.gz CYHGIEHIPQFTRI-ZDUSSCGKSA-N 1 0 392.363 1.999 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cnc2ccc(Br)cc2c1O ZINC000420034364 531997719 /nfs/dbraw/zinc/99/77/19/531997719.db2.gz HNUHZDYMODZFLO-QGZVFWFLSA-N 1 0 396.285 1.723 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420010031 531995428 /nfs/dbraw/zinc/99/54/28/531995428.db2.gz WYAOTEYLRBNSSE-GFCCVEGCSA-N 1 0 386.290 1.530 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420049850 531998921 /nfs/dbraw/zinc/99/89/21/531998921.db2.gz YMNAOSSZDSFLNO-OAHLLOKOSA-N 1 0 388.295 1.558 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000420045504 531999768 /nfs/dbraw/zinc/99/97/68/531999768.db2.gz UTMZHDQCFVIWLN-RISCZKNCSA-N 1 0 398.301 1.637 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420039629 531999784 /nfs/dbraw/zinc/99/97/84/531999784.db2.gz LJGKGTPXSVEYPV-QMTHXVAHSA-N 1 0 386.265 1.790 20 0 GDADRO Cc1nc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)sc1Br ZINC000458917532 532000171 /nfs/dbraw/zinc/00/01/71/532000171.db2.gz BZNIRIGIMXPNPF-UHFFFAOYSA-N 1 0 391.335 1.812 20 0 GDADRO Cc1nc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)sc1Br ZINC000458933240 532000689 /nfs/dbraw/zinc/00/06/89/532000689.db2.gz RPMXATYHFUHRCF-NSHDSACASA-N 1 0 391.335 1.860 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000370673290 531998627 /nfs/dbraw/zinc/99/86/27/531998627.db2.gz LVDXSWXZIJDMNZ-MNOVXSKESA-N 1 0 375.853 1.668 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC[NH2+]1 ZINC000420099126 532002513 /nfs/dbraw/zinc/00/25/13/532002513.db2.gz BIRAKSVDNLXJJD-ZLDLUXBVSA-N 1 0 395.301 1.764 20 0 GDADRO Cc1nc(CS(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000657084621 532000887 /nfs/dbraw/zinc/00/08/87/532000887.db2.gz KJTXCXWNBRMZEG-QGZVFWFLSA-N 1 0 381.523 1.638 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420095052 532000904 /nfs/dbraw/zinc/00/09/04/532000904.db2.gz RZNOKYCOTFISFZ-NSHDSACASA-N 1 0 380.286 1.892 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000420077066 532001018 /nfs/dbraw/zinc/00/10/18/532001018.db2.gz BJJGVJCKEMGREW-UHFFFAOYSA-N 1 0 382.302 1.968 20 0 GDADRO COCn1nccc1S(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000574892070 532001153 /nfs/dbraw/zinc/00/11/53/532001153.db2.gz AFLAEWHDNCQTRP-ZBFHGGJFSA-N 1 0 384.889 1.864 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598972388 532001326 /nfs/dbraw/zinc/00/13/26/532001326.db2.gz IVQXXIIMIMKELY-UHFFFAOYSA-N 1 0 377.532 1.625 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000599100500 532004463 /nfs/dbraw/zinc/00/44/63/532004463.db2.gz IEKMEWQACQDTTK-AAEUAGOBSA-N 1 0 380.388 1.621 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420135825 532005808 /nfs/dbraw/zinc/00/58/08/532005808.db2.gz VSXJPBUPCUFNPI-IUODEOHRSA-N 1 0 382.302 1.973 20 0 GDADRO CN(CC[NH2+]Cc1cc(C(F)(F)F)nn1C)S(=O)(=O)c1cccs1 ZINC000657410998 532005001 /nfs/dbraw/zinc/00/50/01/532005001.db2.gz LAASEFYMLKAZCL-UHFFFAOYSA-N 1 0 382.433 1.911 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000420176414 532008417 /nfs/dbraw/zinc/00/84/17/532008417.db2.gz ZOXGKEKRNAQVBZ-NSHDSACASA-N 1 0 388.295 1.791 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c(OC)c1 ZINC000574988833 532007592 /nfs/dbraw/zinc/00/75/92/532007592.db2.gz QWVQASCQZLPBTK-NWDGAFQWSA-N 1 0 393.531 1.251 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420206098 532008907 /nfs/dbraw/zinc/00/89/07/532008907.db2.gz PQXJOCKANZVAGR-ZFWWWQNUSA-N 1 0 382.302 1.694 20 0 GDADRO [NH3+]CCCOCCNS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631955280 532008913 /nfs/dbraw/zinc/00/89/13/532008913.db2.gz HOOZPUNIMGWHFR-UHFFFAOYSA-N 1 0 376.347 1.984 20 0 GDADRO [NH3+]Cc1ccc2c(c1)N(S(=O)(=O)c1cnn(CC(F)(F)F)c1)CCO2 ZINC000631959624 532009050 /nfs/dbraw/zinc/00/90/50/532009050.db2.gz YRMWCHSQWJGNPA-UHFFFAOYSA-N 1 0 376.360 1.492 20 0 GDADRO CNC(=O)CN1CCCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000371163033 532009166 /nfs/dbraw/zinc/00/91/66/532009166.db2.gz GAGXCCVAZAAIMQ-AWEZNQCLSA-N 1 0 396.285 1.205 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420210696 532009475 /nfs/dbraw/zinc/00/94/75/532009475.db2.gz NRFZLRAPSUFDKB-SDDRHHMPSA-N 1 0 384.274 1.505 20 0 GDADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3c[nH]c4ncc(Br)cc34)[C@@H]2C1 ZINC000284954156 532010348 /nfs/dbraw/zinc/01/03/48/532010348.db2.gz KPXLAKMZWILGPW-KGLIPLIRSA-N 1 0 379.258 1.871 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1Br ZINC000420431395 532012724 /nfs/dbraw/zinc/01/27/24/532012724.db2.gz OBKRUCMOKMRHBP-UFBFGSQYSA-N 1 0 376.276 1.518 20 0 GDADRO O=C(CC[NH+]1CCC2(CC1)NC(=O)NC2=O)Nc1ccc(Br)cc1 ZINC000299630440 532012853 /nfs/dbraw/zinc/01/28/53/532012853.db2.gz JYDFWCOHIHYBFA-UHFFFAOYSA-N 1 0 395.257 1.452 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000420443136 532012862 /nfs/dbraw/zinc/01/28/62/532012862.db2.gz ANQMGOKOERDAGZ-AWEZNQCLSA-N 1 0 377.894 1.959 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000420450193 532014439 /nfs/dbraw/zinc/01/44/39/532014439.db2.gz OUTSTVHVLBRXEE-CYBMUJFWSA-N 1 0 391.921 1.702 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3ncn(C)c3Cl)CC2)CC1 ZINC000371215942 532014534 /nfs/dbraw/zinc/01/45/34/532014534.db2.gz OSSGYUFCAJPQCJ-UHFFFAOYSA-N 1 0 389.953 1.253 20 0 GDADRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000420454269 532015447 /nfs/dbraw/zinc/01/54/47/532015447.db2.gz DWWFQYNAKHNSOZ-HNNXBMFYSA-N 1 0 382.507 1.631 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000420448820 532013769 /nfs/dbraw/zinc/01/37/69/532013769.db2.gz MGSWJQNNOMWPFG-UHFFFAOYSA-N 1 0 389.905 1.471 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000420449170 532013826 /nfs/dbraw/zinc/01/38/26/532013826.db2.gz MUBSNWMMUHAQTG-ABAIWWIYSA-N 1 0 382.873 1.517 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2cccs2)cc1 ZINC000299637954 532013982 /nfs/dbraw/zinc/01/39/82/532013982.db2.gz KJEVUFYDVZSKPC-ZDUSSCGKSA-N 1 0 381.523 1.965 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)N[C@H](CO)c1ccc(Br)cc1 ZINC000632167316 532016251 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GDADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599664643 532035324 /nfs/dbraw/zinc/03/53/24/532035324.db2.gz FAOKTDYRWQMHQF-HZMBPMFUSA-N 1 0 392.283 1.867 20 0 GDADRO COCCOC[C@@H](O)C[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000577385374 532035707 /nfs/dbraw/zinc/03/57/07/532035707.db2.gz KNPWADFMQDMKAL-HNNXBMFYSA-N 1 0 386.290 1.561 20 0 GDADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000271650868 532036306 /nfs/dbraw/zinc/03/63/06/532036306.db2.gz IWUGVCKVTQEGBF-UHFFFAOYSA-N 1 0 386.246 1.242 20 0 GDADRO COc1ccc(Br)c(CC(=O)NCCC[N@H+](C)CCN(C)C)c1 ZINC000577915659 532041452 /nfs/dbraw/zinc/04/14/52/532041452.db2.gz KMBHHCYJTCLLEW-UHFFFAOYSA-N 1 0 386.334 2.000 20 0 GDADRO CC[C@H](CS(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1)OC ZINC000420710044 532043439 /nfs/dbraw/zinc/04/34/39/532043439.db2.gz MHYWDYQDTCRAKF-DLBZAZTESA-N 1 0 378.579 1.935 20 0 GDADRO CC[C@@H](CS(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1)OC ZINC000420710047 532043617 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CC(C)S(=O)(=O)CC[NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000310957543 532055272 /nfs/dbraw/zinc/05/52/72/532055272.db2.gz PHCIZPUYPKRNML-HUUCEWRRSA-N 1 0 378.535 1.814 20 0 GDADRO C[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)[NH+]1CC(C)C1 ZINC000579124082 532057202 /nfs/dbraw/zinc/05/72/02/532057202.db2.gz FMPFUHAZTWSZND-CQSZACIVSA-N 1 0 385.917 1.513 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000313360295 532057360 /nfs/dbraw/zinc/05/73/60/532057360.db2.gz WSGVDUKCGDBUQC-NSHDSACASA-N 1 0 379.276 1.196 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)Nc2cscc2Cl)CC1 ZINC000634972843 532057413 /nfs/dbraw/zinc/05/74/13/532057413.db2.gz JLDXDXSRYPKKJB-UHFFFAOYSA-N 1 0 386.905 1.447 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCNC(=O)CC2)c1 ZINC000634961290 532057069 /nfs/dbraw/zinc/05/70/69/532057069.db2.gz QJVVCRXRFIECQL-LBPRGKRZSA-N 1 0 398.301 1.836 20 0 GDADRO C[N@H+](CCCCNC(=O)C(=O)N1CCSC[C@H]1c1nccs1)C1CC1 ZINC000422454076 532061456 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C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000285305368 532064545 /nfs/dbraw/zinc/06/45/45/532064545.db2.gz RURZQOWZWHFKJF-LLVKDONJSA-N 1 0 377.894 1.499 20 0 GDADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cscc3Cl)C2)CC1 ZINC000602038826 532069920 /nfs/dbraw/zinc/06/99/20/532069920.db2.gz UUEIEQPMMRIDRQ-ZDUSSCGKSA-N 1 0 384.933 1.967 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000579772821 532067892 /nfs/dbraw/zinc/06/78/92/532067892.db2.gz ALRQWKVRVDSPST-INIZCTEOSA-N 1 0 380.242 1.499 20 0 GDADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CC2 ZINC000579792111 532068004 /nfs/dbraw/zinc/06/80/04/532068004.db2.gz OEHFLYVKFRECOK-AAEUAGOBSA-N 1 0 396.289 1.342 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422854717 532068448 /nfs/dbraw/zinc/06/84/48/532068448.db2.gz BIJZCFZPLRURBX-HUUCEWRRSA-N 1 0 398.301 1.452 20 0 GDADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cc(Cl)c3c(c1)OCCO3)CCO2 ZINC000271971118 532068711 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1.923 20 0 GDADRO C[S@](=O)C1(C(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)CC[NH2+]CC1 ZINC000602519467 532078349 /nfs/dbraw/zinc/07/83/49/532078349.db2.gz ZVBFHHGKNHYXSP-SXBQZSJRSA-N 1 0 383.945 1.783 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423465048 532075772 /nfs/dbraw/zinc/07/57/72/532075772.db2.gz BYYKJYGZSBSTOE-NWDGAFQWSA-N 1 0 380.286 1.702 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000423495425 532075924 /nfs/dbraw/zinc/07/59/24/532075924.db2.gz FFMJVDDGXWXAJM-CQSZACIVSA-N 1 0 383.290 1.269 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1=O ZINC000469584971 532076074 /nfs/dbraw/zinc/07/60/74/532076074.db2.gz MMUVEQXWADMYBS-MFKMUULPSA-N 1 0 386.279 1.953 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000423513636 532076153 /nfs/dbraw/zinc/07/61/53/532076153.db2.gz VMBGVHAIVXZJQR-LLVKDONJSA-N 1 0 384.274 1.223 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000285374692 532076214 /nfs/dbraw/zinc/07/62/14/532076214.db2.gz WCIDYWFGTOQXAT-JSGCOSHPSA-N 1 0 380.539 1.360 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)Cc1ccc(I)cc1 ZINC000602544139 532080364 /nfs/dbraw/zinc/08/03/64/532080364.db2.gz DWHTXKWAFBSCJL-UHFFFAOYSA-N 1 0 376.238 1.528 20 0 GDADRO CC(=O)N1CSC[C@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373417238 532080367 /nfs/dbraw/zinc/08/03/67/532080367.db2.gz LIEKJUWNDBBYKJ-RUXDESIVSA-N 1 0 379.448 1.829 20 0 GDADRO COC(=O)[C@]1(NC(=O)C[C@@H]2CC[NH2+]C2)CCc2cc(Br)ccc2C1 ZINC000602543966 532080566 /nfs/dbraw/zinc/08/05/66/532080566.db2.gz NOWLJGBEJUYSGC-SGTLLEGYSA-N 1 0 395.297 1.965 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000423741781 532080623 /nfs/dbraw/zinc/08/06/23/532080623.db2.gz TUOKEUMJVLHCFJ-IUODEOHRSA-N 1 0 382.302 1.646 20 0 GDADRO C[S@@](=O)C1(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[NH2+]CC1 ZINC000602503445 532078867 /nfs/dbraw/zinc/07/88/67/532078867.db2.gz OPTAMAHRTVLQSL-XELLLNAOSA-N 1 0 387.908 1.675 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000423727603 532079282 /nfs/dbraw/zinc/07/92/82/532079282.db2.gz VIZNMDSFPQEUCI-SMDDNHRTSA-N 1 0 384.274 1.155 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CCO1 ZINC000423698415 532079523 /nfs/dbraw/zinc/07/95/23/532079523.db2.gz NDWXZKVYQASHLX-HIFRSBDPSA-N 1 0 383.901 1.219 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)s1 ZINC000285408660 532079552 /nfs/dbraw/zinc/07/95/52/532079552.db2.gz UQIBLVLHACTEHL-RYUDHWBXSA-N 1 0 388.511 1.791 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000423708271 532079802 /nfs/dbraw/zinc/07/98/02/532079802.db2.gz UQPBCQMUFKGTIP-VIFPVBQESA-N 1 0 376.682 1.867 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)[C@@H]1C[NH3+] ZINC000423736977 532081373 /nfs/dbraw/zinc/08/13/73/532081373.db2.gz PSQLFRARQWMCDD-IUODEOHRSA-N 1 0 382.302 1.993 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CCC1 ZINC000581482707 532083564 /nfs/dbraw/zinc/08/35/64/532083564.db2.gz ROYDMJUHFBPNBD-CQSZACIVSA-N 1 0 391.946 1.752 20 0 GDADRO COC(=O)CNC(=O)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000602749849 532084296 /nfs/dbraw/zinc/08/42/96/532084296.db2.gz MWEGCUFOSMCMHH-HUUCEWRRSA-N 1 0 398.301 1.463 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1ccc(I)c(O)c1 ZINC000470593923 532084978 /nfs/dbraw/zinc/08/49/78/532084978.db2.gz GDHUFDWKYRSUPD-UHFFFAOYSA-N 1 0 378.210 1.041 20 0 GDADRO NS(=O)(=O)c1ccc(NCC2CC[NH+](CCO)CC2)cc1C(F)(F)F ZINC000470869907 532087478 /nfs/dbraw/zinc/08/74/78/532087478.db2.gz MNRMDKJMRQJVPK-UHFFFAOYSA-N 1 0 381.420 1.469 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1Br ZINC000470941898 532090228 /nfs/dbraw/zinc/09/02/28/532090228.db2.gz ZIFRXGCNZOACOV-CYBMUJFWSA-N 1 0 398.301 1.611 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000285542836 532092197 /nfs/dbraw/zinc/09/21/97/532092197.db2.gz QAELBAYLFCWFFZ-QMTHXVAHSA-N 1 0 398.276 1.946 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000328790496 532093807 /nfs/dbraw/zinc/09/38/07/532093807.db2.gz YULMXSSXSWTDGE-GHMZBOCLSA-N 1 0 398.476 1.639 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000603491799 532094150 /nfs/dbraw/zinc/09/41/50/532094150.db2.gz KEQJUIPSJOCMGD-UHFFFAOYSA-N 1 0 375.535 1.360 20 0 GDADRO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000285571663 532095140 /nfs/dbraw/zinc/09/51/40/532095140.db2.gz GPYWMYJQEBUUMQ-RISCZKNCSA-N 1 0 381.420 1.248 20 0 GDADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000285575082 532095901 /nfs/dbraw/zinc/09/59/01/532095901.db2.gz BCNCPMDWEVNEDP-LSDHHAIUSA-N 1 0 386.279 1.655 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CCC[C@H]3C[NH+]3CCCC3)cnc2c1Cl ZINC000329150950 532097009 /nfs/dbraw/zinc/09/70/09/532097009.db2.gz ZWDUGJWIDDVFHB-ZDUSSCGKSA-N 1 0 383.905 1.940 20 0 GDADRO O=S(=O)(CC1CCS(=O)(=O)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329225383 532099584 /nfs/dbraw/zinc/09/95/84/532099584.db2.gz DAZDIFKPKFAPFC-INIZCTEOSA-N 1 0 378.560 1.091 20 0 GDADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCCc2nccs2)CC1 ZINC000272481179 532101817 /nfs/dbraw/zinc/10/18/17/532101817.db2.gz JIRAPIMNDLRWFV-UHFFFAOYSA-N 1 0 383.543 1.859 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272501350 532103079 /nfs/dbraw/zinc/10/30/79/532103079.db2.gz HATFICIPSSDHJS-ZDUSSCGKSA-N 1 0 387.933 1.855 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(OC)c(Br)c3)C2)CC1 ZINC000424656307 532103111 /nfs/dbraw/zinc/10/31/11/532103111.db2.gz YEUCZNNYYSLSBS-AWEZNQCLSA-N 1 0 397.317 1.705 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2noc3ccc(Br)cc23)C1 ZINC000424655573 532103162 /nfs/dbraw/zinc/10/31/62/532103162.db2.gz BSIMMMZPPOSCGL-LBPRGKRZSA-N 1 0 382.258 1.970 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC[C@H]1CCSC1 ZINC000285672745 532103507 /nfs/dbraw/zinc/10/35/07/532103507.db2.gz UHXLVSOMERDVDG-CQSZACIVSA-N 1 0 385.555 1.796 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCc1cc(F)cc(Br)c1)[N@H+](C)C1CC1 ZINC000285691396 532105611 /nfs/dbraw/zinc/10/56/11/532105611.db2.gz XLNRCZRIYNUFDD-JTQLQIEISA-N 1 0 386.265 1.803 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cnc(COC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000285719989 532107877 /nfs/dbraw/zinc/10/78/77/532107877.db2.gz JGHMYDXRRIBMRC-ZDUSSCGKSA-N 1 0 389.543 1.261 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)[C@@H](N2CCOCC2)C1 ZINC000329783143 532109316 /nfs/dbraw/zinc/10/93/16/532109316.db2.gz UWHYOYSXUUWCPG-WUCCLRPBSA-N 1 0 384.464 1.443 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272676177 532109858 /nfs/dbraw/zinc/10/98/58/532109858.db2.gz UQCSSLMCNXDNLV-ZENOOKHLSA-N 1 0 385.917 1.559 20 0 GDADRO CCn1cncc1S(=O)(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000330180596 532117293 /nfs/dbraw/zinc/11/72/93/532117293.db2.gz NJSBZBSIAYPGSJ-CQSZACIVSA-N 1 0 383.543 1.811 20 0 GDADRO CO[C@@H](C)C[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000285879483 532118521 /nfs/dbraw/zinc/11/85/21/532118521.db2.gz YQDUNWHXGSBYAD-LBPRGKRZSA-N 1 0 391.921 1.886 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1CCNC(=O)C1 ZINC000425097832 532118979 /nfs/dbraw/zinc/11/89/79/532118979.db2.gz JEAHMCKSMQNMIA-GFCCVEGCSA-N 1 0 397.317 1.912 20 0 GDADRO COC(=O)c1csc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000285989048 532124801 /nfs/dbraw/zinc/12/48/01/532124801.db2.gz IADMHKKGSRLEKC-TZMCWYRMSA-N 1 0 390.527 1.674 20 0 GDADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000374423014 532122020 /nfs/dbraw/zinc/12/20/20/532122020.db2.gz RCESMANQYDFUHI-FGWVZKOKSA-N 1 0 377.919 1.551 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000285950369 532122853 /nfs/dbraw/zinc/12/28/53/532122853.db2.gz CHYFDGKSDBPBGV-NSHDSACASA-N 1 0 385.306 1.614 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000285981217 532124480 /nfs/dbraw/zinc/12/44/80/532124480.db2.gz XFUBTHCPSDNCAG-QWRGUYRKSA-N 1 0 389.880 1.825 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1(C)C ZINC000374210241 532114754 /nfs/dbraw/zinc/11/47/54/532114754.db2.gz KJWYGXLBQYUNKQ-INIZCTEOSA-N 1 0 396.329 1.895 20 0 GDADRO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374821151 532138621 /nfs/dbraw/zinc/13/86/21/532138621.db2.gz DVGPWVWRCSCDGS-GDBMZVCRSA-N 1 0 379.448 1.768 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000286044795 532128754 /nfs/dbraw/zinc/12/87/54/532128754.db2.gz QTRKBTSSAITZMC-UHFFFAOYSA-N 1 0 381.274 1.796 20 0 GDADRO CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000330861673 532131521 /nfs/dbraw/zinc/13/15/21/532131521.db2.gz PYLWISVBSJILLU-BLLLJJGKSA-N 1 0 384.274 1.835 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 ZINC000330920156 532134025 /nfs/dbraw/zinc/13/40/25/532134025.db2.gz OZDWPJDNOODQAA-LBPRGKRZSA-N 1 0 393.506 1.160 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000273125145 532135816 /nfs/dbraw/zinc/13/58/16/532135816.db2.gz TZYTVAKAZAWOKM-LBPRGKRZSA-N 1 0 399.285 1.805 20 0 GDADRO COc1nnc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000374751229 532136135 /nfs/dbraw/zinc/13/61/35/532136135.db2.gz STCCAWRPQISXAW-UHFFFAOYSA-N 1 0 379.408 2.474 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(I)cc1 ZINC000331298980 532143507 /nfs/dbraw/zinc/14/35/07/532143507.db2.gz DJTXEAUNSKLZQE-AWEZNQCLSA-N 1 0 388.249 1.868 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cc(F)c(F)cc1Br ZINC000286625627 532165130 /nfs/dbraw/zinc/16/51/30/532165130.db2.gz IGLGJKIWOGNRPD-LLVKDONJSA-N 1 0 391.260 1.772 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(C)c3C2)C1 ZINC000332140580 532166170 /nfs/dbraw/zinc/16/61/70/532166170.db2.gz JDQKFTSSDSJMKH-CQSZACIVSA-N 1 0 380.286 1.463 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CCSC1 ZINC000332182530 532169170 /nfs/dbraw/zinc/16/91/70/532169170.db2.gz SAZQOTSZOYXBJB-QGZVFWFLSA-N 1 0 383.539 1.176 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1)CC2 ZINC000332193848 532169517 /nfs/dbraw/zinc/16/95/17/532169517.db2.gz VQIVTBSCFDFMSV-XHDPSFHLSA-N 1 0 380.286 1.448 20 0 GDADRO C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)[C@@H]1CCC[C@H]1O ZINC000286701879 532170416 /nfs/dbraw/zinc/17/04/16/532170416.db2.gz WJXVLLNMWSUMIA-ZIAGYGMSSA-N 1 0 384.274 1.349 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC[C@@H]1[NH3+] ZINC000332003968 532159459 /nfs/dbraw/zinc/15/94/59/532159459.db2.gz CHAQSCJISJZNFQ-WKPIXPDZSA-N 1 0 380.286 1.748 20 0 GDADRO Cc1c([C@H]2[C@H]([NH2+]Cc3cncc(Br)c3)CC(=O)N2C)cnn1C ZINC000332004830 532159535 /nfs/dbraw/zinc/15/95/35/532159535.db2.gz NKRGGHXJNZBYAG-ZBFHGGJFSA-N 1 0 378.274 1.948 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000331995104 532159585 /nfs/dbraw/zinc/15/95/85/532159585.db2.gz BEDYSAUMDCACPW-NOZJJQNGSA-N 1 0 384.249 1.592 20 0 GDADRO C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000286565718 532160086 /nfs/dbraw/zinc/16/00/86/532160086.db2.gz FFDQLCXNOUMTQY-CQSZACIVSA-N 1 0 386.543 1.295 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000286883059 532183256 /nfs/dbraw/zinc/18/32/56/532183256.db2.gz FKMYFBUVPLFWQF-HOCLYGCPSA-N 1 0 387.571 1.461 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000286886768 532183779 /nfs/dbraw/zinc/18/37/79/532183779.db2.gz FVWGRHJJLVCXFL-NSHDSACASA-N 1 0 392.319 1.184 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ncc1Br ZINC000332381930 532183802 /nfs/dbraw/zinc/18/38/02/532183802.db2.gz VFUJQIBSUGQVLO-DMDPSCGWSA-N 1 0 381.274 1.677 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1[NH+](C)C ZINC000273799624 532171083 /nfs/dbraw/zinc/17/10/83/532171083.db2.gz ZPBNGSVAWUWCHB-HUUCEWRRSA-N 1 0 386.543 1.446 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000332246085 532173833 /nfs/dbraw/zinc/17/38/33/532173833.db2.gz ARTKMQDAQZYMRN-QWRGUYRKSA-N 1 0 384.249 1.903 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C[C@H]1C[NH3+] ZINC000332250740 532174540 /nfs/dbraw/zinc/17/45/40/532174540.db2.gz LQARLKLARIMYQL-ZYHUDNBSSA-N 1 0 398.276 1.921 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCC(n3cc(Br)cn3)CC2)CC[NH2+]1 ZINC000332252291 532175042 /nfs/dbraw/zinc/17/50/42/532175042.db2.gz AHTKTYARGVNLOG-UHFFFAOYSA-N 1 0 398.305 1.020 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CCCO1 ZINC000332252828 532175146 /nfs/dbraw/zinc/17/51/46/532175146.db2.gz YPOAKXWUDGLNQH-SNVBAGLBSA-N 1 0 383.695 1.841 20 0 GDADRO CN(CCN(C)S(=O)(=O)c1cnc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000286783232 532175446 /nfs/dbraw/zinc/17/54/46/532175446.db2.gz XKLUTCQQJLNEEX-UHFFFAOYSA-N 1 0 378.901 1.521 20 0 GDADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000332623547 532201003 /nfs/dbraw/zinc/20/10/03/532201003.db2.gz SRXBGKDYCVRLNY-RYUDHWBXSA-N 1 0 393.285 1.710 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)s1 ZINC000287072907 532194299 /nfs/dbraw/zinc/19/42/99/532194299.db2.gz LFPSCPDFQQINTM-CHWSQXEVSA-N 1 0 386.543 1.424 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000427944902 532194779 /nfs/dbraw/zinc/19/47/79/532194779.db2.gz IKSRUPAKOWPLOW-CQSZACIVSA-N 1 0 391.559 1.513 20 0 GDADRO O=C(Nc1ccc(I)cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332574786 532196680 /nfs/dbraw/zinc/19/66/80/532196680.db2.gz XXDAUIOSVTZNCF-GHMZBOCLSA-N 1 0 399.232 1.298 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)N1CCc2sccc2C1 ZINC000332589825 532198571 /nfs/dbraw/zinc/19/85/71/532198571.db2.gz LKXGJNPBCVISMV-AEGPPILISA-N 1 0 385.555 1.471 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCc3c(Br)cc(C)cc3C2)CC1 ZINC000332609524 532200249 /nfs/dbraw/zinc/20/02/49/532200249.db2.gz OQHXFXLFLXJBDL-UHFFFAOYSA-N 1 0 394.313 1.853 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)C[NH+](C)C ZINC000286930092 532186091 /nfs/dbraw/zinc/18/60/91/532186091.db2.gz JDECDWCHTZCAOS-GXTWGEPZSA-N 1 0 391.534 1.292 20 0 GDADRO O=C(NC[C@H]1CCSC1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000286942308 532186368 /nfs/dbraw/zinc/18/63/68/532186368.db2.gz FDLHKDBPUSZLFT-HUUCEWRRSA-N 1 0 381.567 1.946 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000286936219 532186581 /nfs/dbraw/zinc/18/65/81/532186581.db2.gz JMTNGSZNXWYKPL-NSHDSACASA-N 1 0 377.557 1.166 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000428539149 532209575 /nfs/dbraw/zinc/20/95/75/532209575.db2.gz YUKGXZWXXWDXIE-ZBFHGGJFSA-N 1 0 384.318 1.994 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000428544953 532209638 /nfs/dbraw/zinc/20/96/38/532209638.db2.gz YVLCBQUEEBJWJZ-HIFRSBDPSA-N 1 0 384.318 1.994 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)s1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000274425894 532210210 /nfs/dbraw/zinc/21/02/10/532210210.db2.gz MPKFUZDSIFDMAS-GHMZBOCLSA-N 1 0 386.315 1.983 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000332781367 532210447 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O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000376780449 532228738 /nfs/dbraw/zinc/22/87/38/532228738.db2.gz XCFJIZCQRQFPDD-LLVKDONJSA-N 1 0 381.395 1.513 20 0 GDADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000376780638 532228827 /nfs/dbraw/zinc/22/88/27/532228827.db2.gz YGZKRSFTXCOHIR-GFCCVEGCSA-N 1 0 381.395 1.513 20 0 GDADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333302264 532228911 /nfs/dbraw/zinc/22/89/11/532228911.db2.gz LZQBBAKMVYEKEG-DFBGVHRSSA-N 1 0 378.270 1.622 20 0 GDADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376780750 532229114 /nfs/dbraw/zinc/22/91/14/532229114.db2.gz YNVBXBKNNQUFBE-AWEZNQCLSA-N 1 0 388.331 1.426 20 0 GDADRO O=C(Nc1cc(N2CCOCC2)c(Br)cn1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333354759 532231356 /nfs/dbraw/zinc/23/13/56/532231356.db2.gz RXLWVBLYHISYMM-MSRIBSCDSA-N 1 0 382.262 1.020 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N1CC[NH+]2CCC1CC2 ZINC000376843476 532231402 /nfs/dbraw/zinc/23/14/02/532231402.db2.gz JQEZLNMHTKNNPP-UHFFFAOYSA-N 1 0 392.934 1.169 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ncsc3C(F)(F)F)CC2)C1=O ZINC000333377704 532232141 /nfs/dbraw/zinc/23/21/41/532232141.db2.gz AYVVWBWHPTYKOJ-SNVBAGLBSA-N 1 0 376.404 1.587 20 0 GDADRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000429721434 532233088 /nfs/dbraw/zinc/23/30/88/532233088.db2.gz RKQSHWYQKKPTIH-KGLIPLIRSA-N 1 0 389.905 1.737 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274802103 532234536 /nfs/dbraw/zinc/23/45/36/532234536.db2.gz PDBXDPSOOFFRGC-ZIAGYGMSSA-N 1 0 386.539 1.537 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1[nH]nc(C2CC2)c1Br ZINC000274652946 532222899 /nfs/dbraw/zinc/22/28/99/532222899.db2.gz WZZIOHZADIKWAS-LLVKDONJSA-N 1 0 384.322 1.805 20 0 GDADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NS(=O)(=O)N2CCOCC2)CC1 ZINC000333150112 532222926 /nfs/dbraw/zinc/22/29/26/532222926.db2.gz ANTRRJICZHYRON-UHFFFAOYSA-N 1 0 389.905 1.802 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC[C@@H]1[NH3+] ZINC000429187196 532224527 /nfs/dbraw/zinc/22/45/27/532224527.db2.gz WDKZMBSJDFIRSW-DYEKYZERSA-N 1 0 380.286 1.998 20 0 GDADRO COC(=O)[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1c1ccc(Cl)cc1 ZINC000429168119 532225108 /nfs/dbraw/zinc/22/51/08/532225108.db2.gz NULUFNPEVHDRAA-JKSUJKDBSA-N 1 0 388.917 1.810 20 0 GDADRO CC1(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C[NH2+]C1 ZINC000333234802 532226204 /nfs/dbraw/zinc/22/62/04/532226204.db2.gz CTKUWORQYLUZMW-UHFFFAOYSA-N 1 0 392.308 1.436 20 0 GDADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376726551 532226467 /nfs/dbraw/zinc/22/64/67/532226467.db2.gz AGOHFFSWCJSFCR-HNNXBMFYSA-N 1 0 377.432 1.515 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC[NH2+]1 ZINC000377077439 532240574 /nfs/dbraw/zinc/24/05/74/532240574.db2.gz KTJDRNFLXCWCKQ-AAEUAGOBSA-N 1 0 396.285 1.821 20 0 GDADRO C[C@@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cn1 ZINC000333613064 532241899 /nfs/dbraw/zinc/24/18/99/532241899.db2.gz QVJBXGAKQKTBJN-TZMCWYRMSA-N 1 0 382.306 1.594 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000333651313 532243788 /nfs/dbraw/zinc/24/37/88/532243788.db2.gz VUYMCDHNUBIQLL-GLQYFDAESA-N 1 0 395.301 1.994 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)C1 ZINC000333668353 532243868 /nfs/dbraw/zinc/24/38/68/532243868.db2.gz MRKUTFWOFCMTJW-UGFHNGPFSA-N 1 0 395.301 1.759 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2=O)ccc1Br ZINC000333677002 532244034 /nfs/dbraw/zinc/24/40/34/532244034.db2.gz ZBPKHERCXSQCPS-IUODEOHRSA-N 1 0 395.301 1.914 20 0 GDADRO O=C(COC1C[NH2+]C1)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000430253229 532245650 /nfs/dbraw/zinc/24/56/50/532245650.db2.gz DURHSEVAVYSYAW-UHFFFAOYSA-N 1 0 396.285 1.615 20 0 GDADRO CC(C)[C@@](C)(C[NH3+])NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000430588313 532251519 /nfs/dbraw/zinc/25/15/19/532251519.db2.gz DBVKTTIDXXGDQS-MRXNPFEDSA-N 1 0 385.306 1.467 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000333831248 532251629 /nfs/dbraw/zinc/25/16/29/532251629.db2.gz JLCFJGKINWRHHF-SWLSCSKDSA-N 1 0 390.502 1.382 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000333835138 532251736 /nfs/dbraw/zinc/25/17/36/532251736.db2.gz NGFAZOMMNAVGMP-KCPJHIHWSA-N 1 0 395.301 1.630 20 0 GDADRO C[C@H](NC(=O)CN(C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000430624156 532252753 /nfs/dbraw/zinc/25/27/53/532252753.db2.gz IIVCTEHWQYIYNG-LBPRGKRZSA-N 1 0 387.311 1.534 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000333862829 532252844 /nfs/dbraw/zinc/25/28/44/532252844.db2.gz SKGRVOOROFLRPA-BYCMXARLSA-N 1 0 395.301 1.630 20 0 GDADRO CC(C)[C@@](C)(CN)[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000430592276 532253249 /nfs/dbraw/zinc/25/32/49/532253249.db2.gz PXNZGRAUTFNWGR-RHSMWYFYSA-N 1 0 387.571 1.227 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000333867916 532253206 /nfs/dbraw/zinc/25/32/06/532253206.db2.gz UCMKHBQJQLIDFR-DFBGVHRSSA-N 1 0 395.301 1.772 20 0 GDADRO O=C(CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccc(Cl)s1 ZINC000430622427 532253690 /nfs/dbraw/zinc/25/36/90/532253690.db2.gz FYILLFVSFQCQDG-CYBMUJFWSA-N 1 0 384.933 1.162 20 0 GDADRO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000333471663 532237404 /nfs/dbraw/zinc/23/74/04/532237404.db2.gz WIUNDCGJOROKGK-ZOBUZTSGSA-N 1 0 390.571 1.090 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000429862368 532237448 /nfs/dbraw/zinc/23/74/48/532237448.db2.gz DAOHALSJRJJKIQ-NSHDSACASA-N 1 0 394.324 1.859 20 0 GDADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000377012370 532237771 /nfs/dbraw/zinc/23/77/71/532237771.db2.gz KBBYLIHRVLDCJT-ZDUSSCGKSA-N 1 0 376.441 1.328 20 0 GDADRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000430709749 532255921 /nfs/dbraw/zinc/25/59/21/532255921.db2.gz ZBSYUOBKWQXAPN-BXKDBHETSA-N 1 0 390.303 1.368 20 0 GDADRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430734414 532256474 /nfs/dbraw/zinc/25/64/74/532256474.db2.gz VQNMUSUYQJGMJY-LKFCYVNXSA-N 1 0 377.304 1.908 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430725432 532256571 /nfs/dbraw/zinc/25/65/71/532256571.db2.gz SZJITUACZYHRKJ-CABZTGNLSA-N 1 0 390.303 1.368 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000430843722 532257353 /nfs/dbraw/zinc/25/73/53/532257353.db2.gz FPVPWSDVVIBLSR-GFCCVEGCSA-N 1 0 379.507 1.626 20 0 GDADRO C[NH2+]C[C@@H]1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430970989 532258421 /nfs/dbraw/zinc/25/84/21/532258421.db2.gz LXYSGEOVVGAHLZ-AWEZNQCLSA-N 1 0 384.318 1.828 20 0 GDADRO C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@@H](c1cccs1)N1CCOCC1 ZINC000431140435 532260407 /nfs/dbraw/zinc/26/04/07/532260407.db2.gz QVUUBBZAFZAYKX-KBPBESRZSA-N 1 0 382.448 1.993 20 0 GDADRO 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NC(=O)[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850672 607326050 /nfs/dbraw/zinc/32/60/50/607326050.db2.gz MTIYFHCTFXEPQO-GJZGRUSLSA-N 1 0 388.497 1.428 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)CCCCC1 ZINC000821581099 607332575 /nfs/dbraw/zinc/33/25/75/607332575.db2.gz CHXOHOSKDYBASE-UHFFFAOYSA-N 1 0 389.435 1.325 20 0 GDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820697801 607336826 /nfs/dbraw/zinc/33/68/26/607336826.db2.gz MJZIJIBNWLLKIK-RYUDHWBXSA-N 1 0 389.435 1.323 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737160247 598240213 /nfs/dbraw/zinc/24/02/13/598240213.db2.gz WXQFMUOCEZJLRW-UHFFFAOYSA-N 1 0 379.424 1.162 20 0 GDADRO COc1ccnc(N2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)c1 ZINC000737158293 598250813 /nfs/dbraw/zinc/25/08/13/598250813.db2.gz DUFZDLWCPREZBT-UHFFFAOYSA-N 1 0 390.451 1.845 20 0 GDADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000736482167 598257919 /nfs/dbraw/zinc/25/79/19/598257919.db2.gz VWWUTSKJZDXRBF-ZWKOTPCHSA-N 1 0 399.499 1.652 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736226703 598266879 /nfs/dbraw/zinc/26/68/79/598266879.db2.gz XQLHHUGUIZPHRE-CHWSQXEVSA-N 1 0 393.517 1.297 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736239850 598267112 /nfs/dbraw/zinc/26/71/12/598267112.db2.gz YEZJXQKWQPUQPU-MJBXVCDLSA-N 1 0 391.501 1.288 20 0 GDADRO C[C@@H](CNC(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)[N@H+](C)C1CC1 ZINC000736017319 598270321 /nfs/dbraw/zinc/27/03/21/598270321.db2.gz LEHLSHZPOFFPDR-AWEZNQCLSA-N 1 0 399.499 1.902 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000737001905 598271067 /nfs/dbraw/zinc/27/10/67/598271067.db2.gz FYZASTPRALPHMP-AWEZNQCLSA-N 1 0 387.488 1.507 20 0 GDADRO O=C(NCCNc1ncccc1-c1nn[nH]n1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000738078559 598272228 /nfs/dbraw/zinc/27/22/28/598272228.db2.gz RZFMNURIBFNIIC-OAHLLOKOSA-N 1 0 399.503 1.334 20 0 GDADRO C[C@H](C(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736236989 598285936 /nfs/dbraw/zinc/28/59/36/598285936.db2.gz NBBKAOMPDOPSKY-OWCLPIDISA-N 1 0 383.500 1.777 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736264900 598325474 /nfs/dbraw/zinc/32/54/74/598325474.db2.gz HKHXQBZDZNYUFQ-QWHCGFSZSA-N 1 0 375.452 1.925 20 0 GDADRO C[N@H+](CCNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000736799697 598330431 /nfs/dbraw/zinc/33/04/31/598330431.db2.gz DRIFCGRVYIYSHO-UHFFFAOYSA-N 1 0 382.424 1.863 20 0 GDADRO CC(C)C[N@H+](CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)C1CC1 ZINC000735830223 598333846 /nfs/dbraw/zinc/33/38/46/598333846.db2.gz VYTHNPBPDQDSNC-UHFFFAOYSA-N 1 0 383.456 1.709 20 0 GDADRO CC(C)[C@@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000735751170 598334123 /nfs/dbraw/zinc/33/41/23/598334123.db2.gz USTODTVBQBFGGT-INIZCTEOSA-N 1 0 383.456 1.709 20 0 GDADRO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737473214 598350798 /nfs/dbraw/zinc/35/07/98/598350798.db2.gz ASBPYYOOUSHQNT-INIZCTEOSA-N 1 0 382.472 1.866 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000735561487 598352845 /nfs/dbraw/zinc/35/28/45/598352845.db2.gz KOIACSATJYJSQU-AWEZNQCLSA-N 1 0 380.456 1.802 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736854574 598357707 /nfs/dbraw/zinc/35/77/07/598357707.db2.gz DOLMQTJUCXIFEP-OAHLLOKOSA-N 1 0 382.424 1.863 20 0 GDADRO CC[C@H]1CN(CCn2cccn2)CC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000736406072 598365590 /nfs/dbraw/zinc/36/55/90/598365590.db2.gz IJZKKMIZZCBEGZ-KRWDZBQOSA-N 1 0 396.499 1.538 20 0 GDADRO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737512169 598368974 /nfs/dbraw/zinc/36/89/74/598368974.db2.gz XCCWGJRSWRTRJQ-WMZOPIPTSA-N 1 0 397.483 1.794 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735999489 598391722 /nfs/dbraw/zinc/39/17/22/598391722.db2.gz BABJBBBNDSKABY-NSHDSACASA-N 1 0 378.868 1.278 20 0 GDADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736766865 598464814 /nfs/dbraw/zinc/46/48/14/598464814.db2.gz GROMNPJGFFMYDR-UHFFFAOYSA-N 1 0 381.440 1.522 20 0 GDADRO C[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C[C@H]1CCCOC1 ZINC000736787198 598469770 /nfs/dbraw/zinc/46/97/70/598469770.db2.gz HQNNFWLBXKFVRR-CQSZACIVSA-N 1 0 396.455 1.349 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736458192 598508051 /nfs/dbraw/zinc/50/80/51/598508051.db2.gz WSPRVLIKGCRMCP-QGZVFWFLSA-N 1 0 392.529 1.941 20 0 GDADRO Cc1cc(C)c(NC(=O)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(C)c1 ZINC000737246640 598517740 /nfs/dbraw/zinc/51/77/40/598517740.db2.gz NMPVPONSARDMOW-AWEZNQCLSA-N 1 0 395.471 1.258 20 0 GDADRO CCN(CC)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736532810 598517844 /nfs/dbraw/zinc/51/78/44/598517844.db2.gz DBVNINMMTKWQJB-QAPCUYQASA-N 1 0 395.515 1.778 20 0 GDADRO CCN(CC)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)CC(C)C ZINC000736534101 598521715 /nfs/dbraw/zinc/52/17/15/598521715.db2.gz LWRBBQYWICCGNW-CABCVRRESA-N 1 0 375.525 1.451 20 0 GDADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737040780 598522126 /nfs/dbraw/zinc/52/21/26/598522126.db2.gz QGPKRMFRSRZVTQ-OLZOCXBDSA-N 1 0 398.471 1.781 20 0 GDADRO CCCC(=O)Nc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736415688 598523383 /nfs/dbraw/zinc/52/33/83/598523383.db2.gz IZBMDQVMLWQLQV-CQSZACIVSA-N 1 0 395.471 1.633 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000738384226 598524700 /nfs/dbraw/zinc/52/47/00/598524700.db2.gz DCSFLBJRHVCYMW-ROUUACIJSA-N 1 0 386.500 1.557 20 0 GDADRO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)Nc1sccc1-c1nn[nH]n1 ZINC000737876938 598524830 /nfs/dbraw/zinc/52/48/30/598524830.db2.gz KTFDYKVOEQQHAP-ZDUSSCGKSA-N 1 0 375.502 1.817 20 0 GDADRO CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+]C[C@@H]1CNc3c(-c4nn[nH]n4)cnn3C1)C2 ZINC000735652969 598527229 /nfs/dbraw/zinc/52/72/29/598527229.db2.gz ZRMLWSIZZDFSER-OLZOCXBDSA-N 1 0 396.503 1.204 20 0 GDADRO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737113254 598528149 /nfs/dbraw/zinc/52/81/49/598528149.db2.gz AMBHKPLMMRGPOJ-SJKOYZFVSA-N 1 0 380.456 1.781 20 0 GDADRO Cc1cccc2[nH]cc(CC[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c21 ZINC000737407868 598529458 /nfs/dbraw/zinc/52/94/58/598529458.db2.gz ITHSCRPQQIKLCT-ZDUSSCGKSA-N 1 0 377.456 1.727 20 0 GDADRO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735664609 598530169 /nfs/dbraw/zinc/53/01/69/598530169.db2.gz LNINJYNQFAOKGP-SWLSCSKDSA-N 1 0 396.503 1.724 20 0 GDADRO COC(=O)CC[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736909986 598531104 /nfs/dbraw/zinc/53/11/04/598531104.db2.gz AHDOMPNMUBNGTA-BBRMVZONSA-N 1 0 396.455 1.389 20 0 GDADRO Cc1nc(SCC(=O)N2CCC([NH+](C)C)CC2)c(-c2nn[nH]n2)c(C)c1C ZINC000737483972 598536997 /nfs/dbraw/zinc/53/69/97/598536997.db2.gz QXUAFLFMOWZZTF-UHFFFAOYSA-N 1 0 389.529 1.832 20 0 GDADRO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736569556 598540208 /nfs/dbraw/zinc/54/02/08/598540208.db2.gz JPLJYQBVBOAXEN-UHFFFAOYSA-N 1 0 397.527 1.633 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736757611 598566940 /nfs/dbraw/zinc/56/69/40/598566940.db2.gz VKAAOTREVWPJPL-LLVKDONJSA-N 1 0 377.836 1.011 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@@H]1C1OCCO1)Nc1sccc1-c1nn[nH]n1 ZINC000737843908 598581072 /nfs/dbraw/zinc/58/10/72/598581072.db2.gz OTPASMDBPOCHSC-GFCCVEGCSA-N 1 0 378.458 1.484 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCC1 ZINC000736009418 598594934 /nfs/dbraw/zinc/59/49/34/598594934.db2.gz ZWUSHAWTLIEXGT-YJBOKZPZSA-N 1 0 383.500 1.826 20 0 GDADRO O=C1C[C@H]([N@@H+]2CC[C@H](c3ccccc3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738301653 598616725 /nfs/dbraw/zinc/61/67/25/598616725.db2.gz QPLRXORGGZPXEJ-WMZOPIPTSA-N 1 0 388.431 1.988 20 0 GDADRO COc1ccc(CC[NH+]2CCN(c3c(-c4nn[nH]n4)c(C)nn3C)CC2)cc1 ZINC000737086675 598634733 /nfs/dbraw/zinc/63/47/33/598634733.db2.gz AVJHGRXKXFTTSQ-UHFFFAOYSA-N 1 0 382.472 1.282 20 0 GDADRO C[C@@H](CNC(=O)COc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000736015008 598666110 /nfs/dbraw/zinc/66/61/10/598666110.db2.gz WKKQZTJWXVSKLW-HNNXBMFYSA-N 1 0 380.452 1.882 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736757115 598688612 /nfs/dbraw/zinc/68/86/12/598688612.db2.gz PEHSKDHTPZYCIC-HNNXBMFYSA-N 1 0 379.424 1.830 20 0 GDADRO CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000736787162 598708210 /nfs/dbraw/zinc/70/82/10/598708210.db2.gz GZDCLJVTBMYIOW-CYBMUJFWSA-N 1 0 375.864 1.627 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736237015 598716673 /nfs/dbraw/zinc/71/66/73/598716673.db2.gz NJQORSJLMHEAOB-IYBDPMFKSA-N 1 0 387.507 1.996 20 0 GDADRO Cc1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000737497716 598718051 /nfs/dbraw/zinc/71/80/51/598718051.db2.gz DVJLKDBOQRAUQJ-UHFFFAOYSA-N 1 0 381.444 1.561 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@H](C3OCCO3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738289589 598764509 /nfs/dbraw/zinc/76/45/09/598764509.db2.gz JGYOKBYZTOBMNI-GDBMZVCRSA-N 1 0 384.440 1.057 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)NCc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737159216 598800981 /nfs/dbraw/zinc/80/09/81/598800981.db2.gz KZBMAHQZVHJVIG-UHFFFAOYSA-N 1 0 394.439 1.302 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000736290530 599300689 /nfs/dbraw/zinc/30/06/89/599300689.db2.gz QQIJESRFUWVEND-CZUORRHYSA-N 1 0 378.502 1.405 20 0 GDADRO O=C1CN(C[N@@H+]2CCC3(CCCC3)C2)C(=O)N1Cc1ccccc1-c1nn[nH]n1 ZINC000823536082 599330876 /nfs/dbraw/zinc/33/08/76/599330876.db2.gz QSLFIFRDCHGQMK-UHFFFAOYSA-N 1 0 395.467 1.855 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000820752347 599347592 /nfs/dbraw/zinc/34/75/92/599347592.db2.gz MAZBUYIFOIZPMV-PWSUYJOCSA-N 1 0 384.893 1.481 20 0 GDADRO CC[C@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)[NH+](CC)CC ZINC000736313121 599358650 /nfs/dbraw/zinc/35/86/50/599358650.db2.gz LHRBIVZREXZDRE-MRXNPFEDSA-N 1 0 389.479 1.775 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000822222330 599361339 /nfs/dbraw/zinc/36/13/39/599361339.db2.gz CPEFPRSMHWUEGF-HNNXBMFYSA-N 1 0 390.513 1.672 20 0 GDADRO Cc1nnc2c(N3CCC[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)nccn12 ZINC000737534706 599362498 /nfs/dbraw/zinc/36/24/98/599362498.db2.gz UZBAUHZLPMZPFV-UHFFFAOYSA-N 1 0 390.455 1.325 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821614809 599370635 /nfs/dbraw/zinc/37/06/35/599370635.db2.gz VSIJPRJHCQPCBV-QGZVFWFLSA-N 1 0 398.492 1.762 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 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O=C1COc2ccccc2N1CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000823540316 607484986 /nfs/dbraw/zinc/48/49/86/607484986.db2.gz AJCYJVVZEAQSNE-UHFFFAOYSA-N 1 0 382.399 1.911 20 0 GDADRO COc1ccc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)cc1-c1nn[nH]n1 ZINC000826194334 607496385 /nfs/dbraw/zinc/49/63/85/607496385.db2.gz JMHYIRJSLZPOFM-UHFFFAOYSA-N 1 0 380.456 1.686 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000826182991 607518191 /nfs/dbraw/zinc/51/81/91/607518191.db2.gz AIRXAIURPUJCAQ-HNNXBMFYSA-N 1 0 394.501 1.169 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000826183201 607519776 /nfs/dbraw/zinc/51/97/76/607519776.db2.gz IAGWUFVXWYWWOE-DAYGRLMNSA-N 1 0 386.500 1.949 20 0 GDADRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C1CC1 ZINC000826150476 607530631 /nfs/dbraw/zinc/53/06/31/607530631.db2.gz FMWZPRKFPIGTDL-JOYOIKCWSA-N 1 0 376.486 1.759 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000826334602 607537980 /nfs/dbraw/zinc/53/79/80/607537980.db2.gz BGGOKXYPTNAJNV-IRXDYDNUSA-N 1 0 380.456 1.750 20 0 GDADRO COc1ccc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826199265 607569222 /nfs/dbraw/zinc/56/92/22/607569222.db2.gz UDFDTZVWGDPTQK-KBPBESRZSA-N 1 0 387.488 1.795 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000826302227 607587617 /nfs/dbraw/zinc/58/76/17/607587617.db2.gz CUELHRIEQZNYIA-UONOGXRCSA-N 1 0 378.502 1.716 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)[N@@H+]1CCC[C@H](C)C1 ZINC000824947735 607588871 /nfs/dbraw/zinc/58/88/71/607588871.db2.gz QFCXCTFPDVYFME-RYUDHWBXSA-N 1 0 382.465 1.405 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000825000450 607614924 /nfs/dbraw/zinc/61/49/24/607614924.db2.gz QQRXJSADIDFNDD-JQWIXIFHSA-N 1 0 382.877 1.377 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(OC)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000825453180 607622517 /nfs/dbraw/zinc/62/25/17/607622517.db2.gz SXHZZWJEKIUEBL-UKRRQHHQSA-N 1 0 387.488 1.890 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739606335 603369500 /nfs/dbraw/zinc/36/95/00/603369500.db2.gz GXYIHOOLWLWVRS-INIZCTEOSA-N 1 0 382.549 1.792 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000825412331 607654066 /nfs/dbraw/zinc/65/40/66/607654066.db2.gz ONJSVHBVEGWKSD-LBPRGKRZSA-N 1 0 382.465 1.358 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC000826301825 607673991 /nfs/dbraw/zinc/67/39/91/607673991.db2.gz QQAOTHOQAHKYRJ-KBPBESRZSA-N 1 0 376.486 1.280 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC000826301826 607674316 /nfs/dbraw/zinc/67/43/16/607674316.db2.gz QQAOTHOQAHKYRJ-KGLIPLIRSA-N 1 0 376.486 1.280 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000824261664 607677836 /nfs/dbraw/zinc/67/78/36/607677836.db2.gz OGHIQWKNPCQMGC-AWEZNQCLSA-N 1 0 378.502 1.513 20 0 GDADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000825858901 607679464 /nfs/dbraw/zinc/67/94/64/607679464.db2.gz AEIKIFMEOFYVGL-UHFFFAOYSA-N 1 0 382.465 1.405 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000826246208 607710393 /nfs/dbraw/zinc/71/03/93/607710393.db2.gz WGKMUGBVYCPHPF-UHFFFAOYSA-N 1 0 397.527 1.806 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000833487641 604938213 /nfs/dbraw/zinc/93/82/13/604938213.db2.gz LBAXDDCBTZEGKX-SJORKVTESA-N 1 0 383.533 1.282 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000833627698 605055018 /nfs/dbraw/zinc/05/50/18/605055018.db2.gz ZIXWDNMFGCGHDS-HNNXBMFYSA-N 1 0 380.464 1.448 20 0 GDADRO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000833686968 605222594 /nfs/dbraw/zinc/22/25/94/605222594.db2.gz WUWBRHXTKPLEJI-UHFFFAOYSA-N 1 0 382.464 1.997 20 0 GDADRO COc1cc(NCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc(OC)c1 ZINC000826180531 607751884 /nfs/dbraw/zinc/75/18/84/607751884.db2.gz LPIMATDODWWZNB-UHFFFAOYSA-N 1 0 394.439 1.733 20 0 GDADRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824697470 607755701 /nfs/dbraw/zinc/75/57/01/607755701.db2.gz CXVSJADZRYRQHH-RYUDHWBXSA-N 1 0 390.513 1.981 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3CNC(=O)[O-])c2)C1 ZINC000833979379 605609276 /nfs/dbraw/zinc/60/92/76/605609276.db2.gz BZQVJAMRNRKMFP-IPMKNSEASA-N 1 0 388.512 1.910 20 0 GDADRO CC[NH+]1CCN(CC(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000529875324 649961450 /nfs/dbraw/zinc/96/14/50/649961450.db2.gz BOKFYMSLAAARPU-UHFFFAOYSA-N 1 0 376.245 1.981 20 0 GDADRO CC(C)[NH+](CCCNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)C(C)C ZINC000820117119 606036979 /nfs/dbraw/zinc/03/69/79/606036979.db2.gz VXJBTXQZEMDKRD-UHFFFAOYSA-N 1 0 381.506 1.435 20 0 GDADRO CC(C)OCC[NH+]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000820146962 606037645 /nfs/dbraw/zinc/03/76/45/606037645.db2.gz VUQABCJHKCGHSH-UHFFFAOYSA-N 1 0 385.394 1.828 20 0 GDADRO C[C@H]1CCc2c(sc(NC(=O)CC[N@@H+]3CC[C@@H](CO)C3)c2-c2nn[nH]n2)C1 ZINC000820726889 606080605 /nfs/dbraw/zinc/08/06/05/606080605.db2.gz COLJVQMAMLAOEN-NWDGAFQWSA-N 1 0 390.513 1.696 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000819866970 606094048 /nfs/dbraw/zinc/09/40/48/606094048.db2.gz PPXFSZVHYHHRFG-GOEBONIOSA-N 1 0 383.500 1.857 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000821255349 606123738 /nfs/dbraw/zinc/12/37/38/606123738.db2.gz YXTDHJNKKLLXTI-MSOLQXFVSA-N 1 0 383.500 1.778 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000821266316 606146089 /nfs/dbraw/zinc/14/60/89/606146089.db2.gz BBZOGFXMRACYHG-LLVKDONJSA-N 1 0 384.893 1.625 20 0 GDADRO O=S(=O)(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000823572083 606147108 /nfs/dbraw/zinc/14/71/08/606147108.db2.gz BDYBTNSFPFBIGB-UHFFFAOYSA-N 1 0 391.501 1.337 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000823333135 606154100 /nfs/dbraw/zinc/15/41/00/606154100.db2.gz YHRSTVHOSOPQCX-GFCCVEGCSA-N 1 0 375.408 1.192 20 0 GDADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nn[nH]n3)C2)CC1 ZINC000820723099 606154796 /nfs/dbraw/zinc/15/47/96/606154796.db2.gz VZVRUBWIKIUGNJ-AWEZNQCLSA-N 1 0 387.492 1.576 20 0 GDADRO C[C@H](CCN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000820242967 606172564 /nfs/dbraw/zinc/17/25/64/606172564.db2.gz RUZBBSJGULZVGD-DNVCBOLYSA-N 1 0 393.495 1.893 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000822614840 606172561 /nfs/dbraw/zinc/17/25/61/606172561.db2.gz USFVZSHHQISLAX-HNNXBMFYSA-N 1 0 381.444 1.559 20 0 GDADRO CC(C)(CO)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000819988316 606219139 /nfs/dbraw/zinc/21/91/39/606219139.db2.gz XYJBRKSBMWTEFK-UHFFFAOYSA-N 1 0 389.410 1.586 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)c(C)c2)CC1 ZINC000821277764 606249750 /nfs/dbraw/zinc/24/97/50/606249750.db2.gz XNUNUVIKRXGWMB-UHFFFAOYSA-N 1 0 380.456 1.897 20 0 GDADRO C[C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000820656806 606261569 /nfs/dbraw/zinc/26/15/69/606261569.db2.gz HFUJPOMXYDWVLE-WMLDXEAASA-N 1 0 379.468 1.988 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000821623218 606284634 /nfs/dbraw/zinc/28/46/34/606284634.db2.gz GNQONLLRFHIKGK-UHFFFAOYSA-N 1 0 380.456 1.964 20 0 GDADRO C[C@@H]1C[N@@H+](CCCCNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000820758851 606296350 /nfs/dbraw/zinc/29/63/50/606296350.db2.gz DUAMHHIRQIABKB-IYBDPMFKSA-N 1 0 386.500 1.805 20 0 GDADRO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823175633 606299735 /nfs/dbraw/zinc/29/97/35/606299735.db2.gz KZWBBBIYUWODOY-GOSISDBHSA-N 1 0 395.467 1.370 20 0 GDADRO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823175634 606300009 /nfs/dbraw/zinc/30/00/09/606300009.db2.gz KZWBBBIYUWODOY-SFHVURJKSA-N 1 0 395.467 1.370 20 0 GDADRO O=S(=O)(CC[NH2+]CCc1ccccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562385 606308546 /nfs/dbraw/zinc/30/85/46/606308546.db2.gz RJNVXUATZWGTHR-UHFFFAOYSA-N 1 0 375.429 1.612 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820703590 606309287 /nfs/dbraw/zinc/30/92/87/606309287.db2.gz IDGXALQAKAPQMK-PBHICJAKSA-N 1 0 393.513 1.825 20 0 GDADRO COCc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821695654 606309637 /nfs/dbraw/zinc/30/96/37/606309637.db2.gz BPBYAVCAJJQQFJ-UHFFFAOYSA-N 1 0 387.465 1.577 20 0 GDADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821000325 606393668 /nfs/dbraw/zinc/39/36/68/606393668.db2.gz CVPRDQPHWVYERN-DLBZAZTESA-N 1 0 399.499 1.904 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)C[NH+]1CCCCC1 ZINC000820259931 606397772 /nfs/dbraw/zinc/39/77/72/606397772.db2.gz DBMMUVXXXBZOKL-GFCCVEGCSA-N 1 0 389.435 1.183 20 0 GDADRO c1nnc(CC[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)[nH]1 ZINC000823751215 606413044 /nfs/dbraw/zinc/41/30/44/606413044.db2.gz BDWPMPOGUDPMOM-UHFFFAOYSA-N 1 0 376.424 1.896 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000821575730 606462057 /nfs/dbraw/zinc/46/20/57/606462057.db2.gz NHKHVHRZGYDGHF-GFCCVEGCSA-N 1 0 378.868 1.270 20 0 GDADRO COC[C@@](C)(CO)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000821680515 606480827 /nfs/dbraw/zinc/48/08/27/606480827.db2.gz LMYUZZVAOOFRKY-HXUWFJFHSA-N 1 0 383.452 1.933 20 0 GDADRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000819921868 606622873 /nfs/dbraw/zinc/62/28/73/606622873.db2.gz CHCAGFJNVYAYNQ-CQSZACIVSA-N 1 0 386.456 1.859 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000821255359 606637311 /nfs/dbraw/zinc/63/73/11/606637311.db2.gz YYQHUCJWHZSRKT-DGCLKSJQSA-N 1 0 389.435 1.276 20 0 GDADRO Cc1cc(=O)[nH]c(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822210461 606655785 /nfs/dbraw/zinc/65/57/85/606655785.db2.gz CNAWYHSLGNTODC-UHFFFAOYSA-N 1 0 380.456 1.379 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820092163 606662651 /nfs/dbraw/zinc/66/26/51/606662651.db2.gz IDRWWJHFHCDMJV-LBPRGKRZSA-N 1 0 380.399 1.232 20 0 GDADRO C[C@@]1(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCO1 ZINC000820612894 606673382 /nfs/dbraw/zinc/67/33/82/606673382.db2.gz MTNBNGLYXRGTTK-FQEVSTJZSA-N 1 0 399.499 1.653 20 0 GDADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821243179 606679234 /nfs/dbraw/zinc/67/92/34/606679234.db2.gz ZVGNCFAFLRQMRA-CRAIPNDOSA-N 1 0 398.515 1.034 20 0 GDADRO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820981039 606700385 /nfs/dbraw/zinc/70/03/85/606700385.db2.gz OGDNHELWJVGKIS-OLZOCXBDSA-N 1 0 389.508 1.216 20 0 GDADRO CC(C)N(C(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(C)C ZINC000819854016 606701833 /nfs/dbraw/zinc/70/18/33/606701833.db2.gz AEWOAYXWJRBMKH-LBPRGKRZSA-N 1 0 377.497 1.070 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1nc(-c2ccsc2)no1 ZINC000821601701 606702193 /nfs/dbraw/zinc/70/21/93/606702193.db2.gz VPXFDJMHTAGYLY-UHFFFAOYSA-N 1 0 386.445 1.348 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000823176663 606734746 /nfs/dbraw/zinc/73/47/46/606734746.db2.gz WJSCFCQWEDNSMU-JTQLQIEISA-N 1 0 389.847 1.059 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)CC[N@@H+]1C ZINC000820656396 606741046 /nfs/dbraw/zinc/74/10/46/606741046.db2.gz FDCQYWXMVLBQTJ-MWLCHTKSSA-N 1 0 377.836 1.058 20 0 GDADRO O=C(CC[NH+]1CCC(OCCCO)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000822964668 606776975 /nfs/dbraw/zinc/77/69/75/606776975.db2.gz NJVVISSSEYMQNF-UHFFFAOYSA-N 1 0 380.474 1.120 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C[C@@H]1C ZINC000821254901 606844031 /nfs/dbraw/zinc/84/40/31/606844031.db2.gz PTCKJILHFLXUCG-AAEUAGOBSA-N 1 0 382.465 1.499 20 0 GDADRO COc1cccc([C@@H](C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)N(C)C)c1 ZINC000821859266 606846122 /nfs/dbraw/zinc/84/61/22/606846122.db2.gz NEUCMFFBVNITJB-RTBURBONSA-N 1 0 382.468 1.801 20 0 GDADRO O[C@@H](C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681693 606851531 /nfs/dbraw/zinc/85/15/31/606851531.db2.gz IZFALKRGOFOBSZ-PMACEKPBSA-N 1 0 394.479 1.563 20 0 GDADRO O=C(CC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)N1CCCC1 ZINC000822946110 606854653 /nfs/dbraw/zinc/85/46/53/606854653.db2.gz VJEPZELRVJGJRE-GOSISDBHSA-N 1 0 384.484 1.625 20 0 GDADRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822299691 606858017 /nfs/dbraw/zinc/85/80/17/606858017.db2.gz RGULYSGANFWHTI-QZTJIDSGSA-N 1 0 383.452 1.546 20 0 GDADRO Cc1csc(N2CC[N@@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)n1 ZINC000822414828 606859669 /nfs/dbraw/zinc/85/96/69/606859669.db2.gz WEEWYVABETZHQK-CJNGLKHVSA-N 1 0 385.497 1.876 20 0 GDADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC[N@@H+]1C ZINC000820656462 606891526 /nfs/dbraw/zinc/89/15/26/606891526.db2.gz FKOSYSNTIJGTET-KOLCDFICSA-N 1 0 386.428 1.248 20 0 GDADRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819899380 606898637 /nfs/dbraw/zinc/89/86/37/606898637.db2.gz UKXMDBISXVQPQL-YOEHRIQHSA-N 1 0 386.500 1.774 20 0 GDADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCCOc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000821361822 606903143 /nfs/dbraw/zinc/90/31/43/606903143.db2.gz WYCTZPBJHVFZDQ-QZTJIDSGSA-N 1 0 387.484 1.888 20 0 GDADRO c1coc(-c2nc(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cs2)c1 ZINC000823815952 606923840 /nfs/dbraw/zinc/92/38/40/606923840.db2.gz MAEXROOQEJMCFV-SNVBAGLBSA-N 1 0 383.441 1.611 20 0 GDADRO O=C1CCCCN1CC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823531088 606927325 /nfs/dbraw/zinc/92/73/25/606927325.db2.gz 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ZINC000824893768 608761411 /nfs/dbraw/zinc/76/14/11/608761411.db2.gz UMYZTEYLSSVUJV-CRAIPNDOSA-N 1 0 399.499 1.652 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000825326397 608811924 /nfs/dbraw/zinc/81/19/24/608811924.db2.gz DALCTLAFAXRJQQ-MRXNPFEDSA-N 1 0 380.456 1.747 20 0 GDADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)cn1 ZINC000826359859 608858298 /nfs/dbraw/zinc/85/82/98/608858298.db2.gz RRIILDGUGURYFT-RDJZCZTQSA-N 1 0 393.455 1.336 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000826518774 608859133 /nfs/dbraw/zinc/85/91/33/608859133.db2.gz XFQGXUGKMMMJLK-ZDUSSCGKSA-N 1 0 390.455 1.890 20 0 GDADRO CN(C)c1ncc(C[N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)cn1 ZINC000825914451 609140241 /nfs/dbraw/zinc/14/02/41/609140241.db2.gz GAGRWOIIMFZRIU-UHFFFAOYSA-N 1 0 387.473 1.245 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C1 ZINC000825412851 609160038 /nfs/dbraw/zinc/16/00/38/609160038.db2.gz VOQNXTONSQRFTA-QGZVFWFLSA-N 1 0 394.483 1.917 20 0 GDADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000825668648 609187862 /nfs/dbraw/zinc/18/78/62/609187862.db2.gz HYJRGTYNNLLCOZ-UHFFFAOYSA-N 1 0 397.464 1.598 20 0 GDADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825416026 609196764 /nfs/dbraw/zinc/19/67/64/609196764.db2.gz GSMYUPSYPYPXED-UHFFFAOYSA-N 1 0 383.456 1.845 20 0 GDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)CC1 ZINC000825459980 609197718 /nfs/dbraw/zinc/19/77/18/609197718.db2.gz PIFHTNIVKMECEB-UHFFFAOYSA-N 1 0 394.483 1.262 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825854517 609207126 /nfs/dbraw/zinc/20/71/26/609207126.db2.gz CJDWGSBBPXYERQ-MSOLQXFVSA-N 1 0 380.452 1.189 20 0 GDADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826439300 609232955 /nfs/dbraw/zinc/23/29/55/609232955.db2.gz OAEFAOFHILDFMM-UHFFFAOYSA-N 1 0 395.467 1.642 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825213535 609238943 /nfs/dbraw/zinc/23/89/43/609238943.db2.gz ZUPRGQLZZVOSEZ-OZVIIMIRSA-N 1 0 396.492 1.717 20 0 GDADRO C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)C1CC[NH+](C)CC1 ZINC000824657571 609241846 /nfs/dbraw/zinc/24/18/46/609241846.db2.gz RHQCJZNHKQPETN-AWEZNQCLSA-N 1 0 385.516 1.970 20 0 GDADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826431376 609243060 /nfs/dbraw/zinc/24/30/60/609243060.db2.gz ZPFUTVIDHGWTJC-SFHVURJKSA-N 1 0 384.484 1.813 20 0 GDADRO COCCN1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826159428 609338604 /nfs/dbraw/zinc/33/86/04/609338604.db2.gz FVQAULKRXWHSLC-GOSISDBHSA-N 1 0 396.499 1.468 20 0 GDADRO Cn1cc(C[NH2+]CCOC[C@@H]2CCOC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361978 609338874 /nfs/dbraw/zinc/33/88/74/609338874.db2.gz YIONLJIPFNLSGU-CQSZACIVSA-N 1 0 383.456 1.410 20 0 GDADRO Cn1cc(C[NH2+]CC(=O)NC2CCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361317 609339161 /nfs/dbraw/zinc/33/91/61/609339161.db2.gz SMLJFCPBMPOIOL-UHFFFAOYSA-N 1 0 380.456 1.416 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825659140 609339352 /nfs/dbraw/zinc/33/93/52/609339352.db2.gz OVYRPDYJWVZDBB-GFCCVEGCSA-N 1 0 389.485 1.180 20 0 GDADRO C[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824522402 609350490 /nfs/dbraw/zinc/35/04/90/609350490.db2.gz SBCRLANUHDTNBT-CYBMUJFWSA-N 1 0 381.440 1.693 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C1 ZINC000826028743 609363078 /nfs/dbraw/zinc/36/30/78/609363078.db2.gz HFLWQCXDLHCOOX-LLVKDONJSA-N 1 0 385.407 1.407 20 0 GDADRO C[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H]1CCCC[C@@H]1O ZINC000825892106 609375778 /nfs/dbraw/zinc/37/57/78/609375778.db2.gz GEKQLAQXEJAHAA-ABAIWWIYSA-N 1 0 378.864 1.942 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(-c2nn[nH]n2)cs1 ZINC000826442744 609417242 /nfs/dbraw/zinc/41/72/42/609417242.db2.gz JQMFJLJLNLFACM-OAHLLOKOSA-N 1 0 384.465 1.425 20 0 GDADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(-c3nn[nH]n3)nc2)cc1 ZINC000826188813 609468839 /nfs/dbraw/zinc/46/88/39/609468839.db2.gz HKGXIXUSCCUGHL-SFHVURJKSA-N 1 0 393.451 1.837 20 0 GDADRO CC(C)(C)[C@@H]1CC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000824079926 609501372 /nfs/dbraw/zinc/50/13/72/609501372.db2.gz SOGYQAALNPGKEI-OAHLLOKOSA-N 1 0 397.483 1.956 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000826494335 609550443 /nfs/dbraw/zinc/55/04/43/609550443.db2.gz YBRLXTSSDXGICW-LBPRGKRZSA-N 1 0 396.904 1.627 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)c2c[nH+]ccc21 ZINC000826038710 609556270 /nfs/dbraw/zinc/55/62/70/609556270.db2.gz VWQFQQONLFKGAM-UHFFFAOYSA-N 1 0 391.844 1.560 20 0 GDADRO COCCOc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1C ZINC000530890728 649983498 /nfs/dbraw/zinc/98/34/98/649983498.db2.gz KMSBEWQMBRHCBB-QGZVFWFLSA-N 1 0 388.555 1.736 20 0 GDADRO CC[C@H](C(=O)NCCNS(=O)(=O)c1cc(C)sc1C)[NH+](CC)CC ZINC000532524601 650026543 /nfs/dbraw/zinc/02/65/43/650026543.db2.gz CALMOCDCRYDODY-CQSZACIVSA-N 1 0 375.560 1.880 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1)NC(=O)NCC(F)(F)F ZINC000532968604 650038961 /nfs/dbraw/zinc/03/89/61/650038961.db2.gz LLLWLHKHPUWCLZ-SECBINFHSA-N 1 0 379.301 1.808 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000534526702 650224002 /nfs/dbraw/zinc/22/40/02/650224002.db2.gz DGVDVZXWOQIYHQ-UHFFFAOYSA-N 1 0 393.241 1.441 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCCNc1cc[nH+]cc1 ZINC000534521979 650224017 /nfs/dbraw/zinc/22/40/17/650224017.db2.gz NPGGJZPWSPBGKH-SNVBAGLBSA-N 1 0 397.298 1.674 20 0 GDADRO COc1ccsc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000534653411 650227669 /nfs/dbraw/zinc/22/76/69/650227669.db2.gz NPGQTLMIVYVENJ-LBPRGKRZSA-N 1 0 377.532 1.128 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000536834939 650281405 /nfs/dbraw/zinc/28/14/05/650281405.db2.gz WMJNQGLECRBXRK-ZDUSSCGKSA-N 1 0 391.559 1.305 20 0 GDADRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1(C)C ZINC000538398096 650309234 /nfs/dbraw/zinc/30/92/34/650309234.db2.gz JXJNYZZGPZVWDM-DAXOMENPSA-N 1 0 388.555 1.918 20 0 GDADRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cc2c(cc1Br)OCCO2 ZINC000539278893 650332233 /nfs/dbraw/zinc/33/22/33/650332233.db2.gz BPGZTIPOSUQTKP-VIFPVBQESA-N 1 0 384.230 1.423 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(S(N)(=O)=O)cc1Cl ZINC000539489464 650335754 /nfs/dbraw/zinc/33/57/54/650335754.db2.gz GLEOKRGFVRHMFO-UHFFFAOYSA-N 1 0 385.873 1.784 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1Br ZINC000539500371 650335836 /nfs/dbraw/zinc/33/58/36/650335836.db2.gz FHTZGYOVDBLAES-UHFFFAOYSA-N 1 0 390.303 1.312 20 0 GDADRO C[C@@H]1CN(C(=O)NCCSCC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000539910869 650343127 /nfs/dbraw/zinc/34/31/27/650343127.db2.gz XYEGWCKNPRMUKM-ZIAGYGMSSA-N 1 0 382.496 1.949 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000540603409 650364960 /nfs/dbraw/zinc/36/49/60/650364960.db2.gz YARBORGQULOWHQ-YPMHNXCESA-N 1 0 376.425 1.317 20 0 GDADRO C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000540723518 650368705 /nfs/dbraw/zinc/36/87/05/650368705.db2.gz QYLYVIFOSWSJCY-ZOWXZIJZSA-N 1 0 386.514 1.892 20 0 GDADRO C[NH+](C)CCOCCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000540845324 650370813 /nfs/dbraw/zinc/37/08/13/650370813.db2.gz FTOZIDSAVLBIFT-OAHLLOKOSA-N 1 0 398.301 1.496 20 0 GDADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccccc2Cn2cncn2)CCSC1 ZINC000540965551 650374800 /nfs/dbraw/zinc/37/48/00/650374800.db2.gz DXBPYXPVJNMTRT-INIZCTEOSA-N 1 0 381.527 1.042 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000541370459 650383050 /nfs/dbraw/zinc/38/30/50/650383050.db2.gz DLDBXROXDPTSSE-UHFFFAOYSA-N 1 0 375.441 1.710 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000541537835 650386259 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396.333 1.902 20 0 GDADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CSc1nnnn1CC(F)(F)F ZINC000329383333 645309635 /nfs/dbraw/zinc/30/96/35/645309635.db2.gz OMTGHCQPGGZWQB-MNOVXSKESA-N 1 0 378.424 1.413 20 0 GDADRO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000329568240 645316606 /nfs/dbraw/zinc/31/66/06/645316606.db2.gz HYKCTMBYGGFBCM-QKPAOTATSA-N 1 0 380.576 1.097 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)CCNS(=O)(=O)c2ccccc2Cl)C[C@H]1C ZINC000330596847 645380989 /nfs/dbraw/zinc/38/09/89/645380989.db2.gz YORLXUFXWCNPBV-KGLIPLIRSA-N 1 0 387.933 1.950 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)Nc1c(F)cccc1F ZINC000330619156 645384697 /nfs/dbraw/zinc/38/46/97/645384697.db2.gz YZWNFPWWMCBADH-GDLCADMTSA-N 1 0 375.441 1.742 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000330620205 645385230 /nfs/dbraw/zinc/38/52/30/645385230.db2.gz JHZGWYKTKOGKJQ-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000569606558 651006974 /nfs/dbraw/zinc/00/69/74/651006974.db2.gz ATLFCBSVZJZCMY-MNOVXSKESA-N 1 0 394.324 1.715 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(Br)o2)CC1 ZINC000330837003 645425977 /nfs/dbraw/zinc/42/59/77/645425977.db2.gz XKFQYMKJLLGNJI-LBPRGKRZSA-N 1 0 394.335 1.594 20 0 GDADRO CCc1n[nH]c(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1Br ZINC000330944527 645439711 /nfs/dbraw/zinc/43/97/11/645439711.db2.gz FLRYWFIYKRTPKY-UHFFFAOYSA-N 1 0 386.338 1.881 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)cc1 ZINC000330979957 645446989 /nfs/dbraw/zinc/44/69/89/645446989.db2.gz DRZNZXNYKQCKET-OAHLLOKOSA-N 1 0 385.555 1.727 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000331089931 645463449 /nfs/dbraw/zinc/46/34/49/645463449.db2.gz GXSWKPIEWOZNPX-ZBFHGGJFSA-N 1 0 377.576 1.134 20 0 GDADRO COc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1Cl ZINC000331170712 645473738 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GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000415508048 645894719 /nfs/dbraw/zinc/89/47/19/645894719.db2.gz FEQXRHUZODOSJC-ZETCQYMHSA-N 1 0 390.209 1.024 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415509727 645895102 /nfs/dbraw/zinc/89/51/02/645895102.db2.gz IJSCHLACCFRCGB-ZETCQYMHSA-N 1 0 398.179 1.997 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415509379 645895137 /nfs/dbraw/zinc/89/51/37/645895137.db2.gz HMFYSKODAQDUQH-SNVBAGLBSA-N 1 0 380.246 1.284 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH3+])nn1-c1ccc(Cl)c(Cl)c1 ZINC000415510342 645895329 /nfs/dbraw/zinc/89/53/29/645895329.db2.gz KCCIUWUTRFVVBB-SECBINFHSA-N 1 0 384.267 2.137 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415530210 645896263 /nfs/dbraw/zinc/89/62/63/645896263.db2.gz XLXVFECVLJEATI-CYBMUJFWSA-N 1 0 381.274 1.773 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000415534771 645897407 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396.329 1.956 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000422046145 646034335 /nfs/dbraw/zinc/03/43/35/646034335.db2.gz ZOXHMONUQFOJJK-NSHDSACASA-N 1 0 390.303 1.263 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000422304748 646058660 /nfs/dbraw/zinc/05/86/60/646058660.db2.gz JCJBGEGCAGGUBV-GFCCVEGCSA-N 1 0 382.302 1.973 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000422518908 646074435 /nfs/dbraw/zinc/07/44/35/646074435.db2.gz OUWXSEQISAVZKY-CQSZACIVSA-N 1 0 382.302 1.926 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC(C)(C)CC[NH3+])cc1F ZINC000422552740 646077465 /nfs/dbraw/zinc/07/74/65/646077465.db2.gz RLTGKEQNBBLJDD-UHFFFAOYSA-N 1 0 381.495 1.383 20 0 GDADRO CC(C)(CC[NH3+])NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000422550476 646077482 /nfs/dbraw/zinc/07/74/82/646077482.db2.gz BHBDBMUQUFCGLP-UHFFFAOYSA-N 1 0 377.264 1.437 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000422560207 646078987 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GDADRO CCOC(=O)c1cc(S(=O)(=O)NC2CC([NH+](C)C)C2)cnc1C(F)F ZINC000916921057 660203424 /nfs/dbraw/zinc/20/34/24/660203424.db2.gz WRQWJJQSZJFDCJ-UHFFFAOYSA-N 1 0 377.413 1.567 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC2CC([NH+](C)C)C2)c1OC ZINC000916920639 660203475 /nfs/dbraw/zinc/20/34/75/660203475.db2.gz SABUDZXCBGRSHR-UHFFFAOYSA-N 1 0 375.878 1.079 20 0 GDADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423096417 646112887 /nfs/dbraw/zinc/11/28/87/646112887.db2.gz HSVFQAWTRZRUGP-GASCZTMLSA-N 1 0 394.313 1.864 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423096318 646113006 /nfs/dbraw/zinc/11/30/06/646113006.db2.gz HIMLWOZZEVSUAH-CABCVRRESA-N 1 0 394.313 1.866 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000423172188 646117189 /nfs/dbraw/zinc/11/71/89/646117189.db2.gz RSVDSFBWXXYQTR-SWLSCSKDSA-N 1 0 380.286 1.920 20 0 GDADRO O=C(C(=O)N1CCc2c(Br)cccc2C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423233480 646120097 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386.543 1.118 20 0 GDADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423554238 646129513 /nfs/dbraw/zinc/12/95/13/646129513.db2.gz LNXPAKGNMSYYDQ-GXFFZTMASA-N 1 0 386.279 1.625 20 0 GDADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423550066 646129653 /nfs/dbraw/zinc/12/96/53/646129653.db2.gz FIZCKBUGVCMKFD-JTQLQIEISA-N 1 0 388.693 1.868 20 0 GDADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423556441 646129676 /nfs/dbraw/zinc/12/96/76/646129676.db2.gz HBLAVIMICPJZJW-OLZOCXBDSA-N 1 0 398.301 1.545 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000423562076 646130044 /nfs/dbraw/zinc/13/00/44/646130044.db2.gz QCPXYNSKYYQXQS-LBPRGKRZSA-N 1 0 382.302 1.790 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)s2)CC[NH2+]1 ZINC000423563499 646130137 /nfs/dbraw/zinc/13/01/37/646130137.db2.gz ICPTZRXPSWFXEU-MNOVXSKESA-N 1 0 386.315 1.994 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Br)C[C@@H](C)[NH2+]1 ZINC000423565990 646130835 /nfs/dbraw/zinc/13/08/35/646130835.db2.gz BQZHXMUDHXLGEN-GHMZBOCLSA-N 1 0 386.265 1.755 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC=C(c3cccc(Br)c3)CC2)C1 ZINC000423572570 646131653 /nfs/dbraw/zinc/13/16/53/646131653.db2.gz QBGSYUQTDYYXKI-MRXNPFEDSA-N 1 0 392.297 1.885 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423578584 646132525 /nfs/dbraw/zinc/13/25/25/646132525.db2.gz LUBTVHAFOCYIRL-UHFFFAOYSA-N 1 0 386.265 1.744 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423580076 646133223 /nfs/dbraw/zinc/13/32/23/646133223.db2.gz QQKFPDJNLNRPLF-AAEUAGOBSA-N 1 0 398.276 1.615 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000423589403 646134602 /nfs/dbraw/zinc/13/46/02/646134602.db2.gz HJPRPNRNPRBYOG-HOCLYGCPSA-N 1 0 394.313 1.975 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)[C@@H](C)C[NH2+]1 ZINC000423629860 646139099 /nfs/dbraw/zinc/13/90/99/646139099.db2.gz KRZGQUHGZDNXNR-STQMWFEESA-N 1 0 384.933 1.255 20 0 GDADRO CCCN(C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1)[C@H]1CC[NH2+]C1 ZINC000423663108 646140595 /nfs/dbraw/zinc/14/05/95/646140595.db2.gz NYALZWADWOCARM-JTQLQIEISA-N 1 0 378.420 1.721 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000423670957 646141491 /nfs/dbraw/zinc/14/14/91/646141491.db2.gz BNAXMWFPSOQRNY-AWEZNQCLSA-N 1 0 394.313 1.975 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000423672619 646141868 /nfs/dbraw/zinc/14/18/68/646141868.db2.gz OERCVCQCSOOFBD-LSDHHAIUSA-N 1 0 398.301 1.372 20 0 GDADRO [NH3+]C[C@@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CCCC1 ZINC000423937960 646143945 /nfs/dbraw/zinc/14/39/45/646143945.db2.gz HZPHCIFNLVWSEI-CQSZACIVSA-N 1 0 394.269 1.679 20 0 GDADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423989556 646149639 /nfs/dbraw/zinc/14/96/39/646149639.db2.gz IKNVTNXRNWOTBV-IUODEOHRSA-N 1 0 398.301 1.308 20 0 GDADRO CC(C)[C@H](C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H](C)[NH3+] ZINC000424008512 646152582 /nfs/dbraw/zinc/15/25/82/646152582.db2.gz YIUUCKRNDIJYSF-YGRLFVJLSA-N 1 0 379.885 1.493 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CCCO1 ZINC000424021000 646153934 /nfs/dbraw/zinc/15/39/34/646153934.db2.gz NDZGHAVBCPDVTG-OAHLLOKOSA-N 1 0 379.258 1.825 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CCCO1 ZINC000424027367 646154600 /nfs/dbraw/zinc/15/46/00/646154600.db2.gz VYPVJIXTWPZIHC-ABAIWWIYSA-N 1 0 386.279 1.923 20 0 GDADRO C[NH2+]CCCN(C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C ZINC000424032831 646155301 /nfs/dbraw/zinc/15/53/01/646155301.db2.gz LWXWTCCHWJDKFH-UHFFFAOYSA-N 1 0 378.292 1.086 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000424065272 646158968 /nfs/dbraw/zinc/15/89/68/646158968.db2.gz XGOXWHUSBZMQPZ-CQSZACIVSA-N 1 0 383.901 1.167 20 0 GDADRO COc1ncc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000424196625 646161869 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20 0 GDADRO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)sc1S(N)(=O)=O ZINC000442149277 646262791 /nfs/dbraw/zinc/26/27/91/646262791.db2.gz GJIHFDYESCKWBJ-GFCCVEGCSA-N 1 0 383.495 1.437 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc(F)c(C(F)F)c3)C2)CC1 ZINC000917889649 660223860 /nfs/dbraw/zinc/22/38/60/660223860.db2.gz HCNXLICIEJGYHX-UHFFFAOYSA-N 1 0 377.432 1.631 20 0 GDADRO C[C@H]1[C@H]([NH2+]CC2(S(=O)(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000903094423 659294476 /nfs/dbraw/zinc/29/44/76/659294476.db2.gz NNEXVMOWOYSTPF-UONOGXRCSA-N 1 0 375.535 1.788 20 0 GDADRO [NH3+]C1CCC(NS(=O)(=O)c2ccc(I)s2)CC1 ZINC000903483413 659316585 /nfs/dbraw/zinc/31/65/85/659316585.db2.gz GVSYKMWARXKFTA-UHFFFAOYSA-N 1 0 386.280 1.901 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903486215 659317324 /nfs/dbraw/zinc/31/73/24/659317324.db2.gz HYFIKNFFQCOJBS-BDAKNGLRSA-N 1 0 398.291 1.868 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH3+])CC2)c(Br)cc1F ZINC000903526316 659330319 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GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)NC)C[C@@H]1C ZINC000442953432 647164223 /nfs/dbraw/zinc/16/42/23/647164223.db2.gz NZILKKAWSUTXHM-UONOGXRCSA-N 1 0 389.543 1.088 20 0 GDADRO NS(=O)(=O)c1cc(Br)cnc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000443423024 647205407 /nfs/dbraw/zinc/20/54/07/647205407.db2.gz AUJISSUJKVCMSR-GHMZBOCLSA-N 1 0 375.292 1.530 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443577880 647217107 /nfs/dbraw/zinc/21/71/07/647217107.db2.gz FXODBYYUFJOWMJ-UONOGXRCSA-N 1 0 380.432 1.622 20 0 GDADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444074280 647239382 /nfs/dbraw/zinc/23/93/82/647239382.db2.gz NKWJWUGOVKFQEC-UHFFFAOYSA-N 1 0 389.543 1.088 20 0 GDADRO COc1cc(CS(=O)(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)sn1 ZINC000920274300 660268501 /nfs/dbraw/zinc/26/85/01/660268501.db2.gz MTACTAZEOOOZRR-RRCSTGOVSA-N 1 0 389.543 1.051 20 0 GDADRO 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ZINC000574539773 651551184 /nfs/dbraw/zinc/55/11/84/651551184.db2.gz HZFBGLYMCXEOGN-WMLDXEAASA-N 1 0 386.539 1.427 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000574641897 651555724 /nfs/dbraw/zinc/55/57/24/651555724.db2.gz XXQMNJWPMWDJCZ-GARJFASQSA-N 1 0 381.420 1.614 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)CCN2C1=O ZINC000574652483 651557386 /nfs/dbraw/zinc/55/73/86/651557386.db2.gz PLJRGGOOHVYQPP-GXSJLCMTSA-N 1 0 397.806 1.291 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000574757322 651565886 /nfs/dbraw/zinc/56/58/86/651565886.db2.gz ZYCVHIJMMBFMDD-SECBINFHSA-N 1 0 385.795 1.197 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1I ZINC000574810592 651571038 /nfs/dbraw/zinc/57/10/38/651571038.db2.gz KBCSJJQKHLNQIC-GXFFZTMASA-N 1 0 394.278 1.876 20 0 GDADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)[C@H]1C ZINC000574838781 651573074 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COc1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(Br)c1OC ZINC000575936299 651611988 /nfs/dbraw/zinc/61/19/88/651611988.db2.gz QYIJJPBPSBAZKD-NWDGAFQWSA-N 1 0 384.274 1.210 20 0 GDADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000575949658 651612982 /nfs/dbraw/zinc/61/29/82/651612982.db2.gz XXKPBKDTNZLCHV-UHFFFAOYSA-N 1 0 376.284 1.646 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000575982009 651614747 /nfs/dbraw/zinc/61/47/47/651614747.db2.gz CBSJOXYCUFFFSJ-CHWSQXEVSA-N 1 0 395.319 1.106 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCC([NH2+]C)CC1 ZINC000575989074 651615876 /nfs/dbraw/zinc/61/58/76/651615876.db2.gz MYNFTHIOLUNKLE-UHFFFAOYSA-N 1 0 388.555 1.328 20 0 GDADRO COc1cc(Br)c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1OC ZINC000576001587 651617233 /nfs/dbraw/zinc/61/72/33/651617233.db2.gz CQCPPXBEJQLMOG-QGZVFWFLSA-N 1 0 399.285 1.653 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000576092031 651628322 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GDADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000576754246 651683704 /nfs/dbraw/zinc/68/37/04/651683704.db2.gz HGOXKNOWOOXWQQ-HZNSRWLBSA-N 1 0 377.919 1.312 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C2CCN(S(C)(=O)=O)CC2)c1 ZINC000576816206 651689139 /nfs/dbraw/zinc/68/91/39/651689139.db2.gz QZYFGNLMXXDVDX-AWEZNQCLSA-N 1 0 376.906 1.402 20 0 GDADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000576819610 651689199 /nfs/dbraw/zinc/68/91/99/651689199.db2.gz KERCFNQEHQHQIB-MRXNPFEDSA-N 1 0 380.242 1.606 20 0 GDADRO CC1(C)OCC[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000576821255 651689679 /nfs/dbraw/zinc/68/96/79/651689679.db2.gz BBLGGXNTUZFSDT-UKRRQHHQSA-N 1 0 386.539 1.421 20 0 GDADRO Cc1ccc(O[C@H](C)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(Br)c1 ZINC000576888003 651693848 /nfs/dbraw/zinc/69/38/48/651693848.db2.gz ZJNRHTDEQOEBLK-BZPMIXESSA-N 1 0 396.285 1.295 20 0 GDADRO CCC(=O)N1CC[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000576980647 651698373 /nfs/dbraw/zinc/69/83/73/651698373.db2.gz SPPCPGPUJZYLMY-KBPBESRZSA-N 1 0 389.265 1.928 20 0 GDADRO COc1ccc(Br)c(CC(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c1 ZINC000576986563 651699719 /nfs/dbraw/zinc/69/97/19/651699719.db2.gz SDIWZZVOAHUEDP-UHFFFAOYSA-N 1 0 395.261 1.167 20 0 GDADRO O=C(CC[NH2+][C@@H](CO)CN1CCOCC1)Nc1ccc(Br)cc1 ZINC000577110426 651707512 /nfs/dbraw/zinc/70/75/12/651707512.db2.gz QSKXLSSIGQKSGM-OAHLLOKOSA-N 1 0 386.290 1.060 20 0 GDADRO CC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000577130702 651709061 /nfs/dbraw/zinc/70/90/61/651709061.db2.gz RWIYVKXXRWAEGG-HNNXBMFYSA-N 1 0 385.555 1.749 20 0 GDADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cncc(Br)c1 ZINC000577125837 651709137 /nfs/dbraw/zinc/70/91/37/651709137.db2.gz ZGAZAHLESQWOBV-BBRMVZONSA-N 1 0 397.317 1.428 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[N@H+](C)C[C@H]1CC ZINC000577246956 651719052 /nfs/dbraw/zinc/71/90/52/651719052.db2.gz ADBXGUGQMFBMME-CQSZACIVSA-N 1 0 389.543 1.090 20 0 GDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)Nc1nc2ccsc2s1 ZINC000577440056 651729209 /nfs/dbraw/zinc/72/92/09/651729209.db2.gz VYPWWVPHACXHAM-UHFFFAOYSA-N 1 0 383.543 1.869 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000577486765 651731909 /nfs/dbraw/zinc/73/19/09/651731909.db2.gz NLCBRSRTKLGYFI-LUYZLQTOSA-N 1 0 392.297 1.489 20 0 GDADRO CCS(=O)(=O)N1CCC(CNC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000577594984 651740260 /nfs/dbraw/zinc/74/02/60/651740260.db2.gz RECXULGAFHRWAX-UHFFFAOYSA-N 1 0 376.567 1.468 20 0 GDADRO CN(CCC[NH3+])S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000577608890 651741354 /nfs/dbraw/zinc/74/13/54/651741354.db2.gz KRMQHZZXAQENEJ-UHFFFAOYSA-N 1 0 389.543 1.221 20 0 GDADRO [NH3+]CC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C(F)F ZINC000577612209 651741642 /nfs/dbraw/zinc/74/16/42/651741642.db2.gz KNZFCQKKWBDGDL-NSHDSACASA-N 1 0 381.470 1.174 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(I)cc1F ZINC000577651773 651745813 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CC[NH+]1CCN([C@H]2CCN(c3nnc4ccc(Br)cn43)C2)CC1 ZINC000596120814 652436785 /nfs/dbraw/zinc/43/67/85/652436785.db2.gz DVYSESJMKRCAOY-AWEZNQCLSA-N 1 0 379.306 1.708 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)c(C)cc1Br ZINC000596128674 652437162 /nfs/dbraw/zinc/43/71/62/652437162.db2.gz IUAPGIZJMFLWCK-INIZCTEOSA-N 1 0 398.257 1.351 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2cccnc2)cc1Cl ZINC000597066591 652446596 /nfs/dbraw/zinc/44/65/96/652446596.db2.gz RCWWNHKECRDGPY-UHFFFAOYSA-N 1 0 383.857 1.590 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000597626983 652455132 /nfs/dbraw/zinc/45/51/32/652455132.db2.gz VZNZSRHCGMPVIA-OAHLLOKOSA-N 1 0 396.285 1.355 20 0 GDADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572437 652508507 /nfs/dbraw/zinc/50/85/07/652508507.db2.gz BAUFGGSNCMROBX-DIFFPNOSSA-N 1 0 398.301 1.493 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1cccc(F)c1I ZINC000599761041 652512807 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CC[NH+]1CCN(c2ccccc2NS(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000607158741 652791068 /nfs/dbraw/zinc/79/10/68/652791068.db2.gz SFTSGISZCYAKGX-UHFFFAOYSA-N 1 0 389.543 1.005 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)C[C@H]1C ZINC000607160835 652792757 /nfs/dbraw/zinc/79/27/57/652792757.db2.gz CTBHSLNTJQAPAY-ZIAGYGMSSA-N 1 0 389.543 1.088 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000608031769 652810925 /nfs/dbraw/zinc/81/09/25/652810925.db2.gz LFYACLPVSHDDMZ-OAHLLOKOSA-N 1 0 389.949 1.899 20 0 GDADRO C[S@@](=O)c1nncn1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000609567684 652849167 /nfs/dbraw/zinc/84/91/67/652849167.db2.gz LPYQEXWKCTYKLN-RUZDIDTESA-N 1 0 379.511 1.203 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2cc(I)c[nH]2)CC1 ZINC000610571648 652886424 /nfs/dbraw/zinc/88/64/24/652886424.db2.gz OGIDXXFDKMAMCR-UHFFFAOYSA-N 1 0 377.226 1.460 20 0 GDADRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCS(=O)(=O)NC(C)(C)C)C1 ZINC000612675247 652940447 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C[NH+](C)CC1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000615512268 652963599 /nfs/dbraw/zinc/96/35/99/652963599.db2.gz FAZYOLSIEGELKO-CYBMUJFWSA-N 1 0 380.286 1.822 20 0 GDADRO C[C@H](C(=O)NCCNC(=O)c1ccc(Br)cn1)[NH+]1[C@H](C)CC[C@H]1C ZINC000617358739 652973199 /nfs/dbraw/zinc/97/31/99/652973199.db2.gz DHIWHXFLPGMGET-JHJVBQTASA-N 1 0 397.317 1.951 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000617414468 652973994 /nfs/dbraw/zinc/97/39/94/652973994.db2.gz JLDUYQLRGNLTEK-GFCCVEGCSA-N 1 0 379.258 1.369 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000617414469 652974059 /nfs/dbraw/zinc/97/40/59/652974059.db2.gz JLDUYQLRGNLTEK-LBPRGKRZSA-N 1 0 379.258 1.369 20 0 GDADRO C[NH+](C)Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cn1 ZINC000617452801 652974531 /nfs/dbraw/zinc/97/45/31/652974531.db2.gz IMSCLWYLZLTUKU-STQMWFEESA-N 1 0 379.404 1.191 20 0 GDADRO Cn1cc(Br)c(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000617705303 652975414 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CCN1CC[NH+](CCCCNC(=O)CCn2cc(Br)cn2)CC1 ZINC000618375482 652982108 /nfs/dbraw/zinc/98/21/08/652982108.db2.gz REZHRDKOFUPTLO-UHFFFAOYSA-N 1 0 386.338 1.570 20 0 GDADRO O=C(CNS(=O)(=O)c1cccs1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620767695 652993366 /nfs/dbraw/zinc/99/33/66/652993366.db2.gz LWCOEMBAXCXLTJ-HNNXBMFYSA-N 1 0 379.507 1.417 20 0 GDADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1-n1cnnn1 ZINC000621659484 652998535 /nfs/dbraw/zinc/99/85/35/652998535.db2.gz KXSHKIOIPGISQB-LBPRGKRZSA-N 1 0 379.262 1.687 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1Br ZINC000622013510 653000888 /nfs/dbraw/zinc/00/08/88/653000888.db2.gz QEVVTLKQSLUPNW-IINYFYTJSA-N 1 0 375.288 1.960 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1Cl ZINC000622013811 653000891 /nfs/dbraw/zinc/00/08/91/653000891.db2.gz VZNZWZBZDYSERR-BONVTDFDSA-N 1 0 375.853 1.939 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622026912 653000966 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COc1ccc(Br)c(CC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000627260633 653069666 /nfs/dbraw/zinc/06/96/66/653069666.db2.gz LINDGJBBQCLELN-KGLIPLIRSA-N 1 0 383.286 1.668 20 0 GDADRO CN(C)c1cc(Br)cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000627266606 653070616 /nfs/dbraw/zinc/07/06/16/653070616.db2.gz BZQPYIREZJSBMK-GOEBONIOSA-N 1 0 382.302 1.796 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000627315571 653071900 /nfs/dbraw/zinc/07/19/00/653071900.db2.gz KMQZXQNKITXCIH-NWDGAFQWSA-N 1 0 388.693 1.975 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C[NH2+]1 ZINC000627315165 653071935 /nfs/dbraw/zinc/07/19/35/653071935.db2.gz YFLWDILALVINMT-CABZTGNLSA-N 1 0 375.803 1.814 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627339666 653072861 /nfs/dbraw/zinc/07/28/61/653072861.db2.gz NJGXFPHKQLXXIZ-CQSZACIVSA-N 1 0 396.285 1.475 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C1 ZINC000627345156 653072948 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O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ncc(Br)cc1Br ZINC000629171856 653135175 /nfs/dbraw/zinc/13/51/75/653135175.db2.gz KZDOSVYZHFVPQW-SECBINFHSA-N 1 0 393.079 1.403 20 0 GDADRO O=C1N[C@H]2CN(Cc3ccncc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000629543170 653170967 /nfs/dbraw/zinc/17/09/67/653170967.db2.gz VDISTRFUSFREMU-JKSUJKDBSA-N 1 0 394.317 1.564 20 0 GDADRO C[NH2+]CCOCCN(C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000629568389 653173005 /nfs/dbraw/zinc/17/30/05/653173005.db2.gz UWUXCSYYDGKLQS-UHFFFAOYSA-N 1 0 379.320 1.391 20 0 GDADRO C[C@@H]1[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)CCS1(=O)=O ZINC000629601201 653176334 /nfs/dbraw/zinc/17/63/34/653176334.db2.gz HTXYQTSXZYDRSH-ZWNOBZJWSA-N 1 0 375.288 1.943 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000629785295 653182003 /nfs/dbraw/zinc/18/20/03/653182003.db2.gz JXJFOICMFRSACM-UHFFFAOYSA-N 1 0 376.284 1.646 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000629912910 653192104 /nfs/dbraw/zinc/19/21/04/653192104.db2.gz AVHMGDLDJYEPAZ-GJZGRUSLSA-N 1 0 383.901 1.038 20 0 GDADRO C[NH2+]C1(CNC(=O)CCNC(=O)c2cc(F)ccc2Br)CCC1 ZINC000629999402 653195487 /nfs/dbraw/zinc/19/54/87/653195487.db2.gz HZBFPLLABJTAJM-UHFFFAOYSA-N 1 0 386.265 1.966 20 0 GDADRO CO[C@H]1CN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)[C@](C)(C[NH3+])C1 ZINC000630368045 653207047 /nfs/dbraw/zinc/20/70/47/653207047.db2.gz PZMZTGJVABMRLU-RNCFNFMXSA-N 1 0 386.367 1.851 20 0 GDADRO COc1cc(C[NH2+]CCN2CCN(C(C)=O)CC2)c(F)cc1Br ZINC000631042335 653229484 /nfs/dbraw/zinc/22/94/84/653229484.db2.gz PQKLZDVCCXCBKW-UHFFFAOYSA-N 1 0 388.281 1.851 20 0 GDADRO Brc1cnccc1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000631038949 653229580 /nfs/dbraw/zinc/22/95/80/653229580.db2.gz PLLMCCJUCPVZNF-UHFFFAOYSA-N 1 0 391.317 1.936 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc2cncc(Br)c2n1 ZINC000631229985 653231855 /nfs/dbraw/zinc/23/18/55/653231855.db2.gz PLSGYOUDQYRZFR-GFCCVEGCSA-N 1 0 378.274 1.368 20 0 GDADRO CNS(=O)(=O)CCC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000631229455 653231863 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20 0 GDADRO C[NH+]1CCN(C[C@H](NS(=O)(=O)c2c[nH]c(=O)s2)c2ccccc2)CC1 ZINC000631895868 653263797 /nfs/dbraw/zinc/26/37/97/653263797.db2.gz ZGKTULKKFJPGDQ-AWEZNQCLSA-N 1 0 382.511 1.116 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000631909793 653267131 /nfs/dbraw/zinc/26/71/31/653267131.db2.gz PGVIMNGAPIQLCH-KBPBESRZSA-N 1 0 381.523 1.794 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000631910166 653267633 /nfs/dbraw/zinc/26/76/33/653267633.db2.gz YCTKCXXKRCFIBE-KRWDZBQOSA-N 1 0 387.933 1.212 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCc1ccc(F)c(Br)c1 ZINC000631914219 653268407 /nfs/dbraw/zinc/26/84/07/653268407.db2.gz PCFJAFFUZZMCPB-LLVKDONJSA-N 1 0 381.267 1.039 20 0 GDADRO CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631915135 653268893 /nfs/dbraw/zinc/26/88/93/653268893.db2.gz GHQVFJDARHBICJ-HNNXBMFYSA-N 1 0 391.331 1.978 20 0 GDADRO CCN(C[C@@H]1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C1)CC(F)(F)F ZINC000631925206 653272016 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COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000631974589 653282896 /nfs/dbraw/zinc/28/28/96/653282896.db2.gz YGZWNYWIHVKEFL-MWLCHTKSSA-N 1 0 375.878 1.161 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000631987867 653285609 /nfs/dbraw/zinc/28/56/09/653285609.db2.gz QVBMRCXRUAWBTH-SJORKVTESA-N 1 0 375.579 1.385 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)s1 ZINC000631998217 653287453 /nfs/dbraw/zinc/28/74/53/653287453.db2.gz VDVRBJVXRFJMQZ-CYBMUJFWSA-N 1 0 379.507 1.711 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)NCCC[NH+]1CCC(O)CC1 ZINC000632002115 653287768 /nfs/dbraw/zinc/28/77/68/653287768.db2.gz MCLACGCMMXLFBY-UHFFFAOYSA-N 1 0 398.348 1.172 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N(Cc2ccccc2)CC(F)F)CC1 ZINC000632066472 653299016 /nfs/dbraw/zinc/29/90/16/653299016.db2.gz GCWRSNCIWHJJBO-UHFFFAOYSA-N 1 0 375.485 1.721 20 0 GDADRO Cn1c2ccc(S(=O)(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2sc1=O ZINC000632112311 653307262 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C[NH+]1CCN(CCCS(=O)(=O)NCC(=O)c2cccc(F)c2Cl)CC1 ZINC000632596604 653381516 /nfs/dbraw/zinc/38/15/16/653381516.db2.gz WAQHIEGCPILPSC-UHFFFAOYSA-N 1 0 391.896 1.219 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000633038752 653423064 /nfs/dbraw/zinc/42/30/64/653423064.db2.gz AABPKXHUHMDKAR-GHMZBOCLSA-N 1 0 392.257 1.521 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000633038759 653423117 /nfs/dbraw/zinc/42/31/17/653423117.db2.gz AABPKXHUHMDKAR-MNOVXSKESA-N 1 0 392.257 1.521 20 0 GDADRO CC[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000634104566 653487440 /nfs/dbraw/zinc/48/74/40/653487440.db2.gz GCFDSTFIJFJDEW-UHFFFAOYSA-N 1 0 394.950 1.417 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000634118523 653487706 /nfs/dbraw/zinc/48/77/06/653487706.db2.gz XGNFTCAZWJAPGF-UHFFFAOYSA-N 1 0 387.933 1.951 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000634297945 653489769 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UVTWVBYIOIJWBQ-UHFFFAOYSA-N 1 0 385.555 1.540 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cc(F)c(Br)cc1F ZINC000637422153 653528037 /nfs/dbraw/zinc/52/80/37/653528037.db2.gz FYVBBGUOSYKCMD-AWEZNQCLSA-N 1 0 380.233 1.839 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)N1CCC(CO)(CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000637473299 653529463 /nfs/dbraw/zinc/52/94/63/653529463.db2.gz KMDREVFYNGNONZ-HNNXBMFYSA-N 1 0 390.311 1.982 20 0 GDADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000637938554 653532488 /nfs/dbraw/zinc/53/24/88/653532488.db2.gz SMRSRXCDNQDGOU-CZUORRHYSA-N 1 0 384.274 1.661 20 0 GDADRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000637966593 653533359 /nfs/dbraw/zinc/53/33/59/653533359.db2.gz UHZOKBYOLOMCJQ-DYVFJYSZSA-N 1 0 398.301 1.969 20 0 GDADRO [NH3+]C[C@]1(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CCCOC1 ZINC000638109156 653536803 /nfs/dbraw/zinc/53/68/03/653536803.db2.gz CSSWPTCTJQRAQR-SUMWQHHRSA-N 1 0 382.302 1.900 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1cc(Br)ccc1Br 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390.228 1.679 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000644458526 653598690 /nfs/dbraw/zinc/59/86/90/653598690.db2.gz UDFJQCVOJNJVMV-UHFFFAOYSA-N 1 0 383.290 1.957 20 0 GDADRO O=C1NCCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000644555714 653599231 /nfs/dbraw/zinc/59/92/31/653599231.db2.gz OCCGMCZTDRBLFN-GXFFZTMASA-N 1 0 375.238 1.444 20 0 GDADRO CN1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644563547 653599311 /nfs/dbraw/zinc/59/93/11/653599311.db2.gz WCFKTKXOHIYLEM-CYBMUJFWSA-N 1 0 390.311 1.487 20 0 GDADRO CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000644595304 653599543 /nfs/dbraw/zinc/59/95/43/653599543.db2.gz NNFVBHORAKABIZ-UONOGXRCSA-N 1 0 375.238 1.538 20 0 GDADRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]C2CC(NS(C)(=O)=O)C2)cc1 ZINC000644641459 653599886 /nfs/dbraw/zinc/59/98/86/653599886.db2.gz SPLMJEVWFROLPZ-UHFFFAOYSA-N 1 0 388.555 1.428 20 0 GDADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000644646110 653599933 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Cn1cnnc1Sc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1Cl ZINC000653082525 653905646 /nfs/dbraw/zinc/90/56/46/653905646.db2.gz XPVISGXSPMJQNF-QFYYESIMSA-N 1 0 379.873 1.794 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116471 653906626 /nfs/dbraw/zinc/90/66/26/653906626.db2.gz IFJLWJGXNIBLAR-QEORTHHSSA-N 1 0 380.286 1.380 20 0 GDADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653122525 653906770 /nfs/dbraw/zinc/90/67/70/653906770.db2.gz YIHYSBMZMAEENK-PBHICJAKSA-N 1 0 397.361 1.933 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)nn1 ZINC000653198712 653908248 /nfs/dbraw/zinc/90/82/48/653908248.db2.gz KEUIALSFEFYGJH-UHFFFAOYSA-N 1 0 383.283 1.896 20 0 GDADRO CCO[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000653247565 653909246 /nfs/dbraw/zinc/90/92/46/653909246.db2.gz IHZZPUJPSQJBTH-TZMCWYRMSA-N 1 0 384.274 1.001 20 0 GDADRO CN(C)c1cc(NC(=O)NC2CC[NH+](CCO)CC2)ncc1Br ZINC000653653611 653919741 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653993863 /nfs/dbraw/zinc/99/38/63/653993863.db2.gz QXTAKQMUHFUABT-SNVBAGLBSA-N 1 0 397.195 1.368 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@H](CO)Cc1cccc(Br)c1)C(F)(F)F ZINC000655927948 653994804 /nfs/dbraw/zinc/99/48/04/653994804.db2.gz JVDRQWNKFRHWFM-ZYHUDNBSSA-N 1 0 398.223 1.789 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C(F)(F)F ZINC000655959562 653996772 /nfs/dbraw/zinc/99/67/72/653996772.db2.gz WLYRLZGAOGIYHC-ZETCQYMHSA-N 1 0 390.106 1.672 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)C(F)(F)F ZINC000655960252 653996806 /nfs/dbraw/zinc/99/68/06/653996806.db2.gz YDFZTGZTUFVMJT-QMMMGPOBSA-N 1 0 375.681 1.886 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000656023035 653999929 /nfs/dbraw/zinc/99/99/29/653999929.db2.gz RYJBGXOEQRCIKN-SECBINFHSA-N 1 0 393.702 1.759 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CCO1 ZINC000656029684 654000515 /nfs/dbraw/zinc/00/05/15/654000515.db2.gz FKKPSLQFUTZJKI-IAQYHMDHSA-N 1 0 388.295 1.617 20 0 GDADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCn3cc(Br)ccc3=O)C2)C1 ZINC000656092058 654002095 /nfs/dbraw/zinc/00/20/95/654002095.db2.gz JRVACCLRJDJWSE-QGZVFWFLSA-N 1 0 397.317 1.738 20 0 GDADRO CO[C@@H](CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCOC1 ZINC000656876016 654061744 /nfs/dbraw/zinc/06/17/44/654061744.db2.gz XNWOCYGCBVMAGR-HOTGVXAUSA-N 1 0 392.587 1.319 20 0 GDADRO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000656947249 654074887 /nfs/dbraw/zinc/07/48/87/654074887.db2.gz GDFOCKUWTQXJFS-KFWWJZLASA-N 1 0 385.496 1.863 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000656960282 654078515 /nfs/dbraw/zinc/07/85/15/654078515.db2.gz ITDOPVPDICBWKD-LBPRGKRZSA-N 1 0 383.695 1.447 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000657020084 654099621 /nfs/dbraw/zinc/09/96/21/654099621.db2.gz OPGNOOICZOVENY-NSHDSACASA-N 1 0 377.869 1.361 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CSCc3ccc(Br)cc32)c(=O)n(C)c1=O 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CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000658389417 654188895 /nfs/dbraw/zinc/18/88/95/654188895.db2.gz HIGUDLZNHUSVGA-UHFFFAOYSA-N 1 0 380.919 1.434 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)[C@@H]1CCC[NH3+] ZINC000658398148 654189786 /nfs/dbraw/zinc/18/97/86/654189786.db2.gz ODYJSUAZTJBJRP-RHSMWYFYSA-N 1 0 388.555 1.759 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000658398444 654189859 /nfs/dbraw/zinc/18/98/59/654189859.db2.gz VDRPAPGFSZBLKC-UHFFFAOYSA-N 1 0 375.288 1.878 20 0 GDADRO O=C(Nc1cccc(Br)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658807489 654206465 /nfs/dbraw/zinc/20/64/65/654206465.db2.gz OPPLXWANJPBHFZ-OAHLLOKOSA-N 1 0 396.285 1.757 20 0 GDADRO O=C(c1cc(Br)ccc1-n1cnnn1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000658932574 654213115 /nfs/dbraw/zinc/21/31/15/654213115.db2.gz XWLGWRFTAKZLIK-WDEREUQCSA-N 1 0 377.246 1.106 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)C(F)(F)F ZINC000659326639 654222716 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[NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCc3cccc(Br)c3C2)n1 ZINC000659631845 654230266 /nfs/dbraw/zinc/23/02/66/654230266.db2.gz IJHAVDIJMPJDKA-UHFFFAOYSA-N 1 0 392.257 1.671 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000659639363 654230964 /nfs/dbraw/zinc/23/09/64/654230964.db2.gz ZGQSCACYZYOIQO-NSHDSACASA-N 1 0 392.884 1.103 20 0 GDADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CCCC(=O)NCC(C)C)CC1 ZINC000660557178 654254435 /nfs/dbraw/zinc/25/44/35/654254435.db2.gz KUHVRULQQSEQQD-INIZCTEOSA-N 1 0 375.579 1.921 20 0 GDADRO O[C@H](CN1CCOCC1)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661576778 654276532 /nfs/dbraw/zinc/27/65/32/654276532.db2.gz OVYDDGPHBSHNPI-KRWDZBQOSA-N 1 0 384.318 1.264 20 0 GDADRO O=c1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)nc2ccc(Br)cn12 ZINC000661599574 654277967 /nfs/dbraw/zinc/27/79/67/654277967.db2.gz VDVNIOYLLVGTRY-FZMZJTMJSA-N 1 0 391.269 1.558 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ncc(Br)cc2Cl)C1 ZINC000662244452 654290564 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[NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000662809803 654303057 /nfs/dbraw/zinc/30/30/57/654303057.db2.gz LHAFXFTUCYQACY-NEPJUHHUSA-N 1 0 381.230 1.479 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)nn1C ZINC000662838108 654305025 /nfs/dbraw/zinc/30/50/25/654305025.db2.gz CSWNZYFQGPWHAP-UHFFFAOYSA-N 1 0 385.877 1.100 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)N[C@]3(C)CC[NH2+]C3)CC2=O)ccc1Br ZINC000663007859 654317994 /nfs/dbraw/zinc/31/79/94/654317994.db2.gz GTLOQLWQYVNATP-YVEFUNNKSA-N 1 0 380.286 1.979 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)N[C@]3(C)CC[NH2+]C3)CC2=O)ccc1Br ZINC000663007857 654318078 /nfs/dbraw/zinc/31/80/78/654318078.db2.gz GTLOQLWQYVNATP-SJKOYZFVSA-N 1 0 380.286 1.979 20 0 GDADRO C[C@@]1(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC[NH2+]C1 ZINC000663012269 654318732 /nfs/dbraw/zinc/31/87/32/654318732.db2.gz VFPCXIYMAKIPEP-MRXNPFEDSA-N 1 0 382.258 1.433 20 0 GDADRO COc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1Br ZINC000663312365 654332959 /nfs/dbraw/zinc/33/29/59/654332959.db2.gz XBELXBBIKDONHE-SNVBAGLBSA-N 1 0 391.209 1.968 20 0 GDADRO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(c2cc(Br)cnn2)C1 ZINC000663829326 654355617 /nfs/dbraw/zinc/35/56/17/654355617.db2.gz IAXPIBYKDYMVIL-LLVKDONJSA-N 1 0 380.250 1.028 20 0 GDADRO O=C1CC[C@H]([NH+]2CCN(c3nnc4ccc(Br)cn43)CC2)CCN1 ZINC000663983500 654363712 /nfs/dbraw/zinc/36/37/12/654363712.db2.gz GOTWGWLMZUNYQC-ZDUSSCGKSA-N 1 0 393.289 1.283 20 0 GDADRO Nc1nc(NCCNC(=O)c2ccc(Br)cn2)c2c([nH+]1)CCCC2 ZINC000664177219 654368110 /nfs/dbraw/zinc/36/81/10/654368110.db2.gz BPWNUMQIYAUBBL-UHFFFAOYSA-N 1 0 391.273 1.937 20 0 GDADRO CCC[N@H+](C)CC(C)(C)NC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000664493817 654381726 /nfs/dbraw/zinc/38/17/26/654381726.db2.gz FZHMMVLWIHUTER-UHFFFAOYSA-N 1 0 390.575 1.788 20 0 GDADRO CCN(C(=O)NCCN(C)S(=O)(=O)c1cccs1)[C@H]1CC[N@H+](CC)C1 ZINC000664493730 654381836 /nfs/dbraw/zinc/38/18/36/654381836.db2.gz FANAKTUTWVMLGO-AWEZNQCLSA-N 1 0 388.559 1.494 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CCO1 ZINC000664729847 654390015 /nfs/dbraw/zinc/39/00/15/654390015.db2.gz ISUPZHNXFBYPQL-CYBMUJFWSA-N 1 0 389.543 1.404 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000664730981 654390331 /nfs/dbraw/zinc/39/03/31/654390331.db2.gz RTYIUYFYBKRWLF-ZDUSSCGKSA-N 1 0 390.575 1.223 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664730106 654390457 /nfs/dbraw/zinc/39/04/57/654390457.db2.gz OYBFTMIELNEQPA-SWHYSGLUSA-N 1 0 386.290 1.835 20 0 GDADRO C[C@H]1CC[N@H+](CCNCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000666283250 654422414 /nfs/dbraw/zinc/42/24/14/654422414.db2.gz YURRQSYFRKEGES-NSHDSACASA-N 1 0 376.320 1.528 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)C1 ZINC000666385470 654427002 /nfs/dbraw/zinc/42/70/02/654427002.db2.gz HYHZBCHYRGWKEM-HRCADAONSA-N 1 0 375.535 1.094 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCCN(S(C)(=O)=O)CC2)C1 ZINC000731480991 654435273 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C[NH+](C)[C@@]1(CNC(=O)Nc2cncc(OCC(F)(F)F)n2)CCSC1 ZINC000667727371 654461316 /nfs/dbraw/zinc/46/13/16/654461316.db2.gz WONAPHDFBTVZFZ-CYBMUJFWSA-N 1 0 379.408 1.977 20 0 GDADRO COC1CC[NH+](C2(CNS(=O)(=O)c3cnc(Cl)n3C)CCCC2)CC1 ZINC000769409897 654461496 /nfs/dbraw/zinc/46/14/96/654461496.db2.gz FAFGUTDERUYUQL-UHFFFAOYSA-N 1 0 390.937 1.775 20 0 GDADRO O=S(=O)(c1ccc2c(c1)OCCO2)N1CC([NH2+][C@H]2CCCSCC2)C1 ZINC000668010492 654469014 /nfs/dbraw/zinc/46/90/14/654469014.db2.gz YSCSJCSVYIJBEB-ZDUSSCGKSA-N 1 0 384.523 1.706 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1nccn2c(Br)cnc12 ZINC000769777922 654482130 /nfs/dbraw/zinc/48/21/30/654482130.db2.gz KCYABRDUCUCANJ-LBPRGKRZSA-N 1 0 396.289 1.675 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000668630223 654488280 /nfs/dbraw/zinc/48/82/80/654488280.db2.gz YTNQVHMELVFGSI-FZMZJTMJSA-N 1 0 399.289 1.454 20 0 GDADRO CCC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)S(N)(=O)=O ZINC000668848141 654492590 /nfs/dbraw/zinc/49/25/90/654492590.db2.gz OFOCXKNLMHJVRQ-AWEZNQCLSA-N 1 0 377.894 1.676 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(CO)CCCC1 ZINC000769936331 654493833 /nfs/dbraw/zinc/49/38/33/654493833.db2.gz URYYQGPPBHILLN-CYBMUJFWSA-N 1 0 375.922 1.847 20 0 GDADRO CCN(C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1)[C@@H]1CC[N@H+](CC)C1 ZINC000669248470 654500751 /nfs/dbraw/zinc/50/07/51/654500751.db2.gz JJFLMYLAPPXMEP-GXTWGEPZSA-N 1 0 397.317 1.964 20 0 GDADRO CCN(C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)[C@@H]1CC[N@H+](C)C1 ZINC000669287604 654502293 /nfs/dbraw/zinc/50/22/93/654502293.db2.gz UPGCTYCINSKPRY-VHSXEESVSA-N 1 0 378.420 1.892 20 0 GDADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000669405852 654504189 /nfs/dbraw/zinc/50/41/89/654504189.db2.gz XIJCMFWVAAAKJB-GFCCVEGCSA-N 1 0 381.832 1.410 20 0 GDADRO Cc1cc(Br)ccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000770247007 654504929 /nfs/dbraw/zinc/50/49/29/654504929.db2.gz TYAPGQOMEZOYPF-UONOGXRCSA-N 1 0 389.315 1.899 20 0 GDADRO O=C(NCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cccc(Br)c1 ZINC000669436814 654504980 /nfs/dbraw/zinc/50/49/80/654504980.db2.gz JBQOLKQKFXHKHX-ZFWWWQNUSA-N 1 0 395.301 1.572 20 0 GDADRO [NH3+]C/C=C/CNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000669537956 654505249 /nfs/dbraw/zinc/50/52/49/654505249.db2.gz OQFCPIJAPWGADI-OWOJBTEDSA-N 1 0 383.290 1.600 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669541261 654505368 /nfs/dbraw/zinc/50/53/68/654505368.db2.gz AFHSLFDACDOXKS-MNOVXSKESA-N 1 0 392.934 1.073 20 0 GDADRO [NH3+]C/C=C\CNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000669537957 654505387 /nfs/dbraw/zinc/50/53/87/654505387.db2.gz OQFCPIJAPWGADI-UPHRSURJSA-N 1 0 383.290 1.600 20 0 GDADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000770386206 654510434 /nfs/dbraw/zinc/51/04/34/654510434.db2.gz LOFYWWULULKFIU-OAHLLOKOSA-N 1 0 375.535 1.647 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)C1 ZINC000669932838 654515298 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GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671366670 654534359 /nfs/dbraw/zinc/53/43/59/654534359.db2.gz DFVMCOVILRXNOV-HNNXBMFYSA-N 1 0 398.276 1.805 20 0 GDADRO COCC[C@](C)(O)C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000734846948 654541774 /nfs/dbraw/zinc/54/17/74/654541774.db2.gz WFMMPFJKVAJALN-WFASDCNBSA-N 1 0 379.910 1.082 20 0 GDADRO CCC(=O)N1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)CC1 ZINC000671730197 654542863 /nfs/dbraw/zinc/54/28/63/654542863.db2.gz TWWXQVIDPBVKER-UHFFFAOYSA-N 1 0 387.933 1.917 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000671766070 654543290 /nfs/dbraw/zinc/54/32/90/654543290.db2.gz ULARZJXCKNCQQA-UHFFFAOYSA-N 1 0 381.274 1.937 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000671817308 654544507 /nfs/dbraw/zinc/54/45/07/654544507.db2.gz PQBRBYVAAZJLEP-CYBMUJFWSA-N 1 0 396.285 1.427 20 0 GDADRO CC[NH+](CC)CCOC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C ZINC000772162994 654556645 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C[NH+](C)CCCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000836855314 655157566 /nfs/dbraw/zinc/15/75/66/655157566.db2.gz KAXYOZSDPLUWCG-UHFFFAOYSA-N 1 0 379.885 1.977 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000810410899 655159566 /nfs/dbraw/zinc/15/95/66/655159566.db2.gz FXWHLFCFHHXFIJ-UHFFFAOYSA-N 1 0 395.261 1.488 20 0 GDADRO C[NH+](C)CCCNC(=S)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000795097499 655160597 /nfs/dbraw/zinc/16/05/97/655160597.db2.gz LHDLAHQXMUFELN-ZDUSSCGKSA-N 1 0 390.600 1.175 20 0 GDADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cnn(C)c1I ZINC000836950393 655160792 /nfs/dbraw/zinc/16/07/92/655160792.db2.gz XLSLVTZCPSILJU-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO COc1cc(/C=C\C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc(Br)c1O ZINC000762718014 655175260 /nfs/dbraw/zinc/17/52/60/655175260.db2.gz MQNQUKBVTLPPRO-MJSXRHKHSA-N 1 0 385.258 1.359 20 0 GDADRO CS[C@H]1CN(C(=O)CN2C(=S)N=NC2c2cccs2)C[C@@H]1[NH+](C)C ZINC000763236690 655189018 /nfs/dbraw/zinc/18/90/18/655189018.db2.gz 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CCNS(=O)(=O)CCNC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000838410380 655215597 /nfs/dbraw/zinc/21/55/97/655215597.db2.gz BTYKCLIRFWOBIR-HNNXBMFYSA-N 1 0 388.559 1.250 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=S)NCc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000764492568 655217344 /nfs/dbraw/zinc/21/73/44/655217344.db2.gz XQWIGXMYRJIQBN-GDBMZVCRSA-N 1 0 382.555 1.125 20 0 GDADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000796974166 655226696 /nfs/dbraw/zinc/22/66/96/655226696.db2.gz DMUPIACLQXGWGA-BFHYXJOUSA-N 1 0 376.519 1.472 20 0 GDADRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000797063220 655229032 /nfs/dbraw/zinc/22/90/32/655229032.db2.gz ARWGPDCGTNRMNP-HUBLWGQQSA-N 1 0 392.568 1.814 20 0 GDADRO O=CN1CCC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000839022451 655236735 /nfs/dbraw/zinc/23/67/35/655236735.db2.gz VAPYXVWGPOMRFL-CQSZACIVSA-N 1 0 375.238 1.492 20 0 GDADRO COC[C@H](C)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765328398 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GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cn2c(Br)cnc2s1 ZINC000815151371 655288885 /nfs/dbraw/zinc/28/88/85/655288885.db2.gz DUWRIVMQCDWWQJ-UWVGGRQHSA-N 1 0 385.287 1.751 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000799770300 655299502 /nfs/dbraw/zinc/29/95/02/655299502.db2.gz VVHAXGXXKYBNJG-AWEZNQCLSA-N 1 0 375.535 1.647 20 0 GDADRO CO[C@H](C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C1CC1 ZINC000815651473 655301246 /nfs/dbraw/zinc/30/12/46/655301246.db2.gz UUMRKRUHZLEAEW-BLLLJJGKSA-N 1 0 390.527 1.488 20 0 GDADRO O=C1NCCN(C[C@@H](O)C[NH+]2CCCC2)[C@H]1c1ccccc1Br ZINC000767740523 655303151 /nfs/dbraw/zinc/30/31/51/655303151.db2.gz GJRCTCBUDWRFIK-BBRMVZONSA-N 1 0 382.302 1.379 20 0 GDADRO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000840908495 655303490 /nfs/dbraw/zinc/30/34/90/655303490.db2.gz DBULDGYZGXCXCM-LBPRGKRZSA-N 1 0 395.934 1.219 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767910656 655309212 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[NH3+]C1(CNC(=O)C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)CCC1 ZINC000841209530 655314176 /nfs/dbraw/zinc/31/41/76/655314176.db2.gz RVAQJZFMKJONSW-UHFFFAOYSA-N 1 0 395.179 1.799 20 0 GDADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000841248552 655317296 /nfs/dbraw/zinc/31/72/96/655317296.db2.gz AUUKYTSMJBWAEH-KCJUWKMLSA-N 1 0 387.665 1.646 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000841250083 655317327 /nfs/dbraw/zinc/31/73/27/655317327.db2.gz GKHAJQFPDATURS-TXEJJXNPSA-N 1 0 381.274 1.549 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cnc1Br ZINC000841260219 655318090 /nfs/dbraw/zinc/31/80/90/655318090.db2.gz PCMFGXQNWHJUKY-QWHCGFSZSA-N 1 0 395.301 1.939 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cnc(Cl)c1Br ZINC000841262625 655318239 /nfs/dbraw/zinc/31/82/39/655318239.db2.gz XBBIZKPNGQVISQ-RKDXNWHRSA-N 1 0 389.681 1.988 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841274288 655318547 /nfs/dbraw/zinc/31/85/47/655318547.db2.gz QKIFHWZKYZVQEL-MRVPVSSYSA-N 1 0 379.816 1.698 20 0 GDADRO C[S@](=O)CCC[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816552451 655328948 /nfs/dbraw/zinc/32/89/48/655328948.db2.gz MXYOBSRNDWDYPU-PWECECGKSA-N 1 0 375.535 1.108 20 0 GDADRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c(Br)n1 ZINC000816608780 655330009 /nfs/dbraw/zinc/33/00/09/655330009.db2.gz JLDRCHFEKOETFL-CQSZACIVSA-N 1 0 395.301 1.577 20 0 GDADRO C[C@H](CNC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl)C[NH+](C)C ZINC000816832376 655336727 /nfs/dbraw/zinc/33/67/27/655336727.db2.gz YVZZTBKHGYALRV-NEPJUHHUSA-N 1 0 376.910 1.106 20 0 GDADRO C[N@H+](CCCCNS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C1CC1 ZINC000841527172 655337797 /nfs/dbraw/zinc/33/77/97/655337797.db2.gz HOYIOPBZHPSCAE-UHFFFAOYSA-N 1 0 394.946 1.896 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000841795184 655353747 /nfs/dbraw/zinc/35/37/47/655353747.db2.gz NSGMFSIPGDWGEV-OAHLLOKOSA-N 1 0 399.308 1.820 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CCCC1 ZINC000841858785 655354182 /nfs/dbraw/zinc/35/41/82/655354182.db2.gz UOSSLTQPPLDVFH-LBPRGKRZSA-N 1 0 386.440 1.117 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCSCc1ccnc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000842021340 655355356 /nfs/dbraw/zinc/35/53/56/655355356.db2.gz RIUWEWVCDACKBE-OCCSQVGLSA-N 1 0 384.933 1.589 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)C1 ZINC000842021143 655355360 /nfs/dbraw/zinc/35/53/60/655355360.db2.gz PASDXYSZEZZPDZ-CQSZACIVSA-N 1 0 384.933 1.542 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cnc(Cl)c(C(F)(F)F)c3)[C@H]2C1 ZINC000842210514 655358874 /nfs/dbraw/zinc/35/88/74/655358874.db2.gz BXMGVGBJKIKHKX-KCJUWKMLSA-N 1 0 376.766 1.855 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(Br)cc2F)CC[NH2+]1 ZINC000842217194 655359482 /nfs/dbraw/zinc/35/94/82/655359482.db2.gz UNDUUPQCDQCHIH-GXFFZTMASA-N 1 0 386.265 1.504 20 0 GDADRO C[NH+](C)CCOCCN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O ZINC000842245232 655360180 /nfs/dbraw/zinc/36/01/80/655360180.db2.gz QLRGLTHHMJEVHK-HNNXBMFYSA-N 1 0 396.285 1.716 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000842251133 655360313 /nfs/dbraw/zinc/36/03/13/655360313.db2.gz NKOJHAMYELGRCY-GJZGRUSLSA-N 1 0 398.301 1.449 20 0 GDADRO O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000817839753 655360485 /nfs/dbraw/zinc/36/04/85/655360485.db2.gz QSFBYKLMFOWRTP-QLFBSQMISA-N 1 0 376.507 1.446 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2ccccc2Br)CC[C@@H]1[NH3+] ZINC000817994503 655363922 /nfs/dbraw/zinc/36/39/22/655363922.db2.gz DCTSLLINUXYSBT-BYCMXARLSA-N 1 0 398.301 1.137 20 0 GDADRO CN(C[C@H](O)c1ccccc1Br)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000817994364 655363936 /nfs/dbraw/zinc/36/39/36/655363936.db2.gz RARITUKBYPORLE-YOEHRIQHSA-N 1 0 398.301 1.138 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)c2ccccc2Br)CC[C@@H]1[NH3+] ZINC000817994506 655364050 /nfs/dbraw/zinc/36/40/50/655364050.db2.gz DCTSLLINUXYSBT-UGFHNGPFSA-N 1 0 398.301 1.137 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC[C@H]2C[NH2+]CCO2)ccc1Cl ZINC000818007500 655364278 /nfs/dbraw/zinc/36/42/78/655364278.db2.gz BMHFNQHYYRGWBP-GFCCVEGCSA-N 1 0 389.905 1.135 20 0 GDADRO C[C@H](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000818006883 655364376 /nfs/dbraw/zinc/36/43/76/655364376.db2.gz PJSYKKCVMAQDNG-PWSUYJOCSA-N 1 0 376.910 1.282 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000842476520 655366515 /nfs/dbraw/zinc/36/65/15/655366515.db2.gz QJWNGWOKZVFNKC-HFAKWTLXSA-N 1 0 375.441 1.598 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000842476309 655366545 /nfs/dbraw/zinc/36/65/45/655366545.db2.gz LNVREVWCUUDBRJ-JRPNMDOOSA-N 1 0 375.441 1.598 20 0 GDADRO C[C@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000842477583 655366663 /nfs/dbraw/zinc/36/66/63/655366663.db2.gz AVTOABXIAPPROE-RYUDHWBXSA-N 1 0 375.441 1.538 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000842481524 655367168 /nfs/dbraw/zinc/36/71/68/655367168.db2.gz KGIJLTGUVDKFIE-KWQFWETISA-N 1 0 377.260 1.346 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)ccc1Br ZINC000842483222 655367591 /nfs/dbraw/zinc/36/75/91/655367591.db2.gz HBDXPSUXOYSDKL-NSHDSACASA-N 1 0 385.230 1.913 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000842483608 655367675 /nfs/dbraw/zinc/36/76/75/655367675.db2.gz NFBKNNDURFVEAF-ZDUSSCGKSA-N 1 0 380.919 1.410 20 0 GDADRO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000818134952 655368139 /nfs/dbraw/zinc/36/81/39/655368139.db2.gz KLNWGIMRBRZRMC-IINYFYTJSA-N 1 0 384.267 1.973 20 0 GDADRO C[NH2+]C[C@@H](C)c1noc(CSCCOc2ccc(S(N)(=O)=O)cc2)n1 ZINC000842584093 655369189 /nfs/dbraw/zinc/36/91/89/655369189.db2.gz ZUMMCVAJQQRLAE-LLVKDONJSA-N 1 0 386.499 1.352 20 0 GDADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842695928 655371556 /nfs/dbraw/zinc/37/15/56/655371556.db2.gz GFEBQWKWNRRPES-SNVBAGLBSA-N 1 0 386.417 1.340 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)C[C@H]2[NH3+])cn1 ZINC000818291697 655371577 /nfs/dbraw/zinc/37/15/77/655371577.db2.gz SPRQUAWXONPVKQ-DZGCQCFKSA-N 1 0 382.873 1.044 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000842696755 655371694 /nfs/dbraw/zinc/37/16/94/655371694.db2.gz BOQBXGSBRZHSTC-RYUDHWBXSA-N 1 0 375.516 1.313 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000842699870 655371974 /nfs/dbraw/zinc/37/19/74/655371974.db2.gz REZFNPHMZNKCMZ-WDEREUQCSA-N 1 0 379.404 1.854 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000818331276 655372459 /nfs/dbraw/zinc/37/24/59/655372459.db2.gz FIYLRMVKBIBFKD-CYBMUJFWSA-N 1 0 375.922 1.576 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000842725656 655373864 /nfs/dbraw/zinc/37/38/64/655373864.db2.gz FZYFJALIPRJHIR-ZWNOBZJWSA-N 1 0 379.404 1.983 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842737176 655374486 /nfs/dbraw/zinc/37/44/86/655374486.db2.gz WGSITPZJVSOYEF-JTQLQIEISA-N 1 0 386.417 1.353 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818431171 655374599 /nfs/dbraw/zinc/37/45/99/655374599.db2.gz YRJWVCBMLZRYCU-NSHDSACASA-N 1 0 387.889 1.674 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)/C=C\c2ccc(Br)cc2)CCO1 ZINC000842744560 655374822 /nfs/dbraw/zinc/37/48/22/655374822.db2.gz TYJLHPAGJATENL-XGVMJUDDSA-N 1 0 375.288 1.798 20 0 GDADRO O=C(NC[C@@H]1CCCN(S(=O)(=O)c2cccnc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000842748330 655375057 /nfs/dbraw/zinc/37/50/57/655375057.db2.gz BFKHVOLJSXSJMP-STQMWFEESA-N 1 0 386.905 1.004 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1)C(F)F ZINC000842762357 655375598 /nfs/dbraw/zinc/37/55/98/655375598.db2.gz DSFREIAUZOAUFT-AWEZNQCLSA-N 1 0 380.438 1.057 20 0 GDADRO COC[C@]1(CNC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CCC[NH2+]1 ZINC000818589742 655376799 /nfs/dbraw/zinc/37/67/99/655376799.db2.gz JBIURGUATQORCW-MRXNPFEDSA-N 1 0 376.425 1.110 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)c(Br)cc1F ZINC000842788699 655376993 /nfs/dbraw/zinc/37/69/93/655376993.db2.gz IAKMFJZWIKFLSL-NSHDSACASA-N 1 0 395.250 1.390 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)s1 ZINC000842789926 655377108 /nfs/dbraw/zinc/37/71/08/655377108.db2.gz FCWRDPUQWIYAJS-MRVPVSSYSA-N 1 0 383.289 1.313 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N[C@H](C)CC[NH3+])c1 ZINC000842791144 655377267 /nfs/dbraw/zinc/37/72/67/655377267.db2.gz SUGPBGSKWFRDTJ-SNVBAGLBSA-N 1 0 393.303 1.950 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(Br)o1 ZINC000842790689 655377276 /nfs/dbraw/zinc/37/72/76/655377276.db2.gz LXWGYJVQULRPQI-HTQZYQBOSA-N 1 0 381.248 1.187 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000842791309 655377281 /nfs/dbraw/zinc/37/72/81/655377281.db2.gz VPQBQCNOXMZDFA-VHSXEESVSA-N 1 0 386.417 1.338 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000842795004 655377699 /nfs/dbraw/zinc/37/76/99/655377699.db2.gz AOXWVHODKWZKSA-SNVBAGLBSA-N 1 0 395.312 1.397 20 0 GDADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cc(Br)cc3c1OCC3)C2 ZINC000842796689 655377784 /nfs/dbraw/zinc/37/77/84/655377784.db2.gz DBUHLUSMQQMXEL-UHFFFAOYSA-N 1 0 387.299 1.932 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000842799704 655378001 /nfs/dbraw/zinc/37/80/01/655378001.db2.gz ZWUYEIJATIUGIZ-CKDIWJPDSA-N 1 0 385.917 1.960 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000842812702 655378787 /nfs/dbraw/zinc/37/87/87/655378787.db2.gz JDBURTVMNKZQTK-KOLCDFICSA-N 1 0 391.287 1.655 20 0 GDADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 ZINC000842812509 655378801 /nfs/dbraw/zinc/37/88/01/655378801.db2.gz CFMKLDUMAIIFPP-SECBINFHSA-N 1 0 379.276 1.512 20 0 GDADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[NH2+]1 ZINC000842814555 655378938 /nfs/dbraw/zinc/37/89/38/655378938.db2.gz IZJUKAKJFLUGBQ-NXEZZACHSA-N 1 0 386.417 1.399 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)s1 ZINC000842827782 655379996 /nfs/dbraw/zinc/37/99/96/655379996.db2.gz PEEXKOITDVTIKF-OAHLLOKOSA-N 1 0 375.516 1.315 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000842870302 655381653 /nfs/dbraw/zinc/38/16/53/655381653.db2.gz YLOHOMUKXYMIMS-LLVKDONJSA-N 1 0 381.267 1.955 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000842869647 655381660 /nfs/dbraw/zinc/38/16/60/655381660.db2.gz LAZGQAKQWOQVDD-GFCCVEGCSA-N 1 0 387.889 1.532 20 0 GDADRO C[C@@](O)(C[NH2+]CCC(=O)N1CCOCC1)c1ccc(Br)cc1F ZINC000818946628 655381976 /nfs/dbraw/zinc/38/19/76/655381976.db2.gz CWHZRUZQOMYVQI-MRXNPFEDSA-N 1 0 389.265 1.634 20 0 GDADRO O=c1n(CCC[NH2+]C[C@H](O)c2cccc(Br)c2)nc2n1CCCC2 ZINC000818963864 655382321 /nfs/dbraw/zinc/38/23/21/655382321.db2.gz CUVWEISQYVLZKM-HNNXBMFYSA-N 1 0 395.301 1.857 20 0 GDADRO CS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000818991096 655382895 /nfs/dbraw/zinc/38/28/95/655382895.db2.gz VXSNYKHNNSDIJO-OAHLLOKOSA-N 1 0 391.331 1.744 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000818997723 655382912 /nfs/dbraw/zinc/38/29/12/655382912.db2.gz JLCBWWZURFEPSK-CQSZACIVSA-N 1 0 377.304 1.498 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c(Br)o1 ZINC000842896585 655383487 /nfs/dbraw/zinc/38/34/87/655383487.db2.gz XRLQQLIZJYORBE-SECBINFHSA-N 1 0 395.275 1.639 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000842895188 655383509 /nfs/dbraw/zinc/38/35/09/655383509.db2.gz KVBKZEVZGCHOMT-JTQLQIEISA-N 1 0 380.297 1.764 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]CCS(C)(=O)=O ZINC000819052083 655384106 /nfs/dbraw/zinc/38/41/06/655384106.db2.gz ZHHKOBIULNDJFY-UHFFFAOYSA-N 1 0 377.304 1.432 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000819056137 655384308 /nfs/dbraw/zinc/38/43/08/655384308.db2.gz ZWVFBPJWAPBDJS-CABCVRRESA-N 1 0 376.519 1.161 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1=O ZINC000819129087 655386578 /nfs/dbraw/zinc/38/65/78/655386578.db2.gz ACRJFPVNKIWFLC-MRRJBJDNSA-N 1 0 396.285 1.793 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)C(=O)N1c1cnn(C)c1 ZINC000819121859 655386585 /nfs/dbraw/zinc/38/65/85/655386585.db2.gz JZWSFYRBXMZERM-HFBAOOFYSA-N 1 0 393.285 2.000 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000819122018 655386601 /nfs/dbraw/zinc/38/66/01/655386601.db2.gz LGAIMDABKXDWDJ-XFBWCDHKSA-N 1 0 393.285 2.000 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2Br)C(=O)N1c1cnn(C)c1 ZINC000819121863 655386627 /nfs/dbraw/zinc/38/66/27/655386627.db2.gz JZWSFYRBXMZERM-RLCCDNCMSA-N 1 0 393.285 2.000 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C[C@@H](O)c2ccc(Br)cc2)C1=O ZINC000819129753 655386721 /nfs/dbraw/zinc/38/67/21/655386721.db2.gz OBKBSCRSPRZZEC-QEORTHHSSA-N 1 0 396.285 1.793 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C[C@H](O)c2ccccc2Br)C1=O ZINC000819129314 655386730 /nfs/dbraw/zinc/38/67/30/655386730.db2.gz GERAYPPHGYNALT-YLVFBTJISA-N 1 0 396.285 1.793 20 0 GDADRO COCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)CC2 ZINC000819154210 655387018 /nfs/dbraw/zinc/38/70/18/655387018.db2.gz PJPHJMKCDZSFDA-UONOGXRCSA-N 1 0 381.274 1.825 20 0 GDADRO C[C@@](O)(C[NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(Br)cc1F ZINC000843060729 655387682 /nfs/dbraw/zinc/38/76/82/655387682.db2.gz NDYGHKIGWZDGAJ-CZUORRHYSA-N 1 0 391.281 1.078 20 0 GDADRO CCS(=O)(=O)CC[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000819189529 655387935 /nfs/dbraw/zinc/38/79/35/655387935.db2.gz UJVJJJLFWLQGIH-UHFFFAOYSA-N 1 0 392.518 1.393 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819187856 655387945 /nfs/dbraw/zinc/38/79/45/655387945.db2.gz UWCLMFPNCJASDQ-HZMBPMFUSA-N 1 0 395.294 1.493 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000819189112 655387952 /nfs/dbraw/zinc/38/79/52/655387952.db2.gz DQDMZMMKPLXHJK-KGLIPLIRSA-N 1 0 377.304 1.496 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1F)c1cccs1 ZINC000843096964 655388289 /nfs/dbraw/zinc/38/82/89/655388289.db2.gz HLYPDRGMDSTLRA-BXUZGUMPSA-N 1 0 377.434 1.484 20 0 GDADRO Cn1cc(C[C@H](CO)C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cn1 ZINC000843110812 655388611 /nfs/dbraw/zinc/38/86/11/655388611.db2.gz BIWXWJJEYQGBBA-BLLLJJGKSA-N 1 0 386.265 1.796 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1nc2ccccn2c1Br ZINC000843121686 655388906 /nfs/dbraw/zinc/38/89/06/655388906.db2.gz HDRNAPUCCBIKPB-ZDUSSCGKSA-N 1 0 394.317 1.916 20 0 GDADRO CN(Cc1nc(CC[NH3+])no1)S(=O)(=O)c1ccc(Br)cc1 ZINC000843131184 655389078 /nfs/dbraw/zinc/38/90/78/655389078.db2.gz NSRFHUNHRDOWEX-UHFFFAOYSA-N 1 0 375.248 1.154 20 0 GDADRO C[C@@](O)(C[NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(Br)cc1F ZINC000819276426 655389145 /nfs/dbraw/zinc/38/91/45/655389145.db2.gz LMRFVBWTKODUHM-CYBMUJFWSA-N 1 0 380.279 1.963 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000819290265 655389267 /nfs/dbraw/zinc/38/92/67/655389267.db2.gz XBVAKFNNZKBISW-CFVMTHIKSA-N 1 0 391.331 1.790 20 0 GDADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCn1cc(Br)cn1 ZINC000819308168 655389528 /nfs/dbraw/zinc/38/95/28/655389528.db2.gz NMIOWCRGMNQENY-CQSZACIVSA-N 1 0 377.283 1.511 20 0 GDADRO CC(=O)N[C@]1(c2nc([C@@H]3CCCN3C(=O)C(F)(F)F)cs2)CC[NH2+]C1 ZINC000843290654 655391061 /nfs/dbraw/zinc/39/10/61/655391061.db2.gz ZMFPLWLDNATBLJ-SMDDNHRTSA-N 1 0 376.404 1.694 20 0 GDADRO C[C@@H](CC(=O)N(C)C1CCC([NH3+])CC1)NS(=O)(=O)c1cccnc1Cl ZINC000843355188 655393459 /nfs/dbraw/zinc/39/34/59/655393459.db2.gz UYMREEVUFZLPMQ-HIFPTAJRSA-N 1 0 388.921 1.520 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000843378363 655393881 /nfs/dbraw/zinc/39/38/81/655393881.db2.gz RXOSTGKTZDAUPN-LBPRGKRZSA-N 1 0 375.441 1.682 20 0 GDADRO Cc1cc([C@H]([NH3+])CC(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc(Cl)n1 ZINC000843373242 655393926 /nfs/dbraw/zinc/39/39/26/655393926.db2.gz BUKVNIQTCLLFPM-CQSZACIVSA-N 1 0 382.873 1.861 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000843407736 655394488 /nfs/dbraw/zinc/39/44/88/655394488.db2.gz JKSNBDSWXCMTBA-ZBFHGGJFSA-N 1 0 398.301 1.449 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC[C@H]1[NH3+] ZINC000843471660 655396018 /nfs/dbraw/zinc/39/60/18/655396018.db2.gz YCDANYVFCRFKAM-HTQZYQBOSA-N 1 0 396.332 1.357 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1c(F)cccc1I ZINC000819837491 655396379 /nfs/dbraw/zinc/39/63/79/655396379.db2.gz MYSMBZLFZISXLM-SNVBAGLBSA-N 1 0 392.212 1.617 20 0 GDADRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)C(C)(Cl)Cl ZINC000819842744 655396403 /nfs/dbraw/zinc/39/64/03/655396403.db2.gz DGRKYGLRISBCHI-UHFFFAOYSA-N 1 0 386.279 1.867 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000843484567 655396633 /nfs/dbraw/zinc/39/66/33/655396633.db2.gz TWCZRTNHLSTODX-SNVBAGLBSA-N 1 0 378.292 1.167 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1ccc(N)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000843488279 655396673 /nfs/dbraw/zinc/39/66/73/655396673.db2.gz WCXKAKZLCULGDU-AWEZNQCLSA-N 1 0 387.933 1.893 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000843486665 655396768 /nfs/dbraw/zinc/39/67/68/655396768.db2.gz IMYFREUBXBONHU-BDAKNGLRSA-N 1 0 378.292 1.165 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000843485661 655396793 /nfs/dbraw/zinc/39/67/93/655396793.db2.gz USOLZWBYLMRGEI-PWSUYJOCSA-N 1 0 394.465 1.713 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000843509129 655397276 /nfs/dbraw/zinc/39/72/76/655397276.db2.gz WQSPBGWMPOPVGT-RYUDHWBXSA-N 1 0 388.921 1.378 20 0 GDADRO [NH3+]CCCCCCNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000843512035 655397471 /nfs/dbraw/zinc/39/74/71/655397471.db2.gz FEQCZFXUPWZAEV-UHFFFAOYSA-N 1 0 392.319 1.363 20 0 GDADRO Nc1cc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc(Br)n1 ZINC000820116763 655403397 /nfs/dbraw/zinc/40/33/97/655403397.db2.gz YIQUYLDDSSFXIK-UHFFFAOYSA-N 1 0 383.290 1.611 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000844035309 655405549 /nfs/dbraw/zinc/40/55/49/655405549.db2.gz NFCWKFJRRGUFOB-ABAIWWIYSA-N 1 0 388.295 1.995 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Cl)ncc1Br ZINC000844038126 655405744 /nfs/dbraw/zinc/40/57/44/655405744.db2.gz MMMIIACUDNHBCY-SECBINFHSA-N 1 0 389.681 1.690 20 0 GDADRO Cc1c(Br)cccc1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000844040549 655405827 /nfs/dbraw/zinc/40/58/27/655405827.db2.gz VKDYILADTQHTDL-CYBMUJFWSA-N 1 0 382.302 1.878 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CSc1nc2ccccc2s1 ZINC000844041381 655405870 /nfs/dbraw/zinc/40/58/70/655405870.db2.gz RIPGIPXWYOPESL-LBPRGKRZSA-N 1 0 378.523 1.967 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)CCO2 ZINC000844097728 655407003 /nfs/dbraw/zinc/40/70/03/655407003.db2.gz UNDFXHKVALQIFB-UHFFFAOYSA-N 1 0 386.901 1.680 20 0 GDADRO O=C(C[NH+]1CCCC1)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000820334357 655408336 /nfs/dbraw/zinc/40/83/36/655408336.db2.gz ARTVARJBBGJBRM-UHFFFAOYSA-N 1 0 385.555 1.677 20 0 GDADRO O=C(NCc1ccc(Br)cc1N1CCOCC1)[C@@]1(F)CC[NH2+]C1 ZINC000844202817 655408501 /nfs/dbraw/zinc/40/85/01/655408501.db2.gz IJPXHSGLAGZPJQ-MRXNPFEDSA-N 1 0 386.265 1.604 20 0 GDADRO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000820811346 655417730 /nfs/dbraw/zinc/41/77/30/655417730.db2.gz OXKLNDLFDONZAS-YVEFUNNKSA-N 1 0 382.507 1.565 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000820830885 655417791 /nfs/dbraw/zinc/41/77/91/655417791.db2.gz ZUHKAXCGZJYDMZ-RBSFLKMASA-N 1 0 375.535 1.788 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000820830827 655417827 /nfs/dbraw/zinc/41/78/27/655417827.db2.gz ZAALIOJYSWYTOJ-RBSFLKMASA-N 1 0 375.535 1.646 20 0 GDADRO CC[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000844924070 655421184 /nfs/dbraw/zinc/42/11/84/655421184.db2.gz WDGYODVNTGEPLC-RRFJBIMHSA-N 1 0 375.535 1.788 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc2c(Br)cnn2c1 ZINC000821053396 655421668 /nfs/dbraw/zinc/42/16/68/655421668.db2.gz YIYHGBRXSDRYPO-ZDUSSCGKSA-N 1 0 381.274 1.673 20 0 GDADRO C[C@@](O)(C(=O)NCC[NH+]1CCC(O)CC1)c1ccc(F)c(Br)c1 ZINC000821864252 655436259 /nfs/dbraw/zinc/43/62/59/655436259.db2.gz WHQPLWBRYZOCQT-INIZCTEOSA-N 1 0 389.265 1.369 20 0 GDADRO Cc1cc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cnc1Br ZINC000822493047 655446274 /nfs/dbraw/zinc/44/62/74/655446274.db2.gz OQFGEHKLXWDEAH-UHFFFAOYSA-N 1 0 386.294 1.636 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000846182194 655449438 /nfs/dbraw/zinc/44/94/38/655449438.db2.gz AEMQIUWJKWQWGO-ZYHUDNBSSA-N 1 0 382.454 1.367 20 0 GDADRO [NH3+]CCC1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000846233123 655450377 /nfs/dbraw/zinc/45/03/77/655450377.db2.gz AKNOUKVJXVBJAO-UHFFFAOYSA-N 1 0 382.454 1.432 20 0 GDADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000846324927 655452302 /nfs/dbraw/zinc/45/23/02/655452302.db2.gz NIOXJMXITCNUOZ-UHFFFAOYSA-N 1 0 389.681 1.942 20 0 GDADRO Ic1ccc(OCc2noc([C@H]3C[NH2+]CCO3)n2)cc1 ZINC000823167493 655457617 /nfs/dbraw/zinc/45/76/17/655457617.db2.gz HXYQTWUDBFJADP-LLVKDONJSA-N 1 0 387.177 1.914 20 0 GDADRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000823491816 655464022 /nfs/dbraw/zinc/46/40/22/655464022.db2.gz BBZKSYKHFRVYHJ-MJBXVCDLSA-N 1 0 395.253 1.443 20 0 GDADRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000823491814 655464061 /nfs/dbraw/zinc/46/40/61/655464061.db2.gz BBZKSYKHFRVYHJ-BFHYXJOUSA-N 1 0 395.253 1.443 20 0 GDADRO C[C@H]1C[C@@H](C[NH2+]CCCN(C)S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823649349 655466353 /nfs/dbraw/zinc/46/63/53/655466353.db2.gz LALKUQFQRJLSBF-GJZGRUSLSA-N 1 0 377.551 1.893 20 0 GDADRO C[C@@H]1C[C@@H](C[NH2+]CCN2CCCS2(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823825358 655468640 /nfs/dbraw/zinc/46/86/40/655468640.db2.gz LKZFJTSGJKCZPI-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000823866193 655469032 /nfs/dbraw/zinc/46/90/32/655469032.db2.gz WNIPQDZTWXFPJP-UHFFFAOYSA-N 1 0 398.305 1.209 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2nc(F)ccc2Br)CC1 ZINC000847424747 655469200 /nfs/dbraw/zinc/46/92/00/655469200.db2.gz PNTDKDMBZBOOFK-LBPRGKRZSA-N 1 0 399.264 1.538 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[S@](C)=O ZINC000823914230 655469409 /nfs/dbraw/zinc/46/94/09/655469409.db2.gz BHOLSWUVAIOIRE-UZJPJQLHSA-N 1 0 377.304 1.431 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(Br)nc3n2CCC3)C[C@H](C)O1 ZINC000824085631 655471465 /nfs/dbraw/zinc/47/14/65/655471465.db2.gz NFFURGOTTNNYMN-TXEJJXNPSA-N 1 0 385.306 1.821 20 0 GDADRO C[NH+]1CCC(N(CCO)C(=O)c2cnn3cccc(Br)c23)CC1 ZINC000824158152 655472103 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C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CC[C@@H]21 ZINC000827302675 655508824 /nfs/dbraw/zinc/50/88/24/655508824.db2.gz WWIDWPRKGUBCCZ-RNCFNFMXSA-N 1 0 375.853 1.293 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000827367384 655509753 /nfs/dbraw/zinc/50/97/53/655509753.db2.gz VBNJJGYPRQOSLJ-BBRMVZONSA-N 1 0 385.917 1.561 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000827367272 655509806 /nfs/dbraw/zinc/50/98/06/655509806.db2.gz TXGQYFQQZWNRKG-BLLLJJGKSA-N 1 0 385.917 1.757 20 0 GDADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000827532892 655512736 /nfs/dbraw/zinc/51/27/36/655512736.db2.gz QSZPDNDPAYGEQU-LBPRGKRZSA-N 1 0 392.319 1.413 20 0 GDADRO CN1CCC[NH+]=C1NC[C@@H](O)COc1ccc(I)cc1 ZINC000849111779 655517394 /nfs/dbraw/zinc/51/73/94/655517394.db2.gz FLKKBEPIPGBKSX-GFCCVEGCSA-N 1 0 389.237 1.312 20 0 GDADRO COC[C@H](C)NC(=[NH2+])NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000849116148 655517492 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CC(=O)N1CCc2sc(S(=O)(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2C1 ZINC000849380439 655524450 /nfs/dbraw/zinc/52/44/50/655524450.db2.gz WXGRASVUHDKOCN-CABCVRRESA-N 1 0 385.555 1.804 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nn2cc(Br)cn2)[C@@H](c2cnn(C)c2)C1 ZINC000849568245 655542330 /nfs/dbraw/zinc/54/23/30/655542330.db2.gz NDZAZFNEPDBISI-HUUCEWRRSA-N 1 0 395.305 1.963 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Br)nn2C)cn1 ZINC000849595925 655542527 /nfs/dbraw/zinc/54/25/27/655542527.db2.gz MIJPJMNQHBMXSG-NEPJUHHUSA-N 1 0 381.278 1.590 20 0 GDADRO Cn1ncc(C(F)(F)F)c1C[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000850067034 655550138 /nfs/dbraw/zinc/55/01/38/655550138.db2.gz XTYMSACFWQBLHX-UHFFFAOYSA-N 1 0 376.404 1.648 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1Cl ZINC000850364811 655553266 /nfs/dbraw/zinc/55/32/66/655553266.db2.gz UMXDRGDXJIPSBQ-UHFFFAOYSA-N 1 0 394.824 1.054 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)n1 ZINC000850375972 655553698 /nfs/dbraw/zinc/55/36/98/655553698.db2.gz PVPVNFGKVMZLOM-VIFPVBQESA-N 1 0 382.877 1.346 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C1 ZINC000850520579 655557274 /nfs/dbraw/zinc/55/72/74/655557274.db2.gz WATQOCLHFMVANW-ZJUUUORDSA-N 1 0 381.363 1.920 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H](C)C[NH2+]C)c1 ZINC000850593527 655559921 /nfs/dbraw/zinc/55/99/21/655559921.db2.gz VBFPFPXPSCHYJD-VIFPVBQESA-N 1 0 379.276 1.512 20 0 GDADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000850728716 655566701 /nfs/dbraw/zinc/56/67/01/655566701.db2.gz DDJWNAZOHZTQFB-VXGBXAGGSA-N 1 0 393.868 1.666 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850821504 655568762 /nfs/dbraw/zinc/56/87/62/655568762.db2.gz LSKZEGSTSHTVGD-UHFFFAOYSA-N 1 0 384.893 1.640 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850824611 655569027 /nfs/dbraw/zinc/56/90/27/655569027.db2.gz WBWIXBYPNDATTL-DTWKUNHWSA-N 1 0 382.877 1.344 20 0 GDADRO Cc1cc([C@H]([NH3+])CC(=O)NCCS(=O)(=O)CC(F)(F)F)cc(Cl)n1 ZINC000851643366 655589582 /nfs/dbraw/zinc/58/95/82/655589582.db2.gz VIOCXQVLXVZBNE-SNVBAGLBSA-N 1 0 387.811 1.527 20 0 GDADRO [NH3+]C1(CNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCCC1 ZINC000851656001 655590093 /nfs/dbraw/zinc/59/00/93/655590093.db2.gz BGWYGNBQBXCUCK-UHFFFAOYSA-N 1 0 386.440 1.119 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000851672675 655590336 /nfs/dbraw/zinc/59/03/36/655590336.db2.gz PVNWTOFNHUCSLR-QWHCGFSZSA-N 1 0 385.452 1.385 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NCC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000851837861 655598725 /nfs/dbraw/zinc/59/87/25/655598725.db2.gz OFKYNUWKBKFNKR-UHFFFAOYSA-N 1 0 375.535 1.647 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000851993060 655605303 /nfs/dbraw/zinc/60/53/03/655605303.db2.gz KUCVAJNCSNKFCH-GJZGRUSLSA-N 1 0 377.422 1.649 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000852061269 655606980 /nfs/dbraw/zinc/60/69/80/655606980.db2.gz MCRMRLIABOPSQN-NWDGAFQWSA-N 1 0 390.339 1.961 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000852079537 655607251 /nfs/dbraw/zinc/60/72/51/655607251.db2.gz CLGAKFVSUDOKKC-ZDUSSCGKSA-N 1 0 387.468 1.917 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(CO)([NH2+]C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000852172894 655609465 /nfs/dbraw/zinc/60/94/65/655609465.db2.gz CPRVIMGVKVLNPU-CQSZACIVSA-N 1 0 376.519 1.163 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)CCSC1 ZINC000852182911 655609628 /nfs/dbraw/zinc/60/96/28/655609628.db2.gz YHUPHAHJAMBSFZ-BBRMVZONSA-N 1 0 377.432 1.874 20 0 GDADRO O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000852460187 655615533 /nfs/dbraw/zinc/61/55/33/655615533.db2.gz KZNRDQFSCXUTBO-RUZDIDTESA-N 1 0 385.452 1.051 20 0 GDADRO O=C(C=C1CC[NH2+]CC1)NCCCNC(=O)c1cccc(Br)c1 ZINC000852826510 655623728 /nfs/dbraw/zinc/62/37/28/655623728.db2.gz LIOUCRCDOPRDNI-UHFFFAOYSA-N 1 0 380.286 1.995 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)c1cnn(-c2ccccc2)c1I ZINC000852874644 655624909 /nfs/dbraw/zinc/62/49/09/655624909.db2.gz SRHZFBXINGGZLI-SNVBAGLBSA-N 1 0 384.221 1.802 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000852878863 655624938 /nfs/dbraw/zinc/62/49/38/655624938.db2.gz RQCAAXIYENPESS-VIFPVBQESA-N 1 0 398.227 1.057 20 0 GDADRO C[C@]12CCN(C(=O)[C@@H]3C[NH2+]CCO3)C[C@H]1C2(Br)Br ZINC000852901558 655626137 /nfs/dbraw/zinc/62/61/37/655626137.db2.gz KJDIIFBUIHWKOQ-NGZCFLSTSA-N 1 0 382.096 1.329 20 0 GDADRO COC(=O)[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000852907049 655627455 /nfs/dbraw/zinc/62/74/55/655627455.db2.gz BXPYSUYMCAITBB-IAQYHMDHSA-N 1 0 385.258 1.548 20 0 GDADRO C[C@@]1(NC(=O)c2cnn(-c3ccccc3)c2I)CC[NH2+]C1 ZINC000852930285 655628634 /nfs/dbraw/zinc/62/86/34/655628634.db2.gz IEWUCMTZXVSMKV-OAHLLOKOSA-N 1 0 396.232 1.959 20 0 GDADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000853081855 655632281 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O=C(NCC[S@@](=O)CC(F)(F)F)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000855273634 655689261 /nfs/dbraw/zinc/68/92/61/655689261.db2.gz DFNXHCHOUKEMSO-DLUDVSRJSA-N 1 0 377.432 1.721 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)C1 ZINC000856442467 655713539 /nfs/dbraw/zinc/71/35/39/655713539.db2.gz MIMGKXLIVJEMDT-MRXNPFEDSA-N 1 0 375.441 1.302 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC[NH2+]1 ZINC000856484275 655713896 /nfs/dbraw/zinc/71/38/96/655713896.db2.gz BHTKLCOSROMJMN-INIZCTEOSA-N 1 0 385.917 1.950 20 0 GDADRO CC(C)[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC[NH2+]1 ZINC000856484987 655714066 /nfs/dbraw/zinc/71/40/66/655714066.db2.gz UDNZAHLLILFMDF-CYBMUJFWSA-N 1 0 390.303 1.167 20 0 GDADRO CNS(=O)(=O)CC[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000856722215 655715117 /nfs/dbraw/zinc/71/51/17/655715117.db2.gz QALFOLFNXXWYOV-HNNXBMFYSA-N 1 0 375.535 1.647 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856817251 655719639 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NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000857341850 655735576 /nfs/dbraw/zinc/73/55/76/655735576.db2.gz IYYNCWOVBZUSCM-CYBMUJFWSA-N 1 0 385.917 1.839 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CCO1 ZINC000857340371 655735583 /nfs/dbraw/zinc/73/55/83/655735583.db2.gz SHCVBURIZDZYHG-GFCCVEGCSA-N 1 0 389.905 1.170 20 0 GDADRO Cn1cc(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)c(Br)n1 ZINC000858105413 655744488 /nfs/dbraw/zinc/74/44/88/655744488.db2.gz GPVQKXHXYVKOEL-LBPRGKRZSA-N 1 0 396.211 1.846 20 0 GDADRO Cn1nc(Cl)c(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c1Cl ZINC000858540643 655749157 /nfs/dbraw/zinc/74/91/57/655749157.db2.gz KLTSHLFRRFEUIE-UHFFFAOYSA-N 1 0 383.283 1.804 20 0 GDADRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)C1 ZINC000858585283 655749613 /nfs/dbraw/zinc/74/96/13/655749613.db2.gz DIWLECLTJWPMJD-WHOFXGATSA-N 1 0 376.500 1.240 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858626631 655751171 /nfs/dbraw/zinc/75/11/71/655751171.db2.gz JMBRAAFXXCVDFW-UHFFFAOYSA-N 1 0 383.392 1.044 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N(C)C[C@H](C)[NH3+])c1 ZINC000858639803 655751784 /nfs/dbraw/zinc/75/17/84/655751784.db2.gz IAUYXKCGROOODC-JTQLQIEISA-N 1 0 393.303 1.902 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)nc1F ZINC000858985629 655758222 /nfs/dbraw/zinc/75/82/22/655758222.db2.gz JWVFJLKPJCMUJI-SNVBAGLBSA-N 1 0 380.283 1.946 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(CCO)CC2)cc1Cl ZINC000859002448 655758833 /nfs/dbraw/zinc/75/88/33/655758833.db2.gz SMYWSDHSDBBDEA-UHFFFAOYSA-N 1 0 391.877 1.207 20 0 GDADRO C[C@H]1CN(C(=O)C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)CCO1 ZINC000859572627 655787376 /nfs/dbraw/zinc/78/73/76/655787376.db2.gz SDFQLTOBCTWWEJ-SCLBCKFNSA-N 1 0 397.313 1.506 20 0 GDADRO NC(=O)c1cn(C2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)nn1 ZINC000859591143 655787733 /nfs/dbraw/zinc/78/77/33/655787733.db2.gz FYBOFIWXMXTSEA-HNNXBMFYSA-N 1 0 394.273 1.510 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000859693584 655788836 /nfs/dbraw/zinc/78/88/36/655788836.db2.gz FHAYHSHXBXIHCJ-LLVKDONJSA-N 1 0 385.310 1.407 20 0 GDADRO CC(C)n1ncc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1Cl ZINC000859941831 655791964 /nfs/dbraw/zinc/79/19/64/655791964.db2.gz OSRPNVCWTZQYOP-ZDUSSCGKSA-N 1 0 390.937 1.698 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000861541288 655825387 /nfs/dbraw/zinc/82/53/87/655825387.db2.gz AHMLUXBHTJPHPV-ZCFIWIBFSA-N 1 0 397.163 1.314 20 0 GDADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2nccn3c(Br)cnc23)C1 ZINC000861348113 655819844 /nfs/dbraw/zinc/81/98/44/655819844.db2.gz BJERFGLDLLFYMA-BONVTDFDSA-N 1 0 383.246 1.758 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C[NH2+]1 ZINC000861524941 655824597 /nfs/dbraw/zinc/82/45/97/655824597.db2.gz JVEORIWKEQFQHQ-HTQZYQBOSA-N 1 0 375.654 1.693 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000861539300 655825254 /nfs/dbraw/zinc/82/52/54/655825254.db2.gz CUUBPDIBKBRGGL-JTQLQIEISA-N 1 0 380.246 1.379 20 0 GDADRO C[C@]1(CCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[C@]1(F)Cl ZINC000861648124 655827544 /nfs/dbraw/zinc/82/75/44/655827544.db2.gz NFJDZGHAYVZKED-JKSUJKDBSA-N 1 0 375.876 1.044 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000862333039 655844424 /nfs/dbraw/zinc/84/44/24/655844424.db2.gz MTYXQFVIRDJPIT-GFCCVEGCSA-N 1 0 383.461 1.112 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000862336349 655844683 /nfs/dbraw/zinc/84/46/83/655844683.db2.gz BYHRMOJZHFXBSP-NSHDSACASA-N 1 0 383.461 1.384 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862409667 655846074 /nfs/dbraw/zinc/84/60/74/655846074.db2.gz AJJDKRKXZNXZMY-IJLUTSLNSA-N 1 0 384.445 1.033 20 0 GDADRO CCC1([NH+]2CCOCC2)CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000863492714 655874366 /nfs/dbraw/zinc/87/43/66/655874366.db2.gz HCUVFKPRJSVCGV-OAHLLOKOSA-N 1 0 390.571 1.010 20 0 GDADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000863571296 655875940 /nfs/dbraw/zinc/87/59/40/655875940.db2.gz VCMUKNAHFNFNMX-AEFFLSMTSA-N 1 0 399.329 1.688 20 0 GDADRO O=C(/C=C\c1ccc(I)o1)NCC[N@H+]1CC[C@H](O)C1 ZINC000863830598 655882790 /nfs/dbraw/zinc/88/27/90/655882790.db2.gz VCKUXKNFHIGTAG-GQPNGRKGSA-N 1 0 376.194 1.080 20 0 GDADRO Cn1ncc(I)c1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000864050445 655887810 /nfs/dbraw/zinc/88/78/10/655887810.db2.gz HVXYZESKYFKBKA-UHFFFAOYSA-N 1 0 390.269 1.321 20 0 GDADRO O=C(Nc1ccc(Br)cc1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000864620410 655903406 /nfs/dbraw/zinc/90/34/06/655903406.db2.gz KURNAAJOHCQZJT-MCIONIFRSA-N 1 0 395.257 1.848 20 0 GDADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)CC(F)F ZINC000865434266 655919824 /nfs/dbraw/zinc/91/98/24/655919824.db2.gz CSHHOUYIIKTXMA-NEPJUHHUSA-N 1 0 385.477 1.549 20 0 GDADRO Cc1ccnc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1Br ZINC000865439495 655919845 /nfs/dbraw/zinc/91/98/45/655919845.db2.gz WEZPVRGBUPGSBR-UHFFFAOYSA-N 1 0 376.320 1.914 20 0 GDADRO COc1ncc(Br)cc1CNCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000865442674 655919895 /nfs/dbraw/zinc/91/98/95/655919895.db2.gz QMYFXNUNBSGGOQ-OAHLLOKOSA-N 1 0 399.333 1.885 20 0 GDADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C2OCCO2)s1)C1CC1 ZINC000865740771 655925572 /nfs/dbraw/zinc/92/55/72/655925572.db2.gz AIDVMTPTOZTCLY-ZIAGYGMSSA-N 1 0 387.527 1.671 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)N1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865855734 655928606 /nfs/dbraw/zinc/92/86/06/655928606.db2.gz IQBJRLHQLIPLCL-UHFFFAOYSA-N 1 0 386.421 1.195 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(I)nn2C)[C@H](C)C1 ZINC000866047694 655933822 /nfs/dbraw/zinc/93/38/22/655933822.db2.gz FVCQSRTVFJNUAI-GHMZBOCLSA-N 1 0 390.269 1.827 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(c3ncc(Br)cc3S(N)(=O)=O)CC[C@H]21 ZINC000866205980 655936104 /nfs/dbraw/zinc/93/61/04/655936104.db2.gz PSAIKOJXPJOFSU-GXSJLCMTSA-N 1 0 375.292 1.022 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CC2(F)F)CCSC1 ZINC000866333383 655937817 /nfs/dbraw/zinc/93/78/17/655937817.db2.gz JHSJGRCWGRFRLZ-CABCVRRESA-N 1 0 379.473 1.842 20 0 GDADRO Cn1nc(I)cc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000866333807 655937848 /nfs/dbraw/zinc/93/78/48/655937848.db2.gz NLMDHVCJQFRZPL-GFCCVEGCSA-N 1 0 394.282 1.192 20 0 GDADRO CC(C)n1ncc(C(=O)NCCN2CCC([NH+](C)C)CC2)c1Br ZINC000866353492 655938145 /nfs/dbraw/zinc/93/81/45/655938145.db2.gz TVOWYTJTSXCNDM-UHFFFAOYSA-N 1 0 386.338 1.982 20 0 GDADRO COc1cc(Br)c(C=O)cc1OS(=O)(=O)CCC[NH+](C)C ZINC000866393041 655939717 /nfs/dbraw/zinc/93/97/17/655939717.db2.gz LAQQRHOJBBXSBV-UHFFFAOYSA-N 1 0 380.260 1.931 20 0 GDADRO COc1cc(C=O)cc(Cl)c1OS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866400227 655940298 /nfs/dbraw/zinc/94/02/98/655940298.db2.gz ZQVNBOPJKJTONN-UHFFFAOYSA-N 1 0 390.889 1.507 20 0 GDADRO C[N@H+](CCCNS(=O)(=O)c1nc[nH]c1Br)Cc1ccccc1 ZINC000866427596 655942370 /nfs/dbraw/zinc/94/23/70/655942370.db2.gz REROLGYHHOBHOI-UHFFFAOYSA-N 1 0 387.303 1.973 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cn(C)nc2Br)C1 ZINC000866506134 655947780 /nfs/dbraw/zinc/94/77/80/655947780.db2.gz DSCVQZFGAXHBFH-RYUDHWBXSA-N 1 0 393.351 1.829 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(Br)n1 ZINC000866615660 655951766 /nfs/dbraw/zinc/95/17/66/655951766.db2.gz HROTXWZGVIFFJQ-NSHDSACASA-N 1 0 377.308 1.432 20 0 GDADRO C[C@]1(CS(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1(Cl)Cl ZINC000866711761 655956046 /nfs/dbraw/zinc/95/60/46/655956046.db2.gz NEEUUKSCNTWKLX-WCQYABFASA-N 1 0 386.345 1.077 20 0 GDADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866738551 655957670 /nfs/dbraw/zinc/95/76/70/655957670.db2.gz SIMYKGKLXYLIBI-LLVKDONJSA-N 1 0 379.404 1.950 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000866741665 655957987 /nfs/dbraw/zinc/95/79/87/655957987.db2.gz HCXQFAQDSFQRCP-ZDUSSCGKSA-N 1 0 376.320 1.162 20 0 GDADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)Cc1c(Br)cccc1OC ZINC000866743004 655958189 /nfs/dbraw/zinc/95/81/89/655958189.db2.gz WHZDLSRYUHOWQA-LLVKDONJSA-N 1 0 377.304 1.971 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1nc[nH]c1Br ZINC000866748469 655958713 /nfs/dbraw/zinc/95/87/13/655958713.db2.gz ROIRUSWWUFAIIT-UHFFFAOYSA-N 1 0 388.291 1.320 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1Br ZINC000866750640 655958832 /nfs/dbraw/zinc/95/88/32/655958832.db2.gz OVULMRANZHSAAS-GFCCVEGCSA-N 1 0 391.335 1.822 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000866752604 655959072 /nfs/dbraw/zinc/95/90/72/655959072.db2.gz SSQLYXNBETVDPQ-DLBZAZTESA-N 1 0 388.917 1.404 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000866755627 655959394 /nfs/dbraw/zinc/95/93/94/655959394.db2.gz RXOYJYIDSKABCR-HNNXBMFYSA-N 1 0 389.315 1.973 20 0 GDADRO C[C@]1(CS(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(Cl)Cl ZINC000866761879 655959886 /nfs/dbraw/zinc/95/98/86/655959886.db2.gz BYQKROFPLHCINV-NXEZZACHSA-N 1 0 398.278 1.326 20 0 GDADRO Cn1ncc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)c1Br ZINC000866765076 655960423 /nfs/dbraw/zinc/96/04/23/655960423.db2.gz QXVMMZDEOGKHNU-UHFFFAOYSA-N 1 0 379.324 1.712 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1nc[nH]c1Br)[N@H+](C)Cc1ccccc1 ZINC000866766052 655960515 /nfs/dbraw/zinc/96/05/15/655960515.db2.gz HSAQRKFNGQUYHY-NSHDSACASA-N 1 0 387.303 1.971 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)n1 ZINC000866766592 655960688 /nfs/dbraw/zinc/96/06/88/655960688.db2.gz WEDWOYNOAOAPOJ-NEPJUHHUSA-N 1 0 391.335 1.583 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)C(F)(F)F ZINC000866768354 655960766 /nfs/dbraw/zinc/96/07/66/655960766.db2.gz BUEGYISTPPIIIJ-CMPLNLGQSA-N 1 0 377.388 1.560 20 0 GDADRO C[C@H]1CCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000866771750 655961464 /nfs/dbraw/zinc/96/14/64/655961464.db2.gz WZZHABRJSVEFLW-QWRGUYRKSA-N 1 0 379.404 1.793 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000866771748 655961496 /nfs/dbraw/zinc/96/14/96/655961496.db2.gz WZZHABRJSVEFLW-GHMZBOCLSA-N 1 0 379.404 1.793 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])c(Br)n1 ZINC000866773491 655961704 /nfs/dbraw/zinc/96/17/04/655961704.db2.gz GPMOQJTVZWFJFZ-GFCCVEGCSA-N 1 0 385.287 1.429 20 0 GDADRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000866775199 655961957 /nfs/dbraw/zinc/96/19/57/655961957.db2.gz XBFNSPWHXPCWOR-UHFFFAOYSA-N 1 0 390.918 1.734 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1Br ZINC000866776203 655962030 /nfs/dbraw/zinc/96/20/30/655962030.db2.gz VSYZANCNQYRASW-GFCCVEGCSA-N 1 0 391.335 1.583 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000866776819 655962137 /nfs/dbraw/zinc/96/21/37/655962137.db2.gz LQMQPOLWJMBCGJ-MNOVXSKESA-N 1 0 388.253 1.581 20 0 GDADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866779274 655962632 /nfs/dbraw/zinc/96/26/32/655962632.db2.gz OHGQMIUPJVEVOA-SECBINFHSA-N 1 0 393.309 1.698 20 0 GDADRO O=S(=O)(c1c(Cl)nc2ccc(Br)cn21)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000866789128 655963735 /nfs/dbraw/zinc/96/37/35/655963735.db2.gz DUUXAYFRBNYUIX-IUCAKERBSA-N 1 0 391.678 1.485 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(F)cc1Br ZINC000866790593 655963846 /nfs/dbraw/zinc/96/38/46/655963846.db2.gz XFEJQVKQDOFUSZ-YUMQZZPRSA-N 1 0 393.234 1.110 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000866791352 655963960 /nfs/dbraw/zinc/96/39/60/655963960.db2.gz ZGGGGOKXPMCNBG-NXEZZACHSA-N 1 0 386.417 1.195 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000866815628 655966519 /nfs/dbraw/zinc/96/65/19/655966519.db2.gz RLJUKAVTGAIJBD-QGZVFWFLSA-N 1 0 387.571 1.812 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)C1 ZINC000866816085 655966611 /nfs/dbraw/zinc/96/66/11/655966611.db2.gz ISACRSFWAOXUEK-FZQKWOKYSA-N 1 0 389.836 1.035 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(Br)n1 ZINC000866822438 655967103 /nfs/dbraw/zinc/96/71/03/655967103.db2.gz DNANZMUSQACCSG-GFCCVEGCSA-N 1 0 391.335 1.822 20 0 GDADRO COCCC1(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC[NH2+]CC1 ZINC000866821841 655967149 /nfs/dbraw/zinc/96/71/49/655967149.db2.gz SVWHJOJDOGPMKO-UHFFFAOYSA-N 1 0 389.905 1.735 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866827782 655967716 /nfs/dbraw/zinc/96/77/16/655967716.db2.gz SMHYACKBCFZYLA-CHWSQXEVSA-N 1 0 375.288 1.973 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1cc2nc(Cl)ncc2s1 ZINC000866832294 655968037 /nfs/dbraw/zinc/96/80/37/655968037.db2.gz DLQKAXBCXPLXNV-JTQLQIEISA-N 1 0 390.918 1.470 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000866861546 655971432 /nfs/dbraw/zinc/97/14/32/655971432.db2.gz QZLZPHSHJWBCSJ-OAHLLOKOSA-N 1 0 393.912 1.069 20 0 GDADRO C[NH+](C)CCOC1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000866862025 655971557 /nfs/dbraw/zinc/97/15/57/655971557.db2.gz BNCHIBNLRAHRLN-DEOSSOPVSA-N 1 0 389.543 1.431 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cn1ccc(Br)cc1=O ZINC000866861950 655971592 /nfs/dbraw/zinc/97/15/92/655971592.db2.gz ABMOZPOKVZRRSN-KFWWJZLASA-N 1 0 398.301 1.321 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866902561 655975468 /nfs/dbraw/zinc/97/54/68/655975468.db2.gz DZBBVYHOKCHORB-LLVKDONJSA-N 1 0 377.308 1.525 20 0 GDADRO CCOC(=O)C1(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)CCC1 ZINC000866908982 655975994 /nfs/dbraw/zinc/97/59/94/655975994.db2.gz PYGYIVMRVBLWDB-UHFFFAOYSA-N 1 0 376.519 1.281 20 0 GDADRO CC[NH+](CC)CCN(C(=O)Cc1cccnc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000866987416 655984494 /nfs/dbraw/zinc/98/44/94/655984494.db2.gz HFFQHPSVFWJOSL-OAHLLOKOSA-N 1 0 387.933 1.635 20 0 GDADRO Cc1ccc(OS(=O)(=O)CCCN2CC[NH+](C)CC2)c(Br)n1 ZINC000867114495 655997020 /nfs/dbraw/zinc/99/70/20/655997020.db2.gz DTTXFXYJUKIGFA-UHFFFAOYSA-N 1 0 392.319 1.499 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc3onc(Cl)c3c2)CC1 ZINC000867146196 656002092 /nfs/dbraw/zinc/00/20/92/656002092.db2.gz CHZBHBRFJACSHX-LBPRGKRZSA-N 1 0 386.905 1.786 20 0 GDADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC ZINC000867169042 656006198 /nfs/dbraw/zinc/00/61/98/656006198.db2.gz NXWMQMVQHQCQSW-UHFFFAOYSA-N 1 0 376.450 1.583 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1C(F)(F)F ZINC000867224597 656016870 /nfs/dbraw/zinc/01/68/70/656016870.db2.gz BTOAWNXDVYAOAC-UHFFFAOYSA-N 1 0 380.436 1.935 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c(Br)o1 ZINC000867308076 656035392 /nfs/dbraw/zinc/03/53/92/656035392.db2.gz FXTKNGLNWIMCGS-RKDXNWHRSA-N 1 0 395.275 1.542 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)c1cc(I)nn1C ZINC000867389199 656051075 /nfs/dbraw/zinc/05/10/75/656051075.db2.gz ZGGBYDNYFIDGBA-UHFFFAOYSA-N 1 0 394.257 1.113 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000867411465 656056186 /nfs/dbraw/zinc/05/61/86/656056186.db2.gz OQZKRISXVXAEKB-KRWDZBQOSA-N 1 0 375.535 1.743 20 0 GDADRO Cn1cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Br)n1 ZINC000867487698 656069471 /nfs/dbraw/zinc/06/94/71/656069471.db2.gz QJYIWYSCQQSOBL-QWRGUYRKSA-N 1 0 377.308 1.478 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000867556730 656082926 /nfs/dbraw/zinc/08/29/26/656082926.db2.gz GLFVXTIISULAAO-AWEZNQCLSA-N 1 0 375.535 1.790 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCC3(CC2)CC[NH+](C)CC3)s1 ZINC000867621455 656094790 /nfs/dbraw/zinc/09/47/90/656094790.db2.gz SWXNNXIYXYUALF-UHFFFAOYSA-N 1 0 385.555 1.881 20 0 GDADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cnn(C)c2Br)CC1 ZINC000867632582 656096268 /nfs/dbraw/zinc/09/62/68/656096268.db2.gz VLZJRRKEXOZJJK-UHFFFAOYSA-N 1 0 379.324 1.678 20 0 GDADRO CS(=O)(=O)CCS(=O)(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000867653611 656099568 /nfs/dbraw/zinc/09/95/68/656099568.db2.gz JCAXMJRKFXLIBN-UHFFFAOYSA-N 1 0 388.555 1.253 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000867741761 656107644 /nfs/dbraw/zinc/10/76/44/656107644.db2.gz OZALCFKIHYOSPT-UHFFFAOYSA-N 1 0 399.333 1.689 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cnc1Cl ZINC000867817064 656120968 /nfs/dbraw/zinc/12/09/68/656120968.db2.gz RJYDORHWSDNEJE-UHFFFAOYSA-N 1 0 388.921 1.144 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000867817622 656121395 /nfs/dbraw/zinc/12/13/95/656121395.db2.gz LRUOUVHUGWJIFY-UHFFFAOYSA-N 1 0 377.432 1.504 20 0 GDADRO CCN(CCCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)S(C)(=O)=O ZINC000867955138 656135456 /nfs/dbraw/zinc/13/54/56/656135456.db2.gz WYMAHWWSTPEYFM-ZDUSSCGKSA-N 1 0 392.319 1.237 20 0 GDADRO CCN(CCCNC(=O)[C@H]([NH3+])c1cccc(Br)c1)S(C)(=O)=O ZINC000867955137 656135489 /nfs/dbraw/zinc/13/54/89/656135489.db2.gz WYMAHWWSTPEYFM-CYBMUJFWSA-N 1 0 392.319 1.237 20 0 GDADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(I)nn1C ZINC000867962904 656135759 /nfs/dbraw/zinc/13/57/59/656135759.db2.gz SAAMUSYPBVHZAO-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]([NH3+])c3cccc(Br)c3)C2)cn1 ZINC000867963901 656135985 /nfs/dbraw/zinc/13/59/85/656135985.db2.gz YAUKCXGFDDDMIC-ZBFHGGJFSA-N 1 0 392.301 1.968 20 0 GDADRO C[C@@]1([NH3+])CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000868073106 656139608 /nfs/dbraw/zinc/13/96/08/656139608.db2.gz JVIBUXUMELGONS-QGZVFWFLSA-N 1 0 394.269 1.775 20 0 GDADRO C[C@@]1([NH3+])CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000868080279 656139837 /nfs/dbraw/zinc/13/98/37/656139837.db2.gz SDBBUPBJPJLSRS-OAHLLOKOSA-N 1 0 389.315 1.953 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000868236093 656145477 /nfs/dbraw/zinc/14/54/77/656145477.db2.gz NVYXFUMWVISRPN-MXASKKJJSA-N 1 0 393.329 1.632 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868253543 656146691 /nfs/dbraw/zinc/14/66/91/656146691.db2.gz PIZLWONQMZEAGR-UHFFFAOYSA-N 1 0 379.052 1.567 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2cccc(F)c2I)C1 ZINC000868304539 656149984 /nfs/dbraw/zinc/14/99/84/656149984.db2.gz QFKILJAIHZDAHZ-ZKCHVHJHSA-N 1 0 391.184 1.222 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cnc(Cl)c1Br ZINC000868304430 656150040 /nfs/dbraw/zinc/15/00/40/656150040.db2.gz MUNWBXNOZVIAHM-ZKCHVHJHSA-N 1 0 375.654 1.598 20 0 GDADRO CC[NH+]1CCC(NC(=O)NCc2c(I)cnn2C)CC1 ZINC000868352013 656151659 /nfs/dbraw/zinc/15/16/59/656151659.db2.gz NJPYFQLJUFCOPG-UHFFFAOYSA-N 1 0 391.257 1.308 20 0 GDADRO Cn1ncc(I)c1CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000868365877 656152126 /nfs/dbraw/zinc/15/21/26/656152126.db2.gz JQHMUKVJWSGXGV-VIFPVBQESA-N 1 0 389.241 1.061 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2c(I)cnn2C)C1 ZINC000868785473 656168941 /nfs/dbraw/zinc/16/89/41/656168941.db2.gz ZUGQGVDQKDBNIQ-JTQLQIEISA-N 1 0 391.257 1.308 20 0 GDADRO CCN(C(=O)c1cc(I)nn1C)[C@H]1CC[N@H+](CC)C1 ZINC000869247526 656188406 /nfs/dbraw/zinc/18/84/06/656188406.db2.gz LBEBCVQKXITPCJ-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO CC[C@H](C[NH+](C)C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl ZINC000870550645 656239577 /nfs/dbraw/zinc/23/95/77/656239577.db2.gz RTPKWBYCWQHWJU-GFCCVEGCSA-N 1 0 392.905 1.762 20 0 GDADRO CC(=O)N[C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000870912754 656255118 /nfs/dbraw/zinc/25/51/18/656255118.db2.gz LJEOLZRRIBYCHI-NVXWUHKLSA-N 1 0 380.286 1.838 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000870932271 656256293 /nfs/dbraw/zinc/25/62/93/656256293.db2.gz BNHUCDPOZGMHAW-GVDBMIGSSA-N 1 0 378.314 1.746 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)c2cnn(C(C)C)c2I)C1 ZINC000870934030 656256536 /nfs/dbraw/zinc/25/65/36/656256536.db2.gz CSQGNEIPIUZZSJ-JTQLQIEISA-N 1 0 376.242 1.893 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(C)=O)c1cccc(Br)c1 ZINC000870943649 656257554 /nfs/dbraw/zinc/25/75/54/656257554.db2.gz RJUFYIMCGGPDKR-KKUMJFAQSA-N 1 0 386.265 1.785 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CCCO[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000870946614 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O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901009632 659179146 /nfs/dbraw/zinc/17/91/46/659179146.db2.gz RKWJOWSSTDAVOS-QWHCGFSZSA-N 1 0 383.436 1.434 20 0 GDADRO O=C1[C@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)CCN1C1CCOCC1 ZINC000901730240 659231293 /nfs/dbraw/zinc/23/12/93/659231293.db2.gz VGYQHFCLBQNFBT-WCQYABFASA-N 1 0 383.290 1.330 20 0 GDADRO C[NH+](C)CCn1cc(NS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)ccc1=O ZINC000903101772 659294931 /nfs/dbraw/zinc/29/49/31/659294931.db2.gz IPPAQZSDCVLIEE-CYBMUJFWSA-N 1 0 382.313 1.736 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000903100809 659295003 /nfs/dbraw/zinc/29/50/03/659295003.db2.gz YUTIETYDRSJXNO-UHFFFAOYSA-N 1 0 386.543 1.603 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000903162989 659298113 /nfs/dbraw/zinc/29/81/13/659298113.db2.gz VHXRVPXAVKBZHS-UHFFFAOYSA-N 1 0 393.531 1.800 20 0 GDADRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903229998 659308087 /nfs/dbraw/zinc/30/80/87/659308087.db2.gz TZBIZJGRFWHQHK-CYBMUJFWSA-N 1 0 375.516 1.075 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)N2CCCC2)ccc1S(C)(=O)=O ZINC000903291244 659312418 /nfs/dbraw/zinc/31/24/18/659312418.db2.gz SYWMQIWMZLLKHE-ZDUSSCGKSA-N 1 0 390.527 1.175 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000903434870 659315359 /nfs/dbraw/zinc/31/53/59/659315359.db2.gz LWEAQHRGTITEFE-OLZOCXBDSA-N 1 0 377.963 1.953 20 0 GDADRO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903427625 659315461 /nfs/dbraw/zinc/31/54/61/659315461.db2.gz ZVUQJMSPTZPBPD-CQSZACIVSA-N 1 0 377.432 1.764 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(n2nncc2I)CC1 ZINC000903464110 659316017 /nfs/dbraw/zinc/31/60/17/659316017.db2.gz ZUWCFTWPJLATCI-MNOVXSKESA-N 1 0 375.258 1.375 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc(I)s2)C1 ZINC000903491301 659317839 /nfs/dbraw/zinc/31/78/39/659317839.db2.gz DDZGCKHCJOWNKC-YUMQZZPRSA-N 1 0 386.280 1.901 20 0 GDADRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(I)s2)C1 ZINC000903497957 659319131 /nfs/dbraw/zinc/31/91/31/659319131.db2.gz VGCRXAPDDPYBSK-JTQLQIEISA-N 1 0 386.280 1.712 20 0 GDADRO [NH3+]CCCOCCNS(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC000903512439 659322109 /nfs/dbraw/zinc/32/21/09/659322109.db2.gz VKPKVGSRMXOZDP-UHFFFAOYSA-N 1 0 376.276 1.574 20 0 GDADRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903513327 659322601 /nfs/dbraw/zinc/32/26/01/659322601.db2.gz IROORUZAKQVIAL-NSHDSACASA-N 1 0 379.276 1.581 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)CCO1 ZINC000903513610 659322878 /nfs/dbraw/zinc/32/28/78/659322878.db2.gz PMVCDAWPRLLKRX-SKDRFNHKSA-N 1 0 381.267 1.466 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903517131 659324136 /nfs/dbraw/zinc/32/41/36/659324136.db2.gz BEQDEVKOUGXRCM-BXKDBHETSA-N 1 0 391.287 1.595 20 0 GDADRO [NH3+][C@@H]1CN(Cc2nnnn2-c2ccccc2Br)C[C@H]1C(F)(F)F ZINC000903517398 659325005 /nfs/dbraw/zinc/32/50/05/659325005.db2.gz IECYVZHCUCCJMT-PSASIEDQSA-N 1 0 391.195 1.746 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c1F ZINC000903518007 659325305 /nfs/dbraw/zinc/32/53/05/659325305.db2.gz INCFXMVTPYXHTG-RKDXNWHRSA-N 1 0 381.267 1.968 20 0 GDADRO C[NH2+][C@H]1CCCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903518448 659325644 /nfs/dbraw/zinc/32/56/44/659325644.db2.gz NZWZYJVPSWTWCJ-NSHDSACASA-N 1 0 391.287 1.691 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903519008 659326227 /nfs/dbraw/zinc/32/62/27/659326227.db2.gz UVQVUZAMCRFJNW-GMTAPVOTSA-N 1 0 379.404 1.239 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000903525406 659329532 /nfs/dbraw/zinc/32/95/32/659329532.db2.gz HTPRVCMXOIWLRS-UWVGGRQHSA-N 1 0 375.244 1.054 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000903529357 659330853 /nfs/dbraw/zinc/33/08/53/659330853.db2.gz YNDZXWZIJSESFQ-UHOFOFEASA-N 1 0 385.917 1.472 20 0 GDADRO CS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903534002 659331954 /nfs/dbraw/zinc/33/19/54/659331954.db2.gz JNGKGSGLVPDKFP-CHWSQXEVSA-N 1 0 379.404 1.240 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)cc1Cl ZINC000903538043 659332907 /nfs/dbraw/zinc/33/29/07/659332907.db2.gz LLCJGSSHZWQUEF-UHFFFAOYSA-N 1 0 378.878 1.486 20 0 GDADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903538046 659333233 /nfs/dbraw/zinc/33/32/33/659333233.db2.gz LVDBAKXDQSZVJC-UHFFFAOYSA-N 1 0 377.304 1.886 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000903548351 659337220 /nfs/dbraw/zinc/33/72/20/659337220.db2.gz FGJWEFBSXZLDKA-VXGBXAGGSA-N 1 0 394.946 1.409 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC2(C)C)c(Br)o1 ZINC000903554681 659339879 /nfs/dbraw/zinc/33/98/79/659339879.db2.gz UXPBCTQUJVKMMA-SECBINFHSA-N 1 0 381.248 1.105 20 0 GDADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903570302 659344332 /nfs/dbraw/zinc/34/43/32/659344332.db2.gz ALNGOANLZCDFNR-PWNWJAOYSA-N 1 0 378.372 1.383 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC[C@H]1C(F)(F)F ZINC000903577599 659348316 /nfs/dbraw/zinc/34/83/16/659348316.db2.gz OQAFQGQRYIZIKH-NEPJUHHUSA-N 1 0 380.388 1.748 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(F)c1 ZINC000903579183 659349906 /nfs/dbraw/zinc/34/99/06/659349906.db2.gz MGJNPJWGLLFVJK-KOLCDFICSA-N 1 0 384.351 1.513 20 0 GDADRO CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903579842 659350430 /nfs/dbraw/zinc/35/04/30/659350430.db2.gz QSRZCNRQALDZNQ-QWHCGFSZSA-N 1 0 379.404 1.935 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc3c2OCCCO3)CC[C@H]1C(F)(F)F ZINC000903579935 659350821 /nfs/dbraw/zinc/35/08/21/659350821.db2.gz RFOVUVIPRWTKLL-GHMZBOCLSA-N 1 0 380.388 1.748 20 0 GDADRO COC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1C ZINC000903580588 659351372 /nfs/dbraw/zinc/35/13/72/659351372.db2.gz VYHDEKVUHBRKBJ-NWDGAFQWSA-N 1 0 380.388 1.682 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)C[C@@H]1[NH3+] ZINC000903584553 659353596 /nfs/dbraw/zinc/35/35/96/659353596.db2.gz NZHFWHBTEIBEFX-ZDUSSCGKSA-N 1 0 391.287 1.578 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903587177 659355094 /nfs/dbraw/zinc/35/50/94/659355094.db2.gz RBLXWVLRDMWEMA-ZDUSSCGKSA-N 1 0 389.905 1.408 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000903593325 659357173 /nfs/dbraw/zinc/35/71/73/659357173.db2.gz ZBHNZLJAFWTXCA-YGRLFVJLSA-N 1 0 375.288 1.960 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N(C)CCCF)c(C)c[nH+]1 ZINC000903662188 659371573 /nfs/dbraw/zinc/37/15/73/659371573.db2.gz VJIWQDSUZKDJSW-UHFFFAOYSA-N 1 0 395.522 1.263 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903735557 659378296 /nfs/dbraw/zinc/37/82/96/659378296.db2.gz BMBRFPUDIGIVPT-XJKSGUPXSA-N 1 0 383.290 1.483 20 0 GDADRO CCc1cnc(CN(C)C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903754421 659379150 /nfs/dbraw/zinc/37/91/50/659379150.db2.gz HTHXHTURFAMPCN-WDEREUQCSA-N 1 0 378.420 1.402 20 0 GDADRO O=C(C(=O)N1CCS[C@H](C(F)(F)F)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000903766238 659379330 /nfs/dbraw/zinc/37/93/30/659379330.db2.gz ZNMKVJWOXWFXIJ-STQMWFEESA-N 1 0 379.448 1.483 20 0 GDADRO Ic1cnnn1C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903764715 659379362 /nfs/dbraw/zinc/37/93/62/659379362.db2.gz AOSHBRNCMHAFGZ-GFCCVEGCSA-N 1 0 389.285 1.909 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](c3nccs3)C2)CC[C@H]1C(F)(F)F ZINC000903775794 659380117 /nfs/dbraw/zinc/38/01/17/659380117.db2.gz GQYQNGOGCBXPQR-HBNTYKKESA-N 1 0 376.404 1.197 20 0 GDADRO C[C@@H]1c2sccc2CCN1C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903777236 659380482 /nfs/dbraw/zinc/38/04/82/659380482.db2.gz VBYWZBLXZLCBGW-YUSALJHKSA-N 1 0 375.416 1.932 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000903830677 659382511 /nfs/dbraw/zinc/38/25/11/659382511.db2.gz HVMRMGPSIPTXIB-BBRMVZONSA-N 1 0 384.318 1.937 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000903876977 659385916 /nfs/dbraw/zinc/38/59/16/659385916.db2.gz QUMHPTBZFXNZIO-NSHDSACASA-N 1 0 376.682 1.961 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1CC(=O)Nc1cccc(I)c1 ZINC000903874758 659386008 /nfs/dbraw/zinc/38/60/08/659386008.db2.gz IZSRNUSYWUBKAT-ZDUSSCGKSA-N 1 0 389.237 1.150 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1ccc(Br)cc1Cl ZINC000903968277 659390454 /nfs/dbraw/zinc/39/04/54/659390454.db2.gz KEQVAHHRTYAGDX-LBPRGKRZSA-N 1 0 381.723 1.969 20 0 GDADRO COCCOCCOc1ccc(NC(=O)N(C)CC[NH3+])cc1Br ZINC000904546190 659403872 /nfs/dbraw/zinc/40/38/72/659403872.db2.gz OGHDYRIVBAJHIZ-UHFFFAOYSA-N 1 0 390.278 1.913 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905009192 659416778 /nfs/dbraw/zinc/41/67/78/659416778.db2.gz PWEXNKNSYKRXST-OAHLLOKOSA-N 1 0 386.315 1.824 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905014182 659417287 /nfs/dbraw/zinc/41/72/87/659417287.db2.gz VJIXEVOPICVDRV-AWEZNQCLSA-N 1 0 376.404 1.475 20 0 GDADRO C[C@@](O)(C[NH2+]CCNS(=O)(=O)c1ccccc1)C(F)(F)C(F)(F)F ZINC000905027988 659417790 /nfs/dbraw/zinc/41/77/90/659417790.db2.gz YBBYZSGZNDEINO-LLVKDONJSA-N 1 0 376.347 1.503 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000905083441 659421118 /nfs/dbraw/zinc/42/11/18/659421118.db2.gz UQAQPUCMMCSYIT-AWEZNQCLSA-N 1 0 383.297 1.278 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905104050 659424505 /nfs/dbraw/zinc/42/45/05/659424505.db2.gz DDNHPGPAOOIFRL-HNNXBMFYSA-N 1 0 385.302 1.663 20 0 GDADRO CC[C@](O)(C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(F)(F)F ZINC000905108704 659424884 /nfs/dbraw/zinc/42/48/84/659424884.db2.gz HSYCFFARVKMLSB-JTQLQIEISA-N 1 0 386.358 1.841 20 0 GDADRO O=S(=O)(c1ccc(CC[NH2+]C[C@@H](O)C2(O)CCC2)s1)N1CCCCC1 ZINC000905139542 659426809 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CS(=O)(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000905452626 659454514 /nfs/dbraw/zinc/45/45/14/659454514.db2.gz MGGZDZSDTRWEPS-OBJOEFQTSA-N 1 0 396.278 1.493 20 0 GDADRO O[C@H](C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1)COc1ccc(Cl)cc1Br ZINC000905464217 659455435 /nfs/dbraw/zinc/45/54/35/659455435.db2.gz DDKDVQBFZLMARC-VCDKRKBESA-N 1 0 380.666 1.316 20 0 GDADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000905474908 659456529 /nfs/dbraw/zinc/45/65/29/659456529.db2.gz XGVNOGJIEQFVME-MFKMUULPSA-N 1 0 375.288 1.800 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000905480472 659457910 /nfs/dbraw/zinc/45/79/10/659457910.db2.gz HDCIXAINTISEML-LBPRGKRZSA-N 1 0 397.324 1.747 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000905556270 659464808 /nfs/dbraw/zinc/46/48/08/659464808.db2.gz IAZXQESHNDJXMU-XYPHTWIQSA-N 1 0 391.917 1.572 20 0 GDADRO CC(=O)c1ccc(OC[C@@H](O)CNCc2ncc(Br)cn2)cc1 ZINC000905667064 659473372 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1.659 20 0 GDADRO Nc1nc(Br)ccc1Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000905817784 659485008 /nfs/dbraw/zinc/48/50/08/659485008.db2.gz UFUXWJMLQZNHHV-UHFFFAOYSA-N 1 0 380.294 1.032 20 0 GDADRO CC[NH+]1CCN(c2ccc(NS(=O)(=O)N=[S@](C)(=O)CC)cc2F)CC1 ZINC000906074401 659518152 /nfs/dbraw/zinc/51/81/52/659518152.db2.gz MABLZSMCGAUSDG-XMMPIXPASA-N 1 0 392.522 1.742 20 0 GDADRO CC[NH+]1CCC(CNC(=O)c2cn(C)nc2I)CC1 ZINC000906393922 659536616 /nfs/dbraw/zinc/53/66/16/659536616.db2.gz NTBYXSYPJSIDSX-UHFFFAOYSA-N 1 0 376.242 1.486 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cn(C2CC2)c1=O ZINC000906459672 659543333 /nfs/dbraw/zinc/54/33/33/659543333.db2.gz NRDHILXDVOMWIJ-KBPBESRZSA-N 1 0 396.285 1.539 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000906494739 659547985 /nfs/dbraw/zinc/54/79/85/659547985.db2.gz WTHSBYPEGCXOSM-QGZVFWFLSA-N 1 0 396.329 1.842 20 0 GDADRO CO[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(Br)s1 ZINC000906642660 659564431 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[NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000906742872 659579291 /nfs/dbraw/zinc/57/92/91/659579291.db2.gz ZRHSMAVTVQGLBR-HOMQSWHASA-N 1 0 377.242 1.789 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)c(Br)c1 ZINC000906764405 659583474 /nfs/dbraw/zinc/58/34/74/659583474.db2.gz CUSWJHVDNQMBMG-MRXNPFEDSA-N 1 0 382.258 1.751 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000906769421 659584147 /nfs/dbraw/zinc/58/41/47/659584147.db2.gz LDOCNJYZZFSEGW-SNVBAGLBSA-N 1 0 376.240 1.387 20 0 GDADRO COC[C@H](CS(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)OC ZINC000907344834 659731910 /nfs/dbraw/zinc/73/19/10/659731910.db2.gz GEDUCKDNFRUZJH-JKSUJKDBSA-N 1 0 390.571 1.801 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)oc1Cl ZINC000907396345 659745462 /nfs/dbraw/zinc/74/54/62/659745462.db2.gz YYGLZBBTFVVJJY-UHFFFAOYSA-N 1 0 376.862 1.969 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCn2c(nnc2-c2cncc(Br)c2)C1 ZINC000907828280 659836367 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C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cn(C)nc1I ZINC000908190611 659880001 /nfs/dbraw/zinc/88/00/01/659880001.db2.gz PJAOFQTWKBVRRJ-PWSUYJOCSA-N 1 0 388.253 1.724 20 0 GDADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908199479 659881041 /nfs/dbraw/zinc/88/10/41/659881041.db2.gz FCWCFJVMJVXLQR-RYUDHWBXSA-N 1 0 377.432 1.766 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000908362074 659901226 /nfs/dbraw/zinc/90/12/26/659901226.db2.gz SKTRRWPJYRXDRS-HNNXBMFYSA-N 1 0 388.281 1.231 20 0 GDADRO O=C([C@@H](O)c1cccc(Br)c1)N1CCC[C@@H](N2CCOCC2)C1 ZINC000908535421 659923625 /nfs/dbraw/zinc/92/36/25/659923625.db2.gz XBUGHXRELUDSGI-CVEARBPZSA-N 1 0 383.286 1.806 20 0 GDADRO C[N@H+](CC(=O)NCc1ccc(NC(=O)C(F)(F)F)nc1)[C@@H]1CCSC1 ZINC000909494150 659948944 /nfs/dbraw/zinc/94/89/44/659948944.db2.gz MNCYIKSNIFHGDE-LLVKDONJSA-N 1 0 376.404 1.636 20 0 GDADRO O=C(C(=O)N1CCS[C@@H](C(F)(F)F)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000910580082 659975464 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ZDMRIZMDBNIEII-GHMZBOCLSA-N 1 0 380.901 1.928 20 0 GDADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C(=O)NC[C@@H]2CSCCS2)C1 ZINC000911077364 659993424 /nfs/dbraw/zinc/99/34/24/659993424.db2.gz HLRHBJKLNPOLGY-RKVPGOIHSA-N 1 0 379.551 1.127 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000911079435 659993673 /nfs/dbraw/zinc/99/36/73/659993673.db2.gz HQBHJVFQYBTRCW-YPMHNXCESA-N 1 0 388.295 1.598 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000911092075 659994002 /nfs/dbraw/zinc/99/40/02/659994002.db2.gz UKZQMXFTZLXJNF-WCQYABFASA-N 1 0 377.794 1.737 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911110351 659994766 /nfs/dbraw/zinc/99/47/66/659994766.db2.gz BIEIGZJRUJLUCE-VXGBXAGGSA-N 1 0 398.301 1.517 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)C[C@@H]1[NH3+] ZINC000911176913 659997516 /nfs/dbraw/zinc/99/75/16/659997516.db2.gz QHUDJESEXVXZGT-AWEZNQCLSA-N 1 0 394.313 1.793 20 0 GDADRO 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O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571281403 945804638 /nfs/dbraw/zinc/80/46/38/945804638.db2.gz HYKBRKLOMYJFAC-ZIAGYGMSSA-N 1 0 387.463 1.941 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)o1 ZINC001571281618 945806138 /nfs/dbraw/zinc/80/61/38/945806138.db2.gz KDFDOYGYNISITO-GFCCVEGCSA-N 1 0 387.469 1.880 20 0 GDADRO CC1(C)CO[C@@H](C[NH2+][C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2(C)C)C1 ZINC001571281982 945825022 /nfs/dbraw/zinc/82/50/22/945825022.db2.gz QOAWBONRMNLIOW-IUODEOHRSA-N 1 0 387.488 1.450 20 0 GDADRO C[C@H]1C[C@@H](C(=O)NC2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571282195 945830510 /nfs/dbraw/zinc/83/05/10/945830510.db2.gz UAMOZRWNJVFQKX-STQMWFEESA-N 1 0 387.463 1.037 20 0 GDADRO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1C[NH+](CCCC2CCOCC2)C1 ZINC001571282227 945836510 /nfs/dbraw/zinc/83/65/10/945836510.db2.gz VFQHWDKEQVQOFX-CYBMUJFWSA-N 1 0 387.488 1.452 20 0 GDADRO 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O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@H]1CCOC1 ZINC001571289238 945997821 /nfs/dbraw/zinc/99/78/21/945997821.db2.gz XUZQRSMEFSMHHC-CABCVRRESA-N 1 0 388.447 1.371 20 0 GDADRO Cc1ccoc1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571290202 946031565 /nfs/dbraw/zinc/03/15/65/946031565.db2.gz XNWBMOCOBAXLPN-LBPRGKRZSA-N 1 0 388.453 1.460 20 0 GDADRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H](C)OC)CC2)cc1-c1nn[nH]n1 ZINC001571290240 946036449 /nfs/dbraw/zinc/03/64/49/946036449.db2.gz YLEIOQSNAMLEEM-CYBMUJFWSA-N 1 0 388.472 1.238 20 0 GDADRO CC[C@H](C(=O)N1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1)[NH+](C)C ZINC001571294168 946128496 /nfs/dbraw/zinc/12/84/96/946128496.db2.gz BXTPMOJSUYAGNR-QGZVFWFLSA-N 1 0 389.479 1.380 20 0 GDADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CCC[N@H+](C[C@H]3CCCO3)CC2)n1 ZINC000822723879 946166523 /nfs/dbraw/zinc/16/65/23/946166523.db2.gz RTVDYFYWTZOOJQ-GFCCVEGCSA-N 1 0 397.405 1.972 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)c1ccccc1O ZINC001571296053 946183067 /nfs/dbraw/zinc/18/30/67/946183067.db2.gz MPULIERTUMQOBO-NNZMDNLPSA-N 1 0 390.447 1.680 20 0 GDADRO O=C(c1cncnc1C1CC1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571297951 946201572 /nfs/dbraw/zinc/20/15/72/946201572.db2.gz FIZYGMDKKCGNTA-INIZCTEOSA-N 1 0 390.451 1.538 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)CC(C)(C)O ZINC001571298263 946211140 /nfs/dbraw/zinc/21/11/40/946211140.db2.gz LXIXCMJHFHNPHI-WFASDCNBSA-N 1 0 390.463 1.636 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C1 ZINC001571298521 946219052 /nfs/dbraw/zinc/21/90/52/946219052.db2.gz ABUJFRNBHBHFCI-QWHCGFSZSA-N 1 0 390.517 1.201 20 0 GDADRO O=C([C@@H]1CCCOCC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299037 946238904 /nfs/dbraw/zinc/23/89/04/946238904.db2.gz HTQPISIRLDRLIL-ZIAGYGMSSA-N 1 0 390.513 1.826 20 0 GDADRO O=C([C@H]1CCCO1)N1CCCCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299365 946247508 /nfs/dbraw/zinc/24/75/08/946247508.db2.gz LRCLWKMIQVGCFO-UKRRQHHQSA-N 1 0 390.513 1.968 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1c1ncc(-c2nn[nH]n2)cc1Cl ZINC001571299748 946261837 /nfs/dbraw/zinc/26/18/37/946261837.db2.gz PLPCFSPNLFLJHL-DDTOSNHZSA-N 1 0 390.879 1.093 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571300301 946276813 /nfs/dbraw/zinc/27/68/13/946276813.db2.gz ZFEIHZYFYCRXMM-JSGCOSHPSA-N 1 0 390.879 1.094 20 0 GDADRO Cc1cc(N2CC[C@@H]3CN(C(=O)CC(C)(F)F)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571302434 946302392 /nfs/dbraw/zinc/30/23/92/946302392.db2.gz XSRXTJYCGDWQSJ-OLZOCXBDSA-N 1 0 391.426 1.900 20 0 GDADRO O=C(c1cccnn1)N1CC[C@]2(C1)CCCN(c1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571303292 946330642 /nfs/dbraw/zinc/33/06/42/946330642.db2.gz OAXWJXOVYLWLOO-LJQANCHMSA-N 1 0 391.439 1.184 20 0 GDADRO O=C(c1ncccc1O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571303556 946338834 /nfs/dbraw/zinc/33/88/34/946338834.db2.gz NOHSXSOJSNCALR-JKSUJKDBSA-N 1 0 391.435 1.314 20 0 GDADRO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)cc1 ZINC001571306759 946408792 /nfs/dbraw/zinc/40/87/92/946408792.db2.gz PDRLDSVFHMXCRJ-VQIMIIECSA-N 1 0 391.479 1.892 20 0 GDADRO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001571306957 946411402 /nfs/dbraw/zinc/41/14/02/946411402.db2.gz SCPOUDQETITYEV-SFHVURJKSA-N 1 0 391.479 1.930 20 0 GDADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCCO1)[C@H]1CC1(F)F ZINC001571307214 946421067 /nfs/dbraw/zinc/42/10/67/946421067.db2.gz ABGDIJFRAKVOOL-UKRRQHHQSA-N 1 0 392.410 1.229 20 0 GDADRO O=C(N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1(F)CCOCC1 ZINC001571307243 946421355 /nfs/dbraw/zinc/42/13/55/946421355.db2.gz ASLYUZLDOGXKJM-CQSZACIVSA-N 1 0 392.410 1.215 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CC1(F)F ZINC001571308075 946429034 /nfs/dbraw/zinc/42/90/34/946429034.db2.gz LMRZCHUDXIOGDO-BEAPCOKYSA-N 1 0 392.385 1.883 20 0 GDADRO O=C(N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)[C@@]1(F)CCOC1 ZINC001571308553 946434176 /nfs/dbraw/zinc/43/41/76/946434176.db2.gz QUTZVITTWXDFPU-GOSISDBHSA-N 1 0 392.410 1.215 20 0 GDADRO C[C@H](NC(=O)c1cncnc1)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571310608 946477058 /nfs/dbraw/zinc/47/70/58/946477058.db2.gz KPJZPMSUEKACOR-GJZGRUSLSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H]1CN(C(=O)CCc2cncnc2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571313209 946515100 /nfs/dbraw/zinc/51/51/00/946515100.db2.gz KCSVTZSANKTUBS-KBXCAEBGSA-N 1 0 392.467 1.226 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)CCc1ncccn1 ZINC001571313285 946518153 /nfs/dbraw/zinc/51/81/53/946518153.db2.gz LKMWFNQLKKZGNN-YOEHRIQHSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)c1cccc(N(C)C)c1 ZINC001571313846 946535223 /nfs/dbraw/zinc/53/52/23/946535223.db2.gz XDJFQUPJCJAMJH-HIFRSBDPSA-N 1 0 392.467 1.465 20 0 GDADRO Cc1cc[nH]c1C(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571314747 946545073 /nfs/dbraw/zinc/54/50/73/946545073.db2.gz BZRSABPBCDJQLD-XOBRGWDASA-N 1 0 392.467 1.675 20 0 GDADRO Cc1cc(N2C[C@H](NC(=O)Cc3cccnc3)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316145 946565757 /nfs/dbraw/zinc/56/57/57/946565757.db2.gz UXISZBKKQMINIR-GOEBONIOSA-N 1 0 392.467 1.681 20 0 GDADRO Cc1cnccc1CC(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571316400 946577319 /nfs/dbraw/zinc/57/73/19/946577319.db2.gz BKIOPOURUMPSPX-HNNXBMFYSA-N 1 0 392.467 1.493 20 0 GDADRO Cc1cnc(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571316547 946579078 /nfs/dbraw/zinc/57/90/78/946579078.db2.gz FZIXJMJSELNGCF-INIZCTEOSA-N 1 0 392.467 1.607 20 0 GDADRO Cn1ccc(C(=O)N2CCC3(CCN(c4cc[nH+]cc4-c4nn[nH]n4)C3)CC2)c1 ZINC001571316742 946587038 /nfs/dbraw/zinc/58/70/38/946587038.db2.gz LFEQWIKYHMYBAH-UHFFFAOYSA-N 1 0 392.467 1.733 20 0 GDADRO Cc1nccc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571317148 946600626 /nfs/dbraw/zinc/60/06/26/946600626.db2.gz WQGBSWNFFJONAG-HOCLYGCPSA-N 1 0 392.467 1.653 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCn2ccnc2C1 ZINC001571317153 946602552 /nfs/dbraw/zinc/60/25/52/946602552.db2.gz WREMTJZSCFGCLI-ZBFHGGJFSA-N 1 0 392.467 1.016 20 0 GDADRO O=C(c1cc[nH]n1)N1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC001571317425 946609081 /nfs/dbraw/zinc/60/90/81/946609081.db2.gz HGFHMCXQRAOTPX-WMZOPIPTSA-N 1 0 392.467 1.717 20 0 GDADRO Brc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001573280658 946666290 /nfs/dbraw/zinc/66/62/90/946666290.db2.gz VKTTUYKZOGDGQF-VIFPVBQESA-N 1 0 376.222 1.132 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824548071 946791036 /nfs/dbraw/zinc/79/10/36/946791036.db2.gz UZTMZBPKTWPJMC-XJKSGUPXSA-N 1 0 380.456 1.442 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@](C)=O)cc1 ZINC000824565085 946804328 /nfs/dbraw/zinc/80/43/28/946804328.db2.gz YQFDJOGTRGXIMY-MUDIAHQHSA-N 1 0 384.465 1.893 20 0 GDADRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824899466 946980801 /nfs/dbraw/zinc/98/08/01/946980801.db2.gz KCDRVSJZKLGVSD-ZMYBRWDISA-N 1 0 395.511 1.430 20 0 GDADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824974729 947013962 /nfs/dbraw/zinc/01/39/62/947013962.db2.gz DZBMSMXRUSTAFF-QRWLVFNGSA-N 1 0 381.528 1.903 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc2c(c1)ncn2C ZINC000825001098 947035156 /nfs/dbraw/zinc/03/51/56/947035156.db2.gz WYJOUKUWGKMMGH-ZDUSSCGKSA-N 1 0 390.455 1.254 20 0 GDADRO CC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000825140033 947094781 /nfs/dbraw/zinc/09/47/81/947094781.db2.gz JBXHQLSCLZXGQC-INIZCTEOSA-N 1 0 390.444 1.894 20 0 GDADRO C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573585363 947255506 /nfs/dbraw/zinc/25/55/06/947255506.db2.gz DTBKDSWWFDYVHS-CABCVRRESA-N 1 0 386.504 1.785 20 0 GDADRO CC(C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)=C1CCC1 ZINC001573591580 947318116 /nfs/dbraw/zinc/31/81/16/947318116.db2.gz DGQCDPPJVKXSRR-QGZVFWFLSA-N 1 0 384.484 1.618 20 0 GDADRO CN(C)C(=O)C1CC[NH+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825840799 947345878 /nfs/dbraw/zinc/34/58/78/947345878.db2.gz QTUXPUPWJGZYCR-QGZVFWFLSA-N 1 0 397.483 1.162 20 0 GDADRO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825908642 947365026 /nfs/dbraw/zinc/36/50/26/947365026.db2.gz KHWNHPIHGAEDFF-JQHSSLGASA-N 1 0 384.484 1.845 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573594494 947396969 /nfs/dbraw/zinc/39/69/69/947396969.db2.gz BFUUUYUJFBMTAS-TZMCWYRMSA-N 1 0 392.479 1.597 20 0 GDADRO C[C@H](C(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)c1cccnc1 ZINC001573598814 947443964 /nfs/dbraw/zinc/44/39/64/947443964.db2.gz RWIFJMFKMYBWHJ-AWEZNQCLSA-N 1 0 380.456 1.745 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC001573599595 947458562 /nfs/dbraw/zinc/45/85/62/947458562.db2.gz YOZOBPDVMIVROP-BBRMVZONSA-N 1 0 384.440 1.172 20 0 GDADRO C[C@@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2)n1cccc1 ZINC001573614745 947589485 /nfs/dbraw/zinc/58/94/85/947589485.db2.gz OSRXALVPXQVZCU-INIZCTEOSA-N 1 0 391.479 1.964 20 0 GDADRO C[C@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573616486 947622473 /nfs/dbraw/zinc/62/24/73/947622473.db2.gz IVSQVLQWEHBMOA-SUMWQHHRSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccn1 ZINC001573616973 947632598 /nfs/dbraw/zinc/63/25/98/947632598.db2.gz KHMJLRCPNDOCFO-WFASDCNBSA-N 1 0 384.419 1.154 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573617901 947644077 /nfs/dbraw/zinc/64/40/77/947644077.db2.gz QGBNZLHSXRKLRL-LIRRHRJNSA-N 1 0 380.456 1.397 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573627932 947740914 /nfs/dbraw/zinc/74/09/14/947740914.db2.gz CWJKIMDBHYUNKI-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573368352 947768958 /nfs/dbraw/zinc/76/89/58/947768958.db2.gz NIEFEJINZOSRNB-WBVHZDCISA-N 1 0 384.484 1.953 20 0 GDADRO Cc1onc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1-c1nn[nH]n1 ZINC000826269820 947778715 /nfs/dbraw/zinc/77/87/15/947778715.db2.gz YNRYKSFATIIFPT-UHFFFAOYSA-N 1 0 396.455 1.405 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573373005 947788273 /nfs/dbraw/zinc/78/82/73/947788273.db2.gz HCUGYUBNSHIYQZ-AWEZNQCLSA-N 1 0 388.447 1.703 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 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RJCJTWUUZCOPBX-WMZOPIPTSA-N 1 0 383.500 1.465 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000826389452 948197755 /nfs/dbraw/zinc/19/77/55/948197755.db2.gz YSSAWQYCDZFOJM-SFHVURJKSA-N 1 0 394.483 1.782 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cccs1 ZINC001573681591 948208370 /nfs/dbraw/zinc/20/83/70/948208370.db2.gz WPHPIIPOTHICEA-TZMCWYRMSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cnn(C)c1 ZINC001573691175 948237266 /nfs/dbraw/zinc/23/72/66/948237266.db2.gz DNZCYQHIVTVEJP-CYBMUJFWSA-N 1 0 380.456 1.142 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC1)[C@H]1CCCO1 ZINC001573692000 948252846 /nfs/dbraw/zinc/25/28/46/948252846.db2.gz KLUKLNBAIDJYHE-WMLDXEAASA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCOCC1)C1CC1 ZINC001573692154 948256701 /nfs/dbraw/zinc/25/67/01/948256701.db2.gz MLFMWUVTDGDRSN-AWEZNQCLSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573692226 948258076 /nfs/dbraw/zinc/25/80/76/948258076.db2.gz NCOGECLUIKWJOY-SMDDNHRTSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)[C@H]1CCCO1 ZINC001573692694 948271026 /nfs/dbraw/zinc/27/10/26/948271026.db2.gz RVFSWYYVZKBHJD-MLGOLLRUSA-N 1 0 388.447 1.559 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826432204 948284371 /nfs/dbraw/zinc/28/43/71/948284371.db2.gz UTUNSXNHECIHLH-SQNIBIBYSA-N 1 0 397.483 1.576 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573693814 948288998 /nfs/dbraw/zinc/28/89/98/948288998.db2.gz ZQNCRDQEHUKCMV-LRDDRELGSA-N 1 0 388.447 1.559 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@@H]2Cn2cccn2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477158 948388203 /nfs/dbraw/zinc/38/82/03/948388203.db2.gz WSWNZVDEUQFDGO-MSOLQXFVSA-N 1 0 392.467 1.723 20 0 GDADRO C[C@H](C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573714112 948469230 /nfs/dbraw/zinc/46/92/30/948469230.db2.gz DRSGQILCQKVZET-LSDHHAIUSA-N 1 0 392.467 1.793 20 0 GDADRO C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)n1cccn1 ZINC001573717329 948506869 /nfs/dbraw/zinc/50/68/69/948506869.db2.gz LHWAOQROKSMXIB-QWHCGFSZSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](C(=O)NCCN(C)c1cccc(F)c1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573717475 948507867 /nfs/dbraw/zinc/50/78/67/948507867.db2.gz CVHUIPMLSPMFAM-CQSZACIVSA-N 1 0 389.479 1.823 20 0 GDADRO C[C@@H](CCNC(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573718352 948515178 /nfs/dbraw/zinc/51/51/78/948515178.db2.gz QWOFDGRVRAGWRL-KBPBESRZSA-N 1 0 382.472 1.388 20 0 GDADRO C[N@@H+]1C[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)[C@H]2C1 ZINC001562030290 948558983 /nfs/dbraw/zinc/55/89/83/948558983.db2.gz JLIQJKCPUATUGG-WFBYXXMGSA-N 1 0 382.877 1.139 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccnc1 ZINC001573732759 948607521 /nfs/dbraw/zinc/60/75/21/948607521.db2.gz XCVWECJSCXUQFJ-QWHCGFSZSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H](C)c1cccnc1 ZINC001573739663 948621300 /nfs/dbraw/zinc/62/13/00/948621300.db2.gz FZJWPSAUFXZSPT-CHWSQXEVSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573749386 948701198 /nfs/dbraw/zinc/70/11/98/948701198.db2.gz ZLYNXKHHYXJFEP-KFWWJZLASA-N 1 0 384.488 1.585 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573753444 948719080 /nfs/dbraw/zinc/71/90/80/948719080.db2.gz VHAVKAXWTUMHMS-DAXOMENPSA-N 1 0 383.431 1.805 20 0 GDADRO CC(C)[C@@H](F)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574075670 948746007 /nfs/dbraw/zinc/74/60/07/948746007.db2.gz YQRYQCRAPRBDMU-APWZRJJASA-N 1 0 390.463 1.304 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1ccsc1 ZINC001573757299 948831766 /nfs/dbraw/zinc/83/17/66/948831766.db2.gz ZQFIDVJOKOJELR-ADDUCUOXSA-N 1 0 381.465 1.678 20 0 GDADRO C[C@H](CNC(=O)CCCn1ccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574918478 948845663 /nfs/dbraw/zinc/84/56/63/948845663.db2.gz LCAXEOAZRRMBJH-OAHLLOKOSA-N 1 0 382.472 1.480 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCCCO1 ZINC001573763395 948870032 /nfs/dbraw/zinc/87/00/32/948870032.db2.gz DRYCRCUASGVHBN-BBRMVZONSA-N 1 0 385.472 1.292 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574684779 948885194 /nfs/dbraw/zinc/88/51/94/948885194.db2.gz MOFZPRNNIYZBBV-SMDDNHRTSA-N 1 0 376.440 1.192 20 0 GDADRO C[C@@H](CNC(=O)CCc1nccs1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920673 948910220 /nfs/dbraw/zinc/91/02/20/948910220.db2.gz NZJFTWOGMCPKOV-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574921119 948913627 /nfs/dbraw/zinc/91/36/27/948913627.db2.gz SOVIXYGCIPUTAF-NSHDSACASA-N 1 0 391.526 1.954 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573766034 948930421 /nfs/dbraw/zinc/93/04/21/948930421.db2.gz VAFQGVDHJSEFSX-ZDUSSCGKSA-N 1 0 387.463 1.893 20 0 GDADRO CC(F)(F)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001575236140 948933849 /nfs/dbraw/zinc/93/38/49/948933849.db2.gz WLFCKIQOEZLMGC-JYAVWHMHSA-N 1 0 380.374 1.598 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O)C1CC1 ZINC001573774138 949006373 /nfs/dbraw/zinc/00/63/73/949006373.db2.gz RAEKXIVECJLQNP-IAGOWNOFSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@@H](CNC(=O)C[NH+]1CCCC1)N(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926715 949017228 /nfs/dbraw/zinc/01/72/28/949017228.db2.gz VRGWMWSPHFGKPV-ZDUSSCGKSA-N 1 0 375.452 1.038 20 0 GDADRO C[C@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574693123 949045184 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/nfs/dbraw/zinc/40/32/31/949403231.db2.gz IHGXMEXCOGBAQP-WDEREUQCSA-N 1 0 383.378 1.935 20 0 GDADRO CC(C)n1cnc(C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001574464195 949403369 /nfs/dbraw/zinc/40/33/69/949403369.db2.gz JAKYYKDYCVVUMA-ZDUSSCGKSA-N 1 0 381.444 1.035 20 0 GDADRO C[C@@H](CNC(=O)Cc1cncs1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574945507 949410272 /nfs/dbraw/zinc/41/02/72/949410272.db2.gz LEZWKALVYTWAPV-JTQLQIEISA-N 1 0 375.433 1.299 20 0 GDADRO CC(C)n1cnc(C(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001574464665 949421638 /nfs/dbraw/zinc/42/16/38/949421638.db2.gz QKGKGUKIUPTQTH-UHFFFAOYSA-N 1 0 380.456 1.506 20 0 GDADRO CC(C)n1cnc(C(=O)N(C)CC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001574464687 949425505 /nfs/dbraw/zinc/42/55/05/949425505.db2.gz RMCCGRDVARWARO-UHFFFAOYSA-N 1 0 382.472 1.848 20 0 GDADRO CC(C)n1cnc(C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001574465402 949434401 /nfs/dbraw/zinc/43/44/01/949434401.db2.gz XNEBJDOOHQYJNX-CYBMUJFWSA-N 1 0 381.444 1.178 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575535169 949439711 /nfs/dbraw/zinc/43/97/11/949439711.db2.gz SVKYWTCLXBLRNZ-YVEFUNNKSA-N 1 0 376.486 1.293 20 0 GDADRO C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)CC[NH+](C)C ZINC001576156582 949449114 /nfs/dbraw/zinc/44/91/14/949449114.db2.gz NGWMXPHGDHBTAR-SCLBCKFNSA-N 1 0 387.492 1.085 20 0 GDADRO C[C@H](CNC(=O)Cn1cc(Cl)cn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574947792 949452889 /nfs/dbraw/zinc/45/28/89/949452889.db2.gz DGXMJVDHLWCSOV-SNVBAGLBSA-N 1 0 392.826 1.150 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)c1 ZINC001574469221 949476816 /nfs/dbraw/zinc/47/68/16/949476816.db2.gz YWOJOAFLBFJOEP-VQFNDLOPSA-N 1 0 392.467 1.504 20 0 GDADRO C[C@@H]1CCC[C@@H](CC[NH2+]CCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576157213 949477390 /nfs/dbraw/zinc/47/73/90/949477390.db2.gz ZFWQKVWHJRFAPA-CABCVRRESA-N 1 0 389.504 1.435 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574950445 949537864 /nfs/dbraw/zinc/53/78/64/949537864.db2.gz ORNYFARRRUPSAW-ZIAGYGMSSA-N 1 0 381.440 1.206 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCc2cccnc21)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711471 949542378 /nfs/dbraw/zinc/54/23/78/949542378.db2.gz HQIMPAHPGGMKTK-KDOFPFPSSA-N 1 0 391.479 1.928 20 0 GDADRO C[C@H](CN(C)C(=O)C1CCOCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711827 949556446 /nfs/dbraw/zinc/55/64/46/949556446.db2.gz MSNCRZFQKBHLCT-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H]1CCCC[C@H]1OCC[N@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576165406 949569603 /nfs/dbraw/zinc/56/96/03/949569603.db2.gz JZBWGZBSKIOFTE-XJKSGUPXSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574956455 949577987 /nfs/dbraw/zinc/57/79/87/949577987.db2.gz IPFYFJDRJWPOMO-YHMZSZJBSA-N 1 0 386.431 1.024 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ncc[nH]1 ZINC001573811561 949599457 /nfs/dbraw/zinc/59/94/57/949599457.db2.gz LRNXLBCOMPDOPB-CQSZACIVSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cocn1 ZINC001573811622 949605557 /nfs/dbraw/zinc/60/55/57/949605557.db2.gz MLFITTWJVYITRC-HNNXBMFYSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CC1(O)CCC1 ZINC001573811832 949610446 /nfs/dbraw/zinc/61/04/46/949610446.db2.gz OAGVVYVLMZVTQC-INIZCTEOSA-N 1 0 386.500 1.792 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)COCC1CC1 ZINC001573813530 949632906 /nfs/dbraw/zinc/63/29/06/949632906.db2.gz ZUAMODDNMVOZJQ-QGZVFWFLSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCOC1 ZINC001575547615 949633509 /nfs/dbraw/zinc/63/35/09/949633509.db2.gz DHNIKNPUVIZKGI-XLIONFOSSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574715081 949642467 /nfs/dbraw/zinc/64/24/67/949642467.db2.gz APEQPDNCTYGKAA-AWEZNQCLSA-N 1 0 387.488 1.062 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576169060 949661254 /nfs/dbraw/zinc/66/12/54/949661254.db2.gz DQTHKRJQSZTLBZ-HOCLYGCPSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@@H](NC(=O)CCc1cn[nH]c1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575277302 949746927 /nfs/dbraw/zinc/74/69/27/949746927.db2.gz PVKMHAFGNMJDLV-LLVKDONJSA-N 1 0 386.485 1.221 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cc2cnoc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882051 949749094 /nfs/dbraw/zinc/74/90/94/949749094.db2.gz FTKPAZPMYKMPFZ-SMDDNHRTSA-N 1 0 387.469 1.628 20 0 GDADRO C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001576171196 949751652 /nfs/dbraw/zinc/75/16/52/949751652.db2.gz PJPYHKSEDMEHLF-UKRRQHHQSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2CC23CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC3)CCOC1 ZINC001575559348 949755571 /nfs/dbraw/zinc/75/55/71/949755571.db2.gz BHFURIHZSKRENJ-MAUKXSAKSA-N 1 0 383.456 1.163 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H](C)n1ccnc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574718179 949765272 /nfs/dbraw/zinc/76/52/72/949765272.db2.gz ZCXYVYZFNDHDSE-GJZGRUSLSA-N 1 0 382.472 1.651 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cncc(-c2nn[nH]n2)n1 ZINC001576171474 949767994 /nfs/dbraw/zinc/76/79/94/949767994.db2.gz QZICDDHHQOXYOU-UKRRQHHQSA-N 1 0 387.492 1.036 20 0 GDADRO CC(C)C[C@H](C)CC(=O)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574137884 949774405 /nfs/dbraw/zinc/77/44/05/949774405.db2.gz YOYRBQQRZDRFGT-LSDHHAIUSA-N 1 0 387.488 1.395 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574720647 949800054 /nfs/dbraw/zinc/80/00/54/949800054.db2.gz FIDASKDXBVDPHI-ZDUSSCGKSA-N 1 0 383.431 1.714 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cc2cc[nH]n2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575883549 949818607 /nfs/dbraw/zinc/81/86/07/949818607.db2.gz RIVFAICKRDXDNC-SUMWQHHRSA-N 1 0 380.456 1.302 20 0 GDADRO CC(C)OCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574721754 949818678 /nfs/dbraw/zinc/81/86/78/949818678.db2.gz NKQWLXOVBFEDQQ-CYBMUJFWSA-N 1 0 378.452 1.757 20 0 GDADRO CC(C)C[C@H](C)C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1 ZINC001574143004 949885070 /nfs/dbraw/zinc/88/50/70/949885070.db2.gz DSMMPRKTUJDUQP-HOCLYGCPSA-N 1 0 389.504 1.698 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1C[NH2+]Cc1nccs1 ZINC001576178631 949890769 /nfs/dbraw/zinc/89/07/69/949890769.db2.gz CICVQRJIOHDEEF-RISCZKNCSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@H](CN(C)C(=O)CCn1cccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574725216 949894836 /nfs/dbraw/zinc/89/48/36/949894836.db2.gz PVIKOMPXKWGAFO-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO CC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)CCC1 ZINC001575568874 949897557 /nfs/dbraw/zinc/89/75/57/949897557.db2.gz CAWCCADQKPPRMC-CHWSQXEVSA-N 1 0 376.486 1.170 20 0 GDADRO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001574144224 949908005 /nfs/dbraw/zinc/90/80/05/949908005.db2.gz LRFUIUATAGWWTQ-DZGCQCFKSA-N 1 0 375.477 1.308 20 0 GDADRO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001574144537 949911353 /nfs/dbraw/zinc/91/13/53/949911353.db2.gz OQCBQVKVFBZILI-UONOGXRCSA-N 1 0 375.477 1.308 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576179296 949912894 /nfs/dbraw/zinc/91/28/94/949912894.db2.gz FCZRGWMBPNYRCE-DYVFJYSZSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)CCOC1 ZINC001575569692 949923376 /nfs/dbraw/zinc/92/33/76/949923376.db2.gz NDJOMORJOWVVRQ-LJQANCHMSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](CN(C)C(=O)CCn1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574726055 949926076 /nfs/dbraw/zinc/92/60/76/949926076.db2.gz XIHSYCZIMORGHO-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574146057 949932620 /nfs/dbraw/zinc/93/26/20/949932620.db2.gz WPBBZPDIPBWRHJ-GJZGRUSLSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ncc[nH]2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576180195 949946358 /nfs/dbraw/zinc/94/63/58/949946358.db2.gz NKXOUIGKAFEZNH-XJKSGUPXSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC001574973458 949950081 /nfs/dbraw/zinc/95/00/81/949950081.db2.gz GZSYNPOUIWGXDZ-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](CC(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)C1CC1 ZINC001574489339 949961805 /nfs/dbraw/zinc/96/18/05/949961805.db2.gz ITPYERHPNHSTDD-IMJJTQAJSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@H](CN(C)C(=O)COc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574727614 949976513 /nfs/dbraw/zinc/97/65/13/949976513.db2.gz WAXMEFKTNRGHFB-GFCCVEGCSA-N 1 0 387.469 1.339 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575573957 950009775 /nfs/dbraw/zinc/00/97/75/950009775.db2.gz QNJZJSCUNASHKG-OXQOHEQNSA-N 1 0 384.484 1.620 20 0 GDADRO CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCCCCC1 ZINC001575574339 950012890 /nfs/dbraw/zinc/01/28/90/950012890.db2.gz TWJRTFHNQPVCMR-KRWDZBQOSA-N 1 0 386.500 1.794 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001576181769 950019308 /nfs/dbraw/zinc/01/93/08/950019308.db2.gz JLAABZGGNLLZNT-GDBMZVCRSA-N 1 0 386.504 1.498 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574729576 950020031 /nfs/dbraw/zinc/02/00/31/950020031.db2.gz OLCKZUPXVDSTJX-CQSZACIVSA-N 1 0 391.479 1.674 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnon1 ZINC001574150610 950031042 /nfs/dbraw/zinc/03/10/42/950031042.db2.gz CLGVFUQDWIWYTK-ZDUSSCGKSA-N 1 0 388.407 1.323 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@]1(F)CCOC1 ZINC001574150608 950031407 /nfs/dbraw/zinc/03/14/07/950031407.db2.gz CHIMQIKPHXOMOV-VQIMIIECSA-N 1 0 390.463 1.616 20 0 GDADRO C[C@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCCC2)CCOC1 ZINC001575575046 950041859 /nfs/dbraw/zinc/04/18/59/950041859.db2.gz CQVMGSXMWYJJRF-IBGZPJMESA-N 1 0 384.484 1.812 20 0 GDADRO CC(C)C[C@@H](C[NH2+][C@H](C)c1cnccn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151015 950050707 /nfs/dbraw/zinc/05/07/07/950050707.db2.gz JLGWEBFFCYFCJJ-OLZOCXBDSA-N 1 0 383.460 1.480 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CC1(O)CCC1 ZINC001574151129 950060749 /nfs/dbraw/zinc/06/07/49/950060749.db2.gz LNQYNVXFWJSBHI-ZDUSSCGKSA-N 1 0 392.529 1.854 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1C[NH2+]Cc1ccccn1 ZINC001576182694 950062524 /nfs/dbraw/zinc/06/25/24/950062524.db2.gz OYLAFCAKRBIUAD-CXAGYDPISA-N 1 0 380.456 1.620 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCCO1 ZINC001574151376 950073645 /nfs/dbraw/zinc/07/36/45/950073645.db2.gz QCFZYZHVXCEADI-PBHICJAKSA-N 1 0 390.463 1.805 20 0 GDADRO CC1(C(=O)NCC2([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)CC2)CCOCC1 ZINC001575577521 950083698 /nfs/dbraw/zinc/08/36/98/950083698.db2.gz WDIMDPOFBNXLFJ-UHFFFAOYSA-N 1 0 388.447 1.561 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574733000 950087345 /nfs/dbraw/zinc/08/73/45/950087345.db2.gz PDZBIBGZFWINME-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576183669 950093963 /nfs/dbraw/zinc/09/39/63/950093963.db2.gz SFUIXULIUXRJML-GUYCJALGSA-N 1 0 378.440 1.431 20 0 GDADRO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574152428 950104618 /nfs/dbraw/zinc/10/46/18/950104618.db2.gz CAIKBZLBMWTARK-NVXWUHKLSA-N 1 0 388.520 1.791 20 0 GDADRO CC1(C(=O)NC[C@@]2(O)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CCCC1 ZINC001575582304 950112563 /nfs/dbraw/zinc/11/25/63/950112563.db2.gz IMIRLTNKJLRQPZ-FQEVSTJZSA-N 1 0 384.484 1.500 20 0 GDADRO CC1(C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCOCC1 ZINC001575582505 950114470 /nfs/dbraw/zinc/11/44/70/950114470.db2.gz DWCNBWDWPCPYPS-UHFFFAOYSA-N 1 0 384.484 1.668 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ccnn1C ZINC001574152837 950120739 /nfs/dbraw/zinc/12/07/39/950120739.db2.gz KKKOTNCGNJTZFD-HNNXBMFYSA-N 1 0 382.472 1.535 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574734159 950129015 /nfs/dbraw/zinc/12/90/15/950129015.db2.gz KCDFOPFKLZBAQO-OFSOMGBPSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001574978353 950135111 /nfs/dbraw/zinc/13/51/11/950135111.db2.gz RZJSTOPUULTWON-ZJUUUORDSA-N 1 0 375.383 1.942 20 0 GDADRO CC1(C(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575583757 950155864 /nfs/dbraw/zinc/15/58/64/950155864.db2.gz NMJAKLSEDRRRRV-UHFFFAOYSA-N 1 0 377.399 1.426 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CCOC1 ZINC001575584037 950159161 /nfs/dbraw/zinc/15/91/61/950159161.db2.gz OLLHDWXKJJXOFV-OXJNMPFZSA-N 1 0 384.484 1.764 20 0 GDADRO CC1(C(=O)NC[C@]2(O)CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCC1 ZINC001575584615 950175471 /nfs/dbraw/zinc/17/54/71/950175471.db2.gz YTYHRDBJZNRZCN-LJQANCHMSA-N 1 0 388.447 1.249 20 0 GDADRO CC(C)Oc1cccc(C[NH2+][C@@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001574982610 950176041 /nfs/dbraw/zinc/17/60/41/950176041.db2.gz FMAVICMMWNNUFM-ZDUSSCGKSA-N 1 0 383.456 1.890 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1ccncc1 ZINC001574494741 950179573 /nfs/dbraw/zinc/17/95/73/950179573.db2.gz NLSCGPNBKSCKQI-SCLBCKFNSA-N 1 0 392.467 1.579 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575584951 950182938 /nfs/dbraw/zinc/18/29/38/950182938.db2.gz UHNVXXVDVSCRKI-QRWLVFNGSA-N 1 0 384.484 1.622 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001573844146 950186485 /nfs/dbraw/zinc/18/64/85/950186485.db2.gz CTSGBQPCKVYIKK-HIFRSBDPSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CCN2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191344 950191364 /nfs/dbraw/zinc/19/13/64/950191364.db2.gz FKZUFFJKBFYJAO-UONOGXRCSA-N 1 0 389.529 1.303 20 0 GDADRO C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C[NH2+]Cc1cncs1 ZINC001576191417 950196327 /nfs/dbraw/zinc/19/63/27/950196327.db2.gz HUJDHECJCLJPJT-AAEUAGOBSA-N 1 0 386.485 1.539 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001576191392 950198315 /nfs/dbraw/zinc/19/83/15/950198315.db2.gz FTKWBYAZOZBSPV-CYBMUJFWSA-N 1 0 390.467 1.392 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc2ncccc2c1 ZINC001574739623 950200711 /nfs/dbraw/zinc/20/07/11/950200711.db2.gz UEGCYLCLJLXTDE-ZDUSSCGKSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccn(C)c1 ZINC001575900652 950202012 /nfs/dbraw/zinc/20/20/12/950202012.db2.gz GXTUIHICCNFBFS-SJKOYZFVSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001574983205 950203622 /nfs/dbraw/zinc/20/36/22/950203622.db2.gz MMYXLQMLDBZXOC-MEDUHNTESA-N 1 0 383.431 1.977 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cccn1C ZINC001575900704 950206627 /nfs/dbraw/zinc/20/66/27/950206627.db2.gz HSGUHEFCKSPPED-MLGOLLRUSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576191741 950207702 /nfs/dbraw/zinc/20/77/02/950207702.db2.gz ICAWKKROIAQUBS-WMLDXEAASA-N 1 0 392.467 1.545 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC001574495683 950208260 /nfs/dbraw/zinc/20/82/60/950208260.db2.gz UPCSPLFDPLAYAJ-GXFFZTMASA-N 1 0 386.378 1.022 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cc(O)ccc1Cl ZINC001574739899 950216390 /nfs/dbraw/zinc/21/63/90/950216390.db2.gz YZVZVIZZWCRARU-SNVBAGLBSA-N 1 0 389.847 1.804 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cnns1 ZINC001575901122 950219643 /nfs/dbraw/zinc/21/96/43/950219643.db2.gz LJVBDQHGEGDAPK-NOZJJQNGSA-N 1 0 388.432 1.250 20 0 GDADRO CC(C)(C)CC[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCOCC1 ZINC001573845463 950230779 /nfs/dbraw/zinc/23/07/79/950230779.db2.gz ZRWZNCHNGAIOIF-UHFFFAOYSA-N 1 0 375.477 1.500 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC001574497360 950231966 /nfs/dbraw/zinc/23/19/66/950231966.db2.gz ZRYXYFFPZXJZLF-CJNGLKHVSA-N 1 0 384.440 1.220 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ccnnc1 ZINC001575901632 950236839 /nfs/dbraw/zinc/23/68/39/950236839.db2.gz PFVMRJYOJCAVHK-MEDUHNTESA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC001574497801 950240049 /nfs/dbraw/zinc/24/00/49/950240049.db2.gz DITXQBGCYYZERY-CZUORRHYSA-N 1 0 384.440 1.220 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)cc(F)c2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901701 950241982 /nfs/dbraw/zinc/24/19/82/950241982.db2.gz PXKLDJJGXNAPAC-ZUZCIYMTSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H](CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001574497781 950242826 /nfs/dbraw/zinc/24/28/26/950242826.db2.gz CYWOJNPUTOSWBW-JLTOFOAXSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cnccn1 ZINC001575902066 950250727 /nfs/dbraw/zinc/25/07/27/950250727.db2.gz RXFXBXHSZQXWKV-ABAIWWIYSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)COCC1CC1 ZINC001575902281 950254596 /nfs/dbraw/zinc/25/45/96/950254596.db2.gz UHKJZTZKYINRFP-PXAZEXFGSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnns1 ZINC001575902457 950257452 /nfs/dbraw/zinc/25/74/52/950257452.db2.gz VHDOXJHLCMGTSC-NOZJJQNGSA-N 1 0 388.432 1.250 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCOCC1 ZINC001574157872 950258064 /nfs/dbraw/zinc/25/80/64/950258064.db2.gz KJMZFIXKMDYRIP-LSDHHAIUSA-N 1 0 387.488 1.443 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccnn1C ZINC001575902639 950264654 /nfs/dbraw/zinc/26/46/54/950264654.db2.gz WCFQUVSXNIMUIM-NHYWBVRUSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnsn1 ZINC001575902658 950264994 /nfs/dbraw/zinc/26/49/94/950264994.db2.gz WJPJZDQKHOGIJD-RNCFNFMXSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@H]1[C@@H]([NH2+]CCc2ccccc2F)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575903177 950274298 /nfs/dbraw/zinc/27/42/98/950274298.db2.gz YUINDSNGBMSYLY-WFASDCNBSA-N 1 0 383.431 1.769 20 0 GDADRO CC1CC[NH+](CC(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001576193343 950295337 /nfs/dbraw/zinc/29/53/37/950295337.db2.gz TVCMVFFCPGFBJL-MRXNPFEDSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)C2CC(Nc3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576193393 950296581 /nfs/dbraw/zinc/29/65/81/950296581.db2.gz UJRXKQSLXMLPAT-HSBZDZAISA-N 1 0 387.463 1.749 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575905709 950298854 /nfs/dbraw/zinc/29/88/54/950298854.db2.gz DMBBPFFBVQIGGA-BMIGLBTASA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cncn1C ZINC001575906061 950309702 /nfs/dbraw/zinc/30/97/02/950309702.db2.gz GMMNKVHRCZOIDF-ABAIWWIYSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C2CC2)C1 ZINC001576193911 950317665 /nfs/dbraw/zinc/31/76/65/950317665.db2.gz VZRYQNFQMCQBAI-BBRMVZONSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cnccn1 ZINC001575906890 950320508 /nfs/dbraw/zinc/32/05/08/950320508.db2.gz KJSCEFZEDTYENN-NHYWBVRUSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CCOC1CCCCCC1 ZINC001574988249 950328633 /nfs/dbraw/zinc/32/86/33/950328633.db2.gz PHGWXJVHSDINOD-AWEZNQCLSA-N 1 0 389.504 1.984 20 0 GDADRO C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1ccnc1 ZINC001574501483 950337610 /nfs/dbraw/zinc/33/76/10/950337610.db2.gz DRMXZHBVCXHTAW-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](CC(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1)c1cccc(F)c1 ZINC001574501966 950350409 /nfs/dbraw/zinc/35/04/09/950350409.db2.gz HZUAMZHNUREBMK-ZDUSSCGKSA-N 1 0 383.431 1.935 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)n1ccnc1 ZINC001574502149 950360611 /nfs/dbraw/zinc/36/06/11/950360611.db2.gz JRWNVGDFTUSAGH-GDBMZVCRSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cnn(C)c1 ZINC001575908333 950361983 /nfs/dbraw/zinc/36/19/83/950361983.db2.gz USFAHFKNNJHOQN-BZNIZROVSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H](CC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574502386 950375962 /nfs/dbraw/zinc/37/59/62/950375962.db2.gz MPMRGIHIOBPNGW-KGLIPLIRSA-N 1 0 381.440 1.991 20 0 GDADRO CC(C)C[C@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574162523 950384547 /nfs/dbraw/zinc/38/45/47/950384547.db2.gz CFUNVLXPNPSWOB-CYBMUJFWSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cnc(Cl)s1 ZINC001574746689 950394159 /nfs/dbraw/zinc/39/41/59/950394159.db2.gz OIHLPQSOISNMFH-QMMMGPOBSA-N 1 0 380.865 1.555 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cc(Cl)no1 ZINC001575909492 950397923 /nfs/dbraw/zinc/39/79/23/950397923.db2.gz GPTYXDAZPPKDRM-MFKMUULPSA-N 1 0 387.831 1.901 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)c2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001576198332 950402288 /nfs/dbraw/zinc/40/22/88/950402288.db2.gz RXTMMMOHTBOOON-ZDUSSCGKSA-N 1 0 390.467 1.027 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC001574991826 950423756 /nfs/dbraw/zinc/42/37/56/950423756.db2.gz SIBTYQUXTJFFRS-CYBMUJFWSA-N 1 0 382.472 1.511 20 0 GDADRO CC(C)CC1(C(=O)N(C)C[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001574163343 950424069 /nfs/dbraw/zinc/42/40/69/950424069.db2.gz SBLHCAQJWBPQIN-AWEZNQCLSA-N 1 0 387.488 1.131 20 0 GDADRO C[C@H](CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574504015 950424482 /nfs/dbraw/zinc/42/44/82/950424482.db2.gz ZHEWYVUEVJJOLV-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203256 950438408 /nfs/dbraw/zinc/43/84/08/950438408.db2.gz FUBFDCBSXHWNHN-ZFWWWQNUSA-N 1 0 387.463 1.038 20 0 GDADRO CC(C)C[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574163825 950438590 /nfs/dbraw/zinc/43/85/90/950438590.db2.gz YXCATHPODPYUBX-ZFWWWQNUSA-N 1 0 389.508 1.186 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1ccncn1 ZINC001575911207 950438696 /nfs/dbraw/zinc/43/86/96/950438696.db2.gz NIDNBWZWHYFIIR-RDTXWAMCSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(Cl)n2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575911249 950442710 /nfs/dbraw/zinc/44/27/10/950442710.db2.gz OEPMTWIIRQYWAM-GXFFZTMASA-N 1 0 386.847 1.636 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576203780 950449322 /nfs/dbraw/zinc/44/93/22/950449322.db2.gz JJBBFRRDOBAFOX-UONOGXRCSA-N 1 0 387.463 1.433 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001574993588 950464052 /nfs/dbraw/zinc/46/40/52/950464052.db2.gz LIMULOLFVOFZLO-ZJUUUORDSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC2(CNc3ccc(-c4nn[nH]n4)cn3)CCCC2)C1 ZINC001576204369 950464948 /nfs/dbraw/zinc/46/49/48/950464948.db2.gz OTNKKAZEDYAXRY-AWEZNQCLSA-N 1 0 384.488 1.444 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ccccc1O ZINC001575912916 950470086 /nfs/dbraw/zinc/47/00/86/950470086.db2.gz RNGJHTHDWOZSFX-SUMWQHHRSA-N 1 0 378.436 1.965 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574752196 950477681 /nfs/dbraw/zinc/47/76/81/950477681.db2.gz VLXITZCYHQAARQ-CYBMUJFWSA-N 1 0 379.468 1.934 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573866745 950509732 /nfs/dbraw/zinc/50/97/32/950509732.db2.gz KUSVOKBNPURHHC-CQSZACIVSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001576205387 950512536 /nfs/dbraw/zinc/51/25/36/950512536.db2.gz IITBTVKDNXWVSY-GOEBONIOSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574509724 950524930 /nfs/dbraw/zinc/52/49/30/950524930.db2.gz WKFACSJIMGHKNZ-AWEZNQCLSA-N 1 0 382.472 1.342 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573867260 950525090 /nfs/dbraw/zinc/52/50/90/950525090.db2.gz SDNLZWHJGPEYTL-OAHLLOKOSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753551 950531758 /nfs/dbraw/zinc/53/17/58/950531758.db2.gz PBILSJUZIGZSLM-CYBMUJFWSA-N 1 0 380.456 1.322 20 0 GDADRO C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576205717 950535168 /nfs/dbraw/zinc/53/51/68/950535168.db2.gz NKPCRQGMBHGKBN-ZDUSSCGKSA-N 1 0 375.452 1.654 20 0 GDADRO CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576206132 950561915 /nfs/dbraw/zinc/56/19/15/950561915.db2.gz UZWGAVZXLZJBRQ-XJKSGUPXSA-N 1 0 389.479 1.900 20 0 GDADRO CC1CC[NH+](CC(=O)NCCN(c2ccc(-c3nn[nH]n3)cn2)C2CC2)CC1 ZINC001576207402 950594147 /nfs/dbraw/zinc/59/41/47/950594147.db2.gz HFBHVCRGGBRIAF-UHFFFAOYSA-N 1 0 384.488 1.079 20 0 GDADRO CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575617273 950600636 /nfs/dbraw/zinc/60/06/36/950600636.db2.gz ZHAJWKYDHSZIHE-AWEZNQCLSA-N 1 0 386.500 1.506 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573870594 950602180 /nfs/dbraw/zinc/60/21/80/950602180.db2.gz JRIOUAHDNKPMEZ-MRXNPFEDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575000531 950609011 /nfs/dbraw/zinc/60/90/11/950609011.db2.gz FFHFWURAFPTBLM-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCCO1 ZINC001574515682 950627124 /nfs/dbraw/zinc/62/71/24/950627124.db2.gz DKCJAMQEMCHFMP-ZSGPHXLJSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccns1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574759242 950630082 /nfs/dbraw/zinc/63/00/82/950630082.db2.gz AGTBEEUSDYRCMT-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573872903 950633079 /nfs/dbraw/zinc/63/30/79/950633079.db2.gz AMULMIZFNUJALZ-HDJSIYSDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CNC(=O)c1cc(F)c[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575001469 950633123 /nfs/dbraw/zinc/63/31/23/950633123.db2.gz KZSPNCNBHLRCJQ-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575001864 950640367 /nfs/dbraw/zinc/64/03/67/950640367.db2.gz NQSIIJARNFNEDI-CYBMUJFWSA-N 1 0 379.468 1.982 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1CCCO1 ZINC001574517860 950650275 /nfs/dbraw/zinc/65/02/75/950650275.db2.gz MNGASIBYPMLRPL-RMRHIDDWSA-N 1 0 390.513 1.870 20 0 GDADRO CC[NH+]1CCN(CCC[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1 ZINC001589744414 950652970 /nfs/dbraw/zinc/65/29/70/950652970.db2.gz OVYNNIRIBYLRNR-QGZVFWFLSA-N 1 0 378.517 1.698 20 0 GDADRO C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575002253 950653751 /nfs/dbraw/zinc/65/37/51/950653751.db2.gz QTUCNQDFVJGMAA-LLVKDONJSA-N 1 0 383.431 1.731 20 0 GDADRO C[C@H](CN(C)C(=O)c1cccc2nc[nH]c21)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574760138 950654595 /nfs/dbraw/zinc/65/45/95/950654595.db2.gz UASOOJSFUHCEAS-CYBMUJFWSA-N 1 0 390.451 1.993 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](C(=O)[O-])[C@H](C)C3)cc2)CC1 ZINC001589744561 950659378 /nfs/dbraw/zinc/65/93/78/950659378.db2.gz SEOBRHXQESSZJH-VQIMIIECSA-N 1 0 388.512 1.810 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccsn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574760883 950683333 /nfs/dbraw/zinc/68/33/33/950683333.db2.gz NQUDKMJRHZACOK-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001575625659 950693042 /nfs/dbraw/zinc/69/30/42/950693042.db2.gz UDVHGFFQKHYGFO-NHAGDIPZSA-N 1 0 381.484 1.885 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575925728 950693773 /nfs/dbraw/zinc/69/37/73/950693773.db2.gz IEBRBFSXJAGHJO-MEBBXXQBSA-N 1 0 385.378 1.677 20 0 GDADRO CC1(C)CC(C(=O)N2CCCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001575625763 950695622 /nfs/dbraw/zinc/69/56/22/950695622.db2.gz WAFNAVJFCGJDQL-CQSZACIVSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCCC2 ZINC001575927132 950735376 /nfs/dbraw/zinc/73/53/76/950735376.db2.gz NRPKOPQTFBLBOU-WFASDCNBSA-N 1 0 392.467 1.606 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnn(C(F)F)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574763989 950738225 /nfs/dbraw/zinc/73/82/25/950738225.db2.gz OLGATWAMRNYWMV-NSHDSACASA-N 1 0 390.398 1.709 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575927618 950747160 /nfs/dbraw/zinc/74/71/60/950747160.db2.gz QWPMZZNISOOACJ-LRDDRELGSA-N 1 0 390.451 1.671 20 0 GDADRO C[C@@H](CN(C)C(=O)c1nccs1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574765102 950774563 /nfs/dbraw/zinc/77/45/63/950774563.db2.gz DXFKXSKMTNCXNU-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1cccn1 ZINC001574521422 950779022 /nfs/dbraw/zinc/77/90/22/950779022.db2.gz GCEQMVNEWVXALA-CHWSQXEVSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H]1CN(C(=O)C(F)F)C[C@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)O1 ZINC001576218998 950798178 /nfs/dbraw/zinc/79/81/78/950798178.db2.gz NGFNIEVACJWVBE-KPZWWZAWSA-N 1 0 392.410 1.324 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCc1cn[nH]n1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574522818 950798970 /nfs/dbraw/zinc/79/89/70/950798970.db2.gz LDBBNVAUORAAAW-MNOVXSKESA-N 1 0 389.489 1.052 20 0 GDADRO C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[nH]n3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575931526 950809899 /nfs/dbraw/zinc/80/98/99/950809899.db2.gz IKWSRUSMWJQINX-RKDXNWHRSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1cccc2cccnc21 ZINC001575010162 950813570 /nfs/dbraw/zinc/81/35/70/950813570.db2.gz BLTUXKIAAIBTIU-CYBMUJFWSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCn1ccnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574523680 950824003 /nfs/dbraw/zinc/82/40/03/950824003.db2.gz PFZMAEIHDBQAGL-CABCVRRESA-N 1 0 382.472 1.526 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CC1OCCCO1 ZINC001574523679 950824261 /nfs/dbraw/zinc/82/42/61/950824261.db2.gz PDODMTWBDCVURE-ZIAGYGMSSA-N 1 0 388.472 1.393 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1ccc[nH]1 ZINC001574523824 950834643 /nfs/dbraw/zinc/83/46/43/950834643.db2.gz QWCDBIKUTWNALN-CHWSQXEVSA-N 1 0 385.447 1.950 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH]cn1 ZINC001574523902 950843152 /nfs/dbraw/zinc/84/31/52/950843152.db2.gz RXSIHOXRXJLWPG-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574767595 950858617 /nfs/dbraw/zinc/85/86/17/950858617.db2.gz SMHQKBJKGGTGPN-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H]1CN(C(=O)C(F)F)CC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576221664 950859749 /nfs/dbraw/zinc/85/97/49/950859749.db2.gz VWKQVKZJAXOMJZ-ZYHUDNBSSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CC1(O)CCC1 ZINC001574524815 950872875 /nfs/dbraw/zinc/87/28/75/950872875.db2.gz ZKNZQAIPPZIUKU-STQMWFEESA-N 1 0 390.463 1.684 20 0 GDADRO C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576225944 950877232 /nfs/dbraw/zinc/87/72/32/950877232.db2.gz ACTFLUMXKWGXPN-XHDPSFHLSA-N 1 0 391.426 1.768 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cn(C)cn1 ZINC001574527533 950890765 /nfs/dbraw/zinc/89/07/65/950890765.db2.gz CZBTVKUBZAKJNN-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)(C)n1cc(C[NH2+]CC=CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC001573893907 950909685 /nfs/dbraw/zinc/90/96/85/950909685.db2.gz BKRVTFPODYEZOX-SNAWJCMRSA-N 1 0 383.460 1.222 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ncccn1 ZINC001574528041 950923601 /nfs/dbraw/zinc/92/36/01/950923601.db2.gz KCVIDZKJMUDIDN-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[N@H+](C)CCOc1ccc(F)cc1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771537 950928471 /nfs/dbraw/zinc/92/84/71/950928471.db2.gz FYQKJQGHGOPZGF-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1n[nH]cc1F ZINC001574528130 950929501 /nfs/dbraw/zinc/92/95/01/950929501.db2.gz LLRTUMBWOFGXNJ-IUCAKERBSA-N 1 0 378.437 1.477 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnccn1 ZINC001574528614 950937026 /nfs/dbraw/zinc/93/70/26/950937026.db2.gz NQHLLMVXGZRAGC-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575642415 950943642 /nfs/dbraw/zinc/94/36/42/950943642.db2.gz GPSMAHAFGHMOCC-IRXDYDNUSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](C[N@H+](C)CCc1c(F)cccc1F)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574771836 950944323 /nfs/dbraw/zinc/94/43/23/950944323.db2.gz LBXMOIOULDUJRY-NSHDSACASA-N 1 0 389.410 1.766 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCC1CCOCC1 ZINC001574529009 950944985 /nfs/dbraw/zinc/94/49/85/950944985.db2.gz PBQLQMYGUFSBAU-OLZOCXBDSA-N 1 0 375.477 1.498 20 0 GDADRO C[C@@H](C[N@H+](C)CCCC1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574772345 950971167 /nfs/dbraw/zinc/97/11/67/950971167.db2.gz RTUXOYYGINTQMF-ZDUSSCGKSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ncccc1O ZINC001574530255 950974419 /nfs/dbraw/zinc/97/44/19/950974419.db2.gz ULFFDHOIIWMHOU-STQMWFEESA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccsn1 ZINC001574774607 951007157 /nfs/dbraw/zinc/00/71/57/951007157.db2.gz DSUIXSCOYSSOHG-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575023743 951081855 /nfs/dbraw/zinc/08/18/55/951081855.db2.gz PDGALNHAWRDSEL-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Cl)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575023816 951082852 /nfs/dbraw/zinc/08/28/52/951082852.db2.gz PWDAJRWDOYPPGB-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575023997 951088633 /nfs/dbraw/zinc/08/86/33/951088633.db2.gz UQRUZLMDBUVUTB-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)CCO2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575024729 951112785 /nfs/dbraw/zinc/11/27/85/951112785.db2.gz LOWVAYLRBVWJNR-CYBMUJFWSA-N 1 0 378.436 1.710 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(=O)[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575026217 951141589 /nfs/dbraw/zinc/14/15/89/951141589.db2.gz GTRCATPOAXGCMP-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CNC(=O)c1ccccc1O)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575026998 951150728 /nfs/dbraw/zinc/15/07/28/951150728.db2.gz BXVUHGOKCPJTLM-LBPRGKRZSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1ccn(C(F)F)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575036261 951292414 /nfs/dbraw/zinc/29/24/14/951292414.db2.gz QHKUPUHDNUPKHF-JTQLQIEISA-N 1 0 376.371 1.366 20 0 GDADRO C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575036470 951294291 /nfs/dbraw/zinc/29/42/91/951294291.db2.gz SLWCUTDBMJSCJO-GFCCVEGCSA-N 1 0 383.460 1.113 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575042289 951360407 /nfs/dbraw/zinc/36/04/07/951360407.db2.gz HZKQIWPEVBKCDT-MRVPVSSYSA-N 1 0 380.865 1.223 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575042290 951361088 /nfs/dbraw/zinc/36/10/88/951361088.db2.gz HZKQIWPEVBKCDT-QMMMGPOBSA-N 1 0 380.865 1.223 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(Cl)n1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575044827 951420177 /nfs/dbraw/zinc/42/01/77/951420177.db2.gz VRQFKFACKXRZTI-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575045817 951433610 /nfs/dbraw/zinc/43/36/10/951433610.db2.gz INBXKILQVFBTDM-LLVKDONJSA-N 1 0 384.419 1.057 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cn1 ZINC001575053124 951473407 /nfs/dbraw/zinc/47/34/07/951473407.db2.gz QWVUGMPLLMOSAU-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575053314 951478942 /nfs/dbraw/zinc/47/89/42/951478942.db2.gz SHGIAIMDSBAKSU-LBPRGKRZSA-N 1 0 381.444 1.123 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1C(F)F)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575054204 951489249 /nfs/dbraw/zinc/48/92/49/951489249.db2.gz XKPXPOMATFWLHB-SNVBAGLBSA-N 1 0 390.398 1.446 20 0 GDADRO C[C@@H](CNC(=O)c1cnoc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575055413 951505822 /nfs/dbraw/zinc/50/58/22/951505822.db2.gz SRIKWPMKVIXSAL-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C2CCC2)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575059285 951539787 /nfs/dbraw/zinc/53/97/87/951539787.db2.gz YUHKEWSCJYYUED-LLVKDONJSA-N 1 0 382.428 1.417 20 0 GDADRO C[C@@H](CNC(=O)c1csc(Cl)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575062153 951567005 /nfs/dbraw/zinc/56/70/05/951567005.db2.gz USVQMENRHOGRPT-ZETCQYMHSA-N 1 0 383.890 1.946 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C(F)F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575066875 951600499 /nfs/dbraw/zinc/60/04/99/951600499.db2.gz NFBFBEVTDYHTQA-QMMMGPOBSA-N 1 0 378.343 1.442 20 0 GDADRO C[C@H](CNC(=O)c1occ2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067754 951620491 /nfs/dbraw/zinc/62/04/91/951620491.db2.gz XTOOGPLRFLISQD-LLVKDONJSA-N 1 0 384.415 1.996 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C(F)F)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067760 951621074 /nfs/dbraw/zinc/62/10/74/951621074.db2.gz XWAUHHPIAFHXRO-SECBINFHSA-N 1 0 377.355 1.700 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077367 951668207 /nfs/dbraw/zinc/66/82/07/951668207.db2.gz GFTZILMUZAKGRC-OLZOCXBDSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077607 951672576 /nfs/dbraw/zinc/67/25/76/951672576.db2.gz HBTNIGKTTYBGTF-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](CNC(=O)c1ccccc1O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077846 951674854 /nfs/dbraw/zinc/67/48/54/951674854.db2.gz IUEUWAVHOXIRNL-GFCCVEGCSA-N 1 0 384.415 1.867 20 0 GDADRO C[C@H](CNC(=O)[C@]1(C)CCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078029 951677210 /nfs/dbraw/zinc/67/72/10/951677210.db2.gz JISYXYAZGBMJGT-KPZWWZAWSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)COC1CCCC1 ZINC001575078456 951681146 /nfs/dbraw/zinc/68/11/46/951681146.db2.gz LTABNBOBLZYLDB-CYBMUJFWSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)CC1CCOCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078904 951685352 /nfs/dbraw/zinc/68/53/52/951685352.db2.gz NUWXKRLZUPQQLE-ZDUSSCGKSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078871 951686255 /nfs/dbraw/zinc/68/62/55/951686255.db2.gz AUXRSEMYRRZVQO-MDRZDLKXSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@@H](CNC(=O)[C@]1(C)CCCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079274 951690177 /nfs/dbraw/zinc/69/01/77/951690177.db2.gz MYKSLRJPUJNLSR-BFUOFWGJSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575079327 951690196 /nfs/dbraw/zinc/69/01/96/951690196.db2.gz CXBVHQDSDHGGAU-APPDUMDISA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@H](CNC(=O)c1nccs1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079355 951690625 /nfs/dbraw/zinc/69/06/25/951690625.db2.gz DBURCRNHJGDFBL-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CCn1cccc1 ZINC001575079851 951698345 /nfs/dbraw/zinc/69/83/45/951698345.db2.gz HKJYFQLDUHGHIC-CQSZACIVSA-N 1 0 385.447 1.834 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080406 951707526 /nfs/dbraw/zinc/70/75/26/951707526.db2.gz LATLDAKLIINFQQ-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@H](CNC(=O)c1ccns1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 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ZINC001575100239 951845240 /nfs/dbraw/zinc/84/52/40/951845240.db2.gz SFBJYMGTADMQSB-SNVBAGLBSA-N 1 0 386.485 1.296 20 0 GDADRO C[C@@H](CNC(=O)CCn1ccnc1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101211 951855288 /nfs/dbraw/zinc/85/52/88/951855288.db2.gz AYTGCYQTLBKYND-CYBMUJFWSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@@H](CNC(=O)c1cnns1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101337 951857810 /nfs/dbraw/zinc/85/78/10/951857810.db2.gz BRJIHZPYSGKWKH-SECBINFHSA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575101373 951858220 /nfs/dbraw/zinc/85/82/20/951858220.db2.gz CIQNFPCMNFBNRK-GTNSWQLSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1ccc(F)cn1 ZINC001575101675 951861611 /nfs/dbraw/zinc/86/16/11/951861611.db2.gz IHPQQFMOKIIJJX-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1ccccc1O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101966 951865791 /nfs/dbraw/zinc/86/57/91/951865791.db2.gz 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C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575207250 952533066 /nfs/dbraw/zinc/53/30/66/952533066.db2.gz PQNPAVOGOJJGHA-KGLIPLIRSA-N 1 0 382.472 1.073 20 0 GDADRO O=C(N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[C@@H]1C[C@H]1c1ccco1 ZINC001571124701 952542227 /nfs/dbraw/zinc/54/22/27/952542227.db2.gz RNUACVPJMXTXLF-WRHHYAMVSA-N 1 0 377.408 1.209 20 0 GDADRO CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001571124832 952545427 /nfs/dbraw/zinc/54/54/27/952545427.db2.gz VZDCHNYULSWLGQ-CYBMUJFWSA-N 1 0 377.399 1.734 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575214060 952561383 /nfs/dbraw/zinc/56/13/83/952561383.db2.gz GMNWSJWAEXANGN-SECBINFHSA-N 1 0 388.444 1.176 20 0 GDADRO CC(F)(F)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575214325 952562950 /nfs/dbraw/zinc/56/29/50/952562950.db2.gz WTPSWXBBQRREAD-GJZGRUSLSA-N 1 0 376.411 1.945 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575214418 952563485 /nfs/dbraw/zinc/56/34/85/952563485.db2.gz KPHVDAFZALDPPA-XYPYZODXSA-N 1 0 379.415 1.672 20 0 GDADRO C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC001571128490 952568412 /nfs/dbraw/zinc/56/84/12/952568412.db2.gz UUNXOWUDWDMYOM-PZPSRYQVSA-N 1 0 377.452 1.932 20 0 GDADRO COC(=O)CC[N@H+](CC(C)C)C[C@@H](O)COc1ccccc1-c1nn[nH]n1 ZINC001571128763 952569744 /nfs/dbraw/zinc/56/97/44/952569744.db2.gz WJIHUIMUZJZNMQ-CQSZACIVSA-N 1 0 377.445 1.128 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571134611 952593100 /nfs/dbraw/zinc/59/31/00/952593100.db2.gz HZHGXYIGRJWQJW-UHFFFAOYSA-N 1 0 378.440 1.246 20 0 GDADRO CN(C(=O)c1cccnn1)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571135596 952605735 /nfs/dbraw/zinc/60/57/35/952605735.db2.gz YHVALQDPNMDPDI-UHFFFAOYSA-N 1 0 378.440 1.393 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnccn2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135562 952606076 /nfs/dbraw/zinc/60/60/76/952606076.db2.gz WTYCWPJSYNCKPG-CZUORRHYSA-N 1 0 378.440 1.297 20 0 GDADRO CN(C(=O)c1cccc(=O)[nH]1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571140455 952625940 /nfs/dbraw/zinc/62/59/40/952625940.db2.gz CUZCLBCBKQSFJX-OAHLLOKOSA-N 1 0 379.424 1.314 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC001571140475 952626037 /nfs/dbraw/zinc/62/60/37/952626037.db2.gz AFXAPSHXIIUMQE-LJQANCHMSA-N 1 0 378.440 1.328 20 0 GDADRO O=C(NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC001571140787 952628629 /nfs/dbraw/zinc/62/86/29/952628629.db2.gz GMXHRWRJRQAEJY-AAVRWANBSA-N 1 0 379.424 1.387 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1coc(C2CC2)n1 ZINC001571141295 952632520 /nfs/dbraw/zinc/63/25/20/952632520.db2.gz JRSVXDSPOSYQGV-OAHLLOKOSA-N 1 0 379.424 1.736 20 0 GDADRO CS[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571141953 952637789 /nfs/dbraw/zinc/63/77/89/952637789.db2.gz LPTVKGFXOAEBGL-DGCLKSJQSA-N 1 0 378.477 1.695 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)c2cccc(-c3nn[nH]n3)c2Br)CC[NH2+]1 ZINC001571141977 952638110 /nfs/dbraw/zinc/63/81/10/952638110.db2.gz MGCXVAFZFAVKNZ-LBPRGKRZSA-N 1 0 379.262 1.699 20 0 GDADRO C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571142375 952641074 /nfs/dbraw/zinc/64/10/74/952641074.db2.gz SGWQGLLYIKGINR-CQSZACIVSA-N 1 0 379.424 1.314 20 0 GDADRO Cc1cc(N2CCOC[C@@H]2CNC(=O)c2ccccc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571142651 952644935 /nfs/dbraw/zinc/64/49/35/952644935.db2.gz ZOCZJKNWCWOQHB-HNNXBMFYSA-N 1 0 379.424 1.205 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cnc(Cl)s2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571142810 952646801 /nfs/dbraw/zinc/64/68/01/952646801.db2.gz ZNMQEXGRKTVJGZ-ZKCHVHJHSA-N 1 0 378.849 1.355 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)CCn1cccc1 ZINC001571150838 952670681 /nfs/dbraw/zinc/67/06/81/952670681.db2.gz GZQHUMMISVBDGY-YJBOKZPZSA-N 1 0 379.468 1.838 20 0 GDADRO O=C(NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571150989 952671302 /nfs/dbraw/zinc/67/13/02/952671302.db2.gz IPAHWYYPUZVOFM-VUIZKAPNSA-N 1 0 379.468 1.282 20 0 GDADRO Cc1ccn(C)c1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571151157 952673863 /nfs/dbraw/zinc/67/38/63/952673863.db2.gz MTYINZDDGSHSSL-INIZCTEOSA-N 1 0 379.468 1.766 20 0 GDADRO O=C(N[C@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2)C1CC2(CC2)C1 ZINC001571151613 952676754 /nfs/dbraw/zinc/67/67/54/952676754.db2.gz RTISRVAKXBLOPA-INIZCTEOSA-N 1 0 379.468 1.927 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001571151773 952679339 /nfs/dbraw/zinc/67/93/39/952679339.db2.gz XEIQTYMHLMWKKN-RVKKMQEKSA-N 1 0 379.468 1.866 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@H]1C[C@@H]1C(F)F ZINC001571152916 952683577 /nfs/dbraw/zinc/68/35/77/952683577.db2.gz LARYLEOZUOFUTK-CYDGBPFRSA-N 1 0 380.374 1.644 20 0 GDADRO O=C([C@H]1C[C@@H]1C(F)F)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571153904 952688291 /nfs/dbraw/zinc/68/82/91/952688291.db2.gz VBJICYSSCWYBPC-DRZSPHRISA-N 1 0 380.374 1.598 20 0 GDADRO CC1(NC(=O)c2cccc(=O)[nH]2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571155691 952699016 /nfs/dbraw/zinc/69/90/16/952699016.db2.gz XUVRXVXMYOYTCX-UHFFFAOYSA-N 1 0 380.412 1.151 20 0 GDADRO Cc1cn(-c2ccc(-c3nn[nH]n3)cn2)nc1NC(=O)C12CCC[NH+]1CCC2 ZINC001571157985 952709392 /nfs/dbraw/zinc/70/93/92/952709392.db2.gz PMNHWGUXBQUFNJ-UHFFFAOYSA-N 1 0 379.428 1.323 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CC1(F)F ZINC001571165280 952750059 /nfs/dbraw/zinc/75/00/59/952750059.db2.gz ASTYXALTTVFZEC-YJQGPUDQSA-N 1 0 380.424 1.805 20 0 GDADRO O=C(N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@]1(F)CCOC1 ZINC001571165445 952750556 /nfs/dbraw/zinc/75/05/56/952750556.db2.gz DGFBYHJCVNEXHB-ZBEGNZNMSA-N 1 0 380.449 1.137 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1c[nH]cn1 ZINC001571165627 952753666 /nfs/dbraw/zinc/75/36/66/952753666.db2.gz GZEWKFRRKAJBMA-DYVFJYSZSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC001571166237 952760150 /nfs/dbraw/zinc/76/01/50/952760150.db2.gz KLGSGXFWLSJSRS-CZUORRHYSA-N 1 0 380.456 1.241 20 0 GDADRO CC[C@@H]1CN(C(=O)c2ncc[nH]2)CC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571166508 952761414 /nfs/dbraw/zinc/76/14/14/952761414.db2.gz MOWBEIVARZWIGB-CZUORRHYSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cn1ccnc1 ZINC001571167101 952770044 /nfs/dbraw/zinc/77/00/44/952770044.db2.gz VSCNRQYISKLZMP-GDBMZVCRSA-N 1 0 380.456 1.233 20 0 GDADRO CCc1c(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cnn1C ZINC001571167180 952771868 /nfs/dbraw/zinc/77/18/68/952771868.db2.gz XPKJCHDOTWSLJW-HNNXBMFYSA-N 1 0 380.456 1.167 20 0 GDADRO Cc1cccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571169375 952772933 /nfs/dbraw/zinc/77/29/33/952772933.db2.gz AVDZQXXLWVOTNY-KGLIPLIRSA-N 1 0 380.456 1.587 20 0 GDADRO CCn1cccc1C(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571169649 952777033 /nfs/dbraw/zinc/77/70/33/952777033.db2.gz JLSNNNYRMGUUIF-UKRRQHHQSA-N 1 0 380.456 1.516 20 0 GDADRO Cc1cncn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001571169711 952777119 /nfs/dbraw/zinc/77/71/19/952777119.db2.gz KYUFARUWESFUSW-CXAGYDPISA-N 1 0 380.456 1.008 20 0 GDADRO CCn1ccc(C(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)n1 ZINC001571169855 952779060 /nfs/dbraw/zinc/77/90/60/952779060.db2.gz PFXZDSMKWJGJLU-BBRMVZONSA-N 1 0 380.456 1.476 20 0 GDADRO Cc1ccnn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170073 952782749 /nfs/dbraw/zinc/78/27/49/952782749.db2.gz SCVZYAZPYHKVOO-CXAGYDPISA-N 1 0 380.456 1.008 20 0 GDADRO Cn1ccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571171956 952799151 /nfs/dbraw/zinc/79/91/51/952799151.db2.gz JWIRKDXYKRTFTD-ZBFHGGJFSA-N 1 0 380.456 1.289 20 0 GDADRO Cc1nccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172556 952808607 /nfs/dbraw/zinc/80/86/07/952808607.db2.gz XBVIRPFTLKMMFK-MRXNPFEDSA-N 1 0 380.456 1.105 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccccn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571178232 952837281 /nfs/dbraw/zinc/83/72/81/952837281.db2.gz CDISHFBBHTWOAE-PXAZEXFGSA-N 1 0 381.415 1.651 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccccn1 ZINC001571178335 952839012 /nfs/dbraw/zinc/83/90/12/952839012.db2.gz GDPJMLYQXQZJIX-LRDDRELGSA-N 1 0 381.415 1.794 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC001571178933 952850235 /nfs/dbraw/zinc/85/02/35/952850235.db2.gz YLQMICGHRPRMLY-KRWDZBQOSA-N 1 0 381.415 1.747 20 0 GDADRO Cc1cc(CC(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@H]2C)no1 ZINC001571179231 952850288 /nfs/dbraw/zinc/85/02/88/952850288.db2.gz AGZZDFSNFTTXIH-MLGOLLRUSA-N 1 0 381.440 1.485 20 0 GDADRO Cc1cnoc1C(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571179314 952851923 /nfs/dbraw/zinc/85/19/23/952851923.db2.gz BFEAQZQGNYGHMK-ZBFHGGJFSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1ncc(CC(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC001571179634 952855188 /nfs/dbraw/zinc/85/51/88/952855188.db2.gz HUWNYKDYEBDZJF-PXAZEXFGSA-N 1 0 381.440 1.342 20 0 GDADRO Cc1ncoc1C(=O)N[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001571179898 952855734 /nfs/dbraw/zinc/85/57/34/952855734.db2.gz JPTSIUPDAYSDET-HNNXBMFYSA-N 1 0 381.440 1.804 20 0 GDADRO Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)c1 ZINC001571179915 952856501 /nfs/dbraw/zinc/85/65/01/952856501.db2.gz KFKBSGHSXSONEF-HNNXBMFYSA-N 1 0 381.440 1.134 20 0 GDADRO O=C(Cc1cnoc1)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571179938 952858046 /nfs/dbraw/zinc/85/80/46/952858046.db2.gz KRGFLKPNIFFZPG-QGZVFWFLSA-N 1 0 381.440 1.568 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC001571180228 952858619 /nfs/dbraw/zinc/85/86/19/952858619.db2.gz MUJPMBVIMDULPY-INIZCTEOSA-N 1 0 381.440 1.900 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001571180490 952859889 /nfs/dbraw/zinc/85/98/89/952859889.db2.gz PSQWAVSOCBFIQR-OAHLLOKOSA-N 1 0 381.440 1.082 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C)o1 ZINC001571181005 952861623 /nfs/dbraw/zinc/86/16/23/952861623.db2.gz SVBPZTUOSWCLQV-YVEFUNNKSA-N 1 0 381.440 1.485 20 0 GDADRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571182790 952868813 /nfs/dbraw/zinc/86/88/13/952868813.db2.gz FTGKSEFZMOEGCH-HOCLYGCPSA-N 1 0 381.440 1.699 20 0 GDADRO COc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1C ZINC001571182927 952871258 /nfs/dbraw/zinc/87/12/58/952871258.db2.gz JYJCKRMKRFAYGE-HNNXBMFYSA-N 1 0 381.440 1.516 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571183094 952872696 /nfs/dbraw/zinc/87/26/96/952872696.db2.gz OFLXLHDCIJVCGX-QKDCVEJESA-N 1 0 381.415 1.442 20 0 GDADRO CCc1nc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571183103 952872987 /nfs/dbraw/zinc/87/29/87/952872987.db2.gz OOFJJNIGNWZXQJ-OAHLLOKOSA-N 1 0 381.440 1.764 20 0 GDADRO COc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cc1 ZINC001571183271 952875649 /nfs/dbraw/zinc/87/56/49/952875649.db2.gz VATCRDXYCXLFFW-HDJSIYSDSA-N 1 0 381.440 1.297 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)c1ncccn1 ZINC001571183850 952884602 /nfs/dbraw/zinc/88/46/02/952884602.db2.gz KWNNUQHWHLONSM-MBNYWOFBSA-N 1 0 381.444 1.234 20 0 GDADRO CCc1cc(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571183957 952886222 /nfs/dbraw/zinc/88/62/22/952886222.db2.gz NJJOJBMTLATLCM-CYBMUJFWSA-N 1 0 381.444 1.254 20 0 GDADRO Cc1n[nH]cc1C(=O)NC1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571187897 952910081 /nfs/dbraw/zinc/91/00/81/952910081.db2.gz CNKBWCZVEBZMSU-UHFFFAOYSA-N 1 0 381.444 1.391 20 0 GDADRO C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571190792 952944490 /nfs/dbraw/zinc/94/44/90/952944490.db2.gz LZHPLZSKZVTRFJ-UJKGCTCZSA-N 1 0 381.484 1.983 20 0 GDADRO Cc1cc(NC[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571193145 952951363 /nfs/dbraw/zinc/95/13/63/952951363.db2.gz YTKJLZRDMJIQEB-QQQXPLKNSA-N 1 0 381.484 1.545 20 0 GDADRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC001571199728 953004463 /nfs/dbraw/zinc/00/44/63/953004463.db2.gz AJTSSXFZSWVNHF-UHFFFAOYSA-N 1 0 382.424 1.863 20 0 GDADRO Cc1nocc1C(=O)N1C[C@@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571201077 953013753 /nfs/dbraw/zinc/01/37/53/953013753.db2.gz JHGIQPYHYFDSSD-MFKMUULPSA-N 1 0 382.428 1.109 20 0 GDADRO Cc1ncoc1C(=O)N[C@@H]1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202663 953027540 /nfs/dbraw/zinc/02/75/40/953027540.db2.gz XCFFUGJBTQGOAJ-CHWSQXEVSA-N 1 0 382.428 1.299 20 0 GDADRO Cc1nocc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001571204614 953031271 /nfs/dbraw/zinc/03/12/71/953031271.db2.gz AMYJSCIWNCXSIX-CQDKDKBSSA-N 1 0 382.428 1.274 20 0 GDADRO Cc1ncoc1C(=O)N1CC[C@@H](C)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571204709 953032679 /nfs/dbraw/zinc/03/26/79/953032679.db2.gz CKEURCXGQYMYAH-YPMHNXCESA-N 1 0 382.428 1.333 20 0 GDADRO Cc1nonc1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001571207342 953062113 /nfs/dbraw/zinc/06/21/13/953062113.db2.gz YCIROGATSZAZLW-IAQYHMDHSA-N 1 0 382.428 1.341 20 0 GDADRO CO[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)C1(C2CC2)CC1 ZINC001571210190 953070189 /nfs/dbraw/zinc/07/01/89/953070189.db2.gz NRYINQQYQPFISG-IAGOWNOFSA-N 1 0 382.468 1.372 20 0 GDADRO C[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571210181 953070710 /nfs/dbraw/zinc/07/07/10/953070710.db2.gz NNSKZJFPRPZMEC-RHSMWYFYSA-N 1 0 382.468 1.745 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)[C@H]3CC34CC4)C2)cc1-c1nn[nH]n1 ZINC001571210209 953071359 /nfs/dbraw/zinc/07/13/59/953071359.db2.gz OLKJZEVYRNDBEP-BEFAXECRSA-N 1 0 382.468 1.756 20 0 GDADRO C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571210581 953073133 /nfs/dbraw/zinc/07/31/33/953073133.db2.gz SVTRVDSTTRGNDF-SKDRFNHKSA-N 1 0 382.440 1.910 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1-c1nn[nH]n1 ZINC001571210659 953073877 /nfs/dbraw/zinc/07/38/77/953073877.db2.gz VLFYKJXRWGLVQT-OIPACUDHSA-N 1 0 382.468 1.612 20 0 GDADRO CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571218282 953113759 /nfs/dbraw/zinc/11/37/59/953113759.db2.gz VFEDJVKGLYXUQV-ZYHUDNBSSA-N 1 0 383.378 1.531 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccon3)C2)cc1-c1nn[nH]n1 ZINC001571219933 953127918 /nfs/dbraw/zinc/12/79/18/953127918.db2.gz UDMOANIGANHDFG-DGCLKSJQSA-N 1 0 383.412 1.256 20 0 GDADRO Cn1cccc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571229542 953170589 /nfs/dbraw/zinc/17/05/89/953170589.db2.gz IEFUZAZUOZFRQR-OAHLLOKOSA-N 1 0 383.431 1.739 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CN1C(=O)c1cccn1C ZINC001571230121 953173549 /nfs/dbraw/zinc/17/35/49/953173549.db2.gz SAULSJFVOMWSIP-SWLSCSKDSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571230614 953178991 /nfs/dbraw/zinc/17/89/91/953178991.db2.gz YQULRHBAHKIHOZ-YVEFUNNKSA-N 1 0 383.431 1.513 20 0 GDADRO O=C(NC1(C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1)[C@H]1CCOC1 ZINC001571232709 953188312 /nfs/dbraw/zinc/18/83/12/953188312.db2.gz JMHOUVHPWHPJBC-ZDUSSCGKSA-N 1 0 383.456 1.163 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001571233505 953192875 /nfs/dbraw/zinc/19/28/75/953192875.db2.gz WUAAVFXASWIFOH-HNNXBMFYSA-N 1 0 383.460 1.367 20 0 GDADRO Cc1ncc(C(=O)NC2CC(C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)s1 ZINC001571234156 953199091 /nfs/dbraw/zinc/19/90/91/953199091.db2.gz OHKHKQCNJXJOCG-UHFFFAOYSA-N 1 0 383.481 1.930 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234124 953199224 /nfs/dbraw/zinc/19/92/24/953199224.db2.gz NUMVPDDFFPFORX-GOSISDBHSA-N 1 0 383.500 1.384 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)c2n[nH]cc2F)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571239615 953241278 /nfs/dbraw/zinc/24/12/78/953241278.db2.gz NZDZDRNGSHXZAJ-DGCLKSJQSA-N 1 0 384.419 1.512 20 0 GDADRO Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)n1 ZINC001571239693 953241740 /nfs/dbraw/zinc/24/17/40/953241740.db2.gz QDGZVSIGXUOMHN-CYBMUJFWSA-N 1 0 384.419 1.289 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001571240071 953245575 /nfs/dbraw/zinc/24/55/75/953245575.db2.gz YYQYCPFWNJTUJF-ZDUSSCGKSA-N 1 0 384.419 1.466 20 0 GDADRO O=C(N[C@H]1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571241712 953249148 /nfs/dbraw/zinc/24/91/48/953249148.db2.gz JMXWNLQIEFONJX-KBPBESRZSA-N 1 0 384.419 1.560 20 0 GDADRO Cn1cc(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)cn1 ZINC001571241972 953251296 /nfs/dbraw/zinc/25/12/96/953251296.db2.gz RKOZPEBXWVYNSG-UHFFFAOYSA-N 1 0 384.419 1.038 20 0 GDADRO CCc1noc(C)c1C[NH2+]C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571243063 953262624 /nfs/dbraw/zinc/26/26/24/953262624.db2.gz UZQKBPPWDZOUIM-UHFFFAOYSA-N 1 0 384.444 1.448 20 0 GDADRO Cc1nc(C(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)sc1C ZINC001571244704 953266455 /nfs/dbraw/zinc/26/64/55/953266455.db2.gz FRRJKBHDBWEEQA-HAQNSBGRSA-N 1 0 384.469 1.377 20 0 GDADRO Cc1ncc(C(=O)NC[C@H]2CCCN2c2cc(C)[nH+]cc2-c2nn[nH]n2)s1 ZINC001571245147 953270572 /nfs/dbraw/zinc/27/05/72/953270572.db2.gz OTCVNVMAQSSKDR-GFCCVEGCSA-N 1 0 384.469 1.734 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H]1CCCN1C(=O)c1ccncn1 ZINC001571245805 953277053 /nfs/dbraw/zinc/27/70/53/953277053.db2.gz ZDMGCKKYBPFSCI-LBPRGKRZSA-N 1 0 384.469 1.455 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C12CCC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571247670 953284153 /nfs/dbraw/zinc/28/41/53/953284153.db2.gz BXNYMCPWRGIHLC-KGLIPLIRSA-N 1 0 384.469 1.482 20 0 GDADRO CCOC1CC(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571247607 953284185 /nfs/dbraw/zinc/28/41/85/953284185.db2.gz AXNFFOGSOCWBQI-CGZBRXJRSA-N 1 0 384.484 1.715 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1csnn1 ZINC001571247945 953288124 /nfs/dbraw/zinc/28/81/24/953288124.db2.gz JBHJGHSEHQLLJP-ZIAGYGMSSA-N 1 0 384.469 1.549 20 0 GDADRO O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571247941 953288153 /nfs/dbraw/zinc/28/81/53/953288153.db2.gz JADAKISCGYTAMC-CYZMBNFOSA-N 1 0 384.469 1.146 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1csnn1 ZINC001571247944 953288392 /nfs/dbraw/zinc/28/83/92/953288392.db2.gz JBHJGHSEHQLLJP-UONOGXRCSA-N 1 0 384.469 1.549 20 0 GDADRO Cc1nnsc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571248371 953292328 /nfs/dbraw/zinc/29/23/28/953292328.db2.gz RWGJPJQICGSEBY-CYBMUJFWSA-N 1 0 384.469 1.421 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1)c1csnn1 ZINC001571248456 953293274 /nfs/dbraw/zinc/29/32/74/953293274.db2.gz UQBVCUUGBPSNBW-AWEZNQCLSA-N 1 0 384.469 1.503 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571248454 953293568 /nfs/dbraw/zinc/29/35/68/953293568.db2.gz UMKKPBCHAIUXGU-NJAFHUGGSA-N 1 0 384.484 1.762 20 0 GDADRO COC1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001571248476 953294222 /nfs/dbraw/zinc/29/42/22/953294222.db2.gz VJARUMXZSXYHOW-IIIMJFFVSA-N 1 0 384.484 1.762 20 0 GDADRO Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571248575 953295078 /nfs/dbraw/zinc/29/50/78/953295078.db2.gz GXICLPOETSNFQV-MEDUHNTESA-N 1 0 384.444 1.664 20 0 GDADRO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)on1 ZINC001571248823 953297828 /nfs/dbraw/zinc/29/78/28/953297828.db2.gz JLYPIDOPSDGKTI-STQMWFEESA-N 1 0 384.444 1.522 20 0 GDADRO Cc1ncoc1C[NH2+]C1CCC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571248851 953298215 /nfs/dbraw/zinc/29/82/15/953298215.db2.gz KGWQARLYUXMJFY-UHFFFAOYSA-N 1 0 384.444 1.664 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3ncccc3-c3nn[nH]n3)C2)C1 ZINC001571249014 953299423 /nfs/dbraw/zinc/29/94/23/953299423.db2.gz AVUKGGZISVOYHC-CABCVRRESA-N 1 0 384.488 1.031 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001571249111 953300847 /nfs/dbraw/zinc/30/08/47/953300847.db2.gz DHYAHUXHIHRWJE-BEFAXECRSA-N 1 0 384.488 1.220 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C1CC(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001571249466 953305239 /nfs/dbraw/zinc/30/52/39/953305239.db2.gz JIVPYRWJONQRBE-MOQPWLNLSA-N 1 0 384.484 1.906 20 0 GDADRO C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571249958 953308298 /nfs/dbraw/zinc/30/82/98/953308298.db2.gz MVUBJTDGRWQOKJ-UONOGXRCSA-N 1 0 384.488 1.252 20 0 GDADRO CC(C)(C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571250682 953311916 /nfs/dbraw/zinc/31/19/16/953311916.db2.gz SETBNWZZROPUTK-AWEZNQCLSA-N 1 0 384.488 1.221 20 0 GDADRO Cc1cnc([C@@H](C)[NH2+]C2CCC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571251323 953316397 /nfs/dbraw/zinc/31/63/97/953316397.db2.gz UDPJOOCAXAZHRH-PNESKVBLSA-N 1 0 384.444 1.883 20 0 GDADRO Cc1nc(NCC2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)ccc1-c1nn[nH]n1 ZINC001571251967 953321246 /nfs/dbraw/zinc/32/12/46/953321246.db2.gz CZGOVRNYHMAFQX-WLYUNCDWSA-N 1 0 384.488 1.219 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001571252439 953328031 /nfs/dbraw/zinc/32/80/31/953328031.db2.gz MOUGVYJFMOTVJS-HOCLYGCPSA-N 1 0 384.488 1.457 20 0 GDADRO O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cocn1 ZINC001571254019 953336265 /nfs/dbraw/zinc/33/62/65/953336265.db2.gz CIADZXFGZFVZBD-RISCZKNCSA-N 1 0 385.403 1.682 20 0 GDADRO O=C(c1c(F)cccc1F)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571254264 953337497 /nfs/dbraw/zinc/33/74/97/953337497.db2.gz BCXIZKZVKYKXPQ-LLVKDONJSA-N 1 0 385.378 1.679 20 0 GDADRO Cc1conc1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571254308 953337899 /nfs/dbraw/zinc/33/78/99/953337899.db2.gz FTCIVTSQBPTTRC-CYBMUJFWSA-N 1 0 385.403 1.554 20 0 GDADRO CCc1oncc1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571254552 953340251 /nfs/dbraw/zinc/34/02/51/953340251.db2.gz HBMIXRMMQIHJJU-ZDUSSCGKSA-N 1 0 385.403 1.561 20 0 GDADRO Cc1nocc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571254689 953340965 /nfs/dbraw/zinc/34/09/65/953340965.db2.gz IBAQQXRKRMJCIE-VDISTLRHSA-N 1 0 385.403 1.600 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1cocn1 ZINC001571255220 953346839 /nfs/dbraw/zinc/34/68/39/953346839.db2.gz MUSDBIFRNSZRKY-XHDPSFHLSA-N 1 0 385.403 1.682 20 0 GDADRO O=C(c1ccon1)N1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571255921 953357807 /nfs/dbraw/zinc/35/78/07/953357807.db2.gz WMSYIPJHUYJZQG-AWEZNQCLSA-N 1 0 385.403 1.778 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001345782711 962297083 /nfs/dbraw/zinc/29/70/83/962297083.db2.gz JEHQAZRYOVXCMV-IBGZPJMESA-N 1 0 388.512 1.952 20 0 GDADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1 ZINC000874418857 969396389 /nfs/dbraw/zinc/39/63/89/969396389.db2.gz LWQJSFRUHNSBHG-IBGZPJMESA-N 1 0 388.512 1.494 20 0 GDADRO CC(C)[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001592267197 977511487 /nfs/dbraw/zinc/51/14/87/977511487.db2.gz ASGHUZXBQOWAMQ-APWZRJJASA-N 1 0 390.528 1.964 20 0 GDADRO O=C([O-])Cc1cccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000911322255 982346078 /nfs/dbraw/zinc/34/60/78/982346078.db2.gz CGOSTXMUJBSOAT-UHFFFAOYSA-N 1 0 382.464 1.651 20 0 GDADRO CC[N@H+](CCNC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1)CCC(F)(F)F ZINC001596334365 983776195 /nfs/dbraw/zinc/77/61/95/983776195.db2.gz FTOQXBFNAPKJKD-UHFFFAOYSA-N 1 0 382.427 1.451 20 0 GDADRO C[C@H]1CN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)[C@@H](C)C[NH2+]1 ZINC001594479609 985518073 /nfs/dbraw/zinc/51/80/73/985518073.db2.gz MDPWAGRNVIBPTE-GJZGRUSLSA-N 1 0 375.473 1.107 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH+](CCC(=O)[O-])C[C@@H]1C ZINC001594542227 986180993 /nfs/dbraw/zinc/18/09/93/986180993.db2.gz GYXUFTSSCIHHHT-ZIFCJYIRSA-N 1 0 388.512 1.697 20 0 GDADRO CCOc1cc(C[N@H+](CCN2CC[NH+](C)CC2)CC(=O)[O-])cc(Cl)c1O ZINC001597033278 986461807 /nfs/dbraw/zinc/46/18/07/986461807.db2.gz ZMXRUVLGLOFCFA-UHFFFAOYSA-N 1 0 385.892 1.578 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)[O-])C1 ZINC001589445269 986809407 /nfs/dbraw/zinc/80/94/07/986809407.db2.gz PGIACSIVQDWUHB-FLMCSSBNSA-N 1 0 383.395 1.739 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001598423638 991761983 /nfs/dbraw/zinc/76/19/83/991761983.db2.gz KXROXEYXOWBKIQ-UHFFFAOYSA-N 1 0 377.489 1.342 20 0 GDADRO C[N@@H+]1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C[C@H](C(=O)[O-])C1 ZINC001598607131 993683783 /nfs/dbraw/zinc/68/37/83/993683783.db2.gz NPUXVSCFAURUBB-RTBURBONSA-N 1 0 388.512 1.871 20 0 GDADRO COc1cccc([C@H](CNC(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)[NH+](C)C)c1 ZINC001599658579 994621134 /nfs/dbraw/zinc/62/11/34/994621134.db2.gz UESHLNMNEDJPKV-YJBOKZPZSA-N 1 0 392.500 1.488 20 0 GDADRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C(=O)[O-])C1 ZINC001598803290 996160108 /nfs/dbraw/zinc/16/01/08/996160108.db2.gz LCWGRVUPTIRWEG-MJGOQNOKSA-N 1 0 390.480 1.999 20 0 GDADRO COC(=O)[C@]12CCC[C@H]1[N@H+](C[C@H](O)C[NH+]1CC[C@]3(C(=O)[O-])CCC[C@H]13)CC2 ZINC001598907784 997299667 /nfs/dbraw/zinc/29/96/67/997299667.db2.gz CCFMRYQHUFMVOS-YMBUTIGBSA-N 1 0 380.485 1.094 20 0 GDADRO CO[C@@H]1CCC[C@H]([C@@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C(=O)[O-])C1 ZINC001599111816 997582422 /nfs/dbraw/zinc/58/24/22/997582422.db2.gz ZPMBYRGJWKTHID-JRBPQWBISA-N 1 0 391.512 1.654 20 0 GDADRO CO[C@@H]1CCC[C@H]([C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C(=O)[O-])C1 ZINC001599111818 997582797 /nfs/dbraw/zinc/58/27/97/997582797.db2.gz ZPMBYRGJWKTHID-XFKSJGNHSA-N 1 0 391.512 1.654 20 0 GDADRO COc1ccc(C[N@H+](CCN2CC[NH+](C)CC2)CC(=O)[O-])cc1OC1CC1 ZINC001599558704 998145855 /nfs/dbraw/zinc/14/58/55/998145855.db2.gz OKOYOTSUWUBEDM-UHFFFAOYSA-N 1 0 377.485 1.370 20 0 GDADRO CCCCn1c2nc(C[NH2+]C3(CO)Cc4ccccc4C3)n(C)c2c(=O)[nH]c1=O ZINC000363644985 1126079732 /nfs/dbraw/zinc/07/97/32/1126079732.db2.gz LRNNGJQGCWOKOZ-UHFFFAOYSA-N 1 0 397.479 1.255 20 0 GDADRO OCC1([NH2+]Cc2nnnn2-c2ccc(OC(F)F)cc2)Cc2ccccc2C1 ZINC000363623566 1126079787 /nfs/dbraw/zinc/07/97/87/1126079787.db2.gz OBYKJSGKANJYBD-UHFFFAOYSA-N 1 0 387.390 1.883 20 0 GDADRO Cn1c2nnc(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)n2c2ccccc2c1=O ZINC000933441943 1126141720 /nfs/dbraw/zinc/14/17/20/1126141720.db2.gz QGIGDLHWNJCGHC-OAQYLSRUSA-N 1 0 395.438 1.804 20 0 GDADRO CCOC(=O)c1cc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)on1 ZINC001560185300 1126210002 /nfs/dbraw/zinc/21/00/02/1126210002.db2.gz UIFCLDZVYAEDPN-IBGZPJMESA-N 1 0 378.425 1.952 20 0 GDADRO CCOC(=O)c1nn(C)cc1C[NH2+][C@](C)(CO)Cc1ccc(OC)c(OC)c1 ZINC001660652390 1126265008 /nfs/dbraw/zinc/26/50/08/1126265008.db2.gz CQBGSLLNKSHHEG-FQEVSTJZSA-N 1 0 391.468 1.697 20 0 GDADRO Cc1sc2nc(CS[C@H](C)C(=O)N3CC([NH+](C)C)C3)[nH]c(=O)c2c1C ZINC000158472920 530533232 /nfs/dbraw/zinc/53/32/32/530533232.db2.gz DXGZESCKDUASQS-LLVKDONJSA-N 1 0 380.539 1.996 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000158943663 530537706 /nfs/dbraw/zinc/53/77/06/530537706.db2.gz KIBHHZGYDYRYNN-LBPRGKRZSA-N 1 0 384.395 1.970 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000161645349 530561942 /nfs/dbraw/zinc/56/19/42/530561942.db2.gz MWZBPZQBGWDSMH-CQSZACIVSA-N 1 0 391.331 1.820 20 0 GDADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000162400240 530568212 /nfs/dbraw/zinc/56/82/12/530568212.db2.gz BREDEQAAURVPEQ-JQWIXIFHSA-N 1 0 390.709 1.971 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(Br)nc2)CC1 ZINC000166696731 530583600 /nfs/dbraw/zinc/58/36/00/530583600.db2.gz LDDWPOTZWDNTBS-ZDUSSCGKSA-N 1 0 396.289 1.614 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)CN1c2ccc(Br)cc2OCC1=O ZINC000162855523 530571654 /nfs/dbraw/zinc/57/16/54/530571654.db2.gz QERHLYNXBODWTI-LBPRGKRZSA-N 1 0 384.274 1.808 20 0 GDADRO Cc1cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)ccc1Br ZINC000022913086 530573339 /nfs/dbraw/zinc/57/33/39/530573339.db2.gz OAGLKWVHWZUQAX-UHFFFAOYSA-N 1 0 376.320 1.283 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000163251413 530574941 /nfs/dbraw/zinc/57/49/41/530574941.db2.gz ZMBOLNVEDIGPAF-KBPBESRZSA-N 1 0 395.308 1.655 20 0 GDADRO CC(C)Oc1cc(Br)cc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000163898949 530577639 /nfs/dbraw/zinc/57/76/39/530577639.db2.gz LYEQDABVOUBRQG-ZDUSSCGKSA-N 1 0 393.303 1.937 20 0 GDADRO CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2N)CCN1CCOC ZINC000166013413 530581541 /nfs/dbraw/zinc/58/15/41/530581541.db2.gz GOLNAHWPNGJSDD-CYBMUJFWSA-N 1 0 376.910 1.439 20 0 GDADRO NC(=O)C1CC[NH+](CCCCNC(=O)Nc2ccc(Br)nc2)CC1 ZINC000166420443 530582594 /nfs/dbraw/zinc/58/25/94/530582594.db2.gz IAUUBCXDPRSVMM-UHFFFAOYSA-N 1 0 398.305 1.943 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2ccc(I)c(F)c2)CC1 ZINC000170920366 530591820 /nfs/dbraw/zinc/59/18/20/530591820.db2.gz NCVHDNASMLJMRO-UHFFFAOYSA-N 1 0 391.228 1.408 20 0 GDADRO COCC[N@H+](C)CCNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000171129166 530595079 /nfs/dbraw/zinc/59/50/79/530595079.db2.gz SQCDWSKJWIVQJC-UHFFFAOYSA-N 1 0 383.901 1.979 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000029368995 530595383 /nfs/dbraw/zinc/59/53/83/530595383.db2.gz UUOQFISZHHXTML-OAHLLOKOSA-N 1 0 389.587 1.278 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000171602610 530601464 /nfs/dbraw/zinc/60/14/64/530601464.db2.gz IZIMNSUFYAJUNR-ZDUSSCGKSA-N 1 0 386.543 1.426 20 0 GDADRO COC1(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[NH2+]CC1 ZINC000168637367 530584610 /nfs/dbraw/zinc/58/46/10/530584610.db2.gz SEZSGRQJHPGVGX-ZDUSSCGKSA-N 1 0 382.302 1.913 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000041718585 530623960 /nfs/dbraw/zinc/62/39/60/530623960.db2.gz APETWIVGCTXIIT-UHFFFAOYSA-N 1 0 397.317 1.450 20 0 GDADRO NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000173771598 530636427 /nfs/dbraw/zinc/63/64/27/530636427.db2.gz YMHLNYLEOJZMEL-UHFFFAOYSA-N 1 0 379.404 1.937 20 0 GDADRO CC(=O)NCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000173801069 530637064 /nfs/dbraw/zinc/63/70/64/530637064.db2.gz VMBQTUZMDUAFHX-UHFFFAOYSA-N 1 0 398.301 1.545 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000173814196 530637987 /nfs/dbraw/zinc/63/79/87/530637987.db2.gz LWRIHSXVLNTPAU-LLVKDONJSA-N 1 0 381.278 1.691 20 0 GDADRO C[C@H](CNS(=O)(=O)Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000172695123 530617210 /nfs/dbraw/zinc/61/72/10/530617210.db2.gz NHJLSHFCGXZCAC-CYBMUJFWSA-N 1 0 379.448 1.761 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000040105664 530618866 /nfs/dbraw/zinc/61/88/66/530618866.db2.gz HFNHXLQPHAICGB-CQSZACIVSA-N 1 0 389.543 1.090 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000174349422 530646649 /nfs/dbraw/zinc/64/66/49/530646649.db2.gz QGGIYXQPRVDMPK-VXGBXAGGSA-N 1 0 388.295 1.637 20 0 GDADRO CN(CC[NH+](C)C)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000176384206 530682708 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LTSKKTQMHYAJOX-GHMZBOCLSA-N 1 0 390.893 1.218 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000267926732 531462083 /nfs/dbraw/zinc/46/20/83/531462083.db2.gz DVUFMMNJUUNHQT-ZDUSSCGKSA-N 1 0 376.906 1.830 20 0 GDADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000537836447 531462159 /nfs/dbraw/zinc/46/21/59/531462159.db2.gz FFRJRGHOFXNFFB-UHFFFAOYSA-N 1 0 382.507 1.630 20 0 GDADRO CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414931145 531464665 /nfs/dbraw/zinc/46/46/65/531464665.db2.gz QWGZAGXJRIMZTH-UFBFGSQYSA-N 1 0 379.404 1.331 20 0 GDADRO CS[C@H]1CN(c2ncccc2S(=O)(=O)N2CCCCC2)C[C@H]1[NH+](C)C ZINC000538095098 531465219 /nfs/dbraw/zinc/46/52/19/531465219.db2.gz COXAULCXSPTFDD-CABCVRRESA-N 1 0 384.571 1.738 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000279984551 531465361 /nfs/dbraw/zinc/46/53/61/531465361.db2.gz ZRRORRFTDLOOOF-UHFFFAOYSA-N 1 0 380.894 1.604 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000486991283 531465873 /nfs/dbraw/zinc/46/58/73/531465873.db2.gz UTEXBEPNQVPXGW-MRXNPFEDSA-N 1 0 375.535 1.360 20 0 GDADRO O=C(NCCSCC(F)(F)F)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415066559 531466079 /nfs/dbraw/zinc/46/60/79/531466079.db2.gz TUWDDXVWVNXZCN-UHFFFAOYSA-N 1 0 377.388 1.519 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1cc(Br)ccc1-n1cccn1 ZINC000415167069 531467239 /nfs/dbraw/zinc/46/72/39/531467239.db2.gz SFFXLTLMJQEOOR-GFCCVEGCSA-N 1 0 380.246 1.745 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000415351885 531477615 /nfs/dbraw/zinc/47/76/15/531477615.db2.gz KFGHMNKALXPLII-QWRGUYRKSA-N 1 0 384.274 1.901 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000415198725 531467941 /nfs/dbraw/zinc/46/79/41/531467941.db2.gz GGXUJAFHQMZWDT-LBPRGKRZSA-N 1 0 380.392 1.195 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1nc(C)n[nH]1 ZINC000449229975 531468577 /nfs/dbraw/zinc/46/85/77/531468577.db2.gz GKHXDRHUXJMLBH-SNVBAGLBSA-N 1 0 396.289 1.721 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1nc(C)n[nH]1 ZINC000449229974 531469024 /nfs/dbraw/zinc/46/90/24/531469024.db2.gz GKHXDRHUXJMLBH-JTQLQIEISA-N 1 0 396.289 1.721 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)CCSC1 ZINC000268031623 531469040 /nfs/dbraw/zinc/46/90/40/531469040.db2.gz MJONTENPSMBVLB-RHSMWYFYSA-N 1 0 384.933 1.993 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000294254349 531469545 /nfs/dbraw/zinc/46/95/45/531469545.db2.gz QGOGPHZYOGLXTC-UHFFFAOYSA-N 1 0 397.726 1.023 20 0 GDADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000449406864 531470132 /nfs/dbraw/zinc/47/01/32/531470132.db2.gz DCIQFSMMOHFJBR-QMTHXVAHSA-N 1 0 380.279 1.658 20 0 GDADRO COC(=O)COC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000449317719 531470447 /nfs/dbraw/zinc/47/04/47/531470447.db2.gz BMAKLZIDPZCYKR-SNVBAGLBSA-N 1 0 399.296 1.439 20 0 GDADRO OCC[N@@H+]1CCCC[C@@H]1CNCc1cn(-c2ccccc2Br)nn1 ZINC000449398420 531470471 /nfs/dbraw/zinc/47/04/71/531470471.db2.gz UTLMDYWFTFDGAJ-OAHLLOKOSA-N 1 0 394.317 1.966 20 0 GDADRO CS(=O)(=O)c1cc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)ccc1Cl ZINC000415280709 531471958 /nfs/dbraw/zinc/47/19/58/531471958.db2.gz MBRUSUNPLFIVTE-UHFFFAOYSA-N 1 0 387.889 1.460 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c(C)cc1Br ZINC000415292288 531471973 /nfs/dbraw/zinc/47/19/73/531471973.db2.gz JFUZMDGGYYDMSB-SECBINFHSA-N 1 0 384.230 1.042 20 0 GDADRO CN(C)c1cc(NCc2cn(Cc3cccnc3)nn2)[nH+]cc1Br ZINC000449640084 531472715 /nfs/dbraw/zinc/47/27/15/531472715.db2.gz ANILSCAXKLIODC-UHFFFAOYSA-N 1 0 388.273 2.557 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415360758 531479032 /nfs/dbraw/zinc/47/90/32/531479032.db2.gz YFXNIXPOPCGDJR-JTQLQIEISA-N 1 0 377.242 1.743 20 0 GDADRO CC(C)[C@H]1CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC[N@@H+]1C ZINC000487962656 531479144 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CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)CC(C)C ZINC000488150205 531481603 /nfs/dbraw/zinc/48/16/03/531481603.db2.gz ZXPKMKIZWHGZPQ-HOTGVXAUSA-N 1 0 376.567 1.418 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415409277 531484307 /nfs/dbraw/zinc/48/43/07/531484307.db2.gz SUAFKIGMQFHYPE-JTQLQIEISA-N 1 0 381.889 1.856 20 0 GDADRO Cn1ncc(Br)c1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450053866 531484507 /nfs/dbraw/zinc/48/45/07/531484507.db2.gz UELVFUCIUPZCMM-KRWDZBQOSA-N 1 0 393.285 1.549 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000415437268 531486166 /nfs/dbraw/zinc/48/61/66/531486166.db2.gz PAFVCCAQEBVKNE-SNVBAGLBSA-N 1 0 387.221 1.358 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1I ZINC000415441822 531486185 /nfs/dbraw/zinc/48/61/85/531486185.db2.gz AUEPRMYSJCTWAF-GFCCVEGCSA-N 1 0 387.221 1.392 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[C@H]1[NH3+] ZINC000415448620 531487036 /nfs/dbraw/zinc/48/70/36/531487036.db2.gz QTLYHNOTFJPLSM-BXKDBHETSA-N 1 0 381.274 1.856 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415451331 531487042 /nfs/dbraw/zinc/48/70/42/531487042.db2.gz SMEMSIQQYKPQBP-CMPLNLGQSA-N 1 0 384.274 1.900 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415551819 531493537 /nfs/dbraw/zinc/49/35/37/531493537.db2.gz MMXLXXDAMGWJOR-SNVBAGLBSA-N 1 0 388.262 1.266 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415497214 531490787 /nfs/dbraw/zinc/49/07/87/531490787.db2.gz OWOTXVQCHRTLLE-VIFPVBQESA-N 1 0 376.201 1.876 20 0 GDADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415521101 531491824 /nfs/dbraw/zinc/49/18/24/531491824.db2.gz JWHXYKLDQSENIX-CYBMUJFWSA-N 1 0 382.262 1.477 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415541479 531492769 /nfs/dbraw/zinc/49/27/69/531492769.db2.gz NVFKZDOJNMDQIX-ZJUUUORDSA-N 1 0 384.249 1.673 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNCc1c(F)ccc(I)c1F ZINC000280405969 531493649 /nfs/dbraw/zinc/49/36/49/531493649.db2.gz VYSCTRZZOIMYPQ-ZDUSSCGKSA-N 1 0 384.208 1.972 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cncc(Br)c1 ZINC000415357503 531478410 /nfs/dbraw/zinc/47/84/10/531478410.db2.gz SAOZLGBTYDFJQI-NSHDSACASA-N 1 0 396.211 1.802 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415660173 531510545 /nfs/dbraw/zinc/51/05/45/531510545.db2.gz PESGIKUJBPPVBZ-HZMBPMFUSA-N 1 0 380.286 1.991 20 0 GDADRO [NH3+]C[C@H](NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1)C1CC1 ZINC000415672558 531511703 /nfs/dbraw/zinc/51/17/03/531511703.db2.gz KIHNBVLGQDPFDY-ZDUSSCGKSA-N 1 0 384.278 1.540 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)cnc1C ZINC000489875435 531512573 /nfs/dbraw/zinc/51/25/73/531512573.db2.gz NVVPZHIWPCGGGP-UHFFFAOYSA-N 1 0 387.527 1.282 20 0 GDADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000581727133 531512997 /nfs/dbraw/zinc/51/29/97/531512997.db2.gz JFZWDGNLFJILMW-QGZVFWFLSA-N 1 0 381.270 1.975 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489886726 531513160 /nfs/dbraw/zinc/51/31/60/531513160.db2.gz UCEDYEXOFHVWEK-BBRMVZONSA-N 1 0 381.318 1.756 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415682519 531513883 /nfs/dbraw/zinc/51/38/83/531513883.db2.gz BHTHSVHGZTVMAG-CQSZACIVSA-N 1 0 376.201 1.863 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415683382 531514304 /nfs/dbraw/zinc/51/43/04/531514304.db2.gz SPYFXJSTRXLILI-CPCISQLKSA-N 1 0 376.201 1.923 20 0 GDADRO O=C(Cc1ccc(Br)cc1O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000548732933 531515047 /nfs/dbraw/zinc/51/50/47/531515047.db2.gz PQDGVTDMVWIARJ-ZDUSSCGKSA-N 1 0 383.286 1.878 20 0 GDADRO Cc1cc(I)cc(NC(=O)NCCN2CC[NH2+]CC2)c1 ZINC000415701705 531515250 /nfs/dbraw/zinc/51/52/50/531515250.db2.gz BVULPYQUYXNRAE-UHFFFAOYSA-N 1 0 388.253 1.626 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000415693311 531515362 /nfs/dbraw/zinc/51/53/62/531515362.db2.gz ZGJRJHVNHYMBBL-NWDGAFQWSA-N 1 0 398.305 1.882 20 0 GDADRO CSC[C@H](C)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000268458016 531516314 /nfs/dbraw/zinc/51/63/14/531516314.db2.gz CEDYDVXFDXCYDP-AWEZNQCLSA-N 1 0 387.571 1.706 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2ccccc2Br)CC[NH2+]CC1 ZINC000415711245 531516497 /nfs/dbraw/zinc/51/64/97/531516497.db2.gz RZWBMBPXGKRTQI-UHFFFAOYSA-N 1 0 384.274 1.520 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc(OC)c(OC)cc1Br ZINC000295059052 531517275 /nfs/dbraw/zinc/51/72/75/531517275.db2.gz VEJQNUGZFPJSCD-UHFFFAOYSA-N 1 0 375.263 1.510 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c1OC ZINC000490049330 531518553 /nfs/dbraw/zinc/51/85/53/531518553.db2.gz XVRUQOCDUPYUQW-SNVBAGLBSA-N 1 0 377.894 1.184 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC000489195176 531494447 /nfs/dbraw/zinc/49/44/47/531494447.db2.gz ADPYTXACRAJJBE-OAHLLOKOSA-N 1 0 376.519 1.140 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)[C@@H](C)C[NH2+]1 ZINC000415565248 531495607 /nfs/dbraw/zinc/49/56/07/531495607.db2.gz OSDCDJGRVURTJX-ZJUUUORDSA-N 1 0 381.889 1.949 20 0 GDADRO O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000635547690 531496819 /nfs/dbraw/zinc/49/68/19/531496819.db2.gz KHUKRXDFPQWQFU-ZIAGYGMSSA-N 1 0 384.464 1.982 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000415581800 531498649 /nfs/dbraw/zinc/49/86/49/531498649.db2.gz STPOMJPGGLHDCC-ZJUUUORDSA-N 1 0 387.221 1.425 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000415592180 531499641 /nfs/dbraw/zinc/49/96/41/531499641.db2.gz DWIYINUBCDAZDJ-UHFFFAOYSA-N 1 0 386.235 1.754 20 0 GDADRO NS(=O)(=O)c1ccc(NC[C@H]2CCC[N@@H+]2CCCO)cc1C(F)(F)F ZINC000450589180 531502046 /nfs/dbraw/zinc/50/20/46/531502046.db2.gz CFDMBKURIAXSQH-GFCCVEGCSA-N 1 0 381.420 1.612 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH3+])n(-c2cccc(Br)c2)n1 ZINC000415606390 531503483 /nfs/dbraw/zinc/50/34/83/531503483.db2.gz YUZJBUMPMFYLDT-SNVBAGLBSA-N 1 0 380.246 1.345 20 0 GDADRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280501443 531504058 /nfs/dbraw/zinc/50/40/58/531504058.db2.gz DUFIIYHWPWVDRI-HZMBPMFUSA-N 1 0 395.319 1.535 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000415620065 531504739 /nfs/dbraw/zinc/50/47/39/531504739.db2.gz UDUQYDPZVCIVEM-TVQRCGJNSA-N 1 0 384.274 1.819 20 0 GDADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000294901032 531505841 /nfs/dbraw/zinc/50/58/41/531505841.db2.gz XGRMNWHGQRKCCS-YGRLFVJLSA-N 1 0 380.279 1.658 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)[C@@H](C)[NH+](C)C ZINC000635900044 531519830 /nfs/dbraw/zinc/51/98/30/531519830.db2.gz VNBMOMQGGBYABP-SNVBAGLBSA-N 1 0 376.320 1.925 20 0 GDADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415634948 531506633 /nfs/dbraw/zinc/50/66/33/531506633.db2.gz AMSHCVYCWRSSQC-QMMMGPOBSA-N 1 0 386.275 1.751 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000557015806 531506751 /nfs/dbraw/zinc/50/67/51/531506751.db2.gz QAXCGJFAYIEBAK-LBPRGKRZSA-N 1 0 382.302 1.790 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)C1 ZINC000635753515 531507140 /nfs/dbraw/zinc/50/71/40/531507140.db2.gz MWWMSXSTPNXRBE-MLGOLLRUSA-N 1 0 380.286 1.790 20 0 GDADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000415722256 531520622 /nfs/dbraw/zinc/52/06/22/531520622.db2.gz HOHVHNJONIIKFO-CYBMUJFWSA-N 1 0 395.301 1.202 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000280686627 531524899 /nfs/dbraw/zinc/52/48/99/531524899.db2.gz DFKDZTICBAEFPP-SNVBAGLBSA-N 1 0 392.319 1.557 20 0 GDADRO O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280685861 531525506 /nfs/dbraw/zinc/52/55/06/531525506.db2.gz ANVNMRKHHHKYOB-CXAGYDPISA-N 1 0 383.539 1.407 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])c(C)cc1Br ZINC000415798767 531532612 /nfs/dbraw/zinc/53/26/12/531532612.db2.gz CRYXQZNPDUQVPP-DTWKUNHWSA-N 1 0 386.246 1.335 20 0 GDADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415761344 531525880 /nfs/dbraw/zinc/52/58/80/531525880.db2.gz LNKSWWFXWMNIOX-JTQLQIEISA-N 1 0 376.404 1.949 20 0 GDADRO COc1cc(I)ccc1NC(=O)N(C)C[C@H](O)C[NH3+] ZINC000415770541 531526765 /nfs/dbraw/zinc/52/67/65/531526765.db2.gz GQXGOVBUYKMSQU-SECBINFHSA-N 1 0 379.198 1.083 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415781715 531528248 /nfs/dbraw/zinc/52/82/48/531528248.db2.gz JZCNWDCAMXTZOX-RITPCOANSA-N 1 0 397.163 1.360 20 0 GDADRO CC(=O)NCCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280706194 531528683 /nfs/dbraw/zinc/52/86/83/531528683.db2.gz LWSGNHKBCDATSL-SECBINFHSA-N 1 0 378.292 1.273 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1F)C(F)F ZINC000415780468 531528900 /nfs/dbraw/zinc/52/89/00/531528900.db2.gz BHMMLSSHYYFGRX-MRVPVSSYSA-N 1 0 386.143 1.765 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)cc1Br ZINC000415788366 531530375 /nfs/dbraw/zinc/53/03/75/531530375.db2.gz MDVCVMLIHJGDDX-JTQLQIEISA-N 1 0 394.216 1.885 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000415785730 531530489 /nfs/dbraw/zinc/53/04/89/531530489.db2.gz IQIGQUPVECBLSA-GFCCVEGCSA-N 1 0 399.337 1.845 20 0 GDADRO C[N@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)[C@H]1CCSC1 ZINC000490435217 531530597 /nfs/dbraw/zinc/53/05/97/531530597.db2.gz YLSQQQBMBBSTOY-INIZCTEOSA-N 1 0 381.929 1.948 20 0 GDADRO CC[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280773887 531538577 /nfs/dbraw/zinc/53/85/77/531538577.db2.gz GIVVETRKLIEBJU-GOEBONIOSA-N 1 0 389.949 1.746 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659080514 531538674 /nfs/dbraw/zinc/53/86/74/531538674.db2.gz GHWLCUZAPOTVHV-JGVFFNPUSA-N 1 0 376.201 1.862 20 0 GDADRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000582177266 531538642 /nfs/dbraw/zinc/53/86/42/531538642.db2.gz LNGYQJUUPNHDKN-GXFFZTMASA-N 1 0 375.288 1.800 20 0 GDADRO O=C(Nc1ccc(F)c(Br)c1F)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000659084880 531539623 /nfs/dbraw/zinc/53/96/23/531539623.db2.gz BGGWLGNFHQAZQV-GZMMTYOYSA-N 1 0 388.212 1.876 20 0 GDADRO COC(=O)c1ccc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c(Br)c1 ZINC000551554481 531539715 /nfs/dbraw/zinc/53/97/15/531539715.db2.gz JKWMQSJMGLVGGN-HNNXBMFYSA-N 1 0 399.285 1.996 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000636199550 531540408 /nfs/dbraw/zinc/54/04/08/531540408.db2.gz BIMPRUGOIPEBJW-XBFCOCLRSA-N 1 0 382.448 1.733 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000659106551 531541701 /nfs/dbraw/zinc/54/17/01/531541701.db2.gz QUXJJSDWWZMBIU-SNVBAGLBSA-N 1 0 394.273 1.820 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCCO1 ZINC000415842899 531541799 /nfs/dbraw/zinc/54/17/99/531541799.db2.gz AWFCGMHJSNJZMO-JTQLQIEISA-N 1 0 379.766 1.874 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415843270 531542387 /nfs/dbraw/zinc/54/23/87/531542387.db2.gz ICXJLUBHFWIBNB-MNOVXSKESA-N 1 0 384.274 1.840 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659103895 531542664 /nfs/dbraw/zinc/54/26/64/531542664.db2.gz FKRXVWQVICOKMZ-UHFFFAOYSA-N 1 0 382.258 1.573 20 0 GDADRO Cc1cnc(CNCc2ccccc2S(=O)(=O)N2CCN(C)CC2)s1 ZINC000295226908 531544702 /nfs/dbraw/zinc/54/47/02/531544702.db2.gz RMOARINEFSVQBN-UHFFFAOYSA-N 1 0 380.539 1.677 20 0 GDADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415857784 531545289 /nfs/dbraw/zinc/54/52/89/531545289.db2.gz RYLIUGZMOCHGIH-ZDUSSCGKSA-N 1 0 397.317 1.531 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000295239971 531546596 /nfs/dbraw/zinc/54/65/96/531546596.db2.gz SPKNKVIRDWQKQV-MFKMUULPSA-N 1 0 384.274 1.283 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CCCO1 ZINC000415863886 531546862 /nfs/dbraw/zinc/54/68/62/531546862.db2.gz RTLCJVQEKFOQEK-JTQLQIEISA-N 1 0 390.665 1.617 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC34CC(C3)C[NH2+]4)nc12 ZINC000659479771 531547766 /nfs/dbraw/zinc/54/77/66/531547766.db2.gz CGDLUJAJHCHSHO-UHFFFAOYSA-N 1 0 392.301 1.999 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000491074254 531547987 /nfs/dbraw/zinc/54/79/87/531547987.db2.gz ICBAYIFWJHSEDH-HNNXBMFYSA-N 1 0 385.555 1.169 20 0 GDADRO CSC1(CNC(=O)N2CCC(CS(C)(=O)=O)CC2)CC[NH+](C)CC1 ZINC000491073911 531548250 /nfs/dbraw/zinc/54/82/50/531548250.db2.gz FHMGLUVAVZBYJA-UHFFFAOYSA-N 1 0 377.576 1.280 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000659480683 531548778 /nfs/dbraw/zinc/54/87/78/531548778.db2.gz BOOGPJKCIKNSCS-BXUZGUMPSA-N 1 0 383.290 1.770 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)CC[NH3+])n(-c2cccc(Br)c2)n1 ZINC000415883050 531549666 /nfs/dbraw/zinc/54/96/66/531549666.db2.gz ZBNRTZAXNLMLNT-UHFFFAOYSA-N 1 0 380.246 1.299 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC(O)(C[NH3+])CC2)c(F)cc1Br ZINC000415887619 531550681 /nfs/dbraw/zinc/55/06/81/531550681.db2.gz PVUSIXROIQAQRM-UHFFFAOYSA-N 1 0 388.237 1.147 20 0 GDADRO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280867986 531551593 /nfs/dbraw/zinc/55/15/93/531551593.db2.gz NMIVQDLWFQGYEL-GDBMZVCRSA-N 1 0 388.965 1.535 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000659682273 531553692 /nfs/dbraw/zinc/55/36/92/531553692.db2.gz JJXOYUPXALXKNJ-LBCLYVMASA-N 1 0 394.269 1.339 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000558208434 531552102 /nfs/dbraw/zinc/55/21/02/531552102.db2.gz HHUJYSWSCOZSJB-UWVGGRQHSA-N 1 0 378.420 1.719 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000659683001 531552760 /nfs/dbraw/zinc/55/27/60/531552760.db2.gz QZOCCNSBQBPFGK-UTLUCORTSA-N 1 0 378.420 1.925 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000558208438 531553044 /nfs/dbraw/zinc/55/30/44/531553044.db2.gz HHUJYSWSCOZSJB-ZJUUUORDSA-N 1 0 378.420 1.719 20 0 GDADRO C[C@@H]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[C@@H]1[NH3+] ZINC000658973393 531533589 /nfs/dbraw/zinc/53/35/89/531533589.db2.gz IGQBHCJLVOAXOB-RNCFNFMXSA-N 1 0 380.242 1.241 20 0 GDADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415820057 531535455 /nfs/dbraw/zinc/53/54/55/531535455.db2.gz KFEGZEVHFUAMTL-VHSXEESVSA-N 1 0 376.404 1.949 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415810659 531535503 /nfs/dbraw/zinc/53/55/03/531535503.db2.gz QQQUNRLOFLUGHZ-GHMZBOCLSA-N 1 0 394.273 1.484 20 0 GDADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415820056 531535736 /nfs/dbraw/zinc/53/57/36/531535736.db2.gz KFEGZEVHFUAMTL-UWVGGRQHSA-N 1 0 376.404 1.949 20 0 GDADRO NS(=O)(=O)c1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cs1 ZINC000636400362 531555164 /nfs/dbraw/zinc/55/51/64/531555164.db2.gz NQGCSBXJPYHCRV-GFCCVEGCSA-N 1 0 375.541 1.552 20 0 GDADRO CCOC[C@H](C)CS(=O)(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000451158447 531557159 /nfs/dbraw/zinc/55/71/59/531557159.db2.gz KWEFWFBHXOJUDZ-YESZJQIVSA-N 1 0 376.563 1.810 20 0 GDADRO CN(C(=O)c1c(I)cnn1C)C(C)(C)C[NH+]1CCCC1 ZINC000416108153 531557603 /nfs/dbraw/zinc/55/76/03/531557603.db2.gz PPTVIVVIERAGLE-UHFFFAOYSA-N 1 0 390.269 1.971 20 0 GDADRO NC(=O)[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000280924552 531558027 /nfs/dbraw/zinc/55/80/27/531558027.db2.gz PWDIXRGEPHVVNG-ABAIWWIYSA-N 1 0 395.301 1.759 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000659742791 531558571 /nfs/dbraw/zinc/55/85/71/531558571.db2.gz ITKWFEYJHPHIBH-UHFFFAOYSA-N 1 0 396.260 1.341 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000659754580 531558863 /nfs/dbraw/zinc/55/88/63/531558863.db2.gz VPLPZKROZVEDEL-FZMZJTMJSA-N 1 0 384.274 1.073 20 0 GDADRO COc1cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)ccc1S(=O)(=O)C(F)F 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O=C(NC[C@H]1CCCC[NH2+]1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000637002916 531594514 /nfs/dbraw/zinc/59/45/14/531594514.db2.gz WLOWDGCZLJHUQK-DOMZBBRYSA-N 1 0 395.301 1.774 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000583802227 531596066 /nfs/dbraw/zinc/59/60/66/531596066.db2.gz FOEHYLFHMMVSDP-HZPDHXFCSA-N 1 0 397.317 1.436 20 0 GDADRO CCOC[C@H](C)CS(=O)(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000451355225 531596110 /nfs/dbraw/zinc/59/61/10/531596110.db2.gz PGPOSOUCDUMQFT-KRWDZBQOSA-N 1 0 375.579 1.479 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000269016635 531600640 /nfs/dbraw/zinc/60/06/40/531600640.db2.gz ISBFQCDJWNZOCM-LLVKDONJSA-N 1 0 377.894 1.074 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CCSc2cccc(Cl)c2)[C@H](N2CCOCC2)C1 ZINC000660075572 531600966 /nfs/dbraw/zinc/60/09/66/531600966.db2.gz YSFYISVBNXFEDH-JKSUJKDBSA-N 1 0 390.958 1.520 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)c1OC ZINC000583871455 531601052 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531612906 /nfs/dbraw/zinc/61/29/06/531612906.db2.gz PBGHATYBENVSSQ-MEBBXXQBSA-N 1 0 385.917 1.769 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000615125937 531613667 /nfs/dbraw/zinc/61/36/67/531613667.db2.gz DGIRXSPRNOBRSS-OAHLLOKOSA-N 1 0 397.317 1.461 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)c2cc(OC)c(OC)cc2I)C1 ZINC000269139816 531614575 /nfs/dbraw/zinc/61/45/75/531614575.db2.gz UYQGIIONRGYXIP-SECBINFHSA-N 1 0 390.221 1.742 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000281406909 531614712 /nfs/dbraw/zinc/61/47/12/531614712.db2.gz YANXYNNBDARHNC-UHFFFAOYSA-N 1 0 381.318 1.629 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000615481198 531618896 /nfs/dbraw/zinc/61/88/96/531618896.db2.gz ZCVNXTDWGYARSL-LLVKDONJSA-N 1 0 397.273 1.608 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CCCO1 ZINC000281458709 531620458 /nfs/dbraw/zinc/62/04/58/531620458.db2.gz FPMNTPYRGCJGGK-LBPRGKRZSA-N 1 0 389.905 1.218 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000494725493 531621867 /nfs/dbraw/zinc/62/18/67/531621867.db2.gz CMSHZSIWKZTDTL-AWEZNQCLSA-N 1 0 384.889 1.946 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1Cc2cccc(Br)c2C1 ZINC000637376039 531622814 /nfs/dbraw/zinc/62/28/14/531622814.db2.gz YPKQHCKEAFSPKV-HNNXBMFYSA-N 1 0 395.301 1.814 20 0 GDADRO CN(CC(=O)Nc1ccccc1I)C(C)(C)C(N)=O ZINC000295800349 531623791 /nfs/dbraw/zinc/62/37/91/531623791.db2.gz VYJJWPKIYPBIAV-UHFFFAOYSA-N 1 0 375.210 1.425 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)COc2ccsc2Cl)cn1 ZINC000560076592 531624317 /nfs/dbraw/zinc/62/43/17/531624317.db2.gz RMPCNINSFRJAHL-UHFFFAOYSA-N 1 0 385.877 1.293 20 0 GDADRO COC(=O)[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000269230961 531627109 /nfs/dbraw/zinc/62/71/09/531627109.db2.gz QQOCLWJCWLMELG-HIFRSBDPSA-N 1 0 385.258 1.548 20 0 GDADRO O=c1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)nc2ccc(Br)cn12 ZINC000560183571 531629255 /nfs/dbraw/zinc/62/92/55/531629255.db2.gz MLSZILDPQRXYQI-DYVFJYSZSA-N 1 0 391.269 1.604 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1CCSC1 ZINC000584834898 531630915 /nfs/dbraw/zinc/63/09/15/531630915.db2.gz JFHDDZJYJCPHIT-AWEZNQCLSA-N 1 0 391.580 1.987 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000584782063 531629424 /nfs/dbraw/zinc/62/94/24/531629424.db2.gz UVQVSODXKIXUSH-SNVBAGLBSA-N 1 0 380.297 1.469 20 0 GDADRO COc1cc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)ccc1Cl ZINC000416467184 531630119 /nfs/dbraw/zinc/63/01/19/531630119.db2.gz UESRMBHTOVKTQW-CYBMUJFWSA-N 1 0 375.922 1.653 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000637809565 531634296 /nfs/dbraw/zinc/63/42/96/531634296.db2.gz AMLMBMBRQDCWNV-CRAIPNDOSA-N 1 0 394.313 1.617 20 0 GDADRO COc1cccc(C[C@H]([NH3+])C(=O)Nc2cc(Br)c(=O)n(C)c2)c1 ZINC000638041200 531642730 /nfs/dbraw/zinc/64/27/30/531642730.db2.gz IVRJDMTVBCPMQK-AWEZNQCLSA-N 1 0 380.242 1.665 20 0 GDADRO COc1cc(S(=O)(=O)N(C)CCC[N@H+](C)CCN(C)C)ccc1Cl ZINC000416489397 531643619 /nfs/dbraw/zinc/64/36/19/531643619.db2.gz RSCZPWJKZPYRRA-UHFFFAOYSA-N 1 0 377.938 1.853 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cncc(I)c1 ZINC000560445877 531644708 /nfs/dbraw/zinc/64/47/08/531644708.db2.gz BHEQCSYPRBXZQF-CYBMUJFWSA-N 1 0 391.253 1.509 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365387382 531646027 /nfs/dbraw/zinc/64/60/27/531646027.db2.gz OUGPOYROKWXCCG-IINYFYTJSA-N 1 0 392.253 1.256 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000269295039 531636569 /nfs/dbraw/zinc/63/65/69/531636569.db2.gz ADUXCWVXEDSEQZ-LBPRGKRZSA-N 1 0 393.506 1.160 20 0 GDADRO COC[C@]1(C(=O)NCC(=O)Nc2ccc(Br)cc2C)CCCC[NH2+]1 ZINC000637883185 531640024 /nfs/dbraw/zinc/64/00/24/531640024.db2.gz DWSDFQZWQVODEA-KRWDZBQOSA-N 1 0 398.301 1.971 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c(F)c1 ZINC000451573010 531642007 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CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000638492938 531654446 /nfs/dbraw/zinc/65/44/46/531654446.db2.gz RSVZAXQITAIGJF-ZDUSSCGKSA-N 1 0 382.258 1.850 20 0 GDADRO O=C(c1ccc(F)c(Br)c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638478874 531655304 /nfs/dbraw/zinc/65/53/04/531655304.db2.gz RNMCRSQSMRJXOH-UHFFFAOYSA-N 1 0 399.264 1.371 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C[N@@H+]1C1CC1 ZINC000269371289 531656672 /nfs/dbraw/zinc/65/66/72/531656672.db2.gz YSCFPXGEYLCJJT-GHMZBOCLSA-N 1 0 391.490 1.101 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000269372548 531657583 /nfs/dbraw/zinc/65/75/83/531657583.db2.gz WVDFBPFFAANYDI-CQSZACIVSA-N 1 0 388.555 1.945 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000500462673 531658478 /nfs/dbraw/zinc/65/84/78/531658478.db2.gz RKGFHAKLRDZDRJ-DOMZBBRYSA-N 1 0 383.905 1.728 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C[C@@H]1O ZINC000560635036 531659041 /nfs/dbraw/zinc/65/90/41/531659041.db2.gz KGTZILSFFOVEOJ-ONERCXAPSA-N 1 0 386.279 1.480 20 0 GDADRO Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000451663141 531659557 /nfs/dbraw/zinc/65/95/57/531659557.db2.gz AGNIZLNTMFNXMC-CQSZACIVSA-N 1 0 391.331 1.883 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000451663157 531659935 /nfs/dbraw/zinc/65/99/35/531659935.db2.gz AHYDDUVVCRWIOO-HNNXBMFYSA-N 1 0 376.906 1.612 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000617507929 531661300 /nfs/dbraw/zinc/66/13/00/531661300.db2.gz OZHJHMMNECZGDY-NSHDSACASA-N 1 0 387.322 1.860 20 0 GDADRO CC(C)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000589031496 531663681 /nfs/dbraw/zinc/66/36/81/531663681.db2.gz IJFMRNSICOXZFG-UHFFFAOYSA-N 1 0 394.324 1.824 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296161502 531663950 /nfs/dbraw/zinc/66/39/50/531663950.db2.gz OPXUOVLNAOSQKC-GFCCVEGCSA-N 1 0 399.289 1.054 20 0 GDADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638659263 531664004 /nfs/dbraw/zinc/66/40/04/531664004.db2.gz AVJJBSFXUMJRBV-QWHCGFSZSA-N 1 0 387.303 1.937 20 0 GDADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451671697 531664257 /nfs/dbraw/zinc/66/42/57/531664257.db2.gz QWAIOQSWJDCDSU-HNNXBMFYSA-N 1 0 380.432 1.972 20 0 GDADRO O=S(=O)(Cc1ccccc1C(F)(F)F)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451673155 531664388 /nfs/dbraw/zinc/66/43/88/531664388.db2.gz UMXHTIXQILFNOT-AWEZNQCLSA-N 1 0 380.432 1.972 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)CCOCC[NH3+] ZINC000638678083 531664447 /nfs/dbraw/zinc/66/44/47/531664447.db2.gz JXZRWKXCYRWUMI-SECBINFHSA-N 1 0 378.292 1.063 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NCC[NH+](C)C)cc(Br)c1C ZINC000589215152 531666116 /nfs/dbraw/zinc/66/61/16/531666116.db2.gz DGYSMKPGQFKAJQ-UHFFFAOYSA-N 1 0 393.303 1.774 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1sccc1Br ZINC000560892968 531672116 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GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000638943446 531678169 /nfs/dbraw/zinc/67/81/69/531678169.db2.gz ULKNUTYSHDJESZ-OHFALNGGSA-N 1 0 392.297 1.462 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662445788 531679525 /nfs/dbraw/zinc/67/95/25/531679525.db2.gz SGMYUJBDOAPQAR-TZMCWYRMSA-N 1 0 384.274 1.518 20 0 GDADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc3c(s2)CC[NH2+]C3)c1 ZINC000662441899 531680247 /nfs/dbraw/zinc/68/02/47/531680247.db2.gz SYYYGIZZFQZNGJ-NSHDSACASA-N 1 0 379.507 1.793 20 0 GDADRO Cc1cc(Br)c(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)s1 ZINC000618299903 531680294 /nfs/dbraw/zinc/68/02/94/531680294.db2.gz FTKFDFUXHQHCEE-UHFFFAOYSA-N 1 0 376.320 1.911 20 0 GDADRO [NH3+]CCn1cc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)nn1 ZINC000662449096 531680739 /nfs/dbraw/zinc/68/07/39/531680739.db2.gz JXYNCEMUSPLUTG-CQSZACIVSA-N 1 0 388.230 1.896 20 0 GDADRO CCNS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000662501426 531682161 /nfs/dbraw/zinc/68/21/61/531682161.db2.gz KCFDFXVDMWZZRA-UHFFFAOYSA-N 1 0 379.507 1.622 20 0 GDADRO O=C(c1cc(Br)ccc1-n1cnnn1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662518769 531682736 /nfs/dbraw/zinc/68/27/36/531682736.db2.gz UIALPGNGGRWLPQ-INIZCTEOSA-N 1 0 391.273 1.641 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1csc(C2CC2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000502584388 531683623 /nfs/dbraw/zinc/68/36/23/531683623.db2.gz GMSWNFPNZMZYBP-CQSZACIVSA-N 1 0 385.555 1.992 20 0 GDADRO NS(=O)(=O)c1ccc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)s1 ZINC000639191024 531685676 /nfs/dbraw/zinc/68/56/76/531685676.db2.gz AYUJHHLVCLGCQO-QGZVFWFLSA-N 1 0 384.498 1.962 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000561229952 531686970 /nfs/dbraw/zinc/68/69/70/531686970.db2.gz XTRXJBLPYMOKOR-ZJUUUORDSA-N 1 0 391.274 1.411 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000503235441 531688854 /nfs/dbraw/zinc/68/88/54/531688854.db2.gz VJDQRQIPPUVTSC-CABCVRRESA-N 1 0 377.576 1.134 20 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Cc1cc(NC(=O)C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)ccc1Br ZINC000639955065 531712122 /nfs/dbraw/zinc/71/21/22/531712122.db2.gz XDUKOYXDMFQKRD-IRXDYDNUSA-N 1 0 394.269 1.681 20 0 GDADRO CCSc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c(Br)c1 ZINC000639848609 531706381 /nfs/dbraw/zinc/70/63/81/531706381.db2.gz ZROAQMIDJBEKQA-TXEJJXNPSA-N 1 0 386.315 1.580 20 0 GDADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000282122215 531709268 /nfs/dbraw/zinc/70/92/68/531709268.db2.gz HRDPPYFSLQFVQH-UHFFFAOYSA-N 1 0 389.543 1.136 20 0 GDADRO O=C(CN1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1ccc(I)cc1 ZINC000591447834 531724446 /nfs/dbraw/zinc/72/44/46/531724446.db2.gz ALUFPOMYEOFWLU-FZMZJTMJSA-N 1 0 385.249 1.914 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C[C@@H]1O ZINC000664830844 531728891 /nfs/dbraw/zinc/72/88/91/531728891.db2.gz BEACMIHTSHYLNP-AGIUHOORSA-N 1 0 388.237 1.338 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C[C@@H]1O ZINC000664825377 531730151 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CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH2+]C)s1 ZINC000416912969 531744062 /nfs/dbraw/zinc/74/40/62/531744062.db2.gz JYZZLHREQBZSPD-CYBMUJFWSA-N 1 0 388.559 1.672 20 0 GDADRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C[NH+](C)C ZINC000452009363 531744745 /nfs/dbraw/zinc/74/47/45/531744745.db2.gz POVNWSCNQIJNFG-LLVKDONJSA-N 1 0 392.319 1.041 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)s1 ZINC000416924874 531746483 /nfs/dbraw/zinc/74/64/83/531746483.db2.gz XRAKDFIQELZDJU-OLZOCXBDSA-N 1 0 388.559 1.670 20 0 GDADRO CN(C)C(=O)CN1CCC(NC(=O)Nc2ccnc(Br)c2)CC1 ZINC000297020057 531748856 /nfs/dbraw/zinc/74/88/56/531748856.db2.gz QJVSDESYARUWLR-UHFFFAOYSA-N 1 0 384.278 1.518 20 0 GDADRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000416959239 531749103 /nfs/dbraw/zinc/74/91/03/531749103.db2.gz UYJGDDMMOFENKB-QWHCGFSZSA-N 1 0 388.921 1.245 20 0 GDADRO O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H](O)c1cccc(Br)c1 ZINC000297038455 531752763 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Cn1cc(CC(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)cn1 ZINC000562634729 531768715 /nfs/dbraw/zinc/76/87/15/531768715.db2.gz IRZSJBOVSWXMNN-UHFFFAOYSA-N 1 0 393.289 1.511 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(Br)ccc2OC(F)F)CCO1 ZINC000417416170 531768821 /nfs/dbraw/zinc/76/88/21/531768821.db2.gz ZKYCRAUCIJIMKN-LLVKDONJSA-N 1 0 394.216 1.920 20 0 GDADRO C[C@]1(CNC(=O)NCCNC(=O)c2cccc(Br)c2)CCC[NH2+]C1 ZINC000417429551 531769594 /nfs/dbraw/zinc/76/95/94/531769594.db2.gz IZBJVUQWXDYAJH-KRWDZBQOSA-N 1 0 397.317 1.868 20 0 GDADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1cc2c(cc1Br)OCO2 ZINC000622090807 531769658 /nfs/dbraw/zinc/76/96/58/531769658.db2.gz XNDNBDOFNHLCBM-PHIMTYICSA-N 1 0 383.242 1.771 20 0 GDADRO CCC[NH2+]CCNC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417433608 531770130 /nfs/dbraw/zinc/77/01/30/531770130.db2.gz KFNKIHNJZABPMI-UHFFFAOYSA-N 1 0 385.306 1.868 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)[C@@H]1C ZINC000417432302 531770345 /nfs/dbraw/zinc/77/03/45/531770345.db2.gz LRKXXULBMAISGS-VXGBXAGGSA-N 1 0 383.290 1.571 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417439796 531771684 /nfs/dbraw/zinc/77/16/84/531771684.db2.gz SVNXSIAMHSIUQB-AWEZNQCLSA-N 1 0 385.306 1.852 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417443456 531772595 /nfs/dbraw/zinc/77/25/95/531772595.db2.gz XMSJAFIUCDIGGT-KBPBESRZSA-N 1 0 383.290 1.748 20 0 GDADRO [NH3+]C1CCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)CC1 ZINC000417440852 531772751 /nfs/dbraw/zinc/77/27/51/531772751.db2.gz YYSVZZPJYBNHBI-UHFFFAOYSA-N 1 0 383.290 1.702 20 0 GDADRO O=C(NCCc1ccc(I)s1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417441685 531773276 /nfs/dbraw/zinc/77/32/76/531773276.db2.gz QOQUQMGEPXPHNC-JZYVYDRUSA-N 1 0 377.251 1.412 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000667262759 531773439 /nfs/dbraw/zinc/77/34/39/531773439.db2.gz MYRZHPOECYXGLX-LBPRGKRZSA-N 1 0 384.249 1.736 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1COc2ccc(Br)cc21 ZINC000452376369 531775282 /nfs/dbraw/zinc/77/52/82/531775282.db2.gz KTGCACWNRJFBOK-ZFWWWQNUSA-N 1 0 383.286 1.888 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)COc2cccc(I)c2)CCO1 ZINC000592308421 531777338 /nfs/dbraw/zinc/77/73/38/531777338.db2.gz MFFHDNCHRJLZGY-GXFFZTMASA-N 1 0 390.221 1.245 20 0 GDADRO Cc1cc(Br)c(NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1Cl ZINC000667383464 531778774 /nfs/dbraw/zinc/77/87/74/531778774.db2.gz PXVCOHXJORWEGR-UHFFFAOYSA-N 1 0 389.681 1.964 20 0 GDADRO O=C(c1cncc(I)c1)N1CCN([C@H]2CCOC2)CC1 ZINC000366797618 531778952 /nfs/dbraw/zinc/77/89/52/531778952.db2.gz IAFYOIJOJNVWEQ-ZDUSSCGKSA-N 1 0 387.221 1.233 20 0 GDADRO COc1ccc(Cn2cc(CN3CC[NH+](C)CC3)nn2)c(Br)c1 ZINC000641117859 531779048 /nfs/dbraw/zinc/77/90/48/531779048.db2.gz BDYBZCOENWAOEM-UHFFFAOYSA-N 1 0 380.290 1.845 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000562789303 531779079 /nfs/dbraw/zinc/77/90/79/531779079.db2.gz RYKZZORBIFNUMD-CQSZACIVSA-N 1 0 386.905 1.154 20 0 GDADRO [NH3+]CCOCc1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641120729 531779682 /nfs/dbraw/zinc/77/96/82/531779682.db2.gz LKPNYXGRIOTTFJ-UHFFFAOYSA-N 1 0 383.246 1.726 20 0 GDADRO Cc1cc(N2CCC[C@@H](n3cc([C@H]([NH3+])CO)nn3)C2=O)ccc1Br ZINC000641116801 531779797 /nfs/dbraw/zinc/77/97/97/531779797.db2.gz FZWWINVCLLANOO-UKRRQHHQSA-N 1 0 394.273 1.709 20 0 GDADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000667400401 531779998 /nfs/dbraw/zinc/77/99/98/531779998.db2.gz SNTWMEFTMJWQKH-PELKAZGASA-N 1 0 376.240 1.515 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CCO1 ZINC000418086290 531801192 /nfs/dbraw/zinc/80/11/92/531801192.db2.gz ZSSKNIIEMAEXCX-YPMHNXCESA-N 1 0 387.267 1.468 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000297575903 531801309 /nfs/dbraw/zinc/80/13/09/531801309.db2.gz TUIBDACOUPSIAW-INIZCTEOSA-N 1 0 391.921 1.116 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@]2(OCCO)CCOC2)cc1O ZINC000668489633 531801607 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C[NH2+]C[C@@H](C)CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000418398343 531824819 /nfs/dbraw/zinc/82/48/19/531824819.db2.gz WIMKYIXSHFZCHL-RISCZKNCSA-N 1 0 383.290 1.487 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)C1CC1 ZINC000418399406 531824828 /nfs/dbraw/zinc/82/48/28/531824828.db2.gz KWSIKDBQXIGAJM-ABAIWWIYSA-N 1 0 388.281 1.776 20 0 GDADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000418413225 531825337 /nfs/dbraw/zinc/82/53/37/531825337.db2.gz YSBYFBRDZYEQOI-CABCVRRESA-N 1 0 386.290 1.870 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000418459300 531825981 /nfs/dbraw/zinc/82/59/81/531825981.db2.gz GJTSRBASFPYVAP-JTQLQIEISA-N 1 0 380.440 1.906 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000453717477 531826346 /nfs/dbraw/zinc/82/63/46/531826346.db2.gz XRIZNNUKKXTHKM-LBPRGKRZSA-N 1 0 383.290 1.891 20 0 GDADRO C[C@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000418510511 531828405 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IUQXGFPVUACUBF-VIFPVBQESA-N 1 0 385.287 1.995 20 0 GDADRO O=C(NC[C@H](CO)Cc1c(F)cccc1Cl)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418752067 531838211 /nfs/dbraw/zinc/83/82/11/531838211.db2.gz SFVFHPOSRVLUNP-QMTHXVAHSA-N 1 0 379.810 1.927 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000418781417 531838873 /nfs/dbraw/zinc/83/88/73/531838873.db2.gz LYUPOPOWTZNPSV-GFCCVEGCSA-N 1 0 384.274 1.332 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418775170 531839465 /nfs/dbraw/zinc/83/94/65/531839465.db2.gz WENJUCXQCPAEHO-OAHLLOKOSA-N 1 0 386.290 1.848 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCC2(CC[NH2+]CC2)CC1 ZINC000624362187 531839577 /nfs/dbraw/zinc/83/95/77/531839577.db2.gz JVCVTHDQRYMNJP-UHFFFAOYSA-N 1 0 375.441 1.880 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000418778368 531839860 /nfs/dbraw/zinc/83/98/60/531839860.db2.gz IQKUITLJYZIPMV-XHDPSFHLSA-N 1 0 398.301 1.802 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670406933 531830179 /nfs/dbraw/zinc/83/01/79/531830179.db2.gz GULJHALMSUQQNN-ZDUSSCGKSA-N 1 0 385.295 1.229 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@H](C(F)(F)F)C1 ZINC000418610747 531831587 /nfs/dbraw/zinc/83/15/87/531831587.db2.gz GZMOFVPGWLLEBB-QWRGUYRKSA-N 1 0 376.345 1.806 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000418831076 531849259 /nfs/dbraw/zinc/84/92/59/531849259.db2.gz KGQRRZSHHVJHFU-LSDHHAIUSA-N 1 0 380.286 1.632 20 0 GDADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)C(=O)NC1CC[NH2+]CC1 ZINC000418839599 531850340 /nfs/dbraw/zinc/85/03/40/531850340.db2.gz CZQBHMFCGGCZAN-UHFFFAOYSA-N 1 0 393.285 1.457 20 0 GDADRO CCC(C)(C)[NH+]1CCN(C(=O)c2c(I)cnn2C)CC1 ZINC000594388693 531851346 /nfs/dbraw/zinc/85/13/46/531851346.db2.gz AIFKLICWNKRILB-UHFFFAOYSA-N 1 0 390.269 1.971 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000298099106 531851566 /nfs/dbraw/zinc/85/15/66/531851566.db2.gz OMEDNIBQTUZOBD-ZIAGYGMSSA-N 1 0 387.889 1.394 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)Cc2cccc(Br)c2)C1 ZINC000418848475 531852863 /nfs/dbraw/zinc/85/28/63/531852863.db2.gz YXAHDVDDCQWRRM-OCCSQVGLSA-N 1 0 382.302 1.564 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000418851790 531854160 /nfs/dbraw/zinc/85/41/60/531854160.db2.gz SVLLYPWNSDMLKH-RYUDHWBXSA-N 1 0 386.265 1.491 20 0 GDADRO [NH3+]C/C=C/CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000641865654 531855008 /nfs/dbraw/zinc/85/50/08/531855008.db2.gz ZTJVFQOAVPFVMP-ISUDXETCSA-N 1 0 396.289 1.719 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418799592 531840624 /nfs/dbraw/zinc/84/06/24/531840624.db2.gz APVGVJBOVQKTBV-UOVKNHIHSA-N 1 0 398.276 1.804 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H](CCO)c1ccccc1Br ZINC000418800044 531840970 /nfs/dbraw/zinc/84/09/70/531840970.db2.gz WPGYSFHYHQMQHZ-IUODEOHRSA-N 1 0 386.290 1.550 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1Cl ZINC000624386698 531841582 /nfs/dbraw/zinc/84/15/82/531841582.db2.gz UGWMZVXJWODWAE-UHFFFAOYSA-N 1 0 379.841 1.224 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)C1 ZINC000418806694 531842237 /nfs/dbraw/zinc/84/22/37/531842237.db2.gz IJHYJQOJYCNBOM-FCHSOHFDSA-N 1 0 386.315 1.680 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000624396961 531843157 /nfs/dbraw/zinc/84/31/57/531843157.db2.gz KFTZJUGKMDXEPX-UHFFFAOYSA-N 1 0 383.283 1.753 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1F ZINC000624405048 531843238 /nfs/dbraw/zinc/84/32/38/531843238.db2.gz ARWDYWWPUCKPKZ-VXGBXAGGSA-N 1 0 393.506 1.396 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000418811738 531844187 /nfs/dbraw/zinc/84/41/87/531844187.db2.gz QEYIXXGJIRJELE-OQPBUACISA-N 1 0 375.803 1.464 20 0 GDADRO CC1(CNC(=O)C(=O)NCc2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000418811795 531844752 /nfs/dbraw/zinc/84/47/52/531844752.db2.gz IGSSYBBLMDYVFF-UHFFFAOYSA-N 1 0 386.265 1.710 20 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/nfs/dbraw/zinc/84/52/96/531845296.db2.gz CLWRGGLGKCOCAP-HNNXBMFYSA-N 1 0 390.253 1.264 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1F ZINC000624406342 531845445 /nfs/dbraw/zinc/84/54/45/531845445.db2.gz ZZEULQPCTXLQAZ-GHMZBOCLSA-N 1 0 379.479 1.006 20 0 GDADRO CCOC1(CS(=O)(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)CCOCC1 ZINC000641625134 531845448 /nfs/dbraw/zinc/84/54/48/531845448.db2.gz SNLMYBFCGQAIMN-IRXDYDNUSA-N 1 0 376.563 1.954 20 0 GDADRO CCCN(C(=O)C(=O)NCc1ccc(F)cc1Br)[C@H]1CC[NH2+]C1 ZINC000418821848 531845688 /nfs/dbraw/zinc/84/56/88/531845688.db2.gz QRGITURKOMLCMH-ZDUSSCGKSA-N 1 0 386.265 1.805 20 0 GDADRO CO[C@H](C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc(Cl)cc1 ZINC000283270310 531845793 /nfs/dbraw/zinc/84/57/93/531845793.db2.gz WOFKTPOXMWQBGO-BRWVUGGUSA-N 1 0 388.917 1.115 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418819414 531845898 /nfs/dbraw/zinc/84/58/98/531845898.db2.gz DBIOVJNQLBHLAZ-TZQJONAQSA-N 1 0 380.286 1.617 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418816892 531845925 /nfs/dbraw/zinc/84/59/25/531845925.db2.gz ZEOKVZWSTQKNTE-LNFKQOIKSA-N 1 0 386.315 1.597 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3cncc(Br)c3)C2)CC1 ZINC000270234514 531846085 /nfs/dbraw/zinc/84/60/85/531846085.db2.gz UQYLUTWDOAXFTJ-ZDUSSCGKSA-N 1 0 395.301 1.973 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1cc(Br)cs1)C1CC[NH+](C)CC1 ZINC000671158833 531846788 /nfs/dbraw/zinc/84/67/88/531846788.db2.gz LDQXTUZNIWAXMR-JTQLQIEISA-N 1 0 388.331 1.973 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC[NH2+]1 ZINC000418824511 531848306 /nfs/dbraw/zinc/84/83/06/531848306.db2.gz JHPYXVTWGWGAKK-REJLFOLJSA-N 1 0 380.286 1.678 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCCCC[NH3+])Sc1ccc(Br)cc1 ZINC000418932117 531866234 /nfs/dbraw/zinc/86/62/34/531866234.db2.gz FUPOPSJLCRBLNP-NSHDSACASA-N 1 0 388.331 1.901 20 0 GDADRO COCCN1CCC[C@@H]1CNS(=O)(=O)c1cccnc1OCC(F)F ZINC000624953005 531866952 /nfs/dbraw/zinc/86/69/52/531866952.db2.gz WLFREGIRZUQUBQ-GFCCVEGCSA-N 1 0 379.429 1.115 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000595119002 531866946 /nfs/dbraw/zinc/86/69/46/531866946.db2.gz XSGHFIVUZWYFRP-UHFFFAOYSA-N 1 0 389.271 1.348 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000595151667 531868012 /nfs/dbraw/zinc/86/80/12/531868012.db2.gz HEBPAWDWXDPWJW-UHFFFAOYSA-N 1 0 398.257 1.194 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000418943539 531868952 /nfs/dbraw/zinc/86/89/52/531868952.db2.gz ZVFHCVPTTOBFCZ-QWRGUYRKSA-N 1 0 388.331 1.770 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCCOc1cccc(Br)c1)C1CCCC1 ZINC000418944266 531868971 /nfs/dbraw/zinc/86/89/71/531868971.db2.gz IGRAQIMYHSSOGW-HNNXBMFYSA-N 1 0 398.301 1.578 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)[C@@H](C)C[NH2+]1 ZINC000418852952 531856149 /nfs/dbraw/zinc/85/61/49/531856149.db2.gz WIWLSOGKIDEWOZ-QWRGUYRKSA-N 1 0 386.265 1.456 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270288779 531856512 /nfs/dbraw/zinc/85/65/12/531856512.db2.gz WMKGNJGQUSZTRV-UKRRQHHQSA-N 1 0 385.555 1.605 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000418858445 531856547 /nfs/dbraw/zinc/85/65/47/531856547.db2.gz WADZVZBUEBXHPO-CWRNSKLLSA-N 1 0 394.313 1.960 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCCC[NH2+]C(C)C)c(C)s1 ZINC000563610753 531857256 /nfs/dbraw/zinc/85/72/56/531857256.db2.gz KJASLCSFQKFGGD-UHFFFAOYSA-N 1 0 376.548 1.331 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418864810 531857989 /nfs/dbraw/zinc/85/79/89/531857989.db2.gz LBTFOHKEHRFOAQ-CHWSQXEVSA-N 1 0 395.301 1.012 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418872617 531858315 /nfs/dbraw/zinc/85/83/15/531858315.db2.gz WYMMQAPWPOVNPS-STQMWFEESA-N 1 0 397.317 1.116 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000418872614 531859259 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20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000563811565 531863714 /nfs/dbraw/zinc/86/37/14/531863714.db2.gz AVSUWCKLMGIJBU-JTQLQIEISA-N 1 0 382.313 1.761 20 0 GDADRO O=C(NCC1(c2ccccc2Br)CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642742707 531863745 /nfs/dbraw/zinc/86/37/45/531863745.db2.gz AKERNBIZOWLOLU-CYBMUJFWSA-N 1 0 394.313 1.855 20 0 GDADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000563805016 531863973 /nfs/dbraw/zinc/86/39/73/531863973.db2.gz LFWZQSLRUXMNEG-ZBFHGGJFSA-N 1 0 380.286 1.826 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000283504438 531869289 /nfs/dbraw/zinc/86/92/89/531869289.db2.gz VNJSUGNFGRATIC-VIFPVBQESA-N 1 0 390.303 1.228 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000270404335 531864762 /nfs/dbraw/zinc/86/47/62/531864762.db2.gz GEUNLQSJVRXTCI-KBPBESRZSA-N 1 0 396.285 1.381 20 0 GDADRO CS(=O)(=O)NCCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595004243 531864858 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GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(I)cn1 ZINC000455502996 531872930 /nfs/dbraw/zinc/87/29/30/531872930.db2.gz CAPSPQIHAPPCBJ-NSHDSACASA-N 1 0 388.253 1.052 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)C1 ZINC000418966030 531873433 /nfs/dbraw/zinc/87/34/33/531873433.db2.gz MLBYUWIXLGLRST-LBPRGKRZSA-N 1 0 383.279 1.954 20 0 GDADRO CC(C)OC[C@H]([NH3+])C(=O)NCCOc1ccc(I)cc1 ZINC000595252084 531873594 /nfs/dbraw/zinc/87/35/94/531873594.db2.gz AMMPGGNFFOLEKW-ZDUSSCGKSA-N 1 0 392.237 1.539 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000368006929 531884614 /nfs/dbraw/zinc/88/46/14/531884614.db2.gz OYDQLBHFLUJDDP-ZIAGYGMSSA-N 1 0 385.258 1.630 20 0 GDADRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000270474850 531876272 /nfs/dbraw/zinc/87/62/72/531876272.db2.gz MLAYBGFQJMIUIN-HOTGVXAUSA-N 1 0 385.555 1.411 20 0 GDADRO N[C@H](C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000566066204 531877173 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CC(C)NS(=O)(=O)CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000283628399 531880328 /nfs/dbraw/zinc/88/03/28/531880328.db2.gz BGRGZGNXLUCTSS-OAHLLOKOSA-N 1 0 390.937 1.570 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419015728 531880519 /nfs/dbraw/zinc/88/05/19/531880519.db2.gz CHTQWDBDSLIMLI-DGCLKSJQSA-N 1 0 382.258 1.209 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)c2cc(Cl)sc2S(N)(=O)=O)CC1 ZINC000283626036 531880697 /nfs/dbraw/zinc/88/06/97/531880697.db2.gz ZYRFGCFDMLCXAC-UHFFFAOYSA-N 1 0 379.935 1.901 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419021403 531881242 /nfs/dbraw/zinc/88/12/42/531881242.db2.gz MAVISZFDAFBIMS-GXTWGEPZSA-N 1 0 396.285 1.599 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000283644323 531881406 /nfs/dbraw/zinc/88/14/06/531881406.db2.gz AVJSKBAJQHRCKY-NSHDSACASA-N 1 0 388.331 1.975 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419017915 531881775 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1.933 20 0 GDADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000455423459 531870399 /nfs/dbraw/zinc/87/03/99/531870399.db2.gz ADVMQQHPTQLFFK-ZDUSSCGKSA-N 1 0 388.921 1.306 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419051013 531891223 /nfs/dbraw/zinc/89/12/23/531891223.db2.gz FOGMVISBRUDAHD-BZPMIXESSA-N 1 0 382.302 1.740 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419052421 531892473 /nfs/dbraw/zinc/89/24/73/531892473.db2.gz HUQHNKXIJXAEML-YNEHKIRRSA-N 1 0 382.302 1.705 20 0 GDADRO O=S(=O)([N-]CC(F)(F)F)N1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368102648 531892610 /nfs/dbraw/zinc/89/26/10/531892610.db2.gz ZJYFTELQNYDIEK-HUUCEWRRSA-N 1 0 377.432 1.837 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419052372 531892870 /nfs/dbraw/zinc/89/28/70/531892870.db2.gz HQXDGRXMEJUACZ-JSGCOSHPSA-N 1 0 382.302 1.694 20 0 GDADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000368108190 531892938 /nfs/dbraw/zinc/89/29/38/531892938.db2.gz IWXJZIAUKRKKRG-LBPRGKRZSA-N 1 0 377.495 1.771 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419051288 531892958 /nfs/dbraw/zinc/89/29/58/531892958.db2.gz FUQFAPKPHMGYKZ-HCKVZZMMSA-N 1 0 398.276 1.456 20 0 GDADRO C[C@@H]1CCSCC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000298488776 531894120 /nfs/dbraw/zinc/89/41/20/531894120.db2.gz JLIDZTHIIBPJCJ-CQSZACIVSA-N 1 0 385.555 1.210 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)CC[NH2+]1 ZINC000419057116 531894857 /nfs/dbraw/zinc/89/48/57/531894857.db2.gz TUKVQGQLFSDUHD-MWLCHTKSSA-N 1 0 388.693 1.975 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(Br)cs1 ZINC000283790102 531895225 /nfs/dbraw/zinc/89/52/25/531895225.db2.gz GMRYKIPFUDALMX-UHFFFAOYSA-N 1 0 392.319 1.163 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Cl ZINC000298503858 531895499 /nfs/dbraw/zinc/89/54/99/531895499.db2.gz OXZLWDHYUKBVKY-GJZGRUSLSA-N 1 0 385.917 1.947 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1sc2c(c1Br)CNC2 ZINC000595948910 531895558 /nfs/dbraw/zinc/89/55/58/531895558.db2.gz CKVDVBBGNFOYFB-SECBINFHSA-N 1 0 388.287 1.091 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419063616 531895921 /nfs/dbraw/zinc/89/59/21/531895921.db2.gz GSQNTHKCVUHXNL-CYBMUJFWSA-N 1 0 388.693 1.977 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419059401 531896657 /nfs/dbraw/zinc/89/66/57/531896657.db2.gz XWEVIARMDNNPRE-CYBMUJFWSA-N 1 0 394.313 1.922 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)C[C@H]1[NH+](C)C ZINC000270581605 531897545 /nfs/dbraw/zinc/89/75/45/531897545.db2.gz QWGQPZTZZVFZLD-HUUCEWRRSA-N 1 0 375.491 1.450 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000567572743 531897610 /nfs/dbraw/zinc/89/76/10/531897610.db2.gz XHXCJNISUCXPLN-ZBFHGGJFSA-N 1 0 396.333 1.231 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000647732808 531897752 /nfs/dbraw/zinc/89/77/52/531897752.db2.gz ZIBXDPQNGUZUAH-SECBINFHSA-N 1 0 399.822 1.444 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419075845 531898036 /nfs/dbraw/zinc/89/80/36/531898036.db2.gz GMUPIGVKSZYKBT-CYBMUJFWSA-N 1 0 394.313 1.713 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674432337 531898720 /nfs/dbraw/zinc/89/87/20/531898720.db2.gz JNZJJDHKRKNNKW-GARJFASQSA-N 1 0 376.345 1.614 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1)C1CC1 ZINC000419081003 531898932 /nfs/dbraw/zinc/89/89/32/531898932.db2.gz QXHGGKAZSHYHQV-CQSZACIVSA-N 1 0 380.286 1.450 20 0 GDADRO CN(C)S(=O)(=O)N1CCCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000368026778 531885242 /nfs/dbraw/zinc/88/52/42/531885242.db2.gz RFOPJJFJISSUFS-UHFFFAOYSA-N 1 0 394.310 1.902 20 0 GDADRO CC[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419039402 531886127 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O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000419921120 531986263 /nfs/dbraw/zinc/98/62/63/531986263.db2.gz XQWPVNUXSQIBIU-GFCCVEGCSA-N 1 0 380.286 1.450 20 0 GDADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000419925865 531986447 /nfs/dbraw/zinc/98/64/47/531986447.db2.gz UANPOHCLPCIYJQ-ZDUSSCGKSA-N 1 0 388.295 1.430 20 0 GDADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000419927855 531986555 /nfs/dbraw/zinc/98/65/55/531986555.db2.gz WRWTXTNTRQRNGU-ZDUSSCGKSA-N 1 0 394.313 1.881 20 0 GDADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000573558170 531987021 /nfs/dbraw/zinc/98/70/21/531987021.db2.gz DIPSBBQXGFUQFZ-ZWNOBZJWSA-N 1 0 385.237 1.936 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000419946922 531989494 /nfs/dbraw/zinc/98/94/94/531989494.db2.gz VYXWAWWXUBKTSB-VIFPVBQESA-N 1 0 388.693 1.698 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1Cc2cc(Br)ccc2C[C@H]1C ZINC000419949869 531989846 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GDADRO O=C(COc1ccc(Br)cn1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000630848156 531994996 /nfs/dbraw/zinc/99/49/96/531994996.db2.gz XDYVJKDXYHDTIS-OAHLLOKOSA-N 1 0 398.301 1.936 20 0 GDADRO COc1cc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c(F)cc1Br ZINC000631100526 531999534 /nfs/dbraw/zinc/99/95/34/531999534.db2.gz XMKRMUMDJFOVMO-JTQLQIEISA-N 1 0 395.294 1.968 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000370673846 531999773 /nfs/dbraw/zinc/99/97/73/531999773.db2.gz QFXBWMFXUQZJCG-MNOVXSKESA-N 1 0 375.288 1.688 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(F)ccc1I ZINC000420042887 531999854 /nfs/dbraw/zinc/99/98/54/531999854.db2.gz NVZIVBIUVKUBAC-CQSZACIVSA-N 1 0 394.228 1.863 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657085589 532000258 /nfs/dbraw/zinc/00/02/58/532000258.db2.gz OFXUONXHMSSRHP-CQSZACIVSA-N 1 0 384.889 1.119 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000420109626 532002468 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ZINC000575248687 532010791 /nfs/dbraw/zinc/01/07/91/532010791.db2.gz PILVXGMOXQVLEK-LBPRGKRZSA-N 1 0 376.881 1.587 20 0 GDADRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000420449649 532014245 /nfs/dbraw/zinc/01/42/45/532014245.db2.gz AGOIQAGMDRAKAD-HNNXBMFYSA-N 1 0 383.495 1.026 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000420447506 532014399 /nfs/dbraw/zinc/01/43/99/532014399.db2.gz CSIZNIFHAITJDF-YPMHNXCESA-N 1 0 384.889 1.940 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000271462440 532017566 /nfs/dbraw/zinc/01/75/66/532017566.db2.gz KJCCBECRRCILSL-AWEZNQCLSA-N 1 0 389.949 1.994 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000420453031 532015745 /nfs/dbraw/zinc/01/57/45/532015745.db2.gz UBBJETPJIBZYJM-UHFFFAOYSA-N 1 0 389.543 1.649 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1F ZINC000599245629 532018299 /nfs/dbraw/zinc/01/82/99/532018299.db2.gz VAHVFCRPOYUCDP-GXFFZTMASA-N 1 0 376.425 1.712 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)CCCC[NH+](C)C ZINC000576260076 532020390 /nfs/dbraw/zinc/02/03/90/532020390.db2.gz UPZYGSQROMKHRK-UHFFFAOYSA-N 1 0 375.922 1.775 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2cccc(I)c2)C1 ZINC000420464369 532019672 /nfs/dbraw/zinc/01/96/72/532019672.db2.gz XMRWKHRNSDLVTJ-ONGXEEELSA-N 1 0 380.251 1.697 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000420468913 532020554 /nfs/dbraw/zinc/02/05/54/532020554.db2.gz HYWXKUZUSIJWCH-VIFPVBQESA-N 1 0 397.266 1.335 20 0 GDADRO CCCOc1ccc(Br)cc1C[NH2+]CCNS(=O)(=O)N(C)C ZINC000459536385 532020935 /nfs/dbraw/zinc/02/09/35/532020935.db2.gz LJOFHKLBRWBYRG-UHFFFAOYSA-N 1 0 394.335 1.724 20 0 GDADRO COC(=O)CCCCCS(=O)(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420483384 532021406 /nfs/dbraw/zinc/02/14/06/532021406.db2.gz WEJCHBVYMCSNFI-WBVHZDCISA-N 1 0 376.519 1.268 20 0 GDADRO O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1CCc2c1ccc(F)c2Br ZINC000576492863 532022502 /nfs/dbraw/zinc/02/25/02/532022502.db2.gz PBTGAPPIWFOWAB-ZDUSSCGKSA-N 1 0 399.264 1.307 20 0 GDADRO CCNC(=O)C(C)(C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000459595494 532023294 /nfs/dbraw/zinc/02/32/94/532023294.db2.gz NCOWNMWILWXTIH-LBPRGKRZSA-N 1 0 377.254 1.832 20 0 GDADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000285056659 532025851 /nfs/dbraw/zinc/02/58/51/532025851.db2.gz FFILBBMNZUXBKK-GFCCVEGCSA-N 1 0 381.274 1.869 20 0 GDADRO COCCNC(=O)C1(NCc2ncc(I)s2)CC1 ZINC000459759804 532027988 /nfs/dbraw/zinc/02/79/88/532027988.db2.gz RVYAEFLRTQQYDM-UHFFFAOYSA-N 1 0 381.239 1.133 20 0 GDADRO COc1cc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)ccc1S(C)(=O)=O ZINC000271555367 532026185 /nfs/dbraw/zinc/02/61/85/532026185.db2.gz WOIOBHIPLOSLJM-LBPRGKRZSA-N 1 0 375.512 1.574 20 0 GDADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000632408644 532026202 /nfs/dbraw/zinc/02/62/02/532026202.db2.gz PMJSYPNYNGZBSN-UHFFFAOYSA-N 1 0 389.905 1.309 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000285071970 532026583 /nfs/dbraw/zinc/02/65/83/532026583.db2.gz OPUUDDDPSYLKQK-IJLUTSLNSA-N 1 0 385.559 1.359 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000285073514 532026759 /nfs/dbraw/zinc/02/67/59/532026759.db2.gz MAYUPAKDEYHVQI-LBPRGKRZSA-N 1 0 382.302 1.707 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc([S@](C)=O)c(F)c2)CCSC1 ZINC000271620345 532032403 /nfs/dbraw/zinc/03/24/03/532032403.db2.gz IFCHUMALJSLSFZ-LMKMVOKYSA-N 1 0 387.502 1.055 20 0 GDADRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1cc(F)ccc1OC(F)F ZINC000420680712 532037227 /nfs/dbraw/zinc/03/72/27/532037227.db2.gz WTUNAJSXOHHIEO-UHFFFAOYSA-N 1 0 382.404 1.410 20 0 GDADRO CC[C@H](C)[C@@H](C)[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271653845 532036207 /nfs/dbraw/zinc/03/62/07/532036207.db2.gz GKVNGNKSPARGBM-UONOGXRCSA-N 1 0 392.543 1.815 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3cc(F)cc(Br)c3)CCN2C1=O ZINC000577412084 532036359 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O=C(Nc1ccc(Br)cn1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000373164203 532067811 /nfs/dbraw/zinc/06/78/11/532067811.db2.gz NJVRYXUKAXJWIZ-LBPRGKRZSA-N 1 0 381.274 1.916 20 0 GDADRO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000373245878 532071540 /nfs/dbraw/zinc/07/15/40/532071540.db2.gz SMTLQCAZBZDIHV-MAZHCROVSA-N 1 0 376.906 1.531 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CC[NH2+]CC1 ZINC000324598595 532073207 /nfs/dbraw/zinc/07/32/07/532073207.db2.gz GSNQVVZDQORSHA-UHFFFAOYSA-N 1 0 385.795 1.069 20 0 GDADRO O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(Cc1csc(Br)c1)C1CC1 ZINC000423466951 532075038 /nfs/dbraw/zinc/07/50/38/532075038.db2.gz YUMJLPPJQGLRJV-TXEJJXNPSA-N 1 0 398.326 1.679 20 0 GDADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000580412642 532073876 /nfs/dbraw/zinc/07/38/76/532073876.db2.gz QCIXRLXBUXLQTG-QGZVFWFLSA-N 1 0 385.917 1.899 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000423201004 532074066 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ZINC000602543823 532080275 /nfs/dbraw/zinc/08/02/75/532080275.db2.gz LLGOSCJABTVRAH-QGZVFWFLSA-N 1 0 383.286 1.965 20 0 GDADRO COC(=O)[C@@]1(NC(=O)C[C@@H]2CC[NH2+]C2)CCc2cc(Br)ccc2C1 ZINC000602543962 532080396 /nfs/dbraw/zinc/08/03/96/532080396.db2.gz NOWLJGBEJUYSGC-KPZWWZAWSA-N 1 0 395.297 1.965 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)C1 ZINC000423730624 532080463 /nfs/dbraw/zinc/08/04/63/532080463.db2.gz WRIYFQBITXDNRS-HOTGVXAUSA-N 1 0 394.313 1.932 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)CCN2C1=O ZINC000602527617 532078684 /nfs/dbraw/zinc/07/86/84/532078684.db2.gz RHTUVUDRZJUWRP-CSOUEMRRSA-N 1 0 390.281 1.105 20 0 GDADRO C[S@](=O)C1(C(=O)NCCNc2cccc(Br)c2)CC[NH2+]CC1 ZINC000602505416 532078970 /nfs/dbraw/zinc/07/89/70/532078970.db2.gz YIALBUOYXXEDKC-QFIPXVFZSA-N 1 0 388.331 1.478 20 0 GDADRO COC(=O)[C@@]1(NC(=O)C[NH2+]C2CC2)CCc2cc(Br)ccc2C1 ZINC000602543977 532079739 /nfs/dbraw/zinc/07/97/39/532079739.db2.gz NRSRTESDFJCCFM-QGZVFWFLSA-N 1 0 381.270 1.718 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000423714017 532079779 /nfs/dbraw/zinc/07/97/79/532079779.db2.gz RLDFEUOTQUCEDQ-UHFFFAOYSA-N 1 0 397.317 1.166 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000423747789 532080722 /nfs/dbraw/zinc/08/07/22/532080722.db2.gz PZMPDPZQBJLNKR-JTQLQIEISA-N 1 0 383.164 1.975 20 0 GDADRO [NH3+][C@H]1Cc2ccccc2N(C(=O)CCn2cc(Br)ccc2=O)C1 ZINC000424075895 532082791 /nfs/dbraw/zinc/08/27/91/532082791.db2.gz MSYVEEYXPSYRLI-AWEZNQCLSA-N 1 0 376.254 1.918 20 0 GDADRO COCCOCC[N@H+](CCO)Cc1ccc(I)s1 ZINC000602721644 532081885 /nfs/dbraw/zinc/08/18/85/532081885.db2.gz RYANFJSYVWXKCH-UHFFFAOYSA-N 1 0 385.267 1.810 20 0 GDADRO O=S(=O)(Cc1ccon1)NCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424148744 532084171 /nfs/dbraw/zinc/08/41/71/532084171.db2.gz UZQQKLDPYOZYDA-UHFFFAOYSA-N 1 0 375.353 1.205 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2nc(C(F)F)no2)C1 ZINC000424148459 532084195 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GDADRO CN1CCO[C@H]2CCN(C(=O)NCCc3nc(C(F)(F)F)cs3)C[C@H]21 ZINC000285551134 532093894 /nfs/dbraw/zinc/09/38/94/532093894.db2.gz VEGIJRRJGAZGGR-MNOVXSKESA-N 1 0 378.420 1.819 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3Br)C[C@H]2[NH3+])cn1 ZINC000424450754 532094705 /nfs/dbraw/zinc/09/47/05/532094705.db2.gz YQRQJQVIAHFJEC-WCQYABFASA-N 1 0 392.257 1.074 20 0 GDADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)c1 ZINC000424472073 532095169 /nfs/dbraw/zinc/09/51/69/532095169.db2.gz UKHFTLFLKFUEJE-UHFFFAOYSA-N 1 0 381.479 1.174 20 0 GDADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603909552 532096493 /nfs/dbraw/zinc/09/64/93/532096493.db2.gz CKCFMCLKRDKJAH-WOPDTQHZSA-N 1 0 385.249 1.769 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000373885706 532101476 /nfs/dbraw/zinc/10/14/76/532101476.db2.gz MTGOOBCMOLYRME-SMDDNHRTSA-N 1 0 388.331 1.888 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1Cl ZINC000272524555 532103570 /nfs/dbraw/zinc/10/35/70/532103570.db2.gz QGZZEVHQRGNURI-WFASDCNBSA-N 1 0 385.917 1.757 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272549777 532104662 /nfs/dbraw/zinc/10/46/62/532104662.db2.gz CVLGKHKVDGATBS-BLLLJJGKSA-N 1 0 385.917 1.757 20 0 GDADRO Cc1cc(Cl)ccc1OCCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000285689280 532105083 /nfs/dbraw/zinc/10/50/83/532105083.db2.gz OHSVXKBDDGPGHZ-UHFFFAOYSA-N 1 0 388.917 1.700 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCc1cc(F)cc(Br)c1)[N@H+](C)C1CC1 ZINC000285691404 532106121 /nfs/dbraw/zinc/10/61/21/532106121.db2.gz XLNRCZRIYNUFDD-SNVBAGLBSA-N 1 0 386.265 1.803 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272676175 532109601 /nfs/dbraw/zinc/10/96/01/532109601.db2.gz UQCSSLMCNXDNLV-WOSRLPQWSA-N 1 0 385.917 1.559 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1sccc1Br ZINC000285857582 532117120 /nfs/dbraw/zinc/11/71/20/532117120.db2.gz KCWYYXXUHYKIDY-SNVBAGLBSA-N 1 0 376.320 1.973 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285904371 532119499 /nfs/dbraw/zinc/11/94/99/532119499.db2.gz SYLVHNCLXKFLMV-UONOGXRCSA-N 1 0 384.274 1.706 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)[N-]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000272871368 532119842 /nfs/dbraw/zinc/11/98/42/532119842.db2.gz OTDUVKCDFIDAPZ-TXEJJXNPSA-N 1 0 391.515 1.097 20 0 GDADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cn4ccc(Br)cc4n3)[C@H]2C1 ZINC000285930796 532122035 /nfs/dbraw/zinc/12/20/35/532122035.db2.gz OTRRWVFTYFHELM-UONOGXRCSA-N 1 0 379.258 1.642 20 0 GDADRO O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000374185926 532113684 /nfs/dbraw/zinc/11/36/84/532113684.db2.gz ZXWZLBLVOQTXEV-GFCCVEGCSA-N 1 0 379.404 1.399 20 0 GDADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cncc(Cl)c1 ZINC000272774834 532114060 /nfs/dbraw/zinc/11/40/60/532114060.db2.gz NDYDARUFKQXRFK-INIZCTEOSA-N 1 0 381.885 1.780 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000286257382 532139134 /nfs/dbraw/zinc/13/91/34/532139134.db2.gz POIWAQQYMQANSZ-AWEZNQCLSA-N 1 0 397.317 1.164 20 0 GDADRO CCC[C@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)s2)CC[N@@H+]1CCOC ZINC000425426743 532139305 /nfs/dbraw/zinc/13/93/05/532139305.db2.gz WNLGWNMZSIOIQK-HNNXBMFYSA-N 1 0 389.587 1.931 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2c(F)cc(C)cc2F)CC1 ZINC000425189501 532125161 /nfs/dbraw/zinc/12/51/61/532125161.db2.gz STESLCRWTHEMGW-UHFFFAOYSA-N 1 0 375.485 1.968 20 0 GDADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000273059079 532131000 /nfs/dbraw/zinc/13/10/00/532131000.db2.gz LBEXHWLGVHDFQR-JTQLQIEISA-N 1 0 382.258 1.946 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000425234762 532131540 /nfs/dbraw/zinc/13/15/40/532131540.db2.gz HTIDJDFSQCOPEK-CYBMUJFWSA-N 1 0 387.933 1.807 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1Br ZINC000273066604 532132253 /nfs/dbraw/zinc/13/22/53/532132253.db2.gz USIPBJNZGIUDKM-JTQLQIEISA-N 1 0 390.303 1.039 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000330918715 532133405 /nfs/dbraw/zinc/13/34/05/532133405.db2.gz NIIQBOVHORGOHA-INIZCTEOSA-N 1 0 375.535 1.313 20 0 GDADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000273125613 532135342 /nfs/dbraw/zinc/13/53/42/532135342.db2.gz SBSXOLZQYOBQPC-AWEZNQCLSA-N 1 0 389.543 1.138 20 0 GDADRO O=C(c1ncc(Br)cc1Br)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000331836965 532153078 /nfs/dbraw/zinc/15/30/78/532153078.db2.gz SELXMBHGJKXLPF-VHSXEESVSA-N 1 0 391.063 1.419 20 0 GDADRO CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1 ZINC000273523827 532153618 /nfs/dbraw/zinc/15/36/18/532153618.db2.gz QBRTZEMPJRFNJZ-CVEARBPZSA-N 1 0 383.539 1.247 20 0 GDADRO CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1 ZINC000273523829 532153714 /nfs/dbraw/zinc/15/37/14/532153714.db2.gz QBRTZEMPJRFNJZ-HZPDHXFCSA-N 1 0 383.539 1.247 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000331456048 532144778 /nfs/dbraw/zinc/14/47/78/532144778.db2.gz ANLAMQWQCWNEKK-BYCMXARLSA-N 1 0 380.286 1.918 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)Nc2cnc3c(Br)cccn23)n1 ZINC000425672114 532145170 /nfs/dbraw/zinc/14/51/70/532145170.db2.gz KEGBJZLFPWYCKW-UHFFFAOYSA-N 1 0 392.261 2.499 20 0 GDADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000273686778 532165107 /nfs/dbraw/zinc/16/51/07/532165107.db2.gz LBRCYDZZGRCLIJ-LSDHHAIUSA-N 1 0 386.543 1.412 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000332158756 532167547 /nfs/dbraw/zinc/16/75/47/532167547.db2.gz NFXRFGAHNMRGGF-QWRGUYRKSA-N 1 0 398.276 1.669 20 0 GDADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000286663674 532167695 /nfs/dbraw/zinc/16/76/95/532167695.db2.gz KFNXSELKSXUHSM-QWHCGFSZSA-N 1 0 376.906 1.984 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000332170064 532168288 /nfs/dbraw/zinc/16/82/88/532168288.db2.gz KWVOJWUUNGYCGS-BBRMVZONSA-N 1 0 385.917 1.561 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000332176639 532168358 /nfs/dbraw/zinc/16/83/58/532168358.db2.gz MIMAYWJLZZQKPX-XJKSGUPXSA-N 1 0 385.917 1.561 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000332184946 532169193 /nfs/dbraw/zinc/16/91/93/532169193.db2.gz NZGRTHKBIMHJSL-GXTWGEPZSA-N 1 0 399.314 1.606 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000331917447 532156230 /nfs/dbraw/zinc/15/62/30/532156230.db2.gz ZQDJRDJUBOLWLL-ZDUSSCGKSA-N 1 0 398.305 1.943 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)CC2=O)ccc1Br ZINC000332091910 532163516 /nfs/dbraw/zinc/16/35/16/532163516.db2.gz AJLZOBQXARCXBU-JMSVASOKSA-N 1 0 380.286 1.916 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N3CC[C@H]([NH3+])[C@@H]3C)C2=O)ccc1Br ZINC000332096845 532164151 /nfs/dbraw/zinc/16/41/51/532164151.db2.gz AVLMDXGPYDNBRM-TUKIKUTGSA-N 1 0 395.301 1.994 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)CC2 ZINC000332435979 532185695 /nfs/dbraw/zinc/18/56/95/532185695.db2.gz ATYVZOXJQZHHCD-WBMJQRKESA-N 1 0 394.313 1.756 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ncc1Br ZINC000332381935 532183563 /nfs/dbraw/zinc/18/35/63/532183563.db2.gz VFUJQIBSUGQVLO-GVXVVHGQSA-N 1 0 381.274 1.677 20 0 GDADRO O=C(CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Nc1ccccc1Br ZINC000375814601 532184780 /nfs/dbraw/zinc/18/47/80/532184780.db2.gz NFVNWZYPMGLGEY-HZPDHXFCSA-N 1 0 382.302 1.919 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000286750422 532173235 /nfs/dbraw/zinc/17/32/35/532173235.db2.gz PAJYUQKERBGTCT-JTQLQIEISA-N 1 0 377.894 1.279 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[N@@H+]1C ZINC000332270676 532176353 /nfs/dbraw/zinc/17/63/53/532176353.db2.gz APAUKSOMEMIYQW-JQWIXIFHSA-N 1 0 394.269 1.644 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000332504244 532191051 /nfs/dbraw/zinc/19/10/51/532191051.db2.gz SGLGOPQXKSEBSD-ABAIWWIYSA-N 1 0 380.286 1.448 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3cccc(Br)c3C2)CC[NH2+]1 ZINC000332520595 532192192 /nfs/dbraw/zinc/19/21/92/532192192.db2.gz YZLHUKOIEPMIMH-WCQYABFASA-N 1 0 380.286 1.591 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NCCCCC[NH+]2CCCCC2)s1 ZINC000287038635 532192601 /nfs/dbraw/zinc/19/26/01/532192601.db2.gz SSPRJDCPWVAAHK-UHFFFAOYSA-N 1 0 385.559 1.649 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332550523 532194668 /nfs/dbraw/zinc/19/46/68/532194668.db2.gz JLHNVNFRNOTBGL-IUCAKERBSA-N 1 0 388.212 1.734 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000287115864 532196648 /nfs/dbraw/zinc/19/66/48/532196648.db2.gz ZSGXGPMFZBWNMW-CYBMUJFWSA-N 1 0 389.543 1.136 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)CC[NH2+]1 ZINC000332439166 532186808 /nfs/dbraw/zinc/18/68/08/532186808.db2.gz BJRTXMWPYTVNPS-WQGACYEGSA-N 1 0 394.313 1.979 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000332443873 532187047 /nfs/dbraw/zinc/18/70/47/532187047.db2.gz CTHSJIZZNUIDJV-XHDPSFHLSA-N 1 0 380.286 1.448 20 0 GDADRO CS[C@@H]1CN(CC(=O)NC(=O)NCc2cccs2)C[C@@H]1[NH+]1CCCC1 ZINC000274125934 532187709 /nfs/dbraw/zinc/18/77/09/532187709.db2.gz VQCGMPAEJIZTRQ-LSDHHAIUSA-N 1 0 382.555 1.586 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCSC[C@H]2c2nccs2)C1 ZINC000287182472 532200859 /nfs/dbraw/zinc/20/08/59/532200859.db2.gz NOOOXALAJGRESQ-MCIONIFRSA-N 1 0 382.555 1.749 20 0 GDADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000286991856 532189187 /nfs/dbraw/zinc/18/91/87/532189187.db2.gz PDUNZWIYGIYSKZ-GFCCVEGCSA-N 1 0 387.311 1.314 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375962901 532190274 /nfs/dbraw/zinc/19/02/74/532190274.db2.gz HYTOMEIYLHJATQ-SWLSCSKDSA-N 1 0 379.507 1.418 20 0 GDADRO COCCCS(=O)(=O)NCC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000428420106 532207234 /nfs/dbraw/zinc/20/72/34/532207234.db2.gz HLVATJOGVNCTJJ-UHFFFAOYSA-N 1 0 377.551 1.055 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000428557409 532211058 /nfs/dbraw/zinc/21/10/58/532211058.db2.gz CJRCMFOODGCTAC-UHFFFAOYSA-N 1 0 392.319 1.306 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cn1 ZINC000274442450 532211246 /nfs/dbraw/zinc/21/12/46/532211246.db2.gz GVTIDAZYRMMAHU-AWEZNQCLSA-N 1 0 382.511 1.426 20 0 GDADRO COCCOCCOCCC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000274436065 532211458 /nfs/dbraw/zinc/21/14/58/532211458.db2.gz TVWSUBHCIHLWAR-UHFFFAOYSA-N 1 0 379.906 1.903 20 0 GDADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(C3(C)OCCO3)cc2)CCSC1 ZINC000274502765 532214353 /nfs/dbraw/zinc/21/43/53/532214353.db2.gz VIQMDIWIEYAZNL-QGZVFWFLSA-N 1 0 386.539 1.622 20 0 GDADRO CN(C(=O)c1n[nH]c2ccc(I)cc21)C1CC[NH2+]CC1 ZINC000428317343 532202418 /nfs/dbraw/zinc/20/24/18/532202418.db2.gz WNZQJCGAJLIMOU-UHFFFAOYSA-N 1 0 384.221 1.992 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000332661456 532203925 /nfs/dbraw/zinc/20/39/25/532203925.db2.gz KQBNPVCZBRAARN-TZMCWYRMSA-N 1 0 380.286 1.585 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000428383858 532204363 /nfs/dbraw/zinc/20/43/63/532204363.db2.gz SONUPQMAKLPEEB-MRVPVSSYSA-N 1 0 380.164 1.966 20 0 GDADRO COC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1cccc(C(F)(F)F)c1 ZINC000429447509 532228460 /nfs/dbraw/zinc/22/84/60/532228460.db2.gz HTLCGLOXIIFSES-CQSZACIVSA-N 1 0 383.436 1.815 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000429449897 532228743 /nfs/dbraw/zinc/22/87/43/532228743.db2.gz KTDCOCXGUJWUOO-AWEZNQCLSA-N 1 0 381.420 1.995 20 0 GDADRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C ZINC000429429574 532228791 /nfs/dbraw/zinc/22/87/91/532228791.db2.gz SVBXXYJNYUTAPD-ZDUSSCGKSA-N 1 0 390.937 1.788 20 0 GDADRO CC(=O)NCc1ccc(-c2nc(NC(=O)COC3C[NH2+]C3)sc2C)s1 ZINC000429671973 532231436 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20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000376595723 532221124 /nfs/dbraw/zinc/22/11/24/532221124.db2.gz QHTRQWFZQQVDJS-UHFFFAOYSA-N 1 0 385.917 1.995 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cn4cc(Br)cn4)on3)C[C@@H]21 ZINC000333164232 532222640 /nfs/dbraw/zinc/22/26/40/532222640.db2.gz HYJZFRCRNIYTCU-YGRLFVJLSA-N 1 0 380.246 1.458 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)s1 ZINC000376682966 532224078 /nfs/dbraw/zinc/22/40/78/532224078.db2.gz WVJALQIQHPGDJE-SOUVJXGZSA-N 1 0 383.539 1.420 20 0 GDADRO CC(=O)N1CCC([N@H+](CCCS(=O)(=O)N(C)C)Cc2cncs2)CC1 ZINC000429128879 532224096 /nfs/dbraw/zinc/22/40/96/532224096.db2.gz QELRMKNCGYAILW-UHFFFAOYSA-N 1 0 388.559 1.238 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000429168178 532224802 /nfs/dbraw/zinc/22/48/02/532224802.db2.gz BGEXHPGDUVTBJZ-ZDUSSCGKSA-N 1 0 392.319 1.217 20 0 GDADRO C[C@@H]1CN(C(=O)CCN2c3ccc(Br)cc3OCC2=O)CC[C@H]1[NH3+] ZINC000429185678 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/nfs/dbraw/zinc/87/33/53/598873353.db2.gz VOBKYNWQWZZGDN-HOTGVXAUSA-N 1 0 396.451 1.247 20 0 GDADRO COC(=O)[C@H]1CC12CC[NH+]([C@H]1CCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000736910300 598873412 /nfs/dbraw/zinc/87/34/12/598873412.db2.gz VOBKYNWQWZZGDN-CVEARBPZSA-N 1 0 396.451 1.247 20 0 GDADRO COc1cc(C)nc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000737040844 598896352 /nfs/dbraw/zinc/89/63/52/598896352.db2.gz QOEADFHYGVRTBB-UHFFFAOYSA-N 1 0 380.456 1.686 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736409503 599293223 /nfs/dbraw/zinc/29/32/23/599293223.db2.gz WBSGFQROJMCMOU-CVEARBPZSA-N 1 0 376.486 1.255 20 0 GDADRO CN(C)c1nccc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000736780014 598934901 /nfs/dbraw/zinc/93/49/01/598934901.db2.gz RHGLJEMVRAXSCI-UHFFFAOYSA-N 1 0 379.472 1.435 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000737296761 598958043 /nfs/dbraw/zinc/95/80/43/598958043.db2.gz OHIODUHJPBOZMK-GJZGRUSLSA-N 1 0 376.486 1.422 20 0 GDADRO OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392719 599011586 /nfs/dbraw/zinc/01/15/86/599011586.db2.gz GXFSTZODYQQGAC-PMACEKPBSA-N 1 0 378.480 1.839 20 0 GDADRO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000737074068 599073214 /nfs/dbraw/zinc/07/32/14/599073214.db2.gz DPGHEUZPVFKJKK-SJLPKXTDSA-N 1 0 378.436 1.891 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736857492 599080133 /nfs/dbraw/zinc/08/01/33/599080133.db2.gz OGCGLCMWUHCJBK-GOSISDBHSA-N 1 0 385.516 1.347 20 0 GDADRO CC1CCC([NH+]2CCN([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736240824 599082004 /nfs/dbraw/zinc/08/20/04/599082004.db2.gz LZXWAKUPAOZCCT-IUPXNIOVSA-N 1 0 383.500 1.589 20 0 GDADRO COc1ccc(COCCC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737096600 599097081 /nfs/dbraw/zinc/09/70/81/599097081.db2.gz CWIZVLAVJHINOF-GOSISDBHSA-N 1 0 396.451 1.598 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736292965 599102826 /nfs/dbraw/zinc/10/28/26/599102826.db2.gz SBGJTLNYGCUMAL-YGRLFVJLSA-N 1 0 391.863 1.257 20 0 GDADRO Cc1nc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc2nncn21 ZINC000737480324 599122857 /nfs/dbraw/zinc/12/28/57/599122857.db2.gz NNRSLDXQNAYLNH-UHFFFAOYSA-N 1 0 390.455 1.325 20 0 GDADRO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000736770699 599149655 /nfs/dbraw/zinc/14/96/55/599149655.db2.gz FGIPRNYQGYHLMX-UHFFFAOYSA-N 1 0 397.414 1.322 20 0 GDADRO C[NH+]1CCN(c2cc(C(=O)NCc3cc(-c4nn[nH]n4)ccc3F)ccn2)CC1 ZINC000821629038 599179240 /nfs/dbraw/zinc/17/92/40/599179240.db2.gz XHYPAGQQCRHHDY-UHFFFAOYSA-N 1 0 396.430 1.083 20 0 GDADRO CCOCC[N@@H+]1CCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1CC ZINC000736617268 599201621 /nfs/dbraw/zinc/20/16/21/599201621.db2.gz BZAACGNWDOQLRX-SFHVURJKSA-N 1 0 386.500 1.759 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1-c1nn[nH]n1 ZINC000822053018 607272330 /nfs/dbraw/zinc/27/23/30/607272330.db2.gz JETYKQVBFUOGEE-QWHCGFSZSA-N 1 0 385.472 1.493 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cccc1-c1nn[nH]n1 ZINC000822043707 607276718 /nfs/dbraw/zinc/27/67/18/607276718.db2.gz GOHQDCDIPTYOLC-HNNXBMFYSA-N 1 0 397.483 1.591 20 0 GDADRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)c1ccccc1 ZINC000736757542 599254251 /nfs/dbraw/zinc/25/42/51/599254251.db2.gz BZGQIZZTXJZYJD-MRXNPFEDSA-N 1 0 387.469 1.229 20 0 GDADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000823299303 599277693 /nfs/dbraw/zinc/27/76/93/599277693.db2.gz QUQANESHJGWSNF-LBPRGKRZSA-N 1 0 391.382 1.946 20 0 GDADRO C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1)C(C)(C)C[NH+](C)C ZINC000736119881 599278231 /nfs/dbraw/zinc/27/82/31/599278231.db2.gz SAUKZFFFBKWTLM-GFCCVEGCSA-N 1 0 397.487 1.341 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1)C1CC1 ZINC000736538090 599283214 /nfs/dbraw/zinc/28/32/14/599283214.db2.gz SNXLKOKPLHNSOP-UHFFFAOYSA-N 1 0 377.836 1.059 20 0 GDADRO CCn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736731938 599288528 /nfs/dbraw/zinc/28/85/28/599288528.db2.gz TVFOAFKGXNCBEW-SJORKVTESA-N 1 0 392.467 1.856 20 0 GDADRO CCCOc1cccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000821139127 607333845 /nfs/dbraw/zinc/33/38/45/607333845.db2.gz OWHYXTZRFXMKQE-HNNXBMFYSA-N 1 0 382.472 1.726 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820979340 607338811 /nfs/dbraw/zinc/33/88/11/607338811.db2.gz HACPVEDAJXNXTF-ZDUSSCGKSA-N 1 0 389.435 1.325 20 0 GDADRO C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@H+](C2CC2)C2CCCC2)C1=O ZINC000736224666 598233021 /nfs/dbraw/zinc/23/30/21/598233021.db2.gz UPLCUAVDBLRCKA-HXUWFJFHSA-N 1 0 395.467 1.998 20 0 GDADRO CC(C)C(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000735684978 598250678 /nfs/dbraw/zinc/25/06/78/598250678.db2.gz MXNHMXKMJURVMA-AWEZNQCLSA-N 1 0 385.472 1.432 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737159797 598255023 /nfs/dbraw/zinc/25/50/23/598255023.db2.gz PZCWWRXLEAAOOG-UHFFFAOYSA-N 1 0 380.412 1.624 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000736995236 598274031 /nfs/dbraw/zinc/27/40/31/598274031.db2.gz PKZTXMNTYWBKMI-QGZVFWFLSA-N 1 0 390.488 1.307 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736480399 598325864 /nfs/dbraw/zinc/32/58/64/598325864.db2.gz PCMPIDJHWGQWDA-UHFFFAOYSA-N 1 0 375.452 1.927 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000737023582 598332232 /nfs/dbraw/zinc/33/22/32/598332232.db2.gz NRJBKKHYZXHVAI-HNNXBMFYSA-N 1 0 386.456 1.341 20 0 GDADRO O[C@H](C[NH+]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)CC1)c1ccccc1 ZINC000738381366 598334812 /nfs/dbraw/zinc/33/48/12/598334812.db2.gz LAKGZJLTGWJMRJ-LJQANCHMSA-N 1 0 391.479 1.606 20 0 GDADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000736802742 598340183 /nfs/dbraw/zinc/34/01/83/598340183.db2.gz WRBBPZNOXKHELN-INIZCTEOSA-N 1 0 380.456 1.636 20 0 GDADRO Cc1ccc(N2CCC[C@H]([N@H+](C)CCOc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC000737352225 598364684 /nfs/dbraw/zinc/36/46/84/598364684.db2.gz PHWYIFXYTGTXPD-KRWDZBQOSA-N 1 0 394.483 1.945 20 0 GDADRO Cc1nc(CN2CCC[C@H]([N@H+](C)CCOc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC000737479001 598367174 /nfs/dbraw/zinc/36/71/74/598367174.db2.gz YUYVRVOIVBNUGB-INIZCTEOSA-N 1 0 398.471 1.533 20 0 GDADRO Cc1nc(CN2CCC[C@H]([N@H+](C)CCOc3ccccc3-c3nn[nH]n3)C2)no1 ZINC000737478441 598367263 /nfs/dbraw/zinc/36/72/63/598367263.db2.gz SCHDGIQOZMYBEO-HNNXBMFYSA-N 1 0 398.471 1.533 20 0 GDADRO C[C@H](O)C[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736146578 598376947 /nfs/dbraw/zinc/37/69/47/598376947.db2.gz IGSSLPCZPQGKIL-WMLDXEAASA-N 1 0 375.473 1.622 20 0 GDADRO CCC[N@H+](C)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[nH]n1 ZINC000736473082 598382907 /nfs/dbraw/zinc/38/29/07/598382907.db2.gz YSBLTGBEKZVUKS-UHFFFAOYSA-N 1 0 397.487 1.025 20 0 GDADRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736142454 598404290 /nfs/dbraw/zinc/40/42/90/598404290.db2.gz OKYHFKFOSGYAGP-DGCLKSJQSA-N 1 0 390.513 1.981 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000737548718 598421064 /nfs/dbraw/zinc/42/10/64/598421064.db2.gz QUEODHUHCQTKSP-AWEZNQCLSA-N 1 0 381.440 1.869 20 0 GDADRO Clc1cccc(N2CC[NH+](CCCNc3nccnc3-c3nn[nH]n3)CC2)c1 ZINC000737573262 598426309 /nfs/dbraw/zinc/42/63/09/598426309.db2.gz DVCHSYBXXHUFPR-UHFFFAOYSA-N 1 0 399.890 1.934 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000736573170 598436506 /nfs/dbraw/zinc/43/65/06/598436506.db2.gz XTETVFJPKVWICD-ZDUSSCGKSA-N 1 0 395.471 1.096 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000735628430 598471137 /nfs/dbraw/zinc/47/11/37/598471137.db2.gz UFLLULIKUJJKAC-CYBMUJFWSA-N 1 0 399.459 1.399 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C1 ZINC000737008424 598471872 /nfs/dbraw/zinc/47/18/72/598471872.db2.gz SYTNZSURSMDVSC-ZDUSSCGKSA-N 1 0 376.465 1.265 20 0 GDADRO Cc1nc(SCC(=O)NC[C@H](C)[N@H+](C)C2CC2)c(-c2nn[nH]n2)c(C)c1C ZINC000737482610 598502837 /nfs/dbraw/zinc/50/28/37/598502837.db2.gz JNMQZVOANOOXMO-JTQLQIEISA-N 1 0 389.529 1.878 20 0 GDADRO Cc1nc2ccccc2n1CCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737490497 598518654 /nfs/dbraw/zinc/51/86/54/598518654.db2.gz VNHMEDVMEBBKPQ-AWEZNQCLSA-N 1 0 392.471 1.443 20 0 GDADRO C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCc2ccccc21 ZINC000736024553 598519407 /nfs/dbraw/zinc/51/94/07/598519407.db2.gz ALMYBDNVVZZHEJ-KBPBESRZSA-N 1 0 379.472 1.146 20 0 GDADRO CCN(CC)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)CC(C)C ZINC000736534103 598521718 /nfs/dbraw/zinc/52/17/18/598521718.db2.gz LWRBBQYWICCGNW-GJZGRUSLSA-N 1 0 375.525 1.451 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1cccnc1OC1CCCC1)C2 ZINC000738445921 598522648 /nfs/dbraw/zinc/52/26/48/598522648.db2.gz PEKDODABDKLLIS-ZDUSSCGKSA-N 1 0 395.471 1.611 20 0 GDADRO CC(C)c1ccc(OCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735928164 598524565 /nfs/dbraw/zinc/52/45/65/598524565.db2.gz HGQJCQJKVVSGNV-AWEZNQCLSA-N 1 0 382.472 1.897 20 0 GDADRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736204898 598530492 /nfs/dbraw/zinc/53/04/92/598530492.db2.gz SSVFBNAUFJUKNB-INMHGKMJSA-N 1 0 393.499 1.530 20 0 GDADRO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000738040653 598542588 /nfs/dbraw/zinc/54/25/88/598542588.db2.gz VOLOAZOVDFJGRG-UHFFFAOYSA-N 1 0 397.483 1.073 20 0 GDADRO CC1CC[NH+](CCNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736275840 598594851 /nfs/dbraw/zinc/59/48/51/598594851.db2.gz KAFPQOWRVXZFRF-SFHVURJKSA-N 1 0 383.500 1.684 20 0 GDADRO C[C@@](CO)([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccccc1 ZINC000736026171 598617867 /nfs/dbraw/zinc/61/78/67/598617867.db2.gz LXNQVSFXRJDALR-SFHVURJKSA-N 1 0 386.843 1.956 20 0 GDADRO CC1CC[NH+](CCCNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000736277120 598630146 /nfs/dbraw/zinc/63/01/46/598630146.db2.gz TVTQOAWDEQHLPJ-UHFFFAOYSA-N 1 0 379.490 1.048 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000736799617 598638387 /nfs/dbraw/zinc/63/83/87/598638387.db2.gz BTVRQSNPUTVMGK-UHFFFAOYSA-N 1 0 397.414 1.193 20 0 GDADRO C[C@@H](CNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736014118 598666084 /nfs/dbraw/zinc/66/60/84/598666084.db2.gz KZZSDOUMRXOGDP-HNNXBMFYSA-N 1 0 380.452 1.882 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736865187 598698958 /nfs/dbraw/zinc/69/89/58/598698958.db2.gz WOFCWIZRAKIHON-UHFFFAOYSA-N 1 0 389.529 1.103 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@H]1CN1CCCC1=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737844806 598706413 /nfs/dbraw/zinc/70/64/13/598706413.db2.gz WMUWLEFVHGOZKN-KRWDZBQOSA-N 1 0 397.483 1.672 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843715 598708670 /nfs/dbraw/zinc/70/86/70/598708670.db2.gz MTCLZKVSNKIQKL-MRXNPFEDSA-N 1 0 383.456 1.282 20 0 GDADRO COc1ccc(C[N@H+](CCO)CCOc2ccccc2-c2nn[nH]n2)c(OC)c1 ZINC000737091641 598709888 /nfs/dbraw/zinc/70/98/88/598709888.db2.gz XDDDXTHOVIPAIJ-UHFFFAOYSA-N 1 0 399.451 1.757 20 0 GDADRO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736402161 598712061 /nfs/dbraw/zinc/71/20/61/598712061.db2.gz LRQQQYMCSPJROU-HUUCEWRRSA-N 1 0 387.536 1.595 20 0 GDADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](CCO)CC1 ZINC000735874861 598731752 /nfs/dbraw/zinc/73/17/52/598731752.db2.gz NIXALJPBTXJZEE-UHFFFAOYSA-N 1 0 387.488 1.243 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737842468 598775621 /nfs/dbraw/zinc/77/56/21/598775621.db2.gz CBKFSHJICRQEQL-KRWDZBQOSA-N 1 0 397.483 1.672 20 0 GDADRO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735639188 598780191 /nfs/dbraw/zinc/78/01/91/598780191.db2.gz DNZNMCKYAVPNBJ-HNNXBMFYSA-N 1 0 375.473 1.886 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1-c1nn[nH]n1 ZINC000737189535 599298786 /nfs/dbraw/zinc/29/87/86/599298786.db2.gz NUQGVBRDTVOKGM-YGRLFVJLSA-N 1 0 387.513 1.883 20 0 GDADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000736286133 599316539 /nfs/dbraw/zinc/31/65/39/599316539.db2.gz LYKKOQUSVMCXCA-MDZRGWNJSA-N 1 0 385.516 1.264 20 0 GDADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)CC1 ZINC000821189820 599323144 /nfs/dbraw/zinc/32/31/44/599323144.db2.gz VASBKFZHCNSGCF-UHFFFAOYSA-N 1 0 392.529 1.918 20 0 GDADRO O=S(=O)(c1cccc(F)c1-c1nn[nH]n1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000823606124 599344058 /nfs/dbraw/zinc/34/40/58/599344058.db2.gz FMIPDXZJGLVAFU-CYBMUJFWSA-N 1 0 394.476 1.645 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821253577 599347205 /nfs/dbraw/zinc/34/72/05/599347205.db2.gz HLQJNYBWWPQISE-AAEUAGOBSA-N 1 0 398.920 1.871 20 0 GDADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000736814633 599350268 /nfs/dbraw/zinc/35/02/68/599350268.db2.gz ROYDKGGCTHRHMU-UHFFFAOYSA-N 1 0 384.484 1.860 20 0 GDADRO CN(CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000736855127 599354947 /nfs/dbraw/zinc/35/49/47/599354947.db2.gz FYZCIOTWLSSEJH-GFCCVEGCSA-N 1 0 377.880 1.732 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000443017162 599368122 /nfs/dbraw/zinc/36/81/22/599368122.db2.gz YSBCNOVVIFBCOY-NEPJUHHUSA-N 1 0 396.904 1.767 20 0 GDADRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2=O)n(C)n1 ZINC000822206890 599387750 /nfs/dbraw/zinc/38/77/50/599387750.db2.gz CAORBQDAATXGRJ-XJKSGUPXSA-N 1 0 380.456 1.755 20 0 GDADRO COc1ccc(COC[C@H](O)C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000821824543 599417363 /nfs/dbraw/zinc/41/73/63/599417363.db2.gz MMDHNSNNSBLYJU-MRXNPFEDSA-N 1 0 399.451 1.551 20 0 GDADRO COc1ccc(C[NH2+]CC(=O)N2CCCc3ccccc32)cc1-c1nn[nH]n1 ZINC000821808358 599417501 /nfs/dbraw/zinc/41/75/01/599417501.db2.gz FKJAZKWDPRPMNR-UHFFFAOYSA-N 1 0 378.436 1.944 20 0 GDADRO CN(C)[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000736757771 599482180 /nfs/dbraw/zinc/48/21/80/599482180.db2.gz CSYAKDBGAQLUEF-KRWDZBQOSA-N 1 0 376.468 1.777 20 0 GDADRO O=C(NCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc(Cl)cc1 ZINC000738075406 599487465 /nfs/dbraw/zinc/48/74/65/599487465.db2.gz QMOZMYVOFKPXOL-UHFFFAOYSA-N 1 0 396.842 1.687 20 0 GDADRO COCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000821691322 599495888 /nfs/dbraw/zinc/49/58/88/599495888.db2.gz QIVFUQZSAJIJBP-UHFFFAOYSA-N 1 0 381.484 1.976 20 0 GDADRO C[NH+](C)Cc1ccc(N2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)nc1 ZINC000821588576 599537444 /nfs/dbraw/zinc/53/74/44/599537444.db2.gz YZSOHLMLGJDAHO-UHFFFAOYSA-N 1 0 382.447 1.789 20 0 GDADRO CC[C@H]1CN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC[N@@H+]1C[C@H](C)O ZINC000820995395 599574410 /nfs/dbraw/zinc/57/44/10/599574410.db2.gz QUIPPITVAVXWKT-BBRMVZONSA-N 1 0 398.471 1.194 20 0 GDADRO COC[C@H](C)[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccccc1 ZINC000736967603 599576150 /nfs/dbraw/zinc/57/61/50/599576150.db2.gz BONISOQJYGTBLT-ZDUSSCGKSA-N 1 0 397.483 1.896 20 0 GDADRO Cc1oc(NC(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c1C ZINC000737551621 599590266 /nfs/dbraw/zinc/59/02/66/599590266.db2.gz JMDZEYMGWBKSME-OAHLLOKOSA-N 1 0 387.488 1.965 20 0 GDADRO O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737875379 599590285 /nfs/dbraw/zinc/59/02/85/599590285.db2.gz KRMBGVKBPRYZSR-SFHVURJKSA-N 1 0 383.500 1.433 20 0 GDADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)CC(=O)NCc1ccccc1 ZINC000736793371 599592647 /nfs/dbraw/zinc/59/26/47/599592647.db2.gz WWZKTMOXPZEESW-UHFFFAOYSA-N 1 0 393.451 1.444 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)c1-c1nn[nH]n1 ZINC000822319133 599598329 /nfs/dbraw/zinc/59/83/29/599598329.db2.gz JYPNVZZGQMQFSR-UHFFFAOYSA-N 1 0 393.451 1.492 20 0 GDADRO COC(=O)Nc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736938126 599598559 /nfs/dbraw/zinc/59/85/59/599598559.db2.gz AJEADKMRHXCWLT-MRXNPFEDSA-N 1 0 395.423 1.404 20 0 GDADRO COc1cccc(OCCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000737142130 599598971 /nfs/dbraw/zinc/59/89/71/599598971.db2.gz SXXPTBGRGSJAHR-ZDUSSCGKSA-N 1 0 384.444 1.172 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1-c1nn[nH]n1 ZINC000822309200 599605949 /nfs/dbraw/zinc/60/59/49/599605949.db2.gz PPJAVOZMTOXXLC-CQSZACIVSA-N 1 0 383.456 1.200 20 0 GDADRO O=C(NCCNc1ncccc1-c1nn[nH]n1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000738077621 599613447 /nfs/dbraw/zinc/61/34/47/599613447.db2.gz HLTVZFPNOCVERG-UHFFFAOYSA-N 1 0 399.503 1.334 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821160570 599644238 /nfs/dbraw/zinc/64/42/38/599644238.db2.gz MWLVFNQGDUYSOZ-OCCSQVGLSA-N 1 0 375.477 1.677 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000821586444 599675016 /nfs/dbraw/zinc/67/50/16/599675016.db2.gz YDPISOUDOFASIH-OAHLLOKOSA-N 1 0 391.451 1.258 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737116498 599731787 /nfs/dbraw/zinc/73/17/87/599731787.db2.gz VDIVBNCDQUFHAR-ZDUSSCGKSA-N 1 0 389.543 1.483 20 0 GDADRO Cc1[nH]c(C(=O)[C@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)c1C(=O)[O-] ZINC000738231475 599963354 /nfs/dbraw/zinc/96/33/54/599963354.db2.gz ZZICQSGLQALCFN-DOMZBBRYSA-N 1 0 379.501 1.926 20 0 GDADRO C[NH+]1CCC(CNC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC1 ZINC000737509541 600270161 /nfs/dbraw/zinc/27/01/61/600270161.db2.gz TYAXPGQFSAMHIG-UHFFFAOYSA-N 1 0 389.500 1.357 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C[C@H](C)O1 ZINC000824985327 607447865 /nfs/dbraw/zinc/44/78/65/607447865.db2.gz VKEQFBGCGCZORQ-GASCZTMLSA-N 1 0 399.499 1.654 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000285213155 600732038 /nfs/dbraw/zinc/73/20/38/600732038.db2.gz WVVZLIPCROXALP-MRXNPFEDSA-N 1 0 397.541 1.730 20 0 GDADRO O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410542 607478731 /nfs/dbraw/zinc/47/87/31/607478731.db2.gz QFNFODPXNMUSOU-HKUYNNGSSA-N 1 0 395.511 1.432 20 0 GDADRO C[C@]1(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)cc2)NC(=O)NC1=O ZINC000820628851 607479111 /nfs/dbraw/zinc/47/91/11/607479111.db2.gz PFWUKHCDURYVFG-LJQANCHMSA-N 1 0 395.398 1.350 20 0 GDADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000823715841 607483084 /nfs/dbraw/zinc/48/30/84/607483084.db2.gz XEWSYSSNQWSQRQ-AZUAARDMSA-N 1 0 396.470 1.978 20 0 GDADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cccc(-c4nn[nH]n4)c3)nc2)C1 ZINC000821583242 607506551 /nfs/dbraw/zinc/50/65/51/607506551.db2.gz NLCYEGNKXKGOMQ-MRXNPFEDSA-N 1 0 378.440 1.654 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000826182611 607511741 /nfs/dbraw/zinc/51/17/41/607511741.db2.gz OZTMFQGNHBTWJV-UHFFFAOYSA-N 1 0 398.389 1.766 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000825453731 607512897 /nfs/dbraw/zinc/51/28/97/607512897.db2.gz WOXJHOMMVPQHLZ-PBHICJAKSA-N 1 0 387.488 1.617 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCNc2ncccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000825452528 607512909 /nfs/dbraw/zinc/51/29/09/607512909.db2.gz PVAHPFGTYIINQA-ZFWWWQNUSA-N 1 0 387.492 1.045 20 0 GDADRO CCOc1ccnc(N2CCC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)n1 ZINC000825659375 607516839 /nfs/dbraw/zinc/51/68/39/607516839.db2.gz RHYRQNDWWCYUCN-UHFFFAOYSA-N 1 0 381.444 1.163 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000826183202 607519390 /nfs/dbraw/zinc/51/93/90/607519390.db2.gz IAGWUFVXWYWWOE-IIDMSEBBSA-N 1 0 386.500 1.949 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825221312 607528467 /nfs/dbraw/zinc/52/84/67/607528467.db2.gz ZRYYKFVZEUYNEO-CVEARBPZSA-N 1 0 390.513 1.199 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825221313 607528882 /nfs/dbraw/zinc/52/88/82/607528882.db2.gz ZRYYKFVZEUYNEO-HOTGVXAUSA-N 1 0 390.513 1.199 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1-c1nn[nH]n1 ZINC000826302010 607549274 /nfs/dbraw/zinc/54/92/74/607549274.db2.gz XWAKBFPWBJMJCF-HNNXBMFYSA-N 1 0 390.513 1.814 20 0 GDADRO CC(C)[NH+]1CCN(c2ncnc(N3CC[NH+](C(C)C)CC3)c2C(=O)[O-])CC1 ZINC000826966723 602293234 /nfs/dbraw/zinc/29/32/34/602293234.db2.gz VRVMZRKWHDVCDH-UHFFFAOYSA-N 1 0 376.505 1.236 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000528949364 649931779 /nfs/dbraw/zinc/93/17/79/649931779.db2.gz PSECMGQHKMTMCV-WDEREUQCSA-N 1 0 377.869 1.308 20 0 GDADRO COc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1-c1nn[nH]n1 ZINC000826198756 607566089 /nfs/dbraw/zinc/56/60/89/607566089.db2.gz HUNKTODMNLZRRK-GOOCMWNKSA-N 1 0 385.472 1.690 20 0 GDADRO COc1ccc(CNC(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc1-c1nn[nH]n1 ZINC000826198128 607574942 /nfs/dbraw/zinc/57/49/42/607574942.db2.gz NBFIELDYNZOISM-UKRRQHHQSA-N 1 0 385.472 1.644 20 0 GDADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000826490473 607587621 /nfs/dbraw/zinc/58/76/21/607587621.db2.gz WQLOPSWUNGRIHI-SNVBAGLBSA-N 1 0 382.877 1.283 20 0 GDADRO Cc1cccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c1-c1nn[nH]n1 ZINC000826303058 607594004 /nfs/dbraw/zinc/59/40/04/607594004.db2.gz YYZIYFQZBRDWBO-UHFFFAOYSA-N 1 0 378.502 1.716 20 0 GDADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000825870592 607603121 /nfs/dbraw/zinc/60/31/21/607603121.db2.gz UDMCRMCEOZYQHT-UHFFFAOYSA-N 1 0 386.481 1.749 20 0 GDADRO O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000826496263 607608107 /nfs/dbraw/zinc/60/81/07/607608107.db2.gz QBQVJFNYCQEMNY-CQSZACIVSA-N 1 0 376.486 1.506 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])CC1 ZINC000738851771 603135062 /nfs/dbraw/zinc/13/50/62/603135062.db2.gz IXLXIMMSDJSODN-QZTJIDSGSA-N 1 0 380.533 1.972 20 0 GDADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1ccc(F)cc1-c1nn[nH]n1 ZINC000826491030 607614305 /nfs/dbraw/zinc/61/43/05/607614305.db2.gz QWJDISNLQKHXPM-UHFFFAOYSA-N 1 0 396.492 1.940 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000825000449 607614607 /nfs/dbraw/zinc/61/46/07/607614607.db2.gz QQRXJSADIDFNDD-CMPLNLGQSA-N 1 0 382.877 1.377 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825850201 607619864 /nfs/dbraw/zinc/61/98/64/607619864.db2.gz OKAZCXKBJTXSFF-DFBGVHRSSA-N 1 0 392.410 1.469 20 0 GDADRO COc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1-c1nn[nH]n1 ZINC000826198172 607626417 /nfs/dbraw/zinc/62/64/17/607626417.db2.gz OTQPPRDBXQXUAF-UHFFFAOYSA-N 1 0 399.455 1.742 20 0 GDADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1cccc(F)c1-c1nn[nH]n1 ZINC000826488777 607663052 /nfs/dbraw/zinc/66/30/52/607663052.db2.gz YXRRANBNNFZQJO-UHFFFAOYSA-N 1 0 394.476 1.691 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000529325628 649940463 /nfs/dbraw/zinc/94/04/63/649940463.db2.gz RUBHIHNAVBNRSK-YGRLFVJLSA-N 1 0 387.267 1.386 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1F)NC[C@H]1C[NH2+]CCCO1 ZINC000529344186 649940892 /nfs/dbraw/zinc/94/08/92/649940892.db2.gz QYHBCNZDXNSXGZ-SNVBAGLBSA-N 1 0 378.217 1.905 20 0 GDADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000825860026 607679900 /nfs/dbraw/zinc/67/99/00/607679900.db2.gz KMFCBZAHQRCEQT-UHFFFAOYSA-N 1 0 382.465 1.405 20 0 GDADRO CN1CCN(C(=O)NCc2ccc(Br)c(F)c2F)[C@@H](C[NH3+])C1 ZINC000529368990 649941698 /nfs/dbraw/zinc/94/16/98/649941698.db2.gz FPZGLCRSMHLFCK-JTQLQIEISA-N 1 0 377.233 1.512 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000826245824 607686328 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CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000821621689 606200098 /nfs/dbraw/zinc/20/00/98/606200098.db2.gz BUJVWUAPRCKSHD-UHFFFAOYSA-N 1 0 384.532 1.894 20 0 GDADRO COc1ccc(CN2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)cs3)C2=O)cc1 ZINC000821795122 606220094 /nfs/dbraw/zinc/22/00/94/606220094.db2.gz UICUKIVNUZYHCE-INIZCTEOSA-N 1 0 384.465 1.828 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000822638058 606237853 /nfs/dbraw/zinc/23/78/53/606237853.db2.gz YBGZSASNXIDRPU-QGZVFWFLSA-N 1 0 379.468 1.990 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000822645881 606249994 /nfs/dbraw/zinc/24/99/94/606249994.db2.gz UUXJEGHFXIXJSU-UHFFFAOYSA-N 1 0 380.456 1.911 20 0 GDADRO O=C(CC[C@@H]1CCOC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822950655 606276386 /nfs/dbraw/zinc/27/63/86/606276386.db2.gz WOQPCZPMTLALIK-QGZVFWFLSA-N 1 0 384.484 1.718 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000822637967 606278693 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20 0 GDADRO Cc1cccc2ncc(C[NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)n21 ZINC000822340785 606416886 /nfs/dbraw/zinc/41/68/86/606416886.db2.gz HQWSYWSDVPBLRG-UHFFFAOYSA-N 1 0 389.467 1.976 20 0 GDADRO O[C@@H](CNc1c(F)cc(-c2nn[nH]n2)cc1F)C[N@@H+]1CCc2ccccc2C1 ZINC000823689138 606450517 /nfs/dbraw/zinc/45/05/17/606450517.db2.gz BDSDMYUPZJOFHZ-HNNXBMFYSA-N 1 0 386.406 1.976 20 0 GDADRO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820404335 606471963 /nfs/dbraw/zinc/47/19/63/606471963.db2.gz SJNGUKNQSAWQHL-BMEPFDOTSA-N 1 0 378.436 1.936 20 0 GDADRO CC[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC[N@@H+]1C[C@H](C)O ZINC000820995594 606488673 /nfs/dbraw/zinc/48/86/73/606488673.db2.gz UPVDVYSKVOZPDP-WFASDCNBSA-N 1 0 396.442 1.745 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820092277 606536135 /nfs/dbraw/zinc/53/61/35/606536135.db2.gz KHNHMDWDBZCRSG-RHSMWYFYSA-N 1 0 388.472 1.107 20 0 GDADRO 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OSSKPJAGTIDDJV-WBAXXEDZSA-N 1 0 386.500 1.917 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820803586 606891706 /nfs/dbraw/zinc/89/17/06/606891706.db2.gz CQXSUKGAWAWQNW-GXSJLCMTSA-N 1 0 384.412 1.002 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821625581 606898277 /nfs/dbraw/zinc/89/82/77/606898277.db2.gz RBQJSVUVRCNSMP-IBGZPJMESA-N 1 0 399.543 1.738 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000822535161 606904285 /nfs/dbraw/zinc/90/42/85/606904285.db2.gz IILUBUJZUQAJPN-RISCZKNCSA-N 1 0 381.440 1.771 20 0 GDADRO NC(=O)c1cc([C@H]2CCC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC000822880653 606906435 /nfs/dbraw/zinc/90/64/35/606906435.db2.gz XIYLDLGYRUMZEZ-AWEZNQCLSA-N 1 0 396.455 1.337 20 0 GDADRO c1cc(OCCC[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc(-c2nn[nH]n2)c1 ZINC000823762617 606906484 /nfs/dbraw/zinc/90/64/84/606906484.db2.gz QINAAJOABDVJPL-SFHVURJKSA-N 1 0 386.500 1.822 20 0 GDADRO O=C(CC[N@@H+]1CC[C@@H](Oc2ccccn2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822964641 606934412 /nfs/dbraw/zinc/93/44/12/606934412.db2.gz NBNCQDPPOJUINX-CQSZACIVSA-N 1 0 379.424 1.744 20 0 GDADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821936942 606964631 /nfs/dbraw/zinc/96/46/31/606964631.db2.gz IFRQONBQCPPCKN-CYBMUJFWSA-N 1 0 382.465 1.300 20 0 GDADRO C[N@@H+]1CCN(c2cccc(F)c2-c2nn[nH]n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000821628278 606969597 /nfs/dbraw/zinc/96/95/97/606969597.db2.gz DZSNFLQELJZPHV-GFCCVEGCSA-N 1 0 391.451 1.651 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)CCC(=O)OC(C)(C)C ZINC000821701560 606983967 /nfs/dbraw/zinc/98/39/67/606983967.db2.gz STRZRDROXSGVEP-UHFFFAOYSA-N 1 0 377.445 1.918 20 0 GDADRO NC(=O)[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850846 606987467 /nfs/dbraw/zinc/98/74/67/606987467.db2.gz RVTLXUZQXAPQLG-PBHICJAKSA-N 1 0 380.408 1.213 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821690712 607004079 /nfs/dbraw/zinc/00/40/79/607004079.db2.gz WTLUHJBQLBCVGY-UHFFFAOYSA-N 1 0 388.472 1.251 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821687248 607044824 /nfs/dbraw/zinc/04/48/24/607044824.db2.gz VTYCNTQLMHFOBL-UHFFFAOYSA-N 1 0 376.461 1.109 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000821350721 607066604 /nfs/dbraw/zinc/06/66/04/607066604.db2.gz BWTCFLKUFVINTL-ZDUSSCGKSA-N 1 0 377.449 1.354 20 0 GDADRO COC(=O)[C@@]1(C)CC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821652332 607123474 /nfs/dbraw/zinc/12/34/74/607123474.db2.gz QAYIVLNNOWOJOA-SFHVURJKSA-N 1 0 382.428 1.276 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000823313508 607180358 /nfs/dbraw/zinc/18/03/58/607180358.db2.gz CZNJQCDELGHWSX-NEPJUHHUSA-N 1 0 389.847 1.202 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000823314618 607180447 /nfs/dbraw/zinc/18/04/47/607180447.db2.gz RXGNAMCWUBFIGQ-UONOGXRCSA-N 1 0 389.847 1.202 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[NH+]1CCCCC1 ZINC000820259929 607180664 /nfs/dbraw/zinc/18/06/64/607180664.db2.gz CZQPHAJHSVVONZ-LLVKDONJSA-N 1 0 391.863 1.449 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821268142 607181849 /nfs/dbraw/zinc/18/18/49/607181849.db2.gz UJAQXODJVKAKCM-LLVKDONJSA-N 1 0 377.836 1.059 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000821627010 607201798 /nfs/dbraw/zinc/20/17/98/607201798.db2.gz JENIANZYDSRWKQ-UHFFFAOYSA-N 1 0 392.895 1.669 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000821612281 607211259 /nfs/dbraw/zinc/21/12/59/607211259.db2.gz PINIJWDRECMKPD-MSOLQXFVSA-N 1 0 399.499 1.386 20 0 GDADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000821608627 607212081 /nfs/dbraw/zinc/21/20/81/607212081.db2.gz OGNUCZZAGLRJGI-MSOLQXFVSA-N 1 0 399.499 1.386 20 0 GDADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000821608630 607212153 /nfs/dbraw/zinc/21/21/53/607212153.db2.gz OGNUCZZAGLRJGI-ZWKOTPCHSA-N 1 0 399.499 1.386 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821623569 607230780 /nfs/dbraw/zinc/23/07/80/607230780.db2.gz NJXVGFGWPPVEEP-XHDPSFHLSA-N 1 0 396.904 1.625 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825856388 607776673 /nfs/dbraw/zinc/77/66/73/607776673.db2.gz UPZIQKVNEZFXQL-FQEVSTJZSA-N 1 0 396.451 1.701 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825855602 607777158 /nfs/dbraw/zinc/77/71/58/607777158.db2.gz IFDWEIAVEPXCGS-FQEVSTJZSA-N 1 0 395.467 1.653 20 0 GDADRO O=S(=O)(CC[NH2+]CCOc1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485286 607815148 /nfs/dbraw/zinc/81/51/48/607815148.db2.gz JPMRMOPBPTYDFG-UHFFFAOYSA-N 1 0 391.428 1.448 20 0 GDADRO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000826375216 607849028 /nfs/dbraw/zinc/84/90/28/607849028.db2.gz DFOJPOCTGVPTAW-NSHDSACASA-N 1 0 387.394 1.604 20 0 GDADRO C[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C[C@@H]1CCC[C@@H]1O ZINC000825892137 607859582 /nfs/dbraw/zinc/85/95/82/607859582.db2.gz GYPFRZNPCYCYST-BBRMVZONSA-N 1 0 396.455 1.084 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000826175417 607914675 /nfs/dbraw/zinc/91/46/75/607914675.db2.gz DMDZNRYAGIRNCQ-ZIAGYGMSSA-N 1 0 388.472 1.585 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000825866026 607933213 /nfs/dbraw/zinc/93/32/13/607933213.db2.gz PNIPRTQMHOBKKY-INIZCTEOSA-N 1 0 394.483 1.285 20 0 GDADRO COCC1(O)CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826153719 607991070 /nfs/dbraw/zinc/99/10/70/607991070.db2.gz XRVHIJDYSGVXOB-UHFFFAOYSA-N 1 0 394.863 1.322 20 0 GDADRO COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000826128843 608003911 /nfs/dbraw/zinc/00/39/11/608003911.db2.gz HWQMPYMJGYUNOS-HNNXBMFYSA-N 1 0 398.467 1.615 20 0 GDADRO CC(C)C[C@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)C(=O)NCC[NH+](C)C ZINC000824274458 608005818 /nfs/dbraw/zinc/00/58/18/608005818.db2.gz IECQESUYVVYJTD-IBSYWUHOSA-N 1 0 399.499 1.089 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000826304761 608016307 /nfs/dbraw/zinc/01/63/07/608016307.db2.gz XAXZOODSEVHAEU-HNNXBMFYSA-N 1 0 379.468 1.810 20 0 GDADRO CC[C@@H](OC1CCCC1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825152858 608019444 /nfs/dbraw/zinc/01/94/44/608019444.db2.gz DKIMDRJRYTUOJF-CYBMUJFWSA-N 1 0 376.465 1.418 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(NC(=O)OC)cc2)c1-c1nn[nH]n1 ZINC000826084022 608019943 /nfs/dbraw/zinc/01/99/43/608019943.db2.gz UEBHLYLIUQTWBQ-UHFFFAOYSA-N 1 0 399.415 1.172 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CSc3ccccc32)c1-c1nn[nH]n1 ZINC000826077900 608020461 /nfs/dbraw/zinc/02/04/61/608020461.db2.gz ZLIFRORPCWMKFC-LLVKDONJSA-N 1 0 384.469 1.570 20 0 GDADRO CCN(CC)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)cc1 ZINC000825418111 608021063 /nfs/dbraw/zinc/02/10/63/608021063.db2.gz XERMXMKRDHZQPH-UHFFFAOYSA-N 1 0 397.487 1.840 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2coc3cc(F)ccc23)c1-c1nn[nH]n1 ZINC000826077136 608021397 /nfs/dbraw/zinc/02/13/97/608021397.db2.gz BDMLOWMAXHYETE-UHFFFAOYSA-N 1 0 398.402 1.808 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(C(C)(C)C)n2)c1-c1nn[nH]n1 ZINC000826084383 608022381 /nfs/dbraw/zinc/02/23/81/608022381.db2.gz ZGSPIQZOFSYOMV-UHFFFAOYSA-N 1 0 389.489 1.748 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C1SCCS1 ZINC000825865963 608046344 /nfs/dbraw/zinc/04/63/44/608046344.db2.gz NNSRTDSNQZTMKE-UHFFFAOYSA-N 1 0 378.527 1.563 20 0 GDADRO C[C@@H](CNC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)[N@H+](C)C1CC1 ZINC000824420969 608062452 /nfs/dbraw/zinc/06/24/52/608062452.db2.gz RDGMZHQUEOYVMC-GUYCJALGSA-N 1 0 385.472 1.432 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825460023 608064708 /nfs/dbraw/zinc/06/47/08/608064708.db2.gz QMJHOABGQQJAFX-IAGOWNOFSA-N 1 0 385.472 1.434 20 0 GDADRO CC[N@H+]1C[C@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)[C@@H](C)C1 ZINC000825444422 608065719 /nfs/dbraw/zinc/06/57/19/608065719.db2.gz MVKYRGDTXVEUGG-RRQGHBQHSA-N 1 0 385.472 1.290 20 0 GDADRO CS[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826227227 608088765 /nfs/dbraw/zinc/08/87/65/608088765.db2.gz NYSMFWLUYOAAME-NWDGAFQWSA-N 1 0 395.558 1.461 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2c(F)cccc2F)c1-c1nn[nH]n1 ZINC000826073075 608113858 /nfs/dbraw/zinc/11/38/58/608113858.db2.gz CWTODZZGKLUYCX-SECBINFHSA-N 1 0 390.398 1.762 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(Cl)c2F)c1-c1nn[nH]n1 ZINC000826083808 608114097 /nfs/dbraw/zinc/11/40/97/608114097.db2.gz RIZYXJOSLQOZAZ-UHFFFAOYSA-N 1 0 379.787 1.182 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824978197 608121335 /nfs/dbraw/zinc/12/13/35/608121335.db2.gz VAYHCHDVUYCNKY-CHWSQXEVSA-N 1 0 375.502 1.026 20 0 GDADRO C[C@H](CCNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+]1CCCCC1 ZINC000824401618 608126315 /nfs/dbraw/zinc/12/63/15/608126315.db2.gz RFQKNFUCCQERRK-CYBMUJFWSA-N 1 0 396.492 1.690 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824104643 608135241 /nfs/dbraw/zinc/13/52/41/608135241.db2.gz WAMWNQBHRUNOFO-ZDUSSCGKSA-N 1 0 398.471 1.861 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)CCC1CC1 ZINC000825865374 608150234 /nfs/dbraw/zinc/15/02/34/608150234.db2.gz BFNWWLBOZUBOJU-UHFFFAOYSA-N 1 0 378.502 1.360 20 0 GDADRO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(-c2nn[nH]n2)c1C ZINC000826341327 608169331 /nfs/dbraw/zinc/16/93/31/608169331.db2.gz DDSJGHDMWUCBHK-CHWSQXEVSA-N 1 0 387.444 1.006 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826479370 608169993 /nfs/dbraw/zinc/16/99/93/608169993.db2.gz XHIWMHRJNFAUIY-WCQYABFASA-N 1 0 389.485 1.247 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000826182579 608171082 /nfs/dbraw/zinc/17/10/82/608171082.db2.gz NXCOHHCZLWBUPC-YJBOKZPZSA-N 1 0 385.516 1.333 20 0 GDADRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2snc(Cl)c2-c2nn[nH]n2)C1 ZINC000826022781 608190440 /nfs/dbraw/zinc/19/04/40/608190440.db2.gz RIYSSCXJGICSGF-ZCFIWIBFSA-N 1 0 384.882 1.066 20 0 GDADRO C[C@@H]1[C@H](C)N(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)CC[N@H+]1C ZINC000824860887 608203073 /nfs/dbraw/zinc/20/30/73/608203073.db2.gz YTBDOKDTEFFNJY-KGLIPLIRSA-N 1 0 385.472 1.527 20 0 GDADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC000824284379 608218379 /nfs/dbraw/zinc/21/83/79/608218379.db2.gz HHCDFTRWTLUUOO-UHFFFAOYSA-N 1 0 394.483 1.830 20 0 GDADRO c1cncc(CN2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826525511 608319707 /nfs/dbraw/zinc/31/97/07/608319707.db2.gz NGGNQNHOOKBDHI-UHFFFAOYSA-N 1 0 379.468 1.848 20 0 GDADRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826321607 608321049 /nfs/dbraw/zinc/32/10/49/608321049.db2.gz JJLKXSHRVZABMW-NVXWUHKLSA-N 1 0 383.456 1.783 20 0 GDADRO C[C@H](CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C[NH+]1CCCC1 ZINC000824428142 608327980 /nfs/dbraw/zinc/32/79/80/608327980.db2.gz QJONNGBZTDROLH-GFCCVEGCSA-N 1 0 382.465 1.157 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825451143 608337165 /nfs/dbraw/zinc/33/71/65/608337165.db2.gz GKOOFJRVBPRKJB-AWEZNQCLSA-N 1 0 382.465 1.252 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000826169152 608356723 /nfs/dbraw/zinc/35/67/23/608356723.db2.gz JWLRZOWZZZOPKJ-IIDMSEBBSA-N 1 0 386.500 1.949 20 0 GDADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCCOc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826359936 608375997 /nfs/dbraw/zinc/37/59/97/608375997.db2.gz SYBCOXYQZIXEKL-IEBWSBKVSA-N 1 0 397.483 1.957 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826157736 608407148 /nfs/dbraw/zinc/40/71/48/608407148.db2.gz JGTXXKJTLGEFDK-UHFFFAOYSA-N 1 0 385.472 1.244 20 0 GDADRO NC(=O)c1cc(OC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)ccn1 ZINC000826392729 608421284 /nfs/dbraw/zinc/42/12/84/608421284.db2.gz LCOVVFMMASPUJY-UHFFFAOYSA-N 1 0 397.414 1.543 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000826176458 608459170 /nfs/dbraw/zinc/45/91/70/608459170.db2.gz QGRKYZYRWASZOT-UHFFFAOYSA-N 1 0 390.488 1.785 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562634 608461048 /nfs/dbraw/zinc/46/10/48/608461048.db2.gz HTLSLCPOKBRVCK-GFCCVEGCSA-N 1 0 380.408 1.562 20 0 GDADRO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826504410 608464502 /nfs/dbraw/zinc/46/45/02/608464502.db2.gz VLGVGRIVOLSKBM-RBUKOAKNSA-N 1 0 385.468 1.512 20 0 GDADRO CNC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826053168 608467817 /nfs/dbraw/zinc/46/78/17/608467817.db2.gz UTKDTQQNORUMFF-ACJLOTCBSA-N 1 0 393.451 1.121 20 0 GDADRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826133650 608482425 /nfs/dbraw/zinc/48/24/25/608482425.db2.gz NQODLVDVHUAQHO-QWHCGFSZSA-N 1 0 386.456 1.317 20 0 GDADRO COCc1cccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826164948 608487533 /nfs/dbraw/zinc/48/75/33/608487533.db2.gz YIQIQGVUTMZQKO-AWEZNQCLSA-N 1 0 380.452 1.980 20 0 GDADRO NC(=O)[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000826390139 608496109 /nfs/dbraw/zinc/49/61/09/608496109.db2.gz QXSPANMQDNTUSW-KRWDZBQOSA-N 1 0 378.436 1.753 20 0 GDADRO CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825838874 608510452 /nfs/dbraw/zinc/51/04/52/608510452.db2.gz DREAYYWYAWQRLN-LJQANCHMSA-N 1 0 397.527 1.776 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826496927 608520782 /nfs/dbraw/zinc/52/07/82/608520782.db2.gz OELVMWXNQXISIK-INIZCTEOSA-N 1 0 376.486 1.259 20 0 GDADRO NC(=O)c1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000826393243 608570538 /nfs/dbraw/zinc/57/05/38/608570538.db2.gz JGDCKRGVHIVCNJ-UHFFFAOYSA-N 1 0 393.451 1.840 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000530520377 649977640 /nfs/dbraw/zinc/97/76/40/649977640.db2.gz FJOIPLXOKZLEDN-UHFFFAOYSA-N 1 0 375.878 1.092 20 0 GDADRO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825870462 608747514 /nfs/dbraw/zinc/74/75/14/608747514.db2.gz NGIUOHJPOSRSNY-UHFFFAOYSA-N 1 0 388.453 1.608 20 0 GDADRO COCc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000826164753 608836709 /nfs/dbraw/zinc/83/67/09/608836709.db2.gz OLSPMZNYVIUIQG-CQSZACIVSA-N 1 0 380.456 1.514 20 0 GDADRO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(c4ncccc4-c4nn[nH]n4)CC3)C2)cc1 ZINC000826521616 608872897 /nfs/dbraw/zinc/87/28/97/608872897.db2.gz SIWKLVXQSWTLIJ-GOSISDBHSA-N 1 0 390.495 1.658 20 0 GDADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824598818 609138517 /nfs/dbraw/zinc/13/85/17/609138517.db2.gz JLRXCVWLMSDNEF-LBPRGKRZSA-N 1 0 390.444 1.635 20 0 GDADRO O=C([C@@H]1[C@@H]2CCCO[C@H]12)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826397362 609141532 /nfs/dbraw/zinc/14/15/32/609141532.db2.gz BKQFKKNFSVHXSP-KSZLIROESA-N 1 0 382.468 1.326 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825067826 609152593 /nfs/dbraw/zinc/15/25/93/609152593.db2.gz NURCKWCUMNXSNY-ZDUSSCGKSA-N 1 0 382.472 1.821 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259302 609153969 /nfs/dbraw/zinc/15/39/69/609153969.db2.gz OCZMGRUTCWFSBF-MRXNPFEDSA-N 1 0 392.467 1.575 20 0 GDADRO c1cn2c(n1)CC[C@@H]([NH2+]C1CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC1)C2 ZINC000826525034 609187245 /nfs/dbraw/zinc/18/72/45/609187245.db2.gz SZNJGNBGUASNIN-GOSISDBHSA-N 1 0 378.484 1.632 20 0 GDADRO Cc1ccc([C@@H](CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[NH+](C)C)cc1 ZINC000826284081 609213639 /nfs/dbraw/zinc/21/36/39/609213639.db2.gz JKJGOPQXJBKHIP-MSOLQXFVSA-N 1 0 380.452 1.628 20 0 GDADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000824957374 609216017 /nfs/dbraw/zinc/21/60/17/609216017.db2.gz XJFALDPMLABLSF-VQIMIIECSA-N 1 0 398.511 1.871 20 0 GDADRO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825866359 609228642 /nfs/dbraw/zinc/22/86/42/609228642.db2.gz XNLJQBIDMPTDTP-SFHVURJKSA-N 1 0 396.451 1.869 20 0 GDADRO C[NH+](C)Cc1cc(CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000825870538 609231730 /nfs/dbraw/zinc/23/17/30/609231730.db2.gz QLUUCJWAMWBEIM-KRWDZBQOSA-N 1 0 384.415 1.417 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825210759 609238903 /nfs/dbraw/zinc/23/89/03/609238903.db2.gz IYOLMSVWVFWPEG-XJKCOSOUSA-N 1 0 378.502 1.577 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824579200 609241557 /nfs/dbraw/zinc/24/15/57/609241557.db2.gz YOMYEXLUNBPFGP-KWFDTGPKSA-N 1 0 387.419 1.377 20 0 GDADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826431315 609292159 /nfs/dbraw/zinc/29/21/59/609292159.db2.gz XZXPJSUKZUFMME-LBPRGKRZSA-N 1 0 390.875 1.751 20 0 GDADRO C[N@H+](CCO)C1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CC1 ZINC000825941157 609316092 /nfs/dbraw/zinc/31/60/92/609316092.db2.gz BGMLAQIRFIEQTA-UHFFFAOYSA-N 1 0 387.875 1.961 20 0 GDADRO C[N@H+](CCO)C1CCN(c2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825941568 609316343 /nfs/dbraw/zinc/31/63/43/609316343.db2.gz KRWVVKCIJCGLST-UHFFFAOYSA-N 1 0 381.278 1.522 20 0 GDADRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824593710 609332066 /nfs/dbraw/zinc/33/20/66/609332066.db2.gz SELHVDGMBSYEKL-SUMWQHHRSA-N 1 0 389.479 1.599 20 0 GDADRO Cn1cc(C[NH2+]CCOCC(F)(F)F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361886 609335827 /nfs/dbraw/zinc/33/58/27/609335827.db2.gz UGGWADPDJUZLFZ-UHFFFAOYSA-N 1 0 381.362 1.936 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCN(CC3CC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361180 609338967 /nfs/dbraw/zinc/33/89/67/609338967.db2.gz OIUDRZFASNUIFD-GOSISDBHSA-N 1 0 378.484 1.841 20 0 GDADRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825471322 609340968 /nfs/dbraw/zinc/34/09/68/609340968.db2.gz RTDPJNIWFIFPOD-INIZCTEOSA-N 1 0 395.471 1.161 20 0 GDADRO CCNC(=O)C(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825465708 609343046 /nfs/dbraw/zinc/34/30/46/609343046.db2.gz QBFRSLXRPRPIKP-UHFFFAOYSA-N 1 0 382.472 1.519 20 0 GDADRO Cn1cc(C[NH2+]CC2(CO)CCOCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361395 609343353 /nfs/dbraw/zinc/34/33/53/609343353.db2.gz VTVUIPIGCGVZLQ-UHFFFAOYSA-N 1 0 383.456 1.146 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000826034244 609356190 /nfs/dbraw/zinc/35/61/90/609356190.db2.gz PALLBXZGALIUKC-NSHDSACASA-N 1 0 385.407 1.407 20 0 GDADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000823820682 609359958 /nfs/dbraw/zinc/35/99/58/609359958.db2.gz IZIXZUQEWZMBAV-CYBMUJFWSA-N 1 0 389.261 1.885 20 0 GDADRO CC(C)(C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccnc1 ZINC000824058703 609363298 /nfs/dbraw/zinc/36/32/98/609363298.db2.gz APDYFPIIOJDYLW-UHFFFAOYSA-N 1 0 391.479 1.884 20 0 GDADRO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cc(=O)[nH]1 ZINC000825694609 609374526 /nfs/dbraw/zinc/37/45/26/609374526.db2.gz WFJWZOJOFOHSRL-UHFFFAOYSA-N 1 0 395.467 1.734 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000826202973 609412921 /nfs/dbraw/zinc/41/29/21/609412921.db2.gz UWPZIBIHFPRTPV-INIZCTEOSA-N 1 0 379.424 1.556 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)C1 ZINC000826389707 609452847 /nfs/dbraw/zinc/45/28/47/609452847.db2.gz GEOIPPNKKXQMHY-ZDUSSCGKSA-N 1 0 394.439 1.144 20 0 GDADRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826437425 609459521 /nfs/dbraw/zinc/45/95/21/609459521.db2.gz LEIIQFOCPFCYEI-UHFFFAOYSA-N 1 0 394.439 1.273 20 0 GDADRO CCc1nnc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000825762633 609512796 /nfs/dbraw/zinc/51/27/96/609512796.db2.gz FNWOOCNVANNXBN-UHFFFAOYSA-N 1 0 384.513 1.989 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824262119 609559223 /nfs/dbraw/zinc/55/92/23/609559223.db2.gz XWASTZZNBDVERL-CYBMUJFWSA-N 1 0 398.920 1.919 20 0 GDADRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826256956 609574928 /nfs/dbraw/zinc/57/49/28/609574928.db2.gz HYWQMIMHXVYJDO-QGZVFWFLSA-N 1 0 392.467 1.670 20 0 GDADRO CCCN(CC[NH+](C)C)C(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825313322 609586755 /nfs/dbraw/zinc/58/67/55/609586755.db2.gz AUFJVRAHMBYRSG-UHFFFAOYSA-N 1 0 382.472 1.775 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000531871551 649999334 /nfs/dbraw/zinc/99/93/34/649999334.db2.gz DSPCXUNDBMKDPW-UHFFFAOYSA-N 1 0 398.301 1.774 20 0 GDADRO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000531958944 650002402 /nfs/dbraw/zinc/00/24/02/650002402.db2.gz BGAUEIPIRIAJSN-UXIGCNINSA-N 1 0 390.265 1.571 20 0 GDADRO C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)S(C)(=O)=O ZINC000532811098 650035539 /nfs/dbraw/zinc/03/55/39/650035539.db2.gz JHKAJGKSUPEUCD-CQSZACIVSA-N 1 0 385.555 1.833 20 0 GDADRO CNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000533086880 650040979 /nfs/dbraw/zinc/04/09/79/650040979.db2.gz RIPFMQLNMDUDFB-LBPRGKRZSA-N 1 0 375.878 1.301 20 0 GDADRO COCc1nc(C)c(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000533992403 650216746 /nfs/dbraw/zinc/21/67/46/650216746.db2.gz UEDNTJKKCRVARP-ZDUSSCGKSA-N 1 0 389.543 1.179 20 0 GDADRO CN(CC(=O)NCCNc1cc[nH+]cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000534522464 650223850 /nfs/dbraw/zinc/22/38/50/650223850.db2.gz XZCCJRALPCMQCO-UHFFFAOYSA-N 1 0 388.902 1.067 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C[C@H]1[NH+](C)C ZINC000534907699 650234993 /nfs/dbraw/zinc/23/49/93/650234993.db2.gz NWCAVFRPEOXSIO-IAGOWNOFSA-N 1 0 380.539 1.598 20 0 GDADRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 ZINC000536699592 650278351 /nfs/dbraw/zinc/27/83/51/650278351.db2.gz GPWSLTMTODXITL-UHFFFAOYSA-N 1 0 395.522 1.598 20 0 GDADRO CCCN(C)S(=O)(=O)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536904095 650283221 /nfs/dbraw/zinc/28/32/21/650283221.db2.gz IIDXPOFVOROABL-IYBDPMFKSA-N 1 0 377.551 1.163 20 0 GDADRO C[C@H](C(=O)N1CC([NH+](C)C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000537119316 650287406 /nfs/dbraw/zinc/28/74/06/650287406.db2.gz GXNWIMJBYCXAJN-SECBINFHSA-N 1 0 380.242 1.206 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)ccc1S(C)(=O)=O ZINC000539055125 650327645 /nfs/dbraw/zinc/32/76/45/650327645.db2.gz PYSGSCUYPWWNNZ-CYBMUJFWSA-N 1 0 389.539 1.964 20 0 GDADRO C[C@@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[S@](C)=O ZINC000540156653 650350332 /nfs/dbraw/zinc/35/03/32/650350332.db2.gz IZFGNEINNZENQU-ISQRANHSSA-N 1 0 388.555 1.515 20 0 GDADRO COCCN(C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000540265735 650354028 /nfs/dbraw/zinc/35/40/28/650354028.db2.gz NMFQEWLFKAOMBX-OAGGEKHMSA-N 1 0 375.535 1.094 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000540629395 650366821 /nfs/dbraw/zinc/36/68/21/650366821.db2.gz DRDRYHVPDFONFB-UHFFFAOYSA-N 1 0 378.292 1.167 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CS(=O)(=O)CCO3)cnc12 ZINC000541379662 650383259 /nfs/dbraw/zinc/38/32/59/650383259.db2.gz AMRPZUPHBCHWHA-CYBMUJFWSA-N 1 0 388.287 1.308 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)CC1 ZINC000541696124 650388626 /nfs/dbraw/zinc/38/86/26/650388626.db2.gz BYEJECQGHHTGHT-UHFFFAOYSA-N 1 0 375.803 1.789 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cnc(N3CCOCC3)s2)CC1 ZINC000542709859 650410662 /nfs/dbraw/zinc/41/06/62/650410662.db2.gz IVGJDILKJGOQLV-UHFFFAOYSA-N 1 0 388.559 1.131 20 0 GDADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(I)cc2)C1 ZINC000542747683 650412218 /nfs/dbraw/zinc/41/22/18/650412218.db2.gz QORJSHCVCBTVTC-LLVKDONJSA-N 1 0 394.278 1.911 20 0 GDADRO C[N@H+](CCNS(=O)(=O)c1ccc(I)cc1)C1CC1 ZINC000542754583 650412377 /nfs/dbraw/zinc/41/23/77/650412377.db2.gz BXTCUCMGXQUJEE-UHFFFAOYSA-N 1 0 380.251 1.664 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)c1cnn2cc(Br)cnc12 ZINC000543610641 650424391 /nfs/dbraw/zinc/42/43/91/650424391.db2.gz KPVGOGIVWWEBMT-UHFFFAOYSA-N 1 0 384.278 1.580 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC000543837840 650430515 /nfs/dbraw/zinc/43/05/15/650430515.db2.gz AZAIKDBAAMBNEL-CYBMUJFWSA-N 1 0 378.288 1.012 20 0 GDADRO COc1cc(C(=O)NCC2(C[NH+](C)C)CCCC2)sc1S(N)(=O)=O ZINC000544795709 650445812 /nfs/dbraw/zinc/44/58/12/650445812.db2.gz IWCZRAMANMADLQ-UHFFFAOYSA-N 1 0 375.516 1.256 20 0 GDADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000545184025 650450784 /nfs/dbraw/zinc/45/07/84/650450784.db2.gz AWFCEUWDYXWIME-UHFFFAOYSA-N 1 0 377.532 1.077 20 0 GDADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000545891034 650464255 /nfs/dbraw/zinc/46/42/55/650464255.db2.gz MXVIDMJDJJMOTQ-MRXNPFEDSA-N 1 0 377.551 1.560 20 0 GDADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545860835 650462421 /nfs/dbraw/zinc/46/24/21/650462421.db2.gz APZGBFCGYUXGFH-KRWDZBQOSA-N 1 0 399.285 1.603 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ncc(I)cn1 ZINC000546025966 650468052 /nfs/dbraw/zinc/46/80/52/650468052.db2.gz KOQZOGXNSMVEEQ-LLVKDONJSA-N 1 0 375.258 1.519 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(I)c(O)c2)C1 ZINC000546191862 650473730 /nfs/dbraw/zinc/47/37/30/650473730.db2.gz CVBPBSBMZQATRJ-NSHDSACASA-N 1 0 390.221 1.447 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(Cl)ccc2I)C1 ZINC000546569631 650479189 /nfs/dbraw/zinc/47/91/89/650479189.db2.gz AFTMEWRPQNHPKV-ZDUSSCGKSA-N 1 0 394.640 1.741 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(Br)o2)CC1 ZINC000546775491 650485435 /nfs/dbraw/zinc/48/54/35/650485435.db2.gz NNRDMRFTKKZYHT-UHFFFAOYSA-N 1 0 381.292 1.556 20 0 GDADRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)CCCN1CCOCC1 ZINC000547643412 650510647 /nfs/dbraw/zinc/51/06/47/650510647.db2.gz PAGCJFGXXJXPQI-UHFFFAOYSA-N 1 0 375.579 1.625 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccnc2ccccc12 ZINC000548176507 650533422 /nfs/dbraw/zinc/53/34/22/650533422.db2.gz NNTDEKOQSXEGAG-UHFFFAOYSA-N 1 0 378.479 1.773 20 0 GDADRO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000548752692 650562334 /nfs/dbraw/zinc/56/23/34/650562334.db2.gz WWTXWJVGPSWAOF-ZIAGYGMSSA-N 1 0 385.917 1.656 20 0 GDADRO CN1CCN(C(=O)CC[N@H+](CCO)Cc2cc(Br)cs2)CC1 ZINC000549171500 650571784 /nfs/dbraw/zinc/57/17/84/650571784.db2.gz GCUTYGUJCBDSSG-UHFFFAOYSA-N 1 0 390.347 1.469 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000549903129 650584830 /nfs/dbraw/zinc/58/48/30/650584830.db2.gz CBXVGRSBNOLFLN-QGZVFWFLSA-N 1 0 386.539 1.587 20 0 GDADRO CCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc(Br)cn2C)CC1 ZINC000550130154 650589427 /nfs/dbraw/zinc/58/94/27/650589427.db2.gz VCZMTKGBIUHKLJ-UHFFFAOYSA-N 1 0 399.333 1.737 20 0 GDADRO O=C(NCCc1ccc(Br)s1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550589119 650595154 /nfs/dbraw/zinc/59/51/54/650595154.db2.gz BCBDHTVSSUKTMJ-SNVBAGLBSA-N 1 0 386.315 1.522 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1nnc(C)s1)c1ccsc1 ZINC000550636420 650595902 /nfs/dbraw/zinc/59/59/02/650595902.db2.gz NEWHLXWSNHWBTA-CYBMUJFWSA-N 1 0 381.527 1.724 20 0 GDADRO O=C(COc1ccc(F)cc1Br)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000552027150 650617671 /nfs/dbraw/zinc/61/76/71/650617671.db2.gz YBLQGFNROHFHRB-MRXNPFEDSA-N 1 0 387.249 1.540 20 0 GDADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552155287 650621540 /nfs/dbraw/zinc/62/15/40/650621540.db2.gz OSEYFMUKILGIRR-ICCXJUOJSA-N 1 0 375.238 1.489 20 0 GDADRO C[C@@H](NC(=O)c1csc(I)c1)C(=O)NCC[NH+](C)C ZINC000552309268 650622930 /nfs/dbraw/zinc/62/29/30/650622930.db2.gz CEQMYINFKLTTND-MRVPVSSYSA-N 1 0 395.266 1.149 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)cc1Cl)C(=O)NCC[NH+](C)C ZINC000552311961 650623329 /nfs/dbraw/zinc/62/33/29/650623329.db2.gz JXFKSCZGIYTOSY-VIFPVBQESA-N 1 0 376.682 1.899 20 0 GDADRO COC(=O)[C@H](CNC(=O)C[N@H+](C)C(C)C)Oc1ccc(Br)cc1 ZINC000552468375 650626879 /nfs/dbraw/zinc/62/68/79/650626879.db2.gz KSWFOXCOJMPGAT-AWEZNQCLSA-N 1 0 387.274 1.826 20 0 GDADRO C[C@H](CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C[NH+](C)C ZINC000552884418 650634151 /nfs/dbraw/zinc/63/41/51/650634151.db2.gz VKTQVEKFHQSSPR-SNVBAGLBSA-N 1 0 382.258 1.359 20 0 GDADRO CCOC(=O)C1CCC([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000554743293 650681233 /nfs/dbraw/zinc/68/12/33/650681233.db2.gz ZPVCHICCGPHADA-GPANFISMSA-N 1 0 375.535 1.359 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[N@H+](CCO)Cc2ccc(Br)s2)C1 ZINC000554848567 650682481 /nfs/dbraw/zinc/68/24/81/650682481.db2.gz NUXHEHCHPRIVHS-NSHDSACASA-N 1 0 397.360 1.586 20 0 GDADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000556169029 650699552 /nfs/dbraw/zinc/69/95/52/650699552.db2.gz MXVZWLXZDXLQLA-ABAIWWIYSA-N 1 0 391.269 1.369 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3F)C2)CC1 ZINC000556362388 650703477 /nfs/dbraw/zinc/70/34/77/650703477.db2.gz NROUVKSNXAMRLI-AWEZNQCLSA-N 1 0 375.897 1.880 20 0 GDADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CCNC(N)=O ZINC000556676091 650708911 /nfs/dbraw/zinc/70/89/11/650708911.db2.gz JGECYKNXUHFSEA-NSHDSACASA-N 1 0 398.305 1.586 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000557202765 650720950 /nfs/dbraw/zinc/72/09/50/650720950.db2.gz LIMGEXRWBNPCQH-IXDOHACOSA-N 1 0 393.329 1.994 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C[N@@H+]1C1CC1 ZINC000559679289 650735105 /nfs/dbraw/zinc/73/51/05/650735105.db2.gz SJVQRIANPYPQSI-RKDXNWHRSA-N 1 0 376.404 1.928 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000563710196 650738022 /nfs/dbraw/zinc/73/80/22/650738022.db2.gz VQDRNUWQHJAIDI-GJZGRUSLSA-N 1 0 380.432 1.622 20 0 GDADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([NH2+][C@@H]2CCOC2)C1 ZINC000563761837 650739308 /nfs/dbraw/zinc/73/93/08/650739308.db2.gz LHFGDTBGOQTLSL-ZIAGYGMSSA-N 1 0 389.315 1.981 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]([NH3+])CC ZINC000563956998 650744881 /nfs/dbraw/zinc/74/48/81/650744881.db2.gz CITHEJSDJQBEQD-GFCCVEGCSA-N 1 0 395.319 1.880 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]([NH3+])CC ZINC000563956999 650744957 /nfs/dbraw/zinc/74/49/57/650744957.db2.gz CITHEJSDJQBEQD-LBPRGKRZSA-N 1 0 395.319 1.880 20 0 GDADRO O=S(=O)(Cc1cccc(Cl)c1)NCCCCN1CC[NH+](CCO)CC1 ZINC000564071886 650747072 /nfs/dbraw/zinc/74/70/72/650747072.db2.gz ICXARSWEBKWTED-UHFFFAOYSA-N 1 0 389.949 1.150 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CCOC1C[NH2+]C1 ZINC000564321110 650754505 /nfs/dbraw/zinc/75/45/05/650754505.db2.gz PFPHIIQAYNCMHB-UHFFFAOYSA-N 1 0 384.274 1.581 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N(CCNC(C)=O)Cc1ccc(C)s1 ZINC000564617202 650762868 /nfs/dbraw/zinc/76/28/68/650762868.db2.gz ZQSZIEGVCFZSDD-UHFFFAOYSA-N 1 0 375.560 1.666 20 0 GDADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCC1 ZINC000564865088 650770519 /nfs/dbraw/zinc/77/05/19/650770519.db2.gz WDKCCDQCXWYVQV-CYBMUJFWSA-N 1 0 392.315 1.746 20 0 GDADRO CO[C@@H](C[NH3+])CC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000564936759 650773425 /nfs/dbraw/zinc/77/34/25/650773425.db2.gz JAVJJEQCEYNGJW-CQSZACIVSA-N 1 0 388.281 1.596 20 0 GDADRO COc1ccsc1S(=O)(=O)N(CCn1ccnc1)Cc1cnn(C)c1 ZINC000565054297 650778413 /nfs/dbraw/zinc/77/84/13/650778413.db2.gz KKZOPQXFPXLQHQ-UHFFFAOYSA-N 1 0 381.483 1.578 20 0 GDADRO O[C@@H](C[NH2+]CCN1CCSCC1)COc1cc(F)cc(Br)c1 ZINC000565300827 650791020 /nfs/dbraw/zinc/79/10/20/650791020.db2.gz XZVYIGQTVVIGNB-AWEZNQCLSA-N 1 0 393.322 1.966 20 0 GDADRO O=C(C[C@@H]1COCC[NH2+]1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000565298595 650791025 /nfs/dbraw/zinc/79/10/25/650791025.db2.gz DDKNNJQAIVKNDT-CQSZACIVSA-N 1 0 384.274 1.064 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cc(Cl)ccc2Br)CC[NH2+]1 ZINC000565303348 650791199 /nfs/dbraw/zinc/79/11/99/650791199.db2.gz JLXSQVARZNSOPA-CABZTGNLSA-N 1 0 388.693 1.975 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2nc3ccccc3s2)CC1 ZINC000565360780 650793393 /nfs/dbraw/zinc/79/33/93/650793393.db2.gz VYBFIZOPEYODNR-CQSZACIVSA-N 1 0 382.555 1.848 20 0 GDADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000565470444 650798258 /nfs/dbraw/zinc/79/82/58/650798258.db2.gz QCIBZDIHBQYMQG-YPMHNXCESA-N 1 0 391.273 1.738 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000565715593 650809442 /nfs/dbraw/zinc/80/94/42/650809442.db2.gz GRWHCELSHWUJFQ-CQSZACIVSA-N 1 0 375.441 1.443 20 0 GDADRO COc1ccc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc1Br ZINC000565831809 650816479 /nfs/dbraw/zinc/81/64/79/650816479.db2.gz HFOPOGFYAYPZOP-UHFFFAOYSA-N 1 0 381.234 1.238 20 0 GDADRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ncc(Br)cn1 ZINC000565877685 650819151 /nfs/dbraw/zinc/81/91/51/650819151.db2.gz FFSDWZDAUGSHIX-DGCLKSJQSA-N 1 0 386.294 1.446 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000565951402 650822753 /nfs/dbraw/zinc/82/27/53/650822753.db2.gz RVWNGVFCYQXVEN-ZJUUUORDSA-N 1 0 380.297 1.467 20 0 GDADRO CC[NH2+]CCCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000566009353 650825993 /nfs/dbraw/zinc/82/59/93/650825993.db2.gz OVVUPUFHMXFMEV-UHFFFAOYSA-N 1 0 389.543 1.139 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)cc1Br ZINC000566203642 650834584 /nfs/dbraw/zinc/83/45/84/650834584.db2.gz VKKUCSMZDBOQJA-ZDUSSCGKSA-N 1 0 382.302 1.993 20 0 GDADRO CN(C(=O)CCCS(=O)(=O)c1cccc(Br)c1)C1CC([NH3+])C1 ZINC000566211809 650834911 /nfs/dbraw/zinc/83/49/11/650834911.db2.gz KWDSOTIFMVCYRJ-UHFFFAOYSA-N 1 0 389.315 1.951 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566676769 650863174 /nfs/dbraw/zinc/86/31/74/650863174.db2.gz DSGQBUCCRNEDDJ-YGRLFVJLSA-N 1 0 386.265 1.504 20 0 GDADRO 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KEHRHRYDMOJRHH-LBPRGKRZSA-N 1 0 392.543 1.353 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000415418136 645893107 /nfs/dbraw/zinc/89/31/07/645893107.db2.gz OCMVARIKAVOOJO-VIFPVBQESA-N 1 0 386.246 1.370 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415422665 645894194 /nfs/dbraw/zinc/89/41/94/645894194.db2.gz ZSJQIYQEHAZKBM-QMMMGPOBSA-N 1 0 393.200 1.341 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000415507995 645894644 /nfs/dbraw/zinc/89/46/44/645894644.db2.gz DYWVZYUKCDWKCG-MRVPVSSYSA-N 1 0 376.226 1.636 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1)C1CC1 ZINC000415529977 645896499 /nfs/dbraw/zinc/89/64/99/645896499.db2.gz BSCSWNOPMQMMNP-LBPRGKRZSA-N 1 0 383.239 1.366 20 0 GDADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415531972 645896787 /nfs/dbraw/zinc/89/67/87/645896787.db2.gz YYNHCXSBYBETPS-AWEZNQCLSA-N 1 0 381.274 1.773 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(C)c(I)c1 ZINC000415535799 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/nfs/dbraw/zinc/05/71/61/651057161.db2.gz CAKSTLDYBSSQCP-NSHDSACASA-N 1 0 377.869 1.214 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000419523091 645923042 /nfs/dbraw/zinc/92/30/42/645923042.db2.gz OEPUZWZBSVFLGQ-CQSZACIVSA-N 1 0 382.302 1.663 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)Oc1ccc(Br)cc1 ZINC000419608442 645924912 /nfs/dbraw/zinc/92/49/12/645924912.db2.gz HXOYRRKHBNAVOA-VXGBXAGGSA-N 1 0 384.274 1.153 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cccc(Br)c1 ZINC000419642614 645925533 /nfs/dbraw/zinc/92/55/33/645925533.db2.gz MLFZBTKFMSLDKU-MFKMUULPSA-N 1 0 384.274 1.295 20 0 GDADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419645587 645926297 /nfs/dbraw/zinc/92/62/97/645926297.db2.gz IONFFFHRTGHOEI-QMTHXVAHSA-N 1 0 398.326 1.780 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419644566 645926388 /nfs/dbraw/zinc/92/63/88/645926388.db2.gz XNDLVLWPPOGDQT-ZOWXZIJZSA-N 1 0 398.301 1.449 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccc(Br)s1 ZINC000419713050 645928677 /nfs/dbraw/zinc/92/86/77/645928677.db2.gz RHRWXDGRLSCFFJ-RCWTZXSCSA-N 1 0 386.315 1.884 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419771184 645931297 /nfs/dbraw/zinc/93/12/97/645931297.db2.gz FFVZNHQJWYAVBP-JQWIXIFHSA-N 1 0 384.274 1.585 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419768711 645931367 /nfs/dbraw/zinc/93/13/67/645931367.db2.gz BXSCLJQCZYPYRU-XPTSAGLGSA-N 1 0 386.265 1.961 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)C[C@H]1[NH3+] ZINC000419772506 645931646 /nfs/dbraw/zinc/93/16/46/645931646.db2.gz GKEBWTCDEHMYOD-ZWZTZDBGSA-N 1 0 398.276 1.961 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419869444 645932654 /nfs/dbraw/zinc/93/26/54/645932654.db2.gz WEPAASHGSVWCHJ-LBPRGKRZSA-N 1 0 398.301 1.532 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000420066586 645934867 /nfs/dbraw/zinc/93/48/67/645934867.db2.gz RFRDRSXFNQYIOM-CABCVRRESA-N 1 0 386.279 1.747 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000420154654 645936424 /nfs/dbraw/zinc/93/64/24/645936424.db2.gz JBDVJURFRHTTEX-GFCCVEGCSA-N 1 0 382.302 1.756 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000420159316 645936989 /nfs/dbraw/zinc/93/69/89/645936989.db2.gz IIHLHQJDZWQPKF-HZMBPMFUSA-N 1 0 386.265 1.803 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000420159950 645937022 /nfs/dbraw/zinc/93/70/22/645937022.db2.gz IOOIOAWLTFGLEF-LBPRGKRZSA-N 1 0 386.290 1.321 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420181586 645937533 /nfs/dbraw/zinc/93/75/33/645937533.db2.gz DNEBXMXUVZISGY-CQSZACIVSA-N 1 0 398.301 1.292 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000420187353 645938105 /nfs/dbraw/zinc/93/81/05/645938105.db2.gz DDWDNKRTHGRJHG-DGCLKSJQSA-N 1 0 398.301 1.660 20 0 GDADRO C[NH2+]CCN(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000420335808 645940271 /nfs/dbraw/zinc/94/02/71/645940271.db2.gz JEKZFYKIMIKXIQ-NSHDSACASA-N 1 0 376.910 1.069 20 0 GDADRO O=C1[C@@H](N2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Br)c1 ZINC000420350207 645940917 /nfs/dbraw/zinc/94/09/17/645940917.db2.gz RZMBZPBMUHYJGN-SJORKVTESA-N 1 0 393.329 1.534 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000420363620 645942194 /nfs/dbraw/zinc/94/21/94/645942194.db2.gz ODZUNSPKXZUTHE-CYBMUJFWSA-N 1 0 385.306 1.467 20 0 GDADRO CN(CC[NH3+])S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000420472950 645943220 /nfs/dbraw/zinc/94/32/20/645943220.db2.gz TXMKJDAPASWJRY-UHFFFAOYSA-N 1 0 390.072 1.930 20 0 GDADRO Cc1cc(CCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1Br ZINC000570987174 651061715 /nfs/dbraw/zinc/06/17/15/651061715.db2.gz XJWITNHMPQCPPT-HIFRSBDPSA-N 1 0 380.286 1.461 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000421298046 646002245 /nfs/dbraw/zinc/00/22/45/646002245.db2.gz METVJCNFHOFYIZ-CYBMUJFWSA-N 1 0 384.274 1.949 20 0 GDADRO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000421395763 646008685 /nfs/dbraw/zinc/00/86/85/646008685.db2.gz VITVOGFUBSTOOT-AWEZNQCLSA-N 1 0 382.302 1.854 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000422127634 646043749 /nfs/dbraw/zinc/04/37/49/646043749.db2.gz DMWOEGRLZGIFCV-LLVKDONJSA-N 1 0 394.324 1.824 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422198502 646049080 /nfs/dbraw/zinc/04/90/80/646049080.db2.gz ZPIAZPBIQJEIGC-ZDUSSCGKSA-N 1 0 384.318 1.954 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000422392668 646064027 /nfs/dbraw/zinc/06/40/27/646064027.db2.gz BGVDBAATNJHYFD-UWVGGRQHSA-N 1 0 378.420 1.892 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422476670 646068820 /nfs/dbraw/zinc/06/88/20/646068820.db2.gz LOLLLHRPVNQVJC-OAHLLOKOSA-N 1 0 396.329 1.908 20 0 GDADRO CC(C)(CC[NH3+])NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000422554043 646078011 /nfs/dbraw/zinc/07/80/11/646078011.db2.gz VUHGMUOJRYXSPT-HNNXBMFYSA-N 1 0 387.933 1.991 20 0 GDADRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000422925869 646099952 /nfs/dbraw/zinc/09/99/52/646099952.db2.gz VQJVWJVHVYBMTO-BBRMVZONSA-N 1 0 385.917 1.561 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422953800 646102808 /nfs/dbraw/zinc/10/28/08/646102808.db2.gz GMPTVLFOZRTNDL-ZDUSSCGKSA-N 1 0 394.313 1.851 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422963978 646103792 /nfs/dbraw/zinc/10/37/92/646103792.db2.gz KBGZSJQZJUVSFV-OAHLLOKOSA-N 1 0 382.302 1.838 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000422992639 646106304 /nfs/dbraw/zinc/10/63/04/646106304.db2.gz RRLGGJLFRXNVIH-GXTWGEPZSA-N 1 0 382.302 1.851 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000423001113 646107576 /nfs/dbraw/zinc/10/75/76/646107576.db2.gz WQJKCHPKXKERNK-GXTWGEPZSA-N 1 0 382.302 1.851 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000423007287 646107996 /nfs/dbraw/zinc/10/79/96/646107996.db2.gz XLHFAEHFCQKDMY-AWEZNQCLSA-N 1 0 398.301 1.497 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000423008283 646108935 /nfs/dbraw/zinc/10/89/35/646108935.db2.gz ZRKOCZIISQVFRR-STQMWFEESA-N 1 0 398.301 1.495 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000423070278 646110984 /nfs/dbraw/zinc/11/09/84/646110984.db2.gz FWSVRHPZOROWAI-AWEZNQCLSA-N 1 0 380.286 1.760 20 0 GDADRO OC[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)Cc1ccccc1Br ZINC000423075367 646111683 /nfs/dbraw/zinc/11/16/83/646111683.db2.gz OJVZGTODAPHRBE-VHSSKADRSA-N 1 0 383.330 1.957 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423102143 646114432 /nfs/dbraw/zinc/11/44/32/646114432.db2.gz NZDRTVIIGDTTPX-OKILXGFUSA-N 1 0 380.286 1.475 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000423173607 646117779 /nfs/dbraw/zinc/11/77/79/646117779.db2.gz ZJCDLPLSWVBCPU-HUUCEWRRSA-N 1 0 380.286 1.933 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH3+] ZINC000423176355 646118063 /nfs/dbraw/zinc/11/80/63/646118063.db2.gz GXVDROGFHZDCKS-NHYWBVRUSA-N 1 0 388.295 1.510 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000423199507 646119108 /nfs/dbraw/zinc/11/91/08/646119108.db2.gz BSPKTFNCKDHFAN-DOMZBBRYSA-N 1 0 396.285 1.169 20 0 GDADRO Cc1c([C@H](C)NC[C@H]2C[NH2+]CCO2)nnn1-c1cccc(Br)c1 ZINC000423518134 646126730 /nfs/dbraw/zinc/12/67/30/646126730.db2.gz IIQXTEJPRJUXFU-XHDPSFHLSA-N 1 0 380.290 1.977 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC=C(c3cccc(Br)c3)CC2)C1 ZINC000423566609 646130904 /nfs/dbraw/zinc/13/09/04/646130904.db2.gz JWCODUCORQTHHA-ZDUSSCGKSA-N 1 0 392.297 1.872 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000423573026 646132067 /nfs/dbraw/zinc/13/20/67/646132067.db2.gz QQXBDZKGWYARFI-UHFFFAOYSA-N 1 0 382.302 1.710 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000423577166 646132112 /nfs/dbraw/zinc/13/21/12/646132112.db2.gz GFXXHYRBSORWCH-GXTWGEPZSA-N 1 0 396.285 1.551 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000423589492 646134400 /nfs/dbraw/zinc/13/44/00/646134400.db2.gz ICCWBLULNCIJNM-UKRRQHHQSA-N 1 0 395.301 1.718 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423596324 646135242 /nfs/dbraw/zinc/13/52/42/646135242.db2.gz MRDYFNROLMUKTK-DZGCQCFKSA-N 1 0 394.313 1.866 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000423606910 646136505 /nfs/dbraw/zinc/13/65/05/646136505.db2.gz LWDSYHWKZQFUPD-DOMZBBRYSA-N 1 0 396.285 1.169 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423623092 646137791 /nfs/dbraw/zinc/13/77/91/646137791.db2.gz NOPOCQMLPGVQAM-AWEZNQCLSA-N 1 0 398.301 1.756 20 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646148333 /nfs/dbraw/zinc/14/83/33/646148333.db2.gz YSKXNKHFLDBBGJ-BXKDBHETSA-N 1 0 380.297 1.467 20 0 GDADRO O=C(CCCS(=O)(=O)N1CCCC1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423976955 646148403 /nfs/dbraw/zinc/14/84/03/646148403.db2.gz HHLLTPZCXIWZBF-UHFFFAOYSA-N 1 0 386.543 1.754 20 0 GDADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000423988216 646149503 /nfs/dbraw/zinc/14/95/03/646149503.db2.gz XAPLTWDGECZDDH-IUODEOHRSA-N 1 0 381.523 1.794 20 0 GDADRO COc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)sc1S(N)(=O)=O ZINC000423995796 646151241 /nfs/dbraw/zinc/15/12/41/646151241.db2.gz JSVAPROUTOJWMS-LBPRGKRZSA-N 1 0 381.479 1.191 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CCCO1 ZINC000424006827 646151936 /nfs/dbraw/zinc/15/19/36/646151936.db2.gz BPRYGKCKCUQISC-LLVKDONJSA-N 1 0 381.885 1.861 20 0 GDADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000424066951 646159087 /nfs/dbraw/zinc/15/90/87/646159087.db2.gz YYKHLUZMBJLILL-OAHLLOKOSA-N 1 0 399.329 1.957 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CCCCS(C)(=O)=O)CC2)cc1 ZINC000424307806 646173918 /nfs/dbraw/zinc/17/39/18/646173918.db2.gz MPRHOTNFZFYKJU-UHFFFAOYSA-N 1 0 388.555 1.563 20 0 GDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1ccccc1Br ZINC000432545389 646191443 /nfs/dbraw/zinc/19/14/43/646191443.db2.gz IAZYDHIPGZTBPB-UHFFFAOYSA-N 1 0 384.318 1.569 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1O)NCC[NH+]1CCCCCC1 ZINC000436706302 646205217 /nfs/dbraw/zinc/20/52/17/646205217.db2.gz PBVAKFNCEISJLS-UHFFFAOYSA-N 1 0 398.301 1.877 20 0 GDADRO C[C@H](CNC(=O)NCCNS(=O)(=O)c1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000437409285 646208537 /nfs/dbraw/zinc/20/85/37/646208537.db2.gz GDPVRXMFXRKREJ-ZIAGYGMSSA-N 1 0 388.559 1.589 20 0 GDADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439430611 646230870 /nfs/dbraw/zinc/23/08/70/646230870.db2.gz MNMXTFZYHWJIIX-BPLDGKMQSA-N 1 0 389.265 1.962 20 0 GDADRO C[C@H]1CN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC[N@@H+]1CCO ZINC000439442233 646233024 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C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccccc3Br)C2)CC1 ZINC000917892130 660223827 /nfs/dbraw/zinc/22/38/27/660223827.db2.gz WSUKTLDGLRSMKM-UHFFFAOYSA-N 1 0 388.331 1.317 20 0 GDADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(I)s2)C1 ZINC000903495546 659318465 /nfs/dbraw/zinc/31/84/65/659318465.db2.gz BXQKZAFTAURXNB-MRVPVSSYSA-N 1 0 386.280 1.725 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NCC2([NH3+])CC2)c1 ZINC000903527483 659330409 /nfs/dbraw/zinc/33/04/09/659330409.db2.gz MYJMFSXQFGYKOH-UHFFFAOYSA-N 1 0 377.260 1.395 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2ccc(Br)cc2Br)CC1 ZINC000903527164 659330561 /nfs/dbraw/zinc/33/05/61/659330561.db2.gz JUAFOTSYTJZSCV-UHFFFAOYSA-N 1 0 384.093 1.981 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000918947984 660243472 /nfs/dbraw/zinc/24/34/72/660243472.db2.gz VKUQYDZFLBKNJD-INIZCTEOSA-N 1 0 390.889 1.204 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)s1 ZINC000918948010 660243493 /nfs/dbraw/zinc/24/34/93/660243493.db2.gz VVSFBVCOFDYYRS-MLGOLLRUSA-N 1 0 389.543 1.022 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000918948300 660243494 /nfs/dbraw/zinc/24/34/94/660243494.db2.gz ZPAHUJZBALHQIQ-HNNXBMFYSA-N 1 0 380.432 1.924 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000918954940 660243648 /nfs/dbraw/zinc/24/36/48/660243648.db2.gz ALCVDIBANXCZFN-CQSZACIVSA-N 1 0 388.358 1.459 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)Cc2ccsc2Br)C1 ZINC000918962545 660244045 /nfs/dbraw/zinc/24/40/45/660244045.db2.gz LSRCAQFEACFSNA-ZDUSSCGKSA-N 1 0 397.360 1.729 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000918963123 660244046 /nfs/dbraw/zinc/24/40/46/660244046.db2.gz RJXFUCLFNWXYLG-CQSZACIVSA-N 1 0 395.294 1.665 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2cscc2Br)C1 ZINC000918969055 660244230 /nfs/dbraw/zinc/24/42/30/660244230.db2.gz CEHFFDKIRHDJHG-LBPRGKRZSA-N 1 0 383.333 1.588 20 0 GDADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000443014469 647170499 /nfs/dbraw/zinc/17/04/99/647170499.db2.gz PSYPOWBPNMEWHB-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000443313177 647199470 /nfs/dbraw/zinc/19/94/70/647199470.db2.gz ILAHOEOJAORWHR-UHFFFAOYSA-N 1 0 378.560 1.607 20 0 GDADRO C[C@H](CNc1ncc(Br)cc1S(N)(=O)=O)C[NH+]1CCCC1 ZINC000443429172 647206392 /nfs/dbraw/zinc/20/63/92/647206392.db2.gz KIPIZFDOMHQEJB-SNVBAGLBSA-N 1 0 377.308 1.635 20 0 GDADRO O=C(CS(=O)(=O)Cc1cccc(Br)c1)NCC[C@H]1CCC[NH2+]1 ZINC000444257755 647247141 /nfs/dbraw/zinc/24/71/41/647247141.db2.gz FSVKKAGXNVBEGL-CQSZACIVSA-N 1 0 389.315 1.622 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000445554107 647270239 /nfs/dbraw/zinc/27/02/39/647270239.db2.gz YKJSQTGSUDKDEJ-CHWSQXEVSA-N 1 0 380.919 1.433 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000445815495 647274491 /nfs/dbraw/zinc/27/44/91/647274491.db2.gz LGYWCTFIEBGZCK-ZDUSSCGKSA-N 1 0 395.294 1.981 20 0 GDADRO C[NH+](C)CCCNC(=S)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000920081419 660265279 /nfs/dbraw/zinc/26/52/79/660265279.db2.gz QTVQWMXAYXBZOC-CYBMUJFWSA-N 1 0 379.448 1.861 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446359634 647286837 /nfs/dbraw/zinc/28/68/37/647286837.db2.gz KQBBUBMLIIUHTH-TUKIKUTGSA-N 1 0 380.286 1.920 20 0 GDADRO CN(Cc1ncc(Br)cn1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000920592692 660273547 /nfs/dbraw/zinc/27/35/47/660273547.db2.gz VUIFSHPHPGPAPD-AWEZNQCLSA-N 1 0 389.319 1.487 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000453802514 647337052 /nfs/dbraw/zinc/33/70/52/647337052.db2.gz DCFCYFBLYUXASD-GFCCVEGCSA-N 1 0 399.289 1.054 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000453807085 647338122 /nfs/dbraw/zinc/33/81/22/647338122.db2.gz OUAQLXKBCZNWCK-CQSZACIVSA-N 1 0 398.301 1.659 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000453810160 647338724 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C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000457974196 647430826 /nfs/dbraw/zinc/43/08/26/647430826.db2.gz JWBOJTGJIUUNMY-HNNXBMFYSA-N 1 0 388.559 1.245 20 0 GDADRO CN(CCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccs1 ZINC000458572348 647443690 /nfs/dbraw/zinc/44/36/90/647443690.db2.gz LCIFLNUDTZEISR-AWEZNQCLSA-N 1 0 388.559 1.400 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC(C)(C)C[NH+]2CCCC2)s1 ZINC000458573623 647444194 /nfs/dbraw/zinc/44/41/94/647444194.db2.gz MDYGVDLJVRKWQG-UHFFFAOYSA-N 1 0 388.559 1.508 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685752 647463785 /nfs/dbraw/zinc/46/37/85/647463785.db2.gz BFALVWFNLIHGRT-ZYHUDNBSSA-N 1 0 382.295 1.762 20 0 GDADRO C[C@H]1C[C@H](NC(=O)NCCOCC[NH+](C)C)c2ccsc2S1(=O)=O ZINC000460836066 647475970 /nfs/dbraw/zinc/47/59/70/647475970.db2.gz ODDXLIVGWAGAIL-AAEUAGOBSA-N 1 0 375.516 1.233 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461417063 647493306 /nfs/dbraw/zinc/49/33/06/647493306.db2.gz GPDLFFLWJLZKPR-CVEARBPZSA-N 1 0 391.603 1.382 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000461778423 647501171 /nfs/dbraw/zinc/50/11/71/647501171.db2.gz RYRBBJNDWCLIOQ-INIZCTEOSA-N 1 0 384.318 1.955 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000461800073 647501956 /nfs/dbraw/zinc/50/19/56/647501956.db2.gz GVRAQRVMZBHHAD-HOTGVXAUSA-N 1 0 376.567 1.420 20 0 GDADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000461902085 647503311 /nfs/dbraw/zinc/50/33/11/647503311.db2.gz QGGWKEPPQJPREF-LLVKDONJSA-N 1 0 391.287 1.578 20 0 GDADRO CCCN(CC[NH+](CC)CC)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000461959483 647504475 /nfs/dbraw/zinc/50/44/75/647504475.db2.gz SPNQQZAKDIRKQY-UHFFFAOYSA-N 1 0 376.567 1.421 20 0 GDADRO CC[NH+]1CCN(CC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000461975066 647504667 /nfs/dbraw/zinc/50/46/67/647504667.db2.gz VZCVLRHEVNHPEZ-UHFFFAOYSA-N 1 0 397.317 1.531 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462397029 647526616 /nfs/dbraw/zinc/52/66/16/647526616.db2.gz LIESWFSHCPYCMY-HNNXBMFYSA-N 1 0 392.930 1.259 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462405991 647526864 /nfs/dbraw/zinc/52/68/64/647526864.db2.gz GPHCQFOKIQSMGZ-GOSISDBHSA-N 1 0 396.329 1.972 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000462794668 647544045 /nfs/dbraw/zinc/54/40/45/647544045.db2.gz HTAIMMIPOMMNJI-UHFFFAOYSA-N 1 0 396.329 1.980 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000464350986 647578524 /nfs/dbraw/zinc/57/85/24/647578524.db2.gz FCPRETIVMFZJOZ-JKSUJKDBSA-N 1 0 391.603 1.428 20 0 GDADRO C[C@H]1C[C@H](NC(=O)NCCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000465704832 647603058 /nfs/dbraw/zinc/60/30/58/647603058.db2.gz LALCMWKPBZXDQZ-SWLSCSKDSA-N 1 0 397.317 1.961 20 0 GDADRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1nc(Br)c[nH]1 ZINC000921526975 660307231 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CCS(=O)(=O)c1ccccc1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000921579076 660310490 /nfs/dbraw/zinc/31/04/90/660310490.db2.gz QKIFIFZAGAQCFR-UHFFFAOYSA-N 1 0 388.555 1.428 20 0 GDADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000470759604 647732754 /nfs/dbraw/zinc/73/27/54/647732754.db2.gz HRYGIWQTUNSEJZ-UHFFFAOYSA-N 1 0 384.893 1.673 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000921589473 660311863 /nfs/dbraw/zinc/31/18/63/660311863.db2.gz WAMGHRFSAPTILO-UONOGXRCSA-N 1 0 387.468 1.043 20 0 GDADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000476189196 647772551 /nfs/dbraw/zinc/77/25/51/647772551.db2.gz GBUOPEOUJKKZSM-CQSZACIVSA-N 1 0 387.571 1.834 20 0 GDADRO C[NH+](C)CCOCCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000476269048 647776046 /nfs/dbraw/zinc/77/60/46/647776046.db2.gz OSTGJVZVYBKIKH-HNNXBMFYSA-N 1 0 385.917 1.550 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000477061927 647792404 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GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000519738014 648638210 /nfs/dbraw/zinc/63/82/10/648638210.db2.gz VXWRVGKSQGTHPH-MRXNPFEDSA-N 1 0 384.479 1.033 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000520347343 648648560 /nfs/dbraw/zinc/64/85/60/648648560.db2.gz YGBMPWHDKHDOPO-HNNXBMFYSA-N 1 0 387.933 1.999 20 0 GDADRO COC1CC[NH+](C2(CNC(=O)NCCCS(C)(=O)=O)CCCC2)CC1 ZINC000520817982 648650512 /nfs/dbraw/zinc/65/05/12/648650512.db2.gz QIQQVSSUZUJCON-UHFFFAOYSA-N 1 0 375.535 1.144 20 0 GDADRO C[C@H](C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)S(C)(=O)=O ZINC000520812914 648650705 /nfs/dbraw/zinc/65/07/05/648650705.db2.gz JGCCTHZQXURIQD-ZYHUDNBSSA-N 1 0 382.295 1.762 20 0 GDADRO CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000521867003 648660937 /nfs/dbraw/zinc/66/09/37/648660937.db2.gz BLMYIQDRGYWRAM-ZDUSSCGKSA-N 1 0 390.303 1.019 20 0 GDADRO CC(C)CN(C(=O)CCNS(=O)(=O)c1cccs1)C1CC[NH+](C)CC1 ZINC000522266635 648674645 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C[C@H](C[NH3+])N(C)S(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000571045953 651064513 /nfs/dbraw/zinc/06/45/13/651064513.db2.gz QHCDGOCQKCVJJR-SECBINFHSA-N 1 0 398.312 1.428 20 0 GDADRO O=C(CCOC1C[NH2+]C1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000571194544 651068816 /nfs/dbraw/zinc/06/88/16/651068816.db2.gz YWPCSFHRZVZSHA-UHFFFAOYSA-N 1 0 386.279 1.656 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC[NH+]1CCCCC1 ZINC000571248346 651069671 /nfs/dbraw/zinc/06/96/71/651069671.db2.gz JOFHFXIBAOZTRC-UHFFFAOYSA-N 1 0 394.324 1.874 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000571485094 651077783 /nfs/dbraw/zinc/07/77/83/651077783.db2.gz DLQGDUUPXHAWGQ-GFCCVEGCSA-N 1 0 395.522 1.596 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000571521937 651078992 /nfs/dbraw/zinc/07/89/92/651078992.db2.gz GAGZSIYTHBYJDC-STQMWFEESA-N 1 0 379.404 1.854 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c(Br)c1 ZINC000571533035 651079091 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O=C(NC[C@H]1C[NH2+]CCCO1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000572263951 651093527 /nfs/dbraw/zinc/09/35/27/651093527.db2.gz HXZBKFDRAFMZIW-CYBMUJFWSA-N 1 0 376.284 1.876 20 0 GDADRO CSC1(CNS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)CC[NH+](C)CC1 ZINC000572473390 651097977 /nfs/dbraw/zinc/09/79/77/651097977.db2.gz SADHCBKNRKXYOD-UHFFFAOYSA-N 1 0 382.511 1.029 20 0 GDADRO NS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)c1 ZINC000572714027 651102916 /nfs/dbraw/zinc/10/29/16/651102916.db2.gz ULQBXXITVBHRRA-MRXNPFEDSA-N 1 0 384.885 1.655 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(I)c2)C1 ZINC000572760917 651105049 /nfs/dbraw/zinc/10/50/49/651105049.db2.gz JCYXRAUCPWAVJD-NSHDSACASA-N 1 0 394.278 1.830 20 0 GDADRO CS(=O)(=O)N1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000573101043 651467983 /nfs/dbraw/zinc/46/79/83/651467983.db2.gz GJTQBTTUXRZTBF-JKSUJKDBSA-N 1 0 385.917 1.183 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)C2)nn1 ZINC000573310726 651475579 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GDADRO C[C@H]([NH2+]C1CC1)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000573798416 651494904 /nfs/dbraw/zinc/49/49/04/651494904.db2.gz MYVWNYUAIQUGCR-NSHDSACASA-N 1 0 391.946 1.765 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[NH2+][C@H](C)[C@H]1C ZINC000573921613 651501859 /nfs/dbraw/zinc/50/18/59/651501859.db2.gz DOAITYWGDCVVDB-HUUCEWRRSA-N 1 0 388.555 1.326 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000573942590 651503752 /nfs/dbraw/zinc/50/37/52/651503752.db2.gz OZBQQPOIAYIWLA-LBPRGKRZSA-N 1 0 386.265 1.444 20 0 GDADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1COCCO1 ZINC000574253037 651525572 /nfs/dbraw/zinc/52/55/72/651525572.db2.gz JFLLAEUSCHRACD-MLGOLLRUSA-N 1 0 398.301 1.943 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)c2nc3ccc(Br)cn3n2)CC1(C)C ZINC000574290727 651529196 /nfs/dbraw/zinc/52/91/96/651529196.db2.gz NGWDXRQFFVVURR-UHFFFAOYSA-N 1 0 395.305 1.248 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000574324292 651532935 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GDADRO CN1CCN(C(=O)Nc2cccc(F)c2I)[C@@H](C[NH3+])C1 ZINC000574740541 651564855 /nfs/dbraw/zinc/56/48/55/651564855.db2.gz CJCBKHGFOODVCB-VIFPVBQESA-N 1 0 392.216 1.537 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCCOc3ccccc3Br)CCN2C1=O ZINC000574770810 651567504 /nfs/dbraw/zinc/56/75/04/651567504.db2.gz OLDFFCCEDYPENM-GXTWGEPZSA-N 1 0 396.285 1.379 20 0 GDADRO Cc1nc(NCC2([S@@](C)=O)CCC2)cc(NCC2([S@@](C)=O)CCC2)[nH+]1 ZINC000574830487 651572612 /nfs/dbraw/zinc/57/26/12/651572612.db2.gz JGZDSSMHFUFQLF-DQEYMECFSA-N 1 0 384.571 2.211 20 0 GDADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1COc2ccc(Br)cc21 ZINC000574839073 651573217 /nfs/dbraw/zinc/57/32/17/651573217.db2.gz CYZBEWKXDPSVNW-RHSMWYFYSA-N 1 0 381.270 1.498 20 0 GDADRO CC[NH2+]CCCNC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000575121859 651583507 /nfs/dbraw/zinc/58/35/07/651583507.db2.gz KGIBLAJDKSQASW-UHFFFAOYSA-N 1 0 392.319 1.429 20 0 GDADRO COC(=O)c1cc(NC(=O)C[C@H]2C[NH2+]CCO2)cc(Br)c1F ZINC000575124722 651584253 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COc1cc(Cl)ccc1S(=O)(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604408371 652740084 /nfs/dbraw/zinc/74/00/84/652740084.db2.gz LPIUTCNBRWPGDV-OAHLLOKOSA-N 1 0 387.933 1.749 20 0 GDADRO CC[C@@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[NH+](CC)CC ZINC000605426015 652756569 /nfs/dbraw/zinc/75/65/69/652756569.db2.gz KPSQRAGFTISWPT-HNNXBMFYSA-N 1 0 375.922 1.855 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)C[C@@H]1C ZINC000607160832 652792337 /nfs/dbraw/zinc/79/23/37/652792337.db2.gz CTBHSLNTJQAPAY-KBPBESRZSA-N 1 0 389.543 1.088 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000607173225 652795147 /nfs/dbraw/zinc/79/51/47/652795147.db2.gz PRAYSAXBSBYORJ-KLHDSHLOSA-N 1 0 375.535 1.141 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSc2nnnn2CC(F)(F)F)[C@@H](C)C1 ZINC000607519716 652801959 /nfs/dbraw/zinc/80/19/59/652801959.db2.gz FCXGWUQDNKVLEO-WDEREUQCSA-N 1 0 380.440 1.516 20 0 GDADRO C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C[C@@H]1[NH+](C)C 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Cc1sc(CCNS(=O)(=O)C[C@H]2C[NH2+]CCO2)nc1-c1ccccc1 ZINC000631926078 653272541 /nfs/dbraw/zinc/27/25/41/653272541.db2.gz MUXRPNSXKYYZLD-OAHLLOKOSA-N 1 0 381.523 1.569 20 0 GDADRO O=S(=O)(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cc(Br)c1 ZINC000631938969 653274996 /nfs/dbraw/zinc/27/49/96/653274996.db2.gz PXMXKGWZDWOCHY-URLYPYJESA-N 1 0 396.104 1.708 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cscc2Br)CC12CCOCC2 ZINC000631941513 653275523 /nfs/dbraw/zinc/27/55/23/653275523.db2.gz ZCSNHYRCMSSHJR-SNVBAGLBSA-N 1 0 395.344 1.887 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000631949622 653277427 /nfs/dbraw/zinc/27/74/27/653277427.db2.gz LAPFSQVGFPARSG-LBPRGKRZSA-N 1 0 380.436 1.839 20 0 GDADRO CC[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631952537 653278342 /nfs/dbraw/zinc/27/83/42/653278342.db2.gz LKJYERRGYLJYNR-GJZGRUSLSA-N 1 0 391.331 1.678 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000631954256 653278682 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1.585 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000632005155 653288473 /nfs/dbraw/zinc/28/84/73/653288473.db2.gz IVXOXNBQFZLNQO-LLVKDONJSA-N 1 0 385.313 1.604 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cscc1Br)N1CC[NH+](C)CC1 ZINC000632020382 653290885 /nfs/dbraw/zinc/29/08/85/653290885.db2.gz DCCZTMYILHVYSX-JTQLQIEISA-N 1 0 382.349 1.425 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)sc2c1)CN1CC[NH+](C)CC1 ZINC000632031974 653293195 /nfs/dbraw/zinc/29/31/95/653293195.db2.gz RCDQCYIKHWTJFY-GFCCVEGCSA-N 1 0 384.527 1.164 20 0 GDADRO C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)Oc1ccccc1Cl ZINC000632038201 653294197 /nfs/dbraw/zinc/29/41/97/653294197.db2.gz RMCQUSSSAFRGSS-HNNXBMFYSA-N 1 0 389.949 1.664 20 0 GDADRO Cn1c2ccc(S(=O)(=O)N3CCN(C)c4cc[nH+]cc43)cc2sc1=O ZINC000632084359 653302476 /nfs/dbraw/zinc/30/24/76/653302476.db2.gz AIINDBZGFFNCSE-UHFFFAOYSA-N 1 0 376.463 1.640 20 0 GDADRO CCC1(CC)[C@H](OC)C[C@@H]1N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632113222 653307892 /nfs/dbraw/zinc/30/78/92/653307892.db2.gz UWZHAMCCZHOAGX-DLBZAZTESA-N 1 0 375.579 1.479 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)C[C@H]3CCC3(F)F)CC2)CC1 ZINC000632125510 653309432 /nfs/dbraw/zinc/30/94/32/653309432.db2.gz NVRNPARQBFOLPG-OAHLLOKOSA-N 1 0 379.517 1.852 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc2cncc(Br)c2n1 ZINC000632890405 653413502 /nfs/dbraw/zinc/41/35/02/653413502.db2.gz IQTAELDJDGTELW-CYBMUJFWSA-N 1 0 390.285 1.512 20 0 GDADRO O=C(Nc1ccc2nccnc2c1Br)N1CCC([NH2+]CCO)CC1 ZINC000632946525 653416043 /nfs/dbraw/zinc/41/60/43/653416043.db2.gz PDLKIJSZSWYSJO-UHFFFAOYSA-N 1 0 394.273 1.971 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000633041494 653423439 /nfs/dbraw/zinc/42/34/39/653423439.db2.gz FDBXSTXFBSWYCY-GFCCVEGCSA-N 1 0 399.337 1.150 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc(OC)c1Br ZINC000633043238 653423924 /nfs/dbraw/zinc/42/39/24/653423924.db2.gz YTOQNGDFMTZENA-BDAKNGLRSA-N 1 0 386.246 1.353 20 0 GDADRO O=C(Cc1csc(CCC(F)(F)F)n1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000633069270 653425723 /nfs/dbraw/zinc/42/57/23/653425723.db2.gz JZZCSMPHONHBEY-STQMWFEESA-N 1 0 377.432 1.848 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000633106630 653427963 /nfs/dbraw/zinc/42/79/63/653427963.db2.gz NXNRTNHLLOXCRR-KRWDZBQOSA-N 1 0 398.276 1.759 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000633106631 653428143 /nfs/dbraw/zinc/42/81/43/653428143.db2.gz NXNRTNHLLOXCRR-QGZVFWFLSA-N 1 0 398.276 1.759 20 0 GDADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000633783948 653471831 /nfs/dbraw/zinc/47/18/31/653471831.db2.gz VMMRFMALRRCUGJ-MXASKKJJSA-N 1 0 376.298 1.593 20 0 GDADRO CC[NH+]1CCN(CC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000634028283 653484965 /nfs/dbraw/zinc/48/49/65/653484965.db2.gz FFPOGFBSEMDIRW-CGTJXYLNSA-N 1 0 378.314 1.841 20 0 GDADRO COCC(=O)NC1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634643114 653495623 /nfs/dbraw/zinc/49/56/23/653495623.db2.gz WLFHKRWTVTWFIN-HNNXBMFYSA-N 1 0 391.295 1.960 20 0 GDADRO OC[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(Br)c(F)c1 ZINC000634721929 653497334 /nfs/dbraw/zinc/49/73/34/653497334.db2.gz HHFILAZQQWSJDN-DOMZBBRYSA-N 1 0 392.265 1.504 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634749126 653498096 /nfs/dbraw/zinc/49/80/96/653498096.db2.gz GQIMPSSPNDUNCM-JLZZUVOBSA-N 1 0 385.917 1.465 20 0 GDADRO O=C(NCC[NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccc(Br)cc1 ZINC000634954323 653503500 /nfs/dbraw/zinc/50/35/00/653503500.db2.gz ALJPOMNFBPAXSM-AWEZNQCLSA-N 1 0 389.315 1.736 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CNc1ccc(S(C)(=O)=O)cc1)c1ccsc1 ZINC000635239436 653509701 /nfs/dbraw/zinc/50/97/01/653509701.db2.gz FQGKBRTYMCQXLJ-MRXNPFEDSA-N 1 0 381.523 1.983 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)C1CCCCC1 ZINC000635284684 653512578 /nfs/dbraw/zinc/51/25/78/653512578.db2.gz ZHPACBBHCCAQFN-HZSPNIEDSA-N 1 0 384.464 1.836 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635325849 653514263 /nfs/dbraw/zinc/51/42/63/653514263.db2.gz SEFAVXVAKVWFSU-RDBSUJKOSA-N 1 0 384.464 1.980 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 ZINC000635425455 653516977 /nfs/dbraw/zinc/51/69/77/653516977.db2.gz MFPORGVEIPJGPH-UONOGXRCSA-N 1 0 384.464 1.788 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)NCc1cc(F)c(Br)cc1F ZINC000637424959 653528476 /nfs/dbraw/zinc/52/84/76/653528476.db2.gz NLNPWMCSAXACCW-UHFFFAOYSA-N 1 0 380.233 1.841 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000637650432 653530813 /nfs/dbraw/zinc/53/08/13/653530813.db2.gz LSDFVLYJNNFWBK-ARFHVFGLSA-N 1 0 394.313 1.843 20 0 GDADRO C[C@]1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C[NH2+]CCO1 ZINC000637911824 653532045 /nfs/dbraw/zinc/53/20/45/653532045.db2.gz KOZSSOPFTQFNAB-QGZVFWFLSA-N 1 0 386.279 1.656 20 0 GDADRO [NH3+]C[C@@]1(C(=O)NCCNC(=O)c2cccc(Br)c2)CCCOC1 ZINC000637971163 653533822 /nfs/dbraw/zinc/53/38/22/653533822.db2.gz QOQFGLMUMVUANX-INIZCTEOSA-N 1 0 384.274 1.051 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000637984070 653534280 /nfs/dbraw/zinc/53/42/80/653534280.db2.gz ARADETIARWOYHG-GASCZTMLSA-N 1 0 386.587 1.386 20 0 GDADRO [NH3+]C[C@]1(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCCOC1 ZINC000638302385 653537709 /nfs/dbraw/zinc/53/77/09/653537709.db2.gz YAWUGDTVWGGDBP-WMLDXEAASA-N 1 0 386.279 1.970 20 0 GDADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000638299110 653537743 /nfs/dbraw/zinc/53/77/43/653537743.db2.gz IBGLBALYINISFC-PZSREKOKSA-N 1 0 386.279 1.982 20 0 GDADRO C[C@@H]1CN(C(C)(C)C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000638317594 653538092 /nfs/dbraw/zinc/53/80/92/653538092.db2.gz ILYIIVICYLLGJD-HUUCEWRRSA-N 1 0 375.579 1.714 20 0 GDADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000638323578 653538317 /nfs/dbraw/zinc/53/83/17/653538317.db2.gz KHVDAHDJKHXJHN-LRDDRELGSA-N 1 0 395.257 1.882 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638551156 653539723 /nfs/dbraw/zinc/53/97/23/653539723.db2.gz PHWHAMKSJXXGRI-RISCZKNCSA-N 1 0 378.416 1.998 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000638568635 653540331 /nfs/dbraw/zinc/54/03/31/653540331.db2.gz SPFDXZMHTYQGMA-QWHCGFSZSA-N 1 0 379.404 1.240 20 0 GDADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638596966 653541603 /nfs/dbraw/zinc/54/16/03/653541603.db2.gz VLFGQOZGZXUEGH-VBQJREDUSA-N 1 0 378.270 1.670 20 0 GDADRO CC(=O)N[C@@H](CC(=O)NCCOCCC[NH3+])c1ccc(Br)cc1 ZINC000638656521 653542152 /nfs/dbraw/zinc/54/21/52/653542152.db2.gz RQWVWULAYCTORW-HNNXBMFYSA-N 1 0 386.290 1.498 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCCOCCC[NH3+] ZINC000638656367 653542179 /nfs/dbraw/zinc/54/21/79/653542179.db2.gz CVIFFPIHTQHBDR-SECBINFHSA-N 1 0 378.292 1.111 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)CCn2cnc3ccc(Br)cc3c2=O)C[NH2+]1 ZINC000638656439 653542224 /nfs/dbraw/zinc/54/22/24/653542224.db2.gz ZGDGJEQLIBNUIM-DGCLKSJQSA-N 1 0 393.285 1.806 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000638769845 653543062 /nfs/dbraw/zinc/54/30/62/653543062.db2.gz UNNKDHOSDGCQCG-CMPLNLGQSA-N 1 0 385.536 1.768 20 0 GDADRO [NH3+][C@H]1CCCCCN(C(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000638816830 653543998 /nfs/dbraw/zinc/54/39/98/653543998.db2.gz VPBWTWYUTCXBFQ-LBPRGKRZSA-N 1 0 379.262 1.768 20 0 GDADRO NS(=O)(=O)c1ccc(C[N@H+](CCO)C2CCOCC2)cc1Br ZINC000639083783 653545701 /nfs/dbraw/zinc/54/57/01/653545701.db2.gz JUIGIUNWTNABIA-UHFFFAOYSA-N 1 0 393.303 1.070 20 0 GDADRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cn1 ZINC000639081173 653545804 /nfs/dbraw/zinc/54/58/04/653545804.db2.gz WRSXATIMSNAGDR-GOEBONIOSA-N 1 0 384.889 1.731 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000639163964 653547448 /nfs/dbraw/zinc/54/74/48/653547448.db2.gz LSIAGQSWMPSEHZ-LBPRGKRZSA-N 1 0 387.468 1.090 20 0 GDADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@@H]1n1cccn1 ZINC000639235410 653548120 /nfs/dbraw/zinc/54/81/20/653548120.db2.gz ILVRNPVSBGTZSR-GUTXKFCHSA-N 1 0 384.527 1.879 20 0 GDADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCO1 ZINC000639245505 653548381 /nfs/dbraw/zinc/54/83/81/653548381.db2.gz LDZLTDVWVOAOCB-DOMZBBRYSA-N 1 0 384.889 1.731 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639508214 653551156 /nfs/dbraw/zinc/55/11/56/653551156.db2.gz SZEFJFDJNCCIJU-FZMZJTMJSA-N 1 0 397.324 1.734 20 0 GDADRO OC[C@@H]1CC[C@@H](CO)[NH+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000639783392 653554009 /nfs/dbraw/zinc/55/40/09/653554009.db2.gz TVAYBTJGCONLNK-IHRRRGAJSA-N 1 0 378.238 1.146 20 0 GDADRO COc1cc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ncc1Br ZINC000639963515 653555485 /nfs/dbraw/zinc/55/54/85/653555485.db2.gz CLTLJBFJDINDRI-NSHDSACASA-N 1 0 386.294 1.610 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(c2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641280069 653563779 /nfs/dbraw/zinc/56/37/79/653563779.db2.gz DFTGOTDRRHGYAS-UHFFFAOYSA-N 1 0 396.211 1.468 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000641438137 653567940 /nfs/dbraw/zinc/56/79/40/653567940.db2.gz AGTZMUJZFBDLAA-SNVBAGLBSA-N 1 0 380.923 1.155 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000642063535 653576697 /nfs/dbraw/zinc/57/66/97/653576697.db2.gz ABIFMQXTHOHJMG-XJKSGUPXSA-N 1 0 381.523 1.834 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1ccccc1Br ZINC000642091690 653576807 /nfs/dbraw/zinc/57/68/07/653576807.db2.gz QRGJGEFLFPSYPN-ZOWXZIJZSA-N 1 0 380.286 1.837 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642105607 653577076 /nfs/dbraw/zinc/57/70/76/653577076.db2.gz SAFJRXWJFQDVQP-INWMFGNUSA-N 1 0 394.313 1.707 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000642114938 653577136 /nfs/dbraw/zinc/57/71/36/653577136.db2.gz WADZYPLUKCQDBT-RISCZKNCSA-N 1 0 386.265 1.790 20 0 GDADRO CC[C@@H](NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1nc(C(F)(F)F)cs1 ZINC000642355295 653578262 /nfs/dbraw/zinc/57/82/62/653578262.db2.gz ZPLNBIWDYRINET-VHSXEESVSA-N 1 0 378.420 1.988 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000642356710 653578274 /nfs/dbraw/zinc/57/82/74/653578274.db2.gz RSVYODBADKFOAU-UHFFFAOYSA-N 1 0 375.803 1.897 20 0 GDADRO O=C(NCc1cc(Cl)cc(Br)c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642373588 653578327 /nfs/dbraw/zinc/57/83/27/653578327.db2.gz MGLNXOLAVBVWFT-CYBMUJFWSA-N 1 0 388.693 1.977 20 0 GDADRO O=C(NCc1cccc(Br)c1Cl)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642368956 653578378 /nfs/dbraw/zinc/57/83/78/653578378.db2.gz IUSZXMJCQMZEGE-NSHDSACASA-N 1 0 388.693 1.977 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000642682320 653579076 /nfs/dbraw/zinc/57/90/76/653579076.db2.gz ROORERVIRSUOLK-UKRRQHHQSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000642800824 653579476 /nfs/dbraw/zinc/57/94/76/653579476.db2.gz SPEOYFRQRWOJDW-VIFPVBQESA-N 1 0 377.794 1.970 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905029 653579699 /nfs/dbraw/zinc/57/96/99/653579699.db2.gz DZOIBZJCYHZCGM-LBPRGKRZSA-N 1 0 386.265 1.805 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642904889 653579712 /nfs/dbraw/zinc/57/97/12/653579712.db2.gz AZUIXDWHMFPRRK-OAHLLOKOSA-N 1 0 382.302 1.708 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000643474942 653583048 /nfs/dbraw/zinc/58/30/48/653583048.db2.gz QOQSIRWKEWLGBK-WFASDCNBSA-N 1 0 382.302 1.993 20 0 GDADRO C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000643538827 653583293 /nfs/dbraw/zinc/58/32/93/653583293.db2.gz XDZKSFISTLMITQ-LSJOCFKGSA-N 1 0 380.283 1.447 20 0 GDADRO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000643521859 653583351 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GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1Cl ZINC000644300267 653597448 /nfs/dbraw/zinc/59/74/48/653597448.db2.gz MPTJRYIXRVUPGA-HZMBPMFUSA-N 1 0 375.853 1.762 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644302919 653597461 /nfs/dbraw/zinc/59/74/61/653597461.db2.gz ZKLANKVZOPYIQV-BXUZGUMPSA-N 1 0 387.889 1.632 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)C3CN(C(=O)c4cccc(Cl)c4)C3)[C@@H]2C1 ZINC000644302284 653597484 /nfs/dbraw/zinc/59/74/84/653597484.db2.gz OQSKZXYAJYFTHN-CZUORRHYSA-N 1 0 383.901 1.130 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644302924 653597523 /nfs/dbraw/zinc/59/75/23/653597523.db2.gz ZKLANKVZOPYIQV-FZMZJTMJSA-N 1 0 387.889 1.632 20 0 GDADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000644526912 653599093 /nfs/dbraw/zinc/59/90/93/653599093.db2.gz OQRLLCHFSXBDCE-IIAWOOMASA-N 1 0 390.933 1.173 20 0 GDADRO O[C@H](C[NH2+]CCOC[C@@H]1CCOC1)COc1cc(F)cc(Br)c1 ZINC000644557810 653599291 /nfs/dbraw/zinc/59/92/91/653599291.db2.gz BBZGHGSRXOKEPC-IUODEOHRSA-N 1 0 392.265 1.971 20 0 GDADRO O=S(=O)(CC[NH2+]CCN1CCSCC1)c1cccc(Br)c1 ZINC000644561995 653599348 /nfs/dbraw/zinc/59/93/48/653599348.db2.gz NCULBCKXTXLJCW-UHFFFAOYSA-N 1 0 393.372 1.861 20 0 GDADRO CC[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C(=O)N1CCOCC1 ZINC000644586249 653599470 /nfs/dbraw/zinc/59/94/70/653599470.db2.gz YYHAJULAODYAFT-WFASDCNBSA-N 1 0 391.295 1.960 20 0 GDADRO CN(CC[NH2+]C[C@H](O)COc1ccccc1F)S(=O)(=O)c1cccs1 ZINC000644603886 653599534 /nfs/dbraw/zinc/59/95/34/653599534.db2.gz NXYUJAQHVZKMDN-ZDUSSCGKSA-N 1 0 388.486 1.537 20 0 GDADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)CCO2 ZINC000644616059 653599614 /nfs/dbraw/zinc/59/96/14/653599614.db2.gz HRLWQJIZSHWUCJ-VYDXJSESSA-N 1 0 389.901 1.406 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000644646175 653599911 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CO[C@H](CS(=O)(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000645474002 653603034 /nfs/dbraw/zinc/60/30/34/653603034.db2.gz HHCMHBWJKIVKKU-JFIYKMOQSA-N 1 0 376.563 1.715 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000645835228 653607259 /nfs/dbraw/zinc/60/72/59/653607259.db2.gz LMIMLYNEUBGXIY-NSHDSACASA-N 1 0 394.324 1.875 20 0 GDADRO COc1ccc(Br)c(CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000646118727 653608899 /nfs/dbraw/zinc/60/88/99/653608899.db2.gz AOAHXUKBCNCDGE-AWEZNQCLSA-N 1 0 382.302 1.506 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1=O ZINC000646297760 653609473 /nfs/dbraw/zinc/60/94/73/653609473.db2.gz CLYMEDKLIUAAPX-UHFFFAOYSA-N 1 0 399.289 1.476 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NCCCN1CC[NH2+]CC1 ZINC000646575828 653611152 /nfs/dbraw/zinc/61/11/52/653611152.db2.gz RQPGLFPACWUGSN-UHFFFAOYSA-N 1 0 380.290 1.361 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000646821710 653614446 /nfs/dbraw/zinc/61/44/46/653614446.db2.gz OIZUCSXNHWTVFU-JTQLQIEISA-N 1 0 387.267 1.510 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCO1 ZINC000646844811 653614849 /nfs/dbraw/zinc/61/48/49/653614849.db2.gz AYUUZXKTMGXDBS-NVBFEUDRSA-N 1 0 386.279 1.921 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCO1 ZINC000646853243 653615042 /nfs/dbraw/zinc/61/50/42/653615042.db2.gz BUNPJLYTCISXQG-NVBFEUDRSA-N 1 0 386.279 1.921 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)C(=O)Nc1ccc(Br)cn1)CCO2 ZINC000646888404 653615560 /nfs/dbraw/zinc/61/55/60/653615560.db2.gz CUNLXYFSEJFASM-UHFFFAOYSA-N 1 0 397.273 1.106 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000646912157 653616412 /nfs/dbraw/zinc/61/64/12/653616412.db2.gz OGZWGEQODJIQQM-XEZPLFJOSA-N 1 0 392.297 1.965 20 0 GDADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)CCn3cc(Br)cn3)CC2)C1 ZINC000647089684 653620419 /nfs/dbraw/zinc/62/04/19/653620419.db2.gz HGJGMSWGDRAXTI-CABCVRRESA-N 1 0 385.306 1.781 20 0 GDADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000647186135 653622887 /nfs/dbraw/zinc/62/28/87/653622887.db2.gz DCVKDHLXSLFSQF-HNNXBMFYSA-N 1 0 384.479 1.077 20 0 GDADRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000647227955 653623497 /nfs/dbraw/zinc/62/34/97/653623497.db2.gz AAXFBMNKRIKPRX-UHFFFAOYSA-N 1 0 379.404 1.351 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000647233600 653623668 /nfs/dbraw/zinc/62/36/68/653623668.db2.gz AOLFOMZFVWSWOA-BXKDBHETSA-N 1 0 379.276 1.194 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647234860 653624099 /nfs/dbraw/zinc/62/40/99/653624099.db2.gz CGSPDGAYMGVZOW-XPTSAGLGSA-N 1 0 391.877 1.044 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647237833 653624282 /nfs/dbraw/zinc/62/42/82/653624282.db2.gz YKYWXANUAZBMNQ-PBHICJAKSA-N 1 0 386.539 1.633 20 0 GDADRO CC1([NH3+])CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 ZINC000647254053 653624361 /nfs/dbraw/zinc/62/43/61/653624361.db2.gz LJFKKBIGUJEAAX-UHFFFAOYSA-N 1 0 379.404 1.481 20 0 GDADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647308310 653625824 /nfs/dbraw/zinc/62/58/24/653625824.db2.gz NSFVHGGEMNLRNQ-STQMWFEESA-N 1 0 385.917 1.839 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647306798 653625889 /nfs/dbraw/zinc/62/58/89/653625889.db2.gz JIWCEQKRSVKWAU-LSDHHAIUSA-N 1 0 385.555 1.785 20 0 GDADRO Cn1cc(C[C@H](CO)C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)cn1 ZINC000647535504 653628481 /nfs/dbraw/zinc/62/84/81/653628481.db2.gz XPBJUHHKXHIRLB-KBPBESRZSA-N 1 0 388.295 1.907 20 0 GDADRO CN(CCN1CC[NH2+]CC1)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000647834975 653635663 /nfs/dbraw/zinc/63/56/63/653635663.db2.gz HSJFMFISWAERNF-UHFFFAOYSA-N 1 0 380.341 1.604 20 0 GDADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000647832565 653635727 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GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2C1 ZINC000656994409 654090629 /nfs/dbraw/zinc/09/06/29/654090629.db2.gz GQZVJVZXRPPOTK-QGZVFWFLSA-N 1 0 383.539 1.369 20 0 GDADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000656995036 654091017 /nfs/dbraw/zinc/09/10/17/654091017.db2.gz XYBHVQZLVRVCFV-QZTJIDSGSA-N 1 0 376.563 1.956 20 0 GDADRO COC1CCN(S(=O)(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)CC1 ZINC000656998428 654092568 /nfs/dbraw/zinc/09/25/68/654092568.db2.gz RKCLROOVZOUEAQ-QGZVFWFLSA-N 1 0 387.571 1.956 20 0 GDADRO COC1CCN(S(=O)(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)CC1 ZINC000656998427 654092746 /nfs/dbraw/zinc/09/27/46/654092746.db2.gz RKCLROOVZOUEAQ-KRWDZBQOSA-N 1 0 387.571 1.956 20 0 GDADRO CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1)[C@@H]1CCOC1 ZINC000657012439 654096912 /nfs/dbraw/zinc/09/69/12/654096912.db2.gz VABMWQUUGIIABM-CVEARBPZSA-N 1 0 376.544 1.493 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000657108222 654116719 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O=S(=O)(Cc1cc(F)ccc1Br)NC[C@@H]1C[NH2+]CCCO1 ZINC000658381423 654187612 /nfs/dbraw/zinc/18/76/12/654187612.db2.gz MZNBEFUFNSRFIH-LBPRGKRZSA-N 1 0 381.267 1.386 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000658387079 654188520 /nfs/dbraw/zinc/18/85/20/654188520.db2.gz IDGZSZOASWWGEB-OAHLLOKOSA-N 1 0 386.539 1.490 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000658389147 654188991 /nfs/dbraw/zinc/18/89/91/654188991.db2.gz ICGNLNSBDCZOSC-UHFFFAOYSA-N 1 0 395.319 1.832 20 0 GDADRO CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000659275683 654220283 /nfs/dbraw/zinc/22/02/83/654220283.db2.gz JVIIHMLIHWLWDV-AWEZNQCLSA-N 1 0 389.905 1.815 20 0 GDADRO COc1ccc(Br)cc1C1(NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000659326527 654222667 /nfs/dbraw/zinc/22/26/67/654222667.db2.gz VDDRETZSKJUSOC-UHFFFAOYSA-N 1 0 380.246 1.427 20 0 GDADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659358509 654224159 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C[C@@H]1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000662896352 654317130 /nfs/dbraw/zinc/31/71/30/654317130.db2.gz JMTAHNWHJLGQBK-YPMHNXCESA-N 1 0 389.315 1.809 20 0 GDADRO C[C@@]1(NC(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC[NH2+]C1 ZINC000663013071 654318637 /nfs/dbraw/zinc/31/86/37/654318637.db2.gz ISXQXUCIBMCURX-OAHLLOKOSA-N 1 0 389.315 1.871 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1Br ZINC000663313022 654333422 /nfs/dbraw/zinc/33/34/22/654333422.db2.gz PJXRJKZLPOMANC-ZDUSSCGKSA-N 1 0 376.276 1.438 20 0 GDADRO COc1cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c(OC)cc1Br ZINC000663313145 654333498 /nfs/dbraw/zinc/33/34/98/654333498.db2.gz SAZJHTQDWDOVKR-CYBMUJFWSA-N 1 0 379.276 1.497 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CCO1 ZINC000663603378 654344951 /nfs/dbraw/zinc/34/49/51/654344951.db2.gz IBSOKBUFXDXFAL-VIFPVBQESA-N 1 0 381.738 1.363 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1cc(Br)cs1 ZINC000663705219 654349203 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CN(C)C(=O)CN(CC[NH+](C)C)c1ncnc2ccc(Br)cc21 ZINC000664355148 654376101 /nfs/dbraw/zinc/37/61/01/654376101.db2.gz NBPHTUKMJSCPNK-UHFFFAOYSA-N 1 0 380.290 1.849 20 0 GDADRO CC(=O)N[C@@H](CC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000664723000 654389322 /nfs/dbraw/zinc/38/93/22/654389322.db2.gz BABRMZBRTXPUAA-HNNXBMFYSA-N 1 0 396.285 1.217 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C[C@@H]1O ZINC000664772579 654391724 /nfs/dbraw/zinc/39/17/24/654391724.db2.gz QQZFVIMOGSVRST-BPUTZDHNSA-N 1 0 397.317 1.344 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000665489601 654408714 /nfs/dbraw/zinc/40/87/14/654408714.db2.gz YNMWXFUSAJHECR-UHFFFAOYSA-N 1 0 396.289 1.398 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000666265660 654421510 /nfs/dbraw/zinc/42/15/10/654421510.db2.gz GKYRCJVFIXOGJQ-UHFFFAOYSA-N 1 0 399.314 1.838 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1=O ZINC000666287626 654422389 /nfs/dbraw/zinc/42/23/89/654422389.db2.gz IPRRHZSYTQUZTM-ZDUSSCGKSA-N 1 0 399.289 1.211 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCO1 ZINC000667404115 654448914 /nfs/dbraw/zinc/44/89/14/654448914.db2.gz AXBQIYUXSUROKC-QPUJVOFHSA-N 1 0 379.766 1.872 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000667404568 654449405 /nfs/dbraw/zinc/44/94/05/654449405.db2.gz RCKWMFCJBQSLCF-TVQRCGJNSA-N 1 0 388.237 1.410 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)NC[C@H](C)[NH3+])c1C ZINC000667557672 654455385 /nfs/dbraw/zinc/45/53/85/654455385.db2.gz CMSSVEKMTZFYIH-VIFPVBQESA-N 1 0 394.273 1.654 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000667558098 654455450 /nfs/dbraw/zinc/45/54/50/654455450.db2.gz VBGOVKAAHAFTSW-ZCFIWIBFSA-N 1 0 384.152 1.750 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)NC[C@@H](C)[NH3+])c1C ZINC000667557671 654455458 /nfs/dbraw/zinc/45/54/58/654455458.db2.gz CMSSVEKMTZFYIH-SECBINFHSA-N 1 0 394.273 1.654 20 0 GDADRO O=C(NCC[NH2+]C1CC1)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000667554621 654455543 /nfs/dbraw/zinc/45/55/43/654455543.db2.gz JWHFFEKVMMTLDY-UHFFFAOYSA-N 1 0 384.278 1.554 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000667580504 654457025 /nfs/dbraw/zinc/45/70/25/654457025.db2.gz KKAOKQWFDLCMPQ-MRXNPFEDSA-N 1 0 381.274 1.693 20 0 GDADRO C[NH+](C)CCOc1cccc(CNC(=O)c2sccc2S(N)(=O)=O)c1 ZINC000668076968 654472980 /nfs/dbraw/zinc/47/29/80/654472980.db2.gz ARLFDNFLQVQAIJ-UHFFFAOYSA-N 1 0 383.495 1.266 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc2c(c(Br)c1)OCO2 ZINC000668559599 654485082 /nfs/dbraw/zinc/48/50/82/654485082.db2.gz KSSBTHQGEBBWBD-UHFFFAOYSA-N 1 0 386.290 1.630 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cn(C)c(Cl)n2)[C@@H](C)C1 ZINC000769900278 654491150 /nfs/dbraw/zinc/49/11/50/654491150.db2.gz OZCWQFZHVUTOMK-STQMWFEESA-N 1 0 378.926 1.489 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769958724 654494216 /nfs/dbraw/zinc/49/42/16/654494216.db2.gz DVVISGWXIYENMJ-UHFFFAOYSA-N 1 0 382.262 1.332 20 0 GDADRO CN1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)[C@@H](C[NH3+])C1 ZINC000669406754 654504165 /nfs/dbraw/zinc/50/41/65/654504165.db2.gz GRCZHRLOHVFBLN-JSGCOSHPSA-N 1 0 383.290 1.557 20 0 GDADRO CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)[C@H](C[NH3+])C1 ZINC000669553826 654505603 /nfs/dbraw/zinc/50/56/03/654505603.db2.gz CYHWGYPRBIQDQV-TZMCWYRMSA-N 1 0 386.327 1.856 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)NCC[NH2+]C2CC2)cc1C(F)(F)F ZINC000669571767 654505989 /nfs/dbraw/zinc/50/59/89/654505989.db2.gz PVKOIMAKKIFUPZ-UHFFFAOYSA-N 1 0 379.404 1.660 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000671350682 654534018 /nfs/dbraw/zinc/53/40/18/654534018.db2.gz ZFDUARBVVYKNHH-IUODEOHRSA-N 1 0 382.302 1.707 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000671913949 654546813 /nfs/dbraw/zinc/54/68/13/654546813.db2.gz RCYGVROMXVNOFL-CYBMUJFWSA-N 1 0 384.274 1.284 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000672006581 654548841 /nfs/dbraw/zinc/54/88/41/654548841.db2.gz HSIWZQXDVLRVOI-NSHDSACASA-N 1 0 398.301 1.673 20 0 GDADRO CN(CC[NH2+]Cc1ccc(OCC(N)=O)cc1)S(=O)(=O)c1cccs1 ZINC000771976814 654553051 /nfs/dbraw/zinc/55/30/51/654553051.db2.gz CSFCXZODWDVLAC-UHFFFAOYSA-N 1 0 383.495 1.023 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000772880071 654573826 /nfs/dbraw/zinc/57/38/26/654573826.db2.gz TZCNCDOPGQHPOF-CHWSQXEVSA-N 1 0 383.457 1.273 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000673531011 654576875 /nfs/dbraw/zinc/57/68/75/654576875.db2.gz OKYJGPXHBWSXGW-HNNXBMFYSA-N 1 0 393.285 1.821 20 0 GDADRO C[C@@H](Oc1ccccc1Br)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000673542172 654577210 /nfs/dbraw/zinc/57/72/10/654577210.db2.gz IVYHJPMIORBLKC-NWDGAFQWSA-N 1 0 386.290 1.399 20 0 GDADRO CCNS(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000772974888 654577521 /nfs/dbraw/zinc/57/75/21/654577521.db2.gz BKPKLWCLIMOXIS-LLVKDONJSA-N 1 0 377.894 1.595 20 0 GDADRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773012832 654578125 /nfs/dbraw/zinc/57/81/25/654578125.db2.gz DBKOQZJFPIAZEB-NSHDSACASA-N 1 0 386.499 1.295 20 0 GDADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000773071126 654580313 /nfs/dbraw/zinc/58/03/13/654580313.db2.gz ZZQXQWCMHDADBZ-DOMZBBRYSA-N 1 0 389.543 1.850 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCCc2cccc(Br)c2)CC1=O ZINC000673665854 654580695 /nfs/dbraw/zinc/58/06/95/654580695.db2.gz XXQLHMMACQFORV-HNNXBMFYSA-N 1 0 396.329 1.908 20 0 GDADRO CS[C@@H](C)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773097111 654581248 /nfs/dbraw/zinc/58/12/48/654581248.db2.gz ZBAZBWDEAPQGOA-NWDGAFQWSA-N 1 0 380.557 1.814 20 0 GDADRO CS[C@@H](C)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773097112 654581269 /nfs/dbraw/zinc/58/12/69/654581269.db2.gz ZBAZBWDEAPQGOA-RYUDHWBXSA-N 1 0 380.557 1.814 20 0 GDADRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773118203 654582061 /nfs/dbraw/zinc/58/20/61/654582061.db2.gz YRKGUKKCDGMANW-UONOGXRCSA-N 1 0 392.543 1.471 20 0 GDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000674320226 654597198 /nfs/dbraw/zinc/59/71/98/654597198.db2.gz GCYIPOSDAWNMLS-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO O=c1cc(C[NH+]2CCC(OCCCO)CC2)nc2ccc(Br)cn12 ZINC000674914359 654606513 /nfs/dbraw/zinc/60/65/13/654606513.db2.gz HFQLJUAVUTXXTL-UHFFFAOYSA-N 1 0 396.285 1.820 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc(Br)cc1C ZINC000774217685 654617040 /nfs/dbraw/zinc/61/70/40/654617040.db2.gz MZNDAPZEFVPLAJ-UHFFFAOYSA-N 1 0 387.278 1.128 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000774249968 654619115 /nfs/dbraw/zinc/61/91/15/654619115.db2.gz GMFCZZDWHCQPCX-NWDGAFQWSA-N 1 0 397.273 1.070 20 0 GDADRO COc1ccc(NC(=O)CC[N@H+](C)CCN2CCCS2(=O)=O)cc1Cl ZINC000675966824 654629881 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1.056 20 0 GDADRO C[C@H]1CN(C(=O)CCn2cc(Br)cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000677875789 654677427 /nfs/dbraw/zinc/67/74/27/654677427.db2.gz FJLKRXWKHXGUCJ-HOCLYGCPSA-N 1 0 398.349 1.520 20 0 GDADRO Cc1cnc(Br)cc1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000776057776 654681173 /nfs/dbraw/zinc/68/11/73/654681173.db2.gz SPXNELFXPWOHMR-LBPRGKRZSA-N 1 0 398.305 1.861 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000678748708 654694838 /nfs/dbraw/zinc/69/48/38/654694838.db2.gz DVMGDCVFTHEYLQ-QMMMGPOBSA-N 1 0 376.201 1.876 20 0 GDADRO CC(C)(O)C[NH+]1CCN(Cn2nnn(-c3ccc(Cl)cc3)c2=S)CC1 ZINC000742151362 654695465 /nfs/dbraw/zinc/69/54/65/654695465.db2.gz SRPYLPQGDKVZNX-UHFFFAOYSA-N 1 0 382.921 1.798 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000742298876 654701053 /nfs/dbraw/zinc/70/10/53/654701053.db2.gz GVINHGXKQHRZOL-HNNXBMFYSA-N 1 0 377.551 1.893 20 0 GDADRO CC(C)(CO)[NH+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000679317686 654701356 /nfs/dbraw/zinc/70/13/56/654701356.db2.gz WGBBSTZANJGLHU-UHFFFAOYSA-N 1 0 388.295 1.638 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000742302438 654701504 /nfs/dbraw/zinc/70/15/04/654701504.db2.gz ZBJIRALPRHPSNM-HUUCEWRRSA-N 1 0 375.535 1.742 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ncc(Br)cc1S(N)(=O)=O ZINC000679470997 654703049 /nfs/dbraw/zinc/70/30/49/654703049.db2.gz XSDWTGDCKIYESL-SNVBAGLBSA-N 1 0 377.308 1.270 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)c1ncc(Br)cc1S(N)(=O)=O ZINC000679470993 654703079 /nfs/dbraw/zinc/70/30/79/654703079.db2.gz XSDWTGDCKIYESL-JTQLQIEISA-N 1 0 377.308 1.270 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NCCSCc2ccnc(Cl)c2)CC1=O ZINC000777449804 654719659 /nfs/dbraw/zinc/71/96/59/654719659.db2.gz PZIAQMIDAMHPFZ-CQSZACIVSA-N 1 0 384.933 1.495 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1nc(C(F)(F)F)cs1 ZINC000681052097 654722458 /nfs/dbraw/zinc/72/24/58/654722458.db2.gz GOVBUVYCVPILMW-SNVBAGLBSA-N 1 0 386.465 1.390 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000681157642 654723613 /nfs/dbraw/zinc/72/36/13/654723613.db2.gz LZZJSWPUUUSTRW-ZDUSSCGKSA-N 1 0 375.922 1.653 20 0 GDADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)C1 ZINC000744798971 654736653 /nfs/dbraw/zinc/73/66/53/654736653.db2.gz IJBBARALUMRGAS-QMMMGPOBSA-N 1 0 396.332 1.230 20 0 GDADRO CC1(C)CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1CCO ZINC000682008646 654745433 /nfs/dbraw/zinc/74/54/33/654745433.db2.gz IBEZEYJZQONPMK-UHFFFAOYSA-N 1 0 388.295 1.638 20 0 GDADRO CC1(C)CN(C[C@@H](O)COc2ccc(Br)cc2)CC[N@@H+]1CCO ZINC000682035200 654746205 /nfs/dbraw/zinc/74/62/05/654746205.db2.gz STEMLMCHQCLYCC-OAHLLOKOSA-N 1 0 387.318 1.577 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1=O ZINC000682050337 654746530 /nfs/dbraw/zinc/74/65/30/654746530.db2.gz UQUYAVWVLOYAJC-UHFFFAOYSA-N 1 0 387.278 1.068 20 0 GDADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000682221479 654750002 /nfs/dbraw/zinc/75/00/02/654750002.db2.gz SIMRORJIAMCPSM-ZIAGYGMSSA-N 1 0 385.237 1.866 20 0 GDADRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000779066056 654754172 /nfs/dbraw/zinc/75/41/72/654754172.db2.gz ULNPJWZKMJPJBK-NILFDRSVSA-N 1 0 390.527 1.222 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCC2CS(=O)(=O)C2)[C@H]1c1cccs1 ZINC000682460414 654754242 /nfs/dbraw/zinc/75/42/42/654754242.db2.gz NWRNQRSLVDZMFE-ZBFHGGJFSA-N 1 0 385.555 1.865 20 0 GDADRO C[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779079882 654754357 /nfs/dbraw/zinc/75/43/57/654754357.db2.gz QLGNCIHHHYMIRK-HIFRSBDPSA-N 1 0 375.535 1.503 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCC1CS(=O)(=O)C1 ZINC000682484936 654755156 /nfs/dbraw/zinc/75/51/56/654755156.db2.gz STABYSZDOPUVTL-UHFFFAOYSA-N 1 0 387.933 1.848 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CCO[C@@H](c3ccccc3Br)C2)CC1 ZINC000746195408 654755442 /nfs/dbraw/zinc/75/54/42/654755442.db2.gz DKIDFLATPYOHOC-QGZVFWFLSA-N 1 0 396.329 1.987 20 0 GDADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000682668823 654759923 /nfs/dbraw/zinc/75/99/23/654759923.db2.gz ULESTZZPNCXUMV-UHFFFAOYSA-N 1 0 389.905 1.482 20 0 GDADRO O[C@@H](CN1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000779604570 654764636 /nfs/dbraw/zinc/76/46/36/654764636.db2.gz BTAMIRGRCOSPRC-KRWDZBQOSA-N 1 0 399.329 1.642 20 0 GDADRO CC[C@@]1([NH2+]CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000683040600 654766859 /nfs/dbraw/zinc/76/68/59/654766859.db2.gz COEYUOLWQJMODC-RHSMWYFYSA-N 1 0 386.539 1.423 20 0 GDADRO CC[C@@]1([NH2+]CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CCOC1 ZINC000683041472 654766929 /nfs/dbraw/zinc/76/69/29/654766929.db2.gz LISVTGZBIXRKOG-MRXNPFEDSA-N 1 0 389.905 1.688 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 ZINC000683204389 654770900 /nfs/dbraw/zinc/77/09/00/654770900.db2.gz MPYNWKVTXXMAMI-ZBFHGGJFSA-N 1 0 384.318 1.994 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)C1 ZINC000683204286 654770959 /nfs/dbraw/zinc/77/09/59/654770959.db2.gz GYQCVLJLNDOJSG-UKRRQHHQSA-N 1 0 384.318 1.994 20 0 GDADRO CC(C)(CO)[NH+]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000683367167 654774225 /nfs/dbraw/zinc/77/42/25/654774225.db2.gz PSLMMMWGLKDHIJ-MRXNPFEDSA-N 1 0 396.329 1.943 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ncc(Br)s2)CC1 ZINC000683406577 654775303 /nfs/dbraw/zinc/77/53/03/654775303.db2.gz DGTPUQPZBMXXHK-JTQLQIEISA-N 1 0 387.303 1.460 20 0 GDADRO CC(C)C[C@H](NC(=O)c1ncc(Br)s1)C(=O)NCC[NH+](C)C ZINC000683416068 654776159 /nfs/dbraw/zinc/77/61/59/654776159.db2.gz XNXPFUOOCQUGHR-JTQLQIEISA-N 1 0 391.335 1.728 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000683863184 654786304 /nfs/dbraw/zinc/78/63/04/654786304.db2.gz MAUZKFOTSVUSBY-JTQLQIEISA-N 1 0 381.889 1.951 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000780718172 654791725 /nfs/dbraw/zinc/79/17/25/654791725.db2.gz ZXTVXYBRHPJJBA-LLVKDONJSA-N 1 0 375.878 1.674 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc(S(=O)(=O)N3CCCC3)s1)C2 ZINC000684171823 654793561 /nfs/dbraw/zinc/79/35/61/654793561.db2.gz RRKALIYGXXYDCD-UHFFFAOYSA-N 1 0 383.539 1.239 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000684586137 654800737 /nfs/dbraw/zinc/80/07/37/654800737.db2.gz GBJXWQJIFHWFRR-CYBMUJFWSA-N 1 0 380.461 1.454 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000684660225 654804070 /nfs/dbraw/zinc/80/40/70/654804070.db2.gz SDPQFZZSSGBACG-CQSZACIVSA-N 1 0 384.889 1.119 20 0 GDADRO O=C(NCC12CCC[NH+]1CCC2)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000684846840 654806663 /nfs/dbraw/zinc/80/66/63/654806663.db2.gz GBWFITFHBXDEHG-CQSZACIVSA-N 1 0 383.539 1.646 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748696529 654810247 /nfs/dbraw/zinc/81/02/47/654810247.db2.gz ZPJMOOCTRUMGSI-ZDUSSCGKSA-N 1 0 385.917 1.949 20 0 GDADRO CSCC[C@@H]1NC(=S)N(Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1=O ZINC000781550113 654810396 /nfs/dbraw/zinc/81/03/96/654810396.db2.gz LPQJJTGCVNUZBN-CVEARBPZSA-N 1 0 379.551 1.592 20 0 GDADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000685510212 654819683 /nfs/dbraw/zinc/81/96/83/654819683.db2.gz IPYQBJXVHWCEFQ-UHFFFAOYSA-N 1 0 383.392 1.121 20 0 GDADRO COc1ccc(C(=O)NCCCC[NH+]2CCN(C)CC2)nc1Br ZINC000781939365 654820953 /nfs/dbraw/zinc/82/09/53/654820953.db2.gz DVFIGAJTBKERGC-UHFFFAOYSA-N 1 0 385.306 1.610 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000685595891 654822047 /nfs/dbraw/zinc/82/20/47/654822047.db2.gz CMNNDOSSSSISPB-LBPRGKRZSA-N 1 0 375.441 1.331 20 0 GDADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749388954 654831900 /nfs/dbraw/zinc/83/19/00/654831900.db2.gz CNSZCBBDBKEQEC-CYBMUJFWSA-N 1 0 381.278 1.741 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000700271438 654831907 /nfs/dbraw/zinc/83/19/07/654831907.db2.gz BOWBUFOPRLTBHF-BYNSBNAKSA-N 1 0 376.519 1.566 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749385965 654831919 /nfs/dbraw/zinc/83/19/19/654831919.db2.gz OOZXSTHHBUVFTD-ZDUSSCGKSA-N 1 0 391.273 1.639 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC[N@@H+]1C ZINC000749398404 654832844 /nfs/dbraw/zinc/83/28/44/654832844.db2.gz BRZUZXYKOLBGNN-DGCLKSJQSA-N 1 0 393.289 1.980 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C[C@@H]1[NH+]1CCCC1 ZINC000782485192 654833330 /nfs/dbraw/zinc/83/33/30/654833330.db2.gz YRZYUPPCFUOMAR-JKSUJKDBSA-N 1 0 382.507 1.557 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000724028482 654840658 /nfs/dbraw/zinc/84/06/58/654840658.db2.gz MPEXEWBTEZTEPX-ILXRZTDVSA-N 1 0 375.535 1.551 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000782678973 654841921 /nfs/dbraw/zinc/84/19/21/654841921.db2.gz MZVMSNXHPHUKKP-UHFFFAOYSA-N 1 0 386.246 1.179 20 0 GDADRO CC[NH+](CC)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000725904457 654844272 /nfs/dbraw/zinc/84/42/72/654844272.db2.gz ZGDNYHLPTVKQMC-UHFFFAOYSA-N 1 0 391.921 1.984 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cn2c(=O)scc2C(F)(F)F)CC1 ZINC000749956933 654845034 /nfs/dbraw/zinc/84/50/34/654845034.db2.gz WEDJXZLQPGLXSB-CYBMUJFWSA-N 1 0 378.464 1.988 20 0 GDADRO NS(=O)(=O)c1ccc(N2CC[NH+](CCCCO)CC2)cc1C(F)(F)F ZINC000750180471 654849760 /nfs/dbraw/zinc/84/97/60/654849760.db2.gz OMRPABGNOZQLSU-UHFFFAOYSA-N 1 0 381.420 1.247 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727071757 654864157 /nfs/dbraw/zinc/86/41/57/654864157.db2.gz ZIZVCPBJQIQJGA-UHFFFAOYSA-N 1 0 386.587 1.325 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000783919010 654873731 /nfs/dbraw/zinc/87/37/31/654873731.db2.gz WNBQFKHSBIBBAJ-GFCCVEGCSA-N 1 0 375.441 1.234 20 0 GDADRO O=C(COC(=O)c1ccc(Br)cn1)NC1CC[NH+](C2CC2)CC1 ZINC000727552899 654875165 /nfs/dbraw/zinc/87/51/65/654875165.db2.gz NMIVOSMLSWSLMO-UHFFFAOYSA-N 1 0 382.258 1.744 20 0 GDADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=S)NCCNS(C)(=O)=O)c2C1 ZINC000727704575 654877360 /nfs/dbraw/zinc/87/73/60/654877360.db2.gz HKJWJRLYXUWBEI-CYBMUJFWSA-N 1 0 384.571 1.882 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)/C=C\c2ccccc2Cl)C1 ZINC000728060389 654883893 /nfs/dbraw/zinc/88/38/93/654883893.db2.gz PLTKLAGNQQRWNJ-LDCOFTPGSA-N 1 0 385.917 1.818 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1c(Cl)nc2sccn21 ZINC000751355364 654884866 /nfs/dbraw/zinc/88/48/66/654884866.db2.gz DEYBIBSCNQSZKC-LLVKDONJSA-N 1 0 392.934 1.564 20 0 GDADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1Cl ZINC000800541644 654887473 /nfs/dbraw/zinc/88/74/73/654887473.db2.gz PELHXGWBLWPWMM-PSASIEDQSA-N 1 0 388.843 1.900 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)C1 ZINC000800542000 654887478 /nfs/dbraw/zinc/88/74/78/654887478.db2.gz YIYDHFSIHJFMNV-KKUMJFAQSA-N 1 0 375.535 1.693 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000784473430 654889106 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C[NH2+]CCNC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br ZINC000832573397 655037956 /nfs/dbraw/zinc/03/79/56/655037956.db2.gz PSDNXXDIUYGPKY-UHFFFAOYSA-N 1 0 392.319 1.333 20 0 GDADRO C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000832625027 655042010 /nfs/dbraw/zinc/04/20/10/655042010.db2.gz OIQOXWJQSLLRIJ-UHFFFAOYSA-N 1 0 379.448 1.835 20 0 GDADRO CC[S@](=O)CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000805619882 655042474 /nfs/dbraw/zinc/04/24/74/655042474.db2.gz KHQAMAWAPWIHNZ-RZAQHMAJSA-N 1 0 385.555 1.132 20 0 GDADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(c2cccs2)CC1 ZINC000757850015 655045155 /nfs/dbraw/zinc/04/51/55/655045155.db2.gz ARJWWDMWXCCBQS-FOWTUZBSSA-N 1 0 381.523 1.850 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccnc1I ZINC000757930343 655046389 /nfs/dbraw/zinc/04/63/89/655046389.db2.gz NRWTZSXLJYFPGV-MNOVXSKESA-N 1 0 387.221 1.279 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000790497127 655051071 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1.603 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)NCc2ccc(Br)cc2F)CCC1 ZINC000807027338 655077060 /nfs/dbraw/zinc/07/70/60/655077060.db2.gz AXHSZZAEDQTAIA-UHFFFAOYSA-N 1 0 386.265 1.805 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CC=CCC2)ccc1Br ZINC000834804817 655079315 /nfs/dbraw/zinc/07/93/15/655079315.db2.gz VFSQZRDMYCHLMA-UHFFFAOYSA-N 1 0 388.287 1.088 20 0 GDADRO CN(C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C1CC([NH3+])C1 ZINC000834835807 655080534 /nfs/dbraw/zinc/08/05/34/655080534.db2.gz YSLONUWBSGOTBC-UHFFFAOYSA-N 1 0 386.905 1.084 20 0 GDADRO O=C(c1cccn2c(I)cnc12)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000834867534 655081726 /nfs/dbraw/zinc/08/17/26/655081726.db2.gz NLBIKIFTSCMYMK-KOLCDFICSA-N 1 0 382.205 1.373 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000834879123 655082063 /nfs/dbraw/zinc/08/20/63/655082063.db2.gz QVJVOOBVFGJTSG-UKRRQHHQSA-N 1 0 377.551 1.939 20 0 GDADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000759379749 655083214 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655300111 /nfs/dbraw/zinc/30/01/11/655300111.db2.gz FWUUOXKVJUYUBT-UONOGXRCSA-N 1 0 376.519 1.568 20 0 GDADRO CC(C)(C)[S@](=O)CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000840896882 655301944 /nfs/dbraw/zinc/30/19/44/655301944.db2.gz JBAFCPBFHGTXKW-HXUWFJFHSA-N 1 0 397.360 1.733 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC=C(Br)C1 ZINC000799821584 655302784 /nfs/dbraw/zinc/30/27/84/655302784.db2.gz HKPYHRDMKGIREE-UHFFFAOYSA-N 1 0 391.335 1.735 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cnc(Cl)c(OC)c2)CC1 ZINC000767800123 655305299 /nfs/dbraw/zinc/30/52/99/655305299.db2.gz YLGARACASVTXMD-CYBMUJFWSA-N 1 0 390.937 1.296 20 0 GDADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841076675 655308354 /nfs/dbraw/zinc/30/83/54/655308354.db2.gz LRLIEFPOUDQUQD-PMPSAXMXSA-N 1 0 377.535 1.767 20 0 GDADRO [NH3+]CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000841076120 655308395 /nfs/dbraw/zinc/30/83/95/655308395.db2.gz APTMWBGYIKIWFR-ILXRZTDVSA-N 1 0 381.523 1.458 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3nc4ccccn4c3Br)C2)nn1 ZINC000841100440 655308758 /nfs/dbraw/zinc/30/87/58/655308758.db2.gz YLXCKQDPXHKQTP-CYBMUJFWSA-N 1 0 390.289 1.984 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841142875 655310102 /nfs/dbraw/zinc/31/01/02/655310102.db2.gz GZUZAQCAXHVCEM-VIFPVBQESA-N 1 0 384.230 1.109 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841157979 655310980 /nfs/dbraw/zinc/31/09/80/655310980.db2.gz MXOHKKXHWGRAFJ-JTQLQIEISA-N 1 0 398.257 1.356 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cnc(Cl)c1Br ZINC000841161922 655311387 /nfs/dbraw/zinc/31/13/87/655311387.db2.gz QGNXIEGSIIKDNM-MRVPVSSYSA-N 1 0 375.654 1.552 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)C1 ZINC000841162362 655311409 /nfs/dbraw/zinc/31/14/09/655311409.db2.gz VMMYSNKYEKIBQV-ZETCQYMHSA-N 1 0 381.152 1.361 20 0 GDADRO CSc1nc2ccc(NC(=O)C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)cc2s1 ZINC000841194030 655313206 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398.301 1.150 20 0 GDADRO CN(C[C@H](O)c1ccccc1Br)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000817990125 655363635 /nfs/dbraw/zinc/36/36/35/655363635.db2.gz XHTSWQPIGLUYPT-WFASDCNBSA-N 1 0 398.301 1.138 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)C(F)(F)F ZINC000817994826 655364047 /nfs/dbraw/zinc/36/40/47/655364047.db2.gz LKHGQGMQGXYWLO-RUNBWSAHSA-N 1 0 379.404 1.363 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C[C@H]1C[NH3+] ZINC000818009556 655364417 /nfs/dbraw/zinc/36/44/17/655364417.db2.gz VPIRDYDYNGXXLT-GHMZBOCLSA-N 1 0 389.315 1.910 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)NS(=O)(=O)c1cccnc1Cl ZINC000818009425 655364448 /nfs/dbraw/zinc/36/44/48/655364448.db2.gz RLYWFJASPJLTFG-JHJVBQTASA-N 1 0 388.921 1.235 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C[C@@H]1C[NH3+] ZINC000818008878 655364471 /nfs/dbraw/zinc/36/44/71/655364471.db2.gz KPRPJWBZFXFDEX-OLZOCXBDSA-N 1 0 385.917 1.937 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)c2cn(-c3ccccc3Br)nn2)CCCO1 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C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)C1 ZINC000842710933 655372792 /nfs/dbraw/zinc/37/27/92/655372792.db2.gz UBTNHJOFNNJOBI-VIFPVBQESA-N 1 0 381.267 1.827 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000842720270 655373388 /nfs/dbraw/zinc/37/33/88/655373388.db2.gz UOHOUPVDIBAEET-GZMMTYOYSA-N 1 0 381.267 1.955 20 0 GDADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842744446 655374827 /nfs/dbraw/zinc/37/48/27/655374827.db2.gz VPBDPWHKGZIOCO-SNVBAGLBSA-N 1 0 388.433 1.776 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000842750082 655375246 /nfs/dbraw/zinc/37/52/46/655375246.db2.gz BHRBGWUURPTDDP-RYUDHWBXSA-N 1 0 387.889 1.674 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NCC2([NH3+])CCC2)s1 ZINC000842761014 655375493 /nfs/dbraw/zinc/37/54/93/655375493.db2.gz QAUDQNDEQNLXLZ-UHFFFAOYSA-N 1 0 383.289 1.457 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000842762193 655375641 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GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](C)C[NH3+])c1 ZINC000842787854 655377015 /nfs/dbraw/zinc/37/70/15/655377015.db2.gz UIGCWWRDCMRVIV-LLVKDONJSA-N 1 0 397.950 1.244 20 0 GDADRO CN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)C1(C[NH3+])CCC1 ZINC000818596741 655377094 /nfs/dbraw/zinc/37/70/94/655377094.db2.gz MGROJGKXXSJITL-UHFFFAOYSA-N 1 0 375.288 1.806 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000842790000 655377147 /nfs/dbraw/zinc/37/71/47/655377147.db2.gz BAEVAEQTMDMXJO-JGVFFNPUSA-N 1 0 397.316 1.655 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000818603643 655377329 /nfs/dbraw/zinc/37/73/29/655377329.db2.gz HMAKYTSGNVKUKE-RYUDHWBXSA-N 1 0 375.441 1.284 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000842793117 655377579 /nfs/dbraw/zinc/37/75/79/655377579.db2.gz ILQIASMDQYLPHV-NXEZZACHSA-N 1 0 391.287 1.594 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000842795003 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GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1nn(C)cc1I ZINC000821831429 655435795 /nfs/dbraw/zinc/43/57/95/655435795.db2.gz YUTHDPQJNGKCRK-LBPRGKRZSA-N 1 0 376.242 1.514 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC000845826068 655436355 /nfs/dbraw/zinc/43/63/55/655436355.db2.gz KOUVUYZXANXPPS-VIFPVBQESA-N 1 0 377.297 1.829 20 0 GDADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000846208322 655449841 /nfs/dbraw/zinc/44/98/41/655449841.db2.gz IHQSTIWYXCXBIK-ZIAGYGMSSA-N 1 0 391.343 1.814 20 0 GDADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(N)nc(Br)c2)CC1 ZINC000823057163 655455834 /nfs/dbraw/zinc/45/58/34/655455834.db2.gz QHGZOFAMTPMNDN-NSHDSACASA-N 1 0 383.290 1.752 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000846698217 655458976 /nfs/dbraw/zinc/45/89/76/655458976.db2.gz CKBYOYPUYXIDOP-ZJUUUORDSA-N 1 0 386.417 1.480 20 0 GDADRO C[NH+](C)CC1(NC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1 ZINC000847113825 655465586 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C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)C1 ZINC000848293336 655486809 /nfs/dbraw/zinc/48/68/09/655486809.db2.gz HNBJQYHFGVSZDT-OCAPTIKFSA-N 1 0 396.332 1.228 20 0 GDADRO [NH3+]C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(F)(F)F ZINC000848439251 655490145 /nfs/dbraw/zinc/49/01/45/655490145.db2.gz MSNHSZLOSSYMIY-LBPRGKRZSA-N 1 0 399.822 1.744 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000848594358 655497107 /nfs/dbraw/zinc/49/71/07/655497107.db2.gz AZGZKCRKEYUWHB-UWVGGRQHSA-N 1 0 375.269 1.807 20 0 GDADRO O[C@H]1CCC[C@H]1[NH+]1CCN(c2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000826507013 655498357 /nfs/dbraw/zinc/49/83/57/655498357.db2.gz HKWVATILMOOQCH-CABCVRRESA-N 1 0 393.289 1.665 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Br)cn3ncnc23)CCO1 ZINC000826702699 655500298 /nfs/dbraw/zinc/50/02/98/655500298.db2.gz PSNQDVXNSXUCGX-ZDUSSCGKSA-N 1 0 396.289 1.675 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@]1(C)CC1(Br)Br ZINC000827236753 655508158 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C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000850510819 655556965 /nfs/dbraw/zinc/55/69/65/655556965.db2.gz YDCTULZQCDRVTC-LRDDRELGSA-N 1 0 379.425 1.502 20 0 GDADRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850517937 655557105 /nfs/dbraw/zinc/55/71/05/655557105.db2.gz ADZGUYGVIUFANN-DZGCQCFKSA-N 1 0 379.448 1.859 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cnc1Cl ZINC000850590211 655559353 /nfs/dbraw/zinc/55/93/53/655559353.db2.gz ZEEZXLSSPBTHFR-OUCADQQQSA-N 1 0 389.905 1.651 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cnc1Cl ZINC000850589323 655559396 /nfs/dbraw/zinc/55/93/96/655559396.db2.gz SGAKKMOWHOLWBB-JSGCOSHPSA-N 1 0 389.905 1.651 20 0 GDADRO C[C@@H](CCNC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F)[NH+](C)C ZINC000850595999 655560138 /nfs/dbraw/zinc/56/01/38/655560138.db2.gz KMJNPHKIBWMFMG-JTQLQIEISA-N 1 0 377.413 1.078 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1 ZINC000850821494 655568801 /nfs/dbraw/zinc/56/88/01/655568801.db2.gz LPLNMWJPOFZARE-VIFPVBQESA-N 1 0 382.877 1.203 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850823579 655568879 /nfs/dbraw/zinc/56/88/79/655568879.db2.gz MQYIGHBBRMFPTL-VIFPVBQESA-N 1 0 384.893 1.769 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(Cc2noc(CC)n2)CC1 ZINC000851848843 655599524 /nfs/dbraw/zinc/59/95/24/655599524.db2.gz PIKOTWHUALLYCT-HNNXBMFYSA-N 1 0 376.394 1.334 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(C2N=NC(=O)N2CC)CC1 ZINC000851856974 655600075 /nfs/dbraw/zinc/60/00/75/655600075.db2.gz BKAJSJBWTGODKG-CYBMUJFWSA-N 1 0 376.394 1.768 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CCO1 ZINC000851884850 655602409 /nfs/dbraw/zinc/60/24/09/655602409.db2.gz GJHNIMGISXHYGQ-LLVKDONJSA-N 1 0 392.934 1.781 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)NC1CC[NH+](C2CCCC2)CC1 ZINC000852170538 655609313 /nfs/dbraw/zinc/60/93/13/655609313.db2.gz GQHWYFATLPVJRL-UHFFFAOYSA-N 1 0 385.452 1.670 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C1 ZINC000852224099 655610625 /nfs/dbraw/zinc/61/06/25/655610625.db2.gz ZXWBYHYQKQGVNH-RNJOBUHISA-N 1 0 385.452 1.476 20 0 GDADRO CSC[C@H](O)C[NH+]1CCC(n2nncc2I)CC1 ZINC000852532784 655617473 /nfs/dbraw/zinc/61/74/73/655617473.db2.gz PTNPWKNVIDXHSQ-SNVBAGLBSA-N 1 0 382.271 1.244 20 0 GDADRO C[C@](O)(C[N@@H+]1CCC(CO)(CO)C1)c1ccc(Br)cc1Cl ZINC000852631931 655619286 /nfs/dbraw/zinc/61/92/86/655619286.db2.gz MOJJDPNACZRLHD-AWEZNQCLSA-N 1 0 378.694 1.987 20 0 GDADRO CC[NH+]1CCC(NC(=O)CN2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000852725497 655620977 /nfs/dbraw/zinc/62/09/77/655620977.db2.gz HXFFKXOCQJUJRT-UHFFFAOYSA-N 1 0 396.329 1.553 20 0 GDADRO CN1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)[C@@H](C[NH3+])C1 ZINC000852797894 655622871 /nfs/dbraw/zinc/62/28/71/655622871.db2.gz DBACSPJPNJWKIQ-ZDUSSCGKSA-N 1 0 378.274 1.350 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)=NO1 ZINC000852819873 655623495 /nfs/dbraw/zinc/62/34/95/655623495.db2.gz HQBOLYYZEJWRDT-ZDUSSCGKSA-N 1 0 382.258 1.675 20 0 GDADRO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1([NH2+]C2CC2)CCC1 ZINC000852839999 655624013 /nfs/dbraw/zinc/62/40/13/655624013.db2.gz OXAPMPNDIABANC-UHFFFAOYSA-N 1 0 383.436 1.339 20 0 GDADRO CC[C@@H]([NH2+]C)C(=O)N1CCC(n2nncc2I)CC1 ZINC000852860924 655624429 /nfs/dbraw/zinc/62/44/29/655624429.db2.gz LKKNMVIFBIHHQG-SNVBAGLBSA-N 1 0 377.230 1.044 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000852880965 655625052 /nfs/dbraw/zinc/62/50/52/655625052.db2.gz PLEDNQJQQURMRA-SNVBAGLBSA-N 1 0 392.200 1.503 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N(C)CC(C)(C)[NH3+])ccc1Br ZINC000852898426 655625807 /nfs/dbraw/zinc/62/58/07/655625807.db2.gz LIKTZFZXOHJLRF-UHFFFAOYSA-N 1 0 392.319 1.509 20 0 GDADRO O=C([C@@H]1CCCC[NH2+]1)N1CCC(n2nncc2I)CC1 ZINC000852909249 655627670 /nfs/dbraw/zinc/62/76/70/655627670.db2.gz WHDAJVLNBZBCIH-NSHDSACASA-N 1 0 389.241 1.188 20 0 GDADRO O=C([C@H]1CCCC[NH2+]1)N1CCC(n2nncc2I)CC1 ZINC000852909248 655627735 /nfs/dbraw/zinc/62/77/35/655627735.db2.gz WHDAJVLNBZBCIH-LLVKDONJSA-N 1 0 389.241 1.188 20 0 GDADRO CS[C@@H]1CN(c2ccc(C(=O)C3CC3)cc2S(N)(=O)=O)C[C@@H]1[NH+](C)C ZINC000853461490 655640127 /nfs/dbraw/zinc/64/01/27/655640127.db2.gz TVPXLRIJSGSEBP-LSDHHAIUSA-N 1 0 383.539 1.409 20 0 GDADRO O=C(c1c(Br)nc2n1CCC2)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854329358 655662511 /nfs/dbraw/zinc/66/25/11/655662511.db2.gz ALFZLTOPXGUHTC-CYBMUJFWSA-N 1 0 397.317 1.919 20 0 GDADRO C[NH+]1CCN(c2cccc(C(=O)NCc3cnc(Br)cn3)n2)CC1 ZINC000854350239 655663078 /nfs/dbraw/zinc/66/30/78/655663078.db2.gz UPKFFDRUAUBGJE-UHFFFAOYSA-N 1 0 391.273 1.316 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3csc(I)n3)C2)C1 ZINC000854605094 655672330 /nfs/dbraw/zinc/67/23/30/655672330.db2.gz HOONSBPVTFOGPL-LBPRGKRZSA-N 1 0 377.251 1.916 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C)NS(=O)(=O)c1cccnc1Cl ZINC000854654222 655673467 /nfs/dbraw/zinc/67/34/67/655673467.db2.gz KDWKTTLHWRRZLJ-JHJVBQTASA-N 1 0 388.921 1.343 20 0 GDADRO C[NH+](C)CC1CN(C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000854723459 655675171 /nfs/dbraw/zinc/67/51/71/655675171.db2.gz CEMCSZBRPLXKTI-UHFFFAOYSA-N 1 0 384.221 1.573 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000855346058 655692421 /nfs/dbraw/zinc/69/24/21/655692421.db2.gz MWVJRPWPXQJHIH-NSHDSACASA-N 1 0 397.513 1.746 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000855697309 655699754 /nfs/dbraw/zinc/69/97/54/655699754.db2.gz OFOGUPDFBFRMRX-HNNXBMFYSA-N 1 0 376.284 1.505 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000856724216 655715261 /nfs/dbraw/zinc/71/52/61/655715261.db2.gz XZXAUJSMYYGYEW-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000856745609 655716558 /nfs/dbraw/zinc/71/65/58/655716558.db2.gz VIAUUIFEHSWGJS-HUUCEWRRSA-N 1 0 375.535 1.647 20 0 GDADRO CC[NH+]1CCC(NC(=O)CN2CC(O)(c3cccc(Br)c3)C2)CC1 ZINC000856819909 655719759 /nfs/dbraw/zinc/71/97/59/655719759.db2.gz BVRFCMDMCBPUNE-UHFFFAOYSA-N 1 0 396.329 1.553 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C2 ZINC000857235821 655731677 /nfs/dbraw/zinc/73/16/77/655731677.db2.gz VRKWUSRMUTZLKX-QMTHXVAHSA-N 1 0 377.388 1.689 20 0 GDADRO COc1cc(C[NH2+]CCS(=O)(=O)N2CCOCC2)cc(C(F)(F)F)c1 ZINC000858127067 655744638 /nfs/dbraw/zinc/74/46/38/655744638.db2.gz SFFLYPOZMBTVMS-UHFFFAOYSA-N 1 0 382.404 1.466 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(SC(F)(F)F)nc2)CC1 ZINC000858423495 655748035 /nfs/dbraw/zinc/74/80/35/655748035.db2.gz JLSUIMQQLDEJEH-UHFFFAOYSA-N 1 0 376.404 1.540 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000858606604 655749977 /nfs/dbraw/zinc/74/99/77/655749977.db2.gz FUVHSDUAXPZWBX-QWRGUYRKSA-N 1 0 379.404 1.854 20 0 GDADRO [NH3+]C[C@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C1CCCC1 ZINC000858611320 655750216 /nfs/dbraw/zinc/75/02/16/655750216.db2.gz XLKOEQFNGDFCES-ZDUSSCGKSA-N 1 0 379.404 1.983 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(Br)o1 ZINC000858631321 655751352 /nfs/dbraw/zinc/75/13/52/655751352.db2.gz CDHAJEHZBGCZKW-SFYZADRCSA-N 1 0 381.248 1.248 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CCOCC[NH3+])c(Cl)cc1Cl ZINC000858634392 655751694 /nfs/dbraw/zinc/75/16/94/655751694.db2.gz RHPDOKJANNGDMA-UHFFFAOYSA-N 1 0 385.269 1.376 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1cnc(Br)c(Br)c1 ZINC000859660850 655788407 /nfs/dbraw/zinc/78/84/07/655788407.db2.gz UIEOFTPRAJSHJA-MRVPVSSYSA-N 1 0 394.067 1.717 20 0 GDADRO Cc1nc2sccn2c1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000859942726 655792024 /nfs/dbraw/zinc/79/20/24/655792024.db2.gz VHUNKQMWYBAXBY-CYBMUJFWSA-N 1 0 384.527 1.285 20 0 GDADRO CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@@]1(C)Br)[C@@H]1CCS(=O)(=O)C1 ZINC000860424318 655800267 /nfs/dbraw/zinc/80/02/67/655800267.db2.gz FGELVNLAKVNTPQ-VNHYZAJKSA-N 1 0 395.363 1.517 20 0 GDADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000861358066 655820162 /nfs/dbraw/zinc/82/01/62/655820162.db2.gz VCKIYJJZZMBEKW-BONVTDFDSA-N 1 0 388.262 1.442 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cc2ccccc2nc1Br ZINC000861520911 655824443 /nfs/dbraw/zinc/82/44/43/655824443.db2.gz AYMQUDHWFGJULQ-LLVKDONJSA-N 1 0 393.241 1.040 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cccc(F)c1I ZINC000861541888 655825374 /nfs/dbraw/zinc/82/53/74/655825374.db2.gz IILPTWILHHCEGO-ZETCQYMHSA-N 1 0 379.173 1.174 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861541884 655825420 /nfs/dbraw/zinc/82/54/20/655825420.db2.gz IXKAMGIIKVSCEF-SECBINFHSA-N 1 0 375.210 1.344 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000861543586 655825679 /nfs/dbraw/zinc/82/56/79/655825679.db2.gz DBIGCIDYYUUCAM-SSDOTTSWSA-N 1 0 395.628 1.689 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000861650006 655827504 /nfs/dbraw/zinc/82/75/04/655827504.db2.gz XDQXRXMIUIVWPP-DTWKUNHWSA-N 1 0 399.357 1.132 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000861650007 655827555 /nfs/dbraw/zinc/82/75/55/655827555.db2.gz XDQXRXMIUIVWPP-IUCAKERBSA-N 1 0 399.357 1.132 20 0 GDADRO COCC[NH+](CCOC)C1CCN(C(=O)c2c(Cl)nn(C)c2Cl)CC1 ZINC000861681624 655828265 /nfs/dbraw/zinc/82/82/65/655828265.db2.gz NLRBFFFUKFTDTK-UHFFFAOYSA-N 1 0 393.315 1.926 20 0 GDADRO O=C(c1csc(I)n1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861718161 655829189 /nfs/dbraw/zinc/82/91/89/655829189.db2.gz WKJYCSAQRMAINY-BDAKNGLRSA-N 1 0 393.250 1.029 20 0 GDADRO C[C@]1(CCNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[C@@]1(F)Cl ZINC000861781370 655830595 /nfs/dbraw/zinc/83/05/95/655830595.db2.gz UCMBBQQLRHIGPU-NUZBWSBOSA-N 1 0 387.805 1.793 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CN3C(=S)N=NC3c3ccc(Cl)cc3)C[C@H]21 ZINC000861910091 655833472 /nfs/dbraw/zinc/83/34/72/655833472.db2.gz ZTAMBMWOXRPBRY-NHAGDIPZSA-N 1 0 377.901 1.906 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]CCOCCS(C)(=O)=O ZINC000862280209 655843811 /nfs/dbraw/zinc/84/38/11/655843811.db2.gz ZEERPYCGAOATDO-GFCCVEGCSA-N 1 0 386.461 1.282 20 0 GDADRO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862364566 655845168 /nfs/dbraw/zinc/84/51/68/655845168.db2.gz DDAFZHYOEISUHL-IHRRRGAJSA-N 1 0 376.519 1.566 20 0 GDADRO CC(C)(C)OC(=O)N1[C@H](CN2CC[C@H](CS(C)(=O)=O)C2)COC1(C)C ZINC000862373382 655845246 /nfs/dbraw/zinc/84/52/46/655845246.db2.gz FFOSKEWPURPSKD-UONOGXRCSA-N 1 0 376.519 1.725 20 0 GDADRO C[N@H+](CN1CC[C@@H](c2cccc(Br)c2)C1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322859 655865924 /nfs/dbraw/zinc/86/59/24/655865924.db2.gz RXMYPWQASLXJLN-CFVMTHIKSA-N 1 0 380.286 1.918 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000863548570 655875425 /nfs/dbraw/zinc/87/54/25/655875425.db2.gz RUKGTGARUAVJQM-CQSZACIVSA-N 1 0 375.441 1.551 20 0 GDADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000863571299 655875979 /nfs/dbraw/zinc/87/59/79/655875979.db2.gz VCMUKNAHFNFNMX-WMZOPIPTSA-N 1 0 399.329 1.688 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000863771881 655880572 /nfs/dbraw/zinc/88/05/72/655880572.db2.gz DSAFEAWOUAKJEL-GXTWGEPZSA-N 1 0 382.302 1.831 20 0 GDADRO Ic1ccc(-n2cc(CCN3CC[NH2+]CC3)nn2)cc1 ZINC000864619713 655903410 /nfs/dbraw/zinc/90/34/10/655903410.db2.gz IQMSFJRPMTWTTC-UHFFFAOYSA-N 1 0 383.237 1.320 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(I)nn1C ZINC000864860452 655907179 /nfs/dbraw/zinc/90/71/79/655907179.db2.gz LCMPWZFUVVEGQC-SNVBAGLBSA-N 1 0 376.242 1.629 20 0 GDADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000865010005 655910021 /nfs/dbraw/zinc/91/00/21/655910021.db2.gz KVUBSPIXCCWWRR-UHFFFAOYSA-N 1 0 381.274 1.891 20 0 GDADRO C[C@H](CNC(=O)c1cc(I)nn1C)[NH+]1CCC(C)CC1 ZINC000865029155 655910498 /nfs/dbraw/zinc/91/04/98/655910498.db2.gz PZDSNWYSWAYBNA-LLVKDONJSA-N 1 0 390.269 1.875 20 0 GDADRO Cn1nc2c(c1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)CCCC2 ZINC000865460480 655920273 /nfs/dbraw/zinc/92/02/73/655920273.db2.gz QTEMQCAKOGDILX-UHFFFAOYSA-N 1 0 376.473 1.653 20 0 GDADRO Cc1ccnc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1Br ZINC000865481893 655920463 /nfs/dbraw/zinc/92/04/63/655920463.db2.gz XWSASNAKZXSAKR-BDJLRTHQSA-N 1 0 381.274 1.963 20 0 GDADRO Cc1ccnc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1Br ZINC000865555542 655921834 /nfs/dbraw/zinc/92/18/34/655921834.db2.gz BNKRWLVALSSICJ-RYUDHWBXSA-N 1 0 376.320 1.960 20 0 GDADRO CS[C@@H]1CN(c2ccc(Br)cc2S(N)(=O)=O)C[C@@H]1[NH+](C)C ZINC000865645370 655923428 /nfs/dbraw/zinc/92/34/28/655923428.db2.gz YZSWJMWTHPRDRC-NWDGAFQWSA-N 1 0 394.360 1.578 20 0 GDADRO Cn1ncc(Br)c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000865747667 655925718 /nfs/dbraw/zinc/92/57/18/655925718.db2.gz PFQFPRIQONEUHR-DGCLKSJQSA-N 1 0 389.294 1.643 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000865773743 655926529 /nfs/dbraw/zinc/92/65/29/655926529.db2.gz YCAFPCDZHWOHAT-UHFFFAOYSA-N 1 0 392.257 1.524 20 0 GDADRO CCN1CC[NH+](CCCCNC(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000865794489 655926852 /nfs/dbraw/zinc/92/68/52/655926852.db2.gz STLPFGYCYBIZND-UHFFFAOYSA-N 1 0 399.333 1.145 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(c3c(F)cc(S(N)(=O)=O)cc3Br)CC[C@H]21 ZINC000866209683 655936095 /nfs/dbraw/zinc/93/60/95/655936095.db2.gz VATHFMAYGWRPHK-NOZJJQNGSA-N 1 0 392.294 1.766 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000866366606 655938544 /nfs/dbraw/zinc/93/85/44/655938544.db2.gz QTZCSNBHIVAVSC-UWVGGRQHSA-N 1 0 376.242 1.627 20 0 GDADRO Cn1ncc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c1Br ZINC000866397842 655940088 /nfs/dbraw/zinc/94/00/88/655940088.db2.gz BHNRQHSJGVZDTP-UHFFFAOYSA-N 1 0 379.324 1.725 20 0 GDADRO Cn1ncc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)c1Br ZINC000866424526 655942211 /nfs/dbraw/zinc/94/22/11/655942211.db2.gz GEAXGNKTQHKXKJ-UHFFFAOYSA-N 1 0 387.303 1.723 20 0 GDADRO CC[NH+]1CCC(NS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC1 ZINC000866478619 655945883 /nfs/dbraw/zinc/94/58/83/655945883.db2.gz KRKWZSGBEKIKGL-UHFFFAOYSA-N 1 0 379.404 1.950 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc3onc(Cl)c3c2)CC1 ZINC000866485544 655946447 /nfs/dbraw/zinc/94/64/47/655946447.db2.gz SFDCZKQVULUIMM-UHFFFAOYSA-N 1 0 386.905 1.787 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+][C@H]2COc3cccc(Br)c3C2)CC1 ZINC000866594838 655951075 /nfs/dbraw/zinc/95/10/75/655951075.db2.gz PGMPTJQOZCYYHB-GFCCVEGCSA-N 1 0 389.315 1.766 20 0 GDADRO COC[C@H](CC1CCOCC1)[NH2+]Cc1c(I)cnn1C ZINC000866631319 655952028 /nfs/dbraw/zinc/95/20/28/655952028.db2.gz LDFHGABEBGIHLG-LBPRGKRZSA-N 1 0 393.269 1.946 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1Br ZINC000866744785 655958286 /nfs/dbraw/zinc/95/82/86/655958286.db2.gz TXEVCHLHKIEKKJ-WDEREUQCSA-N 1 0 377.308 1.335 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866747812 655958522 /nfs/dbraw/zinc/95/85/22/655958522.db2.gz VEEZKDRWWUPIIY-JTQLQIEISA-N 1 0 389.934 1.259 20 0 GDADRO C[C@]1(CS(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1(Cl)Cl ZINC000866758535 655959673 /nfs/dbraw/zinc/95/96/73/655959673.db2.gz UVEKBRYBLVSRGN-WCQYABFASA-N 1 0 386.345 1.220 20 0 GDADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000866763352 655960185 /nfs/dbraw/zinc/96/01/85/655960185.db2.gz DFUXEQJRWFAEDY-SNVBAGLBSA-N 1 0 387.918 1.013 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1Br ZINC000866765069 655960401 /nfs/dbraw/zinc/96/04/01/655960401.db2.gz QQVWRQBBOHZTOQ-GFCCVEGCSA-N 1 0 385.287 1.348 20 0 GDADRO Cn1cc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)c(Br)n1 ZINC000866765464 655960414 /nfs/dbraw/zinc/96/04/14/655960414.db2.gz VSRDDLGNSILWOH-UHFFFAOYSA-N 1 0 379.324 1.712 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C(F)(F)F ZINC000866766306 655960554 /nfs/dbraw/zinc/96/05/54/655960554.db2.gz ODYXNLZQUZGTFG-NEPJUHHUSA-N 1 0 380.436 1.839 20 0 GDADRO C[C@@]1(CS(=O)(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1(Cl)Cl ZINC000866770695 655961222 /nfs/dbraw/zinc/96/12/22/655961222.db2.gz BYIFJRZRIVBURY-RYUDHWBXSA-N 1 0 382.317 1.287 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)nc3F)C2)C1 ZINC000866773851 655961844 /nfs/dbraw/zinc/96/18/44/655961844.db2.gz GIYZSFTZARJDAB-QJPTWQEYSA-N 1 0 377.869 1.781 20 0 GDADRO Cn1ncc(S(=O)(=O)NCC[C@H]([NH3+])Cc2ccccc2)c1C(F)(F)F ZINC000866789024 655963765 /nfs/dbraw/zinc/96/37/65/655963765.db2.gz ZSFJUVSBJQYNIO-LBPRGKRZSA-N 1 0 376.404 1.677 20 0 GDADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1c[nH]nc1C(F)(F)F ZINC000866792133 655964230 /nfs/dbraw/zinc/96/42/30/655964230.db2.gz UKJXQMNUNLJPGC-LLVKDONJSA-N 1 0 382.408 1.350 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)c1F ZINC000866795274 655964540 /nfs/dbraw/zinc/96/45/40/655964540.db2.gz VQJGJNYPERTIAD-UHFFFAOYSA-N 1 0 376.837 1.910 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000866805234 655965672 /nfs/dbraw/zinc/96/56/72/655965672.db2.gz HWBLMTCLBUMLQH-WAAGHKOSSA-N 1 0 377.260 1.251 20 0 GDADRO COCCC1(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC[NH2+]CC1 ZINC000866819968 655966934 /nfs/dbraw/zinc/96/69/34/655966934.db2.gz BCPMUIRZUPYZPU-UHFFFAOYSA-N 1 0 390.889 1.564 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000866907375 655975896 /nfs/dbraw/zinc/97/58/96/655975896.db2.gz DHZFFMZXAMQDBF-QGZVFWFLSA-N 1 0 385.555 1.947 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)N=[S@](C)(=O)c2ccccc2F)C1 ZINC000866921378 655977466 /nfs/dbraw/zinc/97/74/66/655977466.db2.gz SFWHJVYNGBUQPL-WDVBMNPBSA-N 1 0 377.507 1.990 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)N=[S@@](C)(=O)c3ccccc3F)CC[C@@H]21 ZINC000866973003 655983331 /nfs/dbraw/zinc/98/33/31/655983331.db2.gz XXWYQFLCZUEAIC-NYWJGDLRSA-N 1 0 389.518 1.943 20 0 GDADRO CC[NH+](CC)CCN(C(=O)CC(F)(F)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000866986983 655984481 /nfs/dbraw/zinc/98/44/81/655984481.db2.gz CSTXBHXIFCLZMI-LLVKDONJSA-N 1 0 394.406 1.932 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CCC1 ZINC000867153084 656003370 /nfs/dbraw/zinc/00/33/70/656003370.db2.gz BDHXRNSQUBSXFD-UHFFFAOYSA-N 1 0 379.404 1.950 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000867298208 656033241 /nfs/dbraw/zinc/03/32/41/656033241.db2.gz CDFFCXGNNWFVII-HUUCEWRRSA-N 1 0 375.535 1.599 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000867466390 656066562 /nfs/dbraw/zinc/06/65/62/656066562.db2.gz QTTOQPGEZOFYMI-UHFFFAOYSA-N 1 0 377.551 1.895 20 0 GDADRO O=C(NCCSCCC(F)(F)F)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000867512282 656073918 /nfs/dbraw/zinc/07/39/18/656073918.db2.gz GETSFTYOGJAMPX-CYBMUJFWSA-N 1 0 381.464 1.733 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1C(F)(F)F ZINC000867619572 656094579 /nfs/dbraw/zinc/09/45/79/656094579.db2.gz JHLDNZKARCIWHW-UHFFFAOYSA-N 1 0 380.436 1.935 20 0 GDADRO Cc1nc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)CC2)c(Br)n1C ZINC000867681507 656102021 /nfs/dbraw/zinc/10/20/21/656102021.db2.gz ZIDFJDKFSIOFTN-UHFFFAOYSA-N 1 0 379.324 1.596 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000867707868 656104714 /nfs/dbraw/zinc/10/47/14/656104714.db2.gz UPEAJNQEKCUOIL-UHFFFAOYSA-N 1 0 397.317 1.793 20 0 GDADRO Cc1nc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(Br)n1C ZINC000867809518 656119660 /nfs/dbraw/zinc/11/96/60/656119660.db2.gz SGQLXIGIXYFYAZ-QWRGUYRKSA-N 1 0 377.308 1.206 20 0 GDADRO CC(=O)N[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1cccc(Br)c1 ZINC000867873766 656127937 /nfs/dbraw/zinc/12/79/37/656127937.db2.gz QYDCNAPJXOKICE-LZWOXQAQSA-N 1 0 380.286 1.646 20 0 GDADRO Cn1cc(N2CCC[C@H](NC(=O)[C@@H]([NH3+])c3cccc(Br)c3)C2)cn1 ZINC000867963900 656135915 /nfs/dbraw/zinc/13/59/15/656135915.db2.gz YAUKCXGFDDDMIC-HOCLYGCPSA-N 1 0 392.301 1.968 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H](C)C2CC[NH2+]CC2)s1 ZINC000868003542 656137273 /nfs/dbraw/zinc/13/72/73/656137273.db2.gz YMCHDAKTUHLWTA-HIFRSBDPSA-N 1 0 385.555 1.714 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868248600 656146307 /nfs/dbraw/zinc/14/63/07/656146307.db2.gz QKISBGBTVGVIQV-ZCFIWIBFSA-N 1 0 379.052 1.614 20 0 GDADRO CN(C(=O)C(=O)Nc1ccc(Br)c(Br)c1)C1C[NH2+]C1 ZINC000868250553 656146443 /nfs/dbraw/zinc/14/64/43/656146443.db2.gz FQYPFAONBPEACY-UHFFFAOYSA-N 1 0 391.063 1.580 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000868250707 656146500 /nfs/dbraw/zinc/14/65/00/656146500.db2.gz HWBJLOPFZFCGMH-CMPLNLGQSA-N 1 0 382.258 1.607 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ncc(Br)s1 ZINC000868280177 656148554 /nfs/dbraw/zinc/14/85/54/656148554.db2.gz CKDFTUWFNKVBKR-SNVBAGLBSA-N 1 0 377.308 1.816 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000868285534 656148559 /nfs/dbraw/zinc/14/85/59/656148559.db2.gz JYYFVRLDVFQNLB-POYBYMJQSA-N 1 0 395.179 1.750 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NCc2c(I)cnn2C)CC[N@@H+]1C ZINC000868373944 656152611 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20 0 GDADRO C[NH+](C)CCn1cc(C(=O)Nc2[nH]nc3cnc(Br)cc32)cn1 ZINC000869770272 656206856 /nfs/dbraw/zinc/20/68/56/656206856.db2.gz OTQNEYWPCHZVBD-UHFFFAOYSA-N 1 0 378.234 1.731 20 0 GDADRO O=C(CS[C@H]1CCS(=O)(=O)C1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869817225 656208423 /nfs/dbraw/zinc/20/84/23/656208423.db2.gz OILXYDWNNBQZNI-INIZCTEOSA-N 1 0 380.535 1.251 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)O[C@H](C)C[C@@H]1CCCC[N@@H+]1C ZINC000870791200 656247637 /nfs/dbraw/zinc/24/76/37/656247637.db2.gz ZKPGJTVLCZFHRU-QLFBSQMISA-N 1 0 380.576 1.854 20 0 GDADRO [NH3+][C@H](C(=O)N1CCC[C@H](N2CCNC2=O)C1)c1cccc(Br)c1 ZINC000870873382 656251127 /nfs/dbraw/zinc/25/11/27/656251127.db2.gz CAUGXWKQGCSLIG-KBPBESRZSA-N 1 0 381.274 1.465 20 0 GDADRO COCc1nc2n(n1)C[C@H](NC(=O)[C@@H]([NH3+])c1cccc(Br)c1)CC2 ZINC000870907589 656254716 /nfs/dbraw/zinc/25/47/16/656254716.db2.gz ZICLOYSJDIYDLZ-DOMZBBRYSA-N 1 0 394.273 1.318 20 0 GDADRO O=C(CCC12CC(C1)C[NH2+]2)NC[C@H](O)COc1ccccc1Br ZINC000870906999 656254758 /nfs/dbraw/zinc/25/47/58/656254758.db2.gz NZIXEUYUPASVNP-JZLYGMAVSA-N 1 0 383.286 1.837 20 0 GDADRO C[NH2+]C1CCN(C(=O)c2cnn(C(C)C)c2I)CC1 ZINC000870936336 656256488 /nfs/dbraw/zinc/25/64/88/656256488.db2.gz HDQRKWSAMCAAGM-UHFFFAOYSA-N 1 0 376.242 1.893 20 0 GDADRO CCO[C@@H]1CN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000870949675 656258829 /nfs/dbraw/zinc/25/88/29/656258829.db2.gz MTHQGLPXTNLDMT-BMFZPTHFSA-N 1 0 398.301 1.449 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000870967112 656259287 /nfs/dbraw/zinc/25/92/87/656259287.db2.gz HQENRTXMAHENFQ-BYCMXARLSA-N 1 0 380.286 1.907 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000870970149 656259294 /nfs/dbraw/zinc/25/92/94/656259294.db2.gz HQENRTXMAHENFQ-KCPJHIHWSA-N 1 0 380.286 1.907 20 0 GDADRO CC(C)(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000870967008 656259310 /nfs/dbraw/zinc/25/93/10/656259310.db2.gz YGCYPVYCMTWJFN-KLPPZKSPSA-N 1 0 389.315 1.855 20 0 GDADRO CC(C)(C(=O)NC[C@H]1C[C@H]([NH3+])C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000870972341 656259458 /nfs/dbraw/zinc/25/94/58/656259458.db2.gz YGCYPVYCMTWJFN-UMSPYCQHSA-N 1 0 389.315 1.855 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000870972375 656259508 /nfs/dbraw/zinc/25/95/08/656259508.db2.gz ZFVHTUUARHMLNN-FXPVBKGRSA-N 1 0 380.242 1.287 20 0 GDADRO O=C([C@H]1SCCc2sccc21)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871000427 656259819 /nfs/dbraw/zinc/25/98/19/656259819.db2.gz UOWUDRJSPOWSJH-QJZXMWHDSA-N 1 0 379.507 1.472 20 0 GDADRO O=C(Cc1cccc(Br)c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871000994 656259822 /nfs/dbraw/zinc/25/98/22/656259822.db2.gz POZQYMSFHNKUHB-KFWWJZLASA-N 1 0 394.269 1.385 20 0 GDADRO O=C(c1cc(F)ccc1Br)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871002869 656259905 /nfs/dbraw/zinc/25/99/05/656259905.db2.gz WUDAYCXCHGTSMR-HONMWMINSA-N 1 0 398.232 1.595 20 0 GDADRO [NH3+]CCCCn1cc(C(=O)N[C@@H]2COc3cccc(Br)c3C2)nn1 ZINC000871007656 656260145 /nfs/dbraw/zinc/26/01/45/656260145.db2.gz IMDUKHOGOVYWBX-NSHDSACASA-N 1 0 394.273 1.513 20 0 GDADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871804468 656279998 /nfs/dbraw/zinc/27/99/98/656279998.db2.gz BDROZVILJPUARN-QKESZYPNSA-N 1 0 379.470 1.587 20 0 GDADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)nc2sccn21 ZINC000871809606 656280906 /nfs/dbraw/zinc/28/09/06/656280906.db2.gz FQTHEACZSDRVBD-SNVBAGLBSA-N 1 0 390.918 1.486 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000871810917 656281132 /nfs/dbraw/zinc/28/11/32/656281132.db2.gz KUTSUMOVAAPGFM-CQSZACIVSA-N 1 0 380.491 1.836 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)CCc2noc3ccccc32)C[C@@H]1C(F)(F)F ZINC000871812569 656281582 /nfs/dbraw/zinc/28/15/82/656281582.db2.gz HHCIPGATSAYBFL-JQWIXIFHSA-N 1 0 377.388 1.769 20 0 GDADRO CC(=O)Nc1ccc(C)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000871812172 656281591 /nfs/dbraw/zinc/28/15/91/656281591.db2.gz YCHRTVVHTYHZTF-YPMHNXCESA-N 1 0 379.404 1.711 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1C ZINC000871813143 656281886 /nfs/dbraw/zinc/28/18/86/656281886.db2.gz GJHCBTUQKNWWQX-MFKMUULPSA-N 1 0 380.388 1.539 20 0 GDADRO CN(C)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000871814539 656282862 /nfs/dbraw/zinc/28/28/62/656282862.db2.gz VVXQOABNCFAKTL-AAEUAGOBSA-N 1 0 379.404 1.146 20 0 GDADRO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871814742 656283067 /nfs/dbraw/zinc/28/30/67/656283067.db2.gz XLHIPGCKSMHSLP-STQMWFEESA-N 1 0 382.452 1.914 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1)C(F)(F)F ZINC000871819172 656283792 /nfs/dbraw/zinc/28/37/92/656283792.db2.gz JWBMAUKKSAKOTO-GXTWGEPZSA-N 1 0 377.388 1.750 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2)C(F)(F)F ZINC000871820927 656284048 /nfs/dbraw/zinc/28/40/48/656284048.db2.gz XYDDKCUJHKVTDQ-OCCSQVGLSA-N 1 0 377.388 1.750 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872065049 656318346 /nfs/dbraw/zinc/31/83/46/656318346.db2.gz RQUVVYRXYFTAJV-GXTWGEPZSA-N 1 0 377.304 1.666 20 0 GDADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)C[C@H]1C(F)(F)F ZINC000872150037 656318586 /nfs/dbraw/zinc/31/85/86/656318586.db2.gz CTMDLSVIGTXOSB-PSASIEDQSA-N 1 0 381.196 1.852 20 0 GDADRO [NH3+]C[C@@H]1CN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@@H]1C(F)(F)F ZINC000872149444 656318601 /nfs/dbraw/zinc/31/86/01/656318601.db2.gz OAGJIORPUYLIIA-DOMZBBRYSA-N 1 0 377.432 1.696 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000872121003 656318640 /nfs/dbraw/zinc/31/86/40/656318640.db2.gz ITZJXDIYBUIIOW-KZWSWKJNSA-N 1 0 386.539 1.601 20 0 GDADRO Cc1nn(CCS(C)(=O)=O)c(C)c1CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148930 656318668 /nfs/dbraw/zinc/31/86/68/656318668.db2.gz JLGUNMWTHKICQQ-GXTWGEPZSA-N 1 0 382.452 1.114 20 0 GDADRO C[C@@]1(c2nc(CC(=O)Nc3ccccc3Br)no2)C[NH2+]CCO1 ZINC000872180493 656319139 /nfs/dbraw/zinc/31/91/39/656319139.db2.gz STEZOULFJGXLIL-HNNXBMFYSA-N 1 0 381.230 1.848 20 0 GDADRO C[NH+](C)C[C@H](N)c1nc(-c2cccn3c(I)cnc23)no1 ZINC000872179827 656319225 /nfs/dbraw/zinc/31/92/25/656319225.db2.gz HZJYLDUNMPIXOT-VIFPVBQESA-N 1 0 398.208 1.550 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872186233 656319374 /nfs/dbraw/zinc/31/93/74/656319374.db2.gz IZPMOWICJOKWCW-SUMWQHHRSA-N 1 0 380.286 1.475 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N(Cc2cccs2)C2CC2)C[C@@H]1C(F)(F)F ZINC000872187729 656319527 /nfs/dbraw/zinc/31/95/27/656319527.db2.gz YIATZJNQMAPKGE-MFKMUULPSA-N 1 0 375.416 1.835 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]C[C@H](O)COc3ccc(Cl)c(Cl)c3)COCCN12 ZINC000872229179 656320410 /nfs/dbraw/zinc/32/04/10/656320410.db2.gz OFEFPIQSMGHWQS-MEDUHNTESA-N 1 0 391.251 1.544 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000872247641 656321477 /nfs/dbraw/zinc/32/14/77/656321477.db2.gz NKTXLEUPJQXWBU-FUHWJXTLSA-N 1 0 383.897 1.970 20 0 GDADRO CC1(C)CC[NH2+]CCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000872292820 656322173 /nfs/dbraw/zinc/32/21/73/656322173.db2.gz SGBWTLUWRLWMTB-UHFFFAOYSA-N 1 0 394.269 1.646 20 0 GDADRO CC1(C)CC[NH2+]CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000872293168 656322438 /nfs/dbraw/zinc/32/24/38/656322438.db2.gz JFOLTKPJRMOJIN-UHFFFAOYSA-N 1 0 385.555 1.676 20 0 GDADRO COCCN(CCOC)S(=O)(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872530480 656350420 /nfs/dbraw/zinc/35/04/20/656350420.db2.gz DCKOKDXWYLDJKW-UHFFFAOYSA-N 1 0 377.551 1.166 20 0 GDADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872617217 656366367 /nfs/dbraw/zinc/36/63/67/656366367.db2.gz NSWIPABGUWEPKM-WDEREUQCSA-N 1 0 382.379 1.674 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(CN3c4cccc(Br)c4C(=O)C3=O)CC[C@H]21 ZINC000872726338 656375160 /nfs/dbraw/zinc/37/51/60/656375160.db2.gz PAMACUXEAYPDGF-DGCLKSJQSA-N 1 0 378.270 1.962 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1Br ZINC000872979696 656383155 /nfs/dbraw/zinc/38/31/55/656383155.db2.gz KSXCIPZFZIPLIC-GDBMZVCRSA-N 1 0 394.313 1.926 20 0 GDADRO CNC(=O)c1cccc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1Br ZINC000873324176 656390532 /nfs/dbraw/zinc/39/05/32/656390532.db2.gz KHTMZFVRZYUXCR-MGPLVRAMSA-N 1 0 381.274 1.882 20 0 GDADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000873718154 656406610 /nfs/dbraw/zinc/40/66/10/656406610.db2.gz KXYYNINJGVABCU-LBPRGKRZSA-N 1 0 382.258 1.801 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873814937 656418894 /nfs/dbraw/zinc/41/88/94/656418894.db2.gz WPSHFENVVVZVMX-UHFFFAOYSA-N 1 0 384.274 1.733 20 0 GDADRO CCn1c(CNC[C@@](C)(O)C[NH+](C)C)nc(Br)c1Br ZINC000921930449 656429770 /nfs/dbraw/zinc/42/97/70/656429770.db2.gz NFEFZDLILGJCOY-GFCCVEGCSA-N 1 0 398.143 1.830 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CC[N@H+]3C)nc12 ZINC000921939876 656430120 /nfs/dbraw/zinc/43/01/20/656430120.db2.gz YEIHTCGIJLHMBJ-CQSZACIVSA-N 1 0 380.290 1.951 20 0 GDADRO 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CWRWHTYDCBDDGS-UHFFFAOYSA-N 1 0 394.273 1.170 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)nc1Br ZINC000874369750 656465971 /nfs/dbraw/zinc/46/59/71/656465971.db2.gz VIMIEZNHBBKXCJ-NWDGAFQWSA-N 1 0 381.274 1.786 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)CCC1 ZINC000922472936 656481603 /nfs/dbraw/zinc/48/16/03/656481603.db2.gz JUCFYLPJGVXWNG-UHFFFAOYSA-N 1 0 394.584 1.882 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)ccc1Cl ZINC000874849749 656490792 /nfs/dbraw/zinc/49/07/92/656490792.db2.gz YLSXRPHJIPHDGY-HUUCEWRRSA-N 1 0 385.917 1.899 20 0 GDADRO O=C(NCC[N@@H+]1CCCOCC1)NC1(c2ncc(Br)cn2)CCC1 ZINC000922606932 656494249 /nfs/dbraw/zinc/49/42/49/656494249.db2.gz AQNRWENSFZLIPL-UHFFFAOYSA-N 1 0 398.305 1.640 20 0 GDADRO CO[C@]1(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CCS(=O)(=O)C1 ZINC000922617141 656495766 /nfs/dbraw/zinc/49/57/66/656495766.db2.gz DSIXLMNGVOEENX-INIZCTEOSA-N 1 0 375.512 1.997 20 0 GDADRO 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GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)s1 ZINC000876647224 656621760 /nfs/dbraw/zinc/62/17/60/656621760.db2.gz AHMRLTFKSJINFF-ZIAGYGMSSA-N 1 0 387.571 1.811 20 0 GDADRO C[S@@](=O)C1(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000876670715 656622930 /nfs/dbraw/zinc/62/29/30/656622930.db2.gz FVANAXYHTPHEMZ-ZAMGYDSWSA-N 1 0 379.309 1.644 20 0 GDADRO COC[C@@]1(C(=O)NCC2(c3cccc(Br)c3)CC2)C[NH2+]CCO1 ZINC000876661576 656622972 /nfs/dbraw/zinc/62/29/72/656622972.db2.gz FZJVQQLMEXVSMX-QGZVFWFLSA-N 1 0 383.286 1.602 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876689763 656624096 /nfs/dbraw/zinc/62/40/96/656624096.db2.gz ADHJUQQYLIIYQX-UHIISALHSA-N 1 0 375.238 1.253 20 0 GDADRO COC[C@]1(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[NH2+]CCO1 ZINC000876717955 656626200 /nfs/dbraw/zinc/62/62/00/656626200.db2.gz JHBCMCPSUPBBPT-INIZCTEOSA-N 1 0 389.283 1.042 20 0 GDADRO CCn1ncc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1Br ZINC000876832816 656633851 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CC(=O)N[C@H](C(=O)NCC1([NH3+])CCOCC1)c1cccc(Br)c1 ZINC000877014883 656646210 /nfs/dbraw/zinc/64/62/10/656646210.db2.gz SVIZASRHIDNGMZ-AWEZNQCLSA-N 1 0 384.274 1.250 20 0 GDADRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000877028679 656647131 /nfs/dbraw/zinc/64/71/31/656647131.db2.gz CYLVATSNXZERCV-AAEUAGOBSA-N 1 0 385.452 1.585 20 0 GDADRO CCOC(=O)CSC[C@@H]1NC(=O)N(C[C@H](c2cccs2)[NH+](C)C)C1=O ZINC000924434072 656648271 /nfs/dbraw/zinc/64/82/71/656648271.db2.gz CGIXRMPIZREFJA-NWDGAFQWSA-N 1 0 385.511 1.568 20 0 GDADRO COC(=O)c1csc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000877039294 656648630 /nfs/dbraw/zinc/64/86/30/656648630.db2.gz IYVFCOYRBRILAW-UHFFFAOYSA-N 1 0 382.454 1.889 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[NH2+]1 ZINC000877052958 656650330 /nfs/dbraw/zinc/65/03/30/656650330.db2.gz YYWLZVHNQXMZQB-MWLCHTKSSA-N 1 0 375.288 1.723 20 0 GDADRO Cc1ccc(-n2nc(Br)cc2C(=O)N(C)CCOCC[NH3+])cc1 ZINC000877057803 656650454 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GDADRO O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877169403 656658182 /nfs/dbraw/zinc/65/81/82/656658182.db2.gz ODCOREVFGGMCIV-OKILXGFUSA-N 1 0 383.901 1.701 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000924560149 656659815 /nfs/dbraw/zinc/65/98/15/656659815.db2.gz VXZUKDPGUDMOTM-LLVKDONJSA-N 1 0 375.441 1.553 20 0 GDADRO COC[C@@H](NC(=O)[C@@]1(COC)C[NH2+]CCO1)c1cccc(Br)c1 ZINC000877263554 656662426 /nfs/dbraw/zinc/66/24/26/656662426.db2.gz VDLJAFNTKAQKTP-ZBFHGGJFSA-N 1 0 387.274 1.258 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877272979 656662962 /nfs/dbraw/zinc/66/29/62/656662962.db2.gz BNODOJGSXKIQHQ-OLZOCXBDSA-N 1 0 392.308 1.625 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284850 656663974 /nfs/dbraw/zinc/66/39/74/656663974.db2.gz PHKAJBAFMAFRCU-GJZGRUSLSA-N 1 0 391.269 1.512 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000877291631 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387.889 1.536 20 0 GDADRO CCOC(=O)N1CCC(C)(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000877514571 656678166 /nfs/dbraw/zinc/67/81/66/656678166.db2.gz NGVZGIDZJGPDFL-HNNXBMFYSA-N 1 0 375.535 1.601 20 0 GDADRO Cc1ccnc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1Br ZINC000877572452 656681011 /nfs/dbraw/zinc/68/10/11/656681011.db2.gz FMZSWMNJHMNGKP-AWEZNQCLSA-N 1 0 381.318 1.939 20 0 GDADRO CC(C)(CNC(=O)OC(C)(C)C)C[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000877568124 656681112 /nfs/dbraw/zinc/68/11/12/656681112.db2.gz YOIJPLKYZBNCGT-UHFFFAOYSA-N 1 0 378.535 1.721 20 0 GDADRO COc1cnc(F)c(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000877621836 656684017 /nfs/dbraw/zinc/68/40/17/656684017.db2.gz AUCOLFFBNHIXIF-UHFFFAOYSA-N 1 0 383.221 1.906 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000877662894 656686965 /nfs/dbraw/zinc/68/69/65/656686965.db2.gz ZXLUVQRUMJONAN-CQSZACIVSA-N 1 0 377.551 1.799 20 0 GDADRO C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000924950288 656688020 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CC[C@@H](Sc1nc(CC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cs1)C(N)=O ZINC000878236292 656714039 /nfs/dbraw/zinc/71/40/39/656714039.db2.gz WQEQGYXQSWQFME-TZMCWYRMSA-N 1 0 384.571 1.890 20 0 GDADRO Cn1ncc(Br)c1CC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000878284365 656716804 /nfs/dbraw/zinc/71/68/04/656716804.db2.gz XAOLZUXZVGQPAN-UHFFFAOYSA-N 1 0 395.301 1.982 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000925787781 656718788 /nfs/dbraw/zinc/71/87/88/656718788.db2.gz CHSYHEDQZMAPEV-YGRLFVJLSA-N 1 0 391.306 1.942 20 0 GDADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925788600 656719266 /nfs/dbraw/zinc/71/92/66/656719266.db2.gz KMQSSMRVTOSDQB-RISCZKNCSA-N 1 0 393.322 1.886 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000925789501 656719697 /nfs/dbraw/zinc/71/96/97/656719697.db2.gz VGYLCACZQDGMRR-KGLIPLIRSA-N 1 0 387.343 1.673 20 0 GDADRO C[C@@H](CNC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)[NH+]1CCCCC1 ZINC000878353367 656721124 /nfs/dbraw/zinc/72/11/24/656721124.db2.gz XELPXQQRLPMWLE-UONOGXRCSA-N 1 0 385.555 1.578 20 0 GDADRO Cn1nnnc1CC[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000878491761 656727851 /nfs/dbraw/zinc/72/78/51/656727851.db2.gz SILHVCNUQSHUGD-UHFFFAOYSA-N 1 0 398.305 1.797 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1=O ZINC000926057998 656732340 /nfs/dbraw/zinc/73/23/40/656732340.db2.gz FJMGRHTTWVTRQD-RKDXNWHRSA-N 1 0 397.195 1.891 20 0 GDADRO COC(=O)CCc1csc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)n1 ZINC000926072087 656733667 /nfs/dbraw/zinc/73/36/67/656733667.db2.gz ZZIOJXAVLVVAJM-VHSXEESVSA-N 1 0 380.392 1.992 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000926083030 656734863 /nfs/dbraw/zinc/73/48/63/656734863.db2.gz OQOYRRQDWPTJGV-NSHDSACASA-N 1 0 397.273 1.959 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000926112924 656736385 /nfs/dbraw/zinc/73/63/85/656736385.db2.gz JIZPTVVUFQVMAC-NWDGAFQWSA-N 1 0 398.305 1.930 20 0 GDADRO CC1(C)CN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C[C@@H]1[NH3+] ZINC000926134547 656738063 /nfs/dbraw/zinc/73/80/63/656738063.db2.gz KDWSUNQCBVJDGS-ZDUSSCGKSA-N 1 0 398.305 1.882 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(S(C)(=O)=O)s1)C2 ZINC000926146327 656738467 /nfs/dbraw/zinc/73/84/67/656738467.db2.gz UPSQQDYLOHRTOV-LVRJZDEYSA-N 1 0 386.539 1.361 20 0 GDADRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2cc(Br)no2)C2(CO)CCC2)cn1 ZINC000878636751 656738954 /nfs/dbraw/zinc/73/89/54/656738954.db2.gz CHUZMUSKPCMVOR-RISCZKNCSA-N 1 0 385.262 1.698 20 0 GDADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926194578 656740873 /nfs/dbraw/zinc/74/08/73/656740873.db2.gz ULKNEKLBOVEYMX-VHSXEESVSA-N 1 0 395.257 1.853 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N2CCC[N@@H+](C(C)C)CC2)cs1)C(N)=O ZINC000878690516 656741681 /nfs/dbraw/zinc/74/16/81/656741681.db2.gz DDGAVGBKMPTNBL-AWEZNQCLSA-N 1 0 384.571 1.984 20 0 GDADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926304602 656746905 /nfs/dbraw/zinc/74/69/05/656746905.db2.gz SRYQPFKSQMRJEP-APPDUMDISA-N 1 0 388.295 1.825 20 0 GDADRO C[N@H+](CCNC(=O)Nc1ccc(F)c(Br)c1)CCOCCO ZINC000878836485 656751965 /nfs/dbraw/zinc/75/19/65/656751965.db2.gz UOHQLAKNHRVOLY-UHFFFAOYSA-N 1 0 378.242 1.650 20 0 GDADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000926404557 656752468 /nfs/dbraw/zinc/75/24/68/656752468.db2.gz YWZYIIDVCUFKIL-DOMZBBRYSA-N 1 0 395.301 1.705 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)c1cccc(Br)c1 ZINC000926418991 656753547 /nfs/dbraw/zinc/75/35/47/656753547.db2.gz AHQLGGIELBPGHG-UXIGCNINSA-N 1 0 398.301 1.306 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)CC[C@H]1[NH3+] ZINC000926433455 656754827 /nfs/dbraw/zinc/75/48/27/656754827.db2.gz SXTKNGGTAUDMOH-MEBBXXQBSA-N 1 0 398.276 1.669 20 0 GDADRO CC[C@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000926513074 656760171 /nfs/dbraw/zinc/76/01/71/656760171.db2.gz JBACOHRBTPUDBE-UKRRQHHQSA-N 1 0 377.551 1.939 20 0 GDADRO C[C@H]1OCC[C@@H]1C[NH+]1CCC(n2nncc2I)CC1 ZINC000878950208 656762345 /nfs/dbraw/zinc/76/23/45/656762345.db2.gz UEHUWHMBLWOVFK-GHMZBOCLSA-N 1 0 376.242 1.945 20 0 GDADRO CC(C)[C@@H](O)CC[NH+]1CCC(n2nncc2I)CC1 ZINC000878950015 656762447 /nfs/dbraw/zinc/76/24/47/656762447.db2.gz RFVMAIIFXDDIOG-LBPRGKRZSA-N 1 0 378.258 1.927 20 0 GDADRO NC(=O)[C@H](F)C1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000879044176 656770035 /nfs/dbraw/zinc/77/00/35/656770035.db2.gz ALANDQDQDATSCP-OAHLLOKOSA-N 1 0 397.248 1.492 20 0 GDADRO C[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1nc(Br)ccc1F ZINC000926599830 656772665 /nfs/dbraw/zinc/77/26/65/656772665.db2.gz SOOJLXZIMGUBQE-SECBINFHSA-N 1 0 385.241 1.805 20 0 GDADRO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000926955145 656782395 /nfs/dbraw/zinc/78/23/95/656782395.db2.gz YGUNGIBDVSOPNJ-CYBMUJFWSA-N 1 0 376.544 1.658 20 0 GDADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000927028396 656787750 /nfs/dbraw/zinc/78/77/50/656787750.db2.gz JKYORQOXQWLYQQ-QLFBSQMISA-N 1 0 392.315 1.664 20 0 GDADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000927042429 656788840 /nfs/dbraw/zinc/78/88/40/656788840.db2.gz MUNKJLUIKIGLEO-JATKITJMSA-N 1 0 386.539 1.696 20 0 GDADRO NC(=O)C1([NH2+]CCOc2cc(Cl)cc(Cl)c2)CCS(=O)(=O)CC1 ZINC000879411489 656792923 /nfs/dbraw/zinc/79/29/23/656792923.db2.gz VGEJZWYDWJEWPJ-UHFFFAOYSA-N 1 0 381.281 1.395 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000879559598 656806065 /nfs/dbraw/zinc/80/60/65/656806065.db2.gz PDRBXNDQZNWIAR-KGLIPLIRSA-N 1 0 383.539 1.560 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000879653045 656816690 /nfs/dbraw/zinc/81/66/90/656816690.db2.gz KZPGXTNSNXISIH-KRWDZBQOSA-N 1 0 377.551 1.799 20 0 GDADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2cn(C)nc2Br)CC1 ZINC000927621569 656817014 /nfs/dbraw/zinc/81/70/14/656817014.db2.gz 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C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000883473625 657290324 /nfs/dbraw/zinc/29/03/24/657290324.db2.gz GRGPGWYTWGTIHQ-GFCCVEGCSA-N 1 0 390.303 1.311 20 0 GDADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)N(C)C1(C[NH3+])CCCCC1)C(F)(F)F ZINC000883564593 657298497 /nfs/dbraw/zinc/29/84/97/657298497.db2.gz XMPOMOVAMKBJCP-LLVKDONJSA-N 1 0 388.456 1.112 20 0 GDADRO C[C@@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)C[C@H]1CS(N)(=O)=O ZINC000933699953 657298616 /nfs/dbraw/zinc/29/86/16/657298616.db2.gz KWJBZBKWNBSUNR-MNOVXSKESA-N 1 0 395.294 1.823 20 0 GDADRO O=C(NCCC1SCCS1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883730399 657309255 /nfs/dbraw/zinc/30/92/55/657309255.db2.gz QGXYIXSAZURESE-HNNXBMFYSA-N 1 0 388.603 1.278 20 0 GDADRO O=C(NCC[C@@H]1CC1(Cl)Cl)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883733834 657309449 /nfs/dbraw/zinc/30/94/49/657309449.db2.gz HHJBCFOBSLUOOQ-CABCVRRESA-N 1 0 393.359 1.666 20 0 GDADRO O=C(NCCC1SCCS1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883730400 657309484 /nfs/dbraw/zinc/30/94/84/657309484.db2.gz QGXYIXSAZURESE-OAHLLOKOSA-N 1 0 388.603 1.278 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cnn(C)c2I)C1 ZINC000933737964 657311459 /nfs/dbraw/zinc/31/14/59/657311459.db2.gz WHLSTQFEEVFLEE-JTQLQIEISA-N 1 0 391.257 1.973 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000933837253 657322730 /nfs/dbraw/zinc/32/27/30/657322730.db2.gz DHGGOQUEUPXGJF-UHFFFAOYSA-N 1 0 395.253 1.742 20 0 GDADRO CN1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@H+](C)CC1 ZINC000933991936 657331145 /nfs/dbraw/zinc/33/11/45/657331145.db2.gz KBMDDAJBEZTKTO-QGZVFWFLSA-N 1 0 395.345 1.734 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CN1CCN(C)CC[N@H+](C)CC1 ZINC000934001133 657332277 /nfs/dbraw/zinc/33/22/77/657332277.db2.gz YIPCNWVQEOZGQA-UHFFFAOYSA-N 1 0 397.361 1.587 20 0 GDADRO O=C([C@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000884250335 657340582 /nfs/dbraw/zinc/34/05/82/657340582.db2.gz CAZQMGKHLSTOKZ-RHSMWYFYSA-N 1 0 379.254 1.743 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cs1)C(N)=O ZINC000884288889 657343134 /nfs/dbraw/zinc/34/31/34/657343134.db2.gz PFJPQGGBQVXWRU-DYVFJYSZSA-N 1 0 382.555 1.644 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cs1)C(N)=O ZINC000884298856 657343673 /nfs/dbraw/zinc/34/36/73/657343673.db2.gz FJQZWXQIUXWKGO-VHSXEESVSA-N 1 0 378.470 1.155 20 0 GDADRO COCc1nc2n(n1)C[C@@H](NC(=O)[C@H]([NH3+])c1ccc(Br)cc1)CC2 ZINC000884327626 657346488 /nfs/dbraw/zinc/34/64/88/657346488.db2.gz YTULIZZYFURCBA-SWLSCSKDSA-N 1 0 394.273 1.318 20 0 GDADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000884345025 657349637 /nfs/dbraw/zinc/34/96/37/657349637.db2.gz VABBTDMKLHCWQE-WMLDXEAASA-N 1 0 379.254 1.885 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2cnn3cccc(Br)c23)CC1 ZINC000934305568 657351381 /nfs/dbraw/zinc/35/13/81/657351381.db2.gz RMWAQKASHVBAKC-UHFFFAOYSA-N 1 0 381.274 1.937 20 0 GDADRO [NH3+]C1(CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CCOCC1 ZINC000884433895 657356645 /nfs/dbraw/zinc/35/66/45/657356645.db2.gz VLHNQAZUANUOFF-CYBMUJFWSA-N 1 0 383.242 1.155 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000884587086 657366026 /nfs/dbraw/zinc/36/60/26/657366026.db2.gz ZUGDSKFSAVBYLS-VXGBXAGGSA-N 1 0 380.286 1.545 20 0 GDADRO COC[C@@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000884680956 657370923 /nfs/dbraw/zinc/37/09/23/657370923.db2.gz HIRQYRQGSAYORD-SWLSCSKDSA-N 1 0 398.301 1.369 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000884685168 657371212 /nfs/dbraw/zinc/37/12/12/657371212.db2.gz AJYLVHOIYNCPKR-KKUMJFAQSA-N 1 0 398.301 1.639 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1cccc(Br)c1 ZINC000884706412 657374107 /nfs/dbraw/zinc/37/41/07/657374107.db2.gz BURDNTLZHLJLHL-UONOGXRCSA-N 1 0 384.274 1.106 20 0 GDADRO O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000884814218 657380611 /nfs/dbraw/zinc/38/06/11/657380611.db2.gz BEUDOEPRYGAVSR-JTQLQIEISA-N 1 0 379.766 1.080 20 0 GDADRO O=C1CCCN1CCC[NH2+][C@H](CO)c1ccccc1I ZINC000934827898 657380971 /nfs/dbraw/zinc/38/09/71/657380971.db2.gz ARDVFPKMZRHWAC-CQSZACIVSA-N 1 0 388.249 1.927 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OCC(F)(F)F)nc1 ZINC000884955234 657390394 /nfs/dbraw/zinc/39/03/94/657390394.db2.gz RKDIIAVSZNFMEI-NWDGAFQWSA-N 1 0 379.404 1.928 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)CC[C@H]1[NH3+] ZINC000884990759 657397429 /nfs/dbraw/zinc/39/74/29/657397429.db2.gz LGPZMNFUQMXXKP-JOYOIKCWSA-N 1 0 375.803 1.753 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(S(N)(=O)=O)oc3Cl)C2)CC1 ZINC000935086114 657400015 /nfs/dbraw/zinc/40/00/15/657400015.db2.gz GOWKRJHDCOPMQT-NSHDSACASA-N 1 0 375.878 1.384 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(Br)cn3)C[C@@H]21 ZINC000885023680 657407309 /nfs/dbraw/zinc/40/73/09/657407309.db2.gz DJMAPHLZOPFGJJ-LEWSCRJBSA-N 1 0 381.274 1.046 20 0 GDADRO CC(C)[C@@H](CNS(=O)(=O)C[C@H]1CCCC(C)(C)O1)N1CC[NH+](C)CC1 ZINC000885033618 657411492 /nfs/dbraw/zinc/41/14/92/657411492.db2.gz YPTSPJVHIWBJEW-IAGOWNOFSA-N 1 0 375.579 1.526 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1Br ZINC000885041001 657413024 /nfs/dbraw/zinc/41/30/24/657413024.db2.gz QWLAVDQYMNBOMT-UHFFFAOYSA-N 1 0 395.319 1.656 20 0 GDADRO C[NH+](C)[C@]1(CNS(=O)(=O)Cc2ccc(-n3cccn3)cc2)CCSC1 ZINC000885042599 657413525 /nfs/dbraw/zinc/41/35/25/657413525.db2.gz ULVCRYVUJLJTJU-KRWDZBQOSA-N 1 0 380.539 1.729 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000885101558 657419753 /nfs/dbraw/zinc/41/97/53/657419753.db2.gz BAHRUKZQPLNDRE-QGZVFWFLSA-N 1 0 394.313 1.794 20 0 GDADRO Cc1cc(Br)ccc1CS(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000885106129 657420640 /nfs/dbraw/zinc/42/06/40/657420640.db2.gz MEEMYKTWKKHATP-AWEZNQCLSA-N 1 0 377.304 1.244 20 0 GDADRO CCN(C(=O)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)[C@@H]1CC[NH2+]C1 ZINC000885108951 657421223 /nfs/dbraw/zinc/42/12/23/657421223.db2.gz CIGPZWRFTFZYRA-LLVKDONJSA-N 1 0 378.782 1.580 20 0 GDADRO Cn1cc(Br)c(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1=O ZINC000935449826 657434672 /nfs/dbraw/zinc/43/46/72/657434672.db2.gz XXNZLNATJNEKEL-UHFFFAOYSA-N 1 0 399.333 1.294 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCSC2(CCCCC2)C1 ZINC000885279345 657437916 /nfs/dbraw/zinc/43/79/16/657437916.db2.gz HLZYIFSCIAUUKK-CYBMUJFWSA-N 1 0 375.485 1.626 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cnn3cccc(Br)c23)C1 ZINC000935681268 657467062 /nfs/dbraw/zinc/46/70/62/657467062.db2.gz UAWNLCVIIXQTSF-MRXNPFEDSA-N 1 0 381.274 1.626 20 0 GDADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H](CO)C[NH+]1CCCC1 ZINC000935983927 657535163 /nfs/dbraw/zinc/53/51/63/657535163.db2.gz FVGLUGCYPNPMIO-TZMCWYRMSA-N 1 0 396.285 1.448 20 0 GDADRO Cc1csc(Cl)c1C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC000964629521 657579937 /nfs/dbraw/zinc/57/99/37/657579937.db2.gz WYVHOZWTOBPNMV-LPWJVIDDSA-N 1 0 385.917 1.352 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)n1cc(Br)cn1 ZINC000885888087 657584707 /nfs/dbraw/zinc/58/47/07/657584707.db2.gz BEEKXLUUFVZDCC-IUODEOHRSA-N 1 0 385.306 1.966 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2ccccc2OCC(F)F)CC1 ZINC000885977161 657589278 /nfs/dbraw/zinc/58/92/78/657589278.db2.gz FUCGUDWAWNWNKO-UHFFFAOYSA-N 1 0 376.469 1.929 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886229123 657626823 /nfs/dbraw/zinc/62/68/23/657626823.db2.gz LHANJMQCPWERLB-BFHYXJOUSA-N 1 0 391.921 1.224 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000886247180 657629570 /nfs/dbraw/zinc/62/95/70/657629570.db2.gz JQXKKAIYOPMGIO-XGBSXSJOSA-N 1 0 397.313 1.836 20 0 GDADRO Cc1nc(Cl)sc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000996834799 657630476 /nfs/dbraw/zinc/63/04/76/657630476.db2.gz BOMVPVNNNGDWPK-RNJOBUHISA-N 1 0 382.917 1.918 20 0 GDADRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2scnc2Cl)CC[N@@H+]1C ZINC000997013533 657631852 /nfs/dbraw/zinc/63/18/52/657631852.db2.gz PNKZEJRMNOMCLZ-KVSVUVNWSA-N 1 0 382.917 1.998 20 0 GDADRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncc(Cl)s2)CC[N@@H+]1C ZINC000997014216 657631960 /nfs/dbraw/zinc/63/19/60/657631960.db2.gz VRJCLTDFMBCMFG-KVSVUVNWSA-N 1 0 382.917 1.998 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncc(Cl)s2)C1 ZINC000998628587 657653036 /nfs/dbraw/zinc/65/30/36/657653036.db2.gz AVPCOHFMGVPCDT-RNJOBUHISA-N 1 0 382.917 2.000 20 0 GDADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2nc(Cl)cs2)C3)CC1 ZINC000999571628 657662409 /nfs/dbraw/zinc/66/24/09/657662409.db2.gz DYNMJUGGIWSTKD-AGIUHOORSA-N 1 0 382.917 2.000 20 0 GDADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(Cl)n1)C2)C1CC1 ZINC001000373103 657670373 /nfs/dbraw/zinc/67/03/73/657670373.db2.gz UHWGYMNHPRRTLZ-UVLXDEKHSA-N 1 0 382.917 1.998 20 0 GDADRO C[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1ccc(Br)cn1 ZINC000886698640 657681770 /nfs/dbraw/zinc/68/17/70/657681770.db2.gz KFSGKGSQGDEZQZ-SNVBAGLBSA-N 1 0 377.246 1.479 20 0 GDADRO C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1ccc(Br)nc1 ZINC000886698978 657682258 /nfs/dbraw/zinc/68/22/58/657682258.db2.gz QVVPQYYCEMDPEJ-JTQLQIEISA-N 1 0 377.246 1.479 20 0 GDADRO COCCOc1ccc(S(=O)(=O)NCC[C@H](C)[NH3+])cc1Br ZINC000886882113 657714962 /nfs/dbraw/zinc/71/49/62/657714962.db2.gz FMRGAMJHYANGJK-JTQLQIEISA-N 1 0 381.292 1.490 20 0 GDADRO COCCOc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1Br ZINC000886885265 657716679 /nfs/dbraw/zinc/71/66/79/657716679.db2.gz NLIZMMGQQFKCEC-CYBMUJFWSA-N 1 0 393.303 1.490 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc1Br ZINC000886886404 657717484 /nfs/dbraw/zinc/71/74/84/657717484.db2.gz GSBCLLBQQJGSSY-VHSXEESVSA-N 1 0 381.292 1.488 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000886890236 657718856 /nfs/dbraw/zinc/71/88/56/657718856.db2.gz BBHCPMCVNYDETA-GFCCVEGCSA-N 1 0 379.404 1.351 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000886890437 657719721 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O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891858573 658278242 /nfs/dbraw/zinc/27/82/42/658278242.db2.gz RMLBEQZTDZQARP-ZFWWWQNUSA-N 1 0 376.258 1.891 20 0 GDADRO C[C@H]1C[C@H](NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c2ccsc2S1(=O)=O ZINC000891909000 658281295 /nfs/dbraw/zinc/28/12/95/658281295.db2.gz IBTTUEHWNQSSHB-NHCYSSNCSA-N 1 0 393.481 1.899 20 0 GDADRO CN1CCN(C(=O)NCc2cc(Br)ccc2F)CC[N@H+](C)CC1 ZINC000891964917 658286775 /nfs/dbraw/zinc/28/67/75/658286775.db2.gz WEWDMFGLPVHXKJ-UHFFFAOYSA-N 1 0 387.297 1.977 20 0 GDADRO O=C(NCCSCCC(F)(F)F)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000892108975 658296176 /nfs/dbraw/zinc/29/61/76/658296176.db2.gz XRMHOLBXSYYLDN-SNVBAGLBSA-N 1 0 396.401 1.807 20 0 GDADRO Cc1[nH+]ccc(N2CCN(c3ncccc3C(N)=O)CC2)c1Br ZINC000892134876 658298547 /nfs/dbraw/zinc/29/85/47/658298547.db2.gz LOOAZJVCBRZJNC-UHFFFAOYSA-N 1 0 376.258 1.973 20 0 GDADRO [NH3+]C1(CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CCOCC1 ZINC000892277903 658314984 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388.873 1.652 20 0 GDADRO [NH3+][C@H]1CN(C(=O)C(=O)N(Cc2cccs2)C2CC2)CC[C@@H]1C(F)(F)F ZINC000903720455 659377717 /nfs/dbraw/zinc/37/77/17/659377717.db2.gz MZPLJEWIIPGDKX-STQMWFEESA-N 1 0 375.416 1.977 20 0 GDADRO C[C@H](CN(C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1nccs1 ZINC000903750692 659378681 /nfs/dbraw/zinc/37/86/81/659378681.db2.gz QTLBMUFKQNJWRE-GMTAPVOTSA-N 1 0 378.420 1.443 20 0 GDADRO CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903755419 659379163 /nfs/dbraw/zinc/37/91/63/659379163.db2.gz GYMYADAQTNIQOI-ZMSDIMECSA-N 1 0 382.302 1.676 20 0 GDADRO O=C(C(=O)N1CCS[C@@H](C(F)(F)F)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000903766235 659379251 /nfs/dbraw/zinc/37/92/51/659379251.db2.gz ZNMKVJWOXWFXIJ-CHWSQXEVSA-N 1 0 379.448 1.483 20 0 GDADRO O=C(C(=O)N1CCS[C@H](C(F)(F)F)C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000903798568 659381145 /nfs/dbraw/zinc/38/11/45/659381145.db2.gz VCOJDQVLVGRCDY-AVGNSLFASA-N 1 0 379.448 1.341 20 0 GDADRO O=C(C(=O)N1CCS[C@H](C(F)(F)F)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000903799838 659381461 /nfs/dbraw/zinc/38/14/61/659381461.db2.gz ZFXKTUDVEYGKAR-OLZOCXBDSA-N 1 0 379.448 1.341 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903802793 659381797 /nfs/dbraw/zinc/38/17/97/659381797.db2.gz XQBXZUQPEGAGJO-GJZGRUSLSA-N 1 0 395.301 1.718 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903803127 659382017 /nfs/dbraw/zinc/38/20/17/659382017.db2.gz ZKSJSNSAJNFNQU-RHSMWYFYSA-N 1 0 395.301 1.705 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000903831865 659383088 /nfs/dbraw/zinc/38/30/88/659383088.db2.gz XTGUCTHSQOSLAV-LLVKDONJSA-N 1 0 392.244 1.976 20 0 GDADRO COC[C@H]1C[NH2+]CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000903875158 659385781 /nfs/dbraw/zinc/38/57/81/659385781.db2.gz CQKABUXJUXEPTM-CYBMUJFWSA-N 1 0 377.304 1.143 20 0 GDADRO OC[C@@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000903940097 659389739 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COCCOc1ccc(NC(=O)N(C)CCOCC[NH3+])cc1Br ZINC000904549626 659403743 /nfs/dbraw/zinc/40/37/43/659403743.db2.gz VEENQKAVBUZQRP-UHFFFAOYSA-N 1 0 390.278 1.913 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905006541 659416855 /nfs/dbraw/zinc/41/68/55/659416855.db2.gz IVULKBQBSJESPU-NHYWBVRUSA-N 1 0 386.315 1.809 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCSCC1 ZINC000905094432 659422735 /nfs/dbraw/zinc/42/27/35/659422735.db2.gz FHCHGPNHEFTKAX-CQSZACIVSA-N 1 0 399.365 1.995 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]C[C@H](O)CCC2(O)CCC2)CC1)C(F)(F)F ZINC000905109791 659424816 /nfs/dbraw/zinc/42/48/16/659424816.db2.gz MZUHKVJGPXHCAC-CYBMUJFWSA-N 1 0 388.452 1.194 20 0 GDADRO CO[C@H](CC[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C(F)(F)F ZINC000905227159 659434500 /nfs/dbraw/zinc/43/45/00/659434500.db2.gz CDYHJOQHZKVQFH-NWDGAFQWSA-N 1 0 390.468 1.545 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)CCC1(O)CCC1)c1ccc(Cl)cc1F ZINC000905248058 659437065 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GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000905515279 659461042 /nfs/dbraw/zinc/46/10/42/659461042.db2.gz CNLIBJDCRQVGQI-MNOVXSKESA-N 1 0 375.409 1.442 20 0 GDADRO CN1C[C@H](CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1=O ZINC000905525360 659461998 /nfs/dbraw/zinc/46/19/98/659461998.db2.gz NDEUCPNDBSFEBG-RISCZKNCSA-N 1 0 389.265 1.786 20 0 GDADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]C[C@]2(OC)CCSC2)CC1 ZINC000905547433 659463796 /nfs/dbraw/zinc/46/37/96/659463796.db2.gz WXJLLGYXEPDDPS-QZOMQWOVSA-N 1 0 375.531 1.334 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000905556269 659464798 /nfs/dbraw/zinc/46/47/98/659464798.db2.gz IAZXQESHNDJXMU-XKQJLSEDSA-N 1 0 391.917 1.572 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000905559445 659465395 /nfs/dbraw/zinc/46/53/95/659465395.db2.gz WOSNZOPVGZFGRL-KGLIPLIRSA-N 1 0 383.388 1.412 20 0 GDADRO Cn1nccc1[C@H](O)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000905622351 659470053 /nfs/dbraw/zinc/47/00/53/659470053.db2.gz AYJUYSMNVNXUFJ-CQSZACIVSA-N 1 0 388.287 1.280 20 0 GDADRO Cn1nnc2c1C[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000905632830 659470561 /nfs/dbraw/zinc/47/05/61/659470561.db2.gz IVQUTVIOMPCHTC-STQMWFEESA-N 1 0 381.274 1.464 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)N1CCCC1 ZINC000905665202 659472723 /nfs/dbraw/zinc/47/27/23/659472723.db2.gz RCWIFAZNWCWXQC-CYBMUJFWSA-N 1 0 397.324 1.748 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(Cn3nnn(-c4ccc(Br)cc4)c3=O)C2)C1 ZINC000905668940 659473665 /nfs/dbraw/zinc/47/36/65/659473665.db2.gz CNLRSRKZOGNQTN-INIZCTEOSA-N 1 0 393.289 1.177 20 0 GDADRO O=c1ccn(CCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)c(=O)[nH]1 ZINC000905701533 659477677 /nfs/dbraw/zinc/47/76/77/659477677.db2.gz FYMRVRXXUGUOLD-GFCCVEGCSA-N 1 0 388.251 1.675 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)ccn2)CC1 ZINC000906232694 659526259 /nfs/dbraw/zinc/52/62/59/659526259.db2.gz PSWBUAFSENRRQZ-GFCCVEGCSA-N 1 0 395.718 1.571 20 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CC[C@@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)cc(Br)c1 ZINC000911256329 660000583 /nfs/dbraw/zinc/00/05/83/660000583.db2.gz SCWYZVHEMOPJNB-OWYVNGRQSA-N 1 0 386.265 1.880 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911278173 660001584 /nfs/dbraw/zinc/00/15/84/660001584.db2.gz YJSVZLXJGXEMLS-IUODEOHRSA-N 1 0 395.301 1.623 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000911321663 660003526 /nfs/dbraw/zinc/00/35/26/660003526.db2.gz LSTUBQUJHUZPDA-DYVFJYSZSA-N 1 0 380.286 1.714 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911348018 660004433 /nfs/dbraw/zinc/00/44/33/660004433.db2.gz HFUKGRWGFYKAIE-ZLKJLUDKSA-N 1 0 381.274 1.374 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000911362211 660005140 /nfs/dbraw/zinc/00/51/40/660005140.db2.gz FIIZFHNZBJMUTG-VIFPVBQESA-N 1 0 378.782 1.567 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(Br)c1 ZINC000911361118 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ZINC000912114576 660027730 /nfs/dbraw/zinc/02/77/30/660027730.db2.gz VMNGLULYBRMUSJ-CYZMBNFOSA-N 1 0 377.388 1.606 20 0 GDADRO Nc1ccc(Br)cc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000912129477 660027848 /nfs/dbraw/zinc/02/78/48/660027848.db2.gz KHTMUPNCGKVDEL-UHFFFAOYSA-N 1 0 396.285 1.931 20 0 GDADRO CN(CCOc1ccccc1Cl)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC000912141106 660028005 /nfs/dbraw/zinc/02/80/05/660028005.db2.gz WOYAFMWQOWLERI-IOASZLSFSA-N 1 0 386.901 1.200 20 0 GDADRO C[C@@]1(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C[C@@H](O)C[NH2+]1 ZINC000912233226 660030009 /nfs/dbraw/zinc/03/00/09/660030009.db2.gz HBFVFIBQYUSBGW-PBHICJAKSA-N 1 0 386.279 1.391 20 0 GDADRO CCN(C(=O)Cn1nc(Br)c(Br)n1)[C@H]1CC[N@H+](C)C1 ZINC000912306018 660032505 /nfs/dbraw/zinc/03/25/05/660032505.db2.gz FJWXIHAGUGJWIM-QMMMGPOBSA-N 1 0 395.099 1.356 20 0 GDADRO C[C@@H](CC(=O)N1CC([NH+]2CCCC2)C1)NS(=O)(=O)c1cccnc1Cl ZINC000912325421 660032910 /nfs/dbraw/zinc/03/29/10/660032910.db2.gz 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ZINC000913278912 660075057 /nfs/dbraw/zinc/07/50/57/660075057.db2.gz MSROCUDZSZIOTJ-IAGOWNOFSA-N 1 0 382.302 1.870 20 0 GDADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)C[C@@]2(C)C1 ZINC000913284500 660075060 /nfs/dbraw/zinc/07/50/60/660075060.db2.gz OLQIKVHYUKQKSL-HZPDHXFCSA-N 1 0 389.880 1.540 20 0 GDADRO C[NH+]1C[C@]2(C)CN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@@]2(C)C1 ZINC000913294914 660075225 /nfs/dbraw/zinc/07/52/25/660075225.db2.gz PXNWSAKAGCYGFH-HZPDHXFCSA-N 1 0 384.274 1.572 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC000913292943 660075285 /nfs/dbraw/zinc/07/52/85/660075285.db2.gz GMRHJRKRAWUNDE-IAGOWNOFSA-N 1 0 385.917 1.662 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000913427997 660079095 /nfs/dbraw/zinc/07/90/95/660079095.db2.gz QWWUZTSMWOURRK-JTQLQIEISA-N 1 0 392.244 1.897 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000913426354 660079170 /nfs/dbraw/zinc/07/91/70/660079170.db2.gz PVZUILXGEPTMJM-HYVNUMGLSA-N 1 0 378.314 1.697 20 0 GDADRO CN1CCN(C(=O)c2cc(Br)ccc2OC(F)F)C[C@@H]1CO ZINC000913541485 660085590 /nfs/dbraw/zinc/08/55/90/660085590.db2.gz NKGVCUSGTFTJQP-SNVBAGLBSA-N 1 0 379.201 1.799 20 0 GDADRO CCOC(=O)N[C@H](CNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)CC(C)C ZINC000913914733 660104411 /nfs/dbraw/zinc/10/44/11/660104411.db2.gz ZKKKAZKIWJCDCV-RDJZCZTQSA-N 1 0 375.535 1.553 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cscc2C(F)F)CC1 ZINC000913991765 660109212 /nfs/dbraw/zinc/10/92/12/660109212.db2.gz DGYFLGHSTVPOJJ-UHFFFAOYSA-N 1 0 395.497 1.764 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1F ZINC000914072343 660114168 /nfs/dbraw/zinc/11/41/68/660114168.db2.gz LUAVKMBEVNEVJV-LLVKDONJSA-N 1 0 378.441 1.439 20 0 GDADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000914081475 660114651 /nfs/dbraw/zinc/11/46/51/660114651.db2.gz XELFUGKOIVZPEN-HUUCEWRRSA-N 1 0 375.535 1.647 20 0 GDADRO COc1ncc(S(=O)(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000914087639 660115009 /nfs/dbraw/zinc/11/50/09/660115009.db2.gz NSFNHFRJLJXWBE-UHFFFAOYSA-N 1 0 385.515 1.133 20 0 GDADRO CO[C@]1(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCS(=O)(=O)C1 ZINC000914100177 660116350 /nfs/dbraw/zinc/11/63/50/660116350.db2.gz UIKAUBSGVGRZPH-RDJZCZTQSA-N 1 0 375.535 1.001 20 0 GDADRO COc1cc(F)c(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)cc1F ZINC000914224906 660128973 /nfs/dbraw/zinc/12/89/73/660128973.db2.gz XBVAEBSMKHBBLY-UHFFFAOYSA-N 1 0 377.457 1.278 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000144485982 677676649 /nfs/dbraw/zinc/67/66/49/677676649.db2.gz LBSRKOXSUHXSRR-BXUZGUMPSA-N 1 0 380.286 1.920 20 0 GDADRO CC1CC[NH+](CCNC(=O)c2cnn(C)c2I)CC1 ZINC000379124350 677677026 /nfs/dbraw/zinc/67/70/26/677677026.db2.gz QBTZQWNZCHAWQR-UHFFFAOYSA-N 1 0 376.242 1.486 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cc(Br)cnc3Cl)C[C@H]21 ZINC000384655695 677677263 /nfs/dbraw/zinc/67/72/63/677677263.db2.gz VCQIVNJSNNICMQ-JZYVYDRUSA-N 1 0 380.695 1.678 20 0 GDADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3c(Cl)cccc3Cl)C[C@H]2O)CC[N@@H+]1C ZINC001077024654 677680442 /nfs/dbraw/zinc/68/04/42/677680442.db2.gz JLXZLSQGHQIWNA-YLGOIMDESA-N 1 0 386.323 1.995 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3csc(Cl)n3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699187 677680706 /nfs/dbraw/zinc/68/07/06/677680706.db2.gz IKASBTOPEADTNL-GBJTYRQASA-N 1 0 386.949 1.842 20 0 GDADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164390734 718825673 /nfs/dbraw/zinc/82/56/73/718825673.db2.gz PXPPYXZGOMGADQ-PWSUYJOCSA-N 1 0 376.791 1.939 20 0 GDADRO Clc1nc2c(c(N3CCN4CC[NH2+]C[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164391441 718831550 /nfs/dbraw/zinc/83/15/50/718831550.db2.gz JMRAGRALUKCYGI-INIZCTEOSA-N 1 0 384.915 1.740 20 0 GDADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164405856 718838773 /nfs/dbraw/zinc/83/87/73/718838773.db2.gz QDCPOTHESUQGDF-ZDUSSCGKSA-N 1 0 380.830 1.831 20 0 GDADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164400023 718843862 /nfs/dbraw/zinc/84/38/62/718843862.db2.gz NQHBMPMEIVORCX-GFCCVEGCSA-N 1 0 375.807 1.466 20 0 GDADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164405144 718853298 /nfs/dbraw/zinc/85/32/98/718853298.db2.gz LAKXDUJSPIRUJX-MLGOLLRUSA-N 1 0 381.814 1.755 20 0 GDADRO CCOC(=O)c1cnc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)nc1Cl ZINC001164402660 718861337 /nfs/dbraw/zinc/86/13/37/718861337.db2.gz KPVSHZFOHBBTNE-ZYHUDNBSSA-N 1 0 390.818 1.666 20 0 GDADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164405469 718862361 /nfs/dbraw/zinc/86/23/61/718862361.db2.gz SHJWOULWFXTTNG-JQWIXIFHSA-N 1 0 375.803 1.881 20 0 GDADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001164449414 718999318 /nfs/dbraw/zinc/99/93/18/718999318.db2.gz NBFHLYDFFGFMOB-WRSAYESZSA-N 1 0 394.882 1.933 20 0 GDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(C(N)=O)c(Cl)n1 ZINC001164617058 719012440 /nfs/dbraw/zinc/01/24/40/719012440.db2.gz LVGJSVHKPILTHA-LSJOCFKGSA-N 1 0 388.802 1.109 20 0 GDADRO CCOC(=O)c1cncnc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164616210 719020734 /nfs/dbraw/zinc/02/07/34/719020734.db2.gz KSZZULIXLHMUSG-UHFFFAOYSA-N 1 0 390.484 1.897 20 0 GDADRO CN1CCN(c2nccc(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)n2)CC1 ZINC001164619770 719048778 /nfs/dbraw/zinc/04/87/78/719048778.db2.gz DTYMUIMZYYYDQO-KNQAVFIVSA-N 1 0 378.524 1.812 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(CN2CCCC2)nc2sc(C)c(C)c21 ZINC001164629439 719135602 /nfs/dbraw/zinc/13/56/02/719135602.db2.gz AXYFDHGDASFVHY-CQSZACIVSA-N 1 0 389.525 1.855 20 0 GDADRO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c21 ZINC001164669063 719370414 /nfs/dbraw/zinc/37/04/14/719370414.db2.gz PPHWTEOBZYWMKS-HUUCEWRRSA-N 1 0 381.436 1.578 20 0 GDADRO C[N@@H+]1CCO[C@@H]2CN(c3ncc(C(=O)Nc4nncs4)cc3Cl)C[C@@H]21 ZINC001164668207 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DQUUNDLNTJTKAJ-WTANOLMUSA-N 1 0 385.472 1.206 20 0 GDADRO Cc1cc(NC[C@H]2CCCN(C(=O)[C@]3(C)CCOC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571265980 945527279 /nfs/dbraw/zinc/52/72/79/945527279.db2.gz MGCKIHVDCPCJMG-AUUYWEPGSA-N 1 0 385.472 1.069 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000820907037 945586361 /nfs/dbraw/zinc/58/63/61/945586361.db2.gz ADZQOHRQVHWILI-AWEZNQCLSA-N 1 0 390.492 1.344 20 0 GDADRO O=C(N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@]12C[C@H]1COC2 ZINC001571268192 945590021 /nfs/dbraw/zinc/59/00/21/945590021.db2.gz CEYJTOPDHMHFRG-DOXZYTNZSA-N 1 0 386.431 1.123 20 0 GDADRO Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)sc1C ZINC001571271568 945644613 /nfs/dbraw/zinc/64/46/13/945644613.db2.gz DPAPWYZQXRHVCU-HAQNSBGRSA-N 1 0 386.485 1.566 20 0 GDADRO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C)sn1 ZINC001571271686 945647994 /nfs/dbraw/zinc/64/79/94/945647994.db2.gz HESWZFLBJCZIBK-QMTHXVAHSA-N 1 0 386.485 1.600 20 0 GDADRO Cc1cc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C)sn1 ZINC001571271684 945648016 /nfs/dbraw/zinc/64/80/16/945648016.db2.gz HESWZFLBJCZIBK-HZMBPMFUSA-N 1 0 386.485 1.600 20 0 GDADRO CCc1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[nH]n1 ZINC001571271756 945649621 /nfs/dbraw/zinc/64/96/21/945649621.db2.gz IVVWYSZADHPCDC-GFCCVEGCSA-N 1 0 386.485 1.608 20 0 GDADRO CC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821199143 945654431 /nfs/dbraw/zinc/65/44/31/945654431.db2.gz ZPLAVTCINKCBQF-HUUCEWRRSA-N 1 0 392.529 1.921 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)sc1C ZINC001571271959 945654661 /nfs/dbraw/zinc/65/46/61/945654661.db2.gz NBZPUGRTJZVYSD-ZDUSSCGKSA-N 1 0 386.485 1.663 20 0 GDADRO Cc1[nH]nc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1C ZINC001571272355 945660201 /nfs/dbraw/zinc/66/02/01/945660201.db2.gz SPHFLHBHJCDSFK-HAQNSBGRSA-N 1 0 386.485 1.566 20 0 GDADRO CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC001571274132 945693123 /nfs/dbraw/zinc/69/31/23/945693123.db2.gz CBGYCSWOXRUNSG-LLVKDONJSA-N 1 0 386.909 1.919 20 0 GDADRO CCc1nc(CN2CCC[C@H]([NH2+]C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000821509693 945712051 /nfs/dbraw/zinc/71/20/51/945712051.db2.gz LLGOHOMODBXGCC-HOTGVXAUSA-N 1 0 398.471 1.100 20 0 GDADRO CN(C(=O)CC1OCCCO1)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571275902 945717679 /nfs/dbraw/zinc/71/76/79/945717679.db2.gz FFPMEZZPJUEYQD-MRXNPFEDSA-N 1 0 386.456 1.053 20 0 GDADRO O=C(c1cc(F)c[nH]1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571277258 945740880 /nfs/dbraw/zinc/74/08/80/945740880.db2.gz NVJSGLCAUXVJAZ-CYBMUJFWSA-N 1 0 387.394 1.867 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCO2)C1 ZINC001571278493 945752876 /nfs/dbraw/zinc/75/28/76/945752876.db2.gz OGJSPKXPBGODEO-APWZRJJASA-N 1 0 386.456 1.135 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)c1ccc(F)cn1 ZINC001571279865 945790307 /nfs/dbraw/zinc/79/03/07/945790307.db2.gz YCKUJGLTYNTSKU-ZYHUDNBSSA-N 1 0 387.444 1.855 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](OCC2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001571281756 945814879 /nfs/dbraw/zinc/81/48/79/945814879.db2.gz NFIBMTVIYJLEFA-HNNXBMFYSA-N 1 0 387.488 1.546 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)on1 ZINC001571281995 945822810 /nfs/dbraw/zinc/82/28/10/945822810.db2.gz QVAIEJSXXWPWRZ-PWSUYJOCSA-N 1 0 387.469 1.723 20 0 GDADRO C[C@@H]1[C@H](C(=O)NC2CC(CNc3cccc(F)c3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571282056 945828380 /nfs/dbraw/zinc/82/83/80/945828380.db2.gz RQWZORDEZBXAPE-BLYZHGLHSA-N 1 0 387.463 1.653 20 0 GDADRO O=C(c1ncccc1F)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571282162 945830077 /nfs/dbraw/zinc/83/00/77/945830077.db2.gz FLGMAMQYISBHHS-LLVKDONJSA-N 1 0 387.444 1.857 20 0 GDADRO CC1(C)CO[C@H](C[NH2+]C2CCC(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001571282469 945844919 /nfs/dbraw/zinc/84/49/19/945844919.db2.gz ZRUBLZXFGYQOSP-NRXISQOPSA-N 1 0 387.488 1.641 20 0 GDADRO O=C(c1cncc(F)c1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571282619 945854117 /nfs/dbraw/zinc/85/41/17/945854117.db2.gz LYFVVROXRPNQMR-ZDUSSCGKSA-N 1 0 387.444 1.857 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571282943 945868862 /nfs/dbraw/zinc/86/88/62/945868862.db2.gz WIOBRQKVSPTRLH-JOCQHMNTSA-N 1 0 387.463 1.939 20 0 GDADRO CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC2(CCOCC2)C1 ZINC001571283929 945895018 /nfs/dbraw/zinc/89/50/18/945895018.db2.gz LEBWYWVAMYJOAK-HNNXBMFYSA-N 1 0 387.488 1.596 20 0 GDADRO CCOC1CC(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001571284706 945904209 /nfs/dbraw/zinc/90/42/09/945904209.db2.gz UGGUJDQVQVTOLV-FGZQJIAISA-N 1 0 387.488 1.498 20 0 GDADRO C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571286432 945947888 /nfs/dbraw/zinc/94/78/88/945947888.db2.gz HPLNNZFVAPRNQU-NOZJJQNGSA-N 1 0 388.432 1.108 20 0 GDADRO O=C(N[C@@H]1CC12CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2)[C@H]1CC1(F)F ZINC001571286968 945965291 /nfs/dbraw/zinc/96/52/91/945965291.db2.gz WWTBLDCAEFVFEZ-HUUCEWRRSA-N 1 0 388.422 1.993 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@@H]1CCCOC1 ZINC001571287622 945975225 /nfs/dbraw/zinc/97/52/25/945975225.db2.gz GGVZKUSWYJSEMW-XNRPHZJLSA-N 1 0 388.447 1.417 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287845 945980930 /nfs/dbraw/zinc/98/09/30/945980930.db2.gz JGRLCDYXMVDMTI-CZUORRHYSA-N 1 0 388.447 1.513 20 0 GDADRO CO[C@@H](C)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571288284 945986844 /nfs/dbraw/zinc/98/68/44/945986844.db2.gz NHGZLSUWRUNMTF-DJJJIMSYSA-N 1 0 388.447 1.465 20 0 GDADRO CC1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOCC1 ZINC001571288898 945992295 /nfs/dbraw/zinc/99/22/95/945992295.db2.gz UEZOGUHCKOAOMW-AWEZNQCLSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(C[C@H]1CCOC1)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288761 945992546 /nfs/dbraw/zinc/99/25/46/945992546.db2.gz SVXHUPYJIHJUGK-WLYUNCDWSA-N 1 0 388.447 1.417 20 0 GDADRO CO[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001571289252 945997954 /nfs/dbraw/zinc/99/79/54/945997954.db2.gz YFCIJCBPLPGNJD-SSKCKEOISA-N 1 0 388.447 1.367 20 0 GDADRO C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001571289320 946001380 /nfs/dbraw/zinc/00/13/80/946001380.db2.gz ZPSKDCMDIIKAPX-CXAGYDPISA-N 1 0 388.447 1.465 20 0 GDADRO Cc1nonc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289882 946019742 /nfs/dbraw/zinc/01/97/42/946019742.db2.gz OTNCORTWOWXUKJ-NSHDSACASA-N 1 0 388.457 1.262 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnon2)CC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571290093 946027771 /nfs/dbraw/zinc/02/77/71/946027771.db2.gz VDCRMTGDFKGYFO-GHMZBOCLSA-N 1 0 388.457 1.199 20 0 GDADRO Cc1ccc(OCC[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822263636 946037167 /nfs/dbraw/zinc/03/71/67/946037167.db2.gz WGHFZFDSHURIGE-UHFFFAOYSA-N 1 0 387.465 1.617 20 0 GDADRO CC[C@H](C(=O)N1CCCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001571294539 946139126 /nfs/dbraw/zinc/13/91/26/946139126.db2.gz IOMUPUIYDIEHLV-QGZVFWFLSA-N 1 0 389.479 1.380 20 0 GDADRO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2Cc2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1C ZINC001571294718 946143005 /nfs/dbraw/zinc/14/30/05/946143005.db2.gz LGKFVCRIRXTHFE-VNHYZAJKSA-N 1 0 389.529 1.301 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)CC(C)C ZINC001573478745 946150890 /nfs/dbraw/zinc/15/08/90/946150890.db2.gz YCBXMOLBPICXLM-SUMWQHHRSA-N 1 0 387.488 1.012 20 0 GDADRO CS[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001571297927 946200467 /nfs/dbraw/zinc/20/04/67/946200467.db2.gz DOHJISVYTBNUDY-BNOWGMLFSA-N 1 0 390.488 1.648 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001571298551 946222044 /nfs/dbraw/zinc/22/20/44/946222044.db2.gz ASYHXGATLNYHHX-UGSOOPFHSA-N 1 0 390.513 1.683 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571298965 946234944 /nfs/dbraw/zinc/23/49/44/946234944.db2.gz MPQUSOJQLQJEHB-HRCADAONSA-N 1 0 390.451 1.204 20 0 GDADRO Cc1nsc(N[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1-c1nn[nH]n1 ZINC001571299151 946240072 /nfs/dbraw/zinc/24/00/72/946240072.db2.gz JEQFKBFHYVFMOV-GFCCVEGCSA-N 1 0 390.517 1.519 20 0 GDADRO C[C@H]1COCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571299319 946246598 /nfs/dbraw/zinc/24/65/98/946246598.db2.gz KLHRTLADISXJBC-WFASDCNBSA-N 1 0 390.513 1.681 20 0 GDADRO O=C([C@@H]1CCc2cccnc21)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571299532 946253932 /nfs/dbraw/zinc/25/39/32/946253932.db2.gz SZDJEBCAKQYFRT-UKRRQHHQSA-N 1 0 390.451 1.069 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cncnc1C1CC1 ZINC001571299709 946258612 /nfs/dbraw/zinc/25/86/12/946258612.db2.gz ZKHZZTWQXVXWSA-INIZCTEOSA-N 1 0 390.451 1.538 20 0 GDADRO Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccncc2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571299767 946262423 /nfs/dbraw/zinc/26/24/23/946262423.db2.gz UHIRPJWJQSXRAW-GASCZTMLSA-N 1 0 390.451 1.767 20 0 GDADRO Cc1cc(NC[C@H]2CCN(C(=O)C3(C(F)F)CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571301746 946282428 /nfs/dbraw/zinc/28/24/28/946282428.db2.gz BWEYRIWJFIHVSZ-GFCCVEGCSA-N 1 0 391.426 1.688 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-c4nn[nH]n4)c3Br)C[C@@H]2C1 ZINC001571301867 946285700 /nfs/dbraw/zinc/28/57/00/946285700.db2.gz GJIQHOMWJBBFHW-MNOVXSKESA-N 1 0 391.273 1.653 20 0 GDADRO Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2occ3c2CCC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001571303214 946328812 /nfs/dbraw/zinc/32/88/12/946328812.db2.gz JWUSOQHFWQNGJD-KBPBESRZSA-N 1 0 391.435 1.755 20 0 GDADRO Cc1cncc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)c1 ZINC001571306073 946388298 /nfs/dbraw/zinc/38/82/98/946388298.db2.gz PAHXLNWKDWALEH-DNVCBOLYSA-N 1 0 391.479 1.749 20 0 GDADRO Cc1cnccc1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C ZINC001571306631 946404672 /nfs/dbraw/zinc/40/46/72/946404672.db2.gz YYCSDFLJFQRKGW-BEFAXECRSA-N 1 0 391.479 1.892 20 0 GDADRO Cc1cnccc1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571306574 946404835 /nfs/dbraw/zinc/40/48/35/946404835.db2.gz XVIPZYKEUYTOQF-GOSISDBHSA-N 1 0 391.479 1.893 20 0 GDADRO C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCN(C(=O)c2cnccn2)CC1 ZINC001571310503 946472933 /nfs/dbraw/zinc/47/29/33/946472933.db2.gz HSIUGOGIMBUEIG-CQSZACIVSA-N 1 0 392.467 1.687 20 0 GDADRO c1cc(-c2nnc(CN3CC[C@H]([NH+]4CCCCC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823737684 946473039 /nfs/dbraw/zinc/47/30/39/946473039.db2.gz IGPUMMATOFWXRI-INIZCTEOSA-N 1 0 380.456 1.977 20 0 GDADRO CO[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)C1C=CC=CC=C1 ZINC001571311300 946484883 /nfs/dbraw/zinc/48/48/83/946484883.db2.gz VSODOYHHKUXFMJ-RTBURBONSA-N 1 0 392.463 1.481 20 0 GDADRO C[C@@H]1CN(C(=O)c2cncnc2)CC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571313724 946530569 /nfs/dbraw/zinc/53/05/69/946530569.db2.gz UTHYSAYDGYZSII-RHSMWYFYSA-N 1 0 392.467 1.545 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571314056 946538941 /nfs/dbraw/zinc/53/89/41/946538941.db2.gz ZGBHJFKHXUWTJC-ZBFHGGJFSA-N 1 0 392.467 1.218 20 0 GDADRO Cc1ccc(CC(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001571314724 946543094 /nfs/dbraw/zinc/54/30/94/946543094.db2.gz BHUJLGGESWKENE-MRXNPFEDSA-N 1 0 392.467 1.341 20 0 GDADRO Cc1cc(C)nc(C(=O)N2CC[C@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571315651 946557406 /nfs/dbraw/zinc/55/74/06/946557406.db2.gz NDMWBGUNVBGSDR-OAHLLOKOSA-N 1 0 392.467 1.872 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)[nH]n1 ZINC001571315784 946559101 /nfs/dbraw/zinc/55/91/01/946559101.db2.gz OBFAQKUTHYJRIX-QZTJIDSGSA-N 1 0 392.467 1.777 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315851 946561236 /nfs/dbraw/zinc/56/12/36/946561236.db2.gz PTHUIILPEUIRMK-ACJLOTCBSA-N 1 0 392.467 1.279 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@H](C)[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001571315860 946561890 /nfs/dbraw/zinc/56/18/90/946561890.db2.gz PUKCKFWURRICJV-XJKSGUPXSA-N 1 0 392.467 1.136 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571316161 946569041 /nfs/dbraw/zinc/56/90/41/946569041.db2.gz VFKSWDSJWCEZHL-ADLMAVQZSA-N 1 0 392.467 1.576 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3cc4c([nH]3)CCCC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316255 946572142 /nfs/dbraw/zinc/57/21/42/946572142.db2.gz XOVJNIHNJJSGDX-CQSZACIVSA-N 1 0 392.467 1.526 20 0 GDADRO Cc1ccncc1C[NH+]1CC2(C1)CCN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CC2 ZINC001571316369 946574476 /nfs/dbraw/zinc/57/44/76/946574476.db2.gz AXLSAJMUNGHVKC-UHFFFAOYSA-N 1 0 392.467 1.636 20 0 GDADRO Cn1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2-c2nn[nH]n2)c1 ZINC001571316565 946582029 /nfs/dbraw/zinc/58/20/29/946582029.db2.gz GRTAUHVLVRJDCZ-MQVJKMGUSA-N 1 0 392.467 1.526 20 0 GDADRO Cc1cnccc1CC(=O)N(C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571316653 946585114 /nfs/dbraw/zinc/58/51/14/946585114.db2.gz JGIGXUWGNBAJBB-UHFFFAOYSA-N 1 0 392.467 1.635 20 0 GDADRO O=C(Cn1cccn1)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571316956 946592541 /nfs/dbraw/zinc/59/25/41/946592541.db2.gz QLVROQAFLFSBSO-PXNSSMCTSA-N 1 0 392.467 1.234 20 0 GDADRO Cn1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ccccc2-c2nn[nH]n2)C3)cn1 ZINC001571317003 946595723 /nfs/dbraw/zinc/59/57/23/946595723.db2.gz RPPRMZDRCVBESD-JXFKEZNVSA-N 1 0 392.467 1.385 20 0 GDADRO O=C(CCc1ncccn1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317048 946598772 /nfs/dbraw/zinc/59/87/72/946598772.db2.gz TXAVNGJQBTZVIR-INIZCTEOSA-N 1 0 392.467 1.228 20 0 GDADRO Cc1nsc(N2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)c1-c1nn[nH]n1 ZINC001571317624 946616062 /nfs/dbraw/zinc/61/60/62/946616062.db2.gz OSHWPVJIAQTQLI-AWEZNQCLSA-N 1 0 392.533 1.257 20 0 GDADRO CC1CC(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317684 946619192 /nfs/dbraw/zinc/61/91/92/946619192.db2.gz QUIKIKCCKLWBMK-UHFFFAOYSA-N 1 0 392.529 1.606 20 0 GDADRO C[C@@H](CN1CCOCC1)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824420510 946700349 /nfs/dbraw/zinc/70/03/49/946700349.db2.gz LQYLKZCJJOLWOH-INIZCTEOSA-N 1 0 385.516 1.141 20 0 GDADRO C[C@H](CNC(=O)Nc1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1)[NH+](C)C ZINC000824419636 946700952 /nfs/dbraw/zinc/70/09/52/946700952.db2.gz AXQGZGGFBYXRHO-SNVBAGLBSA-N 1 0 389.851 1.777 20 0 GDADRO CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573540633 946781623 /nfs/dbraw/zinc/78/16/23/946781623.db2.gz IQTINJKBESTZQR-CXAGYDPISA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599911 946852482 /nfs/dbraw/zinc/85/24/82/946852482.db2.gz URZHEGAVVWNPLS-XJKSGUPXSA-N 1 0 394.501 1.006 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824613932 946865377 /nfs/dbraw/zinc/86/53/77/946865377.db2.gz YNHCOXGRFWESBE-ODXCJYRJSA-N 1 0 391.435 1.772 20 0 GDADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000824728692 946915373 /nfs/dbraw/zinc/91/53/73/946915373.db2.gz GQFQIRNSFOXYNF-PBHICJAKSA-N 1 0 384.484 1.824 20 0 GDADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825066253 947062240 /nfs/dbraw/zinc/06/22/40/947062240.db2.gz AMIYLWCTNKHJJV-GJZGRUSLSA-N 1 0 385.516 1.724 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000825341668 947159221 /nfs/dbraw/zinc/15/92/21/947159221.db2.gz HGWAYAUHTSLXKJ-LBPRGKRZSA-N 1 0 396.492 1.861 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573592210 947328544 /nfs/dbraw/zinc/32/85/44/947328544.db2.gz BBAQPACHNAUONQ-QWHCGFSZSA-N 1 0 386.485 1.419 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573594870 947410330 /nfs/dbraw/zinc/41/03/30/947410330.db2.gz DCWLFSMWMSHPKS-DOMZBBRYSA-N 1 0 392.479 1.597 20 0 GDADRO C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCO1 ZINC001573595150 947414820 /nfs/dbraw/zinc/41/48/20/947414820.db2.gz FTNHUKPFGJGTHF-QAPCUYQASA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCC1 ZINC001573595505 947421359 /nfs/dbraw/zinc/42/13/59/947421359.db2.gz GMLHJMVXULEYBK-AAEUAGOBSA-N 1 0 378.502 1.273 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573598294 947442230 /nfs/dbraw/zinc/44/22/30/947442230.db2.gz PQYAMLAVEGFATN-WMLDXEAASA-N 1 0 380.456 1.357 20 0 GDADRO C[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccn1 ZINC001573602630 947471622 /nfs/dbraw/zinc/47/16/22/947471622.db2.gz GEBGGDRLIZCWDF-ZDUSSCGKSA-N 1 0 386.435 1.402 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCCO1 ZINC001573603346 947484287 /nfs/dbraw/zinc/48/42/87/947484287.db2.gz KPQNSWBIFFVZSH-CXAGYDPISA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(C)C ZINC001573603793 947497079 /nfs/dbraw/zinc/49/70/79/947497079.db2.gz JWDAPRWSACLETP-LBPRGKRZSA-N 1 0 380.518 1.521 20 0 GDADRO COCCOC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826161100 947507508 /nfs/dbraw/zinc/50/75/08/947507508.db2.gz UFJXTFFTAXUNNS-HNNXBMFYSA-N 1 0 397.483 1.752 20 0 GDADRO C[C@H](C(=O)N(C)CCOCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C1CCC1 ZINC001573605755 947534743 /nfs/dbraw/zinc/53/47/43/947534743.db2.gz ZISRGKXOMSMOML-AWEZNQCLSA-N 1 0 387.488 1.609 20 0 GDADRO C[C@H]([C@H](C)C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573607167 947540696 /nfs/dbraw/zinc/54/06/96/947540696.db2.gz GIGYDFPQGBAGKE-UONOGXRCSA-N 1 0 389.504 1.235 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573619737 947668928 /nfs/dbraw/zinc/66/89/28/947668928.db2.gz XNKUJYUKPUSORI-KBXCAEBGSA-N 1 0 377.452 1.756 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C ZINC001573367474 947760430 /nfs/dbraw/zinc/76/04/30/947760430.db2.gz DAYCNZGRUJHZQD-WBMJQRKESA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573373316 947790614 /nfs/dbraw/zinc/79/06/14/947790614.db2.gz HTIYOALAOJJYKH-HNNXBMFYSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC001573374115 947803911 /nfs/dbraw/zinc/80/39/11/947803911.db2.gz MNORZMUSTVWOHO-KSSFIOAISA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001573374155 947807111 /nfs/dbraw/zinc/80/71/11/947807111.db2.gz NADCVJJOKKGXJT-LRDDRELGSA-N 1 0 385.472 1.400 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573639738 947848980 /nfs/dbraw/zinc/84/89/80/947848980.db2.gz BYSWJVQAHCCYNU-GDBMZVCRSA-N 1 0 384.488 1.539 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573378111 947855032 /nfs/dbraw/zinc/85/50/32/947855032.db2.gz VYCPTRXPTVGCNL-OLZOCXBDSA-N 1 0 376.436 1.748 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC1 ZINC001573641738 947857535 /nfs/dbraw/zinc/85/75/35/947857535.db2.gz NAMTYJNJXGJFCF-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO CC(=O)CCCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573380905 947865274 /nfs/dbraw/zinc/86/52/74/947865274.db2.gz JSYWNHLZYQHOGF-UHFFFAOYSA-N 1 0 376.486 1.672 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C ZINC001573383146 947889669 /nfs/dbraw/zinc/88/96/69/947889669.db2.gz OFDBAJXYJZLXDV-TZMCWYRMSA-N 1 0 390.513 1.872 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573384168 947899793 /nfs/dbraw/zinc/89/97/93/947899793.db2.gz IHONWVJEVCTCNJ-KBMXLJTQSA-N 1 0 383.456 1.555 20 0 GDADRO C[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccn1 ZINC001573652642 947944330 /nfs/dbraw/zinc/94/43/30/947944330.db2.gz FSNSFLMGOHFDQS-RISCZKNCSA-N 1 0 386.485 1.370 20 0 GDADRO Cc1onc(CC(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1-c1nn[nH]n1 ZINC000826343544 947992311 /nfs/dbraw/zinc/99/23/11/947992311.db2.gz FSQHXAGXPXFSSB-GFCCVEGCSA-N 1 0 383.412 1.061 20 0 GDADRO C[C@@H](C(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573664256 948050847 /nfs/dbraw/zinc/05/08/47/948050847.db2.gz SNMFWWQRFBZYGI-VLIAUNLRSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573664354 948052615 /nfs/dbraw/zinc/05/26/15/948052615.db2.gz UHEXPAVIKBZOHE-IYXRBSQSSA-N 1 0 385.497 1.975 20 0 GDADRO Cc1onc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1-c1nn[nH]n1 ZINC000826348337 948071114 /nfs/dbraw/zinc/07/11/14/948071114.db2.gz HVOCABFMACDZLB-UHFFFAOYSA-N 1 0 382.428 1.096 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573670341 948102163 /nfs/dbraw/zinc/10/21/63/948102163.db2.gz AYVKKARVASQFHA-KDOFPFPSSA-N 1 0 377.452 1.756 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnn(C)c1 ZINC001573672206 948109505 /nfs/dbraw/zinc/10/95/05/948109505.db2.gz IENFEVIORQDZRU-DGCLKSJQSA-N 1 0 386.485 1.156 20 0 GDADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCOc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826359593 948115079 /nfs/dbraw/zinc/11/50/79/948115079.db2.gz LMOJYERGLPRXDR-SJLPKXTDSA-N 1 0 383.456 1.567 20 0 GDADRO Cn1cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360277 948119692 /nfs/dbraw/zinc/11/96/92/948119692.db2.gz DQTKOQGTDKABHA-MRXNPFEDSA-N 1 0 380.456 1.497 20 0 GDADRO C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)n1cccn1 ZINC001573678441 948150776 /nfs/dbraw/zinc/15/07/76/948150776.db2.gz DXKIFKZWUZTECV-GUYCJALGSA-N 1 0 380.456 1.309 20 0 GDADRO CC(=O)N1C[C@@H](C)OC2(CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573426447 948155934 /nfs/dbraw/zinc/15/59/34/948155934.db2.gz LMHBFIZMXUTFGH-CYBMUJFWSA-N 1 0 388.447 1.608 20 0 GDADRO C[C@H](C(=O)NC1CN(Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+]1CCCCCC1 ZINC001573679264 948160453 /nfs/dbraw/zinc/16/04/53/948160453.db2.gz KKJLNCYDJLUVQR-CYBMUJFWSA-N 1 0 389.529 1.493 20 0 GDADRO NC(=O)CC[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826390989 948198897 /nfs/dbraw/zinc/19/88/97/948198897.db2.gz STDGQKIIPIYZOT-RHSMWYFYSA-N 1 0 397.483 1.340 20 0 GDADRO O=C(C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)NC1CCCCC1 ZINC000826412076 948250051 /nfs/dbraw/zinc/25/00/51/948250051.db2.gz AMCSUSMYFSRYIN-UHFFFAOYSA-N 1 0 397.527 1.870 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCCC1 ZINC001573694467 948295479 /nfs/dbraw/zinc/29/54/79/948295479.db2.gz VWBHQIIMWDXJEP-BLLLJJGKSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC001573695193 948303882 /nfs/dbraw/zinc/30/38/82/948303882.db2.gz XEIMTYIUHCJLBG-MLGOLLRUSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573696150 948318742 /nfs/dbraw/zinc/31/87/42/948318742.db2.gz LONSHXYIDWKIJA-CWTRNNRKSA-N 1 0 388.447 1.105 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573703796 948359552 /nfs/dbraw/zinc/35/95/52/948359552.db2.gz MOGHIVGKOVMLHH-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@@H](C3OCCO3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476564 948380961 /nfs/dbraw/zinc/38/09/61/948380961.db2.gz KLGPLYFKHBLAQV-WBVHZDCISA-N 1 0 398.467 1.447 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000826504590 948423533 /nfs/dbraw/zinc/42/35/33/948423533.db2.gz ZGVGIAVTKHFOMM-KRWDZBQOSA-N 1 0 395.467 1.578 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573713675 948465215 /nfs/dbraw/zinc/46/52/15/948465215.db2.gz AUSDSXJRBHRVKJ-LBPRGKRZSA-N 1 0 386.435 1.091 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573713932 948467315 /nfs/dbraw/zinc/46/73/15/948467315.db2.gz CIBHTESVTPWFPP-LBPRGKRZSA-N 1 0 386.435 1.091 20 0 GDADRO C[C@H](C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573714364 948472280 /nfs/dbraw/zinc/47/22/80/948472280.db2.gz GQMRQTOTZLOWBV-UONOGXRCSA-N 1 0 381.440 1.991 20 0 GDADRO C[C@H](C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573717450 948507732 /nfs/dbraw/zinc/50/77/32/948507732.db2.gz MTXZQDGBVCXPEQ-UONOGXRCSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCCO1 ZINC001573726370 948550276 /nfs/dbraw/zinc/55/02/76/948550276.db2.gz IUKDWIDRTYRWNW-OXXUSNJHSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573729100 948566191 /nfs/dbraw/zinc/56/61/91/948566191.db2.gz GNWUWVOCWVKPPF-BFYDXBDKSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1CCCO1 ZINC001573729992 948574148 /nfs/dbraw/zinc/57/41/48/948574148.db2.gz XNCMCPBFDPGGSD-XPCVCDNBSA-N 1 0 390.513 1.728 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573739777 948622515 /nfs/dbraw/zinc/62/25/15/948622515.db2.gz HPEPGTNMQKBVIL-LIRZEXBASA-N 1 0 392.467 1.546 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573748516 948696371 /nfs/dbraw/zinc/69/63/71/948696371.db2.gz VAAWDXIRASMJCJ-BFYDXBDKSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCO1 ZINC001573749324 948699627 /nfs/dbraw/zinc/69/96/27/948699627.db2.gz YGTMHFMDDVXCGC-MOIQIXESSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573751850 948706990 /nfs/dbraw/zinc/70/69/90/948706990.db2.gz FUHIJPVZXMTHAU-KCPJHIHWSA-N 1 0 384.419 1.200 20 0 GDADRO CC(C)[C@H](F)C(=O)NCC1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574074802 948741147 /nfs/dbraw/zinc/74/11/47/948741147.db2.gz ZBUHXHZIRNUNJD-INORYPFCSA-N 1 0 378.427 1.984 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001575223304 948763302 /nfs/dbraw/zinc/76/33/02/948763302.db2.gz NKLWARYSGXODPO-VXGBXAGGSA-N 1 0 391.426 1.958 20 0 GDADRO C[C@H](CNC(=O)CCc1ccnn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574916608 948783189 /nfs/dbraw/zinc/78/31/89/948783189.db2.gz FKMJCJGFZJYORJ-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO CC(F)(F)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001575224666 948787223 /nfs/dbraw/zinc/78/72/23/948787223.db2.gz PUKBEUHBJAFVHP-UKRRQHHQSA-N 1 0 376.411 1.945 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnccn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574917110 948807333 /nfs/dbraw/zinc/80/73/33/948807333.db2.gz RGHCCLIYCSBCBD-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccon1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574917118 948808344 /nfs/dbraw/zinc/80/83/44/948808344.db2.gz RKSVOPHRINYIFK-NSHDSACASA-N 1 0 375.458 1.486 20 0 GDADRO CC(F)(F)CC(=O)NC[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575229106 948838404 /nfs/dbraw/zinc/83/84/04/948838404.db2.gz BIHJRICWUDDWIN-LLVKDONJSA-N 1 0 382.390 1.989 20 0 GDADRO CC(C)[C@H](F)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574081919 948842977 /nfs/dbraw/zinc/84/29/77/948842977.db2.gz XUIVHGYNWVPDPY-ZENOOKHLSA-N 1 0 378.427 1.984 20 0 GDADRO CC(F)(F)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575229491 948844656 /nfs/dbraw/zinc/84/46/56/948844656.db2.gz KEVGLQROSZHPDL-GFCCVEGCSA-N 1 0 382.390 1.989 20 0 GDADRO CC(F)(F)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575229963 948863466 /nfs/dbraw/zinc/86/34/66/948863466.db2.gz XGSFDUJPTFUIJM-LBPRGKRZSA-N 1 0 382.390 1.989 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574684423 948868127 /nfs/dbraw/zinc/86/81/27/948868127.db2.gz FZVUXNGQBQDHED-LLVKDONJSA-N 1 0 392.895 1.564 20 0 GDADRO CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574685000 948898993 /nfs/dbraw/zinc/89/89/93/948898993.db2.gz QROBORGBJHCZMQ-LLVKDONJSA-N 1 0 380.884 1.562 20 0 GDADRO CC(C)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001574088052 948906324 /nfs/dbraw/zinc/90/63/24/948906324.db2.gz ACYDAIFPHOVUTQ-JLOCXQCDSA-N 1 0 384.459 1.844 20 0 GDADRO C[C@@H](CNC(=O)CCn1cc(Cl)cn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574923068 948931079 /nfs/dbraw/zinc/93/10/79/948931079.db2.gz CFHYOUYRGLYXFY-LBPRGKRZSA-N 1 0 388.863 1.401 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433434 948956944 /nfs/dbraw/zinc/95/69/44/948956944.db2.gz NKQBNZVAHNVRMS-GFCCVEGCSA-N 1 0 383.460 1.373 20 0 GDADRO CC(C)(C(=O)NC1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C1)[NH+]1CCCC1 ZINC001573772736 948964600 /nfs/dbraw/zinc/96/46/00/948964600.db2.gz CVTPYAGJYXAGOR-UHFFFAOYSA-N 1 0 387.463 1.181 20 0 GDADRO CC(F)(F)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001575241593 948974438 /nfs/dbraw/zinc/97/44/38/948974438.db2.gz DFTOINMBIDXTCG-YABSGUDNSA-N 1 0 382.440 1.910 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001574926445 949001173 /nfs/dbraw/zinc/00/11/73/949001173.db2.gz QLPAGIFBWPRSKI-LBPRGKRZSA-N 1 0 375.452 1.431 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)nc2)CCC1)[NH+]1CCCC1 ZINC001573774320 949010358 /nfs/dbraw/zinc/01/03/58/949010358.db2.gz MMNIQOVQTSLJQD-UHFFFAOYSA-N 1 0 384.488 1.587 20 0 GDADRO CC(C)[C@H]1C[C@@H](C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCO1 ZINC001574091386 949010232 /nfs/dbraw/zinc/01/02/32/949010232.db2.gz KUIORKVGLSBPBX-XJKSGUPXSA-N 1 0 385.472 1.196 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1ncccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574694144 949071059 /nfs/dbraw/zinc/07/10/59/949071059.db2.gz LYQGNUHFRLRHNV-HOCLYGCPSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575248290 949071601 /nfs/dbraw/zinc/07/16/01/949071601.db2.gz QJZKICOWLYPRNJ-FZKQIMNGSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)c1cnc[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574695053 949101472 /nfs/dbraw/zinc/10/14/72/949101472.db2.gz YYZMOVTZDSCTCJ-CYBMUJFWSA-N 1 0 382.472 1.504 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCC1 ZINC001574694990 949101561 /nfs/dbraw/zinc/10/15/61/949101561.db2.gz YICHQQYQFHGQDM-XJKSGUPXSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@H](CNC(=O)COCc1ccncc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574930788 949109267 /nfs/dbraw/zinc/10/92/67/949109267.db2.gz MONKSZYFOHAOTP-GFCCVEGCSA-N 1 0 387.469 1.134 20 0 GDADRO CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573781702 949110711 /nfs/dbraw/zinc/11/07/11/949110711.db2.gz MGJQWTJQFKHUMD-OKILXGFUSA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccccc1-c1nn[nH]n1 ZINC001574093562 949111072 /nfs/dbraw/zinc/11/10/72/949111072.db2.gz SSVUSKIGCBDKSO-NVXWUHKLSA-N 1 0 384.484 1.967 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001575250831 949117838 /nfs/dbraw/zinc/11/78/38/949117838.db2.gz HRMSWARKGYHXSC-ZJUUUORDSA-N 1 0 383.378 1.721 20 0 GDADRO C[C@H](CNC(=O)COCc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574931439 949118238 /nfs/dbraw/zinc/11/82/38/949118238.db2.gz PGCVKNBHHUWZBR-GFCCVEGCSA-N 1 0 387.469 1.134 20 0 GDADRO CC(C)c1ocnc1C(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574446381 949126976 /nfs/dbraw/zinc/12/69/76/949126976.db2.gz NTESPWRAIFCVAH-SMDDNHRTSA-N 1 0 382.428 1.368 20 0 GDADRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001574094417 949136675 /nfs/dbraw/zinc/13/66/75/949136675.db2.gz VSWDCMUWTBZREQ-WBVHZDCISA-N 1 0 390.513 1.750 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574934720 949176921 /nfs/dbraw/zinc/17/69/21/949176921.db2.gz PFLJTXZIIFJGRI-CYBMUJFWSA-N 1 0 384.415 1.679 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)n1cccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574698276 949181981 /nfs/dbraw/zinc/18/19/81/949181981.db2.gz IPWOIOQOKLQSFD-STQMWFEESA-N 1 0 386.435 1.400 20 0 GDADRO C[C@@H](CNC(=O)COc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574934951 949186698 /nfs/dbraw/zinc/18/66/98/949186698.db2.gz VWMUUKLOBNBVAA-LBPRGKRZSA-N 1 0 385.403 1.074 20 0 GDADRO C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001575254481 949202054 /nfs/dbraw/zinc/20/20/54/949202054.db2.gz WHJRDKQZFMAXMJ-KBPBESRZSA-N 1 0 386.504 1.831 20 0 GDADRO C[C@H](NC(=O)[C@H](C)n1cccn1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575254711 949212733 /nfs/dbraw/zinc/21/27/33/949212733.db2.gz WYVXJWSFTVWYAA-KBPBESRZSA-N 1 0 380.456 1.261 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574938755 949254103 /nfs/dbraw/zinc/25/41/03/949254103.db2.gz ZZHIBWKBLCIYSP-JTQLQIEISA-N 1 0 389.822 1.635 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1ncccc1-c1nn[nH]n1 ZINC001574700266 949255499 /nfs/dbraw/zinc/25/54/99/949255499.db2.gz YOZSGWHDYGZGFE-CABCVRRESA-N 1 0 386.504 1.785 20 0 GDADRO CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573792649 949257647 /nfs/dbraw/zinc/25/76/47/949257647.db2.gz BXRUYGIPQUMLBM-YEORSEQZSA-N 1 0 388.447 1.605 20 0 GDADRO C[C@H](CNC(=O)Cc1cccc(F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574941889 949323081 /nfs/dbraw/zinc/32/30/81/949323081.db2.gz UWMBNMPODNITDB-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](NC(=O)C1CC(F)(F)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575259617 949333806 /nfs/dbraw/zinc/33/38/06/949333806.db2.gz PUMGBJLGTJLBFJ-LLVKDONJSA-N 1 0 376.411 1.849 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc2c(c1)CCO2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574942187 949337446 /nfs/dbraw/zinc/33/74/46/949337446.db2.gz XMFSZMWGLGTSKS-AWEZNQCLSA-N 1 0 392.463 1.639 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(F)CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574703819 949349813 /nfs/dbraw/zinc/34/98/13/949349813.db2.gz ZFLDHCSFQHODKK-APPDUMDISA-N 1 0 380.399 1.071 20 0 GDADRO CC(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574110134 949350477 /nfs/dbraw/zinc/35/04/77/949350477.db2.gz RCADUOXJDOWVRH-JSGCOSHPSA-N 1 0 378.502 1.680 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(F)CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574703820 949351372 /nfs/dbraw/zinc/35/13/72/949351372.db2.gz ZFLDHCSFQHODKK-DIFFPNOSSA-N 1 0 380.399 1.071 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC001574464349 949410396 /nfs/dbraw/zinc/41/03/96/949410396.db2.gz LWCCGUOKNRRZJO-ZIAGYGMSSA-N 1 0 395.471 1.541 20 0 GDADRO CC(C)n1cccc1C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001574464525 949415541 /nfs/dbraw/zinc/41/55/41/949415541.db2.gz KJJZPTWWMZKRGN-MKZZRHPPSA-N 1 0 392.467 1.756 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CC12CCOCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574705199 949416914 /nfs/dbraw/zinc/41/69/14/949416914.db2.gz SCHVJXCRIDGKNZ-RHSMWYFYSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575533536 949417234 /nfs/dbraw/zinc/41/72/34/949417234.db2.gz HAZQEFNDWDDMSK-YWZLYKJASA-N 1 0 384.484 1.622 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001574468056 949452709 /nfs/dbraw/zinc/45/27/09/949452709.db2.gz GLICDDZVEZIMIF-SHTZXODSSA-N 1 0 380.456 1.695 20 0 GDADRO C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574948412 949460835 /nfs/dbraw/zinc/46/08/35/949460835.db2.gz ISEWSRUFHRMAFG-LLVKDONJSA-N 1 0 386.485 1.297 20 0 GDADRO C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574948413 949463708 /nfs/dbraw/zinc/46/37/08/949463708.db2.gz ISEWSRUFHRMAFG-NSHDSACASA-N 1 0 386.485 1.297 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCc2ccccc21 ZINC001575536394 949471089 /nfs/dbraw/zinc/47/10/89/949471089.db2.gz IBPFFVDDXJBUJY-QVKFZJNVSA-N 1 0 389.463 1.601 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574707626 949471825 /nfs/dbraw/zinc/47/18/25/949471825.db2.gz PBYCURJVPQSSSG-GXTWGEPZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)Cn1cc(Cl)cn1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574949550 949497723 /nfs/dbraw/zinc/49/77/23/949497723.db2.gz XQZBCTPAZUGMGL-GFCCVEGCSA-N 1 0 388.863 1.353 20 0 GDADRO C[C@@H](NC(=O)CC1CCOCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575267670 949503042 /nfs/dbraw/zinc/50/30/42/949503042.db2.gz JHDBDPHYYCIYKL-CQSZACIVSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575872357 949541251 /nfs/dbraw/zinc/54/12/51/949541251.db2.gz IJRWVTFLRUNAQD-DZGCQCFKSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575872879 949562991 /nfs/dbraw/zinc/56/29/91/949562991.db2.gz LUZBRKOGICTAMO-KDOFPFPSSA-N 1 0 382.468 1.683 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574955839 949574382 /nfs/dbraw/zinc/57/43/82/949574382.db2.gz FUVZWWQDEQLYID-CXMBCZLWSA-N 1 0 388.447 1.415 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCCOC1 ZINC001573810959 949585383 /nfs/dbraw/zinc/58/53/83/949585383.db2.gz GAOUSNUMKVWUGB-IAGOWNOFSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCOC1 ZINC001573811016 949586465 /nfs/dbraw/zinc/58/64/65/949586465.db2.gz GRMORNGOLWUJAY-CJNGLKHVSA-N 1 0 390.463 1.663 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574713197 949598247 /nfs/dbraw/zinc/59/82/47/949598247.db2.gz WKFIUISZYZRBQW-BXUZGUMPSA-N 1 0 388.451 1.001 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001574476295 949598708 /nfs/dbraw/zinc/59/87/08/949598708.db2.gz FWDWEWGCKSDILS-MLGOLLRUSA-N 1 0 390.463 1.351 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cncc(F)c1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573811590 949603171 /nfs/dbraw/zinc/60/31/71/949603171.db2.gz MFVLVMSTYPBPAU-HNNXBMFYSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]CCOCC1CCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573811820 949609852 /nfs/dbraw/zinc/60/98/52/949609852.db2.gz NTLZAHAJVXGNAI-MRXNPFEDSA-N 1 0 389.504 1.746 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@@H]1CCOC1 ZINC001573812267 949618510 /nfs/dbraw/zinc/61/85/10/949618510.db2.gz RDXYWCVNWNPSEZ-DOTOQJQBSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cnsn1 ZINC001573812805 949623013 /nfs/dbraw/zinc/62/30/13/949623013.db2.gz UMDNAVFQPMPYRP-AWEZNQCLSA-N 1 0 386.485 1.653 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573813270 949629651 /nfs/dbraw/zinc/62/96/51/949629651.db2.gz XTAOLONBGWBIIU-ZDUSSCGKSA-N 1 0 381.431 1.974 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cc[nH]n1 ZINC001573813264 949629766 /nfs/dbraw/zinc/62/97/66/949629766.db2.gz XQAYSRUIFVYKSZ-MRXNPFEDSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574957780 949634181 /nfs/dbraw/zinc/63/41/81/949634181.db2.gz IGQPEFIWEXVCPT-ZSOFBXJNSA-N 1 0 377.452 1.578 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H](C)n1cccn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574714829 949636359 /nfs/dbraw/zinc/63/63/59/949636359.db2.gz GQGFKWOHSIECKU-CABCVRRESA-N 1 0 382.472 1.651 20 0 GDADRO C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575272135 949636236 /nfs/dbraw/zinc/63/62/36/949636236.db2.gz NYRSODBJEXGUMB-GJZGRUSLSA-N 1 0 386.504 1.833 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575547862 949642116 /nfs/dbraw/zinc/64/21/16/949642116.db2.gz HSLUNSNPKUJMSD-BEFAXECRSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575273267 949660603 /nfs/dbraw/zinc/66/06/03/949660603.db2.gz VEHMCXZJVMCBLR-RKDXNWHRSA-N 1 0 386.913 1.624 20 0 GDADRO C[C@H](CN(C)C(=O)CCC[NH+](C)C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574715720 949663588 /nfs/dbraw/zinc/66/35/88/949663588.db2.gz FPKXXSABXVNOQR-LLVKDONJSA-N 1 0 380.884 1.516 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574716375 949690220 /nfs/dbraw/zinc/69/02/20/949690220.db2.gz NSDNOTHVYXBEIM-HIFRSBDPSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574959819 949721152 /nfs/dbraw/zinc/72/11/52/949721152.db2.gz UQFJWZRCHRYFBX-LERXQTSPSA-N 1 0 384.419 1.127 20 0 GDADRO C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)CCOC1 ZINC001575557693 949726655 /nfs/dbraw/zinc/72/66/55/949726655.db2.gz LKLODSQJRHBNMB-MDYRTPRTSA-N 1 0 382.468 1.326 20 0 GDADRO C[C@@H](CN(C)C(=O)CC1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574717242 949729108 /nfs/dbraw/zinc/72/91/08/949729108.db2.gz OHRKKQQQEMLQCN-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576171003 949743535 /nfs/dbraw/zinc/74/35/35/949743535.db2.gz OMPKMCSVEZRCBU-DYVFJYSZSA-N 1 0 385.472 1.149 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cncc(-c2nn[nH]n2)n1 ZINC001576171475 949766868 /nfs/dbraw/zinc/76/68/68/949766868.db2.gz QZICDDHHQOXYOU-ZFWWWQNUSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@@H](CN(C)C(=O)CC1(O)CCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574718288 949772292 /nfs/dbraw/zinc/77/22/92/949772292.db2.gz ZRHZANOIJISKFE-LBPRGKRZSA-N 1 0 376.436 1.247 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574138995 949808160 /nfs/dbraw/zinc/80/81/60/949808160.db2.gz GYOCJECUTFCOFZ-KUHUBIRLSA-N 1 0 389.504 1.698 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574139196 949813932 /nfs/dbraw/zinc/81/39/32/949813932.db2.gz IUDRCQQUMYLRJM-AUUYWEPGSA-N 1 0 389.504 1.434 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ccon1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574721424 949817069 /nfs/dbraw/zinc/81/70/69/949817069.db2.gz LEYAXLBLMJKCKV-LBPRGKRZSA-N 1 0 387.419 1.563 20 0 GDADRO CC(C)C[C@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574139526 949819619 /nfs/dbraw/zinc/81/96/19/949819619.db2.gz KCQNXHUJVGRUMK-ZFWWWQNUSA-N 1 0 377.493 1.242 20 0 GDADRO CC(C)C[C@@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574139524 949821194 /nfs/dbraw/zinc/82/11/94/949821194.db2.gz KCQNXHUJVGRUMK-HIFRSBDPSA-N 1 0 377.493 1.242 20 0 GDADRO C[C@@H](CC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001574483739 949835126 /nfs/dbraw/zinc/83/51/26/949835126.db2.gz KORWMGQWURZSFS-WMLDXEAASA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)C[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001574140784 949839515 /nfs/dbraw/zinc/83/95/15/949839515.db2.gz QISDAAMKGMBGQY-BMGDILEWSA-N 1 0 386.500 1.600 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574723004 949852871 /nfs/dbraw/zinc/85/28/71/949852871.db2.gz ZKEHEEJHEPBNPJ-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574141798 949864032 /nfs/dbraw/zinc/86/40/32/949864032.db2.gz VNQDTXKAGUIDID-KUHUBIRLSA-N 1 0 389.504 1.434 20 0 GDADRO C[C@H]1CCN(C(=O)C(F)F)C[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576178212 949879449 /nfs/dbraw/zinc/87/94/49/949879449.db2.gz GLXOSJZSRHXFMG-GWCFXTLKSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1cncn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574724947 949883400 /nfs/dbraw/zinc/88/34/00/949883400.db2.gz MQOMPXVHULFUEZ-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](CC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001574484498 949883359 /nfs/dbraw/zinc/88/33/59/949883359.db2.gz HWPHYJRJUREJMU-GJZGRUSLSA-N 1 0 380.456 1.539 20 0 GDADRO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575565986 949895676 /nfs/dbraw/zinc/89/56/76/949895676.db2.gz ZICCGWXDNDAROP-XLIONFOSSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574725313 949899257 /nfs/dbraw/zinc/89/92/57/949899257.db2.gz RLMJUKIIEPRRMX-LBPRGKRZSA-N 1 0 375.452 1.749 20 0 GDADRO C[C@]1(C(=O)NC2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575569299 949913766 /nfs/dbraw/zinc/91/37/66/949913766.db2.gz HZVCXKOVCKQVMT-IBGZPJMESA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccncn2)[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576179443 949917847 /nfs/dbraw/zinc/91/78/47/949917847.db2.gz FYRFOFGOOPSRGZ-KDOFPFPSSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001576179583 949921862 /nfs/dbraw/zinc/92/18/62/949921862.db2.gz AXMPHNBEDMSOMA-OCCSQVGLSA-N 1 0 390.467 1.249 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2cccn2C)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575891109 949985132 /nfs/dbraw/zinc/98/51/32/949985132.db2.gz DYHHDBNTJAFSNA-WMLDXEAASA-N 1 0 379.468 1.988 20 0 GDADRO C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001575287052 949992624 /nfs/dbraw/zinc/99/26/24/949992624.db2.gz ZYVMZIKERQIFRW-RKDXNWHRSA-N 1 0 384.897 1.378 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C2CC2)CCOC1 ZINC001575573676 949996486 /nfs/dbraw/zinc/99/64/86/949996486.db2.gz OAFWNXQEMNUEFR-VQIMIIECSA-N 1 0 388.447 1.417 20 0 GDADRO CC(C)(C)CC(=O)NC1(CO)CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573834078 950011821 /nfs/dbraw/zinc/01/18/21/950011821.db2.gz FHWUQWKNIBIRQT-UHFFFAOYSA-N 1 0 386.500 1.746 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@H]1CCOC1 ZINC001574150226 950022753 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OBXSQLRQFNGMMR-NSHDSACASA-N 1 0 375.458 1.851 20 0 GDADRO CC(C)C[C@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574151216 950067349 /nfs/dbraw/zinc/06/73/49/950067349.db2.gz NSVBLUVRLNTTPP-HUUCEWRRSA-N 1 0 375.477 1.498 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CC(C)(C)O ZINC001574151409 950073151 /nfs/dbraw/zinc/07/31/51/950073151.db2.gz QSLFWSXXXOYFHB-LBPRGKRZSA-N 1 0 380.518 1.710 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CC1(O)CCC1 ZINC001574151433 950075179 /nfs/dbraw/zinc/07/51/79/950075179.db2.gz RBPBFIXOQKGUPD-QGZVFWFLSA-N 1 0 386.500 1.792 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575893465 950084060 /nfs/dbraw/zinc/08/40/60/950084060.db2.gz ACTRZPRMUVNORV-CJNGLKHVSA-N 1 0 380.456 1.383 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCOC1 ZINC001574151669 950090393 /nfs/dbraw/zinc/09/03/93/950090393.db2.gz XQWNEJYJNRSCLB-OLZOCXBDSA-N 1 0 378.502 1.585 20 0 GDADRO 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C[C@@H](CC(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574496447 950216397 /nfs/dbraw/zinc/21/63/97/950216397.db2.gz WAGCMTPXAMAKNB-STQMWFEESA-N 1 0 383.460 1.130 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575588007 950243848 /nfs/dbraw/zinc/24/38/48/950243848.db2.gz PDGSTWURHZPYTK-FZKQIMNGSA-N 1 0 390.513 1.683 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cnsn1 ZINC001575902464 950260941 /nfs/dbraw/zinc/26/09/41/950260941.db2.gz VHTRWLZLOOHSJQ-ZANVPECISA-N 1 0 388.432 1.250 20 0 GDADRO C[C@@]1(C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCCOC1 ZINC001575592554 950291067 /nfs/dbraw/zinc/29/10/67/950291067.db2.gz BTDJMOVTJUKFDP-LSTKMXGYSA-N 1 0 388.447 1.585 20 0 GDADRO C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)n1ccnc1 ZINC001574499138 950292469 /nfs/dbraw/zinc/29/24/69/950292469.db2.gz SFOUWZUXJMUYBX-LBPRGKRZSA-N 1 0 386.485 1.514 20 0 GDADRO 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C[C@@H](CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574502387 950374764 /nfs/dbraw/zinc/37/47/64/950374764.db2.gz MPMRGIHIOBPNGW-UONOGXRCSA-N 1 0 381.440 1.991 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1cncs1 ZINC001575909358 950397860 /nfs/dbraw/zinc/39/78/60/950397860.db2.gz YWHKKGYJWOPRDV-ZWNOBZJWSA-N 1 0 389.510 1.706 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575597473 950412706 /nfs/dbraw/zinc/41/27/06/950412706.db2.gz QISHVFPCAKJTOZ-HGQUKEQDSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCn1ccnc1 ZINC001575910577 950421105 /nfs/dbraw/zinc/42/11/05/950421105.db2.gz LWMQJDWYGUNNCJ-RHSMWYFYSA-N 1 0 380.456 1.233 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575597898 950423050 /nfs/dbraw/zinc/42/30/50/950423050.db2.gz ZSWINVRCAVUXER-PJIJBLCYSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1ccnc1 ZINC001574506024 950423675 /nfs/dbraw/zinc/42/36/75/950423675.db2.gz AANJMKFIIFOVGO-QWHCGFSZSA-N 1 0 386.435 1.448 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573860662 950426108 /nfs/dbraw/zinc/42/61/08/950426108.db2.gz LEGLEBNMRZJFNW-CZUORRHYSA-N 1 0 388.472 1.747 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(Cl)no1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574750661 950434179 /nfs/dbraw/zinc/43/41/79/950434179.db2.gz FRINMFFPYZTYAZ-MRVPVSSYSA-N 1 0 381.849 1.820 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC2CCC(Nc3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001576202858 950434628 /nfs/dbraw/zinc/43/46/28/950434628.db2.gz DEPKHHSLVJIOEF-NFOMZHRRSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H](CNc2ncc(-c3nn[nH]n3)cc2F)C2CC2)C1 ZINC001576204090 950454488 /nfs/dbraw/zinc/45/44/88/950454488.db2.gz LFDMEAPVTIEFIP-XHDPSFHLSA-N 1 0 388.451 1.049 20 0 GDADRO 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C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001576206017 950552717 /nfs/dbraw/zinc/55/27/17/950552717.db2.gz SQFJEKROPKRZJS-RKDXNWHRSA-N 1 0 384.897 1.235 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576206294 950565249 /nfs/dbraw/zinc/56/52/49/950565249.db2.gz WDCXUQWIGBBIFF-BBRMVZONSA-N 1 0 387.463 1.038 20 0 GDADRO CC(C)(C)OCC(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001573869401 950567410 /nfs/dbraw/zinc/56/74/10/950567410.db2.gz PEFWSRKMZZALBU-UHFFFAOYSA-N 1 0 390.463 1.902 20 0 GDADRO CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575615629 950571666 /nfs/dbraw/zinc/57/16/66/950571666.db2.gz DQVSPDQIUZEWOK-NSHDSACASA-N 1 0 392.529 1.567 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001573869580 950572644 /nfs/dbraw/zinc/57/26/44/950572644.db2.gz QRYXWLMDCIVSMO-INIZCTEOSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574999431 950578011 /nfs/dbraw/zinc/57/80/11/950578011.db2.gz JPPLWNLGIWJOIQ-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(Nc3ncc(-c4nn[nH]n4)cc3Cl)CC2)C1 ZINC001576206946 950580495 /nfs/dbraw/zinc/58/04/95/950580495.db2.gz ZTBSRKHUDCOCIZ-LLVKDONJSA-N 1 0 390.879 1.318 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)on1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574999456 950581152 /nfs/dbraw/zinc/58/11/52/950581152.db2.gz KELOHBKYIQTXFR-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576206968 950588784 /nfs/dbraw/zinc/58/87/84/950588784.db2.gz ZWZCXRJKOAFSTM-UONOGXRCSA-N 1 0 387.463 1.290 20 0 GDADRO CC(C)CCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574173429 950591918 /nfs/dbraw/zinc/59/19/18/950591918.db2.gz JDUPHRHKAIGEIB-HNNXBMFYSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573870502 950594222 /nfs/dbraw/zinc/59/42/22/950594222.db2.gz XENGBBJFOZIFAU-HIFRSBDPSA-N 1 0 387.488 1.586 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)no1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575000125 950596395 /nfs/dbraw/zinc/59/63/95/950596395.db2.gz PCEYGEGHPOYQSZ-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574513277 950600619 /nfs/dbraw/zinc/60/06/19/950600619.db2.gz MBRAZLBWFIDYRQ-ZIAGYGMSSA-N 1 0 382.472 1.388 20 0 GDADRO C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574513276 950601964 /nfs/dbraw/zinc/60/19/64/950601964.db2.gz MBRAZLBWFIDYRQ-UONOGXRCSA-N 1 0 382.472 1.388 20 0 GDADRO CC1CC[NH+](CC(=O)NCCN(C)c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC001576208247 950606243 /nfs/dbraw/zinc/60/62/43/950606243.db2.gz NUFJDKJUMHETDW-UHFFFAOYSA-N 1 0 375.452 1.290 20 0 GDADRO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(-c2nn[nH]n2)nc1 ZINC001576208034 950606673 /nfs/dbraw/zinc/60/66/73/950606673.db2.gz LFQKUDQNRJINGG-OAHLLOKOSA-N 1 0 386.504 1.325 20 0 GDADRO CC(C)CCC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574173889 950608763 /nfs/dbraw/zinc/60/87/63/950608763.db2.gz ORVDFZRMCRZCTR-FQEVSTJZSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccnc2ccnn21)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574758378 950609061 /nfs/dbraw/zinc/60/90/61/950609061.db2.gz BKZHIXPPQCPCPX-ZDUSSCGKSA-N 1 0 391.439 1.160 20 0 GDADRO CC1(C)C(C(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1(C)C ZINC001575619299 950616510 /nfs/dbraw/zinc/61/65/10/950616510.db2.gz OLXWENGHQALGDD-LBPRGKRZSA-N 1 0 385.472 1.005 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575001119 950622599 /nfs/dbraw/zinc/62/25/99/950622599.db2.gz SRXSEJDENCCEHH-JTQLQIEISA-N 1 0 388.382 1.502 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576209207 950623172 /nfs/dbraw/zinc/62/31/72/950623172.db2.gz YMKLLBPEJOGCJD-GASCZTMLSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCO1 ZINC001574515680 950628861 /nfs/dbraw/zinc/62/88/61/950628861.db2.gz DKCJAMQEMCHFMP-XDKFSHSGSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccns1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574759245 950630817 /nfs/dbraw/zinc/63/08/17/950630817.db2.gz AGTBEEUSDYRCMT-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1ccnc1 ZINC001574516383 950636430 /nfs/dbraw/zinc/63/64/30/950636430.db2.gz IARKLSIYHSWKKI-XYPHTWIQSA-N 1 0 380.456 1.451 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)C1CC1 ZINC001574516959 950642089 /nfs/dbraw/zinc/64/20/89/950642089.db2.gz JFDXICOMIGGZGH-GLCQIGPWSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574759979 950650941 /nfs/dbraw/zinc/65/09/41/950650941.db2.gz RBLINKNDCIHRTR-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575923466 950660319 /nfs/dbraw/zinc/66/03/19/950660319.db2.gz BPFXRIDHCXAMNO-HZMBPMFUSA-N 1 0 384.831 1.447 20 0 GDADRO C[C@H](Cn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CC[C@@H](C)C1)[NH+](C)C ZINC001576214142 950661332 /nfs/dbraw/zinc/66/13/32/950661332.db2.gz NKEPOPADFWUEHC-ZIAGYGMSSA-N 1 0 381.488 1.922 20 0 GDADRO CC1(C)CC(C(=O)N(CCO)CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575625364 950684306 /nfs/dbraw/zinc/68/43/06/950684306.db2.gz QRPCRABROPEUIW-UHFFFAOYSA-N 1 0 390.463 1.353 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573877772 950692316 /nfs/dbraw/zinc/69/23/16/950692316.db2.gz FQZCNTXRRCWXOG-GZBFAFLISA-N 1 0 385.472 1.005 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccsn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574761153 950693314 /nfs/dbraw/zinc/69/33/14/950693314.db2.gz RGHSGSORXNIJAT-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO CC(C)(C)c1cc(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)no1 ZINC001573879583 950728871 /nfs/dbraw/zinc/72/88/71/950728871.db2.gz HCXRUQZSCYZALY-UHFFFAOYSA-N 1 0 382.428 1.344 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(N(C)C)cc1 ZINC001575927113 950734553 /nfs/dbraw/zinc/73/45/53/950734553.db2.gz NMJUUAZXKPROCD-SUMWQHHRSA-N 1 0 392.467 1.465 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575927331 950739369 /nfs/dbraw/zinc/73/93/69/950739369.db2.gz PDMTZYLBGWQZCJ-SCZZXKLOSA-N 1 0 390.354 1.324 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927487 950744328 /nfs/dbraw/zinc/74/43/28/950744328.db2.gz PTLIRXNFBPPMMJ-SCZZXKLOSA-N 1 0 390.860 1.509 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cncs1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574764010 950745432 /nfs/dbraw/zinc/74/54/32/950745432.db2.gz OXTGLXDZRVTWRK-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnn2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574764478 950754434 /nfs/dbraw/zinc/75/44/34/950754434.db2.gz UEMLQMFQQOJGCR-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnns1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574764680 950756350 /nfs/dbraw/zinc/75/63/50/950756350.db2.gz WFQQOCBHBDHOEP-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cc1ccccc1F ZINC001575927860 950759407 /nfs/dbraw/zinc/75/94/07/950759407.db2.gz VIMHPAWLESYIDI-WBMJQRKESA-N 1 0 381.415 1.467 20 0 GDADRO C[C@@H](CN(C)C(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574764991 950769535 /nfs/dbraw/zinc/76/95/35/950769535.db2.gz BGGMPGURKDLVEK-QMMMGPOBSA-N 1 0 379.471 1.341 20 0 GDADRO CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573884025 950780659 /nfs/dbraw/zinc/78/06/59/950780659.db2.gz CWPCOVBJVCXYDZ-PHIMTYICSA-N 1 0 381.444 1.077 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1CCOCC1 ZINC001574521800 950785686 /nfs/dbraw/zinc/78/56/86/950785686.db2.gz HTMOWZHLLKQRQX-CHWSQXEVSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1cc[nH]n1 ZINC001574522147 950788639 /nfs/dbraw/zinc/78/86/39/950788639.db2.gz ISLISBZSWIKPCU-VXGBXAGGSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1ncc[nH]1 ZINC001574522813 950796630 /nfs/dbraw/zinc/79/66/30/950796630.db2.gz LCXYSUIBANLAMK-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO CC(C)(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)co1 ZINC001573885050 950813433 /nfs/dbraw/zinc/81/34/33/950813433.db2.gz NKUPEEQDXCKIAX-PHIMTYICSA-N 1 0 382.428 1.342 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574766581 950819555 /nfs/dbraw/zinc/81/95/55/950819555.db2.gz JPZJFDOELVUBNI-QMMMGPOBSA-N 1 0 378.343 1.182 20 0 GDADRO CC1(C)CC(C[NH2+]C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCCO2)C1 ZINC001575638416 950830365 /nfs/dbraw/zinc/83/03/65/950830365.db2.gz BWHQKNUSIYONGP-HNNXBMFYSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1cc[nH]n1 ZINC001574523954 950840109 /nfs/dbraw/zinc/84/01/09/950840109.db2.gz SLYUDALEOXUTQM-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CC(C)(C)O)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574523992 950846717 /nfs/dbraw/zinc/84/67/17/950846717.db2.gz SUWMWKDKCXORMM-NEPJUHHUSA-N 1 0 378.452 1.540 20 0 GDADRO CC(C)OCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574524173 950852392 /nfs/dbraw/zinc/85/23/92/950852392.db2.gz UIXBQIUVEADVRJ-OLZOCXBDSA-N 1 0 378.452 1.804 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574524192 950852600 /nfs/dbraw/zinc/85/26/00/950852600.db2.gz UTNGPNCIBLNUTE-NEPJUHHUSA-N 1 0 378.502 1.728 20 0 GDADRO C[C@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)C[NH+]1CCCC1 ZINC001575935043 950871596 /nfs/dbraw/zinc/87/15/96/950871596.db2.gz URAUUDSNCWDYGU-FZMZJTMJSA-N 1 0 390.879 1.412 20 0 GDADRO C[C@H](C[N@H+](C)C[C@@H](O)c1ccccc1F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767988 950881400 /nfs/dbraw/zinc/88/14/00/950881400.db2.gz SGVOPPNLJPEQIB-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO CC(C)c1ocnc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527659 950900621 /nfs/dbraw/zinc/90/06/21/950900621.db2.gz FNIOVIRGCUKFHT-VXGBXAGGSA-N 1 0 386.460 1.993 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccnn1C ZINC001574527726 950903037 /nfs/dbraw/zinc/90/30/37/950903037.db2.gz GNRWUVMLJDUBJC-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO CC1(C)C[C@H](NC(=O)c2cocn2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575641008 950911381 /nfs/dbraw/zinc/91/13/81/950911381.db2.gz NLKBMNCCDDPSST-GFCCVEGCSA-N 1 0 382.428 1.675 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnccn1 ZINC001574527843 950911731 /nfs/dbraw/zinc/91/17/31/950911731.db2.gz HYAWVEMKXOZHAZ-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO CC1(C)C[C@H](NC(=O)[C@@H]2CCOC2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575641355 950919230 /nfs/dbraw/zinc/91/92/30/950919230.db2.gz OHRYOSPISKFFGF-ZIAGYGMSSA-N 1 0 385.472 1.409 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ncccc1O ZINC001574527994 950920519 /nfs/dbraw/zinc/92/05/19/950920519.db2.gz JNFPVKQZSYWPFB-QWRGUYRKSA-N 1 0 387.469 1.716 20 0 GDADRO C[C@@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574771694 950936628 /nfs/dbraw/zinc/93/66/28/950936628.db2.gz JOTBGFVOZHGJCT-AWEZNQCLSA-N 1 0 389.504 1.984 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCn1cc(Cl)cn1 ZINC001574528579 950937808 /nfs/dbraw/zinc/93/78/08/950937808.db2.gz NNPKEHVYZIBLRV-MNOVXSKESA-N 1 0 391.867 1.231 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574528961 950943106 /nfs/dbraw/zinc/94/31/06/950943106.db2.gz OTEQUVCIMUKXLG-RYUDHWBXSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]CCC1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529010 950945889 /nfs/dbraw/zinc/94/58/89/950945889.db2.gz PBQLQMYGUFSBAU-QWHCGFSZSA-N 1 0 375.477 1.498 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1n[nH]cc1F ZINC001574529590 950954007 /nfs/dbraw/zinc/95/40/07/950954007.db2.gz RGPRRKKIPBNSTF-UWVGGRQHSA-N 1 0 390.398 1.555 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)cc(F)c1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574772444 950967482 /nfs/dbraw/zinc/96/74/82/950967482.db2.gz SSPUZYVSITXUOG-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H]1CN(C(=O)C2=COCCO2)CC[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576230290 950996999 /nfs/dbraw/zinc/99/69/99/950996999.db2.gz APBNBVCOLNJIRC-BBRMVZONSA-N 1 0 384.440 1.082 20 0 GDADRO CC(C)(CC(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O)C1CC1 ZINC001573900381 951002808 /nfs/dbraw/zinc/00/28/08/951002808.db2.gz YZOLMGKWHTYTCD-SJORKVTESA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CO1 ZINC001575939291 951005130 /nfs/dbraw/zinc/00/51/30/951005130.db2.gz POOXTSRUAIOYJI-DZGCQCFKSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575024810 951115403 /nfs/dbraw/zinc/11/54/03/951115403.db2.gz NAUCGTMWJYIUKX-ZDUSSCGKSA-N 1 0 380.456 1.236 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001575035036 951263744 /nfs/dbraw/zinc/26/37/44/951263744.db2.gz FWYSYCINZHJRNM-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575035131 951267573 /nfs/dbraw/zinc/26/75/73/951267573.db2.gz GLZIZJFPXITUDN-NSHDSACASA-N 1 0 390.398 1.236 20 0 GDADRO C[C@H](CNC(=O)c1ccn(C(F)F)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575035775 951284069 /nfs/dbraw/zinc/28/40/69/951284069.db2.gz LISVNHRYTQJJRI-SNVBAGLBSA-N 1 0 376.371 1.366 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575042437 951362200 /nfs/dbraw/zinc/36/22/00/951362200.db2.gz JMRGQMDDPQHAAO-LBPRGKRZSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575045560 951428370 /nfs/dbraw/zinc/42/83/70/951428370.db2.gz DDERSPYNNISUHV-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575045741 951433038 /nfs/dbraw/zinc/43/30/38/951433038.db2.gz GMJADUBQLTUINN-LBPRGKRZSA-N 1 0 381.444 1.049 20 0 GDADRO C[C@@H](CNC(=O)c1nc(Cl)cs1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575061964 951564149 /nfs/dbraw/zinc/56/41/49/951564149.db2.gz SDJWNDIDOLFYRE-MRVPVSSYSA-N 1 0 378.849 1.272 20 0 GDADRO C[C@H](CNC(=O)c1nsc2ccccc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575066358 951595365 /nfs/dbraw/zinc/59/53/65/951595365.db2.gz KMWKVBYNRIGCCI-SNVBAGLBSA-N 1 0 380.437 1.524 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077069 951660981 /nfs/dbraw/zinc/66/09/81/951660981.db2.gz BMUIQRODMJDCLE-TZMCWYRMSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(CO)ccc1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575077243 951664605 /nfs/dbraw/zinc/66/46/05/951664605.db2.gz BATHXKALNIMJPB-NSHDSACASA-N 1 0 387.419 1.077 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001575077404 951667600 /nfs/dbraw/zinc/66/76/00/951667600.db2.gz CKAFSXFDPDEVAZ-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077486 951670084 /nfs/dbraw/zinc/67/00/84/951670084.db2.gz FISUWSYEHNRDFL-KBPBESRZSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077645 951672939 /nfs/dbraw/zinc/67/29/39/951672939.db2.gz HONMHICCYILLTJ-ZIAGYGMSSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001575078602 951682829 /nfs/dbraw/zinc/68/28/29/951682829.db2.gz KZKHXDOPNUVYIW-RYUDHWBXSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575079345 951691086 /nfs/dbraw/zinc/69/10/86/951691086.db2.gz DBFWNAHFOHIKLD-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CCn1cccc1 ZINC001575079850 951698444 /nfs/dbraw/zinc/69/84/44/951698444.db2.gz HKJYFQLDUHGHIC-AWEZNQCLSA-N 1 0 385.447 1.834 20 0 GDADRO C[C@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080077 951702192 /nfs/dbraw/zinc/70/21/92/951702192.db2.gz ULVOPJVSTITAPO-XJKSGUPXSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC1CCOCC1 ZINC001575080156 951704007 /nfs/dbraw/zinc/70/40/07/951704007.db2.gz WHEFIFPHHSWKMD-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCOCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080190 951706055 /nfs/dbraw/zinc/70/60/55/951706055.db2.gz PLIZUVHSFLKHPS-KBPBESRZSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080252 951706288 /nfs/dbraw/zinc/70/62/88/951706288.db2.gz QOFBXGZSJRHYED-CYBMUJFWSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575080425 951708541 /nfs/dbraw/zinc/70/85/41/951708541.db2.gz LNQJGQLHZKLUGP-CJNGLKHVSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cccc(=O)[nH]1 ZINC001575080780 951716396 /nfs/dbraw/zinc/71/63/96/951716396.db2.gz ZMRNIUDMORWXGI-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)c1nccs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081216 951722870 /nfs/dbraw/zinc/72/28/70/951722870.db2.gz QAVOEUUIMBJNLM-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](CNC(=O)CCc1c[nH]cn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081461 951723826 /nfs/dbraw/zinc/72/38/26/951723826.db2.gz VANPAOCQMXMWBS-LBPRGKRZSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)COCC(F)F ZINC001575081674 951726197 /nfs/dbraw/zinc/72/61/97/951726197.db2.gz RITFRJCMCIQEDG-JTQLQIEISA-N 1 0 386.378 1.224 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C1(C)CCOCC1 ZINC001575088962 951743988 /nfs/dbraw/zinc/74/39/88/951743988.db2.gz DLCBUDSWLFTULX-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]cc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089586 951751462 /nfs/dbraw/zinc/75/14/62/951751462.db2.gz GVNHGTMUSVKDPW-SECBINFHSA-N 1 0 376.371 1.024 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001575090128 951756372 /nfs/dbraw/zinc/75/63/72/951756372.db2.gz JPJJLVBRSHUKSK-OJIVJNGMSA-N 1 0 388.497 1.195 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCc2cccnc21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090582 951761410 /nfs/dbraw/zinc/76/14/10/951761410.db2.gz KRSZNQDEOUTKLD-KDOFPFPSSA-N 1 0 391.479 1.834 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CC1CCOCC1 ZINC001575090555 951762627 /nfs/dbraw/zinc/76/26/27/951762627.db2.gz KKNVGEVOBJVLEG-ZDUSSCGKSA-N 1 0 390.463 1.759 20 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C[C@H](CNC(=O)Cn1cc(Cl)cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092269 951793083 /nfs/dbraw/zinc/79/30/83/951793083.db2.gz ZWIVZWFKJGXUBU-LBPRGKRZSA-N 1 0 388.863 1.259 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C[C@H](C)n1cccn1 ZINC001575092902 951794263 /nfs/dbraw/zinc/79/42/63/951794263.db2.gz FRTBKIKEDMQOPT-LSDHHAIUSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc(Cl)no1 ZINC001575092558 951794571 /nfs/dbraw/zinc/79/45/71/951794571.db2.gz DUKQERDJNBFVNT-SNVBAGLBSA-N 1 0 375.820 1.758 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575095119 951809560 /nfs/dbraw/zinc/80/95/60/951809560.db2.gz RWBGGAFNKSDMMW-LIRRHRJNSA-N 1 0 392.463 1.807 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098495 951823480 /nfs/dbraw/zinc/82/34/80/951823480.db2.gz DRPSVEFASKTZCZ-GFCCVEGCSA-N 1 0 388.501 1.861 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1ccon1 ZINC001575099018 951828404 /nfs/dbraw/zinc/82/84/04/951828404.db2.gz HDABEBHZKDWYMH-NSHDSACASA-N 1 0 375.458 1.486 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575099174 951829647 /nfs/dbraw/zinc/82/96/47/951829647.db2.gz IJBLNIKATNLULC-OLZOCXBDSA-N 1 0 378.502 1.824 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)no1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099319 951831564 /nfs/dbraw/zinc/83/15/64/951831564.db2.gz JZWDNLANSUTNJJ-JTQLQIEISA-N 1 0 387.469 1.949 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099434 951835884 /nfs/dbraw/zinc/83/58/84/951835884.db2.gz LWZOUFJXMPKLJG-JTQLQIEISA-N 1 0 386.485 1.684 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099613 951837895 /nfs/dbraw/zinc/83/78/95/951837895.db2.gz OBWOZWAXLDVQJF-JSGCOSHPSA-N 1 0 390.513 1.587 20 0 GDADRO C[C@H](CNC(=O)C(C)(C)c1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099913 951842841 /nfs/dbraw/zinc/84/28/41/951842841.db2.gz QDYXGQJOKYCTPZ-NSHDSACASA-N 1 0 388.501 1.471 20 0 GDADRO C[C@H](CNC(=O)c1cnns1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101338 951857771 /nfs/dbraw/zinc/85/77/71/951857771.db2.gz BRJIHZPYSGKWKH-VIFPVBQESA-N 1 0 376.421 1.013 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CC(C)(C)CO1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104479 951885913 /nfs/dbraw/zinc/88/59/13/951885913.db2.gz DIVCHUKIPUXLGD-WMLDXEAASA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1ccns1 ZINC001575104869 951887442 /nfs/dbraw/zinc/88/74/42/951887442.db2.gz FTXHAPCPJOTQGO-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CC1CCOCC1 ZINC001575105800 951898808 /nfs/dbraw/zinc/89/88/08/951898808.db2.gz NPKGZHKTMYQKEO-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575105836 951900135 /nfs/dbraw/zinc/90/01/35/951900135.db2.gz OLHIUUZKAYIACQ-GXTWGEPZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)C1(c2cccnc2)CC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106961 951909252 /nfs/dbraw/zinc/90/92/52/951909252.db2.gz WLPGUXZIXKINMX-HNNXBMFYSA-N 1 0 391.479 1.835 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106874 951909500 /nfs/dbraw/zinc/90/95/00/951909500.db2.gz VWNKBZRHWHXYJX-KBPBESRZSA-N 1 0 382.472 1.246 20 0 GDADRO C[C@@H](CNC(=O)CCc1nccn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106972 951909534 /nfs/dbraw/zinc/90/95/34/951909534.db2.gz WPJVEAPMWYFGLB-CQSZACIVSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1cnsn1)C1CC1 ZINC001575107053 951911657 /nfs/dbraw/zinc/91/16/57/951911657.db2.gz XZWUTJGHHCICSU-KRWDZBQOSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@H](CNC(=O)CCc1ccn(C)n1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107081 951913941 /nfs/dbraw/zinc/91/39/41/951913941.db2.gz YJABJNDJDCDFNU-AWEZNQCLSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1ccc2cccnn21 ZINC001575107618 951919831 /nfs/dbraw/zinc/91/98/31/951919831.db2.gz GOJRQVJHKRIZOW-AWEZNQCLSA-N 1 0 390.451 1.765 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001575107655 951921638 /nfs/dbraw/zinc/92/16/38/951921638.db2.gz HEZZGRLRUYXXBR-AWEZNQCLSA-N 1 0 382.472 1.800 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575109226 951928320 /nfs/dbraw/zinc/92/83/20/951928320.db2.gz PUEDUPJTEXRXMV-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001575116743 951973986 /nfs/dbraw/zinc/97/39/86/951973986.db2.gz HGWGVEHKRNRGOB-GFCCVEGCSA-N 1 0 385.476 1.302 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1noc2c1CCCC2 ZINC001575117017 951976548 /nfs/dbraw/zinc/97/65/48/951976548.db2.gz KFTDUBSXOYJYIU-NSHDSACASA-N 1 0 384.444 1.217 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001575131747 952087989 /nfs/dbraw/zinc/08/79/89/952087989.db2.gz AYBJHMABCNLMSX-UKRRQHHQSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575143617 952154756 /nfs/dbraw/zinc/15/47/56/952154756.db2.gz BOCLYIKOXKXGRZ-LJQANCHMSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCc2cccnc21 ZINC001575144728 952171161 /nfs/dbraw/zinc/17/11/61/952171161.db2.gz KVCCMNQCQUYASQ-DZGCQCFKSA-N 1 0 392.467 1.458 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575146382 952192321 /nfs/dbraw/zinc/19/23/21/952192321.db2.gz JUTNBNPHQZOVMJ-CYBMUJFWSA-N 1 0 380.456 1.394 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccc2nccnc21 ZINC001575146812 952197004 /nfs/dbraw/zinc/19/70/04/952197004.db2.gz OBNSAKCWQSEZCY-GFCCVEGCSA-N 1 0 389.423 1.199 20 0 GDADRO C[C@@H](CNc1ncccc1-c1nn[nH]n1)N(C)C(=O)CCCC[NH+]1CCCC1 ZINC001575168380 952343464 /nfs/dbraw/zinc/34/34/64/952343464.db2.gz MEHRDNZYGYYHRJ-HNNXBMFYSA-N 1 0 386.504 1.787 20 0 GDADRO C[C@H](CNc1snc(Cl)c1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575177134 952397140 /nfs/dbraw/zinc/39/71/40/952397140.db2.gz GSSQZLDRILLGPH-RKDXNWHRSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575188553 952448505 /nfs/dbraw/zinc/44/85/05/952448505.db2.gz JKJWSFHCVVOFDN-OLZOCXBDSA-N 1 0 383.431 1.618 20 0 GDADRO O=C([C@H]1CCC1(F)F)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571115066 952464381 /nfs/dbraw/zinc/46/43/81/952464381.db2.gz RHRIESPTIOOGTJ-NTZNESFSSA-N 1 0 375.383 1.202 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575191799 952469930 /nfs/dbraw/zinc/46/99/30/952469930.db2.gz YSCFQRGARRGSPT-STQMWFEESA-N 1 0 383.431 1.618 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575197140 952479593 /nfs/dbraw/zinc/47/95/93/952479593.db2.gz OAHZMNXUOAWUFI-KGLIPLIRSA-N 1 0 381.440 1.676 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001575197663 952487132 /nfs/dbraw/zinc/48/71/32/952487132.db2.gz YOZGROQNIHUARU-CYBMUJFWSA-N 1 0 381.440 1.606 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)C1CC(F)(F)C1 ZINC001571119851 952495128 /nfs/dbraw/zinc/49/51/28/952495128.db2.gz GOOLWRZRDZKEBX-IAQYHMDHSA-N 1 0 376.411 1.849 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1ccsn1 ZINC001571120181 952500265 /nfs/dbraw/zinc/50/02/65/952500265.db2.gz IWZJBCMIYFKNGT-AOOOYVTPSA-N 1 0 375.483 1.683 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)c1ncccn1 ZINC001571120189 952500897 /nfs/dbraw/zinc/50/08/97/952500897.db2.gz KSOQTCQHGAYSBF-OAGGEKHMSA-N 1 0 376.424 1.192 20 0 GDADRO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001571120435 952503458 /nfs/dbraw/zinc/50/34/58/952503458.db2.gz LKEKPVJNXWDQDC-SGMGOOAPSA-N 1 0 375.502 1.054 20 0 GDADRO CC[C@H](F)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(F)c(-c3nn[nH]n3)c1)C2 ZINC001571120841 952509639 /nfs/dbraw/zinc/50/96/39/952509639.db2.gz RDHCWZMSBSWZQZ-AWEZNQCLSA-N 1 0 376.411 1.788 20 0 GDADRO C[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571120958 952511406 /nfs/dbraw/zinc/51/14/06/952511406.db2.gz VHITZFUPDGIXAC-KWQFWETISA-N 1 0 376.421 1.041 20 0 GDADRO CO[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(C)C ZINC001571121594 952520895 /nfs/dbraw/zinc/52/08/95/952520895.db2.gz AIBPXNLURNQZAF-CJNGLKHVSA-N 1 0 376.436 1.367 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001571122271 952525011 /nfs/dbraw/zinc/52/50/11/952525011.db2.gz IDAMBBQHUDTKRL-LSDHHAIUSA-N 1 0 376.486 1.326 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124431 952539021 /nfs/dbraw/zinc/53/90/21/952539021.db2.gz IUVSCIWRRTYSDR-WZRBSPASSA-N 1 0 377.399 1.235 20 0 GDADRO Cc1cncc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571128297 952566135 /nfs/dbraw/zinc/56/61/35/952566135.db2.gz QWBCZRMJTCGYIS-QGZVFWFLSA-N 1 0 377.452 1.965 20 0 GDADRO CCc1cccnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571128444 952567005 /nfs/dbraw/zinc/56/70/05/952567005.db2.gz SIIQHGFHSHYYCW-WKILWMFISA-N 1 0 377.452 1.875 20 0 GDADRO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC001571128664 952569551 /nfs/dbraw/zinc/56/95/51/952569551.db2.gz WHZAXHMOJNBAHO-UHFFFAOYSA-N 1 0 377.452 1.965 20 0 GDADRO Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)cc1 ZINC001571128971 952572226 /nfs/dbraw/zinc/57/22/26/952572226.db2.gz ZUQQMPJRZOIZCC-OSYLJGHBSA-N 1 0 377.452 1.611 20 0 GDADRO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nc1C ZINC001571134127 952586045 /nfs/dbraw/zinc/58/60/45/952586045.db2.gz FABARNCUZQQGCU-PXAZEXFGSA-N 1 0 378.440 1.268 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)c1cc[nH]c(=O)c1 ZINC001571140432 952625505 /nfs/dbraw/zinc/62/55/05/952625505.db2.gz CNIILZXQRNEMEV-MLGOLLRUSA-N 1 0 379.424 1.218 20 0 GDADRO CC[C@@H](C(=O)N1CC[C@@H](CNc2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571140517 952626336 /nfs/dbraw/zinc/62/63/36/952626336.db2.gz BSSCUODRORPHGR-RYUDHWBXSA-N 1 0 378.506 1.232 20 0 GDADRO O=C(c1cn[nH]c1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571140546 952626860 /nfs/dbraw/zinc/62/68/60/952626860.db2.gz CKRVLAMTAKYWHC-SJORKVTESA-N 1 0 378.440 1.469 20 0 GDADRO CS[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571141646 952634918 /nfs/dbraw/zinc/63/49/18/952634918.db2.gz JLLOIFGUGYGWDJ-WCQYABFASA-N 1 0 378.477 1.838 20 0 GDADRO O=C(c1cn[nH]c1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571142801 952646347 /nfs/dbraw/zinc/64/63/47/952646347.db2.gz ZDBTWHBPFFOQBU-SJORKVTESA-N 1 0 378.440 1.469 20 0 GDADRO O=C(c1ccon1)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571147199 952658643 /nfs/dbraw/zinc/65/86/43/952658643.db2.gz IWYUDWUJYMMXIR-DOTOQJQBSA-N 1 0 379.424 1.591 20 0 GDADRO C[C@H](NC(=O)c1ccnnc1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571147596 952663446 /nfs/dbraw/zinc/66/34/46/952663446.db2.gz OVHZPNDWOMLXDU-JSGCOSHPSA-N 1 0 379.428 1.087 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571150429 952668439 /nfs/dbraw/zinc/66/84/39/952668439.db2.gz AJYMVLHDPSXFGS-RHSMWYFYSA-N 1 0 379.468 1.622 20 0 GDADRO Cc1c(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)[C@@H](C)C2)ccn1C ZINC001571150847 952670531 /nfs/dbraw/zinc/67/05/31/952670531.db2.gz HLUDUKWDKVGFLO-UGSOOPFHSA-N 1 0 379.468 1.764 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC001571151168 952673536 /nfs/dbraw/zinc/67/35/36/952673536.db2.gz MVKIFNSONMUZSO-OAHLLOKOSA-N 1 0 379.468 1.718 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC(C)(F)F)C2)cc1-c1nn[nH]n1 ZINC001571155563 952698860 /nfs/dbraw/zinc/69/88/60/952698860.db2.gz WWCZAELQOYEEKX-GFCCVEGCSA-N 1 0 380.399 1.611 20 0 GDADRO Cc1cc(N(C)C2CCN(C(=O)c3cncnc3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571159804 952721694 /nfs/dbraw/zinc/72/16/94/952721694.db2.gz XJTQVHINJWSMMN-UHFFFAOYSA-N 1 0 379.428 1.101 20 0 GDADRO CCc1n[nH]cc1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571165410 952750677 /nfs/dbraw/zinc/75/06/77/952750677.db2.gz CUEQDEDJVLSJPF-CQSZACIVSA-N 1 0 380.456 1.404 20 0 GDADRO Oc1ccc(CN2CC[NH+](C[C@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC001571165850 952755978 /nfs/dbraw/zinc/75/59/78/952755978.db2.gz HPQVPTUIVHOCBM-IBGZPJMESA-N 1 0 380.452 1.424 20 0 GDADRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC001571166393 952760611 /nfs/dbraw/zinc/76/06/11/952760611.db2.gz MCDAJVBKTVQBDJ-BLLLJJGKSA-N 1 0 380.456 1.414 20 0 GDADRO CCCc1[nH]ccc1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571166386 952761194 /nfs/dbraw/zinc/76/11/94/952761194.db2.gz LZMSFFGXZKCTII-UHFFFAOYSA-N 1 0 380.456 1.941 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167031 952769107 /nfs/dbraw/zinc/76/91/07/952769107.db2.gz TVFVUBVBBFWLRT-CJNGLKHVSA-N 1 0 380.456 1.098 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cn1ccnc1 ZINC001571167102 952770320 /nfs/dbraw/zinc/77/03/20/952770320.db2.gz VSCNRQYISKLZMP-GOEBONIOSA-N 1 0 380.456 1.233 20 0 GDADRO CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571167215 952771192 /nfs/dbraw/zinc/77/11/92/952771192.db2.gz YNRBSKZECUBQFY-UHFFFAOYSA-N 1 0 380.456 1.476 20 0 GDADRO CC1(C)C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1NC(=O)Cn1ccnc1 ZINC001571167178 952771522 /nfs/dbraw/zinc/77/15/22/952771522.db2.gz XMGGWXPTRZKAAP-INIZCTEOSA-N 1 0 380.456 1.090 20 0 GDADRO Cc1cccnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571169396 952772552 /nfs/dbraw/zinc/77/25/52/952772552.db2.gz BLJAHWZVAVAWET-DZGCQCFKSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169500 952774739 /nfs/dbraw/zinc/77/47/39/952774739.db2.gz FBUJLKDGRYVQIJ-SWLSCSKDSA-N 1 0 380.456 1.539 20 0 GDADRO CCn1cccc1C(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571169503 952775162 /nfs/dbraw/zinc/77/51/62/952775162.db2.gz FCBODSNAZMSKOJ-CQSZACIVSA-N 1 0 380.456 1.530 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571169569 952775721 /nfs/dbraw/zinc/77/57/21/952775721.db2.gz GVTDAGDFOSUTRQ-WBMJQRKESA-N 1 0 380.456 1.539 20 0 GDADRO Cc1cc(NC[C@@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169841 952779566 /nfs/dbraw/zinc/77/95/66/952779566.db2.gz PBHQAFCBPWBBIY-TZMCWYRMSA-N 1 0 380.456 1.069 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571170601 952787310 /nfs/dbraw/zinc/78/73/10/952787310.db2.gz XEXBTVRNIPRAEQ-WBMJQRKESA-N 1 0 380.456 1.681 20 0 GDADRO Cc1[nH]nc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1C ZINC001571170589 952787387 /nfs/dbraw/zinc/78/73/87/952787387.db2.gz XCCKXJMVTHFEQE-HNNXBMFYSA-N 1 0 380.456 1.459 20 0 GDADRO Cc1ccc(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)n1C ZINC001571170894 952789989 /nfs/dbraw/zinc/78/99/89/952789989.db2.gz YXNGQIDBKXUPIF-AWEZNQCLSA-N 1 0 380.456 1.356 20 0 GDADRO Cc1cncc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571170931 952790865 /nfs/dbraw/zinc/79/08/65/952790865.db2.gz ZWOXKIXSVDNIGV-HNNXBMFYSA-N 1 0 380.456 1.635 20 0 GDADRO Cc1nccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571171980 952799956 /nfs/dbraw/zinc/79/99/56/952799956.db2.gz KCMKWSJENNXZJZ-QGZVFWFLSA-N 1 0 380.456 1.152 20 0 GDADRO O=C(Cn1cccn1)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172261 952803615 /nfs/dbraw/zinc/80/36/15/952803615.db2.gz QYAHMYXEXAFRHH-WBVHZDCISA-N 1 0 380.456 1.138 20 0 GDADRO Cn1ccc(C(=O)N2CCC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571172297 952806102 /nfs/dbraw/zinc/80/61/02/952806102.db2.gz SFMUEJKZQFWYKM-HNNXBMFYSA-N 1 0 380.456 1.242 20 0 GDADRO Cc1ncn(C)c1C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172535 952807291 /nfs/dbraw/zinc/80/72/91/952807291.db2.gz WOFZUVOMGIWFEW-UHFFFAOYSA-N 1 0 380.456 1.207 20 0 GDADRO Cn1cncc1C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571172809 952808437 /nfs/dbraw/zinc/80/84/37/952808437.db2.gz YCTKXKKRWPQVHO-JKSUJKDBSA-N 1 0 380.456 1.289 20 0 GDADRO Cc1ncccc1C[NH2+][C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1(C)C ZINC001571172558 952808974 /nfs/dbraw/zinc/80/89/74/952808974.db2.gz XDICFAZVKJFOIZ-INIZCTEOSA-N 1 0 380.456 1.539 20 0 GDADRO C[C@H](c1ccccc1F)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571178264 952837766 /nfs/dbraw/zinc/83/77/66/952837766.db2.gz DGTUXRBVMOCNAQ-XPZRHXQJSA-N 1 0 381.415 1.755 20 0 GDADRO Cc1cc(N2CC[C@H](CNC(=O)c3cccc(F)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571178476 952842610 /nfs/dbraw/zinc/84/26/10/952842610.db2.gz KAXYXDVYXZLVDO-CYBMUJFWSA-N 1 0 381.415 1.966 20 0 GDADRO CN(C(=O)c1ccc(F)cn1)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571178563 952843667 /nfs/dbraw/zinc/84/36/67/952843667.db2.gz NBSMWVXNTSUANS-MRXNPFEDSA-N 1 0 381.415 1.747 20 0 GDADRO Cc1cc(NC[C@@H]2CN(C(=O)Cc3ccco3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571179681 952856905 /nfs/dbraw/zinc/85/69/05/952856905.db2.gz JIYNSOCAYOPLDC-GXTWGEPZSA-N 1 0 381.440 1.334 20 0 GDADRO Cc1ccc([C@@H](C)C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571180478 952860102 /nfs/dbraw/zinc/86/01/02/952860102.db2.gz OYPFDGRIPNVEDU-ZIAGYGMSSA-N 1 0 381.440 1.970 20 0 GDADRO CCc1ncoc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571182799 952869587 /nfs/dbraw/zinc/86/95/87/952869587.db2.gz GBPWTSZEBOAIEC-OTVXOJSOSA-N 1 0 381.440 1.715 20 0 GDADRO C[C@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)CCc2ccco2)C1 ZINC001571182957 952871224 /nfs/dbraw/zinc/87/12/24/952871224.db2.gz KPCFCAYBHJWUPA-LJQANCHMSA-N 1 0 381.440 1.560 20 0 GDADRO COc1cccc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)c1 ZINC001571183342 952876738 /nfs/dbraw/zinc/87/67/38/952876738.db2.gz XSRYBLFSXCKEOV-PXAZEXFGSA-N 1 0 381.440 1.454 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571183386 952877228 /nfs/dbraw/zinc/87/72/28/952877228.db2.gz ZBWIGOWZEMCNEG-SJCJKPOMSA-N 1 0 381.415 1.826 20 0 GDADRO COc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1C ZINC001571183373 952877946 /nfs/dbraw/zinc/87/79/46/952877946.db2.gz YVLQVVUDGZSJAQ-GASCZTMLSA-N 1 0 381.440 1.562 20 0 GDADRO C[C@H]([NH2+][C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1(C)C)c1cnccn1 ZINC001571184318 952890915 /nfs/dbraw/zinc/89/09/15/952890915.db2.gz WCLUIUNQNBVPRH-NHYWBVRUSA-N 1 0 381.444 1.186 20 0 GDADRO C[C@H](NC(=O)c1cn[nH]n1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571185042 952900153 /nfs/dbraw/zinc/90/01/53/952900153.db2.gz HGMRPOKGMNCMSJ-LBPRGKRZSA-N 1 0 381.444 1.015 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571186332 952906284 /nfs/dbraw/zinc/90/62/84/952906284.db2.gz WPRLIQMIXTUICI-ZDUSSCGKSA-N 1 0 381.444 1.424 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCC[C@@H]1CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571187965 952911133 /nfs/dbraw/zinc/91/11/33/952911133.db2.gz DTQNYGZBRJRLBI-CYBMUJFWSA-N 1 0 381.444 1.343 20 0 GDADRO Cc1nn[nH]c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571187973 952911677 /nfs/dbraw/zinc/91/16/77/952911677.db2.gz DYWRZEVTQIZBOZ-CQSZACIVSA-N 1 0 381.444 1.078 20 0 GDADRO Cn1cc([C@H]2CCC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)nn1 ZINC001571188768 952919398 /nfs/dbraw/zinc/91/93/98/952919398.db2.gz ILTDFHRPPIOEOW-AWEZNQCLSA-N 1 0 381.444 1.203 20 0 GDADRO Cc1ncc(C[NH2+]C[C@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC001571189377 952929467 /nfs/dbraw/zinc/92/94/67/952929467.db2.gz QNPZXEOONHKAPP-CQSZACIVSA-N 1 0 381.444 1.078 20 0 GDADRO O=C(N[C@H]1CCCC[C@H]1C[NH2+]Cc1ncccn1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571189768 952934689 /nfs/dbraw/zinc/93/46/89/952934689.db2.gz UEGPHZLSSIJKQZ-JSGCOSHPSA-N 1 0 381.444 1.063 20 0 GDADRO Cc1cc(N2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]4C(C)C)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189985 952938693 /nfs/dbraw/zinc/93/86/93/952938693.db2.gz BRKLRGCXYHFYCJ-QKPAOTATSA-N 1 0 381.484 1.757 20 0 GDADRO C[C@H]1C[C@@H]1C(=O)N1CCC([C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001571191199 952945928 /nfs/dbraw/zinc/94/59/28/952945928.db2.gz OFFOOGUBLRUBOX-BPUTZDHNSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@@H]1CN(C(=O)C(F)F)CC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571194089 952956590 /nfs/dbraw/zinc/95/65/90/952956590.db2.gz IKSJBEVJISFZDB-PWSUYJOCSA-N 1 0 382.390 1.845 20 0 GDADRO Cc1cc(N2CCC[C@H]2CNC(=O)c2ccc(F)cn2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571196895 952985193 /nfs/dbraw/zinc/98/51/93/952985193.db2.gz PDEBIIQJHZIKPF-ZDUSSCGKSA-N 1 0 382.403 1.503 20 0 GDADRO CCc1noc(C)c1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571199525 953000756 /nfs/dbraw/zinc/00/07/56/953000756.db2.gz UGMPYGIVKOVWDA-UHFFFAOYSA-N 1 0 382.428 1.519 20 0 GDADRO O=C(c1ccnnc1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571200003 953006448 /nfs/dbraw/zinc/00/64/48/953006448.db2.gz GZMTXFDWGFHKEZ-CYBMUJFWSA-N 1 0 382.403 1.048 20 0 GDADRO O=C(c1ccnnc1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571200309 953008721 /nfs/dbraw/zinc/00/87/21/953008721.db2.gz HKMVWLVLJFBUHK-CQSZACIVSA-N 1 0 382.403 1.190 20 0 GDADRO O=C(N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccc(F)cn1 ZINC001571200322 953009095 /nfs/dbraw/zinc/00/90/95/953009095.db2.gz HTKXXNWFQPIWPQ-AAEUAGOBSA-N 1 0 382.403 1.228 20 0 GDADRO Cc1nocc1C[NH2+][C@@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 ZINC001571205324 953037175 /nfs/dbraw/zinc/03/71/75/953037175.db2.gz GXCNCGTXNGZLAN-CABCVRRESA-N 1 0 382.428 1.322 20 0 GDADRO Cc1nocc1C[N@@H+]1CC[C@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@@H]12 ZINC001571205654 953040227 /nfs/dbraw/zinc/04/02/27/953040227.db2.gz KKMCNCZDIAWVTN-CRAIPNDOSA-N 1 0 382.428 1.418 20 0 GDADRO Cc1nonc1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571205696 953041042 /nfs/dbraw/zinc/04/10/42/953041042.db2.gz KVUDCVVNKCFZEG-CQSZACIVSA-N 1 0 382.428 1.152 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)[C@@H]1CCCOC1 ZINC001571210162 953070398 /nfs/dbraw/zinc/07/03/98/953070398.db2.gz NCLDRSMZIQYFPK-DDBAPUKQSA-N 1 0 382.468 1.087 20 0 GDADRO O=C(C1=CCOCC1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571210032 953070694 /nfs/dbraw/zinc/07/06/94/953070694.db2.gz MBGXIVYDUAOIAX-KRWDZBQOSA-N 1 0 382.468 1.684 20 0 GDADRO O=C(NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571210207 953071625 /nfs/dbraw/zinc/07/16/25/953071625.db2.gz OKHUAINHKGOPGG-MSOLQXFVSA-N 1 0 382.468 1.230 20 0 GDADRO O=C(N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@]12C[C@H]1COC2 ZINC001571210701 953074328 /nfs/dbraw/zinc/07/43/28/953074328.db2.gz VSUOMANJHAODJX-UVFQYZLESA-N 1 0 382.468 1.231 20 0 GDADRO CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)c(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC001571216706 953103286 /nfs/dbraw/zinc/10/32/86/953103286.db2.gz CJYHRPPVIUXCTB-LLVKDONJSA-N 1 0 383.378 1.741 20 0 GDADRO Cc1nonc1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001571224746 953150542 /nfs/dbraw/zinc/15/05/42/953150542.db2.gz FLJAURKMLPOWFI-WCQYABFASA-N 1 0 383.416 1.049 20 0 GDADRO CN(C(=O)Cc1ccc[nH]1)C1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571229459 953169904 /nfs/dbraw/zinc/16/99/04/953169904.db2.gz FVLOSAXDRCZVRJ-UHFFFAOYSA-N 1 0 383.431 1.656 20 0 GDADRO CC1(C)C[N@H+](Cc2cccc(F)c2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571229800 953172217 /nfs/dbraw/zinc/17/22/17/953172217.db2.gz NZFYOPXZFUNUNX-MRXNPFEDSA-N 1 0 383.431 1.974 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001571230371 953176827 /nfs/dbraw/zinc/17/68/27/953176827.db2.gz WOWLRDUUXCSXBA-GXTWGEPZSA-N 1 0 383.431 1.832 20 0 GDADRO Cc1cncc(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571233863 953196593 /nfs/dbraw/zinc/19/65/93/953196593.db2.gz GIGDQUJLUCKISW-CYBMUJFWSA-N 1 0 383.481 1.884 20 0 GDADRO Cc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)sc1C ZINC001571233896 953196960 /nfs/dbraw/zinc/19/69/60/953196960.db2.gz HIFTYURAXGKWSK-HDJSIYSDSA-N 1 0 383.481 1.991 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cc1cncs1 ZINC001571233991 953197307 /nfs/dbraw/zinc/19/73/07/953197307.db2.gz JUQYHBMKZINTRS-WFASDCNBSA-N 1 0 383.481 1.645 20 0 GDADRO CCc1cccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001571234371 953201573 /nfs/dbraw/zinc/20/15/73/953201573.db2.gz VLUWBUBEHJETQP-CYBMUJFWSA-N 1 0 383.481 1.890 20 0 GDADRO O=C(Cc1cccc(Cl)c1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571235276 953210548 /nfs/dbraw/zinc/21/05/48/953210548.db2.gz YVFYITPPCGYPCQ-AWEZNQCLSA-N 1 0 383.843 1.593 20 0 GDADRO Cc1nc[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571238792 953233034 /nfs/dbraw/zinc/23/30/34/953233034.db2.gz AIPIGYWBPPCISZ-OKILXGFUSA-N 1 0 384.419 1.017 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001571238809 953233538 /nfs/dbraw/zinc/23/35/38/953233538.db2.gz AJLVLGPAJTWEBK-BXUZGUMPSA-N 1 0 384.419 1.369 20 0 GDADRO C[N@@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001571239706 953242025 /nfs/dbraw/zinc/24/20/25/953242025.db2.gz QPIMEGYYVCMGFT-CYBMUJFWSA-N 1 0 384.419 1.323 20 0 GDADRO O=C(c1cn[nH]c1)N1CCC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571242026 953251844 /nfs/dbraw/zinc/25/18/44/953251844.db2.gz SZINKAKNEYNXIO-LBPRGKRZSA-N 1 0 384.419 1.371 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1=COCCO1 ZINC001571242205 953253756 /nfs/dbraw/zinc/25/37/56/953253756.db2.gz WMYYNXFBVSRSLL-HZPDHXFCSA-N 1 0 384.440 1.272 20 0 GDADRO O=C(Cc1ncc[nH]1)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571242343 953255770 /nfs/dbraw/zinc/25/57/70/953255770.db2.gz ZRBQHKRGYVRMNV-UHFFFAOYSA-N 1 0 384.419 1.052 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245850 953277816 /nfs/dbraw/zinc/27/78/16/953277816.db2.gz NFMVIMHIKBKJDV-NEPJUHHUSA-N 1 0 384.469 1.350 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC001571246355 953283027 /nfs/dbraw/zinc/28/30/27/953283027.db2.gz YSJLKGXGMLDHQD-RISCZKNCSA-N 1 0 384.469 1.359 20 0 GDADRO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001571247725 953285522 /nfs/dbraw/zinc/28/55/22/953285522.db2.gz CKFFKEOFPIAKHZ-XLIONFOSSA-N 1 0 384.484 1.764 20 0 GDADRO Cc1nnsc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571247790 953285856 /nfs/dbraw/zinc/28/58/56/953285856.db2.gz FARRJBRLZCPEER-CYBMUJFWSA-N 1 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C[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001571248313 953291319 /nfs/dbraw/zinc/29/13/19/953291319.db2.gz QEHWGFIQYYLTIE-WMLDXEAASA-N 1 0 384.484 1.620 20 0 GDADRO C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC001571248297 953291787 /nfs/dbraw/zinc/29/17/87/953291787.db2.gz PUVJHIKBCXXIGB-HLIPFELVSA-N 1 0 384.484 1.810 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCC1 ZINC001571248236 953291796 /nfs/dbraw/zinc/29/17/96/953291796.db2.gz OFGRARBDQBCGFU-QZTJIDSGSA-N 1 0 384.484 1.762 20 0 GDADRO CO[C@@H](C)C(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571248348 953292490 /nfs/dbraw/zinc/29/24/90/953292490.db2.gz RBUGFFUIADGKLR-MGPUTAFESA-N 1 0 384.484 1.716 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001571249113 953300185 /nfs/dbraw/zinc/30/01/85/953300185.db2.gz DHYAHUXHIHRWJE-HNAYVOBHSA-N 1 0 384.488 1.220 20 0 GDADRO O=C(CC1(O)CCC1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571249197 953302824 /nfs/dbraw/zinc/30/28/24/953302824.db2.gz FRNIUNJSHCIKCW-INIZCTEOSA-N 1 0 384.484 1.643 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1C ZINC001571249688 953306739 /nfs/dbraw/zinc/30/67/39/953306739.db2.gz KJCXSFORGDLZAP-FVQBIDKESA-N 1 0 384.488 1.075 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CN1c1ccc(-c2nn[nH]n2)nc1 ZINC001571249891 953306758 /nfs/dbraw/zinc/30/67/58/953306758.db2.gz MBWCXLGCGNCWGG-UKRRQHHQSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571249962 953308110 /nfs/dbraw/zinc/30/81/10/953308110.db2.gz MVUBJTDGRWQOKJ-ZIAGYGMSSA-N 1 0 384.488 1.252 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC001571250525 953311784 /nfs/dbraw/zinc/31/17/84/953311784.db2.gz QLCNYMMECWLBAR-MSOLQXFVSA-N 1 0 384.484 1.668 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571250794 953311922 /nfs/dbraw/zinc/31/19/22/953311922.db2.gz SKICZIHONMBHPF-FVQBIDKESA-N 1 0 384.488 1.441 20 0 GDADRO O=C([C@H]1CCCOCC1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571251578 953318599 /nfs/dbraw/zinc/31/85/99/953318599.db2.gz ZQWWLWXWRAFSBP-RDJZCZTQSA-N 1 0 384.484 1.764 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001571251951 953321230 /nfs/dbraw/zinc/32/12/30/953321230.db2.gz CLLOUOFKMIRCBE-GDBMZVCRSA-N 1 0 384.488 1.139 20 0 GDADRO Cc1nc(NCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ccc1-c1nn[nH]n1 ZINC001571252055 953322425 /nfs/dbraw/zinc/32/24/25/953322425.db2.gz GGQOCMNLGVESLT-OAHLLOKOSA-N 1 0 384.488 1.172 20 0 GDADRO Cc1cc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)no1 ZINC001571254541 953339657 /nfs/dbraw/zinc/33/96/57/953339657.db2.gz HBKAYNQBAYMKRL-CYBMUJFWSA-N 1 0 385.403 1.235 20 0 GDADRO Cc1ncoc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC001571255677 953352731 /nfs/dbraw/zinc/35/27/31/953352731.db2.gz RXEKGNDUTXNTAU-QMTHXVAHSA-N 1 0 385.403 1.695 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)no1 ZINC001571255965 953359763 /nfs/dbraw/zinc/35/97/63/953359763.db2.gz XBLVOPKQUONLOB-AWEZNQCLSA-N 1 0 385.403 1.697 20 0 GDADRO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)[NH+]2CCCC2)cc1 ZINC000874389582 956137057 /nfs/dbraw/zinc/13/70/57/956137057.db2.gz MXVQWOOXEXKQQI-LJQANCHMSA-N 1 0 388.512 1.980 20 0 GDADRO C[C@H]([NH2+]C(C)(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)c1ccccc1 ZINC000874391982 956142537 /nfs/dbraw/zinc/14/25/37/956142537.db2.gz VIWVWWXBJOPMRT-HNNXBMFYSA-N 1 0 376.501 1.964 20 0 GDADRO CN(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000874428463 956224059 /nfs/dbraw/zinc/22/40/59/956224059.db2.gz HNJIIXGTZZIWTC-JOCBIADPSA-N 1 0 380.533 1.828 20 0 GDADRO C[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000874416888 969394734 /nfs/dbraw/zinc/39/47/34/969394734.db2.gz ANTARPAYFRSYPM-SJORKVTESA-N 1 0 388.512 1.840 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1 ZINC000874417157 969395045 /nfs/dbraw/zinc/39/50/45/969395045.db2.gz GBMURRBHKHFRNB-IAGOWNOFSA-N 1 0 380.533 1.831 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](C)[C@H](C(=O)[O-])C3)cc2)CC1 ZINC001603768320 974216796 /nfs/dbraw/zinc/21/67/96/974216796.db2.gz MZWZGSIISWTKGA-QFBILLFUSA-N 1 0 388.512 1.810 20 0 GDADRO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC001592706785 979179298 /nfs/dbraw/zinc/17/92/98/979179298.db2.gz MXISTKBBSMXQBF-HOTGVXAUSA-N 1 0 376.501 1.575 20 0 GDADRO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2C[NH+]2C[C@H](O)[C@@H](CC)C2)C[C@@H]1O ZINC001595489938 981239923 /nfs/dbraw/zinc/23/99/23/981239923.db2.gz XGZUJJILYNQMGX-QBTDHISASA-N 1 0 376.497 1.790 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001596418841 984048115 /nfs/dbraw/zinc/04/81/15/984048115.db2.gz WCQGSIXUUYLLAK-OAHLLOKOSA-N 1 0 377.489 1.968 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001594514747 985851629 /nfs/dbraw/zinc/85/16/29/985851629.db2.gz BRZXWMUUQDYVMH-PKOBYXMFSA-N 1 0 388.512 1.841 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001594515288 985872462 /nfs/dbraw/zinc/87/24/62/985872462.db2.gz NSRNMCZYGZQWCN-QUCCMNQESA-N 1 0 387.524 1.949 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC001598190795 990778896 /nfs/dbraw/zinc/77/88/96/990778896.db2.gz LMXHYDMTHABDOA-QFBILLFUSA-N 1 0 388.512 1.952 20 0 GDADRO CN1CCC(CNC(=O)Nc2cccc(CC(=O)[O-])n2)([NH+]2CCCCC2)CC1 ZINC001598584557 993362366 /nfs/dbraw/zinc/36/23/66/993362366.db2.gz YLSHDLMPZOPTDK-UHFFFAOYSA-N 1 0 389.500 1.781 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001598606025 993659877 /nfs/dbraw/zinc/65/98/77/993659877.db2.gz GTGHJJGZJKXRDQ-GOEBONIOSA-N 1 0 382.892 1.601 20 0 GDADRO COC1([C@H](C(=O)[O-])[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC001599083947 997060059 /nfs/dbraw/zinc/06/00/59/997060059.db2.gz ZPAKORLGVGJVFL-PMACEKPBSA-N 1 0 387.524 1.901 20 0 GDADRO CCn1c2nnc(C[NH2+]C3(CO)Cc4ccccc4C3)n2c2ccccc2c1=O ZINC000584099407 1126098364 /nfs/dbraw/zinc/09/83/64/1126098364.db2.gz FTSPONXSLFQCOY-UHFFFAOYSA-N 1 0 389.459 1.684 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000158409419 530532972 /nfs/dbraw/zinc/53/29/72/530532972.db2.gz PPBARUHSBLUEHY-JTQLQIEISA-N 1 0 380.297 1.612 20 0 GDADRO CC[NH+](CC)CCNC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000158598623 530534284 /nfs/dbraw/zinc/53/42/84/530534284.db2.gz KTMFAFMOTXUCIQ-UHFFFAOYSA-N 1 0 385.306 1.820 20 0 GDADRO CN(CCC[NH3+])C(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000158871061 530537001 /nfs/dbraw/zinc/53/70/01/530537001.db2.gz GXKVSFNGSIZTJR-UHFFFAOYSA-N 1 0 377.304 1.809 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000158952457 530537381 /nfs/dbraw/zinc/53/73/81/530537381.db2.gz ZXBZVQSFAPDRNS-SNVBAGLBSA-N 1 0 383.333 1.636 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccccc1Br ZINC000159002209 530538439 /nfs/dbraw/zinc/53/84/39/530538439.db2.gz HHCUTWIKINPXDN-UHFFFAOYSA-N 1 0 377.304 1.574 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+](CC)CC)cc1 ZINC000006435783 530541295 /nfs/dbraw/zinc/54/12/95/530541295.db2.gz RLPTWBSTFBHNCH-UHFFFAOYSA-N 1 0 391.559 1.337 20 0 GDADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000161778010 530563737 /nfs/dbraw/zinc/56/37/37/530563737.db2.gz SRWASAXFWAMVNO-VGPLMAKISA-N 1 0 383.436 1.337 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000161729587 530563973 /nfs/dbraw/zinc/56/39/73/530563973.db2.gz DMMNDOBZSCFLNJ-NSHDSACASA-N 1 0 381.278 1.595 20 0 GDADRO CCN(CCC[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)S(C)(=O)=O ZINC000161971161 530564903 /nfs/dbraw/zinc/56/49/03/530564903.db2.gz NREHFIIYHXSMME-CYBMUJFWSA-N 1 0 392.319 1.237 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000163245002 530574909 /nfs/dbraw/zinc/57/49/09/530574909.db2.gz ARMYVZUBZLFILJ-LLVKDONJSA-N 1 0 389.315 1.937 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C1(NC(N)=O)CC1 ZINC000163435445 530575829 /nfs/dbraw/zinc/57/58/29/530575829.db2.gz RRLGZLVAHCBJLU-UHFFFAOYSA-N 1 0 383.290 1.540 20 0 GDADRO C[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)Oc1ccccc1Br ZINC000163694393 530576835 /nfs/dbraw/zinc/57/68/35/530576835.db2.gz FDZXXOVKAQLZDZ-PWSUYJOCSA-N 1 0 393.303 1.095 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000171193125 530595436 /nfs/dbraw/zinc/59/54/36/530595436.db2.gz KMFFTBULXONWON-OAHLLOKOSA-N 1 0 397.317 1.962 20 0 GDADRO COc1cc(Br)c(C[NH2+]CCCN(C)S(C)(=O)=O)cc1OC ZINC000030914160 530600837 /nfs/dbraw/zinc/60/08/37/530600837.db2.gz LLZCMSJPLCLUAO-UHFFFAOYSA-N 1 0 395.319 1.837 20 0 GDADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000032072985 530605332 /nfs/dbraw/zinc/60/53/32/530605332.db2.gz NLMTUNMKFCGIIP-CYBMUJFWSA-N 1 0 389.543 1.136 20 0 GDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CCO1 ZINC000172032118 530607141 /nfs/dbraw/zinc/60/71/41/530607141.db2.gz KVSSZARLRIUKGJ-SNVBAGLBSA-N 1 0 398.710 1.449 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)C(C)(C)C ZINC000172110044 530608230 /nfs/dbraw/zinc/60/82/30/530608230.db2.gz FKOHKXFIYBSMMB-LBPRGKRZSA-N 1 0 376.548 1.561 20 0 GDADRO C[S@@](=O)Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCC2)ccc1Cl ZINC000172170742 530609160 /nfs/dbraw/zinc/60/91/60/530609160.db2.gz KCYSSTIHXVKNNN-RUZDIDTESA-N 1 0 385.917 1.759 20 0 GDADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)CC1 ZINC000172172380 530609349 /nfs/dbraw/zinc/60/93/49/530609349.db2.gz BHVVOHCFNIJRAJ-RUZDIDTESA-N 1 0 385.917 1.710 20 0 GDADRO O=S(=O)(NCCN1CC[NH2+]CC1)c1ccc(Br)cc1Cl ZINC000036269667 530613972 /nfs/dbraw/zinc/61/39/72/530613972.db2.gz OOPDXEQGWDLEIE-UHFFFAOYSA-N 1 0 382.711 1.286 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000041914995 530625235 /nfs/dbraw/zinc/62/52/35/530625235.db2.gz HCSIHAHPSIORFN-LLVKDONJSA-N 1 0 396.285 1.892 20 0 GDADRO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173442314 530629902 /nfs/dbraw/zinc/62/99/02/530629902.db2.gz DWUITJYIGOHCKJ-JEYLPNPQSA-N 1 0 388.555 1.943 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000042741253 530630690 /nfs/dbraw/zinc/63/06/90/530630690.db2.gz ONUBZWCCDAPWQF-UHFFFAOYSA-N 1 0 384.274 1.060 20 0 GDADRO O=C(CS[C@H]1CCS(=O)(=O)C1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000042726283 530630878 /nfs/dbraw/zinc/63/08/78/530630878.db2.gz YMHHUJZCGKYJFP-KRWDZBQOSA-N 1 0 382.551 1.471 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000173792726 530637169 /nfs/dbraw/zinc/63/71/69/530637169.db2.gz ZJSJAORYPDKNGD-GFCCVEGCSA-N 1 0 393.962 1.870 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(I)c2)C1 ZINC000172659350 530616426 /nfs/dbraw/zinc/61/64/26/530616426.db2.gz HCKJKIOLZPYHFL-NSHDSACASA-N 1 0 394.278 1.863 20 0 GDADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000041069788 530620132 /nfs/dbraw/zinc/62/01/32/530620132.db2.gz UZWKUGBIANERQU-SNVBAGLBSA-N 1 0 380.695 1.966 20 0 GDADRO CC(C)[C@@H](CNC(=O)NCCCN(C)S(C)(=O)=O)[NH+]1CCCCCC1 ZINC000045534213 530644797 /nfs/dbraw/zinc/64/47/97/530644797.db2.gz YGICEVWBZNNYTH-MRXNPFEDSA-N 1 0 376.567 1.468 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccsc1 ZINC000045659373 530645579 /nfs/dbraw/zinc/64/55/79/530645579.db2.gz HVUDTPBSNPFNDV-HNNXBMFYSA-N 1 0 382.511 1.498 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000175083653 530658390 /nfs/dbraw/zinc/65/83/90/530658390.db2.gz LFVMBZXXJGWTSU-RYUDHWBXSA-N 1 0 394.946 1.895 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000175243934 530661621 /nfs/dbraw/zinc/66/16/21/530661621.db2.gz CVWFVJWSDAYZPE-UHFFFAOYSA-N 1 0 386.290 1.781 20 0 GDADRO CC[NH+](CC)CCCNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000047740287 530662429 /nfs/dbraw/zinc/66/24/29/530662429.db2.gz ZUGDRXPTCZMIDG-UHFFFAOYSA-N 1 0 389.543 1.231 20 0 GDADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000175303746 530663416 /nfs/dbraw/zinc/66/34/16/530663416.db2.gz ATXBKIKJJMIKRJ-ZDUSSCGKSA-N 1 0 379.448 1.928 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c(F)cc1F ZINC000175803522 530670350 /nfs/dbraw/zinc/67/03/50/530670350.db2.gz BUWYJYYGGQXACK-MRXNPFEDSA-N 1 0 375.485 1.824 20 0 GDADRO C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C(C)(C)C[NH+](C)C ZINC000175828974 530671224 /nfs/dbraw/zinc/67/12/24/530671224.db2.gz XQFAYGKSAVPGLO-JTQLQIEISA-N 1 0 381.951 1.772 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000049275779 530673284 /nfs/dbraw/zinc/67/32/84/530673284.db2.gz MIVILRTXVQWFSM-UHFFFAOYSA-N 1 0 387.889 1.284 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1Br ZINC000176024543 530674898 /nfs/dbraw/zinc/67/48/98/530674898.db2.gz FQYOCNZNRJXCMU-LLVKDONJSA-N 1 0 384.274 1.806 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000176890848 530692990 /nfs/dbraw/zinc/69/29/90/530692990.db2.gz LKJAYVFESNCZRM-AWEZNQCLSA-N 1 0 376.906 1.587 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccsc1 ZINC000053501800 530693760 /nfs/dbraw/zinc/69/37/60/530693760.db2.gz NISOPNHYOLRXIF-HNNXBMFYSA-N 1 0 388.559 1.163 20 0 GDADRO CS(=O)(=O)N1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000053548503 530693772 /nfs/dbraw/zinc/69/37/72/530693772.db2.gz MPOHMGZHZJLBEH-CQSZACIVSA-N 1 0 386.543 1.172 20 0 GDADRO CN(CC[NH+](C)C)S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000176968428 530694969 /nfs/dbraw/zinc/69/49/69/530694969.db2.gz DKMPFUNZDNGKQH-UHFFFAOYSA-N 1 0 379.276 1.402 20 0 GDADRO COc1cc(C(=O)NCCN2CC[NH+](C)CC2)cc(OC)c1Br ZINC000053718125 530695770 /nfs/dbraw/zinc/69/57/70/530695770.db2.gz JFWUEXMAQDSDTG-UHFFFAOYSA-N 1 0 386.290 1.444 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C[N@@H+]1C1CC1 ZINC000177038913 530696169 /nfs/dbraw/zinc/69/61/69/530696169.db2.gz CGVZCGBCEAVKMM-QWHCGFSZSA-N 1 0 383.539 1.888 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000177111854 530697129 /nfs/dbraw/zinc/69/71/29/530697129.db2.gz SJQQPHRSEHBPLZ-WDEREUQCSA-N 1 0 391.946 1.763 20 0 GDADRO CN(C)C(=O)CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000054211737 530699979 /nfs/dbraw/zinc/69/99/79/530699979.db2.gz PJMRHWIRTLYDLW-LBPRGKRZSA-N 1 0 383.290 1.973 20 0 GDADRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000177404711 530702799 /nfs/dbraw/zinc/70/27/99/530702799.db2.gz QFJTZLFTSZPCOD-CQSZACIVSA-N 1 0 392.237 1.607 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177448606 530703446 /nfs/dbraw/zinc/70/34/46/530703446.db2.gz AYOWZBYLSPDJNR-UHFFFAOYSA-N 1 0 385.555 1.940 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@@H](C2CC2)[NH+](C)C)s1 ZINC000055719579 530711287 /nfs/dbraw/zinc/71/12/87/530711287.db2.gz NZSMYRQBDWVPOF-GJZGRUSLSA-N 1 0 385.555 1.666 20 0 GDADRO Cc1cc(S(=O)(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c(C)s1 ZINC000056070285 530714940 /nfs/dbraw/zinc/71/49/40/530714940.db2.gz UPXUWSGHMJGRTI-UHFFFAOYSA-N 1 0 380.539 1.990 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1cc(I)ccc1O ZINC000179482301 530742413 /nfs/dbraw/zinc/74/24/13/530742413.db2.gz MLUGNMMBFXTCJS-UHFFFAOYSA-N 1 0 392.237 1.647 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(I)c1 ZINC000062587186 530743886 /nfs/dbraw/zinc/74/38/86/530743886.db2.gz HAUSIPVMNYPRDE-SNVBAGLBSA-N 1 0 389.237 1.686 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1I ZINC000062587203 530743933 /nfs/dbraw/zinc/74/39/33/530743933.db2.gz VTTPNXKWMTYCRC-JTQLQIEISA-N 1 0 389.237 1.686 20 0 GDADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000178590409 530723174 /nfs/dbraw/zinc/72/31/74/530723174.db2.gz ITWDCWOBTZZPDC-HNNXBMFYSA-N 1 0 380.432 1.972 20 0 GDADRO CCN(CCCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)S(C)(=O)=O ZINC000057148477 530724182 /nfs/dbraw/zinc/72/41/82/530724182.db2.gz NUIRFTMHRFHDBO-INIZCTEOSA-N 1 0 376.567 1.612 20 0 GDADRO C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C[C@@H]1CCOC1 ZINC000178757968 530727637 /nfs/dbraw/zinc/72/76/37/530727637.db2.gz SEUUDTUEJFXTCM-LBPRGKRZSA-N 1 0 384.274 1.472 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NCC[N@H+]2CCCC[C@H]2C)s1 ZINC000178827015 530729048 /nfs/dbraw/zinc/72/90/48/530729048.db2.gz AYULCLYQGGPCPE-CYBMUJFWSA-N 1 0 388.559 1.508 20 0 GDADRO O[C@H](COc1ccc(Br)cc1)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000057942217 530729823 /nfs/dbraw/zinc/72/98/23/530729823.db2.gz ZITYHVWJMAHQBV-WMZOPIPTSA-N 1 0 399.329 1.985 20 0 GDADRO CN(C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000179081171 530735203 /nfs/dbraw/zinc/73/52/03/530735203.db2.gz HJLMMNYLSSOPNZ-JTQLQIEISA-N 1 0 392.308 1.868 20 0 GDADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000064345379 530749697 /nfs/dbraw/zinc/74/96/97/530749697.db2.gz ZSBJTMQWLQAOAX-QWHCGFSZSA-N 1 0 375.288 1.591 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000179815739 530750509 /nfs/dbraw/zinc/75/05/09/530750509.db2.gz VLNUICNZKZWWMS-NEPJUHHUSA-N 1 0 381.274 1.786 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180047355 530755743 /nfs/dbraw/zinc/75/57/43/530755743.db2.gz KXWAGNPURUTVEX-UHFFFAOYSA-N 1 0 394.216 1.360 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000180197332 530759671 /nfs/dbraw/zinc/75/96/71/530759671.db2.gz RBSFVFMFZIQIFB-GXFFZTMASA-N 1 0 379.404 1.538 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000066924661 530769792 /nfs/dbraw/zinc/76/97/92/530769792.db2.gz AEYATPNUDRJBSP-INIZCTEOSA-N 1 0 385.555 1.297 20 0 GDADRO CN(CC(=O)N1CCCC[C@H]1C[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000066948554 530770358 /nfs/dbraw/zinc/77/03/58/530770358.db2.gz IAWFLNZKSTWOIR-LBPRGKRZSA-N 1 0 393.962 1.965 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000067118460 530773173 /nfs/dbraw/zinc/77/31/73/530773173.db2.gz VEPIHXYCJHJJDH-UHFFFAOYSA-N 1 0 394.324 1.529 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)c(=O)n(C)c1=O ZINC000067223616 530774377 /nfs/dbraw/zinc/77/43/77/530774377.db2.gz ITUZNKJSLBMCQI-ZDUSSCGKSA-N 1 0 380.242 1.460 20 0 GDADRO C[N@H+](CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C1CC1 ZINC000067282679 530775078 /nfs/dbraw/zinc/77/50/78/530775078.db2.gz KZOMMXPTFVPBNQ-UHFFFAOYSA-N 1 0 385.917 1.949 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000181285839 530780938 /nfs/dbraw/zinc/78/09/38/530780938.db2.gz PGQSLRRRDKXERW-WZRBSPASSA-N 1 0 379.324 1.342 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068131984 530783820 /nfs/dbraw/zinc/78/38/20/530783820.db2.gz OJLMOAYGAYHEIZ-ZDUSSCGKSA-N 1 0 393.289 1.977 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000068338546 530786532 /nfs/dbraw/zinc/78/65/32/530786532.db2.gz OMQIMOKEOFGYKY-ZDUSSCGKSA-N 1 0 375.922 1.807 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000069527200 530797856 /nfs/dbraw/zinc/79/78/56/530797856.db2.gz KRAXCNXUGAEUFY-HNNXBMFYSA-N 1 0 398.301 1.406 20 0 GDADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000182662957 530802514 /nfs/dbraw/zinc/80/25/14/530802514.db2.gz VWZAWNSBDFWBLT-GJZGRUSLSA-N 1 0 394.946 1.564 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC000182837581 530806118 /nfs/dbraw/zinc/80/61/18/530806118.db2.gz JSRGIFUUVYOKAN-AWEZNQCLSA-N 1 0 376.544 1.427 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000076966075 530806778 /nfs/dbraw/zinc/80/67/78/530806778.db2.gz YQXHYKCYHMIYSR-CYBMUJFWSA-N 1 0 375.922 1.807 20 0 GDADRO CCS(=O)(=O)N1CCC(NC(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000074847839 530806794 /nfs/dbraw/zinc/80/67/94/530806794.db2.gz ZKKOOKYAIBUGEU-UHFFFAOYSA-N 1 0 376.567 1.609 20 0 GDADRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000181760535 530790297 /nfs/dbraw/zinc/79/02/97/530790297.db2.gz FODZDZGLBFLVLA-AWEZNQCLSA-N 1 0 386.539 1.702 20 0 GDADRO NC(=O)C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)C1CCOCC1 ZINC000181933285 530792941 /nfs/dbraw/zinc/79/29/41/530792941.db2.gz DYXRSLCCEUXXPW-CQSZACIVSA-N 1 0 399.285 1.981 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)CCC[NH+](C)C)C2)s1 ZINC000182002588 530793685 /nfs/dbraw/zinc/79/36/85/530793685.db2.gz RUVXOPWGBOYMSO-OAHLLOKOSA-N 1 0 387.571 1.867 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182079891 530794343 /nfs/dbraw/zinc/79/43/43/530794343.db2.gz HNUQFIFNJNYTDP-CYBMUJFWSA-N 1 0 381.523 1.954 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000103123540 530832823 /nfs/dbraw/zinc/83/28/23/530832823.db2.gz ICWQIVADQSJZPI-UHFFFAOYSA-N 1 0 380.286 1.829 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000103162629 530833676 /nfs/dbraw/zinc/83/36/76/530833676.db2.gz UGBNXXCKAPUYQI-UHFFFAOYSA-N 1 0 389.880 1.408 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)c4ccc(Br)cc4C3=O)C[C@@H]12 ZINC000185019006 530835235 /nfs/dbraw/zinc/83/52/35/530835235.db2.gz LXFBTTIVEGNLNR-OWYVNGRQSA-N 1 0 392.253 1.241 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000103498299 530835535 /nfs/dbraw/zinc/83/55/35/530835535.db2.gz WIOCSRACVOJYTA-UHFFFAOYSA-N 1 0 391.896 1.654 20 0 GDADRO CN(CCCNC(=O)C[NH2+]C(C)(C)c1ccc(Cl)cc1)S(C)(=O)=O ZINC000103482031 530835714 /nfs/dbraw/zinc/83/57/14/530835714.db2.gz CRMRDRVHCSRYAR-UHFFFAOYSA-N 1 0 375.922 1.562 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000103498301 530835944 /nfs/dbraw/zinc/83/59/44/530835944.db2.gz CTVLYYANYZQXLF-UHFFFAOYSA-N 1 0 387.933 1.823 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@H](C)O1 ZINC000080787919 530808293 /nfs/dbraw/zinc/80/82/93/530808293.db2.gz ZXQYPUIWJXMZQL-ZENOOKHLSA-N 1 0 375.922 1.886 20 0 GDADRO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000183164736 530810528 /nfs/dbraw/zinc/81/05/28/530810528.db2.gz UFSXJYOHDWBJSJ-NEPJUHHUSA-N 1 0 384.274 1.207 20 0 GDADRO COCC[N@H+](CCO)Cc1cc(I)c(OC)c(OC)c1 ZINC000093006103 530812914 /nfs/dbraw/zinc/81/29/14/530812914.db2.gz JNBAWNDDOXKTIZ-UHFFFAOYSA-N 1 0 395.237 1.749 20 0 GDADRO NC(=O)c1c(F)cc(Br)cc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000092830316 530812987 /nfs/dbraw/zinc/81/29/87/530812987.db2.gz SGGGNHRHPCPKGR-NSHDSACASA-N 1 0 386.265 1.846 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183455771 530815819 /nfs/dbraw/zinc/81/58/19/530815819.db2.gz STEPHUPHSJNIOZ-SNVBAGLBSA-N 1 0 382.258 1.852 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cnn2cc(Br)cnc12 ZINC000094127881 530815841 /nfs/dbraw/zinc/81/58/41/530815841.db2.gz VLDCJNYKUWQSGJ-UHFFFAOYSA-N 1 0 395.305 1.201 20 0 GDADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](O)COCc1cccs1 ZINC000096990378 530818893 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CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3c(F)cc(F)cc3F)C2)CC1 ZINC000106894072 530851093 /nfs/dbraw/zinc/85/10/93/530851093.db2.gz WCSLBODJPDCIBR-CYBMUJFWSA-N 1 0 377.432 1.504 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000106901302 530851347 /nfs/dbraw/zinc/85/13/47/530851347.db2.gz ONUHSFYQFKHVDU-MRXNPFEDSA-N 1 0 387.933 1.759 20 0 GDADRO COc1ccsc1[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000186217159 530853151 /nfs/dbraw/zinc/85/31/51/530853151.db2.gz LTWLSHJLNHAXMA-GFCCVEGCSA-N 1 0 384.527 1.994 20 0 GDADRO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCC1=CC[NH2+]CC1 ZINC000186280635 530854785 /nfs/dbraw/zinc/85/47/85/530854785.db2.gz ILXILTZXHZBJDE-UHFFFAOYSA-N 1 0 377.388 1.020 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000186723253 530861053 /nfs/dbraw/zinc/86/10/53/530861053.db2.gz AKSCCUAIEHWEJX-YRGRVCCFSA-N 1 0 380.286 1.916 20 0 GDADRO C[C@@H](O)CN1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000186812174 530863389 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O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[NH+]2CCC1CC2 ZINC000188820011 530902215 /nfs/dbraw/zinc/90/22/15/530902215.db2.gz QBLNKEQUXGXKCG-UHFFFAOYSA-N 1 0 380.242 1.700 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000116343027 530904794 /nfs/dbraw/zinc/90/47/94/530904794.db2.gz ZLFNKWGVQQQOJZ-HNNXBMFYSA-N 1 0 386.539 1.526 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000189122974 530907892 /nfs/dbraw/zinc/90/78/92/530907892.db2.gz HSEHGLLJCPZQOJ-UHFFFAOYSA-N 1 0 396.376 1.735 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000189118749 530908463 /nfs/dbraw/zinc/90/84/63/530908463.db2.gz IYRPFUCZJPAHQS-ZDUSSCGKSA-N 1 0 377.913 1.925 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)ccc1Br ZINC000116900820 530910021 /nfs/dbraw/zinc/91/00/21/530910021.db2.gz XFOVUIGVCKVEMW-GFCCVEGCSA-N 1 0 377.304 1.709 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000187929996 530880701 /nfs/dbraw/zinc/88/07/01/530880701.db2.gz JESAYQDLZJFITA-OAHLLOKOSA-N 1 0 390.253 1.264 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)c(C)nc2OC)CC1 ZINC000188052962 530883196 /nfs/dbraw/zinc/88/31/96/530883196.db2.gz ACJPSKHRHMUKRS-UHFFFAOYSA-N 1 0 399.333 1.919 20 0 GDADRO CCCC[N@H+](C)CC1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000112918594 530885262 /nfs/dbraw/zinc/88/52/62/530885262.db2.gz MBNHXDOJQQIQEI-UHFFFAOYSA-N 1 0 387.571 1.997 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000113185419 530887265 /nfs/dbraw/zinc/88/72/65/530887265.db2.gz HUGIZEXBNRHRJQ-UHFFFAOYSA-N 1 0 384.322 1.277 20 0 GDADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1nncs1 ZINC000188168031 530888068 /nfs/dbraw/zinc/88/80/68/530888068.db2.gz DAZHLAIHESAGRN-KRWDZBQOSA-N 1 0 378.523 1.726 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188473324 530894846 /nfs/dbraw/zinc/89/48/46/530894846.db2.gz VKCIBTSDCJNOGD-UONOGXRCSA-N 1 0 384.249 1.434 20 0 GDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)NCCc1ccc(Cl)s1 ZINC000114589614 530896429 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CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c1cccs1)CC2 ZINC000245460294 531057277 /nfs/dbraw/zinc/05/72/77/531057277.db2.gz VTBWFDWTGCBQLY-KFWWJZLASA-N 1 0 385.555 1.889 20 0 GDADRO C[NH+]1CCN(CCCSc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 ZINC000130191687 531058534 /nfs/dbraw/zinc/05/85/34/531058534.db2.gz WLEGFRSDXCGAQH-UHFFFAOYSA-N 1 0 384.571 1.596 20 0 GDADRO COc1ccc(Br)c(CC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000247657965 531076298 /nfs/dbraw/zinc/07/62/98/531076298.db2.gz XKSHQECKBFETSC-STQMWFEESA-N 1 0 385.302 1.914 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000131970635 531076549 /nfs/dbraw/zinc/07/65/49/531076549.db2.gz PLRMLDKTCBUDFW-CQSZACIVSA-N 1 0 381.782 1.726 20 0 GDADRO C[C@H](CO)[N@H+](C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000132114175 531077602 /nfs/dbraw/zinc/07/76/02/531077602.db2.gz YRAUSCNZZGUAPZ-GFCCVEGCSA-N 1 0 390.347 1.467 20 0 GDADRO OC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000248400722 531077858 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GDADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000249526134 531087791 /nfs/dbraw/zinc/08/77/91/531087791.db2.gz YKLFXNAYAOKWIZ-RYUDHWBXSA-N 1 0 388.281 1.914 20 0 GDADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000250057525 531089549 /nfs/dbraw/zinc/08/95/49/531089549.db2.gz MPNVFAYPRJPVTQ-RYUDHWBXSA-N 1 0 388.295 1.637 20 0 GDADRO Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000133319756 531090226 /nfs/dbraw/zinc/09/02/26/531090226.db2.gz LUDNKPWKTAUCFD-ZDUSSCGKSA-N 1 0 390.347 1.672 20 0 GDADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@@H](O)COCc1cccs1 ZINC000252692459 531091030 /nfs/dbraw/zinc/09/10/30/531091030.db2.gz LXTLNLYSUUVBOQ-UKRRQHHQSA-N 1 0 384.523 1.966 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)C1 ZINC000252656605 531091059 /nfs/dbraw/zinc/09/10/59/531091059.db2.gz KJKRZRRLJHLXQL-HUUCEWRRSA-N 1 0 385.555 1.668 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000261429850 531092475 /nfs/dbraw/zinc/09/24/75/531092475.db2.gz IHWDQLHOEVVIOT-CABCVRRESA-N 1 0 386.539 1.612 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)o1 ZINC000262015665 531104802 /nfs/dbraw/zinc/10/48/02/531104802.db2.gz IAARTLGMXBPIQU-UHFFFAOYSA-N 1 0 384.483 1.706 20 0 GDADRO O=C(CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1)NC(=O)NCC(F)(F)F ZINC000261615082 531093299 /nfs/dbraw/zinc/09/32/99/531093299.db2.gz CNQAWWOJFYNHGG-LBPRGKRZSA-N 1 0 378.782 1.674 20 0 GDADRO C[C@@]([NH3+])(C(=O)N1CCC[C@]2(CNC(=O)C2)C1)c1ccc(Br)cc1 ZINC000261625911 531093918 /nfs/dbraw/zinc/09/39/18/531093918.db2.gz BGPHKQDPKQGEAA-IRXDYDNUSA-N 1 0 380.286 1.752 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000261633921 531094273 /nfs/dbraw/zinc/09/42/73/531094273.db2.gz DBSFETXTHYQGJT-ZJUUUORDSA-N 1 0 380.242 1.241 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000261647825 531094867 /nfs/dbraw/zinc/09/48/67/531094867.db2.gz FETZDZWVURNJQI-IUCAKERBSA-N 1 0 393.278 1.801 20 0 GDADRO COC(=O)Cn1ccc(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000261666226 531095244 /nfs/dbraw/zinc/09/52/44/531095244.db2.gz FOSBPWVEVCCIAS-OAHLLOKOSA-N 1 0 381.230 1.631 20 0 GDADRO C[C@H]([NH3+])CC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000261670673 531095455 /nfs/dbraw/zinc/09/54/55/531095455.db2.gz AQKUSMCMYHNWAG-JTQLQIEISA-N 1 0 377.304 1.855 20 0 GDADRO CN(C)c1ncc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)n1C ZINC000261666419 531095515 /nfs/dbraw/zinc/09/55/15/531095515.db2.gz FQUOGJKYIAZTMT-INIZCTEOSA-N 1 0 380.290 1.739 20 0 GDADRO O=C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1cccc(I)c1 ZINC000261674570 531095824 /nfs/dbraw/zinc/09/58/24/531095824.db2.gz GCQFWTORMVMMPJ-SMDDNHRTSA-N 1 0 385.249 1.914 20 0 GDADRO [NH3+]C1(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCOCC1 ZINC000261695345 531096544 /nfs/dbraw/zinc/09/65/44/531096544.db2.gz DJVQJOHCRDUYGY-UHFFFAOYSA-N 1 0 386.279 1.786 20 0 GDADRO O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261704240 531096554 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GDADRO C[C@H]([NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000261892332 531101903 /nfs/dbraw/zinc/10/19/03/531101903.db2.gz UCQYLDKNHUBCSH-JTQLQIEISA-N 1 0 380.297 1.564 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCN1c2ccc(Br)cc2OCC1=O ZINC000261908750 531102004 /nfs/dbraw/zinc/10/20/04/531102004.db2.gz XTTVBAHTZHPZEN-NEPJUHHUSA-N 1 0 396.285 1.760 20 0 GDADRO CSC(C)(C)CNC(=O)C[C@]1(C(=O)NCC(C)(C)SC)CC[NH2+]C1 ZINC000261904818 531102430 /nfs/dbraw/zinc/10/24/30/531102430.db2.gz XCYLYDMPMDADJL-QGZVFWFLSA-N 1 0 375.604 1.872 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000261947256 531103586 /nfs/dbraw/zinc/10/35/86/531103586.db2.gz FMIQOYYDQDQNLE-MFKMUULPSA-N 1 0 389.905 1.327 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000261960444 531103622 /nfs/dbraw/zinc/10/36/22/531103622.db2.gz ABWZLAHSWYFLCK-SNVBAGLBSA-N 1 0 380.388 1.770 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000261960600 531103812 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GDADRO C[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000262032570 531105944 /nfs/dbraw/zinc/10/59/44/531105944.db2.gz FGBSZUKZBQXTHT-SNVBAGLBSA-N 1 0 380.297 1.421 20 0 GDADRO CN(Cc1ccc(OC(F)F)cc1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262065879 531107081 /nfs/dbraw/zinc/10/70/81/531107081.db2.gz JAPQCKOEGGVZPN-UHFFFAOYSA-N 1 0 376.425 1.413 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C[NH2+]C)C2)cc1F ZINC000262105620 531108326 /nfs/dbraw/zinc/10/83/26/531108326.db2.gz FFCFXXUXHDDUKM-GFCCVEGCSA-N 1 0 393.506 1.207 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)CCC[NH2+]1 ZINC000262182997 531111536 /nfs/dbraw/zinc/11/15/36/531111536.db2.gz BRJQQYVAIVGLHE-HNNXBMFYSA-N 1 0 376.862 1.158 20 0 GDADRO CCOc1cccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000262191004 531112187 /nfs/dbraw/zinc/11/21/87/531112187.db2.gz CGJAICSIZBVSRB-CQSZACIVSA-N 1 0 381.420 1.200 20 0 GDADRO COC(=O)C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000262218561 531112324 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C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000263159031 531139967 /nfs/dbraw/zinc/13/99/67/531139967.db2.gz YKEOISOPVHGZPF-RYUDHWBXSA-N 1 0 389.568 1.213 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)ccc1Cl ZINC000262508010 531122540 /nfs/dbraw/zinc/12/25/40/531122540.db2.gz LQDMUYYNIVDDIE-WCQYABFASA-N 1 0 375.878 1.032 20 0 GDADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262494980 531122627 /nfs/dbraw/zinc/12/26/27/531122627.db2.gz LGASUNJRPHYOQN-LLVKDONJSA-N 1 0 392.294 1.256 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262526685 531123336 /nfs/dbraw/zinc/12/33/36/531123336.db2.gz LLRVBIBZYZPVMG-ZDUSSCGKSA-N 1 0 384.274 1.581 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000262574926 531124644 /nfs/dbraw/zinc/12/46/44/531124644.db2.gz DVBHQPVBTKTQJQ-UHFFFAOYSA-N 1 0 395.301 1.992 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262590808 531124971 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C[C@H]1[NH2+]CCN(S(=O)(=O)c2cccc(I)c2)[C@@H]1C ZINC000262751664 531128962 /nfs/dbraw/zinc/12/89/62/531128962.db2.gz GMQLSDRCEOVNNE-NXEZZACHSA-N 1 0 380.251 1.662 20 0 GDADRO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000262766121 531129615 /nfs/dbraw/zinc/12/96/15/531129615.db2.gz UHVVDJNGDSNIBD-JTQLQIEISA-N 1 0 391.287 1.498 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1F ZINC000262767943 531130222 /nfs/dbraw/zinc/13/02/22/531130222.db2.gz LGPILCNIIWNICE-BXUZGUMPSA-N 1 0 393.506 1.254 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000262799066 531131251 /nfs/dbraw/zinc/13/12/51/531131251.db2.gz NUFGJWQHKWXKNV-JMSVASOKSA-N 1 0 380.286 1.916 20 0 GDADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000262808351 531131950 /nfs/dbraw/zinc/13/19/50/531131950.db2.gz XJKNBJSBZSHCLI-AWEZNQCLSA-N 1 0 389.543 1.219 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000262820114 531132122 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COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000441963173 531367568 /nfs/dbraw/zinc/36/75/68/531367568.db2.gz XCPMNCYHDXYPBQ-JTQLQIEISA-N 1 0 382.258 1.749 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C1 ZINC000441991121 531368355 /nfs/dbraw/zinc/36/83/55/531368355.db2.gz KOBKIKMHUYVBRP-JTQLQIEISA-N 1 0 390.267 1.777 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)COCC(F)(F)F ZINC000480533866 531371367 /nfs/dbraw/zinc/37/13/67/531371367.db2.gz ZRJMZCDINDVQCB-SNVBAGLBSA-N 1 0 386.440 1.307 20 0 GDADRO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)sc1S(N)(=O)=O ZINC000442290107 531372022 /nfs/dbraw/zinc/37/20/22/531372022.db2.gz IQDVLFLZVOBGSM-LBPRGKRZSA-N 1 0 387.527 1.495 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000266839847 531372589 /nfs/dbraw/zinc/37/25/89/531372589.db2.gz OJNZHPHGTARPIE-AWEZNQCLSA-N 1 0 387.571 1.847 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)s1 ZINC000528711222 531372825 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CCS(=O)(=O)CCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414347444 531441829 /nfs/dbraw/zinc/44/18/29/531441829.db2.gz WIRYXBKQSKUJKS-UHFFFAOYSA-N 1 0 388.555 1.563 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]Cc2c(Br)c(C)nn2C)CC1 ZINC000447933837 531442206 /nfs/dbraw/zinc/44/22/06/531442206.db2.gz VLYARUPCRYZDIF-UHFFFAOYSA-N 1 0 379.324 1.395 20 0 GDADRO NS(=O)(=O)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000414284931 531437835 /nfs/dbraw/zinc/43/78/35/531437835.db2.gz LBGXMGSGBCTYCA-KGLIPLIRSA-N 1 0 388.331 1.813 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000267594352 531437918 /nfs/dbraw/zinc/43/79/18/531437918.db2.gz JZRMRNFZXRCPPR-CHWSQXEVSA-N 1 0 385.555 1.727 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000485667510 531438165 /nfs/dbraw/zinc/43/81/65/531438165.db2.gz AWLPSHSGEUJJPU-ZDUSSCGKSA-N 1 0 379.404 1.787 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000267732074 531447818 /nfs/dbraw/zinc/44/78/18/531447818.db2.gz ADKZKQKTAHFJRS-CQSZACIVSA-N 1 0 388.559 1.245 20 0 GDADRO Cc1nn(C)c(C[NH2+]CCN2CCN(c3ncccn3)CC2)c1Br ZINC000447933198 531442628 /nfs/dbraw/zinc/44/26/28/531442628.db2.gz VJQHLCNXOJTCEP-UHFFFAOYSA-N 1 0 394.321 1.193 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000362079806 531455706 /nfs/dbraw/zinc/45/57/06/531455706.db2.gz QCJQUYCWLNDOGH-VHSXEESVSA-N 1 0 375.853 1.483 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCCNC(=O)c2cccs2)cc1Cl ZINC000414401564 531448867 /nfs/dbraw/zinc/44/88/67/531448867.db2.gz ZJPKQAOXDQOFRZ-UHFFFAOYSA-N 1 0 387.914 1.959 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000415303665 531473281 /nfs/dbraw/zinc/47/32/81/531473281.db2.gz FGCGOCUYNDCNMH-UHFFFAOYSA-N 1 0 376.201 1.863 20 0 GDADRO O=C(COc1ccc(I)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000449701834 531473544 /nfs/dbraw/zinc/47/35/44/531473544.db2.gz CMOYBWSISJBSAV-CYBMUJFWSA-N 1 0 390.221 1.165 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415311674 531473843 /nfs/dbraw/zinc/47/38/43/531473843.db2.gz BMCIVVWDUJMMFP-NSHDSACASA-N 1 0 377.242 1.756 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000415318759 531474481 /nfs/dbraw/zinc/47/44/81/531474481.db2.gz RKMZMIKZVWFNTL-NSHDSACASA-N 1 0 387.221 1.406 20 0 GDADRO CN(CC(=O)N[C@@H](CC[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000449717228 531474618 /nfs/dbraw/zinc/47/46/18/531474618.db2.gz DQCSSUQJBSQKET-NSHDSACASA-N 1 0 387.811 1.356 20 0 GDADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)[C@H]1C ZINC000280132531 531474713 /nfs/dbraw/zinc/47/47/13/531474713.db2.gz DGJAGMRDEMJTOG-FQUUOJAGSA-N 1 0 375.512 1.450 20 0 GDADRO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449726505 531474812 /nfs/dbraw/zinc/47/48/12/531474812.db2.gz XOXKNHNLTFUTBI-NSHDSACASA-N 1 0 378.742 1.334 20 0 GDADRO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449729150 531475158 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O=S1(=O)C[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@H](N2CCOCC2)C1 ZINC000279892658 531459860 /nfs/dbraw/zinc/45/98/60/531459860.db2.gz DIJACLXHWHMCGN-HUUCEWRRSA-N 1 0 393.336 1.623 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000414738272 531462360 /nfs/dbraw/zinc/46/23/60/531462360.db2.gz HWDQLSBQLZNYBV-GFCCVEGCSA-N 1 0 378.445 1.867 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1CNC[C@@H]1C[NH2+]CCN1C ZINC000414971594 531464062 /nfs/dbraw/zinc/46/40/62/531464062.db2.gz WPCUMTOTIMBMKQ-KRWDZBQOSA-N 1 0 378.318 1.936 20 0 GDADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc(I)cc1Cl ZINC000414787234 531464632 /nfs/dbraw/zinc/46/46/32/531464632.db2.gz CAASDPDDLYCRBT-MRVPVSSYSA-N 1 0 383.617 1.728 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2Br)C1 ZINC000414886455 531464712 /nfs/dbraw/zinc/46/47/12/531464712.db2.gz YFVMBVZPTOFJNI-SNVBAGLBSA-N 1 0 387.253 1.907 20 0 GDADRO CS[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCCC2)C[C@@H]1[NH+](C)C ZINC000538095103 531464821 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C[N@@H+]1CCC[C@H](N2CCN([C@@H](C(N)=O)c3ccc(Br)cc3)CC2)C1 ZINC000362946829 531467048 /nfs/dbraw/zinc/46/70/48/531467048.db2.gz ZWAHRACICVCHAW-DLBZAZTESA-N 1 0 395.345 1.687 20 0 GDADRO Cc1c(NC(=O)N[C@H](CC[NH3+])C(F)F)cccc1S(=O)(=O)NC1CC1 ZINC000415232227 531467718 /nfs/dbraw/zinc/46/77/18/531467718.db2.gz PYCRECPQYLGGHX-GFCCVEGCSA-N 1 0 376.429 1.540 20 0 GDADRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449254098 531468371 /nfs/dbraw/zinc/46/83/71/531468371.db2.gz WTIKTRDOTVXVPG-KBRIMQKVSA-N 1 0 388.555 1.644 20 0 GDADRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449254102 531468897 /nfs/dbraw/zinc/46/88/97/531468897.db2.gz WTIKTRDOTVXVPG-XYPHTWIQSA-N 1 0 388.555 1.644 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(F)cc1I ZINC000415252280 531469101 /nfs/dbraw/zinc/46/91/01/531469101.db2.gz NYVAXNXPRXNJJF-VIFPVBQESA-N 1 0 379.173 1.540 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000415260497 531469466 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CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000415282701 531471278 /nfs/dbraw/zinc/47/12/78/531471278.db2.gz LIZMMYXHDUEWOA-UHFFFAOYSA-N 1 0 390.665 1.872 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)C1 ZINC000415288243 531471617 /nfs/dbraw/zinc/47/16/17/531471617.db2.gz YCMJRYBXVJAKIC-LLVKDONJSA-N 1 0 384.274 1.854 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415295018 531472580 /nfs/dbraw/zinc/47/25/80/531472580.db2.gz RHZCXEVCFUUMDU-UHFFFAOYSA-N 1 0 384.152 1.751 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000449694116 531473026 /nfs/dbraw/zinc/47/30/26/531473026.db2.gz FYMNNJFQNHSGDX-CYBMUJFWSA-N 1 0 394.269 1.549 20 0 GDADRO COC[C@]1(CO)CCN(Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000449699938 531473109 /nfs/dbraw/zinc/47/31/09/531473109.db2.gz QOIXHWHOUZEDPJ-MRXNPFEDSA-N 1 0 381.274 1.861 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N(C)C2C[NH2+]C2)c1 ZINC000415366747 531479569 /nfs/dbraw/zinc/47/95/69/531479569.db2.gz ZEODLRCVRNJEMI-UHFFFAOYSA-N 1 0 389.193 1.513 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000415376647 531480524 /nfs/dbraw/zinc/48/05/24/531480524.db2.gz ZBNAQBYNQHSUGA-JTQLQIEISA-N 1 0 387.267 1.245 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415383765 531481383 /nfs/dbraw/zinc/48/13/83/531481383.db2.gz XZGZKCYBYYJFJP-SECBINFHSA-N 1 0 376.201 1.876 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1Br ZINC000415388685 531481468 /nfs/dbraw/zinc/48/14/68/531481468.db2.gz YQNGAVXGRGNGOE-VIFPVBQESA-N 1 0 386.246 1.273 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415546089 531493292 /nfs/dbraw/zinc/49/32/92/531493292.db2.gz XLLJLMOJRAYGCO-MNOVXSKESA-N 1 0 387.889 1.268 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Br)ccc2OC)CC1 ZINC000415399281 531482534 /nfs/dbraw/zinc/48/25/34/531482534.db2.gz MIRWPNQPJBGYCH-UHFFFAOYSA-N 1 0 384.274 1.854 20 0 GDADRO CCCN(C(=O)C(=O)N1CCc2ccc(Br)cc21)[C@H]1CC[NH2+]C1 ZINC000415390238 531482568 /nfs/dbraw/zinc/48/25/68/531482568.db2.gz HGJBOLJYBDJHOD-AWEZNQCLSA-N 1 0 380.286 1.939 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000415400330 531483466 /nfs/dbraw/zinc/48/34/66/531483466.db2.gz VYDSJKKTCXJKRI-NSHDSACASA-N 1 0 384.274 1.854 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000415406778 531483544 /nfs/dbraw/zinc/48/35/44/531483544.db2.gz AKZUVXLOYMBMRR-JTQLQIEISA-N 1 0 390.267 1.777 20 0 GDADRO C[C@@]1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCO[C@H]1C1CC1 ZINC000544178493 531485461 /nfs/dbraw/zinc/48/54/61/531485461.db2.gz ODVFPTUISHEKFK-JKSUJKDBSA-N 1 0 387.889 1.473 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000415441806 531486056 /nfs/dbraw/zinc/48/60/56/531486056.db2.gz NEZNJWUTTYKHEL-GHMZBOCLSA-N 1 0 384.274 1.982 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000544184243 531486135 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CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000415491006 531489848 /nfs/dbraw/zinc/48/98/48/531489848.db2.gz CTJOWPHARPEXLO-SNVBAGLBSA-N 1 0 375.878 1.316 20 0 GDADRO Cc1ccc(I)cc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415506341 531490774 /nfs/dbraw/zinc/49/07/74/531490774.db2.gz KSTSUTQAKWBQSH-LLVKDONJSA-N 1 0 375.210 1.710 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000415497205 531490989 /nfs/dbraw/zinc/49/09/89/531490989.db2.gz LOCKHCFAVBHJPC-LLVKDONJSA-N 1 0 390.893 1.284 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415528934 531491919 /nfs/dbraw/zinc/49/19/19/531491919.db2.gz SLFBIARYNMUDOE-WDEREUQCSA-N 1 0 384.274 1.982 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415354892 531478239 /nfs/dbraw/zinc/47/82/39/531478239.db2.gz OCHHHEZLMYELRE-LBPRGKRZSA-N 1 0 392.257 1.192 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000268147919 531478399 /nfs/dbraw/zinc/47/83/99/531478399.db2.gz FOZIVNGMZKEWFI-SMDDNHRTSA-N 1 0 378.523 1.588 20 0 GDADRO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)C[C@H](C)[N@H+]1CCO ZINC000450790761 531511046 /nfs/dbraw/zinc/51/10/46/531511046.db2.gz HCGIODXWDHIMHY-PHIMTYICSA-N 1 0 381.420 1.244 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415674961 531511611 /nfs/dbraw/zinc/51/16/11/531511611.db2.gz PHVLUWXVBZWTEU-PHIMTYICSA-N 1 0 382.258 1.382 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(I)c1 ZINC000415666745 531511902 /nfs/dbraw/zinc/51/19/02/531511902.db2.gz XHTFAJFHCXCESP-JOYOIKCWSA-N 1 0 387.221 1.344 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000415684952 531514214 /nfs/dbraw/zinc/51/42/14/531514214.db2.gz YLQOTAFJKNSJSS-NSHDSACASA-N 1 0 384.274 1.984 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268445957 531514706 /nfs/dbraw/zinc/51/47/06/531514706.db2.gz WLFJNFWHBGCJHB-HUUCEWRRSA-N 1 0 380.286 1.922 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000658539476 531515136 /nfs/dbraw/zinc/51/51/36/531515136.db2.gz BNZKNVBRSWWIDT-UHFFFAOYSA-N 1 0 391.269 1.956 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000415697775 531515957 /nfs/dbraw/zinc/51/59/57/531515957.db2.gz XCLGTHQIARVBOK-MRXNPFEDSA-N 1 0 392.257 1.528 20 0 GDADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415708902 531516557 /nfs/dbraw/zinc/51/65/57/531516557.db2.gz LXAJHZPODWFKLM-LBPRGKRZSA-N 1 0 399.264 1.033 20 0 GDADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415709257 531516644 /nfs/dbraw/zinc/51/66/44/531516644.db2.gz MPXAQCNTBWBVDB-GFCCVEGCSA-N 1 0 399.264 1.033 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000295025702 531516681 /nfs/dbraw/zinc/51/66/81/531516681.db2.gz LCDWYOVOMIOFIO-JTQLQIEISA-N 1 0 379.276 1.595 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000415728174 531519699 /nfs/dbraw/zinc/51/96/99/531519699.db2.gz RLZCUTRPBUXNCR-QGZVFWFLSA-N 1 0 396.285 1.998 20 0 GDADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489992218 531517222 /nfs/dbraw/zinc/51/72/22/531517222.db2.gz YGHGEHYUSNIUSF-OAHLLOKOSA-N 1 0 378.523 1.478 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000280613258 531517440 /nfs/dbraw/zinc/51/74/40/531517440.db2.gz QQOOZBNSLHMFCS-AWEZNQCLSA-N 1 0 389.543 1.088 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000557720354 531517937 /nfs/dbraw/zinc/51/79/37/531517937.db2.gz OVLOAEXOAXVLOU-HNNXBMFYSA-N 1 0 385.917 1.670 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1Cl ZINC000415556353 531494488 /nfs/dbraw/zinc/49/44/88/531494488.db2.gz GRHRVAMYLKGPQS-UHFFFAOYSA-N 1 0 390.267 1.955 20 0 GDADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000489178928 531495264 /nfs/dbraw/zinc/49/52/64/531495264.db2.gz BGXWSKSRVWDIIM-CABCVRRESA-N 1 0 377.551 1.052 20 0 GDADRO COc1cc(I)ccc1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415560788 531495517 /nfs/dbraw/zinc/49/55/17/531495517.db2.gz VMWMJUJOQVUQGP-QMMMGPOBSA-N 1 0 391.209 1.092 20 0 GDADRO COc1ccc(I)c(NC(=O)C(=O)N[C@@H](C)CC[NH3+])c1 ZINC000415560895 531495643 /nfs/dbraw/zinc/49/56/43/531495643.db2.gz VSBAVRDYWIXOMB-QMMMGPOBSA-N 1 0 391.209 1.092 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc3cncc(Br)c32)CCC1 ZINC000415561271 531495728 /nfs/dbraw/zinc/49/57/28/531495728.db2.gz OEDWKYHKUFRYGS-UHFFFAOYSA-N 1 0 377.242 1.933 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000415576994 531497114 /nfs/dbraw/zinc/49/71/14/531497114.db2.gz XBOZVNGNYNDVDW-UHFFFAOYSA-N 1 0 384.274 1.902 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435158 531497762 /nfs/dbraw/zinc/49/77/62/531497762.db2.gz BOKKWVBNZPFUTO-PWSUYJOCSA-N 1 0 376.320 1.841 20 0 GDADRO COc1ncc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c(C)c1Br ZINC000657883829 531497879 /nfs/dbraw/zinc/49/78/79/531497879.db2.gz GHBPGCNWWYNFCM-UHFFFAOYSA-N 1 0 397.273 1.406 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1I ZINC000581548173 531498031 /nfs/dbraw/zinc/49/80/31/531498031.db2.gz WAOOOGAGERFAFM-SNVBAGLBSA-N 1 0 380.251 1.711 20 0 GDADRO COCCOCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280449901 531498356 /nfs/dbraw/zinc/49/83/56/531498356.db2.gz CQUWMABZLLIKOG-JTQLQIEISA-N 1 0 381.292 1.410 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000415583282 531498623 /nfs/dbraw/zinc/49/86/23/531498623.db2.gz JCBWTEXBPLEHKF-ZMLRMANQSA-N 1 0 382.258 1.592 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000415586962 531498717 /nfs/dbraw/zinc/49/87/17/531498717.db2.gz YKYVGMSTOONHLF-UWVGGRQHSA-N 1 0 387.221 1.425 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CCO1 ZINC000415603726 531500744 /nfs/dbraw/zinc/50/07/44/531500744.db2.gz UKUSRKKPWFSZOW-QMMMGPOBSA-N 1 0 376.638 1.227 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363684268 531501482 /nfs/dbraw/zinc/50/14/82/531501482.db2.gz XCZZEPCIXQDSMR-UONOGXRCSA-N 1 0 396.285 1.675 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CCO1 ZINC000415600734 531501564 /nfs/dbraw/zinc/50/15/64/531501564.db2.gz OLQZPVLFMHBDAI-SNVBAGLBSA-N 1 0 377.388 1.308 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415602478 531501906 /nfs/dbraw/zinc/50/19/06/531501906.db2.gz RWBSWCPZRPKNLZ-ZCFIWIBFSA-N 1 0 384.152 1.750 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415627158 531504217 /nfs/dbraw/zinc/50/42/17/531504217.db2.gz WWSBDTYDXIXBME-SNVBAGLBSA-N 1 0 381.889 1.999 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000658409857 531505972 /nfs/dbraw/zinc/50/59/72/531505972.db2.gz MCSSBQDKWZRCPI-VIFPVBQESA-N 1 0 398.312 1.347 20 0 GDADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000658411760 531506197 /nfs/dbraw/zinc/50/61/97/531506197.db2.gz QGTCEKCEOQGJGT-RXMQYKEDSA-N 1 0 398.666 1.836 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000557015805 531507202 /nfs/dbraw/zinc/50/72/02/531507202.db2.gz QAXCGJFAYIEBAK-GFCCVEGCSA-N 1 0 382.302 1.790 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)C1 ZINC000635750308 531507743 /nfs/dbraw/zinc/50/77/43/531507743.db2.gz MBSIIVZQCNWGTB-WBMJQRKESA-N 1 0 380.286 1.790 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000581667420 531507702 /nfs/dbraw/zinc/50/77/02/531507702.db2.gz RVBCFGRBTWIYII-UHFFFAOYSA-N 1 0 377.304 1.666 20 0 GDADRO Cc1nnc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000658607298 531519318 /nfs/dbraw/zinc/51/93/18/531519318.db2.gz XOXRICHEDWTRPY-UHFFFAOYSA-N 1 0 381.527 1.457 20 0 GDADRO O=C(Nc1ccc(Br)c2cccnc12)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415656153 531508550 /nfs/dbraw/zinc/50/85/50/531508550.db2.gz KTQXECGUURASNP-PHIMTYICSA-N 1 0 389.253 1.614 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)C[S@](C)=O ZINC000294960930 531509722 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COc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415759732 531524760 /nfs/dbraw/zinc/52/47/60/531524760.db2.gz FJEHPORENHBQCV-PWSUYJOCSA-N 1 0 382.258 1.607 20 0 GDADRO CN(Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295128842 531524951 /nfs/dbraw/zinc/52/49/51/531524951.db2.gz OGKPUXDJURAQAF-SJORKVTESA-N 1 0 392.301 1.935 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC000415758315 531525143 /nfs/dbraw/zinc/52/51/43/531525143.db2.gz IAQQQGZAMXSLRG-IWIIMEHWSA-N 1 0 388.251 1.291 20 0 GDADRO O=C(Nc1cccc2cc(Br)cnc21)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415759612 531525830 /nfs/dbraw/zinc/52/58/30/531525830.db2.gz KJONNEOQJJRJFI-YABSGUDNSA-N 1 0 375.226 1.270 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc(I)c1 ZINC000415770446 531526673 /nfs/dbraw/zinc/52/66/73/531526673.db2.gz BMXFLMAHLXDGPG-SECBINFHSA-N 1 0 375.210 1.473 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000658777927 531529530 /nfs/dbraw/zinc/52/95/30/531529530.db2.gz JQUUHWKSLGRPIV-LBPRGKRZSA-N 1 0 387.889 1.283 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415785824 531530142 /nfs/dbraw/zinc/53/01/42/531530142.db2.gz NSQZMDIBDYDTEG-SNVBAGLBSA-N 1 0 380.246 1.427 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000415786836 531530294 /nfs/dbraw/zinc/53/02/94/531530294.db2.gz MJDKASKVFFPLBH-VIFPVBQESA-N 1 0 386.246 1.336 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])cc(Br)c1F ZINC000415789425 531531964 /nfs/dbraw/zinc/53/19/64/531531964.db2.gz QZIMOEFUBVDYDP-NKWVEPMBSA-N 1 0 390.209 1.165 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000611696242 531536858 /nfs/dbraw/zinc/53/68/58/531536858.db2.gz MWYKFVOTFIGWFD-UHFFFAOYSA-N 1 0 383.246 1.218 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[NH2+]1 ZINC000415823569 531537163 /nfs/dbraw/zinc/53/71/63/531537163.db2.gz QOMUPHWKYPVFFI-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO CC[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280773894 531537512 /nfs/dbraw/zinc/53/75/12/531537512.db2.gz GIVVETRKLIEBJU-ZBFHGGJFSA-N 1 0 389.949 1.746 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659082679 531537799 /nfs/dbraw/zinc/53/77/99/531537799.db2.gz PXPDJTJQGDANGU-UHFFFAOYSA-N 1 0 380.189 1.018 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)c2cc(Br)ccc21 ZINC000659080374 531538655 /nfs/dbraw/zinc/53/86/55/531538655.db2.gz DPYRAWACCOBFSY-ZDUSSCGKSA-N 1 0 380.286 1.927 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)[C@@H](C)C[NH2+]1 ZINC000659083117 531538917 /nfs/dbraw/zinc/53/89/17/531538917.db2.gz VDAPQYNWEWLDGB-YUMQZZPRSA-N 1 0 376.201 1.875 20 0 GDADRO O=C(Nc1ccc(F)c(Br)c1F)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000659087181 531539967 /nfs/dbraw/zinc/53/99/67/531539967.db2.gz OMUBRGKOINXUTJ-WPRPVWTQSA-N 1 0 388.212 1.876 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659087170 531540116 /nfs/dbraw/zinc/54/01/16/531540116.db2.gz HRJBDVYYMPJQDQ-UHFFFAOYSA-N 1 0 376.201 1.924 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659086523 531540127 /nfs/dbraw/zinc/54/01/27/531540127.db2.gz INWOPDXFFFCRAT-MRVPVSSYSA-N 1 0 392.200 1.161 20 0 GDADRO CC[C@@H]1CCc2nc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)sc2C1 ZINC000415844826 531541975 /nfs/dbraw/zinc/54/19/75/531541975.db2.gz UKYMDQAKUSNYTR-LDYMZIIASA-N 1 0 378.420 1.992 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415844183 531542044 /nfs/dbraw/zinc/54/20/44/531542044.db2.gz YYXWRXQTUIYMPK-CYBMUJFWSA-N 1 0 396.285 1.371 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000280806378 531542091 /nfs/dbraw/zinc/54/20/91/531542091.db2.gz GRSVHNZGPIPWAH-LLVKDONJSA-N 1 0 380.290 1.691 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)cc1Br ZINC000415843020 531542136 /nfs/dbraw/zinc/54/21/36/531542136.db2.gz XKMSWFPRMGYYHO-GFCCVEGCSA-N 1 0 384.274 1.499 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1Br ZINC000659100337 531542171 /nfs/dbraw/zinc/54/21/71/531542171.db2.gz MUHDNCYHJMUIFB-UHFFFAOYSA-N 1 0 398.257 1.355 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000659110855 531542807 /nfs/dbraw/zinc/54/28/07/531542807.db2.gz AHHQNSBQVRMAGM-SNVBAGLBSA-N 1 0 380.246 1.297 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415852839 531543186 /nfs/dbraw/zinc/54/31/86/531543186.db2.gz KPSLDYYNNCPHDM-QWHCGFSZSA-N 1 0 395.301 1.939 20 0 GDADRO C[C@@H](NC(=O)c1cc(Br)cc2cccnc21)C(=O)NCC[NH+](C)C ZINC000582251259 531543522 /nfs/dbraw/zinc/54/35/22/531543522.db2.gz PJLJVVFMUCGNIP-LLVKDONJSA-N 1 0 393.285 1.793 20 0 GDADRO O[C@H](C[NH2+]Cc1nc2c(cccc2Br)[nH]1)COC1CCOCC1 ZINC000582236925 531543794 /nfs/dbraw/zinc/54/37/94/531543794.db2.gz TZFSWILFTVTKGA-LLVKDONJSA-N 1 0 384.274 1.972 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCO1 ZINC000415859283 531544559 /nfs/dbraw/zinc/54/45/59/531544559.db2.gz LIFBMDSFHGJAEW-JTQLQIEISA-N 1 0 379.766 1.874 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415859135 531544717 /nfs/dbraw/zinc/54/47/17/531544717.db2.gz AILDFFJUGNNXAN-RYUDHWBXSA-N 1 0 396.285 1.773 20 0 GDADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)cc1Cl ZINC000415867218 531546169 /nfs/dbraw/zinc/54/61/69/531546169.db2.gz WRQYDSIQQHNXRG-SNVBAGLBSA-N 1 0 376.240 1.517 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c(Br)c1 ZINC000415867569 531546201 /nfs/dbraw/zinc/54/62/01/531546201.db2.gz WYTWSCAZGCCAGW-GFCCVEGCSA-N 1 0 384.274 1.581 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000659683737 531553445 /nfs/dbraw/zinc/55/34/45/531553445.db2.gz BDSUUUIKRQXCCW-OCCSQVGLSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415864633 531546347 /nfs/dbraw/zinc/54/63/47/531546347.db2.gz MTFXJYAFSBINNA-ZETCQYMHSA-N 1 0 394.628 1.285 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CCCO1 ZINC000415869248 531546388 /nfs/dbraw/zinc/54/63/88/531546388.db2.gz ZTGSUQYEQVIIEM-SNVBAGLBSA-N 1 0 379.766 1.874 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1Br ZINC000582288827 531546704 /nfs/dbraw/zinc/54/67/04/531546704.db2.gz BTMKWYBVWGYVMB-LBPRGKRZSA-N 1 0 397.317 1.647 20 0 GDADRO O=C(NCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccc(Br)cc1 ZINC000582290142 531546850 /nfs/dbraw/zinc/54/68/50/531546850.db2.gz LXVLBHKYLYCSFF-ZFWWWQNUSA-N 1 0 395.301 1.572 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000364225011 531547280 /nfs/dbraw/zinc/54/72/80/531547280.db2.gz FEBARXCDDTWFJX-ILXRZTDVSA-N 1 0 378.535 1.814 20 0 GDADRO C[C@@H](CS(C)(=O)=O)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659454451 531547861 /nfs/dbraw/zinc/54/78/61/531547861.db2.gz HAGTXTZANBQHOG-JVLSTEMRSA-N 1 0 375.441 1.143 20 0 GDADRO CCC[N@H+](C)[C@@H](CNC(=O)NC[C@H](C)S(N)(=O)=O)c1ccc(Cl)cc1 ZINC000558107665 531548104 /nfs/dbraw/zinc/54/81/04/531548104.db2.gz PBBURQRGVRUADI-WFASDCNBSA-N 1 0 390.937 1.699 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000659480685 531548026 /nfs/dbraw/zinc/54/80/26/531548026.db2.gz BOOGPJKCIKNSCS-FZMZJTMJSA-N 1 0 383.290 1.770 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415874542 531548227 /nfs/dbraw/zinc/54/82/27/531548227.db2.gz AQULNDFEVHWCFM-UHFFFAOYSA-N 1 0 384.152 1.703 20 0 GDADRO C[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1nc(C(F)(F)F)cs1 ZINC000659486488 531548606 /nfs/dbraw/zinc/54/86/06/531548606.db2.gz NIDLFURXCFPJRG-ZCFIWIBFSA-N 1 0 376.364 1.677 20 0 GDADRO Cc1nn(C)c(NC(=O)C(=O)N(C)CC[NH3+])c1-c1ccc(Br)cc1 ZINC000415875765 531548687 /nfs/dbraw/zinc/54/86/87/531548687.db2.gz DPJWZOQUFIUDPH-UHFFFAOYSA-N 1 0 394.273 1.514 20 0 GDADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000558125338 531549414 /nfs/dbraw/zinc/54/94/14/531549414.db2.gz CZADCDRLELAVJE-CQSZACIVSA-N 1 0 385.921 1.738 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000659688520 531553662 /nfs/dbraw/zinc/55/36/62/531553662.db2.gz ZSOOTEVZDVMFJJ-QMMMGPOBSA-N 1 0 396.207 1.808 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415881659 531550066 /nfs/dbraw/zinc/55/00/66/531550066.db2.gz VPDSCWRDYDJCTC-UHFFFAOYSA-N 1 0 380.246 1.050 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[N@H+](C)C2CC2)c(F)c1 ZINC000451111353 531550094 /nfs/dbraw/zinc/55/00/94/531550094.db2.gz GMUGHOTVNMBPTH-UHFFFAOYSA-N 1 0 393.506 1.350 20 0 GDADRO O=C(NCCc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000552176741 531552536 /nfs/dbraw/zinc/55/25/36/531552536.db2.gz PZTSFYSQNMPILI-SECBINFHSA-N 1 0 376.404 1.174 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000582060315 531533435 /nfs/dbraw/zinc/53/34/35/531533435.db2.gz CBRTYDXLERROQZ-CYBMUJFWSA-N 1 0 382.237 1.862 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415805590 531533806 /nfs/dbraw/zinc/53/38/06/531533806.db2.gz KOEWRNAAOPBBLS-RNFRBKRXSA-N 1 0 390.209 1.165 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C[C@@H]1[NH3+] ZINC000658972850 531533780 /nfs/dbraw/zinc/53/37/80/531533780.db2.gz CCGJRCHVELZRJP-JMSVASOKSA-N 1 0 380.286 1.998 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cccc(F)c1I ZINC000415809051 531534903 /nfs/dbraw/zinc/53/49/03/531534903.db2.gz OUOVTLZORCPGBF-RQJHMYQMSA-N 1 0 379.173 1.221 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CC2CC(F)(F)C2)CC1 ZINC000451143769 531555518 /nfs/dbraw/zinc/55/55/18/531555518.db2.gz GEMVXHYYOBKYSP-GJZGRUSLSA-N 1 0 379.517 1.852 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000659724845 531557357 /nfs/dbraw/zinc/55/73/57/531557357.db2.gz YPKNJBFQDNKHAN-DGCLKSJQSA-N 1 0 380.286 1.856 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCSc3ccccc3Br)CCN2C1=O ZINC000582976827 531559219 /nfs/dbraw/zinc/55/92/19/531559219.db2.gz UXRVQPZPUNJYNT-YPMHNXCESA-N 1 0 398.326 1.702 20 0 GDADRO C[C@@]1(NC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC[NH2+]C1 ZINC000612903321 531559300 /nfs/dbraw/zinc/55/93/00/531559300.db2.gz IXWPWYMIZYFVOH-CQSZACIVSA-N 1 0 379.404 1.660 20 0 GDADRO Cc1nc(-c2ccc(CNC(=O)C(=O)NCC34CC(C3)C[NH2+]4)s2)cs1 ZINC000659742651 531559342 /nfs/dbraw/zinc/55/93/42/531559342.db2.gz BWIQTJJHZLEFDZ-UHFFFAOYSA-N 1 0 376.507 1.664 20 0 GDADRO C[C@]1(C(N)=O)CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000280944435 531559767 /nfs/dbraw/zinc/55/97/67/531559767.db2.gz JCDMABZOYQDXGX-WBMJQRKESA-N 1 0 380.242 1.278 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000659757208 531561157 /nfs/dbraw/zinc/56/11/57/531561157.db2.gz VUIQRKFNUQIZNK-XPTSAGLGSA-N 1 0 392.258 1.757 20 0 GDADRO COc1ccc(Br)cc1C1(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000416160815 531562057 /nfs/dbraw/zinc/56/20/57/531562057.db2.gz PLLHBESJSXEDPZ-CQSZACIVSA-N 1 0 396.329 1.851 20 0 GDADRO C[NH2+]C[C@@](C)(O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000583089724 531563792 /nfs/dbraw/zinc/56/37/92/531563792.db2.gz XTLYSFSFNRGVOE-OAHLLOKOSA-N 1 0 396.340 1.270 20 0 GDADRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000553552215 531566598 /nfs/dbraw/zinc/56/65/98/531566598.db2.gz XUTSVIIOSYOXJG-UHFFFAOYSA-N 1 0 389.543 1.221 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000659682274 531553841 /nfs/dbraw/zinc/55/38/41/531553841.db2.gz JJXOYUPXALXKNJ-OPEGHZNSSA-N 1 0 394.269 1.339 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000636619522 531569279 /nfs/dbraw/zinc/56/92/79/531569279.db2.gz GHMNYFBRALRADA-CYBMUJFWSA-N 1 0 380.286 1.727 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451235829 531574347 /nfs/dbraw/zinc/57/43/47/531574347.db2.gz LJQCZPQBDGBJRA-UHFFFAOYSA-N 1 0 395.294 1.464 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)c(C)s1 ZINC000493476941 531575466 /nfs/dbraw/zinc/57/54/66/531575466.db2.gz PJLNPPJXMQGAHS-CYBMUJFWSA-N 1 0 391.584 1.197 20 0 GDADRO O=S(=O)(N[C@H]1CCCN(CCCO)C1)c1ccc(Br)cc1 ZINC000295443125 531579721 /nfs/dbraw/zinc/57/97/21/531579721.db2.gz YLIRMSKLMZOMFF-ZDUSSCGKSA-N 1 0 377.304 1.574 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc2ncc(Br)cn2n1 ZINC000636807082 531580736 /nfs/dbraw/zinc/58/07/36/531580736.db2.gz ASUXLOHMUJBXSC-UHFFFAOYSA-N 1 0 398.305 1.922 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000451283480 531583179 /nfs/dbraw/zinc/58/31/79/531583179.db2.gz NKLRHHMVJGTIBR-INIZCTEOSA-N 1 0 388.555 1.584 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCc3cc(Br)ccc3F)CCN2C1=O ZINC000583576333 531585341 /nfs/dbraw/zinc/58/53/41/531585341.db2.gz LPDKIQWSKIMRRN-TZMCWYRMSA-N 1 0 399.264 1.084 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C2 ZINC000614039022 531585616 /nfs/dbraw/zinc/58/56/16/531585616.db2.gz KBZYJWYEBBLSRP-AWEZNQCLSA-N 1 0 383.539 1.455 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493934037 531586049 /nfs/dbraw/zinc/58/60/49/531586049.db2.gz FNKKVCLYWPRVBZ-HOCLYGCPSA-N 1 0 391.896 1.622 20 0 GDADRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281156146 531586731 /nfs/dbraw/zinc/58/67/31/531586731.db2.gz PHPIXCMPWRBTCX-ZJNREGCTSA-N 1 0 397.360 1.904 20 0 GDADRO C[C@@H]1CN(C(=O)c2nn(C)cc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000494131946 531588671 /nfs/dbraw/zinc/58/86/71/531588671.db2.gz YVQZOQKZTDFJEN-TZMCWYRMSA-N 1 0 384.322 1.281 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1nc(Cl)ccc1Cl ZINC000281166044 531587422 /nfs/dbraw/zinc/58/74/22/531587422.db2.gz XGMBAOWWKVPZHF-UHFFFAOYSA-N 1 0 389.283 1.251 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000660034829 531589634 /nfs/dbraw/zinc/58/96/34/531589634.db2.gz WXEMTBJHBIUJBP-RYUDHWBXSA-N 1 0 381.274 1.631 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000660033825 531590103 /nfs/dbraw/zinc/59/01/03/531590103.db2.gz NDKRUENRINURLI-LLVKDONJSA-N 1 0 381.274 1.631 20 0 GDADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000451329571 531590718 /nfs/dbraw/zinc/59/07/18/531590718.db2.gz XOKOMUMATPWCER-FRRDWIJNSA-N 1 0 386.436 1.616 20 0 GDADRO Cc1cc(OC[C@H](O)C[NH2+]CCS(=O)(=O)N(C)C)c(C(C)C)cc1Cl ZINC000583748822 531592456 /nfs/dbraw/zinc/59/24/56/531592456.db2.gz ZWDKSJHTHSWOAG-CQSZACIVSA-N 1 0 392.949 1.993 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000268982311 531594842 /nfs/dbraw/zinc/59/48/42/531594842.db2.gz NMFBUOYVWCAYNJ-LSDHHAIUSA-N 1 0 386.290 1.502 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCC2(F)F)CCN1C1CC[NH+](C)CC1 ZINC000451356506 531595786 /nfs/dbraw/zinc/59/57/86/531595786.db2.gz AZWPDCWRAKJJPS-CABCVRRESA-N 1 0 379.517 1.852 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCc2cc(Br)ccc21 ZINC000614513980 531597669 /nfs/dbraw/zinc/59/76/69/531597669.db2.gz IDQBBWYVWUYFDR-NVXWUHKLSA-N 1 0 378.314 1.985 20 0 GDADRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000281284962 531600613 /nfs/dbraw/zinc/60/06/13/531600613.db2.gz WKCKPARMYNYSEW-QGZVFWFLSA-N 1 0 382.302 1.866 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000416407590 531602492 /nfs/dbraw/zinc/60/24/92/531602492.db2.gz LGVBQUWZSCLGFL-ABAIWWIYSA-N 1 0 387.933 1.969 20 0 GDADRO CCC[C@@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)S(N)(=O)=O ZINC000614743814 531603083 /nfs/dbraw/zinc/60/30/83/531603083.db2.gz BBAPHKYVGJRHME-HIFRSBDPSA-N 1 0 375.922 1.559 20 0 GDADRO O=S(=O)(Cc1cc(F)ccc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660095761 531604840 /nfs/dbraw/zinc/60/48/40/531604840.db2.gz MPPFZYABBYXHAL-OAHLLOKOSA-N 1 0 376.881 1.840 20 0 GDADRO COCCN(C)C(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637119307 531606116 /nfs/dbraw/zinc/60/61/16/531606116.db2.gz RDYNPWFVRMZTNQ-AWEZNQCLSA-N 1 0 376.284 1.817 20 0 GDADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1Cl ZINC000559721549 531608413 /nfs/dbraw/zinc/60/84/13/531608413.db2.gz DPPJHGAIQDYYNC-UHFFFAOYSA-N 1 0 394.324 1.696 20 0 GDADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000615085519 531611158 /nfs/dbraw/zinc/61/11/58/531611158.db2.gz DQULEGHICFCTRO-LBPRGKRZSA-N 1 0 398.301 1.804 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000584064387 531612114 /nfs/dbraw/zinc/61/21/14/531612114.db2.gz ZVJVJGMNDJMMID-GFCCVEGCSA-N 1 0 384.278 1.314 20 0 GDADRO C[C@H](NC(=O)CS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000584053195 531609926 /nfs/dbraw/zinc/60/99/26/531609926.db2.gz BNFYSEWNPLRTFX-NWDGAFQWSA-N 1 0 389.315 1.727 20 0 GDADRO Cc1oc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000281419797 531615984 /nfs/dbraw/zinc/61/59/84/531615984.db2.gz ZWNHFPMSSVLPCV-CYBMUJFWSA-N 1 0 383.495 1.864 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)s1 ZINC000660240611 531614379 /nfs/dbraw/zinc/61/43/79/531614379.db2.gz CASYVSJTHVNMNF-UHFFFAOYSA-N 1 0 386.543 1.317 20 0 GDADRO Cc1c(Br)cncc1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000615238058 531616911 /nfs/dbraw/zinc/61/69/11/531616911.db2.gz PHAPIHZDDRNMRL-UHFFFAOYSA-N 1 0 397.317 1.875 20 0 GDADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269233973 531626893 /nfs/dbraw/zinc/62/68/93/531626893.db2.gz VRRNKDWQDKZIGD-SNVBAGLBSA-N 1 0 377.413 1.432 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000269260302 531630421 /nfs/dbraw/zinc/63/04/21/531630421.db2.gz JDCOPLNHVMKXHK-ZWNOBZJWSA-N 1 0 379.404 1.179 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000495124120 531627624 /nfs/dbraw/zinc/62/76/24/531627624.db2.gz ULNLMSINVIFUMO-LLVKDONJSA-N 1 0 381.274 1.793 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000637599895 531627786 /nfs/dbraw/zinc/62/77/86/531627786.db2.gz KMASKHFUYTXGLF-NUEKZKHPSA-N 1 0 394.313 1.843 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000295845292 531628780 /nfs/dbraw/zinc/62/87/80/531628780.db2.gz JOCGKWMAJCPHHP-YPMHNXCESA-N 1 0 382.511 1.758 20 0 GDADRO O=c1cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)nc2ccc(Br)cn12 ZINC000560183565 531629796 /nfs/dbraw/zinc/62/97/96/531629796.db2.gz MLSZILDPQRXYQI-CXAGYDPISA-N 1 0 391.269 1.604 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000269259112 531629987 /nfs/dbraw/zinc/62/99/87/531629987.db2.gz IPDYKIZPDUZXLC-CYBMUJFWSA-N 1 0 377.304 1.463 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C1 ZINC000660842535 531632838 /nfs/dbraw/zinc/63/28/38/531632838.db2.gz XAUSJUCLQQWZFM-AGIUHOORSA-N 1 0 385.452 1.335 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000497944731 531633421 /nfs/dbraw/zinc/63/34/21/531633421.db2.gz SCTHIDZJLRWNQK-ZIAGYGMSSA-N 1 0 378.853 1.141 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000269276091 531633728 /nfs/dbraw/zinc/63/37/28/531633728.db2.gz OSIFTVJUFDJMTH-ZYHUDNBSSA-N 1 0 381.420 1.472 20 0 GDADRO O=C(c1c(F)cncc1Br)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637814200 531635016 /nfs/dbraw/zinc/63/50/16/531635016.db2.gz IIUOKCBWNUWKNN-LLVKDONJSA-N 1 0 399.264 1.267 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000637799152 531635024 /nfs/dbraw/zinc/63/50/24/531635024.db2.gz REQHBVLYZYVXQX-HUUCEWRRSA-N 1 0 380.286 1.890 20 0 GDADRO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281575522 531634241 /nfs/dbraw/zinc/63/42/41/531634241.db2.gz KTVKYGNPCNNRFQ-MWLCHTKSSA-N 1 0 381.292 1.145 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000281653061 531642626 /nfs/dbraw/zinc/64/26/26/531642626.db2.gz RYTYHIDLNSGGKM-GFCCVEGCSA-N 1 0 381.274 1.854 20 0 GDADRO CS(=O)(=O)c1cccc(CS(=O)(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000451584857 531644885 /nfs/dbraw/zinc/64/48/85/531644885.db2.gz VHQUNIYBCSOSPV-UHFFFAOYSA-N 1 0 388.555 1.776 20 0 GDADRO C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@H]1CCC[C@H]1O ZINC000638171761 531647304 /nfs/dbraw/zinc/64/73/04/531647304.db2.gz XRGYLHUUTSMXBB-DGCLKSJQSA-N 1 0 377.304 1.689 20 0 GDADRO COC(=O)COC[C@@H](C)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000295927734 531636142 /nfs/dbraw/zinc/63/61/42/531636142.db2.gz AJRZAVJOEVVMOE-RISCZKNCSA-N 1 0 385.258 1.722 20 0 GDADRO O=C(C1CC1)N1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000637826105 531636932 /nfs/dbraw/zinc/63/69/32/531636932.db2.gz IDKVDZIRZGUIPI-UHFFFAOYSA-N 1 0 378.274 1.982 20 0 GDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000498709314 531638898 /nfs/dbraw/zinc/63/88/98/531638898.db2.gz IBUWWRHVYFJDPK-LBPRGKRZSA-N 1 0 375.441 1.186 20 0 GDADRO C[C@@H]1CN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000638894819 531669635 /nfs/dbraw/zinc/66/96/35/531669635.db2.gz WHXLJYAEYKHDHK-GHMZBOCLSA-N 1 0 386.265 1.761 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000269342395 531649222 /nfs/dbraw/zinc/64/92/22/531649222.db2.gz PKEVHDZAWAFNAK-CABCVRRESA-N 1 0 391.490 1.102 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000269342396 531649495 /nfs/dbraw/zinc/64/94/95/531649495.db2.gz PKEVHDZAWAFNAK-GJZGRUSLSA-N 1 0 391.490 1.102 20 0 GDADRO CCNS(=O)(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000416503713 531653044 /nfs/dbraw/zinc/65/30/44/531653044.db2.gz QYMWUGAPWFYKDP-UHFFFAOYSA-N 1 0 386.949 1.781 20 0 GDADRO O=C(Cc1ccc(Br)cc1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638476686 531654519 /nfs/dbraw/zinc/65/45/19/531654519.db2.gz GHTYNMPVPHXSDR-UHFFFAOYSA-N 1 0 395.301 1.161 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1F ZINC000416505818 531654529 /nfs/dbraw/zinc/65/45/29/531654529.db2.gz CLTFYNPYBKZQFE-UHFFFAOYSA-N 1 0 381.495 1.206 20 0 GDADRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000451648684 531656135 /nfs/dbraw/zinc/65/61/35/531656135.db2.gz GBYAFLCVTPGMQZ-AWEZNQCLSA-N 1 0 389.543 1.123 20 0 GDADRO CCN(CC[NH3+])C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000638516197 531656600 /nfs/dbraw/zinc/65/66/00/531656600.db2.gz NRNOXVXAWBFYBW-UHFFFAOYSA-N 1 0 387.811 1.444 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)s1 ZINC000638524696 531656982 /nfs/dbraw/zinc/65/69/82/531656982.db2.gz RSIZUCIBQOKTJO-UHFFFAOYSA-N 1 0 379.507 1.855 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cccc(Cl)c2Cl)CC1=O ZINC000560596699 531657111 /nfs/dbraw/zinc/65/71/11/531657111.db2.gz QNHZMEVHOXZCQV-LBPRGKRZSA-N 1 0 388.295 1.902 20 0 GDADRO [NH3+]CCc1nc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)cs1 ZINC000638605924 531660250 /nfs/dbraw/zinc/66/02/50/531660250.db2.gz VBACDKKPOMNPHV-LLVKDONJSA-N 1 0 382.848 1.972 20 0 GDADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638622596 531661744 /nfs/dbraw/zinc/66/17/44/531661744.db2.gz TXAYRYAQVCMNAN-ONGXEEELSA-N 1 0 377.666 1.974 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)s1 ZINC000661899910 531661897 /nfs/dbraw/zinc/66/18/97/531661897.db2.gz YZYYZAFPJPPEBM-CYBMUJFWSA-N 1 0 388.559 1.576 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000638621602 531662936 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C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000638935353 531676619 /nfs/dbraw/zinc/67/66/19/531676619.db2.gz FBKYSBHFLCMBIO-ZWNOBZJWSA-N 1 0 375.288 1.312 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638927488 531676631 /nfs/dbraw/zinc/67/66/31/531676631.db2.gz BABBDYNTETYVOJ-WXHSDQCUSA-N 1 0 387.299 1.432 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000638933926 531677290 /nfs/dbraw/zinc/67/72/90/531677290.db2.gz FXCCEAPXFPIHNJ-WCQYABFASA-N 1 0 389.315 1.951 20 0 GDADRO [NH3+][C@H]1CC[C@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000639026231 531680046 /nfs/dbraw/zinc/68/00/46/531680046.db2.gz GAGGUPRGIXCGBU-HAQNSBGRSA-N 1 0 379.258 1.545 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(F)c(F)cc1Br ZINC000618306990 531681741 /nfs/dbraw/zinc/68/17/41/531681741.db2.gz RMGBTVKBOYDQNW-UHFFFAOYSA-N 1 0 392.244 1.819 20 0 GDADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000662514865 531681744 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O=C(CN1CCC(c2nc(C(F)(F)F)cs2)CC1)N1CCNC(=O)C1 ZINC000296372062 531688136 /nfs/dbraw/zinc/68/81/36/531688136.db2.gz RNTXUHUIYVSQIM-UHFFFAOYSA-N 1 0 376.404 1.300 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000561235218 531688111 /nfs/dbraw/zinc/68/81/11/531688111.db2.gz QQOSNCVOVRWGFZ-UHFFFAOYSA-N 1 0 386.290 1.578 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CCSC1 ZINC000269570071 531694025 /nfs/dbraw/zinc/69/40/25/531694025.db2.gz XTGDOFDBSRZRDB-KRWDZBQOSA-N 1 0 385.555 1.833 20 0 GDADRO CS(=O)(=O)N1CCC(NC(=O)C[NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000639564252 531694259 /nfs/dbraw/zinc/69/42/59/531694259.db2.gz BGAPUPKLFWAWLE-UHFFFAOYSA-N 1 0 385.917 1.459 20 0 GDADRO NS(=O)(=O)CC1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639551704 531695294 /nfs/dbraw/zinc/69/52/94/531695294.db2.gz QYGJFSASAGXIIA-AWEZNQCLSA-N 1 0 397.324 1.734 20 0 GDADRO C[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)Oc1ccc(Br)cc1 ZINC000269600054 531696617 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N[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1Br ZINC000662717343 531693331 /nfs/dbraw/zinc/69/33/31/531693331.db2.gz OAGDGJLJMFDJQK-JYJNAYRXSA-N 1 0 382.302 1.507 20 0 GDADRO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639944687 531711727 /nfs/dbraw/zinc/71/17/27/531711727.db2.gz DUCKAWWSMYQMRY-YKJXYISPSA-N 1 0 394.269 1.761 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000282075755 531700840 /nfs/dbraw/zinc/70/08/40/531700840.db2.gz NQOMZGJZTXFJGX-UHFFFAOYSA-N 1 0 394.273 1.171 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000662989947 531705211 /nfs/dbraw/zinc/70/52/11/531705211.db2.gz AWNNCUNQGTVTNA-BETUJISGSA-N 1 0 378.270 1.278 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)C2 ZINC000662994767 531706112 /nfs/dbraw/zinc/70/61/12/531706112.db2.gz XRWVSZBKHFKBIR-FZMZJTMJSA-N 1 0 396.285 1.174 20 0 GDADRO CN1CC(=O)N(CC[N@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1=O ZINC000639919686 531709232 /nfs/dbraw/zinc/70/92/32/531709232.db2.gz RTNMHMSIBYMACX-CYBMUJFWSA-N 1 0 390.267 1.559 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000269718171 531722790 /nfs/dbraw/zinc/72/27/90/531722790.db2.gz AXCWNVRWXBSOCK-IZZDOVSWSA-N 1 0 389.315 1.796 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1F ZINC000269718629 531723673 /nfs/dbraw/zinc/72/36/73/531723673.db2.gz FJHIKNFIJNZPIG-LBPRGKRZSA-N 1 0 395.522 1.594 20 0 GDADRO O=C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1cccc(I)c1 ZINC000591447863 531724092 /nfs/dbraw/zinc/72/40/92/531724092.db2.gz AZWIMDGLYYRTNK-SMDDNHRTSA-N 1 0 385.249 1.914 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cccc(F)c1S(C)(=O)=O ZINC000640275446 531730235 /nfs/dbraw/zinc/73/02/35/531730235.db2.gz SMLPKFSZIISCLU-LBPRGKRZSA-N 1 0 375.466 1.708 20 0 GDADRO C[NH+]1CCN(C[C@H](O)COc2cccc(F)c2I)CC1 ZINC000591241777 531713003 /nfs/dbraw/zinc/71/30/03/531713003.db2.gz PEWMLSLVBFIDDU-NSHDSACASA-N 1 0 394.228 1.417 20 0 GDADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CCOC2(C[NH2+]C2)C1 ZINC000663491631 531714695 /nfs/dbraw/zinc/71/46/95/531714695.db2.gz KVPQFQWKNUQIKV-UHFFFAOYSA-N 1 0 379.869 1.485 20 0 GDADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCOC2(C[NH2+]C2)C1 ZINC000663487382 531715026 /nfs/dbraw/zinc/71/50/26/531715026.db2.gz GABNHCUHPCQIHN-UHFFFAOYSA-N 1 0 378.226 1.517 20 0 GDADRO O=C(NCCN1CCSCC1)C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000561611268 531715933 /nfs/dbraw/zinc/71/59/33/531715933.db2.gz VVCVCBREGODPPQ-INIZCTEOSA-N 1 0 379.551 1.298 20 0 GDADRO C[C@]1(NC(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC[NH2+]C1 ZINC000663613552 531715998 /nfs/dbraw/zinc/71/59/98/531715998.db2.gz HBTQUZLRJPVTOV-KRWDZBQOSA-N 1 0 382.917 1.700 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000451926072 531716146 /nfs/dbraw/zinc/71/61/46/531716146.db2.gz HHJFIDKBQLHPDQ-JTQLQIEISA-N 1 0 393.303 1.854 20 0 GDADRO NC(=O)N1CCC([NH2+]CCOc2ccc(I)cc2)CC1 ZINC000282179929 531716250 /nfs/dbraw/zinc/71/62/50/531716250.db2.gz GBBLGCRUDYPSPZ-UHFFFAOYSA-N 1 0 389.237 1.803 20 0 GDADRO C[C@@]1(NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CC[NH2+]C1 ZINC000663610918 531716987 /nfs/dbraw/zinc/71/69/87/531716987.db2.gz GWOQXVXOHBQYRI-MRXNPFEDSA-N 1 0 382.251 1.986 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCc1ccc(Br)cc1 ZINC000664153744 531720626 /nfs/dbraw/zinc/72/06/26/531720626.db2.gz RQDICEHKZCCSEI-UHFFFAOYSA-N 1 0 399.333 1.653 20 0 GDADRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000282214026 531721193 /nfs/dbraw/zinc/72/11/93/531721193.db2.gz HMOJQDYMWCHLCO-BSEYFRJRSA-N 1 0 386.539 1.269 20 0 GDADRO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000282214033 531721733 /nfs/dbraw/zinc/72/17/33/531721733.db2.gz HMOJQDYMWCHLCO-LFPIHBKWSA-N 1 0 386.539 1.269 20 0 GDADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000269716827 531722147 /nfs/dbraw/zinc/72/21/47/531722147.db2.gz AQDGHCBWFUUBFW-UHFFFAOYSA-N 1 0 391.331 1.801 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000296867673 531733909 /nfs/dbraw/zinc/73/39/09/531733909.db2.gz GYGPHGFQFVAMEO-XJKSGUPXSA-N 1 0 385.302 1.909 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCCN2CCO[C@@H](C)C2)cc(C)c1Br ZINC000562366284 531749647 /nfs/dbraw/zinc/74/96/47/531749647.db2.gz MUBPBIMGMCCEMC-ZDUSSCGKSA-N 1 0 398.301 1.841 20 0 GDADRO Cn1cc(Br)c(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000640309034 531735143 /nfs/dbraw/zinc/73/51/43/531735143.db2.gz VZZOYFGDXMEQOU-CYBMUJFWSA-N 1 0 380.290 2.477 20 0 GDADRO C[C@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C(C)(C)C[NH+](C)C ZINC000506359748 531737029 /nfs/dbraw/zinc/73/70/29/531737029.db2.gz RQLWUANMIVVGMU-QWHCGFSZSA-N 1 0 391.559 1.158 20 0 GDADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)Cn1cc(Br)cn1 ZINC000620913491 531737046 /nfs/dbraw/zinc/73/70/46/531737046.db2.gz CDRWHRDKHHGZGV-CQSZACIVSA-N 1 0 385.306 1.747 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000665558635 531737389 /nfs/dbraw/zinc/73/73/89/531737389.db2.gz GJBQVWGEHNFLGZ-UHFFFAOYSA-N 1 0 398.305 1.310 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CCOCCO ZINC000296896702 531737555 /nfs/dbraw/zinc/73/75/55/531737555.db2.gz QPVYVKNIJDGTCF-GFCCVEGCSA-N 1 0 389.290 1.403 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)s1 ZINC000416907275 531744560 /nfs/dbraw/zinc/74/45/60/531744560.db2.gz BILXJCUYDNQQKY-CYBMUJFWSA-N 1 0 388.559 1.720 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000416915526 531745267 /nfs/dbraw/zinc/74/52/67/531745267.db2.gz MNSULHWNHFMAKN-JSGCOSHPSA-N 1 0 388.559 1.576 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCCC[NH2+]C2CC2)s1 ZINC000416917269 531745724 /nfs/dbraw/zinc/74/57/24/531745724.db2.gz OIMHZVOTVYUXKY-UHFFFAOYSA-N 1 0 388.559 1.720 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cs1 ZINC000269764714 531746606 /nfs/dbraw/zinc/74/66/06/531746606.db2.gz KQLABFAQJWJPFU-LBPRGKRZSA-N 1 0 376.500 1.050 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000666084790 531747926 /nfs/dbraw/zinc/74/79/26/531747926.db2.gz IGPAOVSDNGMXEF-IUODEOHRSA-N 1 0 395.301 1.855 20 0 GDADRO Cn1cc(Br)c(CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)n1 ZINC000665023627 531732951 /nfs/dbraw/zinc/73/29/51/531732951.db2.gz LSLRAJKDHMRWLJ-GFCCVEGCSA-N 1 0 388.310 1.435 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417099285 531753287 /nfs/dbraw/zinc/75/32/87/531753287.db2.gz HCRDGWGBAMVUIU-CQSZACIVSA-N 1 0 383.334 1.975 20 0 GDADRO [NH3+]C1(CNC(=O)c2ccc(Br)cc2-n2cnnn2)CCCCC1 ZINC000621619677 531753853 /nfs/dbraw/zinc/75/38/53/531753853.db2.gz AEUOSGJLFIVLQR-UHFFFAOYSA-N 1 0 379.262 1.816 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nn1 ZINC000640838886 531766411 /nfs/dbraw/zinc/76/64/11/531766411.db2.gz NMMXYPYBYZIDRM-PWSUYJOCSA-N 1 0 386.283 1.979 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(CC(=O)NCC(=O)Nc1ccccc1Br)C2 ZINC000621779201 531756437 /nfs/dbraw/zinc/75/64/37/531756437.db2.gz BJPCBROUQVDFLX-PXAZEXFGSA-N 1 0 395.301 1.317 20 0 GDADRO O=C(NCCNC(=O)c1ccc(Br)cc1)NCC1=CC[NH2+]CC1 ZINC000417206885 531759095 /nfs/dbraw/zinc/75/90/95/531759095.db2.gz LRYLBUACOZILCA-UHFFFAOYSA-N 1 0 381.274 1.398 20 0 GDADRO NS(=O)(=O)c1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000640748640 531760472 /nfs/dbraw/zinc/76/04/72/531760472.db2.gz PHKUODTYPXEVTE-FZMZJTMJSA-N 1 0 384.527 1.876 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)C1CCCC1 ZINC000417214210 531760845 /nfs/dbraw/zinc/76/08/45/531760845.db2.gz VAUYPIAXLCZZFU-HNNXBMFYSA-N 1 0 397.317 1.996 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621847346 531761418 /nfs/dbraw/zinc/76/14/18/531761418.db2.gz ZQMGDXDAOZOSQA-LBPRGKRZSA-N 1 0 390.228 1.525 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCNc1ncc(Cl)cc1Cl)C2 ZINC000621844359 531761438 /nfs/dbraw/zinc/76/14/38/531761438.db2.gz QBLJVVBDIUPWHL-QLJPJBMISA-N 1 0 386.283 1.256 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000417231936 531761622 /nfs/dbraw/zinc/76/16/22/531761622.db2.gz ZTIAIPDOEDSVDG-ZDUSSCGKSA-N 1 0 385.262 1.147 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000269798393 531763113 /nfs/dbraw/zinc/76/31/13/531763113.db2.gz IOYFRTDVSLBVQH-MEBBXXQBSA-N 1 0 394.273 1.894 20 0 GDADRO Cn1cc(Br)c(=O)c(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000666698504 531764971 /nfs/dbraw/zinc/76/49/71/531764971.db2.gz PCVBVMBWNMUTGX-GFCCVEGCSA-N 1 0 399.289 1.211 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622015738 531765379 /nfs/dbraw/zinc/76/53/79/531765379.db2.gz ZWUVAEISXWMBBS-IUODEOHRSA-N 1 0 392.930 1.387 20 0 GDADRO COCC[NH2+]CCc1cn(Cc2cc3c(cc2Br)OCCO3)nn1 ZINC000640851576 531766791 /nfs/dbraw/zinc/76/67/91/531766791.db2.gz IQKIXFPZHDOANM-UHFFFAOYSA-N 1 0 397.273 1.639 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CCO1 ZINC000667397532 531780469 /nfs/dbraw/zinc/78/04/69/531780469.db2.gz ACMKPUXOXPHBAG-UFBFGSQYSA-N 1 0 377.775 1.455 20 0 GDADRO O=C(NCCn1cc(Br)cn1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000562810169 531780498 /nfs/dbraw/zinc/78/04/98/531780498.db2.gz FURLQHFNPWWJIC-OAHLLOKOSA-N 1 0 378.274 1.832 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000562818852 531780869 /nfs/dbraw/zinc/78/08/69/531780869.db2.gz WHOBTJNRVIVGMG-IINYFYTJSA-N 1 0 385.281 1.778 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000562812151 531780884 /nfs/dbraw/zinc/78/08/84/531780884.db2.gz JUCVTZIUYMBAGR-TYNCELHUSA-N 1 0 385.281 1.647 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CCC[NH2+]C1 ZINC000562821223 531780935 /nfs/dbraw/zinc/78/09/35/531780935.db2.gz BOLXMGIVBDULOK-HDMKZQKVSA-N 1 0 394.313 1.927 20 0 GDADRO C[C@H](CNC(=O)N(CC[NH3+])CCO)Sc1ccc(Br)cc1 ZINC000417573874 531780945 /nfs/dbraw/zinc/78/09/45/531780945.db2.gz HYHULBSTOMNHHE-LLVKDONJSA-N 1 0 376.320 1.892 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000562814227 531781258 /nfs/dbraw/zinc/78/12/58/531781258.db2.gz XNOOZPTYDGUQBF-OKILXGFUSA-N 1 0 385.917 1.885 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)C[C@H]12 ZINC000562821370 531781693 /nfs/dbraw/zinc/78/16/93/531781693.db2.gz REUMODHQMVWVPE-DZQJYWQESA-N 1 0 392.297 1.617 20 0 GDADRO CC[NH2+]Cc1ccn(Cc2cn([C@@H](C)c3ncc(Br)cn3)nn2)n1 ZINC000641176684 531782529 /nfs/dbraw/zinc/78/25/29/531782529.db2.gz OHHQDZIGQSPAIM-NSHDSACASA-N 1 0 391.277 1.794 20 0 GDADRO CCOC(=O)c1sc2ncc(S(=O)(=O)N3CC[C@@H](C[NH3+])C3)cc2c1C ZINC000592367046 531782605 /nfs/dbraw/zinc/78/26/05/531782605.db2.gz MFLQNWCSWDFBSD-NSHDSACASA-N 1 0 383.495 1.751 20 0 GDADRO CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000508216863 531767166 /nfs/dbraw/zinc/76/71/66/531767166.db2.gz RCJJURMCCXZPHU-CQSZACIVSA-N 1 0 375.560 1.995 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(CC(=O)N[C@@H](C)c2ccc(Br)cc2)nn1 ZINC000640847151 531767502 /nfs/dbraw/zinc/76/75/02/531767502.db2.gz ICIONRZVTXLJOR-FZMZJTMJSA-N 1 0 396.289 1.434 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417418137 531767753 /nfs/dbraw/zinc/76/77/53/531767753.db2.gz DIJHXIBCYHUVGQ-JSGCOSHPSA-N 1 0 397.317 1.948 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417403627 531768268 /nfs/dbraw/zinc/76/82/68/531768268.db2.gz DETGTUUVEMRCAO-CQSZACIVSA-N 1 0 385.306 1.996 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)[C@@H]1SC ZINC000592172758 531770162 /nfs/dbraw/zinc/77/01/62/531770162.db2.gz KBLGZDIISNWYBV-FMKPAKJESA-N 1 0 387.527 1.080 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000640884238 531770909 /nfs/dbraw/zinc/77/09/09/531770909.db2.gz LVXXFXSKRQXDIN-GFCCVEGCSA-N 1 0 386.283 1.760 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417438530 531771576 /nfs/dbraw/zinc/77/15/76/531771576.db2.gz UBPCBRMFNRLLHR-IUODEOHRSA-N 1 0 397.317 1.866 20 0 GDADRO O=C(c1n[nH]c2ccc(I)cc21)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592242925 531774304 /nfs/dbraw/zinc/77/43/04/531774304.db2.gz BGISIAYCQCTZKM-NOZJJQNGSA-N 1 0 396.232 1.992 20 0 GDADRO O=C(NCCCNC(=O)c1ccc(Br)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000417464644 531774427 /nfs/dbraw/zinc/77/44/27/531774427.db2.gz QXZZRDASLLPJJA-ZDUSSCGKSA-N 1 0 397.317 1.868 20 0 GDADRO O[C@@H](COc1ccc(Br)cc1)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641190817 531783205 /nfs/dbraw/zinc/78/32/05/531783205.db2.gz AAFCCLPEQRAJLO-IUODEOHRSA-N 1 0 381.274 1.633 20 0 GDADRO CN1CCN(C(=O)c2ccc(I)c(F)c2)[C@H](C[NH3+])C1 ZINC000592309895 531777573 /nfs/dbraw/zinc/77/75/73/531777573.db2.gz ZDOIPBOPESKXRJ-SNVBAGLBSA-N 1 0 377.201 1.145 20 0 GDADRO COC[C@H](OC)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000667350607 531777553 /nfs/dbraw/zinc/77/75/53/531777553.db2.gz MHTQQZSQZNBYIB-HNNXBMFYSA-N 1 0 386.290 1.801 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000297289114 531777966 /nfs/dbraw/zinc/77/79/66/531777966.db2.gz GXZAOFAVNQOHJV-UHFFFAOYSA-N 1 0 383.250 1.070 20 0 GDADRO C[C@H](CN1CCOCC1)N1CCC(O)(c2scnc2Br)CC1 ZINC000366798441 531779098 /nfs/dbraw/zinc/77/90/98/531779098.db2.gz FNMUQBIZVALABA-GFCCVEGCSA-N 1 0 390.347 1.910 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418087431 531801238 /nfs/dbraw/zinc/80/12/38/531801238.db2.gz HCRPCCYMKXEGOL-GXTWGEPZSA-N 1 0 381.274 1.687 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000562841441 531783505 /nfs/dbraw/zinc/78/35/05/531783505.db2.gz MBNWNDXVXMMPIV-WMLDXEAASA-N 1 0 386.539 1.633 20 0 GDADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)NC[C@H]1CCC[NH2+]1 ZINC000417741742 531784310 /nfs/dbraw/zinc/78/43/10/531784310.db2.gz ZKQXHXZJCGBFPE-GFCCVEGCSA-N 1 0 379.262 1.785 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000592386880 531784424 /nfs/dbraw/zinc/78/44/24/531784424.db2.gz UGLZZNSMQSHEDJ-GFCCVEGCSA-N 1 0 391.287 1.656 20 0 GDADRO CN(CCn1cc(Br)cn1)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667802183 531784593 /nfs/dbraw/zinc/78/45/93/531784593.db2.gz IJUMVLOCBKCOFQ-UHFFFAOYSA-N 1 0 379.262 1.850 20 0 GDADRO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000510328662 531785032 /nfs/dbraw/zinc/78/50/32/531785032.db2.gz DKURMDDLAXKEEZ-SQWLQELKSA-N 1 0 387.571 1.965 20 0 GDADRO O[C@H](COc1cccc(Br)c1)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641195910 531785041 /nfs/dbraw/zinc/78/50/41/531785041.db2.gz KPBJQLNMAFNFGV-OCCSQVGLSA-N 1 0 381.274 1.948 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000592435096 531785935 /nfs/dbraw/zinc/78/59/35/531785935.db2.gz RGVDDKWJZLHYPO-OAHLLOKOSA-N 1 0 384.267 1.911 20 0 GDADRO C[C@@H](NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H](C)[NH3+] ZINC000417800761 531786172 /nfs/dbraw/zinc/78/61/72/531786172.db2.gz VTSKTOHNTUAPEI-QWHCGFSZSA-N 1 0 388.559 1.500 20 0 GDADRO COCC[C@@H]([NH3+])Cc1cn(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000641219752 531786553 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[NH3+][C@@H]1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000417941473 531792235 /nfs/dbraw/zinc/79/22/35/531792235.db2.gz ZYNDRLZEIWDUAE-ZJUUUORDSA-N 1 0 380.923 1.249 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623019950 531792291 /nfs/dbraw/zinc/79/22/91/531792291.db2.gz PXRPZKWDCKPZCS-LBPRGKRZSA-N 1 0 393.289 1.839 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623020092 531792499 /nfs/dbraw/zinc/79/24/99/531792499.db2.gz YHYJMNNTVRVAIW-UHFFFAOYSA-N 1 0 381.278 1.887 20 0 GDADRO O=C(NCCSCC(F)(F)F)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417961745 531792886 /nfs/dbraw/zinc/79/28/86/531792886.db2.gz GIEGPVALEIWVNO-GFCCVEGCSA-N 1 0 382.452 1.135 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417987945 531794961 /nfs/dbraw/zinc/79/49/61/531794961.db2.gz PIBGMIHBIURSBC-CJNGLKHVSA-N 1 0 399.333 1.730 20 0 GDADRO CCCCNC(=O)NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511575902 531795063 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1.696 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N[C@@H](C)CC[NH3+])C2=O)ccc1Br ZINC000418016670 531798088 /nfs/dbraw/zinc/79/80/88/531798088.db2.gz RKCUXYJHQVKFIK-SMDDNHRTSA-N 1 0 383.290 1.899 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000641403518 531818129 /nfs/dbraw/zinc/81/81/29/531818129.db2.gz NRAFTWPKSGPUAZ-QLFBSQMISA-N 1 0 379.517 1.565 20 0 GDADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418235286 531818249 /nfs/dbraw/zinc/81/82/49/531818249.db2.gz RZZSGXHBXKPNEC-ZDUSSCGKSA-N 1 0 395.859 1.800 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)NCc1nn(C)cc1I ZINC000418250532 531818811 /nfs/dbraw/zinc/81/88/11/531818811.db2.gz HFAKVDUQYJAPMR-VIFPVBQESA-N 1 0 379.246 1.341 20 0 GDADRO [NH3+][C@H](CNC(=O)NCCOc1ccc(I)cc1)C1CC1 ZINC000418152365 531806328 /nfs/dbraw/zinc/80/63/28/531806328.db2.gz GYPLSUUUQDTBAB-CYBMUJFWSA-N 1 0 389.237 1.707 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NCCOc1ccc(I)cc1)C1CC1 ZINC000418162064 531808251 /nfs/dbraw/zinc/80/82/51/531808251.db2.gz UPFWLGVAWCBCKF-CYBMUJFWSA-N 1 0 389.237 1.707 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000269935437 531808441 /nfs/dbraw/zinc/80/84/41/531808441.db2.gz VGHAWSWFEYXVLL-CZUORRHYSA-N 1 0 386.290 1.885 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418158426 531808541 /nfs/dbraw/zinc/80/85/41/531808541.db2.gz PSWRSZWUGZZDLQ-GWCFXTLKSA-N 1 0 392.884 1.055 20 0 GDADRO CC[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000669072202 531808824 /nfs/dbraw/zinc/80/88/24/531808824.db2.gz PHCPRICMRKLOLM-WFASDCNBSA-N 1 0 388.921 1.387 20 0 GDADRO CCS(=O)(=O)NCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623379581 531812362 /nfs/dbraw/zinc/81/23/62/531812362.db2.gz ZFZNFQYEWPOZLH-UHFFFAOYSA-N 1 0 393.332 1.930 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418168140 531812414 /nfs/dbraw/zinc/81/24/14/531812414.db2.gz KXTNVRWHCJOITR-GFCCVEGCSA-N 1 0 380.873 1.040 20 0 GDADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC000515838172 531812517 /nfs/dbraw/zinc/81/25/17/531812517.db2.gz OCWAKFCFLOTUSA-KRWDZBQOSA-N 1 0 383.901 1.975 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418174968 531812617 /nfs/dbraw/zinc/81/26/17/531812617.db2.gz AIDVOHSIOWQRNA-FZMZJTMJSA-N 1 0 388.921 1.224 20 0 GDADRO C[C@H](C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)S(C)(=O)=O ZINC000563137209 531813219 /nfs/dbraw/zinc/81/32/19/531813219.db2.gz BLKASQWMBSGMPA-GHMZBOCLSA-N 1 0 382.295 1.762 20 0 GDADRO COC[C@](C)(O)CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453256257 531813293 /nfs/dbraw/zinc/81/32/93/531813293.db2.gz MRWXYDNLVIYYMN-QMTHXVAHSA-N 1 0 395.319 1.535 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000623409077 531813739 /nfs/dbraw/zinc/81/37/39/531813739.db2.gz PGALIBGDPWATAN-HIFRSBDPSA-N 1 0 388.559 1.322 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418178112 531814706 /nfs/dbraw/zinc/81/47/06/531814706.db2.gz DYLFGOSJARMDSX-ZDUSSCGKSA-N 1 0 376.910 1.209 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000563158520 531814740 /nfs/dbraw/zinc/81/47/40/531814740.db2.gz CLQDLVSPQAFHRL-OAHLLOKOSA-N 1 0 387.299 1.435 20 0 GDADRO [NH3+]CCc1nc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cs1 ZINC000563160773 531814982 /nfs/dbraw/zinc/81/49/82/531814982.db2.gz OBRZJGKIQJQPSG-LBPRGKRZSA-N 1 0 382.848 1.972 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)NCc2cc3c(c(Br)c2)OCO3)n1 ZINC000515867363 531815088 /nfs/dbraw/zinc/81/50/88/531815088.db2.gz SDVAHTLPKDTQCD-UHFFFAOYSA-N 1 0 395.257 1.866 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)N[C@H]1CCC[NH2+]CC1 ZINC000669579972 531816035 /nfs/dbraw/zinc/81/60/35/531816035.db2.gz VFWFBIQXGIWKOE-LBPRGKRZSA-N 1 0 392.884 1.199 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418203741 531816224 /nfs/dbraw/zinc/81/62/24/531816224.db2.gz WFPUJHQJZCDMJU-ZDUSSCGKSA-N 1 0 394.317 1.676 20 0 GDADRO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)NC[C@H]1CCCC[NH2+]1 ZINC000669578897 531816694 /nfs/dbraw/zinc/81/66/94/531816694.db2.gz IPBZNYVFLWFKLN-CYBMUJFWSA-N 1 0 388.921 1.450 20 0 GDADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418234037 531817633 /nfs/dbraw/zinc/81/76/33/531817633.db2.gz PPEXPKKRFYWISN-QGZVFWFLSA-N 1 0 385.917 1.899 20 0 GDADRO O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)NC[C@@H]1CCC[NH2+]1 ZINC000418363925 531823085 /nfs/dbraw/zinc/82/30/85/531823085.db2.gz ITQMLPWKRGSSKN-OLZOCXBDSA-N 1 0 388.281 1.790 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418379114 531823236 /nfs/dbraw/zinc/82/32/36/531823236.db2.gz GIPVJHNYGACAQN-DGCLKSJQSA-N 1 0 390.297 1.894 20 0 GDADRO [NH3+]C1(CNC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CCC1 ZINC000418527635 531829899 /nfs/dbraw/zinc/82/98/99/531829899.db2.gz QCJCMWCPUAGGBZ-UHFFFAOYSA-N 1 0 386.905 1.237 20 0 GDADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000623992448 531829892 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GDADRO [NH3+]CCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000418511628 531828174 /nfs/dbraw/zinc/82/81/74/531828174.db2.gz PKDUTGRWSJMPOJ-UHFFFAOYSA-N 1 0 392.884 1.234 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)C[C@H]1[NH+](C)C ZINC000283097826 531829281 /nfs/dbraw/zinc/82/92/81/531829281.db2.gz FWSOVHFFTZUTQH-KGLIPLIRSA-N 1 0 389.518 1.194 20 0 GDADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000593187039 531820358 /nfs/dbraw/zinc/82/03/58/531820358.db2.gz CYVZARUFQJCZBX-YNEHKIRRSA-N 1 0 380.539 1.929 20 0 GDADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593396236 531832974 /nfs/dbraw/zinc/83/29/74/531832974.db2.gz BGRCYDOTKKJNKB-MKFDFUSBSA-N 1 0 379.448 1.707 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418631022 531833510 /nfs/dbraw/zinc/83/35/10/531833510.db2.gz SUOMIAVHNZRYMG-PWSUYJOCSA-N 1 0 376.270 1.646 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453919126 531833725 /nfs/dbraw/zinc/83/37/25/531833725.db2.gz DMGJBJYVLYLEEX-GXFFZTMASA-N 1 0 382.258 1.559 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641541569 531833811 /nfs/dbraw/zinc/83/38/11/531833811.db2.gz SLOQKLQKBADWLZ-LLVKDONJSA-N 1 0 388.291 1.207 20 0 GDADRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCCCS(=O)(=O)CC)CC1 ZINC000624212392 531834200 /nfs/dbraw/zinc/83/42/00/531834200.db2.gz GKARUUMOJZUAJK-UHFFFAOYSA-N 1 0 375.535 1.098 20 0 GDADRO O=C(NC[C@H](CO)Cc1cc(Br)ccc1F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418679391 531834582 /nfs/dbraw/zinc/83/45/82/531834582.db2.gz WTLKRKWYZIVOBZ-JWFUOXDNSA-N 1 0 386.265 1.256 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000297924740 531835272 /nfs/dbraw/zinc/83/52/72/531835272.db2.gz UFLHPFQTBBYJEL-GFCCVEGCSA-N 1 0 398.326 1.942 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000418774620 531839251 /nfs/dbraw/zinc/83/92/51/531839251.db2.gz DGCKHHCFXBAVOF-NHYWBVRUSA-N 1 0 398.301 1.708 20 0 GDADRO CSc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000453829153 531830663 /nfs/dbraw/zinc/83/06/63/531830663.db2.gz YUHYOAWLIFWMJY-CYBMUJFWSA-N 1 0 385.917 1.963 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000563396567 531831328 /nfs/dbraw/zinc/83/13/28/531831328.db2.gz FSMNOGDENLDNCV-CYBMUJFWSA-N 1 0 390.299 1.802 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000418616026 531831621 /nfs/dbraw/zinc/83/16/21/531831621.db2.gz KQYBOTXZVZITNL-YRGRVCCFSA-N 1 0 386.290 1.486 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418830427 531848887 /nfs/dbraw/zinc/84/88/87/531848887.db2.gz OMKOPRLZYPWNSY-CQJJVWNLSA-N 1 0 392.297 1.489 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418830356 531849244 /nfs/dbraw/zinc/84/92/44/531849244.db2.gz OIDWXZCTUALWMI-HAQNSBGRSA-N 1 0 386.265 1.806 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000418830396 531849741 /nfs/dbraw/zinc/84/97/41/531849741.db2.gz OLCSOYUNFWRWBH-TWJWRFFLSA-N 1 0 394.313 1.926 20 0 GDADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367614996 531849793 /nfs/dbraw/zinc/84/97/93/531849793.db2.gz JTVVSOUVCCGOBW-CABCVRRESA-N 1 0 387.571 1.995 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000418837224 531850639 /nfs/dbraw/zinc/85/06/39/531850639.db2.gz WAHMOCCLOZSSQP-AULYBMBSSA-N 1 0 398.276 1.900 20 0 GDADRO CC[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000298099091 531851492 /nfs/dbraw/zinc/85/14/92/531851492.db2.gz OMEDNIBQTUZOBD-KBPBESRZSA-N 1 0 387.889 1.394 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2c[nH]c3ccc(Br)cc23)C[C@H]1[NH3+] ZINC000418844650 531851560 /nfs/dbraw/zinc/85/15/60/531851560.db2.gz MPUQLXCNZUGPOD-QMTHXVAHSA-N 1 0 393.285 1.395 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418844716 531851813 /nfs/dbraw/zinc/85/18/13/531851813.db2.gz MWVTVSDBVGXVET-LLVKDONJSA-N 1 0 393.285 1.409 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418844755 531852093 /nfs/dbraw/zinc/85/20/93/531852093.db2.gz LAUQKOPODPSTKQ-GFCCVEGCSA-N 1 0 386.265 1.363 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000418847638 531852832 /nfs/dbraw/zinc/85/28/32/531852832.db2.gz VXJPDGYEAZXDNX-JMSVASOKSA-N 1 0 382.302 1.692 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000418848649 531853896 /nfs/dbraw/zinc/85/38/96/531853896.db2.gz ZLQUEXMWGMJJJV-GZBFAFLISA-N 1 0 396.329 1.940 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cc(Br)ccc2F)n1 ZINC000563575082 531854605 /nfs/dbraw/zinc/85/46/05/531854605.db2.gz KHWIOEONLZSUDO-UHFFFAOYSA-N 1 0 398.236 1.924 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418852054 531854547 /nfs/dbraw/zinc/85/45/47/531854547.db2.gz ULUWUSGTCBLVOH-KRWDZBQOSA-N 1 0 398.276 1.459 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000418848651 531854806 /nfs/dbraw/zinc/85/48/06/531854806.db2.gz ZLQUEXMWGMJJJV-UMVBOHGHSA-N 1 0 396.329 1.940 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cc(Br)ccc2Cl)CCOCC1 ZINC000624386295 531840696 /nfs/dbraw/zinc/84/06/96/531840696.db2.gz FMPWHTVQMANXDZ-UHFFFAOYSA-N 1 0 383.695 1.889 20 0 GDADRO CCCN(C(=O)C(=O)NCc1cc(OC)ccc1Br)[C@@H]1CC[NH2+]C1 ZINC000418789399 531840996 /nfs/dbraw/zinc/84/09/96/531840996.db2.gz WPIRZJQYQIAOFT-CYBMUJFWSA-N 1 0 398.301 1.674 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2cc(F)c(Cl)cc2F)[C@H](C[NH3+])C1 ZINC000418799696 531841239 /nfs/dbraw/zinc/84/12/39/531841239.db2.gz AVOVMADKYJMXBQ-WDEREUQCSA-N 1 0 375.803 1.199 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624387781 531841546 /nfs/dbraw/zinc/84/15/46/531841546.db2.gz AUFFMEBEEXOWPD-UHFFFAOYSA-N 1 0 397.266 1.383 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000624396867 531842416 /nfs/dbraw/zinc/84/24/16/531842416.db2.gz HMNFJGPFEUBPDQ-UHFFFAOYSA-N 1 0 385.711 1.959 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1F ZINC000624405046 531842656 /nfs/dbraw/zinc/84/26/56/531842656.db2.gz ARWDYWWPUCKPKZ-NWDGAFQWSA-N 1 0 393.506 1.396 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000624396327 531843224 /nfs/dbraw/zinc/84/32/24/531843224.db2.gz LXPCSRJZXQEJKS-UHFFFAOYSA-N 1 0 386.905 1.691 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2Br)C1 ZINC000418810269 531844018 /nfs/dbraw/zinc/84/40/18/531844018.db2.gz GYVHIUOQXZPSJL-LLVKDONJSA-N 1 0 386.265 1.792 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000624405977 531844196 /nfs/dbraw/zinc/84/41/96/531844196.db2.gz RXUBSTVNSXDESM-PWSUYJOCSA-N 1 0 389.905 1.469 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCCOCCC[NH3+] ZINC000624408116 531844720 /nfs/dbraw/zinc/84/47/20/531844720.db2.gz DVMABAWWMQYNFS-UHFFFAOYSA-N 1 0 381.292 1.410 20 0 GDADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000641625785 531845516 /nfs/dbraw/zinc/84/55/16/531845516.db2.gz XIPRKZJDCYMTQD-RHSMWYFYSA-N 1 0 388.555 1.831 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418818265 531845797 /nfs/dbraw/zinc/84/57/97/531845797.db2.gz BXCUWAVRXPQFMB-OSAQELSMSA-N 1 0 380.286 1.489 20 0 GDADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)NC/C=C/C[NH3+] ZINC000641867948 531855329 /nfs/dbraw/zinc/85/53/29/531855329.db2.gz XOKPFEJPCGUFHN-NSCUHMNNSA-N 1 0 379.262 1.686 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418816891 531846349 /nfs/dbraw/zinc/84/63/49/531846349.db2.gz ZEOKVZWSTQKNTE-GWOFURMSSA-N 1 0 386.315 1.597 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418826652 531847616 /nfs/dbraw/zinc/84/76/16/531847616.db2.gz BMXLMECBUUJEDJ-ZJUUUORDSA-N 1 0 392.258 1.886 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418828947 531847681 /nfs/dbraw/zinc/84/76/81/531847681.db2.gz IMDQEZFWUGGOSO-BFJAYTPKSA-N 1 0 392.297 1.489 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418830216 531847829 /nfs/dbraw/zinc/84/78/29/531847829.db2.gz FOIPIVSNFLGVKC-VIFPVBQESA-N 1 0 380.247 1.662 20 0 GDADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc21 ZINC000367590381 531847943 /nfs/dbraw/zinc/84/79/43/531847943.db2.gz UGGOSXKIDJQWLQ-ZDUSSCGKSA-N 1 0 383.901 1.137 20 0 GDADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000563839931 531865895 /nfs/dbraw/zinc/86/58/95/531865895.db2.gz FDJFMXUAEKPJFP-KBPBESRZSA-N 1 0 387.933 1.997 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)CC[C@H]1F ZINC000595121745 531866166 /nfs/dbraw/zinc/86/61/66/531866166.db2.gz QLNMDUSWWWTENR-GHMZBOCLSA-N 1 0 384.214 1.351 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418932758 531866188 /nfs/dbraw/zinc/86/61/88/531866188.db2.gz AGYDACDNZUSHRX-OAHLLOKOSA-N 1 0 378.270 1.589 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418943710 531869284 /nfs/dbraw/zinc/86/92/84/531869284.db2.gz ZCANPECAJLOYFY-LBPRGKRZSA-N 1 0 382.302 1.793 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000418940921 531867354 /nfs/dbraw/zinc/86/73/54/531867354.db2.gz JWHZFZWGDZQWSE-WBIUFABUSA-N 1 0 380.286 1.748 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418939137 531867698 /nfs/dbraw/zinc/86/76/98/531867698.db2.gz HCVWLHLGONSWLH-ZFWWWQNUSA-N 1 0 380.286 1.763 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)[C@H]1C ZINC000563958901 531868077 /nfs/dbraw/zinc/86/80/77/531868077.db2.gz AVXLQNLTPBQDKX-ZJUUUORDSA-N 1 0 380.297 1.481 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000418937795 531868163 /nfs/dbraw/zinc/86/81/63/531868163.db2.gz GGTINZUKMOOXRH-RHSMWYFYSA-N 1 0 380.286 1.750 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1C(F)(F)F ZINC000367833351 531869026 /nfs/dbraw/zinc/86/90/26/531869026.db2.gz RIMWOWXQQOTIRX-IUCAKERBSA-N 1 0 384.351 1.470 20 0 GDADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCSCC[C@H]1C ZINC000671627837 531857108 /nfs/dbraw/zinc/85/71/08/531857108.db2.gz XKLSDJQPOJAVOE-CHWSQXEVSA-N 1 0 383.539 1.439 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000642346531 531858678 /nfs/dbraw/zinc/85/86/78/531858678.db2.gz LNKJWCZSBKAKTM-KRWDZBQOSA-N 1 0 398.276 1.807 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000418871235 531858849 /nfs/dbraw/zinc/85/88/49/531858849.db2.gz UZHIQAVENUHRHY-DFBGVHRSSA-N 1 0 398.301 1.591 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000642351406 531858815 /nfs/dbraw/zinc/85/88/15/531858815.db2.gz PCAMIWLXPJGHAU-RISCZKNCSA-N 1 0 396.285 1.647 20 0 GDADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418878724 531860080 /nfs/dbraw/zinc/86/00/80/531860080.db2.gz AULJPBBSLRKZTO-UFBFGSQYSA-N 1 0 386.221 1.088 20 0 GDADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000563666414 531860911 /nfs/dbraw/zinc/86/09/11/531860911.db2.gz KZJVXVCDKIIRBP-CPUCHLNUSA-N 1 0 386.539 1.657 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642712821 531861795 /nfs/dbraw/zinc/86/17/95/531861795.db2.gz QBWFAPDZBIBLRH-AWEZNQCLSA-N 1 0 382.302 1.940 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1cccc(Br)c1 ZINC000642710663 531862225 /nfs/dbraw/zinc/86/22/25/531862225.db2.gz CGKIVFIXBROYIQ-ZOWXZIJZSA-N 1 0 380.286 1.837 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000563698701 531862586 /nfs/dbraw/zinc/86/25/86/531862586.db2.gz RZAADHUCSOHZEX-ZDUSSCGKSA-N 1 0 396.285 1.427 20 0 GDADRO CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1Cl ZINC000564966851 531870735 /nfs/dbraw/zinc/87/07/35/531870735.db2.gz HFHZCZOYHVOCEP-KYZUINATSA-N 1 0 396.296 1.228 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccccc2I)CCCC1 ZINC000595242367 531871566 /nfs/dbraw/zinc/87/15/66/531871566.db2.gz VSZDJGCWNJAZOU-UHFFFAOYSA-N 1 0 387.221 1.617 20 0 GDADRO O=S(=O)(CC1CCS(=O)(=O)CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000367875116 531873570 /nfs/dbraw/zinc/87/35/70/531873570.db2.gz LKXNVQGPMZSHTI-UHFFFAOYSA-N 1 0 392.587 1.385 20 0 GDADRO O=C(NCc1nc2c(cccc2Br)[nH]1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418969328 531874419 /nfs/dbraw/zinc/87/44/19/531874419.db2.gz IVYPIDJDVHHOMS-JTQLQIEISA-N 1 0 394.273 1.057 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000418995088 531876829 /nfs/dbraw/zinc/87/68/29/531876829.db2.gz RCBWAROWGFNVBU-QGZVFWFLSA-N 1 0 380.286 1.586 20 0 GDADRO CCCN(C(=O)C(=O)NCc1ccc(Br)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000418991686 531877303 /nfs/dbraw/zinc/87/73/03/531877303.db2.gz MWRVPBJNLYGGRT-CQSZACIVSA-N 1 0 382.302 1.974 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000419001275 531877629 /nfs/dbraw/zinc/87/76/29/531877629.db2.gz ADZXUDHVGTWLLH-VXGBXAGGSA-N 1 0 398.301 1.751 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1Br ZINC000419005669 531878711 /nfs/dbraw/zinc/87/87/11/531878711.db2.gz GXRIRKBQORYBCM-TUAOUCFPSA-N 1 0 398.301 1.844 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000419012264 531880530 /nfs/dbraw/zinc/88/05/30/531880530.db2.gz VOMPPUZPYZYRIU-NTZNESFSSA-N 1 0 398.301 1.892 20 0 GDADRO O[C@H](C[NH2+]CCc1nnc2n1CCC2)COc1ccc(Br)cc1 ZINC000566106586 531881042 /nfs/dbraw/zinc/88/10/42/531881042.db2.gz UQRYNZXDNDEXBQ-CYBMUJFWSA-N 1 0 381.274 1.559 20 0 GDADRO C[C@H](OC[C@H](O)C[NH2+]C[C@H]1CS(=O)(=O)CCO1)c1ccc(Cl)cc1 ZINC000566111656 531881195 /nfs/dbraw/zinc/88/11/95/531881195.db2.gz KQYXZMDUOXEOCQ-MAZHCROVSA-N 1 0 377.890 1.182 20 0 GDADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@H]1CSCCS1 ZINC000283640916 531881664 /nfs/dbraw/zinc/88/16/64/531881664.db2.gz YNZORQZREIUVHR-UONOGXRCSA-N 1 0 399.607 1.966 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000566248667 531882327 /nfs/dbraw/zinc/88/23/27/531882327.db2.gz HMOPJSMXVZIDSV-LLVKDONJSA-N 1 0 392.308 1.625 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000566249048 531882556 /nfs/dbraw/zinc/88/25/56/531882556.db2.gz KFJINDPLBWLTPL-SNVBAGLBSA-N 1 0 391.193 1.594 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CCc2ccc(Br)cc2)C1 ZINC000419029048 531883023 /nfs/dbraw/zinc/88/30/23/531883023.db2.gz XMPSQOFTRBNEJV-ZFWWWQNUSA-N 1 0 396.329 1.954 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419036367 531884582 /nfs/dbraw/zinc/88/45/82/531884582.db2.gz GJGWSBQVSITVFJ-ZWNOBZJWSA-N 1 0 382.258 1.339 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419024884 531883628 /nfs/dbraw/zinc/88/36/28/531883628.db2.gz RCYUZWDLOGQCBB-JSGCOSHPSA-N 1 0 396.285 1.729 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)Nc1cc(Cl)ccc1Cl ZINC000298391419 531883733 /nfs/dbraw/zinc/88/37/33/531883733.db2.gz DQMPVGLTYDENGQ-MRXNPFEDSA-N 1 0 385.251 1.996 20 0 GDADRO O=C(NCC1(c2ccc(Br)cc2)CCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418942748 531869359 /nfs/dbraw/zinc/86/93/59/531869359.db2.gz XTUVPZCJMQYGNZ-OAHLLOKOSA-N 1 0 394.313 1.855 20 0 GDADRO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000367834326 531869376 /nfs/dbraw/zinc/86/93/76/531869376.db2.gz VNFKDEMZAXDWDN-AGIUHOORSA-N 1 0 376.425 1.219 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000418943046 531869424 /nfs/dbraw/zinc/86/94/24/531869424.db2.gz YFIPKALIUTZBLD-KGLIPLIRSA-N 1 0 384.274 1.030 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000298469787 531891708 /nfs/dbraw/zinc/89/17/08/531891708.db2.gz ZHPAWQVNKVARHY-UHFFFAOYSA-N 1 0 391.921 1.288 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000419052558 531892191 /nfs/dbraw/zinc/89/21/91/531892191.db2.gz HOEPZATUKMZFKB-RNCFNFMXSA-N 1 0 387.267 1.068 20 0 GDADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cncc(Br)c2)CC1 ZINC000298494175 531893337 /nfs/dbraw/zinc/89/33/37/531893337.db2.gz LAWRRMMDIRSJSY-UHFFFAOYSA-N 1 0 384.274 1.849 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCc2cccc(Br)c2Cl)CC[NH2+]1 ZINC000419054248 531893695 /nfs/dbraw/zinc/89/36/95/531893695.db2.gz LNIRESMYEABISM-UHFFFAOYSA-N 1 0 388.693 1.929 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419054276 531893732 /nfs/dbraw/zinc/89/37/32/531893732.db2.gz LQAQLDICCGKOEB-LBPRGKRZSA-N 1 0 384.318 1.940 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000368111251 531893879 /nfs/dbraw/zinc/89/38/79/531893879.db2.gz XHNYGZWWQUAKOQ-HNNXBMFYSA-N 1 0 386.539 1.409 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000419088808 531899585 /nfs/dbraw/zinc/89/95/85/531899585.db2.gz BYQLIRHELSPFCZ-HZMBPMFUSA-N 1 0 386.279 1.673 20 0 GDADRO CC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000283784756 531894641 /nfs/dbraw/zinc/89/46/41/531894641.db2.gz DMALEXOSHOMGKP-UHFFFAOYSA-N 1 0 377.894 1.280 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000647270733 531894772 /nfs/dbraw/zinc/89/47/72/531894772.db2.gz JNDWQTQKFZTCHZ-CQSZACIVSA-N 1 0 391.896 1.628 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1sc2c(c1I)CNC2 ZINC000595949439 531895594 /nfs/dbraw/zinc/89/55/94/531895594.db2.gz DKVRNSXQIMMKKD-CBAPKCEASA-N 1 0 391.278 1.684 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCc1cccc(Br)c1Cl ZINC000419059384 531896391 /nfs/dbraw/zinc/89/63/91/531896391.db2.gz XUIUXFFKXZGTRJ-SNVBAGLBSA-N 1 0 388.693 1.835 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419059823 531896599 /nfs/dbraw/zinc/89/65/99/531896599.db2.gz YNHVGZJTXKKDEE-GPCCPHFNSA-N 1 0 386.265 1.441 20 0 GDADRO O=C(Nc1ccc(Br)cc1F)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000368153561 531896806 /nfs/dbraw/zinc/89/68/06/531896806.db2.gz UBRAYDFYUJPFHI-VIFPVBQESA-N 1 0 381.205 1.924 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000283800697 531896925 /nfs/dbraw/zinc/89/69/25/531896925.db2.gz AOAYFWJKTHLYNN-JKSUJKDBSA-N 1 0 394.313 1.851 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419078035 531897740 /nfs/dbraw/zinc/89/77/40/531897740.db2.gz SIPNHZPYCMAFAH-OLZOCXBDSA-N 1 0 397.317 1.103 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419075893 531897800 /nfs/dbraw/zinc/89/78/00/531897800.db2.gz GVGXYPMTIPJNMW-AWEZNQCLSA-N 1 0 380.286 1.465 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)c2cc(C)ccc2I)nn1C ZINC000595962054 531899032 /nfs/dbraw/zinc/89/90/32/531899032.db2.gz OIMNRFLNMNCPOI-UHFFFAOYSA-N 1 0 384.221 2.353 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000625509044 531899114 /nfs/dbraw/zinc/89/91/14/531899114.db2.gz GAAOOPTXSBBMAB-CQSZACIVSA-N 1 0 391.896 1.846 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1ccc(Br)c(F)c1)C1CCCC1 ZINC000419031637 531884752 /nfs/dbraw/zinc/88/47/52/531884752.db2.gz ALPFXKXRQYWQNB-AWEZNQCLSA-N 1 0 386.265 1.838 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)[C@H](C)C[NH2+]1 ZINC000419036528 531885585 /nfs/dbraw/zinc/88/55/85/531885585.db2.gz BHELHZLQCRLNGG-NXEZZACHSA-N 1 0 375.803 1.766 20 0 GDADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccnc1OCC(F)F ZINC000625216896 531886527 /nfs/dbraw/zinc/88/65/27/531886527.db2.gz UYNCZKKFGGWDPV-CHWSQXEVSA-N 1 0 375.441 1.973 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1)c1nc(C(F)(F)F)cs1 ZINC000419041883 531887217 /nfs/dbraw/zinc/88/72/17/531887217.db2.gz KRQWKPOOJPFYMU-UWVGGRQHSA-N 1 0 378.420 1.797 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1nc(C(F)(F)F)cs1 ZINC000419042163 531887607 /nfs/dbraw/zinc/88/76/07/531887607.db2.gz KZELAMGROOAAPQ-OTYXRUKQSA-N 1 0 376.404 1.551 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000646024100 531888159 /nfs/dbraw/zinc/88/81/59/531888159.db2.gz HLDDALWHLHJQJK-MRXNPFEDSA-N 1 0 385.258 1.707 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CCN2C1=O ZINC000566496442 531888765 /nfs/dbraw/zinc/88/87/65/531888765.db2.gz RNJUREWNSNMFOY-PRHODGIISA-N 1 0 397.806 1.291 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CCN2C1=O ZINC000566496836 531888860 /nfs/dbraw/zinc/88/88/60/531888860.db2.gz UZFVXFUVPFQRNR-WCQYABFASA-N 1 0 392.308 1.011 20 0 GDADRO CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000567610371 531899516 /nfs/dbraw/zinc/89/95/16/531899516.db2.gz FGVBAOXGYDAKHA-NSHDSACASA-N 1 0 380.495 1.512 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419046151 531889504 /nfs/dbraw/zinc/88/95/04/531889504.db2.gz XUVAXDYIZQPOPE-MISXGVKJSA-N 1 0 396.285 1.585 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419046154 531889535 /nfs/dbraw/zinc/88/95/35/531889535.db2.gz XUVAXDYIZQPOPE-WDMOLILDSA-N 1 0 396.285 1.585 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC[C@H]1[NH3+] ZINC000419046448 531889896 /nfs/dbraw/zinc/88/98/96/531889896.db2.gz YDXOSPBZZBIJMW-LERXQTSPSA-N 1 0 396.285 1.585 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000283745839 531890843 /nfs/dbraw/zinc/89/08/43/531890843.db2.gz NOAJQZVVHFVLMR-CQSZACIVSA-N 1 0 398.301 1.847 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000567989814 531906091 /nfs/dbraw/zinc/90/60/91/531906091.db2.gz QMUFDUFKLPOZAX-MRXNPFEDSA-N 1 0 389.949 1.920 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2cc(Br)ccc2C)[C@@H](C[NH3+])C1 ZINC000419167997 531908681 /nfs/dbraw/zinc/90/86/81/531908681.db2.gz RFRPEHJWHXJGLX-HUUCEWRRSA-N 1 0 398.301 1.338 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419171203 531908765 /nfs/dbraw/zinc/90/87/65/531908765.db2.gz XHGJGFHOZDTZLM-OCCSQVGLSA-N 1 0 382.302 1.817 20 0 GDADRO C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000368394317 531909507 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O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000567822973 531902347 /nfs/dbraw/zinc/90/23/47/531902347.db2.gz CHEXGGBSWJKCTB-NEPJUHHUSA-N 1 0 386.221 1.006 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419133023 531903238 /nfs/dbraw/zinc/90/32/38/531903238.db2.gz IFCLBROSZJTFDA-LLVKDONJSA-N 1 0 376.284 1.850 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000567820172 531903234 /nfs/dbraw/zinc/90/32/34/531903234.db2.gz HCHCGACYZFTJPQ-QWRGUYRKSA-N 1 0 394.950 1.543 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCCc2ccc(Br)s2)CC1 ZINC000419124507 531903286 /nfs/dbraw/zinc/90/32/86/531903286.db2.gz ZYOVKPXRJDXFGN-UHFFFAOYSA-N 1 0 388.331 1.627 20 0 GDADRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(Br)o1)C[NH+]1CCCC1 ZINC000283842341 531903607 /nfs/dbraw/zinc/90/36/07/531903607.db2.gz MBYMNZQSHCOBLW-GFCCVEGCSA-N 1 0 386.290 1.849 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419146680 531903812 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[NH3+]C[C@H](NC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)C(F)(F)F ZINC000625899700 531918823 /nfs/dbraw/zinc/91/88/23/531918823.db2.gz ZZRDWXPMOLWBAO-STQMWFEESA-N 1 0 380.798 1.734 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C[NH2+]1 ZINC000625893067 531919106 /nfs/dbraw/zinc/91/91/06/531919106.db2.gz JEIMAKGSLQXGMP-NWDGAFQWSA-N 1 0 398.305 1.943 20 0 GDADRO [NH3+]C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)C(F)(F)F ZINC000625899205 531919429 /nfs/dbraw/zinc/91/94/29/531919429.db2.gz MMKLKRDEPXQODT-ONGXEEELSA-N 1 0 382.745 1.773 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)NCC1(OCCO)CCC(F)(F)CC1)C(F)(F)F ZINC000625898253 531919481 /nfs/dbraw/zinc/91/94/81/531919481.db2.gz KPOZBRUGWLNLID-SNVBAGLBSA-N 1 0 377.354 1.522 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000419260344 531919934 /nfs/dbraw/zinc/91/99/34/531919934.db2.gz NUOJHDPMGJTWJE-RYUDHWBXSA-N 1 0 384.274 1.140 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000569358818 531920951 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C[C@H](CNS(=O)(=O)c1cccc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000298811361 531923307 /nfs/dbraw/zinc/92/33/07/531923307.db2.gz KFPOTNXSCDKRFD-CYBMUJFWSA-N 1 0 379.448 1.867 20 0 GDADRO COC(=O)c1csc(NC(=O)C(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000569748058 531925999 /nfs/dbraw/zinc/92/59/99/531925999.db2.gz KZMWMMRFMYKXPE-UHFFFAOYSA-N 1 0 385.511 1.417 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000368638100 531926710 /nfs/dbraw/zinc/92/67/10/531926710.db2.gz MCHIEOQLZQLASC-UWVGGRQHSA-N 1 0 380.283 1.493 20 0 GDADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000368648776 531926731 /nfs/dbraw/zinc/92/67/31/531926731.db2.gz XIGQQKOWRGLEAT-KKUMJFAQSA-N 1 0 398.276 1.870 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCCc2ccccc2Br)CC1 ZINC000419209955 531914674 /nfs/dbraw/zinc/91/46/74/531914674.db2.gz UJWKDFHDTMOHTH-UHFFFAOYSA-N 1 0 396.329 1.956 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(I)c[nH]1 ZINC000298743882 531914837 /nfs/dbraw/zinc/91/48/37/531914837.db2.gz YFAAFGSAQVEHDO-NSHDSACASA-N 1 0 377.226 1.196 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000270715523 531914910 /nfs/dbraw/zinc/91/49/10/531914910.db2.gz CKQVFYCFRNNKSK-OQPBUACISA-N 1 0 375.853 1.339 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419236916 531916074 /nfs/dbraw/zinc/91/60/74/531916074.db2.gz BIJAUZGNNNTRRE-DGCLKSJQSA-N 1 0 398.326 1.970 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419249461 531916750 /nfs/dbraw/zinc/91/67/50/531916750.db2.gz PFTVODPBYHVKCW-PWSUYJOCSA-N 1 0 384.299 1.662 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)NCc2nn(C)cc2I)CC1 ZINC000456499440 531916843 /nfs/dbraw/zinc/91/68/43/531916843.db2.gz BTVKRZWJDOCCQD-UHFFFAOYSA-N 1 0 390.269 1.761 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419238670 531916881 /nfs/dbraw/zinc/91/68/81/531916881.db2.gz DJPIPTNUBSJSSJ-ZWNOBZJWSA-N 1 0 398.326 1.828 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000419604469 531939544 /nfs/dbraw/zinc/93/95/44/531939544.db2.gz CFTDTJLDCCZEBZ-WCQYABFASA-N 1 0 384.274 1.201 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419362559 531929791 /nfs/dbraw/zinc/92/97/91/531929791.db2.gz ULUOFWDRZXTRKD-UHFFFAOYSA-N 1 0 384.274 1.460 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419360943 531930206 /nfs/dbraw/zinc/93/02/06/531930206.db2.gz SEWHCOUZLQVJDV-ZWNOBZJWSA-N 1 0 384.274 1.270 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419403208 531930889 /nfs/dbraw/zinc/93/08/89/531930889.db2.gz PSIUZHHNPDRBJD-LLVKDONJSA-N 1 0 375.256 1.142 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419409076 531931309 /nfs/dbraw/zinc/93/13/09/531931309.db2.gz YQCIEYHANXDLCJ-MFKMUULPSA-N 1 0 389.283 1.517 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419409008 531931758 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CN1CC[NH+](C[C@H](O)Cn2cc(Br)c(-c3ccc(F)cn3)n2)CC1 ZINC000570301084 531937161 /nfs/dbraw/zinc/93/71/61/531937161.db2.gz YKDFIJOPLCRCKS-ZDUSSCGKSA-N 1 0 398.280 1.455 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419584997 531938369 /nfs/dbraw/zinc/93/83/69/531938369.db2.gz JOZRLPBNTCQYBU-UEKVPHQBSA-N 1 0 380.286 1.748 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419585525 531938578 /nfs/dbraw/zinc/93/85/78/531938578.db2.gz KKCYONUPXJBQAR-IAQYHMDHSA-N 1 0 380.286 1.763 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000419582677 531938630 /nfs/dbraw/zinc/93/86/30/531938630.db2.gz GCUKHCOLYNNXCI-HNNXBMFYSA-N 1 0 380.286 1.763 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2nc(C3CC3)cs2)CC[C@H]1C(F)(F)F ZINC000626861340 531938681 /nfs/dbraw/zinc/93/86/81/531938681.db2.gz NSWIGHGHVRXWAW-NXEZZACHSA-N 1 0 376.404 1.945 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CCSC1 ZINC000270896549 531938832 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CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000369069996 531940829 /nfs/dbraw/zinc/94/08/29/531940829.db2.gz FTVGPDFPBWBLSE-NSHDSACASA-N 1 0 376.320 1.936 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)Oc1cccc(Br)c1 ZINC000419612707 531941276 /nfs/dbraw/zinc/94/12/76/531941276.db2.gz MNWDIGFNGHULLV-YVEFUNNKSA-N 1 0 398.301 1.530 20 0 GDADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419619133 531942712 /nfs/dbraw/zinc/94/27/12/531942712.db2.gz CMHHIGQFAATGGW-BXUZGUMPSA-N 1 0 398.301 1.639 20 0 GDADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NC[C@@H]1COCC[NH2+]1 ZINC000627039016 531942942 /nfs/dbraw/zinc/94/29/42/531942942.db2.gz YPLBYXRMNWLYEM-GFCCVEGCSA-N 1 0 381.274 1.761 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000419620708 531943194 /nfs/dbraw/zinc/94/31/94/531943194.db2.gz QWYUMXGYOXHRMC-VXGBXAGGSA-N 1 0 386.290 1.447 20 0 GDADRO [NH3+]CCCOCCNC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000627029236 531943511 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C[NH2+]CCOCCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000627177126 531946267 /nfs/dbraw/zinc/94/62/67/531946267.db2.gz KFQZZJOTICRFNH-HNNXBMFYSA-N 1 0 386.290 1.768 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000419628350 531946555 /nfs/dbraw/zinc/94/65/55/531946555.db2.gz ZBSRFAWRIRQCPY-OCCSQVGLSA-N 1 0 398.301 1.543 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)[C@H]1CC[NH3+] ZINC000652377797 531946963 /nfs/dbraw/zinc/94/69/63/531946963.db2.gz PTLCPRRKUVEBPU-NHYWBVRUSA-N 1 0 393.506 1.335 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2C[NH2+]C)cc1 ZINC000652381791 531948583 /nfs/dbraw/zinc/94/85/83/531948583.db2.gz QGKPUHHMEHAHMV-UHFFFAOYSA-N 1 0 382.507 1.678 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419653967 531948705 /nfs/dbraw/zinc/94/87/05/531948705.db2.gz RIWXGXXRQKCYDS-KBPBESRZSA-N 1 0 395.301 1.012 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1I ZINC000571088563 531949406 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GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(I)cc1F ZINC000570529408 531940361 /nfs/dbraw/zinc/94/03/61/531940361.db2.gz SRSJSDDNSKTFOV-JTQLQIEISA-N 1 0 393.200 1.468 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000369068697 531940593 /nfs/dbraw/zinc/94/05/93/531940593.db2.gz ZETXRRQSEGYAGE-LLVKDONJSA-N 1 0 391.287 1.656 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000299087107 531956966 /nfs/dbraw/zinc/95/69/66/531956966.db2.gz IBICSGVFJGSTGZ-OAHLLOKOSA-N 1 0 385.555 1.775 20 0 GDADRO O=C(CNC(=O)C1(c2cccc(Br)c2)CCCC1)N1CC[NH2+]CC1 ZINC000572028345 531957360 /nfs/dbraw/zinc/95/73/60/531957360.db2.gz HRUMTWUJKJRHGU-UHFFFAOYSA-N 1 0 394.313 1.809 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000299087103 531957411 /nfs/dbraw/zinc/95/74/11/531957411.db2.gz IBICSGVFJGSTGZ-HNNXBMFYSA-N 1 0 385.555 1.775 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284419861 531957521 /nfs/dbraw/zinc/95/75/21/531957521.db2.gz VDFOLVUMJAWUNP-STQMWFEESA-N 1 0 384.274 1.744 20 0 GDADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000299095942 531957537 /nfs/dbraw/zinc/95/75/37/531957537.db2.gz WIJKUOMZJFMVPA-JKSUJKDBSA-N 1 0 399.333 1.370 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000419703094 531958994 /nfs/dbraw/zinc/95/89/94/531958994.db2.gz VQSWOLDQECQRKD-VIFPVBQESA-N 1 0 388.237 1.746 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284452716 531959342 /nfs/dbraw/zinc/95/93/42/531959342.db2.gz XHISKQSSMLXRJO-LSDHHAIUSA-N 1 0 380.286 1.808 20 0 GDADRO C[N@@H+](Cc1cccc(I)c1)C[C@@H](O)CN1CCOCC1 ZINC000284451540 531959553 /nfs/dbraw/zinc/95/95/53/531959553.db2.gz UJPNZGUQMRGHIK-OAHLLOKOSA-N 1 0 390.265 1.416 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419698922 531959604 /nfs/dbraw/zinc/95/96/04/531959604.db2.gz AXRHNYWFKZIZQC-VIFPVBQESA-N 1 0 378.292 1.040 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)NC[C@H]1CCCC[N@H+]1CCO ZINC000457747021 531959890 /nfs/dbraw/zinc/95/98/90/531959890.db2.gz XVTYPSUOCOGZOB-CYBMUJFWSA-N 1 0 390.315 1.946 20 0 GDADRO CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)s1)C1CC[NH+](C)CC1 ZINC000627619763 531960030 /nfs/dbraw/zinc/96/00/30/531960030.db2.gz UAJGNAJFFKSASJ-UHFFFAOYSA-N 1 0 379.935 1.623 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299115364 531960454 /nfs/dbraw/zinc/96/04/54/531960454.db2.gz WXPDKYRJLQCCQZ-MAZHCROVSA-N 1 0 385.917 1.750 20 0 GDADRO COc1ncc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cc1Cl ZINC000284469925 531960643 /nfs/dbraw/zinc/96/06/43/531960643.db2.gz UHHAYUPXTLYVTF-GXTWGEPZSA-N 1 0 391.921 1.883 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccc(Br)s1 ZINC000419717383 531960809 /nfs/dbraw/zinc/96/08/09/531960809.db2.gz UXUMKNFWRSIDJN-DCAQKATOSA-N 1 0 386.315 1.756 20 0 GDADRO CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000572184117 531961340 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GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000419679584 531953982 /nfs/dbraw/zinc/95/39/82/531953982.db2.gz QURWVNVTPTURBN-CMPLNLGQSA-N 1 0 396.285 1.196 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)C[NH2+]1 ZINC000627477137 531954240 /nfs/dbraw/zinc/95/42/40/531954240.db2.gz RIWRGBWIKFLYEE-IAQYHMDHSA-N 1 0 380.286 1.591 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)C[NH2+]1 ZINC000627479372 531954314 /nfs/dbraw/zinc/95/43/14/531954314.db2.gz AOAMNRDOIAGDMQ-AAEUAGOBSA-N 1 0 380.286 1.591 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)c(F)cc1Br ZINC000571761428 531954447 /nfs/dbraw/zinc/95/44/47/531954447.db2.gz GLNWXIRIOCMHRS-JTQLQIEISA-N 1 0 380.283 1.079 20 0 GDADRO CC(C)[NH+]1CCC(N(C)C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000299167532 531964064 /nfs/dbraw/zinc/96/40/64/531964064.db2.gz ZDXSMRLCIVWZQP-UHFFFAOYSA-N 1 0 381.278 1.832 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419754750 531965326 /nfs/dbraw/zinc/96/53/26/531965326.db2.gz CCDIFIJCDDZZGT-ZDUSSCGKSA-N 1 0 387.311 1.804 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(=O)N1CCC[NH2+]CC1 ZINC000419754703 531965486 /nfs/dbraw/zinc/96/54/86/531965486.db2.gz BSKAFXBJFKNNIA-CYBMUJFWSA-N 1 0 385.295 1.510 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000655246360 531965698 /nfs/dbraw/zinc/96/56/98/531965698.db2.gz ADPDGUAHGNUYGM-TXEJJXNPSA-N 1 0 375.441 1.090 20 0 GDADRO CC(C)[C@@H](CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)N1CCOCC1 ZINC000299214646 531967977 /nfs/dbraw/zinc/96/79/77/531967977.db2.gz HTANWHWKGBJQRW-CQSZACIVSA-N 1 0 389.905 1.074 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000369593838 531968813 /nfs/dbraw/zinc/96/88/13/531968813.db2.gz WSDOPIWBJYJTEC-UHFFFAOYSA-N 1 0 384.889 1.946 20 0 GDADRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000419811940 531972004 /nfs/dbraw/zinc/97/20/04/531972004.db2.gz HRUFJGXWHOLEDK-WBVHZDCISA-N 1 0 387.318 1.897 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419805913 531972366 /nfs/dbraw/zinc/97/23/66/531972366.db2.gz FAWXYSYASKMRJQ-UPJWGTAASA-N 1 0 382.302 1.705 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)Cn2cc(Br)cn2)CC1 ZINC000299268154 531972392 /nfs/dbraw/zinc/97/23/92/531972392.db2.gz LWOLXBIHSFOJHK-UHFFFAOYSA-N 1 0 393.289 1.109 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000419813019 531972692 /nfs/dbraw/zinc/97/26/92/531972692.db2.gz JMFJLMYFHTYCBE-BXUZGUMPSA-N 1 0 382.302 1.649 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419825573 531973486 /nfs/dbraw/zinc/97/34/86/531973486.db2.gz QEIWQLXHIKDKLW-WQVCFCJDSA-N 1 0 394.313 1.849 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000419833659 531974974 /nfs/dbraw/zinc/97/49/74/531974974.db2.gz QJMHBHUVZACSKL-UHFFFAOYSA-N 1 0 380.286 1.920 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419828541 531975003 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CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419841569 531977010 /nfs/dbraw/zinc/97/70/10/531977010.db2.gz KJVOYKOKNAFNDO-AWEZNQCLSA-N 1 0 394.313 1.981 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000419840609 531977132 /nfs/dbraw/zinc/97/71/32/531977132.db2.gz DKIIBJSNRBCJIE-UHFFFAOYSA-N 1 0 382.302 1.881 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000419848326 531978137 /nfs/dbraw/zinc/97/81/37/531978137.db2.gz ULBUDBLAESBGGI-SWLSCSKDSA-N 1 0 398.301 1.463 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1 ZINC000419970692 531991753 /nfs/dbraw/zinc/99/17/53/531991753.db2.gz CEHQTZOVXXZBQG-INIZCTEOSA-N 1 0 387.274 1.668 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000419989995 531992515 /nfs/dbraw/zinc/99/25/15/531992515.db2.gz HITOGTSIUCPEAR-GFCCVEGCSA-N 1 0 398.301 1.672 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1OC ZINC000598727554 531992613 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GDADRO C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1=CC[N@H+](C)CC1 ZINC000272670992 532109627 /nfs/dbraw/zinc/10/96/27/532109627.db2.gz IWMVIMMLHMUXED-GFCCVEGCSA-N 1 0 385.917 1.971 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccncc2Br)CC1 ZINC000272666084 532109951 /nfs/dbraw/zinc/10/99/51/532109951.db2.gz IWPYCALRPLPCLP-CQSZACIVSA-N 1 0 396.289 1.614 20 0 GDADRO CC(=O)N1CC(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)C1 ZINC000425100203 532118935 /nfs/dbraw/zinc/11/89/35/532118935.db2.gz SQFRFKMZQCUVIW-UHFFFAOYSA-N 1 0 397.317 1.864 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(=O)[nH]n2)s1 ZINC000285895734 532118921 /nfs/dbraw/zinc/11/89/21/532118921.db2.gz CMUUTTPOZHFKPC-GFCCVEGCSA-N 1 0 384.527 1.755 20 0 GDADRO Cc1c(Br)cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c(=O)n1C ZINC000285969903 532123418 /nfs/dbraw/zinc/12/34/18/532123418.db2.gz XFOHRYVZOITDTP-ZIAGYGMSSA-N 1 0 384.274 1.001 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000374184001 532113563 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CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000374597377 532130034 /nfs/dbraw/zinc/13/00/34/532130034.db2.gz SUTANVXRCGFHJM-ZNMIVQPWSA-N 1 0 375.535 1.551 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@H](CO)c2ccc(Br)cc2)C1 ZINC000273103840 532134928 /nfs/dbraw/zinc/13/49/28/532134928.db2.gz MPNDGFKQBOOUGN-SWLSCSKDSA-N 1 0 391.331 1.744 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)cs1 ZINC000286194214 532136113 /nfs/dbraw/zinc/13/61/13/532136113.db2.gz BBTYINFLGKEYLT-STQMWFEESA-N 1 0 388.511 1.409 20 0 GDADRO O=C(Nc1cncc(Br)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331779982 532152377 /nfs/dbraw/zinc/15/23/77/532152377.db2.gz HIZARLWEKOFBKZ-LBPRGKRZSA-N 1 0 396.289 1.520 20 0 GDADRO CS[C@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000273539750 532155381 /nfs/dbraw/zinc/15/53/81/532155381.db2.gz SVTJEKGPXMHZTP-RYUDHWBXSA-N 1 0 375.541 1.047 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N(C)C)cc1 ZINC000286322988 532142674 /nfs/dbraw/zinc/14/26/74/532142674.db2.gz HTMGCMZVQKZUGW-CQSZACIVSA-N 1 0 391.559 1.259 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000286364135 532145275 /nfs/dbraw/zinc/14/52/75/532145275.db2.gz AKAUHNUOSMVOPV-OAHLLOKOSA-N 1 0 398.301 1.244 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000273385057 532147579 /nfs/dbraw/zinc/14/75/79/532147579.db2.gz GURAOKYROLZOPI-UHFFFAOYSA-N 1 0 394.946 1.647 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1Cl ZINC000273411826 532149471 /nfs/dbraw/zinc/14/94/71/532149471.db2.gz MYGPEMWGNWRGOR-SGMGOOAPSA-N 1 0 387.889 1.331 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C[C@H]1[NH3+] ZINC000332152695 532166992 /nfs/dbraw/zinc/16/69/92/532166992.db2.gz LWJZWBPEFNNUJJ-YMTOWFKASA-N 1 0 384.249 1.279 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000286511624 532156154 /nfs/dbraw/zinc/15/61/54/532156154.db2.gz OITSEOJDLWHSBJ-FZMZJTMJSA-N 1 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COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000286766519 532174318 /nfs/dbraw/zinc/17/43/18/532174318.db2.gz XYLDKVGEPZAPTK-HNNXBMFYSA-N 1 0 388.295 1.789 20 0 GDADRO CC[N@H+](CCNC(=O)C1CCN(S(=O)(=O)CC)CC1)CCC(F)(F)F ZINC000427208545 532177365 /nfs/dbraw/zinc/17/73/65/532177365.db2.gz GIBANNMWBYETMX-UHFFFAOYSA-N 1 0 387.468 1.439 20 0 GDADRO CSc1ccc(C[NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)s1 ZINC000332277008 532177380 /nfs/dbraw/zinc/17/73/80/532177380.db2.gz JZJOMYMSCWSYKC-UHFFFAOYSA-N 1 0 391.584 1.601 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)[C@@H](C)C[NH2+]1 ZINC000332547690 532194179 /nfs/dbraw/zinc/19/41/79/532194179.db2.gz NWCJNGIBHILIFG-RYUDHWBXSA-N 1 0 398.305 1.895 20 0 GDADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])c1 ZINC000427928302 532194687 /nfs/dbraw/zinc/19/46/87/532194687.db2.gz CKWTVGAZJABDRN-UONOGXRCSA-N 1 0 390.889 1.644 20 0 GDADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000427939526 532194772 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C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000332462847 532188078 /nfs/dbraw/zinc/18/80/78/532188078.db2.gz JRGGNHHOSPQXDL-ZDUSSCGKSA-N 1 0 394.313 1.975 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000332488280 532189621 /nfs/dbraw/zinc/18/96/21/532189621.db2.gz OCURBBYCXHKYFU-MEBBXXQBSA-N 1 0 398.276 1.587 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000332504247 532190835 /nfs/dbraw/zinc/19/08/35/532190835.db2.gz SGLGOPQXKSEBSD-IAQYHMDHSA-N 1 0 380.286 1.448 20 0 GDADRO O=C(c1cc(Br)cs1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428597774 532211712 /nfs/dbraw/zinc/21/17/12/532211712.db2.gz LQGBGLOYTBOIIF-NSHDSACASA-N 1 0 386.315 1.795 20 0 GDADRO O=C(c1ccc(Br)cn1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428603773 532212528 /nfs/dbraw/zinc/21/25/28/532212528.db2.gz WDFDVBQAIWLGLI-LBPRGKRZSA-N 1 0 381.274 1.128 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428614950 532212851 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598999257 /nfs/dbraw/zinc/99/92/57/598999257.db2.gz IOOBEAGIXVJEDY-OKILXGFUSA-N 1 0 392.529 1.821 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000737224734 598999833 /nfs/dbraw/zinc/99/98/33/598999833.db2.gz ZVQRIULBWILNST-ZIAGYGMSSA-N 1 0 378.502 1.716 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000736565577 599008225 /nfs/dbraw/zinc/00/82/25/599008225.db2.gz LVWRNYWCBCWMHX-VXGBXAGGSA-N 1 0 382.465 1.499 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)nc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000738259773 599026141 /nfs/dbraw/zinc/02/61/41/599026141.db2.gz WDZZAMFEGWYNGO-UHFFFAOYSA-N 1 0 389.463 1.925 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738043796 599027156 /nfs/dbraw/zinc/02/71/56/599027156.db2.gz FUOPCAAKBWNVTR-ZDUSSCGKSA-N 1 0 383.481 1.965 20 0 GDADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000822724055 599051385 /nfs/dbraw/zinc/05/13/85/599051385.db2.gz XMOATDOXIUXXHT-LLVKDONJSA-N 1 0 383.378 1.439 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000737487791 599092138 /nfs/dbraw/zinc/09/21/38/599092138.db2.gz NGZFXORGIPRAJU-CQSZACIVSA-N 1 0 397.487 1.011 20 0 GDADRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCO2 ZINC000735671034 599094820 /nfs/dbraw/zinc/09/48/20/599094820.db2.gz ZVAYDALAFZWMKZ-QGZVFWFLSA-N 1 0 394.435 1.689 20 0 GDADRO COc1ccccc1C1(C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737145619 599095714 /nfs/dbraw/zinc/09/57/14/599095714.db2.gz DBRPHTLMXNOWRN-QGZVFWFLSA-N 1 0 378.436 1.723 20 0 GDADRO COc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2=O)cc1 ZINC000737091069 599102239 /nfs/dbraw/zinc/10/22/39/599102239.db2.gz PCMIOKYUXAAYIM-SFHVURJKSA-N 1 0 378.436 1.766 20 0 GDADRO C[C@H](O)C[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736142144 599148398 /nfs/dbraw/zinc/14/83/98/599148398.db2.gz DDUJAGOYBCMJIF-NSHDSACASA-N 1 0 378.502 1.838 20 0 GDADRO 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C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820753172 607301403 /nfs/dbraw/zinc/30/14/03/607301403.db2.gz XEDPWTVBTNIAQX-RHSMWYFYSA-N 1 0 399.499 1.774 20 0 GDADRO C[NH+](C)CCCOc1cccc(NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000821584579 607316949 /nfs/dbraw/zinc/31/69/49/607316949.db2.gz JSRFWACQNNJKNN-AWEZNQCLSA-N 1 0 397.487 1.548 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736239160 599270882 /nfs/dbraw/zinc/27/08/82/599270882.db2.gz WFCZRGFMILKLGC-NONVJHHQSA-N 1 0 383.500 1.730 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000737024406 599279268 /nfs/dbraw/zinc/27/92/68/599279268.db2.gz RRPXTAHCTBRUMS-GFCCVEGCSA-N 1 0 376.461 1.347 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000736757780 599280235 /nfs/dbraw/zinc/28/02/35/599280235.db2.gz CYCRNEJXPUKUAI-INIZCTEOSA-N 1 0 397.414 1.363 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@@H]2CCCn3ccnc32)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290531 599290030 /nfs/dbraw/zinc/29/00/30/599290030.db2.gz PQHGLHRHKLDWKG-HOCLYGCPSA-N 1 0 378.440 1.336 20 0 GDADRO CC(C)N1C(=O)N[C@]2(CC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)C1=O ZINC000735876059 599290449 /nfs/dbraw/zinc/29/04/49/599290449.db2.gz UIBNECOMJKXNFX-IBGZPJMESA-N 1 0 399.455 1.040 20 0 GDADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)[NH+]1CCCC1 ZINC000820021632 607335306 /nfs/dbraw/zinc/33/53/06/607335306.db2.gz XGBRXYVWDCEUEW-OAHLLOKOSA-N 1 0 389.435 1.181 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821180797 607341945 /nfs/dbraw/zinc/34/19/45/607341945.db2.gz HMLLPTIMCYPHSF-LBPRGKRZSA-N 1 0 389.435 1.135 20 0 GDADRO CC[NH+](CC)[C@@H](C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1)c1ccccc1 ZINC000736535373 598258322 /nfs/dbraw/zinc/25/83/22/598258322.db2.gz XDMAIAPXFBPMPO-GOSISDBHSA-N 1 0 394.483 1.873 20 0 GDADRO C[C@H](CNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)[N@H+](C)C1CC1 ZINC000736016774 598270520 /nfs/dbraw/zinc/27/05/20/598270520.db2.gz CSHWQCSMKJSCTO-CQSZACIVSA-N 1 0 384.488 1.181 20 0 GDADRO O[C@H](COCc1ccccc1)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738385923 598274299 /nfs/dbraw/zinc/27/42/99/598274299.db2.gz JEQAVKRRHVAGGJ-SFHVURJKSA-N 1 0 394.479 1.566 20 0 GDADRO COCCN(CC[NH+](C)C)C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736995700 598277816 /nfs/dbraw/zinc/27/78/16/598277816.db2.gz XAULKURKYGBUFG-UHFFFAOYSA-N 1 0 383.909 1.727 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000735856087 598304668 /nfs/dbraw/zinc/30/46/68/598304668.db2.gz BKZASKYGRCISHP-UHFFFAOYSA-N 1 0 390.467 1.178 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@H+](C)C(C)C ZINC000737001553 598305386 /nfs/dbraw/zinc/30/53/86/598305386.db2.gz BKUZDUVWSVGVBE-UHFFFAOYSA-N 1 0 375.477 1.365 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736264902 598325090 /nfs/dbraw/zinc/32/50/90/598325090.db2.gz HKHXQBZDZNYUFQ-STQMWFEESA-N 1 0 375.452 1.925 20 0 GDADRO CC1CC[NH+](CCCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736274721 598325383 /nfs/dbraw/zinc/32/53/83/598325383.db2.gz BLQQZVQLPMOUHR-UHFFFAOYSA-N 1 0 375.452 1.927 20 0 GDADRO CC[N@H+](CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)C1CCCC1 ZINC000736554913 598335075 /nfs/dbraw/zinc/33/50/75/598335075.db2.gz FLZMPHDROQRHKS-UHFFFAOYSA-N 1 0 383.456 1.853 20 0 GDADRO CC[N@H+](CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)[C@H](C)C(C)C ZINC000736554662 598335402 /nfs/dbraw/zinc/33/54/02/598335402.db2.gz ANNLWKKEGXDDIW-CQSZACIVSA-N 1 0 385.472 1.955 20 0 GDADRO CCn1cc(C[N@@H+]2CCCN(c3nnc(C)c(C)c3-c3nn[nH]n3)CC2)cn1 ZINC000736721492 598336726 /nfs/dbraw/zinc/33/67/26/598336726.db2.gz CCBMYZMPHHQMJQ-UHFFFAOYSA-N 1 0 382.476 1.202 20 0 GDADRO CCOCC[N@@H+]1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736618477 598345288 /nfs/dbraw/zinc/34/52/88/598345288.db2.gz LJLTUBKHOVGFHH-OAHLLOKOSA-N 1 0 387.488 1.238 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@H](Cn2cncn2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737843859 598351587 /nfs/dbraw/zinc/35/15/87/598351587.db2.gz NGSHEHFCQBNQED-LBPRGKRZSA-N 1 0 387.473 1.261 20 0 GDADRO COC(=O)c1coc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000736957090 598354105 /nfs/dbraw/zinc/35/41/05/598354105.db2.gz KEEGRSIAKGTRSV-UHFFFAOYSA-N 1 0 396.451 1.954 20 0 GDADRO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737446139 598355389 /nfs/dbraw/zinc/35/53/89/598355389.db2.gz WMXHZMVNRXFNTG-SJORKVTESA-N 1 0 383.456 1.448 20 0 GDADRO O=C(c1occc1COc1cccc(-c2nn[nH]n2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738292229 598358937 /nfs/dbraw/zinc/35/89/37/598358937.db2.gz JSLSAUQQRRFLBR-MRXNPFEDSA-N 1 0 394.435 1.959 20 0 GDADRO CC[C@@H]1CN(CCC(=O)Nc2sccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000736409739 598366966 /nfs/dbraw/zinc/36/69/66/598366966.db2.gz MYTJUHYHMAEPGC-CYBMUJFWSA-N 1 0 393.517 1.299 20 0 GDADRO C[C@@H](O)C[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736146577 598376754 /nfs/dbraw/zinc/37/67/54/598376754.db2.gz IGSSLPCZPQGKIL-RHSMWYFYSA-N 1 0 375.473 1.622 20 0 GDADRO C[NH+](C)Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736771435 598399778 /nfs/dbraw/zinc/39/97/78/598399778.db2.gz LLVCUCNXYPKLQM-UHFFFAOYSA-N 1 0 379.424 1.297 20 0 GDADRO NC(=O)CC[C@@H]1CCC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000737749580 598423988 /nfs/dbraw/zinc/42/39/88/598423988.db2.gz XLDKECIZXCJZDF-AWEZNQCLSA-N 1 0 380.456 1.665 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000736768669 598445800 /nfs/dbraw/zinc/44/58/00/598445800.db2.gz HMTQCCOVHQVDSO-UHFFFAOYSA-N 1 0 393.451 1.088 20 0 GDADRO Cc1cc(C)c(-c2nn[nH]n2)c(NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000737240831 598457785 /nfs/dbraw/zinc/45/77/85/598457785.db2.gz MPOAZYOLXNYTPA-UHFFFAOYSA-N 1 0 394.483 1.782 20 0 GDADRO CC(C)(C)OC(=O)NCC[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735636139 598466036 /nfs/dbraw/zinc/46/60/36/598466036.db2.gz QAAUZWNJBHWWRP-UHFFFAOYSA-N 1 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FC(F)Oc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737639081 598518889 /nfs/dbraw/zinc/51/88/89/598518889.db2.gz NAJLTBCSOOFHGF-LLVKDONJSA-N 1 0 376.371 1.496 20 0 GDADRO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000737108992 598519019 /nfs/dbraw/zinc/51/90/19/598519019.db2.gz MPDONLCWDLCRPR-NWDGAFQWSA-N 1 0 384.444 1.473 20 0 GDADRO FC(F)(F)Oc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737626814 598520593 /nfs/dbraw/zinc/52/05/93/598520593.db2.gz LRPMNZZHZSHKFY-SNVBAGLBSA-N 1 0 394.361 1.793 20 0 GDADRO FC(F)(F)c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737634959 598520791 /nfs/dbraw/zinc/52/07/91/598520791.db2.gz BYWJAUTVXZVVHQ-NSHDSACASA-N 1 0 378.362 1.914 20 0 GDADRO CC(C)[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nnc2ccccn21 ZINC000735733260 598528562 /nfs/dbraw/zinc/52/85/62/598528562.db2.gz GKABJRFKFHDRQO-SWLSCSKDSA-N 1 0 393.459 1.135 20 0 GDADRO COc1ccc(C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737074250 598531161 /nfs/dbraw/zinc/53/11/61/598531161.db2.gz WWJBFUYSMGKHNW-CYBMUJFWSA-N 1 0 382.472 1.681 20 0 GDADRO CCN(C1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1)S(C)(=O)=O ZINC000736512213 598557797 /nfs/dbraw/zinc/55/77/97/598557797.db2.gz NLLUENHSFKDKFY-UHFFFAOYSA-N 1 0 382.465 1.252 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738035489 598595574 /nfs/dbraw/zinc/59/55/74/598595574.db2.gz LOTNYXZDAWXAII-BPQIPLTHSA-N 1 0 381.484 1.579 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735881016 598597644 /nfs/dbraw/zinc/59/76/44/598597644.db2.gz FQDBAPMKQGDMGS-GOSISDBHSA-N 1 0 383.500 1.778 20 0 GDADRO O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738075958 598605073 /nfs/dbraw/zinc/60/50/73/598605073.db2.gz SWYYZVDKNFBKFK-GOSISDBHSA-N 1 0 383.500 1.828 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736859360 598613350 /nfs/dbraw/zinc/61/33/50/598613350.db2.gz GCMSKCNQEFSJPF-GUDVDZBRSA-N 1 0 395.511 1.921 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000736860370 598618715 /nfs/dbraw/zinc/61/87/15/598618715.db2.gz OBBSIMPLSYJYPE-SFHVURJKSA-N 1 0 394.527 1.721 20 0 GDADRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736769398 598624626 /nfs/dbraw/zinc/62/46/26/598624626.db2.gz RHYPIJVSWBHIRX-UHFFFAOYSA-N 1 0 376.440 1.153 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736864520 598626344 /nfs/dbraw/zinc/62/63/44/598626344.db2.gz RLEPCOVFWLPDOE-OAHLLOKOSA-N 1 0 391.479 1.509 20 0 GDADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000736771501 598690330 /nfs/dbraw/zinc/69/03/30/598690330.db2.gz NXKJYLHFUXTOQY-UHFFFAOYSA-N 1 0 390.444 1.546 20 0 GDADRO C[N@H+](CCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000736801641 598692883 /nfs/dbraw/zinc/69/28/83/598692883.db2.gz ZOGRTBYGRXOVAU-UHFFFAOYSA-N 1 0 382.465 1.549 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736456706 598693390 /nfs/dbraw/zinc/69/33/90/598693390.db2.gz HPEKMFUSWZMOHO-CYBMUJFWSA-N 1 0 396.492 1.939 20 0 GDADRO COC[C@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736969263 598758121 /nfs/dbraw/zinc/75/81/21/598758121.db2.gz WBJQIPPEORYIIM-HXUWFJFHSA-N 1 0 383.452 1.933 20 0 GDADRO O=C(CC[NH+]1CCN(Cc2cscn2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737844389 598761738 /nfs/dbraw/zinc/76/17/38/598761738.db2.gz SYZZFJQBTKJPPA-UHFFFAOYSA-N 1 0 398.496 1.470 20 0 GDADRO O=C1[C@@H](N2CCC(C[NH+]3CCCC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738288756 598764061 /nfs/dbraw/zinc/76/40/61/598764061.db2.gz FQCGRJYFULVLQL-IBGZPJMESA-N 1 0 395.511 1.780 20 0 GDADRO CC(C)(O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000735679192 598771320 /nfs/dbraw/zinc/77/13/20/598771320.db2.gz FLNWKIVMDRMNRZ-UHFFFAOYSA-N 1 0 389.410 1.586 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCc2nccn2C1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736133757 598786368 /nfs/dbraw/zinc/78/63/68/598786368.db2.gz SAIQOLCPIFRMHV-GHMZBOCLSA-N 1 0 398.496 1.545 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1COc2ccccc21 ZINC000736766566 598822740 /nfs/dbraw/zinc/82/27/40/598822740.db2.gz BYRRZBJNVWLDLR-GOSISDBHSA-N 1 0 392.463 1.933 20 0 GDADRO COCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000737006732 599294090 /nfs/dbraw/zinc/29/40/90/599294090.db2.gz IPFNYDAZTLCYCK-UHFFFAOYSA-N 1 0 389.410 1.638 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000737033455 599295885 /nfs/dbraw/zinc/29/58/85/599295885.db2.gz PJHRQTCGMAXEAJ-ZFWWWQNUSA-N 1 0 388.472 1.443 20 0 GDADRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000820710938 599302937 /nfs/dbraw/zinc/30/29/37/599302937.db2.gz TXXUDYOTYKZCOW-CQSZACIVSA-N 1 0 387.463 1.529 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)[NH+]1CCCCCC1 ZINC000819858149 599310704 /nfs/dbraw/zinc/31/07/04/599310704.db2.gz ZTGXZWVXNQKFOE-HNNXBMFYSA-N 1 0 384.488 1.175 20 0 GDADRO CNC(=O)c1cccnc1N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736880897 599323915 /nfs/dbraw/zinc/32/39/15/599323915.db2.gz AORUCZCGZDXLSE-UHFFFAOYSA-N 1 0 392.467 1.334 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000822143269 599360707 /nfs/dbraw/zinc/36/07/07/599360707.db2.gz AOZOOXNTAZQHIO-OAHLLOKOSA-N 1 0 390.513 1.672 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823567314 599361355 /nfs/dbraw/zinc/36/13/55/599361355.db2.gz PTSKVKKIWVTNHQ-MRXNPFEDSA-N 1 0 390.513 1.504 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000820433351 599405558 /nfs/dbraw/zinc/40/55/58/599405558.db2.gz YAOKRBAEZLRSLO-GFCCVEGCSA-N 1 0 382.424 1.968 20 0 GDADRO COc1ccc(C[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)cc1-c1nn[nH]n1 ZINC000821818713 599407840 /nfs/dbraw/zinc/40/78/40/599407840.db2.gz ZLCYOOXVFCIYTH-AWEZNQCLSA-N 1 0 395.467 1.785 20 0 GDADRO CC(C)C[NH+]1CCC(NC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820093620 599413364 /nfs/dbraw/zinc/41/33/64/599413364.db2.gz ZZAUARDGIWXAIZ-UHFFFAOYSA-N 1 0 387.488 1.665 20 0 GDADRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420120 607374975 /nfs/dbraw/zinc/37/49/75/607374975.db2.gz MKRFVKCOQHDCEI-LBPRGKRZSA-N 1 0 392.510 1.900 20 0 GDADRO COc1ccc(C[NH2+]CCCNC(=O)c2cccc(O)c2)cc1-c1nn[nH]n1 ZINC000821813765 599422179 /nfs/dbraw/zinc/42/21/79/599422179.db2.gz LLAFDPGIBZDUBU-UHFFFAOYSA-N 1 0 382.424 1.491 20 0 GDADRO C[N@H+](CCN1CCN(c2cccc(-c3nn[nH]n3)n2)CC1)Cc1ccccc1 ZINC000736799296 599429171 /nfs/dbraw/zinc/42/91/71/599429171.db2.gz QQZYOIQSORQZAG-UHFFFAOYSA-N 1 0 378.484 1.516 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(-n2ccnc2)c1 ZINC000820420313 599461625 /nfs/dbraw/zinc/46/16/25/599461625.db2.gz OZOQGCSFXYLTFX-KBPBESRZSA-N 1 0 390.455 1.641 20 0 GDADRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@@H](C)O1 ZINC000736289158 599482771 /nfs/dbraw/zinc/48/27/71/599482771.db2.gz CXXZAJJDVUGFDG-ZIAGYGMSSA-N 1 0 384.488 1.492 20 0 GDADRO OC[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc(F)cc1 ZINC000738388812 599487286 /nfs/dbraw/zinc/48/72/86/599487286.db2.gz GQJOOZDDPSNTNN-CQSZACIVSA-N 1 0 381.415 1.594 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000822204436 599529218 /nfs/dbraw/zinc/52/92/18/599529218.db2.gz OTKUIQYUBLJIPN-CHWSQXEVSA-N 1 0 385.447 1.805 20 0 GDADRO Clc1ccc2ncc(-c3nn[nH]n3)c(NCC[NH+]3CCSCC3)c2c1 ZINC000822581132 599553956 /nfs/dbraw/zinc/55/39/56/599553956.db2.gz BPCDFIFNXIFBPY-UHFFFAOYSA-N 1 0 375.889 1.951 20 0 GDADRO c1cc(-c2nn[nH]n2)cc(N2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)n1 ZINC000823742603 599566016 /nfs/dbraw/zinc/56/60/16/599566016.db2.gz IUDVCIXXFRBPNP-UHFFFAOYSA-N 1 0 377.452 1.561 20 0 GDADRO C[C@H](O)C[N@H+](C)C1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000820479892 599573340 /nfs/dbraw/zinc/57/33/40/599573340.db2.gz DELXWCMETOJHAR-ZDUSSCGKSA-N 1 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607497176 /nfs/dbraw/zinc/49/71/76/607497176.db2.gz PMXJJNBOOPNLIK-GFCCVEGCSA-N 1 0 384.362 1.518 20 0 GDADRO O=C(COc1cccc(-c2nn[nH]n2)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823044726 607503293 /nfs/dbraw/zinc/50/32/93/607503293.db2.gz ZLSWZJGHFXYVTK-YJBOKZPZSA-N 1 0 382.468 1.721 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000825451518 607512812 /nfs/dbraw/zinc/51/28/12/607512812.db2.gz JDGHZXTVQQSVDD-BLLLJJGKSA-N 1 0 375.452 1.878 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1 ZINC000825451450 607514873 /nfs/dbraw/zinc/51/48/73/607514873.db2.gz IKNUXSDCRNUVPQ-BLLLJJGKSA-N 1 0 375.452 1.878 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)[C@H](C)C1 ZINC000825451453 607515335 /nfs/dbraw/zinc/51/53/35/607515335.db2.gz IKNUXSDCRNUVPQ-MLGOLLRUSA-N 1 0 375.452 1.878 20 0 GDADRO CCn1ccnc1CN1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)CC1 ZINC000825805081 607525965 /nfs/dbraw/zinc/52/59/65/607525965.db2.gz 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IJWZAUBLZILDJO-RVKKMQEKSA-N 1 0 384.484 1.509 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)Cc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000821904527 606552688 /nfs/dbraw/zinc/55/26/88/606552688.db2.gz WYHQKOHQFGBYKV-UHFFFAOYSA-N 1 0 379.424 1.162 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000821581023 606584888 /nfs/dbraw/zinc/58/48/88/606584888.db2.gz AXVDYHCTZKXJFI-HIFRSBDPSA-N 1 0 395.471 1.237 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000821581022 606584994 /nfs/dbraw/zinc/58/49/94/606584994.db2.gz AXVDYHCTZKXJFI-DZGCQCFKSA-N 1 0 395.471 1.237 20 0 GDADRO COc1cccc([C@@H](CNC(=O)Nc2nn(C)cc2-c2nn[nH]n2)[NH+](C)C)c1 ZINC000821860109 606596241 /nfs/dbraw/zinc/59/62/41/606596241.db2.gz XGOJFYHCQAHCHJ-CQSZACIVSA-N 1 0 385.432 1.033 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000820657994 606624900 /nfs/dbraw/zinc/62/49/00/606624900.db2.gz NVZVEQKBBNSMQB-ONGXEEELSA-N 1 0 389.847 1.200 20 0 GDADRO C[C@H]1C[NH+](CCCCNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000820759782 606641445 /nfs/dbraw/zinc/64/14/45/606641445.db2.gz NQWIHYNJKSIWBH-GJZGRUSLSA-N 1 0 387.488 1.284 20 0 GDADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000821239822 606696551 /nfs/dbraw/zinc/69/65/51/606696551.db2.gz DDYIDQAYKDFILP-BXKDBHETSA-N 1 0 381.387 1.930 20 0 GDADRO C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000819856996 606699626 /nfs/dbraw/zinc/69/96/26/606699626.db2.gz NWAAKOLLZVUAIF-LBPRGKRZSA-N 1 0 389.508 1.121 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1nc(-c2ccccc2)no1 ZINC000821601785 606701232 /nfs/dbraw/zinc/70/12/32/606701232.db2.gz ZAROQRRZVOMJIX-UHFFFAOYSA-N 1 0 380.416 1.287 20 0 GDADRO C[NH+](C)Cc1ccsc1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821588361 606721657 /nfs/dbraw/zinc/72/16/57/606721657.db2.gz OLAPSFPZKVUKIC-UHFFFAOYSA-N 1 0 398.496 1.347 20 0 GDADRO C[N@@H+]1CCO[C@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)ccc(Cl)c43)C[C@H]21 ZINC000821628700 606726056 /nfs/dbraw/zinc/72/60/56/606726056.db2.gz OJZUOYHQNWTIQT-OLZOCXBDSA-N 1 0 389.822 1.727 20 0 GDADRO COc1cc(C[N@@H+]2CC[C@H](Nc3cccc(-c4nn[nH]n4)n3)C2)cc(OC)c1 ZINC000821716625 606728124 /nfs/dbraw/zinc/72/81/24/606728124.db2.gz CPINONDBLLMQPN-AWEZNQCLSA-N 1 0 381.440 1.965 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl)C1CC1 ZINC000821215827 606739894 /nfs/dbraw/zinc/73/98/94/606739894.db2.gz WEQDDNVFYIGAFK-UHFFFAOYSA-N 1 0 377.836 1.059 20 0 GDADRO COC(=O)C(C)(C)C[NH2+][C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821639424 606770548 /nfs/dbraw/zinc/77/05/48/606770548.db2.gz YLNBHTFGMQZQBI-SECBINFHSA-N 1 0 392.485 1.533 20 0 GDADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000820542158 606774876 /nfs/dbraw/zinc/77/48/76/606774876.db2.gz LPEZKYCWACISGD-DZGCQCFKSA-N 1 0 386.456 1.004 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCN(C)c1ccccc1 ZINC000820788847 606785070 /nfs/dbraw/zinc/78/50/70/606785070.db2.gz PHIOSKCLVCJFFO-HNNXBMFYSA-N 1 0 379.472 1.304 20 0 GDADRO CN(C(=O)COc1ccccc1-c1nn[nH]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821570904 606812754 /nfs/dbraw/zinc/81/27/54/606812754.db2.gz QGRCWHYFLXDLGX-KRWDZBQOSA-N 1 0 392.463 1.978 20 0 GDADRO C[NH+](C)C1(C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)CCC1 ZINC000821581927 606835006 /nfs/dbraw/zinc/83/50/06/606835006.db2.gz YBXAXDRJNFYOMN-UHFFFAOYSA-N 1 0 397.483 1.528 20 0 GDADRO C[C@H](C[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2sccc2C1 ZINC000820274881 606852039 /nfs/dbraw/zinc/85/20/39/606852039.db2.gz LKDYNGRYVAYBFW-CXAGYDPISA-N 1 0 384.509 1.998 20 0 GDADRO Cc1nc(CN2CCC[C@@H]([N@H+](C)C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000822441072 606859667 /nfs/dbraw/zinc/85/96/67/606859667.db2.gz RRNHQRBXFNDEMU-IAGOWNOFSA-N 1 0 398.471 1.188 20 0 GDADRO CCN1CCN(C2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000821267455 606860390 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MMOWUWLLTLZWND-OALUTQOASA-N 1 0 385.516 1.002 20 0 GDADRO C[C@@H](c1cccnc1)N1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820570264 606902409 /nfs/dbraw/zinc/90/24/09/606902409.db2.gz FTCODDPHMNCJSQ-KXBFYZLASA-N 1 0 379.468 1.674 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820659646 606907341 /nfs/dbraw/zinc/90/73/41/606907341.db2.gz ZGEKEGOPGZKQQC-TZMCWYRMSA-N 1 0 381.444 1.385 20 0 GDADRO CCc1nnc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821527108 606920701 /nfs/dbraw/zinc/92/07/01/606920701.db2.gz CDDVQXUHWLMKLF-AWEZNQCLSA-N 1 0 386.504 1.837 20 0 GDADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821936946 606964453 /nfs/dbraw/zinc/96/44/53/606964453.db2.gz IFRQONBQCPPCKN-ZDUSSCGKSA-N 1 0 382.465 1.300 20 0 GDADRO COCCCNC(=O)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000821687810 606967014 /nfs/dbraw/zinc/96/70/14/606967014.db2.gz PWCZERJBILTQON-UHFFFAOYSA-N 1 0 376.436 1.371 20 0 GDADRO CC[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[nH]n1)[NH+](C)C ZINC000820843409 606969163 /nfs/dbraw/zinc/96/91/63/606969163.db2.gz YHJVFZVTRYZYJA-OAHLLOKOSA-N 1 0 397.487 1.024 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000822222371 607005873 /nfs/dbraw/zinc/00/58/73/607005873.db2.gz DYRKNNXBACWADZ-HUUCEWRRSA-N 1 0 376.486 1.280 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821690898 607023054 /nfs/dbraw/zinc/02/30/54/607023054.db2.gz AQDSMWQOVXYKEA-HNNXBMFYSA-N 1 0 388.472 1.251 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)CC[C@H]21 ZINC000821625528 607072612 /nfs/dbraw/zinc/07/26/12/607072612.db2.gz QCXQAKVVJNXWHK-HZPDHXFCSA-N 1 0 380.456 1.833 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000822216141 607095884 /nfs/dbraw/zinc/09/58/84/607095884.db2.gz GCTSFOLDDKNFEV-HOCLYGCPSA-N 1 0 383.456 1.056 20 0 GDADRO O=C(c1sccc1-c1nn[nH]n1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000823498192 607104305 /nfs/dbraw/zinc/10/43/05/607104305.db2.gz GNDXXNBUEDHLRE-CYBMUJFWSA-N 1 0 376.486 1.645 20 0 GDADRO CC[C@H]1CN(c2c3ccccc3nnc2-c2nn[nH]n2)C[C@@H]1[NH+]1CCOCC1 ZINC000820993706 607174220 /nfs/dbraw/zinc/17/42/20/607174220.db2.gz AQKGTQDAAZYDKD-BBRMVZONSA-N 1 0 380.456 1.357 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000822928577 607177676 /nfs/dbraw/zinc/17/76/76/607177676.db2.gz KMOWMCXAICMCIB-PSUNPMBVSA-N 1 0 396.495 1.764 20 0 GDADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000823093078 607177927 /nfs/dbraw/zinc/17/79/27/607177927.db2.gz TYCIBFPEXUTGIU-ZWKOTPCHSA-N 1 0 384.484 1.293 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000823314615 607180456 /nfs/dbraw/zinc/18/04/56/607180456.db2.gz RXGNAMCWUBFIGQ-KBPBESRZSA-N 1 0 389.847 1.202 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000820057397 607180761 /nfs/dbraw/zinc/18/07/61/607180761.db2.gz ZPYDLKWMTDDSQS-LBPRGKRZSA-N 1 0 393.879 1.551 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000823337618 607194538 /nfs/dbraw/zinc/19/45/38/607194538.db2.gz OZNXDLFXANFCKJ-CVEARBPZSA-N 1 0 389.435 1.505 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000824262208 607775606 /nfs/dbraw/zinc/77/56/06/607775606.db2.gz YFBMKZHOQFGBNM-CYBMUJFWSA-N 1 0 389.435 1.181 20 0 GDADRO C[C@H]1CCCC[C@@H]1OCC[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824941678 607815288 /nfs/dbraw/zinc/81/52/88/607815288.db2.gz ZJVYELYFZJITJM-YOEHRIQHSA-N 1 0 393.513 1.825 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825412840 607828920 /nfs/dbraw/zinc/82/89/20/607828920.db2.gz VMZSFYGMUCSXQN-OAHLLOKOSA-N 1 0 378.502 1.057 20 0 GDADRO C[N@H+](CCN1C(=O)c2ccccc2C1=O)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825938388 607830804 /nfs/dbraw/zinc/83/08/04/607830804.db2.gz 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GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2c[nH]c(-c3ccccc3)n2)c1-c1nn[nH]n1 ZINC000826077902 608020066 /nfs/dbraw/zinc/02/00/66/608020066.db2.gz ZOCMNJAPXSWHAL-UHFFFAOYSA-N 1 0 392.427 1.384 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2nc3ccccc3o2)c1-c1nn[nH]n1 ZINC000826077672 608021120 /nfs/dbraw/zinc/02/11/20/608021120.db2.gz QDECUXFZYIXADB-UHFFFAOYSA-N 1 0 395.427 1.454 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)nc2C)c1-c1nn[nH]n1 ZINC000826084013 608021412 /nfs/dbraw/zinc/02/14/12/608021412.db2.gz TZUTVPHSEHNRDV-UHFFFAOYSA-N 1 0 375.824 1.351 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(s2)CCOC3)c1-c1nn[nH]n1 ZINC000826077881 608021997 /nfs/dbraw/zinc/02/19/97/608021997.db2.gz YMPMIRUBRJWNAB-UHFFFAOYSA-N 1 0 388.457 1.128 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2sccc2C)c1-c1nn[nH]n1 ZINC000826077610 608022084 /nfs/dbraw/zinc/02/20/84/608022084.db2.gz OJAYLNSNHIXUFM-MNOVXSKESA-N 1 0 386.485 1.854 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3ncccc32)c1-c1nn[nH]n1 ZINC000826082808 608022213 /nfs/dbraw/zinc/02/22/13/608022213.db2.gz BEPXPYGVXXAUAB-UHFFFAOYSA-N 1 0 377.412 1.542 20 0 GDADRO C[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000824901377 608043090 /nfs/dbraw/zinc/04/30/90/608043090.db2.gz YRQFOWMSANPSEX-QWRGUYRKSA-N 1 0 376.486 1.591 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825866057 608073903 /nfs/dbraw/zinc/07/39/03/608073903.db2.gz QCAAFSIAPBFMMZ-UHFFFAOYSA-N 1 0 380.452 1.705 20 0 GDADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826226822 608087759 /nfs/dbraw/zinc/08/77/59/608087759.db2.gz GZNHRCLNXUQCIK-KGYLQXTDSA-N 1 0 393.517 1.381 20 0 GDADRO CS[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826227228 608088707 /nfs/dbraw/zinc/08/87/07/608088707.db2.gz NYSMFWLUYOAAME-RYUDHWBXSA-N 1 0 395.558 1.461 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824401727 608126457 /nfs/dbraw/zinc/12/64/57/608126457.db2.gz SDAITHLPHPAXQD-GFCCVEGCSA-N 1 0 382.465 1.549 20 0 GDADRO O=C(NCC[C@H]1CCOC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826435908 608130653 /nfs/dbraw/zinc/13/06/53/608130653.db2.gz BNIVVZHZMDHREW-KRWDZBQOSA-N 1 0 399.499 1.511 20 0 GDADRO C[C@]1([NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCO[C@H]1C1CC1 ZINC000824839065 608133123 /nfs/dbraw/zinc/13/31/23/608133123.db2.gz YDDDMASHOKERCE-RDJZCZTQSA-N 1 0 377.470 1.188 20 0 GDADRO C[C@@H]1CN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824994189 608150978 /nfs/dbraw/zinc/15/09/78/608150978.db2.gz UCCQYMSJSXXYOK-DNVCBOLYSA-N 1 0 392.511 1.877 20 0 GDADRO CCC[C@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC000825224872 608167636 /nfs/dbraw/zinc/16/76/36/608167636.db2.gz FDYAAZOYOCFFGY-QGZVFWFLSA-N 1 0 387.488 1.497 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000826328472 608201531 /nfs/dbraw/zinc/20/15/31/608201531.db2.gz SDOLYDHLWISOTE-QWHCGFSZSA-N 1 0 397.487 1.010 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cn1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000826413521 608216657 /nfs/dbraw/zinc/21/66/57/608216657.db2.gz IRXFWDKRWPFAKW-OAHLLOKOSA-N 1 0 396.455 1.610 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cn1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000826413818 608217518 /nfs/dbraw/zinc/21/75/18/608217518.db2.gz SWWLUTXRWBQJCT-QGZVFWFLSA-N 1 0 392.467 1.627 20 0 GDADRO O[C@@H](C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1)c1ccc(Cl)cc1 ZINC000826510678 608220527 /nfs/dbraw/zinc/22/05/27/608220527.db2.gz FCNXFBUXQSVCMI-INIZCTEOSA-N 1 0 385.859 1.771 20 0 GDADRO O[C@H](C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502358 608256645 /nfs/dbraw/zinc/25/66/45/608256645.db2.gz BMMYFXAJVBGOBR-HZPDHXFCSA-N 1 0 380.456 1.775 20 0 GDADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CCN1CC(F)F ZINC000825210863 608257251 /nfs/dbraw/zinc/25/72/51/608257251.db2.gz JVPBPQYDMYNATK-CYBMUJFWSA-N 1 0 393.442 1.857 20 0 GDADRO c1ccc(CN2CCC([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000826521663 608283363 /nfs/dbraw/zinc/28/33/63/608283363.db2.gz UYSKYGXEEJPIPH-UHFFFAOYSA-N 1 0 379.468 1.895 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC1 ZINC000826033415 608284851 /nfs/dbraw/zinc/28/48/51/608284851.db2.gz CNBVBRLSFHEXTA-QGZVFWFLSA-N 1 0 396.543 1.747 20 0 GDADRO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1-c1nn[nH]n1 ZINC000826332096 608313048 /nfs/dbraw/zinc/31/30/48/608313048.db2.gz JRRJHFZHEMTPSU-JSGCOSHPSA-N 1 0 380.456 1.447 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825855518 608337949 /nfs/dbraw/zinc/33/79/49/608337949.db2.gz GTVWNLBVQQICTO-ZIAGYGMSSA-N 1 0 382.465 1.298 20 0 GDADRO COCCCNC(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000826156846 608354455 /nfs/dbraw/zinc/35/44/55/608354455.db2.gz WOYZJOBWXOUONY-UHFFFAOYSA-N 1 0 388.472 1.240 20 0 GDADRO CC[C@H]1C[N@H+](CCn2cccn2)CCN1Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000825209644 608358798 /nfs/dbraw/zinc/35/87/98/608358798.db2.gz BHOGEOXPKSIACA-SFHVURJKSA-N 1 0 396.499 1.668 20 0 GDADRO CCn1ccnc1CN1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000825805173 608391510 /nfs/dbraw/zinc/39/15/10/608391510.db2.gz WDCIVDDLRQGBJB-UHFFFAOYSA-N 1 0 384.463 1.930 20 0 GDADRO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000823967193 608458862 /nfs/dbraw/zinc/45/88/62/608458862.db2.gz JYCKPGGPMMGPCE-KUHUBIRLSA-N 1 0 392.463 1.834 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562679 608460825 /nfs/dbraw/zinc/46/08/25/608460825.db2.gz IIDCZRXHBSICSQ-ZDUSSCGKSA-N 1 0 393.451 1.858 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824555581 608485822 /nfs/dbraw/zinc/48/58/22/608485822.db2.gz XTZXXRGILRINJK-XEZPLFJOSA-N 1 0 385.472 1.922 20 0 GDADRO CCCNC(=O)CN1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825328454 608500116 /nfs/dbraw/zinc/50/01/16/608500116.db2.gz SMKAKHTZZIERGA-IBGZPJMESA-N 1 0 397.527 1.824 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826223357 608505617 /nfs/dbraw/zinc/50/56/17/608505617.db2.gz KEXAGWGUGIWTQZ-ZBFHGGJFSA-N 1 0 376.486 1.258 20 0 GDADRO O=c1[nH]c2ccccc2cc1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000738372557 608507932 /nfs/dbraw/zinc/50/79/32/608507932.db2.gz SACCJWMJOPHGNR-UHFFFAOYSA-N 1 0 388.435 1.838 20 0 GDADRO O=C(C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826412207 608526639 /nfs/dbraw/zinc/52/66/39/608526639.db2.gz GMDCDEKXCVGIJA-ICSRJNTNSA-N 1 0 392.463 1.850 20 0 GDADRO O[C@@H](C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)COc1ccc2c(c1)OCO2 ZINC000826503502 608531826 /nfs/dbraw/zinc/53/18/26/608531826.db2.gz ZDIJTQNBZKJSNV-HNNXBMFYSA-N 1 0 395.419 1.614 20 0 GDADRO CS(=O)(=O)c1cccc(OCC[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826224028 608531943 /nfs/dbraw/zinc/53/19/43/608531943.db2.gz LBKBGGJXEKCWEJ-UHFFFAOYSA-N 1 0 399.476 1.928 20 0 GDADRO Cn1cc([C@@H]([NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C(C)(C)C)cn1 ZINC000826359734 608554756 /nfs/dbraw/zinc/55/47/56/608554756.db2.gz PDGPMWXMMBLRHM-QGZVFWFLSA-N 1 0 382.472 1.593 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000826254947 608563719 /nfs/dbraw/zinc/56/37/19/608563719.db2.gz GJOBALFFWPDBQQ-UHFFFAOYSA-N 1 0 376.486 1.424 20 0 GDADRO CC(=O)N1CCC([NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000823972807 608569455 /nfs/dbraw/zinc/56/94/55/608569455.db2.gz HDYWWQRCDPPNRC-UHFFFAOYSA-N 1 0 385.472 1.552 20 0 GDADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000824599518 608576305 /nfs/dbraw/zinc/57/63/05/608576305.db2.gz QDJQNVCYMNJUSP-LBPRGKRZSA-N 1 0 388.453 1.244 20 0 GDADRO NC(=O)c1csc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826394023 608585481 /nfs/dbraw/zinc/58/54/81/608585481.db2.gz TXVZTVPVAGOXQZ-UHFFFAOYSA-N 1 0 383.481 1.739 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CC[C@@H](C)C3)C[C@H]1O ZINC000824969816 608586028 /nfs/dbraw/zinc/58/60/28/608586028.db2.gz VBDOSXSFWDCJIC-NQBHXWOUSA-N 1 0 390.513 1.694 20 0 GDADRO C[C@@H]1CN(CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000824985569 608588064 /nfs/dbraw/zinc/58/80/64/608588064.db2.gz XLEAVVZZKGADJX-KGLIPLIRSA-N 1 0 395.471 1.015 20 0 GDADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000826223460 608645022 /nfs/dbraw/zinc/64/50/22/608645022.db2.gz NMVHGSBHQOXUGK-CYBMUJFWSA-N 1 0 382.465 1.300 20 0 GDADRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825285333 608657346 /nfs/dbraw/zinc/65/73/46/608657346.db2.gz RCNFELZJRYRMHF-HNNXBMFYSA-N 1 0 382.472 1.643 20 0 GDADRO CCOCC[N@@H+]1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@H]1CC ZINC000825599546 608687047 /nfs/dbraw/zinc/68/70/47/608687047.db2.gz NFJIGFTWIKKSJZ-MRXNPFEDSA-N 1 0 384.488 1.447 20 0 GDADRO COc1cc(C[N@@H+]2CC[C@H](Nc3cnccc3-c3nn[nH]n3)C2)cc(OC)c1 ZINC000826179477 608791731 /nfs/dbraw/zinc/79/17/31/608791731.db2.gz PTIBCDHVHUULDR-AWEZNQCLSA-N 1 0 381.440 1.965 20 0 GDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825870469 608860824 /nfs/dbraw/zinc/86/08/24/608860824.db2.gz NPUSVXDMZNMJNB-UHFFFAOYSA-N 1 0 391.439 1.287 20 0 GDADRO c1ccc(C[N@@H+]2CC[C@H](N3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)C2)cc1 ZINC000826521159 608873294 /nfs/dbraw/zinc/87/32/94/608873294.db2.gz BZTXLSFQNUFJIW-IBGZPJMESA-N 1 0 390.495 1.658 20 0 GDADRO Cc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c(C)n1 ZINC000826329951 609172963 /nfs/dbraw/zinc/17/29/63/609172963.db2.gz ZFFATEUOYYKNPV-UHFFFAOYSA-N 1 0 380.456 1.478 20 0 GDADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826437537 609194223 /nfs/dbraw/zinc/19/42/23/609194223.db2.gz PLWSSWYWBATBHO-SFHVURJKSA-N 1 0 378.436 1.075 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824907510 609214813 /nfs/dbraw/zinc/21/48/13/609214813.db2.gz IDZFBSIPODQNIK-DACLVMHWSA-N 1 0 384.484 1.764 20 0 GDADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826021644 609230149 /nfs/dbraw/zinc/23/01/49/609230149.db2.gz BLNKCXOYQXMMML-GOSISDBHSA-N 1 0 396.451 1.616 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c2ccccc2O1 ZINC000825860614 609247479 /nfs/dbraw/zinc/24/74/79/609247479.db2.gz UDZVHMTWWXUJIX-MAUKXSAKSA-N 1 0 394.435 1.256 20 0 GDADRO CN(C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825812263 609248765 /nfs/dbraw/zinc/24/87/65/609248765.db2.gz JMODGEGYYYSXOQ-OALUTQOASA-N 1 0 392.463 1.633 20 0 GDADRO CN(C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825812264 609248913 /nfs/dbraw/zinc/24/89/13/609248913.db2.gz JMODGEGYYYSXOQ-RBUKOAKNSA-N 1 0 392.463 1.633 20 0 GDADRO O=S(=O)(CC[N@@H+]1CCC[C@H]1C1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826484634 609283708 /nfs/dbraw/zinc/28/37/08/609283708.db2.gz KAKRJBSMTUWQPM-KRWDZBQOSA-N 1 0 391.497 1.531 20 0 GDADRO Cn1cc(C[NH2+]CC(=O)NCC(F)(F)F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360918 609337768 /nfs/dbraw/zinc/33/77/68/609337768.db2.gz CRYQRMQDXANRHQ-UHFFFAOYSA-N 1 0 394.361 1.035 20 0 GDADRO CC[NH+]1CCC(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC1 ZINC000825450821 609356212 /nfs/dbraw/zinc/35/62/12/609356212.db2.gz DKLDMEKBWZNXAA-UHFFFAOYSA-N 1 0 399.434 1.797 20 0 GDADRO C[N@H+](CCc1ccncc1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825946370 609489565 /nfs/dbraw/zinc/48/95/65/609489565.db2.gz VLMBLWWYFBIVSB-SFHVURJKSA-N 1 0 377.452 1.932 20 0 GDADRO CC[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000825176138 609529986 /nfs/dbraw/zinc/52/99/86/609529986.db2.gz HLMURQACVBNUKE-ROUUACIJSA-N 1 0 386.500 1.962 20 0 GDADRO CC(C)[NH+](CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)C(C)C ZINC000824288456 609535814 /nfs/dbraw/zinc/53/58/14/609535814.db2.gz HCWQQTJVORVQLB-UHFFFAOYSA-N 1 0 386.909 1.917 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3Cl)CC[C@@H]21 ZINC000826033536 609557759 /nfs/dbraw/zinc/55/77/59/609557759.db2.gz GINQDCGFDKLTAI-JSGCOSHPSA-N 1 0 396.904 1.625 20 0 GDADRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257309 609587137 /nfs/dbraw/zinc/58/71/37/609587137.db2.gz WUXIQCJGZXPFKO-SCLBCKFNSA-N 1 0 394.483 1.773 20 0 GDADRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257308 609587202 /nfs/dbraw/zinc/58/72/02/609587202.db2.gz WUXIQCJGZXPFKO-FZKQIMNGSA-N 1 0 394.483 1.773 20 0 GDADRO CC(C)n1cc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000824371478 609600940 /nfs/dbraw/zinc/60/09/40/609600940.db2.gz HCWMEJAOJMWIDC-QGZVFWFLSA-N 1 0 380.456 1.929 20 0 GDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000826459771 609622158 /nfs/dbraw/zinc/62/21/58/609622158.db2.gz YXSIMNRJIXRZQX-UHFFFAOYSA-N 1 0 393.342 1.164 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000530883326 649983468 /nfs/dbraw/zinc/98/34/68/649983468.db2.gz MRRJDXWSQRIGIN-RYUDHWBXSA-N 1 0 388.295 1.637 20 0 GDADRO COc1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)sc1S(N)(=O)=O ZINC000532034429 650003089 /nfs/dbraw/zinc/00/30/89/650003089.db2.gz FPLPFPHEETYAGM-UHFFFAOYSA-N 1 0 375.516 1.398 20 0 GDADRO COC1CCC([N@H+](C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000532161699 650016688 /nfs/dbraw/zinc/01/66/88/650016688.db2.gz ONJOBRBRZHRHRP-UHFFFAOYSA-N 1 0 377.551 1.052 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cncc(Cl)c1 ZINC000533176431 650045317 /nfs/dbraw/zinc/04/53/17/650045317.db2.gz FGFSJDVBLXUFRW-UHFFFAOYSA-N 1 0 377.894 1.629 20 0 GDADRO CN(CC[NH2+]Cc1cnn(CC(F)(F)F)c1)S(=O)(=O)c1cccs1 ZINC000533253782 650047383 /nfs/dbraw/zinc/04/73/83/650047383.db2.gz FPBXSFPPOPGCOP-UHFFFAOYSA-N 1 0 382.433 1.917 20 0 GDADRO COCC1(O)CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000533997875 650216775 /nfs/dbraw/zinc/21/67/75/650216775.db2.gz SOXNJNFAIZFWIB-UHFFFAOYSA-N 1 0 382.258 1.430 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000534422333 650220879 /nfs/dbraw/zinc/22/08/79/650220879.db2.gz HDNOJEQCOUIAGZ-LLVKDONJSA-N 1 0 377.869 1.345 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(F)cc1Br ZINC000535258993 650245180 /nfs/dbraw/zinc/24/51/80/650245180.db2.gz ADESAOZDRZBHHR-UHFFFAOYSA-N 1 0 381.205 1.572 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000536692154 650277811 /nfs/dbraw/zinc/27/78/11/650277811.db2.gz ANSUQWACSNZUJI-RYUDHWBXSA-N 1 0 393.506 1.348 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000536692151 650278013 /nfs/dbraw/zinc/27/80/13/650278013.db2.gz ANSUQWACSNZUJI-NEPJUHHUSA-N 1 0 393.506 1.348 20 0 GDADRO CSCC[C@@H](CO)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000536845066 650281992 /nfs/dbraw/zinc/28/19/92/650281992.db2.gz KTCXWSFCKWIIBU-HOCLYGCPSA-N 1 0 388.555 1.472 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000538398981 650309219 /nfs/dbraw/zinc/30/92/19/650309219.db2.gz BLBOKEYGMVYAAZ-HNNXBMFYSA-N 1 0 379.507 1.962 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(NS(C)(=O)=O)cc1 ZINC000539042374 650327488 /nfs/dbraw/zinc/32/74/88/650327488.db2.gz GDOFLZWCAZCGFT-GFCCVEGCSA-N 1 0 377.532 1.427 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000539298447 650332603 /nfs/dbraw/zinc/33/26/03/650332603.db2.gz QTWGRFFMKFADNA-OAHLLOKOSA-N 1 0 388.555 1.525 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1cc(-n2ccnc2)cs1)NC[C@@H]1CCCCO1 ZINC000543171946 650420347 /nfs/dbraw/zinc/42/03/47/650420347.db2.gz MLBNIDDTVJNPFR-HNNXBMFYSA-N 1 0 384.527 1.512 20 0 GDADRO O=C(CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1ccccc1Br ZINC000543182719 650420508 /nfs/dbraw/zinc/42/05/08/650420508.db2.gz ZHQMNLXLNXTXBJ-YWPYICTPSA-N 1 0 396.285 1.207 20 0 GDADRO COCCN(C(=O)C[NH2+][C@@H](c1cccs1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000543439261 650422549 /nfs/dbraw/zinc/42/25/49/650422549.db2.gz AMLRBZFCJAJKOU-WMLDXEAASA-N 1 0 386.539 1.451 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000543387081 650421632 /nfs/dbraw/zinc/42/16/32/650421632.db2.gz KPQILULOZBBAHH-INIZCTEOSA-N 1 0 396.329 1.896 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000543825729 650430094 /nfs/dbraw/zinc/43/00/94/650430094.db2.gz RQZBPYNNXZJZPP-OAHLLOKOSA-N 1 0 388.306 1.750 20 0 GDADRO COc1cc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc(OC)c1Br ZINC000545168453 650450286 /nfs/dbraw/zinc/45/02/86/650450286.db2.gz BTIFUHZIHKXWRC-OAHLLOKOSA-N 1 0 388.262 1.654 20 0 GDADRO C[C@H](c1nccs1)N1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000545237192 650452891 /nfs/dbraw/zinc/45/28/91/650452891.db2.gz ONCVWMNRGZJCGH-PBHICJAKSA-N 1 0 383.587 1.969 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000546570124 650479285 /nfs/dbraw/zinc/47/92/85/650479285.db2.gz JFZAGDILTJBRGV-INIZCTEOSA-N 1 0 397.248 1.570 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000547288865 650494064 /nfs/dbraw/zinc/49/40/64/650494064.db2.gz BSPKBPHFJJPGMP-INIZCTEOSA-N 1 0 394.273 1.823 20 0 GDADRO CN(C(=O)CNC(=O)c1ccc(Br)s1)[C@@H]1C[NH+]2CCC1CC2 ZINC000547425157 650497548 /nfs/dbraw/zinc/49/75/48/650497548.db2.gz ZWFPYSNELHPBLZ-LLVKDONJSA-N 1 0 386.315 1.793 20 0 GDADRO O=c1cc(C[N@H+]2CCC[C@@H](OCCO)C2)nc2ccc(Br)cn12 ZINC000548405784 650545132 /nfs/dbraw/zinc/54/51/32/650545132.db2.gz XVPOMQAMKGLIRE-CQSZACIVSA-N 1 0 382.258 1.430 20 0 GDADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(Cl)cn1 ZINC000548482130 650547559 /nfs/dbraw/zinc/54/75/59/650547559.db2.gz UZVKUGRSMJORHM-ZDUSSCGKSA-N 1 0 388.921 1.427 20 0 GDADRO C[C@@H](COC1CCCC1)CS(=O)(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000549776307 650582725 /nfs/dbraw/zinc/58/27/25/650582725.db2.gz XDQQJEGVEXGPOA-INIZCTEOSA-N 1 0 376.563 1.954 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C(F)(F)F)n1 ZINC000549789124 650583075 /nfs/dbraw/zinc/58/30/75/650583075.db2.gz VYWYVYVANNDQLZ-LBPRGKRZSA-N 1 0 380.436 1.791 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@H](O)CN2CCOCC2)cc1OC ZINC000550877668 650598083 /nfs/dbraw/zinc/59/80/83/650598083.db2.gz OJVDWJSJHTUSGH-ZDUSSCGKSA-N 1 0 389.290 1.249 20 0 GDADRO CS(=O)(=O)C1(C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CCCC1 ZINC000551199076 650600770 /nfs/dbraw/zinc/60/07/70/650600770.db2.gz VSYQTWHUNOJMFP-INIZCTEOSA-N 1 0 386.539 1.658 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)CCSC1 ZINC000551211809 650601388 /nfs/dbraw/zinc/60/13/88/650601388.db2.gz WHWIQZXRVIWFLG-XHBSWPGZSA-N 1 0 379.473 1.207 20 0 GDADRO CCC[C@H](C(=O)NCCNS(=O)(=O)c1ccc(F)c(Cl)c1)[NH+](C)C ZINC000552052319 650618373 /nfs/dbraw/zinc/61/83/73/650618373.db2.gz MODBXASFTHYCNV-CQSZACIVSA-N 1 0 379.885 1.604 20 0 GDADRO C[C@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)C(=O)NCC[NH+](C)C ZINC000552083165 650619000 /nfs/dbraw/zinc/61/90/00/650619000.db2.gz UTQINVFSLXOTPV-NSHDSACASA-N 1 0 396.285 1.407 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](C)c2ccc(Cl)s2)CC1=O ZINC000552349889 650623932 /nfs/dbraw/zinc/62/39/32/650623932.db2.gz NVGKUWAELUWUBP-CHWSQXEVSA-N 1 0 387.933 1.800 20 0 GDADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC[C@@H]2CCCS(=O)(=O)C2)[C@H](C(F)(F)F)C1 ZINC000552423173 650626153 /nfs/dbraw/zinc/62/61/53/650626153.db2.gz VMYBKPCQYGQZKT-YNEHKIRRSA-N 1 0 384.464 1.836 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000553306016 650642195 /nfs/dbraw/zinc/64/21/95/650642195.db2.gz QTDYNZBKVOTMKY-HNNXBMFYSA-N 1 0 375.922 1.629 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CCN(CC(F)(F)F)C(=O)C1)c1ccsc1 ZINC000553390978 650644836 /nfs/dbraw/zinc/64/48/36/650644836.db2.gz SDVFOADKIUFCLJ-GFCCVEGCSA-N 1 0 378.420 1.767 20 0 GDADRO O=C1NC(=O)C2(CCC([NH2+]CCOc3cccc(Br)c3)CC2)N1 ZINC000553674713 650653685 /nfs/dbraw/zinc/65/36/85/650653685.db2.gz LFXMFCIXLYCOSV-UHFFFAOYSA-N 1 0 382.258 1.938 20 0 GDADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N(C)C)C[C@@H](C)C1 ZINC000553784148 650657249 /nfs/dbraw/zinc/65/72/49/650657249.db2.gz MXRGDLMQKQQYPH-MJBXVCDLSA-N 1 0 385.555 1.801 20 0 GDADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cn2cc(Br)ccc2=O)C[C@@H](C)C1 ZINC000554131128 650668390 /nfs/dbraw/zinc/66/83/90/650668390.db2.gz LSXRNOPCIGCJBH-GUTXKFCHSA-N 1 0 382.302 1.800 20 0 GDADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@H](O)COC[C@H]1CCCO1 ZINC000555463412 650691544 /nfs/dbraw/zinc/69/15/44/650691544.db2.gz KSKIFRPWIHXWIW-QWHCGFSZSA-N 1 0 394.331 1.861 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000556065220 650699026 /nfs/dbraw/zinc/69/90/26/650699026.db2.gz LGPBYQWCMQNFLG-OAHLLOKOSA-N 1 0 389.543 1.019 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000556215990 650700259 /nfs/dbraw/zinc/70/02/59/650700259.db2.gz RCKSYZGGVUCPFB-UHFFFAOYSA-N 1 0 376.288 1.327 20 0 GDADRO COc1cc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c(Br)cc1O ZINC000556410022 650705086 /nfs/dbraw/zinc/70/50/86/650705086.db2.gz KHXBHIRQTUIAFH-UHFFFAOYSA-N 1 0 394.287 1.193 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)cnc2c1Cl ZINC000556820289 650712105 /nfs/dbraw/zinc/71/21/05/650712105.db2.gz UZOMVMPGQVOMHS-WCQYABFASA-N 1 0 383.905 1.938 20 0 GDADRO O=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000557199040 650720800 /nfs/dbraw/zinc/72/08/00/650720800.db2.gz KZMSHRXFORMALQ-ZIAGYGMSSA-N 1 0 386.543 1.058 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)[C@H](C[NH3+])C1 ZINC000563714200 650737975 /nfs/dbraw/zinc/73/79/75/650737975.db2.gz IBPPDMQPXRJVGN-GFCCVEGCSA-N 1 0 382.555 1.857 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000564064055 650746842 /nfs/dbraw/zinc/74/68/42/650746842.db2.gz CAFAPJKRPVMROK-HNNXBMFYSA-N 1 0 395.301 1.631 20 0 GDADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000564202162 650751808 /nfs/dbraw/zinc/75/18/08/650751808.db2.gz AKDSQPNQSLXESP-AWEZNQCLSA-N 1 0 388.917 1.457 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]CC2(O)CCCC2)c1 ZINC000564203938 650751873 /nfs/dbraw/zinc/75/18/73/650751873.db2.gz YBWNKMDBDQJUEX-UHFFFAOYSA-N 1 0 391.331 1.931 20 0 GDADRO COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)c1 ZINC000564146611 650750470 /nfs/dbraw/zinc/75/04/70/650750470.db2.gz CTIJGJUETZEVQJ-OCCSQVGLSA-N 1 0 389.543 1.846 20 0 GDADRO CCn1c(CNC(=O)NC[C@H]2C[NH2+]CCO2)nc2cc(Br)ccc21 ZINC000564188833 650751264 /nfs/dbraw/zinc/75/12/64/650751264.db2.gz UPALCDZEEAREMP-GFCCVEGCSA-N 1 0 396.289 1.606 20 0 GDADRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)CC[NH+](CC)CC)s1 ZINC000564409930 650757568 /nfs/dbraw/zinc/75/75/68/650757568.db2.gz OTLREIWEPKJDNO-RYUDHWBXSA-N 1 0 391.563 1.325 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000564225977 650752947 /nfs/dbraw/zinc/75/29/47/650752947.db2.gz NLGZTELGQDZACO-FZMZJTMJSA-N 1 0 398.301 1.603 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000564227932 650753092 /nfs/dbraw/zinc/75/30/92/650753092.db2.gz UUCSAZDPKVWMCE-NQBHXWOUSA-N 1 0 381.274 1.020 20 0 GDADRO CSC1(C[NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCC1 ZINC000564528996 650760451 /nfs/dbraw/zinc/76/04/51/650760451.db2.gz NOHJWABGXDFWDH-UHFFFAOYSA-N 1 0 384.571 1.409 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC2(C[NH3+])CCCC2)c1OC ZINC000564654905 650763968 /nfs/dbraw/zinc/76/39/68/650763968.db2.gz ANLSYZXTIUYQKW-UHFFFAOYSA-N 1 0 375.878 1.258 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000564955770 650774406 /nfs/dbraw/zinc/77/44/06/650774406.db2.gz ZFFVMVXMDDXTKX-STQMWFEESA-N 1 0 385.295 1.366 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000564850167 650769979 /nfs/dbraw/zinc/76/99/79/650769979.db2.gz SYIOMFSGBBIZPK-LSDHHAIUSA-N 1 0 389.539 1.801 20 0 GDADRO CCCCOC[C@@H](O)C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000564869143 650770482 /nfs/dbraw/zinc/77/04/82/650770482.db2.gz PIUHGOGTTDUKGS-CABCVRRESA-N 1 0 376.544 1.668 20 0 GDADRO CCOCC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000564869154 650770890 /nfs/dbraw/zinc/77/08/90/650770890.db2.gz PRKZDHIAAAOFSX-LLVKDONJSA-N 1 0 385.313 1.649 20 0 GDADRO Cc1c(C(=O)N2CCN(C)C[C@H]2C[NH3+])cnn1-c1cccc(Br)c1 ZINC000564944630 650773968 /nfs/dbraw/zinc/77/39/68/650773968.db2.gz YBCPFROKOYYDSB-OAHLLOKOSA-N 1 0 392.301 1.658 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000564992403 650775809 /nfs/dbraw/zinc/77/58/09/650775809.db2.gz ZWCPHFSBBACRJL-NSHDSACASA-N 1 0 394.324 1.872 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCCOc3cccc(Cl)c3Cl)CCN2C1=O ZINC000565252990 650789758 /nfs/dbraw/zinc/78/97/58/650789758.db2.gz GPRZSXRSIQHWBT-JQWIXIFHSA-N 1 0 387.267 1.326 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3C(F)(F)F)CCN2C1=O ZINC000565240147 650789209 /nfs/dbraw/zinc/78/92/09/650789209.db2.gz RWHFNFSYKXFJPF-KWQFWETISA-N 1 0 397.806 1.291 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565256156 650790039 /nfs/dbraw/zinc/79/00/39/650790039.db2.gz XVSQYJUBWURFOQ-BYCMXARLSA-N 1 0 395.301 1.334 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000565727084 650810835 /nfs/dbraw/zinc/81/08/35/650810835.db2.gz CATBNOYUZKOKKR-DTWKUNHWSA-N 1 0 381.267 1.968 20 0 GDADRO CC(C)(Cc1ccc(Br)cc1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000565951391 650822793 /nfs/dbraw/zinc/82/27/93/650822793.db2.gz RTJLTWGHFVASAS-CQSZACIVSA-N 1 0 382.302 1.755 20 0 GDADRO CSCC[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000566234403 650837121 /nfs/dbraw/zinc/83/71/21/650837121.db2.gz RJRWTIZZVWFKCE-LBPRGKRZSA-N 1 0 382.345 1.926 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000566411828 650844753 /nfs/dbraw/zinc/84/47/53/650844753.db2.gz LEENUYGPIZXAAJ-NWDGAFQWSA-N 1 0 388.921 1.340 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000566423502 650845363 /nfs/dbraw/zinc/84/53/63/650845363.db2.gz DANPKLXSFUBCPR-OAHLLOKOSA-N 1 0 384.318 1.800 20 0 GDADRO CC(=O)NCC[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000566618288 650859656 /nfs/dbraw/zinc/85/96/56/650859656.db2.gz CBEBOXPCFPCFAY-LBPRGKRZSA-N 1 0 379.682 1.910 20 0 GDADRO COCC(C)(C)[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000566733773 650863247 /nfs/dbraw/zinc/86/32/47/650863247.db2.gz GKHOXYQQRFSUTQ-UHFFFAOYSA-N 1 0 376.242 1.628 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)C1 ZINC000567066941 650883237 /nfs/dbraw/zinc/88/32/37/650883237.db2.gz JIMNFWLQKVYCJF-GFCCVEGCSA-N 1 0 388.299 1.469 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000567087243 650884270 /nfs/dbraw/zinc/88/42/70/650884270.db2.gz MORMUQVYYROQET-AWEZNQCLSA-N 1 0 391.559 1.336 20 0 GDADRO COCC[C@H](COC)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567228888 650893975 /nfs/dbraw/zinc/89/39/75/650893975.db2.gz DKLOMJMCOLTEKT-CYBMUJFWSA-N 1 0 380.304 1.864 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000567264196 650896487 /nfs/dbraw/zinc/89/64/87/650896487.db2.gz MXRPOVZPNSGMHA-NSHDSACASA-N 1 0 390.303 1.045 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)N(CCO)Cc2cccc(Br)c2)n1 ZINC000567288234 650897682 /nfs/dbraw/zinc/89/76/82/650897682.db2.gz IIWHMAUFAZVIFA-UHFFFAOYSA-N 1 0 395.301 1.842 20 0 GDADRO C[NH+](C)CCNC(=S)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000007593492 644212200 /nfs/dbraw/zinc/21/22/00/644212200.db2.gz JKCRPRFGXLLJFB-UHFFFAOYSA-N 1 0 390.962 1.082 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nnc(N)s3)cc2)CC1 ZINC000018199493 644254001 /nfs/dbraw/zinc/25/40/01/644254001.db2.gz XGHPUULOICPGHD-UHFFFAOYSA-N 1 0 378.527 1.993 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)C[C@H]1c1ccccc1F ZINC000567462881 650905698 /nfs/dbraw/zinc/90/56/98/650905698.db2.gz CPBZWISXSFTJEP-GXTWGEPZSA-N 1 0 383.470 1.119 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]CC2(N3CCSCC3)CCCCC2)CC1 ZINC000567494341 650907738 /nfs/dbraw/zinc/90/77/38/650907738.db2.gz ZJIDIWXDICWHNE-UHFFFAOYSA-N 1 0 376.588 1.267 20 0 GDADRO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)n1 ZINC000031820291 644311780 /nfs/dbraw/zinc/31/17/80/644311780.db2.gz XQAAXZOEUSDSPJ-UHFFFAOYSA-N 1 0 389.409 1.368 20 0 GDADRO COC(=O)C(C)(C)CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000567643804 650912263 /nfs/dbraw/zinc/91/22/63/650912263.db2.gz FRSGDDWACIJHIU-UHFFFAOYSA-N 1 0 378.560 1.467 20 0 GDADRO NS(=O)(=O)c1ccc(Br)c(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000047140162 644370911 /nfs/dbraw/zinc/37/09/11/644370911.db2.gz YFIKTHVVGOSMPQ-UHFFFAOYSA-N 1 0 390.303 1.312 20 0 GDADRO C[C@H](OC[C@H](O)C[NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000567687871 650914790 /nfs/dbraw/zinc/91/47/90/650914790.db2.gz DRPHUEDUIAIVAR-IAOVAPTHSA-N 1 0 390.933 1.792 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCn1ccnc1C ZINC000048750393 644393996 /nfs/dbraw/zinc/39/39/96/644393996.db2.gz DVMUOWUPFURCQS-CQSZACIVSA-N 1 0 385.921 1.889 20 0 GDADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000052589678 644436512 /nfs/dbraw/zinc/43/65/12/644436512.db2.gz PFIPOBMPFAJDCU-DGCLKSJQSA-N 1 0 399.289 1.641 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)C[C@@H](C[NH3+])OC)C[C@@H]1c1ccc(Br)cc1 ZINC000567823140 650921895 /nfs/dbraw/zinc/92/18/95/650921895.db2.gz JZIPDPCNVFTMOX-ZNMIVQPWSA-N 1 0 399.285 1.528 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000567866845 650925205 /nfs/dbraw/zinc/92/52/05/650925205.db2.gz UYJHTGAWYHOKQW-QMMMGPOBSA-N 1 0 376.201 1.863 20 0 GDADRO Cc1ccc(C[C@H](CO)C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1Br ZINC000567873278 650926345 /nfs/dbraw/zinc/92/63/45/650926345.db2.gz QXNZHRIIPFMCLZ-OCCSQVGLSA-N 1 0 378.332 1.931 20 0 GDADRO [NH3+]CCOCCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000567896398 650927729 /nfs/dbraw/zinc/92/77/29/650927729.db2.gz GBDOLOBHDHRBQN-UHFFFAOYSA-N 1 0 382.313 1.275 20 0 GDADRO Cc1cc(S(=O)(=O)N(C)C)cc(NC(=S)NC2CC[NH+](C)CC2)c1C ZINC000063145258 644519587 /nfs/dbraw/zinc/51/95/87/644519587.db2.gz MDQVETVHQXWTLT-UHFFFAOYSA-N 1 0 384.571 1.934 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)ccn1 ZINC000567916905 650929866 /nfs/dbraw/zinc/92/98/66/650929866.db2.gz MMBKDMNYZHGYJC-CQSZACIVSA-N 1 0 380.857 1.169 20 0 GDADRO [NH2+]=C(NCCCNC(=O)c1ccc(Br)cc1)NC[C@H]1CCCO1 ZINC000066246165 644541145 /nfs/dbraw/zinc/54/11/45/644541145.db2.gz MLIBPPXBBRGFBX-CQSZACIVSA-N 1 0 383.290 1.652 20 0 GDADRO CCNS(=O)(=O)CCNC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000069067134 644572723 /nfs/dbraw/zinc/57/27/23/644572723.db2.gz JUEDTEBWMSMQSZ-CQSZACIVSA-N 1 0 376.548 1.370 20 0 GDADRO C=C(Br)CNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000069118314 644574673 /nfs/dbraw/zinc/57/46/73/644574673.db2.gz VNWUAPCBKROAMP-UHFFFAOYSA-N 1 0 382.306 1.931 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000568162111 650939146 /nfs/dbraw/zinc/93/91/46/650939146.db2.gz OJADOWRZAUEJJV-MFKMUULPSA-N 1 0 380.919 1.385 20 0 GDADRO C[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C(C)(C)C[NH+](C)C ZINC000119398177 644657884 /nfs/dbraw/zinc/65/78/84/644657884.db2.gz QIXLLVWNRHJEBG-VIFPVBQESA-N 1 0 379.885 1.833 20 0 GDADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000120459217 644671272 /nfs/dbraw/zinc/67/12/72/644671272.db2.gz DBPJVTCZQOCZFM-UHFFFAOYSA-N 1 0 397.291 1.839 20 0 GDADRO CSc1nc2ncn(CC(=O)NC3CC[NH+](C4CC4)CC3)c(=O)c2s1 ZINC000120895990 644675717 /nfs/dbraw/zinc/67/57/17/644675717.db2.gz WXARJTPRUYNDBL-UHFFFAOYSA-N 1 0 379.511 1.318 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000122404374 644687518 /nfs/dbraw/zinc/68/75/18/644687518.db2.gz HFFNPIRFNCQJNL-LLVKDONJSA-N 1 0 391.287 1.738 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000123376676 644695811 /nfs/dbraw/zinc/69/58/11/644695811.db2.gz UOIKSZYGGJNLJM-JTQLQIEISA-N 1 0 391.287 1.514 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000123457666 644696017 /nfs/dbraw/zinc/69/60/17/644696017.db2.gz YBJNPGMZSKXZIT-LLVKDONJSA-N 1 0 391.287 1.738 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)OC)ccc1Br ZINC000124837968 644710167 /nfs/dbraw/zinc/71/01/67/644710167.db2.gz JPVRRNNHYVCIES-NSHDSACASA-N 1 0 391.287 1.608 20 0 GDADRO [NH3+][C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1CC1 ZINC000137405499 644770341 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GDADRO COC(=O)c1cc(S(=O)(=O)NCC[N@H+](C)C(C)C)ccc1Br ZINC000155588626 644814537 /nfs/dbraw/zinc/81/45/37/644814537.db2.gz KBYXKWBHHGYPAA-UHFFFAOYSA-N 1 0 393.303 1.854 20 0 GDADRO CC[NH2+]CCCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000568371703 650955067 /nfs/dbraw/zinc/95/50/67/650955067.db2.gz SPKWJVZEHYQWTD-UHFFFAOYSA-N 1 0 376.910 1.226 20 0 GDADRO O=C(NNC(=O)c1ccccc1Br)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160723285 644849585 /nfs/dbraw/zinc/84/95/85/644849585.db2.gz KMGHYTXUVRQHJC-LBPRGKRZSA-N 1 0 381.274 1.877 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000161984258 644855909 /nfs/dbraw/zinc/85/59/09/644855909.db2.gz MKXNXBDVDUASKC-UHFFFAOYSA-N 1 0 399.332 1.917 20 0 GDADRO [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000568407523 650957534 /nfs/dbraw/zinc/95/75/34/650957534.db2.gz YQVQMSXJSRAOIK-XOYHFGRZSA-N 1 0 383.539 1.631 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000171842288 644879208 /nfs/dbraw/zinc/87/92/08/644879208.db2.gz 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ZINC000415418135 645892436 /nfs/dbraw/zinc/89/24/36/645892436.db2.gz OCMVARIKAVOOJO-SECBINFHSA-N 1 0 386.246 1.370 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000415418780 645893109 /nfs/dbraw/zinc/89/31/09/645893109.db2.gz YRZZUFFCTBGSBJ-SECBINFHSA-N 1 0 390.253 1.897 20 0 GDADRO COc1ccc(I)c(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1 ZINC000415420522 645893497 /nfs/dbraw/zinc/89/34/97/645893497.db2.gz SRPKLJUYOJLWRA-MRVPVSSYSA-N 1 0 391.209 1.044 20 0 GDADRO O=C(Nc1ccncc1I)N1CCC2(C1)CC[NH2+]CC2 ZINC000415423473 645894086 /nfs/dbraw/zinc/89/40/86/645894086.db2.gz GROCZJUYGXEDIS-UHFFFAOYSA-N 1 0 386.237 1.716 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415422664 645894112 /nfs/dbraw/zinc/89/41/12/645894112.db2.gz ZSJQIYQEHAZKBM-MRVPVSSYSA-N 1 0 393.200 1.341 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000416304958 645901507 /nfs/dbraw/zinc/90/15/07/645901507.db2.gz ZUHCHHJNYKFDQF-QWHCGFSZSA-N 1 0 398.301 1.092 20 0 GDADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCCn2cc(Br)cn2)C[C@H](C)O1 ZINC000570794743 651055835 /nfs/dbraw/zinc/05/58/35/651055835.db2.gz AEOOQVGWLZRBSQ-VNHYZAJKSA-N 1 0 375.311 1.095 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419072350 645911490 /nfs/dbraw/zinc/91/14/90/645911490.db2.gz QTQRLYXSAQNHAD-HNNXBMFYSA-N 1 0 388.693 1.916 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000419072708 645911568 /nfs/dbraw/zinc/91/15/68/645911568.db2.gz RGHQDHXWLWIGMF-ZJUUUORDSA-N 1 0 388.693 1.928 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419172749 645913171 /nfs/dbraw/zinc/91/31/71/645913171.db2.gz ZXZSDLCKTYLJIB-DOMZBBRYSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000419400404 645916124 /nfs/dbraw/zinc/91/61/24/645916124.db2.gz KWBNENJJRCZZNR-MNOVXSKESA-N 1 0 389.283 1.327 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419400600 645916126 /nfs/dbraw/zinc/91/61/26/645916126.db2.gz LMONNRFVNGZBDZ-MRXNPFEDSA-N 1 0 387.267 1.095 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000419435285 645917282 /nfs/dbraw/zinc/91/72/82/645917282.db2.gz CKOQRGXSLCUTSA-NWDGAFQWSA-N 1 0 384.274 1.460 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000419438471 645917692 /nfs/dbraw/zinc/91/76/92/645917692.db2.gz HNOIJIXNTKIKCN-GWCFXTLKSA-N 1 0 384.274 1.270 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000419508752 645921419 /nfs/dbraw/zinc/92/14/19/645921419.db2.gz RNPPDSCRICRISR-GFCCVEGCSA-N 1 0 398.301 1.077 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)Oc1ccccc1Br ZINC000419605966 645924063 /nfs/dbraw/zinc/92/40/63/645924063.db2.gz FIGRZNWHWKWOQP-ZWNOBZJWSA-N 1 0 384.274 1.186 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)Oc1ccc(Br)cc1 ZINC000419606246 645924093 /nfs/dbraw/zinc/92/40/93/645924093.db2.gz FKGPTAQYYPESQV-LMWSTFAQSA-N 1 0 398.301 1.719 20 0 GDADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419640418 645925505 /nfs/dbraw/zinc/92/55/05/645925505.db2.gz DBUZKBGTCBIQBC-UDZFHETQSA-N 1 0 398.326 1.826 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419644066 645925880 /nfs/dbraw/zinc/92/58/80/645925880.db2.gz JGXHRTZJDBOONJ-DZGCQCFKSA-N 1 0 397.317 1.244 20 0 GDADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419646573 645926320 /nfs/dbraw/zinc/92/63/20/645926320.db2.gz ZDVATPOLCWGHDT-DDTOSNHZSA-N 1 0 384.274 1.201 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419765917 645930797 /nfs/dbraw/zinc/93/07/97/645930797.db2.gz XYSFCAYWCBNCRH-WCQYABFASA-N 1 0 385.295 1.509 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419768709 645931260 /nfs/dbraw/zinc/93/12/60/645931260.db2.gz BXSCLJQCZYPYRU-LKFCYVNXSA-N 1 0 386.265 1.961 20 0 GDADRO O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N1CC[NH2+]CC1 ZINC000419771811 645931710 /nfs/dbraw/zinc/93/17/10/645931710.db2.gz FVFACPXZBJBQIF-CQSZACIVSA-N 1 0 384.249 1.587 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000419868004 645932288 /nfs/dbraw/zinc/93/22/88/645932288.db2.gz VILXCKFJLLQDQZ-IUODEOHRSA-N 1 0 395.301 1.623 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N(CCOC)Cc1ccc(Br)s1 ZINC000419874223 645933031 /nfs/dbraw/zinc/93/30/31/645933031.db2.gz NOAYRIJTURIRKY-UHFFFAOYSA-N 1 0 392.319 1.211 20 0 GDADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349966 645940974 /nfs/dbraw/zinc/94/09/74/645940974.db2.gz RARVKCQZQXHPAJ-IUODEOHRSA-N 1 0 385.281 1.094 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000420356084 645941539 /nfs/dbraw/zinc/94/15/39/645941539.db2.gz QICLHUAPPKCXTH-JSGCOSHPSA-N 1 0 397.317 1.576 20 0 GDADRO O=S(=O)(CCN1CC[C@H](N2CC[NH2+]CC2)C1)c1cc(Cl)ccc1Cl ZINC000420351835 645941603 /nfs/dbraw/zinc/94/16/03/645941603.db2.gz XUAQIXUEESZPDG-AWEZNQCLSA-N 1 0 392.352 1.747 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000420476315 645944129 /nfs/dbraw/zinc/94/41/29/645944129.db2.gz PROOVNRXIHDGSQ-GWCFXTLKSA-N 1 0 380.919 1.303 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1OC ZINC000420478492 645944777 /nfs/dbraw/zinc/94/47/77/645944777.db2.gz LOBFGVPSZANBGJ-QWRGUYRKSA-N 1 0 389.905 1.314 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000570920109 651060191 /nfs/dbraw/zinc/06/01/91/651060191.db2.gz NBNZPABOZSQOKH-NEPJUHHUSA-N 1 0 391.946 1.670 20 0 GDADRO O=C(NCC[NH+]1CCCCC1)C(=O)N1CCc2c1cccc2Br ZINC000421172949 645988085 /nfs/dbraw/zinc/98/80/85/645988085.db2.gz MCPFOMLROHVDOL-UHFFFAOYSA-N 1 0 380.286 1.940 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421297665 646002128 /nfs/dbraw/zinc/00/21/28/646002128.db2.gz FBXRAULAAGUTSR-LBPRGKRZSA-N 1 0 380.286 1.891 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3c2cccc3Br)CC1=O ZINC000421941862 646026843 /nfs/dbraw/zinc/02/68/43/646026843.db2.gz AUGHTIWQEFRNIX-LBPRGKRZSA-N 1 0 380.286 1.748 20 0 GDADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000422100090 646039590 /nfs/dbraw/zinc/03/95/90/646039590.db2.gz PJTIIRVLDMLEEF-NSHDSACASA-N 1 0 388.331 1.975 20 0 GDADRO CC(C)(CC[NH3+])NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000422549717 646077508 /nfs/dbraw/zinc/07/75/08/646077508.db2.gz HJIORXOAGQOSTO-UHFFFAOYSA-N 1 0 399.332 1.258 20 0 GDADRO O[C@H](C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)COc1ccccc1Br ZINC000422935253 646101464 /nfs/dbraw/zinc/10/14/64/646101464.db2.gz GYUQNDPBLGOUHT-KBRIMQKVSA-N 1 0 385.302 1.545 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@@H](C)[NH3+] ZINC000422945891 646101831 /nfs/dbraw/zinc/10/18/31/646101831.db2.gz VPDNILKKBVRTLQ-CJNGLKHVSA-N 1 0 387.933 1.792 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)CC1 ZINC000422995810 646106958 /nfs/dbraw/zinc/10/69/58/646106958.db2.gz ZIPKSJWXXNXEBM-GFCCVEGCSA-N 1 0 382.302 1.993 20 0 GDADRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000423054390 646110301 /nfs/dbraw/zinc/11/03/01/646110301.db2.gz BSQDFYVHNVQVTR-ZIAGYGMSSA-N 1 0 386.484 1.358 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423084176 646112151 /nfs/dbraw/zinc/11/21/51/646112151.db2.gz HOCQZPWJXZYGBM-QGZVFWFLSA-N 1 0 380.286 1.762 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NC2CC([NH+](C)C)C2)cc1Br ZINC000916930369 660203629 /nfs/dbraw/zinc/20/36/29/660203629.db2.gz LWAGPEJURSULRF-UHFFFAOYSA-N 1 0 390.303 1.778 20 0 GDADRO Cc1cc(NC(=O)CNC(=O)c2cn(CCC[NH3+])nn2)ccc1Br ZINC000423130489 646115840 /nfs/dbraw/zinc/11/58/40/646115840.db2.gz YOTOIERPPPICPP-UHFFFAOYSA-N 1 0 395.261 1.066 20 0 GDADRO COC[C@@]1(C(=O)NCCCNC(=O)c2cccc(Br)c2)CC[NH2+]C1 ZINC000423124050 646115852 /nfs/dbraw/zinc/11/58/52/646115852.db2.gz LVRCJJWFMLXALV-QGZVFWFLSA-N 1 0 398.301 1.311 20 0 GDADRO COc1ccc(CNC(=O)c2cn(CCCC[NH3+])nn2)cc1Br ZINC000423139042 646116506 /nfs/dbraw/zinc/11/65/06/646116506.db2.gz KBLHQZLFJRPCRE-UHFFFAOYSA-N 1 0 382.262 1.718 20 0 GDADRO COc1c(F)cc(S(=O)(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1F ZINC000916629844 660197448 /nfs/dbraw/zinc/19/74/48/660197448.db2.gz KNJGCSGQBZUKNO-UHFFFAOYSA-N 1 0 376.425 1.459 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000423271511 646123055 /nfs/dbraw/zinc/12/30/55/646123055.db2.gz XVQGBISKXKCSST-AWEZNQCLSA-N 1 0 392.258 1.710 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CCO1 ZINC000423355184 646123199 /nfs/dbraw/zinc/12/31/99/646123199.db2.gz DXWWTMHDBNKZTF-GJZGRUSLSA-N 1 0 383.901 1.143 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000423516102 646126032 /nfs/dbraw/zinc/12/60/32/646126032.db2.gz ASEPUXZLRXDWFY-NSHDSACASA-N 1 0 398.276 1.541 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000423525522 646127212 /nfs/dbraw/zinc/12/72/12/646127212.db2.gz UHSUAKBKSMJTBD-CYBMUJFWSA-N 1 0 394.313 1.792 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000423525523 646127429 /nfs/dbraw/zinc/12/74/29/646127429.db2.gz UHSUAKBKSMJTBD-ZDUSSCGKSA-N 1 0 394.313 1.792 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423529016 646128053 /nfs/dbraw/zinc/12/80/53/646128053.db2.gz PMLQWSKXJCINAI-ZDUSSCGKSA-N 1 0 375.416 1.739 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000423535697 646129149 /nfs/dbraw/zinc/12/91/49/646129149.db2.gz YBNJCLPXHYNBOX-AAEUAGOBSA-N 1 0 386.279 1.793 20 0 GDADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423585718 646133873 /nfs/dbraw/zinc/13/38/73/646133873.db2.gz AFGCDFIESUWOIZ-HNNXBMFYSA-N 1 0 382.302 1.790 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC[NH2+]1 ZINC000423598033 646135670 /nfs/dbraw/zinc/13/56/70/646135670.db2.gz VGPXGQVCNDGAIP-FZMZJTMJSA-N 1 0 381.274 1.328 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000423600391 646135764 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1.834 20 0 GDADRO C[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C[C@@H]1C[NH3+] ZINC000424006938 646151823 /nfs/dbraw/zinc/15/18/23/646151823.db2.gz GLDIJCLXAAXBDC-KGLIPLIRSA-N 1 0 385.555 1.518 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCCO1 ZINC000424021441 646153818 /nfs/dbraw/zinc/15/38/18/646153818.db2.gz NQYBOSLBVCTRCV-STQMWFEESA-N 1 0 386.279 1.923 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CCCO1 ZINC000424027368 646154649 /nfs/dbraw/zinc/15/46/49/646154649.db2.gz VYPVJIXTWPZIHC-IAQYHMDHSA-N 1 0 386.279 1.923 20 0 GDADRO C[C@@H]1C[C@H](C)N(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000424050647 646156582 /nfs/dbraw/zinc/15/65/82/646156582.db2.gz FECJVGZBMRWRKD-HZSPNIEDSA-N 1 0 387.933 1.840 20 0 GDADRO COc1ccc(C(=O)N2CCC(O)(C[NH3+])CC2)c(I)c1 ZINC000424056431 646156728 /nfs/dbraw/zinc/15/67/28/646156728.db2.gz KRWIYRUEMQGLKD-UHFFFAOYSA-N 1 0 390.221 1.226 20 0 GDADRO Cn1cc([C@@H]2CN([C@H](C(N)=O)c3cccc(Br)c3)C[C@H]2[NH3+])cn1 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C[C@H](NC(=O)C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000510799831 648342409 /nfs/dbraw/zinc/34/24/09/648342409.db2.gz URXKQOSCJKVFJZ-RCBQFDQVSA-N 1 0 387.933 1.967 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCn1cc(Br)cn1 ZINC000511235152 648361782 /nfs/dbraw/zinc/36/17/82/648361782.db2.gz PYDWHROLIWITMP-CQSZACIVSA-N 1 0 388.310 1.398 20 0 GDADRO CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000511387941 648374007 /nfs/dbraw/zinc/37/40/07/648374007.db2.gz MWHCAYCONXGSON-MRXNPFEDSA-N 1 0 376.567 1.564 20 0 GDADRO COC(=O)C[C@@](C)([NH2+]CCCS(N)(=O)=O)c1ccc(Br)cc1 ZINC000513163477 648423826 /nfs/dbraw/zinc/42/38/26/648423826.db2.gz AVXBLJRJLPVZHW-CQSZACIVSA-N 1 0 393.303 1.496 20 0 GDADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000513746846 648440218 /nfs/dbraw/zinc/44/02/18/648440218.db2.gz FHISKHNBIYAPTD-OAHLLOKOSA-N 1 0 387.933 1.994 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NCCS(=O)(=O)NC(C)C)c1ccsc1 ZINC000514243156 648451482 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Cc1cc(N2CCSCC2)ccc1NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602475991 652638993 /nfs/dbraw/zinc/63/89/93/652638993.db2.gz VJBPQXRWJYTUNL-RUZDIDTESA-N 1 0 381.567 1.987 20 0 GDADRO C[S@@](=O)C1(C(=O)NCc2ccc(OCC(F)(F)F)nc2)CC[NH2+]CC1 ZINC000602473891 652639000 /nfs/dbraw/zinc/63/90/00/652639000.db2.gz LTTRPZFYFGRUBT-RUZDIDTESA-N 1 0 379.404 1.140 20 0 GDADRO CN(CCOCC[NH3+])C(=O)COc1cccc(I)c1 ZINC000602549422 652640929 /nfs/dbraw/zinc/64/09/29/652640929.db2.gz CWQBPTKEQVHTFV-UHFFFAOYSA-N 1 0 378.210 1.104 20 0 GDADRO COc1cc(I)c(C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1OC ZINC000602571823 652641777 /nfs/dbraw/zinc/64/17/77/652641777.db2.gz OTMHRTJRFDTBHU-GZMMTYOYSA-N 1 0 390.221 1.789 20 0 GDADRO C[S@](=O)C1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCC1 ZINC000602646746 652644180 /nfs/dbraw/zinc/64/41/80/652644180.db2.gz DJMVBOAEHUZEKW-FQEVSTJZSA-N 1 0 395.344 1.487 20 0 GDADRO Cn1cc(I)c(C(=O)NCC[NH+]2CCCCCC2)n1 ZINC000602782671 652646206 /nfs/dbraw/zinc/64/62/06/652646206.db2.gz JFQHPHXFMUXCMH-UHFFFAOYSA-N 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O=c1[nH]cc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)s1 ZINC000631950453 653277816 /nfs/dbraw/zinc/27/78/16/653277816.db2.gz IQICIRHUCVOUCA-UHFFFAOYSA-N 1 0 377.557 1.879 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ncsc2Br)CCOCC1 ZINC000631968047 653280960 /nfs/dbraw/zinc/28/09/60/653280960.db2.gz QUIGTJRMXNSLJD-UHFFFAOYSA-N 1 0 398.348 1.436 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1Br ZINC000631972522 653282477 /nfs/dbraw/zinc/28/24/77/653282477.db2.gz GBFZTOFYOHMRJU-KOLCDFICSA-N 1 0 390.303 1.826 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)cc2C1 ZINC000631977506 653283732 /nfs/dbraw/zinc/28/37/32/653283732.db2.gz RGYUDURCESDYNT-AWEZNQCLSA-N 1 0 385.555 1.709 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000631978692 653283831 /nfs/dbraw/zinc/28/38/31/653283831.db2.gz GWUHWIWERBBXCV-AWEZNQCLSA-N 1 0 388.555 1.763 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631992211 653286310 /nfs/dbraw/zinc/28/63/10/653286310.db2.gz ROIWIPIYDIRMPH-GXSJLCMTSA-N 1 0 380.333 1.809 20 0 GDADRO CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)s1 ZINC000632024016 653291599 /nfs/dbraw/zinc/29/15/99/653291599.db2.gz AYQJBYRIFHKMHH-OAHLLOKOSA-N 1 0 388.603 1.974 20 0 GDADRO CN1CCO[C@H](CS(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000632028260 653292309 /nfs/dbraw/zinc/29/23/09/653292309.db2.gz WSNJSXSOPJFBON-ZOBUZTSGSA-N 1 0 387.571 1.381 20 0 GDADRO CCc1nsc(N2CCCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)n1 ZINC000632053130 653296288 /nfs/dbraw/zinc/29/62/88/653296288.db2.gz LIQHZNTXCCRCKQ-UHFFFAOYSA-N 1 0 387.575 1.428 20 0 GDADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000632206621 653317003 /nfs/dbraw/zinc/31/70/03/653317003.db2.gz ONUXOSLRFJWHPG-UHFFFAOYSA-N 1 0 387.527 1.237 20 0 GDADRO C[NH+](C)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)C[C@@H]1O ZINC000632349993 653342618 /nfs/dbraw/zinc/34/26/18/653342618.db2.gz RFOPJUFSMGQPAI-QWRGUYRKSA-N 1 0 383.695 1.398 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1F ZINC000632382648 653350402 /nfs/dbraw/zinc/35/04/02/653350402.db2.gz AUFBXSLGPQYGOM-UHFFFAOYSA-N 1 0 388.281 1.957 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCc3sc(Cl)cc3C2)CC1 ZINC000632497152 653364864 /nfs/dbraw/zinc/36/48/64/653364864.db2.gz YSQYNUOYOTXHHW-UHFFFAOYSA-N 1 0 377.963 1.727 20 0 GDADRO O=c1[nH]c2ccc(S(=O)(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)cc2s1 ZINC000632571009 653377443 /nfs/dbraw/zinc/37/74/43/653377443.db2.gz FHIUZFBRQPKRHW-LBPRGKRZSA-N 1 0 383.495 1.222 20 0 GDADRO C[C@@H]1CN(C(=O)COc2ccc(Br)cn2)CC[N@@H+]1CC(C)(C)O ZINC000632679803 653399285 /nfs/dbraw/zinc/39/92/85/653399285.db2.gz RGQFSNHRWFZOHY-GFCCVEGCSA-N 1 0 386.290 1.527 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000632942590 653416225 /nfs/dbraw/zinc/41/62/25/653416225.db2.gz KMLRDUWAPMXPPV-QWRGUYRKSA-N 1 0 384.278 1.634 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000632957465 653417066 /nfs/dbraw/zinc/41/70/66/653417066.db2.gz JIHUHANHWBKHGP-UHFFFAOYSA-N 1 0 380.246 1.986 20 0 GDADRO O=C(Nc1ccccc1-n1cc(Br)cn1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633029663 653422124 /nfs/dbraw/zinc/42/21/24/653422124.db2.gz WABQNJMRVCTKFL-RYUDHWBXSA-N 1 0 390.241 1.146 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000633039367 653423090 /nfs/dbraw/zinc/42/30/90/653423090.db2.gz SQBQNXLCZXPRJW-DTWKUNHWSA-N 1 0 386.246 1.353 20 0 GDADRO O=C(c1cc(Br)c2nccn2c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000633069101 653425485 /nfs/dbraw/zinc/42/54/85/653425485.db2.gz GRKYPDDLJJDDHL-QWHCGFSZSA-N 1 0 379.258 1.378 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633098407 653427017 /nfs/dbraw/zinc/42/70/17/653427017.db2.gz MDBRBZXZGQKGCC-TXEJJXNPSA-N 1 0 384.249 1.509 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCc3cc(C)cc(Br)c3C2)C1 ZINC000633112263 653428608 /nfs/dbraw/zinc/42/86/08/653428608.db2.gz DAIMAFFCJZKFNR-CYBMUJFWSA-N 1 0 380.286 1.463 20 0 GDADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000633783946 653471740 /nfs/dbraw/zinc/47/17/40/653471740.db2.gz VMMRFMALRRCUGJ-BSWAZPDLSA-N 1 0 376.298 1.593 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000634118588 653487713 /nfs/dbraw/zinc/48/77/13/653487713.db2.gz HCIJGOLIMVKEQV-UHFFFAOYSA-N 1 0 387.571 1.786 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000634118032 653487734 /nfs/dbraw/zinc/48/77/34/653487734.db2.gz CLSOPWXKCUCREY-UHFFFAOYSA-N 1 0 387.278 1.044 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCCC12CC2 ZINC000634724631 653497493 /nfs/dbraw/zinc/49/74/93/653497493.db2.gz UFRVENGNQKKUQX-INIZCTEOSA-N 1 0 386.539 1.633 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634766875 653498481 /nfs/dbraw/zinc/49/84/81/653498481.db2.gz YZQXNHXFPKCXFZ-QGHHPUGFSA-N 1 0 392.253 1.303 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cscc2Cl)CC1 ZINC000635047203 653504940 /nfs/dbraw/zinc/50/49/40/653504940.db2.gz QWNKDAHCAHGTHP-UHFFFAOYSA-N 1 0 386.905 1.353 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CNc1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000635108858 653506521 /nfs/dbraw/zinc/50/65/21/653506521.db2.gz RYKLTNGAKREACM-OAHLLOKOSA-N 1 0 381.523 1.983 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000636768341 653525272 /nfs/dbraw/zinc/52/52/72/653525272.db2.gz NCECPJGRFMRWKX-HZPDHXFCSA-N 1 0 389.327 1.962 20 0 GDADRO C[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)Oc1ccccc1Br ZINC000636890692 653525750 /nfs/dbraw/zinc/52/57/50/653525750.db2.gz WPNDOJHBMSEUNS-CHWSQXEVSA-N 1 0 386.290 1.582 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000637636802 653530399 /nfs/dbraw/zinc/53/03/99/653530399.db2.gz XHVPATSYOZIBES-UHFFFAOYSA-N 1 0 395.305 1.851 20 0 GDADRO O=C(CN1CC[NH2+]CC1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000637982327 653534160 /nfs/dbraw/zinc/53/41/60/653534160.db2.gz AZQZTGCCZBNSHR-OAHLLOKOSA-N 1 0 376.259 1.938 20 0 GDADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000638323575 653538120 /nfs/dbraw/zinc/53/81/20/653538120.db2.gz KHVDAHDJKHXJHN-BLLLJJGKSA-N 1 0 395.257 1.882 20 0 GDADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1c(F)cncc1Br ZINC000638333591 653538349 /nfs/dbraw/zinc/53/83/49/653538349.db2.gz YUEZRXIFAVPSGO-UHFFFAOYSA-N 1 0 385.281 1.929 20 0 GDADRO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638548987 653539339 /nfs/dbraw/zinc/53/93/39/653539339.db2.gz MLMASGMIDSFRLZ-IJLUTSLNSA-N 1 0 381.464 1.920 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000638568147 653540246 /nfs/dbraw/zinc/54/02/46/653540246.db2.gz KHOOQBDWBZJKLM-QWHCGFSZSA-N 1 0 380.242 1.302 20 0 GDADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000638596400 653541401 /nfs/dbraw/zinc/54/14/01/653541401.db2.gz OUAPIIIYBSPTRO-VBQJREDUSA-N 1 0 396.285 1.438 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)C[NH2+]1 ZINC000638648184 653541694 /nfs/dbraw/zinc/54/16/94/653541694.db2.gz LEHVJPMUQDETHV-ZYHUDNBSSA-N 1 0 386.265 1.965 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000638650271 653541698 /nfs/dbraw/zinc/54/16/98/653541698.db2.gz KONCNPJRSLBRDL-VHSXEESVSA-N 1 0 380.297 1.528 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC000638656074 653542217 /nfs/dbraw/zinc/54/22/17/653542217.db2.gz JUKXMCKKZSANLB-CMPLNLGQSA-N 1 0 379.404 1.240 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638764294 653543100 /nfs/dbraw/zinc/54/31/00/653543100.db2.gz ASKVYSJOERQXLL-OUJBWJOFSA-N 1 0 379.404 1.239 20 0 GDADRO CC(C)(C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)N1CCOCC1 ZINC000638772637 653543340 /nfs/dbraw/zinc/54/33/40/653543340.db2.gz YIEWTWWMHBQGSB-UHFFFAOYSA-N 1 0 381.951 1.380 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCOc2ncccc2C(F)(F)F)s1 ZINC000638789953 653543685 /nfs/dbraw/zinc/54/36/85/653543685.db2.gz NMYJNYVOTUWWQN-UHFFFAOYSA-N 1 0 381.401 1.978 20 0 GDADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000638827455 653544301 /nfs/dbraw/zinc/54/43/01/653544301.db2.gz LFVCUIDJCDPAOF-HIFRSBDPSA-N 1 0 378.300 1.471 20 0 GDADRO CC(C)OC[C@H]([NH3+])C(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000638828631 653544476 /nfs/dbraw/zinc/54/44/76/653544476.db2.gz XLGUXSGOMFCFKJ-ZFWWWQNUSA-N 1 0 379.284 1.944 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000638829198 653544503 /nfs/dbraw/zinc/54/45/03/653544503.db2.gz NKFZZGUHBHTSBM-LBPRGKRZSA-N 1 0 381.267 1.309 20 0 GDADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639084321 653545753 /nfs/dbraw/zinc/54/57/53/653545753.db2.gz MLWTZMYXRXFJKB-LBPRGKRZSA-N 1 0 375.922 1.264 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639772677 653553147 /nfs/dbraw/zinc/55/31/47/653553147.db2.gz LFAQKPBFYFKAHI-ZDUSSCGKSA-N 1 0 392.319 1.579 20 0 GDADRO CC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639819163 653554137 /nfs/dbraw/zinc/55/41/37/653554137.db2.gz FVZGHCKDXCFZDZ-LLVKDONJSA-N 1 0 375.420 1.918 20 0 GDADRO O[C@H](COc1cc(Cl)ccc1Cl)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641199861 653562696 /nfs/dbraw/zinc/56/26/96/653562696.db2.gz CTFOJILWTWWRGL-AWEZNQCLSA-N 1 0 386.283 1.430 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(C[C@H](O)COc2cc(Cl)ccc2Cl)nn1 ZINC000641200269 653562830 /nfs/dbraw/zinc/56/28/30/653562830.db2.gz GDZGOMQICHNJKJ-JSGCOSHPSA-N 1 0 389.283 1.931 20 0 GDADRO COCC[C@@H]([NH3+])Cc1cn(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000641205201 653563051 /nfs/dbraw/zinc/56/30/51/653563051.db2.gz IITAVLIVOPUAAT-DGCLKSJQSA-N 1 0 389.283 1.931 20 0 GDADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC000641323374 653564447 /nfs/dbraw/zinc/56/44/47/653564447.db2.gz KOMNSORQGBWGAG-SNVBAGLBSA-N 1 0 388.291 1.112 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000641441793 653568172 /nfs/dbraw/zinc/56/81/72/653568172.db2.gz OLXBLHMFHUHDGT-GHMZBOCLSA-N 1 0 384.278 1.551 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642105597 653577074 /nfs/dbraw/zinc/57/70/74/653577074.db2.gz MAKJNMZLLCENMA-IUODEOHRSA-N 1 0 382.302 1.755 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642249381 653578076 /nfs/dbraw/zinc/57/80/76/653578076.db2.gz VKQWWIZCHNGUGV-XHDPSFHLSA-N 1 0 398.276 1.457 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000642777875 653579183 /nfs/dbraw/zinc/57/91/83/653579183.db2.gz UODPSFDCZAEFFU-TZMCWYRMSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)Oc1ccc(Br)cc1 ZINC000642777842 653579192 /nfs/dbraw/zinc/57/91/92/653579192.db2.gz OAQJWDSZXWZRMA-LBPRGKRZSA-N 1 0 398.301 1.672 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000642808414 653579441 /nfs/dbraw/zinc/57/94/41/653579441.db2.gz DZIJTLXNNLXKPI-LLVKDONJSA-N 1 0 386.290 1.751 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000642902014 653579581 /nfs/dbraw/zinc/57/95/81/653579581.db2.gz IGSSXLGAXLJWEX-LLVKDONJSA-N 1 0 398.276 1.731 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643475563 653583032 /nfs/dbraw/zinc/58/30/32/653583032.db2.gz NLJPPBAHHIGXMF-ZFWWWQNUSA-N 1 0 380.286 1.618 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643487695 653583119 /nfs/dbraw/zinc/58/31/19/653583119.db2.gz JSOMRNFQDAWFGE-SWLSCSKDSA-N 1 0 398.301 1.372 20 0 GDADRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000643502448 653583227 /nfs/dbraw/zinc/58/32/27/653583227.db2.gz GWXJSWDPBUDIIY-JQWIXIFHSA-N 1 0 376.320 1.889 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000643560007 653583535 /nfs/dbraw/zinc/58/35/35/653583535.db2.gz DQYMYDJJWCYXOT-CQSZACIVSA-N 1 0 395.301 1.847 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1Br ZINC000644304141 653597490 /nfs/dbraw/zinc/59/74/90/653597490.db2.gz ZMXVRBMVKDBNAY-GWCFXTLKSA-N 1 0 375.288 1.782 20 0 GDADRO CS(=O)(=O)NC1(C[NH2+]C[C@H](O)COCc2cccs2)CCCCC1 ZINC000644515010 653599046 /nfs/dbraw/zinc/59/90/46/653599046.db2.gz AXUHMWVLQKUZAB-AWEZNQCLSA-N 1 0 376.544 1.467 20 0 GDADRO O[C@H](C[NH2+]CCc1cc(Cl)ccc1Br)CN1CCOCC1 ZINC000644603918 653599548 /nfs/dbraw/zinc/59/95/48/653599548.db2.gz WNKFSWSQHBJCSV-CQSZACIVSA-N 1 0 377.710 1.928 20 0 GDADRO O=S1(=O)CC(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000644630216 653599724 /nfs/dbraw/zinc/59/97/24/653599724.db2.gz LJJMWGOXHQHISQ-ZDUSSCGKSA-N 1 0 396.278 1.352 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1cc(Br)cs1 ZINC000645165762 653601774 /nfs/dbraw/zinc/60/17/74/653601774.db2.gz QRUFKDHFRGBZFO-JTQLQIEISA-N 1 0 389.319 1.772 20 0 GDADRO CCCN(C(=O)NCCn1cc(Br)ccc1=O)[C@@H]1CC[N@H+](C)C1 ZINC000645523532 653603667 /nfs/dbraw/zinc/60/36/67/653603667.db2.gz HKZJDEGBFNPXCY-CQSZACIVSA-N 1 0 385.306 1.737 20 0 GDADRO CO[C@H](CS(=O)(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC000645613469 653604654 /nfs/dbraw/zinc/60/46/54/653604654.db2.gz NNFSMCVUSUECAW-GOSISDBHSA-N 1 0 375.579 1.478 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000645616193 653604733 /nfs/dbraw/zinc/60/47/33/653604733.db2.gz LCEVWXFUWOYCSL-NILFDRSVSA-N 1 0 389.905 1.616 20 0 GDADRO CO[C@H](CS(=O)(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC000645633352 653605126 /nfs/dbraw/zinc/60/51/26/653605126.db2.gz DBEOLRNTNJOQJN-GOSISDBHSA-N 1 0 375.579 1.478 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)Cc1c(F)cccc1Cl ZINC000645836732 653607379 /nfs/dbraw/zinc/60/73/79/653607379.db2.gz ZWACLNGYKKMVBR-NSHDSACASA-N 1 0 377.869 1.361 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000646052694 653608732 /nfs/dbraw/zinc/60/87/32/653608732.db2.gz XXBMYLSIWSYRBS-OAHLLOKOSA-N 1 0 387.933 1.951 20 0 GDADRO C[C@H](NC(=O)c1cc(Cl)ccc1Br)C(=O)NCC[NH+](C)C ZINC000646232535 653609221 /nfs/dbraw/zinc/60/92/21/653609221.db2.gz KATSJQNIOYYUEC-VIFPVBQESA-N 1 0 376.682 1.899 20 0 GDADRO CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000646359840 653609928 /nfs/dbraw/zinc/60/99/28/653609928.db2.gz SGKQYGQTPCOQKK-NSHDSACASA-N 1 0 380.495 1.510 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1[nH]nc(C2CC2)c1Br ZINC000646455607 653610305 /nfs/dbraw/zinc/61/03/05/653610305.db2.gz QJNMGNOREPIQKI-NEPJUHHUSA-N 1 0 383.290 1.985 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc23)C1 ZINC000646666032 653612243 /nfs/dbraw/zinc/61/22/43/653612243.db2.gz RGMBSSPVLWOGKI-LLVKDONJSA-N 1 0 393.285 1.858 20 0 GDADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cc(F)c(F)cc1Br ZINC000646803572 653614131 /nfs/dbraw/zinc/61/41/31/653614131.db2.gz ODVHFDWUTBMYRE-UHFFFAOYSA-N 1 0 387.188 1.507 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1OC ZINC000647223326 653623407 /nfs/dbraw/zinc/62/34/07/653623407.db2.gz YSPIDTRRWTZSLA-ZWNOBZJWSA-N 1 0 389.905 1.456 20 0 GDADRO Cc1c(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000647233647 653623684 /nfs/dbraw/zinc/62/36/84/653623684.db2.gz BPNIFTQYXGXQJK-IAQYHMDHSA-N 1 0 384.889 1.571 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000647233601 653623708 /nfs/dbraw/zinc/62/37/08/653623708.db2.gz AOLFOMZFVWSWOA-CABZTGNLSA-N 1 0 379.276 1.194 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000647233828 653623816 /nfs/dbraw/zinc/62/38/16/653623816.db2.gz FLNUDUXKOPONMU-RNCFNFMXSA-N 1 0 379.276 1.194 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000647234726 653623901 /nfs/dbraw/zinc/62/39/01/653623901.db2.gz YVKXSGCWDBYDBY-LDYMZIIASA-N 1 0 383.695 1.839 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c1OC ZINC000647303235 653625726 /nfs/dbraw/zinc/62/57/26/653625726.db2.gz OBXWGWMESJVHBA-ZDUSSCGKSA-N 1 0 387.889 1.129 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000647309499 653625906 /nfs/dbraw/zinc/62/59/06/653625906.db2.gz YQQUXBHFXFGSHX-GASCZTMLSA-N 1 0 386.539 1.490 20 0 GDADRO O[C@@H](CNC[C@H](O)C[NH+]1CCCCC1)COc1ccc(Br)cc1 ZINC000647517849 653628033 /nfs/dbraw/zinc/62/80/33/653628033.db2.gz MCLFDZPWUCRVSS-HOTGVXAUSA-N 1 0 387.318 1.625 20 0 GDADRO CSc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)[NH+](C)C)cc1 ZINC000647580772 653629102 /nfs/dbraw/zinc/62/91/02/653629102.db2.gz LJVIJUJRYQKQDN-JKSUJKDBSA-N 1 0 385.555 1.551 20 0 GDADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647775661 653634033 /nfs/dbraw/zinc/63/40/33/653634033.db2.gz XXAXRGCPDHHBQN-GFCCVEGCSA-N 1 0 387.311 1.475 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000647779778 653634309 /nfs/dbraw/zinc/63/43/09/653634309.db2.gz QPURVTOIROBPKF-LLVKDONJSA-N 1 0 379.404 1.052 20 0 GDADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000647832566 653635759 /nfs/dbraw/zinc/63/57/59/653635759.db2.gz BGVZOEYTWGOIAW-UKRRQHHQSA-N 1 0 385.555 1.626 20 0 GDADRO CC1(OCC(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C[NH2+]C1 ZINC000648042216 653637590 /nfs/dbraw/zinc/63/75/90/653637590.db2.gz UMVWPUMPKWBAPB-UHFFFAOYSA-N 1 0 396.285 1.112 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000648122430 653639381 /nfs/dbraw/zinc/63/93/81/653639381.db2.gz XUOFCOZMKHTXMV-VXGBXAGGSA-N 1 0 375.288 1.609 20 0 GDADRO CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000648145754 653639974 /nfs/dbraw/zinc/63/99/74/653639974.db2.gz DIQWJFMEYIWHTF-DGCLKSJQSA-N 1 0 381.420 1.227 20 0 GDADRO [NH3+]Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)o1 ZINC000648163232 653640115 /nfs/dbraw/zinc/64/01/15/653640115.db2.gz LJNBWDWSYDELEG-CQSZACIVSA-N 1 0 378.226 1.814 20 0 GDADRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000648163250 653640217 /nfs/dbraw/zinc/64/02/17/653640217.db2.gz MJXVRLXHOPEYSZ-HUUCEWRRSA-N 1 0 392.297 1.838 20 0 GDADRO CC1(OCC(=O)NCc2nc(-c3cccc(Br)c3)no2)C[NH2+]C1 ZINC000648174299 653640393 /nfs/dbraw/zinc/64/03/93/653640393.db2.gz BEQDILHUNFUQKE-UHFFFAOYSA-N 1 0 381.230 1.494 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Br)s1)NCCC[NH2+]C1CC1 ZINC000648202915 653641119 /nfs/dbraw/zinc/64/11/19/653641119.db2.gz YRXNIXOBILLNPZ-UHFFFAOYSA-N 1 0 396.332 1.047 20 0 GDADRO CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)c2cccs2)CC1 ZINC000648220169 653641425 /nfs/dbraw/zinc/64/14/25/653641425.db2.gz LHANAOJJJYWFNV-HOCLYGCPSA-N 1 0 385.555 1.671 20 0 GDADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648264130 653643120 /nfs/dbraw/zinc/64/31/20/653643120.db2.gz FCPUHIJDCQEDKU-MRXNPFEDSA-N 1 0 383.539 1.516 20 0 GDADRO C[C@@H](CC(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)n1cc(Br)cn1 ZINC000648336570 653645879 /nfs/dbraw/zinc/64/58/79/653645879.db2.gz DDBIMMXPCUMSOC-LBPRGKRZSA-N 1 0 396.289 1.959 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)n1cc(Br)cn1 ZINC000648796503 653656088 /nfs/dbraw/zinc/65/60/88/653656088.db2.gz FFAWCZHBAYCORR-ZIAGYGMSSA-N 1 0 385.306 1.777 20 0 GDADRO COc1c(Br)ccc(C)c1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649068641 653663006 /nfs/dbraw/zinc/66/30/06/653663006.db2.gz KPWZEYWVWODUCH-LBPRGKRZSA-N 1 0 398.301 1.958 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649070693 653663199 /nfs/dbraw/zinc/66/31/99/653663199.db2.gz STJLNJFZVZLJJY-JTQLQIEISA-N 1 0 385.262 1.050 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000649072963 653663466 /nfs/dbraw/zinc/66/34/66/653663466.db2.gz MEZFPSUAIRPCMA-BXUZGUMPSA-N 1 0 396.285 1.504 20 0 GDADRO CC(C)c1n[nH]c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1Br ZINC000649075645 653663861 /nfs/dbraw/zinc/66/38/61/653663861.db2.gz IFJKCGZQVNXIMC-JTQLQIEISA-N 1 0 386.294 1.488 20 0 GDADRO Cc1cccc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)c1Br ZINC000649422345 653667390 /nfs/dbraw/zinc/66/73/90/653667390.db2.gz ODFUCASLTBVARC-UHFFFAOYSA-N 1 0 376.320 1.283 20 0 GDADRO COCC[N@@H+]1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000649851281 653676357 /nfs/dbraw/zinc/67/63/57/653676357.db2.gz ROLNAYCQCXVMTJ-UHFFFAOYSA-N 1 0 375.922 1.530 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)cn1 ZINC000650242424 653689322 /nfs/dbraw/zinc/68/93/22/653689322.db2.gz JXVIRJFMBFMDAC-UHFFFAOYSA-N 1 0 384.487 1.016 20 0 GDADRO C[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1ccc(Br)s1 ZINC000650305729 653690910 /nfs/dbraw/zinc/69/09/10/653690910.db2.gz IEVODDMRVRLPSS-LLVKDONJSA-N 1 0 388.331 1.847 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1=O ZINC000650306632 653691064 /nfs/dbraw/zinc/69/10/64/653691064.db2.gz VBYUJLZCUZCLPS-UHFFFAOYSA-N 1 0 388.693 1.949 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1=O ZINC000650309653 653691505 /nfs/dbraw/zinc/69/15/05/653691505.db2.gz XNTNFVQSPDENJW-JKSUJKDBSA-N 1 0 394.313 1.785 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1=O ZINC000650310116 653691517 /nfs/dbraw/zinc/69/15/17/653691517.db2.gz MZZUBGYCRGKDPQ-JKSUJKDBSA-N 1 0 394.313 1.785 20 0 GDADRO O=C([C@H]1CCS(=O)(=O)N1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000651284240 653817940 /nfs/dbraw/zinc/81/79/40/653817940.db2.gz BFMCTMPHPDFURI-MRXNPFEDSA-N 1 0 385.917 1.456 20 0 GDADRO CC[N@H+](CCCNS(=O)(=O)CCCN1CCOCC1)C1CCCCC1 ZINC000651804559 653858536 /nfs/dbraw/zinc/85/85/36/653858536.db2.gz KOARVVMCGGWYBY-UHFFFAOYSA-N 1 0 375.579 1.673 20 0 GDADRO [NH3+]CC1(CCNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000652188889 653884449 /nfs/dbraw/zinc/88/44/49/653884449.db2.gz WZQNUXLJEGZRSD-UHFFFAOYSA-N 1 0 392.884 1.186 20 0 GDADRO CCO[C@@H]1CN(CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000652357569 653888363 /nfs/dbraw/zinc/88/83/63/653888363.db2.gz YCHTVTPSRDUUMQ-BXUZGUMPSA-N 1 0 390.347 1.765 20 0 GDADRO O=S(=O)(Cc1ccc(Cl)cc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000652369972 653888808 /nfs/dbraw/zinc/88/88/08/653888808.db2.gz KZQZSJUADHAPNP-ZDUSSCGKSA-N 1 0 385.839 1.596 20 0 GDADRO O=S(=O)(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)c(F)c1 ZINC000652369817 653888901 /nfs/dbraw/zinc/88/89/01/653888901.db2.gz BRRNTPZUEJZJQB-LBPRGKRZSA-N 1 0 389.802 1.594 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)C1 ZINC000652375464 653889859 /nfs/dbraw/zinc/88/98/59/653889859.db2.gz RLTVQHORZNUHQI-OUCADQQQSA-N 1 0 382.511 1.598 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000653124079 653906857 /nfs/dbraw/zinc/90/68/57/653906857.db2.gz QFNDERCKERHJIH-KRWDZBQOSA-N 1 0 397.361 1.809 20 0 GDADRO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000653139759 653907274 /nfs/dbraw/zinc/90/72/74/653907274.db2.gz UYWMHCLFXFYIPD-GJZGRUSLSA-N 1 0 394.313 1.821 20 0 GDADRO CCO[C@@H]1CN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000653244677 653909147 /nfs/dbraw/zinc/90/91/47/653909147.db2.gz VVKZGUGLNOIXSI-TZMCWYRMSA-N 1 0 384.274 1.001 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000653265296 653909442 /nfs/dbraw/zinc/90/94/42/653909442.db2.gz MUDZRESBUQTNJU-KFWWJZLASA-N 1 0 398.301 1.498 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654447442 653936860 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GDADRO Cc1ccc(O[C@H](C)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(Br)c1 ZINC000655299922 653964186 /nfs/dbraw/zinc/96/41/86/653964186.db2.gz UBZINPHQAJASOP-HZSPNIEDSA-N 1 0 383.286 1.802 20 0 GDADRO [NH3+]C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C(F)(F)F ZINC000655506731 653972126 /nfs/dbraw/zinc/97/21/26/653972126.db2.gz WXJXXRXKPDAIEH-SNVBAGLBSA-N 1 0 385.433 1.081 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(F)(F)F ZINC000655507425 653972389 /nfs/dbraw/zinc/97/23/89/653972389.db2.gz SGVXUIWXITXUHO-CYBMUJFWSA-N 1 0 379.404 1.093 20 0 GDADRO [NH3+]C[C@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C(F)(F)F ZINC000655508401 653972407 /nfs/dbraw/zinc/97/24/07/653972407.db2.gz DJEFIFZWMGFSJK-JTQLQIEISA-N 1 0 393.163 1.165 20 0 GDADRO [NH3+]C[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C(F)(F)F ZINC000655514829 653973183 /nfs/dbraw/zinc/97/31/83/653973183.db2.gz DGDYDQKXSFTYIK-LLVKDONJSA-N 1 0 383.164 1.769 20 0 GDADRO O=S(=O)(Cc1cccc(Br)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648446 653984832 /nfs/dbraw/zinc/98/48/32/653984832.db2.gz RDJMJGXUHRBJOX-UONOGXRCSA-N 1 0 375.288 1.030 20 0 GDADRO CO[C@](C)(CO)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000655802108 653991141 /nfs/dbraw/zinc/99/11/41/653991141.db2.gz WPCIHQODWJFEHE-ZANVPECISA-N 1 0 381.292 1.145 20 0 GDADRO CN1CCN([C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655910603 653993202 /nfs/dbraw/zinc/99/32/02/653993202.db2.gz ZYSJUQGRYASWEL-YPMHNXCESA-N 1 0 379.452 1.225 20 0 GDADRO [NH3+]C[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(F)(F)F ZINC000655922933 653994132 /nfs/dbraw/zinc/99/41/32/653994132.db2.gz UEFCTRFNVAJAPH-CPCISQLKSA-N 1 0 382.745 1.773 20 0 GDADRO CN1C(=O)C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000655923900 653994177 /nfs/dbraw/zinc/99/41/77/653994177.db2.gz YHPIOEHAHUGKCR-GMXVVIOVSA-N 1 0 378.782 1.801 20 0 GDADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656063867 654001141 /nfs/dbraw/zinc/00/11/41/654001141.db2.gz HREHAHZEMMVYGQ-NWDGAFQWSA-N 1 0 386.279 1.229 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Br)cn1 ZINC000656326823 654014875 /nfs/dbraw/zinc/01/48/75/654014875.db2.gz NGTQXBMEZHFNPG-WZRBSPASSA-N 1 0 383.290 1.478 20 0 GDADRO COC1CCN(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000656890274 654065444 /nfs/dbraw/zinc/06/54/44/654065444.db2.gz UJPGWDJIUVXAFO-HNNXBMFYSA-N 1 0 387.571 1.905 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)cc2C1 ZINC000656905056 654069311 /nfs/dbraw/zinc/06/93/11/654069311.db2.gz NSSVVGCEDJHVID-CQSZACIVSA-N 1 0 385.555 1.615 20 0 GDADRO CO[C@@H](CS(=O)(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000656919974 654072586 /nfs/dbraw/zinc/07/25/86/654072586.db2.gz VVWBJNDUKQTURG-MSOLQXFVSA-N 1 0 375.579 1.383 20 0 GDADRO CO[C@@H](CS(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000656966491 654079971 /nfs/dbraw/zinc/07/99/71/654079971.db2.gz SDUOCIDFWOBMKS-SJORKVTESA-N 1 0 376.563 1.954 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657663700 654154939 /nfs/dbraw/zinc/15/49/39/654154939.db2.gz FEFMPCGULQSPOC-JTQLQIEISA-N 1 0 388.237 1.364 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657673441 654155272 /nfs/dbraw/zinc/15/52/72/654155272.db2.gz RCWPNTSULOEIII-UHFFFAOYSA-N 1 0 388.237 1.100 20 0 GDADRO O=C(Nc1cccc(Br)c1F)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000657680422 654155858 /nfs/dbraw/zinc/15/58/58/654155858.db2.gz IUSCDHHTYZJZKE-LLVKDONJSA-N 1 0 382.233 1.999 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657750868 654161226 /nfs/dbraw/zinc/16/12/26/654161226.db2.gz DPDXEYJYQURTOC-CQSZACIVSA-N 1 0 394.216 1.095 20 0 GDADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000657778313 654163448 /nfs/dbraw/zinc/16/34/48/654163448.db2.gz NHKSHNPHMPCUFQ-HNNXBMFYSA-N 1 0 380.286 1.957 20 0 GDADRO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000658075714 654180609 /nfs/dbraw/zinc/18/06/09/654180609.db2.gz AGIURMKXWXOBBC-AWEZNQCLSA-N 1 0 388.555 1.802 20 0 GDADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1ncccc1Br ZINC000658362554 654185760 /nfs/dbraw/zinc/18/57/60/654185760.db2.gz DQRXWYUVWYYGQG-UHFFFAOYSA-N 1 0 385.287 1.697 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1Br ZINC000658404503 654190217 /nfs/dbraw/zinc/19/02/17/654190217.db2.gz TYIBGFGHIBJWQS-UHFFFAOYSA-N 1 0 391.287 1.497 20 0 GDADRO O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658900934 654211005 /nfs/dbraw/zinc/21/10/05/654211005.db2.gz FVLKHHUSGFFZMD-ZDUSSCGKSA-N 1 0 386.279 1.990 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000659112828 654215229 /nfs/dbraw/zinc/21/52/29/654215229.db2.gz RVRGQGNRXYUJNQ-SSDOTTSWSA-N 1 0 378.654 1.774 20 0 GDADRO CN(C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)[C@@H]1CC[NH2+]C1 ZINC000659297407 654220879 /nfs/dbraw/zinc/22/08/79/654220879.db2.gz HFTCGHYAZFBRLI-CQSZACIVSA-N 1 0 393.285 1.340 20 0 GDADRO [NH3+]C[C@@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)C1CCCC1 ZINC000659322728 654222497 /nfs/dbraw/zinc/22/24/97/654222497.db2.gz QSHZDCOUNHULEN-CYBMUJFWSA-N 1 0 379.262 1.672 20 0 GDADRO COC[C@@]1(C(=O)N2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000659357196 654223697 /nfs/dbraw/zinc/22/36/97/654223697.db2.gz DENAQXMVYRZXFV-QGZVFWFLSA-N 1 0 382.302 1.724 20 0 GDADRO Cc1ccc(C[C@H](CO)CNC(=O)NCC23CC(C2)C[NH2+]3)cc1Br ZINC000659613978 654229800 /nfs/dbraw/zinc/22/98/00/654229800.db2.gz PSGLNNXAWAXPSA-SYJJWHGVSA-N 1 0 396.329 1.960 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)s1 ZINC000660155302 654241817 /nfs/dbraw/zinc/24/18/17/654241817.db2.gz BATJCGYRXNOPLC-CQSZACIVSA-N 1 0 389.543 1.116 20 0 GDADRO Cc1nn(C)c(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1C(F)F ZINC000660158514 654242347 /nfs/dbraw/zinc/24/23/47/654242347.db2.gz VHAULHJZSIJNHV-LBPRGKRZSA-N 1 0 380.461 1.397 20 0 GDADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660409770 654249298 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O=C(C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000661715295 654282150 /nfs/dbraw/zinc/28/21/50/654282150.db2.gz MMIVWPSCHIJBKF-YVEFUNNKSA-N 1 0 385.295 1.494 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1c(Cl)cccc1Br ZINC000662341625 654293674 /nfs/dbraw/zinc/29/36/74/654293674.db2.gz QGYACNWZHVHFPY-UHFFFAOYSA-N 1 0 388.693 1.535 20 0 GDADRO CCCNS(=O)(=O)c1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662482485 654296613 /nfs/dbraw/zinc/29/66/13/654296613.db2.gz CABWOUDRHSWIAX-AWEZNQCLSA-N 1 0 379.404 1.855 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662592181 654297475 /nfs/dbraw/zinc/29/74/75/654297475.db2.gz YFUWCWMZLOMUDX-HIFRSBDPSA-N 1 0 398.301 1.278 20 0 GDADRO [NH3+][C@H]1C[C@H](C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 ZINC000662600346 654297481 /nfs/dbraw/zinc/29/74/81/654297481.db2.gz SLMQKRJHHHVHRA-MQMHXKEQSA-N 1 0 396.285 1.236 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662592180 654297584 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CCS(=O)(=O)c1ccc(CNC(=O)NCC[NH+]2CCC(OC)CC2)s1 ZINC000684289213 654795878 /nfs/dbraw/zinc/79/58/78/654795878.db2.gz PLOOJSQZJMQBIA-UHFFFAOYSA-N 1 0 389.543 1.452 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000748271956 654802244 /nfs/dbraw/zinc/80/22/44/654802244.db2.gz IUICWOVEVLWWGX-GFCCVEGCSA-N 1 0 395.305 1.817 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)CCSC1 ZINC000748433335 654805794 /nfs/dbraw/zinc/80/57/94/654805794.db2.gz GEAWVDQNAQSQMI-DLBZAZTESA-N 1 0 375.510 1.889 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)C1 ZINC000748700865 654810598 /nfs/dbraw/zinc/81/05/98/654810598.db2.gz RTSDVHNBDITCDT-CYBMUJFWSA-N 1 0 385.917 1.806 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000748710477 654811302 /nfs/dbraw/zinc/81/13/02/654811302.db2.gz AGIGJSJIYXFELS-INIZCTEOSA-N 1 0 385.917 1.757 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@]1(CC)CCOC1 ZINC000685038744 654811714 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CO[C@@]1(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CCS(=O)(=O)C1 ZINC000721149982 654838322 /nfs/dbraw/zinc/83/83/22/654838322.db2.gz VFFLMBWSIXYSCD-MQBCKMQZSA-N 1 0 376.519 1.616 20 0 GDADRO CCC[C@@H](C[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)OC ZINC000721742933 654839119 /nfs/dbraw/zinc/83/91/19/654839119.db2.gz ATWBDJFWMXTYMS-GJZGRUSLSA-N 1 0 378.535 1.815 20 0 GDADRO CN(C(=S)NCCC[NH+](C)C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000749734682 654839311 /nfs/dbraw/zinc/83/93/11/654839311.db2.gz DPZOGYQRVWJKCQ-ZDUSSCGKSA-N 1 0 375.947 1.926 20 0 GDADRO CSC1CC([NH2+]CC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC000721751569 654839616 /nfs/dbraw/zinc/83/96/16/654839616.db2.gz HHAAQUXLOUINPA-RUXDESIVSA-N 1 0 378.560 1.894 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCCC2)C1 ZINC000721904605 654840169 /nfs/dbraw/zinc/84/01/69/654840169.db2.gz PUYAGKTYLWBUND-HUUCEWRRSA-N 1 0 375.535 1.838 20 0 GDADRO [NH3+]CC[C@@H]1CCN(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000723701559 654840413 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C[C@H](C(=O)NCC[N@H+](C)CCO)c1ccc(I)cc1 ZINC000829750313 654912696 /nfs/dbraw/zinc/91/26/96/654912696.db2.gz QWQNSESPVXXIAI-NSHDSACASA-N 1 0 376.238 1.435 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729498157 654911192 /nfs/dbraw/zinc/91/11/92/654911192.db2.gz WLRMWNFYQLBASG-HOCLYGCPSA-N 1 0 398.301 1.990 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000752045809 654919068 /nfs/dbraw/zinc/91/90/68/654919068.db2.gz YGFOJONPFDVPOG-ZDUSSCGKSA-N 1 0 399.282 1.188 20 0 GDADRO CCN1C(=O)[C@@H]2C[N@H+](C[C@@H](O)c3ccc(Br)cc3)CCN2C1=O ZINC000752094285 654919964 /nfs/dbraw/zinc/91/99/64/654919964.db2.gz LHRIMYXIQKWQKJ-UONOGXRCSA-N 1 0 382.258 1.451 20 0 GDADRO C[NH+](C)CCCNC(=S)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000730156097 654926550 /nfs/dbraw/zinc/92/65/50/654926550.db2.gz OGLYIRWDJWEFEK-UHFFFAOYSA-N 1 0 381.527 1.514 20 0 GDADRO COCCCn1nccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000801722322 654932316 /nfs/dbraw/zinc/93/23/16/654932316.db2.gz GMIHQMVHFQDFFI-UHFFFAOYSA-N 1 0 380.461 1.274 20 0 GDADRO CSCCNC(=S)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000752753002 654935157 /nfs/dbraw/zinc/93/51/57/654935157.db2.gz BISKPCWAPIUSBX-INIZCTEOSA-N 1 0 380.583 1.711 20 0 GDADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000786333482 654937574 /nfs/dbraw/zinc/93/75/74/654937574.db2.gz ZSNISLNWRDWXPB-OAGGEKHMSA-N 1 0 385.599 1.719 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)ccc1Cl ZINC000753026979 654940795 /nfs/dbraw/zinc/94/07/95/654940795.db2.gz DHUKLTZDSWAMEV-LBPRGKRZSA-N 1 0 391.921 1.980 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786814160 654950281 /nfs/dbraw/zinc/95/02/81/654950281.db2.gz CQWMKDZOJRVBRO-KBPBESRZSA-N 1 0 396.285 1.045 20 0 GDADRO Cc1ccc(Br)nc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000786865776 654951890 /nfs/dbraw/zinc/95/18/90/654951890.db2.gz KEBKBBSSBYNULN-LBPRGKRZSA-N 1 0 383.290 1.470 20 0 GDADRO 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C[C@H](NCCC[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764518403 655217797 /nfs/dbraw/zinc/21/77/97/655217797.db2.gz BMQRNFJXAOIZHI-ZDUSSCGKSA-N 1 0 377.532 1.015 20 0 GDADRO CNS(=O)(=O)NC1CC[NH+](C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000812841449 655221792 /nfs/dbraw/zinc/22/17/92/655221792.db2.gz YYQYSYSBOWSNKE-CQSZACIVSA-N 1 0 381.420 1.257 20 0 GDADRO CCN(CCC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)S(C)(=O)=O ZINC000838908491 655231745 /nfs/dbraw/zinc/23/17/45/655231745.db2.gz FHRPDDHVFYZENT-UHFFFAOYSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCN1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765327506 655238040 /nfs/dbraw/zinc/23/80/40/655238040.db2.gz ANLLHBMESGRLGU-XJKSGUPXSA-N 1 0 389.543 1.157 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N2Cc3ccc(Br)cc3C2)CC1=O ZINC000765742246 655248321 /nfs/dbraw/zinc/24/83/21/655248321.db2.gz FDCBAPNQJPOIRY-CQSZACIVSA-N 1 0 380.286 1.701 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000839520569 655251136 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378.516 1.488 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=S)NCCNS(C)(=O)=O ZINC000766702191 655274065 /nfs/dbraw/zinc/27/40/65/655274065.db2.gz CGEHAAGXORBLEB-HUUCEWRRSA-N 1 0 384.571 1.005 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000766842865 655277996 /nfs/dbraw/zinc/27/79/96/655277996.db2.gz ZYDNSUFCJBNCOX-INIZCTEOSA-N 1 0 375.535 1.028 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000799267378 655287426 /nfs/dbraw/zinc/28/74/26/655287426.db2.gz JMJQLWYTTHTDRV-UHFFFAOYSA-N 1 0 399.289 1.736 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)c2cnn(C)c2I)CC1 ZINC000815167620 655289210 /nfs/dbraw/zinc/28/92/10/655289210.db2.gz AXENTSIVIUMUEO-UHFFFAOYSA-N 1 0 390.269 1.877 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)C[C@@H]1[NH+](C)C ZINC000767314001 655289376 /nfs/dbraw/zinc/28/93/76/655289376.db2.gz CLXCYPQAONOVKN-IUCAKERBSA-N 1 0 380.948 1.715 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCC[N@@H+]2CCNS(C)(=O)=O)C1 ZINC000815198343 655289965 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OEJNNVZZSCLHQU-UHFFFAOYSA-N 1 0 379.258 1.971 20 0 GDADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1SCCCS1 ZINC000841159995 655311127 /nfs/dbraw/zinc/31/11/27/655311127.db2.gz PFARKFFFEVYQMN-HNNXBMFYSA-N 1 0 381.567 1.588 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000841177340 655312196 /nfs/dbraw/zinc/31/21/96/655312196.db2.gz IMSKJSYRPDKTHN-MRVPVSSYSA-N 1 0 377.670 1.926 20 0 GDADRO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000768119716 655314281 /nfs/dbraw/zinc/31/42/81/655314281.db2.gz FKJOTVKUYHTRCA-IHRRRGAJSA-N 1 0 375.535 1.420 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000841211711 655314372 /nfs/dbraw/zinc/31/43/72/655314372.db2.gz HFXAOFRGFHRQMQ-QJPTWQEYSA-N 1 0 381.274 1.677 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CCC[NH2+]C1 ZINC000841211956 655314381 /nfs/dbraw/zinc/31/43/81/655314381.db2.gz LCACYOSDLVEGGC-CQSZACIVSA-N 1 0 389.681 1.942 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000841212001 655314426 /nfs/dbraw/zinc/31/44/26/655314426.db2.gz KJWANYJCWZFSNF-QJPTWQEYSA-N 1 0 381.274 1.677 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841210050 655314436 /nfs/dbraw/zinc/31/44/36/655314436.db2.gz PEDQEPFSVSDWGG-UWVGGRQHSA-N 1 0 398.257 1.355 20 0 GDADRO COc1ccc(C(=O)NCC2([NH+](C)C)CC2)nc1I ZINC000841454754 655325629 /nfs/dbraw/zinc/32/56/29/655325629.db2.gz HEIVWGNHQPDENB-UHFFFAOYSA-N 1 0 375.210 1.519 20 0 GDADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816557797 655328984 /nfs/dbraw/zinc/32/89/84/655328984.db2.gz BMFIXBHVEITDIS-JSGCOSHPSA-N 1 0 375.535 1.973 20 0 GDADRO C[S@@](=O)CCC[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816552450 655329014 /nfs/dbraw/zinc/32/90/14/655329014.db2.gz MXYOBSRNDWDYPU-HWRSSNJWSA-N 1 0 375.535 1.108 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)s1 ZINC000817147962 655345916 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STDJRBLEAFQTGH-ZIAGYGMSSA-N 1 0 390.527 1.048 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000818563951 655376457 /nfs/dbraw/zinc/37/64/57/655376457.db2.gz SYOQOXKASJTQFN-CYBMUJFWSA-N 1 0 387.889 1.488 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000842781705 655376538 /nfs/dbraw/zinc/37/65/38/655376538.db2.gz KFNKILUUWWTDBI-UHFFFAOYSA-N 1 0 387.889 1.676 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000818579684 655376677 /nfs/dbraw/zinc/37/66/77/655376677.db2.gz NXIWGLKQUUNOJO-WFASDCNBSA-N 1 0 385.917 1.852 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842790324 655377117 /nfs/dbraw/zinc/37/71/17/655377117.db2.gz GANFAKWEDHKFIM-UWVGGRQHSA-N 1 0 386.417 1.338 20 0 GDADRO O=C1Cc2cc(Br)ccc2S(=O)(=O)N1CCC1CC[NH2+]CC1 ZINC000818619054 655377550 /nfs/dbraw/zinc/37/75/50/655377550.db2.gz VSCAZDYWPQWVLS-UHFFFAOYSA-N 1 0 387.299 1.912 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c1 ZINC000842796317 655377783 /nfs/dbraw/zinc/37/77/83/655377783.db2.gz DPPGCMRBOSQJAX-UHFFFAOYSA-N 1 0 388.287 1.096 20 0 GDADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C2 ZINC000842796684 655377802 /nfs/dbraw/zinc/37/78/02/655377802.db2.gz CXPOBXDSHSYDLV-UHFFFAOYSA-N 1 0 377.388 1.736 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000842797925 655377893 /nfs/dbraw/zinc/37/78/93/655377893.db2.gz ULYCFRIYHBZTEV-UHFFFAOYSA-N 1 0 387.889 1.855 20 0 GDADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000842813219 655378776 /nfs/dbraw/zinc/37/87/76/655378776.db2.gz OFTNLXATRDGEFE-MRVPVSSYSA-N 1 0 397.266 1.651 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)s1 ZINC000842830831 655380200 /nfs/dbraw/zinc/38/02/00/655380200.db2.gz ORBMGDSZURQNGZ-APPZFPTMSA-N 1 0 397.316 1.574 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])ccc1Cl ZINC000842860361 655381387 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382.404 1.632 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000819189116 655387946 /nfs/dbraw/zinc/38/79/46/655387946.db2.gz DQDMZMMKPLXHJK-ZIAGYGMSSA-N 1 0 377.304 1.496 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@@H](O)c1ccc(F)cc1 ZINC000843074865 655387992 /nfs/dbraw/zinc/38/79/92/655387992.db2.gz PDCSCJNMRRAPGR-BLLLJJGKSA-N 1 0 375.462 1.594 20 0 GDADRO C[C@@](O)(C[NH2+][C@@H](CO)CN1CCCC1)c1ccc(Br)cc1F ZINC000843115353 655388761 /nfs/dbraw/zinc/38/87/61/655388761.db2.gz HTLJNZIZGFSQKU-CZUORRHYSA-N 1 0 375.282 1.842 20 0 GDADRO Cn1cc(C[C@H](CO)[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)cn1 ZINC000843117121 655388968 /nfs/dbraw/zinc/38/89/68/655388968.db2.gz USBGMSAFKRWUED-CJNGLKHVSA-N 1 0 386.265 1.722 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]CCS(C)(=O)=O ZINC000843117990 655388980 /nfs/dbraw/zinc/38/89/80/655388980.db2.gz XYEOYAZTOQLHIE-LLVKDONJSA-N 1 0 380.304 1.243 20 0 GDADRO C[C@](O)(C[NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(Br)cc1F ZINC000819276427 655389176 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Cc1cc(Br)ccc1NC(=O)CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843412000 655394514 /nfs/dbraw/zinc/39/45/14/655394514.db2.gz FLOMBZLXBLBVHD-CQSZACIVSA-N 1 0 398.301 1.971 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccccc1I ZINC000843429461 655394730 /nfs/dbraw/zinc/39/47/30/655394730.db2.gz WJMKWWFKEJFXLK-GFCCVEGCSA-N 1 0 387.265 1.843 20 0 GDADRO [NH3+][C@@H](C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000843445661 655395048 /nfs/dbraw/zinc/39/50/48/655395048.db2.gz ARIHUOQKWVQPFO-GFCCVEGCSA-N 1 0 399.822 1.770 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000843453882 655395204 /nfs/dbraw/zinc/39/52/04/655395204.db2.gz KATFQGBSPCYSIT-ZDUSSCGKSA-N 1 0 389.905 1.736 20 0 GDADRO CN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000843494262 655396848 /nfs/dbraw/zinc/39/68/48/655396848.db2.gz AAWLBVFKPFSTMF-DZGCQCFKSA-N 1 0 384.274 1.203 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000843499907 655397007 /nfs/dbraw/zinc/39/70/07/655397007.db2.gz PARTZQGYAHUYNF-ZDUSSCGKSA-N 1 0 395.257 1.884 20 0 GDADRO COCC(C)(C)[NH+]1CCN(Cn2cc(I)cn2)CC1 ZINC000819895159 655398364 /nfs/dbraw/zinc/39/83/64/655398364.db2.gz KFXZCVODUXEIKO-UHFFFAOYSA-N 1 0 378.258 1.488 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)cnc1Cl ZINC000844035379 655405546 /nfs/dbraw/zinc/40/55/46/655405546.db2.gz OFYVYKZCKAZJSV-VIFPVBQESA-N 1 0 389.681 1.690 20 0 GDADRO O=S(=O)(/C=C/c1ccccc1Br)NCCCN1CC[NH2+]CC1 ZINC000844226420 655408717 /nfs/dbraw/zinc/40/87/17/655408717.db2.gz GYMYTIFOSYBCCP-AWNIVKPZSA-N 1 0 388.331 1.635 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844397690 655410026 /nfs/dbraw/zinc/41/00/26/655410026.db2.gz ODCMCHCHTUCGEM-LSDHHAIUSA-N 1 0 377.551 1.941 20 0 GDADRO NC(=O)C[C@@H]1CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844707385 655413724 /nfs/dbraw/zinc/41/37/24/655413724.db2.gz IKJKFXCBZMYCCA-LBPRGKRZSA-N 1 0 378.270 1.830 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000820708707 655414057 /nfs/dbraw/zinc/41/40/57/655414057.db2.gz UKYAXYSAKRFNAM-CQSZACIVSA-N 1 0 393.285 1.630 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc2c(Br)cnn2c1 ZINC000820989797 655420209 /nfs/dbraw/zinc/42/02/09/655420209.db2.gz AYKLTIXTMNKQCR-CYBMUJFWSA-N 1 0 381.274 1.673 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Br)cn2ncnc12 ZINC000820990098 655420362 /nfs/dbraw/zinc/42/03/62/655420362.db2.gz INOSTXAMUVAGPP-LBPRGKRZSA-N 1 0 382.262 1.068 20 0 GDADRO O=C(NCCC[C@H]1CC1(Cl)Cl)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000844991545 655421948 /nfs/dbraw/zinc/42/19/48/655421948.db2.gz PHSCLZIMNUEFMC-GJZGRUSLSA-N 1 0 393.359 1.666 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000821258998 655425333 /nfs/dbraw/zinc/42/53/33/655425333.db2.gz GSCICQNVLVTYJF-AEGPPILISA-N 1 0 391.331 1.790 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000821402958 655429182 /nfs/dbraw/zinc/42/91/82/655429182.db2.gz DUFUBCMNFNFMIT-UHFFFAOYSA-N 1 0 385.452 1.623 20 0 GDADRO [NH3+]C1(CO)CCN(c2ncnc3cc(I)sc32)CC1 ZINC000845491991 655431112 /nfs/dbraw/zinc/43/11/12/655431112.db2.gz DCJCRJSHJIMXHO-UHFFFAOYSA-N 1 0 390.250 1.586 20 0 GDADRO Cn1ncc(I)c1C(=O)OC[C@@]12CC[N@H+](C1)CCC2 ZINC000845799549 655436039 /nfs/dbraw/zinc/43/60/39/655436039.db2.gz RPVDJPMCVZUKCZ-ZDUSSCGKSA-N 1 0 375.210 1.667 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846019848 655444793 /nfs/dbraw/zinc/44/47/93/655444793.db2.gz TUERVECGHFQCOV-OAHLLOKOSA-N 1 0 376.473 1.871 20 0 GDADRO C[C@@H]1CC[C@@H]([NH2+]CCCN2CCCS2(=O)=O)CN1C(=O)OC(C)(C)C ZINC000822455692 655445667 /nfs/dbraw/zinc/44/56/67/655445667.db2.gz IOXLGZCOYFUBDJ-HUUCEWRRSA-N 1 0 375.535 1.790 20 0 GDADRO CC(C)(C)OC(=O)NCC1CCC([NH2+][C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000846036141 655445897 /nfs/dbraw/zinc/44/58/97/655445897.db2.gz XXRZDMIEUXHFEG-NRXISQOPSA-N 1 0 375.535 1.693 20 0 GDADRO Brc1cc(Cc2noc([C@H]3C[NH2+]CCO3)n2)cc2c1OCCO2 ZINC000822947319 655454287 /nfs/dbraw/zinc/45/42/87/655454287.db2.gz QTFJWQBXNPRWRO-GFCCVEGCSA-N 1 0 382.214 1.855 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@H](N)CC[NH+](C)C ZINC000846669958 655458633 /nfs/dbraw/zinc/45/86/33/655458633.db2.gz KWESEXGJDYEDBC-SNVBAGLBSA-N 1 0 383.392 1.206 20 0 GDADRO CCN(CCC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)S(C)(=O)=O ZINC000823683971 655466718 /nfs/dbraw/zinc/46/67/18/655466718.db2.gz NVELREHIAFNZNY-RHSMWYFYSA-N 1 0 375.535 1.505 20 0 GDADRO C[C@]1(C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1(Br)Br ZINC000823727441 655467167 /nfs/dbraw/zinc/46/71/67/655467167.db2.gz BHBXAXQULAXMFP-CMPLNLGQSA-N 1 0 398.139 1.846 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1csc(I)n1 ZINC000823728029 655467277 /nfs/dbraw/zinc/46/72/77/655467277.db2.gz RBHJVTLAVDCHPU-VIFPVBQESA-N 1 0 395.266 1.324 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CN1CCOC1=O ZINC000823800542 655468284 /nfs/dbraw/zinc/46/82/84/655468284.db2.gz FDUZKNSZKIXYQH-UHFFFAOYSA-N 1 0 399.289 1.838 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[S@@](C)=O ZINC000823914229 655469400 /nfs/dbraw/zinc/46/94/00/655469400.db2.gz BHOLSWUVAIOIRE-LADRHHBVSA-N 1 0 377.304 1.431 20 0 GDADRO Cc1c(Cl)c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)sc1S(N)(=O)=O ZINC000824083911 655471342 /nfs/dbraw/zinc/47/13/42/655471342.db2.gz CVALAWFITRVWMF-DTWKUNHWSA-N 1 0 379.935 1.816 20 0 GDADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1(C)C ZINC000824086807 655471488 /nfs/dbraw/zinc/47/14/88/655471488.db2.gz PFOPTKXFOUMTDT-NWDGAFQWSA-N 1 0 377.869 1.585 20 0 GDADRO C[C@@H]1C[C@@H](C[NH+]2CCC(S(N)(=O)=O)CC2)CCN1C(=O)OC(C)(C)C ZINC000824241801 655472961 /nfs/dbraw/zinc/47/29/61/655472961.db2.gz BDVXSAAOXLVOFE-KGLIPLIRSA-N 1 0 375.535 1.775 20 0 GDADRO NC(=O)COc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000824543633 655477105 /nfs/dbraw/zinc/47/71/05/655477105.db2.gz MVYVJKYOSYHUKT-UHFFFAOYSA-N 1 0 380.242 1.265 20 0 GDADRO C[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824608993 655477946 /nfs/dbraw/zinc/47/79/46/655477946.db2.gz UBZFXVASNOJZME-KEYYUXOJSA-N 1 0 376.519 1.304 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000824678710 655478923 /nfs/dbraw/zinc/47/89/23/655478923.db2.gz UVBCEURAPVSXAG-HNNXBMFYSA-N 1 0 377.551 1.941 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(c2ccc(Br)cc2-c2nn[nH]n2)C[C@@H]1C ZINC000824708669 655479357 /nfs/dbraw/zinc/47/93/57/655479357.db2.gz ZJZKBZIDORXXPC-QWRGUYRKSA-N 1 0 381.278 1.521 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000848023143 655480359 /nfs/dbraw/zinc/48/03/59/655480359.db2.gz FVGXIIBARWGTTP-SNVBAGLBSA-N 1 0 384.470 1.567 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2csc(I)n2)cn1 ZINC000825085065 655483997 /nfs/dbraw/zinc/48/39/97/655483997.db2.gz TZQJHIBPJGVPPX-UHFFFAOYSA-N 1 0 391.238 1.758 20 0 GDADRO O=C(c1nc(Cl)sc1Cl)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000848208841 655484618 /nfs/dbraw/zinc/48/46/18/655484618.db2.gz GGCALHPSZLWRSY-SECBINFHSA-N 1 0 377.297 1.876 20 0 GDADRO O=C(/C=C/c1ccc(I)o1)NC[C@H]1C[NH2+]CCCO1 ZINC000825183417 655485270 /nfs/dbraw/zinc/48/52/70/655485270.db2.gz NEHIHZDBVVAISY-JOAKQRRISA-N 1 0 376.194 1.392 20 0 GDADRO CC(C)NS(=O)(=O)c1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)ccc1F ZINC000825207263 655485808 /nfs/dbraw/zinc/48/58/08/655485808.db2.gz HUOMRBGZCQSRLQ-LBPRGKRZSA-N 1 0 385.383 1.522 20 0 GDADRO Cc1c(Br)cc(F)cc1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000825223209 655486175 /nfs/dbraw/zinc/48/61/75/655486175.db2.gz BOOJPXYJWUCYTK-UHFFFAOYSA-N 1 0 388.281 1.989 20 0 GDADRO O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000825240353 655486577 /nfs/dbraw/zinc/48/65/77/655486577.db2.gz JZCHVZXOWBAPKZ-WBMJQRKESA-N 1 0 383.901 1.558 20 0 GDADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000825263425 655486830 /nfs/dbraw/zinc/48/68/30/655486830.db2.gz QULUKMVYSZHXNT-GFCCVEGCSA-N 1 0 375.288 1.723 20 0 GDADRO Cc1c(Br)cc(F)cc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000827091613 655505625 /nfs/dbraw/zinc/50/56/25/655505625.db2.gz CQXROITVXJRUBF-AWEZNQCLSA-N 1 0 386.265 1.966 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@]1(C)CC1(Br)Br ZINC000827236754 655508170 /nfs/dbraw/zinc/50/81/70/655508170.db2.gz FOWJACAVDSQKNJ-ONGXEEELSA-N 1 0 383.128 1.245 20 0 GDADRO CS[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000827425185 655510936 /nfs/dbraw/zinc/51/09/36/655510936.db2.gz GYUQIEMGLSQHGK-AVGNSLFASA-N 1 0 375.560 1.800 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)Cc3cccnc3Br)CC2)CC1 ZINC000827439559 655511256 /nfs/dbraw/zinc/51/12/56/655511256.db2.gz FPIFATRCDQNWMB-UHFFFAOYSA-N 1 0 381.318 1.625 20 0 GDADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Br)cn4ncnc34)C[C@@]2(C)C1 ZINC000827598302 655513626 /nfs/dbraw/zinc/51/36/26/655513626.db2.gz OXHWIXJWLBHLMK-HZPDHXFCSA-N 1 0 378.274 1.906 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(Cl)nc1Cl)CCO2 ZINC000828252437 655520085 /nfs/dbraw/zinc/52/00/85/655520085.db2.gz VLSQWFYHAQQETM-UHFFFAOYSA-N 1 0 380.297 1.874 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OCCS(C)(=O)=O)cc1 ZINC000849272702 655521274 /nfs/dbraw/zinc/52/12/74/655521274.db2.gz PESQJOWYIZEVEE-HNNXBMFYSA-N 1 0 385.555 1.881 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000849422495 655532436 /nfs/dbraw/zinc/53/24/36/655532436.db2.gz ANGGBXRBLQVYOI-NSHDSACASA-N 1 0 383.345 1.939 20 0 GDADRO Cn1cnc(S(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1Cl ZINC000849428107 655533590 /nfs/dbraw/zinc/53/35/90/655533590.db2.gz SRSUGNICULWLSS-AWEZNQCLSA-N 1 0 384.889 1.119 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nn2cc(Br)cn2)[C@H](c2cnn(C)c2)C1 ZINC000849568242 655542302 /nfs/dbraw/zinc/54/23/02/655542302.db2.gz NDZAZFNEPDBISI-CABCVRRESA-N 1 0 395.305 1.963 20 0 GDADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1S(=O)(=O)C(F)F ZINC000850592264 655559594 /nfs/dbraw/zinc/55/95/94/655559594.db2.gz OFZXKSDEFONTHU-NSHDSACASA-N 1 0 394.465 1.636 20 0 GDADRO O=C(NCCC1SCCS1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000850667599 655563450 /nfs/dbraw/zinc/56/34/50/655563450.db2.gz VNNBKTXKFWQPLN-HIFRSBDPSA-N 1 0 383.583 1.774 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2cccnc2Br)CC1 ZINC000850730215 655566786 /nfs/dbraw/zinc/56/67/86/655566786.db2.gz RBJRTLZERASTQC-UHFFFAOYSA-N 1 0 398.305 1.956 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850857779 655570217 /nfs/dbraw/zinc/57/02/17/655570217.db2.gz GLSRUCMAZBGFDC-SECBINFHSA-N 1 0 384.893 1.625 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000851687840 655590516 /nfs/dbraw/zinc/59/05/16/655590516.db2.gz JGXFSAJKCOVMMP-CQSZACIVSA-N 1 0 388.281 1.737 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000851749270 655593095 /nfs/dbraw/zinc/59/30/95/655593095.db2.gz WXJPEUZSMLOJLF-HUUCEWRRSA-N 1 0 378.406 1.284 20 0 GDADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000851851931 655599782 /nfs/dbraw/zinc/59/97/82/655599782.db2.gz HSLZNYKOMIXNSO-NSHDSACASA-N 1 0 380.297 1.608 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000851861214 655600570 /nfs/dbraw/zinc/60/05/70/655600570.db2.gz SMGKAIDCZFQWEQ-UHFFFAOYSA-N 1 0 391.331 1.624 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000852012906 655605814 /nfs/dbraw/zinc/60/58/14/655605814.db2.gz FZCSSOZYYYRJOS-OAHLLOKOSA-N 1 0 398.462 1.461 20 0 GDADRO CCCCCC[C@](O)(C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1)C(=O)OC ZINC000852038642 655606404 /nfs/dbraw/zinc/60/64/04/655606404.db2.gz QBZOONYOCVJSKS-WBVHZDCISA-N 1 0 378.535 1.217 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCCS(=O)(=O)CC(F)(F)F)C1CCCCC1 ZINC000852110432 655607829 /nfs/dbraw/zinc/60/78/29/655607829.db2.gz OJAOQNBPTINPHN-ZDUSSCGKSA-N 1 0 387.468 1.773 20 0 GDADRO O=C(C[NH2+]C1(CCO)CCCC1)Nc1ccccc1S(=O)(=O)C(F)F ZINC000852118127 655607954 /nfs/dbraw/zinc/60/79/54/655607954.db2.gz FNTDJNPJIBZDKP-UHFFFAOYSA-N 1 0 376.425 1.906 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCn2ncc(Br)c2C1 ZINC000852124754 655608065 /nfs/dbraw/zinc/60/80/65/655608065.db2.gz DIMPBJMFXICRRE-LBPRGKRZSA-N 1 0 386.294 1.282 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852190500 655609751 /nfs/dbraw/zinc/60/97/51/655609751.db2.gz DHHKVLRBTUHKPC-WBMJQRKESA-N 1 0 389.327 1.962 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000852208275 655610289 /nfs/dbraw/zinc/61/02/89/655610289.db2.gz SIVCGLADJORWAA-PWSUYJOCSA-N 1 0 376.312 1.571 20 0 GDADRO CC(C)OCC[NH+]1CCC(NC(=O)NCC[S@](=O)CC(F)(F)F)CC1 ZINC000852458226 655615052 /nfs/dbraw/zinc/61/50/52/655615052.db2.gz DAFUJJPGBMPJBC-VWLOTQADSA-N 1 0 387.468 1.486 20 0 GDADRO O=C(NCC[S@](=O)CC(F)(F)F)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000852462963 655615916 /nfs/dbraw/zinc/61/59/16/655615916.db2.gz SAKIKCAHGLOHFV-SHZVTRLKSA-N 1 0 385.452 1.240 20 0 GDADRO OC1(CC[NH+]2CCC(n3nncc3I)CC2)CCC1 ZINC000852532301 655617185 /nfs/dbraw/zinc/61/71/85/655617185.db2.gz HEESXAAFQBCSPP-UHFFFAOYSA-N 1 0 376.242 1.825 20 0 GDADRO Ic1cnnn1C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000852532826 655617524 /nfs/dbraw/zinc/61/75/24/655617524.db2.gz RADKGMKHHGZWTC-NSHDSACASA-N 1 0 376.242 1.946 20 0 GDADRO CN(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@@H](C[NH3+])C(F)(F)F ZINC000852762668 655622187 /nfs/dbraw/zinc/62/21/87/655622187.db2.gz STZBAQOETWNCIG-JTQLQIEISA-N 1 0 389.346 1.443 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)c1cnn(-c2ccccc2)c1I ZINC000852794082 655622673 /nfs/dbraw/zinc/62/26/73/655622673.db2.gz LDWUVTBCKPEDPC-LLVKDONJSA-N 1 0 396.232 1.911 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)Nc2cc(Br)ccc2N2CCOCC2)=NO1 ZINC000852856088 655624139 /nfs/dbraw/zinc/62/41/39/655624139.db2.gz UMXRODJGEQCQMY-LLVKDONJSA-N 1 0 383.246 1.328 20 0 GDADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(n2nncc2I)CC1 ZINC000852860258 655624252 /nfs/dbraw/zinc/62/42/52/655624252.db2.gz AHTCUPVSNZRYBJ-CABZTGNLSA-N 1 0 391.257 1.420 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NCc2cc(Br)ccc2Br)=NO1 ZINC000852884824 655625257 /nfs/dbraw/zinc/62/52/57/655625257.db2.gz KYUNVRSXWQNIAC-SECBINFHSA-N 1 0 391.063 1.931 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000852891019 655625415 /nfs/dbraw/zinc/62/54/15/655625415.db2.gz OMTGVXUDFCRWJS-OCCSQVGLSA-N 1 0 385.306 1.850 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)=NO1 ZINC000852893493 655625545 /nfs/dbraw/zinc/62/55/45/655625545.db2.gz HLGDLYJYPWOCOG-AWEZNQCLSA-N 1 0 381.274 1.197 20 0 GDADRO COC(=O)[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000852907048 655627427 /nfs/dbraw/zinc/62/74/27/655627427.db2.gz BXPYSUYMCAITBB-ABAIWWIYSA-N 1 0 385.258 1.548 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000852917818 655628300 /nfs/dbraw/zinc/62/83/00/655628300.db2.gz RGWFKNFOSNWLGM-NWDGAFQWSA-N 1 0 376.910 1.282 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(Cn2cc(I)cn2)CCO1 ZINC000853624285 655645675 /nfs/dbraw/zinc/64/56/75/655645675.db2.gz IJLRMWILKQVFMI-ZDUSSCGKSA-N 1 0 378.258 1.488 20 0 GDADRO CN1C(=S)N=NC1CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000853814464 655650634 /nfs/dbraw/zinc/65/06/34/655650634.db2.gz WHDXNZKKKPNXCH-ZDUSSCGKSA-N 1 0 382.921 1.902 20 0 GDADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)NC[C@H]1CSCCS1 ZINC000853844991 655651770 /nfs/dbraw/zinc/65/17/70/655651770.db2.gz VSBGHYFZRVNCJU-SJORKVTESA-N 1 0 381.567 1.901 20 0 GDADRO C[NH+](C)CCOCCNC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000854016805 655655872 /nfs/dbraw/zinc/65/58/72/655655872.db2.gz RWUGJKKWMDCNFE-UHFFFAOYSA-N 1 0 386.290 1.240 20 0 GDADRO CCC[NH+](CCC)CCCC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 ZINC000854590789 655670934 /nfs/dbraw/zinc/67/09/34/655670934.db2.gz CEVFQFANPNXTCY-UHFFFAOYSA-N 1 0 381.564 1.158 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2cc(Br)no2)CC1=O ZINC000854707838 655674585 /nfs/dbraw/zinc/67/45/85/655674585.db2.gz JRQKRTWRSZIYMX-NEPJUHHUSA-N 1 0 399.289 1.386 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000854737537 655675438 /nfs/dbraw/zinc/67/54/38/655675438.db2.gz QYXNKUNWKFIMBM-KRWDZBQOSA-N 1 0 385.917 1.806 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1csc(I)n1 ZINC000854744351 655675790 /nfs/dbraw/zinc/67/57/90/655675790.db2.gz WDMPMFDEBSDCFG-SECBINFHSA-N 1 0 395.266 1.324 20 0 GDADRO Cc1sc(Br)nc1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000855698307 655699900 /nfs/dbraw/zinc/69/99/00/655699900.db2.gz PNELEKOPXYBJDP-UHFFFAOYSA-N 1 0 377.308 1.306 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000855699017 655699981 /nfs/dbraw/zinc/69/99/81/655699981.db2.gz WALPZORVZRZELX-HNNXBMFYSA-N 1 0 398.301 1.231 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CCO1 ZINC000856428558 655713193 /nfs/dbraw/zinc/71/31/93/655713193.db2.gz XRKZGKVUUCDRHK-ZDUSSCGKSA-N 1 0 388.917 1.926 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC000856760787 655718029 /nfs/dbraw/zinc/71/80/29/655718029.db2.gz APDQILXUMZYFLT-HUUCEWRRSA-N 1 0 377.551 1.941 20 0 GDADRO O=C(c1c(Br)nc2n1CCOC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000857122899 655728291 /nfs/dbraw/zinc/72/82/91/655728291.db2.gz GICCSJOCOAARCI-GFCCVEGCSA-N 1 0 383.290 1.876 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C2 ZINC000857236083 655731675 /nfs/dbraw/zinc/73/16/75/655731675.db2.gz VRKWUSRMUTZLKX-YGRLFVJLSA-N 1 0 377.388 1.689 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)c1c(Br)nc3n1CCOC3)CCO2 ZINC000857294360 655733613 /nfs/dbraw/zinc/73/36/13/655733613.db2.gz FEXNBPGBGPYHPK-UHFFFAOYSA-N 1 0 399.289 1.113 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000858610796 655750077 /nfs/dbraw/zinc/75/00/77/655750077.db2.gz QBXZQMYRAUQGDQ-ZWNOBZJWSA-N 1 0 379.404 1.935 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858608473 655750093 /nfs/dbraw/zinc/75/00/93/655750093.db2.gz JTSRWVCYZDFDCM-ZWNOBZJWSA-N 1 0 379.404 1.983 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)s1 ZINC000858618222 655750732 /nfs/dbraw/zinc/75/07/32/655750732.db2.gz WFESYOXUEIVBDL-KGLIPLIRSA-N 1 0 385.511 1.311 20 0 GDADRO Cc1ccc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc1S(=O)(=O)N1CCCCC1 ZINC000858643186 655751888 /nfs/dbraw/zinc/75/18/88/655751888.db2.gz WXGNAEVRIHGUQN-CQSZACIVSA-N 1 0 389.543 1.137 20 0 GDADRO CC[NH+]1CCC(NS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC1 ZINC000858896906 655755022 /nfs/dbraw/zinc/75/50/22/655755022.db2.gz UIVPJTFTXTZUIN-UHFFFAOYSA-N 1 0 379.404 1.950 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)[NH+]1CCCC1 ZINC000858900161 655755024 /nfs/dbraw/zinc/75/50/24/655755024.db2.gz MPTXDMAWYOVARF-LLVKDONJSA-N 1 0 379.404 1.950 20 0 GDADRO C[NH+](C)C1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC1 ZINC000858899368 655755062 /nfs/dbraw/zinc/75/50/62/655755062.db2.gz SLMMAKXGZNWVHR-UHFFFAOYSA-N 1 0 379.404 1.902 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000859620703 655788086 /nfs/dbraw/zinc/78/80/86/655788086.db2.gz GRMQHUSQEKGJQL-UHFFFAOYSA-N 1 0 388.262 1.920 20 0 GDADRO Cc1nn(-c2ccccc2)c(Cl)c1CN1CCC(NS(N)(=O)=O)CC1 ZINC000859956240 655792183 /nfs/dbraw/zinc/79/21/83/655792183.db2.gz BWXVQNFZXRCUCT-UHFFFAOYSA-N 1 0 383.905 1.592 20 0 GDADRO CO[C@H]1CN(C)[C@@](C)(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000861340193 655819638 /nfs/dbraw/zinc/81/96/38/655819638.db2.gz GBPXGPBFPAWRHR-MLGOLLRUSA-N 1 0 377.409 1.949 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc1Cl ZINC000861541770 655825385 /nfs/dbraw/zinc/82/53/85/655825385.db2.gz HPCUTGUUBDSDED-SECBINFHSA-N 1 0 378.256 1.763 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000861576816 655826222 /nfs/dbraw/zinc/82/62/22/655826222.db2.gz SKXBKOWGKILLOZ-GFCCVEGCSA-N 1 0 385.306 1.786 20 0 GDADRO O=C(NCC[C@H]1CC1(Cl)Cl)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861654556 655827488 /nfs/dbraw/zinc/82/74/88/655827488.db2.gz VDIPLVSNMIIWGV-UHTWSYAYSA-N 1 0 391.299 1.537 20 0 GDADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2C[C@@]2(C)Br)CC1 ZINC000861680650 655828259 /nfs/dbraw/zinc/82/82/59/655828259.db2.gz GIAWEZKMASNERV-GDBMZVCRSA-N 1 0 377.323 1.746 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)nc2)CC[C@@H]1C(F)(F)F ZINC000861744464 655829759 /nfs/dbraw/zinc/82/97/59/655829759.db2.gz WNHVLCFCTBWASM-MNOVXSKESA-N 1 0 378.782 1.337 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000862276539 655843780 /nfs/dbraw/zinc/84/37/80/655843780.db2.gz SYMASAOZPPPVAX-LLVKDONJSA-N 1 0 385.477 1.549 20 0 GDADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]CCOCCS(C)(=O)=O)COC1(C)C ZINC000862278256 655843863 /nfs/dbraw/zinc/84/38/63/655843863.db2.gz FXBXVFPRWABWOY-CYBMUJFWSA-N 1 0 380.507 1.009 20 0 GDADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862284957 655843892 /nfs/dbraw/zinc/84/38/92/655843892.db2.gz OTRLMPGAOSXOQT-KBPBESRZSA-N 1 0 376.519 1.425 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000862649321 655850854 /nfs/dbraw/zinc/85/08/54/655850854.db2.gz UYAYXNQCYJZXRB-NSHDSACASA-N 1 0 384.267 1.711 20 0 GDADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000862792023 655855003 /nfs/dbraw/zinc/85/50/03/655855003.db2.gz LRAYWNYLBFPGEU-LBPRGKRZSA-N 1 0 393.289 1.887 20 0 GDADRO CON(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000863586115 655876777 /nfs/dbraw/zinc/87/67/77/655876777.db2.gz AZFGATGXFICNSY-SKDRFNHKSA-N 1 0 379.226 1.326 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000863772036 655880506 /nfs/dbraw/zinc/88/05/06/655880506.db2.gz DSAFEAWOUAKJEL-TZMCWYRMSA-N 1 0 382.302 1.831 20 0 GDADRO C[NH2+]C1(CNC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CCC1 ZINC000863922967 655883658 /nfs/dbraw/zinc/88/36/58/655883658.db2.gz HPMJJWXFVZKGMC-UHFFFAOYSA-N 1 0 375.288 1.725 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000864071105 655889369 /nfs/dbraw/zinc/88/93/69/655889369.db2.gz YWVSPVHOHPXAMC-QWRGUYRKSA-N 1 0 388.253 1.627 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC000864076586 655889500 /nfs/dbraw/zinc/88/95/00/655889500.db2.gz YXTOGXOXLWISIX-UHFFFAOYSA-N 1 0 387.322 1.929 20 0 GDADRO Cn1ncc(I)c1CNC(=O)NCC[NH+]1CCCCC1 ZINC000864428645 655897607 /nfs/dbraw/zinc/89/76/07/655897607.db2.gz HLBVVAIZBCXDOU-UHFFFAOYSA-N 1 0 391.257 1.310 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000864775705 655905893 /nfs/dbraw/zinc/90/58/93/655905893.db2.gz RNRBCNSUVOIWJJ-UHFFFAOYSA-N 1 0 388.253 1.725 20 0 GDADRO C[NH+]1CCC(NC(=O)Cn2nc(Br)nc2Br)CC1 ZINC000865357162 655917968 /nfs/dbraw/zinc/91/79/68/655917968.db2.gz FZVUMELGWODCAC-UHFFFAOYSA-N 1 0 381.072 1.014 20 0 GDADRO C[NH+](C)CC1CCN(c2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865447525 655919892 /nfs/dbraw/zinc/91/98/92/655919892.db2.gz JMKWIUMFYLABKB-UHFFFAOYSA-N 1 0 376.320 1.875 20 0 GDADRO NS(=O)(=O)c1cc(Br)ccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865485442 655920521 /nfs/dbraw/zinc/92/05/21/655920521.db2.gz RIKHJSUMXHBROZ-VXGBXAGGSA-N 1 0 390.303 1.372 20 0 GDADRO Cc1ccnc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1Br ZINC000865489712 655920558 /nfs/dbraw/zinc/92/05/58/655920558.db2.gz HNMFLYLWAZWJLN-NEPJUHHUSA-N 1 0 376.320 1.960 20 0 GDADRO C[C@@H]1CN(c2ccc(CO)c(Br)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000865649231 655923554 /nfs/dbraw/zinc/92/35/54/655923554.db2.gz PJPNXBWCIIHLBU-UKRRQHHQSA-N 1 0 383.334 1.799 20 0 GDADRO CS[C@@H]1CN(c2ccc(Br)cc2S(N)(=O)=O)C[C@H]1[NH+](C)C ZINC000865645372 655923570 /nfs/dbraw/zinc/92/35/70/655923570.db2.gz YZSWJMWTHPRDRC-VXGBXAGGSA-N 1 0 394.360 1.578 20 0 GDADRO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1 ZINC000865741789 655925537 /nfs/dbraw/zinc/92/55/37/655925537.db2.gz RWCDNFPSLFBRCL-IAGOWNOFSA-N 1 0 386.539 1.573 20 0 GDADRO COc1c(Br)cccc1C[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000865796563 655927093 /nfs/dbraw/zinc/92/70/93/655927093.db2.gz XGVDFPCFWSWSGK-MRXNPFEDSA-N 1 0 385.258 1.175 20 0 GDADRO CC(C)(C[NH2+]Cc1ncc(I)s1)CS(N)(=O)=O ZINC000865813696 655927566 /nfs/dbraw/zinc/92/75/66/655927566.db2.gz DCKDMZOVBADMHM-UHFFFAOYSA-N 1 0 389.284 1.152 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(Cl)nc(Cl)n2C)cc1 ZINC000865819377 655927928 /nfs/dbraw/zinc/92/79/28/655927928.db2.gz RSEGJXQQBUVNOZ-UHFFFAOYSA-N 1 0 377.297 1.967 20 0 GDADRO CCC(=O)N1CCC([NH2+]Cc2c(I)cnn2C)CC1 ZINC000865867838 655928559 /nfs/dbraw/zinc/92/85/59/655928559.db2.gz CRJUYLUYPCQALA-UHFFFAOYSA-N 1 0 376.242 1.515 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(I)nn2C)C[C@@H]1C ZINC000866020663 655933078 /nfs/dbraw/zinc/93/30/78/655933078.db2.gz OFYULPFWZGYJKM-QWRGUYRKSA-N 1 0 390.269 1.970 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000866102367 655934379 /nfs/dbraw/zinc/93/43/79/655934379.db2.gz FFQTVSGIZFOKDS-AWEZNQCLSA-N 1 0 382.302 1.945 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(c3cnn(-c4ccccn4)c(=O)c3Br)CC[C@H]21 ZINC000866205741 655936024 /nfs/dbraw/zinc/93/60/24/655936024.db2.gz ACYOUTBQERHXEW-CHWSQXEVSA-N 1 0 390.285 1.920 20 0 GDADRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)C1 ZINC000866487030 655946505 /nfs/dbraw/zinc/94/65/05/655946505.db2.gz TYJVZGQCQPKVOI-UXIGCNINSA-N 1 0 392.568 1.957 20 0 GDADRO O=C1COC[C@]2(C[NH2+]C3CC(c4ccc(Br)cc4)C3)COCCN12 ZINC000866554133 655949192 /nfs/dbraw/zinc/94/91/92/655949192.db2.gz PRAVJENBRDQECT-PVARCSIZSA-N 1 0 395.297 1.913 20 0 GDADRO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(F)cc1Br ZINC000866556416 655949466 /nfs/dbraw/zinc/94/94/66/655949466.db2.gz SZVFGRIRZOKHQR-ZBEGNZNMSA-N 1 0 387.249 1.867 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000866654547 655952623 /nfs/dbraw/zinc/95/26/23/655952623.db2.gz KKJAWCFVZTYYCC-HNNXBMFYSA-N 1 0 398.301 1.324 20 0 GDADRO COc1ccc(Br)c(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866711413 655956010 /nfs/dbraw/zinc/95/60/10/655956010.db2.gz KBRVJRKMCQNIDX-MAZHCROVSA-N 1 0 396.285 1.825 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000866736140 655957547 /nfs/dbraw/zinc/95/75/47/655957547.db2.gz UWDPDMOKILJJSX-HSZRJFAPSA-N 1 0 377.532 1.122 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000866742629 655958025 /nfs/dbraw/zinc/95/80/25/655958025.db2.gz AJKRAZRMOVMADV-RISCZKNCSA-N 1 0 377.304 1.635 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1Br ZINC000866750643 655958856 /nfs/dbraw/zinc/95/88/56/655958856.db2.gz OVULMRANZHSAAS-LBPRGKRZSA-N 1 0 391.335 1.822 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000866769418 655960973 /nfs/dbraw/zinc/96/09/73/655960973.db2.gz MTYONFQBWSEOHA-HNNXBMFYSA-N 1 0 375.535 1.647 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000866770649 655961220 /nfs/dbraw/zinc/96/12/20/655961220.db2.gz AQNFNRSKQYOKAM-DEOSSOPVSA-N 1 0 389.543 1.613 20 0 GDADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866771701 655961457 /nfs/dbraw/zinc/96/14/57/655961457.db2.gz IUNNZLPBRMFSOH-RISCZKNCSA-N 1 0 377.869 1.781 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000866776823 655962163 /nfs/dbraw/zinc/96/21/63/655962163.db2.gz LQUQIKGBXGJIQU-WBPRFABPSA-N 1 0 375.516 1.093 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N(C)CCOCC[NH3+] ZINC000866780860 655962910 /nfs/dbraw/zinc/96/29/10/655962910.db2.gz JSRVNIKISIXVRO-UHFFFAOYSA-N 1 0 381.292 1.195 20 0 GDADRO O=S(=O)(c1ccc(Cl)nc1F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000866781000 655962926 /nfs/dbraw/zinc/96/29/26/655962926.db2.gz KNIGEXYBIKOZNL-LBPRGKRZSA-N 1 0 377.869 1.653 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000866792894 655964296 /nfs/dbraw/zinc/96/42/96/655964296.db2.gz LKSBHCBJBUHMIG-CBAPKCEASA-N 1 0 393.694 1.860 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]([NH3+])C[C@@H]2C)c(F)cc1Br ZINC000866794637 655964406 /nfs/dbraw/zinc/96/44/06/655964406.db2.gz WKNKFOAEYVZNFL-JGVFFNPUSA-N 1 0 395.250 1.485 20 0 GDADRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866803327 655965469 /nfs/dbraw/zinc/96/54/69/655965469.db2.gz SQZKPEQCZMGBFD-UHFFFAOYSA-N 1 0 379.404 1.950 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000866814778 655966492 /nfs/dbraw/zinc/96/64/92/655966492.db2.gz HEZXLRHREILBHG-WMLDXEAASA-N 1 0 375.535 1.203 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000866816288 655966620 /nfs/dbraw/zinc/96/66/20/655966620.db2.gz DMHRNJQFOOIANJ-WCQGTBRESA-N 1 0 389.836 1.035 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000866816219 655966628 /nfs/dbraw/zinc/96/66/28/655966628.db2.gz KPZITGSQAGUGNT-UHTWSYAYSA-N 1 0 389.836 1.035 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000866816093 655966641 /nfs/dbraw/zinc/96/66/41/655966641.db2.gz IYPRAYZEEUEFKT-YUELXQCFSA-N 1 0 385.873 1.037 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866818217 655966799 /nfs/dbraw/zinc/96/67/99/655966799.db2.gz UHDXBHZVTBMFMF-MCIONIFRSA-N 1 0 385.873 1.204 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)s1 ZINC000866819201 655966831 /nfs/dbraw/zinc/96/68/31/655966831.db2.gz DHEKQUPRIRYWFY-GXTWGEPZSA-N 1 0 387.527 1.409 20 0 GDADRO COCCC1(NS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC[NH2+]CC1 ZINC000866821104 655967029 /nfs/dbraw/zinc/96/70/29/655967029.db2.gz PXTNJWKGBNCTGZ-UHFFFAOYSA-N 1 0 390.889 1.564 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)C(F)F ZINC000866823900 655967240 /nfs/dbraw/zinc/96/72/40/655967240.db2.gz JTCGFPPMJJBIEB-QWRGUYRKSA-N 1 0 380.438 1.198 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)c(Cl)cc21 ZINC000866824880 655967318 /nfs/dbraw/zinc/96/73/18/655967318.db2.gz VHYQZQZKTXNVBH-LSDHHAIUSA-N 1 0 383.901 1.764 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866825838 655967473 /nfs/dbraw/zinc/96/74/73/655967473.db2.gz SMYJGKUHDUQVSF-OLZOCXBDSA-N 1 0 388.287 1.063 20 0 GDADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866827321 655967557 /nfs/dbraw/zinc/96/75/57/655967557.db2.gz KYWMEYVXGRIVSX-CHWSQXEVSA-N 1 0 387.299 1.899 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866830468 655967932 /nfs/dbraw/zinc/96/79/32/655967932.db2.gz DBDFLOQTKCBOOA-NEPJUHHUSA-N 1 0 375.288 1.973 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)C1CC1 ZINC000866861829 655971429 /nfs/dbraw/zinc/97/14/29/655971429.db2.gz XCXRXOAZRZNFSF-HNNXBMFYSA-N 1 0 375.535 1.695 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000866917430 655976925 /nfs/dbraw/zinc/97/69/25/655976925.db2.gz NYWIAJKYTMTAEH-UHFFFAOYSA-N 1 0 377.913 1.925 20 0 GDADRO CCOC(=O)C1(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)CCC1 ZINC000866919177 655977188 /nfs/dbraw/zinc/97/71/88/655977188.db2.gz HUXLGAGTWOZSLU-UHFFFAOYSA-N 1 0 376.519 1.235 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1C(F)(F)F ZINC000867012726 655987183 /nfs/dbraw/zinc/98/71/83/655987183.db2.gz NYSQLBNNFWANIA-LBPRGKRZSA-N 1 0 380.436 1.791 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cc(Br)ccc2F)CC1 ZINC000867062127 655992615 /nfs/dbraw/zinc/99/26/15/655992615.db2.gz LANWNGCLPIPLHA-UHFFFAOYSA-N 1 0 395.294 1.934 20 0 GDADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC ZINC000867146798 656002360 /nfs/dbraw/zinc/00/23/60/656002360.db2.gz ZWIQXVOIUBVUEO-NSHDSACASA-N 1 0 376.450 1.630 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000867260615 656024841 /nfs/dbraw/zinc/02/48/41/656024841.db2.gz ATZBHMODFXBYBC-MZNJEOGPSA-N 1 0 385.555 1.947 20 0 GDADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cn(C)nc1Br ZINC000867261909 656025144 /nfs/dbraw/zinc/02/51/44/656025144.db2.gz ONZBZJJQCYWICT-GHMZBOCLSA-N 1 0 377.308 1.430 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cn(C)nc1Br ZINC000867269168 656027247 /nfs/dbraw/zinc/02/72/47/656027247.db2.gz GOOWTDXCABEWGY-MNOVXSKESA-N 1 0 377.308 1.430 20 0 GDADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)nc1F ZINC000867281329 656030278 /nfs/dbraw/zinc/03/02/78/656030278.db2.gz FDQNTIZNCUKLMM-UHFFFAOYSA-N 1 0 379.885 1.996 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000867298477 656033455 /nfs/dbraw/zinc/03/34/55/656033455.db2.gz FFCHLOCATUCDOQ-NSHDSACASA-N 1 0 380.436 1.934 20 0 GDADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000867309480 656035650 /nfs/dbraw/zinc/03/56/50/656035650.db2.gz SDFRIPVWHVUJBH-MFKMUULPSA-N 1 0 379.404 1.901 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCSCCC(F)(F)F)C1 ZINC000867532031 656078836 /nfs/dbraw/zinc/07/88/36/656078836.db2.gz GFRZNIDLASPZET-OLZOCXBDSA-N 1 0 381.464 1.731 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(Br)cn2)C1 ZINC000867532206 656078988 /nfs/dbraw/zinc/07/89/88/656078988.db2.gz HNTBNQKPWHTONS-DOMZBBRYSA-N 1 0 395.301 1.403 20 0 GDADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000867534251 656079523 /nfs/dbraw/zinc/07/95/23/656079523.db2.gz NMTSGTPDFPYIND-GFCCVEGCSA-N 1 0 380.297 1.608 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1C(F)(F)F ZINC000867541505 656081168 /nfs/dbraw/zinc/08/11/68/656081168.db2.gz ZDIRQIUKBILZIZ-LBPRGKRZSA-N 1 0 380.436 1.839 20 0 GDADRO CCOC(=O)C1(S(=O)(=O)N(CCOC)CC2CC[NH+](C)CC2)CCC1 ZINC000867580538 656087842 /nfs/dbraw/zinc/08/78/42/656087842.db2.gz CWFBCXZNYLUNGL-UHFFFAOYSA-N 1 0 376.519 1.092 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000867582884 656088304 /nfs/dbraw/zinc/08/83/04/656088304.db2.gz ZROUEXSSWPOETD-UHFFFAOYSA-N 1 0 391.921 1.723 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(F)cc1Cl ZINC000867808502 656119616 /nfs/dbraw/zinc/11/96/16/656119616.db2.gz NSPFASKQOUSXBE-HZMBPMFUSA-N 1 0 390.864 1.980 20 0 GDADRO Cc1nc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(Br)n1C ZINC000867809517 656119705 /nfs/dbraw/zinc/11/97/05/656119705.db2.gz SGQLXIGIXYFYAZ-MNOVXSKESA-N 1 0 377.308 1.206 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)c(F)c3)CC2)CC1 ZINC000867817326 656121290 /nfs/dbraw/zinc/12/12/90/656121290.db2.gz YONPFCXIFCHPDO-UHFFFAOYSA-N 1 0 375.897 1.880 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)CC1 ZINC000867817617 656121367 /nfs/dbraw/zinc/12/13/67/656121367.db2.gz LMCGWOZNSLGYOQ-UHFFFAOYSA-N 1 0 375.897 1.880 20 0 GDADRO CC(C)n1ncc(C(=O)NC[C@H]2CCCC[NH2+]2)c1I ZINC000867964743 656135953 /nfs/dbraw/zinc/13/59/53/656135953.db2.gz RKOGEUZAUSWOPH-SNVBAGLBSA-N 1 0 376.242 1.941 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c1I ZINC000867974202 656136409 /nfs/dbraw/zinc/13/64/09/656136409.db2.gz GBDWLQMYQWWJAI-LLVKDONJSA-N 1 0 388.253 1.941 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000868052708 656138686 /nfs/dbraw/zinc/13/86/86/656138686.db2.gz RSMMUFJLIRPUAG-LBPRGKRZSA-N 1 0 384.221 1.211 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000868052705 656138692 /nfs/dbraw/zinc/13/86/92/656138692.db2.gz RSMMUFJLIRPUAG-GFCCVEGCSA-N 1 0 384.221 1.211 20 0 GDADRO C[C@]1([NH3+])CCN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)C1 ZINC000868072335 656139413 /nfs/dbraw/zinc/13/94/13/656139413.db2.gz BVMIMCFCTKCLFB-KRWDZBQOSA-N 1 0 379.507 1.790 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1c(I)cnn1C ZINC000868216056 656144243 /nfs/dbraw/zinc/14/42/43/656144243.db2.gz FFPBFKYGVKMAPZ-JTQLQIEISA-N 1 0 393.273 1.554 20 0 GDADRO O=C(NCc1ncc(Br)s1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000868217582 656144484 /nfs/dbraw/zinc/14/44/84/656144484.db2.gz TVRMZVAXUCGLPX-NXEZZACHSA-N 1 0 375.292 1.568 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000868250712 656146437 /nfs/dbraw/zinc/14/64/37/656146437.db2.gz HWBJLOPFZFCGMH-ZYHUDNBSSA-N 1 0 382.258 1.607 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000868250073 656146458 /nfs/dbraw/zinc/14/64/58/656146458.db2.gz GXAGELOXEOWXLJ-KRWDZBQOSA-N 1 0 396.285 1.998 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 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[NH3+][C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000870852658 656250513 /nfs/dbraw/zinc/25/05/13/656250513.db2.gz JSPZJIYEARHPPC-CTYIDZIISA-N 1 0 385.917 1.690 20 0 GDADRO COCc1nc2n(n1)C[C@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)CC2 ZINC000870907590 656254720 /nfs/dbraw/zinc/25/47/20/656254720.db2.gz ZICLOYSJDIYDLZ-IUODEOHRSA-N 1 0 394.273 1.318 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1I ZINC000870914666 656255035 /nfs/dbraw/zinc/25/50/35/656255035.db2.gz PUDCRSXXRYPVCH-ZYHUDNBSSA-N 1 0 388.253 1.893 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1I ZINC000870912565 656255100 /nfs/dbraw/zinc/25/51/00/656255100.db2.gz HZQVSZNRRNZQNV-CQSZACIVSA-N 1 0 388.253 1.894 20 0 GDADRO [NH3+][C@H](C(=O)NC[C@H](CO)Cc1cccnc1)c1cccc(Br)c1 ZINC000870931477 656256308 /nfs/dbraw/zinc/25/63/08/656256308.db2.gz FTKYQUWYOHYMSI-CJNGLKHVSA-N 1 0 378.270 1.811 20 0 GDADRO CC(=O)N[C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000870945825 656258295 /nfs/dbraw/zinc/25/82/95/656258295.db2.gz YDJHMORZSAXNFP-STQMWFEESA-N 1 0 390.228 1.740 20 0 GDADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000871805943 656280230 /nfs/dbraw/zinc/28/02/30/656280230.db2.gz SPAHDYISHCSDRT-UDFDBXRZSA-N 1 0 377.507 1.693 20 0 GDADRO COc1cc(S(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cnc1Cl ZINC000871809721 656280773 /nfs/dbraw/zinc/28/07/73/656280773.db2.gz FPFKXQRRXAZRRA-LLVKDONJSA-N 1 0 375.878 1.181 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C[C@@H]1C(F)(F)F ZINC000871810983 656281109 /nfs/dbraw/zinc/28/11/09/656281109.db2.gz MGXQMIIIJWMFTE-JQWIXIFHSA-N 1 0 376.356 1.551 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Br)c1 ZINC000871810540 656281114 /nfs/dbraw/zinc/28/11/14/656281114.db2.gz NOWVJKFWPQPCOT-ZDUSSCGKSA-N 1 0 389.315 1.886 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)CCc2noc3ccccc32)C[C@H]1C(F)(F)F ZINC000871812571 656281695 /nfs/dbraw/zinc/28/16/95/656281695.db2.gz HHCIPGATSAYBFL-ZYHUDNBSSA-N 1 0 377.388 1.769 20 0 GDADRO CN1CCCc2ccc(S(=O)(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc21 ZINC000871813415 656282139 /nfs/dbraw/zinc/28/21/39/656282139.db2.gz IKZNYJXPMHTYBJ-GXTWGEPZSA-N 1 0 377.432 1.827 20 0 GDADRO COC(=O)c1c(C)cccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871814041 656282478 /nfs/dbraw/zinc/28/24/78/656282478.db2.gz OIHNSJAJAYJSRR-WDEREUQCSA-N 1 0 380.388 1.539 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)CC(C)(C)O)s1 ZINC000872200381 656319845 /nfs/dbraw/zinc/31/98/45/656319845.db2.gz HRHBBPMUBZTJMG-CYBMUJFWSA-N 1 0 378.560 1.433 20 0 GDADRO O=C1OC[C@]2(C[NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)COCCN12 ZINC000872230344 656320640 /nfs/dbraw/zinc/32/06/40/656320640.db2.gz YJDAYUBHVKHDNO-HIFRSBDPSA-N 1 0 389.221 1.432 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000872242850 656321140 /nfs/dbraw/zinc/32/11/40/656321140.db2.gz PUYDEDIAQKVUPB-ZDUSSCGKSA-N 1 0 375.185 1.987 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(F)c(C(F)F)c1)CN1CC[NH+](C)CC1 ZINC000872455693 656332468 /nfs/dbraw/zinc/33/24/68/656332468.db2.gz YSESSNGCVLRYAR-GFCCVEGCSA-N 1 0 379.448 1.925 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(Br)n1 ZINC000872478492 656338320 /nfs/dbraw/zinc/33/83/20/656338320.db2.gz XLLBMLLTLGRIGG-LBPRGKRZSA-N 1 0 391.335 1.148 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cccc(Br)n2)CCO1 ZINC000872506663 656344231 /nfs/dbraw/zinc/34/42/31/656344231.db2.gz CJHRZJUDJJQZOP-LBPRGKRZSA-N 1 0 392.319 1.575 20 0 GDADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872618661 656366982 /nfs/dbraw/zinc/36/69/82/656366982.db2.gz WEMZIQFWDLDYMV-LSDHHAIUSA-N 1 0 379.507 1.640 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000872624440 656367171 /nfs/dbraw/zinc/36/71/71/656367171.db2.gz ONWUWDOIDPZBOW-KKUMJFAQSA-N 1 0 375.535 1.646 20 0 GDADRO CC[C@@H]1COCCN1CCNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000872771664 656376122 /nfs/dbraw/zinc/37/61/22/656376122.db2.gz KFMNGMKUFLVPAB-LLVKDONJSA-N 1 0 381.420 1.876 20 0 GDADRO O=C(NCCOC(F)(F)C(F)(F)F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000873072215 656385224 /nfs/dbraw/zinc/38/52/24/656385224.db2.gz RKHRPFAMROFKHM-NSHDSACASA-N 1 0 375.338 1.711 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000873104783 656386438 /nfs/dbraw/zinc/38/64/38/656386438.db2.gz PWHOUCCEFKFFOL-DTWKUNHWSA-N 1 0 394.191 1.983 20 0 GDADRO COc1ccc(Cl)c(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873105493 656386443 /nfs/dbraw/zinc/38/64/43/656386443.db2.gz XLNQYRFOUSCRMG-WCBMZHEXSA-N 1 0 379.766 1.883 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1C(F)(F)F ZINC000873108447 656387115 /nfs/dbraw/zinc/38/71/15/656387115.db2.gz YHVBNCQVZJKBLZ-YUMQZZPRSA-N 1 0 395.179 1.378 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1F ZINC000873109117 656387137 /nfs/dbraw/zinc/38/71/37/656387137.db2.gz CYNZYJRWUCKAQY-MGPLVRAMSA-N 1 0 384.249 1.903 20 0 GDADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873657770 656401630 /nfs/dbraw/zinc/40/16/30/656401630.db2.gz HJCYYMWKLMDNPG-UHFFFAOYSA-N 1 0 396.285 1.925 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000873731652 656408936 /nfs/dbraw/zinc/40/89/36/656408936.db2.gz HDTGJZFEARGRGH-JQWIXIFHSA-N 1 0 384.274 1.995 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000874171680 656447868 /nfs/dbraw/zinc/44/78/68/656447868.db2.gz FOVWLWMVZSFIQS-AAEUAGOBSA-N 1 0 381.274 1.644 20 0 GDADRO Nc1cc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc(Br)n1 ZINC000874245697 656455465 /nfs/dbraw/zinc/45/54/65/656455465.db2.gz KNAWGIGDALWSBH-CYBMUJFWSA-N 1 0 383.290 1.753 20 0 GDADRO CN(CCNCc1nc(Br)c[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000922090315 656455793 /nfs/dbraw/zinc/45/57/93/656455793.db2.gz PGTUQDXLOHRIDV-UHFFFAOYSA-N 1 0 391.266 1.722 20 0 GDADRO CSc1cc(Br)ccc1C(=O)NCC[N@H+](C)CCOCCO ZINC000922109055 656456602 /nfs/dbraw/zinc/45/66/02/656456602.db2.gz DABDWTWDDCATKH-UHFFFAOYSA-N 1 0 391.331 1.842 20 0 GDADRO C[N@H+](CCNC(=O)[C@H]1CCc2cc(Br)ccc21)CCOCCO ZINC000922112438 656457106 /nfs/dbraw/zinc/45/71/06/656457106.db2.gz DTRZSNSQCXKYOZ-INIZCTEOSA-N 1 0 385.302 1.536 20 0 GDADRO CCc1sc(C(=O)NCC[N@H+](C)CCOCCO)cc1Br ZINC000922115610 656457434 /nfs/dbraw/zinc/45/74/34/656457434.db2.gz NFKUJDCVNLTYPJ-UHFFFAOYSA-N 1 0 379.320 1.744 20 0 GDADRO Cc1ccc(F)c(Br)c1C(=O)NCC[N@@H+](C)CCOCCO ZINC000922127729 656458785 /nfs/dbraw/zinc/45/87/85/656458785.db2.gz RRALFGYZWYUQGX-UHFFFAOYSA-N 1 0 377.254 1.567 20 0 GDADRO C[N@H+](CCNC(=O)Cc1cc(Br)ccc1Cl)CCOCCO ZINC000922126868 656458859 /nfs/dbraw/zinc/45/88/59/656458859.db2.gz GRARVQZEYONVFT-UHFFFAOYSA-N 1 0 393.709 1.702 20 0 GDADRO C[N@H+](CCNC(=O)Cc1ccc(Br)cc1Cl)CCOCCO ZINC000922128136 656459095 /nfs/dbraw/zinc/45/90/95/656459095.db2.gz FTFXFYBYUISGBG-UHFFFAOYSA-N 1 0 393.709 1.702 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874365841 656465445 /nfs/dbraw/zinc/46/54/45/656465445.db2.gz FDTLFDYABDTHNI-OLZOCXBDSA-N 1 0 381.274 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20 0 GDADRO C[C@H](Sc1nc(CC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cs1)C(N)=O ZINC000880623099 656900715 /nfs/dbraw/zinc/90/07/15/656900715.db2.gz VWYYORZGOLDKJV-UBHSHLNASA-N 1 0 382.555 1.785 20 0 GDADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000880620058 656900736 /nfs/dbraw/zinc/90/07/36/656900736.db2.gz OJJSYSKORQHVQE-WDEREUQCSA-N 1 0 391.212 1.942 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000928454600 656904006 /nfs/dbraw/zinc/90/40/06/656904006.db2.gz RMPMGDQDOXEDNP-GPCCPHFNSA-N 1 0 394.269 1.642 20 0 GDADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC000880699970 656905648 /nfs/dbraw/zinc/90/56/48/656905648.db2.gz BPXBJAHKUZJFOV-STQMWFEESA-N 1 0 384.571 1.888 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000881118348 656919963 /nfs/dbraw/zinc/91/99/63/656919963.db2.gz WSHDPLOUJUHVQA-LLVKDONJSA-N 1 0 386.543 1.808 20 0 GDADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000881118591 656920346 /nfs/dbraw/zinc/92/03/46/656920346.db2.gz ZNVOUNXMRNNQLH-UHFFFAOYSA-N 1 0 386.543 1.954 20 0 GDADRO C[NH+]1CCN(Cc2cn(C[C@H](O)c3ccc(F)c(Br)c3)nn2)CC1 ZINC000881419371 656935006 /nfs/dbraw/zinc/93/50/06/656935006.db2.gz YCQKTPHHOYALCO-INIZCTEOSA-N 1 0 398.280 1.661 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000929090010 656947532 /nfs/dbraw/zinc/94/75/32/656947532.db2.gz GKSKSSWUGYCAQN-OAHLLOKOSA-N 1 0 397.317 1.966 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881758775 656951834 /nfs/dbraw/zinc/95/18/34/656951834.db2.gz UEUWMNLTUCVZJL-HSZRJFAPSA-N 1 0 396.604 1.711 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000881784853 656957993 /nfs/dbraw/zinc/95/79/93/656957993.db2.gz ONBXUMHDKOGMNO-JBEBIEQOSA-N 1 0 386.543 1.309 20 0 GDADRO CC(C)[C@@H](CNc1ccc2nnc(Br)n2n1)[NH+]1CCN(C)CC1 ZINC000881788325 656959059 /nfs/dbraw/zinc/95/90/59/656959059.db2.gz YMGQSWGRICDTTB-GFCCVEGCSA-N 1 0 382.310 1.571 20 0 GDADRO CC1(C)CC[N@H+](CCNC(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000929544678 656971440 /nfs/dbraw/zinc/97/14/40/656971440.db2.gz JOXLVHGGYNFKDY-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO CCC[C@@H](C(=O)OCC)S(=O)(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000881870735 656977574 /nfs/dbraw/zinc/97/75/74/656977574.db2.gz YIRVTHUEYGXWNC-HNNXBMFYSA-N 1 0 378.535 1.527 20 0 GDADRO CC(C)[C@H](CC[N@H+](C)CC1CN(S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000929798033 656985021 /nfs/dbraw/zinc/98/50/21/656985021.db2.gz XVLYCIPJDWESAE-HNNXBMFYSA-N 1 0 377.551 1.749 20 0 GDADRO CCC[C@H](C(=O)OCC)S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000881899685 656985739 /nfs/dbraw/zinc/98/57/39/656985739.db2.gz CQZDHVULXPFFQC-HZPDHXFCSA-N 1 0 376.519 1.281 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(Br)nc2N)CC1 ZINC000929954158 656993127 /nfs/dbraw/zinc/99/31/27/656993127.db2.gz UMSFZWIDCQPZJU-UHFFFAOYSA-N 1 0 384.322 1.316 20 0 GDADRO C[C@@H](CNS(=O)(=O)N=[S@](C)(=O)C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000881937027 656997181 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1.260 20 0 GDADRO Nc1nc(Br)ccc1CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000930657693 657041030 /nfs/dbraw/zinc/04/10/30/657041030.db2.gz QKLFWOZLMFKYQV-CYBMUJFWSA-N 1 0 382.306 1.213 20 0 GDADRO Brc1nnc2ccc(N3CC[C@H](OCC[NH+]4CCCCC4)C3)nn12 ZINC000882116231 657046559 /nfs/dbraw/zinc/04/65/59/657046559.db2.gz UWNSNTDXSSRPEU-ZDUSSCGKSA-N 1 0 395.305 1.968 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000930799032 657050462 /nfs/dbraw/zinc/05/04/62/657050462.db2.gz XBHOULLLIAMLLP-UHFFFAOYSA-N 1 0 393.289 1.557 20 0 GDADRO CCO[C@H](CNC(=O)Nc1cn(C)cc(Br)c1=O)C[NH+](C)C ZINC000930816573 657052795 /nfs/dbraw/zinc/05/27/95/657052795.db2.gz PXZGKHCCFUGTPB-SNVBAGLBSA-N 1 0 375.267 1.236 20 0 GDADRO C[C@@H](CO)C1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000930857951 657055794 /nfs/dbraw/zinc/05/57/94/657055794.db2.gz MXRBEOUPKRDYDG-HOCLYGCPSA-N 1 0 376.563 1.328 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@@H]1CC(=O)NC1=O ZINC000930981197 657063547 /nfs/dbraw/zinc/06/35/47/657063547.db2.gz SZNFQJWSIBPNFR-ZDUSSCGKSA-N 1 0 396.285 1.392 20 0 GDADRO Cc1nccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1Br ZINC000931017190 657065944 /nfs/dbraw/zinc/06/59/44/657065944.db2.gz NDVSOKSZVPJPAJ-KGLIPLIRSA-N 1 0 383.290 1.637 20 0 GDADRO Cn1ncc(I)c1CN1CCC([NH+]2CCOCC2)CC1 ZINC000931035161 657067232 /nfs/dbraw/zinc/06/72/32/657067232.db2.gz GMUULWOIBBAYIO-UHFFFAOYSA-N 1 0 390.269 1.321 20 0 GDADRO C[C@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000931042604 657067699 /nfs/dbraw/zinc/06/76/99/657067699.db2.gz GXXGXMKYCKIMPE-AAEUAGOBSA-N 1 0 375.441 1.646 20 0 GDADRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ccc3nnc(Br)n3n2)C[C@@H](C)O1 ZINC000882205657 657071157 /nfs/dbraw/zinc/07/11/57/657071157.db2.gz MNLCNJHPSXVXKI-UPJWGTAASA-N 1 0 395.305 1.965 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000931217300 657081309 /nfs/dbraw/zinc/08/13/09/657081309.db2.gz OZGRZBMHWSUDMF-UHFFFAOYSA-N 1 0 384.322 1.769 20 0 GDADRO CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000931654370 657118115 /nfs/dbraw/zinc/11/81/15/657118115.db2.gz KXPAFPJVHXFUBY-AAEUAGOBSA-N 1 0 375.238 1.442 20 0 GDADRO C[C@@H]([NH2+][C@@H]1C(=O)NCC1(C)C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000931664455 657118632 /nfs/dbraw/zinc/11/86/32/657118632.db2.gz ROMWXNTXGWWGQX-BXUZGUMPSA-N 1 0 382.302 1.910 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000882431591 657118974 /nfs/dbraw/zinc/11/89/74/657118974.db2.gz YDSUDIXSHCIOBY-JKSUJKDBSA-N 1 0 375.535 1.122 20 0 GDADRO CCOC(=O)c1sc([C@@H]2CC[N@H+](CC3CN(S(C)(=O)=O)C3)C2)nc1C ZINC000931689940 657121259 /nfs/dbraw/zinc/12/12/59/657121259.db2.gz JOKQFDSCKSIVFC-CYBMUJFWSA-N 1 0 387.527 1.309 20 0 GDADRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000882481904 657131675 /nfs/dbraw/zinc/13/16/75/657131675.db2.gz NBMYGVGSICAASK-CABCVRRESA-N 1 0 385.555 1.668 20 0 GDADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2ncc(I)n2c1 ZINC000882487750 657133595 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GDADRO C[C@@]1(CC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCS(=O)(=O)N1 ZINC000932595013 657202366 /nfs/dbraw/zinc/20/23/66/657202366.db2.gz TZOIFPLFNGPRFW-INIZCTEOSA-N 1 0 389.587 1.326 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1=O ZINC000932679179 657208152 /nfs/dbraw/zinc/20/81/52/657208152.db2.gz QKOYOAODNDBXSS-UHFFFAOYSA-N 1 0 386.290 1.331 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2nc(Br)c3ccccn32)CC1 ZINC000932701549 657210722 /nfs/dbraw/zinc/21/07/22/657210722.db2.gz CYUFVEROXJAJRO-CYBMUJFWSA-N 1 0 394.317 1.853 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000932703516 657211452 /nfs/dbraw/zinc/21/14/52/657211452.db2.gz ONOLZJCLLPNYJA-LBPRGKRZSA-N 1 0 395.305 1.248 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2ccccc2[S@@](=O)C(F)(F)F)CC1 ZINC000932703794 657211625 /nfs/dbraw/zinc/21/16/25/657211625.db2.gz OWZRFGLSCLNMPN-RUZDIDTESA-N 1 0 377.432 1.681 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000932709384 657212192 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Cc1cc(Cl)nc(CNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000884604961 657366434 /nfs/dbraw/zinc/36/64/34/657366434.db2.gz SCAOGKBMINDQLB-GXSJLCMTSA-N 1 0 378.782 1.255 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000884606607 657366449 /nfs/dbraw/zinc/36/64/49/657366449.db2.gz GBDGIQNFCQPDQT-RYUDHWBXSA-N 1 0 377.794 1.860 20 0 GDADRO CCN(C(=O)C(=O)NC[C@H](C)Oc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000884621794 657367945 /nfs/dbraw/zinc/36/79/45/657367945.db2.gz TUJPUMDUKBNXHF-JSGCOSHPSA-N 1 0 398.301 1.543 20 0 GDADRO CSC1(CNC(=O)Nc2nc(-c3cnn(C)c3)ns2)CC[NH+](C)CC1 ZINC000934559568 657368075 /nfs/dbraw/zinc/36/80/75/657368075.db2.gz QEXCHGGFBAZACP-UHFFFAOYSA-N 1 0 381.531 1.888 20 0 GDADRO CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884644006 657368837 /nfs/dbraw/zinc/36/88/37/657368837.db2.gz AHOGMWBPDCEJOJ-QNWHQSFQSA-N 1 0 381.464 1.763 20 0 GDADRO O=C(NCc1c(Cl)cccc1OC(F)F)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884681923 657370812 /nfs/dbraw/zinc/37/08/12/657370812.db2.gz JUGCQURSGHCPDW-JTQLQIEISA-N 1 0 375.803 1.816 20 0 GDADRO COC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1cccc(Br)c1 ZINC000884678854 657370970 /nfs/dbraw/zinc/37/09/70/657370970.db2.gz NVERFVSCRYBKJQ-ZIAGYGMSSA-N 1 0 384.274 1.106 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000884685167 657371349 /nfs/dbraw/zinc/37/13/49/657371349.db2.gz AJYLVHOIYNCPKR-KFWWJZLASA-N 1 0 398.301 1.639 20 0 GDADRO CSCC(C)(C)[NH2+]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000934679835 657371605 /nfs/dbraw/zinc/37/16/05/657371605.db2.gz YVVWORMZRHZUFR-UHFFFAOYSA-N 1 0 388.555 1.818 20 0 GDADRO O=C(NCc1c(Cl)cccc1OC(F)F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000884694344 657373398 /nfs/dbraw/zinc/37/33/98/657373398.db2.gz JUUKDJAKRSPAFI-JTQLQIEISA-N 1 0 375.803 1.816 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000884720461 657375418 /nfs/dbraw/zinc/37/54/18/657375418.db2.gz NRQYKZDLVUDFBO-WFASDCNBSA-N 1 0 394.313 1.711 20 0 GDADRO CO[C@H](C[NH2+][C@H](CO)c1ccccc1I)[C@@H]1CCOC1 ZINC000934825395 657379522 /nfs/dbraw/zinc/37/95/22/657379522.db2.gz DEZITOYPQIHFTD-KCPJHIHWSA-N 1 0 391.249 1.966 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C[NH2+]1 ZINC000884819503 657381276 /nfs/dbraw/zinc/38/12/76/657381276.db2.gz GZQVVGDTSVZYJQ-NXEZZACHSA-N 1 0 375.803 1.814 20 0 GDADRO C[N@H+](CCO)CCNc1ncnc2cc(I)sc21 ZINC000884825271 657381696 /nfs/dbraw/zinc/38/16/96/657381696.db2.gz OBDNFHYVFJLSQC-UHFFFAOYSA-N 1 0 378.239 1.632 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934831134 657382759 /nfs/dbraw/zinc/38/27/59/657382759.db2.gz HFZPMEBLALAIOA-JKSUJKDBSA-N 1 0 375.531 1.882 20 0 GDADRO COCCOc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1Br ZINC000884872706 657383297 /nfs/dbraw/zinc/38/32/97/657383297.db2.gz RCSRMGQITDEROC-UHFFFAOYSA-N 1 0 395.319 1.704 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884977267 657395494 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O=C(NCC1(c2ccc(Br)cc2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000885101112 657419422 /nfs/dbraw/zinc/41/94/22/657419422.db2.gz QJQIYJIJXYJPKX-KBPBESRZSA-N 1 0 378.270 1.170 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)NCc3ncc(Cl)s3)C2)C1 ZINC000885108069 657420733 /nfs/dbraw/zinc/42/07/33/657420733.db2.gz FNMFNAZJGUKJGK-TUAOUCFPSA-N 1 0 386.905 1.158 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CC[C@@H]1[NH3+] ZINC000885109385 657421710 /nfs/dbraw/zinc/42/17/10/657421710.db2.gz PJGWFCDLZVCVLA-KWQFWETISA-N 1 0 378.782 1.566 20 0 GDADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccns1 ZINC000885185245 657426288 /nfs/dbraw/zinc/42/62/88/657426288.db2.gz PLQHNPGKWOMMFS-UHFFFAOYSA-N 1 0 380.539 1.581 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCCc2sccc2Br)CC[C@H]1[NH3+] ZINC000885209887 657428701 /nfs/dbraw/zinc/42/87/01/657428701.db2.gz DZQZMIIJXJCDJC-CMPLNLGQSA-N 1 0 388.331 1.755 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NCCc1sccc1Br)C2 ZINC000885210429 657429157 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ZINC000893556709 658421599 /nfs/dbraw/zinc/42/15/99/658421599.db2.gz BOEMEMOEDZMISW-BLLLJJGKSA-N 1 0 387.933 1.906 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[C@]2(C)Br)C1 ZINC000894005726 658489084 /nfs/dbraw/zinc/48/90/84/658489084.db2.gz MJQMKEVOBODLEL-MJBXVCDLSA-N 1 0 383.352 1.532 20 0 GDADRO CS(=O)(=O)C1CC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000894076063 658503035 /nfs/dbraw/zinc/50/30/35/658503035.db2.gz LZONNDKDKMWARW-UBHUBRDASA-N 1 0 387.299 1.720 20 0 GDADRO Cn1nc(Br)nc1CN[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000894140111 658511120 /nfs/dbraw/zinc/51/11/20/658511120.db2.gz ZYVKIBIJEKWGGR-HNNXBMFYSA-N 1 0 393.333 1.656 20 0 GDADRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)C1(F)F ZINC000894199317 658519753 /nfs/dbraw/zinc/51/97/53/658519753.db2.gz MZHVPUXCJZTWLH-ZIAGYGMSSA-N 1 0 376.425 1.517 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000894200033 658520288 /nfs/dbraw/zinc/52/02/88/658520288.db2.gz HZAYMKQQVRQSHE-CYBMUJFWSA-N 1 0 385.249 1.966 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNCc1cn(C)nc1I ZINC000894219194 658523249 /nfs/dbraw/zinc/52/32/49/658523249.db2.gz FVBPQLDCWKMEJO-GFCCVEGCSA-N 1 0 378.258 1.225 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(I)n1 ZINC000894285668 658533391 /nfs/dbraw/zinc/53/33/91/658533391.db2.gz YWUSYTXUEPMECO-WDEREUQCSA-N 1 0 397.282 1.470 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCN(c3ccccn3)C2)c(I)n1 ZINC000894359409 658544583 /nfs/dbraw/zinc/54/45/83/658544583.db2.gz NVZAJKOEMGPIBO-LBPRGKRZSA-N 1 0 383.237 1.788 20 0 GDADRO Cn1nc(Br)nc1C[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000894368037 658546330 /nfs/dbraw/zinc/54/63/30/658546330.db2.gz XFTIJWYSHHLKLZ-ZDUSSCGKSA-N 1 0 378.274 1.716 20 0 GDADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)O1 ZINC000894373289 658547014 /nfs/dbraw/zinc/54/70/14/658547014.db2.gz RNDWQQMUFICNLZ-NWDGAFQWSA-N 1 0 388.921 1.359 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1 ZINC000894426519 658555809 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COC(=O)[C@@]1(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1S(C)(=O)=O ZINC000895508456 658705455 /nfs/dbraw/zinc/70/54/55/658705455.db2.gz FHUUAWLMWWFAKG-GXTWGEPZSA-N 1 0 381.372 1.651 20 0 GDADRO CCO/C=C/[C@@](O)(C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)C(F)(F)F ZINC000895716131 658723529 /nfs/dbraw/zinc/72/35/29/658723529.db2.gz GUVLZWVUTMQRML-MYSGNRETSA-N 1 0 388.452 1.670 20 0 GDADRO COC(=O)c1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc1Br ZINC000895766846 658727429 /nfs/dbraw/zinc/72/74/29/658727429.db2.gz VJYHDUSQQSIHLQ-CQSZACIVSA-N 1 0 397.269 1.621 20 0 GDADRO O=C(CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)Nc1ccc(Br)cc1 ZINC000895812694 658731377 /nfs/dbraw/zinc/73/13/77/658731377.db2.gz WPEPWRWKKJHLFM-HNNXBMFYSA-N 1 0 396.285 1.615 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2I)C1 ZINC000895817786 658731955 /nfs/dbraw/zinc/73/19/55/658731955.db2.gz LJYGGMUWPPZBDD-JTQLQIEISA-N 1 0 390.269 1.924 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000896034341 658746229 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C[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896528764 658783696 /nfs/dbraw/zinc/78/36/96/658783696.db2.gz UKBSIAGLSPKJBJ-JBLDHEPKSA-N 1 0 397.155 1.633 20 0 GDADRO C[C@@H](NC(=O)c1cn2c(Br)cnc2s1)[C@H]1C[N@H+](C)CCN1C ZINC000896539200 658787180 /nfs/dbraw/zinc/78/71/80/658787180.db2.gz KGJNPFRKLJHYDF-NXEZZACHSA-N 1 0 386.319 1.522 20 0 GDADRO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896563563 658790152 /nfs/dbraw/zinc/79/01/52/658790152.db2.gz NAGBSLTXJGINQR-XEZPLFJOSA-N 1 0 384.318 1.967 20 0 GDADRO O=C(NCc1ncc(Br)cn1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000896608400 658796923 /nfs/dbraw/zinc/79/69/23/658796923.db2.gz DXKXLDMPPWTNDB-NWDGAFQWSA-N 1 0 386.319 1.618 20 0 GDADRO Cn1nc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1C(F)(F)F ZINC000896609160 658797509 /nfs/dbraw/zinc/79/75/09/658797509.db2.gz LMQPEEUESBNLNX-NWDGAFQWSA-N 1 0 377.436 1.818 20 0 GDADRO CO[C@]1(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CCC2)CCS(=O)(=O)C1 ZINC000896682030 658801216 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CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)CCOCC1 ZINC000897741901 658885684 /nfs/dbraw/zinc/88/56/84/658885684.db2.gz XFJDGWXSWVGIFE-GFCCVEGCSA-N 1 0 375.512 1.990 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)NCCc2sccc2Br)CCC1 ZINC000897785469 658890406 /nfs/dbraw/zinc/89/04/06/658890406.db2.gz FYUROCASZIYGIG-UHFFFAOYSA-N 1 0 388.331 1.770 20 0 GDADRO CC(=O)NCC1CCC([NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897978485 658907871 /nfs/dbraw/zinc/90/78/71/658907871.db2.gz QNQJRNGKLBYDLK-WDIPEOLASA-N 1 0 395.301 1.992 20 0 GDADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2I)C1 ZINC000898477763 658936887 /nfs/dbraw/zinc/93/68/87/658936887.db2.gz AAHLPUJHHPVKHO-KOLCDFICSA-N 1 0 377.226 1.846 20 0 GDADRO COC[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000898486797 658937490 /nfs/dbraw/zinc/93/74/90/658937490.db2.gz FZUATLXIOJGEAN-NWPKHEMWSA-N 1 0 375.531 1.926 20 0 GDADRO O=C(NCc1cscc1Cl)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000898587232 658941146 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1.450 20 0 GDADRO COC(=O)[C@@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000900430866 659106741 /nfs/dbraw/zinc/10/67/41/659106741.db2.gz VMULXTDDCUICPD-CABCVRRESA-N 1 0 397.269 1.500 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000900505790 659115540 /nfs/dbraw/zinc/11/55/40/659115540.db2.gz YQIUBCRGCRTQEB-GFCCVEGCSA-N 1 0 398.305 1.220 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H](O)c2cccc(Br)c2)C1 ZINC000900511673 659116829 /nfs/dbraw/zinc/11/68/29/659116829.db2.gz GIADYLZKXGJSOZ-DZGCQCFKSA-N 1 0 398.301 1.186 20 0 GDADRO C[NH+]1CCC(NCc2cn(C[C@@H](O)c3ccccc3Br)nn2)CC1 ZINC000900580011 659123502 /nfs/dbraw/zinc/12/35/02/659123502.db2.gz FPHLXQOQGHWDFV-QGZVFWFLSA-N 1 0 394.317 1.958 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000900644843 659129510 /nfs/dbraw/zinc/12/95/10/659129510.db2.gz OOPBUBLHNYALPX-MRXNPFEDSA-N 1 0 385.306 1.656 20 0 GDADRO CCn1c(Br)ncc1C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000900694707 659138340 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CC(C)(CO)[NH+]1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000901226727 659204010 /nfs/dbraw/zinc/20/40/10/659204010.db2.gz DRABTGYNGXZSEO-UHFFFAOYSA-N 1 0 389.283 1.033 20 0 GDADRO C[N@@H+]1CCCC12CCN(C(=O)CSc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000901300098 659208910 /nfs/dbraw/zinc/20/89/10/659208910.db2.gz DGTRXGRTIFCGIZ-UHFFFAOYSA-N 1 0 383.539 1.513 20 0 GDADRO NC(=O)[C@H](NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)cc1 ZINC000901630670 659224198 /nfs/dbraw/zinc/22/41/98/659224198.db2.gz KCBCTWIBQQLNMD-HZPDHXFCSA-N 1 0 382.302 1.818 20 0 GDADRO COC(=O)CCN1CCC[C@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)C1=O ZINC000901728970 659231281 /nfs/dbraw/zinc/23/12/81/659231281.db2.gz QRCJWTQWEYDVAH-NEPJUHHUSA-N 1 0 399.289 1.104 20 0 GDADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901730823 659231929 /nfs/dbraw/zinc/23/19/29/659231929.db2.gz XMQTWSRVSVSTOK-WDEREUQCSA-N 1 0 386.294 1.420 20 0 GDADRO O=C(c1nc2ccc(Br)cn2n1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000903035797 659291674 /nfs/dbraw/zinc/29/16/74/659291674.db2.gz QITWIJNWINYMJZ-CHWSQXEVSA-N 1 0 394.273 1.163 20 0 GDADRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903121779 659295379 /nfs/dbraw/zinc/29/53/79/659295379.db2.gz XNAUDMIZEKXWES-JTQLQIEISA-N 1 0 388.433 1.570 20 0 GDADRO CCOC(=O)[C@](C)(NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C(F)(F)F ZINC000903230993 659308957 /nfs/dbraw/zinc/30/89/57/659308957.db2.gz HQHMUMQPXCPLHF-AWEZNQCLSA-N 1 0 382.404 1.911 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903288164 659312266 /nfs/dbraw/zinc/31/22/66/659312266.db2.gz JJRBZLBQZAKHED-CQSZACIVSA-N 1 0 389.543 1.013 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903499527 659319586 /nfs/dbraw/zinc/31/95/86/659319586.db2.gz LOYJCFCBEOYXJA-DTWKUNHWSA-N 1 0 398.291 1.725 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)NCC[C@@H]1CC[NH2+]C1 ZINC000903512706 659322131 /nfs/dbraw/zinc/32/21/31/659322131.db2.gz DUJVNFJDPNTBFL-JTQLQIEISA-N 1 0 391.287 1.597 20 0 GDADRO [NH3+]C1CCC(NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC1 ZINC000903512928 659322457 /nfs/dbraw/zinc/32/24/57/659322457.db2.gz KNBSRNVUQUWWKN-UHFFFAOYSA-N 1 0 391.287 1.867 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1cc3ccccc3s1)C2 ZINC000903518245 659325424 /nfs/dbraw/zinc/32/54/24/659325424.db2.gz XUKMPXGLRKRQPB-AHIWAGSCSA-N 1 0 380.491 1.802 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000903518326 659325431 /nfs/dbraw/zinc/32/54/31/659325431.db2.gz JXROBMGLUNMOAY-IUCAKERBSA-N 1 0 399.257 1.917 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1F ZINC000903518688 659326126 /nfs/dbraw/zinc/32/61/26/659326126.db2.gz OVKMCLYZNREXFT-JTQLQIEISA-N 1 0 381.267 1.955 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903518504 659326172 /nfs/dbraw/zinc/32/61/72/659326172.db2.gz QPQXLWPVNFCVJQ-NXEZZACHSA-N 1 0 391.287 1.677 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)c1F ZINC000903519218 659326987 /nfs/dbraw/zinc/32/69/87/659326987.db2.gz UDWCLEMNGOLLPZ-CYBMUJFWSA-N 1 0 381.267 1.956 20 0 GDADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)c2ccc(I)s2)C1 ZINC000903520155 659327449 /nfs/dbraw/zinc/32/74/49/659327449.db2.gz RNYLTINKDYKTTM-QMMMGPOBSA-N 1 0 386.280 1.712 20 0 GDADRO O=S(=O)(Cc1cccc(F)c1Br)NC[C@@H]1C[NH2+]CCCO1 ZINC000903522172 659328160 /nfs/dbraw/zinc/32/81/60/659328160.db2.gz NXCLYVOKSNAROG-NSHDSACASA-N 1 0 381.267 1.386 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c1F ZINC000903521833 659328170 /nfs/dbraw/zinc/32/81/70/659328170.db2.gz JBZHSLPGVZDDII-SECBINFHSA-N 1 0 397.266 1.254 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCCN2S(=O)(=O)Cc1ncsc1Br ZINC000903531859 659331245 /nfs/dbraw/zinc/33/12/45/659331245.db2.gz QGMGZCLICMLVCQ-BXKDBHETSA-N 1 0 380.333 1.939 20 0 GDADRO CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903535863 659332503 /nfs/dbraw/zinc/33/25/03/659332503.db2.gz YEENXLBMTOSXKC-QWHCGFSZSA-N 1 0 379.404 1.240 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903537213 659332929 /nfs/dbraw/zinc/33/29/29/659332929.db2.gz PDFQGQJUXUXPGL-GUYCJALGSA-N 1 0 385.917 1.934 20 0 GDADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)CC[C@@H]1C(F)(F)F ZINC000903539954 659333807 /nfs/dbraw/zinc/33/38/07/659333807.db2.gz RXMKGDWLQGKXLV-VHSXEESVSA-N 1 0 381.196 1.994 20 0 GDADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903543991 659335196 /nfs/dbraw/zinc/33/51/96/659335196.db2.gz PNHSNKLGLLBBNG-UHFFFAOYSA-N 1 0 377.304 1.886 20 0 GDADRO Cc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c(Br)c1 ZINC000903544076 659335250 /nfs/dbraw/zinc/33/52/50/659335250.db2.gz SQKDSNQTSWYORF-UHFFFAOYSA-N 1 0 377.304 1.886 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000903549093 659337623 /nfs/dbraw/zinc/33/76/23/659337623.db2.gz WXDOSKIBPROMPP-GHMZBOCLSA-N 1 0 379.404 1.711 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903553884 659338812 /nfs/dbraw/zinc/33/88/12/659338812.db2.gz JYVCILGYRVPBSO-GFCCVEGCSA-N 1 0 381.267 1.873 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000903553830 659338952 /nfs/dbraw/zinc/33/89/52/659338952.db2.gz DFFQQZNOEUCCPM-LBPRGKRZSA-N 1 0 378.420 1.614 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)C[C@H]1CCCCC1(F)F)C2 ZINC000903552642 659338964 /nfs/dbraw/zinc/33/89/64/659338964.db2.gz RRJBRENCOJWHJY-COMQUAJESA-N 1 0 380.457 1.354 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903554451 659339518 /nfs/dbraw/zinc/33/95/18/659339518.db2.gz QTCPOTIFFYFLNZ-GFCCVEGCSA-N 1 0 391.287 1.512 20 0 GDADRO O=S(=O)(NCc1ccc(Br)c(Br)c1)C1C[NH2+]C1 ZINC000903555677 659339798 /nfs/dbraw/zinc/33/97/98/659339798.db2.gz XGAPYOSSGDCBAP-UHFFFAOYSA-N 1 0 384.093 1.603 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@@H](C)[C@H](CC[NH3+])C3)c(Cl)cc21 ZINC000903558085 659340252 /nfs/dbraw/zinc/34/02/52/659340252.db2.gz UFONZOFNXSNXQG-BXUZGUMPSA-N 1 0 385.917 1.854 20 0 GDADRO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)NCCCCCC1CC[NH2+]CC1 ZINC000903560831 659341060 /nfs/dbraw/zinc/34/10/60/659341060.db2.gz BAGVMLNSGAQFOB-INIZCTEOSA-N 1 0 380.576 1.291 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)NC[C@@H]1CCCCC[NH2+]1)C(F)(F)F ZINC000903565279 659343148 /nfs/dbraw/zinc/34/31/48/659343148.db2.gz UDKNPJBDBNKITO-NSHDSACASA-N 1 0 379.404 1.998 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000903566077 659343474 /nfs/dbraw/zinc/34/34/74/659343474.db2.gz ZBYQJFWDXNQKEP-UHFFFAOYSA-N 1 0 381.420 1.428 20 0 GDADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903572357 659345157 /nfs/dbraw/zinc/34/51/57/659345157.db2.gz MDDAAUZOCLFXBH-BXKDBHETSA-N 1 0 389.802 1.977 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C[C@H]1C(F)(F)F ZINC000903572265 659345230 /nfs/dbraw/zinc/34/52/30/659345230.db2.gz LWIDDCQMQKKZNK-MWLCHTKSSA-N 1 0 382.791 1.979 20 0 GDADRO Cn1cc(S(=O)(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1Cl ZINC000903573691 659345986 /nfs/dbraw/zinc/34/59/86/659345986.db2.gz LBWTURACVCPXSU-BLLLJJGKSA-N 1 0 382.873 1.608 20 0 GDADRO CN(C)C(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903578003 659348395 /nfs/dbraw/zinc/34/83/95/659348395.db2.gz AMWWQTOXZXVIJW-OLZOCXBDSA-N 1 0 379.404 1.289 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2ncccc2Br)CC[C@H]1C(F)(F)F ZINC000903578146 659348862 /nfs/dbraw/zinc/34/88/62/659348862.db2.gz CHCGOIIEHWQDIH-APPZFPTMSA-N 1 0 388.209 1.744 20 0 GDADRO COC(=O)c1ccc(C)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903578265 659349189 /nfs/dbraw/zinc/34/91/89/659349189.db2.gz DUBBGFYHSHAHBW-VXGBXAGGSA-N 1 0 380.388 1.682 20 0 GDADRO CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903579050 659349852 /nfs/dbraw/zinc/34/98/52/659349852.db2.gz LHBYUVUMCLMLRW-STQMWFEESA-N 1 0 379.404 1.854 20 0 GDADRO COC(=O)Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903579377 659350234 /nfs/dbraw/zinc/35/02/34/659350234.db2.gz NVTJPFDMTULBRQ-OLZOCXBDSA-N 1 0 380.388 1.302 20 0 GDADRO CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903579839 659350558 /nfs/dbraw/zinc/35/05/58/659350558.db2.gz QSRZCNRQALDZNQ-OLZOCXBDSA-N 1 0 379.404 1.935 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C[C@H]1[NH3+] ZINC000903583958 659353296 /nfs/dbraw/zinc/35/32/96/659353296.db2.gz GOAZILCMCUXMSQ-GFCCVEGCSA-N 1 0 379.404 1.337 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c(C)c1Cl ZINC000903590331 659356298 /nfs/dbraw/zinc/35/62/98/659356298.db2.gz VNUFXWDZKBHMFG-LKFCYVNXSA-N 1 0 378.903 1.998 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c(C)c1Cl ZINC000903590337 659356396 /nfs/dbraw/zinc/35/63/96/659356396.db2.gz VNUFXWDZKBHMFG-XPTSAGLGSA-N 1 0 378.903 1.998 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1OC ZINC000903593769 659357526 /nfs/dbraw/zinc/35/75/26/659357526.db2.gz VFFIIUKKXWHZLA-INIZCTEOSA-N 1 0 388.873 1.652 20 0 GDADRO CO[C@@H](C)CS(=O)(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1 ZINC000903652622 659368687 /nfs/dbraw/zinc/36/86/87/659368687.db2.gz NKHFKOIINZRMBG-LBPRGKRZSA-N 1 0 384.527 1.825 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C[C@H]1[NH3+] ZINC000903802313 659381802 /nfs/dbraw/zinc/38/18/02/659381802.db2.gz UEUVGJBDSJNQDC-HONMWMINSA-N 1 0 381.274 1.313 20 0 GDADRO O=C1NCCN(C[C@H]2CCC[NH2+]2)[C@H]1c1ccc(I)cc1 ZINC000903827815 659382469 /nfs/dbraw/zinc/38/24/69/659382469.db2.gz XTKOCCADVMYURV-KGLIPLIRSA-N 1 0 385.249 1.516 20 0 GDADRO COc1ncc(Br)cc1CNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903934437 659389589 /nfs/dbraw/zinc/38/95/89/659389589.db2.gz HGFHRQWBSLQRRR-ZDUSSCGKSA-N 1 0 381.278 1.659 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(CSc3ccc(F)cc3)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904081491 659394523 /nfs/dbraw/zinc/39/45/23/659394523.db2.gz ZYGCLWBUUWSSEA-ZLKJLUDKSA-N 1 0 383.470 1.676 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3ccccc3Br)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904106530 659395348 /nfs/dbraw/zinc/39/53/48/659395348.db2.gz WATQMAVKKGQQGT-GAFUQQFSSA-N 1 0 398.282 1.674 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Br)cn3)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904106581 659395581 /nfs/dbraw/zinc/39/55/81/659395581.db2.gz YBKFWMMAZWJNSQ-PTOFAABTSA-N 1 0 399.270 1.069 20 0 GDADRO [NH3+]C[C@H](NC(=O)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O)C(F)(F)F ZINC000904518387 659402975 /nfs/dbraw/zinc/40/29/75/659402975.db2.gz LXSILOUMQRFNLJ-QXFUBDJGSA-N 1 0 397.341 1.027 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000904537466 659403373 /nfs/dbraw/zinc/40/33/73/659403373.db2.gz JNTXAIQGAWQQIW-NSHDSACASA-N 1 0 383.246 1.900 20 0 GDADRO C[C@@](O)(C[NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(F)F ZINC000905048826 659419304 /nfs/dbraw/zinc/41/93/04/659419304.db2.gz FLIILYGZNOSHPA-CZUORRHYSA-N 1 0 378.441 1.250 20 0 GDADRO O=C(CC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)Nc1ccc(Br)cc1 ZINC000905059631 659419771 /nfs/dbraw/zinc/41/97/71/659419771.db2.gz PXVVFJKFOPEBGM-GOEBONIOSA-N 1 0 387.274 1.270 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CCCOC2CCCC2)CCC1 ZINC000905077324 659420650 /nfs/dbraw/zinc/42/06/50/659420650.db2.gz XIIAAGSCEYEPKW-INIZCTEOSA-N 1 0 376.563 1.927 20 0 GDADRO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)C[C@@]1(O)CCOC1 ZINC000905094789 659422692 /nfs/dbraw/zinc/42/26/92/659422692.db2.gz BLJRTRIONFEDQI-XIRDDKMYSA-N 1 0 385.302 1.520 20 0 GDADRO C[C@](O)(C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)C(F)(F)C(F)(F)F ZINC000905103175 659424062 /nfs/dbraw/zinc/42/40/62/659424062.db2.gz JSHFOYSOBXLYGY-MNOVXSKESA-N 1 0 398.394 1.013 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC[S@](=O)C(C)(C)C)CCC1 ZINC000905109935 659424761 /nfs/dbraw/zinc/42/47/61/659424761.db2.gz OYAQTYLPYRSTKX-NPMABZOXSA-N 1 0 382.592 1.125 20 0 GDADRO CC[C@H](CN1CCCC1)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905121643 659425707 /nfs/dbraw/zinc/42/57/07/659425707.db2.gz DJXWAVIONDJBLN-HZPDHXFCSA-N 1 0 375.579 1.452 20 0 GDADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000905132204 659426118 /nfs/dbraw/zinc/42/61/18/659426118.db2.gz KQMZTAWJDTVMOE-BVIKNXMNSA-N 1 0 375.531 1.806 20 0 GDADRO CN(CC[NH2+]C[C@H](O)C[C@H](O)c1ccccc1)S(=O)(=O)c1cccs1 ZINC000905178437 659429840 /nfs/dbraw/zinc/42/98/40/659429840.db2.gz WNICYPQCVABNDA-CVEARBPZSA-N 1 0 384.523 1.443 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1)c1cccs1 ZINC000905180558 659430236 /nfs/dbraw/zinc/43/02/36/659430236.db2.gz KPIYAJYIFVJAOX-HZPDHXFCSA-N 1 0 384.523 1.491 20 0 GDADRO O=C1[C@H]([NH2+]C[C@H](O)C2(O)CCOCC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000905204558 659432612 /nfs/dbraw/zinc/43/26/12/659432612.db2.gz WOVRLWSACOKDRS-CABCVRRESA-N 1 0 389.279 1.591 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)C2(O)CCCC2)cc1C(F)(F)F ZINC000905237742 659435595 /nfs/dbraw/zinc/43/55/95/659435595.db2.gz KYINCMAHFRFRPO-AWEZNQCLSA-N 1 0 381.416 1.865 20 0 GDADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@@H](O)C2(O)CCOCC2)c1 ZINC000905284299 659439572 /nfs/dbraw/zinc/43/95/72/659439572.db2.gz ATHHVKWQCVHSBO-OAHLLOKOSA-N 1 0 377.890 1.126 20 0 GDADRO CC(C)(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)[C@H]1COCC12OCCO2 ZINC000905283085 659439652 /nfs/dbraw/zinc/43/96/52/659439652.db2.gz CXURGAUBWYQDNM-PWSUYJOCSA-N 1 0 377.350 1.940 20 0 GDADRO O=C1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCN1Cc1ccc(Cl)cc1 ZINC000905338720 659443967 /nfs/dbraw/zinc/44/39/67/659443967.db2.gz KOXBNBPHDHNRRT-UHFFFAOYSA-N 1 0 385.917 1.314 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000905353024 659445772 /nfs/dbraw/zinc/44/57/72/659445772.db2.gz AQCXJDWLJGTAKM-ZDUSSCGKSA-N 1 0 380.919 1.303 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000905424098 659451773 /nfs/dbraw/zinc/45/17/73/659451773.db2.gz XEHGPGCPQGMWAU-SHTZXODSSA-N 1 0 389.539 1.659 20 0 GDADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000905431816 659452568 /nfs/dbraw/zinc/45/25/68/659452568.db2.gz MDUGDKMMVXIJDN-ZFWWWQNUSA-N 1 0 392.315 1.746 20 0 GDADRO C[C@](O)(C[NH2+]CCN1CCNC1=O)c1ccc(Br)cc1Cl ZINC000905480158 659457901 /nfs/dbraw/zinc/45/79/01/659457901.db2.gz CUOGRTUANJLKRG-AWEZNQCLSA-N 1 0 376.682 1.925 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCS(=O)(=O)C1 ZINC000905550566 659463884 /nfs/dbraw/zinc/46/38/84/659463884.db2.gz AIPGOOUMHAPFQM-DOMZBBRYSA-N 1 0 398.308 1.526 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 ZINC000905557167 659464744 /nfs/dbraw/zinc/46/47/44/659464744.db2.gz MFJXLEKSVNUBIY-XHDPSFHLSA-N 1 0 398.308 1.526 20 0 GDADRO O=c1n(CN2CC[NH+](C3CCC3)CC2)nnn1-c1ccc(Br)cc1 ZINC000905669571 659473716 /nfs/dbraw/zinc/47/37/16/659473716.db2.gz ZFKFRKXWJOUPPC-UHFFFAOYSA-N 1 0 393.289 1.319 20 0 GDADRO C[NH+](C)C[C@H]1CCN(Cn2nnn(-c3ccc(Br)cc3)c2=O)C1 ZINC000905668809 659473875 /nfs/dbraw/zinc/47/38/75/659473875.db2.gz SWDUDTZAENRSJF-GFCCVEGCSA-N 1 0 381.278 1.033 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCN1Cn1nnn(-c2ccc(Br)cc2)c1=O ZINC000905670521 659474469 /nfs/dbraw/zinc/47/44/69/659474469.db2.gz SERPPURGDHPUSY-CYBMUJFWSA-N 1 0 381.278 1.175 20 0 GDADRO O=c1cc(N2CC[C@@H]([NH2+]C[C@@H](O)c3ccc(Br)cc3)C2)nc[nH]1 ZINC000905695407 659476646 /nfs/dbraw/zinc/47/66/46/659476646.db2.gz KJHBTGAQQOQWOP-ZIAGYGMSSA-N 1 0 379.258 1.847 20 0 GDADRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000905701100 659477168 /nfs/dbraw/zinc/47/71/68/659477168.db2.gz CASGDFBVWRAECC-DFBGVHRSSA-N 1 0 387.274 1.521 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccn2ncc(Br)c12 ZINC000906639707 659563895 /nfs/dbraw/zinc/56/38/95/659563895.db2.gz NWBVKEZKGVXSIM-UHFFFAOYSA-N 1 0 394.317 1.806 20 0 GDADRO CO[C@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000906682958 659570308 /nfs/dbraw/zinc/57/03/08/659570308.db2.gz IRYGUPOFLJCFHN-FZMZJTMJSA-N 1 0 390.347 1.950 20 0 GDADRO Cc1cc(OCC(=O)NC[C@H](C)N2CC[NH+](C)CC2)ccc1Br ZINC000906683583 659570804 /nfs/dbraw/zinc/57/08/04/659570804.db2.gz NUQAKCBTAUFKNM-AWEZNQCLSA-N 1 0 384.318 1.888 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(Br)c1C ZINC000906749506 659581590 /nfs/dbraw/zinc/58/15/90/659581590.db2.gz XAQIZVQGXUSDQU-GFCCVEGCSA-N 1 0 384.274 1.533 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000906754355 659582495 /nfs/dbraw/zinc/58/24/95/659582495.db2.gz GAVRFASNHAINLN-SNVBAGLBSA-N 1 0 380.392 1.023 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906757700 659582911 /nfs/dbraw/zinc/58/29/11/659582911.db2.gz OYYZGOHWMVPHQO-OAHLLOKOSA-N 1 0 399.232 1.584 20 0 GDADRO Cn1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(I)n1 ZINC000906775340 659585008 /nfs/dbraw/zinc/58/50/08/659585008.db2.gz NUYHCVLGZGVUFR-LLVKDONJSA-N 1 0 388.253 1.583 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906780848 659586615 /nfs/dbraw/zinc/58/66/15/659586615.db2.gz BYAJVGHVCGPELV-QFYYESIMSA-N 1 0 382.258 1.655 20 0 GDADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906783209 659587635 /nfs/dbraw/zinc/58/76/35/659587635.db2.gz UUGYUUBDWKRWSS-AYVTZFPOSA-N 1 0 388.212 1.924 20 0 GDADRO C[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)Oc1ccccc1Br ZINC000906907353 659615460 /nfs/dbraw/zinc/61/54/60/659615460.db2.gz OKYQIFUVXDIMCZ-ZDUSSCGKSA-N 1 0 384.318 1.826 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1c[nH]c2ncc(Cl)cc12)CN1CC[NH+](C)CC1 ZINC000906987013 659635826 /nfs/dbraw/zinc/63/58/26/659635826.db2.gz JZKXREIHPRRRMI-LBPRGKRZSA-N 1 0 385.921 1.378 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1c[nH]c2c1cccc2Br ZINC000907066373 659657829 /nfs/dbraw/zinc/65/78/29/659657829.db2.gz SYIQQQYRFRZFOV-AWEZNQCLSA-N 1 0 390.303 1.521 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2c[nH]c3cc(Br)ccc32)C1 ZINC000907120551 659673275 /nfs/dbraw/zinc/67/32/75/659673275.db2.gz WYRPELYTWJEXHP-AWEZNQCLSA-N 1 0 388.287 1.275 20 0 GDADRO CS[C@@H]1CN(C(=O)c2nscc2I)C[C@H]1[NH+](C)C ZINC000907147303 659681039 /nfs/dbraw/zinc/68/10/39/659681039.db2.gz UYIRBOWRCNSRDU-RKDXNWHRSA-N 1 0 397.307 1.865 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)N[C@H]1CCc2ncc(Br)n2C1 ZINC000907281317 659718594 /nfs/dbraw/zinc/71/85/94/659718594.db2.gz NXHHBZOYIKVFRR-NSHDSACASA-N 1 0 381.278 1.149 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)C[C@]2(C)C1 ZINC000907550024 659781837 /nfs/dbraw/zinc/78/18/37/659781837.db2.gz YVOVCISMANADIQ-PXAZEXFGSA-N 1 0 383.901 1.797 20 0 GDADRO Cn1cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(I)n1 ZINC000907849857 659839028 /nfs/dbraw/zinc/83/90/28/659839028.db2.gz AYZVDYQPVCACDZ-NSHDSACASA-N 1 0 390.269 1.875 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccn2ncc(Br)c12 ZINC000907935494 659846032 /nfs/dbraw/zinc/84/60/32/659846032.db2.gz SAKISALGPDYKCH-LBPRGKRZSA-N 1 0 383.290 1.919 20 0 GDADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908006055 659852573 /nfs/dbraw/zinc/85/25/73/659852573.db2.gz DYGSGPRRILBFKH-STQMWFEESA-N 1 0 384.889 1.436 20 0 GDADRO O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000908016535 659856089 /nfs/dbraw/zinc/85/60/89/659856089.db2.gz WHYYMHQHCYTIOS-NEXFUWMNSA-N 1 0 384.464 1.968 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000908021841 659856772 /nfs/dbraw/zinc/85/67/72/659856772.db2.gz ZUJVBYSDWOTNII-ZDUSSCGKSA-N 1 0 385.306 1.850 20 0 GDADRO CO[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)s1 ZINC000908028321 659858153 /nfs/dbraw/zinc/85/81/53/659858153.db2.gz NKGMZQOCJBCVDK-SMDDNHRTSA-N 1 0 388.331 1.704 20 0 GDADRO O=C(Cc1noc2ccc(Br)cc21)N[C@H](CO)C[NH+]1CCCC1 ZINC000908202139 659881474 /nfs/dbraw/zinc/88/14/74/659881474.db2.gz IRCNJTOVNOPSEK-LBPRGKRZSA-N 1 0 382.258 1.706 20 0 GDADRO Cn1c(SCC(=O)N[C@H](CO)C[NH+]2CCCC2)nnc1-c1cccs1 ZINC000908206436 659882799 /nfs/dbraw/zinc/88/27/99/659882799.db2.gz RWJQDGPLGKVLMA-LBPRGKRZSA-N 1 0 381.527 1.209 20 0 GDADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@@H]2C[C@@H]2C(N)=O)CC1 ZINC000908261574 659889436 /nfs/dbraw/zinc/88/94/36/659889436.db2.gz JUDBOPSSMNBVOH-LSDHHAIUSA-N 1 0 394.313 1.993 20 0 GDADRO Cc1nc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)ccc1I 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Cc1cc(NC[C@H]2CCCCN2C(=O)C[C@H]2CCOC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266576 945546390 /nfs/dbraw/zinc/54/63/90/945546390.db2.gz UJZAVZZNTXAIKN-HUUCEWRRSA-N 1 0 385.472 1.212 20 0 GDADRO O=C(N[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cnon1 ZINC001571267798 945579552 /nfs/dbraw/zinc/57/95/52/945579552.db2.gz FARPRLAQQXSFDC-STQMWFEESA-N 1 0 386.391 1.220 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@H]1C[C@]12CCOC2 ZINC001571269096 945612509 /nfs/dbraw/zinc/61/25/09/945612509.db2.gz OOPBNGPOUTWALQ-XXZHDZSNSA-N 1 0 386.431 1.169 20 0 GDADRO C[C@@H](NC(=O)c1cn[nH]c1)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271360 945642348 /nfs/dbraw/zinc/64/23/48/945642348.db2.gz AVUGFPKXRKOMCP-VXGBXAGGSA-N 1 0 386.485 1.682 20 0 GDADRO Cc1nsc(C)c1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C ZINC001571271551 945644389 /nfs/dbraw/zinc/64/43/89/945644389.db2.gz DGLPLPSMZNBMAE-IINYFYTJSA-N 1 0 386.485 1.661 20 0 GDADRO Cc1nsc(C)c1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C ZINC001571271550 945644590 /nfs/dbraw/zinc/64/45/90/945644590.db2.gz DGLPLPSMZNBMAE-HZMBPMFUSA-N 1 0 386.485 1.661 20 0 GDADRO Cc1ncsc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001571271701 945648593 /nfs/dbraw/zinc/64/85/93/945648593.db2.gz HNDAWZLXUCVEBO-ZYHUDNBSSA-N 1 0 386.485 1.458 20 0 GDADRO CC(C)[C@@H](O)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001571271774 945650063 /nfs/dbraw/zinc/65/00/63/945650063.db2.gz JFSDUAJOHQOLRT-QZTJIDSGSA-N 1 0 386.500 1.697 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1)C(C)C ZINC001571271750 945650768 /nfs/dbraw/zinc/65/07/68/945650768.db2.gz ITEQRTSPZLNHTD-ZWKOTPCHSA-N 1 0 386.500 1.961 20 0 GDADRO Cc1nc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)sc1C ZINC001571271821 945651977 /nfs/dbraw/zinc/65/19/77/945651977.db2.gz KLWYZBHTORXRHW-GFCCVEGCSA-N 1 0 386.485 1.520 20 0 GDADRO C[C@@H]([NH2+]Cc1nccs1)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571272334 945659747 /nfs/dbraw/zinc/65/97/47/945659747.db2.gz SCPQSZHYNFWTKJ-NEPJUHHUSA-N 1 0 386.485 1.682 20 0 GDADRO CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001571272659 945667142 /nfs/dbraw/zinc/66/71/42/945667142.db2.gz YDULIKDCPDOWRT-CYBMUJFWSA-N 1 0 386.485 1.491 20 0 GDADRO CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC([NH2+]Cc2ccc(F)cc2F)C1 ZINC001571273981 945693424 /nfs/dbraw/zinc/69/34/24/945693424.db2.gz ADNQGIYLHVQXLY-UHFFFAOYSA-N 1 0 387.394 1.866 20 0 GDADRO O=C(Cn1cc(Cl)cn1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571274684 945698334 /nfs/dbraw/zinc/69/83/34/945698334.db2.gz JYSSYMAXOYVCDS-HNNXBMFYSA-N 1 0 386.847 1.107 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571276716 945736837 /nfs/dbraw/zinc/73/68/37/945736837.db2.gz JWOXAYAYGJPIFN-GSJFWJNXSA-N 1 0 387.394 1.771 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821623786 945752461 /nfs/dbraw/zinc/75/24/61/945752461.db2.gz SLOXCULIFXZQOJ-JSGCOSHPSA-N 1 0 375.502 1.307 20 0 GDADRO C[C@H]([NH2+]Cc1nncs1)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571280967 945794748 /nfs/dbraw/zinc/79/47/48/945794748.db2.gz AUUCTOXUDLOXEN-JTQLQIEISA-N 1 0 387.473 1.077 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CCCO3)C2)cc1-c1nn[nH]n1 ZINC001571280027 945794958 /nfs/dbraw/zinc/79/49/58/945794958.db2.gz ZUBCRTSEDIAGED-QLFBSQMISA-N 1 0 386.456 1.181 20 0 GDADRO C[C@@]1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+](CCCC2CCOCC2)C1 ZINC001571281058 945796895 /nfs/dbraw/zinc/79/68/95/945796895.db2.gz BLDGNHUARZVIMK-LJQANCHMSA-N 1 0 387.488 1.596 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571281659 945809873 /nfs/dbraw/zinc/80/98/73/945809873.db2.gz KXAYRGNBRUYYAK-WMLDXEAASA-N 1 0 387.463 1.181 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](OCC2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001571281757 945812442 /nfs/dbraw/zinc/81/24/42/945812442.db2.gz NFIBMTVIYJLEFA-OAHLLOKOSA-N 1 0 387.488 1.546 20 0 GDADRO O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CC12CC2 ZINC001571282096 945826704 /nfs/dbraw/zinc/82/67/04/945826704.db2.gz CXTDWEIUIWFEEU-KBAYOESNSA-N 1 0 387.447 1.678 20 0 GDADRO O=C(c1n[nH]cc1F)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001571285326 945913783 /nfs/dbraw/zinc/91/37/83/945913783.db2.gz BERIPRNXVGILHR-UHFFFAOYSA-N 1 0 388.382 1.262 20 0 GDADRO O=C(c1n[nH]cc1F)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571285390 945914953 /nfs/dbraw/zinc/91/49/53/945914953.db2.gz CKWKHZSVDFISFI-JTQLQIEISA-N 1 0 388.382 1.120 20 0 GDADRO O=C(N[C@@H]1CC12CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2)[C@@H]1CC1(F)F ZINC001571286969 945965972 /nfs/dbraw/zinc/96/59/72/945965972.db2.gz WWTBLDCAEFVFEZ-LSDHHAIUSA-N 1 0 388.422 1.993 20 0 GDADRO C[C@@H]1COCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287211 945968808 /nfs/dbraw/zinc/96/88/08/945968808.db2.gz ARTNLTBDYBDAMO-RAEVTNRLSA-N 1 0 388.447 1.415 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCCO1 ZINC001571287623 945975817 /nfs/dbraw/zinc/97/58/17/945975817.db2.gz GGXALRYXEFSEJV-BRWVUGGUSA-N 1 0 388.447 1.702 20 0 GDADRO CCO[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287661 945978615 /nfs/dbraw/zinc/97/86/15/945978615.db2.gz HFHAAUAJISGOND-HPZZRFSDSA-N 1 0 388.447 1.415 20 0 GDADRO CCO[C@H]1C[C@@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571287856 945981284 /nfs/dbraw/zinc/98/12/84/945981284.db2.gz JOCJRVBFMSCTFS-IRXDYDNUSA-N 1 0 388.447 1.511 20 0 GDADRO CO[C@H](C)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571288287 945985808 /nfs/dbraw/zinc/98/58/08/945985808.db2.gz NHGZLSUWRUNMTF-YJYMSZOUSA-N 1 0 388.447 1.465 20 0 GDADRO CC[C@H]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)O1 ZINC001571288523 945988872 /nfs/dbraw/zinc/98/88/72/945988872.db2.gz PWELGOBGCJGXFL-AYMQEEERSA-N 1 0 388.447 1.700 20 0 GDADRO O=C(C[C@H]1CCCO1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571288758 945992864 /nfs/dbraw/zinc/99/28/64/945992864.db2.gz SVWVUALVUYOJJG-HZPDHXFCSA-N 1 0 388.447 1.656 20 0 GDADRO C[C@@H]1CO[C@@H](C(=O)NC2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001571288934 945996053 /nfs/dbraw/zinc/99/60/53/945996053.db2.gz USRKAPUFMMWUAT-YVEFUNNKSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@@H]1CCOC1 ZINC001571289241 945998368 /nfs/dbraw/zinc/99/83/68/945998368.db2.gz XUZQRSMEFSMHHC-LSDHHAIUSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571289317 946001272 /nfs/dbraw/zinc/00/12/72/946001272.db2.gz ZNMABGSLZTXCLZ-SPWCGHHHSA-N 1 0 388.447 1.415 20 0 GDADRO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)sn1 ZINC001571289556 946010023 /nfs/dbraw/zinc/01/00/23/946010023.db2.gz HMAXJEYJGICKAG-GXSJLCMTSA-N 1 0 388.457 1.053 20 0 GDADRO COc1cc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C)sn1 ZINC001571289991 946026728 /nfs/dbraw/zinc/02/67/28/946026728.db2.gz RXPSDKFEHUVPCS-BXKDBHETSA-N 1 0 388.457 1.053 20 0 GDADRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571290160 946032361 /nfs/dbraw/zinc/03/23/61/946032361.db2.gz WMSDQLMIFGDEAA-MRXNPFEDSA-N 1 0 388.457 1.060 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)ccn1 ZINC001571293456 946105520 /nfs/dbraw/zinc/10/55/20/946105520.db2.gz IVNHNRFDRVRZRZ-LDLYASANSA-N 1 0 389.463 1.678 20 0 GDADRO CC[C@H](SC)C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571294922 946148066 /nfs/dbraw/zinc/14/80/66/946148066.db2.gz MOGKRUGNYXUMJP-CJNGLKHVSA-N 1 0 389.529 1.996 20 0 GDADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000822723880 946166438 /nfs/dbraw/zinc/16/64/38/946166438.db2.gz RTVDYFYWTZOOJQ-LBPRGKRZSA-N 1 0 397.405 1.972 20 0 GDADRO O=C(c1ccc2c(c1)CCO2)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571295873 946176861 /nfs/dbraw/zinc/17/68/61/946176861.db2.gz IGZQZSSNXOSMAA-GOSISDBHSA-N 1 0 390.447 1.806 20 0 GDADRO CS[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001571297928 946202187 /nfs/dbraw/zinc/20/21/87/946202187.db2.gz DOHJISVYTBNUDY-FPMFFAJLSA-N 1 0 390.488 1.648 20 0 GDADRO CC(C)[C@@H](O)C(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571298071 946205312 /nfs/dbraw/zinc/20/53/12/946205312.db2.gz JAUWRHKDVVMHPR-HZPDHXFCSA-N 1 0 390.463 1.349 20 0 GDADRO O=C(N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1(c2cccnc2)CC1 ZINC001571298268 946210813 /nfs/dbraw/zinc/21/08/13/946210813.db2.gz MBKQETKELLNKCA-HNNXBMFYSA-N 1 0 390.451 1.213 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)C(C)(C)F)C[C@H]1C ZINC001571298491 946217747 /nfs/dbraw/zinc/21/77/47/946217747.db2.gz PJTYRFZPYPESEI-DOMZBBRYSA-N 1 0 390.463 1.950 20 0 GDADRO O=C(CC[N@H+]1CCCC[C@@H]1CO)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000822964155 946235132 /nfs/dbraw/zinc/23/51/32/946235132.db2.gz FGKZLZSTTIPKJU-GFCCVEGCSA-N 1 0 390.513 1.982 20 0 GDADRO O=C(CC[N@H+]1CC[C@@H](CO)C1)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000822964645 946237613 /nfs/dbraw/zinc/23/76/13/946237613.db2.gz NDJNQIQRBINQPR-LLVKDONJSA-N 1 0 376.486 1.450 20 0 GDADRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccccc1-c1nn[nH]n1)C2)c1cnccn1 ZINC001571299309 946246692 /nfs/dbraw/zinc/24/66/92/946246692.db2.gz WBVSZVZMBLVEEI-UHFFFAOYSA-N 1 0 390.451 1.488 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H]1CCCN1C(=O)[C@@H]1CCCOC1 ZINC001571299383 946249680 /nfs/dbraw/zinc/24/96/80/946249680.db2.gz LZYHHJDXJMJKIV-KGLIPLIRSA-N 1 0 390.513 1.778 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1ccnc(C2CC2)n1 ZINC001571299562 946255010 /nfs/dbraw/zinc/25/50/10/946255010.db2.gz XFDSBMCWQRAIOE-OAHLLOKOSA-N 1 0 390.451 1.538 20 0 GDADRO C[C@H]1OCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571299700 946259293 /nfs/dbraw/zinc/25/92/93/946259293.db2.gz OQRIUVWYDQKOAX-OCCSQVGLSA-N 1 0 390.513 1.824 20 0 GDADRO Cc1ccc(C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@@]3(C)C2)cn1 ZINC001571299795 946261786 /nfs/dbraw/zinc/26/17/86/946261786.db2.gz VCQKBQGOVMRTAS-QRWLVFNGSA-N 1 0 390.451 1.564 20 0 GDADRO O=C(c1cnns1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571300126 946271571 /nfs/dbraw/zinc/27/15/71/946271571.db2.gz VOHFFNAMNXXHOK-JTQLQIEISA-N 1 0 390.498 1.422 20 0 GDADRO O=C(C1CCC(O)CC1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571300263 946278663 /nfs/dbraw/zinc/27/86/63/946278663.db2.gz XYXVBDHWGLKEID-IYXRBSQSSA-N 1 0 390.513 1.417 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823689852 946467540 /nfs/dbraw/zinc/46/75/40/946467540.db2.gz JWEAQOUTZOHWFO-AEFFLSMTSA-N 1 0 386.500 1.414 20 0 GDADRO CCc1ncncc1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571312755 946500745 /nfs/dbraw/zinc/50/07/45/946500745.db2.gz CPZWLLFRDWTPHP-CYBMUJFWSA-N 1 0 392.467 1.469 20 0 GDADRO C[C@@H](NC(=O)c1ccncn1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571313438 946522383 /nfs/dbraw/zinc/52/23/83/946522383.db2.gz ONRRVBXLFOSHEL-CQSZACIVSA-N 1 0 392.467 1.687 20 0 GDADRO Cc1cc(NC[C@@H]2CCN(C(=O)c3ccncc3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314767 946544609 /nfs/dbraw/zinc/54/46/09/946544609.db2.gz CKZCAFWORVNMDP-CJNGLKHVSA-N 1 0 392.467 1.597 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cnn1 ZINC001571315226 946549559 /nfs/dbraw/zinc/54/95/59/946549559.db2.gz HRZKOSDXBDFMLD-FUHWJXTLSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)[C@H]2C)cnn1 ZINC001571315590 946555323 /nfs/dbraw/zinc/55/53/23/946555323.db2.gz LYDFXRCRUWPQBY-KBXCAEBGSA-N 1 0 392.467 1.748 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)nn1 ZINC001571315881 946561071 /nfs/dbraw/zinc/56/10/71/946561071.db2.gz QPEZVUDAADJKFI-QGZVFWFLSA-N 1 0 392.467 1.620 20 0 GDADRO O=C(NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1n[nH]c2c1CCC2 ZINC001571316354 946574072 /nfs/dbraw/zinc/57/40/72/946574072.db2.gz ANCHPAUDHBSZSF-CQSZACIVSA-N 1 0 392.467 1.330 20 0 GDADRO Cn1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2-c2nn[nH]n2)cn1 ZINC001571316415 946576769 /nfs/dbraw/zinc/57/67/69/946576769.db2.gz BYNSNKRTNITLLF-NJAFHUGGSA-N 1 0 392.467 1.064 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)c1cc(C2CC2)n[nH]1 ZINC001571316622 946581356 /nfs/dbraw/zinc/58/13/56/946581356.db2.gz IIATUQASYIIORE-UHFFFAOYSA-N 1 0 392.467 1.862 20 0 GDADRO Cn1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571316584 946582499 /nfs/dbraw/zinc/58/24/99/946582499.db2.gz HFWKWPPWSOPKKY-KURKYZTESA-N 1 0 392.467 1.064 20 0 GDADRO Cc1nccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571317060 946599693 /nfs/dbraw/zinc/59/96/93/946599693.db2.gz UIYVZBNGWFNUNM-SJORKVTESA-N 1 0 392.467 1.653 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1c[nH]nc1C1CC1 ZINC001571317120 946602283 /nfs/dbraw/zinc/60/22/83/946602283.db2.gz VQNNAJLJGHMCEN-MRXNPFEDSA-N 1 0 392.467 1.862 20 0 GDADRO Cc1cnn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001571317214 946604785 /nfs/dbraw/zinc/60/47/85/946604785.db2.gz YBUCRRUILICAJH-SQNIBIBYSA-N 1 0 392.467 1.293 20 0 GDADRO O=C(c1cnn(CC2CC2)c1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317719 946619228 /nfs/dbraw/zinc/61/92/28/946619228.db2.gz SNFDUTPEOKKLTC-GOSISDBHSA-N 1 0 392.467 1.478 20 0 GDADRO C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[nH]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824506082 946752661 /nfs/dbraw/zinc/75/26/61/946752661.db2.gz LAOQHYQGWCOPPS-HIFRSBDPSA-N 1 0 395.471 1.632 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562357 946801856 /nfs/dbraw/zinc/80/18/56/946801856.db2.gz GCXWYLXCPMMOMH-ZDUSSCGKSA-N 1 0 384.415 1.852 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000824598610 946848470 /nfs/dbraw/zinc/84/84/70/946848470.db2.gz HRAYTMSTKCQHHR-XJKSGUPXSA-N 1 0 394.501 1.006 20 0 GDADRO C[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824613933 946864751 /nfs/dbraw/zinc/86/47/51/946864751.db2.gz YNHCOXGRFWESBE-YUNKPMOVSA-N 1 0 391.435 1.772 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824975017 947016354 /nfs/dbraw/zinc/01/63/54/947016354.db2.gz IEKVESYFJXGTRP-WMLDXEAASA-N 1 0 384.488 1.356 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825453895 947195793 /nfs/dbraw/zinc/19/57/93/947195793.db2.gz XKTUJHYSNDJSQC-KRWDZBQOSA-N 1 0 394.483 1.917 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CCC1 ZINC001573592619 947341471 /nfs/dbraw/zinc/34/14/71/947341471.db2.gz LHCSKULHEYAEMM-RHSMWYFYSA-N 1 0 386.500 1.554 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccn(C(F)F)n1 ZINC000825865625 947349567 /nfs/dbraw/zinc/34/95/67/947349567.db2.gz INEGGHQUFQRZQQ-UHFFFAOYSA-N 1 0 390.398 1.662 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573592890 947355622 /nfs/dbraw/zinc/35/56/22/947355622.db2.gz GLQBOESIGIDWIE-CRAIPNDOSA-N 1 0 379.468 1.962 20 0 GDADRO C[N@H+](C[C@H]1CC=CCC1)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825908625 947365922 /nfs/dbraw/zinc/36/59/22/947365922.db2.gz KBDGABDJORESGA-HNNXBMFYSA-N 1 0 395.467 1.877 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826030028 947408821 /nfs/dbraw/zinc/40/88/21/947408821.db2.gz ZVRYQUZHCHTSHR-NVXWUHKLSA-N 1 0 385.472 1.371 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(F)F ZINC001573594875 947410560 /nfs/dbraw/zinc/41/05/60/947410560.db2.gz DDZUCRNNCNSCHP-FZMZJTMJSA-N 1 0 382.415 1.067 20 0 GDADRO C[N@@H+]1CCCC12CCN(CCS(=O)(=O)c1cccc(-c3nn[nH]n3)c1)CC2 ZINC000826034632 947412329 /nfs/dbraw/zinc/41/23/29/947412329.db2.gz UAYHXWRFGPXBLR-UHFFFAOYSA-N 1 0 390.513 1.201 20 0 GDADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826060239 947421198 /nfs/dbraw/zinc/42/11/98/947421198.db2.gz IYHDYLFOTXKZLY-ZWKOTPCHSA-N 1 0 383.500 1.335 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccn1 ZINC001573604474 947511338 /nfs/dbraw/zinc/51/13/38/947511338.db2.gz UWIMCOATJSSRDU-CYBMUJFWSA-N 1 0 386.435 1.354 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N(C)CCC[NH+](C)C ZINC000826175457 947544691 /nfs/dbraw/zinc/54/46/91/947544691.db2.gz GEKROTWGIPSJDV-UHFFFAOYSA-N 1 0 376.461 1.444 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573618831 947655485 /nfs/dbraw/zinc/65/54/85/947655485.db2.gz SPGPITIMPRXASW-ZWNOBZJWSA-N 1 0 382.390 1.988 20 0 GDADRO CC(=O)CCCC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573362997 947707667 /nfs/dbraw/zinc/70/76/67/947707667.db2.gz AJQCYAVXIIHQAL-GFCCVEGCSA-N 1 0 376.436 1.702 20 0 GDADRO C[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)n1cccn1 ZINC001573627096 947717837 /nfs/dbraw/zinc/71/78/37/947717837.db2.gz YRCDJXIRGZBCNW-GFCCVEGCSA-N 1 0 386.485 1.467 20 0 GDADRO C/C(=C\C(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001573364967 947728110 /nfs/dbraw/zinc/72/81/10/947728110.db2.gz RZQITYKDQDQBRZ-BNCSFYMNSA-N 1 0 381.484 1.999 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573368329 947766921 /nfs/dbraw/zinc/76/69/21/947766921.db2.gz MTLZVUVPCSQYKK-CRAIPNDOSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573368332 947766957 /nfs/dbraw/zinc/76/69/57/947766957.db2.gz MTLZVUVPCSQYKK-YJBOKZPZSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1C ZINC001573369588 947773930 /nfs/dbraw/zinc/77/39/30/947773930.db2.gz UWSOZYCIIXOCHJ-WFASDCNBSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001573374163 947807237 /nfs/dbraw/zinc/80/72/37/947807237.db2.gz NADCVJJOKKGXJT-WBMJQRKESA-N 1 0 385.472 1.400 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1CC[C@H](C)N(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573374628 947812186 /nfs/dbraw/zinc/81/21/86/947812186.db2.gz KOMCOMBTQJXDGG-DZGCQCFKSA-N 1 0 385.472 1.803 20 0 GDADRO Cc1ccc([C@@H](CNC(=O)Cc2noc(C)c2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000826283960 947814861 /nfs/dbraw/zinc/81/48/61/947814861.db2.gz GKKMSEFLAOCLNM-CQSZACIVSA-N 1 0 385.428 1.560 20 0 GDADRO CC(=O)CCCC(=O)N1CCC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573376331 947834439 /nfs/dbraw/zinc/83/44/39/947834439.db2.gz YXLXCKAIUIPODZ-UHFFFAOYSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573377120 947845721 /nfs/dbraw/zinc/84/57/21/947845721.db2.gz IQMXGWDFDBZPPO-CHWSQXEVSA-N 1 0 376.436 1.748 20 0 GDADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C(C)(C)C ZINC001573640034 947850171 /nfs/dbraw/zinc/85/01/71/947850171.db2.gz FBZSDXISPGOFOK-ZBFHGGJFSA-N 1 0 386.500 1.866 20 0 GDADRO C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C(C)(C)C ZINC001573644067 947867062 /nfs/dbraw/zinc/86/70/62/947867062.db2.gz XTFJOHBFTNCDCT-CHWSQXEVSA-N 1 0 392.529 1.927 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H](C)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573381343 947872724 /nfs/dbraw/zinc/87/27/24/947872724.db2.gz TXDCESHFTQAJPN-LBPRGKRZSA-N 1 0 376.436 1.702 20 0 GDADRO Cc1onc(CC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826343039 947986190 /nfs/dbraw/zinc/98/61/90/947986190.db2.gz JTIROFPWDBTMEC-UHFFFAOYSA-N 1 0 395.467 1.829 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573670343 948101513 /nfs/dbraw/zinc/10/15/13/948101513.db2.gz AYVKKARVASQFHA-RDTXWAMCSA-N 1 0 377.452 1.756 20 0 GDADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCOc2ccccc2-c2nn[nH]n2)cn1 ZINC000826359744 948118418 /nfs/dbraw/zinc/11/84/18/948118418.db2.gz PGSHNRQHDAVKNX-NVXWUHKLSA-N 1 0 383.456 1.567 20 0 GDADRO Cn1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360685 948124592 /nfs/dbraw/zinc/12/45/92/948124592.db2.gz UHUVDHMYWQNAHU-KRWDZBQOSA-N 1 0 392.467 1.510 20 0 GDADRO Cn1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360871 948125812 /nfs/dbraw/zinc/12/58/12/948125812.db2.gz BJMFCZAFTCPFGR-GOSISDBHSA-N 1 0 378.484 1.937 20 0 GDADRO Cn1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361349 948131895 /nfs/dbraw/zinc/13/18/95/948131895.db2.gz UDRVOZSXHMRTQN-IAGOWNOFSA-N 1 0 397.508 1.974 20 0 GDADRO CC(=O)N1C[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C(F)(F)F)C1 ZINC001573426965 948161756 /nfs/dbraw/zinc/16/17/56/948161756.db2.gz RTWBJQLDDWVJOL-OLZOCXBDSA-N 1 0 386.353 1.752 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573690248 948223878 /nfs/dbraw/zinc/22/38/78/948223878.db2.gz BWGRIOWLQDCRKL-RISCZKNCSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCOCC1)C1CC1 ZINC001573691676 948246257 /nfs/dbraw/zinc/24/62/57/948246257.db2.gz HNOJMLDZEFVTRF-CQSZACIVSA-N 1 0 384.484 1.668 20 0 GDADRO CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001573439922 948256584 /nfs/dbraw/zinc/25/65/84/948256584.db2.gz WBUFHBPFYLEFSW-MSOLQXFVSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC1 ZINC001573696518 948328353 /nfs/dbraw/zinc/32/83/53/948328353.db2.gz RRZMWLXXZAHZGB-JLTOFOAXSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573704905 948387153 /nfs/dbraw/zinc/38/71/53/948387153.db2.gz UTZRUSGEAGVUFW-GHMZBOCLSA-N 1 0 383.378 1.793 20 0 GDADRO O[C@H]1CC[N@H+](Cc2ccccc2CNc2nc3ccccn3c2-c2nn[nH]n2)C1 ZINC000826507805 948426062 /nfs/dbraw/zinc/42/60/62/948426062.db2.gz WTROURUNEBQHAQ-INIZCTEOSA-N 1 0 390.451 1.693 20 0 GDADRO C[C@H](C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573706963 948427194 /nfs/dbraw/zinc/42/71/94/948427194.db2.gz LSTJLIZHTVVOLW-AWEZNQCLSA-N 1 0 377.452 1.613 20 0 GDADRO OCC[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000826509438 948428030 /nfs/dbraw/zinc/42/80/30/948428030.db2.gz VXOMEPJPSGPOOC-AEFFLSMTSA-N 1 0 375.473 1.527 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573708976 948463442 /nfs/dbraw/zinc/46/34/42/948463442.db2.gz YNESHIGUNFLSFR-NVXWUHKLSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573714108 948469245 /nfs/dbraw/zinc/46/92/45/948469245.db2.gz DRSGQILCQKVZET-GJZGRUSLSA-N 1 0 392.467 1.793 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)c1ccco1 ZINC001573728922 948564285 /nfs/dbraw/zinc/56/42/85/948564285.db2.gz RHCMXWAOLMDHLK-MGPQQGTHSA-N 1 0 381.440 1.847 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C)n1cccn1 ZINC001573740521 948636037 /nfs/dbraw/zinc/63/60/37/948636037.db2.gz KPUBXOSZXXKMSO-MBNYWOFBSA-N 1 0 386.485 1.322 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@@H]1CCCO1 ZINC001573752020 948710789 /nfs/dbraw/zinc/71/07/89/948710789.db2.gz JZWUXWQSKCNGRV-CYHLAULCSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](CNC(=O)CCc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574914819 948755740 /nfs/dbraw/zinc/75/57/40/948755740.db2.gz NMOJYHUDTRIQCG-ZDUSSCGKSA-N 1 0 383.431 1.628 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001573755298 948760160 /nfs/dbraw/zinc/76/01/60/948760160.db2.gz OIUIOCCYVYXNMI-YUSALJHKSA-N 1 0 376.486 1.589 20 0 GDADRO CC(F)(F)CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001575223830 948770541 /nfs/dbraw/zinc/77/05/41/948770541.db2.gz GGYBYRTUKWOQDC-LSDHHAIUSA-N 1 0 376.411 1.945 20 0 GDADRO CC(C)c1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1 ZINC001574418128 948772546 /nfs/dbraw/zinc/77/25/46/948772546.db2.gz RTJVHWKIBZXZJP-MRXNPFEDSA-N 1 0 383.456 1.199 20 0 GDADRO CC(C)c1ccccc1C[NH2+]C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574419628 948787360 /nfs/dbraw/zinc/78/73/60/948787360.db2.gz HKBPMCUKTCJUDT-HNNXBMFYSA-N 1 0 383.456 1.199 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCC1 ZINC001573763111 948863767 /nfs/dbraw/zinc/86/37/67/948863767.db2.gz BAUQXUZUDPJNGU-AWEZNQCLSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001574684279 948865420 /nfs/dbraw/zinc/86/54/20/948865420.db2.gz CVKPWDZMNDHTFM-LBPRGKRZSA-N 1 0 390.467 1.582 20 0 GDADRO C[C@@H](CNC(=O)CCCn1cccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574919422 948875883 /nfs/dbraw/zinc/87/58/83/948875883.db2.gz YZVACUYPOKCLDT-ZDUSSCGKSA-N 1 0 386.435 1.277 20 0 GDADRO C[C@H](CNC(=O)CCc1ncccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574921511 948928565 /nfs/dbraw/zinc/92/85/65/948928565.db2.gz ZAKRTVPNSBQCEI-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)c1ncncc1C(=O)NCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574432485 948935145 /nfs/dbraw/zinc/93/51/45/948935145.db2.gz KTVGDMBCWTVVKQ-UHFFFAOYSA-N 1 0 380.456 1.642 20 0 GDADRO C[C@@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574923390 948944774 /nfs/dbraw/zinc/94/47/74/948944774.db2.gz LGUPBNFJXWNYBF-NSHDSACASA-N 1 0 389.851 1.143 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433098 948945006 /nfs/dbraw/zinc/94/50/06/948945006.db2.gz GPGQGEBTHNQIPN-GFCCVEGCSA-N 1 0 383.460 1.113 20 0 GDADRO CC(C)[C@H](C(=O)N[C@H](C)CCNc1ncccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574687724 948952990 /nfs/dbraw/zinc/95/29/90/948952990.db2.gz QYYYBVFSJBHVEC-GDBMZVCRSA-N 1 0 386.504 1.689 20 0 GDADRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC001574089616 948962750 /nfs/dbraw/zinc/96/27/50/948962750.db2.gz GBDGEUNKFLTJGS-ROUUACIJSA-N 1 0 383.500 2.000 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001574688780 948970379 /nfs/dbraw/zinc/97/03/79/948970379.db2.gz ZCLFTLVBUNTNEO-LBPRGKRZSA-N 1 0 392.483 1.685 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCCO1 ZINC001573773742 948994239 /nfs/dbraw/zinc/99/42/39/948994239.db2.gz GOQWUIUALLSZBP-HNNXBMFYSA-N 1 0 385.472 1.340 20 0 GDADRO CC(C)c1nnsc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574439125 949001452 /nfs/dbraw/zinc/00/14/52/949001452.db2.gz ABOGQUVHNMLGRU-SECBINFHSA-N 1 0 392.514 1.811 20 0 GDADRO CC(C)(C(=O)NCC1CC(Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCC1 ZINC001573779645 949066141 /nfs/dbraw/zinc/06/61/41/949066141.db2.gz LDOQNWSUVBMYHO-UHFFFAOYSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)c1cnc[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574695047 949099656 /nfs/dbraw/zinc/09/96/56/949099656.db2.gz YYYWGIULUFDKFS-LLVKDONJSA-N 1 0 388.501 1.566 20 0 GDADRO CC(C)c1nocc1C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574443270 949109683 /nfs/dbraw/zinc/10/96/83/949109683.db2.gz WUIPPGXRWGNAEE-UHFFFAOYSA-N 1 0 382.428 1.416 20 0 GDADRO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575510957 949123614 /nfs/dbraw/zinc/12/36/14/949123614.db2.gz INNHDDUXIXJXJC-GUYCJALGSA-N 1 0 383.456 1.021 20 0 GDADRO C[C@H](CNC(=O)COCC1CCCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574932005 949124072 /nfs/dbraw/zinc/12/40/72/949124072.db2.gz STXCWKYCWYCFCD-CYBMUJFWSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](c1ccccc1)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514180 949162103 /nfs/dbraw/zinc/16/21/03/949162103.db2.gz BKMVUHQSIDTTNL-CJNGLKHVSA-N 1 0 381.440 1.387 20 0 GDADRO C[C@H](CNC(=O)COc1ccsc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574934516 949163372 /nfs/dbraw/zinc/16/33/72/949163372.db2.gz JXUBEBRDPUAEPP-LLVKDONJSA-N 1 0 390.444 1.741 20 0 GDADRO C[C@H](c1cnccn1)[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575514484 949168087 /nfs/dbraw/zinc/16/80/87/949168087.db2.gz CFYBCBDMBPKIMY-CHWSQXEVSA-N 1 0 381.444 1.140 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573787558 949183604 /nfs/dbraw/zinc/18/36/04/949183604.db2.gz WIOBRQKVSPTRLH-BETUJISGSA-N 1 0 387.463 1.939 20 0 GDADRO CC(C)c1oncc1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574448885 949192449 /nfs/dbraw/zinc/19/24/49/949192449.db2.gz OGMCMUHPAFRDDX-UHFFFAOYSA-N 1 0 382.428 1.772 20 0 GDADRO C[C@H](CNC(=O)Cc1c(F)cccc1F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574935327 949196897 /nfs/dbraw/zinc/19/68/97/949196897.db2.gz AIQWCNBXMNUZTE-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001575254372 949201884 /nfs/dbraw/zinc/20/18/84/949201884.db2.gz VSSULFJEMJMOHJ-UONOGXRCSA-N 1 0 380.456 1.261 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574698644 949202818 /nfs/dbraw/zinc/20/28/18/949202818.db2.gz NKJCHLOTJVIHGY-KGLIPLIRSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](c1cnccn1)[N@@H+]1CC[C@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575516636 949210628 /nfs/dbraw/zinc/21/06/28/949210628.db2.gz QNDZGLYJLYMWCY-OLZOCXBDSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574937251 949226789 /nfs/dbraw/zinc/22/67/89/949226789.db2.gz NNEZEVRBCLAEHW-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@H](CNC(=O)Cc1cc(F)ccc1F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574937343 949226901 /nfs/dbraw/zinc/22/69/01/949226901.db2.gz OOWOBDMWSWIVST-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574699109 949227485 /nfs/dbraw/zinc/22/74/85/949227485.db2.gz SRSSFBFUPDXASH-KBPBESRZSA-N 1 0 382.472 1.405 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574700326 949261070 /nfs/dbraw/zinc/26/10/70/949261070.db2.gz ZOUPMMHKNVDSSU-UONOGXRCSA-N 1 0 382.472 1.340 20 0 GDADRO CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001573792813 949269902 /nfs/dbraw/zinc/26/99/02/949269902.db2.gz DVXRBXZSFHMOFV-KKSFZXQISA-N 1 0 396.495 1.953 20 0 GDADRO C[C@@]1(c2cccc(C[NH2+]Cc3csc(-c4nn[nH]n4)c3)c2)NC(=O)NC1=O ZINC001575857836 949278049 /nfs/dbraw/zinc/27/80/49/949278049.db2.gz WQJFEPKQJGZMIT-KRWDZBQOSA-N 1 0 383.437 1.273 20 0 GDADRO CC(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574107399 949281267 /nfs/dbraw/zinc/28/12/67/949281267.db2.gz IYINFNSGDZVWSS-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574703013 949303974 /nfs/dbraw/zinc/30/39/74/949303974.db2.gz OWSQPJUXNKBSOU-LLVKDONJSA-N 1 0 376.440 1.144 20 0 GDADRO CC(C)n1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)cn1 ZINC001574455395 949304188 /nfs/dbraw/zinc/30/41/88/949304188.db2.gz PZROBNXKIWAWTK-PIIMJCKOSA-N 1 0 392.467 1.504 20 0 GDADRO CC(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573795999 949331829 /nfs/dbraw/zinc/33/18/29/949331829.db2.gz PJNJZAMMJVVNEV-HNNXBMFYSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C2CC2)n1 ZINC001574460663 949375592 /nfs/dbraw/zinc/37/55/92/949375592.db2.gz WDMYMWUAELTDIY-INIZCTEOSA-N 1 0 383.460 1.270 20 0 GDADRO CC1(C)CN(C(=O)[C@]2(C)CCOC2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575527830 949382240 /nfs/dbraw/zinc/38/22/40/949382240.db2.gz HZQYIXNPUVOTQY-OXQOHEQNSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574704842 949409499 /nfs/dbraw/zinc/40/94/99/949409499.db2.gz FFTLUFZDASFPNP-HIFRSBDPSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575264184 949420507 /nfs/dbraw/zinc/42/05/07/949420507.db2.gz MJUKANULLIMPPW-WDEREUQCSA-N 1 0 376.440 1.048 20 0 GDADRO CC(C)n1cnc(C(=O)NCC[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)c1 ZINC001574464680 949421563 /nfs/dbraw/zinc/42/15/63/949421563.db2.gz QZDZILXKJGPKCX-UHFFFAOYSA-N 1 0 386.435 1.645 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575534196 949424691 /nfs/dbraw/zinc/42/46/91/949424691.db2.gz KXLKLSLTLGRICA-KUHUBIRLSA-N 1 0 385.472 1.151 20 0 GDADRO CC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1 ZINC001573803302 949437944 /nfs/dbraw/zinc/43/79/44/949437944.db2.gz QGRFHNLUIHHEMX-OAHLLOKOSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)c1Cl ZINC001574468046 949454500 /nfs/dbraw/zinc/45/45/00/949454500.db2.gz GBMNQIKGGUFUHU-SNVBAGLBSA-N 1 0 389.851 1.345 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574468071 949455743 /nfs/dbraw/zinc/45/57/43/949455743.db2.gz HHHGKUKROBKMEK-UHFFFAOYSA-N 1 0 383.460 1.638 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574708035 949485872 /nfs/dbraw/zinc/48/58/72/949485872.db2.gz SDRAQHSVNYNMIL-OLZOCXBDSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574469852 949486449 /nfs/dbraw/zinc/48/64/49/949486449.db2.gz IRAPJVQFEBLESW-INIZCTEOSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)n1nccc1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001574469891 949486947 /nfs/dbraw/zinc/48/69/47/949486947.db2.gz JFEYVPCRJPJJHV-UHFFFAOYSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@@H](NC(=O)CC1CCOCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575267216 949498023 /nfs/dbraw/zinc/49/80/23/949498023.db2.gz HEPLDKZJINVLLV-GFCCVEGCSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](NC(=O)CCC(F)F)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575268186 949512505 /nfs/dbraw/zinc/51/25/05/949512505.db2.gz LVSZBFLNNKJKPO-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOC1 ZINC001575538337 949519188 /nfs/dbraw/zinc/51/91/88/949519188.db2.gz FMFLCRHKNWCFRW-DNVCBOLYSA-N 1 0 388.447 1.513 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574470909 949522216 /nfs/dbraw/zinc/52/22/16/949522216.db2.gz YCNGUXAQWBPTGI-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575538854 949533098 /nfs/dbraw/zinc/53/30/98/949533098.db2.gz JYICQIQGZFYAII-BEFAXECRSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576164516 949556187 /nfs/dbraw/zinc/55/61/87/949556187.db2.gz GVLXPKWWPXNMGE-YOEHRIQHSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711917 949565283 /nfs/dbraw/zinc/56/52/83/949565283.db2.gz NZNCMLHVRXTBEK-ABAIWWIYSA-N 1 0 381.415 1.421 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711919 949566817 /nfs/dbraw/zinc/56/68/17/949566817.db2.gz NZNCMLHVRXTBEK-NHYWBVRUSA-N 1 0 381.415 1.421 20 0 GDADRO C[C@H](NC(=O)C[C@H]1CCCCO1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575269920 949566854 /nfs/dbraw/zinc/56/68/54/949566854.db2.gz XHWBZTJNEGDEKR-WMLDXEAASA-N 1 0 384.484 1.762 20 0 GDADRO CC1(C(=O)N2CCC[C@@](CO)([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001575540599 949574039 /nfs/dbraw/zinc/57/40/39/949574039.db2.gz XYJAJESXNPXCRU-LJQANCHMSA-N 1 0 388.447 1.249 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573810789 949577517 /nfs/dbraw/zinc/57/75/17/949577517.db2.gz CUYZYSYXYWXAAA-VVLHAWIVSA-N 1 0 384.484 1.380 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574712474 949580219 /nfs/dbraw/zinc/58/02/19/949580219.db2.gz SRJVUCYCNNADOK-GXTWGEPZSA-N 1 0 378.440 1.067 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cc[nH]n1 ZINC001573810860 949582141 /nfs/dbraw/zinc/58/21/41/949582141.db2.gz FCVMNZKOFPICEF-INIZCTEOSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575873645 949587863 /nfs/dbraw/zinc/58/78/63/949587863.db2.gz BGUBHORDWUPBEA-KXBFYZLASA-N 1 0 391.479 1.974 20 0 GDADRO CC(C)C[C@H](C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)n1ccnc1 ZINC001574125496 949591914 /nfs/dbraw/zinc/59/19/14/949591914.db2.gz QVGIQLCLUFHMDD-MRXNPFEDSA-N 1 0 383.460 1.038 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cnns1 ZINC001573811089 949592402 /nfs/dbraw/zinc/59/24/02/949592402.db2.gz HOOYUQHXNHCXDD-AWEZNQCLSA-N 1 0 386.485 1.653 20 0 GDADRO CC1(C(=O)N2CCCO[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCC1 ZINC001575545166 949596319 /nfs/dbraw/zinc/59/63/19/949596319.db2.gz ISLWKOAYCPKYCW-MRXNPFEDSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCOC1 ZINC001573811594 949604588 /nfs/dbraw/zinc/60/45/88/949604588.db2.gz MHFZHCNNOOVTKH-BXUZGUMPSA-N 1 0 378.502 1.585 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CC1(O)CCC1 ZINC001573811834 949609251 /nfs/dbraw/zinc/60/92/51/949609251.db2.gz OAGVVYVLMZVTQC-MRXNPFEDSA-N 1 0 386.500 1.792 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCCO1 ZINC001573812543 949617542 /nfs/dbraw/zinc/61/75/42/949617542.db2.gz SJZIBQUNULXOPT-CVEARBPZSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574714100 949623163 /nfs/dbraw/zinc/62/31/63/949623163.db2.gz CBHJZHMNMFWZPD-STQMWFEESA-N 1 0 378.502 1.824 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574714099 949624167 /nfs/dbraw/zinc/62/41/67/949624167.db2.gz CBHJZHMNMFWZPD-QWHCGFSZSA-N 1 0 378.502 1.824 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ncccn1 ZINC001573812845 949625969 /nfs/dbraw/zinc/62/59/69/949625969.db2.gz VLZFMWNQGMJKFN-OAHLLOKOSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574714569 949633439 /nfs/dbraw/zinc/63/34/39/949633439.db2.gz FNOJRQBRYLHKAQ-GXTWGEPZSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](NC(=O)CCCC[NH+]1CCCC1)[C@@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575272298 949636872 /nfs/dbraw/zinc/63/68/72/949636872.db2.gz OPNSQCRNZWWTRL-HUUCEWRRSA-N 1 0 386.504 1.833 20 0 GDADRO CC1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCC1 ZINC001575547841 949644396 /nfs/dbraw/zinc/64/43/96/949644396.db2.gz GQPGXUZCWYUGRW-AWEZNQCLSA-N 1 0 388.447 1.513 20 0 GDADRO CC1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCC1 ZINC001575548412 949672580 /nfs/dbraw/zinc/67/25/80/949672580.db2.gz ZWHKYJTVMZRBAC-AWEZNQCLSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574716103 949678347 /nfs/dbraw/zinc/67/83/47/949678347.db2.gz MJWHQPFEYOOWTB-CJNGLKHVSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574716060 949679306 /nfs/dbraw/zinc/67/93/06/949679306.db2.gz IAANNJVMBZPDEH-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CN(C)C(=O)CC1(O)CCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716419 949693213 /nfs/dbraw/zinc/69/32/13/949693213.db2.gz OIBDLPUCPQUIDX-LBPRGKRZSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574959791 949721237 /nfs/dbraw/zinc/72/12/37/949721237.db2.gz UERXVHCMARAOOO-BYCMXARLSA-N 1 0 383.481 1.721 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cc2ccon2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575881754 949733299 /nfs/dbraw/zinc/73/32/99/949733299.db2.gz AKMVAAKWIZYUHU-GUYCJALGSA-N 1 0 381.440 1.567 20 0 GDADRO C[C@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576171007 949741870 /nfs/dbraw/zinc/74/18/70/949741870.db2.gz OMPKMCSVEZRCBU-SUMWQHHRSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576171008 949744168 /nfs/dbraw/zinc/74/41/68/949744168.db2.gz ONZIRWYTOCSALS-GDBMZVCRSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H](NC(=O)CCc1cncnc1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277515 949752218 /nfs/dbraw/zinc/75/22/18/949752218.db2.gz QPDUGYPAELKWCL-AWEZNQCLSA-N 1 0 392.467 1.226 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574718019 949759132 /nfs/dbraw/zinc/75/91/32/949759132.db2.gz REIVXFQNVWWZOP-STQMWFEESA-N 1 0 378.502 1.824 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@]1(C)CCOC1 ZINC001575559960 949773925 /nfs/dbraw/zinc/77/39/25/949773925.db2.gz ZUCGIZNTXONVAQ-OXJNMPFZSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@]1(C(=O)NC2CC(C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575560575 949791603 /nfs/dbraw/zinc/79/16/03/949791603.db2.gz SETMQKJWFSASMK-JBAZFKOSSA-N 1 0 388.447 1.417 20 0 GDADRO CC(C)C[C@H](C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)CO2 ZINC001574138497 949795282 /nfs/dbraw/zinc/79/52/82/949795282.db2.gz FBQHQEYQODVLJT-ZFWWWQNUSA-N 1 0 387.488 1.450 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C[NH2+]Cc1ccns1 ZINC001576172348 949801323 /nfs/dbraw/zinc/80/13/23/949801323.db2.gz WKRFUSBJUDIZFQ-IAQYHMDHSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1nccnc1-c1nn[nH]n1 ZINC001574721078 949810069 /nfs/dbraw/zinc/81/00/69/949810069.db2.gz IYBJPSRNSHUQAO-AWEZNQCLSA-N 1 0 387.492 1.182 20 0 GDADRO C[C@@H](CNC(=O)c1c(Cl)cnn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574965719 949813474 /nfs/dbraw/zinc/81/34/74/949813474.db2.gz KDVKSJXXEYQEJR-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575281747 949819798 /nfs/dbraw/zinc/81/97/98/949819798.db2.gz AOWPSWZGRTUMNP-RKDXNWHRSA-N 1 0 386.913 1.622 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ccccc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574722520 949837269 /nfs/dbraw/zinc/83/72/69/949837269.db2.gz UCTWWGULZMRTHG-ZDUSSCGKSA-N 1 0 383.431 1.714 20 0 GDADRO C[C@@H](CNC(=O)c1c(Cl)cnn1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574966266 949838284 /nfs/dbraw/zinc/83/82/84/949838284.db2.gz VUBFRURFGWKNKR-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ncccn2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576177845 949859542 /nfs/dbraw/zinc/85/95/42/949859542.db2.gz CGGVLTCQPHXSHE-RHSMWYFYSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)Cc1c(F)cccc1F ZINC001575283149 949862335 /nfs/dbraw/zinc/86/23/35/949862335.db2.gz NVDRFSVEWURHOS-MNOVXSKESA-N 1 0 387.394 1.510 20 0 GDADRO C[C@]1(C(=O)NC2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001575565781 949886564 /nfs/dbraw/zinc/88/65/64/949886564.db2.gz YFZHOGOVOYKZSY-UHYCVJNDSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](CN(C)C(=O)CCn1cccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574725218 949893333 /nfs/dbraw/zinc/89/33/33/949893333.db2.gz PVIKOMPXKWGAFO-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575284211 949898374 /nfs/dbraw/zinc/89/83/74/949898374.db2.gz IEOLDIBYOHSQEC-MNOVXSKESA-N 1 0 380.884 1.560 20 0 GDADRO C[C@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574725898 949912649 /nfs/dbraw/zinc/91/26/49/949912649.db2.gz VNXUWFLTTOIECI-CQSZACIVSA-N 1 0 380.456 1.079 20 0 GDADRO C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)CCOC1 ZINC001575569690 949924307 /nfs/dbraw/zinc/92/43/07/949924307.db2.gz NDJOMORJOWVVRQ-IBGZPJMESA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001576179580 949925299 /nfs/dbraw/zinc/92/52/99/949925299.db2.gz AXMPHNBEDMSOMA-JSGCOSHPSA-N 1 0 390.467 1.249 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC001574973462 949951611 /nfs/dbraw/zinc/95/16/11/949951611.db2.gz GZSYNPOUIWGXDZ-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575285624 949954284 /nfs/dbraw/zinc/95/42/84/949954284.db2.gz PGXLJXBSYSPXHV-RKDXNWHRSA-N 1 0 384.897 1.378 20 0 GDADRO C[C@H](NC(=O)CCn1cccn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575285989 949967100 /nfs/dbraw/zinc/96/71/00/949967100.db2.gz SBSSLDRLEASLJA-AWEZNQCLSA-N 1 0 380.456 1.090 20 0 GDADRO C[C@H](CN(C)C(=O)COc1cccnc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574727507 949971400 /nfs/dbraw/zinc/97/14/00/949971400.db2.gz UQORZMVKAQHBTQ-CQSZACIVSA-N 1 0 381.440 1.277 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574728476 949991839 /nfs/dbraw/zinc/99/18/39/949991839.db2.gz BDUUGIWDKNNMNT-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO CC(C)(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573831330 949992156 /nfs/dbraw/zinc/99/21/56/949992156.db2.gz VCNBACQONQCHOI-HXUWFJFHSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576181277 949996267 /nfs/dbraw/zinc/99/62/67/949996267.db2.gz LLGXVNJQJNGPMA-DYVFJYSZSA-N 1 0 381.440 1.885 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574728577 949997105 /nfs/dbraw/zinc/99/71/05/949997105.db2.gz DKTCAYAGVILQRG-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO CC1(C)C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575573989 950008141 /nfs/dbraw/zinc/00/81/41/950008141.db2.gz QRZHKIPYPOMSCO-OXQOHEQNSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCCOC1 ZINC001574150622 950038741 /nfs/dbraw/zinc/03/87/41/950038741.db2.gz CNVHRXJBAQPIAS-ZWKOTPCHSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)C[C@H](C[NH2+]CC1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151025 950051316 /nfs/dbraw/zinc/05/13/16/950051316.db2.gz JTVMUSNKWPRVKG-CQSZACIVSA-N 1 0 375.477 1.356 20 0 GDADRO CC(C)C[C@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151120 950055991 /nfs/dbraw/zinc/05/59/91/950055991.db2.gz LKIPPGKYFFQBSL-DZGCQCFKSA-N 1 0 375.477 1.356 20 0 GDADRO C[C@@]1(C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CCC2)CCCOC1 ZINC001575576478 950072699 /nfs/dbraw/zinc/07/26/99/950072699.db2.gz PWDLMXHHVNBFHM-LJQANCHMSA-N 1 0 384.484 1.812 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151870 950098918 /nfs/dbraw/zinc/09/89/18/950098918.db2.gz ZXLHGOSWCRSBCG-KBPBESRZSA-N 1 0 375.477 1.498 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cccnn1 ZINC001574152505 950109593 /nfs/dbraw/zinc/10/95/93/950109593.db2.gz DWNHNYSNTYPXEB-HNNXBMFYSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ncccn1 ZINC001574152567 950113254 /nfs/dbraw/zinc/11/32/54/950113254.db2.gz GJDUOPJMHMXOBW-HNNXBMFYSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cc[nH]n1 ZINC001574153152 950132162 /nfs/dbraw/zinc/13/21/62/950132162.db2.gz OJHXUSJCLLPVNN-INIZCTEOSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574734417 950132654 /nfs/dbraw/zinc/13/26/54/950132654.db2.gz MBELPQBDUMSROZ-OXHZDVMGSA-N 1 0 376.486 1.432 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2ccnnc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575897626 950138939 /nfs/dbraw/zinc/13/89/39/950138939.db2.gz PILKUZANSIJMHJ-SUMWQHHRSA-N 1 0 378.440 1.440 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cncn1C ZINC001574153356 950142817 /nfs/dbraw/zinc/14/28/17/950142817.db2.gz SLTFAIIEVAHKLY-HNNXBMFYSA-N 1 0 382.472 1.535 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2cnccn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575897699 950146036 /nfs/dbraw/zinc/14/60/36/950146036.db2.gz QFVIVSUMSAYYSM-BBRMVZONSA-N 1 0 378.440 1.440 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cnoc1 ZINC001574153678 950150236 /nfs/dbraw/zinc/15/02/36/950150236.db2.gz VVHGGTGRCULJKX-KRWDZBQOSA-N 1 0 383.456 1.718 20 0 GDADRO CC1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC001575584102 950161038 /nfs/dbraw/zinc/16/10/38/950161038.db2.gz PKQDOPVUEGGFAD-QGZVFWFLSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)CCOC1 ZINC001575584231 950165141 /nfs/dbraw/zinc/16/51/41/950165141.db2.gz XBMYOSSAGOFHLJ-PDOICOKGSA-N 1 0 382.468 1.087 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574982563 950172426 /nfs/dbraw/zinc/17/24/26/950172426.db2.gz DJPLBJURDZYWDQ-LLVKDONJSA-N 1 0 383.460 1.537 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)COC(C)(C)C ZINC001575900093 950189684 /nfs/dbraw/zinc/18/96/84/950189684.db2.gz BXOLEAFRQNOWLD-MLGOLLRUSA-N 1 0 390.463 1.900 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1cnc[nH]1 ZINC001575900241 950190900 /nfs/dbraw/zinc/19/09/00/950190900.db2.gz COZVMALXYIDPNS-MEDUHNTESA-N 1 0 384.419 1.051 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CCCOC1 ZINC001575585416 950194813 /nfs/dbraw/zinc/19/48/13/950194813.db2.gz YQFRKWLXXMKWKR-PXNSSMCTSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573844645 950201416 /nfs/dbraw/zinc/20/14/16/950201416.db2.gz LCRKGUIXMPSPRN-SFHVURJKSA-N 1 0 375.477 1.188 20 0 GDADRO C[C@H]1CCN(C(=O)c2ncccn2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576191670 950205454 /nfs/dbraw/zinc/20/54/54/950205454.db2.gz HRXGOPVFRLXBPS-WMLDXEAASA-N 1 0 392.467 1.545 20 0 GDADRO C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C[NH2+]Cc1cccnc1 ZINC001576191851 950214012 /nfs/dbraw/zinc/21/40/12/950214012.db2.gz KJPGEWRXHTXHTB-XJKSGUPXSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575901182 950224624 /nfs/dbraw/zinc/22/46/24/950224624.db2.gz LYQIYSRMBYYBEY-BMIGLBTASA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1csnn1 ZINC001575901439 950227950 /nfs/dbraw/zinc/22/79/50/950227950.db2.gz NNUBYEPFBNCGEM-RNCFNFMXSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC001574497623 950233617 /nfs/dbraw/zinc/23/36/17/950233617.db2.gz ACUAVIYOCDFCGF-CZUORRHYSA-N 1 0 384.440 1.220 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cncc(F)c1 ZINC001574157532 950241870 /nfs/dbraw/zinc/24/18/70/950241870.db2.gz CJFGDQGUCNDHLN-CQSZACIVSA-N 1 0 384.419 1.474 20 0 GDADRO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573846044 950246930 /nfs/dbraw/zinc/24/69/30/950246930.db2.gz NIENOKVPOQQGNC-YQQAZPJKSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@H]1CCN(C(=O)c2cocn2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576192637 950256457 /nfs/dbraw/zinc/25/64/57/950256457.db2.gz OFZGYBHYYXFMCU-ZFWWWQNUSA-N 1 0 381.440 1.743 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]c2ccccc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574742055 950264739 /nfs/dbraw/zinc/26/47/39/950264739.db2.gz GXPDMPKKRVUWGF-LBPRGKRZSA-N 1 0 376.424 1.738 20 0 GDADRO C[C@H]1[C@H]([NH2+]CCc2ccccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575902649 950265840 /nfs/dbraw/zinc/26/58/40/950265840.db2.gz WHKKEPXXDSASFA-BLLLJJGKSA-N 1 0 383.431 1.769 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCCO1 ZINC001574158012 950269839 /nfs/dbraw/zinc/26/98/39/950269839.db2.gz MWSUJYUUCSIIMZ-LSDHHAIUSA-N 1 0 387.488 1.586 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1ccoc1 ZINC001575904651 950283869 /nfs/dbraw/zinc/28/38/69/950283869.db2.gz AAFITILWQGGTEE-SJCJKPOMSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H]1CCN(C(=O)c2cnco2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576193131 950286388 /nfs/dbraw/zinc/28/63/88/950286388.db2.gz SBUOLFDQTGJSER-ZFWWWQNUSA-N 1 0 381.440 1.743 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001574499124 950295831 /nfs/dbraw/zinc/29/58/31/950295831.db2.gz SEFCNCLBAMBDKI-RISCZKNCSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@]1(C(=O)NCCN(Cc2cc(-c3nn[nH]n3)ccc2F)C2CC2)CCOC1 ZINC001575593238 950306178 /nfs/dbraw/zinc/30/61/78/950306178.db2.gz MYQOJGMBRYLPKV-IBGZPJMESA-N 1 0 388.447 1.513 20 0 GDADRO CC(C)C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[N@H+](C)C(C)C ZINC001574159379 950306709 /nfs/dbraw/zinc/30/67/09/950306709.db2.gz GOWULWJJOAADCS-AWEZNQCLSA-N 1 0 392.483 1.684 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc[nH]n2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576194256 950330540 /nfs/dbraw/zinc/33/05/40/950330540.db2.gz YLDDPTRHGLUPER-BBRMVZONSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575907344 950331803 /nfs/dbraw/zinc/33/18/03/950331803.db2.gz NJTWWVRKAMJLLP-BMIGLBTASA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H](CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCCO1 ZINC001574501516 950336036 /nfs/dbraw/zinc/33/60/36/950336036.db2.gz FFIYPDDSNIOPJQ-KDOFPFPSSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)C[C@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574160925 950348622 /nfs/dbraw/zinc/34/86/22/950348622.db2.gz RCEWZQQXFMBXFB-CYBMUJFWSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CC1CCOCC1 ZINC001575908269 950358754 /nfs/dbraw/zinc/35/87/54/950358754.db2.gz TYJKUANTZOFHSC-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(F)ccc1F ZINC001574745285 950375367 /nfs/dbraw/zinc/37/53/67/950375367.db2.gz HTHBNGHGWOSWLY-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ncccc1F ZINC001575908762 950377307 /nfs/dbraw/zinc/37/73/07/950377307.db2.gz DULTUKKJMXFCOT-LRDDRELGSA-N 1 0 381.415 1.794 20 0 GDADRO CC(C)C[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001574162140 950380183 /nfs/dbraw/zinc/38/01/83/950380183.db2.gz ZSTMFVLIQJNPHP-HNNXBMFYSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1n[nH]cc1F ZINC001575908912 950382019 /nfs/dbraw/zinc/38/20/19/950382019.db2.gz XBOJQDRTWNQTEZ-LKFCYVNXSA-N 1 0 388.382 1.261 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C)n1 ZINC001575909067 950386448 /nfs/dbraw/zinc/38/64/48/950386448.db2.gz FODOMCKEAYXNDK-OCCSQVGLSA-N 1 0 383.460 1.365 20 0 GDADRO C[C@H](CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001574502684 950391983 /nfs/dbraw/zinc/39/19/83/950391983.db2.gz PUYOOLLCYVQRRJ-OAHLLOKOSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001574746787 950400498 /nfs/dbraw/zinc/40/04/98/950400498.db2.gz PHQMYAGSOOQPKR-LLVKDONJSA-N 1 0 389.410 1.766 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC(Nc3cccc(F)c3-c3nn[nH]n3)CC2)C1 ZINC001576197502 950400770 /nfs/dbraw/zinc/40/07/70/950400770.db2.gz PAUXKVFHTINAIQ-CYBMUJFWSA-N 1 0 387.463 1.751 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575910069 950414636 /nfs/dbraw/zinc/41/46/36/950414636.db2.gz JIWASKUFHNMOOG-SWLSCSKDSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H](CC(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCCO1 ZINC001574503696 950418271 /nfs/dbraw/zinc/41/82/71/950418271.db2.gz YTOAIVGAFTXQCW-DYVFJYSZSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC2CCC(Nc3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001576202859 950434797 /nfs/dbraw/zinc/43/47/97/950434797.db2.gz DEPKHHSLVJIOEF-WLYUNCDWSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576202877 950438212 /nfs/dbraw/zinc/43/82/12/950438212.db2.gz DNTTUZBGSWQQGL-KGLIPLIRSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574507397 950453891 /nfs/dbraw/zinc/45/38/91/950453891.db2.gz IFTCLGTWZDEDCU-VWPFQQQWSA-N 1 0 385.472 1.196 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001576204581 950467870 /nfs/dbraw/zinc/46/78/70/950467870.db2.gz QJHGEOFOCOCIGZ-CABCVRRESA-N 1 0 384.488 1.079 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)COCC(F)F ZINC001575912922 950472446 /nfs/dbraw/zinc/47/24/46/950472446.db2.gz RQDQDOHQWSCLKE-SMDDNHRTSA-N 1 0 380.399 1.227 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001575913616 950481611 /nfs/dbraw/zinc/48/16/11/950481611.db2.gz SOVMNUAPIBLWGN-GWCFXTLKSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001575913626 950482838 /nfs/dbraw/zinc/48/28/38/950482838.db2.gz SOVMNUAPIBLWGN-ZWNOBZJWSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204969 950487498 /nfs/dbraw/zinc/48/74/98/950487498.db2.gz SYMWLUPIDISANY-CYBMUJFWSA-N 1 0 390.467 1.439 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1ncccn1 ZINC001575913766 950488701 /nfs/dbraw/zinc/48/87/01/950488701.db2.gz TXAMYVHFFYNVGD-PBHICJAKSA-N 1 0 392.467 1.369 20 0 GDADRO CC(C)[C@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001576205067 950494188 /nfs/dbraw/zinc/49/41/88/950494188.db2.gz GIAWYPTVBAIDRZ-KRWDZBQOSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@@H](CN(C)c1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576205094 950495516 /nfs/dbraw/zinc/49/55/16/950495516.db2.gz UANIQAKOWZUJJC-NEPJUHHUSA-N 1 0 392.895 1.198 20 0 GDADRO CC(C)(C)OCC(=O)N1CCCCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573866748 950513403 /nfs/dbraw/zinc/51/34/03/950513403.db2.gz KYFZGRCAOQNPSZ-CQSZACIVSA-N 1 0 387.488 1.682 20 0 GDADRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOCC1 ZINC001575609185 950519563 /nfs/dbraw/zinc/51/95/63/950519563.db2.gz VAUULDHNSAVEFH-HDJSIYSDSA-N 1 0 388.447 1.559 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573867098 950520810 /nfs/dbraw/zinc/52/08/10/950520810.db2.gz PIVVGOKVOUPFEC-HNNXBMFYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)CCCOC1 ZINC001575614392 950529874 /nfs/dbraw/zinc/52/98/74/950529874.db2.gz AOAVJBDSHVEMEL-XLSPSMHOSA-N 1 0 382.468 1.230 20 0 GDADRO C[C@H](CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)n1ccnc1 ZINC001574510017 950540274 /nfs/dbraw/zinc/54/02/74/950540274.db2.gz YHFXWLNWKJCWSH-CYBMUJFWSA-N 1 0 386.435 1.402 20 0 GDADRO CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575615628 950569450 /nfs/dbraw/zinc/56/94/50/950569450.db2.gz DQVSPDQIUZEWOK-LLVKDONJSA-N 1 0 392.529 1.567 20 0 GDADRO C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001576206629 950578992 /nfs/dbraw/zinc/57/89/92/950578992.db2.gz YLFSOMKAYLKQQI-ZDUSSCGKSA-N 1 0 390.467 1.297 20 0 GDADRO CC(C)[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1ncccc1-c1nn[nH]n1 ZINC001576207635 950602440 /nfs/dbraw/zinc/60/24/40/950602440.db2.gz HZSLDERFAFCTRE-GDBMZVCRSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208393 950610107 /nfs/dbraw/zinc/61/01/07/950610107.db2.gz PFUOZAUCEBSUEU-QWRGUYRKSA-N 1 0 378.868 1.174 20 0 GDADRO C[C@@H](CNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576209220 950628857 /nfs/dbraw/zinc/62/88/57/950628857.db2.gz ZBBMWIOGYLKKJV-IUCAKERBSA-N 1 0 384.897 1.235 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573871785 950629126 /nfs/dbraw/zinc/62/91/26/950629126.db2.gz WVWVDJGTFBBBTK-TXEJJXNPSA-N 1 0 378.502 1.728 20 0 GDADRO CC(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001574174480 950633707 /nfs/dbraw/zinc/63/37/07/950633707.db2.gz ISIIOFXTMNQHPN-ZIAGYGMSSA-N 1 0 378.502 1.416 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCc1cccnc1 ZINC001575921350 950636728 /nfs/dbraw/zinc/63/67/28/950636728.db2.gz NNBBVUCFSVCNKW-PBHICJAKSA-N 1 0 392.467 1.503 20 0 GDADRO C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575001889 950644846 /nfs/dbraw/zinc/64/48/46/950644846.db2.gz ODZBWNHXPNZZBN-NSHDSACASA-N 1 0 386.485 1.297 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575002010 950648604 /nfs/dbraw/zinc/64/86/04/950648604.db2.gz YKDRHKPOABXUOI-SECBINFHSA-N 1 0 376.371 1.436 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575002256 950654983 /nfs/dbraw/zinc/65/49/83/950654983.db2.gz QTUCNQDFVJGMAA-NSHDSACASA-N 1 0 383.431 1.731 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001573873701 950657642 /nfs/dbraw/zinc/65/76/42/950657642.db2.gz YVYALQGYSYIQAE-HALDLXJZSA-N 1 0 388.447 1.367 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nn[nH]n4)cn2)C3)C1 ZINC001576215397 950702215 /nfs/dbraw/zinc/70/22/15/950702215.db2.gz UMXGOFCROMCNHH-IIMJZQEZSA-N 1 0 396.499 1.079 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574762519 950710002 /nfs/dbraw/zinc/71/00/02/950710002.db2.gz YPLKMYGWOKSOMC-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575926831 950724567 /nfs/dbraw/zinc/72/45/67/950724567.db2.gz MDGXSRHADFYNRW-ZWNOBZJWSA-N 1 0 386.847 1.391 20 0 GDADRO CC(C)n1cc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)cn1 ZINC001574764020 950742317 /nfs/dbraw/zinc/74/23/17/950742317.db2.gz PAQXAKGPPDPGQO-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO CC(C)OCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574520864 950759025 /nfs/dbraw/zinc/75/90/25/950759025.db2.gz APCQLQPURAMPHJ-CHWSQXEVSA-N 1 0 378.452 1.804 20 0 GDADRO CC(C)CCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574182513 950760008 /nfs/dbraw/zinc/76/00/08/950760008.db2.gz XHZBJQHVAIONST-QGZVFWFLSA-N 1 0 378.502 1.417 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574764952 950764625 /nfs/dbraw/zinc/76/46/25/950764625.db2.gz AMJGXEDPPJUSHN-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1cncs1 ZINC001575928129 950775973 /nfs/dbraw/zinc/77/59/73/950775973.db2.gz YZBNRBAYTWRVEY-BXUZGUMPSA-N 1 0 384.469 1.174 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1(F)CCOCC1 ZINC001574521373 950776948 /nfs/dbraw/zinc/77/69/48/950776948.db2.gz FSBZEUGXEFJJBW-UONOGXRCSA-N 1 0 390.463 1.758 20 0 GDADRO CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574184797 950782376 /nfs/dbraw/zinc/78/23/76/950782376.db2.gz NLWHBRCVADWLBW-AWEZNQCLSA-N 1 0 375.477 1.344 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(F)F)CC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576218344 950784995 /nfs/dbraw/zinc/78/49/95/950784995.db2.gz LLAIBMSJEXNGOL-IINYFYTJSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001575009807 950799330 /nfs/dbraw/zinc/79/93/30/950799330.db2.gz WYLSJNPDSHDLKQ-XHDPSFHLSA-N 1 0 383.431 1.977 20 0 GDADRO CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573885036 950811284 /nfs/dbraw/zinc/81/12/84/950811284.db2.gz MZQDVGYZTKMCTE-PHIMTYICSA-N 1 0 381.444 1.077 20 0 GDADRO C[C@@H](CN(C)C(=O)c1conc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574766207 950815144 /nfs/dbraw/zinc/81/51/44/950815144.db2.gz LYILUPVNBRHLDS-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576221339 950852005 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ZINC001575068244 951631483 /nfs/dbraw/zinc/63/14/83/951631483.db2.gz YPCCFQYDHRQLMG-SECBINFHSA-N 1 0 391.357 1.587 20 0 GDADRO C[C@H](CNC(=O)c1snnc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575069618 951645655 /nfs/dbraw/zinc/64/56/55/951645655.db2.gz LCJFIXDBSVDUTN-SNVBAGLBSA-N 1 0 384.469 1.504 20 0 GDADRO C[C@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077197 951664468 /nfs/dbraw/zinc/66/44/68/951664468.db2.gz AGIXQHJWTYBANS-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@H](C[NH2+]C[C@@H](O)c1ccccc1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575077569 951670813 /nfs/dbraw/zinc/67/08/13/951670813.db2.gz GSCBTBMPAIRUGR-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001575077991 951676025 /nfs/dbraw/zinc/67/60/25/951676025.db2.gz IWFPJPSLRJABRI-BZNIZROVSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@H](CNC(=O)CCc1c[nH]cn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078239 951679271 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C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001575098422 951824416 /nfs/dbraw/zinc/82/44/16/951824416.db2.gz CPKLEWGXVFPDSN-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100071 951841225 /nfs/dbraw/zinc/84/12/25/951841225.db2.gz QOGNJCRAZBHLAZ-RYUDHWBXSA-N 1 0 388.501 1.372 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575101395 951858473 /nfs/dbraw/zinc/85/84/73/951858473.db2.gz CZPNLATYPWUUGG-OXHZDVMGSA-N 1 0 376.486 1.432 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCC1(F)F ZINC001575101744 951863917 /nfs/dbraw/zinc/86/39/17/951863917.db2.gz JEBMKIJJWJYBJB-GWCFXTLKSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101713 951864997 /nfs/dbraw/zinc/86/49/97/951864997.db2.gz IUUGYSFGIQKMRD-JSGCOSHPSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cc(Cl)no1 ZINC001575103436 951875224 /nfs/dbraw/zinc/87/52/24/951875224.db2.gz UHVQQDMQHYLVLU-MRVPVSSYSA-N 1 0 381.849 1.820 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001575104557 951888159 /nfs/dbraw/zinc/88/81/59/951888159.db2.gz DTZMQOGXKVFRGU-ZDUSSCGKSA-N 1 0 379.468 1.839 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnn(C)c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104502 951888459 /nfs/dbraw/zinc/88/84/59/951888459.db2.gz DLOFCTFZPAPAMG-CQSZACIVSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1ccnc1 ZINC001575105458 951893731 /nfs/dbraw/zinc/89/37/31/951893731.db2.gz JYRWKSVACVEHHQ-HUUCEWRRSA-N 1 0 382.472 1.556 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001575105612 951896578 /nfs/dbraw/zinc/89/65/78/951896578.db2.gz LLUKIAJVHCEYMX-IBGZPJMESA-N 1 0 380.456 1.207 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001575105905 951901148 /nfs/dbraw/zinc/90/11/48/951901148.db2.gz PHGFEKJWWOFERT-QRWLVFNGSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106237 951902846 /nfs/dbraw/zinc/90/28/46/951902846.db2.gz RIKMFFQCDIGUMC-CYBMUJFWSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1cncc(F)c1 ZINC001575106576 951904632 /nfs/dbraw/zinc/90/46/32/951904632.db2.gz SHVIRQNMINJHEE-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)no1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107332 951918009 /nfs/dbraw/zinc/91/80/09/951918009.db2.gz CZWRGHJARXKQKB-GFCCVEGCSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[C@@H](C)n1ccnc1 ZINC001575109753 951933169 /nfs/dbraw/zinc/93/31/69/951933169.db2.gz UWEHQLZXSDEFCJ-HUUCEWRRSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1cncnc1 ZINC001575110003 951935387 /nfs/dbraw/zinc/93/53/87/951935387.db2.gz XDSYYLIKPQEBNR-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575143607 952154712 /nfs/dbraw/zinc/15/47/12/952154712.db2.gz BLZWJYPKSNLHQC-GOSISDBHSA-N 1 0 383.481 1.685 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575144821 952171870 /nfs/dbraw/zinc/17/18/70/952171870.db2.gz MKQMOXAIABDEQB-JTQLQIEISA-N 1 0 383.378 1.675 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575145256 952181537 /nfs/dbraw/zinc/18/15/37/952181537.db2.gz UKVWEEWOMKHIHU-PSVSLLHZSA-N 1 0 377.399 1.282 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1scnc1C1CC1 ZINC001575145609 952186904 /nfs/dbraw/zinc/18/69/04/952186904.db2.gz BBCCTEMSJKGKQW-JTQLQIEISA-N 1 0 384.469 1.590 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001575147450 952199711 /nfs/dbraw/zinc/19/97/11/952199711.db2.gz UDCDKCWNTFGRGV-FPMFFAJLSA-N 1 0 383.481 1.808 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001575148155 952202207 /nfs/dbraw/zinc/20/22/07/952202207.db2.gz YEMDPXAGNHAWQI-NSHDSACASA-N 1 0 377.412 1.133 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575148245 952203242 /nfs/dbraw/zinc/20/32/42/952203242.db2.gz ZBJWRBNAWOPONL-NSHDSACASA-N 1 0 387.394 1.463 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)c1cscn1 ZINC001571117094 952479264 /nfs/dbraw/zinc/47/92/64/952479264.db2.gz GUYRLDKCAMPQFI-UWVGGRQHSA-N 1 0 375.483 1.778 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)c1cscn1 ZINC001571117096 952479675 /nfs/dbraw/zinc/47/96/75/952479675.db2.gz GUYRLDKCAMPQFI-VHSXEESVSA-N 1 0 375.483 1.778 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575197657 952486251 /nfs/dbraw/zinc/48/62/51/952486251.db2.gz YNBMFTHZBGNHAW-AWEZNQCLSA-N 1 0 380.452 1.887 20 0 GDADRO CC[C@@H](C[NH+]1CCC([C@@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)OC ZINC001571118303 952487342 /nfs/dbraw/zinc/48/73/42/952487342.db2.gz VHHBKWQBZIBXSM-DOMZBBRYSA-N 1 0 375.477 1.450 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575199277 952488252 /nfs/dbraw/zinc/48/82/52/952488252.db2.gz BGQZRYSCCOZOSN-CZUORRHYSA-N 1 0 380.456 1.159 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001571119816 952495832 /nfs/dbraw/zinc/49/58/32/952495832.db2.gz DVZCWDUNWQCPGZ-RWSFTLGLSA-N 1 0 375.864 1.483 20 0 GDADRO O=C(C[C@@H]1CCOC1)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121965 952523567 /nfs/dbraw/zinc/52/35/67/952523567.db2.gz GLVADZYPMRSNOV-STQMWFEESA-N 1 0 376.486 1.435 20 0 GDADRO Cc1cc(N2CCC(NC(=O)C3CC(F)(F)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124238 952536446 /nfs/dbraw/zinc/53/64/46/952536446.db2.gz CEPOAECCYVMWJA-UHFFFAOYSA-N 1 0 377.399 1.700 20 0 GDADRO CC(F)(F)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575210756 952541632 /nfs/dbraw/zinc/54/16/32/952541632.db2.gz ISKAXRFTKRCJBY-GFCCVEGCSA-N 1 0 382.390 1.989 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC001571128904 952571910 /nfs/dbraw/zinc/57/19/10/952571910.db2.gz XUEUPMUSUMNSGW-KSSFIOAISA-N 1 0 377.452 1.902 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)nn1 ZINC001571133962 952583869 /nfs/dbraw/zinc/58/38/69/952583869.db2.gz AEQODHZYIKAUAI-CJNGLKHVSA-N 1 0 378.440 1.358 20 0 GDADRO Cc1ccnc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001571134268 952588336 /nfs/dbraw/zinc/58/83/36/952588336.db2.gz GUOBSESWKOMUGG-INIZCTEOSA-N 1 0 378.440 1.360 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccncn1 ZINC001571134595 952592567 /nfs/dbraw/zinc/59/25/67/952592567.db2.gz HMQFDZQMMHNXDD-HIFRSBDPSA-N 1 0 378.440 1.440 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)c3ncccc3C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134823 952596472 /nfs/dbraw/zinc/59/64/72/952596472.db2.gz NPVKMKAUJUUEPU-MLGOLLRUSA-N 1 0 378.440 1.268 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)Cc3cccnc3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134980 952598821 /nfs/dbraw/zinc/59/88/21/952598821.db2.gz PMCSCOZSRJEHFX-CJNGLKHVSA-N 1 0 378.440 1.031 20 0 GDADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ncn1 ZINC001571135554 952605652 /nfs/dbraw/zinc/60/56/52/952605652.db2.gz WPMHBHHXSNJEMW-UHFFFAOYSA-N 1 0 378.440 1.360 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CCN(C(=O)c2cncnc2)CC1 ZINC001571135575 952605981 /nfs/dbraw/zinc/60/59/81/952605981.db2.gz XGYCVHSETOFPLX-UHFFFAOYSA-N 1 0 378.440 1.393 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1CNC(=O)c1cnccn1 ZINC001571135556 952606141 /nfs/dbraw/zinc/60/61/41/952606141.db2.gz WRINMJNKSZOEQX-UKRRQHHQSA-N 1 0 378.440 1.155 20 0 GDADRO COc1cccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571135828 952608730 /nfs/dbraw/zinc/60/87/30/952608730.db2.gz FIVICSHKFGLHOH-QGZVFWFLSA-N 1 0 378.436 1.880 20 0 GDADRO COc1ccc(C(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC001571136373 952614406 /nfs/dbraw/zinc/61/44/06/952614406.db2.gz OVRJIWYPLZWRHU-UHFFFAOYSA-N 1 0 378.436 1.737 20 0 GDADRO O=C(NCC1CC([NH2+]C[C@@H]2CCC(F)(F)C2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571139038 952617974 /nfs/dbraw/zinc/61/79/74/952617974.db2.gz AXKVGRHQWQMBRA-XSRFYTQQSA-N 1 0 379.415 1.728 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001571140681 952627829 /nfs/dbraw/zinc/62/78/29/952627829.db2.gz RYQMRXRJZIWOBM-WOPDTQHZSA-N 1 0 379.415 1.823 20 0 GDADRO O=C(c1ncc[nH]1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571140974 952629526 /nfs/dbraw/zinc/62/95/26/952629526.db2.gz DFKBVZMMOMTLHW-HOTGVXAUSA-N 1 0 378.440 1.469 20 0 GDADRO Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571142307 952640222 /nfs/dbraw/zinc/64/02/22/952640222.db2.gz OSPJOHMAWUEJMV-VYDXJSESSA-N 1 0 378.440 1.136 20 0 GDADRO COc1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1C ZINC001571142412 952641862 /nfs/dbraw/zinc/64/18/62/952641862.db2.gz USFCZFMTSFTASW-CQSZACIVSA-N 1 0 379.424 1.327 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC3)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571146780 952652397 /nfs/dbraw/zinc/65/23/97/952652397.db2.gz CAEOXOPLUIDVNG-WKILWMFISA-N 1 0 379.424 1.276 20 0 GDADRO O=C(CCn1cccc1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571151343 952674577 /nfs/dbraw/zinc/67/45/77/952674577.db2.gz PGYUKMFHQXFORY-KRWDZBQOSA-N 1 0 379.468 1.839 20 0 GDADRO CCc1c(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)ccn1C ZINC001571151602 952675766 /nfs/dbraw/zinc/67/57/66/952675766.db2.gz RQWNSTLREQQIDE-INIZCTEOSA-N 1 0 379.468 1.772 20 0 GDADRO O=C([C@@H]1CCC[C@H]2C[C@H]21)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571151782 952678831 /nfs/dbraw/zinc/67/88/31/952678831.db2.gz XILOAJYLXROWJL-AALSBFMBSA-N 1 0 379.468 1.593 20 0 GDADRO O=C([C@H]1CC1(F)F)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571152190 952681528 /nfs/dbraw/zinc/68/15/28/952681528.db2.gz CZLIDUYODVYDNE-CHWSQXEVSA-N 1 0 380.374 1.742 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CN(C(=O)C(C)(F)F)C[C@H]1C ZINC001571155318 952695790 /nfs/dbraw/zinc/69/57/90/952695790.db2.gz NQIHCCKSNNMOBC-MFKMUULPSA-N 1 0 380.399 1.467 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1 ZINC001571155337 952695989 /nfs/dbraw/zinc/69/59/89/952695989.db2.gz OIYZZXKGIHBDEX-QLPKVWCKSA-N 1 0 380.408 1.329 20 0 GDADRO CCc1cc(C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)no1 ZINC001571155686 952698887 /nfs/dbraw/zinc/69/88/87/952698887.db2.gz XPTNBQGSJDTKFG-TXEJJXNPSA-N 1 0 380.412 1.021 20 0 GDADRO Cc1noc(C)c1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571159491 952720078 /nfs/dbraw/zinc/72/00/78/952720078.db2.gz WGYAGSHBIPQRCL-STQMWFEESA-N 1 0 380.412 1.278 20 0 GDADRO O=C(Cc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571165310 952749439 /nfs/dbraw/zinc/74/94/39/952749439.db2.gz BGTDWGOKOCIPOQ-KRWDZBQOSA-N 1 0 380.427 1.939 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cnc[nH]1 ZINC001571165439 952751149 /nfs/dbraw/zinc/75/11/49/952751149.db2.gz DCWYIKOIASZKKS-CQSZACIVSA-N 1 0 380.456 1.258 20 0 GDADRO CCCc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571165599 952752912 /nfs/dbraw/zinc/75/29/12/952752912.db2.gz GRHBMMCCUGYALH-SHTZXODSSA-N 1 0 380.456 1.593 20 0 GDADRO Cc1cccnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571169398 952772405 /nfs/dbraw/zinc/77/24/05/952772405.db2.gz BLJAHWZVAVAWET-UKRRQHHQSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1nc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@H](C)C2)c[nH]1 ZINC001571169442 952773716 /nfs/dbraw/zinc/77/37/16/952773716.db2.gz COCQZMKAQLUMST-MLGOLLRUSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1nc[nH]c1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C(C)(C)C1 ZINC001571169699 952776877 /nfs/dbraw/zinc/77/68/77/952776877.db2.gz KSYVADOWEXZXHS-HNNXBMFYSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1nc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC001571169872 952779599 /nfs/dbraw/zinc/77/95/99/952779599.db2.gz POVGGUZHSJOSCH-MRXNPFEDSA-N 1 0 380.456 1.683 20 0 GDADRO CCn1cccc1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001571169927 952780719 /nfs/dbraw/zinc/78/07/19/952780719.db2.gz QXHRVVABOACJTK-HIFRSBDPSA-N 1 0 380.456 1.529 20 0 GDADRO Cc1ccnn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170074 952782772 /nfs/dbraw/zinc/78/27/72/952782772.db2.gz SCVZYAZPYHKVOO-DYVFJYSZSA-N 1 0 380.456 1.008 20 0 GDADRO CCn1ccnc1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571170090 952783205 /nfs/dbraw/zinc/78/32/05/952783205.db2.gz SQSKRVRRTRENRD-XJKSGUPXSA-N 1 0 380.456 1.333 20 0 GDADRO Cc1cnn(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571170474 952785987 /nfs/dbraw/zinc/78/59/87/952785987.db2.gz VGFVWLXKYAJLBW-JCNLHEQBSA-N 1 0 380.456 1.056 20 0 GDADRO Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571170546 952787594 /nfs/dbraw/zinc/78/75/94/952787594.db2.gz WHFMOTFHGHKGIK-MRXNPFEDSA-N 1 0 380.456 1.140 20 0 GDADRO C[NH+](C)C1(C(=O)Nc2cnn(Cc3ccc(-c4nn[nH]n4)cc3)c2)CCCC1 ZINC001571170872 952789688 /nfs/dbraw/zinc/78/96/88/952789688.db2.gz YGSNZZAHGSEBDY-UHFFFAOYSA-N 1 0 380.456 1.924 20 0 GDADRO O=C(Cc1c[nH]cn1)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571171773 952797060 /nfs/dbraw/zinc/79/70/60/952797060.db2.gz GHBYWRLPSCWMAG-WBVHZDCISA-N 1 0 380.456 1.207 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571171953 952799145 /nfs/dbraw/zinc/79/91/45/952799145.db2.gz JWIRKDXYKRTFTD-GDBMZVCRSA-N 1 0 380.456 1.289 20 0 GDADRO O=C(Cn1ccnc1)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571171924 952799385 /nfs/dbraw/zinc/79/93/85/952799385.db2.gz IOPSHBNJZVWDMC-KRWDZBQOSA-N 1 0 380.456 1.234 20 0 GDADRO CS[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571172554 952808981 /nfs/dbraw/zinc/80/89/81/952808981.db2.gz XBLINWRFQBXCTR-VXGBXAGGSA-N 1 0 380.543 1.960 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571178873 952848975 /nfs/dbraw/zinc/84/89/75/952848975.db2.gz WWBWIDJAPASZMN-SJKOYZFVSA-N 1 0 381.415 1.651 20 0 GDADRO Cc1cc(C(=O)NCC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)no1 ZINC001571179936 952858192 /nfs/dbraw/zinc/85/81/92/952858192.db2.gz KQICJXVAHIZKGJ-UHFFFAOYSA-N 1 0 381.440 1.805 20 0 GDADRO Cc1cc[nH]c1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571180471 952860544 /nfs/dbraw/zinc/86/05/44/952860544.db2.gz OWSPYIAAFNCNPZ-MRXNPFEDSA-N 1 0 381.440 1.134 20 0 GDADRO Cc1nocc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571180619 952861741 /nfs/dbraw/zinc/86/17/41/952861741.db2.gz RAJYGBODNNAKMT-IUODEOHRSA-N 1 0 381.440 1.946 20 0 GDADRO CCc1ocnc1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571182796 952868280 /nfs/dbraw/zinc/86/82/80/952868280.db2.gz GBGONRLWPCOGAF-OAHLLOKOSA-N 1 0 381.440 1.812 20 0 GDADRO O=C(Cc1ccc(F)cn1)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571182833 952870003 /nfs/dbraw/zinc/87/00/03/952870003.db2.gz HCOXZZCZYRGSMW-QAQDUYKDSA-N 1 0 381.415 1.380 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc[nH]2)cc1-c1nn[nH]n1 ZINC001571182943 952870721 /nfs/dbraw/zinc/87/07/21/952870721.db2.gz KGTKIXMISZAHPT-CQSZACIVSA-N 1 0 381.440 1.598 20 0 GDADRO CCc1oncc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571183066 952872874 /nfs/dbraw/zinc/87/28/74/952872874.db2.gz NHSXOXACWBCSFH-CQSZACIVSA-N 1 0 381.440 1.812 20 0 GDADRO CCc1cc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)no1 ZINC001571183243 952875468 /nfs/dbraw/zinc/87/54/68/952875468.db2.gz UETOWBVIDUWYKR-SWLSCSKDSA-N 1 0 381.440 1.810 20 0 GDADRO CCc1ocnc1C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571183381 952877535 /nfs/dbraw/zinc/87/75/35/952877535.db2.gz ZAJAUSXSDWPJOQ-SWLSCSKDSA-N 1 0 381.440 1.810 20 0 GDADRO O=C(NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001571183385 952877843 /nfs/dbraw/zinc/87/78/43/952877843.db2.gz ZAYSCQPLGKGDBI-UHFFFAOYSA-N 1 0 381.415 1.795 20 0 GDADRO CCn1ccc(C(=O)NC2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001571184830 952896834 /nfs/dbraw/zinc/89/68/34/952896834.db2.gz DYIOMFFGQLWGML-UHFFFAOYSA-N 1 0 381.444 1.053 20 0 GDADRO Cc1nn[nH]c1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571189311 952927772 /nfs/dbraw/zinc/92/77/72/952927772.db2.gz USMNLTOYIOGYIC-HNNXBMFYSA-N 1 0 381.444 1.078 20 0 GDADRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)c1nnc[nH]1 ZINC001571189889 952935947 /nfs/dbraw/zinc/93/59/47/952935947.db2.gz YLSHELQHHIXIRN-NNUKFRKNSA-N 1 0 381.444 1.063 20 0 GDADRO Cc1ncc(C(=O)N[C@@H](C)[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)[nH]1 ZINC001571189877 952935959 /nfs/dbraw/zinc/93/59/59/952935959.db2.gz YGSGHQWXXDHZFC-AAEUAGOBSA-N 1 0 381.444 1.328 20 0 GDADRO O=C(N[C@@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccc(F)cn1 ZINC001571200323 953008935 /nfs/dbraw/zinc/00/89/35/953008935.db2.gz HTKXXNWFQPIWPQ-DGCLKSJQSA-N 1 0 382.403 1.228 20 0 GDADRO Cc1cnc([C@H](C)N2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)o1 ZINC001571200855 953012747 /nfs/dbraw/zinc/01/27/47/953012747.db2.gz GZQLMIJXKSSDJB-DOERSZECSA-N 1 0 382.428 1.160 20 0 GDADRO CCCc1cc(C(=O)N2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C)no1 ZINC001571200826 953013175 /nfs/dbraw/zinc/01/31/75/953013175.db2.gz MGHCYTFTHWJVGC-NEPJUHHUSA-N 1 0 382.428 1.339 20 0 GDADRO CC(C)c1oncc1C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571201120 953015189 /nfs/dbraw/zinc/01/51/89/953015189.db2.gz MZFIKHPRRFDHJY-LBPRGKRZSA-N 1 0 382.428 1.512 20 0 GDADRO Cc1nc(C(C)C)oc1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202288 953024489 /nfs/dbraw/zinc/02/44/89/953024489.db2.gz SKZMKKRAQQIILS-GFCCVEGCSA-N 1 0 382.428 1.430 20 0 GDADRO Cc1nc(C(=O)N[C@H](C)[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)co1 ZINC001571202734 953028145 /nfs/dbraw/zinc/02/81/45/953028145.db2.gz XNNISHVCTPONGJ-YPMHNXCESA-N 1 0 382.428 1.593 20 0 GDADRO Cc1ocnc1C(=O)N1CCC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571204951 953035048 /nfs/dbraw/zinc/03/50/48/953035048.db2.gz DUJYNKSLSMOODO-CYBMUJFWSA-N 1 0 382.428 1.547 20 0 GDADRO Cc1nc(C)c(C[N@H+]2C[C@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@H]3C2)o1 ZINC001571205363 953036867 /nfs/dbraw/zinc/03/68/67/953036867.db2.gz ICKRLQPHIUYFOS-OKILXGFUSA-N 1 0 382.428 1.004 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC34CC4)C2)cc1-c1nn[nH]n1 ZINC001571209990 953069849 /nfs/dbraw/zinc/06/98/49/953069849.db2.gz KVDMSPLPQKEODU-ZBFHGGJFSA-N 1 0 382.468 1.756 20 0 GDADRO Cc1ncsc1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571210798 953073612 /nfs/dbraw/zinc/07/36/12/953073612.db2.gz XIPFLXDJVAZYBV-IMRBUKKESA-N 1 0 382.453 1.200 20 0 GDADRO O=C([C@H]1CCCO1)N1CCC2(C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001571210715 953074518 /nfs/dbraw/zinc/07/45/18/953074518.db2.gz VVAKNPBXFJBKIE-QGZVFWFLSA-N 1 0 382.468 1.470 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)CCOC1 ZINC001571210898 953075051 /nfs/dbraw/zinc/07/50/51/953075051.db2.gz ZRAIPTSPUKAHFR-YLAKUSLOSA-N 1 0 382.468 1.515 20 0 GDADRO Cc1ocnc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001571217368 953108394 /nfs/dbraw/zinc/10/83/94/953108394.db2.gz JFBLEJOESISWGQ-VIKVFOODSA-N 1 0 383.387 1.162 20 0 GDADRO COCc1ccc(C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571219320 953125180 /nfs/dbraw/zinc/12/51/80/953125180.db2.gz NUBQKPDTKFVJRF-LBPRGKRZSA-N 1 0 383.412 1.140 20 0 GDADRO Cc1c(C(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)ccn1C ZINC001571229242 953168473 /nfs/dbraw/zinc/16/84/73/953168473.db2.gz BFQAJTSUXVGWIT-HNNXBMFYSA-N 1 0 383.431 1.657 20 0 GDADRO Cn1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC001571229414 953169274 /nfs/dbraw/zinc/16/92/74/953169274.db2.gz DPOXKXBXCZDSAP-HNNXBMFYSA-N 1 0 383.431 1.739 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CN1C(=O)c1cccn1C ZINC001571230119 953173543 /nfs/dbraw/zinc/17/35/43/953173543.db2.gz SAULSJFVOMWSIP-DOMZBBRYSA-N 1 0 383.431 1.737 20 0 GDADRO CC1(C)CN(C(=O)c2ccc[nH]2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571230514 953177504 /nfs/dbraw/zinc/17/75/04/953177504.db2.gz XGKQODRGAOAZHD-INIZCTEOSA-N 1 0 383.431 1.974 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571234290 953200786 /nfs/dbraw/zinc/20/07/86/953200786.db2.gz SRLYIYPSBMQMQA-MLGOLLRUSA-N 1 0 383.481 1.502 20 0 GDADRO O=C(NCCc1ccc(-c2nn[nH]n2)cc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001571234821 953205872 /nfs/dbraw/zinc/20/58/72/953205872.db2.gz JNNNHWVKKPMLAH-SFHVURJKSA-N 1 0 383.500 1.973 20 0 GDADRO Cc1cc(C(=O)N2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]2C)[nH]n1 ZINC001571239758 953243051 /nfs/dbraw/zinc/24/30/51/953243051.db2.gz SEQPNNPXQRQDLP-BXUZGUMPSA-N 1 0 384.419 1.430 20 0 GDADRO Cc1c[nH]nc1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239963 953244407 /nfs/dbraw/zinc/24/44/07/953244407.db2.gz VVGSJMKBKFONEL-XHDPSFHLSA-N 1 0 384.419 1.288 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ncc[nH]1 ZINC001571241580 953248510 /nfs/dbraw/zinc/24/85/10/953248510.db2.gz DWUNTWWMWRPQNV-SMDDNHRTSA-N 1 0 384.419 1.417 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)c3cc(F)c[nH]3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571241707 953248652 /nfs/dbraw/zinc/24/86/52/953248652.db2.gz JLMFEWXVKMPKDH-ZDUSSCGKSA-N 1 0 384.419 1.826 20 0 GDADRO Cn1nccc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571242227 953254881 /nfs/dbraw/zinc/25/48/81/953254881.db2.gz XFBXKUUDMMGDAT-YEORSEQZSA-N 1 0 384.419 1.038 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1n[nH]cc1F ZINC001571242245 953254885 /nfs/dbraw/zinc/25/48/85/953254885.db2.gz XQMQHONQRZAZHU-CYBMUJFWSA-N 1 0 384.419 1.371 20 0 GDADRO CCc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571243218 953263979 /nfs/dbraw/zinc/26/39/79/953263979.db2.gz ZRONBMIRUZNCCQ-CYBMUJFWSA-N 1 0 384.444 1.448 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@H]2C)cnn1 ZINC001571244750 953266574 /nfs/dbraw/zinc/26/65/74/953266574.db2.gz HJYQDECHIRAMHA-RISCZKNCSA-N 1 0 384.469 1.419 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@H]2C)nn1 ZINC001571244756 953266695 /nfs/dbraw/zinc/26/66/95/953266695.db2.gz HNISPRJEYQFOMY-DGCLKSJQSA-N 1 0 384.469 1.419 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245072 953269557 /nfs/dbraw/zinc/26/95/57/953269557.db2.gz NIZBCQFAWJYDFZ-VXGBXAGGSA-N 1 0 384.469 1.350 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)[C@H]2C)s1 ZINC001571245679 953276208 /nfs/dbraw/zinc/27/62/08/953276208.db2.gz YFFLPLBUHVFALB-ZWNOBZJWSA-N 1 0 384.469 1.472 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001571246200 953280829 /nfs/dbraw/zinc/28/08/29/953280829.db2.gz VXLPHPACBZREOD-YJXLDUANSA-N 1 0 384.459 1.988 20 0 GDADRO CCO[C@@H]1C[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571247764 953286257 /nfs/dbraw/zinc/28/62/57/953286257.db2.gz DMMRSQCSQDTOHG-DLBZAZTESA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CO1 ZINC001571247907 953286844 /nfs/dbraw/zinc/28/68/44/953286844.db2.gz IBZQDLKLQXTHCB-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)CO1 ZINC001571247847 953287352 /nfs/dbraw/zinc/28/73/52/953287352.db2.gz GCAGMKBVJRFDHJ-NBMRYCAZSA-N 1 0 384.484 1.809 20 0 GDADRO CC1(C)CO[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571247898 953287658 /nfs/dbraw/zinc/28/76/58/953287658.db2.gz HVUFRZRIBDIFBT-BZUAXINKSA-N 1 0 384.484 1.809 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571247946 953287912 /nfs/dbraw/zinc/28/79/12/953287912.db2.gz JCNZWOOJCOLSRT-HFTRVMKXSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@]1(NC(=O)C2CCC(O)CC2)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571247996 953288944 /nfs/dbraw/zinc/28/89/44/953288944.db2.gz KTEDRXXPYNECIW-LAGYLCCXSA-N 1 0 384.484 1.498 20 0 GDADRO COC1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001571248403 953293093 /nfs/dbraw/zinc/29/30/93/953293093.db2.gz SIOYZVVSBPOKKK-LXPRWKDFSA-N 1 0 384.484 1.762 20 0 GDADRO COC1CC(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571248482 953294353 /nfs/dbraw/zinc/29/43/53/953294353.db2.gz VKUXRCNRQGWKQQ-ZLPCBKJTSA-N 1 0 384.484 1.572 20 0 GDADRO CC1(C)CN(C(=O)[C@@H]2CCCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571248489 953294486 /nfs/dbraw/zinc/29/44/86/953294486.db2.gz VNDULRWQNVNSKS-IAGOWNOFSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H]1COCC[C@H]1C(=O)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571248502 953294713 /nfs/dbraw/zinc/29/47/13/953294713.db2.gz WAFKRIPYJOOEIM-CRAIPNDOSA-N 1 0 384.484 1.574 20 0 GDADRO C[C@](O)(CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001571248769 953296650 /nfs/dbraw/zinc/29/66/50/953296650.db2.gz ZNOQYNCGEVEGRG-PXNSSMCTSA-N 1 0 384.484 1.498 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cnns1 ZINC001571248737 953297286 /nfs/dbraw/zinc/29/72/86/953297286.db2.gz YLFDEELJTPJSGN-UHFFFAOYSA-N 1 0 384.469 1.549 20 0 GDADRO Cc1nc(C)c(C[NH2+]C[C@H]2CCCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)o1 ZINC001571250387 953310861 /nfs/dbraw/zinc/31/08/61/953310861.db2.gz RCOARVCGNXKOGI-CQSZACIVSA-N 1 0 384.444 1.584 20 0 GDADRO O=C(C[C@@H]1CCCO1)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571250674 953312318 /nfs/dbraw/zinc/31/23/18/953312318.db2.gz SCQSHJFSGWWQQI-WMZOPIPTSA-N 1 0 384.484 1.764 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001571251954 953322014 /nfs/dbraw/zinc/32/20/14/953322014.db2.gz CLLOUOFKMIRCBE-ZBFHGGJFSA-N 1 0 384.488 1.139 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252057 953323535 /nfs/dbraw/zinc/32/35/35/953323535.db2.gz GHAOZQHDYLXBBI-HOTGVXAUSA-N 1 0 384.488 1.221 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571252473 953328869 /nfs/dbraw/zinc/32/88/69/953328869.db2.gz NLXCFUUHHJSNEC-WBVHZDCISA-N 1 0 384.488 1.539 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3ccncc3-c3nn[nH]n3)[C@@H]2C)CC[N@@H+]1C ZINC001571252726 953331675 /nfs/dbraw/zinc/33/16/75/953331675.db2.gz VASBZZJJJHJIDX-BFJAYTPKSA-N 1 0 384.488 1.075 20 0 GDADRO CCc1cc(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)no1 ZINC001571255227 953346652 /nfs/dbraw/zinc/34/66/52/953346652.db2.gz MWCSLGNZNAZBQU-ZDUSSCGKSA-N 1 0 385.403 1.561 20 0 GDADRO Cc1cc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)no1 ZINC001571255232 953346718 /nfs/dbraw/zinc/34/67/18/953346718.db2.gz NAJCRJJCDUOUSL-OKILXGFUSA-N 1 0 385.403 1.282 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1cnoc1 ZINC001571256085 953363224 /nfs/dbraw/zinc/36/32/24/953363224.db2.gz XUZWVYLFXGVFJP-BDJLRTHQSA-N 1 0 385.403 1.316 20 0 GDADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1)c1ccco1 ZINC001594995220 982890398 /nfs/dbraw/zinc/89/03/98/982890398.db2.gz UKSPSZXXBTVGKO-HUUCEWRRSA-N 1 0 380.489 1.899 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001594519355 985953986 /nfs/dbraw/zinc/95/39/86/985953986.db2.gz SKZMOTRUMDFHNG-INIZCTEOSA-N 1 0 397.479 1.938 20 0 GDADRO C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001598224272 990906426 /nfs/dbraw/zinc/90/64/26/990906426.db2.gz BLEFNGVCWIJOSG-UHFFFAOYSA-N 1 0 387.477 1.170 20 0 GDADRO C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(C(=O)[O-])c3n2CCCC3)CC1 ZINC001598232213 990943962 /nfs/dbraw/zinc/94/39/62/990943962.db2.gz GFLLRZQFINRQJI-UHFFFAOYSA-N 1 0 376.501 1.412 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc(N4CC[NH+](CC(=O)[O-])CC4)cc3)[C@@H]2C1 ZINC001598572823 993225811 /nfs/dbraw/zinc/22/58/11/993225811.db2.gz AXZGZCGKYUXRKK-CRAIPNDOSA-N 1 0 387.484 1.061 20 0 GDADRO C[NH2+]C1(CNC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CCC1 ZINC001598664717 994656871 /nfs/dbraw/zinc/65/68/71/994656871.db2.gz SMRVNSMSBRMGKE-UHFFFAOYSA-N 1 0 375.473 1.157 20 0 GDADRO COC1([C@@H](C(=O)[O-])[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC001599083949 997061024 /nfs/dbraw/zinc/06/10/24/997061024.db2.gz ZPAKORLGVGJVFL-VQTJNVASSA-N 1 0 387.524 1.901 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC[NH+](C)CC(=O)[O-] ZINC001594375302 999415727 /nfs/dbraw/zinc/41/57/27/999415727.db2.gz NOEVKKYMZRUABJ-MRXNPFEDSA-N 1 0 377.485 1.686 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001594439117 999619833 /nfs/dbraw/zinc/61/98/33/999619833.db2.gz MAVLPSCXPHJEHN-YOEHRIQHSA-N 1 0 375.473 1.013 20 0 GDADRO COc1cc(C[NH2+][C@H](CO)Cc2ccccc2)cc(Cl)c1OCC(N)=O ZINC000131534833 1126076604 /nfs/dbraw/zinc/07/66/04/1126076604.db2.gz KVOPCFYAWHLCQZ-HNNXBMFYSA-N 1 0 378.856 1.906 20 0 GDADRO C[C@]1(n2cc(C[NH2+][C@H](CO)Cc3ccc(F)cc3)cn2)CCS(=O)(=O)C1 ZINC000500248787 1126095177 /nfs/dbraw/zinc/09/51/77/1126095177.db2.gz IAZGBIPTXMWLOU-ROUUACIJSA-N 1 0 381.473 1.249 20 0 GDADRO Cc1ncc(C[NH2+][C@@]2(CO)CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)s1 ZINC001502577816 1126206306 /nfs/dbraw/zinc/20/63/06/1126206306.db2.gz NSGFCPCZIXLXSJ-RMRDIRSESA-N 1 0 379.526 1.710 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(-c3nn[nH]n3)ccn2)cc1OC ZINC001579995510 1126215329 /nfs/dbraw/zinc/21/53/29/1126215329.db2.gz IWFXGDDDTGBTCU-IBGZPJMESA-N 1 0 384.440 1.362 20 0 GDADRO O=C(CCOc1ccc(Br)cc1F)NCCCN1CC[NH2+]CC1 ZINC000158831860 530536407 /nfs/dbraw/zinc/53/64/07/530536407.db2.gz UICSXENPUOVAIE-UHFFFAOYSA-N 1 0 388.281 1.769 20 0 GDADRO C[C@@H]1Cc2cc(S(=O)(=O)NC[C@H](O)C[NH+]3CCCCC3)cc(Cl)c2O1 ZINC000158981433 530538321 /nfs/dbraw/zinc/53/83/21/530538321.db2.gz GTMXXIIOWCZDGE-OCCSQVGLSA-N 1 0 388.917 1.789 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000162285397 530567184 /nfs/dbraw/zinc/56/71/84/530567184.db2.gz KLLNMPYPPFSZHI-WDEREUQCSA-N 1 0 391.896 1.977 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000163176530 530574454 /nfs/dbraw/zinc/57/44/54/530574454.db2.gz DPRFMPUKAWSWCW-GFCCVEGCSA-N 1 0 384.274 1.652 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(F)cc2I)CCO1 ZINC000163287693 530575105 /nfs/dbraw/zinc/57/51/05/530575105.db2.gz PZUKXGVHHSXSOD-PELKAZGASA-N 1 0 378.185 1.619 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CCO1 ZINC000163240080 530575152 /nfs/dbraw/zinc/57/51/52/530575152.db2.gz FXYPOSHSRPWLGY-ZOWXZIJZSA-N 1 0 396.285 1.377 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)Cc2c(F)cccc2F)CC1 ZINC000163720183 530577084 /nfs/dbraw/zinc/57/70/84/530577084.db2.gz AQIBWWGMAJYTIX-AWEZNQCLSA-N 1 0 375.485 1.658 20 0 GDADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC[N@@H+]1C ZINC000164251751 530579293 /nfs/dbraw/zinc/57/92/93/530579293.db2.gz CRPHUYWCQRNPMJ-UWVGGRQHSA-N 1 0 377.869 1.681 20 0 GDADRO CC(C)NS(=O)(=O)CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000171169144 530594894 /nfs/dbraw/zinc/59/48/94/530594894.db2.gz TXHZOFVYMLTUSY-HUUCEWRRSA-N 1 0 376.567 1.370 20 0 GDADRO COCC[N@H+](C)CCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000171190411 530595878 /nfs/dbraw/zinc/59/58/78/530595878.db2.gz DUUCBSFLQFCUFN-UHFFFAOYSA-N 1 0 377.272 1.809 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000172603701 530615544 /nfs/dbraw/zinc/61/55/44/530615544.db2.gz PKLMKDVAPBFSFY-STQMWFEESA-N 1 0 381.523 1.794 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)cn1C)c1ccsc1 ZINC000031985031 530605390 /nfs/dbraw/zinc/60/53/90/530605390.db2.gz ZHCJAZWWDYWLQR-HNNXBMFYSA-N 1 0 384.527 1.547 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(I)c[nH]2)C1 ZINC000172189211 530609817 /nfs/dbraw/zinc/60/98/17/530609817.db2.gz GSSSVWBYIPMVPL-LBPRGKRZSA-N 1 0 391.253 1.706 20 0 GDADRO C[C@@H](CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[NH+](C)C ZINC000033093372 530611804 /nfs/dbraw/zinc/61/18/04/530611804.db2.gz DVSCJJXXPNVKQC-JTQLQIEISA-N 1 0 380.539 1.773 20 0 GDADRO COCCNC(=O)CN1CCN([C@H](C)c2cccc(Br)c2)CC1 ZINC000169185706 530585248 /nfs/dbraw/zinc/58/52/48/530585248.db2.gz IPHKPUIWIOMGIH-CQSZACIVSA-N 1 0 384.318 1.890 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000041718215 530624032 /nfs/dbraw/zinc/62/40/32/530624032.db2.gz WWDITGITCAYDRP-UHFFFAOYSA-N 1 0 383.290 1.141 20 0 GDADRO CS(=O)(=O)N1CCC[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000041967880 530625781 /nfs/dbraw/zinc/62/57/81/530625781.db2.gz KMTHJHLHTFJBGK-HNNXBMFYSA-N 1 0 389.587 1.136 20 0 GDADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173209063 530626076 /nfs/dbraw/zinc/62/60/76/530626076.db2.gz URPITYSSNWTKSG-LBPRGKRZSA-N 1 0 382.233 1.999 20 0 GDADRO C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000173248753 530627143 /nfs/dbraw/zinc/62/71/43/530627143.db2.gz AUBLDSHWOQYGMN-FZMZJTMJSA-N 1 0 394.946 1.704 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000042741430 530630729 /nfs/dbraw/zinc/63/07/29/530630729.db2.gz VVAWSLDGNQZQEV-UHFFFAOYSA-N 1 0 388.693 1.949 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000042883285 530631930 /nfs/dbraw/zinc/63/19/30/530631930.db2.gz RCRSJEXJARGKOH-CYBMUJFWSA-N 1 0 396.285 1.775 20 0 GDADRO O=S1(=O)CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000037982305 530617117 /nfs/dbraw/zinc/61/71/17/530617117.db2.gz VDOMXZSRMMXICD-WCQYABFASA-N 1 0 378.288 1.213 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)NCC[NH+]2CCCCC2)c1 ZINC000041135133 530620979 /nfs/dbraw/zinc/62/09/79/530620979.db2.gz FAYMSQWSQOBFHC-UHFFFAOYSA-N 1 0 387.889 1.284 20 0 GDADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000046060533 530649114 /nfs/dbraw/zinc/64/91/14/530649114.db2.gz GROGPZPIZNAUFQ-UHFFFAOYSA-N 1 0 377.919 1.329 20 0 GDADRO CN(CC(=O)NC[C@@H](C1CC1)[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000047921594 530664086 /nfs/dbraw/zinc/66/40/86/530664086.db2.gz BKPMHTUDXWQYKF-NSHDSACASA-N 1 0 379.935 1.478 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000049208287 530672067 /nfs/dbraw/zinc/67/20/67/530672067.db2.gz FNHWILAQIUKTNF-HOTGVXAUSA-N 1 0 376.567 1.325 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NCCCN(C)S(C)(=O)=O)c1ccsc1 ZINC000049118842 530672129 /nfs/dbraw/zinc/67/21/29/530672129.db2.gz IENSPCVJNGEOJR-OAHLLOKOSA-N 1 0 390.575 1.712 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000049195662 530672515 /nfs/dbraw/zinc/67/25/15/530672515.db2.gz AWFCFHXIUHOIFZ-CQSZACIVSA-N 1 0 376.548 1.322 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]CCOc2ccc(Br)cc2)CC1 ZINC000049596015 530673906 /nfs/dbraw/zinc/67/39/06/530673906.db2.gz LYAQCKGBAKMVFC-UHFFFAOYSA-N 1 0 377.304 1.842 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1Cl ZINC000049736963 530674740 /nfs/dbraw/zinc/67/47/40/530674740.db2.gz LAWMOFPVJHCAJT-MRXNPFEDSA-N 1 0 389.949 1.899 20 0 GDADRO CN(C)C(=O)c1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)[nH]1 ZINC000176766496 530690779 /nfs/dbraw/zinc/69/07/79/530690779.db2.gz STSCWGMUWHXJTI-UHFFFAOYSA-N 1 0 393.285 1.999 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000176849941 530692185 /nfs/dbraw/zinc/69/21/85/530692185.db2.gz ZVEPJGGRYLOXOX-UHFFFAOYSA-N 1 0 375.803 1.520 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(S(N)(=O)=O)s1)c1cccs1 ZINC000054377046 530700900 /nfs/dbraw/zinc/70/09/00/530700900.db2.gz FQRMEJKEEUHUHK-LLVKDONJSA-N 1 0 388.540 1.559 20 0 GDADRO C[C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177372328 530701531 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C[C@H](CNC(=O)c1cc2c(c(Br)c1)OCO2)C[NH+]1CCN(C)CC1 ZINC000056984207 530722380 /nfs/dbraw/zinc/72/23/80/530722380.db2.gz KTTOTDDZKCRCGZ-GFCCVEGCSA-N 1 0 398.301 1.791 20 0 GDADRO CN1CC[NH+](CC2CCN(C(=O)c3cncc(Br)c3)CC2)CC1 ZINC000057066264 530723529 /nfs/dbraw/zinc/72/35/29/530723529.db2.gz BPHOBECDNOYSCG-UHFFFAOYSA-N 1 0 381.318 1.944 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000178617967 530724008 /nfs/dbraw/zinc/72/40/08/530724008.db2.gz MWTCZEQHZBCBRN-LLVKDONJSA-N 1 0 382.262 1.706 20 0 GDADRO C[C@@H]([NH3+])CCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000178672589 530725765 /nfs/dbraw/zinc/72/57/65/530725765.db2.gz DLGBAIYJGKMLSS-SECBINFHSA-N 1 0 390.303 1.357 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)nc1Cl ZINC000178725905 530726950 /nfs/dbraw/zinc/72/69/50/530726950.db2.gz VQTMUDCNLWYZNG-NSHDSACASA-N 1 0 382.313 1.904 20 0 GDADRO O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NC[C@H]1CCC[NH2+]1 ZINC000178737340 530727103 /nfs/dbraw/zinc/72/71/03/530727103.db2.gz OSPZPNLWWYJAID-LLVKDONJSA-N 1 0 380.242 1.303 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)NC[C@H]2CCC[NH2+]2)c1F ZINC000178759972 530727295 /nfs/dbraw/zinc/72/72/95/530727295.db2.gz NGTOWWJFHAZIGT-SECBINFHSA-N 1 0 379.251 1.474 20 0 GDADRO C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C[C@H]1CCOC1 ZINC000178757983 530727649 /nfs/dbraw/zinc/72/76/49/530727649.db2.gz SEUUDTUEJFXTCM-GFCCVEGCSA-N 1 0 384.274 1.472 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cs1 ZINC000057923284 530729379 /nfs/dbraw/zinc/72/93/79/530729379.db2.gz RLLIKOWDFIDYLO-HNNXBMFYSA-N 1 0 379.507 1.962 20 0 GDADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1sccc1-n1cnnn1 ZINC000058133151 530730038 /nfs/dbraw/zinc/73/00/38/530730038.db2.gz ZEIDJEDCWCCXID-UHFFFAOYSA-N 1 0 378.527 1.815 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000178893846 530730159 /nfs/dbraw/zinc/73/01/59/530730159.db2.gz BECJLOYAISGVCS-LLVKDONJSA-N 1 0 391.287 1.656 20 0 GDADRO C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)[C@@H]1CCSC1 ZINC000178965235 530732758 /nfs/dbraw/zinc/73/27/58/530732758.db2.gz ZNSFTHPBFUNHRN-LLVKDONJSA-N 1 0 386.315 1.941 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000179014552 530733414 /nfs/dbraw/zinc/73/34/14/530733414.db2.gz DUJYETZSGZXKTC-ZDUSSCGKSA-N 1 0 389.315 1.432 20 0 GDADRO COc1cc(C[NH2+]C[C@]2(O)CCOC2)cc(I)c1OC ZINC000179019249 530733592 /nfs/dbraw/zinc/73/35/92/530733592.db2.gz YAHMRWOSDBPVKN-CQSZACIVSA-N 1 0 393.221 1.549 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)n(C)c1 ZINC000179949549 530753826 /nfs/dbraw/zinc/75/38/26/530753826.db2.gz IBCZODSIZUZVBE-CQSZACIVSA-N 1 0 384.527 1.370 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000065550516 530754629 /nfs/dbraw/zinc/75/46/29/530754629.db2.gz FKRAOCNENBDAGR-OAHLLOKOSA-N 1 0 376.567 1.468 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000065974640 530757083 /nfs/dbraw/zinc/75/70/83/530757083.db2.gz VGJDICSLEVVQRY-UHFFFAOYSA-N 1 0 391.896 1.558 20 0 GDADRO O=S(=O)(C1CC1)N1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000180179261 530759431 /nfs/dbraw/zinc/75/94/31/530759431.db2.gz IDWDRRXJJWGYBX-UHFFFAOYSA-N 1 0 383.480 1.949 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000063710879 530746792 /nfs/dbraw/zinc/74/67/92/530746792.db2.gz GZYNJRQVHYKXHV-NSHDSACASA-N 1 0 381.278 1.737 20 0 GDADRO CC(C)[N@H+](C)CCCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000063738233 530747043 /nfs/dbraw/zinc/74/70/43/530747043.db2.gz WMOVMPYFAPEFST-UHFFFAOYSA-N 1 0 377.457 1.480 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)CNS(=O)(=O)c1cccs1)c1ccco1 ZINC000067274958 530774349 /nfs/dbraw/zinc/77/43/49/530774349.db2.gz YLKQYKWCWGKDAI-ZDUSSCGKSA-N 1 0 385.511 1.819 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2cccs2)cc1 ZINC000181041927 530777259 /nfs/dbraw/zinc/77/72/59/530777259.db2.gz COGXLBCIDASXTB-UKRRQHHQSA-N 1 0 384.523 1.885 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccnc2Br)C[C@@H](C)O1 ZINC000181432066 530782686 /nfs/dbraw/zinc/78/26/86/530782686.db2.gz ISIBLAQPBPHMBE-VXGBXAGGSA-N 1 0 399.289 1.398 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000181463145 530783594 /nfs/dbraw/zinc/78/35/94/530783594.db2.gz BTNNCTIYMYPJFB-NSHDSACASA-N 1 0 381.274 1.692 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000181466462 530783679 /nfs/dbraw/zinc/78/36/79/530783679.db2.gz WYSSFBIBYPKTFX-UHFFFAOYSA-N 1 0 387.278 1.176 20 0 GDADRO C[NH+](C)CCOc1ccc(CNC(=O)c2csc(S(N)(=O)=O)c2)cc1 ZINC000068130469 530783913 /nfs/dbraw/zinc/78/39/13/530783913.db2.gz KKIFIEWWWIWNOO-UHFFFAOYSA-N 1 0 383.495 1.266 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000068208680 530785204 /nfs/dbraw/zinc/78/52/04/530785204.db2.gz UODODAGLWOMLHU-AWEZNQCLSA-N 1 0 387.571 1.995 20 0 GDADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000181515747 530785612 /nfs/dbraw/zinc/78/56/12/530785612.db2.gz HDEYTSVJAMYSGJ-UHFFFAOYSA-N 1 0 385.262 1.579 20 0 GDADRO COc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)nc1Br ZINC000182640545 530802749 /nfs/dbraw/zinc/80/27/49/530802749.db2.gz MCXBLGLPQPSAQA-UHFFFAOYSA-N 1 0 397.317 1.706 20 0 GDADRO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000182791533 530804787 /nfs/dbraw/zinc/80/47/87/530804787.db2.gz WFQNGCGJPMGMOZ-GFCCVEGCSA-N 1 0 379.404 1.882 20 0 GDADRO NC(=O)C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000181956191 530792514 /nfs/dbraw/zinc/79/25/14/530792514.db2.gz NMRITTNYOLSGGS-DZGCQCFKSA-N 1 0 384.274 1.236 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC000079044991 530808098 /nfs/dbraw/zinc/80/80/98/530808098.db2.gz POOMCXAKFMDGTJ-LBPRGKRZSA-N 1 0 376.548 1.432 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000182992001 530808622 /nfs/dbraw/zinc/80/86/22/530808622.db2.gz WQCNLPPQDKQOQM-LBPRGKRZSA-N 1 0 381.420 1.985 20 0 GDADRO CCCS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085359057 530808766 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O=S(=O)(CCO)c1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000189161738 530909112 /nfs/dbraw/zinc/90/91/12/530909112.db2.gz JSZIUWIOPMDQOL-UHFFFAOYSA-N 1 0 380.432 1.569 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000188079366 530884195 /nfs/dbraw/zinc/88/41/95/530884195.db2.gz MNVLALXWAZDOMC-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000188059781 530884432 /nfs/dbraw/zinc/88/44/32/530884432.db2.gz AFTMUMNTHWUXMT-UHFFFAOYSA-N 1 0 398.301 1.925 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000188094793 530884983 /nfs/dbraw/zinc/88/49/83/530884983.db2.gz XZBFEFVAAAKTGG-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000188205185 530888709 /nfs/dbraw/zinc/88/87/09/530888709.db2.gz AJBYVCLQJDHPKX-UHFFFAOYSA-N 1 0 380.283 1.114 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC[NH2+]1 ZINC000188467617 530894987 /nfs/dbraw/zinc/89/49/87/530894987.db2.gz CYCKOTSYDDMBBI-CYBMUJFWSA-N 1 0 385.917 1.949 20 0 GDADRO CC(C)[C@H]1CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000114728909 530896161 /nfs/dbraw/zinc/89/61/61/530896161.db2.gz FUVJWBBRFXXWKM-KRWDZBQOSA-N 1 0 375.579 1.921 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000190435463 530930424 /nfs/dbraw/zinc/93/04/24/530930424.db2.gz GAYHTMLBIUFZDQ-JTQLQIEISA-N 1 0 382.258 1.706 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cncc(Br)c2)[C@H](C)C1 ZINC000119846131 530931747 /nfs/dbraw/zinc/93/17/47/530931747.db2.gz NUDUSNKOYLUEFN-BXUZGUMPSA-N 1 0 383.290 1.971 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000118106128 530915865 /nfs/dbraw/zinc/91/58/65/530915865.db2.gz ZSIPPXDOHQRMDG-NSHDSACASA-N 1 0 384.274 1.744 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1nc(C2CC2)cs1 ZINC000189734189 530919361 /nfs/dbraw/zinc/91/93/61/530919361.db2.gz JLHBQEITZDYNIK-UHFFFAOYSA-N 1 0 383.543 1.874 20 0 GDADRO C[NH+](C)CCNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 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CC[NH+]1CCN([C@H](C)CNC(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000120879554 530946356 /nfs/dbraw/zinc/94/63/56/530946356.db2.gz FEZBQIQYNNHNSM-CQSZACIVSA-N 1 0 399.333 1.143 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000191887647 530956706 /nfs/dbraw/zinc/95/67/06/530956706.db2.gz QCBWUNHEWMUFPJ-SWLSCSKDSA-N 1 0 386.279 1.655 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH2+]C)C2)c(Br)c1 ZINC000122799771 530976214 /nfs/dbraw/zinc/97/62/14/530976214.db2.gz YEXOHLATJSNSIO-LLVKDONJSA-N 1 0 391.287 1.608 20 0 GDADRO Cc1nc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)ccc1Br ZINC000192923674 530976236 /nfs/dbraw/zinc/97/62/36/530976236.db2.gz IQXLQOXVJDPAQN-NSHDSACASA-N 1 0 383.290 1.939 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NCC2CC[NH2+]CC2)cc1Br ZINC000122933921 530977571 /nfs/dbraw/zinc/97/75/71/530977571.db2.gz TYDBJGONVBUZBH-UHFFFAOYSA-N 1 0 393.303 1.744 20 0 GDADRO O=S(=O)(NCC1=CC[NH2+]CC1)c1cccc(I)c1 ZINC000193382835 530985391 /nfs/dbraw/zinc/98/53/91/530985391.db2.gz LWDGTKSZSJLDMB-UHFFFAOYSA-N 1 0 378.235 1.489 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cccc(Br)c2=O)C1 ZINC000193082978 530979028 /nfs/dbraw/zinc/97/90/28/530979028.db2.gz RTRSKWDYDUGGSA-ZDUSSCGKSA-N 1 0 386.290 1.084 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000123150618 530980048 /nfs/dbraw/zinc/98/00/48/530980048.db2.gz VEZVWNBHXOSJFA-OAHLLOKOSA-N 1 0 385.917 1.576 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000123194443 530981062 /nfs/dbraw/zinc/98/10/62/530981062.db2.gz YXSVMGFGXZONIN-AWEZNQCLSA-N 1 0 394.216 1.095 20 0 GDADRO COc1cc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c(OC)cc1Br ZINC000193233990 530981960 /nfs/dbraw/zinc/98/19/60/530981960.db2.gz ICIBDQKEXNUPQT-VIFPVBQESA-N 1 0 379.276 1.497 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000193267838 530983067 /nfs/dbraw/zinc/98/30/67/530983067.db2.gz IHEPDLHGVYTDCV-UONOGXRCSA-N 1 0 388.917 1.985 20 0 GDADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000193278044 530983072 /nfs/dbraw/zinc/98/30/72/530983072.db2.gz MXQRYKUNHJQTLC-SECBINFHSA-N 1 0 378.292 1.541 20 0 GDADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)C1 ZINC000193335397 530984194 /nfs/dbraw/zinc/98/41/94/530984194.db2.gz YEBYNIQXDFMLGN-NSHDSACASA-N 1 0 390.303 1.780 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccnc2Br)C1 ZINC000122284627 530969296 /nfs/dbraw/zinc/96/92/96/530969296.db2.gz MEAAMOSNMVWOLP-YPMHNXCESA-N 1 0 381.274 1.725 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000193655579 530991773 /nfs/dbraw/zinc/99/17/73/530991773.db2.gz COVRVXWFEUFQJV-RISCZKNCSA-N 1 0 393.285 1.806 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000193800547 530993538 /nfs/dbraw/zinc/99/35/38/530993538.db2.gz RGDPDKKWOGFRDB-UHFFFAOYSA-N 1 0 398.261 1.298 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000193558527 530989205 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ZINC000291706991 531309158 /nfs/dbraw/zinc/30/91/58/531309158.db2.gz HADMNOHCYGZCFQ-LLVKDONJSA-N 1 0 382.306 1.482 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1nc2ncc(Br)cn2n1 ZINC000277763223 531309983 /nfs/dbraw/zinc/30/99/83/531309983.db2.gz CZMWTBDHBVHCMZ-LBPRGKRZSA-N 1 0 379.262 1.634 20 0 GDADRO C[NH+](C)CCCN(C(=O)[C@H](O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000291849771 531317309 /nfs/dbraw/zinc/31/73/09/531317309.db2.gz FYCCJSRWQJKECV-HZPDHXFCSA-N 1 0 388.917 1.341 20 0 GDADRO CSc1ccc(OC[C@H](O)C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC000411348561 531317620 /nfs/dbraw/zinc/31/76/20/531317620.db2.gz KWBJQRMYFYOCLX-OAHLLOKOSA-N 1 0 388.555 1.504 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000527224062 531319114 /nfs/dbraw/zinc/31/91/14/531319114.db2.gz KBKDKBUZUSBSDI-RISCZKNCSA-N 1 0 383.290 1.617 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000266125510 531313309 /nfs/dbraw/zinc/31/33/09/531313309.db2.gz 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COC(=O)c1cc(Br)cc(S(=O)(=O)NC2(C[NH3+])CCCC2)c1 ZINC000440405501 531337322 /nfs/dbraw/zinc/33/73/22/531337322.db2.gz HUCNRVZXHPYJEM-UHFFFAOYSA-N 1 0 391.287 1.786 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c(F)c1 ZINC000440417672 531337630 /nfs/dbraw/zinc/33/76/30/531337630.db2.gz ZDWHOXWGKZBSPI-CQSZACIVSA-N 1 0 393.506 1.383 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000440418108 531337721 /nfs/dbraw/zinc/33/77/21/531337721.db2.gz RYFQRWVKRQSNPM-LSDHHAIUSA-N 1 0 380.432 1.622 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(S(=O)(=O)NC)s1 ZINC000292157196 531338254 /nfs/dbraw/zinc/33/82/54/531338254.db2.gz ZGAVZTHZRVRIED-LBPRGKRZSA-N 1 0 376.548 1.576 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cc(F)c(F)c(F)c3)C2)CC1 ZINC000266228556 531327695 /nfs/dbraw/zinc/32/76/95/531327695.db2.gz XSKSAYQNLCEBGF-GFCCVEGCSA-N 1 0 377.432 1.504 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC000411643220 531332718 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CO[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2F)[C@H](C[NH3+])C1 ZINC000440854474 531347723 /nfs/dbraw/zinc/34/77/23/531347723.db2.gz KXRQTHCVCVHVDU-UWVGGRQHSA-N 1 0 381.267 1.715 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)N3CCO[C@@H](C[NH3+])C3)CC2=O)ccc1Br ZINC000478713347 531348538 /nfs/dbraw/zinc/34/85/38/531348538.db2.gz CPKWAFDTCSXKBT-OCCSQVGLSA-N 1 0 396.285 1.297 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000292335097 531349320 /nfs/dbraw/zinc/34/93/20/531349320.db2.gz KCDVPZBFVXMHRZ-ZBFHGGJFSA-N 1 0 387.571 1.401 20 0 GDADRO C[N@H+](C[C@@H](O)c1ccc(Br)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292371522 531351582 /nfs/dbraw/zinc/35/15/82/531351582.db2.gz YQJVTHLNNLHRNJ-ZIAGYGMSSA-N 1 0 377.304 1.448 20 0 GDADRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528046096 531340232 /nfs/dbraw/zinc/34/02/32/531340232.db2.gz FBKJGVHXJUAIOC-LBPRGKRZSA-N 1 0 376.404 1.980 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1F ZINC000528050354 531340515 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[NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CCO1 ZINC000478612949 531345857 /nfs/dbraw/zinc/34/58/57/531345857.db2.gz ZPHOJIUMLNXDNQ-LURJTMIESA-N 1 0 375.697 1.512 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(OC)cc1Br ZINC000440830446 531346168 /nfs/dbraw/zinc/34/61/68/531346168.db2.gz GATFCBLHKHQJKL-UWVGGRQHSA-N 1 0 393.303 1.824 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000440818695 531346200 /nfs/dbraw/zinc/34/62/00/531346200.db2.gz UUFQPWDOPIMZLZ-XJKSGUPXSA-N 1 0 389.543 1.136 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000440814360 531346245 /nfs/dbraw/zinc/34/62/45/531346245.db2.gz YRADUSUFOCXRFH-ZJUUUORDSA-N 1 0 380.388 1.863 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000440822718 531346266 /nfs/dbraw/zinc/34/62/66/531346266.db2.gz KZKAJRNVDMBXMP-CQSZACIVSA-N 1 0 389.543 1.138 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000440826391 531346318 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O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC000278400543 531358559 /nfs/dbraw/zinc/35/85/59/531358559.db2.gz QPVGQWDEAKJVHA-CVEARBPZSA-N 1 0 393.336 1.623 20 0 GDADRO O=C(c1ccc2ncc(I)n2c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292432714 531353951 /nfs/dbraw/zinc/35/39/51/531353951.db2.gz IYVVJVLZZRIQCW-JQWIXIFHSA-N 1 0 396.232 1.763 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000278348969 531354623 /nfs/dbraw/zinc/35/46/23/531354623.db2.gz VTTRXQCSDMXFFK-ONGXEEELSA-N 1 0 384.221 1.809 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(I)c[nH]2)CCCO1 ZINC000278507564 531365489 /nfs/dbraw/zinc/36/54/89/531365489.db2.gz LXUOPWREWBVHQD-NSHDSACASA-N 1 0 391.253 1.850 20 0 GDADRO O=C(c1cccn2c(I)cnc12)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000292538176 531361287 /nfs/dbraw/zinc/36/12/87/531361287.db2.gz RQRYKQRGFGTNHH-CMPLNLGQSA-N 1 0 396.232 1.763 20 0 GDADRO Cn1cc(Br)c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000292565582 531362963 /nfs/dbraw/zinc/36/29/63/531362963.db2.gz HAELICXGAILHIN-UHFFFAOYSA-N 1 0 378.274 1.972 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000528700561 531373277 /nfs/dbraw/zinc/37/32/77/531373277.db2.gz JSOWKOCJZAODCS-LBPRGKRZSA-N 1 0 391.896 1.558 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000480200613 531368562 /nfs/dbraw/zinc/36/85/62/531368562.db2.gz VNOSWAADOKMPTL-MNOVXSKESA-N 1 0 381.420 1.244 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000412413281 531368833 /nfs/dbraw/zinc/36/88/33/531368833.db2.gz FXIQVKPZTFHHKJ-UHFFFAOYSA-N 1 0 381.523 1.617 20 0 GDADRO O=C(Nc1ccncc1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528685564 531370863 /nfs/dbraw/zinc/37/08/63/531370863.db2.gz NHMULPHJQMGYQT-CYBMUJFWSA-N 1 0 383.290 1.888 20 0 GDADRO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)sc1S(N)(=O)=O ZINC000442289671 531372011 /nfs/dbraw/zinc/37/20/11/531372011.db2.gz ZQONVFZXVZKFBI-SECBINFHSA-N 1 0 389.524 1.498 20 0 GDADRO 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/nfs/dbraw/zinc/39/23/22/531392322.db2.gz CRCMHTBTLAKTFL-QGZVFWFLSA-N 1 0 383.539 1.294 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2nc3ncc(Br)cn3n2)CCSC1 ZINC000267059262 531392536 /nfs/dbraw/zinc/39/25/36/531392536.db2.gz BKTWZCOVIJKAJX-CYBMUJFWSA-N 1 0 385.291 1.054 20 0 GDADRO CON(C)S(=O)(=O)c1cccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000267056367 531392849 /nfs/dbraw/zinc/39/28/49/531392849.db2.gz ARSARAYUIFAIEF-MRXNPFEDSA-N 1 0 387.527 1.036 20 0 GDADRO C[NH+](C)CCn1nnnc1SCc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000412993484 531393145 /nfs/dbraw/zinc/39/31/45/531393145.db2.gz OTUPZJRTKRBVLL-UHFFFAOYSA-N 1 0 377.499 1.726 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000442916274 531380508 /nfs/dbraw/zinc/38/05/08/531380508.db2.gz ARGLQUHZQWLGGJ-GFCCVEGCSA-N 1 0 390.303 1.311 20 0 GDADRO C[NH+](C)Cc1ccnc(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000482329866 531397634 /nfs/dbraw/zinc/39/76/34/531397634.db2.gz SRQRPNYIIXFKLM-UHFFFAOYSA-N 1 0 388.902 1.775 20 0 GDADRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(C)C ZINC000444175991 531397608 /nfs/dbraw/zinc/39/76/08/531397608.db2.gz NARKAAKVZUXSHN-UHFFFAOYSA-N 1 0 377.894 1.213 20 0 GDADRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000444175246 531397682 /nfs/dbraw/zinc/39/76/82/531397682.db2.gz JPEPRWDCIHBDBW-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000278877456 531397920 /nfs/dbraw/zinc/39/79/20/531397920.db2.gz VWPOXXWWDVSARK-UHFFFAOYSA-N 1 0 375.922 1.607 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(I)cc1 ZINC000530544448 531398088 /nfs/dbraw/zinc/39/80/88/531398088.db2.gz VIEMJHSFBXYVKE-LLVKDONJSA-N 1 0 380.251 1.664 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCSC1 ZINC000267123792 531399614 /nfs/dbraw/zinc/39/96/14/531399614.db2.gz QEVFPPVUEHBBHB-MRXNPFEDSA-N 1 0 389.518 1.048 20 0 GDADRO COc1ccc(C[C@H](C)[NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)cc1 ZINC000482525016 531400034 /nfs/dbraw/zinc/40/00/34/531400034.db2.gz QLTDUJKTLYAFCV-NSHDSACASA-N 1 0 385.511 1.665 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000482538947 531400397 /nfs/dbraw/zinc/40/03/97/531400397.db2.gz UJPRWUURTWCCCH-UHFFFAOYSA-N 1 0 381.479 1.501 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000278901816 531400628 /nfs/dbraw/zinc/40/06/28/531400628.db2.gz YSCURKMZDUFKFK-CQSZACIVSA-N 1 0 376.906 1.864 20 0 GDADRO CC(=O)Nc1cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1F ZINC000267134252 531401920 /nfs/dbraw/zinc/40/19/20/531401920.db2.gz IMCOMBGPSRRUQY-HNNXBMFYSA-N 1 0 375.491 1.500 20 0 GDADRO Cn1nnnc1SCCC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482828070 531404074 /nfs/dbraw/zinc/40/40/74/531404074.db2.gz RQEOEIVEEAYFSP-UHFFFAOYSA-N 1 0 384.575 1.560 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@@H]2C)cc[nH+]1 ZINC000349615834 531404715 /nfs/dbraw/zinc/40/47/15/531404715.db2.gz NOFCHBHYWFOJRJ-SWLSCSKDSA-N 1 0 375.516 1.052 20 0 GDADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(N3CCOC3=O)cc2)CCSC1 ZINC000267167291 531406496 /nfs/dbraw/zinc/40/64/96/531406496.db2.gz KMZLFBGYBATARI-INIZCTEOSA-N 1 0 385.511 1.359 20 0 GDADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000482236311 531395860 /nfs/dbraw/zinc/39/58/60/531395860.db2.gz HVLKOTFRKQSJBQ-YOEHRIQHSA-N 1 0 387.885 1.953 20 0 GDADRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000483264623 531409860 /nfs/dbraw/zinc/40/98/60/531409860.db2.gz WLYBCIPQFZDCCL-PEYYIBSZSA-N 1 0 392.265 1.800 20 0 GDADRO Cn1ncc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1I ZINC000293286261 531414049 /nfs/dbraw/zinc/41/40/49/531414049.db2.gz HTRWGTWLNISGJV-ZYHUDNBSSA-N 1 0 388.253 1.581 20 0 GDADRO Cc1cc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)ccc1S(N)(=O)=O ZINC000447037908 531414376 /nfs/dbraw/zinc/41/43/76/531414376.db2.gz LZUOIPCCQDPBPX-HNNXBMFYSA-N 1 0 381.885 1.482 20 0 GDADRO Cc1c(Cl)c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)sc1S(N)(=O)=O ZINC000279126221 531414494 /nfs/dbraw/zinc/41/44/94/531414494.db2.gz DKZYRUSBZJHQKE-SECBINFHSA-N 1 0 379.935 1.819 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(C)c2I)[C@@H](C)C1 ZINC000293315369 531414809 /nfs/dbraw/zinc/41/48/09/531414809.db2.gz XPLULGUMBTVPSI-JQWIXIFHSA-N 1 0 390.269 1.827 20 0 GDADRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)sc1S(N)(=O)=O ZINC000447089671 531415146 /nfs/dbraw/zinc/41/51/46/531415146.db2.gz JNIAKJZATGTVFW-GHMZBOCLSA-N 1 0 375.516 1.254 20 0 GDADRO COc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)sc1S(N)(=O)=O ZINC000447090991 531415415 /nfs/dbraw/zinc/41/54/15/531415415.db2.gz NTYNMTMOQXUWNF-GFCCVEGCSA-N 1 0 389.543 1.646 20 0 GDADRO O=C(COc1ccc(I)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293442632 531422531 /nfs/dbraw/zinc/42/25/31/531422531.db2.gz OYDBNQCVDUNFMO-RISCZKNCSA-N 1 0 386.233 1.880 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000447247579 531423116 /nfs/dbraw/zinc/42/31/16/531423116.db2.gz JCAMUXJRZLIUSM-VHSXEESVSA-N 1 0 380.388 1.850 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)COc2c(Cl)cccc2Cl)CC[N@H+](C)C1 ZINC000413920620 531423733 /nfs/dbraw/zinc/42/37/33/531423733.db2.gz NLZQRUNGFXWGQR-NSHDSACASA-N 1 0 375.252 1.935 20 0 GDADRO C[C@H](CC[NH3+])NS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000447253670 531424015 /nfs/dbraw/zinc/42/40/15/531424015.db2.gz AIBCEUIYBMZUGS-RXMQYKEDSA-N 1 0 398.666 1.965 20 0 GDADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000293522965 531425988 /nfs/dbraw/zinc/42/59/88/531425988.db2.gz SWMDPZCHRDPPTO-UHFFFAOYSA-N 1 0 390.889 1.252 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1 ZINC000447249235 531423333 /nfs/dbraw/zinc/42/33/33/531423333.db2.gz LODOZYNZPKNEFK-PWSUYJOCSA-N 1 0 379.404 1.337 20 0 GDADRO CNS(=O)(=O)[C@H]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000533545456 531430970 /nfs/dbraw/zinc/43/09/70/531430970.db2.gz HVVJFBJIAALVDJ-MNOVXSKESA-N 1 0 383.297 1.357 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000414125049 531431715 /nfs/dbraw/zinc/43/17/15/531431715.db2.gz PXYMRYMLSZMVRW-HOCLYGCPSA-N 1 0 386.334 1.682 20 0 GDADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)COC1CCOCC1 ZINC000485131349 531429349 /nfs/dbraw/zinc/42/93/49/531429349.db2.gz ITZQYPNJFWZTOY-GFCCVEGCSA-N 1 0 394.331 1.861 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)c(OC)c1 ZINC000534164799 531434983 /nfs/dbraw/zinc/43/49/83/531434983.db2.gz WXGCWTATPWYMGG-UHFFFAOYSA-N 1 0 393.531 1.029 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000485444485 531433257 /nfs/dbraw/zinc/43/32/57/531433257.db2.gz SHTTXAWRDQKTJL-ZDUSSCGKSA-N 1 0 389.905 1.691 20 0 GDADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000293628403 531433286 /nfs/dbraw/zinc/43/32/86/531433286.db2.gz HKCUGWMLIUMBHB-UHFFFAOYSA-N 1 0 381.274 1.824 20 0 GDADRO Cc1c(Cl)c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)sc1S(N)(=O)=O ZINC000279507355 531437910 /nfs/dbraw/zinc/43/79/10/531437910.db2.gz TZEUOTLMHJGYQE-SCZZXKLOSA-N 1 0 379.935 1.770 20 0 GDADRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414361882 531443264 /nfs/dbraw/zinc/44/32/64/531443264.db2.gz UFGAHMKQHKHTJB-WDEREUQCSA-N 1 0 390.303 1.230 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)s1 ZINC000414364796 531444785 /nfs/dbraw/zinc/44/47/85/531444785.db2.gz JNTBPABLGGOFCD-JKSUJKDBSA-N 1 0 380.535 1.877 20 0 GDADRO C[C@@H]1CN(C(=O)Cn2cc(Br)cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000486047253 531445090 /nfs/dbraw/zinc/44/50/90/531445090.db2.gz SVCVIGPWWGNYCD-HIFRSBDPSA-N 1 0 384.322 1.130 20 0 GDADRO Cc1cc(Br)ccc1CC(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC000361070971 531445240 /nfs/dbraw/zinc/44/52/40/531445240.db2.gz ZBVKIEUIUKKYDD-UHFFFAOYSA-N 1 0 396.329 1.923 20 0 GDADRO Cc1nn(C)c(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1Br ZINC000279799610 531454683 /nfs/dbraw/zinc/45/46/83/531454683.db2.gz JPTAIYRSLWIIKQ-CYBMUJFWSA-N 1 0 384.322 1.229 20 0 GDADRO C[C@H](NC(=O)c1csc(CC[NH3+])n1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000279858811 531457564 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COC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1Br ZINC000415315134 531474948 /nfs/dbraw/zinc/47/49/48/531474948.db2.gz LCOVOOAVPDEZCX-VIFPVBQESA-N 1 0 384.230 1.042 20 0 GDADRO Cn1ncc(Br)c1C[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000487573366 531475132 /nfs/dbraw/zinc/47/51/32/531475132.db2.gz MKALFINWTCJFBQ-UHFFFAOYSA-N 1 0 398.305 1.917 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(F)(F)F ZINC000449729009 531475129 /nfs/dbraw/zinc/47/51/29/531475129.db2.gz YGLDVZZUJIHKFB-CYBMUJFWSA-N 1 0 379.404 1.481 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415331220 531475385 /nfs/dbraw/zinc/47/53/85/531475385.db2.gz OZCRNGHBYIOZRI-SECBINFHSA-N 1 0 376.240 1.435 20 0 GDADRO O=C(Nc1ccccc1-n1cc(Br)cn1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415328437 531475882 /nfs/dbraw/zinc/47/58/82/531475882.db2.gz LYKWFJKMEOSGNT-LLVKDONJSA-N 1 0 378.230 1.051 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415341693 531476642 /nfs/dbraw/zinc/47/66/42/531476642.db2.gz PIULUBWYHRKPRS-JTQLQIEISA-N 1 0 377.242 1.756 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)nn1-c1ccc(Cl)cc1Cl ZINC000415337684 531476992 /nfs/dbraw/zinc/47/69/92/531476992.db2.gz YABXINWDZWXRLX-LLVKDONJSA-N 1 0 382.251 1.904 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)sc2c1CCCS2 ZINC000415332361 531477020 /nfs/dbraw/zinc/47/70/20/531477020.db2.gz PYEYPIIHEKJJQJ-VIFPVBQESA-N 1 0 383.495 1.380 20 0 GDADRO COC(=O)c1c(Br)ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1C ZINC000415346180 531477265 /nfs/dbraw/zinc/47/72/65/531477265.db2.gz RBGGYCAWMQEUAH-SECBINFHSA-N 1 0 398.257 1.303 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362233262 531458342 /nfs/dbraw/zinc/45/83/42/531458342.db2.gz ACQKYGBUMVFBER-UKRRQHHQSA-N 1 0 385.306 1.792 20 0 GDADRO CSC[C@H](CCO)NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414937892 531463794 /nfs/dbraw/zinc/46/37/94/531463794.db2.gz XTGDQMSPDMOZIL-NSHDSACASA-N 1 0 379.404 1.333 20 0 GDADRO C[NH+]1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)CO)CC1 ZINC000448971660 531463967 /nfs/dbraw/zinc/46/39/67/531463967.db2.gz VIPRUFAIVZQHKI-UHFFFAOYSA-N 1 0 388.281 1.157 20 0 GDADRO CCOc1cc(CNCC[NH2+]C)cc(Br)c1OCC(=O)N(C)C ZINC000414833518 531464097 /nfs/dbraw/zinc/46/40/97/531464097.db2.gz SJHRLTUPGLUGJH-UHFFFAOYSA-N 1 0 388.306 1.624 20 0 GDADRO COCC[NH2+]CCNCc1cc(I)c(OC)c(OC)c1 ZINC000414866277 531464716 /nfs/dbraw/zinc/46/47/16/531464716.db2.gz AFZLTWDXDOIXDK-UHFFFAOYSA-N 1 0 394.253 1.634 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000486991282 531466091 /nfs/dbraw/zinc/46/60/91/531466091.db2.gz UTEXBEPNQVPXGW-INIZCTEOSA-N 1 0 375.535 1.360 20 0 GDADRO C[C@](O)(CN1CC[C@@H](S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000294215961 531467107 /nfs/dbraw/zinc/46/71/07/531467107.db2.gz SBNQRHAXNAPYBL-RISCZKNCSA-N 1 0 380.279 1.915 20 0 GDADRO COc1ccc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000415166920 531467137 /nfs/dbraw/zinc/46/71/37/531467137.db2.gz GTMISVHYKCGZIJ-ZDUSSCGKSA-N 1 0 383.290 1.969 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000487083195 531467601 /nfs/dbraw/zinc/46/76/01/531467601.db2.gz GMMPCPBJAJAUHC-UHFFFAOYSA-N 1 0 386.290 1.738 20 0 GDADRO COC(=O)Cn1cc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)nn1 ZINC000449153181 531467937 /nfs/dbraw/zinc/46/79/37/531467937.db2.gz IRMGXQUSZXPHLU-GFCCVEGCSA-N 1 0 394.273 1.582 20 0 GDADRO CS(=O)(=O)Nc1ccc(NC(=O)NCCCN2CC[NH2+]CC2)cc1Cl ZINC000415201477 531468012 /nfs/dbraw/zinc/46/80/12/531468012.db2.gz LGMLIKFYGLXGKY-UHFFFAOYSA-N 1 0 389.909 1.128 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2I)CCO1 ZINC000415243127 531468216 /nfs/dbraw/zinc/46/82/16/531468216.db2.gz VEHLXDHEFUFQFO-SSDOTTSWSA-N 1 0 397.163 1.761 20 0 GDADRO [NH3+]CC[C@H](NC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1)C(F)F ZINC000415208467 531468501 /nfs/dbraw/zinc/46/85/01/531468501.db2.gz BZWYIYALDHLMPY-ZDUSSCGKSA-N 1 0 376.429 1.479 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCC(=O)N1 ZINC000449293957 531468510 /nfs/dbraw/zinc/46/85/10/531468510.db2.gz WZLBOSNYWQJAHK-SMDDNHRTSA-N 1 0 398.301 1.721 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCC(=O)N1 ZINC000449293954 531468780 /nfs/dbraw/zinc/46/87/80/531468780.db2.gz WZLBOSNYWQJAHK-BXUZGUMPSA-N 1 0 398.301 1.721 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000415261905 531469378 /nfs/dbraw/zinc/46/93/78/531469378.db2.gz FBVFJSBWSFUHMO-NSHDSACASA-N 1 0 387.221 1.488 20 0 GDADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000449374593 531469523 /nfs/dbraw/zinc/46/95/23/531469523.db2.gz FTHHZBAOXHENNY-CHWSQXEVSA-N 1 0 377.304 1.556 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000415272089 531470205 /nfs/dbraw/zinc/47/02/05/531470205.db2.gz PDCCLHMCCYMRSP-CYBMUJFWSA-N 1 0 395.301 1.938 20 0 GDADRO [NH3+]CCN(CCO)C(=O)Nc1cc(I)ccc1Cl ZINC000415267147 531470209 /nfs/dbraw/zinc/47/02/09/531470209.db2.gz LWZWVPJGBKTCNX-UHFFFAOYSA-N 1 0 383.617 1.730 20 0 GDADRO C[N@H+](CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000363096235 531471855 /nfs/dbraw/zinc/47/18/55/531471855.db2.gz KDPOGGFJFQHUQV-GFCCVEGCSA-N 1 0 391.946 1.765 20 0 GDADRO CCN1C[C@H]([NH2+]Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)CC1=O ZINC000449522126 531472138 /nfs/dbraw/zinc/47/21/38/531472138.db2.gz VXTJWHXJNSCRKE-BXUZGUMPSA-N 1 0 398.301 1.673 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc(F)c1F ZINC000268080386 531472221 /nfs/dbraw/zinc/47/22/21/531472221.db2.gz VHMDCJRNMDVIDY-HNNXBMFYSA-N 1 0 394.465 1.467 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(c(Br)c1)OCO2 ZINC000363103268 531472963 /nfs/dbraw/zinc/47/29/63/531472963.db2.gz FYPYKFCYAUGEHP-RYUDHWBXSA-N 1 0 383.242 1.771 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)cc1C(=O)OCC ZINC000415362356 531479062 /nfs/dbraw/zinc/47/90/62/531479062.db2.gz BCCKMGDRXYGEDT-UHFFFAOYSA-N 1 0 386.246 1.290 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415360079 531479346 /nfs/dbraw/zinc/47/93/46/531479346.db2.gz LQRLQCRWQBWWAX-NSHDSACASA-N 1 0 381.274 1.870 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)CC1=O ZINC000363301468 531479564 /nfs/dbraw/zinc/47/95/64/531479564.db2.gz JPZCPVKZCZMUIB-OLZOCXBDSA-N 1 0 385.917 1.712 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(F)c1I ZINC000415369177 531479623 /nfs/dbraw/zinc/47/96/23/531479623.db2.gz BJNSEPXEYPQOTP-MRVPVSSYSA-N 1 0 391.184 1.237 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000415369996 531479698 /nfs/dbraw/zinc/47/96/98/531479698.db2.gz DARBNPIGEOMAPG-NSHDSACASA-N 1 0 399.289 1.078 20 0 GDADRO CC[NH+]1CCN(CC(=O)N[C@H](C(=O)OC)c2ccc(Cl)cc2Cl)CC1 ZINC000543302449 531479741 /nfs/dbraw/zinc/47/97/41/531479741.db2.gz CPXCVOXKRILGTE-INIZCTEOSA-N 1 0 388.295 1.961 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415394608 531482297 /nfs/dbraw/zinc/48/22/97/531482297.db2.gz MNWDLGISRZDZCA-MRVPVSSYSA-N 1 0 376.201 1.734 20 0 GDADRO Cc1cc(F)c(NC(=O)N2CCO[C@@H](C[NH3+])C2)c(I)c1 ZINC000415393656 531482385 /nfs/dbraw/zinc/48/23/85/531482385.db2.gz PMHTYXYDERPCCH-VIFPVBQESA-N 1 0 393.200 1.930 20 0 GDADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000415396741 531482452 /nfs/dbraw/zinc/48/24/52/531482452.db2.gz UWQYHQZLGXPKIU-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415404682 531483415 /nfs/dbraw/zinc/48/34/15/531483415.db2.gz BIORDWCFDBERSA-SECBINFHSA-N 1 0 375.210 1.201 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)CC[NH2+]C ZINC000415552623 531493394 /nfs/dbraw/zinc/49/33/94/531493394.db2.gz ZRRIEGFGUHLCQM-UHFFFAOYSA-N 1 0 376.226 1.603 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H](C)CC[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000415552853 531493402 /nfs/dbraw/zinc/49/34/02/531493402.db2.gz NSLSYOOHQFKNNG-SECBINFHSA-N 1 0 384.267 2.280 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415548652 531493636 /nfs/dbraw/zinc/49/36/36/531493636.db2.gz FNMGIFYVSMAGKI-ZETCQYMHSA-N 1 0 395.628 1.737 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000268227810 531486815 /nfs/dbraw/zinc/48/68/15/531486815.db2.gz RSCRLIMHDAATAL-NSHDSACASA-N 1 0 378.416 1.685 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1Br ZINC000415442162 531486909 /nfs/dbraw/zinc/48/69/09/531486909.db2.gz GLAWDCBSMKRITC-LLVKDONJSA-N 1 0 386.246 1.258 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc2c(Br)ccnc12)C1CC1 ZINC000415448948 531487027 /nfs/dbraw/zinc/48/70/27/531487027.db2.gz IRGZRRQKPCJIKC-CYBMUJFWSA-N 1 0 377.242 1.789 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)C1 ZINC000545158838 531489089 /nfs/dbraw/zinc/48/90/89/531489089.db2.gz TTXYRPCXARTTJS-KRWDZBQOSA-N 1 0 383.539 1.939 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000415470680 531489903 /nfs/dbraw/zinc/48/99/03/531489903.db2.gz ONBCTTWZCOIMGT-LLVKDONJSA-N 1 0 383.239 1.462 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415472851 531489994 /nfs/dbraw/zinc/48/99/94/531489994.db2.gz ZJYPDVCZPJKZAD-QMMMGPOBSA-N 1 0 390.209 1.566 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000415479845 531490136 /nfs/dbraw/zinc/49/01/36/531490136.db2.gz SFFWQULHTAVBES-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)cc1Br ZINC000415502984 531490552 /nfs/dbraw/zinc/49/05/52/531490552.db2.gz VWVDSHLXGUPINC-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000415494372 531490633 /nfs/dbraw/zinc/49/06/33/531490633.db2.gz ZJIZHSSWTASVHJ-MNOVXSKESA-N 1 0 382.258 1.749 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1S(=O)(=O)CC ZINC000415506185 531490938 /nfs/dbraw/zinc/49/09/38/531490938.db2.gz ZIMPIIVQUDQXDY-LBPRGKRZSA-N 1 0 389.905 1.706 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415500672 531491027 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CC[NH2+][C@H](C)CNC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000415669467 531511789 /nfs/dbraw/zinc/51/17/89/531511789.db2.gz HTMMUTGQBOXCHM-LLVKDONJSA-N 1 0 386.294 1.800 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2I)CC[NH2+]1 ZINC000415667838 531512158 /nfs/dbraw/zinc/51/21/58/531512158.db2.gz YQSJUTGWPDFCQL-NXEZZACHSA-N 1 0 387.221 1.486 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415687608 531513613 /nfs/dbraw/zinc/51/36/13/531513613.db2.gz JDGIATPGLZATBS-AWEZNQCLSA-N 1 0 376.201 1.863 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000295031783 531515222 /nfs/dbraw/zinc/51/52/22/531515222.db2.gz LSIPZYZUKZDNAJ-CYBMUJFWSA-N 1 0 377.304 1.801 20 0 GDADRO COC(=O)c1cc(NC(=O)NC[C@H]2C[NH2+]CCN2C)c(C)cc1Br ZINC000415707681 531516944 /nfs/dbraw/zinc/51/69/44/531516944.db2.gz NBFNPSQKJHMDHF-LLVKDONJSA-N 1 0 399.289 1.569 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415704681 531517245 /nfs/dbraw/zinc/51/72/45/531517245.db2.gz HDQWQVBXSQZYAI-AWEZNQCLSA-N 1 0 395.301 1.202 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415552898 531493961 /nfs/dbraw/zinc/49/39/61/531493961.db2.gz OCHJEBLEAJUFJW-UHFFFAOYSA-N 1 0 381.274 1.693 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000415549174 531493987 /nfs/dbraw/zinc/49/39/87/531493987.db2.gz GLFAADPPVBENPC-UHFFFAOYSA-N 1 0 396.285 1.998 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1I ZINC000415557985 531494495 /nfs/dbraw/zinc/49/44/95/531494495.db2.gz INWAPIKGVKNXHN-UHFFFAOYSA-N 1 0 387.221 1.536 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415554549 531494629 /nfs/dbraw/zinc/49/46/29/531494629.db2.gz HEUUFUHJSCLMFN-WDEREUQCSA-N 1 0 384.274 1.995 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCCC[NH3+])cc1I ZINC000415560141 531494657 /nfs/dbraw/zinc/49/46/57/531494657.db2.gz GMJIEUTUHUQJOB-UHFFFAOYSA-N 1 0 375.210 1.393 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415554547 531494680 /nfs/dbraw/zinc/49/46/80/531494680.db2.gz HEUUFUHJSCLMFN-MNOVXSKESA-N 1 0 384.274 1.995 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(I)cn2)CC1 ZINC000450387745 531495406 /nfs/dbraw/zinc/49/54/06/531495406.db2.gz JMGYIGQPUJWTLL-UHFFFAOYSA-N 1 0 388.253 1.287 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Br)ccc2-n2cccn2)CCC1 ZINC000415563010 531495409 /nfs/dbraw/zinc/49/54/09/531495409.db2.gz QSFYAXDBTFNJAN-UHFFFAOYSA-N 1 0 392.257 1.571 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)C2CC2)cc1C(F)(F)F ZINC000556379185 531495565 /nfs/dbraw/zinc/49/55/65/531495565.db2.gz ZXYQPLNZMUZXRP-UHFFFAOYSA-N 1 0 380.388 1.865 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc3cc(Br)cnc32)CCC1 ZINC000415560867 531495576 /nfs/dbraw/zinc/49/55/76/531495576.db2.gz MUIVHJOIIULQRN-UHFFFAOYSA-N 1 0 377.242 1.933 20 0 GDADRO COCCOC[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000450498097 531495935 /nfs/dbraw/zinc/49/59/35/531495935.db2.gz FGSNXTUQDUVROE-KRWDZBQOSA-N 1 0 387.318 1.591 20 0 GDADRO COC(=O)C[C@H]1CSCCN1CCC[N@@H+]1CCSC[C@@H]1CC(=O)OC ZINC000489289811 531496000 /nfs/dbraw/zinc/49/60/00/531496000.db2.gz KFYPJCCXGYOMHM-GJZGRUSLSA-N 1 0 390.571 1.338 20 0 GDADRO CC(C)OCCS(=O)(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450452823 531496239 /nfs/dbraw/zinc/49/62/39/531496239.db2.gz KTJHIQOVFJEQIA-GOSISDBHSA-N 1 0 375.579 1.622 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2I)C1 ZINC000415572121 531496437 /nfs/dbraw/zinc/49/64/37/531496437.db2.gz MZXWYWBAMVDWFI-NXEZZACHSA-N 1 0 387.221 1.425 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2C[NH2+]CCC2(F)F)s1 ZINC000581547544 531498249 /nfs/dbraw/zinc/49/82/49/531498249.db2.gz IISNHDCFZFGYOL-RYUDHWBXSA-N 1 0 393.481 1.323 20 0 GDADRO Cn1ncc(C(=O)N2CCC(CC[NH+](C)C)CC2)c1I ZINC000294792177 531498390 /nfs/dbraw/zinc/49/83/90/531498390.db2.gz OJXRRCHZVLLXMS-UHFFFAOYSA-N 1 0 390.269 1.829 20 0 GDADRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000547884217 531498958 /nfs/dbraw/zinc/49/89/58/531498958.db2.gz KJVWBVGRBSHDNE-KGLIPLIRSA-N 1 0 382.258 1.741 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCn1ccnc1 ZINC000294825227 531499465 /nfs/dbraw/zinc/49/94/65/531499465.db2.gz RWIMLRXUZSCKKZ-GFCCVEGCSA-N 1 0 381.274 1.949 20 0 GDADRO Cc1cc(Br)oc1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000363649857 531499473 /nfs/dbraw/zinc/49/94/73/531499473.db2.gz ATFVAZCKSXSXIE-LBPRGKRZSA-N 1 0 384.274 1.905 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415595758 531500133 /nfs/dbraw/zinc/50/01/33/531500133.db2.gz HSFSPURPUVWACE-ZCFIWIBFSA-N 1 0 384.152 1.750 20 0 GDADRO COCCOCC[N@H+](C)CCC(=O)Nc1cc(Br)cn(C)c1=O ZINC000635659587 531500684 /nfs/dbraw/zinc/50/06/84/531500684.db2.gz FJQQRKDCYFCVTR-UHFFFAOYSA-N 1 0 390.278 1.071 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]CCCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000581603289 531500915 /nfs/dbraw/zinc/50/09/15/531500915.db2.gz RHSNUZOJNBSFCL-UHFFFAOYSA-N 1 0 382.404 1.399 20 0 GDADRO COC(=O)c1cccc(NC(=O)N2CCCO[C@H](C[NH3+])C2)c1Br ZINC000415614943 531502318 /nfs/dbraw/zinc/50/23/18/531502318.db2.gz PUFZTHVIXOXHAM-SNVBAGLBSA-N 1 0 386.246 1.817 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415613438 531502393 /nfs/dbraw/zinc/50/23/93/531502393.db2.gz AHADXZDTSPYISA-CPCISQLKSA-N 1 0 376.201 1.780 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635708771 531502497 /nfs/dbraw/zinc/50/24/97/531502497.db2.gz XUNLBSAFASSYDW-GFCCVEGCSA-N 1 0 389.905 1.132 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363710289 531503915 /nfs/dbraw/zinc/50/39/15/531503915.db2.gz CEJYEYSMKWBXFT-ZFWWWQNUSA-N 1 0 385.917 1.704 20 0 GDADRO COC(=O)c1cccc(NC(=O)NCCCN2CC[NH2+]CC2)c1Br ZINC000415617623 531505185 /nfs/dbraw/zinc/50/51/85/531505185.db2.gz VLLDIFIHGOXFGD-UHFFFAOYSA-N 1 0 399.289 1.653 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415620011 531505334 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ZINC000557012195 531507628 /nfs/dbraw/zinc/50/76/28/531507628.db2.gz WBYVSUMYDCMHKT-LBPRGKRZSA-N 1 0 384.278 1.506 20 0 GDADRO C[C@H](CCNC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O)[NH+](C)C ZINC000658424627 531508522 /nfs/dbraw/zinc/50/85/22/531508522.db2.gz OQFIXFVPTGCASK-SNVBAGLBSA-N 1 0 375.878 1.138 20 0 GDADRO C[C@@](C[NH3+])(NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1)C1CC1 ZINC000415664334 531509991 /nfs/dbraw/zinc/50/99/91/531509991.db2.gz CTFKNIGKMANJPR-INIZCTEOSA-N 1 0 398.305 1.930 20 0 GDADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc2nccnc2c1Br)[NH+](C)C ZINC000658429838 531510202 /nfs/dbraw/zinc/51/02/02/531510202.db2.gz YDPVJWGBGZYAIB-JTQLQIEISA-N 1 0 394.273 1.787 20 0 GDADRO C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)[C@@H](c1ccccc1)[NH+](C)C ZINC000548432893 531510204 /nfs/dbraw/zinc/51/02/04/531510204.db2.gz DCJBYAYRDQTBKE-PXAZEXFGSA-N 1 0 381.523 1.746 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415661881 531510526 /nfs/dbraw/zinc/51/05/26/531510526.db2.gz UPTQVNMQCCEOCP-XVKPBYJWSA-N 1 0 376.201 1.780 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000415726658 531520526 /nfs/dbraw/zinc/52/05/26/531520526.db2.gz PRADGDMNMLNYRI-KRWDZBQOSA-N 1 0 396.285 1.998 20 0 GDADRO C[C@@H]1C[N@H+](CCO)CCN1c1ncnc2cccc(I)c21 ZINC000450956216 531521078 /nfs/dbraw/zinc/52/10/78/531521078.db2.gz REHMWIHODJMHNJ-LLVKDONJSA-N 1 0 398.248 1.737 20 0 GDADRO C[C@@](O)(C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000581880273 531521739 /nfs/dbraw/zinc/52/17/39/531521739.db2.gz ACGMQKNLVBBWCS-LLVKDONJSA-N 1 0 378.775 1.660 20 0 GDADRO COc1cc(Cl)cc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000295103625 531522144 /nfs/dbraw/zinc/52/21/44/531522144.db2.gz XOJAQEJNLXJFIC-OAHLLOKOSA-N 1 0 388.917 1.930 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1ccc(Cl)cc1I ZINC000450965368 531522763 /nfs/dbraw/zinc/52/27/63/531522763.db2.gz HKNWRYOLEUOKNE-UHFFFAOYSA-N 1 0 388.658 1.785 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415744546 531523403 /nfs/dbraw/zinc/52/34/03/531523403.db2.gz LJCCYXSQFIEJIC-MNOVXSKESA-N 1 0 382.258 1.464 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000415743594 531523880 /nfs/dbraw/zinc/52/38/80/531523880.db2.gz KJWPLVKDSJGKTI-GHMZBOCLSA-N 1 0 382.258 1.464 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CCCO1 ZINC000581997362 531526530 /nfs/dbraw/zinc/52/65/30/531526530.db2.gz ZRJQMFXGAQHFLK-CYBMUJFWSA-N 1 0 386.279 1.454 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(I)cc1C ZINC000415781129 531528221 /nfs/dbraw/zinc/52/82/21/531528221.db2.gz FDOOTFPJYFGVPU-JTQLQIEISA-N 1 0 375.210 1.392 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)C(F)F ZINC000415781260 531528412 /nfs/dbraw/zinc/52/84/12/531528412.db2.gz CUDCYOHPEXWENI-LLVKDONJSA-N 1 0 390.228 1.975 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)cn1 ZINC000280705829 531528615 /nfs/dbraw/zinc/52/86/15/531528615.db2.gz KSFHCGPTTVZIKH-UHFFFAOYSA-N 1 0 389.543 1.420 20 0 GDADRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280704482 531529037 /nfs/dbraw/zinc/52/90/37/531529037.db2.gz LQNMIWDUSKDUMI-SNVBAGLBSA-N 1 0 392.319 1.616 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000636008127 531530130 /nfs/dbraw/zinc/53/01/30/531530130.db2.gz FDNWOAXSPPYOID-GFCCVEGCSA-N 1 0 383.290 1.961 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415790559 531531952 /nfs/dbraw/zinc/53/19/52/531531952.db2.gz PMNGEZGTZWIBGK-VIFPVBQESA-N 1 0 382.180 1.934 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])nn1-c1ccc(Cl)c(Cl)c1 ZINC000415793416 531532137 /nfs/dbraw/zinc/53/21/37/531532137.db2.gz UPCIJWXPPGLCFY-NXEZZACHSA-N 1 0 384.267 2.278 20 0 GDADRO Cc1cc(I)cc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000415718003 531519953 /nfs/dbraw/zinc/51/99/53/531519953.db2.gz ZLBIHQAXXVGKBX-ZDUSSCGKSA-N 1 0 388.253 1.625 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000280763686 531536930 /nfs/dbraw/zinc/53/69/30/531536930.db2.gz QYROWLKCSPJLRY-LLVKDONJSA-N 1 0 375.288 1.926 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415824544 531537431 /nfs/dbraw/zinc/53/74/31/531537431.db2.gz WBPDPDBWFVXWSQ-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659075382 531537942 /nfs/dbraw/zinc/53/79/42/531537942.db2.gz WHGZLKCASMGJRB-MRVPVSSYSA-N 1 0 376.201 1.924 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c2cc(Br)ccc21 ZINC000659084582 531540246 /nfs/dbraw/zinc/54/02/46/531540246.db2.gz JHHQZIVFJAMYIK-TXEJJXNPSA-N 1 0 392.297 1.751 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415834006 531540325 /nfs/dbraw/zinc/54/03/25/531540325.db2.gz KUFYIPGVVXZWFE-DTWKUNHWSA-N 1 0 388.251 1.962 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000659110854 531541468 /nfs/dbraw/zinc/54/14/68/531541468.db2.gz AHHQNSBQVRMAGM-JTQLQIEISA-N 1 0 380.246 1.297 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415842623 531541889 /nfs/dbraw/zinc/54/18/89/531541889.db2.gz XHNFROXMRCGAPA-JQWIXIFHSA-N 1 0 384.274 1.948 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC[C@H]1F ZINC000659107780 531542088 /nfs/dbraw/zinc/54/20/88/531542088.db2.gz AIHMOHXTVOHCAF-ZYHUDNBSSA-N 1 0 388.212 1.375 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000415852808 531543526 /nfs/dbraw/zinc/54/35/26/531543526.db2.gz RRSRXJNHSCIOQR-QWRGUYRKSA-N 1 0 384.274 1.840 20 0 GDADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CCS(=O)(=O)N(C)C)C2)s1 ZINC000558044079 531543929 /nfs/dbraw/zinc/54/39/29/531543929.db2.gz WZASKGYFZHWVFZ-HNNXBMFYSA-N 1 0 387.571 1.618 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)ccc1Br ZINC000415860517 531544941 /nfs/dbraw/zinc/54/49/41/531544941.db2.gz CKGXYFLQUQOYSI-LLVKDONJSA-N 1 0 398.257 1.433 20 0 GDADRO C[N@H+](CCNC(=O)NCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000491002289 531544986 /nfs/dbraw/zinc/54/49/86/531544986.db2.gz SPFFRVYPCHSEFW-UHFFFAOYSA-N 1 0 383.290 1.572 20 0 GDADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NS(=O)(=O)N(C)C ZINC000451089416 531545354 /nfs/dbraw/zinc/54/53/54/531545354.db2.gz MFMPGQCNVZMMPW-LLVKDONJSA-N 1 0 391.335 1.808 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000364230191 531547458 /nfs/dbraw/zinc/54/74/58/531547458.db2.gz QDCFAXCNKRMMPA-HZPDHXFCSA-N 1 0 375.535 1.313 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000659496499 531548090 /nfs/dbraw/zinc/54/80/90/531548090.db2.gz VNZCDCQZPPRISW-SECBINFHSA-N 1 0 383.301 1.179 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c(C)s1 ZINC000659471340 531548528 /nfs/dbraw/zinc/54/85/28/531548528.db2.gz TZWIFKOVJQEHCZ-RISCZKNCSA-N 1 0 388.559 1.412 20 0 GDADRO C[C@H]1C[C@H](NC(=O)c2sccc2S(N)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000612300917 531548804 /nfs/dbraw/zinc/54/88/04/531548804.db2.gz RJMNBTROWGYJTG-JSGCOSHPSA-N 1 0 379.507 1.788 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1Br ZINC000415873137 531548816 /nfs/dbraw/zinc/54/88/16/531548816.db2.gz UHKDXXPIYPKZBR-GHMZBOCLSA-N 1 0 382.258 1.464 20 0 GDADRO COC(=O)CC1([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CCS(=O)(=O)CC1 ZINC000558125278 531549192 /nfs/dbraw/zinc/54/91/92/531549192.db2.gz ZTCFAJGSBJOQNJ-HNNXBMFYSA-N 1 0 389.901 1.344 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000659495755 531549118 /nfs/dbraw/zinc/54/91/18/531549118.db2.gz PGJRJICXWBSPKA-UHFFFAOYSA-N 1 0 397.328 1.650 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000415888925 531550000 /nfs/dbraw/zinc/55/00/00/531550000.db2.gz VVPSTDJYJCAFMQ-UHFFFAOYSA-N 1 0 379.766 1.610 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659675743 531551520 /nfs/dbraw/zinc/55/15/20/531551520.db2.gz WYNRILPXZPYHCI-BLQFLSLASA-N 1 0 380.286 1.365 20 0 GDADRO Cn1cc(Br)cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1=O ZINC000364293671 531551768 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C[NH2+]Cc1cccc(NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 ZINC000415936025 531553217 /nfs/dbraw/zinc/55/32/17/531553217.db2.gz UYKXEWKQJPRDKT-GFCCVEGCSA-N 1 0 382.408 1.350 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc(Br)c1C ZINC000582845198 531555330 /nfs/dbraw/zinc/55/53/30/531555330.db2.gz KUZXBHKZILSENS-NXEZZACHSA-N 1 0 393.303 1.948 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)Oc1ccccc1Br ZINC000659702435 531555687 /nfs/dbraw/zinc/55/56/87/531555687.db2.gz PLMFRGSMOMSFDO-DLGFLZQMSA-N 1 0 396.285 1.282 20 0 GDADRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1I ZINC000268770931 531567699 /nfs/dbraw/zinc/56/76/99/531567699.db2.gz SPJQMMZUPNHHOB-SNVBAGLBSA-N 1 0 382.267 1.881 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(F)c(I)c1 ZINC000268692237 531556629 /nfs/dbraw/zinc/55/66/29/531556629.db2.gz PDOZZWKEDKNHOF-LLVKDONJSA-N 1 0 391.228 1.406 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C2 ZINC000659722808 531557537 /nfs/dbraw/zinc/55/75/37/531557537.db2.gz PJDMCBPJSNEOOA-HZMBPMFUSA-N 1 0 380.286 1.714 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000582921298 531558195 /nfs/dbraw/zinc/55/81/95/531558195.db2.gz VUALYWJLMUKPEF-OCCSQVGLSA-N 1 0 392.518 1.694 20 0 GDADRO CC(C)O[C@]1(CS(=O)(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CCOC1 ZINC000659903779 531567787 /nfs/dbraw/zinc/56/77/87/531567787.db2.gz SHFVVZOXJZNQLM-GOSISDBHSA-N 1 0 376.563 1.953 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000659750017 531559401 /nfs/dbraw/zinc/55/94/01/531559401.db2.gz LSWCINJOSPUNDF-RISCZKNCSA-N 1 0 398.301 1.845 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000659750018 531559890 /nfs/dbraw/zinc/55/98/90/531559890.db2.gz LSWCINJOSPUNDF-SMDDNHRTSA-N 1 0 398.301 1.845 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCSc3ccccc3Br)CCN2C1=O ZINC000582976825 531559908 /nfs/dbraw/zinc/55/99/08/531559908.db2.gz UXRVQPZPUNJYNT-DGCLKSJQSA-N 1 0 398.326 1.702 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)NCCNS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000636528309 531560046 /nfs/dbraw/zinc/56/00/46/531560046.db2.gz YVZAMHMHINIVSP-CYBMUJFWSA-N 1 0 397.328 1.445 20 0 GDADRO C[C@@]1(C(N)=O)CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000280944431 531560373 /nfs/dbraw/zinc/56/03/73/531560373.db2.gz JCDMABZOYQDXGX-MLGOLLRUSA-N 1 0 380.242 1.278 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1ccnn1-c1ccc(F)cc1)N1CCSCC1 ZINC000280943014 531560424 /nfs/dbraw/zinc/56/04/24/531560424.db2.gz QYNOVSFICHGNCW-UHFFFAOYSA-N 1 0 384.502 1.480 20 0 GDADRO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[NH+]1CC(C)C1 ZINC000553176867 531561154 /nfs/dbraw/zinc/56/11/54/531561154.db2.gz XHKXFYPHNZLISY-CQSZACIVSA-N 1 0 385.917 1.513 20 0 GDADRO COc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)nc1I ZINC000280973309 531561835 /nfs/dbraw/zinc/56/18/35/531561835.db2.gz AJOJUWAWIMFWLD-UHFFFAOYSA-N 1 0 389.237 1.909 20 0 GDADRO COc1ccc(Br)cc1C1(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000416160813 531562764 /nfs/dbraw/zinc/56/27/64/531562764.db2.gz PLLHBESJSXEDPZ-AWEZNQCLSA-N 1 0 396.329 1.851 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000558522087 531564815 /nfs/dbraw/zinc/56/48/15/531564815.db2.gz CBDHYTOCFFFMPR-UHFFFAOYSA-N 1 0 394.324 1.826 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000583133739 531565544 /nfs/dbraw/zinc/56/55/44/531565544.db2.gz UCTITSKOKPDILR-KBPBESRZSA-N 1 0 386.543 1.058 20 0 GDADRO COC(=O)[C@H]1CN(C)CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000582712213 531553925 /nfs/dbraw/zinc/55/39/25/531553925.db2.gz SICPVMPQOIPSCV-JTQLQIEISA-N 1 0 388.251 1.495 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)c1ccc(Br)cc1 ZINC000659709216 531554535 /nfs/dbraw/zinc/55/45/35/531554535.db2.gz GXIZBOJULPZLSU-UHFFFAOYSA-N 1 0 394.313 1.793 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000613523010 531568281 /nfs/dbraw/zinc/56/82/81/531568281.db2.gz QMEABWDQRXRZOV-KRWDZBQOSA-N 1 0 382.302 1.846 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2cc(Br)ccc2-n2cnnn2)CCC1 ZINC000613796083 531571175 /nfs/dbraw/zinc/57/11/75/531571175.db2.gz KRZRSFAXYCPYIS-UHFFFAOYSA-N 1 0 379.262 1.639 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000554085274 531573538 /nfs/dbraw/zinc/57/35/38/531573538.db2.gz FKTXKNXHZCQTFO-QWHCGFSZSA-N 1 0 380.557 1.314 20 0 GDADRO C[C@@H](c1ncc(Br)cn1)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000553889799 531571723 /nfs/dbraw/zinc/57/17/23/531571723.db2.gz CEGRWWJNTNREKO-LBPRGKRZSA-N 1 0 384.322 1.690 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](COC)OC ZINC000295416904 531575423 /nfs/dbraw/zinc/57/54/23/531575423.db2.gz NNKCVTKTMRJZAM-SMDDNHRTSA-N 1 0 389.290 1.713 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NC2(C[NH+](C)C)CCC2)ccc1Cl ZINC000281077115 531575995 /nfs/dbraw/zinc/57/59/95/531575995.db2.gz NJMWPIRILRQEEI-UHFFFAOYSA-N 1 0 389.905 1.736 20 0 GDADRO C[C@@H]1CN(C(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)C[N@@H+]1CCO ZINC000416318582 531575993 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1.433 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)N(CC)CC(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000639563765 531694923 /nfs/dbraw/zinc/69/49/23/531694923.db2.gz AUAKAQPXZNKIOQ-CYBMUJFWSA-N 1 0 381.420 1.786 20 0 GDADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc(Br)cc1S(N)(=O)=O ZINC000561418635 531697551 /nfs/dbraw/zinc/69/75/51/531697551.db2.gz VHIOJIQDZFRBDX-ZYHUDNBSSA-N 1 0 389.319 1.555 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000662927742 531699267 /nfs/dbraw/zinc/69/92/67/531699267.db2.gz HEMNGYGZVJMUGO-AWEZNQCLSA-N 1 0 384.274 1.156 20 0 GDADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)CC1(O)CCOCC1 ZINC000639633483 531699269 /nfs/dbraw/zinc/69/92/69/531699269.db2.gz LFBGMAYPFJWSPP-ZDUSSCGKSA-N 1 0 394.331 1.597 20 0 GDADRO COc1cc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c(Cl)cc1Br ZINC000662917823 531699643 /nfs/dbraw/zinc/69/96/43/531699643.db2.gz CIVBSAQFXNWRLP-JTQLQIEISA-N 1 0 390.665 1.918 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)cc4c3OCC4)C[C@@H]21 ZINC000451880315 531700428 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[NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCCOc2cccc(Br)c2)n1 ZINC000662944887 531702035 /nfs/dbraw/zinc/70/20/35/531702035.db2.gz ABNGYUFKZFIHDK-UHFFFAOYSA-N 1 0 395.257 1.879 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000662943352 531702531 /nfs/dbraw/zinc/70/25/31/531702531.db2.gz SKBWUNAZWHXXSO-UHFFFAOYSA-N 1 0 386.290 1.612 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(F)c(F)cc1Br ZINC000269715652 531723062 /nfs/dbraw/zinc/72/30/62/531723062.db2.gz DMXJZCBVSMZCBA-ZDUSSCGKSA-N 1 0 390.228 1.797 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000561770993 531724618 /nfs/dbraw/zinc/72/46/18/531724618.db2.gz KLOWCLPLHCPFDU-NSHDSACASA-N 1 0 384.274 1.631 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1Br ZINC000640165410 531724700 /nfs/dbraw/zinc/72/47/00/531724700.db2.gz HPEZGURZPUOLMA-SNVBAGLBSA-N 1 0 388.310 1.800 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)Nc1cccc(F)c1S(C)(=O)=O ZINC000640273692 531729703 /nfs/dbraw/zinc/72/97/03/531729703.db2.gz 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ZINC000665530261 531734780 /nfs/dbraw/zinc/73/47/80/531734780.db2.gz JSKXTQCLZYNPGK-UHFFFAOYSA-N 1 0 379.262 1.639 20 0 GDADRO COCCCN(C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000665554109 531735613 /nfs/dbraw/zinc/73/56/13/531735613.db2.gz FVWPMXUPBVKELG-HUUCEWRRSA-N 1 0 375.535 1.094 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000591691959 531735981 /nfs/dbraw/zinc/73/59/81/531735981.db2.gz GAOLSHHCVVLXAG-DDTOSNHZSA-N 1 0 384.274 1.694 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)c1Cl ZINC000366321107 531737733 /nfs/dbraw/zinc/73/77/33/531737733.db2.gz VZEBEMHQSAKTHH-UWVGGRQHSA-N 1 0 378.903 1.869 20 0 GDADRO CC[C@@H]1CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[C@H](C)[NH2+]1 ZINC000620906294 531738046 /nfs/dbraw/zinc/73/80/46/531738046.db2.gz VPFNCQGXKYRTAJ-CMPLNLGQSA-N 1 0 394.269 1.644 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000416907042 531744256 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ZINC000562482415 531759750 /nfs/dbraw/zinc/75/97/50/531759750.db2.gz SRDKXRGOSSXSDL-UHFFFAOYSA-N 1 0 392.257 1.949 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000621838222 531759920 /nfs/dbraw/zinc/75/99/20/531759920.db2.gz ACOYRWRRZVFMEQ-ATEUNZGCSA-N 1 0 376.404 1.679 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621839190 531759938 /nfs/dbraw/zinc/75/99/38/531759938.db2.gz PAHMLBGWWRSHLK-CXAGYDPISA-N 1 0 380.286 1.714 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621846799 531760597 /nfs/dbraw/zinc/76/05/97/531760597.db2.gz KMNIWKBYIZEWAX-UHFFFAOYSA-N 1 0 378.217 1.383 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621849156 531760909 /nfs/dbraw/zinc/76/09/09/531760909.db2.gz ODJKVPNENIYVHL-JTQLQIEISA-N 1 0 390.228 1.464 20 0 GDADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000562524327 531761262 /nfs/dbraw/zinc/76/12/62/531761262.db2.gz OEAZEYHBSUSPRL-ZYHUDNBSSA-N 1 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WTFYFWGBNGWGEY-UHFFFAOYSA-N 1 0 393.289 1.703 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417438851 531771028 /nfs/dbraw/zinc/77/10/28/531771028.db2.gz RRSVRXFZLWNTAD-ZDUSSCGKSA-N 1 0 397.317 1.820 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667262710 531774001 /nfs/dbraw/zinc/77/40/01/531774001.db2.gz LXGWZQYSIJXIKL-JTQLQIEISA-N 1 0 381.889 1.999 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000667671789 531783194 /nfs/dbraw/zinc/78/31/94/531783194.db2.gz POJJPCCOBNFMMH-UHFFFAOYSA-N 1 0 398.305 1.802 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000641041259 531775159 /nfs/dbraw/zinc/77/51/59/531775159.db2.gz ASXMTBIZSIQFSN-GJZGRUSLSA-N 1 0 395.301 1.774 20 0 GDADRO CSc1ccc([C@H](CNC(=O)NCCCCS(N)(=O)=O)[NH+](C)C)cc1 ZINC000297273284 531776580 /nfs/dbraw/zinc/77/65/80/531776580.db2.gz ITOYERSOVYHLKF-HNNXBMFYSA-N 1 0 388.559 1.379 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2CC[NH2+][C@H](C)C2)s1 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C[C@H](Cc1cc(Br)ccc1F)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417945090 531792286 /nfs/dbraw/zinc/79/22/86/531792286.db2.gz QNSDBGYCNSGEEU-BXUZGUMPSA-N 1 0 387.297 1.722 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)CCCC[NH+](C)C)c1 ZINC000668149632 531792299 /nfs/dbraw/zinc/79/22/99/531792299.db2.gz OFSUHMBHBWIZQR-UHFFFAOYSA-N 1 0 375.922 1.970 20 0 GDADRO O=C(c1ccc(Br)cc1-n1cnnn1)N1CC[NH+](C2CCC2)CC1 ZINC000623019244 531792417 /nfs/dbraw/zinc/79/24/17/531792417.db2.gz MKUDEYPQQOCVPD-UHFFFAOYSA-N 1 0 391.273 1.735 20 0 GDADRO C[C@H]1CC2(CN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1)CC[NH2+]CC2 ZINC000562966915 531792484 /nfs/dbraw/zinc/79/24/84/531792484.db2.gz JZNFHOOECNZOIU-NSHDSACASA-N 1 0 391.946 1.670 20 0 GDADRO O=C(CC[NH2+]CCC(=O)N1CCOCC1)Nc1cccc(Br)c1 ZINC000562984868 531793910 /nfs/dbraw/zinc/79/39/10/531793910.db2.gz LZNYOXFAKXNKHS-UHFFFAOYSA-N 1 0 384.274 1.616 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000562979967 531794050 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[NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(F)F ZINC000418000838 531796031 /nfs/dbraw/zinc/79/60/31/531796031.db2.gz KIJYIXQRVFUJAZ-NWDGAFQWSA-N 1 0 378.782 1.866 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCO[C@H](C[NH3+])C3)nc12 ZINC000418015860 531796941 /nfs/dbraw/zinc/79/69/41/531796941.db2.gz FEEBHQJQWQILJE-CYBMUJFWSA-N 1 0 382.262 1.274 20 0 GDADRO Cc1cnc([C@@H](C)CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000418017386 531798014 /nfs/dbraw/zinc/79/80/14/531798014.db2.gz HHLCJMNUQGMJLU-CMPLNLGQSA-N 1 0 379.452 1.690 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000418014113 531798119 /nfs/dbraw/zinc/79/81/19/531798119.db2.gz NWWXLFDCVWUBMA-IUODEOHRSA-N 1 0 395.301 1.866 20 0 GDADRO CCC[C@]1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCOC1 ZINC000512276598 531799209 /nfs/dbraw/zinc/79/92/09/531799209.db2.gz MEADQFRFKBQWNY-HNNXBMFYSA-N 1 0 375.878 1.475 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418256563 531818220 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GDADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])Oc1cccc(Br)c1 ZINC000563140212 531811848 /nfs/dbraw/zinc/81/18/48/531811848.db2.gz BVASQJGORQEVFT-SDDRHHMPSA-N 1 0 386.290 1.575 20 0 GDADRO COc1cc(CS(=O)(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)sn1 ZINC000641378764 531812242 /nfs/dbraw/zinc/81/22/42/531812242.db2.gz KWTOBYFOSCNYQF-GFCCVEGCSA-N 1 0 383.495 1.811 20 0 GDADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000563139065 531813186 /nfs/dbraw/zinc/81/31/86/531813186.db2.gz YIOVXKOVQYYZBX-RISCZKNCSA-N 1 0 378.238 1.915 20 0 GDADRO CSc1nc2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc2s1 ZINC000269969801 531813479 /nfs/dbraw/zinc/81/34/79/531813479.db2.gz ZLECORGNEMXTOP-INIZCTEOSA-N 1 0 382.511 1.386 20 0 GDADRO COC[C@@H](CS(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)OC ZINC000641382722 531813761 /nfs/dbraw/zinc/81/37/61/531813761.db2.gz PTKCQWAADNLICJ-AEFFLSMTSA-N 1 0 376.563 1.954 20 0 GDADRO COC[C@H](CS(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)OC ZINC000641382724 531814081 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O=C(NC[C@H](CO)Cc1cccc(Br)c1)NC[C@H]1CCC[NH2+]C1 ZINC000418319702 531821834 /nfs/dbraw/zinc/82/18/34/531821834.db2.gz PEWUANPNBNDDEV-LSDHHAIUSA-N 1 0 384.318 1.899 20 0 GDADRO O=C(NC[C@@H](CO)Cc1ccccc1Br)NC[C@@H]1CCC[NH2+]C1 ZINC000418307716 531821896 /nfs/dbraw/zinc/82/18/96/531821896.db2.gz AVDOVXONEAYBOI-KGLIPLIRSA-N 1 0 384.318 1.899 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000418385006 531822975 /nfs/dbraw/zinc/82/29/75/531822975.db2.gz KXJOBEUHDZUUFF-UONOGXRCSA-N 1 0 383.290 1.615 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)NCC(C)(C)[NH3+])cc1Br ZINC000418417602 531824900 /nfs/dbraw/zinc/82/49/00/531824900.db2.gz UUTZLXHAAOBCEE-GFCCVEGCSA-N 1 0 388.306 1.645 20 0 GDADRO C[C@H](C[NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cccc(Br)c1 ZINC000623793553 531824946 /nfs/dbraw/zinc/82/49/46/531824946.db2.gz JRVHCQZBZJYHKM-LLVKDONJSA-N 1 0 376.320 1.633 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)NCCCC[NH3+] ZINC000418505552 531828270 /nfs/dbraw/zinc/82/82/70/531828270.db2.gz DHPBJUDSJSUGLZ-UHFFFAOYSA-N 1 0 391.335 1.897 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000418290615 531819417 /nfs/dbraw/zinc/81/94/17/531819417.db2.gz SBHXHZZZQLFZJX-HNNXBMFYSA-N 1 0 385.306 1.077 20 0 GDADRO C[NH2+]CCCNC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418276537 531819472 /nfs/dbraw/zinc/81/94/72/531819472.db2.gz GGKSGLFRBSOCNJ-LBPRGKRZSA-N 1 0 376.270 1.648 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000283002745 531819517 /nfs/dbraw/zinc/81/95/17/531819517.db2.gz RHHACOUPPJSXHM-INIZCTEOSA-N 1 0 387.933 1.731 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)N1CCc2cc(Br)cc(F)c2C1 ZINC000418305084 531819560 /nfs/dbraw/zinc/81/95/60/531819560.db2.gz ZUCBUOYFLJQHSK-UHFFFAOYSA-N 1 0 399.308 1.951 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000418284721 531820293 /nfs/dbraw/zinc/82/02/93/531820293.db2.gz CQVMCKOFLIKOHG-UHFFFAOYSA-N 1 0 399.337 1.287 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N[C@H](CCO)c1ccccc1Br ZINC000418302110 531820436 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CS(=O)(=O)NC1CC([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000669832080 531821419 /nfs/dbraw/zinc/82/14/19/531821419.db2.gz WUXLYAJAMJNIFE-UHFFFAOYSA-N 1 0 387.299 1.895 20 0 GDADRO COc1cc(Br)c(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1OC ZINC000669832325 531821458 /nfs/dbraw/zinc/82/14/58/531821458.db2.gz YVKDVYIRPMRNCE-UHFFFAOYSA-N 1 0 393.303 1.636 20 0 GDADRO COC[C@@]1(CNC(=O)N[C@@H](CO)c2cccc(Br)c2)CCC[NH2+]1 ZINC000418657459 531832830 /nfs/dbraw/zinc/83/28/30/531832830.db2.gz RGMFDTINBYEWBC-HOCLYGCPSA-N 1 0 386.290 1.550 20 0 GDADRO COCC1(CNC(=O)N(C)CCn2cc(Br)cn2)CC[NH2+]CC1 ZINC000418652144 531832936 /nfs/dbraw/zinc/83/29/36/531832936.db2.gz ZXMMXEGPZLUHOA-UHFFFAOYSA-N 1 0 388.310 1.303 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418674523 531832984 /nfs/dbraw/zinc/83/29/84/531832984.db2.gz QJQKPBJTFBRHMK-NHAGDIPZSA-N 1 0 394.273 1.668 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453923691 531833682 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GDADRO O=S(=O)([N-]c1c[nH]cn1)c1ccc(S(=O)(=O)NCCCCF)cc1 ZINC000563428759 531837647 /nfs/dbraw/zinc/83/76/47/531837647.db2.gz ZSTFXCGBRFAOSV-UHFFFAOYSA-N 1 0 376.435 1.239 20 0 GDADRO CCN(CC[NH3+])S(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C ZINC000624382054 531838752 /nfs/dbraw/zinc/83/87/52/531838752.db2.gz LFNUHLVRMGWOFW-UHFFFAOYSA-N 1 0 378.292 1.685 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000418782286 531838963 /nfs/dbraw/zinc/83/89/63/531838963.db2.gz MZFAMQQHCXOTHD-LLVKDONJSA-N 1 0 384.274 1.190 20 0 GDADRO C[C@H]1CC2(CN1S(=O)(=O)c1cccnc1OCC(F)F)CC[NH2+]CC2 ZINC000624373649 531839385 /nfs/dbraw/zinc/83/93/85/531839385.db2.gz USERTEAJHZYKRH-LBPRGKRZSA-N 1 0 375.441 1.878 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000418779993 531839869 /nfs/dbraw/zinc/83/98/69/531839869.db2.gz KFNMRXGNSLFCOJ-QWRGUYRKSA-N 1 0 384.274 1.270 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000670629804 531839978 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C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000418840431 531852209 /nfs/dbraw/zinc/85/22/09/531852209.db2.gz FMGJQAWZAICTQK-UPJWGTAASA-N 1 0 382.302 1.705 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CCCCCS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000563541111 531852296 /nfs/dbraw/zinc/85/22/96/531852296.db2.gz JZCZCDQXIGPEPU-OAHLLOKOSA-N 1 0 375.922 1.908 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2nn(C)cc2Br)C[C@@H](C)O1 ZINC000454233174 531853593 /nfs/dbraw/zinc/85/35/93/531853593.db2.gz WHBAUDFEWBUNOQ-VXGBXAGGSA-N 1 0 388.310 1.481 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418850485 531854884 /nfs/dbraw/zinc/85/48/84/531854884.db2.gz QJFJFWKUEUXZFJ-UHFFFAOYSA-N 1 0 388.281 1.690 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)[nH]1 ZINC000367674199 531855006 /nfs/dbraw/zinc/85/50/06/531855006.db2.gz VSLCHSJOIWUDQK-GFCCVEGCSA-N 1 0 383.495 1.663 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624387212 531840743 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375.878 1.081 20 0 GDADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563440117 531843860 /nfs/dbraw/zinc/84/38/60/531843860.db2.gz HNXPUOBKZAMOFG-GJZGRUSLSA-N 1 0 385.295 1.196 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)C1 ZINC000418811389 531844142 /nfs/dbraw/zinc/84/41/42/531844142.db2.gz PXJMTAMLPVABHD-HBNTYKKESA-N 1 0 386.315 1.551 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000418811030 531844178 /nfs/dbraw/zinc/84/41/78/531844178.db2.gz POMLFFPGANWDLA-CKRXIKOQSA-N 1 0 398.276 1.817 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000624406464 531844770 /nfs/dbraw/zinc/84/47/70/531844770.db2.gz CVQYKSYMYQPKIA-NXEZZACHSA-N 1 0 393.303 1.885 20 0 GDADRO C[C@]1(CNC(=O)C(=O)NCc2ccc(F)cc2Br)CCC[NH2+]C1 ZINC000418810311 531844942 /nfs/dbraw/zinc/84/49/42/531844942.db2.gz HGOOMJICBKFILF-INIZCTEOSA-N 1 0 386.265 1.710 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418814202 531845082 /nfs/dbraw/zinc/84/50/82/531845082.db2.gz UTBACTKYOQQOLN-GMTAPVOTSA-N 1 0 386.315 1.693 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000418811028 531845123 /nfs/dbraw/zinc/84/51/23/531845123.db2.gz POMLFFPGANWDLA-AVNXNWIJSA-N 1 0 398.276 1.817 20 0 GDADRO C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000671071423 531845282 /nfs/dbraw/zinc/84/52/82/531845282.db2.gz NRICFZDKYNZVSI-TYNCELHUSA-N 1 0 381.464 1.729 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C[C@@H]1[NH3+] ZINC000418829037 531848210 /nfs/dbraw/zinc/84/82/10/531848210.db2.gz NALLVVHCVOWXSI-OXUWNYNTSA-N 1 0 398.276 1.756 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000418931861 531866207 /nfs/dbraw/zinc/86/62/07/531866207.db2.gz FDYFBPQFQPBCJN-MNOVXSKESA-N 1 0 388.331 1.852 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H](C)C[NH2+]C)c1 ZINC000595119104 531866506 /nfs/dbraw/zinc/86/65/06/531866506.db2.gz LUVJNIGRKZHICR-VIFPVBQESA-N 1 0 379.276 1.512 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)cc3)C[C@H]21 ZINC000418932925 531866588 /nfs/dbraw/zinc/86/65/88/531866588.db2.gz IDIXOYJWEITJFH-BPLDGKMQSA-N 1 0 380.286 1.651 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000418945131 531869314 /nfs/dbraw/zinc/86/93/14/531869314.db2.gz MLJDBWNSIJVIFA-CQSZACIVSA-N 1 0 386.265 1.805 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595119557 531866862 /nfs/dbraw/zinc/86/68/62/531866862.db2.gz GUZCRZCNJZGCLY-CHWSQXEVSA-N 1 0 381.479 1.354 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000642981606 531867095 /nfs/dbraw/zinc/86/70/95/531867095.db2.gz AOLVAWCZPMICIG-ZDUSSCGKSA-N 1 0 380.286 1.592 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)CCCO1 ZINC000418938543 531867447 /nfs/dbraw/zinc/86/74/47/531867447.db2.gz GOEIOHAINSABIJ-UKRRQHHQSA-N 1 0 396.285 1.129 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418943313 531869336 /nfs/dbraw/zinc/86/93/36/531869336.db2.gz YNWAGRYMYZDUBP-CYBMUJFWSA-N 1 0 396.329 1.959 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000563609931 531856261 /nfs/dbraw/zinc/85/62/61/531856261.db2.gz QGSAXGSQSXJWFD-BBRMVZONSA-N 1 0 387.311 1.980 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000418868490 531858238 /nfs/dbraw/zinc/85/82/38/531858238.db2.gz PYQCXZKEDVSTTI-OLZOCXBDSA-N 1 0 385.295 1.638 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)c1ccc(Br)cn1 ZINC000418871599 531858737 /nfs/dbraw/zinc/85/87/37/531858737.db2.gz USEFZBIFSAWPMZ-KWBADKCTSA-N 1 0 399.289 1.251 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)c1ccc(Br)cn1 ZINC000418871598 531858835 /nfs/dbraw/zinc/85/88/35/531858835.db2.gz USEFZBIFSAWPMZ-CWSCBRNRSA-N 1 0 399.289 1.251 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418868505 531859024 /nfs/dbraw/zinc/85/90/24/531859024.db2.gz PZOPJFSOWBAERQ-DGCLKSJQSA-N 1 0 387.311 1.932 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000642433223 531859811 /nfs/dbraw/zinc/85/98/11/531859811.db2.gz VZTVZTJMLNPSEB-HNNXBMFYSA-N 1 0 394.313 1.855 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418942455 531869141 /nfs/dbraw/zinc/86/91/41/531869141.db2.gz XBBIMNYJOZWCPR-GFCCVEGCSA-N 1 0 382.302 1.793 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418913649 531861386 /nfs/dbraw/zinc/86/13/86/531861386.db2.gz AMQOZZRFHUCENB-AWEZNQCLSA-N 1 0 380.286 1.465 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CCO1 ZINC000642756841 531863173 /nfs/dbraw/zinc/86/31/73/531863173.db2.gz CUPLETBOTYJENV-JTNHKYCSSA-N 1 0 388.295 1.788 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(OC)c(Br)c2)CC[C@@H]1[NH3+] ZINC000642740769 531863190 /nfs/dbraw/zinc/86/31/90/531863190.db2.gz VKTBSCYTHIUFJN-OCCSQVGLSA-N 1 0 398.301 1.660 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000642769529 531863487 /nfs/dbraw/zinc/86/34/87/531863487.db2.gz SNLZLYZPDQNUJD-ZWNOBZJWSA-N 1 0 388.299 1.502 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)Oc1ccc(Br)cc1 ZINC000642777833 531863956 /nfs/dbraw/zinc/86/39/56/531863956.db2.gz LBXBIGNACJNFAP-LLVKDONJSA-N 1 0 384.274 1.201 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418927167 531864718 /nfs/dbraw/zinc/86/47/18/531864718.db2.gz WMFHRXCOEYHJFW-UHFFFAOYSA-N 1 0 388.281 1.881 20 0 GDADRO CN(C(=O)C(=O)NCCOc1cccc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000418931194 531864781 /nfs/dbraw/zinc/86/47/81/531864781.db2.gz BYFOPNSDHXPOJE-CQSZACIVSA-N 1 0 398.301 1.545 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418925331 531865293 /nfs/dbraw/zinc/86/52/93/531865293.db2.gz RMGUQPKQYBHFFF-CYBMUJFWSA-N 1 0 386.265 1.457 20 0 GDADRO CN(CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000298280044 531871508 /nfs/dbraw/zinc/87/15/08/531871508.db2.gz FVMARLFVOPTIBF-INIZCTEOSA-N 1 0 381.523 1.788 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418955197 531872306 /nfs/dbraw/zinc/87/23/06/531872306.db2.gz UWQFDCAYOOBSQL-SMDDNHRTSA-N 1 0 384.274 1.201 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1ccc(I)cn1 ZINC000455478100 531872601 /nfs/dbraw/zinc/87/26/01/531872601.db2.gz ZNTXFONZCQQONU-UHFFFAOYSA-N 1 0 377.226 1.336 20 0 GDADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000270460434 531873189 /nfs/dbraw/zinc/87/31/89/531873189.db2.gz ABGJQCVTUFJSHH-QWHCGFSZSA-N 1 0 376.475 1.278 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418969435 531873695 /nfs/dbraw/zinc/87/36/95/531873695.db2.gz JACMOQUKPBINHK-ONGXEEELSA-N 1 0 394.273 1.185 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000418988453 531875895 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O=C(CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)Nc1ccc(Br)cc1 ZINC000298343577 531879979 /nfs/dbraw/zinc/87/99/79/531879979.db2.gz BMSSWFSJNUHOLN-MRXNPFEDSA-N 1 0 395.257 1.452 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000419012095 531880127 /nfs/dbraw/zinc/88/01/27/531880127.db2.gz VAAOWEWSZHQZLP-MNOVXSKESA-N 1 0 386.290 1.749 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000595405354 531880934 /nfs/dbraw/zinc/88/09/34/531880934.db2.gz WJSQKCBQORGLIR-ZDUSSCGKSA-N 1 0 376.500 1.266 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000419018199 531881405 /nfs/dbraw/zinc/88/14/05/531881405.db2.gz HLKMJVFTCUKEKX-CHWSQXEVSA-N 1 0 384.318 1.858 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419017365 531881650 /nfs/dbraw/zinc/88/16/50/531881650.db2.gz GAOWGMPHGLPNHO-YPMHNXCESA-N 1 0 382.258 1.257 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000419018662 531882073 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CS[C@H]1CN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)C[C@@H]1[NH+](C)C ZINC000270554143 531893133 /nfs/dbraw/zinc/89/31/33/531893133.db2.gz HWGDOZOERVWVMQ-IRXDYDNUSA-N 1 0 383.539 1.262 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CC[C@H]1[NH3+] ZINC000647269950 531893580 /nfs/dbraw/zinc/89/35/80/531893580.db2.gz GUUJCKJJYHOQIA-GXFFZTMASA-N 1 0 389.905 1.456 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000419054719 531893607 /nfs/dbraw/zinc/89/36/07/531893607.db2.gz MSTGSZYXWLKRBI-LLVKDONJSA-N 1 0 388.281 1.703 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419058196 531895535 /nfs/dbraw/zinc/89/55/35/531895535.db2.gz VXEYZJYUTAFPGB-LBPRGKRZSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cccc(Br)c2Cl)C[C@H](C)[NH2+]1 ZINC000419059367 531896230 /nfs/dbraw/zinc/89/62/30/531896230.db2.gz XSUTWEFVOGMXBA-UWVGGRQHSA-N 1 0 388.693 1.928 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000647710305 531896231 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C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)[C@@H](C)C[NH2+]1 ZINC000419036534 531885765 /nfs/dbraw/zinc/88/57/65/531885765.db2.gz BHELHZLQCRLNGG-ZJUUUORDSA-N 1 0 375.803 1.766 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(I)cn2)CCSC1 ZINC000455873910 531885847 /nfs/dbraw/zinc/88/58/47/531885847.db2.gz LQCBKVXROGDNEY-CYBMUJFWSA-N 1 0 391.278 1.853 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)C1 ZINC000419040062 531887030 /nfs/dbraw/zinc/88/70/30/531887030.db2.gz LQGOVLKJGLRPKD-PWSUYJOCSA-N 1 0 386.265 1.790 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000419041333 531887128 /nfs/dbraw/zinc/88/71/28/531887128.db2.gz JVRAZFLJAAMTMU-RYUDHWBXSA-N 1 0 375.803 1.944 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000419040244 531887289 /nfs/dbraw/zinc/88/72/89/531887289.db2.gz IPXLLWPFKSSVCD-UHFFFAOYSA-N 1 0 375.803 1.755 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)c(F)c3)C[C@H]12 ZINC000419044212 531888655 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1.656 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419161088 531906261 /nfs/dbraw/zinc/90/62/61/531906261.db2.gz CUAVAJVQCUNARP-KRWDZBQOSA-N 1 0 380.286 1.586 20 0 GDADRO COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)C[NH+](C)C ZINC000270658796 531906508 /nfs/dbraw/zinc/90/65/08/531906508.db2.gz VGPPJDURSYFJPS-ZDUSSCGKSA-N 1 0 382.258 1.692 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419193698 531911206 /nfs/dbraw/zinc/91/12/06/531911206.db2.gz VBQFUGGGLSPSJG-GFCCVEGCSA-N 1 0 384.318 1.957 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419193495 531911389 /nfs/dbraw/zinc/91/13/89/531911389.db2.gz ZDTDVCKWJOWFJV-UHFFFAOYSA-N 1 0 386.315 1.729 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000675817281 531911471 /nfs/dbraw/zinc/91/14/71/531911471.db2.gz NGFVQBSPQFGCQC-INIZCTEOSA-N 1 0 387.933 1.721 20 0 GDADRO CC[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc(Cl)ccc1OC ZINC000675816644 531911897 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CCCN(C(=O)C(=O)NCCc1ccc(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000419112845 531901576 /nfs/dbraw/zinc/90/15/76/531901576.db2.gz KPOHDMITGVEZNJ-LLVKDONJSA-N 1 0 388.331 1.770 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCc1ccc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000419108900 531901633 /nfs/dbraw/zinc/90/16/33/531901633.db2.gz GWHVDXIJOGIZFF-QWRGUYRKSA-N 1 0 388.331 1.674 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419133600 531902658 /nfs/dbraw/zinc/90/26/58/531902658.db2.gz IYERRXKTXJXNTQ-ZJUUUORDSA-N 1 0 388.693 1.914 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000419130508 531902685 /nfs/dbraw/zinc/90/26/85/531902685.db2.gz BLQWGHQQKRBBIM-UHFFFAOYSA-N 1 0 394.273 1.106 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000419134266 531902696 /nfs/dbraw/zinc/90/26/96/531902696.db2.gz JNXLWJBDRASKPT-CABZTGNLSA-N 1 0 388.693 1.962 20 0 GDADRO O=C(COC1C[NH2+]C1)NCc1cc(Br)ccc1Br ZINC000567822741 531902790 /nfs/dbraw/zinc/90/27/90/531902790.db2.gz PLBOWMCMDXDEKZ-UHFFFAOYSA-N 1 0 378.064 1.816 20 0 GDADRO CCN(C(C)=O)c1nc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cs1 ZINC000674710739 531903623 /nfs/dbraw/zinc/90/36/23/531903623.db2.gz DOYKBOADORHNIL-UHFFFAOYSA-N 1 0 386.543 1.562 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000419143000 531904246 /nfs/dbraw/zinc/90/42/46/531904246.db2.gz HJRGXLPBFLRWOB-QWHCGFSZSA-N 1 0 384.274 1.030 20 0 GDADRO C[NH+](C)CCOc1ccc(CNC(=O)Cn2cc(Br)cn2)cc1 ZINC000298754428 531917116 /nfs/dbraw/zinc/91/71/16/531917116.db2.gz GLRXNAKESAVBQH-UHFFFAOYSA-N 1 0 381.274 1.902 20 0 GDADRO C[C@@H](C(=O)NCc1nn(C)cc1I)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000456506979 531917162 /nfs/dbraw/zinc/91/71/62/531917162.db2.gz NMQXSQWEXZDHKV-AXFHLTTASA-N 1 0 390.269 1.902 20 0 GDADRO CN(C)S(=O)(=O)CC[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000368507825 531917547 /nfs/dbraw/zinc/91/75/47/531917547.db2.gz NAOOWPDWIDVNBZ-UHFFFAOYSA-N 1 0 375.535 1.601 20 0 GDADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419252952 531918168 /nfs/dbraw/zinc/91/81/68/531918168.db2.gz TXTGPVHOOWNLMO-GBIKHYSHSA-N 1 0 396.310 1.390 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCOc1cccc(Br)c1 ZINC000649079606 531920909 /nfs/dbraw/zinc/92/09/09/531920909.db2.gz FVXLSVCTCBZTAX-ZDUSSCGKSA-N 1 0 398.301 1.796 20 0 GDADRO CN(C)c1nccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)n1 ZINC000569475501 531922532 /nfs/dbraw/zinc/92/25/32/531922532.db2.gz IXMPVQQHXZQKHM-AWEZNQCLSA-N 1 0 381.274 1.835 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419305509 531922780 /nfs/dbraw/zinc/92/27/80/531922780.db2.gz WYPSTKLVEUORHP-CQSZACIVSA-N 1 0 398.301 1.258 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000419309485 531923035 /nfs/dbraw/zinc/92/30/35/531923035.db2.gz WKKRHZJULIFHEO-UHFFFAOYSA-N 1 0 378.420 1.626 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000569487541 531924121 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O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(I)c[nH]1 ZINC000298743877 531915375 /nfs/dbraw/zinc/91/53/75/531915375.db2.gz YFAAFGSAQVEHDO-LLVKDONJSA-N 1 0 377.226 1.196 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(NC(=O)NCCOCC[NH2+]C)c(F)c1 ZINC000625891639 531916953 /nfs/dbraw/zinc/91/69/53/531916953.db2.gz IJWXHJYRTCITGV-UHFFFAOYSA-N 1 0 376.454 1.335 20 0 GDADRO CC(C)(CNC(=O)C(=O)N(CC[NH3+])CCO)c1ccc(Cl)c(Cl)c1 ZINC000419366335 531930032 /nfs/dbraw/zinc/93/00/32/531930032.db2.gz VGPWWAKJXWOYSU-UHFFFAOYSA-N 1 0 376.284 1.167 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419359302 531930058 /nfs/dbraw/zinc/93/00/58/531930058.db2.gz QESFLGXZQDBQDX-AWEZNQCLSA-N 1 0 398.301 1.708 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419406535 531930902 /nfs/dbraw/zinc/93/09/02/531930902.db2.gz VBAMPVDCXXKLAQ-GWCFXTLKSA-N 1 0 389.283 1.612 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000569845096 531931194 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COc1ccc(C[C@H](CO)CNc2cc[nH+]cc2C(N)=O)cc1Br ZINC000569795146 531927953 /nfs/dbraw/zinc/92/79/53/531927953.db2.gz NSKUVTCOYOSSRN-LBPRGKRZSA-N 1 0 394.269 1.637 20 0 GDADRO CC[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)Cc1cccc(Br)c1 ZINC000419352167 531928563 /nfs/dbraw/zinc/92/85/63/531928563.db2.gz AGTXTIWXQYFUCQ-KGLIPLIRSA-N 1 0 396.329 1.954 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ncccc2Br)CC1 ZINC000684426090 531941000 /nfs/dbraw/zinc/94/10/00/531941000.db2.gz ATOCKKIVZHERJP-ZDUSSCGKSA-N 1 0 381.274 1.398 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000626910929 531941183 /nfs/dbraw/zinc/94/11/83/531941183.db2.gz MXWLGUOCUZRBGR-IINYFYTJSA-N 1 0 383.290 1.316 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)Oc1cccc(Br)c1 ZINC000419613457 531941361 /nfs/dbraw/zinc/94/13/61/531941361.db2.gz NPUHWFVMSDVWON-NWDGAFQWSA-N 1 0 384.274 1.140 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)Oc1ccccc1Br ZINC000419613789 531942379 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C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000419627151 531945845 /nfs/dbraw/zinc/94/58/45/531945845.db2.gz XUJXBVBKILEOSO-TZMCWYRMSA-N 1 0 398.301 1.543 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000652384467 531947407 /nfs/dbraw/zinc/94/74/07/531947407.db2.gz AGBJHAIBFLNVPB-UHFFFAOYSA-N 1 0 389.905 1.975 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)NCc2ccccc2C[NH2+]C)c1 ZINC000652381893 531947836 /nfs/dbraw/zinc/94/78/36/531947836.db2.gz YQRFMLAKAXTTTJ-UHFFFAOYSA-N 1 0 382.507 1.678 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000652383400 531948197 /nfs/dbraw/zinc/94/81/97/531948197.db2.gz QAKOYMJOALTEMD-JHJVBQTASA-N 1 0 388.515 1.151 20 0 GDADRO O=C(Cc1noc2ccc(Br)cc21)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627270727 531948461 /nfs/dbraw/zinc/94/84/61/531948461.db2.gz LQUVLPOSRRZMQW-STQMWFEESA-N 1 0 394.269 1.800 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000419653349 531948741 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C[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)C(=O)NCC[NH+](C)C ZINC000571102843 531950057 /nfs/dbraw/zinc/95/00/57/531950057.db2.gz BYPYVISZGIQBAT-LLVKDONJSA-N 1 0 377.432 1.980 20 0 GDADRO Cc1cc(I)cc(C(=O)N[C@H](CO)C[NH+](C)C)c1C ZINC000597653494 531951198 /nfs/dbraw/zinc/95/11/98/531951198.db2.gz JSYKANXUUDHMET-LBPRGKRZSA-N 1 0 376.238 1.560 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000626867327 531940071 /nfs/dbraw/zinc/94/00/71/531940071.db2.gz VDMRKMCMSGVHAQ-UHFFFAOYSA-N 1 0 398.301 1.426 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000626871700 531940588 /nfs/dbraw/zinc/94/05/88/531940588.db2.gz FZCYMLCJGZCXRO-UHFFFAOYSA-N 1 0 379.791 1.574 20 0 GDADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000299095938 531957300 /nfs/dbraw/zinc/95/73/00/531957300.db2.gz WIJKUOMZJFMVPA-HZPDHXFCSA-N 1 0 399.333 1.370 20 0 GDADRO O[C@@H](C[NH2+]CCc1c[nH]c2ccc(Br)cc12)CN1CCOCC1 ZINC000572029551 531958506 /nfs/dbraw/zinc/95/85/06/531958506.db2.gz 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CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000598001278 531962909 /nfs/dbraw/zinc/96/29/09/531962909.db2.gz YPUVJNLQMCUWKR-ZBFHGGJFSA-N 1 0 387.571 1.543 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1cc(OC)ccc1Br ZINC000627460497 531952344 /nfs/dbraw/zinc/95/23/44/531952344.db2.gz MIGLJAXSOFUUBH-LSDHHAIUSA-N 1 0 398.301 1.673 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000627455641 531952766 /nfs/dbraw/zinc/95/27/66/531952766.db2.gz DJIYFTPGADKMME-MFKMUULPSA-N 1 0 399.289 1.055 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419678122 531953420 /nfs/dbraw/zinc/95/34/20/531953420.db2.gz PARGIQSQVKMDPR-GHMZBOCLSA-N 1 0 396.285 1.196 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CCCO1 ZINC000419691814 531956263 /nfs/dbraw/zinc/95/62/63/531956263.db2.gz AKLAIMOVZPCMLR-JOYOIKCWSA-N 1 0 388.251 1.119 20 0 GDADRO CN1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1=O ZINC000572356799 531965107 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531975244 /nfs/dbraw/zinc/97/52/44/531975244.db2.gz FVSQTIIISCLVAS-VXGBXAGGSA-N 1 0 377.304 1.737 20 0 GDADRO CC(C)NS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458117438 531976550 /nfs/dbraw/zinc/97/65/50/531976550.db2.gz URRBGCLMLURAON-UHFFFAOYSA-N 1 0 376.548 1.149 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N(CCOC)Cc1cc(Br)cs1 ZINC000419842145 531976736 /nfs/dbraw/zinc/97/67/36/531976736.db2.gz HISOAQQOTBYLGH-UHFFFAOYSA-N 1 0 392.319 1.211 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000419845816 531977067 /nfs/dbraw/zinc/97/70/67/531977067.db2.gz ONDVFYFXCOTMMX-CQSZACIVSA-N 1 0 392.258 1.758 20 0 GDADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000572359340 531964505 /nfs/dbraw/zinc/96/45/05/531964505.db2.gz FLBBWJZMTCOHTP-GFCCVEGCSA-N 1 0 383.221 2.295 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000419979536 531993316 /nfs/dbraw/zinc/99/33/16/531993316.db2.gz PSDQLJVVDVYERG-CABCVRRESA-N 1 0 398.301 1.449 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419857157 531979139 /nfs/dbraw/zinc/97/91/39/531979139.db2.gz GCFSTDCDXQHBJS-HNNXBMFYSA-N 1 0 398.301 1.530 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000419882749 531980797 /nfs/dbraw/zinc/98/07/97/531980797.db2.gz MJPMZRGQFGUZKI-XPTSAGLGSA-N 1 0 390.242 1.511 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000419881810 531980972 /nfs/dbraw/zinc/98/09/72/531980972.db2.gz UOXAARBRIISKGM-UHFFFAOYSA-N 1 0 384.933 1.432 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419884018 531981190 /nfs/dbraw/zinc/98/11/90/531981190.db2.gz NKJABWGQPRAACM-HNNXBMFYSA-N 1 0 380.286 1.633 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC1(C2CC2)CC1 ZINC000573359545 531982172 /nfs/dbraw/zinc/98/21/72/531982172.db2.gz XTYKEPGEPPYFHZ-UHFFFAOYSA-N 1 0 386.539 1.490 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000419892638 531982260 /nfs/dbraw/zinc/98/22/60/531982260.db2.gz JMUNALGKXMNIGF-QWHCGFSZSA-N 1 0 398.301 1.802 20 0 GDADRO Cc1cc(C2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000419888098 531982603 /nfs/dbraw/zinc/98/26/03/531982603.db2.gz QVKJRMXUBPBVQT-OAHLLOKOSA-N 1 0 394.313 1.942 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419900350 531983560 /nfs/dbraw/zinc/98/35/60/531983560.db2.gz QNUZNQGVUIUBED-ZIAGYGMSSA-N 1 0 394.313 1.981 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000271218619 531983696 /nfs/dbraw/zinc/98/36/96/531983696.db2.gz CIEJIMRKWRFSRP-SNVBAGLBSA-N 1 0 377.304 1.923 20 0 GDADRO Cc1nn(C)c(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1C(F)F ZINC000656934861 531983881 /nfs/dbraw/zinc/98/38/81/531983881.db2.gz MPNUAAFEVALHET-UHFFFAOYSA-N 1 0 380.461 1.180 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCc2cc(Br)ccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000419906999 531983971 /nfs/dbraw/zinc/98/39/71/531983971.db2.gz XEZCZVIBDDEGRM-TZMCWYRMSA-N 1 0 394.313 1.838 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000419911309 531985416 /nfs/dbraw/zinc/98/54/16/531985416.db2.gz JLPXWTPFVWKMES-WFASDCNBSA-N 1 0 395.301 1.623 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419913934 531985433 /nfs/dbraw/zinc/98/54/33/531985433.db2.gz ALLREQBBENHXTK-CYBMUJFWSA-N 1 0 394.313 1.665 20 0 GDADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000573558167 531986418 /nfs/dbraw/zinc/98/64/18/531986418.db2.gz DIPSBBQXGFUQFZ-GWCFXTLKSA-N 1 0 385.237 1.936 20 0 GDADRO CNS(=O)(=O)CCN1CCC[C@H]1c1ccccc1I ZINC000598591872 531986708 /nfs/dbraw/zinc/98/67/08/531986708.db2.gz DIPXVIFAFKMBEA-ZDUSSCGKSA-N 1 0 394.278 1.977 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)NC[C@@H]1CC[NH2+]C1)CC2 ZINC000419925283 531987011 /nfs/dbraw/zinc/98/70/11/531987011.db2.gz SQDFNDVHGRSJPE-GFCCVEGCSA-N 1 0 380.286 1.368 20 0 GDADRO COc1c(Br)cccc1C[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000370419308 531987213 /nfs/dbraw/zinc/98/72/13/531987213.db2.gz UUNDPSXXNWPKGI-INIZCTEOSA-N 1 0 398.345 1.954 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000419939724 531987988 /nfs/dbraw/zinc/98/79/88/531987988.db2.gz JMCPFDNJGUDOHZ-RISCZKNCSA-N 1 0 384.274 1.060 20 0 GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419943072 531988652 /nfs/dbraw/zinc/98/86/52/531988652.db2.gz PHACTOSAAUKSSX-YPMHNXCESA-N 1 0 382.302 1.823 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1F ZINC000271241228 531989017 /nfs/dbraw/zinc/98/90/17/531989017.db2.gz YQOWTRUWCYRJHQ-GFCCVEGCSA-N 1 0 393.506 1.302 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000419956424 531989306 /nfs/dbraw/zinc/98/93/06/531989306.db2.gz OEIBGHPOYWFKGZ-ZFWWWQNUSA-N 1 0 397.317 1.997 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000419948201 531989348 /nfs/dbraw/zinc/98/93/48/531989348.db2.gz YVSYEXSKLYTRLW-FZMZJTMJSA-N 1 0 384.274 1.060 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000419958646 531990871 /nfs/dbraw/zinc/99/08/71/531990871.db2.gz VDFOHIPGQAERDQ-DOMZBBRYSA-N 1 0 398.301 1.321 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000419958653 531990998 /nfs/dbraw/zinc/99/09/98/531990998.db2.gz VDFOHIPGQAERDQ-IUODEOHRSA-N 1 0 398.301 1.321 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000419958896 531991216 /nfs/dbraw/zinc/99/12/16/531991216.db2.gz QOSPFMRFJKARFF-CYBMUJFWSA-N 1 0 382.302 1.823 20 0 GDADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419960175 531991231 /nfs/dbraw/zinc/99/12/31/531991231.db2.gz SEWWBISDRGKVQX-BXUZGUMPSA-N 1 0 398.301 1.832 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000458755381 531991442 /nfs/dbraw/zinc/99/14/42/531991442.db2.gz FBCSPVZMCFRJKC-ZDUSSCGKSA-N 1 0 388.559 1.398 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000420030430 531997531 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CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)cc1F ZINC000271721458 532046025 /nfs/dbraw/zinc/04/60/25/532046025.db2.gz KXUKRCDNYAHGGA-GFCCVEGCSA-N 1 0 393.506 1.350 20 0 GDADRO COc1cc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)sc1S(N)(=O)=O ZINC000633944530 532050968 /nfs/dbraw/zinc/05/09/68/532050968.db2.gz SUKDMBHGVLWBHT-UHFFFAOYSA-N 1 0 387.527 1.495 20 0 GDADRO CC1([NH+]2CCCC2)CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000633942730 532050690 /nfs/dbraw/zinc/05/06/90/532050690.db2.gz RPTOJAWXOYQTRO-UHFFFAOYSA-N 1 0 393.289 1.977 20 0 GDADRO CC(C)(C[NH2+]Cc1cccc(I)c1)NS(C)(=O)=O ZINC000306086035 532052486 /nfs/dbraw/zinc/05/24/86/532052486.db2.gz GPAKGVIVLSINCJ-UHFFFAOYSA-N 1 0 382.267 1.709 20 0 GDADRO O[C@H](C[NH2+][C@H]1COc2cc(F)c(Br)cc21)CC1(O)CCOCC1 ZINC000634713699 532055937 /nfs/dbraw/zinc/05/59/37/532055937.db2.gz ZXJWSYYWAZZSAC-HZMBPMFUSA-N 1 0 390.249 1.904 20 0 GDADRO CC[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC1 ZINC000634708133 532055416 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399.264 1.698 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000423716410 532079164 /nfs/dbraw/zinc/07/91/64/532079164.db2.gz IQZAOHQNAOKAMW-GFCCVEGCSA-N 1 0 382.302 1.745 20 0 GDADRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCc2ccc(I)cc2)C1 ZINC000602536586 532079667 /nfs/dbraw/zinc/07/96/67/532079667.db2.gz UTQDUUUZZWVWQK-HIFRSBDPSA-N 1 0 388.249 1.717 20 0 GDADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000373427390 532079762 /nfs/dbraw/zinc/07/97/62/532079762.db2.gz RZPGMDDIWPYABF-LRDDRELGSA-N 1 0 376.258 1.850 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470227891 532083855 /nfs/dbraw/zinc/08/38/55/532083855.db2.gz JEIGKYHAVZNLFP-HZPDHXFCSA-N 1 0 391.603 1.238 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470227889 532083021 /nfs/dbraw/zinc/08/30/21/532083021.db2.gz JEIGKYHAVZNLFP-HOTGVXAUSA-N 1 0 391.603 1.238 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1c(Cl)ccnc1Cl ZINC000272240264 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532139541 /nfs/dbraw/zinc/13/95/41/532139541.db2.gz UBLIPKWIDPAKCH-NWDGAFQWSA-N 1 0 376.425 1.762 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)C[C@H]21 ZINC000374612195 532129519 /nfs/dbraw/zinc/12/95/19/532129519.db2.gz OCFXMERCEIGYJP-HBNTYKKESA-N 1 0 377.919 1.266 20 0 GDADRO CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)C1 ZINC000374601307 532129552 /nfs/dbraw/zinc/12/95/52/532129552.db2.gz HFBCUYHAMFXMTO-HOCLYGCPSA-N 1 0 385.917 1.485 20 0 GDADRO O=C(NC[C@@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000273058526 532131263 /nfs/dbraw/zinc/13/12/63/532131263.db2.gz SJFTULRFNQLRLD-CYBMUJFWSA-N 1 0 379.507 1.566 20 0 GDADRO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)C[C@H]1C(N)=O ZINC000286119878 532132842 /nfs/dbraw/zinc/13/28/42/532132842.db2.gz JMHBFBVQFDOGGE-BXKDBHETSA-N 1 0 387.221 1.283 20 0 GDADRO CS(=O)(=O)CCCCNC(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000425381126 532136834 /nfs/dbraw/zinc/13/68/34/532136834.db2.gz GJVBPEOUZLRWAV-AWEZNQCLSA-N 1 0 389.543 1.245 20 0 GDADRO CCC[N@H+](C)[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000286222234 532136899 /nfs/dbraw/zinc/13/68/99/532136899.db2.gz FQCFJNZADXLDIN-SWLSCSKDSA-N 1 0 375.922 1.777 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c(C)o1 ZINC000273528288 532154786 /nfs/dbraw/zinc/15/47/86/532154786.db2.gz QPPNJNAWCKTQKP-UONOGXRCSA-N 1 0 387.527 1.148 20 0 GDADRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000331234593 532141024 /nfs/dbraw/zinc/14/10/24/532141024.db2.gz DAWXBDNHVMTJAO-MRXNPFEDSA-N 1 0 387.933 1.954 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000331298760 532143260 /nfs/dbraw/zinc/14/32/60/532143260.db2.gz ZXOXSDIYZPOKQP-LBPRGKRZSA-N 1 0 380.436 1.405 20 0 GDADRO C[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1CCC[C@H]1O ZINC000286382988 532146303 /nfs/dbraw/zinc/14/63/03/532146303.db2.gz GSCZIPJEDXKVFN-HUUCEWRRSA-N 1 0 387.311 1.882 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(CS(N)(=O)=O)CC2)c1 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377.222 1.657 20 0 GDADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000286514871 532156022 /nfs/dbraw/zinc/15/60/22/532156022.db2.gz APAPQYULOBPSGJ-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000286526006 532156818 /nfs/dbraw/zinc/15/68/18/532156818.db2.gz NNNKWZSITIGRPC-UHFFFAOYSA-N 1 0 391.559 1.241 20 0 GDADRO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000286529694 532157687 /nfs/dbraw/zinc/15/76/87/532157687.db2.gz KCHFKWNWTFLEJK-CABCVRRESA-N 1 0 388.559 1.416 20 0 GDADRO Cn1cc([C@@H]2CSCCN2S(=O)(=O)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000331967087 532158153 /nfs/dbraw/zinc/15/81/53/532158153.db2.gz VUPDCKQYGRKLEH-KRWDZBQOSA-N 1 0 380.539 1.961 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)s1 ZINC000286548697 532159256 /nfs/dbraw/zinc/15/92/56/532159256.db2.gz COMSLFKARQZEMV-BBRMVZONSA-N 1 0 385.555 1.674 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Br)c2c(c1)OCCO2 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KFCPDHIOSDCKIS-QWRGUYRKSA-N 1 0 384.249 1.903 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375701319 532179205 /nfs/dbraw/zinc/17/92/05/532179205.db2.gz CCDZHLCTCBOLFB-UHFFFAOYSA-N 1 0 375.535 1.791 20 0 GDADRO COc1c(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c(C)nn1C ZINC000375741586 532181852 /nfs/dbraw/zinc/18/18/52/532181852.db2.gz FETJJPSYDQYOAL-CYBMUJFWSA-N 1 0 384.527 1.599 20 0 GDADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332370763 532182950 /nfs/dbraw/zinc/18/29/50/532182950.db2.gz YVPALYYANYANRB-RKDXNWHRSA-N 1 0 388.212 1.734 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000273820059 532172489 /nfs/dbraw/zinc/17/24/89/532172489.db2.gz FPHKZKDXTJZMCN-HNNXBMFYSA-N 1 0 379.791 1.309 20 0 GDADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1cnc(Cl)c(F)c1 ZINC000286749996 532173434 /nfs/dbraw/zinc/17/34/34/532173434.db2.gz DCXSFRWPSYXJPG-UHFFFAOYSA-N 1 0 377.869 1.797 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c(Br)c1 ZINC000286760874 532174276 /nfs/dbraw/zinc/17/42/76/532174276.db2.gz PRUVOKBOHGCREE-VIFPVBQESA-N 1 0 379.276 1.464 20 0 GDADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1nnc2ccc(Br)cn21 ZINC000332240959 532174280 /nfs/dbraw/zinc/17/42/80/532174280.db2.gz IYRKSRFSHZTDFA-GFCCVEGCSA-N 1 0 381.278 2.296 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000332522241 532192185 /nfs/dbraw/zinc/19/21/85/532192185.db2.gz ZPNQVMHDUVEYIZ-BFQNTYOBSA-N 1 0 394.313 1.837 20 0 GDADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332546103 532194368 /nfs/dbraw/zinc/19/43/68/532194368.db2.gz GKRDNWBCWYUYKI-PELKAZGASA-N 1 0 388.212 1.876 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)cc1Br ZINC000332542851 532194459 /nfs/dbraw/zinc/19/44/59/532194459.db2.gz DVBBGWIXADEIGH-QWRGUYRKSA-N 1 0 384.249 1.903 20 0 GDADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332555034 532194923 /nfs/dbraw/zinc/19/49/23/532194923.db2.gz MGUKLWZFCKIAFZ-RKDXNWHRSA-N 1 0 388.212 1.734 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1F ZINC000427954259 532195290 /nfs/dbraw/zinc/19/52/90/532195290.db2.gz ASWMZRLEUJGXHI-NSHDSACASA-N 1 0 381.495 1.383 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332562786 532195379 /nfs/dbraw/zinc/19/53/79/532195379.db2.gz RMMRFVAVGPTRNV-GHMZBOCLSA-N 1 0 399.232 1.298 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N1CC[NH2+][C@H](C)C1)CC2 ZINC000332579049 532196607 /nfs/dbraw/zinc/19/66/07/532196607.db2.gz DXJKBCNNHWRXKN-GFCCVEGCSA-N 1 0 380.286 1.463 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)CC2 ZINC000332592865 532198669 /nfs/dbraw/zinc/19/86/69/532198669.db2.gz KACLFSFIIUPOOY-WBMJQRKESA-N 1 0 394.313 1.838 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC[N@@H+]1C ZINC000332442051 532186727 /nfs/dbraw/zinc/18/67/27/532186727.db2.gz CFMNMQBYQLBCES-MLGOLLRUSA-N 1 0 394.313 1.933 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000332466306 532188287 /nfs/dbraw/zinc/18/82/87/532188287.db2.gz KVMQCICSRUPFPF-ZDUSSCGKSA-N 1 0 394.313 1.975 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000332479207 532189113 /nfs/dbraw/zinc/18/91/13/532189113.db2.gz LWYRXKNHJSCTNW-MEBBXXQBSA-N 1 0 398.276 1.587 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000332488275 532189961 /nfs/dbraw/zinc/18/99/61/532189961.db2.gz OCURBBYCXHKYFU-BMIGLBTASA-N 1 0 398.276 1.587 20 0 GDADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@H]1[NH3+] ZINC000332709501 532207203 /nfs/dbraw/zinc/20/72/03/532207203.db2.gz UXXBOGYBCCFYDO-KCPJHIHWSA-N 1 0 395.301 1.933 20 0 GDADRO [NH3+]C1(CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CCCCC1 ZINC000428474485 532209066 /nfs/dbraw/zinc/20/90/66/532209066.db2.gz SIVKTYNHTAYTKU-UHFFFAOYSA-N 1 0 387.527 1.160 20 0 GDADRO NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000287325044 532209324 /nfs/dbraw/zinc/20/93/24/532209324.db2.gz VLQQSKIBWPZYGJ-TZMCWYRMSA-N 1 0 378.416 1.516 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000428532884 532209486 /nfs/dbraw/zinc/20/94/86/532209486.db2.gz CNHDTEUJICMDRX-ZBFHGGJFSA-N 1 0 384.318 1.994 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000274418444 532209612 /nfs/dbraw/zinc/20/96/12/532209612.db2.gz HVWLDNDECMIFII-UHFFFAOYSA-N 1 0 379.791 1.310 20 0 GDADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000428620156 532213283 /nfs/dbraw/zinc/21/32/83/532213283.db2.gz DYUXTEPAEIEVOB-IXXDHKBRSA-N 1 0 383.539 1.691 20 0 GDADRO O=C(c1cc(Br)ccc1F)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428621514 532213340 /nfs/dbraw/zinc/21/33/40/532213340.db2.gz JRLQPULTOCXAQY-LBPRGKRZSA-N 1 0 398.276 1.872 20 0 GDADRO O=C(Cc1ccccc1Br)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428630009 532213442 /nfs/dbraw/zinc/21/34/42/532213442.db2.gz WULCYDFUJGWDBJ-OAHLLOKOSA-N 1 0 394.313 1.662 20 0 GDADRO O=C(CN1CC[C@@H](C(=O)N2CCCC2)C1)Nc1ccc(Br)cn1 ZINC000287426972 532215062 /nfs/dbraw/zinc/21/50/62/532215062.db2.gz PGTWTWPSMFCHMN-GFCCVEGCSA-N 1 0 381.274 1.727 20 0 GDADRO CO[C@H](C)c1nc(CN2CCCN(C[C@@H]3CCS(=O)(=O)C3)CC2)cs1 ZINC000333033962 532216009 /nfs/dbraw/zinc/21/60/09/532216009.db2.gz NATSODPUGSXWLU-CABCVRRESA-N 1 0 387.571 1.793 20 0 GDADRO C[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428801993 532217009 /nfs/dbraw/zinc/21/70/09/532217009.db2.gz INASRVQDRINLAX-UONOGXRCSA-N 1 0 380.432 1.575 20 0 GDADRO C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428792680 532217252 /nfs/dbraw/zinc/21/72/52/532217252.db2.gz IOTRDCNYCQWZHC-GFCCVEGCSA-N 1 0 382.404 1.930 20 0 GDADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333104214 532219240 /nfs/dbraw/zinc/21/92/40/532219240.db2.gz FHTBYHXYLOTZHK-PHIMTYICSA-N 1 0 377.246 1.713 20 0 GDADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332633069 532201595 /nfs/dbraw/zinc/20/15/95/532201595.db2.gz WZXJLPXNOKFIBX-BDAKNGLRSA-N 1 0 388.212 1.734 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(C)(C)C[NH+](C)C ZINC000332653489 532203535 /nfs/dbraw/zinc/20/35/35/532203535.db2.gz MWDUZHQPZCSWKX-KBPBESRZSA-N 1 0 387.571 1.994 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c(C)o1 ZINC000274719275 532227641 /nfs/dbraw/zinc/22/76/41/532227641.db2.gz CFYWGRTUXGEDRH-OCCSQVGLSA-N 1 0 388.511 1.575 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(Cl)c1Cl ZINC000376776808 532229063 /nfs/dbraw/zinc/22/90/63/532229063.db2.gz JKVYNPHRKNHXCE-NSHDSACASA-N 1 0 394.324 1.670 20 0 GDADRO C[C@H]([NH3+])c1ccc(CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1 ZINC000429508535 532229634 /nfs/dbraw/zinc/22/96/34/532229634.db2.gz CGIXWRZUUJIKTH-VIFPVBQESA-N 1 0 381.230 1.048 20 0 GDADRO O=C(Nc1cc(N2CCOCC2)c(Br)cn1)N1CCC[NH2+]CC1 ZINC000333339769 532229827 /nfs/dbraw/zinc/22/98/27/532229827.db2.gz PNKDOLWLZOFWJV-UHFFFAOYSA-N 1 0 384.278 1.508 20 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532221792 /nfs/dbraw/zinc/22/17/92/532221792.db2.gz KUVJPWREGDAGKJ-MFKMUULPSA-N 1 0 377.246 1.855 20 0 GDADRO OC[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(Br)c(F)c1 ZINC000429025471 532222114 /nfs/dbraw/zinc/22/21/14/532222114.db2.gz BFVOIOKVBVQTLG-MLGOLLRUSA-N 1 0 392.265 1.768 20 0 GDADRO CCCN(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000429109517 532223143 /nfs/dbraw/zinc/22/31/43/532223143.db2.gz MGALMPINPXMMPZ-LBPRGKRZSA-N 1 0 375.441 1.234 20 0 GDADRO O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCC[C@@H]1CC[NH2+]C1 ZINC000429111175 532223192 /nfs/dbraw/zinc/22/31/92/532223192.db2.gz FYFCOZRRSJSYJO-NSHDSACASA-N 1 0 394.269 1.551 20 0 GDADRO C[C@@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[C@H]1[NH3+] ZINC000429137703 532223844 /nfs/dbraw/zinc/22/38/44/532223844.db2.gz BVZGINAJOPMQHD-ZWNOBZJWSA-N 1 0 379.258 1.355 20 0 GDADRO C[NH+](C)C1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333190378 532224434 /nfs/dbraw/zinc/22/44/34/532224434.db2.gz NZMKXUDCAGPABU-UHFFFAOYSA-N 1 0 384.278 1.458 20 0 GDADRO 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C[N@H+](CCO)C1CCN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000736802409 598962963 /nfs/dbraw/zinc/96/29/63/598962963.db2.gz RSRUMVDOGUJNSZ-UHFFFAOYSA-N 1 0 390.492 1.344 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000737224526 598996995 /nfs/dbraw/zinc/99/69/95/598996995.db2.gz WMXMBVHHLQDIAV-CQSZACIVSA-N 1 0 378.502 1.718 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000737222065 599001048 /nfs/dbraw/zinc/00/10/48/599001048.db2.gz UYLLUSFXEJKCAA-UHFFFAOYSA-N 1 0 392.529 1.916 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737220149 599006699 /nfs/dbraw/zinc/00/66/99/599006699.db2.gz DANBPHKPKXWXOP-INIZCTEOSA-N 1 0 390.513 1.814 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000736617489 599017015 /nfs/dbraw/zinc/01/70/15/599017015.db2.gz YLRJBRLIVKKPEA-QAPCUYQASA-N 1 0 386.500 1.662 20 0 GDADRO c1cnn(C[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2)c1 ZINC000738425016 599054453 /nfs/dbraw/zinc/05/44/53/599054453.db2.gz JRHKQCPWIDVTSQ-PBHICJAKSA-N 1 0 390.455 1.333 20 0 GDADRO COc1ccc([C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000737074069 599073114 /nfs/dbraw/zinc/07/31/14/599073114.db2.gz DPGHEUZPVFKJKK-WMZOPIPTSA-N 1 0 378.436 1.891 20 0 GDADRO C[NH+](C)C1(CNC(=O)COc2ccccc2-c2nn[nH]n2)Cc2ccccc2C1 ZINC000736755643 599085121 /nfs/dbraw/zinc/08/51/21/599085121.db2.gz CEUDYQSYGXMNLY-UHFFFAOYSA-N 1 0 392.463 1.461 20 0 GDADRO COc1ccc(CC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000737090242 599085339 /nfs/dbraw/zinc/08/53/39/599085339.db2.gz KMZSXNBUGKPCQX-KRWDZBQOSA-N 1 0 382.424 1.243 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000820909588 599087860 /nfs/dbraw/zinc/08/78/60/599087860.db2.gz XYTAQXXPCSDVIX-LLVKDONJSA-N 1 0 389.410 1.586 20 0 GDADRO C[C@H](CN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736025596 599099960 /nfs/dbraw/zinc/09/99/60/599099960.db2.gz LWUKGIAKSLHBCD-KDOFPFPSSA-N 1 0 379.468 1.503 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737842405 599134498 /nfs/dbraw/zinc/13/44/98/599134498.db2.gz BHWVATVCRFJKES-MRXNPFEDSA-N 1 0 397.483 1.530 20 0 GDADRO CCc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)n(C)n1 ZINC000736675354 599188188 /nfs/dbraw/zinc/18/81/88/599188188.db2.gz JZZLVWKGKKTMLK-UHFFFAOYSA-N 1 0 397.487 1.758 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cccc1-c1nn[nH]n1 ZINC000822045055 607276223 /nfs/dbraw/zinc/27/62/23/607276223.db2.gz OKIGVPSPBNIBOT-OAHLLOKOSA-N 1 0 397.483 1.591 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1-c1nn[nH]n1 ZINC000822053243 607277242 /nfs/dbraw/zinc/27/72/42/607277242.db2.gz LDCAPNACBDEQKM-CQSZACIVSA-N 1 0 385.472 1.350 20 0 GDADRO C[C@H](Oc1cccnc1)C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736192351 599262417 /nfs/dbraw/zinc/26/24/17/599262417.db2.gz YKUOREBLZRSAET-HNNXBMFYSA-N 1 0 395.467 1.619 20 0 GDADRO NC(=O)C1CC[NH+](Cc2cccc(NCc3ccc(-c4nn[nH]n4)o3)c2)CC1 ZINC000822865105 607310400 /nfs/dbraw/zinc/31/04/00/607310400.db2.gz VJZJSAKGZKJGML-UHFFFAOYSA-N 1 0 381.440 1.769 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2ccc(-c3nn[nH]n3)s2)c1 ZINC000822864554 607313757 /nfs/dbraw/zinc/31/37/57/607313757.db2.gz DBGDTHAPALDIGZ-OAHLLOKOSA-N 1 0 383.481 1.990 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736568879 599283307 /nfs/dbraw/zinc/28/33/07/599283307.db2.gz DJHQPQVPJRTOPX-GFCCVEGCSA-N 1 0 391.863 1.449 20 0 GDADRO CC[NH+]1CCC(N[C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000736573584 599286983 /nfs/dbraw/zinc/28/69/83/599286983.db2.gz ZXDQGLLMPLMJMS-LLVKDONJSA-N 1 0 389.529 1.818 20 0 GDADRO Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(-c2nn[nH]n2)c1C ZINC000822509546 607332073 /nfs/dbraw/zinc/33/20/73/607332073.db2.gz AEKXSRVWBUNWNL-UHFFFAOYSA-N 1 0 385.520 1.268 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@H]1CCOC3(CCSCC3)C1)C2 ZINC000823820671 607334915 /nfs/dbraw/zinc/33/49/15/607334915.db2.gz IYDOEUNVXRAXIU-OLZOCXBDSA-N 1 0 390.517 1.139 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820709647 607335697 /nfs/dbraw/zinc/33/56/97/607335697.db2.gz KNIMLIZQUMXXRL-VXGBXAGGSA-N 1 0 389.435 1.181 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC000821252707 607343149 /nfs/dbraw/zinc/34/31/49/607343149.db2.gz BIHFCLLXCABJBW-AAEUAGOBSA-N 1 0 389.435 1.276 20 0 GDADRO CC(C)C(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735684960 598250447 /nfs/dbraw/zinc/25/04/47/598250447.db2.gz MNXABTBBEGSUSB-MRXNPFEDSA-N 1 0 385.472 1.432 20 0 GDADRO O[C@H](COCc1ccco1)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738385352 598262211 /nfs/dbraw/zinc/26/22/11/598262211.db2.gz HTZITSDRWVZJQC-INIZCTEOSA-N 1 0 399.451 1.881 20 0 GDADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736851912 598268996 /nfs/dbraw/zinc/26/89/96/598268996.db2.gz MOFVGFMLMAJYEX-UHFFFAOYSA-N 1 0 386.504 1.034 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736264816 598283364 /nfs/dbraw/zinc/28/33/64/598283364.db2.gz GTMZIYIBOLZIJM-INIZCTEOSA-N 1 0 398.515 1.430 20 0 GDADRO CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735832296 598318699 /nfs/dbraw/zinc/31/86/99/598318699.db2.gz ZBVFWTRICIGRGB-UHFFFAOYSA-N 1 0 375.452 1.925 20 0 GDADRO O=C1[C@@H]([NH+]2CCC(Cn3cccn3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738288637 598369027 /nfs/dbraw/zinc/36/90/27/598369027.db2.gz DAMLVEQUWDFQOP-SFHVURJKSA-N 1 0 392.467 1.581 20 0 GDADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735660805 598374895 /nfs/dbraw/zinc/37/48/95/598374895.db2.gz PIYMLPAGRKJDAQ-KGLIPLIRSA-N 1 0 388.476 1.408 20 0 GDADRO COc1ccc(C[C@H](C)[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)cc1OC ZINC000737086245 598387830 /nfs/dbraw/zinc/38/78/30/598387830.db2.gz GHLBECOTFFMABU-LBPRGKRZSA-N 1 0 394.439 1.647 20 0 GDADRO CC1(C)CC(NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC(C)(C)[NH2+]1 ZINC000736212450 598399832 /nfs/dbraw/zinc/39/98/32/598399832.db2.gz ZPPYWPYYWIGUBG-UHFFFAOYSA-N 1 0 385.472 1.022 20 0 GDADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736226817 598404525 /nfs/dbraw/zinc/40/45/25/598404525.db2.gz YIYLXXBLINIOFC-ZNMIVQPWSA-N 1 0 399.499 1.079 20 0 GDADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736570300 598438439 /nfs/dbraw/zinc/43/84/39/598438439.db2.gz XUGOELPAUPKPSR-UHFFFAOYSA-N 1 0 378.440 1.656 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736769033 598445711 /nfs/dbraw/zinc/44/57/11/598445711.db2.gz NGOIOYHLQCYCRL-UHFFFAOYSA-N 1 0 393.451 1.088 20 0 GDADRO COCCOc1cc2c(cc1C[NH2+]Cc1cccc(-c3nn[nH]n3)c1)OCO2 ZINC000737010932 598465812 /nfs/dbraw/zinc/46/58/12/598465812.db2.gz KNAIHDJNGYUABU-UHFFFAOYSA-N 1 0 383.408 1.910 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000737023231 598466426 /nfs/dbraw/zinc/46/64/26/598466426.db2.gz IVSQTVLZKGHMMQ-OKILXGFUSA-N 1 0 388.472 1.633 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000737288118 598485529 /nfs/dbraw/zinc/48/55/29/598485529.db2.gz IBHBTABSCRNPMK-ZIAGYGMSSA-N 1 0 385.472 1.493 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)CSc2nc(C)c(C)c(C)c2-c2nn[nH]n2)C1 ZINC000736565489 598486791 /nfs/dbraw/zinc/48/67/91/598486791.db2.gz KUDGDTAYXSVWFO-AWEZNQCLSA-N 1 0 389.529 1.737 20 0 GDADRO C[NH+]1CCN(C[C@H](NC(=O)c2sccc2-c2nn[nH]n2)c2ccccc2)CC1 ZINC000736864061 598500161 /nfs/dbraw/zinc/50/01/61/598500161.db2.gz ORANZYHHCNAANH-INIZCTEOSA-N 1 0 397.508 1.647 20 0 GDADRO CCCO[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736489685 598507090 /nfs/dbraw/zinc/50/70/90/598507090.db2.gz ZTCONPHCUNCDFX-IAGOWNOFSA-N 1 0 375.473 1.888 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736861069 598514514 /nfs/dbraw/zinc/51/45/14/598514514.db2.gz YAHQWSQMWCGJRQ-GOSISDBHSA-N 1 0 398.515 1.178 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCCn1cnc3ccccc31)C2 ZINC000738443457 598519655 /nfs/dbraw/zinc/51/96/55/598519655.db2.gz WIRTYIWLJARIDY-ZDUSSCGKSA-N 1 0 378.444 1.135 20 0 GDADRO CC(C)OCc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735905204 598519658 /nfs/dbraw/zinc/51/96/58/598519658.db2.gz YJXITHUKQIQVML-AWEZNQCLSA-N 1 0 382.472 1.820 20 0 GDADRO Fc1ccc([C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)[C@H]2CCCO2)cc1 ZINC000737650238 598528108 /nfs/dbraw/zinc/52/81/08/598528108.db2.gz OFRFEHHRZBCQKF-JLZZUVOBSA-N 1 0 398.446 1.754 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736987497 598561942 /nfs/dbraw/zinc/56/19/42/598561942.db2.gz DFUUNLHKNRLXMD-UHFFFAOYSA-N 1 0 399.402 1.558 20 0 GDADRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000736524997 598562983 /nfs/dbraw/zinc/56/29/83/598562983.db2.gz YDYICFNSGHMHJN-ZDUSSCGKSA-N 1 0 391.501 1.590 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)NCCSCc2ccccc2-c2nn[nH]n2)C1 ZINC000736756754 598605609 /nfs/dbraw/zinc/60/56/09/598605609.db2.gz LFLXABOJXNEMJN-AWEZNQCLSA-N 1 0 375.502 1.445 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736859361 598613618 /nfs/dbraw/zinc/61/36/18/598613618.db2.gz GCMSKCNQEFSJPF-QRVBRYPASA-N 1 0 395.511 1.921 20 0 GDADRO Clc1ccc(-c2nn[nH]n2)c(NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000737571214 598632689 /nfs/dbraw/zinc/63/26/89/598632689.db2.gz WVIBFMSUQPHVQM-UHFFFAOYSA-N 1 0 399.890 1.934 20 0 GDADRO c1ccc(C[C@H](CN2CCOCC2)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000738429123 598714861 /nfs/dbraw/zinc/71/48/61/598714861.db2.gz UFGSGMYDKLGTCT-HXUWFJFHSA-N 1 0 378.480 1.900 20 0 GDADRO O=C([C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1)N1CCCC1 ZINC000737789146 598728285 /nfs/dbraw/zinc/72/82/85/598728285.db2.gz BASRLFUYDWNUOD-OAHLLOKOSA-N 1 0 379.468 1.954 20 0 GDADRO CCCC[N@H+](CCO)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736457462 598758238 /nfs/dbraw/zinc/75/82/38/598758238.db2.gz VRHVGZLWNNIGSK-UHFFFAOYSA-N 1 0 378.502 1.840 20 0 GDADRO CC[N@H+](CCNC(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000736536502 598783874 /nfs/dbraw/zinc/78/38/74/598783874.db2.gz KBTDLFFYZLAJQK-UHFFFAOYSA-N 1 0 399.499 1.904 20 0 GDADRO CC1(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)COC1 ZINC000736216452 598798613 /nfs/dbraw/zinc/79/86/13/598798613.db2.gz IVBGSMHQWBWCOY-UHFFFAOYSA-N 1 0 385.472 1.121 20 0 GDADRO Cc1csc(C2([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)n1 ZINC000737455540 598799117 /nfs/dbraw/zinc/79/91/17/598799117.db2.gz RYMLAPKJHWRPCV-GFCCVEGCSA-N 1 0 385.501 1.929 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc(O)cc1O ZINC000736767088 598805514 /nfs/dbraw/zinc/80/55/14/598805514.db2.gz LBWCNJCQITVFHX-UHFFFAOYSA-N 1 0 382.424 1.482 20 0 GDADRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC000737604556 598813439 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C[C@H](C[NH+]1CCN(C)CC1)Nc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21 ZINC000820260588 599543962 /nfs/dbraw/zinc/54/39/62/599543962.db2.gz JDNJCMBSYCCLIZ-GFCCVEGCSA-N 1 0 386.891 1.538 20 0 GDADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CC[C@@H](C[NH+]4CCOCC4)C3)o2)c1 ZINC000823737504 599578857 /nfs/dbraw/zinc/57/88/57/599578857.db2.gz GAKAHCPDHDTRDE-AWEZNQCLSA-N 1 0 396.455 1.071 20 0 GDADRO c1cn(C[N@@H+]2CCC[C@H](C3OCCO3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738405519 599580113 /nfs/dbraw/zinc/58/01/13/599580113.db2.gz RAWSWZCZYUWYCD-INIZCTEOSA-N 1 0 381.440 1.773 20 0 GDADRO O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738356669 599598361 /nfs/dbraw/zinc/59/83/61/599598361.db2.gz HYXWDQNMMOCMPL-CQSZACIVSA-N 1 0 376.486 1.506 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C)c1-c1nn[nH]n1 ZINC000821064963 599606707 /nfs/dbraw/zinc/60/67/07/599606707.db2.gz CPYIAFGOOAJXBT-HNNXBMFYSA-N 1 0 399.499 1.884 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C 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389.529 1.303 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000827796027 600795736 /nfs/dbraw/zinc/79/57/36/600795736.db2.gz JLUSZMQDLMAKCG-CJNGLKHVSA-N 1 0 395.525 1.576 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1ccc(-c2nn[nH]n2)cc1F ZINC000821575977 607478793 /nfs/dbraw/zinc/47/87/93/607478793.db2.gz XCXRRFMYYKOQHM-MRXNPFEDSA-N 1 0 375.452 1.038 20 0 GDADRO CC(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000820184164 607483193 /nfs/dbraw/zinc/48/31/93/607483193.db2.gz VEHACIZWCVVBFU-UHFFFAOYSA-N 1 0 382.465 1.298 20 0 GDADRO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)C1CCN(CCc2ccccn2)CC1 ZINC000825985950 607510459 /nfs/dbraw/zinc/51/04/59/607510459.db2.gz HTLCNDMQQQCEPM-UHFFFAOYSA-N 1 0 378.484 1.796 20 0 GDADRO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1C(=O)[O-] ZINC000828438563 601536578 /nfs/dbraw/zinc/53/65/78/601536578.db2.gz DYIQISKMQCROLW-RHSMWYFYSA-N 1 0 377.510 1.826 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261484 607514692 /nfs/dbraw/zinc/51/46/92/607514692.db2.gz LKVIUIRHNYGIJZ-CQSZACIVSA-N 1 0 385.472 1.289 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825221315 607529089 /nfs/dbraw/zinc/52/90/89/607529089.db2.gz ZRYYKFVZEUYNEO-JKSUJKDBSA-N 1 0 390.513 1.199 20 0 GDADRO Cn1ccnc1[C@H](O)C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826364349 607529439 /nfs/dbraw/zinc/52/94/39/607529439.db2.gz SUEFEDMQUMSFJH-GOSISDBHSA-N 1 0 397.483 1.815 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1ccc(OCc2ccnc(-c3nn[nH]n3)c2)cc1 ZINC000825412135 607546501 /nfs/dbraw/zinc/54/65/01/607546501.db2.gz LSXDEEUCCFTICN-UHFFFAOYSA-N 1 0 395.467 1.912 20 0 GDADRO COc1ccc(CNC(=O)NC2CC[NH+](CC(C)C)CC2)cc1-c1nn[nH]n1 ZINC000826198739 607561868 /nfs/dbraw/zinc/56/18/68/607561868.db2.gz HHPWUORGFZYCCZ-UHFFFAOYSA-N 1 0 387.488 1.795 20 0 GDADRO COc1ccc(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1-c1nn[nH]n1 ZINC000826199876 607570085 /nfs/dbraw/zinc/57/00/85/607570085.db2.gz PLEMMEIMLAINTQ-OAHLLOKOSA-N 1 0 387.488 1.652 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000824936926 607579459 /nfs/dbraw/zinc/57/94/59/607579459.db2.gz NHTCCYMNSZFSGB-LBPRGKRZSA-N 1 0 382.465 1.549 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000824946438 607588029 /nfs/dbraw/zinc/58/80/29/607588029.db2.gz JJWTTXLOCUTUGZ-NEPJUHHUSA-N 1 0 398.920 1.919 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](C)C1 ZINC000824948396 607588692 /nfs/dbraw/zinc/58/86/92/607588692.db2.gz USNZKLJCJBHBFE-RYUDHWBXSA-N 1 0 382.465 1.405 20 0 GDADRO Cc1cccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1-c1nn[nH]n1 ZINC000826302990 607592670 /nfs/dbraw/zinc/59/26/70/607592670.db2.gz XRHSNVSBJAGLMG-UHFFFAOYSA-N 1 0 376.486 1.328 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)[NH+]1CCC(C)CC1 ZINC000824957597 607600659 /nfs/dbraw/zinc/60/06/59/607600659.db2.gz 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377.452 1.858 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(-c2nn[nH]n2)cc1OC ZINC000821254287 606277183 /nfs/dbraw/zinc/27/71/83/606277183.db2.gz KXTLZOPJTJRQOB-CABCVRRESA-N 1 0 386.456 1.339 20 0 GDADRO C[C@H]1C[NH+](CCCCNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000820758849 606296047 /nfs/dbraw/zinc/29/60/47/606296047.db2.gz DUAMHHIRQIABKB-HOTGVXAUSA-N 1 0 386.500 1.805 20 0 GDADRO Cc1ccc([C@H](O)C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822230639 606308262 /nfs/dbraw/zinc/30/82/62/606308262.db2.gz MJMNPRSZGCIXQA-QGZVFWFLSA-N 1 0 387.465 1.272 20 0 GDADRO CO[C@]1(C)C[C@@H]([NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1(C)C ZINC000821679128 606310028 /nfs/dbraw/zinc/31/00/28/606310028.db2.gz XLFKCMXIOMORPJ-XWCIJXRUSA-N 1 0 376.486 1.827 20 0 GDADRO CN(CC[NH+](C)C)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821584503 606342670 /nfs/dbraw/zinc/34/26/70/606342670.db2.gz HBNWMKSFOBLSNQ-UHFFFAOYSA-N 1 0 378.380 1.068 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000821189644 606352573 /nfs/dbraw/zinc/35/25/73/606352573.db2.gz QZCKESXKMWDHKB-AWEZNQCLSA-N 1 0 391.451 1.970 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821583220 606354418 /nfs/dbraw/zinc/35/44/18/606354418.db2.gz MWRJGMUQCQQBNE-UHFFFAOYSA-N 1 0 376.440 1.153 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCNc2ncccc2-c2nn[nH]n2)C[C@@H]1C ZINC000821252815 606383903 /nfs/dbraw/zinc/38/39/03/606383903.db2.gz CENOYVLLGBOTDL-KBPBESRZSA-N 1 0 387.492 1.188 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820709185 606397414 /nfs/dbraw/zinc/39/74/14/606397414.db2.gz FRQSYXVSRUWZPF-RYUDHWBXSA-N 1 0 389.435 1.181 20 0 GDADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC000821637621 606416390 /nfs/dbraw/zinc/41/63/90/606416390.db2.gz NDWFQCCWEGYKSH-JTQLQIEISA-N 1 0 378.483 1.687 20 0 GDADRO O=C1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1CCOc1ccccc1 ZINC000823521747 606422544 /nfs/dbraw/zinc/42/25/44/606422544.db2.gz ZTPOEABHXRNYJW-ZDUSSCGKSA-N 1 0 384.465 1.698 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000821688305 606452290 /nfs/dbraw/zinc/45/22/90/606452290.db2.gz GHKQUPQQCXRJQT-LBPRGKRZSA-N 1 0 375.477 1.744 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000823699788 606528217 /nfs/dbraw/zinc/52/82/17/606528217.db2.gz XTAGHJKGXQWVMX-XIRDDKMYSA-N 1 0 375.498 1.966 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(-c3nn[nH]n3)s2)CC1 ZINC000820684218 606542603 /nfs/dbraw/zinc/54/26/03/606542603.db2.gz NMCOIRCDLXCPTJ-OKILXGFUSA-N 1 0 389.529 1.559 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821625960 606554789 /nfs/dbraw/zinc/55/47/89/606554789.db2.gz ZGVNXNFNGMVLHY-GOSISDBHSA-N 1 0 383.500 1.038 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)s2)[C@H](C)C1 ZINC000821378130 606563205 /nfs/dbraw/zinc/56/32/05/606563205.db2.gz JFSLGECGKOKXGO-OLZOCXBDSA-N 1 0 378.502 1.795 20 0 GDADRO C[NH+](C)C1(CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)Cc2ccccc2C1 ZINC000821581279 606572749 /nfs/dbraw/zinc/57/27/49/606572749.db2.gz HVAVZHGNVRYTTL-UHFFFAOYSA-N 1 0 376.464 1.625 20 0 GDADRO CC[N@H+]1C[C@H](NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)[C@@H](C)C1 ZINC000821240888 606679063 /nfs/dbraw/zinc/67/90/63/606679063.db2.gz JPLXTJXPCIWHAM-HOCLYGCPSA-N 1 0 384.488 1.039 20 0 GDADRO CCN(C(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)c1ccccc1 ZINC000821148266 606700325 /nfs/dbraw/zinc/70/03/25/606700325.db2.gz NDKOLPLYHLQZLP-ZDUSSCGKSA-N 1 0 397.487 1.478 20 0 GDADRO Cc1ccc(-c2noc(C[N@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)n2)cc1 ZINC000822224014 606700896 /nfs/dbraw/zinc/70/08/96/606700896.db2.gz SMHHUZWXYBGCGD-UHFFFAOYSA-N 1 0 394.443 1.595 20 0 GDADRO O=S(=O)(N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1)C(F)(F)F ZINC000823567064 606732115 /nfs/dbraw/zinc/73/21/15/606732115.db2.gz OHCMJJAAERGDTA-UHFFFAOYSA-N 1 0 396.420 1.332 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)CCCC1 ZINC000821581238 606734981 /nfs/dbraw/zinc/73/49/81/606734981.db2.gz HAUQYKZUPQQJFT-UHFFFAOYSA-N 1 0 391.863 1.449 20 0 GDADRO CC1CC[NH+](CC(=O)NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000820722590 606804575 /nfs/dbraw/zinc/80/45/75/606804575.db2.gz KHEGPNPXXPPCBD-UHFFFAOYSA-N 1 0 384.488 1.079 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000821109209 606807211 /nfs/dbraw/zinc/80/72/11/606807211.db2.gz CORIKSPWKLJXED-GOSISDBHSA-N 1 0 399.499 1.641 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000822215237 606819292 /nfs/dbraw/zinc/81/92/92/606819292.db2.gz SALKCXALYLQYFX-HNNXBMFYSA-N 1 0 385.472 1.446 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000821625524 606844068 /nfs/dbraw/zinc/84/40/68/606844068.db2.gz QCJBQQHCJUVFPI-UONOGXRCSA-N 1 0 380.449 1.253 20 0 GDADRO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821609571 606850440 /nfs/dbraw/zinc/85/04/40/606850440.db2.gz CPXYPXTWOXFJIR-LJQANCHMSA-N 1 0 392.463 1.924 20 0 GDADRO Cc1cccc(C)c1OCC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000822299941 606853599 /nfs/dbraw/zinc/85/35/99/606853599.db2.gz ZUFKHZDOCWNZJN-INIZCTEOSA-N 1 0 394.483 1.863 20 0 GDADRO CN(c1cccnn1)C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821619034 606859016 /nfs/dbraw/zinc/85/90/16/606859016.db2.gz GRNHXWPFDLVBCR-KRWDZBQOSA-N 1 0 380.456 1.291 20 0 GDADRO C[C@H](c1ccccc1)[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC(N)=O ZINC000822005466 606883356 /nfs/dbraw/zinc/88/33/56/606883356.db2.gz RNCAEBNDMRYXQC-GFCCVEGCSA-N 1 0 399.480 1.805 20 0 GDADRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821572211 606908497 /nfs/dbraw/zinc/90/84/97/606908497.db2.gz VYRDBYMZAUFZMS-HZPDHXFCSA-N 1 0 388.472 1.841 20 0 GDADRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820300554 606913543 /nfs/dbraw/zinc/91/35/43/606913543.db2.gz QORFPNRGVFMNHZ-KSSFIOAISA-N 1 0 383.452 1.875 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820752512 606915922 /nfs/dbraw/zinc/91/59/22/606915922.db2.gz NVJHVGLRQWWKRB-OTYXRUKQSA-N 1 0 382.877 1.281 20 0 GDADRO CCc1nnc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(-c2nn[nH]n2)c1CC ZINC000821517181 606932534 /nfs/dbraw/zinc/93/25/34/606932534.db2.gz GVUBIRKCDXSSSX-CYBMUJFWSA-N 1 0 388.520 1.311 20 0 GDADRO CCc1nnc(N2CC[C@H](OCC[NH+](CC)CC)C2)c(-c2nn[nH]n2)c1CC ZINC000821521549 606941473 /nfs/dbraw/zinc/94/14/73/606941473.db2.gz FRHQOBZUAJBEIS-AWEZNQCLSA-N 1 0 388.520 1.719 20 0 GDADRO CCOC(=O)[C@@H]1CCC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736590052 607001520 /nfs/dbraw/zinc/00/15/20/607001520.db2.gz DESYULJMPKHWIY-MRXNPFEDSA-N 1 0 396.455 1.666 20 0 GDADRO C[C@@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414574 607014003 /nfs/dbraw/zinc/01/40/03/607014003.db2.gz 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ZINC000824991871 608149971 /nfs/dbraw/zinc/14/99/71/608149971.db2.gz HTEDLTIBPAEEJR-LRDDRELGSA-N 1 0 377.443 1.607 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826479320 608170475 /nfs/dbraw/zinc/17/04/75/608170475.db2.gz WLBCTSQUEVQTLY-CJNGLKHVSA-N 1 0 383.456 1.186 20 0 GDADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824859496 608210265 /nfs/dbraw/zinc/21/02/65/608210265.db2.gz PMOUYCHHQGLGEV-NWDGAFQWSA-N 1 0 389.529 1.770 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cn1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000826413817 608217706 /nfs/dbraw/zinc/21/77/06/608217706.db2.gz SWWLUTXRWBQJCT-KRWDZBQOSA-N 1 0 392.467 1.627 20 0 GDADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC000825195013 608222694 /nfs/dbraw/zinc/22/26/94/608222694.db2.gz URSRVYQDIDWBOJ-AWEZNQCLSA-N 1 0 386.504 1.690 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826060919 608238846 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COCCN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000826158579 608450938 /nfs/dbraw/zinc/45/09/38/608450938.db2.gz UWSDZLOOHFVUNE-UHFFFAOYSA-N 1 0 394.451 1.979 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553739 608463635 /nfs/dbraw/zinc/46/36/35/608463635.db2.gz GNTDLFRIZVPUEH-WWGRRREGSA-N 1 0 385.472 1.922 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824618547 608465200 /nfs/dbraw/zinc/46/52/00/608465200.db2.gz OZRDGVSRHXBALK-CYBMUJFWSA-N 1 0 386.481 1.968 20 0 GDADRO CC(C)C(=O)NCC[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824185332 608467233 /nfs/dbraw/zinc/46/72/33/608467233.db2.gz WDGAWEAVJHBJQR-UHFFFAOYSA-N 1 0 393.879 1.553 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826187952 608472101 /nfs/dbraw/zinc/47/21/01/608472101.db2.gz JJKNNZHEEZSULL-CYBMUJFWSA-N 1 0 396.451 1.851 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1cccc(-c2nn[nH]n2)c1 ZINC000824555838 608491830 /nfs/dbraw/zinc/49/18/30/608491830.db2.gz YHLTYYZXIYZTGZ-ZDUSSCGKSA-N 1 0 386.456 1.319 20 0 GDADRO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825499529 608493059 /nfs/dbraw/zinc/49/30/59/608493059.db2.gz OAJFFBHWQDFPSE-XJKSGUPXSA-N 1 0 386.456 1.462 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000824563685 608493476 /nfs/dbraw/zinc/49/34/76/608493476.db2.gz PIFBBODSYWUTGI-GFCCVEGCSA-N 1 0 391.435 1.675 20 0 GDADRO COc1ccc(C2([NH2+]CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826190125 608521285 /nfs/dbraw/zinc/52/12/85/608521285.db2.gz QCQQEPXEUQWFAF-UHFFFAOYSA-N 1 0 378.436 1.770 20 0 GDADRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000825594620 608529687 /nfs/dbraw/zinc/52/96/87/608529687.db2.gz NGKWBTXZWPTDNQ-UHFFFAOYSA-N 1 0 378.502 1.683 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NC(=O)Nc1ccccc1 ZINC000826412168 608534460 /nfs/dbraw/zinc/53/44/60/608534460.db2.gz DTBAVBGYZZPSJF-UHFFFAOYSA-N 1 0 377.408 1.794 20 0 GDADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826029455 608564042 /nfs/dbraw/zinc/56/40/42/608564042.db2.gz SIYOOHZJNHIQHZ-UHFFFAOYSA-N 1 0 380.449 1.255 20 0 GDADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)cc2)CC1 ZINC000825856634 608567118 /nfs/dbraw/zinc/56/71/18/608567118.db2.gz ZCIXMABGNOCRSC-UHFFFAOYSA-N 1 0 380.456 1.978 20 0 GDADRO Cn1cnc2cc(C[NH+]3CCN(c4ncccc4-c4nn[nH]n4)CC3)ccc21 ZINC000826365232 608581412 /nfs/dbraw/zinc/58/14/12/608581412.db2.gz GFQBGRGOAHZWTF-UHFFFAOYSA-N 1 0 375.440 1.471 20 0 GDADRO Cc1nn(C)c(N(C)C)c1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826334422 608585286 /nfs/dbraw/zinc/58/52/86/608585286.db2.gz UMJBJTOEDZKDRV-UHFFFAOYSA-N 1 0 395.515 1.687 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824909406 608654376 /nfs/dbraw/zinc/65/43/76/608654376.db2.gz TUWSWUDZGGHGSW-HUUCEWRRSA-N 1 0 375.546 1.919 20 0 GDADRO CC[C@@H]1C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@@H]1N1CCOCC1 ZINC000825211330 608747522 /nfs/dbraw/zinc/74/75/22/608747522.db2.gz MGGCYENCIBTYBX-PBHICJAKSA-N 1 0 382.472 1.057 20 0 GDADRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)cn1 ZINC000826359860 608858086 /nfs/dbraw/zinc/85/80/86/608858086.db2.gz RRIILDGUGURYFT-WBVHZDCISA-N 1 0 393.455 1.336 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C=Cc1cncc(O)c1 ZINC000825866174 608865753 /nfs/dbraw/zinc/86/57/53/608865753.db2.gz SCWXBILXJFSIKL-YVMONPNESA-N 1 0 393.451 1.571 20 0 GDADRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000826091140 609135566 /nfs/dbraw/zinc/13/55/66/609135566.db2.gz WJIOVHPSTSRHFT-NSHDSACASA-N 1 0 390.444 1.765 20 0 GDADRO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000824689970 609145804 /nfs/dbraw/zinc/14/58/04/609145804.db2.gz ONIWXMKVAMGHJW-GARJFASQSA-N 1 0 376.486 1.447 20 0 GDADRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825406880 609147994 /nfs/dbraw/zinc/14/79/94/609147994.db2.gz SKIVGAKSFUCBIR-AWEZNQCLSA-N 1 0 382.472 1.821 20 0 GDADRO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259522 609148103 /nfs/dbraw/zinc/14/81/03/609148103.db2.gz VHBDTEGTGFAFEW-CQSZACIVSA-N 1 0 394.483 1.965 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259060 609161969 /nfs/dbraw/zinc/16/19/69/609161969.db2.gz GEFZXXNMKUZVNB-SWLSCSKDSA-N 1 0 392.467 1.716 20 0 GDADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826434024 609185408 /nfs/dbraw/zinc/18/54/08/609185408.db2.gz ZQQSNRLBCFVWQF-NVXWUHKLSA-N 1 0 382.424 1.446 20 0 GDADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826442947 609196927 /nfs/dbraw/zinc/19/69/27/609196927.db2.gz RPQTUCUUODDTKR-IBGZPJMESA-N 1 0 392.463 1.812 20 0 GDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824770546 609210073 /nfs/dbraw/zinc/21/00/73/609210073.db2.gz LPVVTRUAJTVJMM-ZMYBRWDISA-N 1 0 392.463 1.852 20 0 GDADRO Cc1ccc([C@H](CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[NH+]2CCCC2)o1 ZINC000826283871 609219687 /nfs/dbraw/zinc/21/96/87/609219687.db2.gz DAYJAWSIVWROGZ-FUHWJXTLSA-N 1 0 396.451 1.755 20 0 GDADRO C[C@@H](CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000824420159 609227863 /nfs/dbraw/zinc/22/78/63/609227863.db2.gz GMHNNFAHSASJIR-KBXCAEBGSA-N 1 0 380.452 1.537 20 0 GDADRO Cc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259191 609242945 /nfs/dbraw/zinc/24/29/45/609242945.db2.gz KOSNYMRPVALHOT-ZDUSSCGKSA-N 1 0 380.456 1.432 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000825459441 609288560 /nfs/dbraw/zinc/28/85/60/609288560.db2.gz KPGPLRBOKQXJOX-UHFFFAOYSA-N 1 0 377.880 1.278 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824640769 609318084 /nfs/dbraw/zinc/31/80/84/609318084.db2.gz OHBSUEABGOIWQY-ZFWWWQNUSA-N 1 0 390.513 1.798 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824613924 609327634 /nfs/dbraw/zinc/32/76/34/609327634.db2.gz YMBBGTRBOIDNNB-LLVKDONJSA-N 1 0 397.414 1.072 20 0 GDADRO COc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)ccn1 ZINC000826179203 609337066 /nfs/dbraw/zinc/33/70/66/609337066.db2.gz DMYBZGANNNIKTG-UHFFFAOYSA-N 1 0 376.424 1.961 20 0 GDADRO Cn1cc(C[NH2+]CCCOC2CCOCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361732 609340804 /nfs/dbraw/zinc/34/08/04/609340804.db2.gz LWOJNESZNBEDKW-UHFFFAOYSA-N 1 0 397.483 1.943 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360848 609341599 /nfs/dbraw/zinc/34/15/99/609341599.db2.gz ALJJIMREHRARLL-INIZCTEOSA-N 1 0 375.440 1.637 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361031 609341949 /nfs/dbraw/zinc/34/19/49/609341949.db2.gz ILQMAPNTXBKYQA-HNNXBMFYSA-N 1 0 378.440 1.120 20 0 GDADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824553476 609342254 /nfs/dbraw/zinc/34/22/54/609342254.db2.gz BTALACDEJWJNHK-NSHDSACASA-N 1 0 394.476 1.613 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826059891 609342801 /nfs/dbraw/zinc/34/28/01/609342801.db2.gz BUYSRUJWVCASBB-HZPDHXFCSA-N 1 0 380.456 1.272 20 0 GDADRO C[N@H+](CCO)C1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825942108 609361440 /nfs/dbraw/zinc/36/14/40/609361440.db2.gz WTXOVTHPFMEQBU-UHFFFAOYSA-N 1 0 395.305 1.518 20 0 GDADRO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825154876 609361691 /nfs/dbraw/zinc/36/16/91/609361691.db2.gz VKULNHMOTUAHRE-CQSZACIVSA-N 1 0 395.305 1.518 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826157879 609379347 /nfs/dbraw/zinc/37/93/47/609379347.db2.gz PQZFTHDXXNSDPH-UHFFFAOYSA-N 1 0 396.451 1.967 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C(=O)c2cc(F)ccc2C)c1-c1nn[nH]n1 ZINC000826073336 609435310 /nfs/dbraw/zinc/43/53/10/609435310.db2.gz OHJZAABLBQXPNA-UHFFFAOYSA-N 1 0 386.391 1.011 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826490847 609538018 /nfs/dbraw/zinc/53/80/18/609538018.db2.gz JTLRBVDLXMYDKA-UHFFFAOYSA-N 1 0 384.893 1.674 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000825000531 609547257 /nfs/dbraw/zinc/54/72/57/609547257.db2.gz RSJLSPXYQQXVAV-PWSUYJOCSA-N 1 0 382.877 1.377 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC000532786289 650033716 /nfs/dbraw/zinc/03/37/16/650033716.db2.gz OYUMHXKAKGUBBV-GFCCVEGCSA-N 1 0 389.880 1.264 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cn2cc(Br)cn2)on1)[NH+]1CCCC1 ZINC000532789538 650034035 /nfs/dbraw/zinc/03/40/35/650034035.db2.gz WOBMZWJGRQDIRC-NSHDSACASA-N 1 0 382.262 1.896 20 0 GDADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]CCCOc2ccc(Cl)cc2)C1 ZINC000533382732 650050317 /nfs/dbraw/zinc/05/03/17/650050317.db2.gz CAHHWXTXSOZTMD-SJORKVTESA-N 1 0 388.917 1.196 20 0 GDADRO CS(=O)(=O)NCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000533486264 650054316 /nfs/dbraw/zinc/05/43/16/650054316.db2.gz JMUCTULEMPSTAP-UHFFFAOYSA-N 1 0 377.304 1.594 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C[C@@H]1[NH+](C)C ZINC000534907700 650235032 /nfs/dbraw/zinc/23/50/32/650235032.db2.gz NWCAVFRPEOXSIO-IRXDYDNUSA-N 1 0 380.539 1.598 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCSCC(F)(F)F)CC1=O ZINC000535820878 650258090 /nfs/dbraw/zinc/25/80/90/650258090.db2.gz XCLQLQQPNBNTIT-OLZOCXBDSA-N 1 0 381.464 1.731 20 0 GDADRO CS[C@H]1CN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)C[C@H]1[NH+](C)C ZINC000536336215 650268420 /nfs/dbraw/zinc/26/84/20/650268420.db2.gz BXGRWZZRMRNBNN-KGLIPLIRSA-N 1 0 380.905 1.498 20 0 GDADRO O=S1(=O)CCc2cc(C[NH2+]Cc3cnc(N4CCOCC4)s3)ccc21 ZINC000538424307 650310522 /nfs/dbraw/zinc/31/05/22/650310522.db2.gz HRYSEFPEEGBGRS-UHFFFAOYSA-N 1 0 379.507 1.599 20 0 GDADRO CCCC[N@H+](CCCO)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000539328616 650332787 /nfs/dbraw/zinc/33/27/87/650332787.db2.gz YIVBDZRZVJFGJT-UHFFFAOYSA-N 1 0 377.894 1.410 20 0 GDADRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000539455193 650334915 /nfs/dbraw/zinc/33/49/15/650334915.db2.gz CJHDXCMMBZYJES-UHFFFAOYSA-N 1 0 382.408 1.647 20 0 GDADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)s1 ZINC000539969665 650344853 /nfs/dbraw/zinc/34/48/53/650344853.db2.gz QPIRJHZCRMHLPA-LLVKDONJSA-N 1 0 388.515 1.399 20 0 GDADRO CC[C@H](CSC)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000540198237 650350858 /nfs/dbraw/zinc/35/08/58/650350858.db2.gz GLMCJWNXXOIITG-GXTWGEPZSA-N 1 0 385.555 1.685 20 0 GDADRO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000540602236 650365160 /nfs/dbraw/zinc/36/51/60/650365160.db2.gz HGTANUINWHNHQV-NEPJUHHUSA-N 1 0 378.416 1.734 20 0 GDADRO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000541826782 650393108 /nfs/dbraw/zinc/39/31/08/650393108.db2.gz DAUPQKNUUMPQNH-HNNXBMFYSA-N 1 0 375.535 1.096 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@H](CCO)c1ccccc1Br ZINC000541954639 650396576 /nfs/dbraw/zinc/39/65/76/650396576.db2.gz PPHFDYYEZXEVKL-CQSZACIVSA-N 1 0 379.320 1.744 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)CCC[NH+]2CCCC2)s1 ZINC000542138439 650399641 /nfs/dbraw/zinc/39/96/41/650399641.db2.gz FNEQLUWQEIYYKR-UHFFFAOYSA-N 1 0 388.559 1.462 20 0 GDADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+]C(C)(C)c1cccs1 ZINC000542570646 650407701 /nfs/dbraw/zinc/40/77/01/650407701.db2.gz BQNVQBHFVTXCLC-UHFFFAOYSA-N 1 0 383.495 1.868 20 0 GDADRO CN(C1CCN(CC(F)(F)F)CC1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000916165417 660187831 /nfs/dbraw/zinc/18/78/31/660187831.db2.gz QZAGKVDIEQIWJT-HNNXBMFYSA-N 1 0 383.480 1.761 20 0 GDADRO O=S1(=O)CCO[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000542840661 650414060 /nfs/dbraw/zinc/41/40/60/650414060.db2.gz IJAJJKZSWGSQIZ-AWEZNQCLSA-N 1 0 390.908 1.847 20 0 GDADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000543689971 650428466 /nfs/dbraw/zinc/42/84/66/650428466.db2.gz RPIMCMPWWUKVQD-UHFFFAOYSA-N 1 0 391.921 1.935 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000545861761 650462701 /nfs/dbraw/zinc/46/27/01/650462701.db2.gz BWMLFYDYPYNBFH-YVEFUNNKSA-N 1 0 386.279 1.529 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000545881450 650463811 /nfs/dbraw/zinc/46/38/11/650463811.db2.gz FRSXXKWUWBMOCL-RHSMWYFYSA-N 1 0 383.901 1.038 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(I)c(O)c2)C1 ZINC000546191861 650473694 /nfs/dbraw/zinc/47/36/94/650473694.db2.gz CVBPBSBMZQATRJ-LLVKDONJSA-N 1 0 390.221 1.447 20 0 GDADRO Cc1sc2ncnc(SCCC(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2c1C ZINC000547292689 650494295 /nfs/dbraw/zinc/49/42/95/650494295.db2.gz CDXOFCRZLNASEJ-QGZVFWFLSA-N 1 0 380.539 1.973 20 0 GDADRO C[N@H+](CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)[C@@H]1CCSC1 ZINC000547926378 650523268 /nfs/dbraw/zinc/52/32/68/650523268.db2.gz USHWISAMPUNXCV-SNVBAGLBSA-N 1 0 395.476 1.643 20 0 GDADRO CC[NH+](CC)CCOC1CCN(c2nc(C)c(S(N)(=O)=O)s2)CC1 ZINC000548987055 650567367 /nfs/dbraw/zinc/56/73/67/650567367.db2.gz HEFCFEAIDNDFMF-UHFFFAOYSA-N 1 0 376.548 1.426 20 0 GDADRO O=S(=O)(NCCCCC[NH+]1CCCC1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000549524457 650578355 /nfs/dbraw/zinc/57/83/55/650578355.db2.gz LTKRKRHSXGSTDL-UHFFFAOYSA-N 1 0 386.539 1.561 20 0 GDADRO CO[C@H](CCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)C(F)(F)F ZINC000550002114 650586903 /nfs/dbraw/zinc/58/69/03/650586903.db2.gz QNDRESLNHDITNO-ZYHUDNBSSA-N 1 0 381.420 1.551 20 0 GDADRO CSc1cc(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccn1 ZINC000550003151 650587134 /nfs/dbraw/zinc/58/71/34/650587134.db2.gz ZORRHOYSRUEZAT-ZDUSSCGKSA-N 1 0 378.523 1.900 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCN(CC(F)(F)F)CC1 ZINC000550079623 650588241 /nfs/dbraw/zinc/58/82/41/650588241.db2.gz NMRQIERYNNPVKM-ZIAGYGMSSA-N 1 0 385.496 1.910 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000550435926 650592907 /nfs/dbraw/zinc/59/29/07/650592907.db2.gz WHVDKFXHLLEKIN-OAHLLOKOSA-N 1 0 375.560 1.383 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000550701177 650596456 /nfs/dbraw/zinc/59/64/56/650596456.db2.gz TWJNHMUAHRNEIF-QGZVFWFLSA-N 1 0 386.539 1.516 20 0 GDADRO C[C@H](NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)C(=O)NCC[NH+](C)C ZINC000552082064 650618821 /nfs/dbraw/zinc/61/88/21/650618821.db2.gz DURBRVYBSDBHCI-VIFPVBQESA-N 1 0 399.264 1.866 20 0 GDADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)ccc1S(C)(=O)=O ZINC000552099651 650619538 /nfs/dbraw/zinc/61/95/38/650619538.db2.gz PYZRIHHGHRPZEM-NEPJUHHUSA-N 1 0 375.512 1.715 20 0 GDADRO C[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)C(=O)NCC[NH+](C)C ZINC000552309693 650623288 /nfs/dbraw/zinc/62/32/88/650623288.db2.gz SCEQUQNFEUPCJF-JTQLQIEISA-N 1 0 381.274 1.727 20 0 GDADRO O=C(CNC(=O)c1ccncc1Br)NCC[NH+]1CCCCCC1 ZINC000552699598 650631403 /nfs/dbraw/zinc/63/14/03/650631403.db2.gz RFUQEQIQOKXLJT-UHFFFAOYSA-N 1 0 383.290 1.566 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(I)c(F)c2)C[C@@H]1O ZINC000552440649 650626546 /nfs/dbraw/zinc/62/65/46/650626546.db2.gz OQMZFOJRFUCIRR-RYUDHWBXSA-N 1 0 378.185 1.177 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000552906756 650634649 /nfs/dbraw/zinc/63/46/49/650634649.db2.gz WFLQVNKSDAGDAG-LBPRGKRZSA-N 1 0 385.306 1.869 20 0 GDADRO COCC[N@H+](C)CCNc1ncnc(CC(C)C)c1I ZINC000553050281 650636980 /nfs/dbraw/zinc/63/69/80/650636980.db2.gz GVLJUMUVOLXMJX-UHFFFAOYSA-N 1 0 392.285 2.270 20 0 GDADRO COCCCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000553072953 650637519 /nfs/dbraw/zinc/63/75/19/650637519.db2.gz WNOOWMMRFBRKJP-LSDHHAIUSA-N 1 0 377.551 1.198 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)NCC2(S(C)(=O)=O)CCCC2)CC1 ZINC000553584580 650652558 /nfs/dbraw/zinc/65/25/58/650652558.db2.gz FIYGBCWUGWTKLU-UHFFFAOYSA-N 1 0 375.535 1.144 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000553963765 650664678 /nfs/dbraw/zinc/66/46/78/650664678.db2.gz CWIAOVQIICJMFL-LLVKDONJSA-N 1 0 379.935 1.480 20 0 GDADRO Cc1nnc(CNC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000554462322 650675531 /nfs/dbraw/zinc/67/55/31/650675531.db2.gz JYUOJDOOXQSMJU-CYBMUJFWSA-N 1 0 381.889 1.535 20 0 GDADRO Cn1ncc(I)c1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000555677934 650694697 /nfs/dbraw/zinc/69/46/97/650694697.db2.gz VKVUQKPNAXUTEV-UHFFFAOYSA-N 1 0 390.269 1.971 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN(C)[C@H](CO)c1cccc(Br)c1 ZINC000555880420 650697198 /nfs/dbraw/zinc/69/71/98/650697198.db2.gz KSQVLAINEROOMN-HZPDHXFCSA-N 1 0 375.307 1.353 20 0 GDADRO CCOc1cc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc(Cl)c1OC ZINC000556409374 650705108 /nfs/dbraw/zinc/70/51/08/650705108.db2.gz UJHBGBCKHKVIQJ-UHFFFAOYSA-N 1 0 377.890 1.777 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CSCc2cc(=O)n3ccsc3n2)C1 ZINC000556704942 650709551 /nfs/dbraw/zinc/70/95/51/650709551.db2.gz CMSUXXXUFCUKOY-AWEZNQCLSA-N 1 0 380.539 1.930 20 0 GDADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000556924579 650715174 /nfs/dbraw/zinc/71/51/74/650715174.db2.gz UDARSNMVYVNPGD-ZFWWWQNUSA-N 1 0 389.543 1.059 20 0 GDADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000556924578 650715245 /nfs/dbraw/zinc/71/52/45/650715245.db2.gz UDARSNMVYVNPGD-UKRRQHHQSA-N 1 0 389.543 1.059 20 0 GDADRO CC[N@H+](CC(=O)NC[C@@H](Oc1ccc(Br)cc1)C(=O)OC)C1CC1 ZINC000557205303 650721180 /nfs/dbraw/zinc/72/11/80/650721180.db2.gz FVBLTNLVGZRZFC-OAHLLOKOSA-N 1 0 399.285 1.970 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000557262463 650722394 /nfs/dbraw/zinc/72/23/94/650722394.db2.gz KUVCUDGXUKEGPA-UHFFFAOYSA-N 1 0 388.281 1.753 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000557399230 650724219 /nfs/dbraw/zinc/72/42/19/650724219.db2.gz JWBFTPIICUMZJE-MRXNPFEDSA-N 1 0 384.274 1.429 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@H](CO)Cc2ccccc2OC(F)(F)F)C1 ZINC000557507739 650727204 /nfs/dbraw/zinc/72/72/04/650727204.db2.gz AWTSKTBXDODNGV-TZMCWYRMSA-N 1 0 381.416 1.903 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)N1CCSCC1 ZINC000563881610 650741827 /nfs/dbraw/zinc/74/18/27/650741827.db2.gz LKLAQEFSIVJHKU-CQSZACIVSA-N 1 0 394.946 1.048 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000564080823 650747270 /nfs/dbraw/zinc/74/72/70/650747270.db2.gz SRPVXCGGOCNXDY-TZMCWYRMSA-N 1 0 395.301 1.012 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000564392396 650756684 /nfs/dbraw/zinc/75/66/84/650756684.db2.gz PBGQUBDAJPSIEL-GOEBONIOSA-N 1 0 375.535 1.168 20 0 GDADRO Brc1ccccc1-n1cc(C[NH2+]CCCN2CCOCC2)nn1 ZINC000564407245 650757072 /nfs/dbraw/zinc/75/70/72/650757072.db2.gz ATGKTVWGAKTMBP-UHFFFAOYSA-N 1 0 380.290 1.842 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000564426980 650757853 /nfs/dbraw/zinc/75/78/53/650757853.db2.gz VGEXDWLVQHYUKZ-LLVKDONJSA-N 1 0 398.286 2.078 20 0 GDADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CC(=O)N(C)c2nccs2)CC1 ZINC000564463131 650758797 /nfs/dbraw/zinc/75/87/97/650758797.db2.gz QSCNZRUOLXUZID-CYBMUJFWSA-N 1 0 388.559 1.488 20 0 GDADRO Cc1nc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000564688151 650764327 /nfs/dbraw/zinc/76/43/27/650764327.db2.gz PDTZGDCSGYNAEU-STQMWFEESA-N 1 0 384.267 1.629 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000564658177 650763988 /nfs/dbraw/zinc/76/39/88/650763988.db2.gz GSKKYLUZGAVNOH-UHFFFAOYSA-N 1 0 394.324 1.826 20 0 GDADRO CCOC[C@H](O)C[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000564868866 650770448 /nfs/dbraw/zinc/77/04/48/650770448.db2.gz JPGVJBURBJGRAJ-GFCCVEGCSA-N 1 0 395.319 1.105 20 0 GDADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)(C)C ZINC000564929530 650773222 /nfs/dbraw/zinc/77/32/22/650773222.db2.gz OGWSSAHAYQXFRV-UHFFFAOYSA-N 1 0 387.933 1.903 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2cc(Br)ccc2C1 ZINC000564942448 650773917 /nfs/dbraw/zinc/77/39/17/650773917.db2.gz NQGMCFQCOSKRQP-HNNXBMFYSA-N 1 0 380.286 1.592 20 0 GDADRO CC[NH+]1C[C@H](C)N(C(=O)CSCc2cc(=O)n3ccsc3n2)[C@@H](C)C1 ZINC000565505924 650800208 /nfs/dbraw/zinc/80/02/08/650800208.db2.gz QGNWBBOBYGCCDJ-STQMWFEESA-N 1 0 380.539 1.930 20 0 GDADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000565539733 650801901 /nfs/dbraw/zinc/80/19/01/650801901.db2.gz QRSXFNLCLXZASI-GFCCVEGCSA-N 1 0 381.395 1.513 20 0 GDADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000565555634 650802747 /nfs/dbraw/zinc/80/27/47/650802747.db2.gz SINODWUGWDMLMV-UHFFFAOYSA-N 1 0 377.388 1.857 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)[C@@H](C[NH3+])C1CC1 ZINC000565599361 650805037 /nfs/dbraw/zinc/80/50/37/650805037.db2.gz CGQGONWIGATLBY-LBPRGKRZSA-N 1 0 379.404 1.179 20 0 GDADRO CC(C)(CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000565647171 650807181 /nfs/dbraw/zinc/80/71/81/650807181.db2.gz UTRGHWGFFSCBTO-UHFFFAOYSA-N 1 0 397.317 1.458 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000565775096 650812972 /nfs/dbraw/zinc/81/29/72/650812972.db2.gz GJIPOOVTDLSCHV-QWRGUYRKSA-N 1 0 388.299 1.279 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000565782817 650813232 /nfs/dbraw/zinc/81/32/32/650813232.db2.gz OYWDOSAQFRKQQQ-UHFFFAOYSA-N 1 0 377.226 1.460 20 0 GDADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+]C3(CO)CCOCC3)cs2)cc1 ZINC000565825476 650816454 /nfs/dbraw/zinc/81/64/54/650816454.db2.gz NNJXVTQELBLLCB-UHFFFAOYSA-N 1 0 382.507 1.845 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000565887280 650819128 /nfs/dbraw/zinc/81/91/28/650819128.db2.gz JJGMFKNZZAQMEO-UONOGXRCSA-N 1 0 376.906 1.259 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cn2c(n1)SCC2 ZINC000566023862 650826846 /nfs/dbraw/zinc/82/68/46/650826846.db2.gz VDCZZJQTNPJCEN-MRXNPFEDSA-N 1 0 378.523 1.846 20 0 GDADRO CC(C)(CC[NH2+]C[C@@H](O)COc1cccc(Br)c1)S(C)(=O)=O ZINC000566120525 650828966 /nfs/dbraw/zinc/82/89/66/650828966.db2.gz NHCKBKFNDPGROP-CYBMUJFWSA-N 1 0 394.331 1.992 20 0 GDADRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1CCOc1cc(F)cc(Br)c1 ZINC000566183547 650833453 /nfs/dbraw/zinc/83/34/53/650833453.db2.gz SJJFIXJIRNBGKA-OAHLLOKOSA-N 1 0 386.221 1.641 20 0 GDADRO CCOc1c(Br)cc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1OC ZINC000566208095 650834896 /nfs/dbraw/zinc/83/48/96/650834896.db2.gz MFEUEOARNZBAIJ-UHFFFAOYSA-N 1 0 387.274 1.782 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000566237287 650837244 /nfs/dbraw/zinc/83/72/44/650837244.db2.gz NJTMZRACBLVRSH-RYUDHWBXSA-N 1 0 382.302 1.839 20 0 GDADRO CS[C@@H]1CN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000566299839 650839863 /nfs/dbraw/zinc/83/98/63/650839863.db2.gz BIVRQTQTODOJRD-JKSUJKDBSA-N 1 0 389.974 1.999 20 0 GDADRO CC[NH+]1CCC(CNC(=O)C(=O)NCc2cc(Br)cs2)CC1 ZINC000566575432 650857119 /nfs/dbraw/zinc/85/71/19/650857119.db2.gz BXKIVQDIYYONER-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000566673792 650862672 /nfs/dbraw/zinc/86/26/72/650862672.db2.gz APSBAKJQDCMOJW-WCQYABFASA-N 1 0 380.304 1.602 20 0 GDADRO OCCCN1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000566797217 650867339 /nfs/dbraw/zinc/86/73/39/650867339.db2.gz HREOOWGDJOEXRY-CVEARBPZSA-N 1 0 387.318 1.625 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000566861398 650870555 /nfs/dbraw/zinc/87/05/55/650870555.db2.gz SJLPRFWVUINGLM-TVQRCGJNSA-N 1 0 380.388 1.768 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000567148993 650888739 /nfs/dbraw/zinc/88/87/39/650888739.db2.gz MBIXBBCTCLSTIU-MRXNPFEDSA-N 1 0 396.333 1.184 20 0 GDADRO CN1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000567228160 650893794 /nfs/dbraw/zinc/89/37/94/650893794.db2.gz IYODCSCCUIIWDY-CYBMUJFWSA-N 1 0 390.311 1.487 20 0 GDADRO C[NH+]1CCN(c2cccc(Cl)c2CN[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000567241200 650894725 /nfs/dbraw/zinc/89/47/25/650894725.db2.gz RRWCOZOXVXQNNW-CQSZACIVSA-N 1 0 386.949 1.215 20 0 GDADRO CC(C)(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Br)cc1 ZINC000037004718 644319798 /nfs/dbraw/zinc/31/97/98/644319798.db2.gz CTOROHGGQGBBDT-LBPRGKRZSA-N 1 0 377.304 1.562 20 0 GDADRO C[NH+](C)CCCNC(=S)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000042790403 644337297 /nfs/dbraw/zinc/33/72/97/644337297.db2.gz YRWVXIQZOAVHEH-UHFFFAOYSA-N 1 0 385.515 1.240 20 0 GDADRO CCCS(=O)(=O)N1CCC(NC(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000042790483 644337316 /nfs/dbraw/zinc/33/73/16/644337316.db2.gz UFQWLJDEWDBWII-HNNXBMFYSA-N 1 0 376.592 1.139 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000567690058 650915061 /nfs/dbraw/zinc/91/50/61/650915061.db2.gz XLIHJYAVLRCHIC-OCCSQVGLSA-N 1 0 380.432 1.480 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000567715152 650916483 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C[N@H+](Cn1ccc(=O)c2cccc(Br)c21)[C@H]1CCS(=O)(=O)C1 ZINC000105604315 644610886 /nfs/dbraw/zinc/61/08/86/644610886.db2.gz NTYKRJVPTNLZGO-NSHDSACASA-N 1 0 385.283 1.840 20 0 GDADRO Cc1c(Br)cc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000568212137 650941032 /nfs/dbraw/zinc/94/10/32/650941032.db2.gz UVRFKUJQHBNOLG-INIZCTEOSA-N 1 0 398.257 1.852 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000108254968 644617681 /nfs/dbraw/zinc/61/76/81/644617681.db2.gz RAPPMPPMIJYXIP-UHFFFAOYSA-N 1 0 381.470 1.112 20 0 GDADRO C[NH+]1CCN(CCCCNC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000108258170 644617777 /nfs/dbraw/zinc/61/77/77/644617777.db2.gz RXPZMHVFAYURLK-UHFFFAOYSA-N 1 0 395.497 1.502 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000108328341 644618404 /nfs/dbraw/zinc/61/84/04/644618404.db2.gz RMIQDBLTQCRUTG-NSHDSACASA-N 1 0 389.315 1.924 20 0 GDADRO CC(C)c1nn(C)c(Cl)c1CNCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000111405416 644628447 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C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC1C[NH2+]C1 ZINC000261905975 645119335 /nfs/dbraw/zinc/11/93/35/645119335.db2.gz FQIWSTYWOXIZST-SNVBAGLBSA-N 1 0 375.288 1.195 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262059257 645121840 /nfs/dbraw/zinc/12/18/40/645121840.db2.gz QZVRZHLBIQJYGH-MFKMUULPSA-N 1 0 389.905 1.456 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 ZINC000262124244 645123629 /nfs/dbraw/zinc/12/36/29/645123629.db2.gz KVKZGRQNXHQLLU-LBPRGKRZSA-N 1 0 395.522 1.628 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000262123980 645123722 /nfs/dbraw/zinc/12/37/22/645123722.db2.gz VXUVAMBXXRXPBC-CJNGLKHVSA-N 1 0 389.543 1.123 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000569024456 650981746 /nfs/dbraw/zinc/98/17/46/650981746.db2.gz ISQFXXPRVMHYPB-CYBMUJFWSA-N 1 0 385.917 1.852 20 0 GDADRO CS(=O)(=O)C1(C(=O)NC[C@H](O)c2cc3ccccc3s2)CC[NH2+]CC1 ZINC000262507228 645132956 /nfs/dbraw/zinc/13/29/56/645132956.db2.gz JGTNNZOYMXMVKJ-ZDUSSCGKSA-N 1 0 382.507 1.218 20 0 GDADRO CN1C[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCC1=O ZINC000569109624 650984232 /nfs/dbraw/zinc/98/42/32/650984232.db2.gz APHMOBDOSHEAAF-QWHCGFSZSA-N 1 0 375.238 1.538 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CNC(=O)c3ccc(Br)s3)C2)C1 ZINC000292092329 645203369 /nfs/dbraw/zinc/20/33/69/645203369.db2.gz DJGSUJYUDSCVAZ-OAHLLOKOSA-N 1 0 386.315 1.795 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000295785344 645215310 /nfs/dbraw/zinc/21/53/10/645215310.db2.gz RSQGAQVLLHUVFL-ZBEGNZNMSA-N 1 0 387.274 1.203 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC1 ZINC000298057846 645221049 /nfs/dbraw/zinc/22/10/49/645221049.db2.gz KSGKXUABYLYTFM-UHFFFAOYSA-N 1 0 382.302 1.962 20 0 GDADRO C[N@H+](C[C@@H](O)COC1CCOCC1)C[C@H](O)c1cccc(Br)c1 ZINC000298063774 645221573 /nfs/dbraw/zinc/22/15/73/645221573.db2.gz GNSTXNXWDDGXLJ-WBVHZDCISA-N 1 0 388.302 1.971 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1Cl ZINC000298729460 645226524 /nfs/dbraw/zinc/22/65/24/645226524.db2.gz SDWAYNCBOCYNAU-CVEARBPZSA-N 1 0 390.933 1.621 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000569242790 650990992 /nfs/dbraw/zinc/99/09/92/650990992.db2.gz AQLWMHIPKHHNBC-RYUDHWBXSA-N 1 0 393.506 1.383 20 0 GDADRO O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[NH+](CC2CC2)CC1 ZINC000299506649 645230750 /nfs/dbraw/zinc/23/07/50/645230750.db2.gz LYLUQIHGYBVJJZ-OAHLLOKOSA-N 1 0 383.539 1.455 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCCOc3cccc(Br)c3)CCN2C1=O ZINC000569259458 650992039 /nfs/dbraw/zinc/99/20/39/650992039.db2.gz ATESXQINTOGNLK-DZGCQCFKSA-N 1 0 396.285 1.379 20 0 GDADRO Cc1nc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c(Br)n1C ZINC000314702806 645245396 /nfs/dbraw/zinc/24/53/96/645245396.db2.gz CJJPOVDWJLPTSO-UHFFFAOYSA-N 1 0 379.324 1.644 20 0 GDADRO Cc1nc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c(Br)n1C ZINC000314785301 645245473 /nfs/dbraw/zinc/24/54/73/645245473.db2.gz MPOJLYZYKZTFLQ-UHFFFAOYSA-N 1 0 379.324 1.501 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000569323730 650994469 /nfs/dbraw/zinc/99/44/69/650994469.db2.gz LWXHVDQPIRTLBW-NSHDSACASA-N 1 0 384.274 1.271 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cnc2c1Cl ZINC000328719678 645274038 /nfs/dbraw/zinc/27/40/38/645274038.db2.gz QIJAUPWPAOFYOH-LBPRGKRZSA-N 1 0 383.905 1.986 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000569455589 651000833 /nfs/dbraw/zinc/00/08/33/651000833.db2.gz KVQGYENBMJIOCR-VHSXEESVSA-N 1 0 382.258 1.405 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 ZINC000329127721 645298865 /nfs/dbraw/zinc/29/88/65/645298865.db2.gz NDESGOAENFJXRF-OAHLLOKOSA-N 1 0 385.555 1.846 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000329163412 645300714 /nfs/dbraw/zinc/30/07/14/645300714.db2.gz GLNXCNUGYAYZPH-RBSFLKMASA-N 1 0 385.555 1.842 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OCC(F)(F)F)nc1 ZINC000329446758 645313615 /nfs/dbraw/zinc/31/36/15/645313615.db2.gz MAORCXHIMQWKLL-QWHCGFSZSA-N 1 0 379.404 1.928 20 0 GDADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)NC2CCCC2)CC1 ZINC000329826412 645331234 /nfs/dbraw/zinc/33/12/34/645331234.db2.gz ILMXSSZNTKJFDQ-KRWDZBQOSA-N 1 0 375.579 1.957 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@H](C(C)C)N2CCCS2(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000329859213 645333602 /nfs/dbraw/zinc/33/36/02/645333602.db2.gz WNFPJPYZUYQXKM-OAGGEKHMSA-N 1 0 389.587 1.085 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000569867185 651014401 /nfs/dbraw/zinc/01/44/01/651014401.db2.gz FQKFKOUGGCICNZ-GXTWGEPZSA-N 1 0 382.302 1.960 20 0 GDADRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1 ZINC000331273759 645488855 /nfs/dbraw/zinc/48/88/55/645488855.db2.gz MVZSRCOHPMWPGV-LLVKDONJSA-N 1 0 376.276 1.657 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)s1 ZINC000331406859 645510600 /nfs/dbraw/zinc/51/06/00/645510600.db2.gz NUUDTBBXOKONRT-GFCCVEGCSA-N 1 0 389.568 1.229 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NCCCC[NH3+])cc(Br)c1C ZINC000569971800 651020231 /nfs/dbraw/zinc/02/02/31/651020231.db2.gz LCPJSGYUOKFUNL-UHFFFAOYSA-N 1 0 393.303 1.951 20 0 GDADRO COCC[N@H+](C)CCN1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O ZINC000349374814 645545743 /nfs/dbraw/zinc/54/57/43/645545743.db2.gz VXWOPDZYAPREJA-CQSZACIVSA-N 1 0 384.274 1.962 20 0 GDADRO CC[NH+]1CCC(CNC(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000570065178 651024996 /nfs/dbraw/zinc/02/49/96/651024996.db2.gz RLQZTNGSBBGKNG-UHFFFAOYSA-N 1 0 382.302 1.913 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c(Cl)s1 ZINC000368637338 645622369 /nfs/dbraw/zinc/62/23/69/645622369.db2.gz XSDDLVYZAAONFA-VIFPVBQESA-N 1 0 384.932 1.225 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccnc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000369776634 645658755 /nfs/dbraw/zinc/65/87/55/645658755.db2.gz CAQXGCSGHYDQQR-UKRRQHHQSA-N 1 0 381.318 1.942 20 0 GDADRO Cc1nc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)sc1S(N)(=O)=O ZINC000370222905 645673362 /nfs/dbraw/zinc/67/33/62/645673362.db2.gz ORJIYJQIKGJWKT-UHFFFAOYSA-N 1 0 387.575 1.094 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000370730821 645700960 /nfs/dbraw/zinc/70/09/60/645700960.db2.gz QTJOFIRJZJCXAO-STQMWFEESA-N 1 0 380.869 1.734 20 0 GDADRO C[C@H](C(=O)N1CCC([NH3+])CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000570329764 651035758 /nfs/dbraw/zinc/03/57/58/651035758.db2.gz GOZFBRDXQQILBL-SECBINFHSA-N 1 0 380.242 1.383 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@]2(CC)CC[NH2+]C2)s1 ZINC000370835174 645707948 /nfs/dbraw/zinc/70/79/48/645707948.db2.gz MCGASKBQURMZMP-QGZVFWFLSA-N 1 0 387.571 1.827 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000371229906 645730961 /nfs/dbraw/zinc/73/09/61/645730961.db2.gz KKSDWKLXBWQFRJ-WBMJQRKESA-N 1 0 385.917 1.852 20 0 GDADRO NS(=O)(=O)C1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000378105562 645865867 /nfs/dbraw/zinc/86/58/67/645865867.db2.gz XVFBYQNPCHGJIY-AWEZNQCLSA-N 1 0 386.543 1.348 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c(I)c1 ZINC000415420582 645893416 /nfs/dbraw/zinc/89/34/16/645893416.db2.gz TWFXHQAEAXPIRD-MRVPVSSYSA-N 1 0 393.200 1.483 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000415421793 645893572 /nfs/dbraw/zinc/89/35/72/645893572.db2.gz VTTHGKYGTBCTLX-JTQLQIEISA-N 1 0 388.262 1.218 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)C(=O)Nc2cc(Cl)cc(F)c2F)CC1 ZINC000415509022 645895220 /nfs/dbraw/zinc/89/52/20/645895220.db2.gz VRBFZEHKDCDQKU-UHFFFAOYSA-N 1 0 375.803 1.913 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1Br ZINC000415515161 645896316 /nfs/dbraw/zinc/89/63/16/645896316.db2.gz DARSEAYAFVSIQF-ZJUUUORDSA-N 1 0 398.257 1.370 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415535860 645897446 /nfs/dbraw/zinc/89/74/46/645897446.db2.gz ZAIIALKMQLKGQR-NXEZZACHSA-N 1 0 381.889 1.936 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1Cl ZINC000415537079 645897759 /nfs/dbraw/zinc/89/77/59/645897759.db2.gz GKISYIQVLKULBX-CYBMUJFWSA-N 1 0 390.267 1.811 20 0 GDADRO C[C@H](CS(C)(=O)=O)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000417633511 645906077 /nfs/dbraw/zinc/90/60/77/645906077.db2.gz HAGTXTZANBQHOG-IFUGULHKSA-N 1 0 375.441 1.143 20 0 GDADRO CN1C(=O)C[C@@H]([NH2+]CCN2CCCS2(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570795886 651055735 /nfs/dbraw/zinc/05/57/35/651055735.db2.gz NTISKCYURCZQJI-ZBFHGGJFSA-N 1 0 389.880 1.376 20 0 GDADRO CN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH2+]CC1 ZINC000418094905 645908793 /nfs/dbraw/zinc/90/87/93/645908793.db2.gz VBZZITWUSSIWTO-HNNXBMFYSA-N 1 0 395.301 1.948 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1Br ZINC000570803204 651056181 /nfs/dbraw/zinc/05/61/81/651056181.db2.gz JKOKBEGUTZAHAJ-AXFHLTTASA-N 1 0 386.290 1.877 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419069458 645910974 /nfs/dbraw/zinc/91/09/74/645910974.db2.gz NOLSIDCIBQGCTL-UHFFFAOYSA-N 1 0 376.682 1.835 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)NC3CC[NH2+]CC3)s2)cs1 ZINC000419070500 645911095 /nfs/dbraw/zinc/91/10/95/645911095.db2.gz HKFPKHRWIMAFFI-UHFFFAOYSA-N 1 0 378.523 1.707 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)CC[C@H]1[NH3+] ZINC000419073842 645912079 /nfs/dbraw/zinc/91/20/79/645912079.db2.gz SHAXMOALTBRYHD-TVQRCGJNSA-N 1 0 388.693 1.914 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000419181999 645914039 /nfs/dbraw/zinc/91/40/39/645914039.db2.gz CFBDBHAVQUMACV-JSGCOSHPSA-N 1 0 382.302 1.612 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000419436279 645917202 /nfs/dbraw/zinc/91/72/02/645917202.db2.gz DQEPVSOOCHCTTC-ZETCQYMHSA-N 1 0 380.189 1.130 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000419439918 645918269 /nfs/dbraw/zinc/91/82/69/645918269.db2.gz JXECBXWCTHIOLW-YPMHNXCESA-N 1 0 398.301 1.660 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)CC[C@H]1[NH3+] ZINC000419459785 645918647 /nfs/dbraw/zinc/91/86/47/645918647.db2.gz GYUBWVFQYGTVEH-SWLSCSKDSA-N 1 0 394.313 1.793 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NCCc1cc(Cl)ccc1Br ZINC000419487969 645920275 /nfs/dbraw/zinc/92/02/75/645920275.db2.gz BIPDUBUVKZAUEC-UHFFFAOYSA-N 1 0 376.682 1.615 20 0 GDADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCCc1cc(Cl)ccc1Br ZINC000419505853 645921382 /nfs/dbraw/zinc/92/13/82/645921382.db2.gz WBDUVZYPGLZVNP-LBPRGKRZSA-N 1 0 388.693 1.711 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCCn1cc(Br)cn1 ZINC000419513755 645921857 /nfs/dbraw/zinc/92/18/57/645921857.db2.gz MXRGVZWFZFMXGJ-QWHCGFSZSA-N 1 0 388.310 1.132 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419520256 645922465 /nfs/dbraw/zinc/92/24/65/645922465.db2.gz HNXKBOBZOPYCJY-GFCCVEGCSA-N 1 0 384.318 1.815 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000419526933 645923534 /nfs/dbraw/zinc/92/35/34/645923534.db2.gz UHHVDHPMKGATCJ-CQSZACIVSA-N 1 0 382.302 1.711 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000419607532 645924598 /nfs/dbraw/zinc/92/45/98/645924598.db2.gz HJVZEDWNGVPYOR-MBNYWOFBSA-N 1 0 398.301 1.576 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000419642505 645925405 /nfs/dbraw/zinc/92/54/05/645925405.db2.gz MBGQMDBEEHPXPW-KBPBESRZSA-N 1 0 384.274 1.030 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419744977 645930112 /nfs/dbraw/zinc/93/01/12/645930112.db2.gz JMKSDSJECGVDPO-NHYWBVRUSA-N 1 0 382.302 1.740 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000419769864 645931353 /nfs/dbraw/zinc/93/13/53/645931353.db2.gz CYWGRMIBCXNZHB-GHMZBOCLSA-N 1 0 386.290 1.749 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000419769867 645931383 /nfs/dbraw/zinc/93/13/83/645931383.db2.gz CYWGRMIBCXNZHB-MNOVXSKESA-N 1 0 386.290 1.749 20 0 GDADRO C[NH+](C)C[C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000570885879 651058658 /nfs/dbraw/zinc/05/86/58/651058658.db2.gz OLHWPFSPOIGVIQ-ZDUSSCGKSA-N 1 0 375.922 1.429 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000420184137 645937607 /nfs/dbraw/zinc/93/76/07/645937607.db2.gz ALLBDZGZFXHQTL-WCQYABFASA-N 1 0 380.286 1.577 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000420191716 645938656 /nfs/dbraw/zinc/93/86/56/645938656.db2.gz HLRBEHMDNVWRMR-GJZGRUSLSA-N 1 0 396.285 1.217 20 0 GDADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420193724 645938696 /nfs/dbraw/zinc/93/86/96/645938696.db2.gz JFJHRLQVDKZNAC-CMPLNLGQSA-N 1 0 386.279 1.544 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC(O)(C[NH3+])CC1 ZINC000420407968 645942781 /nfs/dbraw/zinc/94/27/81/645942781.db2.gz VFIFZXWORHDLCW-UHFFFAOYSA-N 1 0 376.320 1.255 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420478009 645944778 /nfs/dbraw/zinc/94/47/78/645944778.db2.gz KQNNVJMXHAZRGZ-ZDUSSCGKSA-N 1 0 385.877 1.425 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000570923364 651060465 /nfs/dbraw/zinc/06/04/65/651060465.db2.gz LYSVAIHOCPDVOB-OAHLLOKOSA-N 1 0 382.302 1.940 20 0 GDADRO C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000420942961 645975338 /nfs/dbraw/zinc/97/53/38/645975338.db2.gz PJODAWFCHQEZAC-CHWSQXEVSA-N 1 0 398.301 1.454 20 0 GDADRO COCCCS(=O)(=O)NCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420930390 645975486 /nfs/dbraw/zinc/97/54/86/645975486.db2.gz RUAUJEMFUQVCAU-LSDHHAIUSA-N 1 0 378.535 1.385 20 0 GDADRO CN(CC(=O)NCC(=O)Nc1ccccc1Br)C[C@H]1CCC[N@@H+]1C ZINC000421001255 645978618 /nfs/dbraw/zinc/97/86/18/645978618.db2.gz KVASTHCYVWTFOP-CYBMUJFWSA-N 1 0 397.317 1.530 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000421394464 646008601 /nfs/dbraw/zinc/00/86/01/646008601.db2.gz SXVQAMOIAJYMPS-RYUDHWBXSA-N 1 0 398.301 1.530 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)c1csnn1)c1ccsc1 ZINC000421516248 646012505 /nfs/dbraw/zinc/01/25/05/646012505.db2.gz HFCIEDLWNWCSMA-SMDDNHRTSA-N 1 0 381.527 1.976 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1nc2c(s1)CCC2 ZINC000421727307 646019792 /nfs/dbraw/zinc/01/97/92/646019792.db2.gz WGHJHNCWXCDNBF-GTNSWQLSSA-N 1 0 382.555 1.363 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422475003 646068682 /nfs/dbraw/zinc/06/86/82/646068682.db2.gz IBIYXUCBYZVMEZ-OAHLLOKOSA-N 1 0 382.302 1.660 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422478824 646070054 /nfs/dbraw/zinc/07/00/54/646070054.db2.gz QDJMMQCPIGBDLK-UHFFFAOYSA-N 1 0 382.302 1.662 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422558696 646078993 /nfs/dbraw/zinc/07/89/93/646078993.db2.gz ZKCDFQCXXXYZSQ-YDHLFZDLSA-N 1 0 388.555 1.701 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1 ZINC000422923825 646099167 /nfs/dbraw/zinc/09/91/67/646099167.db2.gz SREUYVWRKZVDJJ-CJNGLKHVSA-N 1 0 385.917 1.561 20 0 GDADRO CC[C@H](C)NC(=O)CC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000916836867 660202616 /nfs/dbraw/zinc/20/26/16/660202616.db2.gz SWOXYWCENIWBLB-AAEUAGOBSA-N 1 0 390.937 1.599 20 0 GDADRO COC[C@@]1(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CC[NH2+]C1 ZINC000422930235 646100507 /nfs/dbraw/zinc/10/05/07/646100507.db2.gz SNPVGHRMZFCHKI-QGZVFWFLSA-N 1 0 398.301 1.781 20 0 GDADRO O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)COc1ccccc1Br ZINC000422935254 646101458 /nfs/dbraw/zinc/10/14/58/646101458.db2.gz GYUQNDPBLGOUHT-XOKHGSTOSA-N 1 0 385.302 1.545 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1 ZINC000422943222 646102061 /nfs/dbraw/zinc/10/20/61/646102061.db2.gz QQQLZJMZGYJNGT-HIFRSBDPSA-N 1 0 385.917 1.561 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422956246 646103128 /nfs/dbraw/zinc/10/31/28/646103128.db2.gz OWDPOPQVNRMEHC-UHFFFAOYSA-N 1 0 380.286 1.462 20 0 GDADRO O=C(NCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)c1cccc(Br)c1 ZINC000422954444 646103241 /nfs/dbraw/zinc/10/32/41/646103241.db2.gz ISTRCZSGSIPRHF-HOTGVXAUSA-N 1 0 382.302 1.536 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422971918 646104503 /nfs/dbraw/zinc/10/45/03/646104503.db2.gz KDLAHJFCIACSOZ-HOTGVXAUSA-N 1 0 394.313 1.851 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422978040 646105240 /nfs/dbraw/zinc/10/52/40/646105240.db2.gz YKPCBRSBXNXNOZ-SWLSCSKDSA-N 1 0 382.302 1.836 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000422985792 646105649 /nfs/dbraw/zinc/10/56/49/646105649.db2.gz AHKFPTKBZNTYOW-OCCSQVGLSA-N 1 0 380.286 1.475 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2OC)C1 ZINC000423001001 646107397 /nfs/dbraw/zinc/10/73/97/646107397.db2.gz HHASCZGMBRFTTB-GFCCVEGCSA-N 1 0 398.301 1.484 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2OC)C1 ZINC000423001002 646107511 /nfs/dbraw/zinc/10/75/11/646107511.db2.gz HHASCZGMBRFTTB-LBPRGKRZSA-N 1 0 398.301 1.484 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423008319 646108920 /nfs/dbraw/zinc/10/89/20/646108920.db2.gz ZWDSNIUNUAMKPR-ZDUSSCGKSA-N 1 0 384.274 1.236 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC[C@H]1[NH3+] ZINC000423022107 646109625 /nfs/dbraw/zinc/10/96/25/646109625.db2.gz HDTDBHQGKJDONE-TZMCWYRMSA-N 1 0 384.933 1.241 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)C1 ZINC000423027269 646109631 /nfs/dbraw/zinc/10/96/31/646109631.db2.gz RGTPNCFCKDOXLP-LLVKDONJSA-N 1 0 388.331 1.927 20 0 GDADRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423054345 646110382 /nfs/dbraw/zinc/11/03/82/646110382.db2.gz BSQDFYVHNVQVTR-KBPBESRZSA-N 1 0 386.484 1.358 20 0 GDADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423118098 646115207 /nfs/dbraw/zinc/11/52/07/646115207.db2.gz YUADATYLCNWPCJ-CYBMUJFWSA-N 1 0 386.265 1.885 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH3+] ZINC000423176353 646117925 /nfs/dbraw/zinc/11/79/25/646117925.db2.gz GXVDROGFHZDCKS-ABAIWWIYSA-N 1 0 388.295 1.510 20 0 GDADRO [NH3+]CCCn1cc(C(=O)NCC2(c3cccc(Br)c3)CC2)nn1 ZINC000423190638 646118607 /nfs/dbraw/zinc/11/86/07/646118607.db2.gz RFNBRMZRFWARTE-UHFFFAOYSA-N 1 0 378.274 1.851 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423234714 646120080 /nfs/dbraw/zinc/12/00/80/646120080.db2.gz FVWVSBJQMJEYQE-ABAIWWIYSA-N 1 0 386.279 1.701 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423234717 646120136 /nfs/dbraw/zinc/12/01/36/646120136.db2.gz FVWVSBJQMJEYQE-XHDPSFHLSA-N 1 0 386.279 1.701 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C1 ZINC000423241888 646121891 /nfs/dbraw/zinc/12/18/91/646121891.db2.gz LSABZXUDMDSXQD-OAHLLOKOSA-N 1 0 382.302 1.660 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423241912 646121983 /nfs/dbraw/zinc/12/19/83/646121983.db2.gz LTJIHOMHEUUDPG-OAHLLOKOSA-N 1 0 388.295 1.961 20 0 GDADRO C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423523472 646127476 /nfs/dbraw/zinc/12/74/76/646127476.db2.gz NMFGLPAVUSHNNE-NILFDRSVSA-N 1 0 396.285 1.297 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000423563946 646130741 /nfs/dbraw/zinc/13/07/41/646130741.db2.gz ANANBKHUOXHHCX-LBPRGKRZSA-N 1 0 396.285 1.238 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000423570105 646131660 /nfs/dbraw/zinc/13/16/60/646131660.db2.gz NDNKBBAFSKSVAN-WDEREUQCSA-N 1 0 386.315 1.981 20 0 GDADRO CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000423579602 646132649 /nfs/dbraw/zinc/13/26/49/646132649.db2.gz OXYTZFFDBWVZAR-CYBMUJFWSA-N 1 0 382.258 1.163 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000423625528 646138657 /nfs/dbraw/zinc/13/86/57/646138657.db2.gz FWEVZDQPNQQXBX-JSGCOSHPSA-N 1 0 380.286 1.572 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000423653121 646139304 /nfs/dbraw/zinc/13/93/04/646139304.db2.gz OKQYOUHCRNJLDZ-VXGBXAGGSA-N 1 0 398.301 1.625 20 0 GDADRO [NH3+]C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C1CCCC1 ZINC000423941060 646144540 /nfs/dbraw/zinc/14/45/40/646144540.db2.gz OIDUBVRELBRVQE-ZDUSSCGKSA-N 1 0 387.527 1.016 20 0 GDADRO CN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H](C[NH3+])C1CC1 ZINC000423950388 646145672 /nfs/dbraw/zinc/14/56/72/646145672.db2.gz OAXUXLADLJNQLQ-DOMZBBRYSA-N 1 0 380.286 1.998 20 0 GDADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000423975210 646148420 /nfs/dbraw/zinc/14/84/20/646148420.db2.gz LHPFKLSIXZUBOU-CYBMUJFWSA-N 1 0 395.257 1.090 20 0 GDADRO Cc1nn(-c2ccc(C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)c(C)c1Br ZINC000423994360 646150409 /nfs/dbraw/zinc/15/04/09/646150409.db2.gz SFRKNYNFAGDXDR-HNNXBMFYSA-N 1 0 393.285 1.970 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000424055748 646156687 /nfs/dbraw/zinc/15/66/87/646156687.db2.gz RSIFXYYKMLGUFP-CRWXNKLISA-N 1 0 387.933 1.839 20 0 GDADRO CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439434628 646231408 /nfs/dbraw/zinc/23/14/08/646231408.db2.gz SUYYAZYTOWJMHM-GXTWGEPZSA-N 1 0 375.238 1.538 20 0 GDADRO CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439441910 646232221 /nfs/dbraw/zinc/23/22/21/646232221.db2.gz QPHXBFHEZLOCMV-GXFFZTMASA-N 1 0 377.254 1.642 20 0 GDADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)CC(C)(CO)CO ZINC000439443541 646232846 /nfs/dbraw/zinc/23/28/46/646232846.db2.gz SXBVJRMWXCZEOP-ZDUSSCGKSA-N 1 0 380.254 1.251 20 0 GDADRO CNC(=O)CCC[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439442202 646232935 /nfs/dbraw/zinc/23/29/35/646232935.db2.gz RYOQRYYWQVGQCS-CYBMUJFWSA-N 1 0 377.254 1.786 20 0 GDADRO OCCO[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439442542 646232994 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1.193 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCc2ccc(Br)c(F)c2C1 ZINC000917959384 660226049 /nfs/dbraw/zinc/22/60/49/660226049.db2.gz DCJQHVZFHOMKRQ-ZDUSSCGKSA-N 1 0 399.308 1.902 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CCO1 ZINC000903487646 659317196 /nfs/dbraw/zinc/31/71/96/659317196.db2.gz FCMJVTQCQJBGJS-TVQRCGJNSA-N 1 0 388.287 1.667 20 0 GDADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(I)s1 ZINC000903487182 659317212 /nfs/dbraw/zinc/31/72/12/659317212.db2.gz RVYFKTUXCLCPFY-UHFFFAOYSA-N 1 0 388.296 1.958 20 0 GDADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000907294747 659721633 /nfs/dbraw/zinc/72/16/33/659721633.db2.gz MRTDLTICYOFYLY-ZDUSSCGKSA-N 1 0 384.889 1.436 20 0 GDADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000907294746 659721655 /nfs/dbraw/zinc/72/16/55/659721655.db2.gz MRTDLTICYOFYLY-CYBMUJFWSA-N 1 0 384.889 1.436 20 0 GDADRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3cccnc3OCC(F)F)C[C@@]2(C)C1 ZINC000918368323 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GDADRO COCCN1CCC([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000467412553 647642933 /nfs/dbraw/zinc/64/29/33/647642933.db2.gz SQPCMTOTKCJLFX-UHFFFAOYSA-N 1 0 389.949 1.709 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1Cl ZINC000467592040 647647514 /nfs/dbraw/zinc/64/75/14/647647514.db2.gz VXLJJWGQZIZUOA-INIZCTEOSA-N 1 0 392.283 1.759 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000469258392 647702593 /nfs/dbraw/zinc/70/25/93/647702593.db2.gz JBBLUCJUHYUHDL-GFCCVEGCSA-N 1 0 380.436 1.405 20 0 GDADRO Cc1cc(NC(=O)CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)ccc1Br ZINC000469641734 647714068 /nfs/dbraw/zinc/71/40/68/647714068.db2.gz KVQXQJKOVBCQGJ-HNNXBMFYSA-N 1 0 398.301 1.921 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(Br)cc1N ZINC000470278217 647721721 /nfs/dbraw/zinc/72/17/21/647721721.db2.gz NVSWQONYNPBWBW-OAHLLOKOSA-N 1 0 397.317 1.704 20 0 GDADRO C[C@H](C[NH3+])NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000470453714 647726657 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CCO[C@H](CNS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C)C[NH+](C)C ZINC000921632257 660316953 /nfs/dbraw/zinc/31/69/53/660316953.db2.gz MNOKGTPLPCBBRM-CYBMUJFWSA-N 1 0 391.921 1.253 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)C[NH+](C)C ZINC000921637742 660317909 /nfs/dbraw/zinc/31/79/09/660317909.db2.gz WXHLOUGQUHQCQH-DGCLKSJQSA-N 1 0 377.532 1.190 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000477194148 647797595 /nfs/dbraw/zinc/79/75/95/647797595.db2.gz XTEHIAXHTKGSEJ-NEPJUHHUSA-N 1 0 398.301 1.770 20 0 GDADRO CC(C)OCCS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000477425602 647804085 /nfs/dbraw/zinc/80/40/85/647804085.db2.gz SVULJMMCFYKNGI-UHFFFAOYSA-N 1 0 377.551 1.054 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000479333995 647828486 /nfs/dbraw/zinc/82/84/86/647828486.db2.gz ISWXTTUZYUMYOA-NWDGAFQWSA-N 1 0 391.331 1.973 20 0 GDADRO CC1CCC(NS(=O)(=O)CC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000480272187 647842425 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GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000487373737 647950380 /nfs/dbraw/zinc/95/03/80/647950380.db2.gz CNCINLCOZQXVEW-ZDUSSCGKSA-N 1 0 375.922 1.653 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000488580408 647962470 /nfs/dbraw/zinc/96/24/70/647962470.db2.gz IETDGUIJGZWAKD-FUHWJXTLSA-N 1 0 376.563 1.812 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000494955620 648008118 /nfs/dbraw/zinc/00/81/18/648008118.db2.gz SVCJLFCFPLKNMB-CQSZACIVSA-N 1 0 376.567 1.609 20 0 GDADRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[C@@H]1[NH+](C)C ZINC000495711133 648015054 /nfs/dbraw/zinc/01/50/54/648015054.db2.gz CLHRJWWLRHYVPD-VHSXEESVSA-N 1 0 397.975 1.184 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[C@@H]1[NH3+] ZINC000497366951 648028075 /nfs/dbraw/zinc/02/80/75/648028075.db2.gz QJXGHYHKLPCZFJ-GWCFXTLKSA-N 1 0 376.320 1.873 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000497369391 648028310 /nfs/dbraw/zinc/02/83/10/648028310.db2.gz QJWOZYRVQZMWOB-ZWNOBZJWSA-N 1 0 380.919 1.242 20 0 GDADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000497590036 648033362 /nfs/dbraw/zinc/03/33/62/648033362.db2.gz ZOULUAUKROCCLK-JTQLQIEISA-N 1 0 384.424 1.113 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000497606132 648033987 /nfs/dbraw/zinc/03/39/87/648033987.db2.gz AXNOLWHPQLGLKD-AWEZNQCLSA-N 1 0 396.962 1.879 20 0 GDADRO CCOc1c(Cl)cc(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc1OC ZINC000497709056 648035251 /nfs/dbraw/zinc/03/52/51/648035251.db2.gz PWDJWBFTXCSXGK-GFCCVEGCSA-N 1 0 378.878 1.126 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)c1nc2ncc(Br)cn2n1)c1ccsc1 ZINC000497986553 648045351 /nfs/dbraw/zinc/04/53/51/648045351.db2.gz OQBJHDYEHFIXMM-NSHDSACASA-N 1 0 395.286 1.981 20 0 GDADRO [NH3+][C@@H](CC(F)F)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000498194743 648050389 /nfs/dbraw/zinc/05/03/89/648050389.db2.gz GNDSDZWCNWRWFO-AWEZNQCLSA-N 1 0 375.441 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398.257 1.746 20 0 GDADRO CC[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C(=O)N1CCOCC1 ZINC000571432271 651077071 /nfs/dbraw/zinc/07/70/71/651077071.db2.gz AHLFIZVOSANZGN-DZGCQCFKSA-N 1 0 391.295 1.960 20 0 GDADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571463271 651077412 /nfs/dbraw/zinc/07/74/12/651077412.db2.gz BIOBYUIEVWTYNL-XPKDYRNWSA-N 1 0 394.313 1.788 20 0 GDADRO O=C1[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000571516990 651078732 /nfs/dbraw/zinc/07/87/32/651078732.db2.gz XHTSACPLXKPLPM-CQSZACIVSA-N 1 0 390.864 1.114 20 0 GDADRO OC[C@H](Cc1cccnc1)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000571680656 651080637 /nfs/dbraw/zinc/08/06/37/651080637.db2.gz BQMWWEVIEXRVTO-JKSUJKDBSA-N 1 0 381.270 1.777 20 0 GDADRO C[NH+]1CCC(NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000571777782 651082208 /nfs/dbraw/zinc/08/22/08/651082208.db2.gz XKXGDKGAKXJTMX-UHFFFAOYSA-N 1 0 392.884 1.151 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(Cc3ncc(-c4ccccc4Br)o3)CCN2C1=O ZINC000572379603 651095610 /nfs/dbraw/zinc/09/56/10/651095610.db2.gz LKUKFNLLIWIKMD-BXUZGUMPSA-N 1 0 391.269 1.848 20 0 GDADRO Cc1ccc(I)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000572492450 651098448 /nfs/dbraw/zinc/09/84/48/651098448.db2.gz UACJJYGLWHWMKI-AWEZNQCLSA-N 1 0 390.265 1.587 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000572502578 651098803 /nfs/dbraw/zinc/09/88/03/651098803.db2.gz XIJDEKJQYYBTRK-LBPRGKRZSA-N 1 0 389.905 1.471 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000572640843 651100964 /nfs/dbraw/zinc/10/09/64/651100964.db2.gz IPZKNEVMWRXZIQ-SCVCMEIPSA-N 1 0 394.269 1.690 20 0 GDADRO C[C@H](C[NH3+])CNS(=O)(=O)c1ccc(Cl)cc1I ZINC000572721119 651103461 /nfs/dbraw/zinc/10/34/61/651103461.db2.gz RAZYQZMQOORDAB-SSDOTTSWSA-N 1 0 388.658 1.818 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1OC ZINC000572761928 651105099 /nfs/dbraw/zinc/10/50/99/651105099.db2.gz MZMURABXGDJQDI-UWVGGRQHSA-N 1 0 376.862 1.493 20 0 GDADRO CN(CCC(=O)NCc1nn(C)cc1I)c1cc[nH+]cc1 ZINC000573205165 651471418 /nfs/dbraw/zinc/47/14/18/651471418.db2.gz XLLVCLSSHKTTND-UHFFFAOYSA-N 1 0 399.236 1.562 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)C2)C1 ZINC000573303583 651475213 /nfs/dbraw/zinc/47/52/13/651475213.db2.gz BWUAZMILMWSAIO-KRWDZBQOSA-N 1 0 383.901 1.941 20 0 GDADRO O=C1NCC[C@]12CCC[N@H+]2C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000573383667 651477135 /nfs/dbraw/zinc/47/71/35/651477135.db2.gz CBUAJYSTFXKZEM-XJKSGUPXSA-N 1 0 387.249 1.682 20 0 GDADRO O=C(NCCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000573465138 651479766 /nfs/dbraw/zinc/47/97/66/651479766.db2.gz CNEVBNLYVWERGR-BETUJISGSA-N 1 0 381.274 1.040 20 0 GDADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(F)F ZINC000573488048 651480834 /nfs/dbraw/zinc/48/08/34/651480834.db2.gz MWKABXJOESWQTP-KBPBESRZSA-N 1 0 375.441 1.329 20 0 GDADRO [NH3+]CC[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(F)F ZINC000573488062 651480873 /nfs/dbraw/zinc/48/08/73/651480873.db2.gz MWKABXJOESWQTP-UONOGXRCSA-N 1 0 375.441 1.329 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl)C1CC1 ZINC000573585221 651485058 /nfs/dbraw/zinc/48/50/58/651485058.db2.gz WBBVLSXGUHXYFF-UHFFFAOYSA-N 1 0 388.299 1.517 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000573665765 651489650 /nfs/dbraw/zinc/48/96/50/651489650.db2.gz UIFZMODEZIDCDW-UHFFFAOYSA-N 1 0 393.079 1.957 20 0 GDADRO CCC[N@H+](C)CC(=O)NCC(=O)Nc1ccc(I)cc1 ZINC000573735408 651493879 /nfs/dbraw/zinc/49/38/79/651493879.db2.gz PJUJBASIVFTBPJ-UHFFFAOYSA-N 1 0 389.237 1.688 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000573921608 651501802 /nfs/dbraw/zinc/50/18/02/651501802.db2.gz DJYTXAUIVMSNCZ-WDEREUQCSA-N 1 0 379.404 1.179 20 0 GDADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000574059224 651513994 /nfs/dbraw/zinc/51/39/94/651513994.db2.gz GYGGTWRHIABJRP-WBVHZDCISA-N 1 0 389.539 1.552 20 0 GDADRO COCCOC[C@@H](O)C[NH2+]CC(=O)Nc1cc(Br)ccc1C ZINC000574151922 651519167 /nfs/dbraw/zinc/51/91/67/651519167.db2.gz XHNXELNRCGBTIH-ZDUSSCGKSA-N 1 0 375.263 1.310 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000574159387 651519957 /nfs/dbraw/zinc/51/99/57/651519957.db2.gz NZFXZLVUEKQNFG-ZDUSSCGKSA-N 1 0 385.452 1.334 20 0 GDADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1COCCO1 ZINC000574253038 651526282 /nfs/dbraw/zinc/52/62/82/651526282.db2.gz JFLLAEUSCHRACD-WBMJQRKESA-N 1 0 398.301 1.943 20 0 GDADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000574385910 651537324 /nfs/dbraw/zinc/53/73/24/651537324.db2.gz LNKNWYNNAHCJRA-ZDUSSCGKSA-N 1 0 380.286 1.592 20 0 GDADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2nc3c(cccc3Br)[nH]2)C[C@@H](C)O1 ZINC000574393868 651538046 /nfs/dbraw/zinc/53/80/46/651538046.db2.gz XREIVFZWLSHMQP-JHJVBQTASA-N 1 0 397.317 1.885 20 0 GDADRO C[C@@]1(F)C[NH2+]CCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000574452546 651543941 /nfs/dbraw/zinc/54/39/41/651543941.db2.gz BSHJZJRJBLSGGB-CQSZACIVSA-N 1 0 379.295 1.856 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C(C1CC1)C1CC1 ZINC000574475435 651545504 /nfs/dbraw/zinc/54/55/04/651545504.db2.gz JOZXQGVWNDEBHH-UHFFFAOYSA-N 1 0 386.539 1.489 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000574754988 651565990 /nfs/dbraw/zinc/56/59/90/651565990.db2.gz UQTFDFLQXMPHQN-OCCSQVGLSA-N 1 0 387.527 1.015 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])Oc1ccccc1Br ZINC000575046625 651578925 /nfs/dbraw/zinc/57/89/25/651578925.db2.gz XIJGKLODDGKSBO-SDDRHHMPSA-N 1 0 386.290 1.575 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000575407587 651595375 /nfs/dbraw/zinc/59/53/75/651595375.db2.gz SWJWZLDQAUEYNP-HIFRSBDPSA-N 1 0 387.933 1.950 20 0 GDADRO COc1cc(F)c(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC ZINC000575412309 651596080 /nfs/dbraw/zinc/59/60/80/651596080.db2.gz UWAQDQRUUXYNSI-CYBMUJFWSA-N 1 0 375.466 1.203 20 0 GDADRO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCc2cc(Br)ccc21 ZINC000576463047 651666116 /nfs/dbraw/zinc/66/61/16/651666116.db2.gz LLQBQRFUGMDIMK-CYBMUJFWSA-N 1 0 376.258 1.996 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(Br)c2C)C1 ZINC000576598183 651674809 /nfs/dbraw/zinc/67/48/09/651674809.db2.gz HHQZOWTYWCVXMR-ZDUSSCGKSA-N 1 0 382.302 1.832 20 0 GDADRO COc1ccc2nc(C[NH2+][C@@H]3CCCN(S(=O)(=O)N(C)C)C3)sc2c1 ZINC000576617873 651676741 /nfs/dbraw/zinc/67/67/41/651676741.db2.gz PWFDDILRZALINH-GFCCVEGCSA-N 1 0 384.527 1.665 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000576627060 651677204 /nfs/dbraw/zinc/67/72/04/651677204.db2.gz MBZLLZGXXQWVHR-AEGPPILISA-N 1 0 379.507 1.287 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@H](C)[C@H]2C)c(C)c[nH+]1 ZINC000576717959 651681238 /nfs/dbraw/zinc/68/12/38/651681238.db2.gz NHLZQCSBPLUZDV-DZGCQCFKSA-N 1 0 389.543 1.312 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000577175130 651713307 /nfs/dbraw/zinc/71/33/07/651713307.db2.gz GMCNKPNTOWDGSE-ZDUSSCGKSA-N 1 0 384.274 1.332 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000577222620 651716261 /nfs/dbraw/zinc/71/62/61/651716261.db2.gz OSDAFFMVJZQUGN-MNOVXSKESA-N 1 0 375.288 1.419 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C2CC([NH3+])C2)cc1 ZINC000577220113 651716298 /nfs/dbraw/zinc/71/62/98/651716298.db2.gz FHPSSMYNZVYHQX-UHFFFAOYSA-N 1 0 375.516 1.339 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(OC)cc2Cl)CC1 ZINC000577414801 651728198 /nfs/dbraw/zinc/72/81/98/651728198.db2.gz HJYOGPDBXFPDTE-AWEZNQCLSA-N 1 0 389.949 1.901 20 0 GDADRO CCn1c2cc(Br)ccc2nc1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000577507582 651733515 /nfs/dbraw/zinc/73/35/15/651733515.db2.gz KCCLLIXOKMYXMH-LBPRGKRZSA-N 1 0 394.273 1.625 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC1=CC[NH2+]CC1 ZINC000577514404 651734742 /nfs/dbraw/zinc/73/47/42/651734742.db2.gz CYPRRYFECCRNFC-UHFFFAOYSA-N 1 0 378.281 1.308 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](C)[C@@H](C)OC ZINC000577723219 651747425 /nfs/dbraw/zinc/74/74/25/651747425.db2.gz KTLMAOMSJDMQMO-ZIAGYGMSSA-N 1 0 377.528 1.657 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000578012638 651764924 /nfs/dbraw/zinc/76/49/24/651764924.db2.gz RSRWRZNFDLZGOB-MWLCHTKSSA-N 1 0 375.878 1.665 20 0 GDADRO CN(Cc1ccc(F)cc1Cl)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000578031300 651767114 /nfs/dbraw/zinc/76/71/14/651767114.db2.gz NXVSMJXRHIAQER-KRWDZBQOSA-N 1 0 387.908 1.991 20 0 GDADRO OC[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C[C@H]1O ZINC000578045198 651768570 /nfs/dbraw/zinc/76/85/70/651768570.db2.gz DQSJUCFAILOEGI-IUODEOHRSA-N 1 0 391.249 1.735 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000578132376 651775477 /nfs/dbraw/zinc/77/54/77/651775477.db2.gz BHTUXWITOOEHNL-OAHLLOKOSA-N 1 0 385.295 1.462 20 0 GDADRO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000578182227 651779086 /nfs/dbraw/zinc/77/90/86/651779086.db2.gz RIHFPNWSGSUHTR-RISCZKNCSA-N 1 0 382.258 1.429 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1O ZINC000578204127 651780485 /nfs/dbraw/zinc/78/04/85/651780485.db2.gz JLWVRRCRAFJXLF-RYUDHWBXSA-N 1 0 392.091 1.959 20 0 GDADRO O=S(=O)(Cc1cccc(Br)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000578358765 651792703 /nfs/dbraw/zinc/79/27/03/651792703.db2.gz JCPDRMBNHRTCKW-OAHLLOKOSA-N 1 0 388.331 1.258 20 0 GDADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000578479870 651793656 /nfs/dbraw/zinc/79/36/56/651793656.db2.gz YAILVSNJTOGTKN-DOTOQJQBSA-N 1 0 396.329 1.106 20 0 GDADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000578739907 651809492 /nfs/dbraw/zinc/80/94/92/651809492.db2.gz WEGAWYUEBOCKOK-RDJZCZTQSA-N 1 0 398.345 1.664 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000578987041 651830211 /nfs/dbraw/zinc/83/02/11/651830211.db2.gz OQEYPWFDMFAWLE-UHFFFAOYSA-N 1 0 387.893 1.278 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000578995001 651830454 /nfs/dbraw/zinc/83/04/54/651830454.db2.gz KQHRZJSFNNIOKV-CQSZACIVSA-N 1 0 379.258 1.743 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000579006002 651832298 /nfs/dbraw/zinc/83/22/98/651832298.db2.gz BQCARQUWSDWFHT-LBPRGKRZSA-N 1 0 382.555 1.776 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000579022758 651833019 /nfs/dbraw/zinc/83/30/19/651833019.db2.gz YLQPKXMVSMUQTR-UWVGGRQHSA-N 1 0 380.297 1.610 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000579026398 651833983 /nfs/dbraw/zinc/83/39/83/651833983.db2.gz WUPKNYGLLJXTFU-VIFPVBQESA-N 1 0 381.267 1.956 20 0 GDADRO COC[C@@]1(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[NH2+]C1 ZINC000579226266 651842645 /nfs/dbraw/zinc/84/26/45/651842645.db2.gz AWFBZFFPABIPJC-SUMWQHHRSA-N 1 0 382.302 1.770 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2nc3ccc(Br)cn3n2)CCSC1 ZINC000579327858 651850368 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CCC[N@H+](C)CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000620625953 652992338 /nfs/dbraw/zinc/99/23/38/652992338.db2.gz FURIMGIVHAVPHA-UHFFFAOYSA-N 1 0 375.922 1.855 20 0 GDADRO C[NH+](C)CC1(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)CCCCC1 ZINC000620733987 652992931 /nfs/dbraw/zinc/99/29/31/652992931.db2.gz MGOJVUQPUYFZKO-UHFFFAOYSA-N 1 0 385.555 1.792 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000621148228 652996279 /nfs/dbraw/zinc/99/62/79/652996279.db2.gz KCNSZQOWPPJMIS-HNNXBMFYSA-N 1 0 375.441 1.090 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CCCCc2cccc(Cl)c2)[C@@H](N2CCOCC2)C1 ZINC000621267264 652996932 /nfs/dbraw/zinc/99/69/32/652996932.db2.gz UTUSLDZISYBULY-ROUUACIJSA-N 1 0 386.945 1.750 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)cc1-n1cnnn1)[C@H]1CCC[NH2+]C1 ZINC000621621209 652997966 /nfs/dbraw/zinc/99/79/66/652997966.db2.gz WDIYFAVTWJYXJF-QWRGUYRKSA-N 1 0 379.262 1.543 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(Br)cc3-n3cnnn3)C[C@@H]21 ZINC000621654267 652998354 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C[NH2+]CCOCCN(C)C(=O)C(=O)NCc1cc(C)ccc1Br ZINC000627316144 653071927 /nfs/dbraw/zinc/07/19/27/653071927.db2.gz BLULRKMKNXMJBC-UHFFFAOYSA-N 1 0 386.290 1.068 20 0 GDADRO [NH3+]CCCOCCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000627320904 653072140 /nfs/dbraw/zinc/07/21/40/653072140.db2.gz VKXODAJCGCXYBP-UHFFFAOYSA-N 1 0 398.301 1.079 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(Br)cc2Cl)C[NH2+]1 ZINC000627325389 653072319 /nfs/dbraw/zinc/07/23/19/653072319.db2.gz HYJHNYVRVOBHQD-CABZTGNLSA-N 1 0 388.693 1.975 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCCOCCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000627352807 653073283 /nfs/dbraw/zinc/07/32/83/653073283.db2.gz JJBBBVIYTWBQMU-UHFFFAOYSA-N 1 0 390.311 1.869 20 0 GDADRO Cc1nc(C)c(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000627355084 653073559 /nfs/dbraw/zinc/07/35/59/653073559.db2.gz XJUAKMJDQYBFQY-MNOVXSKESA-N 1 0 378.420 1.362 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])c1c(Cl)cccc1Cl ZINC000627365946 653073786 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C[C@@H]1C[C@@H]([NH3+])CN1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000631857742 653261317 /nfs/dbraw/zinc/26/13/17/653261317.db2.gz MNQVXJLYDRQCCG-VXGBXAGGSA-N 1 0 388.921 1.340 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000631857740 653261442 /nfs/dbraw/zinc/26/14/42/653261442.db2.gz MNQVXJLYDRQCCG-NWDGAFQWSA-N 1 0 388.921 1.340 20 0 GDADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631911389 653267687 /nfs/dbraw/zinc/26/76/87/653267687.db2.gz DYAYZBMBZAPZJU-CYBMUJFWSA-N 1 0 389.543 1.012 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916550 653269500 /nfs/dbraw/zinc/26/95/00/653269500.db2.gz YFSXFCLBNMCNJJ-RISCZKNCSA-N 1 0 377.304 1.288 20 0 GDADRO C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)Oc1cccc(Br)c1 ZINC000631924102 653271737 /nfs/dbraw/zinc/27/17/37/653271737.db2.gz MHLJMEVFQICDJO-FZMZJTMJSA-N 1 0 393.303 1.124 20 0 GDADRO C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)Oc1ccc(Br)cc1 ZINC000631924599 653271983 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O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000631947940 653277038 /nfs/dbraw/zinc/27/70/38/653277038.db2.gz QBKVQQJINIQKFN-SMDDNHRTSA-N 1 0 378.853 1.171 20 0 GDADRO CN(Cc1ccc2c(c1)OC(F)(F)O2)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631950066 653277879 /nfs/dbraw/zinc/27/78/79/653277879.db2.gz XUPVZQSWGANTKS-UHFFFAOYSA-N 1 0 377.413 1.369 20 0 GDADRO CC[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631952536 653278140 /nfs/dbraw/zinc/27/81/40/653278140.db2.gz LKJYERRGYLJYNR-CABCVRRESA-N 1 0 391.331 1.678 20 0 GDADRO O=C(c1cccc(Cl)c1)N1CCC[C@H](S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000631970250 653281973 /nfs/dbraw/zinc/28/19/73/653281973.db2.gz NFPYKIUYQYSKET-JYJNAYRXSA-N 1 0 383.901 1.321 20 0 GDADRO COC1CC[NH+](CCNS(=O)(=O)Cc2ncsc2Br)CC1 ZINC000632079645 653301439 /nfs/dbraw/zinc/30/14/39/653301439.db2.gz YVAQOYOVUFNMSI-UHFFFAOYSA-N 1 0 398.348 1.436 20 0 GDADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 ZINC000632228622 653320098 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1.979 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1Br ZINC000633037883 653423032 /nfs/dbraw/zinc/42/30/32/653423032.db2.gz DLNKZHNQHNRUQC-RKDXNWHRSA-N 1 0 386.246 1.353 20 0 GDADRO O=C(c1cc(Br)c2nccn2c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000633069099 653425217 /nfs/dbraw/zinc/42/52/17/653425217.db2.gz GRKYPDDLJJDDHL-CHWSQXEVSA-N 1 0 379.258 1.378 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000633102326 653427042 /nfs/dbraw/zinc/42/70/42/653427042.db2.gz IRRVZQXRWOPGRG-UHFFFAOYSA-N 1 0 388.281 1.990 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C[C@H]1C[NH3+] ZINC000633103825 653427630 /nfs/dbraw/zinc/42/76/30/653427630.db2.gz WGCXURFAHIJZJX-LALPHHSUSA-N 1 0 395.301 1.561 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2F)CC[C@H]1[NH3+] ZINC000633107277 653427952 /nfs/dbraw/zinc/42/79/52/653427952.db2.gz YNTLKOOSAYVMOP-IINYFYTJSA-N 1 0 386.265 1.742 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000633108222 653428092 /nfs/dbraw/zinc/42/80/92/653428092.db2.gz DAUWBVHZZLMEQB-DGCLKSJQSA-N 1 0 390.228 1.444 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2F)CC[C@@H]1[NH3+] ZINC000633107281 653428150 /nfs/dbraw/zinc/42/81/50/653428150.db2.gz YNTLKOOSAYVMOP-YGRLFVJLSA-N 1 0 386.265 1.742 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)C2 ZINC000633112254 653428582 /nfs/dbraw/zinc/42/85/82/653428582.db2.gz CZAPTCCHFCLAKE-JSGCOSHPSA-N 1 0 394.313 1.838 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)C2 ZINC000633111914 653428610 /nfs/dbraw/zinc/42/86/10/653428610.db2.gz ACHWROVHFLJFHY-SFHVURJKSA-N 1 0 394.313 1.840 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Br)c2nccn2c1 ZINC000633253901 653434998 /nfs/dbraw/zinc/43/49/98/653434998.db2.gz DKPZLCYTKMMSBG-ZDUSSCGKSA-N 1 0 381.274 1.673 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cscc2Cl)CC1 ZINC000635048390 653504893 /nfs/dbraw/zinc/50/48/93/653504893.db2.gz RQQZJQSDVCZZTC-ZDUSSCGKSA-N 1 0 384.933 1.969 20 0 GDADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2cscc2Cl)ccn1 ZINC000635093024 653505978 /nfs/dbraw/zinc/50/59/78/653505978.db2.gz DYDUKYCRPVFVFP-UHFFFAOYSA-N 1 0 382.873 1.992 20 0 GDADRO O=C(Nc1cscc1Cl)C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000635186329 653507919 /nfs/dbraw/zinc/50/79/19/653507919.db2.gz CWCUOYJCZNIQCK-LLVKDONJSA-N 1 0 384.889 1.153 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C12CCC[NH+](CCC1)C2 ZINC000635240352 653509747 /nfs/dbraw/zinc/50/97/47/653509747.db2.gz FSSSNAZZBIBHRB-UHFFFAOYSA-N 1 0 385.917 1.611 20 0 GDADRO [NH3+]Cc1ncc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cn1 ZINC000637950015 653532957 /nfs/dbraw/zinc/53/29/57/653532957.db2.gz ZELOADJUHALDLM-AWEZNQCLSA-N 1 0 377.242 1.912 20 0 GDADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000637966592 653533419 /nfs/dbraw/zinc/53/34/19/653533419.db2.gz UHZOKBYOLOMCJQ-CXAGYDPISA-N 1 0 398.301 1.969 20 0 GDADRO C[C@@]1(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C[NH2+]CCO1 ZINC000637971414 653533743 /nfs/dbraw/zinc/53/37/43/653533743.db2.gz VCACIYMPTLOVLU-INIZCTEOSA-N 1 0 384.274 1.064 20 0 GDADRO COc1cc(Br)c(CNC(=O)[C@@]2(C[NH3+])CCCOC2)cc1OC ZINC000637980576 653534075 /nfs/dbraw/zinc/53/40/75/653534075.db2.gz YUKZBEADAXJHEF-MRXNPFEDSA-N 1 0 387.274 1.838 20 0 GDADRO CN1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1c1ccc(Br)cc1 ZINC000638274257 653537277 /nfs/dbraw/zinc/53/72/77/653537277.db2.gz DSCRXKYSLDDDLQ-CABCVRRESA-N 1 0 390.347 1.723 20 0 GDADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638124688 653537325 /nfs/dbraw/zinc/53/73/25/653537325.db2.gz BQUABSNQQCAKFK-VBNZEHGJSA-N 1 0 382.302 1.771 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000638295495 653537485 /nfs/dbraw/zinc/53/74/85/653537485.db2.gz YFRHFGSMPJQSTP-MRXNPFEDSA-N 1 0 381.523 1.559 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638312056 653538031 /nfs/dbraw/zinc/53/80/31/653538031.db2.gz ZRTFXYZGCUJHDN-OLZOCXBDSA-N 1 0 379.404 1.245 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638337593 653538460 /nfs/dbraw/zinc/53/84/60/653538460.db2.gz HYCZZXSUWSQSDA-LSDHHAIUSA-N 1 0 396.285 1.045 20 0 GDADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000638351057 653538830 /nfs/dbraw/zinc/53/88/30/653538830.db2.gz CKVZQGZBKATJQG-RWMBFGLXSA-N 1 0 382.448 1.446 20 0 GDADRO CS(=O)(=O)c1ccccc1CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638556711 653539913 /nfs/dbraw/zinc/53/99/13/653539913.db2.gz DXEBPTPZEVGINP-QWHCGFSZSA-N 1 0 378.416 1.618 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000638568480 653540271 /nfs/dbraw/zinc/54/02/71/653540271.db2.gz OTBXMJNJGQKMCX-DZGCQCFKSA-N 1 0 393.285 1.806 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000638594584 653541199 /nfs/dbraw/zinc/54/11/99/653541199.db2.gz JQPFFOCDOIOPAP-UKRRQHHQSA-N 1 0 375.560 1.622 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000638644874 653541548 /nfs/dbraw/zinc/54/15/48/653541548.db2.gz SDKYROPGHDKRKD-JFGNBEQYSA-N 1 0 394.269 1.690 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[NH2+]1 ZINC000638653905 653541953 /nfs/dbraw/zinc/54/19/53/653541953.db2.gz BNFCRUZXODAQMZ-MWLCHTKSSA-N 1 0 380.242 1.302 20 0 GDADRO CO[C@@H](C[NH2+]CCNS(=O)(=O)c1cc(C)sc1C)C1CCOCC1 ZINC000638789295 653543689 /nfs/dbraw/zinc/54/36/89/653543689.db2.gz VSQLFXYOGUYTQO-HNNXBMFYSA-N 1 0 376.544 1.674 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)c1cn(CCC[NH3+])nn1)C2 ZINC000638825448 653544165 /nfs/dbraw/zinc/54/41/65/653544165.db2.gz QNGSUYTZSFFLNT-UHFFFAOYSA-N 1 0 378.274 1.896 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@H]1CCCO1 ZINC000639171159 653547873 /nfs/dbraw/zinc/54/78/73/653547873.db2.gz SOHAUDAUUONCBX-CQSZACIVSA-N 1 0 375.922 1.530 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CCCNC(=O)C2)cc1Br ZINC000639251305 653548304 /nfs/dbraw/zinc/54/83/04/653548304.db2.gz JAXHFGZRUQCQKT-ZIAGYGMSSA-N 1 0 385.302 1.867 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cnn2cc(Br)cnc12 ZINC000639284836 653549333 /nfs/dbraw/zinc/54/93/33/653549333.db2.gz COVZDKOXFZIZNP-NSHDSACASA-N 1 0 381.278 1.044 20 0 GDADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC000641365707 653566407 /nfs/dbraw/zinc/56/64/07/653566407.db2.gz RFWBKTPVTQTIER-SNVBAGLBSA-N 1 0 388.291 1.112 20 0 GDADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641368268 653566632 /nfs/dbraw/zinc/56/66/32/653566632.db2.gz SYBNRFGVWNVNQN-UHFFFAOYSA-N 1 0 390.307 1.454 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC000641568576 653571688 /nfs/dbraw/zinc/57/16/88/653571688.db2.gz NXXCXWXZLWEYJI-JGZJWPJOSA-N 1 0 388.291 1.110 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)CC[C@H]1[NH3+] ZINC000642114936 653577150 /nfs/dbraw/zinc/57/71/50/653577150.db2.gz WADZYPLUKCQDBT-BXUZGUMPSA-N 1 0 386.265 1.790 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000642373577 653578381 /nfs/dbraw/zinc/57/83/81/653578381.db2.gz HGOKHVUUBNUWNS-SWLSCSKDSA-N 1 0 380.286 1.584 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000642777873 653579208 /nfs/dbraw/zinc/57/92/08/653579208.db2.gz UODPSFDCZAEFFU-JSGCOSHPSA-N 1 0 398.301 1.591 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCCS(=O)(=O)NC(C)(C)C)c1ccsc1 ZINC000642854827 653579573 /nfs/dbraw/zinc/57/95/73/653579573.db2.gz BGMGLAWXOOHAEZ-ZDUSSCGKSA-N 1 0 376.548 1.368 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000642909396 653579800 /nfs/dbraw/zinc/57/98/00/653579800.db2.gz MBCWFKAPZJBWHW-ZWNOBZJWSA-N 1 0 375.416 1.785 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)CCO1 ZINC000643477634 653583038 /nfs/dbraw/zinc/58/30/38/653583038.db2.gz ZEYLCBIZDURDDW-MWLCHTKSSA-N 1 0 390.303 1.044 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)Cc2csc(Br)c2)CCO1 ZINC000643494785 653583132 /nfs/dbraw/zinc/58/31/32/653583132.db2.gz CRWHQYFAIJZYPU-GXSJLCMTSA-N 1 0 390.303 1.044 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CCc2cc(Br)ccc2C1 ZINC000643542230 653583394 /nfs/dbraw/zinc/58/33/94/653583394.db2.gz CTDPYCUGUDLGPY-LRDDRELGSA-N 1 0 392.297 1.544 20 0 GDADRO Cc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1S(N)(=O)=O ZINC000643602686 653583703 /nfs/dbraw/zinc/58/37/03/653583703.db2.gz CRAPPDLAJGVCNS-UHFFFAOYSA-N 1 0 380.495 1.818 20 0 GDADRO C[C@H]1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000643604078 653583749 /nfs/dbraw/zinc/58/37/49/653583749.db2.gz CVNPNFMZAVFSPL-NWDGAFQWSA-N 1 0 389.315 1.666 20 0 GDADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000644015644 653594852 /nfs/dbraw/zinc/59/48/52/653594852.db2.gz OOMCKSSFISPBPK-SMDDNHRTSA-N 1 0 375.441 1.947 20 0 GDADRO CN(C(=O)CS(=O)(=O)Cc1cccc(Br)c1)C1(C[NH3+])CCC1 ZINC000644139787 653595967 /nfs/dbraw/zinc/59/59/67/653595967.db2.gz DDTKWUBSPVTTJH-UHFFFAOYSA-N 1 0 389.315 1.704 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)cc4c3OCC4)[C@@H]2C1 ZINC000644299310 653597368 /nfs/dbraw/zinc/59/73/68/653597368.db2.gz KAJGQLBUPHFSLY-DGCLKSJQSA-N 1 0 387.299 1.709 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)ccc1Br ZINC000644298539 653597388 /nfs/dbraw/zinc/59/73/88/653597388.db2.gz GFNQYNIULOEGGU-ZWNOBZJWSA-N 1 0 375.288 1.782 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1OC ZINC000644301058 653597458 /nfs/dbraw/zinc/59/74/58/653597458.db2.gz RGOZSTYBWFSORD-MFKMUULPSA-N 1 0 387.889 1.033 20 0 GDADRO CNS(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)COCc2cccs2)cc1 ZINC000644514453 653599052 /nfs/dbraw/zinc/59/90/52/653599052.db2.gz QCONDGGUMNPBRW-MRXNPFEDSA-N 1 0 384.523 1.465 20 0 GDADRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000644513104 653599053 /nfs/dbraw/zinc/59/90/53/653599053.db2.gz HRWBYGFQMHLPAL-LLVKDONJSA-N 1 0 388.536 1.647 20 0 GDADRO C[C@H]([NH2+]C1COCCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000644552336 653599271 /nfs/dbraw/zinc/59/92/71/653599271.db2.gz JMXZJJPQLWSZSF-VIFPVBQESA-N 1 0 379.276 1.163 20 0 GDADRO O=C1NCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000644556119 653599294 /nfs/dbraw/zinc/59/92/94/653599294.db2.gz VBXBBHKLBAKKNU-ZYHUDNBSSA-N 1 0 391.693 1.958 20 0 GDADRO O=C1NCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000644556110 653599301 /nfs/dbraw/zinc/59/93/01/653599301.db2.gz VBXBBHKLBAKKNU-CMPLNLGQSA-N 1 0 391.693 1.958 20 0 GDADRO O=S1(=O)CC(CC[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000644630026 653599742 /nfs/dbraw/zinc/59/97/42/653599742.db2.gz FSSKIOQHFUTUMT-ZDUSSCGKSA-N 1 0 378.288 1.213 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644657450 653599980 /nfs/dbraw/zinc/59/99/80/653599980.db2.gz RXBOBQFKFMTVSK-GHMZBOCLSA-N 1 0 385.313 1.651 20 0 GDADRO C[C@H](NC(=O)Nc1cnc2c(Br)cccn12)[C@@H]1CN(C)CCO1 ZINC000645010881 653601133 /nfs/dbraw/zinc/60/11/33/653601133.db2.gz HABJYCPKYPZKAO-JQWIXIFHSA-N 1 0 382.262 1.937 20 0 GDADRO CO[C@@H](CS(=O)(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C(C)C ZINC000645505277 653603333 /nfs/dbraw/zinc/60/33/33/653603333.db2.gz HEDFUXGDNIGNLF-KSZLIROESA-N 1 0 375.579 1.478 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CCC[C@@H]2CCOC2)[C@H](C)C1 ZINC000645542524 653603866 /nfs/dbraw/zinc/60/38/66/653603866.db2.gz NEDQDSWTXIPXFD-KURKYZTESA-N 1 0 376.563 1.860 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)CCCC2CCOCC2)CC1 ZINC000645564633 653604162 /nfs/dbraw/zinc/60/41/62/653604162.db2.gz FJNIGHRJKRWVDV-KRWDZBQOSA-N 1 0 375.579 1.386 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccccc1Br ZINC000645834274 653607226 /nfs/dbraw/zinc/60/72/26/653607226.db2.gz IUDRAWNZZHXTJJ-NSHDSACASA-N 1 0 390.303 1.190 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000645835197 653607251 /nfs/dbraw/zinc/60/72/51/653607251.db2.gz KNVOUTXDNQLKKC-LLVKDONJSA-N 1 0 394.324 1.875 20 0 GDADRO Cc1nc2ccc(S(=O)(=O)N3CN(CC[NH+](C)C)C(=O)[C@@H]3C)cc2s1 ZINC000645835977 653607300 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GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC000648122091 653639342 /nfs/dbraw/zinc/63/93/42/653639342.db2.gz JRRWLMFNESMZNY-RYUDHWBXSA-N 1 0 390.303 1.114 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000648122138 653639395 /nfs/dbraw/zinc/63/93/95/653639395.db2.gz MFAQUYOSMDZRTQ-UWVGGRQHSA-N 1 0 380.297 1.658 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186810 653640782 /nfs/dbraw/zinc/64/07/82/653640782.db2.gz DRRSALTYVZFTPU-CYBMUJFWSA-N 1 0 385.917 1.799 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648206612 653641011 /nfs/dbraw/zinc/64/10/11/653641011.db2.gz IWXCIFMQECAGQU-SWLSCSKDSA-N 1 0 385.917 1.798 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C[C@H](C)n3cc(Br)cn3)[C@H]2C1 ZINC000648402345 653648412 /nfs/dbraw/zinc/64/84/12/653648412.db2.gz CGLNBPXGRAWRHK-AEGPPILISA-N 1 0 385.306 1.918 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000648447841 653649680 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O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000652723186 653896927 /nfs/dbraw/zinc/89/69/27/653896927.db2.gz REDAYCXXGVRPMQ-UHFFFAOYSA-N 1 0 394.313 1.840 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000652726694 653897415 /nfs/dbraw/zinc/89/74/15/653897415.db2.gz JDDOEPVNRSOHCD-UKRRQHHQSA-N 1 0 398.301 1.230 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653061067 653904664 /nfs/dbraw/zinc/90/46/64/653904664.db2.gz AEHCQMHAMHNOPO-NSHDSACASA-N 1 0 379.404 1.855 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000653082657 653905534 /nfs/dbraw/zinc/90/55/34/653905534.db2.gz ABFAFWGLURUVDW-CYBMUJFWSA-N 1 0 385.306 1.481 20 0 GDADRO C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000653104527 653906263 /nfs/dbraw/zinc/90/62/63/653906263.db2.gz KFNIBDBSBOAZLB-GWCFXTLKSA-N 1 0 396.289 1.955 20 0 GDADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653103515 653906294 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383.539 1.558 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ncccc2Br)CCOCC1 ZINC000656904209 654069072 /nfs/dbraw/zinc/06/90/72/654069072.db2.gz QOGLZWRGBIFUGD-UHFFFAOYSA-N 1 0 378.292 1.233 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656927905 654074457 /nfs/dbraw/zinc/07/44/57/654074457.db2.gz PEHZCRJMGAHIJV-OAHLLOKOSA-N 1 0 385.555 1.805 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N(C)CCC[NH+]3CCCC3)cc2C1 ZINC000656978375 654084123 /nfs/dbraw/zinc/08/41/23/654084123.db2.gz DTEADNUYACAONQ-UHFFFAOYSA-N 1 0 385.555 1.759 20 0 GDADRO CO[C@H](CS(=O)(=O)N(CC[NH+]1CCCCCC1)C(C)C)[C@H]1CCOC1 ZINC000656987096 654087841 /nfs/dbraw/zinc/08/78/41/654087841.db2.gz CTHXKRUOYPAVMO-ZWKOTPCHSA-N 1 0 376.563 1.954 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000657035292 654105204 /nfs/dbraw/zinc/10/52/04/654105204.db2.gz WAWJPYFLSYAQFR-OAHLLOKOSA-N 1 0 388.555 1.630 20 0 GDADRO COc1ccc(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c(C)c1F ZINC000657071366 654107266 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COc1cc(Br)c(F)cc1S(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000658396523 654189919 /nfs/dbraw/zinc/18/99/19/654189919.db2.gz ZSZULSCNTKHSGG-UHFFFAOYSA-N 1 0 379.251 1.709 20 0 GDADRO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000658404515 654190420 /nfs/dbraw/zinc/19/04/20/654190420.db2.gz UAOJZJPPMLLQIN-POZPTJLLSA-N 1 0 386.901 1.786 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658469435 654194073 /nfs/dbraw/zinc/19/40/73/654194073.db2.gz CSDLIWPWZNVEIZ-LLVKDONJSA-N 1 0 386.290 1.990 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658537675 654197606 /nfs/dbraw/zinc/19/76/06/654197606.db2.gz RQOJBIPRHDICBI-UHFFFAOYSA-N 1 0 382.302 1.470 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000658675560 654203426 /nfs/dbraw/zinc/20/34/26/654203426.db2.gz GHJQVIJORSKTGN-UHFFFAOYSA-N 1 0 380.286 1.354 20 0 GDADRO [NH3+]C[C@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C1CC1 ZINC000659289277 654221059 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O=C(NC[C@@H](CO)Cc1cccc(Br)c1)NCC12CC(C1)C[NH2+]2 ZINC000659615073 654229933 /nfs/dbraw/zinc/22/99/33/654229933.db2.gz VDJJKWZYEBCKKO-CBCUQQMYSA-N 1 0 382.302 1.651 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCc3c(Br)cccc3C2)n1 ZINC000659631803 654230110 /nfs/dbraw/zinc/23/01/10/654230110.db2.gz GXZHTHMKCLMJSC-UHFFFAOYSA-N 1 0 392.257 1.671 20 0 GDADRO CN(CCc1cccc(Br)c1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659629589 654230139 /nfs/dbraw/zinc/23/01/39/654230139.db2.gz HPBYLSKPFCWNLN-UHFFFAOYSA-N 1 0 394.273 1.788 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)s1 ZINC000660153161 654241563 /nfs/dbraw/zinc/24/15/63/654241563.db2.gz DOVSLHNEVHVSQU-UHFFFAOYSA-N 1 0 385.555 1.785 20 0 GDADRO NS(=O)(=O)c1cc2c(s1)CCN(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000660573433 654254845 /nfs/dbraw/zinc/25/48/45/654254845.db2.gz XOKGGAJSMPVYJU-CHWSQXEVSA-N 1 0 384.527 1.090 20 0 GDADRO CC[N@@H+]1CCCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)[C@H](C)C1 ZINC000660787941 654256816 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Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)nc1Br ZINC000793055869 655109313 /nfs/dbraw/zinc/10/93/13/655109313.db2.gz YEYYPWCTWOYLSF-NSHDSACASA-N 1 0 381.274 1.858 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000760558840 655117487 /nfs/dbraw/zinc/11/74/87/655117487.db2.gz UVGOQFKQKJALNB-STQMWFEESA-N 1 0 388.921 1.250 20 0 GDADRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000760599382 655120201 /nfs/dbraw/zinc/12/02/01/655120201.db2.gz UJESUWHJGDCOGG-UHFFFAOYSA-N 1 0 377.388 1.728 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000793716370 655122325 /nfs/dbraw/zinc/12/23/25/655122325.db2.gz CPTUOQAKGXTSRO-HZPDHXFCSA-N 1 0 381.567 1.240 20 0 GDADRO COC(=O)c1cn([C@H]2CC[N@H+](C[C@H](O)c3ccc(Br)cc3)C2)nn1 ZINC000760889006 655128651 /nfs/dbraw/zinc/12/86/51/655128651.db2.gz UIWTWVMIYWUACB-ZFWWWQNUSA-N 1 0 395.257 1.808 20 0 GDADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000809523813 655130563 /nfs/dbraw/zinc/13/05/63/655130563.db2.gz SCUBFKPFULIYLY-PMPSAXMXSA-N 1 0 385.599 1.815 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000809524392 655130791 /nfs/dbraw/zinc/13/07/91/655130791.db2.gz ARLRKPANDOOZBC-ZJIFWQFVSA-N 1 0 385.599 1.815 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000809527024 655131729 /nfs/dbraw/zinc/13/17/29/655131729.db2.gz WGMTXNJGNPABGN-OJLVUWQFSA-N 1 0 385.599 1.671 20 0 GDADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000809529721 655132447 /nfs/dbraw/zinc/13/24/47/655132447.db2.gz PHFMQSZGMCVRNV-QLFBSQMISA-N 1 0 383.583 1.569 20 0 GDADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000809654160 655135197 /nfs/dbraw/zinc/13/51/97/655135197.db2.gz SSQLIHOPBKKYAH-UHFFFAOYSA-N 1 0 389.543 1.871 20 0 GDADRO COCCN(CC[NH+](C)C)Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000809740498 655136000 /nfs/dbraw/zinc/13/60/00/655136000.db2.gz AXGDTMMNXPBIAJ-CQSZACIVSA-N 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O=C(NCC1CC[NH2+]CC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000837303292 655177564 /nfs/dbraw/zinc/17/75/64/655177564.db2.gz FBTZZESKJFQYHY-UHFFFAOYSA-N 1 0 385.917 1.854 20 0 GDADRO C[C@@H](CNC(=O)c1c(Br)nc2n1CCCC2)C[NH+]1CCN(C)CC1 ZINC000837414905 655182082 /nfs/dbraw/zinc/18/20/82/655182082.db2.gz LVBSHYBMMFHPPM-ZDUSSCGKSA-N 1 0 398.349 1.595 20 0 GDADRO Cn1nnc(Br)c1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000810989532 655182739 /nfs/dbraw/zinc/18/27/39/655182739.db2.gz BTHPJJRQMWGXQU-ZDUSSCGKSA-N 1 0 394.273 1.074 20 0 GDADRO COCC[NH+](CCOC)C1CCN(Cn2ccc(Br)n2)CC1 ZINC000795718725 655186367 /nfs/dbraw/zinc/18/63/67/655186367.db2.gz UXBPWUKZJTVZBN-UHFFFAOYSA-N 1 0 375.311 1.662 20 0 GDADRO CC(C)C[C@H](C[NH2+]C[C@H]1CCCN1S(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000811485671 655198187 /nfs/dbraw/zinc/19/81/87/655198187.db2.gz WRTIFFBPEOLALV-HUUCEWRRSA-N 1 0 377.551 1.939 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000811711975 655203116 /nfs/dbraw/zinc/20/31/16/655203116.db2.gz COFPQCLQMHMOPD-QWHCGFSZSA-N 1 0 380.480 1.736 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000796255870 655208889 /nfs/dbraw/zinc/20/88/89/655208889.db2.gz SJKHBTSBJVETSI-OAHLLOKOSA-N 1 0 375.535 1.505 20 0 GDADRO COc1c(C)cc([C@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000796747311 655219717 /nfs/dbraw/zinc/21/97/17/655219717.db2.gz IPVYCGJSSWTYFE-AWEZNQCLSA-N 1 0 389.949 1.885 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000838686255 655223264 /nfs/dbraw/zinc/22/32/64/655223264.db2.gz KYINBARHEUCHBG-CJNGLKHVSA-N 1 0 391.343 1.908 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nn2cc(Br)cn2)CC1=O ZINC000765086004 655228863 /nfs/dbraw/zinc/22/88/63/655228863.db2.gz RHAXBVAVFQJWEQ-YPMHNXCESA-N 1 0 384.278 1.049 20 0 GDADRO CS[C@@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@H]1[NH+](C)C ZINC000765258437 655237035 /nfs/dbraw/zinc/23/70/35/655237035.db2.gz FWYPCCTVCTXJRX-UKRRQHHQSA-N 1 0 383.901 1.569 20 0 GDADRO CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000839091229 655239565 /nfs/dbraw/zinc/23/95/65/655239565.db2.gz BJFUMEPALFTTGK-CQSZACIVSA-N 1 0 375.535 1.695 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839484420 655248825 /nfs/dbraw/zinc/24/88/25/655248825.db2.gz MFPXFVGLKKPOER-UHFFFAOYSA-N 1 0 380.392 1.326 20 0 GDADRO C[C@@H](CNS(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000798226848 655258569 /nfs/dbraw/zinc/25/85/69/655258569.db2.gz WAQUNMBCHAYJLJ-AWEZNQCLSA-N 1 0 375.535 1.646 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000798228393 655259031 /nfs/dbraw/zinc/25/90/31/655259031.db2.gz KAIKPWFGDMMSMR-GFCCVEGCSA-N 1 0 396.481 1.645 20 0 GDADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000798228332 655259040 /nfs/dbraw/zinc/25/90/40/655259040.db2.gz IVMLOIKZCNOONX-JTQLQIEISA-N 1 0 388.433 1.599 20 0 GDADRO CC[C@@H](CCO)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766128796 655259817 /nfs/dbraw/zinc/25/98/17/655259817.db2.gz LNEHTYFRVBNKCB-OCCSQVGLSA-N 1 0 378.516 1.224 20 0 GDADRO O=C1NCCN(C[C@H](O)C[NH+]2CCCC2)[C@H]1c1cccc(Br)c1 ZINC000766248073 655262379 /nfs/dbraw/zinc/26/23/79/655262379.db2.gz GIMDNIOFAWQLSV-CVEARBPZSA-N 1 0 382.302 1.379 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814392827 655265216 /nfs/dbraw/zinc/26/52/16/655265216.db2.gz CXDJXCOKCCWOPU-UHFFFAOYSA-N 1 0 389.909 1.380 20 0 GDADRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766601283 655270422 /nfs/dbraw/zinc/27/04/22/655270422.db2.gz BWNGPEOWGQUGMU-SWLSCSKDSA-N 1 0 378.516 1.224 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000766799754 655276287 /nfs/dbraw/zinc/27/62/87/655276287.db2.gz NMVWNWKCJWWFDK-UHFFFAOYSA-N 1 0 375.535 1.122 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c(F)cc1C ZINC000815020491 655279043 /nfs/dbraw/zinc/27/90/43/655279043.db2.gz ATCAFQILPFRLEN-INIZCTEOSA-N 1 0 390.502 1.636 20 0 GDADRO CCN(CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000798948037 655281964 /nfs/dbraw/zinc/28/19/64/655281964.db2.gz XNAGIFARUONXKH-KRWDZBQOSA-N 1 0 377.551 1.895 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798947070 655282015 /nfs/dbraw/zinc/28/20/15/655282015.db2.gz RJFRAEGVVCLSIA-KRWDZBQOSA-N 1 0 377.551 1.895 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000798947787 655282080 /nfs/dbraw/zinc/28/20/80/655282080.db2.gz OIVJZSQNHNCVLF-WMLDXEAASA-N 1 0 375.535 1.647 20 0 GDADRO O=C(Nc1ccccc1Br)C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799130214 655285272 /nfs/dbraw/zinc/28/52/72/655285272.db2.gz BJDBWPLJIAEGNF-AWEZNQCLSA-N 1 0 394.269 1.905 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1F ZINC000767314075 655289313 /nfs/dbraw/zinc/28/93/13/655289313.db2.gz DDJVKXPNOUDBKN-UONOGXRCSA-N 1 0 376.475 1.278 20 0 GDADRO C[N@@H+]1CCC[C@@]2(CCN(C(=S)NCc3ccc(S(N)(=O)=O)cc3)C2)C1 ZINC000840755553 655296267 /nfs/dbraw/zinc/29/62/67/655296267.db2.gz ZHKFCWCCMSCPHD-QGZVFWFLSA-N 1 0 382.555 1.126 20 0 GDADRO CC[N@H+](CCNS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000799769498 655299540 /nfs/dbraw/zinc/29/95/40/655299540.db2.gz SQQNPBFRORMLPF-UHFFFAOYSA-N 1 0 375.535 1.790 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)C[NH+](C)C ZINC000815684012 655302057 /nfs/dbraw/zinc/30/20/57/655302057.db2.gz BAKQYFOUUPGOID-FORDYWAESA-N 1 0 379.404 1.566 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)C[NH+](C)C ZINC000815684014 655302136 /nfs/dbraw/zinc/30/21/36/655302136.db2.gz BAKQYFOUUPGOID-REFGNXHDSA-N 1 0 379.404 1.566 20 0 GDADRO COc1cc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cnc1Cl ZINC000767793596 655305092 /nfs/dbraw/zinc/30/50/92/655305092.db2.gz OAQUZKDYRHCROY-LBPRGKRZSA-N 1 0 377.894 1.259 20 0 GDADRO CC[NH+](CC)CCN(C(=O)CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000767868998 655308684 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C[NH+](C)[C@H](CNS(=O)(=O)c1nc[nH]c1Br)Cc1ccccc1 ZINC000866409599 655941073 /nfs/dbraw/zinc/94/10/73/655941073.db2.gz OLXBEJYOQHSUBI-LBPRGKRZSA-N 1 0 387.303 1.623 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cn(C)nc1Br ZINC000866421992 655941863 /nfs/dbraw/zinc/94/18/63/655941863.db2.gz GQQILTXEBHGPCR-NSHDSACASA-N 1 0 379.324 1.725 20 0 GDADRO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(Br)cc1F ZINC000866554890 655949362 /nfs/dbraw/zinc/94/93/62/655949362.db2.gz VFDXHCNERMYEOC-MEDUHNTESA-N 1 0 387.249 1.867 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000866710958 655955946 /nfs/dbraw/zinc/95/59/46/655955946.db2.gz YGPLEDLQUGWFRA-WDEREUQCSA-N 1 0 388.253 1.581 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)NCCN2CC[NH2+]CC2)c1 ZINC000866736977 655957527 /nfs/dbraw/zinc/95/75/27/655957527.db2.gz HCSMGFMHVFVQFV-UHFFFAOYSA-N 1 0 376.320 1.082 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1ccc(Br)cc1F ZINC000866748906 655958717 /nfs/dbraw/zinc/95/87/17/655958717.db2.gz CHQFGBIGLRNRRE-UHFFFAOYSA-N 1 0 380.283 1.606 20 0 GDADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000866752797 655959088 /nfs/dbraw/zinc/95/90/88/655959088.db2.gz WOHUUTPIJDQASR-UHFFFAOYSA-N 1 0 395.323 1.340 20 0 GDADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866771700 655961507 /nfs/dbraw/zinc/96/15/07/655961507.db2.gz IUNNZLPBRMFSOH-FZMZJTMJSA-N 1 0 377.869 1.781 20 0 GDADRO Cn1cc([C@@H]2CN(S(=O)(=O)c3cc(Cl)cnc3Cl)C[C@H]2[NH3+])cn1 ZINC000866774310 655961847 /nfs/dbraw/zinc/96/18/47/655961847.db2.gz OHARFSPPJMGEPI-WDEREUQCSA-N 1 0 376.269 1.237 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1Br ZINC000866775039 655961922 /nfs/dbraw/zinc/96/19/22/655961922.db2.gz ZTUKWPITOYLHTF-LBPRGKRZSA-N 1 0 385.287 1.429 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1C(F)(F)F ZINC000866775725 655962017 /nfs/dbraw/zinc/96/20/17/655962017.db2.gz NMUPXGSWNAIYJN-LBPRGKRZSA-N 1 0 380.436 1.839 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000866778475 655962545 /nfs/dbraw/zinc/96/25/45/655962545.db2.gz VZOJZCWYXUGHFJ-UHFFFAOYSA-N 1 0 375.288 1.711 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C(C)(C)C)n1 ZINC000866778837 655962554 /nfs/dbraw/zinc/96/25/54/655962554.db2.gz CPVYMDGIGOQRFZ-QWRGUYRKSA-N 1 0 382.452 1.865 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NCCOCCC[NH3+] ZINC000866780612 655962893 /nfs/dbraw/zinc/96/28/93/655962893.db2.gz HHPPXTOLHCAWEO-UHFFFAOYSA-N 1 0 381.292 1.243 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000866792006 655964235 /nfs/dbraw/zinc/96/42/35/655964235.db2.gz PYUYIXVHOAOIEO-PHIMTYICSA-N 1 0 389.271 1.361 20 0 GDADRO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000866796290 655964555 /nfs/dbraw/zinc/96/45/55/655964555.db2.gz BRZWMZTWUQVTIG-NSHDSACASA-N 1 0 396.481 1.739 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)nc2F)[C@@H](C)C1 ZINC000866797080 655964654 /nfs/dbraw/zinc/96/46/54/655964654.db2.gz OVGXGQKARWKQFM-STQMWFEESA-N 1 0 377.457 1.775 20 0 GDADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000866807465 655965987 /nfs/dbraw/zinc/96/59/87/655965987.db2.gz VGLVHBPEMUXYKC-RCBQFDQVSA-N 1 0 385.917 1.601 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866809564 655966107 /nfs/dbraw/zinc/96/61/07/655966107.db2.gz LBBYKKDTKUKQKE-UHFFFAOYSA-N 1 0 381.329 1.646 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1F ZINC000866822254 655967111 /nfs/dbraw/zinc/96/71/11/655967111.db2.gz APJIFGCWZAIDFF-NEPJUHHUSA-N 1 0 376.837 1.781 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1Br ZINC000866822586 655967128 /nfs/dbraw/zinc/96/71/28/655967128.db2.gz DWKKKVVMIUXJGC-GFCCVEGCSA-N 1 0 391.335 1.822 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1F ZINC000866827225 655967575 /nfs/dbraw/zinc/96/75/75/655967575.db2.gz JKQPNIIWFUCFPR-CABCVRRESA-N 1 0 391.490 1.102 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866828198 655967758 /nfs/dbraw/zinc/96/77/58/655967758.db2.gz VRCROXDQJVOYTD-CHWSQXEVSA-N 1 0 392.262 1.806 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1Br ZINC000866880994 655972974 /nfs/dbraw/zinc/97/29/74/655972974.db2.gz WZNBBTFGAZROPC-GFCCVEGCSA-N 1 0 391.335 1.679 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)C1 ZINC000866895773 655974836 /nfs/dbraw/zinc/97/48/36/655974836.db2.gz YKYDEEBDGSGCBL-JCQPUDPBSA-N 1 0 377.507 1.943 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(Br)n1 ZINC000866986510 655984527 /nfs/dbraw/zinc/98/45/27/655984527.db2.gz VJPJQWHMLANKBI-QWRGUYRKSA-N 1 0 377.308 1.287 20 0 GDADRO CN(C1CC[NH+](C)CC1)[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)N=S(C)(C)=O ZINC000867010197 655986721 /nfs/dbraw/zinc/98/67/21/655986721.db2.gz MKSGCZQHFVJHEK-HOTGVXAUSA-N 1 0 394.607 1.228 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C[C@H]1[NH+](C)C ZINC000867025766 655988654 /nfs/dbraw/zinc/98/86/54/655988654.db2.gz QMLVAHUVHGNIGL-ZIAGYGMSSA-N 1 0 393.575 1.161 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000867032687 655989492 /nfs/dbraw/zinc/98/94/92/655989492.db2.gz UOTZXDAXXYTFQL-STQMWFEESA-N 1 0 390.912 1.521 20 0 GDADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000867120027 655998132 /nfs/dbraw/zinc/99/81/32/655998132.db2.gz MSSPSAILSJVMRL-UHFFFAOYSA-N 1 0 379.404 1.902 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC(C[NH+](C)C)C2)ccc1Br ZINC000867324122 656038188 /nfs/dbraw/zinc/03/81/88/656038188.db2.gz QSYMIBNEOCZVON-UHFFFAOYSA-N 1 0 391.287 1.418 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC(C[NH+](C)C)C2)s1 ZINC000867323682 656038208 /nfs/dbraw/zinc/03/82/08/656038208.db2.gz HZOWGMPCCMXRLK-UHFFFAOYSA-N 1 0 397.316 1.479 20 0 GDADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)N=S(=O)(CC)CC)CC2)CC1 ZINC000867440051 656061507 /nfs/dbraw/zinc/06/15/07/656061507.db2.gz DYQLGMINEHSHCO-UHFFFAOYSA-N 1 0 394.607 1.231 20 0 GDADRO O=C(N1CCCC[C@H]1CNS(=O)(=O)CCC[NH+]1CCCC1)C(F)(F)F ZINC000867451030 656063491 /nfs/dbraw/zinc/06/34/91/656063491.db2.gz ZXKQABHNKRZTDP-ZDUSSCGKSA-N 1 0 385.452 1.335 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(N=S(C)(C)=O)cc2)CC1 ZINC000867483733 656068358 /nfs/dbraw/zinc/06/83/58/656068358.db2.gz IKXMTEFVYNPUMT-UHFFFAOYSA-N 1 0 389.543 1.392 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000867508765 656073240 /nfs/dbraw/zinc/07/32/40/656073240.db2.gz CWWQOJLIDRRENA-GJZGRUSLSA-N 1 0 381.567 1.850 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(Br)cn2)C1 ZINC000867532209 656079067 /nfs/dbraw/zinc/07/90/67/656079067.db2.gz HNTBNQKPWHTONS-WFASDCNBSA-N 1 0 395.301 1.403 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(Br)cn3)CC[C@@H]21 ZINC000867579270 656087642 /nfs/dbraw/zinc/08/76/42/656087642.db2.gz XVMHTHIUGNADPE-WFASDCNBSA-N 1 0 395.301 1.403 20 0 GDADRO COc1ccc(OS(=O)(=O)CCC[NH+](C)C)cc1I ZINC000867666352 656100490 /nfs/dbraw/zinc/10/04/90/656100490.db2.gz ZMOFMOSATRHKSA-UHFFFAOYSA-N 1 0 399.250 1.960 20 0 GDADRO COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NS(=O)(=O)CCC[NH+](C)C ZINC000867678098 656101258 /nfs/dbraw/zinc/10/12/58/656101258.db2.gz APPKISKARCNFFQ-INIZCTEOSA-N 1 0 376.906 1.685 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867799446 656118053 /nfs/dbraw/zinc/11/80/53/656118053.db2.gz LWFURMIPGKZIRB-CZUORRHYSA-N 1 0 394.313 1.926 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000867848113 656125287 /nfs/dbraw/zinc/12/52/87/656125287.db2.gz MLEYDPFYAKWJBW-MRXNPFEDSA-N 1 0 381.274 1.626 20 0 GDADRO C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C1CC[NH2+]CC1 ZINC000868003557 656137343 /nfs/dbraw/zinc/13/73/43/656137343.db2.gz YTMMCVAUHUWKQQ-LLVKDONJSA-N 1 0 396.285 1.679 20 0 GDADRO O=C(NCc1ncc(Br)s1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000868217586 656144471 /nfs/dbraw/zinc/14/44/71/656144471.db2.gz TVRMZVAXUCGLPX-VHSXEESVSA-N 1 0 375.292 1.568 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)ncc1Br ZINC000868268452 656147528 /nfs/dbraw/zinc/14/75/28/656147528.db2.gz HHYPZTAZMYNHQI-NSHDSACASA-N 1 0 383.290 1.985 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000868285396 656148487 /nfs/dbraw/zinc/14/84/87/656148487.db2.gz IQGWKOQAHFFNHT-MWLCHTKSSA-N 1 0 377.242 1.884 20 0 GDADRO CCOC(=O)CS[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(F)(F)F ZINC000868374421 656152583 /nfs/dbraw/zinc/15/25/83/656152583.db2.gz RNTBJRLRYJRTOU-QJPTWQEYSA-N 1 0 385.452 1.996 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](COC)c1cccc(Br)c1 ZINC000868384609 656153111 /nfs/dbraw/zinc/15/31/11/656153111.db2.gz DYXHBJNVWIOQNW-CABCVRRESA-N 1 0 398.301 1.463 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH3+])c1cccc(Br)c1 ZINC000868384715 656153139 /nfs/dbraw/zinc/15/31/39/656153139.db2.gz GLEVZBGLICIKJA-GJZGRUSLSA-N 1 0 398.301 1.593 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000868392228 656154018 /nfs/dbraw/zinc/15/40/18/656154018.db2.gz VRZOGNPMPKBHAW-YGRLFVJLSA-N 1 0 384.249 1.367 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ncc(Br)s1 ZINC000868510641 656158613 /nfs/dbraw/zinc/15/86/13/656158613.db2.gz XONNTHQTWAYWJJ-LLVKDONJSA-N 1 0 390.351 1.731 20 0 GDADRO CC(C)n1ncc(C(=O)NC[C@@H](C)C[NH+](C)C)c1I ZINC000868513020 656158780 /nfs/dbraw/zinc/15/87/80/656158780.db2.gz IWCFJUNHRLCXNR-SNVBAGLBSA-N 1 0 378.258 1.996 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)NCCS(=O)(=O)C2CCOCC2)CC1 ZINC000868674220 656164718 /nfs/dbraw/zinc/16/47/18/656164718.db2.gz KCFWPEUHPDUXIL-UHFFFAOYSA-N 1 0 375.535 1.096 20 0 GDADRO Cn1nc(I)cc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000868848512 656171566 /nfs/dbraw/zinc/17/15/66/656171566.db2.gz BHBXJZYCMHQTCD-JTQLQIEISA-N 1 0 376.242 1.486 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000869774913 656206922 /nfs/dbraw/zinc/20/69/22/656206922.db2.gz FGAQFTRYDBSFQM-JTQLQIEISA-N 1 0 385.258 1.753 20 0 GDADRO 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C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000876636911 656620311 /nfs/dbraw/zinc/62/03/11/656620311.db2.gz GMYMCTQTGAXJNQ-GBSFPIBMSA-N 1 0 380.286 1.707 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876689761 656624186 /nfs/dbraw/zinc/62/41/86/656624186.db2.gz ADHJUQQYLIIYQX-MJVIPROJSA-N 1 0 375.238 1.253 20 0 GDADRO CC(C)(C)OC(=O)N1CCCC[C@H](C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000876751794 656628051 /nfs/dbraw/zinc/62/80/51/656628051.db2.gz YEWJWDDKXVEFLW-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)cnc1F ZINC000876841739 656634498 /nfs/dbraw/zinc/63/44/98/656634498.db2.gz UWXUMJYYHLLKNB-SNVBAGLBSA-N 1 0 399.186 1.549 20 0 GDADRO Cn1nc(I)cc1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000876847563 656635025 /nfs/dbraw/zinc/63/50/25/656635025.db2.gz WTZKKTRSWPXAGM-LBPRGKRZSA-N 1 0 396.232 1.642 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1nc(Br)sc1Cl ZINC000876846365 656635044 /nfs/dbraw/zinc/63/50/44/656635044.db2.gz BKJKVVDJEKIFTG-LURJTMIESA-N 1 0 382.667 1.536 20 0 GDADRO Cn1cnnc1C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876848759 656635574 /nfs/dbraw/zinc/63/55/74/656635574.db2.gz UHMLRZBOCPLZIA-AWEZNQCLSA-N 1 0 378.274 1.984 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cc(N)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000876873900 656636441 /nfs/dbraw/zinc/63/64/41/656636441.db2.gz URJZATPJIQLXSY-CQSZACIVSA-N 1 0 387.933 1.893 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876903213 656638644 /nfs/dbraw/zinc/63/86/44/656638644.db2.gz TWHDKNDJYWFGGW-CHWSQXEVSA-N 1 0 379.404 1.245 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cc(I)nn2C)[C@@H]1CC[NH3+] ZINC000876948432 656641916 /nfs/dbraw/zinc/64/19/16/656641916.db2.gz IOXOQRFDBZCBKZ-VHSXEESVSA-N 1 0 376.242 1.614 20 0 GDADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCNC(=O)c1ccc(Br)cn1 ZINC000876959366 656642293 /nfs/dbraw/zinc/64/22/93/656642293.db2.gz RBGZVENPTWQQLK-GCLPIYDQSA-N 1 0 381.274 1.246 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000876998202 656644892 /nfs/dbraw/zinc/64/48/92/656644892.db2.gz DCOGKRORNLSFFY-MRVPVSSYSA-N 1 0 396.332 1.228 20 0 GDADRO CC(C)(C)OC(=O)N1[C@@H](C[NH2+]CC(C)(C)NS(C)(=O)=O)COC1(C)C ZINC000877008053 656645755 /nfs/dbraw/zinc/64/57/55/656645755.db2.gz DWSCNSHHWKNXCX-LBPRGKRZSA-N 1 0 379.523 1.276 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)/C=C/c1ccc(I)o1 ZINC000877026606 656647211 /nfs/dbraw/zinc/64/72/11/656647211.db2.gz CVRBUPBWTURPEL-GQCTYLIASA-N 1 0 378.210 1.592 20 0 GDADRO COC(=O)c1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)[nH]c1C ZINC000877039517 656648776 /nfs/dbraw/zinc/64/87/76/656648776.db2.gz MCUFOEGZGGEHAL-UHFFFAOYSA-N 1 0 379.429 1.464 20 0 GDADRO CCOP(=O)(CCC[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)OCC ZINC000877076438 656651662 /nfs/dbraw/zinc/65/16/62/656651662.db2.gz MQCMJGRHSVIZMH-BBRMVZONSA-N 1 0 375.406 1.953 20 0 GDADRO NS(=O)(=O)c1cccc(C[NH2+]CCOc2cccc(C(F)(F)F)n2)c1 ZINC000877129410 656655736 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PJLTYRLHTAJWHN-JBLDHEPKSA-N 1 0 375.416 1.862 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)C[C@H]1C(F)(F)F ZINC000877355834 656669005 /nfs/dbraw/zinc/66/90/05/656669005.db2.gz JVOACDUQPOMBQW-VHSXEESVSA-N 1 0 385.433 1.012 20 0 GDADRO C[NH+](C)C[C@H]1NC(=O)N([C@H]2CCN(c3ccccc3Br)C2)C1=O ZINC000924617596 656669567 /nfs/dbraw/zinc/66/95/67/656669567.db2.gz PDIRNKWQLBXJNO-WCQYABFASA-N 1 0 381.274 1.510 20 0 GDADRO CN(CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C(=O)c1ccc(Br)s1 ZINC000877377551 656672355 /nfs/dbraw/zinc/67/23/55/656672355.db2.gz PSMBWRARDVACLN-ZUZCIYMTSA-N 1 0 386.315 1.651 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924782343 656674341 /nfs/dbraw/zinc/67/43/41/656674341.db2.gz MNSPTYNODUAFDS-HNNXBMFYSA-N 1 0 388.555 1.251 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877464892 656675783 /nfs/dbraw/zinc/67/57/83/656675783.db2.gz SUCGDPQDXDJOHL-ZNMIVQPWSA-N 1 0 375.535 1.693 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(C(=O)OC)c(Br)c1 ZINC000877562684 656681039 /nfs/dbraw/zinc/68/10/39/656681039.db2.gz ZGHAMRXUFSWNNC-NSHDSACASA-N 1 0 393.303 1.653 20 0 GDADRO CN(C)S(=O)(=O)CCC(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000924891433 656685799 /nfs/dbraw/zinc/68/57/99/656685799.db2.gz DDRQEVJAAJUNML-UHFFFAOYSA-N 1 0 381.420 1.987 20 0 GDADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cc1Br ZINC000877656832 656686127 /nfs/dbraw/zinc/68/61/27/656686127.db2.gz RUCZWOGUIBHGLT-NOZJJQNGSA-N 1 0 376.272 1.901 20 0 GDADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000924939479 656687331 /nfs/dbraw/zinc/68/73/31/656687331.db2.gz SAWNUOFYCALRKF-GOEBONIOSA-N 1 0 394.313 1.913 20 0 GDADRO CC(C)(C[NH2+]Cc1nc2cc(Br)ccc2o1)CS(N)(=O)=O ZINC000877733969 656689859 /nfs/dbraw/zinc/68/98/59/656689859.db2.gz DDZNLGRYACUFKW-UHFFFAOYSA-N 1 0 376.276 1.995 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000924989443 656690564 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GDADRO C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000925433018 656711819 /nfs/dbraw/zinc/71/18/19/656711819.db2.gz VPMMMBYHKJAJQS-STQMWFEESA-N 1 0 388.281 1.743 20 0 GDADRO Cn1nnnc1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000878214478 656712268 /nfs/dbraw/zinc/71/22/68/656712268.db2.gz URGVUGVSJVZSRW-NSHDSACASA-N 1 0 394.277 1.261 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000878235839 656713970 /nfs/dbraw/zinc/71/39/70/656713970.db2.gz MIBRKNUAYGMBAC-ZIAGYGMSSA-N 1 0 385.555 1.436 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000925797860 656721148 /nfs/dbraw/zinc/72/11/48/656721148.db2.gz QBUCDMNHZHSOHN-QMTHXVAHSA-N 1 0 391.306 1.942 20 0 GDADRO COC(=O)CC[N@@H+]1CCN(C[C@H](O)c2cc(Br)no2)[C@@H](C)C1 ZINC000878373843 656721689 /nfs/dbraw/zinc/72/16/89/656721689.db2.gz OZYOTLOVSYVYKG-QWRGUYRKSA-N 1 0 376.251 1.040 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000925800017 656722289 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GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC000926283340 656743650 /nfs/dbraw/zinc/74/36/50/656743650.db2.gz JVVVPDWLDHUAQO-TZMCWYRMSA-N 1 0 382.302 1.851 20 0 GDADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926306751 656746804 /nfs/dbraw/zinc/74/68/04/656746804.db2.gz HJASYNZWLUGFSI-GTNSWQLSSA-N 1 0 388.295 1.825 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000926326585 656747939 /nfs/dbraw/zinc/74/79/39/656747939.db2.gz PWRXYAGFFLBNOC-LBPRGKRZSA-N 1 0 380.286 1.531 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCc2c(Cl)ccc(Br)c2C1 ZINC000926435548 656755408 /nfs/dbraw/zinc/75/54/08/656755408.db2.gz KISFDLSTOOHYEF-SECBINFHSA-N 1 0 388.693 1.793 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H]2C(=O)NCC2(C)C)cc1Br ZINC000926536651 656763507 /nfs/dbraw/zinc/76/35/07/656763507.db2.gz ARVJGAKBPMGWNO-DOMZBBRYSA-N 1 0 385.302 1.723 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cs1)C(N)=O ZINC000878991698 656765638 /nfs/dbraw/zinc/76/56/38/656765638.db2.gz YPWRHDOMTDCXNS-WDFAYWTNSA-N 1 0 382.555 1.783 20 0 GDADRO CCOC(=O)CC1([NH2+]C[C@@H](O)c2cc(Br)no2)CCOCC1 ZINC000878996920 656766079 /nfs/dbraw/zinc/76/60/79/656766079.db2.gz QYEWJWODDZUTID-SNVBAGLBSA-N 1 0 377.235 1.563 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC000879106651 656774895 /nfs/dbraw/zinc/77/48/95/656774895.db2.gz WXNSCZMGIFQNDE-YUTCNCBUSA-N 1 0 382.555 1.737 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N(CC[NH+](C)C)C2CCCC2)cs1)C(N)=O ZINC000879167716 656778556 /nfs/dbraw/zinc/77/85/56/656778556.db2.gz SDZUTZYMEWAEPK-LBPRGKRZSA-N 1 0 384.571 1.984 20 0 GDADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000926948937 656782417 /nfs/dbraw/zinc/78/24/17/656782417.db2.gz LNIMLRBZBCMRDG-WCQYABFASA-N 1 0 380.436 1.968 20 0 GDADRO CC(C)[NH+]1CCN(CCC(=O)N(C)Cc2ncc(Br)cn2)CC1 ZINC000926969130 656783174 /nfs/dbraw/zinc/78/31/74/656783174.db2.gz CELYDLDVVHHJEV-UHFFFAOYSA-N 1 0 384.322 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383.539 1.294 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCS[C@H](C(F)(F)F)C2)cn1 ZINC000928134000 656876637 /nfs/dbraw/zinc/87/66/37/656876637.db2.gz SKCXWPUHAJEPBA-IHRRRGAJSA-N 1 0 376.448 1.962 20 0 GDADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc(Br)cc1S(N)(=O)=O ZINC000928437148 656901222 /nfs/dbraw/zinc/90/12/22/656901222.db2.gz GYFRWZPEOHFGPM-JOYOIKCWSA-N 1 0 390.303 1.227 20 0 GDADRO C[C@H](Sc1nc(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cs1)C(N)=O ZINC000880855099 656911278 /nfs/dbraw/zinc/91/12/78/656911278.db2.gz XHHKYIXHGJAEPI-FZMZJTMJSA-N 1 0 382.555 1.785 20 0 GDADRO CCC[NH+]1CCC(N(C)C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1 ZINC000881116661 656918656 /nfs/dbraw/zinc/91/86/56/656918656.db2.gz FWLCRQKULKKAKM-UHFFFAOYSA-N 1 0 386.543 1.952 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000881269205 656924265 /nfs/dbraw/zinc/92/42/65/656924265.db2.gz OEZDNOCVMBPPQA-SNVBAGLBSA-N 1 0 383.246 1.996 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000881473020 656939380 /nfs/dbraw/zinc/93/93/80/656939380.db2.gz NOHPPZARAUVCEI-ZDUSSCGKSA-N 1 0 387.527 1.029 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)CC1 ZINC000929169867 656951202 /nfs/dbraw/zinc/95/12/02/656951202.db2.gz BNYCRKQGQJIYBR-UHFFFAOYSA-N 1 0 398.276 1.683 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000929171012 656951234 /nfs/dbraw/zinc/95/12/34/656951234.db2.gz SNOQFOVEXZYCMK-OAHLLOKOSA-N 1 0 395.301 1.718 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)CC=C(Cl)Cl)CC1 ZINC000881816145 656965414 /nfs/dbraw/zinc/96/54/14/656965414.db2.gz LCSGKCHSRGJVKZ-UHFFFAOYSA-N 1 0 379.313 1.572 20 0 GDADRO O=S(=O)(CC=C(Cl)Cl)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000881845523 656970363 /nfs/dbraw/zinc/97/03/63/656970363.db2.gz PVGMTILFBDAIKQ-UHFFFAOYSA-N 1 0 393.340 1.832 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCS1 ZINC000929535787 656971103 /nfs/dbraw/zinc/97/11/03/656971103.db2.gz GEWCCKWZRQGDFU-CABCVRRESA-N 1 0 385.599 1.865 20 0 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/nfs/dbraw/zinc/07/48/76/659074876.db2.gz FZIOCIVBWKADCU-UHFFFAOYSA-N 1 0 385.555 1.807 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CSc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000899958626 659076304 /nfs/dbraw/zinc/07/63/04/659076304.db2.gz NDNIXRMAVDVIEE-CQSZACIVSA-N 1 0 399.563 1.907 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900464229 659110328 /nfs/dbraw/zinc/11/03/28/659110328.db2.gz JGNXXMLUMIXNFZ-DYVFJYSZSA-N 1 0 398.301 1.657 20 0 GDADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000900504687 659115628 /nfs/dbraw/zinc/11/56/28/659115628.db2.gz ODMAABASHVBPCX-YOEHRIQHSA-N 1 0 398.301 1.140 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000900505791 659115744 /nfs/dbraw/zinc/11/57/44/659115744.db2.gz YQIUBCRGCRTQEB-LBPRGKRZSA-N 1 0 398.305 1.220 20 0 GDADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCc1ccc(I)s1 ZINC000900514541 659116949 /nfs/dbraw/zinc/11/69/49/659116949.db2.gz JACOGEZQBHGSEJ-TVQRCGJNSA-N 1 0 394.278 1.467 20 0 GDADRO C[C@H](c1ncc(Br)cn1)n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900572144 659122558 /nfs/dbraw/zinc/12/25/58/659122558.db2.gz MQBWPJOXDMWAPB-LLVKDONJSA-N 1 0 380.294 1.624 20 0 GDADRO [NH3+][C@@H](c1cn(C[C@@H]2C[C@@H]3COC[C@@H]3O2)nn1)c1ccc(Br)cc1 ZINC000900623463 659127793 /nfs/dbraw/zinc/12/77/93/659127793.db2.gz URNYLBPGKBCOSZ-SHPPOPEUSA-N 1 0 379.258 1.893 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000900666370 659132593 /nfs/dbraw/zinc/13/25/93/659132593.db2.gz UJRBPTRCFWBUQV-AHIWAGSCSA-N 1 0 382.302 1.599 20 0 GDADRO C[C@@H](CNC(=O)c1cc2ncc(Br)cn2n1)C[NH+]1CCN(C)CC1 ZINC000900693174 659137448 /nfs/dbraw/zinc/13/74/48/659137448.db2.gz NPTZOWQZTVSGHP-LBPRGKRZSA-N 1 0 395.305 1.105 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nc(Br)c(Br)n1 ZINC000900695499 659138182 /nfs/dbraw/zinc/13/81/82/659138182.db2.gz PGTHGJYIIGIORO-SSDOTTSWSA-N 1 0 381.072 1.014 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](O)c3cccc(Br)c3)CC2)C1 ZINC000900725611 659141441 /nfs/dbraw/zinc/14/14/41/659141441.db2.gz MMRDIPFVRSKSAS-SJORKVTESA-N 1 0 396.329 1.721 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)CSc1ccc(S(N)(=O)=O)cc1)C(C)(C)C ZINC000900736012 659142035 /nfs/dbraw/zinc/14/20/35/659142035.db2.gz VYURTGUZZBMMFL-HNNXBMFYSA-N 1 0 387.571 1.909 20 0 GDADRO C[C@H](NC(=O)c1csc(I)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000900801205 659146886 /nfs/dbraw/zinc/14/68/86/659146886.db2.gz CCFZVSIBRQHQIO-WPRPVWTQSA-N 1 0 394.282 1.112 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H](O)c1cccc(Br)c1 ZINC000901058793 659184735 /nfs/dbraw/zinc/18/47/35/659184735.db2.gz ZBKDAVZCZDATFV-JKSUJKDBSA-N 1 0 383.286 1.852 20 0 GDADRO COC(=O)CCN1CCC[C@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)C1=O ZINC000901729223 659231214 /nfs/dbraw/zinc/23/12/14/659231214.db2.gz QRCJWTQWEYDVAH-RYUDHWBXSA-N 1 0 399.289 1.104 20 0 GDADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901730354 659231311 /nfs/dbraw/zinc/23/13/11/659231311.db2.gz VUVAUCXDADVXJN-STQMWFEESA-N 1 0 381.249 1.786 20 0 GDADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)N1CCSCC1 ZINC000902795190 659279439 /nfs/dbraw/zinc/27/94/39/659279439.db2.gz CAVXDQGMHSBJII-IAGOWNOFSA-N 1 0 376.588 1.940 20 0 GDADRO CCS(=O)(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000903004889 659288616 /nfs/dbraw/zinc/28/86/16/659288616.db2.gz PFECBXDEAKOYAK-OAHLLOKOSA-N 1 0 376.906 1.483 20 0 GDADRO O=C(NCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc(Br)cn1 ZINC000903047131 659292739 /nfs/dbraw/zinc/29/27/39/659292739.db2.gz HVJXLLMHGPYGDW-UNPMEBSKSA-N 1 0 380.286 1.977 20 0 GDADRO CC[NH+]1CCN(c2ccc(NS(=O)(=O)N=S(=O)(CC)CC)cc2)CC1 ZINC000903084861 659293960 /nfs/dbraw/zinc/29/39/60/659293960.db2.gz KXDDCBWGIUTPAY-UHFFFAOYSA-N 1 0 388.559 1.993 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CCC1 ZINC000903189232 659300064 /nfs/dbraw/zinc/30/00/64/659300064.db2.gz SZAWFPFQQPCARJ-ZIAGYGMSSA-N 1 0 380.576 1.572 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000903226797 659305786 /nfs/dbraw/zinc/30/57/86/659305786.db2.gz OWFRVFKPBWOTAF-BBRMVZONSA-N 1 0 392.518 1.940 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN3CCSC[C@H]13)CCC2 ZINC000903271709 659311829 /nfs/dbraw/zinc/31/18/29/659311829.db2.gz LAHSPZIDKNMACD-FGTMMUONSA-N 1 0 381.567 1.881 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(c2ncc(I)cn2)CC1 ZINC000903476910 659315997 /nfs/dbraw/zinc/31/59/97/659315997.db2.gz NLFAZTJNWSILDJ-NEPJUHHUSA-N 1 0 387.269 1.059 20 0 GDADRO O=S(=O)(N[C@H]1CCC[NH2+]CC1)c1ccc(I)s1 ZINC000903497350 659319003 /nfs/dbraw/zinc/31/90/03/659319003.db2.gz GOFKMXSAOLOXSY-QMMMGPOBSA-N 1 0 386.280 1.773 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000903515092 659323801 /nfs/dbraw/zinc/32/38/01/659323801.db2.gz JJOUPWYXSFPRAC-KRWDZBQOSA-N 1 0 375.535 1.203 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c1F ZINC000903518005 659325652 /nfs/dbraw/zinc/32/56/52/659325652.db2.gz INCFXMVTPYXHTG-IUCAKERBSA-N 1 0 381.267 1.968 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1F ZINC000903518812 659326189 /nfs/dbraw/zinc/32/61/89/659326189.db2.gz XZLOKDPUSXQEPT-BDAKNGLRSA-N 1 0 381.267 1.955 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(C2CCCC2)n1 ZINC000903520056 659326747 /nfs/dbraw/zinc/32/67/47/659326747.db2.gz PRDBDWZXSMXWHQ-NWDGAFQWSA-N 1 0 380.436 1.978 20 0 GDADRO C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000903532488 659331644 /nfs/dbraw/zinc/33/16/44/659331644.db2.gz HSTIEWCRZBRUDH-FZMZJTMJSA-N 1 0 377.304 1.460 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903539836 659333575 /nfs/dbraw/zinc/33/35/75/659333575.db2.gz QRXQXCSLHPMGAT-KOLCDFICSA-N 1 0 391.287 1.370 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cc(Br)ccc1F ZINC000903542499 659334805 /nfs/dbraw/zinc/33/48/05/659334805.db2.gz JLLMGMPERTYOOV-UHFFFAOYSA-N 1 0 381.267 1.717 20 0 GDADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903544961 659335943 /nfs/dbraw/zinc/33/59/43/659335943.db2.gz PTRCWZZMYYFEIB-AWEZNQCLSA-N 1 0 386.901 1.980 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1cc(F)cc(Cl)c1)C2 ZINC000903551343 659338360 /nfs/dbraw/zinc/33/83/60/659338360.db2.gz FZKRDNOAJBRZRU-UAKXVISKSA-N 1 0 376.837 1.380 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903557310 659340393 /nfs/dbraw/zinc/34/03/93/659340393.db2.gz NGKOIONGUPTROM-MRXNPFEDSA-N 1 0 388.555 1.313 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(Cl)cc1Cl ZINC000903563841 659342004 /nfs/dbraw/zinc/34/20/04/659342004.db2.gz IZNJDVZYPWPQCH-VSYUYLJXSA-N 1 0 379.265 1.951 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000903564961 659342447 /nfs/dbraw/zinc/34/24/47/659342447.db2.gz AEKKABITFGDDJM-UHFFFAOYSA-N 1 0 396.738 1.804 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)/C=C\c2cccc(Br)c2)CC1 ZINC000903566393 659343514 /nfs/dbraw/zinc/34/35/14/659343514.db2.gz RWEAUTQQTKNOTO-WDZFZDKYSA-N 1 0 388.331 1.762 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000903566125 659343530 /nfs/dbraw/zinc/34/35/30/659343530.db2.gz JAOLCNCXZGJVMF-UHFFFAOYSA-N 1 0 396.738 1.804 20 0 GDADRO O=C(c1ccccc1Cl)C1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000903572155 659345010 /nfs/dbraw/zinc/34/50/10/659345010.db2.gz XGRWISKMZOWVDM-CQSZACIVSA-N 1 0 386.901 1.553 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000903574050 659346054 /nfs/dbraw/zinc/34/60/54/659346054.db2.gz SNEDDPYVNFSGGT-NSHDSACASA-N 1 0 379.404 1.950 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC[C@H]1C(F)(F)F ZINC000903577602 659348566 /nfs/dbraw/zinc/34/85/66/659348566.db2.gz OQAFQGQRYIZIKH-VXGBXAGGSA-N 1 0 380.388 1.748 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC[C@@H]1C(F)(F)F ZINC000903577601 659348661 /nfs/dbraw/zinc/34/86/61/659348661.db2.gz OQAFQGQRYIZIKH-RYUDHWBXSA-N 1 0 380.388 1.748 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)cn2)CC[C@H]1C(F)(F)F ZINC000903578089 659348857 /nfs/dbraw/zinc/34/88/57/659348857.db2.gz BJBBIPUVEDZICY-RKDXNWHRSA-N 1 0 388.209 1.744 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903580100 659351193 /nfs/dbraw/zinc/35/11/93/659351193.db2.gz RZJYLVVNTNXMJV-ZIAGYGMSSA-N 1 0 382.404 1.612 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2nc[nH]c2Br)CC[C@@H]1C(F)(F)F ZINC000903581254 659351900 /nfs/dbraw/zinc/35/19/00/659351900.db2.gz CTEWPGCZNXCFLR-WDSKDSINSA-N 1 0 377.186 1.072 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)c(Br)c1 ZINC000903585071 659353688 /nfs/dbraw/zinc/35/36/88/659353688.db2.gz XNEQJENCOALZLA-LBPRGKRZSA-N 1 0 391.287 1.594 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c1F ZINC000903593308 659357101 /nfs/dbraw/zinc/35/71/01/659357101.db2.gz YRRQFSHXUCFHEY-OAHLLOKOSA-N 1 0 376.837 1.782 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N[C@]12CCC[C@H]1C[NH2+]C2)C(F)(F)F ZINC000903609770 659361721 /nfs/dbraw/zinc/36/17/21/659361721.db2.gz OMUGAAZHTJPCEA-HZMBPMFUSA-N 1 0 377.388 1.608 20 0 GDADRO CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903755418 659379007 /nfs/dbraw/zinc/37/90/07/659379007.db2.gz GYMYADAQTNIQOI-YQQAZPJKSA-N 1 0 382.302 1.676 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000903799637 659381134 /nfs/dbraw/zinc/38/11/34/659381134.db2.gz FZLGKNNBSGKZMV-ZDUSSCGKSA-N 1 0 383.290 1.703 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)N(C)Cc1cscc1Br)C(C)C ZINC000903819068 659382181 /nfs/dbraw/zinc/38/21/81/659382181.db2.gz FCTMYSJKDULJOB-UHFFFAOYSA-N 1 0 376.320 1.925 20 0 GDADRO FC(F)(F)c1nc(Br)c2n1CCN(C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000903832959 659382989 /nfs/dbraw/zinc/38/29/89/659382989.db2.gz UJQXODNVOTWEFT-VIFPVBQESA-N 1 0 395.223 1.859 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1I ZINC000903875265 659386013 /nfs/dbraw/zinc/38/60/13/659386013.db2.gz NPFPLWNPIIDYQC-NSHDSACASA-N 1 0 389.237 1.150 20 0 GDADRO COc1ccc(Br)c(C[NH2+]CC[C@H]2CNCCS2(=O)=O)c1 ZINC000903968477 659390289 /nfs/dbraw/zinc/39/02/89/659390289.db2.gz LPLGAKXKBUARFO-ZDUSSCGKSA-N 1 0 377.304 1.324 20 0 GDADRO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903967663 659390384 /nfs/dbraw/zinc/39/03/84/659390384.db2.gz FNIPTUMQEJDETC-OAHLLOKOSA-N 1 0 382.917 1.700 20 0 GDADRO COc1ccc(Br)cc1C[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903967968 659390436 /nfs/dbraw/zinc/39/04/36/659390436.db2.gz HRPWYZCJSLFDTQ-ZDUSSCGKSA-N 1 0 377.304 1.324 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903969857 659391171 /nfs/dbraw/zinc/39/11/71/659391171.db2.gz MHQDKIBYWIMEOP-WFASDCNBSA-N 1 0 375.332 1.746 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Br)o3)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904112580 659395666 /nfs/dbraw/zinc/39/56/66/659395666.db2.gz ITEIMPVWMVMRES-NRPADANISA-N 1 0 388.243 1.267 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Br)cn3)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904106580 659395699 /nfs/dbraw/zinc/39/56/99/659395699.db2.gz YBKFWMMAZWJNSQ-PEXQALLHSA-N 1 0 399.270 1.069 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)cc1C(=O)OC ZINC000904388808 659399629 /nfs/dbraw/zinc/39/96/29/659399629.db2.gz BOGBFPCIBMZPDO-NSHDSACASA-N 1 0 386.246 1.688 20 0 GDADRO [NH3+][C@]1(CO)CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000904407276 659400016 /nfs/dbraw/zinc/40/00/16/659400016.db2.gz SCVQELBZNXDGHM-QGZVFWFLSA-N 1 0 384.318 1.571 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000904443437 659401769 /nfs/dbraw/zinc/40/17/69/659401769.db2.gz JVPRUFDETQPZDN-GFCCVEGCSA-N 1 0 375.878 1.586 20 0 GDADRO CNC(=O)c1cccc(NC(=O)N2CC[NH2+]C[C@H]2CCOC)c1Br ZINC000904473200 659401875 /nfs/dbraw/zinc/40/18/75/659401875.db2.gz PFYYZYSCALZZSG-LLVKDONJSA-N 1 0 399.289 1.651 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000904495049 659402600 /nfs/dbraw/zinc/40/26/00/659402600.db2.gz PNYYAJHKNBTDEZ-CYBMUJFWSA-N 1 0 398.305 1.800 20 0 GDADRO COCCOCCOc1ccc(NC(=O)N[C@H](C)C[NH3+])cc1Br ZINC000904545598 659403435 /nfs/dbraw/zinc/40/34/35/659403435.db2.gz IVJXOARZGMVHHH-LLVKDONJSA-N 1 0 390.278 1.960 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Br)c3C2)C1 ZINC000904991335 659415899 /nfs/dbraw/zinc/41/58/99/659415899.db2.gz UIPQBFRBZJBDFX-LLVKDONJSA-N 1 0 386.677 1.547 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905000876 659416149 /nfs/dbraw/zinc/41/61/49/659416149.db2.gz MQDQQIPIQDZCEU-CXAGYDPISA-N 1 0 380.286 1.747 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905006549 659416813 /nfs/dbraw/zinc/41/68/13/659416813.db2.gz IWBCPVFIJGFJNO-MEBBXXQBSA-N 1 0 386.315 1.809 20 0 GDADRO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)C1(O)CCOCC1 ZINC000905099126 659423676 /nfs/dbraw/zinc/42/36/76/659423676.db2.gz YOFMUWOJLSQMNI-GOEBONIOSA-N 1 0 385.302 1.520 20 0 GDADRO Cc1nc(CC[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)sc1C ZINC000905167789 659428433 /nfs/dbraw/zinc/42/84/33/659428433.db2.gz VWVZHULTJRZVLF-AWEZNQCLSA-N 1 0 389.587 1.894 20 0 GDADRO 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CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764963 659583436 /nfs/dbraw/zinc/58/34/36/659583436.db2.gz KXCDMHVIGPABKL-MRXNPFEDSA-N 1 0 385.873 1.037 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000906772365 659584445 /nfs/dbraw/zinc/58/44/45/659584445.db2.gz PJFBMMCXADDJGC-LLVKDONJSA-N 1 0 380.495 1.404 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)oc1Cl ZINC000906814104 659592701 /nfs/dbraw/zinc/59/27/01/659592701.db2.gz JXMYWWNHTMMUQV-UHFFFAOYSA-N 1 0 385.829 1.626 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)nc2I)C1 ZINC000906846682 659599471 /nfs/dbraw/zinc/59/94/71/659599471.db2.gz JEQRCCMLSBDVCY-JTQLQIEISA-N 1 0 376.242 1.439 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC1 ZINC000906854345 659601954 /nfs/dbraw/zinc/60/19/54/659601954.db2.gz AVIFCKBKXRWYQZ-UHFFFAOYSA-N 1 0 384.267 1.761 20 0 GDADRO CC(C)n1cc(Br)c(C(=O)NCCN2CCC([NH+](C)C)CC2)n1 ZINC000906907411 659615552 /nfs/dbraw/zinc/61/55/52/659615552.db2.gz QASBVRFSKIUFSU-UHFFFAOYSA-N 1 0 386.338 1.982 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cn(C)nc1I ZINC000906940518 659623360 /nfs/dbraw/zinc/62/33/60/659623360.db2.gz ADXIQYXUASOGDD-JTQLQIEISA-N 1 0 394.257 1.111 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000907736775 659819085 /nfs/dbraw/zinc/81/90/85/659819085.db2.gz IIATWNYPDCVXHM-YSVLISHTSA-N 1 0 385.302 1.171 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)C(F)(F)c1ncccc1Br ZINC000908117678 659872013 /nfs/dbraw/zinc/87/20/13/659872013.db2.gz JULPMYBAAFKKER-LLVKDONJSA-N 1 0 392.244 1.899 20 0 GDADRO CN(C(=O)CSc1ccc(S(N)(=O)=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000908157577 659877142 /nfs/dbraw/zinc/87/71/42/659877142.db2.gz VDOMMVXNWWIDCL-PBWFPOADSA-N 1 0 383.539 1.510 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cccnc1-n1cc(Br)cn1 ZINC000908202770 659881891 /nfs/dbraw/zinc/88/18/91/659881891.db2.gz KDIDMBWSBOISIQ-ZDUSSCGKSA-N 1 0 394.273 1.216 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000908360423 659901231 /nfs/dbraw/zinc/90/12/31/659901231.db2.gz CYCOCLZJYFXVNG-GOEBONIOSA-N 1 0 389.265 1.585 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000908605054 659926654 /nfs/dbraw/zinc/92/66/54/659926654.db2.gz DHUDZJGJCNGIOF-UHFFFAOYSA-N 1 0 385.306 1.557 20 0 GDADRO Cn1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)c(I)n1 ZINC000909432239 659947807 /nfs/dbraw/zinc/94/78/07/659947807.db2.gz UFOCOYNTCYFHGO-UHFFFAOYSA-N 1 0 376.242 1.629 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)NC[C@@H](O)c1ccccc1Br ZINC000909444342 659948303 /nfs/dbraw/zinc/94/83/03/659948303.db2.gz YHORPRQUKZNWOT-OAHLLOKOSA-N 1 0 381.274 1.671 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000910723191 659981692 /nfs/dbraw/zinc/98/16/92/659981692.db2.gz XKGQFELAKZWIGC-QAPCUYQASA-N 1 0 381.567 1.850 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000910950357 659989122 /nfs/dbraw/zinc/98/91/22/659989122.db2.gz OSRBZQPXDLHNNW-SUMWQHHRSA-N 1 0 382.917 1.424 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1cc(F)c(Cl)cc1Cl ZINC000910963103 659989353 /nfs/dbraw/zinc/98/93/53/659989353.db2.gz QAFUMWPVOIEDPA-FVMDXXJSSA-N 1 0 392.258 1.622 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000910972061 659989695 /nfs/dbraw/zinc/98/96/95/659989695.db2.gz OUYPJBCJGIJHHS-DFHBCGBQSA-N 1 0 394.313 1.836 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000910973478 659989823 /nfs/dbraw/zinc/98/98/23/659989823.db2.gz UVVFOOZMIJIJMR-VNHYZAJKSA-N 1 0 396.329 1.940 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+])c1ccc(Br)cn1 ZINC000910976647 659989974 /nfs/dbraw/zinc/98/99/74/659989974.db2.gz NEERAGRHQNTACO-MMPTUQATSA-N 1 0 381.274 1.361 20 0 GDADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000911042148 659992188 /nfs/dbraw/zinc/99/21/88/659992188.db2.gz IKXIJDKWFMWMBH-SNVBAGLBSA-N 1 0 388.693 1.916 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CC1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911056218 659992794 /nfs/dbraw/zinc/99/27/94/659992794.db2.gz TZMNTYPHJRHIAD-RRFJBIMHSA-N 1 0 392.297 1.606 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911158435 659996919 /nfs/dbraw/zinc/99/69/19/659996919.db2.gz ZQSRQRXZMCJKPP-SJCJKPOMSA-N 1 0 396.285 1.414 20 0 GDADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000911182393 659997689 /nfs/dbraw/zinc/99/76/89/659997689.db2.gz CGOTUMAYKKGQMT-QLFBSQMISA-N 1 0 385.599 1.706 20 0 GDADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000911182391 659997713 /nfs/dbraw/zinc/99/77/13/659997713.db2.gz CGOTUMAYKKGQMT-ILXRZTDVSA-N 1 0 385.599 1.706 20 0 GDADRO CSCc1cccc(CNC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000911243398 659999709 /nfs/dbraw/zinc/99/97/09/659999709.db2.gz PANHKEUJZXJLEQ-CHWSQXEVSA-N 1 0 375.416 1.514 20 0 GDADRO CCc1cnc(CCNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)s1 ZINC000911254223 660000231 /nfs/dbraw/zinc/00/02/31/660000231.db2.gz FSMZGOVXEZZWCQ-QWRGUYRKSA-N 1 0 378.420 1.102 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NCCc2ccc(Br)cc2F)C1 ZINC000911254587 660000406 /nfs/dbraw/zinc/00/04/06/660000406.db2.gz HOLVIWHXZJYUFT-GXFFZTMASA-N 1 0 386.265 1.491 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCCc2ccc(Br)cc2F)C[C@H]1[NH3+] ZINC000911255500 660000434 /nfs/dbraw/zinc/00/04/34/660000434.db2.gz OJRLTKUWBSQALH-CYBMUJFWSA-N 1 0 386.265 1.443 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911256487 660000597 /nfs/dbraw/zinc/00/05/97/660000597.db2.gz UIZDVIFNMRYGPE-IINYFYTJSA-N 1 0 398.301 1.831 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC000911282375 660001765 /nfs/dbraw/zinc/00/17/65/660001765.db2.gz PMIZZVFOQAWANB-UHFFFAOYSA-N 1 0 384.249 1.341 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCc2cc(Br)c(F)cc2C1)C1CC1 ZINC000911296504 660002208 /nfs/dbraw/zinc/00/22/08/660002208.db2.gz IVASBYVWLRVWFH-AWEZNQCLSA-N 1 0 384.249 1.326 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC000911301866 660002400 /nfs/dbraw/zinc/00/24/00/660002400.db2.gz FCWJDAPUNGWIJN-ZUZCIYMTSA-N 1 0 398.276 1.587 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000911302147 660002403 /nfs/dbraw/zinc/00/24/03/660002403.db2.gz GIBHKSPCHYLEDZ-IUODEOHRSA-N 1 0 394.313 1.899 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000911306990 660002950 /nfs/dbraw/zinc/00/29/50/660002950.db2.gz JKGLZRCOGPLHKK-ABAIWWIYSA-N 1 0 382.302 1.530 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000911311839 660003259 /nfs/dbraw/zinc/00/32/59/660003259.db2.gz SZMSNAWBHQNCPE-TZMCWYRMSA-N 1 0 382.302 1.660 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000911318084 660003425 /nfs/dbraw/zinc/00/34/25/660003425.db2.gz XMRRIYFVUXPBKQ-JOYOIKCWSA-N 1 0 388.693 1.962 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911429202 660007513 /nfs/dbraw/zinc/00/75/13/660007513.db2.gz RUMXNHSMCNXASK-OKILXGFUSA-N 1 0 380.286 1.379 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000911430411 660007690 /nfs/dbraw/zinc/00/76/90/660007690.db2.gz ZZHZPKBOSDNLLC-SFHVURJKSA-N 1 0 394.313 1.628 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)C1 ZINC000911489487 660008709 /nfs/dbraw/zinc/00/87/09/660008709.db2.gz NPIHJMBPQULPGC-GXFFZTMASA-N 1 0 398.276 1.717 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000911488965 660008744 /nfs/dbraw/zinc/00/87/44/660008744.db2.gz NBCAMABWQIGYRM-DOMZBBRYSA-N 1 0 394.313 1.886 20 0 GDADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506022 660009150 /nfs/dbraw/zinc/00/91/50/660009150.db2.gz JTNURQBVBFBOCY-WCQYABFASA-N 1 0 380.286 1.761 20 0 GDADRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000911542121 660010064 /nfs/dbraw/zinc/01/00/64/660010064.db2.gz KSVADUZTKAQLAT-MXYBEHONSA-N 1 0 393.285 1.517 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N(Cc2csc(Br)c2)C2CC2)C1 ZINC000911564391 660010908 /nfs/dbraw/zinc/01/09/08/660010908.db2.gz XXKQCDNJKLPZHY-HOMQSWHASA-N 1 0 386.315 1.855 20 0 GDADRO [NH3+]CCn1cc(Br)cc(C(=O)Nc2ccc3c(c2)CCN3)c1=O ZINC000911717696 660017488 /nfs/dbraw/zinc/01/74/88/660017488.db2.gz DTUNIXIWLDTXRG-UHFFFAOYSA-N 1 0 377.242 1.790 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)[C@H](N)c1ccccc1I ZINC000911763544 660018065 /nfs/dbraw/zinc/01/80/65/660018065.db2.gz ZHZRNFGBHZCALP-CYBMUJFWSA-N 1 0 375.254 1.795 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)C(F)(F)c1cccc(Br)c1 ZINC000911775382 660018279 /nfs/dbraw/zinc/01/82/79/660018279.db2.gz SGKXQDALVASONX-UHFFFAOYSA-N 1 0 376.245 1.905 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CCO1 ZINC000911880532 660020066 /nfs/dbraw/zinc/02/00/66/660020066.db2.gz MOLNAAHXQDANBL-MFKMUULPSA-N 1 0 399.314 1.944 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2Br)CCO1 ZINC000911882782 660020172 /nfs/dbraw/zinc/02/01/72/660020172.db2.gz WOGUWOJGOFKCGS-HZMBPMFUSA-N 1 0 380.246 1.218 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H](C)c2ccc(I)cc2)CCO1 ZINC000911882375 660020199 /nfs/dbraw/zinc/02/01/99/660020199.db2.gz JJKASEVYIGSNAV-COPLHBTASA-N 1 0 388.249 1.969 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H]2c3cccc(Br)c3NC2=O)CCO1 ZINC000911884487 660020288 /nfs/dbraw/zinc/02/02/88/660020288.db2.gz QMNVVPZNWNNEBO-XHVZSJERSA-N 1 0 382.258 1.450 20 0 GDADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000911937622 660021835 /nfs/dbraw/zinc/02/18/35/660021835.db2.gz XYRWFICKWGQPMC-UHFFFAOYSA-N 1 0 399.285 1.749 20 0 GDADRO C[NH2+]CCCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000912039224 660025017 /nfs/dbraw/zinc/02/50/17/660025017.db2.gz ARMSOIYZCYJVQI-UHFFFAOYSA-N 1 0 379.935 1.624 20 0 GDADRO O=C(c1cccnc1-n1cc(Br)cn1)N1CC([NH+]2CCCC2)C1 ZINC000912322612 660032883 /nfs/dbraw/zinc/03/28/83/660032883.db2.gz SRATUYZNUDFTFE-UHFFFAOYSA-N 1 0 376.258 1.950 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)Nc1ncc(-c2ccccc2)s1 ZINC000912381122 660034526 /nfs/dbraw/zinc/03/45/26/660034526.db2.gz HKVJPGTZSBEFRB-UMVBOHGHSA-N 1 0 377.491 1.771 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)NCc1ccc(Br)s1 ZINC000912496027 660039911 /nfs/dbraw/zinc/03/99/11/660039911.db2.gz RSIPKRVJBYXBHX-FBIMIBRVSA-N 1 0 393.328 1.150 20 0 GDADRO CN(CC[N@H+](C)CCO)C(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C ZINC000912607917 660044768 /nfs/dbraw/zinc/04/47/68/660044768.db2.gz ODZRHXCISJHVPL-CQSZACIVSA-N 1 0 375.535 1.112 20 0 GDADRO CN(CC[N@H+](C)CCO)C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000912610759 660044982 /nfs/dbraw/zinc/04/49/82/660044982.db2.gz LBWWZXTZADVYES-UHFFFAOYSA-N 1 0 383.905 1.270 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC([NH+]2CCC2)CC1 ZINC000912879546 660057380 /nfs/dbraw/zinc/05/73/80/660057380.db2.gz GSXSRTLCRLGSMU-UHFFFAOYSA-N 1 0 377.919 1.377 20 0 GDADRO O=C(c1ccc(-n2cc(Br)cn2)nn1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915696 660059551 /nfs/dbraw/zinc/05/95/51/660059551.db2.gz PTDJLOTXOGZYNH-GFCCVEGCSA-N 1 0 377.246 1.345 20 0 GDADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C1 ZINC000913336058 660076991 /nfs/dbraw/zinc/07/69/91/660076991.db2.gz CRARFSPGZGVWER-NXHRZFHOSA-N 1 0 397.313 1.930 20 0 GDADRO CNc1cc(I)ccc1C(=O)N1CCN(C)[C@@H](CO)C1 ZINC000913541835 660085623 /nfs/dbraw/zinc/08/56/23/660085623.db2.gz VXLPJFIOFFAQOR-LLVKDONJSA-N 1 0 389.237 1.081 20 0 GDADRO CC(=O)N[C@H](CC(=O)NC12CC[NH+](CC1)C2)c1ccc(Br)cc1 ZINC000913625545 660090160 /nfs/dbraw/zinc/09/01/60/660090160.db2.gz UGEVABHMSRLKLU-OAHLLOKOSA-N 1 0 380.286 1.981 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NC12CC[NH+](CC1)C2 ZINC000913625392 660090183 /nfs/dbraw/zinc/09/01/83/660090183.db2.gz NLERSJJRGTTZHS-UHFFFAOYSA-N 1 0 378.281 1.236 20 0 GDADRO Cc1c(C(=O)NC23CC[NH+](CC2)C3)nnn1-c1cccc(Br)c1 ZINC000913629341 660090323 /nfs/dbraw/zinc/09/03/23/660090323.db2.gz XOGHDLHMRGMCHE-UHFFFAOYSA-N 1 0 376.258 1.916 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000913676947 660091983 /nfs/dbraw/zinc/09/19/83/660091983.db2.gz SYHFFKIQUFZBPV-UHFFFAOYSA-N 1 0 397.273 1.560 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)[C@@H](O)c3cccc(Br)c3)CC2)CC1 ZINC000913760112 660095819 /nfs/dbraw/zinc/09/58/19/660095819.db2.gz GEIJMTNDJSXBPU-KRWDZBQOSA-N 1 0 396.329 1.721 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000913764171 660096096 /nfs/dbraw/zinc/09/60/96/660096096.db2.gz FUYABVBKXQSCCR-LBPRGKRZSA-N 1 0 393.285 1.941 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC000913974692 660108653 /nfs/dbraw/zinc/10/86/53/660108653.db2.gz WHTXIVBMFUWDBO-OCCSQVGLSA-N 1 0 388.559 1.670 20 0 GDADRO CC[N@H+](CCNS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000914042635 660112355 /nfs/dbraw/zinc/11/23/55/660112355.db2.gz ADSIRCWCJVDHAL-UHFFFAOYSA-N 1 0 375.535 1.359 20 0 GDADRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000914066318 660113648 /nfs/dbraw/zinc/11/36/48/660113648.db2.gz SNUJQQKWUOFMGU-CQSZACIVSA-N 1 0 375.535 1.168 20 0 GDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)CCO1 ZINC000914123286 660117822 /nfs/dbraw/zinc/11/78/22/660117822.db2.gz NKAQOEASBKWFHD-GFCCVEGCSA-N 1 0 395.294 1.680 20 0 GDADRO CN(CCCC[NH+](C)C)S(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000914225678 660129083 /nfs/dbraw/zinc/12/90/83/660129083.db2.gz RRUCJRMGGQCDCV-UHFFFAOYSA-N 1 0 377.551 1.559 20 0 GDADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000914407586 660147303 /nfs/dbraw/zinc/14/73/03/660147303.db2.gz QBNPTECIPQLFQK-AWEZNQCLSA-N 1 0 377.551 1.605 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000915269025 660166336 /nfs/dbraw/zinc/16/63/36/660166336.db2.gz PGADZFBHSLNYCV-UHFFFAOYSA-N 1 0 378.292 1.167 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](O)COCC(C)C ZINC000140113721 677676496 /nfs/dbraw/zinc/67/64/96/677676496.db2.gz VGDFUXCHHLHFBW-KBPBESRZSA-N 1 0 393.937 1.328 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000380809003 677677124 /nfs/dbraw/zinc/67/71/24/677677124.db2.gz RHDFHDCQJHYICS-RHSMWYFYSA-N 1 0 378.535 1.815 20 0 GDADRO Cn1ncc(C(=O)NCC2(C)CC[NH+](C)CC2)c1I ZINC000381672349 677677152 /nfs/dbraw/zinc/67/71/52/677677152.db2.gz IAXMVMUEGRYJSZ-UHFFFAOYSA-N 1 0 376.242 1.486 20 0 GDADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000389752156 677677716 /nfs/dbraw/zinc/67/77/16/677677716.db2.gz MFEKMMUORLSIQM-ZFWWWQNUSA-N 1 0 375.535 1.646 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nc(C(F)(F)F)ns2)C1 ZINC001055034624 677679631 /nfs/dbraw/zinc/67/96/31/677679631.db2.gz YOMLFARIQSEJFH-VLEAKVRGSA-N 1 0 375.420 1.735 20 0 GDADRO O=C1CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)CC2(CC[NH2+]CC2)N1 ZINC001164392218 718809295 /nfs/dbraw/zinc/80/92/95/718809295.db2.gz ZORNGRNKCXEXJM-UHFFFAOYSA-N 1 0 381.814 1.887 20 0 GDADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390775 718825655 /nfs/dbraw/zinc/82/56/55/718825655.db2.gz QSWZERFBQKLDFW-NWDGAFQWSA-N 1 0 376.791 1.939 20 0 GDADRO CCOC(=O)c1sc2nc(C)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1C ZINC001164407288 718838994 /nfs/dbraw/zinc/83/89/94/718838994.db2.gz UWWBSZWYPYPYMG-CYBMUJFWSA-N 1 0 375.498 1.579 20 0 GDADRO COc1ccc(-c2ccc(N3CCN4CC[NH2+]C[C@H]4C3)nn2)c(OC)c1OC ZINC001164399834 718842215 /nfs/dbraw/zinc/84/22/15/718842215.db2.gz HNDCBGPMFLJHSA-AWEZNQCLSA-N 1 0 385.468 1.263 20 0 GDADRO COc1ccc2nc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)nc(Cl)c2c1 ZINC001164409621 718853731 /nfs/dbraw/zinc/85/37/31/718853731.db2.gz VZCVRUYRVUBUSV-MGPLVRAMSA-N 1 0 384.814 1.855 20 0 GDADRO c1ccc(CN2CCc3c(ncnc3N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)C2)cc1 ZINC001164404278 718862466 /nfs/dbraw/zinc/86/24/66/718862466.db2.gz PDUXNHAJEFUVEE-WIYYLYMNSA-N 1 0 379.508 1.850 20 0 GDADRO O=C1NCCN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)C12C[NH2+]C2 ZINC001164413219 718879336 /nfs/dbraw/zinc/87/93/36/718879336.db2.gz DTLMQTBOFRYPBZ-UHFFFAOYSA-N 1 0 379.798 1.620 20 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O=C(c1ncccn1)N1CC2(C1)CCC[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001571298257 946212407 /nfs/dbraw/zinc/21/24/07/946212407.db2.gz LTCLMIANOQULSE-UHFFFAOYSA-N 1 0 390.451 1.395 20 0 GDADRO CC(C)(O)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571298480 946218354 /nfs/dbraw/zinc/21/83/54/946218354.db2.gz PBYABEXAYAIROG-AWEZNQCLSA-N 1 0 390.463 1.638 20 0 GDADRO CCOC1CC(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001571298899 946232190 /nfs/dbraw/zinc/23/21/90/946232190.db2.gz GGNYDAUGGQEYAC-UHFFFAOYSA-N 1 0 390.513 1.824 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001571299114 946241762 /nfs/dbraw/zinc/24/17/62/946241762.db2.gz UMYPGWMPLZHGPP-QGZVFWFLSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H]1COCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571299316 946244944 /nfs/dbraw/zinc/24/49/44/946244944.db2.gz KLHRTLADISXJBC-DOMZBBRYSA-N 1 0 390.513 1.681 20 0 GDADRO C[N@H+](CC(=O)N1CC[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1)C1CCC1 ZINC001571299730 946260132 /nfs/dbraw/zinc/26/01/32/946260132.db2.gz OYYSVSFPHIAORJ-GFCCVEGCSA-N 1 0 390.879 1.412 20 0 GDADRO C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571300184 946276239 /nfs/dbraw/zinc/27/62/39/946276239.db2.gz WIYDPKDAGBWOCP-SWLSCSKDSA-N 1 0 390.513 1.681 20 0 GDADRO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@H]3Cc4ccccc4O3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571303209 946329794 /nfs/dbraw/zinc/32/97/94/946329794.db2.gz JUNDHZQKLDYAIK-QWQRMKEZSA-N 1 0 391.435 1.055 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000823211051 946344484 /nfs/dbraw/zinc/34/44/84/946344484.db2.gz LCXUXWDDLWAIEY-QGZVFWFLSA-N 1 0 399.499 1.905 20 0 GDADRO CN(C(=O)c1csc(=O)[nH]1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571305676 946371858 /nfs/dbraw/zinc/37/18/58/946371858.db2.gz JBYQOUGIUGUNRZ-UHFFFAOYSA-N 1 0 391.482 1.483 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cccnc1 ZINC001571305942 946382777 /nfs/dbraw/zinc/38/27/77/946382777.db2.gz DZGHNWZVSPZLAV-YJBOKZPZSA-N 1 0 391.479 1.974 20 0 GDADRO CC[C@@H](F)C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CCO2 ZINC001571306143 946387466 /nfs/dbraw/zinc/38/74/66/946387466.db2.gz HOSJEUZOIXGJCQ-CYBMUJFWSA-N 1 0 391.451 1.250 20 0 GDADRO O=C(CCc1ccncc1)N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571306349 946397234 /nfs/dbraw/zinc/39/72/34/946397234.db2.gz TXVGJIRMVIEJCC-UHFFFAOYSA-N 1 0 391.479 1.975 20 0 GDADRO Cc1cncc(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571307179 946417915 /nfs/dbraw/zinc/41/79/15/946417915.db2.gz ZDJFVANKOUPOAY-LJQANCHMSA-N 1 0 391.479 1.893 20 0 GDADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCCO1)[C@@H]1CC1(F)F ZINC001571307216 946420659 /nfs/dbraw/zinc/42/06/59/946420659.db2.gz ABGDIJFRAKVOOL-ZFWWWQNUSA-N 1 0 392.410 1.229 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@]2(NC(=O)C(F)F)CCC[C@@H]12 ZINC001571307917 946427367 /nfs/dbraw/zinc/42/73/67/946427367.db2.gz JYKYODUNGDENGT-KDOFPFPSSA-N 1 0 392.410 1.754 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001571308883 946437643 /nfs/dbraw/zinc/43/76/43/946437643.db2.gz UISSUKRFGSNGFV-IHRRRGAJSA-N 1 0 392.410 1.467 20 0 GDADRO CCc1ccnc(C(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)c1 ZINC001571312668 946498977 /nfs/dbraw/zinc/49/89/77/946498977.db2.gz AEDFCDDEGMJVKF-UHFFFAOYSA-N 1 0 392.467 1.866 20 0 GDADRO Cc1nc[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571312789 946502565 /nfs/dbraw/zinc/50/25/65/946502565.db2.gz DCAFHYGLQBMVAX-NXHRZFHOSA-N 1 0 392.467 1.362 20 0 GDADRO CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)CCc2cccnc2)CC1 ZINC001571313535 946526099 /nfs/dbraw/zinc/52/60/99/946526099.db2.gz REFYUANAXJLMDJ-UHFFFAOYSA-N 1 0 392.467 1.717 20 0 GDADRO CN(C)c1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)ccn1 ZINC001571313646 946528899 /nfs/dbraw/zinc/52/88/99/946528899.db2.gz SGCPZFJRTKOZMR-QGZVFWFLSA-N 1 0 392.467 1.332 20 0 GDADRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823994890 946534605 /nfs/dbraw/zinc/53/46/05/946534605.db2.gz RIAJHEYDWYOCMT-MAUKXSAKSA-N 1 0 397.483 1.210 20 0 GDADRO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000823995006 946538783 /nfs/dbraw/zinc/53/87/83/946538783.db2.gz WVRQIMZVFAARGX-OAHLLOKOSA-N 1 0 394.483 1.615 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)[C@H]2C)cnn1 ZINC001571315592 946555578 /nfs/dbraw/zinc/55/55/78/946555578.db2.gz LYDFXRCRUWPQBY-KSSFIOAISA-N 1 0 392.467 1.748 20 0 GDADRO Cc1c(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)cnn1C ZINC001571315873 946560510 /nfs/dbraw/zinc/56/05/10/946560510.db2.gz QGSIARPIWGKION-FUHWJXTLSA-N 1 0 392.467 1.255 20 0 GDADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)c(C)nn1 ZINC001571316165 946568220 /nfs/dbraw/zinc/56/82/20/946568220.db2.gz VGNDOGYGWHNGSV-UHFFFAOYSA-N 1 0 392.467 1.668 20 0 GDADRO Cc1cc(C)nc(C(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571316164 946568317 /nfs/dbraw/zinc/56/83/17/946568317.db2.gz VGMFWPBLGOFFMC-OAHLLOKOSA-N 1 0 392.467 1.660 20 0 GDADRO Cn1nc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cc1C1CC1 ZINC001571316581 946582527 /nfs/dbraw/zinc/58/25/27/946582527.db2.gz HCEQXHHPXKOLTM-HNNXBMFYSA-N 1 0 392.467 1.482 20 0 GDADRO Cc1nccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571316609 946582733 /nfs/dbraw/zinc/58/27/33/946582733.db2.gz HUACPYSGAUOREJ-MRXNPFEDSA-N 1 0 392.467 1.702 20 0 GDADRO O=C(CCc1cncnc1)N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571316675 946583994 /nfs/dbraw/zinc/58/39/94/946583994.db2.gz JOUSIVAAQQYOGI-UHFFFAOYSA-N 1 0 392.467 1.370 20 0 GDADRO Cc1ccncc1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571316795 946586545 /nfs/dbraw/zinc/58/65/45/946586545.db2.gz MTWVNNLGNFGDJI-QZTJIDSGSA-N 1 0 392.467 1.777 20 0 GDADRO Cc1cnc(C(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1C ZINC001571316745 946587362 /nfs/dbraw/zinc/58/73/62/946587362.db2.gz LJNZYEUVPIUHFH-OAHLLOKOSA-N 1 0 392.467 1.660 20 0 GDADRO O=C([C@H]1CCCc2n[nH]cc21)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571316869 946589326 /nfs/dbraw/zinc/58/93/26/946589326.db2.gz ORKJINXPCFQHAR-HOCLYGCPSA-N 1 0 392.467 1.400 20 0 GDADRO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)c(C)n1 ZINC001571317018 946595067 /nfs/dbraw/zinc/59/50/67/946595067.db2.gz RYSLTDXALWPLGD-KZULUSFZSA-N 1 0 392.467 1.524 20 0 GDADRO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)c1C1CC1 ZINC001571317125 946601058 /nfs/dbraw/zinc/60/10/58/946601058.db2.gz VVDVXRQWDHILMS-OAHLLOKOSA-N 1 0 392.467 1.482 20 0 GDADRO CC(C)(O)C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824173026 946609703 /nfs/dbraw/zinc/60/97/03/946609703.db2.gz VNYNKGNDCOQRLY-SFHVURJKSA-N 1 0 397.479 1.880 20 0 GDADRO O=C(c1ccnnc1)N1CCCCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317464 946611081 /nfs/dbraw/zinc/61/10/81/946611081.db2.gz JENZXIGYXVVGCQ-GOSISDBHSA-N 1 0 392.467 1.831 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000824305467 946649380 /nfs/dbraw/zinc/64/93/80/946649380.db2.gz QTCYCUMLKPBORG-FUHWJXTLSA-N 1 0 383.500 1.825 20 0 GDADRO Brc1cc(N2CC([NH2+]C3CCOCC3)C2)ccc1-c1nn[nH]n1 ZINC001573280650 946665733 /nfs/dbraw/zinc/66/57/33/946665733.db2.gz VEKOOKDNYKBLMW-UHFFFAOYSA-N 1 0 379.262 1.586 20 0 GDADRO C[C@H](CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[S@](C)=O ZINC000824400859 946683556 /nfs/dbraw/zinc/68/35/56/946683556.db2.gz LVCHFNZYEJEZOC-PTFIGZPYSA-N 1 0 376.530 1.578 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000824412604 946693391 /nfs/dbraw/zinc/69/33/91/946693391.db2.gz BQJNDJKFUNBIBV-ZDUSSCGKSA-N 1 0 387.469 1.061 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824412576 946693704 /nfs/dbraw/zinc/69/37/04/946693704.db2.gz BEWOXFZRHUCWGK-CQSZACIVSA-N 1 0 386.481 1.666 20 0 GDADRO C[C@H](CN1CCOCC1)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824420511 946700988 /nfs/dbraw/zinc/70/09/88/946700988.db2.gz LQYLKZCJJOLWOH-MRXNPFEDSA-N 1 0 385.516 1.141 20 0 GDADRO CC(=O)N[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573536368 946734508 /nfs/dbraw/zinc/73/45/08/946734508.db2.gz UPFLJOIVZQVPSH-SUMWQHHRSA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573537664 946755251 /nfs/dbraw/zinc/75/52/51/946755251.db2.gz IQTINJKBESTZQR-DYVFJYSZSA-N 1 0 387.488 1.012 20 0 GDADRO CCC1(CO)CC[NH+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825171553 947109762 /nfs/dbraw/zinc/10/97/62/947109762.db2.gz RNBSAQMOBCSOHW-QGZVFWFLSA-N 1 0 384.484 1.847 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001573585366 947255293 /nfs/dbraw/zinc/25/52/93/947255293.db2.gz DTBKDSWWFDYVHS-LSDHHAIUSA-N 1 0 386.504 1.785 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573585867 947271760 /nfs/dbraw/zinc/27/17/60/947271760.db2.gz JADHCCHPSQFFGO-NEPJUHHUSA-N 1 0 388.501 1.402 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C1CCC1 ZINC001573592959 947355535 /nfs/dbraw/zinc/35/55/35/947355535.db2.gz OTMFQEYPJNYOIJ-GXTWGEPZSA-N 1 0 392.529 1.616 20 0 GDADRO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573592896 947356299 /nfs/dbraw/zinc/35/62/99/947356299.db2.gz GLQBOESIGIDWIE-YJBOKZPZSA-N 1 0 379.468 1.962 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573594739 947405289 /nfs/dbraw/zinc/40/52/89/947405289.db2.gz RMXJGMXTNSXQMS-RHSMWYFYSA-N 1 0 380.456 1.357 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC001573595171 947417499 /nfs/dbraw/zinc/41/74/99/947417499.db2.gz FZEBHBZEGQLYEV-KSSFIOAISA-N 1 0 386.500 1.602 20 0 GDADRO C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573599008 947449340 /nfs/dbraw/zinc/44/93/40/947449340.db2.gz UCWCJHHXBLBZFQ-HNNXBMFYSA-N 1 0 382.472 1.605 20 0 GDADRO CC(C)N(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001573603419 947487831 /nfs/dbraw/zinc/48/78/31/947487831.db2.gz GMZVTXJAAGHSRW-PBHICJAKSA-N 1 0 387.488 1.750 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)C(C)(F)F ZINC001573613475 947563621 /nfs/dbraw/zinc/56/36/21/947563621.db2.gz AYZTVLKGDHCVEL-GXFFZTMASA-N 1 0 379.415 1.624 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)n1cccc1 ZINC001573616516 947622922 /nfs/dbraw/zinc/62/29/22/947622922.db2.gz WWAPCMYXBKINPK-XJKSGUPXSA-N 1 0 380.456 1.395 20 0 GDADRO C[C@H](C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573617353 947634873 /nfs/dbraw/zinc/63/48/73/947634873.db2.gz OWRMLESMKYPCEX-SNVBAGLBSA-N 1 0 383.378 1.675 20 0 GDADRO C[C@H](C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573617898 947642801 /nfs/dbraw/zinc/64/28/01/947642801.db2.gz QGBNZLHSXRKLRL-AUUYWEPGSA-N 1 0 380.456 1.397 20 0 GDADRO C/C(=C\C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573362433 947703949 /nfs/dbraw/zinc/70/39/49/947703949.db2.gz KMAGFXRDPZAGFO-IDKBZEPQSA-N 1 0 382.468 1.540 20 0 GDADRO CC(=O)CCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573362998 947707463 /nfs/dbraw/zinc/70/74/63/947707463.db2.gz AJQCYAVXIIHQAL-LBPRGKRZSA-N 1 0 376.436 1.702 20 0 GDADRO C[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@H]1CCCO1 ZINC001573627123 947717980 /nfs/dbraw/zinc/71/79/80/947717980.db2.gz ZCAPIWRFSDAVFK-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258944 947745877 /nfs/dbraw/zinc/74/58/77/947745877.db2.gz BSCCCAGROBZHTH-HNNXBMFYSA-N 1 0 394.483 1.965 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573369806 947776409 /nfs/dbraw/zinc/77/64/09/947776409.db2.gz XATFBILOPGGIJJ-PXAZEXFGSA-N 1 0 388.447 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](CCNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573369818 947776977 /nfs/dbraw/zinc/77/69/77/947776977.db2.gz XHIDWWVSRXPRAK-OAHLLOKOSA-N 1 0 385.472 1.402 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001573629276 947778078 /nfs/dbraw/zinc/77/80/78/947778078.db2.gz NEIUYNMJQFCING-VLIAUNLRSA-N 1 0 384.484 1.356 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573372844 947783518 /nfs/dbraw/zinc/78/35/18/947783518.db2.gz DRSFYUUKPHUMLN-OAHLLOKOSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573372962 947785931 /nfs/dbraw/zinc/78/59/31/947785931.db2.gz GOKIJRPYUVQFQP-HNNXBMFYSA-N 1 0 388.447 1.846 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573631805 947804910 /nfs/dbraw/zinc/80/49/10/947804910.db2.gz WZFXMAKHGDETCN-CABCVRRESA-N 1 0 380.456 1.397 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573632032 947806216 /nfs/dbraw/zinc/80/62/16/947806216.db2.gz YCXUPXSSAYRGOV-HOCLYGCPSA-N 1 0 380.456 1.405 20 0 GDADRO CC(=O)CCCC(=O)NCC1=CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573380981 947866648 /nfs/dbraw/zinc/86/66/48/947866648.db2.gz MGXGXDNZABOFLZ-UHFFFAOYSA-N 1 0 382.468 1.874 20 0 GDADRO CC(=O)CCCC(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCC1 ZINC001573380992 947869484 /nfs/dbraw/zinc/86/94/84/947869484.db2.gz MMOPVPQIESCMCY-UHFFFAOYSA-N 1 0 388.447 1.894 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)(F)F ZINC001573645776 947869726 /nfs/dbraw/zinc/86/97/26/947869726.db2.gz AYKREOCGCQAQHY-SKDRFNHKSA-N 1 0 386.353 1.895 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573381734 947878936 /nfs/dbraw/zinc/87/89/36/947878936.db2.gz YJZNPIODWFLCGI-QGZVFWFLSA-N 1 0 384.484 1.954 20 0 GDADRO Cc1onc(CC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1-c1nn[nH]n1 ZINC000826344275 948003949 /nfs/dbraw/zinc/00/39/49/948003949.db2.gz CECZBHHMKHSXQU-ZFWWWQNUSA-N 1 0 387.488 1.819 20 0 GDADRO C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573664077 948046727 /nfs/dbraw/zinc/04/67/27/948046727.db2.gz RUGGVKPQCBYTDB-PNESKVBLSA-N 1 0 386.485 1.370 20 0 GDADRO Cc1onc(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000826347092 948049422 /nfs/dbraw/zinc/04/94/22/948049422.db2.gz DZVDVNVVJRNHKD-MRXNPFEDSA-N 1 0 381.440 1.659 20 0 GDADRO Cc1onc(CC(=O)NCC2CC[NH+](CCC(C)C)CC2)c1-c1nn[nH]n1 ZINC000826347364 948053664 /nfs/dbraw/zinc/05/36/64/948053664.db2.gz ORQMSUSJZHTYBA-UHFFFAOYSA-N 1 0 375.477 1.580 20 0 GDADRO Cc1onc(CC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1-c1nn[nH]n1 ZINC000826347719 948057317 /nfs/dbraw/zinc/05/73/17/948057317.db2.gz BPCLBMVEUMMZIW-UHFFFAOYSA-N 1 0 399.455 1.353 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001573672735 948110126 /nfs/dbraw/zinc/11/01/26/948110126.db2.gz IUGCYKQFLNUTMQ-OCCSQVGLSA-N 1 0 383.481 1.817 20 0 GDADRO C[C@@H](C(=O)NC1CN(Cc2ccccc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573680448 948180039 /nfs/dbraw/zinc/18/00/39/948180039.db2.gz QBIRQMADHSWGJK-HNNXBMFYSA-N 1 0 383.500 1.432 20 0 GDADRO CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573432633 948191531 /nfs/dbraw/zinc/19/15/31/948191531.db2.gz HKOIWQBFZZAVOV-JSGCOSHPSA-N 1 0 386.353 1.895 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573690247 948222785 /nfs/dbraw/zinc/22/27/85/948222785.db2.gz BWGRIOWLQDCRKL-FZMZJTMJSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573690246 948223596 /nfs/dbraw/zinc/22/35/96/948223596.db2.gz BWGRIOWLQDCRKL-BXUZGUMPSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573690814 948230559 /nfs/dbraw/zinc/23/05/59/948230559.db2.gz FTHZMUCPUYMUDD-BXUZGUMPSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC001573691072 948233983 /nfs/dbraw/zinc/23/39/83/948233983.db2.gz HIIOCDBLDLBGOH-AAEUAGOBSA-N 1 0 378.502 1.321 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826435794 948289646 /nfs/dbraw/zinc/28/96/46/948289646.db2.gz XSNDBXDHYNYKRE-RDTXWAMCSA-N 1 0 397.483 1.434 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccc1 ZINC001573695323 948305039 /nfs/dbraw/zinc/30/50/39/948305039.db2.gz GLVKKSYGRJANRU-AXUOBQJMSA-N 1 0 391.479 1.723 20 0 GDADRO C[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573696482 948326635 /nfs/dbraw/zinc/32/66/35/948326635.db2.gz RCGQYUTZDVCPPT-MXWWQKGMSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573704383 948371522 /nfs/dbraw/zinc/37/15/22/948371522.db2.gz RJYUPPFKWVQRLT-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO O=C1[C@@H](N2CC[NH+](C3CCC3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477060 948385342 /nfs/dbraw/zinc/38/53/42/948385342.db2.gz UZMHHSDVPZBRGR-SFHVURJKSA-N 1 0 381.484 1.532 20 0 GDADRO C[C@H](C(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573706392 948418981 /nfs/dbraw/zinc/41/89/81/948418981.db2.gz IYBNQOVNCLHDTD-XGACYXMMSA-N 1 0 380.456 1.166 20 0 GDADRO OC[C@H](CC(F)(F)F)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826507362 948426956 /nfs/dbraw/zinc/42/69/56/948426956.db2.gz NGOQSWGMTQQKDA-HNNXBMFYSA-N 1 0 384.406 1.734 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573707781 948439054 /nfs/dbraw/zinc/43/90/54/948439054.db2.gz QJXUVVUTAJNNDX-HZPDHXFCSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573707912 948440920 /nfs/dbraw/zinc/44/09/20/948440920.db2.gz QHYNDYIXGJIBOB-SNVBAGLBSA-N 1 0 383.378 1.580 20 0 GDADRO c1nc2n(n1)C[C@H]([NH2+]C1CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826526877 948464454 /nfs/dbraw/zinc/46/44/54/948464454.db2.gz QFBNPBKHQLSBKE-QGZVFWFLSA-N 1 0 379.472 1.027 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573714020 948469502 /nfs/dbraw/zinc/46/95/02/948469502.db2.gz CQLSQMZAFMMJOT-WBMJQRKESA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[C@H]1CCCO1 ZINC001573720922 948535912 /nfs/dbraw/zinc/53/59/12/948535912.db2.gz SXQGZTYNQMWYSI-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573729519 948569363 /nfs/dbraw/zinc/56/93/63/948569363.db2.gz UKAXCCYEFMMSRE-SOUVJXGZSA-N 1 0 380.456 1.443 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C)n1cccc1 ZINC001573740138 948628964 /nfs/dbraw/zinc/62/89/64/948628964.db2.gz FKVUUCXEKAQEQY-RVKKMQEKSA-N 1 0 379.468 1.866 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573740451 948634248 /nfs/dbraw/zinc/63/42/48/948634248.db2.gz PMDHABJSPTYSMK-NEPJUHHUSA-N 1 0 386.435 1.137 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1C)n1cccn1 ZINC001573740976 948646578 /nfs/dbraw/zinc/64/65/78/948646578.db2.gz RLAOULTXRAQTPT-JKIFEVAISA-N 1 0 380.456 1.261 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H](C)c1cccnc1 ZINC001573741032 948648831 /nfs/dbraw/zinc/64/88/31/948648831.db2.gz XCVWECJSCXUQFJ-OLZOCXBDSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573753605 948719031 /nfs/dbraw/zinc/71/90/31/948719031.db2.gz VUNHJULFQARMCN-BPUTZDHNSA-N 1 0 384.488 1.585 20 0 GDADRO CC(C)[C@H](F)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574075671 948748000 /nfs/dbraw/zinc/74/80/00/948748000.db2.gz YQRYQCRAPRBDMU-LPHOPBHVSA-N 1 0 390.463 1.304 20 0 GDADRO CC(F)(F)C1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001575223337 948764915 /nfs/dbraw/zinc/76/49/15/948764915.db2.gz NZXULRNLWPWRFP-CYBMUJFWSA-N 1 0 376.411 1.993 20 0 GDADRO CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001574080030 948781419 /nfs/dbraw/zinc/78/14/19/948781419.db2.gz NMNZNAAVUJUNEK-LQKXBSAESA-N 1 0 376.411 1.546 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574917035 948800170 /nfs/dbraw/zinc/80/01/70/948800170.db2.gz PJIIDCUXVBBERM-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO CC(F)(F)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001575226274 948815432 /nfs/dbraw/zinc/81/54/32/948815432.db2.gz KRECCRJHVBBUTJ-UHFFFAOYSA-N 1 0 376.411 1.946 20 0 GDADRO CC(C)[C@@H](F)C(=O)N[C@@H](C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574081098 948815591 /nfs/dbraw/zinc/81/55/91/948815591.db2.gz PQZSPHSNJHKXTR-BLLLJJGKSA-N 1 0 375.452 1.977 20 0 GDADRO C[C@@H](CNC(=O)CCCn1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574917805 948826775 /nfs/dbraw/zinc/82/67/75/948826775.db2.gz BVQNLQOKJLKHAO-ZDUSSCGKSA-N 1 0 386.435 1.277 20 0 GDADRO C[C@@H](CNC(=O)CCCn1cccc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574918158 948837183 /nfs/dbraw/zinc/83/71/83/948837183.db2.gz GLUJSXRUKPNZBR-AWEZNQCLSA-N 1 0 385.447 1.882 20 0 GDADRO C[C@H](CNC(=O)CCc1cncs1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920236 948890344 /nfs/dbraw/zinc/89/03/44/948890344.db2.gz GOHGGZSMISYMGK-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](CNC(=O)CCc1cscn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574920257 948893926 /nfs/dbraw/zinc/89/39/26/948893926.db2.gz HAYCQVZMKUNMHQ-NSHDSACASA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCO1 ZINC001574088327 948919034 /nfs/dbraw/zinc/91/90/34/948919034.db2.gz AWTZSRRHZQKUKF-VMUDFCTBSA-N 1 0 385.472 1.194 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433181 948950666 /nfs/dbraw/zinc/95/06/66/948950666.db2.gz KJQGDDNUABKZHL-LBPRGKRZSA-N 1 0 383.460 1.161 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001574433377 948951847 /nfs/dbraw/zinc/95/18/47/948951847.db2.gz WTGYCGVJICWLMC-HALDLXJZSA-N 1 0 391.439 1.040 20 0 GDADRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC001574089614 948962689 /nfs/dbraw/zinc/96/26/89/948962689.db2.gz GBDGEUNKFLTJGS-QZTJIDSGSA-N 1 0 383.500 2.000 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573772744 948965545 /nfs/dbraw/zinc/96/55/45/948965545.db2.gz DBJIZIJIGBQLOF-CQSZACIVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001574688779 948970934 /nfs/dbraw/zinc/97/09/34/948970934.db2.gz ZCLFTLVBUNTNEO-GFCCVEGCSA-N 1 0 392.483 1.685 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575241203 948973903 /nfs/dbraw/zinc/97/39/03/948973903.db2.gz CPEVXZSCRWYGKG-GHMZBOCLSA-N 1 0 385.394 1.630 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575241211 948976084 /nfs/dbraw/zinc/97/60/84/948976084.db2.gz CQQJPERHGNBEDK-ZYHUDNBSSA-N 1 0 385.394 1.630 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573773119 948976152 /nfs/dbraw/zinc/97/61/52/948976152.db2.gz HJPZONNOXHBYSM-CQSZACIVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575241650 948979113 /nfs/dbraw/zinc/97/91/13/948979113.db2.gz DXFSJVBXVLYNQR-PWSUYJOCSA-N 1 0 385.394 1.630 20 0 GDADRO CC(C)[C@H](C(=O)N[C@H](C)CCNc1nccnc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574689153 948980753 /nfs/dbraw/zinc/98/07/53/948980753.db2.gz DYCKAULYYASULJ-UKRRQHHQSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575246969 949038619 /nfs/dbraw/zinc/03/86/19/949038619.db2.gz HLOXAZOAMSVWIT-STQMWFEESA-N 1 0 387.488 1.012 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573775301 949040245 /nfs/dbraw/zinc/04/02/45/949040245.db2.gz VZGJGPVCZHOJNV-CQSZACIVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574693121 949046700 /nfs/dbraw/zinc/04/67/00/949046700.db2.gz AOCBHSQSRJBROS-AWEZNQCLSA-N 1 0 387.492 1.230 20 0 GDADRO C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574928243 949054412 /nfs/dbraw/zinc/05/44/12/949054412.db2.gz NKZMEONDGBLYBX-CYBMUJFWSA-N 1 0 387.488 1.013 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1cccc(F)c1-c1nn[nH]n1)[NH+](C)C ZINC001574694603 949082889 /nfs/dbraw/zinc/08/28/89/949082889.db2.gz SLXGHFYBADWSFN-WBMJQRKESA-N 1 0 377.468 1.851 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)n1cccc1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575249380 949094954 /nfs/dbraw/zinc/09/49/54/949094954.db2.gz BEJVCLCCGCJWLL-CABCVRRESA-N 1 0 379.468 1.866 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574929552 949097749 /nfs/dbraw/zinc/09/77/49/949097749.db2.gz GIGHIFVZGYCKKP-ZDUSSCGKSA-N 1 0 390.463 1.949 20 0 GDADRO C[C@@H](NC(=O)[C@@]1(F)CCOC1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575251312 949135600 /nfs/dbraw/zinc/13/56/00/949135600.db2.gz ANXOXCOVDGFNAN-ADLMAVQZSA-N 1 0 392.410 1.071 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574933994 949146005 /nfs/dbraw/zinc/14/60/05/949146005.db2.gz AIHZUOVQUBCTKA-CYBMUJFWSA-N 1 0 384.415 1.679 20 0 GDADRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001574095545 949152428 /nfs/dbraw/zinc/15/24/28/949152428.db2.gz YXRDNFCOLKYJCA-CABCVRRESA-N 1 0 391.501 1.145 20 0 GDADRO CC(C)c1ocnc1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574447363 949157676 /nfs/dbraw/zinc/15/76/76/949157676.db2.gz NOFCWNGTPYUMPG-UHFFFAOYSA-N 1 0 381.440 1.840 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573787209 949170336 /nfs/dbraw/zinc/17/03/36/949170336.db2.gz PMWNKKPQXAORNX-GASCZTMLSA-N 1 0 377.452 1.721 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCC1 ZINC001573787382 949178230 /nfs/dbraw/zinc/17/82/30/949178230.db2.gz VVYKXZINTUYBEB-OKILXGFUSA-N 1 0 384.488 1.585 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)n1cccn1 ZINC001574698275 949181736 /nfs/dbraw/zinc/18/17/36/949181736.db2.gz IPWOIOQOKLQSFD-QWHCGFSZSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](c1cnccn1)[N@H+](C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575515419 949188018 /nfs/dbraw/zinc/18/80/18/949188018.db2.gz IPECWHBHDARUCY-GFCCVEGCSA-N 1 0 381.444 1.282 20 0 GDADRO C[C@H](c1cnccn1)[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575516997 949221802 /nfs/dbraw/zinc/22/18/02/949221802.db2.gz SNVMNXUGVMNVLF-OLZOCXBDSA-N 1 0 381.444 1.140 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001575255346 949225540 /nfs/dbraw/zinc/22/55/40/949225540.db2.gz ZGBXFRIHTIQRKO-QWHCGFSZSA-N 1 0 387.492 1.226 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCCCC1 ZINC001574699085 949227807 /nfs/dbraw/zinc/22/78/07/949227807.db2.gz SGXPASJORYHGEC-UONOGXRCSA-N 1 0 387.492 1.180 20 0 GDADRO CC(C)CC(=O)N1CCC[C@@H]([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574106140 949270491 /nfs/dbraw/zinc/27/04/91/949270491.db2.gz FNQYRMLHRMIGKU-GOSISDBHSA-N 1 0 386.500 1.698 20 0 GDADRO C[C@H](CN(C)C(=O)C1(c2ccccn2)CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574701811 949271133 /nfs/dbraw/zinc/27/11/33/949271133.db2.gz DXJDDNWUTRNIJF-OAHLLOKOSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(C)CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574702096 949272154 /nfs/dbraw/zinc/27/21/54/949272154.db2.gz GNUISAOTTHBGDV-SGTLLEGYSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574702782 949294980 /nfs/dbraw/zinc/29/49/80/949294980.db2.gz LQQNMNAFZLWQLU-DJJJIMSYSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574109026 949310679 /nfs/dbraw/zinc/31/06/79/949310679.db2.gz UPFZASMTYSRLQA-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575259207 949323274 /nfs/dbraw/zinc/32/32/74/949323274.db2.gz NUEXOVQKQYYJMI-STQMWFEESA-N 1 0 385.472 1.196 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574942174 949338586 /nfs/dbraw/zinc/33/85/86/949338586.db2.gz XCFQDTPKWPCNSS-NSHDSACASA-N 1 0 387.394 1.724 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCCOC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575262732 949376970 /nfs/dbraw/zinc/37/69/70/949376970.db2.gz BTGFNJAYFONBNI-GXTWGEPZSA-N 1 0 388.447 1.369 20 0 GDADRO CC(C)CC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCOCC1 ZINC001574114849 949416585 /nfs/dbraw/zinc/41/65/85/949416585.db2.gz WHMKZMPSTHDUAP-UHFFFAOYSA-N 1 0 390.463 1.807 20 0 GDADRO CC(C)n1cccc1C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574465133 949429145 /nfs/dbraw/zinc/42/91/45/949429145.db2.gz PGZIRZMPEJQNGT-CQSZACIVSA-N 1 0 380.456 1.640 20 0 GDADRO CC(C)n1cnc(C(=O)NCC=CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001574465412 949432451 /nfs/dbraw/zinc/43/24/51/949432451.db2.gz XSSKEDGGWYCMPQ-ONEGZZNKSA-N 1 0 380.456 1.720 20 0 GDADRO CC(C)n1cnc(C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001574465403 949434288 /nfs/dbraw/zinc/43/42/88/949434288.db2.gz XNEBJDOOHQYJNX-ZDUSSCGKSA-N 1 0 381.444 1.178 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574467973 949446060 /nfs/dbraw/zinc/44/60/60/949446060.db2.gz BODOYSRUSPKJSM-UHFFFAOYSA-N 1 0 382.472 1.848 20 0 GDADRO CC(C)c1nccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574947543 949447480 /nfs/dbraw/zinc/44/74/80/949447480.db2.gz BXXGCKDGNUBEHK-CQSZACIVSA-N 1 0 382.472 1.481 20 0 GDADRO CC(C)n1nccc1C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574468040 949454721 /nfs/dbraw/zinc/45/47/21/949454721.db2.gz FYIXYRARWCODQA-UHFFFAOYSA-N 1 0 381.444 1.178 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCC1(F)F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574707235 949465364 /nfs/dbraw/zinc/46/53/64/949465364.db2.gz OEYIBIVKRVIXFQ-QMTHXVAHSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001574468954 949470168 /nfs/dbraw/zinc/47/01/68/949470168.db2.gz WEILUZKXEVSKCC-TXEJJXNPSA-N 1 0 386.485 1.756 20 0 GDADRO CC(C)CC(=O)NC[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCO1 ZINC001574118939 949491347 /nfs/dbraw/zinc/49/13/47/949491347.db2.gz GWDJODTTYJBNNB-OAHLLOKOSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@]1(C(=O)N2CCC([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575537522 949498095 /nfs/dbraw/zinc/49/80/95/949498095.db2.gz WMFPXJXQHFCRKM-IBGZPJMESA-N 1 0 388.447 1.513 20 0 GDADRO 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ZINC001575548133 949659820 /nfs/dbraw/zinc/65/98/20/949659820.db2.gz QURQSADJKITXNE-KRWDZBQOSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575552705 949683889 /nfs/dbraw/zinc/68/38/89/949683889.db2.gz IJKGRFLIDZAOQI-YVEFUNNKSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574716374 949687848 /nfs/dbraw/zinc/68/78/48/949687848.db2.gz NSDNOTHVYXBEIM-DZGCQCFKSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](NC(=O)CCc1cnccn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575276102 949704250 /nfs/dbraw/zinc/70/42/50/949704250.db2.gz GLQYRVRYCIQNJK-CQSZACIVSA-N 1 0 392.467 1.226 20 0 GDADRO C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001574478429 949707585 /nfs/dbraw/zinc/70/75/85/949707585.db2.gz ZDZLKKVIPVZSGC-QAPCUYQASA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001574478807 949722033 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QVZCTTSGXOLJMS-ZFWWWQNUSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@]1(C(=O)N[C@H]2CC23CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC3)CCOC1 ZINC001575559353 949753887 /nfs/dbraw/zinc/75/38/87/949753887.db2.gz BHFURIHZSKRENJ-YJBOKZPZSA-N 1 0 383.456 1.163 20 0 GDADRO C[C@@H](NC(=O)CCc1c[nH]cn1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575277916 949757941 /nfs/dbraw/zinc/75/79/41/949757941.db2.gz SMEYXSNCIXUROC-CYBMUJFWSA-N 1 0 380.456 1.159 20 0 GDADRO C[C@@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C2CC2)CCOC1 ZINC001575559617 949759422 /nfs/dbraw/zinc/75/94/22/949759422.db2.gz WUZLFCAARUTFLQ-QFBILLFUSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@]1(C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)CCCOC1 ZINC001575559679 949763341 /nfs/dbraw/zinc/76/33/41/949763341.db2.gz XVDJDKKLPSLNES-YLJYHZDGSA-N 1 0 384.484 1.668 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC1(F)F ZINC001573820288 949763746 /nfs/dbraw/zinc/76/37/46/949763746.db2.gz XCJFMQNMDGUIEW-YPMHNXCESA-N 1 0 379.415 1.672 20 0 GDADRO CC(C)C[C@H](C)C[NH+]1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001574138129 949783950 /nfs/dbraw/zinc/78/39/50/949783950.db2.gz AYKIISXPASYFIM-HNNXBMFYSA-N 1 0 388.520 1.224 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882726 949788290 /nfs/dbraw/zinc/78/82/90/949788290.db2.gz NOLQVRTVPDMUPP-OCCSQVGLSA-N 1 0 386.485 1.294 20 0 GDADRO C[C@@H](CNC(=O)c1c(F)ccc(F)c1F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574965327 949794292 /nfs/dbraw/zinc/79/42/92/949794292.db2.gz FUEKTNBGSXDZOP-VIFPVBQESA-N 1 0 391.357 1.934 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C[NH2+]Cc1ccns1 ZINC001576172346 949802784 /nfs/dbraw/zinc/80/27/84/949802784.db2.gz WKRFUSBJUDIZFQ-ABAIWWIYSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ncccc1-c1nn[nH]n1 ZINC001574721476 949819131 /nfs/dbraw/zinc/81/91/31/949819131.db2.gz MBHRACUDEVBQFZ-OAHLLOKOSA-N 1 0 386.504 1.787 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001574483777 949842175 /nfs/dbraw/zinc/84/21/75/949842175.db2.gz LYUMERVIRBVSTJ-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccn(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574722983 949852500 /nfs/dbraw/zinc/85/25/00/949852500.db2.gz ZCBCVGJNMFCYHV-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574484195 949866424 /nfs/dbraw/zinc/86/64/24/949866424.db2.gz FGCMCRWGMYHXIT-CABCVRRESA-N 1 0 380.456 1.539 20 0 GDADRO CC(C)C[C@H](C)C[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574142354 949866885 /nfs/dbraw/zinc/86/68/85/949866885.db2.gz XUYACPJLQSQYFH-IFXJQAMLSA-N 1 0 389.504 1.698 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1cscn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574725044 949889628 /nfs/dbraw/zinc/88/96/28/949889628.db2.gz NYTJBAOXDBJTIQ-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575284165 949898661 /nfs/dbraw/zinc/89/86/61/949898661.db2.gz HYJSWGRMVFBYNA-HUUCEWRRSA-N 1 0 386.504 1.323 20 0 GDADRO C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574725643 949904225 /nfs/dbraw/zinc/90/42/25/949904225.db2.gz UQNKKTNSOCYQBC-NSHDSACASA-N 1 0 376.440 1.144 20 0 GDADRO C[C@@H](NC(=O)CN1CCc2ccccc21)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575284840 949923903 /nfs/dbraw/zinc/92/39/03/949923903.db2.gz KLIOIKRHGBXKLT-UONOGXRCSA-N 1 0 392.467 1.051 20 0 GDADRO C[C@@H](NC(=O)COc1ccccc1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575285012 949927403 /nfs/dbraw/zinc/92/74/03/949927403.db2.gz XRACQYRLBZEGND-OAHLLOKOSA-N 1 0 392.463 1.882 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ncc[nH]2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576180188 949943573 /nfs/dbraw/zinc/94/35/73/949943573.db2.gz NKXOUIGKAFEZNH-BBRMVZONSA-N 1 0 380.456 1.620 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001575285313 949944524 /nfs/dbraw/zinc/94/45/24/949944524.db2.gz MTLOHAMHSUFQAX-RKDXNWHRSA-N 1 0 386.913 1.622 20 0 GDADRO C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)CC2)CCOC1 ZINC001575571183 949954129 /nfs/dbraw/zinc/95/41/29/949954129.db2.gz YGMIFSYGILUHDP-IBGZPJMESA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576181331 949997570 /nfs/dbraw/zinc/99/75/70/949997570.db2.gz TUTAASNBEKMWTM-VXGBXAGGSA-N 1 0 391.426 1.625 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574150310 950026643 /nfs/dbraw/zinc/02/66/43/950026643.db2.gz BESWKDKYXNYCKF-GJZGRUSLSA-N 1 0 375.477 1.498 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ccnnc1 ZINC001574150652 950034869 /nfs/dbraw/zinc/03/48/69/950034869.db2.gz CXEDOTCQTBOVOQ-QGZVFWFLSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574150624 950036100 /nfs/dbraw/zinc/03/61/00/950036100.db2.gz CQDIPZPQFODADI-GJZGRUSLSA-N 1 0 389.504 1.744 20 0 GDADRO CC(C)C[C@H](C[NH2+][C@H](C)c1cnccn1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574150849 950039949 /nfs/dbraw/zinc/03/99/49/950039949.db2.gz FJYVZGNRFUHHID-TZMCWYRMSA-N 1 0 383.460 1.480 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)C[C@@H](O)c1ccccc1F ZINC001574975669 950045286 /nfs/dbraw/zinc/04/52/86/950045286.db2.gz YDMBQUYDEHVISG-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccon1 ZINC001574150901 950045623 /nfs/dbraw/zinc/04/56/23/950045623.db2.gz GNPPJZACVBVRRA-ZDUSSCGKSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@@]1(C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)CCC2)CCOC1 ZINC001575575239 950047397 /nfs/dbraw/zinc/04/73/97/950047397.db2.gz GQFLMDBTEPCNPX-GOSISDBHSA-N 1 0 388.447 1.561 20 0 GDADRO 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ZINC001576184660 950139011 /nfs/dbraw/zinc/13/90/11/950139011.db2.gz WWHJOVXRCSJJAI-WCQYABFASA-N 1 0 391.426 1.625 20 0 GDADRO C[C@H](CC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001574493950 950144876 /nfs/dbraw/zinc/14/48/76/950144876.db2.gz VPDJWBJGRKRJHH-CQSZACIVSA-N 1 0 380.456 1.800 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576184978 950150349 /nfs/dbraw/zinc/15/03/49/950150349.db2.gz XZCFYILRJJBUPM-XJKSGUPXSA-N 1 0 381.440 1.885 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC001574494266 950159093 /nfs/dbraw/zinc/15/90/93/950159093.db2.gz JNCOMBZCMIGJSA-DTWKUNHWSA-N 1 0 392.407 1.083 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001574738302 950165905 /nfs/dbraw/zinc/16/59/05/950165905.db2.gz DSOCDXUJMTXRIF-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CCCOC1 ZINC001575584782 950179407 /nfs/dbraw/zinc/17/94/07/950179407.db2.gz SHWRDERQAWAQBF-UZLBHIALSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cccc2c1CCOC2 ZINC001574982766 950183279 /nfs/dbraw/zinc/18/32/79/950183279.db2.gz GPIIJFJWQSDRGY-LBPRGKRZSA-N 1 0 381.440 1.176 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cnco2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576191119 950185568 /nfs/dbraw/zinc/18/55/68/950185568.db2.gz DPIHLNZVRLOGKO-CZUORRHYSA-N 1 0 381.440 1.743 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC001575585185 950191558 /nfs/dbraw/zinc/19/15/58/950191558.db2.gz XCUZWLUZHXADOQ-YLJYHZDGSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC001574495681 950207701 /nfs/dbraw/zinc/20/77/01/950207701.db2.gz UPCSPLFDPLAYAJ-GWCFXTLKSA-N 1 0 386.378 1.022 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccncn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576191736 950209968 /nfs/dbraw/zinc/20/99/68/950209968.db2.gz ICAWKKROIAQUBS-PBHICJAKSA-N 1 0 392.467 1.545 20 0 GDADRO CC1(C(=O)NC[C@@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)CCCO2)CC1 ZINC001575586025 950211681 /nfs/dbraw/zinc/21/16/81/950211681.db2.gz FZJZOOPYZMURGJ-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC001574496468 950218392 /nfs/dbraw/zinc/21/83/92/950218392.db2.gz WNLZXJGHWUAJLL-CZUORRHYSA-N 1 0 384.440 1.220 20 0 GDADRO C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)CC(C)(C)C ZINC001574497333 950225453 /nfs/dbraw/zinc/22/54/53/950225453.db2.gz ZIJRREXANNYHFU-RHSMWYFYSA-N 1 0 388.516 1.896 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cc1cccnc1 ZINC001574157667 950250555 /nfs/dbraw/zinc/25/05/55/950250555.db2.gz GFVJCUGJVPGZEV-HNNXBMFYSA-N 1 0 380.456 1.264 20 0 GDADRO C[C@@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)n1cccc1 ZINC001574497981 950251137 /nfs/dbraw/zinc/25/11/37/950251137.db2.gz HSLORUUTOJOSSZ-AWEZNQCLSA-N 1 0 380.456 1.587 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C[NH2+]Cc1nccs1 ZINC001576192726 950262332 /nfs/dbraw/zinc/26/23/32/950262332.db2.gz QINVINKEMOERAM-WCQYABFASA-N 1 0 386.485 1.539 20 0 GDADRO CC1(C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575589179 950263433 /nfs/dbraw/zinc/26/34/33/950263433.db2.gz VOVSHXRGETVMBE-NSHDSACASA-N 1 0 377.399 1.640 20 0 GDADRO C[C@@H](CC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)n1ccnc1 ZINC001574498455 950275142 /nfs/dbraw/zinc/27/51/42/950275142.db2.gz NPTOBJHYYRTSPA-AWEZNQCLSA-N 1 0 380.456 1.453 20 0 GDADRO C[C@]1(C(=O)NCC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C2CC2)CCOC1 ZINC001575592099 950278589 /nfs/dbraw/zinc/27/85/89/950278589.db2.gz CNNAJMNYEULNPP-IBGZPJMESA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cncnc1 ZINC001575905130 950291316 /nfs/dbraw/zinc/29/13/16/950291316.db2.gz BJQBVRFWDVPECR-BDJLRTHQSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575905180 950291582 /nfs/dbraw/zinc/29/15/82/950291582.db2.gz BVCWHQQKAQRLGS-WBMJQRKESA-N 1 0 379.424 1.360 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1cscn1 ZINC001575905775 950303210 /nfs/dbraw/zinc/30/32/10/950303210.db2.gz FILYPUBKJWCROK-MFKMUULPSA-N 1 0 389.510 1.706 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccsn1 ZINC001575905794 950304446 /nfs/dbraw/zinc/30/44/46/950304446.db2.gz FPKHSRSIPFEGOH-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1nccs1 ZINC001575906956 950319352 /nfs/dbraw/zinc/31/93/52/950319352.db2.gz LDOABXCCAYDDPD-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C2CC2)C1 ZINC001576193914 950319830 /nfs/dbraw/zinc/31/98/30/950319830.db2.gz VZRYQNFQMCQBAI-XJKSGUPXSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576194000 950322103 /nfs/dbraw/zinc/32/21/03/950322103.db2.gz XDMFXOZTXPVMFC-NEPJUHHUSA-N 1 0 386.485 1.539 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1CCOCC1 ZINC001575907222 950332004 /nfs/dbraw/zinc/33/20/04/950332004.db2.gz NAOICQOYHZJPFF-SJKOYZFVSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575908170 950355439 /nfs/dbraw/zinc/35/54/39/950355439.db2.gz ASJFRKHDAWZHFS-BLLLJJGKSA-N 1 0 392.467 1.860 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3ccc(-c4nn[nH]n4)nc3)C2)C1 ZINC001576196475 950363345 /nfs/dbraw/zinc/36/33/45/950363345.db2.gz FDSMWRKVRYHFFX-AUUYWEPGSA-N 1 0 384.488 1.254 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1csnn1 ZINC001575908617 950374528 /nfs/dbraw/zinc/37/45/28/950374528.db2.gz VUOMSNVOPAOPNK-RNCFNFMXSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@@H]1[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575909152 950387551 /nfs/dbraw/zinc/38/75/51/950387551.db2.gz FVFGEBISRPTLDU-UKRRQHHQSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@H]1[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576197276 950388511 /nfs/dbraw/zinc/38/85/11/950388511.db2.gz MOCRLIITMVSATC-GOEBONIOSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001576197892 950396293 /nfs/dbraw/zinc/39/62/93/950396293.db2.gz PGRCFXXHEUEPAX-ZBFHGGJFSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cc(Cl)no1 ZINC001575909491 950398081 /nfs/dbraw/zinc/39/80/81/950398081.db2.gz GPTYXDAZPPKDRM-GXFFZTMASA-N 1 0 387.831 1.901 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575597296 950406633 /nfs/dbraw/zinc/40/66/33/950406633.db2.gz OGKNNZRXAHZSNQ-FHSNZYRGSA-N 1 0 390.513 1.729 20 0 GDADRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccncc3-c3nn[nH]n3)C[C@]2(C)C1 ZINC001573857520 950408689 /nfs/dbraw/zinc/40/86/89/950408689.db2.gz UCYHRXDGCRNFFR-IFXJQAMLSA-N 1 0 385.472 1.951 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574503700 950417080 /nfs/dbraw/zinc/41/70/80/950417080.db2.gz YTSAURIDEJJRHB-GJZGRUSLSA-N 1 0 380.456 1.657 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575597897 950422534 /nfs/dbraw/zinc/42/25/34/950422534.db2.gz ZSWINVRCAVUXER-NJSLBKSFSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575910672 950425441 /nfs/dbraw/zinc/42/54/41/950425441.db2.gz MRABHJWDGFJFHG-SJKOYZFVSA-N 1 0 392.467 1.860 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001576199496 950425721 /nfs/dbraw/zinc/42/57/21/950425721.db2.gz ZTTHKZCIRTYGSE-HUUCEWRRSA-N 1 0 384.488 1.254 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cccnc1 ZINC001575910666 950426220 /nfs/dbraw/zinc/42/62/20/950426220.db2.gz MQEHHQWEUXEYRV-KXBFYZLASA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001576204063 950455368 /nfs/dbraw/zinc/45/53/68/950455368.db2.gz KNUUZBFTQJJSRI-RDBSUJKOSA-N 1 0 385.447 1.137 20 0 GDADRO C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001574507440 950456309 /nfs/dbraw/zinc/45/63/09/950456309.db2.gz IWTLMEBCKOBMAS-KGLIPLIRSA-N 1 0 382.472 1.388 20 0 GDADRO C[C@@H](CN(C)c1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204364 950465274 /nfs/dbraw/zinc/46/52/74/950465274.db2.gz OSDRTAAVBQKPCM-ZDUSSCGKSA-N 1 0 390.467 1.074 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001576204585 950467956 /nfs/dbraw/zinc/46/79/56/950467956.db2.gz QJHGEOFOCOCIGZ-HUUCEWRRSA-N 1 0 384.488 1.079 20 0 GDADRO CC(C)CC1(C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001574166705 950471373 /nfs/dbraw/zinc/47/13/73/950471373.db2.gz WCVPNTMYUPCQNO-AWEZNQCLSA-N 1 0 387.488 1.179 20 0 GDADRO CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cccc(F)c1-c1nn[nH]n1)C2 ZINC001573863560 950485017 /nfs/dbraw/zinc/48/50/17/950485017.db2.gz LTLQWQNKVMOGIS-DJJJIMSYSA-N 1 0 389.431 1.796 20 0 GDADRO C[C@@H](C[C@H](C)Nc1cncc(-c2nn[nH]n2)n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205284 950505378 /nfs/dbraw/zinc/50/53/78/950505378.db2.gz WMUFLFXKKOTTIW-KBPBESRZSA-N 1 0 387.492 1.084 20 0 GDADRO CC(C)c1cc(C(=O)NC[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)n(C)n1 ZINC001574997299 950545755 /nfs/dbraw/zinc/54/57/55/950545755.db2.gz SPCSIVWVISSKLL-LBPRGKRZSA-N 1 0 383.460 1.019 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573869613 950569332 /nfs/dbraw/zinc/56/93/32/950569332.db2.gz AMULMIZFNUJALZ-OKILXGFUSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001574754705 950584263 /nfs/dbraw/zinc/58/42/63/950584263.db2.gz OKZULYWDGDDEJX-CYBMUJFWSA-N 1 0 382.472 1.511 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575000155 950600325 /nfs/dbraw/zinc/60/03/25/950600325.db2.gz BCBSZNVFRDNROC-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573870867 950606135 /nfs/dbraw/zinc/60/61/35/950606135.db2.gz YSCSZOTYSALZSG-AWEZNQCLSA-N 1 0 375.477 1.442 20 0 GDADRO CC1(C)C(C(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1(C)C ZINC001575618148 950609427 /nfs/dbraw/zinc/60/94/27/950609427.db2.gz HITAUDWLIDYYTL-CYBMUJFWSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@H]1[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575919601 950614051 /nfs/dbraw/zinc/61/40/51/950614051.db2.gz IEMAIFMRVFPPDI-JSGCOSHPSA-N 1 0 387.463 1.749 20 0 GDADRO C[C@H](CN(C)C(=O)c1cccc2ncn(C)c21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574758970 950622413 /nfs/dbraw/zinc/62/24/13/950622413.db2.gz IKJVLSCYAZZESL-GFCCVEGCSA-N 1 0 391.439 1.143 20 0 GDADRO CC1(C)C(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1(C)C ZINC001575619859 950623582 /nfs/dbraw/zinc/62/35/82/950623582.db2.gz RDKOPOLVGZSSJB-SNVBAGLBSA-N 1 0 378.502 1.177 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCCO1 ZINC001574515673 950630033 /nfs/dbraw/zinc/63/00/33/950630033.db2.gz DKCJAMQEMCHFMP-MGHWNKPDSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCc1cccnc1 ZINC001575921353 950636267 /nfs/dbraw/zinc/63/62/67/950636267.db2.gz NNBBVUCFSVCNKW-RHSMWYFYSA-N 1 0 392.467 1.503 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574518256 950650139 /nfs/dbraw/zinc/65/01/39/950650139.db2.gz MWSJYOGDDNIBQC-NYCLONFESA-N 1 0 384.484 1.809 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575002606 950664452 /nfs/dbraw/zinc/66/44/52/950664452.db2.gz VXBJAJGCDMGFOQ-LBPRGKRZSA-N 1 0 381.440 1.988 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN(C)c1ccccc1 ZINC001575925579 950687703 /nfs/dbraw/zinc/68/77/03/950687703.db2.gz HPYDRKSEJJXVKW-WMLDXEAASA-N 1 0 392.467 1.221 20 0 GDADRO C[C@@H]1CN(C(=O)C(F)F)C[C@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)O1 ZINC001576215370 950696714 /nfs/dbraw/zinc/69/67/14/950696714.db2.gz ARKDTVGWFPYJAW-KZULUSFZSA-N 1 0 392.410 1.324 20 0 GDADRO C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575005788 950702113 /nfs/dbraw/zinc/70/21/13/950702113.db2.gz NGJKBWJJBILLLI-AWEZNQCLSA-N 1 0 379.468 1.913 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574762623 950709134 /nfs/dbraw/zinc/70/91/34/950709134.db2.gz ZSNGQBZJPCBXMF-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnc(C2CC2)o1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574763416 950712369 /nfs/dbraw/zinc/71/23/69/950712369.db2.gz ANAYMBBSZNRHBT-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CC[C@H](C)C1)[NH+](C)C ZINC001576215950 950720353 /nfs/dbraw/zinc/72/03/53/950720353.db2.gz XANGYDAZORJBEX-KBPBESRZSA-N 1 0 381.488 1.922 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575926830 950722457 /nfs/dbraw/zinc/72/24/57/950722457.db2.gz MDGXSRHADFYNRW-MFKMUULPSA-N 1 0 386.847 1.391 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574763728 950729079 /nfs/dbraw/zinc/72/90/79/950729079.db2.gz JAZFLINETOVQCO-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576217061 950753169 /nfs/dbraw/zinc/75/31/69/950753169.db2.gz GOANQCAKSNUUMJ-PWSUYJOCSA-N 1 0 377.399 1.378 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cn1cccn1 ZINC001574521087 950765609 /nfs/dbraw/zinc/76/56/09/950765609.db2.gz CYRVCEWQQYDSQD-STQMWFEESA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cscn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574521340 950777144 /nfs/dbraw/zinc/77/71/44/950777144.db2.gz FOMHNJUQPQHEAO-OLZOCXBDSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@@H](C[N@H+](C)C[C@H](O)C1CCCCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765296 950782445 /nfs/dbraw/zinc/78/24/45/950782445.db2.gz BKKHFMIXIHZIBV-LRDDRELGSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(F)F)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576218828 950794974 /nfs/dbraw/zinc/79/49/74/950794974.db2.gz MTAHRJXVWHNGKP-GXFFZTMASA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1ccn(C)n1 ZINC001574522894 950801383 /nfs/dbraw/zinc/80/13/83/950801383.db2.gz LRFAVATWUXXDNF-NWDGAFQWSA-N 1 0 388.501 1.277 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574766175 950804943 /nfs/dbraw/zinc/80/49/43/950804943.db2.gz LHPBKJDZKQECLD-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CC1(O)CCC1 ZINC001574523440 950812371 /nfs/dbraw/zinc/81/23/71/950812371.db2.gz NRNIRPYGUOGUKY-RYUDHWBXSA-N 1 0 378.502 1.606 20 0 GDADRO C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[nH]n3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575931524 950813966 /nfs/dbraw/zinc/81/39/66/950813966.db2.gz IKWSRUSMWJQINX-IUCAKERBSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1ccon1 ZINC001574523689 950821766 /nfs/dbraw/zinc/82/17/66/950821766.db2.gz PHZDPDHOPZIUFJ-NWDGAFQWSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cn1ccnc1 ZINC001574524470 950863620 /nfs/dbraw/zinc/86/36/20/950863620.db2.gz WVAMWPHOQJTJNL-QWHCGFSZSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnn(C)c1 ZINC001574527223 950880597 /nfs/dbraw/zinc/88/05/97/950880597.db2.gz AUQFRODDEKXFTA-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576226481 950884238 /nfs/dbraw/zinc/88/42/38/950884238.db2.gz BSIDZVROLYNKQN-DOMZBBRYSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cncn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574527516 950890483 /nfs/dbraw/zinc/89/04/83/950890483.db2.gz CVDGXQVVMZHIAE-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncccc1O)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574768629 950893875 /nfs/dbraw/zinc/89/38/75/950893875.db2.gz ZWRBFLKMIOPVDS-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001573893970 950912190 /nfs/dbraw/zinc/91/21/90/950912190.db2.gz GLGBMDHOHXCMLF-TXEJJXNPSA-N 1 0 381.444 1.008 20 0 GDADRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001576227539 950915403 /nfs/dbraw/zinc/91/54/03/950915403.db2.gz DQOKVTWLILTCIX-HIFRSBDPSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc2n(n1)CCC2)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574528073 950923113 /nfs/dbraw/zinc/92/31/13/950923113.db2.gz KPWZYRPYSKIJRQ-NWDGAFQWSA-N 1 0 383.460 1.024 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cccnn1 ZINC001574528668 950936889 /nfs/dbraw/zinc/93/68/89/950936889.db2.gz NYBNBBLJAOAWPI-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575642411 950942068 /nfs/dbraw/zinc/94/20/68/950942068.db2.gz GPSMAHAFGHMOCC-DLBZAZTESA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccnnc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574528732 950942281 /nfs/dbraw/zinc/94/22/81/950942281.db2.gz OHVSKBUMORGZTC-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCOCC1 ZINC001574772130 950960342 /nfs/dbraw/zinc/96/03/42/950960342.db2.gz PTKWROICYVAHTI-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1(C)CCOCC1 ZINC001574772681 950975377 /nfs/dbraw/zinc/97/53/77/950975377.db2.gz UFILKIXRGUHMIG-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574773950 950995691 /nfs/dbraw/zinc/99/56/91/950995691.db2.gz AABIHCQXUWRXRW-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO CC(C)CCC[N@H+](CCO)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001574195565 950996680 /nfs/dbraw/zinc/99/66/80/950996680.db2.gz SLTBYVFMSGRILV-UHFFFAOYSA-N 1 0 389.504 1.530 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ncccn1 ZINC001574530880 951006317 /nfs/dbraw/zinc/00/63/17/951006317.db2.gz YEUBZJQYBROHNN-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cccc(F)c1Cl ZINC001575018419 951021794 /nfs/dbraw/zinc/02/17/94/951021794.db2.gz QBTHXCOOMZGDSV-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001575018973 951028758 /nfs/dbraw/zinc/02/87/58/951028758.db2.gz RXUBEBREJQBSJF-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cccc2c1CCOC2 ZINC001575018884 951028788 /nfs/dbraw/zinc/02/87/88/951028788.db2.gz RHEAHENEMLVDJS-LBPRGKRZSA-N 1 0 381.440 1.176 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575024574 951108030 /nfs/dbraw/zinc/10/80/30/951108030.db2.gz HVIBKVXGAYVOAD-NSHDSACASA-N 1 0 384.465 1.771 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2[nH]ccc2n1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575024762 951115275 /nfs/dbraw/zinc/11/52/75/951115275.db2.gz MJGOKVYBTWPMSZ-ZDUSSCGKSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@H](CNC(=O)c1ccc(N(C)C)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024984 951123006 /nfs/dbraw/zinc/12/30/06/951123006.db2.gz QZCPUDNWQFEALB-CQSZACIVSA-N 1 0 379.468 1.841 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(=O)[nH]1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575026949 951150660 /nfs/dbraw/zinc/15/06/60/951150660.db2.gz OOEOPKTZMBNFAW-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)c1cccc(N(C)C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575028017 951164439 /nfs/dbraw/zinc/16/44/39/951164439.db2.gz KNPCKUUAWFTJPW-CQSZACIVSA-N 1 0 379.468 1.841 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1COCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575029708 951190019 /nfs/dbraw/zinc/19/00/19/951190019.db2.gz WYZMXCTZACKVKI-AWEZNQCLSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575034588 951250165 /nfs/dbraw/zinc/25/01/65/951250165.db2.gz NZHWFICSDSXSQV-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1ccn(C(F)F)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575036521 951295941 /nfs/dbraw/zinc/29/59/41/951295941.db2.gz UCYHHQXGSBAECS-QMMMGPOBSA-N 1 0 382.400 1.428 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575043731 951403538 /nfs/dbraw/zinc/40/35/38/951403538.db2.gz MOIFBHORASFZDB-LLVKDONJSA-N 1 0 384.419 1.057 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575043986 951407943 /nfs/dbraw/zinc/40/79/43/951407943.db2.gz NLGLVIBMQZZPTA-LLVKDONJSA-N 1 0 386.485 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575054610 951494156 /nfs/dbraw/zinc/49/41/56/951494156.db2.gz JCOLUFQZKRGTOH-JTQLQIEISA-N 1 0 378.437 1.002 20 0 GDADRO C[C@H](CNC(=O)c1cnn2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575055299 951502293 /nfs/dbraw/zinc/50/22/93/951502293.db2.gz PXBQGDRHUBPZBF-LLVKDONJSA-N 1 0 384.419 1.057 20 0 GDADRO CC(C)c1oncc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575055530 951507341 /nfs/dbraw/zinc/50/73/41/951507341.db2.gz WKQVXHLJONYJQT-SNVBAGLBSA-N 1 0 375.458 1.948 20 0 GDADRO C[C@H](CNC(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575056608 951521268 /nfs/dbraw/zinc/52/12/68/951521268.db2.gz JPGJZVCWPLABSQ-MRVPVSSYSA-N 1 0 377.405 1.076 20 0 GDADRO C[C@H](CNC(=O)c1ncc(F)cc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575067337 951609607 /nfs/dbraw/zinc/60/96/07/951609607.db2.gz KZMLKPWJGHVFLG-SECBINFHSA-N 1 0 391.357 1.587 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575067533 951613955 /nfs/dbraw/zinc/61/39/55/951613955.db2.gz UXNANPYHNWVAGX-ZETCQYMHSA-N 1 0 383.384 1.762 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575068525 951634653 /nfs/dbraw/zinc/63/46/53/951634653.db2.gz ABSOAAIMADUJCG-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1sccc1C[NH+](C)C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575068626 951636501 /nfs/dbraw/zinc/63/65/01/951636501.db2.gz CLGDHBOMEWXVAP-LLVKDONJSA-N 1 0 386.485 1.615 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575069012 951639925 /nfs/dbraw/zinc/63/99/25/951639925.db2.gz FLYNHXZCDNNCAV-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575070229 951651093 /nfs/dbraw/zinc/65/10/93/951651093.db2.gz POSGANUYEREJLG-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](C[NH2+]C[C@H](O)c1ccccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077171 951662571 /nfs/dbraw/zinc/66/25/71/951662571.db2.gz DYFFPJLJKVLZGJ-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cnsn1 ZINC001575077859 951675621 /nfs/dbraw/zinc/67/56/21/951675621.db2.gz IZSKOQNRHZPFDJ-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC001575078483 951680785 /nfs/dbraw/zinc/68/07/85/951680785.db2.gz MCEJPCBFAYMGNO-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccon1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078558 951682602 /nfs/dbraw/zinc/68/26/02/951682602.db2.gz NJFGMOCCGORVPR-GFCCVEGCSA-N 1 0 387.419 1.469 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078944 951685524 /nfs/dbraw/zinc/68/55/24/951685524.db2.gz BEXXSDDYMNFORD-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cnns1 ZINC001575079879 951699411 /nfs/dbraw/zinc/69/94/11/951699411.db2.gz SBBZMRUYCGSREP-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1(C(F)F)CC1 ZINC001575079963 951701498 /nfs/dbraw/zinc/70/14/98/951701498.db2.gz UHDQGXSTNVLXHK-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080126 951704020 /nfs/dbraw/zinc/70/40/20/951704020.db2.gz VONHCGZVXVSNJS-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080193 951705519 /nfs/dbraw/zinc/70/55/19/951705519.db2.gz PLIZUVHSFLKHPS-ZIAGYGMSSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC1(O)CCC1 ZINC001575082910 951737721 /nfs/dbraw/zinc/73/77/21/951737721.db2.gz ZKCHLMPQIPKSSZ-LBPRGKRZSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ccc(F)cn1 ZINC001575090267 951759308 /nfs/dbraw/zinc/75/93/08/951759308.db2.gz KFRAAGJBZJAZKC-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090345 951760793 /nfs/dbraw/zinc/76/07/93/951760793.db2.gz KRPSBAVXOGBEIV-DOMZBBRYSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575090737 951764160 /nfs/dbraw/zinc/76/41/60/951764160.db2.gz LNYQMTDOXOKUFL-GTNSWQLSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](CNC(=O)CC1(O)CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090928 951764858 /nfs/dbraw/zinc/76/48/58/951764858.db2.gz OEGAONUFNJMRCA-LBPRGKRZSA-N 1 0 376.436 1.153 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575090963 951766841 /nfs/dbraw/zinc/76/68/41/951766841.db2.gz ONYABIQGPBCCEU-CJNGLKHVSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)c1cscn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091034 951767957 /nfs/dbraw/zinc/76/79/57/951767957.db2.gz OYMKOKSYSYFILU-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](CNC(=O)Cc1cscn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091299 951773011 /nfs/dbraw/zinc/77/30/11/951773011.db2.gz QJSRKJMZNFOSCZ-LLVKDONJSA-N 1 0 389.460 1.547 20 0 GDADRO C[C@H](CNC(=O)CC[C@@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091580 951778680 /nfs/dbraw/zinc/77/86/80/951778680.db2.gz VQZDOUUZKBFQDU-BBRMVZONSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCC1(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091905 951785122 /nfs/dbraw/zinc/78/51/22/951785122.db2.gz YLGQBJGIRSGSMP-MFKMUULPSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093298 951797883 /nfs/dbraw/zinc/79/78/83/951797883.db2.gz HREUVSCPRSYASR-ZDUSSCGKSA-N 1 0 380.456 1.165 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)COc1cccnc1 ZINC001575093372 951797989 /nfs/dbraw/zinc/79/79/89/951797989.db2.gz IIOPSTDHQBBRNH-CQSZACIVSA-N 1 0 381.440 1.277 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2[nH]cnc2c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095096 951808429 /nfs/dbraw/zinc/80/84/29/951808429.db2.gz RGNGUMWTRBAUCV-GFCCVEGCSA-N 1 0 391.439 1.294 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575095118 951809322 /nfs/dbraw/zinc/80/93/22/951809322.db2.gz RWBGGAFNKSDMMW-KUHUBIRLSA-N 1 0 392.463 1.807 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1ccccn1 ZINC001575096112 951817848 /nfs/dbraw/zinc/81/78/48/951817848.db2.gz ZLJJYGVPDRTBHM-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C2CC2)n1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096144 951818833 /nfs/dbraw/zinc/81/88/33/951818833.db2.gz ZMXJVRUZFLJYQX-GFCCVEGCSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099774 951838589 /nfs/dbraw/zinc/83/85/89/951838589.db2.gz OKRGQMHRAWYLKJ-CHWSQXEVSA-N 1 0 378.502 1.729 20 0 GDADRO C[C@H](CNC(=O)c1conc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575101067 951853918 /nfs/dbraw/zinc/85/39/18/951853918.db2.gz YWKMMPNNZDUYNP-JTQLQIEISA-N 1 0 387.469 1.949 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]cc1F)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101228 951856395 /nfs/dbraw/zinc/85/63/95/951856395.db2.gz BBRPPYBQOCVYDO-VIFPVBQESA-N 1 0 376.371 1.024 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)COC(C)(C)C ZINC001575105442 951894115 /nfs/dbraw/zinc/89/41/15/951894115.db2.gz JQRLHXVWOHEVMR-GFCCVEGCSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001575106131 951902357 /nfs/dbraw/zinc/90/23/57/951902357.db2.gz QDYOUFJHSIRNTA-LJQANCHMSA-N 1 0 380.456 1.207 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001575107931 951922584 /nfs/dbraw/zinc/92/25/84/951922584.db2.gz JIVGALYVEKWEMZ-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(F)F)c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109788 951933960 /nfs/dbraw/zinc/93/39/60/951933960.db2.gz VLMWSMVLECZZOE-NSHDSACASA-N 1 0 390.398 1.614 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[C@@H](C)n1cccn1 ZINC001575110371 951939226 /nfs/dbraw/zinc/93/92/26/951939226.db2.gz ZUORWWXZMYEXDU-HUUCEWRRSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114025 951951119 /nfs/dbraw/zinc/95/11/19/951951119.db2.gz KVRCIJJVMLBRFQ-KBPBESRZSA-N 1 0 382.472 1.311 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1ncoc1C1CC1 ZINC001575114064 951953010 /nfs/dbraw/zinc/95/30/10/951953010.db2.gz LMHMOISSMOFSLQ-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114099 951953239 /nfs/dbraw/zinc/95/32/39/951953239.db2.gz MPQOROQMSCEHNL-APHBMKBZSA-N 1 0 380.456 1.235 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)c1ccccn1)C1CC1 ZINC001575114829 951961440 /nfs/dbraw/zinc/96/14/40/951961440.db2.gz UIVFVBTZHMAIGW-FQEVSTJZSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575135772 952121135 /nfs/dbraw/zinc/12/11/35/952121135.db2.gz NNVGWVFPUSODBA-QWHCGFSZSA-N 1 0 375.452 1.606 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575144289 952164458 /nfs/dbraw/zinc/16/44/58/952164458.db2.gz HOVBBJWKUNEVOS-IIBYNOLFSA-N 1 0 389.463 1.720 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575145002 952175095 /nfs/dbraw/zinc/17/50/95/952175095.db2.gz OAUJKUTZWSZLOG-QGZVFWFLSA-N 1 0 386.847 1.676 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575145621 952187766 /nfs/dbraw/zinc/18/77/66/952187766.db2.gz BGJSIMPIXMSJDM-LLVKDONJSA-N 1 0 383.460 1.277 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575146068 952191531 /nfs/dbraw/zinc/19/15/31/952191531.db2.gz HGYADOIPIVNUAR-LLVKDONJSA-N 1 0 387.394 1.463 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc(F)c(F)cc1F ZINC001575146443 952193948 /nfs/dbraw/zinc/19/39/48/952193948.db2.gz LCYWPMPVVOBMOI-VIFPVBQESA-N 1 0 391.357 1.674 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575147718 952200813 /nfs/dbraw/zinc/20/08/13/952200813.db2.gz UYNVAZWFCFGUPZ-LBPRGKRZSA-N 1 0 383.460 1.208 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001575163968 952285570 /nfs/dbraw/zinc/28/55/70/952285570.db2.gz ANOWZNTZBPRXEC-LLVKDONJSA-N 1 0 392.895 1.658 20 0 GDADRO Cc1cc(NC[C@@H]2CCN(C(=O)C(C)(C)F)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571118010 952486042 /nfs/dbraw/zinc/48/60/42/952486042.db2.gz RVCAOGBORHDOEI-AAEUAGOBSA-N 1 0 375.452 1.637 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001575197771 952487326 /nfs/dbraw/zinc/48/73/26/952487326.db2.gz ZOOZDPIBQUGQJB-ZDUSSCGKSA-N 1 0 381.440 1.819 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001575199173 952487559 /nfs/dbraw/zinc/48/75/59/952487559.db2.gz AHCSAJCBWISHJR-NWDGAFQWSA-N 1 0 386.435 1.202 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)c1cc(F)c[nH]1 ZINC001571118643 952489616 /nfs/dbraw/zinc/48/96/16/952489616.db2.gz YAUBKVQYONEWQV-LLVKDONJSA-N 1 0 375.433 1.790 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001575199773 952491333 /nfs/dbraw/zinc/49/13/33/952491333.db2.gz FKWIBJRRNARLAG-DUOKCRBOSA-N 1 0 392.467 1.015 20 0 GDADRO CC[C@@H](F)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)c(F)c1)C2 ZINC001571119704 952494348 /nfs/dbraw/zinc/49/43/48/952494348.db2.gz DSKAJVPLTZPXEX-CQSZACIVSA-N 1 0 376.411 1.788 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120706 952506327 /nfs/dbraw/zinc/50/63/27/952506327.db2.gz OLOCEAILPDHEHB-AWEZNQCLSA-N 1 0 375.502 1.103 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CC1(F)F ZINC001571120851 952509848 /nfs/dbraw/zinc/50/98/48/952509848.db2.gz RPPCUYVZEXKDAE-CFVMTHIKSA-N 1 0 376.411 1.896 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@H]1CCC(F)(F)C1 ZINC001571121292 952519668 /nfs/dbraw/zinc/51/96/68/952519668.db2.gz XUHAQLGUMZATGU-GXTWGEPZSA-N 1 0 376.411 1.993 20 0 GDADRO CC(C)(O)CC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001571121926 952522304 /nfs/dbraw/zinc/52/23/04/952522304.db2.gz FEJUTJDZUQBJEF-UHFFFAOYSA-N 1 0 376.436 1.247 20 0 GDADRO O=C([C@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571122783 952526516 /nfs/dbraw/zinc/52/65/16/952526516.db2.gz LDDXWGLHBPOJAU-OLZOCXBDSA-N 1 0 376.486 1.293 20 0 GDADRO C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575206592 952529537 /nfs/dbraw/zinc/52/95/37/952529537.db2.gz KGJRYQNZNLJDQO-UONOGXRCSA-N 1 0 382.472 1.073 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)C ZINC001571124001 952533340 /nfs/dbraw/zinc/53/33/40/952533340.db2.gz XASYVTJKMULTRX-GDBMZVCRSA-N 1 0 376.436 1.367 20 0 GDADRO CC[C@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571124107 952533727 /nfs/dbraw/zinc/53/37/27/952533727.db2.gz YXZFIHXUJIBEEJ-ZBFHGGJFSA-N 1 0 376.436 1.511 20 0 GDADRO Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)C3CC(F)(F)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124290 952536583 /nfs/dbraw/zinc/53/65/83/952536583.db2.gz DTUYCUYTWSQFOL-CMPLNLGQSA-N 1 0 377.399 1.439 20 0 GDADRO Cc1cncc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571127829 952560883 /nfs/dbraw/zinc/56/08/83/952560883.db2.gz KIOOQJARYUNWSD-QAQDUYKDSA-N 1 0 377.452 1.550 20 0 GDADRO Cc1cc(NCCc2ccc(CNC(=O)C3CC3)cc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571128047 952561674 /nfs/dbraw/zinc/56/16/74/952561674.db2.gz OAKOAGWWVSBGRL-UHFFFAOYSA-N 1 0 377.452 1.673 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575214412 952563567 /nfs/dbraw/zinc/56/35/67/952563567.db2.gz KPHVDAFZALDPPA-UHFFFAOYSA-N 1 0 379.415 1.672 20 0 GDADRO Cc1cc(NC[C@H]2C[C@H](NC(=O)C3C=CC=CC=C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571128912 952572258 /nfs/dbraw/zinc/57/22/58/952572258.db2.gz YLSBMTZHTPBQMD-KOMQPUFPSA-N 1 0 377.452 1.597 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3(F)F)C2)cc1-c1nn[nH]n1 ZINC001571130030 952578414 /nfs/dbraw/zinc/57/84/14/952578414.db2.gz NESPGEQHSZXXMJ-LOWVWBTDSA-N 1 0 378.383 1.267 20 0 GDADRO C[C@H]1CN(C(=O)c2ncccn2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571134768 952595130 /nfs/dbraw/zinc/59/51/30/952595130.db2.gz LHYFYPMEITVNOF-XJKSGUPXSA-N 1 0 378.440 1.297 20 0 GDADRO CCN(C(=O)c1ccncn1)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571135091 952599567 /nfs/dbraw/zinc/59/95/67/952599567.db2.gz PBJDIMHUPPXSQC-OAHLLOKOSA-N 1 0 378.440 1.393 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C)cnn1 ZINC001571135428 952603370 /nfs/dbraw/zinc/60/33/70/952603370.db2.gz VUHHPWMKJFJKRX-BBRMVZONSA-N 1 0 378.440 1.358 20 0 GDADRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccccc1-c1nn[nH]n1)C2)c1cocn1 ZINC001571140302 952624801 /nfs/dbraw/zinc/62/48/01/952624801.db2.gz BKOBXWYAQJRGEH-UHFFFAOYSA-N 1 0 379.424 1.686 20 0 GDADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC001571142278 952639731 /nfs/dbraw/zinc/63/97/31/952639731.db2.gz OFGFOYFCOMHMPZ-NEPJUHHUSA-N 1 0 378.820 1.390 20 0 GDADRO CC[C@H](OC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571142301 952640004 /nfs/dbraw/zinc/64/00/04/952640004.db2.gz OOFMTPORKBMWDZ-OCCSQVGLSA-N 1 0 378.502 1.824 20 0 GDADRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccccn1)C2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571142503 952642848 /nfs/dbraw/zinc/64/28/48/952642848.db2.gz SHMRXQKHXWIOCC-UHFFFAOYSA-N 1 0 378.440 1.421 20 0 GDADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571142747 952645924 /nfs/dbraw/zinc/64/59/24/952645924.db2.gz XINKYPREZLJLKY-GOOCMWNKSA-N 1 0 378.440 1.515 20 0 GDADRO O=C(Cc1cc[nH]n1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571142783 952646466 /nfs/dbraw/zinc/64/64/66/952646466.db2.gz YLMBJQRXWSJKRG-PVAVHDDUSA-N 1 0 378.440 1.054 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1ncoc1C1CC1 ZINC001571146915 952654054 /nfs/dbraw/zinc/65/40/54/952654054.db2.gz CUZKHKBIRUAIIU-HNNXBMFYSA-N 1 0 379.424 1.736 20 0 GDADRO O=C(c1cnc(C2CC2)o1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571147729 952663402 /nfs/dbraw/zinc/66/34/02/952663402.db2.gz PDNPDRJKJCLZNE-OAHLLOKOSA-N 1 0 379.424 1.736 20 0 GDADRO O=C(c1coc(C2CC2)n1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571148413 952667454 /nfs/dbraw/zinc/66/74/54/952667454.db2.gz YYQCQKVXHMYZKQ-OAHLLOKOSA-N 1 0 379.424 1.736 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001571151670 952676690 /nfs/dbraw/zinc/67/66/90/952676690.db2.gz UCXKBDNFFMQYBV-ZVZYQTTQSA-N 1 0 379.468 1.914 20 0 GDADRO Cc1cc(N2C[C@H](NC(=O)c3cnccn3)CC[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571156570 952701954 /nfs/dbraw/zinc/70/19/54/952701954.db2.gz DLTRFMVEHNBCNF-CHWSQXEVSA-N 1 0 379.428 1.147 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)cnn1 ZINC001571158938 952716416 /nfs/dbraw/zinc/71/64/16/952716416.db2.gz UYOCMZKIIQDLLL-AWEZNQCLSA-N 1 0 379.428 1.149 20 0 GDADRO CCc1nn(C)cc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571165431 952750888 /nfs/dbraw/zinc/75/08/88/952750888.db2.gz CZZZYUNCHNPQNU-OAHLLOKOSA-N 1 0 380.456 1.167 20 0 GDADRO Cc1ccc(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)cc1-c1nn[nH]n1 ZINC001571165676 952753638 /nfs/dbraw/zinc/75/36/38/952753638.db2.gz HLGLNXKVWPZABV-KRWDZBQOSA-N 1 0 380.427 1.971 20 0 GDADRO CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571166273 952759616 /nfs/dbraw/zinc/75/96/16/952759616.db2.gz LEKULBVANLIUCL-UHFFFAOYSA-N 1 0 380.456 1.476 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571166724 952764640 /nfs/dbraw/zinc/76/46/40/952764640.db2.gz OZKSIADHMYPCDU-CZUORRHYSA-N 1 0 380.456 1.478 20 0 GDADRO CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571167014 952768689 /nfs/dbraw/zinc/76/86/89/952768689.db2.gz SIKMSTSJLDDHFA-QGZVFWFLSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167033 952768858 /nfs/dbraw/zinc/76/88/58/952768858.db2.gz TVFVUBVBBFWLRT-XJKSGUPXSA-N 1 0 380.456 1.098 20 0 GDADRO CCc1cc(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)[nH]n1 ZINC001571167237 952771388 /nfs/dbraw/zinc/77/13/88/952771388.db2.gz ZLUAUQVJDRUVCB-WBMJQRKESA-N 1 0 380.456 1.545 20 0 GDADRO Cc1cncc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)c1 ZINC001571169638 952776200 /nfs/dbraw/zinc/77/62/00/952776200.db2.gz IWRICBHLSBFOKI-UKRRQHHQSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1cncc(C[NH2+]C[C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571169643 952777490 /nfs/dbraw/zinc/77/74/90/952777490.db2.gz JHZVIPUFIMEMEL-AWEZNQCLSA-N 1 0 380.456 1.540 20 0 GDADRO Cc1cn(C)nc1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169795 952778475 /nfs/dbraw/zinc/77/84/75/952778475.db2.gz NQEAIQQEOVAPLI-INIZCTEOSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1nc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)[nH]1 ZINC001571170899 952789535 /nfs/dbraw/zinc/78/95/35/952789535.db2.gz YZHSREKFKKSJBP-BDJLRTHQSA-N 1 0 380.456 1.457 20 0 GDADRO Cc1nccn1CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171775 952796788 /nfs/dbraw/zinc/79/67/88/952796788.db2.gz GHWLRALQRHRMCB-MRXNPFEDSA-N 1 0 380.456 1.010 20 0 GDADRO Cn1cncc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571172188 952802654 /nfs/dbraw/zinc/80/26/54/952802654.db2.gz OTRZULYKKFHLNO-HNNXBMFYSA-N 1 0 380.456 1.385 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)o1 ZINC001571179235 952850193 /nfs/dbraw/zinc/85/01/93/952850193.db2.gz AKGLIEYSIWWJHF-BLLLJJGKSA-N 1 0 381.440 1.864 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571179210 952850417 /nfs/dbraw/zinc/85/04/17/952850417.db2.gz ACNFPWSCRXGOAQ-APPDUMDISA-N 1 0 381.440 1.395 20 0 GDADRO Cc1ccoc1CC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571180107 952857371 /nfs/dbraw/zinc/85/73/71/952857371.db2.gz LOLPHNXECJWMST-CQSZACIVSA-N 1 0 381.440 1.751 20 0 GDADRO Cc1nocc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571180460 952860481 /nfs/dbraw/zinc/86/04/81/952860481.db2.gz OUIQJIABSRIWGN-BLLLJJGKSA-N 1 0 381.440 1.946 20 0 GDADRO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571182882 952870587 /nfs/dbraw/zinc/87/05/87/952870587.db2.gz IJYSJNGFZRRYOB-AWEZNQCLSA-N 1 0 381.440 1.598 20 0 GDADRO CCc1oncc1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571183065 952872763 /nfs/dbraw/zinc/87/27/63/952872763.db2.gz NHSXOXACWBCSFH-AWEZNQCLSA-N 1 0 381.440 1.812 20 0 GDADRO O=C(c1ccccn1)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571183108 952873307 /nfs/dbraw/zinc/87/33/07/952873307.db2.gz OWGKRYNPOQZTLS-OAHLLOKOSA-N 1 0 381.415 1.795 20 0 GDADRO CCc1noc(C)c1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571183261 952875724 /nfs/dbraw/zinc/87/57/24/952875724.db2.gz UTPCJLNPRBKPDZ-HNNXBMFYSA-N 1 0 381.440 1.730 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571183725 952882095 /nfs/dbraw/zinc/88/20/95/952882095.db2.gz IDKQJAOGODAHRV-MLGOLLRUSA-N 1 0 381.444 1.015 20 0 GDADRO Cc1nscc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571188382 952913931 /nfs/dbraw/zinc/91/39/31/952913931.db2.gz AHGKSZYNKVSYPT-FOLVSLTJSA-N 1 0 381.465 1.492 20 0 GDADRO Cc1cc(N2CCN(C(=O)c3ccnn3C(C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188840 952920296 /nfs/dbraw/zinc/92/02/96/952920296.db2.gz NTOTYWLNVNGXQL-UHFFFAOYSA-N 1 0 381.444 1.310 20 0 GDADRO C[C@H]1CCN(C(=O)C(F)F)C[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571194017 952955786 /nfs/dbraw/zinc/95/57/86/952955786.db2.gz HGDOTGFQQIURAU-CMPLNLGQSA-N 1 0 382.390 1.845 20 0 GDADRO CCCc1nc(C)c(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571199769 953003855 /nfs/dbraw/zinc/00/38/55/953003855.db2.gz BOQUJRVFNJSNNA-HAQNSBGRSA-N 1 0 382.428 1.305 20 0 GDADRO O=C(c1cccnn1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571200749 953011694 /nfs/dbraw/zinc/01/16/94/953011694.db2.gz LJBHZTLVIBBTCG-CYBMUJFWSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1nc(C(=O)NC2(C)CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)co1 ZINC001571202268 953023870 /nfs/dbraw/zinc/02/38/70/953023870.db2.gz SINBVKDPOIHLQK-UHFFFAOYSA-N 1 0 382.428 1.655 20 0 GDADRO Cc1cc(CCC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C)no1 ZINC001571202532 953026550 /nfs/dbraw/zinc/02/65/50/953026550.db2.gz UPAHBRACAQGKAC-SWLSCSKDSA-N 1 0 382.428 1.014 20 0 GDADRO Cc1nc(C)c(C(=O)NCC2CC(Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571202820 953028726 /nfs/dbraw/zinc/02/87/26/953028726.db2.gz ZJRNBNWLNNFDOR-UHFFFAOYSA-N 1 0 382.428 1.217 20 0 GDADRO Cc1oncc1C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001571205109 953036458 /nfs/dbraw/zinc/03/64/58/953036458.db2.gz GOPKEXGKOJTRLX-SFHVURJKSA-N 1 0 382.428 1.229 20 0 GDADRO Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsn2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001571209670 953065748 /nfs/dbraw/zinc/06/57/48/953065748.db2.gz ARRMLAZNLUSBMS-HONMWMINSA-N 1 0 382.453 1.566 20 0 GDADRO O=C([C@H]1CC12CCOCC2)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571210198 953070247 /nfs/dbraw/zinc/07/02/47/953070247.db2.gz ODJOPEMITPNYAL-IAGOWNOFSA-N 1 0 382.468 1.374 20 0 GDADRO C[C@H]1CN(C(=O)C2=COCCC2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571210182 953070951 /nfs/dbraw/zinc/07/09/51/953070951.db2.gz NNSKZJFPRPZMEC-WMLDXEAASA-N 1 0 382.468 1.745 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)C2=CCOCC2)C1 ZINC001571210364 953071478 /nfs/dbraw/zinc/07/14/78/953071478.db2.gz PTLCWFKPQOEEGM-GOSISDBHSA-N 1 0 382.468 1.636 20 0 GDADRO O=C(N[C@]12CCC[C@@H]1[N@H+](Cc1ccccc1-c1nn[nH]n1)CC2)[C@@H]1CCCO1 ZINC001571210407 953072306 /nfs/dbraw/zinc/07/23/06/953072306.db2.gz QVVLLKIADHCRKS-ZWOKBUDYSA-N 1 0 382.468 1.659 20 0 GDADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571211514 953077723 /nfs/dbraw/zinc/07/77/23/953077723.db2.gz AHXHLLPVORBBBH-KURKYZTESA-N 1 0 382.468 1.469 20 0 GDADRO Cc1cc(N2C[C@@H]3CCCN(C(=O)[C@H]4CCOC4)[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233120 953190554 /nfs/dbraw/zinc/19/05/54/953190554.db2.gz PAHXBTOMXIXZPF-GRDNDAEWSA-N 1 0 383.456 1.034 20 0 GDADRO Cc1ncccc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571233841 953196118 /nfs/dbraw/zinc/19/61/18/953196118.db2.gz FWOJHTOXDHNNBL-ZDUSSCGKSA-N 1 0 383.481 1.884 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cscn1 ZINC001571233967 953197524 /nfs/dbraw/zinc/19/75/24/953197524.db2.gz JHPWSZQRGDHPQE-WBMJQRKESA-N 1 0 383.481 1.645 20 0 GDADRO Cc1ccc(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001571234240 953199796 /nfs/dbraw/zinc/19/97/96/953199796.db2.gz QOCPYUWCRUTDTC-AWEZNQCLSA-N 1 0 383.481 1.565 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccns2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234496 953203296 /nfs/dbraw/zinc/20/32/96/953203296.db2.gz ZWHXLILBNHYVHA-IUODEOHRSA-N 1 0 383.481 1.964 20 0 GDADRO C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571239426 953238835 /nfs/dbraw/zinc/23/88/35/953238835.db2.gz LJNGWZVZNDMDBW-RISCZKNCSA-N 1 0 384.419 1.227 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cn[nH]c1 ZINC001571241522 953247132 /nfs/dbraw/zinc/24/71/32/953247132.db2.gz BWHFZKQRKPJROA-MLGOLLRUSA-N 1 0 384.419 1.417 20 0 GDADRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ccn[nH]1 ZINC001571241525 953247270 /nfs/dbraw/zinc/24/72/70/953247270.db2.gz CAURPFBUBRBVLO-FZMZJTMJSA-N 1 0 384.419 1.417 20 0 GDADRO Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cn1 ZINC001571241697 953249006 /nfs/dbraw/zinc/24/90/06/953249006.db2.gz JAHXNTLOFGFSGE-OAHLLOKOSA-N 1 0 384.419 1.134 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571241715 953249057 /nfs/dbraw/zinc/24/90/57/953249057.db2.gz JMXWNLQIEFONJX-ZIAGYGMSSA-N 1 0 384.419 1.560 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)C1=COCCO1 ZINC001571241809 953249651 /nfs/dbraw/zinc/24/96/51/953249651.db2.gz MEFMFZNQJJYSGR-XJKSGUPXSA-N 1 0 384.440 1.224 20 0 GDADRO CC(C)c1ocnc1C[NH2+][C@H]1C[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571242145 953254144 /nfs/dbraw/zinc/25/41/44/953254144.db2.gz BXMQMGILHDDJKZ-AULYBMBSSA-N 1 0 384.444 1.604 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@H]2C)nn1 ZINC001571244758 953266676 /nfs/dbraw/zinc/26/66/76/953266676.db2.gz HNISPRJEYQFOMY-YPMHNXCESA-N 1 0 384.469 1.419 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cnn1 ZINC001571245417 953273323 /nfs/dbraw/zinc/27/33/23/953273323.db2.gz SLLRHGQBGKBAHN-GFCCVEGCSA-N 1 0 384.469 1.279 20 0 GDADRO COc1cccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571246242 953282000 /nfs/dbraw/zinc/28/20/00/953282000.db2.gz WUSYHXAWWPXMEN-ZDUSSCGKSA-N 1 0 384.465 1.941 20 0 GDADRO Cc1ccoc1CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001571246374 953282612 /nfs/dbraw/zinc/28/26/12/953282612.db2.gz ZKTFQSZGWMJGQY-LAQFHYBYSA-N 1 0 384.465 1.619 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CN(C(=O)CC2CCC2)CCO1 ZINC001571247631 953284419 /nfs/dbraw/zinc/28/44/19/953284419.db2.gz BFXQYGBFNIWDQZ-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCCOCC1 ZINC001571247740 953285034 /nfs/dbraw/zinc/28/50/34/953285034.db2.gz DBBVKLXMDZYJKB-DOTOQJQBSA-N 1 0 384.484 1.716 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cncnc1 ZINC001571247758 953286235 /nfs/dbraw/zinc/28/62/35/953286235.db2.gz DIAQMOAYKXGMFS-OLZOCXBDSA-N 1 0 384.469 1.549 20 0 GDADRO COC1CCC(C(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001571247908 953287345 /nfs/dbraw/zinc/28/73/45/953287345.db2.gz ICAGNHNWOYEMNU-UHFFFAOYSA-N 1 0 384.484 1.620 20 0 GDADRO CO[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001571247975 953287866 /nfs/dbraw/zinc/28/78/66/953287866.db2.gz KFEYULVPKCZQJM-GOSISDBHSA-N 1 0 384.484 1.620 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571247979 953288010 /nfs/dbraw/zinc/28/80/10/953288010.db2.gz KINNLQHGVMBKIM-NJAFHUGGSA-N 1 0 384.484 1.715 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCOC1 ZINC001571247950 953288161 /nfs/dbraw/zinc/28/81/61/953288161.db2.gz JDPHTRWCXWXIFE-YWZLYKJASA-N 1 0 384.484 1.622 20 0 GDADRO CC(C)(O)CC(=O)N1CCC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571248107 953289837 /nfs/dbraw/zinc/28/98/37/953289837.db2.gz MBAFQXSZCHUESM-DOTOQJQBSA-N 1 0 384.484 1.451 20 0 GDADRO C[C@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571248283 953291243 /nfs/dbraw/zinc/29/12/43/953291243.db2.gz PMIHRCBLVJERQQ-PBHICJAKSA-N 1 0 384.484 1.620 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC001571248303 953291580 /nfs/dbraw/zinc/29/15/80/953291580.db2.gz PXHJLZHEICMUQX-QZTJIDSGSA-N 1 0 384.484 1.859 20 0 GDADRO CO[C@H](C)C(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571248347 953292187 /nfs/dbraw/zinc/29/21/87/953292187.db2.gz RBUGFFUIADGKLR-FOIQADDNSA-N 1 0 384.484 1.716 20 0 GDADRO O=C(Cc1cscn1)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571248392 953292949 /nfs/dbraw/zinc/29/29/49/953292949.db2.gz SEXGBDOFNLBCJC-ZDUSSCGKSA-N 1 0 384.469 1.176 20 0 GDADRO C[C@H]1COCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248627 953295106 /nfs/dbraw/zinc/29/51/06/953295106.db2.gz WRNSJIAPVFAYTM-DIECFANBSA-N 1 0 384.484 1.524 20 0 GDADRO C[C@@H]1COCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248631 953295323 /nfs/dbraw/zinc/29/53/23/953295323.db2.gz WRNSJIAPVFAYTM-TXCZRRACSA-N 1 0 384.484 1.524 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001571250629 953312587 /nfs/dbraw/zinc/31/25/87/953312587.db2.gz REKAKMBLBPVLKR-CQSZACIVSA-N 1 0 384.488 1.397 20 0 GDADRO O=C(CC[NH+]1CCCCC1)N1CCCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001571252593 953331303 /nfs/dbraw/zinc/33/13/03/953331303.db2.gz QQNVWGVSYQULGV-UHFFFAOYSA-N 1 0 384.488 1.176 20 0 GDADRO O=C(NCC1C[NH+](CCOc2cccc(F)c2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571254299 953337939 /nfs/dbraw/zinc/33/79/39/953337939.db2.gz FMHQUJULRGZVCQ-UHFFFAOYSA-N 1 0 385.403 1.075 20 0 GDADRO O=C(N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1cnco1 ZINC001571254419 953338897 /nfs/dbraw/zinc/33/88/97/953338897.db2.gz GKHBVLVLTVABLD-NHYWBVRUSA-N 1 0 385.403 1.682 20 0 GDADRO O=C(N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1cocn1 ZINC001571255219 953346911 /nfs/dbraw/zinc/34/69/11/953346911.db2.gz MUSDBIFRNSZRKY-NHYWBVRUSA-N 1 0 385.403 1.682 20 0 GDADRO Cc1cnoc1C(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571255710 953354224 /nfs/dbraw/zinc/35/42/24/953354224.db2.gz SNPHJNPRHLHMNV-UHFFFAOYSA-N 1 0 385.403 1.695 20 0 GDADRO O=C(c1cncc(F)c1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571255780 953355576 /nfs/dbraw/zinc/35/55/76/953355576.db2.gz PKDRHRGJXLBUGX-CQSZACIVSA-N 1 0 385.378 1.544 20 0 GDADRO COC(=O)C1CC2(C1)C[N@H+](C[C@@H](O)CN(C)Cc1ccccc1)C[C@H]2C(=O)[O-] ZINC001593825115 955096054 /nfs/dbraw/zinc/09/60/54/955096054.db2.gz XUHMIJXXVSBYSJ-KQNFGGRRSA-N 1 0 390.480 1.065 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)c1ccccc1 ZINC000874382310 956121483 /nfs/dbraw/zinc/12/14/83/956121483.db2.gz GYXLOJPFDUNDBF-GOSISDBHSA-N 1 0 376.501 1.918 20 0 GDADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000874384231 956125823 /nfs/dbraw/zinc/12/58/23/956125823.db2.gz BOFMCFKCLZWTEN-UHFFFAOYSA-N 1 0 376.501 1.875 20 0 GDADRO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC1 ZINC001588922656 962404197 /nfs/dbraw/zinc/40/41/97/962404197.db2.gz WLRHVHXYTFJCHX-INIZCTEOSA-N 1 0 379.501 1.906 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000273679585 962791090 /nfs/dbraw/zinc/79/10/90/962791090.db2.gz KOKQEYGIPHKUFX-MRXNPFEDSA-N 1 0 383.514 1.421 20 0 GDADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1 ZINC000874417156 969395002 /nfs/dbraw/zinc/39/50/02/969395002.db2.gz GBMURRBHKHFRNB-DLBZAZTESA-N 1 0 380.533 1.831 20 0 GDADRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001603430556 973181204 /nfs/dbraw/zinc/18/12/04/973181204.db2.gz YEJINPFKNIMOOH-GOSISDBHSA-N 1 0 380.533 1.831 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)C(C)(C)CC(=O)[O-])cc2)CC1 ZINC001596442460 984136555 /nfs/dbraw/zinc/13/65/55/984136555.db2.gz VIKDCAMOJAEOHD-UHFFFAOYSA-N 1 0 376.501 1.952 20 0 GDADRO COc1cccc([C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C(=O)[O-])c1 ZINC001599655995 994581618 /nfs/dbraw/zinc/58/16/18/994581618.db2.gz BQBYRLYJBGTJSB-GOSISDBHSA-N 1 0 377.485 1.207 20 0 GDADRO COc1cccc(C[C@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])c1 ZINC001599668749 994773423 /nfs/dbraw/zinc/77/34/23/994773423.db2.gz AAWPCWXVOTUAJO-SFHVURJKSA-N 1 0 377.485 1.270 20 0 GDADRO CC1(C)C[NH+](Cc2c(C[N@@H+]3C[C@@H](O)C(C)(C)C3)cccc2C(=O)[O-])C[C@H]1O ZINC001593942962 996977740 /nfs/dbraw/zinc/97/77/40/996977740.db2.gz XEXFXRCKJGAWOW-QZTJIDSGSA-N 1 0 376.497 1.790 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C1 ZINC001594226755 998868762 /nfs/dbraw/zinc/86/87/62/998868762.db2.gz QVLIZSMFYOVWGZ-XDCWJTEKSA-N 1 0 380.533 1.578 20 0 GDADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000466914725 1126094442 /nfs/dbraw/zinc/09/44/42/1126094442.db2.gz ZBFSQFRBLVUOSQ-RBUKOAKNSA-N 1 0 377.510 1.418 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC001605269959 1126229641 /nfs/dbraw/zinc/22/96/41/1126229641.db2.gz PACSUOBEIFPZFH-HXUWFJFHSA-N 1 0 383.452 1.967 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000158431343 530532706 /nfs/dbraw/zinc/53/27/06/530532706.db2.gz UKGXITHSSWUMIY-CQSZACIVSA-N 1 0 388.559 1.542 20 0 GDADRO CN(CCC[NH3+])C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000158730440 530535570 /nfs/dbraw/zinc/53/55/70/530535570.db2.gz KZNPBWUTRYWXDD-UHFFFAOYSA-N 1 0 375.441 1.173 20 0 GDADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC[S@@](=O)C(C)(C)C)CC1 ZINC000158851619 530537057 /nfs/dbraw/zinc/53/70/57/530537057.db2.gz HCJHOFKXZSJUTN-DEOSSOPVSA-N 1 0 390.575 1.316 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000159110248 530539857 /nfs/dbraw/zinc/53/98/57/530539857.db2.gz SLAJXTUBUVEVEV-AWEZNQCLSA-N 1 0 390.575 1.644 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000161543004 530561433 /nfs/dbraw/zinc/56/14/33/530561433.db2.gz QAZWWGJDPGUVME-NEPJUHHUSA-N 1 0 394.269 1.821 20 0 GDADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000161729453 530563794 /nfs/dbraw/zinc/56/37/94/530563794.db2.gz DMMNDOBZSCFLNJ-LLVKDONJSA-N 1 0 381.278 1.595 20 0 GDADRO Cc1nc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)sc1Cc1ccc(F)cc1 ZINC000162981038 530572143 /nfs/dbraw/zinc/57/21/43/530572143.db2.gz KCWGEUOTWDXONA-ZDUSSCGKSA-N 1 0 385.486 1.882 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]([NH3+])C(C)(C)C)s1 ZINC000163294571 530574758 /nfs/dbraw/zinc/57/47/58/530574758.db2.gz XQRZXJFJKKECCJ-CQSZACIVSA-N 1 0 375.560 1.811 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCO1 ZINC000163244085 530575101 /nfs/dbraw/zinc/57/51/01/530575101.db2.gz FZCZNZAAKGNXKO-HUBLWGQQSA-N 1 0 396.285 1.377 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCCCc1ccc(Br)cc1F ZINC000163572328 530576115 /nfs/dbraw/zinc/57/61/15/530576115.db2.gz GEBPTYNYZMIHTE-CYBMUJFWSA-N 1 0 395.294 1.399 20 0 GDADRO C[C@@H](CNC(=O)CCn1cnc2ccc(Br)cc2c1=O)[NH+](C)C ZINC000025149195 530579892 /nfs/dbraw/zinc/57/98/92/530579892.db2.gz VIOIQHHDMDQKAR-NSHDSACASA-N 1 0 381.274 1.615 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1cccs1 ZINC000170799332 530589007 /nfs/dbraw/zinc/58/90/07/530589007.db2.gz CXXIBLUGKZZNIL-SWLSCSKDSA-N 1 0 380.495 1.197 20 0 GDADRO COCC[N@H+](C)CCNC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000171199411 530595728 /nfs/dbraw/zinc/59/57/28/530595728.db2.gz VXFSKZZYKWYOIB-UHFFFAOYSA-N 1 0 387.278 1.265 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000030496709 530599581 /nfs/dbraw/zinc/59/95/81/530599581.db2.gz RGGGAQNJWXZGCR-UHFFFAOYSA-N 1 0 380.495 1.290 20 0 GDADRO C[C@H](CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[N@H+](C)C1CC1 ZINC000171608489 530601237 /nfs/dbraw/zinc/60/12/37/530601237.db2.gz JNPMTIZMQWAODA-GFCCVEGCSA-N 1 0 388.921 1.400 20 0 GDADRO CC(C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000030994748 530601687 /nfs/dbraw/zinc/60/16/87/530601687.db2.gz MBIKYHAPNVXYAC-UHFFFAOYSA-N 1 0 389.905 1.640 20 0 GDADRO CC(=O)Nc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000171841994 530604161 /nfs/dbraw/zinc/60/41/61/530604161.db2.gz ODUUFOFJPYXDRX-UHFFFAOYSA-N 1 0 375.441 1.999 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NCc2cc(F)ccc2Br)CC1=O ZINC000172052576 530607492 /nfs/dbraw/zinc/60/74/92/530607492.db2.gz VRBVBTWCKYNKKF-GFCCVEGCSA-N 1 0 386.265 1.615 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)C(C)(C)C ZINC000172110037 530607939 /nfs/dbraw/zinc/60/79/39/530607939.db2.gz FKOHKXFIYBSMMB-GFCCVEGCSA-N 1 0 376.548 1.561 20 0 GDADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)CC1 ZINC000172172375 530609305 /nfs/dbraw/zinc/60/93/05/530609305.db2.gz BHVVOHCFNIJRAJ-VWLOTQADSA-N 1 0 385.917 1.710 20 0 GDADRO C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000033093314 530611498 /nfs/dbraw/zinc/61/14/98/530611498.db2.gz PNJUPWVGVWTPCO-ZDUSSCGKSA-N 1 0 387.933 1.807 20 0 GDADRO C[C@H](CNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)[NH+](C)C ZINC000033093961 530611631 /nfs/dbraw/zinc/61/16/31/530611631.db2.gz CJZSDNCMIFZRSI-GFCCVEGCSA-N 1 0 388.921 1.202 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000041718219 530623747 /nfs/dbraw/zinc/62/37/47/530623747.db2.gz WMTIXXURAFEEKB-UHFFFAOYSA-N 1 0 383.290 1.141 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](CSc2ccccc2)C1 ZINC000174143175 530644084 /nfs/dbraw/zinc/64/40/84/530644084.db2.gz KWINFAXIGSNHEA-OWCLPIDISA-N 1 0 382.551 1.792 20 0 GDADRO Cn1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1cccc(Br)c1)CC2 ZINC000172791280 530617663 /nfs/dbraw/zinc/61/76/63/530617663.db2.gz DXNIZYCKOMEZOC-UHFFFAOYSA-N 1 0 391.269 1.930 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000176355487 530681758 /nfs/dbraw/zinc/68/17/58/530681758.db2.gz JDTAMSRZYWJVNQ-ZDUSSCGKSA-N 1 0 381.523 1.907 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174303752 530645896 /nfs/dbraw/zinc/64/58/96/530645896.db2.gz LVCKCNZFZGRVQQ-QWHCGFSZSA-N 1 0 385.302 1.914 20 0 GDADRO O[C@H](C[NH2+]C1CCOCC1)COc1ccc(I)cc1 ZINC000174340944 530647249 /nfs/dbraw/zinc/64/72/49/530647249.db2.gz NPHSWJNPAQCRJM-CYBMUJFWSA-N 1 0 377.222 1.800 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1sccc1S(=O)(=O)N1CCCC1 ZINC000046993063 530654578 /nfs/dbraw/zinc/65/45/78/530654578.db2.gz QIKCBKYIXAVIJV-UONOGXRCSA-N 1 0 383.539 1.889 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000047527355 530660272 /nfs/dbraw/zinc/66/02/72/530660272.db2.gz QRKIYJRCUDNEGE-UHFFFAOYSA-N 1 0 377.242 1.355 20 0 GDADRO CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000047717656 530662683 /nfs/dbraw/zinc/66/26/83/530662683.db2.gz SWJJBIYBOOFSDF-UHFFFAOYSA-N 1 0 389.905 1.641 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000048758726 530670774 /nfs/dbraw/zinc/67/07/74/530670774.db2.gz ABADUMWPTKPPAC-GFCCVEGCSA-N 1 0 387.221 1.440 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000049195659 530672560 /nfs/dbraw/zinc/67/25/60/530672560.db2.gz AWFCFHXIUHOIFZ-AWEZNQCLSA-N 1 0 376.548 1.322 20 0 GDADRO O=C(C[NH2+]C1(CO)CCCC1)NCC(=O)Nc1ccccc1Br ZINC000175996075 530674804 /nfs/dbraw/zinc/67/48/04/530674804.db2.gz KQGGSUFSAUQAKZ-UHFFFAOYSA-N 1 0 384.274 1.399 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000052875239 530688934 /nfs/dbraw/zinc/68/89/34/530688934.db2.gz NXYLPYPCDMKJPF-UHFFFAOYSA-N 1 0 379.935 1.575 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000176858250 530693341 /nfs/dbraw/zinc/69/33/41/530693341.db2.gz KFPHTMKKNCFSLH-GFCCVEGCSA-N 1 0 383.543 1.768 20 0 GDADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000053698879 530695730 /nfs/dbraw/zinc/69/57/30/530695730.db2.gz VIMVTKKFNWEFIS-ZDUSSCGKSA-N 1 0 389.543 1.123 20 0 GDADRO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccc([S@](C)=O)cc1 ZINC000177211326 530699074 /nfs/dbraw/zinc/69/90/74/530699074.db2.gz AADQZBMELPRRHB-VWLOTQADSA-N 1 0 379.404 1.634 20 0 GDADRO C[NH+]1CCN(c2cc(CNS(=O)(=O)c3ccc(Cl)cc3)ccn2)CC1 ZINC000056070307 530714764 /nfs/dbraw/zinc/71/47/64/530714764.db2.gz GLHPFIFVLZKVOG-UHFFFAOYSA-N 1 0 380.901 1.965 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000179217790 530736947 /nfs/dbraw/zinc/73/69/47/530736947.db2.gz OIIXBCGGTAJLTB-CYBMUJFWSA-N 1 0 392.319 1.237 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000061036092 530738821 /nfs/dbraw/zinc/73/88/21/530738821.db2.gz BMZAZRNLEUEVHU-UHFFFAOYSA-N 1 0 377.894 1.594 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCCC[NH+]1CCCC1 ZINC000061547675 530741077 /nfs/dbraw/zinc/74/10/77/530741077.db2.gz YRTNXVLEUIFHEV-UHFFFAOYSA-N 1 0 385.555 1.677 20 0 GDADRO CN(CC(=O)Nc1cnn(CC[NH+](C)C)c1)C(=O)c1ccc(Br)o1 ZINC000061634996 530741606 /nfs/dbraw/zinc/74/16/06/530741606.db2.gz XARHLZTVDDBOER-UHFFFAOYSA-N 1 0 398.261 1.511 20 0 GDADRO C[NH+](C)CCOc1cc(CNC(=O)c2c[nH]c(=O)c(Br)c2)ccn1 ZINC000179494202 530742954 /nfs/dbraw/zinc/74/29/54/530742954.db2.gz YECPZRVXZOFMOE-UHFFFAOYSA-N 1 0 395.257 1.403 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000179508472 530743051 /nfs/dbraw/zinc/74/30/51/530743051.db2.gz FGAQLWYPXUOGBV-UHFFFAOYSA-N 1 0 381.274 1.773 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000178760326 530727245 /nfs/dbraw/zinc/72/72/45/530727245.db2.gz KKNAQDBOCOACBE-GJZGRUSLSA-N 1 0 380.286 1.922 20 0 GDADRO O=C(CCCS(=O)(=O)c1ccc(Br)cc1)NC[C@@H]1CCC[NH2+]1 ZINC000178760640 530727750 /nfs/dbraw/zinc/72/77/50/530727750.db2.gz QQBYTWXJRUCYCW-ZDUSSCGKSA-N 1 0 389.315 1.871 20 0 GDADRO Cn1cc(C[NH2+]CCc2cc(Cl)ccc2Br)c(=O)n(C)c1=O ZINC000178939245 530731494 /nfs/dbraw/zinc/73/14/94/530731494.db2.gz IMJSSZWWKYZEGR-UHFFFAOYSA-N 1 0 386.677 1.832 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000179554478 530744515 /nfs/dbraw/zinc/74/45/15/530744515.db2.gz UCYKXRUXUJHCHZ-UHFFFAOYSA-N 1 0 389.880 1.731 20 0 GDADRO C[NH+](C)CCOc1cc(C(=O)Nc2cc(Br)c[nH]c2=O)ccn1 ZINC000179917043 530752809 /nfs/dbraw/zinc/75/28/09/530752809.db2.gz CFYHJHKGYKWOHA-UHFFFAOYSA-N 1 0 381.230 1.725 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CNS(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000065497235 530754263 /nfs/dbraw/zinc/75/42/63/530754263.db2.gz QDOXWIQBIMXJEV-AWEZNQCLSA-N 1 0 385.486 1.585 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000180020203 530755079 /nfs/dbraw/zinc/75/50/79/530755079.db2.gz GWOAJSSSJYKTPK-JKSUJKDBSA-N 1 0 380.576 1.382 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000066127279 530758379 /nfs/dbraw/zinc/75/83/79/530758379.db2.gz ZDBRZUIZNFSEDY-ZDUSSCGKSA-N 1 0 375.922 1.855 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000066137874 530759395 /nfs/dbraw/zinc/75/93/95/530759395.db2.gz SSLZXJXGRNYUFM-LLVKDONJSA-N 1 0 381.951 1.869 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000063875087 530748100 /nfs/dbraw/zinc/74/81/00/530748100.db2.gz LFQWPXXFDDSCPU-ZDUSSCGKSA-N 1 0 385.486 1.876 20 0 GDADRO CN(CC(=O)N1CCCC[C@@H]1C[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000066948555 530770529 /nfs/dbraw/zinc/77/05/29/530770529.db2.gz IAWFLNZKSTWOIR-GFCCVEGCSA-N 1 0 393.962 1.965 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)C[C@@H]1C ZINC000180755574 530770601 /nfs/dbraw/zinc/77/06/01/530770601.db2.gz YFIZTNQFOCUKJD-NWDGAFQWSA-N 1 0 390.315 1.897 20 0 GDADRO Cn1cc(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)cn1 ZINC000066992909 530770907 /nfs/dbraw/zinc/77/09/07/530770907.db2.gz UVDOQUIJLCUIJP-CYBMUJFWSA-N 1 0 387.221 1.554 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)C[C@H]1C ZINC000180755559 530770906 /nfs/dbraw/zinc/77/09/06/530770906.db2.gz YFIZTNQFOCUKJD-VXGBXAGGSA-N 1 0 390.315 1.897 20 0 GDADRO COc1cc(Br)c(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc1OC ZINC000067005688 530771236 /nfs/dbraw/zinc/77/12/36/530771236.db2.gz CBYFMDYCSJKURH-UHFFFAOYSA-N 1 0 395.319 1.884 20 0 GDADRO CCOc1cc(C[NH2+][C@H](C)CO)cc(Br)c1OCC(=O)N(C)C ZINC000067223944 530774319 /nfs/dbraw/zinc/77/43/19/530774319.db2.gz QRDLSRLGXUVPBF-LLVKDONJSA-N 1 0 389.290 1.785 20 0 GDADRO O=C(CN1CC[NH+](CCCOCC(F)(F)F)CC1)NCc1cccs1 ZINC000067714903 530778109 /nfs/dbraw/zinc/77/81/09/530778109.db2.gz KEVXHCBWEXNKPB-UHFFFAOYSA-N 1 0 379.448 1.951 20 0 GDADRO CC[NH+](CC)CCCCNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000181347548 530782120 /nfs/dbraw/zinc/78/21/20/530782120.db2.gz KJEHLDICPRRDNU-UHFFFAOYSA-N 1 0 379.885 1.978 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000069502733 530797794 /nfs/dbraw/zinc/79/77/94/530797794.db2.gz DHQGCKDPRWPWTO-ZDUSSCGKSA-N 1 0 389.905 1.552 20 0 GDADRO NS(=O)(=O)c1cnc(NCC2([NH+]3CCSCC3)CCCCC2)s1 ZINC000069798430 530799626 /nfs/dbraw/zinc/79/96/26/530799626.db2.gz NHHXDIFHTCJGEV-UHFFFAOYSA-N 1 0 376.573 1.954 20 0 GDADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000182662993 530802655 /nfs/dbraw/zinc/80/26/55/530802655.db2.gz VWZAWNSBDFWBLT-CABCVRRESA-N 1 0 394.946 1.564 20 0 GDADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000071917772 530805221 /nfs/dbraw/zinc/80/52/21/530805221.db2.gz RGFCJJJQQJCBNS-SECBINFHSA-N 1 0 378.654 1.080 20 0 GDADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000068903338 530792286 /nfs/dbraw/zinc/79/22/86/530792286.db2.gz ZOOHSQBBHHCMFR-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)cc1Br ZINC000182066201 530794187 /nfs/dbraw/zinc/79/41/87/530794187.db2.gz PFXAFKJJHLHEAT-GHMZBOCLSA-N 1 0 386.290 1.701 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000184336383 530827202 /nfs/dbraw/zinc/82/72/02/530827202.db2.gz LQDSRJKJLNAZRW-UHFFFAOYSA-N 1 0 387.246 1.320 20 0 GDADRO CC[N@H+](CCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(C)C ZINC000102481041 530828197 /nfs/dbraw/zinc/82/81/97/530828197.db2.gz DXEGAIAPMKQXEX-UHFFFAOYSA-N 1 0 377.457 1.480 20 0 GDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000184744210 530831501 /nfs/dbraw/zinc/83/15/01/530831501.db2.gz DZKYKOKTYDSMKW-LLVKDONJSA-N 1 0 381.267 1.539 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185051531 530836051 /nfs/dbraw/zinc/83/60/51/530836051.db2.gz BGCQGWMWKAFDKD-MMWGEVLESA-N 1 0 386.315 1.825 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)COc1ccc(Br)cc1 ZINC000078780693 530807446 /nfs/dbraw/zinc/80/74/46/530807446.db2.gz GDHCKRUURJSPJH-UHFFFAOYSA-N 1 0 384.318 1.924 20 0 GDADRO CN(CCC[NH+]1CCN(C)CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000182953005 530807595 /nfs/dbraw/zinc/80/75/95/530807595.db2.gz RMJBEDUSWFBIGR-MRXNPFEDSA-N 1 0 383.334 1.545 20 0 GDADRO CCN(C)S(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000081183336 530807894 /nfs/dbraw/zinc/80/78/94/530807894.db2.gz QEYDQLINWZRZHU-UHFFFAOYSA-N 1 0 375.922 1.969 20 0 GDADRO C[C@@H](NC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)C(C)(C)C[NH+](C)C ZINC000085423117 530808754 /nfs/dbraw/zinc/80/87/54/530808754.db2.gz RJZQIEPOYMHJCO-HUUCEWRRSA-N 1 0 376.567 1.466 20 0 GDADRO NS(=O)(=O)CC1CCN(CCOc2ccccc2Br)CC1 ZINC000091704812 530809684 /nfs/dbraw/zinc/80/96/84/530809684.db2.gz NUVAHUMNNPGQSD-UHFFFAOYSA-N 1 0 377.304 1.828 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2Br)C1 ZINC000183341581 530813186 /nfs/dbraw/zinc/81/31/86/530813186.db2.gz XYIOPPNLAAXTDP-NWDGAFQWSA-N 1 0 378.288 1.356 20 0 GDADRO C[N@@H+](Cc1cnc2ccc(Br)cn12)C[C@H](O)CN1CCOCC1 ZINC000093583055 530814123 /nfs/dbraw/zinc/81/41/23/530814123.db2.gz MVPFFIHWUIIGJH-HNNXBMFYSA-N 1 0 383.290 1.222 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cnn2cc(Br)cnc12 ZINC000094157112 530816457 /nfs/dbraw/zinc/81/64/57/530816457.db2.gz WUQWLWUZLSESAA-UHFFFAOYSA-N 1 0 382.262 1.068 20 0 GDADRO C[N@@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000097405493 530820888 /nfs/dbraw/zinc/82/08/88/530820888.db2.gz VBSVLZQNUXCJOZ-ZDUSSCGKSA-N 1 0 380.286 1.966 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc4ncc(I)n4c3)C[C@@H]12 ZINC000185073224 530836650 /nfs/dbraw/zinc/83/66/50/530836650.db2.gz OZCFJFPCCZWYBP-YUSALJHKSA-N 1 0 396.232 1.748 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000098035844 530822150 /nfs/dbraw/zinc/82/21/50/530822150.db2.gz GNQINJNHCPENGK-TXEJJXNPSA-N 1 0 395.305 1.985 20 0 GDADRO C[N@@H+]1CCCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000098077798 530822979 /nfs/dbraw/zinc/82/29/79/530822979.db2.gz ALASUTLKVRLYBU-UHFFFAOYSA-N 1 0 380.242 1.209 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000185807991 530847045 /nfs/dbraw/zinc/84/70/45/530847045.db2.gz BDDSNCMEWNIIPZ-ZDUSSCGKSA-N 1 0 393.303 1.409 20 0 GDADRO COCC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@H](C)C(N)=O ZINC000106313014 530847600 /nfs/dbraw/zinc/84/76/00/530847600.db2.gz PGCRZUZTZDERCI-JTQLQIEISA-N 1 0 390.253 1.739 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NC3CC[NH+](C)CC3)s2)CC1 ZINC000106902411 530851645 /nfs/dbraw/zinc/85/16/45/530851645.db2.gz FEMFTNJECZPCEI-UHFFFAOYSA-N 1 0 385.555 1.993 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000186349961 530855701 /nfs/dbraw/zinc/85/57/01/530855701.db2.gz IUDZAGAOSGKQPQ-UHFFFAOYSA-N 1 0 397.547 1.938 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000108561714 530857997 /nfs/dbraw/zinc/85/79/97/530857997.db2.gz JLFMKHIHXMMHQC-CYBMUJFWSA-N 1 0 397.317 1.820 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)c3c[nH+]ccc3N)CC2)c(C)s1 ZINC000187542811 530874776 /nfs/dbraw/zinc/87/47/76/530874776.db2.gz HDZIEQSKVYDUMY-UHFFFAOYSA-N 1 0 380.495 1.489 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000109182009 530861681 /nfs/dbraw/zinc/86/16/81/530861681.db2.gz AYJITXGCMUOGLV-ZDUSSCGKSA-N 1 0 398.301 1.597 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000186931730 530865552 /nfs/dbraw/zinc/86/55/52/530865552.db2.gz ONAUVWLQAVTVLY-VXGBXAGGSA-N 1 0 388.295 1.637 20 0 GDADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000187293591 530870868 /nfs/dbraw/zinc/87/08/68/530870868.db2.gz OMICSSPSXWWENF-UHFFFAOYSA-N 1 0 380.461 1.316 20 0 GDADRO Cc1cc(Br)cc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000187324582 530871487 /nfs/dbraw/zinc/87/14/87/530871487.db2.gz BEUGIJSNLOFYGN-CYBMUJFWSA-N 1 0 390.347 1.672 20 0 GDADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000187333791 530871580 /nfs/dbraw/zinc/87/15/80/530871580.db2.gz CJSFTEOHRSYLMY-UHFFFAOYSA-N 1 0 380.461 1.270 20 0 GDADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185288529 530839328 /nfs/dbraw/zinc/83/93/28/530839328.db2.gz GGPYDXFIBOYQQK-DLBZAZTESA-N 1 0 386.539 1.672 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000185328874 530839937 /nfs/dbraw/zinc/83/99/37/530839937.db2.gz IFCFDKBDRHCAKT-CYBMUJFWSA-N 1 0 377.913 1.925 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000105326261 530841974 /nfs/dbraw/zinc/84/19/74/530841974.db2.gz WTLOTQHMINXFIK-HUUCEWRRSA-N 1 0 385.555 1.844 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000105325268 530842221 /nfs/dbraw/zinc/84/22/21/530842221.db2.gz ZCUJUKZZSKCYGA-GJZGRUSLSA-N 1 0 385.555 1.762 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000105776381 530845068 /nfs/dbraw/zinc/84/50/68/530845068.db2.gz WNWZJOSKOUVEBK-UHFFFAOYSA-N 1 0 380.286 1.922 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(I)c[nH]1 ZINC000115370201 530899615 /nfs/dbraw/zinc/89/96/15/530899615.db2.gz YGRCFHAFNSKGJM-NSHDSACASA-N 1 0 377.226 1.460 20 0 GDADRO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000188837355 530901772 /nfs/dbraw/zinc/90/17/72/530901772.db2.gz VEEUSVFIGYERIF-UHFFFAOYSA-N 1 0 388.287 1.017 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)CSc1nnnn1CC(F)(F)F)C(C)(C)C ZINC000116129380 530903199 /nfs/dbraw/zinc/90/31/99/530903199.db2.gz ZNDMRDTXHGWXEL-SNVBAGLBSA-N 1 0 382.456 1.810 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000188921126 530904289 /nfs/dbraw/zinc/90/42/89/530904289.db2.gz VKUIPQOJYQRXJO-UHFFFAOYSA-N 1 0 392.319 1.510 20 0 GDADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(C)(C)C ZINC000116372701 530904806 /nfs/dbraw/zinc/90/48/06/530904806.db2.gz MXARFOZCHCRCLY-HNNXBMFYSA-N 1 0 376.544 1.735 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)c3ncc(Br)s3)ccn2)CC1 ZINC000189129927 530907958 /nfs/dbraw/zinc/90/79/58/530907958.db2.gz HCAQGDYQKIXNPD-UHFFFAOYSA-N 1 0 396.314 1.982 20 0 GDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2F)CCO1 ZINC000116900220 530909682 /nfs/dbraw/zinc/90/96/82/530909682.db2.gz FBLJGPDEAOBXRE-SECBINFHSA-N 1 0 399.257 1.678 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCc2ccc(Br)cc21 ZINC000112472920 530881787 /nfs/dbraw/zinc/88/17/87/530881787.db2.gz AGQFLIASOZPWPI-LBPRGKRZSA-N 1 0 392.297 1.939 20 0 GDADRO CC[N@H+](C)CCNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000112925974 530886240 /nfs/dbraw/zinc/88/62/40/530886240.db2.gz SQEQXUACIISBHQ-UHFFFAOYSA-N 1 0 392.319 1.185 20 0 GDADRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc(I)cc1 ZINC000188140727 530886568 /nfs/dbraw/zinc/88/65/68/530886568.db2.gz QHNIJUWIRZJFAU-UHFFFAOYSA-N 1 0 382.267 1.910 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000188203485 530888458 /nfs/dbraw/zinc/88/84/58/530888458.db2.gz CWTMAQGEVPNLKK-UHFFFAOYSA-N 1 0 380.283 1.114 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000113301022 530889111 /nfs/dbraw/zinc/88/91/11/530889111.db2.gz FCZCAQJYZHIRMB-HNNXBMFYSA-N 1 0 387.571 1.970 20 0 GDADRO CN(CC(=O)N1CC[C@H](C[NH+](C)C)C1)C(=O)c1ccc(Br)s1 ZINC000113456196 530889779 /nfs/dbraw/zinc/88/97/79/530889779.db2.gz MINYJROLRUIKNM-LLVKDONJSA-N 1 0 388.331 1.993 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000113451495 530889908 /nfs/dbraw/zinc/88/99/08/530889908.db2.gz QTUQMMSTFDBMEM-LLVKDONJSA-N 1 0 389.315 1.876 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 ZINC000113454291 530890264 /nfs/dbraw/zinc/89/02/64/530890264.db2.gz GQQGKHNTVPBADD-AWEZNQCLSA-N 1 0 385.555 1.485 20 0 GDADRO C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[NH+]1CCCCCC1 ZINC000114176601 530893167 /nfs/dbraw/zinc/89/31/67/530893167.db2.gz ZSBQUFHFJHUNDH-AWEZNQCLSA-N 1 0 387.933 1.999 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000114198410 530893319 /nfs/dbraw/zinc/89/33/19/530893319.db2.gz UWVHRJQACMKZIU-LBPRGKRZSA-N 1 0 375.441 1.505 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CC[NH2+]1 ZINC000188437461 530894160 /nfs/dbraw/zinc/89/41/60/530894160.db2.gz RPDNGKCNIQBRSH-SECBINFHSA-N 1 0 392.308 1.868 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000190427178 530930157 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O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189796052 530921405 /nfs/dbraw/zinc/92/14/05/530921405.db2.gz HJILCIUNBQUSLG-UHFFFAOYSA-N 1 0 388.212 1.972 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189953839 530923236 /nfs/dbraw/zinc/92/32/36/530923236.db2.gz PEZRUFWATSDMIT-CYBMUJFWSA-N 1 0 379.448 1.706 20 0 GDADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000190174131 530925912 /nfs/dbraw/zinc/92/59/12/530925912.db2.gz WBNPTCXFHVFEAP-UHFFFAOYSA-N 1 0 394.310 1.422 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000191989891 530957899 /nfs/dbraw/zinc/95/78/99/530957899.db2.gz GKZLOJCRWVDUNA-GHMZBOCLSA-N 1 0 394.324 1.810 20 0 GDADRO C[NH2+]CCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000121201891 530952058 /nfs/dbraw/zinc/95/20/58/530952058.db2.gz KWICANBBPHLXCK-CYBMUJFWSA-N 1 0 387.267 1.924 20 0 GDADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Br)C1 ZINC000122757952 530975944 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CC(C)[C@@](C)(C[NH3+])NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000236819812 531040434 /nfs/dbraw/zinc/04/04/34/531040434.db2.gz VKHYIWXYEWWZFR-MRXNPFEDSA-N 1 0 381.274 1.649 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1Br ZINC000236765112 531040497 /nfs/dbraw/zinc/04/04/97/531040497.db2.gz NRVRGNQRZARGRG-ZDUSSCGKSA-N 1 0 390.303 1.732 20 0 GDADRO CCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000236924169 531040934 /nfs/dbraw/zinc/04/09/34/531040934.db2.gz IYCYVANEVITKPK-GFCCVEGCSA-N 1 0 394.324 1.954 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2c(F)cccc2Br)cn1 ZINC000128451751 531041223 /nfs/dbraw/zinc/04/12/23/531041223.db2.gz DHBOKHQRNPQHHY-UHFFFAOYSA-N 1 0 398.236 1.924 20 0 GDADRO CCOC(=O)C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000236864529 531041210 /nfs/dbraw/zinc/04/12/10/531041210.db2.gz YWCJCZAMLVRDRG-UONOGXRCSA-N 1 0 385.258 1.548 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000236988364 531041271 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C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000237234213 531044028 /nfs/dbraw/zinc/04/40/28/531044028.db2.gz DLUZVKFDAGKCOH-CQSZACIVSA-N 1 0 385.555 1.676 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000237199132 531044212 /nfs/dbraw/zinc/04/42/12/531044212.db2.gz OUWYYJUKKCNMQY-JTQLQIEISA-N 1 0 393.303 1.826 20 0 GDADRO COCC[NH2+]CCNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000237272092 531044512 /nfs/dbraw/zinc/04/45/12/531044512.db2.gz IGWHFTZYPFADNS-UHFFFAOYSA-N 1 0 387.278 1.313 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000237260332 531044832 /nfs/dbraw/zinc/04/48/32/531044832.db2.gz KKQLQRUEXZQWJB-CYBMUJFWSA-N 1 0 385.917 1.949 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000237336030 531045488 /nfs/dbraw/zinc/04/54/88/531045488.db2.gz XPFKWXOHDHVZCZ-GXFFZTMASA-N 1 0 377.304 1.258 20 0 GDADRO Cc1oc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1S(N)(=O)=O ZINC000129010167 531046216 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COc1ccc(Br)c(-c2nnn(C[C@@H](O)C[N@H+](C)C3CC3)n2)c1 ZINC000290537677 531239886 /nfs/dbraw/zinc/23/98/86/531239886.db2.gz DWAKVAOUVZJVIO-NSHDSACASA-N 1 0 382.262 1.566 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000520512692 531230031 /nfs/dbraw/zinc/23/00/31/531230031.db2.gz CDNFVEWTTPJLKK-UHFFFAOYSA-N 1 0 380.495 1.185 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000472451119 531230924 /nfs/dbraw/zinc/23/09/24/531230924.db2.gz VXMJOLMWHNZEPT-UHFFFAOYSA-N 1 0 399.333 1.875 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2csc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000265147261 531231480 /nfs/dbraw/zinc/23/14/80/531231480.db2.gz AIWSPOANKBMQBR-OCCSQVGLSA-N 1 0 389.543 1.262 20 0 GDADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000277008297 531248308 /nfs/dbraw/zinc/24/83/08/531248308.db2.gz XPXZZJYTQGFHFR-KBPBESRZSA-N 1 0 385.555 1.209 20 0 GDADRO [NH3+]CCOc1ccc(NC(=O)CCn2cc(Br)ccc2=O)cc1 ZINC000521610700 531248588 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OC[C@@H]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)O1 ZINC000292644899 531367675 /nfs/dbraw/zinc/36/76/75/531367675.db2.gz KOPKNOBILYDBLA-CVEARBPZSA-N 1 0 385.302 1.915 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000528659792 531370700 /nfs/dbraw/zinc/37/07/00/531370700.db2.gz YPROLMYGDWZZIR-GHMZBOCLSA-N 1 0 377.869 1.356 20 0 GDADRO CC1([NH+]2CCOCC2)CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000528726762 531372340 /nfs/dbraw/zinc/37/23/40/531372340.db2.gz LIXDNAAAPLEHKD-UHFFFAOYSA-N 1 0 387.933 1.674 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccccc2Cn2ccnc2)C[C@H]1[NH+](C)C ZINC000443053653 531384076 /nfs/dbraw/zinc/38/40/76/531384076.db2.gz VHWNRLZUWSPFCD-CVEARBPZSA-N 1 0 380.539 1.598 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccccc2Cn2ccnc2)C[C@H]1[NH+](C)C ZINC000443053660 531384247 /nfs/dbraw/zinc/38/42/47/531384247.db2.gz VHWNRLZUWSPFCD-HZPDHXFCSA-N 1 0 380.539 1.598 20 0 GDADRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC000481415345 531385053 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CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000480716634 531377180 /nfs/dbraw/zinc/37/71/80/531377180.db2.gz RCXMONAHWGOPCK-SNVBAGLBSA-N 1 0 392.499 1.330 20 0 GDADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)C1CCOCC1 ZINC000442861266 531378366 /nfs/dbraw/zinc/37/83/66/531378366.db2.gz MPFLGPKSILNRHZ-OAHLLOKOSA-N 1 0 378.441 1.274 20 0 GDADRO CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CSCCS3)c2)CC1 ZINC000266950809 531379210 /nfs/dbraw/zinc/37/92/10/531379210.db2.gz SPQZHSZQSRSAOY-INIZCTEOSA-N 1 0 379.551 1.790 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000293061520 531397978 /nfs/dbraw/zinc/39/79/78/531397978.db2.gz RGAILUSQCAMQBX-UHFFFAOYSA-N 1 0 377.532 1.458 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000293069473 531399058 /nfs/dbraw/zinc/39/90/58/531399058.db2.gz MWJJKLKWEPVLSW-OAHLLOKOSA-N 1 0 382.262 1.115 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000482519629 531399796 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CCN(CC)S(=O)(=O)CC(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000531297295 531408961 /nfs/dbraw/zinc/40/89/61/531408961.db2.gz OIVUSIKGUCMLAZ-UHFFFAOYSA-N 1 0 377.551 1.007 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000444163018 531395690 /nfs/dbraw/zinc/39/56/90/531395690.db2.gz AQZXXUPRXMGDMC-UHFFFAOYSA-N 1 0 391.559 1.336 20 0 GDADRO CCOCC(C)(C)[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000293235535 531410684 /nfs/dbraw/zinc/41/06/84/531410684.db2.gz KZHACYXQUUIYTI-AWEZNQCLSA-N 1 0 388.555 1.669 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000531578339 531412126 /nfs/dbraw/zinc/41/21/26/531412126.db2.gz VCWOACJSWZJIDH-AWEZNQCLSA-N 1 0 394.317 1.912 20 0 GDADRO COCCN(C(=O)N[C@@H](C)C[NH+]1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000483623856 531413045 /nfs/dbraw/zinc/41/30/45/531413045.db2.gz NBKNPPIMEJPEKN-JKSUJKDBSA-N 1 0 375.535 1.096 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(Br)cc2)CCSC1 ZINC000483965717 531415300 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GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(Br)c1 ZINC000447245770 531422113 /nfs/dbraw/zinc/42/21/13/531422113.db2.gz NUCHHXYAGBYHIP-UWVGGRQHSA-N 1 0 391.287 1.594 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293443262 531422400 /nfs/dbraw/zinc/42/24/00/531422400.db2.gz PBNVMATYISONDQ-HBNTYKKESA-N 1 0 386.315 1.839 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293462499 531422481 /nfs/dbraw/zinc/42/24/81/531422481.db2.gz QDQSEIOHSVZUQH-HIFRSBDPSA-N 1 0 383.539 1.286 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000447253010 531422859 /nfs/dbraw/zinc/42/28/59/531422859.db2.gz VMTGAFOQDGRGHF-NWDGAFQWSA-N 1 0 393.506 1.335 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413820987 531417728 /nfs/dbraw/zinc/41/77/28/531417728.db2.gz RHQOOQIPGLOUAE-GFCCVEGCSA-N 1 0 386.290 1.738 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cccnc3Br)C2)C1 ZINC000293474403 531423731 /nfs/dbraw/zinc/42/37/31/531423731.db2.gz VCHPQOQYJHIQHR-INIZCTEOSA-N 1 0 381.274 1.727 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000447259569 531423922 /nfs/dbraw/zinc/42/39/22/531423922.db2.gz XLMRWYNGQWQXFR-SWLSCSKDSA-N 1 0 375.516 1.196 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000532578010 531423950 /nfs/dbraw/zinc/42/39/50/531423950.db2.gz RDNQLTZSBQMGLT-XJFOESAGSA-N 1 0 385.555 1.726 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000447253780 531424069 /nfs/dbraw/zinc/42/40/69/531424069.db2.gz BRZPYFBHIMXNHI-RYUDHWBXSA-N 1 0 393.506 1.334 20 0 GDADRO CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2nc(CN3CCCCC3)cs2)C1 ZINC000533543193 531430656 /nfs/dbraw/zinc/43/06/56/531430656.db2.gz CPULVLQPCVFQSR-ZDUSSCGKSA-N 1 0 387.531 1.284 20 0 GDADRO CN(CCN1CCOCC1)C(=O)c1cccc(F)c1I ZINC000533544082 531430882 /nfs/dbraw/zinc/43/08/82/531430882.db2.gz TZMYDEAZPXFNKU-UHFFFAOYSA-N 1 0 392.212 1.835 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000293594361 531431449 /nfs/dbraw/zinc/43/14/49/531431449.db2.gz FQNXRTPUSMBVNZ-UHFFFAOYSA-N 1 0 388.555 1.630 20 0 GDADRO CCc1n[nH]c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1Br ZINC000279354676 531428304 /nfs/dbraw/zinc/42/83/04/531428304.db2.gz DCDVPEIAQQJEMC-UHFFFAOYSA-N 1 0 382.262 1.710 20 0 GDADRO CCCCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000534147510 531435098 /nfs/dbraw/zinc/43/50/98/531435098.db2.gz VPAVWIQXMOFXAU-RHSMWYFYSA-N 1 0 387.571 1.967 20 0 GDADRO O=C(CN1CCC(O)(C[NH+]2CCOCC2)CC1)NCc1ccc(Cl)s1 ZINC000359997426 531436794 /nfs/dbraw/zinc/43/67/94/531436794.db2.gz JJZWIZHNUIMHIL-UHFFFAOYSA-N 1 0 387.933 1.177 20 0 GDADRO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000267580933 531436786 /nfs/dbraw/zinc/43/67/86/531436786.db2.gz GKIGPSHDMMWVAF-GJZGRUSLSA-N 1 0 393.311 1.358 20 0 GDADRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414335583 531440816 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CO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1(C)C ZINC000414359422 531443546 /nfs/dbraw/zinc/44/35/46/531443546.db2.gz DNUBDWMIDCLHHA-QWHCGFSZSA-N 1 0 377.304 2.000 20 0 GDADRO C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C[NH+](C)C ZINC000293787909 531444571 /nfs/dbraw/zinc/44/45/71/531444571.db2.gz OMDMIOFZNFFRRM-SECBINFHSA-N 1 0 378.292 1.024 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1Cl ZINC000414364354 531444685 /nfs/dbraw/zinc/44/46/85/531444685.db2.gz YAPBNKQHAWQPIH-LLVKDONJSA-N 1 0 399.822 1.630 20 0 GDADRO C[NH+](C)CCCN(C(=O)CSCc1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000267699513 531445080 /nfs/dbraw/zinc/44/50/80/531445080.db2.gz PVMVMSDBFRIKAY-INIZCTEOSA-N 1 0 385.555 1.282 20 0 GDADRO C[NH+](C)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sccc1F ZINC000414453446 531452914 /nfs/dbraw/zinc/45/29/14/531452914.db2.gz CWUASKCUPCFDQY-NSHDSACASA-N 1 0 384.520 1.017 20 0 GDADRO Cn1cc(C[NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)n(C)c1=O ZINC000293962603 531454833 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Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)CS(C)(=O)=O)cc1Br ZINC000449598831 531473605 /nfs/dbraw/zinc/47/36/05/531473605.db2.gz JFLFYQQESJFMGD-OCCSQVGLSA-N 1 0 378.332 1.931 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 ZINC000415309443 531473717 /nfs/dbraw/zinc/47/37/17/531473717.db2.gz SIKIEUFNWOOCAO-UHFFFAOYSA-N 1 0 394.273 1.607 20 0 GDADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415312441 531473732 /nfs/dbraw/zinc/47/37/32/531473732.db2.gz STGKSFGWNMVECF-LBPRGKRZSA-N 1 0 378.401 1.185 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000449710785 531474456 /nfs/dbraw/zinc/47/44/56/531474456.db2.gz BNQCXZDGKFQSOK-YPMHNXCESA-N 1 0 393.285 1.793 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449720160 531474518 /nfs/dbraw/zinc/47/45/18/531474518.db2.gz MNWRCOXMSNUFKC-GZMMTYOYSA-N 1 0 387.811 1.403 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000449729453 531474953 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GDADRO CC1(C)[NH2+]CC[C@H]1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000449753920 531476480 /nfs/dbraw/zinc/47/64/80/531476480.db2.gz PBSBROTZDOXAEP-CYBMUJFWSA-N 1 0 389.315 1.621 20 0 GDADRO O=C(Nc1cnn(-c2ccccc2Br)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415336084 531476709 /nfs/dbraw/zinc/47/67/09/531476709.db2.gz QRABHUUVPBKTDV-SNVBAGLBSA-N 1 0 378.230 1.051 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000415344779 531476928 /nfs/dbraw/zinc/47/69/28/531476928.db2.gz OGBXWOGPPLWRJV-SNVBAGLBSA-N 1 0 387.221 1.358 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000267866735 531458172 /nfs/dbraw/zinc/45/81/72/531458172.db2.gz KKLSCJZXXKOTTM-CQSZACIVSA-N 1 0 392.543 1.034 20 0 GDADRO O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000362279735 531458432 /nfs/dbraw/zinc/45/84/32/531458432.db2.gz MHCIXUYIMFLSOF-UHFFFAOYSA-N 1 0 383.539 1.748 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000279892601 531459671 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CCN(CCC[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000449084285 531466628 /nfs/dbraw/zinc/46/66/28/531466628.db2.gz GFOLPBLCMYJJBK-CQSZACIVSA-N 1 0 376.544 1.455 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000415193371 531466803 /nfs/dbraw/zinc/46/68/03/531466803.db2.gz WOFZIBLEBTYBML-LBPRGKRZSA-N 1 0 382.408 1.632 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(I)cc1 ZINC000449206174 531467395 /nfs/dbraw/zinc/46/73/95/531467395.db2.gz ADCYBOLCTGROJB-CYBMUJFWSA-N 1 0 394.278 1.805 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363020829 531467619 /nfs/dbraw/zinc/46/76/19/531467619.db2.gz VTVDGLGJFQNNAD-ZIAGYGMSSA-N 1 0 385.917 1.751 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC(=O)NC1 ZINC000449135774 531467732 /nfs/dbraw/zinc/46/77/32/531467732.db2.gz RKARJTXLDFXEML-GXFFZTMASA-N 1 0 384.274 1.331 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000415195092 531468325 /nfs/dbraw/zinc/46/83/25/531468325.db2.gz ZVOLPDFQKYKXNT-NSHDSACASA-N 1 0 380.392 1.353 20 0 GDADRO CN(CCn1cc(Br)cn1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415220721 531468352 /nfs/dbraw/zinc/46/83/52/531468352.db2.gz DRZANNLXBJTRRC-UHFFFAOYSA-N 1 0 380.246 1.201 20 0 GDADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000415348470 531477652 /nfs/dbraw/zinc/47/76/52/531477652.db2.gz KQKXJARCLXZJKK-NSHDSACASA-N 1 0 384.274 1.995 20 0 GDADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCCn2cc(Br)cn2)cc1 ZINC000415220402 531468484 /nfs/dbraw/zinc/46/84/84/531468484.db2.gz XDCXTXSFTNUCAT-SNVBAGLBSA-N 1 0 380.246 1.420 20 0 GDADRO CCn1nnc(C)c1C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000449306072 531469107 /nfs/dbraw/zinc/46/91/07/531469107.db2.gz JKURSTODQZLYBO-UHFFFAOYSA-N 1 0 375.857 1.467 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](CCO)c1ccccc1Br ZINC000542910678 531477725 /nfs/dbraw/zinc/47/77/25/531477725.db2.gz XURXUQRAIALMAP-XJKSGUPXSA-N 1 0 385.302 1.957 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000415271277 531470304 /nfs/dbraw/zinc/47/03/04/531470304.db2.gz RRWYIRKFSFZVOF-UHFFFAOYSA-N 1 0 388.237 1.875 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000280078503 531471097 /nfs/dbraw/zinc/47/10/97/531471097.db2.gz JFBVXVCZAMQCIN-UHFFFAOYSA-N 1 0 381.274 1.592 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415288963 531471945 /nfs/dbraw/zinc/47/19/45/531471945.db2.gz AKMCZDOVVRJQRB-UHFFFAOYSA-N 1 0 381.601 1.348 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000449480211 531472197 /nfs/dbraw/zinc/47/21/97/531472197.db2.gz XWASLYVFYUVEHD-UHFFFAOYSA-N 1 0 388.555 1.630 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(I)c2)C1 ZINC000415298428 531472437 /nfs/dbraw/zinc/47/24/37/531472437.db2.gz LNLYLAIYEYFXPM-NSHDSACASA-N 1 0 387.221 1.358 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)C1 ZINC000415297118 531472887 /nfs/dbraw/zinc/47/28/87/531472887.db2.gz ULSNNMCSLMHXQY-SNVBAGLBSA-N 1 0 382.251 1.736 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)C1 ZINC000415358602 531478585 /nfs/dbraw/zinc/47/85/85/531478585.db2.gz ULSNNMCSLMHXQY-JTQLQIEISA-N 1 0 382.251 1.736 20 0 GDADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)NCC[NH2+]C ZINC000415362128 531479046 /nfs/dbraw/zinc/47/90/46/531479046.db2.gz OQDRPPQHYLRTTE-UHFFFAOYSA-N 1 0 378.654 1.775 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415360405 531479068 /nfs/dbraw/zinc/47/90/68/531479068.db2.gz MBQHVUXAGIGDKH-UHFFFAOYSA-N 1 0 379.052 1.486 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)NC[C@H](C)C[NH3+])c1 ZINC000415360272 531479096 /nfs/dbraw/zinc/47/90/96/531479096.db2.gz LRRUNCFHJBITCO-MRVPVSSYSA-N 1 0 391.209 1.794 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)C1 ZINC000415365194 531479203 /nfs/dbraw/zinc/47/92/03/531479203.db2.gz UATRRNLEMGZSSD-LLVKDONJSA-N 1 0 392.257 1.381 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N2CC[NH2+]CC2)c1 ZINC000415360454 531479337 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O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415869506 531545991 /nfs/dbraw/zinc/54/59/91/531545991.db2.gz RLAQACPRRQMZKF-SNVBAGLBSA-N 1 0 393.241 1.040 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccc(I)cc1 ZINC000415863614 531546138 /nfs/dbraw/zinc/54/61/38/531546138.db2.gz UXKZBYUGIGQIOU-UHFFFAOYSA-N 1 0 387.221 1.488 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415864632 531546398 /nfs/dbraw/zinc/54/63/98/531546398.db2.gz MTFXJYAFSBINNA-SSDOTTSWSA-N 1 0 394.628 1.285 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415868916 531546958 /nfs/dbraw/zinc/54/69/58/531546958.db2.gz MNQUFCFGOGZBGK-NEPJUHHUSA-N 1 0 393.285 1.728 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415871038 531547808 /nfs/dbraw/zinc/54/78/08/531547808.db2.gz UQRVWOHYLCADGF-SNVBAGLBSA-N 1 0 377.775 1.027 20 0 GDADRO Cc1cccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1Br ZINC000659484281 531547597 /nfs/dbraw/zinc/54/75/97/531547597.db2.gz IVAFNXRWJZVTIS-UHFFFAOYSA-N 1 0 380.246 1.711 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415870599 531548095 /nfs/dbraw/zinc/54/80/95/531548095.db2.gz PDLWRSUQYPFOJC-LLVKDONJSA-N 1 0 398.257 1.433 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415875858 531548141 /nfs/dbraw/zinc/54/81/41/531548141.db2.gz DYZZMKWIVLLHLA-UHFFFAOYSA-N 1 0 381.601 1.300 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415870283 531548373 /nfs/dbraw/zinc/54/83/73/531548373.db2.gz OTPWEXGEKWGNCD-SNVBAGLBSA-N 1 0 387.221 1.488 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415873078 531548396 /nfs/dbraw/zinc/54/83/96/531548396.db2.gz XXSCEGZROKHROM-JTQLQIEISA-N 1 0 377.388 1.226 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2CCc3c2cccc3Br)n1 ZINC000659449568 531548912 /nfs/dbraw/zinc/54/89/12/531548912.db2.gz JWCJFGALXOHURP-CYBMUJFWSA-N 1 0 392.257 1.890 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1sc(S(N)(=O)=O)c(C)c1Cl ZINC000280851219 531549281 /nfs/dbraw/zinc/54/92/81/531549281.db2.gz WEPZGPPGHNUJKB-UHFFFAOYSA-N 1 0 383.923 1.055 20 0 GDADRO C[NH2+]Cc1ccccc1NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000415903514 531550480 /nfs/dbraw/zinc/55/04/80/531550480.db2.gz QLRRWBFZYRGHPA-GFCCVEGCSA-N 1 0 382.408 1.350 20 0 GDADRO Cn1c2ccc(C[NH2+]C[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)cc2sc1=O ZINC000552190150 531552189 /nfs/dbraw/zinc/55/21/89/531552189.db2.gz ZJTTYSDWMZJKDY-KBPBESRZSA-N 1 0 383.539 1.798 20 0 GDADRO O=C(NCc1cc(Br)ccn1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415956974 531552466 /nfs/dbraw/zinc/55/24/66/531552466.db2.gz SLDRVPQRVZUEIG-UHFFFAOYSA-N 1 0 392.261 1.365 20 0 GDADRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000280737139 531532971 /nfs/dbraw/zinc/53/29/71/531532971.db2.gz LXLQFBNUKDKPAU-AWEZNQCLSA-N 1 0 387.221 1.427 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1)[C@H](C)[NH3+] ZINC000415794062 531533234 /nfs/dbraw/zinc/53/32/34/531533234.db2.gz VLDWSCDBEHHQDM-VHSXEESVSA-N 1 0 380.246 1.425 20 0 GDADRO CC[C@@H]1CN(C(=O)NC2CC[NH+](CCCOC)CC2)C[C@@H](C)S1(=O)=O ZINC000557869662 531533649 /nfs/dbraw/zinc/53/36/49/531533649.db2.gz UBIUHMXYESKIJQ-GDBMZVCRSA-N 1 0 375.535 1.094 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CCCC1 ZINC000659682837 531553197 /nfs/dbraw/zinc/55/31/97/531553197.db2.gz OROVUIRGFJKNTK-CYBMUJFWSA-N 1 0 396.285 1.777 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc(OC)c1Br ZINC000415815850 531535342 /nfs/dbraw/zinc/53/53/42/531535342.db2.gz LZDQJQJOWGAYQT-KOLCDFICSA-N 1 0 398.257 1.225 20 0 GDADRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280752649 531535648 /nfs/dbraw/zinc/53/56/48/531535648.db2.gz PYYMUTBPWYALQH-VIFPVBQESA-N 1 0 399.332 1.182 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ncc1Br ZINC000415816844 531536167 /nfs/dbraw/zinc/53/61/67/531536167.db2.gz HQUIRWLMYAQCIW-OLZOCXBDSA-N 1 0 395.301 1.939 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ncc1Br ZINC000415816843 531536176 /nfs/dbraw/zinc/53/61/76/531536176.db2.gz HQUIRWLMYAQCIW-CHWSQXEVSA-N 1 0 395.301 1.939 20 0 GDADRO O=C(NCC1(c2ccccc2Br)CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659697053 531555318 /nfs/dbraw/zinc/55/53/18/531555318.db2.gz JPICYOLEEUEIMY-UHFFFAOYSA-N 1 0 392.297 1.465 20 0 GDADRO CC[NH+](CC)CCNC(=O)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000558348515 531555968 /nfs/dbraw/zinc/55/59/68/531555968.db2.gz OPWPXXSXBQNZQM-HNNXBMFYSA-N 1 0 376.567 1.420 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H]1CCC[NH2+]CC1)C2 ZINC000659721345 531556561 /nfs/dbraw/zinc/55/65/61/531556561.db2.gz HNZYBLDDEWWEJW-ZDUSSCGKSA-N 1 0 380.286 1.858 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000451167793 531559095 /nfs/dbraw/zinc/55/90/95/531559095.db2.gz AGIWXCNUHKYJNF-JKSUJKDBSA-N 1 0 379.517 1.854 20 0 GDADRO CS(=O)(=O)CCS(=O)(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000364381308 531559169 /nfs/dbraw/zinc/55/91/69/531559169.db2.gz FRDCVMASGWWKMW-DLBZAZTESA-N 1 0 388.555 1.033 20 0 GDADRO Cn1cc(Br)c(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000492054356 531560129 /nfs/dbraw/zinc/56/01/29/531560129.db2.gz LXVGSAWIXFGATH-KGLIPLIRSA-N 1 0 393.285 1.548 20 0 GDADRO C[C@@]1(NC(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[NH2+]C1 ZINC000612874868 531560486 /nfs/dbraw/zinc/56/04/86/531560486.db2.gz HEERRNNZLCMQLS-MRXNPFEDSA-N 1 0 383.290 1.620 20 0 GDADRO CCOC(=O)CC1(S(=O)(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000451177300 531561799 /nfs/dbraw/zinc/56/17/99/531561799.db2.gz VASMCMAMIZAKRY-UHFFFAOYSA-N 1 0 376.519 1.281 20 0 GDADRO Cn1[nH]c(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)nc1=O ZINC000451184544 531562479 /nfs/dbraw/zinc/56/24/79/531562479.db2.gz BJBQZQUQUBMNEH-LBPRGKRZSA-N 1 0 398.248 1.778 20 0 GDADRO CC1(C)CN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000416172925 531564586 /nfs/dbraw/zinc/56/45/86/531564586.db2.gz ZCEPSHPQSGEYJK-UHFFFAOYSA-N 1 0 389.315 1.823 20 0 GDADRO CC(C)O[C@]1(CS(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCOC1 ZINC000659892754 531565076 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CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000659703480 531554654 /nfs/dbraw/zinc/55/46/54/531554654.db2.gz AZAXYXOILBNHOR-CYBMUJFWSA-N 1 0 397.317 1.340 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000659702787 531554733 /nfs/dbraw/zinc/55/47/33/531554733.db2.gz UPEIPGQUTQXGPF-MYJAWHEDSA-N 1 0 377.329 1.819 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC000295392012 531571665 /nfs/dbraw/zinc/57/16/65/531571665.db2.gz QZRSMQLXMSXWCT-GFCCVEGCSA-N 1 0 398.301 1.108 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636683906 531573200 /nfs/dbraw/zinc/57/32/00/531573200.db2.gz BBUFRXZPAPCYND-ZDUSSCGKSA-N 1 0 399.289 1.062 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C[C@@]2(OC(C)C)CCOC2)C1 ZINC000659931203 531573755 /nfs/dbraw/zinc/57/37/55/531573755.db2.gz MPYIAAXOHIEZAG-ZWKOTPCHSA-N 1 0 376.563 1.858 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)C[C@@H]1C ZINC000451239663 531573802 /nfs/dbraw/zinc/57/38/02/531573802.db2.gz XENZZTZYDHRHSL-GOEBONIOSA-N 1 0 388.555 1.725 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000558647258 531574802 /nfs/dbraw/zinc/57/48/02/531574802.db2.gz BTAQZDBHINDHIQ-LBPRGKRZSA-N 1 0 388.331 1.927 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)CC(=O)N(C)C)s1 ZINC000268824379 531574889 /nfs/dbraw/zinc/57/48/89/531574889.db2.gz ASMMVDJRAVIIFB-CYBMUJFWSA-N 1 0 375.560 1.778 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000583440267 531575837 /nfs/dbraw/zinc/57/58/37/531575837.db2.gz VIEUHWNFQAOJCB-JTQLQIEISA-N 1 0 383.392 1.107 20 0 GDADRO Cc1c(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cccc1S(N)(=O)=O ZINC000583494107 531578944 /nfs/dbraw/zinc/57/89/44/531578944.db2.gz LMBCLEROHNNBGQ-UHFFFAOYSA-N 1 0 380.495 1.818 20 0 GDADRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268863020 531579429 /nfs/dbraw/zinc/57/94/29/531579429.db2.gz ZFDFASJHZMBLCM-LLVKDONJSA-N 1 0 376.425 1.616 20 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O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614505066 531597895 /nfs/dbraw/zinc/59/78/95/531597895.db2.gz ILQJYYXJNBAESV-NSHDSACASA-N 1 0 394.273 1.151 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCC2(F)F)CCN1C1CC[NH+](C)CC1 ZINC000451356509 531596713 /nfs/dbraw/zinc/59/67/13/531596713.db2.gz AZWPDCWRAKJJPS-HUUCEWRRSA-N 1 0 379.517 1.852 20 0 GDADRO COc1ccc(CCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(Br)c1 ZINC000614512846 531597096 /nfs/dbraw/zinc/59/70/96/531597096.db2.gz SIQYZNWGNSQSFK-OAHLLOKOSA-N 1 0 396.329 1.896 20 0 GDADRO CC(C)[NH+](CCNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC000364854406 531601366 /nfs/dbraw/zinc/60/13/66/531601366.db2.gz KNMRCDLUHDJDTK-WBVHZDCISA-N 1 0 375.535 1.141 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c(I)cnn2C)C[C@H]1C ZINC000494479109 531606775 /nfs/dbraw/zinc/60/67/75/531606775.db2.gz JQCLSYDKODLRKX-NXEZZACHSA-N 1 0 376.242 1.579 20 0 GDADRO C[C@H](CNC(=O)C1(c2cncc(Br)c2)CC1)N1CC[NH+](C)CC1 ZINC000281346955 531607255 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GDADRO COC(=O)CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000364958463 531609759 /nfs/dbraw/zinc/60/97/59/531609759.db2.gz HKQNQIQNUVFTPQ-HRCADAONSA-N 1 0 376.519 1.233 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000584057953 531609844 /nfs/dbraw/zinc/60/98/44/531609844.db2.gz BRFACMDJGCVGMG-BXKDBHETSA-N 1 0 380.388 1.898 20 0 GDADRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000494541758 531610264 /nfs/dbraw/zinc/61/02/64/531610264.db2.gz HQPRTIBPCWDQOQ-HNNXBMFYSA-N 1 0 385.917 1.705 20 0 GDADRO Cc1oc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000281419801 531615562 /nfs/dbraw/zinc/61/55/62/531615562.db2.gz ZWNHFPMSSVLPCV-ZDUSSCGKSA-N 1 0 383.495 1.864 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000559920103 531613448 /nfs/dbraw/zinc/61/34/48/531613448.db2.gz XJLIJXDDHHNUHD-XBFCOCLRSA-N 1 0 375.307 1.747 20 0 GDADRO Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc(Br)cc1S(N)(=O)=O ZINC000269137520 531614202 /nfs/dbraw/zinc/61/42/02/531614202.db2.gz VGVGDOSDGRPFQX-VXGBXAGGSA-N 1 0 390.303 1.405 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)CC[N@@H+](C2CC2)C1 ZINC000295721104 531617211 /nfs/dbraw/zinc/61/72/11/531617211.db2.gz QLHDHGMBARLQIX-SECBINFHSA-N 1 0 377.919 1.605 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc2ncc(I)n2c1 ZINC000269182815 531620133 /nfs/dbraw/zinc/62/01/33/531620133.db2.gz AHIYDBSCXXQGNN-UHFFFAOYSA-N 1 0 386.237 1.996 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)COC ZINC000295744940 531620168 /nfs/dbraw/zinc/62/01/68/531620168.db2.gz PDQFLONNJVHNNB-GXFFZTMASA-N 1 0 375.263 1.059 20 0 GDADRO O=C1CN(CCC[NH2+]Cc2cc(Br)ccc2OC(F)F)CCN1 ZINC000584420717 531619270 /nfs/dbraw/zinc/61/92/70/531619270.db2.gz RREJFHBMMCWHDQ-UHFFFAOYSA-N 1 0 392.244 1.962 20 0 GDADRO C[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000269208242 531623120 /nfs/dbraw/zinc/62/31/20/531623120.db2.gz ORJMISQROXDCCZ-HTQZYQBOSA-N 1 0 396.332 1.276 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCc2c1cccc2Br ZINC000637373523 531622172 /nfs/dbraw/zinc/62/21/72/531622172.db2.gz SDAYXAIYUGHYQK-HNNXBMFYSA-N 1 0 395.301 1.861 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c1OC ZINC000560060362 531622661 /nfs/dbraw/zinc/62/26/61/531622661.db2.gz PRWFLNULLCKXNS-UHFFFAOYSA-N 1 0 390.889 1.898 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000660636700 531624739 /nfs/dbraw/zinc/62/47/39/531624739.db2.gz AISYJQHKXBJGKE-SMDDNHRTSA-N 1 0 375.300 1.572 20 0 GDADRO CN(C(=O)c1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCC[N@H+](C)C1 ZINC000281494830 531624538 /nfs/dbraw/zinc/62/45/38/531624538.db2.gz HOVRTHLRBUXEPF-NSHDSACASA-N 1 0 390.303 1.263 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)N1CC[C@H](O)[C@@H](CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000637475656 531625694 /nfs/dbraw/zinc/62/56/94/531625694.db2.gz VUJILKDYAWFMGH-KCXAZCMYSA-N 1 0 390.311 1.981 20 0 GDADRO COc1cc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1Cl ZINC000416462767 531626716 /nfs/dbraw/zinc/62/67/16/531626716.db2.gz SITOOHRFBACTRJ-CYBMUJFWSA-N 1 0 376.906 1.720 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC[C@H]([NH3+])C(C)C ZINC000269233866 531626825 /nfs/dbraw/zinc/62/68/25/531626825.db2.gz BCPMDPGLVNYNNV-JKSUJKDBSA-N 1 0 387.571 1.495 20 0 GDADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000451524253 531630730 /nfs/dbraw/zinc/63/07/30/531630730.db2.gz CDARHLWXDWDMEB-YNEHKIRRSA-N 1 0 386.436 1.759 20 0 GDADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000269259125 531630842 /nfs/dbraw/zinc/63/08/42/531630842.db2.gz IQAFNIBIAORYCU-LLVKDONJSA-N 1 0 384.321 1.261 20 0 GDADRO CCn1ccnc1CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000295826442 531627282 /nfs/dbraw/zinc/62/72/82/531627282.db2.gz UPTQXKYEYYRQDV-UHFFFAOYSA-N 1 0 386.271 1.999 20 0 GDADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000495095007 531627770 /nfs/dbraw/zinc/62/77/70/531627770.db2.gz UKCUSDKKPHMSFP-CQSZACIVSA-N 1 0 388.559 1.200 20 0 GDADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)CCOCC2CCCC2)CC1 ZINC000416465057 531628136 /nfs/dbraw/zinc/62/81/36/531628136.db2.gz KGVVJYGQWQQOFD-UHFFFAOYSA-N 1 0 375.579 1.529 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000495285806 531629501 /nfs/dbraw/zinc/62/95/01/531629501.db2.gz ZLMIYTPXPJWOHF-CQSZACIVSA-N 1 0 385.555 1.540 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000637798700 531634269 /nfs/dbraw/zinc/63/42/69/531634269.db2.gz PCHXJKHGECPMOD-IXDOHACOSA-N 1 0 378.314 1.746 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000637692227 531631318 /nfs/dbraw/zinc/63/13/18/531631318.db2.gz BIYQKSMNHRFWJM-DOMZBBRYSA-N 1 0 395.301 1.631 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)C2)s1 ZINC000269270028 531632030 /nfs/dbraw/zinc/63/20/30/531632030.db2.gz LZXQLSYIGAZJGN-AEGPPILISA-N 1 0 385.555 1.653 20 0 GDADRO C[C@@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ncc(Br)cn1 ZINC000661237032 531646349 /nfs/dbraw/zinc/64/63/49/531646349.db2.gz UWOXIILEUNOGLL-BXUZGUMPSA-N 1 0 398.305 1.853 20 0 GDADRO C[C@H]1C[C@H](NC(=O)NCCNC(=O)c2ccc(Br)cn2)CC[N@@H+]1C ZINC000660858397 531635199 /nfs/dbraw/zinc/63/51/99/531635199.db2.gz JVIGDKBOJFWMNB-WCQYABFASA-N 1 0 398.305 1.356 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1Cl ZINC000269285279 531635300 /nfs/dbraw/zinc/63/53/00/531635300.db2.gz SDCWTACURFPYBX-OCCSQVGLSA-N 1 0 389.905 1.769 20 0 GDADRO CC(C)C[NH+]1CCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000637861758 531636120 /nfs/dbraw/zinc/63/61/20/531636120.db2.gz LCPICMTVDINKKX-UHFFFAOYSA-N 1 0 390.347 1.870 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(-n3cc(Br)cn3)nn2)C[C@@H]1C ZINC000498571538 531636725 /nfs/dbraw/zinc/63/67/25/531636725.db2.gz KHAFAICCJJIPER-RYUDHWBXSA-N 1 0 393.289 1.980 20 0 GDADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637881386 531639054 /nfs/dbraw/zinc/63/90/54/531639054.db2.gz ICGGYJHMKCNAQU-WCQYABFASA-N 1 0 379.766 1.872 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CCO1 ZINC000638173609 531647798 /nfs/dbraw/zinc/64/77/98/531647798.db2.gz ZIKNXYUNUDJENW-CABCVRRESA-N 1 0 396.285 1.126 20 0 GDADRO [NH3+][C@@H]1CC=C(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000637882536 531639961 /nfs/dbraw/zinc/63/99/61/531639961.db2.gz GZCBNSJXVHNUTQ-LLVKDONJSA-N 1 0 375.903 1.282 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000269307355 531640885 /nfs/dbraw/zinc/64/08/85/531640885.db2.gz ZGTGFXNIMJBMMM-ZDUSSCGKSA-N 1 0 381.274 1.649 20 0 GDADRO Cn1nnnc1CC[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638854143 531668120 /nfs/dbraw/zinc/66/81/20/531668120.db2.gz REXHKVHZVCDYPW-LSDHHAIUSA-N 1 0 379.306 1.940 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000638183629 531648368 /nfs/dbraw/zinc/64/83/68/531648368.db2.gz VNWRCLNMZZVEFS-KBMXLJTQSA-N 1 0 387.933 1.671 20 0 GDADRO O=C(c1cc(Br)c2nccn2c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638227203 531649472 /nfs/dbraw/zinc/64/94/72/531649472.db2.gz NWZPCOYLZFOJAA-ZDUSSCGKSA-N 1 0 378.274 1.217 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000499830082 531649641 /nfs/dbraw/zinc/64/96/41/531649641.db2.gz XSFSBCFKKZNWLA-MRXNPFEDSA-N 1 0 387.571 1.425 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCCCCS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000560523150 531652211 /nfs/dbraw/zinc/65/22/11/531652211.db2.gz NPXQAXMUQKZOBM-CQSZACIVSA-N 1 0 376.910 1.311 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000269363813 531653625 /nfs/dbraw/zinc/65/36/25/531653625.db2.gz WKUBFCZGOPRAPO-GFCCVEGCSA-N 1 0 393.506 1.350 20 0 GDADRO O=C([C@H]1SCCc2sccc21)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638482291 531654715 /nfs/dbraw/zinc/65/47/15/531654715.db2.gz QGEGFMIQEJDZER-HNNXBMFYSA-N 1 0 380.539 1.248 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000500169242 531656394 /nfs/dbraw/zinc/65/63/94/531656394.db2.gz FQFPTPGVHOCKRT-AWEZNQCLSA-N 1 0 388.559 1.542 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000451664895 531660186 /nfs/dbraw/zinc/66/01/86/531660186.db2.gz COKRUDCHTUCWHG-ZDUSSCGKSA-N 1 0 391.331 1.883 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000560663390 531660311 /nfs/dbraw/zinc/66/03/11/531660311.db2.gz TXGFGDOOWLWVFP-GFCCVEGCSA-N 1 0 396.285 1.427 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000638618713 531660542 /nfs/dbraw/zinc/66/05/42/531660542.db2.gz BWIVJWIIZVQARE-WFASDCNBSA-N 1 0 386.279 1.703 20 0 GDADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000281780105 531661127 /nfs/dbraw/zinc/66/11/27/531661127.db2.gz MXXAULGQTMTSAV-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO Cn1cc(Br)c(C(=O)NCc2ccncc2OCC[NH+](C)C)n1 ZINC000560705832 531661767 /nfs/dbraw/zinc/66/17/67/531661767.db2.gz FDVACKYVRULXBW-UHFFFAOYSA-N 1 0 382.262 1.448 20 0 GDADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000451669458 531662132 /nfs/dbraw/zinc/66/21/32/531662132.db2.gz NHPKXDODBVFLHN-HNNXBMFYSA-N 1 0 380.432 1.972 20 0 GDADRO [NH3+]CC1(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CCOCC1 ZINC000638636710 531662304 /nfs/dbraw/zinc/66/23/04/531662304.db2.gz GCAIJXHEFHPVQD-GFCCVEGCSA-N 1 0 396.285 1.426 20 0 GDADRO [NH3+]CC1(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CCOCC1 ZINC000638634711 531662339 /nfs/dbraw/zinc/66/23/39/531662339.db2.gz JLHOTNYDJVAUEL-LLVKDONJSA-N 1 0 386.279 1.970 20 0 GDADRO [NH3+]CC1(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCOCC1 ZINC000638635632 531663057 /nfs/dbraw/zinc/66/30/57/531663057.db2.gz SXRAZDIAVZSICV-LBPRGKRZSA-N 1 0 386.279 1.970 20 0 GDADRO Cc1c(C(=O)N(C)CCOCC[NH3+])cnn1-c1ccc(Br)cc1 ZINC000638678520 531664459 /nfs/dbraw/zinc/66/44/59/531664459.db2.gz QOWXJLGLGIWIPR-UHFFFAOYSA-N 1 0 381.274 1.991 20 0 GDADRO CN(CCOCC[NH3+])C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638678714 531664833 /nfs/dbraw/zinc/66/48/33/531664833.db2.gz OQJMNKHHNBZWKT-AWEZNQCLSA-N 1 0 384.274 1.236 20 0 GDADRO CCC[N@H+](C)[C@@H](CNC(=O)CNS(=O)(=O)CC)c1ccc(Cl)cc1 ZINC000560973523 531673422 /nfs/dbraw/zinc/67/34/22/531673422.db2.gz OPOGZMCPSYATBS-HNNXBMFYSA-N 1 0 375.922 1.778 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(OCC(F)(F)F)nc3)C[C@@H]21 ZINC000365699094 531674080 /nfs/dbraw/zinc/67/40/80/531674080.db2.gz CLDIXJFIBVOLLB-KGYLQXTDSA-N 1 0 379.404 1.771 20 0 GDADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638908654 531674542 /nfs/dbraw/zinc/67/45/42/531674542.db2.gz HILXVZYCIGLASC-HUBLWGQQSA-N 1 0 380.286 1.776 20 0 GDADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CNS(=O)(=O)CC ZINC000618173868 531674726 /nfs/dbraw/zinc/67/47/26/531674726.db2.gz CLDDYQFPFMZLJA-UHFFFAOYSA-N 1 0 389.949 1.950 20 0 GDADRO CS[C@H]1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000296256855 531674750 /nfs/dbraw/zinc/67/47/50/531674750.db2.gz LSQSPHRFCCTMHT-HNNXBMFYSA-N 1 0 383.539 1.847 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000638939715 531675690 /nfs/dbraw/zinc/67/56/90/531675690.db2.gz SOWZWHFAQYHAGW-GXSJLCMTSA-N 1 0 390.303 1.261 20 0 GDADRO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000281889768 531676053 /nfs/dbraw/zinc/67/60/53/531676053.db2.gz GZDRQMXNTCGOCZ-JTQLQIEISA-N 1 0 390.303 1.298 20 0 GDADRO Cc1cc(NC(=O)c2cc3c(s2)CC[NH2+]C3)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000662400756 531676301 /nfs/dbraw/zinc/67/63/01/531676301.db2.gz DQPAMTQSWPXGHB-LBPRGKRZSA-N 1 0 380.495 1.511 20 0 GDADRO [NH3+]C1(CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000662439048 531679543 /nfs/dbraw/zinc/67/95/43/531679543.db2.gz HILIBFSPOWJVGC-UHFFFAOYSA-N 1 0 392.308 1.708 20 0 GDADRO CC(C)Oc1cc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)ccc1Br ZINC000638975157 531679791 /nfs/dbraw/zinc/67/97/91/531679791.db2.gz XBHYVLGMCONBFI-LBPRGKRZSA-N 1 0 393.303 1.937 20 0 GDADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000561117915 531681757 /nfs/dbraw/zinc/68/17/57/531681757.db2.gz CDMQGFRJZDUZCL-CYBMUJFWSA-N 1 0 387.933 1.977 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCO[C@@H]1C[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000662514507 531682377 /nfs/dbraw/zinc/68/23/77/531682377.db2.gz LUVMIXJNQSXXHQ-AMJWSMQMSA-N 1 0 385.258 1.761 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc(Br)cc3c2OCC3)CCCO1 ZINC000561186763 531683504 /nfs/dbraw/zinc/68/35/04/531683504.db2.gz YXMQVNJHJBBRPZ-AWEZNQCLSA-N 1 0 384.274 1.643 20 0 GDADRO N[C@@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1Br ZINC000662570172 531689319 /nfs/dbraw/zinc/68/93/19/531689319.db2.gz HIRHFAAPQHQJEY-IUODEOHRSA-N 1 0 382.302 1.663 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000296345998 531685152 /nfs/dbraw/zinc/68/51/52/531685152.db2.gz RMXGURYLENDBDI-GFCCVEGCSA-N 1 0 394.946 1.848 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000662545628 531686875 /nfs/dbraw/zinc/68/68/75/531686875.db2.gz PBAPZGXHOOFSGC-CABCVRRESA-N 1 0 396.285 1.097 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000662545630 531687250 /nfs/dbraw/zinc/68/72/50/531687250.db2.gz PBAPZGXHOOFSGC-GJZGRUSLSA-N 1 0 396.285 1.097 20 0 GDADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662732090 531694340 /nfs/dbraw/zinc/69/43/40/531694340.db2.gz JWUQOWMYAAHRGQ-CABCVRRESA-N 1 0 382.302 1.755 20 0 GDADRO N[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1Br ZINC000662717345 531694474 /nfs/dbraw/zinc/69/44/74/531694474.db2.gz OAGDGJLJMFDJQK-OAGGEKHMSA-N 1 0 382.302 1.507 20 0 GDADRO CS(=O)(=O)N1CCC(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC000639565483 531695605 /nfs/dbraw/zinc/69/56/05/531695605.db2.gz JUFHQHXGJVBNNF-UHFFFAOYSA-N 1 0 385.917 1.459 20 0 GDADRO NC(=O)C[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000639578533 531696460 /nfs/dbraw/zinc/69/64/60/531696460.db2.gz APMBDIHWLKDBKQ-GOEBONIOSA-N 1 0 391.295 1.993 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2cccc(Br)c2)CC1(C)C ZINC000282053794 531697565 /nfs/dbraw/zinc/69/75/65/531697565.db2.gz PYLMZHVLOGMMDB-UHFFFAOYSA-N 1 0 397.317 1.530 20 0 GDADRO Cc1ncc(CNC(=O)CC[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)s1 ZINC000639641574 531698419 /nfs/dbraw/zinc/69/84/19/531698419.db2.gz KBPPFKQBPHWMBG-CQSZACIVSA-N 1 0 388.559 1.061 20 0 GDADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C(=O)N(C)CCC[NH3+] ZINC000662930822 531699319 /nfs/dbraw/zinc/69/93/19/531699319.db2.gz WDGHSTLLKPTBNQ-CQSZACIVSA-N 1 0 398.301 1.928 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCC12CC(C1)C[NH2+]2 ZINC000662923343 531699442 /nfs/dbraw/zinc/69/94/42/531699442.db2.gz LQVDXTJTTHZYDI-UHFFFAOYSA-N 1 0 378.281 1.140 20 0 GDADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000296508354 531699600 /nfs/dbraw/zinc/69/96/00/531699600.db2.gz PKKGHMIDAYBQPX-HIFRSBDPSA-N 1 0 390.299 1.802 20 0 GDADRO O=C(NCc1n[nH]cc1Br)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000561249015 531689851 /nfs/dbraw/zinc/68/98/51/531689851.db2.gz CCHUMQDASHVXIO-FZMZJTMJSA-N 1 0 398.305 1.169 20 0 GDADRO C[C@@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)[C@H](C)[NH3+] ZINC000662569338 531689973 /nfs/dbraw/zinc/68/99/73/531689973.db2.gz YDGNTIXNVLVCBP-WDEREUQCSA-N 1 0 381.274 1.372 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000662566330 531690007 /nfs/dbraw/zinc/69/00/07/531690007.db2.gz DMTWFRXZSYUKDX-CYBMUJFWSA-N 1 0 381.274 1.374 20 0 GDADRO CS[C@H](C)C(=O)N(CCNC(=O)[C@H](C)SC)CC[NH+]1CCCCC1 ZINC000561286155 531691288 /nfs/dbraw/zinc/69/12/88/531691288.db2.gz JDPJMHXCYQACID-LSDHHAIUSA-N 1 0 375.604 1.920 20 0 GDADRO COCCOC[C@H](O)CN(C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000296403500 531691419 /nfs/dbraw/zinc/69/14/19/531691419.db2.gz WAARDEMXQXGILU-HUUCEWRRSA-N 1 0 390.274 1.619 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)[C@@H](CCSC)NS(=O)(=O)CC)CC1 ZINC000503269084 531692009 /nfs/dbraw/zinc/69/20/09/531692009.db2.gz NTDNOCHNHRTNES-OAHLLOKOSA-N 1 0 379.592 1.286 20 0 GDADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)C1 ZINC000639389356 531692844 /nfs/dbraw/zinc/69/28/44/531692844.db2.gz HXLAAVPUSXBJLK-SLBVQIDZSA-N 1 0 378.560 1.325 20 0 GDADRO COC(=O)c1[nH]c(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cc1C ZINC000590593496 531693747 /nfs/dbraw/zinc/69/37/47/531693747.db2.gz CMCJATNMJBLRCH-UHFFFAOYSA-N 1 0 385.511 1.856 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000269674655 531710208 /nfs/dbraw/zinc/71/02/08/531710208.db2.gz RSVPJLKZEARUPK-LLVKDONJSA-N 1 0 390.303 1.263 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCc3cc(Br)ccc32)n1 ZINC000662946063 531701203 /nfs/dbraw/zinc/70/12/03/531701203.db2.gz NADUEFLNKABLKJ-ZDUSSCGKSA-N 1 0 377.242 1.750 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000662959641 531701359 /nfs/dbraw/zinc/70/13/59/531701359.db2.gz KHXNBVUTKGPTDW-CYBMUJFWSA-N 1 0 381.523 1.607 20 0 GDADRO Cc1nc(-c2cccs2)c(CC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)s1 ZINC000662946566 531701808 /nfs/dbraw/zinc/70/18/08/531701808.db2.gz WYFPIHAQWWYMAR-UHFFFAOYSA-N 1 0 375.479 1.993 20 0 GDADRO C[C@]12C[N@H+](C[C@H](O)COc3ccc(Br)cc3)C[C@@]1(C)C(=O)NC2=O ZINC000639951491 531712037 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CCCOc1ccc(Br)cc1C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639846647 531706535 /nfs/dbraw/zinc/70/65/35/531706535.db2.gz PZMQBCPHUDJIDD-BETUJISGSA-N 1 0 384.274 1.257 20 0 GDADRO C[C@]12C[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)C[C@]1(C)C(=O)NC2=O ZINC000639948489 531710129 /nfs/dbraw/zinc/71/01/29/531710129.db2.gz GILZIFPQFKZZCU-YMRXKLBXSA-N 1 0 387.263 1.718 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1c(Cl)cccc1Br ZINC000282271180 531731721 /nfs/dbraw/zinc/73/17/21/531731721.db2.gz IEZURBPYPNEWSJ-GFCCVEGCSA-N 1 0 385.711 1.693 20 0 GDADRO COC(=O)c1cc(Br)cc(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000591241803 531712436 /nfs/dbraw/zinc/71/24/36/531712436.db2.gz XKUWSTYCFKTDEA-CQSZACIVSA-N 1 0 387.274 1.223 20 0 GDADRO COC[C@@](C)(CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000639955595 531713270 /nfs/dbraw/zinc/71/32/70/531713270.db2.gz PXTDYUIHQNTEDK-SMDDNHRTSA-N 1 0 382.682 1.829 20 0 GDADRO CC[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C[C@H](C)[NH2+]1 ZINC000620907577 531737704 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CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000562996683 531795406 /nfs/dbraw/zinc/79/54/06/531795406.db2.gz MLAYCOJTWULDJN-OLZOCXBDSA-N 1 0 397.324 1.747 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000417999188 531795473 /nfs/dbraw/zinc/79/54/73/531795473.db2.gz HWKUDAUCRXTXQA-CQSZACIVSA-N 1 0 386.290 1.678 20 0 GDADRO O=S(=O)(N[C@@H]1CCN(C2CC2)C1)c1cnn2cc(Br)cnc12 ZINC000641294604 531797047 /nfs/dbraw/zinc/79/70/47/531797047.db2.gz JPUIKZVDWKHKDC-SNVBAGLBSA-N 1 0 386.275 1.007 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1OC ZINC000282793933 531797778 /nfs/dbraw/zinc/79/77/78/531797778.db2.gz YZXHDTAYDZBDJP-ZFWWWQNUSA-N 1 0 388.511 1.148 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCCO[C@@H](C[NH3+])C3)nc12 ZINC000418015432 531797859 /nfs/dbraw/zinc/79/78/59/531797859.db2.gz DLVYWNDWJPOMRF-AWEZNQCLSA-N 1 0 396.289 1.664 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000418049593 531798989 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COc1cc(Br)ccc1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000418137797 531805725 /nfs/dbraw/zinc/80/57/25/531805725.db2.gz INVLDPPCHRUTDF-UHFFFAOYSA-N 1 0 385.306 1.552 20 0 GDADRO COCCOCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000269915990 531805776 /nfs/dbraw/zinc/80/57/76/531805776.db2.gz WYRRVHFJSMDIRL-UHFFFAOYSA-N 1 0 380.457 1.321 20 0 GDADRO C[NH2+]CCN(C)C(=O)NCCOc1ccc(I)cc1 ZINC000418151794 531806739 /nfs/dbraw/zinc/80/67/39/531806739.db2.gz GCQAXNVVJUPIJO-UHFFFAOYSA-N 1 0 377.226 1.531 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)NCCOc2ccc(I)cc2)C1 ZINC000418153102 531807579 /nfs/dbraw/zinc/80/75/79/531807579.db2.gz IHLJJINYSJWRAV-GFCCVEGCSA-N 1 0 389.237 1.673 20 0 GDADRO C[C@@H]1CN(C(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C[C@H]1[NH3+] ZINC000418159552 531808519 /nfs/dbraw/zinc/80/85/19/531808519.db2.gz DMYVMHCGQOKWEQ-NOZJJQNGSA-N 1 0 379.404 1.598 20 0 GDADRO CS(=O)(=O)c1cc(CNC(=O)N2CCC[C@@H]([NH3+])C2)cc(C(F)(F)F)c1 ZINC000418157439 531809540 /nfs/dbraw/zinc/80/95/40/531809540.db2.gz 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LNNMRZFTUDPZLS-GXTWGEPZSA-N 1 0 388.921 1.224 20 0 GDADRO CC[NH2+]CCNC(=O)NCC(=O)Nc1ccc(I)cc1 ZINC000418178531 531814597 /nfs/dbraw/zinc/81/45/97/531814597.db2.gz YQZRCQZOGFHSCH-UHFFFAOYSA-N 1 0 390.225 1.138 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000515863109 531815063 /nfs/dbraw/zinc/81/50/63/531815063.db2.gz ILDOHDPOUCQXIK-JOYOIKCWSA-N 1 0 375.288 1.884 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000515863110 531815122 /nfs/dbraw/zinc/81/51/22/531815122.db2.gz ILDOHDPOUCQXIK-SKDRFNHKSA-N 1 0 375.288 1.884 20 0 GDADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(=O)NC ZINC000453407366 531815094 /nfs/dbraw/zinc/81/50/94/531815094.db2.gz PPLBPYRXCZEXNA-GZMMTYOYSA-N 1 0 378.292 1.272 20 0 GDADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669592628 531815728 /nfs/dbraw/zinc/81/57/28/531815728.db2.gz VNUWYWGEIWJOQQ-XJKSGUPXSA-N 1 0 385.917 1.897 20 0 GDADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000418214524 531815670 /nfs/dbraw/zinc/81/56/70/531815670.db2.gz LTXVBWUDGFHYPK-UGFHNGPFSA-N 1 0 382.302 1.952 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000418224671 531816158 /nfs/dbraw/zinc/81/61/58/531816158.db2.gz ZSJIXAVACOCXKX-CYBMUJFWSA-N 1 0 375.256 1.691 20 0 GDADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669592626 531816255 /nfs/dbraw/zinc/81/62/55/531816255.db2.gz VNUWYWGEIWJOQQ-CJNGLKHVSA-N 1 0 385.917 1.897 20 0 GDADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000418227961 531816307 /nfs/dbraw/zinc/81/63/07/531816307.db2.gz DJHNOPBNXBNPJQ-CQSZACIVSA-N 1 0 389.905 1.182 20 0 GDADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418227959 531816716 /nfs/dbraw/zinc/81/67/16/531816716.db2.gz DJHNOPBNXBNPJQ-AWEZNQCLSA-N 1 0 389.905 1.182 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000563168962 531816994 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CC(C)C[N@H+](C)CCCNC(=O)c1c(I)cnn1C ZINC000593207039 531822444 /nfs/dbraw/zinc/82/24/44/531822444.db2.gz WPTVASFBEQCITJ-UHFFFAOYSA-N 1 0 378.258 1.732 20 0 GDADRO O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)NC[C@H]1CCC[NH2+]1 ZINC000418381784 531823054 /nfs/dbraw/zinc/82/30/54/531823054.db2.gz XYNRMLPNTLVZCU-IUODEOHRSA-N 1 0 388.281 1.790 20 0 GDADRO CN(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000367231215 531823059 /nfs/dbraw/zinc/82/30/59/531823059.db2.gz NLGMFJQBOLHFTQ-RRFJBIMHSA-N 1 0 375.535 1.503 20 0 GDADRO O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)NC[C@@H]1CCC[NH2+]1 ZINC000418381786 531823833 /nfs/dbraw/zinc/82/38/33/531823833.db2.gz XYNRMLPNTLVZCU-WFASDCNBSA-N 1 0 388.281 1.790 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000418395385 531824188 /nfs/dbraw/zinc/82/41/88/531824188.db2.gz SMNMEVKNPFFNDF-CYBMUJFWSA-N 1 0 397.317 1.772 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)NCC(C)(C)[NH3+] ZINC000418416606 531825144 /nfs/dbraw/zinc/82/51/44/531825144.db2.gz QZSKKDIDGHHOLE-NSHDSACASA-N 1 0 388.306 1.645 20 0 GDADRO [NH3+][C@H](CNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1CC1 ZINC000418482213 531826086 /nfs/dbraw/zinc/82/60/86/531826086.db2.gz ALVTXDYWODOWQM-OAHLLOKOSA-N 1 0 386.905 1.093 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)NC[C@H](C)C[NH3+] ZINC000418493354 531826226 /nfs/dbraw/zinc/82/62/26/531826226.db2.gz QTBLVLYBJTYGDQ-VXGBXAGGSA-N 1 0 388.306 1.503 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000297838372 531826540 /nfs/dbraw/zinc/82/65/40/531826540.db2.gz LOSAGTAMUOWQNS-SFHVURJKSA-N 1 0 394.313 1.962 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000283082694 531826702 /nfs/dbraw/zinc/82/67/02/531826702.db2.gz HQALKXPHLMPFJF-SWLSCSKDSA-N 1 0 390.253 1.634 20 0 GDADRO C[C@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000418507474 531828340 /nfs/dbraw/zinc/82/83/40/531828340.db2.gz BNOAPNPACXFIJT-SNVBAGLBSA-N 1 0 395.312 1.357 20 0 GDADRO CS(=O)(=O)NC1CC([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000670271608 531828974 /nfs/dbraw/zinc/82/89/74/531828974.db2.gz YTICGKQTAZJDRN-UHFFFAOYSA-N 1 0 385.917 1.614 20 0 GDADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670408595 531829774 /nfs/dbraw/zinc/82/97/74/531829774.db2.gz RYBCZVYOZJUMDT-ZIAGYGMSSA-N 1 0 382.302 1.723 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2csc(I)c2)C1 ZINC000517402902 531819863 /nfs/dbraw/zinc/81/98/63/531819863.db2.gz JUZIWQCWHZHCJH-JTQLQIEISA-N 1 0 380.251 1.803 20 0 GDADRO O=C(NCCc1cccc(Br)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000418279374 531820271 /nfs/dbraw/zinc/82/02/71/531820271.db2.gz KQDTXDKKOAMEHV-MRXNPFEDSA-N 1 0 381.318 1.681 20 0 GDADRO [NH3+]CCCNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000418313659 531821319 /nfs/dbraw/zinc/82/13/19/531821319.db2.gz RCBOASKDVQRMIC-UHFFFAOYSA-N 1 0 395.312 1.358 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)NCCC[NH3+] ZINC000418311543 531821603 /nfs/dbraw/zinc/82/16/03/531821603.db2.gz 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CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418728188 531835944 /nfs/dbraw/zinc/83/59/44/531835944.db2.gz PXUUWELTAAWPDA-NXEZZACHSA-N 1 0 391.335 1.894 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418733271 531836205 /nfs/dbraw/zinc/83/62/05/531836205.db2.gz RGHYVYBUXCIGOC-RISCZKNCSA-N 1 0 376.270 1.776 20 0 GDADRO CC[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000624337355 531836976 /nfs/dbraw/zinc/83/69/76/531836976.db2.gz ITDUMWXDDCSRJL-ZFWWWQNUSA-N 1 0 375.922 1.355 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000418753766 531837709 /nfs/dbraw/zinc/83/77/09/531837709.db2.gz DHCLFUYLNRFIHO-SWLSCSKDSA-N 1 0 375.300 1.620 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000624375141 531838713 /nfs/dbraw/zinc/83/87/13/531838713.db2.gz HCAKWPOJFZIELO-LBPRGKRZSA-N 1 0 380.436 1.839 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000418774091 531838830 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GDADRO CC[NH2+][C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000418595303 531831498 /nfs/dbraw/zinc/83/14/98/531831498.db2.gz WCZKVDAZXAWXEQ-CYBMUJFWSA-N 1 0 388.921 1.354 20 0 GDADRO CCc1cnc(CN(C)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000418608450 531831628 /nfs/dbraw/zinc/83/16/28/531831628.db2.gz DTUKMUPAXXMBEB-LBPRGKRZSA-N 1 0 379.452 1.683 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000367374965 531831754 /nfs/dbraw/zinc/83/17/54/531831754.db2.gz OEAHTFNDDJYBNP-QWRGUYRKSA-N 1 0 398.232 1.204 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000418834098 531849727 /nfs/dbraw/zinc/84/97/27/531849727.db2.gz OBIJPGKISOOQSP-QPKOPYBWSA-N 1 0 380.286 1.678 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418836552 531850450 /nfs/dbraw/zinc/85/04/50/531850450.db2.gz UWKHGNHDHKFBQA-REJLFOLJSA-N 1 0 380.286 1.617 20 0 GDADRO O=C(c1ccc(I)cc1F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594386217 531851040 /nfs/dbraw/zinc/85/10/40/531851040.db2.gz NQBTVXKUAAPVFL-WDEREUQCSA-N 1 0 390.196 1.321 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H](C)Cc2cccc(Br)c2)C1 ZINC000418846303 531852446 /nfs/dbraw/zinc/85/24/46/531852446.db2.gz RDWVEMNTNIEODM-YRGRVCCFSA-N 1 0 382.302 1.692 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418847898 531853079 /nfs/dbraw/zinc/85/30/79/531853079.db2.gz WZEDDQNZCUZJJH-OSAQELSMSA-N 1 0 382.302 1.740 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000418846254 531853447 /nfs/dbraw/zinc/85/34/47/531853447.db2.gz QWLNJBXNXXCDDW-DOMZBBRYSA-N 1 0 398.301 1.073 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418852123 531853868 /nfs/dbraw/zinc/85/38/68/531853868.db2.gz GTDUZMBZMMOEQT-UHFFFAOYSA-N 1 0 380.286 1.800 20 0 GDADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418848681 531854483 /nfs/dbraw/zinc/85/44/83/531854483.db2.gz ZQLTUNSJQPJYST-CYBMUJFWSA-N 1 0 393.285 1.457 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000563568806 531854804 /nfs/dbraw/zinc/85/48/04/531854804.db2.gz WJAJEBWBKVLLQZ-CHWSQXEVSA-N 1 0 383.290 1.315 20 0 GDADRO [NH3+]C/C=C/CNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000641864270 531854916 /nfs/dbraw/zinc/85/49/16/531854916.db2.gz BIDQVRHBUDTBFY-OWOJBTEDSA-N 1 0 392.934 1.322 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418848634 531854930 /nfs/dbraw/zinc/85/49/30/531854930.db2.gz ZKEVWLJFIPHLSH-LALPHHSUSA-N 1 0 382.302 1.753 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000418852606 531854941 /nfs/dbraw/zinc/85/49/41/531854941.db2.gz VMCKZQKRYDQUKG-PWSUYJOCSA-N 1 0 386.265 1.443 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000418849933 531855015 /nfs/dbraw/zinc/85/50/15/531855015.db2.gz PJVHTWXCOTZROR-LBPRGKRZSA-N 1 0 386.265 1.315 20 0 GDADRO CN1CCc2ccc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc21 ZINC000624390570 531840391 /nfs/dbraw/zinc/84/03/91/531840391.db2.gz DNRQUUBIMOTLIO-GXTWGEPZSA-N 1 0 377.432 1.827 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC[C@H]1C(F)(F)F ZINC000624389686 531840866 /nfs/dbraw/zinc/84/08/66/531840866.db2.gz HVRLAAONNLOHMF-CMPLNLGQSA-N 1 0 380.388 1.606 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000418792499 531841193 /nfs/dbraw/zinc/84/11/93/531841193.db2.gz ZVOLZHCFDWCAIJ-QWRGUYRKSA-N 1 0 384.274 1.283 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000298023901 531842609 /nfs/dbraw/zinc/84/26/09/531842609.db2.gz XVOFGGWVMKXDMI-JSGCOSHPSA-N 1 0 398.301 1.943 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC000270218987 531843061 /nfs/dbraw/zinc/84/30/61/531843061.db2.gz MMRGTKWMEGFRBC-OAHLLOKOSA-N 1 0 386.539 1.443 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)C1 ZINC000418806696 531843318 /nfs/dbraw/zinc/84/33/18/531843318.db2.gz IJHYJQOJYCNBOM-IQMDTDKHSA-N 1 0 386.315 1.680 20 0 GDADRO C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C[NH2+]1 ZINC000624406558 531844073 /nfs/dbraw/zinc/84/40/73/531844073.db2.gz GDBIGRCXVSVXKA-CMPLNLGQSA-N 1 0 379.404 1.398 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418815821 531844587 /nfs/dbraw/zinc/84/45/87/531844587.db2.gz XIZKUGMGJQWNOY-GMTAPVOTSA-N 1 0 386.315 1.823 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N(C)CCOCC[NH3+])cc1Br ZINC000624409610 531844594 /nfs/dbraw/zinc/84/45/94/531844594.db2.gz ICVGXGFNWKFDBF-UHFFFAOYSA-N 1 0 397.291 1.062 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000641625256 531844826 /nfs/dbraw/zinc/84/48/26/531844826.db2.gz SWLATQPRVJZZRM-LSDHHAIUSA-N 1 0 388.555 1.831 20 0 GDADRO CCOC1(CS(=O)(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)CCOCC1 ZINC000641625132 531844852 /nfs/dbraw/zinc/84/48/52/531844852.db2.gz SNLMYBFCGQAIMN-DLBZAZTESA-N 1 0 376.563 1.954 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000624405381 531844924 /nfs/dbraw/zinc/84/49/24/531844924.db2.gz IXWNDUNKHGWCBR-MWLCHTKSSA-N 1 0 390.303 1.826 20 0 GDADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000641625784 531845293 /nfs/dbraw/zinc/84/52/93/531845293.db2.gz XIPRKZJDCYMTQD-PBHICJAKSA-N 1 0 388.555 1.831 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3cc(Br)ccc3F)CCN2C1=O ZINC000563457557 531845620 /nfs/dbraw/zinc/84/56/20/531845620.db2.gz LVRZQXJVPLZJHV-AAEUAGOBSA-N 1 0 385.237 1.042 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)Oc1ccc(Br)cc1 ZINC000283258841 531845757 /nfs/dbraw/zinc/84/57/57/531845757.db2.gz ANWJSGNYTCVRIO-GFCCVEGCSA-N 1 0 398.301 1.543 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418823310 531846144 /nfs/dbraw/zinc/84/61/44/531846144.db2.gz RWBQUNMASYCBLN-SCDSUCTJSA-N 1 0 398.276 1.709 20 0 GDADRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1cccc(Cl)c1Br ZINC000563493796 531847240 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1.617 20 0 GDADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCSCC[C@@H]1C ZINC000671627840 531857190 /nfs/dbraw/zinc/85/71/90/531857190.db2.gz XKLSDJQPOJAVOE-STQMWFEESA-N 1 0 383.539 1.439 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000418860536 531857306 /nfs/dbraw/zinc/85/73/06/531857306.db2.gz FIGVHMUYGOKAJT-ZDUSSCGKSA-N 1 0 395.301 1.094 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CCC1 ZINC000418862274 531857468 /nfs/dbraw/zinc/85/74/68/531857468.db2.gz HRYMCDXEKNXBET-GFCCVEGCSA-N 1 0 395.301 1.142 20 0 GDADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCSCC[C@@H]1C ZINC000671627839 531857648 /nfs/dbraw/zinc/85/76/48/531857648.db2.gz XKLSDJQPOJAVOE-QWHCGFSZSA-N 1 0 383.539 1.439 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(Br)cn1 ZINC000418860825 531857940 /nfs/dbraw/zinc/85/79/40/531857940.db2.gz DEFGRJDUBAZJSB-MEDUHNTESA-N 1 0 383.290 1.527 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418870458 531859320 /nfs/dbraw/zinc/85/93/20/531859320.db2.gz SEMKHAHGDWACFG-ZDUSSCGKSA-N 1 0 387.311 1.804 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C3(C[NH3+])CCC3)C2)s1 ZINC000563701020 531861713 /nfs/dbraw/zinc/86/17/13/531861713.db2.gz OIXUQZHUXKZWAY-AWEZNQCLSA-N 1 0 385.555 1.797 20 0 GDADRO O=S(=O)(Cc1ccccc1Br)NC[C@H](O)C[NH+]1CCCCC1 ZINC000672385357 531862686 /nfs/dbraw/zinc/86/26/86/531862686.db2.gz SFYGQUSCALAYKM-AWEZNQCLSA-N 1 0 391.331 1.715 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)Oc1ccccc1Br ZINC000642777829 531862924 /nfs/dbraw/zinc/86/29/24/531862924.db2.gz HEHWBCNNQHWBMY-GFCCVEGCSA-N 1 0 398.301 1.672 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2cc(Br)ccc2F)CC[NH2+]1 ZINC000418918320 531863803 /nfs/dbraw/zinc/86/38/03/531863803.db2.gz CMDYBGZUIAQXPG-GXFFZTMASA-N 1 0 386.265 1.504 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418927475 531864550 /nfs/dbraw/zinc/86/45/50/531864550.db2.gz XBMFVRIIEDJFAX-OLZOCXBDSA-N 1 0 398.276 1.315 20 0 GDADRO CC(C)C[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000563834461 531865595 /nfs/dbraw/zinc/86/55/95/531865595.db2.gz HIIKKJHEQKTVOM-INIZCTEOSA-N 1 0 389.949 1.852 20 0 GDADRO O=C(C[NH2+][C@H]1CCc2ccc(I)cc21)N1CCOCC1 ZINC000595026015 531865732 /nfs/dbraw/zinc/86/57/32/531865732.db2.gz MHLAHGRXEONIMW-AWEZNQCLSA-N 1 0 386.233 1.727 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)sc2c1CCCS2 ZINC000595245080 531871534 /nfs/dbraw/zinc/87/15/34/531871534.db2.gz PGLSVPHSAYIITI-VIFPVBQESA-N 1 0 385.511 1.626 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1OC ZINC000564958105 531871648 /nfs/dbraw/zinc/87/16/48/531871648.db2.gz ONPCOJMYVGQDAD-NEPJUHHUSA-N 1 0 388.873 1.650 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418961196 531871704 /nfs/dbraw/zinc/87/17/04/531871704.db2.gz BDWCGDDQMMHXBG-SNVBAGLBSA-N 1 0 394.273 1.200 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCOc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000418958426 531872131 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GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(Br)c(C)c2)CC1 ZINC000418996438 531876969 /nfs/dbraw/zinc/87/69/69/531876969.db2.gz SRVYXYAGLQQJGD-UHFFFAOYSA-N 1 0 382.302 1.832 20 0 GDADRO C[C@@H]1CN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)[C@@H](C)C[N@@H+]1CCO ZINC000418995704 531877174 /nfs/dbraw/zinc/87/71/74/531877174.db2.gz DIZPWDSIQQDHLW-MNOVXSKESA-N 1 0 381.420 1.244 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)Nc1ccccc1Br ZINC000298337626 531877626 /nfs/dbraw/zinc/87/76/26/531877626.db2.gz BHMKYXPNMJJKCD-MRXNPFEDSA-N 1 0 395.257 1.452 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)cc1Br ZINC000419001274 531877830 /nfs/dbraw/zinc/87/78/30/531877830.db2.gz ADZXUDHVGTWLLH-RYUDHWBXSA-N 1 0 398.301 1.751 20 0 GDADRO COc1ccc(C(=O)NCC[N@H+](C)C2CC2)nc1I ZINC000270488557 531878420 /nfs/dbraw/zinc/87/84/20/531878420.db2.gz KLPIUCZLCWDLTL-UHFFFAOYSA-N 1 0 375.210 1.519 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000419010011 531879175 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C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)CCc2ccc(Br)cc2)C1 ZINC000419016873 531881793 /nfs/dbraw/zinc/88/17/93/531881793.db2.gz FNXUKDIIPIFYKC-WFASDCNBSA-N 1 0 382.302 1.707 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419027054 531883374 /nfs/dbraw/zinc/88/33/74/531883374.db2.gz VKWOSTJGVMVKHB-GXFFZTMASA-N 1 0 384.274 1.361 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419030037 531884024 /nfs/dbraw/zinc/88/40/24/531884024.db2.gz ZSDODDZVZPVWMP-YUELXQCFSA-N 1 0 394.313 1.564 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3ccc(Br)cc3)[C@@H]2C1 ZINC000283499618 531869674 /nfs/dbraw/zinc/86/96/74/531869674.db2.gz IMYWTICTNJMTTI-UKRRQHHQSA-N 1 0 380.286 1.618 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000367832524 531869801 /nfs/dbraw/zinc/86/98/01/531869801.db2.gz ODSGJEOMSUSADI-AWEZNQCLSA-N 1 0 391.490 1.008 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419048815 531891489 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CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419057688 531894835 /nfs/dbraw/zinc/89/48/35/531894835.db2.gz VBLFPOJCMVMYOI-OCCSQVGLSA-N 1 0 382.302 1.612 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)c2sc3c(c2I)CNC3)C1 ZINC000595950895 531894989 /nfs/dbraw/zinc/89/49/89/531894989.db2.gz NRWPDJRVIFIDII-CYBMUJFWSA-N 1 0 391.278 1.767 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419057671 531895577 /nfs/dbraw/zinc/89/55/77/531895577.db2.gz VBGMFYUJRVXDPR-CMPLNLGQSA-N 1 0 386.265 1.585 20 0 GDADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707903 531896652 /nfs/dbraw/zinc/89/66/52/531896652.db2.gz GACLQZREADISHP-ZIAGYGMSSA-N 1 0 383.279 1.851 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)c1 ZINC000419067058 531896714 /nfs/dbraw/zinc/89/67/14/531896714.db2.gz KRFPTQHKECRCLN-LBPRGKRZSA-N 1 0 382.302 1.960 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000567597752 531899191 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1.790 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000419040857 531887166 /nfs/dbraw/zinc/88/71/66/531887166.db2.gz JFVBIAPQFAEBJD-LLVKDONJSA-N 1 0 396.289 1.136 20 0 GDADRO CCS(=O)(=O)CCCCC[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595722657 531887786 /nfs/dbraw/zinc/88/77/86/531887786.db2.gz GSNSEFGHCQXRMJ-CRAIPNDOSA-N 1 0 375.531 1.882 20 0 GDADRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000674067979 531888080 /nfs/dbraw/zinc/88/80/80/531888080.db2.gz PVSFRVMXVVNEHY-UHFFFAOYSA-N 1 0 382.507 1.893 20 0 GDADRO C[C@@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000298446236 531888283 /nfs/dbraw/zinc/88/82/83/531888283.db2.gz IQZYVHNOJYBOCC-WMLDXEAASA-N 1 0 382.551 1.470 20 0 GDADRO CC1(CNC(=O)C(=O)NCc2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000419044410 531888479 /nfs/dbraw/zinc/88/84/79/531888479.db2.gz UAZAJJOGHAIBDF-UHFFFAOYSA-N 1 0 386.265 1.710 20 0 GDADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566496015 531888681 /nfs/dbraw/zinc/88/86/81/531888681.db2.gz NQOLUIMAJVHQRJ-JKOKRWQUSA-N 1 0 398.326 1.700 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)C[C@H]1C[NH3+] ZINC000419045267 531889477 /nfs/dbraw/zinc/88/94/77/531889477.db2.gz VURRWZLIJYTERC-ZYHUDNBSSA-N 1 0 386.265 1.648 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c1OC ZINC000566687084 531890769 /nfs/dbraw/zinc/89/07/69/531890769.db2.gz VNJHSHSVZLBOJR-ONGXEEELSA-N 1 0 375.878 1.209 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCc3cc(F)ccc3Br)C[C@@H]12 ZINC000419142905 531905034 /nfs/dbraw/zinc/90/50/34/531905034.db2.gz COUNIXBZVJTCRI-GAJTVXKRSA-N 1 0 384.249 1.400 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000298638318 531905604 /nfs/dbraw/zinc/90/56/04/531905604.db2.gz KNFABWUGOMNAMF-SNVBAGLBSA-N 1 0 378.420 1.673 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2cc(F)ccc2Br)C1 ZINC000419156350 531905861 /nfs/dbraw/zinc/90/58/61/531905861.db2.gz JNDDQHUDBOKEHN-QWRGUYRKSA-N 1 0 386.265 1.790 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419158333 531906185 /nfs/dbraw/zinc/90/61/85/531906185.db2.gz MPBXYDIIJPSINP-UHFFFAOYSA-N 1 0 396.207 1.938 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000419171365 531908551 /nfs/dbraw/zinc/90/85/51/531908551.db2.gz XNDRDBXXKXRYGS-NHYWBVRUSA-N 1 0 388.295 1.822 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1Br ZINC000419169060 531908672 /nfs/dbraw/zinc/90/86/72/531908672.db2.gz UCJKGUSDRDIVTR-RRFJBIMHSA-N 1 0 394.313 1.960 20 0 GDADRO O=C([C@H]1CCc2cc(Br)ccc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000648138404 531908763 /nfs/dbraw/zinc/90/87/63/531908763.db2.gz QMHAFSZJHLIIEC-RDJZCZTQSA-N 1 0 378.314 1.985 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1Br ZINC000419169061 531908875 /nfs/dbraw/zinc/90/88/75/531908875.db2.gz UCJKGUSDRDIVTR-SOUVJXGZSA-N 1 0 394.313 1.960 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000419166301 531909238 /nfs/dbraw/zinc/90/92/38/531909238.db2.gz BISBQQPRIPQDDV-LLVKDONJSA-N 1 0 388.281 1.751 20 0 GDADRO CC[NH+](CC)CCSCC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000568516036 531909307 /nfs/dbraw/zinc/90/93/07/531909307.db2.gz NAENZMDVTCWWPN-AWEZNQCLSA-N 1 0 386.539 1.413 20 0 GDADRO CCCN(C(=O)C(=O)NCCc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000419189665 531910553 /nfs/dbraw/zinc/91/05/53/531910553.db2.gz LWXMPZOARPWAHY-OAHLLOKOSA-N 1 0 382.302 1.708 20 0 GDADRO CS[C@@H]1CN(Cc2nnnn2-c2ccccc2Br)C[C@@H]1[NH+](C)C ZINC000270697755 531911379 /nfs/dbraw/zinc/91/13/79/531911379.db2.gz ZOQFPHRPNNZXBZ-UONOGXRCSA-N 1 0 397.346 1.902 20 0 GDADRO CCCN(C(=O)C(=O)NCc1cc(Br)ccc1OC)[C@H]1CC[NH2+]C1 ZINC000419198723 531911592 /nfs/dbraw/zinc/91/15/92/531911592.db2.gz CLCOSZVGRZOCBJ-AWEZNQCLSA-N 1 0 398.301 1.674 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419204823 531913432 /nfs/dbraw/zinc/91/34/32/531913432.db2.gz JMHZAPLKBUXBOU-MFKMUULPSA-N 1 0 384.274 1.318 20 0 GDADRO O=C(NCCSCc1ccc(Cl)cc1Cl)C(=O)N1CC[NH2+]CC1 ZINC000419093511 531899907 /nfs/dbraw/zinc/89/99/07/531899907.db2.gz IFZPKGYNCAOIJC-UHFFFAOYSA-N 1 0 376.309 1.775 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000456174023 531900180 /nfs/dbraw/zinc/90/01/80/531900180.db2.gz URVDZYUZVDDBDA-CORIIIEPSA-N 1 0 380.286 1.730 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CCO1 ZINC000647861457 531900216 /nfs/dbraw/zinc/90/02/16/531900216.db2.gz AZUGXTHXVFRUJQ-HEHGZKQESA-N 1 0 384.318 1.844 20 0 GDADRO O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419109460 531900494 /nfs/dbraw/zinc/90/04/94/531900494.db2.gz RJGXWNLNAURXSC-QGZVFWFLSA-N 1 0 378.885 1.778 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(I)cc1F ZINC000595964446 531900822 /nfs/dbraw/zinc/90/08/22/531900822.db2.gz JBSNYGNQNCCFRL-LLVKDONJSA-N 1 0 391.184 1.237 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCc1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000419108898 531900884 /nfs/dbraw/zinc/90/08/84/531900884.db2.gz GWHVDXIJOGIZFF-GHMZBOCLSA-N 1 0 388.331 1.674 20 0 GDADRO O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419105257 531901712 /nfs/dbraw/zinc/90/17/12/531901712.db2.gz NPWCQHNWYODPSN-MNOVXSKESA-N 1 0 378.885 1.634 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419133597 531902255 /nfs/dbraw/zinc/90/22/55/531902255.db2.gz IYERRXKTXJXNTQ-NXEZZACHSA-N 1 0 388.693 1.914 20 0 GDADRO O=C(NCCCOc1ccc(Cl)cc1Cl)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419131849 531902569 /nfs/dbraw/zinc/90/25/69/531902569.db2.gz HBWCKRYJTIFZQB-TXEJJXNPSA-N 1 0 386.279 1.556 20 0 GDADRO CO[C@H]1CCN(CCS(=O)(=O)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000647906987 531903068 /nfs/dbraw/zinc/90/30/68/531903068.db2.gz QFRHPZLAJYLHOE-KGLIPLIRSA-N 1 0 391.331 1.661 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000647907900 531903502 /nfs/dbraw/zinc/90/35/02/531903502.db2.gz MUYYKCBXFVWGGD-NJZAAPMLSA-N 1 0 385.917 1.741 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(CCO)CC(F)F)c1ccsc1 ZINC000283853970 531903721 /nfs/dbraw/zinc/90/37/21/531903721.db2.gz BBOBLMDVICTAHZ-ZDUSSCGKSA-N 1 0 377.457 1.333 20 0 GDADRO CC1(OCC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C[NH2+]C1 ZINC000647920248 531904531 /nfs/dbraw/zinc/90/45/31/531904531.db2.gz YRQRIWSQEZBYNI-UHFFFAOYSA-N 1 0 386.279 1.656 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000419143177 531904863 /nfs/dbraw/zinc/90/48/63/531904863.db2.gz ZBCKGQDUHZVUSG-OAHLLOKOSA-N 1 0 388.693 1.916 20 0 GDADRO CS(=O)(=O)Nc1ccc(NC(=O)NC2(C[NH3+])CCOCC2)cc1Cl ZINC000625863490 531917371 /nfs/dbraw/zinc/91/73/71/531917371.db2.gz YFKSTJIQOLBUCG-UHFFFAOYSA-N 1 0 376.866 1.341 20 0 GDADRO C[C@H](CC(=O)N(C)CCC[N@H+](C)CCN(C)C)n1cc(Br)cn1 ZINC000648905858 531917489 /nfs/dbraw/zinc/91/74/89/531917489.db2.gz TYHMATOSSVBLEJ-CQSZACIVSA-N 1 0 388.354 1.939 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21)C1CC1 ZINC000419254621 531918107 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C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000625975078 531921165 /nfs/dbraw/zinc/92/11/65/531921165.db2.gz RKYJGQWHAVJGCP-PXDYOCJYSA-N 1 0 398.301 1.905 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2csc(Br)c2)CC1 ZINC000419279773 531921535 /nfs/dbraw/zinc/92/15/35/531921535.db2.gz JMBJDJRKFMXEHN-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000419306257 531922377 /nfs/dbraw/zinc/92/23/77/531922377.db2.gz YAHBVJMABDGJNK-JSGCOSHPSA-N 1 0 382.302 1.939 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2sccc2Br)CC1 ZINC000419306271 531923379 /nfs/dbraw/zinc/92/33/79/531923379.db2.gz YCRUIJHCPFJJST-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)NCc1nccs1 ZINC000284054462 531924206 /nfs/dbraw/zinc/92/42/06/531924206.db2.gz ACUJJFNGCPWCQG-UHFFFAOYSA-N 1 0 380.436 1.882 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000298819289 531924804 /nfs/dbraw/zinc/92/48/04/531924804.db2.gz 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COCC[N@@H+]1CCCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000369303486 531956574 /nfs/dbraw/zinc/95/65/74/531956574.db2.gz ZAAAGKJPZMNZSN-UHFFFAOYSA-N 1 0 385.306 1.704 20 0 GDADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC000457871596 531964818 /nfs/dbraw/zinc/96/48/18/531964818.db2.gz NXVLQYARNWTKCT-ZFWWWQNUSA-N 1 0 376.567 1.224 20 0 GDADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC000457871594 531965039 /nfs/dbraw/zinc/96/50/39/531965039.db2.gz NXVLQYARNWTKCT-HIFRSBDPSA-N 1 0 376.567 1.224 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419756163 531966005 /nfs/dbraw/zinc/96/60/05/531966005.db2.gz FZSGPHMUBLGSNK-VXGBXAGGSA-N 1 0 387.311 1.803 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419763022 531966595 /nfs/dbraw/zinc/96/65/95/531966595.db2.gz TTXSPAWSYAEMFW-DGCLKSJQSA-N 1 0 387.311 1.803 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000419761978 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COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1Br ZINC000272315754 532091437 /nfs/dbraw/zinc/09/14/37/532091437.db2.gz JTPYYABCTPUPNA-RISCZKNCSA-N 1 0 396.285 1.949 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000373689176 532092528 /nfs/dbraw/zinc/09/25/28/532092528.db2.gz CRNVVJWRWZZCCX-RRFJBIMHSA-N 1 0 375.535 1.693 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)[N@@H+]1CCCC[C@H]1C ZINC000604763973 532099500 /nfs/dbraw/zinc/09/95/00/532099500.db2.gz MLGXBWFZWHVKKZ-CABCVRRESA-N 1 0 388.555 1.772 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000424450143 532094749 /nfs/dbraw/zinc/09/47/49/532094749.db2.gz VWAXRLAWELHKSD-UONOGXRCSA-N 1 0 392.257 1.074 20 0 GDADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)c3ccc(Br)cc3)[C@@H]2C1 ZINC000329031465 532095172 /nfs/dbraw/zinc/09/51/72/532095172.db2.gz PUSAAORKFMKPNG-CABCVRRESA-N 1 0 396.285 1.110 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)NCC2C[NH2+]C2)C[C@H]1c1ccc(Br)cc1 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1.887 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000373939281 532103331 /nfs/dbraw/zinc/10/33/31/532103331.db2.gz RDQVWJPRWSONJT-UONOGXRCSA-N 1 0 383.539 1.889 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)C[C@@H]1[NH+](C)C ZINC000272623788 532108523 /nfs/dbraw/zinc/10/85/23/532108523.db2.gz JFEILBAQOGNVAA-ZGKBOVNRSA-N 1 0 381.523 1.195 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3cccc(Br)c3)[C@@H]2C1 ZINC000272666196 532110112 /nfs/dbraw/zinc/11/01/12/532110112.db2.gz SEQIPJXMHXVPIP-IUODEOHRSA-N 1 0 380.286 1.732 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)s1 ZINC000272695848 532110973 /nfs/dbraw/zinc/11/09/73/532110973.db2.gz DHKFXTUBNJTOKE-ZDUSSCGKSA-N 1 0 386.543 1.284 20 0 GDADRO Cc1nn(C)c(Cl)c1CNc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000285641585 532100937 /nfs/dbraw/zinc/10/09/37/532100937.db2.gz RUAICHRLKMFBQV-UHFFFAOYSA-N 1 0 385.921 1.834 20 0 GDADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)C1 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FXFULYSBJIDNOO-KBPBESRZSA-N 1 0 376.906 1.389 20 0 GDADRO C[C@]1(CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)CCC[NH2+]C1 ZINC000272949070 532124922 /nfs/dbraw/zinc/12/49/22/532124922.db2.gz DDVYZODXYVCAEQ-HNNXBMFYSA-N 1 0 389.315 1.972 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@@H]1[NH+](C)C ZINC000330695838 532129641 /nfs/dbraw/zinc/12/96/41/532129641.db2.gz JHZHYYLAWFTRGB-RYUDHWBXSA-N 1 0 399.460 1.689 20 0 GDADRO O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H]1CC[NH2+]C1 ZINC000273021310 532129751 /nfs/dbraw/zinc/12/97/51/532129751.db2.gz LAAFODNIJFJWHH-SNVBAGLBSA-N 1 0 380.297 1.388 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000286076785 532130557 /nfs/dbraw/zinc/13/05/57/532130557.db2.gz TVNFDHZMMWHWKE-SNVBAGLBSA-N 1 0 380.436 1.667 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000330918716 532133353 /nfs/dbraw/zinc/13/33/53/532133353.db2.gz NIIQBOVHORGOHA-MRXNPFEDSA-N 1 0 375.535 1.313 20 0 GDADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H](CO)c2ccc(Br)cc2)C1 ZINC000273103838 532134756 /nfs/dbraw/zinc/13/47/56/532134756.db2.gz MPNDGFKQBOOUGN-IUODEOHRSA-N 1 0 391.331 1.744 20 0 GDADRO CS(=O)(=O)CCCCNC(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000425381127 532136302 /nfs/dbraw/zinc/13/63/02/532136302.db2.gz GJVBPEOUZLRWAV-CQSZACIVSA-N 1 0 389.543 1.245 20 0 GDADRO C[NH+](C)CC1(CNc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CCCC1 ZINC000273492046 532153004 /nfs/dbraw/zinc/15/30/04/532153004.db2.gz MPLHWRQUYCGNBB-UHFFFAOYSA-N 1 0 389.543 1.271 20 0 GDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425480965 532140707 /nfs/dbraw/zinc/14/07/07/532140707.db2.gz PSBJCQDTBJMZKE-CQSZACIVSA-N 1 0 387.571 1.684 20 0 GDADRO CS(=O)(=O)CCCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000425566200 532143136 /nfs/dbraw/zinc/14/31/36/532143136.db2.gz GPDLYUDAUKUNGL-UHFFFAOYSA-N 1 0 377.576 1.472 20 0 GDADRO CCCNC(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425728698 532146971 /nfs/dbraw/zinc/14/69/71/532146971.db2.gz UNKVQWKAIUBFPC-UHFFFAOYSA-N 1 0 385.306 1.912 20 0 GDADRO C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425736254 532148205 /nfs/dbraw/zinc/14/82/05/532148205.db2.gz DGVFUCMLWDPBGN-DGCLKSJQSA-N 1 0 397.317 1.910 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N3CC[C@H]([NH3+])C3)C2=O)ccc1Br ZINC000332136794 532165938 /nfs/dbraw/zinc/16/59/38/532165938.db2.gz MBAJCGQNJPOJMM-SMDDNHRTSA-N 1 0 381.274 1.605 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000332137837 532165989 /nfs/dbraw/zinc/16/59/89/532165989.db2.gz JTSRXVVOICMKHP-ZWNOBZJWSA-N 1 0 382.258 1.209 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)NCCn2cc(Br)cn2)CCSC1 ZINC000286639129 532166035 /nfs/dbraw/zinc/16/60/35/532166035.db2.gz KEAHXJBHKADMGV-CYBMUJFWSA-N 1 0 376.324 1.382 20 0 GDADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000286662016 532168105 /nfs/dbraw/zinc/16/81/05/532168105.db2.gz URERVMPPVDDDMG-MRXNPFEDSA-N 1 0 387.274 1.268 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 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C[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C[C@@H]1C[NH3+] ZINC000332231240 532172477 /nfs/dbraw/zinc/17/24/77/532172477.db2.gz DPUJBLAPCMRPNG-AAEUAGOBSA-N 1 0 380.286 1.782 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427047223 532174220 /nfs/dbraw/zinc/17/42/20/532174220.db2.gz SSDAQVVDNRSJMY-UKRRQHHQSA-N 1 0 383.286 1.932 20 0 GDADRO Cn1cc(C[NH2+]C(C)(C)[C@H](O)c2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000273912953 532176751 /nfs/dbraw/zinc/17/67/51/532176751.db2.gz YDBWDIVRXFJYMV-CQSZACIVSA-N 1 0 396.285 1.448 20 0 GDADRO CSC1(CNC(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)CC[NH+](C)CC1 ZINC000332275333 532177528 /nfs/dbraw/zinc/17/75/28/532177528.db2.gz GXMKEMQWOJBMLK-CQSZACIVSA-N 1 0 377.576 1.423 20 0 GDADRO O=C(NC1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000332518917 532191547 /nfs/dbraw/zinc/19/15/47/532191547.db2.gz JHFJCXUOYTXAQT-UHFFFAOYSA-N 1 0 386.905 1.108 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(Br)c1 ZINC000427884178 532192376 /nfs/dbraw/zinc/19/23/76/532192376.db2.gz HJCNQMVEBMEFGF-PHIMTYICSA-N 1 0 382.258 1.416 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000427930681 532194122 /nfs/dbraw/zinc/19/41/22/532194122.db2.gz KBOMOWKQRIPHJR-LLVKDONJSA-N 1 0 391.921 1.846 20 0 GDADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332553430 532194188 /nfs/dbraw/zinc/19/41/88/532194188.db2.gz LCQWMRQOPCRPGT-PRHODGIISA-N 1 0 388.212 1.876 20 0 GDADRO O=S(=O)(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(C(F)(F)F)ccc1Br ZINC000427930220 532194372 /nfs/dbraw/zinc/19/43/72/532194372.db2.gz IRHFMWSDXDCZJO-VROVMSAKSA-N 1 0 385.205 1.964 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000427944201 532194666 /nfs/dbraw/zinc/19/46/66/532194666.db2.gz GNVGTOGSTCXOIQ-CQSZACIVSA-N 1 0 391.559 1.513 20 0 GDADRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000427939527 532194766 /nfs/dbraw/zinc/19/47/66/532194766.db2.gz ILZQKJKYXGHINW-CQSZACIVSA-N 1 0 389.543 1.267 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccnc(Cl)c2)c1 ZINC000274207980 532195092 /nfs/dbraw/zinc/19/50/92/532195092.db2.gz HUHDYGUAQCODIO-UHFFFAOYSA-N 1 0 382.873 1.827 20 0 GDADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000428057885 532196516 /nfs/dbraw/zinc/19/65/16/532196516.db2.gz JQDGFKLFFILWNS-DOTOQJQBSA-N 1 0 393.329 1.534 20 0 GDADRO O=S(=O)(CC[NH2+]C1CCN(c2nccs2)CC1)N1CCSCC1 ZINC000376165481 532197639 /nfs/dbraw/zinc/19/76/39/532197639.db2.gz IKXHBFFMUUFKLX-UHFFFAOYSA-N 1 0 376.573 1.080 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)CC[C@@H]1[NH3+] ZINC000332598573 532198419 /nfs/dbraw/zinc/19/84/19/532198419.db2.gz MPPFJLUNSXMMGC-ABAIWWIYSA-N 1 0 380.286 1.530 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)CC2 ZINC000332592864 532198768 /nfs/dbraw/zinc/19/87/68/532198768.db2.gz KACLFSFIIUPOOY-MLGOLLRUSA-N 1 0 394.313 1.838 20 0 GDADRO COC(=O)CC[N@@H+](CC(OC)OC)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000274283983 532201117 /nfs/dbraw/zinc/20/11/17/532201117.db2.gz DVJMVEUBYWLNLO-CQSZACIVSA-N 1 0 375.849 1.564 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)CC[C@H]1[NH3+] ZINC000332598576 532199401 /nfs/dbraw/zinc/19/94/01/532199401.db2.gz MPPFJLUNSXMMGC-XHDPSFHLSA-N 1 0 380.286 1.530 20 0 GDADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332602565 532199448 /nfs/dbraw/zinc/19/94/48/532199448.db2.gz PHKVIORXWZKTJB-RKDXNWHRSA-N 1 0 388.212 1.734 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1S(N)(=O)=O)c1ccsc1 ZINC000287168949 532199979 /nfs/dbraw/zinc/19/99/79/532199979.db2.gz OIJBWOXPYIABHF-AWEZNQCLSA-N 1 0 382.511 1.498 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cccc(Cl)n2)c1 ZINC000274286789 532200518 /nfs/dbraw/zinc/20/05/18/532200518.db2.gz OYSSRYPSDRCISE-UHFFFAOYSA-N 1 0 382.873 1.827 20 0 GDADRO CCc1oc(C(=O)OC)cc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000332621710 532200772 /nfs/dbraw/zinc/20/07/72/532200772.db2.gz GKBBZABKNZKVGS-GWCFXTLKSA-N 1 0 376.500 1.295 20 0 GDADRO CCn1nc2c(cc1=O)CN(CC(=O)Nc1ccc(Br)cn1)CC2 ZINC000375892939 532188425 /nfs/dbraw/zinc/18/84/25/532188425.db2.gz ROGPKARGMLGAGC-UHFFFAOYSA-N 1 0 392.257 1.418 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)[C@@H](C)C[NH+]3CCOCC3)nc12 ZINC000274146755 532188956 /nfs/dbraw/zinc/18/89/56/532188956.db2.gz FHGHTFHWLNMTND-ZDUSSCGKSA-N 1 0 395.301 1.990 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000332480441 532189068 /nfs/dbraw/zinc/18/90/68/532189068.db2.gz MIONJSLWNJERRU-MNOVXSKESA-N 1 0 398.276 1.730 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000274146703 532189322 /nfs/dbraw/zinc/18/93/22/532189322.db2.gz HWGDTHSLYKCGKW-HNNXBMFYSA-N 1 0 387.299 1.678 20 0 GDADRO COCCCN(C(=O)c1sc(S(N)(=O)=O)cc1C)C1CC[NH+](C)CC1 ZINC000427782443 532189634 /nfs/dbraw/zinc/18/96/34/532189634.db2.gz KLQQMJSZQRDIGQ-UHFFFAOYSA-N 1 0 389.543 1.277 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000428444213 532207820 /nfs/dbraw/zinc/20/78/20/532207820.db2.gz URPAFOGKXHSHIR-DGCLKSJQSA-N 1 0 389.315 1.679 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@H](C)[N@H+](C)C2CC2)s1 ZINC000332754192 532209159 /nfs/dbraw/zinc/20/91/59/532209159.db2.gz JWCHVVMHKQFZPB-WFASDCNBSA-N 1 0 385.555 1.809 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287343014 532209425 /nfs/dbraw/zinc/20/94/25/532209425.db2.gz XRUYJPFADLFQKJ-UONOGXRCSA-N 1 0 399.333 1.735 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)s1 ZINC000428555810 532210450 /nfs/dbraw/zinc/21/04/50/532210450.db2.gz ZSXUQVDLRUKZHW-CYBMUJFWSA-N 1 0 381.479 1.214 20 0 GDADRO O=C(c1ccccc1Br)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428617011 532212993 /nfs/dbraw/zinc/21/29/93/532212993.db2.gz IGPJPMFCIDJNFU-ZDUSSCGKSA-N 1 0 380.286 1.733 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332908611 532213288 /nfs/dbraw/zinc/21/32/88/532213288.db2.gz PHOOMNTWOQELLE-QWRGUYRKSA-N 1 0 377.919 1.423 20 0 GDADRO O=C(c1cncc(Br)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428635818 532213565 /nfs/dbraw/zinc/21/35/65/532213565.db2.gz HPYNZKCDCYEULF-LBPRGKRZSA-N 1 0 381.274 1.128 20 0 GDADRO O=C1C[C@@]2(CC[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)CN1 ZINC000333017721 532214936 /nfs/dbraw/zinc/21/49/36/532214936.db2.gz HJWLZXHMHOQYJW-BBRMVZONSA-N 1 0 387.249 1.540 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000332653013 532203117 /nfs/dbraw/zinc/20/31/17/532203117.db2.gz ZQTKTPOWLOTZOS-KGLIPLIRSA-N 1 0 384.889 1.298 20 0 GDADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000332660467 532204030 /nfs/dbraw/zinc/20/40/30/532204030.db2.gz CNMDIBZZORWPJH-FRRDWIJNSA-N 1 0 386.436 1.616 20 0 GDADRO O=S(=O)(CC1CCS(=O)(=O)CC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000376313684 532204693 /nfs/dbraw/zinc/20/46/93/532204693.db2.gz IXBWXPZCSZAMGN-KRWDZBQOSA-N 1 0 392.587 1.528 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333280980 532227893 /nfs/dbraw/zinc/22/78/93/532227893.db2.gz HOZBQKIBRICARB-LLVKDONJSA-N 1 0 384.278 1.506 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCC1CC[NH+](C2CC2)CC1 ZINC000333295079 532228813 /nfs/dbraw/zinc/22/88/13/532228813.db2.gz AYYVWLPJJPHBKC-UHFFFAOYSA-N 1 0 391.946 1.670 20 0 GDADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000429437160 532229094 /nfs/dbraw/zinc/22/90/94/532229094.db2.gz ZHTACLIDFKFING-SJORKVTESA-N 1 0 389.539 1.552 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000333351497 532230866 /nfs/dbraw/zinc/23/08/66/532230866.db2.gz RNCDCPLBTDTAAN-LLVKDONJSA-N 1 0 384.278 1.636 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000333367319 532231169 /nfs/dbraw/zinc/23/11/69/532231169.db2.gz UNNPMAPDOQMUHH-RISCZKNCSA-N 1 0 398.305 1.800 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000287648271 532231307 /nfs/dbraw/zinc/23/13/07/532231307.db2.gz NZUXJLVEIJGGBC-SNVBAGLBSA-N 1 0 392.257 1.399 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000429654771 532231634 /nfs/dbraw/zinc/23/16/34/532231634.db2.gz RJYOPFVHTPXTIP-GLQYFDAESA-N 1 0 380.286 1.920 20 0 GDADRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000333452638 532235427 /nfs/dbraw/zinc/23/54/27/532235427.db2.gz SCGDLBYOBRMFEY-INIZCTEOSA-N 1 0 394.603 1.775 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274623267 532220443 /nfs/dbraw/zinc/22/04/43/532220443.db2.gz QBJWUKPAEVXQOP-SECBINFHSA-N 1 0 375.654 1.646 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CC[C@H]1[NH3+] ZINC000429137674 532223745 /nfs/dbraw/zinc/22/37/45/532223745.db2.gz BUTIHPIDUVVOFT-LDYMZIIASA-N 1 0 393.278 1.801 20 0 GDADRO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000376694987 532225084 /nfs/dbraw/zinc/22/50/84/532225084.db2.gz LUTMPSCZKPLNCZ-LSDHHAIUSA-N 1 0 385.555 1.797 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000376694984 532225106 /nfs/dbraw/zinc/22/51/06/532225106.db2.gz LUTMPSCZKPLNCZ-CABCVRRESA-N 1 0 385.555 1.797 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C[C@H]1[NH+]1CCCC1 ZINC000333217552 532225616 /nfs/dbraw/zinc/22/56/16/532225616.db2.gz QYSIUOPHKMWUHF-NUEKZKHPSA-N 1 0 386.543 1.045 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1 ZINC000274711206 532226926 /nfs/dbraw/zinc/22/69/26/532226926.db2.gz AOBLJXVISYUQQE-CVEARBPZSA-N 1 0 384.523 1.674 20 0 GDADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)NC[C@H]2CSCCS2)cc1 ZINC000287768654 532239994 /nfs/dbraw/zinc/23/99/94/532239994.db2.gz VYWBMJQSPBOUCP-INIZCTEOSA-N 1 0 381.567 1.372 20 0 GDADRO O=C(c1csc(Br)c1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333526764 532240414 /nfs/dbraw/zinc/24/04/14/532240414.db2.gz PCVHPEMZIAMPCQ-GFCCVEGCSA-N 1 0 386.315 1.937 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000287805891 532242602 /nfs/dbraw/zinc/24/26/02/532242602.db2.gz LZMQOIRDIAZUBS-OCCSQVGLSA-N 1 0 384.527 1.739 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430126506 532242740 /nfs/dbraw/zinc/24/27/40/532242740.db2.gz PXBUHWXHYGTDJB-ZBFHGGJFSA-N 1 0 399.329 1.685 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NCC[NH+](C)C)c(C)cc1Br ZINC000287836434 532244853 /nfs/dbraw/zinc/24/48/53/532244853.db2.gz DFBCZELWFFPLSI-UHFFFAOYSA-N 1 0 386.246 1.160 20 0 GDADRO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000333689631 532245132 /nfs/dbraw/zinc/24/51/32/532245132.db2.gz BOBFYCCXVBVFOV-GJZGRUSLSA-N 1 0 385.555 1.844 20 0 GDADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000377221793 532249183 /nfs/dbraw/zinc/24/91/83/532249183.db2.gz FBYGXGGINZEMFY-SWHYSGLUSA-N 1 0 382.258 1.365 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000333790906 532250053 /nfs/dbraw/zinc/25/00/53/532250053.db2.gz GFJQUFARTIFLFU-CYBMUJFWSA-N 1 0 382.258 1.898 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000287921048 532251115 /nfs/dbraw/zinc/25/11/15/532251115.db2.gz OYCQFSKJCBJMCI-KGLIPLIRSA-N 1 0 382.555 1.750 20 0 GDADRO C[NH2+][C@@H]1CCN(CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000430614922 532253007 /nfs/dbraw/zinc/25/30/07/532253007.db2.gz AMQCGQXVFZKTEN-CQSZACIVSA-N 1 0 397.317 1.448 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N[C@@H]3CCC[NH2+]C3)C2=O)ccc1Br ZINC000333469839 532236925 /nfs/dbraw/zinc/23/69/25/532236925.db2.gz AHBZAZOHXMTJFN-IUODEOHRSA-N 1 0 395.301 1.914 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000274841244 532237060 /nfs/dbraw/zinc/23/70/60/532237060.db2.gz FKDFVEOWFLLYOX-UHFFFAOYSA-N 1 0 381.267 1.323 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccsc1Br ZINC000287731079 532237591 /nfs/dbraw/zinc/23/75/91/532237591.db2.gz VLYUQUHBWBAEDD-LLVKDONJSA-N 1 0 388.331 1.927 20 0 GDADRO NS(=O)(=O)C1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000377032070 532238725 /nfs/dbraw/zinc/23/87/25/532238725.db2.gz STCAFCQTBDRJCX-UHFFFAOYSA-N 1 0 387.299 1.978 20 0 GDADRO COC(=O)c1cccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000274864714 532238933 /nfs/dbraw/zinc/23/89/33/532238933.db2.gz WKUOHUAKHUOJQC-HOTGVXAUSA-N 1 0 384.523 1.674 20 0 GDADRO O=C(CNS(=O)(=O)Cc1ccccc1Cl)NCC[NH+]1CCCCCC1 ZINC000431591895 532269794 /nfs/dbraw/zinc/26/97/94/532269794.db2.gz IZRIKVXXPSPPSQ-UHFFFAOYSA-N 1 0 387.933 1.752 20 0 GDADRO O=C(C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)NCc1ccc(Cl)cc1 ZINC000275150469 532270429 /nfs/dbraw/zinc/27/04/29/532270429.db2.gz XRINQQPMTHQUGQ-GFCCVEGCSA-N 1 0 377.794 1.957 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000377733943 532271590 /nfs/dbraw/zinc/27/15/90/532271590.db2.gz CYNCVPYICVRINY-AWEZNQCLSA-N 1 0 386.949 1.949 20 0 GDADRO O=C(COC1C[NH2+]C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000430693358 532254348 /nfs/dbraw/zinc/25/43/48/532254348.db2.gz GYANFAFYXDPQGK-UHFFFAOYSA-N 1 0 378.782 1.391 20 0 GDADRO 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C[NH2+][C@@H](C)c1cn(CC(=O)Nc2cccc(I)c2)nn1 ZINC000381152505 532294911 /nfs/dbraw/zinc/29/49/11/532294911.db2.gz LRCJJLWMYCMOOR-VIFPVBQESA-N 1 0 385.209 1.802 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000288535779 532295649 /nfs/dbraw/zinc/29/56/49/532295649.db2.gz DXGGNTDXOCEXRN-ZDUSSCGKSA-N 1 0 395.257 1.913 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc(Br)cn1 ZINC000288546752 532296278 /nfs/dbraw/zinc/29/62/78/532296278.db2.gz JRDVAOIHYCIMDX-RYUDHWBXSA-N 1 0 395.301 1.788 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Br)cn1 ZINC000288714351 532304479 /nfs/dbraw/zinc/30/44/79/532304479.db2.gz XSORFECOVBCWNN-JRPNMDOOSA-N 1 0 395.301 1.620 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000275676821 532304938 /nfs/dbraw/zinc/30/49/38/532304938.db2.gz VZZBHVHUOHICFM-MNOVXSKESA-N 1 0 381.278 1.182 20 0 GDADRO CC(C)[C@H](CNC(=O)c1nscc1Br)N1CC[NH+](C)CC1 ZINC000404763000 532306204 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COCCC[N@H+](C)CCNC(=O)N(C)CCn1cc(Br)cn1 ZINC000288970748 532312564 /nfs/dbraw/zinc/31/25/64/532312564.db2.gz XDYPWQMDSVDXPW-UHFFFAOYSA-N 1 0 376.299 1.255 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccnc1Br ZINC000289164980 532317154 /nfs/dbraw/zinc/31/71/54/532317154.db2.gz SHAKLGUQLNGQKK-RYUDHWBXSA-N 1 0 381.274 1.868 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289204783 532318065 /nfs/dbraw/zinc/31/80/65/532318065.db2.gz JXAIOUOBZFNLAA-ZFWWWQNUSA-N 1 0 382.302 1.723 20 0 GDADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289204780 532318075 /nfs/dbraw/zinc/31/80/75/532318075.db2.gz JXAIOUOBZFNLAA-UKRRQHHQSA-N 1 0 382.302 1.723 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1c(C)csc1C(=O)OC ZINC000276081207 532319250 /nfs/dbraw/zinc/31/92/50/532319250.db2.gz SLUQSWBAWNJQEV-LBPRGKRZSA-N 1 0 378.516 1.478 20 0 GDADRO O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289251481 532319621 /nfs/dbraw/zinc/31/96/21/532319621.db2.gz NQFCTFVUBKOIKO-QGZVFWFLSA-N 1 0 383.539 1.748 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000289435476 532323817 /nfs/dbraw/zinc/32/38/17/532323817.db2.gz JPKXNRKMHNNIIZ-AWEZNQCLSA-N 1 0 389.949 1.648 20 0 GDADRO CCCN(CCC[NH+](C)C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000276300797 532326534 /nfs/dbraw/zinc/32/65/34/532326534.db2.gz NCEDSJKZZVAUMO-UHFFFAOYSA-N 1 0 390.575 1.742 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC1([S@](C)=O)CCC1 ZINC000289567088 532328220 /nfs/dbraw/zinc/32/82/20/532328220.db2.gz GLDLFDNIGGNCBK-VWLOTQADSA-N 1 0 385.555 1.056 20 0 GDADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000276416764 532328893 /nfs/dbraw/zinc/32/88/93/532328893.db2.gz FXKUGTLWAIVWHL-CYBMUJFWSA-N 1 0 397.273 1.006 20 0 GDADRO O=C(C[NH2+][C@@H](CO)C1CCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000289597017 532329132 /nfs/dbraw/zinc/32/91/32/532329132.db2.gz RFUOBWFZYDJWFO-AWEZNQCLSA-N 1 0 376.425 1.762 20 0 GDADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000289646495 532330009 /nfs/dbraw/zinc/33/00/09/532330009.db2.gz QHHJKAOOEDNFKJ-JKSUJKDBSA-N 1 0 385.917 1.561 20 0 GDADRO COC(=O)CCn1nc(C)c(C[NH2+]CCn2cc(Br)cn2)c1C ZINC000289895247 532333741 /nfs/dbraw/zinc/33/37/41/532333741.db2.gz WPKMNHSNXGSYGT-UHFFFAOYSA-N 1 0 384.278 1.812 20 0 GDADRO COc1ccc(Br)cc1CC(=O)NCCC[N@H+](C)CCN(C)C ZINC000290029616 532335491 /nfs/dbraw/zinc/33/54/91/532335491.db2.gz GUAPAHHNVZCIAD-UHFFFAOYSA-N 1 0 386.334 2.000 20 0 GDADRO CNC(=O)CN1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000290063489 532336224 /nfs/dbraw/zinc/33/62/24/532336224.db2.gz XXJSGUCILNHNLG-UHFFFAOYSA-N 1 0 380.290 1.397 20 0 GDADRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275616080 570697980 /nfs/dbraw/zinc/69/79/80/570697980.db2.gz RHZXGIZEEHUATD-SJORKVTESA-N 1 0 375.517 1.520 20 0 GDADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CCN(S(=O)(=O)c4cnn(C)c4)CC3)C[C@H]2C1 ZINC000333602692 570814584 /nfs/dbraw/zinc/81/45/84/570814584.db2.gz QRSQQKBZCYFBOR-LOXOPEBLSA-N 1 0 382.530 1.366 20 0 GDADRO O=C1N[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000333648664 570822244 /nfs/dbraw/zinc/82/22/44/570822244.db2.gz JLWGLECYQNYTQP-CVEARBPZSA-N 1 0 398.916 1.249 20 0 GDADRO O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000102822583 570865918 /nfs/dbraw/zinc/86/59/18/570865918.db2.gz IXRNKXHTAVFFKK-CALCHBBNSA-N 1 0 389.496 1.089 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)CCC(C)(C)C ZINC000736768249 598834891 /nfs/dbraw/zinc/83/48/91/598834891.db2.gz BQIADMKWHCABBG-UHFFFAOYSA-N 1 0 394.545 1.996 20 0 GDADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736277108 598840895 /nfs/dbraw/zinc/84/08/95/598840895.db2.gz SVUZZHMKASOYMK-UHFFFAOYSA-N 1 0 382.465 1.406 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000737523058 598852814 /nfs/dbraw/zinc/85/28/14/598852814.db2.gz GNASOTSTDGJJDM-MRXNPFEDSA-N 1 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COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H](c2nnc(C)o2)C1 ZINC000737033410 598984634 /nfs/dbraw/zinc/98/46/34/598984634.db2.gz VJRALOUSTBFLFY-AWEZNQCLSA-N 1 0 385.428 1.825 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737220150 599006757 /nfs/dbraw/zinc/00/67/57/599006757.db2.gz DANBPHKPKXWXOP-MRXNPFEDSA-N 1 0 390.513 1.814 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000736137438 599010675 /nfs/dbraw/zinc/01/06/75/599010675.db2.gz XIEUWYKXTYFBOT-ZJUUUORDSA-N 1 0 380.416 1.038 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2sccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000736614572 599016481 /nfs/dbraw/zinc/01/64/81/599016481.db2.gz IAWSFCHZSADZPJ-JSGCOSHPSA-N 1 0 378.502 1.795 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736236130 599028914 /nfs/dbraw/zinc/02/89/14/599028914.db2.gz HIAYOAHOKQRWEL-KBPBESRZSA-N 1 0 387.463 1.527 20 0 GDADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738109673 599032326 /nfs/dbraw/zinc/03/23/26/599032326.db2.gz RACBSWZMZMRZMV-UHFFFAOYSA-N 1 0 393.451 1.666 20 0 GDADRO C[NH+](C)Cc1cc(CNC(=O)COc2ccccc2-c2nn[nH]n2)ccc1F ZINC000736772082 599033021 /nfs/dbraw/zinc/03/30/21/599033021.db2.gz WOZZWRUOTZTTLV-UHFFFAOYSA-N 1 0 384.415 1.763 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CCc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736858988 599034936 /nfs/dbraw/zinc/03/49/36/599034936.db2.gz WMTNLQXPGGZJCQ-SFHVURJKSA-N 1 0 383.500 1.038 20 0 GDADRO CN1CCC[N@H+](CCCNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736855963 599049767 /nfs/dbraw/zinc/04/97/67/599049767.db2.gz HMVQYEKKTFRTIH-UHFFFAOYSA-N 1 0 384.410 1.720 20 0 GDADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000822724056 599051558 /nfs/dbraw/zinc/05/15/58/599051558.db2.gz XMOATDOXIUXXHT-NSHDSACASA-N 1 0 383.378 1.439 20 0 GDADRO O=C(CC[N@H+]1CCC[C@H](OCCO)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737844741 599078717 /nfs/dbraw/zinc/07/87/17/599078717.db2.gz VPPXSUIMZRGUJS-ZDUSSCGKSA-N 1 0 394.863 1.322 20 0 GDADRO NC(=O)[C@@H]([NH2+]CCCOCCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737739261 599094952 /nfs/dbraw/zinc/09/49/52/599094952.db2.gz XQMBLZCUZLUOPA-SFHVURJKSA-N 1 0 380.452 1.632 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736295238 599102634 /nfs/dbraw/zinc/10/26/34/599102634.db2.gz ZVMBLIQQNUEPAW-LRDDRELGSA-N 1 0 395.471 1.047 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736231644 599106418 /nfs/dbraw/zinc/10/64/18/599106418.db2.gz BTWQRVLRISIYAD-GXSJLCMTSA-N 1 0 377.836 1.058 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000737488500 599107482 /nfs/dbraw/zinc/10/74/82/599107482.db2.gz WHQQHRZIXVTQFP-BXUZGUMPSA-N 1 0 397.487 1.058 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000738163629 599148579 /nfs/dbraw/zinc/14/85/79/599148579.db2.gz RLQORGDBMKXIBP-CABCVRRESA-N 1 0 375.408 1.069 20 0 GDADRO NC(=O)[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730778 599181746 /nfs/dbraw/zinc/18/17/46/599181746.db2.gz LGDXPLKKZBALRE-SJLPKXTDSA-N 1 0 395.442 1.791 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821182502 599210068 /nfs/dbraw/zinc/21/00/68/599210068.db2.gz VNHKXNAGNFDWMQ-MSOLQXFVSA-N 1 0 383.500 1.778 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822053957 607272680 /nfs/dbraw/zinc/27/26/80/607272680.db2.gz TVCUYJXLOXZZEO-STQMWFEESA-N 1 0 385.472 1.350 20 0 GDADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000736184272 599248470 /nfs/dbraw/zinc/24/84/70/599248470.db2.gz XJYVTGNCKDLROM-JKSUJKDBSA-N 1 0 384.484 1.968 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)Nc3cccc(-c4nn[nH]n4)c3C)CC2)c1 ZINC000821904170 607283039 /nfs/dbraw/zinc/28/30/39/607283039.db2.gz SEBPSPIGMOURER-UHFFFAOYSA-N 1 0 394.439 1.933 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC000821267675 607286381 /nfs/dbraw/zinc/28/63/81/607286381.db2.gz PHVBINCGUYFPOQ-CQSZACIVSA-N 1 0 386.504 1.570 20 0 GDADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)C[C@H](C)O1 ZINC000820761293 607302041 /nfs/dbraw/zinc/30/20/41/607302041.db2.gz WUVOMELVCHBYKN-TXEJJXNPSA-N 1 0 393.879 1.534 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821583549 607298096 /nfs/dbraw/zinc/29/80/96/607298096.db2.gz ZFMVLKXMRJAIBU-UHFFFAOYSA-N 1 0 387.488 1.680 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000821686990 599262919 /nfs/dbraw/zinc/26/29/19/599262919.db2.gz ISAOHILZORJQAJ-UHFFFAOYSA-N 1 0 391.476 1.744 20 0 GDADRO Cn1c(Sc2ncc(-c3nn[nH]n3)cc2Cl)nnc1[C@H]1CCC[NH2+]C1 ZINC000737590673 599266574 /nfs/dbraw/zinc/26/65/74/599266574.db2.gz BUEMBCBDEZJGQE-QMMMGPOBSA-N 1 0 377.865 1.662 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000821762298 599271539 /nfs/dbraw/zinc/27/15/39/599271539.db2.gz JTMUFKJJWFHCNB-AWEZNQCLSA-N 1 0 389.460 1.234 20 0 GDADRO NC(=O)c1ccc(N2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737759046 599272136 /nfs/dbraw/zinc/27/21/36/599272136.db2.gz FRABCQHNMDHALG-UHFFFAOYSA-N 1 0 393.451 1.167 20 0 GDADRO Cn1cc([C@H]2CC[N@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)cn1 ZINC000737605304 599289633 /nfs/dbraw/zinc/28/96/33/599289633.db2.gz MDBAYAIFVRTYBD-AWEZNQCLSA-N 1 0 377.412 1.640 20 0 GDADRO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000735460905 599290626 /nfs/dbraw/zinc/29/06/26/599290626.db2.gz OPNCCVREOCPFRE-HNNXBMFYSA-N 1 0 382.428 1.181 20 0 GDADRO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735462408 599290675 /nfs/dbraw/zinc/29/06/75/599290675.db2.gz XWNLXSKGTMJOGH-INIZCTEOSA-N 1 0 382.428 1.181 20 0 GDADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)[NH+]1CCCC1 ZINC000820021629 607335040 /nfs/dbraw/zinc/33/50/40/607335040.db2.gz XGBRXYVWDCEUEW-HNNXBMFYSA-N 1 0 389.435 1.181 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC000821584728 607339141 /nfs/dbraw/zinc/33/91/41/607339141.db2.gz QIPOXOGFWKOBRG-CQSZACIVSA-N 1 0 391.451 1.427 20 0 GDADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000823791588 607345501 /nfs/dbraw/zinc/34/55/01/607345501.db2.gz FQGVLEGYPXYOTG-HNNXBMFYSA-N 1 0 394.483 1.891 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736994504 598239614 /nfs/dbraw/zinc/23/96/14/598239614.db2.gz JGWJFKZCHKEYDD-UHFFFAOYSA-N 1 0 378.502 1.137 20 0 GDADRO C[C@]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)(C(N)=O)c1ccccc1 ZINC000736133657 598249503 /nfs/dbraw/zinc/24/95/03/598249503.db2.gz IPZBDGYCXSPYFL-QGZVFWFLSA-N 1 0 385.453 1.247 20 0 GDADRO O=C1[C@H](N2CCC([NH+]3CCCCC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290216 598250771 /nfs/dbraw/zinc/25/07/71/598250771.db2.gz NVFJNEHTYDPVIB-LJQANCHMSA-N 1 0 395.511 1.922 20 0 GDADRO C[C@H](CNC(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[N@H+](C)C1CC1 ZINC000736017216 598270245 /nfs/dbraw/zinc/27/02/45/598270245.db2.gz KGGZFDSJUPWIOH-CYBMUJFWSA-N 1 0 399.503 1.012 20 0 GDADRO C[C@@H](CNC(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)[N@H+](C)C1CC1 ZINC000736016523 598270879 /nfs/dbraw/zinc/27/08/79/598270879.db2.gz ADMCNCLOUXKEBS-AWEZNQCLSA-N 1 0 399.499 1.902 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000737001908 598271334 /nfs/dbraw/zinc/27/13/34/598271334.db2.gz FYZASTPRALPHMP-CQSZACIVSA-N 1 0 387.488 1.507 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)cn1 ZINC000736772064 598281161 /nfs/dbraw/zinc/28/11/61/598281161.db2.gz WDGPJDIHHVCZFT-UHFFFAOYSA-N 1 0 386.464 1.825 20 0 GDADRO C[C@H](CC[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)NC(=O)OC(C)(C)C ZINC000735987040 598285865 /nfs/dbraw/zinc/28/58/65/598285865.db2.gz QRHFFIGVNRMYLL-LLVKDONJSA-N 1 0 387.448 1.302 20 0 GDADRO C[NH+](C)CCN1CCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736769020 598318988 /nfs/dbraw/zinc/31/89/88/598318988.db2.gz NCEYDCVZGZIXEZ-UHFFFAOYSA-N 1 0 394.936 1.396 20 0 GDADRO COCC[NH+]1CCC(NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000737008863 598322802 /nfs/dbraw/zinc/32/28/02/598322802.db2.gz WBEPURUJAPUADX-UHFFFAOYSA-N 1 0 395.920 1.917 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)CC1=O ZINC000736569421 598333155 /nfs/dbraw/zinc/33/31/55/598333155.db2.gz IFXMODWOTCVTSU-HZPDHXFCSA-N 1 0 397.483 1.446 20 0 GDADRO C[NH+](C)Cc1ccc(N2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)nc1 ZINC000736770740 598337197 /nfs/dbraw/zinc/33/71/97/598337197.db2.gz GCYKQUQMENZPPY-UHFFFAOYSA-N 1 0 382.447 1.789 20 0 GDADRO O=C(C[NH+]1CCC(Cn2cccn2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737874484 598353665 /nfs/dbraw/zinc/35/36/65/598353665.db2.gz DGBNAHLIUYHEKP-UHFFFAOYSA-N 1 0 380.456 1.092 20 0 GDADRO O=C(CC[NH+]1CCC(Cn2cccn2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737838904 598354017 /nfs/dbraw/zinc/35/40/17/598354017.db2.gz OSEHDDMHFQGFAB-UHFFFAOYSA-N 1 0 386.485 1.866 20 0 GDADRO O=C(CN1CCC(CC[NH+]2CCOCC2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737877662 598355274 /nfs/dbraw/zinc/35/52/74/598355274.db2.gz LJDZOVFOJVWESP-UHFFFAOYSA-N 1 0 399.499 1.240 20 0 GDADRO CO[C@H](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736957990 598362453 /nfs/dbraw/zinc/36/24/53/598362453.db2.gz LNOVUWNWLAXQLM-CQSZACIVSA-N 1 0 375.477 1.365 20 0 GDADRO COc1cc2c(nn1)CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)C2 ZINC000737056045 598364390 /nfs/dbraw/zinc/36/43/90/598364390.db2.gz SUXMMHRTXRZSBG-UHFFFAOYSA-N 1 0 380.412 1.052 20 0 GDADRO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000737473539 598367811 /nfs/dbraw/zinc/36/78/11/598367811.db2.gz JXFRTFHRGJQKRK-HNNXBMFYSA-N 1 0 395.471 1.426 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736769402 598383041 /nfs/dbraw/zinc/38/30/41/598383041.db2.gz RMLNCAFGRSKGHB-UHFFFAOYSA-N 1 0 393.451 1.088 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736768251 598383307 /nfs/dbraw/zinc/38/33/07/598383307.db2.gz BRCIGALCLHTPGR-UHFFFAOYSA-N 1 0 381.440 1.858 20 0 GDADRO C[NH+](C)CCOc1cccc(NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736768617 598384016 /nfs/dbraw/zinc/38/40/16/598384016.db2.gz GJEXHNUYQIJZIH-UHFFFAOYSA-N 1 0 381.440 1.858 20 0 GDADRO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737746727 598396782 /nfs/dbraw/zinc/39/67/82/598396782.db2.gz LDKLNDFKQQZGEA-NSHDSACASA-N 1 0 377.836 1.189 20 0 GDADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736798150 598403215 /nfs/dbraw/zinc/40/32/15/598403215.db2.gz RCSRSXUEDCDHTP-UHFFFAOYSA-N 1 0 399.499 1.319 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736859049 598425359 /nfs/dbraw/zinc/42/53/59/598425359.db2.gz CLXXKRFFWXDJQC-SFHVURJKSA-N 1 0 383.500 1.038 20 0 GDADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)c2)CC1 ZINC000736862553 598448437 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ZINC000833833278 605888214 /nfs/dbraw/zinc/88/82/14/605888214.db2.gz XEBOPRHNDJJSNY-LPHOPBHVSA-N 1 0 388.512 1.877 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000822215198 606118713 /nfs/dbraw/zinc/11/87/13/606118713.db2.gz PYKSDDAYLAZJAI-HNNXBMFYSA-N 1 0 397.483 1.304 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](CCCCO)CC1 ZINC000822204241 606126618 /nfs/dbraw/zinc/12/66/18/606126618.db2.gz JCESBGJHXDVORK-UHFFFAOYSA-N 1 0 385.447 1.757 20 0 GDADRO C[N@H+](CCOc1ccc(F)cc1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821605201 606132258 /nfs/dbraw/zinc/13/22/58/606132258.db2.gz ZIWZBNVYXYFOHO-INIZCTEOSA-N 1 0 387.415 1.756 20 0 GDADRO CCCNC(=O)C1([NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CCCCC1 ZINC000821114616 606153704 /nfs/dbraw/zinc/15/37/04/606153704.db2.gz ZUSCQARIPBMCJG-UHFFFAOYSA-N 1 0 385.472 1.624 20 0 GDADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nn[nH]n3)C2)CC1 ZINC000820723100 606154867 /nfs/dbraw/zinc/15/48/67/606154867.db2.gz 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COC1CC[NH+](CCNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000821679628 606196739 /nfs/dbraw/zinc/19/67/39/606196739.db2.gz FUDBXIRBJKROQU-UHFFFAOYSA-N 1 0 395.920 1.917 20 0 GDADRO C[C@]1(c2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)NC(=O)NC1=O ZINC000820628926 606215210 /nfs/dbraw/zinc/21/52/10/606215210.db2.gz QNOVYBXOGXYGSO-QGZVFWFLSA-N 1 0 383.437 1.273 20 0 GDADRO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823713151 606222512 /nfs/dbraw/zinc/22/25/12/606222512.db2.gz DKMKUOJRGXOLKO-QAPCUYQASA-N 1 0 384.509 1.901 20 0 GDADRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000821723668 606225337 /nfs/dbraw/zinc/22/53/37/606225337.db2.gz HJACSUIKHXACNM-SFHVURJKSA-N 1 0 394.435 1.779 20 0 GDADRO COc1ccc([C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[NH+]2CCCC2)cc1 ZINC000821777453 606245279 /nfs/dbraw/zinc/24/52/79/606245279.db2.gz FPUASBNWKJKSHK-KRWDZBQOSA-N 1 0 381.440 1.770 20 0 GDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820722258 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VVHJUWZVONSZSX-UHFFFAOYSA-N 1 0 393.455 1.969 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(F)cc2F)c1-c1nn[nH]n1 ZINC000826077590 608022943 /nfs/dbraw/zinc/02/29/43/608022943.db2.gz NQPZMINKGROZTR-UHFFFAOYSA-N 1 0 376.371 1.581 20 0 GDADRO COc1ccc2c(c1)CC[N@H+]([C@@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826213330 608038053 /nfs/dbraw/zinc/03/80/53/608038053.db2.gz TUKDVOFIXSKPFV-GOSISDBHSA-N 1 0 378.436 1.503 20 0 GDADRO C[NH+]1CCC(NC(=S)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000826029792 608047450 /nfs/dbraw/zinc/04/74/50/608047450.db2.gz WRZRRLNQPQITOA-MRXNPFEDSA-N 1 0 387.513 1.209 20 0 GDADRO C[C@@H](CNc1ccc(-c2nn[nH]n2)cc1Br)N1CC[NH+](C)CC1 ZINC000824427746 608048565 /nfs/dbraw/zinc/04/85/65/608048565.db2.gz NZHMNPJAPFYJRY-NSHDSACASA-N 1 0 380.294 1.677 20 0 GDADRO C[NH+](C)C1(CNC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)CCCC1 ZINC000825850719 608061343 /nfs/dbraw/zinc/06/13/43/608061343.db2.gz REQWBFSDGGQERL-QGZVFWFLSA-N 1 0 399.499 1.824 20 0 GDADRO 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COc1ccc([C@@H](CCO)[NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826189139 608431907 /nfs/dbraw/zinc/43/19/07/608431907.db2.gz OGEQUUXTFDEEEJ-QGZVFWFLSA-N 1 0 382.424 1.527 20 0 GDADRO COc1ccc([C@H](CCO)[NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)cc1 ZINC000826189308 608431962 /nfs/dbraw/zinc/43/19/62/608431962.db2.gz SPACSWPRFYVCTC-AWEZNQCLSA-N 1 0 388.453 1.589 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1ccnc1 ZINC000824952787 608452377 /nfs/dbraw/zinc/45/23/77/608452377.db2.gz ATDJTYHAUICZGZ-YOEHRIQHSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1ccnc1 ZINC000824952780 608452642 /nfs/dbraw/zinc/45/26/42/608452642.db2.gz ATDJTYHAUICZGZ-PBHICJAKSA-N 1 0 380.456 1.263 20 0 GDADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)c2)CC1 ZINC000824300740 608473053 /nfs/dbraw/zinc/47/30/53/608473053.db2.gz KDMWVEFDECEDMS-UHFFFAOYSA-N 1 0 380.456 1.978 20 0 GDADRO CC[NH+]1CCN(CCC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 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VEGNYMILMKOBKP-UHFFFAOYSA-N 1 0 388.439 1.165 20 0 GDADRO c1cnn(-c2cccc(C[NH+]3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)c2)c1 ZINC000826515890 608517445 /nfs/dbraw/zinc/51/74/45/608517445.db2.gz OOBTXTCKKVFWRB-UHFFFAOYSA-N 1 0 387.451 1.770 20 0 GDADRO COc1cccc(CNC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826215864 608529488 /nfs/dbraw/zinc/52/94/88/608529488.db2.gz ASBIGOXHWCOXRT-UHFFFAOYSA-N 1 0 378.436 1.770 20 0 GDADRO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824936291 608530162 /nfs/dbraw/zinc/53/01/62/608530162.db2.gz FLQJZLPVZUGLQG-CZUORRHYSA-N 1 0 397.483 1.850 20 0 GDADRO O=C(C[NH2+]C1(c2ccc3c(c2)OCO3)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826412427 608555772 /nfs/dbraw/zinc/55/57/72/608555772.db2.gz NPXIWPAVGIAQHG-UHFFFAOYSA-N 1 0 392.419 1.491 20 0 GDADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000826457843 608561100 /nfs/dbraw/zinc/56/11/00/608561100.db2.gz SIXSNHBPBHVIAT-UHFFFAOYSA-N 1 0 379.424 1.471 20 0 GDADRO 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CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825193718 609227751 /nfs/dbraw/zinc/22/77/51/609227751.db2.gz NFOZHLHISJVKMS-WMLDXEAASA-N 1 0 386.500 1.917 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824272115 609255656 /nfs/dbraw/zinc/25/56/56/609255656.db2.gz UHWWBVJLKXFFPC-CQSZACIVSA-N 1 0 392.529 1.968 20 0 GDADRO C[C@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824585462 609295246 /nfs/dbraw/zinc/29/52/46/609295246.db2.gz QLJJVKBLHMYABE-AWEZNQCLSA-N 1 0 378.436 1.907 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1C ZINC000824708095 609360600 /nfs/dbraw/zinc/36/06/00/609360600.db2.gz XALBXQQEVRUCDG-RYUDHWBXSA-N 1 0 395.305 1.516 20 0 GDADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000826423446 609416772 /nfs/dbraw/zinc/41/67/72/609416772.db2.gz PHLKPPDRJZWOQK-LJQANCHMSA-N 1 0 392.463 1.292 20 0 GDADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000826422063 609419541 /nfs/dbraw/zinc/41/95/41/609419541.db2.gz LDPUMPSOOGSGAC-IBGZPJMESA-N 1 0 392.463 1.292 20 0 GDADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc(-c3nn[nH]n3)cn2C)cc1 ZINC000826189258 609468427 /nfs/dbraw/zinc/46/84/27/609468427.db2.gz QZAUBNHAMUQIHO-QGZVFWFLSA-N 1 0 395.467 1.781 20 0 GDADRO Cc1onc(CC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1-c1nn[nH]n1 ZINC000826347217 609470949 /nfs/dbraw/zinc/47/09/49/609470949.db2.gz IYOXPVPTAPSFFF-UHFFFAOYSA-N 1 0 382.428 1.133 20 0 GDADRO COc1ccc2c(c1)CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826212739 609507766 /nfs/dbraw/zinc/50/77/66/609507766.db2.gz ZVCCIGQJJUKVHW-FUHWJXTLSA-N 1 0 378.436 1.549 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000826494020 609544404 /nfs/dbraw/zinc/54/44/04/609544404.db2.gz LZHJEXJMMHPSTL-GFCCVEGCSA-N 1 0 382.877 1.379 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)[C@H](C)C1 ZINC000825452468 609550059 /nfs/dbraw/zinc/55/00/59/609550059.db2.gz OZDDXSXASVTBEE-BXUZGUMPSA-N 1 0 398.920 1.871 20 0 GDADRO Cc1ccnc(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1-c1nn[nH]n1 ZINC000826311403 609557457 /nfs/dbraw/zinc/55/74/57/609557457.db2.gz DACPZFFBPXODHZ-OAHLLOKOSA-N 1 0 379.472 1.588 20 0 GDADRO CC(C)NS(=O)(=O)CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531078594 649986833 /nfs/dbraw/zinc/98/68/33/649986833.db2.gz ADQJYGGJDDOLCO-HNNXBMFYSA-N 1 0 390.937 1.570 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000531724584 649995714 /nfs/dbraw/zinc/99/57/14/649995714.db2.gz GDEFYBJIMGXOIC-FZMZJTMJSA-N 1 0 381.278 1.553 20 0 GDADRO CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000532740917 650031729 /nfs/dbraw/zinc/03/17/29/650031729.db2.gz OHXSHKOLGRYQLE-LSDHHAIUSA-N 1 0 388.921 1.276 20 0 GDADRO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000533387107 650050698 /nfs/dbraw/zinc/05/06/98/650050698.db2.gz MNJAJWZEBFJIDT-KRWDZBQOSA-N 1 0 391.269 1.559 20 0 GDADRO COCc1nc(C)c(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000533992397 650216811 /nfs/dbraw/zinc/21/68/11/650216811.db2.gz UEDNTJKKCRVARP-CYBMUJFWSA-N 1 0 389.543 1.179 20 0 GDADRO NC(=O)N[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000535680699 650253508 /nfs/dbraw/zinc/25/35/08/650253508.db2.gz OOOAMKBVGOLVRV-LBPRGKRZSA-N 1 0 389.237 1.803 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)ccc1S(C)(=O)=O ZINC000539055128 650327672 /nfs/dbraw/zinc/32/76/72/650327672.db2.gz PYSGSCUYPWWNNZ-ZDUSSCGKSA-N 1 0 389.539 1.964 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-n2cncn2)cc1Cl ZINC000539046380 650327697 /nfs/dbraw/zinc/32/76/97/650327697.db2.gz DUBOKDROCGJWBB-QWHCGFSZSA-N 1 0 383.905 1.853 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc(I)cc1 ZINC000540149689 650350405 /nfs/dbraw/zinc/35/04/05/650350405.db2.gz WRHLQBJUUTWUPQ-GXFFZTMASA-N 1 0 395.262 1.755 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]C2CCN(CC(F)F)CC2)c(C)s1 ZINC000540496486 650360701 /nfs/dbraw/zinc/36/07/01/650360701.db2.gz SBLLAMBNFIIZQA-UHFFFAOYSA-N 1 0 381.514 1.962 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000540723516 650368728 /nfs/dbraw/zinc/36/87/28/650368728.db2.gz QYLYVIFOSWSJCY-SLEUVZQESA-N 1 0 386.514 1.892 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1 ZINC000541589914 650387544 /nfs/dbraw/zinc/38/75/44/650387544.db2.gz QMBJSGKBSQDARP-GJZGRUSLSA-N 1 0 390.933 1.792 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000542184002 650400280 /nfs/dbraw/zinc/40/02/80/650400280.db2.gz QLJUILKHZAFEIF-CYBMUJFWSA-N 1 0 385.306 1.777 20 0 GDADRO CN(CCC(=O)NCCN(C)S(=O)(=O)c1cccs1)c1cc[nH+]cc1 ZINC000542786078 650412402 /nfs/dbraw/zinc/41/24/02/650412402.db2.gz PZQCDMDQQZVCJE-UHFFFAOYSA-N 1 0 382.511 1.406 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000543026456 650416796 /nfs/dbraw/zinc/41/67/96/650416796.db2.gz PWMJWFLXIRPQPD-UHFFFAOYSA-N 1 0 391.225 1.439 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1ncc(Br)cc1Br ZINC000544781596 650445453 /nfs/dbraw/zinc/44/54/53/650445453.db2.gz AQAYTNXPORUSMD-UHFFFAOYSA-N 1 0 395.095 1.915 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000545172910 650450381 /nfs/dbraw/zinc/45/03/81/650450381.db2.gz SPEAMXGUGAEIPI-INIZCTEOSA-N 1 0 382.873 1.665 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000545863818 650462802 /nfs/dbraw/zinc/46/28/02/650462802.db2.gz KJYQNDBMOCIKHP-MRXNPFEDSA-N 1 0 379.258 1.431 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000545867339 650463274 /nfs/dbraw/zinc/46/32/74/650463274.db2.gz PMVRUWXRCBRBIO-HNNXBMFYSA-N 1 0 387.914 1.808 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2=O)ccc1Br ZINC000545911837 650465591 /nfs/dbraw/zinc/46/55/91/650465591.db2.gz RYLPLHBZFDGUSC-WFASDCNBSA-N 1 0 380.286 1.931 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000546574317 650479499 /nfs/dbraw/zinc/47/94/99/650479499.db2.gz NVHCZKQWHIDOSV-CYBMUJFWSA-N 1 0 397.722 1.589 20 0 GDADRO CCC[N@H+](C[C@@H](O)COc1ccc(Br)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000549164861 650571493 /nfs/dbraw/zinc/57/14/93/650571493.db2.gz IBWVIWFGEURFDP-HIFRSBDPSA-N 1 0 399.285 1.658 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000549915857 650585402 /nfs/dbraw/zinc/58/54/02/650585402.db2.gz XTYMSPLNZYAOGT-INIZCTEOSA-N 1 0 375.535 1.362 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1OC ZINC000551513208 650608442 /nfs/dbraw/zinc/60/84/42/650608442.db2.gz QDPMVLGIYNKOKG-JQWIXIFHSA-N 1 0 390.889 1.896 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000552289104 650622583 /nfs/dbraw/zinc/62/25/83/650622583.db2.gz PAWTUMNRIPDMTN-UHFFFAOYSA-N 1 0 386.290 1.849 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCc3ccc(Br)cc3C2)CC1=O ZINC000552691971 650631442 /nfs/dbraw/zinc/63/14/42/650631442.db2.gz CIYQBHWLNOCVSX-OAHLLOKOSA-N 1 0 394.313 1.744 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C[C@@H]1O ZINC000552436322 650626245 /nfs/dbraw/zinc/62/62/45/650626245.db2.gz XUEAETYZDDMGQV-GJZGRUSLSA-N 1 0 379.258 1.586 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3CCCS3(=O)=O)CC2)cc1 ZINC000552922931 650634975 /nfs/dbraw/zinc/63/49/75/650634975.db2.gz AJVAXSLPJPJMCQ-QGZVFWFLSA-N 1 0 386.539 1.315 20 0 GDADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)C[N@H+](C)[C@H]2CCSC2)s1 ZINC000553409875 650645743 /nfs/dbraw/zinc/64/57/43/650645743.db2.gz MBWKBVSKVGMMHG-WOPDTQHZSA-N 1 0 385.559 1.617 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)cnc2c1Cl ZINC000553560818 650651053 /nfs/dbraw/zinc/65/10/53/650651053.db2.gz WMOOIGXLODIUER-JSGCOSHPSA-N 1 0 383.905 1.938 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1cnc(-c2ccncc2)s1)N1CCSCC1 ZINC000553782001 650657182 /nfs/dbraw/zinc/65/71/82/650657182.db2.gz QABOQHZMTDEVEP-UHFFFAOYSA-N 1 0 384.552 1.673 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cc(Br)cn2C)CC[N@@H+]1C ZINC000554029628 650666978 /nfs/dbraw/zinc/66/69/78/650666978.db2.gz KXHBTLYNHCLSOM-AAEUAGOBSA-N 1 0 385.306 1.345 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)C2)C1 ZINC000554142696 650669272 /nfs/dbraw/zinc/66/92/72/650669272.db2.gz YRBKJDGJFHGGKH-AWEZNQCLSA-N 1 0 377.919 1.234 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCn2cc(Br)cn2)C1 ZINC000554305955 650672845 /nfs/dbraw/zinc/67/28/45/650672845.db2.gz ZBOCDWPXCOFWLT-CQSZACIVSA-N 1 0 388.310 1.302 20 0 GDADRO C[C@H](NC(=O)C(C)(C)c1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000554702722 650680216 /nfs/dbraw/zinc/68/02/16/650680216.db2.gz AOLAEYRVIWGCOA-LBPRGKRZSA-N 1 0 384.318 1.909 20 0 GDADRO CCOC(=O)CCCS(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000555423970 650691079 /nfs/dbraw/zinc/69/10/79/650691079.db2.gz CGJXSHPGMCMNFI-XYPWUTKMSA-N 1 0 376.519 1.233 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000555962514 650697660 /nfs/dbraw/zinc/69/76/60/650697660.db2.gz OWSSCHKKDIBFKI-SWLSCSKDSA-N 1 0 394.313 1.849 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000556211576 650700273 /nfs/dbraw/zinc/70/02/73/650700273.db2.gz AQHSYGSWHXZJCP-CMPLNLGQSA-N 1 0 388.299 1.515 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccc(Br)c1Cl ZINC000556399946 650704639 /nfs/dbraw/zinc/70/46/39/650704639.db2.gz RBCOQLHFAOMLRR-LBPRGKRZSA-N 1 0 385.711 1.693 20 0 GDADRO C[C@@H](NC(=O)c1cc[nH]c(=O)c1Br)C(=O)NCC[NH+]1CCCCC1 ZINC000556821131 650712296 /nfs/dbraw/zinc/71/22/96/650712296.db2.gz QREMUMVIMXEAMW-LLVKDONJSA-N 1 0 399.289 1.270 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000556905740 650714704 /nfs/dbraw/zinc/71/47/04/650714704.db2.gz VRPMQNXEMWRTJL-MNOVXSKESA-N 1 0 376.284 1.943 20 0 GDADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000556919265 650715184 /nfs/dbraw/zinc/71/51/84/650715184.db2.gz DZUDXCJOBLMIEF-HZPDHXFCSA-N 1 0 388.555 1.561 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000557002734 650716058 /nfs/dbraw/zinc/71/60/58/650716058.db2.gz NLAKLRYMUPWKPV-UHFFFAOYSA-N 1 0 380.246 1.381 20 0 GDADRO CCOCCOC[C@@H](O)C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000557220595 650721633 /nfs/dbraw/zinc/72/16/33/650721633.db2.gz PAQOYQFTNILMGX-LBPRGKRZSA-N 1 0 376.247 1.681 20 0 GDADRO COC(=O)c1cn(CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)nn1 ZINC000559303101 650731435 /nfs/dbraw/zinc/73/14/35/650731435.db2.gz IINNRDWUPIFXTR-GFCCVEGCSA-N 1 0 379.258 1.974 20 0 GDADRO [NH3+]CCCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000563715941 650737998 /nfs/dbraw/zinc/73/79/98/650737998.db2.gz ZJJUAEVWKHCULW-UHFFFAOYSA-N 1 0 394.324 1.955 20 0 GDADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000563715075 650738014 /nfs/dbraw/zinc/73/80/14/650738014.db2.gz YAMSHKHPVDWXLA-HNNXBMFYSA-N 1 0 387.933 1.903 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000563820923 650740834 /nfs/dbraw/zinc/74/08/34/650740834.db2.gz MMKXUJBNCXRFRJ-ZDUSSCGKSA-N 1 0 393.912 1.098 20 0 GDADRO COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)c1 ZINC000564146616 650750544 /nfs/dbraw/zinc/75/05/44/650750544.db2.gz CTIJGJUETZEVQJ-TZMCWYRMSA-N 1 0 389.543 1.846 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2ccccc2S(N)(=O)=O)c1 ZINC000564560912 650761396 /nfs/dbraw/zinc/76/13/96/650761396.db2.gz HSIDABMJLCVVFJ-AWEZNQCLSA-N 1 0 384.885 1.825 20 0 GDADRO CCCCOC[C@H](O)C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000564869144 650770905 /nfs/dbraw/zinc/77/09/05/650770905.db2.gz PIUHGOGTTDUKGS-HUUCEWRRSA-N 1 0 376.544 1.668 20 0 GDADRO Cc1c(C(=O)NCC2([NH3+])CCC2)cc(Br)cc1S(N)(=O)=O ZINC000564931661 650773327 /nfs/dbraw/zinc/77/33/27/650773327.db2.gz ODGPNCTVMNWMGI-UHFFFAOYSA-N 1 0 376.276 1.016 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000564786898 650767754 /nfs/dbraw/zinc/76/77/54/650767754.db2.gz RIHZRRLAEDUPOE-CQSZACIVSA-N 1 0 383.290 1.087 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000564826709 650768792 /nfs/dbraw/zinc/76/87/92/650768792.db2.gz GDWDAFWSXUUGGL-ZFWWWQNUSA-N 1 0 394.313 1.962 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000565301027 650791038 /nfs/dbraw/zinc/79/10/38/650791038.db2.gz IWSUIIUEOUWTMP-OAHLLOKOSA-N 1 0 382.302 1.708 20 0 GDADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000565371713 650793959 /nfs/dbraw/zinc/79/39/59/650793959.db2.gz FZVYBPGIQSZUMY-AWEZNQCLSA-N 1 0 394.273 1.985 20 0 GDADRO OCCN1CC[NH+](CCCCNc2noc3ccc(Br)cc32)CC1 ZINC000565571590 650803469 /nfs/dbraw/zinc/80/34/69/650803469.db2.gz NVLSZHWOQWCPON-UHFFFAOYSA-N 1 0 397.317 2.392 20 0 GDADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000565593225 650804212 /nfs/dbraw/zinc/80/42/12/650804212.db2.gz FWUQQIIOYUOLSQ-STQMWFEESA-N 1 0 387.527 1.016 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000565686358 650808147 /nfs/dbraw/zinc/80/81/47/650808147.db2.gz FDTHUKJBNJGWPV-KGLIPLIRSA-N 1 0 378.560 1.465 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000566012641 650826090 /nfs/dbraw/zinc/82/60/90/650826090.db2.gz MNPYWLJXNZNJBZ-HNNXBMFYSA-N 1 0 398.301 1.374 20 0 GDADRO [NH3+]C1(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)CCC1 ZINC000566175252 650832335 /nfs/dbraw/zinc/83/23/35/650832335.db2.gz KTRIPNLPDSCGPD-UHFFFAOYSA-N 1 0 396.285 1.380 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000566179379 650833239 /nfs/dbraw/zinc/83/32/39/650833239.db2.gz GMDHPBNUGJJQPL-DZGCQCFKSA-N 1 0 395.301 1.012 20 0 GDADRO CS[C@H]1CN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000566299836 650839964 /nfs/dbraw/zinc/83/99/64/650839964.db2.gz BIVRQTQTODOJRD-HOTGVXAUSA-N 1 0 389.974 1.999 20 0 GDADRO C[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C(C)(C)CN1CCOCC1 ZINC000566306141 650840325 /nfs/dbraw/zinc/84/03/25/650840325.db2.gz HLFIRGHBYQHRRW-UHFFFAOYSA-N 1 0 375.922 1.530 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(c3ccnc4c(Br)ccc(F)c34)CCN2C1=O ZINC000566489771 650852440 /nfs/dbraw/zinc/85/24/40/650852440.db2.gz ZDGBVTKWALJCCZ-BXKDBHETSA-N 1 0 379.233 1.885 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cn(CC[NH3+])nn1 ZINC000566508740 650853023 /nfs/dbraw/zinc/85/30/23/650853023.db2.gz YQTOXWIKDYYZJT-UHFFFAOYSA-N 1 0 378.274 1.803 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)N(C)CCC[N@H+](C)CCN(C)C)c1 ZINC000566590370 650857622 /nfs/dbraw/zinc/85/76/22/650857622.db2.gz SHNHIVLOIBTAFO-UHFFFAOYSA-N 1 0 391.965 1.990 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566619948 650859962 /nfs/dbraw/zinc/85/99/62/650859962.db2.gz JJXXVFQEEGBTIW-VXGBXAGGSA-N 1 0 389.315 1.996 20 0 GDADRO COc1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc(Br)c1OC ZINC000566794818 650867057 /nfs/dbraw/zinc/86/70/57/650867057.db2.gz GIUWCVKFFYOYJK-ZDUSSCGKSA-N 1 0 398.301 1.586 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000566858948 650870461 /nfs/dbraw/zinc/87/04/61/650870461.db2.gz IIIVPSVXAGKZQT-OAHLLOKOSA-N 1 0 392.308 1.484 20 0 GDADRO Cc1nc2cc(Br)cc(NC(=O)NCCN3CC[NH2+]CC3)c2o1 ZINC000566902901 650872795 /nfs/dbraw/zinc/87/27/95/650872795.db2.gz YAADQHPVIPGBHA-UHFFFAOYSA-N 1 0 382.262 1.925 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000566982006 650878476 /nfs/dbraw/zinc/87/84/76/650878476.db2.gz XQWUBNUIMBYXPJ-BXKDBHETSA-N 1 0 391.287 1.736 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@H]1CCCCC[NH2+]1 ZINC000567167779 650890152 /nfs/dbraw/zinc/89/01/52/650890152.db2.gz MDBHXDKMLDGHJV-CYBMUJFWSA-N 1 0 379.404 1.998 20 0 GDADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc(Br)c2c1OCCC2 ZINC000567289733 650897974 /nfs/dbraw/zinc/89/79/74/650897974.db2.gz PWDMYYCQGMXIAN-GOSISDBHSA-N 1 0 395.297 1.961 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)CCN2C1=O ZINC000567292232 650898496 /nfs/dbraw/zinc/89/84/96/650898496.db2.gz JMOHOHVVAUKWHA-LNSITVRQSA-N 1 0 383.279 1.343 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000567461923 650905445 /nfs/dbraw/zinc/90/54/45/650905445.db2.gz ZAKDMEPRPQTFAA-GFCCVEGCSA-N 1 0 382.262 1.848 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000567657658 650912643 /nfs/dbraw/zinc/91/26/43/650912643.db2.gz CYPMUEANQULCLW-SWLSCSKDSA-N 1 0 386.279 1.703 20 0 GDADRO CC[N@H+](C)C[C@@H](O)Cn1c(=O)ccn(Cc2cccc(Br)c2)c1=O ZINC000567752480 650918900 /nfs/dbraw/zinc/91/89/00/650918900.db2.gz LSNLLURFMMISLF-OAHLLOKOSA-N 1 0 396.285 1.133 20 0 GDADRO COCCOC[C@@H](O)C[NH2+]Cc1ccc(I)c(C)c1 ZINC000567726562 650916965 /nfs/dbraw/zinc/91/69/65/650916965.db2.gz KJJGLZDLYAWYMV-ZDUSSCGKSA-N 1 0 379.238 1.713 20 0 GDADRO CC[NH+](CC)CCN(C(=S)NCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000055029846 644467157 /nfs/dbraw/zinc/46/71/57/644467157.db2.gz JHVLAGFIVXUGTA-AWEZNQCLSA-N 1 0 389.612 1.954 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000567872369 650925895 /nfs/dbraw/zinc/92/58/95/650925895.db2.gz AMXUHYPTFPVGPQ-DZGCQCFKSA-N 1 0 382.302 1.926 20 0 GDADRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000061547325 644514108 /nfs/dbraw/zinc/51/41/08/644514108.db2.gz KGDCNEIWWSCZCB-UHFFFAOYSA-N 1 0 381.885 1.979 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000066874937 644549388 /nfs/dbraw/zinc/54/93/88/644549388.db2.gz IGIUCUGRBNORJH-UHFFFAOYSA-N 1 0 382.507 1.299 20 0 GDADRO CCCN(Cc1ccccc1Br)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568059359 650935792 /nfs/dbraw/zinc/93/57/92/650935792.db2.gz QUBRJOYYMGPVJN-UHFFFAOYSA-N 1 0 397.317 1.803 20 0 GDADRO CCCN(C)C(=O)[C@@H]1CSCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000568192832 650940197 /nfs/dbraw/zinc/94/01/97/650940197.db2.gz WBOXTJYKFUUCQT-HOTGVXAUSA-N 1 0 385.599 1.974 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000120277708 644669509 /nfs/dbraw/zinc/66/95/09/644669509.db2.gz BDMRIRDDODPAEW-AWEZNQCLSA-N 1 0 387.274 1.511 20 0 GDADRO COCCN1[C@H](C)CN(C(=O)c2cc(I)c[nH]2)C[C@@H]1C ZINC000121379299 644678857 /nfs/dbraw/zinc/67/88/57/644678857.db2.gz IOAXJSDXRAVKQQ-PHIMTYICSA-N 1 0 391.253 1.801 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000568241679 650942700 /nfs/dbraw/zinc/94/27/00/650942700.db2.gz WCRULSMQAORFLU-XJKSGUPXSA-N 1 0 394.313 1.926 20 0 GDADRO C[C@@H](CNC(=O)NNC(=O)c1cc(Br)cn1C)C[NH+]1CCCC1 ZINC000123014238 644692798 /nfs/dbraw/zinc/69/27/98/644692798.db2.gz ZWKIMICOKQUCOG-NSHDSACASA-N 1 0 386.294 1.464 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 ZINC000124827988 644710178 /nfs/dbraw/zinc/71/01/78/644710178.db2.gz FGKLWHZSLMWVOI-JTQLQIEISA-N 1 0 391.287 1.608 20 0 GDADRO CC(C)N(C(=O)[C@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)C(C)C ZINC000126216142 644719059 /nfs/dbraw/zinc/71/90/59/644719059.db2.gz OEANYQCOFOJUON-LBPRGKRZSA-N 1 0 387.468 1.924 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C)CCC2)c(C)c[nH+]1 ZINC000568254050 650945596 /nfs/dbraw/zinc/94/55/96/650945596.db2.gz XVJMJCANUXGXGJ-UHFFFAOYSA-N 1 0 389.543 1.362 20 0 GDADRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000568254787 650946138 /nfs/dbraw/zinc/94/61/38/650946138.db2.gz NWCFAKYJUFIWFX-OAHLLOKOSA-N 1 0 384.523 1.673 20 0 GDADRO Cc1nc(N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)sc1C ZINC000132252154 644749084 /nfs/dbraw/zinc/74/90/84/644749084.db2.gz CZWBEJMWESMWQE-UHFFFAOYSA-N 1 0 380.539 1.772 20 0 GDADRO [NH3+][C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C1CC1 ZINC000137524634 644770318 /nfs/dbraw/zinc/77/03/18/644770318.db2.gz WWJASYWIQZZJFU-INIZCTEOSA-N 1 0 385.917 1.982 20 0 GDADRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000150697010 644775559 /nfs/dbraw/zinc/77/55/59/644775559.db2.gz KAPVMCAYWDVBMA-JKSUJKDBSA-N 1 0 385.917 1.690 20 0 GDADRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000150716479 644776253 /nfs/dbraw/zinc/77/62/53/644776253.db2.gz VMDMFUBAZZRJSU-GXFFZTMASA-N 1 0 379.935 1.608 20 0 GDADRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Br)n1 ZINC000151348898 644779763 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382.302 1.993 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000423000076 646106866 /nfs/dbraw/zinc/10/68/66/646106866.db2.gz UOLSZDQCADBZMO-GFCCVEGCSA-N 1 0 382.302 1.993 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423004382 646108182 /nfs/dbraw/zinc/10/81/82/646108182.db2.gz OVDZXKUYVPLIRE-LLVKDONJSA-N 1 0 384.274 1.223 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000423006015 646108189 /nfs/dbraw/zinc/10/81/89/646108189.db2.gz UBWVHKRHSGQYMQ-ZDUSSCGKSA-N 1 0 398.301 1.354 20 0 GDADRO COC(=O)C[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423013001 646108939 /nfs/dbraw/zinc/10/89/39/646108939.db2.gz LUOXSJROVILTRC-HNNXBMFYSA-N 1 0 399.285 1.938 20 0 GDADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423016812 646108945 /nfs/dbraw/zinc/10/89/45/646108945.db2.gz UQBDJPOZTQEYMD-ZDUSSCGKSA-N 1 0 384.933 1.256 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423021515 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1.385 20 0 GDADRO COC(=O)c1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c[nH]1 ZINC000466381022 647612597 /nfs/dbraw/zinc/61/25/97/647612597.db2.gz FNQBAUOILTZRCS-UHFFFAOYSA-N 1 0 385.873 1.913 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1)[NH+](C)C ZINC000466811293 647618851 /nfs/dbraw/zinc/61/88/51/647618851.db2.gz FUJJBIISRXPLQX-LLVKDONJSA-N 1 0 385.306 1.516 20 0 GDADRO C[C@@H](CO)[N@@H+]1CCCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000468753172 647672911 /nfs/dbraw/zinc/67/29/11/647672911.db2.gz AFUSIZHXSMBNSS-NSHDSACASA-N 1 0 381.420 1.246 20 0 GDADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc[nH]c(=O)c3Br)CC2)CCO1 ZINC000468929604 647684743 /nfs/dbraw/zinc/68/47/43/647684743.db2.gz KACVCWWXTHPWKZ-LLVKDONJSA-N 1 0 384.274 1.875 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000469119331 647698090 /nfs/dbraw/zinc/69/80/90/647698090.db2.gz UQBZQAFPOWJPKV-LRDDRELGSA-N 1 0 394.921 1.345 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CCO1 ZINC000469434444 647711204 /nfs/dbraw/zinc/71/12/04/647711204.db2.gz PPWHYYIMPRHMSI-TZMCWYRMSA-N 1 0 396.285 1.664 20 0 GDADRO COc1sc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Br ZINC000470004132 647719237 /nfs/dbraw/zinc/71/92/37/647719237.db2.gz WCXNXRWFSVLZFY-JTQLQIEISA-N 1 0 376.320 1.806 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cc3c(cc2Br)OCO3)C1 ZINC000470015939 647719751 /nfs/dbraw/zinc/71/97/51/647719751.db2.gz CHSIMQHDMWGNAG-NSHDSACASA-N 1 0 384.274 1.465 20 0 GDADRO COc1cc(Br)c(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1O ZINC000470018295 647719869 /nfs/dbraw/zinc/71/98/69/647719869.db2.gz NIJSWFDUYHUHRF-LLVKDONJSA-N 1 0 386.290 1.450 20 0 GDADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1nc(Br)c[nH]1)C(F)(F)F ZINC000921582307 660310919 /nfs/dbraw/zinc/31/09/19/660310919.db2.gz SFQQIPFITBDAOO-NSHDSACASA-N 1 0 382.184 1.836 20 0 GDADRO C[C@H](C[NH3+])NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000470478113 647727578 /nfs/dbraw/zinc/72/75/78/647727578.db2.gz SFHDRLDBPGQDPH-GHMZBOCLSA-N 1 0 384.274 1.380 20 0 GDADRO CC(C)[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCOCC1 ZINC000472587754 647757087 /nfs/dbraw/zinc/75/70/87/647757087.db2.gz AWSQNUPWSKCLLL-UHFFFAOYSA-N 1 0 389.905 1.815 20 0 GDADRO COCCCS(=O)(=O)NCC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000476815899 647787235 /nfs/dbraw/zinc/78/72/35/647787235.db2.gz KTJPTIASXLCZPG-UHFFFAOYSA-N 1 0 377.551 1.103 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000477185049 647797648 /nfs/dbraw/zinc/79/76/48/647797648.db2.gz HJZNCBGDKKPSGS-SNVBAGLBSA-N 1 0 377.304 1.855 20 0 GDADRO O=C(NCCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Br)cc1 ZINC000479897131 647837254 /nfs/dbraw/zinc/83/72/54/647837254.db2.gz DPEGSYKSGTVCNL-TXEJJXNPSA-N 1 0 381.274 1.639 20 0 GDADRO CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000480251530 647842096 /nfs/dbraw/zinc/84/20/96/647842096.db2.gz CKSNGJONAMPNAY-CXAGYDPISA-N 1 0 385.555 1.685 20 0 GDADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000480340294 647843996 /nfs/dbraw/zinc/84/39/96/647843996.db2.gz HAEWXVLSQVBISZ-UHFFFAOYSA-N 1 0 396.962 1.847 20 0 GDADRO Cc1nc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)sc1Br ZINC000921722077 660325887 /nfs/dbraw/zinc/32/58/87/660325887.db2.gz QQSVEXQLZGLURA-UHFFFAOYSA-N 1 0 396.376 1.813 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1Br ZINC000483898013 647909135 /nfs/dbraw/zinc/90/91/35/647909135.db2.gz SYKKARCGAWBQBC-UHFFFAOYSA-N 1 0 395.232 1.880 20 0 GDADRO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCC[NH+]2CCSCC2)c1 ZINC000488967216 647969099 /nfs/dbraw/zinc/96/90/99/647969099.db2.gz ABXCVVCZPBKNEE-UHFFFAOYSA-N 1 0 385.555 1.137 20 0 GDADRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000489734602 647982358 /nfs/dbraw/zinc/98/23/58/647982358.db2.gz NZOAAQDMLDBYKQ-UHFFFAOYSA-N 1 0 381.495 1.207 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)Oc1ccccc1Br ZINC000490824722 647990309 /nfs/dbraw/zinc/99/03/09/647990309.db2.gz VXRMFBUSHVVVRO-DZGCQCFKSA-N 1 0 382.302 1.723 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+]CC3CN(S(C)(=O)=O)C3)cnc12 ZINC000495180732 648010957 /nfs/dbraw/zinc/01/09/57/648010957.db2.gz OCMHPGDSIQUTHC-UHFFFAOYSA-N 1 0 387.303 1.386 20 0 GDADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000495340529 648012271 /nfs/dbraw/zinc/01/22/71/648012271.db2.gz TXDWBQKBGCJVGY-IJEWVQPXSA-N 1 0 385.302 1.341 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000495670303 648014656 /nfs/dbraw/zinc/01/46/56/648014656.db2.gz QCCMXWVKFTXFGE-AWEZNQCLSA-N 1 0 396.329 1.908 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000497354634 648026226 /nfs/dbraw/zinc/02/62/26/648026226.db2.gz KBLSRPWTBPBUQA-FZMZJTMJSA-N 1 0 394.946 1.680 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000497366366 648027865 /nfs/dbraw/zinc/02/78/65/648027865.db2.gz POKQPPHHBOCMRK-ZDUSSCGKSA-N 1 0 393.303 1.887 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000497366092 648027923 /nfs/dbraw/zinc/02/79/23/648027923.db2.gz ONVAMGGKUNELDQ-ZDUSSCGKSA-N 1 0 380.919 1.387 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000497370222 648028277 /nfs/dbraw/zinc/02/82/77/648028277.db2.gz XEWVVXZCJMUGCF-LLVKDONJSA-N 1 0 380.919 1.163 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000497371139 648028817 /nfs/dbraw/zinc/02/88/17/648028817.db2.gz WCSYQJJVWVNWRH-MFKMUULPSA-N 1 0 380.919 1.290 20 0 GDADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)C3)cs1 ZINC000498192840 648049845 /nfs/dbraw/zinc/04/98/45/648049845.db2.gz GZYHVAMMAHGXON-GFCCVEGCSA-N 1 0 399.563 1.827 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000498218526 648052236 /nfs/dbraw/zinc/05/22/36/648052236.db2.gz XFQBVSDBMILGPS-GFCCVEGCSA-N 1 0 390.228 1.716 20 0 GDADRO CNC(=O)c1cccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)c1Br ZINC000498661696 648063751 /nfs/dbraw/zinc/06/37/51/648063751.db2.gz JRDGIHYYXCAHKG-UHFFFAOYSA-N 1 0 399.289 1.204 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c(F)cc1Br ZINC000498682715 648064862 /nfs/dbraw/zinc/06/48/62/648064862.db2.gz JNAJVKYSEDVTPD-UHFFFAOYSA-N 1 0 395.232 1.880 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCC[NH+]1CCC1 ZINC000500850972 648120960 /nfs/dbraw/zinc/12/09/60/648120960.db2.gz ORKZAIOZVNAPAG-NSHDSACASA-N 1 0 379.404 1.194 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000502838089 648174081 /nfs/dbraw/zinc/17/40/81/648174081.db2.gz BSNOCMJPVDLFBU-YPMHNXCESA-N 1 0 387.889 1.186 20 0 GDADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000502850877 648174885 /nfs/dbraw/zinc/17/48/85/648174885.db2.gz AEXMTMGCNVCLGS-ZFWWWQNUSA-N 1 0 382.302 1.912 20 0 GDADRO CCOC[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(C)C ZINC000503430106 648186320 /nfs/dbraw/zinc/18/63/20/648186320.db2.gz SWNSYNSCJRZISG-CQSZACIVSA-N 1 0 377.894 1.577 20 0 GDADRO COc1cc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)sc1S(N)(=O)=O ZINC000504163407 648205253 /nfs/dbraw/zinc/20/52/53/648205253.db2.gz JZLZKYJINYOYIZ-UHFFFAOYSA-N 1 0 377.532 1.595 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000504444455 648205993 /nfs/dbraw/zinc/20/59/93/648205993.db2.gz VDYUMIDSXJELLH-JTQLQIEISA-N 1 0 380.873 1.007 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000507338537 648241485 /nfs/dbraw/zinc/24/14/85/648241485.db2.gz GDSMYFMCCGEGLC-CQSZACIVSA-N 1 0 387.933 1.999 20 0 GDADRO COCCCS(=O)(=O)NCCN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000509048145 648265510 /nfs/dbraw/zinc/26/55/10/648265510.db2.gz VMOWQJUXOYJNQI-MRXNPFEDSA-N 1 0 375.922 1.242 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1OC ZINC000509450218 648288456 /nfs/dbraw/zinc/28/84/56/648288456.db2.gz JFRDDYQQGRFVGJ-JQWIXIFHSA-N 1 0 389.905 1.469 20 0 GDADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1 ZINC000509643917 648294948 /nfs/dbraw/zinc/29/49/48/648294948.db2.gz YQRMUFIZQAWLEE-MRXNPFEDSA-N 1 0 375.922 1.890 20 0 GDADRO C[C@H](NC(=O)CCC(=O)NCCCC[NH3+])C(=O)c1ccc(Br)cc1 ZINC000510435285 648324946 /nfs/dbraw/zinc/32/49/46/648324946.db2.gz SXWCGMZOEIHCHR-LBPRGKRZSA-N 1 0 398.301 1.772 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(=O)(=O)c1ccc(F)cc1 ZINC000510768599 648341177 /nfs/dbraw/zinc/34/11/77/648341177.db2.gz UPERLPJGNMAEJX-HZPDHXFCSA-N 1 0 392.518 1.440 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1cc(F)cc(F)c1 ZINC000510784117 648341907 /nfs/dbraw/zinc/34/19/07/648341907.db2.gz UJRBOABBILORBZ-LSDHHAIUSA-N 1 0 375.441 1.031 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)NCCNc1cc[nH+]cc1 ZINC000512042800 648395634 /nfs/dbraw/zinc/39/56/34/648395634.db2.gz VKRNZAXBOIZHBV-UHFFFAOYSA-N 1 0 377.242 1.224 20 0 GDADRO C[C@H](C[S@](C)=O)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000512740543 648414155 /nfs/dbraw/zinc/41/41/55/648414155.db2.gz PUMKZDREOHMVDS-XDMTYKONSA-N 1 0 385.555 1.130 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000513018028 648419471 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1.817 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577849844 651757975 /nfs/dbraw/zinc/75/79/75/651757975.db2.gz JMKITGBPMFZVDI-GHMZBOCLSA-N 1 0 392.262 1.521 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1cccc(Cl)c1Br ZINC000577869300 651760636 /nfs/dbraw/zinc/76/06/36/651760636.db2.gz CNFAOLIJWNOQDY-VIFPVBQESA-N 1 0 382.711 1.284 20 0 GDADRO Cc1cc(N2CC[C@@H](NC[C@H](O)C[N@@H+](C)C3CC3)C2=O)ccc1Br ZINC000578351434 651792080 /nfs/dbraw/zinc/79/20/80/651792080.db2.gz ZLFHEVHTJQNRDB-DOTOQJQBSA-N 1 0 396.329 1.908 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000578486416 651794338 /nfs/dbraw/zinc/79/43/38/651794338.db2.gz IGSYBWCALDEIHS-UHFFFAOYSA-N 1 0 380.286 1.992 20 0 GDADRO CN(CC(=O)N[C@H]1C[NH2+]CCC1(F)F)C(=O)c1ccc(Br)s1 ZINC000578865822 651820649 /nfs/dbraw/zinc/82/06/49/651820649.db2.gz AMEGMJUAZJFSDL-VIFPVBQESA-N 1 0 396.257 1.696 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000578879886 651821643 /nfs/dbraw/zinc/82/16/43/651821643.db2.gz RZHPZPYWMSKEHZ-HNNXBMFYSA-N 1 0 378.274 1.268 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000578891640 651822463 /nfs/dbraw/zinc/82/24/63/651822463.db2.gz OZCRMQFOOLRAGD-GHMZBOCLSA-N 1 0 395.319 1.878 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000578995000 651830595 /nfs/dbraw/zinc/83/05/95/651830595.db2.gz KQHRZJSFNNIOKV-AWEZNQCLSA-N 1 0 379.258 1.743 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000578995601 651830622 /nfs/dbraw/zinc/83/06/22/651830622.db2.gz ONTITZWEVSVNOJ-CYBMUJFWSA-N 1 0 394.273 1.774 20 0 GDADRO C[S@@](=O)C1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000578996211 651831134 /nfs/dbraw/zinc/83/11/34/651831134.db2.gz IGOUSKQXOQQWIE-LJQANCHMSA-N 1 0 380.329 1.724 20 0 GDADRO CC1(NC(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC[NH2+]CC1 ZINC000579215846 651841263 /nfs/dbraw/zinc/84/12/63/651841263.db2.gz ISTQMMMSBUGQEG-CYBMUJFWSA-N 1 0 386.543 1.200 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000579355757 651853160 /nfs/dbraw/zinc/85/31/60/651853160.db2.gz YHTUAOHJXQCOGC-UFBFGSQYSA-N 1 0 399.822 1.585 20 0 GDADRO C[C@@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C[C@@]1(C)C[NH3+] ZINC000579462161 651860798 /nfs/dbraw/zinc/86/07/98/651860798.db2.gz LKLGWRZZILKUOG-IAQYHMDHSA-N 1 0 389.315 1.666 20 0 GDADRO CN1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579649412 651874211 /nfs/dbraw/zinc/87/42/11/651874211.db2.gz FXDQKXVFCQRNEW-HZPDHXFCSA-N 1 0 375.897 1.849 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCCSC1 ZINC000580065482 651892294 /nfs/dbraw/zinc/89/22/94/651892294.db2.gz YSHYZOFIKGPQNK-CYBMUJFWSA-N 1 0 392.568 1.196 20 0 GDADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NC[C@H]1C[NH2+]CCO1 ZINC000580430495 651915893 /nfs/dbraw/zinc/91/58/93/651915893.db2.gz HYNLRKDMEDSCCQ-LLVKDONJSA-N 1 0 383.695 1.510 20 0 GDADRO [NH3+]C[C@@H](NC(=O)CCCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000580542748 651923857 /nfs/dbraw/zinc/92/38/57/651923857.db2.gz VBJWJTLOUNWDLB-CQSZACIVSA-N 1 0 389.315 1.857 20 0 GDADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC000580642036 651930153 /nfs/dbraw/zinc/93/01/53/651930153.db2.gz UPLFXKVYARQVIG-CQSZACIVSA-N 1 0 380.432 1.990 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)[C@H](C)N1CCOCC1 ZINC000580642557 651930726 /nfs/dbraw/zinc/93/07/26/651930726.db2.gz ZYVJWEOFQZICPG-DZKIICNBSA-N 1 0 387.318 1.888 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000580713071 651935770 /nfs/dbraw/zinc/93/57/70/651935770.db2.gz PVKYAKMENKBHGG-MJVIPROJSA-N 1 0 383.290 1.757 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000580839322 651942975 /nfs/dbraw/zinc/94/29/75/651942975.db2.gz PLMDXGPLNFCEOX-GFCCVEGCSA-N 1 0 380.388 1.994 20 0 GDADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000580946595 651949599 /nfs/dbraw/zinc/94/95/99/651949599.db2.gz TWJSSTQXTZOXHR-UHFFFAOYSA-N 1 0 394.313 1.977 20 0 GDADRO O=C(CS(=O)(=O)Cc1cccc(Br)c1)NCCC[NH2+]C1CC1 ZINC000581075318 651959281 /nfs/dbraw/zinc/95/92/81/651959281.db2.gz XORLTIGMPLWJFL-UHFFFAOYSA-N 1 0 389.315 1.622 20 0 GDADRO CC[NH+]1C[C@@H](C)N(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000581155932 651962406 /nfs/dbraw/zinc/96/24/06/651962406.db2.gz WRXDLIDIHQZOCH-VXGBXAGGSA-N 1 0 393.962 1.963 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000581339458 651973145 /nfs/dbraw/zinc/97/31/45/651973145.db2.gz ZAAKLYIRDCYTPQ-ZDUSSCGKSA-N 1 0 375.922 1.401 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cnc2c1Cl ZINC000581943434 651980836 /nfs/dbraw/zinc/98/08/36/651980836.db2.gz GWJLYWVZJDBGCB-QWHCGFSZSA-N 1 0 383.905 1.701 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1scnc1C(F)(F)F ZINC000581952966 651981936 /nfs/dbraw/zinc/98/19/36/651981936.db2.gz ARHLUKABGKCKKO-ZETCQYMHSA-N 1 0 376.326 1.728 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])s1 ZINC000582299779 651986898 /nfs/dbraw/zinc/98/68/98/651986898.db2.gz GVHZCNNFTYNDJH-AWEZNQCLSA-N 1 0 380.495 1.163 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000582301572 651987414 /nfs/dbraw/zinc/98/74/14/651987414.db2.gz LHTUBYCTVPFTCT-NXEZZACHSA-N 1 0 381.274 1.789 20 0 GDADRO O=C(CN1CC[NH2+]C[C@H]1C(F)F)Nc1ccccc1I ZINC000582546871 652003645 /nfs/dbraw/zinc/00/36/45/652003645.db2.gz QELWGEHBLIJEIS-NSHDSACASA-N 1 0 395.191 1.769 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CCCO1 ZINC000582605309 652006320 /nfs/dbraw/zinc/00/63/20/652006320.db2.gz PFJGZQQTQGIZSM-JTQLQIEISA-N 1 0 380.242 1.893 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCc4cc(Br)ccc43)CCN2C1=O ZINC000583095266 652025906 /nfs/dbraw/zinc/02/59/06/652025906.db2.gz DAMBXUOMFKOEKM-BPLDGKMQSA-N 1 0 378.270 1.249 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000583213979 652031075 /nfs/dbraw/zinc/03/10/75/652031075.db2.gz AQHBKVIUXFILHB-QMMMGPOBSA-N 1 0 376.638 1.528 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000583263323 652033110 /nfs/dbraw/zinc/03/31/10/652033110.db2.gz ROKAYNHMGIQKFE-MNOVXSKESA-N 1 0 394.273 1.815 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000584171786 652059137 /nfs/dbraw/zinc/05/91/37/652059137.db2.gz DJMNVWAFTNODQX-ZDUSSCGKSA-N 1 0 387.933 1.984 20 0 GDADRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000584247532 652064074 /nfs/dbraw/zinc/06/40/74/652064074.db2.gz AYGPNLUWPUHBKK-CJNGLKHVSA-N 1 0 383.539 1.751 20 0 GDADRO C[C@@H](C(=O)NCC(=O)Nc1ccc(I)cc1)[NH+](C)C ZINC000586826429 652096157 /nfs/dbraw/zinc/09/61/57/652096157.db2.gz YDWRRPYEZIIRSG-VIFPVBQESA-N 1 0 375.210 1.296 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000590000116 652123324 /nfs/dbraw/zinc/12/33/24/652123324.db2.gz WFWVXWAHXBNVCM-UHFFFAOYSA-N 1 0 388.555 1.831 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3ccc(I)cc3)[C@@H]2C1 ZINC000590010688 652124152 /nfs/dbraw/zinc/12/41/52/652124152.db2.gz BWVWFBVQMPCEQK-BXUZGUMPSA-N 1 0 385.249 1.866 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2cccc(I)c2)CCO1 ZINC000591272146 652157795 /nfs/dbraw/zinc/15/77/95/652157795.db2.gz DTNWYXQCEVKMLD-JOYOIKCWSA-N 1 0 375.210 1.871 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1ccccc1I ZINC000591291916 652158725 /nfs/dbraw/zinc/15/87/25/652158725.db2.gz JXRKOOTXJAFTHA-SNVBAGLBSA-N 1 0 387.221 1.488 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(C)c(I)cn1 ZINC000591290205 652158756 /nfs/dbraw/zinc/15/87/56/652158756.db2.gz XPERBAXDWOWJIO-UHFFFAOYSA-N 1 0 390.225 1.049 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c(Br)cc1F ZINC000591296412 652159856 /nfs/dbraw/zinc/15/98/56/652159856.db2.gz JBXIAIXSSNXUBY-SSDOTTSWSA-N 1 0 390.209 1.119 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591304598 652160877 /nfs/dbraw/zinc/16/08/77/652160877.db2.gz KLGJREHSABDIOX-GXFFZTMASA-N 1 0 399.232 1.440 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000591304878 652161219 /nfs/dbraw/zinc/16/12/19/652161219.db2.gz NRVVHTMVBCQCST-LURJTMIESA-N 1 0 381.601 1.347 20 0 GDADRO O=C(Nc1ccc(I)cc1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591304985 652161232 /nfs/dbraw/zinc/16/12/32/652161232.db2.gz RLGSKFPEGZJFIX-MFKMUULPSA-N 1 0 399.232 1.440 20 0 GDADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000592207204 652177077 /nfs/dbraw/zinc/17/70/77/652177077.db2.gz JEGHCNXXXBDIGJ-KWCYVHTRSA-N 1 0 388.258 1.045 20 0 GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592374313 652184061 /nfs/dbraw/zinc/18/40/61/652184061.db2.gz LBPOPSZMKQUQGD-ZYHUDNBSSA-N 1 0 384.479 1.425 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592381478 652185407 /nfs/dbraw/zinc/18/54/07/652185407.db2.gz PIUMQYXZKBOALF-GWCFXTLKSA-N 1 0 392.262 1.664 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1OC ZINC000592389765 652188443 /nfs/dbraw/zinc/18/84/43/652188443.db2.gz HMCPRJFOFRMZGD-UWVGGRQHSA-N 1 0 380.825 1.114 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](C)Oc1ccccc1Br ZINC000592557063 652195509 /nfs/dbraw/zinc/19/55/09/652195509.db2.gz YDLVZJYVZGKLNQ-WCQYABFASA-N 1 0 385.258 1.580 20 0 GDADRO COC(=O)c1cc(NC(=O)COC2(C)C[NH2+]C2)cc(Br)c1F ZINC000592566781 652195698 /nfs/dbraw/zinc/19/56/98/652195698.db2.gz KFLSBNQJLZNODA-UHFFFAOYSA-N 1 0 375.194 1.692 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)NCCOc1ccc(I)cc1 ZINC000593905775 652261481 /nfs/dbraw/zinc/26/14/81/652261481.db2.gz ATGDLDOKOVPBHH-ZDUSSCGKSA-N 1 0 391.253 1.065 20 0 GDADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CSCc1cc(=O)n3ccsc3n1)C2 ZINC000593912216 652261986 /nfs/dbraw/zinc/26/19/86/652261986.db2.gz CLDPEWFVDLPPHP-SJCJKPOMSA-N 1 0 378.523 1.577 20 0 GDADRO O=C(Nc1ccccc1I)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594059804 652268491 /nfs/dbraw/zinc/26/84/91/652268491.db2.gz VXEACSDHKGDCEZ-WDEREUQCSA-N 1 0 387.221 1.574 20 0 GDADRO COc1ccc(OCCCS(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000594464969 652296552 /nfs/dbraw/zinc/29/65/52/652296552.db2.gz BYLBFNDTYOGGTQ-IAGOWNOFSA-N 1 0 388.555 1.771 20 0 GDADRO Cn1cc(I)c(CNC2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000594506232 652309563 /nfs/dbraw/zinc/30/95/63/652309563.db2.gz NPLBTHADOVSQTD-GFCCVEGCSA-N 1 0 390.269 1.368 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594531887 652311137 /nfs/dbraw/zinc/31/11/37/652311137.db2.gz IIPXJTSZXLUPKW-UWVGGRQHSA-N 1 0 382.816 1.586 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c1F ZINC000594531774 652311314 /nfs/dbraw/zinc/31/13/14/652311314.db2.gz FJDFQYOBYUPUPZ-OAHLLOKOSA-N 1 0 378.853 1.934 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)cc1Cl ZINC000594821157 652373615 /nfs/dbraw/zinc/37/36/15/652373615.db2.gz JFEFPNUKJCUSGE-UHFFFAOYSA-N 1 0 391.921 1.288 20 0 GDADRO Cc1nc(-c2cccs2)c(CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000594885776 652386124 /nfs/dbraw/zinc/38/61/24/652386124.db2.gz KWHJNONKVWGIQF-NWDGAFQWSA-N 1 0 376.507 1.493 20 0 GDADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000594937443 652386882 /nfs/dbraw/zinc/38/68/82/652386882.db2.gz OPODVPHFFRSOGU-YUSALJHKSA-N 1 0 378.853 1.545 20 0 GDADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000594941130 652387136 /nfs/dbraw/zinc/38/71/36/652387136.db2.gz SCJXWPNNNHTAJB-YUSALJHKSA-N 1 0 378.853 1.545 20 0 GDADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc(Cl)c1OCC(N)=O ZINC000594969526 652387856 /nfs/dbraw/zinc/38/78/56/652387856.db2.gz ZYXAZTICEPMTGN-FUIYZNBFSA-N 1 0 388.917 1.992 20 0 GDADRO C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(F)c(Br)c1 ZINC000595267302 652401286 /nfs/dbraw/zinc/40/12/86/652401286.db2.gz WTFQNRPEFMOTLJ-NURSFMCSSA-N 1 0 399.264 1.603 20 0 GDADRO O=C(NCCc1ccc(I)cc1)NCC12CC(C1)C[NH2+]2 ZINC000595273159 652401301 /nfs/dbraw/zinc/40/13/01/652401301.db2.gz JBSDDYHCWVNZEW-UHFFFAOYSA-N 1 0 385.249 1.885 20 0 GDADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000595666098 652423209 /nfs/dbraw/zinc/42/32/09/652423209.db2.gz JEKLOTFAAIYRJH-DZGCQCFKSA-N 1 0 385.258 1.328 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)c1sc2c(c1I)CNC2 ZINC000595924544 652427215 /nfs/dbraw/zinc/42/72/15/652427215.db2.gz MGGSKGCRCNXVHN-MRVPVSSYSA-N 1 0 379.267 1.669 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1sc2c(c1I)CNC2 ZINC000595951494 652429135 /nfs/dbraw/zinc/42/91/35/652429135.db2.gz RDFAVAZMHPGMOE-XPUUQOCRSA-N 1 0 377.251 1.518 20 0 GDADRO C[C@]1(NC(=O)C(=O)Nc2ccc(F)cc2I)CC[NH2+]C1 ZINC000596130028 652437380 /nfs/dbraw/zinc/43/73/80/652437380.db2.gz UPPNIFSAYHSOKG-ZDUSSCGKSA-N 1 0 391.184 1.237 20 0 GDADRO O=C(Cc1ccccc1I)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000597625815 652455235 /nfs/dbraw/zinc/45/52/35/652455235.db2.gz QTNCIGBZUPSVQB-AWEZNQCLSA-N 1 0 399.276 1.340 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597862282 652461441 /nfs/dbraw/zinc/46/14/41/652461441.db2.gz ZGNQWWOYFZCSNT-KBPBESRZSA-N 1 0 379.592 1.284 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(I)c[nH]2)CCO1 ZINC000598538844 652471955 /nfs/dbraw/zinc/47/19/55/652471955.db2.gz DELGXQURVLCRSH-LBPRGKRZSA-N 1 0 391.253 1.802 20 0 GDADRO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(I)cc2)C[NH2+]1 ZINC000599107107 652478641 /nfs/dbraw/zinc/47/86/41/652478641.db2.gz ZGKNJAKPBMBAKA-GXSJLCMTSA-N 1 0 380.251 1.710 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NCCOCCC[NH3+] ZINC000599603430 652510765 /nfs/dbraw/zinc/51/07/65/652510765.db2.gz GXVLPOXMRITMFT-UHFFFAOYSA-N 1 0 392.225 1.862 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000599891500 652516946 /nfs/dbraw/zinc/51/69/46/652516946.db2.gz MWRXOHDLCBHCPJ-UHFFFAOYSA-N 1 0 386.246 1.290 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC ZINC000599899158 652517477 /nfs/dbraw/zinc/51/74/77/652517477.db2.gz IWDJJWZOCXNJST-NWDGAFQWSA-N 1 0 388.251 1.975 20 0 GDADRO O=C(NCCc1ccc(I)s1)NC[C@@H]1COCC[NH2+]1 ZINC000599908086 652517941 /nfs/dbraw/zinc/51/79/41/652517941.db2.gz NQWNIFXKZIUFHQ-SECBINFHSA-N 1 0 395.266 1.183 20 0 GDADRO CS[C@@H]1CCCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000600796480 652553788 /nfs/dbraw/zinc/55/37/88/652553788.db2.gz HXZYJSGSWOKWGS-UPJWGTAASA-N 1 0 381.464 1.716 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(F)c1I ZINC000601573818 652594930 /nfs/dbraw/zinc/59/49/30/652594930.db2.gz FEQNWVIRXDJGHF-YUMQZZPRSA-N 1 0 391.184 1.317 20 0 GDADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3[nH]nc(C4CC4)c3Br)C2)CC1 ZINC000602205024 652624171 /nfs/dbraw/zinc/62/41/71/652624171.db2.gz OBNGJSINDVOKEC-GFCCVEGCSA-N 1 0 396.333 1.948 20 0 GDADRO Cn1cc(I)c(C(=O)N(CC[NH+](C)C)C2CCCC2)n1 ZINC000602289052 652628350 /nfs/dbraw/zinc/62/83/50/652628350.db2.gz QPHILNRSHVTPGV-UHFFFAOYSA-N 1 0 390.269 1.971 20 0 GDADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1nn(C)cc1I ZINC000602316876 652630804 /nfs/dbraw/zinc/63/08/04/652630804.db2.gz WCEPFPLLBZQSFP-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO C[S@@](=O)C1(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[NH2+]CC1 ZINC000602454102 652637445 /nfs/dbraw/zinc/63/74/45/652637445.db2.gz JXVQMMGIWAAGGD-DLUDVSRJSA-N 1 0 383.901 1.062 20 0 GDADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCc2ccc(I)s2)C1 ZINC000602452189 652637546 /nfs/dbraw/zinc/63/75/46/652637546.db2.gz SBYIDKILFNNDPC-NOZJJQNGSA-N 1 0 394.278 1.778 20 0 GDADRO C[S@](=O)C1(C(=O)NCCOc2ncc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000602479349 652639318 /nfs/dbraw/zinc/63/93/18/652639318.db2.gz ITWZMOPGXIQYOX-QHCPKHFHSA-N 1 0 380.297 1.384 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000602554674 652641293 /nfs/dbraw/zinc/64/12/93/652641293.db2.gz NLRIBRHDSAOUAQ-FMKPAKJESA-N 1 0 385.555 1.343 20 0 GDADRO COc1cc(I)c(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000602595009 652642479 /nfs/dbraw/zinc/64/24/79/652642479.db2.gz FGMFHMCURZTLQV-IUCAKERBSA-N 1 0 390.221 1.870 20 0 GDADRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000602652145 652644390 /nfs/dbraw/zinc/64/43/90/652644390.db2.gz KMIXKEVJTPSTDM-DOMZBBRYSA-N 1 0 382.507 1.906 20 0 GDADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Nc3nn(C)cc3Br)C2)CC1 ZINC000603044996 652672636 /nfs/dbraw/zinc/67/26/36/652672636.db2.gz TXXGYWZPXDBCGC-CYBMUJFWSA-N 1 0 399.337 1.815 20 0 GDADRO COC(=O)c1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)c(Br)c1 ZINC000603241838 652687642 /nfs/dbraw/zinc/68/76/42/652687642.db2.gz OCMJCBCICCXHNU-UHFFFAOYSA-N 1 0 394.273 1.281 20 0 GDADRO CCOC(=O)c1nc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)ccc1Br ZINC000603398277 652710810 /nfs/dbraw/zinc/71/08/10/652710810.db2.gz NYPPSQYUPZHVNM-NSHDSACASA-N 1 0 399.289 1.577 20 0 GDADRO CCOC(=O)c1nc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1Br ZINC000603413229 652712940 /nfs/dbraw/zinc/71/29/40/652712940.db2.gz NSODIFMEVZFBGR-LBPRGKRZSA-N 1 0 399.289 1.773 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)CS(=O)(=O)NC(C)(C)C)cc1Cl ZINC000604874168 652747319 /nfs/dbraw/zinc/74/73/19/652747319.db2.gz ZFHXRFNCUOERGR-UHFFFAOYSA-N 1 0 391.921 1.937 20 0 GDADRO O=C(NCc1n[nH]cc1Br)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000606507614 652775312 /nfs/dbraw/zinc/77/53/12/652775312.db2.gz LJLQGXYZZPVCRA-LLVKDONJSA-N 1 0 386.294 1.472 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@@H]1C ZINC000607125866 652789235 /nfs/dbraw/zinc/78/92/35/652789235.db2.gz XAXIHQVJAAEEHB-QWRGUYRKSA-N 1 0 387.278 1.043 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000608032010 652811187 /nfs/dbraw/zinc/81/11/87/652811187.db2.gz VCLHIJHDOUDKRG-CYBMUJFWSA-N 1 0 375.922 1.510 20 0 GDADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC000611971530 652924123 /nfs/dbraw/zinc/92/41/23/652924123.db2.gz BZGCVERSCPECQQ-CYBMUJFWSA-N 1 0 375.487 1.063 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N[C@@H]2CC23CC[NH2+]CC3)c(C)s1 ZINC000612974570 652948397 /nfs/dbraw/zinc/94/83/97/652948397.db2.gz IIZMEXOEAXWFAF-CQSZACIVSA-N 1 0 386.543 1.085 20 0 GDADRO C[C@@H](O)C[NH+]1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000613044845 652951054 /nfs/dbraw/zinc/95/10/54/652951054.db2.gz MBXFQDPQVFPSIF-LLVKDONJSA-N 1 0 398.248 1.737 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)NC2CC[NH+](C)CC2)c(C)c1NS(C)(=O)=O ZINC000614601824 652960915 /nfs/dbraw/zinc/96/09/15/652960915.db2.gz JJSMMHTXCSQQBQ-UHFFFAOYSA-N 1 0 389.543 1.356 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1cc[nH]c(=O)c1Br ZINC000615268055 652962360 /nfs/dbraw/zinc/96/23/60/652962360.db2.gz FFANOQJFSPKABF-CHWSQXEVSA-N 1 0 384.274 1.414 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000615315426 652962690 /nfs/dbraw/zinc/96/26/90/652962690.db2.gz SSPLQYBHCPESNS-IINYFYTJSA-N 1 0 382.262 1.847 20 0 GDADRO C[NH+](C)CC1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000615515933 652963635 /nfs/dbraw/zinc/96/36/35/652963635.db2.gz VIKFAYLHCMSFAJ-UHFFFAOYSA-N 1 0 380.297 1.292 20 0 GDADRO CCN(CCCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)S(C)(=O)=O ZINC000615828193 652965334 /nfs/dbraw/zinc/96/53/34/652965334.db2.gz NUIRFTMHRFHDBO-MRXNPFEDSA-N 1 0 376.567 1.612 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[C@@H](C)[NH+](C)C)C2)s1 ZINC000617747911 652976128 /nfs/dbraw/zinc/97/61/28/652976128.db2.gz HVPNMGUIFKPOSZ-HIFRSBDPSA-N 1 0 387.571 1.914 20 0 GDADRO Cc1c(C(=O)NCC[C@@H](C)[NH+](C)C)cc(Br)cc1S(N)(=O)=O ZINC000617754271 652976190 /nfs/dbraw/zinc/97/61/90/652976190.db2.gz TWAAOWYBEWNPGE-SECBINFHSA-N 1 0 392.319 1.475 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000618197582 652980508 /nfs/dbraw/zinc/98/05/08/652980508.db2.gz QOZOUICQNQXDCR-UHFFFAOYSA-N 1 0 380.297 1.292 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 ZINC000619894316 652989695 /nfs/dbraw/zinc/98/96/95/652989695.db2.gz WNLOIXBETAEYOT-AWEZNQCLSA-N 1 0 385.555 1.676 20 0 GDADRO O=C(COc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620488035 652991504 /nfs/dbraw/zinc/99/15/04/652991504.db2.gz FKZYQGQPGXKUQM-HNNXBMFYSA-N 1 0 383.286 1.886 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)CCO1 ZINC000620976354 652994760 /nfs/dbraw/zinc/99/47/60/652994760.db2.gz HPYYEKVTQGRJDP-SNVBAGLBSA-N 1 0 395.934 1.232 20 0 GDADRO CC(C)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000621148229 652996232 /nfs/dbraw/zinc/99/62/32/652996232.db2.gz KCNSZQOWPPJMIS-OAHLLOKOSA-N 1 0 375.441 1.090 20 0 GDADRO O=C(c1ccc(Br)cc1-n1cnnn1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000621655545 652998417 /nfs/dbraw/zinc/99/84/17/652998417.db2.gz QUQMANFPGXMICS-MFKMUULPSA-N 1 0 377.246 1.249 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)C[C@@H]1C[NH3+] ZINC000621665056 652998669 /nfs/dbraw/zinc/99/86/69/652998669.db2.gz OUJPSAQZTPJZSV-MNOVXSKESA-N 1 0 379.262 1.482 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Cc1ccc(S(=O)(=O)N3CCCC3)s1)C2 ZINC000621688601 652998882 /nfs/dbraw/zinc/99/88/82/652998882.db2.gz WSWMUSHCDUMIHC-SUMWQHHRSA-N 1 0 383.539 1.415 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000621699664 652998960 /nfs/dbraw/zinc/99/89/60/652998960.db2.gz AIBJQAUISLMDIH-ZUZCIYMTSA-N 1 0 392.308 1.612 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622025270 653000897 /nfs/dbraw/zinc/00/08/97/653000897.db2.gz NSCMGFMJWGHLHK-MEBBXXQBSA-N 1 0 386.315 1.809 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2-n2cnnn2)C[C@@H]1C ZINC000622834947 653001852 /nfs/dbraw/zinc/00/18/52/653001852.db2.gz DKBHPEPBISNMDV-NWDGAFQWSA-N 1 0 393.289 1.980 20 0 GDADRO CC[NH+]1CCC(NC(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC000623016143 653002901 /nfs/dbraw/zinc/00/29/01/653002901.db2.gz KUORNMTVYPRRRF-UHFFFAOYSA-N 1 0 379.262 1.639 20 0 GDADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCCOCC[NH2+]C ZINC000624395906 653012572 /nfs/dbraw/zinc/01/25/72/653012572.db2.gz TXCJPKZGVSYKRW-UHFFFAOYSA-N 1 0 395.319 1.752 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000624415488 653013006 /nfs/dbraw/zinc/01/30/06/653013006.db2.gz MCCLAKKEZSGMFB-CYBMUJFWSA-N 1 0 389.905 1.523 20 0 GDADRO 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390.347 1.869 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000639545780 653551988 /nfs/dbraw/zinc/55/19/88/653551988.db2.gz BALLSDCNTLYTDH-OAHLLOKOSA-N 1 0 385.281 1.897 20 0 GDADRO O=C1CNC(=O)N1CCC[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639772220 653553080 /nfs/dbraw/zinc/55/30/80/653553080.db2.gz IJZVGZHSAVCCMH-GFCCVEGCSA-N 1 0 383.246 1.239 20 0 GDADRO O=C(NCc1cn(Cc2cc(F)ccc2Br)nn1)C1CC[NH2+]CC1 ZINC000640935792 653560969 /nfs/dbraw/zinc/56/09/69/653560969.db2.gz XGMROEJDQNBRRQ-UHFFFAOYSA-N 1 0 396.264 1.844 20 0 GDADRO [NH3+][C@H](c1cn(Cc2cc3c(c(Br)c2)OCO3)nn1)[C@@H]1CCCO1 ZINC000640986739 653561929 /nfs/dbraw/zinc/56/19/29/653561929.db2.gz IIODBQILFCZESY-GXTWGEPZSA-N 1 0 381.230 1.996 20 0 GDADRO COCC[C@@H]([NH3+])Cc1cn(C[C@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641197715 653562689 /nfs/dbraw/zinc/56/26/89/653562689.db2.gz YHIKJTDCLDLWTJ-OCCSQVGLSA-N 1 0 389.283 1.931 20 0 GDADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000641495450 653569760 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379.913 1.634 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643591548 653583507 /nfs/dbraw/zinc/58/35/07/653583507.db2.gz JBBBJMLZCCPWEQ-NEPJUHHUSA-N 1 0 386.315 1.822 20 0 GDADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000644015641 653594862 /nfs/dbraw/zinc/59/48/62/653594862.db2.gz OOMCKSSFISPBPK-BXUZGUMPSA-N 1 0 375.441 1.947 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1OC ZINC000644301060 653597475 /nfs/dbraw/zinc/59/74/75/653597475.db2.gz RGOZSTYBWFSORD-ZWNOBZJWSA-N 1 0 387.889 1.033 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H]1CCOC1 ZINC000644528384 653599156 /nfs/dbraw/zinc/59/91/56/653599156.db2.gz WGZDMQMFSZPRRH-CQSZACIVSA-N 1 0 375.512 1.270 20 0 GDADRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)NS(C)(=O)=O ZINC000644557379 653599293 /nfs/dbraw/zinc/59/92/93/653599293.db2.gz QNLVMBSMVPPJRF-GFCCVEGCSA-N 1 0 384.420 1.363 20 0 GDADRO O=C1NCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000644556117 653599307 /nfs/dbraw/zinc/59/93/07/653599307.db2.gz VBXBBHKLBAKKNU-PWSUYJOCSA-N 1 0 391.693 1.958 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644731940 653600204 /nfs/dbraw/zinc/60/02/04/653600204.db2.gz HMGGLPBHQJDLQE-YOEHRIQHSA-N 1 0 396.329 1.922 20 0 GDADRO CC[C@@H]1CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000644786818 653600492 /nfs/dbraw/zinc/60/04/92/653600492.db2.gz PBNQUKQEMHBHSU-OAHLLOKOSA-N 1 0 385.917 1.657 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Cn4cc(Br)cn4)on3)[C@H]2C1 ZINC000644814966 653600536 /nfs/dbraw/zinc/60/05/36/653600536.db2.gz NKLZLYYOUNMCBL-YGRLFVJLSA-N 1 0 380.246 1.458 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000645075125 653601435 /nfs/dbraw/zinc/60/14/35/653601435.db2.gz VPYLMILQXJNJBX-UHFFFAOYSA-N 1 0 386.440 1.418 20 0 GDADRO COc1ccc([C@H](C)NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1Br ZINC000645225540 653601992 /nfs/dbraw/zinc/60/19/92/653601992.db2.gz IKATXQIZNYNTMW-FZMZJTMJSA-N 1 0 398.301 1.893 20 0 GDADRO CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000645261578 653602037 /nfs/dbraw/zinc/60/20/37/653602037.db2.gz VXYRAHNLQZJNGH-KGLIPLIRSA-N 1 0 382.452 1.134 20 0 GDADRO CC[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)C(=O)NCc1cccs1 ZINC000645260206 653602065 /nfs/dbraw/zinc/60/20/65/653602065.db2.gz IPUPMUWUIIFBBH-WMLDXEAASA-N 1 0 384.571 1.879 20 0 GDADRO CO[C@H](CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)C1CCOCC1 ZINC000645615681 653604736 /nfs/dbraw/zinc/60/47/36/653604736.db2.gz QQNCNIBMLXPHRO-FUHWJXTLSA-N 1 0 376.563 1.715 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645694747 653605928 /nfs/dbraw/zinc/60/59/28/653605928.db2.gz ZGDNMHHVBGCREA-LBPRGKRZSA-N 1 0 382.237 1.862 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000645835019 653607265 /nfs/dbraw/zinc/60/72/65/653607265.db2.gz DHJQRRYZLCXGKK-VIFPVBQESA-N 1 0 381.832 1.359 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000645834728 653607275 /nfs/dbraw/zinc/60/72/75/653607275.db2.gz YSVKANKULLPTHU-NSHDSACASA-N 1 0 390.303 1.190 20 0 GDADRO Cc1nn(C)c(S(=O)(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1C(F)F ZINC000645856640 653607571 /nfs/dbraw/zinc/60/75/71/653607571.db2.gz OJLSSYRHFYINTD-UHFFFAOYSA-N 1 0 378.445 1.151 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccccc1Br ZINC000646203141 653609132 /nfs/dbraw/zinc/60/91/32/653609132.db2.gz WKVGCYHDGYFNAJ-CABCVRRESA-N 1 0 380.286 1.981 20 0 GDADRO Cc1c(Br)ccnc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000646417526 653610166 /nfs/dbraw/zinc/61/01/66/653610166.db2.gz PGIZSQBTBCEKAA-NSHDSACASA-N 1 0 384.278 1.736 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)cc1Br ZINC000646449717 653610279 /nfs/dbraw/zinc/61/02/79/653610279.db2.gz QNFPTRLENJNKSI-KGLIPLIRSA-N 1 0 384.274 1.793 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)cc1Br ZINC000646449719 653610281 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O=S(=O)(C[C@H](O)C[NH2+]Cc1ccnn1-c1ccccn1)c1cccs1 ZINC000647196012 653623128 /nfs/dbraw/zinc/62/31/28/653623128.db2.gz LZWDETWPAYJOSH-CQSZACIVSA-N 1 0 378.479 1.253 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000647210025 653623296 /nfs/dbraw/zinc/62/32/96/653623296.db2.gz FNBCTWJLYQRASC-UHFFFAOYSA-N 1 0 375.878 1.081 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[NH2+]CC2(C)C)c(OC)cc1Br ZINC000647228050 653623507 /nfs/dbraw/zinc/62/35/07/653623507.db2.gz FBMAHEFPVOPRCI-UHFFFAOYSA-N 1 0 393.303 1.839 20 0 GDADRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000647228419 653623551 /nfs/dbraw/zinc/62/35/51/653623551.db2.gz YCMTYDIRKJYXPS-UHFFFAOYSA-N 1 0 391.287 1.593 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CCO1 ZINC000647233815 653623749 /nfs/dbraw/zinc/62/37/49/653623749.db2.gz FKCKCCNSFILXDU-GWCFXTLKSA-N 1 0 392.319 1.252 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000647259678 653624594 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C[NH+](C)CCN1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1=O ZINC000651792422 653856772 /nfs/dbraw/zinc/85/67/72/653856772.db2.gz UBSAXCKJEDUQDS-UHFFFAOYSA-N 1 0 386.326 1.449 20 0 GDADRO C[NH+](C)CCN1CCN(Cc2cn3ccc(Br)cc3n2)CC1=O ZINC000651891316 653867654 /nfs/dbraw/zinc/86/76/54/653867654.db2.gz QWANHTACWHLZKS-UHFFFAOYSA-N 1 0 380.290 1.303 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000651958819 653874354 /nfs/dbraw/zinc/87/43/54/653874354.db2.gz UBGREOUIZOXOSM-UHFFFAOYSA-N 1 0 387.267 1.164 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](CO)CCF ZINC000652018022 653876784 /nfs/dbraw/zinc/87/67/84/653876784.db2.gz ISAOQGVOMLHUJP-GXFFZTMASA-N 1 0 377.254 1.773 20 0 GDADRO [NH3+]CCC1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)CC1 ZINC000652143807 653883028 /nfs/dbraw/zinc/88/30/28/653883028.db2.gz LBPHSJXZGWSWNU-UHFFFAOYSA-N 1 0 397.317 1.949 20 0 GDADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000652483796 653892365 /nfs/dbraw/zinc/89/23/65/653892365.db2.gz RYJATZWKPJKJJS-AWEZNQCLSA-N 1 0 384.571 1.854 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652634790 653894680 /nfs/dbraw/zinc/89/46/80/653894680.db2.gz UDFKPFSWAGAYDY-UHFFFAOYSA-N 1 0 384.274 1.950 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000652634624 653894788 /nfs/dbraw/zinc/89/47/88/653894788.db2.gz LMJGWRDJGCQTRP-UHFFFAOYSA-N 1 0 376.201 1.911 20 0 GDADRO COc1ccc(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1Br ZINC000652683001 653896698 /nfs/dbraw/zinc/89/66/98/653896698.db2.gz AMWHWAHDEGMNRO-UHFFFAOYSA-N 1 0 398.301 1.580 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000653049549 653904222 /nfs/dbraw/zinc/90/42/22/653904222.db2.gz RHBCCDUIWFDDKB-AWEZNQCLSA-N 1 0 382.302 1.679 20 0 GDADRO O=C(NCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)c1cccc(Br)c1 ZINC000653084049 653905979 /nfs/dbraw/zinc/90/59/79/653905979.db2.gz SQUJYOABZWCVSF-GJZGRUSLSA-N 1 0 380.286 1.826 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000653103110 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VMVFBAYKLNJTLK-JNSHFYNHSA-N 1 0 397.317 1.818 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654489949 653938120 /nfs/dbraw/zinc/93/81/20/653938120.db2.gz SXQIKPNSDHPXPL-VHDGCEQUSA-N 1 0 382.302 1.841 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654550947 653940286 /nfs/dbraw/zinc/94/02/86/653940286.db2.gz POXGZHJJNITQKF-RSUWNVLCSA-N 1 0 398.276 1.905 20 0 GDADRO Cc1nc(C(=O)NCCCN2CCC[N@@H+](C)CC2)c(Br)s1 ZINC000654783996 653945864 /nfs/dbraw/zinc/94/58/64/653945864.db2.gz OPTLJYIAWLACGG-UHFFFAOYSA-N 1 0 375.336 1.971 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000654888746 653950034 /nfs/dbraw/zinc/95/00/34/653950034.db2.gz UQFKNUKBANPBPZ-GSJFWJNXSA-N 1 0 384.274 1.853 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CCCO1 ZINC000655030118 653955141 /nfs/dbraw/zinc/95/51/41/653955141.db2.gz GUNBNGBGKNFWIY-LBPRGKRZSA-N 1 0 389.905 1.218 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@](C)(CO)OC ZINC000655807117 653991211 /nfs/dbraw/zinc/99/12/11/653991211.db2.gz IVROYRJWEWJORM-BDJLRTHQSA-N 1 0 389.290 1.449 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)C(F)(F)F ZINC000655915339 653993840 /nfs/dbraw/zinc/99/38/40/653993840.db2.gz MVOLMIJUXFEQOX-SNVBAGLBSA-N 1 0 397.195 1.368 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000655926089 653994474 /nfs/dbraw/zinc/99/44/74/653994474.db2.gz HHMFTHABXVHCMW-NSHDSACASA-N 1 0 387.811 1.693 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N(CCO)Cc1ccc(Br)s1)C(F)(F)F ZINC000655930115 653995128 /nfs/dbraw/zinc/99/51/28/653995128.db2.gz ZPTOPLIXIALHQH-MRVPVSSYSA-N 1 0 390.225 1.904 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)C(F)(F)F ZINC000655957021 653996121 /nfs/dbraw/zinc/99/61/21/653996121.db2.gz LMIRUWATCQRXQB-QMMMGPOBSA-N 1 0 375.681 1.886 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1Br ZINC000655957252 653996129 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CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)s1 ZINC000657092694 654108843 /nfs/dbraw/zinc/10/88/43/654108843.db2.gz LHKDJDGKVIJPEU-ZDUSSCGKSA-N 1 0 390.575 1.107 20 0 GDADRO COc1cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc(Cl)c1OCC(N)=O ZINC000657635234 654151798 /nfs/dbraw/zinc/15/17/98/654151798.db2.gz NNGBSHVLORUHAL-PWSUYJOCSA-N 1 0 390.889 1.268 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]C2CC(CF)(CF)C2)c1 ZINC000657912906 654170351 /nfs/dbraw/zinc/17/03/51/654170351.db2.gz CYRWQZUYHQYESO-LLVKDONJSA-N 1 0 375.441 1.599 20 0 GDADRO COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000657933346 654172199 /nfs/dbraw/zinc/17/21/99/654172199.db2.gz SZWIRNMCGWQRKF-HUUCEWRRSA-N 1 0 377.528 1.304 20 0 GDADRO CSc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000657983336 654174928 /nfs/dbraw/zinc/17/49/28/654174928.db2.gz SIFUEZGZJOBBHG-ZDUSSCGKSA-N 1 0 385.917 1.963 20 0 GDADRO CS(=O)(=O)CC1(CC[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000658080918 654180954 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384.274 1.744 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc(F)c1F ZINC000771562400 654540492 /nfs/dbraw/zinc/54/04/92/654540492.db2.gz NRTRGCFJCMRBFI-LLVKDONJSA-N 1 0 376.425 1.903 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 ZINC000671768957 654543366 /nfs/dbraw/zinc/54/33/66/654543366.db2.gz AKRMAAQVQZVJOM-UHFFFAOYSA-N 1 0 388.921 1.286 20 0 GDADRO CC[NH+](CC)CCOC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC000772055167 654554718 /nfs/dbraw/zinc/55/47/18/654554718.db2.gz URVMHGQONWJJMF-UHFFFAOYSA-N 1 0 390.527 1.392 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCOC1 ZINC000672282913 654555241 /nfs/dbraw/zinc/55/52/41/654555241.db2.gz BQQAONJCDIBQDG-OAHLLOKOSA-N 1 0 398.301 1.244 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000672694440 654562372 /nfs/dbraw/zinc/56/23/72/654562372.db2.gz UPSCAAFZQGESTH-CQSZACIVSA-N 1 0 399.333 1.737 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000772946632 654576110 /nfs/dbraw/zinc/57/61/10/654576110.db2.gz ODZSFTWCDXMRTO-LBPRGKRZSA-N 1 0 382.404 1.898 20 0 GDADRO CNC(=O)C(C)(C)C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000772950316 654576387 /nfs/dbraw/zinc/57/63/87/654576387.db2.gz OGGRMIBQRMZRNE-NSHDSACASA-N 1 0 376.910 1.066 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000673522054 654576452 /nfs/dbraw/zinc/57/64/52/654576452.db2.gz SKBQQTTWRWDQAY-WFASDCNBSA-N 1 0 388.295 1.637 20 0 GDADRO COCC[N@@H+]1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C[C@H]1C ZINC000673696339 654581184 /nfs/dbraw/zinc/58/11/84/654581184.db2.gz QDEKVQUTLZDSPS-LLVKDONJSA-N 1 0 381.420 1.510 20 0 GDADRO C[C@@H]1Cc2cc(S(=O)(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc(Cl)c2O1 ZINC000736333398 654592167 /nfs/dbraw/zinc/59/21/67/654592167.db2.gz VTVHGLZTAYOTAT-XBFCOCLRSA-N 1 0 386.901 1.805 20 0 GDADRO C[NH+]1CCC(ONC(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 ZINC000773550035 654597078 /nfs/dbraw/zinc/59/70/78/654597078.db2.gz HFCDRRXDVWUCGN-UHFFFAOYSA-N 1 0 391.287 1.608 20 0 GDADRO CC1(C)CC(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC(C)(C)[NH2+]1 ZINC000674308787 654597133 /nfs/dbraw/zinc/59/71/33/654597133.db2.gz YAYAEPAEZKOQRA-UHFFFAOYSA-N 1 0 387.278 1.137 20 0 GDADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000674406098 654599146 /nfs/dbraw/zinc/59/91/46/654599146.db2.gz KJSHTMXMUHMJJZ-SSDOTTSWSA-N 1 0 396.644 1.219 20 0 GDADRO CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000674607893 654605055 /nfs/dbraw/zinc/60/50/55/654605055.db2.gz FLCXGHYIXKBPLK-ZJUUUORDSA-N 1 0 378.420 1.940 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000675898747 654628065 /nfs/dbraw/zinc/62/80/65/654628065.db2.gz DHKURBDSBKDQOM-CYBMUJFWSA-N 1 0 390.299 1.802 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000676353151 654639136 /nfs/dbraw/zinc/63/91/36/654639136.db2.gz LLEXCAZLAPNHPW-GFCCVEGCSA-N 1 0 393.506 1.350 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000676468985 654643514 /nfs/dbraw/zinc/64/35/14/654643514.db2.gz UAXYEOGJSLPDOV-AWEZNQCLSA-N 1 0 388.559 1.542 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCc1ccc(Cl)nc1)c1cccs1 ZINC000774861205 654643835 /nfs/dbraw/zinc/64/38/35/654643835.db2.gz VJJTXCBYABEDBS-CYBMUJFWSA-N 1 0 380.901 1.874 20 0 GDADRO COCCNc1nn(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(=S)s1 ZINC000738209348 654651455 /nfs/dbraw/zinc/65/14/55/654651455.db2.gz RDTYVLKPMMJIPK-CQSZACIVSA-N 1 0 386.591 1.402 20 0 GDADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000775158030 654656646 /nfs/dbraw/zinc/65/66/46/654656646.db2.gz CEELTUZYRAGDMZ-LLVKDONJSA-N 1 0 380.316 1.302 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000738440405 654657973 /nfs/dbraw/zinc/65/79/73/654657973.db2.gz SPKGASBIVFMTIN-JHJVBQTASA-N 1 0 388.921 1.338 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=S)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000739447183 654662055 /nfs/dbraw/zinc/66/20/55/654662055.db2.gz BLAOTNIDWRKJLQ-OAHLLOKOSA-N 1 0 382.555 1.126 20 0 GDADRO O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)NC[C@H]1CCCCO1 ZINC000775405284 654666082 /nfs/dbraw/zinc/66/60/82/654666082.db2.gz BNFJNDTWAWUOAC-APIJFGDWSA-N 1 0 380.601 1.444 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000775586839 654669478 /nfs/dbraw/zinc/66/94/78/654669478.db2.gz PPLNIRGNSFIJHS-DAXOMENPSA-N 1 0 390.527 1.366 20 0 GDADRO C[NH+](C)CCCNC(=S)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000741481807 654689432 /nfs/dbraw/zinc/68/94/32/654689432.db2.gz AODJPMSOWGWCAN-CYBMUJFWSA-N 1 0 385.559 1.358 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000678611385 654691803 /nfs/dbraw/zinc/69/18/03/654691803.db2.gz YMIPBHWYMGWLFY-GFCCVEGCSA-N 1 0 389.880 1.598 20 0 GDADRO CN1C(=O)C[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000678611700 654692012 /nfs/dbraw/zinc/69/20/12/654692012.db2.gz IHGWQRHQBKHAKR-WBVHZDCISA-N 1 0 385.917 1.625 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000741865502 654693286 /nfs/dbraw/zinc/69/32/86/654693286.db2.gz QSTMQRMAGIEGPM-HNNXBMFYSA-N 1 0 380.539 1.580 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000742302437 654701527 /nfs/dbraw/zinc/70/15/27/654701527.db2.gz ZBJIRALPRHPSNM-GJZGRUSLSA-N 1 0 375.535 1.742 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000742304697 654701787 /nfs/dbraw/zinc/70/17/87/654701787.db2.gz WQTVTZOVMZMLTD-HOCLYGCPSA-N 1 0 375.535 1.599 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@](C)(O)c1ccco1 ZINC000742374933 654704691 /nfs/dbraw/zinc/70/46/91/654704691.db2.gz BJUACZDNTCUWPB-WBMJQRKESA-N 1 0 387.889 1.795 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000742653166 654707973 /nfs/dbraw/zinc/70/79/73/654707973.db2.gz LGPWREBLFDDKHL-ZDUSSCGKSA-N 1 0 385.258 1.477 20 0 GDADRO CCS(=O)(=O)CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000743264278 654714947 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CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCS(=O)(=O)NCC2CCC2)C1 ZINC000779099501 654754847 /nfs/dbraw/zinc/75/48/47/654754847.db2.gz KMKKIEVWYUIBRH-OAHLLOKOSA-N 1 0 375.535 1.695 20 0 GDADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000779216305 654756427 /nfs/dbraw/zinc/75/64/27/654756427.db2.gz SLTREROSTNPOCC-HIFRSBDPSA-N 1 0 375.535 1.646 20 0 GDADRO CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NCC[NH3+])c1 ZINC000746275111 654756809 /nfs/dbraw/zinc/75/68/09/654756809.db2.gz FGSAYFVILVEXFC-UHFFFAOYSA-N 1 0 378.292 1.072 20 0 GDADRO COCCS(=O)(=O)CCC[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746659470 654766223 /nfs/dbraw/zinc/76/62/23/654766223.db2.gz VKUMXZWZQKXHIH-UHFFFAOYSA-N 1 0 378.535 1.769 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000746665797 654766270 /nfs/dbraw/zinc/76/62/70/654766270.db2.gz VOTPJULROTWVMM-NSHDSACASA-N 1 0 388.946 1.864 20 0 GDADRO C[C@H]1CN(Cn2nnn(Cc3cccs3)c2=S)CC[N@@H+]1CC(C)(C)O ZINC000780510662 654786008 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COc1cc(CN2CC[C@@H](S(N)(=O)=O)C2)cc(OC)c1OCC(F)F ZINC000685429517 654818205 /nfs/dbraw/zinc/81/82/05/654818205.db2.gz PDRLFMGDCUAZAH-LLVKDONJSA-N 1 0 380.413 1.211 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2ncc(I)n2c1 ZINC000749357011 654830298 /nfs/dbraw/zinc/83/02/98/654830298.db2.gz MUNHNMHAWYWCFD-NSHDSACASA-N 1 0 396.232 1.905 20 0 GDADRO COc1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cnc1Cl ZINC000782482928 654833131 /nfs/dbraw/zinc/83/31/31/654833131.db2.gz MYIKZDCEMIYSFY-OCCSQVGLSA-N 1 0 391.946 1.944 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749416658 654833460 /nfs/dbraw/zinc/83/34/60/654833460.db2.gz MEJQUHWGKIXSBI-UHFFFAOYSA-N 1 0 381.278 1.887 20 0 GDADRO CO[C@]1(C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CCS(=O)(=O)C1 ZINC000721261804 654838685 /nfs/dbraw/zinc/83/86/85/654838685.db2.gz SEQAPXGKJLACBX-KEYYUXOJSA-N 1 0 376.519 1.568 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CS1 ZINC000721725087 654838968 /nfs/dbraw/zinc/83/89/68/654838968.db2.gz MENWOYSIKLLTQM-HZSPNIEDSA-N 1 0 378.560 1.894 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC[NH2+][C@@H]2CCCOCC2)C1 ZINC000721743140 654839128 /nfs/dbraw/zinc/83/91/28/654839128.db2.gz BNSRAIFNCDESQU-CABCVRRESA-N 1 0 376.519 1.569 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC[NH2+]C[C@@H]2CCCOC2)C1 ZINC000721747091 654839408 /nfs/dbraw/zinc/83/94/08/654839408.db2.gz VLZOHFXQODGPTN-GJZGRUSLSA-N 1 0 376.519 1.427 20 0 GDADRO COC(C)(C)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721752550 654839657 /nfs/dbraw/zinc/83/96/57/654839657.db2.gz LZAVHTGKGSRYMP-ZIAGYGMSSA-N 1 0 378.535 1.814 20 0 GDADRO OCCCC[NH+]1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000750055588 654847356 /nfs/dbraw/zinc/84/73/56/654847356.db2.gz YLECZUXDHCRIEU-INIZCTEOSA-N 1 0 387.318 1.579 20 0 GDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC=C(Br)C1 ZINC000799839450 654861152 /nfs/dbraw/zinc/86/11/52/654861152.db2.gz ZQXYTUJZZBMSOL-UHFFFAOYSA-N 1 0 376.214 1.717 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000751044797 654869820 /nfs/dbraw/zinc/86/98/20/654869820.db2.gz PIWJSHTWRADUBV-LBPRGKRZSA-N 1 0 387.889 1.771 20 0 GDADRO O=S(=O)(NC1CCC([NH+]2CCCCC2)CC1)C1CCS(=O)(=O)CC1 ZINC000751124246 654873592 /nfs/dbraw/zinc/87/35/92/654873592.db2.gz NZIIPWQDSWVHGK-UHFFFAOYSA-N 1 0 378.560 1.280 20 0 GDADRO CC[NH+](CC)CCCOC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000800152467 654875281 /nfs/dbraw/zinc/87/52/81/654875281.db2.gz WWTBZJSEJRJGJD-UHFFFAOYSA-N 1 0 389.543 1.641 20 0 GDADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=S)NCCS(C)(=O)=O)cc2)C1 ZINC000729155073 654902746 /nfs/dbraw/zinc/90/27/46/654902746.db2.gz QIYBBYRWBHHZNH-OAHLLOKOSA-N 1 0 383.583 1.927 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)/C=C/c2ccc(Br)o2)C1 ZINC000729359929 654908491 /nfs/dbraw/zinc/90/84/91/654908491.db2.gz MKGQLRJGIBXGDC-PZBABLGHSA-N 1 0 384.274 1.759 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000801098943 654909096 /nfs/dbraw/zinc/90/90/96/654909096.db2.gz QKGPZLRTGGYTNC-GXTWGEPZSA-N 1 0 398.349 1.589 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc(I)n1 ZINC000830017921 654925369 /nfs/dbraw/zinc/92/53/69/654925369.db2.gz ZZWLMLLAQJBEGR-APPZFPTMSA-N 1 0 377.251 1.960 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000785433003 654917350 /nfs/dbraw/zinc/91/73/50/654917350.db2.gz ANBYXQHMSOFIDP-SNVBAGLBSA-N 1 0 387.303 1.942 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000785445941 654917769 /nfs/dbraw/zinc/91/77/69/654917769.db2.gz NOTGKPRLFFKRGU-MRXNPFEDSA-N 1 0 392.257 1.527 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000785487111 654918507 /nfs/dbraw/zinc/91/85/07/654918507.db2.gz UZTXIAIPIGBYJA-UHFFFAOYSA-N 1 0 377.308 1.229 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000729880954 654919462 /nfs/dbraw/zinc/91/94/62/654919462.db2.gz PXNQKESSSIKRDB-UHFFFAOYSA-N 1 0 375.441 1.976 20 0 GDADRO C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)c3c[nH]nc3Cl)cc2)CC1 ZINC000829998404 654923677 /nfs/dbraw/zinc/92/36/77/654923677.db2.gz JQQROBYDEBAULS-UHFFFAOYSA-N 1 0 383.905 1.289 20 0 GDADRO COC(=O)c1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c(Br)c1 ZINC000785851463 654926661 /nfs/dbraw/zinc/92/66/61/654926661.db2.gz ZKOIPDSGZPPVCL-OAHLLOKOSA-N 1 0 396.285 1.242 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=S)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000730734957 654935870 /nfs/dbraw/zinc/93/58/70/654935870.db2.gz MPIXHMGZVYPYEU-OAHLLOKOSA-N 1 0 382.555 1.269 20 0 GDADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000730815229 654937683 /nfs/dbraw/zinc/93/76/83/654937683.db2.gz LOJYKGLGVRAVHY-UHFFFAOYSA-N 1 0 378.926 1.550 20 0 GDADRO COC1CC[NH+](C2(CNC(=O)N(C)CCS(C)(=O)=O)CCCC2)CC1 ZINC000730915189 654938790 /nfs/dbraw/zinc/93/87/90/654938790.db2.gz ZOUMUQPNZGTCRT-UHFFFAOYSA-N 1 0 375.535 1.096 20 0 GDADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000753028281 654940753 /nfs/dbraw/zinc/94/07/53/654940753.db2.gz GRQIPYVCBTWVEJ-OLZOCXBDSA-N 1 0 390.937 1.637 20 0 GDADRO C[C@@H]1C[N@H+](CCCNC(=O)c2c(Br)nc3n2CCC3)CCCO1 ZINC000830488745 654946823 /nfs/dbraw/zinc/94/68/23/654946823.db2.gz XRTCBTPCMAOJAL-GFCCVEGCSA-N 1 0 385.306 1.823 20 0 GDADRO O=C(NCc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786626853 654946962 /nfs/dbraw/zinc/94/69/62/654946962.db2.gz KJIOYZMTDDUVGJ-CABCVRRESA-N 1 0 396.285 1.045 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000753431059 654950687 /nfs/dbraw/zinc/95/06/87/654950687.db2.gz ANNSOSTYPNMWSZ-UHFFFAOYSA-N 1 0 389.905 1.042 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000786868493 654952090 /nfs/dbraw/zinc/95/20/90/654952090.db2.gz KRNUGKHZUSERLQ-NSHDSACASA-N 1 0 391.950 1.354 20 0 GDADRO [NH3+]CCCCCCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000831160903 654974619 /nfs/dbraw/zinc/97/46/19/654974619.db2.gz KUSPSBXNJWUFNI-UHFFFAOYSA-N 1 0 378.445 1.061 20 0 GDADRO CS[C@H]1CN(C(=O)c2csc(I)n2)C[C@H]1[NH+](C)C ZINC000831301057 654979365 /nfs/dbraw/zinc/97/93/65/654979365.db2.gz ZTEVONDRIGMTJP-BDAKNGLRSA-N 1 0 397.307 1.865 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)s1 ZINC000788063564 654980432 /nfs/dbraw/zinc/98/04/32/654980432.db2.gz TZWIZHFYEYJFBS-LBPRGKRZSA-N 1 0 391.559 1.901 20 0 GDADRO COc1cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cnc1Br ZINC000788251129 654988464 /nfs/dbraw/zinc/98/84/64/654988464.db2.gz VLQXCMQXRQDBFQ-LBPRGKRZSA-N 1 0 385.306 1.609 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cccnc1Br ZINC000755431998 654991877 /nfs/dbraw/zinc/99/18/77/654991877.db2.gz SIMBPQDWHZMNKE-UHFFFAOYSA-N 1 0 387.278 1.257 20 0 GDADRO O=C(c1ccc(N2CCCS2(=O)=O)cc1Cl)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000831705691 654993165 /nfs/dbraw/zinc/99/31/65/654993165.db2.gz AXBHJLIWZYTPOC-BLLLJJGKSA-N 1 0 383.901 1.704 20 0 GDADRO CCO[C@@H](CNC(=O)c1ccc(I)c(O)c1)C[NH+](C)C ZINC000831731773 654994748 /nfs/dbraw/zinc/99/47/48/654994748.db2.gz UBBZONBNXXTEFT-NSHDSACASA-N 1 0 392.237 1.693 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@]3(F)CC[NH2+]C3)C2=O)ccc1Br ZINC000832014346 655005868 /nfs/dbraw/zinc/00/58/68/655005868.db2.gz UDCPLUIMMPIXOX-CZUORRHYSA-N 1 0 384.249 1.681 20 0 GDADRO CCC(CC)[C@@H](CNS(=O)(=O)c1cccc(S(=O)(=O)NC)c1)[NH+](C)C ZINC000788920152 655008343 /nfs/dbraw/zinc/00/83/43/655008343.db2.gz OJOFWPVOUBUPBH-MRXNPFEDSA-N 1 0 391.559 1.239 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2nc(C)n(C)c2Br)C[C@H]1C ZINC000805014386 655011522 /nfs/dbraw/zinc/01/15/22/655011522.db2.gz YSKWKYPSXBOOFS-PWSUYJOCSA-N 1 0 393.351 1.984 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000832214557 655018988 /nfs/dbraw/zinc/01/89/88/655018988.db2.gz IYNJDGZQEORDAV-QWHCGFSZSA-N 1 0 385.452 1.001 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000789552872 655024302 /nfs/dbraw/zinc/02/43/02/655024302.db2.gz FVRYQUHKAHAKLO-JTQLQIEISA-N 1 0 385.262 1.392 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000789555864 655024601 /nfs/dbraw/zinc/02/46/01/655024601.db2.gz WBXJTGISKQVPDP-GHMZBOCLSA-N 1 0 397.273 1.534 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000805114311 655026079 /nfs/dbraw/zinc/02/60/79/655026079.db2.gz UQVJWRBVHSUCRF-NWDGAFQWSA-N 1 0 387.889 1.769 20 0 GDADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000805180631 655030938 /nfs/dbraw/zinc/03/09/38/655030938.db2.gz ANXNUMUOJLHAHT-UONOGXRCSA-N 1 0 383.436 1.561 20 0 GDADRO CC[S@](=O)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000805608434 655041775 /nfs/dbraw/zinc/04/17/75/655041775.db2.gz CWBLDMQYBAHJPH-VWLOTQADSA-N 1 0 387.933 1.115 20 0 GDADRO COCCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832645755 655042693 /nfs/dbraw/zinc/04/26/93/655042693.db2.gz OWUGESMGCDRJJB-CQSZACIVSA-N 1 0 378.535 1.815 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1(C)C ZINC000832650522 655042910 /nfs/dbraw/zinc/04/29/10/655042910.db2.gz YSNOYEWMRYFGKN-KGLIPLIRSA-N 1 0 375.535 1.646 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)CC(F)(F)Br)C1 ZINC000805836376 655046407 /nfs/dbraw/zinc/04/64/07/655046407.db2.gz QNXZCMBBXZIPLB-GFCCVEGCSA-N 1 0 386.281 1.379 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2scnc2Br)CC1 ZINC000758132580 655052030 /nfs/dbraw/zinc/05/20/30/655052030.db2.gz HSGOZJHIFLQPFZ-UHFFFAOYSA-N 1 0 389.319 1.578 20 0 GDADRO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N[C@H](C)CC[NH3+] ZINC000834453453 655068371 /nfs/dbraw/zinc/06/83/71/655068371.db2.gz SDALJUZPAUAZCW-QCIVWTMKSA-N 1 0 385.555 1.552 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000834457228 655068632 /nfs/dbraw/zinc/06/86/32/655068632.db2.gz NUWYQJKUENUMOK-VIFPVBQESA-N 1 0 390.303 1.357 20 0 GDADRO COC1([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCOCC1 ZINC000834578058 655073381 /nfs/dbraw/zinc/07/33/81/655073381.db2.gz AXGSHPPSVSLNSU-LBPRGKRZSA-N 1 0 388.452 1.722 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000834588992 655073610 /nfs/dbraw/zinc/07/36/10/655073610.db2.gz HYOSEOSSYFDXSU-UHFFFAOYSA-N 1 0 389.905 1.218 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2nc(Br)ccc2F)ccc1=O ZINC000791673685 655075797 /nfs/dbraw/zinc/07/57/97/655075797.db2.gz QSWFNRLVBRXRQR-UHFFFAOYSA-N 1 0 383.221 1.959 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000834826887 655080134 /nfs/dbraw/zinc/08/01/34/655080134.db2.gz QHUOBPUHNJBEKX-QMMMGPOBSA-N 1 0 380.297 1.901 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)[C@@H](CCSC)NS(=O)(=O)/C=C\c1ccccc1 ZINC000834827802 655080325 /nfs/dbraw/zinc/08/03/25/655080325.db2.gz WZZPBCPFHOAHJA-WQHRRFGKSA-N 1 0 385.555 1.552 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C(F)F ZINC000834830564 655080576 /nfs/dbraw/zinc/08/05/76/655080576.db2.gz LFHSWPYZYZULAG-GFCCVEGCSA-N 1 0 381.832 1.592 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000834871497 655081626 /nfs/dbraw/zinc/08/16/26/655081626.db2.gz QBTDWRHVTNSJOX-JJRVBVJISA-N 1 0 376.519 1.352 20 0 GDADRO C[C@@H]([NH2+]CCC(C)(C)CO)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834871457 655081735 /nfs/dbraw/zinc/08/17/35/655081735.db2.gz PKAQOJFNRLUGGN-CYBMUJFWSA-N 1 0 392.543 1.471 20 0 GDADRO CC[C@H]([NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)[C@H](C)O ZINC000834889466 655082153 /nfs/dbraw/zinc/08/21/53/655082153.db2.gz YCXWILFTJLJVSE-XUJVJEKNSA-N 1 0 378.516 1.222 20 0 GDADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000759379748 655083255 /nfs/dbraw/zinc/08/32/55/655083255.db2.gz MCLJACUUDFUPLV-SECBINFHSA-N 1 0 389.681 1.812 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000807891525 655092716 /nfs/dbraw/zinc/09/27/16/655092716.db2.gz WHUAZAMCOIBFGZ-CQSZACIVSA-N 1 0 384.933 1.685 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000835254737 655093883 /nfs/dbraw/zinc/09/38/83/655093883.db2.gz JKMMCRGRXKPKII-LBPRGKRZSA-N 1 0 381.274 1.786 20 0 GDADRO Cc1n[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1Br ZINC000759898058 655097700 /nfs/dbraw/zinc/09/77/00/655097700.db2.gz PTBBFVPKEMJRNQ-NSHDSACASA-N 1 0 388.310 1.303 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)c1ncc(I)cn1 ZINC000808131052 655099096 /nfs/dbraw/zinc/09/90/96/655099096.db2.gz FZEPMCBJZZBSQW-UHFFFAOYSA-N 1 0 377.274 1.401 20 0 GDADRO CS[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000760207793 655104899 /nfs/dbraw/zinc/10/48/99/655104899.db2.gz GYUQIEMGLSQHGK-XQQFMLRXSA-N 1 0 375.560 1.800 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)C[C@@H]1[NH+](C)C ZINC000760208154 655104945 /nfs/dbraw/zinc/10/49/45/655104945.db2.gz KAAGOOUWIISZIH-GRYCIOLGSA-N 1 0 383.436 1.654 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)nc1Br ZINC000793046658 655108331 /nfs/dbraw/zinc/10/83/31/655108331.db2.gz NGYNHBRAWZZCBR-VXGBXAGGSA-N 1 0 383.290 1.890 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)nc1Br ZINC000793046875 655108338 /nfs/dbraw/zinc/10/83/38/655108338.db2.gz PJZRYCWEVFLTCX-GFCCVEGCSA-N 1 0 381.274 1.786 20 0 GDADRO C[NH+]1CCC(CNC(=S)Nc2cccc(OCCS(C)(=O)=O)c2)CC1 ZINC000760479362 655115008 /nfs/dbraw/zinc/11/50/08/655115008.db2.gz XYCCOOYWMZMGRE-UHFFFAOYSA-N 1 0 385.555 1.738 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 ZINC000760561419 655117691 /nfs/dbraw/zinc/11/76/91/655117691.db2.gz PTMXZUVNJDCCIL-ZDUSSCGKSA-N 1 0 388.921 1.346 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)NCCc1ccc(Br)cc1F)C1CC1 ZINC000793939650 655127573 /nfs/dbraw/zinc/12/75/73/655127573.db2.gz XUYTUYDYQCIOPJ-UHFFFAOYSA-N 1 0 386.265 1.457 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(Br)cc1F ZINC000809403727 655128611 /nfs/dbraw/zinc/12/86/11/655128611.db2.gz FSKTWXHEIRJUBO-MEBBXXQBSA-N 1 0 398.276 1.803 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000809693831 655135448 /nfs/dbraw/zinc/13/54/48/655135448.db2.gz DVSCTZFQJXMHAR-HNNXBMFYSA-N 1 0 375.535 1.647 20 0 GDADRO O=C1NC(=O)C2(CC[NH+](Cc3ccccc3I)CC2)N1 ZINC000761216734 655137973 /nfs/dbraw/zinc/13/79/73/655137973.db2.gz OTRZIOXKJRIQLM-UHFFFAOYSA-N 1 0 385.205 1.465 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836326266 655140018 /nfs/dbraw/zinc/14/00/18/655140018.db2.gz XRKBCAKLXLTZQE-OAHLLOKOSA-N 1 0 388.306 1.750 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000810046659 655146403 /nfs/dbraw/zinc/14/64/03/655146403.db2.gz SZUBEPTYLFHZHA-OAHLLOKOSA-N 1 0 377.551 1.847 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000810073673 655148124 /nfs/dbraw/zinc/14/81/24/655148124.db2.gz DLVKIZYQYIJAAL-CABCVRRESA-N 1 0 377.551 1.893 20 0 GDADRO C[C@H]([NH2+]CCc1cn[nH]c1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000810248020 655154109 /nfs/dbraw/zinc/15/41/09/655154109.db2.gz NDXWWMXNJGJYKQ-LBPRGKRZSA-N 1 0 386.499 1.029 20 0 GDADRO CC(C)C[C@H](C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000811475487 655197623 /nfs/dbraw/zinc/19/76/23/655197623.db2.gz HCDDRFFLJYHQDO-LSDHHAIUSA-N 1 0 377.551 1.939 20 0 GDADRO C[NH+]1CCC(CNC(=S)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000811712419 655203177 /nfs/dbraw/zinc/20/31/77/655203177.db2.gz SPIGIOQFNIRJKX-CYBMUJFWSA-N 1 0 380.480 1.593 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000764280492 655213338 /nfs/dbraw/zinc/21/33/38/655213338.db2.gz ZUVBZKFBIWCINN-SNVBAGLBSA-N 1 0 377.869 1.731 20 0 GDADRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000796483922 655213436 /nfs/dbraw/zinc/21/34/36/655213436.db2.gz MDLNJCXJWSOETF-KGLIPLIRSA-N 1 0 377.551 1.987 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796683866 655217348 /nfs/dbraw/zinc/21/73/48/655217348.db2.gz PRNTYVBLYCTVMM-INIZCTEOSA-N 1 0 375.535 1.791 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=S)NCc3ccc(S(N)(=O)=O)cc3)CC[C@@H]21 ZINC000764493132 655217413 /nfs/dbraw/zinc/21/74/13/655217413.db2.gz XQWIGXMYRJIQBN-ZBFHGGJFSA-N 1 0 382.555 1.125 20 0 GDADRO Cc1cc(NC(=O)C[NH2+]C2CCS(=O)(=O)CC2)ccc1Br ZINC000812832622 655221384 /nfs/dbraw/zinc/22/13/84/655221384.db2.gz WJUSQYSTEDOQRP-UHFFFAOYSA-N 1 0 375.288 1.863 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)C1 ZINC000812972974 655223802 /nfs/dbraw/zinc/22/38/02/655223802.db2.gz PWWWKQYWSJUNSF-DYVFJYSZSA-N 1 0 389.562 1.676 20 0 GDADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000796974167 655226797 /nfs/dbraw/zinc/22/67/97/655226797.db2.gz DMUPIACLQXGWGA-IHRRRGAJSA-N 1 0 376.519 1.472 20 0 GDADRO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCNS(=O)(=O)N(C)C ZINC000813331903 655235137 /nfs/dbraw/zinc/23/51/37/655235137.db2.gz RUXUVLFYCXVTHF-KBPBESRZSA-N 1 0 378.539 1.150 20 0 GDADRO CC(C)(C)OC(=O)NCC1(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000839073626 655239094 /nfs/dbraw/zinc/23/90/94/655239094.db2.gz CZFUBMJQXHEHJR-UONOGXRCSA-N 1 0 375.535 1.599 20 0 GDADRO CN(C)S(=O)(=O)NCC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000839089924 655239301 /nfs/dbraw/zinc/23/93/01/655239301.db2.gz GGQSYOWHGWVBHU-UHFFFAOYSA-N 1 0 378.539 1.056 20 0 GDADRO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765448384 655240561 /nfs/dbraw/zinc/24/05/61/655240561.db2.gz DNVZOIGLEPVUKQ-UONOGXRCSA-N 1 0 391.559 1.403 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000813738422 655244320 /nfs/dbraw/zinc/24/43/20/655244320.db2.gz HHJBGUAPKGRXCH-SKDRFNHKSA-N 1 0 393.278 1.921 20 0 GDADRO C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000797584175 655246590 /nfs/dbraw/zinc/24/65/90/655246590.db2.gz IHYLJDFJPLRMAS-VIFPVBQESA-N 1 0 379.276 1.510 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2scnc2Cl)c1 ZINC000765732292 655247626 /nfs/dbraw/zinc/24/76/26/655247626.db2.gz VFTKWMMSQPIZCX-UHFFFAOYSA-N 1 0 388.902 1.889 20 0 GDADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)N(C)C ZINC000765773440 655249202 /nfs/dbraw/zinc/24/92/02/655249202.db2.gz BNHCNIPHSWCMDX-STQMWFEESA-N 1 0 377.532 1.013 20 0 GDADRO CCCCC[C@@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000839543958 655252501 /nfs/dbraw/zinc/25/25/01/655252501.db2.gz FORYUICLTOXXPH-ZIAGYGMSSA-N 1 0 375.535 1.584 20 0 GDADRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765956185 655253950 /nfs/dbraw/zinc/25/39/50/655253950.db2.gz DNXWVYOCAJTJEZ-BBRMVZONSA-N 1 0 390.527 1.489 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765961691 655254271 /nfs/dbraw/zinc/25/42/71/655254271.db2.gz DTAOTBWTLNAMAF-JQWIXIFHSA-N 1 0 395.257 1.300 20 0 GDADRO CCOC(=O)[C@@H]1[C@H]([NH2+]CC[C@H](C)[S@](C)=O)CCN1C(=O)OC(C)(C)C ZINC000798181730 655256199 /nfs/dbraw/zinc/25/61/99/655256199.db2.gz NWMQTYRKGVNQMH-QBSBMQLGSA-N 1 0 376.519 1.674 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccn4c(I)cnc34)[C@@H]2C1 ZINC000814145504 655257768 /nfs/dbraw/zinc/25/77/68/655257768.db2.gz NNRGROMGUMPRQS-ZYHUDNBSSA-N 1 0 396.232 1.715 20 0 GDADRO O=C1c2ccc(Br)cc2C(=O)N1CN1CC[C@H]([NH+]2CC=CC2)C1 ZINC000766096289 655258910 /nfs/dbraw/zinc/25/89/10/655258910.db2.gz WAJYRBVXBDQJMY-ZDUSSCGKSA-N 1 0 376.254 1.949 20 0 GDADRO COC(=O)CN(C)C(=O)CC[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839638571 655259595 /nfs/dbraw/zinc/25/95/95/655259595.db2.gz DUCOPXZOTHSNLE-AWEZNQCLSA-N 1 0 387.274 1.436 20 0 GDADRO Cc1cc(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)cnc1Cl ZINC000814281245 655260303 /nfs/dbraw/zinc/26/03/03/655260303.db2.gz OATYLHGBEQETBC-UHFFFAOYSA-N 1 0 388.921 1.314 20 0 GDADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766189574 655261178 /nfs/dbraw/zinc/26/11/78/655261178.db2.gz ISONVCFDVYUBKI-YDHLFZDLSA-N 1 0 390.527 1.488 20 0 GDADRO C[NH+](C)CCNC(=S)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000798384729 655265057 /nfs/dbraw/zinc/26/50/57/655265057.db2.gz SNMDRAOXRAKEJW-UHFFFAOYSA-N 1 0 388.335 1.529 20 0 GDADRO O=C1C[C@@]2(CC[N@@H+](CN3CC[C@H](c4cccc(Br)c4)C3=O)C2)CN1 ZINC000840059717 655274451 /nfs/dbraw/zinc/27/44/51/655274451.db2.gz LOSIUSSUSQBEHF-QAPCUYQASA-N 1 0 392.297 1.935 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(Cn3nnn(Cc4cccs4)c3=S)[C@H]2C1 ZINC000840083577 655275611 /nfs/dbraw/zinc/27/56/11/655275611.db2.gz IVUPLHZDCNVBHY-LSDHHAIUSA-N 1 0 380.543 1.671 20 0 GDADRO C[C@@H]1CN(CN2Cc3ccc(Br)cc3C2=O)C[C@H](C)[N@H+]1CCO ZINC000840133012 655277136 /nfs/dbraw/zinc/27/71/36/655277136.db2.gz AHCWOUJSMFDCRU-BETUJISGSA-N 1 0 382.302 1.749 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c(F)cc1C ZINC000815020494 655279130 /nfs/dbraw/zinc/27/91/30/655279130.db2.gz ATCAFQILPFRLEN-MRXNPFEDSA-N 1 0 390.502 1.636 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cn2c(Br)cnc2s1 ZINC000840454217 655288216 /nfs/dbraw/zinc/28/82/16/655288216.db2.gz WQZPQXCEADKBBS-JTQLQIEISA-N 1 0 387.303 1.735 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000767313902 655289176 /nfs/dbraw/zinc/28/91/76/655289176.db2.gz ATMPTGVCPPYZCQ-VHSXEESVSA-N 1 0 393.918 1.188 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@@H]1[NH+](C)C ZINC000767315281 655289329 /nfs/dbraw/zinc/28/93/29/655289329.db2.gz MJICUABVGHJMMJ-HOTGVXAUSA-N 1 0 386.539 1.427 20 0 GDADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000767315767 655289641 /nfs/dbraw/zinc/28/96/41/655289641.db2.gz RZJWUEWFBUCKOK-WDSKNZHCSA-N 1 0 384.523 1.539 20 0 GDADRO CSc1ccc([C@@H](CNC(=S)NCCNS(C)(=O)=O)[NH+](C)C)cc1 ZINC000840764862 655296537 /nfs/dbraw/zinc/29/65/37/655296537.db2.gz ATWWTKLIWDUTJI-CQSZACIVSA-N 1 0 390.600 1.025 20 0 GDADRO CC[C@@H]([NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C(C)(C)O ZINC000815652007 655301179 /nfs/dbraw/zinc/30/11/79/655301179.db2.gz LMUJOBDEFKMYOW-IUODEOHRSA-N 1 0 392.543 1.612 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cnn(C)c1I ZINC000815771700 655304421 /nfs/dbraw/zinc/30/44/21/655304421.db2.gz GIFCWXRNQWXKFB-SNVBAGLBSA-N 1 0 394.257 1.111 20 0 GDADRO CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000840955215 655306373 /nfs/dbraw/zinc/30/63/73/655306373.db2.gz SALVFDQCDQKRJD-UHFFFAOYSA-N 1 0 375.535 1.790 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cc2c(cc1Br)OCCO2 ZINC000841015628 655307850 /nfs/dbraw/zinc/30/78/50/655307850.db2.gz NUBXIYWPYQTLLB-JTQLQIEISA-N 1 0 386.246 1.720 20 0 GDADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000841131389 655309315 /nfs/dbraw/zinc/30/93/15/655309315.db2.gz DOHLHWXUBPHIEO-JTQLQIEISA-N 1 0 399.847 1.867 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000841133283 655309693 /nfs/dbraw/zinc/30/96/93/655309693.db2.gz LVKLQMKJDZYXRC-FZMZJTMJSA-N 1 0 389.905 1.883 20 0 GDADRO O=C(Nc1ccc(Br)nc1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000841150460 655310598 /nfs/dbraw/zinc/31/05/98/655310598.db2.gz PKJIIDJWKJRWEK-LBPRGKRZSA-N 1 0 396.289 1.520 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000841151822 655310746 /nfs/dbraw/zinc/31/07/46/655310746.db2.gz BQCAYYLVEDZBMX-UHFFFAOYSA-N 1 0 384.933 1.948 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cnc(Cl)c1Br ZINC000841152670 655310820 /nfs/dbraw/zinc/31/08/20/655310820.db2.gz UPHRHRWUFFDIDX-QMMMGPOBSA-N 1 0 375.654 1.613 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC[C@@H]1[NH3+] ZINC000841179640 655312387 /nfs/dbraw/zinc/31/23/87/655312387.db2.gz RAIWUZUKQAFULU-XCBNKYQSSA-N 1 0 375.654 1.632 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000841210634 655314338 /nfs/dbraw/zinc/31/43/38/655314338.db2.gz SIERMTNVFFYXRG-JGVFFNPUSA-N 1 0 375.654 1.645 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Br)n1 ZINC000841209908 655314356 /nfs/dbraw/zinc/31/43/56/655314356.db2.gz AQHUTNGAUFVIGB-TUAOUCFPSA-N 1 0 381.274 1.677 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000841215861 655314886 /nfs/dbraw/zinc/31/48/86/655314886.db2.gz CHNHEQBPUJQYGO-OIBJUYFYSA-N 1 0 375.654 1.550 20 0 GDADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000768179775 655315612 /nfs/dbraw/zinc/31/56/12/655315612.db2.gz XMUXTXVHKRXJMG-VIFPVBQESA-N 1 0 389.681 1.894 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cnc(Cl)c1Br ZINC000841230028 655315911 /nfs/dbraw/zinc/31/59/11/655315911.db2.gz UJPREOBZSMLCFU-IONNQARKSA-N 1 0 389.681 1.859 20 0 GDADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000841260800 655318088 /nfs/dbraw/zinc/31/80/88/655318088.db2.gz ZCLVGWNBBOMWSW-NWDGAFQWSA-N 1 0 381.274 1.631 20 0 GDADRO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841323832 655318954 /nfs/dbraw/zinc/31/89/54/655318954.db2.gz QKTDRRLXZVPZBK-RDBSUJKOSA-N 1 0 380.543 1.387 20 0 GDADRO C[C@@]12CCN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)C[C@@H]1C2(Cl)Cl ZINC000841323918 655319017 /nfs/dbraw/zinc/31/90/17/655319017.db2.gz SJGMXKMZPSUBIC-SWLSCSKDSA-N 1 0 385.299 1.934 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)CC)ccc1Cl ZINC000816487538 655327587 /nfs/dbraw/zinc/32/75/87/655327587.db2.gz QTBIMNOCQQKWNK-CYBMUJFWSA-N 1 0 390.933 1.956 20 0 GDADRO COCCN(CC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000816559375 655329181 /nfs/dbraw/zinc/32/91/81/655329181.db2.gz IAVWWSGDFSCIET-CABCVRRESA-N 1 0 378.535 1.815 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816563540 655329257 /nfs/dbraw/zinc/32/92/57/655329257.db2.gz BBSWRPCWJOOTAE-GZBFAFLISA-N 1 0 375.535 1.549 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816599876 655329780 /nfs/dbraw/zinc/32/97/80/655329780.db2.gz BUWJVLSXMRSPOW-GZBFAFLISA-N 1 0 375.535 1.549 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000841866630 655354327 /nfs/dbraw/zinc/35/43/27/655354327.db2.gz MZAALDBKMFKERL-JTQLQIEISA-N 1 0 383.392 1.395 20 0 GDADRO COCC[NH2+]CCNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841968688 655354920 /nfs/dbraw/zinc/35/49/20/655354920.db2.gz SOTHSBOROJUPQT-OAHLLOKOSA-N 1 0 386.290 1.768 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000842012304 655355126 /nfs/dbraw/zinc/35/51/26/655355126.db2.gz XTRUIIDWIUTHFO-CJNGLKHVSA-N 1 0 398.301 1.911 20 0 GDADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000842011139 655355184 /nfs/dbraw/zinc/35/51/84/655355184.db2.gz PSVZTMBELJCPGH-DOMZBBRYSA-N 1 0 386.290 1.502 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)CC[C@@H]1[NH3+] ZINC000842020538 655355367 /nfs/dbraw/zinc/35/53/67/655355367.db2.gz KGBVUMJTVIFRCT-KBPBESRZSA-N 1 0 384.933 1.670 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)NS(=O)(=O)c1cccnc1Cl ZINC000817675750 655356624 /nfs/dbraw/zinc/35/66/24/655356624.db2.gz ATGFGWZASZMNRB-STQMWFEESA-N 1 0 388.921 1.345 20 0 GDADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000842201561 655358135 /nfs/dbraw/zinc/35/81/35/655358135.db2.gz WHXPTYTUVACQNM-VXGBXAGGSA-N 1 0 383.436 1.101 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2F)CC[C@H]1[NH3+] ZINC000842216903 655359379 /nfs/dbraw/zinc/35/93/79/655359379.db2.gz QTOXRUVBIZUMJW-IINYFYTJSA-N 1 0 386.265 1.443 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2F)C[C@@H](C)[NH2+]1 ZINC000842217147 655359397 /nfs/dbraw/zinc/35/93/97/655359397.db2.gz SUWVMTWBPDSSQH-GHMZBOCLSA-N 1 0 386.265 1.456 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000817822989 655359819 /nfs/dbraw/zinc/35/98/19/655359819.db2.gz RWDYEIIFJPQMRZ-VWLOTQADSA-N 1 0 387.571 1.302 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000842250997 655360297 /nfs/dbraw/zinc/36/02/97/655360297.db2.gz MSCJUFZBQRIINY-HNNXBMFYSA-N 1 0 375.311 1.833 20 0 GDADRO Cc1csc([C@@](O)(CC(=O)NC[C@@](C)(O)CC[NH+](C)C)C(F)(F)F)n1 ZINC000842253032 655360298 /nfs/dbraw/zinc/36/02/98/655360298.db2.gz OGJFUXAGCYEFHG-KBPBESRZSA-N 1 0 383.436 1.410 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1ccc(Br)cc1F)C1CCCC1 ZINC000842260481 655360589 /nfs/dbraw/zinc/36/05/89/655360589.db2.gz IIGQQBLXYTUMBI-AWEZNQCLSA-N 1 0 386.265 1.838 20 0 GDADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C[C@@H]1C[NH3+] ZINC000817863657 655361161 /nfs/dbraw/zinc/36/11/61/655361161.db2.gz JGSSZPRMLKFXCW-UTUOFQBUSA-N 1 0 396.481 1.677 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000817863696 655361176 /nfs/dbraw/zinc/36/11/76/655361176.db2.gz LXXRJDHDQRTBJF-XQQFMLRXSA-N 1 0 389.543 1.641 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000817944861 655362787 /nfs/dbraw/zinc/36/27/87/655362787.db2.gz NWCISDNDYJOQAE-OAHLLOKOSA-N 1 0 398.301 1.417 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000818000591 655364033 /nfs/dbraw/zinc/36/40/33/655364033.db2.gz CCHDRONJBIGNAK-LRDDRELGSA-N 1 0 385.917 1.852 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)ccc1Cl ZINC000818015904 655364764 /nfs/dbraw/zinc/36/47/64/655364764.db2.gz LVUCLZKRGARCST-MRXNPFEDSA-N 1 0 387.889 1.490 20 0 GDADRO C[C@H]1CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C[C@H]1C[NH3+] ZINC000842478698 655366662 /nfs/dbraw/zinc/36/66/62/655366662.db2.gz NGNAWESYWBMGTH-NWDGAFQWSA-N 1 0 375.441 1.538 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)s1 ZINC000842481480 655367195 /nfs/dbraw/zinc/36/71/95/655367195.db2.gz LTWIEOIIFFDJLC-QMMMGPOBSA-N 1 0 397.316 1.718 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842482026 655367271 /nfs/dbraw/zinc/36/72/71/655367271.db2.gz SSWJMBSUCYDIQV-LLVKDONJSA-N 1 0 388.433 1.632 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)ccc1Br ZINC000842484035 655367659 /nfs/dbraw/zinc/36/76/59/655367659.db2.gz WFGHJGUVKNNOKG-GFCCVEGCSA-N 1 0 393.303 1.887 20 0 GDADRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000818130573 655367979 /nfs/dbraw/zinc/36/79/79/655367979.db2.gz PLVJWIZRECTQKV-UKRRQHHQSA-N 1 0 384.267 1.973 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000842485736 655368160 /nfs/dbraw/zinc/36/81/60/655368160.db2.gz 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COC(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])s1 ZINC000842690193 655371416 /nfs/dbraw/zinc/37/14/16/655371416.db2.gz OUQRIMZFCOPQQN-DGCLKSJQSA-N 1 0 375.516 1.537 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842694398 655371542 /nfs/dbraw/zinc/37/15/42/655371542.db2.gz OUZYCPWCGHTFRB-VIFPVBQESA-N 1 0 382.711 1.869 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000842696190 655371675 /nfs/dbraw/zinc/37/16/75/655371675.db2.gz OZOHXIGJSHFIBW-VIFPVBQESA-N 1 0 381.267 1.956 20 0 GDADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)s1 ZINC000842701734 655372052 /nfs/dbraw/zinc/37/20/52/655372052.db2.gz VYBSWUFHZIBEIF-LBPRGKRZSA-N 1 0 381.523 1.925 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NCC[NH2+]C2CC2)s1 ZINC000842706910 655372502 /nfs/dbraw/zinc/37/25/02/655372502.db2.gz MPZYFBYVRVRUEV-UHFFFAOYSA-N 1 0 383.289 1.328 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842712616 655372727 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GDADRO C[C@@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000818533894 655376186 /nfs/dbraw/zinc/37/61/86/655376186.db2.gz VLHSYAMYDFNNNA-OLZOCXBDSA-N 1 0 385.917 1.998 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000818593563 655376913 /nfs/dbraw/zinc/37/69/13/655376913.db2.gz BWWKOKCWCJMFCI-CQSZACIVSA-N 1 0 375.288 1.664 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)ccc1Cl ZINC000818594848 655376948 /nfs/dbraw/zinc/37/69/48/655376948.db2.gz ZJKWOMXZXVHAAT-OAHLLOKOSA-N 1 0 375.878 1.333 20 0 GDADRO C[C@]1(CNS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CCC[NH2+]C1 ZINC000842827368 655380022 /nfs/dbraw/zinc/38/00/22/655380022.db2.gz FHIFWURYLWJJCR-AWEZNQCLSA-N 1 0 379.404 1.855 20 0 GDADRO O=S(=O)(N[C@H]1CCC[NH2+]CC1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842829557 655380024 /nfs/dbraw/zinc/38/00/24/655380024.db2.gz FXSLSDGPHFIHGN-JTQLQIEISA-N 1 0 386.417 1.401 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(Br)o1 ZINC000842834217 655380342 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O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)NC[C@@H]1CCCCO1 ZINC000819055343 655384300 /nfs/dbraw/zinc/38/43/00/655384300.db2.gz UHCRSDWMRKUQEN-XJKSGUPXSA-N 1 0 394.896 1.591 20 0 GDADRO C[C@](O)(C[NH2+]CCN1C(=O)CNC1=O)c1ccc(Br)cc1Cl ZINC000819065825 655384539 /nfs/dbraw/zinc/38/45/39/655384539.db2.gz ODEAOGLGAWTXPO-AWEZNQCLSA-N 1 0 390.665 1.451 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000819078212 655384725 /nfs/dbraw/zinc/38/47/25/655384725.db2.gz UQMGJGMKOWBQQB-QZTJIDSGSA-N 1 0 398.345 1.479 20 0 GDADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@H](O)c3ccc(F)c(Br)c3)C2=O)cn1 ZINC000819080554 655384912 /nfs/dbraw/zinc/38/49/12/655384912.db2.gz GXEVZHREYFMXJN-CABCVRRESA-N 1 0 397.248 1.750 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C[C@@H](O)c2ccccc2Br)C1=O ZINC000819129312 655386765 /nfs/dbraw/zinc/38/67/65/655386765.db2.gz GERAYPPHGYNALT-KHIZAZIESA-N 1 0 396.285 1.793 20 0 GDADRO COCc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)CC2 ZINC000819152755 655387044 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1.293 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843454284 655395282 /nfs/dbraw/zinc/39/52/82/655395282.db2.gz QLRRQCNPHJHOCY-OLZOCXBDSA-N 1 0 388.921 1.392 20 0 GDADRO CC(C)[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC[NH2+]1 ZINC000843467573 655395676 /nfs/dbraw/zinc/39/56/76/655395676.db2.gz HUHDVYGXFSDIGO-MRVPVSSYSA-N 1 0 396.332 1.228 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC[NH2+]1 ZINC000843472077 655395914 /nfs/dbraw/zinc/39/59/14/655395914.db2.gz TZWSQERYCIEGSO-JQWIXIFHSA-N 1 0 380.495 1.168 20 0 GDADRO Cc1nc(NC(=O)CO[C@@H]2CCC[NH2+]C2)ccc1I ZINC000843478733 655396257 /nfs/dbraw/zinc/39/62/57/655396257.db2.gz JPMYWLSWUXFKBW-SNVBAGLBSA-N 1 0 375.210 1.702 20 0 GDADRO C[C@H](CC(=O)NCCC[C@H]1CCC[NH2+]1)NS(=O)(=O)c1cccnc1Cl ZINC000843485929 655396705 /nfs/dbraw/zinc/39/67/05/655396705.db2.gz WEESXRSGKDGFDK-CHWSQXEVSA-N 1 0 388.921 1.440 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C1 ZINC000843487124 655396732 /nfs/dbraw/zinc/39/67/32/655396732.db2.gz ZRHRYUJQXXXYIS-JQWIXIFHSA-N 1 0 380.495 1.155 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000843499025 655397015 /nfs/dbraw/zinc/39/70/15/655397015.db2.gz CHNZSTLBTLOZEY-CYBMUJFWSA-N 1 0 395.257 1.884 20 0 GDADRO [NH3+]CCCCCCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000843510431 655397357 /nfs/dbraw/zinc/39/73/57/655397357.db2.gz OUWFDDYKBQXSID-UHFFFAOYSA-N 1 0 375.516 1.018 20 0 GDADRO COCC(C)(C)[NH+]1CCN(Cn2nc(N3CCOCC3)sc2=S)CC1 ZINC000819893860 655398250 /nfs/dbraw/zinc/39/82/50/655398250.db2.gz NIWVYXXTYMVQQM-UHFFFAOYSA-N 1 0 387.575 1.511 20 0 GDADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000844305378 655409342 /nfs/dbraw/zinc/40/93/42/655409342.db2.gz ZJGRJFYYTLBKBI-DYVFJYSZSA-N 1 0 376.519 1.585 20 0 GDADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000820503714 655410958 /nfs/dbraw/zinc/41/09/58/655410958.db2.gz MNKDASHKDARYPF-NOZJJQNGSA-N 1 0 390.303 1.261 20 0 GDADRO COC(=O)[C@@H]1[C@@H](C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)C1(F)F ZINC000820874233 655418507 /nfs/dbraw/zinc/41/85/07/655418507.db2.gz FWTUUSNCIBLPDD-PWSUYJOCSA-N 1 0 382.454 1.287 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1nc(Br)c2ccccn21 ZINC000820989767 655420186 /nfs/dbraw/zinc/42/01/86/655420186.db2.gz ALANYNHRCOSEAY-GFCCVEGCSA-N 1 0 381.274 1.673 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Br)c2nccnc2c1 ZINC000821052904 655421420 /nfs/dbraw/zinc/42/14/20/655421420.db2.gz QSYQQLVCUPJDQS-ZDUSSCGKSA-N 1 0 393.285 1.969 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000821480548 655430527 /nfs/dbraw/zinc/43/05/27/655430527.db2.gz FRRDIWSGWDQGGI-UHFFFAOYSA-N 1 0 389.905 1.789 20 0 GDADRO CC(C)(C)OC(=O)NCCC1CC([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000845924928 655439007 /nfs/dbraw/zinc/43/90/07/655439007.db2.gz BIXGMZRPVRZMSP-SHARSMKWSA-N 1 0 375.535 1.693 20 0 GDADRO CN1C(=O)CS/C1=C\C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000822423567 655444921 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GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846320285 655452166 /nfs/dbraw/zinc/45/21/66/655452166.db2.gz SVJCLJCFSQUKGE-ZBEGNZNMSA-N 1 0 381.274 1.678 20 0 GDADRO [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)NCCC[C@H]3CC3(Cl)Cl)cc2C1 ZINC000846322983 655452281 /nfs/dbraw/zinc/45/22/81/655452281.db2.gz BKMSDWDHVNYATM-NWDGAFQWSA-N 1 0 385.295 1.926 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000822998663 655454986 /nfs/dbraw/zinc/45/49/86/655454986.db2.gz RYOJFPMIDHLVCE-LBPRGKRZSA-N 1 0 385.306 1.939 20 0 GDADRO CC[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000823195330 655458125 /nfs/dbraw/zinc/45/81/25/655458125.db2.gz UXKBBCKFSWUQQO-ZDUSSCGKSA-N 1 0 375.441 1.647 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)s1 ZINC000846699740 655459087 /nfs/dbraw/zinc/45/90/87/655459087.db2.gz WGLFTICZMOIBFH-YUMQZZPRSA-N 1 0 397.316 1.798 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cnc(CCC(F)(F)F)s1 ZINC000823567809 655464909 /nfs/dbraw/zinc/46/49/09/655464909.db2.gz ROFSJIXGHAASQK-JTQLQIEISA-N 1 0 378.420 1.830 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cnn2cccc(Br)c12 ZINC000823560897 655464966 /nfs/dbraw/zinc/46/49/66/655464966.db2.gz DQJXPMMWRWOLIA-LLVKDONJSA-N 1 0 394.273 1.289 20 0 GDADRO Brc1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(-c2nn[nH]n2)c1 ZINC000823827150 655468835 /nfs/dbraw/zinc/46/88/35/655468835.db2.gz VHHIBOGNYSOHPR-GFCCVEGCSA-N 1 0 393.289 1.788 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1(C)C ZINC000824086806 655471471 /nfs/dbraw/zinc/47/14/71/655471471.db2.gz PFOPTKXFOUMTDT-NEPJUHHUSA-N 1 0 377.869 1.585 20 0 GDADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000824298367 655473695 /nfs/dbraw/zinc/47/36/95/655473695.db2.gz VBQXEUFEMOFOFM-LOWVWBTDSA-N 1 0 394.269 1.152 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OC1CC[NH+](CCOC)CC1 ZINC000847883382 655478462 /nfs/dbraw/zinc/47/84/62/655478462.db2.gz GHJOUIZPHIUHLB-INIZCTEOSA-N 1 0 376.519 1.235 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000848024921 655480505 /nfs/dbraw/zinc/48/05/05/655480505.db2.gz LPXHSZILPPLVLG-GDBMZVCRSA-N 1 0 385.302 1.962 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000825189307 655485411 /nfs/dbraw/zinc/48/54/11/655485411.db2.gz ZZBWHYMHCDHEOH-TZMCWYRMSA-N 1 0 385.917 1.982 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(F)(F)F ZINC000825207431 655485803 /nfs/dbraw/zinc/48/58/03/655485803.db2.gz JVSMWVXJEUOYFK-SECBINFHSA-N 1 0 378.294 1.990 20 0 GDADRO Cn1nc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1Br ZINC000825761284 655493441 /nfs/dbraw/zinc/49/34/41/655493441.db2.gz RSZOGQWRDLABLE-ZDUSSCGKSA-N 1 0 384.322 1.425 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=S)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848655381 655498338 /nfs/dbraw/zinc/49/83/38/655498338.db2.gz ARJSYQMMHJLXIN-HOTGVXAUSA-N 1 0 382.555 1.315 20 0 GDADRO O=C(c1ccc2c(Br)cnn2c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000826563824 655498768 /nfs/dbraw/zinc/49/87/68/655498768.db2.gz IVNQCCLKAPTXMU-AWEZNQCLSA-N 1 0 393.285 1.768 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848793488 655500517 /nfs/dbraw/zinc/50/05/17/655500517.db2.gz KMQPNBADGFUEFN-GFCCVEGCSA-N 1 0 395.305 1.817 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCOC2(CC[NH+](C)CC2)C1 ZINC000826772965 655500878 /nfs/dbraw/zinc/50/08/78/655500878.db2.gz HHOWDMNJIFUOEL-UHFFFAOYSA-N 1 0 381.278 1.427 20 0 GDADRO Cn1nc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1Br ZINC000826902563 655502892 /nfs/dbraw/zinc/50/28/92/655502892.db2.gz KOVURXWLOIGSQD-CYBMUJFWSA-N 1 0 385.306 1.900 20 0 GDADRO Cn1nc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1Br ZINC000827064980 655504883 /nfs/dbraw/zinc/50/48/83/655504883.db2.gz YWIPEKFUAPXJAI-KBPBESRZSA-N 1 0 385.306 1.680 20 0 GDADRO COc1ncc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000827160269 655506824 /nfs/dbraw/zinc/50/68/24/655506824.db2.gz NGXCNNHUAFOTCK-CYBMUJFWSA-N 1 0 389.905 1.665 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CC[C@H]21 ZINC000827331080 655509085 /nfs/dbraw/zinc/50/90/85/655509085.db2.gz VTNHVAPWHRVWQE-RBSFLKMASA-N 1 0 383.539 1.454 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000827367275 655509781 /nfs/dbraw/zinc/50/97/81/655509781.db2.gz TXGQYFQQZWNRKG-WBMJQRKESA-N 1 0 385.917 1.757 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827435462 655511139 /nfs/dbraw/zinc/51/11/39/655511139.db2.gz KDXZFILOPPGABM-UHFFFAOYSA-N 1 0 397.317 1.710 20 0 GDADRO CC(C)C[C@H](NC(=O)c1cc(Br)n(C)n1)C(=O)NCC[NH+](C)C ZINC000827447097 655511425 /nfs/dbraw/zinc/51/14/25/655511425.db2.gz NMFFMMRKZSVCHM-NSHDSACASA-N 1 0 388.310 1.005 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc2ccc(Br)cc2c(=O)o1 ZINC000827528065 655512624 /nfs/dbraw/zinc/51/26/24/655512624.db2.gz GSLVXBLNRYTSKE-GFCCVEGCSA-N 1 0 381.226 1.352 20 0 GDADRO CC(C)CNC(=[NH2+])NC[C@H](O)COc1ccc(I)cc1 ZINC000849072654 655517171 /nfs/dbraw/zinc/51/71/71/655517171.db2.gz TXFKXYDTRYMLGQ-LBPRGKRZSA-N 1 0 391.253 1.801 20 0 GDADRO CC(C)NS(=O)(=O)NCCNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000849103793 655517279 /nfs/dbraw/zinc/51/72/79/655517279.db2.gz BGAGMMXDYWZSLU-UHFFFAOYSA-N 1 0 383.396 1.354 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000849114882 655517465 /nfs/dbraw/zinc/51/74/65/655517465.db2.gz XTNWBPCUPZWTMF-CQSZACIVSA-N 1 0 387.937 1.314 20 0 GDADRO C[C@@H]1CN(C(=[NH2+])NC[C@@H](CO)Cc2cc(Br)ccc2F)CCO1 ZINC000849115444 655517480 /nfs/dbraw/zinc/51/74/80/655517480.db2.gz UOLRJXCKGFSSGJ-NEPJUHHUSA-N 1 0 388.281 1.984 20 0 GDADRO C[NH+]1CCC(OCC(=O)N2CC(O)(c3cccc(Br)c3)C2)CC1 ZINC000827983669 655518084 /nfs/dbraw/zinc/51/80/84/655518084.db2.gz QNLZTPZBXDNHNP-UHFFFAOYSA-N 1 0 383.286 1.590 20 0 GDADRO O=C(N[C@H]1COc2cccc(Br)c2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000828027387 655518483 /nfs/dbraw/zinc/51/84/83/655518483.db2.gz QROMHAPDOAWJFH-IUODEOHRSA-N 1 0 380.286 1.259 20 0 GDADRO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)n1C ZINC000849420096 655531449 /nfs/dbraw/zinc/53/14/49/655531449.db2.gz QSGLCANNLIUYOA-SNVBAGLBSA-N 1 0 379.324 1.642 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)s1 ZINC000849420750 655531714 /nfs/dbraw/zinc/53/17/14/655531714.db2.gz XVAFSSSGDRYSKZ-LBPRGKRZSA-N 1 0 389.543 1.798 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1c(Cl)ccnc1Cl ZINC000849423167 655532542 /nfs/dbraw/zinc/53/25/42/655532542.db2.gz IOHMRUCUVUELMM-NSHDSACASA-N 1 0 383.345 1.939 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCn2cc(Br)cn2)cn1 ZINC000849590564 655542602 /nfs/dbraw/zinc/54/26/02/655542602.db2.gz BZJNSBJLVPCHCU-LSDHHAIUSA-N 1 0 395.305 1.231 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)n1 ZINC000850376307 655553650 /nfs/dbraw/zinc/55/36/50/655553650.db2.gz GHVAYTUFUVJEJL-SECBINFHSA-N 1 0 382.877 1.203 20 0 GDADRO CSc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850376853 655553701 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GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)nc2C)CC1 ZINC000850593116 655559759 /nfs/dbraw/zinc/55/97/59/655559759.db2.gz GTWUPKYXJBQPOI-UHFFFAOYSA-N 1 0 388.921 1.312 20 0 GDADRO [NH3+]Cc1ccc(CNC(=O)N2CCn3ncc(Br)c3C2)c(F)c1 ZINC000851668255 655590188 /nfs/dbraw/zinc/59/01/88/655590188.db2.gz DVOBQQIWOKZRLU-UHFFFAOYSA-N 1 0 382.237 1.969 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000851690941 655590597 /nfs/dbraw/zinc/59/05/97/655590597.db2.gz OHBJBJFNBKMJHX-RISCZKNCSA-N 1 0 384.274 1.073 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000851749269 655593076 /nfs/dbraw/zinc/59/30/76/655593076.db2.gz WXJPEUZSMLOJLF-GJZGRUSLSA-N 1 0 378.406 1.284 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000851749271 655593145 /nfs/dbraw/zinc/59/31/45/655593145.db2.gz WXJPEUZSMLOJLF-LSDHHAIUSA-N 1 0 378.406 1.284 20 0 GDADRO COCC[N@H+](CCn1cnc(Br)n1)Cc1ccc2c(c1)OCO2 ZINC000851770111 655594415 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GDADRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@H+](CCS(N)(=O)=O)C2)CC1 ZINC000852303446 655611969 /nfs/dbraw/zinc/61/19/69/655611969.db2.gz PNUMOECLNFYRCG-OAHLLOKOSA-N 1 0 375.535 1.634 20 0 GDADRO O=C(NCCn1cc(Br)cn1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852333556 655612433 /nfs/dbraw/zinc/61/24/33/655612433.db2.gz OYZOBQUFFLPWML-CQSZACIVSA-N 1 0 386.294 1.198 20 0 GDADRO C[C@H](C[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)CS(C)(=O)=O ZINC000852455217 655614587 /nfs/dbraw/zinc/61/45/87/655614587.db2.gz SOCJHRATMMKGPU-YPMHNXCESA-N 1 0 378.416 1.777 20 0 GDADRO COC(=O)C1(C[NH+]2CCC(n3nncc3I)CC2)CC1 ZINC000852533303 655617863 /nfs/dbraw/zinc/61/78/63/655617863.db2.gz XKXYZMPIDRFXHD-UHFFFAOYSA-N 1 0 390.225 1.473 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)=NO1 ZINC000852809212 655623212 /nfs/dbraw/zinc/62/32/12/655623212.db2.gz VXSRKUIFSLCMHL-CYBMUJFWSA-N 1 0 385.251 1.381 20 0 GDADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852835885 655623900 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NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc3c(c2)S(=O)(=O)N=C3Cl)C1 ZINC000853252943 655637437 /nfs/dbraw/zinc/63/74/37/655637437.db2.gz WDRBSAVFVKMOCJ-LLVKDONJSA-N 1 0 384.889 1.374 20 0 GDADRO C[C@@]1(NC(=O)C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CC[NH2+]C1 ZINC000853338504 655638487 /nfs/dbraw/zinc/63/84/87/655638487.db2.gz BZSCOPAJUWLWEC-QGZVFWFLSA-N 1 0 382.917 1.700 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cnc(Cl)c1Br ZINC000853337545 655638537 /nfs/dbraw/zinc/63/85/37/655638537.db2.gz LYFJTYPGLIVYOF-CYBMUJFWSA-N 1 0 375.654 1.613 20 0 GDADRO CN1C(=S)N=NC1CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000853421922 655639439 /nfs/dbraw/zinc/63/94/39/655639439.db2.gz GUMKEJPKXBIRCR-UHFFFAOYSA-N 1 0 384.575 1.307 20 0 GDADRO CCC(=O)c1ccc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(S(=O)(=O)NC)c1 ZINC000853460786 655640021 /nfs/dbraw/zinc/64/00/21/655640021.db2.gz KCSOCTBKHNIVOU-GDBMZVCRSA-N 1 0 385.555 1.669 20 0 GDADRO C[NH+]1CCN(c2cc(C(=O)NCc3cnc(Br)cn3)ccn2)CC1 ZINC000854350487 655663072 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CS(=O)(=O)c1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)c(Cl)cn1 ZINC000856414330 655712905 /nfs/dbraw/zinc/71/29/05/655712905.db2.gz HPJBXWLKXKHESD-UHFFFAOYSA-N 1 0 385.917 1.990 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CCO1 ZINC000856428185 655713214 /nfs/dbraw/zinc/71/32/14/655713214.db2.gz QJDSTZKHYCUZPR-CYBMUJFWSA-N 1 0 389.905 1.170 20 0 GDADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(S(=O)(=O)c3cscn3)C2)ccn1 ZINC000856544333 655714438 /nfs/dbraw/zinc/71/44/38/655714438.db2.gz KJXFDYPBTFDXDE-HNNXBMFYSA-N 1 0 382.511 1.832 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)sc1Br ZINC000857008444 655725351 /nfs/dbraw/zinc/72/53/51/655725351.db2.gz JMYZUJRQEVHXPH-JMCQJSRRSA-N 1 0 394.316 1.111 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(cc1Br)OCO2 ZINC000857088462 655727429 /nfs/dbraw/zinc/72/74/29/655727429.db2.gz FGPUPMXDFAEHQW-QWRGUYRKSA-N 1 0 383.242 1.771 20 0 GDADRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000857256362 655732307 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O=C(CC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1)N1CCOCC1 ZINC000860049506 655794137 /nfs/dbraw/zinc/79/41/37/655794137.db2.gz XQCGICSNDIAVFF-NVXWUHKLSA-N 1 0 383.286 1.806 20 0 GDADRO CS(=O)(=O)CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000860049983 655794268 /nfs/dbraw/zinc/79/42/68/655794268.db2.gz LGWACAMCLYMPPC-FQUUOJAGSA-N 1 0 382.448 1.542 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OC[C@@H]1CCC[N@@H+]1CCOC ZINC000861034028 655812686 /nfs/dbraw/zinc/81/26/86/655812686.db2.gz CZBWPZWCUINENW-JKSUJKDBSA-N 1 0 376.519 1.235 20 0 GDADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(I)cn2)C1 ZINC000861352733 655820183 /nfs/dbraw/zinc/82/01/83/655820183.db2.gz JZOUFDMTZPVEBR-SMDDNHRTSA-N 1 0 390.221 1.952 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000861746352 655829774 /nfs/dbraw/zinc/82/97/74/655829774.db2.gz JUCYPKSUUAYIDN-MRVPVSSYSA-N 1 0 396.207 1.890 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000861745280 655829786 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GDADRO Cn1ncc(I)c1C[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000864052219 655887974 /nfs/dbraw/zinc/88/79/74/655887974.db2.gz DZMXPBDGOIPENP-AWEZNQCLSA-N 1 0 393.269 1.682 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2nc(Br)sc2Cl)CC1 ZINC000864837650 655906736 /nfs/dbraw/zinc/90/67/36/655906736.db2.gz KIFIUGAHUDCMBO-UHFFFAOYSA-N 1 0 395.710 1.405 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(Br)cn2ccnc12 ZINC000864886860 655907828 /nfs/dbraw/zinc/90/78/28/655907828.db2.gz BMLWKXSDSUCHLJ-UHFFFAOYSA-N 1 0 381.274 1.939 20 0 GDADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cn1ccc(Br)cc1=O ZINC000864957042 655909025 /nfs/dbraw/zinc/90/90/25/655909025.db2.gz RBNJBAYCMOTBCM-INIZCTEOSA-N 1 0 392.297 1.900 20 0 GDADRO Cc1ccnc(CN[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1Br ZINC000865465461 655920315 /nfs/dbraw/zinc/92/03/15/655920315.db2.gz ALJHQFKULAJFRW-HNNXBMFYSA-N 1 0 383.334 1.649 20 0 GDADRO Cc1ccnc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1Br ZINC000865481895 655920433 /nfs/dbraw/zinc/92/04/33/655920433.db2.gz 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ZINC000866552239 655949083 /nfs/dbraw/zinc/94/90/83/655949083.db2.gz HGIKIBZXVYYWSM-ZUZCIYMTSA-N 1 0 388.237 1.262 20 0 GDADRO O=C1COC[C@@]2(C[NH2+][C@@H]3CCc4sc(Br)cc43)COCCN12 ZINC000866553493 655949088 /nfs/dbraw/zinc/94/90/88/655949088.db2.gz MSZSWNBREUJXTQ-IAQYHMDHSA-N 1 0 387.299 1.715 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c(Br)c1 ZINC000866553817 655949199 /nfs/dbraw/zinc/94/91/99/655949199.db2.gz OCZRHIANZVZRRF-SJKOYZFVSA-N 1 0 399.285 1.736 20 0 GDADRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(F)cc1Br ZINC000866556413 655949427 /nfs/dbraw/zinc/94/94/27/655949427.db2.gz SZVFGRIRZOKHQR-BDJLRTHQSA-N 1 0 387.249 1.867 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000866577207 655950159 /nfs/dbraw/zinc/95/01/59/655950159.db2.gz FYDQIJFOPNWDNS-UHFFFAOYSA-N 1 0 376.500 1.903 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000866675008 655953252 /nfs/dbraw/zinc/95/32/52/655953252.db2.gz GKCHIAPMCVKSNS-ZJUUUORDSA-N 1 0 396.332 1.188 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(Br)n1 ZINC000866721890 655956768 /nfs/dbraw/zinc/95/67/68/655956768.db2.gz QLQFAAKFYVQVQK-GFCCVEGCSA-N 1 0 391.335 1.822 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000866740805 655957944 /nfs/dbraw/zinc/95/79/44/655957944.db2.gz VBDFOJOOGVYGPV-LLVKDONJSA-N 1 0 377.304 1.877 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000866760956 655959740 /nfs/dbraw/zinc/95/97/40/655959740.db2.gz HRZDJHYZAOSCBV-PHIMTYICSA-N 1 0 375.288 1.439 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1Br ZINC000866765431 655960425 /nfs/dbraw/zinc/96/04/25/655960425.db2.gz XUTWYQYEDPLFAU-NSHDSACASA-N 1 0 377.308 1.193 20 0 GDADRO Cn1cc(S(=O)(=O)N[C@H](CCC[NH3+])c2ccccc2)c(Br)n1 ZINC000866769772 655961051 /nfs/dbraw/zinc/96/10/51/655961051.db2.gz PAZQFCSLVKLOLD-GFCCVEGCSA-N 1 0 387.303 1.941 20 0 GDADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC ZINC000866776917 655962101 /nfs/dbraw/zinc/96/21/01/655962101.db2.gz DUZDDONFGMJQFD-UHFFFAOYSA-N 1 0 376.450 1.631 20 0 GDADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000866777304 655962248 /nfs/dbraw/zinc/96/22/48/655962248.db2.gz SBPXCWOEPVGMQB-HOTGVXAUSA-N 1 0 387.527 1.237 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C[C@@H]2C)s1 ZINC000866793462 655964305 /nfs/dbraw/zinc/96/43/05/655964305.db2.gz QYKCVXFEKJKWBI-BQBZGAKWSA-N 1 0 383.289 1.407 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)C[C@@]3(C)CC3(Cl)Cl)CC2)C1 ZINC000866792793 655964325 /nfs/dbraw/zinc/96/43/25/655964325.db2.gz APLXGCGWUFBCSM-UONOGXRCSA-N 1 0 384.373 1.612 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1I ZINC000866806931 655965887 /nfs/dbraw/zinc/96/58/87/655965887.db2.gz OCJPIVPJRKTOTQ-MGCOHNPYSA-N 1 0 380.251 1.615 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c(Cl)s1 ZINC000866819411 655966917 /nfs/dbraw/zinc/96/69/17/655966917.db2.gz GDMKUGPJTDTKCA-NXEZZACHSA-N 1 0 398.959 1.568 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1Cl ZINC000866827728 655967510 /nfs/dbraw/zinc/96/75/10/655967510.db2.gz RQILHXGLXBJBLG-JSGCOSHPSA-N 1 0 375.853 1.953 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 ZINC000866847108 655969884 /nfs/dbraw/zinc/96/98/84/655969884.db2.gz HHJXMTOKWXUJBK-XMMPIXPASA-N 1 0 389.543 1.167 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cn(C)nc2Br)C[C@@H]1C ZINC000866855310 655970693 /nfs/dbraw/zinc/97/06/93/655970693.db2.gz MRWPQGIEPITTPY-QWRGUYRKSA-N 1 0 379.324 1.676 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000866880936 655972978 /nfs/dbraw/zinc/97/29/78/655972978.db2.gz VRGDIRNIYBXPAS-NSHDSACASA-N 1 0 377.308 1.669 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(OC(F)(F)F)cc2)CC1 ZINC000866894917 655974831 /nfs/dbraw/zinc/97/48/31/655974831.db2.gz LWTSEKVYRNULRT-UHFFFAOYSA-N 1 0 382.404 1.931 20 0 GDADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)nc1F ZINC000866982890 655983870 /nfs/dbraw/zinc/98/38/70/655983870.db2.gz YWPZPOGSUBTFBI-OLZOCXBDSA-N 1 0 375.441 1.406 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cn(C)nc2Br)C1 ZINC000866993178 655985060 /nfs/dbraw/zinc/98/50/60/655985060.db2.gz UGIBWTVFBVQQRC-LBPRGKRZSA-N 1 0 393.351 1.829 20 0 GDADRO CN(C1CC[NH+](C)CC1)[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)N=S(C)(C)=O ZINC000867010196 655986746 /nfs/dbraw/zinc/98/67/46/655986746.db2.gz MKSGCZQHFVJHEK-CVEARBPZSA-N 1 0 394.607 1.228 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1[NH+](C)C ZINC000867025765 655988672 /nfs/dbraw/zinc/98/86/72/655988672.db2.gz QMLVAHUVHGNIGL-UONOGXRCSA-N 1 0 393.575 1.161 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(I)nn1C ZINC000867094013 655994594 /nfs/dbraw/zinc/99/45/94/655994594.db2.gz ZJKHECVPLSZNOC-JTQLQIEISA-N 1 0 390.269 1.827 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000867193078 656009932 /nfs/dbraw/zinc/00/99/32/656009932.db2.gz GSBWWXKKGLJDET-UHFFFAOYSA-N 1 0 388.253 1.725 20 0 GDADRO C[S@@](=O)(=NS(=O)(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000867198468 656011361 /nfs/dbraw/zinc/01/13/61/656011361.db2.gz XIDLNBUOFXWOKF-DEOSSOPVSA-N 1 0 389.518 1.991 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cn(C)nc1Br ZINC000867261911 656025052 /nfs/dbraw/zinc/02/50/52/656025052.db2.gz ONZBZJJQCYWICT-QWRGUYRKSA-N 1 0 377.308 1.430 20 0 GDADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cn(C)nc1Br ZINC000867261910 656025163 /nfs/dbraw/zinc/02/51/63/656025163.db2.gz ONZBZJJQCYWICT-MNOVXSKESA-N 1 0 377.308 1.430 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cn2)C1 ZINC000867325103 656038381 /nfs/dbraw/zinc/03/83/81/656038381.db2.gz BJIQESCELFKKTA-AWEZNQCLSA-N 1 0 383.290 1.403 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867406795 656055266 /nfs/dbraw/zinc/05/52/66/656055266.db2.gz NRAGMFHGAXVZQR-LBPRGKRZSA-N 1 0 397.317 1.649 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)N=[S@](C)(=O)c1ccccc1)CCO2 ZINC000867453027 656063854 /nfs/dbraw/zinc/06/38/54/656063854.db2.gz KHGCSLHMIVKWNL-XMMPIXPASA-N 1 0 387.527 1.185 20 0 GDADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)nc1F ZINC000867496170 656070557 /nfs/dbraw/zinc/07/05/57/656070557.db2.gz BIZJUYKEENYPTR-UHFFFAOYSA-N 1 0 375.441 1.529 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCSCCC(F)(F)F)CC[C@@H]21 ZINC000867578271 656087536 /nfs/dbraw/zinc/08/75/36/656087536.db2.gz JKARWMNFNXNIEP-STQMWFEESA-N 1 0 381.464 1.731 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000867581767 656088110 /nfs/dbraw/zinc/08/81/10/656088110.db2.gz LTTXWKQFLHGPGD-UHFFFAOYSA-N 1 0 378.926 1.361 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)cn2ccnc12 ZINC000867975306 656136643 /nfs/dbraw/zinc/13/66/43/656136643.db2.gz KLJWETWZHPAIRE-CYBMUJFWSA-N 1 0 383.290 1.919 20 0 GDADRO C[C@@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CC[NH2+]CC1 ZINC000868002450 656137340 /nfs/dbraw/zinc/13/73/40/656137340.db2.gz RNOOCWWANUAKNY-SNVBAGLBSA-N 1 0 394.269 1.549 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C2CC[NH2+]CC2)s1 ZINC000868011117 656137498 /nfs/dbraw/zinc/13/74/98/656137498.db2.gz YMCHDAKTUHLWTA-ZFWWWQNUSA-N 1 0 385.555 1.714 20 0 GDADRO [NH3+]CCN(CCO)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868203643 656143730 /nfs/dbraw/zinc/14/37/30/656143730.db2.gz JGKPPVNAXPALKW-UHFFFAOYSA-N 1 0 381.068 1.997 20 0 GDADRO Cc1c(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cnc(Cl)c1Br ZINC000868286424 656148731 /nfs/dbraw/zinc/14/87/31/656148731.db2.gz PSMVPNDDYZMOIZ-POYBYMJQSA-N 1 0 375.654 1.693 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(Br)cn3)C2)CC1 ZINC000868290892 656149303 /nfs/dbraw/zinc/14/93/03/656149303.db2.gz VLNRFERKXDQXFU-HNNXBMFYSA-N 1 0 396.333 1.812 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(I)cc2F)C1 ZINC000868305729 656150214 /nfs/dbraw/zinc/15/02/14/656150214.db2.gz HXKHCYJXQKREJQ-XWEPSHTISA-N 1 0 391.184 1.222 20 0 GDADRO O=C(c1cc(Br)cn2ccnc12)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000868343752 656151411 /nfs/dbraw/zinc/15/14/11/656151411.db2.gz JIRMKHPXJPMRES-QWHCGFSZSA-N 1 0 379.258 1.378 20 0 GDADRO CCOC(=O)CS[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)C(F)(F)F ZINC000868367623 656152120 /nfs/dbraw/zinc/15/21/20/656152120.db2.gz RSHDMGZJYITSPH-NWDGAFQWSA-N 1 0 385.452 1.855 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000868390358 656153774 /nfs/dbraw/zinc/15/37/74/656153774.db2.gz ZETYTCCLZAKOGY-YOEHRIQHSA-N 1 0 398.301 1.450 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868422153 656155102 /nfs/dbraw/zinc/15/51/02/656155102.db2.gz QSBXHJXXSGMMQN-NWDGAFQWSA-N 1 0 386.315 1.822 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868419956 656155150 /nfs/dbraw/zinc/15/51/50/656155150.db2.gz SXHFHXPCKBZYKE-UWVGGRQHSA-N 1 0 376.404 1.473 20 0 GDADRO CC(=O)N[C@H](C(=O)NCC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000868758505 656167976 /nfs/dbraw/zinc/16/79/76/656167976.db2.gz WNSFASLHXYELTB-INIZCTEOSA-N 1 0 398.301 1.199 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COC[C@@]1(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C[NH2+]CCO1 ZINC000876556346 656613606 /nfs/dbraw/zinc/61/36/06/656613606.db2.gz PJYHOCTZCXZEFM-OAHLLOKOSA-N 1 0 376.240 1.053 20 0 GDADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000876608311 656617276 /nfs/dbraw/zinc/61/72/76/656617276.db2.gz FQMAPLUPGUDEPN-KXAWDHGWSA-N 1 0 380.286 1.707 20 0 GDADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000876660448 656622226 /nfs/dbraw/zinc/62/22/26/656622226.db2.gz DLZZBAULSQOGDO-NSHDSACASA-N 1 0 385.555 1.956 20 0 GDADRO COC[C@@]1(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)C[NH2+]CCO1 ZINC000876682951 656623623 /nfs/dbraw/zinc/62/36/23/656623623.db2.gz OBLDQBVEJACMGP-MLGOLLRUSA-N 1 0 387.274 1.338 20 0 GDADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000876720197 656626039 /nfs/dbraw/zinc/62/60/39/656626039.db2.gz DJNBMETWAUEYBV-KXAWDHGWSA-N 1 0 379.302 1.904 20 0 GDADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876773196 656630116 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CS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)ccc1Br ZINC000877003393 656645167 /nfs/dbraw/zinc/64/51/67/656645167.db2.gz SVELETCCORQNGK-CYBMUJFWSA-N 1 0 387.299 1.867 20 0 GDADRO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)CC)CC1 ZINC000924383869 656646222 /nfs/dbraw/zinc/64/62/22/656646222.db2.gz KRZVXFNQHFCWFC-OAHLLOKOSA-N 1 0 391.603 1.524 20 0 GDADRO CC(C)n1ncc(C(=O)NCC2([NH3+])CCOCC2)c1I ZINC000877014655 656646391 /nfs/dbraw/zinc/64/63/91/656646391.db2.gz KYPJRWNIKFQSAF-UHFFFAOYSA-N 1 0 392.241 1.306 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000877112131 656653648 /nfs/dbraw/zinc/65/36/48/656653648.db2.gz QECNYOGIIPCXLX-ISVAXAHUSA-N 1 0 392.308 1.914 20 0 GDADRO Cn1cc(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)c(Br)n1 ZINC000924554935 656657355 /nfs/dbraw/zinc/65/73/55/656657355.db2.gz FMKBMLFPZALRRK-UHFFFAOYSA-N 1 0 388.310 1.171 20 0 GDADRO [NH3+]CC12CCC(CC1)N2C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000877191883 656659331 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383.901 1.036 20 0 GDADRO CCOc1ccc([C@]2(C(=O)NCC[N@H+](C)CCO)CC2(Cl)Cl)cc1 ZINC000925003074 656691297 /nfs/dbraw/zinc/69/12/97/656691297.db2.gz YRLPWRIZTXIXOT-INIZCTEOSA-N 1 0 375.296 1.941 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000877776185 656691818 /nfs/dbraw/zinc/69/18/18/656691818.db2.gz ADLFTAVAESSTTI-VHSXEESVSA-N 1 0 397.282 1.470 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)C1(C)C ZINC000925126784 656695206 /nfs/dbraw/zinc/69/52/06/656695206.db2.gz QAXRNDFIZZVBGG-ZDUSSCGKSA-N 1 0 376.519 1.304 20 0 GDADRO Cn1cc([C@@H]2CSCCN2C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cn1 ZINC000925159823 656696948 /nfs/dbraw/zinc/69/69/48/656696948.db2.gz DWDXDDNXIYBABB-PMPSAXMXSA-N 1 0 381.571 1.799 20 0 GDADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1CC[N@@H+]1CCCOCC1 ZINC000925339670 656706469 /nfs/dbraw/zinc/70/64/69/656706469.db2.gz HPQRHMFZERUBRJ-CQSZACIVSA-N 1 0 382.258 1.764 20 0 GDADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1CC[N@@H+]1CCCOCC1 ZINC000925350298 656707099 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20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)Oc1ccccc1Br ZINC000884621600 657367338 /nfs/dbraw/zinc/36/73/38/657367338.db2.gz NJEDRGVVSOGGTI-IJLUTSLNSA-N 1 0 384.274 1.281 20 0 GDADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884666627 657369930 /nfs/dbraw/zinc/36/99/30/657369930.db2.gz JSIUNSJLBSFEDI-JTQLQIEISA-N 1 0 380.222 1.971 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000884675437 657370229 /nfs/dbraw/zinc/37/02/29/657370229.db2.gz CZCJYLPWHBOOIT-UHFFFAOYSA-N 1 0 396.207 1.810 20 0 GDADRO O=C(NCC1(c2ccc(Br)cc2)CC1)C(=O)NC1CC[NH2+]CC1 ZINC000884674926 657370276 /nfs/dbraw/zinc/37/02/76/657370276.db2.gz MLCSKGIIUJXAOQ-UHFFFAOYSA-N 1 0 380.286 1.465 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000884680782 657370948 /nfs/dbraw/zinc/37/09/48/657370948.db2.gz BECIWCJZRVEDCA-ZDUSSCGKSA-N 1 0 394.313 1.713 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCc1sccc1Br)[C@H]1CCC[NH2+]C1 ZINC000884684071 657371192 /nfs/dbraw/zinc/37/11/92/657371192.db2.gz WMTDDLMCPFZWOD-QWRGUYRKSA-N 1 0 388.331 1.674 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000884685733 657371273 /nfs/dbraw/zinc/37/12/73/657371273.db2.gz ONFNWHUYEHFSOT-GJZGRUSLSA-N 1 0 394.313 1.983 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000884718037 657375080 /nfs/dbraw/zinc/37/50/80/657375080.db2.gz SYVKAIAUQTVBRD-IUODEOHRSA-N 1 0 394.313 1.854 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000884751017 657377369 /nfs/dbraw/zinc/37/73/69/657377369.db2.gz IJOBPNIXWORYML-UHFFFAOYSA-N 1 0 378.782 1.615 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884808116 657380179 /nfs/dbraw/zinc/38/01/79/657380179.db2.gz OPZHWVAMZNEIOA-ZDUSSCGKSA-N 1 0 399.289 1.199 20 0 GDADRO CCC1([NH3+])CCN(C(=O)C(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000884808582 657380350 /nfs/dbraw/zinc/38/03/50/657380350.db2.gz WSYBMLQXWNXASP-UHFFFAOYSA-N 1 0 399.289 1.199 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C[NH2+]1 ZINC000884819504 657381220 /nfs/dbraw/zinc/38/12/20/657381220.db2.gz GZQVVGDTSVZYJQ-UWVGGRQHSA-N 1 0 375.803 1.814 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN[C@H](CO)c1ccccc1I ZINC000934828970 657381919 /nfs/dbraw/zinc/38/19/19/657381919.db2.gz WGNGDTAKDHBNGP-SWLSCSKDSA-N 1 0 392.281 1.615 20 0 GDADRO O=S1(=O)CC[C@@H](C[NH2+][C@H](CO)c2ccccc2I)C1 ZINC000934829214 657382315 /nfs/dbraw/zinc/38/23/15/657382315.db2.gz ZUXDWKGOPBJGJL-GXFFZTMASA-N 1 0 395.262 1.349 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000884951468 657389696 /nfs/dbraw/zinc/38/96/96/657389696.db2.gz DYCOVMKNKFHUFD-NEPJUHHUSA-N 1 0 391.490 1.102 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)o1 ZINC000935012793 657391961 /nfs/dbraw/zinc/39/19/61/657391961.db2.gz OMDFENCXNDQJQI-GWCFXTLKSA-N 1 0 387.889 1.669 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000884990758 657397283 /nfs/dbraw/zinc/39/72/83/657397283.db2.gz LGPZMNFUQMXXKP-CABZTGNLSA-N 1 0 375.803 1.753 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C1 ZINC000884990546 657397351 /nfs/dbraw/zinc/39/73/51/657397351.db2.gz IARVMJNRRHDMSK-MRXNPFEDSA-N 1 0 375.803 1.755 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C1 ZINC000884990504 657397396 /nfs/dbraw/zinc/39/73/96/657397396.db2.gz HGQCYZFQEQBKEO-NXEZZACHSA-N 1 0 375.803 1.753 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Br)[nH]c2=O)ccc1=O ZINC000935084880 657399935 /nfs/dbraw/zinc/39/99/35/657399935.db2.gz ZNRPBBSAPYHOSK-UHFFFAOYSA-N 1 0 381.230 1.525 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1=O ZINC000935085469 657400049 /nfs/dbraw/zinc/40/00/49/657400049.db2.gz QWRXFVBOVFBBDR-CYBMUJFWSA-N 1 0 382.302 1.952 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ncc(Br)s1 ZINC000885032975 657410841 /nfs/dbraw/zinc/41/08/41/657410841.db2.gz JHUSAGRZCMZQIT-SECBINFHSA-N 1 0 377.308 1.354 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCc2ncc(Br)s2)[C@H]1C[NH3+] ZINC000885032767 657410990 /nfs/dbraw/zinc/41/09/90/657410990.db2.gz DFZQHGJVIRQGNU-IUCAKERBSA-N 1 0 375.292 1.108 20 0 GDADRO CC(C)[C@H](CNS(=O)(=O)C[C@@H]1CCCC(C)(C)O1)N1CC[NH+](C)CC1 ZINC000885033619 657411628 /nfs/dbraw/zinc/41/16/28/657411628.db2.gz YPTSPJVHIWBJEW-IRXDYDNUSA-N 1 0 375.579 1.526 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1Br ZINC000885096836 657418635 /nfs/dbraw/zinc/41/86/35/657418635.db2.gz OHEHHFPAEBOLIZ-HUUCEWRRSA-N 1 0 380.286 1.727 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000885096687 657418715 /nfs/dbraw/zinc/41/87/15/657418715.db2.gz MYRNMPYGTCCRGE-GXTWGEPZSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000885101826 657419886 /nfs/dbraw/zinc/41/98/86/657419886.db2.gz FZOBOXMFPAKMLW-CHWSQXEVSA-N 1 0 394.313 1.793 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)[C@H](C)C[NH2+]1 ZINC000885109241 657421674 /nfs/dbraw/zinc/42/16/74/657421674.db2.gz LIBRFSVZEUBOFJ-RKDXNWHRSA-N 1 0 378.782 1.579 20 0 GDADRO CC(C)([NH3+])CCNC(=O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000885206633 657428451 /nfs/dbraw/zinc/42/84/51/657428451.db2.gz LBDAAQUNKJVWKO-UHFFFAOYSA-N 1 0 388.299 1.281 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)C[C@H]3C(=O)Nc4c3cccc4Br)C[C@H]2C1 ZINC000935694669 657470280 /nfs/dbraw/zinc/47/02/80/657470280.db2.gz ZDTXCQQAAJWZSO-NTZNESFSSA-N 1 0 378.270 1.895 20 0 GDADRO Cc1cc(C(=O)N[C@@H](CO)C[NH+](C)C)nn1-c1ccccc1Br ZINC000935981532 657534189 /nfs/dbraw/zinc/53/41/89/657534189.db2.gz QFDNTHOXHPZSTR-GFCCVEGCSA-N 1 0 381.274 1.596 20 0 GDADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@H](CO)C[NH+]1CCCC1 ZINC000935983247 657534321 /nfs/dbraw/zinc/53/43/21/657534321.db2.gz BJBVGSVDHZZAIL-AAEUAGOBSA-N 1 0 396.285 1.448 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cnn2cccc(Br)c12 ZINC000936009242 657540336 /nfs/dbraw/zinc/54/03/36/657540336.db2.gz HLWMVFKQTQPWRX-UHFFFAOYSA-N 1 0 382.306 1.710 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(C=O)sc2Cl)CC1=O ZINC000936009781 657541067 /nfs/dbraw/zinc/54/10/67/657541067.db2.gz FNXKNRUWLQXBTM-LLVKDONJSA-N 1 0 387.889 1.123 20 0 GDADRO CO[C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000942008327 657555805 /nfs/dbraw/zinc/55/58/05/657555805.db2.gz SQSVJILVAICXQY-DDHJBXDOSA-N 1 0 386.905 1.092 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886229124 657626777 /nfs/dbraw/zinc/62/67/77/657626777.db2.gz LHANJMQCPWERLB-MCIONIFRSA-N 1 0 391.921 1.224 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2scnc2Cl)C3)C1 ZINC000996596128 657628022 /nfs/dbraw/zinc/62/80/22/657628022.db2.gz IQDKSEXHAQWOIL-RNJOBUHISA-N 1 0 382.917 2.000 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000886253799 657630550 /nfs/dbraw/zinc/63/05/50/657630550.db2.gz JQXKKAIYOPMGIO-ACHSLPGTSA-N 1 0 397.313 1.836 20 0 GDADRO Cc1cc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)c(Br)cc1F ZINC000886282389 657634935 /nfs/dbraw/zinc/63/49/35/657634935.db2.gz HIXJNBYJTSFPFV-UHFFFAOYSA-N 1 0 394.248 1.970 20 0 GDADRO Cn1ccn2c(CC[NH2+]Cc3ccc(Br)c(F)c3F)nnc2c1=O ZINC000886282453 657635002 /nfs/dbraw/zinc/63/50/02/657635002.db2.gz JPHIHLYDMBKCFE-UHFFFAOYSA-N 1 0 398.211 1.801 20 0 GDADRO Cc1ccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc1Br ZINC000886284140 657635816 /nfs/dbraw/zinc/63/58/16/657635816.db2.gz OGMYVFPVDMXSJJ-UHFFFAOYSA-N 1 0 376.258 1.831 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2cccc(I)c2)CC1 ZINC000886321159 657642982 /nfs/dbraw/zinc/64/29/82/657642982.db2.gz UVHOFUZFBRNGDB-UHFFFAOYSA-N 1 0 394.278 1.805 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nc(Cl)cs2)C1 ZINC000998629572 657653304 /nfs/dbraw/zinc/65/33/04/657653304.db2.gz HEWFPUAXTZGSHX-RNJOBUHISA-N 1 0 382.917 2.000 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CSC[C@@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000886563923 657675755 /nfs/dbraw/zinc/67/57/55/657675755.db2.gz 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CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000886891608 657719759 /nfs/dbraw/zinc/71/97/59/657719759.db2.gz BEWLGBYVTIUABH-LLVKDONJSA-N 1 0 375.878 1.680 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000886891955 657720450 /nfs/dbraw/zinc/72/04/50/657720450.db2.gz LXYQQPOCBOZAKC-CYBMUJFWSA-N 1 0 380.919 1.257 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886896629 657722389 /nfs/dbraw/zinc/72/23/89/657722389.db2.gz PKHAGZKJIUZRFT-LLVKDONJSA-N 1 0 395.859 1.565 20 0 GDADRO CCCOC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886896421 657722608 /nfs/dbraw/zinc/72/26/08/657722608.db2.gz IYGPDNUNALJQDQ-CYBMUJFWSA-N 1 0 376.425 1.777 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)ccc1C ZINC000886897675 657723892 /nfs/dbraw/zinc/72/38/92/657723892.db2.gz FJCOUOBGYGVXLX-GFCCVEGCSA-N 1 0 376.425 1.695 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000886898064 657724134 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CC[NH+]1CCC(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)(C(F)(F)F)CC1 ZINC000891211515 658202708 /nfs/dbraw/zinc/20/27/08/658202708.db2.gz HYUGQWHQCDVCTC-LBPRGKRZSA-N 1 0 385.452 1.191 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCCN2CCc3sccc3C2)C[C@@H]1C(F)(F)F ZINC000891411677 658236784 /nfs/dbraw/zinc/23/67/84/658236784.db2.gz ONRFSVSUGHCABA-OLZOCXBDSA-N 1 0 376.448 1.885 20 0 GDADRO CC[NH+](CC)CCCNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000891463903 658241915 /nfs/dbraw/zinc/24/19/15/658241915.db2.gz UKJGVPPMLUQHDY-ZDUSSCGKSA-N 1 0 398.305 1.738 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NC1CCN(CC(F)(F)F)CC1)C2 ZINC000891474775 658243451 /nfs/dbraw/zinc/24/34/51/658243451.db2.gz XXNNVQFLIDGKRY-UHFFFAOYSA-N 1 0 377.436 1.696 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000891484920 658244626 /nfs/dbraw/zinc/24/46/26/658244626.db2.gz JCKMDCGBYBFXCS-FZMZJTMJSA-N 1 0 383.290 1.700 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000891652094 658259469 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C[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000892213530 658309291 /nfs/dbraw/zinc/30/92/91/658309291.db2.gz BEBHFEGGXOIOID-UHFFFAOYSA-N 1 0 378.654 1.081 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000892358418 658320819 /nfs/dbraw/zinc/32/08/19/658320819.db2.gz NXVSBFDQPOTAAK-HTQZYQBOSA-N 1 0 384.200 1.461 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cnc(C(=O)OCC)s2)CC1 ZINC000892570400 658334113 /nfs/dbraw/zinc/33/41/13/658334113.db2.gz NVYZULUFXATBHQ-UHFFFAOYSA-N 1 0 375.516 1.614 20 0 GDADRO Cc1ccc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Br ZINC000892695719 658343343 /nfs/dbraw/zinc/34/33/43/658343343.db2.gz SVBIBGWKWQXKRN-AWEZNQCLSA-N 1 0 397.317 1.754 20 0 GDADRO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000892721444 658346397 /nfs/dbraw/zinc/34/63/97/658346397.db2.gz ARHMIXRKFCIRAC-HIFRSBDPSA-N 1 0 388.555 1.676 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1)C2 ZINC000892880021 658357516 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COCC[NH+]1CCC(NCc2cn(C)nc2I)CC1 ZINC000894207370 658521304 /nfs/dbraw/zinc/52/13/04/658521304.db2.gz VKCAGVGQIBJQHA-UHFFFAOYSA-N 1 0 378.258 1.225 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1cc2ccnc(Cl)c2s1)N1CCOCC1 ZINC000894244413 658527247 /nfs/dbraw/zinc/52/72/47/658527247.db2.gz YEFZGHUIYBIPAG-UHFFFAOYSA-N 1 0 375.903 1.701 20 0 GDADRO COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C1(F)F ZINC000894280857 658532881 /nfs/dbraw/zinc/53/28/81/658532881.db2.gz KETJTMCZMWRALW-XWIASGKRSA-N 1 0 377.771 1.789 20 0 GDADRO O=C(C[NH2+]C1CCS(=O)CC1)Nc1ccc(I)cc1 ZINC000894289726 658534330 /nfs/dbraw/zinc/53/43/30/658534330.db2.gz IQGTYIJZKQQJTD-UHFFFAOYSA-N 1 0 392.262 1.730 20 0 GDADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1nc(Br)nn1C)C(F)(F)F ZINC000894386294 658548737 /nfs/dbraw/zinc/54/87/37/658548737.db2.gz ZGNLJKMPMDMIOF-NSHDSACASA-N 1 0 397.199 1.241 20 0 GDADRO COC(=O)c1cc(Br)c(N2CCN(CC[NH+](C)C)C(=O)C2)nc1C ZINC000894383531 658548881 /nfs/dbraw/zinc/54/88/81/658548881.db2.gz 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GDADRO C[NH+]1CCC(CNC(=S)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000899678822 659042489 /nfs/dbraw/zinc/04/24/89/659042489.db2.gz GGARLXVEFNRPMM-UHFFFAOYSA-N 1 0 384.571 1.073 20 0 GDADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCC[N@H+](C)CCO ZINC000899729288 659055772 /nfs/dbraw/zinc/05/57/72/659055772.db2.gz CFRVWYFTOOJZPQ-SNVBAGLBSA-N 1 0 379.682 1.910 20 0 GDADRO CC[NH+](CC)CCCNC(=O)Cn1nc(Br)c(Br)n1 ZINC000899932121 659069147 /nfs/dbraw/zinc/06/91/47/659069147.db2.gz CMSLIAGYPBGCPX-UHFFFAOYSA-N 1 0 397.115 1.651 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000900013907 659083235 /nfs/dbraw/zinc/08/32/35/659083235.db2.gz BNFVSIRSUXSAPS-CYBMUJFWSA-N 1 0 396.289 1.578 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000900192993 659090398 /nfs/dbraw/zinc/09/03/98/659090398.db2.gz WFAIDJAEDNDZSS-MRXNPFEDSA-N 1 0 384.318 1.626 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000900695757 659138113 /nfs/dbraw/zinc/13/81/13/659138113.db2.gz PDZJRSZUZCLTFY-PBHICJAKSA-N 1 0 398.345 1.872 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN2CSCCSC2)[C@H](C)C1 ZINC000900730832 659141933 /nfs/dbraw/zinc/14/19/33/659141933.db2.gz IIQGMMLQUXMNAN-HZPDHXFCSA-N 1 0 375.604 1.937 20 0 GDADRO O=C([C@H](O)c1cccc(Br)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000900843191 659152289 /nfs/dbraw/zinc/15/22/89/659152289.db2.gz IZMDIWQRGBIIBP-CZUORRHYSA-N 1 0 383.286 1.663 20 0 GDADRO CC[NH+]1CCN(CCC(=O)N[C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000900933956 659171138 /nfs/dbraw/zinc/17/11/38/659171138.db2.gz QAMFWPDXGUBTGH-CYBMUJFWSA-N 1 0 384.322 1.104 20 0 GDADRO O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901009631 659179080 /nfs/dbraw/zinc/17/90/80/659179080.db2.gz RKWJOWSSTDAVOS-OLZOCXBDSA-N 1 0 383.436 1.434 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)CN3CSCCSC3)CC2)CC1 ZINC000901146772 659196581 /nfs/dbraw/zinc/19/65/81/659196581.db2.gz XUEUFIWEYFSXNX-UHFFFAOYSA-N 1 0 386.631 1.700 20 0 GDADRO 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1 0 384.264 1.465 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1F ZINC000903513476 659323044 /nfs/dbraw/zinc/32/30/44/659323044.db2.gz AMOQLAYHBLAFTA-CQSZACIVSA-N 1 0 393.278 1.971 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1F ZINC000903517565 659324783 /nfs/dbraw/zinc/32/47/83/659324783.db2.gz FLKGLRQOCLLORP-WCBMZHEXSA-N 1 0 381.267 1.873 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)NCC2=CC[NH2+]CC2)c1F ZINC000903518022 659325472 /nfs/dbraw/zinc/32/54/72/659325472.db2.gz JDVJGEBBOVBGDH-UHFFFAOYSA-N 1 0 379.251 1.795 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903523184 659328688 /nfs/dbraw/zinc/32/86/88/659328688.db2.gz WLIXGSSQWKHTBQ-ONGXEEELSA-N 1 0 391.287 1.819 20 0 GDADRO C[C@@H]1CC[C@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C[NH2+]1 ZINC000903525753 659329880 /nfs/dbraw/zinc/32/98/80/659329880.db2.gz ZHDQQSXZZKZOGE-KOLCDFICSA-N 1 0 391.287 1.738 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)c(OC)cc1Br ZINC000903528822 659330881 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O=S(=O)(c1sccc1Cl)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562243 659341678 /nfs/dbraw/zinc/34/16/78/659341678.db2.gz IZQPOQCRZDBCEC-BETUJISGSA-N 1 0 375.947 1.991 20 0 GDADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000903564988 659342483 /nfs/dbraw/zinc/34/24/83/659342483.db2.gz BHDJSVIIXNXSLN-UHFFFAOYSA-N 1 0 394.310 1.598 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1OC ZINC000903564591 659342639 /nfs/dbraw/zinc/34/26/39/659342639.db2.gz BKXZQEQMAYCBOG-DVVUODLYSA-N 1 0 391.287 1.638 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000903566425 659343376 /nfs/dbraw/zinc/34/33/76/659343376.db2.gz SYQSSHPBVQSVLM-UHFFFAOYSA-N 1 0 376.320 1.459 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000903565989 659343492 /nfs/dbraw/zinc/34/34/92/659343492.db2.gz WSHVLGICHSRLPY-UHFFFAOYSA-N 1 0 394.310 1.431 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1F ZINC000903570533 659344559 /nfs/dbraw/zinc/34/45/59/659344559.db2.gz OJRLCTINWFJORD-HTRCEHHLSA-N 1 0 388.314 1.262 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Br)cc3c1OCC3)C2 ZINC000903578687 659349545 /nfs/dbraw/zinc/34/95/45/659349545.db2.gz DPBPZAOLZINUEE-XDTLVQLUSA-N 1 0 387.299 1.884 20 0 GDADRO CC(=O)Nc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1C ZINC000903578469 659349627 /nfs/dbraw/zinc/34/96/27/659349627.db2.gz IAMGGNAFISZGQQ-QWHCGFSZSA-N 1 0 379.404 1.854 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2cncc(Br)c2)CC[C@H]1C(F)(F)F ZINC000903579274 659350219 /nfs/dbraw/zinc/35/02/19/659350219.db2.gz MWWQRWVMEOHABL-ZJUUUORDSA-N 1 0 388.209 1.744 20 0 GDADRO COC(=O)c1ccc(F)cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903580368 659351038 /nfs/dbraw/zinc/35/10/38/659351038.db2.gz UIYREPZXVYSKKK-QWRGUYRKSA-N 1 0 384.351 1.513 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C3)cnc2c1Cl ZINC000903580188 659351048 /nfs/dbraw/zinc/35/10/48/659351048.db2.gz SPTUZWRQMMIDFP-ZJUUUORDSA-N 1 0 397.810 1.591 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1C ZINC000903580868 659351580 /nfs/dbraw/zinc/35/15/80/659351580.db2.gz YTMSWWKDKNQHTJ-OLZOCXBDSA-N 1 0 380.388 1.682 20 0 GDADRO CCc1nc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cn1CC1CC1 ZINC000903581471 659351811 /nfs/dbraw/zinc/35/18/11/659351811.db2.gz MNCLGYQOUSICMW-NEPJUHHUSA-N 1 0 380.436 1.756 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000903587034 659354422 /nfs/dbraw/zinc/35/44/22/659354422.db2.gz NQZMTEJHNPKTTK-CYBMUJFWSA-N 1 0 384.571 1.740 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903590452 659356380 /nfs/dbraw/zinc/35/63/80/659356380.db2.gz WLCIXGAXFWVJAH-HZMBPMFUSA-N 1 0 375.288 1.960 20 0 GDADRO CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903755420 659378969 /nfs/dbraw/zinc/37/89/69/659378969.db2.gz GYMYADAQTNIQOI-ZOBUZTSGSA-N 1 0 382.302 1.676 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1CC(=O)N(C)Cc1ccccc1Br ZINC000903831806 659383073 /nfs/dbraw/zinc/38/30/73/659383073.db2.gz XFVWMGIGGPTVEI-HNNXBMFYSA-N 1 0 384.318 1.718 20 0 GDADRO C[NH+]1CCC(OCC(=O)N2CC(=O)Nc3cc(Br)ccc32)CC1 ZINC000904075155 659394225 /nfs/dbraw/zinc/39/42/25/659394225.db2.gz XTEFDLDISFZQOM-UHFFFAOYSA-N 1 0 382.258 1.845 20 0 GDADRO CSCc1ccc(-c2noc(C[C@@H]3CS(=O)(=O)[C@H]4C[NH2+]C[C@@H]43)n2)cc1 ZINC000904088877 659394999 /nfs/dbraw/zinc/39/49/99/659394999.db2.gz QAHPTRLPERJTGJ-KFWWJZLASA-N 1 0 379.507 1.775 20 0 GDADRO Cc1c(-c2nc(N3CC[NH2+]CC3)no2)nnn1-c1ccccc1Br ZINC000904125949 659396225 /nfs/dbraw/zinc/39/62/25/659396225.db2.gz AEXAFMGMLWHPMX-UHFFFAOYSA-N 1 0 390.245 1.798 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905000879 659416191 /nfs/dbraw/zinc/41/61/91/659416191.db2.gz MQDQQIPIQDZCEU-SUMWQHHRSA-N 1 0 380.286 1.747 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905016320 659417284 /nfs/dbraw/zinc/41/72/84/659417284.db2.gz ZJNBGVDVNHIIHA-HNNXBMFYSA-N 1 0 386.315 1.824 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905024348 659417665 /nfs/dbraw/zinc/41/76/65/659417665.db2.gz LMPUWEITEQHSSZ-XJKSGUPXSA-N 1 0 387.274 1.188 20 0 GDADRO C[C@@H](COCC(F)(F)F)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905067184 659420309 /nfs/dbraw/zinc/42/03/09/659420309.db2.gz VOALTQJFKQGHMH-RYUDHWBXSA-N 1 0 390.468 1.545 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905109171 659424902 /nfs/dbraw/zinc/42/49/02/659424902.db2.gz CHQMMNSSOKIHKO-AWEZNQCLSA-N 1 0 384.489 1.287 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)ccc1I ZINC000905245597 659436550 /nfs/dbraw/zinc/43/65/50/659436550.db2.gz XCZZFHZDNRLCPX-DZGCQCFKSA-N 1 0 391.249 1.592 20 0 GDADRO COc1ccc(Cl)c(N2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)c1 ZINC000905346056 659444983 /nfs/dbraw/zinc/44/49/83/659444983.db2.gz MKSFZZVGKXJDBK-UHFFFAOYSA-N 1 0 387.933 1.800 20 0 GDADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccccc1Br)CC1(O)CCCC1 ZINC000905369452 659448616 /nfs/dbraw/zinc/44/86/16/659448616.db2.gz ZKBOBGMYZMLZCY-KGLIPLIRSA-N 1 0 388.302 1.835 20 0 GDADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000905431814 659452648 /nfs/dbraw/zinc/45/26/48/659452648.db2.gz MDUGDKMMVXIJDN-HIFRSBDPSA-N 1 0 392.315 1.746 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@H](O)c2ccccc2Br)CCS(=O)(=O)C1 ZINC000905557477 659464892 /nfs/dbraw/zinc/46/48/92/659464892.db2.gz OPNCXRSQIZTMBQ-UONOGXRCSA-N 1 0 378.288 1.276 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)CCS(=O)(=O)C1 ZINC000905559064 659465465 /nfs/dbraw/zinc/46/54/65/659465465.db2.gz UXICXLGYRMCHSD-ZBFHGGJFSA-N 1 0 377.890 1.011 20 0 GDADRO Cn1nccc1[C@H](O)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000905626829 659470665 /nfs/dbraw/zinc/47/06/65/659470665.db2.gz SEZBNFFJZORYLT-IUODEOHRSA-N 1 0 388.237 1.385 20 0 GDADRO C[C@@](O)(C[NH2+]CCCc1ccc(S(N)(=O)=O)cc1)C(F)(F)C(F)(F)F ZINC000905685867 659475603 /nfs/dbraw/zinc/47/56/03/659475603.db2.gz FDJWRUWGEBVCDP-GFCCVEGCSA-N 1 0 390.374 1.805 20 0 GDADRO CCCCCC[C@H](O)C[NH2+][C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000905709683 659478505 /nfs/dbraw/zinc/47/85/05/659478505.db2.gz OOHFBXIEARKHRE-LPMVOBIJSA-N 1 0 375.531 1.806 20 0 GDADRO O=C(CNC(=O)c1cnc(Br)s1)NCC[NH+]1CCCCCC1 ZINC000905811560 659484532 /nfs/dbraw/zinc/48/45/32/659484532.db2.gz XHLMTJSDLCEIGL-UHFFFAOYSA-N 1 0 389.319 1.628 20 0 GDADRO CC[NH+]1CCN(c2ccc(NS(=O)(=O)N=S3(=O)CCCC3)cc2)CC1 ZINC000906057288 659514532 /nfs/dbraw/zinc/51/45/32/659514532.db2.gz JBQHXGZWIKVXNU-UHFFFAOYSA-N 1 0 386.543 1.747 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1nscc1I ZINC000906460623 659543277 /nfs/dbraw/zinc/54/32/77/659543277.db2.gz VGSMFHZYRLMVMF-IUCAKERBSA-N 1 0 393.250 1.341 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nscc1I ZINC000906460621 659543497 /nfs/dbraw/zinc/54/34/97/659543497.db2.gz VGSMFHZYRLMVMF-BDAKNGLRSA-N 1 0 393.250 1.341 20 0 GDADRO CC[NH+]1CCC(N(C)C(=O)c2cn(C)nc2I)CC1 ZINC000906520304 659550598 /nfs/dbraw/zinc/55/05/98/659550598.db2.gz DDCXLIFGPLHEQM-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccn2ncc(Br)c12 ZINC000906602551 659560292 /nfs/dbraw/zinc/56/02/92/659560292.db2.gz QROSNSRDNKYFIC-GFCCVEGCSA-N 1 0 380.290 1.463 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)ccc1Br ZINC000906717381 659574839 /nfs/dbraw/zinc/57/48/39/659574839.db2.gz OHFSPPQHVQWQIQ-UHFFFAOYSA-N 1 0 381.274 1.739 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000906726834 659576756 /nfs/dbraw/zinc/57/67/56/659576756.db2.gz IZTYGMYMVJZTQC-CYZMBNFOSA-N 1 0 399.232 1.547 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cnc(Cl)c(Br)c1)C2 ZINC000906757382 659582573 /nfs/dbraw/zinc/58/25/73/659582573.db2.gz VYAFZCDGTIMFEU-NRPADANISA-N 1 0 387.665 1.774 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906757694 659582918 /nfs/dbraw/zinc/58/29/18/659582918.db2.gz OYYZGOHWMVPHQO-HNNXBMFYSA-N 1 0 399.232 1.584 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC000906764578 659583512 /nfs/dbraw/zinc/58/35/12/659583512.db2.gz FGXSFMYIEAUQPU-MRXNPFEDSA-N 1 0 382.258 1.751 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000906770759 659584621 /nfs/dbraw/zinc/58/46/21/659584621.db2.gz RGDUVOROBVTZFS-SECBINFHSA-N 1 0 392.200 1.113 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000906778547 659585595 /nfs/dbraw/zinc/58/55/95/659585595.db2.gz DSDXSYOYBFIHSL-JTQLQIEISA-N 1 0 390.665 1.488 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906780001 659586119 /nfs/dbraw/zinc/58/61/19/659586119.db2.gz VHFBFXLCVJSXEA-GTNSWQLSSA-N 1 0 396.285 1.963 20 0 GDADRO Cn1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c(I)n1 ZINC000906906736 659615014 /nfs/dbraw/zinc/61/50/14/659615014.db2.gz JFTNRQNLJJBWMU-UHFFFAOYSA-N 1 0 385.209 1.734 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1 ZINC000906973286 659631710 /nfs/dbraw/zinc/63/17/10/659631710.db2.gz CRNYABSEJMZDFQ-UHFFFAOYSA-N 1 0 386.905 1.684 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)oc1Cl ZINC000907186978 659694709 /nfs/dbraw/zinc/69/47/09/659694709.db2.gz PALRNDJXBDILRQ-QWRGUYRKSA-N 1 0 376.862 1.967 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)[NH+](C)C ZINC000907280556 659718178 /nfs/dbraw/zinc/71/81/78/659718178.db2.gz WWKWRHFGGTZIIY-QMMMGPOBSA-N 1 0 396.282 1.306 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)NCc1ccc(OCC(F)(F)F)nn1 ZINC000907365068 659737353 /nfs/dbraw/zinc/73/73/53/659737353.db2.gz BVVXHCUTPQQPKA-UHFFFAOYSA-N 1 0 382.408 1.323 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)C[C@]2(C)C1 ZINC000907556133 659783069 /nfs/dbraw/zinc/78/30/69/659783069.db2.gz YTQORKYTYQVPTM-BMIGLBTASA-N 1 0 382.877 1.092 20 0 GDADRO CCCN(CCC[NH+](C)C)C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 ZINC000907657460 659802287 /nfs/dbraw/zinc/80/22/87/659802287.db2.gz JHDPQDBFFPYRNZ-CQSZACIVSA-N 1 0 387.571 1.778 20 0 GDADRO CCOC(=O)C1([C@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)CCOCC1 ZINC000907658776 659802502 /nfs/dbraw/zinc/80/25/02/659802502.db2.gz KDOPMHWPTDRNQY-HNNXBMFYSA-N 1 0 376.519 1.140 20 0 GDADRO CCCN(CCC[NH+](C)C)C(=O)c1cn(C)nc1I ZINC000907658104 659802548 /nfs/dbraw/zinc/80/25/48/659802548.db2.gz RKGNGFOHNHVEBL-UHFFFAOYSA-N 1 0 378.258 1.829 20 0 GDADRO C[NH+](C)CC1(NC(=O)Cn2nc(Br)c(Br)n2)CCC1 ZINC000907964728 659848552 /nfs/dbraw/zinc/84/85/52/659848552.db2.gz YAWNCGRTGRTYKD-UHFFFAOYSA-N 1 0 395.099 1.404 20 0 GDADRO CO[C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)s1 ZINC000908028318 659858028 /nfs/dbraw/zinc/85/80/28/659858028.db2.gz NKGMZQOCJBCVDK-BXUZGUMPSA-N 1 0 388.331 1.704 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)C12CC[NH+](CC1)C2 ZINC000908138802 659875268 /nfs/dbraw/zinc/87/52/68/659875268.db2.gz QTKGNSOCWDVRHN-UHFFFAOYSA-N 1 0 392.308 1.484 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cccnc1-n1cc(Br)cn1 ZINC000908202767 659881867 /nfs/dbraw/zinc/88/18/67/659881867.db2.gz KDIDMBWSBOISIQ-CYBMUJFWSA-N 1 0 394.273 1.216 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1nscc1I ZINC000908539638 659923822 /nfs/dbraw/zinc/92/38/22/659923822.db2.gz CZLVNXPRKQFXFM-SECBINFHSA-N 1 0 395.266 1.324 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Br)cn(C2CC2)c1=O ZINC000908540681 659923894 /nfs/dbraw/zinc/92/38/94/659923894.db2.gz MNFQQAQYBSOVCO-AWEZNQCLSA-N 1 0 398.301 1.522 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC1 ZINC000908610323 659926647 /nfs/dbraw/zinc/92/66/47/659926647.db2.gz YGEWOMMEKODGMK-UHFFFAOYSA-N 1 0 389.905 1.104 20 0 GDADRO Cc1c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nnn1-c1ccccc1Br ZINC000909145174 659940407 /nfs/dbraw/zinc/94/04/07/659940407.db2.gz DDWAVSGWKVQUJU-ATCWAGBWSA-N 1 0 390.285 1.970 20 0 GDADRO Cn1cc(I)c(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)n1 ZINC000909249287 659943905 /nfs/dbraw/zinc/94/39/05/659943905.db2.gz QNNVRAYNTKPUCY-GXFFZTMASA-N 1 0 388.253 1.658 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)c1nc(C(F)(F)F)cs1 ZINC000911039406 659991853 /nfs/dbraw/zinc/99/18/53/659991853.db2.gz JGZUEEAUYOYZIY-DTWKUNHWSA-N 1 0 378.420 1.925 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000911042488 659992195 /nfs/dbraw/zinc/99/21/95/659992195.db2.gz LCPKQEYJHNLNOB-DYVFJYSZSA-N 1 0 380.286 1.714 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911081665 659993827 /nfs/dbraw/zinc/99/38/27/659993827.db2.gz VBBWZTNJCNVWNY-OLZOCXBDSA-N 1 0 382.302 1.817 20 0 GDADRO [NH3+][C@H]1CN(C(=O)C(=O)NCc2c(F)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000911088481 659994013 /nfs/dbraw/zinc/99/40/13/659994013.db2.gz RHUPZSJWHZCDQG-CABZTGNLSA-N 1 0 381.757 1.833 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000911101809 659994325 /nfs/dbraw/zinc/99/43/25/659994325.db2.gz KMNNWNKGGREXHU-QMTHXVAHSA-N 1 0 386.265 1.361 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)c1ccccc1Br ZINC000911101093 659994337 /nfs/dbraw/zinc/99/43/37/659994337.db2.gz LUQGGDDTUDSSOI-HAQNSBGRSA-N 1 0 382.302 1.696 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCCCc2ccc(Br)cc2F)C1 ZINC000911103188 659994403 /nfs/dbraw/zinc/99/44/03/659994403.db2.gz RJLIUTQPFZHORC-MJHDQNEOSA-N 1 0 386.265 1.491 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911112228 659994895 /nfs/dbraw/zinc/99/48/95/659994895.db2.gz JTHNZHKSOVOOHU-YVEFUNNKSA-N 1 0 396.285 1.414 20 0 GDADRO CCc1nc(CCNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cs1 ZINC000911135344 659996248 /nfs/dbraw/zinc/99/62/48/659996248.db2.gz NVYVSICFOPREDY-MNOVXSKESA-N 1 0 378.420 1.102 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911137370 659996486 /nfs/dbraw/zinc/99/64/86/659996486.db2.gz GAQLOWQJKILQFO-OCCSQVGLSA-N 1 0 382.302 1.926 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911155347 659996715 /nfs/dbraw/zinc/99/67/15/659996715.db2.gz JDFGBZRBXOCFIA-VXGBXAGGSA-N 1 0 398.301 1.436 20 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/nfs/dbraw/zinc/84/46/33/945844633.db2.gz IVLPGKYMNPEBIX-LBPRGKRZSA-N 1 0 387.444 1.857 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571282800 945862081 /nfs/dbraw/zinc/86/20/81/945862081.db2.gz RKFDVODYPCFSBR-HUUCEWRRSA-N 1 0 387.463 1.038 20 0 GDADRO C[N@H+](CC(=O)N1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1)C1CCC1 ZINC001571283098 945878091 /nfs/dbraw/zinc/87/80/91/945878091.db2.gz ZASVLWWLRUOGDI-UHFFFAOYSA-N 1 0 387.463 1.134 20 0 GDADRO Cc1[nH]nc(Cl)c1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571283649 945888036 /nfs/dbraw/zinc/88/80/36/945888036.db2.gz GYSXVLOVLNZPCQ-UHFFFAOYSA-N 1 0 387.835 1.345 20 0 GDADRO O=C(c1n[nH]cc1F)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571285654 945923583 /nfs/dbraw/zinc/92/35/83/945923583.db2.gz KXRZOQJIPFNPRD-NSHDSACASA-N 1 0 388.382 1.262 20 0 GDADRO CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573461982 945927550 /nfs/dbraw/zinc/92/75/50/945927550.db2.gz VCEVHJPETDGEME-OLZOCXBDSA-N 1 0 387.488 1.154 20 0 GDADRO O=C(CC1(O)CCC1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571287225 945970741 /nfs/dbraw/zinc/97/07/41/945970741.db2.gz BDQCHMGDJQHBND-UHFFFAOYSA-N 1 0 388.447 1.392 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)C1CCOCC1 ZINC001571287597 945976069 /nfs/dbraw/zinc/97/60/69/945976069.db2.gz FTOIENDLSWQVQU-SJCJKPOMSA-N 1 0 388.447 1.511 20 0 GDADRO CC1(CC(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001571287865 945981192 /nfs/dbraw/zinc/98/11/92/945981192.db2.gz JXRZENOBURGRBP-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CN(C(=O)CC2CC2)CCO1 ZINC001571288237 945982446 /nfs/dbraw/zinc/98/24/46/945982446.db2.gz MXAQTUYLLFNBLB-SJKOYZFVSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CO1 ZINC001571288139 945983924 /nfs/dbraw/zinc/98/39/24/945983924.db2.gz MOPZOKHULQQEOL-IUODEOHRSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)[C@H]1CCCOC1 ZINC001571288079 945983980 /nfs/dbraw/zinc/98/39/80/945983980.db2.gz LWVMWTSERGRGTN-HEHGZKQESA-N 1 0 388.447 1.417 20 0 GDADRO COC1CC(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571288896 945993445 /nfs/dbraw/zinc/99/34/45/945993445.db2.gz UDNLOBFALIRRGT-SHARSMKWSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(CC[N@H+]1CC[C@@H](F)C1)NC1(c2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC001571288742 945993890 /nfs/dbraw/zinc/99/38/90/945993890.db2.gz SLYCEJRILUWQGV-MRXNPFEDSA-N 1 0 388.447 1.423 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)[C@@H]1CCCO1 ZINC001571289597 946012684 /nfs/dbraw/zinc/01/26/84/946012684.db2.gz IMSWWMODRGSMRT-KLLIRPSPSA-N 1 0 388.497 1.290 20 0 GDADRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1Nc1ncc(-c2nn[nH]n2)cc1F ZINC001571289897 946022420 /nfs/dbraw/zinc/02/24/20/946022420.db2.gz PGXPLOOHGDUBOE-RISCZKNCSA-N 1 0 388.451 1.144 20 0 GDADRO COc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@H]2C)o1 ZINC001571290305 946039886 /nfs/dbraw/zinc/03/98/86/946039886.db2.gz ZYYRARBTVQLOSF-ZYHUDNBSSA-N 1 0 388.453 1.923 20 0 GDADRO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c(-c2nn[nH]n2)c1C ZINC000822541015 946117578 /nfs/dbraw/zinc/11/75/78/946117578.db2.gz KODMUTAITSSAHJ-TZMCWYRMSA-N 1 0 398.471 1.702 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000822535346 946119023 /nfs/dbraw/zinc/11/90/23/946119023.db2.gz NXTYPHRWIAFGLF-YPMHNXCESA-N 1 0 381.440 1.914 20 0 GDADRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@H]([C@@H]2CCCO2)C1 ZINC001571293825 946119331 /nfs/dbraw/zinc/11/93/31/946119331.db2.gz SSJYUIDOAZRGGV-COXVUDFISA-N 1 0 389.431 1.938 20 0 GDADRO Cc1sc(NC(=O)C[NH2+]C2(CO)Cc3ccccc3C2)c(-c2nn[nH]n2)c1C ZINC000822562530 946128556 /nfs/dbraw/zinc/12/85/56/946128556.db2.gz APHJEKQCUAMJCO-UHFFFAOYSA-N 1 0 398.492 1.603 20 0 GDADRO O=C(Cc1cscn1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571294706 946143719 /nfs/dbraw/zinc/14/37/19/946143719.db2.gz KYTXBHQUXAWQET-LBPRGKRZSA-N 1 0 389.510 1.708 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1csc(Cl)n1 ZINC001571295351 946161119 /nfs/dbraw/zinc/16/11/19/946161119.db2.gz YPYHGKHSNXLMGL-GFCCVEGCSA-N 1 0 389.872 1.981 20 0 GDADRO O=C([C@@H]1Cc2ccccc2O1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571296311 946192141 /nfs/dbraw/zinc/19/21/41/946192141.db2.gz UPIABAMMIOSPQK-HKUYNNGSSA-N 1 0 390.447 1.561 20 0 GDADRO O=C(c1ccnnc1)N1CC[C@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571297902 946200627 /nfs/dbraw/zinc/20/06/27/946200627.db2.gz CPKVZIJLDJMVNB-FQEVSTJZSA-N 1 0 390.451 1.395 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)cnn1 ZINC001571298149 946208528 /nfs/dbraw/zinc/20/85/28/946208528.db2.gz ARGUEACAMKCICV-SQNIBIBYSA-N 1 0 390.451 1.500 20 0 GDADRO Cc1nsc(NC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)c1-c1nn[nH]n1 ZINC001571298566 946221478 /nfs/dbraw/zinc/22/14/78/946221478.db2.gz BAZIZRUPYAFBBI-RAIGVLPGSA-N 1 0 390.517 1.232 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571299229 946243512 /nfs/dbraw/zinc/24/35/12/946243512.db2.gz PKINWOUSLWDKBF-OWCLPIDISA-N 1 0 390.451 1.464 20 0 GDADRO C[C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571299623 946256831 /nfs/dbraw/zinc/25/68/31/946256831.db2.gz NQFJWNDDGDNXKR-LDYMZIIASA-N 1 0 390.860 1.366 20 0 GDADRO CCOC1CC(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571299929 946266019 /nfs/dbraw/zinc/26/60/19/946266019.db2.gz RGWREHKNFBRFOK-AKJUYKBHSA-N 1 0 390.513 1.870 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC001571306347 946398559 /nfs/dbraw/zinc/39/85/59/946398559.db2.gz TWQKUNFJWLSFKF-HNNXBMFYSA-N 1 0 391.479 1.758 20 0 GDADRO NC(=O)CC1([NH2+]CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CCCCC1 ZINC001571309350 946442736 /nfs/dbraw/zinc/44/27/36/946442736.db2.gz YFTBSBWJSFIOHU-UHFFFAOYSA-N 1 0 391.863 1.627 20 0 GDADRO CCc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001571310595 946475623 /nfs/dbraw/zinc/47/56/23/946475623.db2.gz KGUPTNOLNVWHJC-MOPGFXCFSA-N 1 0 392.463 1.404 20 0 GDADRO C[C@@H](CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001571310775 946478032 /nfs/dbraw/zinc/47/80/32/946478032.db2.gz MLIKGCFPJWGNIB-GOEBONIOSA-N 1 0 392.467 1.675 20 0 GDADRO CCN(C(=O)c1cnnc(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571314074 946542396 /nfs/dbraw/zinc/54/23/96/946542396.db2.gz ZSEKWNFRSCILIQ-QGZVFWFLSA-N 1 0 392.467 1.702 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2CC23CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC3)n1C ZINC001571314891 946545669 /nfs/dbraw/zinc/54/56/69/946545669.db2.gz CWIOVBAXJFFBOP-QGZVFWFLSA-N 1 0 392.467 1.698 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571314927 946548372 /nfs/dbraw/zinc/54/83/72/946548372.db2.gz DQISKBJKVOUZAO-UZLBHIALSA-N 1 0 392.467 1.825 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3cc4n(c3)CCCC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315830 946560501 /nfs/dbraw/zinc/56/05/01/946560501.db2.gz PADXWDACTFKVSA-OAHLLOKOSA-N 1 0 392.467 1.456 20 0 GDADRO Cc1cc(NC[C@]2(C)CCN(C(=O)c3ccncc3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315847 946560661 /nfs/dbraw/zinc/56/06/61/946560661.db2.gz PMGGWKZYKBFEIF-FQEVSTJZSA-N 1 0 392.467 1.660 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H](CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)ccn1 ZINC001571316149 946566315 /nfs/dbraw/zinc/56/63/15/946566315.db2.gz UXNUHAXKBNKRFS-OAHLLOKOSA-N 1 0 392.467 1.660 20 0 GDADRO Cc1ccc(C(=O)N2CCC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)nn1 ZINC001571316286 946570705 /nfs/dbraw/zinc/57/07/05/946570705.db2.gz YMQZZOBRNSAMIA-INIZCTEOSA-N 1 0 392.467 1.607 20 0 GDADRO Cc1cc(C(=O)NC2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)ncn1 ZINC001571316308 946571858 /nfs/dbraw/zinc/57/18/58/946571858.db2.gz YYIFGEVUKDMSDE-UHFFFAOYSA-N 1 0 392.467 1.796 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCc2n[nH]cc21 ZINC001571316333 946573550 /nfs/dbraw/zinc/57/35/50/946573550.db2.gz ACIKGDNWFXLXGU-CVEARBPZSA-N 1 0 392.467 1.400 20 0 GDADRO O=C(CCc1cnccn1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316740 946586342 /nfs/dbraw/zinc/58/63/42/946586342.db2.gz LDCKZCAJQCQKNX-SFHVURJKSA-N 1 0 392.467 1.370 20 0 GDADRO O=C(N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cncnc1 ZINC001571316882 946591887 /nfs/dbraw/zinc/59/18/87/946591887.db2.gz OXOKDXXDXDZTON-AEFFLSMTSA-N 1 0 392.467 1.735 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)CC1OCCCO1 ZINC001571317435 946609017 /nfs/dbraw/zinc/60/90/17/946609017.db2.gz HNXFUXMZZLNZCR-NWDGAFQWSA-N 1 0 392.485 1.160 20 0 GDADRO CC[C@@H](C(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571317513 946611113 /nfs/dbraw/zinc/61/11/13/946611113.db2.gz KSUPRWNQRQJRRG-OLZOCXBDSA-N 1 0 392.533 1.399 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCc2cncn2C1 ZINC001571317766 946621424 /nfs/dbraw/zinc/62/14/24/946621424.db2.gz UWBMNGAJLMKMDV-ULQDDVLXSA-N 1 0 392.467 1.063 20 0 GDADRO CC[C@H](C(=O)N1CC[C@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1)[NH+](C)C ZINC001571317949 946624439 /nfs/dbraw/zinc/62/44/39/946624439.db2.gz ZVJXCUOTUPMALK-BXUZGUMPSA-N 1 0 392.895 1.516 20 0 GDADRO CC(C)C[NH+]1CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824262200 946638371 /nfs/dbraw/zinc/63/83/71/946638371.db2.gz YDGXKJAPQMUAAW-SFHVURJKSA-N 1 0 383.500 1.636 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824377783 946674471 /nfs/dbraw/zinc/67/44/71/946674471.db2.gz NCLMHPYUILBBHR-CYBMUJFWSA-N 1 0 378.502 1.359 20 0 GDADRO CC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1F)CC2 ZINC001573530578 946698438 /nfs/dbraw/zinc/69/84/38/946698438.db2.gz WCQNQFFAZQVDFH-INIZCTEOSA-N 1 0 388.447 1.513 20 0 GDADRO CC(=O)N[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573536747 946739784 /nfs/dbraw/zinc/73/97/84/946739784.db2.gz BWBOYUSPUSIYMQ-CXAGYDPISA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000824565079 946804051 /nfs/dbraw/zinc/80/40/51/946804051.db2.gz YQFDJOGTRGXIMY-BIXPNRAVSA-N 1 0 384.465 1.893 20 0 GDADRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 ZINC001573547065 946827557 /nfs/dbraw/zinc/82/75/57/946827557.db2.gz VQCGKNBHNXQVNQ-NSHDSACASA-N 1 0 382.428 1.061 20 0 GDADRO C[C@H]([NH2+]CCCS(N)(=O)=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824594264 946847771 /nfs/dbraw/zinc/84/77/71/946847771.db2.gz ZIZJPLJRZXMHJR-ZDUSSCGKSA-N 1 0 386.481 1.863 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599909 946851335 /nfs/dbraw/zinc/85/13/35/946851335.db2.gz URZHEGAVVWNPLS-CZUORRHYSA-N 1 0 394.501 1.006 20 0 GDADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825068699 947064073 /nfs/dbraw/zinc/06/40/73/947064073.db2.gz VNFAFWUSNCMZAJ-CHWSQXEVSA-N 1 0 382.472 1.660 20 0 GDADRO C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573586917 947295870 /nfs/dbraw/zinc/29/58/70/947295870.db2.gz UMLXFEBMBXVJHC-HUUCEWRRSA-N 1 0 386.504 1.785 20 0 GDADRO CCc1cnccc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825739787 947310167 /nfs/dbraw/zinc/31/01/67/947310167.db2.gz JXLUEYXUEHFCOJ-CYBMUJFWSA-N 1 0 386.481 1.949 20 0 GDADRO CCc1nn(C)c(CC)c1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000825759621 947319290 /nfs/dbraw/zinc/31/92/90/947319290.db2.gz LAPJDRKURCTYRL-UHFFFAOYSA-N 1 0 395.515 1.879 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)ccc1=O ZINC000825870164 947350858 /nfs/dbraw/zinc/35/08/58/947350858.db2.gz CHQDSMDXVPYMBX-UHFFFAOYSA-N 1 0 381.440 1.161 20 0 GDADRO C[C@@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573594353 947392279 /nfs/dbraw/zinc/39/22/79/947392279.db2.gz YIABESFUVSQRFX-DYVFJYSZSA-N 1 0 385.472 1.504 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000826033353 947409764 /nfs/dbraw/zinc/40/97/64/947409764.db2.gz ATRSNGOFCHCIDU-NZSAHSFTSA-N 1 0 395.511 1.778 20 0 GDADRO CC(C(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1)=C1CCCC1 ZINC001573596127 947426558 /nfs/dbraw/zinc/42/65/58/947426558.db2.gz IRXUXRPVDVCNGX-HNNXBMFYSA-N 1 0 385.472 1.114 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573601767 947463456 /nfs/dbraw/zinc/46/34/56/947463456.db2.gz BEGFZFKIKPWXBS-AWEZNQCLSA-N 1 0 382.472 1.294 20 0 GDADRO COCC1(O)CC[NH+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826153126 947483727 /nfs/dbraw/zinc/48/37/27/947483727.db2.gz CFLVAMQSIFRYQJ-UHFFFAOYSA-N 1 0 383.456 1.241 20 0 GDADRO CC(C)N(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001573603422 947486768 /nfs/dbraw/zinc/48/67/68/947486768.db2.gz GMZVTXJAAGHSRW-YOEHRIQHSA-N 1 0 387.488 1.750 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573603756 947497024 /nfs/dbraw/zinc/49/70/24/947497024.db2.gz PVIHKXNSBNHPJW-CQSZACIVSA-N 1 0 382.472 1.294 20 0 GDADRO C[C@@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573605068 947523691 /nfs/dbraw/zinc/52/36/91/947523691.db2.gz UQCJJPLXCWTMHI-CYBMUJFWSA-N 1 0 390.463 1.353 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)n1cccc1 ZINC001573616513 947622956 /nfs/dbraw/zinc/62/29/56/947622956.db2.gz WWAPCMYXBKINPK-CZUORRHYSA-N 1 0 380.456 1.395 20 0 GDADRO C[C@@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573616478 947623382 /nfs/dbraw/zinc/62/33/82/947623382.db2.gz IVSQVLQWEHBMOA-CXAGYDPISA-N 1 0 385.472 1.149 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573617405 947637232 /nfs/dbraw/zinc/63/72/32/947637232.db2.gz OZOXUOXZFKCGKX-KBPBESRZSA-N 1 0 381.440 1.943 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573618454 947653521 /nfs/dbraw/zinc/65/35/21/947653521.db2.gz SDDDAIZMKUTMNV-JKSUJKDBSA-N 1 0 379.468 1.868 20 0 GDADRO C/C(=C/C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C1CC1 ZINC001573361848 947696981 /nfs/dbraw/zinc/69/69/81/947696981.db2.gz FUMPBWVLNQAWKH-QXBCROFQSA-N 1 0 382.468 1.274 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnn(C)c1 ZINC001573625974 947704280 /nfs/dbraw/zinc/70/42/80/947704280.db2.gz RBNOIQHDWWSREI-AAEUAGOBSA-N 1 0 386.485 1.156 20 0 GDADRO C/C(=C\C(=O)NC[C@@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573363329 947711824 /nfs/dbraw/zinc/71/18/24/947711824.db2.gz NJGDLBNGGFVHOE-PCLFDXGNSA-N 1 0 382.468 1.276 20 0 GDADRO Cc1c(Cl)cnc(Sc2nnc(C3CC[NH2+]CC3)n2C)c1-c1nn[nH]n1 ZINC000826241008 947714194 /nfs/dbraw/zinc/71/41/94/947714194.db2.gz OICFZZWYLIPYLW-UHFFFAOYSA-N 1 0 391.892 1.970 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001573367237 947757576 /nfs/dbraw/zinc/75/75/76/947757576.db2.gz BELIRVGCPCPXMY-SWLSCSKDSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573367409 947760033 /nfs/dbraw/zinc/76/00/33/947760033.db2.gz CVVABMYXSDLFMU-GFCCVEGCSA-N 1 0 376.436 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001573374151 947805511 /nfs/dbraw/zinc/80/55/11/947805511.db2.gz NADCVJJOKKGXJT-BLLLJJGKSA-N 1 0 385.472 1.400 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573632028 947806273 /nfs/dbraw/zinc/80/62/73/947806273.db2.gz YCXUPXSSAYRGOV-GDBMZVCRSA-N 1 0 380.456 1.405 20 0 GDADRO CC(=O)CCCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573374549 947809346 /nfs/dbraw/zinc/80/93/46/947809346.db2.gz JVKNFSDERFODFC-UHFFFAOYSA-N 1 0 388.447 1.750 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1CC[C@H](C)N(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573374638 947811368 /nfs/dbraw/zinc/81/13/68/947811368.db2.gz KOMCOMBTQJXDGG-ZFWWWQNUSA-N 1 0 385.472 1.803 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573376680 947840843 /nfs/dbraw/zinc/84/08/43/947840843.db2.gz BIMOWSLMOGOTGM-CYBMUJFWSA-N 1 0 376.486 1.768 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001573380336 947859454 /nfs/dbraw/zinc/85/94/54/947859454.db2.gz BHGFADJPZXAUPC-NNZMDNLPSA-N 1 0 382.468 1.420 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573383470 947892499 /nfs/dbraw/zinc/89/24/99/947892499.db2.gz SDSUNIOEOSGCPD-CQSZACIVSA-N 1 0 388.447 1.703 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)C(F)(F)F ZINC001573647442 947893865 /nfs/dbraw/zinc/89/38/65/947893865.db2.gz LGUKIKJOQPUPIB-GARJFASQSA-N 1 0 381.362 1.355 20 0 GDADRO Cc1ccnc(N2CC[N@H+](C[C@H](O)c3ccccc3)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826311247 947899341 /nfs/dbraw/zinc/89/93/41/947899341.db2.gz YHRQRCRJHXUUEC-RDJZCZTQSA-N 1 0 379.468 1.814 20 0 GDADRO C[C@H](C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573654705 947970426 /nfs/dbraw/zinc/97/04/26/947970426.db2.gz SWYOKSZWRAQMRA-RBZFPXEDSA-N 1 0 392.467 1.579 20 0 GDADRO Cc1nnc2n1C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826337362 947971467 /nfs/dbraw/zinc/97/14/67/947971467.db2.gz MAPRZFFUZNNCLM-INIZCTEOSA-N 1 0 390.455 1.272 20 0 GDADRO C[C@H](C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573656351 947987782 /nfs/dbraw/zinc/98/77/82/947987782.db2.gz DYZDPFAOGJYDEF-BBRMVZONSA-N 1 0 385.472 1.552 20 0 GDADRO Cc1onc(CC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1-c1nn[nH]n1 ZINC000826344572 948008892 /nfs/dbraw/zinc/00/88/92/948008892.db2.gz LKIJOMNYZQQLQE-AWEZNQCLSA-N 1 0 395.467 1.829 20 0 GDADRO Cc1onc(CC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1-c1nn[nH]n1 ZINC000826346371 948038071 /nfs/dbraw/zinc/03/80/71/948038071.db2.gz KYQIKXTXSHNQDF-HNNXBMFYSA-N 1 0 375.477 1.578 20 0 GDADRO Cc1onc(CC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826346903 948045337 /nfs/dbraw/zinc/04/53/37/948045337.db2.gz YPIRJQHONSZZOF-TXEJJXNPSA-N 1 0 375.477 1.578 20 0 GDADRO C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573664468 948056399 /nfs/dbraw/zinc/05/63/99/948056399.db2.gz VAAWDXIRASMJCJ-HPUBIQBYSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C(=O)NC1CC2(C1)CC(Nc1cc[nH+]cc1-c1nn[nH]n1)C2)C1CCC1 ZINC001573665264 948069419 /nfs/dbraw/zinc/06/94/19/948069419.db2.gz JZAQLNSEEBGONV-FDTFQXLHSA-N 1 0 381.484 1.959 20 0 GDADRO Cc1onc(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1-c1nn[nH]n1 ZINC000826349146 948091082 /nfs/dbraw/zinc/09/10/82/948091082.db2.gz WGNSGIZKZLMBSY-UHFFFAOYSA-N 1 0 399.480 1.893 20 0 GDADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCOc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826359714 948117204 /nfs/dbraw/zinc/11/72/04/948117204.db2.gz OQVBEJWGBNXGJX-WMZOPIPTSA-N 1 0 383.456 1.567 20 0 GDADRO Cn1cc(C[N@@H+]2CCC[C@@H]2Cn2cncn2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360226 948117346 /nfs/dbraw/zinc/11/73/46/948117346.db2.gz CAPNNJBDVLMISK-QGZVFWFLSA-N 1 0 390.455 1.523 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccsc1 ZINC001573677925 948144166 /nfs/dbraw/zinc/14/41/66/948144166.db2.gz BHLRMWHNNQSERM-WFASDCNBSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573679044 948158646 /nfs/dbraw/zinc/15/86/46/948158646.db2.gz HWHIYPLUONJZLL-BXUZGUMPSA-N 1 0 376.436 1.009 20 0 GDADRO CC(=O)N1CC2(CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)[C@H]2COC[C@H]21 ZINC001573427398 948165421 /nfs/dbraw/zinc/16/54/21/948165421.db2.gz XPQPLZRNUBJLJO-ZWKOTPCHSA-N 1 0 382.468 1.326 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573680373 948178649 /nfs/dbraw/zinc/17/86/49/948178649.db2.gz NMCUTSAQFQSTPA-FZMZJTMJSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573681935 948216992 /nfs/dbraw/zinc/21/69/92/948216992.db2.gz ZHHHFKATVQCXJQ-YPMHNXCESA-N 1 0 378.452 1.255 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCC1)[C@@H]1CCCO1 ZINC001573690833 948230357 /nfs/dbraw/zinc/23/03/57/948230357.db2.gz BXOVFMMEAYAULM-JSGCOSHPSA-N 1 0 390.513 1.872 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573691190 948238377 /nfs/dbraw/zinc/23/83/77/948238377.db2.gz DSTIUGKCVKXKHZ-CQSZACIVSA-N 1 0 377.452 1.804 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573692222 948258463 /nfs/dbraw/zinc/25/84/63/948258463.db2.gz NCOGECLUIKWJOY-FZMZJTMJSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)c1cccnc1 ZINC001573692844 948272108 /nfs/dbraw/zinc/27/21/08/948272108.db2.gz 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C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573695892 948311777 /nfs/dbraw/zinc/31/17/77/948311777.db2.gz YQVWZBZUYIHYNH-XHDPSFHLSA-N 1 0 376.436 1.009 20 0 GDADRO O=C1CCCN1CCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826480431 948392451 /nfs/dbraw/zinc/39/24/51/948392451.db2.gz AZRQTSRRJJGZDT-UHFFFAOYSA-N 1 0 383.500 1.433 20 0 GDADRO C[C@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573705512 948402978 /nfs/dbraw/zinc/40/29/78/948402978.db2.gz FSJWPGHHDMJXAX-XJKSGUPXSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H](CCNC(=O)[C@@H](C)c1ccccc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573718940 948520641 /nfs/dbraw/zinc/52/06/41/948520641.db2.gz VCPGZHZFSNSAHT-STQMWFEESA-N 1 0 383.431 1.933 20 0 GDADRO C[C@H](C(=O)NCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC001573721037 948537856 /nfs/dbraw/zinc/53/78/56/948537856.db2.gz VOOMKGZNRMJWGC-HNNXBMFYSA-N 1 0 383.500 1.147 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 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383.456 1.130 20 0 GDADRO C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265589 949453362 /nfs/dbraw/zinc/45/33/62/949453362.db2.gz VIKVNTXPOCYPRF-PBHICJAKSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574706805 949462778 /nfs/dbraw/zinc/46/27/78/949462778.db2.gz MWCKUFPTMOADMH-WBMJQRKESA-N 1 0 376.436 1.511 20 0 GDADRO CC(C)(C)C(=O)NCCC(=O)NCCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573803988 949463452 /nfs/dbraw/zinc/46/34/52/949463452.db2.gz ZGKFGVIFXHTHDX-UHFFFAOYSA-N 1 0 387.488 1.015 20 0 GDADRO C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574948958 949476807 /nfs/dbraw/zinc/47/68/07/949476807.db2.gz OOXZHCZHDRTEMG-CYBMUJFWSA-N 1 0 380.456 1.235 20 0 GDADRO CC1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOCC1 ZINC001575537178 949488895 /nfs/dbraw/zinc/48/88/95/949488895.db2.gz SQOJBNSVJSRRRX-HNNXBMFYSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](NC(=O)C[C@H]1CCCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575267970 949509915 /nfs/dbraw/zinc/50/99/15/949509915.db2.gz KVCJEXWPIRFVFZ-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)CC[NH+](C)C ZINC001576159004 949509818 /nfs/dbraw/zinc/50/98/18/949509818.db2.gz VRZRLFAIPCUAPE-FZKQIMNGSA-N 1 0 387.492 1.085 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575871840 949519199 /nfs/dbraw/zinc/51/91/99/949519199.db2.gz CJWPWTMMZUSEKD-CJNGLKHVSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@H]1[C@H](NC(=O)CC(C)(C)O)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575871857 949526252 /nfs/dbraw/zinc/52/62/52/949526252.db2.gz CNTPTQWXBKDAHS-MLGOLLRUSA-N 1 0 390.463 1.636 20 0 GDADRO CC(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCCO1 ZINC001574122626 949531533 /nfs/dbraw/zinc/53/15/33/949531533.db2.gz ZCFQAUBGNKAACN-CYBMUJFWSA-N 1 0 378.502 1.681 20 0 GDADRO CC1(C(=O)N2CCC[C@@](CO)([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CC1 ZINC001575538843 949531666 /nfs/dbraw/zinc/53/16/66/949531666.db2.gz JTQAXTGRPKLLHD-LJQANCHMSA-N 1 0 388.447 1.249 20 0 GDADRO CC1(C(=O)N2CCC[C@](CO)([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CC1 ZINC001575538842 949532616 /nfs/dbraw/zinc/53/26/16/949532616.db2.gz JTQAXTGRPKLLHD-IBGZPJMESA-N 1 0 388.447 1.249 20 0 GDADRO CC(C)[C@H](C(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nn[nH]n2)s1)[NH+](C)C ZINC001574950428 949538538 /nfs/dbraw/zinc/53/85/38/949538538.db2.gz OMPQLJLAFYHIHY-DTWKUNHWSA-N 1 0 386.913 1.479 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574711848 949561620 /nfs/dbraw/zinc/56/16/20/949561620.db2.gz NEIWXMKYJGDWBG-LIRRHRJNSA-N 1 0 392.463 1.807 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574712251 949574505 /nfs/dbraw/zinc/57/45/05/949574505.db2.gz RDZDEBCQMKEFCU-DTWKUNHWSA-N 1 0 384.897 1.187 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574712252 949575143 /nfs/dbraw/zinc/57/51/43/949575143.db2.gz RDZDEBCQMKEFCU-IUCAKERBSA-N 1 0 384.897 1.187 20 0 GDADRO CC1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCOCC1 ZINC001575545242 949596878 /nfs/dbraw/zinc/59/68/78/949596878.db2.gz JJDCJVJJSFQYLY-MRXNPFEDSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001574476293 949597353 /nfs/dbraw/zinc/59/73/53/949597353.db2.gz FWDWEWGCKSDILS-BLLLJJGKSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576167201 949603660 /nfs/dbraw/zinc/60/36/60/949603660.db2.gz PIZMBRTWJKFYNI-DYVFJYSZSA-N 1 0 385.472 1.149 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@H]1CCOC1 ZINC001573812390 949618447 /nfs/dbraw/zinc/61/84/47/949618447.db2.gz RGKPIZTVWFWHRV-NVXWUHKLSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@]1(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCOC1 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ZINC001573830180 949971537 /nfs/dbraw/zinc/97/15/37/949971537.db2.gz HXBVMVCBYLRFCB-FQEVSTJZSA-N 1 0 386.500 1.746 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@]1(C)CCOC1 ZINC001574150676 950038609 /nfs/dbraw/zinc/03/86/09/950038609.db2.gz DGEWQICRNNGROI-PXNSSMCTSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)C[C@@H](O)c1ccccc1F ZINC001574975672 950040115 /nfs/dbraw/zinc/04/01/15/950040115.db2.gz YDMBQUYDEHVISG-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@@H]1CCOC1 ZINC001574150885 950047207 /nfs/dbraw/zinc/04/72/07/950047207.db2.gz GGAUUUAOELZWMX-FUHWJXTLSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576182381 950052853 /nfs/dbraw/zinc/05/28/53/950052853.db2.gz OHCOSFZFAZOVPE-CXAGYDPISA-N 1 0 378.440 1.431 20 0 GDADRO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1ccnc1 ZINC001574492054 950054896 /nfs/dbraw/zinc/05/48/96/950054896.db2.gz IRGCRHAOERKZRB-PBHICJAKSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574732265 950069156 /nfs/dbraw/zinc/06/91/56/950069156.db2.gz IBHFKZNURGXHII-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO CC(C)C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574151434 950076230 /nfs/dbraw/zinc/07/62/30/950076230.db2.gz RCFWTCPBAASNHI-CYBMUJFWSA-N 1 0 381.431 1.974 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnco1 ZINC001574151491 950079852 /nfs/dbraw/zinc/07/98/52/950079852.db2.gz SYCQSWVBDBXDPA-CQSZACIVSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)C1CCCCC1 ZINC001574492390 950081205 /nfs/dbraw/zinc/08/12/05/950081205.db2.gz ANXVZSGXBNZHMG-DZGCQCFKSA-N 1 0 387.488 1.179 20 0 GDADRO C[C@@]1(C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CCCC2)CCOC1 ZINC001575577508 950086214 /nfs/dbraw/zinc/08/62/14/950086214.db2.gz VYXNAYXNTSHAMO-LJQANCHMSA-N 1 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CC1(C(=O)NC[C@]2(O)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CCCC1 ZINC001575582305 950110751 /nfs/dbraw/zinc/11/07/51/950110751.db2.gz IMIRLTNKJLRQPZ-HXUWFJFHSA-N 1 0 384.484 1.500 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cncn1C ZINC001574152618 950111864 /nfs/dbraw/zinc/11/18/64/950111864.db2.gz HLCWCGHQBZIXPT-MRXNPFEDSA-N 1 0 382.472 1.535 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cccnn1 ZINC001574152883 950122056 /nfs/dbraw/zinc/12/20/56/950122056.db2.gz LFZNPYOZZNPVEO-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)CC(=O)NCC[NH+]1CCC(Nc2nccnc2-c2nn[nH]n2)CC1 ZINC001573839144 950124665 /nfs/dbraw/zinc/12/46/65/950124665.db2.gz MCBYODBWKRXJON-UHFFFAOYSA-N 1 0 387.492 1.085 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2cnn(C)c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575896811 950134793 /nfs/dbraw/zinc/13/47/93/950134793.db2.gz NRXGOMSWJKCJNC-FZMZJTMJSA-N 1 0 386.485 1.445 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576185021 950150475 /nfs/dbraw/zinc/15/04/75/950150475.db2.gz YSXFPGMIXYVILX-RISCZKNCSA-N 1 0 387.469 1.947 20 0 GDADRO C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC001574494270 950160217 /nfs/dbraw/zinc/16/02/17/950160217.db2.gz JNCOMBZCMIGJSA-RKDXNWHRSA-N 1 0 392.407 1.083 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1)c1ccncc1 ZINC001574494661 950173805 /nfs/dbraw/zinc/17/38/05/950173805.db2.gz MLHFMHOQRRRXTE-KBPBESRZSA-N 1 0 380.456 1.791 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC001575585183 950189560 /nfs/dbraw/zinc/18/95/60/950189560.db2.gz XCUZWLUZHXADOQ-PXNSSMCTSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)CC(C)(C)C ZINC001574496541 950215534 /nfs/dbraw/zinc/21/55/34/950215534.db2.gz XFTKLAREMYZWBM-RHSMWYFYSA-N 1 0 388.516 1.896 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001574983461 950217178 /nfs/dbraw/zinc/21/71/78/950217178.db2.gz OHBRVGHBIQRVCN-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO CC(C)(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nn[nH]n3)[nH]1)O2 ZINC001573845172 950218691 /nfs/dbraw/zinc/21/86/91/950218691.db2.gz UATNNLFDOXOSRL-CYBMUJFWSA-N 1 0 387.488 1.594 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576191963 950218921 /nfs/dbraw/zinc/21/89/21/950218921.db2.gz KWONYIUZUSGEIO-RHSMWYFYSA-N 1 0 392.467 1.545 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ncccn2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576192182 950227144 /nfs/dbraw/zinc/22/71/44/950227144.db2.gz KHHUYOJJQGZFES-ZBFHGGJFSA-N 1 0 392.467 1.545 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574741097 950232204 /nfs/dbraw/zinc/23/22/04/950232204.db2.gz GOLFUJYRKORBBT-IHRRRGAJSA-N 1 0 389.479 1.995 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]nc1C1CC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574983692 950232927 /nfs/dbraw/zinc/23/29/27/950232927.db2.gz ROYIDWSAXGJXCI-GFCCVEGCSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)COCC1CC1 ZINC001575901830 950243742 /nfs/dbraw/zinc/24/37/42/950243742.db2.gz QLRWPEFOVUOQPJ-PXAZEXFGSA-N 1 0 388.447 1.511 20 0 GDADRO CC1(C(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CCOCC1 ZINC001575588806 950257791 /nfs/dbraw/zinc/25/77/91/950257791.db2.gz TUSRUYRXDYOAHU-UHFFFAOYSA-N 1 0 385.472 1.411 20 0 GDADRO CC1CC[NH+](CC(=O)N(C)C2CC(Nc3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001576192683 950262417 /nfs/dbraw/zinc/26/24/17/950262417.db2.gz OXHXIGRPLULXCX-UHFFFAOYSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C[NH2+]Cc1nccs1 ZINC001576192727 950263430 /nfs/dbraw/zinc/26/34/30/950263430.db2.gz QINVINKEMOERAM-YPMHNXCESA-N 1 0 386.485 1.539 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cc1cncs1 ZINC001574158132 950271728 /nfs/dbraw/zinc/27/17/28/950271728.db2.gz ONNJXIKGVSCCIN-GFCCVEGCSA-N 1 0 386.485 1.326 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1 ZINC001574498369 950272343 /nfs/dbraw/zinc/27/23/43/950272343.db2.gz MUBOVDMYLDVBOF-XHDPSFHLSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccns1 ZINC001575903310 950276450 /nfs/dbraw/zinc/27/64/50/950276450.db2.gz ZRDASXORUKFZLG-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H](CC(=O)NC[C@@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001574498860 950290344 /nfs/dbraw/zinc/29/03/44/950290344.db2.gz QLNIPQHWNMMUOB-XOBRGWDASA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)COCC(F)F ZINC001575906029 950302442 /nfs/dbraw/zinc/30/24/42/950302442.db2.gz GBXPVCSXMRAVOB-GXSJLCMTSA-N 1 0 386.428 1.289 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccnnc1 ZINC001575906028 950304283 /nfs/dbraw/zinc/30/42/83/950304283.db2.gz GAOXRHXLVSXENV-ZBEGNZNMSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@]1(C(=O)NCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)CCCOC1 ZINC001575593261 950309341 /nfs/dbraw/zinc/30/93/41/950309341.db2.gz NEKNVMWKRGCRGX-FQEVSTJZSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574159719 950315509 /nfs/dbraw/zinc/31/55/09/950315509.db2.gz YHDKURXZDNRAID-CZUORRHYSA-N 1 0 389.508 1.186 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1ccoc1 ZINC001575906601 950315697 /nfs/dbraw/zinc/31/56/97/950315697.db2.gz JPDNPYAMUCGLLQ-SJKOYZFVSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1ccon1 ZINC001575906868 950320978 /nfs/dbraw/zinc/32/09/78/950320978.db2.gz KHKYUVLKVOGCEI-MEDUHNTESA-N 1 0 385.403 1.316 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576194259 950332632 /nfs/dbraw/zinc/33/26/32/950332632.db2.gz YLDDPTRHGLUPER-CZUORRHYSA-N 1 0 380.456 1.478 20 0 GDADRO CC1(C(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575594561 950336512 /nfs/dbraw/zinc/33/65/12/950336512.db2.gz KTSZLYXOALQPCE-UHFFFAOYSA-N 1 0 376.411 1.850 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccns1 ZINC001575907752 950341633 /nfs/dbraw/zinc/34/16/33/950341633.db2.gz QCUTYXLGWQKGNE-HZMBPMFUSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001576194377 950343317 /nfs/dbraw/zinc/34/33/17/950343317.db2.gz ZPVYIBWSWZQXQG-XJKSGUPXSA-N 1 0 387.488 1.309 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccn(C)n1 ZINC001575908025 950349539 /nfs/dbraw/zinc/34/95/39/950349539.db2.gz SSYDUOXZQMATCS-IAQYHMDHSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCc1ccon1 ZINC001575908244 950356213 /nfs/dbraw/zinc/35/62/13/950356213.db2.gz SYVFOHKYPXRNKE-BXUZGUMPSA-N 1 0 387.469 1.628 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001575908758 950378943 /nfs/dbraw/zinc/37/89/43/950378943.db2.gz DSODVUCFIPRKHW-ZWNOBZJWSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nn[nH]n4)nc3)C(C)(C)C2)C1 ZINC001576197256 950384978 /nfs/dbraw/zinc/38/49/78/950384978.db2.gz MEMFNXAPYAOYIG-CJNGLKHVSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccncc1 ZINC001575909376 950394462 /nfs/dbraw/zinc/39/44/62/950394462.db2.gz ZFGOCCUWCFLXTG-DNVCBOLYSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575597286 950407074 /nfs/dbraw/zinc/40/70/74/950407074.db2.gz OAEAUIWLUARFDZ-BIENJYKASA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccccc1O ZINC001575909879 950408411 /nfs/dbraw/zinc/40/84/11/950408411.db2.gz ITENSGSMLATVTG-DYVFJYSZSA-N 1 0 378.436 1.965 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccccc1O ZINC001575909880 950410335 /nfs/dbraw/zinc/41/03/35/950410335.db2.gz ITENSGSMLATVTG-GUYCJALGSA-N 1 0 378.436 1.965 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(F)c[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574750479 950427263 /nfs/dbraw/zinc/42/72/63/950427263.db2.gz AYOYWNPZQGZYMH-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO CC(C)(C)OC(=O)NCC[N@H+](CCO)CCOc1ccccc1-c1nn[nH]n1 ZINC001573861270 950447006 /nfs/dbraw/zinc/44/70/06/950447006.db2.gz WCWCNEJUVYFCFF-UHFFFAOYSA-N 1 0 392.460 1.065 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575911593 950447230 /nfs/dbraw/zinc/44/72/30/950447230.db2.gz OIPRKODNBHQIOC-MLGOLLRUSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574507405 950453137 /nfs/dbraw/zinc/45/31/37/950453137.db2.gz IFTCLGTWZDEDCU-WVZRYYJFSA-N 1 0 385.472 1.196 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(F)c[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574751924 950468890 /nfs/dbraw/zinc/46/88/90/950468890.db2.gz RKTUKDDTZSBIDL-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cncc(F)c1 ZINC001575912986 950472133 /nfs/dbraw/zinc/47/21/33/950472133.db2.gz SKEVERIZPNWQPR-SJCJKPOMSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H](CC(=O)NCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574508662 950481601 /nfs/dbraw/zinc/48/16/01/950481601.db2.gz LJBVIBZQWCPYNT-LBPRGKRZSA-N 1 0 386.435 1.139 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCN2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205001 950487128 /nfs/dbraw/zinc/48/71/28/950487128.db2.gz FOCASKUGNJYUIJ-DZGCQCFKSA-N 1 0 387.463 1.038 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@@H]2CCN2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001576205070 950490053 /nfs/dbraw/zinc/49/00/53/950490053.db2.gz GNDKVAJRQSGWJV-SFHVURJKSA-N 1 0 383.500 1.289 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CCN(c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576205132 950497883 /nfs/dbraw/zinc/49/78/83/950497883.db2.gz VCTCEHXFHMRGSM-DJJJIMSYSA-N 1 0 387.463 1.433 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573866744 950511540 /nfs/dbraw/zinc/51/15/40/950511540.db2.gz KUSVOKBNPURHHC-AWEZNQCLSA-N 1 0 390.463 1.902 20 0 GDADRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOCC1 ZINC001575608668 950515616 /nfs/dbraw/zinc/51/56/16/950515616.db2.gz QFWHJZFFEMAERD-HAQNSBGRSA-N 1 0 376.486 1.482 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(F)cn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574753520 950526153 /nfs/dbraw/zinc/52/61/53/950526153.db2.gz OJLXWIDBMKPKOD-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN2c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001576205893 950545881 /nfs/dbraw/zinc/54/58/81/950545881.db2.gz QZLQFCQJUQYOFG-KBPBESRZSA-N 1 0 387.463 1.433 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001573868626 950548070 /nfs/dbraw/zinc/54/80/70/950548070.db2.gz FJLNJUYRKJYVBW-OAHLLOKOSA-N 1 0 387.488 1.798 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCN2C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574754107 950557898 /nfs/dbraw/zinc/55/78/98/950557898.db2.gz XYSXXMFEFWVEQZ-ZDUSSCGKSA-N 1 0 392.467 1.249 20 0 GDADRO CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575615554 950567731 /nfs/dbraw/zinc/56/77/31/950567731.db2.gz AMTBYIDWGMJVMZ-NSHDSACASA-N 1 0 392.529 1.567 20 0 GDADRO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(-c2nn[nH]n2)nc1 ZINC001576208028 950606839 /nfs/dbraw/zinc/60/68/39/950606839.db2.gz LFQKUDQNRJINGG-HNNXBMFYSA-N 1 0 386.504 1.325 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001573871031 950607711 /nfs/dbraw/zinc/60/77/11/950607711.db2.gz LWOPJNCVFVRIGP-OSYLJGHBSA-N 1 0 384.484 1.476 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575000534 950608243 /nfs/dbraw/zinc/60/82/43/950608243.db2.gz FFHFWURAFPTBLM-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H]1[C@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575919600 950613618 /nfs/dbraw/zinc/61/36/18/950613618.db2.gz IEMAIFMRVFPPDI-GXTWGEPZSA-N 1 0 387.463 1.749 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575000726 950614262 /nfs/dbraw/zinc/61/42/62/950614262.db2.gz RXVQDYBPAKJTQY-NSHDSACASA-N 1 0 381.444 1.127 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@@H](C)n1cccn1 ZINC001574513802 950619985 /nfs/dbraw/zinc/61/99/85/950619985.db2.gz ZZRBTQZFWNAXEZ-CHWSQXEVSA-N 1 0 386.435 1.448 20 0 GDADRO CC1CC[NH+](CC(=O)NCCN(C)c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC001576208985 950620805 /nfs/dbraw/zinc/62/08/05/950620805.db2.gz XLEPTRAXIYHQKP-UHFFFAOYSA-N 1 0 392.895 1.199 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574758958 950622796 /nfs/dbraw/zinc/62/27/96/950622796.db2.gz IJJZTPBOUANLPR-JTQLQIEISA-N 1 0 388.382 1.589 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573873050 950635700 /nfs/dbraw/zinc/63/57/00/950635700.db2.gz DIOJNPUIXJJYTM-NNUKFRKNSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575001570 950637418 /nfs/dbraw/zinc/63/74/18/950637418.db2.gz VUBGIBGNWIIEBJ-JTQLQIEISA-N 1 0 386.485 1.447 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)no1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575001891 950643994 /nfs/dbraw/zinc/64/39/94/950643994.db2.gz OFGSEALJUXXXSZ-SNVBAGLBSA-N 1 0 375.820 1.758 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@H](C(=O)[O-])CC[C@@H]3C)cc2)CC1 ZINC001589744241 950645242 /nfs/dbraw/zinc/64/52/42/950645242.db2.gz JHBKPZIJVHMSLM-DLBZAZTESA-N 1 0 388.512 1.952 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573873645 950652973 /nfs/dbraw/zinc/65/29/73/950652973.db2.gz WJXYEPUSWUCWQM-HDJSIYSDSA-N 1 0 376.436 1.558 20 0 GDADRO C[C@@H](CNC(=O)c1cc(F)c[nH]1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575002812 950668895 /nfs/dbraw/zinc/66/88/95/950668895.db2.gz XFPHWUJUWAYCSV-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)no1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575002792 950669253 /nfs/dbraw/zinc/66/92/53/950669253.db2.gz WZCMITWFDIYLMN-SNVBAGLBSA-N 1 0 375.820 1.758 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575924960 950675126 /nfs/dbraw/zinc/67/51/26/950675126.db2.gz GDUYMOCZAYGOJZ-WBMJQRKESA-N 1 0 391.435 1.334 20 0 GDADRO C[C@H](CN(C)C(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574761028 950691728 /nfs/dbraw/zinc/69/17/28/950691728.db2.gz QJUAXMTWHRSNEW-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574762216 950703049 /nfs/dbraw/zinc/70/30/49/950703049.db2.gz XJTWOMCMIOYZJD-LBPRGKRZSA-N 1 0 381.444 1.178 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573878365 950706359 /nfs/dbraw/zinc/70/63/59/950706359.db2.gz NWRIAYDMRABNMX-BPLDGKMQSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccc(N(C)C)c1 ZINC001575926384 950708849 /nfs/dbraw/zinc/70/88/49/950708849.db2.gz JQNWEDOMAKRPJN-GUYCJALGSA-N 1 0 392.467 1.465 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573878740 950724565 /nfs/dbraw/zinc/72/45/65/950724565.db2.gz ZSKZYOLRGHDOTO-CYZMBNFOSA-N 1 0 378.502 1.177 20 0 GDADRO C[C@H](CNC(=O)c1cc2n(c1)CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575006621 950725018 /nfs/dbraw/zinc/72/50/18/950725018.db2.gz WJZXFFWDCNBSRB-GFCCVEGCSA-N 1 0 385.497 1.974 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576216607 950740793 /nfs/dbraw/zinc/74/07/93/950740793.db2.gz DYQAVWQXTNCENK-MWLCHTKSSA-N 1 0 382.440 1.910 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCn1ccnc1 ZINC001574520962 950763374 /nfs/dbraw/zinc/76/33/74/950763374.db2.gz BRFYSXCUWMFEOW-HUUCEWRRSA-N 1 0 382.472 1.526 20 0 GDADRO CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574184799 950783328 /nfs/dbraw/zinc/78/33/28/950783328.db2.gz NLWHBRCVADWLBW-CQSZACIVSA-N 1 0 375.477 1.344 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncoc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574765900 950802147 /nfs/dbraw/zinc/80/21/47/950802147.db2.gz FUTHIKNSJBLASD-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573885014 950810859 /nfs/dbraw/zinc/81/08/59/950810859.db2.gz QIBLEMSMWUGJOB-NSHDSACASA-N 1 0 381.444 1.031 20 0 GDADRO C[C@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574766580 950816770 /nfs/dbraw/zinc/81/67/70/950816770.db2.gz JPZJFDOELVUBNI-MRVPVSSYSA-N 1 0 378.343 1.182 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CC1OCCCO1 ZINC001574523600 950817935 /nfs/dbraw/zinc/81/79/35/950817935.db2.gz OJGKDZACBWIQLT-ZIAGYGMSSA-N 1 0 388.472 1.393 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1c[nH]cn1 ZINC001574523465 950819612 /nfs/dbraw/zinc/81/96/12/950819612.db2.gz NUZMFUUIWNJQSX-VXGBXAGGSA-N 1 0 386.435 1.345 20 0 GDADRO CC(C)(C)c1ocnc1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573887507 950850883 /nfs/dbraw/zinc/85/08/83/950850883.db2.gz FPNOTNBMLRWJDE-LLVKDONJSA-N 1 0 382.428 1.296 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCO[C@@](C)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575639055 950856412 /nfs/dbraw/zinc/85/64/12/950856412.db2.gz OEFSXYACOYASDO-IBGZPJMESA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cn1ccnc1 ZINC001574524468 950861164 /nfs/dbraw/zinc/86/11/64/950861164.db2.gz WVAMWPHOQJTJNL-CHWSQXEVSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CCCC1CCOCC1 ZINC001575011528 950862231 /nfs/dbraw/zinc/86/22/31/950862231.db2.gz QSPVYAYFMRVTEP-ZDUSSCGKSA-N 1 0 375.477 1.452 20 0 GDADRO CC1(C)CC(C[NH2+]C2(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCOCC2)C1 ZINC001575639358 950864731 /nfs/dbraw/zinc/86/47/31/950864731.db2.gz RQKGUVICGPDYFO-UHFFFAOYSA-N 1 0 387.488 1.500 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cncs1 ZINC001574524847 950877811 /nfs/dbraw/zinc/87/78/11/950877811.db2.gz ZSXUNLDSUHTUEA-STQMWFEESA-N 1 0 385.497 1.939 20 0 GDADRO C[C@@H](C[N@H+](C)C[C@H](O)c1ccccc1F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767993 950880726 /nfs/dbraw/zinc/88/07/26/950880726.db2.gz SGVOPPNLJPEQIB-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cn(C)cn1 ZINC001574527601 950896005 /nfs/dbraw/zinc/89/60/05/950896005.db2.gz DURZXXSWTHWLLL-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnns1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574527907 950914611 /nfs/dbraw/zinc/91/46/11/950914611.db2.gz IKJASMPFJCUPJB-ZJUUUORDSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ncccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574528040 950922585 /nfs/dbraw/zinc/92/25/85/950922585.db2.gz KCVIDZKJMUDIDN-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574772030 950951579 /nfs/dbraw/zinc/95/15/79/950951579.db2.gz OSCORBPXMYMLRD-DJJJIMSYSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnns1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574529972 950963821 /nfs/dbraw/zinc/96/38/21/950963821.db2.gz RXWOBQUKSQTPNJ-ZJUUUORDSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576229421 950968149 /nfs/dbraw/zinc/96/81/49/950968149.db2.gz MMFISWLMNCIEOJ-DZGCQCFKSA-N 1 0 384.488 1.110 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001575017273 950987746 /nfs/dbraw/zinc/98/77/46/950987746.db2.gz JJKSOXAICTYXHL-UWVGGRQHSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc2n(n1)CCC2 ZINC001574530682 950991651 /nfs/dbraw/zinc/99/16/51/950991651.db2.gz DIXYKPNTSZYEME-NEPJUHHUSA-N 1 0 383.460 1.024 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnn(C)c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574530738 950996117 /nfs/dbraw/zinc/99/61/17/950996117.db2.gz WMBOGKJIUZRWAW-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)CCO1 ZINC001575938969 950998164 /nfs/dbraw/zinc/99/81/64/950998164.db2.gz NVZGDZGSIVJLBB-ZFWWWQNUSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cccc(F)c1Cl ZINC001575018423 951021599 /nfs/dbraw/zinc/02/15/99/951021599.db2.gz QBTHXCOOMZGDSV-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001575025321 951131518 /nfs/dbraw/zinc/13/15/18/951131518.db2.gz YAAHJCYIZLRCOI-GFCCVEGCSA-N 1 0 382.428 1.096 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1OCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575027321 951154739 /nfs/dbraw/zinc/15/47/39/951154739.db2.gz DZDGWBMSUJBZSW-CYBMUJFWSA-N 1 0 378.436 1.710 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575029735 951189703 /nfs/dbraw/zinc/18/97/03/951189703.db2.gz XCUVYVLJGURMKN-NWDGAFQWSA-N 1 0 379.424 1.237 20 0 GDADRO C[C@H](CNC(=O)c1cccnc1N(C)C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575032101 951215140 /nfs/dbraw/zinc/21/51/40/951215140.db2.gz QPBXTBWWJCFMMK-CYBMUJFWSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@H](CNC(=O)c1ccns1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575035007 951264046 /nfs/dbraw/zinc/26/40/46/951264046.db2.gz SAJOQAVJMRFBHD-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575035450 951273223 /nfs/dbraw/zinc/27/32/23/951273223.db2.gz IMYCTSPWUVRHGI-LBPRGKRZSA-N 1 0 378.440 1.789 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)n1 ZINC001575035844 951286246 /nfs/dbraw/zinc/28/62/46/951286246.db2.gz MTAFHNLHCXTHRN-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)n1 ZINC001575036646 951298216 /nfs/dbraw/zinc/29/82/16/951298216.db2.gz UYSIBPHGOCGFGN-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575043093 951380731 /nfs/dbraw/zinc/38/07/31/951380731.db2.gz OTGBXCXUKBPQTR-VIFPVBQESA-N 1 0 391.386 1.188 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2[nH]ccc2c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044221 951411697 /nfs/dbraw/zinc/41/16/97/951411697.db2.gz QCZNBQJYRMUFPU-NSHDSACASA-N 1 0 377.412 1.344 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575045038 951423387 /nfs/dbraw/zinc/42/33/87/951423387.db2.gz ZICWDERYYFURGI-CYBMUJFWSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(F)F)c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575052505 951467014 /nfs/dbraw/zinc/46/70/14/951467014.db2.gz KOCWJHFWSGAXNZ-LLVKDONJSA-N 1 0 390.398 1.709 20 0 GDADRO C[C@H](CNC(=O)c1coc(C2CC2)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575056171 951518757 /nfs/dbraw/zinc/51/87/57/951518757.db2.gz GFCKPAGXGQNFRN-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1coc(Br)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056973 951524636 /nfs/dbraw/zinc/52/46/36/951524636.db2.gz NKFGIUOGGGVLQJ-QMMMGPOBSA-N 1 0 392.217 1.270 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575060988 951555623 /nfs/dbraw/zinc/55/56/23/951555623.db2.gz KQIJUYZFLAPMOX-SNVBAGLBSA-N 1 0 386.485 1.390 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575062458 951568410 /nfs/dbraw/zinc/56/84/10/951568410.db2.gz WHIAJIFOYXQKDJ-GFCCVEGCSA-N 1 0 380.456 1.377 20 0 GDADRO C[C@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575065257 951582028 /nfs/dbraw/zinc/58/20/28/951582028.db2.gz ASASJHYZINBYMC-LLVKDONJSA-N 1 0 384.444 1.802 20 0 GDADRO C[C@@H](CNC(=O)c1scnc1Cl)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575071332 951658474 /nfs/dbraw/zinc/65/84/74/951658474.db2.gz ZSSUCYQIYLIHQR-VIFPVBQESA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1nccs1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077189 951663833 /nfs/dbraw/zinc/66/38/33/951663833.db2.gz AAMBAXNMDHMHIR-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1CC(F)(F)C1 ZINC001575077446 951669868 /nfs/dbraw/zinc/66/98/68/951669868.db2.gz DEJYBNABDKXENZ-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1cncs1 ZINC001575077556 951671547 /nfs/dbraw/zinc/67/15/47/951671547.db2.gz GRIVAIQWNCIEEW-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575077784 951674464 /nfs/dbraw/zinc/67/44/64/951674464.db2.gz HOCJTXYFVQSWKB-BLVKFPJESA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078792 951684334 /nfs/dbraw/zinc/68/43/34/951684334.db2.gz ABGHGGNZCVTQRG-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)c1cocn1)C1CC1 ZINC001575078864 951684705 /nfs/dbraw/zinc/68/47/05/951684705.db2.gz NQCLTOWXNJUHAA-GOSISDBHSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079412 951690436 /nfs/dbraw/zinc/69/04/36/951690436.db2.gz DPVXFZUEJRYNBI-MLGOLLRUSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575079349 951690664 /nfs/dbraw/zinc/69/06/64/951690664.db2.gz DBFWNAHFOHIKLD-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575079721 951696028 /nfs/dbraw/zinc/69/60/28/951696028.db2.gz FZTUAQBBVVUXDX-CZUORRHYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H](O)C1CCCCC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575080186 951705858 /nfs/dbraw/zinc/70/58/58/951705858.db2.gz PKBCBMCTYCUZRK-BLLLJJGKSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080829 951716087 /nfs/dbraw/zinc/71/60/87/951716087.db2.gz ZSOHSSCQAWWGFX-CHWSQXEVSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081975 951728639 /nfs/dbraw/zinc/72/86/39/951728639.db2.gz WWIAOHVXSCUPSZ-KBPBESRZSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082054 951731738 /nfs/dbraw/zinc/73/17/38/951731738.db2.gz URAZUNMWEFWJSP-ICCXJUOJSA-N 1 0 382.390 1.749 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C1=COCCC1)C1CC1 ZINC001575088696 951741473 /nfs/dbraw/zinc/74/14/73/951741473.db2.gz AVTHGVXUJMEJOM-SFHVURJKSA-N 1 0 388.497 1.997 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cc(F)c[nH]1 ZINC001575089135 951745639 /nfs/dbraw/zinc/74/56/39/951745639.db2.gz DVKUJQXYGULYFE-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575089877 951754540 /nfs/dbraw/zinc/75/45/40/951754540.db2.gz IEIMNFPDXDKNEN-BUXKBTBVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575089880 951755361 /nfs/dbraw/zinc/75/53/61/951755361.db2.gz IEIMNFPDXDKNEN-HXPMCKFVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCc2cccnc21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090585 951762486 /nfs/dbraw/zinc/76/24/86/951762486.db2.gz KRSZNQDEOUTKLD-KSSFIOAISA-N 1 0 391.479 1.834 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575090735 951763348 /nfs/dbraw/zinc/76/33/48/951763348.db2.gz LNYQMTDOXOKUFL-APPDUMDISA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1(C(F)F)CC1 ZINC001575090925 951764743 /nfs/dbraw/zinc/76/47/43/951764743.db2.gz OCBCDGZRFAHRPZ-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090931 951765217 /nfs/dbraw/zinc/76/52/17/951765217.db2.gz OGFDJIBZLKBZKP-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)c1cccnn1)C1CC1 ZINC001575090935 951765598 /nfs/dbraw/zinc/76/55/98/951765598.db2.gz OLRDPRWTUXVAGG-KRWDZBQOSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1ncccn1)C1CC1 ZINC001575091089 951769039 /nfs/dbraw/zinc/76/90/39/951769039.db2.gz NVCWIGUWOHITAV-IBGZPJMESA-N 1 0 378.440 1.345 20 0 GDADRO CC(C)n1cnc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001575093324 951799185 /nfs/dbraw/zinc/79/91/85/951799185.db2.gz HYTJVEYAUAOAMI-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1c[nH]nc1C1CC1 ZINC001575094192 951801826 /nfs/dbraw/zinc/80/18/26/951801826.db2.gz LPDPEEGYBVSKLA-LBPRGKRZSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575093853 951802095 /nfs/dbraw/zinc/80/20/95/951802095.db2.gz LEXSCFSBOXHMRO-KDOFPFPSSA-N 1 0 392.463 1.979 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCCn1ccnc1 ZINC001575094374 951803684 /nfs/dbraw/zinc/80/36/84/951803684.db2.gz NFJJTMISVAPRHV-OAHLLOKOSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2ccccn21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094424 951805089 /nfs/dbraw/zinc/80/50/89/951805089.db2.gz NIGZSPMYVOFCLA-CQSZACIVSA-N 1 0 390.451 1.670 20 0 GDADRO C[C@H](CNC(=O)c1cnoc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095071 951808263 /nfs/dbraw/zinc/80/82/63/951808263.db2.gz QTJXWQVZMSQSIC-LBPRGKRZSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575095531 951813427 /nfs/dbraw/zinc/81/34/27/951813427.db2.gz VFHGYDWUETXSOR-KDOFPFPSSA-N 1 0 391.479 1.928 20 0 GDADRO C[C@@H](CNC(=O)C[C@H](C)n1cccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099008 951828355 /nfs/dbraw/zinc/82/83/55/951828355.db2.gz HBFNPSSDBJQNIT-OLZOCXBDSA-N 1 0 388.501 1.618 20 0 GDADRO C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099432 951835139 /nfs/dbraw/zinc/83/51/39/951835139.db2.gz LWPHZUVCRCVJBV-DWQUBVKVSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1cccnc1 ZINC001575099909 951841399 /nfs/dbraw/zinc/84/13/99/951841399.db2.gz QCSTWXWNFLUHTO-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](CNC(=O)c1cncs1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102049 951866725 /nfs/dbraw/zinc/86/67/25/951866725.db2.gz LEXXMRFOAUCEQF-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](CNC(=O)c1csnn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102656 951870155 /nfs/dbraw/zinc/87/01/55/951870155.db2.gz NUZZRZSMLSUEKE-VIFPVBQESA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103022 951871413 /nfs/dbraw/zinc/87/14/13/951871413.db2.gz QZARSQQXAMPLRM-OCCSQVGLSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cncc(F)c1 ZINC001575103058 951873213 /nfs/dbraw/zinc/87/32/13/951873213.db2.gz RNUOXSQNECCTDH-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO CC(C)SCC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103114 951874453 /nfs/dbraw/zinc/87/44/53/951874453.db2.gz RZSBKTFMUXNXNX-LBPRGKRZSA-N 1 0 380.493 1.989 20 0 GDADRO C[C@H](CNC(=O)CCn1cccc1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103356 951875504 /nfs/dbraw/zinc/87/55/04/951875504.db2.gz SPGPSXUDWNHOMF-AWEZNQCLSA-N 1 0 385.447 1.740 20 0 GDADRO C[C@H](CNC(=O)c1cscn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103796 951877446 /nfs/dbraw/zinc/87/74/46/951877446.db2.gz WFGWNXREOCVBRY-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CC1CCOCC1 ZINC001575105801 951897840 /nfs/dbraw/zinc/89/78/40/951897840.db2.gz NPKGZHKTMYQKEO-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)CCc1ncccn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105663 951898535 /nfs/dbraw/zinc/89/85/35/951898535.db2.gz MGQGXGLCOIJEFJ-CQSZACIVSA-N 1 0 380.456 1.131 20 0 GDADRO CC(C)n1cc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001575107149 951912915 /nfs/dbraw/zinc/91/29/15/951912915.db2.gz ABKSCVDNCADLPN-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575107093 951913824 /nfs/dbraw/zinc/91/38/24/951913824.db2.gz YPIJJLUZUZJEEM-WMLDXEAASA-N 1 0 376.411 1.896 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1cnccn1 ZINC001575107236 951917392 /nfs/dbraw/zinc/91/73/92/951917392.db2.gz BRUFFSWCWHAKOG-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001575107603 951918946 /nfs/dbraw/zinc/91/89/46/951918946.db2.gz GINPJRBNISHKPA-RHSMWYFYSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1ccnc1 ZINC001575109751 951933850 /nfs/dbraw/zinc/93/38/50/951933850.db2.gz UWEHQLZXSDEFCJ-CABCVRRESA-N 1 0 382.472 1.651 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114496 951956443 /nfs/dbraw/zinc/95/64/43/951956443.db2.gz PSRMLQAMDXJMLV-MDASCCDHSA-N 1 0 391.479 1.907 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)c1ccncn1)C1CC1 ZINC001575114579 951958873 /nfs/dbraw/zinc/95/88/73/951958873.db2.gz QKHZCGRKFKTHPE-IBGZPJMESA-N 1 0 378.440 1.345 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575144823 952171798 /nfs/dbraw/zinc/17/17/98/952171798.db2.gz MLIQEVLPOVMFRK-CYBMUJFWSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575145132 952178385 /nfs/dbraw/zinc/17/83/85/952178385.db2.gz QUSQSORTNSWZSP-XJKSGUPXSA-N 1 0 383.431 1.523 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575146396 952193886 /nfs/dbraw/zinc/19/38/86/952193886.db2.gz KBGQLRAZFIRHSY-JTQLQIEISA-N 1 0 384.469 1.590 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575146643 952195665 /nfs/dbraw/zinc/19/56/65/952195665.db2.gz MPWHJOVFCPDSAN-WFASDCNBSA-N 1 0 379.424 1.119 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575147114 952199000 /nfs/dbraw/zinc/19/90/00/952199000.db2.gz QIBICWRWJZBVDZ-CYBMUJFWSA-N 1 0 380.456 1.322 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575197647 952485867 /nfs/dbraw/zinc/48/58/67/952485867.db2.gz YIMVXIWGGQTHEH-AWEZNQCLSA-N 1 0 380.452 1.887 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001575199715 952489827 /nfs/dbraw/zinc/48/98/27/952489827.db2.gz DZDHUJRAZNVHKI-NSHDSACASA-N 1 0 386.485 1.269 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575202645 952514723 /nfs/dbraw/zinc/51/47/23/952514723.db2.gz WXXRNLMAKLCMNV-KBPBESRZSA-N 1 0 382.472 1.405 20 0 GDADRO CO[C@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571122225 952523341 /nfs/dbraw/zinc/52/33/41/952523341.db2.gz HEMNOIMYTWLWFJ-TZMCWYRMSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001571122802 952526812 /nfs/dbraw/zinc/52/68/12/952526812.db2.gz LLJPYMWOJKXZGG-FRWLMAKKSA-N 1 0 376.848 1.550 20 0 GDADRO C[C@H](Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N(C)CC1CC1)[NH+](C)C ZINC001575206114 952527964 /nfs/dbraw/zinc/52/79/64/952527964.db2.gz HDCRNLPUYYWKIO-CYBMUJFWSA-N 1 0 381.488 1.922 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124430 952538833 /nfs/dbraw/zinc/53/88/33/952538833.db2.gz IUVSCIWRRTYSDR-NQBHXWOUSA-N 1 0 377.399 1.235 20 0 GDADRO Cc1cccnc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1C ZINC001571127405 952555788 /nfs/dbraw/zinc/55/57/88/952555788.db2.gz GLDUUEIDSDJRRX-RHSMWYFYSA-N 1 0 377.452 1.963 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001571127894 952562318 /nfs/dbraw/zinc/56/23/18/952562318.db2.gz MBMAZXYVSCZRKZ-RDTXWAMCSA-N 1 0 377.452 1.494 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)ccn1 ZINC001571128396 952566036 /nfs/dbraw/zinc/56/60/36/952566036.db2.gz SNCCDRJPMDKIGH-KDOFPFPSSA-N 1 0 377.452 1.963 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571128473 952567264 /nfs/dbraw/zinc/56/72/64/952567264.db2.gz UCZHUOJADCMXAN-RDTXWAMCSA-N 1 0 377.452 1.760 20 0 GDADRO C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1C[NH+](C/C=C\c2ccccc2)C1 ZINC001571128477 952567549 /nfs/dbraw/zinc/56/75/49/952567549.db2.gz UHASCVRSFYSWIC-PODYEWJSSA-N 1 0 377.452 1.958 20 0 GDADRO Cc1cccnc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571128727 952569509 /nfs/dbraw/zinc/56/95/09/952569509.db2.gz XFFALOZWJVGMKO-HXUWFJFHSA-N 1 0 377.452 1.965 20 0 GDADRO C[C@H]1CN(C(=O)c2ccncc2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571129022 952573274 /nfs/dbraw/zinc/57/32/74/952573274.db2.gz ZKQUXTRANZMIBK-KBXCAEBGSA-N 1 0 377.452 1.760 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2ccncn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571135288 952601597 /nfs/dbraw/zinc/60/15/97/952601597.db2.gz STDWDFZPJVXSFF-CZUORRHYSA-N 1 0 378.440 1.440 20 0 GDADRO Cc1cncc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H](C)C2)c1 ZINC001571135409 952603245 /nfs/dbraw/zinc/60/32/45/952603245.db2.gz WWIWMTIOUVJILE-XJKSGUPXSA-N 1 0 378.440 1.350 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)c2cccnn2)C1 ZINC001571135518 952604952 /nfs/dbraw/zinc/60/49/52/952604952.db2.gz WCUCUTVXRZRZII-MRXNPFEDSA-N 1 0 378.440 1.393 20 0 GDADRO CC1(NC(=O)c2cnccn2)CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571135614 952605471 /nfs/dbraw/zinc/60/54/71/952605471.db2.gz YQNVDRPSYAPROR-UHFFFAOYSA-N 1 0 378.440 1.441 20 0 GDADRO NC(=O)c1cccc(C[N@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)C2CC2)c1 ZINC001571135920 952610177 /nfs/dbraw/zinc/61/01/77/952610177.db2.gz IBHCLTNCDVISTD-GOSISDBHSA-N 1 0 378.436 1.664 20 0 GDADRO O=C(Cc1ccoc1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135979 952611199 /nfs/dbraw/zinc/61/11/99/952611199.db2.gz JPINIJMYHXVKKU-SQNIBIBYSA-N 1 0 378.436 1.924 20 0 GDADRO O=C(c1ncc[nH]1)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571140976 952629311 /nfs/dbraw/zinc/62/93/11/952629311.db2.gz DFKBVZMMOMTLHW-JKSUJKDBSA-N 1 0 378.440 1.469 20 0 GDADRO CO[C@@H](C)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571141089 952630379 /nfs/dbraw/zinc/63/03/79/952630379.db2.gz GPTSDRFAFZOHHJ-STQMWFEESA-N 1 0 378.502 1.634 20 0 GDADRO Cc1ncncc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571141098 952630848 /nfs/dbraw/zinc/63/08/48/952630848.db2.gz GRVPXQUIUXUFEA-KOMQPUFPSA-N 1 0 378.440 1.263 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1coc(C2CC2)n1 ZINC001571141294 952632440 /nfs/dbraw/zinc/63/24/40/952632440.db2.gz JRSVXDSPOSYQGV-HNNXBMFYSA-N 1 0 379.424 1.736 20 0 GDADRO Cc1conc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571142394 952640755 /nfs/dbraw/zinc/64/07/55/952640755.db2.gz TXKODWBEQXAPCU-OAGGEKHMSA-N 1 0 379.424 1.698 20 0 GDADRO COc1cccc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571142543 952643250 /nfs/dbraw/zinc/64/32/50/952643250.db2.gz WYVUEEDLSGFUFE-AWEZNQCLSA-N 1 0 379.424 1.587 20 0 GDADRO COc1ccccc1C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571142611 952644060 /nfs/dbraw/zinc/64/40/60/952644060.db2.gz YFCGPUSRLVLTBE-UHFFFAOYSA-N 1 0 379.424 1.409 20 0 GDADRO O=C(c1ccc(=O)[nH]c1)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571147829 952664574 /nfs/dbraw/zinc/66/45/74/952664574.db2.gz QVBFAQYHQVZIKT-ZDUSSCGKSA-N 1 0 379.424 1.219 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)CCn1cccc1 ZINC001571150836 952670354 /nfs/dbraw/zinc/67/03/54/952670354.db2.gz GZQHUMMISVBDGY-MAUKXSAKSA-N 1 0 379.468 1.838 20 0 GDADRO Cc1c(C(=O)NC2CC(C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)ccn1C ZINC001571150794 952670515 /nfs/dbraw/zinc/67/05/15/952670515.db2.gz FQCOHKQTYMFOBG-UHFFFAOYSA-N 1 0 379.468 1.812 20 0 GDADRO Cc1c(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)ccn1C ZINC001571150893 952671836 /nfs/dbraw/zinc/67/18/36/952671836.db2.gz IGFOBTHIYRZTRQ-QGZVFWFLSA-N 1 0 379.468 1.908 20 0 GDADRO Cc1ccn(C)c1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571151159 952673119 /nfs/dbraw/zinc/67/31/19/952673119.db2.gz MTYINZDDGSHSSL-MRXNPFEDSA-N 1 0 379.468 1.766 20 0 GDADRO O=C(NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[C@]12C[C@H]1CCCC2 ZINC001571151864 952680324 /nfs/dbraw/zinc/68/03/24/952680324.db2.gz ZGQBUYVCPVZOSU-LPKVGUTLSA-N 1 0 379.468 1.640 20 0 GDADRO Cc1conc1C(=O)N1C[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571158542 952712598 /nfs/dbraw/zinc/71/25/98/952712598.db2.gz LFQLGIQKSBEKNE-BETUJISGSA-N 1 0 380.412 1.075 20 0 GDADRO Cc1ocnc1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001571160678 952727778 /nfs/dbraw/zinc/72/77/78/952727778.db2.gz LGQMFJGXUFCJNQ-KGLIPLIRSA-N 1 0 380.412 1.133 20 0 GDADRO CCc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C ZINC001571165283 952749562 /nfs/dbraw/zinc/74/95/62/952749562.db2.gz AVLIQDSELBYRFM-WBMJQRKESA-N 1 0 380.456 1.545 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165605 952753571 /nfs/dbraw/zinc/75/35/71/952753571.db2.gz GVKKQUMHXAKSAA-DYVFJYSZSA-N 1 0 380.456 1.302 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)[C@H]1C[C@@H]1C(F)F ZINC001571166853 952766140 /nfs/dbraw/zinc/76/61/40/952766140.db2.gz QMRSROCHSSNLNT-HKLXJQGRSA-N 1 0 380.424 1.376 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001571166901 952766916 /nfs/dbraw/zinc/76/69/16/952766916.db2.gz RJBFDAMWBBDKMM-GUYCJALGSA-N 1 0 380.456 1.094 20 0 GDADRO Cc1ccc(C(=O)N2CCC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)n1C ZINC001571169383 952772610 /nfs/dbraw/zinc/77/26/10/952772610.db2.gz BCRIWJZLYNKPMJ-AWEZNQCLSA-N 1 0 380.456 1.295 20 0 GDADRO Cc1nc(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C(C)(C)C2)c[nH]1 ZINC001571169539 952774993 /nfs/dbraw/zinc/77/49/93/952774993.db2.gz GIBWBCWOOKNNEI-INIZCTEOSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1ccn(C)c1C(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571169717 952777051 /nfs/dbraw/zinc/77/70/51/952777051.db2.gz LCKHSFDSUAIGNM-HDJSIYSDSA-N 1 0 380.456 1.484 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC001571169830 952779044 /nfs/dbraw/zinc/77/90/44/952779044.db2.gz OVOLIILPRSTHEB-DOMZBBRYSA-N 1 0 380.456 1.681 20 0 GDADRO CCn1ccnc1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169829 952779412 /nfs/dbraw/zinc/77/94/12/952779412.db2.gz OVEVDQCUKKZRIT-INIZCTEOSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169853 952779524 /nfs/dbraw/zinc/77/95/24/952779524.db2.gz PEGWUJVUBHJXBE-MRXNPFEDSA-N 1 0 380.456 1.635 20 0 GDADRO Cc1cc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[nH]n1 ZINC001571170092 952783076 /nfs/dbraw/zinc/78/30/76/952783076.db2.gz SRAZENFJCTZGEA-INIZCTEOSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1ncccc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571170146 952783846 /nfs/dbraw/zinc/78/38/46/952783846.db2.gz UFJBFBPYBNNXTL-AWEZNQCLSA-N 1 0 380.456 1.492 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C ZINC001571170541 952786696 /nfs/dbraw/zinc/78/66/96/952786696.db2.gz WFQZLBLJVWBIPJ-DYVFJYSZSA-N 1 0 380.456 1.681 20 0 GDADRO O=C(NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1cn[nH]c1 ZINC001571171927 952798894 /nfs/dbraw/zinc/79/88/94/952798894.db2.gz IQNYRLVUTPTLIW-KRWDZBQOSA-N 1 0 380.456 1.764 20 0 GDADRO O=C(CCc1cn[nH]c1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571172089 952801258 /nfs/dbraw/zinc/80/12/58/952801258.db2.gz LWTGYFLPZABEBW-UHFFFAOYSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1ncccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571172276 952804024 /nfs/dbraw/zinc/80/40/24/952804024.db2.gz RRHOQMBXEVLYHK-OAHLLOKOSA-N 1 0 380.456 1.683 20 0 GDADRO O=C(CCn1cccc1)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571172220 952804399 /nfs/dbraw/zinc/80/43/99/952804399.db2.gz PTMRJXDGEJWSCX-HNNXBMFYSA-N 1 0 380.456 1.226 20 0 GDADRO Cc1ncc(CC(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC001571179637 952854164 /nfs/dbraw/zinc/85/41/64/952854164.db2.gz HUWNYKDYEBDZJF-YVEFUNNKSA-N 1 0 381.440 1.342 20 0 GDADRO Cc1cnoc1C(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571180280 952858726 /nfs/dbraw/zinc/85/87/26/952858726.db2.gz OKYCXTRFYYMQDC-CABCVRRESA-N 1 0 381.440 1.994 20 0 GDADRO Cc1ccoc1CC(=O)N(C)C1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571180253 952859158 /nfs/dbraw/zinc/85/91/58/952859158.db2.gz NOAIRONBOFFOPB-UHFFFAOYSA-N 1 0 381.440 1.537 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1ccccn1 ZINC001571182757 952868292 /nfs/dbraw/zinc/86/82/92/952868292.db2.gz DTCDLPFPAIZBOJ-NNUKFRKNSA-N 1 0 381.415 1.699 20 0 GDADRO CO[C@H](C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)c1ccccc1 ZINC001571182725 952868309 /nfs/dbraw/zinc/86/83/09/952868309.db2.gz CUESXCYDHLEPBY-NVXWUHKLSA-N 1 0 381.440 1.387 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)c1cc(F)c[nH]1 ZINC001571182830 952869946 /nfs/dbraw/zinc/86/99/46/952869946.db2.gz GZRYXAPLQSGONN-PHZGNYQRSA-N 1 0 381.415 1.442 20 0 GDADRO O=C(NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccc(CF)cc1 ZINC001571182924 952870523 /nfs/dbraw/zinc/87/05/23/952870523.db2.gz JUZDHKHFRGCPPX-CQSZACIVSA-N 1 0 381.415 1.988 20 0 GDADRO O=C(c1ccncc1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571182886 952870821 /nfs/dbraw/zinc/87/08/21/952870821.db2.gz IQQQNBWAFNHEAE-OAHLLOKOSA-N 1 0 381.415 1.795 20 0 GDADRO CC(C)c1oncc1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571183083 952873340 /nfs/dbraw/zinc/87/33/40/952873340.db2.gz NVMCFDQKFCNLNJ-HNNXBMFYSA-N 1 0 381.440 1.982 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC001571183319 952876273 /nfs/dbraw/zinc/87/62/73/952876273.db2.gz XDURMYOOLJVBSS-OAHLLOKOSA-N 1 0 381.440 1.598 20 0 GDADRO CCc1nc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)co1 ZINC001571183295 952876772 /nfs/dbraw/zinc/87/67/72/952876772.db2.gz WANRXBLAYQOSSQ-IUODEOHRSA-N 1 0 381.440 1.810 20 0 GDADRO CCn1ccnc1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571184656 952895228 /nfs/dbraw/zinc/89/52/28/952895228.db2.gz CNQJYDGOWVFNHI-ZDUSSCGKSA-N 1 0 381.444 1.043 20 0 GDADRO CCn1ccnc1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571184655 952895244 /nfs/dbraw/zinc/89/52/44/952895244.db2.gz CNQJYDGOWVFNHI-CYBMUJFWSA-N 1 0 381.444 1.043 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)c3ccn[nH]3)C(C)(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189018 952923188 /nfs/dbraw/zinc/92/31/88/952923188.db2.gz PQEIGUUROHUQDX-HNNXBMFYSA-N 1 0 381.444 1.328 20 0 GDADRO Cc1nccnc1C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571189250 952926642 /nfs/dbraw/zinc/92/66/42/952926642.db2.gz OSPDOAAWKXXNGE-CYBMUJFWSA-N 1 0 381.444 1.078 20 0 GDADRO Cc1cc(N2C[C@@H]3CCN(C(=O)c4cccs4)[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189204 952926662 /nfs/dbraw/zinc/92/66/62/952926662.db2.gz OPBCTXWHZDHZDW-SWLSCSKDSA-N 1 0 381.465 1.983 20 0 GDADRO O=C(c1ccns1)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001571189733 952933694 /nfs/dbraw/zinc/93/36/94/952933694.db2.gz SZQRQELPXXHEFB-OKILXGFUSA-N 1 0 381.465 1.527 20 0 GDADRO C[C@@H]1CCN(C(=O)C(F)F)C[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571194020 952956702 /nfs/dbraw/zinc/95/67/02/952956702.db2.gz HGDOTGFQQIURAU-PWSUYJOCSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cccnn1 ZINC001571195488 952976231 /nfs/dbraw/zinc/97/62/31/952976231.db2.gz ANXULAFLGPJLDX-XHDPSFHLSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccncc2F)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571197320 952987997 /nfs/dbraw/zinc/98/79/97/952987997.db2.gz WNOCDPLEFNSPBW-NEPJUHHUSA-N 1 0 382.403 1.038 20 0 GDADRO C[C@H]1CN(C(=O)c2ccncc2F)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571197322 952988550 /nfs/dbraw/zinc/98/85/50/952988550.db2.gz WNOCDPLEFNSPBW-RYUDHWBXSA-N 1 0 382.403 1.038 20 0 GDADRO CCc1ncoc1C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571199172 952996662 /nfs/dbraw/zinc/99/66/62/952996662.db2.gz MSLYKGIUDLGKLY-LBPRGKRZSA-N 1 0 382.428 1.198 20 0 GDADRO CCc1ncoc1C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571199537 953001042 /nfs/dbraw/zinc/00/10/42/953001042.db2.gz URDZWQQQUDSHCO-HAQNSBGRSA-N 1 0 382.428 1.163 20 0 GDADRO O=C(c1cccnn1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571200751 953011784 /nfs/dbraw/zinc/01/17/84/953011784.db2.gz LJBHZTLVIBBTCG-ZDUSSCGKSA-N 1 0 382.403 1.190 20 0 GDADRO CC(C)c1cc(C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)on1 ZINC001571200824 953011836 /nfs/dbraw/zinc/01/18/36/953011836.db2.gz MDLZOGMPAOUGLT-GFCCVEGCSA-N 1 0 382.428 1.512 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnon1 ZINC001571204944 953035311 /nfs/dbraw/zinc/03/53/11/953035311.db2.gz DLJNGQPBBZSILP-LSDHHAIUSA-N 1 0 382.428 1.328 20 0 GDADRO Cc1ncoc1C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001571206287 953048705 /nfs/dbraw/zinc/04/87/05/953048705.db2.gz OEISXVHHIIOREI-GOSISDBHSA-N 1 0 382.428 1.229 20 0 GDADRO Cc1ncc(CC(=O)N[C@H]2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)o1 ZINC001571206969 953058487 /nfs/dbraw/zinc/05/84/87/953058487.db2.gz VGSXBWIBCYVROL-JOCQHMNTSA-N 1 0 382.428 1.062 20 0 GDADRO CC1(C)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571209949 953069699 /nfs/dbraw/zinc/06/96/99/953069699.db2.gz JZLQOGMEZALHRO-TWMKSMIVSA-N 1 0 382.468 1.086 20 0 GDADRO O=C([C@@H]1CCCOC1)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571210621 953073319 /nfs/dbraw/zinc/07/33/19/953073319.db2.gz URECUZOMQOLOJJ-JFIYKMOQSA-N 1 0 382.468 1.326 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CC34CC4)C2)cc1-c1nn[nH]n1 ZINC001571210663 953074419 /nfs/dbraw/zinc/07/44/19/953074419.db2.gz VLLRZKGNXCLZEX-GDBMZVCRSA-N 1 0 382.468 1.756 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC001571217394 953107916 /nfs/dbraw/zinc/10/79/16/953107916.db2.gz KPHQPCSBBVNQTD-GHMZBOCLSA-N 1 0 383.378 1.445 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4F)C[C@H]32)no1 ZINC001571218554 953115798 /nfs/dbraw/zinc/11/57/98/953115798.db2.gz WXMHROCYEQUOFO-VIKVFOODSA-N 1 0 383.387 1.162 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH+]2CCC1CC2)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001571218755 953118756 /nfs/dbraw/zinc/11/87/56/953118756.db2.gz QDAVZTDCPLSEMV-LLVKDONJSA-N 1 0 382.877 1.140 20 0 GDADRO Cc1nonc1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001571224745 953150715 /nfs/dbraw/zinc/15/07/15/953150715.db2.gz FLJAURKMLPOWFI-DGCLKSJQSA-N 1 0 383.416 1.049 20 0 GDADRO Cc1c[nH]cc1C(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571229370 953169439 /nfs/dbraw/zinc/16/94/39/953169439.db2.gz CXHAZHHNIDPYOC-UHFFFAOYSA-N 1 0 383.431 1.941 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571229438 953169736 /nfs/dbraw/zinc/16/97/36/953169736.db2.gz FDPIJSIUTLECNO-JNSHFYNHSA-N 1 0 383.431 1.675 20 0 GDADRO Cc1cc[nH]c1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571230691 953179880 /nfs/dbraw/zinc/17/98/80/953179880.db2.gz ZNWPJEABWJAUCA-LBPRGKRZSA-N 1 0 383.431 1.893 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571234055 953198042 /nfs/dbraw/zinc/19/80/42/953198042.db2.gz MAALREOSAVJCJI-RLCCDNCMSA-N 1 0 383.481 1.834 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)Cc1ccco1 ZINC001571238773 953232104 /nfs/dbraw/zinc/23/21/04/953232104.db2.gz AGNFABHVHUUQKJ-DOMZBBRYSA-N 1 0 384.415 1.921 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571238843 953233345 /nfs/dbraw/zinc/23/33/45/953233345.db2.gz AWRTVFKWIQQLMG-LSDHHAIUSA-N 1 0 384.419 1.512 20 0 GDADRO Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571239551 953240635 /nfs/dbraw/zinc/24/06/35/953240635.db2.gz MENMCNKHINGXCM-QLJPJBMISA-N 1 0 384.419 1.288 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2F)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571239617 953241290 /nfs/dbraw/zinc/24/12/90/953241290.db2.gz NZDZDRNGSHXZAJ-YPMHNXCESA-N 1 0 384.419 1.512 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC001571239708 953242118 /nfs/dbraw/zinc/24/21/18/953242118.db2.gz QVPDVDXELXDEEW-BXUZGUMPSA-N 1 0 384.419 1.227 20 0 GDADRO O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ccn[nH]1 ZINC001571241526 953247613 /nfs/dbraw/zinc/24/76/13/953247613.db2.gz CAURPFBUBRBVLO-RISCZKNCSA-N 1 0 384.419 1.417 20 0 GDADRO O=C(c1cn[nH]c1)N1CCC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571242025 953252317 /nfs/dbraw/zinc/25/23/17/953252317.db2.gz SZINKAKNEYNXIO-GFCCVEGCSA-N 1 0 384.419 1.371 20 0 GDADRO O=C(COc1ccsc1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571245329 953272098 /nfs/dbraw/zinc/27/20/98/953272098.db2.gz GOEQKWCWCAHRSP-HNNXBMFYSA-N 1 0 384.465 1.698 20 0 GDADRO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571245469 953274073 /nfs/dbraw/zinc/27/40/73/953274073.db2.gz IZEMWRNDHMLVJO-IGKNDFSCSA-N 1 0 384.459 1.844 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001571247843 953287566 /nfs/dbraw/zinc/28/75/66/953287566.db2.gz GAJUPSIQQSALAR-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO O=C(c1cnc2n1CCC2)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571247999 953288878 /nfs/dbraw/zinc/28/88/78/953288878.db2.gz KTPHTXNJYUCQKA-LLVKDONJSA-N 1 0 384.469 1.075 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOC1 ZINC001571248450 953293619 /nfs/dbraw/zinc/29/36/19/953293619.db2.gz UHMHFZCDYLELHU-MBOZVWFJSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571248434 953293837 /nfs/dbraw/zinc/29/38/37/953293837.db2.gz TVYYITJQMICXNM-IKICRFKJSA-N 1 0 384.484 1.666 20 0 GDADRO Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571248576 953295085 /nfs/dbraw/zinc/29/50/85/953295085.db2.gz GXICLPOETSNFQV-ZBEGNZNMSA-N 1 0 384.444 1.664 20 0 GDADRO Cc1noc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571248601 953295443 /nfs/dbraw/zinc/29/54/43/953295443.db2.gz HKFDUMVZVLALPT-QWHCGFSZSA-N 1 0 384.444 1.488 20 0 GDADRO O=C(C[C@H]1CCCOC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571249055 953300104 /nfs/dbraw/zinc/30/01/04/953300104.db2.gz BXUDOJRRPCAGEI-QGZVFWFLSA-N 1 0 384.484 1.718 20 0 GDADRO O=C([C@@H]1CCCOCC1)N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571249098 953300343 /nfs/dbraw/zinc/30/03/43/953300343.db2.gz DFKWAFKXVURDOE-OAHLLOKOSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCC1 ZINC001571249082 953300894 /nfs/dbraw/zinc/30/08/94/953300894.db2.gz CRHHAAFTYQMTLK-CQSZACIVSA-N 1 0 384.488 1.397 20 0 GDADRO O=C(CC1CCOCC1)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571249121 953301274 /nfs/dbraw/zinc/30/12/74/953301274.db2.gz DJMNKUNVKXEPCC-UHFFFAOYSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1CN(C(=O)CC[C@@H]2CCOC2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571250872 953313577 /nfs/dbraw/zinc/31/35/77/953313577.db2.gz UPYNSXRZUWIUSE-IIDMSEBBSA-N 1 0 384.484 1.620 20 0 GDADRO Cc1cnc([C@H](C)[NH2+]C2CCC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571251319 953316244 /nfs/dbraw/zinc/31/62/44/953316244.db2.gz UDPJOOCAXAZHRH-HIFPTAJRSA-N 1 0 384.444 1.883 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252053 953322671 /nfs/dbraw/zinc/32/26/71/953322671.db2.gz GGQNIDFPLNFSGM-ZBFHGGJFSA-N 1 0 384.488 1.397 20 0 GDADRO Cc1nc(NCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)ccc1-c1nn[nH]n1 ZINC001571252054 953322715 /nfs/dbraw/zinc/32/27/15/953322715.db2.gz GGQOCMNLGVESLT-HNNXBMFYSA-N 1 0 384.488 1.172 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571252092 953322911 /nfs/dbraw/zinc/32/29/11/953322911.db2.gz GYRXXKJIPHCVPK-GOEBONIOSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC[N@@H+]1C ZINC001571252070 953323314 /nfs/dbraw/zinc/32/33/14/953323314.db2.gz GOIPJIHPCJPWSQ-CKFHNAJUSA-N 1 0 384.488 1.077 20 0 GDADRO C[NH+]1CCC(CC(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571252130 953324125 /nfs/dbraw/zinc/32/41/25/953324125.db2.gz IFFHSESSDQOBRV-MRXNPFEDSA-N 1 0 384.488 1.397 20 0 GDADRO O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cocn1 ZINC001571254020 953336092 /nfs/dbraw/zinc/33/60/92/953336092.db2.gz CIADZXFGZFVZBD-SMDDNHRTSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cnco1 ZINC001571254253 953337141 /nfs/dbraw/zinc/33/71/41/953337141.db2.gz FELWNLBHJKLKKT-DGCLKSJQSA-N 1 0 385.403 1.777 20 0 GDADRO COc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571256164 953365708 /nfs/dbraw/zinc/36/57/08/953365708.db2.gz ZOPJYKWGMXJIDT-CQSZACIVSA-N 1 0 385.403 1.347 20 0 GDADRO O=C(N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cc(F)cc(F)c1 ZINC001571256355 953370936 /nfs/dbraw/zinc/37/09/36/953370936.db2.gz VSLYAELHFFHTGH-YPFXGUDJSA-N 1 0 385.378 1.582 20 0 GDADRO C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001593785054 954692956 /nfs/dbraw/zinc/69/29/56/954692956.db2.gz JNNFYJHHVWPOJG-KRWDZBQOSA-N 1 0 378.517 1.650 20 0 GDADRO CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)CC1 ZINC001603068475 972134987 /nfs/dbraw/zinc/13/49/87/972134987.db2.gz PCXVMWLAWRASPA-MSOLQXFVSA-N 1 0 377.533 1.326 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000874419384 956210517 /nfs/dbraw/zinc/21/05/17/956210517.db2.gz QNNVRNRBFHWNKP-INIZCTEOSA-N 1 0 382.892 1.791 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)C2)CC1 ZINC001343117101 958027722 /nfs/dbraw/zinc/02/77/22/958027722.db2.gz LHEHWNVKBWOMJD-JVPBZIDWSA-N 1 0 386.496 1.767 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000273664773 962790270 /nfs/dbraw/zinc/79/02/70/962790270.db2.gz IPTXGSKDZFKYAG-INIZCTEOSA-N 1 0 383.514 1.421 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000868447220 969338548 /nfs/dbraw/zinc/33/85/48/969338548.db2.gz KBSJPBZDRFVFBI-INIZCTEOSA-N 1 0 377.460 1.703 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000874401104 969381138 /nfs/dbraw/zinc/38/11/38/969381138.db2.gz AVGQIMACPUPPEG-UHFFFAOYSA-N 1 0 380.533 1.881 20 0 GDADRO C[C@H](CNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)C[NH+](C)C ZINC001592682006 979102284 /nfs/dbraw/zinc/10/22/84/979102284.db2.gz IRDKTKYQLJQALM-OAHLLOKOSA-N 1 0 377.489 1.212 20 0 GDADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC001596273035 983691994 /nfs/dbraw/zinc/69/19/94/983691994.db2.gz MPMRLZGQVGSFGW-QGZVFWFLSA-N 1 0 377.485 1.496 20 0 GDADRO CC[NH+]1CCN(c2ncnc(N3CC[N@@H+](CC)[C@@H](C)C3)c2C(=O)[O-])C[C@H]1C ZINC001596442332 984135960 /nfs/dbraw/zinc/13/59/60/984135960.db2.gz ILJYJPTZMOQZBB-GASCZTMLSA-N 1 0 376.505 1.236 20 0 GDADRO CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)C1 ZINC001590065105 989119556 /nfs/dbraw/zinc/11/95/56/989119556.db2.gz PLNLDDPEPVMDAM-FQEVSTJZSA-N 1 0 399.532 1.931 20 0 GDADRO CN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598048225 990289651 /nfs/dbraw/zinc/28/96/51/990289651.db2.gz ZYNHBKGHRLUMDR-WOVMCDHWSA-N 1 0 375.473 1.098 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1)c1cccnc1 ZINC001598213658 990865800 /nfs/dbraw/zinc/86/58/00/990865800.db2.gz FHHMJDANCWSADE-MRXNPFEDSA-N 1 0 377.489 1.265 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3ccc(N4CC[NH+](CC(=O)[O-])CC4)cc3)[C@@H]2C1 ZINC001598572826 993226288 /nfs/dbraw/zinc/22/62/88/993226288.db2.gz AXZGZCGKYUXRKK-MAUKXSAKSA-N 1 0 387.484 1.061 20 0 GDADRO C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC001598588238 993414976 /nfs/dbraw/zinc/41/49/76/993414976.db2.gz TYTKDMSXOASWKF-SQNIBIBYSA-N 1 0 380.510 1.648 20 0 GDADRO C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C[C@@H](C(=O)[O-])C1 ZINC001598606195 993663151 /nfs/dbraw/zinc/66/31/51/993663151.db2.gz IFFBTYYCWUMNGX-GHTZIAJQSA-N 1 0 388.512 1.556 20 0 GDADRO C[N@@H+]1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C[C@@H](C(=O)[O-])C1 ZINC001598607910 993703050 /nfs/dbraw/zinc/70/30/50/993703050.db2.gz UPAIHBYUWLHXQJ-KRWDZBQOSA-N 1 0 380.533 1.691 20 0 GDADRO COc1ccc(C(=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c1 ZINC001599491533 996948533 /nfs/dbraw/zinc/94/85/33/996948533.db2.gz ALVASEOYDXNEPC-UHFFFAOYSA-N 1 0 399.513 1.040 20 0 GDADRO COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001599231313 997861106 /nfs/dbraw/zinc/86/11/06/997861106.db2.gz RXDDWFFSWFTHBR-QGZVFWFLSA-N 1 0 397.560 1.769 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)CC[N@@H+]1CCC(=O)[O-] ZINC001594466919 999691922 /nfs/dbraw/zinc/69/19/22/999691922.db2.gz ULEKUBPFYAFUNG-UYAOXDASSA-N 1 0 387.524 1.949 20 0 GDADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000466913001 1126094280 /nfs/dbraw/zinc/09/42/80/1126094280.db2.gz DTGCYFBSCQBMGR-OALUTQOASA-N 1 0 377.510 1.418 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@]2(CO)COc3ccccc3C2)c1 ZINC000528646583 1126095984 /nfs/dbraw/zinc/09/59/84/1126095984.db2.gz SWFRIUUZWGWJDP-LJQANCHMSA-N 1 0 376.478 1.393 20 0 GDADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@](C)(CO)Cc1ccc(F)cc1 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/nfs/dbraw/zinc/14/41/51/1126144151.db2.gz XNBZOFAOHFIEQV-LJQANCHMSA-N 1 0 397.516 1.767 20 0 GDADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1C ZINC001592148592 1126216927 /nfs/dbraw/zinc/21/69/27/1126216927.db2.gz RWRSQTVXKYANKE-QGZVFWFLSA-N 1 0 377.452 1.824 20 0 GDADRO CNC(=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000158388641 530532737 /nfs/dbraw/zinc/53/27/37/530532737.db2.gz OBSYWYWKYBPOJZ-UHFFFAOYSA-N 1 0 381.523 1.793 20 0 GDADRO O=S(=O)(Cc1ccc(Br)cc1)NCCC[NH+]1CCC(O)CC1 ZINC000158990586 530538371 /nfs/dbraw/zinc/53/83/71/530538371.db2.gz BVEHFFOGHFBTSJ-UHFFFAOYSA-N 1 0 391.331 1.715 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc(Br)ccc1Br ZINC000160996763 530556663 /nfs/dbraw/zinc/55/66/63/530556663.db2.gz FELMVZLXFZHMFB-VIFPVBQESA-N 1 0 378.064 1.930 20 0 GDADRO CSCC[C@@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000167283756 530583232 /nfs/dbraw/zinc/58/32/32/530583232.db2.gz JWQIITSAFHRRCN-SNVBAGLBSA-N 1 0 375.292 1.321 20 0 GDADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2I)CC1 ZINC000162030540 530565875 /nfs/dbraw/zinc/56/58/75/530565875.db2.gz BUZPADCZACQBEW-UHFFFAOYSA-N 1 0 387.221 1.394 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000162173720 530566795 /nfs/dbraw/zinc/56/67/95/530566795.db2.gz GESZJZFSZBQCMM-UHFFFAOYSA-N 1 0 398.301 1.535 20 0 GDADRO CC(C)Cc1ncc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)s1 ZINC000162590761 530569324 /nfs/dbraw/zinc/56/93/24/530569324.db2.gz SDSTWOWCHSHOHN-CQSZACIVSA-N 1 0 375.560 1.920 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000162849370 530571492 /nfs/dbraw/zinc/57/14/92/530571492.db2.gz ITRCDDFXRYRGSB-LLVKDONJSA-N 1 0 382.258 1.679 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCO1 ZINC000163017197 530572979 /nfs/dbraw/zinc/57/29/79/530572979.db2.gz PRUACGVCWXIOJC-YWPYICTPSA-N 1 0 396.285 1.377 20 0 GDADRO C[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)[C@H]1CN(C)CCO1 ZINC000163030911 530573050 /nfs/dbraw/zinc/57/30/50/530573050.db2.gz JEUDINGDZABYAX-PRHODGIISA-N 1 0 399.257 1.725 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000163877813 530577885 /nfs/dbraw/zinc/57/78/85/530577885.db2.gz ZRGJCOBBWXFJDY-GFCCVEGCSA-N 1 0 387.278 1.256 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(C)c(Br)s2)[C@@H](C[NH3+])C1 ZINC000167302938 530584198 /nfs/dbraw/zinc/58/41/98/530584198.db2.gz TVKLDGAFDYRMKC-NXEZZACHSA-N 1 0 383.333 1.946 20 0 GDADRO Nc1cc(N)[nH+]c(SCc2nnnn2-c2ccccc2Br)n1 ZINC000170783285 530588644 /nfs/dbraw/zinc/58/86/44/530588644.db2.gz ZBZIWCMZXZGNTH-UHFFFAOYSA-N 1 0 379.247 1.672 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000027740185 530589820 /nfs/dbraw/zinc/58/98/20/530589820.db2.gz IKQZTKCFCUCEMM-CQSZACIVSA-N 1 0 387.933 1.951 20 0 GDADRO C[C@@]12CCC(=O)N1[C@@H](C(=O)NCC1([NH+]3CCSCC3)CCCC1)CS2 ZINC000029369814 530594924 /nfs/dbraw/zinc/59/49/24/530594924.db2.gz YXYNCYPSGHVMID-RHSMWYFYSA-N 1 0 383.583 1.918 20 0 GDADRO COc1ccc(Br)cc1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000030656284 530600161 /nfs/dbraw/zinc/60/01/61/530600161.db2.gz NOLSDNJGZGJJMW-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000172207696 530609830 /nfs/dbraw/zinc/60/98/30/530609830.db2.gz QMODQYOUPYOMDM-NSHDSACASA-N 1 0 394.278 1.863 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000172388284 530612734 /nfs/dbraw/zinc/61/27/34/530612734.db2.gz WKAUTPVZDMYODO-UHFFFAOYSA-N 1 0 381.329 1.646 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172416099 530613319 /nfs/dbraw/zinc/61/33/19/530613319.db2.gz NHIXYNKRZSBXMO-AWEZNQCLSA-N 1 0 385.555 1.892 20 0 GDADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173210835 530626081 /nfs/dbraw/zinc/62/60/81/530626081.db2.gz JERRBVNBZFFRFM-LBPRGKRZSA-N 1 0 382.233 1.999 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)CCOc2cccc(Br)c2)CC1 ZINC000042589532 530629867 /nfs/dbraw/zinc/62/98/67/530629867.db2.gz DLMYDJQMHZEFLK-UHFFFAOYSA-N 1 0 384.318 1.972 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000173456849 530630858 /nfs/dbraw/zinc/63/08/58/530630858.db2.gz LQWVKDOSWROVMH-GFCCVEGCSA-N 1 0 379.448 1.656 20 0 GDADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1c[nH]c(=O)c(Br)c1 ZINC000173677404 530634829 /nfs/dbraw/zinc/63/48/29/530634829.db2.gz HNXVRYBQXMOQOB-UHFFFAOYSA-N 1 0 398.301 1.902 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)Oc1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000173727397 530635405 /nfs/dbraw/zinc/63/54/05/530635405.db2.gz AHIBBRNTFLDSRQ-KBPBESRZSA-N 1 0 384.318 1.969 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000174135309 530644072 /nfs/dbraw/zinc/64/40/72/530644072.db2.gz UISWACIRJFJEAB-ZDUSSCGKSA-N 1 0 386.543 1.284 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000044572017 530639115 /nfs/dbraw/zinc/63/91/15/530639115.db2.gz BIHRLCHJEWIZHO-NSHDSACASA-N 1 0 379.935 1.623 20 0 GDADRO C[NH+]1CCC(CNS(=O)(=O)c2ccccc2Cl)(N2CCOCC2)CC1 ZINC000040616389 530620266 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Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cn1 ZINC000175842384 530671364 /nfs/dbraw/zinc/67/13/64/530671364.db2.gz JBNSGLGYBJQVDJ-HIFRSBDPSA-N 1 0 384.527 1.348 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000049737010 530674641 /nfs/dbraw/zinc/67/46/41/530674641.db2.gz IBHYHENHSWSHQH-HNNXBMFYSA-N 1 0 389.949 1.899 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)s1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000049992475 530675128 /nfs/dbraw/zinc/67/51/28/530675128.db2.gz PCIQKDYJGSCKFH-NSHDSACASA-N 1 0 386.315 1.937 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000051122172 530677997 /nfs/dbraw/zinc/67/79/97/530677997.db2.gz JNOYMTWOCMVKCR-UHFFFAOYSA-N 1 0 386.327 1.675 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@@H]1C ZINC000176663895 530688065 /nfs/dbraw/zinc/68/80/65/530688065.db2.gz NWUXUMYJPKSDKJ-QWHCGFSZSA-N 1 0 398.301 1.092 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)sc1Br ZINC000176935183 530694871 /nfs/dbraw/zinc/69/48/71/530694871.db2.gz PWQPVALNMREOLM-LLVKDONJSA-N 1 0 396.376 1.733 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000178434606 530720704 /nfs/dbraw/zinc/72/07/04/530720704.db2.gz OQQJLSNHSOTUDT-KBPBESRZSA-N 1 0 376.544 1.801 20 0 GDADRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)c1ccc(Br)o1 ZINC000054151920 530698901 /nfs/dbraw/zinc/69/89/01/530698901.db2.gz SZGJXBZJIRMLFV-UHFFFAOYSA-N 1 0 384.274 1.857 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000177213120 530699711 /nfs/dbraw/zinc/69/97/11/530699711.db2.gz XXXFCACCTRBIRV-LLVKDONJSA-N 1 0 398.248 1.963 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N(C)CC[NH+](C)C)ccc1Br ZINC000177680874 530708435 /nfs/dbraw/zinc/70/84/35/530708435.db2.gz WOUWRDNAENUULW-UHFFFAOYSA-N 1 0 392.319 1.333 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000177729273 530710319 /nfs/dbraw/zinc/71/03/19/530710319.db2.gz YGHGAZPHTOLTPF-JTQLQIEISA-N 1 0 384.249 1.545 20 0 GDADRO 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CC[N@H+](CCO)CCNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000183980932 530822733 /nfs/dbraw/zinc/82/27/33/530822733.db2.gz PCRRQIKVHZJJBZ-LLVKDONJSA-N 1 0 376.284 1.542 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1ccc(Cl)c(I)c1 ZINC000183980673 530823030 /nfs/dbraw/zinc/82/30/30/530823030.db2.gz ODPJIJUNKZCBQQ-UHFFFAOYSA-N 1 0 396.656 1.989 20 0 GDADRO C[C@H](C[N@H+](C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1nccs1 ZINC000184007825 530823568 /nfs/dbraw/zinc/82/35/68/530823568.db2.gz RKJOISVKEPYHEW-GFCCVEGCSA-N 1 0 382.511 1.855 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000101663761 530825593 /nfs/dbraw/zinc/82/55/93/530825593.db2.gz ZZZLNNDDIUAXHC-UHFFFAOYSA-N 1 0 391.906 1.077 20 0 GDADRO CC(C)(C)[C@@H](NCC(=O)Nc1ccc(I)cc1)C(N)=O ZINC000106445300 530848326 /nfs/dbraw/zinc/84/83/26/530848326.db2.gz DYGORFFBTYXOQW-LBPRGKRZSA-N 1 0 389.237 1.719 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCOc1cccc(Br)c1 ZINC000106541057 530848883 /nfs/dbraw/zinc/84/88/83/530848883.db2.gz 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OC[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000186531118 530857383 /nfs/dbraw/zinc/85/73/83/530857383.db2.gz YBXWSRSHHNMMAK-SDDRHHMPSA-N 1 0 380.666 1.270 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000108384248 530857524 /nfs/dbraw/zinc/85/75/24/530857524.db2.gz FVAQRTVSOGSOQI-GASCZTMLSA-N 1 0 388.555 1.736 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000111402353 530874851 /nfs/dbraw/zinc/87/48/51/530874851.db2.gz JQABEVMMBNYNCC-AAEUAGOBSA-N 1 0 378.416 1.734 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000186786619 530862695 /nfs/dbraw/zinc/86/26/95/530862695.db2.gz MVUZTEFTPLLOMB-YGRLFVJLSA-N 1 0 379.258 1.273 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000186876666 530864612 /nfs/dbraw/zinc/86/46/12/530864612.db2.gz CALSGICJMZUVBL-BXUZGUMPSA-N 1 0 389.315 1.478 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000109848652 530865134 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375.516 1.196 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)Cc2ccc(Br)s2)CC[N@H+](C)C1 ZINC000413921068 531423789 /nfs/dbraw/zinc/42/37/89/531423789.db2.gz NSWYSHIBIFBYFM-SNVBAGLBSA-N 1 0 375.288 1.616 20 0 GDADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000532578357 531423912 /nfs/dbraw/zinc/42/39/12/531423912.db2.gz NSVUFVRPLDEOPD-MGPQQGTHSA-N 1 0 385.555 1.207 20 0 GDADRO CCOC(=O)C[C@@H](NC(=O)C[C@H](C[NH3+])OC)c1ccc(Br)cc1 ZINC000447440829 531428981 /nfs/dbraw/zinc/42/89/81/531428981.db2.gz NENPQZNKAWJFMI-ZIAGYGMSSA-N 1 0 387.274 1.923 20 0 GDADRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1S(C)(=O)=O ZINC000447555237 531429502 /nfs/dbraw/zinc/42/95/02/531429502.db2.gz AKSKWTREVVIAAM-ZDUSSCGKSA-N 1 0 382.507 1.897 20 0 GDADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533286710 531429633 /nfs/dbraw/zinc/42/96/33/531429633.db2.gz TYOLZQUCXVYEBW-LLVKDONJSA-N 1 0 379.258 1.415 20 0 GDADRO NC(=O)C[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533309464 531430045 /nfs/dbraw/zinc/43/00/45/531430045.db2.gz AHXLPOOVJBTXNJ-LLVKDONJSA-N 1 0 379.258 1.544 20 0 GDADRO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533309466 531430073 /nfs/dbraw/zinc/43/00/73/531430073.db2.gz AHXLPOOVJBTXNJ-NSHDSACASA-N 1 0 379.258 1.544 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000485560000 531436389 /nfs/dbraw/zinc/43/63/89/531436389.db2.gz KNDIVGVLEBZDMA-GWCFXTLKSA-N 1 0 379.404 1.663 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000485560003 531436562 /nfs/dbraw/zinc/43/65/62/531436562.db2.gz KNDIVGVLEBZDMA-ZWNOBZJWSA-N 1 0 379.404 1.663 20 0 GDADRO OC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCO1 ZINC000447923646 531441354 /nfs/dbraw/zinc/44/13/54/531441354.db2.gz SYGBXOPNVDDYDM-SNPRPXQTSA-N 1 0 378.238 1.457 20 0 GDADRO NS(=O)(=O)c1ccc(CNCC2([NH+]3CCCC3)CCOCC2)cc1Cl ZINC000414325410 531439879 /nfs/dbraw/zinc/43/98/79/531439879.db2.gz CRFYJQGJJFOJPR-UHFFFAOYSA-N 1 0 387.933 1.722 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000293801245 531445744 /nfs/dbraw/zinc/44/57/44/531445744.db2.gz RDNCXIDYZZFSKV-HNNXBMFYSA-N 1 0 392.301 1.610 20 0 GDADRO Cc1nn(C)c(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1Br ZINC000447934214 531442687 /nfs/dbraw/zinc/44/26/87/531442687.db2.gz WXPDGEXOFDOITD-UHFFFAOYSA-N 1 0 386.338 1.523 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CN1C1CC1 ZINC000414360573 531443379 /nfs/dbraw/zinc/44/33/79/531443379.db2.gz GSBVRASAACPGEA-PWSUYJOCSA-N 1 0 388.331 1.811 20 0 GDADRO CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000486026643 531444103 /nfs/dbraw/zinc/44/41/03/531444103.db2.gz MDOSFXBKYAETFO-HNNXBMFYSA-N 1 0 376.500 1.344 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1Br ZINC000414365370 531444432 /nfs/dbraw/zinc/44/44/32/531444432.db2.gz LDMWRMXBESHAEZ-TZMCWYRMSA-N 1 0 375.288 1.754 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000279720760 531451790 /nfs/dbraw/zinc/45/17/90/531451790.db2.gz IXABDKIZTUYZPW-LLVKDONJSA-N 1 0 381.420 1.341 20 0 GDADRO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000267790256 531452414 /nfs/dbraw/zinc/45/24/14/531452414.db2.gz LYPPRJOBNKLULO-CQSZACIVSA-N 1 0 385.511 1.933 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)n1 ZINC000448534855 531455139 /nfs/dbraw/zinc/45/51/39/531455139.db2.gz MEGRTGIUMAKDKZ-UHFFFAOYSA-N 1 0 384.267 2.006 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000415351756 531477875 /nfs/dbraw/zinc/47/78/75/531477875.db2.gz ITGIFTIDYPSFOF-SNVBAGLBSA-N 1 0 387.221 1.345 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000415311986 531473560 /nfs/dbraw/zinc/47/35/60/531473560.db2.gz RWKGCVDBMXUCJR-UHFFFAOYSA-N 1 0 388.237 1.747 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000294335698 531473657 /nfs/dbraw/zinc/47/36/57/531473657.db2.gz YCGDGKUDHPYBNL-NSHDSACASA-N 1 0 386.699 1.088 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000487512298 531473787 /nfs/dbraw/zinc/47/37/87/531473787.db2.gz ZDNOTFGIEJEKFZ-BYCMXARLSA-N 1 0 380.286 1.868 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000449712125 531474027 /nfs/dbraw/zinc/47/40/27/531474027.db2.gz QESWCVVGVASUMO-ZYHUDNBSSA-N 1 0 379.404 1.227 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000540901257 531474109 /nfs/dbraw/zinc/47/41/09/531474109.db2.gz YVGNUPOYTZZKCJ-HUUCEWRRSA-N 1 0 379.507 1.484 20 0 GDADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415320752 531474528 /nfs/dbraw/zinc/47/45/28/531474528.db2.gz WJWRJVBISVTOIG-LLVKDONJSA-N 1 0 382.251 1.986 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)ccc1Br ZINC000415319881 531474623 /nfs/dbraw/zinc/47/46/23/531474623.db2.gz UQDFDZSFNRDYJT-JTQLQIEISA-N 1 0 384.230 1.042 20 0 GDADRO Cn1cc(Br)cc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)c1=O ZINC000415319694 531474711 /nfs/dbraw/zinc/47/47/11/531474711.db2.gz UDOOKTUKFRAISW-UHFFFAOYSA-N 1 0 399.289 1.254 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415318972 531474831 /nfs/dbraw/zinc/47/48/31/531474831.db2.gz RXMSHJFQKNZPQD-NSHDSACASA-N 1 0 387.221 1.406 20 0 GDADRO Cc1oc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1S(=O)(=O)N1CCCC1 ZINC000449725403 531474926 /nfs/dbraw/zinc/47/49/26/531474926.db2.gz VGYDDRPRSSSBNN-GFCCVEGCSA-N 1 0 383.392 1.382 20 0 GDADRO C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000449729917 531475057 /nfs/dbraw/zinc/47/50/57/531475057.db2.gz ORARUMQQOCMYEP-MFKMUULPSA-N 1 0 381.420 1.436 20 0 GDADRO O=C(Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415330565 531475259 /nfs/dbraw/zinc/47/52/59/531475259.db2.gz OIYFOHGTSZRETP-VIFPVBQESA-N 1 0 380.164 1.885 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000267870127 531458477 /nfs/dbraw/zinc/45/84/77/531458477.db2.gz LJMYBMUKMLWDRT-GFCCVEGCSA-N 1 0 378.466 1.478 20 0 GDADRO CCNS(=O)(=O)[C@H]1CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000362358384 531459210 /nfs/dbraw/zinc/45/92/10/531459210.db2.gz LNNRPBKTSQPCND-HNNXBMFYSA-N 1 0 375.535 1.647 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000362294067 531459541 /nfs/dbraw/zinc/45/95/41/531459541.db2.gz RDDLOKVIMZYAGU-GFCCVEGCSA-N 1 0 381.274 1.869 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC2(C1)CC[NH2+]CC2 ZINC000362640492 531461898 /nfs/dbraw/zinc/46/18/98/531461898.db2.gz OMFXCWKIULMERP-UHFFFAOYSA-N 1 0 377.919 1.282 20 0 GDADRO CCCCNS(=O)(=O)c1cccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000414738585 531462728 /nfs/dbraw/zinc/46/27/28/531462728.db2.gz BNPYTKOIZVJJSB-CYBMUJFWSA-N 1 0 378.445 1.869 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000362860243 531464828 /nfs/dbraw/zinc/46/48/28/531464828.db2.gz SEEZKQNYGDRLTK-CQSZACIVSA-N 1 0 389.543 1.289 20 0 GDADRO CCOc1cc(CN(C)CC[NH3+])cc(Br)c1OCC(=O)N(C)C ZINC000415100177 531465310 /nfs/dbraw/zinc/46/53/10/531465310.db2.gz AJUJWULXBARTLX-UHFFFAOYSA-N 1 0 388.306 1.705 20 0 GDADRO [NH3+]CC[C@@H](NCc1ccccc1S(=O)(=O)N1CCOCC1)C(F)(F)F ZINC000415052995 531465770 /nfs/dbraw/zinc/46/57/70/531465770.db2.gz IXEZGGFPPIMXLV-CQSZACIVSA-N 1 0 381.420 1.077 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000415181479 531467264 /nfs/dbraw/zinc/46/72/64/531467264.db2.gz BXHDPCGJFHSKMT-SNVBAGLBSA-N 1 0 382.408 1.647 20 0 GDADRO C[C@](O)(CN1CC[C@H](S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000294215946 531467581 /nfs/dbraw/zinc/46/75/81/531467581.db2.gz SBNQRHAXNAPYBL-FZMZJTMJSA-N 1 0 380.279 1.915 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)C(F)F ZINC000449173919 531467872 /nfs/dbraw/zinc/46/78/72/531467872.db2.gz OMJWOSYEDKNPGD-GZMMTYOYSA-N 1 0 381.217 1.678 20 0 GDADRO COc1cc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1Br ZINC000415264001 531468816 /nfs/dbraw/zinc/46/88/16/531468816.db2.gz KJFLOGNVKLFKDG-NSHDSACASA-N 1 0 399.289 1.777 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415263054 531469439 /nfs/dbraw/zinc/46/94/39/531469439.db2.gz ANIUCNWSKUUQQB-LLVKDONJSA-N 1 0 398.257 1.514 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000449409471 531470257 /nfs/dbraw/zinc/47/02/57/531470257.db2.gz UBPZFQXAHQINRA-IINYFYTJSA-N 1 0 380.279 1.658 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1sccc1C[NH+](C)C ZINC000268051865 531470990 /nfs/dbraw/zinc/47/09/90/531470990.db2.gz VTYYEWBNIZPSKI-UHFFFAOYSA-N 1 0 381.523 1.990 20 0 GDADRO Cc1sc(Br)nc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000294288054 531471275 /nfs/dbraw/zinc/47/12/75/531471275.db2.gz HZFVSWOXBDESKK-UHFFFAOYSA-N 1 0 375.292 1.060 20 0 GDADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)CS(C)(=O)=O)cc1Br ZINC000449598829 531472611 /nfs/dbraw/zinc/47/26/11/531472611.db2.gz JFLFYQQESJFMGD-GXTWGEPZSA-N 1 0 378.332 1.931 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415295472 531472836 /nfs/dbraw/zinc/47/28/36/531472836.db2.gz AQJASRVFSFASCR-SNVBAGLBSA-N 1 0 384.230 1.042 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)CS(C)(=O)=O)cc1Br ZINC000449604710 531473012 /nfs/dbraw/zinc/47/30/12/531473012.db2.gz YDVCHOYPJVTNJH-AAEUAGOBSA-N 1 0 394.331 1.631 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415361835 531479310 /nfs/dbraw/zinc/47/93/10/531479310.db2.gz OMCMZURWJSKODW-SFYZADRCSA-N 1 0 391.209 1.935 20 0 GDADRO Cc1oc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1S(N)(=O)=O ZINC000268158470 531479851 /nfs/dbraw/zinc/47/98/51/531479851.db2.gz SRDPJSSUYWMNMW-UHFFFAOYSA-N 1 0 387.527 1.327 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415371250 531480062 /nfs/dbraw/zinc/48/00/62/531480062.db2.gz SDECPTKKWUHQLO-UHFFFAOYSA-N 1 0 393.079 1.876 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415375075 531480610 /nfs/dbraw/zinc/48/06/10/531480610.db2.gz JUCGALKXADAOQC-SNVBAGLBSA-N 1 0 377.242 1.804 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000415376648 531481019 /nfs/dbraw/zinc/48/10/19/531481019.db2.gz ZBNAQBYNQHSUGA-SNVBAGLBSA-N 1 0 387.267 1.245 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000449961843 531481504 /nfs/dbraw/zinc/48/15/04/531481504.db2.gz WLJVIWSXBPETSX-UHFFFAOYSA-N 1 0 393.285 1.821 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415395402 531482244 /nfs/dbraw/zinc/48/22/44/531482244.db2.gz NTYVEGHLSMSSBN-MRVPVSSYSA-N 1 0 376.201 1.782 20 0 GDADRO CCCN(C(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)[C@H]1CC[NH2+]C1 ZINC000415396316 531482304 /nfs/dbraw/zinc/48/23/04/531482304.db2.gz UFCMJWFVWQEPCA-LBPRGKRZSA-N 1 0 387.889 1.283 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000415394974 531482499 /nfs/dbraw/zinc/48/24/99/531482499.db2.gz MYNNFSNLNHEPBM-SNVBAGLBSA-N 1 0 387.221 1.298 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415405030 531483227 /nfs/dbraw/zinc/48/32/27/531483227.db2.gz NSXILEPBEOIEOY-JTQLQIEISA-N 1 0 384.249 1.593 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415401504 531483313 /nfs/dbraw/zinc/48/33/13/531483313.db2.gz HKJUMKHQVZKEMB-LLVKDONJSA-N 1 0 398.276 1.983 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415417528 531484206 /nfs/dbraw/zinc/48/42/06/531484206.db2.gz MWPCFWRIXUZMHT-LLVKDONJSA-N 1 0 394.273 1.438 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])ccc1Br ZINC000415416294 531484593 /nfs/dbraw/zinc/48/45/93/531484593.db2.gz KCFGJBQOFDQRNG-QMMMGPOBSA-N 1 0 386.246 1.288 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2I)CC[C@@H]1[NH3+] ZINC000415428578 531484847 /nfs/dbraw/zinc/48/48/47/531484847.db2.gz CWWKCLXMQSLQGR-KOLCDFICSA-N 1 0 387.221 1.425 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1Br ZINC000415545554 531493420 /nfs/dbraw/zinc/49/34/20/531493420.db2.gz WIYNAAZDZFPZNC-VHSXEESVSA-N 1 0 398.257 1.370 20 0 GDADRO C[C@]1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCO[C@H]1C1CC1 ZINC000544178491 531485024 /nfs/dbraw/zinc/48/50/24/531485024.db2.gz ODVFPTUISHEKFK-HOTGVXAUSA-N 1 0 387.889 1.473 20 0 GDADRO Cn1ncc(C(=O)NCC[N@H+](C)Cc2ccccc2)c1I ZINC000294559337 531485558 /nfs/dbraw/zinc/48/55/58/531485558.db2.gz LLSOAZJEOMHOOW-UHFFFAOYSA-N 1 0 398.248 1.887 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415432780 531486117 /nfs/dbraw/zinc/48/61/17/531486117.db2.gz GEJKUANTLJYSAL-LLVKDONJSA-N 1 0 375.210 1.329 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000294589439 531486144 /nfs/dbraw/zinc/48/61/44/531486144.db2.gz UGQZZJUUVIZMLS-UHFFFAOYSA-N 1 0 396.289 1.728 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1ccc(C(F)(F)F)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000450122429 531486803 /nfs/dbraw/zinc/48/68/03/531486803.db2.gz OQDJJTUKXAICIE-LLVKDONJSA-N 1 0 381.420 1.615 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415468433 531488713 /nfs/dbraw/zinc/48/87/13/531488713.db2.gz WAOSNDRTLUDOFY-CABZTGNLSA-N 1 0 398.257 1.370 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000545153597 531489266 /nfs/dbraw/zinc/48/92/66/531489266.db2.gz OVDJNLQXMNATCN-OAHLLOKOSA-N 1 0 377.775 1.063 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1I ZINC000415480561 531490039 /nfs/dbraw/zinc/49/00/39/531490039.db2.gz JQFSCRDMMKVORI-LLVKDONJSA-N 1 0 387.221 1.488 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000415482739 531490150 /nfs/dbraw/zinc/49/01/50/531490150.db2.gz GIVXIIULVDPFLH-UHFFFAOYSA-N 1 0 375.878 1.316 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415526940 531491863 /nfs/dbraw/zinc/49/18/63/531491863.db2.gz QNFAPMGTGSMEFQ-SFYZADRCSA-N 1 0 376.201 1.862 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415540532 531492613 /nfs/dbraw/zinc/49/26/13/531492613.db2.gz YJLNLHLABVFEQV-UHFFFAOYSA-N 1 0 380.164 1.742 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415544158 531492632 /nfs/dbraw/zinc/49/26/32/531492632.db2.gz FPOXCZOLARZIOZ-UHFFFAOYSA-N 1 0 378.654 1.393 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415544378 531492754 /nfs/dbraw/zinc/49/27/54/531492754.db2.gz TXBITZDSRNFECC-SFYZADRCSA-N 1 0 376.201 1.862 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415540349 531492846 /nfs/dbraw/zinc/49/28/46/531492846.db2.gz OITDLXJPEMPHFY-UHFFFAOYSA-N 1 0 382.873 1.754 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[NH2+]1 ZINC000415663515 531510651 /nfs/dbraw/zinc/51/06/51/531510651.db2.gz RQBXAAGLSBWWHP-VXNVDRBHSA-N 1 0 376.201 1.923 20 0 GDADRO Cc1nc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(Br)s1 ZINC000557632565 531512206 /nfs/dbraw/zinc/51/22/06/531512206.db2.gz BIDTXIYMVUZBQH-SNVBAGLBSA-N 1 0 375.336 1.827 20 0 GDADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1nc2ncc(Br)cn2n1 ZINC000548732684 531513661 /nfs/dbraw/zinc/51/36/61/531513661.db2.gz SJIMRUSOEZPIFF-LLVKDONJSA-N 1 0 381.278 1.737 20 0 GDADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489944691 531513755 /nfs/dbraw/zinc/51/37/55/531513755.db2.gz ZWPZQWBAZRWZFG-CZUORRHYSA-N 1 0 381.318 1.756 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000658542262 531514124 /nfs/dbraw/zinc/51/41/24/531514124.db2.gz RPYQXCONDZHVTD-UHFFFAOYSA-N 1 0 376.284 1.646 20 0 GDADRO CS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000557767697 531519711 /nfs/dbraw/zinc/51/97/11/531519711.db2.gz GAFGUUHLPZAWJU-MRXNPFEDSA-N 1 0 382.551 1.742 20 0 GDADRO Cc1nnc2n1C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000557728429 531518560 /nfs/dbraw/zinc/51/85/60/531518560.db2.gz SQVPSYZGFXZWAI-UKRRQHHQSA-N 1 0 395.301 1.941 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)C1 ZINC000268313611 531493669 /nfs/dbraw/zinc/49/36/69/531493669.db2.gz ACACXIIIAMGGMX-AWEZNQCLSA-N 1 0 387.571 1.548 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415553996 531494392 /nfs/dbraw/zinc/49/43/92/531494392.db2.gz AVWHZXQMXFLVNG-HTQZYQBOSA-N 1 0 376.201 1.862 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)[C@H](C)C[NH2+]1 ZINC000415556857 531494423 /nfs/dbraw/zinc/49/44/23/531494423.db2.gz ITXBRNCOAJVEDQ-HTQZYQBOSA-N 1 0 376.201 1.875 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cccc(F)c1I ZINC000415553225 531494743 /nfs/dbraw/zinc/49/47/43/531494743.db2.gz OEJUKQKEDMTWOC-ZETCQYMHSA-N 1 0 379.173 1.222 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1Br ZINC000415557564 531494816 /nfs/dbraw/zinc/49/48/16/531494816.db2.gz JEAHPKUOLFGQTL-QWRGUYRKSA-N 1 0 384.274 1.995 20 0 GDADRO C[NH+](C)C1(CNC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CCC1 ZINC000280419474 531494966 /nfs/dbraw/zinc/49/49/66/531494966.db2.gz WUSXZASMWDFBQL-ZDUSSCGKSA-N 1 0 383.290 1.759 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415561636 531495351 /nfs/dbraw/zinc/49/53/51/531495351.db2.gz GIPMGLWGOVUPKB-YUMQZZPRSA-N 1 0 376.201 1.862 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415561338 531495379 /nfs/dbraw/zinc/49/53/79/531495379.db2.gz WDZPYRODXIXYEJ-NSHDSACASA-N 1 0 383.290 1.841 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000415566923 531495429 /nfs/dbraw/zinc/49/54/29/531495429.db2.gz WWGBTIIDACBVJW-CABZTGNLSA-N 1 0 375.878 1.978 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415565264 531495628 /nfs/dbraw/zinc/49/56/28/531495628.db2.gz OTJLIIBHTAXMFE-BDAKNGLRSA-N 1 0 388.251 1.927 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415580389 531498214 /nfs/dbraw/zinc/49/82/14/531498214.db2.gz RCKUKCBJVAKVOL-JTQLQIEISA-N 1 0 380.246 1.427 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000415580832 531498331 /nfs/dbraw/zinc/49/83/31/531498331.db2.gz FTROHQRXUUXDLF-JKOKRWQUSA-N 1 0 396.285 1.982 20 0 GDADRO COc1ccc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC000415582112 531498692 /nfs/dbraw/zinc/49/86/92/531498692.db2.gz OMTFPBCQJIDVQN-INIZCTEOSA-N 1 0 384.274 1.902 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000415584794 531498859 /nfs/dbraw/zinc/49/88/59/531498859.db2.gz TZDYGUQBAUXORK-SUHUHFCYSA-N 1 0 396.285 1.982 20 0 GDADRO O=C(NCC1(c2ccccc2Br)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000489514707 531500571 /nfs/dbraw/zinc/50/05/71/531500571.db2.gz ZPQPSXABMXCBCP-INIZCTEOSA-N 1 0 378.314 1.987 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000295071420 531518971 /nfs/dbraw/zinc/51/89/71/531518971.db2.gz PFRXSTPDRMQQEU-LLVKDONJSA-N 1 0 393.303 1.638 20 0 GDADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415599065 531501833 /nfs/dbraw/zinc/50/18/33/531501833.db2.gz LWSBREIJRZTQGP-JTQLQIEISA-N 1 0 390.665 1.536 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415608100 531502724 /nfs/dbraw/zinc/50/27/24/531502724.db2.gz FWUVHYYIIAEOLQ-SKDRFNHKSA-N 1 0 392.257 1.445 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415605956 531503285 /nfs/dbraw/zinc/50/32/85/531503285.db2.gz DANBWKYPTRAOJK-CABZTGNLSA-N 1 0 384.274 1.819 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CCO1 ZINC000415606352 531503506 /nfs/dbraw/zinc/50/35/06/531503506.db2.gz YPNQIKHLWVRAFK-SECBINFHSA-N 1 0 376.638 1.227 20 0 GDADRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280501610 531504430 /nfs/dbraw/zinc/50/44/30/531504430.db2.gz DWFJNLJIEYDHAQ-SECBINFHSA-N 1 0 390.303 1.273 20 0 GDADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000658409669 531505441 /nfs/dbraw/zinc/50/54/41/531505441.db2.gz FMTUIIXASODGGB-CQSZACIVSA-N 1 0 389.543 1.056 20 0 GDADRO COCCOCC[N@H+](C)CCC(=O)Nc1c[nH]cc(Br)c1=O ZINC000635742672 531506597 /nfs/dbraw/zinc/50/65/97/531506597.db2.gz HIARRNVORZATTO-UHFFFAOYSA-N 1 0 376.251 1.061 20 0 GDADRO [NH3+]C1(CNC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CCC1 ZINC000557018895 531507009 /nfs/dbraw/zinc/50/70/09/531507009.db2.gz HFBGUJKQUKVNHQ-UHFFFAOYSA-N 1 0 384.278 1.684 20 0 GDADRO O=C(c1occc1Br)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000581666595 531507038 /nfs/dbraw/zinc/50/70/38/531507038.db2.gz OTOIPZXLQGLQDH-OLZOCXBDSA-N 1 0 397.273 1.402 20 0 GDADRO C[NH+](C)CC1(C(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)CC1 ZINC000635750201 531507223 /nfs/dbraw/zinc/50/72/23/531507223.db2.gz LGJAWKUOLZEPMO-AWEZNQCLSA-N 1 0 380.286 1.790 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000581655377 531507429 /nfs/dbraw/zinc/50/74/29/531507429.db2.gz SLMFMWVKLHZUHR-UHFFFAOYSA-N 1 0 378.654 1.903 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000363774514 531508198 /nfs/dbraw/zinc/50/81/98/531508198.db2.gz ODWVNAYDONHIHQ-LSDHHAIUSA-N 1 0 396.285 1.675 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000415650129 531508225 /nfs/dbraw/zinc/50/82/25/531508225.db2.gz FFWIXPGOUBNRCX-MFKMUULPSA-N 1 0 384.274 1.901 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000658427126 531508391 /nfs/dbraw/zinc/50/83/91/531508391.db2.gz IBWSTPCCMXUXPL-SECBINFHSA-N 1 0 390.253 1.992 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415657699 531508599 /nfs/dbraw/zinc/50/85/99/531508599.db2.gz QGJBEYRXVVGUBW-WRWORJQWSA-N 1 0 376.201 1.780 20 0 GDADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@@H]1C[NH2+]CCO1 ZINC000557139739 531508704 /nfs/dbraw/zinc/50/87/04/531508704.db2.gz PEHOFJUUOCODBS-NSHDSACASA-N 1 0 386.246 1.008 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415659042 531509938 /nfs/dbraw/zinc/50/99/38/531509938.db2.gz RWBSWCPZRPKNLZ-LURJTMIESA-N 1 0 384.152 1.750 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000415725519 531520470 /nfs/dbraw/zinc/52/04/70/531520470.db2.gz MSRVFTSGLMUVQP-OAHLLOKOSA-N 1 0 395.301 1.202 20 0 GDADRO Cc1nc2sccn2c1C[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000268484054 531521038 /nfs/dbraw/zinc/52/10/38/531521038.db2.gz MCRDGDWACKPGEF-UHFFFAOYSA-N 1 0 377.392 1.914 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415741365 531522142 /nfs/dbraw/zinc/52/21/42/531522142.db2.gz IJCSRHORLWNRIJ-VXGBXAGGSA-N 1 0 396.285 1.854 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000415761118 531524893 /nfs/dbraw/zinc/52/48/93/531524893.db2.gz LDJRNJFSWPBASX-RYUDHWBXSA-N 1 0 396.285 1.854 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cc(I)ccc2F)CC1 ZINC000268506415 531525860 /nfs/dbraw/zinc/52/58/60/531525860.db2.gz JBOYTWOOPQLGPU-UHFFFAOYSA-N 1 0 392.212 1.617 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]([NH3+])CC ZINC000415779834 531528528 /nfs/dbraw/zinc/52/85/28/531528528.db2.gz BTLUYYVLFQBFBI-SNVBAGLBSA-N 1 0 386.246 1.418 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000415787903 531529398 /nfs/dbraw/zinc/52/93/98/531529398.db2.gz LNNUSZIMDWLFOV-QWRGUYRKSA-N 1 0 385.310 1.453 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415782646 531529853 /nfs/dbraw/zinc/52/98/53/531529853.db2.gz NFZJQEPAGCQQSY-AAEUAGOBSA-N 1 0 396.285 1.915 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC000415784213 531529934 /nfs/dbraw/zinc/52/99/34/531529934.db2.gz OPLHSRZSIZYUPW-ZWNOBZJWSA-N 1 0 382.258 1.607 20 0 GDADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)C(F)(F)F ZINC000415723171 531520252 /nfs/dbraw/zinc/52/02/52/531520252.db2.gz LWTAENPCEILJNF-LLVKDONJSA-N 1 0 388.456 1.160 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000658997165 531536988 /nfs/dbraw/zinc/53/69/88/531536988.db2.gz QJLXOOORLGHXLS-UHFFFAOYSA-N 1 0 382.408 1.728 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000582171033 531537665 /nfs/dbraw/zinc/53/76/65/531537665.db2.gz BHIYPAIICUNVEO-CYBMUJFWSA-N 1 0 388.299 1.456 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415829936 531539094 /nfs/dbraw/zinc/53/90/94/531539094.db2.gz FXLOQVAWMVYFLS-GXSJLCMTSA-N 1 0 398.257 1.418 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000415833338 531539581 /nfs/dbraw/zinc/53/95/81/531539581.db2.gz MWQASWQNZQLREJ-BXKDBHETSA-N 1 0 387.221 1.473 20 0 GDADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415836813 531539860 /nfs/dbraw/zinc/53/98/60/531539860.db2.gz AQUXKEYVLCRLGT-JTQLQIEISA-N 1 0 390.665 1.454 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000636199548 531540180 /nfs/dbraw/zinc/54/01/80/531540180.db2.gz BIMPRUGOIPEBJW-KWCYVHTRSA-N 1 0 382.448 1.733 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc2c(cc1Cl)OCCO2)C(F)(F)F ZINC000415837744 531540495 /nfs/dbraw/zinc/54/04/95/531540495.db2.gz NPIFXHPIXBDQAY-LLVKDONJSA-N 1 0 381.738 1.446 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Br)s1)N[C@@H]1CCC[NH2+]CC1 ZINC000364161899 531541055 /nfs/dbraw/zinc/54/10/55/531541055.db2.gz QKVZRSDDVRLHCH-SECBINFHSA-N 1 0 396.332 1.047 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1Br ZINC000415846956 531541677 /nfs/dbraw/zinc/54/16/77/531541677.db2.gz WHJXDHUGZHONMU-JTQLQIEISA-N 1 0 398.179 1.792 20 0 GDADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCCN2CCC(O)CC2)c1 ZINC000295227217 531543992 /nfs/dbraw/zinc/54/39/92/531543992.db2.gz BYWRAZIDVRWYGS-UHFFFAOYSA-N 1 0 390.889 1.252 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000415869747 531545948 /nfs/dbraw/zinc/54/59/48/531545948.db2.gz LIHDJGGHIYEVLW-QJPTWQEYSA-N 1 0 396.285 1.901 20 0 GDADRO CCC[N@H+](C)[C@H](CNC(=O)NC[C@H](C)S(N)(=O)=O)c1ccc(Cl)cc1 ZINC000558107664 531547361 /nfs/dbraw/zinc/54/73/61/531547361.db2.gz PBBURQRGVRUADI-SWLSCSKDSA-N 1 0 390.937 1.699 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415879269 531547646 /nfs/dbraw/zinc/54/76/46/531547646.db2.gz OPDMXOCDFUHBCN-UHFFFAOYSA-N 1 0 381.601 1.300 20 0 GDADRO [NH3+]CC1(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CCOCC1 ZINC000491060394 531548266 /nfs/dbraw/zinc/54/82/66/531548266.db2.gz WWAFLUWTAPOPNQ-UHFFFAOYSA-N 1 0 398.301 1.441 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000659486222 531548818 /nfs/dbraw/zinc/54/88/18/531548818.db2.gz AWXNAKHPRVMZMO-UHFFFAOYSA-N 1 0 381.420 1.988 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)n1 ZINC000659490040 531548835 /nfs/dbraw/zinc/54/88/35/531548835.db2.gz ORRSMPLACIHLND-QWHCGFSZSA-N 1 0 392.257 1.759 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659496231 531549148 /nfs/dbraw/zinc/54/91/48/531549148.db2.gz RYJDRMJMZGHHOQ-UHFFFAOYSA-N 1 0 376.910 1.305 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000415887591 531549765 /nfs/dbraw/zinc/54/97/65/531549765.db2.gz PHDIFTKLEOWGIY-UHFFFAOYSA-N 1 0 379.766 1.610 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCCn1cc(Br)cn1 ZINC000659679974 531550653 /nfs/dbraw/zinc/55/06/53/531550653.db2.gz SHAWSLMXZKXPDM-CYBMUJFWSA-N 1 0 388.310 1.032 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364264886 531551331 /nfs/dbraw/zinc/55/13/31/531551331.db2.gz GBCKAAQTQVZBBN-OAHLLOKOSA-N 1 0 380.286 1.876 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]Cc1ccc(I)cc1 ZINC000295268514 531552595 /nfs/dbraw/zinc/55/25/95/531552595.db2.gz VKDJGRDQUZAPLP-UHFFFAOYSA-N 1 0 382.267 1.709 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659691393 531552882 /nfs/dbraw/zinc/55/28/82/531552882.db2.gz PGTGNEMNKICVNU-CYBMUJFWSA-N 1 0 386.290 1.564 20 0 GDADRO C[NH2+]Cc1ccc(NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 ZINC000415987740 531552963 /nfs/dbraw/zinc/55/29/63/531552963.db2.gz YFBLTBHBIWEFMW-GFCCVEGCSA-N 1 0 382.408 1.350 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000582063344 531533084 /nfs/dbraw/zinc/53/30/84/531533084.db2.gz YCHVHUXTYWLPEA-QWRGUYRKSA-N 1 0 384.274 1.412 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[C@@H](C)[C@@H]([NH3+])C3)C2)s1 ZINC000658972699 531533918 /nfs/dbraw/zinc/53/39/18/531533918.db2.gz ANVCLFHPCCQNNX-YUELXQCFSA-N 1 0 385.555 1.653 20 0 GDADRO C[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000658972359 531534218 /nfs/dbraw/zinc/53/42/18/531534218.db2.gz AXQRKHKMGPEHAE-RISCZKNCSA-N 1 0 389.315 1.560 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])c1 ZINC000415809448 531534140 /nfs/dbraw/zinc/53/41/40/531534140.db2.gz PFNYEIVVELGDPH-DTWKUNHWSA-N 1 0 375.210 1.390 20 0 GDADRO C[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000658973450 531535074 /nfs/dbraw/zinc/53/50/74/531535074.db2.gz JVDHLJXPTPTTSD-RISCZKNCSA-N 1 0 389.315 1.560 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636092566 531535329 /nfs/dbraw/zinc/53/53/29/531535329.db2.gz SRZQGVVONRYWIN-GASCZTMLSA-N 1 0 380.286 1.922 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280759126 531536283 /nfs/dbraw/zinc/53/62/83/531536283.db2.gz FHOGXIFVYOMMOH-LLVKDONJSA-N 1 0 383.848 1.670 20 0 GDADRO Cc1csc(S(=O)(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000451149042 531555404 /nfs/dbraw/zinc/55/54/04/531555404.db2.gz RROXEPMRFVBPFI-UHFFFAOYSA-N 1 0 380.539 1.942 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc(Br)c1C ZINC000582845200 531555566 /nfs/dbraw/zinc/55/55/66/531555566.db2.gz KUZXBHKZILSENS-VHSXEESVSA-N 1 0 393.303 1.948 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659707032 531555682 /nfs/dbraw/zinc/55/56/82/531555682.db2.gz FVGIBCQZZXDWJG-KCCQOBMMSA-N 1 0 396.285 1.503 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(c3ncc(Br)cc3C(F)(F)F)CCN2C1=O ZINC000582857490 531556157 /nfs/dbraw/zinc/55/61/57/531556157.db2.gz ROGFCTRTAWPYOT-PSASIEDQSA-N 1 0 379.180 1.611 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000659727254 531556251 /nfs/dbraw/zinc/55/62/51/531556251.db2.gz JNLSIAGCPSFOSV-NWDGAFQWSA-N 1 0 387.311 1.884 20 0 GDADRO CN(C(=O)c1ccc(CCNS(C)(=O)=O)s1)C(C)(C)C[NH+]1CCCC1 ZINC000416096017 531556532 /nfs/dbraw/zinc/55/65/32/531556532.db2.gz OSYQSHJHIQKOCU-UHFFFAOYSA-N 1 0 387.571 1.786 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)C2 ZINC000659723690 531556988 /nfs/dbraw/zinc/55/69/88/531556988.db2.gz KHEHDGSVBKNYPD-AAEUAGOBSA-N 1 0 380.286 1.843 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000659749717 531558903 /nfs/dbraw/zinc/55/89/03/531558903.db2.gz BFNNSWOOGMWSCU-VHSXEESVSA-N 1 0 378.420 1.592 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000659754578 531558940 /nfs/dbraw/zinc/55/89/40/531558940.db2.gz VPLPZKROZVEDEL-BXUZGUMPSA-N 1 0 384.274 1.073 20 0 GDADRO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000492067553 531559090 /nfs/dbraw/zinc/55/90/90/531559090.db2.gz MQNWVUPJKWOMES-HOTGVXAUSA-N 1 0 376.567 1.658 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CC2CCS(=O)(=O)CC2)C1 ZINC000553533956 531564067 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COCC[N@H+](C)CCNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000364497410 531570976 /nfs/dbraw/zinc/57/09/76/531570976.db2.gz VZRIGLWQVOKYFJ-UHFFFAOYSA-N 1 0 387.933 1.948 20 0 GDADRO CC(C)O[C@@]1(CS(=O)(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC000659925847 531571528 /nfs/dbraw/zinc/57/15/28/531571528.db2.gz RDNHJYWHZCWIRT-MHORFTMASA-N 1 0 376.563 1.856 20 0 GDADRO CN(C)c1ncc(C[NH2+]C[C@H](O)COc2ccccc2Br)cn1 ZINC000268799420 531571887 /nfs/dbraw/zinc/57/18/87/531571887.db2.gz PICBKRBDKUBSJJ-ZDUSSCGKSA-N 1 0 381.274 1.835 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000583380754 531573658 /nfs/dbraw/zinc/57/36/58/531573658.db2.gz CUZXPDKJBNNNJE-LLVKDONJSA-N 1 0 395.319 1.880 20 0 GDADRO CC[NH2+]CCCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000583371244 531574441 /nfs/dbraw/zinc/57/44/41/531574441.db2.gz MWSRDVVFFZJSMD-CQSZACIVSA-N 1 0 383.290 1.853 20 0 GDADRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000493572782 531577231 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1.960 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)C(=O)N1CCCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000637117693 531605899 /nfs/dbraw/zinc/60/58/99/531605899.db2.gz AENBCSZDNDGARW-OAHLLOKOSA-N 1 0 388.295 1.961 20 0 GDADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614850464 531606895 /nfs/dbraw/zinc/60/68/95/531606895.db2.gz YRPSDJZBUUJKEV-GOEBONIOSA-N 1 0 387.318 1.683 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000637124202 531607770 /nfs/dbraw/zinc/60/77/70/531607770.db2.gz LNQCSLPOBKFBBC-NOZJJQNGSA-N 1 0 388.237 1.388 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000269103808 531608711 /nfs/dbraw/zinc/60/87/11/531608711.db2.gz AUBBKICXPGQDMW-ZDUSSCGKSA-N 1 0 375.288 1.184 20 0 GDADRO CO[C@]1(C(F)(F)F)CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000614925014 531609196 /nfs/dbraw/zinc/60/91/96/531609196.db2.gz RIFZXRWDHVEAQL-LLVKDONJSA-N 1 0 379.301 1.808 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H](C)[C@@H](C)CO ZINC000295703573 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CCN(C(=O)C[NH2+][C@H](C)c1ccc2ncsc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000562323616 531747917 /nfs/dbraw/zinc/74/79/17/531747917.db2.gz AXIZLPMXUGRJHB-TZMCWYRMSA-N 1 0 381.523 1.983 20 0 GDADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@]2(CCSC2)C1)S(C)(=O)=O ZINC000451977604 531733758 /nfs/dbraw/zinc/73/37/58/531733758.db2.gz NNAIQXGHZYGDLT-QGZVFWFLSA-N 1 0 391.603 1.382 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000666186343 531753533 /nfs/dbraw/zinc/75/35/33/531753533.db2.gz RBKLIEMZOJDUBX-BDAKNGLRSA-N 1 0 380.297 1.818 20 0 GDADRO O=C1NCCC[C@@H]1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000666186855 531753723 /nfs/dbraw/zinc/75/37/23/531753723.db2.gz VTFOXPQSGSPXRX-ZWNOBZJWSA-N 1 0 387.299 1.783 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000366530872 531756198 /nfs/dbraw/zinc/75/61/98/531756198.db2.gz RIGZHQVCMMQTIF-PJXYFTJBSA-N 1 0 383.520 1.236 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417204920 531756964 /nfs/dbraw/zinc/75/69/64/531756964.db2.gz GQZZOGLDPIGBNQ-GXTWGEPZSA-N 1 0 397.317 1.948 20 0 GDADRO CCCN(C(=O)NCCNC(=O)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000417204936 531757077 /nfs/dbraw/zinc/75/70/77/531757077.db2.gz GTDUTAGLOHVXAW-OAHLLOKOSA-N 1 0 397.317 1.962 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417195436 531757199 /nfs/dbraw/zinc/75/71/99/531757199.db2.gz GOLONLNXRVNSIQ-HNNXBMFYSA-N 1 0 385.281 1.777 20 0 GDADRO O=C(NCc1cn2cc(Br)ccc2n1)NC[C@H]1C[NH2+]CCCO1 ZINC000417210764 531758948 /nfs/dbraw/zinc/75/89/48/531758948.db2.gz DLGOXYCTWUKEKJ-CYBMUJFWSA-N 1 0 382.262 1.275 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)Nc1cn(C)cc(Br)c1=O ZINC000666688843 531760012 /nfs/dbraw/zinc/76/00/12/531760012.db2.gz YDSYAISFZZUCFQ-UHFFFAOYSA-N 1 0 375.267 1.238 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417215473 531760326 /nfs/dbraw/zinc/76/03/26/531760326.db2.gz XAFKFHSSVOXSIW-DGCLKSJQSA-N 1 0 383.290 1.558 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCc1ccc(Br)cc1)C2 ZINC000621841587 531760741 /nfs/dbraw/zinc/76/07/41/531760741.db2.gz XEJPDSQWDBCXLL-DYVFJYSZSA-N 1 0 380.286 1.448 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2c(cc1Br)OCO2 ZINC000621958119 531762873 /nfs/dbraw/zinc/76/28/73/531762873.db2.gz UCZJLURKELDBBX-LBPRGKRZSA-N 1 0 398.301 1.934 20 0 GDADRO Brc1cccc(OCCn2cc(CCN3CC[NH2+]CC3)nn2)c1 ZINC000640797226 531764686 /nfs/dbraw/zinc/76/46/86/531764686.db2.gz YQXRBJRQIJTMTQ-UHFFFAOYSA-N 1 0 380.290 1.567 20 0 GDADRO COC[C@]1(CNC(=O)NCCNc2ncc(Cl)cc2Cl)CCC[NH2+]1 ZINC000417057670 531750988 /nfs/dbraw/zinc/75/09/88/531750988.db2.gz CBQOAYYMOMDNIP-OAHLLOKOSA-N 1 0 376.288 1.868 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000667399556 531780291 /nfs/dbraw/zinc/78/02/91/531780291.db2.gz IBFVPIWYVJNWQK-PRHODGIISA-N 1 0 379.766 1.872 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC=C(Br)C1 ZINC000282651240 531780628 /nfs/dbraw/zinc/78/06/28/531780628.db2.gz JCDNOFKBWBOJDF-CQSZACIVSA-N 1 0 387.322 1.623 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000417579294 531780568 /nfs/dbraw/zinc/78/05/68/531780568.db2.gz AGWAXYHKDZDADE-CYBMUJFWSA-N 1 0 399.333 1.952 20 0 GDADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1[nH]nc2ccc(I)cc21 ZINC000592338645 531780901 /nfs/dbraw/zinc/78/09/01/531780901.db2.gz YNDUTVKOTLGAQV-CBAPKCEASA-N 1 0 388.184 1.597 20 0 GDADRO CC[NH2+]CCNC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000417580558 531781120 /nfs/dbraw/zinc/78/11/20/531781120.db2.gz DDYADWWJVWJVBT-UHFFFAOYSA-N 1 0 385.306 1.706 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000562816524 531781289 /nfs/dbraw/zinc/78/12/89/531781289.db2.gz UHDMGBOQLRFZPQ-KBPBESRZSA-N 1 0 381.274 1.384 20 0 GDADRO O=C(NCc1cc(Br)ccc1OC(F)F)NC[C@@H]1C[NH2+]CCO1 ZINC000417406373 531768032 /nfs/dbraw/zinc/76/80/32/531768032.db2.gz KZHGZYVWSHEWMK-NSHDSACASA-N 1 0 394.216 1.838 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417416560 531768296 /nfs/dbraw/zinc/76/82/96/531768296.db2.gz FRXPKLCXWKIAIE-YPMHNXCESA-N 1 0 383.290 1.558 20 0 GDADRO C[C@@H]1CN(C(=O)NCCCNC(=O)c2cccc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000417434830 531769491 /nfs/dbraw/zinc/76/94/91/531769491.db2.gz MLNOFTHQCIZQSG-OLZOCXBDSA-N 1 0 397.317 1.961 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000667663944 531783057 /nfs/dbraw/zinc/78/30/57/531783057.db2.gz HBSFHEKIDWVMKF-ZDUSSCGKSA-N 1 0 397.321 1.551 20 0 GDADRO [NH3+]CC1CCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)CC1 ZINC000417437073 531771724 /nfs/dbraw/zinc/77/17/24/531771724.db2.gz PWHIUDMRFGFICA-UHFFFAOYSA-N 1 0 397.317 1.949 20 0 GDADRO O=C(NCCc1ccc(I)s1)NC[C@@H]1CCC[NH2+]1 ZINC000417436380 531771946 /nfs/dbraw/zinc/77/19/46/531771946.db2.gz DOUBNJORBPBWDI-VIFPVBQESA-N 1 0 379.267 1.946 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417587417 531783112 /nfs/dbraw/zinc/78/31/12/531783112.db2.gz SCHDWFUZYJFVII-HNNXBMFYSA-N 1 0 397.317 1.834 20 0 GDADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452362563 531772971 /nfs/dbraw/zinc/77/29/71/531772971.db2.gz BSSFILFQKOGFRY-NSHDSACASA-N 1 0 382.814 1.827 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(I)cc1 ZINC000452354293 531773234 /nfs/dbraw/zinc/77/32/34/531773234.db2.gz VKZNKBPVCNWZFJ-CQSZACIVSA-N 1 0 388.249 1.868 20 0 GDADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000667246879 531773252 /nfs/dbraw/zinc/77/32/52/531773252.db2.gz SRNXRBQEJKVURH-LBPRGKRZSA-N 1 0 386.543 1.856 20 0 GDADRO COc1ccc(Br)c(CC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000452364039 531773308 /nfs/dbraw/zinc/77/33/08/531773308.db2.gz AFWHARPVWCZRHR-CQSZACIVSA-N 1 0 385.302 1.963 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Br)cc2[nH]cnc21 ZINC000452360732 531773518 /nfs/dbraw/zinc/77/35/18/531773518.db2.gz JACBFFPLMJPKIB-LBPRGKRZSA-N 1 0 381.274 1.902 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000641034123 531773783 /nfs/dbraw/zinc/77/37/83/531773783.db2.gz QLMQHNWBIVJDSX-WFASDCNBSA-N 1 0 395.301 1.774 20 0 GDADRO [NH3+]Cc1cnn(Cc2cn(CCOc3ccccc3Br)nn2)c1 ZINC000641057545 531775539 /nfs/dbraw/zinc/77/55/39/531775539.db2.gz CZSUEFMPDWRCCK-UHFFFAOYSA-N 1 0 377.246 1.823 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417475114 531776149 /nfs/dbraw/zinc/77/61/49/531776149.db2.gz ATLRBLGQNXJXAL-CQSZACIVSA-N 1 0 383.290 1.702 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417493631 531778414 /nfs/dbraw/zinc/77/84/14/531778414.db2.gz WLKSWVJUOKQGQK-QWHCGFSZSA-N 1 0 397.317 1.948 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417494777 531778427 /nfs/dbraw/zinc/77/84/27/531778427.db2.gz YQGBRERSEMFBGR-KRWDZBQOSA-N 1 0 397.317 1.949 20 0 GDADRO C[C@](C[NH3+])(NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1)C1CC1 ZINC000562764407 531778595 /nfs/dbraw/zinc/77/85/95/531778595.db2.gz MMJXJSVSVKFMEA-MRXNPFEDSA-N 1 0 398.305 1.930 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NCC2([NH3+])CCC2)s1 ZINC000417521710 531779979 /nfs/dbraw/zinc/77/99/79/531779979.db2.gz ZQBXWFYOLYJAQD-UHFFFAOYSA-N 1 0 388.559 1.502 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1F ZINC000667400745 531780122 /nfs/dbraw/zinc/78/01/22/531780122.db2.gz WGZBETABAOHFJZ-JOYOIKCWSA-N 1 0 388.237 1.410 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1cncc(Br)c1 ZINC000269852174 531783654 /nfs/dbraw/zinc/78/36/54/531783654.db2.gz ZRMPMWQSJQLRMG-ZDUSSCGKSA-N 1 0 392.319 1.359 20 0 GDADRO COCC[NH2+]CCc1cn(Cc2nc3ccc(Br)cc3n2C)nn1 ZINC000641176180 531783852 /nfs/dbraw/zinc/78/38/52/531783852.db2.gz XLEZQFKHQLVMMH-UHFFFAOYSA-N 1 0 393.289 1.754 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000592435107 531785012 /nfs/dbraw/zinc/78/50/12/531785012.db2.gz RNTBKEMRFZYBGZ-AWEZNQCLSA-N 1 0 384.267 1.911 20 0 GDADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641218820 531786236 /nfs/dbraw/zinc/78/62/36/531786236.db2.gz ASBSOEGIPFJHKJ-OAHLLOKOSA-N 1 0 386.283 1.430 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000641219976 531786325 /nfs/dbraw/zinc/78/63/25/531786325.db2.gz KQFAPDCKJNCGLB-TZMCWYRMSA-N 1 0 375.256 1.541 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(C[C@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000641206100 531787289 /nfs/dbraw/zinc/78/72/89/531787289.db2.gz ZTHSHHQTFADGTB-JQWIXIFHSA-N 1 0 375.256 1.541 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000622893340 531787942 /nfs/dbraw/zinc/78/79/42/531787942.db2.gz VKSFKSLVCZYTEW-KLPPZKSPSA-N 1 0 379.262 1.495 20 0 GDADRO CC(C)c1csc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000417896162 531789094 /nfs/dbraw/zinc/78/90/94/531789094.db2.gz HFLXZNOKSHPFFN-GFCCVEGCSA-N 1 0 379.452 1.902 20 0 GDADRO CC(C)([NH3+])CNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417905940 531789114 /nfs/dbraw/zinc/78/91/14/531789114.db2.gz DOKATWOVXOEWKM-UHFFFAOYSA-N 1 0 385.306 1.822 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417893481 531789158 /nfs/dbraw/zinc/78/91/58/531789158.db2.gz NYAVJONKFXWQTQ-HUUCEWRRSA-N 1 0 383.334 1.973 20 0 GDADRO C[NH+](C)CCc1cn(C[C@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641230127 531789479 /nfs/dbraw/zinc/78/94/79/531789479.db2.gz WPXFBGHZSRXOET-AWEZNQCLSA-N 1 0 387.253 1.724 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NCCOc1ncc(Cl)cc1Cl ZINC000417888954 531789669 /nfs/dbraw/zinc/78/96/69/531789669.db2.gz MTXJBWWGOCHCAT-UHFFFAOYSA-N 1 0 376.288 1.362 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc2c(cc1Br)OCCCO2 ZINC000592486525 531790140 /nfs/dbraw/zinc/79/01/40/531790140.db2.gz ITMJYSIZLJRDIW-AWEZNQCLSA-N 1 0 399.285 1.947 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H]1CCCO1 ZINC000562935759 531790187 /nfs/dbraw/zinc/79/01/87/531790187.db2.gz WJZYNEFVSJICNS-CQSZACIVSA-N 1 0 375.512 1.413 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(OC)c(OC)c1Br ZINC000592487051 531790775 /nfs/dbraw/zinc/79/07/75/531790775.db2.gz AAYSWUWWIDYCHI-LBPRGKRZSA-N 1 0 387.274 1.803 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCCC1)c1cnn2cc(Br)cnc12 ZINC000641260234 531790877 /nfs/dbraw/zinc/79/08/77/531790877.db2.gz AUGSUFQWTBTHAO-UHFFFAOYSA-N 1 0 388.291 1.256 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417916514 531790910 /nfs/dbraw/zinc/79/09/10/531790910.db2.gz VKJVBFXIOMSYIY-VXGBXAGGSA-N 1 0 385.306 1.821 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000297452599 531793732 /nfs/dbraw/zinc/79/37/32/531793732.db2.gz AHRXODVLIHHPQP-UHFFFAOYSA-N 1 0 382.302 1.960 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000297460680 531793964 /nfs/dbraw/zinc/79/39/64/531793964.db2.gz ATBIZKOCUREKOV-KRWDZBQOSA-N 1 0 398.301 1.945 20 0 GDADRO CN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)C1(C[NH3+])CCC1 ZINC000562980076 531794605 /nfs/dbraw/zinc/79/46/05/531794605.db2.gz KCIOAIASJGHSIV-UHFFFAOYSA-N 1 0 393.285 1.889 20 0 GDADRO O=C(NCC[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccco1 ZINC000562984176 531794986 /nfs/dbraw/zinc/79/49/86/531794986.db2.gz DIKSDMLWKCQVPZ-CYBMUJFWSA-N 1 0 383.242 1.801 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000562990077 531795296 /nfs/dbraw/zinc/79/52/96/531795296.db2.gz DJUMVDWAAFNZNM-XYPHTWIQSA-N 1 0 387.318 1.808 20 0 GDADRO C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000563010926 531796524 /nfs/dbraw/zinc/79/65/24/531796524.db2.gz CQGHIEXAPDKZBK-INIZCTEOSA-N 1 0 384.318 1.082 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000418130811 531803367 /nfs/dbraw/zinc/80/33/67/531803367.db2.gz XBMQGAXYRZWZKH-JLJPHGGASA-N 1 0 393.329 1.994 20 0 GDADRO COC(=O)CNC(=O)[C@H]1CCCN1Cc1cc2c(cc1Br)OCO2 ZINC000418131941 531803412 /nfs/dbraw/zinc/80/34/12/531803412.db2.gz YNVJVJJFKURKMK-GFCCVEGCSA-N 1 0 399.241 1.431 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cc(OC)ns2)[C@@H](C)C1 ZINC000641330610 531806323 /nfs/dbraw/zinc/80/63/23/531806323.db2.gz POHVLOMGEYFVTK-DZGCQCFKSA-N 1 0 391.559 1.708 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418155936 531807213 /nfs/dbraw/zinc/80/72/13/531807213.db2.gz ADKUMFHBCNKDQD-ZYHUDNBSSA-N 1 0 392.884 1.184 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)NCC[C@@H]1CC[NH2+]C1 ZINC000418157922 531808887 /nfs/dbraw/zinc/80/88/87/531808887.db2.gz BWKDRUHVCWDULH-NSHDSACASA-N 1 0 392.884 1.056 20 0 GDADRO CS(=O)(=O)c1cc(CNC(=O)N[C@H](C[NH3+])C2CC2)cc(C(F)(F)F)c1 ZINC000418158123 531809581 /nfs/dbraw/zinc/80/95/81/531809581.db2.gz CLERGLANIVOVQR-CYBMUJFWSA-N 1 0 379.404 1.645 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000269942646 531810370 /nfs/dbraw/zinc/81/03/70/531810370.db2.gz FTNHKYBOEPXWRG-UHFFFAOYSA-N 1 0 375.878 1.288 20 0 GDADRO COCC[NH2+]CCNC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418166149 531810561 /nfs/dbraw/zinc/81/05/61/531810561.db2.gz UAAALMPCZMYXHQ-LBPRGKRZSA-N 1 0 376.226 1.557 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCC1=CC[NH2+]CC1 ZINC000418176052 531812996 /nfs/dbraw/zinc/81/29/96/531812996.db2.gz BHXBSBMNQPWELI-UHFFFAOYSA-N 1 0 386.905 1.146 20 0 GDADRO CCC[NH2+]CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000515847671 531813325 /nfs/dbraw/zinc/81/33/25/531813325.db2.gz CWPZVVUQMPRWHQ-LLVKDONJSA-N 1 0 381.420 1.488 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000418181569 531814014 /nfs/dbraw/zinc/81/40/14/531814014.db2.gz IQTDTNNYMIPRQM-MRXNPFEDSA-N 1 0 388.921 1.307 20 0 GDADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418226870 531815502 /nfs/dbraw/zinc/81/55/02/531815502.db2.gz BPYKMMHDHLFDSK-CZUORRHYSA-N 1 0 385.917 1.897 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C1CCCCC1 ZINC000418357973 531823544 /nfs/dbraw/zinc/82/35/44/531823544.db2.gz IDMZRSMQHNGVPJ-ZIAGYGMSSA-N 1 0 389.543 1.090 20 0 GDADRO [NH3+]C[C@H](NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CC1 ZINC000418395752 531824503 /nfs/dbraw/zinc/82/45/03/531824503.db2.gz HQEZNXWXYRPSLZ-HNNXBMFYSA-N 1 0 395.301 1.654 20 0 GDADRO CN(CCNC(=O)NC[C@H]1CCCC[N@H+](C)C1)S(=O)(=O)c1cccs1 ZINC000623785503 531825019 /nfs/dbraw/zinc/82/50/19/531825019.db2.gz VZTLZCIVXIWDAJ-CQSZACIVSA-N 1 0 388.559 1.400 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000418461889 531826149 /nfs/dbraw/zinc/82/61/49/531826149.db2.gz ASXPFFAXWNLOLY-RYUDHWBXSA-N 1 0 398.305 1.799 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)N(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000418442035 531826447 /nfs/dbraw/zinc/82/64/47/531826447.db2.gz SJSCFWOUAURKQP-CQSZACIVSA-N 1 0 376.567 1.596 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=O)NC[C@@H](C)C[NH3+])cc1Br ZINC000418481384 531826761 /nfs/dbraw/zinc/82/67/61/531826761.db2.gz DHFHHTHCKSXGNP-AAEUAGOBSA-N 1 0 388.306 1.503 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000418492199 531826781 /nfs/dbraw/zinc/82/67/81/531826781.db2.gz PGDQJKFMVQHGFN-GHMZBOCLSA-N 1 0 376.270 1.633 20 0 GDADRO CN(C(=O)c1cc(S(C)(=O)=O)cs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367303359 531826758 /nfs/dbraw/zinc/82/67/58/531826758.db2.gz RXKYFSPTSIPLFB-AWEZNQCLSA-N 1 0 385.555 1.392 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000418442032 531826907 /nfs/dbraw/zinc/82/69/07/531826907.db2.gz SJSCFWOUAURKQP-AWEZNQCLSA-N 1 0 376.567 1.596 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCSC[C@H]3c3nccs3)C2)C1 ZINC000297854054 531827287 /nfs/dbraw/zinc/82/72/87/531827287.db2.gz SIYPJXZXJLNSFP-GUYCJALGSA-N 1 0 380.539 1.314 20 0 GDADRO Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)s1 ZINC000367298456 531827852 /nfs/dbraw/zinc/82/78/52/531827852.db2.gz KYSQNCDRBWRQRR-AWEZNQCLSA-N 1 0 385.555 1.532 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)NC[C@@H](C)[NH3+] ZINC000641471597 531828844 /nfs/dbraw/zinc/82/88/44/531828844.db2.gz HIIZPEBHGXGDAT-SECBINFHSA-N 1 0 377.308 1.506 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1(c2cccc(Br)c2)CC1 ZINC000670408887 531829696 /nfs/dbraw/zinc/82/96/96/531829696.db2.gz YXOOVSFCCLUCMY-MRXNPFEDSA-N 1 0 378.314 1.987 20 0 GDADRO Cc1cc(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000418281325 531820052 /nfs/dbraw/zinc/82/00/52/531820052.db2.gz NSZAPYZISNRRBA-HNNXBMFYSA-N 1 0 381.318 1.947 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000367210317 531820718 /nfs/dbraw/zinc/82/07/18/531820718.db2.gz CAVPZDORJSUXDW-ZIAGYGMSSA-N 1 0 384.274 1.529 20 0 GDADRO CCS(=O)(=O)NCCC[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000270004845 531820969 /nfs/dbraw/zinc/82/09/69/531820969.db2.gz IRHXZVBLBVJWHU-UHFFFAOYSA-N 1 0 392.543 1.120 20 0 GDADRO CC1(CC(F)(F)F)CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418622822 531833033 /nfs/dbraw/zinc/83/30/33/531833033.db2.gz WFHUPWSVHQFJQC-JTQLQIEISA-N 1 0 376.345 1.806 20 0 GDADRO COC[C@@]1(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)CCC[NH2+]1 ZINC000418630040 531833376 /nfs/dbraw/zinc/83/33/76/531833376.db2.gz DTAFRRVPNICIAH-ZBFHGGJFSA-N 1 0 386.290 1.550 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418678681 531834713 /nfs/dbraw/zinc/83/47/13/531834713.db2.gz WGKXUMSEKYCXPD-ZSHCYNCHSA-N 1 0 379.302 1.494 20 0 GDADRO O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418682053 531834798 /nfs/dbraw/zinc/83/47/98/531834798.db2.gz ZFXSVNITIZOGQV-UUIJZJDISA-N 1 0 386.265 1.256 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000418766520 531837619 /nfs/dbraw/zinc/83/76/19/531837619.db2.gz MXJKSXFIHMSGDL-CYBMUJFWSA-N 1 0 376.284 1.876 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418752445 531837815 /nfs/dbraw/zinc/83/78/15/531837815.db2.gz BVDGKHHCYJUXIS-AWEZNQCLSA-N 1 0 385.306 1.373 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(OC)ccc1Br ZINC000418783202 531839954 /nfs/dbraw/zinc/83/99/54/531839954.db2.gz OHGKLMLVBIJCBL-CYBMUJFWSA-N 1 0 398.301 1.674 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(OC)ccc1Br ZINC000418783203 531840015 /nfs/dbraw/zinc/84/00/15/531840015.db2.gz OHGKLMLVBIJCBL-ZDUSSCGKSA-N 1 0 398.301 1.674 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1F ZINC000283116764 531830876 /nfs/dbraw/zinc/83/08/76/531830876.db2.gz HFEMUBDDRVHHSL-MRXNPFEDSA-N 1 0 389.518 1.243 20 0 GDADRO C[C@H]1OCC[C@@]12CN(CCS(=O)(=O)CC(=O)OC(C)(C)C)C[C@@H](C)O2 ZINC000367357580 531830928 /nfs/dbraw/zinc/83/09/28/531830928.db2.gz XJWLQOUOSCXIBV-CKEIUWERSA-N 1 0 377.503 1.011 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H](O)COc2ccccc2Br)C1 ZINC000418578182 531832117 /nfs/dbraw/zinc/83/21/17/531832117.db2.gz ZXMVSIGWNREJEA-JHJVBQTASA-N 1 0 386.290 1.758 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000297891609 531832518 /nfs/dbraw/zinc/83/25/18/531832518.db2.gz OPEAKTLDRPXCPQ-GFCCVEGCSA-N 1 0 382.258 1.473 20 0 GDADRO COC[C@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CCOCC1 ZINC000367621816 531849937 /nfs/dbraw/zinc/84/99/37/531849937.db2.gz UHHNBESAUUITRG-ZBFHGGJFSA-N 1 0 388.555 1.790 20 0 GDADRO COC[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CCOCC1 ZINC000367621815 531850402 /nfs/dbraw/zinc/85/04/02/531850402.db2.gz UHHNBESAUUITRG-HOCLYGCPSA-N 1 0 388.555 1.790 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000624565509 531850456 /nfs/dbraw/zinc/85/04/56/531850456.db2.gz BJHVKINMLZUQLN-OAHLLOKOSA-N 1 0 387.933 1.997 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418838333 531850895 /nfs/dbraw/zinc/85/08/95/531850895.db2.gz UZKXFLZTKDQGTD-SOUVJXGZSA-N 1 0 382.302 1.911 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](CO)COC ZINC000641751466 531851383 /nfs/dbraw/zinc/85/13/83/531851383.db2.gz YDOWEFKDLPESMT-GXFFZTMASA-N 1 0 375.263 1.059 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418841871 531851827 /nfs/dbraw/zinc/85/18/27/531851827.db2.gz FURUIQCTSDSXGN-LBPRGKRZSA-N 1 0 386.265 1.505 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000418845279 531851874 /nfs/dbraw/zinc/85/18/74/531851874.db2.gz OEXROPXELMHUCZ-ZDUSSCGKSA-N 1 0 393.285 1.409 20 0 GDADRO CC(C)([NH3+])CCNS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000641806662 531853568 /nfs/dbraw/zinc/85/35/68/531853568.db2.gz CKIDGXQZBOFJJB-UHFFFAOYSA-N 1 0 379.276 1.626 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)NC/C=C\C[NH3+] ZINC000641861556 531854358 /nfs/dbraw/zinc/85/43/58/531854358.db2.gz BXILVWKQBZFGDA-DLGQBQFBSA-N 1 0 386.290 1.423 20 0 GDADRO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000624389470 531840375 /nfs/dbraw/zinc/84/03/75/531840375.db2.gz BUKWKCTZZLVKSG-WCQYABFASA-N 1 0 379.404 1.194 20 0 GDADRO CCOc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1Br ZINC000624387135 531840543 /nfs/dbraw/zinc/84/05/43/531840543.db2.gz HKEAVYWDUMUUQV-UHFFFAOYSA-N 1 0 393.303 1.634 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC[C@@H]1C(F)(F)F ZINC000624389687 531841387 /nfs/dbraw/zinc/84/13/87/531841387.db2.gz HVRLAAONNLOHMF-JQWIXIFHSA-N 1 0 380.388 1.606 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cc(Cl)ccc2Br)CCOCC1 ZINC000624387467 531841648 /nfs/dbraw/zinc/84/16/48/531841648.db2.gz RDRZNOSBUMVKTO-UHFFFAOYSA-N 1 0 383.695 1.889 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418806290 531842712 /nfs/dbraw/zinc/84/27/12/531842712.db2.gz IARFTHLBQUZXRT-COPLHBTASA-N 1 0 384.249 1.429 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418808989 531842908 /nfs/dbraw/zinc/84/29/08/531842908.db2.gz MCIXMZWGTGTWTH-LEWSCRJBSA-N 1 0 386.265 1.660 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000418812331 531844149 /nfs/dbraw/zinc/84/41/49/531844149.db2.gz RJHJPEYBHUMOKF-LNFKQOIKSA-N 1 0 386.315 1.678 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418810167 531844233 /nfs/dbraw/zinc/84/42/33/531844233.db2.gz OBJXNWUIUMIIKG-GMTAPVOTSA-N 1 0 386.315 1.599 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418810193 531844288 /nfs/dbraw/zinc/84/42/88/531844288.db2.gz OEDDPPCYXUQSND-HBNTYKKESA-N 1 0 386.315 1.599 20 0 GDADRO [NH3+]CCCOCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000624408219 531844903 /nfs/dbraw/zinc/84/49/03/531844903.db2.gz JZSQGGQGFROVAO-CYBMUJFWSA-N 1 0 392.905 1.399 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418813866 531844925 /nfs/dbraw/zinc/84/49/25/531844925.db2.gz UIMGOMQCFSEMPC-COPLHBTASA-N 1 0 384.249 1.429 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccc(F)cc2Br)CC1 ZINC000418814974 531845134 /nfs/dbraw/zinc/84/51/34/531845134.db2.gz JZSQOGGMFBHBPU-SNVBAGLBSA-N 1 0 386.265 1.790 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000624411951 531845156 /nfs/dbraw/zinc/84/51/56/531845156.db2.gz BBRDMHCWHBXFKP-CALCHBBNSA-N 1 0 386.539 1.490 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418818241 531845841 /nfs/dbraw/zinc/84/58/41/531845841.db2.gz BTJILYQJODZYSG-DZGCQCFKSA-N 1 0 378.270 1.457 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CCC[NH2+]C1 ZINC000418823841 531846443 /nfs/dbraw/zinc/84/64/43/531846443.db2.gz ITPIJUXMCLHFGH-JCKWVBRZSA-N 1 0 394.313 1.927 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000418934715 531865983 /nfs/dbraw/zinc/86/59/83/531865983.db2.gz KOZVJMUZFIHWNI-UHFFFAOYSA-N 1 0 398.301 1.422 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418933876 531866243 /nfs/dbraw/zinc/86/62/43/531866243.db2.gz JISSVAPGOBRGMS-UHFFFAOYSA-N 1 0 382.302 1.841 20 0 GDADRO Cc1ccc(F)c(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000563975553 531866801 /nfs/dbraw/zinc/86/68/01/531866801.db2.gz VUPZYEKTRSPUNG-AWEZNQCLSA-N 1 0 392.518 1.264 20 0 GDADRO O=c1c(Br)c(N2CC[C@H]3CC[NH2+][C@@H]3C2)cnn1-c1ccccn1 ZINC000643031519 531866888 /nfs/dbraw/zinc/86/68/88/531866888.db2.gz QTUUTRRVTKFTAD-VXGBXAGGSA-N 1 0 376.258 1.578 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642979560 531867195 /nfs/dbraw/zinc/86/71/95/531867195.db2.gz BHFCILSQSCGFQN-AWEZNQCLSA-N 1 0 398.301 1.545 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)[C@@H](C[NH3+])C1 ZINC000418942700 531869339 /nfs/dbraw/zinc/86/93/39/531869339.db2.gz LPMYYKQFAATMFK-VXGBXAGGSA-N 1 0 388.295 1.617 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643069522 531868552 /nfs/dbraw/zinc/86/85/52/531868552.db2.gz UXROAAXDZCOYJW-PBHICJAKSA-N 1 0 396.329 1.970 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643069524 531868565 /nfs/dbraw/zinc/86/85/65/531868565.db2.gz UXROAAXDZCOYJW-WMLDXEAASA-N 1 0 396.329 1.970 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1cc(F)cc(Br)c1)C1CCCC1 ZINC000418945659 531868823 /nfs/dbraw/zinc/86/88/23/531868823.db2.gz NDKOXPSWLOCJBG-AWEZNQCLSA-N 1 0 386.265 1.838 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCc2cc(F)cc(Br)c2)CCCCC1 ZINC000418944178 531869001 /nfs/dbraw/zinc/86/90/01/531869001.db2.gz LWOGUEKUHUEVHV-UHFFFAOYSA-N 1 0 386.265 1.982 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000563612187 531856083 /nfs/dbraw/zinc/85/60/83/531856083.db2.gz GGYXQQVFKHMFRI-VBQJREDUSA-N 1 0 380.286 1.619 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccc(Br)nc3)C2)CC1 ZINC000270286167 531856408 /nfs/dbraw/zinc/85/64/08/531856408.db2.gz XUNSKSZYWPYOIH-CYBMUJFWSA-N 1 0 395.301 1.973 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2C)C1 ZINC000418854332 531856392 /nfs/dbraw/zinc/85/63/92/531856392.db2.gz KVVNFIQAXWFONP-CYBMUJFWSA-N 1 0 382.302 1.832 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCCc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000642279114 531856803 /nfs/dbraw/zinc/85/68/03/531856803.db2.gz HGMXAVYYQKCLHR-ZFWWWQNUSA-N 1 0 382.302 1.694 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000418872405 531859100 /nfs/dbraw/zinc/85/91/00/531859100.db2.gz WNLXSOBCBXEUHU-CYBMUJFWSA-N 1 0 397.317 1.260 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000418870719 531859230 /nfs/dbraw/zinc/85/92/30/531859230.db2.gz SLZDDHJEOREGFB-MJVIPROJSA-N 1 0 383.290 1.750 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642687304 531861263 /nfs/dbraw/zinc/86/12/63/531861263.db2.gz GFKMBGOPENHXOG-RISCZKNCSA-N 1 0 396.285 1.284 20 0 GDADRO O=C(CSCc1cc(=O)n2ccsc2n1)NC1CC[NH+](C2CC2)CC1 ZINC000298197527 531863116 /nfs/dbraw/zinc/86/31/16/531863116.db2.gz RSRDBZVZOLHKOT-UHFFFAOYSA-N 1 0 378.523 1.732 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000455152141 531863623 /nfs/dbraw/zinc/86/36/23/531863623.db2.gz JNUWVFAAOGPIDR-CQSZACIVSA-N 1 0 399.333 1.984 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418920314 531863825 /nfs/dbraw/zinc/86/38/25/531863825.db2.gz BNTREMNLMNINAD-NEPJUHHUSA-N 1 0 384.249 1.272 20 0 GDADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000563810372 531864227 /nfs/dbraw/zinc/86/42/27/531864227.db2.gz GIQGIUNGTPJBIL-DGCLKSJQSA-N 1 0 378.332 1.931 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418931224 531864258 /nfs/dbraw/zinc/86/42/58/531864258.db2.gz CAEMDZUENXXYSV-DOMZBBRYSA-N 1 0 398.301 1.672 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418927913 531865246 /nfs/dbraw/zinc/86/52/46/531865246.db2.gz XTTVTUGNETUWGY-YGRLFVJLSA-N 1 0 386.265 1.361 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000418950468 531870717 /nfs/dbraw/zinc/87/07/17/531870717.db2.gz OXCYQBWIPKBKGR-OLZOCXBDSA-N 1 0 398.301 1.387 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccccc1I ZINC000595239562 531871275 /nfs/dbraw/zinc/87/12/75/531871275.db2.gz CTDLERRYCPVTJD-UHFFFAOYSA-N 1 0 375.210 1.425 20 0 GDADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000564966964 531871810 /nfs/dbraw/zinc/87/18/10/531871810.db2.gz PVMRHBAQKQTADS-GFCCVEGCSA-N 1 0 395.859 1.610 20 0 GDADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000564970889 531872276 /nfs/dbraw/zinc/87/22/76/531872276.db2.gz VLGRINHXFXNYMA-QWRGUYRKSA-N 1 0 376.862 1.253 20 0 GDADRO COc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)nc1I ZINC000270453860 531872299 /nfs/dbraw/zinc/87/22/99/531872299.db2.gz CYTYRPGSEVGRTG-SECBINFHSA-N 1 0 377.226 1.765 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)Oc1cccc(Br)c1 ZINC000673247824 531875412 /nfs/dbraw/zinc/87/54/12/531875412.db2.gz XTZSJIAFWRCONB-JSGCOSHPSA-N 1 0 398.301 1.543 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2ccc(I)cn2)CCOCC1 ZINC000455655131 531875918 /nfs/dbraw/zinc/87/59/18/531875918.db2.gz KIGLLVHRRUJEAT-UHFFFAOYSA-N 1 0 389.237 1.527 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418982457 531876045 /nfs/dbraw/zinc/87/60/45/531876045.db2.gz AVZGQHUTRHHWSQ-IJEWVQPXSA-N 1 0 394.313 1.612 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)ccc1Br ZINC000418998288 531877783 /nfs/dbraw/zinc/87/77/83/531877783.db2.gz VQNZWYBHYIKCMW-KBPBESRZSA-N 1 0 380.286 1.442 20 0 GDADRO C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000566092539 531878913 /nfs/dbraw/zinc/87/89/13/531878913.db2.gz NRKHWHSHKBXAQV-NXEZZACHSA-N 1 0 382.313 1.670 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000419007349 531878901 /nfs/dbraw/zinc/87/89/01/531878901.db2.gz JPEPEKKIYRYUAG-GHMZBOCLSA-N 1 0 386.290 1.607 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419016527 531879829 /nfs/dbraw/zinc/87/98/29/531879829.db2.gz DQDFSJKERKXQFM-ZWNOBZJWSA-N 1 0 382.258 1.196 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419016826 531880181 /nfs/dbraw/zinc/88/01/81/531880181.db2.gz FLSDQXQUDDLYPH-MBNYWOFBSA-N 1 0 396.285 1.775 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000455802589 531881269 /nfs/dbraw/zinc/88/12/69/531881269.db2.gz NRIMPCWVFGNXLU-GFCCVEGCSA-N 1 0 398.305 1.861 20 0 GDADRO COc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)nc1I ZINC000270500951 531881736 /nfs/dbraw/zinc/88/17/36/531881736.db2.gz MPSYQNJQYNXKIA-JTQLQIEISA-N 1 0 389.237 1.861 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419017908 531881813 /nfs/dbraw/zinc/88/18/13/531881813.db2.gz GSDOIVLGVBFSEY-BXUZGUMPSA-N 1 0 396.285 1.505 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419021423 531881884 /nfs/dbraw/zinc/88/18/84/531881884.db2.gz MEUSRLRYILSGMI-IAQYHMDHSA-N 1 0 382.302 1.740 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000419025077 531882872 /nfs/dbraw/zinc/88/28/72/531882872.db2.gz RUHYHEPTLKFKPE-MJVIPROJSA-N 1 0 396.285 1.585 20 0 GDADRO CN(C)S(=O)(=O)N1CCCN(Cc2cccc(Br)c2)CC1 ZINC000368089642 531891396 /nfs/dbraw/zinc/89/13/96/531891396.db2.gz NCPAWQCXCPWTPI-UHFFFAOYSA-N 1 0 376.320 1.763 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419051675 531892487 /nfs/dbraw/zinc/89/24/87/531892487.db2.gz GIAMEHVGHJMXCI-TZMCWYRMSA-N 1 0 382.302 1.707 20 0 GDADRO CC(=O)N[C@H](CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccc(Br)cc1 ZINC000647876017 531899533 /nfs/dbraw/zinc/89/95/33/531899533.db2.gz NXKPZPXKASZDJC-HFBAOOFYSA-N 1 0 398.301 1.591 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419052445 531892620 /nfs/dbraw/zinc/89/26/20/531892620.db2.gz HZHJRPCLTHPCJF-SNVBAGLBSA-N 1 0 388.693 1.787 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000646996781 531892846 /nfs/dbraw/zinc/89/28/46/531892846.db2.gz XYMFMHZBIDJZCC-JLLWLGSASA-N 1 0 394.269 1.820 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000419052831 531892877 /nfs/dbraw/zinc/89/28/77/531892877.db2.gz ILTJDVUPAFIWCW-KYOSRNDESA-N 1 0 382.302 1.692 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)C[C@H]1[NH+](C)C ZINC000270554141 531892945 /nfs/dbraw/zinc/89/29/45/531892945.db2.gz HWGDOZOERVWVMQ-IAGOWNOFSA-N 1 0 383.539 1.262 20 0 GDADRO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000595928748 531893000 /nfs/dbraw/zinc/89/30/00/531893000.db2.gz NJTDCPJRWLHMSO-DGCLKSJQSA-N 1 0 392.237 1.145 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419055592 531893456 /nfs/dbraw/zinc/89/34/56/531893456.db2.gz ONYYUIVNOZTWRF-XPTSAGLGSA-N 1 0 386.265 1.489 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419055901 531893976 /nfs/dbraw/zinc/89/39/76/531893976.db2.gz OXUFHGOGCMQEPQ-NSHDSACASA-N 1 0 398.276 1.671 20 0 GDADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000625378957 531894145 /nfs/dbraw/zinc/89/41/45/531894145.db2.gz SJENUSWXLBJNOO-GXTWGEPZSA-N 1 0 388.452 1.110 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419056969 531894758 /nfs/dbraw/zinc/89/47/58/531894758.db2.gz SVCYKOWCFJJTSS-JTQLQIEISA-N 1 0 386.265 1.504 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419057099 531894770 /nfs/dbraw/zinc/89/47/70/531894770.db2.gz SZGBWRYDEQKTSO-LMWSTFAQSA-N 1 0 382.302 1.882 20 0 GDADRO C[C@H](CC(F)(F)F)CS(=O)(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC000625378959 531894916 /nfs/dbraw/zinc/89/49/16/531894916.db2.gz SJENUSWXLBJNOO-OCCSQVGLSA-N 1 0 388.452 1.110 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419057684 531894967 /nfs/dbraw/zinc/89/49/67/531894967.db2.gz VBLFPOJCMVMYOI-GXTWGEPZSA-N 1 0 382.302 1.612 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419056331 531894979 /nfs/dbraw/zinc/89/49/79/531894979.db2.gz QPWOYXKCPZMKEK-VHSXEESVSA-N 1 0 388.693 1.914 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cccc(Br)c2Cl)[C@@H](C)C[NH2+]1 ZINC000419056373 531895241 /nfs/dbraw/zinc/89/52/41/531895241.db2.gz QZQVKPXFLLXGCM-UWVGGRQHSA-N 1 0 388.693 1.928 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)c1sc2c(c1I)CNC2 ZINC000595950449 531895614 /nfs/dbraw/zinc/89/56/14/531895614.db2.gz LQYKSKADFMOVCU-SSDOTTSWSA-N 1 0 379.267 1.684 20 0 GDADRO C[NH+]1CCC(C)(CNC(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000567565281 531895904 /nfs/dbraw/zinc/89/59/04/531895904.db2.gz ALPDTHOXGXUDNH-UHFFFAOYSA-N 1 0 385.306 1.642 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419059704 531896251 /nfs/dbraw/zinc/89/62/51/531896251.db2.gz YAEANCSQANSUKI-CHWSQXEVSA-N 1 0 382.302 1.612 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595961086 531897150 /nfs/dbraw/zinc/89/71/50/531897150.db2.gz IZENURWHJIALKL-ZDUSSCGKSA-N 1 0 391.534 1.421 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419076025 531897481 /nfs/dbraw/zinc/89/74/81/531897481.db2.gz VMLHHPWRGOTABH-GXSJLCMTSA-N 1 0 388.693 1.914 20 0 GDADRO COC(=O)c1cn(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)nn1 ZINC000283802253 531897661 /nfs/dbraw/zinc/89/76/61/531897661.db2.gz ARBWUTYEFBZZPS-UHFFFAOYSA-N 1 0 393.241 1.893 20 0 GDADRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000595963797 531899683 /nfs/dbraw/zinc/89/96/83/531899683.db2.gz UZDIZLHUBLHSBL-VDDIYKPWSA-N 1 0 376.297 1.728 20 0 GDADRO O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000567599338 531899147 /nfs/dbraw/zinc/89/91/47/531899147.db2.gz VENAVEAVPCYYTC-HOCLYGCPSA-N 1 0 384.523 1.169 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000419093565 531899248 /nfs/dbraw/zinc/89/92/48/531899248.db2.gz YIHDBMQUGAUACU-NSHDSACASA-N 1 0 388.295 1.621 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419032993 531884772 /nfs/dbraw/zinc/88/47/72/531884772.db2.gz BWKJCJWIFMHJRZ-LERXQTSPSA-N 1 0 396.285 1.503 20 0 GDADRO CC(C)(CO)[NH+]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000673894884 531885256 /nfs/dbraw/zinc/88/52/56/531885256.db2.gz HVYRFKXTDWEJHH-UHFFFAOYSA-N 1 0 395.301 1.346 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3SCCS3)c2)C1 ZINC000270517990 531885399 /nfs/dbraw/zinc/88/53/99/531885399.db2.gz QFWIPSLUPJACDA-HNNXBMFYSA-N 1 0 379.551 1.806 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419037634 531885900 /nfs/dbraw/zinc/88/59/00/531885900.db2.gz IVAUDHWSIRWQSH-RISCZKNCSA-N 1 0 396.285 1.729 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3SCCS3)c2)C1 ZINC000270517993 531885967 /nfs/dbraw/zinc/88/59/67/531885967.db2.gz QFWIPSLUPJACDA-OAHLLOKOSA-N 1 0 379.551 1.806 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419040052 531887407 /nfs/dbraw/zinc/88/74/07/531887407.db2.gz LOGNWJDUSDNODU-SUMWQHHRSA-N 1 0 396.285 1.586 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419041594 531887475 /nfs/dbraw/zinc/88/74/75/531887475.db2.gz NTOWTCAORNCHDL-BXUZGUMPSA-N 1 0 396.285 1.647 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000419042578 531888353 /nfs/dbraw/zinc/88/83/53/531888353.db2.gz LXTOJPVICPNSDW-GUBZILKMSA-N 1 0 376.404 1.407 20 0 GDADRO O=C(N[C@H]1CCOc2c(Br)cccc21)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419042925 531888361 /nfs/dbraw/zinc/88/83/61/531888361.db2.gz QEAQOFBQCMDNAL-WDMOLILDSA-N 1 0 394.269 1.067 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CCC1 ZINC000419043802 531888464 /nfs/dbraw/zinc/88/84/64/531888464.db2.gz RVGJWSWXEWGINN-GFCCVEGCSA-N 1 0 382.258 1.387 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566505466 531889265 /nfs/dbraw/zinc/88/92/65/531889265.db2.gz WLALYAQZDZJKSS-VXGBXAGGSA-N 1 0 397.273 1.624 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000419045928 531890161 /nfs/dbraw/zinc/89/01/61/531890161.db2.gz UPPKHDAAWAYXOV-KXUCPTDWSA-N 1 0 376.404 1.407 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000298526694 531899466 /nfs/dbraw/zinc/89/94/66/531899466.db2.gz YAAAVIZZTBJQBH-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000270542317 531890593 /nfs/dbraw/zinc/89/05/93/531890593.db2.gz YAFWDMTXCHECKZ-CVEARBPZSA-N 1 0 385.555 1.031 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000419046902 531890992 /nfs/dbraw/zinc/89/09/92/531890992.db2.gz WTWNGORZYPPVCA-VHSXEESVSA-N 1 0 378.420 1.797 20 0 GDADRO CCCN(C(=O)C(=O)NCc1cc(F)ccc1Br)[C@@H]1CC[NH2+]C1 ZINC000419156291 531905361 /nfs/dbraw/zinc/90/53/61/531905361.db2.gz JFAPNEJDOQICJI-CYBMUJFWSA-N 1 0 386.265 1.805 20 0 GDADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH]c(=O)c2c1C ZINC000368369380 531906438 /nfs/dbraw/zinc/90/64/38/531906438.db2.gz IGPPQACUYFCIMM-PUHVVEEASA-N 1 0 378.523 1.969 20 0 GDADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCc1ccc(I)cc1 ZINC000596065527 531906637 /nfs/dbraw/zinc/90/66/37/531906637.db2.gz RAFYHZQYYUEPLX-DOMZBBRYSA-N 1 0 393.265 1.836 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000647960532 531907194 /nfs/dbraw/zinc/90/71/94/531907194.db2.gz FCKKIYWBEZGENZ-STQMWFEESA-N 1 0 379.295 1.855 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1Br ZINC000419163355 531907387 /nfs/dbraw/zinc/90/73/87/531907387.db2.gz JLDCISDEKQWXRH-TZMCWYRMSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368379812 531908197 /nfs/dbraw/zinc/90/81/97/531908197.db2.gz VMQLXAMZOLFOAC-BXUZGUMPSA-N 1 0 391.269 1.369 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1Br ZINC000419166099 531909002 /nfs/dbraw/zinc/90/90/02/531909002.db2.gz OIAZPYCBMAQKLK-UONOGXRCSA-N 1 0 380.286 1.442 20 0 GDADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419187451 531909642 /nfs/dbraw/zinc/90/96/42/531909642.db2.gz NKWIQIRLATYFAY-ZIAGYGMSSA-N 1 0 395.301 1.012 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419187710 531910449 /nfs/dbraw/zinc/91/04/49/531910449.db2.gz FUXRUKXKCPSYNF-OAHLLOKOSA-N 1 0 394.313 1.855 20 0 GDADRO CS[C@H]1CN(Cc2nnnn2-c2ccccc2Br)C[C@H]1[NH+](C)C ZINC000270697753 531910838 /nfs/dbraw/zinc/91/08/38/531910838.db2.gz ZOQFPHRPNNZXBZ-KGLIPLIRSA-N 1 0 397.346 1.902 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC1=CC[NH2+]CC1)c1ccccc1Br ZINC000419194484 531911289 /nfs/dbraw/zinc/91/12/89/531911289.db2.gz WJCVCEYWTKLEHP-UHFFFAOYSA-N 1 0 394.313 1.879 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000419205983 531912882 /nfs/dbraw/zinc/91/28/82/531912882.db2.gz LYWCOWRKHRBIDB-GXTWGEPZSA-N 1 0 382.302 1.612 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419207580 531913414 /nfs/dbraw/zinc/91/34/14/531913414.db2.gz UBCXXJBFGOVWOH-UHFFFAOYSA-N 1 0 382.302 1.842 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)CCC1 ZINC000419083311 531899790 /nfs/dbraw/zinc/89/97/90/531899790.db2.gz WERMSJXUVPUDON-UHFFFAOYSA-N 1 0 380.286 1.595 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000595968140 531900504 /nfs/dbraw/zinc/90/05/04/531900504.db2.gz FXMYBKGYADIONA-UONOGXRCSA-N 1 0 385.258 1.630 20 0 GDADRO OCCOC1(C[NH2+]Cc2cccc(I)c2)CCOCC1 ZINC000283823759 531900999 /nfs/dbraw/zinc/90/09/99/531900999.db2.gz FURVBBMOHHHQSP-UHFFFAOYSA-N 1 0 391.249 1.939 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000419109313 531901190 /nfs/dbraw/zinc/90/11/90/531901190.db2.gz MXMBIQYTTBRSJZ-LLVKDONJSA-N 1 0 396.207 1.976 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419133024 531902353 /nfs/dbraw/zinc/90/23/53/531902353.db2.gz IFCLBROSZJTFDA-NSHDSACASA-N 1 0 376.284 1.850 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419129713 531902623 /nfs/dbraw/zinc/90/26/23/531902623.db2.gz AATMNYBLJSVCOG-NSHDSACASA-N 1 0 386.290 1.218 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419133346 531902749 /nfs/dbraw/zinc/90/27/49/531902749.db2.gz FUHQRYLBHPLPPE-UHFFFAOYSA-N 1 0 398.301 1.375 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)NCCc1ccc(Br)s1)c1ccccc1 ZINC000419124065 531903146 /nfs/dbraw/zinc/90/31/46/531903146.db2.gz YYRHUWWFBZLVSV-ZDUSSCGKSA-N 1 0 396.310 1.986 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCc1ccc(Br)s1 ZINC000283957853 531914080 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C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1=O ZINC000569094867 531919117 /nfs/dbraw/zinc/91/91/17/531919117.db2.gz CLXJBVHVBJILQQ-DSRCVFDASA-N 1 0 383.286 1.788 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccc(Br)cn1 ZINC000283994440 531919147 /nfs/dbraw/zinc/91/91/47/531919147.db2.gz UFHVYMZQMBYYON-QWHCGFSZSA-N 1 0 397.317 1.869 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419262623 531919785 /nfs/dbraw/zinc/91/97/85/531919785.db2.gz TUFLFOOTKIJJSS-ZDUSSCGKSA-N 1 0 384.274 1.202 20 0 GDADRO C[N@@H+]1C[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)s2)[C@H](c2ccccc2)C1 ZINC000649101407 531920783 /nfs/dbraw/zinc/92/07/83/531920783.db2.gz YVKCQLNWEJOYSC-KGLIPLIRSA-N 1 0 379.507 1.471 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCOc1ccccc1Br ZINC000649077203 531921489 /nfs/dbraw/zinc/92/14/89/531921489.db2.gz NXAVIWPHQNFIFM-ZDUSSCGKSA-N 1 0 398.301 1.796 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419297925 531921629 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CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000420083599 532000937 /nfs/dbraw/zinc/00/09/37/532000937.db2.gz XANZOENPFILFME-VIFPVBQESA-N 1 0 378.420 1.721 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000420083596 532001089 /nfs/dbraw/zinc/00/10/89/532001089.db2.gz XANZOENPFILFME-SECBINFHSA-N 1 0 378.420 1.721 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000284875547 532001546 /nfs/dbraw/zinc/00/15/46/532001546.db2.gz GDWCZQMXFQRDJB-UHFFFAOYSA-N 1 0 382.302 1.660 20 0 GDADRO C[NH+](C)[C@H](CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)Cc1ccccc1 ZINC000631664380 532003514 /nfs/dbraw/zinc/00/35/14/532003514.db2.gz SHTQQAILFKYJCG-LBPRGKRZSA-N 1 0 376.404 1.880 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000420132947 532004172 /nfs/dbraw/zinc/00/41/72/532004172.db2.gz SUDHFJDWLNIECH-GWCFXTLKSA-N 1 0 386.265 1.803 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000420146089 532005714 /nfs/dbraw/zinc/00/57/14/532005714.db2.gz PZPFYCWISFGVQG-WFASDCNBSA-N 1 0 398.301 1.401 20 0 GDADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000284921241 532006582 /nfs/dbraw/zinc/00/65/82/532006582.db2.gz XTPZMBGHQQOCOG-HUUCEWRRSA-N 1 0 388.555 1.802 20 0 GDADRO COC(=O)C1(O)CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000271359980 532007037 /nfs/dbraw/zinc/00/70/37/532007037.db2.gz HZAGCENCDFVIPL-UHFFFAOYSA-N 1 0 385.258 1.778 20 0 GDADRO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000574987998 532007046 /nfs/dbraw/zinc/00/70/46/532007046.db2.gz ARYKUQCLQYJDSL-AWEZNQCLSA-N 1 0 375.441 1.085 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000420179823 532008242 /nfs/dbraw/zinc/00/82/42/532008242.db2.gz GOOOBGMOTFXZFB-LLVKDONJSA-N 1 0 376.284 1.865 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420204214 532009024 /nfs/dbraw/zinc/00/90/24/532009024.db2.gz OOQWCVSLBUANHM-WFASDCNBSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@H](C[NH2+]CCC(=O)N(C)Cc1ccccc1Br)S(C)(=O)=O ZINC000575248549 532010800 /nfs/dbraw/zinc/01/08/00/532010800.db2.gz KSVWZMHQZWKKAH-GFCCVEGCSA-N 1 0 391.331 1.820 20 0 GDADRO OCCO[C@]1(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CCOC1 ZINC000657597370 532012237 /nfs/dbraw/zinc/01/22/37/532012237.db2.gz MRJGBCHTXOMXOC-INIZCTEOSA-N 1 0 387.267 1.832 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1cccc(I)c1 ZINC000420447584 532014543 /nfs/dbraw/zinc/01/45/43/532014543.db2.gz JRRRMIDEAIRQBJ-NSHDSACASA-N 1 0 382.267 1.943 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)c1OC ZINC000420448918 532014691 /nfs/dbraw/zinc/01/46/91/532014691.db2.gz MMFQNADHGRGKGM-UHFFFAOYSA-N 1 0 376.862 1.556 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)c(=O)[nH]c2C)CC1 ZINC000284985864 532014965 /nfs/dbraw/zinc/01/49/65/532014965.db2.gz BZBOHKPUGCGARM-UHFFFAOYSA-N 1 0 385.306 1.616 20 0 GDADRO CCOc1cc(C[NH2+]CCNS(=O)(=O)c2cccnc2)cc(Cl)c1O ZINC000459453536 532015016 /nfs/dbraw/zinc/01/50/16/532015016.db2.gz SINGLYQBNHUVER-UHFFFAOYSA-N 1 0 385.873 1.907 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000420453967 532015552 /nfs/dbraw/zinc/01/55/52/532015552.db2.gz KUMVGDQAPQFGGA-SKDRFNHKSA-N 1 0 391.287 1.641 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1C(F)(F)F ZINC000420453063 532016112 /nfs/dbraw/zinc/01/61/12/532016112.db2.gz UEKPLKALAJVKCP-RNCFNFMXSA-N 1 0 378.372 1.474 20 0 GDADRO COc1cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)c(OC)cc1Br ZINC000420455060 532017074 /nfs/dbraw/zinc/01/70/74/532017074.db2.gz WVUNSYYKVVPJDA-UHFFFAOYSA-N 1 0 393.303 1.887 20 0 GDADRO CC(C)[C@@](C)([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(N)=O ZINC000459471200 532017174 /nfs/dbraw/zinc/01/71/74/532017174.db2.gz BDSDIXCBBBZMSR-IUODEOHRSA-N 1 0 377.254 1.818 20 0 GDADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)sn1 ZINC000632171219 532017254 /nfs/dbraw/zinc/01/72/54/532017254.db2.gz VVQBRAASMWPKDX-HZPDHXFCSA-N 1 0 381.523 1.613 20 0 GDADRO Cc1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)sn1 ZINC000632181167 532017613 /nfs/dbraw/zinc/01/76/13/532017613.db2.gz CXGMRZLPBWKOEI-UHFFFAOYSA-N 1 0 381.523 1.887 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)cc1 ZINC000420462499 532018800 /nfs/dbraw/zinc/01/88/00/532018800.db2.gz MTESBZPFVCAZHO-ZDUSSCGKSA-N 1 0 399.485 1.489 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(I)c2)C1 ZINC000420464365 532018818 /nfs/dbraw/zinc/01/88/18/532018818.db2.gz XMRWKHRNSDLVTJ-KOLCDFICSA-N 1 0 380.251 1.697 20 0 GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000420467232 532020363 /nfs/dbraw/zinc/02/03/63/532020363.db2.gz CJJAYZAKLLCKQF-LLVKDONJSA-N 1 0 384.479 1.426 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000632276697 532019613 /nfs/dbraw/zinc/01/96/13/532019613.db2.gz SIFHZYUOKAAHSA-ZDUSSCGKSA-N 1 0 393.347 1.471 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000420468398 532020752 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C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc([S@@](C)=O)c(F)c2)CCSC1 ZINC000271620343 532032445 /nfs/dbraw/zinc/03/24/45/532032445.db2.gz IFCHUMALJSLSFZ-IVCQMTBJSA-N 1 0 387.502 1.055 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000271660347 532037866 /nfs/dbraw/zinc/03/78/66/532037866.db2.gz OGURQHWTCRHWEU-KOLCDFICSA-N 1 0 381.274 1.832 20 0 GDADRO CSCC[C@H](NC(N)=O)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000577674720 532038334 /nfs/dbraw/zinc/03/83/34/532038334.db2.gz UJMUXCSRPVDSSR-ZFWWWQNUSA-N 1 0 386.949 1.891 20 0 GDADRO C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000577953528 532042924 /nfs/dbraw/zinc/04/29/24/532042924.db2.gz BRBSYIQDQHLODA-GHMZBOCLSA-N 1 0 394.324 1.715 20 0 GDADRO CC[C@]1(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCC[NH2+]1 ZINC000577953844 532042962 /nfs/dbraw/zinc/04/29/62/532042962.db2.gz MAQXPWOZLYKAPE-OAHLLOKOSA-N 1 0 377.869 1.406 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)ccc1Br ZINC000271706312 532043214 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1.622 20 0 GDADRO C[C@H](CC1CC1)[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271798898 532053517 /nfs/dbraw/zinc/05/35/17/532053517.db2.gz XLEJFWAETYURDY-CYBMUJFWSA-N 1 0 390.527 1.569 20 0 GDADRO O=C(Nc1cscc1Cl)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000634971022 532057686 /nfs/dbraw/zinc/05/76/86/532057686.db2.gz JUALWKDWPOPUBV-NSHDSACASA-N 1 0 384.889 1.010 20 0 GDADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@@H](O)CC3(O)CCOCC3)nc12 ZINC000634710885 532056147 /nfs/dbraw/zinc/05/61/47/532056147.db2.gz GGLUYRLAFSTBCD-HNNXBMFYSA-N 1 0 398.301 1.787 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)cc1Br ZINC000313358710 532056458 /nfs/dbraw/zinc/05/64/58/532056458.db2.gz VAFMFCPYMCDNKH-SNVBAGLBSA-N 1 0 379.276 1.196 20 0 GDADRO C[C@@](O)(C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000634709158 532056453 /nfs/dbraw/zinc/05/64/53/532056453.db2.gz FHLULVQVAKJYKU-SMDDNHRTSA-N 1 0 382.935 1.181 20 0 GDADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@H](O)CC3(O)CCOCC3)nc12 ZINC000634710886 532056516 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C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422481568 532064400 /nfs/dbraw/zinc/06/44/00/532064400.db2.gz XADXWJVEHYREEU-CZUORRHYSA-N 1 0 396.329 1.906 20 0 GDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000422480604 532064602 /nfs/dbraw/zinc/06/46/02/532064602.db2.gz UULBSPDEUNUQAX-HNNXBMFYSA-N 1 0 396.329 1.956 20 0 GDADRO C[NH+](C)CCCN(C(=O)Cc1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000468361266 532064840 /nfs/dbraw/zinc/06/48/40/532064840.db2.gz RJVFOMVKYAAWIY-AWEZNQCLSA-N 1 0 390.908 1.989 20 0 GDADRO NC(=O)C1CC[NH+](CCCCNC(=O)Nc2cc(Br)ccn2)CC1 ZINC000285318887 532067298 /nfs/dbraw/zinc/06/72/98/532067298.db2.gz UJMYKJSALQOOKG-UHFFFAOYSA-N 1 0 398.305 1.943 20 0 GDADRO [NH3+]CCCCn1cc(C(=O)Nc2cccc(I)c2)nn1 ZINC000422913819 532069067 /nfs/dbraw/zinc/06/90/67/532069067.db2.gz QVGNWLYRAIGUDY-UHFFFAOYSA-N 1 0 385.209 1.874 20 0 GDADRO C[C@@H](NC[C@@H](O)COc1ccc(I)cc1)[C@@H]1CCC[NH2+]1 ZINC000422910075 532069414 /nfs/dbraw/zinc/06/94/14/532069414.db2.gz 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CC[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736321271 598834692 /nfs/dbraw/zinc/83/46/92/598834692.db2.gz AEDPAVJDEGMIJZ-AWEZNQCLSA-N 1 0 380.518 1.606 20 0 GDADRO C[C@@]1(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOC1 ZINC000736216948 598839835 /nfs/dbraw/zinc/83/98/35/598839835.db2.gz OJFIXFLTZIASCZ-FQEVSTJZSA-N 1 0 399.499 1.511 20 0 GDADRO COC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736971732 598865693 /nfs/dbraw/zinc/86/56/93/598865693.db2.gz KRJBJVVNQPZFDO-WDEREUQCSA-N 1 0 376.486 1.712 20 0 GDADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000735828012 598870468 /nfs/dbraw/zinc/87/04/68/598870468.db2.gz XWAHKPQULARAQE-UHFFFAOYSA-N 1 0 396.492 1.747 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000737764247 598899715 /nfs/dbraw/zinc/89/97/15/598899715.db2.gz JAWVPAGXJYZIKB-MRXNPFEDSA-N 1 0 398.492 1.787 20 0 GDADRO O=C(NCC[NH+]1CCCC1)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000738076737 598932153 /nfs/dbraw/zinc/93/21/53/598932153.db2.gz ZCRNMVXDVWYALL-UHFFFAOYSA-N 1 0 379.424 1.880 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738023206 598973505 /nfs/dbraw/zinc/97/35/05/598973505.db2.gz HCSHTXJAIGUXIU-HNNXBMFYSA-N 1 0 396.499 1.325 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](CCO)CCc1ccccc1 ZINC000737030993 598987419 /nfs/dbraw/zinc/98/74/19/598987419.db2.gz CNIFHNOZIOCXQZ-UHFFFAOYSA-N 1 0 383.452 1.791 20 0 GDADRO CC(C)(CNC(=O)c1ccc(-c2nn[nH]n2)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000735670658 598988549 /nfs/dbraw/zinc/98/85/49/598988549.db2.gz UDSUTQAACIOHHA-UHFFFAOYSA-N 1 0 377.452 1.828 20 0 GDADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000736472973 599003028 /nfs/dbraw/zinc/00/30/28/599003028.db2.gz FGWQTBLIBGONJG-UHFFFAOYSA-N 1 0 380.518 1.966 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737221807 599006745 /nfs/dbraw/zinc/00/67/45/599006745.db2.gz RUMNOZGWKIHVRR-CQSZACIVSA-N 1 0 376.486 1.282 20 0 GDADRO COC(=O)[C@](C)(O)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000736887912 599032070 /nfs/dbraw/zinc/03/20/70/599032070.db2.gz JJNCXEALWPRARK-HXUWFJFHSA-N 1 0 399.426 1.932 20 0 GDADRO O=C1CN(C[NH+](CC2CC2)CC2CC2)C(=O)N1Cc1ccccc1-c1nn[nH]n1 ZINC000738303380 599037987 /nfs/dbraw/zinc/03/79/87/599037987.db2.gz QPGMHSUKUBBRDP-UHFFFAOYSA-N 1 0 395.467 1.710 20 0 GDADRO O[C@H]1CCC[C@H]1[NH+]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000738391070 599055756 /nfs/dbraw/zinc/05/57/56/599055756.db2.gz WATXCPUJXSEZJH-NEPJUHHUSA-N 1 0 383.378 1.316 20 0 GDADRO C[NH+](C)CCOC1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736768754 599056377 /nfs/dbraw/zinc/05/63/77/599056377.db2.gz JSMWUQFSDPMGEF-UHFFFAOYSA-N 1 0 385.394 1.828 20 0 GDADRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736456695 599070190 /nfs/dbraw/zinc/07/01/90/599070190.db2.gz HMEUMYDKUWKKGD-CVEARBPZSA-N 1 0 385.472 1.021 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000737739420 599071326 /nfs/dbraw/zinc/07/13/26/599071326.db2.gz PJEMXZZWWHGJBG-SFHVURJKSA-N 1 0 383.500 1.591 20 0 GDADRO COc1ccc([C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000737074065 599073132 /nfs/dbraw/zinc/07/31/32/599073132.db2.gz DPGHEUZPVFKJKK-AEFFLSMTSA-N 1 0 378.436 1.891 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(-c3nn[nH]n3)cc2OC)[C@H](C)C1 ZINC000736565609 599080377 /nfs/dbraw/zinc/08/03/77/599080377.db2.gz MLLVLZCUYFNMPS-UKRRQHHQSA-N 1 0 388.472 1.443 20 0 GDADRO FC(F)(F)c1csc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)n1 ZINC000822727974 599157185 /nfs/dbraw/zinc/15/71/85/599157185.db2.gz DBHSAEHBWXSTJK-MRVPVSSYSA-N 1 0 399.406 1.413 20 0 GDADRO CCCCNC(=O)CC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736456644 599172980 /nfs/dbraw/zinc/17/29/80/599172980.db2.gz GETBOOKUMFDDLJ-UHFFFAOYSA-N 1 0 399.499 1.824 20 0 GDADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000735735335 599201029 /nfs/dbraw/zinc/20/10/29/599201029.db2.gz SARGNQBJGGYLEB-YOEHRIQHSA-N 1 0 388.472 1.059 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821181269 599208744 /nfs/dbraw/zinc/20/87/44/599208744.db2.gz LBHFJJSXOULSSW-LBPRGKRZSA-N 1 0 391.863 1.401 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000821180212 599208951 /nfs/dbraw/zinc/20/89/51/599208951.db2.gz ABGPEDBIZGPINN-OAHLLOKOSA-N 1 0 395.471 1.191 20 0 GDADRO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000736407100 599240703 /nfs/dbraw/zinc/24/07/03/599240703.db2.gz FATCGTKKYRPERT-WMLDXEAASA-N 1 0 387.488 1.680 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cccc1-c1nn[nH]n1 ZINC000822043713 607275945 /nfs/dbraw/zinc/27/59/45/607275945.db2.gz GUIZIRODFRIXKK-AWEZNQCLSA-N 1 0 383.456 1.200 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cccc1-c1nn[nH]n1 ZINC000822053430 607274268 /nfs/dbraw/zinc/27/42/68/607274268.db2.gz NJFOXYGUQAFTBK-INIZCTEOSA-N 1 0 385.472 1.350 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000737524619 599252027 /nfs/dbraw/zinc/25/20/27/599252027.db2.gz OPJRIEXOVJAOIU-MRXNPFEDSA-N 1 0 396.455 1.619 20 0 GDADRO C[C@H](CNC(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCN(C)CC1 ZINC000820261350 599259135 /nfs/dbraw/zinc/25/91/35/599259135.db2.gz NGSSRXJOCWUPBE-HUUCEWRRSA-N 1 0 386.504 1.110 20 0 GDADRO O=C(CCCC(=O)Nc1ccccc1-c1nn[nH]n1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000822954769 607300255 /nfs/dbraw/zinc/30/02/55/607300255.db2.gz CGNBGBAFXIJOOU-AWEZNQCLSA-N 1 0 397.483 1.576 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736236689 599270511 /nfs/dbraw/zinc/27/05/11/599270511.db2.gz LKRLSNOVFVZQJV-GPMSIDNRSA-N 1 0 397.527 1.820 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736455530 599283457 /nfs/dbraw/zinc/28/34/57/599283457.db2.gz AMBVSQILKZWANO-MRXNPFEDSA-N 1 0 385.472 1.576 20 0 GDADRO Cc1nc(CN(C)[C@@H]2CC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)no1 ZINC000737472767 599289749 /nfs/dbraw/zinc/28/97/49/599289749.db2.gz YVAYZHBAZKWUDJ-OAHLLOKOSA-N 1 0 393.455 1.517 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820055932 607333848 /nfs/dbraw/zinc/33/38/48/607333848.db2.gz LWHSUVWVIWQCOD-LBPRGKRZSA-N 1 0 377.424 1.037 20 0 GDADRO COc1ccccc1CC[N@H+](C)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737150323 598247664 /nfs/dbraw/zinc/24/76/64/598247664.db2.gz NVTOLATWMLDCBZ-QGZVFWFLSA-N 1 0 383.452 1.790 20 0 GDADRO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737436253 598251647 /nfs/dbraw/zinc/25/16/47/598251647.db2.gz PKQGIADQWOGOCM-QGZVFWFLSA-N 1 0 394.479 1.737 20 0 GDADRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)C1 ZINC000736201004 598285770 /nfs/dbraw/zinc/28/57/70/598285770.db2.gz GBOXVAKSYLUUKI-RHSMWYFYSA-N 1 0 389.467 1.835 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738048788 598294711 /nfs/dbraw/zinc/29/47/11/598294711.db2.gz GXWDULNJLHNEAZ-HNNXBMFYSA-N 1 0 396.499 1.183 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738033497 598294758 /nfs/dbraw/zinc/29/47/58/598294758.db2.gz BPPZPGSWHHDZAZ-SJLPKXTDSA-N 1 0 396.499 1.325 20 0 GDADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000735685454 598299452 /nfs/dbraw/zinc/29/94/52/598299452.db2.gz VWFCDYFZDTYPMQ-HNNXBMFYSA-N 1 0 399.499 1.680 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000820128008 607350382 /nfs/dbraw/zinc/35/03/82/607350382.db2.gz NGYBAQBDUQRTHB-UHFFFAOYSA-N 1 0 383.500 1.497 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@H](n3ccnc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292191 598342183 /nfs/dbraw/zinc/34/21/83/598342183.db2.gz YEEAJBQSPIHHEM-DLBZAZTESA-N 1 0 378.440 1.506 20 0 GDADRO c1c(C[NH+]2CCC(Nc3cccnn3)CC2)c(-c2nn[nH]n2)c2ccccn12 ZINC000738447865 598358399 /nfs/dbraw/zinc/35/83/99/598358399.db2.gz JIQAEJKCJCBNPC-UHFFFAOYSA-N 1 0 375.440 1.986 20 0 GDADRO Cc1ccc(N2CCC[C@@H]([N@H+](C)CCOc3cccc(-c4nn[nH]n4)c3)C2)nn1 ZINC000737351618 598364520 /nfs/dbraw/zinc/36/45/20/598364520.db2.gz MFYHNRCCVUYVRJ-QGZVFWFLSA-N 1 0 394.483 1.945 20 0 GDADRO O=C(CC[NH+]1CCC(Nc2cccnn2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737838283 598365238 /nfs/dbraw/zinc/36/52/38/598365238.db2.gz LJKHSCSDKJVDJD-UHFFFAOYSA-N 1 0 393.455 1.562 20 0 GDADRO CC[C@H]1CN(CCC(=O)Nc2sccc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](C)O ZINC000736411248 598366702 /nfs/dbraw/zinc/36/67/02/598366702.db2.gz PUZOICDPZWJHHX-STQMWFEESA-N 1 0 393.517 1.034 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736229725 598402750 /nfs/dbraw/zinc/40/27/50/598402750.db2.gz RPLLTMHZLVGXJX-GJZGRUSLSA-N 1 0 399.499 1.081 20 0 GDADRO COc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)cn2)[NH+]2CCCC2)cc1 ZINC000737076427 598436881 /nfs/dbraw/zinc/43/68/81/598436881.db2.gz QYAQRVDOCJNUGL-GOSISDBHSA-N 1 0 393.451 1.837 20 0 GDADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000737272406 598438550 /nfs/dbraw/zinc/43/85/50/598438550.db2.gz QZQSGARYQVZXJO-UHFFFAOYSA-N 1 0 378.440 1.574 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738044521 598462867 /nfs/dbraw/zinc/46/28/67/598462867.db2.gz KVLRJOACPVXNRP-ZDUSSCGKSA-N 1 0 383.481 1.965 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000737289326 598485664 /nfs/dbraw/zinc/48/56/64/598485664.db2.gz QRHNMTPVNJOGBP-INIZCTEOSA-N 1 0 397.483 1.591 20 0 GDADRO c1coc([C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N2CCCCC2)c1 ZINC000738449071 598518345 /nfs/dbraw/zinc/51/83/45/598518345.db2.gz SDDXXAFQLBPETQ-GDBMZVCRSA-N 1 0 397.487 1.515 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCCN1CCc3ccccc31)C2 ZINC000738439683 598520777 /nfs/dbraw/zinc/52/07/77/598520777.db2.gz BHWIEKSGWXVSBE-CQSZACIVSA-N 1 0 379.472 1.147 20 0 GDADRO Fc1ccc(OCCCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737656876 598521756 /nfs/dbraw/zinc/52/17/56/598521756.db2.gz QLRZZJPLGYNNIC-CYBMUJFWSA-N 1 0 386.435 1.693 20 0 GDADRO CN(C)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1 ZINC000736758871 598523100 /nfs/dbraw/zinc/52/31/00/598523100.db2.gz JHZBXWOJWFAJFQ-LRDDRELGSA-N 1 0 385.451 1.137 20 0 GDADRO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1sccc1-c1nn[nH]n1 ZINC000737876937 598525081 /nfs/dbraw/zinc/52/50/81/598525081.db2.gz KTFDYKVOEQQHAP-CYBMUJFWSA-N 1 0 375.502 1.817 20 0 GDADRO Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CNc3c(-c4nn[nH]n4)cnn3C1)CCCO2 ZINC000737664929 598525111 /nfs/dbraw/zinc/52/51/11/598525111.db2.gz GMMHTZLBPNAJGT-XHDPSFHLSA-N 1 0 384.419 1.748 20 0 GDADRO Fc1ccc2c(CC[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c[nH]c2c1 ZINC000737656583 598528687 /nfs/dbraw/zinc/52/86/87/598528687.db2.gz OWNUXXZMWRLPCR-LLVKDONJSA-N 1 0 381.419 1.558 20 0 GDADRO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000735831472 598539362 /nfs/dbraw/zinc/53/93/62/598539362.db2.gz SGMRVDHJKVFKMG-UHFFFAOYSA-N 1 0 378.440 1.861 20 0 GDADRO COCC[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccn1 ZINC000736994126 598560154 /nfs/dbraw/zinc/56/01/54/598560154.db2.gz FZGXBAHYIHRKNW-UHFFFAOYSA-N 1 0 387.469 1.800 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCCC1 ZINC000736008399 598594788 /nfs/dbraw/zinc/59/47/88/598594788.db2.gz LEPHITNIZITUCX-MAUKXSAKSA-N 1 0 383.500 1.684 20 0 GDADRO O=C1C[C@@H]([N@@H+]2CC[C@H](c3ccccc3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738301650 598616732 /nfs/dbraw/zinc/61/67/32/598616732.db2.gz QPLRXORGGZPXEJ-FUHWJXTLSA-N 1 0 388.431 1.988 20 0 GDADRO O=C(CC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843629 598618719 /nfs/dbraw/zinc/61/87/19/598618719.db2.gz LPVTVJICWWVQCT-GXTWGEPZSA-N 1 0 384.362 1.583 20 0 GDADRO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737453270 598627648 /nfs/dbraw/zinc/62/76/48/598627648.db2.gz OURJXBXARZVWHT-CYBMUJFWSA-N 1 0 396.499 1.901 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000736287439 598664288 /nfs/dbraw/zinc/66/42/88/598664288.db2.gz PDGHSPIRKLBSTD-KBPBESRZSA-N 1 0 390.513 1.574 20 0 GDADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736202026 598677878 /nfs/dbraw/zinc/67/78/78/598677878.db2.gz ZAFIZLJPOUGFKP-LLVKDONJSA-N 1 0 390.444 1.846 20 0 GDADRO O=c1[nH]c2ccccc2cc1C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000738373000 598701099 /nfs/dbraw/zinc/70/10/99/598701099.db2.gz ZJLLCMAKAUXSSR-UHFFFAOYSA-N 1 0 388.435 1.838 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737843291 598708952 /nfs/dbraw/zinc/70/89/52/598708952.db2.gz KCFQRDPAPDRTDH-AWEZNQCLSA-N 1 0 383.456 1.282 20 0 GDADRO C[N@@H+]1CCCN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000736859714 598718490 /nfs/dbraw/zinc/71/84/90/598718490.db2.gz HXBYZFHOWNDXKO-UHFFFAOYSA-N 1 0 382.424 1.816 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736113440 598725781 /nfs/dbraw/zinc/72/57/81/598725781.db2.gz NXLQCNUHSKRZFH-IAOVAPTHSA-N 1 0 385.472 1.168 20 0 GDADRO COCCc1noc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000737012982 598756948 /nfs/dbraw/zinc/75/69/48/598756948.db2.gz DTVQOJKSTSFBLQ-UHFFFAOYSA-N 1 0 398.471 1.147 20 0 GDADRO CCn1cnnc1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736722189 598763537 /nfs/dbraw/zinc/76/35/37/598763537.db2.gz MQDLDBZMGCALIS-OAHLLOKOSA-N 1 0 395.471 1.686 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@@H](C3OCCO3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738289595 598764315 /nfs/dbraw/zinc/76/43/15/598764315.db2.gz JGYOKBYZTOBMNI-ZBFHGGJFSA-N 1 0 384.440 1.057 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCc3ccc(O)cc3CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290984 598764402 /nfs/dbraw/zinc/76/44/02/598764402.db2.gz REFQFCFGUOUEQI-IBGZPJMESA-N 1 0 390.447 1.778 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@H](C3OCCO3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738289591 598764409 /nfs/dbraw/zinc/76/44/09/598764409.db2.gz JGYOKBYZTOBMNI-GOEBONIOSA-N 1 0 384.440 1.057 20 0 GDADRO CC[NH+](CC)CCNC(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736529907 598781866 /nfs/dbraw/zinc/78/18/66/598781866.db2.gz BGJUPNGRQOAEEK-UHFFFAOYSA-N 1 0 387.488 1.761 20 0 GDADRO C[NH+]1CCC(NC(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736853853 598782043 /nfs/dbraw/zinc/78/20/43/598782043.db2.gz AERCHXBKOIMCGW-UHFFFAOYSA-N 1 0 385.472 1.514 20 0 GDADRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000736129141 598787212 /nfs/dbraw/zinc/78/72/12/598787212.db2.gz CDSADCIDWZOVQN-IUODEOHRSA-N 1 0 395.471 1.513 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000736533466 598795370 /nfs/dbraw/zinc/79/53/70/598795370.db2.gz HBBCMIADEDLKTQ-UHFFFAOYSA-N 1 0 377.880 1.511 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000737486246 598812586 /nfs/dbraw/zinc/81/25/86/598812586.db2.gz CFGUMLUYQXFJNC-MRXNPFEDSA-N 1 0 399.503 1.161 20 0 GDADRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000737601756 598813181 /nfs/dbraw/zinc/81/31/81/598813181.db2.gz DVTLVBORDKJRRH-UHFFFAOYSA-N 1 0 380.456 1.242 20 0 GDADRO Cc1nc(SCC(=O)NCC[N@@H+](C)C(C)C)c(-c2nn[nH]n2)c(C)c1C ZINC000737482193 598813507 /nfs/dbraw/zinc/81/35/07/598813507.db2.gz DTLGIDKFAMHXAM-UHFFFAOYSA-N 1 0 377.518 1.735 20 0 GDADRO O=C(NCCNc1ncccc1-c1nn[nH]n1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000738081673 598819161 /nfs/dbraw/zinc/81/91/61/598819161.db2.gz GDFALBQNOLWXDP-UHFFFAOYSA-N 1 0 392.467 1.699 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736568874 598819807 /nfs/dbraw/zinc/81/98/07/598819807.db2.gz DIFCMWCVCUYJNV-KRWDZBQOSA-N 1 0 387.463 1.529 20 0 GDADRO CCS(=O)(=O)N(C)C1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736659768 599319476 /nfs/dbraw/zinc/31/94/76/599319476.db2.gz VWWUJFLVPZIXRH-ZDUSSCGKSA-N 1 0 378.502 1.674 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)[C@H](C)C1 ZINC000821254208 599347010 /nfs/dbraw/zinc/34/70/10/599347010.db2.gz KCKJBUROCZSTEF-YPMHNXCESA-N 1 0 382.465 1.357 20 0 GDADRO Cn1cc([C@H]([NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C(C)(C)C)cn1 ZINC000737607308 599355382 /nfs/dbraw/zinc/35/53/82/599355382.db2.gz XDOMROBBKUKNDK-WBVHZDCISA-N 1 0 385.472 1.717 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)c(-c2nn[nH]n2)c1C ZINC000737548362 599355955 /nfs/dbraw/zinc/35/59/55/599355955.db2.gz OZJOHXKIDTYKIH-GXTWGEPZSA-N 1 0 375.477 1.677 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821002751 599369506 /nfs/dbraw/zinc/36/95/06/599369506.db2.gz YUWGLWURVPFKTF-NEPJUHHUSA-N 1 0 396.904 1.767 20 0 GDADRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1-c1nn[nH]n1 ZINC000821805346 599401349 /nfs/dbraw/zinc/40/13/49/599401349.db2.gz UBSLBJKVLKNDSY-UHFFFAOYSA-N 1 0 382.424 1.863 20 0 GDADRO C[C@H](CNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000820710344 599439063 /nfs/dbraw/zinc/43/90/63/599439063.db2.gz PPGRVAFBYWLKEN-LSDHHAIUSA-N 1 0 387.488 1.665 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000736820475 599453975 /nfs/dbraw/zinc/45/39/75/599453975.db2.gz MPQROGDOUJGGFP-INIZCTEOSA-N 1 0 399.499 1.509 20 0 GDADRO COc1cc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2n1 ZINC000821717239 599454338 /nfs/dbraw/zinc/45/43/38/599454338.db2.gz MLYNNURHGGSWAF-GFCCVEGCSA-N 1 0 391.439 1.452 20 0 GDADRO COc1ccccc1O[C@H](C)C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821903397 599458502 /nfs/dbraw/zinc/45/85/02/599458502.db2.gz GCQNCZCUIRFJNQ-CHWSQXEVSA-N 1 0 384.444 1.171 20 0 GDADRO Fc1cccc(C2([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCOCC2)c1 ZINC000822786121 599463516 /nfs/dbraw/zinc/46/35/16/599463516.db2.gz FBUDYCKZVMLFHX-CYBMUJFWSA-N 1 0 398.446 1.540 20 0 GDADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823798810 599475327 /nfs/dbraw/zinc/47/53/27/599475327.db2.gz YVRHOMVUVBEMEW-HNNXBMFYSA-N 1 0 379.468 1.892 20 0 GDADRO O[C@H](CNc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)C[NH+]1CCCCC1 ZINC000823690336 599475562 /nfs/dbraw/zinc/47/55/62/599475562.db2.gz NKWHHRYQUMHLIF-GFCCVEGCSA-N 1 0 389.410 1.952 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC000823188229 599478676 /nfs/dbraw/zinc/47/86/76/599478676.db2.gz VUXQKBQAAKSYJU-UHFFFAOYSA-N 1 0 384.488 1.080 20 0 GDADRO CCOc1ccc(NC(=O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000736646824 599486887 /nfs/dbraw/zinc/48/68/87/599486887.db2.gz KZCFVIDEHJHABC-UHFFFAOYSA-N 1 0 392.423 1.641 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000736987469 599506712 /nfs/dbraw/zinc/50/67/12/599506712.db2.gz HUMPCICCKXFSIK-CYBMUJFWSA-N 1 0 389.504 1.992 20 0 GDADRO CC[C@@H](CO)[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccccc1 ZINC000736355145 599517546 /nfs/dbraw/zinc/51/75/46/599517546.db2.gz YIWQYPHJTHTYPO-INIZCTEOSA-N 1 0 397.483 1.632 20 0 GDADRO CC[C@H]1CN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC[N@@H+]1C[C@H](C)O ZINC000820994269 599573954 /nfs/dbraw/zinc/57/39/54/599573954.db2.gz GGXLDPSZIPBVRK-BBRMVZONSA-N 1 0 398.471 1.194 20 0 GDADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000736195411 599583194 /nfs/dbraw/zinc/58/31/94/599583194.db2.gz HFQNCHDXWOZAFJ-AWEZNQCLSA-N 1 0 394.483 1.803 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738389007 599590157 /nfs/dbraw/zinc/59/01/57/599590157.db2.gz VHOMDHSVCZBJKY-MSOLQXFVSA-N 1 0 386.500 1.557 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1-c1nn[nH]n1 ZINC000822318958 599597983 /nfs/dbraw/zinc/59/79/83/599597983.db2.gz DAXRRVVJGOJVRJ-INIZCTEOSA-N 1 0 399.499 1.740 20 0 GDADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738355935 599598270 /nfs/dbraw/zinc/59/82/70/599598270.db2.gz WLJAFEPLZBSVAA-OAHLLOKOSA-N 1 0 376.486 1.506 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822319581 599598545 /nfs/dbraw/zinc/59/85/45/599598545.db2.gz UCJMEQNCNPSDBD-UONOGXRCSA-N 1 0 385.472 1.493 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821625498 599606924 /nfs/dbraw/zinc/60/69/24/599606924.db2.gz POUBXIYQVRROIY-SNVBAGLBSA-N 1 0 397.361 1.034 20 0 GDADRO CN1CC[N@H+](C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)[C@@H](c2ccccc2)C1 ZINC000821626823 607386650 /nfs/dbraw/zinc/38/66/50/607386650.db2.gz ALEFHLSCEBRXOS-RHSMWYFYSA-N 1 0 379.472 1.094 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000822505324 599646824 /nfs/dbraw/zinc/64/68/24/599646824.db2.gz ISRVCKNPWVFMAV-SJORKVTESA-N 1 0 379.472 1.560 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC[N@@H+]1C ZINC000820659472 599674136 /nfs/dbraw/zinc/67/41/36/599674136.db2.gz XVSZWYMDHGNWAU-CZUORRHYSA-N 1 0 399.503 1.012 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820684715 599699665 /nfs/dbraw/zinc/69/96/65/599699665.db2.gz RWZQLKAFWWBFQP-ZIAGYGMSSA-N 1 0 384.488 1.220 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000737116454 599731754 /nfs/dbraw/zinc/73/17/54/599731754.db2.gz URSGAHQSKOXFQL-MRXNPFEDSA-N 1 0 397.541 1.730 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)s1 ZINC000822266495 607390803 /nfs/dbraw/zinc/39/08/03/607390803.db2.gz BFVUCELODTYJOO-UHFFFAOYSA-N 1 0 384.512 1.366 20 0 GDADRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC000737116003 600122094 /nfs/dbraw/zinc/12/20/94/600122094.db2.gz SYVNFISJFRLUJS-KRWDZBQOSA-N 1 0 389.500 1.499 20 0 GDADRO O=C([O-])[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000262663882 600129216 /nfs/dbraw/zinc/12/92/16/600129216.db2.gz MREWNQOALDHBTP-MRXNPFEDSA-N 1 0 377.510 1.971 20 0 GDADRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](CCO)CC2)cc1-c1nn[nH]n1 ZINC000820164345 607430797 /nfs/dbraw/zinc/43/07/97/607430797.db2.gz IGJZYJBRLHKFAY-UHFFFAOYSA-N 1 0 389.460 1.232 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(c2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)CC1 ZINC000825854973 607449719 /nfs/dbraw/zinc/44/97/19/607449719.db2.gz FUCHLNWZGQRBFR-UHFFFAOYSA-N 1 0 383.378 1.096 20 0 GDADRO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000819899158 607450332 /nfs/dbraw/zinc/45/03/32/607450332.db2.gz OJBHFMXFCJFKSM-AWEZNQCLSA-N 1 0 399.499 1.822 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826435391 607456185 /nfs/dbraw/zinc/45/61/85/607456185.db2.gz NCVHUZKLRYCUMX-JKSUJKDBSA-N 1 0 383.456 1.018 20 0 GDADRO COC(=O)[C@H]1CC12CC[NH+](CCOCC[NH+]1CCC3(C[C@@H]3C(=O)[O-])CC1)CC2 ZINC000831100698 601381567 /nfs/dbraw/zinc/38/15/67/601381567.db2.gz PJERXJNOFTWEMD-IAGOWNOFSA-N 1 0 394.512 1.465 20 0 GDADRO COC[C@@](C)(CC(=O)[O-])[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000831573732 601489356 /nfs/dbraw/zinc/48/93/56/601489356.db2.gz UTMHGRPULHLIFF-OAQYLSRUSA-N 1 0 391.512 1.499 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1 ZINC000825451451 607515393 /nfs/dbraw/zinc/51/53/93/607515393.db2.gz IKNUXSDCRNUVPQ-LRDDRELGSA-N 1 0 375.452 1.878 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1-c1nn[nH]n1 ZINC000826194257 607517154 /nfs/dbraw/zinc/51/71/54/607517154.db2.gz GZCBVQAAXMIOMH-YOEHRIQHSA-N 1 0 383.456 1.554 20 0 GDADRO Cc1cccc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c1-c1nn[nH]n1 ZINC000826300690 607545097 /nfs/dbraw/zinc/54/50/97/607545097.db2.gz DTQFOCXTSWROFC-UHFFFAOYSA-N 1 0 378.502 1.668 20 0 GDADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000825860547 607549623 /nfs/dbraw/zinc/54/96/23/607549623.db2.gz RFBDAUFSIXNVET-UHFFFAOYSA-N 1 0 398.920 1.919 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@](C)(CC)CC(=O)[O-])cc2)CC1 ZINC000829780638 602222036 /nfs/dbraw/zinc/22/20/36/602222036.db2.gz JKDMUGUMFIJBOC-HXUWFJFHSA-N 1 0 376.501 2.000 20 0 GDADRO COc1ccc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826199267 607569123 /nfs/dbraw/zinc/56/91/23/607569123.db2.gz UDFDTZVWGDPTQK-UONOGXRCSA-N 1 0 387.488 1.795 20 0 GDADRO COc1ccc(CNC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1-c1nn[nH]n1 ZINC000826197823 607570837 /nfs/dbraw/zinc/57/08/37/607570837.db2.gz DYAIVFLFYNFNQI-HZPDHXFCSA-N 1 0 385.472 1.644 20 0 GDADRO CCCC[NH+]1CCC(NC(=O)NCc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000825285362 607574087 /nfs/dbraw/zinc/57/40/87/607574087.db2.gz SMDDGWUOCHQWSZ-UHFFFAOYSA-N 1 0 387.488 1.939 20 0 GDADRO CC(C)[NH+](CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)C(C)C ZINC000824288996 607579472 /nfs/dbraw/zinc/57/94/72/607579472.db2.gz SXGWDTUEYKZTDI-UHFFFAOYSA-N 1 0 386.909 1.917 20 0 GDADRO O=S(=O)(c1ccc(F)cc1-c1nn[nH]n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000826495299 607593260 /nfs/dbraw/zinc/59/32/60/607593260.db2.gz KNNLSDONLHISGI-UHFFFAOYSA-N 1 0 394.476 1.645 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)[NH+]1CCC(C)CC1 ZINC000824957040 607600652 /nfs/dbraw/zinc/60/06/52/607600652.db2.gz WAMIMNFDVXOMKW-LBPRGKRZSA-N 1 0 382.465 1.405 20 0 GDADRO C[N@H+](CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)C1CCCC1 ZINC000825941616 607608314 /nfs/dbraw/zinc/60/83/14/607608314.db2.gz LOZMOARROOUURU-UHFFFAOYSA-N 1 0 384.893 1.673 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000825460026 607613020 /nfs/dbraw/zinc/61/30/20/607613020.db2.gz QMPLDOQHESDKBV-GFCCVEGCSA-N 1 0 384.893 1.673 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000825848438 607614964 /nfs/dbraw/zinc/61/49/64/607614964.db2.gz CRZUTJHFKJDKIQ-WYUXJBACSA-N 1 0 382.468 1.590 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@H]3CCCN(C(=O)[O-])C3)c2)C1 ZINC000740326650 603275048 /nfs/dbraw/zinc/27/50/48/603275048.db2.gz GPAXXKKAACWGRI-RTBURBONSA-N 1 0 388.512 1.864 20 0 GDADRO COc1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000826198459 607625308 /nfs/dbraw/zinc/62/53/08/607625308.db2.gz YUSGLKMVTFYHRK-OAHLLOKOSA-N 1 0 385.472 1.503 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)C1 ZINC000825412859 607654081 /nfs/dbraw/zinc/65/40/81/607654081.db2.gz VRQZCTDPACBGMU-GFCCVEGCSA-N 1 0 382.465 1.358 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)C1 ZINC000825302084 607654502 /nfs/dbraw/zinc/65/45/02/607654502.db2.gz VZKPOFMZPQVKOF-LBPRGKRZSA-N 1 0 382.465 1.358 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000825855926 607662295 /nfs/dbraw/zinc/66/22/95/607662295.db2.gz MACMBDCRKTWJBJ-NWDGAFQWSA-N 1 0 384.893 1.671 20 0 GDADRO [NH3+]CC1(NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CCOCC1 ZINC000529320832 649940205 /nfs/dbraw/zinc/94/02/05/649940205.db2.gz GDUQKTFSCSMPTK-AWEZNQCLSA-N 1 0 397.317 1.835 20 0 GDADRO COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000832041178 604470280 /nfs/dbraw/zinc/47/02/80/604470280.db2.gz PJVSSWVVGHKMPT-KUHUBIRLSA-N 1 0 380.485 1.854 20 0 GDADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000833498962 605095496 /nfs/dbraw/zinc/09/54/96/605095496.db2.gz ZUSAHAOFQIKIQI-UHFFFAOYSA-N 1 0 391.516 1.697 20 0 GDADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826160546 607751921 /nfs/dbraw/zinc/75/19/21/607751921.db2.gz WETLMTMNAMTWNB-SFHVURJKSA-N 1 0 380.452 1.330 20 0 GDADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)nc2)CC1 ZINC000825856182 607753640 /nfs/dbraw/zinc/75/36/40/607753640.db2.gz QKQNYVXUKPQGTP-UHFFFAOYSA-N 1 0 381.444 1.373 20 0 GDADRO O=C(NCC[NH+]1CCC1)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000826437478 607765962 /nfs/dbraw/zinc/76/59/62/607765962.db2.gz NHJDLGNXTZITDB-UHFFFAOYSA-N 1 0 378.436 1.881 20 0 GDADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000820533906 606029179 /nfs/dbraw/zinc/02/91/79/606029179.db2.gz HTPJMUFDUZGUIL-GOEBONIOSA-N 1 0 384.484 1.824 20 0 GDADRO O=S(=O)(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823572301 606146745 /nfs/dbraw/zinc/14/67/45/606146745.db2.gz GABZYFVYYNYHDL-UHFFFAOYSA-N 1 0 390.513 1.942 20 0 GDADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000821189379 606162634 /nfs/dbraw/zinc/16/26/34/606162634.db2.gz LDCPQUUGAAULIE-UHFFFAOYSA-N 1 0 397.487 1.976 20 0 GDADRO C[C@H]1C[C@@H](N(C)CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000820656133 606188690 /nfs/dbraw/zinc/18/86/90/606188690.db2.gz DDSCCKKGKPQMOK-ZFWWWQNUSA-N 1 0 378.502 1.055 20 0 GDADRO CN(c1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1)S(C)(=O)=O ZINC000821619107 606218024 /nfs/dbraw/zinc/21/80/24/606218024.db2.gz JUYXCEWYHRLSNK-UHFFFAOYSA-N 1 0 378.483 1.614 20 0 GDADRO COc1cc(C[C@@H](CO)C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc(OC)c1 ZINC000821713029 606225105 /nfs/dbraw/zinc/22/51/05/606225105.db2.gz QJVQMBWJJHCDNX-CYBMUJFWSA-N 1 0 389.481 1.886 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)cn2C)[C@H](C)C1 ZINC000821378679 606254306 /nfs/dbraw/zinc/25/43/06/606254306.db2.gz SAOFJXDSBVVGAZ-UKRRQHHQSA-N 1 0 375.477 1.072 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000822636668 606286396 /nfs/dbraw/zinc/28/63/96/606286396.db2.gz HPHFPJMMXGIVEC-MRXNPFEDSA-N 1 0 379.468 1.500 20 0 GDADRO O=C1[C@H](N2CC[NH+](C3CCCC3)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504669 606317121 /nfs/dbraw/zinc/31/71/21/606317121.db2.gz SRHBOJUULKVYIH-OAHLLOKOSA-N 1 0 387.513 1.594 20 0 GDADRO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821000950 606331455 /nfs/dbraw/zinc/33/14/55/606331455.db2.gz MPUGSCIOXORDGN-SQNIBIBYSA-N 1 0 386.500 1.555 20 0 GDADRO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000821649867 606332273 /nfs/dbraw/zinc/33/22/73/606332273.db2.gz FLYYOSQRXXOIDT-MAUKXSAKSA-N 1 0 384.484 1.745 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821585959 606347986 /nfs/dbraw/zinc/34/79/86/606347986.db2.gz CNFVKKVCECLOTG-ZDUSSCGKSA-N 1 0 377.424 1.580 20 0 GDADRO CC(C)N1CCC[C@H](N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000820134049 606373099 /nfs/dbraw/zinc/37/30/99/606373099.db2.gz WBFHRSFNKKOIID-IBGZPJMESA-N 1 0 397.527 1.774 20 0 GDADRO CC(C)N1CCC[C@@H]([N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)C1=O ZINC000820133982 606373414 /nfs/dbraw/zinc/37/34/14/606373414.db2.gz VDWWNIISWRXIJU-GOSISDBHSA-N 1 0 383.500 1.778 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000821088300 606404571 /nfs/dbraw/zinc/40/45/71/606404571.db2.gz KRPYXIWOTBXFSA-GFCCVEGCSA-N 1 0 389.435 1.135 20 0 GDADRO CN(c1ccc(Cl)c(-c2nn[nH]n2)n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000821622196 606466631 /nfs/dbraw/zinc/46/66/31/606466631.db2.gz VUOHAQPGAVYOSI-CYBMUJFWSA-N 1 0 376.896 1.520 20 0 GDADRO CC[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC[N@@H+]1C[C@H](C)O ZINC000820995593 606489054 /nfs/dbraw/zinc/48/90/54/606489054.db2.gz UPVDVYSKVOZPDP-SWLSCSKDSA-N 1 0 396.442 1.745 20 0 GDADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000821600342 606500753 /nfs/dbraw/zinc/50/07/53/606500753.db2.gz INMRZBKCXWKEOT-IAGOWNOFSA-N 1 0 393.513 1.923 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000820909048 606502209 /nfs/dbraw/zinc/50/22/09/606502209.db2.gz SNVKCQOXFVONKR-CQSZACIVSA-N 1 0 382.415 1.357 20 0 GDADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000823097792 606507360 /nfs/dbraw/zinc/50/73/60/606507360.db2.gz BMUPASPVPYOMOK-UHFFFAOYSA-N 1 0 376.464 1.974 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000823699786 606528576 /nfs/dbraw/zinc/52/85/76/606528576.db2.gz XTAGHJKGXQWVMX-UAGQMJEPSA-N 1 0 375.498 1.966 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820092279 606536505 /nfs/dbraw/zinc/53/65/05/606536505.db2.gz KHNHMDWDBZCRSG-YOEHRIQHSA-N 1 0 388.472 1.107 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000820686586 606539072 /nfs/dbraw/zinc/53/90/72/606539072.db2.gz YRDPGBVSOUJSSG-KBPBESRZSA-N 1 0 389.529 1.559 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821586478 606544104 /nfs/dbraw/zinc/54/41/04/606544104.db2.gz ZMWVVHFFZOCYKF-UHFFFAOYSA-N 1 0 380.474 1.274 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821587284 606553485 /nfs/dbraw/zinc/55/34/85/606553485.db2.gz PFFNCWPEUMLMGD-UHFFFAOYSA-N 1 0 399.480 1.150 20 0 GDADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823261555 606573539 /nfs/dbraw/zinc/57/35/39/606573539.db2.gz NMZYBZVRPBVZIR-UHFFFAOYSA-N 1 0 398.492 1.815 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000820759325 606584135 /nfs/dbraw/zinc/58/41/35/606584135.db2.gz JJCLSWPQOIRNGK-PBHICJAKSA-N 1 0 377.452 1.902 20 0 GDADRO CC[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1cccc(C)c1 ZINC000820909630 606618659 /nfs/dbraw/zinc/61/86/59/606618659.db2.gz YXTRTBAVAUZTPS-HUUCEWRRSA-N 1 0 382.472 1.861 20 0 GDADRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc(-c2nn[nH]n2)nc1 ZINC000823363876 606657827 /nfs/dbraw/zinc/65/78/27/606657827.db2.gz PWBMHBURXJMRNP-UHFFFAOYSA-N 1 0 379.424 1.471 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000821687600 606678561 /nfs/dbraw/zinc/67/85/61/606678561.db2.gz GYEYASAYHVJGSJ-UHFFFAOYSA-N 1 0 380.399 1.376 20 0 GDADRO CC[N@H+]1C[C@H](NC(=O)N(CCOC)Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821239787 606679145 /nfs/dbraw/zinc/67/91/45/606679145.db2.gz CWHQHAONMJFQLZ-YOEHRIQHSA-N 1 0 387.488 1.365 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1nc(-c2cccs2)no1 ZINC000821601479 606700960 /nfs/dbraw/zinc/70/09/60/606700960.db2.gz JMWXODWKHCLVCO-UHFFFAOYSA-N 1 0 386.445 1.348 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000821180733 606737935 /nfs/dbraw/zinc/73/79/35/606737935.db2.gz GLZIXDDDLZLOIA-JTQLQIEISA-N 1 0 379.852 1.305 20 0 GDADRO 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608389220 /nfs/dbraw/zinc/38/92/20/608389220.db2.gz LAZDDDZCFIZQFX-UHFFFAOYSA-N 1 0 386.378 1.384 20 0 GDADRO CCCCCn1cc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(C)n1 ZINC000825276144 608451443 /nfs/dbraw/zinc/45/14/43/608451443.db2.gz RCDMLDILNQWJQS-CQSZACIVSA-N 1 0 384.492 1.590 20 0 GDADRO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000823967195 608458922 /nfs/dbraw/zinc/45/89/22/608458922.db2.gz JYCKPGGPMMGPCE-LIRRHRJNSA-N 1 0 392.463 1.834 20 0 GDADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825565606 608463363 /nfs/dbraw/zinc/46/33/63/608463363.db2.gz WKSLHJQIBXZFPT-LLVKDONJSA-N 1 0 398.427 1.066 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826188045 608472429 /nfs/dbraw/zinc/47/24/29/608472429.db2.gz MEJLYKSSDMFRAJ-CYBMUJFWSA-N 1 0 396.451 1.851 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000826089926 608473255 /nfs/dbraw/zinc/47/32/55/608473255.db2.gz AQCXBAICOQCZRS-NSHDSACASA-N 1 0 390.444 1.765 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCCOc1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562316 608490424 /nfs/dbraw/zinc/49/04/24/608490424.db2.gz FKCNVZSCJYFTEI-ZDUSSCGKSA-N 1 0 384.415 1.852 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000530438872 649975918 /nfs/dbraw/zinc/97/59/18/649975918.db2.gz AVIGLBUEFUXVQQ-BZUAXINKSA-N 1 0 375.535 1.216 20 0 GDADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826166767 608522961 /nfs/dbraw/zinc/52/29/61/608522961.db2.gz ZYDMXGZUXOWCMW-HOTGVXAUSA-N 1 0 390.513 1.975 20 0 GDADRO COc1ccc([C@@H](C)C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000826188164 608590549 /nfs/dbraw/zinc/59/05/49/608590549.db2.gz PABDMVRZFHVHDF-LSDHHAIUSA-N 1 0 394.483 1.980 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824909402 608653525 /nfs/dbraw/zinc/65/35/25/608653525.db2.gz TUWSWUDZGGHGSW-GJZGRUSLSA-N 1 0 375.546 1.919 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000824907947 608811389 /nfs/dbraw/zinc/81/13/89/608811389.db2.gz LIIVAHCMSVQBFB-STQMWFEESA-N 1 0 380.456 1.746 20 0 GDADRO c1ccc(C[N@@H+]2CC[C@H](N3CCN(c4ncccc4-c4nn[nH]n4)CC3)C2)cc1 ZINC000826521617 608873198 /nfs/dbraw/zinc/87/31/98/608873198.db2.gz SIWKLVXQSWTLIJ-SFHVURJKSA-N 1 0 390.495 1.658 20 0 GDADRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824586037 609141401 /nfs/dbraw/zinc/14/14/01/609141401.db2.gz WMBBVKSWFRIQEG-GXTWGEPZSA-N 1 0 375.452 1.244 20 0 GDADRO C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826022968 609173578 /nfs/dbraw/zinc/17/35/78/609173578.db2.gz UMKTVWAMSPOZOO-KRWDZBQOSA-N 1 0 383.500 1.684 20 0 GDADRO CN1CC[N@H+](CCCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](c2ccccc2)C1 ZINC000826037723 609195511 /nfs/dbraw/zinc/19/55/11/609195511.db2.gz BCCQWINKKNFMLV-SFHVURJKSA-N 1 0 394.483 1.303 20 0 GDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824770543 609210175 /nfs/dbraw/zinc/21/01/75/609210175.db2.gz LPVVTRUAJTVJMM-NIKGAXFTSA-N 1 0 392.463 1.852 20 0 GDADRO C[NH+](C)C1(CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)Cc2ccccc2C1 ZINC000825848484 609236746 /nfs/dbraw/zinc/23/67/46/609236746.db2.gz DLVFREPGMSAFEX-SFHVURJKSA-N 1 0 392.463 1.116 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825210756 609238838 /nfs/dbraw/zinc/23/88/38/609238838.db2.gz IYOLMSVWVFWPEG-WOSRLPQWSA-N 1 0 378.502 1.577 20 0 GDADRO CC[N@@H+]1CC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000825453703 609242077 /nfs/dbraw/zinc/24/20/77/609242077.db2.gz WNCVPQICIJXALP-KBXCAEBGSA-N 1 0 385.516 1.970 20 0 GDADRO C[C@@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000824540489 609248588 /nfs/dbraw/zinc/24/85/88/609248588.db2.gz YZLJILMFIMIOQC-GFCCVEGCSA-N 1 0 384.465 1.854 20 0 GDADRO CN(C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825812262 609248843 /nfs/dbraw/zinc/24/88/43/609248843.db2.gz JMODGEGYYYSXOQ-MOPGFXCFSA-N 1 0 392.463 1.633 20 0 GDADRO O=C(CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407233 609282054 /nfs/dbraw/zinc/28/20/54/609282054.db2.gz GGOSIJODXVEVRD-FQEVSTJZSA-N 1 0 396.426 1.928 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000825870524 609292193 /nfs/dbraw/zinc/29/21/93/609292193.db2.gz PWDUNOAHXWXPST-UHFFFAOYSA-N 1 0 378.864 1.703 20 0 GDADRO Cc1nc(N)nc(C)c1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826326790 609299131 /nfs/dbraw/zinc/29/91/31/609299131.db2.gz DYBFQRQQYLGXJY-UHFFFAOYSA-N 1 0 395.471 1.060 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000825341897 609326370 /nfs/dbraw/zinc/32/63/70/609326370.db2.gz MLHSBDPOTGWHMX-GFCCVEGCSA-N 1 0 396.492 1.861 20 0 GDADRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1=O ZINC000824899513 609341199 /nfs/dbraw/zinc/34/11/99/609341199.db2.gz KOIBAJWQEUJGLZ-JLZZUVOBSA-N 1 0 392.467 1.366 20 0 GDADRO Cn1cc(C[NH2+]Cc2ccc(C(N)=O)nc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361693 609341986 /nfs/dbraw/zinc/34/19/86/609341986.db2.gz JMOJYRTYNUYFPT-UHFFFAOYSA-N 1 0 389.423 1.051 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000826034243 609355911 /nfs/dbraw/zinc/35/59/11/609355911.db2.gz PALLBXZGALIUKC-LLVKDONJSA-N 1 0 385.407 1.407 20 0 GDADRO Brc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000823821740 609357975 /nfs/dbraw/zinc/35/79/75/609357975.db2.gz YZEWDSDNFVKTEF-UHFFFAOYSA-N 1 0 380.246 1.968 20 0 GDADRO CC[N@@H+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C[C@@H]1C ZINC000825459399 609358710 /nfs/dbraw/zinc/35/87/10/609358710.db2.gz KABIJVHXILBVNG-LBPRGKRZSA-N 1 0 399.434 1.749 20 0 GDADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000823821666 609361120 /nfs/dbraw/zinc/36/11/20/609361120.db2.gz XKXDSQCQLRNVQH-AWEZNQCLSA-N 1 0 393.289 1.536 20 0 GDADRO OCCCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826509848 609368268 /nfs/dbraw/zinc/36/82/68/609368268.db2.gz MQZJUXFKDRELML-UHFFFAOYSA-N 1 0 395.305 1.519 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCCC[C@H]2O)c(-c2nn[nH]n2)c1C ZINC000826340487 609379282 /nfs/dbraw/zinc/37/92/82/609379282.db2.gz ACYRICFDSQBTRP-IACUBPJLSA-N 1 0 376.461 1.886 20 0 GDADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNc2nc3c(cc2-c2nn[nH]n2)CCC3)C1 ZINC000826507954 609387949 /nfs/dbraw/zinc/38/79/49/609387949.db2.gz ZKVXAEBVGFQSOR-QGZVFWFLSA-N 1 0 391.479 1.929 20 0 GDADRO CC(=O)NC1CCC([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000823988828 609414355 /nfs/dbraw/zinc/41/43/55/609414355.db2.gz KBYIDJCKYNUDBN-LEOMRAHMSA-N 1 0 397.483 1.399 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476274 609417809 /nfs/dbraw/zinc/41/78/09/609417809.db2.gz DVWZRPZKVLMIFT-BRSBDYLESA-N 1 0 382.468 1.909 20 0 GDADRO O=S(=O)(CC[NH2+][C@H](CO)C1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826484684 609429147 /nfs/dbraw/zinc/42/91/47/609429147.db2.gz LIXFFXNLLIRZSM-MRXNPFEDSA-N 1 0 379.486 1.171 20 0 GDADRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826098847 609495004 /nfs/dbraw/zinc/49/50/04/609495004.db2.gz RCFSLRNNEWINCS-AWEZNQCLSA-N 1 0 383.456 1.926 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000824974770 609551692 /nfs/dbraw/zinc/55/16/92/609551692.db2.gz FRJDJEDFUQUYGN-ZWNOBZJWSA-N 1 0 384.893 1.527 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000531946786 650002405 /nfs/dbraw/zinc/00/24/05/650002405.db2.gz SQEXZHXPKKSZGC-AWEZNQCLSA-N 1 0 391.559 1.259 20 0 GDADRO Cc1ncc(S(=O)(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000532859860 650037319 /nfs/dbraw/zinc/03/73/19/650037319.db2.gz ZDSZTJDRSOYKKB-UHFFFAOYSA-N 1 0 380.539 1.548 20 0 GDADRO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C[C@@H](C)O ZINC000532961543 650038872 /nfs/dbraw/zinc/03/88/72/650038872.db2.gz QZHGDJQQGMLDNB-GFCCVEGCSA-N 1 0 391.921 1.620 20 0 GDADRO COC(=O)c1csc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000532885792 650037933 /nfs/dbraw/zinc/03/79/33/650037933.db2.gz NYOOTPKTNZVEBG-LLVKDONJSA-N 1 0 381.479 1.954 20 0 GDADRO NC(=O)CC[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000532944366 650038300 /nfs/dbraw/zinc/03/83/00/650038300.db2.gz GVPSDVWWBFQDLN-GFCCVEGCSA-N 1 0 393.285 1.935 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000532986696 650039111 /nfs/dbraw/zinc/03/91/11/650039111.db2.gz VPCVGZNLSNJMBG-OAHLLOKOSA-N 1 0 395.301 1.346 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CSc2nnnn2CC(F)(F)F)C1 ZINC000533194595 650046523 /nfs/dbraw/zinc/04/65/23/650046523.db2.gz UVAQVJFMSOVHGF-WDEREUQCSA-N 1 0 378.424 1.270 20 0 GDADRO CCC[NH+](CCC)CCCNC(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000533879783 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[NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000161777320 644855148 /nfs/dbraw/zinc/85/51/48/644855148.db2.gz MCLLLZYBKIFTOI-CHWSQXEVSA-N 1 0 385.452 1.714 20 0 GDADRO [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000568407522 650957594 /nfs/dbraw/zinc/95/75/94/650957594.db2.gz YQVQMSXJSRAOIK-UUCFBXCCSA-N 1 0 383.539 1.631 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000174234408 644898833 /nfs/dbraw/zinc/89/88/33/644898833.db2.gz BAQXNMBFFQFNOO-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000175451840 644906441 /nfs/dbraw/zinc/90/64/41/644906441.db2.gz ANGCLYWTHAPJQO-UHFFFAOYSA-N 1 0 378.926 1.550 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c(Br)o1 ZINC000178928157 644928971 /nfs/dbraw/zinc/92/89/71/644928971.db2.gz YSLHFXKWAWZVSH-MRVPVSSYSA-N 1 0 395.275 1.577 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccnc1Br ZINC000179621593 644934908 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GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000261628159 645114519 /nfs/dbraw/zinc/11/45/19/645114519.db2.gz CMSFRESDHHFFBC-GHMZBOCLSA-N 1 0 394.269 1.631 20 0 GDADRO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000261738491 645116163 /nfs/dbraw/zinc/11/61/63/645116163.db2.gz MFXTZSCIJPIFJX-AWEZNQCLSA-N 1 0 389.543 1.056 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000261961675 645119863 /nfs/dbraw/zinc/11/98/63/645119863.db2.gz HIMUDGXRFIIKSV-GFCCVEGCSA-N 1 0 389.905 1.552 20 0 GDADRO O=C(C[C@H]1COCC[NH2+]1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000262224917 645125488 /nfs/dbraw/zinc/12/54/88/645125488.db2.gz PNNRLFNFRNTXHF-HNNXBMFYSA-N 1 0 396.285 1.112 20 0 GDADRO CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C)C[NH3+] ZINC000262523638 645133673 /nfs/dbraw/zinc/13/36/73/645133673.db2.gz JNLKWWXNJAHCOZ-GXFFZTMASA-N 1 0 392.319 1.215 20 0 GDADRO [NH3+]C1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000262751438 645137257 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388.281 1.503 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)ccc1Cl ZINC000370014098 645667022 /nfs/dbraw/zinc/66/70/22/645667022.db2.gz XYCXAMVSCSMIGE-GFCCVEGCSA-N 1 0 375.878 1.394 20 0 GDADRO COc1cc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)ncc1Br ZINC000570394859 651039030 /nfs/dbraw/zinc/03/90/30/651039030.db2.gz QWWBONWUNDMWJL-UHFFFAOYSA-N 1 0 381.234 1.621 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371237638 645731639 /nfs/dbraw/zinc/73/16/39/645731639.db2.gz UOIXJJSGZONGOZ-PWSUYJOCSA-N 1 0 379.262 1.491 20 0 GDADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000372398791 645812155 /nfs/dbraw/zinc/81/21/55/645812155.db2.gz VJWUBGPZJVUNCD-UHFFFAOYSA-N 1 0 390.502 1.478 20 0 GDADRO CS[C@H](CO)[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000570632312 651047692 /nfs/dbraw/zinc/04/76/92/651047692.db2.gz JSRIQFWJHMYNOM-ZWNOBZJWSA-N 1 0 382.345 1.925 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000570632502 651047840 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C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415510673 645895235 /nfs/dbraw/zinc/89/52/35/645895235.db2.gz KSFKZJWAVSBDLE-LLVKDONJSA-N 1 0 394.273 1.343 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415511727 645895850 /nfs/dbraw/zinc/89/58/50/645895850.db2.gz QVKGQCSKAWWBRF-ZETCQYMHSA-N 1 0 393.079 1.861 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415512744 645895866 /nfs/dbraw/zinc/89/58/66/645895866.db2.gz UYCGUGUVAFMANI-SSDOTTSWSA-N 1 0 398.179 1.997 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1)C1CC1 ZINC000415534783 645897469 /nfs/dbraw/zinc/89/74/69/645897469.db2.gz BXTNKGHTRWFXFX-LBPRGKRZSA-N 1 0 392.257 1.427 20 0 GDADRO C[NH+](C)C1(CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000416292962 645900836 /nfs/dbraw/zinc/90/08/36/645900836.db2.gz SYPHQIYLKYGZAT-UHFFFAOYSA-N 1 0 393.285 1.760 20 0 GDADRO C[NH+](C)C1(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000416302091 645901357 /nfs/dbraw/zinc/90/13/57/645901357.db2.gz 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C[C@H]1CCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000419400406 645916180 /nfs/dbraw/zinc/91/61/80/645916180.db2.gz KWBNENJJRCZZNR-WDEREUQCSA-N 1 0 389.283 1.327 20 0 GDADRO O=C(NCc1ccc(O)c(Br)c1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419418202 645916783 /nfs/dbraw/zinc/91/67/83/645916783.db2.gz XYTCFCHZXSCLRZ-UHFFFAOYSA-N 1 0 396.285 1.373 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)NCC1(c2ccccc2Br)CC1)C1CC1 ZINC000419465377 645919682 /nfs/dbraw/zinc/91/96/82/645919682.db2.gz SVMBOTAGTDALNX-CQSZACIVSA-N 1 0 380.286 1.450 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000419464149 645919827 /nfs/dbraw/zinc/91/98/27/645919827.db2.gz QRSHNNQIXBZEFV-CYBMUJFWSA-N 1 0 394.313 1.665 20 0 GDADRO CC(C)(CNC(=O)C(=O)NC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000419523027 645923014 /nfs/dbraw/zinc/92/30/14/645923014.db2.gz NULBPJAPSOHSTI-UHFFFAOYSA-N 1 0 382.302 1.711 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419524787 645923050 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20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420062407 645934346 /nfs/dbraw/zinc/93/43/46/645934346.db2.gz MJGXSNAPEDINBI-CJNGLKHVSA-N 1 0 394.313 1.966 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)CC2 ZINC000420189642 645938037 /nfs/dbraw/zinc/93/80/37/645938037.db2.gz GIIIDBJKTWXYQE-IUODEOHRSA-N 1 0 394.313 1.886 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000420193898 645939277 /nfs/dbraw/zinc/93/92/77/645939277.db2.gz RZBPFMTYKMPVQE-RISCZKNCSA-N 1 0 396.285 1.414 20 0 GDADRO C[NH2+]CCCN(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000420383083 645942205 /nfs/dbraw/zinc/94/22/05/645942205.db2.gz BHJTUOMIVQMXDN-UHFFFAOYSA-N 1 0 376.910 1.070 20 0 GDADRO C[C@@H]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000420386030 645942559 /nfs/dbraw/zinc/94/25/59/645942559.db2.gz UJCYJQHAOGSHCE-CHWSQXEVSA-N 1 0 397.317 1.421 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(Cl)cc1F ZINC000420476680 645944199 /nfs/dbraw/zinc/94/41/99/645944199.db2.gz IVDOVGCLLYAUEE-LBPRGKRZSA-N 1 0 387.868 1.864 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1OC ZINC000420732778 645957896 /nfs/dbraw/zinc/95/78/96/645957896.db2.gz HHYOHNDMAWUOKV-GFCCVEGCSA-N 1 0 389.905 1.423 20 0 GDADRO CO[C@H](Cc1ccccc1)CS(=O)(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000420739785 645960538 /nfs/dbraw/zinc/96/05/38/645960538.db2.gz ZJRLFPMLXFSSNY-QGZVFWFLSA-N 1 0 386.583 1.991 20 0 GDADRO CNC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000420970815 645976610 /nfs/dbraw/zinc/97/66/10/645976610.db2.gz HDSPHBWVDBNXSL-GXTWGEPZSA-N 1 0 382.302 1.864 20 0 GDADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCc2ccc(Br)cc2)C1 ZINC000421231488 645993768 /nfs/dbraw/zinc/99/37/68/645993768.db2.gz XBYVHONZZSBRKS-CQSZACIVSA-N 1 0 382.302 1.913 20 0 GDADRO COc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc1Br ZINC000421304176 646003287 /nfs/dbraw/zinc/00/32/87/646003287.db2.gz TULKGLUUWZWVCT-LBPRGKRZSA-N 1 0 384.274 1.949 20 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C[C@@H]1CN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)C[C@@H](C)[NH2+]1 ZINC000423008282 646108821 /nfs/dbraw/zinc/10/88/21/646108821.db2.gz ZRKOCZIISQVFRR-CHWSQXEVSA-N 1 0 398.301 1.495 20 0 GDADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423013451 646108887 /nfs/dbraw/zinc/10/88/87/646108887.db2.gz MUHNVMPXNNXEPT-ZDUSSCGKSA-N 1 0 384.933 1.256 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000423126953 646115796 /nfs/dbraw/zinc/11/57/96/646115796.db2.gz BIFBDCXLZVRPSG-GHMZBOCLSA-N 1 0 388.331 1.912 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000423174422 646117930 /nfs/dbraw/zinc/11/79/30/646117930.db2.gz APNPNTVOSJRPRV-LBPRGKRZSA-N 1 0 388.295 1.525 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423235611 646120031 /nfs/dbraw/zinc/12/00/31/646120031.db2.gz GSBMPXQOHHWSES-LSDHHAIUSA-N 1 0 394.313 1.518 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423235614 646120667 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1.681 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000423584033 646133929 /nfs/dbraw/zinc/13/39/29/646133929.db2.gz CQMPUQSRTOBQCF-FZMZJTMJSA-N 1 0 381.274 1.315 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000423678219 646142694 /nfs/dbraw/zinc/14/26/94/646142694.db2.gz SGVRUROIOIKJGW-CHWSQXEVSA-N 1 0 384.933 1.241 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)C2)s1 ZINC000423946012 646145188 /nfs/dbraw/zinc/14/51/88/646145188.db2.gz BNKUWDAOMOZQIN-ZIAGYGMSSA-N 1 0 387.571 1.947 20 0 GDADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)C(=O)c1ccc(Br)cc1 ZINC000423954926 646146328 /nfs/dbraw/zinc/14/63/28/646146328.db2.gz SFRZMAAXMIJXID-UHFFFAOYSA-N 1 0 394.313 1.964 20 0 GDADRO O=C(N1CCN(Cc2cc(Br)ccc2F)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423988107 646149699 /nfs/dbraw/zinc/14/96/99/646149699.db2.gz FOZPQJRXHNLXPQ-DYVFJYSZSA-N 1 0 382.277 1.984 20 0 GDADRO C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C[C@H]1C[NH3+] 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C[NH+](C)Cc1ccc(S(=O)(=O)NCCC2N=NC(=S)N2C2CC2)cc1 ZINC000917224864 660208443 /nfs/dbraw/zinc/20/84/43/660208443.db2.gz XENSBRDAYCIMJQ-UHFFFAOYSA-N 1 0 381.527 1.484 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)Cc1ccsc1Br ZINC000917236958 660208955 /nfs/dbraw/zinc/20/89/55/660208955.db2.gz HQFSBMIUFOGICF-UHFFFAOYSA-N 1 0 398.392 1.814 20 0 GDADRO COc1cc(Br)cc(CNC(=O)NC2CC[NH+](CCO)CC2)c1 ZINC000917836008 660222489 /nfs/dbraw/zinc/22/24/89/660222489.db2.gz AAALWZYPYCGMIQ-UHFFFAOYSA-N 1 0 386.290 1.714 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000917959514 660226095 /nfs/dbraw/zinc/22/60/95/660226095.db2.gz GNSIXAMLYLLBHL-UONOGXRCSA-N 1 0 397.321 1.331 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2)CC1 ZINC000917902682 660224343 /nfs/dbraw/zinc/22/43/43/660224343.db2.gz CIBAEMFYJWTFRP-UHFFFAOYSA-N 1 0 379.313 1.256 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)s1 ZINC000918351714 660234217 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GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000918963036 660244028 /nfs/dbraw/zinc/24/40/28/660244028.db2.gz QKEDWHMNHKMMAK-AWEZNQCLSA-N 1 0 390.918 1.422 20 0 GDADRO Cn1cc(CNC(=O)NCCCC[NH+]2CCN(C)CC2)c(Br)n1 ZINC000919502668 660253199 /nfs/dbraw/zinc/25/31/99/660253199.db2.gz QPELEFFEVPULBX-UHFFFAOYSA-N 1 0 387.326 1.009 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000919636193 660255637 /nfs/dbraw/zinc/25/56/37/660255637.db2.gz UQAQWCBXQASZLO-ZIAGYGMSSA-N 1 0 398.305 1.806 20 0 GDADRO CO[C@]1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCS(=O)(=O)C1 ZINC000919652161 660255921 /nfs/dbraw/zinc/25/59/21/660255921.db2.gz VQFXXGZSZPKFFN-KRWDZBQOSA-N 1 0 375.535 1.146 20 0 GDADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccccc1S(=O)(=O)NC ZINC000442955006 647164671 /nfs/dbraw/zinc/16/46/71/647164671.db2.gz VAXUCZKBGGTYLF-UHFFFAOYSA-N 1 0 391.559 1.385 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000443051692 647177319 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CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C(F)F)o1)C2 ZINC000920274174 660268560 /nfs/dbraw/zinc/26/85/60/660268560.db2.gz MQAVAYJRAZHPNC-JDOCFBBISA-N 1 0 378.441 1.975 20 0 GDADRO CO[C@H](CC(C)C)CS(=O)(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920273691 660268619 /nfs/dbraw/zinc/26/86/19/660268619.db2.gz JISFKGIFURLHSD-HSFUPAIVSA-N 1 0 376.563 1.447 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)o1 ZINC000445744378 647273115 /nfs/dbraw/zinc/27/31/15/647273115.db2.gz SLGMAANKAUSJEG-TZMCWYRMSA-N 1 0 388.511 1.657 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)N(C)CC3)C[C@@H]1[NH+]1CCCC1 ZINC000445745809 647273670 /nfs/dbraw/zinc/27/36/70/647273670.db2.gz ZAILUHDHPKUOSB-ZWKOTPCHSA-N 1 0 381.567 1.879 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccsc2Cl)CC1 ZINC000446053681 647278649 /nfs/dbraw/zinc/27/86/49/647278649.db2.gz MCQIYUXVNXSTFH-UHFFFAOYSA-N 1 0 386.905 1.399 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(S(N)(=O)=O)s2)C1 ZINC000446922975 647297785 /nfs/dbraw/zinc/29/77/85/647297785.db2.gz PRQRBUWFXBMLTD-LLVKDONJSA-N 1 0 375.516 1.208 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000446927796 647298272 /nfs/dbraw/zinc/29/82/72/647298272.db2.gz INFOIUDKMKHQRZ-KMUNFCNLSA-N 1 0 378.416 1.976 20 0 GDADRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000452037710 647305314 /nfs/dbraw/zinc/30/53/14/647305314.db2.gz VQWBGHAFKQWYGS-UKRRQHHQSA-N 1 0 389.905 1.863 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000453736339 647331711 /nfs/dbraw/zinc/33/17/11/647331711.db2.gz QGDXXBAGXJBTDL-NSHDSACASA-N 1 0 399.289 1.006 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000453802522 647337068 /nfs/dbraw/zinc/33/70/68/647337068.db2.gz DCFCYFBLYUXASD-LBPRGKRZSA-N 1 0 399.289 1.054 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ncc1Br ZINC000453806536 647338199 /nfs/dbraw/zinc/33/81/99/647338199.db2.gz NVPHIVDAGIMWIH-LBPRGKRZSA-N 1 0 399.289 1.054 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C(=O)Nc1ccc(Br)cc1 ZINC000453815813 647339536 /nfs/dbraw/zinc/33/95/36/647339536.db2.gz IBQXEIOTLZQEMK-CQSZACIVSA-N 1 0 384.274 1.351 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)NC2CCC(CS(C)(=O)=O)CC2)CCSC1 ZINC000454612179 647358099 /nfs/dbraw/zinc/35/80/99/647358099.db2.gz RQTHOSBSUKCUNZ-XUJLQICISA-N 1 0 377.576 1.326 20 0 GDADRO Cn1cc(I)c(CNC(=O)N2CC[NH+]3CCC2CC3)n1 ZINC000455468952 647381692 /nfs/dbraw/zinc/38/16/92/647381692.db2.gz VPQWNXRJISICKA-UHFFFAOYSA-N 1 0 389.241 1.014 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000921175356 660283620 /nfs/dbraw/zinc/28/36/20/660283620.db2.gz XKKOUCDOOVGQLK-GJZGRUSLSA-N 1 0 388.921 1.405 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000457205771 647415275 /nfs/dbraw/zinc/41/52/75/647415275.db2.gz LAKABTDRKDALMA-UHFFFAOYSA-N 1 0 391.331 1.820 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000457362129 647418466 /nfs/dbraw/zinc/41/84/66/647418466.db2.gz MIUUYPRREVGGMA-LLVKDONJSA-N 1 0 389.315 1.972 20 0 GDADRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2nn(C)cc2Br)CCCO1 ZINC000458722872 647450007 /nfs/dbraw/zinc/45/00/07/647450007.db2.gz OLMWXCVMHRBOAY-GFCCVEGCSA-N 1 0 388.310 1.483 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000458986892 647453689 /nfs/dbraw/zinc/45/36/89/647453689.db2.gz SIUGRFFGQIZRBV-ARFHVFGLSA-N 1 0 376.567 1.514 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)N2CCn3c(cnc3C(F)(F)F)C2)CCSC1 ZINC000921311951 660286244 /nfs/dbraw/zinc/28/62/44/660286244.db2.gz JXXXKYRMAQLXFS-AWEZNQCLSA-N 1 0 377.436 1.864 20 0 GDADRO O[C@@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)Cn1ccnn1 ZINC000459693216 647464394 /nfs/dbraw/zinc/46/43/94/647464394.db2.gz INVMPBRYYMPVSW-HNNXBMFYSA-N 1 0 377.246 1.377 20 0 GDADRO CCOc1cc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc(Br)c1OC ZINC000459705556 647465021 /nfs/dbraw/zinc/46/50/21/647465021.db2.gz UQJRIUJRHTZKKU-GFCCVEGCSA-N 1 0 385.262 1.599 20 0 GDADRO O[C@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)Cn1ccnn1 ZINC000459706454 647465107 /nfs/dbraw/zinc/46/51/07/647465107.db2.gz VOSPJRGOMSGIQP-SNVBAGLBSA-N 1 0 377.189 1.793 20 0 GDADRO C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)Oc1cccc(Br)c1 ZINC000460255093 647468241 /nfs/dbraw/zinc/46/82/41/647468241.db2.gz FDKYDYNLBBNSIT-LRDDRELGSA-N 1 0 386.290 1.582 20 0 GDADRO C[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)Oc1ccccc1Br ZINC000460260038 647468847 /nfs/dbraw/zinc/46/88/47/647468847.db2.gz BLEUGRLFQBNOOT-WBMJQRKESA-N 1 0 386.290 1.582 20 0 GDADRO CSC1(CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)CC[NH+](C)CC1 ZINC000460971250 647481512 /nfs/dbraw/zinc/48/15/12/647481512.db2.gz SVKHHRIJNPWPBO-UHFFFAOYSA-N 1 0 385.555 1.217 20 0 GDADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000461902087 647503258 /nfs/dbraw/zinc/50/32/58/647503258.db2.gz QGGWKEPPQJPREF-NSHDSACASA-N 1 0 391.287 1.578 20 0 GDADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000461903458 647503549 /nfs/dbraw/zinc/50/35/49/647503549.db2.gz UIOQKBPECTWYTI-CYBMUJFWSA-N 1 0 379.404 1.337 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462407376 647526883 /nfs/dbraw/zinc/52/68/83/647526883.db2.gz FSFHPNYWLJYRHG-CYBMUJFWSA-N 1 0 392.262 1.665 20 0 GDADRO O=C(CN1CC[C@]2(CC[NH2+]C2)C1)Nc1ccc(I)cc1 ZINC000462406749 647526928 /nfs/dbraw/zinc/52/69/28/647526928.db2.gz JPGMKZKDDMEBMW-HNNXBMFYSA-N 1 0 385.249 1.915 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462884953 647546961 /nfs/dbraw/zinc/54/69/61/647546961.db2.gz RVVBROZRBWLWSG-JKSUJKDBSA-N 1 0 385.917 1.513 20 0 GDADRO CN(CC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C(=O)c1ccc(Br)o1 ZINC000462895265 647546974 /nfs/dbraw/zinc/54/69/74/647546974.db2.gz KNRLOMBFWWZKNP-NWDGAFQWSA-N 1 0 384.274 1.618 20 0 GDADRO C[NH+](C)CCOCCNC(=O)Nc1ccc(I)cc1 ZINC000463242629 647555078 /nfs/dbraw/zinc/55/50/78/647555078.db2.gz KIOFVVJDIXTTIT-UHFFFAOYSA-N 1 0 377.226 1.991 20 0 GDADRO COCCn1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cn1 ZINC000466380616 647612071 /nfs/dbraw/zinc/61/20/71/647612071.db2.gz CEXUBCXKJLVMFI-UHFFFAOYSA-N 1 0 386.905 1.641 20 0 GDADRO CC[NH+](CC)CCOC1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000467017110 647625889 /nfs/dbraw/zinc/62/58/89/647625889.db2.gz OGMAUEFFKMYYDS-UHFFFAOYSA-N 1 0 387.322 1.870 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000467671794 647649478 /nfs/dbraw/zinc/64/94/78/647649478.db2.gz OKJYAHHMMRQKHX-AWEZNQCLSA-N 1 0 387.933 1.951 20 0 GDADRO CC(C)[NH+](CCCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(C)C ZINC000467797425 647652019 /nfs/dbraw/zinc/65/20/19/647652019.db2.gz IZRIDCPSJBVGLH-UHFFFAOYSA-N 1 0 377.532 1.121 20 0 GDADRO COc1ccc(Br)c(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000468595516 647663272 /nfs/dbraw/zinc/66/32/72/647663272.db2.gz DZZZNCRUKZBJQP-ZDUSSCGKSA-N 1 0 398.301 1.484 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC000470744661 647731795 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CCO[C@@H](CNS(=O)(=O)c1ccc(OC)c(Br)c1)C[NH+](C)C ZINC000921640074 660318185 /nfs/dbraw/zinc/31/81/85/660318185.db2.gz LHQFWDLEIUFIAY-NSHDSACASA-N 1 0 395.319 1.703 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)C[NH+](C)C ZINC000921644855 660318330 /nfs/dbraw/zinc/31/83/30/660318330.db2.gz RZKZHOIRSPLQHW-NSHDSACASA-N 1 0 378.878 1.372 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000478899616 647819747 /nfs/dbraw/zinc/81/97/47/647819747.db2.gz QXNAHYQKFQQUIC-AWEZNQCLSA-N 1 0 397.317 1.366 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1C ZINC000479316105 647828021 /nfs/dbraw/zinc/82/80/21/647828021.db2.gz JWUCJOKJLCNWHJ-AWEZNQCLSA-N 1 0 391.559 1.158 20 0 GDADRO CC(C)(CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C[NH+]1CCCC1 ZINC000480763484 647856232 /nfs/dbraw/zinc/85/62/32/647856232.db2.gz WFBZGONIKBENBT-UHFFFAOYSA-N 1 0 388.555 1.632 20 0 GDADRO CCn1c(C[NH2+]C[C@](C)(O)COC)nc(Br)c1Br ZINC000921733560 660327921 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CS(=O)(=O)CC1(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000517922282 648581443 /nfs/dbraw/zinc/58/14/43/648581443.db2.gz FJAVAHBAAXZXSK-ZDUSSCGKSA-N 1 0 381.416 1.860 20 0 GDADRO COCC[N@H+](C)C[C@H](O)Cn1c(C)nc2ccc(Br)cc2c1=O ZINC000518396319 648596623 /nfs/dbraw/zinc/59/66/23/648596623.db2.gz CAFHQCRHZQSUQK-ZDUSSCGKSA-N 1 0 384.274 1.407 20 0 GDADRO COc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(Br)c1 ZINC000518605485 648604229 /nfs/dbraw/zinc/60/42/29/648604229.db2.gz HSXXYOIMYMTVAE-AWEZNQCLSA-N 1 0 384.274 1.527 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1cccnc1 ZINC000518964915 648615828 /nfs/dbraw/zinc/61/58/28/648615828.db2.gz GAIHXHXDGMXYCR-CQSZACIVSA-N 1 0 385.873 1.043 20 0 GDADRO C[NH+](C)C1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000519040584 648619264 /nfs/dbraw/zinc/61/92/64/648619264.db2.gz MWVJRSDGWKMFBZ-UHFFFAOYSA-N 1 0 399.822 1.410 20 0 GDADRO O=C1CN(CCC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCN1 ZINC000519832386 648642068 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C[C@@H](CCC[NH3+])NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000571046386 651064452 /nfs/dbraw/zinc/06/44/52/651064452.db2.gz HWYWLOLNNNQDIX-NSHDSACASA-N 1 0 392.319 1.361 20 0 GDADRO CC(C)[C@@](C)(CO)[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000571128334 651065910 /nfs/dbraw/zinc/06/59/10/651065910.db2.gz UHZWLOFSCWTFFV-WMLDXEAASA-N 1 0 388.555 1.260 20 0 GDADRO O=c1ccn(Cc2cccc(Br)c2)c(=O)n1CC1CC[NH2+]CC1 ZINC000571281605 651071369 /nfs/dbraw/zinc/07/13/69/651071369.db2.gz HZICSQGQSRWOQP-UHFFFAOYSA-N 1 0 378.270 1.820 20 0 GDADRO CC[C@H](C)[NH2+][C@H](CNC(=O)CNS(=O)(=O)c1cccs1)c1ccco1 ZINC000571488673 651078104 /nfs/dbraw/zinc/07/81/04/651078104.db2.gz QSLAUXRTBFOENQ-QWHCGFSZSA-N 1 0 385.511 1.865 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1C(F)(F)F ZINC000571561505 651079528 /nfs/dbraw/zinc/07/95/28/651079528.db2.gz QGUPQXMVHDSEFL-CYBMUJFWSA-N 1 0 377.432 1.682 20 0 GDADRO COC(C)(C)CS(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000571568428 651079637 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C[C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000572640840 651101040 /nfs/dbraw/zinc/10/10/40/651101040.db2.gz IPZKNEVMWRXZIQ-FOGDFJRCSA-N 1 0 394.269 1.690 20 0 GDADRO CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)C[C@H]3CCCC3(F)F)C2)CC1 ZINC000573060342 651466768 /nfs/dbraw/zinc/46/67/68/651466768.db2.gz RRRHUJHJKUKSIE-CVEARBPZSA-N 1 0 379.517 1.852 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573096256 651467752 /nfs/dbraw/zinc/46/77/52/651467752.db2.gz VHEYEODFECLIGR-HNNXBMFYSA-N 1 0 386.315 1.729 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000573119907 651468710 /nfs/dbraw/zinc/46/87/10/651468710.db2.gz VCTQJDAJPUDZAT-KBPBESRZSA-N 1 0 389.543 1.265 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000573119362 651468723 /nfs/dbraw/zinc/46/87/23/651468723.db2.gz PZVDUEDBJYFRMA-LBPRGKRZSA-N 1 0 389.315 1.823 20 0 GDADRO C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000573197873 651471173 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COc1cc(Br)cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000573817807 651497582 /nfs/dbraw/zinc/49/75/82/651497582.db2.gz WWGGREKYLYNJDN-DGCLKSJQSA-N 1 0 383.246 1.233 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2OC)C1 ZINC000573936577 651503028 /nfs/dbraw/zinc/50/30/28/651503028.db2.gz IWDOCMXGBMGPEW-VIFPVBQESA-N 1 0 390.665 1.870 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000574032036 651510439 /nfs/dbraw/zinc/51/04/39/651510439.db2.gz QHKYPCYXHSZLBO-DOMZBBRYSA-N 1 0 386.279 1.703 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(Cc3nc(-c4cccc(Br)c4)c[nH]3)CCN2C1=O ZINC000574171646 651520909 /nfs/dbraw/zinc/52/09/09/651520909.db2.gz YNDHAZURWPFUBV-UONOGXRCSA-N 1 0 390.285 1.583 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C[C@@H]1O ZINC000574438305 651542028 /nfs/dbraw/zinc/54/20/28/651542028.db2.gz FFYIBGJASFRMQM-KBPBESRZSA-N 1 0 381.889 1.146 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000574450228 651543481 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GDADRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCn2cc(Br)cn2)cc1 ZINC000575797749 651603917 /nfs/dbraw/zinc/60/39/17/651603917.db2.gz KIZXPPSSPJVRFM-AWEZNQCLSA-N 1 0 398.257 1.462 20 0 GDADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ncccc1Br ZINC000575861240 651609057 /nfs/dbraw/zinc/60/90/57/651609057.db2.gz NZAIELPZGAIDJX-OCCSQVGLSA-N 1 0 381.274 1.221 20 0 GDADRO OC[C@@H](C[NH2+]C[C@@H](O)Cn1cccn1)Cc1ccc(F)c(Br)c1 ZINC000575869110 651610226 /nfs/dbraw/zinc/61/02/26/651610226.db2.gz XZWCJSJDEAWOCR-ZIAGYGMSSA-N 1 0 386.265 1.586 20 0 GDADRO O=C(CC1CC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000575869597 651610462 /nfs/dbraw/zinc/61/04/62/651610462.db2.gz DBEARPAWAJAJGV-INIZCTEOSA-N 1 0 380.286 1.838 20 0 GDADRO O[C@@H](C[NH2+][C@H]1COc2cc(F)c(Br)cc21)CN1CCOCC1 ZINC000576340250 651655152 /nfs/dbraw/zinc/65/51/52/651655152.db2.gz JWLWLMMMPJLEHD-HZMBPMFUSA-N 1 0 375.238 1.304 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3cc(F)ccc3Br)CCN2C1=O ZINC000576480854 651668251 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20 0 GDADRO Cc1cccc(CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1Br ZINC000628585595 653109630 /nfs/dbraw/zinc/10/96/30/653109630.db2.gz MXVDVFIYASZECX-AWEZNQCLSA-N 1 0 382.302 1.756 20 0 GDADRO CC[NH+]1CCN(CCC(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000628795417 653118650 /nfs/dbraw/zinc/11/86/50/653118650.db2.gz BZPWJZHJUKPUEU-UHFFFAOYSA-N 1 0 385.306 1.497 20 0 GDADRO O=C(CSc1nnnn1CC(F)(F)F)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628965702 653128303 /nfs/dbraw/zinc/12/83/03/653128303.db2.gz BGYQMESAOMFZPE-LLVKDONJSA-N 1 0 378.424 1.461 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)c1ccc(Cl)c(Cl)c1 ZINC000628968623 653128686 /nfs/dbraw/zinc/12/86/86/653128686.db2.gz LDQSZQQRMIDDDP-QWHCGFSZSA-N 1 0 387.267 1.701 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628967715 653128708 /nfs/dbraw/zinc/12/87/08/653128708.db2.gz HCIZHVKDRZOCAX-OAHLLOKOSA-N 1 0 385.917 1.751 20 0 GDADRO CN(C)S(=O)(=O)CCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628969542 653128903 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C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N(C)CCC[NH3+] ZINC000629822998 653184202 /nfs/dbraw/zinc/18/42/02/653184202.db2.gz XNHKHYZTSSQLBF-GXTWGEPZSA-N 1 0 382.302 1.961 20 0 GDADRO C[N@H+](CC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1)C1CCC1 ZINC000629978451 653195103 /nfs/dbraw/zinc/19/51/03/653195103.db2.gz UHKGTWIDBGVCHY-INIZCTEOSA-N 1 0 380.286 1.933 20 0 GDADRO O=C(c1c(F)cncc1Br)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000630592719 653217867 /nfs/dbraw/zinc/21/78/67/653217867.db2.gz XDJVMYIKSZBWGF-UHFFFAOYSA-N 1 0 385.281 1.837 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N(C)CC(=O)Nc2ccc(Br)cn2)CC[N@@H+]1C ZINC000630897090 653226004 /nfs/dbraw/zinc/22/60/04/653226004.db2.gz ICAOWHSAUBFYAT-QWHCGFSZSA-N 1 0 383.290 1.971 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H](O)C(F)(F)F ZINC000631233464 653232118 /nfs/dbraw/zinc/23/21/18/653232118.db2.gz JZHFDAOIIJHOSD-WKEGUHRASA-N 1 0 391.209 1.498 20 0 GDADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000631277955 653233279 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GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838474 653258267 /nfs/dbraw/zinc/25/82/67/653258267.db2.gz PCHZFSMCARRELM-CABCVRRESA-N 1 0 388.555 1.171 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000631901963 653265596 /nfs/dbraw/zinc/26/55/96/653265596.db2.gz QHKVGPDARFNSDM-JTQLQIEISA-N 1 0 388.291 1.078 20 0 GDADRO CN(Cc1ccc(Br)cc1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631909094 653266623 /nfs/dbraw/zinc/26/66/23/653266623.db2.gz PZSDLBWCIMNXKZ-UHFFFAOYSA-N 1 0 376.320 1.810 20 0 GDADRO CCN(Cc1cccc(Br)c1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631915593 653269321 /nfs/dbraw/zinc/26/93/21/653269321.db2.gz LARIQIRWNMABMH-CQSZACIVSA-N 1 0 377.304 1.589 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631916617 653269605 /nfs/dbraw/zinc/26/96/05/653269605.db2.gz ZYGXSTDIGAPNSA-GFCCVEGCSA-N 1 0 390.347 1.898 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CCc2c1cccc2Br ZINC000631918068 653270418 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Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000631949249 653277500 /nfs/dbraw/zinc/27/75/00/653277500.db2.gz YGJINVQKZIBCKB-KWQFWETISA-N 1 0 388.291 1.301 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000631954101 653278751 /nfs/dbraw/zinc/27/87/51/653278751.db2.gz BEVKUNRFGODWSP-SFYZADRCSA-N 1 0 394.341 1.587 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC/C=C\c1ccc(Br)cc1 ZINC000631954061 653278816 /nfs/dbraw/zinc/27/88/16/653278816.db2.gz ZZHVVJMBGHLKIV-BGGTVIOKSA-N 1 0 389.315 1.760 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1cc(F)c(Br)cc1F ZINC000631954510 653279134 /nfs/dbraw/zinc/27/91/34/653279134.db2.gz OFSCCCLHAGUDQG-SECBINFHSA-N 1 0 385.230 1.135 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631993369 653286156 /nfs/dbraw/zinc/28/61/56/653286156.db2.gz PVZLSOCHDGXHDB-PBHICJAKSA-N 1 0 386.539 1.633 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000632085089 653302182 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GDADRO C[C@]1(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C[NH2+]CCO1 ZINC000637896511 653531885 /nfs/dbraw/zinc/53/18/85/653531885.db2.gz TZZBYVVPIQGFHF-CYBMUJFWSA-N 1 0 377.754 1.396 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637968476 653533554 /nfs/dbraw/zinc/53/35/54/653533554.db2.gz ORDZOTBXQKGNKV-QGZVFWFLSA-N 1 0 398.301 1.958 20 0 GDADRO COC[C@]1(C(=O)N2CCC(n3cc(Br)cn3)CC2)CCCC[NH2+]1 ZINC000637990589 653534177 /nfs/dbraw/zinc/53/41/77/653534177.db2.gz IFJBQOVECMLWEO-INIZCTEOSA-N 1 0 385.306 1.968 20 0 GDADRO CC(C)CC[C@@H]([NH3+])C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000638000976 653534549 /nfs/dbraw/zinc/53/45/49/653534549.db2.gz QVNVZRBTHDTPAA-CYBMUJFWSA-N 1 0 387.468 1.565 20 0 GDADRO C[N@H+](CCCO)C1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000638081792 653536063 /nfs/dbraw/zinc/53/60/63/653536063.db2.gz CKJNOUXFAXZDGB-UHFFFAOYSA-N 1 0 375.922 1.266 20 0 GDADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000638108911 653536617 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LDZMLRAITTZYOU-HIFRSBDPSA-N 1 0 376.544 1.920 20 0 GDADRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000638565088 653540354 /nfs/dbraw/zinc/54/03/54/653540354.db2.gz YKQFXALCTVVSRL-CYBMUJFWSA-N 1 0 382.511 1.280 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638597563 653541624 /nfs/dbraw/zinc/54/16/24/653541624.db2.gz YDKWZBFQZYPEKU-RDBSUJKOSA-N 1 0 382.258 1.034 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)C[NH2+]1 ZINC000638648183 653541723 /nfs/dbraw/zinc/54/17/23/653541723.db2.gz LEHVJPMUQDETHV-PWSUYJOCSA-N 1 0 386.265 1.965 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)C[NH2+]1 ZINC000638652015 653541918 /nfs/dbraw/zinc/54/19/18/653541918.db2.gz ZOGMQBHHEBREFY-PWSUYJOCSA-N 1 0 375.288 1.480 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000638654010 653542007 /nfs/dbraw/zinc/54/20/07/653542007.db2.gz CPBHAOXAJBMEOT-MNOVXSKESA-N 1 0 394.324 1.919 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C[NH2+]1 ZINC000638654952 653542198 /nfs/dbraw/zinc/54/21/98/653542198.db2.gz NUMBRYUNFODLGZ-KGLIPLIRSA-N 1 0 385.555 1.722 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000638770531 653543032 /nfs/dbraw/zinc/54/30/32/653543032.db2.gz OMTFPSOWVITWFX-GXFFZTMASA-N 1 0 375.288 1.231 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768503 653543086 /nfs/dbraw/zinc/54/30/86/653543086.db2.gz CHSXSIUXSOQYSL-COPLHBTASA-N 1 0 389.315 1.726 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000638769684 653543113 /nfs/dbraw/zinc/54/31/13/653543113.db2.gz SNUJANJRHBTWBA-NILFDRSVSA-N 1 0 380.286 1.920 20 0 GDADRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000638772553 653543287 /nfs/dbraw/zinc/54/32/87/653543287.db2.gz UGEWHBITGWYTBO-QWRGUYRKSA-N 1 0 379.935 1.717 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]CC(C)(C)N2CCOCC2)c(C)s1 ZINC000638789336 653543717 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NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)s1 ZINC000639107081 653546521 /nfs/dbraw/zinc/54/65/21/653546521.db2.gz NWYCDFFRNNLZRT-JTQLQIEISA-N 1 0 394.440 1.754 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCCCn2cc(Br)cn2)s1 ZINC000639119645 653546597 /nfs/dbraw/zinc/54/65/97/653546597.db2.gz YQOIFEVZAWXQEA-UHFFFAOYSA-N 1 0 393.332 1.925 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639112564 653546758 /nfs/dbraw/zinc/54/67/58/653546758.db2.gz CXNBCBCEDIMQDP-ZDUSSCGKSA-N 1 0 387.933 1.673 20 0 GDADRO CO[C@@H](C[NH2+]CCNC(=O)c1ccc(Br)cn1)C1CCOCC1 ZINC000639304985 653549499 /nfs/dbraw/zinc/54/94/99/653549499.db2.gz HAQZYKFZCGCODY-HNNXBMFYSA-N 1 0 386.290 1.605 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640383359 653559198 /nfs/dbraw/zinc/55/91/98/653559198.db2.gz FVBBGRLHYURBIL-UHFFFAOYSA-N 1 0 389.350 1.770 20 0 GDADRO [NH3+][C@@H](c1cn(CCN2C(=O)CCC2=O)nn1)c1ccc(Br)cc1 ZINC000640951317 653561052 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C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 ZINC000642910443 653579791 /nfs/dbraw/zinc/57/97/91/653579791.db2.gz GJIXZZZNYPWJRM-CABZTGNLSA-N 1 0 386.315 1.908 20 0 GDADRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCc2cc(Br)ccc2C1 ZINC000643542251 653583428 /nfs/dbraw/zinc/58/34/28/653583428.db2.gz KPKAYOGXDQPVKC-IYBDPMFKSA-N 1 0 392.297 1.687 20 0 GDADRO Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000643601694 653583633 /nfs/dbraw/zinc/58/36/33/653583633.db2.gz BMMBXXGFZXIVSE-UHFFFAOYSA-N 1 0 380.495 1.818 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000643983536 653593612 /nfs/dbraw/zinc/59/36/12/653593612.db2.gz AHNSRBHYANHFOA-CYBMUJFWSA-N 1 0 375.441 1.947 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)s1 ZINC000643997879 653593884 /nfs/dbraw/zinc/59/38/84/653593884.db2.gz UVEPWFXTQLCJDT-GFCCVEGCSA-N 1 0 395.497 1.640 20 0 GDADRO CC1(C)C[NH2+]CCN1C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000644075580 653595259 /nfs/dbraw/zinc/59/52/59/653595259.db2.gz BFLGPIAFRNQQOI-UHFFFAOYSA-N 1 0 386.265 1.919 20 0 GDADRO CC(C)(C[NH2+]CCC(=O)Nc1cccc(Br)c1)NS(C)(=O)=O ZINC000644557428 653599280 /nfs/dbraw/zinc/59/92/80/653599280.db2.gz YUHIMULJCJMNGN-UHFFFAOYSA-N 1 0 392.319 1.695 20 0 GDADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000645194490 653601877 /nfs/dbraw/zinc/60/18/77/653601877.db2.gz ZOGBYCFIGJSMFW-NSHDSACASA-N 1 0 386.265 1.930 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1Br ZINC000645623583 653604966 /nfs/dbraw/zinc/60/49/66/653604966.db2.gz BJEYUNIRTXAPAO-GWCFXTLKSA-N 1 0 382.258 1.559 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(F)cc1Br ZINC000645625683 653604989 /nfs/dbraw/zinc/60/49/89/653604989.db2.gz SQWFNZDNTLEEDW-QMTHXVAHSA-N 1 0 384.249 1.998 20 0 GDADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCC(S(C)(=O)=O)CC2)[C@H](C(F)(F)F)C1 ZINC000645786776 653606678 /nfs/dbraw/zinc/60/66/78/653606678.db2.gz WVAMWDUOLTZQBH-CHWSQXEVSA-N 1 0 384.464 1.931 20 0 GDADRO [NH3+]CCOCC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000645833420 653607240 /nfs/dbraw/zinc/60/72/40/653607240.db2.gz WKTCFJHRCLKVGH-UHFFFAOYSA-N 1 0 384.274 1.602 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cccc(Br)c1)CCO2 ZINC000645855835 653607573 /nfs/dbraw/zinc/60/75/73/653607573.db2.gz WTEVORQSHLKNIX-UHFFFAOYSA-N 1 0 389.315 1.934 20 0 GDADRO COc1cc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)ncc1Br ZINC000646277927 653609424 /nfs/dbraw/zinc/60/94/24/653609424.db2.gz ZNJOSUSLTWJUIP-SECBINFHSA-N 1 0 381.234 1.621 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646364685 653609899 /nfs/dbraw/zinc/60/98/99/653609899.db2.gz BJGNTGGLZZMGCB-ZDUSSCGKSA-N 1 0 392.301 1.456 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3[nH]nc(C4CC4)c3Br)C2)CC1 ZINC000646460437 653610398 /nfs/dbraw/zinc/61/03/98/653610398.db2.gz GTAAVYAXBGBMQR-UHFFFAOYSA-N 1 0 382.306 1.369 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000646497127 653610410 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YEDDKQWWFIVVKL-SNVBAGLBSA-N 1 0 378.420 1.721 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)n1cc(Br)cn1 ZINC000647087538 653620398 /nfs/dbraw/zinc/62/03/98/653620398.db2.gz HXHNUWFXIGAASB-BXUZGUMPSA-N 1 0 396.293 1.511 20 0 GDADRO NS(=O)(=O)c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)sc1Br ZINC000647151784 653622443 /nfs/dbraw/zinc/62/24/43/653622443.db2.gz PBTRDEIDORPFKW-RXMQYKEDSA-N 1 0 379.261 1.633 20 0 GDADRO Cc1cccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)sc21 ZINC000647204920 653623244 /nfs/dbraw/zinc/62/32/44/653623244.db2.gz YTHLXEHPESUUKV-AWEZNQCLSA-N 1 0 381.523 1.685 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c1OC ZINC000647231185 653623667 /nfs/dbraw/zinc/62/36/67/653623667.db2.gz LCBKWEABXSCHKB-UHFFFAOYSA-N 1 0 377.894 1.314 20 0 GDADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647233668 653623691 /nfs/dbraw/zinc/62/36/91/653623691.db2.gz BYDYFXQPVPEBPA-BXKDBHETSA-N 1 0 381.267 1.633 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000647234732 653624109 /nfs/dbraw/zinc/62/41/09/653624109.db2.gz ZATGUQPECYSWAO-KCJUWKMLSA-N 1 0 383.695 1.839 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000647235091 653624121 /nfs/dbraw/zinc/62/41/21/653624121.db2.gz LZJXRWNOBDRLKU-BXKDBHETSA-N 1 0 379.276 1.194 20 0 GDADRO COCC1(CNS(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)CC[NH2+]CC1 ZINC000647294964 653625293 /nfs/dbraw/zinc/62/52/93/653625293.db2.gz UUUSVFPMSSILSY-UHFFFAOYSA-N 1 0 378.397 1.303 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000647316416 653625996 /nfs/dbraw/zinc/62/59/96/653625996.db2.gz HKRHIVWTVQXLJM-SKDRFNHKSA-N 1 0 390.303 1.344 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000647335674 653626507 /nfs/dbraw/zinc/62/65/07/653626507.db2.gz YSLRXRVMWBFHFL-RKDXNWHRSA-N 1 0 399.332 1.257 20 0 GDADRO CNC(=O)[C@H](C[NH2+][C@H](C)CS(C)(=O)=O)Cc1ccc(C(F)(F)F)cc1 ZINC000647351017 653626580 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Cc1cc(N2CC[C@@H](NC(=O)COC3(C)C[NH2+]C3)C2=O)ccc1Br ZINC000648163981 653640442 /nfs/dbraw/zinc/64/04/42/653640442.db2.gz NSMJHTUAPMSWBE-CQSZACIVSA-N 1 0 396.285 1.358 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180845 653640507 /nfs/dbraw/zinc/64/05/07/653640507.db2.gz RIJRVISBGBODCH-AWEZNQCLSA-N 1 0 380.286 1.970 20 0 GDADRO C[C@@H](CC(=O)N1CC[NH+](C2CCOCC2)CC1)n1cc(Br)cn1 ZINC000648312244 653644909 /nfs/dbraw/zinc/64/49/09/653644909.db2.gz WWPDZOKZDSOVHY-ZDUSSCGKSA-N 1 0 385.306 1.920 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@H](C)n1cc(Br)cn1 ZINC000648359540 653646876 /nfs/dbraw/zinc/64/68/76/653646876.db2.gz QOHLJTZNVUBSEL-KGLIPLIRSA-N 1 0 386.338 1.739 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@H](C)n1cc(Br)cn1 ZINC000648359539 653646887 /nfs/dbraw/zinc/64/68/87/653646887.db2.gz QOHLJTZNVUBSEL-KBPBESRZSA-N 1 0 386.338 1.739 20 0 GDADRO CN1CCN(C(=O)C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000648437294 653649412 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GDADRO Cc1c(Br)cccc1S(=O)(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649422447 653667370 /nfs/dbraw/zinc/66/73/70/653667370.db2.gz VODCVVZHQKJHEY-UHFFFAOYSA-N 1 0 376.320 1.283 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000649594877 653669701 /nfs/dbraw/zinc/66/97/01/653669701.db2.gz RJLKHXJZNVIHDT-ZDUSSCGKSA-N 1 0 387.933 1.673 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)Nc2cc(F)ccc2Br)CC1=O ZINC000650078239 653683455 /nfs/dbraw/zinc/68/34/55/653683455.db2.gz YDAUJKIFGLBAAK-UHFFFAOYSA-N 1 0 387.253 1.826 20 0 GDADRO Cc1ccc(Br)cc1CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650309147 653691331 /nfs/dbraw/zinc/69/13/31/653691331.db2.gz ICRXOOASAIVOIR-UHFFFAOYSA-N 1 0 382.302 1.532 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccnc3-n3cc(Br)cn3)[C@@H]2C1 ZINC000650511721 653696835 /nfs/dbraw/zinc/69/68/35/653696835.db2.gz HJERIYSQTTWJOE-BXUZGUMPSA-N 1 0 376.258 1.806 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)NCc2sccc2Br)CC1=O ZINC000650788886 653699483 /nfs/dbraw/zinc/69/94/83/653699483.db2.gz 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C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000651611071 653838900 /nfs/dbraw/zinc/83/89/00/653838900.db2.gz HBTVLUUFAYXROH-DFBGVHRSSA-N 1 0 389.880 1.280 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)N2CCCOCC2)CC1 ZINC000651623113 653840360 /nfs/dbraw/zinc/84/03/60/653840360.db2.gz UCLUVTUYZHOYAK-UHFFFAOYSA-N 1 0 377.551 1.024 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000651680462 653844797 /nfs/dbraw/zinc/84/47/97/653844797.db2.gz ITTLMWQUWMOCCA-JTQLQIEISA-N 1 0 383.290 1.938 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1=O ZINC000651793258 653856646 /nfs/dbraw/zinc/85/66/46/653856646.db2.gz DHYYDUISLGOUEJ-UHFFFAOYSA-N 1 0 377.869 1.015 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1=O ZINC000651793611 653857146 /nfs/dbraw/zinc/85/71/46/653857146.db2.gz APTWUGASXFLKKV-UHFFFAOYSA-N 1 0 377.869 1.015 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3nscc3Br)CC2)C1=O ZINC000652161962 653882977 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20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653082465 653905561 /nfs/dbraw/zinc/90/55/61/653905561.db2.gz VSXFJKGWFKFYER-ZDUSSCGKSA-N 1 0 385.306 1.481 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000653103105 653906198 /nfs/dbraw/zinc/90/61/98/653906198.db2.gz DBSNYCVWJVQSNU-AWEZNQCLSA-N 1 0 380.290 1.911 20 0 GDADRO [NH3+]CC1(CCNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000653216649 653908210 /nfs/dbraw/zinc/90/82/10/653908210.db2.gz CZNBYSMNIJQXEY-UHFFFAOYSA-N 1 0 380.242 1.290 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653232506 653908887 /nfs/dbraw/zinc/90/88/87/653908887.db2.gz CLRFIBSUJREQSK-HEHGZKQESA-N 1 0 387.933 1.983 20 0 GDADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000653405685 653912764 /nfs/dbraw/zinc/91/27/64/653912764.db2.gz FOUCJYUYLNFYKE-UHFFFAOYSA-N 1 0 378.420 1.722 20 0 GDADRO Cc1cc(NC(=O)[C@@H](C)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1Br ZINC000653827424 653924094 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GDADRO CN(CCCC(=O)N[C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC000655507686 653972437 /nfs/dbraw/zinc/97/24/37/653972437.db2.gz CVFHBZMYGQUHSU-GFCCVEGCSA-N 1 0 385.383 1.232 20 0 GDADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C(F)(F)F ZINC000655509074 653972640 /nfs/dbraw/zinc/97/26/40/653972640.db2.gz IZTLCBWOEWKGRT-LDYMZIIASA-N 1 0 394.191 1.808 20 0 GDADRO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000655802107 653991221 /nfs/dbraw/zinc/99/12/21/653991221.db2.gz WPCIHQODWJFEHE-TVQRCGJNSA-N 1 0 381.292 1.145 20 0 GDADRO C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000655916288 653993850 /nfs/dbraw/zinc/99/38/50/653993850.db2.gz UXXHTLJPQLYKID-CABZTGNLSA-N 1 0 382.408 1.187 20 0 GDADRO [NH3+]C[C@H](NC(=O)N(CCO)Cc1cc(Br)cs1)C(F)(F)F ZINC000655926174 653994428 /nfs/dbraw/zinc/99/44/28/653994428.db2.gz DKNXKYFQNIURKZ-VIFPVBQESA-N 1 0 390.225 1.904 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000656023711 654000104 /nfs/dbraw/zinc/00/01/04/654000104.db2.gz HNEJZWJCMYOOMM-SWLSCSKDSA-N 1 0 380.286 1.584 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CCO1 ZINC000656029685 654000422 /nfs/dbraw/zinc/00/04/22/654000422.db2.gz FKKPSLQFUTZJKI-NHYWBVRUSA-N 1 0 388.295 1.617 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656059942 654000722 /nfs/dbraw/zinc/00/07/22/654000722.db2.gz ZXCYYQFTYMOXCN-XBXGTLAGSA-N 1 0 382.302 1.864 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C1CCC(F)(F)CC1 ZINC000656298969 654013483 /nfs/dbraw/zinc/01/34/83/654013483.db2.gz LPJFSLAUYWZRMD-BLLLJJGKSA-N 1 0 377.501 1.870 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656303396 654013690 /nfs/dbraw/zinc/01/36/90/654013690.db2.gz RRQCGMHHCBPXLL-XPKDYRNWSA-N 1 0 396.329 1.953 20 0 GDADRO COc1ccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Br ZINC000656310063 654013847 /nfs/dbraw/zinc/01/38/47/654013847.db2.gz XOARPMBJJQHQHC-BETUJISGSA-N 1 0 398.301 1.530 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@]1(C)CC1(F)F ZINC000656711467 654047538 /nfs/dbraw/zinc/04/75/38/654047538.db2.gz SIIKMKGUKAOZFL-CQSZACIVSA-N 1 0 396.481 1.346 20 0 GDADRO CO[C@H](CS(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCOC1 ZINC000656862712 654057489 /nfs/dbraw/zinc/05/74/89/654057489.db2.gz KKRUZAZJJJYFCC-ARFHVFGLSA-N 1 0 388.555 1.856 20 0 GDADRO CO[C@H](CS(=O)(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCOC1 ZINC000656875333 654060963 /nfs/dbraw/zinc/06/09/63/654060963.db2.gz HHZPGPGSBKAHAR-BRSBDYLESA-N 1 0 376.563 1.715 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000656875236 654061136 /nfs/dbraw/zinc/06/11/36/654061136.db2.gz ZJYNGYSIJMHLLW-UHFFFAOYSA-N 1 0 377.913 1.926 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000657090212 654107674 /nfs/dbraw/zinc/10/76/74/654107674.db2.gz AAXONDDDYAALEB-UHFFFAOYSA-N 1 0 383.436 1.589 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)[NH+](C)C ZINC000657093407 654109241 /nfs/dbraw/zinc/10/92/41/654109241.db2.gz WNPDFSJRYQXJGV-SECBINFHSA-N 1 0 378.292 1.167 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657429130 654149312 /nfs/dbraw/zinc/14/93/12/654149312.db2.gz PQIRLESNZIHKAZ-UHFFFAOYSA-N 1 0 382.452 1.979 20 0 GDADRO COC[C@@H](CC1CCOCC1)[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000657929963 654171857 /nfs/dbraw/zinc/17/18/57/654171857.db2.gz LGLZRHSJXPWAPY-OAHLLOKOSA-N 1 0 376.544 1.756 20 0 GDADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658097189 654182011 /nfs/dbraw/zinc/18/20/11/654182011.db2.gz VTCVIAKPVKJCJU-CYBMUJFWSA-N 1 0 378.274 1.975 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NCC3([NH3+])CCCCCC3)cc2C1 ZINC000658374396 654186533 /nfs/dbraw/zinc/18/65/33/654186533.db2.gz VPALOJISOXGPSV-UHFFFAOYSA-N 1 0 385.555 1.983 20 0 GDADRO O=S(=O)(Cc1cc(F)ccc1Br)NC[C@H]1C[NH2+]CCCO1 ZINC000658381422 654187535 /nfs/dbraw/zinc/18/75/35/654187535.db2.gz MZNBEFUFNSRFIH-GFCCVEGCSA-N 1 0 381.267 1.386 20 0 GDADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000658395925 654189872 /nfs/dbraw/zinc/18/98/72/654189872.db2.gz KSCIGKWOUFFLFJ-UHFFFAOYSA-N 1 0 377.388 1.091 20 0 GDADRO CCN(C(=O)C(=O)N(C)Cc1cccc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658807144 654206426 /nfs/dbraw/zinc/20/64/26/654206426.db2.gz MELFFNXALKUGJU-OAHLLOKOSA-N 1 0 382.302 1.960 20 0 GDADRO CCN(C(=O)C(=O)N(C)Cc1cc(Br)cn1C)[C@H]1CC[N@H+](CC)C1 ZINC000658824355 654208270 /nfs/dbraw/zinc/20/82/70/654208270.db2.gz ZOFSYJRTDTXRQX-AWEZNQCLSA-N 1 0 399.333 1.689 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000659112565 654215310 /nfs/dbraw/zinc/21/53/10/654215310.db2.gz KFRGPEXHVINDNG-SNVBAGLBSA-N 1 0 380.246 1.297 20 0 GDADRO [NH3+]CCn1cc(C(=O)NCc2cc(Br)ccc2OC(F)F)nn1 ZINC000659262424 654219716 /nfs/dbraw/zinc/21/97/16/654219716.db2.gz BSZGBHVFSZNMNH-UHFFFAOYSA-N 1 0 390.188 1.531 20 0 GDADRO O=C(NCCC1CC[NH2+]CC1)c1cc(Br)ccc1-n1cnnn1 ZINC000659328920 654223160 /nfs/dbraw/zinc/22/31/60/654223160.db2.gz 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Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc3c(c2)nnn3C)c(C)s1 ZINC000676418488 654642167 /nfs/dbraw/zinc/64/21/67/654642167.db2.gz NIIGSGHISFQFHR-UHFFFAOYSA-N 1 0 379.511 1.715 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000676468986 654643479 /nfs/dbraw/zinc/64/34/79/654643479.db2.gz UAXYEOGJSLPDOV-CQSZACIVSA-N 1 0 388.559 1.542 20 0 GDADRO NC(=O)C[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000676871402 654655699 /nfs/dbraw/zinc/65/56/99/654655699.db2.gz ZPLHGTTXKNOJRW-GWCFXTLKSA-N 1 0 375.238 1.525 20 0 GDADRO CSC[C@@](C)(O)C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000738440013 654657988 /nfs/dbraw/zinc/65/79/88/654657988.db2.gz JPDWOWRZRYMHIX-RISCZKNCSA-N 1 0 381.951 1.408 20 0 GDADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000775196221 654661371 /nfs/dbraw/zinc/66/13/71/654661371.db2.gz PWYXIYVVGIRUQV-IACUBPJLSA-N 1 0 392.327 1.181 20 0 GDADRO O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)NC[C@@H]1CCCCO1 ZINC000775405289 654666131 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C[NH+]1CCC(NC(=S)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000781543338 654810083 /nfs/dbraw/zinc/81/00/83/654810083.db2.gz MQNBIPIIUNQDMM-MRXNPFEDSA-N 1 0 388.603 1.282 20 0 GDADRO CC(C)C([NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(C)C ZINC000685038119 654811734 /nfs/dbraw/zinc/81/17/34/654811734.db2.gz TXULXAJRHDEIHY-UHFFFAOYSA-N 1 0 390.571 1.981 20 0 GDADRO C[NH+](C)C1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000685607460 654822722 /nfs/dbraw/zinc/82/27/22/654822722.db2.gz CCPVCNSBFODKNN-UHFFFAOYSA-N 1 0 394.324 1.824 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1F ZINC000749172235 654823889 /nfs/dbraw/zinc/82/38/89/654823889.db2.gz CFUJMDUZJSJXHO-UHFFFAOYSA-N 1 0 376.425 1.904 20 0 GDADRO COCCS(=O)(=O)CCC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000782084442 654823969 /nfs/dbraw/zinc/82/39/69/654823969.db2.gz NKLXFCCIKKPWFQ-AWEZNQCLSA-N 1 0 380.304 1.523 20 0 GDADRO C[NH+](C)C1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC000749385347 654831647 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376.519 1.425 20 0 GDADRO CO[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721761053 654839667 /nfs/dbraw/zinc/83/96/67/654839667.db2.gz MLBJEUWGUODVBE-SOUVJXGZSA-N 1 0 376.519 1.568 20 0 GDADRO CCOC(=O)c1nn(CN2CC[NH+](CC3CCOCC3)CC2)c(=S)s1 ZINC000782834684 654846345 /nfs/dbraw/zinc/84/63/45/654846345.db2.gz IIGTXCSDMLWHQO-UHFFFAOYSA-N 1 0 386.543 1.852 20 0 GDADRO C[C@@]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000750055593 654847468 /nfs/dbraw/zinc/84/74/68/654847468.db2.gz HOJRERNBPVEBST-KRWDZBQOSA-N 1 0 381.885 1.520 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000750059111 654847621 /nfs/dbraw/zinc/84/76/21/654847621.db2.gz AGIDIHMOLPYOFD-CABCVRRESA-N 1 0 375.535 1.742 20 0 GDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000726286440 654850093 /nfs/dbraw/zinc/85/00/93/654850093.db2.gz GLDAYGVFUNFUHG-QMMMGPOBSA-N 1 0 381.832 1.632 20 0 GDADRO C[C@H](NC(=S)NC[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccs1 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CN(C[C@@H]1CC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1)C(=O)OC(C)(C)C ZINC000801515860 654926332 /nfs/dbraw/zinc/92/63/32/654926332.db2.gz JJKGKBMOPQNSQO-LSDHHAIUSA-N 1 0 375.535 1.457 20 0 GDADRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801523305 654926924 /nfs/dbraw/zinc/92/69/24/654926924.db2.gz OAAVGOBOUYTHLH-WMLDXEAASA-N 1 0 377.551 1.797 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C ZINC000752487083 654929172 /nfs/dbraw/zinc/92/91/72/654929172.db2.gz GWUIHQTYAYFRSV-SUMWQHHRSA-N 1 0 375.535 1.158 20 0 GDADRO O=C1OCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000830092843 654930027 /nfs/dbraw/zinc/93/00/27/654930027.db2.gz OKQXZGBIPFWRCU-UKRRQHHQSA-N 1 0 399.285 1.963 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)c2c[nH]nc2Cl)CC1 ZINC000830318167 654940179 /nfs/dbraw/zinc/94/01/79/654940179.db2.gz UIDLQFKMVLIOOW-BETUJISGSA-N 1 0 375.926 1.242 20 0 GDADRO Cn1ncc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1Br ZINC000753815262 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O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cn3cccc(F)c3n2)CC1 ZINC000756027135 655008081 /nfs/dbraw/zinc/00/80/81/655008081.db2.gz DLZADXXUVXWVRP-UHFFFAOYSA-N 1 0 376.404 1.827 20 0 GDADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1[nH]nc2c1C[NH2+]CC2 ZINC000832186915 655016827 /nfs/dbraw/zinc/01/68/27/655016827.db2.gz KELQZJYNLXOUGT-LBPRGKRZSA-N 1 0 381.205 1.821 20 0 GDADRO CCNS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000756707514 655025818 /nfs/dbraw/zinc/02/58/18/655025818.db2.gz IJOKDZRNIAPGDG-IAGOWNOFSA-N 1 0 388.555 1.609 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000789577137 655027024 /nfs/dbraw/zinc/02/70/24/655027024.db2.gz JZPSMBWHVBFYTO-BXKDBHETSA-N 1 0 397.273 1.390 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000789589668 655028389 /nfs/dbraw/zinc/02/83/89/655028389.db2.gz QGTTYGNLUSVXHG-UHFFFAOYSA-N 1 0 385.262 1.392 20 0 GDADRO COCCOC(=O)c1sc2[nH]c(CSCC[NH+](C)C)nc(=O)c2c1C ZINC000756922828 655029837 /nfs/dbraw/zinc/02/98/37/655029837.db2.gz WXXJOBRLHZHMCC-UHFFFAOYSA-N 1 0 385.511 1.891 20 0 GDADRO CC[C@H]1C[N@H+](CCCNS(=O)(=O)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757105000 655034594 /nfs/dbraw/zinc/03/45/94/655034594.db2.gz VVVQZUROQTWTTN-LSDHHAIUSA-N 1 0 377.551 1.941 20 0 GDADRO CC[C@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757112639 655034776 /nfs/dbraw/zinc/03/47/76/655034776.db2.gz VVXSRHLUDLRYQU-LSDHHAIUSA-N 1 0 377.551 1.893 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805827219 655045907 /nfs/dbraw/zinc/04/59/07/655045907.db2.gz PKAOXCMHMZWTSD-INIZCTEOSA-N 1 0 375.535 1.839 20 0 GDADRO C[C@H]([NH2+]CCCCCO)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000790493896 655051076 /nfs/dbraw/zinc/05/10/76/655051076.db2.gz CMAUKBUYDILGRE-ZDUSSCGKSA-N 1 0 378.516 1.225 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc(F)c1F ZINC000832763657 655051450 /nfs/dbraw/zinc/05/14/50/655051450.db2.gz AAVCFULUAXRQEE-LLVKDONJSA-N 1 0 376.425 1.855 20 0 GDADRO CN(CCC[NH3+])C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000832782177 655053169 /nfs/dbraw/zinc/05/31/69/655053169.db2.gz UWOURQRXMHXUHM-UHFFFAOYSA-N 1 0 380.297 1.855 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000758200733 655053745 /nfs/dbraw/zinc/05/37/45/655053745.db2.gz ITLCNDLAAPLDBY-NHYWBVRUSA-N 1 0 385.917 1.803 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000833559756 655058296 /nfs/dbraw/zinc/05/82/96/655058296.db2.gz WJEMNNVIFXWBIF-CYBMUJFWSA-N 1 0 388.917 1.710 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1 ZINC000791179831 655065613 /nfs/dbraw/zinc/06/56/13/655065613.db2.gz FACQOGNKLQGNGT-UHFFFAOYSA-N 1 0 393.289 1.787 20 0 GDADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000806474794 655066696 /nfs/dbraw/zinc/06/66/96/655066696.db2.gz GFTRZBVFRRVZOP-MRXNPFEDSA-N 1 0 387.615 1.826 20 0 GDADRO CN(CC(=O)N1CCC2(C1)CC[NH2+]CC2)C(=O)c1ccc(Br)o1 ZINC000834438891 655067447 /nfs/dbraw/zinc/06/74/47/655067447.db2.gz LOJJMYAUGVMNBO-UHFFFAOYSA-N 1 0 384.274 1.716 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)COc2ccc(C=O)cc2Br)C1 ZINC000834565703 655073179 /nfs/dbraw/zinc/07/31/79/655073179.db2.gz XDZRDPZPYGFIRS-QGZVFWFLSA-N 1 0 399.285 1.556 20 0 GDADRO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000834817439 655079734 /nfs/dbraw/zinc/07/97/34/655079734.db2.gz QWZGVHXXJMHRNU-HVVBYEOYSA-N 1 0 385.555 1.550 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000834822655 655079971 /nfs/dbraw/zinc/07/99/71/655079971.db2.gz YNNWGUZLXYZZSP-SFYZADRCSA-N 1 0 380.297 1.900 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C(F)F ZINC000834830726 655080605 /nfs/dbraw/zinc/08/06/05/655080605.db2.gz MFUJVDJZPBTHQH-CYBMUJFWSA-N 1 0 395.859 1.837 20 0 GDADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cn(-c2ccccc2Br)nn1 ZINC000834840693 655080731 /nfs/dbraw/zinc/08/07/31/655080731.db2.gz GVURKHFVIQPHAV-LBPRGKRZSA-N 1 0 386.200 1.757 20 0 GDADRO CC[C@](C)(C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)OC ZINC000834883140 655082164 /nfs/dbraw/zinc/08/21/64/655082164.db2.gz ZBJSLQUFLVSLTF-CZUORRHYSA-N 1 0 392.543 1.878 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835135460 655087225 /nfs/dbraw/zinc/08/72/25/655087225.db2.gz GKNYRZUYURKSNL-GFCCVEGCSA-N 1 0 399.289 1.318 20 0 GDADRO CC(C)[C@@H](CNC(=O)c1nc(Br)ccc1F)N1CC[NH+](C)CC1 ZINC000792166726 655087375 /nfs/dbraw/zinc/08/73/75/655087375.db2.gz VENGRKTURYVZET-CYBMUJFWSA-N 1 0 387.297 1.985 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)nc1Br ZINC000792951212 655102167 /nfs/dbraw/zinc/10/21/67/655102167.db2.gz CROXDNNLEMEYBL-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)nc1Br ZINC000793046656 655108345 /nfs/dbraw/zinc/10/83/45/655108345.db2.gz NGYNHBRAWZZCBR-RYUDHWBXSA-N 1 0 383.290 1.890 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000760577446 655118413 /nfs/dbraw/zinc/11/84/13/655118413.db2.gz LVRQYRMAZIMKKH-ZDUSSCGKSA-N 1 0 390.937 1.640 20 0 GDADRO CC[N@H+](CCNC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)C(C)C ZINC000760592195 655119479 /nfs/dbraw/zinc/11/94/79/655119479.db2.gz YDLIYXAAAQVEDP-CYBMUJFWSA-N 1 0 390.937 1.638 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000793824005 655123826 /nfs/dbraw/zinc/12/38/26/655123826.db2.gz JUSUHYFWKUNBBL-OAGGEKHMSA-N 1 0 385.599 1.720 20 0 GDADRO COC(=O)c1cn([C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3Br)C2)nn1 ZINC000760869099 655128722 /nfs/dbraw/zinc/12/87/22/655128722.db2.gz LXCRTTABBKBQEE-IAQYHMDHSA-N 1 0 395.257 1.808 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(Br)cc1F ZINC000809403725 655128700 /nfs/dbraw/zinc/12/87/00/655128700.db2.gz FSKTWXHEIRJUBO-BONVTDFDSA-N 1 0 398.276 1.803 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)[N@@H+]1CCC[C@@H](C)C1 ZINC000809525865 655131341 /nfs/dbraw/zinc/13/13/41/655131341.db2.gz MBDJRNXEWBVEPC-SUJAAXHWSA-N 1 0 385.599 1.719 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000809527753 655131958 /nfs/dbraw/zinc/13/19/58/655131958.db2.gz VOYPSKIYSRZMCD-WCVJEAGWSA-N 1 0 383.583 1.569 20 0 GDADRO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000761102476 655133302 /nfs/dbraw/zinc/13/33/02/655133302.db2.gz YZHFGPCZDJZOAL-XJKSGUPXSA-N 1 0 383.901 1.267 20 0 GDADRO C[N@H+](C[C@H](O)CN1CCC(O)(c2scnc2Br)CC1)C1CC1 ZINC000809997594 655145837 /nfs/dbraw/zinc/14/58/37/655145837.db2.gz DGFVXYRSDACWAI-LBPRGKRZSA-N 1 0 390.347 1.644 20 0 GDADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000810270270 655154236 /nfs/dbraw/zinc/15/42/36/655154236.db2.gz RZCBUTSLQYACEG-WDEREUQCSA-N 1 0 380.798 1.843 20 0 GDADRO C[NH+]1CCC(NC(=S)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 ZINC000795143505 655163645 /nfs/dbraw/zinc/16/36/45/655163645.db2.gz USDZCULAACXTAE-UHFFFAOYSA-N 1 0 383.949 1.831 20 0 GDADRO C[N@H+](CCCCNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C1CC1 ZINC000837224869 655171781 /nfs/dbraw/zinc/17/17/81/655171781.db2.gz KMKZCAAVVPKMNS-UHFFFAOYSA-N 1 0 377.869 1.731 20 0 GDADRO CC(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)[NH+]1CCN(C)CC1 ZINC000763004520 655183275 /nfs/dbraw/zinc/18/32/75/655183275.db2.gz XVEBLBVAGMAFPC-QZWWFDLISA-N 1 0 386.631 1.937 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[C@H]4SCCS[C@H]34)CC2)C1 ZINC000763058038 655184318 /nfs/dbraw/zinc/18/43/18/655184318.db2.gz CIQMEMIMBYKKAN-YLFCFFPRSA-N 1 0 384.615 1.787 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1c(Br)nc2n1CCCC2 ZINC000837655778 655191716 /nfs/dbraw/zinc/19/17/16/655191716.db2.gz JZPBPXBMKUQMCZ-UHFFFAOYSA-N 1 0 386.338 1.595 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ncccc2Br)CC1 ZINC000796089533 655202035 /nfs/dbraw/zinc/20/20/35/655202035.db2.gz CSMGBVZKWBRRDQ-UHFFFAOYSA-N 1 0 384.274 1.990 20 0 GDADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000838143246 655205436 /nfs/dbraw/zinc/20/54/36/655205436.db2.gz GQMRAPRBMFRKEC-LBPRGKRZSA-N 1 0 393.289 1.887 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000796203450 655206964 /nfs/dbraw/zinc/20/69/64/655206964.db2.gz OKXVEQVFESGOJZ-NSHDSACASA-N 1 0 375.878 1.674 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000796651894 655216690 /nfs/dbraw/zinc/21/66/90/655216690.db2.gz CKUHROBGMTUOMR-RBSFLKMASA-N 1 0 377.551 1.939 20 0 GDADRO CC1(C)OCC(CO)([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CO1 ZINC000812838915 655221673 /nfs/dbraw/zinc/22/16/73/655221673.db2.gz YKEFEBLURMVFSW-LBPRGKRZSA-N 1 0 380.268 1.837 20 0 GDADRO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764904317 655225051 /nfs/dbraw/zinc/22/50/51/655225051.db2.gz KPOTWDCILATEHC-NSHDSACASA-N 1 0 384.470 1.615 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1[NH+](C)C ZINC000765273723 655237328 /nfs/dbraw/zinc/23/73/28/655237328.db2.gz XBZHRVXMXDHPGP-AHIWAGSCSA-N 1 0 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GDADRO C[C@@H]1CCCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)[C@H]1C[NH3+] ZINC000843353094 655393526 /nfs/dbraw/zinc/39/35/26/655393526.db2.gz BSPFCOCVJYTVTL-YPMHNXCESA-N 1 0 375.441 1.681 20 0 GDADRO O=C(CCN1CCO[C@@H](c2ccccc2Br)C1)N1CC[NH2+]CC1 ZINC000843358585 655393806 /nfs/dbraw/zinc/39/38/06/655393806.db2.gz GZCAQLRVGCTOBJ-MRXNPFEDSA-N 1 0 382.302 1.644 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000843414619 655394645 /nfs/dbraw/zinc/39/46/45/655394645.db2.gz KENCHGNCPSKNOC-HNNXBMFYSA-N 1 0 398.301 1.454 20 0 GDADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)COC1(C)C[NH2+]C1 ZINC000843437090 655394965 /nfs/dbraw/zinc/39/49/65/655394965.db2.gz OGVZYYNQYVZQLH-UHFFFAOYSA-N 1 0 377.413 1.432 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)sc1Br ZINC000843469338 655395867 /nfs/dbraw/zinc/39/58/67/655395867.db2.gz NBJQPVOVVKBNFW-OCAPTIKFSA-N 1 0 394.316 1.125 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000843483249 655396629 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655458315 /nfs/dbraw/zinc/45/83/15/655458315.db2.gz PJXCHWFHFRNDLM-LBPRGKRZSA-N 1 0 381.230 1.293 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)c2cccnc2I)CC1 ZINC000846718267 655459365 /nfs/dbraw/zinc/45/93/65/655459365.db2.gz NQLZPBDFKQDBFU-UHFFFAOYSA-N 1 0 389.237 1.527 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)C1 ZINC000846720400 655459553 /nfs/dbraw/zinc/45/95/53/655459553.db2.gz BTIAUZBFMVZHLM-XYPHTWIQSA-N 1 0 377.888 1.280 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846903520 655462000 /nfs/dbraw/zinc/46/20/00/655462000.db2.gz WTGIWQSGRAGXDK-UHFFFAOYSA-N 1 0 375.535 1.695 20 0 GDADRO O=C(NCC1SCCS1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000823402152 655462528 /nfs/dbraw/zinc/46/25/28/655462528.db2.gz DZRFAPQWNBVOST-JKSUJKDBSA-N 1 0 381.567 1.975 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)C1 ZINC000846917751 655462879 /nfs/dbraw/zinc/46/28/79/655462879.db2.gz CYYFWBZBEYHQQE-RHSMWYFYSA-N 1 0 376.519 1.115 20 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/nfs/dbraw/zinc/50/87/63/655508763.db2.gz BOFFUHRRIWSGTF-IAQYHMDHSA-N 1 0 394.273 1.848 20 0 GDADRO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000827375591 655510095 /nfs/dbraw/zinc/51/00/95/655510095.db2.gz YFHGPAKJBZRZNI-XJKSGUPXSA-N 1 0 385.917 1.513 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)c3cc(Br)cnc3F)CC2)CC1 ZINC000827429377 655511044 /nfs/dbraw/zinc/51/10/44/655511044.db2.gz DLZOKKAYPLWHQO-UHFFFAOYSA-N 1 0 385.281 1.835 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)c3nc(F)ccc3Br)CC2)CC1 ZINC000827440404 655511273 /nfs/dbraw/zinc/51/12/73/655511273.db2.gz WZLXAUGNVBSWPY-UHFFFAOYSA-N 1 0 385.281 1.835 20 0 GDADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3cn(C)c(Cl)n3)CC2)CC1 ZINC000827751732 655515975 /nfs/dbraw/zinc/51/59/75/655515975.db2.gz ANZULKMXAPRURO-UHFFFAOYSA-N 1 0 389.953 1.254 20 0 GDADRO CCOCCCNC(=[NH2+])NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000848988652 655517097 /nfs/dbraw/zinc/51/70/97/655517097.db2.gz VBMRKZOKMDIESS-UHFFFAOYSA-N 1 0 380.873 1.298 20 0 GDADRO [NH2+]=C(NCCNS(=O)(=O)c1ccc(F)cc1F)NCCc1cccs1 ZINC000849108140 655517363 /nfs/dbraw/zinc/51/73/63/655517363.db2.gz DZUCHPJIGUYBES-UHFFFAOYSA-N 1 0 388.465 1.661 20 0 GDADRO C[NH+]1CCN(CCn2cc([C@](C)(O)c3ccccc3Br)nn2)CC1 ZINC000849137154 655517576 /nfs/dbraw/zinc/51/75/76/655517576.db2.gz NYSGEAARLISBAE-QGZVFWFLSA-N 1 0 394.317 1.544 20 0 GDADRO O=C(NCc1cn(CCC[NH+]2CCSCC2)nn1)c1ccc(Cl)nc1 ZINC000849144550 655517645 /nfs/dbraw/zinc/51/76/45/655517645.db2.gz ZJLGGXINMBPEOK-UHFFFAOYSA-N 1 0 380.905 1.695 20 0 GDADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC000828083773 655519058 /nfs/dbraw/zinc/51/90/58/655519058.db2.gz ZSMWXOMRTOGZQL-NSHDSACASA-N 1 0 387.889 1.283 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2nc(Br)c3ccccn32)CC1 ZINC000828196103 655519912 /nfs/dbraw/zinc/51/99/12/655519912.db2.gz NFPJBJHHSLPYMR-UHFFFAOYSA-N 1 0 381.274 1.626 20 0 GDADRO CN(C[C@@H](O)C[NH2+]CC1(S(C)(=O)=O)CCCCC1)C(=O)OC(C)(C)C ZINC000849329801 655522022 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383.848 1.718 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000850519001 655557069 /nfs/dbraw/zinc/55/70/69/655557069.db2.gz KIFCWURWEXPCGA-SNVBAGLBSA-N 1 0 388.433 1.686 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(N2CCNC2=O)cc1 ZINC000850519040 655557253 /nfs/dbraw/zinc/55/72/53/655557253.db2.gz WRFQHBOEDVRRAU-NSHDSACASA-N 1 0 379.404 1.844 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000850593713 655559855 /nfs/dbraw/zinc/55/98/55/655559855.db2.gz YENYKTANWRRWAX-ZETCQYMHSA-N 1 0 383.239 1.261 20 0 GDADRO C[C@H](CCNC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1)[NH+](C)C ZINC000850595884 655560169 /nfs/dbraw/zinc/56/01/69/655560169.db2.gz HGGZEFMINLNNKD-SECBINFHSA-N 1 0 384.893 1.592 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCCC2SCCS2)C1 ZINC000850657145 655562819 /nfs/dbraw/zinc/56/28/19/655562819.db2.gz QYGOHGNKVHHKBK-AWEZNQCLSA-N 1 0 389.587 1.258 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850824225 655569051 /nfs/dbraw/zinc/56/90/51/655569051.db2.gz VSQYIEDUVQEZQR-DTWKUNHWSA-N 1 0 382.877 1.331 20 0 GDADRO O=C(c1cc(Br)ccc1-n1cnnn1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000851635507 655589379 /nfs/dbraw/zinc/58/93/79/655589379.db2.gz LVQLPTOCXFBSDM-MRXNPFEDSA-N 1 0 391.273 1.641 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000851648831 655589653 /nfs/dbraw/zinc/58/96/53/655589653.db2.gz PBUWWASFPFAJFK-HUUCEWRRSA-N 1 0 391.896 1.882 20 0 GDADRO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](CCOC(F)F)CC2)cc1 ZINC000851717954 655592662 /nfs/dbraw/zinc/59/26/62/655592662.db2.gz RUQQNBVUPHIUAX-UHFFFAOYSA-N 1 0 377.413 1.224 20 0 GDADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000851853546 655599918 /nfs/dbraw/zinc/59/99/18/655599918.db2.gz WPTSNEPJVKBBGD-CYBMUJFWSA-N 1 0 384.889 1.207 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852093013 655607681 /nfs/dbraw/zinc/60/76/81/655607681.db2.gz ZFOPQVUHTKXFIS-IUODEOHRSA-N 1 0 375.300 1.572 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852190499 655609742 /nfs/dbraw/zinc/60/97/42/655609742.db2.gz DHHKVLRBTUHKPC-MLGOLLRUSA-N 1 0 389.327 1.962 20 0 GDADRO CC(C)NC(=O)CC[NH+]1CCC(n2nncc2I)CC1 ZINC000852532128 655617125 /nfs/dbraw/zinc/61/71/25/655617125.db2.gz DFFCKGMILYJFGC-UHFFFAOYSA-N 1 0 391.257 1.434 20 0 GDADRO COC(=O)/C=C1\SCC(=O)N1CCCN1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000852778786 655622343 /nfs/dbraw/zinc/62/23/43/655622343.db2.gz VTYFYKYKHMTLEX-ZABLBMFASA-N 1 0 378.441 1.711 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2I)C1 ZINC000852790257 655622577 /nfs/dbraw/zinc/62/25/77/655622577.db2.gz NBQQXCZUUGMJLG-NSHDSACASA-N 1 0 396.232 1.911 20 0 GDADRO O=C(NCC[NH2+]C1CC1)c1cnn(-c2ccccc2)c1I ZINC000852795225 655622691 /nfs/dbraw/zinc/62/26/91/655622691.db2.gz GBCVHGMXPYDTDA-UHFFFAOYSA-N 1 0 396.232 1.959 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)[C@]1(C)CC1(Br)Br ZINC000852795430 655622701 /nfs/dbraw/zinc/62/27/01/655622701.db2.gz HTBPEESDUBMXEO-NSHDSACASA-N 1 0 383.128 1.246 20 0 GDADRO CC(C)C[C@H](C[NH3+])CC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000852806560 655623083 /nfs/dbraw/zinc/62/30/83/655623083.db2.gz JPGLNXTVEBSAJZ-ZDUSSCGKSA-N 1 0 387.468 1.675 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000852920621 655628409 /nfs/dbraw/zinc/62/84/09/655628409.db2.gz WFNFUILRIIWKNX-MRVPVSSYSA-N 1 0 380.297 1.772 20 0 GDADRO O=C(CSC(F)(F)F)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852931105 655628645 /nfs/dbraw/zinc/62/86/45/655628645.db2.gz TWYGBGAPPCBYDE-LLVKDONJSA-N 1 0 377.436 1.778 20 0 GDADRO C[C@]1(NC(=O)c2cnn(-c3ccccc3)c2I)CC[NH2+]C1 ZINC000852930284 655628649 /nfs/dbraw/zinc/62/86/49/655628649.db2.gz IEWUCMTZXVSMKV-HNNXBMFYSA-N 1 0 396.232 1.959 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@]2(C)CC[NH2+]C2)ccc1Br ZINC000852928632 655628651 /nfs/dbraw/zinc/62/86/51/655628651.db2.gz QXYRZBTZWCEYKX-CQSZACIVSA-N 1 0 390.303 1.181 20 0 GDADRO C[C@]1(NC(=O)C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CC[NH2+]C1 ZINC000853338503 655638497 /nfs/dbraw/zinc/63/84/97/655638497.db2.gz BZSCOPAJUWLWEC-KRWDZBQOSA-N 1 0 382.917 1.700 20 0 GDADRO COc1nc(C)c(Br)cc1-c1noc(-c2cn(CC[NH3+])nn2)n1 ZINC000854154402 655657652 /nfs/dbraw/zinc/65/76/52/655657652.db2.gz TURKRMUJEPXHON-UHFFFAOYSA-N 1 0 380.206 1.428 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cn2c(Br)cnc2s1 ZINC000854353340 655663552 /nfs/dbraw/zinc/66/35/52/655663552.db2.gz WUOVRQDPJXLOBH-SNVBAGLBSA-N 1 0 384.303 1.278 20 0 GDADRO Cc1c(Cl)c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)sc1S(N)(=O)=O ZINC000855163580 655686109 /nfs/dbraw/zinc/68/61/09/655686109.db2.gz DCJXZXRXAWTBGM-SECBINFHSA-N 1 0 379.935 1.960 20 0 GDADRO O=C(NCC[S@](=O)CC(F)(F)F)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000855273637 655689236 /nfs/dbraw/zinc/68/92/36/655689236.db2.gz DFNXHCHOUKEMSO-SXBQZSJRSA-N 1 0 377.432 1.721 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000855347056 655692503 /nfs/dbraw/zinc/69/25/03/655692503.db2.gz RIUDQPGWNATPIR-LBPRGKRZSA-N 1 0 390.937 1.140 20 0 GDADRO Cc1nc(Br)sc1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000855697865 655699713 /nfs/dbraw/zinc/69/97/13/655699713.db2.gz FORXPVTVEQLXDL-UHFFFAOYSA-N 1 0 377.308 1.306 20 0 GDADRO Cn1nc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cc1Br ZINC000856412864 655712868 /nfs/dbraw/zinc/71/28/68/655712868.db2.gz YUWARHLVQKAALU-GFCCVEGCSA-N 1 0 385.306 1.898 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000856724217 655715296 /nfs/dbraw/zinc/71/52/96/655715296.db2.gz XZXAUJSMYYGYEW-GJZGRUSLSA-N 1 0 375.535 1.647 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856819720 655719754 /nfs/dbraw/zinc/71/97/54/655719754.db2.gz YYRKZHOWTGGCNI-WMLDXEAASA-N 1 0 375.535 1.647 20 0 GDADRO O=C(NCC[C@@H]1CC1(Cl)Cl)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000856839020 655720126 /nfs/dbraw/zinc/72/01/26/655720126.db2.gz GVOZHRYBABKFGI-ZIAGYGMSSA-N 1 0 379.332 1.276 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC[C@H]2CC2(Cl)Cl)CC1 ZINC000856889672 655721475 /nfs/dbraw/zinc/72/14/75/655721475.db2.gz BAUWCJAYOVYTFM-ZDUSSCGKSA-N 1 0 377.316 1.520 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)sc1Br ZINC000857008446 655725508 /nfs/dbraw/zinc/72/55/08/655725508.db2.gz JMYZUJRQEVHXPH-KRTXAFLBSA-N 1 0 394.316 1.111 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(Br)nc2n1CCOC2 ZINC000857149463 655729198 /nfs/dbraw/zinc/72/91/98/655729198.db2.gz YOKCLEHPSNYACH-NEPJUHHUSA-N 1 0 383.290 1.875 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c(C)c1Cl ZINC000857234469 655731599 /nfs/dbraw/zinc/73/15/99/655731599.db2.gz KRCKEEVNPZIINT-XPTSAGLGSA-N 1 0 378.903 1.998 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c(Cl)s1 ZINC000857235343 655731696 /nfs/dbraw/zinc/73/16/96/655731696.db2.gz QSBAQQNHXVPYOP-QPUJVOFHSA-N 1 0 384.932 1.307 20 0 GDADRO CC[NH+]1CCN(CCC(=O)N2CC(O)(c3cccc(Br)c3)C2)CC1 ZINC000857421911 655737027 /nfs/dbraw/zinc/73/70/27/655737027.db2.gz UKGGITAYZRHRLY-UHFFFAOYSA-N 1 0 396.329 1.507 20 0 GDADRO COC(=O)CC1CCC([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000858377719 655747667 /nfs/dbraw/zinc/74/76/67/655747667.db2.gz BNLRBUACMSNJGK-UHFFFAOYSA-N 1 0 382.473 1.962 20 0 GDADRO C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)C1CCS(=O)(=O)CC1 ZINC000858501876 655748925 /nfs/dbraw/zinc/74/89/25/655748925.db2.gz VGQAQVBCIZILAC-CQSZACIVSA-N 1 0 378.535 1.673 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(C(=O)OC)ccc1Br ZINC000858624643 655751072 /nfs/dbraw/zinc/75/10/72/655751072.db2.gz IKXIINOPBMXHCT-NWDGAFQWSA-N 1 0 391.287 1.655 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000858961665 655757500 /nfs/dbraw/zinc/75/75/00/655757500.db2.gz GHMXTYVLMFPLMW-NSHDSACASA-N 1 0 379.404 1.808 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Br)nc1F ZINC000859016654 655759587 /nfs/dbraw/zinc/75/95/87/655759587.db2.gz UTVQLABKHXYNQD-ZJUUUORDSA-N 1 0 380.283 1.944 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1C ZINC000859084415 655762433 /nfs/dbraw/zinc/76/24/33/655762433.db2.gz DSODSLVSZYFWNQ-HUUCEWRRSA-N 1 0 387.527 1.839 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000859379551 655779826 /nfs/dbraw/zinc/77/98/26/655779826.db2.gz MTSKBDJKHOAVGQ-NSHDSACASA-N 1 0 379.258 1.933 20 0 GDADRO CN(CCOCC[NH3+])C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000859657797 655788338 /nfs/dbraw/zinc/78/83/38/655788338.db2.gz OVNVXZWOOFQLIW-UHFFFAOYSA-N 1 0 393.893 1.202 20 0 GDADRO C[NH+](C)CCCN(C(=O)[C@@H]1C[C@]1(C)Br)[C@@H]1CCS(=O)(=O)C1 ZINC000859940233 655791899 /nfs/dbraw/zinc/79/18/99/655791899.db2.gz BEFQGDSRQMSESK-DYEKYZERSA-N 1 0 381.336 1.127 20 0 GDADRO C[NH+](C)CCCN(C(=O)[C@@H]1C[C@@]1(C)Br)[C@@H]1CCS(=O)(=O)C1 ZINC000859940234 655791905 /nfs/dbraw/zinc/79/19/05/655791905.db2.gz BEFQGDSRQMSESK-MBNYWOFBSA-N 1 0 381.336 1.127 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000861539302 655825310 /nfs/dbraw/zinc/82/53/10/655825310.db2.gz CUUBPDIBKBRGGL-SNVBAGLBSA-N 1 0 380.246 1.379 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000861594526 655826247 /nfs/dbraw/zinc/82/62/47/655826247.db2.gz KSZFPVRHTIUWBQ-ZDUSSCGKSA-N 1 0 388.559 1.454 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000861772006 655830352 /nfs/dbraw/zinc/83/03/52/655830352.db2.gz NEAIVDBEVDZQTI-LKFCYVNXSA-N 1 0 386.265 1.961 20 0 GDADRO O=C(NCc1ccc(Br)cc1F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861792920 655830811 /nfs/dbraw/zinc/83/08/11/655830811.db2.gz XMASEVMEUITAHM-ZDUSSCGKSA-N 1 0 384.249 1.605 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCNC(=O)Nc3ccc(Br)cc3)C[C@H]21 ZINC000861909936 655833467 /nfs/dbraw/zinc/83/34/67/655833467.db2.gz URFANOVQEWWSCS-FOLVSLTJSA-N 1 0 395.301 1.979 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cccn4c(I)cnc34)C[C@H]21 ZINC000861911246 655833507 /nfs/dbraw/zinc/83/35/07/655833507.db2.gz NMTUKQGZNRJCMC-PJXYFTJBSA-N 1 0 396.232 1.571 20 0 GDADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CS1(=O)=O ZINC000862414186 655846032 /nfs/dbraw/zinc/84/60/32/655846032.db2.gz PDKDTOOPRTVENG-HZSPNIEDSA-N 1 0 376.519 1.914 20 0 GDADRO C[N@H+](CN1CC(c2ccc(Br)cc2)=CC1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863323826 655865888 /nfs/dbraw/zinc/86/58/88/655865888.db2.gz VETVJSQQDMOGPS-JNSHFYNHSA-N 1 0 378.270 1.828 20 0 GDADRO C[C@@H]([NH3+])CN(C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000863566836 655875670 /nfs/dbraw/zinc/87/56/70/655875670.db2.gz RHBCHFSSZKJNPE-LLVKDONJSA-N 1 0 376.910 1.198 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000863565220 655875766 /nfs/dbraw/zinc/87/57/66/655875766.db2.gz CNHJMNPZYRKKHD-ZIAGYGMSSA-N 1 0 377.388 1.713 20 0 GDADRO C[C@H]([NH3+])CN(C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000863570732 655875969 /nfs/dbraw/zinc/87/59/69/655875969.db2.gz ZGAGDAUTPXGZJB-LBPRGKRZSA-N 1 0 389.363 1.434 20 0 GDADRO O=C(/C=C/c1ccc(I)o1)NCC[N@H+]1CC[C@H](O)C1 ZINC000863830599 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CC(=O)NCC1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000865509419 655920847 /nfs/dbraw/zinc/92/08/47/655920847.db2.gz XUBUJXSLGMOXTL-UHFFFAOYSA-N 1 0 393.962 1.964 20 0 GDADRO CC(C)n1ncc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1Br ZINC000865674906 655924073 /nfs/dbraw/zinc/92/40/73/655924073.db2.gz FZTHRLWPMAMENW-UHFFFAOYSA-N 1 0 386.338 1.936 20 0 GDADRO COc1cc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc(Br)c1O ZINC000865768138 655926135 /nfs/dbraw/zinc/92/61/35/655926135.db2.gz XKXRMSVSGMLJLQ-OAHLLOKOSA-N 1 0 387.230 1.474 20 0 GDADRO O=C1COC[C@]2(C[NH2+]Cc3cc(Br)cc4c3OCC4)COCCN12 ZINC000865796167 655927051 /nfs/dbraw/zinc/92/70/51/655927051.db2.gz QUCVOWQUDXLIJH-KRWDZBQOSA-N 1 0 397.269 1.101 20 0 GDADRO O=S(=O)(N=S1(=O)CCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000866484714 655946302 /nfs/dbraw/zinc/94/63/02/655946302.db2.gz BBZUIIGVIZRBIP-UHFFFAOYSA-N 1 0 385.555 1.790 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000866683218 655954478 /nfs/dbraw/zinc/95/44/78/655954478.db2.gz 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SDBBUPBJPJLSRS-HNNXBMFYSA-N 1 0 389.315 1.953 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)NC[C@@H](O)c2cccc(Br)c2)cn1 ZINC000868130932 656141605 /nfs/dbraw/zinc/14/16/05/656141605.db2.gz WEYQENJAZFFDDS-OAHLLOKOSA-N 1 0 381.274 1.671 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000868163215 656142410 /nfs/dbraw/zinc/14/24/10/656142410.db2.gz FVUCGQKWAYLBJB-BJHJDKERSA-N 1 0 397.321 1.455 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000868235880 656145514 /nfs/dbraw/zinc/14/55/14/656145514.db2.gz JVRQUWWXSZNUSH-QWHCGFSZSA-N 1 0 397.317 1.298 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868249541 656146302 /nfs/dbraw/zinc/14/63/02/656146302.db2.gz OWLWSGYBLHAQOQ-LURJTMIESA-N 1 0 379.052 1.614 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000868304528 656149974 /nfs/dbraw/zinc/14/99/74/656149974.db2.gz QAGIMESOBXETIF-AULYBMBSSA-N 1 0 395.301 1.841 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](COC)c2cccc(Br)c2)C1 ZINC000868387764 656153542 /nfs/dbraw/zinc/15/35/42/656153542.db2.gz SOKSOTBESFIWSQ-UONOGXRCSA-N 1 0 384.274 1.073 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868416735 656154771 /nfs/dbraw/zinc/15/47/71/656154771.db2.gz FZLUAUFXKSHLCH-GJZGRUSLSA-N 1 0 398.276 1.900 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868416712 656154822 /nfs/dbraw/zinc/15/48/22/656154822.db2.gz BHHCGYWUFCOELE-CABCVRRESA-N 1 0 398.276 1.900 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(S(C)(=O)=O)c(Cl)c3)CC[C@H]21 ZINC000868541192 656160104 /nfs/dbraw/zinc/16/01/04/656160104.db2.gz PSXBWYAKRJCKIA-DZGCQCFKSA-N 1 0 385.917 1.979 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(Br)cn1 ZINC000869122123 656181026 /nfs/dbraw/zinc/18/10/26/656181026.db2.gz QAPQGNZTXXWNHT-NSHDSACASA-N 1 0 384.278 1.106 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)c[nH]c1=O ZINC000869760413 656206667 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GDADRO O=c1cc(C[NH2+][C@@H]2CCOC23CCOCC3)nc2ccc(Br)cn12 ZINC000934402840 657360249 /nfs/dbraw/zinc/36/02/49/657360249.db2.gz CWGPCJWAGYOUNY-CQSZACIVSA-N 1 0 394.269 1.885 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)NCc1c(F)cccc1Cl)C2 ZINC000884500917 657361296 /nfs/dbraw/zinc/36/12/96/657361296.db2.gz SDVYZRLATKCQFG-UHFFFAOYSA-N 1 0 382.848 1.595 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884520122 657362665 /nfs/dbraw/zinc/36/26/65/657362665.db2.gz NGFNMYCBNTVKSV-ZIAGYGMSSA-N 1 0 396.285 1.427 20 0 GDADRO CCN(C(=O)C(=O)NCc1cc(Br)ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000884519965 657362803 /nfs/dbraw/zinc/36/28/03/657362803.db2.gz JAVXFMVIBCEOLU-CYBMUJFWSA-N 1 0 384.274 1.284 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000884533950 657363528 /nfs/dbraw/zinc/36/35/28/657363528.db2.gz UIPVYSFMUTZJOR-UBHAPETDSA-N 1 0 384.299 1.660 20 0 GDADRO C[C@@](CO)([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1cccc(Br)c1 ZINC000934497610 657364180 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378.782 1.756 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000884691755 657373273 /nfs/dbraw/zinc/37/32/73/657373273.db2.gz QUPZTTXDYMIMCC-VIFPVBQESA-N 1 0 378.782 1.486 20 0 GDADRO O=C(NCc1c(Cl)cccc1OC(F)F)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000884694345 657373505 /nfs/dbraw/zinc/37/35/05/657373505.db2.gz JUUKDJAKRSPAFI-SNVBAGLBSA-N 1 0 375.803 1.816 20 0 GDADRO CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000934750285 657373442 /nfs/dbraw/zinc/37/34/42/657373442.db2.gz NXVCSXKGDQNSNH-BZQUYTCOSA-N 1 0 376.567 1.204 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000884796164 657379943 /nfs/dbraw/zinc/37/99/43/657379943.db2.gz CMRDUMDIKGBTTP-MRVPVSSYSA-N 1 0 396.207 1.808 20 0 GDADRO OC[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccccc1I ZINC000934828803 657381888 /nfs/dbraw/zinc/38/18/88/657381888.db2.gz FFAZUKNHKHEJHE-RISCZKNCSA-N 1 0 387.221 1.172 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1S(=O)(=O)C(F)F ZINC000884955165 657389869 /nfs/dbraw/zinc/38/98/69/657389869.db2.gz QLMYJDDHRJJXNU-RYUDHWBXSA-N 1 0 394.465 1.588 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884957269 657390535 /nfs/dbraw/zinc/39/05/35/657390535.db2.gz NKJZZDXVMZLFTO-CHWSQXEVSA-N 1 0 388.511 1.004 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000884990112 657397055 /nfs/dbraw/zinc/39/70/55/657397055.db2.gz BAVUWZIVURBWJJ-SNVBAGLBSA-N 1 0 375.803 1.768 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)NCCSCCC(F)(F)F)C2 ZINC000884991583 657398039 /nfs/dbraw/zinc/39/80/39/657398039.db2.gz ZCNAIPVNHGYHAB-UHFFFAOYSA-N 1 0 396.460 1.288 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1=O ZINC000935085471 657399888 /nfs/dbraw/zinc/39/98/88/657399888.db2.gz QWRXFVBOVFBBDR-ZDUSSCGKSA-N 1 0 382.302 1.952 20 0 GDADRO C[NH+](C)CCOCCNC(=O)[C@](C)(O)c1ccc(F)c(Br)c1 ZINC000935260940 657418513 /nfs/dbraw/zinc/41/85/13/657418513.db2.gz WKFVVICQCOPJDM-OAHLLOKOSA-N 1 0 377.254 1.490 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)CC1 ZINC000885101975 657419755 /nfs/dbraw/zinc/41/97/55/657419755.db2.gz HQARVFKHDVJRNE-UHFFFAOYSA-N 1 0 394.313 1.794 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000885241359 657432874 /nfs/dbraw/zinc/43/28/74/657432874.db2.gz HXQYMVSSPOGWQO-UHFFFAOYSA-N 1 0 396.207 1.762 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@@H](C)c1ccc(I)cc1 ZINC000935431866 657432912 /nfs/dbraw/zinc/43/29/12/657432912.db2.gz QJLTYAGMCGFHJF-LBPRGKRZSA-N 1 0 390.265 1.825 20 0 GDADRO CN(Cc1ccc(Cl)c(F)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885279410 657437857 /nfs/dbraw/zinc/43/78/57/657437857.db2.gz IFOWTTVGFAFGHI-LLVKDONJSA-N 1 0 377.794 1.799 20 0 GDADRO C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000935644716 657459971 /nfs/dbraw/zinc/45/99/71/657459971.db2.gz NUAKNRGLYREPAF-AWEZNQCLSA-N 1 0 399.329 1.827 20 0 GDADRO C[NH+](C)C[C@@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)c1ccc(Cl)cc1 ZINC000935950385 657527680 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GDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCc2cc(F)c(Br)cc2C1 ZINC000886287897 657638491 /nfs/dbraw/zinc/63/84/91/657638491.db2.gz DQWREQANMAPIFR-MRXNPFEDSA-N 1 0 382.277 1.863 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000886320804 657643201 /nfs/dbraw/zinc/64/32/01/657643201.db2.gz GOUZXQSVDOYIOA-UHFFFAOYSA-N 1 0 387.933 1.690 20 0 GDADRO OC[C@@]1([NH2+]CCn2cnc(Br)n2)CCCN(Cc2ccccc2)C1 ZINC000886415699 657654619 /nfs/dbraw/zinc/65/46/19/657654619.db2.gz LQEQKUULCVQNFN-QGZVFWFLSA-N 1 0 394.317 1.657 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1scnc1Cl)C12CC[NH+](CC1)C2 ZINC001004396476 657717632 /nfs/dbraw/zinc/71/76/32/657717632.db2.gz DPWOFADDNDFDJG-UTUOFQBUSA-N 1 0 380.901 1.754 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1Br ZINC000886887958 657718402 /nfs/dbraw/zinc/71/84/02/657718402.db2.gz MXFALXJKXNSCLL-AWEZNQCLSA-N 1 0 393.303 1.505 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000886891579 657719800 /nfs/dbraw/zinc/71/98/00/657719800.db2.gz ACGHSCHPKPMKBE-NSHDSACASA-N 1 0 376.862 1.508 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000886890489 657719815 /nfs/dbraw/zinc/71/98/15/657719815.db2.gz KMXRMIAECMKMJH-JTQLQIEISA-N 1 0 391.287 1.593 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CC)[C@H]2CC[NH2+]C2)cc1 ZINC000886890827 657719920 /nfs/dbraw/zinc/71/99/20/657719920.db2.gz VLQLBRNEQFURAL-HNNXBMFYSA-N 1 0 389.543 1.601 20 0 GDADRO COc1ccc(NC(C)=O)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886895335 657721894 /nfs/dbraw/zinc/72/18/94/657721894.db2.gz IKMXCMCLRDVCJX-LLVKDONJSA-N 1 0 377.413 1.177 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2csc(Cl)n2)C3)CC[N@@H+]1C ZINC001006177940 657730154 /nfs/dbraw/zinc/73/01/54/657730154.db2.gz OTMQBYLZAVREAX-SKENRDBWSA-N 1 0 382.917 1.998 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)n2)C1 ZINC001006290989 657731816 /nfs/dbraw/zinc/73/18/16/657731816.db2.gz 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C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NC(=O)NC(C)(C)C ZINC000901730357 659231954 /nfs/dbraw/zinc/23/19/54/659231954.db2.gz VVRZCSDQKYXFQV-UWVGGRQHSA-N 1 0 386.294 1.563 20 0 GDADRO O=c1oc2cccc(Br)c2n1CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000902642142 659269699 /nfs/dbraw/zinc/26/96/99/659269699.db2.gz FMHWVFGNJRRZDZ-KBPBESRZSA-N 1 0 396.285 1.846 20 0 GDADRO O=S(=O)(CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)N1CCSCC1 ZINC000902795191 659279560 /nfs/dbraw/zinc/27/95/60/659279560.db2.gz CAVXDQGMHSBJII-IRXDYDNUSA-N 1 0 376.588 1.940 20 0 GDADRO C[C@@H]1[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C ZINC000902885427 659282701 /nfs/dbraw/zinc/28/27/01/659282701.db2.gz ADRAWIGMFAFAGU-RBSFLKMASA-N 1 0 375.535 1.788 20 0 GDADRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC1 ZINC000903230155 659308162 /nfs/dbraw/zinc/30/81/62/659308162.db2.gz WGUUAKWCAMCYKD-HOCLYGCPSA-N 1 0 379.592 1.677 20 0 GDADRO C[C@@H]([NH2+]Cc1ncc(Br)cn1)C1CCN(S(C)(=O)=O)CC1 ZINC000903323825 659313598 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396.738 1.507 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1F ZINC000903513748 659322816 /nfs/dbraw/zinc/32/28/16/659322816.db2.gz WQIKWFWCRBWWEN-KCJUWKMLSA-N 1 0 397.266 1.334 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903518376 659325599 /nfs/dbraw/zinc/32/55/99/659325599.db2.gz KSDKDFHLPWSVPU-MWLCHTKSSA-N 1 0 399.822 1.503 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000903530352 659331096 /nfs/dbraw/zinc/33/10/96/659331096.db2.gz ZIGXYGBTUMMLGH-ZDUSSCGKSA-N 1 0 397.317 1.578 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903533082 659331926 /nfs/dbraw/zinc/33/19/26/659331926.db2.gz AJURVWNASMJPFX-KOLCDFICSA-N 1 0 391.287 1.453 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903533774 659331934 /nfs/dbraw/zinc/33/19/34/659331934.db2.gz IKDSESNDDNSQLA-KOLCDFICSA-N 1 0 375.878 1.441 20 0 GDADRO CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 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GDADRO O=S(=O)(NC[C@H]1CCCCC[NH2+]1)c1ccccc1S(=O)(=O)C(F)F ZINC000903566570 659344015 /nfs/dbraw/zinc/34/40/15/659344015.db2.gz DHFKWUTYSFPIPF-LLVKDONJSA-N 1 0 382.454 1.493 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@H]1C(F)(F)F ZINC000903572177 659344970 /nfs/dbraw/zinc/34/49/70/659344970.db2.gz GPDIWFNPBBQSTR-VXNVDRBHSA-N 1 0 378.294 1.937 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C[C@H]1C(F)(F)F ZINC000903572826 659345680 /nfs/dbraw/zinc/34/56/80/659345680.db2.gz GEKZESCYSPKJPA-PHDIDXHHSA-N 1 0 386.808 1.855 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000903575178 659346480 /nfs/dbraw/zinc/34/64/80/659346480.db2.gz GRGPGWYTWGTIHQ-LBPRGKRZSA-N 1 0 390.303 1.311 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903578053 659348959 /nfs/dbraw/zinc/34/89/59/659348959.db2.gz AZACQNYFGKXBQA-ZIAGYGMSSA-N 1 0 379.404 1.223 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cn1C ZINC000903578199 659349237 /nfs/dbraw/zinc/34/92/37/659349237.db2.gz CWEKUUCUTSOEQR-MNOVXSKESA-N 1 0 383.392 1.102 20 0 GDADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903578781 659349948 /nfs/dbraw/zinc/34/99/48/659349948.db2.gz JMDNWFZDJYJVQQ-MWLCHTKSSA-N 1 0 384.351 1.513 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1F ZINC000903579975 659350773 /nfs/dbraw/zinc/35/07/73/659350773.db2.gz RKWSXJUDBMRZCH-ZYHUDNBSSA-N 1 0 384.351 1.513 20 0 GDADRO CNC(=O)c1ccc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903580677 659351542 /nfs/dbraw/zinc/35/15/42/659351542.db2.gz XLJGGHCFXKAGLE-QWHCGFSZSA-N 1 0 379.404 1.088 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 ZINC000903589400 659355871 /nfs/dbraw/zinc/35/58/71/659355871.db2.gz AYTUNDNZOUKYLC-UHFFFAOYSA-N 1 0 395.522 1.594 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cc1Br ZINC000903591968 659356792 /nfs/dbraw/zinc/35/67/92/659356792.db2.gz JZOPFNKJSOKPOF-QMTHXVAHSA-N 1 0 375.288 1.960 20 0 GDADRO CN(C)[S@](C)(=O)=NS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000903605283 659361389 /nfs/dbraw/zinc/36/13/89/659361389.db2.gz FOBCOWHQSNFCCX-HSZRJFAPSA-N 1 0 398.938 1.512 20 0 GDADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903793631 659381050 /nfs/dbraw/zinc/38/10/50/659381050.db2.gz ZSCLNYZHFQMHHN-ZIAGYGMSSA-N 1 0 398.301 1.137 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C[C@H]1[NH3+] ZINC000903802314 659381809 /nfs/dbraw/zinc/38/18/09/659381809.db2.gz UEUVGJBDSJNQDC-LERXQTSPSA-N 1 0 381.274 1.313 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)N(C)CCc1ccc(Br)cc1)C(C)C ZINC000903809425 659382218 /nfs/dbraw/zinc/38/22/18/659382218.db2.gz SFTQQFLOIAOADK-UHFFFAOYSA-N 1 0 384.318 1.906 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(Cc3c(F)cccc3Cl)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904080056 659394320 /nfs/dbraw/zinc/39/43/20/659394320.db2.gz XRYAYYYGAJRVQR-DRCTWCGVSA-N 1 0 385.848 1.628 20 0 GDADRO 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O=C(Nc1cccc2c(Br)ccnc12)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906730948 659577730 /nfs/dbraw/zinc/57/77/30/659577730.db2.gz ASFXDUNTTUOPKZ-LJWDBELGSA-N 1 0 389.253 1.945 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000906749236 659581515 /nfs/dbraw/zinc/58/15/15/659581515.db2.gz WAFLRVVSUZHLBW-JTQLQIEISA-N 1 0 390.267 1.777 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000906757523 659582516 /nfs/dbraw/zinc/58/25/16/659582516.db2.gz XZKAPQCTCYHUOO-SECBINFHSA-N 1 0 378.231 1.908 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cccc(I)c1)C2 ZINC000906756888 659582576 /nfs/dbraw/zinc/58/25/76/659582576.db2.gz WHOOULSDTGZNHC-NDMJEZRESA-N 1 0 399.232 1.568 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)ccc1Br ZINC000906765522 659584062 /nfs/dbraw/zinc/58/40/62/659584062.db2.gz OFPBDBWAIUXCGN-INIZCTEOSA-N 1 0 382.258 1.751 20 0 GDADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2I)CC[N@@H+]1C ZINC000906790588 659588626 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YMZBWFIFHRYHAU-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO Cn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(I)n1 ZINC000907762289 659825003 /nfs/dbraw/zinc/82/50/03/659825003.db2.gz KTMRRLJQVTZHTQ-LLVKDONJSA-N 1 0 388.253 1.771 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)c3cnnn3-c3ccccc3Br)C[C@H]2C1 ZINC000907804854 659833246 /nfs/dbraw/zinc/83/32/46/659833246.db2.gz MFGAGCZYICEWIW-TXEJJXNPSA-N 1 0 376.258 1.663 20 0 GDADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000907855335 659839569 /nfs/dbraw/zinc/83/95/69/659839569.db2.gz IHUQHFLCXLHUKF-UHFFFAOYSA-N 1 0 376.475 1.088 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cn(C)nc1I ZINC000907929325 659845687 /nfs/dbraw/zinc/84/56/87/659845687.db2.gz HJCNQEJNHOVPHG-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)c2cc3ncc(Br)cn3n2)CC1(C)C ZINC000908002274 659852156 /nfs/dbraw/zinc/85/21/56/659852156.db2.gz QCSKEALMEMYOKF-UHFFFAOYSA-N 1 0 395.305 1.248 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(Br)cn(C2CC2)c1=O ZINC000908204485 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Cc1cc(NC2CC(N(C)C(=O)[C@@H]3CCCOCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266733 945553065 /nfs/dbraw/zinc/55/30/65/945553065.db2.gz YCVZWCFCSKEQAV-WLYUNCDWSA-N 1 0 385.472 1.210 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C1=COCCC1 ZINC001571269496 945621206 /nfs/dbraw/zinc/62/12/06/945621206.db2.gz ZSSDMSFIGWIERC-CQSZACIVSA-N 1 0 386.431 1.638 20 0 GDADRO O=C(c1cnon1)N1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001571270106 945630775 /nfs/dbraw/zinc/63/07/75/945630775.db2.gz NJMQXFFGWPRCSA-GXFFZTMASA-N 1 0 386.441 1.048 20 0 GDADRO Cc1ncsc1C[NH+]1CCC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571271339 945642126 /nfs/dbraw/zinc/64/21/26/945642126.db2.gz AIEJBBLWTQZJPW-UHFFFAOYSA-N 1 0 386.485 1.602 20 0 GDADRO Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)s1 ZINC001571271564 945644133 /nfs/dbraw/zinc/64/41/33/945644133.db2.gz DLGIHZUQBODJSA-ZYHUDNBSSA-N 1 0 386.485 1.600 20 0 GDADRO Cc1ncsc1C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571271682 945647883 /nfs/dbraw/zinc/64/78/83/945647883.db2.gz HDBXRKUOJIFADX-GFCCVEGCSA-N 1 0 386.485 1.696 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2C)n(C)n1 ZINC001571271733 945648049 /nfs/dbraw/zinc/64/80/49/945648049.db2.gz IJMKUQXTTNJWGL-RYUDHWBXSA-N 1 0 386.485 1.363 20 0 GDADRO O=C(Cn1cccn1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271730 945648757 /nfs/dbraw/zinc/64/87/57/945648757.db2.gz IGIZPVDWDWBANN-ZDUSSCGKSA-N 1 0 386.485 1.296 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)COc2ccccc2-c2nn[nH]n2)C1 ZINC000821188775 945649222 /nfs/dbraw/zinc/64/92/22/945649222.db2.gz CMWSLCZCBPOVCE-OAHLLOKOSA-N 1 0 388.472 1.205 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271869 945652536 /nfs/dbraw/zinc/65/25/36/945652536.db2.gz LHFXPRUCYDCMIY-ZYHUDNBSSA-N 1 0 386.485 1.743 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]CCc2ccns2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571272723 945669632 /nfs/dbraw/zinc/66/96/32/945669632.db2.gz YNBBDEVJKXJTBE-WCQYABFASA-N 1 0 386.485 1.382 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC001571274611 945699253 /nfs/dbraw/zinc/69/92/53/945699253.db2.gz IWWDGJDMMHZLRN-MGPLVRAMSA-N 1 0 387.394 1.723 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC001571275639 945711249 /nfs/dbraw/zinc/71/12/49/945711249.db2.gz ZUZHHYRBYWLAFM-MEBBXXQBSA-N 1 0 387.394 1.723 20 0 GDADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000821596323 945735570 /nfs/dbraw/zinc/73/55/70/945735570.db2.gz GWBSEAGYLGLBGW-OAHLLOKOSA-N 1 0 395.471 1.586 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001571278085 945748486 /nfs/dbraw/zinc/74/84/86/945748486.db2.gz VSPYRRHMVASMAF-CYBMUJFWSA-N 1 0 387.394 1.867 20 0 GDADRO Cc1cc[nH]c1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281612 945807974 /nfs/dbraw/zinc/80/79/74/945807974.db2.gz KBBWVEQDWPNYNS-GFCCVEGCSA-N 1 0 387.469 1.196 20 0 GDADRO Cc1conc1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C(C)(C)C1 ZINC001571281741 945811563 /nfs/dbraw/zinc/81/15/63/945811563.db2.gz MWTIYPUTBNPJKO-CYBMUJFWSA-N 1 0 387.469 1.865 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)Cc2cnoc2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571282214 945834969 /nfs/dbraw/zinc/83/49/69/945834969.db2.gz UXHZMYLMWZNRBD-AAEUAGOBSA-N 1 0 387.469 1.628 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1nccs1 ZINC001571283111 945876928 /nfs/dbraw/zinc/87/69/28/945876928.db2.gz ZKZQHVQGOBJPRS-TXEJJXNPSA-N 1 0 387.444 1.761 20 0 GDADRO O=C(NC1CCC([NH2+]CCC2CCOCC2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571283725 945889466 /nfs/dbraw/zinc/88/94/66/945889466.db2.gz IKRKHNSRDDBNDN-UHFFFAOYSA-N 1 0 387.488 1.642 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 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/nfs/dbraw/zinc/01/53/38/946015338.db2.gz LDNUSXHTIVYWOS-JTQLQIEISA-N 1 0 388.457 1.054 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1csc(=O)[nH]1 ZINC001571291596 946077469 /nfs/dbraw/zinc/07/74/69/946077469.db2.gz MJLPLZURUXBEDE-PHIMTYICSA-N 1 0 389.416 1.219 20 0 GDADRO O=C(NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCc2cccnc21 ZINC001571294546 946138796 /nfs/dbraw/zinc/13/87/96/946138796.db2.gz IRQXRCQIXSRAKW-GOSISDBHSA-N 1 0 389.463 1.540 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccc2c1OCC2 ZINC001571295771 946173852 /nfs/dbraw/zinc/17/38/52/946173852.db2.gz FPKVVKGYULHRTO-QAQDUYKDSA-N 1 0 390.447 1.852 20 0 GDADRO CS[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C2 ZINC001571298310 946214859 /nfs/dbraw/zinc/21/48/59/946214859.db2.gz NGBAJROHGQGBQR-GFCCVEGCSA-N 1 0 390.488 1.792 20 0 GDADRO Cc1nsc(N(C)[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571298526 946219264 /nfs/dbraw/zinc/21/92/64/946219264.db2.gz AHMMVMYLQFXXSL-STQMWFEESA-N 1 0 390.517 1.153 20 0 GDADRO Cc1nsc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571298584 946220969 /nfs/dbraw/zinc/22/09/69/946220969.db2.gz BHXLWGDSQLXSNX-AVGNSLFASA-N 1 0 390.517 1.423 20 0 GDADRO Cc1cc(N[C@H]2C[C@@H](NC(=O)C3(c4cccnc4)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571298656 946223915 /nfs/dbraw/zinc/22/39/15/946223915.db2.gz IMYDNPWKILKJBS-GASCZTMLSA-N 1 0 390.451 1.178 20 0 GDADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC001571298747 946228611 /nfs/dbraw/zinc/22/86/11/946228611.db2.gz CVRYPQVVZCBEBQ-MRXNPFEDSA-N 1 0 390.513 1.942 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001571298817 946230276 /nfs/dbraw/zinc/23/02/76/946230276.db2.gz DUTKUITWAPHWGO-RISCZKNCSA-N 1 0 390.879 1.270 20 0 GDADRO O=C(COC1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299014 946235735 /nfs/dbraw/zinc/23/57/35/946235735.db2.gz GVJXMTZNIHANOB-CYBMUJFWSA-N 1 0 390.513 1.968 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)SC)C1 ZINC001571299061 946237923 /nfs/dbraw/zinc/23/79/23/946237923.db2.gz IAWFFAVWGSWWDW-DOMZBBRYSA-N 1 0 390.513 1.707 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C)SC)C1 ZINC001571299067 946239206 /nfs/dbraw/zinc/23/92/06/946239206.db2.gz IAWFFAVWGSWWDW-WFASDCNBSA-N 1 0 390.513 1.707 20 0 GDADRO O=C(c1cc2c([nH]1)CCC2)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571299134 946240883 /nfs/dbraw/zinc/24/08/83/946240883.db2.gz UQBPUZUWYHKQHS-OKILXGFUSA-N 1 0 390.451 1.287 20 0 GDADRO O=C(N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCc2cccnc21 ZINC001571299443 946250593 /nfs/dbraw/zinc/25/05/93/946250593.db2.gz WIMCFSUPGAODIM-QEJZJMRPSA-N 1 0 390.451 1.115 20 0 GDADRO C[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001571299887 946264401 /nfs/dbraw/zinc/26/44/01/946264401.db2.gz QGCSZIQBIZAANK-OCCSQVGLSA-N 1 0 390.513 1.681 20 0 GDADRO CO[C@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571300328 946281391 /nfs/dbraw/zinc/28/13/91/946281391.db2.gz ZUCKMDLHLBHOQT-GJZGRUSLSA-N 1 0 390.513 1.824 20 0 GDADRO COc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)ccn1 ZINC001571302805 946315824 /nfs/dbraw/zinc/31/58/24/946315824.db2.gz CWTIAWFMNVKZNG-VQFNDLOPSA-N 1 0 391.435 1.131 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3ccc4c(c3)COC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571302995 946321821 /nfs/dbraw/zinc/32/18/21/946321821.db2.gz GXWWPPHYBDGEKZ-INIZCTEOSA-N 1 0 391.435 1.349 20 0 GDADRO O=C(CCc1cccnc1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571305438 946365284 /nfs/dbraw/zinc/36/52/84/946365284.db2.gz BCRBGJMQIQPOAX-GOSISDBHSA-N 1 0 391.479 1.975 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571306305 946394954 /nfs/dbraw/zinc/39/49/54/946394954.db2.gz RZIITDBJEATUSX-VQIMIIECSA-N 1 0 391.479 1.942 20 0 GDADRO CCc1cc(C(=O)N2CC3(C2)CC[N@H+](Cc2ccc(-c4nn[nH]n4)cc2)C3)[nH]n1 ZINC001571312722 946501096 /nfs/dbraw/zinc/50/10/96/946501096.db2.gz BRTCDHVUBHBZAK-UHFFFAOYSA-N 1 0 392.467 1.500 20 0 GDADRO CCn1cccc1C(=O)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571313041 946511049 /nfs/dbraw/zinc/51/10/49/946511049.db2.gz ILGXQZHRRSSCSF-FQEVSTJZSA-N 1 0 392.467 1.826 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)CCc1ncccn1 ZINC001571313283 946518070 /nfs/dbraw/zinc/51/80/70/946518070.db2.gz LKMWFNQLKKZGNN-WMLDXEAASA-N 1 0 392.467 1.369 20 0 GDADRO CC(=O)N1CCC([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000823973548 946529904 /nfs/dbraw/zinc/52/99/04/946529904.db2.gz KLZJKMNUDDQEJI-UHFFFAOYSA-N 1 0 383.500 1.432 20 0 GDADRO C[C@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571314055 946540411 /nfs/dbraw/zinc/54/04/11/946540411.db2.gz ZGBHJFKHXUWTJC-HOCLYGCPSA-N 1 0 392.467 1.218 20 0 GDADRO Cc1cccc(C(=O)N2CC[C@@](C)(CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001571315624 946555243 /nfs/dbraw/zinc/55/52/43/946555243.db2.gz MLMIBUFFKRIJLG-FQEVSTJZSA-N 1 0 392.467 1.660 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)ncn1 ZINC001571315643 946555264 /nfs/dbraw/zinc/55/52/64/946555264.db2.gz MVYUKLOWQNOLAU-HNNXBMFYSA-N 1 0 392.467 1.607 20 0 GDADRO Cc1cc(N[C@@H]2CCC[C@H](NC(=O)Cc3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316290 946570802 /nfs/dbraw/zinc/57/08/02/946570802.db2.gz YNMLPDDFJQDQKO-CVEARBPZSA-N 1 0 392.467 1.469 20 0 GDADRO O=C(CCc1cccnc1)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571316339 946574669 /nfs/dbraw/zinc/57/46/69/946574669.db2.gz ACKMFXIWFVSWMS-INIZCTEOSA-N 1 0 392.467 1.362 20 0 GDADRO Cc1cncc(C[N@@H+]2CC[C@@]3(CCN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C3)C2)c1 ZINC001571316558 946581471 /nfs/dbraw/zinc/58/14/71/946581471.db2.gz GHDWMCFJDWAOJW-HXUWFJFHSA-N 1 0 392.467 1.636 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1ccnn1C1CCC1 ZINC001571316566 946583093 /nfs/dbraw/zinc/58/30/93/946583093.db2.gz GTEAXPWWNBZZFS-HNNXBMFYSA-N 1 0 392.467 1.793 20 0 GDADRO Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)cc1C ZINC001571316693 946584651 /nfs/dbraw/zinc/58/46/51/946584651.db2.gz KBAWLAYFQMWEHJ-GDBMZVCRSA-N 1 0 392.467 1.706 20 0 GDADRO O=C(Cc1ncc[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571316650 946585683 /nfs/dbraw/zinc/58/56/83/946585683.db2.gz JFLRTGFQQHVRDY-SJORKVTESA-N 1 0 392.467 1.398 20 0 GDADRO Cn1cc(C(=O)N2CCC3(C[NH+](Cc4ccc(-c5nn[nH]n5)cc4)C3)CC2)cn1 ZINC001571316839 946589607 /nfs/dbraw/zinc/58/96/07/946589607.db2.gz NWUDFWQENGURHY-UHFFFAOYSA-N 1 0 392.467 1.338 20 0 GDADRO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)n1C ZINC001571316974 946595909 /nfs/dbraw/zinc/59/59/09/946595909.db2.gz RBBYUOHMLRHRIZ-IKGGRYGDSA-N 1 0 392.467 1.444 20 0 GDADRO Cc1nccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571317149 946601022 /nfs/dbraw/zinc/60/10/22/946601022.db2.gz WQGBSWNFFJONAG-ZBFHGGJFSA-N 1 0 392.467 1.653 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCc2nccn2C1 ZINC001571317247 946603257 /nfs/dbraw/zinc/60/32/57/946603257.db2.gz YVHPFUDKHXTWNX-SJORKVTESA-N 1 0 392.467 1.016 20 0 GDADRO Cc1nsc(NC2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c1-c1nn[nH]n1 ZINC001571317779 946622032 /nfs/dbraw/zinc/62/20/32/946622032.db2.gz VRCUGXSRHNQJNG-CQSZACIVSA-N 1 0 392.533 1.621 20 0 GDADRO C[C@@H](CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[S@@](C)=O ZINC000824400860 946682478 /nfs/dbraw/zinc/68/24/78/946682478.db2.gz LVCHFNZYEJEZOC-RMKBEBRYSA-N 1 0 376.530 1.578 20 0 GDADRO C[C@@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)CN1CCOCC1 ZINC000824429467 946706695 /nfs/dbraw/zinc/70/66/95/946706695.db2.gz XNZDBFOZBZVTTM-KRWDZBQOSA-N 1 0 399.543 1.389 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553728 946794262 /nfs/dbraw/zinc/79/42/62/946794262.db2.gz GENCXKMYVIQPSW-CJNGLKHVSA-N 1 0 377.452 1.895 20 0 GDADRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824593276 946846347 /nfs/dbraw/zinc/84/63/47/946846347.db2.gz QCFKVFBIVRVCSA-LBPRGKRZSA-N 1 0 392.510 1.900 20 0 GDADRO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824808759 946940239 /nfs/dbraw/zinc/94/02/39/946940239.db2.gz YWQNQJTZWXVBLN-UHFFFAOYSA-N 1 0 397.483 1.528 20 0 GDADRO C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824859281 946952443 /nfs/dbraw/zinc/95/24/43/946952443.db2.gz PJMBWYXMKJUZCB-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO C=C/C(C)=C/CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573315675 947253873 /nfs/dbraw/zinc/25/38/73/947253873.db2.gz DLRMGCVMLZLJAL-IUYQLWOBSA-N 1 0 384.484 1.640 20 0 GDADRO C=C/C(C)=C/CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001573318089 947303222 /nfs/dbraw/zinc/30/32/22/947303222.db2.gz QBVFTVBZDWOUGU-LNKIKWGQSA-N 1 0 383.456 1.283 20 0 GDADRO CN(C)CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000825860006 947351132 /nfs/dbraw/zinc/35/11/32/947351132.db2.gz JZPMWUWENWGCIF-MRXNPFEDSA-N 1 0 394.545 1.596 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573593692 947378167 /nfs/dbraw/zinc/37/81/67/947378167.db2.gz UVGNEIUMRKIQLP-SWLSCSKDSA-N 1 0 390.463 1.303 20 0 GDADRO Cn1cc(C[N@H+](C)CCN2CCCC2=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825938650 947378953 /nfs/dbraw/zinc/37/89/53/947378953.db2.gz UPRKJIVJBXRULZ-UHFFFAOYSA-N 1 0 380.456 1.321 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573596965 947434350 /nfs/dbraw/zinc/43/43/50/947434350.db2.gz MFZXYWARSQEMLR-PBHICJAKSA-N 1 0 380.456 1.357 20 0 GDADRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@@H]1C ZINC000826132401 947445978 /nfs/dbraw/zinc/44/59/78/947445978.db2.gz FCIHLYUZFNFEAM-MAZHCROVSA-N 1 0 384.440 1.103 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cccn1 ZINC001573602701 947470324 /nfs/dbraw/zinc/47/03/24/947470324.db2.gz HEMMQAZCAUOIIL-ZDUSSCGKSA-N 1 0 386.435 1.354 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573602998 947477487 /nfs/dbraw/zinc/47/74/87/947477487.db2.gz IKPATOHIYOCIPO-CQSZACIVSA-N 1 0 382.472 1.294 20 0 GDADRO C[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001573603561 947492136 /nfs/dbraw/zinc/49/21/36/947492136.db2.gz NGZZPXVOISQQOX-HNNXBMFYSA-N 1 0 386.504 1.421 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cccc1 ZINC001573604519 947513172 /nfs/dbraw/zinc/51/31/72/947513172.db2.gz VGWBACFCTPMXSX-CQSZACIVSA-N 1 0 385.447 1.959 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)NCC1=CC[N@H+](C)CC1 ZINC000826175418 947546027 /nfs/dbraw/zinc/54/60/27/947546027.db2.gz DMUGEPHAFSPROE-UHFFFAOYSA-N 1 0 386.456 1.412 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573615181 947599685 /nfs/dbraw/zinc/59/96/85/947599685.db2.gz IQIRMAAHDLAEIS-CABCVRRESA-N 1 0 380.456 1.397 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001573354320 947630699 /nfs/dbraw/zinc/63/06/99/947630699.db2.gz ABEZLELKMQDLFF-GOSISDBHSA-N 1 0 378.436 1.390 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)cc1 ZINC001573355107 947640316 /nfs/dbraw/zinc/64/03/16/947640316.db2.gz MRRLIWYBHNFARV-KRWDZBQOSA-N 1 0 378.436 1.390 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)cc1 ZINC001573355939 947645180 /nfs/dbraw/zinc/64/51/80/947645180.db2.gz STUNHGFENHXOKS-QGZVFWFLSA-N 1 0 378.436 1.390 20 0 GDADRO C[C@H](C(=O)N1CCC(N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573618806 947655892 /nfs/dbraw/zinc/65/58/92/947655892.db2.gz SFBLYJKWHGDLEY-CQSZACIVSA-N 1 0 380.456 1.752 20 0 GDADRO CS[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1[NH+](C)C ZINC000826227190 947667117 /nfs/dbraw/zinc/66/71/17/947667117.db2.gz NJYVZUNDJSAHST-OCCSQVGLSA-N 1 0 384.456 1.946 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1F ZINC001573625192 947698239 /nfs/dbraw/zinc/69/82/39/947698239.db2.gz NPOAHCMJQREXFL-CHWSQXEVSA-N 1 0 381.415 1.639 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573367751 947763091 /nfs/dbraw/zinc/76/30/91/947763091.db2.gz HONVEJBTLBBJCK-YVEFUNNKSA-N 1 0 388.447 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573368008 947767213 /nfs/dbraw/zinc/76/72/13/947767213.db2.gz KSANWWRNGPDCAC-KDOFPFPSSA-N 1 0 384.484 1.810 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573369824 947776062 /nfs/dbraw/zinc/77/60/62/947776062.db2.gz XKAAAWIQVWEJPA-SMDDNHRTSA-N 1 0 376.486 1.624 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001573373127 947789002 /nfs/dbraw/zinc/78/90/02/947789002.db2.gz AZSQRGRGCOWDAB-JKSUJKDBSA-N 1 0 383.456 1.282 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573376916 947844814 /nfs/dbraw/zinc/84/48/14/947844814.db2.gz FIKUOYTZZBZMEM-OLZOCXBDSA-N 1 0 376.436 1.748 20 0 GDADRO CC(=O)CCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573377122 947847822 /nfs/dbraw/zinc/84/78/22/947847822.db2.gz IQMXGWDFDBZPPO-QWHCGFSZSA-N 1 0 376.436 1.748 20 0 GDADRO C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001573641623 947856136 /nfs/dbraw/zinc/85/61/36/947856136.db2.gz MJPRNLCRSFRZGD-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001573641629 947856490 /nfs/dbraw/zinc/85/64/90/947856490.db2.gz MJPRNLCRSFRZGD-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573383916 947899756 /nfs/dbraw/zinc/89/97/56/947899756.db2.gz ZTWXGOLLZWOZCM-OAHLLOKOSA-N 1 0 388.447 1.703 20 0 GDADRO Cc1cnc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826317901 947929471 /nfs/dbraw/zinc/92/94/71/947929471.db2.gz PLOPTUYFQGETBJ-AWEZNQCLSA-N 1 0 398.471 1.998 20 0 GDADRO C[C@H](C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001573652497 947939980 /nfs/dbraw/zinc/93/99/80/947939980.db2.gz CVMAZSLUNPFTQP-PSLIRLAXSA-N 1 0 383.378 1.579 20 0 GDADRO Cc1onc(CC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826343886 947996893 /nfs/dbraw/zinc/99/68/93/947996893.db2.gz PXRJRJOMKUZPJY-CQSZACIVSA-N 1 0 395.467 1.829 20 0 GDADRO C[C@@H](C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)C(F)(F)F ZINC001573663102 948032190 /nfs/dbraw/zinc/03/21/90/948032190.db2.gz IXKGLSRLHRIBBS-JTQLQIEISA-N 1 0 383.378 1.723 20 0 GDADRO Cc1onc(CC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826346725 948043523 /nfs/dbraw/zinc/04/35/23/948043523.db2.gz UMTVMCVCFCRBOV-SWLSCSKDSA-N 1 0 381.440 1.485 20 0 GDADRO Cc1onc(CC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1-c1nn[nH]n1 ZINC000826347075 948049509 /nfs/dbraw/zinc/04/95/09/948049509.db2.gz DJWXZLUVIAACFE-CQSZACIVSA-N 1 0 389.847 1.778 20 0 GDADRO C[C@H](C(=O)N[C@@]1(CO)CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573664639 948056896 /nfs/dbraw/zinc/05/68/96/948056896.db2.gz WBZVBOJFUCSNCX-XOBRGWDASA-N 1 0 384.484 1.356 20 0 GDADRO Cn1cc(CNC[C@H](O)C[NH+]2CCCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361447 948132192 /nfs/dbraw/zinc/13/21/92/948132192.db2.gz XNABZFWLXACUAI-SFHVURJKSA-N 1 0 396.499 1.204 20 0 GDADRO C[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573680240 948174809 /nfs/dbraw/zinc/17/48/09/948174809.db2.gz OWOGIDZYKGNZGL-UONOGXRCSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573681933 948217480 /nfs/dbraw/zinc/21/74/80/948217480.db2.gz ZHHHFKATVQCXJQ-DGCLKSJQSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC001573691073 948235077 /nfs/dbraw/zinc/23/50/77/948235077.db2.gz HIIOCDBLDLBGOH-DGCLKSJQSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)C1CCC1 ZINC001573692087 948255128 /nfs/dbraw/zinc/25/51/28/948255128.db2.gz LIAJAHXVYZIXET-CYBMUJFWSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cccs1 ZINC001573692296 948260457 /nfs/dbraw/zinc/26/04/57/948260457.db2.gz NYAVKKPKASNKHC-GXTWGEPZSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573703667 948357103 /nfs/dbraw/zinc/35/71/03/948357103.db2.gz LXXRUCNEUGJKQV-NEPJUHHUSA-N 1 0 379.415 1.886 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573703670 948357549 /nfs/dbraw/zinc/35/75/49/948357549.db2.gz LXXRUCNEUGJKQV-VXGBXAGGSA-N 1 0 379.415 1.886 20 0 GDADRO O=C1[C@H](N2CC[NH+](C3CCC3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477059 948386103 /nfs/dbraw/zinc/38/61/03/948386103.db2.gz UZMHHSDVPZBRGR-GOSISDBHSA-N 1 0 381.484 1.532 20 0 GDADRO C[C@@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573705510 948402727 /nfs/dbraw/zinc/40/27/27/948402727.db2.gz FSJWPGHHDMJXAX-CZUORRHYSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(F)(F)F ZINC001573706581 948421057 /nfs/dbraw/zinc/42/10/57/948421057.db2.gz JHYQEQPRPHYAPQ-ZMWSMAPVSA-N 1 0 386.353 1.966 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(NCc2nnc3n2CCC3)CC1 ZINC000826514176 948438484 /nfs/dbraw/zinc/43/84/84/948438484.db2.gz JNWPMOBTOISKOX-UHFFFAOYSA-N 1 0 379.472 1.159 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573709033 948465157 /nfs/dbraw/zinc/46/51/57/948465157.db2.gz ZKUCQNFLMPGKRP-GDBMZVCRSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@@H](C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573713654 948465181 /nfs/dbraw/zinc/46/51/81/948465181.db2.gz AUAIQDFLRZWFAS-NWDGAFQWSA-N 1 0 379.415 1.886 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCCO1 ZINC001573715261 948485805 /nfs/dbraw/zinc/48/58/05/948485805.db2.gz SBDRWVRHMJEXOS-LRDDRELGSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CCNC(=O)[C@H](C)n1cccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573718762 948518840 /nfs/dbraw/zinc/51/88/40/948518840.db2.gz RZIQHKYMGRCLLU-STQMWFEESA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001573727282 948553158 /nfs/dbraw/zinc/55/31/58/948553158.db2.gz LVZILBAHDOKGQJ-KJGCVMFHSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573746352 948678785 /nfs/dbraw/zinc/67/87/85/948678785.db2.gz IZHLGCMLYFANGD-QRTARXTBSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccn1 ZINC001573748842 948697917 /nfs/dbraw/zinc/69/79/17/948697917.db2.gz VOMDCQFKQJDIEK-TUKIKUTGSA-N 1 0 384.419 1.200 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573753403 948719519 /nfs/dbraw/zinc/71/95/19/948719519.db2.gz TVNOKADDCOKAHO-WCZJQEMASA-N 1 0 392.467 1.546 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574918411 948847739 /nfs/dbraw/zinc/84/77/39/948847739.db2.gz KOFHPYFCZRKMDH-CYBMUJFWSA-N 1 0 390.467 1.584 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574684263 948860385 /nfs/dbraw/zinc/86/03/85/948860385.db2.gz CPDQRYKJBXJTHR-VXGBXAGGSA-N 1 0 376.440 1.049 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573762714 948861749 /nfs/dbraw/zinc/86/17/49/948861749.db2.gz ZIDJHGMAGRPOTB-HNNXBMFYSA-N 1 0 391.479 1.922 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574919224 948871132 /nfs/dbraw/zinc/87/11/32/948871132.db2.gz WVHNXKQJZPXFHS-NSHDSACASA-N 1 0 380.884 1.198 20 0 GDADRO C[C@H](CNC(=O)CCCc1ccccn1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574919397 948877554 /nfs/dbraw/zinc/87/75/54/948877554.db2.gz YNOUUWOIJSDQLD-AWEZNQCLSA-N 1 0 380.456 1.266 20 0 GDADRO C[C@H](CNC(=O)CCc1nccs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920264 948895574 /nfs/dbraw/zinc/89/55/74/948895574.db2.gz HCOIMVGKEXAGAT-LLVKDONJSA-N 1 0 391.526 1.954 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574433358 948954076 /nfs/dbraw/zinc/95/40/76/948954076.db2.gz WBJCOAMUDMMBBU-WKILWMFISA-N 1 0 392.467 1.831 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001574688291 948959370 /nfs/dbraw/zinc/95/93/70/948959370.db2.gz SOXRVKVTAVIKSQ-ZDUSSCGKSA-N 1 0 390.467 1.584 20 0 GDADRO CC(C)c1nnsc1C(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574439252 949008725 /nfs/dbraw/zinc/00/87/25/949008725.db2.gz DPBBCLOKRDDKAM-JTQLQIEISA-N 1 0 387.473 1.491 20 0 GDADRO C[C@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575503223 949044939 /nfs/dbraw/zinc/04/49/39/949044939.db2.gz NSOKBHVXDVROSM-ZDUSSCGKSA-N 1 0 382.428 1.019 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCC1 ZINC001573779443 949061798 /nfs/dbraw/zinc/06/17/98/949061798.db2.gz IDTRBEDUQNWZOS-AWEZNQCLSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574929199 949081654 /nfs/dbraw/zinc/08/16/54/949081654.db2.gz ASHOPDUCXPVEFL-GFCCVEGCSA-N 1 0 391.451 1.033 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001574694717 949091236 /nfs/dbraw/zinc/09/12/36/949091236.db2.gz VFAWBYXFIWJAPP-FZMZJTMJSA-N 1 0 378.456 1.246 20 0 GDADRO CC(C)c1nocc1C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574442719 949098781 /nfs/dbraw/zinc/09/87/81/949098781.db2.gz RWKQHSHOQAMXKU-HNNXBMFYSA-N 1 0 382.428 1.416 20 0 GDADRO CC(C)c1nocc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574442740 949103378 /nfs/dbraw/zinc/10/33/78/949103378.db2.gz SSIBGWYRHMFINM-OAHLLOKOSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CCNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574695159 949104745 /nfs/dbraw/zinc/10/47/45/949104745.db2.gz CYWSIQDTMHSSDN-DTWKUNHWSA-N 1 0 384.897 1.235 20 0 GDADRO C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575511627 949135567 /nfs/dbraw/zinc/13/55/67/949135567.db2.gz KPJMKQACUKOXCQ-CXAGYDPISA-N 1 0 383.456 1.021 20 0 GDADRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001574094485 949139885 /nfs/dbraw/zinc/13/98/85/949139885.db2.gz WKCKKAXCYUQJFF-JKSUJKDBSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934089 949146955 /nfs/dbraw/zinc/14/69/55/949146955.db2.gz BRQPMWRZENJBGT-NSHDSACASA-N 1 0 387.831 1.333 20 0 GDADRO CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573783202 949146883 /nfs/dbraw/zinc/14/68/83/949146883.db2.gz XRJXKSSWEJBIEP-MGCOHNPYSA-N 1 0 383.378 1.579 20 0 GDADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575515640 949187936 /nfs/dbraw/zinc/18/79/36/949187936.db2.gz JKSUSWPDSXQVEK-WMLDXEAASA-N 1 0 392.467 1.625 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574935691 949205809 /nfs/dbraw/zinc/20/58/09/949205809.db2.gz FIUJYTSXSYBNHF-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO CC(C)c1oncc1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574451106 949218095 /nfs/dbraw/zinc/21/80/95/949218095.db2.gz CBOQDTDNZODXFB-UHFFFAOYSA-N 1 0 381.440 1.840 20 0 GDADRO C[C@@H](CNC(=O)Cc1cc(F)ccc1F)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574937309 949224382 /nfs/dbraw/zinc/22/43/82/949224382.db2.gz OCTAREHAAICPIN-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574937643 949227810 /nfs/dbraw/zinc/22/78/10/949227810.db2.gz OYOXWNFAARGKAE-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575517603 949233423 /nfs/dbraw/zinc/23/34/23/949233423.db2.gz XDDUCKGLACSWIM-CZUORRHYSA-N 1 0 383.456 1.321 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(C)CCOCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574703267 949320593 /nfs/dbraw/zinc/32/05/93/949320593.db2.gz UBSWVWBIJMIYMH-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)n1ccc(C(=O)NCC[C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001574458828 949352702 /nfs/dbraw/zinc/35/27/02/949352702.db2.gz ZKUROYNDEWUHDJ-AWEZNQCLSA-N 1 0 382.472 1.942 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)n1 ZINC001574459566 949359665 /nfs/dbraw/zinc/35/96/65/949359665.db2.gz JKOMMWLRPSZDJS-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001574459871 949369448 /nfs/dbraw/zinc/36/94/48/949369448.db2.gz NJXXXVURUCACHO-UHFFFAOYSA-N 1 0 383.460 1.365 20 0 GDADRO C[C@@H](NC(=O)C[C@](C)(O)C1CC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575262527 949378412 /nfs/dbraw/zinc/37/84/12/949378412.db2.gz BFZSJJSMVXWBPX-XCLFUZPHSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@@H]1CCCC[C@@]1(CNc1ncccc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001576155255 949389046 /nfs/dbraw/zinc/38/90/46/949389046.db2.gz HKVXHVWOPUBCQJ-KUHUBIRLSA-N 1 0 386.504 1.690 20 0 GDADRO CC(C)n1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001574464120 949397900 /nfs/dbraw/zinc/39/79/00/949397900.db2.gz FSEBSYQXIBQURI-OAHLLOKOSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)n1cccc1C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574464246 949403423 /nfs/dbraw/zinc/40/34/23/949403423.db2.gz HOMQGBGCBMBGGP-INIZCTEOSA-N 1 0 383.456 1.130 20 0 GDADRO C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575263849 949413029 /nfs/dbraw/zinc/41/30/29/949413029.db2.gz KGYXOOVKXFHXGA-ADLMAVQZSA-N 1 0 390.513 1.416 20 0 GDADRO CC(C)n1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001574464606 949421874 /nfs/dbraw/zinc/42/18/74/949421874.db2.gz OAEDYOBCHZTWGF-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574705823 949440398 /nfs/dbraw/zinc/44/03/98/949440398.db2.gz JLRMAANPFSMROY-FUJMWEONSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575265239 949445174 /nfs/dbraw/zinc/44/51/74/949445174.db2.gz SMKPNEQVBHSZEM-CABCVRRESA-N 1 0 386.500 1.744 20 0 GDADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001574468001 949453531 /nfs/dbraw/zinc/45/35/31/949453531.db2.gz CSKLOYHGISZILY-IRXDYDNUSA-N 1 0 382.472 1.952 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001575265554 949454298 /nfs/dbraw/zinc/45/42/98/949454298.db2.gz USQHFSMQBUPJBQ-KGLIPLIRSA-N 1 0 386.504 1.687 20 0 GDADRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573803938 949456831 /nfs/dbraw/zinc/45/68/31/949456831.db2.gz XVDUORFGAAZJKM-RHSMWYFYSA-N 1 0 386.500 1.774 20 0 GDADRO C[C@]1(C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575536135 949461902 /nfs/dbraw/zinc/46/19/02/949461902.db2.gz FWDLTOBBZNGLRU-FQEVSTJZSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCC1(F)F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574707236 949465840 /nfs/dbraw/zinc/46/58/40/949465840.db2.gz OEYIBIVKRVIXFQ-YGRLFVJLSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)n1nccc1C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574469457 949482349 /nfs/dbraw/zinc/48/23/49/949482349.db2.gz DQNDKDIFNDBUFS-UHFFFAOYSA-N 1 0 381.444 1.082 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001574708838 949496463 /nfs/dbraw/zinc/49/64/63/949496463.db2.gz XPAQXMURNFXKJV-AWEZNQCLSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574710937 949517718 /nfs/dbraw/zinc/51/77/18/949517718.db2.gz CGIHXZVBQMBQLH-KBXCAEBGSA-N 1 0 391.479 1.928 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575871842 949519710 /nfs/dbraw/zinc/51/97/10/949519710.db2.gz CJWPWTMMZUSEKD-XJKSGUPXSA-N 1 0 384.488 1.077 20 0 GDADRO CC(C)CC(=O)NCC[NH+]1CCC(Nc2ncc(-c3nn[nH]n3)cc2F)CC1 ZINC001574123016 949534595 /nfs/dbraw/zinc/53/45/95/949534595.db2.gz AZZPVGFLDQZKNX-UHFFFAOYSA-N 1 0 390.467 1.439 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574711509 949539905 /nfs/dbraw/zinc/53/99/05/949539905.db2.gz ICTCFOODIGXQQV-LBPRGKRZSA-N 1 0 375.452 1.606 20 0 GDADRO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574711520 949541062 /nfs/dbraw/zinc/54/10/62/949541062.db2.gz IISVXQIOJFKNBL-LLVKDONJSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1F)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001575269320 949547699 /nfs/dbraw/zinc/54/76/99/949547699.db2.gz UDLADNTZGOKCKI-NWDGAFQWSA-N 1 0 390.467 1.438 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576165310 949562744 /nfs/dbraw/zinc/56/27/44/949562744.db2.gz JIWWJKLUKWQIMD-CJNGLKHVSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576165397 949568198 /nfs/dbraw/zinc/56/81/98/949568198.db2.gz JZBWGZBSKIOFTE-BBRMVZONSA-N 1 0 375.477 1.452 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cncnc1 ZINC001573810616 949570329 /nfs/dbraw/zinc/57/03/29/949570329.db2.gz BATZXFWXRCYXMI-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575873259 949570483 /nfs/dbraw/zinc/57/04/83/949570483.db2.gz AJFKCHVDXSMAQG-CJNGLKHVSA-N 1 0 384.488 1.220 20 0 GDADRO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576165403 949570572 /nfs/dbraw/zinc/57/05/72/949570572.db2.gz JZBWGZBSKIOFTE-CZUORRHYSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001574475629 949573276 /nfs/dbraw/zinc/57/32/76/949573276.db2.gz BPPBBJKMCUYASM-TZMCWYRMSA-N 1 0 392.529 1.616 20 0 GDADRO C[C@H]1CCCC[C@H]1OCC[N@H+](C)CCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576166011 949575639 /nfs/dbraw/zinc/57/56/39/949575639.db2.gz KUGUJKLBMLAUCI-WMLDXEAASA-N 1 0 389.504 1.794 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575873856 949596450 /nfs/dbraw/zinc/59/64/50/949596450.db2.gz QPNLXFCOVBUKDR-KDOFPFPSSA-N 1 0 382.468 1.683 20 0 GDADRO CC(C)CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574127700 949616940 /nfs/dbraw/zinc/61/69/40/949616940.db2.gz JCWFSIGPFFIJAU-OAHLLOKOSA-N 1 0 392.479 1.645 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@@H]1CCOC1 ZINC001573812389 949617591 /nfs/dbraw/zinc/61/75/91/949617591.db2.gz RGKPIZTVWFWHRV-DOTOQJQBSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@H]1CCOC1 ZINC001573812274 949619066 /nfs/dbraw/zinc/61/90/66/949619066.db2.gz RDXYWCVNWNPSEZ-NVXWUHKLSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2CCOCC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575875107 949622117 /nfs/dbraw/zinc/62/21/17/949622117.db2.gz UYRCXSCBNMBJDJ-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)CC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574129732 949644606 /nfs/dbraw/zinc/64/46/06/949644606.db2.gz WJVJLINLSMEEBR-GFCCVEGCSA-N 1 0 380.518 1.567 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)CC(C)(C)C ZINC001574477453 949656968 /nfs/dbraw/zinc/65/69/68/949656968.db2.gz RHJVGMDTWOKMIS-KBPBESRZSA-N 1 0 389.504 1.377 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574958279 949662777 /nfs/dbraw/zinc/66/27/77/949662777.db2.gz ORNYFARRRUPSAW-KBPBESRZSA-N 1 0 381.440 1.206 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1c1ncc(-c2nn[nH]n2)cc1F ZINC001575877678 949666753 /nfs/dbraw/zinc/66/67/53/949666753.db2.gz MIFLJNLFUBBBTL-DOMZBBRYSA-N 1 0 390.467 1.216 20 0 GDADRO C[C@@H](CN(C)C(=O)CCCC[NH+]1CCCC1)Nc1ncccc1-c1nn[nH]n1 ZINC001574716985 949718253 /nfs/dbraw/zinc/71/82/53/949718253.db2.gz NGZJFHLOOXOZSC-HNNXBMFYSA-N 1 0 386.504 1.787 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574959818 949719817 /nfs/dbraw/zinc/71/98/17/949719817.db2.gz UONNHDWXNXPKKZ-KBRIMQKVSA-N 1 0 394.483 1.340 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H](C)n1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574717091 949723494 /nfs/dbraw/zinc/72/34/94/949723494.db2.gz UGJMTNWTTSTTAP-CHWSQXEVSA-N 1 0 388.501 1.713 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573818278 949727759 /nfs/dbraw/zinc/72/77/59/949727759.db2.gz JQYBDNQKPJQZRF-CQSZACIVSA-N 1 0 382.428 1.041 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573818248 949728711 /nfs/dbraw/zinc/72/87/11/949728711.db2.gz IZCFTJILNYUEFX-XJKSGUPXSA-N 1 0 387.488 1.586 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574717251 949728680 /nfs/dbraw/zinc/72/86/80/949728680.db2.gz OLINLXAVNNFNII-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cccc1 ZINC001573818449 949732302 /nfs/dbraw/zinc/73/23/02/949732302.db2.gz LQRIEOBONXWYTD-INIZCTEOSA-N 1 0 382.472 1.518 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574717385 949739513 /nfs/dbraw/zinc/73/95/13/949739513.db2.gz VNXOHTJVDSWNSW-SWLSCSKDSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1cnc(-c2nn[nH]n2)cn1 ZINC001576170925 949744485 /nfs/dbraw/zinc/74/44/85/949744485.db2.gz OJCHOFULFMBBIJ-HIFRSBDPSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@@]1(C(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CCCC2)CCOC1 ZINC001575558835 949745399 /nfs/dbraw/zinc/74/53/99/949745399.db2.gz SMSVKRRYTLTKNF-VQIMIIECSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@H](NC(=O)CCc1cn[nH]c1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575277304 949746154 /nfs/dbraw/zinc/74/61/54/949746154.db2.gz PVKMHAFGNMJDLV-NSHDSACASA-N 1 0 386.485 1.221 20 0 GDADRO C[C@]1(C(=O)N[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C2CC2)CCOC1 ZINC001575559125 949747068 /nfs/dbraw/zinc/74/70/68/949747068.db2.gz USIFLPMFNFUZFQ-APWZRJJASA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574480420 949749517 /nfs/dbraw/zinc/74/95/17/949749517.db2.gz IGYIEMYBERHLMQ-UONOGXRCSA-N 1 0 381.440 1.731 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@]1(C)CCOC1 ZINC001575559602 949758138 /nfs/dbraw/zinc/75/81/38/949758138.db2.gz WSNVVGCDBSWKBC-RDTXWAMCSA-N 1 0 392.529 1.975 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001575559599 949760031 /nfs/dbraw/zinc/76/00/31/949760031.db2.gz WSNVVGCDBSWKBC-KDOFPFPSSA-N 1 0 392.529 1.975 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575559684 949765170 /nfs/dbraw/zinc/76/51/70/949765170.db2.gz XWLQVVYDLWSANE-KXBFYZLASA-N 1 0 387.488 1.443 20 0 GDADRO C[C@H](NC(=O)CCc1ccccn1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575279525 949785388 /nfs/dbraw/zinc/78/53/88/949785388.db2.gz YNFGKUAANMABPB-HNNXBMFYSA-N 1 0 391.479 1.831 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574718507 949785395 /nfs/dbraw/zinc/78/53/95/949785395.db2.gz YIASLHHQFISELA-OCCSQVGLSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cn2cccn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575883152 949805453 /nfs/dbraw/zinc/80/54/53/949805453.db2.gz PVMVYFUFCSXRNJ-RHSMWYFYSA-N 1 0 380.456 1.233 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001574481954 949813406 /nfs/dbraw/zinc/81/34/06/949813406.db2.gz XXORCQYKAMAXPC-QWHCGFSZSA-N 1 0 386.485 1.467 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575281741 949815108 /nfs/dbraw/zinc/81/51/08/949815108.db2.gz AOWPSWZGRTUMNP-BDAKNGLRSA-N 1 0 386.913 1.622 20 0 GDADRO C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575282507 949838743 /nfs/dbraw/zinc/83/87/43/949838743.db2.gz CMDNNXNRMOSVSX-GHMZBOCLSA-N 1 0 376.440 1.190 20 0 GDADRO C[C@H](CNC(=O)c1c(C2CC2)cnn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574966311 949843499 /nfs/dbraw/zinc/84/34/99/949843499.db2.gz WYEBIBRCWJHIES-GFCCVEGCSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574966312 949846157 /nfs/dbraw/zinc/84/61/57/949846157.db2.gz WYEBIBRCWJHIES-LBPRGKRZSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574722950 949849688 /nfs/dbraw/zinc/84/96/88/949849688.db2.gz YPQXTQONZSWLGV-HNNXBMFYSA-N 1 0 386.504 1.787 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574484244 949870040 /nfs/dbraw/zinc/87/00/40/949870040.db2.gz WLJUKEKWDXYMCV-ZBFHGGJFSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574484318 949875499 /nfs/dbraw/zinc/87/54/99/949875499.db2.gz ZBBRBXLBWAZJFN-HIFRSBDPSA-N 1 0 378.440 1.285 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574484319 949877599 /nfs/dbraw/zinc/87/75/99/949877599.db2.gz ZBBRBXLBWAZJFN-UKRRQHHQSA-N 1 0 378.440 1.285 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001574484499 949881086 /nfs/dbraw/zinc/88/10/86/949881086.db2.gz HWPHYJRJUREJMU-HUUCEWRRSA-N 1 0 380.456 1.539 20 0 GDADRO CC(C)(C)/C=C\C(=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573826010 949901987 /nfs/dbraw/zinc/90/19/87/949901987.db2.gz DWESNQQPXNAKKG-BRLPQQTGSA-N 1 0 385.472 1.315 20 0 GDADRO C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575284858 949923369 /nfs/dbraw/zinc/92/33/69/949923369.db2.gz KNERDNDEJDDHJH-GHMZBOCLSA-N 1 0 378.868 1.316 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1cncnc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574726049 949926114 /nfs/dbraw/zinc/92/61/14/949926114.db2.gz XDSFGOVGPGAXJE-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cccnn2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576179953 949933599 /nfs/dbraw/zinc/93/35/99/949933599.db2.gz GCLDQABVERYZLY-KDOFPFPSSA-N 1 0 392.467 1.687 20 0 GDADRO CC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC(F)(F)C1 ZINC001575569843 949935737 /nfs/dbraw/zinc/93/57/37/949935737.db2.gz PAWXQXATFYVJBZ-AWEZNQCLSA-N 1 0 376.411 1.993 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001575285311 949942123 /nfs/dbraw/zinc/94/21/23/949942123.db2.gz MTLOHAMHSUFQAX-DTWKUNHWSA-N 1 0 386.913 1.622 20 0 GDADRO C[C@@H](CN(C)C(=O)COc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574727654 949977059 /nfs/dbraw/zinc/97/70/59/949977059.db2.gz WWCVGRVTWMSPRZ-AWEZNQCLSA-N 1 0 381.440 1.277 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC001575891021 949981532 /nfs/dbraw/zinc/98/15/32/949981532.db2.gz CSPXERIMANFPJP-PWSUYJOCSA-N 1 0 379.415 1.823 20 0 GDADRO C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575286764 949989149 /nfs/dbraw/zinc/98/91/49/949989149.db2.gz YQIOILSTEZECAF-GJZGRUSLSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574728492 949990916 /nfs/dbraw/zinc/99/09/16/949990916.db2.gz BKCDOGAPMGUFQK-NSHDSACASA-N 1 0 387.394 1.463 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574728475 949991741 /nfs/dbraw/zinc/99/17/41/949991741.db2.gz BDUUGIWDKNNMNT-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccon1 ZINC001574150265 950026410 /nfs/dbraw/zinc/02/64/10/950026410.db2.gz AVDJITUESSPEAI-CQSZACIVSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cn[nH]c1 ZINC001574150852 950041306 /nfs/dbraw/zinc/04/13/06/950041306.db2.gz FPYPGQPWSHNYAZ-AWEZNQCLSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1nnc[nH]1 ZINC001574150894 950044047 /nfs/dbraw/zinc/04/40/47/950044047.db2.gz GLURHOVEGMEUKQ-GFCCVEGCSA-N 1 0 387.423 1.058 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574731404 950049918 /nfs/dbraw/zinc/04/99/18/950049918.db2.gz DCBWWQBNEBPDGC-NQBHXWOUSA-N 1 0 392.895 1.514 20 0 GDADRO CC(C)C[C@H](C[NH2+][C@@H](C)c1cnccn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151016 950050932 /nfs/dbraw/zinc/05/09/32/950050932.db2.gz JLGWEBFFCYFCJJ-QWHCGFSZSA-N 1 0 383.460 1.480 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576182373 950051786 /nfs/dbraw/zinc/05/17/86/950051786.db2.gz ZHAOLZLTDVXRPD-NWDGAFQWSA-N 1 0 381.444 1.008 20 0 GDADRO C[C@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576182974 950077426 /nfs/dbraw/zinc/07/74/26/950077426.db2.gz OEVGIPNVRQISQZ-NWDGAFQWSA-N 1 0 379.415 1.625 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cocn1 ZINC001574151642 950087787 /nfs/dbraw/zinc/08/77/87/950087787.db2.gz WXJAZWRTOWAJFW-AWEZNQCLSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2ccn(C)c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575893935 950089974 /nfs/dbraw/zinc/08/99/74/950089974.db2.gz BVVHCMLBRCXOMR-KBXCAEBGSA-N 1 0 379.468 1.988 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnon1 ZINC001574151808 950094058 /nfs/dbraw/zinc/09/40/58/950094058.db2.gz YNNJKQHLMIPAMX-GFCCVEGCSA-N 1 0 388.407 1.323 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cc[nH]n2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576183725 950102287 /nfs/dbraw/zinc/10/22/87/950102287.db2.gz TWJYYXHWWANIQH-GUYCJALGSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)CCCOC1 ZINC001575582516 950114034 /nfs/dbraw/zinc/11/40/34/950114034.db2.gz FAOZLKRPBIOHDB-ACJLOTCBSA-N 1 0 390.513 1.826 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574734418 950132830 /nfs/dbraw/zinc/13/28/30/950132830.db2.gz MBELPQBDUMSROZ-UNJBNNCHSA-N 1 0 376.486 1.432 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574734260 950133098 /nfs/dbraw/zinc/13/30/98/950133098.db2.gz LLIVQJTYIZHLRB-XFKAJCMBSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCOc1cccc(Cl)c1 ZINC001574978134 950134819 /nfs/dbraw/zinc/13/48/19/950134819.db2.gz RCJYWMXHAWXXNN-LLVKDONJSA-N 1 0 389.847 1.635 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001574978348 950135531 /nfs/dbraw/zinc/13/55/31/950135531.db2.gz RYJZPQJVINKYSB-UONOGXRCSA-N 1 0 379.468 1.708 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575897684 950144706 /nfs/dbraw/zinc/14/47/06/950144706.db2.gz QBGCEPFIOCPECT-DYVFJYSZSA-N 1 0 380.456 1.383 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cncc(F)c1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574153934 950155563 /nfs/dbraw/zinc/15/55/63/950155563.db2.gz YCGXJTZDBWKPMJ-AWEZNQCLSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H](O)C1CCCCC1 ZINC001574737999 950164497 /nfs/dbraw/zinc/16/44/97/950164497.db2.gz AOZDXNVFIBIJSM-WBMJQRKESA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CCCOC1 ZINC001575584780 950179660 /nfs/dbraw/zinc/17/96/60/950179660.db2.gz SHWRDERQAWAQBF-OXJNMPFZSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1cnc[nH]1 ZINC001575899948 950187592 /nfs/dbraw/zinc/18/75/92/950187592.db2.gz BAGAXGDDYLVFPV-ZBEGNZNMSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2ncccn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575900129 950190016 /nfs/dbraw/zinc/19/00/16/950190016.db2.gz CJCBOSRUICQLSZ-CZUORRHYSA-N 1 0 378.440 1.440 20 0 GDADRO CC1CC[NH+](CC(=O)N(C)[C@H]2CCN(c3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576191346 950192845 /nfs/dbraw/zinc/19/28/45/950192845.db2.gz FMVZSSNTGHXIQN-HNNXBMFYSA-N 1 0 384.488 1.031 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573844477 950194624 /nfs/dbraw/zinc/19/46/24/950194624.db2.gz ICVKQTCXNLPHTM-IBGZPJMESA-N 1 0 389.504 1.842 20 0 GDADRO CC1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CCOCC1 ZINC001575585534 950197299 /nfs/dbraw/zinc/19/72/99/950197299.db2.gz AHGXGVURYWNDMT-MRXNPFEDSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576191739 950210877 /nfs/dbraw/zinc/21/08/77/950210877.db2.gz ICAWKKROIAQUBS-RHSMWYFYSA-N 1 0 392.467 1.545 20 0 GDADRO C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C[NH2+]Cc1cccnc1 ZINC001576191849 950212032 /nfs/dbraw/zinc/21/20/32/950212032.db2.gz KJPGEWRXHTXHTB-CZUORRHYSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccnnc1 ZINC001575901042 950214917 /nfs/dbraw/zinc/21/49/17/950214917.db2.gz KEWWEWOMWWEMFS-BDJLRTHQSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)CC(C)(C)C ZINC001574496545 950217116 /nfs/dbraw/zinc/21/71/16/950217116.db2.gz XFTKLAREMYZWBM-YOEHRIQHSA-N 1 0 388.516 1.896 20 0 GDADRO CC(C)(C)CCC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 ZINC001573845179 950221336 /nfs/dbraw/zinc/22/13/36/950221336.db2.gz UIBHXRFWLPHYDB-CQSZACIVSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@]1(C(=O)NCC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575586818 950224364 /nfs/dbraw/zinc/22/43/64/950224364.db2.gz KDNYNCAGCPLCJW-FQEVSTJZSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575587716 950234099 /nfs/dbraw/zinc/23/40/99/950234099.db2.gz NYGPLGYYUNUDAQ-OXQOHEQNSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574741210 950238330 /nfs/dbraw/zinc/23/83/30/950238330.db2.gz IHLADEBQZBEJDD-DWQUBVKVSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cnsn1 ZINC001575902463 950259305 /nfs/dbraw/zinc/25/93/05/950259305.db2.gz VHTRWLZLOOHSJQ-TVQRCGJNSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@H]1[C@@H]([NH2+]CCc2ccccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575902650 950263286 /nfs/dbraw/zinc/26/32/86/950263286.db2.gz WHKKEPXXDSASFA-LRDDRELGSA-N 1 0 383.431 1.769 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1ccoc1 ZINC001575902693 950268965 /nfs/dbraw/zinc/26/89/65/950268965.db2.gz WXRWSZGBPMDDAO-PXAZEXFGSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575902906 950272606 /nfs/dbraw/zinc/27/26/06/950272606.db2.gz YCYNSTOMWXSWCK-NHYWBVRUSA-N 1 0 384.419 1.512 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cncs1 ZINC001575904720 950281267 /nfs/dbraw/zinc/28/12/67/950281267.db2.gz AMCGVMLOYFYLTN-MWLCHTKSSA-N 1 0 375.483 1.778 20 0 GDADRO C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001574498828 950286643 /nfs/dbraw/zinc/28/66/43/950286643.db2.gz PZORIFUEKSLHKP-IAQYHMDHSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ccc(F)cn1 ZINC001575905471 950293509 /nfs/dbraw/zinc/29/35/09/950293509.db2.gz CWFFODZCLAIGSC-MLGOLLRUSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ccc(F)cn1 ZINC001575905472 950294685 /nfs/dbraw/zinc/29/46/85/950294685.db2.gz CWFFODZCLAIGSC-WBMJQRKESA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)COCC(F)F ZINC001575906032 950303455 /nfs/dbraw/zinc/30/34/55/950303455.db2.gz GBXPVCSXMRAVOB-ONGXEEELSA-N 1 0 386.428 1.289 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CC1OCCCO1 ZINC001575906594 950316610 /nfs/dbraw/zinc/31/66/10/950316610.db2.gz JOCRPGIZPCMMDL-CJNGLKHVSA-N 1 0 386.456 1.099 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906969 950319459 /nfs/dbraw/zinc/31/94/59/950319459.db2.gz LFXLUDWVRBSIPD-MEBBXXQBSA-N 1 0 387.394 1.866 20 0 GDADRO CC(C)C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574160230 950335802 /nfs/dbraw/zinc/33/58/02/950335802.db2.gz MNLMBBGEGJRUDE-JSGCOSHPSA-N 1 0 390.467 1.295 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001576196237 950352026 /nfs/dbraw/zinc/35/20/26/950352026.db2.gz BIZUQDLKFDAIRC-GDBMZVCRSA-N 1 0 384.488 1.031 20 0 GDADRO CC1CC[NH+](CC(=O)N2CC[C@@H](CNc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576196634 950363516 /nfs/dbraw/zinc/36/35/16/950363516.db2.gz FKVVYBLUTQCOSY-HNNXBMFYSA-N 1 0 384.488 1.254 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)CCNc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001576196914 950380044 /nfs/dbraw/zinc/38/00/44/950380044.db2.gz JABVXWNQICAPQD-NSHDSACASA-N 1 0 378.868 1.127 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(C2CC2)on1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574745316 950381246 /nfs/dbraw/zinc/38/12/46/950381246.db2.gz IGCZKTFITWRQIO-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)COC(C)(C)C ZINC001575909277 950389696 /nfs/dbraw/zinc/38/96/96/950389696.db2.gz YGSZJBSOYATVAR-WBMJQRKESA-N 1 0 390.463 1.900 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cnn2cc[nH]c12 ZINC001575909518 950400651 /nfs/dbraw/zinc/40/06/51/950400651.db2.gz HARDMBIWQPPVNT-WBMJQRKESA-N 1 0 391.439 1.235 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccccc1O ZINC001575909878 950407520 /nfs/dbraw/zinc/40/75/20/950407520.db2.gz ITENSGSMLATVTG-CXAGYDPISA-N 1 0 378.436 1.965 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575909894 950409822 /nfs/dbraw/zinc/40/98/22/950409822.db2.gz IUTKENXDJWIILX-CZUORRHYSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@@H](CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1ccnc1 ZINC001574503393 950411503 /nfs/dbraw/zinc/41/15/03/950411503.db2.gz VHPJVJOODBULRX-AWEZNQCLSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@@H]1C[C@@H](Nc2ncccc2-c2nn[nH]n2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198884 950412209 /nfs/dbraw/zinc/41/22/09/950412209.db2.gz WHDHKLNLTHCVFJ-HUUCEWRRSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCn1cccc1 ZINC001575910060 950412452 /nfs/dbraw/zinc/41/24/52/950412452.db2.gz JHGIYEGZJHPSQY-MAUKXSAKSA-N 1 0 379.468 1.838 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001576198903 950415857 /nfs/dbraw/zinc/41/58/57/950415857.db2.gz WITZCXAGLBPQAB-ZBFHGGJFSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@H](CC(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CCCO1 ZINC001574503695 950419667 /nfs/dbraw/zinc/41/96/67/950419667.db2.gz YTOAIVGAFTXQCW-CXAGYDPISA-N 1 0 390.463 1.807 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575597900 950424889 /nfs/dbraw/zinc/42/48/89/950424889.db2.gz ZTXBOOCHNLIRGS-KSMMKXTCSA-N 1 0 385.472 1.197 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001573860999 950430294 /nfs/dbraw/zinc/43/02/94/950430294.db2.gz OKHQNFRGJSXJJZ-HZPDHXFCSA-N 1 0 388.472 1.793 20 0 GDADRO C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576202876 950440706 /nfs/dbraw/zinc/44/07/06/950440706.db2.gz DNTTUZBGSWQQGL-KBPBESRZSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ccccc1O ZINC001575912910 950470017 /nfs/dbraw/zinc/47/00/17/950470017.db2.gz RNGJHTHDWOZSFX-CXAGYDPISA-N 1 0 378.436 1.965 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575913011 950472354 /nfs/dbraw/zinc/47/23/54/950472354.db2.gz SOKACGQZYLHLTH-BLLLJJGKSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc2cnccc2c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574752727 950494363 /nfs/dbraw/zinc/49/43/63/950494363.db2.gz FKIGBVKIIGOPGJ-ZDUSSCGKSA-N 1 0 388.435 1.804 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574994979 950497909 /nfs/dbraw/zinc/49/79/09/950497909.db2.gz BPDPFKSXLKCTRX-LLVKDONJSA-N 1 0 384.444 1.802 20 0 GDADRO C[C@H](C[C@H](C)Nc1ncccc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205165 950498097 /nfs/dbraw/zinc/49/80/97/950498097.db2.gz VVZNYADXXQJYQT-CABCVRRESA-N 1 0 386.504 1.689 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573866498 950507234 /nfs/dbraw/zinc/50/72/34/950507234.db2.gz DXFPEOXUWHUDMK-OAHLLOKOSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)(C)OCC(=O)N1CCCCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573866747 950510615 /nfs/dbraw/zinc/51/06/15/950510615.db2.gz KYFZGRCAOQNPSZ-AWEZNQCLSA-N 1 0 387.488 1.682 20 0 GDADRO CC(C)(C)OCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001573866913 950515337 /nfs/dbraw/zinc/51/53/37/950515337.db2.gz NPTIGOPVQIAEBF-UHFFFAOYSA-N 1 0 384.484 1.716 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573867259 950524000 /nfs/dbraw/zinc/52/40/00/950524000.db2.gz SDNLZWHJGPEYTL-HNNXBMFYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576205548 950524877 /nfs/dbraw/zinc/52/48/77/950524877.db2.gz ZZDGXWYKMUJHND-XJKCOSOUSA-N 1 0 387.463 1.606 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574509818 950531095 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GFYUHBSXCBZYFF-TZMCWYRMSA-N 1 0 375.452 1.749 20 0 GDADRO C[C@H](CNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576209221 950626336 /nfs/dbraw/zinc/62/63/36/950626336.db2.gz ZBBMWIOGYLKKJV-RKDXNWHRSA-N 1 0 384.897 1.235 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCCO1 ZINC001574515678 950627177 /nfs/dbraw/zinc/62/71/77/950627177.db2.gz DKCJAMQEMCHFMP-RUGDWHBFSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575923490 950660014 /nfs/dbraw/zinc/66/00/14/950660014.db2.gz BQJHYELMFZOKJM-BMIGLBTASA-N 1 0 385.378 1.677 20 0 GDADRO C[C@H](CNC(=O)c1cc(N(C)C)ccn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575002342 950661123 /nfs/dbraw/zinc/66/11/23/950661123.db2.gz SSFURYBWLBQVLQ-CYBMUJFWSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)no1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575002791 950666725 /nfs/dbraw/zinc/66/67/25/950666725.db2.gz WZCMITWFDIYLMN-JTQLQIEISA-N 1 0 375.820 1.758 20 0 GDADRO CC1(C)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]2CCC[N@H+](CCCF)[C@H]21 ZINC001575624899 950676557 /nfs/dbraw/zinc/67/65/57/950676557.db2.gz QEEZBQJZOGLZBE-NWANDNLSSA-N 1 0 375.452 1.773 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001574519369 950677989 /nfs/dbraw/zinc/67/79/89/950677989.db2.gz UEBJNKVPNADVOB-JHJVBQTASA-N 1 0 386.485 1.513 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCn1cccc1 ZINC001575925862 950694141 /nfs/dbraw/zinc/69/41/41/950694141.db2.gz VPLQLCXBMIFHDM-HOCLYGCPSA-N 1 0 380.456 1.367 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ncc(F)cc1F ZINC001575926357 950708128 /nfs/dbraw/zinc/70/81/28/950708128.db2.gz JLRTWDHUGCYSKH-RNCFNFMXSA-N 1 0 386.366 1.072 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576215744 950709532 /nfs/dbraw/zinc/70/95/32/950709532.db2.gz BKXOHAMKIMUNJD-AAEUAGOBSA-N 1 0 378.427 1.938 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926992 950731344 /nfs/dbraw/zinc/73/13/44/950731344.db2.gz NBVACXYTDAASFY-ZWNOBZJWSA-N 1 0 380.412 1.264 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnc2n1CCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574763844 950735375 /nfs/dbraw/zinc/73/53/75/950735375.db2.gz LZRJNFLQIQHMEP-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO CC1(C)CC(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575629545 950739645 /nfs/dbraw/zinc/73/96/45/950739645.db2.gz OZBMSBCJAQFULQ-CYBMUJFWSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575927709 950750326 /nfs/dbraw/zinc/75/03/26/950750326.db2.gz SLODXOHQCBSRTM-BLLLJJGKSA-N 1 0 381.415 1.467 20 0 GDADRO CC1(C)CC(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001575629939 950753486 /nfs/dbraw/zinc/75/34/86/950753486.db2.gz VLMOSEJDWDYFOE-IRXDYDNUSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575928035 950769774 /nfs/dbraw/zinc/76/97/74/950769774.db2.gz XUKPFEIASBLHBA-MLGOLLRUSA-N 1 0 391.435 1.334 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1ccon1 ZINC001574521402 950779467 /nfs/dbraw/zinc/77/94/67/950779467.db2.gz FWXNKSQDTRDCIL-NWDGAFQWSA-N 1 0 387.419 1.609 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575632478 950802876 /nfs/dbraw/zinc/80/28/76/950802876.db2.gz JACWTUIZXHWAGO-AWEZNQCLSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1CCOCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574523152 950807125 /nfs/dbraw/zinc/80/71/25/950807125.db2.gz MKEGDEDFDBXRPQ-OLZOCXBDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnsn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574766834 950829640 /nfs/dbraw/zinc/82/96/40/950829640.db2.gz MXHDCXHKVQHIHK-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574523906 950842725 /nfs/dbraw/zinc/84/27/25/950842725.db2.gz SBQGRGMXJIHAOT-RLBTWZHOSA-N 1 0 388.447 1.271 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CC1(O)CCC1 ZINC001574524812 950873371 /nfs/dbraw/zinc/87/33/71/950873371.db2.gz ZKNZQAIPPZIUKU-CHWSQXEVSA-N 1 0 390.463 1.684 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnns1 ZINC001574527906 950913455 /nfs/dbraw/zinc/91/34/55/950913455.db2.gz IKJASMPFJCUPJB-VHSXEESVSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574527949 950915663 /nfs/dbraw/zinc/91/56/63/950915663.db2.gz IWAIHYAFJZHICF-UWVGGRQHSA-N 1 0 388.457 1.111 20 0 GDADRO C[C@@H](C[N@H+](C)CCCCC1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771546 950926818 /nfs/dbraw/zinc/92/68/18/950926818.db2.gz GCQKOKRFSNUABY-AWEZNQCLSA-N 1 0 389.504 1.842 20 0 GDADRO C[C@@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574771829 950944672 /nfs/dbraw/zinc/94/46/72/950944672.db2.gz KYVOVNLMPIDBND-AWEZNQCLSA-N 1 0 389.504 1.984 20 0 GDADRO C[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576228756 950952407 /nfs/dbraw/zinc/95/24/07/950952407.db2.gz KQZJVDYCZLZXEI-WFASDCNBSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576228755 950954544 /nfs/dbraw/zinc/95/45/44/950954544.db2.gz KQZJVDYCZLZXEI-SWLSCSKDSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC1CCOCC1 ZINC001574772206 950965180 /nfs/dbraw/zinc/96/51/80/950965180.db2.gz RIGLNEJIYPHEQZ-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC1(F)F ZINC001574772504 950968802 /nfs/dbraw/zinc/96/88/02/950968802.db2.gz SYOQMKJZGZCHGG-IINYFYTJSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001575017028 950973325 /nfs/dbraw/zinc/97/33/25/950973325.db2.gz GGSXVTNUASUNSN-ZIAGYGMSSA-N 1 0 379.468 1.708 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574774600 951006536 /nfs/dbraw/zinc/00/65/36/951006536.db2.gz DOWPTGSWZYFHOB-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576230412 951007456 /nfs/dbraw/zinc/00/74/56/951007456.db2.gz RARREAIVVZTLTO-LRDDRELGSA-N 1 0 387.463 1.606 20 0 GDADRO C[C@H](CNC(=O)c1ccc(F)cn1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575024647 951110511 /nfs/dbraw/zinc/11/05/11/951110511.db2.gz JYQMBYPKNNCXCZ-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(F)cc1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575024842 951117244 /nfs/dbraw/zinc/11/72/44/951117244.db2.gz NPVHBIVANDGDQP-VIFPVBQESA-N 1 0 375.795 1.707 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)COC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025094 951125575 /nfs/dbraw/zinc/12/55/75/951125575.db2.gz UXNFWGCLWRQXET-LBPRGKRZSA-N 1 0 379.424 1.192 20 0 GDADRO C[C@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025375 951130615 /nfs/dbraw/zinc/13/06/15/951130615.db2.gz YOINTTQSYAFWKW-LLVKDONJSA-N 1 0 384.419 1.119 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1CCOC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575027600 951159905 /nfs/dbraw/zinc/15/99/05/951159905.db2.gz GYNVVVUDDZMPLT-AWEZNQCLSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1CCOC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575028523 951174872 /nfs/dbraw/zinc/17/48/72/951174872.db2.gz NOLCCPPZNUBQLL-CQSZACIVSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@H](CNC(=O)c1ccnn1C1CCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575035316 951274226 /nfs/dbraw/zinc/27/42/26/951274226.db2.gz WGZGPTIUNAWUTP-CYBMUJFWSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@@H](CNC(=O)c1cn2ccccc2n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575042705 951369906 /nfs/dbraw/zinc/36/99/06/951369906.db2.gz BATUFIWGYGXTNW-ZDUSSCGKSA-N 1 0 376.424 1.423 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044629 951416253 /nfs/dbraw/zinc/41/62/53/951416253.db2.gz SWPXSOMYUDLZRN-SNVBAGLBSA-N 1 0 384.469 1.850 20 0 GDADRO CC(C)c1ncncc1C(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575045373 951426145 /nfs/dbraw/zinc/42/61/45/951426145.db2.gz BBIXTEJAJPIPAX-ZDUSSCGKSA-N 1 0 380.456 1.688 20 0 GDADRO C[C@@H](CNC(=O)c1cnoc1C1CC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575054748 951496207 /nfs/dbraw/zinc/49/62/07/951496207.db2.gz KLOKGHXPAQHDMJ-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1coc(CC2CC2)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575056216 951518991 /nfs/dbraw/zinc/51/89/91/951518991.db2.gz GPJNKQFKJGANAZ-LBPRGKRZSA-N 1 0 381.440 1.715 20 0 GDADRO C[C@@H](CNC(=O)c1nccs1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575066101 951592777 /nfs/dbraw/zinc/59/27/77/951592777.db2.gz FHYJAPGTZUVBOV-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067389 951612248 /nfs/dbraw/zinc/61/22/48/951612248.db2.gz LKETZWIDAVCRKM-GFCCVEGCSA-N 1 0 383.460 1.121 20 0 GDADRO C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575067908 951625058 /nfs/dbraw/zinc/62/50/58/951625058.db2.gz RNZJUVNKLOCGLT-GFCCVEGCSA-N 1 0 383.460 1.121 20 0 GDADRO C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575067909 951625729 /nfs/dbraw/zinc/62/57/29/951625729.db2.gz RNZJUVNKLOCGLT-LBPRGKRZSA-N 1 0 383.460 1.121 20 0 GDADRO CC(C)c1nnsc1C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575068574 951636804 /nfs/dbraw/zinc/63/68/04/951636804.db2.gz BEOQFEVWKZFUSB-JTQLQIEISA-N 1 0 387.473 1.137 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575068572 951636854 /nfs/dbraw/zinc/63/68/54/951636854.db2.gz BEADFBSZIPXKHN-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1onc2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575070203 951650817 /nfs/dbraw/zinc/65/08/17/951650817.db2.gz PEXUZOOQCCCMNZ-JTQLQIEISA-N 1 0 387.469 1.703 20 0 GDADRO CC(C)c1nnsc1C(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575070690 951653471 /nfs/dbraw/zinc/65/34/71/951653471.db2.gz TYPLTPDYEBEEIG-NSHDSACASA-N 1 0 386.485 1.750 20 0 GDADRO C[C@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)c1cnon1)C1CC1 ZINC001575077075 951660845 /nfs/dbraw/zinc/66/08/45/951660845.db2.gz BRTQFXUKPFSNLO-QGZVFWFLSA-N 1 0 386.391 1.077 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001575077392 951667379 /nfs/dbraw/zinc/66/73/79/951667379.db2.gz CIBJZTUYRQWTKR-LLVKDONJSA-N 1 0 386.460 1.636 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)n1cccc1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077628 951673248 /nfs/dbraw/zinc/67/32/48/951673248.db2.gz HFLBFEMOCSLHKZ-KBPBESRZSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCC1(F)F)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078945 951686472 /nfs/dbraw/zinc/68/64/72/951686472.db2.gz OFFULVNFCPWIFD-HZMBPMFUSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cc1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575079267 951690060 /nfs/dbraw/zinc/69/00/60/951690060.db2.gz MWIULECUYZXRKL-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1cscn1 ZINC001575079300 951691389 /nfs/dbraw/zinc/69/13/89/951691389.db2.gz COXBSWTWFITGNP-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)[C@]1(C)CCCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079276 951691452 /nfs/dbraw/zinc/69/14/52/951691452.db2.gz MYKSLRJPUJNLSR-ORAYPTAESA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)CC1CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082265 951732766 /nfs/dbraw/zinc/73/27/66/951732766.db2.gz WSIWYPZRWQLTQF-ZDUSSCGKSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575082256 951732900 /nfs/dbraw/zinc/73/29/00/951732900.db2.gz WQMUYXRNRZFUHF-VIFPVBQESA-N 1 0 391.432 1.324 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575088657 951741411 /nfs/dbraw/zinc/74/14/11/951741411.db2.gz ADFGALQLUIFKNB-NHYWBVRUSA-N 1 0 382.440 1.958 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1cnsn1)C1CC1 ZINC001575089313 951747102 /nfs/dbraw/zinc/74/71/02/951747102.db2.gz FXDMVQASUIMIHD-KRWDZBQOSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1(O)CCC1 ZINC001575090664 951763406 /nfs/dbraw/zinc/76/34/06/951763406.db2.gz NBRBNGPEVMPSLQ-LBPRGKRZSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575090942 951765483 /nfs/dbraw/zinc/76/54/83/951765483.db2.gz OLVDUTXCOGPPHR-KUHUBIRLSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001575091017 951766984 /nfs/dbraw/zinc/76/69/84/951766984.db2.gz MWSDRQOSUSMLJN-LJQANCHMSA-N 1 0 384.484 1.546 20 0 GDADRO C[C@H](CNC(=O)c1cscn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091032 951766991 /nfs/dbraw/zinc/76/69/91/951766991.db2.gz OYMKOKSYSYFILU-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ncccc1F ZINC001575091519 951779093 /nfs/dbraw/zinc/77/90/93/951779093.db2.gz TYUBIFJIUIIUMP-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)CCC1CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091620 951780169 /nfs/dbraw/zinc/78/01/69/951780169.db2.gz SPQYWLAWSGBXEO-OAHLLOKOSA-N 1 0 386.500 1.915 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575091687 951782487 /nfs/dbraw/zinc/78/24/87/951782487.db2.gz UQOSAIOBUAMSDN-GXTWGEPZSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575091931 951787973 /nfs/dbraw/zinc/78/79/73/951787973.db2.gz ZEXMFWPTNHTQCV-CZUORRHYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092032 951788404 /nfs/dbraw/zinc/78/84/04/951788404.db2.gz YGKGHXHPHAPGRQ-CQSZACIVSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092582 951794551 /nfs/dbraw/zinc/79/45/51/951794551.db2.gz FNOYYECIYIHUOW-LBPRGKRZSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575095419 951811256 /nfs/dbraw/zinc/81/12/56/951811256.db2.gz SVLZCRRILIPFDD-KBXCAEBGSA-N 1 0 391.479 1.613 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2c1CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096029 951818190 /nfs/dbraw/zinc/81/81/90/951818190.db2.gz YNJJLMIPAQJWAP-CYBMUJFWSA-N 1 0 380.456 1.165 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001575098168 951821771 /nfs/dbraw/zinc/82/17/71/951821771.db2.gz BSFHSKRNFFBLRD-STQMWFEESA-N 1 0 388.501 1.713 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001575100910 951848859 /nfs/dbraw/zinc/84/88/59/951848859.db2.gz WORZPLBBCARMHQ-LBPRGKRZSA-N 1 0 388.501 1.861 20 0 GDADRO C[C@@H](CNC(=O)CCc1cscn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575101125 951854215 /nfs/dbraw/zinc/85/42/15/951854215.db2.gz ZVHQCIJUUSHLKQ-LLVKDONJSA-N 1 0 391.526 1.859 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001575101287 951855405 /nfs/dbraw/zinc/85/54/05/951855405.db2.gz BLIACDDVVJSBHW-JTQLQIEISA-N 1 0 386.485 1.390 20 0 GDADRO C[C@@H](CNC(=O)CCn1cccc1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103358 951875165 /nfs/dbraw/zinc/87/51/65/951875165.db2.gz SPGPSXUDWNHOMF-CQSZACIVSA-N 1 0 385.447 1.740 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(=O)[nH]1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103408 951876458 /nfs/dbraw/zinc/87/64/58/951876458.db2.gz TYVSXAXCRSVGRA-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](CNC(=O)C[C@H](C)n1cccn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105586 951896309 /nfs/dbraw/zinc/89/63/09/951896309.db2.gz KVPVUGUAXPNQAW-CABCVRRESA-N 1 0 382.472 1.556 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575105609 951896851 /nfs/dbraw/zinc/89/68/51/951896851.db2.gz LJSPBJGGHOQJEY-OXJNMPFZSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575106222 951902531 /nfs/dbraw/zinc/90/25/31/951902531.db2.gz RDVNSZDYXITSRN-MDRZDLKXSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001575106527 951905411 /nfs/dbraw/zinc/90/54/11/951905411.db2.gz RSMRCGMTRINTOG-NHAYFPRASA-N 1 0 382.468 1.134 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575107136 951913308 /nfs/dbraw/zinc/91/33/08/951913308.db2.gz ZTOGZUVDXWSSQA-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1cscn1 ZINC001575107146 951913384 /nfs/dbraw/zinc/91/33/84/951913384.db2.gz ZZCFWRHNRVWFPM-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575107359 951917894 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1.798 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115486 951964913 /nfs/dbraw/zinc/96/49/13/951964913.db2.gz XJSCUQGPYSLWIX-KBPBESRZSA-N 1 0 382.472 1.246 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001575117442 951980241 /nfs/dbraw/zinc/98/02/41/951980241.db2.gz NYCGLLQUUJWHFX-LBPRGKRZSA-N 1 0 385.476 1.302 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575144806 952172271 /nfs/dbraw/zinc/17/22/71/952172271.db2.gz LUXMRMNVXXSGOP-MRXNPFEDSA-N 1 0 388.819 1.336 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575145453 952184083 /nfs/dbraw/zinc/18/40/83/952184083.db2.gz XWMFTXIWAKEQFA-ORAYPTAESA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575146003 952190585 /nfs/dbraw/zinc/19/05/85/952190585.db2.gz FMTCWKVKNVXEGF-XHDPSFHLSA-N 1 0 381.415 1.421 20 0 GDADRO 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O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)c1ccccn1 ZINC001571117728 952484626 /nfs/dbraw/zinc/48/46/26/952484626.db2.gz PLIRKBIDJIQQTK-OSYLJGHBSA-N 1 0 375.436 1.370 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001575199783 952490985 /nfs/dbraw/zinc/49/09/85/952490985.db2.gz FLNRHPIOZOXRLU-VXGBXAGGSA-N 1 0 386.435 1.202 20 0 GDADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1cscn1 ZINC001571120827 952509866 /nfs/dbraw/zinc/50/98/66/952509866.db2.gz RLWXGNNDTBUOOL-JTQLQIEISA-N 1 0 375.483 1.637 20 0 GDADRO O=C(C1CC(F)(F)C1)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571120935 952511147 /nfs/dbraw/zinc/51/11/47/952511147.db2.gz USKAGRMWPMBWSA-OAHLLOKOSA-N 1 0 376.411 1.993 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@]2(C1)CCC[N@@H+](C/C=C/Cl)C2 ZINC001571120942 952511370 /nfs/dbraw/zinc/51/13/70/952511370.db2.gz SEQJEAYDGWJZRL-WAUBUAMCSA-N 1 0 375.864 1.875 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575202593 952514593 /nfs/dbraw/zinc/51/45/93/952514593.db2.gz WEIXIVWGFWYEHO-BPLDGKMQSA-N 1 0 380.456 1.205 20 0 GDADRO CS[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571121183 952516049 /nfs/dbraw/zinc/51/60/49/952516049.db2.gz XUOIJSOBBFXXRK-STQMWFEESA-N 1 0 375.502 1.606 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@H]1CCC(F)(F)C1 ZINC001571121293 952519524 /nfs/dbraw/zinc/51/95/24/952519524.db2.gz XUHAQLGUMZATGU-JSGCOSHPSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575207842 952535209 /nfs/dbraw/zinc/53/52/09/952535209.db2.gz TXEYVGWKXVHAFA-NEPJUHHUSA-N 1 0 388.501 1.135 20 0 GDADRO C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124799 952544922 /nfs/dbraw/zinc/54/49/22/952544922.db2.gz UWNIQWKLYAGWGN-ZYHUDNBSSA-N 1 0 377.399 1.235 20 0 GDADRO CC(F)(F)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575211371 952545467 /nfs/dbraw/zinc/54/54/67/952545467.db2.gz QAJJFAMRKDBWSB-LLVKDONJSA-N 1 0 382.390 1.989 20 0 GDADRO CCc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571126937 952547886 /nfs/dbraw/zinc/54/78/86/952547886.db2.gz AEKGSJGTPSQCDH-CALCHBBNSA-N 1 0 377.452 1.875 20 0 GDADRO CCc1ccnc(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571126970 952548183 /nfs/dbraw/zinc/54/81/83/952548183.db2.gz AXBFLPALWIGDGC-UHFFFAOYSA-N 1 0 377.452 1.686 20 0 GDADRO Cc1c(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)ccn1C ZINC001571127097 952550270 /nfs/dbraw/zinc/55/02/70/952550270.db2.gz FXIFGSDVWMIVJU-PIIMJCKOSA-N 1 0 377.452 1.374 20 0 GDADRO C[C@]12CN(C(=O)c3ccc[nH]3)C[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571127680 952559494 /nfs/dbraw/zinc/55/94/94/952559494.db2.gz LWQZUJOKFXRGQV-UZLBHIALSA-N 1 0 377.452 1.789 20 0 GDADRO 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Cc1cc(N2C[C@@H](C)[C@H](NC(=O)c3cnccc3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135302 952602668 /nfs/dbraw/zinc/60/26/68/952602668.db2.gz VMFAUVOMNVQSCU-MLGOLLRUSA-N 1 0 378.440 1.528 20 0 GDADRO Cc1cc(N2CCN(C(=O)Cc3cccnc3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135592 952605522 /nfs/dbraw/zinc/60/55/22/952605522.db2.gz YCEGWDLZDYUQQQ-UHFFFAOYSA-N 1 0 378.440 1.165 20 0 GDADRO O=C(c1ccccc1O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571136022 952611861 /nfs/dbraw/zinc/61/18/61/952611861.db2.gz KURVAPAQPUPSQK-OAHLLOKOSA-N 1 0 378.436 1.967 20 0 GDADRO Cc1nocc1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571142377 952641267 /nfs/dbraw/zinc/64/12/67/952641267.db2.gz SJKLPEJXDSXINY-DOTOQJQBSA-N 1 0 379.424 1.510 20 0 GDADRO COc1cc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)ccc1C ZINC001571142559 952643223 /nfs/dbraw/zinc/64/32/23/952643223.db2.gz XDDRVYWFKAIFPL-HDJSIYSDSA-N 1 0 379.424 1.374 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)c2ccccn2)C1 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QYBLXWLHUASZLC-JOCQHMNTSA-N 1 0 384.444 1.576 20 0 GDADRO Cc1ncsc1C(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571244537 953264324 /nfs/dbraw/zinc/26/43/24/953264324.db2.gz AKIPHOCAXBDGTA-KRWDZBQOSA-N 1 0 384.469 1.734 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571244553 953265276 /nfs/dbraw/zinc/26/52/76/953265276.db2.gz AOTXCIAPBAUZKX-DGCLKSJQSA-N 1 0 384.469 1.216 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3ccsn3)[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245099 953269858 /nfs/dbraw/zinc/26/98/58/953269858.db2.gz NRVLXFGQEZTSAY-NEPJUHHUSA-N 1 0 384.469 1.554 20 0 GDADRO COc1ccsc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571245734 953276217 /nfs/dbraw/zinc/27/62/17/953276217.db2.gz LLOXIVHFXVNAHI-CQSZACIVSA-N 1 0 384.465 1.941 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)[C@@H]2C)s1 ZINC001571245669 953276237 /nfs/dbraw/zinc/27/62/37/953276237.db2.gz YFFLPLBUHVFALB-GWCFXTLKSA-N 1 0 384.469 1.472 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571246308 953282701 /nfs/dbraw/zinc/28/27/01/953282701.db2.gz XTXCKTQQJJNXED-UDUPSFLGSA-N 1 0 384.459 1.988 20 0 GDADRO CN(C(=O)C[C@@H]1CCCO1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571247594 953283201 /nfs/dbraw/zinc/28/32/01/953283201.db2.gz ASYUOVKMMWWAJK-SFHVURJKSA-N 1 0 384.484 1.859 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnns1 ZINC001571247548 953283483 /nfs/dbraw/zinc/28/34/83/953283483.db2.gz ADYQZEMDHYOKLH-GXTWGEPZSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CN(C(=O)CC2CCC2)CCO1 ZINC001571247629 953284685 /nfs/dbraw/zinc/28/46/85/953284685.db2.gz BFXQYGBFNIWDQZ-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO Cc1ncc(C(=O)N2CCCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)s1 ZINC001571247803 953286482 /nfs/dbraw/zinc/28/64/82/953286482.db2.gz FKSCSDVGXDIFHN-LBPRGKRZSA-N 1 0 384.469 1.555 20 0 GDADRO O=C(N[C@H]1CC12CC[NH+](Cc1ccns1)CC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571247867 953287321 /nfs/dbraw/zinc/28/73/21/953287321.db2.gz GTZYMNFTRCLSKO-AWEZNQCLSA-N 1 0 384.469 1.436 20 0 GDADRO O=C(c1cnc2n1CCC2)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571248000 953288803 /nfs/dbraw/zinc/28/88/03/953288803.db2.gz KTPHTXNJYUCQKA-NSHDSACASA-N 1 0 384.469 1.075 20 0 GDADRO COC1CC(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248237 953291754 /nfs/dbraw/zinc/29/17/54/953291754.db2.gz OKXHSMBHGINMOJ-AQFXKWCLSA-N 1 0 384.484 1.715 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1)c1csnn1 ZINC001571248457 953293384 /nfs/dbraw/zinc/29/33/84/953293384.db2.gz UQBVCUUGBPSNBW-CQSZACIVSA-N 1 0 384.469 1.503 20 0 GDADRO CC(=O)N1CCC(CO[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001571248486 953294720 /nfs/dbraw/zinc/29/47/20/953294720.db2.gz VMSPLQUTUFSUDI-IBGZPJMESA-N 1 0 384.484 1.716 20 0 GDADRO C[C@@H](CC(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571248702 953295862 /nfs/dbraw/zinc/29/58/62/953295862.db2.gz YBIXQKNEFOOKGO-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO CCN(C(=O)[C@@H]1CCCCO1)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248775 953297331 /nfs/dbraw/zinc/29/73/31/953297331.db2.gz ZRHXAAVJZRTVJU-AEFFLSMTSA-N 1 0 384.484 1.859 20 0 GDADRO Cc1conc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571248832 953297996 /nfs/dbraw/zinc/29/79/96/953297996.db2.gz JUCDUKNMBQEVSD-JSGCOSHPSA-N 1 0 384.444 1.570 20 0 GDADRO CC[C@H](C(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]21)[NH+](C)C ZINC001571249051 953300519 /nfs/dbraw/zinc/30/05/19/953300519.db2.gz BUUXIBXGIMLKTP-ARFHVFGLSA-N 1 0 384.488 1.029 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001571249193 953301442 /nfs/dbraw/zinc/30/14/42/953301442.db2.gz FPHAJRNETVSCCK-CZUORRHYSA-N 1 0 384.488 1.077 20 0 GDADRO Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)o1 ZINC001571249332 953303622 /nfs/dbraw/zinc/30/36/22/953303622.db2.gz OOAKHDHXFKMEAQ-MQMHXKEQSA-N 1 0 384.444 1.570 20 0 GDADRO C[C@@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001571249921 953307900 /nfs/dbraw/zinc/30/79/00/953307900.db2.gz MTCSRQMRXPVJNU-UKRRQHHQSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001571251394 953316238 /nfs/dbraw/zinc/31/62/38/953316238.db2.gz XAHXLNPYCDNJNX-XJKSGUPXSA-N 1 0 384.488 1.395 20 0 GDADRO Cc1cnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571251321 953316289 /nfs/dbraw/zinc/31/62/89/953316289.db2.gz UDPJOOCAXAZHRH-JHJVBQTASA-N 1 0 384.444 1.883 20 0 GDADRO Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571251856 953320389 /nfs/dbraw/zinc/32/03/89/953320389.db2.gz BFMFWTNQTKZCQV-GOEBONIOSA-N 1 0 384.488 1.092 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)(Nc3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001571252035 953322757 /nfs/dbraw/zinc/32/27/57/953322757.db2.gz FVERGUSJPBHEHW-CQSZACIVSA-N 1 0 384.488 1.397 20 0 GDADRO Cc1nc(N[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)ccc1-c1nn[nH]n1 ZINC001571252526 953329417 /nfs/dbraw/zinc/32/94/17/953329417.db2.gz ONWMFYQSJFQXCI-HNNXBMFYSA-N 1 0 384.488 1.315 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001571252713 953332210 /nfs/dbraw/zinc/33/22/10/953332210.db2.gz URZVSORVYQEMEK-HOCLYGCPSA-N 1 0 384.488 1.221 20 0 GDADRO Cc1nc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)co1 ZINC001571254653 953340901 /nfs/dbraw/zinc/34/09/01/953340901.db2.gz HPONXSABOFGEEB-ZDUSSCGKSA-N 1 0 385.403 1.649 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1c(F)cncc1F ZINC001571255053 953345176 /nfs/dbraw/zinc/34/51/76/953345176.db2.gz GYGXQGMMRBSYQG-ZDUSSCGKSA-N 1 0 385.378 1.544 20 0 GDADRO Cc1ncoc1C(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571255708 953353490 /nfs/dbraw/zinc/35/34/90/953353490.db2.gz SLVXEMNHYDKETL-AWEZNQCLSA-N 1 0 385.403 1.697 20 0 GDADRO Cc1cc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571256344 953370837 /nfs/dbraw/zinc/37/08/37/953370837.db2.gz VKTSCNWWLBXIEG-UHFFFAOYSA-N 1 0 385.378 1.811 20 0 GDADRO CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC1 ZINC001593702066 954127173 /nfs/dbraw/zinc/12/71/73/954127173.db2.gz RDLTVUUDGRLEHV-SFHVURJKSA-N 1 0 392.544 1.944 20 0 GDADRO C[NH+]1CCC(OCC(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001526712610 962880013 /nfs/dbraw/zinc/88/00/13/962880013.db2.gz YQNWWGCGVIENKX-OAQYLSRUSA-N 1 0 389.496 1.333 20 0 GDADRO C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C)CC4)CC1 ZINC000910172779 981771652 /nfs/dbraw/zinc/77/16/52/981771652.db2.gz FMFTZENKSFYSQY-CQSZACIVSA-N 1 0 384.480 1.777 20 0 GDADRO O=C([O-])c1nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000911323413 982347040 /nfs/dbraw/zinc/34/70/40/982347040.db2.gz JTECOWIJEPVCIE-UHFFFAOYSA-N 1 0 375.454 1.178 20 0 GDADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001596277266 983697798 /nfs/dbraw/zinc/69/77/98/983697798.db2.gz DMDIFJSYMVJWQV-SFHVURJKSA-N 1 0 376.501 1.686 20 0 GDADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]([NH3+])CCC(=O)[O-])CC1 ZINC001596442563 984138274 /nfs/dbraw/zinc/13/82/74/984138274.db2.gz XTDYNQNOYFTYNI-XJKSGUPXSA-N 1 0 380.464 1.337 20 0 GDADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001594542078 986177694 /nfs/dbraw/zinc/17/76/94/986177694.db2.gz CGEFBZUJQHKEBT-WMZOPIPTSA-N 1 0 388.512 1.697 20 0 GDADRO CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001589623558 987515036 /nfs/dbraw/zinc/51/50/36/987515036.db2.gz LXYHTORASIETED-KRWDZBQOSA-N 1 0 380.533 1.974 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)CC1 ZINC001591616792 992871952 /nfs/dbraw/zinc/87/19/52/992871952.db2.gz MRNWCKMTVQMPFD-RBUKOAKNSA-N 1 0 389.496 1.481 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC1 ZINC001598574492 993253510 /nfs/dbraw/zinc/25/35/10/993253510.db2.gz JSUPELVOSRWYFO-UHFFFAOYSA-N 1 0 387.484 1.277 20 0 GDADRO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001598617587 993920066 /nfs/dbraw/zinc/92/00/66/993920066.db2.gz XLEMAOCTMMGWNL-UHFFFAOYSA-N 1 0 377.382 1.979 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC001593229823 994352438 /nfs/dbraw/zinc/35/24/38/994352438.db2.gz BJWSRJIBPPDRLQ-CQSZACIVSA-N 1 0 375.469 1.544 20 0 GDADRO CC1(C)C[NH+](Cc2c(C[N@@H+]3C[C@@H](O)C(C)(C)C3)cccc2C(=O)[O-])C[C@@H]1O ZINC001593942961 996976905 /nfs/dbraw/zinc/97/69/05/996976905.db2.gz XEXFXRCKJGAWOW-MSOLQXFVSA-N 1 0 376.497 1.790 20 0 GDADRO COCc1ccccc1/C=C(/C)C[N@H+](CCN1CC[NH+](C)CC1)CC(=O)[O-] ZINC001599297201 997165996 /nfs/dbraw/zinc/16/59/96/997165996.db2.gz HDSBCMYWCJIRTJ-JXAWBTAJSA-N 1 0 375.513 1.870 20 0 GDADRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)n1C ZINC000873192544 1126120450 /nfs/dbraw/zinc/12/04/50/1126120450.db2.gz GWHRDEOYYFMOEE-FQEVSTJZSA-N 1 0 376.453 1.912 20 0 GDADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC001179278720 1126152064 /nfs/dbraw/zinc/15/20/64/1126152064.db2.gz YGSBKFJZIVAKFD-GOSISDBHSA-N 1 0 382.457 1.565 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC001560580098 1126213453 /nfs/dbraw/zinc/21/34/53/1126213453.db2.gz KLTHOYCDNAMBHT-IBGZPJMESA-N 1 0 394.493 1.435 20 0 GDADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H](O)COCc1cccs1 ZINC000158315597 530531130 /nfs/dbraw/zinc/53/11/30/530531130.db2.gz LXTLNLYSUUVBOQ-ZFWWWQNUSA-N 1 0 384.523 1.966 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000158432487 530532997 /nfs/dbraw/zinc/53/29/97/530532997.db2.gz HTBCOEHRCJGTFP-AWEZNQCLSA-N 1 0 388.559 1.508 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000158976928 530538270 /nfs/dbraw/zinc/53/82/70/530538270.db2.gz OBBYMXCDUZWWOU-LBPRGKRZSA-N 1 0 382.404 1.710 20 0 GDADRO O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159123769 530539663 /nfs/dbraw/zinc/53/96/63/530539663.db2.gz MUXIJONFACLNCP-KRWDZBQOSA-N 1 0 383.539 1.748 20 0 GDADRO CC[NH+]1CCC(NC(=O)NCCNS(=O)(=O)c2cc(C)sc2C)CC1 ZINC000159088591 530540011 /nfs/dbraw/zinc/54/00/11/530540011.db2.gz BSGMHYLQXSJJKY-UHFFFAOYSA-N 1 0 388.559 1.427 20 0 GDADRO C[C@H]1C[C@H](NC(=O)NCCN(C)S(=O)(=O)c2cccs2)C[N@@H+]1C1CC1 ZINC000159178190 530540423 /nfs/dbraw/zinc/54/04/23/530540423.db2.gz KRMHNTDVLFGPMN-STQMWFEESA-N 1 0 386.543 1.293 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@@H](C[NH3+])C2CC2)c1F ZINC000159196226 530541382 /nfs/dbraw/zinc/54/13/82/530541382.db2.gz FDTKPMWSXBMYID-JTQLQIEISA-N 1 0 379.251 1.459 20 0 GDADRO CC(=O)NC1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000161677395 530562728 /nfs/dbraw/zinc/56/27/28/530562728.db2.gz SXDMRUKJMJGYOF-UHFFFAOYSA-N 1 0 379.935 1.717 20 0 GDADRO CC(C)[C@H](CCO)[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000161867565 530564655 /nfs/dbraw/zinc/56/46/55/530564655.db2.gz BIOHPMZXIXWOEQ-ZBFHGGJFSA-N 1 0 388.555 1.260 20 0 GDADRO CN1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@@H](C[NH3+])C1 ZINC000162313039 530567114 /nfs/dbraw/zinc/56/71/14/530567114.db2.gz ZXEXSYFJPHEOAI-HNNXBMFYSA-N 1 0 378.274 1.350 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000162947252 530572456 /nfs/dbraw/zinc/57/24/56/530572456.db2.gz IPPMNVISQCMCAG-VIFPVBQESA-N 1 0 398.348 1.423 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000163078705 530572731 /nfs/dbraw/zinc/57/27/31/530572731.db2.gz LWIUUEJMSHMBSQ-SMDDNHRTSA-N 1 0 391.331 1.648 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(I)c(F)c2)CCO1 ZINC000163261496 530574610 /nfs/dbraw/zinc/57/46/10/530574610.db2.gz ZUOMNGBHQSGNQG-PELKAZGASA-N 1 0 378.185 1.619 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000163979022 530578713 /nfs/dbraw/zinc/57/87/13/530578713.db2.gz TZBSMSKLRARDPI-UHFFFAOYSA-N 1 0 395.257 1.966 20 0 GDADRO CCC[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)nc2)CCN1CCOC ZINC000166010392 530581752 /nfs/dbraw/zinc/58/17/52/530581752.db2.gz SYHNMBHIQBLHKE-HNNXBMFYSA-N 1 0 375.922 1.998 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000170867789 530590129 /nfs/dbraw/zinc/59/01/29/530590129.db2.gz QODGATUJVQPWAV-CMPLNLGQSA-N 1 0 394.269 1.596 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000170867792 530590149 /nfs/dbraw/zinc/59/01/49/530590149.db2.gz QODGATUJVQPWAV-ZYHUDNBSSA-N 1 0 394.269 1.596 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000170856306 530590154 /nfs/dbraw/zinc/59/01/54/530590154.db2.gz GZISCMMGROEENL-LBPRGKRZSA-N 1 0 394.269 1.598 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000170855906 530590394 /nfs/dbraw/zinc/59/03/94/530590394.db2.gz SYWPTKJGLYAIPJ-NSHDSACASA-N 1 0 380.242 1.208 20 0 GDADRO Cn1cc(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000171206839 530595594 /nfs/dbraw/zinc/59/55/94/530595594.db2.gz GVHNYZHNNJWMAV-UHFFFAOYSA-N 1 0 393.285 1.956 20 0 GDADRO O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171443754 530599158 /nfs/dbraw/zinc/59/91/58/530599158.db2.gz YHAXPUQRZXWZKF-CQSZACIVSA-N 1 0 383.539 1.843 20 0 GDADRO O=C(CSCc1cc(=O)n2ccsc2n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171442759 530599303 /nfs/dbraw/zinc/59/93/03/530599303.db2.gz MFQFLHPIEAQILW-AWEZNQCLSA-N 1 0 378.523 1.686 20 0 GDADRO C[N@H+](CCCNC(=O)CNS(=O)(=O)c1cccs1)Cc1ccccc1 ZINC000032766079 530609353 /nfs/dbraw/zinc/60/93/53/530609353.db2.gz UUXZHXJJPYMATF-UHFFFAOYSA-N 1 0 381.523 1.665 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172418998 530613431 /nfs/dbraw/zinc/61/34/31/530613431.db2.gz BLWRIAUDBNAZPB-UHFFFAOYSA-N 1 0 393.289 1.977 20 0 GDADRO CCS(=O)(=O)N1CCC(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000026310871 530584739 /nfs/dbraw/zinc/58/47/39/530584739.db2.gz UUPOHVGMRXFEEK-CQSZACIVSA-N 1 0 388.559 1.464 20 0 GDADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173216098 530626047 /nfs/dbraw/zinc/62/60/47/530626047.db2.gz JDAXMGIWMQTWAZ-LBPRGKRZSA-N 1 0 382.233 1.999 20 0 GDADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173210851 530626092 /nfs/dbraw/zinc/62/60/92/530626092.db2.gz JERRBVNBZFFRFM-GFCCVEGCSA-N 1 0 382.233 1.999 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@@H](C)O1 ZINC000042169461 530627668 /nfs/dbraw/zinc/62/76/68/530627668.db2.gz GWBVMFDQNTYZKL-HUUCEWRRSA-N 1 0 377.576 1.292 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000174136843 530643855 /nfs/dbraw/zinc/64/38/55/530643855.db2.gz PKUQKQZUULGIEE-CABCVRRESA-N 1 0 385.555 1.844 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000173618456 530633453 /nfs/dbraw/zinc/63/34/53/530633453.db2.gz RURDELPIPNASKP-CYBMUJFWSA-N 1 0 388.559 1.672 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000174656813 530652445 /nfs/dbraw/zinc/65/24/45/530652445.db2.gz CXDZWOQRDLCMKX-ZDUSSCGKSA-N 1 0 375.922 1.855 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000175083686 530658806 /nfs/dbraw/zinc/65/88/06/530658806.db2.gz LFVMBZXXJGWTSU-NEPJUHHUSA-N 1 0 394.946 1.895 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000047962057 530664185 /nfs/dbraw/zinc/66/41/85/530664185.db2.gz KRNORFSXUGXKNL-UHFFFAOYSA-N 1 0 397.317 1.450 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC000048005168 530664861 /nfs/dbraw/zinc/66/48/61/530664861.db2.gz ZERZAXMENXBECP-CHWSQXEVSA-N 1 0 388.559 1.563 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000049047996 530672153 /nfs/dbraw/zinc/67/21/53/530672153.db2.gz DECJOEQTENHUJX-OAHLLOKOSA-N 1 0 398.301 1.861 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000049278040 530672944 /nfs/dbraw/zinc/67/29/44/530672944.db2.gz OKBQMWJAHMFSOB-UHFFFAOYSA-N 1 0 383.290 1.141 20 0 GDADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000176224900 530679578 /nfs/dbraw/zinc/67/95/78/530679578.db2.gz GDMZYOKSLCHLON-UHFFFAOYSA-N 1 0 393.200 1.437 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000055901665 530713059 /nfs/dbraw/zinc/71/30/59/530713059.db2.gz NPCIHQLOGMGMHG-OAHLLOKOSA-N 1 0 385.555 1.427 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000177947200 530713563 /nfs/dbraw/zinc/71/35/63/530713563.db2.gz JFFFPPLPWPVTJU-OAHLLOKOSA-N 1 0 388.306 1.750 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1[nH]nc2ccc(Br)cc21 ZINC000178508068 530721582 /nfs/dbraw/zinc/72/15/82/530721582.db2.gz BDNYUCODAAIPFZ-GFCCVEGCSA-N 1 0 381.274 1.902 20 0 GDADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000056203791 530718043 /nfs/dbraw/zinc/71/80/43/530718043.db2.gz AMEWLOSKRNNLDS-LBPRGKRZSA-N 1 0 398.301 1.931 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c(c(Br)c1)OCO2)C[NH+]1CCN(C)CC1 ZINC000056984206 530722128 /nfs/dbraw/zinc/72/21/28/530722128.db2.gz KTTOTDDZKCRCGZ-LBPRGKRZSA-N 1 0 398.301 1.791 20 0 GDADRO C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)[N@H+](C)C1CC1 ZINC000057721871 530727428 /nfs/dbraw/zinc/72/74/28/530727428.db2.gz FVQMVYMJUCPFMW-JTQLQIEISA-N 1 0 379.935 1.621 20 0 GDADRO O[C@@H](COc1ccc(Br)cc1)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000057942218 530730250 /nfs/dbraw/zinc/73/02/50/530730250.db2.gz ZITYHVWJMAHQBV-SJLPKXTDSA-N 1 0 399.329 1.985 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000179013683 530733451 /nfs/dbraw/zinc/73/34/51/530733451.db2.gz JKQPEUSNCYYAJD-OLZOCXBDSA-N 1 0 380.286 1.870 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000179021369 530733467 /nfs/dbraw/zinc/73/34/67/530733467.db2.gz KZKMKWBHOHXAEE-NSHDSACASA-N 1 0 379.404 1.052 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000063091017 530744576 /nfs/dbraw/zinc/74/45/76/530744576.db2.gz DICWTWOBVJPNHZ-UHFFFAOYSA-N 1 0 375.441 1.140 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](CCO)CC1CC1 ZINC000064516782 530750954 /nfs/dbraw/zinc/75/09/54/530750954.db2.gz PFLIMEDFAVWIQY-UHFFFAOYSA-N 1 0 385.302 1.991 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(Cl)ccc2SC)CC1 ZINC000064588033 530751768 /nfs/dbraw/zinc/75/17/68/530751768.db2.gz HQRQMFMSGKRXRC-UHFFFAOYSA-N 1 0 384.933 1.754 20 0 GDADRO CC[NH+]1CCC(CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000064657312 530752049 /nfs/dbraw/zinc/75/20/49/530752049.db2.gz PEXZCKQPUPPGMB-UHFFFAOYSA-N 1 0 387.933 1.857 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000179873288 530752502 /nfs/dbraw/zinc/75/25/02/530752502.db2.gz IGDUOZWYFHKPKB-UHFFFAOYSA-N 1 0 375.803 1.784 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cnn2cc(Br)cnc12 ZINC000179876976 530752589 /nfs/dbraw/zinc/75/25/89/530752589.db2.gz CDCCMSODYYZJOH-ZDUSSCGKSA-N 1 0 396.289 1.459 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000065974688 530757860 /nfs/dbraw/zinc/75/78/60/530757860.db2.gz ISUCNEDOPIHGSF-UHFFFAOYSA-N 1 0 375.441 1.043 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000180198952 530760283 /nfs/dbraw/zinc/76/02/83/530760283.db2.gz FUYJUFWINMPWPP-CYBMUJFWSA-N 1 0 399.282 1.188 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cs1 ZINC000063685169 530746417 /nfs/dbraw/zinc/74/64/17/530746417.db2.gz ZVMCJVXJXKYEEL-UHFFFAOYSA-N 1 0 379.507 1.574 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000180768578 530771425 /nfs/dbraw/zinc/77/14/25/530771425.db2.gz WRTMKBGTYMRBEU-MFKMUULPSA-N 1 0 379.404 1.872 20 0 GDADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000180764706 530771545 /nfs/dbraw/zinc/77/15/45/530771545.db2.gz WFVBLBMUXWXTMM-ZWNOBZJWSA-N 1 0 379.404 1.409 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000180865600 530772736 /nfs/dbraw/zinc/77/27/36/530772736.db2.gz BLOJIJMJHUSMSR-CYBMUJFWSA-N 1 0 399.738 1.835 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000067118795 530773263 /nfs/dbraw/zinc/77/32/63/530773263.db2.gz KLIRCQNSTJYTAO-CQSZACIVSA-N 1 0 389.543 1.235 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cn2)cc1 ZINC000181054482 530776866 /nfs/dbraw/zinc/77/68/66/530776866.db2.gz YVRUUEOTYBYSLY-NSHDSACASA-N 1 0 382.873 1.932 20 0 GDADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000181270570 530781180 /nfs/dbraw/zinc/78/11/80/530781180.db2.gz AGJKTIKIKZSCJX-ZDUSSCGKSA-N 1 0 386.539 1.697 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)[C@H](C)C1 ZINC000181453386 530783351 /nfs/dbraw/zinc/78/33/51/530783351.db2.gz DIYWRXRQHHAINQ-QMTHXVAHSA-N 1 0 391.896 1.929 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000181448462 530783723 /nfs/dbraw/zinc/78/37/23/530783723.db2.gz AUPXQUAUALWHRJ-LLVKDONJSA-N 1 0 399.289 1.077 20 0 GDADRO C[C@H]1CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)C[C@H](C)O1 ZINC000069870368 530799838 /nfs/dbraw/zinc/79/98/38/530799838.db2.gz VFPAGUUOGTZTBC-HOTGVXAUSA-N 1 0 391.603 1.682 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071038889 530803778 /nfs/dbraw/zinc/80/37/78/530803778.db2.gz YNEYRRRLKWLVSR-CYBMUJFWSA-N 1 0 383.499 1.267 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCNc1cccc(Br)c1 ZINC000182742586 530804267 /nfs/dbraw/zinc/80/42/67/530804267.db2.gz LQOZGFQUTACQTH-AWEZNQCLSA-N 1 0 398.349 1.796 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cnc1Br ZINC000182807740 530804798 /nfs/dbraw/zinc/80/47/98/530804798.db2.gz MTIMBVTURXQAIA-OLZOCXBDSA-N 1 0 381.274 1.786 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000182810870 530805522 /nfs/dbraw/zinc/80/55/22/530805522.db2.gz PARPJCRPEURALG-ZDUSSCGKSA-N 1 0 381.274 1.223 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000069147545 530795868 /nfs/dbraw/zinc/79/58/68/530795868.db2.gz LFQWPXXFDDSCPU-CYBMUJFWSA-N 1 0 385.486 1.876 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(OC)ccc1Br ZINC000184342792 530827708 /nfs/dbraw/zinc/82/77/08/530827708.db2.gz OKDZAMRUDQPPCU-UHFFFAOYSA-N 1 0 381.292 1.050 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000184669434 530830835 /nfs/dbraw/zinc/83/08/35/530830835.db2.gz QHXUTAPWABHPLG-NSHDSACASA-N 1 0 384.274 1.773 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185051548 530835842 /nfs/dbraw/zinc/83/58/42/530835842.db2.gz BGCQGWMWKAFDKD-YTWAJWBKSA-N 1 0 386.315 1.825 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000185049503 530835995 /nfs/dbraw/zinc/83/59/95/530835995.db2.gz ATTJGPOBUUMDFA-DMDPSCGWSA-N 1 0 387.299 1.662 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000079334728 530808159 /nfs/dbraw/zinc/80/81/59/530808159.db2.gz JOMSQZHQQGSYGS-AWEZNQCLSA-N 1 0 386.290 1.084 20 0 GDADRO O=C(NCC[NH2+][C@H]1CCCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000183264938 530812703 /nfs/dbraw/zinc/81/27/03/530812703.db2.gz UHXNWIYDOLBXPQ-ZDUSSCGKSA-N 1 0 375.288 1.346 20 0 GDADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(=O)N1CCOCC1 ZINC000183359421 530813833 /nfs/dbraw/zinc/81/38/33/530813833.db2.gz FYFSKAMARDFAJZ-LBPRGKRZSA-N 1 0 384.274 1.615 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000183949309 530822119 /nfs/dbraw/zinc/82/21/19/530822119.db2.gz GJXGNKXQAIBTCR-UHFFFAOYSA-N 1 0 382.511 1.430 20 0 GDADRO [NH3+]CCN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000184203124 530825153 /nfs/dbraw/zinc/82/51/53/530825153.db2.gz FENVNTXEVYWSQB-UHFFFAOYSA-N 1 0 387.914 1.667 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Br)cn1C ZINC000101697659 530825445 /nfs/dbraw/zinc/82/54/45/530825445.db2.gz UUDIMOOIDDWWKD-ZDUSSCGKSA-N 1 0 385.306 1.460 20 0 GDADRO CC[N@H+](CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CC1 ZINC000101957559 530826692 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CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000118095671 530915762 /nfs/dbraw/zinc/91/57/62/530915762.db2.gz OQWHPCWPAUCUDW-AWEZNQCLSA-N 1 0 380.286 1.939 20 0 GDADRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)Nc2ccc(Br)cn2)C1(C)C ZINC000189971084 530923263 /nfs/dbraw/zinc/92/32/63/530923263.db2.gz LIRAJODSLWPDHM-WBMJQRKESA-N 1 0 386.290 1.938 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000190311136 530928518 /nfs/dbraw/zinc/92/85/18/530928518.db2.gz MQKIQIDZMDUYAE-UHFFFAOYSA-N 1 0 391.274 1.825 20 0 GDADRO CC(C)(O)C[NH+]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192072651 530960645 /nfs/dbraw/zinc/96/06/45/530960645.db2.gz JYEZGHSEEFKMGD-MRXNPFEDSA-N 1 0 396.329 1.943 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192101477 530961832 /nfs/dbraw/zinc/96/18/32/530961832.db2.gz CCADIGKTCQNIQG-CQSZACIVSA-N 1 0 392.681 1.470 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c(Br)o1 ZINC000120223799 530937590 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C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000121363192 530954913 /nfs/dbraw/zinc/95/49/13/530954913.db2.gz GNIKYXZGBIAIMG-HUUCEWRRSA-N 1 0 382.551 1.883 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1sccc1Br ZINC000121450524 530956755 /nfs/dbraw/zinc/95/67/55/530956755.db2.gz QBPHPSBGHFABEW-UHFFFAOYSA-N 1 0 396.376 1.769 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)Cc1cc(Cl)cn1C ZINC000192777619 530973603 /nfs/dbraw/zinc/97/36/03/530973603.db2.gz YWXMFSUHKPYUAF-UHFFFAOYSA-N 1 0 387.937 1.874 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000122565857 530973674 /nfs/dbraw/zinc/97/36/74/530973674.db2.gz ZXGZAZUIYRZPCG-LBPRGKRZSA-N 1 0 376.320 1.363 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1cnc(-c2ccco2)s1)NC[C@H]1CCCCO1 ZINC000193099303 530979353 /nfs/dbraw/zinc/97/93/53/530979353.db2.gz UQYHHUIQLJEPND-CYBMUJFWSA-N 1 0 385.511 1.981 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(Br)ccc2C)CC1 ZINC000193100847 530979642 /nfs/dbraw/zinc/97/96/42/530979642.db2.gz SJLQBGFWELJBHU-UHFFFAOYSA-N 1 0 390.347 1.673 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ncccc2Br)CC1 ZINC000193151069 530980189 /nfs/dbraw/zinc/98/01/89/530980189.db2.gz CKGGFPPLQPCFRH-UHFFFAOYSA-N 1 0 381.274 1.224 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1Br ZINC000193244342 530982158 /nfs/dbraw/zinc/98/21/58/530982158.db2.gz MZILIWABLFBIJR-NSHDSACASA-N 1 0 390.303 1.685 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000123300512 530982585 /nfs/dbraw/zinc/98/25/85/530982585.db2.gz GTXSVHZTSYFQJD-JTQLQIEISA-N 1 0 377.869 1.683 20 0 GDADRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000123452824 530983590 /nfs/dbraw/zinc/98/35/90/530983590.db2.gz BEXYZCGAASIOKM-SNVBAGLBSA-N 1 0 391.287 1.722 20 0 GDADRO Cc1nc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)ccc1Br ZINC000193304517 530983600 /nfs/dbraw/zinc/98/36/00/530983600.db2.gz LRDLCICEEXHDPY-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1Br ZINC000193315061 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COc1cc(OC)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1Br ZINC000237207587 531043821 /nfs/dbraw/zinc/04/38/21/531043821.db2.gz OOCVZLQFNRDDAB-VHSXEESVSA-N 1 0 393.303 1.967 20 0 GDADRO C[NH2+]C[C@@H](C)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000237186410 531043991 /nfs/dbraw/zinc/04/39/91/531043991.db2.gz YSDUTYYCGBEYEG-LLVKDONJSA-N 1 0 391.331 1.973 20 0 GDADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000237209206 531044225 /nfs/dbraw/zinc/04/42/25/531044225.db2.gz DTEYTIAESXJEDB-LBPRGKRZSA-N 1 0 375.560 1.587 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000237328996 531045425 /nfs/dbraw/zinc/04/54/25/531045425.db2.gz MGVKMKFIWIXODQ-SNVBAGLBSA-N 1 0 392.319 1.285 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000237335236 531045558 /nfs/dbraw/zinc/04/55/58/531045558.db2.gz XPFKWXOHDHVZCZ-GWCFXTLKSA-N 1 0 377.304 1.258 20 0 GDADRO C[C@@H]1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[C@@H]1C[NH3+] ZINC000237411735 531045985 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[NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CCO1 ZINC000478612968 531345865 /nfs/dbraw/zinc/34/58/65/531345865.db2.gz ZPHOJIUMLNXDNQ-ZCFIWIBFSA-N 1 0 375.697 1.512 20 0 GDADRO C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC[N@@H+](C2CCC2)C1 ZINC000292255196 531346159 /nfs/dbraw/zinc/34/61/59/531346159.db2.gz DZVTYRAGDSVAQZ-NSHDSACASA-N 1 0 399.289 1.044 20 0 GDADRO CCSCC[C@@H](C)[N@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000266605266 531356646 /nfs/dbraw/zinc/35/66/46/531356646.db2.gz GCUDJQRXQGVIRN-CQSZACIVSA-N 1 0 387.571 1.456 20 0 GDADRO CN(CCCNC(=O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1(C)C)S(C)(=O)=O ZINC000412045948 531357050 /nfs/dbraw/zinc/35/70/50/531357050.db2.gz ZSVZDBHCIBCVPB-HNNXBMFYSA-N 1 0 375.579 1.921 20 0 GDADRO Cc1nc(NC(=O)[C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)C)CC2)sc1C ZINC000266622075 531357877 /nfs/dbraw/zinc/35/78/77/531357877.db2.gz RCAQYOHYEVWZRO-GFCCVEGCSA-N 1 0 388.559 1.879 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)C1 ZINC000266639549 531358961 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C[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000292634965 531367383 /nfs/dbraw/zinc/36/73/83/531367383.db2.gz OFZXBTGFQGLORM-CYBMUJFWSA-N 1 0 382.302 1.785 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000441984081 531368217 /nfs/dbraw/zinc/36/82/17/531368217.db2.gz BRQFATDFSZQOFK-SNVBAGLBSA-N 1 0 382.258 1.749 20 0 GDADRO CC(=O)NCC(=O)N1CCCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000528729972 531372188 /nfs/dbraw/zinc/37/21/88/531372188.db2.gz MYEWPZVWOAADGX-MRXNPFEDSA-N 1 0 398.301 1.153 20 0 GDADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000480630536 531372219 /nfs/dbraw/zinc/37/22/19/531372219.db2.gz JXODDZKBAFMLMT-LLVKDONJSA-N 1 0 381.495 1.206 20 0 GDADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000266989104 531383572 /nfs/dbraw/zinc/38/35/72/531383572.db2.gz JJZGMIJAHXXLEJ-UHFFFAOYSA-N 1 0 383.290 1.986 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)c(=O)n(C)c1=O ZINC000278744908 531385227 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CC(=O)NCc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)s1 ZINC000267145899 531403104 /nfs/dbraw/zinc/40/31/04/531403104.db2.gz LZTKINXNOREDDQ-AWEZNQCLSA-N 1 0 377.557 1.100 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)cc2OC)[C@H](C)C1 ZINC000267144148 531403221 /nfs/dbraw/zinc/40/32/21/531403221.db2.gz ALVQVTQDROTQJO-NEPJUHHUSA-N 1 0 390.527 1.894 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000267151802 531404047 /nfs/dbraw/zinc/40/40/47/531404047.db2.gz CKNRJRUONWXLLF-MNOVXSKESA-N 1 0 376.500 1.647 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C[NH+](C)C ZINC000293177789 531405909 /nfs/dbraw/zinc/40/59/09/531405909.db2.gz MUOSFTDZUFPTLZ-QMMMGPOBSA-N 1 0 378.217 1.980 20 0 GDADRO CN(CC(F)(F)F)C(=O)CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000531142970 531405856 /nfs/dbraw/zinc/40/58/56/531405856.db2.gz PALRWOYULKFTHI-UHFFFAOYSA-N 1 0 379.345 1.594 20 0 GDADRO C[C@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2I)CC[N@@H+]1C ZINC000293189878 531407055 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O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccc(Cl)cc1Br ZINC000415330457 531475402 /nfs/dbraw/zinc/47/54/02/531475402.db2.gz NXIVIMHHWYSRSO-UHFFFAOYSA-N 1 0 389.681 1.062 20 0 GDADRO O=C(Nc1ccc(C(F)(F)F)cc1Br)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415330348 531475710 /nfs/dbraw/zinc/47/57/10/531475710.db2.gz KQDIKCJWSHRHRX-MRVPVSSYSA-N 1 0 380.164 1.885 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000280154023 531476595 /nfs/dbraw/zinc/47/65/95/531476595.db2.gz HTUMFZMWFLPQOV-AWEZNQCLSA-N 1 0 394.216 1.095 20 0 GDADRO COCCn1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cn1 ZINC000449764412 531476623 /nfs/dbraw/zinc/47/66/23/531476623.db2.gz AWTPGLJWRXFZBB-UHFFFAOYSA-N 1 0 396.289 2.136 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000267891953 531459294 /nfs/dbraw/zinc/45/92/94/531459294.db2.gz SFIIUFZHZVKQGM-ZDUSSCGKSA-N 1 0 376.450 1.247 20 0 GDADRO CC(C)S(=O)(=O)c1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000542914191 531477395 /nfs/dbraw/zinc/47/73/95/531477395.db2.gz BXBBRTDMDAMCLK-UHFFFAOYSA-N 1 0 388.555 1.725 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(F)c2I)C1 ZINC000415349497 531477431 /nfs/dbraw/zinc/47/74/31/531477431.db2.gz DGHMFTRYUAZZQD-QMMMGPOBSA-N 1 0 391.184 1.176 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)Nc1nnc(SCc2ccccc2)s1 ZINC000414706960 531463274 /nfs/dbraw/zinc/46/32/74/531463274.db2.gz LWEFFVUFYDYAFU-UHFFFAOYSA-N 1 0 378.527 1.857 20 0 GDADRO CN1CCNC[C@H]1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414975729 531464144 /nfs/dbraw/zinc/46/41/44/531464144.db2.gz MMSYBXGCYLJBAD-KRWDZBQOSA-N 1 0 381.362 1.907 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000268009252 531466206 /nfs/dbraw/zinc/46/62/06/531466206.db2.gz OYRIGDZWBUJQDD-CHWSQXEVSA-N 1 0 389.543 1.275 20 0 GDADRO CCC[NH2+]CCNC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000415184418 531466414 /nfs/dbraw/zinc/46/64/14/531466414.db2.gz HJSZUKGANBYMSR-UHFFFAOYSA-N 1 0 382.408 1.648 20 0 GDADRO C[C@@](O)(CN1CC[C@H](S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000294215974 531467054 /nfs/dbraw/zinc/46/70/54/531467054.db2.gz SBNQRHAXNAPYBL-SMDDNHRTSA-N 1 0 380.279 1.915 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](O)C(F)F ZINC000449173921 531467711 /nfs/dbraw/zinc/46/77/11/531467711.db2.gz OMJWOSYEDKNPGD-KWQFWETISA-N 1 0 381.217 1.678 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](O)C(F)F ZINC000449173920 531467813 /nfs/dbraw/zinc/46/78/13/531467813.db2.gz OMJWOSYEDKNPGD-KCJUWKMLSA-N 1 0 381.217 1.678 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000415203092 531468127 /nfs/dbraw/zinc/46/81/27/531468127.db2.gz QLCAHJHNOSBEOO-NOZJJQNGSA-N 1 0 390.893 1.946 20 0 GDADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000415351791 531477686 /nfs/dbraw/zinc/47/76/86/531477686.db2.gz JCSVWRUZLFBAPL-VIFPVBQESA-N 1 0 390.665 1.999 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415268502 531470216 /nfs/dbraw/zinc/47/02/16/531470216.db2.gz JYPOVZYLCLLMMR-SNVBAGLBSA-N 1 0 377.242 1.886 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000415272902 531470765 /nfs/dbraw/zinc/47/07/65/531470765.db2.gz ULUKJJPREHZBTB-UHFFFAOYSA-N 1 0 382.251 2.067 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)Nc1c(Br)cc(F)cc1Br ZINC000415291338 531471445 /nfs/dbraw/zinc/47/14/45/531471445.db2.gz JKJQWLKCIHZQLH-UHFFFAOYSA-N 1 0 397.042 1.754 20 0 GDADRO CCN1C[C@@H]([NH2+]Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)CC1=O ZINC000449522127 531471460 /nfs/dbraw/zinc/47/14/60/531471460.db2.gz VXTJWHXJNSCRKE-FZMZJTMJSA-N 1 0 398.301 1.673 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000449709166 531473215 /nfs/dbraw/zinc/47/32/15/531473215.db2.gz IEFKTJSEJVCLCM-PWSUYJOCSA-N 1 0 394.269 1.679 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415356115 531478471 /nfs/dbraw/zinc/47/84/71/531478471.db2.gz QBCQCAYBXLPXNW-NSHDSACASA-N 1 0 392.257 1.381 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000415355316 531478556 /nfs/dbraw/zinc/47/85/56/531478556.db2.gz GFFJZJNCQCZJQH-LBPRGKRZSA-N 1 0 387.889 1.283 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Br)cn1 ZINC000280173397 531478704 /nfs/dbraw/zinc/47/87/04/531478704.db2.gz ZHZBHOJNMFYPHJ-NEPJUHHUSA-N 1 0 383.290 1.431 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1c(Br)cc(F)cc1Br ZINC000415362508 531479077 /nfs/dbraw/zinc/47/90/77/531479077.db2.gz PTPZQZVOFAUZQO-UHFFFAOYSA-N 1 0 397.042 1.625 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)cc1Br ZINC000415363561 531479103 /nfs/dbraw/zinc/47/91/03/531479103.db2.gz QTEQQCKYHXEYJM-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO C[NH+](C)Cc1ccsc1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000268154593 531480008 /nfs/dbraw/zinc/48/00/08/531480008.db2.gz SAARFACBFICRBB-CQSZACIVSA-N 1 0 389.543 1.028 20 0 GDADRO Cn1cc(Br)c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000294450771 531480176 /nfs/dbraw/zinc/48/01/76/531480176.db2.gz VPNGMFQMSKQILD-UHFFFAOYSA-N 1 0 378.274 1.972 20 0 GDADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@H](C)CCSC ZINC000268310055 531493219 /nfs/dbraw/zinc/49/32/19/531493219.db2.gz JSKROTNUBUQFRQ-LLVKDONJSA-N 1 0 375.516 1.355 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000415376756 531480786 /nfs/dbraw/zinc/48/07/86/531480786.db2.gz LMATTWBZKMIQMG-JTQLQIEISA-N 1 0 383.239 1.381 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000415377094 531480991 /nfs/dbraw/zinc/48/09/91/531480991.db2.gz ZNDOSUBSHUEJLN-ZETCQYMHSA-N 1 0 396.163 1.846 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415384328 531481633 /nfs/dbraw/zinc/48/16/33/531481633.db2.gz STHMBSAQGIPIEF-UHFFFAOYSA-N 1 0 388.262 1.266 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1Br ZINC000415387798 531481827 /nfs/dbraw/zinc/48/18/27/531481827.db2.gz YIFTZUHKWUUING-SECBINFHSA-N 1 0 384.230 1.042 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(F)c1I ZINC000415411697 531484216 /nfs/dbraw/zinc/48/42/16/531484216.db2.gz BOTBXBBSEQDCAZ-ZETCQYMHSA-N 1 0 379.173 1.174 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415412955 531484481 /nfs/dbraw/zinc/48/44/81/531484481.db2.gz YPKNTPOOOKFSOG-MRVPVSSYSA-N 1 0 376.201 1.782 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccncc1I ZINC000415424533 531485045 /nfs/dbraw/zinc/48/50/45/531485045.db2.gz IBGFVZWPOJRDDU-KCJUWKMLSA-N 1 0 390.225 1.343 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])sc2c1CCCS2 ZINC000415423825 531485310 /nfs/dbraw/zinc/48/53/10/531485310.db2.gz ZMRSVJGRSGYKNP-VIFPVBQESA-N 1 0 385.511 1.707 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[C@H]1[NH3+] ZINC000415432517 531485681 /nfs/dbraw/zinc/48/56/81/531485681.db2.gz HEVIUBURCZJRIP-WRWORJQWSA-N 1 0 376.201 1.862 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2I)CC[NH2+]1 ZINC000415439529 531485907 /nfs/dbraw/zinc/48/59/07/531485907.db2.gz RDXHPSDQZLWLAH-MRVPVSSYSA-N 1 0 391.184 1.189 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000268235212 531487455 /nfs/dbraw/zinc/48/74/55/531487455.db2.gz ZPTBWLRNDQPAOH-BONVTDFDSA-N 1 0 396.285 1.995 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC[C@@H]1[NH3+] ZINC000415451865 531487715 /nfs/dbraw/zinc/48/77/15/531487715.db2.gz KTLFJGXBJOZATB-HQJQHLMTSA-N 1 0 376.201 1.862 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000415461193 531487783 /nfs/dbraw/zinc/48/77/83/531487783.db2.gz ZNDORIIIHLDIKQ-CYBMUJFWSA-N 1 0 382.251 1.971 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[C@H]1[NH3+] ZINC000415457270 531488048 /nfs/dbraw/zinc/48/80/48/531488048.db2.gz XJWZEEXVTKUPEH-GMSGAONNSA-N 1 0 376.201 1.862 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1Br ZINC000415462522 531488085 /nfs/dbraw/zinc/48/80/85/531488085.db2.gz PHMPZZBPKPSNIJ-KOLCDFICSA-N 1 0 398.257 1.370 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000415466535 531488577 /nfs/dbraw/zinc/48/85/77/531488577.db2.gz UDMRALSKSDQKHE-CABZTGNLSA-N 1 0 387.221 1.425 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CCCO1 ZINC000415481801 531489546 /nfs/dbraw/zinc/48/95/46/531489546.db2.gz KRMAKNWKQMALNN-LBPRGKRZSA-N 1 0 395.261 1.611 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415486466 531489805 /nfs/dbraw/zinc/48/98/05/531489805.db2.gz FLRSMEVIBWZYLW-NSHDSACASA-N 1 0 381.274 1.870 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415491400 531489890 /nfs/dbraw/zinc/48/98/90/531489890.db2.gz KOYOZLMLNHXJJL-SNVBAGLBSA-N 1 0 381.889 1.951 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000450203198 531489964 /nfs/dbraw/zinc/48/99/64/531489964.db2.gz GIBYEQRYHUQCIM-MRXNPFEDSA-N 1 0 381.274 1.677 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)NC)C1)CC(C)C ZINC000363534147 531490190 /nfs/dbraw/zinc/49/01/90/531490190.db2.gz LAUVQTBKQIGZOZ-HZPDHXFCSA-N 1 0 376.567 1.466 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000545302674 531490282 /nfs/dbraw/zinc/49/02/82/531490282.db2.gz GFMNMSRLGISZIW-GXTWGEPZSA-N 1 0 395.305 1.548 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)nc1 ZINC000415520858 531491843 /nfs/dbraw/zinc/49/18/43/531491843.db2.gz SGVZCRWUUFEJQZ-JTQLQIEISA-N 1 0 379.433 1.262 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415539385 531492484 /nfs/dbraw/zinc/49/24/84/531492484.db2.gz JPKDEXUAMRZUQL-QWRGUYRKSA-N 1 0 384.274 1.900 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NCC[NH2+]CCOC)cc1Br ZINC000415544292 531492567 /nfs/dbraw/zinc/49/25/67/531492567.db2.gz ZPLCFKSDFKUDNO-UHFFFAOYSA-N 1 0 388.262 1.139 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C1CC1 ZINC000415540001 531492743 /nfs/dbraw/zinc/49/27/43/531492743.db2.gz NIQIVWFJDIFUEI-LBPRGKRZSA-N 1 0 382.251 1.971 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)ccc1Br ZINC000415540886 531492812 /nfs/dbraw/zinc/49/28/12/531492812.db2.gz PVUZSXZKNBMCFI-LBPRGKRZSA-N 1 0 384.230 1.028 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2I)C1 ZINC000415354078 531478165 /nfs/dbraw/zinc/47/81/65/531478165.db2.gz NECJEJCYMRXZMJ-QMMMGPOBSA-N 1 0 393.612 1.443 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2Br)C1 ZINC000415358902 531478205 /nfs/dbraw/zinc/47/82/05/531478205.db2.gz UZBWSIGZVYKCHM-QMMMGPOBSA-N 1 0 391.063 1.710 20 0 GDADRO CN1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)[C@H]2C1 ZINC000295084050 531519545 /nfs/dbraw/zinc/51/95/45/531519545.db2.gz DRAGFPWJACCOSE-RISCZKNCSA-N 1 0 392.930 1.458 20 0 GDADRO CC(=O)[C@](C)(O)CN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000450834932 531511705 /nfs/dbraw/zinc/51/17/05/531511705.db2.gz ZZHAPFCTQZUQIO-QGZVFWFLSA-N 1 0 389.279 1.856 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000415674085 531511894 /nfs/dbraw/zinc/51/18/94/531511894.db2.gz HGFVTQCSSGLTSE-NSHDSACASA-N 1 0 384.274 1.984 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000415681556 531513819 /nfs/dbraw/zinc/51/38/19/531513819.db2.gz RIOHLASBPCPTOW-LLVKDONJSA-N 1 0 386.294 1.930 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415687518 531514107 /nfs/dbraw/zinc/51/41/07/531514107.db2.gz IUYIDOHRBNLWBN-INIZCTEOSA-N 1 0 398.257 1.372 20 0 GDADRO C[C@H](NC(=O)c1c(Br)cnn1C)C1(N2CCOCC2)CCCC1 ZINC000295012535 531514144 /nfs/dbraw/zinc/51/41/44/531514144.db2.gz PZHMFRUTNDNETI-LBPRGKRZSA-N 1 0 385.306 1.946 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2c(C)cc(C)cc2Br)CCC[NH2+]1 ZINC000415702293 531515277 /nfs/dbraw/zinc/51/52/77/531515277.db2.gz DCTATGPDMIDBSQ-QGZVFWFLSA-N 1 0 398.301 1.889 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581835090 531517855 /nfs/dbraw/zinc/51/78/55/531517855.db2.gz LUUFGVXHTKYBSF-HNNXBMFYSA-N 1 0 381.318 1.947 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415554006 531494421 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CC[NH+](CC)CCNC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000550312946 531526183 /nfs/dbraw/zinc/52/61/83/531526183.db2.gz YIDLPVAKTSACRI-UHFFFAOYSA-N 1 0 382.302 1.792 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415777048 531528024 /nfs/dbraw/zinc/52/80/24/531528024.db2.gz BKXJJBHCBRGGJO-MNOVXSKESA-N 1 0 394.273 1.484 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(I)cc1F ZINC000582014051 531528961 /nfs/dbraw/zinc/52/89/61/531528961.db2.gz FYHWXLGEPMADDI-QMMMGPOBSA-N 1 0 393.200 1.341 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000658778600 531528913 /nfs/dbraw/zinc/52/89/13/531528913.db2.gz MKHGNIFCPHLHNS-NSHDSACASA-N 1 0 387.889 1.283 20 0 GDADRO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280719185 531530840 /nfs/dbraw/zinc/53/08/40/531530840.db2.gz NCLOEMXWDDCUCD-JFGNBEQYSA-N 1 0 375.288 1.684 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000582052470 531530865 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O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415862912 531544404 /nfs/dbraw/zinc/54/44/04/531544404.db2.gz KZWJSCQNSIRNBA-SECBINFHSA-N 1 0 381.738 1.282 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCCO1 ZINC000415857897 531545023 /nfs/dbraw/zinc/54/50/23/531545023.db2.gz IOSSYPAHAAQTJK-QMMMGPOBSA-N 1 0 392.200 1.242 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415860434 531545191 /nfs/dbraw/zinc/54/51/91/531545191.db2.gz CCKILWVWPXBHHD-UHFFFAOYSA-N 1 0 384.274 1.963 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415866467 531545937 /nfs/dbraw/zinc/54/59/37/531545937.db2.gz JOKXVDUOIBQOSQ-GFCCVEGCSA-N 1 0 387.889 1.330 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](C)NS(=O)(=O)CC ZINC000612349760 531548044 /nfs/dbraw/zinc/54/80/44/531548044.db2.gz IFYSXSKWHNDWSR-AWEZNQCLSA-N 1 0 375.560 1.746 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000582291697 531548310 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Cc1csc([C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C(F)(F)F)n1 ZINC000295508950 531589288 /nfs/dbraw/zinc/58/92/88/531589288.db2.gz CRJCPIAZEJUELI-PWSUYJOCSA-N 1 0 378.420 1.581 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000295508830 531590411 /nfs/dbraw/zinc/59/04/11/531590411.db2.gz URGAWZJNYFHBMJ-TYNCELHUSA-N 1 0 383.286 1.989 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000583687685 531590173 /nfs/dbraw/zinc/59/01/73/531590173.db2.gz IBBBTNSENUWVML-LSDHHAIUSA-N 1 0 376.254 1.483 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2C)C[C@H]1[NH+]1CCCC1 ZINC000614278319 531590953 /nfs/dbraw/zinc/59/09/53/531590953.db2.gz SOWOLMHAZTZZFV-HZPDHXFCSA-N 1 0 383.539 1.294 20 0 GDADRO COCC[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)CN1CCOCC1 ZINC000494285730 531594292 /nfs/dbraw/zinc/59/42/92/531594292.db2.gz SFTYOWLEWXPWCZ-ZDUSSCGKSA-N 1 0 393.347 1.652 20 0 GDADRO CC(C)C[C@H](NS(=O)(=O)C[C@@H]1CCCC1(F)F)C(=O)NCC[NH+](C)C ZINC000451353920 531595914 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375.288 1.312 20 0 GDADRO [NH3+][C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000662449526 531679511 /nfs/dbraw/zinc/67/95/11/531679511.db2.gz XSZIIVRCCPFPFY-XYPYZODXSA-N 1 0 392.308 1.564 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000662569337 531689284 /nfs/dbraw/zinc/68/92/84/531689284.db2.gz YDGNTIXNVLVCBP-QWRGUYRKSA-N 1 0 381.274 1.372 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000618306157 531681976 /nfs/dbraw/zinc/68/19/76/531681976.db2.gz VEPSPTXWCUSAQW-UHFFFAOYSA-N 1 0 376.284 1.851 20 0 GDADRO O=C(NCCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000561151502 531682933 /nfs/dbraw/zinc/68/29/33/531682933.db2.gz VFLQTSPVDRVOKU-UONOGXRCSA-N 1 0 395.301 1.430 20 0 GDADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000639137210 531683419 /nfs/dbraw/zinc/68/34/19/531683419.db2.gz UYMHDKUPINFMCT-YPMHNXCESA-N 1 0 375.441 1.280 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000561197931 531685498 /nfs/dbraw/zinc/68/54/98/531685498.db2.gz KNUBJYJVYCOJPO-OLZOCXBDSA-N 1 0 388.921 1.319 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000561229901 531687185 /nfs/dbraw/zinc/68/71/85/531687185.db2.gz JGWAJHXNBXQAIO-XABYNWHXSA-N 1 0 394.313 1.865 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000561229951 531687987 /nfs/dbraw/zinc/68/79/87/531687987.db2.gz XTRXJBLPYMOKOR-VHSXEESVSA-N 1 0 391.274 1.411 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cnc(Cl)c(Br)c3)C[C@@H]2C1 ZINC000296369272 531688594 /nfs/dbraw/zinc/68/85/94/531688594.db2.gz SNMQJFNUQYXJFU-DTORHVGOSA-N 1 0 380.695 1.680 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000503549709 531695673 /nfs/dbraw/zinc/69/56/73/531695673.db2.gz BHSSCIBVOQPZSM-JTQLQIEISA-N 1 0 381.420 1.858 20 0 GDADRO CC[C@@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1cccc(S(N)(=O)=O)c1 ZINC000662792938 531697111 /nfs/dbraw/zinc/69/71/11/531697111.db2.gz ZMMGTAOVBHFARO-CQSZACIVSA-N 1 0 379.507 1.922 20 0 GDADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000618993989 531698833 /nfs/dbraw/zinc/69/88/33/531698833.db2.gz OOVGHCGFMXUFPS-AWEZNQCLSA-N 1 0 387.933 1.855 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(I)cc3)C[C@@H]21 ZINC000451859711 531699324 /nfs/dbraw/zinc/69/93/24/531699324.db2.gz AHENJEHGZHFDJE-MFKMUULPSA-N 1 0 392.262 1.616 20 0 GDADRO CC1([NH+]2CCOCC2)CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000639351070 531689573 /nfs/dbraw/zinc/68/95/73/531689573.db2.gz ZJQLGFFAMKOZQT-UHFFFAOYSA-N 1 0 387.933 1.674 20 0 GDADRO NC(=O)[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1Cl ZINC000662585682 531690131 /nfs/dbraw/zinc/69/01/31/531690131.db2.gz ALQXWKMZOQYXBZ-XHDPSFHLSA-N 1 0 377.794 1.642 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000662660439 531692206 /nfs/dbraw/zinc/69/22/06/531692206.db2.gz DLFRTPASNRQGRT-HUUCEWRRSA-N 1 0 396.285 1.217 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1F)N1CC[NH+](C)CC1 ZINC000282017025 531692133 /nfs/dbraw/zinc/69/21/33/531692133.db2.gz WGWHOTHTEIXUHF-NSHDSACASA-N 1 0 394.310 1.502 20 0 GDADRO [NH3+]C1(CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)CCCC1 ZINC000662652352 531692296 /nfs/dbraw/zinc/69/22/96/531692296.db2.gz MOQHVCVDGWEWEB-UHFFFAOYSA-N 1 0 396.285 1.952 20 0 GDADRO [NH3+]C1(C(=O)NC[C@H](O)COc2ccccc2Br)CC2(CCC2)C1 ZINC000662639224 531692566 /nfs/dbraw/zinc/69/25/66/531692566.db2.gz HSNITBYYROAPDB-LBPRGKRZSA-N 1 0 383.286 1.967 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncc(Br)cc2S(N)(=O)=O)C1 ZINC000503302172 531693689 /nfs/dbraw/zinc/69/36/89/531693689.db2.gz XTHFOQIPDKVIQK-NSHDSACASA-N 1 0 391.335 1.881 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC000296523623 531701238 /nfs/dbraw/zinc/70/12/38/531701238.db2.gz SEWMXWAQOVNONK-ZDUSSCGKSA-N 1 0 394.278 1.805 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000296537963 531702973 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C[NH+](C)CCN(CC1CCCCC1)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000591153661 531709826 /nfs/dbraw/zinc/70/98/26/531709826.db2.gz SVTVBFVMHNYKJM-UHFFFAOYSA-N 1 0 387.571 1.909 20 0 GDADRO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000561776362 531725410 /nfs/dbraw/zinc/72/54/10/531725410.db2.gz QEYNUGWDODEARF-CABCVRRESA-N 1 0 386.265 1.128 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000296803192 531725714 /nfs/dbraw/zinc/72/57/14/531725714.db2.gz RBQKECPEMPSJDA-NSHDSACASA-N 1 0 380.919 1.316 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000620239631 531727347 /nfs/dbraw/zinc/72/73/47/531727347.db2.gz YMJDVDPGTUAZMZ-UHFFFAOYSA-N 1 0 375.560 1.764 20 0 GDADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000269730760 531727904 /nfs/dbraw/zinc/72/79/04/531727904.db2.gz RZIIAZKNRDLKKD-UHFFFAOYSA-N 1 0 381.495 1.158 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000296821755 531728584 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CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000296718015 531717719 /nfs/dbraw/zinc/71/77/19/531717719.db2.gz JAODWWUZTNYJCA-AEGPPILISA-N 1 0 396.329 1.956 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)c1cn2ccc(Br)cc2n1 ZINC000506356527 531734861 /nfs/dbraw/zinc/73/48/61/531734861.db2.gz MXRVXCFFUKGGAI-UHFFFAOYSA-N 1 0 381.274 1.939 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1F ZINC000269747812 531737143 /nfs/dbraw/zinc/73/71/43/531737143.db2.gz RUZPZIHCHJNLKD-UHFFFAOYSA-N 1 0 393.506 1.348 20 0 GDADRO C[C@H](NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C(C)(C)C[NH+](C)C ZINC000506359749 531737629 /nfs/dbraw/zinc/73/76/29/531737629.db2.gz RQLWUANMIVVGMU-STQMWFEESA-N 1 0 391.559 1.158 20 0 GDADRO O=C(Nc1nnc2ccc(Br)cn21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000296894388 531737807 /nfs/dbraw/zinc/73/78/07/531737807.db2.gz YHPLDRJAIIQILV-LBPRGKRZSA-N 1 0 377.246 1.970 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1Cl ZINC000366321110 531738406 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531802304 /nfs/dbraw/zinc/80/23/04/531802304.db2.gz WVIYQNSRGLMYAD-UHFFFAOYSA-N 1 0 390.274 1.811 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667800870 531785379 /nfs/dbraw/zinc/78/53/79/531785379.db2.gz RFQWNNUOXXENAD-UHFFFAOYSA-N 1 0 392.257 1.473 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000297366655 531785706 /nfs/dbraw/zinc/78/57/06/531785706.db2.gz SOTPGKVDPSPRFA-NSHDSACASA-N 1 0 383.250 1.334 20 0 GDADRO C[NH+](C)C1(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000667864386 531786657 /nfs/dbraw/zinc/78/66/57/531786657.db2.gz YGJUVBBSKPIPEB-UHFFFAOYSA-N 1 0 380.286 1.828 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000417840734 531787336 /nfs/dbraw/zinc/78/73/36/531787336.db2.gz SDSDBBFLFZWCJA-VIFPVBQESA-N 1 0 376.770 1.905 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000417898018 531788351 /nfs/dbraw/zinc/78/83/51/531788351.db2.gz JDWVJONULUWJIF-GFCCVEGCSA-N 1 0 399.289 1.151 20 0 GDADRO O=C(NCCC[NH+]1CCCCC1)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000269860666 531788854 /nfs/dbraw/zinc/78/88/54/531788854.db2.gz QXGYUJRYRYZNIA-CQSZACIVSA-N 1 0 389.543 1.058 20 0 GDADRO O[C@@H](COc1cc(F)cc(Br)c1)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641230026 531789052 /nfs/dbraw/zinc/78/90/52/531789052.db2.gz VIDHTLNLQCVXJS-XHDPSFHLSA-N 1 0 399.264 1.772 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641252231 531789668 /nfs/dbraw/zinc/78/96/68/531789668.db2.gz JMPJQHNZHUYEKR-NSHDSACASA-N 1 0 388.291 1.254 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000417912627 531789861 /nfs/dbraw/zinc/78/98/61/531789861.db2.gz OUKKQKFEGMJKCV-UHFFFAOYSA-N 1 0 376.548 1.460 20 0 GDADRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccs2)CC[N@@H+](C2CC2)C1 ZINC000297438555 531791671 /nfs/dbraw/zinc/79/16/71/531791671.db2.gz UNKSQKNCIKFLLP-ZDUSSCGKSA-N 1 0 386.543 1.152 20 0 GDADRO CSc1cc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccn1 ZINC000417971556 531793488 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Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H](C)[C@H]([NH3+])C3)nc12 ZINC000418022135 531798749 /nfs/dbraw/zinc/79/87/49/531798749.db2.gz QVFODMSLQNGZGI-BXUZGUMPSA-N 1 0 380.290 1.936 20 0 GDADRO COCCCS(=O)(=O)NCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282809577 531799230 /nfs/dbraw/zinc/79/92/30/531799230.db2.gz HYFSOERQJKGBGN-OAHLLOKOSA-N 1 0 391.921 1.015 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000668506956 531802248 /nfs/dbraw/zinc/80/22/48/531802248.db2.gz LWCHKBGXYSHBKH-OWYVNGRQSA-N 1 0 380.279 1.921 20 0 GDADRO O=C(NCCCCn1cc(Br)cn1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418104241 531803568 /nfs/dbraw/zinc/80/35/68/531803568.db2.gz KGIJFJBVZPMIFQ-NSHDSACASA-N 1 0 380.237 1.722 20 0 GDADRO COc1cc(CS(=O)(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)sn1 ZINC000641322159 531804507 /nfs/dbraw/zinc/80/45/07/531804507.db2.gz QZVSDHCWLKTUQZ-CQSZACIVSA-N 1 0 388.559 1.083 20 0 GDADRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1cc2c(cc1Br)OCCO2 ZINC000563080093 531804965 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CS(=O)(=O)NCCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623346397 531809856 /nfs/dbraw/zinc/80/98/56/531809856.db2.gz QBTKPOXINJMVKK-UHFFFAOYSA-N 1 0 393.332 1.930 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418165762 531810323 /nfs/dbraw/zinc/81/03/23/531810323.db2.gz ILBVLJQHPCYYOJ-GXFFZTMASA-N 1 0 392.884 1.055 20 0 GDADRO O=C(NCc1ccc(I)c(Cl)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418165046 531810338 /nfs/dbraw/zinc/81/03/38/531810338.db2.gz SERWHLHHMZBBJF-GDGBQDQQSA-N 1 0 391.640 1.962 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418166580 531811351 /nfs/dbraw/zinc/81/13/51/531811351.db2.gz ZGMYUIIFKYNKTQ-GWCFXTLKSA-N 1 0 392.884 1.055 20 0 GDADRO CS(=O)(=O)NCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623379159 531812722 /nfs/dbraw/zinc/81/27/22/531812722.db2.gz ACEYCGIRQDUVGA-UHFFFAOYSA-N 1 0 379.305 1.540 20 0 GDADRO COc1cc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)ccc1Cl ZINC000623414062 531813540 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Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000418184081 531814223 /nfs/dbraw/zinc/81/42/23/531814223.db2.gz MLNVLOICYCIZGY-OCCSQVGLSA-N 1 0 388.921 1.305 20 0 GDADRO CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000418190566 531814562 /nfs/dbraw/zinc/81/45/62/531814562.db2.gz WPJJWWJERUDAFI-RISCZKNCSA-N 1 0 375.441 1.838 20 0 GDADRO O=C(NCc1cc(F)c(F)cc1Br)NC[C@H]1C[NH2+]CCCO1 ZINC000669584922 531815905 /nfs/dbraw/zinc/81/59/05/531815905.db2.gz YDTHCAYKIXCIKU-SNVBAGLBSA-N 1 0 378.217 1.905 20 0 GDADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C(F)F ZINC000418204436 531816297 /nfs/dbraw/zinc/81/62/97/531816297.db2.gz LQKMRMFFTBLJCT-MNOVXSKESA-N 1 0 396.485 1.183 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000516397320 531816789 /nfs/dbraw/zinc/81/67/89/531816789.db2.gz QGVMKOJRGUVVAV-KBPBESRZSA-N 1 0 387.571 1.812 20 0 GDADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000418323328 531822038 /nfs/dbraw/zinc/82/20/38/531822038.db2.gz UNKYIZBRBZEZKU-LSDHHAIUSA-N 1 0 384.318 1.899 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000623731745 531822745 /nfs/dbraw/zinc/82/27/45/531822745.db2.gz PQQBWRSCMMCSME-INIZCTEOSA-N 1 0 376.567 1.466 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)CC2)c(C)s1 ZINC000418391142 531822904 /nfs/dbraw/zinc/82/29/04/531822904.db2.gz BTWLYNWNBVJKJR-AWEZNQCLSA-N 1 0 386.543 1.118 20 0 GDADRO COc1cnc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(Br)c1 ZINC000641455819 531823516 /nfs/dbraw/zinc/82/35/16/531823516.db2.gz PXKKELUGMNCUCT-CQSZACIVSA-N 1 0 383.290 1.771 20 0 GDADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000418379762 531823505 /nfs/dbraw/zinc/82/35/05/531823505.db2.gz WHDRZRBZGDBWFC-ABAIWWIYSA-N 1 0 386.290 1.885 20 0 GDADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000418379764 531823519 /nfs/dbraw/zinc/82/35/19/531823519.db2.gz WHDRZRBZGDBWFC-IAQYHMDHSA-N 1 0 386.290 1.885 20 0 GDADRO O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)N[C@@H]1CCC[NH2+]C1 ZINC000418383124 531823804 /nfs/dbraw/zinc/82/38/04/531823804.db2.gz NGODKLRNCDEJQI-CHWSQXEVSA-N 1 0 388.281 1.790 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000418398345 531824166 /nfs/dbraw/zinc/82/41/66/531824166.db2.gz WIMKYIXSHFZCHL-SMDDNHRTSA-N 1 0 383.290 1.487 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=O)NCC(C)(C)[NH3+])cc1Br ZINC000418417603 531824839 /nfs/dbraw/zinc/82/48/39/531824839.db2.gz UUTZLXHAAOBCEE-LBPRGKRZSA-N 1 0 388.306 1.645 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000418424884 531824947 /nfs/dbraw/zinc/82/49/47/531824947.db2.gz IIMKFOVUWRQIPP-CHWSQXEVSA-N 1 0 388.306 1.861 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000418418780 531825239 /nfs/dbraw/zinc/82/52/39/531825239.db2.gz YAMOKPQFIAWMDF-SNVBAGLBSA-N 1 0 380.440 1.762 20 0 GDADRO CCC[NH2+]CCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000418482133 531825872 /nfs/dbraw/zinc/82/58/72/531825872.db2.gz UZOKDMHSJKJYKP-CQSZACIVSA-N 1 0 383.290 1.631 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cs1 ZINC000270045083 531825883 /nfs/dbraw/zinc/82/58/83/531825883.db2.gz PKEDQGZXSISHDB-UHFFFAOYSA-N 1 0 385.467 1.059 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000418474795 531826771 /nfs/dbraw/zinc/82/67/71/531826771.db2.gz QEHZJILSKNZAQA-JTQLQIEISA-N 1 0 380.923 1.012 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000418516786 531828189 /nfs/dbraw/zinc/82/81/89/531828189.db2.gz CTNXNEFLDZBVID-SNVBAGLBSA-N 1 0 380.923 1.155 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)N1CCc2c(Br)cccc2C1 ZINC000418286925 531820219 /nfs/dbraw/zinc/82/02/19/531820219.db2.gz ISLNFOHQFKHVEW-UHFFFAOYSA-N 1 0 381.318 1.812 20 0 GDADRO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000624174929 531833032 /nfs/dbraw/zinc/83/30/32/531833032.db2.gz GWMGEIAVODEBFN-GXTWGEPZSA-N 1 0 389.315 1.588 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000418693184 531834293 /nfs/dbraw/zinc/83/42/93/531834293.db2.gz JMKRSRZMYZSKDO-JTQLQIEISA-N 1 0 380.440 1.906 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)CCC[NH3+])CC2)c(C)s1 ZINC000418695447 531834379 /nfs/dbraw/zinc/83/43/79/531834379.db2.gz XYJSHKOBOLYOJH-GFCCVEGCSA-N 1 0 388.559 1.508 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCOC[C@H]2O)c2cc(Br)ccc21 ZINC000624237701 531835900 /nfs/dbraw/zinc/83/59/00/531835900.db2.gz BSGXLTUDBNUXCJ-YNEHKIRRSA-N 1 0 376.272 1.407 20 0 GDADRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1NS(C)(=O)=O ZINC000418743728 531836192 /nfs/dbraw/zinc/83/61/92/531836192.db2.gz DHAZITDRJWTDBN-GXFFZTMASA-N 1 0 376.429 1.416 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCCc2cccc(Cl)c2Cl)[C@H](C[NH3+])C1 ZINC000418761046 531837773 /nfs/dbraw/zinc/83/77/73/531837773.db2.gz KFIFIZQLHMLDFA-STQMWFEESA-N 1 0 388.295 1.617 20 0 GDADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N(CCO)Cc1cccc(Br)c1 ZINC000418749846 531838152 /nfs/dbraw/zinc/83/81/52/531838152.db2.gz CMNUJUGAVPSQFB-CYBMUJFWSA-N 1 0 392.244 1.950 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cc(OC)ccc1Br ZINC000418783246 531839669 /nfs/dbraw/zinc/83/96/69/531839669.db2.gz ONGNHQFJOHGSSK-GFCCVEGCSA-N 1 0 386.290 1.708 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)c(Cl)cc21 ZINC000624362299 531839704 /nfs/dbraw/zinc/83/97/04/531839704.db2.gz NGUOCPYJZQMJDD-SWLSCSKDSA-N 1 0 383.901 1.622 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)c(Cl)cc21 ZINC000624365865 531839911 /nfs/dbraw/zinc/83/99/11/531839911.db2.gz IFVIOWIFXSEXJU-RYUDHWBXSA-N 1 0 375.853 1.227 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000418775810 531839950 /nfs/dbraw/zinc/83/99/50/531839950.db2.gz FCLIFXADSCURMV-NEPJUHHUSA-N 1 0 398.301 1.660 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)NCCCC[NH3+])cc1Br ZINC000418533595 531830452 /nfs/dbraw/zinc/83/04/52/531830452.db2.gz VQQTYQRCHLYXBS-CYBMUJFWSA-N 1 0 388.306 1.647 20 0 GDADRO C[NH+](C)C1CC(NC(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000670401986 531831224 /nfs/dbraw/zinc/83/12/24/531831224.db2.gz GLMKLFUGTIAXMN-UHFFFAOYSA-N 1 0 386.265 1.917 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000418607058 531831556 /nfs/dbraw/zinc/83/15/56/531831556.db2.gz ZZGCVKNUAKZWHU-XJKCOSOUSA-N 1 0 384.318 1.897 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418574929 531832192 /nfs/dbraw/zinc/83/21/92/531832192.db2.gz MQQGFZQCGJEOQM-XNRPHZJLSA-N 1 0 384.318 1.897 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000367597002 531848807 /nfs/dbraw/zinc/84/88/07/531848807.db2.gz LCDLWVCYASOGIW-FPMFFAJLSA-N 1 0 387.527 1.395 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000418834647 531849047 /nfs/dbraw/zinc/84/90/47/531849047.db2.gz OXLTUZOBHMFVSH-BSLXNSKLSA-N 1 0 380.286 1.617 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C[C@@H]1C[NH3+] ZINC000418832707 531849123 /nfs/dbraw/zinc/84/91/23/531849123.db2.gz PZTFKEHSMBOPET-TWJWRFFLSA-N 1 0 394.313 1.865 20 0 GDADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000641698698 531849292 /nfs/dbraw/zinc/84/92/92/531849292.db2.gz ZWUNAIZNOWIJJH-UHFFFAOYSA-N 1 0 389.543 1.372 20 0 GDADRO CSc1ccccc1S(=O)(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000563528670 531850405 /nfs/dbraw/zinc/85/04/05/531850405.db2.gz XUBHWOPPINYLKY-UHFFFAOYSA-N 1 0 386.539 1.568 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418837404 531850717 /nfs/dbraw/zinc/85/07/17/531850717.db2.gz STXJURIVDINRMW-QLFBSQMISA-N 1 0 380.286 1.632 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418836635 531850866 /nfs/dbraw/zinc/85/08/66/531850866.db2.gz VACDIYNZFZVIRL-JHJVBQTASA-N 1 0 398.276 1.819 20 0 GDADRO CN(CCCC[NH+]1CCCCC1)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000641761143 531851615 /nfs/dbraw/zinc/85/16/15/531851615.db2.gz OQDOPWDDLUOQSY-UHFFFAOYSA-N 1 0 376.567 1.612 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000418841234 531852049 /nfs/dbraw/zinc/85/20/49/531852049.db2.gz GUOSSRFFFAFEBK-PXAZEXFGSA-N 1 0 382.302 1.694 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000563568775 531852124 /nfs/dbraw/zinc/85/21/24/531852124.db2.gz UNOPDAZNUOIAOV-KBPBESRZSA-N 1 0 396.333 1.231 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418848443 531853001 /nfs/dbraw/zinc/85/30/01/531853001.db2.gz YRXXPJMYLNMINL-JHJVBQTASA-N 1 0 382.302 1.705 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000418849462 531854352 /nfs/dbraw/zinc/85/43/52/531854352.db2.gz AZDAZINQJFDECW-LBPRGKRZSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000563568808 531854435 /nfs/dbraw/zinc/85/44/35/531854435.db2.gz WJAJEBWBKVLLQZ-QWHCGFSZSA-N 1 0 383.290 1.315 20 0 GDADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418799589 531841178 /nfs/dbraw/zinc/84/11/78/531841178.db2.gz APVGVJBOVQKTBV-BAESOJJISA-N 1 0 398.276 1.804 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000418790324 531841314 /nfs/dbraw/zinc/84/13/14/531841314.db2.gz XMYRYWVCLLSGGA-ZDUSSCGKSA-N 1 0 398.301 1.674 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cc(Br)sc2Cl)CCOCC1 ZINC000624387648 531841595 /nfs/dbraw/zinc/84/15/95/531841595.db2.gz XOMYPWDBBCJWQN-UHFFFAOYSA-N 1 0 389.724 1.950 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1F ZINC000367682346 531855241 /nfs/dbraw/zinc/85/52/41/531855241.db2.gz MNWDQKXFDXPPPS-OAHLLOKOSA-N 1 0 390.502 1.382 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000418800596 531842448 /nfs/dbraw/zinc/84/24/48/531842448.db2.gz BQWMSNKYQLSUAT-UHIISALHSA-N 1 0 384.249 1.381 20 0 GDADRO CC(C)[C@@H]1CN(S(=O)(=O)c2cnn3cc(Br)cnc23)CC[NH2+]1 ZINC000641621127 531842598 /nfs/dbraw/zinc/84/25/98/531842598.db2.gz CPEXFPJMCXVPKA-NSHDSACASA-N 1 0 388.291 1.110 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2Br)[C@H]1C[NH3+] ZINC000418810945 531844046 /nfs/dbraw/zinc/84/40/46/531844046.db2.gz HOQPFYCYFLLQOI-HZMBPMFUSA-N 1 0 386.265 1.790 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000418811409 531844080 /nfs/dbraw/zinc/84/40/80/531844080.db2.gz PZDIWQXCYGVQRW-OLUVUFQESA-N 1 0 384.249 1.381 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000418810314 531844869 /nfs/dbraw/zinc/84/48/69/531844869.db2.gz HGXPRYNOUVKGSV-CMPLNLGQSA-N 1 0 386.265 1.648 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3[nH]c4ccccc4c3Br)CCN2C1=O ZINC000563442776 531844959 /nfs/dbraw/zinc/84/49/59/531844959.db2.gz UAPUJZSCOKAFSH-ONGXEEELSA-N 1 0 377.242 1.314 20 0 GDADRO O=C(Nc1cc(Br)ccc1Br)C(=O)NC1C[NH2+]C1 ZINC000563478650 531845052 /nfs/dbraw/zinc/84/50/52/531845052.db2.gz HFKFHEKAGBJZEB-UHFFFAOYSA-N 1 0 377.036 1.238 20 0 GDADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000641624853 531845093 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JJGQHLKTSZHQOC-DLOVCJGASA-N 1 0 386.265 1.675 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418934516 531865835 /nfs/dbraw/zinc/86/58/35/531865835.db2.gz FVLZGIXBVAKCIR-FZMZJTMJSA-N 1 0 384.274 1.058 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000298229443 531867034 /nfs/dbraw/zinc/86/70/34/531867034.db2.gz AWCLIVSYFMZAMM-UHFFFAOYSA-N 1 0 380.436 1.921 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000367833368 531868915 /nfs/dbraw/zinc/86/89/15/531868915.db2.gz RNHTYISKOYHADB-CYBMUJFWSA-N 1 0 375.288 1.878 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418857030 531856116 /nfs/dbraw/zinc/85/61/16/531856116.db2.gz QWUHKXZODBSCAB-UONOGXRCSA-N 1 0 380.286 1.442 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418852953 531856455 /nfs/dbraw/zinc/85/64/55/531856455.db2.gz WIWLSOGKIDEWOZ-WDEREUQCSA-N 1 0 386.265 1.456 20 0 GDADRO Cc1noc(C)c1S(=O)(=O)NCC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000298137003 531856657 /nfs/dbraw/zinc/85/66/57/531856657.db2.gz MQWJBQUSYGIALO-LBPRGKRZSA-N 1 0 386.499 1.050 20 0 GDADRO O=S(=O)(NC[C@@H]1CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1)C1CC1 ZINC000563647694 531857948 /nfs/dbraw/zinc/85/79/48/531857948.db2.gz CKDXIEMXDGXMEG-NSHDSACASA-N 1 0 394.406 1.994 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc(Br)cn1 ZINC000418868187 531858245 /nfs/dbraw/zinc/85/82/45/531858245.db2.gz PLCDOSKNWXLLLI-GRYCIOLGSA-N 1 0 383.290 1.465 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418883379 531859654 /nfs/dbraw/zinc/85/96/54/531859654.db2.gz LGGCLUXCJAVYPL-LBPRGKRZSA-N 1 0 388.237 1.206 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418914514 531861552 /nfs/dbraw/zinc/86/15/52/531861552.db2.gz BDBJLZZKLIRWRE-UHFFFAOYSA-N 1 0 382.302 1.841 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CCO1 ZINC000418897272 531862152 /nfs/dbraw/zinc/86/21/52/531862152.db2.gz WUXFAJRDMRWFLE-JHJVBQTASA-N 1 0 386.279 1.542 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000642700805 531862218 /nfs/dbraw/zinc/86/22/18/531862218.db2.gz YKOHBWULTJPODG-LBPRGKRZSA-N 1 0 384.299 1.580 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2cc(Br)ccc2F)CC[NH2+]1 ZINC000418918322 531862832 /nfs/dbraw/zinc/86/28/32/531862832.db2.gz CMDYBGZUIAQXPG-MFKMUULPSA-N 1 0 386.265 1.504 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2ccc(OC)c(Br)c2)CC[C@H]1[NH3+] ZINC000642740767 531863854 /nfs/dbraw/zinc/86/38/54/531863854.db2.gz VKTBSCYTHIUFJN-GXTWGEPZSA-N 1 0 398.301 1.660 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000455152140 531863881 /nfs/dbraw/zinc/86/38/81/531863881.db2.gz JNUWVFAAOGPIDR-AWEZNQCLSA-N 1 0 399.333 1.984 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000418943537 531869196 /nfs/dbraw/zinc/86/91/96/531869196.db2.gz ZVFHCVPTTOBFCZ-GHMZBOCLSA-N 1 0 388.331 1.770 20 0 GDADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000367798892 531864901 /nfs/dbraw/zinc/86/49/01/531864901.db2.gz SCRBSHVALQNDSY-YPMHNXCESA-N 1 0 387.299 1.757 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCCn1cc(Br)cn1 ZINC000418947992 531870374 /nfs/dbraw/zinc/87/03/74/531870374.db2.gz BQYZXEBOPHJCDH-ZDUSSCGKSA-N 1 0 388.310 1.032 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418950514 531870426 /nfs/dbraw/zinc/87/04/26/531870426.db2.gz PCUXPBIZELZQCZ-NWDGAFQWSA-N 1 0 384.274 1.140 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1nnc(SC)s1)CC(C)C ZINC000283518626 531870477 /nfs/dbraw/zinc/87/04/77/531870477.db2.gz KALYBYXWTZMCOH-LBPRGKRZSA-N 1 0 387.575 1.749 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418955196 531872062 /nfs/dbraw/zinc/87/20/62/531872062.db2.gz UWQFDCAYOOBSQL-RISCZKNCSA-N 1 0 384.274 1.201 20 0 GDADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418964396 531873516 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CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ncc(Br)s3)CC2)C1=O ZINC000644892061 531878766 /nfs/dbraw/zinc/87/87/66/531878766.db2.gz JLYVQQXHQSXLSP-SNVBAGLBSA-N 1 0 387.303 1.331 20 0 GDADRO O=C(CCOC1C[NH2+]C1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000566098686 531880103 /nfs/dbraw/zinc/88/01/03/531880103.db2.gz NABSWRRVNIUOKX-UHFFFAOYSA-N 1 0 380.246 1.406 20 0 GDADRO C[C@H](OC[C@H](O)C[NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc(Cl)cc1 ZINC000566111655 531880245 /nfs/dbraw/zinc/88/02/45/531880245.db2.gz KQYXZMDUOXEOCQ-APHBMKBZSA-N 1 0 377.890 1.182 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000298370990 531881045 /nfs/dbraw/zinc/88/10/45/531881045.db2.gz FGBMYTGMZAMIIP-UHFFFAOYSA-N 1 0 391.921 1.045 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C1(C[NH3+])CCC1 ZINC000566250508 531881745 /nfs/dbraw/zinc/88/17/45/531881745.db2.gz HYPFSEXMOIXOBN-UHFFFAOYSA-N 1 0 380.297 1.612 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000419018689 531882016 /nfs/dbraw/zinc/88/20/16/531882016.db2.gz IERQTJRQRHWGHF-YIZWMMSDSA-N 1 0 396.285 1.775 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000419023691 531882960 /nfs/dbraw/zinc/88/29/60/531882960.db2.gz OZTFUUSMPKLUAZ-SCDSUCTJSA-N 1 0 396.285 1.646 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419027532 531883318 /nfs/dbraw/zinc/88/33/18/531883318.db2.gz WCLQVVFDIZZNLB-IAQYHMDHSA-N 1 0 382.302 1.740 20 0 GDADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000566728374 531893280 /nfs/dbraw/zinc/89/32/80/531893280.db2.gz NDEWDCMNMREQQH-VXGBXAGGSA-N 1 0 387.311 1.142 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419055298 531893808 /nfs/dbraw/zinc/89/38/08/531893808.db2.gz OAVPTUREBAPJFP-QWRGUYRKSA-N 1 0 386.265 1.456 20 0 GDADRO C[C@@H]([NH3+])CNS(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000647273440 531894010 /nfs/dbraw/zinc/89/40/10/531894010.db2.gz PXMGWTXDTQOWBL-RXMQYKEDSA-N 1 0 390.072 1.976 20 0 GDADRO O=C(NCc1cccc(Br)c1Cl)C(=O)NCC1=CC[NH2+]CC1 ZINC000419055871 531894210 /nfs/dbraw/zinc/89/42/10/531894210.db2.gz OUBRTJBOIUFEGA-UHFFFAOYSA-N 1 0 386.677 1.755 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000270570220 531894500 /nfs/dbraw/zinc/89/45/00/531894500.db2.gz GUCJODIPPUPRJD-CHWSQXEVSA-N 1 0 375.853 1.483 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419056351 531894674 /nfs/dbraw/zinc/89/46/74/531894674.db2.gz QUTSVRRRBVCATI-JSGCOSHPSA-N 1 0 384.318 1.858 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000419056531 531895380 /nfs/dbraw/zinc/89/53/80/531895380.db2.gz RJGBFLBLNHHZPW-GHMZBOCLSA-N 1 0 388.281 1.607 20 0 GDADRO CC(=O)N[C@@H](CC(=O)N[C@@H](CO)C[NH+](C)C)c1ccc(Br)cc1 ZINC000647710004 531895836 /nfs/dbraw/zinc/89/58/36/531895836.db2.gz HEGHFLJCYULYED-CABCVRRESA-N 1 0 386.290 1.055 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1sccc1S(=O)(=O)N1CCCC1 ZINC000298507263 531896100 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CCCC[C@H](C[NH3+])NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000647874711 531899216 /nfs/dbraw/zinc/89/92/16/531899216.db2.gz OTTJHDIBIBRFEA-GFCCVEGCSA-N 1 0 377.304 1.857 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)[C@@H](C)C[NH2+]1 ZINC000419036529 531886043 /nfs/dbraw/zinc/88/60/43/531886043.db2.gz BHELHZLQCRLNGG-UWVGGRQHSA-N 1 0 375.803 1.766 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC[NH2+]1 ZINC000419040132 531887521 /nfs/dbraw/zinc/88/75/21/531887521.db2.gz MDENYNFZEMOPCC-GXFFZTMASA-N 1 0 382.258 1.209 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000646023312 531887860 /nfs/dbraw/zinc/88/78/60/531887860.db2.gz RDCLRPURZOCIBA-MRXNPFEDSA-N 1 0 381.274 1.854 20 0 GDADRO C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000567609544 531899427 /nfs/dbraw/zinc/89/94/27/531899427.db2.gz PBXWYJSYCTXIKJ-SWLSCSKDSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000419042840 531888955 /nfs/dbraw/zinc/88/89/55/531888955.db2.gz MHRKINJRCPJMSG-MRXNPFEDSA-N 1 0 375.803 1.755 20 0 GDADRO COc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)nc1I ZINC000270533936 531889073 /nfs/dbraw/zinc/88/90/73/531889073.db2.gz VXJLFIRJBYIITO-SNVBAGLBSA-N 1 0 389.237 1.861 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCc2cc(F)ccc2Br)[C@H]1C[NH3+] ZINC000419157070 531905673 /nfs/dbraw/zinc/90/56/73/531905673.db2.gz KRGCXILCKBIIHZ-HZMBPMFUSA-N 1 0 386.265 1.790 20 0 GDADRO Cc1sc2nc(CS[C@@H](C)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH]c(=O)c2c1C ZINC000368369379 531906760 /nfs/dbraw/zinc/90/67/60/531906760.db2.gz IGPPQACUYFCIMM-KZWBYHQPSA-N 1 0 378.523 1.969 20 0 GDADRO O=C(NCc1ccc(Br)cc1C(F)(F)F)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419162791 531907286 /nfs/dbraw/zinc/90/72/86/531907286.db2.gz VFGTYTYXMKUUIO-JTQLQIEISA-N 1 0 394.191 1.562 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419164750 531907482 /nfs/dbraw/zinc/90/74/82/531907482.db2.gz MMPYQSBEFATBCR-LBPRGKRZSA-N 1 0 388.295 1.742 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368385700 531908478 /nfs/dbraw/zinc/90/84/78/531908478.db2.gz QBRJKMOBTCQGIT-STQMWFEESA-N 1 0 389.518 1.281 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568490960 531908499 /nfs/dbraw/zinc/90/84/99/531908499.db2.gz OGGZRZFGUDQPLL-UHFFFAOYSA-N 1 0 399.289 1.031 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419169385 531908894 /nfs/dbraw/zinc/90/88/94/531908894.db2.gz UOBXWAUGUAEQOA-JSGCOSHPSA-N 1 0 380.286 1.442 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1ccsc1 ZINC000298678445 531909192 /nfs/dbraw/zinc/90/91/92/531909192.db2.gz WNCOBQDLBJXMMK-CABCVRRESA-N 1 0 388.559 1.464 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000568510544 531909542 /nfs/dbraw/zinc/90/95/42/531909542.db2.gz REJWSFRVRQCDBJ-NSHDSACASA-N 1 0 384.274 1.686 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC([NH3+])C1 ZINC000568512885 531909844 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399.333 1.689 20 0 GDADRO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)CN1CCOCC1 ZINC000567605777 531900131 /nfs/dbraw/zinc/90/01/31/531900131.db2.gz DWMYEDYNBHBXBS-HOCLYGCPSA-N 1 0 387.318 1.747 20 0 GDADRO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)cc2)C[C@H](C)[N@H+]1CCO ZINC000456231597 531902161 /nfs/dbraw/zinc/90/21/61/531902161.db2.gz VRPGTQYEZIVEDC-BETUJISGSA-N 1 0 398.301 1.092 20 0 GDADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)COC1C[NH2+]C1 ZINC000567822310 531902322 /nfs/dbraw/zinc/90/23/22/531902322.db2.gz KMWVBUDWKHIZGA-UHFFFAOYSA-N 1 0 375.252 1.526 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419132042 531902710 /nfs/dbraw/zinc/90/27/10/531902710.db2.gz AQRSXENMRGRKMD-VBNZEHGJSA-N 1 0 394.313 1.960 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419132954 531902876 /nfs/dbraw/zinc/90/28/76/531902876.db2.gz CFLYSJPNWMDHQU-GASCZTMLSA-N 1 0 380.286 1.727 20 0 GDADRO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)[N@H+]1CCO ZINC000456231630 531903617 /nfs/dbraw/zinc/90/36/17/531903617.db2.gz VUNMARJFVJRTDR-TXEJJXNPSA-N 1 0 388.295 1.637 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)C[C@H](C)[NH2+]1 ZINC000419141841 531903917 /nfs/dbraw/zinc/90/39/17/531903917.db2.gz XPJFVFKZWRFDJR-AOOOYVTPSA-N 1 0 388.693 1.928 20 0 GDADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625547096 531904001 /nfs/dbraw/zinc/90/40/01/531904001.db2.gz GXCNMNURLOKMCX-INIZCTEOSA-N 1 0 382.302 1.772 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NCCCc1ccc(Br)cc1OC ZINC000419151371 531904341 /nfs/dbraw/zinc/90/43/41/531904341.db2.gz MJTADLPGUZOSBP-UHFFFAOYSA-N 1 0 386.290 1.232 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CCc3cccc(Cl)c3)CC2)C1 ZINC000368511575 531918515 /nfs/dbraw/zinc/91/85/15/531918515.db2.gz KYAHMUNCGAXYAW-GOSISDBHSA-N 1 0 385.961 1.924 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cc1Br ZINC000456511937 531919189 /nfs/dbraw/zinc/91/91/89/531919189.db2.gz ZSYXOTOZSMZDBF-AEGPPILISA-N 1 0 399.329 1.923 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419258181 531919361 /nfs/dbraw/zinc/91/93/61/531919361.db2.gz ZERVLSUBJYHOGS-PWSUYJOCSA-N 1 0 384.299 1.580 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419262520 531920121 /nfs/dbraw/zinc/92/01/21/531920121.db2.gz SSIAABYWHYTETQ-IUODEOHRSA-N 1 0 398.301 1.578 20 0 GDADRO COc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1Br ZINC000649080140 531920406 /nfs/dbraw/zinc/92/04/06/531920406.db2.gz RHJZPDHHRFPSIA-NSHDSACASA-N 1 0 384.274 1.650 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCOc2ccccc2Cl)CCSC1 ZINC000284016290 531921155 /nfs/dbraw/zinc/92/11/55/531921155.db2.gz JGXHQMCTRUNOPU-QGZVFWFLSA-N 1 0 385.917 1.389 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419302178 531922679 /nfs/dbraw/zinc/92/26/79/531922679.db2.gz PGRBHGZXYILIQM-UONOGXRCSA-N 1 0 394.313 1.750 20 0 GDADRO O=C(NCCc1nc2cc(Cl)ccc2s1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419310283 531923134 /nfs/dbraw/zinc/92/31/34/531923134.db2.gz AIPXEEMMVBYTLZ-NSHDSACASA-N 1 0 380.901 1.724 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000298823651 531925453 /nfs/dbraw/zinc/92/54/53/531925453.db2.gz QFALMXYJWWOLMU-UHFFFAOYSA-N 1 0 389.543 1.136 20 0 GDADRO NC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000270805201 531925573 /nfs/dbraw/zinc/92/55/73/531925573.db2.gz XDSBPYQYYRBCMZ-WDEREUQCSA-N 1 0 392.681 1.585 20 0 GDADRO O=C(NCCc1nc2cc(Cl)ccc2s1)C(=O)NCC1=CC[NH2+]CC1 ZINC000419340480 531926408 /nfs/dbraw/zinc/92/64/08/531926408.db2.gz WWJROSMTPWZYQK-UHFFFAOYSA-N 1 0 378.885 1.644 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3ccccc3Br)C[C@H]21 ZINC000419211897 531914540 /nfs/dbraw/zinc/91/45/40/531914540.db2.gz YMERNPOECVQBOU-IIAWOOMASA-N 1 0 394.313 1.694 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000648830283 531914618 /nfs/dbraw/zinc/91/46/18/531914618.db2.gz QCGDXUAUKQMTGG-JQWIXIFHSA-N 1 0 375.288 1.466 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000419208600 531914717 /nfs/dbraw/zinc/91/47/17/531914717.db2.gz RHIVLCAJHCNNGK-BXUZGUMPSA-N 1 0 398.301 1.660 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000419208603 531915003 /nfs/dbraw/zinc/91/50/03/531915003.db2.gz RHIVLCAJHCNNGK-SMDDNHRTSA-N 1 0 398.301 1.660 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419208602 531915138 /nfs/dbraw/zinc/91/51/38/531915138.db2.gz RHIVLCAJHCNNGK-RISCZKNCSA-N 1 0 398.301 1.660 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419211024 531915253 /nfs/dbraw/zinc/91/52/53/531915253.db2.gz WOFHFPXMXKLIGL-MNOVXSKESA-N 1 0 384.274 1.283 20 0 GDADRO O=C(CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CC[NH2+]CC1 ZINC000568734690 531915551 /nfs/dbraw/zinc/91/55/51/531915551.db2.gz QPTOHXDVBOZYGH-UHFFFAOYSA-N 1 0 393.658 1.133 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)CC[NH2+]1 ZINC000419248093 531916947 /nfs/dbraw/zinc/91/69/47/531916947.db2.gz NZGVXAOEJLXGCN-GFCCVEGCSA-N 1 0 398.326 1.923 20 0 GDADRO CC[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])Cc1cccc(Br)c1 ZINC000419352612 531928863 /nfs/dbraw/zinc/92/88/63/531928863.db2.gz ANDCOMPEOATGJM-STQMWFEESA-N 1 0 384.318 1.940 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000419364322 531930165 /nfs/dbraw/zinc/93/01/65/531930165.db2.gz PVZRNIYKIHFCCE-IUODEOHRSA-N 1 0 382.302 1.612 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000298842894 531930286 /nfs/dbraw/zinc/93/02/86/531930286.db2.gz IRZBLGJEYLVFCM-UKRRQHHQSA-N 1 0 381.523 1.834 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]Cc1cccc(I)c1 ZINC000284118578 531930971 /nfs/dbraw/zinc/93/09/71/531930971.db2.gz XIXQAFMOUFTEIA-UHFFFAOYSA-N 1 0 382.267 1.710 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419406537 531931645 /nfs/dbraw/zinc/93/16/45/531931645.db2.gz VBAMPVDCXXKLAQ-MFKMUULPSA-N 1 0 389.283 1.612 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000456719384 531932372 /nfs/dbraw/zinc/93/23/72/531932372.db2.gz LOBZLPYOXFSAPZ-WWGRRREGSA-N 1 0 399.329 1.923 20 0 GDADRO O=C(CC[NH2+]C[C@H]1CCCS1(=O)=O)Nc1cccc(Br)c1 ZINC000570081874 531933421 /nfs/dbraw/zinc/93/34/21/531933421.db2.gz LDMUXCBQJMOEJH-CYBMUJFWSA-N 1 0 375.288 1.945 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1Br ZINC000419449542 531933714 /nfs/dbraw/zinc/93/37/14/531933714.db2.gz YBADKPVDZIEBAY-UHFFFAOYSA-N 1 0 386.290 1.517 20 0 GDADRO C[NH+]1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)CC1 ZINC000270871709 531935017 /nfs/dbraw/zinc/93/50/17/531935017.db2.gz LSTNMQMEBZIUPS-HNNXBMFYSA-N 1 0 395.301 1.726 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419473484 531935363 /nfs/dbraw/zinc/93/53/63/531935363.db2.gz DBABASIWGANACG-GHMZBOCLSA-N 1 0 386.265 1.443 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)[C@@H]1C[NH3+] ZINC000419569600 531936475 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20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000626863419 531938998 /nfs/dbraw/zinc/93/89/98/531938998.db2.gz HZFWGULYLYERLT-WDEREUQCSA-N 1 0 376.201 1.923 20 0 GDADRO Cc1nn(C)c(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1Br ZINC000369092399 531940791 /nfs/dbraw/zinc/94/07/91/531940791.db2.gz OFBNBBVNZSHDBH-GFCCVEGCSA-N 1 0 392.301 1.958 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)Oc1cccc(Br)c1 ZINC000419609699 531941487 /nfs/dbraw/zinc/94/14/87/531941487.db2.gz JJGDKFZYOHKQDV-LLVKDONJSA-N 1 0 384.274 1.330 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570868921 531942660 /nfs/dbraw/zinc/94/26/60/531942660.db2.gz ZJVWHDQTXOSQAP-UGFHNGPFSA-N 1 0 395.301 1.334 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000419620400 531942808 /nfs/dbraw/zinc/94/28/08/531942808.db2.gz QRTJQGFJVHMKGG-GXTWGEPZSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)Oc1cccc(Br)c1 ZINC000419614114 531942920 /nfs/dbraw/zinc/94/29/20/531942920.db2.gz OGOUXBSSHMOEKH-FRRDWIJNSA-N 1 0 398.301 1.541 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)Oc1cccc(Br)c1 ZINC000419623612 531943667 /nfs/dbraw/zinc/94/36/67/531943667.db2.gz UODQXKVHIXVMSY-MBNYWOFBSA-N 1 0 398.301 1.576 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000419624138 531943723 /nfs/dbraw/zinc/94/37/23/531943723.db2.gz VDVZLDZEQMCJLB-LBPRGKRZSA-N 1 0 396.285 1.369 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000570938124 531943961 /nfs/dbraw/zinc/94/39/61/531943961.db2.gz DCCWCHOAXRMMAQ-LSDHHAIUSA-N 1 0 388.555 1.456 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)Oc1ccc(Br)cc1 ZINC000419624179 531944060 /nfs/dbraw/zinc/94/40/60/531944060.db2.gz VIAMHNTXDIXNQI-MBNYWOFBSA-N 1 0 398.301 1.589 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000570938123 531944100 /nfs/dbraw/zinc/94/41/00/531944100.db2.gz DCCWCHOAXRMMAQ-HUUCEWRRSA-N 1 0 388.555 1.456 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000419627165 531944709 /nfs/dbraw/zinc/94/47/09/531944709.db2.gz XUSGTNMBURNSOT-SJKOYZFVSA-N 1 0 398.301 1.530 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000419627149 531944870 /nfs/dbraw/zinc/94/48/70/531944870.db2.gz XUJXBVBKILEOSO-OCCSQVGLSA-N 1 0 398.301 1.543 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2c(I)cnn2C)C1 ZINC000457083672 531945075 /nfs/dbraw/zinc/94/50/75/531945075.db2.gz GBPUAYQIJLLGQX-SNVBAGLBSA-N 1 0 376.242 1.579 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000419628840 531946580 /nfs/dbraw/zinc/94/65/80/531946580.db2.gz ZTWGTFVSAHQQMN-YNEHKIRRSA-N 1 0 398.301 1.528 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000419654362 531947972 /nfs/dbraw/zinc/94/79/72/531947972.db2.gz WYODTOYCXGZYSV-VHSXEESVSA-N 1 0 378.420 1.454 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000419654364 531948278 /nfs/dbraw/zinc/94/82/78/531948278.db2.gz WYODTOYCXGZYSV-ZJUUUORDSA-N 1 0 378.420 1.454 20 0 GDADRO COc1ccc(Br)cc1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000571074003 531949252 /nfs/dbraw/zinc/94/92/52/531949252.db2.gz SUHXHBLTKWTZEK-CYBMUJFWSA-N 1 0 398.301 1.917 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H](C)CC[NH2+]3)CC2)c(C)s1 ZINC000571073354 531950151 /nfs/dbraw/zinc/95/01/51/531950151.db2.gz XJCNHQKDSMFVMU-IUODEOHRSA-N 1 0 385.555 1.586 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000627395527 531950942 /nfs/dbraw/zinc/95/09/42/531950942.db2.gz MONGCPJNCJYPGC-NEPJUHHUSA-N 1 0 377.794 1.942 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419669999 531950945 /nfs/dbraw/zinc/95/09/45/531950945.db2.gz CFPWJDWXCHRUNI-IINYFYTJSA-N 1 0 393.285 1.661 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419670003 531951411 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C[NH+](C)CC(C)(C)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000457228715 531951948 /nfs/dbraw/zinc/95/19/48/531951948.db2.gz XYGDASHKXBRITJ-UHFFFAOYSA-N 1 0 381.420 1.440 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000627455894 531952659 /nfs/dbraw/zinc/95/26/59/531952659.db2.gz PYTHRKLPMLJNFB-SNVBAGLBSA-N 1 0 399.289 1.055 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)CC[NH2+]1 ZINC000419680016 531953200 /nfs/dbraw/zinc/95/32/00/531953200.db2.gz RNNJNXQICQZGTF-JTQLQIEISA-N 1 0 379.258 1.367 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000627457056 531953205 /nfs/dbraw/zinc/95/32/05/531953205.db2.gz IXGHQNOCOPERFZ-LSDHHAIUSA-N 1 0 398.276 1.730 20 0 GDADRO CSC1(CNC(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)CC[NH+](C)CC1 ZINC000597669736 531953448 /nfs/dbraw/zinc/95/34/48/531953448.db2.gz YHMWAWINRYFMCP-INIZCTEOSA-N 1 0 384.567 1.758 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419679109 531953595 /nfs/dbraw/zinc/95/35/95/531953595.db2.gz QCPPQPRNMAZBSA-JTQLQIEISA-N 1 0 379.258 1.367 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC000627476442 531954250 /nfs/dbraw/zinc/95/42/50/531954250.db2.gz FNVDMRHJRSBRDU-OCCSQVGLSA-N 1 0 394.313 1.899 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cncc(I)c2)C[C@@H]1[NH+](C)C ZINC000271014898 531955026 /nfs/dbraw/zinc/95/50/26/531955026.db2.gz HGBXNFFYQIGZLO-NWDGAFQWSA-N 1 0 391.278 1.804 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2ccc(Br)s2)CC1 ZINC000419687309 531956128 /nfs/dbraw/zinc/95/61/28/531956128.db2.gz DMXGYHDYWACXQW-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000419756560 531966324 /nfs/dbraw/zinc/96/63/24/531966324.db2.gz GRQUWZCYBJUKNT-YPMHNXCESA-N 1 0 385.295 1.496 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271104371 531966338 /nfs/dbraw/zinc/96/63/38/531966338.db2.gz LZOYUVQXNWQTIB-WCQYABFASA-N 1 0 389.905 1.165 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419757498 531966414 /nfs/dbraw/zinc/96/64/14/531966414.db2.gz IUGAQQYKRUBMIV-UHFFFAOYSA-N 1 0 384.210 1.889 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000419756530 531967000 /nfs/dbraw/zinc/96/70/00/531967000.db2.gz GLZBWVPRZSCQPS-TZMCWYRMSA-N 1 0 385.295 1.542 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419776355 531967375 /nfs/dbraw/zinc/96/73/75/531967375.db2.gz KGEWICQCVNNGQA-DGCLKSJQSA-N 1 0 398.301 1.893 20 0 GDADRO COC(=O)c1ccc(F)cc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000271124758 531969193 /nfs/dbraw/zinc/96/91/93/531969193.db2.gz TUKUSOUQVUCTHU-CHWSQXEVSA-N 1 0 376.475 1.278 20 0 GDADRO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419785188 531969477 /nfs/dbraw/zinc/96/94/77/531969477.db2.gz WJFQBCJDJJXEKK-KGLIPLIRSA-N 1 0 384.249 1.634 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000419786031 531970377 /nfs/dbraw/zinc/97/03/77/531970377.db2.gz XXDLHVMSFMODGT-KBPBESRZSA-N 1 0 384.249 1.715 20 0 GDADRO CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000572848205 531971251 /nfs/dbraw/zinc/97/12/51/531971251.db2.gz YOEOGRGDWIMALN-KBPBESRZSA-N 1 0 386.543 1.152 20 0 GDADRO COc1cc(C[NH2+][C@H](CO)[C@@H](C)O)cc(I)c1OC ZINC000419811672 531971913 /nfs/dbraw/zinc/97/19/13/531971913.db2.gz MFBIIIYPIMKJFD-LDYMZIIASA-N 1 0 381.210 1.140 20 0 GDADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000655780230 531974756 /nfs/dbraw/zinc/97/47/56/531974756.db2.gz HTANPYFMNWKRLC-MRXNPFEDSA-N 1 0 391.273 1.685 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000419826468 531975084 /nfs/dbraw/zinc/97/50/84/531975084.db2.gz ADNGYHIMKDZBDJ-CYBMUJFWSA-N 1 0 375.416 1.787 20 0 GDADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C(=O)NCCC[NH3+] ZINC000419832881 531975555 /nfs/dbraw/zinc/97/55/55/531975555.db2.gz KMZRGTKVNICGAB-ZDUSSCGKSA-N 1 0 384.274 1.586 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]C2CCN([C@H]3CCOC3)CC2)c(C)s1 ZINC000655734849 531975927 /nfs/dbraw/zinc/97/59/27/531975927.db2.gz NZVOZHMNRZBWTF-INIZCTEOSA-N 1 0 387.571 1.486 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000419850064 531978317 /nfs/dbraw/zinc/97/83/17/531978317.db2.gz ZTIQEXMMJNPHPT-LSDHHAIUSA-N 1 0 396.285 1.217 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C(F)(F)F ZINC000572347455 531964278 /nfs/dbraw/zinc/96/42/78/531964278.db2.gz VZGFQKJGPTWUCK-IWIIMEHWSA-N 1 0 377.388 1.126 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000572352315 531964433 /nfs/dbraw/zinc/96/44/33/531964433.db2.gz HONYAUXREHQYKW-CYBMUJFWSA-N 1 0 379.258 1.948 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000419984100 531993136 /nfs/dbraw/zinc/99/31/36/531993136.db2.gz CVODPRATEDSMER-IUODEOHRSA-N 1 0 397.317 1.706 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000420001406 531994211 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GDADRO COC(=O)C1(CS(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)CCC1 ZINC000573414508 531983370 /nfs/dbraw/zinc/98/33/70/531983370.db2.gz HTIARSDEBBOVQR-KBPBESRZSA-N 1 0 376.544 1.171 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419901613 531983711 /nfs/dbraw/zinc/98/37/11/531983711.db2.gz USJJANJHQBDZIP-CABCVRRESA-N 1 0 382.302 1.836 20 0 GDADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000573392828 531983721 /nfs/dbraw/zinc/98/37/21/531983721.db2.gz QIQNAGQYDIEQSA-KBPBESRZSA-N 1 0 384.464 1.934 20 0 GDADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000656937126 531984322 /nfs/dbraw/zinc/98/43/22/531984322.db2.gz FYBVDDWSFCJICZ-STQMWFEESA-N 1 0 385.452 1.143 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000573431371 531985239 /nfs/dbraw/zinc/98/52/39/531985239.db2.gz LNZRORCRSKHXLQ-HOTGVXAUSA-N 1 0 385.555 1.722 20 0 GDADRO C[C@@H]1SCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1C 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MJUWQOLPBXFCDN-OTYXRUKQSA-N 1 0 392.258 1.743 20 0 GDADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000419961366 531990888 /nfs/dbraw/zinc/99/08/88/531990888.db2.gz YRWOYBIPUHQURG-UKRRQHHQSA-N 1 0 395.301 1.766 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000598665566 531991356 /nfs/dbraw/zinc/99/13/56/531991356.db2.gz QYXMSJZSRQWAKD-LLVKDONJSA-N 1 0 385.214 1.155 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000419961719 531991746 /nfs/dbraw/zinc/99/17/46/531991746.db2.gz SVVPLGJAAYWKNV-OAHLLOKOSA-N 1 0 382.302 1.823 20 0 GDADRO Cc1cc(C2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)ccc1Br ZINC000420027886 531998037 /nfs/dbraw/zinc/99/80/37/531998037.db2.gz LVHYIJIDZSLSBB-LBPRGKRZSA-N 1 0 382.302 1.927 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)ccc1Cl ZINC000631090390 531998061 /nfs/dbraw/zinc/99/80/61/531998061.db2.gz RCLYXBQSIHRYLF-CVEARBPZSA-N 1 0 387.933 1.720 20 0 GDADRO Brc1cnn(CCCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC000631123318 531999298 /nfs/dbraw/zinc/99/92/98/531999298.db2.gz FUWNSZASOVIIDJ-CYBMUJFWSA-N 1 0 383.294 1.844 20 0 GDADRO O=C1CCC(=O)N1CCC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000574869616 531999809 /nfs/dbraw/zinc/99/98/09/531999809.db2.gz XUMSWYLYXUMSGT-ZDUSSCGKSA-N 1 0 385.258 1.318 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000420106695 532002252 /nfs/dbraw/zinc/00/22/52/532002252.db2.gz UZCSFELZGSDSMH-IAQYHMDHSA-N 1 0 380.286 1.448 20 0 GDADRO CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000420095440 532001117 /nfs/dbraw/zinc/00/11/17/532001117.db2.gz SPPAPATYXWANHO-CYBMUJFWSA-N 1 0 396.285 1.729 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420124591 532003745 /nfs/dbraw/zinc/00/37/45/532003745.db2.gz PYBSGFSSOVIXFP-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO COC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000599101683 532004697 /nfs/dbraw/zinc/00/46/97/532004697.db2.gz NYKVYQNSUSJOKU-WCQYABFASA-N 1 0 380.388 1.621 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1F ZINC000599099659 532004806 /nfs/dbraw/zinc/00/48/06/532004806.db2.gz IPNBZQQSQJRHAU-GXFFZTMASA-N 1 0 376.425 1.889 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420141630 532005860 /nfs/dbraw/zinc/00/58/60/532005860.db2.gz JQMCQUXIZGZMHZ-SMDDNHRTSA-N 1 0 398.301 1.530 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657529785 532006968 /nfs/dbraw/zinc/00/69/68/532006968.db2.gz ZQOQAYILAKXXEI-UHFFFAOYSA-N 1 0 390.253 1.611 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420133731 532006474 /nfs/dbraw/zinc/00/64/74/532006474.db2.gz CWEGLHNEFHLRIR-IAQYHMDHSA-N 1 0 382.302 1.830 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000420141211 532006508 /nfs/dbraw/zinc/00/65/08/532006508.db2.gz ZAUUPFUIEYJMLN-GWCFXTLKSA-N 1 0 384.274 1.455 20 0 GDADRO COC[C@H](C)Oc1ccc(C[NH2+]CCS(=O)(=O)N2CCSCC2)cc1 ZINC000657353210 532005248 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COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000420468300 532020270 /nfs/dbraw/zinc/02/02/70/532020270.db2.gz UDKRUMKVCYZQNJ-LLVKDONJSA-N 1 0 377.413 1.305 20 0 GDADRO Cc1c(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000420468595 532020576 /nfs/dbraw/zinc/02/05/76/532020576.db2.gz GMACCHWMHGQXKG-HNNXBMFYSA-N 1 0 384.889 1.572 20 0 GDADRO [NH3+]CC[C@H](NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br)C(F)F ZINC000420470254 532020608 /nfs/dbraw/zinc/02/06/08/532020608.db2.gz WOKUXWJCXHBSTJ-LURJTMIESA-N 1 0 399.217 1.292 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)c3cc(F)c(F)c(F)c3)C2)nn1 ZINC000420484721 532021798 /nfs/dbraw/zinc/02/17/98/532021798.db2.gz YLQUHFWJFFYBKC-JTQLQIEISA-N 1 0 375.376 1.180 20 0 GDADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)ccc1S(C)(=O)=O ZINC000271539131 532024169 /nfs/dbraw/zinc/02/41/69/532024169.db2.gz SJWBYDMWTUPJAP-TZMCWYRMSA-N 1 0 390.527 1.173 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1)[C@H](C)[NH3+] ZINC000576703426 532027101 /nfs/dbraw/zinc/02/71/01/532027101.db2.gz SCTLMPOMXLHMBZ-DTWKUNHWSA-N 1 0 398.312 1.474 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000285059818 532026033 /nfs/dbraw/zinc/02/60/33/532026033.db2.gz VYUBCBTXBRFEAK-CQSZACIVSA-N 1 0 396.285 1.599 20 0 GDADRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000271593280 532029067 /nfs/dbraw/zinc/02/90/67/532029067.db2.gz RZPFICDRAVCQSB-NSHDSACASA-N 1 0 375.516 1.355 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000301281716 532031299 /nfs/dbraw/zinc/03/12/99/532031299.db2.gz KFPBVRBGALIRMV-GFCCVEGCSA-N 1 0 394.321 1.342 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)CCOCC1 ZINC000420681921 532038110 /nfs/dbraw/zinc/03/81/10/532038110.db2.gz TVRHDLYOOJEGCV-UHFFFAOYSA-N 1 0 382.404 1.816 20 0 GDADRO Cn1c(Cl)c(Cl)cc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372606158 532036084 /nfs/dbraw/zinc/03/60/84/532036084.db2.gz NWVVHURIHKBPET-LBPRGKRZSA-N 1 0 375.300 1.468 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3cc(F)cc(Br)c3)CCN2C1=O ZINC000577412093 532036520 /nfs/dbraw/zinc/03/65/20/532036520.db2.gz QQQJRERSSSRPPQ-OLZOCXBDSA-N 1 0 385.237 1.042 20 0 GDADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599664646 532036572 /nfs/dbraw/zinc/03/65/72/532036572.db2.gz FAOKTDYRWQMHQF-YGRLFVJLSA-N 1 0 392.283 1.867 20 0 GDADRO CSCC[C@H](NC(N)=O)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000599998875 532039478 /nfs/dbraw/zinc/03/94/78/532039478.db2.gz JLWUMKLSGWGGQP-LBPRGKRZSA-N 1 0 384.468 1.652 20 0 GDADRO CC[C@H](CS(=O)(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OC ZINC000420681369 532038466 /nfs/dbraw/zinc/03/84/66/532038466.db2.gz ZBCSVHOYWZVRHU-SOLBZPMBSA-N 1 0 376.563 1.953 20 0 GDADRO COC(=O)c1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000271688690 532041373 /nfs/dbraw/zinc/04/13/73/532041373.db2.gz JXRBEUHZVWUOQB-GFCCVEGCSA-N 1 0 399.289 1.603 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000285176525 532041514 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1.942 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000463062008 532051171 /nfs/dbraw/zinc/05/11/71/532051171.db2.gz MQSBDRIGKXFBEX-JKSUJKDBSA-N 1 0 376.567 1.610 20 0 GDADRO CN(CCOCC[NH3+])CC(=O)Nc1ccc(I)cc1 ZINC000600736352 532052421 /nfs/dbraw/zinc/05/24/21/532052421.db2.gz XVGDXFCNMCUCHV-UHFFFAOYSA-N 1 0 377.226 1.137 20 0 GDADRO O[C@@H](CNCCOc1ccc(I)cc1)C[NH+]1CCCC1 ZINC000600740612 532053450 /nfs/dbraw/zinc/05/34/50/532053450.db2.gz JQTINIDHXXXVKY-AWEZNQCLSA-N 1 0 390.265 1.716 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(c3nccc(-c4ccc(Br)cc4)n3)CCN2C1=O ZINC000600949046 532054659 /nfs/dbraw/zinc/05/46/59/532054659.db2.gz YSMYBHGOLGVIEU-KBPBESRZSA-N 1 0 388.269 1.654 20 0 GDADRO O[C@H](C[NH2+]CCCCn1cc(Br)cn1)CC1(O)CCOCC1 ZINC000634712657 532055722 /nfs/dbraw/zinc/05/57/22/532055722.db2.gz JXNVEHWEEFDSJP-AWEZNQCLSA-N 1 0 376.295 1.308 20 0 GDADRO O=S(=O)(NCCC[NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccccc1Cl ZINC000634980110 532057384 /nfs/dbraw/zinc/05/73/84/532057384.db2.gz 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382.302 1.708 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)s1 ZINC000285314758 532066621 /nfs/dbraw/zinc/06/66/21/532066621.db2.gz DOCVGJPGSSTCHJ-BDJLRTHQSA-N 1 0 385.559 1.503 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cn2ccc(Br)cc2n1 ZINC000285334617 532069934 /nfs/dbraw/zinc/06/99/34/532069934.db2.gz CFGJBMXNLQJOPY-GFCCVEGCSA-N 1 0 380.290 1.463 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422882790 532069521 /nfs/dbraw/zinc/06/95/21/532069521.db2.gz TZAHLUGSXPWHHK-LSDHHAIUSA-N 1 0 398.301 1.452 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CCSC1 ZINC000285331945 532068048 /nfs/dbraw/zinc/06/80/48/532068048.db2.gz SEJNAOQGWCBMAO-GFCCVEGCSA-N 1 0 382.433 1.654 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCCN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000423111224 532071979 /nfs/dbraw/zinc/07/19/79/532071979.db2.gz QGWKCYKESQRZTO-OLZOCXBDSA-N 1 0 376.320 1.505 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000423108433 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GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000581077513 532076990 /nfs/dbraw/zinc/07/69/90/532076990.db2.gz LJAUUAPIZDOIAE-CYBMUJFWSA-N 1 0 381.420 1.771 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)c(F)c2)C1 ZINC000423501294 532077037 /nfs/dbraw/zinc/07/70/37/532077037.db2.gz JIMOIXXQLUEVAJ-GFCCVEGCSA-N 1 0 386.265 1.615 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC000423511006 532077107 /nfs/dbraw/zinc/07/71/07/532077107.db2.gz NAXKUCNCNKAKRY-HNNXBMFYSA-N 1 0 380.286 1.747 20 0 GDADRO COC(=O)[C@]1(NC(=O)CCC2C[NH2+]C2)CCc2cc(Br)ccc2C1 ZINC000602543402 532080371 /nfs/dbraw/zinc/08/03/71/532080371.db2.gz HUJOAJAHKSZSGJ-SFHVURJKSA-N 1 0 395.297 1.965 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000423741780 532080604 /nfs/dbraw/zinc/08/06/04/532080604.db2.gz TUOKEUMJVLHCFJ-DOMZBBRYSA-N 1 0 382.302 1.646 20 0 GDADRO C[S@](=O)C1(C(=O)N2CCc3sc(Br)cc3C2)CC[NH2+]CC1 ZINC000602520504 532079121 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Ic1cnc(N2CC[NH+](CCC[C@H]3CCO3)CC2)nc1 ZINC000602734541 532082502 /nfs/dbraw/zinc/08/25/02/532082502.db2.gz QXSLUIWVUPZQTA-ZDUSSCGKSA-N 1 0 388.253 1.772 20 0 GDADRO COC(=O)CNC(=O)C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000602745777 532082588 /nfs/dbraw/zinc/08/25/88/532082588.db2.gz ACUCMLWLXXJBJT-UHFFFAOYSA-N 1 0 383.164 1.847 20 0 GDADRO CN(CCC[NH3+])Cc1cn(CC(=O)Nc2ccc(Br)cc2F)nn1 ZINC000327993410 532087972 /nfs/dbraw/zinc/08/79/72/532087972.db2.gz LXFCLLIMCYCPKP-UHFFFAOYSA-N 1 0 399.268 1.599 20 0 GDADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)CC[NH2+]CC2 ZINC000424395734 532090744 /nfs/dbraw/zinc/09/07/44/532090744.db2.gz WBZVWMCXWXBYSN-CQSZACIVSA-N 1 0 386.539 1.384 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000424396540 532091065 /nfs/dbraw/zinc/09/10/65/532091065.db2.gz XRWJYTJZHJSBFT-ZDUSSCGKSA-N 1 0 385.555 1.579 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000285522901 532091434 /nfs/dbraw/zinc/09/14/34/532091434.db2.gz 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C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333135411 532220900 /nfs/dbraw/zinc/22/09/00/532220900.db2.gz CGHJDKBANVEXPN-LLVKDONJSA-N 1 0 386.265 1.903 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000429023040 532222159 /nfs/dbraw/zinc/22/21/59/532222159.db2.gz DMDFBCFIMSPXNH-MNOVXSKESA-N 1 0 377.304 1.712 20 0 GDADRO CC[NH2+]CCNC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000429094865 532223176 /nfs/dbraw/zinc/22/31/76/532223176.db2.gz FWYVSYRWZNDEMQ-GFCCVEGCSA-N 1 0 398.301 1.642 20 0 GDADRO O=C(Nc1nc2c(s1)CSCC2)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000376676399 532224207 /nfs/dbraw/zinc/22/42/07/532224207.db2.gz AOUCFLZIDMHNPV-LBPRGKRZSA-N 1 0 380.539 1.958 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1ccsc1Br ZINC000287569813 532224389 /nfs/dbraw/zinc/22/43/89/532224389.db2.gz LMUMBLFFBLSFOW-CMPLNLGQSA-N 1 0 388.331 1.925 20 0 GDADRO CCSCc1cc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)no1 ZINC000274700605 532226212 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532258536 /nfs/dbraw/zinc/25/85/36/532258536.db2.gz PXVQYUVDXGCWLQ-STQMWFEESA-N 1 0 386.327 1.719 20 0 GDADRO C[NH2+]C[C@H]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000430943232 532258880 /nfs/dbraw/zinc/25/88/80/532258880.db2.gz HBXJKWFKHOFWMQ-GFCCVEGCSA-N 1 0 388.921 1.070 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000431052353 532259944 /nfs/dbraw/zinc/25/99/44/532259944.db2.gz WJMAOMHKWURDSN-CZUORRHYSA-N 1 0 382.302 1.770 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000288058951 532261230 /nfs/dbraw/zinc/26/12/30/532261230.db2.gz FLTVJHWDWWGKTE-UHFFFAOYSA-N 1 0 380.436 1.968 20 0 GDADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)S(=O)(=O)C[C@H]1CCOC1 ZINC000431275764 532263247 /nfs/dbraw/zinc/26/32/47/532263247.db2.gz RZPKNSVVHPYOHX-JKSUJKDBSA-N 1 0 376.519 1.092 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000431510232 532267209 /nfs/dbraw/zinc/26/72/09/532267209.db2.gz XYKVHGNEERPRMI-HNNXBMFYSA-N 1 0 381.523 1.965 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000377682564 532269539 /nfs/dbraw/zinc/26/95/39/532269539.db2.gz YTQHCEYGZBOWDW-IAGOWNOFSA-N 1 0 389.949 1.631 20 0 GDADRO O=S(=O)(c1cccnc1C(F)(F)F)N1CC[C@H](CN2CCOCC2)C1 ZINC000288270451 532277651 /nfs/dbraw/zinc/27/76/51/532277651.db2.gz UNNXFDIPXXNYEZ-GFCCVEGCSA-N 1 0 379.404 1.443 20 0 GDADRO CN1CCN(C(=O)CC[N@H+](C)[C@H](CO)c2cccc(Br)c2)CC1 ZINC000275218974 532277841 /nfs/dbraw/zinc/27/78/41/532277841.db2.gz JKZWGELYWOQAEP-MRXNPFEDSA-N 1 0 384.318 1.578 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378230942 532283854 /nfs/dbraw/zinc/28/38/54/532283854.db2.gz QYHJFXVPVUTUKM-HOCLYGCPSA-N 1 0 386.539 1.551 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccc(Br)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378438497 532287138 /nfs/dbraw/zinc/28/71/38/532287138.db2.gz JKFPTVTUJFJTCW-HIFRSBDPSA-N 1 0 381.318 1.942 20 0 GDADRO CS[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000275338554 532287612 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Cn1nc(Br)cc1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000288647036 532300957 /nfs/dbraw/zinc/30/09/57/532300957.db2.gz DQJPPNJHHONUSB-UHFFFAOYSA-N 1 0 396.289 1.838 20 0 GDADRO O=C1NC(=O)C2(CC[NH+](CCOc3cc(F)cc(Br)c3)CC2)N1 ZINC000275590403 532301388 /nfs/dbraw/zinc/30/13/88/532301388.db2.gz JJTBVBMXDJPVBJ-UHFFFAOYSA-N 1 0 386.221 1.641 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000275741989 532308583 /nfs/dbraw/zinc/30/85/83/532308583.db2.gz ZOYILBUEGUWQEJ-CQSZACIVSA-N 1 0 377.304 1.589 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2csc(I)c2)CC1 ZINC000397594975 532303191 /nfs/dbraw/zinc/30/31/91/532303191.db2.gz OYKHAXDLXIZPGB-UHFFFAOYSA-N 1 0 380.251 1.539 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Br)cn1 ZINC000288714357 532304623 /nfs/dbraw/zinc/30/46/23/532304623.db2.gz XSORFECOVBCWNN-ZETOZRRWSA-N 1 0 395.301 1.620 20 0 GDADRO CO[C@@]1(CO)CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000401774144 532304680 /nfs/dbraw/zinc/30/46/80/532304680.db2.gz LJCGPEZJYDMCJO-INIZCTEOSA-N 1 0 382.258 1.430 20 0 GDADRO COC1(CO)CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000401833807 532304862 /nfs/dbraw/zinc/30/48/62/532304862.db2.gz HEMVRNBLEOVAKF-UHFFFAOYSA-N 1 0 382.258 1.430 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cc(OC)c(OC)cc1Br ZINC000288749881 532306409 /nfs/dbraw/zinc/30/64/09/532306409.db2.gz NDABNTLSHUYLJI-SECBINFHSA-N 1 0 375.219 1.685 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000275863035 532313128 /nfs/dbraw/zinc/31/31/28/532313128.db2.gz IYJJPEKUTONDKD-UHFFFAOYSA-N 1 0 382.511 1.699 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000289331122 532321638 /nfs/dbraw/zinc/32/16/38/532321638.db2.gz YDXNZRXOFCOOSK-VHSXEESVSA-N 1 0 378.420 1.892 20 0 GDADRO CCS(=O)(=O)CCCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000276410954 532328909 /nfs/dbraw/zinc/32/89/09/532328909.db2.gz MFFJGQQCQZORHK-CQSZACIVSA-N 1 0 376.544 1.850 20 0 GDADRO O=C(NCCNC(=O)C12CCC[NH+]1CCC2)c1ccc(Br)cc1 ZINC000289656017 532330229 /nfs/dbraw/zinc/33/02/29/532330229.db2.gz QSOINJRJMUBHQU-UHFFFAOYSA-N 1 0 380.286 1.924 20 0 GDADRO CS(=O)(=O)CCOCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289672157 532330367 /nfs/dbraw/zinc/33/03/67/532330367.db2.gz ZUHCNWLKWKUFLI-UHFFFAOYSA-N 1 0 376.276 1.248 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000289762057 532331858 /nfs/dbraw/zinc/33/18/58/532331858.db2.gz PJWKAURRYMTFCP-HWRSSNJWSA-N 1 0 387.571 1.302 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736398691 598854177 /nfs/dbraw/zinc/85/41/77/598854177.db2.gz CKDLCNOBYRNFHX-ZDUSSCGKSA-N 1 0 389.435 1.325 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)C[NH+]1CCCCC1 ZINC000736025194 598870144 /nfs/dbraw/zinc/87/01/44/598870144.db2.gz DZNWNCULFOJTDG-LBPRGKRZSA-N 1 0 382.465 1.406 20 0 GDADRO C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736100000 598894527 /nfs/dbraw/zinc/89/45/27/598894527.db2.gz LDVSMIWLHKARSU-QVKFZJNVSA-N 1 0 392.463 1.681 20 0 GDADRO CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)CC(C)(C)O ZINC000736535389 598945931 /nfs/dbraw/zinc/94/59/31/598945931.db2.gz UQCNKJLOXHWRCH-UHFFFAOYSA-N 1 0 378.502 1.838 20 0 GDADRO COC(=O)CC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCO1 ZINC000736912927 598947253 /nfs/dbraw/zinc/94/72/53/598947253.db2.gz IVMNDSLQRKUBFD-MRXNPFEDSA-N 1 0 375.429 1.290 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000737297726 598951732 /nfs/dbraw/zinc/95/17/32/598951732.db2.gz KGYAUJLJQBGERF-OCCSQVGLSA-N 1 0 378.502 1.574 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(-c3nn[nH]n3)cc2OC)C[C@H]1C ZINC000736565050 598952550 /nfs/dbraw/zinc/95/25/50/598952550.db2.gz GKMCAXIKFZQSGB-UKRRQHHQSA-N 1 0 388.472 1.585 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000736748799 598966719 /nfs/dbraw/zinc/96/67/19/598966719.db2.gz XKPKYPGJIBMVOS-UHFFFAOYSA-N 1 0 395.471 1.165 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000737031858 598987784 /nfs/dbraw/zinc/98/77/84/598987784.db2.gz FKUKFEZJTCNWCD-UHFFFAOYSA-N 1 0 381.436 1.374 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC000736564773 599007720 /nfs/dbraw/zinc/00/77/20/599007720.db2.gz DORUSCFNYXBPDE-WCQYABFASA-N 1 0 382.465 1.499 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000736237650 599029242 /nfs/dbraw/zinc/02/92/42/599029242.db2.gz RVZACYAQGBGVTE-KBPBESRZSA-N 1 0 387.463 1.527 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)C1CC1 ZINC000735635490 599052135 /nfs/dbraw/zinc/05/21/35/599052135.db2.gz DUHLLQTULSFOAI-HNNXBMFYSA-N 1 0 398.471 1.907 20 0 GDADRO C[NH+](C)C1(CNC(=O)COc2ccc(-c3nn[nH]n3)cc2)Cc2ccccc2C1 ZINC000736756435 599084893 /nfs/dbraw/zinc/08/48/93/599084893.db2.gz IITOOEPSJNBKCU-UHFFFAOYSA-N 1 0 392.463 1.461 20 0 GDADRO NC(=O)[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731398 599089284 /nfs/dbraw/zinc/08/92/84/599089284.db2.gz RNQWXGIVNROMCI-OALUTQOASA-N 1 0 391.479 1.820 20 0 GDADRO COc1ccc(OC)c(CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737108977 599093956 /nfs/dbraw/zinc/09/39/56/599093956.db2.gz MFPNZPMGCMEMKM-QGZVFWFLSA-N 1 0 382.424 1.243 20 0 GDADRO CC(C)(C)c1csc(CC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000735652818 599097561 /nfs/dbraw/zinc/09/75/61/599097561.db2.gz SFYOZHMQJMPJKW-HNNXBMFYSA-N 1 0 385.497 1.979 20 0 GDADRO O=C1NC2(CCCC2)C(=O)N1CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738314490 599132260 /nfs/dbraw/zinc/13/22/60/599132260.db2.gz AFFULDLOLISJND-UHFFFAOYSA-N 1 0 395.467 1.696 20 0 GDADRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC000736759453 599178209 /nfs/dbraw/zinc/17/82/09/599178209.db2.gz RJKUPNUGYVKXAZ-HNNXBMFYSA-N 1 0 380.518 1.653 20 0 GDADRO Cc1c(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822053619 607272231 /nfs/dbraw/zinc/27/22/31/607272231.db2.gz PFUVKTFDDLAZJH-OKILXGFUSA-N 1 0 399.499 1.598 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)C1 ZINC000821087570 607277295 /nfs/dbraw/zinc/27/72/95/607277295.db2.gz CZZCPIPVCAQDFY-AWEZNQCLSA-N 1 0 385.472 1.304 20 0 GDADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000736184269 599248182 /nfs/dbraw/zinc/24/81/82/599248182.db2.gz XJYVTGNCKDLROM-CVEARBPZSA-N 1 0 384.484 1.968 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822054166 607274845 /nfs/dbraw/zinc/27/48/45/607274845.db2.gz VIZZIZUQGZKFQT-RNODOKPDSA-N 1 0 399.499 1.740 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)C[C@@H]1C ZINC000821254431 607278841 /nfs/dbraw/zinc/27/88/41/607278841.db2.gz MAABSRXAURGPKU-GXTWGEPZSA-N 1 0 385.472 1.445 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+](CCN(C)C)CC1 ZINC000737408056 599274027 /nfs/dbraw/zinc/27/40/27/599274027.db2.gz DVDADAZHPGGRQN-UHFFFAOYSA-N 1 0 380.500 1.583 20 0 GDADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736769074 599280053 /nfs/dbraw/zinc/28/00/53/599280053.db2.gz OGPHKVBELFUIFG-UHFFFAOYSA-N 1 0 395.423 1.275 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736458204 599283125 /nfs/dbraw/zinc/28/31/25/599283125.db2.gz XEIIGONDGBKYRB-MRXNPFEDSA-N 1 0 385.472 1.576 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736568881 599283392 /nfs/dbraw/zinc/28/33/92/599283392.db2.gz DJHQPQVPJRTOPX-LBPRGKRZSA-N 1 0 391.863 1.449 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821690338 599289485 /nfs/dbraw/zinc/28/94/85/599289485.db2.gz GRTCGHXKQFZJPN-NSHDSACASA-N 1 0 399.377 1.728 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)NCC2CC[NH+](C)CC2)c1-c1nn[nH]n1 ZINC000737188538 598231665 /nfs/dbraw/zinc/23/16/65/598231665.db2.gz BCHXQEGYNVHDMS-UHFFFAOYSA-N 1 0 387.513 1.933 20 0 GDADRO CC(C)C[N@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CC1 ZINC000735829261 598232285 /nfs/dbraw/zinc/23/22/85/598232285.db2.gz FPALXSPSTGMFMV-IBGZPJMESA-N 1 0 383.456 1.712 20 0 GDADRO C[NH+]1CCC(NC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000736857984 598269131 /nfs/dbraw/zinc/26/91/31/598269131.db2.gz VRUVIHIAZKLYSU-UHFFFAOYSA-N 1 0 385.472 1.514 20 0 GDADRO CC1CC[NH+](CCNC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736277493 598283195 /nfs/dbraw/zinc/28/31/95/598283195.db2.gz XMUXGKSUXUGPSM-UHFFFAOYSA-N 1 0 398.515 1.430 20 0 GDADRO CN(CCC[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)C(=O)OC(C)(C)C ZINC000736800599 598284631 /nfs/dbraw/zinc/28/46/31/598284631.db2.gz NWCRGCLGKNNGAB-UHFFFAOYSA-N 1 0 387.448 1.256 20 0 GDADRO O[C@@H](C[NH+]1CCC(CNc2nccnc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738379723 598337281 /nfs/dbraw/zinc/33/72/81/598337281.db2.gz CDMQMROCVUTYQK-INIZCTEOSA-N 1 0 380.456 1.514 20 0 GDADRO COc1cc2c(nn1)CC[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C2 ZINC000737056780 598341544 /nfs/dbraw/zinc/34/15/44/598341544.db2.gz YUYIIZUUIBNTBA-UHFFFAOYSA-N 1 0 386.441 1.114 20 0 GDADRO Cc1ccc(N(C)C2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)nn1 ZINC000737346138 598364537 /nfs/dbraw/zinc/36/45/37/598364537.db2.gz DZZVHCNYIKCNPK-UHFFFAOYSA-N 1 0 394.483 1.945 20 0 GDADRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736848202 598367940 /nfs/dbraw/zinc/36/79/40/598367940.db2.gz KJVHNWVJCWNJMS-UHFFFAOYSA-N 1 0 391.863 1.307 20 0 GDADRO O=C(CC[NH+]1CCC(C2OCCO2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737840166 598370317 /nfs/dbraw/zinc/37/03/17/598370317.db2.gz ZXABHMNQQKHNAD-UHFFFAOYSA-N 1 0 378.458 1.342 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736769424 598383263 /nfs/dbraw/zinc/38/32/63/598383263.db2.gz SKRHLWJPTAFKRA-UHFFFAOYSA-N 1 0 393.451 1.088 20 0 GDADRO O=C(CC[NH+]1CCC(CCO)CC1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737839546 598403755 /nfs/dbraw/zinc/40/37/55/598403755.db2.gz VAGXEUYCLLGULQ-UHFFFAOYSA-N 1 0 390.513 1.840 20 0 GDADRO CCC[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCCO1 ZINC000736471193 598405041 /nfs/dbraw/zinc/40/50/41/598405041.db2.gz SYCMQEMUDYXHGG-AEFFLSMTSA-N 1 0 375.473 1.888 20 0 GDADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000736170722 598417883 /nfs/dbraw/zinc/41/78/83/598417883.db2.gz WITMLAOZOAIMOE-GFCCVEGCSA-N 1 0 376.380 1.853 20 0 GDADRO CNC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)cc1 ZINC000736877193 598452080 /nfs/dbraw/zinc/45/20/80/598452080.db2.gz IUJSPZVESCCDDT-UHFFFAOYSA-N 1 0 399.480 1.748 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000737007591 598466401 /nfs/dbraw/zinc/46/64/01/598466401.db2.gz NULLSTQOFKGZRY-PBHICJAKSA-N 1 0 388.472 1.107 20 0 GDADRO O=C1[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291302 598471374 /nfs/dbraw/zinc/47/13/74/598471374.db2.gz UFDVRIXLRRCIEH-MSOLQXFVSA-N 1 0 381.484 1.532 20 0 GDADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000735736019 598497216 /nfs/dbraw/zinc/49/72/16/598497216.db2.gz RHGIOPSPXMFZRP-YJBOKZPZSA-N 1 0 384.484 1.871 20 0 GDADRO CCC[NH+]1CCC(N(C)S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736480413 598506753 /nfs/dbraw/zinc/50/67/53/598506753.db2.gz PMANDTAYRXZIMJ-UHFFFAOYSA-N 1 0 378.502 1.503 20 0 GDADRO c1coc([C@@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N2CCCC2)c1 ZINC000738447066 598518342 /nfs/dbraw/zinc/51/83/42/598518342.db2.gz BHOFRFNJFJEEPP-DZGCQCFKSA-N 1 0 383.460 1.125 20 0 GDADRO FC(F)(F)Oc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737626812 598520562 /nfs/dbraw/zinc/52/05/62/598520562.db2.gz LRPMNZZHZSHKFY-JTQLQIEISA-N 1 0 394.361 1.793 20 0 GDADRO CCC(=O)Nc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000736309191 598523371 /nfs/dbraw/zinc/52/33/71/598523371.db2.gz LOCDORFMPSYPHJ-ZDUSSCGKSA-N 1 0 381.444 1.243 20 0 GDADRO FC(F)(F)c1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737635523 598527796 /nfs/dbraw/zinc/52/77/96/598527796.db2.gz JAYCHTJQCZSELP-SNVBAGLBSA-N 1 0 378.362 1.914 20 0 GDADRO Cc1ccc2c(CC[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c[nH]c2c1 ZINC000737371864 598528162 /nfs/dbraw/zinc/52/81/62/598528162.db2.gz NWGNPPHBUUYVSV-ZDUSSCGKSA-N 1 0 377.456 1.727 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)C2 ZINC000738426600 598528694 /nfs/dbraw/zinc/52/86/94/598528694.db2.gz SNQAXYKQJSLNFY-JQFCIGGWSA-N 1 0 380.456 1.615 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@H](c1ccccc1)c1cccnc1)C2 ZINC000738425990 598529732 /nfs/dbraw/zinc/52/97/32/598529732.db2.gz QPERETPIQNFKQA-KBXCAEBGSA-N 1 0 387.451 1.879 20 0 GDADRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737088516 598532089 /nfs/dbraw/zinc/53/20/89/598532089.db2.gz RHFFKCJGGLLZDJ-TZMCWYRMSA-N 1 0 398.471 1.343 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000738356756 598560971 /nfs/dbraw/zinc/56/09/71/598560971.db2.gz JIAUUBMVTKIJJQ-INIZCTEOSA-N 1 0 399.476 1.722 20 0 GDADRO O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000737793376 598595288 /nfs/dbraw/zinc/59/52/88/598595288.db2.gz XQYZERUBACORQZ-GOSISDBHSA-N 1 0 381.484 1.390 20 0 GDADRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738023015 598595453 /nfs/dbraw/zinc/59/54/53/598595453.db2.gz FUJZZLKRDSSIHS-IBGZPJMESA-N 1 0 395.511 1.826 20 0 GDADRO O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000737793548 598597989 /nfs/dbraw/zinc/59/79/89/598597989.db2.gz ZRYVVFYFPHVXME-QZTJIDSGSA-N 1 0 381.484 1.532 20 0 GDADRO Cc1nc(SCC(=O)N2CC[C@H]([NH+](C)C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737485079 598600958 /nfs/dbraw/zinc/60/09/58/598600958.db2.gz ZDEBBIKNYKJIMA-ZDUSSCGKSA-N 1 0 375.502 1.442 20 0 GDADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC000735761167 598635158 /nfs/dbraw/zinc/63/51/58/598635158.db2.gz LNTYDISFBQOAIE-LBPRGKRZSA-N 1 0 377.424 1.037 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000736268286 598636555 /nfs/dbraw/zinc/63/65/55/598636555.db2.gz RYVDZGIPCBNURN-RYUDHWBXSA-N 1 0 389.435 1.323 20 0 GDADRO C[N@H+](CCCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000736802254 598663126 /nfs/dbraw/zinc/66/31/26/598663126.db2.gz ZCAGODHQTJNYJE-UHFFFAOYSA-N 1 0 396.492 1.939 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735835383 598664645 /nfs/dbraw/zinc/66/46/45/598664645.db2.gz IJIFHELTIIXGLY-HNNXBMFYSA-N 1 0 390.513 1.432 20 0 GDADRO C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@@H+]2CCC[C@@H]2C2CC2)C1=O ZINC000736222696 598671512 /nfs/dbraw/zinc/67/15/12/598671512.db2.gz JKOZDFVFYISYPP-DNVCBOLYSA-N 1 0 381.440 1.466 20 0 GDADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000737006252 598682770 /nfs/dbraw/zinc/68/27/70/598682770.db2.gz ILKCMBQFAJPYFP-OCCSQVGLSA-N 1 0 376.436 1.369 20 0 GDADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000736862756 598698758 /nfs/dbraw/zinc/69/87/58/598698758.db2.gz FNGJWTKNJFDZMI-UHFFFAOYSA-N 1 0 386.504 1.036 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736860748 598758063 /nfs/dbraw/zinc/75/80/63/598758063.db2.gz VEEZKSFREVIIIW-HUUCEWRRSA-N 1 0 380.449 1.253 20 0 GDADRO NC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737744895 598761492 /nfs/dbraw/zinc/76/14/92/598761492.db2.gz CNRKSVFBUZQCJU-GFCCVEGCSA-N 1 0 391.863 1.579 20 0 GDADRO CCn1cnnc1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736722187 598763602 /nfs/dbraw/zinc/76/36/02/598763602.db2.gz MQDLDBZMGCALIS-HNNXBMFYSA-N 1 0 395.471 1.686 20 0 GDADRO Cc1csc(=O)n1CC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737457126 598765485 /nfs/dbraw/zinc/76/54/85/598765485.db2.gz PFAUWYAGWKCGIY-UHFFFAOYSA-N 1 0 386.481 1.942 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736453031 598767770 /nfs/dbraw/zinc/76/77/70/598767770.db2.gz KQSCDPUIYZOXIT-UHFFFAOYSA-N 1 0 383.460 1.096 20 0 GDADRO Cc1nc(SCC(=O)NC[C@@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c(C)c1C ZINC000737481921 598813447 /nfs/dbraw/zinc/81/34/47/598813447.db2.gz CMPYSBMHZOOIHW-ZDUSSCGKSA-N 1 0 375.502 1.489 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000737033454 599296337 /nfs/dbraw/zinc/29/63/37/599296337.db2.gz PJHRQTCGMAXEAJ-UKRRQHHQSA-N 1 0 388.472 1.443 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000736133317 599299828 /nfs/dbraw/zinc/29/98/28/599299828.db2.gz RRIPLFWPLPWJNI-GRDNDAEWSA-N 1 0 392.529 1.966 20 0 GDADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736408865 599300797 /nfs/dbraw/zinc/30/07/97/599300797.db2.gz KLJDICBNDKLZQJ-XOKHGSTOSA-N 1 0 399.499 1.266 20 0 GDADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000736198204 599308954 /nfs/dbraw/zinc/30/89/54/599308954.db2.gz QYGFTNHYEUNDTL-CYBMUJFWSA-N 1 0 378.440 1.244 20 0 GDADRO Cc1cc(N2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n2ncnc2n1 ZINC000737271153 599310160 /nfs/dbraw/zinc/31/01/60/599310160.db2.gz JPQNDUKHUVOZAU-AWEZNQCLSA-N 1 0 390.455 1.496 20 0 GDADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000736199026 599312268 /nfs/dbraw/zinc/31/22/68/599312268.db2.gz MMHHIPMZOIONLF-ZDUSSCGKSA-N 1 0 378.440 1.244 20 0 GDADRO c1cn(C[N@H+]2CCC[C@H]2CN2CCOCC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000823743049 599330762 /nfs/dbraw/zinc/33/07/62/599330762.db2.gz RCYWXALVVNQZHT-SFHVURJKSA-N 1 0 394.483 1.484 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000820752345 599347585 /nfs/dbraw/zinc/34/75/85/599347585.db2.gz MAZBUYIFOIZPMV-JQWIXIFHSA-N 1 0 384.893 1.481 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000820753368 599347680 /nfs/dbraw/zinc/34/76/80/599347680.db2.gz YJXIHOBZVYCXPH-MFKMUULPSA-N 1 0 384.893 1.481 20 0 GDADRO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)[C@@H](C)C1 ZINC000820753481 599371242 /nfs/dbraw/zinc/37/12/42/599371242.db2.gz YSKYHKRORQSPOZ-HZMBPMFUSA-N 1 0 384.893 1.527 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821189387 599372074 /nfs/dbraw/zinc/37/20/74/599372074.db2.gz LERXTXJFSMYSJV-LBPRGKRZSA-N 1 0 382.465 1.358 20 0 GDADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000737853258 599381479 /nfs/dbraw/zinc/38/14/79/599381479.db2.gz RWKPHKSEUNKCDV-UHFFFAOYSA-N 1 0 384.484 1.370 20 0 GDADRO COc1ccc(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)cc1-c1nn[nH]n1 ZINC000821818293 599399701 /nfs/dbraw/zinc/39/97/01/599399701.db2.gz NQHQLAFIEJCXQE-UHFFFAOYSA-N 1 0 388.453 1.537 20 0 GDADRO COc1ccc(C[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)cc1-c1nn[nH]n1 ZINC000821818644 599407462 /nfs/dbraw/zinc/40/74/62/599407462.db2.gz WDNYDNALDITHEZ-UHFFFAOYSA-N 1 0 396.451 1.632 20 0 GDADRO COCc1nc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cs1 ZINC000821695987 599425678 /nfs/dbraw/zinc/42/56/78/599425678.db2.gz QOTBKZNNYNGBSR-UHFFFAOYSA-N 1 0 386.485 1.623 20 0 GDADRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)cc1-c1nn[nH]n1 ZINC000821804342 599434105 /nfs/dbraw/zinc/43/41/05/599434105.db2.gz LPVOZXLHUNRAKW-KRWDZBQOSA-N 1 0 380.452 1.664 20 0 GDADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820698293 599439029 /nfs/dbraw/zinc/43/90/29/599439029.db2.gz SKMFOVHMEFSUSK-HUUCEWRRSA-N 1 0 387.488 1.808 20 0 GDADRO C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1ccc(Cl)cc1 ZINC000820276213 599462061 /nfs/dbraw/zinc/46/20/61/599462061.db2.gz URVMNXSXIGRXSH-RYUDHWBXSA-N 1 0 388.863 1.815 20 0 GDADRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820349334 599483241 /nfs/dbraw/zinc/48/32/41/599483241.db2.gz HMDKTUNXYWXIAR-CQSZACIVSA-N 1 0 378.440 1.855 20 0 GDADRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000737401275 599486902 /nfs/dbraw/zinc/48/69/02/599486902.db2.gz MROAKYZJMFJVDM-MRXNPFEDSA-N 1 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Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000822315050 599601692 /nfs/dbraw/zinc/60/16/92/599601692.db2.gz YIKXWTZJJDUTIX-AWEZNQCLSA-N 1 0 383.456 1.200 20 0 GDADRO CN1CC[N@H+](C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)[C@@H](c2ccccc2)C1 ZINC000821626824 607386868 /nfs/dbraw/zinc/38/68/68/607386868.db2.gz ALEFHLSCEBRXOS-WMLDXEAASA-N 1 0 379.472 1.094 20 0 GDADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820057369 599669768 /nfs/dbraw/zinc/66/97/68/599669768.db2.gz ZGDAXKSWPIGPLN-OAHLLOKOSA-N 1 0 375.477 1.521 20 0 GDADRO COC(=O)CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)CC(C)C ZINC000821661740 607408890 /nfs/dbraw/zinc/40/88/90/607408890.db2.gz WMZBTOHWNNXAKA-UHFFFAOYSA-N 1 0 378.433 1.536 20 0 GDADRO O=C([O-])C1CCC(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000739416417 600022129 /nfs/dbraw/zinc/02/21/29/600022129.db2.gz DVJJKLFPIIBMEU-UHFFFAOYSA-N 1 0 389.500 1.536 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC000737519700 600122044 /nfs/dbraw/zinc/12/20/44/600122044.db2.gz IOWRSLNNYFVWTC-INIZCTEOSA-N 1 0 375.473 1.109 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC000737359295 600551664 /nfs/dbraw/zinc/55/16/64/600551664.db2.gz BMMCCPJSJNITKD-MRXNPFEDSA-N 1 0 389.500 1.309 20 0 GDADRO CCOC(=O)CNC(=O)C1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825518287 607473305 /nfs/dbraw/zinc/47/33/05/607473305.db2.gz WVFBMMQRAYKBCP-ZDUSSCGKSA-N 1 0 386.456 1.319 20 0 GDADRO O=C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410418 607478241 /nfs/dbraw/zinc/47/82/41/607478241.db2.gz MPGKNDAGYUOGMJ-IEBWSBKVSA-N 1 0 395.511 1.432 20 0 GDADRO C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000827363033 601105736 /nfs/dbraw/zinc/10/57/36/601105736.db2.gz YJIMQHPGAQNBIN-GOSISDBHSA-N 1 0 388.512 1.206 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000822224044 607494875 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O=C(C[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000740367084 602527344 /nfs/dbraw/zinc/52/73/44/602527344.db2.gz DWWNSIRXMZRNJV-ZWKOTPCHSA-N 1 0 378.517 1.726 20 0 GDADRO COc1ccc(CNC(=O)NCCC[NH+]2CCC(C)CC2)cc1-c1nn[nH]n1 ZINC000826199954 607573896 /nfs/dbraw/zinc/57/38/96/607573896.db2.gz SQEGBGYLDPYMPV-UHFFFAOYSA-N 1 0 387.488 1.797 20 0 GDADRO O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000826496286 607593200 /nfs/dbraw/zinc/59/32/00/607593200.db2.gz QZHJPWBNVZPBJA-UHFFFAOYSA-N 1 0 376.486 1.506 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000825451531 607603011 /nfs/dbraw/zinc/60/30/11/607603011.db2.gz JDMSQQKFFWWBFT-NSHDSACASA-N 1 0 384.893 1.530 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000825000191 607614877 /nfs/dbraw/zinc/61/48/77/607614877.db2.gz NUCSTLMIKRWART-MNOVXSKESA-N 1 0 382.877 1.377 20 0 GDADRO O=C([O-])N1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000740439031 603278501 /nfs/dbraw/zinc/27/85/01/603278501.db2.gz KLZNJVACCLOKLF-SFHVURJKSA-N 1 0 388.512 1.992 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000826182505 607620600 /nfs/dbraw/zinc/62/06/00/607620600.db2.gz LXAGDNAQWFDJEV-UHFFFAOYSA-N 1 0 392.463 1.894 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000825390761 607656512 /nfs/dbraw/zinc/65/65/12/607656512.db2.gz LWXCEOPAPNCIJY-LLVKDONJSA-N 1 0 384.893 1.482 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000825902372 607659295 /nfs/dbraw/zinc/65/92/95/607659295.db2.gz SGSLJGGKBNXNQF-CYBMUJFWSA-N 1 0 394.476 1.358 20 0 GDADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)NC[C@@H]1COCC[NH2+]1 ZINC000529311936 649939689 /nfs/dbraw/zinc/93/96/89/649939689.db2.gz AGFSTMQHDCRKJH-GFCCVEGCSA-N 1 0 395.261 1.022 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCc1cc(F)c(Br)cc1F ZINC000529345805 649940874 /nfs/dbraw/zinc/94/08/74/649940874.db2.gz XGMJUIULULTHHU-JTQLQIEISA-N 1 0 377.233 1.430 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nn[nH]n3)CC[C@H]21 ZINC000826033802 607673803 /nfs/dbraw/zinc/67/38/03/607673803.db2.gz KJPBHIFCXWUIRZ-BXUZGUMPSA-N 1 0 396.904 1.625 20 0 GDADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc(Br)c(F)c1F ZINC000529368934 649941823 /nfs/dbraw/zinc/94/18/23/649941823.db2.gz VTFVNPDXQKHJQP-OAHLLOKOSA-N 1 0 375.213 1.914 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2cc(F)c(Br)cc2F)CCO1 ZINC000529368564 649941828 /nfs/dbraw/zinc/94/18/28/649941828.db2.gz DOBWLQSBBDTDHJ-AMIZOPFISA-N 1 0 378.217 1.985 20 0 GDADRO CC[NH+]1CCCN(c2ncnc(N3CCC[N@@H+](CC)CC3)c2C(=O)[O-])CC1 ZINC000829770720 604460701 /nfs/dbraw/zinc/46/07/01/604460701.db2.gz MNMYMYLJKWDTTL-UHFFFAOYSA-N 1 0 376.505 1.239 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CC(F)(F)C2)c1 ZINC000529537891 649948270 /nfs/dbraw/zinc/94/82/70/649948270.db2.gz IJAGXEMXJKQYGL-WDEREUQCSA-N 1 0 375.441 1.945 20 0 GDADRO C[C@H]([NH2+]CC(=O)N1CCN(C(=O)[O-])CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000825485564 604769640 /nfs/dbraw/zinc/76/96/40/604769640.db2.gz PEXQXSBWLUVMFI-HNNXBMFYSA-N 1 0 378.473 1.100 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000833626293 605135662 /nfs/dbraw/zinc/13/56/62/605135662.db2.gz PPHOCZVKEVHIPG-KRWDZBQOSA-N 1 0 388.512 1.973 20 0 GDADRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]C1CC[NH+](CC(=O)[O-])CC1 ZINC000833633387 605225811 /nfs/dbraw/zinc/22/58/11/605225811.db2.gz FWGKCWGTLPRCJB-HIFRSBDPSA-N 1 0 385.505 1.886 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000824261337 607746280 /nfs/dbraw/zinc/74/62/80/607746280.db2.gz INVFVADLHYTTBQ-CYBMUJFWSA-N 1 0 398.920 1.919 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000824261295 607746514 /nfs/dbraw/zinc/74/65/14/607746514.db2.gz HWAJRGMXUSPTGV-GFCCVEGCSA-N 1 0 382.465 1.405 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3CNC(=O)[O-])c2)C1 ZINC000833979381 605609572 /nfs/dbraw/zinc/60/95/72/605609572.db2.gz BZQVJAMRNRKMFP-QRVBRYPASA-N 1 0 388.512 1.910 20 0 GDADRO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000833404492 605679058 /nfs/dbraw/zinc/67/90/58/605679058.db2.gz QHITZIWBDGVBHD-QGZVFWFLSA-N 1 0 395.544 1.523 20 0 GDADRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820650869 606068259 /nfs/dbraw/zinc/06/82/59/606068259.db2.gz YASRWXRMEQMZCK-KKVAFCGZSA-N 1 0 389.500 1.773 20 0 GDADRO C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000821615872 606086280 /nfs/dbraw/zinc/08/62/80/606086280.db2.gz SFELKDCGZCMFJS-GDBMZVCRSA-N 1 0 388.497 1.907 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000821702441 606089525 /nfs/dbraw/zinc/08/95/25/606089525.db2.gz SXMRHJQUGPOXKH-UHFFFAOYSA-N 1 0 396.442 1.915 20 0 GDADRO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000821675969 606115891 /nfs/dbraw/zinc/11/58/91/606115891.db2.gz XXUSSWSHNLDCPY-AWEZNQCLSA-N 1 0 398.471 1.665 20 0 GDADRO CCC[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC000821094010 606124873 /nfs/dbraw/zinc/12/48/73/606124873.db2.gz AKVBTCSXIOAGMM-NSHDSACASA-N 1 0 398.514 1.156 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000822609594 606161610 /nfs/dbraw/zinc/16/16/10/606161610.db2.gz RKCYKBDZWMOALX-UHFFFAOYSA-N 1 0 395.471 1.729 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000823249835 606163833 /nfs/dbraw/zinc/16/38/33/606163833.db2.gz LRLMFOXGWCAQEE-UHFFFAOYSA-N 1 0 389.435 1.012 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821625307 606188073 /nfs/dbraw/zinc/18/80/73/606188073.db2.gz KSEKWTBAIJGWCK-IRXDYDNUSA-N 1 0 390.513 1.199 20 0 GDADRO COc1ccc([C@H](CNC(=O)c2cc(-c3nn[nH]n3)cn2C)[NH+]2CCCC2)cc1 ZINC000821777101 606210869 /nfs/dbraw/zinc/21/08/69/606210869.db2.gz AJOSESJYTDEGNU-SFHVURJKSA-N 1 0 395.467 1.781 20 0 GDADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823713150 606222183 /nfs/dbraw/zinc/22/21/83/606222183.db2.gz DKMKUOJRGXOLKO-MAUKXSAKSA-N 1 0 384.509 1.901 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000822636493 606227156 /nfs/dbraw/zinc/22/71/56/606227156.db2.gz GIPGKWCUTUOUDH-UHFFFAOYSA-N 1 0 375.502 1.297 20 0 GDADRO Cc1nnc(NCC2(C[NH+]3CCOCC3)CCCCC2)c(-c2nn[nH]n2)c1C ZINC000822514233 606232447 /nfs/dbraw/zinc/23/24/47/606232447.db2.gz CWOPRKHHOCGNKB-UHFFFAOYSA-N 1 0 386.504 1.968 20 0 GDADRO CC[C@H](C)C[N@H+](CC)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000820870591 606239608 /nfs/dbraw/zinc/23/96/08/606239608.db2.gz VPKKFMQDEVZLDL-ORAYPTAESA-N 1 0 385.472 1.959 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000821587103 606254735 /nfs/dbraw/zinc/25/47/35/606254735.db2.gz GSTGMQINBLRLLF-UHFFFAOYSA-N 1 0 378.440 1.974 20 0 GDADRO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000820044542 606309308 /nfs/dbraw/zinc/30/93/08/606309308.db2.gz HBEBQPQFLORDPD-YUTCNCBUSA-N 1 0 376.486 1.684 20 0 GDADRO CCN(CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[N@@H+]1CC ZINC000821213516 606309414 /nfs/dbraw/zinc/30/94/14/606309414.db2.gz DOADYKJRKLRGKQ-INIZCTEOSA-N 1 0 392.529 1.447 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821687546 606357558 /nfs/dbraw/zinc/35/75/58/606357558.db2.gz DWJSIBLDWIBYPZ-UHFFFAOYSA-N 1 0 377.424 1.628 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821584428 606366329 /nfs/dbraw/zinc/36/63/29/606366329.db2.gz CWETXQROHISEBR-UHFFFAOYSA-N 1 0 387.488 1.238 20 0 GDADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820699366 606399620 /nfs/dbraw/zinc/39/96/20/606399620.db2.gz ZECDBVJXULNEOI-TXEJJXNPSA-N 1 0 389.435 1.323 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000821182226 606404631 /nfs/dbraw/zinc/40/46/31/606404631.db2.gz SMFMGNPHNXWVFX-LBPRGKRZSA-N 1 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/nfs/dbraw/zinc/06/45/50/608064550.db2.gz MTXKARQYORCSGY-SFHVURJKSA-N 1 0 399.499 1.824 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC000825856355 608065659 /nfs/dbraw/zinc/06/56/59/608065659.db2.gz UELVTIWOBJOXQD-KZNAEPCWSA-N 1 0 399.499 1.822 20 0 GDADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000824047130 608131223 /nfs/dbraw/zinc/13/12/23/608131223.db2.gz XWJLFJWITBIQRI-UKRRQHHQSA-N 1 0 386.456 1.669 20 0 GDADRO C[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824992556 608150900 /nfs/dbraw/zinc/15/09/00/608150900.db2.gz MPPNUEXNRNDAKL-BEFAXECRSA-N 1 0 392.511 1.877 20 0 GDADRO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824994213 608150967 /nfs/dbraw/zinc/15/09/67/608150967.db2.gz ULPYJIGZSOLLRU-CXAGYDPISA-N 1 0 375.908 1.982 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1CONC(=[NH2+])[C@H]1COc2ccccc2O1 ZINC000826184730 608153260 /nfs/dbraw/zinc/15/32/60/608153260.db2.gz IRWSCJDLAAOXJZ-MRXNPFEDSA-N 1 0 382.380 1.714 20 0 GDADRO C[N@H+](CC(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1)[C@H]1CCSC1 ZINC000825892989 608191509 /nfs/dbraw/zinc/19/15/09/608191509.db2.gz YDHCCKDWAQJXKW-AWEZNQCLSA-N 1 0 398.496 1.310 20 0 GDADRO C[N@H+](CC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCSC1 ZINC000825892056 608209312 /nfs/dbraw/zinc/20/93/12/608209312.db2.gz DIPQVUYZCSSFMI-JKSUJKDBSA-N 1 0 388.497 1.204 20 0 GDADRO C[NH+](C)CCOc1cc(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)ccn1 ZINC000825870390 608209813 /nfs/dbraw/zinc/20/98/13/608209813.db2.gz KFKFGDALBOVJRO-UHFFFAOYSA-N 1 0 399.480 1.933 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C[C@@H]1C ZINC000825445249 608247203 /nfs/dbraw/zinc/24/72/03/608247203.db2.gz YMAFKPMWDXBYRQ-QWHCGFSZSA-N 1 0 395.471 1.189 20 0 GDADRO O=C(COc1ccc(-c2nn[nH]n2)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826417195 608250865 /nfs/dbraw/zinc/25/08/65/608250865.db2.gz HUGUUYCQRJEFKH-UHFFFAOYSA-N 1 0 393.451 1.673 20 0 GDADRO CC[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825395948 608254144 /nfs/dbraw/zinc/25/41/44/608254144.db2.gz YOBBPDCBLHRVQC-KBXCAEBGSA-N 1 0 384.484 1.887 20 0 GDADRO OC[C@]1([NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCc2ccccc21 ZINC000826508088 608255192 /nfs/dbraw/zinc/25/51/92/608255192.db2.gz DNSPOYOUWPIZKU-OXJNMPFZSA-N 1 0 381.436 1.030 20 0 GDADRO C[C@H]1C[N@@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC[C@@H]1C ZINC000824956127 608268951 /nfs/dbraw/zinc/26/89/51/608268951.db2.gz QITGBWPROWBPOY-KBPBESRZSA-N 1 0 383.456 1.566 20 0 GDADRO COc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)cc1-c1nn[nH]n1 ZINC000826201721 608286431 /nfs/dbraw/zinc/28/64/31/608286431.db2.gz CDWQIBREUYSJBT-LBPRGKRZSA-N 1 0 377.412 1.702 20 0 GDADRO COCCCOCC[N@H+](C)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000826156949 608298071 /nfs/dbraw/zinc/29/80/71/608298071.db2.gz BBNNABNFLDRKCS-UHFFFAOYSA-N 1 0 386.460 1.376 20 0 GDADRO Cc1nn(-c2ccccc2)c(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826332157 608312685 /nfs/dbraw/zinc/31/26/85/608312685.db2.gz LKMXXTZKIWHBRQ-HUUCEWRRSA-N 1 0 396.499 1.248 20 0 GDADRO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1-c1nn[nH]n1 ZINC000826332097 608312795 /nfs/dbraw/zinc/31/27/95/608312795.db2.gz JRRJHFZHEMTPSU-OCCSQVGLSA-N 1 0 380.456 1.447 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000826157692 608313995 /nfs/dbraw/zinc/31/39/95/608313995.db2.gz HMVPGJZKFWHGKM-UHFFFAOYSA-N 1 0 387.488 1.472 20 0 GDADRO CC1CC[NH+](CCCNS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000824954981 608326406 /nfs/dbraw/zinc/32/64/06/608326406.db2.gz NMXJXDYHBSJDQC-UHFFFAOYSA-N 1 0 396.492 1.547 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824936116 608328387 /nfs/dbraw/zinc/32/83/87/608328387.db2.gz DVRCBDNNQWUEDI-LBPRGKRZSA-N 1 0 382.465 1.300 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000826169332 608357125 /nfs/dbraw/zinc/35/71/25/608357125.db2.gz PILZHOQQLWQLHA-CALCHBBNSA-N 1 0 399.543 1.866 20 0 GDADRO CCC[C@@H]1CN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000825253538 608374902 /nfs/dbraw/zinc/37/49/02/608374902.db2.gz NTMZVBBJKCNJRI-QGZVFWFLSA-N 1 0 387.488 1.238 20 0 GDADRO C[NH+](C)CCCC1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000825860000 608379338 /nfs/dbraw/zinc/37/93/38/608379338.db2.gz JSQGWADYDOFQIX-UHFFFAOYSA-N 1 0 377.518 1.921 20 0 GDADRO C[C@@H]([NH2+]C1(CNc2ccc(-c3nn[nH]n3)nn2)CCOCC1)c1ccccc1 ZINC000824536913 608417479 /nfs/dbraw/zinc/41/74/79/608417479.db2.gz ACKSUJSDAVJGLH-CQSZACIVSA-N 1 0 380.456 1.969 20 0 GDADRO CCS(=O)(=O)NCCC[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825663426 608464173 /nfs/dbraw/zinc/46/41/73/608464173.db2.gz OJBJWICVRDFGFS-UHFFFAOYSA-N 1 0 376.486 1.285 20 0 GDADRO C[C@@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000824627650 608470026 /nfs/dbraw/zinc/47/00/26/608470026.db2.gz ZTXMSOFANFSAJB-GFCCVEGCSA-N 1 0 387.469 1.363 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000530438873 649975773 /nfs/dbraw/zinc/97/57/73/649975773.db2.gz AVIGLBUEFUXVQQ-HRCADAONSA-N 1 0 375.535 1.216 20 0 GDADRO c1cnn(-c2cccc(C[NH+]3CCN(c4ncccc4-c4nn[nH]n4)CC3)c2)c1 ZINC000826516187 608509365 /nfs/dbraw/zinc/50/93/65/608509365.db2.gz ZTWFIKRXXZSOGC-UHFFFAOYSA-N 1 0 387.451 1.770 20 0 GDADRO COc1ccc(C2([NH2+]CCS(=O)(=O)c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826190017 608521409 /nfs/dbraw/zinc/52/14/09/608521409.db2.gz MUJJTYYQGZECOE-UHFFFAOYSA-N 1 0 399.476 1.928 20 0 GDADRO COCc1ccccc1CNC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826164482 608532188 /nfs/dbraw/zinc/53/21/88/608532188.db2.gz CASWUIPQHILZOG-UHFFFAOYSA-N 1 0 392.463 1.908 20 0 GDADRO COc1cccc(C2([NH2+]C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826215374 608551287 /nfs/dbraw/zinc/55/12/87/608551287.db2.gz NEYSCVDUFRAMCM-INIZCTEOSA-N 1 0 381.436 1.894 20 0 GDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826453677 608551557 /nfs/dbraw/zinc/55/15/57/608551557.db2.gz VFTXOKNZQUKHTD-UHFFFAOYSA-N 1 0 393.342 1.164 20 0 GDADRO CC(C)[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824184823 608554517 /nfs/dbraw/zinc/55/45/17/608554517.db2.gz LUCOKDWZBDPVLW-OAHLLOKOSA-N 1 0 389.508 1.074 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000826519185 608676115 /nfs/dbraw/zinc/67/61/15/608676115.db2.gz NJNRKFLGRQUIKV-MRXNPFEDSA-N 1 0 382.472 1.201 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000824907945 608811904 /nfs/dbraw/zinc/81/19/04/608811904.db2.gz LIIVAHCMSVQBFB-BETUJISGSA-N 1 0 380.456 1.746 20 0 GDADRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826363819 608843769 /nfs/dbraw/zinc/84/37/69/608843769.db2.gz CNHFCDQNLVWWSD-SUMWQHHRSA-N 1 0 393.455 1.194 20 0 GDADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2ccnc2-c2nn[nH]n2)CC1 ZINC000826307630 608890933 /nfs/dbraw/zinc/89/09/33/608890933.db2.gz QAPAIPQPDOKRLW-UHFFFAOYSA-N 1 0 380.456 1.106 20 0 GDADRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593233 609139607 /nfs/dbraw/zinc/13/96/07/609139607.db2.gz POKDHLQSVFRCDM-GUYCJALGSA-N 1 0 389.479 1.599 20 0 GDADRO Cc1cc(C(=O)NCC(C)(C)C[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258883 609141100 /nfs/dbraw/zinc/14/11/00/609141100.db2.gz ADYHSSQXNBUBBS-UHFFFAOYSA-N 1 0 382.472 1.678 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000824689974 609145993 /nfs/dbraw/zinc/14/59/93/609145993.db2.gz ONIWXMKVAMGHJW-VWYCJHECSA-N 1 0 376.486 1.447 20 0 GDADRO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258706 609148231 /nfs/dbraw/zinc/14/82/31/609148231.db2.gz SZXCJIKMTACKPP-AWEZNQCLSA-N 1 0 394.483 1.965 20 0 GDADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826166472 609153150 /nfs/dbraw/zinc/15/31/50/609153150.db2.gz MAJKEFIKJIRYQR-HZMBPMFUSA-N 1 0 382.465 1.798 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259301 609153739 /nfs/dbraw/zinc/15/37/39/609153739.db2.gz OCZMGRUTCWFSBF-INIZCTEOSA-N 1 0 392.467 1.575 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825459456 609155194 /nfs/dbraw/zinc/15/51/94/609155194.db2.gz KTPRBPMDUGSIJZ-KRWDZBQOSA-N 1 0 394.483 1.965 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000826156001 609157823 /nfs/dbraw/zinc/15/78/23/609157823.db2.gz LPVQQZPJJARUTB-UHFFFAOYSA-N 1 0 398.471 1.059 20 0 GDADRO c1cn2c(n1)CC[C@H]([NH2+]C1CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC1)C2 ZINC000826525035 609187545 /nfs/dbraw/zinc/18/75/45/609187545.db2.gz SZNJGNBGUASNIN-SFHVURJKSA-N 1 0 378.484 1.632 20 0 GDADRO COc1ccc([C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[NH+]2CCCC2)cc1 ZINC000826188585 609189172 /nfs/dbraw/zinc/18/91/72/609189172.db2.gz AZNCLQSLCPVILF-QGZVFWFLSA-N 1 0 381.440 1.770 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824875211 609198673 /nfs/dbraw/zinc/19/86/73/609198673.db2.gz JRCKSCIXYVLGIL-RKVPGOIHSA-N 1 0 386.500 1.774 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824874888 609210089 /nfs/dbraw/zinc/21/00/89/609210089.db2.gz HHLCNBNZILSUBP-JKIFEVAISA-N 1 0 386.500 1.773 20 0 GDADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825870707 609215269 /nfs/dbraw/zinc/21/52/69/609215269.db2.gz ZDUKMYKGOMXSPD-GOSISDBHSA-N 1 0 396.451 1.157 20 0 GDADRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826430676 609224365 /nfs/dbraw/zinc/22/43/65/609224365.db2.gz INWGJUBOJSUWQT-UHFFFAOYSA-N 1 0 399.430 1.607 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1=O ZINC000826018298 609242344 /nfs/dbraw/zinc/24/23/44/609242344.db2.gz VBRYWYSUQYWVIL-NBQZKYEYSA-N 1 0 395.467 1.554 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000824978399 609242356 /nfs/dbraw/zinc/24/23/56/609242356.db2.gz VTKQMNVLZLOMSD-SCLBCKFNSA-N 1 0 383.500 1.722 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825865399 609250927 /nfs/dbraw/zinc/25/09/27/609250927.db2.gz CLQWUYYTOHBXSZ-SFHVURJKSA-N 1 0 396.451 1.196 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c1-c1nn[nH]n1 ZINC000826077680 609267642 /nfs/dbraw/zinc/26/76/42/609267642.db2.gz QGXLLRZPTBIYDS-NSHDSACASA-N 1 0 398.475 1.470 20 0 GDADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)ccc1O ZINC000826177052 609268576 /nfs/dbraw/zinc/26/85/76/609268576.db2.gz PRZKOMRWURGZBP-UHFFFAOYSA-N 1 0 396.451 1.785 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cccc2n[nH]nc21 ZINC000825865805 609268803 /nfs/dbraw/zinc/26/88/03/609268803.db2.gz LTXAQZCEGYAKHK-UHFFFAOYSA-N 1 0 391.439 1.342 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000826504363 609282831 /nfs/dbraw/zinc/28/28/31/609282831.db2.gz UPBDTSHVHZYOMM-YLJYHZDGSA-N 1 0 399.426 1.339 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825210824 609347789 /nfs/dbraw/zinc/34/77/89/609347789.db2.gz JNJUHIZUFSLSEA-XHBSWPGZSA-N 1 0 396.492 1.717 20 0 GDADRO C[NH+](C)CCOc1cc(C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)ccn1 ZINC000825870381 609350770 /nfs/dbraw/zinc/35/07/70/609350770.db2.gz JTXNVISAIGWIQY-UHFFFAOYSA-N 1 0 397.439 1.011 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824470455 609367619 /nfs/dbraw/zinc/36/76/19/609367619.db2.gz IGCBBTAUKWRCLJ-UKRRQHHQSA-N 1 0 397.483 1.574 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)C1 ZINC000826389706 609453177 /nfs/dbraw/zinc/45/31/77/609453177.db2.gz GEOIPPNKKXQMHY-CYBMUJFWSA-N 1 0 394.439 1.144 20 0 GDADRO CC1CC[NH+](CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000824954017 609538690 /nfs/dbraw/zinc/53/86/90/609538690.db2.gz IVFIHWFJANBPBD-UHFFFAOYSA-N 1 0 384.893 1.530 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)[C@H](C)C1 ZINC000825452470 609549849 /nfs/dbraw/zinc/54/98/49/609549849.db2.gz OZDDXSXASVTBEE-RISCZKNCSA-N 1 0 398.920 1.871 20 0 GDADRO Cc1c(Cl)cnc(N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1-c1nn[nH]n1 ZINC000826236745 609550646 /nfs/dbraw/zinc/55/06/46/609550646.db2.gz AZZRCSNEGVBRLV-AWEZNQCLSA-N 1 0 390.923 1.828 20 0 GDADRO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258699 609554004 /nfs/dbraw/zinc/55/40/04/609554004.db2.gz SVAUMIYIKRPMPH-INIZCTEOSA-N 1 0 378.440 1.281 20 0 GDADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C1 ZINC000825444463 609574223 /nfs/dbraw/zinc/57/42/23/609574223.db2.gz NTQUVEVJKOCMAT-YVEFUNNKSA-N 1 0 380.456 1.431 20 0 GDADRO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257307 609587188 /nfs/dbraw/zinc/58/71/88/609587188.db2.gz WUXIQCJGZXPFKO-ACJLOTCBSA-N 1 0 394.483 1.773 20 0 GDADRO Cn1nnc2cc(C[NH2+]CCNS(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000533103931 650042053 /nfs/dbraw/zinc/04/20/53/650042053.db2.gz DGQMMMDQKJMYQV-UHFFFAOYSA-N 1 0 385.902 1.751 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000533262390 650047829 /nfs/dbraw/zinc/04/78/29/650047829.db2.gz YMYHNGUYJCCAEK-CYBMUJFWSA-N 1 0 386.543 1.179 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CCSC1 ZINC000533321225 650048046 /nfs/dbraw/zinc/04/80/46/650048046.db2.gz MHJZNVKDRFRWAO-SMDDNHRTSA-N 1 0 382.452 1.276 20 0 GDADRO CN(CC(=O)NCCNc1cc[nH+]cc1)C(=O)c1ccc(Br)s1 ZINC000534522365 650223859 /nfs/dbraw/zinc/22/38/59/650223859.db2.gz XLGRBMISSSZRMX-UHFFFAOYSA-N 1 0 397.298 1.628 20 0 GDADRO NS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000534876218 650233141 /nfs/dbraw/zinc/23/31/41/650233141.db2.gz PKCYJGAUNFROFK-SNVBAGLBSA-N 1 0 383.297 1.486 20 0 GDADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000535037719 650238619 /nfs/dbraw/zinc/23/86/19/650238619.db2.gz RFMDGTOZMBEXQZ-UHFFFAOYSA-N 1 0 380.495 1.551 20 0 GDADRO NS(=O)(=O)c1ccc(OCC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000535546834 650249581 /nfs/dbraw/zinc/24/95/81/650249581.db2.gz BVIDLIXRXWUZOG-GOEBONIOSA-N 1 0 386.539 1.699 20 0 GDADRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000535577344 650250337 /nfs/dbraw/zinc/25/03/37/650250337.db2.gz WFHCDSYUXNRAAQ-AWEZNQCLSA-N 1 0 391.269 1.654 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)C[C@H]1C ZINC000535740975 650255226 /nfs/dbraw/zinc/25/52/26/650255226.db2.gz UTGVCRFKQQGEJF-CHWSQXEVSA-N 1 0 388.559 1.459 20 0 GDADRO CCN(CC)S(=O)(=O)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536904874 650283322 /nfs/dbraw/zinc/28/33/22/650283322.db2.gz LPLRQALKVMVGCR-IYBDPMFKSA-N 1 0 377.551 1.163 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(SCC(=O)NCCC[NH+](C)C)nc1 ZINC000537428611 650292191 /nfs/dbraw/zinc/29/21/91/650292191.db2.gz FTJGDIGFFJBWAP-UHFFFAOYSA-N 1 0 388.559 1.272 20 0 GDADRO C[N@@H+]1C[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)[C@H](c2ccccc2)C1 ZINC000538702721 650319020 /nfs/dbraw/zinc/31/90/20/650319020.db2.gz STBPQDWBTKARKY-GJZGRUSLSA-N 1 0 379.507 1.152 20 0 GDADRO COCCN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000539179503 650329813 /nfs/dbraw/zinc/32/98/13/650329813.db2.gz YTXDMMADAORILB-HNNXBMFYSA-N 1 0 375.535 1.096 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539316862 650332492 /nfs/dbraw/zinc/33/24/92/650332492.db2.gz BHWMWATUHHUTHI-UONOGXRCSA-N 1 0 381.416 1.903 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@]3(O)CCSC3)CC2)cc1 ZINC000539812561 650341498 /nfs/dbraw/zinc/34/14/98/650341498.db2.gz KFTQWLBGBAKYKQ-QGZVFWFLSA-N 1 0 386.539 1.306 20 0 GDADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000540012225 650346405 /nfs/dbraw/zinc/34/64/05/650346405.db2.gz KACAWQLLYZAKJO-WDEREUQCSA-N 1 0 379.935 1.573 20 0 GDADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000540052857 650348188 /nfs/dbraw/zinc/34/81/88/650348188.db2.gz LNNAMQFCMQJMRK-QWHCGFSZSA-N 1 0 397.317 1.528 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000540146370 650350432 /nfs/dbraw/zinc/35/04/32/650350432.db2.gz GIDOBRIJKVQLRA-GWCFXTLKSA-N 1 0 380.279 1.922 20 0 GDADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000540170678 650350907 /nfs/dbraw/zinc/35/09/07/650350907.db2.gz JOLCHKPOXHAFJJ-GFCCVEGCSA-N 1 0 375.516 1.133 20 0 GDADRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000540198841 650351139 /nfs/dbraw/zinc/35/11/39/650351139.db2.gz LQPAJEJAPFBDSJ-SNVBAGLBSA-N 1 0 379.935 1.999 20 0 GDADRO CS[C@@H]1CN(CC(=O)Nc2ccnn2Cc2cccs2)C[C@@H]1[NH+](C)C ZINC000540591760 650364230 /nfs/dbraw/zinc/36/42/30/650364230.db2.gz ZCDJYOSUNZEJNN-LSDHHAIUSA-N 1 0 379.555 1.909 20 0 GDADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)S(=O)(=O)N(C)CC(C)C ZINC000540876574 650372476 /nfs/dbraw/zinc/37/24/76/650372476.db2.gz JVMRGZPAPVSBPR-INIZCTEOSA-N 1 0 377.551 1.559 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000541322438 650382063 /nfs/dbraw/zinc/38/20/63/650382063.db2.gz LQPISYPTDNYBRA-JQFCIGGWSA-N 1 0 397.313 1.989 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1cccc(F)c1I ZINC000541534295 650386054 /nfs/dbraw/zinc/38/60/54/650386054.db2.gz VURDOVZPDBLLDM-UHFFFAOYSA-N 1 0 380.201 1.738 20 0 GDADRO O=c1n2ccccc2nn1CC[NH2+][C@@H](CCO)c1ccccc1Br ZINC000541949626 650396081 /nfs/dbraw/zinc/39/60/81/650396081.db2.gz YSABJBAUDBJUAW-HNNXBMFYSA-N 1 0 391.269 1.972 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@@H](CCO)c1ccccc1Br ZINC000541953641 650396443 /nfs/dbraw/zinc/39/64/43/650396443.db2.gz PLGDPXMYZLDIHV-AWEZNQCLSA-N 1 0 379.320 1.792 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000543527787 650423630 /nfs/dbraw/zinc/42/36/30/650423630.db2.gz RTVLYMVUNJSEME-UHFFFAOYSA-N 1 0 386.290 1.862 20 0 GDADRO CN(CC(=O)NCC1(C)CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000543744543 650429882 /nfs/dbraw/zinc/42/98/82/650429882.db2.gz HFROXFRNSLUMBS-UHFFFAOYSA-N 1 0 393.962 1.870 20 0 GDADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000543908710 650432005 /nfs/dbraw/zinc/43/20/05/650432005.db2.gz NGCZJGADOIPYNK-UHFFFAOYSA-N 1 0 382.592 1.585 20 0 GDADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545860841 650462439 /nfs/dbraw/zinc/46/24/39/650462439.db2.gz APZGBFCGYUXGFH-QGZVFWFLSA-N 1 0 399.285 1.603 20 0 GDADRO Cn1ccnc1Sc1ncc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1Cl ZINC000545863919 650462608 /nfs/dbraw/zinc/46/26/08/650462608.db2.gz QUEMCKILEDEPJQ-INIZCTEOSA-N 1 0 381.889 1.416 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000545863544 650462729 /nfs/dbraw/zinc/46/27/29/650462729.db2.gz HXGLULXHXIPZAY-UHFFFAOYSA-N 1 0 385.917 1.777 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000545870829 650463321 /nfs/dbraw/zinc/46/33/21/650463321.db2.gz YDYFOYGBXFVYSO-UHFFFAOYSA-N 1 0 377.919 1.448 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2c(F)cccc2I)C1 ZINC000545878010 650463978 /nfs/dbraw/zinc/46/39/78/650463978.db2.gz BXLWXNSEYLENLN-CYBMUJFWSA-N 1 0 378.185 1.227 20 0 GDADRO COc1ccc(C[NH2+]C[C@@](C)(O)CN2CCOCC2)c(Br)c1O ZINC000546179194 650473605 /nfs/dbraw/zinc/47/36/05/650473605.db2.gz WGRFINWSIFCCOY-MRXNPFEDSA-N 1 0 389.290 1.336 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000546587359 650480110 /nfs/dbraw/zinc/48/01/10/650480110.db2.gz WBXFDBVJWBJQEZ-MRXNPFEDSA-N 1 0 381.889 1.196 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Br)o1 ZINC000546778920 650485748 /nfs/dbraw/zinc/48/57/48/650485748.db2.gz QRPHSGDKFCSADO-WOPDTQHZSA-N 1 0 393.303 1.914 20 0 GDADRO C[C@H](COC1CCCC1)CS(=O)(=O)NCCCCN1CC[NH+](C)CC1 ZINC000549314182 650574710 /nfs/dbraw/zinc/57/47/10/650574710.db2.gz CLURVMXUPVNBLM-QGZVFWFLSA-N 1 0 375.579 1.529 20 0 GDADRO CN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000550415866 650592253 /nfs/dbraw/zinc/59/22/53/650592253.db2.gz ZUEZGGHIHBLATB-IJLUTSLNSA-N 1 0 381.464 1.885 20 0 GDADRO CC[C@H](Cn1cncn1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551304302 650603930 /nfs/dbraw/zinc/60/39/30/650603930.db2.gz GMSBNAGSQDORFS-GFCCVEGCSA-N 1 0 399.236 1.890 20 0 GDADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H](C)C1 ZINC000551370631 650605200 /nfs/dbraw/zinc/60/52/00/650605200.db2.gz MCSNXYSBXPMYKW-ZOWXZIJZSA-N 1 0 395.301 1.971 20 0 GDADRO CC[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000555085252 650685290 /nfs/dbraw/zinc/68/52/90/650685290.db2.gz CYJGTEIPAAPSAD-UHFFFAOYSA-N 1 0 380.873 1.008 20 0 GDADRO CCc1cnc(CCNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)s1 ZINC000555680007 650694663 /nfs/dbraw/zinc/69/46/63/650694663.db2.gz CXUQVOJCJUNIEG-ZDUSSCGKSA-N 1 0 380.539 1.845 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN(C)[C@H](CO)c1cccc(Br)c1 ZINC000555880422 650697137 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C[C@@H](CNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C[NH+](C)C ZINC000557465556 650726415 /nfs/dbraw/zinc/72/64/15/650726415.db2.gz FBHWSECLDPHQQL-NSHDSACASA-N 1 0 396.285 1.749 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000564484590 650759286 /nfs/dbraw/zinc/75/92/86/650759286.db2.gz QBTOFQNBGHFNST-NSHDSACASA-N 1 0 394.324 1.824 20 0 GDADRO C[NH+](C)C[C@H](CNS(=O)(=O)N1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000564458932 650758809 /nfs/dbraw/zinc/75/88/09/650758809.db2.gz MKXHCXPMUUTQMW-HNNXBMFYSA-N 1 0 389.949 1.930 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000564570191 650761747 /nfs/dbraw/zinc/76/17/47/650761747.db2.gz DQFAQMBTVXHHJB-MRVPVSSYSA-N 1 0 381.267 1.849 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000564641829 650763312 /nfs/dbraw/zinc/76/33/12/650763312.db2.gz IMGACOVMNGFCRA-QMMMGPOBSA-N 1 0 378.654 1.903 20 0 GDADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000564944190 650773984 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CCS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000567494550 650908154 /nfs/dbraw/zinc/90/81/54/650908154.db2.gz OGZSHJZEXWCWES-CYBMUJFWSA-N 1 0 397.324 1.604 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000567542620 650910433 /nfs/dbraw/zinc/91/04/33/650910433.db2.gz OOEGGZJDFFKDDS-XPKDYRNWSA-N 1 0 385.302 1.471 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567614789 650910786 /nfs/dbraw/zinc/91/07/86/650910786.db2.gz DWRVDFHUVAGVBJ-OKILXGFUSA-N 1 0 385.917 1.466 20 0 GDADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000567663236 650913431 /nfs/dbraw/zinc/91/34/31/650913431.db2.gz KQUNWWBIAMHICN-XFBWCDHKSA-N 1 0 392.301 1.936 20 0 GDADRO Cc1c(F)cccc1NC(=O)CC[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000567692008 650915365 /nfs/dbraw/zinc/91/53/65/650915365.db2.gz LXCIOOMIMPDRPM-UHFFFAOYSA-N 1 0 389.518 1.431 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000567710601 650916225 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COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1OC ZINC000568162408 650939118 /nfs/dbraw/zinc/93/91/18/650939118.db2.gz WOIJJUBYMCSIRX-KOLCDFICSA-N 1 0 376.862 1.636 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000120305884 644669483 /nfs/dbraw/zinc/66/94/83/644669483.db2.gz FPLDMKITRBSVGY-GFCCVEGCSA-N 1 0 385.917 1.804 20 0 GDADRO CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1CC[NH2+]CC1 ZINC000125460450 644713876 /nfs/dbraw/zinc/71/38/76/644713876.db2.gz VADONGVCKTXNBM-UHFFFAOYSA-N 1 0 385.917 1.949 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)NC2CCC([NH3+])CC2)ccc1Br ZINC000131705883 644746883 /nfs/dbraw/zinc/74/68/83/644746883.db2.gz BJGAMDHFDXQKJG-UHFFFAOYSA-N 1 0 375.288 1.852 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[NH+](C)C)c(Br)cc1Cl ZINC000136443541 644768697 /nfs/dbraw/zinc/76/86/97/644768697.db2.gz OFFZRSQQIDWSOJ-UHFFFAOYSA-N 1 0 399.694 1.729 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3cc(Cl)cc(C(F)(F)F)c3)CCN2C1=O ZINC000568267043 650949447 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C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415511263 645895848 /nfs/dbraw/zinc/89/58/48/645895848.db2.gz NVSPSMXATZOGHQ-SNVBAGLBSA-N 1 0 384.267 1.888 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415534343 645897472 /nfs/dbraw/zinc/89/74/72/645897472.db2.gz ATMRGYJUNPMRKO-UHFFFAOYSA-N 1 0 382.873 1.754 20 0 GDADRO C[C@@H]1CN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[NH2+]1 ZINC000417720621 645906506 /nfs/dbraw/zinc/90/65/06/645906506.db2.gz DUZDCJKCLYGDBF-SNVBAGLBSA-N 1 0 379.262 1.738 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418091956 645908460 /nfs/dbraw/zinc/90/84/60/645908460.db2.gz QMIYFFWTGIFLTD-ZFWWWQNUSA-N 1 0 395.301 1.948 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1ccc(Br)cn1 ZINC000418872197 645910161 /nfs/dbraw/zinc/91/01/61/645910161.db2.gz VJJLIKNHNPHVQG-ZBEGNZNMSA-N 1 0 381.274 1.376 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2cc(C)ccc2Br)C1 ZINC000419073253 645911979 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C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)Oc1ccc(Br)cc1 ZINC000419606317 645924098 /nfs/dbraw/zinc/92/40/98/645924098.db2.gz FSXAWOPTUORSEV-YWPYICTPSA-N 1 0 398.301 1.528 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000419607531 645924544 /nfs/dbraw/zinc/92/45/44/645924544.db2.gz HJVZEDWNGVPYOR-DYEKYZERSA-N 1 0 398.301 1.576 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419646572 645926393 /nfs/dbraw/zinc/92/63/93/645926393.db2.gz ZDVATPOLCWGHDT-BPNCWPANSA-N 1 0 384.274 1.201 20 0 GDADRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419710974 645927790 /nfs/dbraw/zinc/92/77/90/645927790.db2.gz MMCLCWICWWJIJL-DGCLKSJQSA-N 1 0 393.303 1.238 20 0 GDADRO CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H](O)C(F)F ZINC000419710562 645927816 /nfs/dbraw/zinc/92/78/16/645927816.db2.gz LNQHIVVBXKILAV-ONGXEEELSA-N 1 0 387.246 1.591 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419765919 645930740 /nfs/dbraw/zinc/93/07/40/645930740.db2.gz XYSFCAYWCBNCRH-YPMHNXCESA-N 1 0 385.295 1.509 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419768710 645931302 /nfs/dbraw/zinc/93/13/02/645931302.db2.gz BXSCLJQCZYPYRU-OTYXRUKQSA-N 1 0 386.265 1.961 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000419771846 645931619 /nfs/dbraw/zinc/93/16/19/645931619.db2.gz FYCHIVZUKCGORV-NSHDSACASA-N 1 0 398.301 1.845 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000420068419 645934858 /nfs/dbraw/zinc/93/48/58/645934858.db2.gz UVHFBYPNWVVMCO-AWEZNQCLSA-N 1 0 384.274 1.270 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000420158876 645937012 /nfs/dbraw/zinc/93/70/12/645937012.db2.gz CKLHDNTYMNRGAH-LLVKDONJSA-N 1 0 384.274 1.284 20 0 GDADRO C[C@H]1CN(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC[NH2+]1 ZINC000420330810 645940424 /nfs/dbraw/zinc/94/04/24/645940424.db2.gz CDTUSKDYCOLPFC-LBPRGKRZSA-N 1 0 388.921 1.213 20 0 GDADRO O=C1[C@H](N2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1cccc(Br)c1 ZINC000420350201 645940806 /nfs/dbraw/zinc/94/08/06/645940806.db2.gz RZMBZPBMUHYJGN-DLBZAZTESA-N 1 0 393.329 1.534 20 0 GDADRO C[C@@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)[C@@H](C)C[NH2+]1 ZINC000420378786 645942047 /nfs/dbraw/zinc/94/20/47/645942047.db2.gz BMFMNLUDGSHWJQ-NEPJUHHUSA-N 1 0 383.290 1.186 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000420393536 645942645 /nfs/dbraw/zinc/94/26/45/645942645.db2.gz JWGBWIPEVYPVPH-NWDGAFQWSA-N 1 0 388.921 1.211 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000420411970 645942652 /nfs/dbraw/zinc/94/26/52/645942652.db2.gz YXNRQNQRSQEKKF-UONOGXRCSA-N 1 0 384.318 1.969 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420473526 645943886 /nfs/dbraw/zinc/94/38/86/645943886.db2.gz DIQLIVVAQMMLPH-AAEUAGOBSA-N 1 0 378.878 1.020 20 0 GDADRO CO[C@H](CC(C)C)CS(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000420672134 645949833 /nfs/dbraw/zinc/94/98/33/645949833.db2.gz XCFCOOAXEHNJBO-GOSISDBHSA-N 1 0 376.563 1.812 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000570912238 651059866 /nfs/dbraw/zinc/05/98/66/651059866.db2.gz KKCUHZNXPONVFA-CYBMUJFWSA-N 1 0 386.327 1.729 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000570920111 651060060 /nfs/dbraw/zinc/06/00/60/651060060.db2.gz NBNZPABOZSQOKH-RYUDHWBXSA-N 1 0 391.946 1.670 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(Br)c2Cl)CC1 ZINC000420782233 645969174 /nfs/dbraw/zinc/96/91/74/645969174.db2.gz CULUDSHULNZDCR-UHFFFAOYSA-N 1 0 388.693 1.929 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000420792362 645969807 /nfs/dbraw/zinc/96/98/07/645969807.db2.gz PPPQKUDNPLRISP-HNNXBMFYSA-N 1 0 395.301 1.718 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000421147620 645984127 /nfs/dbraw/zinc/98/41/27/645984127.db2.gz FATKBOBCCTXWOD-UHFFFAOYSA-N 1 0 394.313 1.851 20 0 GDADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(S(C)(=O)=O)s2)ccn1 ZINC000421504291 646011982 /nfs/dbraw/zinc/01/19/82/646011982.db2.gz ZNKHPPIEWFXOQA-UHFFFAOYSA-N 1 0 383.495 1.417 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000422127642 646043898 /nfs/dbraw/zinc/04/38/98/646043898.db2.gz DMWOEGRLZGIFCV-NSHDSACASA-N 1 0 394.324 1.824 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422285382 646056378 /nfs/dbraw/zinc/05/63/78/646056378.db2.gz KTPJLLVCKNWJRC-CQSZACIVSA-N 1 0 398.301 1.627 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422422075 646066919 /nfs/dbraw/zinc/06/69/19/646066919.db2.gz FYPZCVALPHDSNX-MLGOLLRUSA-N 1 0 394.313 1.707 20 0 GDADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C[C@@H]1C[NH3+] ZINC000422551168 646077418 /nfs/dbraw/zinc/07/74/18/646077418.db2.gz CWONYECLSJEPHP-WOPDTQHZSA-N 1 0 389.905 1.198 20 0 GDADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C[C@H]1C[NH3+] ZINC000422556545 646078554 /nfs/dbraw/zinc/07/85/54/646078554.db2.gz TYVSSEFKPQBPJR-GRYCIOLGSA-N 1 0 393.506 1.191 20 0 GDADRO CC(C)(CC[NH3+])NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000422558710 646079046 /nfs/dbraw/zinc/07/90/46/646079046.db2.gz ZMBCZAZAKFUMFZ-UHFFFAOYSA-N 1 0 390.303 1.740 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422717360 646097442 /nfs/dbraw/zinc/09/74/42/646097442.db2.gz VMGLDOYIACOTQY-NUEKZKHPSA-N 1 0 382.302 1.911 20 0 GDADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000422943550 646101999 /nfs/dbraw/zinc/10/19/99/646101999.db2.gz YEFLTNNOHZEPBU-JSGCOSHPSA-N 1 0 385.258 1.604 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc1Br ZINC000422968448 646104461 /nfs/dbraw/zinc/10/44/61/646104461.db2.gz QXKCQSPRKMRSGC-UHFFFAOYSA-N 1 0 396.285 1.428 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000422968294 646104519 /nfs/dbraw/zinc/10/45/19/646104519.db2.gz WFHUNPKGTORDOD-ZDUSSCGKSA-N 1 0 388.251 1.168 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000422996368 646106788 /nfs/dbraw/zinc/10/67/88/646106788.db2.gz LQQJOYXAQCIRBQ-GASCZTMLSA-N 1 0 380.286 1.760 20 0 GDADRO OC[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)Cc1ccccc1Br ZINC000423075365 646111638 /nfs/dbraw/zinc/11/16/38/646111638.db2.gz OJVZGTODAPHRBE-KKXDTOCCSA-N 1 0 383.330 1.957 20 0 GDADRO O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1)c1ccc(Cl)cc1F ZINC000423100952 646113902 /nfs/dbraw/zinc/11/39/02/646113902.db2.gz NDBNQHSUHBJNRG-GDBMZVCRSA-N 1 0 391.896 1.114 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000423177838 646118052 /nfs/dbraw/zinc/11/80/52/646118052.db2.gz JSBPEXBAIQNQJQ-LSDHHAIUSA-N 1 0 396.285 1.299 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000423183099 646118713 /nfs/dbraw/zinc/11/87/13/646118713.db2.gz RDHRICJLIHJZHQ-SWLSCSKDSA-N 1 0 396.285 1.156 20 0 GDADRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2c(Br)cccc2C1 ZINC000423231813 646119052 /nfs/dbraw/zinc/11/90/52/646119052.db2.gz MBIVRVRKKINSLU-JSGCOSHPSA-N 1 0 392.297 1.402 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423231943 646119323 /nfs/dbraw/zinc/11/93/23/646119323.db2.gz BJOJYLVZZVBTAL-SWLSCSKDSA-N 1 0 386.279 1.714 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C1 ZINC000423245607 646121950 /nfs/dbraw/zinc/12/19/50/646121950.db2.gz OXXUEQNNUBUJHH-HNNXBMFYSA-N 1 0 396.329 1.908 20 0 GDADRO COCC[NH2+]CCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423341338 646123242 /nfs/dbraw/zinc/12/32/42/646123242.db2.gz UEKQSXBOPZIXNJ-CYBMUJFWSA-N 1 0 377.304 1.493 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423378686 646123970 /nfs/dbraw/zinc/12/39/70/646123970.db2.gz MOMCLUDKUQCKMM-UHFFFAOYSA-N 1 0 380.286 1.371 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423529981 646127907 /nfs/dbraw/zinc/12/79/07/646127907.db2.gz OWRZKUPXUDOCAR-WCQYABFASA-N 1 0 386.279 1.793 20 0 GDADRO C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423530404 646128321 /nfs/dbraw/zinc/12/83/21/646128321.db2.gz WQIIDFJIKCZRLH-SMDDNHRTSA-N 1 0 384.274 1.155 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000423535701 646128887 /nfs/dbraw/zinc/12/88/87/646128887.db2.gz YBNJCLPXHYNBOX-WCQYABFASA-N 1 0 386.279 1.793 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C[C@H]1[NH3+] ZINC000423534190 646129038 /nfs/dbraw/zinc/12/90/38/646129038.db2.gz VLBRAJWRBMCMOL-IXPVHAAZSA-N 1 0 386.279 1.779 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000423562933 646130166 /nfs/dbraw/zinc/13/01/66/646130166.db2.gz HKPAQECELGYQCS-GHMZBOCLSA-N 1 0 386.315 1.994 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423567522 646130959 /nfs/dbraw/zinc/13/09/59/646130959.db2.gz DBVJGJLFIDEOKA-GXTWGEPZSA-N 1 0 394.313 1.920 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000423577680 646132127 /nfs/dbraw/zinc/13/21/27/646132127.db2.gz ISMKBXZJQUMUCI-UHFFFAOYSA-N 1 0 398.301 1.613 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000423589681 646134470 /nfs/dbraw/zinc/13/44/70/646134470.db2.gz CQYRWAKEGQCOKO-CYBMUJFWSA-N 1 0 394.313 1.759 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423597786 646135713 /nfs/dbraw/zinc/13/57/13/646135713.db2.gz OQFOBGGDBIWVJJ-UKRRQHHQSA-N 1 0 394.313 1.866 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000423613658 646137011 /nfs/dbraw/zinc/13/70/11/646137011.db2.gz PGDBHQSYKGBBFW-ZDUSSCGKSA-N 1 0 384.933 1.256 20 0 GDADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000423612080 646137227 /nfs/dbraw/zinc/13/72/27/646137227.db2.gz NOQGBSXRJKIIBN-CWRNSKLLSA-N 1 0 394.313 1.646 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)C1 ZINC000423617826 646137775 /nfs/dbraw/zinc/13/77/75/646137775.db2.gz XVRNOHBYZSIJEF-HOCLYGCPSA-N 1 0 394.313 1.660 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423625562 646138558 /nfs/dbraw/zinc/13/85/58/646138558.db2.gz DCTVGBFGQOCFRG-TZMCWYRMSA-N 1 0 382.302 1.646 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000423623569 646138631 /nfs/dbraw/zinc/13/86/31/646138631.db2.gz OKVRXDCEZHPTCT-CYBMUJFWSA-N 1 0 398.301 1.756 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000423654405 646139876 /nfs/dbraw/zinc/13/98/76/646139876.db2.gz ARIIVXLQVBAQEH-GWCFXTLKSA-N 1 0 375.288 1.312 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000423661462 646140793 /nfs/dbraw/zinc/14/07/93/646140793.db2.gz LLSWCQLYWJMFLH-ZFWWWQNUSA-N 1 0 394.313 1.833 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000423670178 646141483 /nfs/dbraw/zinc/14/14/83/646141483.db2.gz LWBMTLUKEJFLBX-HUUCEWRRSA-N 1 0 398.301 1.372 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000423688231 646143268 /nfs/dbraw/zinc/14/32/68/646143268.db2.gz WYYHEWGSPNIARW-JSGCOSHPSA-N 1 0 380.286 1.585 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000423689728 646143355 /nfs/dbraw/zinc/14/33/55/646143355.db2.gz YCPWQXYMHYDDFD-XVKPBYJWSA-N 1 0 379.251 1.553 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000423691405 646143395 /nfs/dbraw/zinc/14/33/95/646143395.db2.gz IUFMJQCCDXMGEW-RDTXWAMCSA-N 1 0 394.313 1.962 20 0 GDADRO C[C@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000423947008 646145262 /nfs/dbraw/zinc/14/52/62/646145262.db2.gz CXPTUIBACVNXSF-NOZJJQNGSA-N 1 0 396.285 1.923 20 0 GDADRO CN(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H](C[NH3+])C1CC1 ZINC000423952112 646146492 /nfs/dbraw/zinc/14/64/92/646146492.db2.gz PJKWBTMHABQSNC-OAHLLOKOSA-N 1 0 385.555 1.661 20 0 GDADRO COc1ccc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000423994271 646150584 /nfs/dbraw/zinc/15/05/84/646150584.db2.gz CAGJLOLAENPBTL-CYBMUJFWSA-N 1 0 394.273 1.985 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCO2)nn1-c1ccc(Br)cc1 ZINC000423996027 646151317 /nfs/dbraw/zinc/15/13/17/646151317.db2.gz VXNKQCFAUHQLIB-CQSZACIVSA-N 1 0 379.258 1.661 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424008784 646152777 /nfs/dbraw/zinc/15/27/77/646152777.db2.gz WKNHFKVYNAJWOH-CYBMUJFWSA-N 1 0 399.925 1.853 20 0 GDADRO C[NH2+]CCCN(C)C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000424030396 646155115 /nfs/dbraw/zinc/15/51/15/646155115.db2.gz GQSNLXZWQDJRFJ-UHFFFAOYSA-N 1 0 387.552 1.970 20 0 GDADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424048159 646156009 /nfs/dbraw/zinc/15/60/09/646156009.db2.gz YJHUXNBMLPAHCZ-CUSZFKRNSA-N 1 0 377.282 1.852 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000424062070 646158310 /nfs/dbraw/zinc/15/83/10/646158310.db2.gz RXSXZMQBOVHGLI-GFCCVEGCSA-N 1 0 386.279 1.659 20 0 GDADRO COCc1nc(CSCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cs1 ZINC000437417175 646209063 /nfs/dbraw/zinc/20/90/63/646209063.db2.gz GWAMGVZKLFLYHR-HNNXBMFYSA-N 1 0 387.571 1.996 20 0 GDADRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(N)=O ZINC000439440001 646232475 /nfs/dbraw/zinc/23/24/75/646232475.db2.gz PBOKOXWORBDJCV-YPMHNXCESA-N 1 0 377.254 1.818 20 0 GDADRO C[C@H]1CN(C[C@H](O)COc2cc(F)cc(Br)c2)CC[N@@H+]1CCO ZINC000439442235 646233223 /nfs/dbraw/zinc/23/32/23/646233223.db2.gz LIYUNBIZWTVRQX-WFASDCNBSA-N 1 0 391.281 1.326 20 0 GDADRO CSc1ccccc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000440733485 646253419 /nfs/dbraw/zinc/25/34/19/646253419.db2.gz KBBBIRLARDGRBS-CQSZACIVSA-N 1 0 383.539 1.241 20 0 GDADRO COCCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000441365333 646255557 /nfs/dbraw/zinc/25/55/57/646255557.db2.gz KQEYYDFJXHMMMI-CYBMUJFWSA-N 1 0 379.885 1.068 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000442531764 646268890 /nfs/dbraw/zinc/26/88/90/646268890.db2.gz UQAKMWXCUYXTNP-LSDHHAIUSA-N 1 0 377.576 1.038 20 0 GDADRO C[C@@H](CCNS(=O)(=O)Cc1cc2c(cc1Br)OCO2)[NH+](C)C ZINC000917236694 660208914 /nfs/dbraw/zinc/20/89/14/660208914.db2.gz BAZZHEOBSFPENC-JTQLQIEISA-N 1 0 393.303 1.937 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000917650395 660218383 /nfs/dbraw/zinc/21/83/83/660218383.db2.gz CFVCNZHBTBCLQI-UHFFFAOYSA-N 1 0 385.921 1.294 20 0 GDADRO O=C(NC1CC[NH+](CCO)CC1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000917837554 660222410 /nfs/dbraw/zinc/22/24/10/660222410.db2.gz OALMRHLMCCXVLO-AWEZNQCLSA-N 1 0 398.305 1.542 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000917897786 660224002 /nfs/dbraw/zinc/22/40/02/660224002.db2.gz DALJYVXLYZEYQF-UHFFFAOYSA-N 1 0 378.325 1.861 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(I)s2)CC[C@H]1[NH3+] ZINC000903485681 659316737 /nfs/dbraw/zinc/31/67/37/659316737.db2.gz DCEOSVUOWMEEIJ-HTQZYQBOSA-N 1 0 386.280 1.711 20 0 GDADRO COCC[NH2+]CCNS(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC000903495808 659318436 /nfs/dbraw/zinc/31/84/36/659318436.db2.gz MWFYIJURMFNMOY-UHFFFAOYSA-N 1 0 376.276 1.445 20 0 GDADRO O=C(CCn1cc(Br)cn1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000918696742 660239576 /nfs/dbraw/zinc/23/95/76/660239576.db2.gz HIOJNCRJZRGVHK-HNNXBMFYSA-N 1 0 385.306 1.795 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000918945238 660243228 /nfs/dbraw/zinc/24/32/28/660243228.db2.gz CPRPDRAQAUZBOF-INIZCTEOSA-N 1 0 390.889 1.188 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000918948181 660243469 /nfs/dbraw/zinc/24/34/69/660243469.db2.gz XMNCCJWYWNGDAZ-AWEZNQCLSA-N 1 0 382.404 1.662 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)Cc2ccccc2Br)C1 ZINC000918960969 660243859 /nfs/dbraw/zinc/24/38/59/660243859.db2.gz BYOKDCZNXDHUNL-HNNXBMFYSA-N 1 0 391.331 1.667 20 0 GDADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000442762306 647162807 /nfs/dbraw/zinc/16/28/07/647162807.db2.gz HAGQVJBYYSPEGS-UHFFFAOYSA-N 1 0 381.420 1.832 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000443292500 647197558 /nfs/dbraw/zinc/19/75/58/647197558.db2.gz HMSVLHSTBXHQJY-CYBMUJFWSA-N 1 0 381.420 1.472 20 0 GDADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1csnc1C(=O)OC)CC(C)C ZINC000443480220 647210143 /nfs/dbraw/zinc/21/01/43/647210143.db2.gz AXBZFNYTFAKZOI-LBPRGKRZSA-N 1 0 377.532 1.965 20 0 GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000443715661 647221769 /nfs/dbraw/zinc/22/17/69/647221769.db2.gz CJBZBJNJCGGCEH-MRXNPFEDSA-N 1 0 386.495 1.279 20 0 GDADRO O=S(=O)(CCc1cccs1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000443907130 647228233 /nfs/dbraw/zinc/22/82/33/647228233.db2.gz KHMXQJDQOCUXRR-SFHVURJKSA-N 1 0 380.535 1.847 20 0 GDADRO CO[C@H](CC(C)C)CS(=O)(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920273690 660268458 /nfs/dbraw/zinc/26/84/58/660268458.db2.gz JISFKGIFURLHSD-DZVNLGKHSA-N 1 0 376.563 1.447 20 0 GDADRO COc1cc(CS(=O)(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)sn1 ZINC000920274302 660268483 /nfs/dbraw/zinc/26/84/83/660268483.db2.gz MTACTAZEOOOZRR-XOUADPBQSA-N 1 0 389.543 1.051 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3sc(C)nc3C)C2)[C@H]1C(C)C ZINC000920302995 660269457 /nfs/dbraw/zinc/26/94/57/660269457.db2.gz KKSFIIFSOANALF-KCYZZUKISA-N 1 0 387.571 1.908 20 0 GDADRO CCOCC[C@@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000444648110 647256340 /nfs/dbraw/zinc/25/63/40/647256340.db2.gz MYQWPYDBGKUOGY-CYBMUJFWSA-N 1 0 376.441 1.062 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)C[C@@H](OC)C(C)C)C2)[C@@H]1C(C)C ZINC000920304458 660269804 /nfs/dbraw/zinc/26/98/04/660269804.db2.gz ZMKKMBVUEIBAJW-DZVNLGKHSA-N 1 0 376.563 1.447 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)C1 ZINC000445553133 647269809 /nfs/dbraw/zinc/26/98/09/647269809.db2.gz LHNIWOACMUKJTO-HTQZYQBOSA-N 1 0 389.275 1.579 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCN2CCc3sccc3C2)cc1 ZINC000920092454 660265757 /nfs/dbraw/zinc/26/57/57/660265757.db2.gz YQHHXHTUJMRDDN-KRWDZBQOSA-N 1 0 380.535 1.833 20 0 GDADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000452088858 647313335 /nfs/dbraw/zinc/31/33/35/647313335.db2.gz PAKNRCYJKIYWEA-UHFFFAOYSA-N 1 0 393.506 1.350 20 0 GDADRO O=C(COc1ccc(Br)cc1F)NC[C@H]1CCCC[N@H+]1CCO ZINC000452388661 647322526 /nfs/dbraw/zinc/32/25/26/647322526.db2.gz JYDOYHIHLWCYMA-CYBMUJFWSA-N 1 0 389.265 1.930 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1)[NH+](C)C ZINC000453954059 647349588 /nfs/dbraw/zinc/34/95/88/647349588.db2.gz DKIQTABTXFCKGB-VIFPVBQESA-N 1 0 385.255 1.579 20 0 GDADRO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000454623146 647358467 /nfs/dbraw/zinc/35/84/67/647358467.db2.gz RUUCFVUPRWZXCM-DLUDVSRJSA-N 1 0 375.535 1.203 20 0 GDADRO CSC1(CNC(=O)NCc2nn(C)cc2Br)CC[NH+](C)CC1 ZINC000454980617 647367184 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CCOC(=O)C1CCN(S(=O)(=O)N2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC000462597403 647534244 /nfs/dbraw/zinc/53/42/44/647534244.db2.gz SJGLSLJETGZZDK-OAHLLOKOSA-N 1 0 375.535 1.170 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000921391130 660295773 /nfs/dbraw/zinc/29/57/73/660295773.db2.gz CBFOKQMJUVEXRL-LBPRGKRZSA-N 1 0 377.308 1.658 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)CC)C1 ZINC000464550965 647584021 /nfs/dbraw/zinc/58/40/21/647584021.db2.gz QPKHXNKHCXEWRZ-CABCVRRESA-N 1 0 379.592 1.238 20 0 GDADRO COC(=O)C[C@]1([NH2+]CC(=O)NCCc2cccc(Cl)c2Cl)CCOC1 ZINC000464590931 647584803 /nfs/dbraw/zinc/58/48/03/647584803.db2.gz CUMXWIGMPUCVLO-QGZVFWFLSA-N 1 0 389.279 1.964 20 0 GDADRO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](C)CS(=O)(=O)CC)CC1 ZINC000465925139 647605518 /nfs/dbraw/zinc/60/55/18/647605518.db2.gz DEHUVIBJBXOGGZ-OAHLLOKOSA-N 1 0 377.551 1.342 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)[nH]1 ZINC000467520911 647646201 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GDADRO COc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1Br ZINC000491284727 647992343 /nfs/dbraw/zinc/99/23/43/647992343.db2.gz QWWVTWREKBLORN-UHFFFAOYSA-N 1 0 384.274 1.998 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000491346565 647993495 /nfs/dbraw/zinc/99/34/95/647993495.db2.gz NHFDFYRHUZQTPS-UHFFFAOYSA-N 1 0 391.559 1.382 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494279012 648004814 /nfs/dbraw/zinc/00/48/14/648004814.db2.gz GIKGFKLYXDOOAW-UHFFFAOYSA-N 1 0 385.349 1.586 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000495625659 648014436 /nfs/dbraw/zinc/01/44/36/648014436.db2.gz QCXSUPGBONISQV-UHFFFAOYSA-N 1 0 384.267 1.074 20 0 GDADRO Cc1ccc(O[C@H](C)C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000495766722 648015670 /nfs/dbraw/zinc/01/56/70/648015670.db2.gz UAKYGQLBEJJCOW-CYBMUJFWSA-N 1 0 398.301 1.415 20 0 GDADRO Cn1ncc(N2CCC(CC[NH+]3CCOCC3)CC2)c(Br)c1=O ZINC000496879652 648020394 /nfs/dbraw/zinc/02/03/94/648020394.db2.gz CRUHDDJCQGLHDW-UHFFFAOYSA-N 1 0 385.306 1.482 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000497358874 648027436 /nfs/dbraw/zinc/02/74/36/648027436.db2.gz XQXCQUHEXWVDML-PBWFPOADSA-N 1 0 392.930 1.446 20 0 GDADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000497363956 648028055 /nfs/dbraw/zinc/02/80/55/648028055.db2.gz KEOLITBVTZUJKF-ZDUSSCGKSA-N 1 0 375.560 1.587 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000497369031 648028335 /nfs/dbraw/zinc/02/83/35/648028335.db2.gz QJWOZYRVQZMWOB-GWCFXTLKSA-N 1 0 380.919 1.242 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNC(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000497610534 648033967 /nfs/dbraw/zinc/03/39/67/648033967.db2.gz XSNXZBKQEWDSGW-LBPRGKRZSA-N 1 0 376.366 1.800 20 0 GDADRO [NH3+][C@@H](CC(F)F)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000498208692 648051353 /nfs/dbraw/zinc/05/13/53/648051353.db2.gz SSTRFHDMJIZULA-NSHDSACASA-N 1 0 378.217 1.668 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cn2cc(Br)cn2)on1 ZINC000502011416 648151468 /nfs/dbraw/zinc/15/14/68/648151468.db2.gz VTZATLKLAOGNNF-LLVKDONJSA-N 1 0 380.246 1.648 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000502081588 648153560 /nfs/dbraw/zinc/15/35/60/648153560.db2.gz TWVVNWONYXNZNT-LBPRGKRZSA-N 1 0 399.289 1.209 20 0 GDADRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CCN1CCCS1(=O)=O ZINC000502241277 648160981 /nfs/dbraw/zinc/16/09/81/648160981.db2.gz HYUJUHTZJCORPH-UHFFFAOYSA-N 1 0 381.420 1.883 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000507338536 648241596 /nfs/dbraw/zinc/24/15/96/648241596.db2.gz GDSMYFMCCGEGLC-AWEZNQCLSA-N 1 0 387.933 1.999 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CN1C1CC1 ZINC000509402097 648285565 /nfs/dbraw/zinc/28/55/65/648285565.db2.gz JZFBDKKFURUMJT-DGCLKSJQSA-N 1 0 375.897 1.972 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1OC ZINC000509436361 648287647 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CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](CCO)c2ccccc2Br)C1 ZINC000514231771 648451069 /nfs/dbraw/zinc/45/10/69/648451069.db2.gz CIQZDIKPTZTIJK-WFASDCNBSA-N 1 0 391.331 1.744 20 0 GDADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000514688647 648460380 /nfs/dbraw/zinc/46/03/80/648460380.db2.gz RYPAJGLLJOYSKL-OAHLLOKOSA-N 1 0 383.543 1.889 20 0 GDADRO COC1CC([NH2+]CCNS(=O)(=O)c2cc(C)ccc2Br)C1 ZINC000514818655 648466929 /nfs/dbraw/zinc/46/69/29/648466929.db2.gz SKSFZAVZAYUKLS-UHFFFAOYSA-N 1 0 377.304 1.803 20 0 GDADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCc2cccc(Br)c2C1 ZINC000514854954 648469246 /nfs/dbraw/zinc/46/92/46/648469246.db2.gz CMOOBZZSBVMRTG-CZUORRHYSA-N 1 0 392.297 1.544 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1ccc(I)cc1 ZINC000516854941 648538636 /nfs/dbraw/zinc/53/86/36/648538636.db2.gz CNYMNLCDWWZVKB-UHFFFAOYSA-N 1 0 387.221 1.346 20 0 GDADRO C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C1(S(C)(=O)=O)CC1 ZINC000517048208 648553721 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O=S1(=O)CCO[C@@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000576191764 651642695 /nfs/dbraw/zinc/64/26/95/651642695.db2.gz SNQMHXAFXXTZOH-LBPRGKRZSA-N 1 0 385.283 1.901 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000576465833 651666937 /nfs/dbraw/zinc/66/69/37/651666937.db2.gz MIRNPZDZVMZZJA-CZUORRHYSA-N 1 0 385.917 1.609 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3cc(F)ccc3Br)CCN2C1=O ZINC000576480856 651668280 /nfs/dbraw/zinc/66/82/80/651668280.db2.gz WPIANDZFBXCTIZ-WCQYABFASA-N 1 0 385.237 1.042 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)COc2ccc(C)cc2)s1 ZINC000576630275 651677880 /nfs/dbraw/zinc/67/78/80/651677880.db2.gz LKLPBMLSSPUNEK-HNNXBMFYSA-N 1 0 384.523 1.673 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1Br ZINC000576636372 651678137 /nfs/dbraw/zinc/67/81/37/651678137.db2.gz DWMFHTGOFAOSQD-IUCAKERBSA-N 1 0 386.246 1.416 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COC2CCOCC2)cc1Cl ZINC000576979805 651698384 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388.281 1.915 20 0 GDADRO CN(CCCC[NH+](C)C)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000607033379 652786124 /nfs/dbraw/zinc/78/61/24/652786124.db2.gz STADKVVXULLNSW-UHFFFAOYSA-N 1 0 375.922 1.809 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C[C@H]1C ZINC000607161027 652792790 /nfs/dbraw/zinc/79/27/90/652792790.db2.gz GMNOJCYVJBAQRN-ZBFHGGJFSA-N 1 0 388.555 1.725 20 0 GDADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(I)c[nH]2)CC1 ZINC000609664173 652854135 /nfs/dbraw/zinc/85/41/35/652854135.db2.gz SVRUMZIZVPSTCS-UHFFFAOYSA-N 1 0 390.269 1.377 20 0 GDADRO CC1CC[NH+](CCCCNC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000612674610 652940548 /nfs/dbraw/zinc/94/05/48/652940548.db2.gz CNLKDWPBWKTJJO-UHFFFAOYSA-N 1 0 376.567 1.516 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613553320 652958623 /nfs/dbraw/zinc/95/86/23/652958623.db2.gz YTPOJKLTEDLDNH-ZIAGYGMSSA-N 1 0 382.302 1.438 20 0 GDADRO CCC[C@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)S(N)(=O)=O ZINC000614247930 652959655 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C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000629821007 653183777 /nfs/dbraw/zinc/18/37/77/653183777.db2.gz FJDWBONRLFHWBH-NJZAAPMLSA-N 1 0 380.286 1.713 20 0 GDADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000629821312 653184227 /nfs/dbraw/zinc/18/42/27/653184227.db2.gz INXCRAWYEMNYSX-KCQAQPDRSA-N 1 0 394.313 1.974 20 0 GDADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000629821318 653184230 /nfs/dbraw/zinc/18/42/30/653184230.db2.gz INXCRAWYEMNYSX-VNHYZAJKSA-N 1 0 394.313 1.974 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)c(C)s1 ZINC000629953325 653194366 /nfs/dbraw/zinc/19/43/66/653194366.db2.gz QHZULKUHHWXNTH-UHFFFAOYSA-N 1 0 385.555 1.682 20 0 GDADRO O=C1COc2ccc(Br)cc2N1Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604660 653217940 /nfs/dbraw/zinc/21/79/40/653217940.db2.gz CUVMNOBZAGKVSU-GFCCVEGCSA-N 1 0 392.257 1.718 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+]C[C@]2(CO)CCc3ccccc32)ccc1Cl ZINC000631167468 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COc1ccccc1SC[C@@H](C)CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631918309 653270347 /nfs/dbraw/zinc/27/03/47/653270347.db2.gz YTTQEEXDKOSCLR-AWEZNQCLSA-N 1 0 387.571 1.942 20 0 GDADRO Cc1ccc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)c(OCC(F)(F)F)c1 ZINC000631925976 653272048 /nfs/dbraw/zinc/27/20/48/653272048.db2.gz KMLWBTGPVCZYAN-CYBMUJFWSA-N 1 0 382.404 1.344 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000631935612 653274184 /nfs/dbraw/zinc/27/41/84/653274184.db2.gz XLBKXSPLMWQTOD-KCJUWKMLSA-N 1 0 388.291 1.077 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC12CCOCC2 ZINC000631940775 653275439 /nfs/dbraw/zinc/27/54/39/653275439.db2.gz GNAGTRPOZQYXTH-NSHDSACASA-N 1 0 375.878 1.581 20 0 GDADRO CC(F)(F)CCS(=O)(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000631944660 653275717 /nfs/dbraw/zinc/27/57/17/653275717.db2.gz CVMGNBRWBKDTNC-UHFFFAOYSA-N 1 0 375.485 1.945 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC000631944631 653275799 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386.539 1.470 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000632068313 653299720 /nfs/dbraw/zinc/29/97/20/653299720.db2.gz ARJJAYXSXHVUPU-HUUCEWRRSA-N 1 0 385.496 1.912 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000632080922 653302082 /nfs/dbraw/zinc/30/20/82/653302082.db2.gz NZXYLZXWJVJVFR-UHFFFAOYSA-N 1 0 383.411 1.300 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)F)o2)CC1 ZINC000632112661 653307718 /nfs/dbraw/zinc/30/77/18/653307718.db2.gz FBQZUTMDMDWQAN-LLVKDONJSA-N 1 0 377.413 1.144 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCCOc2ccccc2Cl)CC1 ZINC000632135497 653311149 /nfs/dbraw/zinc/31/11/49/653311149.db2.gz FBRKTTCSDNFBJT-UHFFFAOYSA-N 1 0 375.922 1.276 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@H](c2cccs2)C(C)(C)CO)CC1 ZINC000632341415 653341643 /nfs/dbraw/zinc/34/16/43/653341643.db2.gz JGNPMPPSRPOCJS-MRXNPFEDSA-N 1 0 389.587 1.365 20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000632350261 653342753 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O=C(Nc1cc(Br)ccc1N1CCCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633029771 653422047 /nfs/dbraw/zinc/42/20/47/653422047.db2.gz NIXVCYPNSKIBND-STQMWFEESA-N 1 0 393.285 1.561 20 0 GDADRO O=C(Nc1ncc(Cc2ccccc2Cl)s1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633030466 653422138 /nfs/dbraw/zinc/42/21/38/653422138.db2.gz UOSKFLIIZYQTGI-RYUDHWBXSA-N 1 0 376.869 1.899 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c(Cl)cc1Br ZINC000633037764 653423078 /nfs/dbraw/zinc/42/30/78/653423078.db2.gz VAPRURXSYWBMKN-YUMQZZPRSA-N 1 0 390.665 1.998 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc(OC)c1Br ZINC000633043239 653423868 /nfs/dbraw/zinc/42/38/68/653423868.db2.gz YTOQNGDFMTZENA-DTWKUNHWSA-N 1 0 386.246 1.353 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)C2 ZINC000633112256 653428587 /nfs/dbraw/zinc/42/85/87/653428587.db2.gz CZAPTCCHFCLAKE-TZMCWYRMSA-N 1 0 394.313 1.838 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N1CCC(C[NH3+])CC1)C2 ZINC000633114296 653428900 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379.258 1.579 20 0 GDADRO CNS(=O)(=O)CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000633472435 653448883 /nfs/dbraw/zinc/44/88/83/653448883.db2.gz ZGJOSHBWEZMRPL-ZFWWWQNUSA-N 1 0 388.559 1.370 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])c3ccccc32)cc1 ZINC000634533143 653493747 /nfs/dbraw/zinc/49/37/47/653493747.db2.gz CQWJJZRBOMTXEH-CYBMUJFWSA-N 1 0 380.491 1.731 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634722557 653497555 /nfs/dbraw/zinc/49/75/55/653497555.db2.gz QYAPAHPUYQDYIX-CYBMUJFWSA-N 1 0 375.263 1.235 20 0 GDADRO O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)NCC(=O)Nc1ccccc1Br ZINC000634781356 653498799 /nfs/dbraw/zinc/49/87/99/653498799.db2.gz WSSOQFZPTDKWKU-TXEJJXNPSA-N 1 0 382.258 1.082 20 0 GDADRO COCCOCC[N@H+](C)CCC(=O)Nc1cc(Br)c[nH]c1=O ZINC000635424775 653516903 /nfs/dbraw/zinc/51/69/03/653516903.db2.gz MSAKOZVCHVOGOI-UHFFFAOYSA-N 1 0 376.251 1.473 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC(Cc2ccccc2Br)C1 ZINC000636766981 653525231 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C[NH+](C)CCOC1CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000638061547 653535368 /nfs/dbraw/zinc/53/53/68/653535368.db2.gz IASBYXZUEQBDGT-UHFFFAOYSA-N 1 0 375.922 1.530 20 0 GDADRO [NH3+]C[C@]1(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCCOC1 ZINC000638302383 653537756 /nfs/dbraw/zinc/53/77/56/653537756.db2.gz YAWUGDTVWGGDBP-RHSMWYFYSA-N 1 0 386.279 1.970 20 0 GDADRO CC(C)[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)N1CCOCC1 ZINC000638321606 653538135 /nfs/dbraw/zinc/53/81/35/653538135.db2.gz NAAAQJAMYUCRLY-HNNXBMFYSA-N 1 0 382.306 1.938 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638335771 653538565 /nfs/dbraw/zinc/53/85/65/653538565.db2.gz RNTGRHXSNFWGNP-TUKIKUTGSA-N 1 0 380.286 1.888 20 0 GDADRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638359793 653538719 /nfs/dbraw/zinc/53/87/19/653538719.db2.gz RTWOKVJBDVSIKU-CYBMUJFWSA-N 1 0 399.314 1.997 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1([NH3+])CCOCC1 ZINC000638537090 653538984 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CC(C)(C[NH2+]Cc1c(Cl)cccc1N1CCOCC1)NS(C)(=O)=O ZINC000645154617 653601761 /nfs/dbraw/zinc/60/17/61/653601761.db2.gz CAUHGPQDIBXXJD-UHFFFAOYSA-N 1 0 375.922 1.594 20 0 GDADRO C[C@@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1ccc(Br)cn1 ZINC000645356599 653602347 /nfs/dbraw/zinc/60/23/47/653602347.db2.gz ZOQSCUXNKYRAIZ-VXGBXAGGSA-N 1 0 398.305 1.667 20 0 GDADRO CO[C@H](CS(=O)(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000645596362 653604430 /nfs/dbraw/zinc/60/44/30/653604430.db2.gz FAXPOXZPXORQOE-LISAXSMJSA-N 1 0 376.563 1.714 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccccc1Br ZINC000645834273 653607238 /nfs/dbraw/zinc/60/72/38/653607238.db2.gz IUDRAWNZZHXTJJ-LLVKDONJSA-N 1 0 390.303 1.190 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000645895639 653607815 /nfs/dbraw/zinc/60/78/15/653607815.db2.gz GFJHQPSSZHFLIT-HUUCEWRRSA-N 1 0 386.279 1.762 20 0 GDADRO COc1ccc(Br)cc1C1(NCC(=O)N2CCN(C)CC2)CC1 ZINC000645974490 653608229 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CCCN(C(=O)Nc1nc2cc(Br)ccn2n1)[C@H]1CC[N@H+](C)C1 ZINC000646420065 653610185 /nfs/dbraw/zinc/61/01/85/653610185.db2.gz LWWQGQPWZZBWMK-LBPRGKRZSA-N 1 0 381.278 2.440 20 0 GDADRO [NH3+]CCOCC(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000646557592 653610741 /nfs/dbraw/zinc/61/07/41/653610741.db2.gz MNCIORACKGXSPU-UHFFFAOYSA-N 1 0 381.274 1.650 20 0 GDADRO CCC[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)S(N)(=O)=O ZINC000646783527 653613531 /nfs/dbraw/zinc/61/35/31/653613531.db2.gz PRLZIELSYMYKEJ-MRXNPFEDSA-N 1 0 385.555 1.674 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CCO1 ZINC000646846565 653614822 /nfs/dbraw/zinc/61/48/22/653614822.db2.gz SSIUFTJSVXJBBK-OTYXRUKQSA-N 1 0 380.242 1.891 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CCO1 ZINC000646843775 653614829 /nfs/dbraw/zinc/61/48/29/653614829.db2.gz LKKMBXVMAFVRHO-NHYWBVRUSA-N 1 0 379.258 1.823 20 0 GDADRO C[C@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)n1cc(Br)cn1 ZINC000647076931 653620038 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CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000647285093 653625147 /nfs/dbraw/zinc/62/51/47/653625147.db2.gz IIZMQXKJPMQXRL-AWEZNQCLSA-N 1 0 389.543 1.138 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647306935 653625910 /nfs/dbraw/zinc/62/59/10/653625910.db2.gz MYKOOOQVONRNFX-CABCVRRESA-N 1 0 386.539 1.490 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000647314102 653625957 /nfs/dbraw/zinc/62/59/57/653625957.db2.gz QSGUBSJHVIGSQY-UONOGXRCSA-N 1 0 389.543 1.184 20 0 GDADRO CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000647318840 653626013 /nfs/dbraw/zinc/62/60/13/653626013.db2.gz ATHKJPHRFRDNFH-CQSZACIVSA-N 1 0 375.441 1.444 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647323495 653626179 /nfs/dbraw/zinc/62/61/79/653626179.db2.gz RERUFRLHECYHAB-CABCVRRESA-N 1 0 386.539 1.490 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)NC[C@@H]1CCCC[NH2+]1 ZINC000647577973 653628910 /nfs/dbraw/zinc/62/89/10/653628910.db2.gz YQRMIKUOJMUBPK-LBPRGKRZSA-N 1 0 375.288 1.481 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)CN1C(=O)c3ccc(Br)cc3C1=O)C2 ZINC000647622714 653630715 /nfs/dbraw/zinc/63/07/15/653630715.db2.gz SLXXSSNOQRTEPL-UHFFFAOYSA-N 1 0 392.253 1.209 20 0 GDADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647779046 653634322 /nfs/dbraw/zinc/63/43/22/653634322.db2.gz NKMPZOWJTDUJFG-OAHLLOKOSA-N 1 0 386.949 1.520 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc2c(c(Br)c1)OCO2 ZINC000648063929 653638086 /nfs/dbraw/zinc/63/80/86/653638086.db2.gz GYXJZAYBWORSHB-LLVKDONJSA-N 1 0 384.274 1.730 20 0 GDADRO Cc1cc(Br)cn2c(CN3CN(CC[NH+](C)C)C(=O)[C@@H]3C)cnc12 ZINC000648065835 653638330 /nfs/dbraw/zinc/63/83/30/653638330.db2.gz QDKIAYYFPKWIAR-ZDUSSCGKSA-N 1 0 394.317 1.957 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000648122288 653639349 /nfs/dbraw/zinc/63/93/49/653639349.db2.gz QLQXTQVQNGCJOW-VXGBXAGGSA-N 1 0 390.303 1.114 20 0 GDADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NC[C@H](C)[NH3+] ZINC000648129119 653639754 /nfs/dbraw/zinc/63/97/54/653639754.db2.gz KJGNNPWQSXMXED-FZMZJTMJSA-N 1 0 385.306 1.880 20 0 GDADRO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)NC[C@@H](C)[NH3+] ZINC000648129118 653639787 /nfs/dbraw/zinc/63/97/87/653639787.db2.gz KJGNNPWQSXMXED-BXUZGUMPSA-N 1 0 385.306 1.880 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648181288 653640691 /nfs/dbraw/zinc/64/06/91/653640691.db2.gz FMUSOJPMAIKZSR-JSGCOSHPSA-N 1 0 385.917 1.798 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000648189477 653640859 /nfs/dbraw/zinc/64/08/59/653640859.db2.gz YRNPCOBQZJDFLM-HTQZYQBOSA-N 1 0 384.321 1.031 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(F)ccc(Br)c1F ZINC000649070643 653663063 /nfs/dbraw/zinc/66/30/63/653663063.db2.gz RZXGYRRYYYBXJD-SECBINFHSA-N 1 0 390.228 1.919 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)cc(N(C)C)c1 ZINC000649069369 653663137 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COC1(CS(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000651529957 653829624 /nfs/dbraw/zinc/82/96/24/653829624.db2.gz DNPCRYOGRNODPO-HZPDHXFCSA-N 1 0 376.563 1.858 20 0 GDADRO COC1(CS(=O)(=O)N(CC[NH+](C)C)CC2CCCCC2)CCOCC1 ZINC000651566017 653832021 /nfs/dbraw/zinc/83/20/21/653832021.db2.gz KMOCXFBUSKJWKW-UHFFFAOYSA-N 1 0 376.563 1.956 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000651921507 653871231 /nfs/dbraw/zinc/87/12/31/653871231.db2.gz MRCLFTPCMNAOIT-CJNGLKHVSA-N 1 0 387.933 1.701 20 0 GDADRO O[C@]1(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCOC1 ZINC000651944308 653873612 /nfs/dbraw/zinc/87/36/12/653873612.db2.gz RTHBWUZEJGGFPD-QGZVFWFLSA-N 1 0 385.302 1.917 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652191941 653884369 /nfs/dbraw/zinc/88/43/69/653884369.db2.gz KGLKOGJZSNNKEQ-UHFFFAOYSA-N 1 0 388.921 1.355 20 0 GDADRO C[C@@H]1CCCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)[C@H]1CC[NH3+] ZINC000652355345 653888104 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CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000653186910 653907861 /nfs/dbraw/zinc/90/78/61/653907861.db2.gz QHUGXZFXVGBYPG-OBJOEFQTSA-N 1 0 387.527 1.015 20 0 GDADRO [NH3+]CC1(CCNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000653215963 653908269 /nfs/dbraw/zinc/90/82/69/653908269.db2.gz LUKQMVGQTFUPHN-UHFFFAOYSA-N 1 0 379.404 1.229 20 0 GDADRO [NH3+]CC1(CCNC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000653216668 653908484 /nfs/dbraw/zinc/90/84/84/653908484.db2.gz FFRQYYNEIQZWPP-UHFFFAOYSA-N 1 0 394.324 1.907 20 0 GDADRO C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)[C@H]1CC[NH3+] ZINC000653243726 653908831 /nfs/dbraw/zinc/90/88/31/653908831.db2.gz LPZOEQPBPQJOGX-HIFRSBDPSA-N 1 0 387.933 1.984 20 0 GDADRO CN1C[C@H]([NH2+][C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CCC1=O ZINC000653285674 653909801 /nfs/dbraw/zinc/90/98/01/653909801.db2.gz VNHKSEDYCQPRII-YPMHNXCESA-N 1 0 380.242 1.291 20 0 GDADRO CO[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1ccccc1Br ZINC000653901351 653925975 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GDADRO COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000802506197 654949214 /nfs/dbraw/zinc/94/92/14/654949214.db2.gz BMNSWVOACVYNFE-UHFFFAOYSA-N 1 0 395.305 1.967 20 0 GDADRO CS(=O)(=O)CC[NH2+][C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000753639389 654954222 /nfs/dbraw/zinc/95/42/22/654954222.db2.gz BLIYIUGQBGVYOI-INIZCTEOSA-N 1 0 387.933 1.213 20 0 GDADRO CC[S@@](=O)CC[NH2+][C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000753660828 654954581 /nfs/dbraw/zinc/95/45/81/654954581.db2.gz BOABLXFHTTXUKW-CRICUBBOSA-N 1 0 385.961 1.937 20 0 GDADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc(Br)[nH]n3)nc2)C1 ZINC000830712874 654955943 /nfs/dbraw/zinc/95/59/43/654955943.db2.gz SGBOGHCHKHLECU-NSHDSACASA-N 1 0 379.262 1.960 20 0 GDADRO C[C@@H]1C[C@@H]1C[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000754142453 654966300 /nfs/dbraw/zinc/96/63/00/654966300.db2.gz GEDPBDUIEIPKNN-CHWSQXEVSA-N 1 0 376.500 1.037 20 0 GDADRO C[C@@H](C(=O)NCc1c(I)cnn1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000831084277 654971330 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CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000788254457 654988573 /nfs/dbraw/zinc/98/85/73/654988573.db2.gz BEOFFGGFKCYMCY-GJZGRUSLSA-N 1 0 378.535 1.863 20 0 GDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000804234172 654990962 /nfs/dbraw/zinc/99/09/62/654990962.db2.gz AJCRXNDTNMHINB-KDQUWOQTSA-N 1 0 385.599 1.719 20 0 GDADRO C[C@@H](CN1CCOCC1)[N@H+](C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000788379702 654991663 /nfs/dbraw/zinc/99/16/63/654991663.db2.gz ZDOATVHJUATKFM-ZDUSSCGKSA-N 1 0 395.301 1.769 20 0 GDADRO CC(C)Cc1ncnc(NC[C@H](O)C[NH+](C)C)c1I ZINC000804344481 654992765 /nfs/dbraw/zinc/99/27/65/654992765.db2.gz SUSUOYQLFIWSAE-JTQLQIEISA-N 1 0 378.258 1.614 20 0 GDADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000831711007 654993391 /nfs/dbraw/zinc/99/33/91/654993391.db2.gz GOSVABWAMBGAEI-WCQYABFASA-N 1 0 376.258 1.854 20 0 GDADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000831711005 654993556 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Cn1ncc(Br)c1C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000835369369 655099753 /nfs/dbraw/zinc/09/97/53/655099753.db2.gz HFYPSFRRFRDNBS-VIFPVBQESA-N 1 0 381.234 1.381 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCS(=O)(=O)C(C)C)[C@H](C)C1 ZINC000808272149 655102812 /nfs/dbraw/zinc/10/28/12/655102812.db2.gz CRIRSJMDPXHPHI-CVEARBPZSA-N 1 0 377.551 1.246 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1Br ZINC000792989362 655104825 /nfs/dbraw/zinc/10/48/25/655104825.db2.gz XAZUSZFXZRXJRB-NEPJUHHUSA-N 1 0 397.273 1.070 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000835474864 655105429 /nfs/dbraw/zinc/10/54/29/655105429.db2.gz BFRDCWIDIXQBGS-LBPRGKRZSA-N 1 0 399.289 1.054 20 0 GDADRO Cn1ncc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1Br ZINC000760372397 655110262 /nfs/dbraw/zinc/11/02/62/655110262.db2.gz GLXUDWNCEWZSCA-ZDUSSCGKSA-N 1 0 385.306 1.900 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(Cn2nc(N3CCCC3)sc2=S)CC1 ZINC000760416518 655112113 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ZINC000810131330 655152164 /nfs/dbraw/zinc/15/21/64/655152164.db2.gz KFNKTSIKJZUCJU-XKBFBRDOSA-N 1 0 384.889 1.763 20 0 GDADRO C[NH+](C)CCNC(=S)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000795031913 655157948 /nfs/dbraw/zinc/15/79/48/655157948.db2.gz JQJIDWKPPJPISM-CYBMUJFWSA-N 1 0 385.331 1.358 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)c1cnn(-c2ccccc2)c1Br ZINC000837020075 655163826 /nfs/dbraw/zinc/16/38/26/655163826.db2.gz AXTITTBLXNQDNH-UHFFFAOYSA-N 1 0 393.285 1.821 20 0 GDADRO Cn1nnc(Br)c1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000810612298 655167592 /nfs/dbraw/zinc/16/75/92/655167592.db2.gz QGRQFNHBZNEDGP-NWDGAFQWSA-N 1 0 386.294 1.075 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000762556803 655169935 /nfs/dbraw/zinc/16/99/35/655169935.db2.gz WCHQNWGDGLSDKY-PIZKADEWSA-N 1 0 375.288 1.406 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](O)c2ccccc2Br)CC1=O ZINC000837197965 655170883 /nfs/dbraw/zinc/17/08/83/655170883.db2.gz NXHHDHYCJXIJTL-DOMZBBRYSA-N 1 0 398.301 1.009 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000810708601 655171346 /nfs/dbraw/zinc/17/13/46/655171346.db2.gz VLTBAHWNDXGTJJ-RHSMWYFYSA-N 1 0 375.510 1.225 20 0 GDADRO C[C@@H](NC(=O)CONC(=[NH2+])COc1ccc(Cl)cc1Cl)C(=O)N(C)C ZINC000762709582 655174438 /nfs/dbraw/zinc/17/44/38/655174438.db2.gz RIQYAOJNEBAQKS-SECBINFHSA-N 1 0 391.255 1.464 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnc(Cl)c2I)C1 ZINC000762721712 655175528 /nfs/dbraw/zinc/17/55/28/655175528.db2.gz DWOLCNHBUHSHDV-GFCCVEGCSA-N 1 0 395.628 1.136 20 0 GDADRO COCC[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837368174 655179419 /nfs/dbraw/zinc/17/94/19/655179419.db2.gz ZHVLIRPOLFETER-UHFFFAOYSA-N 1 0 385.306 1.823 20 0 GDADRO Cn1nnc(Br)c1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000810989531 655182758 /nfs/dbraw/zinc/18/27/58/655182758.db2.gz BTHPJJRQMWGXQU-CYBMUJFWSA-N 1 0 394.273 1.074 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)o1 ZINC000811448022 655194845 /nfs/dbraw/zinc/19/48/45/655194845.db2.gz RUSQEDUJSCDEPA-MRXNPFEDSA-N 1 0 376.450 1.786 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000796114596 655203452 /nfs/dbraw/zinc/20/34/52/655203452.db2.gz MLUSUTBRYJMTLO-NEPJUHHUSA-N 1 0 387.889 1.769 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000764026972 655206775 /nfs/dbraw/zinc/20/67/75/655206775.db2.gz OVHKNGLFFKABMU-JTQLQIEISA-N 1 0 377.869 1.587 20 0 GDADRO Cc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1Br ZINC000764066604 655207640 /nfs/dbraw/zinc/20/76/40/655207640.db2.gz DUDQQWZQAGADKM-DGCLKSJQSA-N 1 0 384.322 1.579 20 0 GDADRO CN(CCC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)S(C)(=O)=O ZINC000796263040 655209071 /nfs/dbraw/zinc/20/90/71/655209071.db2.gz FGBDWQUBEHRULA-UHFFFAOYSA-N 1 0 377.551 1.941 20 0 GDADRO CN(CC(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)C(=O)c1ccc(Br)o1 ZINC000812326238 655211499 /nfs/dbraw/zinc/21/14/99/655211499.db2.gz VLUPYUTWQWPMBU-NWDGAFQWSA-N 1 0 384.274 1.524 20 0 GDADRO O=C1NCCN(C[C@@H](O)C[NH+]2CCCC2)[C@@H]1c1ccc(Br)cc1 ZINC000796574672 655214679 /nfs/dbraw/zinc/21/46/79/655214679.db2.gz HZMTZVIKIHQIKF-JKSUJKDBSA-N 1 0 382.302 1.379 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000796651896 655216726 /nfs/dbraw/zinc/21/67/26/655216726.db2.gz CKUHROBGMTUOMR-RRFJBIMHSA-N 1 0 377.551 1.939 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccc(Br)cc1OCCCO ZINC000812885466 655222063 /nfs/dbraw/zinc/22/20/63/655222063.db2.gz QMFVAYDMHYRQIB-MFKMUULPSA-N 1 0 385.258 1.666 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000812958140 655222823 /nfs/dbraw/zinc/22/28/23/655222823.db2.gz FJVIGNOZHXDSPF-UHFFFAOYSA-N 1 0 383.290 1.891 20 0 GDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000812972875 655223861 /nfs/dbraw/zinc/22/38/61/655223861.db2.gz QDWDQCYCROVSIO-UHFFFAOYSA-N 1 0 380.392 1.327 20 0 GDADRO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CCN1C(=O)OC(C)(C)C ZINC000813336419 655235079 /nfs/dbraw/zinc/23/50/79/655235079.db2.gz ORYJSCWCKKRLNX-QLFBSQMISA-N 1 0 375.535 1.646 20 0 GDADRO Cc1nn(C)c(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1Br ZINC000839174893 655240562 /nfs/dbraw/zinc/24/05/62/655240562.db2.gz NJMHOHYEQYCZSB-CYBMUJFWSA-N 1 0 388.306 1.996 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H](CC[N@@H+]2CCCN(S(C)(=O)=O)CC2)C1 ZINC000839460022 655247180 /nfs/dbraw/zinc/24/71/80/655247180.db2.gz BKBBGFUNOUHNBY-OAHLLOKOSA-N 1 0 375.535 1.601 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000839592241 655255242 /nfs/dbraw/zinc/25/52/42/655255242.db2.gz PKBMXBXJCNJPQV-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO C[N@H+](C[C@H](O)COC[C@H]1CCCO1)C[C@@H](O)c1cccc(Br)c1 ZINC000839635923 655258961 /nfs/dbraw/zinc/25/89/61/655258961.db2.gz LZIFJHLIZXDCBN-GVDBMIGSSA-N 1 0 388.302 1.971 20 0 GDADRO C[C@@H]1CN(Cn2c(=O)oc3ccc(Br)cc32)C[C@H](C)[N@H+]1CCO ZINC000840133636 655277146 /nfs/dbraw/zinc/27/71/46/655277146.db2.gz FWVFHPGYFQZTDJ-TXEJJXNPSA-N 1 0 384.274 1.701 20 0 GDADRO C[C@@H]1CN(CN2C(=O)c3ccc(Br)cc3C2=O)C[C@H](C)[N@H+]1CCO ZINC000840133119 655277181 /nfs/dbraw/zinc/27/71/81/655277181.db2.gz BDYKYHKZQKRHKD-TXEJJXNPSA-N 1 0 396.285 1.390 20 0 GDADRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000766845102 655277976 /nfs/dbraw/zinc/27/79/76/655277976.db2.gz BVVJPRLQLYOKBL-UHFFFAOYSA-N 1 0 394.946 1.706 20 0 GDADRO Cn1ncc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)c1Cl ZINC000815125825 655288610 /nfs/dbraw/zinc/28/86/10/655288610.db2.gz OGDZRZCZPDPRCE-UHFFFAOYSA-N 1 0 376.910 1.136 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799359102 655289223 /nfs/dbraw/zinc/28/92/23/655289223.db2.gz TZKVIJFOFKFSRL-HNNXBMFYSA-N 1 0 377.551 1.943 20 0 GDADRO CCCOC(=O)c1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000767315135 655289483 /nfs/dbraw/zinc/28/94/83/655289483.db2.gz LLZHBGXPUWWMPT-HZPDHXFCSA-N 1 0 386.539 1.920 20 0 GDADRO C[NH+]1CCN(C[C@@H](O)COc2cc(F)cc(I)c2)CC1 ZINC000840759797 655296222 /nfs/dbraw/zinc/29/62/22/655296222.db2.gz NQZDRIPYUMATEI-CYBMUJFWSA-N 1 0 394.228 1.417 20 0 GDADRO COC(=O)c1ccc(N2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)s1 ZINC000840839030 655298903 /nfs/dbraw/zinc/29/89/03/655298903.db2.gz WJFJCEZOLGMKLO-UHFFFAOYSA-N 1 0 382.555 1.625 20 0 GDADRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000840856526 655299618 /nfs/dbraw/zinc/29/96/18/655299618.db2.gz QVIMRWHBBILOJJ-YRGRVCCFSA-N 1 0 392.568 1.957 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2cccc(F)c2)cc1Cl ZINC000840883170 655300041 /nfs/dbraw/zinc/30/00/41/655300041.db2.gz DVJGPWSBWKPWIB-ZDUSSCGKSA-N 1 0 388.848 1.656 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(Br)cnc2s1)N1CC[NH+](C)CC1 ZINC000815598018 655300194 /nfs/dbraw/zinc/30/01/94/655300194.db2.gz KTRGYPYOQLYEOD-SNVBAGLBSA-N 1 0 386.319 1.524 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cnc(Cl)c(Br)c3)[C@@H]2C1 ZINC000815704505 655302529 /nfs/dbraw/zinc/30/25/29/655302529.db2.gz IWKKEBFFQPRMCZ-LDYMZIIASA-N 1 0 387.665 1.599 20 0 GDADRO CCOC1CC(O)(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000767736159 655303048 /nfs/dbraw/zinc/30/30/48/655303048.db2.gz CCAMOERSDCIOBL-FUJMWEONSA-N 1 0 391.921 1.224 20 0 GDADRO NC(=O)c1cn(CCCC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)nn1 ZINC000840977327 655306536 /nfs/dbraw/zinc/30/65/36/655306536.db2.gz JUINWALPXJHCTR-UHFFFAOYSA-N 1 0 382.255 1.902 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000841095920 655308596 /nfs/dbraw/zinc/30/85/96/655308596.db2.gz MDTKORWUEDDQEY-SECBINFHSA-N 1 0 381.376 1.814 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000841132082 655309510 /nfs/dbraw/zinc/30/95/10/655309510.db2.gz RTYIAZITPOQVLR-YPMHNXCESA-N 1 0 389.905 1.883 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841161642 655311418 /nfs/dbraw/zinc/31/14/18/655311418.db2.gz SDCVOANFIHYARH-JTQLQIEISA-N 1 0 377.242 1.756 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)CC[C@H]1[NH3+] ZINC000841180429 655312368 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GDADRO COc1ccc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)nc1Cl ZINC000768245694 655317357 /nfs/dbraw/zinc/31/73/57/655317357.db2.gz KDWWGKYBIQXDAO-LBPRGKRZSA-N 1 0 389.905 1.325 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841256078 655317760 /nfs/dbraw/zinc/31/77/60/655317760.db2.gz RRMRPAHIUPDYLR-PHDIDXHHSA-N 1 0 383.168 1.653 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841292678 655318695 /nfs/dbraw/zinc/31/86/95/655318695.db2.gz CPTQDOBXNITAID-UHFFFAOYSA-N 1 0 398.257 1.417 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000841305698 655319022 /nfs/dbraw/zinc/31/90/22/655319022.db2.gz XCPKIQQODVAMDX-UHFFFAOYSA-N 1 0 377.388 1.549 20 0 GDADRO C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000841335863 655319142 /nfs/dbraw/zinc/31/91/42/655319142.db2.gz WLMSSJHKVIABKW-SKDRFNHKSA-N 1 0 382.408 1.698 20 0 GDADRO Cn1ncc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1I ZINC000816500796 655327734 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GDADRO C[N@H+](CCCCNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C1CC1 ZINC000841528597 655338248 /nfs/dbraw/zinc/33/82/48/655338248.db2.gz YLGRQMNQYKBVMJ-UHFFFAOYSA-N 1 0 378.491 1.382 20 0 GDADRO CCS(=O)(=O)NCCC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817286960 655349306 /nfs/dbraw/zinc/34/93/06/655349306.db2.gz CBGVPHCIBNZDEQ-UHFFFAOYSA-N 1 0 375.535 1.791 20 0 GDADRO [NH3+]CCc1ccc(CNC(=O)NCCNS(=O)(=O)c2cccs2)cc1 ZINC000841862907 655354308 /nfs/dbraw/zinc/35/43/08/655354308.db2.gz IICNVWLVIYBJPM-UHFFFAOYSA-N 1 0 382.511 1.027 20 0 GDADRO C[C@](O)(CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000841988689 655355043 /nfs/dbraw/zinc/35/50/43/655355043.db2.gz JQGRAHCYSZAQQU-RISCZKNCSA-N 1 0 380.436 1.091 20 0 GDADRO COC(=O)c1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCO2)c(Br)c1 ZINC000842012530 655355121 /nfs/dbraw/zinc/35/51/21/655355121.db2.gz XRXFIVJROMKDQI-LBPRGKRZSA-N 1 0 386.246 1.023 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)CC[C@H]1[NH3+] ZINC000842020546 655355354 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GDADRO C[C@@H]1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000818009092 655364478 /nfs/dbraw/zinc/36/44/78/655364478.db2.gz NFKWRNIQUJZFHE-PWSUYJOCSA-N 1 0 389.315 1.910 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842481731 655367331 /nfs/dbraw/zinc/36/73/31/655367331.db2.gz OSZHZYNQVJPEGT-NSHDSACASA-N 1 0 388.433 1.632 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)/C=C/c2cccc(Br)c2)CCCO1 ZINC000842484500 655367964 /nfs/dbraw/zinc/36/79/64/655367964.db2.gz GNJYXOOYYOOODN-LHRNQBEKSA-N 1 0 375.288 1.799 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000818166920 655369161 /nfs/dbraw/zinc/36/91/61/655369161.db2.gz LSTFRCIFDPETQS-RHSMWYFYSA-N 1 0 376.519 1.163 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)NCC[NH2+]C)c1 ZINC000842703245 655372195 /nfs/dbraw/zinc/37/21/95/655372195.db2.gz PLAUIDHBXZUWSO-UHFFFAOYSA-N 1 0 379.276 1.432 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c(Br)cc1F ZINC000842704299 655372216 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COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000842728582 655374158 /nfs/dbraw/zinc/37/41/58/655374158.db2.gz GWIBGSKAAMZCNO-UHFFFAOYSA-N 1 0 381.267 1.969 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)s1 ZINC000842737956 655374512 /nfs/dbraw/zinc/37/45/12/655374512.db2.gz SSUWKGRCSNVDOF-UHFFFAOYSA-N 1 0 375.516 1.537 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CCO1 ZINC000842743880 655374751 /nfs/dbraw/zinc/37/47/51/655374751.db2.gz LZRHTAINPABMFM-CBAPKCEASA-N 1 0 384.683 1.234 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1)C(F)(F)F ZINC000842746454 655375007 /nfs/dbraw/zinc/37/50/07/655375007.db2.gz FDYNPFPCJCLASQ-GFCCVEGCSA-N 1 0 377.388 1.702 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000842765785 655375743 /nfs/dbraw/zinc/37/57/43/655375743.db2.gz UYXUGCSENAMQBG-BDAKNGLRSA-N 1 0 381.267 1.968 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)NC[C@H](C)C[NH3+])c1 ZINC000842787361 655376842 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1.143 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(CCNC(=O)OC)s2)CC[C@H]1[NH3+] ZINC000842799659 655378031 /nfs/dbraw/zinc/37/80/31/655378031.db2.gz ZBDMSIPZEHAMHI-DGCLKSJQSA-N 1 0 375.516 1.395 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)s1 ZINC000842805574 655378377 /nfs/dbraw/zinc/37/83/77/655378377.db2.gz ZBXOONALPKTNRL-ZDUSSCGKSA-N 1 0 375.516 1.442 20 0 GDADRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842804258 655378404 /nfs/dbraw/zinc/37/84/04/655378404.db2.gz MOCMENXZZWPNQW-NHYWBVRUSA-N 1 0 396.481 1.869 20 0 GDADRO C[C@]1(CNS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CCC[NH2+]C1 ZINC000842827772 655379991 /nfs/dbraw/zinc/37/99/91/655379991.db2.gz OISHJJSQZYZRDC-LBPRGKRZSA-N 1 0 386.948 1.473 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1Br ZINC000842833214 655380183 /nfs/dbraw/zinc/38/01/83/655380183.db2.gz IYPHREABHCNQEZ-TVQRCGJNSA-N 1 0 391.287 1.512 20 0 GDADRO O=S(=O)(c1ccc2nc(Cl)sc2c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000842863803 655381505 /nfs/dbraw/zinc/38/15/05/655381505.db2.gz CVPJXQVUMNWWIN-NSHDSACASA-N 1 0 386.930 1.618 20 0 GDADRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842872799 655381932 /nfs/dbraw/zinc/38/19/32/655381932.db2.gz IJPALRAEFHPPPF-UHFFFAOYSA-N 1 0 388.433 1.776 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1Cl ZINC000842877286 655382222 /nfs/dbraw/zinc/38/22/22/655382222.db2.gz XNARWCOIQTVDKX-GXFFZTMASA-N 1 0 378.903 1.116 20 0 GDADRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000842882205 655382516 /nfs/dbraw/zinc/38/25/16/655382516.db2.gz DZQCWLIIMVVXRK-ZETCQYMHSA-N 1 0 383.239 1.390 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000818972263 655382557 /nfs/dbraw/zinc/38/25/57/655382557.db2.gz IBQACQXORRNEAJ-SWLSCSKDSA-N 1 0 380.432 1.597 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000818976389 655382568 /nfs/dbraw/zinc/38/25/68/655382568.db2.gz CGEMXJAHKRKFTM-JSGCOSHPSA-N 1 0 382.404 1.632 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)C2CC([NH3+])C2)c(Br)cc1F ZINC000842886581 655382657 /nfs/dbraw/zinc/38/26/57/655382657.db2.gz KMZBGCVOICPAQN-UHFFFAOYSA-N 1 0 395.250 1.485 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000818998024 655382924 /nfs/dbraw/zinc/38/29/24/655382924.db2.gz OWHYJQCGFBVNAY-AWEZNQCLSA-N 1 0 377.304 1.498 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)N1CCSCC1 ZINC000819032305 655383433 /nfs/dbraw/zinc/38/34/33/655383433.db2.gz AWUNWVGCZKQLFH-AWEZNQCLSA-N 1 0 398.472 1.707 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]C[C@@H](O)c2ccc(F)cn2)CC1)C(F)(F)F ZINC000819054290 655384112 /nfs/dbraw/zinc/38/41/12/655384112.db2.gz KHXGBKMGJFGTCY-CYBMUJFWSA-N 1 0 385.383 1.405 20 0 GDADRO CC(C)COC[C@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000819054838 655384280 /nfs/dbraw/zinc/38/42/80/655384280.db2.gz MTWZAXSXHQRXTC-CYBMUJFWSA-N 1 0 376.441 1.171 20 0 GDADRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000819060292 655384438 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/nfs/dbraw/zinc/38/93/12/655389312.db2.gz SLZPDSTUUXAYBM-NILFDRSVSA-N 1 0 391.331 1.790 20 0 GDADRO C[S@@](=O)Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000819311934 655389734 /nfs/dbraw/zinc/38/97/34/655389734.db2.gz QOCKIGJMHPLTKM-HOYKHHGWSA-N 1 0 381.519 1.792 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000843271110 655390326 /nfs/dbraw/zinc/39/03/26/655390326.db2.gz BIPTVZLNDPJWQE-CYBMUJFWSA-N 1 0 385.555 1.273 20 0 GDADRO O=C(/C=C/c1ccc(Br)o1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843318131 655392532 /nfs/dbraw/zinc/39/25/32/655392532.db2.gz YPJGHUCIADEMOB-BPJJOFIESA-N 1 0 396.285 1.726 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CO[C@H]2CCC[NH2+]C2)s1 ZINC000843372687 655393722 /nfs/dbraw/zinc/39/37/22/655393722.db2.gz BDKKCRKSINICLS-ZDUSSCGKSA-N 1 0 389.543 1.163 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)NCCCNC(=O)c1cccc(Br)c1 ZINC000843414598 655394564 /nfs/dbraw/zinc/39/45/64/655394564.db2.gz JQWIJDOZCHZRBQ-HNNXBMFYSA-N 1 0 398.301 1.454 20 0 GDADRO C[C@H]1OC(=O)N[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000819736977 655395049 /nfs/dbraw/zinc/39/50/49/655395049.db2.gz RMIWHYSOEQDQBD-YGRLFVJLSA-N 1 0 399.289 1.882 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000843453881 655395232 /nfs/dbraw/zinc/39/52/32/655395232.db2.gz KATFQGBSPCYSIT-CYBMUJFWSA-N 1 0 389.905 1.736 20 0 GDADRO C[C@H](CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)NS(=O)(=O)c1cccnc1Cl ZINC000843451332 655395273 /nfs/dbraw/zinc/39/52/73/655395273.db2.gz NXFCDRRFOHRNCF-DGCLKSJQSA-N 1 0 386.905 1.145 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843458098 655395392 /nfs/dbraw/zinc/39/53/92/655395392.db2.gz NQEVMZMUKMCFBY-NSHDSACASA-N 1 0 383.499 1.175 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843464390 655395657 /nfs/dbraw/zinc/39/56/57/655395657.db2.gz PMKXZWYGXONCQA-PWSUYJOCSA-N 1 0 380.495 1.026 20 0 GDADRO CC[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC[C@H]1[NH3+] ZINC000843471087 655395791 /nfs/dbraw/zinc/39/57/91/655395791.db2.gz MMHKHCPDGWOUAM-BXUZGUMPSA-N 1 0 389.905 1.721 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@@H](CC[NH3+])C1)NS(=O)(=O)c1cccnc1Cl ZINC000843473372 655395987 /nfs/dbraw/zinc/39/59/87/655395987.db2.gz JTBVGNKHAIQPIW-OLZOCXBDSA-N 1 0 388.921 1.379 20 0 GDADRO C[C@H](CC(=O)NC(C)(C)CCC[NH3+])NS(=O)(=O)c1cccnc1Cl ZINC000843481752 655396442 /nfs/dbraw/zinc/39/64/42/655396442.db2.gz PIMMWQBOMLVFBC-LLVKDONJSA-N 1 0 376.910 1.426 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000843513312 655397418 /nfs/dbraw/zinc/39/74/18/655397418.db2.gz AXWWMAPQSSDUNV-HNNXBMFYSA-N 1 0 385.917 1.995 20 0 GDADRO Nc1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc(Br)n1 ZINC000820110818 655403213 /nfs/dbraw/zinc/40/32/13/655403213.db2.gz DTLIAZBZSQAHJO-LLVKDONJSA-N 1 0 383.290 1.657 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)ncc1Cl ZINC000844033174 655405404 /nfs/dbraw/zinc/40/54/04/655405404.db2.gz FFCVIOTVOMGDDL-SECBINFHSA-N 1 0 389.681 1.690 20 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20 0 GDADRO C[C@@H]1CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[S@@](=O)C1 ZINC000846017295 655444589 /nfs/dbraw/zinc/44/45/89/655444589.db2.gz LZGXXSAUKZNHLP-PJGQNWHFSA-N 1 0 375.535 1.058 20 0 GDADRO CC[N@H+](CCNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F)CCC(F)(F)F ZINC000822419904 655444878 /nfs/dbraw/zinc/44/48/78/655444878.db2.gz OPDRQXRXJZFVDF-UWVGGRQHSA-N 1 0 377.329 1.692 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000846208479 655449919 /nfs/dbraw/zinc/44/99/19/655449919.db2.gz ILVUFHXHQJZRLJ-QWHCGFSZSA-N 1 0 379.332 1.990 20 0 GDADRO CCn1ncc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1Br ZINC000822919755 655453639 /nfs/dbraw/zinc/45/36/39/655453639.db2.gz ZIDKATBVODCYJB-ZDUSSCGKSA-N 1 0 398.305 1.090 20 0 GDADRO Ic1cc(-c2noc(C[C@H]3COCC[NH2+]3)n2)cs1 ZINC000823015487 655455253 /nfs/dbraw/zinc/45/52/53/655455253.db2.gz GODXGPYDHHFPPK-QMMMGPOBSA-N 1 0 377.207 1.934 20 0 GDADRO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846671048 655458664 /nfs/dbraw/zinc/45/86/64/655458664.db2.gz NEUIKJXHBQRXKX-CHWSQXEVSA-N 1 0 383.436 1.195 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)C1 ZINC000846720398 655459542 /nfs/dbraw/zinc/45/95/42/655459542.db2.gz BTIAUZBFMVZHLM-XOKHGSTOSA-N 1 0 377.888 1.280 20 0 GDADRO O=C1c2ccc(Br)cc2C(=O)N1Cc1nc(N2CC[NH2+]CC2)no1 ZINC000823309177 655460114 /nfs/dbraw/zinc/46/01/14/655460114.db2.gz BORMHSOLXCYVTN-UHFFFAOYSA-N 1 0 392.213 1.038 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)ccc1Cl ZINC000846743853 655460182 /nfs/dbraw/zinc/46/01/82/655460182.db2.gz TWEVUUJWFYAHFI-CMPLNLGQSA-N 1 0 375.878 1.474 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000846744350 655460258 /nfs/dbraw/zinc/46/02/58/655460258.db2.gz YVFPXBQYEOUYMZ-RYUDHWBXSA-N 1 0 389.905 1.217 20 0 GDADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000823442109 655463231 /nfs/dbraw/zinc/46/32/31/655463231.db2.gz DENKVEYENOBBAT-LSDHHAIUSA-N 1 0 377.551 1.784 20 0 GDADRO C[N@H+](CCCCNC(=O)c1cnc(I)c([O-])c1)C1CC1 ZINC000823485855 655463928 /nfs/dbraw/zinc/46/39/28/655463928.db2.gz WUTLTCFNDKSYSW-UHFFFAOYSA-N 1 0 389.237 1.996 20 0 GDADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847107599 655465566 /nfs/dbraw/zinc/46/55/66/655465566.db2.gz CIXLMRHNBCSLJI-WDEREUQCSA-N 1 0 398.257 1.503 20 0 GDADRO Cn1ncc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1I ZINC000847254260 655467259 /nfs/dbraw/zinc/46/72/59/655467259.db2.gz FDKAMXADGIMNDG-NWDGAFQWSA-N 1 0 388.253 1.771 20 0 GDADRO O=C(c1nc(F)ccc1Br)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000847303334 655467641 /nfs/dbraw/zinc/46/76/41/655467641.db2.gz WMZWNPZLRUSEDT-UHFFFAOYSA-N 1 0 385.281 1.837 20 0 GDADRO Brc1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823826699 655468705 /nfs/dbraw/zinc/46/87/05/655468705.db2.gz NJNHSLJNKZNXOC-LBPRGKRZSA-N 1 0 379.262 1.540 20 0 GDADRO CC[S@](=O)CC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000823871697 655468920 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388.921 1.345 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(F)cc(Br)c1F ZINC000825223293 655486143 /nfs/dbraw/zinc/48/61/43/655486143.db2.gz CUKZGRDUYSTLBF-UHFFFAOYSA-N 1 0 392.244 1.819 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000848293164 655486811 /nfs/dbraw/zinc/48/68/11/655486811.db2.gz BGUCEMRTABPLOF-UPJWGTAASA-N 1 0 388.921 1.248 20 0 GDADRO COC(=O)c1oc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1C ZINC000825283752 655487179 /nfs/dbraw/zinc/48/71/79/655487179.db2.gz RKVKABCCAUSYDB-UHFFFAOYSA-N 1 0 380.413 1.729 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)C(F)(F)F ZINC000848595305 655497167 /nfs/dbraw/zinc/49/71/67/655497167.db2.gz LBMHOQBGCCNCKR-ONGXEEELSA-N 1 0 383.754 1.333 20 0 GDADRO O=C1O[C@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CN1C1CC1 ZINC000848678322 655498702 /nfs/dbraw/zinc/49/87/02/655498702.db2.gz KZSDMVXQHGKEDY-DZGCQCFKSA-N 1 0 385.258 1.762 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1SCCS1)Cc1ccccc1 ZINC000826656413 655499822 /nfs/dbraw/zinc/49/98/22/655499822.db2.gz OIXPKAKESFCFQY-HNNXBMFYSA-N 1 0 381.567 1.588 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1SCCS1)Cc1ccccc1 ZINC000826656414 655499836 /nfs/dbraw/zinc/49/98/36/655499836.db2.gz OIXPKAKESFCFQY-OAHLLOKOSA-N 1 0 381.567 1.588 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000826797352 655501223 /nfs/dbraw/zinc/50/12/23/655501223.db2.gz RMFPQPFECDENTH-KOLCDFICSA-N 1 0 384.112 1.719 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CC[C@@H]21 ZINC000827302677 655508865 /nfs/dbraw/zinc/50/88/65/655508865.db2.gz WWIDWPRKGUBCCZ-ZANVPECISA-N 1 0 375.853 1.293 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC[C@@H]21 ZINC000827308477 655508995 /nfs/dbraw/zinc/50/89/95/655508995.db2.gz BQGHKRZKQOHTQB-RISCZKNCSA-N 1 0 391.273 1.591 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CC[C@H]21 ZINC000827365634 655509760 /nfs/dbraw/zinc/50/97/60/655509760.db2.gz JWUIMFBKKYSGLX-UKRRQHHQSA-N 1 0 385.917 1.561 20 0 GDADRO C[C@H](CNC(=O)c1ccc(C(F)(F)Br)nc1)N1CC[NH+](C)CC1 ZINC000827579567 655513441 /nfs/dbraw/zinc/51/34/41/655513441.db2.gz GMAVMEKDPWGITE-LLVKDONJSA-N 1 0 391.260 1.892 20 0 GDADRO COC(=O)N1CCC(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000827656025 655514710 /nfs/dbraw/zinc/51/47/10/655514710.db2.gz BPPOORLZTVQAPT-INIZCTEOSA-N 1 0 384.274 1.970 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1CSCC(=O)N1)c1cccc(C(F)(F)F)c1 ZINC000827824967 655516838 /nfs/dbraw/zinc/51/68/38/655516838.db2.gz LKQFAPHVFSSVSS-STQMWFEESA-N 1 0 375.416 1.656 20 0 GDADRO CCCCNC(=[NH2+])NCCNS(=O)(=O)c1cc(C)ccc1Br ZINC000849052571 655517206 /nfs/dbraw/zinc/51/72/06/655517206.db2.gz MQCNZDZVQBGDGP-UHFFFAOYSA-N 1 0 391.335 1.950 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000849114704 655517449 /nfs/dbraw/zinc/51/74/49/655517449.db2.gz RIHGDFCVNXUFKJ-NSHDSACASA-N 1 0 382.408 1.527 20 0 GDADRO C[NH+](C)[C@@H]1CCN(CCn2cc(COc3ccc(Br)nc3)nn2)C1 ZINC000849140251 655517641 /nfs/dbraw/zinc/51/76/41/655517641.db2.gz MUNOWQYELWFZRU-CQSZACIVSA-N 1 0 395.305 1.651 20 0 GDADRO [NH3+][C@@H](CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000828087247 655519062 /nfs/dbraw/zinc/51/90/62/655519062.db2.gz BHTQEVMZCMBHNX-LBPRGKRZSA-N 1 0 391.946 1.752 20 0 GDADRO C[NH+](C)Cc1cc(CNC(=O)C(=O)NCCC2SCCS2)ccc1F ZINC000828144496 655519619 /nfs/dbraw/zinc/51/96/19/655519619.db2.gz WXWXKJDWFWPRFV-UHFFFAOYSA-N 1 0 385.530 1.816 20 0 GDADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000849354338 655522503 /nfs/dbraw/zinc/52/25/03/655522503.db2.gz QRASJSRQYIOZLT-YWPYICTPSA-N 1 0 394.269 1.905 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000849463051 655540011 /nfs/dbraw/zinc/54/00/11/655540011.db2.gz UCJFVLRMDPXICT-UHFFFAOYSA-N 1 0 375.535 1.647 20 0 GDADRO Cc1nc(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c(Br)n1C ZINC000849468275 655540910 /nfs/dbraw/zinc/54/09/10/655540910.db2.gz MMKUBITXFPKDNX-NSHDSACASA-N 1 0 393.351 1.890 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2n[nH]cc2Br)cn1 ZINC000849522963 655542308 /nfs/dbraw/zinc/54/23/08/655542308.db2.gz QVELQRPBCGSTKK-NWDGAFQWSA-N 1 0 381.278 1.257 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)cn1 ZINC000849569856 655542344 /nfs/dbraw/zinc/54/23/44/655542344.db2.gz WGORFTPCDHZQFV-BIVLZKPYSA-N 1 0 380.583 1.951 20 0 GDADRO Cc1nccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c1Br ZINC000849612708 655542705 /nfs/dbraw/zinc/54/27/05/655542705.db2.gz NSSDKLGGYLTTGY-ZIAGYGMSSA-N 1 0 392.301 1.982 20 0 GDADRO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000850341385 655552625 /nfs/dbraw/zinc/55/26/25/655552625.db2.gz JCDVWTDYTKVMKB-HNNXBMFYSA-N 1 0 398.301 1.901 20 0 GDADRO CSc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000850374929 655553450 /nfs/dbraw/zinc/55/34/50/655553450.db2.gz AUJZTPYRNJDGTH-VXGBXAGGSA-N 1 0 383.901 1.980 20 0 GDADRO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850490187 655556447 /nfs/dbraw/zinc/55/64/47/655556447.db2.gz WMRKDMGQZRNFTC-MLGOLLRUSA-N 1 0 390.527 1.224 20 0 GDADRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850572237 655558988 /nfs/dbraw/zinc/55/89/88/655558988.db2.gz YPACPEZBIUCXNK-GLQYFDAESA-N 1 0 376.500 1.240 20 0 GDADRO COc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cnc1Cl ZINC000850587554 655559262 /nfs/dbraw/zinc/55/92/62/655559262.db2.gz CTRCFQBLMIOHJW-LLVKDONJSA-N 1 0 375.878 1.120 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC3CC2(C[NH3+])C3)s1 ZINC000850591496 655559467 /nfs/dbraw/zinc/55/94/67/655559467.db2.gz XBCHTVXINQVLLT-UHFFFAOYSA-N 1 0 395.300 1.409 20 0 GDADRO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000850592191 655559561 /nfs/dbraw/zinc/55/95/61/655559561.db2.gz INIVDDXZVVCZQM-UHFFFAOYSA-N 1 0 384.401 1.010 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000850593445 655559895 /nfs/dbraw/zinc/55/98/95/655559895.db2.gz RBIISJIMELZEKQ-ZETCQYMHSA-N 1 0 383.239 1.261 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C[C@@H]1[NH3+] ZINC000850721743 655566491 /nfs/dbraw/zinc/56/64/91/655566491.db2.gz FEBRASQFBJINTK-RNCFNFMXSA-N 1 0 375.288 1.662 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NCCCCCC[NH3+])n1 ZINC000850827039 655569122 /nfs/dbraw/zinc/56/91/22/655569122.db2.gz SIJCIFHOFIOPKD-UHFFFAOYSA-N 1 0 384.893 1.771 20 0 GDADRO COC(=O)c1ccc(CNC(=O)NCC23CC(C2)C[NH2+]3)c(Br)c1 ZINC000851677689 655590348 /nfs/dbraw/zinc/59/03/48/655590348.db2.gz TZFCOMAQTAETRJ-UHFFFAOYSA-N 1 0 382.258 1.787 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000851690940 655590639 /nfs/dbraw/zinc/59/06/39/655590639.db2.gz OHBJBJFNBKMJHX-FZMZJTMJSA-N 1 0 384.274 1.073 20 0 GDADRO C[C@]12CCN(C(=O)C[C@H]3COCC[NH2+]3)C[C@H]1C2(Br)Br ZINC000852902026 655626250 /nfs/dbraw/zinc/62/62/50/655626250.db2.gz ZZFXXQSPBVWTQF-UMNHJUIQSA-N 1 0 396.123 1.719 20 0 GDADRO COc1cc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cnc1Cl ZINC000851885282 655602392 /nfs/dbraw/zinc/60/23/92/655602392.db2.gz YWIXDBQFWGOXFD-GFCCVEGCSA-N 1 0 377.894 1.475 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCn2cnc(Br)n2)ccc1OCCO ZINC000851897620 655603418 /nfs/dbraw/zinc/60/34/18/655603418.db2.gz QPJHOVORXIOEPN-NSHDSACASA-N 1 0 385.262 1.771 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)nc2)cc1 ZINC000851898246 655603554 /nfs/dbraw/zinc/60/35/54/655603554.db2.gz UJJLBNSDWLLHCO-NSHDSACASA-N 1 0 382.873 1.932 20 0 GDADRO COC(=O)COc1ccc([C@H](C)[NH2+]CCn2cnc(Br)n2)cc1 ZINC000851940033 655604108 /nfs/dbraw/zinc/60/41/08/655604108.db2.gz MEVHCHSKHAMSPC-NSHDSACASA-N 1 0 383.246 1.943 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000851955254 655604476 /nfs/dbraw/zinc/60/44/76/655604476.db2.gz CNVGDAIDGSUBDF-WDEREUQCSA-N 1 0 376.312 1.571 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000852007605 655605668 /nfs/dbraw/zinc/60/56/68/655605668.db2.gz PBQQIEHCRUPLIX-GFCCVEGCSA-N 1 0 390.339 1.961 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000852017754 655605877 /nfs/dbraw/zinc/60/58/77/655605877.db2.gz FHQQMADXSKZKIF-CQSZACIVSA-N 1 0 384.435 1.071 20 0 GDADRO O=C(C[NH2+]C1(CCO)CCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000852118621 655608112 /nfs/dbraw/zinc/60/81/12/655608112.db2.gz LFDDOLXQCLEDIP-UHFFFAOYSA-N 1 0 376.425 1.906 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000852128887 655608270 /nfs/dbraw/zinc/60/82/70/655608270.db2.gz CNKVJBQOHSZGGO-CYBMUJFWSA-N 1 0 382.477 1.034 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@@](C(=O)NC)(C(F)(F)F)C1 ZINC000852208276 655610262 /nfs/dbraw/zinc/61/02/62/655610262.db2.gz SIVCGLADJORWAA-ZYHUDNBSSA-N 1 0 376.312 1.571 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C1 ZINC000852224097 655610648 /nfs/dbraw/zinc/61/06/48/655610648.db2.gz ZXWBYHYQKQGVNH-CYDGBPFRSA-N 1 0 385.452 1.476 20 0 GDADRO COCC[NH+](CCOC)C1CCN(C(=O)NCCC2SCCS2)CC1 ZINC000852675474 655620253 /nfs/dbraw/zinc/62/02/53/655620253.db2.gz SIGQGTNCKCRFBA-UHFFFAOYSA-N 1 0 391.603 1.951 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2[NH2+]CC23CCCC3)s1 ZINC000852779053 655622434 /nfs/dbraw/zinc/62/24/34/655622434.db2.gz AMRNFELXQFFRLI-HNNXBMFYSA-N 1 0 385.555 1.927 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000852793580 655622648 /nfs/dbraw/zinc/62/26/48/655622648.db2.gz COFPGOTWPMCFKN-UHFFFAOYSA-N 1 0 379.262 1.548 20 0 GDADRO CC(C)([NH3+])CNC(=O)c1cnn(-c2ccccc2)c1I ZINC000852797778 655622903 /nfs/dbraw/zinc/62/29/03/655622903.db2.gz AUGJWDCSIBKFNW-UHFFFAOYSA-N 1 0 384.221 1.944 20 0 GDADRO CN(CCC[NH3+])C(=O)c1cnn(-c2ccccc2)c1I ZINC000852797925 655622913 /nfs/dbraw/zinc/62/29/13/655622913.db2.gz CYYCAVWTVMXCEM-UHFFFAOYSA-N 1 0 384.221 1.898 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)=NO1 ZINC000852856203 655624107 /nfs/dbraw/zinc/62/41/07/655624107.db2.gz WAYZINBIADLZPD-SNVBAGLBSA-N 1 0 387.303 1.258 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)Nc2cc(Br)ccc2N2CCOCC2)=NO1 ZINC000852856089 655624119 /nfs/dbraw/zinc/62/41/19/655624119.db2.gz UMXRODJGEQCQMY-NSHDSACASA-N 1 0 383.246 1.328 20 0 GDADRO O=C(C[C@H]1CCC[NH2+]1)N1CCC(n2nncc2I)CC1 ZINC000852860898 655624304 /nfs/dbraw/zinc/62/43/04/655624304.db2.gz KLBRITQJBGUYBS-SNVBAGLBSA-N 1 0 389.241 1.188 20 0 GDADRO O=C(CC[NH2+]C1CC1)N1CCC(n2nncc2I)CC1 ZINC000852861273 655624393 /nfs/dbraw/zinc/62/43/93/655624393.db2.gz SGYCQNXRIAZNQC-UHFFFAOYSA-N 1 0 389.241 1.188 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000852867492 655624592 /nfs/dbraw/zinc/62/45/92/655624592.db2.gz WGGWHWVWOAQIEB-UHFFFAOYSA-N 1 0 385.917 1.852 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)[C@H](CCSC)NS(=O)(=O)/C=C/c1ccccc1 ZINC000852919816 655628242 /nfs/dbraw/zinc/62/82/42/655628242.db2.gz CKUSLYUAAHYWLT-NNLJJJQZSA-N 1 0 385.555 1.423 20 0 GDADRO C[C@@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1(Br)Br ZINC000852919201 655628274 /nfs/dbraw/zinc/62/82/74/655628274.db2.gz RGPNZENYVCIGBW-JTQLQIEISA-N 1 0 394.067 1.153 20 0 GDADRO C[C@]1(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)CC[NH2+]C1 ZINC000853337229 655638510 /nfs/dbraw/zinc/63/85/10/655638510.db2.gz XVIQSHMYXGJMFM-LBPRGKRZSA-N 1 0 395.179 1.670 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853743254 655649111 /nfs/dbraw/zinc/64/91/11/655649111.db2.gz LYDPOLLUWCYGJR-AWEZNQCLSA-N 1 0 380.286 1.899 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCCn2cc(Br)cn2)CCO1 ZINC000854060254 655656691 /nfs/dbraw/zinc/65/66/91/655656691.db2.gz WHSIFOGLLZFCIB-CQSZACIVSA-N 1 0 388.310 1.398 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2csc(I)n2)CC1 ZINC000854277934 655659972 /nfs/dbraw/zinc/65/99/72/655659972.db2.gz MRCSFYVRGONNHH-UHFFFAOYSA-N 1 0 394.282 1.115 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000855163721 655686082 /nfs/dbraw/zinc/68/60/82/655686082.db2.gz DXXHJJPAWYTKRZ-VIFPVBQESA-N 1 0 377.869 1.729 20 0 GDADRO Cn1nc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Br ZINC000855401308 655693134 /nfs/dbraw/zinc/69/31/34/655693134.db2.gz JGYJFMCXZHLUJS-CQSZACIVSA-N 1 0 393.285 1.679 20 0 GDADRO C[C@H](CCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1)[NH+](C)C ZINC000855410607 655693512 /nfs/dbraw/zinc/69/35/12/655693512.db2.gz GNPBIYRCBGJSBU-SSDOTTSWSA-N 1 0 384.321 1.228 20 0 GDADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cnn(C)c1I ZINC000855899628 655703721 /nfs/dbraw/zinc/70/37/21/655703721.db2.gz QOSMFTSTKIVWOW-LLVKDONJSA-N 1 0 390.269 1.875 20 0 GDADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254546 655711023 /nfs/dbraw/zinc/71/10/23/655711023.db2.gz BXYNPLRZKCBQOV-RDJZCZTQSA-N 1 0 395.297 1.810 20 0 GDADRO COC(=O)c1cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)n2c1CCCC2 ZINC000856794802 655719295 /nfs/dbraw/zinc/71/92/95/655719295.db2.gz VDNAXJVRPNMTID-UHFFFAOYSA-N 1 0 382.404 1.678 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCc1ccc(Br)cc1F)C2 ZINC000857103927 655727882 /nfs/dbraw/zinc/72/78/82/655727882.db2.gz GTLDNBQSNLAUIS-SJKOYZFVSA-N 1 0 398.276 1.587 20 0 GDADRO C[NH+](C)C1CC(NC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C1 ZINC000857228891 655731508 /nfs/dbraw/zinc/73/15/08/655731508.db2.gz GSLDPTXHLUGVKR-UHFFFAOYSA-N 1 0 393.278 1.814 20 0 GDADRO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000857256361 655732328 /nfs/dbraw/zinc/73/23/28/655732328.db2.gz IZPIZFJCDOXKKX-RYUDHWBXSA-N 1 0 399.289 1.111 20 0 GDADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c(Br)nc4n3CCOC4)C2)C1 ZINC000857272394 655732815 /nfs/dbraw/zinc/73/28/15/655732815.db2.gz MDEMGHWMZDQQFO-MRXNPFEDSA-N 1 0 383.290 1.734 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c(Br)nc2n1CCOC2 ZINC000857298877 655733751 /nfs/dbraw/zinc/73/37/51/655733751.db2.gz KTICNTCTJRAAKE-NEPJUHHUSA-N 1 0 383.290 1.923 20 0 GDADRO Nc1c(Cl)ccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1Cl ZINC000857479739 655737422 /nfs/dbraw/zinc/73/74/22/655737422.db2.gz ZJUFISYTXUPSKN-UHFFFAOYSA-N 1 0 388.295 1.875 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnc(Br)c(Cl)c1 ZINC000857649061 655738788 /nfs/dbraw/zinc/73/87/88/655738788.db2.gz MXWDJUOLQWVTHU-UHFFFAOYSA-N 1 0 391.697 1.590 20 0 GDADRO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H]3CCCC[C@H]3NS(C)(=O)=O)cc12 ZINC000858252613 655746428 /nfs/dbraw/zinc/74/64/28/655746428.db2.gz MMVKWCZDOIBLBB-ZIAGYGMSSA-N 1 0 385.921 1.880 20 0 GDADRO C[C@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)C1CCS(=O)(=O)CC1 ZINC000858527166 655749016 /nfs/dbraw/zinc/74/90/16/655749016.db2.gz OPFIKUWEEJYIKY-ZFWWWQNUSA-N 1 0 376.519 1.425 20 0 GDADRO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000858540765 655749153 /nfs/dbraw/zinc/74/91/53/655749153.db2.gz AGCHGVXTEJTFNT-SECBINFHSA-N 1 0 376.226 1.703 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858608468 655750061 /nfs/dbraw/zinc/75/00/61/655750061.db2.gz JTSRWVCYZDFDCM-GXFFZTMASA-N 1 0 379.404 1.983 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C[C@@]1(C)C[NH3+] ZINC000858611739 655750222 /nfs/dbraw/zinc/75/02/22/655750222.db2.gz AUHVLPZRSLYVOL-QMTHXVAHSA-N 1 0 379.404 1.793 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000858624824 655751010 /nfs/dbraw/zinc/75/10/10/655751010.db2.gz LFIXKUGUECCLGQ-NWDGAFQWSA-N 1 0 386.417 1.399 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000858626087 655751120 /nfs/dbraw/zinc/75/11/20/655751120.db2.gz OEQQORSDUKRMBZ-UHFFFAOYSA-N 1 0 385.269 1.294 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000858632952 655751660 /nfs/dbraw/zinc/75/16/60/655751660.db2.gz UCBAYXUWFRDDRV-HTQZYQBOSA-N 1 0 397.316 1.716 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000858632953 655751696 /nfs/dbraw/zinc/75/16/96/655751696.db2.gz UCBAYXUWFRDDRV-JGVFFNPUSA-N 1 0 397.316 1.716 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000858677698 655752402 /nfs/dbraw/zinc/75/24/02/655752402.db2.gz LMRSBBBQAYECEV-NSHDSACASA-N 1 0 379.258 1.981 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000858677697 655752427 /nfs/dbraw/zinc/75/24/27/655752427.db2.gz LMRSBBBQAYECEV-LLVKDONJSA-N 1 0 379.258 1.981 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Br)cnc2F)CC1 ZINC000859087089 655762599 /nfs/dbraw/zinc/76/25/99/655762599.db2.gz WAYUKOAFIGJHHQ-CYBMUJFWSA-N 1 0 399.264 1.538 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000860197267 655796414 /nfs/dbraw/zinc/79/64/14/655796414.db2.gz SJHNHSOPDJTOKR-WFASDCNBSA-N 1 0 380.432 2.000 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000860196951 655796454 /nfs/dbraw/zinc/79/64/54/655796454.db2.gz NDGYUIQJDJBCPO-SWLSCSKDSA-N 1 0 391.331 1.744 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1nccn2c(Br)cnc12 ZINC000861035697 655812609 /nfs/dbraw/zinc/81/26/09/655812609.db2.gz KGFJLJJXQLRAJZ-NSHDSACASA-N 1 0 383.246 1.759 20 0 GDADRO C[C@H](C(=O)OCC[NH+]1CCC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000861386137 655820667 /nfs/dbraw/zinc/82/06/67/655820667.db2.gz MFJRQXXLTSOVRH-SNVBAGLBSA-N 1 0 381.226 1.683 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc(Br)c1F ZINC000861542199 655825534 /nfs/dbraw/zinc/82/55/34/655825534.db2.gz NHLZTSDBZMJISU-SSDOTTSWSA-N 1 0 390.209 1.119 20 0 GDADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861718716 655829100 /nfs/dbraw/zinc/82/91/00/655829100.db2.gz YTRPSUBQFXZXCV-LZWOXQAQSA-N 1 0 381.270 1.420 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)cc(C=O)c1 ZINC000862100639 655838510 /nfs/dbraw/zinc/83/85/10/655838510.db2.gz JEIWZTHBFFREBE-LLVKDONJSA-N 1 0 382.258 1.454 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862278127 655843827 /nfs/dbraw/zinc/84/38/27/655843827.db2.gz DCCJCOMSMVJJTI-ZIAGYGMSSA-N 1 0 378.535 1.814 20 0 GDADRO COCCNc1nn(CN2CCC(C)([NH+]3CCOCC3)CC2)c(=S)s1 ZINC000863314511 655865684 /nfs/dbraw/zinc/86/56/84/655865684.db2.gz MVWYJWFFGXTKQW-UHFFFAOYSA-N 1 0 387.575 1.877 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cnn(-c2ccccc2)c1Br ZINC000863319856 655865882 /nfs/dbraw/zinc/86/58/82/655865882.db2.gz SNBHVGBKFZHHGY-CYBMUJFWSA-N 1 0 379.258 1.431 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863543551 655875205 /nfs/dbraw/zinc/87/52/05/655875205.db2.gz QMPBHACJJDIBJM-VBNZEHGJSA-N 1 0 389.543 1.203 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000863579325 655876301 /nfs/dbraw/zinc/87/63/01/655876301.db2.gz AUKKTRYVZTZXHV-SJLPKXTDSA-N 1 0 396.329 1.721 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000863764011 655880370 /nfs/dbraw/zinc/88/03/70/655880370.db2.gz OERRUWROGBJHKZ-ZJUUUORDSA-N 1 0 378.420 1.674 20 0 GDADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C3)cs1 ZINC000863768098 655880544 /nfs/dbraw/zinc/88/05/44/655880544.db2.gz BEHIOAUPGJJDAS-SNVBAGLBSA-N 1 0 378.523 1.870 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cnn(-c2ccccc2)c1Br ZINC000863833645 655882829 /nfs/dbraw/zinc/88/28/29/655882829.db2.gz SNBHVGBKFZHHGY-ZDUSSCGKSA-N 1 0 379.258 1.431 20 0 GDADRO C[C@H](C[NH2+]Cc1cn(C)nc1I)N1C[C@@H](C)O[C@@H](C)C1 ZINC000864050928 655887863 /nfs/dbraw/zinc/88/78/63/655887863.db2.gz VUBSKNKUDYNQDR-UTUOFQBUSA-N 1 0 392.285 1.612 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000864051112 655888070 /nfs/dbraw/zinc/88/80/70/655888070.db2.gz AVTYMNQNPGMXIE-MHNGPXOMSA-N 1 0 381.283 1.804 20 0 GDADRO Cn1cc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c(I)n1 ZINC000864053140 655888248 /nfs/dbraw/zinc/88/82/48/655888248.db2.gz SYGCFUNYLAKCAS-CQSZACIVSA-N 1 0 393.269 1.682 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000864070335 655889239 /nfs/dbraw/zinc/88/92/39/655889239.db2.gz PHFDJEHLMPWVAP-UWVGGRQHSA-N 1 0 388.253 1.925 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000864088873 655890059 /nfs/dbraw/zinc/89/00/59/655890059.db2.gz KBPRASADXVKOBX-JFUSQASVSA-N 1 0 388.253 1.531 20 0 GDADRO CN(CCC[NH+](C)C)CCn1cc(COc2cccnc2Br)nn1 ZINC000864645828 655903646 /nfs/dbraw/zinc/90/36/46/655903646.db2.gz LWCNUJXMTBSUCZ-UHFFFAOYSA-N 1 0 397.321 1.898 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000865115892 655912468 /nfs/dbraw/zinc/91/24/68/655912468.db2.gz CSDSAYITGMBDEJ-NSHDSACASA-N 1 0 386.279 1.880 20 0 GDADRO C[NH+]1CCC(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)CC1 ZINC000865330120 655917018 /nfs/dbraw/zinc/91/70/18/655917018.db2.gz OXJDRKFCPVVIIF-UHFFFAOYSA-N 1 0 380.905 1.615 20 0 GDADRO C[NH+]1CCC(NC(=O)Cn2c(=O)onc2-c2cccc(Br)c2)CC1 ZINC000865354514 655917978 /nfs/dbraw/zinc/91/79/78/655917978.db2.gz UFRYGUHLMKUFTR-UHFFFAOYSA-N 1 0 395.257 1.476 20 0 GDADRO COCC[C@H](C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000865473326 655920458 /nfs/dbraw/zinc/92/04/58/655920458.db2.gz MKSHHHSPYWVSIH-RRFJBIMHSA-N 1 0 378.535 1.862 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1S(N)(=O)=O ZINC000865540647 655921465 /nfs/dbraw/zinc/92/14/65/655921465.db2.gz VFQZVUJPOADNKM-LLVKDONJSA-N 1 0 376.320 1.875 20 0 GDADRO CNS(=O)(=O)CC[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000865539744 655921508 /nfs/dbraw/zinc/92/15/08/655921508.db2.gz VSUGZAIQYSLMCZ-UHFFFAOYSA-N 1 0 389.543 1.680 20 0 GDADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000865556513 655921833 /nfs/dbraw/zinc/92/18/33/655921833.db2.gz UILXQVOJGMVZHY-GWCFXTLKSA-N 1 0 392.319 1.660 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NCc2ncc(I)s2)C1 ZINC000865659958 655923782 /nfs/dbraw/zinc/92/37/82/655923782.db2.gz NXBXAQPIRCFMNP-VIFPVBQESA-N 1 0 381.283 1.683 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]Cc3ccccc3I)COCCN12 ZINC000865768699 655926092 /nfs/dbraw/zinc/92/60/92/655926092.db2.gz OZUAWWNTWFYOFK-CQSZACIVSA-N 1 0 388.205 1.602 20 0 GDADRO COc1ccc(C[NH2+]C[C@]23COC(=O)N2CCOC3)c(Br)c1O ZINC000865770891 655926212 /nfs/dbraw/zinc/92/62/12/655926212.db2.gz VNGVKAYPBNSISV-HNNXBMFYSA-N 1 0 387.230 1.474 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000865789316 655926756 /nfs/dbraw/zinc/92/67/56/655926756.db2.gz WVTRNZYVZBJQAP-HNNXBMFYSA-N 1 0 398.301 1.370 20 0 GDADRO O=C1COC[C@]2(C[NH2+]Cc3ccc(Br)c(F)c3F)COCCN12 ZINC000865795013 655926908 /nfs/dbraw/zinc/92/69/08/655926908.db2.gz JCFLQBDXPGQXRA-HNNXBMFYSA-N 1 0 391.212 1.445 20 0 GDADRO COc1ccc(Br)cc1C[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000865801086 655927181 /nfs/dbraw/zinc/92/71/81/655927181.db2.gz QGEVILUUOLWLMR-MRXNPFEDSA-N 1 0 385.258 1.175 20 0 GDADRO COC[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1cccc(Br)c1 ZINC000865824065 655927883 /nfs/dbraw/zinc/92/78/83/655927883.db2.gz JRGHIORUSFTRHG-AWEZNQCLSA-N 1 0 382.258 1.324 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(I)nn2C)C1 ZINC000866191472 655935677 /nfs/dbraw/zinc/93/56/77/655935677.db2.gz GSKHYMYPVABGTI-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO CC(C)[C@H]1CN(c2ccc(Br)cc2S(N)(=O)=O)CC[N@@H+]1C ZINC000866217398 655936414 /nfs/dbraw/zinc/93/64/14/655936414.db2.gz YJYPSWSLWXESRU-CYBMUJFWSA-N 1 0 376.320 1.873 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000866527126 655948307 /nfs/dbraw/zinc/94/83/07/655948307.db2.gz VEAVYWOCIVMXSG-UHFFFAOYSA-N 1 0 377.532 1.469 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)c(Br)c1 ZINC000866553815 655949196 /nfs/dbraw/zinc/94/91/96/655949196.db2.gz OCZRHIANZVZRRF-PXAZEXFGSA-N 1 0 399.285 1.736 20 0 GDADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1nc[nH]c1Br ZINC000866580438 655950439 /nfs/dbraw/zinc/95/04/39/655950439.db2.gz IKAOLORGBXDYDX-UHFFFAOYSA-N 1 0 379.324 1.913 20 0 GDADRO O=C1N[C@H]2CN(Cc3ncccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000866665561 655952871 /nfs/dbraw/zinc/95/28/71/655952871.db2.gz FIHSVFKPIVCNCN-HOTGVXAUSA-N 1 0 394.317 1.564 20 0 GDADRO [NH3+][C@H]1CCCCCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000866670762 655952950 /nfs/dbraw/zinc/95/29/50/655952950.db2.gz UOEYGRLQPCBIGB-LBPRGKRZSA-N 1 0 375.441 1.825 20 0 GDADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1cnn(C)c1Br ZINC000866727227 655956825 /nfs/dbraw/zinc/95/68/25/655956825.db2.gz AUVAOPOYIPBKGN-UHFFFAOYSA-N 1 0 381.340 1.973 20 0 GDADRO C[C@H](CNS(=O)(=O)c1nc[nH]c1Br)[N@H+](C)Cc1ccccc1 ZINC000866766051 655960500 /nfs/dbraw/zinc/96/05/00/655960500.db2.gz HSAQRKFNGQUYHY-LLVKDONJSA-N 1 0 387.303 1.971 20 0 GDADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)nc1F ZINC000866770911 655961398 /nfs/dbraw/zinc/96/13/98/655961398.db2.gz IRNWORPMNHHFTQ-UHFFFAOYSA-N 1 0 376.885 1.369 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(Br)c(F)c2)CC1 ZINC000866777835 655962377 /nfs/dbraw/zinc/96/23/77/655962377.db2.gz OUVPMGWGGPKUKQ-UHFFFAOYSA-N 1 0 395.294 1.934 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000866777736 655962411 /nfs/dbraw/zinc/96/24/11/655962411.db2.gz MXENDIJWFJFCFP-CABCVRRESA-N 1 0 377.507 1.695 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2nc[nH]c2Br)CC[C@H]1C(F)(F)F ZINC000866779205 655962657 /nfs/dbraw/zinc/96/26/57/655962657.db2.gz JWEBUODASNSSFX-RNFRBKRXSA-N 1 0 391.213 1.320 20 0 GDADRO C[C@H]([NH2+]C1(CNS(=O)(=O)N=S(C)(C)=O)CCOCC1)c1ccccc1 ZINC000866785243 655963258 /nfs/dbraw/zinc/96/32/58/655963258.db2.gz UMCCBTDFJHIXCR-AWEZNQCLSA-N 1 0 389.543 1.448 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000866796298 655964586 /nfs/dbraw/zinc/96/45/86/655964586.db2.gz BYNZRZPCSHRMRV-LLVKDONJSA-N 1 0 378.491 1.286 20 0 GDADRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000866802336 655965333 /nfs/dbraw/zinc/96/53/33/655965333.db2.gz CIGHDEHLGDKPND-UHFFFAOYSA-N 1 0 386.948 1.568 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)c(F)cc1Br ZINC000866805910 655965742 /nfs/dbraw/zinc/96/57/42/655965742.db2.gz XDEPVWARZTXFFE-OCAPTIKFSA-N 1 0 395.250 1.390 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866809860 655966067 /nfs/dbraw/zinc/96/60/67/655966067.db2.gz ONAOAPGLCFJLNJ-ILWJIGKKSA-N 1 0 380.333 1.856 20 0 GDADRO COCCC1(NS(=O)(=O)c2c(Cl)nc3sccn32)CC[NH2+]CC1 ZINC000866820393 655967028 /nfs/dbraw/zinc/96/70/28/655967028.db2.gz HAQWWMRRAHFSTF-UHFFFAOYSA-N 1 0 378.907 1.486 20 0 GDADRO COCCC1(NS(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CC[NH2+]CC1 ZINC000866821658 655967095 /nfs/dbraw/zinc/96/70/95/655967095.db2.gz ODIBJLXQXYPNOY-UHFFFAOYSA-N 1 0 390.889 1.564 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866825349 655967443 /nfs/dbraw/zinc/96/74/43/655967443.db2.gz PWKGVQCNJGGMEW-KBPBESRZSA-N 1 0 375.288 1.973 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866827783 655967679 /nfs/dbraw/zinc/96/76/79/655967679.db2.gz SMHYACKBCFZYLA-OLZOCXBDSA-N 1 0 375.288 1.973 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc2onc(Cl)c2c1 ZINC000866843812 655969511 /nfs/dbraw/zinc/96/95/11/655969511.db2.gz MURCPEGZVANAAF-GFCCVEGCSA-N 1 0 387.889 1.996 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000866892263 655974377 /nfs/dbraw/zinc/97/43/77/655974377.db2.gz RQNVWVMVEUIBAV-LLVKDONJSA-N 1 0 379.324 1.535 20 0 GDADRO CCOC(=O)C1(S(=O)(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CCC1 ZINC000866904595 655975539 /nfs/dbraw/zinc/97/55/39/655975539.db2.gz JNSJDCOWSULRTL-OAHLLOKOSA-N 1 0 376.519 1.235 20 0 GDADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)nc1F ZINC000866982892 655983881 /nfs/dbraw/zinc/98/38/81/655983881.db2.gz YWPZPOGSUBTFBI-STQMWFEESA-N 1 0 375.441 1.406 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cccnc2Br)CC1 ZINC000866985587 655984148 /nfs/dbraw/zinc/98/41/48/655984148.db2.gz LBWXGBXMSZZDGK-UHFFFAOYSA-N 1 0 378.292 1.190 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1Br ZINC000867012086 655987083 /nfs/dbraw/zinc/98/70/83/655987083.db2.gz JARUKWIXDAFLDA-LBPRGKRZSA-N 1 0 391.335 1.535 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(I)nn2C)C[C@@H]1[NH+](C)C ZINC000867021752 655988312 /nfs/dbraw/zinc/98/83/12/655988312.db2.gz ZQJXPFDCIRYCPV-VHSXEESVSA-N 1 0 394.282 1.142 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000867147439 656002452 /nfs/dbraw/zinc/00/24/52/656002452.db2.gz KPTZBGKHHDFPLF-CQSZACIVSA-N 1 0 375.535 1.647 20 0 GDADRO Cn1ncc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)c1Br ZINC000867186945 656008395 /nfs/dbraw/zinc/00/83/95/656008395.db2.gz UXTKIUASSFGQKI-UHFFFAOYSA-N 1 0 379.324 1.583 20 0 GDADRO Cn1ncc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1Br ZINC000867197376 656011033 /nfs/dbraw/zinc/01/10/33/656011033.db2.gz SGGQMGXDIYYQCV-UHFFFAOYSA-N 1 0 379.324 1.583 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2Br)CC[N@@H+](C2CCC2)C1 ZINC000867299256 656033803 /nfs/dbraw/zinc/03/38/03/656033803.db2.gz PYVDQLHQJHRFGR-NSHDSACASA-N 1 0 391.335 1.678 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(Br)n1 ZINC000867308111 656035408 /nfs/dbraw/zinc/03/54/08/656035408.db2.gz DUJYGIDGAIUTCT-CYBMUJFWSA-N 1 0 377.308 1.289 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1Br ZINC000867308722 656035668 /nfs/dbraw/zinc/03/56/68/656035668.db2.gz MFWVLUHAPARLFA-ZDUSSCGKSA-N 1 0 377.308 1.289 20 0 GDADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000867348868 656042997 /nfs/dbraw/zinc/04/29/97/656042997.db2.gz LOBOULNIYHRZST-UHFFFAOYSA-N 1 0 389.543 1.751 20 0 GDADRO CC[N@@H+]1CCCN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000867395633 656051927 /nfs/dbraw/zinc/05/19/27/656051927.db2.gz OLJRQAHJSMGDTQ-CQSZACIVSA-N 1 0 375.535 1.599 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867515034 656074397 /nfs/dbraw/zinc/07/43/97/656074397.db2.gz GZODAFSBSMOYES-RISCZKNCSA-N 1 0 383.290 1.259 20 0 GDADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000867600876 656091828 /nfs/dbraw/zinc/09/18/28/656091828.db2.gz QAYAEVXKLGMCOJ-UHFFFAOYSA-N 1 0 377.308 1.811 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1C[C@H](CNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000867788093 656116500 /nfs/dbraw/zinc/11/65/00/656116500.db2.gz XRBZVHURINYCIQ-SHTZXODSSA-N 1 0 375.535 1.695 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)cc2C1 ZINC000867812152 656120184 /nfs/dbraw/zinc/12/01/84/656120184.db2.gz UTIJPGAEPUYWPW-ZFWWWQNUSA-N 1 0 383.539 1.367 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cc1Cl ZINC000867816529 656121024 /nfs/dbraw/zinc/12/10/24/656121024.db2.gz DJNYCUADNGJROR-UHFFFAOYSA-N 1 0 388.921 1.144 20 0 GDADRO CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)N1CCOCC1 ZINC000867964102 656135992 /nfs/dbraw/zinc/13/59/92/656135992.db2.gz ZUFVOYPNWUYXPS-CVEARBPZSA-N 1 0 384.318 1.922 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000868253570 656146682 /nfs/dbraw/zinc/14/66/82/656146682.db2.gz PNYMDSSVLFEANZ-QWRGUYRKSA-N 1 0 384.274 1.840 20 0 GDADRO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868276481 656148274 /nfs/dbraw/zinc/14/82/74/656148274.db2.gz CQCRMFNFENGABE-STQMWFEESA-N 1 0 380.901 1.404 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000868294400 656149503 /nfs/dbraw/zinc/14/95/03/656149503.db2.gz MKHCHJZWXQKMRK-NSHDSACASA-N 1 0 383.290 1.985 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c(Br)n1 ZINC000868293997 656149578 /nfs/dbraw/zinc/14/95/78/656149578.db2.gz HNTWIBSAUXLUDZ-NSHDSACASA-N 1 0 383.290 1.985 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C1 ZINC000868303611 656150005 /nfs/dbraw/zinc/15/00/05/656150005.db2.gz IDOLNDIZCHVWNL-KLPPZKSPSA-N 1 0 378.270 1.681 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(I)nn1C ZINC000868335015 656150961 /nfs/dbraw/zinc/15/09/61/656150961.db2.gz BCRIVJSSLYBDCQ-MNOVXSKESA-N 1 0 388.253 1.724 20 0 GDADRO CCOC(=O)CS[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C(F)(F)F ZINC000868365165 656152041 /nfs/dbraw/zinc/15/20/41/656152041.db2.gz CYJYADASGCVCOH-CMPLNLGQSA-N 1 0 383.436 1.750 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000868384714 656153125 /nfs/dbraw/zinc/15/31/25/656153125.db2.gz GLEVZBGLICIKJA-CABCVRRESA-N 1 0 398.301 1.593 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1cccc(Br)c1 ZINC000868389759 656153691 /nfs/dbraw/zinc/15/36/91/656153691.db2.gz UCCGHMYMIOLUDD-SMDDNHRTSA-N 1 0 384.274 1.073 20 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SIWCEGPCKGGHRS-VHSXEESVSA-N 1 0 375.210 1.808 20 0 GDADRO CCC1N=NC(=S)N1CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870893313 656253713 /nfs/dbraw/zinc/25/37/13/656253713.db2.gz MVEZWQWVENZXKO-LBPRGKRZSA-N 1 0 384.303 1.708 20 0 GDADRO CC(C)n1ncc(C(=O)NCC[C@@H]2CC[NH2+]C2)c1I ZINC000870935550 656256450 /nfs/dbraw/zinc/25/64/50/656256450.db2.gz QLZOZEWOECPPOP-JTQLQIEISA-N 1 0 376.242 1.798 20 0 GDADRO CC(=O)N[C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)c1cccc(Br)c1 ZINC000870944175 656257820 /nfs/dbraw/zinc/25/78/20/656257820.db2.gz CEWBIWHZKJOQSP-HUUCEWRRSA-N 1 0 384.274 1.121 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1I ZINC000870944291 656257854 /nfs/dbraw/zinc/25/78/54/656257854.db2.gz FDURWMVIRSTUAH-ZJUUUORDSA-N 1 0 376.242 1.926 20 0 GDADRO CC(=O)N[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)c1cccc(Br)c1 ZINC000870945198 656258001 /nfs/dbraw/zinc/25/80/01/656258001.db2.gz PEQYHFYTDNHLQU-RYUDHWBXSA-N 1 0 378.217 1.725 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000870965586 656259032 /nfs/dbraw/zinc/25/90/32/656259032.db2.gz RYDDJOQDRNXIID-BJHJDKERSA-N 1 0 389.315 1.857 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2=O)ccc1Br ZINC000870969681 656259273 /nfs/dbraw/zinc/25/92/73/656259273.db2.gz IDWORTXTPMLODV-AVGNSLFASA-N 1 0 380.286 1.964 20 0 GDADRO O=C(Cc1cccc(Cl)c1Cl)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997588 656259630 /nfs/dbraw/zinc/25/96/30/656259630.db2.gz ORCWSNOFCBCJGH-BNOWGMLFSA-N 1 0 384.263 1.929 20 0 GDADRO O=C([C@H]1SCCc2sccc21)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871000426 656259773 /nfs/dbraw/zinc/25/97/73/656259773.db2.gz UOWUDRJSPOWSJH-PBOSXPJTSA-N 1 0 379.507 1.472 20 0 GDADRO O=C([C@@H]1SCCc2sccc21)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871000428 656259800 /nfs/dbraw/zinc/25/98/00/656259800.db2.gz UOWUDRJSPOWSJH-QMPIGLIWSA-N 1 0 379.507 1.472 20 0 GDADRO COC[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000871008891 656260315 /nfs/dbraw/zinc/26/03/15/656260315.db2.gz NTXWCMBOCVLRTC-HUUCEWRRSA-N 1 0 398.301 1.511 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000871019513 656260321 /nfs/dbraw/zinc/26/03/21/656260321.db2.gz DVOCTMLVRHRYSY-WDEREUQCSA-N 1 0 388.253 1.277 20 0 GDADRO Cn1ncc(I)c1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000871020549 656260439 /nfs/dbraw/zinc/26/04/39/656260439.db2.gz XRKOEKFKKUSTNX-UHFFFAOYSA-N 1 0 382.205 1.558 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000871020585 656260459 /nfs/dbraw/zinc/26/04/59/656260459.db2.gz YLLFCZXSECQOMQ-LBPRGKRZSA-N 1 0 396.232 1.528 20 0 GDADRO C[NH+](C)C1(C)CCC(NC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000871357743 656265951 /nfs/dbraw/zinc/26/59/51/656265951.db2.gz RZOZGCBAMZRVLE-UHFFFAOYSA-N 1 0 381.278 1.880 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC000871804608 656279990 /nfs/dbraw/zinc/27/99/90/656279990.db2.gz KPQLRVNXIRUYPV-SNVBAGLBSA-N 1 0 379.404 1.239 20 0 GDADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000871807490 656280441 /nfs/dbraw/zinc/28/04/41/656280441.db2.gz VCGGWCMZNOIONK-LFVRLGFBSA-N 1 0 381.564 1.218 20 0 GDADRO COc1ncc(S(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000871810135 656280767 /nfs/dbraw/zinc/28/07/67/656280767.db2.gz JDPYDHXAADFTLW-LLVKDONJSA-N 1 0 375.878 1.181 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000871810155 656280870 /nfs/dbraw/zinc/28/08/70/656280870.db2.gz JTBXQQDXMRJHSR-HNNXBMFYSA-N 1 0 380.491 1.083 20 0 GDADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cnc(Cl)c(Cl)c1 ZINC000871811569 656281273 /nfs/dbraw/zinc/28/12/73/656281273.db2.gz YMJAWZXIWPHBRS-SNVBAGLBSA-N 1 0 380.297 1.825 20 0 GDADRO CC(=O)Nc1ccc(C)c(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000871812169 656281310 /nfs/dbraw/zinc/28/13/10/656281310.db2.gz YCHRTVVHTYHZTF-AAEUAGOBSA-N 1 0 379.404 1.711 20 0 GDADRO CC(=O)Nc1ccc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871812171 656281571 /nfs/dbraw/zinc/28/15/71/656281571.db2.gz YCHRTVVHTYHZTF-WCQYABFASA-N 1 0 379.404 1.711 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)C[C@@H]1C(F)(F)F ZINC000871812825 656281681 /nfs/dbraw/zinc/28/16/81/656281681.db2.gz LDWUMFMRSPJYQR-CBAPKCEASA-N 1 0 388.314 1.766 20 0 GDADRO CC(=O)Nc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1C ZINC000871813212 656281874 /nfs/dbraw/zinc/28/18/74/656281874.db2.gz HDIFMRFECSCQDJ-DGCLKSJQSA-N 1 0 379.404 1.711 20 0 GDADRO CC(=O)Nc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1C ZINC000871813214 656281929 /nfs/dbraw/zinc/28/19/29/656281929.db2.gz HDIFMRFECSCQDJ-YPMHNXCESA-N 1 0 379.404 1.711 20 0 GDADRO COCc1ccc(OC)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871813684 656282270 /nfs/dbraw/zinc/28/22/70/656282270.db2.gz JVDYKLQCRQUMNK-VXGBXAGGSA-N 1 0 382.404 1.599 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871813812 656282273 /nfs/dbraw/zinc/28/22/73/656282273.db2.gz YIHBSLHDLKMZOJ-HTRCEHHLSA-N 1 0 380.314 1.197 20 0 GDADRO COc1ccccc1[C@@H]1CSCCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000871822708 656283973 /nfs/dbraw/zinc/28/39/73/656283973.db2.gz KTVDCMWBIMLACY-ZBFHGGJFSA-N 1 0 386.539 1.493 20 0 GDADRO Cc1nn(CCS(C)(=O)=O)c(C)c1CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148955 656318628 /nfs/dbraw/zinc/31/86/28/656318628.db2.gz JLGUNMWTHKICQQ-JSGCOSHPSA-N 1 0 382.452 1.114 20 0 GDADRO Cc1nn(CCS(C)(=O)=O)c(C)c1CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148957 656318649 /nfs/dbraw/zinc/31/86/49/656318649.db2.gz JLGUNMWTHKICQQ-OCCSQVGLSA-N 1 0 382.452 1.114 20 0 GDADRO C[C@]1(c2nc(CNC(=O)c3ccc(Br)cc3)no2)C[NH2+]CCO1 ZINC000872180779 656319077 /nfs/dbraw/zinc/31/90/77/656319077.db2.gz BFHYSMCMAGZYON-OAHLLOKOSA-N 1 0 381.230 1.597 20 0 GDADRO CNS(=O)(=O)CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000872220271 656320183 /nfs/dbraw/zinc/32/01/83/656320183.db2.gz GHRCBTMQGIBCCT-CYBMUJFWSA-N 1 0 399.738 1.839 20 0 GDADRO CN(C[C@@H](O)C[NH2+]Cc1c(Br)cnn1C)C(=O)OC(C)(C)C ZINC000872220345 656320268 /nfs/dbraw/zinc/32/02/68/656320268.db2.gz LZYKFAJERAZSKV-JTQLQIEISA-N 1 0 377.283 1.500 20 0 GDADRO O=C(CC[NH2+]C[C@@]12COC(=O)N1CCOC2)Nc1ccc(Br)cc1 ZINC000872228858 656320445 /nfs/dbraw/zinc/32/04/45/656320445.db2.gz MHKFGPYYFUHDNE-MRXNPFEDSA-N 1 0 398.257 1.589 20 0 GDADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000872230194 656320713 /nfs/dbraw/zinc/32/07/13/656320713.db2.gz VMRIETDVMXXXQG-HQQWDMGQSA-N 1 0 390.249 1.963 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000872235614 656320918 /nfs/dbraw/zinc/32/09/18/656320918.db2.gz WNKQAAXQDILXOJ-KRWDZBQOSA-N 1 0 382.913 1.984 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872263710 656322054 /nfs/dbraw/zinc/32/20/54/656322054.db2.gz BODJTOAGTGAART-CABCVRRESA-N 1 0 394.269 1.846 20 0 GDADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872443338 656328528 /nfs/dbraw/zinc/32/85/28/656328528.db2.gz NGTHFHAYRLHDAD-XMMPIXPASA-N 1 0 391.559 1.858 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cccc(Br)n1 ZINC000872447713 656329978 /nfs/dbraw/zinc/32/99/78/656329978.db2.gz WJSWIKXSLGXBLQ-UHFFFAOYSA-N 1 0 394.335 1.823 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872462316 656334039 /nfs/dbraw/zinc/33/40/39/656334039.db2.gz BHXJQMTVJPJFIV-RVCDHGHASA-N 1 0 381.564 1.311 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872499119 656342731 /nfs/dbraw/zinc/34/27/31/656342731.db2.gz FDCHHTQPHOAQOO-SNVBAGLBSA-N 1 0 379.404 1.504 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(CN3c4cccc(Br)c4C(=O)C3=O)CC[C@@H]21 ZINC000872726337 656375119 /nfs/dbraw/zinc/37/51/19/656375119.db2.gz PAMACUXEAYPDGF-AAEUAGOBSA-N 1 0 378.270 1.962 20 0 GDADRO O=C(NCc1ncc(Cl)s1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000873099823 656386150 /nfs/dbraw/zinc/38/61/50/656386150.db2.gz RNMBKLOPQJIFCM-LBPRGKRZSA-N 1 0 380.857 1.712 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2nc3c(s2)CCCC3)C[C@H]1C(F)(F)F ZINC000873108073 656386822 /nfs/dbraw/zinc/38/68/22/656386822.db2.gz TYBFQUJRZVVKIA-DTWKUNHWSA-N 1 0 376.404 1.556 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1Cl ZINC000873108282 656386844 /nfs/dbraw/zinc/38/68/44/656386844.db2.gz WFEOYEWVHUQSCU-SCZZXKLOSA-N 1 0 379.766 1.883 20 0 GDADRO O=S(=O)(Cc1ccon1)N1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873208318 656389828 /nfs/dbraw/zinc/38/98/28/656389828.db2.gz TWEKIONJVDJZMH-UHFFFAOYSA-N 1 0 382.511 1.029 20 0 GDADRO Cn1cc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc(Br)c1=O ZINC000873313134 656390359 /nfs/dbraw/zinc/39/03/59/656390359.db2.gz XNDYOMIZWCGWOT-VXNVDRBHSA-N 1 0 397.195 1.749 20 0 GDADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000873720785 656406967 /nfs/dbraw/zinc/40/69/67/656406967.db2.gz RZHIASJPFLLRCO-NSHDSACASA-N 1 0 382.258 1.658 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3c4c(ccc3Br)OCC4)[C@@H]2C1 ZINC000873891266 656426432 /nfs/dbraw/zinc/42/64/32/656426432.db2.gz IUCVCSWYJIPPRD-GXFFZTMASA-N 1 0 394.269 1.485 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000873891500 656426880 /nfs/dbraw/zinc/42/68/80/656426880.db2.gz NCWGASIHMWUVAK-ZWNOBZJWSA-N 1 0 382.258 1.559 20 0 GDADRO Cn1nc2c(c1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)COCC2 ZINC000921924353 656428853 /nfs/dbraw/zinc/42/88/53/656428853.db2.gz NZLLGUVOHQKPRW-UHFFFAOYSA-N 1 0 390.918 1.276 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cnc1Br ZINC000873973258 656435194 /nfs/dbraw/zinc/43/51/94/656435194.db2.gz FEROTQCKPIRWSB-NSHDSACASA-N 1 0 399.289 1.052 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)c(C)cc1I ZINC000922064781 656452891 /nfs/dbraw/zinc/45/28/91/656452891.db2.gz PYVVVGCPHOWUQG-NSHDSACASA-N 1 0 387.221 1.628 20 0 GDADRO C[N@H+](CCNC(=O)Cc1c[nH]c2cccc(Br)c12)CCOCCO ZINC000922119189 656457907 /nfs/dbraw/zinc/45/79/07/656457907.db2.gz NWYCPEIIOJRXID-UHFFFAOYSA-N 1 0 398.301 1.530 20 0 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COC[C@]1(C(=O)NCc2cc(F)c(Br)cc2F)C[NH2+]CCO1 ZINC000877031996 656647735 /nfs/dbraw/zinc/64/77/35/656647735.db2.gz FLUCWZYJZCUAJD-AWEZNQCLSA-N 1 0 379.201 1.349 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccccc2C[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877037937 656648244 /nfs/dbraw/zinc/64/82/44/656648244.db2.gz ZVZOFCZDIXMOIM-AWEZNQCLSA-N 1 0 392.352 1.906 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1Cl ZINC000877048078 656649287 /nfs/dbraw/zinc/64/92/87/656649287.db2.gz HSVYIYWWNYNWBU-PWSUYJOCSA-N 1 0 375.878 1.392 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C[NH2+]1 ZINC000877049764 656649744 /nfs/dbraw/zinc/64/97/44/656649744.db2.gz WRVROMIGVRKMPL-STQMWFEESA-N 1 0 385.917 1.995 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000877048493 656649784 /nfs/dbraw/zinc/64/97/84/656649784.db2.gz MUMUBSWIJPGOIT-NEPJUHHUSA-N 1 0 389.905 1.135 20 0 GDADRO COc1cc(I)ccc1C(=O)NCCOCCC[NH3+] ZINC000877053907 656650426 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GDADRO CC(C)[NH+](CCNC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)C(C)C ZINC000877923471 656697783 /nfs/dbraw/zinc/69/77/83/656697783.db2.gz QPJHRXIYOOYTMW-CQSZACIVSA-N 1 0 387.571 1.823 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC(CO)(C(F)(F)F)CC1 ZINC000925172316 656697910 /nfs/dbraw/zinc/69/79/10/656697910.db2.gz SAMCTEKCTWNPAC-QWHCGFSZSA-N 1 0 381.464 1.913 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925257800 656703002 /nfs/dbraw/zinc/70/30/02/656703002.db2.gz BQNMQUQYQRGNCR-ZFWWWQNUSA-N 1 0 386.949 1.963 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000925335026 656706492 /nfs/dbraw/zinc/70/64/92/656706492.db2.gz QCWFVKMEFJUBRU-XPKDYRNWSA-N 1 0 384.318 1.992 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)N2CCn3ncc(I)c3C2)CC[N@@H+]1C ZINC000925349021 656706666 /nfs/dbraw/zinc/70/66/66/656706666.db2.gz SVMSSJQFQPUGQT-KOLCDFICSA-N 1 0 389.241 1.106 20 0 GDADRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000925415558 656710730 /nfs/dbraw/zinc/71/07/30/656710730.db2.gz DSKCZVQOMNMFEQ-SJKOYZFVSA-N 1 0 376.469 1.822 20 0 GDADRO C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000925415556 656710733 /nfs/dbraw/zinc/71/07/33/656710733.db2.gz DSKCZVQOMNMFEQ-SJCJKPOMSA-N 1 0 376.469 1.822 20 0 GDADRO C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000925429756 656711481 /nfs/dbraw/zinc/71/14/81/656711481.db2.gz ITADDSUYEYAACD-FZMZJTMJSA-N 1 0 388.281 1.743 20 0 GDADRO Cn1nnnc1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000878213358 656712356 /nfs/dbraw/zinc/71/23/56/656712356.db2.gz DFSNYUIRMZNHEQ-UHFFFAOYSA-N 1 0 394.277 1.261 20 0 GDADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCn2cnnn2)CC1 ZINC000878224626 656712945 /nfs/dbraw/zinc/71/29/45/656712945.db2.gz FVPVMZLZQJWENA-UHFFFAOYSA-N 1 0 379.262 1.786 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)s1 ZINC000925488420 656713743 /nfs/dbraw/zinc/71/37/43/656713743.db2.gz CLANTSDJAZDJCF-CSAOUQSSSA-N 1 0 383.583 1.907 20 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1 0 386.539 1.361 20 0 GDADRO CCn1ncc(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1Br ZINC000926194401 656740925 /nfs/dbraw/zinc/74/09/25/656740925.db2.gz ALKHFWZEQLHWLU-VMUDFCTBSA-N 1 0 399.333 1.875 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Br)n[nH]3)C2)[C@H]1C(C)C ZINC000926237124 656741396 /nfs/dbraw/zinc/74/13/96/656741396.db2.gz AYWQUOCKGJOKHV-NCZKRNLISA-N 1 0 385.306 1.772 20 0 GDADRO C[N@H+](C[C@@H](O)CC1(O)CCOCC1)C[C@@H](O)c1cccc(Br)c1 ZINC000878709614 656743357 /nfs/dbraw/zinc/74/33/57/656743357.db2.gz PLJTZNQWRUZERM-JKSUJKDBSA-N 1 0 388.302 1.707 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N(C)CC2CC[NH+](C)CC2)cs1)C(N)=O ZINC000878730742 656744688 /nfs/dbraw/zinc/74/46/88/656744688.db2.gz RBZGITZLLYCHGL-CQSZACIVSA-N 1 0 384.571 1.842 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)C1 ZINC000926432148 656754143 /nfs/dbraw/zinc/75/41/43/656754143.db2.gz LZYVXYOAQVDKFN-NSHDSACASA-N 1 0 398.276 1.670 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)C[C@H]1[NH3+] ZINC000926431966 656754219 /nfs/dbraw/zinc/75/42/19/656754219.db2.gz JMUCZQKXNDTLCE-YMTOWFKASA-N 1 0 384.249 1.279 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2csc(S[C@H](C)C(N)=O)n2)C1 ZINC000879016112 656767658 /nfs/dbraw/zinc/76/76/58/656767658.db2.gz JHDONBGOGMBTJJ-CHWSQXEVSA-N 1 0 384.571 1.842 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CC[C@H](C[N@H+](C)CC)C2)cs1)C(N)=O ZINC000879022811 656768962 /nfs/dbraw/zinc/76/89/62/656768962.db2.gz ZTYXIKFIAKQQFY-TZMCWYRMSA-N 1 0 384.571 1.842 20 0 GDADRO O=C(NCC[NH2+][C@H]1CCOC12CCOCC2)c1ccc(Br)cn1 ZINC000926681728 656776673 /nfs/dbraw/zinc/77/66/73/656776673.db2.gz ATFDJLXXDKRXGJ-AWEZNQCLSA-N 1 0 384.274 1.502 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cs1)C(N)=O ZINC000879145898 656777832 /nfs/dbraw/zinc/77/78/32/656777832.db2.gz ZEZNDQKZQKRISS-BPNCWPANSA-N 1 0 382.555 1.641 20 0 GDADRO CCO[C@@H](CNC(=O)NC[C@H](O)c1ccccc1Br)C[NH+](C)C ZINC000926847279 656780972 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GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3(n4cc(Br)cn4)CC3)CC[C@H]21 ZINC000927115830 656794886 /nfs/dbraw/zinc/79/48/86/656794886.db2.gz MPWDINHBHJGKHC-TZMCWYRMSA-N 1 0 382.306 1.870 20 0 GDADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927629348 656819219 /nfs/dbraw/zinc/81/92/19/656819219.db2.gz ICIORSAZVLEUFL-AWEZNQCLSA-N 1 0 398.305 1.634 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000927811361 656841072 /nfs/dbraw/zinc/84/10/72/656841072.db2.gz UFVCKHIVSZVUGZ-LHLIQPBNSA-N 1 0 378.629 1.904 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000927816299 656841717 /nfs/dbraw/zinc/84/17/17/656841717.db2.gz NAWUNIHRUJVOHU-MNOVXSKESA-N 1 0 384.274 1.676 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C[C@H]1[NH3+] ZINC000927854691 656845327 /nfs/dbraw/zinc/84/53/27/656845327.db2.gz MVMUHXDMIYMCKG-CYBMUJFWSA-N 1 0 398.257 1.355 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2ccc(I)cc2)C[C@@H]1[NH3+] ZINC000927857452 656846162 /nfs/dbraw/zinc/84/61/62/656846162.db2.gz GTVGGNIRQUFRQU-NSHDSACASA-N 1 0 387.221 1.425 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1)C(C)C ZINC000927865301 656846492 /nfs/dbraw/zinc/84/64/92/656846492.db2.gz PEMFHTIOENNNFT-UHFFFAOYSA-N 1 0 384.893 1.592 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000927882269 656849606 /nfs/dbraw/zinc/84/96/06/656849606.db2.gz MUEHIVQFDCQZSW-AWEZNQCLSA-N 1 0 379.766 1.610 20 0 GDADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC(CO)(CO)CC1 ZINC000879971667 656850350 /nfs/dbraw/zinc/85/03/50/656850350.db2.gz CECCWXFVNUMLIE-HNNXBMFYSA-N 1 0 383.286 1.769 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879992617 656852184 /nfs/dbraw/zinc/85/21/84/656852184.db2.gz LDSZZQZHNGVEKK-CYBMUJFWSA-N 1 0 381.274 1.592 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)ncc1Br ZINC000927927327 656854750 /nfs/dbraw/zinc/85/47/50/656854750.db2.gz KKOINYZWMBYKAF-MRXNPFEDSA-N 1 0 381.274 1.836 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000927926684 656854777 /nfs/dbraw/zinc/85/47/77/656854777.db2.gz HOPKSXDJOFKHGU-JGVFFNPUSA-N 1 0 375.654 1.680 20 0 GDADRO Cn1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Br)n1 ZINC000880060832 656862769 /nfs/dbraw/zinc/86/27/69/656862769.db2.gz YTNIRWZKFBNVIG-LBPRGKRZSA-N 1 0 386.294 1.759 20 0 GDADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)COc1ccc(Br)cc1 ZINC000880068785 656865616 /nfs/dbraw/zinc/86/56/16/656865616.db2.gz JLXFEVWPAOOQMW-XHSDSOJGSA-N 1 0 385.302 1.330 20 0 GDADRO O=C(Cc1csc(N2CCOCC2)n1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928086619 656868580 /nfs/dbraw/zinc/86/85/80/656868580.db2.gz QAPBZZMTQIDTOR-LSDHHAIUSA-N 1 0 382.555 1.218 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928095540 656871453 /nfs/dbraw/zinc/87/14/53/656871453.db2.gz SZIFPMQPUIIFJF-STQMWFEESA-N 1 0 386.315 1.307 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc(S(N)(=O)=O)c1C ZINC000928096596 656872114 /nfs/dbraw/zinc/87/21/14/656872114.db2.gz NJAIPEHOCCQSFA-LSDHHAIUSA-N 1 0 383.539 1.260 20 0 GDADRO O=C(CN1C(=S)N=NC1c1cccs1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928099266 656872881 /nfs/dbraw/zinc/87/28/81/656872881.db2.gz SRKIAGZRJZRXJC-NEPJUHHUSA-N 1 0 395.579 1.991 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000880665696 656903947 /nfs/dbraw/zinc/90/39/47/656903947.db2.gz OXMRFFFKOMEGOM-VKALNGJKSA-N 1 0 375.535 1.247 20 0 GDADRO C[C@H]1[C@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000928457797 656904541 /nfs/dbraw/zinc/90/45/41/656904541.db2.gz VSZWWSURLAQYNI-JOYOIKCWSA-N 1 0 380.297 1.481 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)C[C@H]1[NH+](C)C ZINC000881118504 656920259 /nfs/dbraw/zinc/92/02/59/656920259.db2.gz YOKDELXHZSVOHY-MNOVXSKESA-N 1 0 390.556 1.123 20 0 GDADRO CCN1C[C@@H](Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)OC1=O ZINC000881359729 656930953 /nfs/dbraw/zinc/93/09/53/656930953.db2.gz ZJOAUSNNCNXWDE-JSGCOSHPSA-N 1 0 380.246 1.929 20 0 GDADRO C[NH+]1CCN(Cc2cn(C[C@H](O)c3cccc(Br)c3)nn2)CC1 ZINC000881406265 656933762 /nfs/dbraw/zinc/93/37/62/656933762.db2.gz HUGZKLDRTIIVFW-INIZCTEOSA-N 1 0 380.290 1.522 20 0 GDADRO [NH3+]Cc1cnn(Cc2cn(C[C@H](O)c3ccc(F)c(Br)c3)nn2)c1 ZINC000881416847 656934442 /nfs/dbraw/zinc/93/44/42/656934442.db2.gz DEEIAJHRVUQSGB-HNNXBMFYSA-N 1 0 395.236 1.617 20 0 GDADRO C[N@H+](C[C@H](O)Cn1cc(COc2ccc(Br)nc2)nn1)C1CC1 ZINC000881419475 656935503 /nfs/dbraw/zinc/93/55/03/656935503.db2.gz BZAXVPMBJMWZKI-ZDUSSCGKSA-N 1 0 382.262 1.470 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cs1)C(N)=O ZINC000881466035 656939523 /nfs/dbraw/zinc/93/95/23/656939523.db2.gz MWUZBPQYEJXPOH-IHRRRGAJSA-N 1 0 382.555 1.737 20 0 GDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000928946416 656943983 /nfs/dbraw/zinc/94/39/83/656943983.db2.gz SSJLNDDCZYHGII-LSDHHAIUSA-N 1 0 394.317 1.683 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000881784854 656957942 /nfs/dbraw/zinc/95/79/42/656957942.db2.gz ONBXUMHDKOGMNO-LFPIHBKWSA-N 1 0 386.543 1.309 20 0 GDADRO CN(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000881788224 656958790 /nfs/dbraw/zinc/95/87/90/656958790.db2.gz RCTUAYRRCXOCEH-HSZRJFAPSA-N 1 0 380.580 1.394 20 0 GDADRO Brc1nnc2ccc(NC3CC[NH+](C[C@H]4CCCO4)CC3)nn12 ZINC000881805334 656963171 /nfs/dbraw/zinc/96/31/71/656963171.db2.gz JNEWVRTWRTYZSI-GFCCVEGCSA-N 1 0 381.278 1.942 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000929473383 656968675 /nfs/dbraw/zinc/96/86/75/656968675.db2.gz ZQDGFJLSMAMXAS-ZNMIVQPWSA-N 1 0 375.535 1.693 20 0 GDADRO O=C(c1ccc(Br)[nH]c1=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000929523238 656970639 /nfs/dbraw/zinc/97/06/39/656970639.db2.gz IOUVBLRJSHUEKA-UHFFFAOYSA-N 1 0 383.290 1.403 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CC[S@](=O)C(F)(F)F)CC1 ZINC000929682768 656979434 /nfs/dbraw/zinc/97/94/34/656979434.db2.gz KBSIJQZGFKFOOV-VWLOTQADSA-N 1 0 385.496 1.671 20 0 GDADRO C[N@H+](CC1CN(S(C)(=O)=O)C1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000929793572 656985074 /nfs/dbraw/zinc/98/50/74/656985074.db2.gz XJRQNLJNKQZSEB-UHFFFAOYSA-N 1 0 375.535 1.646 20 0 GDADRO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000929835542 656987350 /nfs/dbraw/zinc/98/73/50/656987350.db2.gz SBEPMLPWCCRRTC-ZDUSSCGKSA-N 1 0 381.464 1.873 20 0 GDADRO CON1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000929886697 656989494 /nfs/dbraw/zinc/98/94/94/656989494.db2.gz PJCVMIBLAPKIHS-DGCLKSJQSA-N 1 0 397.273 1.657 20 0 GDADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC000930032229 656996893 /nfs/dbraw/zinc/99/68/93/656996893.db2.gz OUFWZSJVLFZGFH-UKRRQHHQSA-N 1 0 375.535 1.503 20 0 GDADRO CC(C)(C)OC(=O)N(CCC[NH+]1CCC(CS(N)(=O)=O)CC1)C1CC1 ZINC000930119890 657001255 /nfs/dbraw/zinc/00/12/55/657001255.db2.gz YVACUIROQURCFT-UHFFFAOYSA-N 1 0 375.535 1.777 20 0 GDADRO C[C@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C(C)(C)C[NH+](C)C ZINC000881981542 657011264 /nfs/dbraw/zinc/01/12/64/657011264.db2.gz YZDDPRRFQJPPTL-LFPIHBKWSA-N 1 0 390.575 1.801 20 0 GDADRO C[C@H](CO)[N@H+](C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)CC1CCC1 ZINC000930293295 657012705 /nfs/dbraw/zinc/01/27/05/657012705.db2.gz QCDASKOVNOYXMF-GDBMZVCRSA-N 1 0 376.563 1.471 20 0 GDADRO COC(=O)c1cc(Br)c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1OC ZINC000930297974 657014466 /nfs/dbraw/zinc/01/44/66/657014466.db2.gz JZDCXBZIOKITMU-INIZCTEOSA-N 1 0 385.258 1.942 20 0 GDADRO Brc1nnc2ccc(N3CCC(OCC[NH+]4CCCC4)CC3)nn12 ZINC000882041372 657027165 /nfs/dbraw/zinc/02/71/65/657027165.db2.gz QQSYMQFGMGZGLZ-UHFFFAOYSA-N 1 0 395.305 1.968 20 0 GDADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000930483807 657029560 /nfs/dbraw/zinc/02/95/60/657029560.db2.gz YQIVCBLZSXBUBA-HNNXBMFYSA-N 1 0 375.535 1.647 20 0 GDADRO C[N@H+](C[C@H](O)CNC(=O)OC(C)(C)C)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000930602426 657037982 /nfs/dbraw/zinc/03/79/82/657037982.db2.gz SNWFLOFHMQPBKN-SKDRFNHKSA-N 1 0 380.354 1.752 20 0 GDADRO C[C@H]1CC[N@H+](CC2CN(S(C)(=O)=O)C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000930684325 657042868 /nfs/dbraw/zinc/04/28/68/657042868.db2.gz OWNQKMRMXJHURG-ZFWWWQNUSA-N 1 0 375.535 1.361 20 0 GDADRO Cn1cc(C2=NC[C@H](C[N@H+](C)C[C@H](O)c3cccc(Br)c3)O2)cn1 ZINC000930718044 657044832 /nfs/dbraw/zinc/04/48/32/657044832.db2.gz WOPDOGMFHUXKBB-CVEARBPZSA-N 1 0 393.285 1.993 20 0 GDADRO CCO[C@@H](CNC(=O)Nc1ccncc1I)C[NH+](C)C ZINC000930747609 657046859 /nfs/dbraw/zinc/04/68/59/657046859.db2.gz LZLVJJINSFDQHI-JTQLQIEISA-N 1 0 392.241 1.196 20 0 GDADRO COc1ccc(Br)cc1C1([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000930813616 657051992 /nfs/dbraw/zinc/05/19/92/657051992.db2.gz ASBMTARLIYJOLZ-HNNXBMFYSA-N 1 0 386.286 1.939 20 0 GDADRO C[C@@]1(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCS(=O)(=O)N1 ZINC000931166606 657075449 /nfs/dbraw/zinc/07/54/49/657075449.db2.gz FNIKJRJSVFOWNA-KRWDZBQOSA-N 1 0 385.555 1.548 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CS(N)(=O)=O)c1 ZINC000931229821 657084731 /nfs/dbraw/zinc/08/47/31/657084731.db2.gz FZOFWHPKGKMUKK-KGLIPLIRSA-N 1 0 376.906 1.531 20 0 GDADRO NS(=O)(=O)c1cc(Cl)cc(CN2CC[NH+](CCCCCO)CC2)c1 ZINC000931495237 657103591 /nfs/dbraw/zinc/10/35/91/657103591.db2.gz FNOINDMFGHOBEE-UHFFFAOYSA-N 1 0 375.922 1.268 20 0 GDADRO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cnc1Br ZINC000931515258 657104276 /nfs/dbraw/zinc/10/42/76/657104276.db2.gz CJFKRNBDDQXCOV-CQSZACIVSA-N 1 0 397.317 1.825 20 0 GDADRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cnc1Br ZINC000931582561 657109980 /nfs/dbraw/zinc/10/99/80/657109980.db2.gz CNZSGNYPXQMPEW-GFCCVEGCSA-N 1 0 383.290 1.470 20 0 GDADRO COC1(OC)CC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C[C@@H]1O ZINC000931631847 657112949 /nfs/dbraw/zinc/11/29/49/657112949.db2.gz KIMGBLLLUWCNAJ-ZFWWWQNUSA-N 1 0 380.268 1.789 20 0 GDADRO CC1([NH+]2CCC2)CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000882500518 657135605 /nfs/dbraw/zinc/13/56/05/657135605.db2.gz ZJAFRVJELSFDLC-UHFFFAOYSA-N 1 0 384.274 1.859 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000882501196 657135694 /nfs/dbraw/zinc/13/56/94/657135694.db2.gz MQCNMKIELKHJQE-ZDUSSCGKSA-N 1 0 384.373 1.612 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000882521927 657142229 /nfs/dbraw/zinc/14/22/29/657142229.db2.gz XZHDKAGAZHCNOY-UHFFFAOYSA-N 1 0 391.950 1.355 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000882524479 657143052 /nfs/dbraw/zinc/14/30/52/657143052.db2.gz QQCVUDKAJADMFN-DEOSSOPVSA-N 1 0 388.559 1.005 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000932041458 657146028 /nfs/dbraw/zinc/14/60/28/657146028.db2.gz ABXFUZYDZZWRSN-CQSZACIVSA-N 1 0 398.301 1.912 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cc(Cl)ncc1Cl ZINC000882634906 657168087 /nfs/dbraw/zinc/16/80/87/657168087.db2.gz NEABFDJNGFDTKM-ZDUSSCGKSA-N 1 0 387.311 1.915 20 0 GDADRO Cn1nnc(NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000932275731 657168450 /nfs/dbraw/zinc/16/84/50/657168450.db2.gz SEEFFVZSXAQNIA-UHFFFAOYSA-N 1 0 382.266 1.568 20 0 GDADRO CC(C)[C@@H](CNC(=O)c1cc(=O)[nH]cc1Br)[NH+]1CCN(C)CC1 ZINC000932691941 657210227 /nfs/dbraw/zinc/21/02/27/657210227.db2.gz UNPRNAWBLPICDF-CQSZACIVSA-N 1 0 385.306 1.552 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000932714841 657212636 /nfs/dbraw/zinc/21/26/36/657212636.db2.gz UAWOJTYGEBEIPF-ZDUSSCGKSA-N 1 0 398.349 1.976 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(Br)cnn2c1)C[NH+]1CCN(C)CC1 ZINC000932714565 657212964 /nfs/dbraw/zinc/21/29/64/657212964.db2.gz LERAENSZWRRHLQ-CYBMUJFWSA-N 1 0 394.317 1.710 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000932721693 657213911 /nfs/dbraw/zinc/21/39/11/657213911.db2.gz UUCFRXCYHOBLTH-UHFFFAOYSA-N 1 0 385.306 1.553 20 0 GDADRO C[C@H](CNC(=O)c1ccccc1[S@](=O)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000932723260 657214556 /nfs/dbraw/zinc/21/45/56/657214556.db2.gz NBUPGOKSJPPWGB-YDBLSZJJSA-N 1 0 377.432 1.680 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2ccc3c(Br)cnn3c2)CCOCC1 ZINC000932825565 657225779 /nfs/dbraw/zinc/22/57/79/657225779.db2.gz YHAKNHFKUGECFR-UHFFFAOYSA-N 1 0 381.274 1.937 20 0 GDADRO NS(=O)(=O)C[C@@H]1CC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000932948502 657233797 /nfs/dbraw/zinc/23/37/97/657233797.db2.gz HTKQDXDGXSDYLT-SNVBAGLBSA-N 1 0 381.267 1.577 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000932951895 657235046 /nfs/dbraw/zinc/23/50/46/657235046.db2.gz SEOXFSHKRYSYCM-HNNXBMFYSA-N 1 0 375.535 1.634 20 0 GDADRO NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000932959144 657239611 /nfs/dbraw/zinc/23/96/11/657239611.db2.gz VVDGLDIUXWUJSW-MNOVXSKESA-N 1 0 383.297 1.344 20 0 GDADRO COc1ncc(NC(=O)NCC[NH+]2CCC(O)CC2)c(C)c1Br ZINC000932962597 657240845 /nfs/dbraw/zinc/24/08/45/657240845.db2.gz NDTYNOQVDZTTCW-UHFFFAOYSA-N 1 0 387.278 1.739 20 0 GDADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000933038532 657248858 /nfs/dbraw/zinc/24/88/58/657248858.db2.gz FMIFSSGKFANVNH-ABAIWWIYSA-N 1 0 389.279 1.618 20 0 GDADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000933044379 657249381 /nfs/dbraw/zinc/24/93/81/657249381.db2.gz YNPAYVXFMYIOFQ-DZGCQCFKSA-N 1 0 399.285 1.074 20 0 GDADRO CCS(=O)(=O)NCC[N@@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC000933044409 657249587 /nfs/dbraw/zinc/24/95/87/657249587.db2.gz VUFOFMNZWNPPIU-QGZVFWFLSA-N 1 0 375.535 1.791 20 0 GDADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cc(Br)no2)CC1 ZINC000883141198 657274921 /nfs/dbraw/zinc/27/49/21/657274921.db2.gz SMWJTPADSFFMFX-UHFFFAOYSA-N 1 0 385.262 1.383 20 0 GDADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCCOC1 ZINC000883179924 657276492 /nfs/dbraw/zinc/27/64/92/657276492.db2.gz NURXSEGCMKMDOG-BBRMVZONSA-N 1 0 376.906 1.650 20 0 GDADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)[C@@H]1CCCOC1 ZINC000883207921 657277916 /nfs/dbraw/zinc/27/79/16/657277916.db2.gz VQNJUUJHFXJDMU-CABCVRRESA-N 1 0 376.544 1.674 20 0 GDADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc2n1CCOC2 ZINC000933438879 657280991 /nfs/dbraw/zinc/28/09/91/657280991.db2.gz HIMLDIBWESWOOD-MRXNPFEDSA-N 1 0 381.274 1.654 20 0 GDADRO C[C@H]([NH2+]CCN(C)CCOCCO)c1ccccc1I ZINC000883348314 657282802 /nfs/dbraw/zinc/28/28/02/657282802.db2.gz NNHWPSLWLFPWEK-ZDUSSCGKSA-N 1 0 392.281 1.883 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000883474220 657290351 /nfs/dbraw/zinc/29/03/51/657290351.db2.gz GPPVHKZGIWQSJC-SECBINFHSA-N 1 0 395.275 1.591 20 0 GDADRO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CC[NH2+]CCC12CCC2 ZINC000883478286 657290997 /nfs/dbraw/zinc/29/09/97/657290997.db2.gz BAQCEFXZDMPANS-UHFFFAOYSA-N 1 0 379.404 1.929 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc(Br)o1)C2 ZINC000883480433 657291623 /nfs/dbraw/zinc/29/16/23/657291623.db2.gz CFKWTVFHPPGRDV-UHFFFAOYSA-N 1 0 378.273 1.704 20 0 GDADRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c(Br)c1 ZINC000933697587 657297388 /nfs/dbraw/zinc/29/73/88/657297388.db2.gz WUJFYWUBADZZPZ-PWSUYJOCSA-N 1 0 377.304 1.814 20 0 GDADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1CS(N)(=O)=O ZINC000933702091 657299371 /nfs/dbraw/zinc/29/93/71/657299371.db2.gz QMHGPQFJJPFXGW-MDZLAQPJSA-N 1 0 397.324 1.590 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000883592399 657299768 /nfs/dbraw/zinc/29/97/68/657299768.db2.gz HAUWPWBBWHSWLH-SECBINFHSA-N 1 0 383.246 1.983 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000883639293 657303157 /nfs/dbraw/zinc/30/31/57/657303157.db2.gz LFEVGBYPWAJWOV-TXEJJXNPSA-N 1 0 386.315 1.822 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cnn(C)c1I ZINC000933734345 657306362 /nfs/dbraw/zinc/30/63/62/657306362.db2.gz RBXSWIYKFPSCBT-VIFPVBQESA-N 1 0 379.246 1.877 20 0 GDADRO CC[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000883893744 657315079 /nfs/dbraw/zinc/31/50/79/657315079.db2.gz QHSOSROHCVTJGG-AWEZNQCLSA-N 1 0 382.306 1.770 20 0 GDADRO CCN(C(=O)Nc1cnn(C)c1I)[C@@H]1CC[N@H+](CC)C1 ZINC000933742067 657315783 /nfs/dbraw/zinc/31/57/83/657315783.db2.gz NHARPRADOZGDPB-SNVBAGLBSA-N 1 0 391.257 1.973 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000884054906 657322226 /nfs/dbraw/zinc/32/22/26/657322226.db2.gz VMBCUPBNWGHRBE-LLVKDONJSA-N 1 0 391.946 1.480 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000933843866 657322545 /nfs/dbraw/zinc/32/25/45/657322545.db2.gz FYSVSSLSRFDOEJ-OAHLLOKOSA-N 1 0 389.265 1.369 20 0 GDADRO [NH3+][C@@H](CC1CC1)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000884112375 657326356 /nfs/dbraw/zinc/32/63/56/657326356.db2.gz KLPXKZIPJNFJDD-HNNXBMFYSA-N 1 0 380.286 1.861 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000884112822 657326543 /nfs/dbraw/zinc/32/65/43/657326543.db2.gz YDXNPKNMHLLTGZ-OAHLLOKOSA-N 1 0 394.313 1.979 20 0 GDADRO Cn1cc([C@H]2CSCCC[N@@H+]2CCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000933976191 657328869 /nfs/dbraw/zinc/32/88/69/657328869.db2.gz NIMHHEBJZCFXRA-QGZVFWFLSA-N 1 0 380.539 1.790 20 0 GDADRO CN1CCN(CC(=O)Nc2ccc(Br)cc2F)CC[N@H+](C)CC1 ZINC000933996200 657331847 /nfs/dbraw/zinc/33/18/47/657331847.db2.gz SARXEZIKCUPCDT-UHFFFAOYSA-N 1 0 387.297 1.706 20 0 GDADRO Cn1cnnc1C1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884287836 657342897 /nfs/dbraw/zinc/34/28/97/657342897.db2.gz NETOAGGUYWOHEA-AWEZNQCLSA-N 1 0 378.274 1.984 20 0 GDADRO CCOC(=O)CN1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884307265 657344475 /nfs/dbraw/zinc/34/44/75/657344475.db2.gz DZSHMWRQIPZQQC-INIZCTEOSA-N 1 0 398.301 1.546 20 0 GDADRO C[C@](Cn1cccn1)([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C(N)=O ZINC000934221310 657345014 /nfs/dbraw/zinc/34/50/14/657345014.db2.gz MADZCIVIMBAPDR-DZGCQCFKSA-N 1 0 385.237 1.352 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000884341271 657348748 /nfs/dbraw/zinc/34/87/48/657348748.db2.gz VUJXHMWQGJBRIU-XJKSGUPXSA-N 1 0 385.306 1.470 20 0 GDADRO C[N@H+](CCNC(=O)Nc1c(Br)cnn1C1CC1)CCOCCO ZINC000934365320 657355943 /nfs/dbraw/zinc/35/59/43/657355943.db2.gz GETQLUNJQKFRCG-UHFFFAOYSA-N 1 0 390.282 1.043 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cs1)C(N)=O ZINC000884443964 657357687 /nfs/dbraw/zinc/35/76/87/657357687.db2.gz VAMQCTVBXXNXRH-JLZZUVOBSA-N 1 0 382.555 1.500 20 0 GDADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCC[S@](=O)CC(F)(F)F ZINC000884461596 657358725 /nfs/dbraw/zinc/35/87/25/657358725.db2.gz JFHPPUJKADAOMX-VDBVYFBLSA-N 1 0 378.420 1.613 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cs1)C(N)=O ZINC000884462789 657359028 /nfs/dbraw/zinc/35/90/28/657359028.db2.gz OOOVODIAJCZPQH-DGCLKSJQSA-N 1 0 384.571 1.936 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884494226 657360858 /nfs/dbraw/zinc/36/08/58/657360858.db2.gz NPIAXGLYRIMWBT-RISCZKNCSA-N 1 0 398.301 1.455 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000884509957 657361845 /nfs/dbraw/zinc/36/18/45/657361845.db2.gz VKBSPRCGPHEEBB-GWCFXTLKSA-N 1 0 386.265 1.585 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000884512156 657362211 /nfs/dbraw/zinc/36/22/11/657362211.db2.gz ZEINTFSXPUPKMT-NWDGAFQWSA-N 1 0 382.302 1.791 20 0 GDADRO Cn1cc(C2=NC[C@H](C[NH2+][C@](C)(CO)c3cccc(Br)c3)O2)cn1 ZINC000934493756 657362673 /nfs/dbraw/zinc/36/26/73/657362673.db2.gz DYXJBRNTUJAKQA-NVXWUHKLSA-N 1 0 393.285 1.825 20 0 GDADRO COc1ccc(Cl)cc1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884524110 657362751 /nfs/dbraw/zinc/36/27/51/657362751.db2.gz OXQADKFKHBVXHE-LLVKDONJSA-N 1 0 375.803 1.326 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)Oc1cccc(Br)c1 ZINC000884621720 657367408 /nfs/dbraw/zinc/36/74/08/657367408.db2.gz QRJDBLDOOHFCDI-NQBHXWOUSA-N 1 0 384.274 1.281 20 0 GDADRO CCN(C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC)[C@H]1CC[NH2+]C1 ZINC000884660308 657369312 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378.782 1.484 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)CC[NH2+]1 ZINC000884717661 657375097 /nfs/dbraw/zinc/37/50/97/657375097.db2.gz ICYYBKNZTVHUGD-VHSXEESVSA-N 1 0 375.803 1.814 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000884720005 657375260 /nfs/dbraw/zinc/37/52/60/657375260.db2.gz DMLNGECAXJCUAI-CABZTGNLSA-N 1 0 375.803 1.672 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884959267 657390884 /nfs/dbraw/zinc/39/08/84/657390884.db2.gz KMMMROCCJZZQSI-UWVGGRQHSA-N 1 0 380.333 1.952 20 0 GDADRO O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884976771 657395098 /nfs/dbraw/zinc/39/50/98/657395098.db2.gz ACEGIVMZZDFBKX-MFKMUULPSA-N 1 0 375.778 1.795 20 0 GDADRO C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc(I)cc1 ZINC000935053204 657396317 /nfs/dbraw/zinc/39/63/17/657396317.db2.gz YRGRIWNYDLJIBH-ABAIWWIYSA-N 1 0 390.265 1.824 20 0 GDADRO Cn1ccnc1[C@H]1CCN(C(=O)c2cc(Br)cn3ncnc23)C1 ZINC000935091506 657399920 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GDADRO O=C(c1cc(Br)cn2ccnc12)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889741735 658024579 /nfs/dbraw/zinc/02/45/79/658024579.db2.gz FLQORHACMZGYAO-GJZGRUSLSA-N 1 0 393.285 1.768 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Br ZINC000889761452 658033134 /nfs/dbraw/zinc/03/31/34/658033134.db2.gz KVGPCXDAKFWIFW-KBPBESRZSA-N 1 0 384.274 1.529 20 0 GDADRO O=C(Cc1ccc(Br)cc1O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889757114 658033273 /nfs/dbraw/zinc/03/32/73/658033273.db2.gz QYXOQGGBZLECGH-HUUCEWRRSA-N 1 0 383.286 1.755 20 0 GDADRO O=C(c1cnn2cc(Br)cnc12)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889764567 658034604 /nfs/dbraw/zinc/03/46/04/658034604.db2.gz XVDASVGJXMUOQT-KGLIPLIRSA-N 1 0 394.273 1.163 20 0 GDADRO O=C(COc1cccc(Br)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889780094 658036930 /nfs/dbraw/zinc/03/69/30/658036930.db2.gz IAVPVKRBRQFNCW-HOTGVXAUSA-N 1 0 383.286 1.886 20 0 GDADRO Cn1ncc(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1I ZINC000889824241 658059850 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COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)C1(Br)CC1)CCS2(=O)=O ZINC000903452770 659316100 /nfs/dbraw/zinc/31/61/00/659316100.db2.gz QMBCOIRDZBKBOE-KTEZZQQRSA-N 1 0 394.331 1.791 20 0 GDADRO C[NH2+][C@H]1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903509920 659320761 /nfs/dbraw/zinc/32/07/61/659320761.db2.gz DFQBDPITXQPFDW-JTQLQIEISA-N 1 0 377.260 1.301 20 0 GDADRO [NH3+]CC1(NS(=O)(=O)c2c[nH]c3cc(Br)ccc32)CCOCC1 ZINC000903511621 659321737 /nfs/dbraw/zinc/32/17/37/659321737.db2.gz CFJBWGHMNOVFLG-UHFFFAOYSA-N 1 0 388.287 1.717 20 0 GDADRO C[NH2+]C1CCN(S(=O)(=O)c2c(Br)ccc(OC)c2F)CC1 ZINC000903513095 659322532 /nfs/dbraw/zinc/32/25/32/659322532.db2.gz QVXWACGIRUIQNJ-UHFFFAOYSA-N 1 0 381.267 1.969 20 0 GDADRO [NH3+][C@@H]1CN(CC(=O)N2CCN(Cc3cccs3)CC2)C[C@H]1C(F)(F)F ZINC000903514823 659323789 /nfs/dbraw/zinc/32/37/89/659323789.db2.gz VZIQAPHXLIHLMN-ZIAGYGMSSA-N 1 0 376.448 1.214 20 0 GDADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903517097 659324090 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COC(=O)c1c(Cl)cccc1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903538965 659333286 /nfs/dbraw/zinc/33/32/86/659333286.db2.gz YMXBFKPURXMECY-UHFFFAOYSA-N 1 0 376.862 1.255 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000903541487 659334263 /nfs/dbraw/zinc/33/42/63/659334263.db2.gz OOPKZHWLSXYSTE-UHFFFAOYSA-N 1 0 376.891 1.473 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000903541676 659334316 /nfs/dbraw/zinc/33/43/16/659334316.db2.gz AESNCIQSHSTICI-UHFFFAOYSA-N 1 0 376.862 1.240 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cscc1Br ZINC000903544365 659335199 /nfs/dbraw/zinc/33/51/99/659335199.db2.gz OEAQILDWQQLZEB-JTQLQIEISA-N 1 0 395.344 1.948 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Br)o1 ZINC000903545138 659335698 /nfs/dbraw/zinc/33/56/98/659335698.db2.gz ZPRVLGSZVUKWBE-SNVBAGLBSA-N 1 0 379.276 1.479 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544609 659335841 /nfs/dbraw/zinc/33/58/41/659335841.db2.gz AVHYYZKKZBWZGU-GFCCVEGCSA-N 1 0 388.511 1.280 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Br)c1 ZINC000903545421 659336255 /nfs/dbraw/zinc/33/62/55/659336255.db2.gz RDDPDRTZNALVRT-CYBMUJFWSA-N 1 0 389.315 1.886 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c(Br)n1 ZINC000903545976 659336257 /nfs/dbraw/zinc/33/62/57/659336257.db2.gz DIXUWEBIANGWKC-LBPRGKRZSA-N 1 0 391.335 1.855 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC2(C)C)cc1Br ZINC000903554067 659339402 /nfs/dbraw/zinc/33/94/02/659339402.db2.gz LWNNUZFDBATTRQ-ZDUSSCGKSA-N 1 0 390.303 1.684 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1Br ZINC000903554066 659339509 /nfs/dbraw/zinc/33/95/09/659339509.db2.gz LWNNUZFDBATTRQ-CYBMUJFWSA-N 1 0 390.303 1.684 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NCCN2CCC([NH3+])CC2)cc1Cl ZINC000903565624 659343063 /nfs/dbraw/zinc/34/30/63/659343063.db2.gz OHLFYNHDMPOFJX-UHFFFAOYSA-N 1 0 377.894 1.059 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)c1 ZINC000903570780 659344785 /nfs/dbraw/zinc/34/47/85/659344785.db2.gz CADBFTQAZDOSJQ-JLIMDTESSA-N 1 0 377.260 1.251 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)c(Br)c1 ZINC000903571271 659345193 /nfs/dbraw/zinc/34/51/93/659345193.db2.gz VFGAZVBSINERSM-CZMCAQCFSA-N 1 0 377.260 1.251 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cn1C ZINC000903578198 659349175 /nfs/dbraw/zinc/34/91/75/659349175.db2.gz CWEKUUCUTSOEQR-GHMZBOCLSA-N 1 0 383.392 1.102 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC[C@H]1C(F)(F)F ZINC000903578630 659349512 /nfs/dbraw/zinc/34/95/12/659349512.db2.gz JAAMGLORCFJGJW-VXGBXAGGSA-N 1 0 376.356 1.693 20 0 GDADRO COC(=O)c1cc(C)ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903579763 659350513 /nfs/dbraw/zinc/35/05/13/659350513.db2.gz QJAMATDTYSSXKV-NEPJUHHUSA-N 1 0 380.388 1.682 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1OC ZINC000903580000 659350760 /nfs/dbraw/zinc/35/07/60/659350760.db2.gz ROUTUYCXUUHWCF-PSASIEDQSA-N 1 0 386.367 1.743 20 0 GDADRO COC(=O)c1cc(F)ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903580042 659350786 /nfs/dbraw/zinc/35/07/86/659350786.db2.gz RUUUOXSQEPCEMF-WDEREUQCSA-N 1 0 384.351 1.513 20 0 GDADRO CNC(=O)c1ccc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903580678 659351465 /nfs/dbraw/zinc/35/14/65/659351465.db2.gz XLJGGHCFXKAGLE-STQMWFEESA-N 1 0 379.404 1.088 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC[C@@H]1C(F)(F)F ZINC000903580550 659351491 /nfs/dbraw/zinc/35/14/91/659351491.db2.gz VSFLUTZMNUQJQS-STQMWFEESA-N 1 0 398.428 1.015 20 0 GDADRO COC(=O)c1ccc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903581735 659352249 /nfs/dbraw/zinc/35/22/49/659352249.db2.gz WGUVATSEUDYUED-CHWSQXEVSA-N 1 0 380.388 1.515 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000903584724 659353633 /nfs/dbraw/zinc/35/36/33/659353633.db2.gz QQRPAKYJPPUSOS-GFCCVEGCSA-N 1 0 391.287 1.594 20 0 GDADRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000903587841 659355496 /nfs/dbraw/zinc/35/54/96/659355496.db2.gz CCLMOJDUNMJXEA-MRVPVSSYSA-N 1 0 389.250 1.638 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c(Br)c1 ZINC000903589576 659355934 /nfs/dbraw/zinc/35/59/34/659355934.db2.gz PNJGZWLZAYHQIS-IINYFYTJSA-N 1 0 375.288 1.960 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000903590695 659356306 /nfs/dbraw/zinc/35/63/06/659356306.db2.gz YQAMIMTXHHUNKF-YGRLFVJLSA-N 1 0 380.438 1.185 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CC[NH2+]C)C(C)C)cc1F ZINC000903590473 659356385 /nfs/dbraw/zinc/35/63/85/659356385.db2.gz XPGPMRDVTWIPPV-UHFFFAOYSA-N 1 0 381.495 1.206 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC000903593750 659357600 /nfs/dbraw/zinc/35/76/00/659357600.db2.gz UTBZNGKKMIVZJQ-CQSZACIVSA-N 1 0 388.287 1.065 20 0 GDADRO CN(C)[S@](C)(=O)=NS(=O)(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000903606054 659361263 /nfs/dbraw/zinc/36/12/63/659361263.db2.gz GOIBLZDGNSEPCT-XMMPIXPASA-N 1 0 387.531 1.434 20 0 GDADRO CCS[C@@H]1CCCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903741065 659378545 /nfs/dbraw/zinc/37/85/45/659378545.db2.gz ACVVZJYXZOHCCR-AGIUHOORSA-N 1 0 381.464 1.859 20 0 GDADRO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H]1c1cncc(Br)c1 ZINC000903800609 659381515 /nfs/dbraw/zinc/38/15/15/659381515.db2.gz JHXJKCUDQOQJRY-ZNMIVQPWSA-N 1 0 393.285 1.470 20 0 GDADRO FC(F)(F)c1nc(Br)c2n1CCN(C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000903832958 659382870 /nfs/dbraw/zinc/38/28/70/659382870.db2.gz UJQXODNVOTWEFT-SECBINFHSA-N 1 0 395.223 1.859 20 0 GDADRO O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]21 ZINC000903870843 659386054 /nfs/dbraw/zinc/38/60/54/659386054.db2.gz LKQNWAVNWVAJFR-KBUPBQIOSA-N 1 0 382.448 1.197 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000903877417 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385.453 1.227 20 0 GDADRO COC1CC(C(=O)N2CCC(C)(Nc3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571263742 945464908 /nfs/dbraw/zinc/46/49/08/945464908.db2.gz ADLVLDSTRRHASV-UHFFFAOYSA-N 1 0 385.472 1.210 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571263780 945467962 /nfs/dbraw/zinc/46/79/62/945467962.db2.gz AUYLPJRTDAPNFX-CPUCHLNUSA-N 1 0 385.472 1.470 20 0 GDADRO CC1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC001571264167 945477442 /nfs/dbraw/zinc/47/74/42/945477442.db2.gz HRZQKADWLMIBNJ-LIRRHRJNSA-N 1 0 385.472 1.206 20 0 GDADRO CCO[C@H]1C[C@H]1C(=O)N1CCC(CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571264275 945479955 /nfs/dbraw/zinc/47/99/55/945479955.db2.gz KETIAKVFMXPIQD-PBHICJAKSA-N 1 0 385.472 1.149 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)CC2CCOCC2)CC1 ZINC001571264502 945486406 /nfs/dbraw/zinc/48/64/06/945486406.db2.gz QEYJISQTWDUOPN-UHFFFAOYSA-N 1 0 385.472 1.293 20 0 GDADRO 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1.757 20 0 GDADRO O=C(Cc1cccnc1)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571294315 946131558 /nfs/dbraw/zinc/13/15/58/946131558.db2.gz FGXDBSLLNPZGLF-UHFFFAOYSA-N 1 0 389.463 1.539 20 0 GDADRO O=C(c1ncc(Cl)s1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571295300 946159134 /nfs/dbraw/zinc/15/91/34/946159134.db2.gz XDSZRDBKAGJNOP-LLVKDONJSA-N 1 0 389.872 1.981 20 0 GDADRO O=C(NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1Cc2cccnc2C1 ZINC001571295520 946166112 /nfs/dbraw/zinc/16/61/12/946166112.db2.gz WKYYDIZYRHGNKV-KRWDZBQOSA-N 1 0 389.463 1.225 20 0 GDADRO O=C([C@H]1COc2ccccc21)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571295755 946174335 /nfs/dbraw/zinc/17/43/35/946174335.db2.gz FBYXLKHJRRRMMM-WMZOPIPTSA-N 1 0 390.447 1.733 20 0 GDADRO O=C(c1cncnc1)N1CC2(C1)CCC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571298015 946204125 /nfs/dbraw/zinc/20/41/25/946204125.db2.gz HERSXLIXOYJUDG-UHFFFAOYSA-N 1 0 390.451 1.395 20 0 GDADRO NC(=O)C1(c2ccccc2)CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822860637 946204725 /nfs/dbraw/zinc/20/47/25/946204725.db2.gz ZYZPOSBRCLXNIM-GOSISDBHSA-N 1 0 392.463 1.419 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1=COCCO1 ZINC001571298433 946216552 /nfs/dbraw/zinc/21/65/52/946216552.db2.gz NUCMGAXZMNJUQK-NEPJUHHUSA-N 1 0 390.469 1.333 20 0 GDADRO Cc1cc(N2CC[C@]3(NC(=O)c4cccnc4)CCC[C@H]23)c(-c2nn[nH]n2)c[nH+]1 ZINC001571298852 946229379 /nfs/dbraw/zinc/22/93/79/946229379.db2.gz LAOXQZHWOVCMCR-FXAWDEMLSA-N 1 0 390.451 1.897 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001571298812 946230433 /nfs/dbraw/zinc/23/04/33/946230433.db2.gz DUTKUITWAPHWGO-BXUZGUMPSA-N 1 0 390.879 1.270 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001571299678 946259175 /nfs/dbraw/zinc/25/91/75/946259175.db2.gz OLIDTLXGUDWPCD-OAHLLOKOSA-N 1 0 390.513 1.920 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cncnc1C1CC1 ZINC001571299711 946260050 /nfs/dbraw/zinc/26/00/50/946260050.db2.gz ZKHZZTWQXVXWSA-MRXNPFEDSA-N 1 0 390.451 1.538 20 0 GDADRO O=C(C[C@H]1CCCCO1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299747 946261394 /nfs/dbraw/zinc/26/13/94/946261394.db2.gz PDTJBOZFRCYEML-ZIAGYGMSSA-N 1 0 390.513 1.826 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)nn1 ZINC001571299770 946262809 /nfs/dbraw/zinc/26/28/09/946262809.db2.gz UIVDBUJHIWBTFQ-MAUKXSAKSA-N 1 0 390.451 1.312 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)COC1CCCC1 ZINC001571299872 946263842 /nfs/dbraw/zinc/26/38/42/946263842.db2.gz PZBCABSCENYPIW-STQMWFEESA-N 1 0 390.513 1.966 20 0 GDADRO Cc1nsc(N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)c1-c1nn[nH]n1 ZINC001571299875 946265304 /nfs/dbraw/zinc/26/53/04/946265304.db2.gz QBEQLKIEIYOFCW-ZDUSSCGKSA-N 1 0 390.517 1.520 20 0 GDADRO Cc1cccc(-c2nn[nH]n2)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001571300141 946272606 /nfs/dbraw/zinc/27/26/06/946272606.db2.gz VSUBJRNQLKIZGZ-CQSZACIVSA-N 1 0 390.513 1.860 20 0 GDADRO Cc1nsc(N[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC001571300319 946280605 /nfs/dbraw/zinc/28/06/05/946280605.db2.gz ZOIGCGVBNVPCKR-CYBMUJFWSA-N 1 0 390.517 1.376 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc43)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571302933 946318472 /nfs/dbraw/zinc/31/84/72/946318472.db2.gz DSKRYSYDRCYBHF-CZUORRHYSA-N 1 0 391.435 1.181 20 0 GDADRO Cc1cc(N2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571303892 946350544 /nfs/dbraw/zinc/35/05/44/946350544.db2.gz SCLSPRNLUNJRPX-SFHVURJKSA-N 1 0 391.435 1.222 20 0 GDADRO Cc1cncc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)[C@H]2C)c1 ZINC001571306667 946407262 /nfs/dbraw/zinc/40/72/62/946407262.db2.gz MZEXOBNEPYNKOV-DNVCBOLYSA-N 1 0 391.479 1.892 20 0 GDADRO Cc1cccc(CCC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001571307083 946416523 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QLXVVKBUGFQEDB-BBRMVZONSA-N 1 0 392.467 1.402 20 0 GDADRO CC(=O)N1CCC(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823972633 946529589 /nfs/dbraw/zinc/52/95/89/946529589.db2.gz DEWCCXHSLKLSJE-UHFFFAOYSA-N 1 0 394.483 1.615 20 0 GDADRO CC(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823994891 946536055 /nfs/dbraw/zinc/53/60/55/946536055.db2.gz RIAJHEYDWYOCMT-QAPCUYQASA-N 1 0 397.483 1.210 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC001571314730 946541818 /nfs/dbraw/zinc/54/18/18/946541818.db2.gz BJTXZHZCBKQGMK-MRXNPFEDSA-N 1 0 392.467 1.559 20 0 GDADRO Cc1cc(C)nc(C(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571314759 946545840 /nfs/dbraw/zinc/54/58/40/946545840.db2.gz CFUCZYIPXJWSDX-HNNXBMFYSA-N 1 0 392.467 1.920 20 0 GDADRO Cc1cc(C)c(C(=O)NC[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nn[nH]n4)C[C@H]32)[nH]1 ZINC001571316072 946563948 /nfs/dbraw/zinc/56/39/48/946563948.db2.gz SZGMXNBVYYAPJZ-MKZZRHPPSA-N 1 0 392.467 1.627 20 0 GDADRO Cc1cc(C(=O)N2CCC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)ncn1 ZINC001571316226 946569723 /nfs/dbraw/zinc/56/97/23/946569723.db2.gz WTNYGZIPGSYOLK-UHFFFAOYSA-N 1 0 392.467 1.607 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2(C)C)cnn1 ZINC001571316314 946570694 /nfs/dbraw/zinc/57/06/94/946570694.db2.gz ZHEPWSGZQHFDNS-QGZVFWFLSA-N 1 0 392.467 1.606 20 0 GDADRO Cc1ncncc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571316503 946578464 /nfs/dbraw/zinc/57/84/64/946578464.db2.gz DTBHEOZTRXEYNM-QGZVFWFLSA-N 1 0 392.467 1.750 20 0 GDADRO Cc1ncncc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC001571316525 946579493 /nfs/dbraw/zinc/57/94/93/946579493.db2.gz FQEAUHJBHHGMMC-CXAGYDPISA-N 1 0 392.467 1.463 20 0 GDADRO Cn1ncc(C2CC2)c1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316698 946584453 /nfs/dbraw/zinc/58/44/53/946584453.db2.gz KDWQTKWZXVKWRD-INIZCTEOSA-N 1 0 392.467 1.482 20 0 GDADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C23CCC3)cn1 ZINC001571316776 946586223 /nfs/dbraw/zinc/58/62/23/946586223.db2.gz MJKNWXMNPCBUMF-SJORKVTESA-N 1 0 392.467 1.431 20 0 GDADRO Cc1ncccc1C[NH+]1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CC2 ZINC001571316746 946586403 /nfs/dbraw/zinc/58/64/03/946586403.db2.gz LKVNTKKPAZPYDB-UHFFFAOYSA-N 1 0 392.467 1.636 20 0 GDADRO Cc1cnccc1CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001571317082 946598641 /nfs/dbraw/zinc/59/86/41/946598641.db2.gz VBLFAPDYOGBZPH-GOEBONIOSA-N 1 0 392.467 1.421 20 0 GDADRO Cc1cn(C)nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571317257 946603992 /nfs/dbraw/zinc/60/39/92/946603992.db2.gz ZLSZEPAHHPMRCS-OIISXLGYSA-N 1 0 392.467 1.444 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1n[nH]c2c1CCCC2 ZINC001571317264 946604519 /nfs/dbraw/zinc/60/45/19/946604519.db2.gz ZSXRHVMYMFHISH-CQSZACIVSA-N 1 0 392.467 1.473 20 0 GDADRO Cc1cnc(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)c(C)c1 ZINC001571317250 946604867 /nfs/dbraw/zinc/60/48/67/946604867.db2.gz ZFVCXJMACYQMQV-OAHLLOKOSA-N 1 0 392.467 1.721 20 0 GDADRO O=C(c1c[nH]nc1C1CC1)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571317322 946606419 /nfs/dbraw/zinc/60/64/19/946606419.db2.gz COQNWNDXJCIMKJ-ZDUSSCGKSA-N 1 0 392.467 1.719 20 0 GDADRO CO[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](C)C1)C(C)C ZINC001571317307 946606835 /nfs/dbraw/zinc/60/68/35/946606835.db2.gz BTKBNBJMMYTKEM-IOASZLSFSA-N 1 0 392.529 1.783 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC001571317827 946621216 /nfs/dbraw/zinc/62/12/16/946621216.db2.gz WNADWULZDDMXMN-SECBINFHSA-N 1 0 392.876 1.699 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824413443 946695565 /nfs/dbraw/zinc/69/55/65/946695565.db2.gz LRICPPJUSBICPJ-AWEZNQCLSA-N 1 0 393.451 1.442 20 0 GDADRO CC(=O)N[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573540635 946780685 /nfs/dbraw/zinc/78/06/85/946780685.db2.gz ITKVAMJMZHSWPN-BLLLJJGKSA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)Nc1cccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 ZINC001573547219 946828149 /nfs/dbraw/zinc/82/81/49/946828149.db2.gz XSIZEEVOHVAACQ-LLVKDONJSA-N 1 0 382.428 1.061 20 0 GDADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825068702 947065417 /nfs/dbraw/zinc/06/54/17/947065417.db2.gz VNFAFWUSNCMZAJ-STQMWFEESA-N 1 0 382.472 1.660 20 0 GDADRO CC[NH+](CC)[C@H]1CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000825411926 947181790 /nfs/dbraw/zinc/18/17/90/947181790.db2.gz HZFAHQBKDNLKKD-ROUUACIJSA-N 1 0 383.500 1.778 20 0 GDADRO CC[NH+]1CCC(n2nccc2NC(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 ZINC000825452465 947194930 /nfs/dbraw/zinc/19/49/30/947194930.db2.gz OWBWOIUNHDLDIC-UHFFFAOYSA-N 1 0 385.432 1.198 20 0 GDADRO CCN1CCO[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825464917 947197252 /nfs/dbraw/zinc/19/72/52/947197252.db2.gz FETCNIWFIMOUBN-KRWDZBQOSA-N 1 0 382.472 1.078 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825658178 947279211 /nfs/dbraw/zinc/27/92/11/947279211.db2.gz BGVRLARELLPJOT-AWEZNQCLSA-N 1 0 392.529 1.244 20 0 GDADRO C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586911 947297862 /nfs/dbraw/zinc/29/78/62/947297862.db2.gz UMLXFEBMBXVJHC-CABCVRRESA-N 1 0 386.504 1.785 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573591986 947322093 /nfs/dbraw/zinc/32/20/93/947322093.db2.gz HUEXLVDPKBKUTE-PBHICJAKSA-N 1 0 388.516 1.800 20 0 GDADRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573591873 947322884 /nfs/dbraw/zinc/32/28/84/947322884.db2.gz GYUBGYMCIJSSMQ-ZBFHGGJFSA-N 1 0 380.456 1.357 20 0 GDADRO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573591872 947323176 /nfs/dbraw/zinc/32/31/76/947323176.db2.gz GYUBGYMCIJSSMQ-HOCLYGCPSA-N 1 0 380.456 1.357 20 0 GDADRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826104055 947429489 /nfs/dbraw/zinc/42/94/89/947429489.db2.gz OOSMLWUHVPHNPS-CQSZACIVSA-N 1 0 397.435 1.976 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCCC1 ZINC001573598829 947447169 /nfs/dbraw/zinc/44/71/69/947447169.db2.gz SCNLCJIKDYAVMU-YOEHRIQHSA-N 1 0 386.500 1.602 20 0 GDADRO COc1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1-c1nn[nH]n1 ZINC000826193562 947591216 /nfs/dbraw/zinc/59/12/16/947591216.db2.gz HOQFESMIBPQANT-QGZVFWFLSA-N 1 0 383.456 1.554 20 0 GDADRO C[C@H](C(=O)N1CCC(N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573614912 947594901 /nfs/dbraw/zinc/59/49/01/947594901.db2.gz BMRJSDNDWIPAAG-SNVBAGLBSA-N 1 0 383.378 1.887 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573616064 947617362 /nfs/dbraw/zinc/61/73/62/947617362.db2.gz LKHLTXHHLMIDOO-OLZOCXBDSA-N 1 0 386.485 1.324 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573616068 947618000 /nfs/dbraw/zinc/61/80/00/947618000.db2.gz LKHLTXHHLMIDOO-QWHCGFSZSA-N 1 0 386.485 1.324 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573619747 947668940 /nfs/dbraw/zinc/66/89/40/947668940.db2.gz XNKUJYUKPUSORI-RDTXWAMCSA-N 1 0 377.452 1.756 20 0 GDADRO C/C(=C/C(=O)NC[C@@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573363333 947711921 /nfs/dbraw/zinc/71/19/21/947711921.db2.gz NJGDLBNGGFVHOE-VHNWJRSRSA-N 1 0 382.468 1.276 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001573367235 947756258 /nfs/dbraw/zinc/75/62/58/947756258.db2.gz BELIRVGCPCPXMY-IUODEOHRSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573369555 947774288 /nfs/dbraw/zinc/77/42/88/947774288.db2.gz URFNLLZTLMYEKJ-PXAZEXFGSA-N 1 0 388.447 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573373433 947792489 /nfs/dbraw/zinc/79/24/89/947792489.db2.gz IYOSEGNBPLARIQ-INIZCTEOSA-N 1 0 384.484 1.954 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccsc1 ZINC001573637507 947814502 /nfs/dbraw/zinc/81/45/02/947814502.db2.gz GXZGVROYMMXELE-TZMCWYRMSA-N 1 0 383.481 1.952 20 0 GDADRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573638015 947831634 /nfs/dbraw/zinc/83/16/34/947831634.db2.gz YPYBTZSKTBLMKS-MAUKXSAKSA-N 1 0 384.484 1.716 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573376851 947842485 /nfs/dbraw/zinc/84/24/85/947842485.db2.gz ZJUWZCKGSFAIBG-LBPRGKRZSA-N 1 0 376.436 1.702 20 0 GDADRO C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1CC1 ZINC001573644046 947867091 /nfs/dbraw/zinc/86/70/91/947867091.db2.gz XQGRWHDFSIKYQI-BLLLJJGKSA-N 1 0 388.447 1.369 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1(C)C ZINC001573380935 947867214 /nfs/dbraw/zinc/86/72/14/947867214.db2.gz KMTCNPZJYRZRKP-KRWDZBQOSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)NCC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573382113 947883772 /nfs/dbraw/zinc/88/37/72/947883772.db2.gz DXXCVVZVTNREHA-OAHLLOKOSA-N 1 0 385.472 1.662 20 0 GDADRO C[C@@H](C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573652260 947932936 /nfs/dbraw/zinc/93/29/36/947932936.db2.gz BYWYKJOJZFNTKT-ORAYPTAESA-N 1 0 380.456 1.443 20 0 GDADRO C[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccn1 ZINC001573652640 947945336 /nfs/dbraw/zinc/94/53/36/947945336.db2.gz FSNSFLMGOHFDQS-BXUZGUMPSA-N 1 0 386.485 1.370 20 0 GDADRO Cc1nc(CC[N@@H+](C)Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)no1 ZINC000826325361 947949155 /nfs/dbraw/zinc/94/91/55/947949155.db2.gz VEFTXPZUCKALHE-UHFFFAOYSA-N 1 0 379.428 1.633 20 0 GDADRO C[C@@H](C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573654707 947970081 /nfs/dbraw/zinc/97/00/81/947970081.db2.gz SWYOKSZWRAQMRA-XCLFUZPHSA-N 1 0 392.467 1.579 20 0 GDADRO Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[nH]n1 ZINC000826346808 948045710 /nfs/dbraw/zinc/04/57/10/948045710.db2.gz WFLMTTLTKRZINY-CZUORRHYSA-N 1 0 395.467 1.732 20 0 GDADRO C[C@H](C(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573664258 948050605 /nfs/dbraw/zinc/05/06/05/948050605.db2.gz SNMFWWQRFBZYGI-XOBRGWDASA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccc1 ZINC001573677940 948143338 /nfs/dbraw/zinc/14/33/38/948143338.db2.gz BLSCNHYJDZRSHA-KBXCAEBGSA-N 1 0 379.468 1.914 20 0 GDADRO CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573426969 948161524 /nfs/dbraw/zinc/16/15/24/948161524.db2.gz RTWBJQLDDWVJOL-STQMWFEESA-N 1 0 386.353 1.752 20 0 GDADRO CC(C)[C@@H](CNC(=O)[C@H](C)c1cccnc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573680683 948185881 /nfs/dbraw/zinc/18/58/81/948185881.db2.gz PQEHIMZZEWDHML-CXAGYDPISA-N 1 0 380.456 1.435 20 0 GDADRO CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573680687 948186294 /nfs/dbraw/zinc/18/62/94/948186294.db2.gz PQEHIMZZEWDHML-SUMWQHHRSA-N 1 0 380.456 1.435 20 0 GDADRO CC(=O)N1CCC([C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CCO2)CC1 ZINC001573434973 948223424 /nfs/dbraw/zinc/22/34/24/948223424.db2.gz UFRQBKYYVSZMEN-PKOBYXMFSA-N 1 0 384.484 1.762 20 0 GDADRO CC(=O)N1CCC([C@@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC001573435264 948226609 /nfs/dbraw/zinc/22/66/09/948226609.db2.gz VDIAMORZDVZMKR-OALUTQOASA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCCC1 ZINC001573694468 948296314 /nfs/dbraw/zinc/29/63/14/948296314.db2.gz VWBHQIIMWDXJEP-LRDDRELGSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573703468 948355338 /nfs/dbraw/zinc/35/53/38/948355338.db2.gz KGNHUYAQAGAQEW-GJZGRUSLSA-N 1 0 380.456 1.657 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573703799 948358946 /nfs/dbraw/zinc/35/89/46/948358946.db2.gz MOGHIVGKOVMLHH-YOEHRIQHSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573705216 948394119 /nfs/dbraw/zinc/39/41/19/948394119.db2.gz GNCWKICTVLZPQS-LSDHHAIUSA-N 1 0 380.456 1.263 20 0 GDADRO O=C1OCCN1c1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000826483107 948397711 /nfs/dbraw/zinc/39/77/11/948397711.db2.gz BJUOYBGRQVKCID-UHFFFAOYSA-N 1 0 390.407 1.761 20 0 GDADRO C[C@@H](C(=O)NCC=CCNc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCCC1 ZINC001573705401 948400791 /nfs/dbraw/zinc/40/07/91/948400791.db2.gz FLDJFGUFFDSUNC-WSNITJDQSA-N 1 0 385.476 1.006 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000826513801 948438682 /nfs/dbraw/zinc/43/86/82/948438682.db2.gz WKFAOJAUUIVAIM-FPOVZHCZSA-N 1 0 398.511 1.759 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCCO1)C1CC1 ZINC001573708533 948451514 /nfs/dbraw/zinc/45/15/14/948451514.db2.gz WKPIIJNAEZAZMM-PBHICJAKSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573714363 948472687 /nfs/dbraw/zinc/47/26/87/948472687.db2.gz GQMRQTOTZLOWBV-KGLIPLIRSA-N 1 0 381.440 1.991 20 0 GDADRO C[C@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1cccnc1 ZINC001573715019 948481315 /nfs/dbraw/zinc/48/13/15/948481315.db2.gz MUCALZVSURMGFH-ZDUSSCGKSA-N 1 0 383.431 1.800 20 0 GDADRO C[C@H](C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573715283 948487670 /nfs/dbraw/zinc/48/76/70/948487670.db2.gz SNCGULSKHZNSLC-GHMZBOCLSA-N 1 0 383.378 1.793 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccn1 ZINC001573717576 948509805 /nfs/dbraw/zinc/50/98/05/948509805.db2.gz FVNQKNBGJYRXGT-CQSZACIVSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cccn1 ZINC001573718761 948519120 /nfs/dbraw/zinc/51/91/20/948519120.db2.gz RZIQHKYMGRCLLU-QWHCGFSZSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Nc1ncccc1-c1nn[nH]n1 ZINC001573719580 948527395 /nfs/dbraw/zinc/52/73/95/948527395.db2.gz XAEVFUYFWIICFP-GJZGRUSLSA-N 1 0 386.504 1.833 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCCO1 ZINC001573729678 948569588 /nfs/dbraw/zinc/56/95/88/948569588.db2.gz IUKDWIDRTYRWNW-MOIQIXESSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573730070 948575413 /nfs/dbraw/zinc/57/54/13/948575413.db2.gz LTUUSKNDGNHVKN-IHRRRGAJSA-N 1 0 385.497 1.975 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573731706 948595134 /nfs/dbraw/zinc/59/51/34/948595134.db2.gz XOIBIYUFPAZDOP-QRTARXTBSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H](C)c1cccnc1 ZINC001573739974 948625731 /nfs/dbraw/zinc/62/57/31/948625731.db2.gz JELBZIWDCZYRNY-OLZOCXBDSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H](C)c1cccnc1 ZINC001573740190 948629583 /nfs/dbraw/zinc/62/95/83/948629583.db2.gz KPCBUBZDVMEUCB-CHWSQXEVSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573751849 948704744 /nfs/dbraw/zinc/70/47/44/948704744.db2.gz FUHIJPVZXMTHAU-CQDKDKBSSA-N 1 0 384.419 1.200 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(F)(F)F ZINC001573752359 948713172 /nfs/dbraw/zinc/71/31/72/948713172.db2.gz NEZQUDHYSPUTAS-LSJOCFKGSA-N 1 0 386.353 1.941 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)C1CCC1 ZINC001573753443 948719291 /nfs/dbraw/zinc/71/92/91/948719291.db2.gz VEOFUFOKGZWIGU-YRINGNFDSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@H]1CCCO1 ZINC001573753676 948720635 /nfs/dbraw/zinc/72/06/35/948720635.db2.gz WWICSVIMENEROP-PLNCSYRRSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@H](CNC(=O)CCc1ccccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574914416 948748196 /nfs/dbraw/zinc/74/81/96/948748196.db2.gz JATKPUXGHQSVHC-CYBMUJFWSA-N 1 0 383.431 1.628 20 0 GDADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1nc2ccc(-c3nn[nH]n3)cc2[nH]1 ZINC001574079998 948783139 /nfs/dbraw/zinc/78/31/39/948783139.db2.gz MWCGSFQGWZUVCS-OAHLLOKOSA-N 1 0 384.444 1.475 20 0 GDADRO C[C@H](CNC(=O)CCCc1ccccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574918004 948832799 /nfs/dbraw/zinc/83/27/99/948832799.db2.gz FKYLSLLMGJFIIF-CYBMUJFWSA-N 1 0 385.497 1.940 20 0 GDADRO CC(F)(F)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575229457 948845683 /nfs/dbraw/zinc/84/56/83/948845683.db2.gz JDGUAOLACJUOAE-NSHDSACASA-N 1 0 382.390 1.989 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574918515 948849531 /nfs/dbraw/zinc/84/95/31/948849531.db2.gz LZMHZRIKWQPGLT-GFCCVEGCSA-N 1 0 392.895 1.708 20 0 GDADRO CC(C)c1ccsc1C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574424549 948854232 /nfs/dbraw/zinc/85/42/32/948854232.db2.gz PNMYCBCWYJLMAB-LLVKDONJSA-N 1 0 387.469 1.071 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920425 948903515 /nfs/dbraw/zinc/90/35/15/948903515.db2.gz KWQHHFRWKIBFBB-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@H](CNC(=O)CCc1cncnc1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920653 948906260 /nfs/dbraw/zinc/90/62/60/948906260.db2.gz NRLFSIBIUGBHKJ-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO CC(C)c1ncncc1C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001574432906 948942552 /nfs/dbraw/zinc/94/25/52/948942552.db2.gz OWFXPVKUIWRFDO-UHFFFAOYSA-N 1 0 392.467 1.832 20 0 GDADRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC001574089580 948959849 /nfs/dbraw/zinc/95/98/49/948959849.db2.gz FSKIAOXQDZJFED-AEFFLSMTSA-N 1 0 384.484 1.967 20 0 GDADRO C[C@H](F)CC[NH+]1CCC2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001575241601 948973650 /nfs/dbraw/zinc/97/36/50/948973650.db2.gz DIGXRVZCQSCRCG-ZDUSSCGKSA-N 1 0 375.452 1.871 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[nH]n2)CC1 ZINC001574689512 948987289 /nfs/dbraw/zinc/98/72/89/948987289.db2.gz HPCIVRLFXXPZDT-ZDUSSCGKSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926220 948990085 /nfs/dbraw/zinc/99/00/85/948990085.db2.gz LFCNAONWSNLSNM-NEPJUHHUSA-N 1 0 392.895 1.421 20 0 GDADRO C[C@@H](CNC(=O)C[NH+]1CCCC1)N(C)c1snc(Cl)c1-c1nn[nH]n1 ZINC001574926303 948993758 /nfs/dbraw/zinc/99/37/58/948993758.db2.gz NDRZBESFFPEWMH-VIFPVBQESA-N 1 0 384.897 1.013 20 0 GDADRO CC(C)c1nnc(C[NH2+][C@@H](C)CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)s1 ZINC001574435475 948995263 /nfs/dbraw/zinc/99/52/63/948995263.db2.gz VOFDBAUDBUTGLB-JTQLQIEISA-N 1 0 389.489 1.468 20 0 GDADRO CC(C)(C(=O)NC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+]1CCCCC1 ZINC001573774041 948996341 /nfs/dbraw/zinc/99/63/41/948996341.db2.gz POXXSSCAZOYWAD-UHFFFAOYSA-N 1 0 383.500 1.432 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H](C)Oc1cccnc1 ZINC001575502199 949015983 /nfs/dbraw/zinc/01/59/83/949015983.db2.gz IKRWFOPOWRJVSQ-ZIAGYGMSSA-N 1 0 381.440 1.324 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(F)(F)F ZINC001573774700 949020685 /nfs/dbraw/zinc/02/06/85/949020685.db2.gz QHUMSZQHXROBGK-LBPRGKRZSA-N 1 0 386.378 1.022 20 0 GDADRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575503122 949038993 /nfs/dbraw/zinc/03/89/93/949038993.db2.gz JHWQMSZTTXJKAC-JTQLQIEISA-N 1 0 375.383 1.896 20 0 GDADRO CC(C)c1nsc(C[NH2+][C@@H](C)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574441463 949057209 /nfs/dbraw/zinc/05/72/09/949057209.db2.gz LMCFYEXLNOZYGK-JTQLQIEISA-N 1 0 389.489 1.468 20 0 GDADRO C[C@H](NC(=O)C(F)F)[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575248963 949086457 /nfs/dbraw/zinc/08/64/57/949086457.db2.gz ABQOEAUKLQEJCK-CMPLNLGQSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)(C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001573780370 949090471 /nfs/dbraw/zinc/09/04/71/949090471.db2.gz XKGBGLUXJBAGFS-OAHLLOKOSA-N 1 0 384.488 1.221 20 0 GDADRO C[C@H](CNC(=O)COCc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574931351 949117760 /nfs/dbraw/zinc/11/77/60/949117760.db2.gz OQFJHMQOTXUHND-CQSZACIVSA-N 1 0 381.440 1.073 20 0 GDADRO CC(C)[C@H]1C[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001574094121 949127132 /nfs/dbraw/zinc/12/71/32/949127132.db2.gz XMZIDYBXZBOVQV-KGLIPLIRSA-N 1 0 385.472 1.053 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574932178 949129917 /nfs/dbraw/zinc/12/99/17/949129917.db2.gz VOHRFBLNLGPRQU-GFCCVEGCSA-N 1 0 376.436 1.559 20 0 GDADRO C[C@@H](NC(=O)C1(C)CCOCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251719 949144824 /nfs/dbraw/zinc/14/48/24/949144824.db2.gz CAWBTHYBDGELHE-GFCCVEGCSA-N 1 0 390.513 1.681 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)C1)[NH+]1CCCC1 ZINC001573787023 949159913 /nfs/dbraw/zinc/15/99/13/949159913.db2.gz JSQLTCJLCPKAPB-JOCQHMNTSA-N 1 0 388.451 1.334 20 0 GDADRO C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575252508 949167660 /nfs/dbraw/zinc/16/76/60/949167660.db2.gz GMXGSXVHTFXGSD-KBPBESRZSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575252511 949168093 /nfs/dbraw/zinc/16/80/93/949168093.db2.gz GMXGSXVHTFXGSD-KGLIPLIRSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@H](CNC(=O)COc1ccc(F)cc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574934548 949168469 /nfs/dbraw/zinc/16/84/69/949168469.db2.gz KUIQPQBUIVRRED-CYBMUJFWSA-N 1 0 384.415 1.679 20 0 GDADRO C[C@H](NC(=O)[C@@]1(C)CCOC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575252913 949175980 /nfs/dbraw/zinc/17/59/80/949175980.db2.gz IHLPSJFOCQXFOT-BUXKBTBVSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@@H](NC(=O)C(F)F)[C@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575253403 949187526 /nfs/dbraw/zinc/18/75/26/949187526.db2.gz SYKBSQNHPKBENP-MNOVXSKESA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)n1cccn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574698607 949198715 /nfs/dbraw/zinc/19/87/15/949198715.db2.gz NADCYSSNFZNKRE-CHWSQXEVSA-N 1 0 386.435 1.400 20 0 GDADRO CC(C)c1ocnc1C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574450257 949204584 /nfs/dbraw/zinc/20/45/84/949204584.db2.gz XSMNAOVNDIXQFY-HAQNSBGRSA-N 1 0 384.444 1.604 20 0 GDADRO C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576151189 949208529 /nfs/dbraw/zinc/20/85/29/949208529.db2.gz DJDBNORUCJATNR-HUUCEWRRSA-N 1 0 387.488 1.752 20 0 GDADRO C[C@@H](Nc1cnc(-c2nn[nH]n2)cn1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575255345 949228256 /nfs/dbraw/zinc/22/82/56/949228256.db2.gz ZGBXFRIHTIQRKO-OLZOCXBDSA-N 1 0 387.492 1.226 20 0 GDADRO CC(C)n1cc(C(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001574452901 949275319 /nfs/dbraw/zinc/27/53/19/949275319.db2.gz QQQOUPANCGDBQZ-AWEZNQCLSA-N 1 0 381.444 1.178 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574702075 949275585 /nfs/dbraw/zinc/27/55/85/949275585.db2.gz GCEJTRWKMHGVQY-NSHDSACASA-N 1 0 392.895 1.516 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(C)CCOCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574702383 949278784 /nfs/dbraw/zinc/27/87/84/949278784.db2.gz IALCIHSXIAOZBK-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574702902 949298684 /nfs/dbraw/zinc/29/86/84/949298684.db2.gz NQGZUYBEQRFJPB-LLVKDONJSA-N 1 0 392.895 1.658 20 0 GDADRO C[C@H](CNC(=O)Cc1cccc(F)c1F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574941447 949305857 /nfs/dbraw/zinc/30/58/57/949305857.db2.gz QQUREUQUPIGMLK-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO CC(C)n1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001574458671 949346795 /nfs/dbraw/zinc/34/67/95/949346795.db2.gz WZFOFGLGVZXGAF-GFCCVEGCSA-N 1 0 386.485 1.710 20 0 GDADRO CC1(C)CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575527420 949369734 /nfs/dbraw/zinc/36/97/34/949369734.db2.gz CBXUGYKDJTZOKA-UZLBHIALSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574460155 949370824 /nfs/dbraw/zinc/37/08/24/949370824.db2.gz QRXASKCAMYEBSW-MQMHXKEQSA-N 1 0 383.460 1.270 20 0 GDADRO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574704590 949399968 /nfs/dbraw/zinc/39/99/68/949399968.db2.gz DEQBUEKVTAPGLA-YOEHRIQHSA-N 1 0 386.504 1.783 20 0 GDADRO C[C@@H](CNC(=O)Cc1cscn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574946003 949422992 /nfs/dbraw/zinc/42/29/92/949422992.db2.gz ROOUFPUPHAGPFM-JTQLQIEISA-N 1 0 375.433 1.299 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001574465023 949423367 /nfs/dbraw/zinc/42/33/67/949423367.db2.gz SYMWQQRIIULSKD-CYBMUJFWSA-N 1 0 381.444 1.295 20 0 GDADRO C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575265844 949455788 /nfs/dbraw/zinc/45/57/88/949455788.db2.gz VUERLVBJPJLPSE-UKRRQHHQSA-N 1 0 385.472 1.409 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574469454 949481057 /nfs/dbraw/zinc/48/10/57/949481057.db2.gz DQNDKDIFNDBUFS-JOCQHMNTSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@@H]1CCCC[C@@]1(C[NH2+]Cc1ccon1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576157544 949486938 /nfs/dbraw/zinc/48/69/38/949486938.db2.gz RHNSVZTUCOOFGU-XIKOKIGWSA-N 1 0 384.444 1.651 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCC1(F)F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574708814 949497270 /nfs/dbraw/zinc/49/72/70/949497270.db2.gz XIKHSFFSEDRSJR-MFKMUULPSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@]1(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)CCCOC1 ZINC001575538008 949507129 /nfs/dbraw/zinc/50/71/29/949507129.db2.gz ZODBSXLKEXBBIT-SFHVURJKSA-N 1 0 390.513 1.826 20 0 GDADRO C[C@H](NC(=O)C[C@@H]1CCCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575267969 949509362 /nfs/dbraw/zinc/50/93/62/949509362.db2.gz KVCJEXWPIRFVFZ-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575871839 949520157 /nfs/dbraw/zinc/52/01/57/949520157.db2.gz CJWPWTMMZUSEKD-BBRMVZONSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@H]1CCCC[C@@]1(CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC(C)(C)O ZINC001576160046 949526611 /nfs/dbraw/zinc/52/66/11/949526611.db2.gz YZQZVIVTCYXWDY-YJYMSZOUSA-N 1 0 387.488 1.322 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575872179 949539282 /nfs/dbraw/zinc/53/92/82/949539282.db2.gz HDCVZYVPPHVLQD-UKRRQHHQSA-N 1 0 384.488 1.220 20 0 GDADRO C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576164552 949553495 /nfs/dbraw/zinc/55/34/95/949553495.db2.gz HEGCEELPLOWGJF-DYVFJYSZSA-N 1 0 383.456 1.417 20 0 GDADRO CC1(C(=O)N2CCC[C@](CO)([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001575539837 949559745 /nfs/dbraw/zinc/55/97/45/949559745.db2.gz UJNBWGRLPBVBCD-IBGZPJMESA-N 1 0 388.447 1.249 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575540208 949564687 /nfs/dbraw/zinc/56/46/87/949564687.db2.gz VVTPXABVXUWLLU-DNVCBOLYSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575270171 949574695 /nfs/dbraw/zinc/57/46/95/949574695.db2.gz BPBVOOAEIWUZIP-HOCLYGCPSA-N 1 0 386.504 1.325 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ncc[nH]1 ZINC001573810794 949578191 /nfs/dbraw/zinc/57/81/91/949578191.db2.gz CVQOCOIPNOEPBJ-AWEZNQCLSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574712970 949595262 /nfs/dbraw/zinc/59/52/62/949595262.db2.gz VOJWHQCOVKOYQP-OCCSQVGLSA-N 1 0 387.463 1.606 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574712972 949596831 /nfs/dbraw/zinc/59/68/31/949596831.db2.gz VOJWHQCOVKOYQP-TZMCWYRMSA-N 1 0 387.463 1.606 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574713200 949598009 /nfs/dbraw/zinc/59/80/09/949598009.db2.gz WKFIUISZYZRBQW-FZMZJTMJSA-N 1 0 388.451 1.001 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)cn1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573811867 949610231 /nfs/dbraw/zinc/61/02/31/949610231.db2.gz OQAGQEFAGJVSQB-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cncc(F)c1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573812594 949617002 /nfs/dbraw/zinc/61/70/02/949617002.db2.gz SLFYNSHZOLSZAZ-HNNXBMFYSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@H](NC(=O)CC[C@H]1CCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575271359 949618958 /nfs/dbraw/zinc/61/89/58/949618958.db2.gz JSGJVMYIOYVUMY-STQMWFEESA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574713905 949620414 /nfs/dbraw/zinc/62/04/14/949620414.db2.gz ZFKMTPKTXWUKBI-AUUYWEPGSA-N 1 0 392.463 1.807 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)Cc1ccccc1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574957771 949632868 /nfs/dbraw/zinc/63/28/68/949632868.db2.gz ICGRKIYMMIMNOB-HUUCEWRRSA-N 1 0 379.468 1.727 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cn[nH]c1 ZINC001573813503 949635903 /nfs/dbraw/zinc/63/59/03/949635903.db2.gz ZEDTXVRUGQAKHJ-HNNXBMFYSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@H]1CCCN(C(=O)Cc2cccnc2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576168860 949654384 /nfs/dbraw/zinc/65/43/84/949654384.db2.gz CTLJESJJZLYPQE-RDTXWAMCSA-N 1 0 392.467 1.360 20 0 GDADRO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1ncccc1-c1nn[nH]n1 ZINC001576168964 949657911 /nfs/dbraw/zinc/65/79/11/949657911.db2.gz DEEYEMLWZUBEQP-HOCLYGCPSA-N 1 0 386.504 1.643 20 0 GDADRO C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576169246 949672577 /nfs/dbraw/zinc/67/25/77/949672577.db2.gz FZNOLRSBVSUMLQ-HOCLYGCPSA-N 1 0 386.504 1.643 20 0 GDADRO C[C@H](CN(C)C(=O)CC1(O)CCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574715868 949675920 /nfs/dbraw/zinc/67/59/20/949675920.db2.gz LUSBUHBJBUIKEL-GFCCVEGCSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716101 949678787 /nfs/dbraw/zinc/67/87/87/949678787.db2.gz MJWDQROSJHBDGN-HXPMCKFVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574716062 949679268 /nfs/dbraw/zinc/67/92/68/949679268.db2.gz IAANNJVMBZPDEH-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001574478016 949690199 /nfs/dbraw/zinc/69/01/99/949690199.db2.gz WUJWLOUAYRJOLX-SWLSCSKDSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576169764 949695827 /nfs/dbraw/zinc/69/58/27/949695827.db2.gz IABWUYWDUSIXDA-PBHICJAKSA-N 1 0 384.488 1.397 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCOC1 ZINC001573817765 949703212 /nfs/dbraw/zinc/70/32/12/949703212.db2.gz AVNIAQZIZZNLDK-CJNGLKHVSA-N 1 0 387.488 1.443 20 0 GDADRO C[C@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C2CC2)CCOC1 ZINC001575557152 949707674 /nfs/dbraw/zinc/70/76/74/949707674.db2.gz BTBLLYFTSIADDM-LPHOPBHVSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C[NH2+]Cc1ccccn1 ZINC001576170262 949713101 /nfs/dbraw/zinc/71/31/01/949713101.db2.gz JTHBRDNMOIBZKL-GUYCJALGSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574960357 949725179 /nfs/dbraw/zinc/72/51/79/949725179.db2.gz WPJGTNXSYMINIU-DOPJRALCSA-N 1 0 377.452 1.660 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cn2cccn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881799 949734573 /nfs/dbraw/zinc/73/45/73/949734573.db2.gz BAUKPARGGCRONW-YOEHRIQHSA-N 1 0 380.456 1.233 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574717403 949737243 /nfs/dbraw/zinc/73/72/43/949737243.db2.gz POBMPHXHSWULRK-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881838 949739465 /nfs/dbraw/zinc/73/94/65/949739465.db2.gz BVCBUSLRLPFDCS-GUYCJALGSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H](NC(=O)CCc1ccccn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575277222 949746851 /nfs/dbraw/zinc/74/68/51/949746851.db2.gz OZRITFUUDLUDTC-OAHLLOKOSA-N 1 0 391.479 1.831 20 0 GDADRO C[C@@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575882060 949751657 /nfs/dbraw/zinc/75/16/57/949751657.db2.gz FWPSSDRFSLUINU-CUWKQTPXSA-N 1 0 382.468 1.228 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574718015 949757888 /nfs/dbraw/zinc/75/78/88/949757888.db2.gz REIVXFQNVWWZOP-CHWSQXEVSA-N 1 0 378.502 1.824 20 0 GDADRO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1cncc(-c2nn[nH]n2)n1 ZINC001576172070 949791316 /nfs/dbraw/zinc/79/13/16/949791316.db2.gz UMZKSILVGFZCRF-ZFWWWQNUSA-N 1 0 387.492 1.038 20 0 GDADRO CC(C)C[C@H](C)C[N@@H+]1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574138994 949805221 /nfs/dbraw/zinc/80/52/21/949805221.db2.gz GYOCJECUTFCOFZ-IFXJQAMLSA-N 1 0 389.504 1.698 20 0 GDADRO C[C@H](NC(=O)COCC1CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575282180 949825790 /nfs/dbraw/zinc/82/57/90/949825790.db2.gz IUSDHPSQIPKZIT-NSHDSACASA-N 1 0 376.486 1.291 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccn(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574722121 949826813 /nfs/dbraw/zinc/82/68/13/949826813.db2.gz PLTHXCUFQHBYTE-GFCCVEGCSA-N 1 0 388.501 1.231 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ncccn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574724613 949873893 /nfs/dbraw/zinc/87/38/93/949873893.db2.gz IHNJJMPTPAQWJT-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO CC(C)(C)C1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573825527 949885333 /nfs/dbraw/zinc/88/53/33/949885333.db2.gz ZJCRQQZIXDLFSE-BPCQOVAHSA-N 1 0 392.529 1.567 20 0 GDADRO CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574142991 949886891 /nfs/dbraw/zinc/88/68/91/949886891.db2.gz DPINUKDNQWRBFL-RBSFLKMASA-N 1 0 387.488 1.584 20 0 GDADRO C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574725519 949896818 /nfs/dbraw/zinc/89/68/18/949896818.db2.gz SMBDGMCJUWMIAL-GFCCVEGCSA-N 1 0 392.483 1.638 20 0 GDADRO C[C@H](NC(=O)COCC(F)F)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575284800 949916428 /nfs/dbraw/zinc/91/64/28/949916428.db2.gz WOFBCIKEDFRBPX-NSHDSACASA-N 1 0 380.399 1.085 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1cnn(C)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574726005 949919125 /nfs/dbraw/zinc/91/91/25/949919125.db2.gz WPUDOVREHSQWQX-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](CN(C)C(=O)COc1cccnc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574727506 949971066 /nfs/dbraw/zinc/97/10/66/949971066.db2.gz UQORZMVKAQHBTQ-AWEZNQCLSA-N 1 0 381.440 1.277 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576181931 950031221 /nfs/dbraw/zinc/03/12/21/950031221.db2.gz NEVDZUUHFSBYMH-KBXCAEBGSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)CCCOC1 ZINC001575574897 950035917 /nfs/dbraw/zinc/03/59/17/950035917.db2.gz BIHKIJABQGBVEB-SFHVURJKSA-N 1 0 388.447 1.561 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cn[nH]c1 ZINC001574150832 950040017 /nfs/dbraw/zinc/04/00/17/950040017.db2.gz FCYNVZDZJIQHDV-AWEZNQCLSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576182157 950040723 /nfs/dbraw/zinc/04/07/23/950040723.db2.gz NILDPQIRVAVGFI-DYVFJYSZSA-N 1 0 381.440 1.885 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576182154 950041610 /nfs/dbraw/zinc/04/16/10/950041610.db2.gz NILDPQIRVAVGFI-CXAGYDPISA-N 1 0 381.440 1.885 20 0 GDADRO CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCC1 ZINC001575575210 950043495 /nfs/dbraw/zinc/04/34/95/950043495.db2.gz FRGGXQQWTIRQPN-CYBMUJFWSA-N 1 0 376.436 1.153 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cnn(C)c1 ZINC001574151006 950049262 /nfs/dbraw/zinc/04/92/62/950049262.db2.gz JDYFXNLDLOHIBJ-KRWDZBQOSA-N 1 0 382.472 1.535 20 0 GDADRO CC(C)C[C@H](C[NH2+][C@H](C)c1cnccn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151014 950052552 /nfs/dbraw/zinc/05/25/52/950052552.db2.gz JLGWEBFFCYFCJJ-CHWSQXEVSA-N 1 0 383.460 1.480 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnon1 ZINC001574151154 950062368 /nfs/dbraw/zinc/06/23/68/950062368.db2.gz MDWGXNIKVKAYDR-CYBMUJFWSA-N 1 0 388.407 1.323 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cocn1 ZINC001574151240 950063617 /nfs/dbraw/zinc/06/36/17/950063617.db2.gz OBXSQLRQFNGMMR-LLVKDONJSA-N 1 0 375.458 1.851 20 0 GDADRO C[C@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CCCC2)CCOC1 ZINC001575576187 950066303 /nfs/dbraw/zinc/06/63/03/950066303.db2.gz PCRZAOBLHJSXGL-KRWDZBQOSA-N 1 0 390.513 1.873 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1nnc[nH]1 ZINC001574151366 950073692 /nfs/dbraw/zinc/07/36/92/950073692.db2.gz PWTYTDDHGVAUDS-GFCCVEGCSA-N 1 0 387.423 1.058 20 0 GDADRO C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576183308 950080595 /nfs/dbraw/zinc/08/05/95/950080595.db2.gz PDXLGJRYPCOZGY-LSDHHAIUSA-N 1 0 386.504 1.500 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2cncnc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575893969 950099356 /nfs/dbraw/zinc/09/93/56/950099356.db2.gz CBBNGNXPVNJWFO-GUYCJALGSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@@H](O)c1ccccc1Cl ZINC001574977267 950117127 /nfs/dbraw/zinc/11/71/27/950117127.db2.gz IUDAJBQDVDHGTO-ZUZCIYMTSA-N 1 0 389.847 1.290 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cn(C)cn1 ZINC001574153160 950129376 /nfs/dbraw/zinc/12/93/76/950129376.db2.gz OMYFTMJWQNYNNV-HNNXBMFYSA-N 1 0 382.472 1.535 20 0 GDADRO C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576184661 950136835 /nfs/dbraw/zinc/13/68/35/950136835.db2.gz WWHJOVXRCSJJAI-YPMHNXCESA-N 1 0 391.426 1.625 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576184730 950142017 /nfs/dbraw/zinc/14/20/17/950142017.db2.gz XIFWDQIUMRBPGC-WBMJQRKESA-N 1 0 382.428 1.415 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cncn1C ZINC001574153357 950144396 /nfs/dbraw/zinc/14/43/96/950144396.db2.gz SLTFAIIEVAHKLY-OAHLLOKOSA-N 1 0 382.472 1.535 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2ccnnc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575898226 950152973 /nfs/dbraw/zinc/15/29/73/950152973.db2.gz RXSIFLDBERNCII-SUMWQHHRSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001574738070 950162365 /nfs/dbraw/zinc/16/23/65/950162365.db2.gz BMLJWEYNGIPISB-LBPRGKRZSA-N 1 0 385.476 1.397 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001574738235 950166650 /nfs/dbraw/zinc/16/66/50/950166650.db2.gz CXXPIZMWTOVUQI-LLVKDONJSA-N 1 0 389.410 1.766 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001574738469 950172189 /nfs/dbraw/zinc/17/21/89/950172189.db2.gz FNTQLGZWFZMMID-ZDUSSCGKSA-N 1 0 382.472 1.511 20 0 GDADRO CC1CC[NH+](CC(=O)N(C)C2CN(Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001576191426 950198417 /nfs/dbraw/zinc/19/84/17/950198417.db2.gz GHTOMEWOJYPONG-UHFFFAOYSA-N 1 0 383.500 1.241 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccn(C)c1 ZINC001575900651 950200777 /nfs/dbraw/zinc/20/07/77/950200777.db2.gz GXTUIHICCNFBFS-SJCJKPOMSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)CC1(O)CCC1 ZINC001575900725 950208410 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/nfs/dbraw/zinc/23/10/13/950231013.db2.gz ACUAVIYOCDFCGF-CJNGLKHVSA-N 1 0 384.440 1.220 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1ccon1 ZINC001575901873 950240539 /nfs/dbraw/zinc/24/05/39/950240539.db2.gz RCMAMGMCBNGGCU-ZBEGNZNMSA-N 1 0 385.403 1.316 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1ncc[nH]1 ZINC001575902014 950247669 /nfs/dbraw/zinc/24/76/69/950247669.db2.gz RNAFQXQVBKGJIR-ABAIWWIYSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575588789 950250284 /nfs/dbraw/zinc/25/02/84/950250284.db2.gz SHZJVCACDHGCOV-UZLBHIALSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cnsn1 ZINC001575902462 950260234 /nfs/dbraw/zinc/26/02/34/950260234.db2.gz VHTRWLZLOOHSJQ-RNCFNFMXSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576192743 950263002 /nfs/dbraw/zinc/26/30/02/950263002.db2.gz QPURLYYXMRNRPG-RBZJEDDUSA-N 1 0 381.484 1.626 20 0 GDADRO CC(C)[C@H](CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1)[NH+]1CCC(C)CC1 ZINC001576193072 950281779 /nfs/dbraw/zinc/28/17/79/950281779.db2.gz RPOKYFUXANKWCC-INIZCTEOSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(CO)cc2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575904670 950283452 /nfs/dbraw/zinc/28/34/52/950283452.db2.gz ABLKTAIKGDWEHK-WBMJQRKESA-N 1 0 381.440 1.080 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cncs1 ZINC001575904716 950284082 /nfs/dbraw/zinc/28/40/82/950284082.db2.gz AMCGVMLOYFYLTN-GXSJLCMTSA-N 1 0 375.483 1.778 20 0 GDADRO CC(C)C[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574158544 950285526 /nfs/dbraw/zinc/28/55/26/950285526.db2.gz CHBYKCMQRJXZIU-LSDHHAIUSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cncnc1 ZINC001575905035 950285683 /nfs/dbraw/zinc/28/56/83/950285683.db2.gz BCTONKFNXQZOTK-BDJLRTHQSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccns1 ZINC001575905196 950289892 /nfs/dbraw/zinc/28/98/92/950289892.db2.gz BXPKSHPGTNOKMH-YGRLFVJLSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccncc1 ZINC001575905181 950290174 /nfs/dbraw/zinc/29/01/74/950290174.db2.gz BVESJKJFKHFRMV-PXAZEXFGSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ccc(F)cn1 ZINC001575905469 950295501 /nfs/dbraw/zinc/29/55/01/950295501.db2.gz CWFFODZCLAIGSC-BLLLJJGKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1n[nH]cc1F ZINC001575905764 950299732 /nfs/dbraw/zinc/29/97/32/950299732.db2.gz FDRHKBOCBAXKJP-YMTOWFKASA-N 1 0 388.382 1.261 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576193684 950311412 /nfs/dbraw/zinc/31/14/12/950311412.db2.gz VJJVGPHOSRGNDH-DYVFJYSZSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1nccs1 ZINC001575906955 950321181 /nfs/dbraw/zinc/32/11/81/950321181.db2.gz LDOABXCCAYDDPD-HZMBPMFUSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H](CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574501234 950328292 /nfs/dbraw/zinc/32/82/92/950328292.db2.gz BRPCPAOYQUVQGB-OAHLLOKOSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@@]1(C(=O)NCCC2(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001575594473 950331902 /nfs/dbraw/zinc/33/19/02/950331902.db2.gz KEOFNSUONGETTB-LJQANCHMSA-N 1 0 384.484 1.669 20 0 GDADRO CC(C)C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574160234 950337577 /nfs/dbraw/zinc/33/75/77/950337577.db2.gz MNLMBBGEGJRUDE-TZMCWYRMSA-N 1 0 390.467 1.295 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)COC(C)(C)C ZINC001575907595 950339324 /nfs/dbraw/zinc/33/93/24/950339324.db2.gz PIFFSXDQILMIIG-WBMJQRKESA-N 1 0 390.463 1.900 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575908148 950353686 /nfs/dbraw/zinc/35/36/86/950353686.db2.gz ANPPSKYZRJTBNI-LRDDRELGSA-N 1 0 392.467 1.471 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001574989150 950359818 /nfs/dbraw/zinc/35/98/18/950359818.db2.gz YDBGLVRIBBHTRN-GXSJLCMTSA-N 1 0 386.287 1.829 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ccncc1F ZINC001575908311 950360968 /nfs/dbraw/zinc/36/09/68/950360968.db2.gz UFAJQAGKRUHBAK-YVEFUNNKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cnn(C)c1 ZINC001575908571 950371216 /nfs/dbraw/zinc/37/12/16/950371216.db2.gz VHQMXMXKQQZJNC-ZBEGNZNMSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cnccn1 ZINC001575908930 950384327 /nfs/dbraw/zinc/38/43/27/950384327.db2.gz XISSBKRSHIPEKE-NHYWBVRUSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1ccccn1 ZINC001575909852 950410054 /nfs/dbraw/zinc/41/00/54/950410054.db2.gz IMXCUFBFOGGHEG-KXBFYZLASA-N 1 0 391.479 1.974 20 0 GDADRO CC1CC[NH+](CC(=O)N(C)CCCN(C)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001576198926 950417017 /nfs/dbraw/zinc/41/70/17/950417017.db2.gz WUYKQMUOQAWPEA-UHFFFAOYSA-N 1 0 386.504 1.278 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(F)c2F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575910594 950419884 /nfs/dbraw/zinc/41/98/84/950419884.db2.gz MBQQYXOZAVOACZ-QMTHXVAHSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC2(C)CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001576202570 950429804 /nfs/dbraw/zinc/42/98/04/950429804.db2.gz BELGJYQZKOYXDI-AWEZNQCLSA-N 1 0 384.488 1.079 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C2CC2)CC1 ZINC001576202854 950433510 /nfs/dbraw/zinc/43/35/10/950433510.db2.gz DCWAQYGIKMHAGV-KRWDZBQOSA-N 1 0 384.488 1.300 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C2CC2)CC1 ZINC001576202855 950434751 /nfs/dbraw/zinc/43/47/51/950434751.db2.gz DCWAQYGIKMHAGV-QGZVFWFLSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC2(C)CCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001576204073 950454636 /nfs/dbraw/zinc/45/46/36/950454636.db2.gz KVYIGGGOSAYYFB-CQSZACIVSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC2(CNc3ccc(-c4nn[nH]n4)nc3)CCCC2)C1 ZINC001576204276 950460708 /nfs/dbraw/zinc/46/07/08/950460708.db2.gz NBYGADGJWVFZHC-AWEZNQCLSA-N 1 0 384.488 1.444 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574751461 950461176 /nfs/dbraw/zinc/46/11/76/950461176.db2.gz NVMROJVSVKPORN-GFCCVEGCSA-N 1 0 380.456 1.463 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204664 950466721 /nfs/dbraw/zinc/46/67/21/950466721.db2.gz RBTKOWPLXIJTDI-CZUORRHYSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574752362 950480902 /nfs/dbraw/zinc/48/09/02/950480902.db2.gz VTWMKVZQPFAKLG-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCN2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205003 950486842 /nfs/dbraw/zinc/48/68/42/950486842.db2.gz FOCASKUGNJYUIJ-UKRRQHHQSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001574994593 950487642 /nfs/dbraw/zinc/48/76/42/950487642.db2.gz VEBCFSAJWAOPRZ-ZIAGYGMSSA-N 1 0 379.468 1.708 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1cccnc1 ZINC001575915417 950516341 /nfs/dbraw/zinc/51/63/41/950516341.db2.gz XAKRMLIZVBJZSY-BEFAXECRSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574996440 950528379 /nfs/dbraw/zinc/52/83/79/950528379.db2.gz NPACCKBUKXXZHN-SNVBAGLBSA-N 1 0 388.501 1.857 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN2c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001576205895 950545680 /nfs/dbraw/zinc/54/56/80/950545680.db2.gz QZLQFCQJUQYOFG-UONOGXRCSA-N 1 0 387.463 1.433 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573869119 950556138 /nfs/dbraw/zinc/55/61/38/950556138.db2.gz KROIFPJHSPTWPE-INIZCTEOSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)CCCOC1 ZINC001575614963 950563125 /nfs/dbraw/zinc/56/31/25/950563125.db2.gz WYQMXYWATASATH-VAGZCVSGSA-N 1 0 388.497 1.291 20 0 GDADRO CC(C)(C)OCC(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573869594 950572287 /nfs/dbraw/zinc/57/22/87/950572287.db2.gz RAXLXFHPADYLSX-UHFFFAOYSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001576208016 950606098 /nfs/dbraw/zinc/60/60/98/950606098.db2.gz LCBFOCIATYNLRD-GDBMZVCRSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H](CNC(=O)c1cc(F)ccc1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575000873 950618962 /nfs/dbraw/zinc/61/89/62/950618962.db2.gz HLJQDFDJOSZGGE-SECBINFHSA-N 1 0 375.795 1.707 20 0 GDADRO C[C@H](CNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576209219 950628165 /nfs/dbraw/zinc/62/81/65/950628165.db2.gz ZBBMWIOGYLKKJV-DTWKUNHWSA-N 1 0 384.897 1.235 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575001585 950634736 /nfs/dbraw/zinc/63/47/36/950634736.db2.gz WBFXYMJLLGXCBA-ZETCQYMHSA-N 1 0 381.227 1.549 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573873329 950640110 /nfs/dbraw/zinc/64/01/10/950640110.db2.gz JGDJVJUFFDZWHY-HDJSIYSDSA-N 1 0 387.488 1.586 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]c2ncccc12 ZINC001575923570 950663313 /nfs/dbraw/zinc/66/33/13/950663313.db2.gz CEIYQRQDPSEKCF-IAQYHMDHSA-N 1 0 389.423 1.275 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccc1 ZINC001574518931 950664013 /nfs/dbraw/zinc/66/40/13/950664013.db2.gz SALSYCIJBUZVAO-FEUVXWNVSA-N 1 0 391.479 1.866 20 0 GDADRO C[C@H](CN(C)C(=O)c1cccc2nc[nH]c21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574760533 950666765 /nfs/dbraw/zinc/66/67/65/950666765.db2.gz WPKSYTCGRCOWLM-LLVKDONJSA-N 1 0 377.412 1.133 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccncc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574760681 950677414 /nfs/dbraw/zinc/67/74/14/950677414.db2.gz XRHPXJDWQNWCFH-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO CC(C)n1cnc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC001574761188 950697028 /nfs/dbraw/zinc/69/70/28/950697028.db2.gz SGEHWRSRWPMYMZ-GFCCVEGCSA-N 1 0 388.501 1.956 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001573878073 950701114 /nfs/dbraw/zinc/70/11/14/950701114.db2.gz JQBBBZOIUZYCSJ-LKAFINOVSA-N 1 0 381.484 1.742 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccc(N(C)C)c1 ZINC001575926381 950709888 /nfs/dbraw/zinc/70/98/88/950709888.db2.gz JQNWEDOMAKRPJN-CXAGYDPISA-N 1 0 392.467 1.465 20 0 GDADRO CC1(C)CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001575629065 950730220 /nfs/dbraw/zinc/73/02/20/950730220.db2.gz JVZGRLLBXBEGDH-SJORKVTESA-N 1 0 384.484 1.354 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927486 950745336 /nfs/dbraw/zinc/74/53/36/950745336.db2.gz PTLIRXNFBPPMMJ-PSASIEDQSA-N 1 0 390.860 1.509 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575927710 950753131 /nfs/dbraw/zinc/75/31/31/950753131.db2.gz SLODXOHQCBSRTM-LRDDRELGSA-N 1 0 381.415 1.467 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccc2[nH]ccc21 ZINC001575927729 950754718 /nfs/dbraw/zinc/75/47/18/950754718.db2.gz SYBVOHVKTODGTI-BLLLJJGKSA-N 1 0 388.435 1.880 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1=CCOCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574521105 950769977 /nfs/dbraw/zinc/76/99/77/950769977.db2.gz DCWMLUVFOHFAOD-OLZOCXBDSA-N 1 0 388.447 1.725 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1ncc[nH]1 ZINC001574521449 950781123 /nfs/dbraw/zinc/78/11/23/950781123.db2.gz GGELCSURKIJTMR-VXGBXAGGSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncccc1O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574765301 950781685 /nfs/dbraw/zinc/78/16/85/950781685.db2.gz HDEPOQASBIRKEA-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CN(C)C(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574765282 950783316 /nfs/dbraw/zinc/78/33/16/950783316.db2.gz HBTVULZIMVLOMC-SNVBAGLBSA-N 1 0 386.485 1.390 20 0 GDADRO C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574765355 950788731 /nfs/dbraw/zinc/78/87/31/950788731.db2.gz CGHQMKKCCXLKJM-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CN(C)C(=O)c1cscn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574765637 950795840 /nfs/dbraw/zinc/79/58/40/950795840.db2.gz IVEDLQPOFYXQOC-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)CCC[NH+](C)C ZINC001575931140 950799857 /nfs/dbraw/zinc/79/98/57/950799857.db2.gz HANGKBZIKBYKLL-FZMZJTMJSA-N 1 0 376.440 1.144 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1cccn1 ZINC001574522910 950804286 /nfs/dbraw/zinc/80/42/86/950804286.db2.gz LUTXYBWQHVPMDT-CHWSQXEVSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccc[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574523427 950814541 /nfs/dbraw/zinc/81/45/41/950814541.db2.gz NMFWAIGLPKHLHD-OLZOCXBDSA-N 1 0 385.447 1.950 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC001575010367 950818904 /nfs/dbraw/zinc/81/89/04/950818904.db2.gz FAXZONIVYNOMSQ-ZDUSSCGKSA-N 1 0 382.472 1.511 20 0 GDADRO C[C@@H](CN(C)C(=O)c1n[nH]cc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574766899 950833903 /nfs/dbraw/zinc/83/39/03/950833903.db2.gz OASSLKYUHPZEDQ-VIFPVBQESA-N 1 0 376.371 1.118 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1c[nH]cn1 ZINC001574524171 950849575 /nfs/dbraw/zinc/84/95/75/950849575.db2.gz UHWAKOVSDBYYRN-VXGBXAGGSA-N 1 0 388.501 1.657 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC001575011279 950855258 /nfs/dbraw/zinc/85/52/58/950855258.db2.gz OEZCWURWXXEPHP-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnsn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574767601 950857182 /nfs/dbraw/zinc/85/71/82/950857182.db2.gz SVEAYTVYBYGSTK-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC1(O)CCC1 ZINC001574524474 950860885 /nfs/dbraw/zinc/86/08/85/950860885.db2.gz WWWGCWIZJFGLTN-QWHCGFSZSA-N 1 0 390.463 1.684 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C1(F)CCOCC1 ZINC001574524707 950868653 /nfs/dbraw/zinc/86/86/53/950868653.db2.gz YRBJEGJGJSMJOF-ZIAGYGMSSA-N 1 0 390.463 1.758 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576226436 950882375 /nfs/dbraw/zinc/88/23/75/950882375.db2.gz BIHWYORZWMPAQL-PBHICJAKSA-N 1 0 384.484 1.477 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCO[C@](C)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001575640068 950887022 /nfs/dbraw/zinc/88/70/22/950887022.db2.gz WUYMXPNDFAZQSM-LJQANCHMSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnns1 ZINC001574527541 950890382 /nfs/dbraw/zinc/89/03/82/950890382.db2.gz DBNQSQDBSVPNFK-DTWKUNHWSA-N 1 0 378.487 1.466 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1csnn1 ZINC001574527888 950913155 /nfs/dbraw/zinc/91/31/55/950913155.db2.gz IIOZZSWMUCYAKV-NXEZZACHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574528076 950924699 /nfs/dbraw/zinc/92/46/99/950924699.db2.gz KRWQMVJGRHBESX-NXEZZACHSA-N 1 0 388.457 1.111 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574528078 950925362 /nfs/dbraw/zinc/92/53/62/950925362.db2.gz KRWQMVJGRHBESX-VHSXEESVSA-N 1 0 388.457 1.111 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1n[nH]cc1F ZINC001574528147 950929339 /nfs/dbraw/zinc/92/93/39/950929339.db2.gz LOEMNFRNJSCARI-UWVGGRQHSA-N 1 0 390.398 1.555 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cnn(C)c1 ZINC001574528908 950939682 /nfs/dbraw/zinc/93/96/82/950939682.db2.gz OONHQRVJVUIFMT-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1csc(=O)[nH]1 ZINC001574528714 950943279 /nfs/dbraw/zinc/94/32/79/950943279.db2.gz ODHKPRROVNEPBL-WDEREUQCSA-N 1 0 387.469 1.716 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1nn(C)cc1Cl)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529557 950952190 /nfs/dbraw/zinc/95/21/90/950952190.db2.gz RCPGSSNZZXXLKP-UWVGGRQHSA-N 1 0 391.867 1.268 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCOCC1 ZINC001574772131 950956280 /nfs/dbraw/zinc/95/62/80/950956280.db2.gz PTKWROICYVAHTI-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOCC1 ZINC001574772132 950959610 /nfs/dbraw/zinc/95/96/10/950959610.db2.gz PTKWROICYVAHTI-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001575643322 950966732 /nfs/dbraw/zinc/96/67/32/950966732.db2.gz LJSDMEAVEZCQDB-ZDUSSCGKSA-N 1 0 390.513 1.417 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001575016939 950968612 /nfs/dbraw/zinc/96/86/12/950968612.db2.gz DAEZMCFSYRGSHX-JTQLQIEISA-N 1 0 375.383 1.424 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574530172 950969426 /nfs/dbraw/zinc/96/94/26/950969426.db2.gz SUQHNQJLKKSORV-STQMWFEESA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CCOC1 ZINC001574772381 950969927 /nfs/dbraw/zinc/96/99/27/950969927.db2.gz SFUXCKWSVLYMFF-CHWSQXEVSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)CCC[NH+]1CCN(CCN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001574195383 950981372 /nfs/dbraw/zinc/98/13/72/950981372.db2.gz MVSOFGFOXCXTKT-UHFFFAOYSA-N 1 0 388.520 1.321 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cccnn1 ZINC001574530542 950987395 /nfs/dbraw/zinc/98/73/95/950987395.db2.gz VNDUFRPHJATZEE-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574774010 950997731 /nfs/dbraw/zinc/99/77/31/950997731.db2.gz AZNXHGCXIBWNQG-KGLIPLIRSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@@H]1CN(C(=O)C2=COCCO2)CC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576230292 950997812 /nfs/dbraw/zinc/99/78/12/950997812.db2.gz APBNBVCOLNJIRC-CZUORRHYSA-N 1 0 384.440 1.082 20 0 GDADRO CC(C)OCCC(=O)N[C@H](C)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574773985 950998049 /nfs/dbraw/zinc/99/80/49/950998049.db2.gz ALUWDKUAWRQWTJ-CYBMUJFWSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccncc1F ZINC001574774075 951001320 /nfs/dbraw/zinc/00/13/20/951001320.db2.gz BXOATNLEMBUCJR-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575025313 951128005 /nfs/dbraw/zinc/12/80/05/951128005.db2.gz XSMNWHNWIQNPDL-AWEZNQCLSA-N 1 0 391.479 1.767 20 0 GDADRO CC(C)c1cccc(C(=O)NC[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001575026697 951145753 /nfs/dbraw/zinc/14/57/53/951145753.db2.gz MCMIMNZPYZVLPI-CYBMUJFWSA-N 1 0 380.456 1.680 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2cccnn21)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575028108 951167472 /nfs/dbraw/zinc/16/74/72/951167472.db2.gz VFXHIFSVISBNHI-AWEZNQCLSA-N 1 0 390.451 1.765 20 0 GDADRO C[C@H](CNC(=O)c1cccn2ccnc12)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575031588 951198211 /nfs/dbraw/zinc/19/82/11/951198211.db2.gz DYGNJSNFEQDQQL-CYBMUJFWSA-N 1 0 376.424 1.423 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575035262 951270157 /nfs/dbraw/zinc/27/01/57/951270157.db2.gz VBDHHVLOFTVHCU-GFCCVEGCSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@H](CNC(=O)c1ccnn1C1CCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575035632 951280876 /nfs/dbraw/zinc/28/08/76/951280876.db2.gz ZQWIARJZGINGEC-CYBMUJFWSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(C2CC2)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575035848 951285267 /nfs/dbraw/zinc/28/52/67/951285267.db2.gz MVKOVJHTQIATPF-GFCCVEGCSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575040445 951342749 /nfs/dbraw/zinc/34/27/49/951342749.db2.gz YEKUNSWSXKBLGT-LBPRGKRZSA-N 1 0 383.460 1.121 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1Cl)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575041984 951354865 /nfs/dbraw/zinc/35/48/65/951354865.db2.gz FLGZPTSZDQYMHV-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)o1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575043285 951385633 /nfs/dbraw/zinc/38/56/33/951385633.db2.gz HSNVGUAATXYORH-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCC2)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575043372 951390327 /nfs/dbraw/zinc/39/03/27/951390327.db2.gz RNKUUJWPICKYLZ-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575043520 951396671 /nfs/dbraw/zinc/39/66/71/951396671.db2.gz SSBOCIILAPYPRS-CYBMUJFWSA-N 1 0 382.472 1.632 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575052592 951469308 /nfs/dbraw/zinc/46/93/08/951469308.db2.gz MPDSSHZVKFUPSC-ZDUSSCGKSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(F)F)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575054692 951495731 /nfs/dbraw/zinc/49/57/31/951495731.db2.gz ZYUCNZLBIUJUAB-LLVKDONJSA-N 1 0 390.398 1.709 20 0 GDADRO C[C@H](CNC(=O)c1ncc(Cl)s1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575060928 951553096 /nfs/dbraw/zinc/55/30/96/951553096.db2.gz JZECDFTVIJPIQU-SECBINFHSA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1csc(Cl)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575062528 951571568 /nfs/dbraw/zinc/57/15/68/951571568.db2.gz XHOUTSVFVMWVIW-VIFPVBQESA-N 1 0 377.861 1.885 20 0 GDADRO C[C@H](CNC(=O)c1nn(C)cc1Cl)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575064926 951579200 /nfs/dbraw/zinc/57/92/00/951579200.db2.gz FROUVUSGZQOZKB-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1occc1Br)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575065485 951586456 /nfs/dbraw/zinc/58/64/56/951586456.db2.gz HOSBIWYPGFTMRN-QMMMGPOBSA-N 1 0 392.217 1.270 20 0 GDADRO C[C@H](CNC(=O)c1nn(C)cc1Cl)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067003 951601314 /nfs/dbraw/zinc/60/13/14/951601314.db2.gz OQRZIZDJFVOKGF-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1F)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067372 951609779 /nfs/dbraw/zinc/60/97/79/951609779.db2.gz LGTSUQQUKYTIIO-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1ncc2n1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067893 951625951 /nfs/dbraw/zinc/62/59/51/951625951.db2.gz RBOWJJSOHNGVBW-ZDUSSCGKSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077186 951662493 /nfs/dbraw/zinc/66/24/93/951662493.db2.gz AAHHELUUKVPDHF-UONOGXRCSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077312 951666568 /nfs/dbraw/zinc/66/65/68/951666568.db2.gz FOVBPCYCRINBEO-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](CNC(=O)C1(C(F)F)CC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077344 951666696 /nfs/dbraw/zinc/66/66/96/951666696.db2.gz FZPOFCSGFYKBLL-JTQLQIEISA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](CNC(=O)c1ccns1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078894 951686394 /nfs/dbraw/zinc/68/63/94/951686394.db2.gz NTHQZUPUPSZPRQ-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)c1cn[nH]c1)C1CC1 ZINC001575079488 951692530 /nfs/dbraw/zinc/69/25/30/951692530.db2.gz FHSLAJVBYQCDOA-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079759 951695752 /nfs/dbraw/zinc/69/57/52/951695752.db2.gz GGUXPQHUNYOTDK-TZMCWYRMSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575080142 951704973 /nfs/dbraw/zinc/70/49/73/951704973.db2.gz WEIXVAFYJONDOH-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080837 951716342 /nfs/dbraw/zinc/71/63/42/951716342.db2.gz ZSOHSSCQAWWGFX-STQMWFEESA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCC1(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080824 951716354 /nfs/dbraw/zinc/71/63/54/951716354.db2.gz NSOQGIYBBDPIAI-GXFFZTMASA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)COCC(F)F ZINC001575081675 951725408 /nfs/dbraw/zinc/72/54/08/951725408.db2.gz RITFRJCMCIQEDG-SNVBAGLBSA-N 1 0 386.378 1.224 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575081698 951726004 /nfs/dbraw/zinc/72/60/04/951726004.db2.gz RNIDKRIYVRIRHM-WQFMGJDKSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)c1cnco1)C1CC1 ZINC001575082035 951729496 /nfs/dbraw/zinc/72/94/96/951729496.db2.gz UNYGWIDAUMVHPH-SFHVURJKSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@@H](CNC(=O)CC1OCCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082249 951733051 /nfs/dbraw/zinc/73/30/51/951733051.db2.gz WPNAVAUFDOUOBU-GFCCVEGCSA-N 1 0 392.435 1.001 20 0 GDADRO C[C@H](CNC(=O)C[C@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082695 951736942 /nfs/dbraw/zinc/73/69/42/951736942.db2.gz YBSYDIFERPWCQZ-BUXKBTBVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090130 951756965 /nfs/dbraw/zinc/75/69/65/951756965.db2.gz JKIQCCXHEWPZBA-ZIAGYGMSSA-N 1 0 382.472 1.311 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCOCC1 ZINC001575090948 951764892 /nfs/dbraw/zinc/76/48/92/951764892.db2.gz ONLJZTXLNSKOIH-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C1CC(F)(F)C1 ZINC001575090972 951767113 /nfs/dbraw/zinc/76/71/13/951767113.db2.gz MBGPNFBRXXPTKP-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCn1cccc1 ZINC001575091128 951769842 /nfs/dbraw/zinc/76/98/42/951769842.db2.gz PKZJTTKGLSPCDB-AWEZNQCLSA-N 1 0 385.447 1.834 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ccc(=O)[nH]c1 ZINC001575091221 951771346 /nfs/dbraw/zinc/77/13/46/951771346.db2.gz OMRSLADQSFGOTM-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)Cc1cscn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091300 951773087 /nfs/dbraw/zinc/77/30/87/951773087.db2.gz QJSRKJMZNFOSCZ-NSHDSACASA-N 1 0 389.460 1.547 20 0 GDADRO C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091588 951778651 /nfs/dbraw/zinc/77/86/51/951778651.db2.gz VRGNJFPZEVNIGL-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC001575091671 951780416 /nfs/dbraw/zinc/78/04/16/951780416.db2.gz ULDSGJDGDYBCAG-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575091608 951780956 /nfs/dbraw/zinc/78/09/56/951780956.db2.gz VXMXTHNIQUYFON-QFBILLFUSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575091732 951781862 /nfs/dbraw/zinc/78/18/62/951781862.db2.gz XCRLMWBNJXUEPF-KZULUSFZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1ccn(C)n1 ZINC001575092130 951789129 /nfs/dbraw/zinc/78/91/29/951789129.db2.gz ACKAKISESWDYBY-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)CCO2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092122 951789690 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HBFNPSSDBJQNIT-QWHCGFSZSA-N 1 0 388.501 1.618 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C1CCC(O)CC1 ZINC001575099216 951829475 /nfs/dbraw/zinc/82/94/75/951829475.db2.gz ITJNUZPMXIQOAN-PNESKVBLSA-N 1 0 378.502 1.416 20 0 GDADRO C[C@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099364 951831685 /nfs/dbraw/zinc/83/16/85/951831685.db2.gz KPQUCIHXVWFYPO-QWHCGFSZSA-N 1 0 378.502 1.587 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC001575099389 951835920 /nfs/dbraw/zinc/83/59/20/951835920.db2.gz LGHIPRGHBMFPHV-RKDXNWHRSA-N 1 0 376.408 1.969 20 0 GDADRO C[C@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099546 951836954 /nfs/dbraw/zinc/83/69/54/951836954.db2.gz MZFFKENCBHFMRI-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575099840 951839625 /nfs/dbraw/zinc/83/96/25/951839625.db2.gz PDQMMFBAXSFLDE-YVEFUNNKSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101220 951855673 /nfs/dbraw/zinc/85/56/73/951855673.db2.gz AZXKOGCJYOMTNQ-SECBINFHSA-N 1 0 391.432 1.324 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101380 951857548 /nfs/dbraw/zinc/85/75/48/951857548.db2.gz COKCNUHGESWHIK-LRDDRELGSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575102355 951866989 /nfs/dbraw/zinc/86/69/89/951866989.db2.gz LOTPUSWWDDYSLG-ORAYPTAESA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CCc1c[nH]cn1 ZINC001575105191 951892133 /nfs/dbraw/zinc/89/21/33/951892133.db2.gz HWAHPHPGBHSUQE-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CC1(O)CCC1 ZINC001575105236 951892207 /nfs/dbraw/zinc/89/22/07/951892207.db2.gz IFGDIUJJCPIOOR-LBPRGKRZSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCc2cccnc21)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106198 951903676 /nfs/dbraw/zinc/90/36/76/951903676.db2.gz QUQIDSNCOOKCIX-KDOFPFPSSA-N 1 0 391.479 1.834 20 0 GDADRO C[C@H](CNC(=O)CCc1cncnc1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107123 951912658 /nfs/dbraw/zinc/91/26/58/951912658.db2.gz ZKWIRAWSDXCRKI-AWEZNQCLSA-N 1 0 380.456 1.131 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccn(C)n1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107082 951913870 /nfs/dbraw/zinc/91/38/70/951913870.db2.gz YJABJNDJDCDFNU-CQSZACIVSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575107460 951918956 /nfs/dbraw/zinc/91/89/56/951918956.db2.gz FKVFQWYQXZWJSM-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1nccs1 ZINC001575109796 951935711 /nfs/dbraw/zinc/93/57/11/951935711.db2.gz VMNNVDNHDKYXKZ-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110028 951937930 /nfs/dbraw/zinc/93/79/30/951937930.db2.gz XHTAHBZGFKIOLU-GFCCVEGCSA-N 1 0 380.456 1.623 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113620 951943354 /nfs/dbraw/zinc/94/33/54/951943354.db2.gz CHGLFIAQNMVPAI-LLVKDONJSA-N 1 0 388.863 1.409 20 0 GDADRO C[C@H](CNC(=O)C[C@@H](C)n1cccn1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113668 951943586 /nfs/dbraw/zinc/94/35/86/951943586.db2.gz CWUDYAOWTWMTAX-LSDHHAIUSA-N 1 0 382.472 1.556 20 0 GDADRO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113709 951943652 /nfs/dbraw/zinc/94/36/52/951943652.db2.gz DJGDQGYPSUVRIA-NQYLQCIDSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CC12CCOCC2)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115204 951963304 /nfs/dbraw/zinc/96/33/04/951963304.db2.gz VTFKABQEWYGNKE-YOEHRIQHSA-N 1 0 384.484 1.525 20 0 GDADRO C[C@H](C[NH2+]Cc1cnc(Cl)s1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575116623 951972270 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CHFINQLYPDZTPU-UONOGXRCSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001575166239 952322341 /nfs/dbraw/zinc/32/23/41/952322341.db2.gz ZMAVWLLXRDLVPO-NSHDSACASA-N 1 0 376.440 1.144 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575166764 952328824 /nfs/dbraw/zinc/32/88/24/952328824.db2.gz YNHHPFMVCISSEL-LLVKDONJSA-N 1 0 390.879 1.270 20 0 GDADRO O=C([C@H]1CC1(F)F)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571115027 952462536 /nfs/dbraw/zinc/46/25/36/952462536.db2.gz QHWXKDNKDDKRFA-WBMJQRKESA-N 1 0 375.383 1.346 20 0 GDADRO O=C(N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccc2c(c1)CCC2 ZINC001571116687 952477189 /nfs/dbraw/zinc/47/71/89/952477189.db2.gz CEBPTMZFVQDXSY-WKILWMFISA-N 1 0 375.436 1.545 20 0 GDADRO CC[C@H](F)C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@]2(C)C1 ZINC001571116835 952478148 /nfs/dbraw/zinc/47/81/48/952478148.db2.gz DJIJTWAOTSXAAC-DOPJRALCSA-N 1 0 375.452 1.727 20 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C[C@@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124355 952537736 /nfs/dbraw/zinc/53/77/36/952537736.db2.gz GJUPWLVNSWRLPW-UHIISALHSA-N 1 0 377.399 1.378 20 0 GDADRO C[C@H](Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CC=CCC1)[NH+](C)C ZINC001575208014 952538626 /nfs/dbraw/zinc/53/86/26/952538626.db2.gz YXHHDHIQMAETST-CQSZACIVSA-N 1 0 379.472 1.842 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575214147 952562382 /nfs/dbraw/zinc/56/23/82/952562382.db2.gz JMKDEOLQTYDNFQ-LBPRGKRZSA-N 1 0 382.415 1.115 20 0 GDADRO CCc1cccc(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571128479 952567436 /nfs/dbraw/zinc/56/74/36/952567436.db2.gz UMFHIEYHRLMKBZ-UHFFFAOYSA-N 1 0 377.452 1.686 20 0 GDADRO Cc1ccc(C(=O)N(C)C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)cn1 ZINC001571134107 952585749 /nfs/dbraw/zinc/58/57/49/952585749.db2.gz DSFHGLQIDVAWPY-UHFFFAOYSA-N 1 0 378.440 1.706 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571134244 952587078 /nfs/dbraw/zinc/58/70/78/952587078.db2.gz DBCCSMRDPQIWHS-CZUORRHYSA-N 1 0 378.440 1.155 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571134898 952597383 /nfs/dbraw/zinc/59/73/83/952597383.db2.gz NAGCLBLHMJRWIW-HNNXBMFYSA-N 1 0 378.440 1.251 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnccn2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135561 952605605 /nfs/dbraw/zinc/60/56/05/952605605.db2.gz WTYCWPJSYNCKPG-CJNGLKHVSA-N 1 0 378.440 1.297 20 0 GDADRO Cc1cc(N2CC[C@@H](N(C)C(=O)Cc3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135552 952605869 /nfs/dbraw/zinc/60/58/69/952605869.db2.gz WJTSJMRSWSXNHH-OAHLLOKOSA-N 1 0 378.440 1.245 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2cncnc2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135571 952605942 /nfs/dbraw/zinc/60/59/42/952605942.db2.gz XFMILKGEMUIUNJ-GUYCJALGSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001571139675 952621525 /nfs/dbraw/zinc/62/15/25/952621525.db2.gz KMCZQXBNWUUJEH-MDZLAQPJSA-N 1 0 379.415 1.823 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001571139700 952622326 /nfs/dbraw/zinc/62/23/26/952622326.db2.gz KRWXQKXCYSEHDK-ZDUSSCGKSA-N 1 0 379.415 1.824 20 0 GDADRO Cc1ncncc1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571140520 952626818 /nfs/dbraw/zinc/62/68/18/952626818.db2.gz BUPAIABQQVXQOG-INIZCTEOSA-N 1 0 378.440 1.360 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571141240 952631841 /nfs/dbraw/zinc/63/18/41/952631841.db2.gz IXVFUFPOZYAORE-BFHYXJOUSA-N 1 0 379.424 1.402 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccc(=O)[nH]c1 ZINC001571142171 952639215 /nfs/dbraw/zinc/63/92/15/952639215.db2.gz QPMACAGHIMESNA-AKAXFMLLSA-N 1 0 379.424 1.266 20 0 GDADRO O=C(c1cnn2c1CCC2)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571142738 952646480 /nfs/dbraw/zinc/64/64/80/952646480.db2.gz XCRPZBKPEFDVTB-AWEZNQCLSA-N 1 0 378.440 1.014 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2cccn2C)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571151193 952673607 /nfs/dbraw/zinc/67/36/07/952673607.db2.gz NAWQGZUIIRCTRL-YOEHRIQHSA-N 1 0 379.468 1.988 20 0 GDADRO CCn1cccc1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571151567 952675874 /nfs/dbraw/zinc/67/58/74/952675874.db2.gz QTOLPGXJZZLFIH-MRXNPFEDSA-N 1 0 379.468 1.940 20 0 GDADRO O=C([C@@H]1CC1(F)F)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571152193 952681365 /nfs/dbraw/zinc/68/13/65/952681365.db2.gz CZLIDUYODVYDNE-STQMWFEESA-N 1 0 380.374 1.742 20 0 GDADRO CC1(C)CN(c2cc[nH+]cc2-c2nn[nH]n2)CC[C@H]1NC(=O)Cc1ccc[nH]1 ZINC001571166348 952760539 /nfs/dbraw/zinc/76/05/39/952760539.db2.gz LSNQSPCMFKYVGI-MRXNPFEDSA-N 1 0 380.456 1.554 20 0 GDADRO O=C(N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@]1(F)CCOC1 ZINC001571166518 952762188 /nfs/dbraw/zinc/76/21/88/952762188.db2.gz MQLLKODUYPWFRS-BZNIZROVSA-N 1 0 380.449 1.137 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001571166776 952765074 /nfs/dbraw/zinc/76/50/74/952765074.db2.gz PZMMDMOYWIXBOT-SUMWQHHRSA-N 1 0 380.456 1.094 20 0 GDADRO C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571167106 952770436 /nfs/dbraw/zinc/77/04/36/952770436.db2.gz VTDGKPWAKIFMRE-BBRMVZONSA-N 1 0 380.456 1.478 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571167120 952770485 /nfs/dbraw/zinc/77/04/85/952770485.db2.gz VZHZAEUGVDUACX-OAHLLOKOSA-N 1 0 380.456 1.648 20 0 GDADRO CCCc1n[nH]cc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571167131 952770602 /nfs/dbraw/zinc/77/06/02/952770602.db2.gz WCIJXWMWBMZOKK-SHTZXODSSA-N 1 0 380.456 1.593 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571167256 952772961 /nfs/dbraw/zinc/77/29/61/952772961.db2.gz ZWDIFGOXTREFPU-WMLDXEAASA-N 1 0 380.456 1.233 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC001571169881 952780914 /nfs/dbraw/zinc/78/09/14/952780914.db2.gz PSBMOJSWOZAHHY-CJNGLKHVSA-N 1 0 380.456 1.681 20 0 GDADRO CCn1ccnc1C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC001571170087 952782457 /nfs/dbraw/zinc/78/24/57/952782457.db2.gz SQSKRVRRTRENRD-BBRMVZONSA-N 1 0 380.456 1.333 20 0 GDADRO Cc1cc[nH]c1C(=O)N(C)C1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571170508 952786605 /nfs/dbraw/zinc/78/66/05/952786605.db2.gz VPAJAQIFGNMSRE-UHFFFAOYSA-N 1 0 380.456 1.948 20 0 GDADRO Cc1ccn(C)c1C(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571170889 952789292 /nfs/dbraw/zinc/78/92/92/952789292.db2.gz YRIADUSGSQSRQP-AWEZNQCLSA-N 1 0 380.456 1.356 20 0 GDADRO Cc1ncccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571172275 952803496 /nfs/dbraw/zinc/80/34/96/952803496.db2.gz RRHOQMBXEVLYHK-HNNXBMFYSA-N 1 0 380.456 1.683 20 0 GDADRO C[C@]1(NC(=O)c2cccnc2)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571178236 952837625 /nfs/dbraw/zinc/83/76/25/952837625.db2.gz CDIVQVDZRRKQQD-IBGZPJMESA-N 1 0 381.415 1.795 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccccn1 ZINC001571178334 952839037 /nfs/dbraw/zinc/83/90/37/952839037.db2.gz GDPJMLYQXQZJIX-BLLLJJGKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571178333 952839379 /nfs/dbraw/zinc/83/93/79/952839379.db2.gz GDHYYKYHCJTFPJ-PXAZEXFGSA-N 1 0 381.415 1.794 20 0 GDADRO CN(C(=O)c1ccc(F)cn1)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571178562 952843522 /nfs/dbraw/zinc/84/35/22/952843522.db2.gz NBSMWVXNTSUANS-INIZCTEOSA-N 1 0 381.415 1.747 20 0 GDADRO Cc1cc(CC(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C)no1 ZINC001571179230 952850831 /nfs/dbraw/zinc/85/08/31/952850831.db2.gz AGZZDFSNFTTXIH-LRDDRELGSA-N 1 0 381.440 1.485 20 0 GDADRO Cc1cccc([C@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571179545 952853440 /nfs/dbraw/zinc/85/34/40/952853440.db2.gz FPDPKTWLMOYYBJ-JCURWCKSSA-N 1 0 381.440 1.039 20 0 GDADRO Cc1cnoc1C(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571180426 952858886 /nfs/dbraw/zinc/85/88/86/952858886.db2.gz OKYCXTRFYYMQDC-HUUCEWRRSA-N 1 0 381.440 1.994 20 0 GDADRO Cc1cnoc1C(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571180281 952859264 /nfs/dbraw/zinc/85/92/64/952859264.db2.gz OKYCXTRFYYMQDC-GJZGRUSLSA-N 1 0 381.440 1.994 20 0 GDADRO O=C(Cc1ccoc1)N1CCC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571180504 952860372 /nfs/dbraw/zinc/86/03/72/952860372.db2.gz QIAKFWYYZCJVIQ-CQSZACIVSA-N 1 0 381.440 1.560 20 0 GDADRO Cc1ccc([C@@H](C)C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571180475 952860396 /nfs/dbraw/zinc/86/03/96/952860396.db2.gz OYPFDGRIPNVEDU-KGLIPLIRSA-N 1 0 381.440 1.970 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571181724 952864304 /nfs/dbraw/zinc/86/43/04/952864304.db2.gz XKRQQOBXKIBOEW-WMLDXEAASA-N 1 0 381.440 1.123 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H]([C@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571181914 952866369 /nfs/dbraw/zinc/86/63/69/952866369.db2.gz ZVJQJFITMRVAJQ-BLLLJJGKSA-N 1 0 381.440 1.804 20 0 GDADRO O=C(c1cncc(F)c1)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571182746 952868386 /nfs/dbraw/zinc/86/83/86/952868386.db2.gz DFYQYUMTGQCAOZ-KRWDZBQOSA-N 1 0 381.415 1.795 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)Cc2ccon2)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571182806 952869921 /nfs/dbraw/zinc/86/99/21/952869921.db2.gz GFLOMNFBAQDEML-XJKSGUPXSA-N 1 0 381.440 1.567 20 0 GDADRO COc1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571183054 952873501 /nfs/dbraw/zinc/87/35/01/952873501.db2.gz NAPYGHKZUWNDGF-WFASDCNBSA-N 1 0 381.440 1.596 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC001571183318 952876457 /nfs/dbraw/zinc/87/64/57/952876457.db2.gz XDURMYOOLJVBSS-HNNXBMFYSA-N 1 0 381.440 1.598 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571183387 952877187 /nfs/dbraw/zinc/87/71/87/952877187.db2.gz ZBWIGOWZEMCNEG-YVEFUNNKSA-N 1 0 381.415 1.826 20 0 GDADRO CCc1nc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)co1 ZINC001571183413 952877327 /nfs/dbraw/zinc/87/73/27/952877327.db2.gz ZTDFVQPDMYOLSN-CQSZACIVSA-N 1 0 381.440 1.812 20 0 GDADRO C[C@H](c1cnccn1)[N@H+](C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571183527 952880191 /nfs/dbraw/zinc/88/01/91/952880191.db2.gz CSYYBVDCQNIGPV-OCCSQVGLSA-N 1 0 381.444 1.282 20 0 GDADRO C[C@H]([NH2+]CC1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)c1ncccn1 ZINC001571183981 952885763 /nfs/dbraw/zinc/88/57/63/952885763.db2.gz OBTXJMFWIAJKBO-LBPRGKRZSA-N 1 0 381.444 1.188 20 0 GDADRO CCn1ccc(C(=O)N2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001571184610 952894995 /nfs/dbraw/zinc/89/49/95/952894995.db2.gz BANQMFRFLKUKGH-CYBMUJFWSA-N 1 0 381.444 1.007 20 0 GDADRO Cc1cnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nc1 ZINC001571188151 952912311 /nfs/dbraw/zinc/91/23/11/952912311.db2.gz GUMZRMXOZHDNDX-UONOGXRCSA-N 1 0 381.444 1.124 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)c3ccnn3C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188681 952917944 /nfs/dbraw/zinc/91/79/44/952917944.db2.gz MNJTYBHKPDPGHH-TZMCWYRMSA-N 1 0 381.444 1.091 20 0 GDADRO Cc1cc(N(C)C[C@H]2CCCN2C(=O)c2ccnn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188640 952918055 /nfs/dbraw/zinc/91/80/55/952918055.db2.gz MHXAUJHFTFVEDK-CYBMUJFWSA-N 1 0 381.444 1.045 20 0 GDADRO Cc1c(C(=O)NC[C@H]2CCCN2c2cc(C)[nH+]cc2-c2nn[nH]n2)cnn1C ZINC001571189091 952923938 /nfs/dbraw/zinc/92/39/38/952923938.db2.gz RUAUIMAVIHQFRP-CYBMUJFWSA-N 1 0 381.444 1.011 20 0 GDADRO Cc1n[nH]nc1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571189635 952932495 /nfs/dbraw/zinc/93/24/95/952932495.db2.gz ZGIOXUSKXUCQBB-OAHLLOKOSA-N 1 0 381.444 1.078 20 0 GDADRO Cc1cc(N2C[C@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C(C)(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571190109 952939966 /nfs/dbraw/zinc/93/99/66/952939966.db2.gz FMOQDKWLHNFMEC-UWWPHRKUSA-N 1 0 381.484 1.947 20 0 GDADRO CC(C)(C)C1CC(C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571191080 952943937 /nfs/dbraw/zinc/94/39/37/952943937.db2.gz NQEZGALDQCBUON-KZZUOICLSA-N 1 0 381.484 1.885 20 0 GDADRO C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571190793 952944381 /nfs/dbraw/zinc/94/43/81/952944381.db2.gz LZHPLZSKZVTRFJ-ZOZBEKFXSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@H]1CN(C(=O)C(F)F)CC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571194088 952956640 /nfs/dbraw/zinc/95/66/40/952956640.db2.gz IKSJBEVJISFZDB-JQWIXIFHSA-N 1 0 382.390 1.845 20 0 GDADRO Cc1nccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571195720 952979097 /nfs/dbraw/zinc/97/90/97/952979097.db2.gz FHEATUSEBMHXPZ-AWEZNQCLSA-N 1 0 382.403 1.109 20 0 GDADRO Cc1cc(N2CCC[C@@H]2CNC(=O)c2ccncc2F)c(-c2nn[nH]n2)c[nH+]1 ZINC001571196737 952982815 /nfs/dbraw/zinc/98/28/15/952982815.db2.gz NBCRMDWPIABYMO-GFCCVEGCSA-N 1 0 382.403 1.503 20 0 GDADRO CCc1nc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571199287 952999547 /nfs/dbraw/zinc/99/95/47/952999547.db2.gz OZHBXIZSWYUTGP-LBPRGKRZSA-N 1 0 382.428 1.438 20 0 GDADRO CCc1oncc1C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571199712 953004190 /nfs/dbraw/zinc/00/41/90/953004190.db2.gz ZWKQDAVJWOEALS-UHFFFAOYSA-N 1 0 382.428 1.459 20 0 GDADRO COc1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC001571200301 953007939 /nfs/dbraw/zinc/00/79/39/953007939.db2.gz HHKWLKURECVFOC-OTVXOJSOSA-N 1 0 382.424 1.767 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@@H](N(C)c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571200517 953009833 /nfs/dbraw/zinc/00/98/33/953009833.db2.gz CTGFWLOGLKHFFW-CYBMUJFWSA-N 1 0 382.428 1.146 20 0 GDADRO CC[C@@H]1CN(C(=O)c2oncc2C)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571200723 953011182 /nfs/dbraw/zinc/01/11/82/953011182.db2.gz KPOAEDWMWPHDIC-OCCSQVGLSA-N 1 0 382.428 1.333 20 0 GDADRO O=C(c1ncccn1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571201448 953017659 /nfs/dbraw/zinc/01/76/59/953017659.db2.gz QASINTAWJBGRHY-CQSZACIVSA-N 1 0 382.403 1.190 20 0 GDADRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001571201994 953021574 /nfs/dbraw/zinc/02/15/74/953021574.db2.gz UGTYYNQOGQFLFJ-SUNKGSAMSA-N 1 0 382.428 1.391 20 0 GDADRO Cc1cc(NC2(C)CCN(C(=O)Cc3ccon3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571202152 953023210 /nfs/dbraw/zinc/02/32/10/953023210.db2.gz REXWIVYIYBABFG-UHFFFAOYSA-N 1 0 382.428 1.016 20 0 GDADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571209827 953067507 /nfs/dbraw/zinc/06/75/07/953067507.db2.gz FUAKABGCGIUUOZ-HPBDAGMYSA-N 1 0 382.468 1.372 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC4CC4)[C@@H]3C2)cc1-c1nn[nH]n1 ZINC001571209831 953067723 /nfs/dbraw/zinc/06/77/23/953067723.db2.gz GCKSSHXQYZRLPD-NVXWUHKLSA-N 1 0 382.468 1.708 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210151 953070415 /nfs/dbraw/zinc/07/04/15/953070415.db2.gz MKXDSLNEOYRJAR-KDOFPFPSSA-N 1 0 382.468 1.683 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CC2(CC2)C1 ZINC001571210363 953071682 /nfs/dbraw/zinc/07/16/82/953071682.db2.gz PSQOXKLPEBASFM-QLPKVWCKSA-N 1 0 382.443 1.742 20 0 GDADRO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2(C)C)cc1-c1nn[nH]n1 ZINC001571210383 953072100 /nfs/dbraw/zinc/07/21/00/953072100.db2.gz QEHLNOALOMHXNR-QSJFSLAZSA-N 1 0 382.468 1.468 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC001571210631 953072976 /nfs/dbraw/zinc/07/29/76/953072976.db2.gz UYWSDXJREITKJY-SFHVURJKSA-N 1 0 382.468 1.984 20 0 GDADRO O=C(N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@]12C[C@H]1COC2 ZINC001571210699 953074160 /nfs/dbraw/zinc/07/41/60/953074160.db2.gz VSUOMANJHAODJX-IIMJZQEZSA-N 1 0 382.468 1.231 20 0 GDADRO COc1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)on1 ZINC001571219732 953126731 /nfs/dbraw/zinc/12/67/31/953126731.db2.gz RIUUXZABWYOAKX-CQSZACIVSA-N 1 0 383.412 1.258 20 0 GDADRO O=C(Cc1ccc[nH]1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571229678 953171265 /nfs/dbraw/zinc/17/12/65/953171265.db2.gz JJYYKBDFNUATBX-OAHLLOKOSA-N 1 0 383.431 1.657 20 0 GDADRO O=C(NC[C@@H]1CC[N@H+]1CCCc1cccc(F)c1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571229842 953172802 /nfs/dbraw/zinc/17/28/02/953172802.db2.gz PDEIFTJPUSASRB-INIZCTEOSA-N 1 0 383.431 1.771 20 0 GDADRO CC1(C)CN(C(=O)c2cc[nH]c2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571229994 953173024 /nfs/dbraw/zinc/17/30/24/953173024.db2.gz QKUPSOXWLQRJQN-MRXNPFEDSA-N 1 0 383.431 1.974 20 0 GDADRO Cn1cccc1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571230002 953173066 /nfs/dbraw/zinc/17/30/66/953173066.db2.gz QPPMTMIOJWJSTJ-HNNXBMFYSA-N 1 0 383.431 1.691 20 0 GDADRO CCn1cccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571230580 953178308 /nfs/dbraw/zinc/17/83/08/953178308.db2.gz XURJTZCRRSCQSB-GASCZTMLSA-N 1 0 383.431 1.878 20 0 GDADRO O=C(c1ccc[nH]1)N1CCC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571230819 953180719 /nfs/dbraw/zinc/18/07/19/953180719.db2.gz KYWNVIPHQQDSOC-UHFFFAOYSA-N 1 0 383.431 1.976 20 0 GDADRO CC[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nn[nH]n4)C[C@H]32)O1 ZINC001571231125 953183259 /nfs/dbraw/zinc/18/32/59/953183259.db2.gz SZGCJVCYFKOJCN-IMNPFHOJSA-N 1 0 383.456 1.079 20 0 GDADRO Cc1c[nH]cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2C1 ZINC001571233679 953194257 /nfs/dbraw/zinc/19/42/57/953194257.db2.gz AGKDXFFGYRWNAL-BETUJISGSA-N 1 0 383.481 1.769 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1CNC(=O)c1ccsn1 ZINC001571233690 953195314 /nfs/dbraw/zinc/19/53/14/953195314.db2.gz AMQYQURTXXIGTJ-IUODEOHRSA-N 1 0 383.481 1.821 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2cncs2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571234042 953198424 /nfs/dbraw/zinc/19/84/24/953198424.db2.gz LHSGXRFFHPLQSW-WBMJQRKESA-N 1 0 383.481 1.645 20 0 GDADRO O=C(Cc1cccs1)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571234432 953202226 /nfs/dbraw/zinc/20/22/26/953202226.db2.gz XKDKEXLSDNBMTP-ZDUSSCGKSA-N 1 0 383.481 1.638 20 0 GDADRO CC1(C)CN(C(=O)c2ccsn2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571234424 953202436 /nfs/dbraw/zinc/20/24/36/953202436.db2.gz XBHQLBNFXARPND-OAHLLOKOSA-N 1 0 383.481 1.964 20 0 GDADRO CCc1ccnc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571234501 953202895 /nfs/dbraw/zinc/20/28/95/953202895.db2.gz ZXCMKDNFCHVIEL-ZDUSSCGKSA-N 1 0 383.481 1.890 20 0 GDADRO CCn1ccnc1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571238892 953234197 /nfs/dbraw/zinc/23/41/97/953234197.db2.gz BSHMGVBSOPTPOW-AWEZNQCLSA-N 1 0 384.419 1.227 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)[nH]n1 ZINC001571239175 953236757 /nfs/dbraw/zinc/23/67/57/953236757.db2.gz HHQBVDYAMSRXLC-AWEZNQCLSA-N 1 0 384.419 1.432 20 0 GDADRO C[C@@H]([NH2+]Cc1cncc(F)c1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571239201 953236917 /nfs/dbraw/zinc/23/69/17/953236917.db2.gz HOIUTEHGRIBKRM-YPMHNXCESA-N 1 0 384.419 1.369 20 0 GDADRO C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571239424 953239071 /nfs/dbraw/zinc/23/90/71/953239071.db2.gz LJNGWZVZNDMDBW-BXUZGUMPSA-N 1 0 384.419 1.227 20 0 GDADRO O=C(CCc1ccco1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571239718 953241974 /nfs/dbraw/zinc/24/19/74/953241974.db2.gz RFBVHXOFDKVLHA-OAHLLOKOSA-N 1 0 384.415 1.922 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1cn(C)cn1 ZINC001571240091 953246513 /nfs/dbraw/zinc/24/65/13/953246513.db2.gz ZMHHWZKGGRWXIF-RISCZKNCSA-N 1 0 384.419 1.132 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(CCF)c1 ZINC001571241518 953247175 /nfs/dbraw/zinc/24/71/75/953247175.db2.gz BVMZUADHCAPSAU-HNNXBMFYSA-N 1 0 384.419 1.037 20 0 GDADRO Cc1ncc(C(=O)NC[C@@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)[nH]1 ZINC001571242232 953254646 /nfs/dbraw/zinc/25/46/46/953254646.db2.gz XHYKWNDZJJMBSV-LBPRGKRZSA-N 1 0 384.419 1.289 20 0 GDADRO Cn1cncc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571242299 953255484 /nfs/dbraw/zinc/25/54/84/953255484.db2.gz YSMREHQULGVANK-VDISTLRHSA-N 1 0 384.419 1.038 20 0 GDADRO CCc1onc(C)c1C[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571242808 953260416 /nfs/dbraw/zinc/26/04/16/953260416.db2.gz OMALAGVNNMNBCG-CYBMUJFWSA-N 1 0 384.444 1.448 20 0 GDADRO CC[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3OC)C[C@H]21 ZINC001571247680 953285447 /nfs/dbraw/zinc/28/54/47/953285447.db2.gz CFEJSJMRPWTHMJ-UKPHBRMFSA-N 1 0 384.484 1.954 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C2CCOCC2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571248260 953291513 /nfs/dbraw/zinc/29/15/13/953291513.db2.gz OTFMIDXUUQUHIX-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cc(C2CC2)n[nH]1 ZINC001571248280 953291562 /nfs/dbraw/zinc/29/15/62/953291562.db2.gz PIRVNFOSNNNZMJ-XYPYZODXSA-N 1 0 384.469 1.579 20 0 GDADRO O=C(c1ccns1)N1CCC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571248281 953291701 /nfs/dbraw/zinc/29/17/01/953291701.db2.gz PJDLWMDUKRBVSM-GFCCVEGCSA-N 1 0 384.469 1.495 20 0 GDADRO CO[C@H](C)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571248349 953292538 /nfs/dbraw/zinc/29/25/38/953292538.db2.gz RBUGFFUIADGKLR-QRWLVFNGSA-N 1 0 384.484 1.716 20 0 GDADRO CC(=O)N1CCC(CO[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001571248633 953294944 /nfs/dbraw/zinc/29/49/44/953294944.db2.gz WRZVVNAWXARGIP-GOSISDBHSA-N 1 0 384.484 1.716 20 0 GDADRO Cc1noc(C)c1C[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571248618 953295264 /nfs/dbraw/zinc/29/52/64/953295264.db2.gz HSOHXDYGMSPXBF-AWEZNQCLSA-N 1 0 384.444 1.584 20 0 GDADRO CC(=O)N1CCC(CO[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001571248634 953295466 /nfs/dbraw/zinc/29/54/66/953295466.db2.gz WRZVVNAWXARGIP-SFHVURJKSA-N 1 0 384.484 1.716 20 0 GDADRO Cc1ncncc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571248717 953296832 /nfs/dbraw/zinc/29/68/32/953296832.db2.gz YHGSCRIVNGPGJB-LBPRGKRZSA-N 1 0 384.469 1.373 20 0 GDADRO Cc1ncc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571248978 953299403 /nfs/dbraw/zinc/29/94/03/953299403.db2.gz NFXZBUGHZHCAOF-GXTWGEPZSA-N 1 0 384.444 1.570 20 0 GDADRO O=C(CC1CCCC1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571249172 953301777 /nfs/dbraw/zinc/30/17/77/953301777.db2.gz FIFJHKNWEIWRJK-GOSISDBHSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(C[C@H]1CCOC1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571249203 953302315 /nfs/dbraw/zinc/30/23/15/953302315.db2.gz FXERLYVSEWHWNM-ZTFGCOKTSA-N 1 0 384.484 1.810 20 0 GDADRO Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)oc1C ZINC001571249361 953304182 /nfs/dbraw/zinc/30/41/82/953304182.db2.gz OVPKTAIBLMLVQV-TZMCWYRMSA-N 1 0 384.444 1.488 20 0 GDADRO O=C(C[C@H]1CCCCO1)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571249914 953308048 /nfs/dbraw/zinc/30/80/48/953308048.db2.gz MNCOVSFMNFGMRT-VMWRSERWSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNc3ccc(-c4nn[nH]n4)nc3)[C@H](C)C2)C1 ZINC001571250647 953311884 /nfs/dbraw/zinc/31/18/84/953311884.db2.gz RKZZCJFDFHGJMW-RRFJBIMHSA-N 1 0 384.488 1.110 20 0 GDADRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001571250787 953312760 /nfs/dbraw/zinc/31/27/60/953312760.db2.gz SIAOFAOSAYMLCG-QGPMSJSTSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571250840 953313226 /nfs/dbraw/zinc/31/32/26/953313226.db2.gz UANFETWEEGCOKG-CABCVRRESA-N 1 0 384.488 1.254 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001571250837 953313417 /nfs/dbraw/zinc/31/34/17/953313417.db2.gz TZELMEIJQDBLHE-GJZGRUSLSA-N 1 0 384.488 1.221 20 0 GDADRO CC(C)[C@](O)(C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)c1ccccc1 ZINC001571251418 953317971 /nfs/dbraw/zinc/31/79/71/953317971.db2.gz XJXZNWUGRGBKFP-LJQANCHMSA-N 1 0 384.488 1.580 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)CC1(C)C ZINC001571251881 953320807 /nfs/dbraw/zinc/32/08/07/953320807.db2.gz CCTLMOXRJBADRA-LSDHHAIUSA-N 1 0 384.488 1.077 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001571252254 953325992 /nfs/dbraw/zinc/32/59/92/953325992.db2.gz IYHBMXLWNBYDAP-HNNXBMFYSA-N 1 0 384.488 1.315 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001571252597 953330705 /nfs/dbraw/zinc/33/07/05/953330705.db2.gz QUGJFJYIMSJYIZ-GJZGRUSLSA-N 1 0 384.488 1.457 20 0 GDADRO Cc1nc(N[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571252575 953331252 /nfs/dbraw/zinc/33/12/52/953331252.db2.gz QGLRVYCTRQWQKS-HUUCEWRRSA-N 1 0 384.488 1.457 20 0 GDADRO Cc1nc(N2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571252867 953334271 /nfs/dbraw/zinc/33/42/71/953334271.db2.gz XMINUDZKMALTTA-ZBFHGGJFSA-N 1 0 384.488 1.092 20 0 GDADRO Cc1conc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571253873 953335074 /nfs/dbraw/zinc/33/50/74/953335074.db2.gz ADIRTZSNMCUSPF-CYBMUJFWSA-N 1 0 385.403 1.697 20 0 GDADRO Cc1noc(C)c1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571254045 953336496 /nfs/dbraw/zinc/33/64/96/953336496.db2.gz CMYLZIQPOTWKOY-ZDUSSCGKSA-N 1 0 385.403 1.615 20 0 GDADRO CC(C)[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1C(F)(F)F ZINC001571255926 953360362 /nfs/dbraw/zinc/36/03/62/953360362.db2.gz WQXMPGIJSLXHIX-NWDGAFQWSA-N 1 0 385.394 1.833 20 0 GDADRO C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1 ZINC001573986518 961794841 /nfs/dbraw/zinc/79/48/41/961794841.db2.gz NCSIKRLFOYXWEV-MRXNPFEDSA-N 1 0 378.517 1.696 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000273718053 962796712 /nfs/dbraw/zinc/79/67/12/962796712.db2.gz QDFIAZFHWWPDNV-AWEZNQCLSA-N 1 0 387.502 1.323 20 0 GDADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1 ZINC000874418858 969396456 /nfs/dbraw/zinc/39/64/56/969396456.db2.gz LWQJSFRUHNSBHG-LJQANCHMSA-N 1 0 388.512 1.494 20 0 GDADRO O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)cc2)CC1 ZINC000911338760 982362367 /nfs/dbraw/zinc/36/23/67/982362367.db2.gz CQWMHXKYWWGHLI-RBUKOAKNSA-N 1 0 386.496 1.849 20 0 GDADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001596270997 983688422 /nfs/dbraw/zinc/68/84/22/983688422.db2.gz HIRCXAAOUPRVOI-MRXNPFEDSA-N 1 0 392.500 1.887 20 0 GDADRO C[C@@H](C(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001589360216 986367107 /nfs/dbraw/zinc/36/71/07/986367107.db2.gz JHOODFCBLGNWBI-PXNSSMCTSA-N 1 0 387.524 1.804 20 0 GDADRO CCOc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)cc1 ZINC001597100165 986704583 /nfs/dbraw/zinc/70/45/83/986704583.db2.gz DIPGDPAJQBAWTE-YRNRMSPPSA-N 1 0 375.469 1.168 20 0 GDADRO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001598219368 990887636 /nfs/dbraw/zinc/88/76/36/990887636.db2.gz BTVKJMGESKXZHT-OAHLLOKOSA-N 1 0 394.520 1.331 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001598225734 990917966 /nfs/dbraw/zinc/91/79/66/990917966.db2.gz UDXSHJSKSNKKMJ-UHFFFAOYSA-N 1 0 395.884 1.291 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2nc(CCC(=O)[O-])cs2)C[C@H]1C[NH+](C)C ZINC001598246610 991005972 /nfs/dbraw/zinc/00/59/72/991005972.db2.gz QYDONJLVSNUOHI-CHWSQXEVSA-N 1 0 383.518 1.363 20 0 GDADRO C[NH+]1CCC(C[NH2+]Cc2ccccc2OCC(=O)[O-])(N2CCOCC2)CC1 ZINC001598583713 993353226 /nfs/dbraw/zinc/35/32/26/993353226.db2.gz GJOPDFDUZBINBL-UHFFFAOYSA-N 1 0 377.485 1.036 20 0 GDADRO C[NH+]1CCC(n2ccc(NC(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)n2)CC1 ZINC001598589001 993425460 /nfs/dbraw/zinc/42/54/60/993425460.db2.gz PBTDCZGNCWJHJT-UHFFFAOYSA-N 1 0 378.477 1.163 20 0 GDADRO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001598616980 993902802 /nfs/dbraw/zinc/90/28/02/993902802.db2.gz MSCJBQOGVLITJX-FQEVSTJZSA-N 1 0 398.548 1.268 20 0 GDADRO CNC(=O)[C@H](C[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1)Cc1ccc(F)cc1C ZINC001598634491 994225308 /nfs/dbraw/zinc/22/53/08/994225308.db2.gz MIJRREVZYHHRCW-KRWDZBQOSA-N 1 0 393.503 1.958 20 0 GDADRO COc1cccc([C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C(=O)[O-])c1 ZINC001599655997 994581062 /nfs/dbraw/zinc/58/10/62/994581062.db2.gz BQBYRLYJBGTJSB-SFHVURJKSA-N 1 0 377.485 1.207 20 0 GDADRO CO[C@]1(C(=O)[O-])CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001599076140 996870025 /nfs/dbraw/zinc/87/00/25/996870025.db2.gz IICRLWXVFZEORG-OAQYLSRUSA-N 1 0 389.496 1.251 20 0 GDADRO COC1CC[NH+](C2(CNC(=O)N3CC[N@H+](C)C[C@H](C(=O)[O-])C3)CCCC2)CC1 ZINC001599124633 997814975 /nfs/dbraw/zinc/81/49/75/997814975.db2.gz XGWLGIFYHGNKLN-INIZCTEOSA-N 1 0 396.532 1.068 20 0 GDADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)c1 ZINC000466907127 1126093967 /nfs/dbraw/zinc/09/39/67/1126093967.db2.gz VLVHVZUJDJPXFW-RTBURBONSA-N 1 0 377.510 1.418 20 0 GDADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000631237286 1126102047 /nfs/dbraw/zinc/10/20/47/1126102047.db2.gz NLPNMHNTRYQAGN-NRFANRHFSA-N 1 0 388.512 1.657 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(S(N)(=O)=O)o2)cc1OC ZINC001203581700 1126158984 /nfs/dbraw/zinc/15/89/84/1126158984.db2.gz UTAQMJUVIFIUJR-KRWDZBQOSA-N 1 0 384.454 1.028 20 0 GDADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001659434460 1126263381 /nfs/dbraw/zinc/26/33/81/1126263381.db2.gz GSGHMDPHNIAUMK-QGZVFWFLSA-N 1 0 375.469 1.850 20 0 GDADRO CN(CCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)S(=O)(=O)c1cccs1 ZINC000158687853 530534885 /nfs/dbraw/zinc/53/48/85/530534885.db2.gz ZGHCNJBLYNLRHP-AWEZNQCLSA-N 1 0 386.543 1.152 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1cncc(I)c1 ZINC000158829885 530536420 /nfs/dbraw/zinc/53/64/20/530536420.db2.gz NYCFJKMEIXBTBG-UHFFFAOYSA-N 1 0 377.226 1.384 20 0 GDADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158945703 530537735 /nfs/dbraw/zinc/53/77/35/530537735.db2.gz BDMTUEREZGAWDY-CYBMUJFWSA-N 1 0 393.912 1.592 20 0 GDADRO C[C@H]1Cc2cc(S(=O)(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc(Cl)c2O1 ZINC000158981836 530538432 /nfs/dbraw/zinc/53/84/32/530538432.db2.gz GTMXXIIOWCZDGE-GXTWGEPZSA-N 1 0 388.917 1.789 20 0 GDADRO CO[C@H]1CCN(C(=O)c2csc(I)c2)[C@H](C[NH3+])C1 ZINC000161063097 530557529 /nfs/dbraw/zinc/55/75/29/530557529.db2.gz MVYHNXGZOWOVBT-UWVGGRQHSA-N 1 0 380.251 1.931 20 0 GDADRO CSCC[C@H]([NH3+])C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000166847986 530583218 /nfs/dbraw/zinc/58/32/18/530583218.db2.gz RZFSAWOJYLKVMW-HNNXBMFYSA-N 1 0 384.933 1.185 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000161850195 530563965 /nfs/dbraw/zinc/56/39/65/530563965.db2.gz PDQFTZIGTCGQIJ-ZIAGYGMSSA-N 1 0 385.555 1.851 20 0 GDADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000162650022 530569377 /nfs/dbraw/zinc/56/93/77/530569377.db2.gz YKHHOUQMLFBBEF-CYBMUJFWSA-N 1 0 398.301 1.522 20 0 GDADRO Cc1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])nn1-c1ccc(Br)cc1 ZINC000162572051 530569600 /nfs/dbraw/zinc/56/96/00/530569600.db2.gz SJXFDMYYXMZMLC-HNNXBMFYSA-N 1 0 392.301 1.658 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc2)cs1 ZINC000163151398 530573706 /nfs/dbraw/zinc/57/37/06/530573706.db2.gz UJSBGUGOOVJORF-HNNXBMFYSA-N 1 0 381.523 1.539 20 0 GDADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000163465233 530575814 /nfs/dbraw/zinc/57/58/14/530575814.db2.gz UHKBXQZBRKQWKD-UHFFFAOYSA-N 1 0 395.628 1.561 20 0 GDADRO CC(C)[NH+]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000027421142 530589135 /nfs/dbraw/zinc/58/91/35/530589135.db2.gz KPIJADVARNXCFV-UHFFFAOYSA-N 1 0 397.317 1.530 20 0 GDADRO CNC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000170782877 530589140 /nfs/dbraw/zinc/58/91/40/530589140.db2.gz IWPVPGHZXSPXQZ-JTQLQIEISA-N 1 0 389.237 1.686 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000170867787 530590093 /nfs/dbraw/zinc/59/00/93/530590093.db2.gz QODGATUJVQPWAV-JQWIXIFHSA-N 1 0 394.269 1.596 20 0 GDADRO CC[NH+]1CCC(NC(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)CC1 ZINC000028988395 530593091 /nfs/dbraw/zinc/59/30/91/530593091.db2.gz BZUCORLJJWTIAA-ZDUSSCGKSA-N 1 0 385.559 1.822 20 0 GDADRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Br)cn3)cn2)CC1 ZINC000171361410 530598199 /nfs/dbraw/zinc/59/81/99/530598199.db2.gz LCILSQKZISDZQR-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 GDADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000172076965 530608034 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GDADRO Cc1cccc(C(=O)NCCN2CC[NH+](C)CC2)c1I ZINC000042856351 530631945 /nfs/dbraw/zinc/63/19/45/530631945.db2.gz DKWBJEKYJUBKGE-UHFFFAOYSA-N 1 0 387.265 1.577 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000173586433 530633694 /nfs/dbraw/zinc/63/36/94/530633694.db2.gz YUEGTHLNBLJMRW-UHFFFAOYSA-N 1 0 385.302 1.915 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000043452732 530635174 /nfs/dbraw/zinc/63/51/74/530635174.db2.gz UHLRRKSEZKCUQC-UHFFFAOYSA-N 1 0 379.429 1.773 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(S(N)(=O)=O)s1)CC(C)C ZINC000043472835 530635318 /nfs/dbraw/zinc/63/53/18/530635318.db2.gz LKNPDPOXEAJBGF-CYBMUJFWSA-N 1 0 390.575 1.951 20 0 GDADRO CC[NH+]1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 ZINC000044020147 530637228 /nfs/dbraw/zinc/63/72/28/530637228.db2.gz BFBYHTBWHMZINY-OAHLLOKOSA-N 1 0 385.555 1.810 20 0 GDADRO Cn1nc2c(cc1=O)C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)CC2 ZINC000172791227 530617745 /nfs/dbraw/zinc/61/77/45/530617745.db2.gz 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C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)cn2)CCOCC1 ZINC000193250662 530981964 /nfs/dbraw/zinc/98/19/64/530981964.db2.gz GWYKTFQFMMEGLA-UHFFFAOYSA-N 1 0 385.262 1.010 20 0 GDADRO C[C@@H]([NH3+])CCC(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000193235218 530982388 /nfs/dbraw/zinc/98/23/88/530982388.db2.gz QWLAHPMMJYGHCD-PWSUYJOCSA-N 1 0 392.237 1.275 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000193244596 530982430 /nfs/dbraw/zinc/98/24/30/530982430.db2.gz VIPWJZDWOMJARY-SECBINFHSA-N 1 0 381.267 1.875 20 0 GDADRO COc1cc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c(OC)cc1Br ZINC000193244133 530982468 /nfs/dbraw/zinc/98/24/68/530982468.db2.gz KQJHIQSMPKWBGL-JTQLQIEISA-N 1 0 393.303 1.744 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000193323954 530984022 /nfs/dbraw/zinc/98/40/22/530984022.db2.gz PEMYWHCSWVWCCX-PHIMTYICSA-N 1 0 388.287 1.247 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)COc3cccc(I)c3)C[C@H]2C1 ZINC000192498994 530968658 /nfs/dbraw/zinc/96/86/58/530968658.db2.gz 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378.336 1.916 20 0 GDADRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414361270 531443036 /nfs/dbraw/zinc/44/30/36/531443036.db2.gz HWZJOWQQKQXMPN-ZYHUDNBSSA-N 1 0 379.320 1.983 20 0 GDADRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414361874 531443428 /nfs/dbraw/zinc/44/34/28/531443428.db2.gz UFGAHMKQHKHTJB-GHMZBOCLSA-N 1 0 390.303 1.230 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000486416411 531451162 /nfs/dbraw/zinc/45/11/62/531451162.db2.gz LOENMSQUEYWSMK-CYBMUJFWSA-N 1 0 387.468 1.869 20 0 GDADRO CSc1ncc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)n1 ZINC000536549261 531453490 /nfs/dbraw/zinc/45/34/90/531453490.db2.gz KAMFOIOQWHBZER-OCCSQVGLSA-N 1 0 383.949 1.950 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4c(cc3Br)NC(=O)CO4)C2)C1 ZINC000293944036 531453899 /nfs/dbraw/zinc/45/38/99/531453899.db2.gz RPICBRIZAMMAKE-QGZVFWFLSA-N 1 0 394.269 1.948 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN([C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@@H]21 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COC(=O)c1cc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)cs1 ZINC000268101725 531474515 /nfs/dbraw/zinc/47/45/15/531474515.db2.gz BGHDCHPBPYDQNP-UHFFFAOYSA-N 1 0 390.527 1.656 20 0 GDADRO C[C@@H]1Cc2cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)ccc2N1S(C)(=O)=O ZINC000449722811 531474825 /nfs/dbraw/zinc/47/48/25/531474825.db2.gz QGRRRDYPMDEJKX-NOZJJQNGSA-N 1 0 379.404 1.407 20 0 GDADRO O=C(Nc1cccc2cc(Br)cnc21)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415321002 531475000 /nfs/dbraw/zinc/47/50/00/531475000.db2.gz XHSVQMHGJKTASZ-GFCCVEGCSA-N 1 0 377.242 1.804 20 0 GDADRO O=C(Nc1cc(C(F)(F)F)ccc1Br)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415327617 531475603 /nfs/dbraw/zinc/47/56/03/531475603.db2.gz LDYZKIUCOWTDRC-QMMMGPOBSA-N 1 0 380.164 1.885 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000415341196 531476365 /nfs/dbraw/zinc/47/63/65/531476365.db2.gz GQDHQFYBFVWJHJ-JTQLQIEISA-N 1 0 390.267 1.777 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415339378 531476997 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375.878 1.172 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1Br ZINC000415439966 531486130 /nfs/dbraw/zinc/48/61/30/531486130.db2.gz DWWNTKGTFGCKIE-RNCFNFMXSA-N 1 0 398.257 1.370 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000294579276 531486359 /nfs/dbraw/zinc/48/63/59/531486359.db2.gz KQJIVVUCAHBIBG-ZDUSSCGKSA-N 1 0 393.289 1.005 20 0 GDADRO COC(=O)c1c(Br)ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1C ZINC000415445231 531486927 /nfs/dbraw/zinc/48/69/27/531486927.db2.gz VTHCBRQIHXVPSE-VIFPVBQESA-N 1 0 398.257 1.303 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1)C1CC1 ZINC000415443435 531487119 /nfs/dbraw/zinc/48/71/19/531487119.db2.gz CPAYIHVAUCHYMN-ZDUSSCGKSA-N 1 0 392.257 1.427 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)CC[NH2+]1 ZINC000415449979 531487281 /nfs/dbraw/zinc/48/72/81/531487281.db2.gz ZBGPMRGAJJFYMU-SECBINFHSA-N 1 0 378.230 1.151 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H](CO)c1cccc(Br)c1 ZINC000363477048 531487334 /nfs/dbraw/zinc/48/73/34/531487334.db2.gz PAJVPXMIIRVODE-OAGGEKHMSA-N 1 0 398.301 1.645 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000415458204 531487851 /nfs/dbraw/zinc/48/78/51/531487851.db2.gz YBAMBTWTHSDDPO-MNOVXSKESA-N 1 0 384.274 1.982 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415466655 531488655 /nfs/dbraw/zinc/48/86/55/531488655.db2.gz RZBXIRAYNFFHJO-UHFFFAOYSA-N 1 0 380.246 1.427 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[C@@H]1[NH3+] ZINC000415466017 531489078 /nfs/dbraw/zinc/48/90/78/531489078.db2.gz STJJZDKEBLPCRU-XVKPBYJWSA-N 1 0 376.201 1.862 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000415467822 531489134 /nfs/dbraw/zinc/48/91/34/531489134.db2.gz WFLZKQVYOXRRCE-UHFFFAOYSA-N 1 0 397.163 1.361 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1Br ZINC000415487376 531489662 /nfs/dbraw/zinc/48/96/62/531489662.db2.gz UCTFOWUKJZBWSP-UHFFFAOYSA-N 1 0 399.333 1.893 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000488896126 531490504 /nfs/dbraw/zinc/49/05/04/531490504.db2.gz XWEMQARJTXWWOF-ZDUSSCGKSA-N 1 0 385.486 1.876 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)ccc1S(=O)(=O)CC ZINC000415521171 531491640 /nfs/dbraw/zinc/49/16/40/531491640.db2.gz SMVKBCGYECWWDK-UHFFFAOYSA-N 1 0 375.878 1.188 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)CC[NH3+])sc2c1CCCS2 ZINC000415549767 531493587 /nfs/dbraw/zinc/49/35/87/531493587.db2.gz HMHMXCAMJPHHME-VIFPVBQESA-N 1 0 385.511 1.755 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415521923 531491902 /nfs/dbraw/zinc/49/19/02/531491902.db2.gz CWKKFGRANCFEGW-UHFFFAOYSA-N 1 0 394.273 1.689 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncnc2cc(Br)ccc21 ZINC000450326752 531492806 /nfs/dbraw/zinc/49/28/06/531492806.db2.gz ZNQYGRHXASLKHC-AWEZNQCLSA-N 1 0 378.274 2.144 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415355267 531478182 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1.975 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000658540852 531514326 /nfs/dbraw/zinc/51/43/26/531514326.db2.gz BZQZORORQARNSO-UHFFFAOYSA-N 1 0 376.201 1.686 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415699327 531515427 /nfs/dbraw/zinc/51/54/27/531515427.db2.gz IAKVDRVDPLPCRY-SNVBAGLBSA-N 1 0 384.267 1.901 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)CC[NH2+]CC1 ZINC000415704619 531516476 /nfs/dbraw/zinc/51/64/76/531516476.db2.gz KCUAYWLWVKGIHJ-UHFFFAOYSA-N 1 0 375.803 1.689 20 0 GDADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415708900 531516975 /nfs/dbraw/zinc/51/69/75/531516975.db2.gz LXAJHZPODWFKLM-GFCCVEGCSA-N 1 0 399.264 1.033 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000557720362 531517867 /nfs/dbraw/zinc/51/78/67/531517867.db2.gz OVLOAEXOAXVLOU-OAHLLOKOSA-N 1 0 385.917 1.670 20 0 GDADRO Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000415716703 531518558 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531509335 /nfs/dbraw/zinc/50/93/35/531509335.db2.gz PPDGUTBZRMIJKM-CQSZACIVSA-N 1 0 392.352 1.747 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(I)c2)CC[NH2+]1 ZINC000415660824 531509961 /nfs/dbraw/zinc/50/99/61/531509961.db2.gz OCZODVCUHXXJFH-SKDRFNHKSA-N 1 0 387.221 1.486 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000489824975 531510404 /nfs/dbraw/zinc/51/04/04/531510404.db2.gz LCKHWCWCSQWKPT-GFCCVEGCSA-N 1 0 389.905 1.214 20 0 GDADRO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000548924430 531520304 /nfs/dbraw/zinc/52/03/04/531520304.db2.gz SEOATCJHMIQLQY-MRXNPFEDSA-N 1 0 387.571 1.666 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)c1ccsc1 ZINC000557764904 531520562 /nfs/dbraw/zinc/52/05/62/531520562.db2.gz GKTHNMIWCJXKFK-LSDHHAIUSA-N 1 0 388.559 1.464 20 0 GDADRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(S(N)(=O)=O)c2)cc1 ZINC000581879624 531521300 /nfs/dbraw/zinc/52/13/00/531521300.db2.gz SPVGYEVUDKGWRE-CQSZACIVSA-N 1 0 382.507 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20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](C)CCC[NH3+] ZINC000415766533 531527434 /nfs/dbraw/zinc/52/74/34/531527434.db2.gz XBRPOWFQQVMIEV-MRVPVSSYSA-N 1 0 376.240 1.962 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)CCC[NH3+])cc1I ZINC000415762830 531527441 /nfs/dbraw/zinc/52/74/41/531527441.db2.gz PVLAFRLTYYUIIE-SNVBAGLBSA-N 1 0 389.237 1.782 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(Br)c2)C1 ZINC000658779089 531528569 /nfs/dbraw/zinc/52/85/69/531528569.db2.gz NZAPJCQYUPYNRQ-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415779956 531528847 /nfs/dbraw/zinc/52/88/47/531528847.db2.gz LLRYZSFRVLXEEY-WCQYABFASA-N 1 0 396.285 1.915 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000415784102 531529593 /nfs/dbraw/zinc/52/95/93/531529593.db2.gz GZSGSKYVVTWNMH-LBPRGKRZSA-N 1 0 399.337 1.573 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N(C)C2CC([NH3+])C2)ccc1Br ZINC000415782077 531529668 /nfs/dbraw/zinc/52/96/68/531529668.db2.gz AHTBDKKBYDHKRS-UHFFFAOYSA-N 1 0 398.257 1.431 20 0 GDADRO CCN1CCN(C(=O)C(=O)N2CC[C@H]2c2ccc(Br)cc2)CC1 ZINC000658892570 531531081 /nfs/dbraw/zinc/53/10/81/531531081.db2.gz BZXMMYLQEBMYRM-HNNXBMFYSA-N 1 0 380.286 1.887 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000415792933 531531342 /nfs/dbraw/zinc/53/13/42/531531342.db2.gz UECFDYCOVUBMCI-MNOVXSKESA-N 1 0 399.289 1.076 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415789869 531531762 /nfs/dbraw/zinc/53/17/62/531531762.db2.gz ORGMQYCVMFNLDL-QMMMGPOBSA-N 1 0 382.180 1.934 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000582060316 531532799 /nfs/dbraw/zinc/53/27/99/531532799.db2.gz CBRTYDXLERROQZ-ZDUSSCGKSA-N 1 0 382.237 1.862 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415720572 531520054 /nfs/dbraw/zinc/52/00/54/531520054.db2.gz DWBUOXUXMNZDDK-CABZTGNLSA-N 1 0 377.242 1.884 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cnc4ccsc4c3)CC2)C1 ZINC000364125682 531538297 /nfs/dbraw/zinc/53/82/97/531538297.db2.gz FOHOCZCSNSUNFK-AWEZNQCLSA-N 1 0 380.539 1.697 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659081585 531538404 /nfs/dbraw/zinc/53/84/04/531538404.db2.gz GRBUBCPXVXOEIA-XVKPBYJWSA-N 1 0 376.201 1.780 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)c2cc(Br)ccc21 ZINC000659075273 531538634 /nfs/dbraw/zinc/53/86/34/531538634.db2.gz UHRPFHGRAAIINK-LBPRGKRZSA-N 1 0 380.286 1.942 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000415832914 531539400 /nfs/dbraw/zinc/53/94/00/531539400.db2.gz MBUHDLOOTOQFGS-SNVBAGLBSA-N 1 0 379.766 1.792 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415835861 531540114 /nfs/dbraw/zinc/54/01/14/531540114.db2.gz PHLGRKGLXYKNBI-JTQLQIEISA-N 1 0 390.665 1.536 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])c(Cl)cc1Br ZINC000659088022 531540515 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OCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000582217249 531541886 /nfs/dbraw/zinc/54/18/86/531541886.db2.gz RRVOOSULOHHWNE-KGLIPLIRSA-N 1 0 394.331 1.861 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000659111662 531541916 /nfs/dbraw/zinc/54/19/16/531541916.db2.gz MFJGGDGYAAQSJB-JTQLQIEISA-N 1 0 379.511 1.969 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000415848135 531542058 /nfs/dbraw/zinc/54/20/58/531542058.db2.gz XPXHOLAZBBPOJL-SKDRFNHKSA-N 1 0 387.221 1.473 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659109033 531542718 /nfs/dbraw/zinc/54/27/18/531542718.db2.gz YAGITILQMXMABC-GHMZBOCLSA-N 1 0 388.237 1.684 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415849945 531543314 /nfs/dbraw/zinc/54/33/14/531543314.db2.gz GDOPEEQHYXPHQH-NEPJUHHUSA-N 1 0 381.274 1.631 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415851108 531543459 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CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415859173 531545153 /nfs/dbraw/zinc/54/51/53/531545153.db2.gz UDTPPEJETNKAPH-GFCCVEGCSA-N 1 0 384.933 1.799 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000415867271 531546149 /nfs/dbraw/zinc/54/61/49/531546149.db2.gz AMXVSNRICFETQA-GRYCIOLGSA-N 1 0 396.285 1.901 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc1Cl ZINC000415863626 531546332 /nfs/dbraw/zinc/54/63/32/531546332.db2.gz LQZLVXFRMKAFMQ-SNVBAGLBSA-N 1 0 376.240 1.435 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000659491028 531548008 /nfs/dbraw/zinc/54/80/08/531548008.db2.gz DIELHFBLPCJXKY-UHFFFAOYSA-N 1 0 381.420 1.988 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000582295705 531548274 /nfs/dbraw/zinc/54/82/74/531548274.db2.gz UHFPLHKZQSFVRZ-GJZGRUSLSA-N 1 0 396.285 1.158 20 0 GDADRO C[N@@H+]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1(C)C ZINC000551955138 531548571 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GDADRO C[NH+](C)Cc1ccsc1C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000636346254 531552849 /nfs/dbraw/zinc/55/28/49/531552849.db2.gz KSGHWOCQFNOGRB-UHFFFAOYSA-N 1 0 379.507 1.656 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000491571336 531553072 /nfs/dbraw/zinc/55/30/72/531553072.db2.gz CGUZMZHZMZZPDQ-ZDUSSCGKSA-N 1 0 380.461 1.270 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415794059 531533148 /nfs/dbraw/zinc/53/31/48/531533148.db2.gz VLDWSCDBEHHQDM-NXEZZACHSA-N 1 0 380.246 1.425 20 0 GDADRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280725111 531533320 /nfs/dbraw/zinc/53/33/20/531533320.db2.gz NMZPNOVBAPKGMA-TVQRCGJNSA-N 1 0 395.344 1.615 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415793470 531533263 /nfs/dbraw/zinc/53/32/63/531533263.db2.gz UYCLNXWCTLANLL-VHSXEESVSA-N 1 0 388.262 1.265 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cccc3c(Cl)ccnc32)CC1 ZINC000295177310 531533561 /nfs/dbraw/zinc/53/35/61/531533561.db2.gz RAYNZOIXPBOCTK-UHFFFAOYSA-N 1 0 382.917 1.804 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCSCC1 ZINC000268563449 531536540 /nfs/dbraw/zinc/53/65/40/531536540.db2.gz SVPPGQYNZIYYMF-UHFFFAOYSA-N 1 0 385.555 1.414 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000611696297 531536621 /nfs/dbraw/zinc/53/66/21/531536621.db2.gz NXKAJVZYCHYPNL-CABCVRRESA-N 1 0 398.301 1.495 20 0 GDADRO COc1cc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)sc1Br ZINC000552206478 531554922 /nfs/dbraw/zinc/55/49/22/531554922.db2.gz WBZCPHNESMOANA-CQSZACIVSA-N 1 0 375.288 1.706 20 0 GDADRO COc1ccc(CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)cc1Br ZINC000659697124 531554995 /nfs/dbraw/zinc/55/49/95/531554995.db2.gz KRAQGJJVELLEMC-CYBMUJFWSA-N 1 0 386.290 1.564 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000582846011 531555653 /nfs/dbraw/zinc/55/56/53/531555653.db2.gz UIBMBIRXDAQOMN-JTQLQIEISA-N 1 0 380.297 1.469 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C2 ZINC000659722692 531556766 /nfs/dbraw/zinc/55/67/66/531556766.db2.gz GCLIDFGWWDUVSL-CYBMUJFWSA-N 1 0 396.285 1.094 20 0 GDADRO Cn1nncc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000280921230 531557011 /nfs/dbraw/zinc/55/70/11/531557011.db2.gz GLJGGQUXVJGGEW-UHFFFAOYSA-N 1 0 379.262 1.582 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000659744646 531559927 /nfs/dbraw/zinc/55/99/27/531559927.db2.gz ZRXPFEIEHMMEIU-WKXXDYOBSA-N 1 0 393.285 1.376 20 0 GDADRO CCOC(=O)CN(C)C(=O)CN(C)C[C@H](O)c1ccccc1Br ZINC000295328810 531561495 /nfs/dbraw/zinc/56/14/95/531561495.db2.gz MQTBRLGEQFDDIL-AWEZNQCLSA-N 1 0 387.274 1.436 20 0 GDADRO C[NH+](C)CC1(NC(=O)CN2C(=O)COc3cc(Br)ccc32)CCC1 ZINC000280979881 531563760 /nfs/dbraw/zinc/56/37/60/531563760.db2.gz BDXVJBDMHJZIIL-UHFFFAOYSA-N 1 0 396.285 1.775 20 0 GDADRO CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)[NH+](C)C ZINC000268747420 531564003 /nfs/dbraw/zinc/56/40/03/531564003.db2.gz SOUUNGXODBRAMC-AWEZNQCLSA-N 1 0 375.441 1.138 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000364454483 531566745 /nfs/dbraw/zinc/56/67/45/531566745.db2.gz NEAYACSWBLXCDP-UHFFFAOYSA-N 1 0 377.451 1.215 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CCCC1 ZINC000659682838 531553808 /nfs/dbraw/zinc/55/38/08/531553808.db2.gz OROVUIRGFJKNTK-ZDUSSCGKSA-N 1 0 396.285 1.777 20 0 GDADRO O=C(NCCCOc1ccc(Cl)cc1Cl)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686578 531553856 /nfs/dbraw/zinc/55/38/56/531553856.db2.gz GXORFAZJTTVDKK-UHFFFAOYSA-N 1 0 386.279 1.747 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659691600 531553868 /nfs/dbraw/zinc/55/38/68/531553868.db2.gz KXSSPRAEDDVBRA-ZIAGYGMSSA-N 1 0 386.265 1.580 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])Oc1ccccc1Br ZINC000659702160 531554556 /nfs/dbraw/zinc/55/45/56/531554556.db2.gz OBWSTWRCYUFKKA-NSHDSACASA-N 1 0 386.290 1.528 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000451228759 531568757 /nfs/dbraw/zinc/56/87/57/531568757.db2.gz OALKUWMQNICZDW-UHFFFAOYSA-N 1 0 390.468 1.310 20 0 GDADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000451231032 531571171 /nfs/dbraw/zinc/57/11/71/531571171.db2.gz PASNVYKYISJUJV-QWHCGFSZSA-N 1 0 386.436 1.618 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C[C@]2(OC(C)C)CCOC2)C1 ZINC000659931202 531572887 /nfs/dbraw/zinc/57/28/87/531572887.db2.gz MPYIAAXOHIEZAG-ROUUACIJSA-N 1 0 376.563 1.858 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000636678232 531572969 /nfs/dbraw/zinc/57/29/69/531572969.db2.gz WJNJOCWYYNWCTD-NSHDSACASA-N 1 0 379.404 1.220 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1Br ZINC000281059528 531574092 /nfs/dbraw/zinc/57/40/92/531574092.db2.gz RLMNKMWBHNJRLG-UHFFFAOYSA-N 1 0 388.287 1.088 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000583382353 531574331 /nfs/dbraw/zinc/57/43/31/531574331.db2.gz WQJRATGFUAURMV-MRVPVSSYSA-N 1 0 387.811 1.491 20 0 GDADRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000364566245 531575664 /nfs/dbraw/zinc/57/56/64/531575664.db2.gz WVFOUZYNUWRXAI-DOTOQJQBSA-N 1 0 383.901 1.173 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC000451250598 531575401 /nfs/dbraw/zinc/57/54/01/531575401.db2.gz GRRWZCNYZNDETJ-MRXNPFEDSA-N 1 0 388.555 1.726 20 0 GDADRO C[NH+]1CCC(n2cc(NC(=O)NCc3n[nH]cc3Br)cn2)CC1 ZINC000636810389 531580056 /nfs/dbraw/zinc/58/00/56/531580056.db2.gz CLDMLFRZTSMOHK-UHFFFAOYSA-N 1 0 382.266 1.957 20 0 GDADRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268880047 531581447 /nfs/dbraw/zinc/58/14/47/531581447.db2.gz ASUBVLCWJBFAOC-YOEHRIQHSA-N 1 0 386.539 1.226 20 0 GDADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000451283584 531584157 /nfs/dbraw/zinc/58/41/57/531584157.db2.gz NSAXTQCIVSRTRO-CHWSQXEVSA-N 1 0 388.452 1.864 20 0 GDADRO NC(=O)[C@@]1([NH2+]CCCOc2cccc(I)c2)CCOC1 ZINC000583572596 531584485 /nfs/dbraw/zinc/58/44/85/531584485.db2.gz QFLCBMLKMXKXTD-CQSZACIVSA-N 1 0 390.221 1.294 20 0 GDADRO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1(CO)CCOCC1 ZINC000558863363 531585489 /nfs/dbraw/zinc/58/54/89/531585489.db2.gz RXAPAVIWYCQKPW-UHFFFAOYSA-N 1 0 382.258 1.430 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614065662 531587291 /nfs/dbraw/zinc/58/72/91/531587291.db2.gz RRMLAOKEAYONPZ-MRXNPFEDSA-N 1 0 386.290 1.690 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)s1 ZINC000636897707 531586332 /nfs/dbraw/zinc/58/63/32/531586332.db2.gz LRHLQPLBLOOXQD-GFCCVEGCSA-N 1 0 383.543 1.399 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)CCN2C1=O ZINC000583642015 531588030 /nfs/dbraw/zinc/58/80/30/531588030.db2.gz LQDQDGUWQNBODL-CHWSQXEVSA-N 1 0 392.257 1.243 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000583694833 531589107 /nfs/dbraw/zinc/58/91/07/531589107.db2.gz POSLTNQEHDPLRP-YUMQZZPRSA-N 1 0 387.811 1.489 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494293584 531593177 /nfs/dbraw/zinc/59/31/77/531593177.db2.gz QPHVZNMDPXSSTH-GDBMZVCRSA-N 1 0 375.441 1.108 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1[nH]nc2ccc(Br)cc21 ZINC000295547828 531595023 /nfs/dbraw/zinc/59/50/23/531595023.db2.gz SQNSJFRUSPPFLD-LBPRGKRZSA-N 1 0 381.274 1.902 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000268982309 531595701 /nfs/dbraw/zinc/59/57/01/531595701.db2.gz NMFBUOYVWCAYNJ-GJZGRUSLSA-N 1 0 386.290 1.502 20 0 GDADRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281223939 531595427 /nfs/dbraw/zinc/59/54/27/531595427.db2.gz VDTVAONVMXZUDX-ZEGGKSINSA-N 1 0 377.304 1.907 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1cc2cc(Br)ccc2[nH]1 ZINC000637054167 531597422 /nfs/dbraw/zinc/59/74/22/531597422.db2.gz ODRGQYGSXATLAK-AWEZNQCLSA-N 1 0 381.274 1.796 20 0 GDADRO O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614507588 531597581 /nfs/dbraw/zinc/59/75/81/531597581.db2.gz QAQCXPUJIYMSHA-HNNXBMFYSA-N 1 0 391.313 1.979 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCOc2ccc(Br)cc21 ZINC000614514077 531598801 /nfs/dbraw/zinc/59/88/01/531598801.db2.gz IMBVIPFTUHJWCK-LSDHHAIUSA-N 1 0 394.313 1.821 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCN(CC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cs1 ZINC000660064508 531598560 /nfs/dbraw/zinc/59/85/60/531598560.db2.gz PKDZWDFYJFDSLO-GASCZTMLSA-N 1 0 386.587 1.736 20 0 GDADRO O=S1(=O)C[C@@H]([NH2+]CCSc2ccc(F)cc2F)[C@H](N2CCOCC2)C1 ZINC000660074372 531600875 /nfs/dbraw/zinc/60/08/75/531600875.db2.gz NKQXFZIBTKJIKI-HUUCEWRRSA-N 1 0 392.493 1.144 20 0 GDADRO O=S(=O)(c1cccc(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660090225 531602890 /nfs/dbraw/zinc/60/28/90/531602890.db2.gz AZDGIIPPIBUZNQ-CQSZACIVSA-N 1 0 389.315 1.669 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000660091351 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CSc1cc2c(cc1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O)OCCO2 ZINC000500493653 531659289 /nfs/dbraw/zinc/65/92/89/531659289.db2.gz DQABPUPQKKBMOF-JSGCOSHPSA-N 1 0 386.539 1.987 20 0 GDADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000638603338 531659781 /nfs/dbraw/zinc/65/97/81/531659781.db2.gz DDTZNPCNJOLDBS-OAUYIBNBSA-N 1 0 390.908 1.498 20 0 GDADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638618819 531660225 /nfs/dbraw/zinc/66/02/25/531660225.db2.gz JCBFAAYBCDPCSZ-GDBMZVCRSA-N 1 0 385.302 1.749 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000661952310 531662897 /nfs/dbraw/zinc/66/28/97/531662897.db2.gz BFLAYWGMPTWCPV-HNNXBMFYSA-N 1 0 397.317 1.962 20 0 GDADRO CN(CCOCC[NH3+])C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000638677610 531664643 /nfs/dbraw/zinc/66/46/43/531664643.db2.gz CFHQQOFVXLWFRF-LBPRGKRZSA-N 1 0 384.274 1.236 20 0 GDADRO CN(CCOCC[NH3+])C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000638677094 531664985 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COC(=O)CNC(=O)CC[NH2+]C1(c2cc(Br)ccc2OC)CC1 ZINC000592137930 531767059 /nfs/dbraw/zinc/76/70/59/531767059.db2.gz UYRHBMCMPMUQON-UHFFFAOYSA-N 1 0 385.258 1.716 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417417120 531767820 /nfs/dbraw/zinc/76/78/20/531767820.db2.gz CITINLRNSMKXKY-CQSZACIVSA-N 1 0 383.290 1.702 20 0 GDADRO O=C(CNC(=O)C[N@H+]1CC[C@H](CCCO)C1)Nc1ccccc1Br ZINC000452127635 531768949 /nfs/dbraw/zinc/76/89/49/531768949.db2.gz LFXBFUXCKGACHK-ZDUSSCGKSA-N 1 0 398.301 1.598 20 0 GDADRO Brc1cc2c(cc1Cn1cc(CCN3CC[NH2+]CC3)nn1)OCO2 ZINC000640852702 531769172 /nfs/dbraw/zinc/76/91/72/531769172.db2.gz NZYDYGPHXWBVOC-UHFFFAOYSA-N 1 0 394.273 1.265 20 0 GDADRO COC(=O)c1cccc(Br)c1Cn1cnc2c(c1=O)CC[NH2+]CC2 ZINC000592176752 531769516 /nfs/dbraw/zinc/76/95/16/531769516.db2.gz DFTDQRBCAHDABO-UHFFFAOYSA-N 1 0 392.253 1.529 20 0 GDADRO [NH3+]CC[C@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)C(F)F ZINC000417433286 531769854 /nfs/dbraw/zinc/76/98/54/531769854.db2.gz MNJUPNVXRUIBIP-NSHDSACASA-N 1 0 393.232 1.461 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417439801 531770950 /nfs/dbraw/zinc/77/09/50/531770950.db2.gz SVNXSIAMHSIUQB-CQSZACIVSA-N 1 0 385.306 1.852 20 0 GDADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000562667907 531771148 /nfs/dbraw/zinc/77/11/48/531771148.db2.gz AHSASQZINHPKGL-XHDPSFHLSA-N 1 0 398.276 1.919 20 0 GDADRO CC1(C)CN(C(=O)NCCNC(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000417437417 531771345 /nfs/dbraw/zinc/77/13/45/531771345.db2.gz PWCFMJIOCNFPMQ-UHFFFAOYSA-N 1 0 383.290 1.572 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cccc(I)c1 ZINC000452355226 531772682 /nfs/dbraw/zinc/77/26/82/531772682.db2.gz XMNIJGLWRMQTQU-CQSZACIVSA-N 1 0 388.249 1.868 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000667266305 531773389 /nfs/dbraw/zinc/77/33/89/531773389.db2.gz SZXOXNLTGJMLSH-QMMMGPOBSA-N 1 0 376.201 1.924 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452347388 531773857 /nfs/dbraw/zinc/77/38/57/531773857.db2.gz IPHHRILHSFGINH-HNNXBMFYSA-N 1 0 398.301 1.142 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417465693 531773913 /nfs/dbraw/zinc/77/39/13/531773913.db2.gz SPPATGADOSHPEN-QWHCGFSZSA-N 1 0 397.317 1.961 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CCO1 ZINC000417479123 531776781 /nfs/dbraw/zinc/77/67/81/531776781.db2.gz JMJWMUQKKWXNJM-ZFWWWQNUSA-N 1 0 383.290 1.397 20 0 GDADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3nc(C)c(C)s3)CC2)CC1 ZINC000563057591 531801208 /nfs/dbraw/zinc/80/12/08/531801208.db2.gz ATBWLEMNUWFIML-UHFFFAOYSA-N 1 0 386.587 1.941 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000417800758 531786519 /nfs/dbraw/zinc/78/65/19/531786519.db2.gz VTSKTOHNTUAPEI-OLZOCXBDSA-N 1 0 388.559 1.500 20 0 GDADRO CC(C)(CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)NS(C)(=O)=O ZINC000667825533 531786616 /nfs/dbraw/zinc/78/66/16/531786616.db2.gz NQPVZNOWCCJCHG-UHFFFAOYSA-N 1 0 382.408 1.613 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417905552 531789009 /nfs/dbraw/zinc/78/90/09/531789009.db2.gz CMIQWQJLVIQIEA-CYBMUJFWSA-N 1 0 399.333 1.940 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000417905807 531789388 /nfs/dbraw/zinc/78/93/88/531789388.db2.gz DBYDPVLCQBXEGU-OAHLLOKOSA-N 1 0 397.317 1.789 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417901429 531789519 /nfs/dbraw/zinc/78/95/19/531789519.db2.gz NOHKGJMGZBWNPS-WCQYABFASA-N 1 0 387.297 1.722 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000592487140 531790390 /nfs/dbraw/zinc/79/03/90/531790390.db2.gz BYMFPHWPLQRULB-CQSZACIVSA-N 1 0 384.274 1.615 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000417922714 531791021 /nfs/dbraw/zinc/79/10/21/531791021.db2.gz FWWOFHIDPFJYRK-NSHDSACASA-N 1 0 396.966 1.695 20 0 GDADRO [NH3+][C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000668154407 531792132 /nfs/dbraw/zinc/79/21/32/531792132.db2.gz KNZAOUXPWWQIIY-CQSZACIVSA-N 1 0 378.475 1.095 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)C[N@@H+]1C1CC1 ZINC000623020669 531792087 /nfs/dbraw/zinc/79/20/87/531792087.db2.gz QTGVOHQMLGMECF-ZYHUDNBSSA-N 1 0 391.273 1.780 20 0 GDADRO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000417925917 531793075 /nfs/dbraw/zinc/79/30/75/531793075.db2.gz KEVBFACUZILZAK-WDEREUQCSA-N 1 0 394.950 1.367 20 0 GDADRO C[C@@H](C(=O)N1CCCC[C@H]1C[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000562977287 531793096 /nfs/dbraw/zinc/79/30/96/531793096.db2.gz VBJAETXNFRRDGN-JQWIXIFHSA-N 1 0 394.269 1.773 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)NCC1CC[NH2+]CC1 ZINC000562973433 531793338 /nfs/dbraw/zinc/79/33/38/531793338.db2.gz BMYPUKYAMFRRKF-UHFFFAOYSA-N 1 0 379.258 1.275 20 0 GDADRO O=C(NCCSCC(F)(F)F)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417961758 531793715 /nfs/dbraw/zinc/79/37/15/531793715.db2.gz GIEGPVALEIWVNO-LBPRGKRZSA-N 1 0 382.452 1.135 20 0 GDADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623028274 531794507 /nfs/dbraw/zinc/79/45/07/531794507.db2.gz FKDFTKXXKFHLMB-ZWNOBZJWSA-N 1 0 379.262 1.589 20 0 GDADRO C[C@H](O)C[NH+]1CCN(Cc2ccc(F)cc2I)CC1 ZINC000417999633 531795422 /nfs/dbraw/zinc/79/54/22/531795422.db2.gz UYQYAWBRNOEDGX-NSHDSACASA-N 1 0 378.229 1.929 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417993222 531795627 /nfs/dbraw/zinc/79/56/27/531795627.db2.gz AAIHOYAUGVPHLT-OAHLLOKOSA-N 1 0 399.333 1.593 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1OC ZINC000282793903 531797315 /nfs/dbraw/zinc/79/73/15/531797315.db2.gz YZXHDTAYDZBDJP-DZGCQCFKSA-N 1 0 388.511 1.148 20 0 GDADRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000563007902 531797369 /nfs/dbraw/zinc/79/73/69/531797369.db2.gz OCEVYHKKLRPSPN-JIMOISOXSA-N 1 0 376.222 1.869 20 0 GDADRO C[NH2+]CCCNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000418275936 531818459 /nfs/dbraw/zinc/81/84/59/531818459.db2.gz DQNXKTAZCBICBN-NSHDSACASA-N 1 0 376.270 1.648 20 0 GDADRO C[C@H](CNC(=O)c1cc(Br)cc2c1OCCO2)N1CC[NH+](C)CC1 ZINC000668694719 531803429 /nfs/dbraw/zinc/80/34/29/531803429.db2.gz HVEQFJJDJJWAES-GFCCVEGCSA-N 1 0 398.301 1.586 20 0 GDADRO C[C@H]1CN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000418147277 531804717 /nfs/dbraw/zinc/80/47/17/531804717.db2.gz LWTLIYFXXUYMPF-JSGCOSHPSA-N 1 0 388.921 1.387 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCC[NH2+]C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000563109458 531806432 /nfs/dbraw/zinc/80/64/32/531806432.db2.gz KCGUCMTYQODTSV-KOLCDFICSA-N 1 0 380.242 1.302 20 0 GDADRO Cc1ncc(S(=O)(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)s1 ZINC000269928273 531807206 /nfs/dbraw/zinc/80/72/06/531807206.db2.gz CKUXTJXCYTVHMJ-UHFFFAOYSA-N 1 0 381.523 1.887 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418158429 531808446 /nfs/dbraw/zinc/80/84/46/531808446.db2.gz PSWRSZWUGZZDLQ-GXFFZTMASA-N 1 0 392.884 1.055 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418159025 531808768 /nfs/dbraw/zinc/80/87/68/531808768.db2.gz QSYXGMRGMBXGLI-HNNXBMFYSA-N 1 0 392.884 1.138 20 0 GDADRO CC1(NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC[NH2+]CC1 ZINC000418167288 531809817 /nfs/dbraw/zinc/80/98/17/531809817.db2.gz KCMHWPQSDUNSPA-UHFFFAOYSA-N 1 0 392.884 1.199 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000563126175 531809864 /nfs/dbraw/zinc/80/98/64/531809864.db2.gz QEVQACAQFNVQKJ-ZJUUUORDSA-N 1 0 377.894 1.455 20 0 GDADRO O=S(=O)(NCCCN1CC[NH2+]CC1)c1cccc(Br)c1Cl ZINC000515486571 531811638 /nfs/dbraw/zinc/81/16/38/531811638.db2.gz BDAAJFOMIARSHL-UHFFFAOYSA-N 1 0 396.738 1.676 20 0 GDADRO C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccccc1I ZINC000453269529 531812012 /nfs/dbraw/zinc/81/20/12/531812012.db2.gz CQUVGEIMHKVWTD-GWCFXTLKSA-N 1 0 395.262 1.491 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418177736 531812775 /nfs/dbraw/zinc/81/27/75/531812775.db2.gz WFHVCHCYWCIXIR-LBPRGKRZSA-N 1 0 392.884 1.151 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000453365514 531813723 /nfs/dbraw/zinc/81/37/23/531813723.db2.gz MATLKAVFHLBQSN-CHWSQXEVSA-N 1 0 394.306 1.906 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)c(F)cc1Cl ZINC000367151751 531813901 /nfs/dbraw/zinc/81/39/01/531813901.db2.gz QTXZHXGXTPTUSQ-AOOOYVTPSA-N 1 0 376.837 1.448 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCCNC(=O)NC[C@H](C)[NH3+])c1 ZINC000669472383 531814186 /nfs/dbraw/zinc/81/41/86/531814186.db2.gz YAFMOSDCHPRKKC-JTQLQIEISA-N 1 0 387.278 1.224 20 0 GDADRO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)Oc1ccc(Br)cc1 ZINC000669506251 531814640 /nfs/dbraw/zinc/81/46/40/531814640.db2.gz BALCYIGCMOCLBC-DOMZBBRYSA-N 1 0 386.290 1.894 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CC[C@@H](F)C2)c(C)c[nH+]1 ZINC000515870353 531815286 /nfs/dbraw/zinc/81/52/86/531815286.db2.gz WMPOSCNKFZLCEM-KGLIPLIRSA-N 1 0 393.506 1.062 20 0 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COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2CC[NH2+]CC2)c1OC ZINC000564958381 531871269 /nfs/dbraw/zinc/87/12/69/531871269.db2.gz HYKFODPNFBFCAV-UHFFFAOYSA-N 1 0 376.862 1.413 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000564957933 531871355 /nfs/dbraw/zinc/87/13/55/531871355.db2.gz CQIVGLOPYYOLKD-LBPRGKRZSA-N 1 0 377.894 1.312 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418953366 531871748 /nfs/dbraw/zinc/87/17/48/531871748.db2.gz RQGUCBHXCFOHMO-CYBMUJFWSA-N 1 0 398.301 1.450 20 0 GDADRO COC[C@H](CCO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000564975625 531872534 /nfs/dbraw/zinc/87/25/34/531872534.db2.gz NUHFXLCNCUHYMW-NWDGAFQWSA-N 1 0 382.682 1.829 20 0 GDADRO O=C(C[C@@H]1COCC[NH2+]1)NCc1cc(Cl)ccc1I ZINC000595255586 531873078 /nfs/dbraw/zinc/87/30/78/531873078.db2.gz FWFVXDVZXGVRNS-LLVKDONJSA-N 1 0 394.640 1.939 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@H](C)[NH2+]1 ZINC000418974213 531873681 /nfs/dbraw/zinc/87/36/81/531873681.db2.gz PEEKYWVRYILZDU-AOOOYVTPSA-N 1 0 394.273 1.150 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000418983428 531875269 /nfs/dbraw/zinc/87/52/69/531875269.db2.gz CDZPVRWWRMRHTM-RRFJBIMHSA-N 1 0 394.313 1.878 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Br)c(C)c2)[C@H](C[NH3+])C1 ZINC000418991251 531875330 /nfs/dbraw/zinc/87/53/30/531875330.db2.gz MFNXTFXFOIWNJM-UONOGXRCSA-N 1 0 398.301 1.338 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418978306 531875370 /nfs/dbraw/zinc/87/53/70/531875370.db2.gz VZQVEEHFECPJSS-VHSXEESVSA-N 1 0 394.273 1.137 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N(C)[C@@H]2CCC[NH2+]CC2)ccc1Br ZINC000418984471 531875868 /nfs/dbraw/zinc/87/58/68/531875868.db2.gz DSGZRXDLYLHROL-CQSZACIVSA-N 1 0 382.302 1.974 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000566058262 531876629 /nfs/dbraw/zinc/87/66/29/531876629.db2.gz PPAJADIHIFBKDO-LSDHHAIUSA-N 1 0 379.507 1.706 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])ccc1Br ZINC000418993854 531877466 /nfs/dbraw/zinc/87/74/66/531877466.db2.gz PUAINRRBNGZAAO-IAQYHMDHSA-N 1 0 382.302 1.960 20 0 GDADRO Cc1cc(CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1Br ZINC000419000297 531877799 /nfs/dbraw/zinc/87/77/99/531877799.db2.gz XXQCRGYJLMIVDZ-KRWDZBQOSA-N 1 0 382.302 1.880 20 0 GDADRO CC(C)[C@H]1CN(C(=O)Nc2nnc3ccc(Br)cn32)CC[N@@H+]1C ZINC000455755055 531878102 /nfs/dbraw/zinc/87/81/02/531878102.db2.gz LKMPFNIUWKLLNE-GFCCVEGCSA-N 1 0 381.278 2.296 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCC[NH+](C)C ZINC000298339881 531878324 /nfs/dbraw/zinc/87/83/24/531878324.db2.gz XMRNMLNERBAIGK-AWEZNQCLSA-N 1 0 391.534 1.294 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)s2)c1 ZINC000566108713 531879811 /nfs/dbraw/zinc/87/98/11/531879811.db2.gz ZBCUFUDVJVCYGM-LLVKDONJSA-N 1 0 390.914 1.887 20 0 GDADRO CC(C)NS(=O)(=O)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000283628394 531880667 /nfs/dbraw/zinc/88/06/67/531880667.db2.gz BGRGZGNXLUCTSS-HNNXBMFYSA-N 1 0 390.937 1.570 20 0 GDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(Br)cc2)C1 ZINC000283648179 531881583 /nfs/dbraw/zinc/88/15/83/531881583.db2.gz VCPZVGDBWZXNOI-AWEZNQCLSA-N 1 0 382.302 1.913 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CCc2ccc(Br)cc2)C1 ZINC000419016872 531881865 /nfs/dbraw/zinc/88/18/65/531881865.db2.gz FNXUKDIIPIFYKC-SWLSCSKDSA-N 1 0 382.302 1.707 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000283645929 531881829 /nfs/dbraw/zinc/88/18/29/531881829.db2.gz UYDMRJMECKKCMJ-AWEZNQCLSA-N 1 0 382.302 1.866 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419027534 531883172 /nfs/dbraw/zinc/88/31/72/531883172.db2.gz WCLQVVFDIZZNLB-XHDPSFHLSA-N 1 0 382.302 1.740 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000419033487 531884243 /nfs/dbraw/zinc/88/42/43/531884243.db2.gz CNBVFBAZNYCDSR-OLZOCXBDSA-N 1 0 382.258 1.242 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C[N@H+](CC(C)(C)O)C2CCOCC2)s1 ZINC000564881399 531869401 /nfs/dbraw/zinc/86/94/01/531869401.db2.gz XCTUJOZGRJCDKH-UHFFFAOYSA-N 1 0 376.544 1.750 20 0 GDADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)CN(C)C3CC3)nc12 ZINC000564873323 531869892 /nfs/dbraw/zinc/86/98/92/531869892.db2.gz NAUMBEINQPFICL-MRXNPFEDSA-N 1 0 381.318 1.992 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Br)c(C)nc1OC ZINC000566688053 531891331 /nfs/dbraw/zinc/89/13/31/531891331.db2.gz SLLPWBSIVPTRFY-LBPRGKRZSA-N 1 0 388.306 1.984 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1c[nH]c2ncc(Br)cc12 ZINC000298494912 531893157 /nfs/dbraw/zinc/89/31/57/531893157.db2.gz GKQBCGNPIGTNTG-LBPRGKRZSA-N 1 0 381.274 1.902 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419055624 531894036 /nfs/dbraw/zinc/89/40/36/531894036.db2.gz OPSKHXHGPWIVRF-OTYXRUKQSA-N 1 0 386.265 1.489 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000595963348 531899601 /nfs/dbraw/zinc/89/96/01/531899601.db2.gz LBHPOHPMZCALED-NEPJUHHUSA-N 1 0 394.640 1.925 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1sccc1S(=O)(=O)N1CCCC1 ZINC000298507260 531895071 /nfs/dbraw/zinc/89/50/71/531895071.db2.gz QIKCBKYIXAVIJV-KBPBESRZSA-N 1 0 383.539 1.889 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000419058191 531895264 /nfs/dbraw/zinc/89/52/64/531895264.db2.gz VXDHJCLUNYNDKJ-KYOSRNDESA-N 1 0 382.302 1.740 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419056374 531895306 /nfs/dbraw/zinc/89/53/06/531895306.db2.gz QZQVKPXFLLXGCM-VHSXEESVSA-N 1 0 388.693 1.928 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)CC[NH2+]1 ZINC000419065821 531896604 /nfs/dbraw/zinc/89/66/04/531896604.db2.gz IZWBLLPMBQFISM-TVQRCGJNSA-N 1 0 388.693 1.975 20 0 GDADRO CC(C)(CNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)NS(C)(=O)=O ZINC000625439132 531897351 /nfs/dbraw/zinc/89/73/51/531897351.db2.gz CRUWVFJZPQWZHD-OAHLLOKOSA-N 1 0 387.933 1.748 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)C[C@@H]1[NH+](C)C ZINC000270581600 531897573 /nfs/dbraw/zinc/89/75/73/531897573.db2.gz QWGQPZTZZVFZLD-GJZGRUSLSA-N 1 0 375.491 1.450 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Br)cn2)CC12CCOCC2 ZINC000567588054 531898285 /nfs/dbraw/zinc/89/82/85/531898285.db2.gz IOGIXEWTIYZKSP-NSHDSACASA-N 1 0 390.303 1.220 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419074996 531898287 /nfs/dbraw/zinc/89/82/87/531898287.db2.gz FNEOJJOCYRHFFS-WFASDCNBSA-N 1 0 394.313 1.711 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000368161335 531898609 /nfs/dbraw/zinc/89/86/09/531898609.db2.gz JDAVSSLOMSYBJP-ZSHCYNCHSA-N 1 0 377.491 1.174 20 0 GDADRO O=C(NCCSCc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419103205 531899204 /nfs/dbraw/zinc/89/92/04/531899204.db2.gz ZYWKBTBWGXMWJD-GFCCVEGCSA-N 1 0 376.309 1.821 20 0 GDADRO O=C(N[C@H]1CCOc2c(Br)cccc21)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419032971 531884622 /nfs/dbraw/zinc/88/46/22/531884622.db2.gz BSMJKNFSOCCYCC-SWHYSGLUSA-N 1 0 394.269 1.209 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419036439 531885920 /nfs/dbraw/zinc/88/59/20/531885920.db2.gz GYIYYFKJUKJMRB-MFKMUULPSA-N 1 0 382.258 1.257 20 0 GDADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419036767 531886012 /nfs/dbraw/zinc/88/60/12/531886012.db2.gz HAJHLQOELGKZOT-BXUZGUMPSA-N 1 0 396.285 1.647 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CCCO1 ZINC000419099249 531899456 /nfs/dbraw/zinc/89/94/56/531899456.db2.gz IBBNGNFSSFVFOV-NSHDSACASA-N 1 0 382.873 1.142 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000419043262 531888471 /nfs/dbraw/zinc/88/84/71/531888471.db2.gz NGGONBIBXDYWJJ-UHFFFAOYSA-N 1 0 375.803 1.768 20 0 GDADRO CCCN(C(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)[C@H]1CC[NH2+]C1 ZINC000419046602 531890107 /nfs/dbraw/zinc/89/01/07/531890107.db2.gz WAKKZLJPUVPYCQ-ZJUUUORDSA-N 1 0 378.420 1.940 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419046149 531890119 /nfs/dbraw/zinc/89/01/19/531890119.db2.gz XUVAXDYIZQPOPE-COPLHBTASA-N 1 0 396.285 1.585 20 0 GDADRO O=C(NCc1cccc(Br)c1Cl)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419049502 531890906 /nfs/dbraw/zinc/89/09/06/531890906.db2.gz BXFYLUWYSULMDG-SKDRFNHKSA-N 1 0 386.677 1.539 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419151965 531906020 /nfs/dbraw/zinc/90/60/20/531906020.db2.gz MYOKXXBWHNNZIE-AWEZNQCLSA-N 1 0 398.301 1.375 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccccc3Br)C[C@@H]21 ZINC000419153447 531906033 /nfs/dbraw/zinc/90/60/33/531906033.db2.gz WAVLIPODQYCWRS-VNHYZAJKSA-N 1 0 380.286 1.651 20 0 GDADRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000596067620 531906864 /nfs/dbraw/zinc/90/68/64/531906864.db2.gz OCEVYHKKLRPSPN-XDTLVQLUSA-N 1 0 376.222 1.869 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1Br ZINC000419162628 531906944 /nfs/dbraw/zinc/90/69/44/531906944.db2.gz HNWRUDSKEYDKPR-SMDDNHRTSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2cc(F)ccc2Br)CC1 ZINC000419163097 531907064 /nfs/dbraw/zinc/90/70/64/531907064.db2.gz VVIPRQBBAZPVGI-SNVBAGLBSA-N 1 0 386.265 1.790 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3cc(F)ccc3Br)C[C@@H]21 ZINC000419163271 531907068 /nfs/dbraw/zinc/90/70/68/531907068.db2.gz VZYMUZPEMHAGAQ-VZJVUDMVSA-N 1 0 398.276 1.790 20 0 GDADRO O=C(c1ccc(F)cc1I)N1CCOC2(C[NH2+]C2)C1 ZINC000596099255 531907365 /nfs/dbraw/zinc/90/73/65/531907365.db2.gz QPPBTMRDCRXNJU-UHFFFAOYSA-N 1 0 376.169 1.245 20 0 GDADRO CN(C(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000419163042 531907451 /nfs/dbraw/zinc/90/74/51/531907451.db2.gz ITPZMAUSPKTGHX-UHFFFAOYSA-N 1 0 388.295 1.837 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419162290 531907640 /nfs/dbraw/zinc/90/76/40/531907640.db2.gz UEWJBJGTPRPKRW-UHFFFAOYSA-N 1 0 382.180 1.420 20 0 GDADRO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368376318 531908143 /nfs/dbraw/zinc/90/81/43/531908143.db2.gz LZQBBAKMVYEKEG-TUKIKUTGSA-N 1 0 378.270 1.622 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000419171363 531908372 /nfs/dbraw/zinc/90/83/72/531908372.db2.gz XNDRDBXXKXRYGS-ABAIWWIYSA-N 1 0 388.295 1.822 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000648139554 531908574 /nfs/dbraw/zinc/90/85/74/531908574.db2.gz ZORCJJDXVZZGEM-GHMZBOCLSA-N 1 0 392.308 1.340 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000419167942 531908699 /nfs/dbraw/zinc/90/86/99/531908699.db2.gz DSGFKERGJITMGL-NSHDSACASA-N 1 0 386.265 1.457 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000648141100 531908945 /nfs/dbraw/zinc/90/89/45/531908945.db2.gz AFIYAYWPQVCVKV-IUCAKERBSA-N 1 0 384.260 1.088 20 0 GDADRO COCC[NH2+]CCNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000568510951 531909735 /nfs/dbraw/zinc/90/97/35/531909735.db2.gz IYQPFCCILJZOMD-UHFFFAOYSA-N 1 0 385.711 1.758 20 0 GDADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419187449 531910174 /nfs/dbraw/zinc/91/01/74/531910174.db2.gz NKWIQIRLATYFAY-KGLIPLIRSA-N 1 0 395.301 1.012 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000648589308 531914251 /nfs/dbraw/zinc/91/42/51/531914251.db2.gz MMXOACSICAGUQK-VXGBXAGGSA-N 1 0 398.301 1.660 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1Br ZINC000419189536 531910718 /nfs/dbraw/zinc/91/07/18/531910718.db2.gz PTKRKJCHRAQDHS-LBPRGKRZSA-N 1 0 382.302 1.793 20 0 GDADRO O=C(NCCc1ccccc1Br)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419198683 531911724 /nfs/dbraw/zinc/91/17/24/531911724.db2.gz CDEGHJOBDNHIBX-OKILXGFUSA-N 1 0 380.286 1.461 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419192007 531911910 /nfs/dbraw/zinc/91/19/10/531911910.db2.gz OKQCJLPBJLZJRK-CABCVRRESA-N 1 0 380.286 1.461 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000419195040 531912226 /nfs/dbraw/zinc/91/22/26/531912226.db2.gz UHGZYIZWLCRMGH-GXTWGEPZSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000419205986 531912740 /nfs/dbraw/zinc/91/27/40/531912740.db2.gz LYWCOWRKHRBIDB-TZMCWYRMSA-N 1 0 382.302 1.612 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419204434 531913107 /nfs/dbraw/zinc/91/31/07/531913107.db2.gz IXLZKCWWFAKEKJ-UHFFFAOYSA-N 1 0 384.274 1.284 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000648589307 531913220 /nfs/dbraw/zinc/91/32/20/531913220.db2.gz MMXOACSICAGUQK-RYUDHWBXSA-N 1 0 398.301 1.660 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419207396 531913309 /nfs/dbraw/zinc/91/33/09/531913309.db2.gz OSKRVLUFQBUKMW-AAEUAGOBSA-N 1 0 396.285 1.142 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419207550 531913406 /nfs/dbraw/zinc/91/34/06/531913406.db2.gz PDMCIPOHLGEZCJ-MFKMUULPSA-N 1 0 384.274 1.188 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)C[C@@H]21 ZINC000368481810 531914023 /nfs/dbraw/zinc/91/40/23/531914023.db2.gz JNENVGXHCOVTDG-AEGPPILISA-N 1 0 380.286 1.765 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)s2)cs1 ZINC000419086507 531899843 /nfs/dbraw/zinc/89/98/43/531899843.db2.gz XTFCZXLLKKNWSB-LBPRGKRZSA-N 1 0 378.523 1.646 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000647863969 531900104 /nfs/dbraw/zinc/90/01/04/531900104.db2.gz OCZLOOGQTHLBRX-SMDDNHRTSA-N 1 0 377.304 1.271 20 0 GDADRO C[S@@](=O)C1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000567606057 531900240 /nfs/dbraw/zinc/90/02/40/531900240.db2.gz SLAJDIMIDMTZNH-XUSGNXJCSA-N 1 0 380.279 1.829 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000567597751 531900304 /nfs/dbraw/zinc/90/03/04/531900304.db2.gz SMSBCBLBTWSJJE-CYBMUJFWSA-N 1 0 394.313 1.794 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000368223427 531900876 /nfs/dbraw/zinc/90/08/76/531900876.db2.gz ACJNOBMDEMXZSX-AWEZNQCLSA-N 1 0 377.551 1.939 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1F ZINC000647888806 531901050 /nfs/dbraw/zinc/90/10/50/531901050.db2.gz OLNVXTYTDAAJLU-IAQYHMDHSA-N 1 0 393.506 1.300 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000419103508 531901702 /nfs/dbraw/zinc/90/17/02/531901702.db2.gz RZCFJQQJQPTIDG-QMTHXVAHSA-N 1 0 386.279 1.592 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000647907901 531902058 /nfs/dbraw/zinc/90/20/58/531902058.db2.gz MUYYKCBXFVWGGD-WHOFXGATSA-N 1 0 385.917 1.741 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419131334 531902277 /nfs/dbraw/zinc/90/22/77/531902277.db2.gz GQSHYYAFYCFWCK-UHFFFAOYSA-N 1 0 376.284 1.946 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419136560 531902668 /nfs/dbraw/zinc/90/26/68/531902668.db2.gz PJNIOFAXQPDFDY-ZDUSSCGKSA-N 1 0 376.284 1.978 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1 ZINC000419144918 531904295 /nfs/dbraw/zinc/90/42/95/531904295.db2.gz HBKWLIVYGYDEAM-SMDDNHRTSA-N 1 0 384.274 1.121 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C[NH2+]1 ZINC000625885909 531917210 /nfs/dbraw/zinc/91/72/10/531917210.db2.gz WKNLWYIAXRASTB-NWDGAFQWSA-N 1 0 398.305 1.943 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000568763637 531917306 /nfs/dbraw/zinc/91/73/06/531917306.db2.gz XSIVIXFGVSETKC-VXGBXAGGSA-N 1 0 389.315 1.809 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)[C@@H](C)C[NH2+]1 ZINC000419254098 531917440 /nfs/dbraw/zinc/91/74/40/531917440.db2.gz VDNLPRITCYRWMN-GBIKHYSHSA-N 1 0 398.326 1.921 20 0 GDADRO COc1c(Br)ccc(F)c1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000648923781 531918104 /nfs/dbraw/zinc/91/81/04/531918104.db2.gz SLQBCQCZSVXOQL-UHFFFAOYSA-N 1 0 375.238 1.783 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000419258007 531919337 /nfs/dbraw/zinc/91/93/37/531919337.db2.gz JGKWBVJDXGROTH-YPMHNXCESA-N 1 0 384.274 1.201 20 0 GDADRO [NH3+]C1(CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CCC1 ZINC000569093977 531919384 /nfs/dbraw/zinc/91/93/84/531919384.db2.gz BXRAWNYIIRVWHW-ZDUSSCGKSA-N 1 0 381.274 1.513 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCOc2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000419259013 531919838 /nfs/dbraw/zinc/91/98/38/531919838.db2.gz KIRBKFHZHVOEQP-RYUDHWBXSA-N 1 0 384.274 1.153 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000419263004 531919900 /nfs/dbraw/zinc/91/99/00/531919900.db2.gz UVJCSOVKVRVBEO-GFCCVEGCSA-N 1 0 398.301 1.530 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CC1 ZINC000679044672 531921476 /nfs/dbraw/zinc/92/14/76/531921476.db2.gz UCMSJADDZFJBFX-CABCVRRESA-N 1 0 380.432 1.535 20 0 GDADRO O=C(NCCc1nc2cc(Cl)ccc2s1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419336968 531924491 /nfs/dbraw/zinc/92/44/91/531924491.db2.gz QDSAWUUEKSAUKE-LBPRGKRZSA-N 1 0 380.901 1.867 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)[C@@H](C)C[NH2+]1 ZINC000419340394 531924885 /nfs/dbraw/zinc/92/48/85/531924885.db2.gz WTTHFXKPNJXIDV-QWRGUYRKSA-N 1 0 380.901 1.817 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](CO)[C@H]1CCOC1)c1cccc(Br)c1 ZINC000569485911 531924900 /nfs/dbraw/zinc/92/49/00/531924900.db2.gz OPICSACGCBRVCC-QWHCGFSZSA-N 1 0 392.315 1.457 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419348248 531927041 /nfs/dbraw/zinc/92/70/41/531927041.db2.gz ASHWHUHXZNIUGT-NSHDSACASA-N 1 0 384.274 1.190 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419331158 531925399 /nfs/dbraw/zinc/92/53/99/531925399.db2.gz JAINFUYPGWGGFF-GFCCVEGCSA-N 1 0 380.901 1.948 20 0 GDADRO CCOc1ncc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000568741825 531914888 /nfs/dbraw/zinc/91/48/88/531914888.db2.gz JFMALRLSBREVHV-LBPRGKRZSA-N 1 0 380.798 1.700 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)C[C@H](C)n2cc(Br)cn2)CC1 ZINC000648824963 531915212 /nfs/dbraw/zinc/91/52/12/531915212.db2.gz NXPIMYDQCQIPHX-ZDUSSCGKSA-N 1 0 387.322 1.948 20 0 GDADRO O=S1(=O)CC[C@H](C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000625797363 531915459 /nfs/dbraw/zinc/91/54/59/531915459.db2.gz UVJKTZWNYDIZRJ-MLGOLLRUSA-N 1 0 388.327 1.693 20 0 GDADRO CN1CC(=O)N(CC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC000625797152 531915932 /nfs/dbraw/zinc/91/59/32/531915932.db2.gz QTRGFPUGYURUJE-QGZVFWFLSA-N 1 0 396.285 1.153 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000283981701 531916384 /nfs/dbraw/zinc/91/63/84/531916384.db2.gz JQUSPLQCOGHRNC-HNNXBMFYSA-N 1 0 396.329 1.908 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C[NH2+]1 ZINC000625885911 531916792 /nfs/dbraw/zinc/91/67/92/531916792.db2.gz WKNLWYIAXRASTB-VXGBXAGGSA-N 1 0 398.305 1.943 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1nn(C)cc1I ZINC000456499394 531916878 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20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419989494 531993203 /nfs/dbraw/zinc/99/32/03/531993203.db2.gz BDCCVWSTZXQYMI-ZDUSSCGKSA-N 1 0 386.265 1.805 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419997243 531993990 /nfs/dbraw/zinc/99/39/90/531993990.db2.gz JTCXIBZRUUUSDX-CYBMUJFWSA-N 1 0 386.265 1.805 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]C1)CC2 ZINC000419855648 531979675 /nfs/dbraw/zinc/97/96/75/531979675.db2.gz HVFZPYBTBAMQEY-ZDUSSCGKSA-N 1 0 394.313 1.758 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000419878495 531980661 /nfs/dbraw/zinc/98/06/61/531980661.db2.gz JEJDYDFLQJKDOP-HUUCEWRRSA-N 1 0 395.301 1.330 20 0 GDADRO CO[C@H](CS(=O)(=O)NCCN1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000656929056 531980798 /nfs/dbraw/zinc/98/07/98/531980798.db2.gz UVCAVNHLVLTHDC-GOSISDBHSA-N 1 0 375.579 1.527 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000271212365 531981873 /nfs/dbraw/zinc/98/18/73/531981873.db2.gz MFEOBAGJNVBKMJ-UHFFFAOYSA-N 1 0 386.905 1.730 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000573367645 531982161 /nfs/dbraw/zinc/98/21/61/531982161.db2.gz KPXNBDNNWJVYPJ-JQWIXIFHSA-N 1 0 394.269 1.644 20 0 GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419887498 531982310 /nfs/dbraw/zinc/98/23/10/531982310.db2.gz QLNJSEBOHIUOHT-STQMWFEESA-N 1 0 380.286 1.591 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000419893930 531982544 /nfs/dbraw/zinc/98/25/44/531982544.db2.gz KRPOGASBZHWJAR-CQSZACIVSA-N 1 0 383.290 1.188 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000419897084 531983892 /nfs/dbraw/zinc/98/38/92/531983892.db2.gz YPULOXMVBXJYRT-UWVGGRQHSA-N 1 0 376.404 1.346 20 0 GDADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1CN(C)CCO1)C2 ZINC000598545442 531985284 /nfs/dbraw/zinc/98/52/84/531985284.db2.gz SHRYHWAYCADKFK-SECBINFHSA-N 1 0 389.271 1.470 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419911603 531985481 /nfs/dbraw/zinc/98/54/81/531985481.db2.gz JXVKNSMOTYKZFV-QWHCGFSZSA-N 1 0 394.313 1.838 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN(C)CCNC(C)=O ZINC000573565340 531986467 /nfs/dbraw/zinc/98/64/67/531986467.db2.gz FIWWXXWWQZPYBW-LLVKDONJSA-N 1 0 386.290 1.530 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000573555853 531986758 /nfs/dbraw/zinc/98/67/58/531986758.db2.gz MULFNXWUAODCLG-CQSZACIVSA-N 1 0 396.285 1.381 20 0 GDADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NCC2C[NH2+]C2)ccc1Br ZINC000419930029 531988304 /nfs/dbraw/zinc/98/83/04/531988304.db2.gz XCIRDEZJVGKHMF-OAHLLOKOSA-N 1 0 380.286 1.757 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000419940760 531988817 /nfs/dbraw/zinc/98/88/17/531988817.db2.gz VEUWCSRYXDKDMB-OAHLLOKOSA-N 1 0 380.286 1.592 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000419949866 531989267 /nfs/dbraw/zinc/98/92/67/531989267.db2.gz LRQGOUHPWLALNW-RYUDHWBXSA-N 1 0 382.302 1.694 20 0 GDADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420034205 531997855 /nfs/dbraw/zinc/99/78/55/531997855.db2.gz XJDHDDFCTNORCU-GXFFZTMASA-N 1 0 384.274 1.585 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420024495 531998352 /nfs/dbraw/zinc/99/83/52/531998352.db2.gz ALJXQDDEJIRITH-ZUZCIYMTSA-N 1 0 380.286 1.576 20 0 GDADRO O=C(CCN1C(=O)COc2cc(Br)ccc21)NC[C@H]1CCC[NH2+]1 ZINC000370585621 531995460 /nfs/dbraw/zinc/99/54/60/531995460.db2.gz WNOYRNZAYOBYFI-GFCCVEGCSA-N 1 0 382.258 1.433 20 0 GDADRO C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420041799 531999523 /nfs/dbraw/zinc/99/95/23/531999523.db2.gz CPJQOSSCATVSSA-SMDDNHRTSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000420047613 531999744 /nfs/dbraw/zinc/99/97/44/531999744.db2.gz WNOISBIVVPEWKK-BXUZGUMPSA-N 1 0 398.301 1.637 20 0 GDADRO CCc1ncc(S(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657087312 532000584 /nfs/dbraw/zinc/00/05/84/532000584.db2.gz XZQYRTRHZIUGOB-OAHLLOKOSA-N 1 0 381.523 1.751 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)CCC1 ZINC000420089509 532000792 /nfs/dbraw/zinc/00/07/92/532000792.db2.gz JSVMHACJIYURDX-UHFFFAOYSA-N 1 0 384.249 1.471 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000420078485 532001141 /nfs/dbraw/zinc/00/11/41/532001141.db2.gz PBYOZGICPYEVGV-UHFFFAOYSA-N 1 0 397.317 1.706 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCc2ccc(Br)cc2)CC[NH2+]1 ZINC000420133542 532004263 /nfs/dbraw/zinc/00/42/63/532004263.db2.gz TXIMTIRHSWLHKW-SWLSCSKDSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000420117904 532004520 /nfs/dbraw/zinc/00/45/20/532004520.db2.gz LZVIRMIKPRFCOO-IINYFYTJSA-N 1 0 386.265 1.661 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420130254 532004677 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1.797 20 0 GDADRO CCOC(=O)CSc1nnc(NC(=O)CCN2CC[NH+](CC)CC2)s1 ZINC000299604156 532007430 /nfs/dbraw/zinc/00/74/30/532007430.db2.gz FSLFJFQIDUKZLA-UHFFFAOYSA-N 1 0 387.531 1.159 20 0 GDADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000420167758 532007608 /nfs/dbraw/zinc/00/76/08/532007608.db2.gz PRNKHPRPGQAPAL-STQMWFEESA-N 1 0 382.555 1.654 20 0 GDADRO CCOc1cc(C[NH2+]CCS(=O)(=O)N2CCSCC2)cc(Cl)c1O ZINC000459397906 532012589 /nfs/dbraw/zinc/01/25/89/532012589.db2.gz HXZWFVDASUDHMT-UHFFFAOYSA-N 1 0 394.946 1.913 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1F ZINC000599216938 532012744 /nfs/dbraw/zinc/01/27/44/532012744.db2.gz WFPDVQMQMNKTBL-LLVKDONJSA-N 1 0 376.425 1.762 20 0 GDADRO CS[C@@H]1CN(C(=O)c2nccn3c(Br)cnc23)C[C@H]1[NH+](C)C ZINC000271416029 532013022 /nfs/dbraw/zinc/01/30/22/532013022.db2.gz YNQSMNFTTMKINB-NXEZZACHSA-N 1 0 384.303 1.609 20 0 GDADRO COc1ccsc1S(=O)(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371216979 532013889 /nfs/dbraw/zinc/01/38/89/532013889.db2.gz VTXPBGIICHTVPL-UHFFFAOYSA-N 1 0 387.571 1.936 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000420452144 532016178 /nfs/dbraw/zinc/01/61/78/532016178.db2.gz CCCLNBNIDUWARU-OAHLLOKOSA-N 1 0 383.495 1.244 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000271453841 532016200 /nfs/dbraw/zinc/01/62/00/532016200.db2.gz IRCGMDQPFPJIGG-CQSZACIVSA-N 1 0 389.949 1.994 20 0 GDADRO COC(=O)[C@@H](C)CS(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000576165341 532018414 /nfs/dbraw/zinc/01/84/14/532018414.db2.gz ALVJDOMGGDVSDB-JSGCOSHPSA-N 1 0 376.906 1.714 20 0 GDADRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000271465965 532017809 /nfs/dbraw/zinc/01/78/09/532017809.db2.gz IGZPZGXJFWFNHK-KAEOHJDDSA-N 1 0 388.555 1.515 20 0 GDADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CCOC2(C[NH2+]C2)C1 ZINC000576254566 532019998 /nfs/dbraw/zinc/01/99/98/532019998.db2.gz OMFZAXOTDVWQKL-GFCCVEGCSA-N 1 0 384.299 1.980 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)c1OC ZINC000420471185 532020616 /nfs/dbraw/zinc/02/06/16/532020616.db2.gz XZKHQIDUCMBNLY-VIFPVBQESA-N 1 0 386.804 1.396 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)[C@@H]1SC ZINC000459527758 532020667 /nfs/dbraw/zinc/02/06/67/532020667.db2.gz KNPNAZINFDTRJI-GUTXKFCHSA-N 1 0 380.482 1.742 20 0 GDADRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)N(C)C ZINC000459534980 532020794 /nfs/dbraw/zinc/02/07/94/532020794.db2.gz JHEPFIYTYYMDTQ-GFCCVEGCSA-N 1 0 376.910 1.351 20 0 GDADRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 ZINC000420470690 532020828 /nfs/dbraw/zinc/02/08/28/532020828.db2.gz NONLTRVCGKPRNQ-UHFFFAOYSA-N 1 0 381.495 1.206 20 0 GDADRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000420467548 532020982 /nfs/dbraw/zinc/02/09/82/532020982.db2.gz DIQCOVHPGIZGBA-UHFFFAOYSA-N 1 0 375.560 1.683 20 0 GDADRO CC[C@@H](C)C[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271490564 532021204 /nfs/dbraw/zinc/02/12/04/532021204.db2.gz ZOJMDDSMQNJSAU-CYBMUJFWSA-N 1 0 378.516 1.427 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCO1)c1cc(Cl)c(Br)cc1F ZINC000420479989 532022239 /nfs/dbraw/zinc/02/22/39/532022239.db2.gz OACXKYDULRRYLU-ZETCQYMHSA-N 1 0 387.658 1.508 20 0 GDADRO NS(=O)(=O)CC1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000299705155 532022285 /nfs/dbraw/zinc/02/22/85/532022285.db2.gz PLXSEWQGPTYVSL-UHFFFAOYSA-N 1 0 384.889 1.933 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000271539670 532025032 /nfs/dbraw/zinc/02/50/32/532025032.db2.gz HNIHGDUYZSMMMI-UHFFFAOYSA-N 1 0 390.893 1.106 20 0 GDADRO Cn1nccc1[C@H](CO)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000459760243 532026803 /nfs/dbraw/zinc/02/68/03/532026803.db2.gz QHDHJCVDGJOQEC-KBPBESRZSA-N 1 0 379.258 1.611 20 0 GDADRO CN(CC(=O)N(C1CC1)C1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000372026238 532027402 /nfs/dbraw/zinc/02/74/02/532027402.db2.gz PGCXLELGMPJEBH-UHFFFAOYSA-N 1 0 385.917 1.704 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000576703425 532027748 /nfs/dbraw/zinc/02/77/48/532027748.db2.gz SCTLMPOMXLHMBZ-BDAKNGLRSA-N 1 0 398.312 1.474 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000285071975 532026682 /nfs/dbraw/zinc/02/66/82/532026682.db2.gz OPUUDDDPSYLKQK-SDDRHHMPSA-N 1 0 385.559 1.359 20 0 GDADRO Cc1ccc(O[C@@H](C)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000599335998 532030143 /nfs/dbraw/zinc/03/01/43/532030143.db2.gz RJKGOMWEWWLXOP-KBPBESRZSA-N 1 0 384.318 1.887 20 0 GDADRO [NH3+]C1(CNC(=O)c2sccc2S(=O)(=O)NCc2cccs2)CCC1 ZINC000576945261 532030627 /nfs/dbraw/zinc/03/06/27/532030627.db2.gz WHKCRQWPZJMYDN-UHFFFAOYSA-N 1 0 385.536 1.899 20 0 GDADRO CCC[C@@H](C)[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271610303 532030792 /nfs/dbraw/zinc/03/07/92/532030792.db2.gz AQBUWEHZVOGFHD-CYBMUJFWSA-N 1 0 378.516 1.569 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000459857339 532031693 /nfs/dbraw/zinc/03/16/93/532031693.db2.gz VBJRGDJXZJTIKC-DZGCQCFKSA-N 1 0 380.286 1.570 20 0 GDADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)CC1 ZINC000577397543 532035690 /nfs/dbraw/zinc/03/56/90/532035690.db2.gz WSQPFBMHFKTCGE-CQSZACIVSA-N 1 0 382.555 1.608 20 0 GDADRO O=C(Cc1cccc(Br)c1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372609563 532036348 /nfs/dbraw/zinc/03/63/48/532036348.db2.gz ZXRMTJSOXRKDMG-QGZVFWFLSA-N 1 0 396.329 1.514 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000460273548 532042533 /nfs/dbraw/zinc/04/25/33/532042533.db2.gz CQRUHBUDTOGXJD-WMLDXEAASA-N 1 0 397.317 1.394 20 0 GDADRO CN(CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000632856978 532043150 /nfs/dbraw/zinc/04/31/50/532043150.db2.gz QCZIIOHLVOXIFF-BBRMVZONSA-N 1 0 385.917 1.561 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000578379618 532045613 /nfs/dbraw/zinc/04/56/13/532045613.db2.gz DRXUYFBWHUJFTK-YOEHRIQHSA-N 1 0 383.286 1.778 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CCN2C1=O ZINC000577963530 532044210 /nfs/dbraw/zinc/04/42/10/532044210.db2.gz DIUGVMYANFKBOT-GXTWGEPZSA-N 1 0 381.267 1.318 20 0 GDADRO C[C@H]1CN(C(=O)c2ccncc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372858841 532049192 /nfs/dbraw/zinc/04/91/92/532049192.db2.gz PMNUMOPHHVMMQI-XJKSGUPXSA-N 1 0 381.318 1.942 20 0 GDADRO C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600726432 532053290 /nfs/dbraw/zinc/05/32/90/532053290.db2.gz LGNMSUSEEYHSCO-IWSPIJDZSA-N 1 0 378.317 1.222 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634956207 532057589 /nfs/dbraw/zinc/05/75/89/532057589.db2.gz BPSLKVQWCUCQTP-HNNXBMFYSA-N 1 0 388.555 1.820 20 0 GDADRO O=C1[C@H]([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CCCN1CCO ZINC000634720443 532056266 /nfs/dbraw/zinc/05/62/66/532056266.db2.gz KFVFLYURZWPQCN-DZGCQCFKSA-N 1 0 377.268 1.306 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000285259687 532056395 /nfs/dbraw/zinc/05/63/95/532056395.db2.gz ZPLUSBRJUYBWOZ-AWEZNQCLSA-N 1 0 396.285 1.599 20 0 GDADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCn2cc(Br)cn2)c1 ZINC000271823859 532056986 /nfs/dbraw/zinc/05/69/86/532056986.db2.gz OFALUHJFFMEGMM-NSHDSACASA-N 1 0 387.303 1.905 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000579123564 532057030 /nfs/dbraw/zinc/05/70/30/532057030.db2.gz PKOKGTOVJCAPBV-UHFFFAOYSA-N 1 0 397.248 1.573 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000422332901 532059185 /nfs/dbraw/zinc/05/91/85/532059185.db2.gz BRHSFDADWMIAAL-JTQLQIEISA-N 1 0 378.420 1.719 20 0 GDADRO Ic1cnc(N2CCN(C[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000601325271 532061339 /nfs/dbraw/zinc/06/13/39/532061339.db2.gz BTKCHLDXYJNMSD-LBPRGKRZSA-N 1 0 387.269 1.203 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000320477448 532066848 /nfs/dbraw/zinc/06/68/48/532066848.db2.gz GLNNTJYNIUMJHX-RKDXNWHRSA-N 1 0 381.292 1.870 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3cc4c(cc3Br)CCC4)CCN2C1=O ZINC000579734703 532067318 /nfs/dbraw/zinc/06/73/18/532067318.db2.gz LYFOWZMELAHDRF-OCCSQVGLSA-N 1 0 393.285 1.714 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)n1 ZINC000373139259 532065650 /nfs/dbraw/zinc/06/56/50/532065650.db2.gz KHAIJTMHEUUZHT-NWDGAFQWSA-N 1 0 381.274 1.834 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(Br)n1 ZINC000285346095 532071050 /nfs/dbraw/zinc/07/10/50/532071050.db2.gz SZXVBNIDXRKXQG-NEPJUHHUSA-N 1 0 381.274 1.868 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000423093706 532071075 /nfs/dbraw/zinc/07/10/75/532071075.db2.gz ACRGZIVSOBPVHH-IUODEOHRSA-N 1 0 382.302 1.993 20 0 GDADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cc(O)ccc1Br)CCO2 ZINC000272059602 532073500 /nfs/dbraw/zinc/07/35/00/532073500.db2.gz NGMREDJSXRTYQD-WFASDCNBSA-N 1 0 390.299 1.981 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423105551 532072540 /nfs/dbraw/zinc/07/25/40/532072540.db2.gz QSLVCNYYRHRJOV-KRWDZBQOSA-N 1 0 382.302 1.995 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423459521 532074987 /nfs/dbraw/zinc/07/49/87/532074987.db2.gz RUCAFPROAYWAHC-GOEBONIOSA-N 1 0 394.313 1.926 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000285374696 532075577 /nfs/dbraw/zinc/07/55/77/532075577.db2.gz WCIDYWFGTOQXAT-TZMCWYRMSA-N 1 0 380.539 1.360 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000423200690 532074026 /nfs/dbraw/zinc/07/40/26/532074026.db2.gz GHUZTVWNKWWYIX-OAHLLOKOSA-N 1 0 398.301 1.417 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000324640795 532074034 /nfs/dbraw/zinc/07/40/34/532074034.db2.gz UKUHOQGSCVLVQW-HNNXBMFYSA-N 1 0 376.906 1.231 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000423231242 532074345 /nfs/dbraw/zinc/07/43/45/532074345.db2.gz ANDJCTABKXGVEA-STQMWFEESA-N 1 0 382.302 1.659 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1I ZINC000602332128 532074586 /nfs/dbraw/zinc/07/45/86/532074586.db2.gz JJJLKYFUWLNMED-QWRGUYRKSA-N 1 0 388.253 1.724 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423641203 532077524 /nfs/dbraw/zinc/07/75/24/532077524.db2.gz HLPYCGGINJSFPO-DGCLKSJQSA-N 1 0 386.279 1.923 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)C1 ZINC000423634256 532077722 /nfs/dbraw/zinc/07/77/22/532077722.db2.gz QJYMCRNVDPTUDZ-CABCVRRESA-N 1 0 394.313 1.647 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000423638359 532078137 /nfs/dbraw/zinc/07/81/37/532078137.db2.gz DPFYXQSIFBYVPF-CABCVRRESA-N 1 0 396.285 1.299 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC1 ZINC000423505130 532076599 /nfs/dbraw/zinc/07/65/99/532076599.db2.gz GNSMLWQORCESTK-UHFFFAOYSA-N 1 0 394.313 1.792 20 0 GDADRO C[S@](=O)C1(C(=O)NCc2ccccc2OCC(F)(F)F)CC[NH2+]CC1 ZINC000602445588 532076700 /nfs/dbraw/zinc/07/67/00/532076700.db2.gz RIHMLOCNWYHFIY-VWLOTQADSA-N 1 0 378.416 1.745 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000423513637 532076929 /nfs/dbraw/zinc/07/69/29/532076929.db2.gz VMBGVHAIVXZJQR-NSHDSACASA-N 1 0 384.274 1.223 20 0 GDADRO COc1ccc(CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)cc1OC(F)F ZINC000602442866 532077198 /nfs/dbraw/zinc/07/71/98/532077198.db2.gz OPLFTNORSIAPCK-VWLOTQADSA-N 1 0 376.425 1.414 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)s1 ZINC000285408653 532079138 /nfs/dbraw/zinc/07/91/38/532079138.db2.gz UQIBLVLHACTEHL-NWDGAFQWSA-N 1 0 388.511 1.791 20 0 GDADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423710583 532079451 /nfs/dbraw/zinc/07/94/51/532079451.db2.gz PWYMRYHJHAEDGR-OAHLLOKOSA-N 1 0 398.301 1.026 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000373426561 532079862 /nfs/dbraw/zinc/07/98/62/532079862.db2.gz MVTPJOJQLWAKTA-APHBMKBZSA-N 1 0 382.277 1.950 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000581417226 532079925 /nfs/dbraw/zinc/07/99/25/532079925.db2.gz LLKWCZBJMRRQFP-UHFFFAOYSA-N 1 0 380.246 1.381 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000581437140 532081549 /nfs/dbraw/zinc/08/15/49/532081549.db2.gz BPQGZRIOVPGKLS-AWEZNQCLSA-N 1 0 394.273 1.164 20 0 GDADRO Ic1cnc(N2CC[NH+](CC[C@@H]3CCOC3)CC2)nc1 ZINC000602732505 532083144 /nfs/dbraw/zinc/08/31/44/532083144.db2.gz JHRUIVYEGNZAGK-GFCCVEGCSA-N 1 0 388.253 1.630 20 0 GDADRO O=C(NCc1sccc1Br)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000285455747 532086111 /nfs/dbraw/zinc/08/61/11/532086111.db2.gz ZQIHVWNOAICZBV-SNVBAGLBSA-N 1 0 386.315 1.727 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000272237139 532087038 /nfs/dbraw/zinc/08/70/38/532087038.db2.gz KKIVOLQTGNDXGE-VHSXEESVSA-N 1 0 384.221 1.748 20 0 GDADRO CN(Cc1nccs1)[C@H]1CC12CC[NH+](CCN1CCCS1(=O)=O)CC2 ZINC000328712614 532091544 /nfs/dbraw/zinc/09/15/44/532091544.db2.gz RUSCEDKXHKMANP-HNNXBMFYSA-N 1 0 384.571 1.465 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000272335399 532092467 /nfs/dbraw/zinc/09/24/67/532092467.db2.gz WDUVJSBBRQSZHD-QWHCGFSZSA-N 1 0 385.917 1.934 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CSCc3cc(=O)n4ccsc4n3)[C@@H]2C1 ZINC000272588772 532106138 /nfs/dbraw/zinc/10/61/38/532106138.db2.gz HNORQRXXBDCDGG-TZMCWYRMSA-N 1 0 378.523 1.542 20 0 GDADRO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374010430 532107452 /nfs/dbraw/zinc/10/74/52/532107452.db2.gz PIAKUTQSOQJKIQ-JTQLQIEISA-N 1 0 384.278 1.659 20 0 GDADRO OC1(c2scnc2Br)CCN(CCCN2CCOCC2)CC1 ZINC000374044088 532109953 /nfs/dbraw/zinc/10/99/53/532109953.db2.gz ZYDWLTCSGGTNDP-UHFFFAOYSA-N 1 0 390.347 1.911 20 0 GDADRO CCN(CC)S(=O)(=O)CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425075891 532117599 /nfs/dbraw/zinc/11/75/99/532117599.db2.gz FAQPPAVOERWIGR-UHFFFAOYSA-N 1 0 388.559 1.910 20 0 GDADRO C[C@@]1(CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)CCC[NH2+]C1 ZINC000272949074 532124846 /nfs/dbraw/zinc/12/48/46/532124846.db2.gz DDVYZODXYVCAEQ-OAHLLOKOSA-N 1 0 389.315 1.972 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000285822216 532114922 /nfs/dbraw/zinc/11/49/22/532114922.db2.gz FSIUFOHDONAKJD-VIFPVBQESA-N 1 0 382.408 1.034 20 0 GDADRO COC(=O)C1CCN(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000330494048 532124945 /nfs/dbraw/zinc/12/49/45/532124945.db2.gz NRSWUPGVYRPBBK-GASCZTMLSA-N 1 0 375.535 1.074 20 0 GDADRO C[C@]1(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)CCC[NH2+]C1 ZINC000272979232 532126963 /nfs/dbraw/zinc/12/69/63/532126963.db2.gz IYJCGLBSFKOYOJ-KRWDZBQOSA-N 1 0 396.285 1.680 20 0 GDADRO Cc1nc(NCC2([NH+]3CCSCC3)CCCC2)sc1S(N)(=O)=O ZINC000374540947 532127068 /nfs/dbraw/zinc/12/70/68/532127068.db2.gz YXLOWMPYUNYSMY-UHFFFAOYSA-N 1 0 376.573 1.872 20 0 GDADRO C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000273047833 532130616 /nfs/dbraw/zinc/13/06/16/532130616.db2.gz XBRLJOUOLOPKQB-ZDUSSCGKSA-N 1 0 385.917 1.727 20 0 GDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2sccc2Br)C1 ZINC000286098520 532131569 /nfs/dbraw/zinc/13/15/69/532131569.db2.gz ZYMQIJAUBCRPLY-NSHDSACASA-N 1 0 388.331 1.975 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc(S(=O)(=O)N(C)C)s3)C2)CC1 ZINC000425402204 532137345 /nfs/dbraw/zinc/13/73/45/532137345.db2.gz IHZHUYWGNPDSHR-HNNXBMFYSA-N 1 0 386.587 1.210 20 0 GDADRO COC(=O)C1CCN(C(=O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000273149455 532137438 /nfs/dbraw/zinc/13/74/38/532137438.db2.gz WPQBAJRMMVDWCF-HNNXBMFYSA-N 1 0 399.285 1.484 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000425400921 532137926 /nfs/dbraw/zinc/13/79/26/532137926.db2.gz GOEWZRXEBIYJTD-HNNXBMFYSA-N 1 0 387.571 1.543 20 0 GDADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3nc(CC(F)(F)F)cs3)[C@@H]2C1 ZINC000425820059 532155619 /nfs/dbraw/zinc/15/56/19/532155619.db2.gz NFNLPDCABKGJFP-GXSJLCMTSA-N 1 0 376.404 1.739 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000375075080 532146042 /nfs/dbraw/zinc/14/60/42/532146042.db2.gz PZQIKUCJPWSPDO-KBPBESRZSA-N 1 0 386.265 1.727 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000331495179 532146532 /nfs/dbraw/zinc/14/65/32/532146532.db2.gz DHOKGRBTHJCJHT-QWRGUYRKSA-N 1 0 386.315 1.537 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000332152660 532167156 /nfs/dbraw/zinc/16/71/56/532167156.db2.gz LUYIYRVVKOYGOQ-PWSUYJOCSA-N 1 0 398.276 1.669 20 0 GDADRO COc1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)sc1S(N)(=O)=O ZINC000332188229 532169082 /nfs/dbraw/zinc/16/90/82/532169082.db2.gz XGHXERDBWIUHEE-GFCCVEGCSA-N 1 0 387.527 1.208 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cscc2Br)CC1 ZINC000286693920 532169449 /nfs/dbraw/zinc/16/94/49/532169449.db2.gz HAJOYOFSKUTVPS-CYBMUJFWSA-N 1 0 386.315 1.889 20 0 GDADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286538748 532158391 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ZINC000375940425 532190214 /nfs/dbraw/zinc/19/02/14/532190214.db2.gz GGCUOAOBEYKIDO-DZGCQCFKSA-N 1 0 383.539 1.286 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3SCCc4sccc43)CC2)C1=O ZINC000332792050 532210343 /nfs/dbraw/zinc/21/03/43/532210343.db2.gz DHNBSABIBJROOI-GDBMZVCRSA-N 1 0 379.551 1.890 20 0 GDADRO C[C@@H](NCC(F)(F)CO)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000274440521 532211030 /nfs/dbraw/zinc/21/10/30/532211030.db2.gz XKNBPIHDJWSVCW-CYBMUJFWSA-N 1 0 379.473 1.195 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000274444079 532211141 /nfs/dbraw/zinc/21/11/41/532211141.db2.gz LTGSLBZDXKYCPW-UHFFFAOYSA-N 1 0 378.256 1.371 20 0 GDADRO [NH3+]CC(=O)NCC(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC000274456197 532211737 /nfs/dbraw/zinc/21/17/37/532211737.db2.gz UGACHFARHUPQQF-UHFFFAOYSA-N 1 0 382.302 1.842 20 0 GDADRO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C)C[NH3+] ZINC000274474143 532212544 /nfs/dbraw/zinc/21/25/44/532212544.db2.gz YJBALBULOWWBGQ-ZWNOBZJWSA-N 1 0 388.331 1.764 20 0 GDADRO O=C(c1ccc(Br)cc1F)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428635066 532213392 /nfs/dbraw/zinc/21/33/92/532213392.db2.gz DPCPSUWCCPXTGY-GFCCVEGCSA-N 1 0 398.276 1.872 20 0 GDADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)NCCN1CC[NH2+]CC1 ZINC000428646415 532213481 /nfs/dbraw/zinc/21/34/81/532213481.db2.gz FUODQJWNDHLCFT-INIZCTEOSA-N 1 0 384.318 1.874 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000274536130 532216158 /nfs/dbraw/zinc/21/61/58/532216158.db2.gz CVCMNZGCUCHUFA-UHFFFAOYSA-N 1 0 385.555 1.628 20 0 GDADRO CN(CCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)S(=O)(=O)c1cccs1 ZINC000376526740 532218085 /nfs/dbraw/zinc/21/80/85/532218085.db2.gz AOUSMOMJXLDWNF-KBPBESRZSA-N 1 0 386.543 1.295 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cnc(Cl)c(F)c3)CC2)C1 ZINC000376266139 532201906 /nfs/dbraw/zinc/20/19/06/532201906.db2.gz PKTARRUQDUPBNX-LBPRGKRZSA-N 1 0 376.885 1.275 20 0 GDADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332633073 532201910 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C[C@@H]([NH2+][C@H](CO)CC(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000429463912 532230095 /nfs/dbraw/zinc/23/00/95/532230095.db2.gz HZHFUGDKHZVFBJ-OCCSQVGLSA-N 1 0 378.441 1.374 20 0 GDADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333371168 532230681 /nfs/dbraw/zinc/23/06/81/532230681.db2.gz VADQKPBKNVJMQT-PHIMTYICSA-N 1 0 377.246 1.713 20 0 GDADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000429686139 532231992 /nfs/dbraw/zinc/23/19/92/532231992.db2.gz OGHIOBHDJNTXCQ-UHFFFAOYSA-N 1 0 387.889 1.235 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000429616095 532232076 /nfs/dbraw/zinc/23/20/76/532232076.db2.gz NQXRQGICNLJLNL-CQSZACIVSA-N 1 0 389.543 1.214 20 0 GDADRO Cc1ncsc1CCS(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000333437426 532234202 /nfs/dbraw/zinc/23/42/02/532234202.db2.gz OUNMJNQBUSKOQC-MRXNPFEDSA-N 1 0 386.587 1.426 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@H]1CCOC1 ZINC000274639604 532221520 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GDADRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@@H](C)C[NH2+]1 ZINC000333855953 532252517 /nfs/dbraw/zinc/25/25/17/532252517.db2.gz YGQKMLUEZVUWSW-HZSPNIEDSA-N 1 0 386.543 1.293 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000333862841 532253200 /nfs/dbraw/zinc/25/32/00/532253200.db2.gz SKGRVOOROFLRPA-KCPJHIHWSA-N 1 0 395.301 1.630 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000430616467 532253298 /nfs/dbraw/zinc/25/32/98/532253298.db2.gz FNRQXQZPKZOIBL-AWEZNQCLSA-N 1 0 386.327 1.850 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c(Br)n1C ZINC000288196385 532271768 /nfs/dbraw/zinc/27/17/68/532271768.db2.gz PZGHNUGMZBPYFE-UHFFFAOYSA-N 1 0 386.275 1.531 20 0 GDADRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@H](C)[NH2+]1 ZINC000430964858 532258521 /nfs/dbraw/zinc/25/85/21/532258521.db2.gz JDBLRJOCCXIHNC-TXEJJXNPSA-N 1 0 388.921 1.211 20 0 GDADRO CS[C@H]1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000275089794 532263690 /nfs/dbraw/zinc/26/36/90/532263690.db2.gz HRQLXBOULBJOSG-CVEARBPZSA-N 1 0 383.539 1.127 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccnc1C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000288331404 532282605 /nfs/dbraw/zinc/28/26/05/532282605.db2.gz XDLDMRTXHJWTQN-LBPRGKRZSA-N 1 0 380.436 1.262 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432290629 532282922 /nfs/dbraw/zinc/28/29/22/532282922.db2.gz CXNMNQGFWXBKHP-ARFHVFGLSA-N 1 0 376.519 1.139 20 0 GDADRO C[N@@H+]1C[C@@H](NC(=O)Cn2cc(Br)ccc2=O)[C@@H](c2ccccc2)C1 ZINC000378311522 532284528 /nfs/dbraw/zinc/28/45/28/532284528.db2.gz QPVPKSPRILMUHH-HZPDHXFCSA-N 1 0 390.281 1.825 20 0 GDADRO Cc1ccc(NS(C)(=O)=O)c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000288502957 532293842 /nfs/dbraw/zinc/29/38/42/532293842.db2.gz BKGXGBCVJKVXTF-JTQLQIEISA-N 1 0 380.495 1.891 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000288539034 532295472 /nfs/dbraw/zinc/29/54/72/532295472.db2.gz AFJGUFOGILQXAP-QGZVFWFLSA-N 1 0 385.917 1.806 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cn1 ZINC000288598040 532298858 /nfs/dbraw/zinc/29/88/58/532298858.db2.gz NQQDTFORMLQZLT-MBNYWOFBSA-N 1 0 397.317 1.962 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000275674498 532305330 /nfs/dbraw/zinc/30/53/30/532305330.db2.gz XTCISRJGYRTWEE-UHFFFAOYSA-N 1 0 389.543 1.042 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)CCN(C)C)cc1Br ZINC000288861947 532309815 /nfs/dbraw/zinc/30/98/15/532309815.db2.gz QYKSAKJLYRADHM-UHFFFAOYSA-N 1 0 399.333 1.696 20 0 GDADRO Cc1csc([C@@](O)(CC(=O)NCC[N@@H+]2CCCOCC2)C(F)(F)F)n1 ZINC000275794611 532310314 /nfs/dbraw/zinc/31/03/14/532310314.db2.gz HNJPAZCQMMAQOO-AWEZNQCLSA-N 1 0 381.420 1.430 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000288920937 532311365 /nfs/dbraw/zinc/31/13/65/532311365.db2.gz UTKFPVQDSCVULT-CQSZACIVSA-N 1 0 381.782 1.726 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC2([NH+](C)C)CCC2)s1 ZINC000275857602 532312869 /nfs/dbraw/zinc/31/28/69/532312869.db2.gz IRZVEKLARQZJTH-CQSZACIVSA-N 1 0 385.555 1.810 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@H]1[NH+](C)C ZINC000275863532 532313093 /nfs/dbraw/zinc/31/30/93/532313093.db2.gz ZBYPYPBFZRRDSM-HZPDHXFCSA-N 1 0 378.523 1.810 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000275956079 532315927 /nfs/dbraw/zinc/31/59/27/532315927.db2.gz AUYXHFYIUQEUJV-UHFFFAOYSA-N 1 0 390.527 1.357 20 0 GDADRO CSC1(CN2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1 ZINC000289129866 532316261 /nfs/dbraw/zinc/31/62/61/532316261.db2.gz OJXVDSUJOUQUSN-UHFFFAOYSA-N 1 0 382.511 1.058 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289142983 532316731 /nfs/dbraw/zinc/31/67/31/532316731.db2.gz FTKWWSVWHAOZQB-QGZVFWFLSA-N 1 0 380.286 1.781 20 0 GDADRO COc1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc(OC)c1Br ZINC000289238921 532319293 /nfs/dbraw/zinc/31/92/93/532319293.db2.gz MQZJYRDLDQIQRZ-CYBMUJFWSA-N 1 0 398.301 1.586 20 0 GDADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289363399 532322603 /nfs/dbraw/zinc/32/26/03/532322603.db2.gz ZMCOXKPGXHYQLT-ZFWWWQNUSA-N 1 0 382.302 1.723 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)s1 ZINC000276226770 532323935 /nfs/dbraw/zinc/32/39/35/532323935.db2.gz MVKBBYZBBVDLMY-UHFFFAOYSA-N 1 0 389.543 1.751 20 0 GDADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1C(=O)OC ZINC000289515316 532326596 /nfs/dbraw/zinc/32/65/96/532326596.db2.gz LAMZUFYPDALVCO-UHFFFAOYSA-N 1 0 390.527 1.656 20 0 GDADRO CC(=O)N1CC(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)C1 ZINC000276366582 532328287 /nfs/dbraw/zinc/32/82/87/532328287.db2.gz UKOSEYCZPFKFTC-UHFFFAOYSA-N 1 0 395.301 1.618 20 0 GDADRO CC[C@@H]([NH2+]CCCCCS(=O)(=O)CC)c1cccc(S(N)(=O)=O)c1 ZINC000276396819 532328534 /nfs/dbraw/zinc/32/85/34/532328534.db2.gz JRXCJENIFBITCP-MRXNPFEDSA-N 1 0 376.544 1.980 20 0 GDADRO CC(=O)N1CCN(CC[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289714284 532331242 /nfs/dbraw/zinc/33/12/42/532331242.db2.gz COKBDYIBEAXOJF-UHFFFAOYSA-N 1 0 380.290 1.351 20 0 GDADRO O=C(COc1ccc(I)cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289807335 532332504 /nfs/dbraw/zinc/33/25/04/532332504.db2.gz PFALFYFMSRPVKG-RYUDHWBXSA-N 1 0 386.233 1.738 20 0 GDADRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000289834213 532332785 /nfs/dbraw/zinc/33/27/85/532332785.db2.gz DUPBRQNNTGUCMZ-WWGRRREGSA-N 1 0 385.302 1.939 20 0 GDADRO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289871063 532333299 /nfs/dbraw/zinc/33/32/99/532333299.db2.gz SCVMOFBLQYVWPY-MGPQQGTHSA-N 1 0 392.297 1.870 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)Cc1ccc(Br)o1)C1=CC[N@H+](C)CC1 ZINC000289926621 532334201 /nfs/dbraw/zinc/33/42/01/532334201.db2.gz XSTXRXPJLBVRDI-NSHDSACASA-N 1 0 384.274 1.767 20 0 GDADRO CNS(=O)(=O)CC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000289961809 532334666 /nfs/dbraw/zinc/33/46/66/532334666.db2.gz CMGHSNPEXFDWOE-UHFFFAOYSA-N 1 0 386.109 1.850 20 0 GDADRO O[C@H](CNCc1cn(-c2ccccc2Br)nn1)C[NH+]1CCCC1 ZINC000290004573 532335144 /nfs/dbraw/zinc/33/51/44/532335144.db2.gz UBABPYZQUHAGPF-CQSZACIVSA-N 1 0 380.290 1.576 20 0 GDADRO OCc1cn(CCC[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)nn1 ZINC000290008297 532335263 /nfs/dbraw/zinc/33/52/63/532335263.db2.gz YTBPWLTTZVTAAJ-UHFFFAOYSA-N 1 0 382.255 1.838 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)COCC2)CC(C)C ZINC000359998606 203809734 /nfs/dbraw/zinc/80/97/34/203809734.db2.gz LZBZHFMHPUMVLH-QGZVFWFLSA-N 1 0 376.501 1.966 20 0 GDADRO CCc1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)o1 ZINC000576364220 570454605 /nfs/dbraw/zinc/45/46/05/570454605.db2.gz NNTAEMRMVKIQPE-MRXNPFEDSA-N 1 0 385.512 1.778 20 0 GDADRO C[C@@H](ON=C(N)C[NH+]1CCCCCC1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736166078 598831630 /nfs/dbraw/zinc/83/16/30/598831630.db2.gz YJJPICXLYCBYGM-CYBMUJFWSA-N 1 0 386.460 1.568 20 0 GDADRO COc1cccc2c1OCC[C@@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737143658 598837211 /nfs/dbraw/zinc/83/72/11/598837211.db2.gz SKRXWSAIYGDXEU-FZMZJTMJSA-N 1 0 382.428 1.227 20 0 GDADRO CCOC(=O)CCCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736591685 598860692 /nfs/dbraw/zinc/86/06/92/598860692.db2.gz HKJBEIHHAWUDRM-UHFFFAOYSA-N 1 0 376.436 1.861 20 0 GDADRO COC(=O)[C@@H]1CC12CC[NH+]([C@@H]1CCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000736910455 598873398 /nfs/dbraw/zinc/87/33/98/598873398.db2.gz VOBKYNWQWZZGDN-JKSUJKDBSA-N 1 0 396.451 1.247 20 0 GDADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000736781113 598873822 /nfs/dbraw/zinc/87/38/22/598873822.db2.gz ZAYGQYKVVPQCJE-LLVKDONJSA-N 1 0 382.877 1.377 20 0 GDADRO C[C@H](NC(C)(C)C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736133776 598886706 /nfs/dbraw/zinc/88/67/06/598886706.db2.gz SFYWJXFUOMGUKQ-LSDHHAIUSA-N 1 0 395.515 1.824 20 0 GDADRO COC(=O)CC[N@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C(C)C ZINC000736913308 598917042 /nfs/dbraw/zinc/91/70/42/598917042.db2.gz MTUGJPXCFNUVGV-UHFFFAOYSA-N 1 0 380.836 1.732 20 0 GDADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000736481595 598930991 /nfs/dbraw/zinc/93/09/91/598930991.db2.gz YCGUDBQSRCXIDQ-KRWDZBQOSA-N 1 0 399.499 1.015 20 0 GDADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736457985 598933198 /nfs/dbraw/zinc/93/31/98/598933198.db2.gz TYXLTBYUJOVGQG-UHFFFAOYSA-N 1 0 389.435 1.325 20 0 GDADRO C[NH+](C)Cc1ccc(N2CCN(c3ncc(-c4nn[nH]n4)cc3Cl)CC2)nc1 ZINC000736771798 598941113 /nfs/dbraw/zinc/94/11/13/598941113.db2.gz SJENZGCKAGSZFY-UHFFFAOYSA-N 1 0 399.890 1.698 20 0 GDADRO COc1cc[nH+]c(N2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)CC2)c1 ZINC000737159688 598967453 /nfs/dbraw/zinc/96/74/53/598967453.db2.gz OCABYQBWJSYTQF-UHFFFAOYSA-N 1 0 389.423 1.540 20 0 GDADRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000736523069 598987190 /nfs/dbraw/zinc/98/71/90/598987190.db2.gz NLMVJDDXAUDSEI-OAHLLOKOSA-N 1 0 388.472 1.587 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000737223224 598999216 /nfs/dbraw/zinc/99/92/16/598999216.db2.gz CRQLDSNPFAVRTC-JSGCOSHPSA-N 1 0 378.502 1.574 20 0 GDADRO FC(F)(F)c1csc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)n1 ZINC000737638631 599011121 /nfs/dbraw/zinc/01/11/21/599011121.db2.gz HNWISOXXNFOUTP-ZETCQYMHSA-N 1 0 385.379 1.370 20 0 GDADRO COc1cccc([C@H](CNC(=O)c2ccc(-c3nn[nH]n3)nc2)[NH+]2CCCC2)c1 ZINC000737127651 599019771 /nfs/dbraw/zinc/01/97/71/599019771.db2.gz QMZBIAOFHWIEES-SFHVURJKSA-N 1 0 393.451 1.837 20 0 GDADRO COc1ccccc1[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)[NH+]1CCCC1 ZINC000737140774 599019792 /nfs/dbraw/zinc/01/97/92/599019792.db2.gz FMEFDCRWOQQUSM-KRWDZBQOSA-N 1 0 393.451 1.837 20 0 GDADRO c1cnn(C[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2)c1 ZINC000738425026 599054658 /nfs/dbraw/zinc/05/46/58/599054658.db2.gz JRHKQCPWIDVTSQ-YOEHRIQHSA-N 1 0 390.455 1.333 20 0 GDADRO COc1ccc(CCC[N@H+](C)[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737087958 599070640 /nfs/dbraw/zinc/07/06/40/599070640.db2.gz KCNOGLAHBYJWJA-SFHVURJKSA-N 1 0 380.452 1.966 20 0 GDADRO C[NH+](C)C[C@H](Cc1ccccc1)N[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736761435 599093540 /nfs/dbraw/zinc/09/35/40/599093540.db2.gz FQCPMLSGAXVLKU-ROUUACIJSA-N 1 0 379.468 1.156 20 0 GDADRO NC(=O)[C@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731531 599094659 /nfs/dbraw/zinc/09/46/59/599094659.db2.gz SLQORCDPMUCZGU-GOSISDBHSA-N 1 0 392.467 1.042 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000736290529 599300929 /nfs/dbraw/zinc/30/09/29/599300929.db2.gz QQIJESRFUWVEND-CJNGLKHVSA-N 1 0 378.502 1.405 20 0 GDADRO O=C(CC[N@@H+]1CCC2(C1)OCCO2)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737838870 599134526 /nfs/dbraw/zinc/13/45/26/599134526.db2.gz OBBJNWSIQYHFPU-UHFFFAOYSA-N 1 0 378.820 1.298 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000738163631 599148948 /nfs/dbraw/zinc/14/89/48/599148948.db2.gz RLQORGDBMKXIBP-GJZGRUSLSA-N 1 0 375.408 1.069 20 0 GDADRO COC(=O)CCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000736912903 599181175 /nfs/dbraw/zinc/18/11/75/599181175.db2.gz HWVVMTSNTYEBNH-UHFFFAOYSA-N 1 0 381.440 1.490 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821181265 599209085 /nfs/dbraw/zinc/20/90/85/599209085.db2.gz LBHFJJSXOULSSW-GFCCVEGCSA-N 1 0 391.863 1.401 20 0 GDADRO O=C(CC[N@H+]1CCCN(CC(F)F)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407102 608322433 /nfs/dbraw/zinc/32/24/33/608322433.db2.gz BCGWUDIFTYZAIG-UHFFFAOYSA-N 1 0 379.415 1.468 20 0 GDADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000736184271 599248069 /nfs/dbraw/zinc/24/80/69/599248069.db2.gz XJYVTGNCKDLROM-HZPDHXFCSA-N 1 0 384.484 1.968 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000737026557 599251666 /nfs/dbraw/zinc/25/16/66/599251666.db2.gz YSQMIIVBERCALY-HNNXBMFYSA-N 1 0 388.472 1.587 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1 ZINC000736267953 599258516 /nfs/dbraw/zinc/25/85/16/599258516.db2.gz QXGWQINZOUVVDW-LBPRGKRZSA-N 1 0 379.490 1.191 20 0 GDADRO O=C(CCCC(=O)N1CC[NH+](CC2CC2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000822955146 607300267 /nfs/dbraw/zinc/30/02/67/607300267.db2.gz JTIHNZPDKGLXLE-UHFFFAOYSA-N 1 0 397.483 1.530 20 0 GDADRO C[NH+](C)CCOc1cccc(NC[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000821587310 607311543 /nfs/dbraw/zinc/31/15/43/607311543.db2.gz QNNOSUWCIJHPPB-CYBMUJFWSA-N 1 0 383.460 1.157 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000737007841 599281251 /nfs/dbraw/zinc/28/12/51/599281251.db2.gz POXLTKNLOJLJDO-ZDUSSCGKSA-N 1 0 375.433 1.108 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000736635385 599283051 /nfs/dbraw/zinc/28/30/51/599283051.db2.gz NBYWLEKDVRBJGO-GFCCVEGCSA-N 1 0 389.460 1.050 20 0 GDADRO Cc1nc(CN(C)[C@H]2CC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC000737471334 599289871 /nfs/dbraw/zinc/28/98/71/599289871.db2.gz HQZRHILJDCJZMX-HNNXBMFYSA-N 1 0 384.444 1.143 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000823319845 607335367 /nfs/dbraw/zinc/33/53/67/607335367.db2.gz ZZPNVCFJENXIHZ-CYBMUJFWSA-N 1 0 387.419 1.031 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736479155 598230964 /nfs/dbraw/zinc/23/09/64/598230964.db2.gz BMQKPLQKOCCATN-QGZVFWFLSA-N 1 0 387.463 1.529 20 0 GDADRO CC(C)[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000735748132 598232404 /nfs/dbraw/zinc/23/24/04/598232404.db2.gz IEQYCZJNVWJXBQ-KXBFYZLASA-N 1 0 383.456 1.712 20 0 GDADRO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737365437 598252911 /nfs/dbraw/zinc/25/29/11/598252911.db2.gz JIDIPEQEJPZBPI-QGZVFWFLSA-N 1 0 394.479 1.737 20 0 GDADRO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737365435 598253214 /nfs/dbraw/zinc/25/32/14/598253214.db2.gz JIDIPEQEJPZBPI-KRWDZBQOSA-N 1 0 394.479 1.737 20 0 GDADRO C[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1OCCc2ccccc21 ZINC000736791674 598258238 /nfs/dbraw/zinc/25/82/38/598258238.db2.gz BZNIPCNFGVNBNB-YLJYHZDGSA-N 1 0 395.463 1.852 20 0 GDADRO CC[N@H+](CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)[C@H](C)C(C)C ZINC000736555677 598335048 /nfs/dbraw/zinc/33/50/48/598335048.db2.gz QKYVWGUOTGOZCP-CQSZACIVSA-N 1 0 385.472 1.955 20 0 GDADRO CC[NH+](CC)CCOc1ccc(CNc2nccnc2-c2nn[nH]n2)cc1OC ZINC000736531393 598345694 /nfs/dbraw/zinc/34/56/94/598345694.db2.gz VHJLQTCNAADVGP-UHFFFAOYSA-N 1 0 398.471 1.998 20 0 GDADRO O=C(CC[N@@H+]1CCCN(c2cccnn2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737842888 598365291 /nfs/dbraw/zinc/36/52/91/598365291.db2.gz DSDNUFCFEZYQLG-UHFFFAOYSA-N 1 0 393.455 1.198 20 0 GDADRO CC[C@H]1CN(CCn2cccn2)CC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736406349 598365741 /nfs/dbraw/zinc/36/57/41/598365741.db2.gz JVQHAWFBBFWVRU-SFHVURJKSA-N 1 0 396.499 1.538 20 0 GDADRO O[C@@H](C[NH+]1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738383612 598365897 /nfs/dbraw/zinc/36/58/97/598365897.db2.gz XHENUYMQLIMBIB-IBGZPJMESA-N 1 0 382.443 1.857 20 0 GDADRO CC[C@@H]1CN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000736406776 598366405 /nfs/dbraw/zinc/36/64/05/598366405.db2.gz BUIBKBRSEUXYMP-OAHLLOKOSA-N 1 0 387.488 1.238 20 0 GDADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735660809 598377017 /nfs/dbraw/zinc/37/70/17/598377017.db2.gz PIYMLPAGRKJDAQ-ZIAGYGMSSA-N 1 0 388.476 1.408 20 0 GDADRO CCC[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCCO1 ZINC000736471200 598405466 /nfs/dbraw/zinc/40/54/66/598405466.db2.gz SYCMQEMUDYXHGG-SJLPKXTDSA-N 1 0 375.473 1.888 20 0 GDADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000736170729 598418045 /nfs/dbraw/zinc/41/80/45/598418045.db2.gz WITMLAOZOAIMOE-LBPRGKRZSA-N 1 0 376.380 1.853 20 0 GDADRO Cn1nc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c2ccccc21 ZINC000737623028 598467211 /nfs/dbraw/zinc/46/72/11/598467211.db2.gz OCBYRDAIZCREBR-UHFFFAOYSA-N 1 0 389.467 1.907 20 0 GDADRO O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000282254045 598471062 /nfs/dbraw/zinc/47/10/62/598471062.db2.gz SUCMXESGQMCYLA-LBPRGKRZSA-N 1 0 396.904 1.769 20 0 GDADRO C[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736237318 598472364 /nfs/dbraw/zinc/47/23/64/598472364.db2.gz PIWVLOPJBCVVAT-ZNMIVQPWSA-N 1 0 398.515 1.608 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc2nccn2c1 ZINC000736766866 598506472 /nfs/dbraw/zinc/50/64/72/598506472.db2.gz GRQUEHRZADABGJ-UHFFFAOYSA-N 1 0 390.451 1.718 20 0 GDADRO Brc1cc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cs1 ZINC000735369836 598521116 /nfs/dbraw/zinc/52/11/16/598521116.db2.gz XVNGYPHTBNZUGL-SECBINFHSA-N 1 0 395.290 1.719 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000736134217 598523083 /nfs/dbraw/zinc/52/30/83/598523083.db2.gz KGMISZYPIVABNN-VXGBXAGGSA-N 1 0 393.455 1.340 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1ccc(N3CCCCC3)nc1)C2 ZINC000738413079 598523687 /nfs/dbraw/zinc/52/36/87/598523687.db2.gz MRKAOFDMAONGKM-HNNXBMFYSA-N 1 0 394.487 1.280 20 0 GDADRO Cc1cccc(C)c1OC[C@H](C)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737391319 598526268 /nfs/dbraw/zinc/52/62/68/598526268.db2.gz XQDYOYFURAEVRR-GJZGRUSLSA-N 1 0 382.472 1.779 20 0 GDADRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737391321 598526405 /nfs/dbraw/zinc/52/64/05/598526405.db2.gz XQDYOYFURAEVRR-HUUCEWRRSA-N 1 0 382.472 1.779 20 0 GDADRO Fc1cc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)ccc1-n1ccnc1 ZINC000737645042 598527062 /nfs/dbraw/zinc/52/70/62/598527062.db2.gz OPPKOMMYDOLZAG-CYBMUJFWSA-N 1 0 394.418 1.220 20 0 GDADRO CC(C)(C)c1csc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)n1 ZINC000735652642 598530566 /nfs/dbraw/zinc/53/05/66/598530566.db2.gz PERIPEBZNVDUPE-LLVKDONJSA-N 1 0 387.517 1.691 20 0 GDADRO O=C(CCN1CCC[C@@H]1C[NH+]1CCCC1)Nc1sccc1-c1nn[nH]n1 ZINC000737844377 598539868 /nfs/dbraw/zinc/53/98/68/598539868.db2.gz SXAKZFDHYPNGNK-CYBMUJFWSA-N 1 0 375.502 1.817 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736856658 598555806 /nfs/dbraw/zinc/55/58/06/598555806.db2.gz LIUKMLYBZDEOTD-CQSZACIVSA-N 1 0 382.424 1.863 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736756043 598600527 /nfs/dbraw/zinc/60/05/27/598600527.db2.gz HHTOZSWNJVECCK-HNNXBMFYSA-N 1 0 382.424 1.815 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@H]1CN1CCOCC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737844287 598621949 /nfs/dbraw/zinc/62/19/49/598621949.db2.gz RMVHRWAVOOIGOX-INIZCTEOSA-N 1 0 399.499 1.382 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000736284847 598630777 /nfs/dbraw/zinc/63/07/77/598630777.db2.gz HACBYLXPSWUPJU-TXEJJXNPSA-N 1 0 377.424 1.627 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736014133 598666441 /nfs/dbraw/zinc/66/64/41/598666441.db2.gz LBJFXJLFQCIHMD-OAHLLOKOSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000736267483 598689584 /nfs/dbraw/zinc/68/95/84/598689584.db2.gz SKSWWTWGLKBNBM-NWDGAFQWSA-N 1 0 382.465 1.405 20 0 GDADRO O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000738354641 598693621 /nfs/dbraw/zinc/69/36/21/598693621.db2.gz IWTOVYMCKINCQA-GFCCVEGCSA-N 1 0 380.449 1.255 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737842841 598706707 /nfs/dbraw/zinc/70/67/07/598706707.db2.gz DESAFHNXNARNIW-INIZCTEOSA-N 1 0 383.456 1.282 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736858796 598757738 /nfs/dbraw/zinc/75/77/38/598757738.db2.gz BQLYTDUSZOBQFS-CVEARBPZSA-N 1 0 376.486 1.255 20 0 GDADRO CCn1cnnc1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736722507 598763312 /nfs/dbraw/zinc/76/33/12/598763312.db2.gz PINGPBZBLGBULA-JKSUJKDBSA-N 1 0 398.471 1.097 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2sccc2-c2nn[nH]n2)cc1 ZINC000736768998 598767794 /nfs/dbraw/zinc/76/77/94/598767794.db2.gz MOTRHNFVSMEARU-UHFFFAOYSA-N 1 0 399.480 1.150 20 0 GDADRO OCC[N@H+](CCc1ccccc1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738394885 598797582 /nfs/dbraw/zinc/79/75/82/598797582.db2.gz YTHHLIFENROCHK-GOSISDBHSA-N 1 0 383.452 1.143 20 0 GDADRO CC[NH+](CC)CCCCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736530661 598812136 /nfs/dbraw/zinc/81/21/36/598812136.db2.gz MCAAZQOUTVBTMT-UHFFFAOYSA-N 1 0 397.487 1.486 20 0 GDADRO O=C(CCCC[NH+]1CCCC1)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000737825081 598821734 /nfs/dbraw/zinc/82/17/34/598821734.db2.gz JTIIRAGWDZCMAA-UHFFFAOYSA-N 1 0 398.515 1.613 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736131398 599300390 /nfs/dbraw/zinc/30/03/90/599300390.db2.gz JTTWYNQGMLRREL-DVOMOZLQSA-N 1 0 397.483 1.430 20 0 GDADRO CC[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CC1 ZINC000736381674 599320389 /nfs/dbraw/zinc/32/03/89/599320389.db2.gz JPJNICHFVICWRH-CYBMUJFWSA-N 1 0 387.875 1.961 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000821624911 599343388 /nfs/dbraw/zinc/34/33/88/599343388.db2.gz AGXZGUWEMICGNA-KGLIPLIRSA-N 1 0 396.904 1.767 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821087722 599373795 /nfs/dbraw/zinc/37/37/95/599373795.db2.gz FLLPDFCQWATFBJ-GFCCVEGCSA-N 1 0 398.920 1.873 20 0 GDADRO C[C@@H](CNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000820704624 599409777 /nfs/dbraw/zinc/40/97/77/599409777.db2.gz PDTHZFJZBDKVPX-CABCVRRESA-N 1 0 387.488 1.808 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000735562129 599446412 /nfs/dbraw/zinc/44/64/12/599446412.db2.gz NQXCNSOVHQIVJK-HNNXBMFYSA-N 1 0 399.499 1.238 20 0 GDADRO COC(C)(C)CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821672352 599458706 /nfs/dbraw/zinc/45/87/06/599458706.db2.gz HTFXEEWBUJHGDT-UHFFFAOYSA-N 1 0 387.488 1.509 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820092433 599476722 /nfs/dbraw/zinc/47/67/22/599476722.db2.gz LQKUFOOQZZIWRX-WMLDXEAASA-N 1 0 387.488 1.584 20 0 GDADRO COCCOc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737016026 599485060 /nfs/dbraw/zinc/48/50/60/599485060.db2.gz UOASOGINTQRQRL-UHFFFAOYSA-N 1 0 379.424 1.829 20 0 GDADRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737146093 599592277 /nfs/dbraw/zinc/59/22/77/599592277.db2.gz FPCZVLZBBIBHAO-CRAIPNDOSA-N 1 0 378.436 1.891 20 0 GDADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000820972092 599646479 /nfs/dbraw/zinc/64/64/79/599646479.db2.gz KSYQYWSRKJSTSL-CJNGLKHVSA-N 1 0 383.456 1.709 20 0 GDADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000820971956 599646533 /nfs/dbraw/zinc/64/65/33/599646533.db2.gz IPJRUTNADLFRBK-IOHHAYIISA-N 1 0 383.456 1.712 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC000821087476 599668782 /nfs/dbraw/zinc/66/87/82/599668782.db2.gz BPSGHHVSFCIYFB-AWEZNQCLSA-N 1 0 387.492 1.047 20 0 GDADRO C[C@@H](CNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C)CC1 ZINC000820721839 599672967 /nfs/dbraw/zinc/67/29/67/599672967.db2.gz CBMIIBTZJLYLEX-HNNXBMFYSA-N 1 0 387.488 1.665 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821239428 599674199 /nfs/dbraw/zinc/67/41/99/599674199.db2.gz BHVFJXOLLRUSDO-UHFFFAOYSA-N 1 0 375.452 1.927 20 0 GDADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC000820340713 599675610 /nfs/dbraw/zinc/67/56/10/599675610.db2.gz MZRSBDTXSAVNBF-AWEZNQCLSA-N 1 0 397.487 1.435 20 0 GDADRO Clc1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)nc1-c1nn[nH]n1 ZINC000822573985 599689248 /nfs/dbraw/zinc/68/92/48/599689248.db2.gz MIKBRGWZACGNDV-UHFFFAOYSA-N 1 0 377.880 1.996 20 0 GDADRO CCC[N@H+](CCO)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1 ZINC000821100270 599690627 /nfs/dbraw/zinc/69/06/27/599690627.db2.gz XEAMIBQKJLSREA-UHFFFAOYSA-N 1 0 397.483 1.917 20 0 GDADRO C[NH+]1CCC(C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000821621676 599698949 /nfs/dbraw/zinc/69/89/49/599698949.db2.gz BKNXGUSHQCMPHR-UHFFFAOYSA-N 1 0 397.483 1.386 20 0 GDADRO Cc1oc(NC(=O)C[NH2+][C@@](C)(CO)C2CCCCC2)c(-c2nn[nH]n2)c1C ZINC000822547992 607453063 /nfs/dbraw/zinc/45/30/63/607453063.db2.gz DKNDUEKJSZFCFY-SFHVURJKSA-N 1 0 376.461 1.936 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C[C@H]1C ZINC000821253572 607454145 /nfs/dbraw/zinc/45/41/45/607454145.db2.gz HJOMEMKPWGKXJW-RISCZKNCSA-N 1 0 375.477 1.820 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C[C@@H]1C ZINC000821253571 607454199 /nfs/dbraw/zinc/45/41/99/607454199.db2.gz HJOMEMKPWGKXJW-FZMZJTMJSA-N 1 0 375.477 1.820 20 0 GDADRO Cc1[nH]c(=O)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826327487 607471802 /nfs/dbraw/zinc/47/18/02/607471802.db2.gz JRFACSAYRUAYHX-UHFFFAOYSA-N 1 0 381.440 1.480 20 0 GDADRO O=C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826410597 607478498 /nfs/dbraw/zinc/47/84/98/607478498.db2.gz RVQHUTHJPUWDET-DOMZBBRYSA-N 1 0 387.513 1.815 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821587314 607478883 /nfs/dbraw/zinc/47/88/83/607478883.db2.gz QWAXGHFAYVPLCK-UHFFFAOYSA-N 1 0 397.458 1.587 20 0 GDADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2nn[nH]n2)cc1F ZINC000823715261 607484694 /nfs/dbraw/zinc/48/46/94/607484694.db2.gz SIWIXHYIRVAHAJ-QUCCMNQESA-N 1 0 396.470 1.978 20 0 GDADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)Cc3ccc(-c4nn[nH]n4)cc3)nc2)C1 ZINC000821583121 607506624 /nfs/dbraw/zinc/50/66/24/607506624.db2.gz JFVAIZZTIGFUKB-KRWDZBQOSA-N 1 0 392.467 1.583 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000825451526 607512756 /nfs/dbraw/zinc/51/27/56/607512756.db2.gz JDGHZXTVQQSVDD-WBMJQRKESA-N 1 0 375.452 1.878 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1-c1nn[nH]n1 ZINC000826194254 607517605 /nfs/dbraw/zinc/51/76/05/607517605.db2.gz GZCBVQAAXMIOMH-PBHICJAKSA-N 1 0 383.456 1.554 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826455857 607518704 /nfs/dbraw/zinc/51/87/04/607518704.db2.gz HBPBTTXVVAYSJH-YOEHRIQHSA-N 1 0 395.467 1.281 20 0 GDADRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825915292 607526467 /nfs/dbraw/zinc/52/64/67/607526467.db2.gz WTYIFCPCDVSKBC-INIZCTEOSA-N 1 0 380.456 1.938 20 0 GDADRO Cn1ccnc1[C@H](O)C1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826364252 607529378 /nfs/dbraw/zinc/52/93/78/607529378.db2.gz PRBBCMZNILPBCY-QGZVFWFLSA-N 1 0 383.456 1.425 20 0 GDADRO COc1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1-c1nn[nH]n1 ZINC000826199131 607568941 /nfs/dbraw/zinc/56/89/41/607568941.db2.gz QSVBRPCHGXHVHF-CQSZACIVSA-N 1 0 387.488 1.795 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000824936924 607579850 /nfs/dbraw/zinc/57/98/50/607579850.db2.gz NHTCCYMNSZFSGB-GFCCVEGCSA-N 1 0 382.465 1.549 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000824937194 607588389 /nfs/dbraw/zinc/58/83/89/607588389.db2.gz OFQBLMMURVDBPP-LLVKDONJSA-N 1 0 384.893 1.673 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@@H]3CCCN(C(=O)[O-])C3)c2)C1 ZINC000740326649 603275358 /nfs/dbraw/zinc/27/53/58/603275358.db2.gz GPAXXKKAACWGRI-RBUKOAKNSA-N 1 0 388.512 1.864 20 0 GDADRO O=C(CNC(=O)N1CC2(CC2)c2ccc(Br)cc21)N1CC[NH2+]CC1 ZINC000529329932 649940498 /nfs/dbraw/zinc/94/04/98/649940498.db2.gz MJPKOPQSGWVKEN-UHFFFAOYSA-N 1 0 393.285 1.442 20 0 GDADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000825866002 607664147 /nfs/dbraw/zinc/66/41/47/607664147.db2.gz OWGZPXMMEDREQK-UHFFFAOYSA-N 1 0 396.492 1.891 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1ccc(Br)c(F)c1F ZINC000529343026 649940924 /nfs/dbraw/zinc/94/09/24/649940924.db2.gz OUDBUYVUYAMWAQ-SNVBAGLBSA-N 1 0 377.233 1.430 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC000826301827 607673933 /nfs/dbraw/zinc/67/39/33/607673933.db2.gz QQAOTHOQAHKYRJ-UONOGXRCSA-N 1 0 376.486 1.280 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCN(c2cccc(Br)c2)CC1 ZINC000529386545 649942515 /nfs/dbraw/zinc/94/25/15/649942515.db2.gz LLWISUIHMDZEAI-AWEZNQCLSA-N 1 0 383.290 1.269 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)c1scc(Br)c1Br ZINC000529385938 649942603 /nfs/dbraw/zinc/94/26/03/649942603.db2.gz FFKRVLLKRZODMI-LURJTMIESA-N 1 0 386.109 1.925 20 0 GDADRO COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000831918141 604365743 /nfs/dbraw/zinc/36/57/43/604365743.db2.gz MFFOPYXQCXVWGC-ZACQAIPSSA-N 1 0 378.469 1.549 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000833621376 605043693 /nfs/dbraw/zinc/04/36/93/605043693.db2.gz AVZRQYCCGWRYGE-QGZVFWFLSA-N 1 0 376.501 1.699 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825459488 607735213 /nfs/dbraw/zinc/73/52/13/607735213.db2.gz LVJMBCAOMCYQCE-OAHLLOKOSA-N 1 0 380.456 1.717 20 0 GDADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529718866 649953334 /nfs/dbraw/zinc/95/33/34/649953334.db2.gz KMJJUXZHPQBFEV-GFCCVEGCSA-N 1 0 399.289 1.235 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826407180 607748978 /nfs/dbraw/zinc/74/89/78/607748978.db2.gz DSMPVGMACBAKCD-LBPRGKRZSA-N 1 0 387.473 1.261 20 0 GDADRO O=S(=O)(NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)s1 ZINC000826491739 607752294 /nfs/dbraw/zinc/75/22/94/607752294.db2.gz YJFGIAFZFCGKDK-UHFFFAOYSA-N 1 0 398.901 1.650 20 0 GDADRO C[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)CC1(O)CCCC1 ZINC000825892232 607755221 /nfs/dbraw/zinc/75/52/21/607755221.db2.gz IBRJTQMMAZYTBC-UHFFFAOYSA-N 1 0 396.455 1.228 20 0 GDADRO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)[O-])N1CC[NH+](C)CC1 ZINC000833792419 605824487 /nfs/dbraw/zinc/82/44/87/605824487.db2.gz HBSAAIJMBKBESS-ZSYWTGECSA-N 1 0 382.549 1.396 20 0 GDADRO CC(C)(O)C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC000819991784 606080663 /nfs/dbraw/zinc/08/06/63/606080663.db2.gz LTLCCGZHWSBFNB-UHFFFAOYSA-N 1 0 388.472 1.447 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000819866973 606094267 /nfs/dbraw/zinc/09/42/67/606094267.db2.gz PPXFSZVHYHHRFG-HOCLYGCPSA-N 1 0 383.500 1.857 20 0 GDADRO CNC(=O)CC1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000821632787 606111530 /nfs/dbraw/zinc/11/15/30/606111530.db2.gz JLJMHRFDLKMOCQ-UHFFFAOYSA-N 1 0 377.474 1.105 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000821762876 606152429 /nfs/dbraw/zinc/15/24/29/606152429.db2.gz RNVHBJFUFCNKIN-CYBMUJFWSA-N 1 0 387.444 1.061 20 0 GDADRO CC(C)OCC[NH+]1CCC(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000820145933 606152633 /nfs/dbraw/zinc/15/26/33/606152633.db2.gz GJTPGCBYNPBHEK-FPLPWBNLSA-N 1 0 384.484 1.886 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000822609686 606157377 /nfs/dbraw/zinc/15/73/77/606157377.db2.gz VDYPOLBAWPUBJS-HNNXBMFYSA-N 1 0 381.444 1.559 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000822613117 606168930 /nfs/dbraw/zinc/16/89/30/606168930.db2.gz ARJZPQIFSFHYQG-HNNXBMFYSA-N 1 0 395.471 1.776 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821254667 606184887 /nfs/dbraw/zinc/18/48/87/606184887.db2.gz OHKPOILDVPEBRX-WMLDXEAASA-N 1 0 392.529 1.303 20 0 GDADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000821637515 606215532 /nfs/dbraw/zinc/21/55/32/606215532.db2.gz JJKXAJJXRCOGID-SNVBAGLBSA-N 1 0 378.483 1.687 20 0 GDADRO 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606307569 /nfs/dbraw/zinc/30/75/69/606307569.db2.gz RBULBLAVACBYHO-UHFFFAOYSA-N 1 0 392.529 1.539 20 0 GDADRO CCn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821568356 606309904 /nfs/dbraw/zinc/30/99/04/606309904.db2.gz QYDIYTDOUKIPFM-KBPBESRZSA-N 1 0 398.496 1.917 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@@]3(CCCOC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504641 606333163 /nfs/dbraw/zinc/33/31/63/606333163.db2.gz SKPYVEZPKRFMSE-KBXCAEBGSA-N 1 0 388.497 1.926 20 0 GDADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000823344304 606360312 /nfs/dbraw/zinc/36/03/12/606360312.db2.gz UOLLJCURAPKCJO-GFCCVEGCSA-N 1 0 375.408 1.192 20 0 GDADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@H](CC)CN1C(C)=O ZINC000820993969 606507192 /nfs/dbraw/zinc/50/71/92/606507192.db2.gz CZDZKNSUUFXKTD-QZTJIDSGSA-N 1 0 399.499 1.917 20 0 GDADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@H](CC)CN1C(C)=O ZINC000820995400 606508664 /nfs/dbraw/zinc/50/86/64/606508664.db2.gz QUXYZUMBQFTZSJ-QZTJIDSGSA-N 1 0 399.499 1.917 20 0 GDADRO C[NH+](C)CCOc1cccc(CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000821587480 606547351 /nfs/dbraw/zinc/54/73/51/606547351.db2.gz ZKZMXWYKSJEGOV-UHFFFAOYSA-N 1 0 380.452 1.666 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821189625 606551190 /nfs/dbraw/zinc/55/11/90/606551190.db2.gz QOXLTJJUEJZNAS-UHFFFAOYSA-N 1 0 387.410 1.942 20 0 GDADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821587201 606551926 /nfs/dbraw/zinc/55/19/26/606551926.db2.gz LJAAOKZJRITIFL-UHFFFAOYSA-N 1 0 386.481 1.841 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000821621843 606554177 /nfs/dbraw/zinc/55/41/77/606554177.db2.gz ILEYTCBZBWEWFG-UHFFFAOYSA-N 1 0 379.468 1.942 20 0 GDADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820480060 606596926 /nfs/dbraw/zinc/59/69/26/606596926.db2.gz FPNJCFSNDWIHHZ-LBPRGKRZSA-N 1 0 391.451 1.562 20 0 GDADRO CC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000820989135 606596944 /nfs/dbraw/zinc/59/69/44/606596944.db2.gz MMDWLPLNMXYRFY-DGCLKSJQSA-N 1 0 393.879 1.829 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820353117 606601378 /nfs/dbraw/zinc/60/13/78/606601378.db2.gz YFADPNYZRXQKAT-GJZGRUSLSA-N 1 0 385.472 1.291 20 0 GDADRO C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820349821 606601481 /nfs/dbraw/zinc/60/14/81/606601481.db2.gz IXRCAKZISZEVAP-CABCVRRESA-N 1 0 385.472 1.291 20 0 GDADRO CC[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1ccccc1C ZINC000820908134 606619534 /nfs/dbraw/zinc/61/95/34/606619534.db2.gz JNGCDFNBULBOCG-HUUCEWRRSA-N 1 0 382.472 1.861 20 0 GDADRO COc1ccc(OCCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1 ZINC000821842619 606700701 /nfs/dbraw/zinc/70/07/01/606700701.db2.gz ULGYKLDQXCFYGY-UHFFFAOYSA-N 1 0 386.460 1.514 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000821586132 606715333 /nfs/dbraw/zinc/71/53/33/606715333.db2.gz LAOPCHWXFNHYFE-UHFFFAOYSA-N 1 0 387.419 1.872 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@]1(C)CCCO1 ZINC000821586234 606720285 /nfs/dbraw/zinc/72/02/85/606720285.db2.gz PHQNQRDUHUUPJQ-IBGZPJMESA-N 1 0 387.488 1.509 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000821575487 606729174 /nfs/dbraw/zinc/72/91/74/606729174.db2.gz DNCPPPNDUFVGQQ-UHFFFAOYSA-N 1 0 380.456 1.015 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1 ZINC000821109827 606735905 /nfs/dbraw/zinc/73/59/05/606735905.db2.gz QJABIBKVWOBCBS-LLVKDONJSA-N 1 0 391.863 1.307 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000821268423 606739852 /nfs/dbraw/zinc/73/98/52/606739852.db2.gz WMJLXULQUKNNAI-LLVKDONJSA-N 1 0 377.836 1.059 20 0 GDADRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2O1 ZINC000820590708 606741447 /nfs/dbraw/zinc/74/14/47/606741447.db2.gz YVUPFJPVJRDFHR-IUODEOHRSA-N 1 0 380.456 1.997 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1)[NH+](C)C ZINC000735693219 606762570 /nfs/dbraw/zinc/76/25/70/606762570.db2.gz XZUKINCDXFRPLD-INIZCTEOSA-N 1 0 375.452 1.241 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCOc1ccccc1 ZINC000820788232 606779201 /nfs/dbraw/zinc/77/92/01/606779201.db2.gz BEBAHIWMJHBIER-OAHLLOKOSA-N 1 0 380.456 1.636 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCOCC(F)(F)F ZINC000820788709 606779291 /nfs/dbraw/zinc/77/92/91/606779291.db2.gz MSRLGDJZUCOLBV-LLVKDONJSA-N 1 0 386.382 1.136 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000820788374 606779976 /nfs/dbraw/zinc/77/99/76/606779976.db2.gz FOTZGXVSSWCAMV-CQSZACIVSA-N 1 0 392.467 1.345 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000820685432 606807163 /nfs/dbraw/zinc/80/71/63/606807163.db2.gz UJLAKHBVKRUVNO-ZIAGYGMSSA-N 1 0 399.499 1.639 20 0 GDADRO O=S(=O)(c1ccc(F)cc1-c1nn[nH]n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000823607219 606844426 /nfs/dbraw/zinc/84/44/26/606844426.db2.gz RQZICZQSGROYBN-AWEZNQCLSA-N 1 0 394.476 1.645 20 0 GDADRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000821357759 606916990 /nfs/dbraw/zinc/91/69/90/606916990.db2.gz FLTUGNHFOUVEFL-IRXDYDNUSA-N 1 0 384.484 1.762 20 0 GDADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821691234 606966899 /nfs/dbraw/zinc/96/68/99/606966899.db2.gz NKUINTKKPYCBBI-TZMCWYRMSA-N 1 0 376.436 1.369 20 0 GDADRO C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CCC(=O)OC(C)(C)C ZINC000821598065 606983806 /nfs/dbraw/zinc/98/38/06/606983806.db2.gz PVIJTYGQHISXOT-UHFFFAOYSA-N 1 0 380.474 1.920 20 0 GDADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000819992139 606984841 /nfs/dbraw/zinc/98/48/41/606984841.db2.gz RNUZUIQFMPAUSX-UHFFFAOYSA-N 1 0 393.451 1.768 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)c(Cl)c3)CC[C@@H]21 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ZINC000826496318 608626495 /nfs/dbraw/zinc/62/64/95/608626495.db2.gz SCTACCNTCKJTSE-UHFFFAOYSA-N 1 0 388.453 1.356 20 0 GDADRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825225438 608656786 /nfs/dbraw/zinc/65/67/86/608656786.db2.gz SRZOHLZVIJUAGC-AWEZNQCLSA-N 1 0 382.472 1.643 20 0 GDADRO C[NH+](C)CCOc1ccccc1N1CCN(c2cnccc2-c2nn[nH]n2)CC1 ZINC000825870416 608786262 /nfs/dbraw/zinc/78/62/62/608786262.db2.gz LPUPOCGSIFCBSO-UHFFFAOYSA-N 1 0 394.483 1.529 20 0 GDADRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)n1 ZINC000825659634 608839099 /nfs/dbraw/zinc/83/90/99/608839099.db2.gz XONJQDFLYAFZMF-UHFFFAOYSA-N 1 0 386.485 1.829 20 0 GDADRO C[C@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000824689969 609145795 /nfs/dbraw/zinc/14/57/95/609145795.db2.gz ONIWXMKVAMGHJW-DCAQKATOSA-N 1 0 376.486 1.447 20 0 GDADRO Cc1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259051 609153754 /nfs/dbraw/zinc/15/37/54/609153754.db2.gz GAYIMFVBTRNYQB-ZDUSSCGKSA-N 1 0 380.456 1.573 20 0 GDADRO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826256933 609155196 /nfs/dbraw/zinc/15/51/96/609155196.db2.gz HCCOTXBUUYDGEQ-HNNXBMFYSA-N 1 0 394.483 1.775 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258953 609158439 /nfs/dbraw/zinc/15/84/39/609158439.db2.gz BZUOOIGZLXOCSH-DOMZBBRYSA-N 1 0 380.456 1.573 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)s1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826472513 609170780 /nfs/dbraw/zinc/17/07/80/609170780.db2.gz MQPGNCIMUIUWGR-UHFFFAOYSA-N 1 0 390.513 1.893 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826471865 609170985 /nfs/dbraw/zinc/17/09/85/609170985.db2.gz PIJYBBGMBFBHRR-UHFFFAOYSA-N 1 0 384.484 1.831 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826431905 609188305 /nfs/dbraw/zinc/18/83/05/609188305.db2.gz NHQXJUMSMYJUJW-ROUUACIJSA-N 1 0 378.436 1.291 20 0 GDADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826437082 609195809 /nfs/dbraw/zinc/19/58/09/609195809.db2.gz VLAKRORBDUHSTP-UHFFFAOYSA-N 1 0 380.456 1.137 20 0 GDADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825865588 609204721 /nfs/dbraw/zinc/20/47/21/609204721.db2.gz HBGUHJRTLKNMCM-IBGZPJMESA-N 1 0 394.479 1.533 20 0 GDADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825865996 609215620 /nfs/dbraw/zinc/21/56/20/609215620.db2.gz OUTSZUKSVDMMSP-GOSISDBHSA-N 1 0 380.452 1.491 20 0 GDADRO C[C@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000824420160 609227814 /nfs/dbraw/zinc/22/78/14/609227814.db2.gz GMHNNFAHSASJIR-KDOFPFPSSA-N 1 0 380.452 1.537 20 0 GDADRO CC[N@@H+]1CC[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000825453708 609242179 /nfs/dbraw/zinc/24/21/79/609242179.db2.gz WNCVPQICIJXALP-KDOFPFPSSA-N 1 0 385.516 1.970 20 0 GDADRO Cc1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258452 609317175 /nfs/dbraw/zinc/31/71/75/609317175.db2.gz LZZLMOZHCZOJBL-CQSZACIVSA-N 1 0 392.467 1.741 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545865 609335504 /nfs/dbraw/zinc/33/55/04/609335504.db2.gz DYQSDKRMGSNPCP-ZBFHGGJFSA-N 1 0 389.479 1.063 20 0 GDADRO Cn1cc(C[NH2+]Cc2cccc(C(N)=O)c2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361704 609336163 /nfs/dbraw/zinc/33/61/63/609336163.db2.gz KECIVALDPLLBKA-UHFFFAOYSA-N 1 0 388.435 1.656 20 0 GDADRO COCCN1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826159303 609338367 /nfs/dbraw/zinc/33/83/67/609338367.db2.gz ATAHLXGJXFBLQN-KRWDZBQOSA-N 1 0 382.472 1.078 20 0 GDADRO Cn1cc(C[NH2+]C2CCC(C(N)=O)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360962 609340063 /nfs/dbraw/zinc/34/00/63/609340063.db2.gz DZTBBEBYIBSNRE-UHFFFAOYSA-N 1 0 380.456 1.401 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C[C@@H]1[NH+](C)C ZINC000824977284 609358283 /nfs/dbraw/zinc/35/82/83/609358283.db2.gz PZTYTDGQCVWCIB-RISCZKNCSA-N 1 0 399.434 1.605 20 0 GDADRO C[C@H](O)C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000824708642 609358606 /nfs/dbraw/zinc/35/86/06/609358606.db2.gz ZGNRROKCZTVGLO-NSHDSACASA-N 1 0 381.278 1.128 20 0 GDADRO C[NH+](C)C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2Br)CCO1 ZINC000825859614 609362065 /nfs/dbraw/zinc/36/20/65/609362065.db2.gz HZGFFXLBWCBOJC-CYBMUJFWSA-N 1 0 381.278 1.392 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825122068 609362079 /nfs/dbraw/zinc/36/20/79/609362079.db2.gz WTUYWFDFTMJULT-CQSZACIVSA-N 1 0 395.305 1.518 20 0 GDADRO OC[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000826506901 609428839 /nfs/dbraw/zinc/42/88/39/609428839.db2.gz FFGXUQLJVGEIHF-NVXWUHKLSA-N 1 0 389.843 1.583 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1Cl)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000826494026 609546750 /nfs/dbraw/zinc/54/67/50/609546750.db2.gz MCNRCEPZXBXNCD-CYBMUJFWSA-N 1 0 396.904 1.769 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000826277332 609621801 /nfs/dbraw/zinc/62/18/01/609621801.db2.gz RAHXADQWMGZMAS-UHFFFAOYSA-N 1 0 389.379 1.333 20 0 GDADRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2n[nH]cc2Br)CC1 ZINC000530868430 649982837 /nfs/dbraw/zinc/98/28/37/649982837.db2.gz QXWRXRXMIOYNEL-UHFFFAOYSA-N 1 0 388.310 1.861 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531044272 649986174 /nfs/dbraw/zinc/98/61/74/649986174.db2.gz UKJFWEZNOGTUNT-GFCCVEGCSA-N 1 0 398.301 1.992 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000531724583 649995323 /nfs/dbraw/zinc/99/53/23/649995323.db2.gz GDEFYBJIMGXOIC-BXUZGUMPSA-N 1 0 381.278 1.553 20 0 GDADRO COCCC[N@H+](CCOC)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532483462 650025282 /nfs/dbraw/zinc/02/52/82/650025282.db2.gz UONGYZULJDDZEE-UHFFFAOYSA-N 1 0 384.274 1.942 20 0 GDADRO CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000532740915 650031885 /nfs/dbraw/zinc/03/18/85/650031885.db2.gz OHXSHKOLGRYQLE-GJZGRUSLSA-N 1 0 388.921 1.276 20 0 GDADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000532792546 650034196 /nfs/dbraw/zinc/03/41/96/650034196.db2.gz MTTQEQVQTXKWDN-LLVKDONJSA-N 1 0 394.950 1.415 20 0 GDADRO COC(=O)c1csc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000532885793 650037789 /nfs/dbraw/zinc/03/77/89/650037789.db2.gz NYOOTPKTNZVEBG-NSHDSACASA-N 1 0 381.479 1.954 20 0 GDADRO O=C1CC2(CN1)CC[NH+](Cc1cc(=O)n3cc(Br)ccc3n1)CC2 ZINC000532989198 650039285 /nfs/dbraw/zinc/03/92/85/650039285.db2.gz QJNWLPKNRDMDRF-UHFFFAOYSA-N 1 0 391.269 1.559 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(Br)c2)CCOCC1)N1CCNC(=O)C1 ZINC000533348784 650049450 /nfs/dbraw/zinc/04/94/50/650049450.db2.gz JIOQQGCDJWQYNX-UHFFFAOYSA-N 1 0 396.285 1.003 20 0 GDADRO O=S1(=O)C[C@@H]([NH2+]CCCOc2ccc(Cl)cc2)[C@H](N2CCOCC2)C1 ZINC000533382730 650050201 /nfs/dbraw/zinc/05/02/01/650050201.db2.gz CAHHWXTXSOZTMD-IAGOWNOFSA-N 1 0 388.917 1.196 20 0 GDADRO C[C@@H]1CCC[C@@H](NC(=S)NNC(=S)NCCCN2CCOCC2)[C@H]1C ZINC000916126597 660186419 /nfs/dbraw/zinc/18/64/19/660186419.db2.gz HSHKBIGQJKKKOU-QLFBSQMISA-N 1 0 387.619 1.377 20 0 GDADRO C[NH+](C)CCCN(C(=O)CSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000534897881 650234152 /nfs/dbraw/zinc/23/41/52/650234152.db2.gz XAWUUNDXEKVDAF-LLVKDONJSA-N 1 0 376.466 1.249 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C[C@@H]1[NH+](C)C ZINC000534907698 650234938 /nfs/dbraw/zinc/23/49/38/650234938.db2.gz NWCAVFRPEOXSIO-DLBZAZTESA-N 1 0 380.539 1.598 20 0 GDADRO C[N@H+](CC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@H]1CCSC1 ZINC000535004086 650237711 /nfs/dbraw/zinc/23/77/11/650237711.db2.gz SGAGERLQLHCLPW-AWEZNQCLSA-N 1 0 399.358 1.930 20 0 GDADRO O=C1NC(=O)C2(CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)N1 ZINC000536343927 650268931 /nfs/dbraw/zinc/26/89/31/650268931.db2.gz XNFUVGFVNXASQU-SNVBAGLBSA-N 1 0 388.251 1.407 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000536877207 650281971 /nfs/dbraw/zinc/28/19/71/650281971.db2.gz PYCKGDAFQWANBE-CQSZACIVSA-N 1 0 389.543 1.205 20 0 GDADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000537278313 650288280 /nfs/dbraw/zinc/28/82/80/650288280.db2.gz CYDTZIZQMQJHCC-UHFFFAOYSA-N 1 0 377.413 1.034 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)ccc1S(C)(=O)=O ZINC000537941810 650302570 /nfs/dbraw/zinc/30/25/70/650302570.db2.gz DOQLMAJYVJVDPQ-LBPRGKRZSA-N 1 0 392.543 1.467 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc(S(N)(=O)=O)c1 ZINC000539202249 650330333 /nfs/dbraw/zinc/33/03/33/650330333.db2.gz JXNPMVDCWHGDIG-CYBMUJFWSA-N 1 0 382.507 1.729 20 0 GDADRO C[C@H]1CN(C(=O)NCCSCC(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000539910866 650342988 /nfs/dbraw/zinc/34/29/88/650342988.db2.gz XYEGWCKNPRMUKM-KBPBESRZSA-N 1 0 382.496 1.949 20 0 GDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000540016810 650346819 /nfs/dbraw/zinc/34/68/19/650346819.db2.gz DBZXUAQSDALPMO-RBSFLKMASA-N 1 0 385.555 1.842 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCOCC1 ZINC000540459812 650358823 /nfs/dbraw/zinc/35/88/23/650358823.db2.gz ZUTWVRDTVNPGRP-SNVBAGLBSA-N 1 0 375.878 1.331 20 0 GDADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000540985486 650375650 /nfs/dbraw/zinc/37/56/50/650375650.db2.gz KJWXMCDHYYZXBN-CYBMUJFWSA-N 1 0 385.917 1.426 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC000541051264 650377247 /nfs/dbraw/zinc/37/72/47/650377247.db2.gz HCUUZOKHKXHOIQ-CYBMUJFWSA-N 1 0 378.288 1.012 20 0 GDADRO O=S(=O)(NCC[NH2+]C1CCN(CC(F)F)CC1)c1ccc(Cl)s1 ZINC000541216863 650379964 /nfs/dbraw/zinc/37/99/64/650379964.db2.gz XSWSRBBYDBFBAS-UHFFFAOYSA-N 1 0 387.905 1.999 20 0 GDADRO CC[NH+](CC)CCSCC(=O)NCC1CCN(S(=O)(=O)CC)CC1 ZINC000541740453 650389233 /nfs/dbraw/zinc/38/92/33/650389233.db2.gz BFLMFBZMHMOXMV-UHFFFAOYSA-N 1 0 379.592 1.239 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000542467045 650405824 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C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Br)o1 ZINC000546778918 650485780 /nfs/dbraw/zinc/48/57/80/650485780.db2.gz QRPHSGDKFCSADO-IJLUTSLNSA-N 1 0 393.303 1.914 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000547286771 650494114 /nfs/dbraw/zinc/49/41/14/650494114.db2.gz GMGJGMGFNSUNEK-CQSZACIVSA-N 1 0 379.766 1.480 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc(Br)cc3O)C2)CC1 ZINC000548074041 650529969 /nfs/dbraw/zinc/52/99/69/650529969.db2.gz GQLDHLSPNZIVED-MRXNPFEDSA-N 1 0 396.329 1.936 20 0 GDADRO C[C@@H](COC1CCCC1)CS(=O)(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000549370225 650575336 /nfs/dbraw/zinc/57/53/36/650575336.db2.gz OMKPWBIOHUBJSD-INIZCTEOSA-N 1 0 376.563 1.690 20 0 GDADRO C[C@H](CNS(=O)(=O)Cc1ccc(C(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000549370768 650575341 /nfs/dbraw/zinc/57/53/41/650575341.db2.gz DYUIWMRTSYZEGJ-CQSZACIVSA-N 1 0 375.485 1.927 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000549903124 650584810 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GDADRO C[C@H]1CN(C(=O)C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C[C@H]1[NH3+] ZINC000423176356 646117993 /nfs/dbraw/zinc/11/79/93/646117993.db2.gz GXVDROGFHZDCKS-XHDPSFHLSA-N 1 0 388.295 1.510 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000423199509 646119169 /nfs/dbraw/zinc/11/91/69/646119169.db2.gz BSPKTFNCKDHFAN-SWLSCSKDSA-N 1 0 396.285 1.169 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000423271789 646123195 /nfs/dbraw/zinc/12/31/95/646123195.db2.gz YETFAKCNYQKTCX-CYBMUJFWSA-N 1 0 378.231 1.450 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423411255 646125157 /nfs/dbraw/zinc/12/51/57/646125157.db2.gz UECGLIQZYKTKRX-IUODEOHRSA-N 1 0 398.301 1.482 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000423525334 646127364 /nfs/dbraw/zinc/12/73/64/646127364.db2.gz KJYPNAPMMVWJHJ-LBPRGKRZSA-N 1 0 384.249 1.423 20 0 GDADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C3)cs1 ZINC000423569768 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1.866 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423604853 646136410 /nfs/dbraw/zinc/13/64/10/646136410.db2.gz IZMDSZVZOMROCP-HNNXBMFYSA-N 1 0 382.302 1.660 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423625368 646138613 /nfs/dbraw/zinc/13/86/13/646138613.db2.gz CXQGFEDAJVADOC-GXTWGEPZSA-N 1 0 382.302 1.646 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000423653114 646139329 /nfs/dbraw/zinc/13/93/29/646139329.db2.gz OKQYOUHCRNJLDZ-NWDGAFQWSA-N 1 0 398.301 1.625 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000423658208 646140643 /nfs/dbraw/zinc/14/06/43/646140643.db2.gz XJNMKCZVBZCUDX-OLZOCXBDSA-N 1 0 382.302 1.925 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000423670177 646141399 /nfs/dbraw/zinc/14/13/99/646141399.db2.gz LWBMTLUKEJFLBX-GJZGRUSLSA-N 1 0 398.301 1.372 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000423965154 646147635 /nfs/dbraw/zinc/14/76/35/646147635.db2.gz XXZDQRWROQLCSQ-CYBMUJFWSA-N 1 0 381.274 1.649 20 0 GDADRO C[C@H]1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)C[C@H]1C[NH3+] ZINC000424018216 646153233 /nfs/dbraw/zinc/15/32/33/646153233.db2.gz PUIDCZSFJUDESK-NWDGAFQWSA-N 1 0 396.285 1.618 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCCO1 ZINC000424021438 646153856 /nfs/dbraw/zinc/15/38/56/646153856.db2.gz NQYBOSLBVCTRCV-CHWSQXEVSA-N 1 0 386.279 1.923 20 0 GDADRO C[NH2+]CCCN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000424034438 646155081 /nfs/dbraw/zinc/15/50/81/646155081.db2.gz RDRLYBNNNJKJDL-UHFFFAOYSA-N 1 0 392.319 1.138 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)CCN1c2ccc(Br)cc2OCC1=O ZINC000424047860 646156124 /nfs/dbraw/zinc/15/61/24/646156124.db2.gz PDMCAUICYCNXSV-UHFFFAOYSA-N 1 0 384.274 1.808 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000424052175 646156701 /nfs/dbraw/zinc/15/67/01/646156701.db2.gz AWAMAUHKAZITQD-UHFFFAOYSA-N 1 0 387.933 1.984 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000424062073 646158248 /nfs/dbraw/zinc/15/82/48/646158248.db2.gz RXSXZMQBOVHGLI-LBPRGKRZSA-N 1 0 386.279 1.659 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000424065232 646159121 /nfs/dbraw/zinc/15/91/21/646159121.db2.gz XAMDIHNXZVRLKR-UHFFFAOYSA-N 1 0 379.258 1.765 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)C[C@H]1c1ccc(Br)cc1 ZINC000424217642 646165131 /nfs/dbraw/zinc/16/51/31/646165131.db2.gz MXMBADMWTSRRKJ-UONOGXRCSA-N 1 0 381.270 1.774 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)C(=O)c3ccc(Br)cc3)C[C@H]2[NH3+])cn1 ZINC000424222311 646165998 /nfs/dbraw/zinc/16/59/98/646165998.db2.gz FCJJFLPVSJRKON-UONOGXRCSA-N 1 0 377.242 1.319 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)COc3ccc(Br)cc3F)C[C@H]2[NH3+])cn1 ZINC000424231084 646167369 /nfs/dbraw/zinc/16/73/69/646167369.db2.gz FUETVNNBIWHVTE-GXTWGEPZSA-N 1 0 397.248 1.654 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000424366378 646175178 /nfs/dbraw/zinc/17/51/78/646175178.db2.gz YEFZOHHZDSDCJN-RKDXNWHRSA-N 1 0 389.275 1.579 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1OC ZINC000424365517 646175187 /nfs/dbraw/zinc/17/51/87/646175187.db2.gz WDSBWDVVLJXCBW-VXGBXAGGSA-N 1 0 375.878 1.256 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(Br)cc2O)C1 ZINC000436671689 646203542 /nfs/dbraw/zinc/20/35/42/646203542.db2.gz ANKNJUWOKBIODS-NSHDSACASA-N 1 0 384.274 1.472 20 0 GDADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000438171396 646220769 /nfs/dbraw/zinc/22/07/69/646220769.db2.gz WBIBIWSGOBRLSO-ZDUSSCGKSA-N 1 0 385.452 1.145 20 0 GDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(Br)c2)CCO1 ZINC000439227039 646229669 /nfs/dbraw/zinc/22/96/69/646229669.db2.gz SJDGLJJEDXAUJX-JTQLQIEISA-N 1 0 381.267 1.539 20 0 GDADRO NC(=O)NC1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439428693 646231012 /nfs/dbraw/zinc/23/10/12/646231012.db2.gz ZGLFPCXHFHBLIU-CYBMUJFWSA-N 1 0 390.253 1.461 20 0 GDADRO O=c1cc2c(n[nH]1)CC[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000439446305 646233967 /nfs/dbraw/zinc/23/39/67/646233967.db2.gz QPWCPLKXOSFRQP-ZDUSSCGKSA-N 1 0 398.232 1.882 20 0 GDADRO NC(=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000441333283 646254148 /nfs/dbraw/zinc/25/41/48/646254148.db2.gz SDJUAIJZQOSZOD-UHFFFAOYSA-N 1 0 385.848 1.646 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CN1C1CC1 ZINC000441344834 646254693 /nfs/dbraw/zinc/25/46/93/646254693.db2.gz FBJMSWIOWGWJCD-DGCLKSJQSA-N 1 0 375.897 1.972 20 0 GDADRO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000917531432 660215237 /nfs/dbraw/zinc/21/52/37/660215237.db2.gz QYIAOFPQGOWBLH-UHFFFAOYSA-N 1 0 380.495 1.124 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000917535829 660215245 /nfs/dbraw/zinc/21/52/45/660215245.db2.gz KCGPCKXEZGDPAV-UHFFFAOYSA-N 1 0 384.395 1.757 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(OC)CCS(=O)(=O)C1 ZINC000917576909 660215706 /nfs/dbraw/zinc/21/57/06/660215706.db2.gz GTYDPNPXKOROPQ-RDJZCZTQSA-N 1 0 375.535 1.144 20 0 GDADRO CSC1CCC(CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000917783909 660221888 /nfs/dbraw/zinc/22/18/88/660221888.db2.gz LFZLFOAMPGXBBC-UHFFFAOYSA-N 1 0 391.603 1.716 20 0 GDADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000918095724 660228819 /nfs/dbraw/zinc/22/88/19/660228819.db2.gz MZRQRYYCDHONBU-QJPTWQEYSA-N 1 0 380.436 1.029 20 0 GDADRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000917879259 660223399 /nfs/dbraw/zinc/22/33/99/660223399.db2.gz ITSHYNITXHZYLL-UHFFFAOYSA-N 1 0 379.404 1.950 20 0 GDADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1 ZINC000917898787 660224010 /nfs/dbraw/zinc/22/40/10/660224010.db2.gz NJQUOVCKYAVCSQ-UHFFFAOYSA-N 1 0 385.917 1.411 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000917959219 660225772 /nfs/dbraw/zinc/22/57/72/660225772.db2.gz CDFDBIWYABHSAC-HZPDHXFCSA-N 1 0 396.333 1.936 20 0 GDADRO Cc1nc(S(=O)(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c(Br)n1C ZINC000918360779 660234637 /nfs/dbraw/zinc/23/46/37/660234637.db2.gz VKYKJDLZMIPXAH-ZIAGYGMSSA-N 1 0 391.335 1.453 20 0 GDADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=S)NCC(=O)N(C)C)CC1 ZINC000918716356 660239694 /nfs/dbraw/zinc/23/96/94/660239694.db2.gz FFORANLHBXNPMS-UHFFFAOYSA-N 1 0 383.949 1.857 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cnc(Br)cn3)C2)CC1 ZINC000918907322 660242648 /nfs/dbraw/zinc/24/26/48/660242648.db2.gz XCAHQSLNXKATDU-LBPRGKRZSA-N 1 0 397.321 1.207 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000918947622 660243276 /nfs/dbraw/zinc/24/32/76/660243276.db2.gz OWSWBYATSRYTOH-CYBMUJFWSA-N 1 0 378.907 1.126 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000918945239 660243284 /nfs/dbraw/zinc/24/32/84/660243284.db2.gz CPRPDRAQAUZBOF-MRXNPFEDSA-N 1 0 390.889 1.188 20 0 GDADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000918947938 660243475 /nfs/dbraw/zinc/24/34/75/660243475.db2.gz UNQRFXZHNHXOLG-MRXNPFEDSA-N 1 0 390.889 1.204 20 0 GDADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000442986402 647167825 /nfs/dbraw/zinc/16/78/25/647167825.db2.gz ZWBOWUCZYFJLGS-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)cnc2N)Cc2ccccc2C1 ZINC000443773018 647223597 /nfs/dbraw/zinc/22/35/97/647223597.db2.gz BVUQFAZFJAKMHG-UHFFFAOYSA-N 1 0 380.901 1.695 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444001079 647234388 /nfs/dbraw/zinc/23/43/88/647234388.db2.gz JOUNAGOKWOHICF-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccccc2SC)CC1 ZINC000444062691 647237097 /nfs/dbraw/zinc/23/70/97/647237097.db2.gz AICBFBJDIFWEEB-UHFFFAOYSA-N 1 0 386.539 1.962 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(C)(C)C[NH+](C)C ZINC000444086337 647240693 /nfs/dbraw/zinc/24/06/93/647240693.db2.gz QIPFLTGHONJARQ-CYBMUJFWSA-N 1 0 391.559 1.192 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)C2 ZINC000920273998 660268476 /nfs/dbraw/zinc/26/84/76/660268476.db2.gz LSNFBICKZHRXRD-KQTLUZQSSA-N 1 0 391.896 1.632 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)C2 ZINC000920274000 660268564 /nfs/dbraw/zinc/26/85/64/660268564.db2.gz LSNFBICKZHRXRD-NYTXWWLZSA-N 1 0 391.896 1.632 20 0 GDADRO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCC[C@H]1CCC[NH2+]1 ZINC000444261733 647247072 /nfs/dbraw/zinc/24/70/72/647247072.db2.gz ZECIRPGLEKZVDB-GFCCVEGCSA-N 1 0 379.404 1.242 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(I)c2)C1 ZINC000445560696 647270757 /nfs/dbraw/zinc/27/07/57/647270757.db2.gz ZFWVIKDLOHPCRI-MNOVXSKESA-N 1 0 380.251 1.839 20 0 GDADRO CN(CC(=O)Nc1ccccc1Br)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000446212125 647282117 /nfs/dbraw/zinc/28/21/17/647282117.db2.gz SMAQPPCYFSFSTC-UHFFFAOYSA-N 1 0 392.257 1.529 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000446927800 647298317 /nfs/dbraw/zinc/29/83/17/647298317.db2.gz INFOIUDKMKHQRZ-VCTAVGKDSA-N 1 0 378.416 1.976 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)C(=O)Nc1cccc(Br)c1 ZINC000453803239 647337434 /nfs/dbraw/zinc/33/74/34/647337434.db2.gz GEVPTOXVFDQFQR-CQSZACIVSA-N 1 0 384.274 1.351 20 0 GDADRO CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000453808285 647338626 /nfs/dbraw/zinc/33/86/26/647338626.db2.gz RDNBOMAVTRCGGC-CYBMUJFWSA-N 1 0 385.917 1.963 20 0 GDADRO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000454628269 647358472 /nfs/dbraw/zinc/35/84/72/647358472.db2.gz HZJZFZYIDLLKFQ-HWRSSNJWSA-N 1 0 375.535 1.203 20 0 GDADRO C[C@@H](CNC(=O)NCCn1cc(Br)ccc1=O)C[NH+]1CCCC1 ZINC000454628554 647358571 /nfs/dbraw/zinc/35/85/71/647358571.db2.gz VSNIVCHMRYDAEY-ZDUSSCGKSA-N 1 0 385.306 1.642 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NCCCC[N@@H+](C)C2CC2)s1 ZINC000455601760 647384522 /nfs/dbraw/zinc/38/45/22/647384522.db2.gz CMWICGRQNLANSG-UHFFFAOYSA-N 1 0 388.559 1.508 20 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647502222 /nfs/dbraw/zinc/50/22/22/647502222.db2.gz NNIFRGAEBNBTQL-HOTGVXAUSA-N 1 0 376.567 1.610 20 0 GDADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000461899926 647503315 /nfs/dbraw/zinc/50/33/15/647503315.db2.gz KMVMGGWTCXKHEF-CQSZACIVSA-N 1 0 387.571 1.811 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000461965508 647504331 /nfs/dbraw/zinc/50/43/31/647504331.db2.gz NNZWMLWVXYPPAN-KRWDZBQOSA-N 1 0 396.329 1.987 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000462187047 647515999 /nfs/dbraw/zinc/51/59/99/647515999.db2.gz HQDFXEZSJPKJFX-UHFFFAOYSA-N 1 0 385.258 1.422 20 0 GDADRO COC(=O)C[C@]1([NH2+]CC(=O)N(C)Cc2ccccc2Br)CCOC1 ZINC000464592217 647584780 /nfs/dbraw/zinc/58/47/80/647584780.db2.gz HZQXSXHHVCRZGY-QGZVFWFLSA-N 1 0 399.285 1.719 20 0 GDADRO COC(=O)C[C@@]1([NH2+]C[C@H](O)COc2ccc(Br)cc2)CCOC1 ZINC000464592410 647584902 /nfs/dbraw/zinc/58/49/02/647584902.db2.gz JBFPBNLYIJNMNU-BBRMVZONSA-N 1 0 388.258 1.501 20 0 GDADRO C[N@@H+]1CCCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000466324186 647609511 /nfs/dbraw/zinc/60/95/11/647609511.db2.gz GUKJDBTUODCXCU-UHFFFAOYSA-N 1 0 388.921 1.356 20 0 GDADRO COCC[C@@H](CO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000467443197 647643843 /nfs/dbraw/zinc/64/38/43/647643843.db2.gz JPJZZDLNEFRXNV-AAEUAGOBSA-N 1 0 378.288 1.655 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000469017652 647691773 /nfs/dbraw/zinc/69/17/73/647691773.db2.gz OOAKHDMLROBLLG-ZDUSSCGKSA-N 1 0 397.317 1.792 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000469265094 647703180 /nfs/dbraw/zinc/70/31/80/647703180.db2.gz BGBAXYGOUMKSRU-ZDUSSCGKSA-N 1 0 389.543 1.044 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2c(C)csc2C(=O)OC)CC1 ZINC000469349289 647707097 /nfs/dbraw/zinc/70/70/97/647707097.db2.gz ZYMRSIBHIOOBND-ZDUSSCGKSA-N 1 0 389.543 1.147 20 0 GDADRO Cc1cc(NC(=O)CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)ccc1Br ZINC000469641738 647713920 /nfs/dbraw/zinc/71/39/20/647713920.db2.gz KVQXQJKOVBCQGJ-OAHLLOKOSA-N 1 0 398.301 1.921 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1c(F)cccc1I ZINC000476255150 647775784 /nfs/dbraw/zinc/77/57/84/647775784.db2.gz HPQHVYRCDRXUMO-UHFFFAOYSA-N 1 0 380.201 1.738 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000477061912 647792469 /nfs/dbraw/zinc/79/24/69/647792469.db2.gz GOSOQGHMJVIJIO-LLVKDONJSA-N 1 0 390.315 1.763 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1Br)C[NH+](C)C ZINC000921637496 660317984 /nfs/dbraw/zinc/31/79/84/660317984.db2.gz UXTRGQUPTYYKJC-ZDUSSCGKSA-N 1 0 397.310 1.974 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1cc(Br)ccc1OC)C[NH+](C)C ZINC000921639173 660318153 /nfs/dbraw/zinc/31/81/53/660318153.db2.gz FUXFOGHUIKLJCS-GFCCVEGCSA-N 1 0 395.319 1.703 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000477185048 647797581 /nfs/dbraw/zinc/79/75/81/647797581.db2.gz HJZNCBGDKKPSGS-JTQLQIEISA-N 1 0 377.304 1.855 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000477194150 647797712 /nfs/dbraw/zinc/79/77/12/647797712.db2.gz XTEHIAXHTKGSEJ-RYUDHWBXSA-N 1 0 398.301 1.770 20 0 GDADRO CC1(C)CN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC[NH2+]1 ZINC000477337338 647801215 /nfs/dbraw/zinc/80/12/15/647801215.db2.gz OKBQZICWVGPZHG-UHFFFAOYSA-N 1 0 378.416 1.776 20 0 GDADRO CSc1nnc(CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)s1 ZINC000480397062 647846630 /nfs/dbraw/zinc/84/66/30/647846630.db2.gz WJHIXRQYEACRKG-UHFFFAOYSA-N 1 0 390.560 1.113 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CCSC1 ZINC000481195733 647871597 /nfs/dbraw/zinc/87/15/97/647871597.db2.gz WKUDWDWCBIAWKD-GZIXRCOHSA-N 1 0 386.587 1.266 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000482148674 647893939 /nfs/dbraw/zinc/89/39/39/647893939.db2.gz GSOHIKZYGMZWHC-AWEZNQCLSA-N 1 0 381.523 1.559 20 0 GDADRO CSC[C@@H](O)C[NH+]1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000488319960 647957022 /nfs/dbraw/zinc/95/70/22/647957022.db2.gz MADBCDBGIAYDIE-ZDUSSCGKSA-N 1 0 382.555 1.855 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000488544693 647961427 /nfs/dbraw/zinc/96/14/27/647961427.db2.gz AATTZFGDELCOBZ-JQWIXIFHSA-N 1 0 377.869 1.071 20 0 GDADRO COCCN(CCOC)S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000492354672 647998940 /nfs/dbraw/zinc/99/89/40/647998940.db2.gz FTHNOWKBLPDMON-UHFFFAOYSA-N 1 0 379.567 1.412 20 0 GDADRO CCCS(=O)(=O)Nc1cccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000495622745 648014606 /nfs/dbraw/zinc/01/46/06/648014606.db2.gz YPMGTGQPKCXCJN-CVEARBPZSA-N 1 0 385.555 1.956 20 0 GDADRO COc1ccc(CCC(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1Br ZINC000495766760 648015715 /nfs/dbraw/zinc/01/57/15/648015715.db2.gz UJPKMPYIPZOBAF-UHFFFAOYSA-N 1 0 398.301 1.281 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000496070907 648016607 /nfs/dbraw/zinc/01/66/07/648016607.db2.gz KWICALBXEWMUBB-IAQYHMDHSA-N 1 0 396.285 1.949 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000497351871 648025822 /nfs/dbraw/zinc/02/58/22/648025822.db2.gz CJLYDXZYNMFFPA-NSHDSACASA-N 1 0 380.919 1.163 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1F ZINC000497352062 648025865 /nfs/dbraw/zinc/02/58/65/648025865.db2.gz GRTYHIGPVNJEAT-UHFFFAOYSA-N 1 0 393.506 1.335 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1Cl ZINC000497354036 648026199 /nfs/dbraw/zinc/02/61/99/648026199.db2.gz ACXYHLCALXNSFH-CQSZACIVSA-N 1 0 385.917 1.481 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1F ZINC000497355040 648026295 /nfs/dbraw/zinc/02/62/95/648026295.db2.gz QCUGYMQHWVRCNF-BXUZGUMPSA-N 1 0 393.506 1.334 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H](C)C[NH3+] ZINC000497357907 648027045 /nfs/dbraw/zinc/02/70/45/648027045.db2.gz KTIIZEGBKKBSRN-JTQLQIEISA-N 1 0 381.292 1.442 20 0 GDADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000497358664 648027573 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1.386 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)c1sccc1S(=O)(=O)NCc1ccco1 ZINC000499083441 648075329 /nfs/dbraw/zinc/07/53/29/648075329.db2.gz HEXVTSCPFRVFNF-LBPRGKRZSA-N 1 0 385.511 1.890 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000499940848 648096123 /nfs/dbraw/zinc/09/61/23/648096123.db2.gz WJVSULYEIFWLFD-CABCVRRESA-N 1 0 379.592 1.284 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000500766190 648118284 /nfs/dbraw/zinc/11/82/84/648118284.db2.gz FUXJZZVYUBSSMA-UHFFFAOYSA-N 1 0 382.511 1.012 20 0 GDADRO COCC[N@H+](CCOc1ccc(F)cc1)CC1(O)CCS(=O)(=O)CC1 ZINC000502690591 648168093 /nfs/dbraw/zinc/16/80/93/648168093.db2.gz VZZBGQFSMBMLKJ-UHFFFAOYSA-N 1 0 375.462 1.093 20 0 GDADRO CCn1cc(CC[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cn1 ZINC000503094435 648181903 /nfs/dbraw/zinc/18/19/03/648181903.db2.gz PSWZKTMRFFPTJX-UHFFFAOYSA-N 1 0 382.452 1.734 20 0 GDADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000503449143 648186987 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Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])nc12 ZINC000577178063 651713180 /nfs/dbraw/zinc/71/31/80/651713180.db2.gz FEJHROHHRGFASQ-WDEREUQCSA-N 1 0 396.289 1.263 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)NCCCCn2cc(Br)cn2)n1 ZINC000577229399 651717309 /nfs/dbraw/zinc/71/73/09/651717309.db2.gz IOWUIFFYJDWBBX-UHFFFAOYSA-N 1 0 383.294 1.614 20 0 GDADRO COc1c(Br)c(C)sc1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000577242649 651718560 /nfs/dbraw/zinc/71/85/60/651718560.db2.gz JNZAUSCLIYAXAL-QMMMGPOBSA-N 1 0 392.319 1.624 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@H](O)CSC)c1 ZINC000577275871 651721213 /nfs/dbraw/zinc/72/12/13/651721213.db2.gz QVNCMEGLZCFRGV-NSHDSACASA-N 1 0 391.331 1.891 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000577856885 651758982 /nfs/dbraw/zinc/75/89/82/651758982.db2.gz NQFAYXOQZQPZJH-LBPRGKRZSA-N 1 0 396.285 1.367 20 0 GDADRO O=C(c1n[nH]c2ccc(I)cc21)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577867633 651760552 /nfs/dbraw/zinc/76/05/52/651760552.db2.gz QIQPOJKCUANUPF-VHSXEESVSA-N 1 0 396.232 1.849 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000577980593 651762704 /nfs/dbraw/zinc/76/27/04/651762704.db2.gz ORGXPIXUDIHEPA-CYBMUJFWSA-N 1 0 381.523 1.575 20 0 GDADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc3c(c1)S(=O)(=O)CC3)CC[NH2+]CC2 ZINC000578005762 651765045 /nfs/dbraw/zinc/76/50/45/651765045.db2.gz QGSVZMYPEYRTKU-ZDUSSCGKSA-N 1 0 384.523 1.169 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000578070584 651770861 /nfs/dbraw/zinc/77/08/61/651770861.db2.gz ZLGFXYXUKRPUET-RYUDHWBXSA-N 1 0 386.290 1.528 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000578202399 651780646 /nfs/dbraw/zinc/78/06/46/651780646.db2.gz KIFNELDHEFMQET-JQWIXIFHSA-N 1 0 389.905 1.551 20 0 GDADRO CN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000578226321 651782719 /nfs/dbraw/zinc/78/27/19/651782719.db2.gz DWRAWPACGDFERT-UHFFFAOYSA-N 1 0 380.923 1.073 20 0 GDADRO O=C(NCC[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccco1 ZINC000578316045 651789049 /nfs/dbraw/zinc/78/90/49/651789049.db2.gz LJJYWSYYALCZRP-ZDUSSCGKSA-N 1 0 383.242 1.801 20 0 GDADRO O=C(Cc1cccc(Br)c1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000578618779 651800839 /nfs/dbraw/zinc/80/08/39/651800839.db2.gz RFZHZPXIKABGIO-QAPCUYQASA-N 1 0 394.313 1.755 20 0 GDADRO Cn1cc(Br)c(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])n1 ZINC000578647794 651804409 /nfs/dbraw/zinc/80/44/09/651804409.db2.gz HTXMATYRSBCFRV-OAHLLOKOSA-N 1 0 378.274 1.950 20 0 GDADRO O=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)N[C@H]1C[NH2+]CCC1(F)F ZINC000578744199 651809615 /nfs/dbraw/zinc/80/96/15/651809615.db2.gz PIYNXTSIGXIHFT-OBJOEFQTSA-N 1 0 376.448 1.957 20 0 GDADRO CN(CCN1CCOC(C)(C)C1)c1ncc(I)cn1 ZINC000578829328 651817690 /nfs/dbraw/zinc/81/76/90/651817690.db2.gz JENCQCHBCQZYMX-UHFFFAOYSA-N 1 0 376.242 1.628 20 0 GDADRO C[C@@H](CNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000578849778 651819239 /nfs/dbraw/zinc/81/92/39/651819239.db2.gz PHTPMPNLRZOBCK-NEPJUHHUSA-N 1 0 386.543 1.856 20 0 GDADRO COc1cc(NC(=O)CC[NH2+]CCS(=O)(=O)N(C)C)c(OC)cc1Cl ZINC000578860792 651820050 /nfs/dbraw/zinc/82/00/50/651820050.db2.gz LLMXXUAKVCGBHK-UHFFFAOYSA-N 1 0 393.893 1.167 20 0 GDADRO O=S(=O)(NCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1cccnc1 ZINC000578940691 651826301 /nfs/dbraw/zinc/82/63/01/651826301.db2.gz IZBQZRKIAQXDHY-UHFFFAOYSA-N 1 0 375.372 1.874 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000578968389 651828422 /nfs/dbraw/zinc/82/84/22/651828422.db2.gz QMTITLZRARXFKI-LBPRGKRZSA-N 1 0 394.277 1.055 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000579334358 651851614 /nfs/dbraw/zinc/85/16/14/651851614.db2.gz ACWYQLFQSYXUED-FZMZJTMJSA-N 1 0 396.285 1.284 20 0 GDADRO C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000579535043 651865904 /nfs/dbraw/zinc/86/59/04/651865904.db2.gz WYRSBRHBYMAMTB-LBPRGKRZSA-N 1 0 375.922 1.711 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3COc4c3ccc(Cl)c4Cl)CCN2C1=O ZINC000579861812 651881985 /nfs/dbraw/zinc/88/19/85/651881985.db2.gz RAQDGFVVZGWARP-FXAINCCUSA-N 1 0 385.251 1.380 20 0 GDADRO O=S1(=O)C[C@H](C[NH2+]Cc2cnn(CC(F)(F)F)c2)Oc2ccccc21 ZINC000579957520 651888830 /nfs/dbraw/zinc/88/88/30/651888830.db2.gz PIHPENFEPQTKFY-LBPRGKRZSA-N 1 0 375.372 1.770 20 0 GDADRO C[C@H](NC(=O)c1cc2cc(Br)ccc2o1)C(=O)NCC[NH+](C)C ZINC000580056630 651892095 /nfs/dbraw/zinc/89/20/95/651892095.db2.gz YPFSXKIUQWWRNH-JTQLQIEISA-N 1 0 382.258 1.991 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CC12CC[NH2+]CC2 ZINC000580071218 651893552 /nfs/dbraw/zinc/89/35/52/651893552.db2.gz LXZQZXLWFXDAPC-LBPRGKRZSA-N 1 0 389.880 1.263 20 0 GDADRO [NH3+][C@H]1CCc2ncc(NC(=O)NCCn3cc(Br)cn3)cc2C1 ZINC000580170036 651901131 /nfs/dbraw/zinc/90/11/31/651901131.db2.gz FSMRGIHOUDGUSP-LBPRGKRZSA-N 1 0 379.262 1.678 20 0 GDADRO CSC1(CNC(=O)CSc2nnnn2C2CCCC2)CC[NH+](C)CC1 ZINC000580505425 651920813 /nfs/dbraw/zinc/92/08/13/651920813.db2.gz SKIDBMAWNIRNFR-UHFFFAOYSA-N 1 0 384.575 1.824 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000580645983 651931336 /nfs/dbraw/zinc/93/13/36/651931336.db2.gz AZRKHURWWZGKGH-OBJOEFQTSA-N 1 0 397.317 1.386 20 0 GDADRO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000580700067 651935117 /nfs/dbraw/zinc/93/51/17/651935117.db2.gz YQQCKBJONLSRQV-GJZGRUSLSA-N 1 0 385.555 1.749 20 0 GDADRO COC[C@H](C)CS(=O)(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000580860514 651944426 /nfs/dbraw/zinc/94/44/26/651944426.db2.gz CUQXBGIUPPIWQA-ULQDDVLXSA-N 1 0 376.563 1.810 20 0 GDADRO [NH3+]C1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC1 ZINC000580881896 651945510 /nfs/dbraw/zinc/94/55/10/651945510.db2.gz FFVBIHPUBBVXTA-UHFFFAOYSA-N 1 0 392.934 1.299 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNCc2c(Br)cncc2Br)C1 ZINC000580924509 651948433 /nfs/dbraw/zinc/94/84/33/651948433.db2.gz FLYSWRJWVQNOQZ-LBPRGKRZSA-N 1 0 379.096 1.763 20 0 GDADRO Cn1cc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc(Br)c1=O ZINC000581069093 651958351 /nfs/dbraw/zinc/95/83/51/651958351.db2.gz DVAWUHKCHXZQDA-LBPRGKRZSA-N 1 0 380.246 1.521 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000581365514 651974941 /nfs/dbraw/zinc/97/49/41/651974941.db2.gz UZDMDGROAVJWTD-RYUDHWBXSA-N 1 0 385.313 1.651 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCSc3ccc(Br)cc3)CCN2C1=O ZINC000581499730 651978902 /nfs/dbraw/zinc/97/89/02/651978902.db2.gz QJCACGPANSWHCB-TZMCWYRMSA-N 1 0 398.326 1.702 20 0 GDADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCc2ccccc2Br)CC1 ZINC000581949494 651981861 /nfs/dbraw/zinc/98/18/61/651981861.db2.gz GWJFUNAEQCBKOE-UHFFFAOYSA-N 1 0 382.302 1.695 20 0 GDADRO CN(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301720 651987422 /nfs/dbraw/zinc/98/74/22/651987422.db2.gz RPWLEXJVYHLSSZ-LRDDRELGSA-N 1 0 389.309 1.784 20 0 GDADRO O=C(CC[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)Nc1cccnc1 ZINC000582355278 651990494 /nfs/dbraw/zinc/99/04/94/651990494.db2.gz DZCQYXZNMHZVIG-UHFFFAOYSA-N 1 0 382.873 1.632 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000582449562 651996936 /nfs/dbraw/zinc/99/69/36/651996936.db2.gz HUNXJBIBLLOEOU-UHFFFAOYSA-N 1 0 387.571 1.922 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000582451202 651997073 /nfs/dbraw/zinc/99/70/73/651997073.db2.gz ZHDXRNGXNSNZJA-LBPRGKRZSA-N 1 0 386.315 1.732 20 0 GDADRO CC(C)CN(CC[NH+](C)C)C(=O)c1c(I)cnn1C ZINC000582559886 652005093 /nfs/dbraw/zinc/00/50/93/652005093.db2.gz FVWHQULHLLSFGH-UHFFFAOYSA-N 1 0 378.258 1.685 20 0 GDADRO NS(=O)(=O)c1cc(Cl)cc(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000583148561 652027093 /nfs/dbraw/zinc/02/70/93/652027093.db2.gz GVQPJYWXCSWGFK-UHFFFAOYSA-N 1 0 387.933 1.314 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Br ZINC000583933551 652050787 /nfs/dbraw/zinc/05/07/87/652050787.db2.gz BRDZGGGBJYUVRA-NSHDSACASA-N 1 0 399.289 1.318 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000584226785 652062187 /nfs/dbraw/zinc/06/21/87/652062187.db2.gz OFWOITVDOKHJLT-MGPQQGTHSA-N 1 0 386.543 1.328 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(I)cc3)C[C@@H]21 ZINC000584333483 652066817 /nfs/dbraw/zinc/06/68/17/652066817.db2.gz DILPMYPXHBRAGJ-MFKMUULPSA-N 1 0 399.232 1.392 20 0 GDADRO CSCC[C@H](NC(N)=O)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000584402843 652068882 /nfs/dbraw/zinc/06/88/82/652068882.db2.gz XLOZWQRQEYCCIN-LSDHHAIUSA-N 1 0 384.571 1.917 20 0 GDADRO C[C@@H]([NH3+])CN1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000584723603 652079857 /nfs/dbraw/zinc/07/98/57/652079857.db2.gz KWSPTZJMOGZJCK-CYBMUJFWSA-N 1 0 390.347 1.188 20 0 GDADRO CS[C@@H](C)C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@H](C)SC ZINC000588165233 652097586 /nfs/dbraw/zinc/09/75/86/652097586.db2.gz JSGLCIKBIWKBDU-GJZGRUSLSA-N 1 0 375.604 1.872 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000588754588 652100619 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/nfs/dbraw/zinc/97/62/14/652976214.db2.gz MCNQHSVACJPFEH-GFCCVEGCSA-N 1 0 391.584 1.556 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC000617765233 652976296 /nfs/dbraw/zinc/97/62/96/652976296.db2.gz YHMJPSADLWOKKK-UHFFFAOYSA-N 1 0 375.922 1.357 20 0 GDADRO Cc1c(Br)cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(=O)n1C ZINC000620478891 652991402 /nfs/dbraw/zinc/99/14/02/652991402.db2.gz JTZLOEGZJUONMV-CYBMUJFWSA-N 1 0 398.301 1.127 20 0 GDADRO O=C(COc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620488036 652991554 /nfs/dbraw/zinc/99/15/54/652991554.db2.gz FKZYQGQPGXKUQM-OAHLLOKOSA-N 1 0 383.286 1.886 20 0 GDADRO O=C(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000620483804 652991614 /nfs/dbraw/zinc/99/16/14/652991614.db2.gz CLCQXKHWAKDTOY-HNNXBMFYSA-N 1 0 381.270 1.689 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621102423 652995464 /nfs/dbraw/zinc/99/54/64/652995464.db2.gz HGMFCOFRIYTQFF-CQSZACIVSA-N 1 0 382.302 1.849 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC[NH2+]1 ZINC000621156123 652996357 /nfs/dbraw/zinc/99/63/57/652996357.db2.gz SXDSOWMXRCRHJL-AWEZNQCLSA-N 1 0 382.262 1.752 20 0 GDADRO C[NH2+]CC1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC000621623278 652997919 /nfs/dbraw/zinc/99/79/19/652997919.db2.gz ZVTLTGWQBVJHNP-UHFFFAOYSA-N 1 0 379.262 1.496 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000621622620 652997954 /nfs/dbraw/zinc/99/79/54/652997954.db2.gz IOUUKORKQMEKGL-WDEREUQCSA-N 1 0 379.262 1.624 20 0 GDADRO [NH3+]CCC1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC000621667422 652998652 /nfs/dbraw/zinc/99/86/52/652998652.db2.gz BLMXXYWQRHDVOP-UHFFFAOYSA-N 1 0 379.262 1.626 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc(Br)ccc1-n1cnnn1)C2 ZINC000621679620 652998767 /nfs/dbraw/zinc/99/87/67/652998767.db2.gz PZJZOUZRMFLMLX-BONVTDFDSA-N 1 0 377.246 1.378 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Cn1cnc3ccc(Br)cc3c1=O)C2 ZINC000621694892 652998890 /nfs/dbraw/zinc/99/88/90/652998890.db2.gz NGWGCDOOKRGUED-PIGZYNQJSA-N 1 0 391.269 1.499 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Br)ccc2-n2cnnn2)C[C@H]1C ZINC000622835219 653001836 /nfs/dbraw/zinc/00/18/36/653001836.db2.gz LURSWCNGHCBWQU-VXGBXAGGSA-N 1 0 393.289 1.980 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)cc1-n1cnnn1)C1=CC[N@H+](C)CC1 ZINC000623022887 653003345 /nfs/dbraw/zinc/00/33/45/653003345.db2.gz OXDOLKSGANVFKB-LLVKDONJSA-N 1 0 391.273 1.805 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2ccsc2Br)cn1 ZINC000623482545 653005136 /nfs/dbraw/zinc/00/51/36/653005136.db2.gz ZABWWETWFCWRDF-UHFFFAOYSA-N 1 0 386.319 1.997 20 0 GDADRO Cc1cc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)ncc1Br ZINC000623484877 653005259 /nfs/dbraw/zinc/00/52/59/653005259.db2.gz FMKLBBMXKALECT-WFASDCNBSA-N 1 0 389.315 1.978 20 0 GDADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)ncc1Br ZINC000623514922 653005830 /nfs/dbraw/zinc/00/58/30/653005830.db2.gz GXHFZLQDEIFNOE-BXUZGUMPSA-N 1 0 376.320 1.960 20 0 GDADRO OC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623510287 653005862 /nfs/dbraw/zinc/00/58/62/653005862.db2.gz QDQLWKGCFQRSGZ-CQSZACIVSA-N 1 0 379.284 1.147 20 0 GDADRO Cc1cc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)ncc1Br ZINC000623616967 653007139 /nfs/dbraw/zinc/00/71/39/653007139.db2.gz PIYUSLHQGVCBKA-QGZVFWFLSA-N 1 0 384.318 1.858 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(Br)cnc2OC)C1 ZINC000623635796 653007801 /nfs/dbraw/zinc/00/78/01/653007801.db2.gz WLYRKSZDANMJTD-ZDUSSCGKSA-N 1 0 387.278 1.373 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc3c2OCCO3)CC[C@H]1C(F)(F)F ZINC000624390968 653011822 /nfs/dbraw/zinc/01/18/22/653011822.db2.gz NEUHEKYPXKBPEL-GHMZBOCLSA-N 1 0 380.388 1.606 20 0 GDADRO Cc1cc2c(cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)OCO2 ZINC000624391041 653011897 /nfs/dbraw/zinc/01/18/97/653011897.db2.gz OTIKFHKZXCBBOG-GHMZBOCLSA-N 1 0 380.388 1.872 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000624392748 653012061 /nfs/dbraw/zinc/01/20/61/653012061.db2.gz YFZUSIOJCXYVQT-SCZZXKLOSA-N 1 0 394.341 1.593 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000624393867 653012302 /nfs/dbraw/zinc/01/23/02/653012302.db2.gz NFQSNQGJARMYNR-UONOGXRCSA-N 1 0 387.571 1.872 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)CCc1c(F)cccc1F ZINC000625129355 653019005 /nfs/dbraw/zinc/01/90/05/653019005.db2.gz HJGZWKZDSNJZIE-AWEZNQCLSA-N 1 0 375.485 1.453 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625347105 653029836 /nfs/dbraw/zinc/02/98/36/653029836.db2.gz JEAIYVQBWCBCGR-RYUDHWBXSA-N 1 0 378.489 1.973 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000625419904 653033517 /nfs/dbraw/zinc/03/35/17/653033517.db2.gz LSIICJPWQRLIRB-KRWDZBQOSA-N 1 0 389.949 1.806 20 0 GDADRO O=C(C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)N1CCOCC1 ZINC000625794570 653045404 /nfs/dbraw/zinc/04/54/04/653045404.db2.gz KJPMKNYFVNMIOO-KRWDZBQOSA-N 1 0 383.286 1.117 20 0 GDADRO CCOCCNC(=O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795641 653045591 /nfs/dbraw/zinc/04/55/91/653045591.db2.gz YGWCYBNBHIOZRI-QGZVFWFLSA-N 1 0 385.302 1.411 20 0 GDADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000626040102 653047832 /nfs/dbraw/zinc/04/78/32/653047832.db2.gz XFXYPDPFMCGXQG-OCCSQVGLSA-N 1 0 380.286 1.585 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000626590906 653057923 /nfs/dbraw/zinc/05/79/23/653057923.db2.gz OIEZDFWAUWHJGD-VIFPVBQESA-N 1 0 376.226 1.785 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000626879943 653062351 /nfs/dbraw/zinc/06/23/51/653062351.db2.gz VSNFSNFXZYVCJT-JTQLQIEISA-N 1 0 377.388 1.384 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000626882408 653062514 /nfs/dbraw/zinc/06/25/14/653062514.db2.gz KJTSCJHYTYQLCE-SECBINFHSA-N 1 0 377.775 1.027 20 0 GDADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)c1Br ZINC000626882624 653062595 /nfs/dbraw/zinc/06/25/95/653062595.db2.gz AATQFJSDRAFXNQ-SNVBAGLBSA-N 1 0 390.665 1.454 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626883268 653062827 /nfs/dbraw/zinc/06/28/27/653062827.db2.gz MAKADSYBLKEAKW-SSDOTTSWSA-N 1 0 394.628 1.285 20 0 GDADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626883432 653062854 /nfs/dbraw/zinc/06/28/54/653062854.db2.gz SQQNZZNMMQYFOQ-SECBINFHSA-N 1 0 390.665 1.454 20 0 GDADRO [NH3+]CC1(NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CCOCC1 ZINC000626884635 653063084 /nfs/dbraw/zinc/06/30/84/653063084.db2.gz IFFBYMLXMYFCJT-UHFFFAOYSA-N 1 0 396.285 1.500 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C[NH2+]1 ZINC000626892883 653063561 /nfs/dbraw/zinc/06/35/61/653063561.db2.gz IWEOXXYTKLXTEE-YUMQZZPRSA-N 1 0 376.201 1.923 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[NH2+]1 ZINC000626893764 653063753 /nfs/dbraw/zinc/06/37/53/653063753.db2.gz QZGGOKRPBIEWMZ-KOLCDFICSA-N 1 0 381.274 1.917 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(Br)c1 ZINC000626900717 653064542 /nfs/dbraw/zinc/06/45/42/653064542.db2.gz CEXBWHDHJOYOCY-CALCHBBNSA-N 1 0 396.285 1.854 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000627004363 653066363 /nfs/dbraw/zinc/06/63/63/653066363.db2.gz LAJZNABTCPUGGT-LLVKDONJSA-N 1 0 394.950 1.319 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000627020807 653066898 /nfs/dbraw/zinc/06/68/98/653066898.db2.gz GXLGYHCXOXZJNM-OAHLLOKOSA-N 1 0 399.333 1.905 20 0 GDADRO CN(C(=O)NCC1([NH3+])CCOCC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000627150577 653067678 /nfs/dbraw/zinc/06/76/78/653067678.db2.gz OQUBIXSYOIWADH-ZDUSSCGKSA-N 1 0 387.889 1.318 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000627164090 653067963 /nfs/dbraw/zinc/06/79/63/653067963.db2.gz FFNFPYJDKYYCCA-ZNMIVQPWSA-N 1 0 395.301 1.772 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000627158039 653068023 /nfs/dbraw/zinc/06/80/23/653068023.db2.gz HIAQQKTVSJXXCV-NWDGAFQWSA-N 1 0 384.278 1.014 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000627292147 653071495 /nfs/dbraw/zinc/07/14/95/653071495.db2.gz MLDUSMTXPGFAHB-SECBINFHSA-N 1 0 380.247 1.743 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627295101 653071691 /nfs/dbraw/zinc/07/16/91/653071691.db2.gz UFMPPDVNCNZZGS-ZDUSSCGKSA-N 1 0 384.249 1.605 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000627293028 653071796 /nfs/dbraw/zinc/07/17/96/653071796.db2.gz JUKCMZCBOMBXME-TUKIKUTGSA-N 1 0 382.302 1.753 20 0 GDADRO CN(CCOCC[NH3+])C(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000627320656 653072090 /nfs/dbraw/zinc/07/20/90/653072090.db2.gz KFPLOUOJMNNZRS-UHFFFAOYSA-N 1 0 398.301 1.031 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)Oc1ccc(Br)cc1 ZINC000627374754 653073905 /nfs/dbraw/zinc/07/39/05/653073905.db2.gz CJIUGFFWHLKURN-UHIISALHSA-N 1 0 384.274 1.199 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCc2c(Br)cccc2C1 ZINC000627439249 653075395 /nfs/dbraw/zinc/07/53/95/653075395.db2.gz DWODORGSEYXKES-HNNXBMFYSA-N 1 0 392.297 1.735 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627484530 653075616 /nfs/dbraw/zinc/07/56/16/653075616.db2.gz ABTOUXROGBJTSO-UHFFFAOYSA-N 1 0 386.290 1.279 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@H]21 ZINC000627648407 653077097 /nfs/dbraw/zinc/07/70/97/653077097.db2.gz JJGNUDYAIADSPV-KNCOVGOOSA-N 1 0 383.539 1.310 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000629173910 653135398 /nfs/dbraw/zinc/13/53/98/653135398.db2.gz LAUPZRNGJUWPIW-LLVKDONJSA-N 1 0 380.242 1.499 20 0 GDADRO O=C(NC[C@@H]1CCCN(Cc2ccncc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000629516426 653168279 /nfs/dbraw/zinc/16/82/79/653168279.db2.gz FIPKYCAXVUGZOP-XJKSGUPXSA-N 1 0 381.318 1.924 20 0 GDADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000629531759 653169113 /nfs/dbraw/zinc/16/91/13/653169113.db2.gz XFIIJJIWBIRNTQ-RDJZCZTQSA-N 1 0 393.329 1.682 20 0 GDADRO O=C1N[C@H]2CN(Cc3ccncc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000629543168 653171111 /nfs/dbraw/zinc/17/11/11/653171111.db2.gz VDISTRFUSFREMU-HOTGVXAUSA-N 1 0 394.317 1.564 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629784949 653181908 /nfs/dbraw/zinc/18/19/08/653181908.db2.gz BXMKPWDYVRHUET-HDICACEKSA-N 1 0 394.313 1.866 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000629793236 653182891 /nfs/dbraw/zinc/18/28/91/653182891.db2.gz BSWUFYOSFKKWJG-AWEZNQCLSA-N 1 0 398.301 1.928 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000629811547 653183826 /nfs/dbraw/zinc/18/38/26/653183826.db2.gz JTUSZTRVYMMXKY-GFCCVEGCSA-N 1 0 388.331 1.925 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000629912987 653192321 /nfs/dbraw/zinc/19/23/21/653192321.db2.gz QIKWDSKCUHVGJF-ABAIWWIYSA-N 1 0 386.279 1.529 20 0 GDADRO C[NH2+]C1(CNC(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CCC1 ZINC000630002357 653195947 /nfs/dbraw/zinc/19/59/47/653195947.db2.gz WCMOCZMQBNNFJI-SNVBAGLBSA-N 1 0 394.269 1.692 20 0 GDADRO O[C@@H](C[NH+]1CCN(c2cccc(Br)c2)CC1)CC1(O)CCOCC1 ZINC000630040362 653198502 /nfs/dbraw/zinc/19/85/02/653198502.db2.gz HIZIYFMHOLGLPP-QGZVFWFLSA-N 1 0 399.329 1.864 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)CC[N@@H+]1C ZINC000630624870 653218796 /nfs/dbraw/zinc/21/87/96/653218796.db2.gz QSLVTZYLDXKOBI-LSDHHAIUSA-N 1 0 385.555 1.748 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000630622297 653218815 /nfs/dbraw/zinc/21/88/15/653218815.db2.gz LLLXTQLBUOZWIA-UHFFFAOYSA-N 1 0 378.274 1.370 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2c(F)cncc2Br)C1 ZINC000630895760 653226092 /nfs/dbraw/zinc/22/60/92/653226092.db2.gz FNNPQJPIQPEQFP-JTQLQIEISA-N 1 0 387.253 1.300 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000631229099 653231959 /nfs/dbraw/zinc/23/19/59/653231959.db2.gz GTBLZYKESWXLEC-MXASKKJJSA-N 1 0 378.314 1.697 20 0 GDADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3c(F)cncc3Br)C2)CC1 ZINC000631258927 653232677 /nfs/dbraw/zinc/23/26/77/653232677.db2.gz FOMVSIJDSDWUMV-NSHDSACASA-N 1 0 385.281 1.882 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1 ZINC000631686020 653243843 /nfs/dbraw/zinc/24/38/43/653243843.db2.gz BSFNWHJWRUFSND-ZWNOBZJWSA-N 1 0 377.392 1.640 20 0 GDADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC(F)(F)F)CC1)C1CC1 ZINC000631744051 653248951 /nfs/dbraw/zinc/24/89/51/653248951.db2.gz KUMZOXGIDWPCRW-HUUCEWRRSA-N 1 0 383.480 1.996 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC000631785337 653253355 /nfs/dbraw/zinc/25/33/55/653253355.db2.gz OERUXBGGRHKGFA-AWEZNQCLSA-N 1 0 389.543 1.061 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCOC(C)(C)C)CC1 ZINC000631857758 653261348 /nfs/dbraw/zinc/26/13/48/653261348.db2.gz MUBYVBMFHVHAHG-IAGOWNOFSA-N 1 0 375.579 1.622 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCOC(C)(C)C)CC1 ZINC000631857759 653261489 /nfs/dbraw/zinc/26/14/89/653261489.db2.gz MUBYVBMFHVHAHG-IRXDYDNUSA-N 1 0 375.579 1.622 20 0 GDADRO O=C(CCN1CCC([NH2+]CCO)CC1)Nc1ccc(Br)cc1F ZINC000631864666 653261811 /nfs/dbraw/zinc/26/18/11/653261811.db2.gz QQEBWYMBHBGKQL-UHFFFAOYSA-N 1 0 388.281 1.963 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000631901964 653265626 /nfs/dbraw/zinc/26/56/26/653265626.db2.gz QHKVGPDARFNSDM-SNVBAGLBSA-N 1 0 388.291 1.078 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000631909282 653266829 /nfs/dbraw/zinc/26/68/29/653266829.db2.gz ADLUJSUJRDTOLP-UHFFFAOYSA-N 1 0 386.949 1.386 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000631914427 653268385 /nfs/dbraw/zinc/26/83/85/653268385.db2.gz RJKFVLVVJQQULH-UHFFFAOYSA-N 1 0 388.331 1.956 20 0 GDADRO O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631913614 653268509 /nfs/dbraw/zinc/26/85/09/653268509.db2.gz GCIUMBBAVZXSND-MRXNPFEDSA-N 1 0 386.901 1.553 20 0 GDADRO Cc1cc(Cl)ccc1OCCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631915569 653269354 /nfs/dbraw/zinc/26/93/54/653269354.db2.gz MTPDADOTHPYIST-UHFFFAOYSA-N 1 0 375.922 1.936 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1csnc1-c1ccccc1 ZINC000631916384 653269568 /nfs/dbraw/zinc/26/95/68/653269568.db2.gz XEIAWVAKVJVNCM-CQSZACIVSA-N 1 0 380.539 1.724 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000631917220 653269884 /nfs/dbraw/zinc/26/98/84/653269884.db2.gz GOAMCNWBKMWAAN-WFASDCNBSA-N 1 0 378.853 1.171 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000631917468 653270008 /nfs/dbraw/zinc/27/00/08/653270008.db2.gz KWZYCLKQXVTVIB-DOMZBBRYSA-N 1 0 395.308 1.685 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC1(c2ccccc2Br)CC1 ZINC000631923134 653271751 /nfs/dbraw/zinc/27/17/51/653271751.db2.gz NKODIUUSNAKAMW-GFCCVEGCSA-N 1 0 389.315 1.389 20 0 GDADRO COc1ccc(-c2csc(CNS(=O)(=O)C[C@H]3C[NH2+]CCO3)c2)cc1 ZINC000631925358 653272176 /nfs/dbraw/zinc/27/21/76/653272176.db2.gz TWSSIBKUUSKORK-MRXNPFEDSA-N 1 0 382.507 1.832 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631927136 653272917 /nfs/dbraw/zinc/27/29/17/653272917.db2.gz QVJBEZLWPLYFOW-KGLIPLIRSA-N 1 0 391.331 1.678 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000631927684 653272973 /nfs/dbraw/zinc/27/29/73/653272973.db2.gz GABRWGIWGIEQKH-MNOVXSKESA-N 1 0 399.460 1.660 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000631932058 653273952 /nfs/dbraw/zinc/27/39/52/653273952.db2.gz LHDXOHVWGDGOMT-LDYMZIIASA-N 1 0 388.291 1.219 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000631934835 653274195 /nfs/dbraw/zinc/27/41/95/653274195.db2.gz LXHHTEXQFJYFSS-KWQFWETISA-N 1 0 388.291 1.077 20 0 GDADRO CC1(C)CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631951690 653277828 /nfs/dbraw/zinc/27/78/28/653277828.db2.gz NMKRXYVKYDLVQB-HOTGVXAUSA-N 1 0 388.917 1.810 20 0 GDADRO O=c1[nH]cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)s1 ZINC000631950140 653277870 /nfs/dbraw/zinc/27/78/70/653277870.db2.gz ACPPZPIRTFVQNR-CABZTGNLSA-N 1 0 375.422 1.551 20 0 GDADRO O=S(=O)(c1cc2c(cc1Br)OCCO2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631971071 653282235 /nfs/dbraw/zinc/28/22/35/653282235.db2.gz DNGWDLKKGSNAPA-AOOOYVTPSA-N 1 0 389.271 1.345 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000631973599 653282627 /nfs/dbraw/zinc/28/26/27/653282627.db2.gz KKAQFSVRYPXSTR-WCBMZHEXSA-N 1 0 388.287 1.444 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000632085091 653302407 /nfs/dbraw/zinc/30/24/07/653302407.db2.gz SPXVVMFAFOOVBS-HUUCEWRRSA-N 1 0 385.496 1.912 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@H](CCO)c1ccccc1Br ZINC000632198126 653315674 /nfs/dbraw/zinc/31/56/74/653315674.db2.gz UECMNGGJBWSGPU-CQSZACIVSA-N 1 0 379.320 1.744 20 0 GDADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000632337149 653340114 /nfs/dbraw/zinc/34/01/14/653340114.db2.gz VFWNOBYJVVULQF-JSGCOSHPSA-N 1 0 381.523 1.847 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)NCCCn1cc(Br)cn1 ZINC000632338689 653340509 /nfs/dbraw/zinc/34/05/09/653340509.db2.gz JNDFMRREGZEFQT-UHFFFAOYSA-N 1 0 379.324 1.441 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CCCNC3=O)nc12 ZINC000632439809 653358581 /nfs/dbraw/zinc/35/85/81/653358581.db2.gz JHVKBABPVHEDGV-ZDUSSCGKSA-N 1 0 379.258 1.590 20 0 GDADRO O=S(=O)(c1cnn(CC(F)F)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632451683 653359796 /nfs/dbraw/zinc/35/97/96/653359796.db2.gz XXQDFZAAXPXPCU-UHFFFAOYSA-N 1 0 378.445 1.024 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCOc2cccc(Br)c2C1 ZINC000632537314 653372683 /nfs/dbraw/zinc/37/26/83/653372683.db2.gz GKJBZIBLUJXXGW-UHFFFAOYSA-N 1 0 377.304 1.925 20 0 GDADRO CC(C)Oc1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000633004837 653418824 /nfs/dbraw/zinc/41/88/24/653418824.db2.gz IIAOSOPCTNUFKH-TXEJJXNPSA-N 1 0 396.285 1.853 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)C[C@H]1C[NH3+] ZINC000633025610 653421210 /nfs/dbraw/zinc/42/12/10/653421210.db2.gz UJIIQGISLMLSIT-NXEZZACHSA-N 1 0 381.889 1.794 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000633030946 653422150 /nfs/dbraw/zinc/42/21/50/653422150.db2.gz ABZLBLCPDMVFPP-OKILXGFUSA-N 1 0 395.301 1.412 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000633039251 653423140 /nfs/dbraw/zinc/42/31/40/653423140.db2.gz BVCFBUMPAQGVKT-VHSXEESVSA-N 1 0 390.267 1.905 20 0 GDADRO O=C(c1ccc2cncc(Br)c2n1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000633069243 653425539 /nfs/dbraw/zinc/42/55/39/653425539.db2.gz JKGGHHGLWCWJSS-STQMWFEESA-N 1 0 391.269 1.673 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000633104346 653427649 /nfs/dbraw/zinc/42/76/49/653427649.db2.gz DBZJOBZDUDYAAP-UHFFFAOYSA-N 1 0 386.265 1.886 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000633111756 653428039 /nfs/dbraw/zinc/42/80/39/653428039.db2.gz YVCLXVBDHZFWIJ-UHFFFAOYSA-N 1 0 387.322 1.814 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633556949 653455319 /nfs/dbraw/zinc/45/53/19/653455319.db2.gz YVDYXYRNSJWRSI-NSHDSACASA-N 1 0 394.273 1.289 20 0 GDADRO C[C@H]1CN(CCNC(=O)c2cc(Br)c3nccn3c2)[C@@H](C)CO1 ZINC000633616701 653458378 /nfs/dbraw/zinc/45/83/78/653458378.db2.gz JKRVMOOZSQLUFI-RYUDHWBXSA-N 1 0 381.274 1.936 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN1C(=O)C[C@]2(CCc3cc(Br)ccc32)C1=O ZINC000634651973 653496445 /nfs/dbraw/zinc/49/64/45/653496445.db2.gz DLZYZNQXDGOQNO-KSSFIOAISA-N 1 0 395.297 1.705 20 0 GDADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634722397 653497596 /nfs/dbraw/zinc/49/75/96/653497596.db2.gz OJAJXSNEBGOQOM-HOCLYGCPSA-N 1 0 390.311 1.663 20 0 GDADRO O[C@@H](C[NH2+]C1CN(c2ccncn2)C1)COc1ccc(Br)cc1 ZINC000634728752 653497736 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COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000649762015 653673562 /nfs/dbraw/zinc/67/35/62/653673562.db2.gz SYXHTCJKMFNJSD-JHJVBQTASA-N 1 0 394.693 1.924 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]CC[C@]2(O)CCOC2)c2cc(Br)ccc21 ZINC000652262483 653886744 /nfs/dbraw/zinc/88/67/44/653886744.db2.gz WUTFKXIKMJONOH-ZFWWWQNUSA-N 1 0 390.299 1.799 20 0 GDADRO O=S(=O)(c1ccc2c(c1)CS(=O)(=O)C2)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000652371770 653889291 /nfs/dbraw/zinc/88/92/91/653889291.db2.gz BYVWAIDYQXXZSM-IAGOWNOFSA-N 1 0 384.523 1.410 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000652634230 653894721 /nfs/dbraw/zinc/89/47/21/653894721.db2.gz VWPBQZDIILHKOZ-UHFFFAOYSA-N 1 0 376.201 1.911 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000653065052 653905034 /nfs/dbraw/zinc/90/50/34/653905034.db2.gz RDOHJKWBULLRPN-OAHLLOKOSA-N 1 0 387.311 1.557 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@H](N)CC[NH+](C)C)C2=O)ccc1Br ZINC000653155278 653907257 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GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000658388784 654188998 /nfs/dbraw/zinc/18/89/98/654188998.db2.gz CDXTVHAIHGDPFL-UHFFFAOYSA-N 1 0 377.532 1.586 20 0 GDADRO CCN(C(=O)C(=O)Nc1cc(Br)cn(C)c1=O)[C@H]1CC[N@H+](CC)C1 ZINC000658467148 654194221 /nfs/dbraw/zinc/19/42/21/654194221.db2.gz BRKIKVLHUBQZGZ-LBPRGKRZSA-N 1 0 399.289 1.029 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCC23CC(C2)C[NH2+]3)s1 ZINC000659428788 654226441 /nfs/dbraw/zinc/22/64/41/654226441.db2.gz CCZKQLUZKNUWNB-UHFFFAOYSA-N 1 0 386.543 1.330 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659438561 654226483 /nfs/dbraw/zinc/22/64/83/654226483.db2.gz BBXVNLQUEMFKJT-JTQLQIEISA-N 1 0 394.273 1.834 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CC3CC2(C[NH3+])C3)s1 ZINC000659428950 654226721 /nfs/dbraw/zinc/22/67/21/654226721.db2.gz FFDZWJMXIYZYKV-UHFFFAOYSA-N 1 0 386.543 1.411 20 0 GDADRO O=C(NCCNC(=O)c1cccc(Br)c1)NCC12CC(C1)C[NH2+]2 ZINC000659447372 654227039 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O=C(NCCN1CC[NH2+]CC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841920179 655354786 /nfs/dbraw/zinc/35/47/86/655354786.db2.gz IDLMQAURLBBSNO-MRXNPFEDSA-N 1 0 397.317 1.437 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC=C(Br)C1 ZINC000841993105 655354968 /nfs/dbraw/zinc/35/49/68/655354968.db2.gz SRPGMVJUSGHRTB-NSHDSACASA-N 1 0 385.228 1.517 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)CC1 ZINC000842022374 655355503 /nfs/dbraw/zinc/35/55/03/655355503.db2.gz YLOKKNWZZFMVRT-UHFFFAOYSA-N 1 0 384.933 1.542 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000817676189 655356690 /nfs/dbraw/zinc/35/66/90/655356690.db2.gz GAXWNZCBZCBLFG-MRVPVSSYSA-N 1 0 396.332 1.324 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CSCCS2)C2CC3CC(C2)CC1C3 ZINC000842127065 655357090 /nfs/dbraw/zinc/35/70/90/655357090.db2.gz ITOMGCGUNISBJW-PETOAZBISA-N 1 0 383.583 1.221 20 0 GDADRO [NH3+]CCc1ccc(CNC(=O)C(=O)NCc2sccc2Br)cc1 ZINC000842161610 655357774 /nfs/dbraw/zinc/35/77/74/655357774.db2.gz 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655374369 /nfs/dbraw/zinc/37/43/69/655374369.db2.gz DVHWMBRPJBGNTI-UHFFFAOYSA-N 1 0 393.506 1.478 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000842736407 655374372 /nfs/dbraw/zinc/37/43/72/655374372.db2.gz DBHPWZVQZGQEKD-UHFFFAOYSA-N 1 0 393.303 1.841 20 0 GDADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000842737929 655374477 /nfs/dbraw/zinc/37/44/77/655374477.db2.gz SAVBPEHDSDPVHG-UHFFFAOYSA-N 1 0 380.919 1.634 20 0 GDADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842737177 655374503 /nfs/dbraw/zinc/37/45/03/655374503.db2.gz WGSITPZJVSOYEF-SNVBAGLBSA-N 1 0 386.417 1.353 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)ccc1Cl ZINC000842739983 655374642 /nfs/dbraw/zinc/37/46/42/655374642.db2.gz JLTXKJNPFDWSBO-UHFFFAOYSA-N 1 0 390.889 1.645 20 0 GDADRO [NH3+]C1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000818461504 655374700 /nfs/dbraw/zinc/37/47/00/655374700.db2.gz SIMQQOLPYNIOJO-UHFFFAOYSA-N 1 0 377.388 1.030 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1Cl ZINC000818519209 655375708 /nfs/dbraw/zinc/37/57/08/655375708.db2.gz WBFBFWIHILEKAK-RISCZKNCSA-N 1 0 389.905 1.721 20 0 GDADRO CN(CC(=O)NCc1ccc(CC[NH3+])cc1)C(=O)c1ccc(Br)o1 ZINC000818536159 655376220 /nfs/dbraw/zinc/37/62/20/655376220.db2.gz ZRPXBMHQMUCTOX-UHFFFAOYSA-N 1 0 394.269 1.932 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C2CCC([NH3+])CC2)s1 ZINC000818528963 655376259 /nfs/dbraw/zinc/37/62/59/655376259.db2.gz PHQVLJUKTIXNAH-NRXISQOPSA-N 1 0 385.555 1.938 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818563833 655376517 /nfs/dbraw/zinc/37/65/17/655376517.db2.gz SQMPLIZRRRPHEA-UWVGGRQHSA-N 1 0 375.288 1.662 20 0 GDADRO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NC[C@H](C)C[NH3+])cc21 ZINC000842784461 655376744 /nfs/dbraw/zinc/37/67/44/655376744.db2.gz GCPGABCVTQZLCP-SECBINFHSA-N 1 0 390.303 1.231 20 0 GDADRO COC[C@@]1(CNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCC[NH2+]1 ZINC000818589571 655376778 /nfs/dbraw/zinc/37/67/78/655376778.db2.gz FLKAZHLDCSOSFD-AWEZNQCLSA-N 1 0 380.388 1.479 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000842787124 655376853 /nfs/dbraw/zinc/37/68/53/655376853.db2.gz IPCLVMMBBHRESJ-VHSXEESVSA-N 1 0 391.287 1.594 20 0 GDADRO C[C@H](CC[NH3+])NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842791290 655377288 /nfs/dbraw/zinc/37/72/88/655377288.db2.gz VGRKDURTHGLWEH-SSDOTTSWSA-N 1 0 381.683 1.766 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)CC[NH3+])c1 ZINC000842790826 655377302 /nfs/dbraw/zinc/37/73/02/655377302.db2.gz OEGLKGOYXQFFOK-NSHDSACASA-N 1 0 397.950 1.386 20 0 GDADRO C[C@H](CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000818621590 655377498 /nfs/dbraw/zinc/37/74/98/655377498.db2.gz XSNWLXSTIVHDLX-UPJWGTAASA-N 1 0 388.921 1.343 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)OC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000842828295 655380003 /nfs/dbraw/zinc/38/00/03/655380003.db2.gz AWEFAYDOOFKVTF-HUUCEWRRSA-N 1 0 380.576 1.711 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1Br ZINC000842833215 655380310 /nfs/dbraw/zinc/38/03/10/655380310.db2.gz IYPHREABHCNQEZ-ZANVPECISA-N 1 0 391.287 1.512 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c(Br)o1 ZINC000842836150 655380387 /nfs/dbraw/zinc/38/03/87/655380387.db2.gz OXSBCCXXKZFQPX-HTQZYQBOSA-N 1 0 381.248 1.200 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000842837549 655380561 /nfs/dbraw/zinc/38/05/61/655380561.db2.gz QSEJYHMYPSXPKE-BDAKNGLRSA-N 1 0 381.267 1.968 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C(F)F ZINC000842862417 655381364 /nfs/dbraw/zinc/38/13/64/655381364.db2.gz NAGRPDWHKRAXJZ-HNNXBMFYSA-N 1 0 394.465 1.447 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2cc(Br)cnc2Cl)CCC[NH2+]1 ZINC000842859645 655381383 /nfs/dbraw/zinc/38/13/83/655381383.db2.gz QUVJXHIVWQJAPB-LBPRGKRZSA-N 1 0 398.710 1.544 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c(Cl)s1 ZINC000842872756 655381923 /nfs/dbraw/zinc/38/19/23/655381923.db2.gz HMDKKALEGFAZRD-UHFFFAOYSA-N 1 0 398.959 1.569 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CCC[NH3+])ccc1Br ZINC000842877438 655382235 /nfs/dbraw/zinc/38/22/35/655382235.db2.gz DNHUINXZBMILKH-VIFPVBQESA-N 1 0 379.276 1.641 20 0 GDADRO C[C@](O)(C[NH2+]CCCN1C(=O)CCC1=O)c1ccc(Br)cc1F ZINC000819022895 655383253 /nfs/dbraw/zinc/38/32/53/655383253.db2.gz CPUWKWGPUZRXES-INIZCTEOSA-N 1 0 387.249 1.924 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1cccc(Br)c1)NCC1CCC1 ZINC000819048521 655383819 /nfs/dbraw/zinc/38/38/19/655383819.db2.gz JLHXOJFQTHZENW-OAHLLOKOSA-N 1 0 391.331 1.792 20 0 GDADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000819060168 655384450 /nfs/dbraw/zinc/38/44/50/655384450.db2.gz DSPUYHIBWBUCFT-ZDUSSCGKSA-N 1 0 394.331 1.992 20 0 GDADRO C[C@@](O)(C[NH2+]CCN1C(=O)CNC1=O)c1ccc(Br)cc1Cl ZINC000819065826 655384552 /nfs/dbraw/zinc/38/45/52/655384552.db2.gz ODEAOGLGAWTXPO-CQSZACIVSA-N 1 0 390.665 1.451 20 0 GDADRO [NH3+]CCCCCCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000842922768 655384744 /nfs/dbraw/zinc/38/47/44/655384744.db2.gz UEEXTKWDBLAWRL-UHFFFAOYSA-N 1 0 381.420 1.776 20 0 GDADRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C1 ZINC000819139188 655386940 /nfs/dbraw/zinc/38/69/40/655386940.db2.gz LRARDIAADWWTRX-XXAQJILISA-N 1 0 381.560 1.412 20 0 GDADRO COC(=O)N1CC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000819177954 655387598 /nfs/dbraw/zinc/38/75/98/655387598.db2.gz OAIGUZMNMFBTNP-LLVKDONJSA-N 1 0 393.665 1.882 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819187450 655387942 /nfs/dbraw/zinc/38/79/42/655387942.db2.gz KPVUJZKQNMANJA-BXUZGUMPSA-N 1 0 377.304 1.354 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@@H](O)c1ccc(F)cc1 ZINC000843074867 655388017 /nfs/dbraw/zinc/38/80/17/655388017.db2.gz PDCSCJNMRRAPGR-MLGOLLRUSA-N 1 0 375.462 1.594 20 0 GDADRO Cn1cc([C@H](O)C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)cn1 ZINC000843093910 655388306 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CN(C)S(=O)(=O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819324507 655389913 /nfs/dbraw/zinc/38/99/13/655389913.db2.gz PTUBEGRRDUXPHK-CYBMUJFWSA-N 1 0 383.283 1.277 20 0 GDADRO C[C@@](O)(C[NH2+]CCCCS(N)(=O)=O)c1ccc(Br)cc1F ZINC000819332213 655390107 /nfs/dbraw/zinc/39/01/07/655390107.db2.gz OIPFOXGEYRPCNO-CYBMUJFWSA-N 1 0 383.283 1.454 20 0 GDADRO C[C@](O)(C[NH2+][C@H]1CCc2nnnn2CC1)c1ccc(Br)cc1F ZINC000819376027 655390825 /nfs/dbraw/zinc/39/08/25/655390825.db2.gz ZROLGLDVYFMZLR-NHYWBVRUSA-N 1 0 384.253 1.777 20 0 GDADRO Cc1cc([C@@H]([NH3+])CC(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc(Cl)n1 ZINC000843373241 655393944 /nfs/dbraw/zinc/39/39/44/655393944.db2.gz BUKVNIQTCLLFPM-AWEZNQCLSA-N 1 0 382.873 1.861 20 0 GDADRO C[C@@]1(F)C[NH2+]CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000843386909 655394030 /nfs/dbraw/zinc/39/40/30/655394030.db2.gz BZOFGFWVPVYIRL-OAHLLOKOSA-N 1 0 379.404 1.255 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843412997 655394581 /nfs/dbraw/zinc/39/45/81/655394581.db2.gz CVIUXGFTBSHEMC-ZDUSSCGKSA-N 1 0 384.274 1.581 20 0 GDADRO C[C@@H](CC(=O)NCC1(C)CC[NH2+]CC1)NS(=O)(=O)c1cccnc1Cl ZINC000843454312 655395180 /nfs/dbraw/zinc/39/51/80/655395180.db2.gz QTDWHMGEHRRBKF-LBPRGKRZSA-N 1 0 388.921 1.298 20 0 GDADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cc(I)c[nH]1 ZINC000843457420 655395334 /nfs/dbraw/zinc/39/53/34/655395334.db2.gz LVQDAIJJMFCLHN-UHFFFAOYSA-N 1 0 385.209 1.993 20 0 GDADRO CN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000843494273 655396953 /nfs/dbraw/zinc/39/69/53/655396953.db2.gz AAWLBVFKPFSTMF-ZFWWWQNUSA-N 1 0 384.274 1.203 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1csc(Br)n1 ZINC000820035222 655401714 /nfs/dbraw/zinc/40/17/14/655401714.db2.gz HLTQONPZKZAQGI-NSHDSACASA-N 1 0 389.319 1.042 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3cccnc3Br)CC2)C1=O ZINC000843885423 655402553 /nfs/dbraw/zinc/40/25/53/655402553.db2.gz ILIBWURYQHVOPB-CQSZACIVSA-N 1 0 395.301 1.198 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)/C=C/c3ccc(Br)o3)CC2)C1=O ZINC000843885173 655402566 /nfs/dbraw/zinc/40/25/66/655402566.db2.gz GVTSHXRYNLERIO-KQIUPUNMSA-N 1 0 396.285 1.867 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)CCO2 ZINC000844096651 655407042 /nfs/dbraw/zinc/40/70/42/655407042.db2.gz KRLQYJXWTGNDEV-UHFFFAOYSA-N 1 0 386.901 1.680 20 0 GDADRO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844397630 655409979 /nfs/dbraw/zinc/40/99/79/655409979.db2.gz NPNITHMWRYGEFK-GJZGRUSLSA-N 1 0 377.551 1.941 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3cnn4cccc(Br)c34)C2)CC1 ZINC000820494789 655410765 /nfs/dbraw/zinc/41/07/65/655410765.db2.gz KWBYPILPIODHCN-UHFFFAOYSA-N 1 0 392.301 1.416 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(Br)nc3)CC2)C1=O ZINC000820626725 655413244 /nfs/dbraw/zinc/41/32/44/655413244.db2.gz JHPXDYIQYNWUIU-ZDUSSCGKSA-N 1 0 381.274 1.269 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000821410368 655429550 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CC(C)(C)NS(=O)(=O)CC[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845926251 655439038 /nfs/dbraw/zinc/43/90/38/655439038.db2.gz FLKPRNUIOHWDQT-UHFFFAOYSA-N 1 0 377.551 1.987 20 0 GDADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc(N)nc(Br)c2)CC1 ZINC000822038227 655439934 /nfs/dbraw/zinc/43/99/34/655439934.db2.gz QNPREHKREJKZGZ-UHFFFAOYSA-N 1 0 384.322 1.572 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000846033888 655445852 /nfs/dbraw/zinc/44/58/52/655445852.db2.gz XSRFFGAZVCFCAN-KFWWJZLASA-N 1 0 375.535 1.788 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(C)CCN1CCCCC1 ZINC000846040383 655446123 /nfs/dbraw/zinc/44/61/23/655446123.db2.gz WYSJSMSNTGMRDW-UHFFFAOYSA-N 1 0 375.878 1.628 20 0 GDADRO CCn1ncc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1Br ZINC000822507544 655446642 /nfs/dbraw/zinc/44/66/42/655446642.db2.gz XYBUONXKFKMREX-LBPRGKRZSA-N 1 0 385.306 1.991 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCC1(CO)CCC1 ZINC000846103319 655447421 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[NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C(=O)NCCSC(F)(F)F)C2)C1 ZINC000846345767 655452581 /nfs/dbraw/zinc/45/25/81/655452581.db2.gz YLSQDSKAFRRHPG-QJPTWQEYSA-N 1 0 383.436 1.101 20 0 GDADRO O=C(NCC1SCCS1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000823402151 655462551 /nfs/dbraw/zinc/46/25/51/655462551.db2.gz DZRFAPQWNBVOST-HZPDHXFCSA-N 1 0 381.567 1.975 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)C1 ZINC000846917750 655462859 /nfs/dbraw/zinc/46/28/59/655462859.db2.gz CYYFWBZBEYHQQE-PBHICJAKSA-N 1 0 376.519 1.115 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(F)cc(Br)c1F ZINC000823567506 655464948 /nfs/dbraw/zinc/46/49/48/655464948.db2.gz QVUOMYOPZREQCR-VIFPVBQESA-N 1 0 390.228 1.919 20 0 GDADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000824023836 655470485 /nfs/dbraw/zinc/47/04/85/655470485.db2.gz YNTNQJLFNBORRO-BBRMVZONSA-N 1 0 388.555 1.925 20 0 GDADRO Cc1c(Cl)c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)sc1S(N)(=O)=O ZINC000824083912 655471331 /nfs/dbraw/zinc/47/13/31/655471331.db2.gz CVALAWFITRVWMF-IUCAKERBSA-N 1 0 379.935 1.816 20 0 GDADRO CC(C)(O)C[NH+]1CCN(c2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000824172662 655472263 /nfs/dbraw/zinc/47/22/63/655472263.db2.gz NGYFQRKPHPFOOD-UHFFFAOYSA-N 1 0 381.278 1.522 20 0 GDADRO C[C@@H]([NH2+]C1CC(NS(C)(=O)=O)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824344571 655474394 /nfs/dbraw/zinc/47/43/94/655474394.db2.gz PGPFQTPUNMRKSG-XSCHDIRWSA-N 1 0 375.535 1.834 20 0 GDADRO C[NH+]1CCC(OCC(=O)N[C@@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000824461899 655475779 /nfs/dbraw/zinc/47/57/79/655475779.db2.gz JYEVTHXCZGCUDT-KRWDZBQOSA-N 1 0 385.302 1.884 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cnc1Br ZINC000824668849 655478776 /nfs/dbraw/zinc/47/87/76/655478776.db2.gz WYXREOJMJXTMJW-WCQYABFASA-N 1 0 381.274 1.644 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3csc(I)n3)CC[C@@H]21 ZINC000827253382 655508258 /nfs/dbraw/zinc/50/82/58/655508258.db2.gz GURMHZLKVGJIHE-WPRPVWTQSA-N 1 0 377.251 1.914 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc2c(Br)cnn2c1 ZINC000824958157 655482754 /nfs/dbraw/zinc/48/27/54/655482754.db2.gz SRQKQMKNMIRNSE-UHFFFAOYSA-N 1 0 382.306 1.710 20 0 GDADRO Cc1n[nH]c(C(=O)N2CCN(CCc3ccncc3)CC2)c1Br ZINC000825105254 655484398 /nfs/dbraw/zinc/48/43/98/655484398.db2.gz JOAALPCJJGHAEO-UHFFFAOYSA-N 1 0 378.274 1.876 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccncc2Br)cn1 ZINC000825221685 655485917 /nfs/dbraw/zinc/48/59/17/655485917.db2.gz CZMPKUOAHPCVCF-GJZGRUSLSA-N 1 0 392.301 1.929 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000825263426 655486864 /nfs/dbraw/zinc/48/68/64/655486864.db2.gz QULUKMVYSZHXNT-LBPRGKRZSA-N 1 0 375.288 1.723 20 0 GDADRO O=C(c1c(Br)nc2n1CCC2)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000825432669 655489322 /nfs/dbraw/zinc/48/93/22/655489322.db2.gz PPEBXUDPNOBDHS-ZDUSSCGKSA-N 1 0 397.317 1.919 20 0 GDADRO C[C@@]([NH3+])(C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(Br)cc1 ZINC000848443768 655490446 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1.851 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000826795864 655501082 /nfs/dbraw/zinc/50/10/82/655501082.db2.gz FDGZSVSRSFOCSW-LLVKDONJSA-N 1 0 378.217 1.976 20 0 GDADRO C[NH+]1CCN(c2cccc(C(=O)NCc3ccc(Br)cn3)n2)CC1 ZINC000826821402 655501550 /nfs/dbraw/zinc/50/15/50/655501550.db2.gz XMFHWOVNTXOZQR-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000826985703 655504100 /nfs/dbraw/zinc/50/41/00/655504100.db2.gz KXPNBHIJISMIHL-ZQDZILKHSA-N 1 0 376.519 1.424 20 0 GDADRO C[C@@H](C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000827044265 655504640 /nfs/dbraw/zinc/50/46/40/655504640.db2.gz LCMBAZWUVBLZJV-NSHDSACASA-N 1 0 387.445 1.760 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(Br)cc3-n3cnnn3)CC[C@@H]21 ZINC000827221248 655507914 /nfs/dbraw/zinc/50/79/14/655507914.db2.gz WCEYESBFMXAYEG-FZMZJTMJSA-N 1 0 391.273 1.591 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)sc1S(N)(=O)=O ZINC000827267279 655508374 /nfs/dbraw/zinc/50/83/74/655508374.db2.gz MGGIYPVRWROXRE-NXEZZACHSA-N 1 0 377.919 1.524 20 0 GDADRO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C(=O)c1ccc(Br)o1 ZINC000827339479 655509339 /nfs/dbraw/zinc/50/93/39/655509339.db2.gz TYRWMSSAMNKRNZ-NWDGAFQWSA-N 1 0 384.274 1.667 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)CC[C@@H]21 ZINC000827353172 655509574 /nfs/dbraw/zinc/50/95/74/655509574.db2.gz AIMHTTZUSPYJRR-KBPBESRZSA-N 1 0 383.539 1.699 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CSCC(=O)N1)c1cccc(C(F)(F)F)c1 ZINC000827824966 655516875 /nfs/dbraw/zinc/51/68/75/655516875.db2.gz LKQFAPHVFSSVSS-OLZOCXBDSA-N 1 0 375.416 1.656 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=[NH2+])N2CCOCC2)cc1Br ZINC000849114999 655517486 /nfs/dbraw/zinc/51/74/86/655517486.db2.gz AZOMSFFOAQKWON-CYBMUJFWSA-N 1 0 386.290 1.465 20 0 GDADRO O=C(N[C@@H]1COc2cccc(Br)c2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000828027388 655518500 /nfs/dbraw/zinc/51/85/00/655518500.db2.gz QROMHAPDOAWJFH-SWLSCSKDSA-N 1 0 380.286 1.259 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)N2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000828195706 655519925 /nfs/dbraw/zinc/51/99/25/655519925.db2.gz HWBJNVQIEUJJTA-UHFFFAOYSA-N 1 0 385.306 1.891 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cncc(Br)c1)CCO2 ZINC000828252293 655520069 /nfs/dbraw/zinc/52/00/69/655520069.db2.gz TVYNWYJYUYHMKL-UHFFFAOYSA-N 1 0 390.303 1.329 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Br)c[nH]c2=O)cn1 ZINC000849510179 655542415 /nfs/dbraw/zinc/54/24/15/655542415.db2.gz OSCARNFJGGWHNL-OLZOCXBDSA-N 1 0 394.273 1.957 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc(Br)ccc2O)cn1 ZINC000849582553 655542511 /nfs/dbraw/zinc/54/25/11/655542511.db2.gz NQQCXBNWZSSAKS-VXGBXAGGSA-N 1 0 394.273 1.957 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1cncc(C)n1 ZINC000850390884 655554120 /nfs/dbraw/zinc/55/41/20/655554120.db2.gz WYVLVGDTTAJUKV-AWEZNQCLSA-N 1 0 383.905 1.635 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850549627 655558728 /nfs/dbraw/zinc/55/87/28/655558728.db2.gz ILJRGMHSTCPFCY-JTQLQIEISA-N 1 0 399.289 1.780 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cc2C1 ZINC000850588127 655559266 /nfs/dbraw/zinc/55/92/66/655559266.db2.gz UJUAJIBXGSSLJO-KRWDZBQOSA-N 1 0 383.539 1.417 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000850627789 655561623 /nfs/dbraw/zinc/56/16/23/655561623.db2.gz CUIZQJKQLXWMPZ-VWLOTQADSA-N 1 0 377.388 1.273 20 0 GDADRO C[C@]1(CNC(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1(Cl)Cl ZINC000850820756 655568763 /nfs/dbraw/zinc/56/87/63/655568763.db2.gz QKLRZMVIKLPBNJ-XJKSGUPXSA-N 1 0 386.279 1.986 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000851669031 655590207 /nfs/dbraw/zinc/59/02/07/655590207.db2.gz KLYNYYFBLSZLQZ-IAGOWNOFSA-N 1 0 376.904 1.981 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000851672833 655590353 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GDADRO C[NH+]1CCN(c2ccc(CNC(=O)NCCC3SCCS3)cn2)CC1 ZINC000851941890 655604200 /nfs/dbraw/zinc/60/42/00/655604200.db2.gz DREWCNIVQDWGEX-UHFFFAOYSA-N 1 0 381.571 1.829 20 0 GDADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000852034427 655606290 /nfs/dbraw/zinc/60/62/90/655606290.db2.gz AJPHGNRODLQYCD-YYPKPTOCSA-N 1 0 384.420 1.504 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000852084636 655607417 /nfs/dbraw/zinc/60/74/17/655607417.db2.gz AQRICYLOMMSQRM-AWEZNQCLSA-N 1 0 380.403 1.350 20 0 GDADRO O=C(NCC[S@@](=O)CC(F)(F)F)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000852462965 655615854 /nfs/dbraw/zinc/61/58/54/655615854.db2.gz SAKIKCAHGLOHFV-ZJWNCGCPSA-N 1 0 385.452 1.240 20 0 GDADRO CC(C)(C)n1ncc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c1Br ZINC000852799928 655622935 /nfs/dbraw/zinc/62/29/35/655622935.db2.gz XRXMKTLFGNLKOA-UHFFFAOYSA-N 1 0 397.281 1.181 20 0 GDADRO O=C(CC[C@@H]1CC1(Cl)Cl)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000852834485 655623862 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[NH3+]C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)CCCO1 ZINC000852889074 655625233 /nfs/dbraw/zinc/62/52/33/655625233.db2.gz BGNGEORXJDCZMW-CYBMUJFWSA-N 1 0 379.258 1.825 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000852896293 655625655 /nfs/dbraw/zinc/62/56/55/655625655.db2.gz XGKGPJFXHKYPFW-XQQFMLRXSA-N 1 0 385.306 1.850 20 0 GDADRO C[C@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1(Br)Br ZINC000852919202 655628255 /nfs/dbraw/zinc/62/82/55/655628255.db2.gz RGPNZENYVCIGBW-SNVBAGLBSA-N 1 0 394.067 1.153 20 0 GDADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C1=NO[C@H](C[NH3+])C1)C2 ZINC000852923760 655628421 /nfs/dbraw/zinc/62/84/21/655628421.db2.gz ISMNWLRGJHSGET-LURJTMIESA-N 1 0 388.243 1.243 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c(F)cc1Br ZINC000853083629 655632491 /nfs/dbraw/zinc/63/24/91/655632491.db2.gz YIDQQJVDJMKWAC-CYBMUJFWSA-N 1 0 395.250 1.405 20 0 GDADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000853244958 655637346 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Cn1nc(Br)cc1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000856409874 655712897 /nfs/dbraw/zinc/71/28/97/655712897.db2.gz CATMXWQROSDTHJ-GFCCVEGCSA-N 1 0 385.306 1.898 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000856757781 655717365 /nfs/dbraw/zinc/71/73/65/655717365.db2.gz TVRZAGIVGZNITP-QWHCGFSZSA-N 1 0 385.452 1.191 20 0 GDADRO CN(OCC(F)(F)F)C(=O)CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000857001430 655725231 /nfs/dbraw/zinc/72/52/31/655725231.db2.gz JCQTZOIMJCWVHD-LLVKDONJSA-N 1 0 382.408 1.602 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000857114638 655728001 /nfs/dbraw/zinc/72/80/01/655728001.db2.gz YSVNGFKXKVIOFR-NWDGAFQWSA-N 1 0 398.305 1.942 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000857114637 655728077 /nfs/dbraw/zinc/72/80/77/655728077.db2.gz YSOYBTOMUUPGQJ-JTQLQIEISA-N 1 0 380.923 1.155 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(Br)nc2n1CCOC2 ZINC000857148342 655729111 /nfs/dbraw/zinc/72/91/11/655729111.db2.gz BLUMGFMVQQTZIA-LLVKDONJSA-N 1 0 389.294 1.262 20 0 GDADRO CS[C@H]1CN(C(=O)c2c(Br)nc3n2CCOC3)C[C@@H]1[NH+](C)C ZINC000857164941 655729677 /nfs/dbraw/zinc/72/96/77/655729677.db2.gz UPJVQVQTLNXYCJ-UWVGGRQHSA-N 1 0 389.319 1.293 20 0 GDADRO CN(C)c1c(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)ccc(F)c1F ZINC000858133508 655744827 /nfs/dbraw/zinc/74/48/27/655744827.db2.gz WTGAMLCEHXKISB-UHFFFAOYSA-N 1 0 375.485 1.629 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000858457077 655748343 /nfs/dbraw/zinc/74/83/43/655748343.db2.gz GFWDBWNPRSYHMO-UHFFFAOYSA-N 1 0 397.273 1.607 20 0 GDADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000858606762 655749926 /nfs/dbraw/zinc/74/99/26/655749926.db2.gz KKUVDRKOIYXUSO-LLVKDONJSA-N 1 0 379.404 1.808 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000858607427 655749947 /nfs/dbraw/zinc/74/99/47/655749947.db2.gz BYCQREOYRVKKBR-ZANVPECISA-N 1 0 377.850 1.255 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1)C(F)(F)F ZINC000858613705 655750356 /nfs/dbraw/zinc/75/03/56/655750356.db2.gz QVJKCFSWSJYNTH-GWCFXTLKSA-N 1 0 377.388 1.560 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C2 ZINC000858636026 655751651 /nfs/dbraw/zinc/75/16/51/655751651.db2.gz GZIWOMMYYKGKNS-BETUJISGSA-N 1 0 398.959 1.425 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1C ZINC000859084391 655762467 /nfs/dbraw/zinc/76/24/67/655762467.db2.gz DSODSLVSZYFWNQ-CABCVRRESA-N 1 0 387.527 1.839 20 0 GDADRO CSc1nsc(NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)n1 ZINC000859660000 655788394 /nfs/dbraw/zinc/78/83/94/655788394.db2.gz GRWTWWOBSUUFSK-ZJUUUORDSA-N 1 0 384.487 1.049 20 0 GDADRO C[NH+](C)CCCN(C(=O)[C@@H]1C[C@@]1(C)Br)[C@H]1CCS(=O)(=O)C1 ZINC000859940236 655791827 /nfs/dbraw/zinc/79/18/27/655791827.db2.gz BEFQGDSRQMSESK-SGMGOOAPSA-N 1 0 381.336 1.127 20 0 GDADRO CS(=O)(=O)CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 ZINC000860049984 655794294 /nfs/dbraw/zinc/79/42/94/655794294.db2.gz LGWACAMCLYMPPC-XUXIUFHCSA-N 1 0 382.448 1.542 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000860192986 655796290 /nfs/dbraw/zinc/79/62/90/655796290.db2.gz BYFXLPOMDBOSDS-WFASDCNBSA-N 1 0 380.432 2.000 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000861543163 655825544 /nfs/dbraw/zinc/82/55/44/655825544.db2.gz YPFZLTXLNRSXPV-JTQLQIEISA-N 1 0 380.246 1.379 20 0 GDADRO C[NH2+]CCOCCNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000861677554 655828078 /nfs/dbraw/zinc/82/80/78/655828078.db2.gz SBEJTWQIVRPQOV-OAHLLOKOSA-N 1 0 386.290 1.768 20 0 GDADRO O=C(c1cn2c(Br)cnc2s1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713855 655828816 /nfs/dbraw/zinc/82/88/16/655828816.db2.gz FNDXWGNDMRDGJK-NXEZZACHSA-N 1 0 385.287 1.439 20 0 GDADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713866 655828903 /nfs/dbraw/zinc/82/89/03/655828903.db2.gz FNJPAKXXHXWTKE-MNOVXSKESA-N 1 0 377.482 1.976 20 0 GDADRO Cc1ncc(CCNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000861733243 655829318 /nfs/dbraw/zinc/82/93/18/655829318.db2.gz VCSSIVORWMQLOV-JQWIXIFHSA-N 1 0 378.420 1.096 20 0 GDADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000861810489 655831338 /nfs/dbraw/zinc/83/13/38/655831338.db2.gz OBFZJAJIHDQYNE-OAHLLOKOSA-N 1 0 375.416 1.985 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000862206869 655841861 /nfs/dbraw/zinc/84/18/61/655841861.db2.gz VHXIQTHMEGICQW-NSHDSACASA-N 1 0 377.388 1.420 20 0 GDADRO CN(CCC[NH2+]C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000862270540 655843650 /nfs/dbraw/zinc/84/36/50/655843650.db2.gz YFNYPBQYRBNCCE-CYBMUJFWSA-N 1 0 379.523 1.230 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC000862274122 655843657 /nfs/dbraw/zinc/84/36/57/655843657.db2.gz FPTVVWASZPJZSI-VIFPVBQESA-N 1 0 375.338 1.899 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862274886 655843876 /nfs/dbraw/zinc/84/38/76/655843876.db2.gz WMOZVKPAGXXYEN-LBPRGKRZSA-N 1 0 385.477 1.550 20 0 GDADRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862290948 655843959 /nfs/dbraw/zinc/84/39/59/655843959.db2.gz IMENDSDPGOUWRH-UKRRQHHQSA-N 1 0 376.519 1.425 20 0 GDADRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862368378 655845332 /nfs/dbraw/zinc/84/53/32/655845332.db2.gz GOGJFIOWCRDCGY-MELADBBJSA-N 1 0 375.535 1.468 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000862402119 655845945 /nfs/dbraw/zinc/84/59/45/655845945.db2.gz ZKRCLFQOGNTICE-NEPJUHHUSA-N 1 0 383.461 1.255 20 0 GDADRO CC(C)C[C@H](C[NH2+]C1CN(S(=O)(=O)N(C)C)C1)NC(=O)OC(C)(C)C ZINC000862535884 655847117 /nfs/dbraw/zinc/84/71/17/655847117.db2.gz AXXCCRQFSTWVGU-CYBMUJFWSA-N 1 0 378.539 1.006 20 0 GDADRO CSCCCCCCNC(=S)NC[C@]1(CO)COCC2(CCC2)N1C ZINC000863209748 655862820 /nfs/dbraw/zinc/86/28/20/655862820.db2.gz FADLUQFRENYHHH-SFHVURJKSA-N 1 0 389.631 1.990 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ncc(C(F)(F)F)s2)CC1 ZINC000863643655 655878143 /nfs/dbraw/zinc/87/81/43/655878143.db2.gz RMIXBGXQNZEWBP-MNOVXSKESA-N 1 0 376.404 1.919 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000863750578 655879644 /nfs/dbraw/zinc/87/96/44/655879644.db2.gz RAQALRZMQNMFKB-FZMZJTMJSA-N 1 0 384.274 1.155 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000863765015 655880307 /nfs/dbraw/zinc/88/03/07/655880307.db2.gz LFJIVKILOMLXFN-DOMZBBRYSA-N 1 0 397.317 1.658 20 0 GDADRO COc1cc(/C=C/C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc(Br)c1O ZINC000863829312 655882660 /nfs/dbraw/zinc/88/26/60/655882660.db2.gz GHBUDGOODOCFNN-JDGPPOGSSA-N 1 0 385.258 1.359 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000864070336 655889206 /nfs/dbraw/zinc/88/92/06/655889206.db2.gz 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656120131 /nfs/dbraw/zinc/12/01/31/656120131.db2.gz BVBRELMVQAZOIR-IINYFYTJSA-N 1 0 382.877 1.235 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1 ZINC000867817111 656121104 /nfs/dbraw/zinc/12/11/04/656121104.db2.gz UNZVXGFCFWWQQC-UHFFFAOYSA-N 1 0 375.897 1.880 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3c(F)cccc3Cl)CC2)CC1 ZINC000867817311 656121339 /nfs/dbraw/zinc/12/13/39/656121339.db2.gz XRGYTIYGTWZLCS-UHFFFAOYSA-N 1 0 375.897 1.880 20 0 GDADRO COCCc1noc(CN(C)C(=O)[C@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867951311 656135259 /nfs/dbraw/zinc/13/52/59/656135259.db2.gz HGBAGRDPILZKGH-CQSZACIVSA-N 1 0 383.246 1.679 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1I ZINC000867970073 656136355 /nfs/dbraw/zinc/13/63/55/656136355.db2.gz XAPZRJFOAZMOOC-GXSJLCMTSA-N 1 0 376.242 1.796 20 0 GDADRO [NH3+]C[C@H](NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)C(F)(F)F ZINC000867983916 656137128 /nfs/dbraw/zinc/13/71/28/656137128.db2.gz SMUOHFIGLJPIFN-ZDUSSCGKSA-N 1 0 379.404 1.165 20 0 GDADRO 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O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923593996 656573998 /nfs/dbraw/zinc/57/39/98/656573998.db2.gz FINYYWQZWZFBGD-HNNXBMFYSA-N 1 0 385.917 1.109 20 0 GDADRO O=S(=O)(N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCC[NH2+]C1 ZINC000923610153 656576544 /nfs/dbraw/zinc/57/65/44/656576544.db2.gz MUGDTHHUQYQAMH-QWHCGFSZSA-N 1 0 388.331 1.699 20 0 GDADRO O=C(NC[C@H](n1cncn1)C(F)(F)F)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000923611638 656577017 /nfs/dbraw/zinc/57/70/17/656577017.db2.gz VSHRPCRWYPHANZ-WOPDTQHZSA-N 1 0 378.424 1.261 20 0 GDADRO COc1cc(Cl)c(C)cc1NC(=O)CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923623952 656577913 /nfs/dbraw/zinc/57/79/13/656577913.db2.gz AGYVQBRNXSSGLI-GFCCVEGCSA-N 1 0 389.905 1.657 20 0 GDADRO O=S(=O)(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1C[NH2+]C1 ZINC000923628119 656578542 /nfs/dbraw/zinc/57/85/42/656578542.db2.gz OWKVVJDVMSSMFQ-SECBINFHSA-N 1 0 384.811 1.224 20 0 GDADRO O=C(NCc1ccc(Br)cn1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000876214353 656579198 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C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000923704382 656593469 /nfs/dbraw/zinc/59/34/69/656593469.db2.gz SFSLAXXAIAQMSQ-NEPJUHHUSA-N 1 0 394.946 1.490 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923714717 656594561 /nfs/dbraw/zinc/59/45/61/656594561.db2.gz IEBNXONGJDRKOB-NWDGAFQWSA-N 1 0 387.889 1.537 20 0 GDADRO Cc1cc2c(cc1Br)CN(S(=O)(=O)C[C@@H]1C[NH2+]CCO1)CC2 ZINC000923746125 656597770 /nfs/dbraw/zinc/59/77/70/656597770.db2.gz MRUNLTYMHJNLRP-AWEZNQCLSA-N 1 0 389.315 1.434 20 0 GDADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)Cc2cncs2)n1 ZINC000876317490 656599754 /nfs/dbraw/zinc/59/97/54/656599754.db2.gz YZLSNDCMYYICHI-UHFFFAOYSA-N 1 0 382.511 1.843 20 0 GDADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc(Br)cs1 ZINC000876472059 656606688 /nfs/dbraw/zinc/60/66/88/656606688.db2.gz HDDJULYBXDVBAA-AWEZNQCLSA-N 1 0 377.304 1.930 20 0 GDADRO Cn1nc(I)cc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000876531635 656611066 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O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876629775 656619789 /nfs/dbraw/zinc/61/97/89/656619789.db2.gz MRKAMFLWBIHKNW-ZFWWWQNUSA-N 1 0 398.276 1.681 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)ccc1F ZINC000876676052 656623577 /nfs/dbraw/zinc/62/35/77/656623577.db2.gz JKIJOHZAYWYDIC-YGRLFVJLSA-N 1 0 375.441 1.789 20 0 GDADRO COC[C@@]1(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C[NH2+]CCO1 ZINC000876686080 656624104 /nfs/dbraw/zinc/62/41/04/656624104.db2.gz OUVJSGTYTPHYGG-MRXNPFEDSA-N 1 0 382.873 1.726 20 0 GDADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000876690187 656624124 /nfs/dbraw/zinc/62/41/24/656624124.db2.gz GYDWNPSZKIFREX-FEJXMBQESA-N 1 0 383.286 1.717 20 0 GDADRO Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876733367 656626930 /nfs/dbraw/zinc/62/69/30/656626930.db2.gz WPJDWMRRJYCJNR-GFCCVEGCSA-N 1 0 392.301 1.898 20 0 GDADRO C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000876776442 656629999 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20 0 GDADRO [NH3+]CC1(NC(=O)c2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000877045279 656649244 /nfs/dbraw/zinc/64/92/44/656649244.db2.gz USRYCRGACLGBJS-UHFFFAOYSA-N 1 0 380.246 1.268 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1I ZINC000877052351 656649765 /nfs/dbraw/zinc/64/97/65/656649765.db2.gz RCEHXZHOOSNXDD-VHSXEESVSA-N 1 0 376.242 1.939 20 0 GDADRO C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2CCN(c3cccc(Br)c3)C2)C1=O ZINC000924528228 656655344 /nfs/dbraw/zinc/65/53/44/656655344.db2.gz MQZQWOFFGNIPNM-WFASDCNBSA-N 1 0 395.301 1.757 20 0 GDADRO [NH3+][C@H](C(=O)NC[C@@H](n1cncn1)C(F)(F)F)c1cccc(Br)c1 ZINC000877148754 656656863 /nfs/dbraw/zinc/65/68/63/656656863.db2.gz UQAQCTGURTYYDB-MNOVXSKESA-N 1 0 392.179 1.960 20 0 GDADRO Cn1cc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)n1 ZINC000924556795 656657861 /nfs/dbraw/zinc/65/78/61/656657861.db2.gz HGLLHNXLTVPMNV-LBPRGKRZSA-N 1 0 386.294 1.046 20 0 GDADRO COc1ccc([C@@H]2CN(C(=O)CCn3cc(Br)cn3)C[C@H]2[NH3+])cc1 ZINC000877236317 656660303 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GDADRO C[NH+](C)C[C@@H]1NC(=O)N([C@@H]2CCN(c3ccccc3Br)C2)C1=O ZINC000924617597 656669614 /nfs/dbraw/zinc/66/96/14/656669614.db2.gz PDIRNKWQLBXJNO-YPMHNXCESA-N 1 0 381.274 1.510 20 0 GDADRO C[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000877363650 656669891 /nfs/dbraw/zinc/66/98/91/656669891.db2.gz GWUUTVRZWLJYNU-VHRBIJSZSA-N 1 0 378.416 1.789 20 0 GDADRO CN(C)c1cc[nH+]c(CNC(=O)N(C)CCn2cc(Br)cn2)c1 ZINC000924672451 656670580 /nfs/dbraw/zinc/67/05/80/656670580.db2.gz UIQKTBQRFYTECK-UHFFFAOYSA-N 1 0 381.278 1.948 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000877364683 656670549 /nfs/dbraw/zinc/67/05/49/656670549.db2.gz BXSOLOHNSPXAOD-DGCLKSJQSA-N 1 0 379.404 1.146 20 0 GDADRO CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000877365298 656670553 /nfs/dbraw/zinc/67/05/53/656670553.db2.gz DHTVYJAXXMVIJW-YPMHNXCESA-N 1 0 379.404 1.194 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 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AOIJVYALXFVKRX-UHFFFAOYSA-N 1 0 377.551 1.799 20 0 GDADRO CCOC(=O)N1CCC(C)(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000877518211 656678596 /nfs/dbraw/zinc/67/85/96/656678596.db2.gz HAJPQBFQXWCLFL-OAHLLOKOSA-N 1 0 375.535 1.649 20 0 GDADRO CCOP(=O)(CCC[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)OCC ZINC000877523357 656678660 /nfs/dbraw/zinc/67/86/60/656678660.db2.gz ITQGPCFRBLIPCY-CQSZACIVSA-N 1 0 385.467 1.503 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(C(=O)OC)c(Br)c1 ZINC000877562683 656680994 /nfs/dbraw/zinc/68/09/94/656680994.db2.gz ZGHAMRXUFSWNNC-LLVKDONJSA-N 1 0 393.303 1.653 20 0 GDADRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000924846024 656681994 /nfs/dbraw/zinc/68/19/94/656681994.db2.gz BPSQLOBCNPVZDI-QWRGUYRKSA-N 1 0 382.404 1.564 20 0 GDADRO C[C@]12C[N@H+](Cc3ccccc3I)C[C@@]1(C)C(=O)NC2=O ZINC000877668953 656687348 /nfs/dbraw/zinc/68/73/48/656687348.db2.gz RQDCLXKVLMVZDL-GASCZTMLSA-N 1 0 384.217 1.776 20 0 GDADRO C[NH+](C)C[C@@H]1NC(=O)N(Cc2c(F)c(F)c(Br)c(F)c2F)C1=O ZINC000924952835 656687973 /nfs/dbraw/zinc/68/79/73/656687973.db2.gz WKQGUURYDMMWNV-LURJTMIESA-N 1 0 398.154 1.988 20 0 GDADRO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000877700611 656688067 /nfs/dbraw/zinc/68/80/67/656688067.db2.gz FGRPFPQGGKEPLS-HUUCEWRRSA-N 1 0 375.535 1.884 20 0 GDADRO C[NH+](C)C[C@H]1NC(=O)N(CCc2ccc(I)cc2)C1=O ZINC000925000004 656691313 /nfs/dbraw/zinc/69/13/13/656691313.db2.gz MXPCZZJQAHSNIE-GFCCVEGCSA-N 1 0 387.221 1.316 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000877776186 656691696 /nfs/dbraw/zinc/69/16/96/656691696.db2.gz ADLFTAVAESSTTI-ZJUUUORDSA-N 1 0 397.282 1.470 20 0 GDADRO COc1ncc(Br)cc1CN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000925020698 656691702 /nfs/dbraw/zinc/69/17/02/656691702.db2.gz RTBYIIOUYANODC-CYBMUJFWSA-N 1 0 397.273 1.759 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCN(Cc2cscn2)CC1 ZINC000925151242 656696344 /nfs/dbraw/zinc/69/63/44/656696344.db2.gz ZXVIMRSNLSVLFH-HZPDHXFCSA-N 1 0 381.571 1.550 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925257798 656703079 /nfs/dbraw/zinc/70/30/79/656703079.db2.gz BQNMQUQYQRGNCR-UKRRQHHQSA-N 1 0 386.949 1.963 20 0 GDADRO Ic1ccccc1OC1CC[NH+](CCn2cnnn2)CC1 ZINC000878171904 656709845 /nfs/dbraw/zinc/70/98/45/656709845.db2.gz YGSIRYVHWVUDFB-UHFFFAOYSA-N 1 0 399.236 1.821 20 0 GDADRO CC(C)(CN[C@H]1C[NH2+]CCOC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000925505344 656714373 /nfs/dbraw/zinc/71/43/73/656714373.db2.gz RDTQEXLIYQLWQY-ZDUSSCGKSA-N 1 0 391.331 1.579 20 0 GDADRO C[C@@H](c1cccc(S(=O)(=O)N(C)C)c1)N1CCc2sc(C[NH3+])nc2C1 ZINC000925750252 656717790 /nfs/dbraw/zinc/71/77/90/656717790.db2.gz GGLXFGZYOCGLHT-LBPRGKRZSA-N 1 0 380.539 1.971 20 0 GDADRO C[C@@H](CNC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)C[NH+]1CCCC1 ZINC000878313957 656718053 /nfs/dbraw/zinc/71/80/53/656718053.db2.gz NULAWGHVVHUPJM-KBPBESRZSA-N 1 0 385.555 1.436 20 0 GDADRO CN(CC(=O)NC1CC[NH+](C)CC1)[C@@H](CO)c1cccc(Br)c1 ZINC000878328109 656718695 /nfs/dbraw/zinc/71/86/95/656718695.db2.gz AUIDHLVDVDTNLG-INIZCTEOSA-N 1 0 384.318 1.625 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000925787991 656719135 /nfs/dbraw/zinc/71/91/35/656719135.db2.gz FDWRLDDUSUQCGN-GXSJLCMTSA-N 1 0 379.345 1.864 20 0 GDADRO CCC[C@H]1CN(C[C@H](O)c2cc(Br)no2)CC[N@@H+]1CCOC ZINC000878332138 656719692 /nfs/dbraw/zinc/71/96/92/656719692.db2.gz KQHWOEVGYPFBES-STQMWFEESA-N 1 0 376.295 1.903 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000925789503 656719765 /nfs/dbraw/zinc/71/97/65/656719765.db2.gz VGYLCACZQDGMRR-ZIAGYGMSSA-N 1 0 387.343 1.673 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2cccc(I)c2)C1 ZINC000925901870 656725854 /nfs/dbraw/zinc/72/58/54/656725854.db2.gz NKSKIXJGIBERBN-ZDUSSCGKSA-N 1 0 375.210 1.609 20 0 GDADRO CS(=O)(=O)Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000925995175 656729206 /nfs/dbraw/zinc/72/92/06/656729206.db2.gz JIMGCMHPHPDXKT-CHWSQXEVSA-N 1 0 379.404 1.975 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)C1 ZINC000878524338 656730150 /nfs/dbraw/zinc/73/01/50/656730150.db2.gz NZNSMGSJUNOLHP-QWHCGFSZSA-N 1 0 384.571 1.888 20 0 GDADRO O=C(NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)Nc1ncc(C(F)(F)F)s1 ZINC000926101176 656735915 /nfs/dbraw/zinc/73/59/15/656735915.db2.gz LINAOCAVEJETRS-MRVPVSSYSA-N 1 0 378.376 1.969 20 0 GDADRO CC1(C)CN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C[C@@H]1[NH3+] ZINC000926112957 656736343 /nfs/dbraw/zinc/73/63/43/656736343.db2.gz KDPIDOJWRFYDIV-ZDUSSCGKSA-N 1 0 398.305 1.882 20 0 GDADRO COC(=O)c1c(Br)ccc(NC(=O)N2CCNCC[NH2+]CC2)c1C ZINC000926104688 656736459 /nfs/dbraw/zinc/73/64/59/656736459.db2.gz OALQSDVKBVDTSO-UHFFFAOYSA-N 1 0 399.289 1.571 20 0 GDADRO CS(=O)(=O)c1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1F ZINC000926131745 656737888 /nfs/dbraw/zinc/73/78/88/656737888.db2.gz CASUQEKRHUUBGE-GXSJLCMTSA-N 1 0 383.367 1.973 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3nn(C)cc3Br)C2)[C@H]1C(C)C ZINC000926242303 656741907 /nfs/dbraw/zinc/74/19/07/656741907.db2.gz PWWDRUZXOJWDHY-GKLJAUDBSA-N 1 0 399.333 1.782 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cs1)C(N)=O ZINC000878736484 656745015 /nfs/dbraw/zinc/74/50/15/656745015.db2.gz FGBFAQIINJEAEF-JSGCOSHPSA-N 1 0 382.555 1.738 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000878805685 656749463 /nfs/dbraw/zinc/74/94/63/656749463.db2.gz BMIFDLSQYSBVQZ-DZGCQCFKSA-N 1 0 385.555 1.578 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926354269 656749514 /nfs/dbraw/zinc/74/95/14/656749514.db2.gz RBADLZHKLRZKST-VHSXEESVSA-N 1 0 376.404 1.188 20 0 GDADRO C[C@@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)N(C)C(=O)OC(C)(C)C ZINC000926376798 656750853 /nfs/dbraw/zinc/75/08/53/656750853.db2.gz KPCIJNJZOQPWMK-KBPBESRZSA-N 1 0 377.551 1.892 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926404073 656752475 /nfs/dbraw/zinc/75/24/75/656752475.db2.gz GPNUUSGEDBSRKF-GXFFZTMASA-N 1 0 386.315 1.679 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cs1)C(N)=O ZINC000878859882 656753959 /nfs/dbraw/zinc/75/39/59/656753959.db2.gz UGPIRWKMVLWYMZ-TZMCWYRMSA-N 1 0 384.571 1.842 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000878865323 656754272 /nfs/dbraw/zinc/75/42/72/656754272.db2.gz WGZLSZBRYSNPRV-UONOGXRCSA-N 1 0 385.555 1.578 20 0 GDADRO OCC1([C@H]([NH2+]C[C@@H](O)c2cc(Br)no2)[C@@H]2CCCO2)CCC1 ZINC000878869085 656754528 /nfs/dbraw/zinc/75/45/28/656754528.db2.gz YPNJKLKUTLPOCQ-UHIISALHSA-N 1 0 375.263 1.770 20 0 GDADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H]2CCCc3ncc(Br)cc32)C1 ZINC000926507452 656759397 /nfs/dbraw/zinc/75/93/97/656759397.db2.gz BWOHGCLDRITEDS-KGLIPLIRSA-N 1 0 375.288 1.361 20 0 GDADRO C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926732072 656777116 /nfs/dbraw/zinc/77/71/16/656777116.db2.gz MRJWJPRVDNEVLJ-MEBBXXQBSA-N 1 0 380.432 1.787 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2csc(S[C@H](C)C(N)=O)n2)C1 ZINC000879139636 656777718 /nfs/dbraw/zinc/77/77/18/656777718.db2.gz DZPVVJBUZBIRNM-OLZOCXBDSA-N 1 0 384.571 1.746 20 0 GDADRO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000926764237 656779112 /nfs/dbraw/zinc/77/91/12/656779112.db2.gz GVBLJTWKEHNRDT-ZDUSSCGKSA-N 1 0 384.274 1.881 20 0 GDADRO C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1nc(Br)ccc1F ZINC000926872297 656781362 /nfs/dbraw/zinc/78/13/62/656781362.db2.gz SVDQOHDIHCMJQG-VIFPVBQESA-N 1 0 395.236 1.618 20 0 GDADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)(C)CO ZINC000926878522 656781484 /nfs/dbraw/zinc/78/14/84/656781484.db2.gz MGDFOISHNCNJAE-ZIAGYGMSSA-N 1 0 378.535 1.407 20 0 GDADRO O=C(CNC(=O)C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)NCc1ccccc1 ZINC000926964868 656782332 /nfs/dbraw/zinc/78/23/32/656782332.db2.gz ODXMSXKDWMAFGB-RKVPGOIHSA-N 1 0 379.551 1.388 20 0 GDADRO COc1cc([C@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)ccc1S(=O)(=O)C(F)F ZINC000926988970 656785932 /nfs/dbraw/zinc/78/59/32/656785932.db2.gz UOBJLNBZBUJOCQ-QWRGUYRKSA-N 1 0 376.425 1.868 20 0 GDADRO C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(I)cc1 ZINC000927035688 656788879 /nfs/dbraw/zinc/78/88/79/656788879.db2.gz WFTAQGLMPBOQAZ-BXKDBHETSA-N 1 0 383.251 1.347 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)NCC[N@@H+](C)CCOCCO ZINC000879349448 656789328 /nfs/dbraw/zinc/78/93/28/656789328.db2.gz WALANIJPOSUIMM-UHFFFAOYSA-N 1 0 392.269 1.959 20 0 GDADRO COC(=O)C1=NO[C@@]2(CC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)C1 ZINC000879481828 656797457 /nfs/dbraw/zinc/79/74/57/656797457.db2.gz HXHXJKQJDCNEPX-ZBFHGGJFSA-N 1 0 383.242 1.876 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533028 656801702 /nfs/dbraw/zinc/80/17/02/656801702.db2.gz IPYOHFMYILKEQU-TVYUQYBPSA-N 1 0 380.242 1.323 20 0 GDADRO CS(=O)(=O)C1CCC(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000927367484 656806711 /nfs/dbraw/zinc/80/67/11/656806711.db2.gz TVAGURQKTGWNTO-WIHSUSGWSA-N 1 0 388.599 1.924 20 0 GDADRO Cn1nc(Br)cc1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000879637426 656810313 /nfs/dbraw/zinc/81/03/13/656810313.db2.gz SCRLFWQEFKDHMS-LBPRGKRZSA-N 1 0 386.294 1.901 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cc(Br)nn1C ZINC000879640451 656812786 /nfs/dbraw/zinc/81/27/86/656812786.db2.gz JCHGYXOWPFMWDT-NSHDSACASA-N 1 0 386.294 1.900 20 0 GDADRO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000879665679 656818144 /nfs/dbraw/zinc/81/81/44/656818144.db2.gz BVORDWDLWPKTSE-ZDUSSCGKSA-N 1 0 385.555 1.530 20 0 GDADRO CCN(C(=O)[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000879667783 656818432 /nfs/dbraw/zinc/81/84/32/656818432.db2.gz SMNLVJJBAUIPCY-AAVRWANBSA-N 1 0 382.448 1.897 20 0 GDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1c(Br)cnn1C ZINC000879799644 656830773 /nfs/dbraw/zinc/83/07/73/656830773.db2.gz KWSGKVJKQOWBQN-GFCCVEGCSA-N 1 0 385.306 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389.315 1.707 20 0 GDADRO CN1CCN(C)CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000933993698 657331200 /nfs/dbraw/zinc/33/12/00/657331200.db2.gz FGHFZKLPHPJWMW-UHFFFAOYSA-N 1 0 383.334 1.957 20 0 GDADRO CN1CCN(Cc2nnnn2-c2ccccc2Br)CC[N@H+](C)CC1 ZINC000933996037 657331946 /nfs/dbraw/zinc/33/19/46/657331946.db2.gz JRBFLUZTPJOAFY-UHFFFAOYSA-N 1 0 394.321 1.104 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCN(C)CC[N@H+](C)CC1 ZINC000933998537 657332578 /nfs/dbraw/zinc/33/25/78/657332578.db2.gz JBUJGLLPYGENSJ-AWEZNQCLSA-N 1 0 383.334 1.955 20 0 GDADRO Cc1nsc(N2CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)CC2)n1 ZINC000884227780 657337281 /nfs/dbraw/zinc/33/72/81/657337281.db2.gz YDDGPYUXKDAXPS-CYBMUJFWSA-N 1 0 396.314 1.958 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CCC3(CC[NH2+]C3)CC2)cs1)C(N)=O ZINC000884294015 657343585 /nfs/dbraw/zinc/34/35/85/657343585.db2.gz QQOYMUBUJYWZRI-CYBMUJFWSA-N 1 0 382.555 1.644 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000884299680 657343898 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CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000884352034 657350032 /nfs/dbraw/zinc/35/00/32/657350032.db2.gz BHUWCPVPCJRCCX-CHWSQXEVSA-N 1 0 389.315 1.606 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cs1)C(N)=O ZINC000884371417 657350710 /nfs/dbraw/zinc/35/07/10/657350710.db2.gz NCCUYIFWHBKRDS-AAEUAGOBSA-N 1 0 382.555 1.833 20 0 GDADRO C[C@@H]1CCCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)[C@@H]1CC[NH3+] ZINC000884385077 657351730 /nfs/dbraw/zinc/35/17/30/657351730.db2.gz DGZQMQVOQKAJCS-UMVBOHGHSA-N 1 0 385.555 1.564 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1ccc2scnc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000934307675 657351994 /nfs/dbraw/zinc/35/19/94/657351994.db2.gz PPLQLGJEEQMUHY-AWEZNQCLSA-N 1 0 381.523 1.877 20 0 GDADRO CCO[C@@H]1CN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C[C@H]1C[NH3+] ZINC000884386397 657352418 /nfs/dbraw/zinc/35/24/18/657352418.db2.gz NLWWCRLYAGJYGK-BYCMXARLSA-N 1 0 397.269 1.353 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884453864 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CCN1CC[C@@H]1CNC(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000897692328 658880367 /nfs/dbraw/zinc/88/03/67/658880367.db2.gz XJFKMTLTJGTXJX-CYBMUJFWSA-N 1 0 386.265 1.457 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000897695924 658880507 /nfs/dbraw/zinc/88/05/07/658880507.db2.gz VSPHNOVFPLYJDC-MRXNPFEDSA-N 1 0 390.527 1.613 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897938483 658902075 /nfs/dbraw/zinc/90/20/75/658902075.db2.gz SAFMCDPPRBYLBL-XJKSGUPXSA-N 1 0 383.286 1.662 20 0 GDADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000897979260 658908417 /nfs/dbraw/zinc/90/84/17/658908417.db2.gz YWIJXXJLDSIZFY-RYUDHWBXSA-N 1 0 388.287 1.264 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(Br)c2nccnc2c1 ZINC000898068970 658913813 /nfs/dbraw/zinc/91/38/13/658913813.db2.gz TYDSYFNXHKDGHN-MRXNPFEDSA-N 1 0 381.274 1.825 20 0 GDADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)C1(C)C ZINC000898103295 658916042 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CC(=O)N[C@@H](C(=O)N1CC([NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000898596998 658941391 /nfs/dbraw/zinc/94/13/91/658941391.db2.gz BDLHNYGLPXTUKF-MRXNPFEDSA-N 1 0 380.286 1.933 20 0 GDADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCCS(=O)(=O)C(F)(F)F)cc1 ZINC000898679079 658945220 /nfs/dbraw/zinc/94/52/20/658945220.db2.gz LNFHLGLULCDWAS-CYBMUJFWSA-N 1 0 382.404 1.785 20 0 GDADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899153264 658988928 /nfs/dbraw/zinc/98/89/28/658988928.db2.gz GXYUSELDBXTDPC-WGHIXYSZSA-N 1 0 377.282 1.924 20 0 GDADRO C[N@H+](CCO)CCNC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000899737161 659056836 /nfs/dbraw/zinc/05/68/36/659056836.db2.gz AOSUTFOLEAWHFX-UHFFFAOYSA-N 1 0 386.221 1.897 20 0 GDADRO C[C@@](O)(C[NH2+]C[C@@]1(N2CCOCC2)CCSC1)C(F)(F)C(F)(F)F ZINC000899872819 659062912 /nfs/dbraw/zinc/06/29/12/659062912.db2.gz FSCOSUVIIAYRNU-NEPJUHHUSA-N 1 0 378.407 1.733 20 0 GDADRO O[C@@H](C[NH2+]C[C@H](O)C1(O)CCOCC1)COc1cccc(Cl)c1Cl ZINC000899875446 659063447 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1.538 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000900485085 659113524 /nfs/dbraw/zinc/11/35/24/659113524.db2.gz TWWHUIPMKZIQBY-SRCQZFHVSA-N 1 0 383.286 1.804 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000900664862 659132182 /nfs/dbraw/zinc/13/21/82/659132182.db2.gz MNQRLYKGCBXUQO-KBXCAEBGSA-N 1 0 396.329 1.991 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900682019 659136142 /nfs/dbraw/zinc/13/61/42/659136142.db2.gz OEAQOQRMGPMVEX-UHFFFAOYSA-N 1 0 396.289 1.675 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000900695672 659138024 /nfs/dbraw/zinc/13/80/24/659138024.db2.gz USLKHVLFYKVJOK-QGZVFWFLSA-N 1 0 398.345 1.872 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCC(CC[NH+](C)C)CC2)cs1)C(N)=O ZINC000900695230 659138372 /nfs/dbraw/zinc/13/83/72/659138372.db2.gz NZSOGRTWOWOMTM-LBPRGKRZSA-N 1 0 384.571 1.842 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000900726479 659141224 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CC(C)C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)C1CCOCC1 ZINC000902861715 659282412 /nfs/dbraw/zinc/28/24/12/659282412.db2.gz AWPLEVOOYGWECF-ZWKOTPCHSA-N 1 0 376.563 1.906 20 0 GDADRO COCCC[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(F)cc1 ZINC000903227540 659306484 /nfs/dbraw/zinc/30/64/84/659306484.db2.gz TWXVPUFQIUHRJD-OAHLLOKOSA-N 1 0 380.507 1.940 20 0 GDADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000903229176 659306997 /nfs/dbraw/zinc/30/69/97/659306997.db2.gz FFCZIWMSSJOPBQ-CYBMUJFWSA-N 1 0 384.527 1.889 20 0 GDADRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903329293 659313718 /nfs/dbraw/zinc/31/37/18/659313718.db2.gz BIXZBTTWJZKGQU-CHWSQXEVSA-N 1 0 392.543 1.876 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000903431641 659315448 /nfs/dbraw/zinc/31/54/48/659315448.db2.gz TYEYRWZWCFMBML-NEPJUHHUSA-N 1 0 377.432 1.266 20 0 GDADRO CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000903452775 659316192 /nfs/dbraw/zinc/31/61/92/659316192.db2.gz QMDMUCMXBGAWBT-XBOKXRDBSA-N 1 0 375.531 1.805 20 0 GDADRO CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000903491678 659317977 /nfs/dbraw/zinc/31/79/77/659317977.db2.gz WCCZJSVYWMYEOT-CQSZACIVSA-N 1 0 393.303 1.872 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(I)s1 ZINC000903497627 659318894 /nfs/dbraw/zinc/31/88/94/659318894.db2.gz LGLINSQYLXQSRH-SFYZADRCSA-N 1 0 386.280 1.629 20 0 GDADRO [NH3+]C[C@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)C1CC1 ZINC000903513613 659322806 /nfs/dbraw/zinc/32/28/06/659322806.db2.gz PNUWZLSLNHGOHK-NSHDSACASA-N 1 0 377.260 1.335 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1F ZINC000903513475 659322975 /nfs/dbraw/zinc/32/29/75/659322975.db2.gz AMOQLAYHBLAFTA-AWEZNQCLSA-N 1 0 393.278 1.971 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903514927 659323737 /nfs/dbraw/zinc/32/37/37/659323737.db2.gz IOOQISPGAUCDRI-IUCAKERBSA-N 1 0 398.291 1.868 20 0 GDADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903517448 659324916 /nfs/dbraw/zinc/32/49/16/659324916.db2.gz BVAQDVNWCFPENE-GFCCVEGCSA-N 1 0 391.287 1.677 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1F ZINC000903525198 659329513 /nfs/dbraw/zinc/32/95/13/659329513.db2.gz CWBVIZVJLYHWAH-LKFCYVNXSA-N 1 0 393.278 1.827 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC3CC2(C[NH3+])C3)c1F ZINC000903525576 659329525 /nfs/dbraw/zinc/32/95/25/659329525.db2.gz WFBRLTAXJJXNFW-UHFFFAOYSA-N 1 0 379.251 1.709 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000903535515 659332511 /nfs/dbraw/zinc/33/25/11/659332511.db2.gz OQZOUCMXONQUNW-KOLCDFICSA-N 1 0 390.303 1.541 20 0 GDADRO COc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)cc1Br ZINC000903543533 659335180 /nfs/dbraw/zinc/33/51/80/659335180.db2.gz FTKKFXVRNUFLGE-UHFFFAOYSA-N 1 0 393.303 1.586 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1sccc1Br ZINC000903545429 659336188 /nfs/dbraw/zinc/33/61/88/659336188.db2.gz RFYRICHIPOTUOY-JTQLQIEISA-N 1 0 395.344 1.948 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000903554502 659339911 /nfs/dbraw/zinc/33/99/11/659339911.db2.gz SJRTUMOQZMVACB-ZDUSSCGKSA-N 1 0 380.919 1.161 20 0 GDADRO O=S(=O)(NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(Cl)nc1 ZINC000903562083 659341563 /nfs/dbraw/zinc/34/15/63/659341563.db2.gz XCWSUKZCEYJOHN-UHFFFAOYSA-N 1 0 380.901 1.619 20 0 GDADRO COc1cc(C)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1OC ZINC000903578205 659349096 /nfs/dbraw/zinc/34/90/96/659349096.db2.gz CXGPFNJPFXYZTM-WDEREUQCSA-N 1 0 382.404 1.912 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903578225 659349265 /nfs/dbraw/zinc/34/92/65/659349265.db2.gz DEDHZSHTOFOEIS-VXGBXAGGSA-N 1 0 399.460 1.327 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@H]([NH3+])C3)cnc2c1Cl ZINC000903580186 659351143 /nfs/dbraw/zinc/35/11/43/659351143.db2.gz SPTUZWRQMMIDFP-VHSXEESVSA-N 1 0 397.810 1.591 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cc1Cl ZINC000903587747 659355110 /nfs/dbraw/zinc/35/51/10/659355110.db2.gz AVYANDXYIJCHNP-MEBBXXQBSA-N 1 0 375.853 1.939 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@]34CC[NH2+]C4)c(Cl)cc21 ZINC000903591533 659356710 /nfs/dbraw/zinc/35/67/10/659356710.db2.gz FRHIKQJXHDJWFF-QGZVFWFLSA-N 1 0 383.901 1.766 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C[C@H]1CC[NH3+] ZINC000903726848 659378167 /nfs/dbraw/zinc/37/81/67/659378167.db2.gz QYKHCEUXILWNGY-GHMZBOCLSA-N 1 0 388.331 1.912 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903791666 659380833 /nfs/dbraw/zinc/38/08/33/659380833.db2.gz JDJGIOYIDNQSPH-CMPLNLGQSA-N 1 0 398.276 1.669 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000903880110 659387622 /nfs/dbraw/zinc/38/76/22/659387622.db2.gz CQPJGGFFFMHMSB-HNNXBMFYSA-N 1 0 381.523 1.634 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903909645 659389173 /nfs/dbraw/zinc/38/91/73/659389173.db2.gz GYDHTXJRKNUUNE-LBPRGKRZSA-N 1 0 397.875 1.637 20 0 GDADRO COc1sc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1Br ZINC000903967643 659390167 /nfs/dbraw/zinc/39/01/67/659390167.db2.gz FBNJWZKGTSHFHP-SNVBAGLBSA-N 1 0 383.333 1.386 20 0 GDADRO COc1ccc(Br)c(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)c1 ZINC000903968475 659390430 /nfs/dbraw/zinc/39/04/30/659390430.db2.gz LPLGAKXKBUARFO-CYBMUJFWSA-N 1 0 377.304 1.324 20 0 GDADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903969465 659391278 /nfs/dbraw/zinc/39/12/78/659391278.db2.gz GEZBCUWKPKSFIM-DGCLKSJQSA-N 1 0 393.322 1.886 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3cncc(Br)c3)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904085399 659394578 /nfs/dbraw/zinc/39/45/78/659394578.db2.gz DVBJVSLVPQXOKP-MVWJERBFSA-N 1 0 399.270 1.069 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(CSc3ccc(F)cc3)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904081490 659394699 /nfs/dbraw/zinc/39/46/99/659394699.db2.gz ZYGCLWBUUWSSEA-LEWSCRJBSA-N 1 0 383.470 1.676 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3ccccc3Br)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904106533 659395528 /nfs/dbraw/zinc/39/55/28/659395528.db2.gz WATQMAVKKGQQGT-XHVZSJERSA-N 1 0 398.282 1.674 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccccc1I ZINC000904274826 659398354 /nfs/dbraw/zinc/39/83/54/659398354.db2.gz SFDPIEYBPBLJPN-SNVBAGLBSA-N 1 0 375.210 1.743 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCC1(OCCO)CCC(C(F)F)CC1)C(F)(F)F ZINC000904518750 659402948 /nfs/dbraw/zinc/40/29/48/659402948.db2.gz PFLVOXGTDYGFQZ-QUNCOHTASA-N 1 0 377.354 1.378 20 0 GDADRO C[C@@H]1COCC[C@@H]1c1noc(-c2cc(Br)cn(CC[NH3+])c2=O)n1 ZINC000904713707 659406830 /nfs/dbraw/zinc/40/68/30/659406830.db2.gz WCGXXGZIQSOCCH-KOLCDFICSA-N 1 0 383.246 1.760 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)s1 ZINC000905024313 659417693 /nfs/dbraw/zinc/41/76/93/659417693.db2.gz KLWIHASUUILMSL-ZBFHGGJFSA-N 1 0 384.523 1.621 20 0 GDADRO C[C@H](CN1CCCCC1)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905037589 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1.520 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905112050 659424854 /nfs/dbraw/zinc/42/48/54/659424854.db2.gz WOMXAAOFBSKFAQ-AWEZNQCLSA-N 1 0 384.489 1.144 20 0 GDADRO CC[C@](O)(C[NH2+]Cc1cccc(S(=O)(=O)NCCOC)c1)C(F)(F)F ZINC000905125725 659425764 /nfs/dbraw/zinc/42/57/64/659425764.db2.gz BYXHYYUPTSGAMY-AWEZNQCLSA-N 1 0 384.420 1.404 20 0 GDADRO COC1CCC(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905157278 659427588 /nfs/dbraw/zinc/42/75/88/659427588.db2.gz ZMMYQTSTIFIDQH-UYSNPLJNSA-N 1 0 376.563 1.783 20 0 GDADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)nc12 ZINC000905212116 659433634 /nfs/dbraw/zinc/43/36/34/659433634.db2.gz IXAOMMIMEZOKNU-ZBFHGGJFSA-N 1 0 384.274 1.397 20 0 GDADRO O[C@@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1(O)CCOCC1 ZINC000905236731 659435302 /nfs/dbraw/zinc/43/53/02/659435302.db2.gz FPKDRKYXFDDEKH-INIZCTEOSA-N 1 0 396.285 1.627 20 0 GDADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905233639 659435383 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CC1(C)CCC[N@H+](CCNC(=O)CSc2ccc(S(N)(=O)=O)cc2)C1 ZINC000907778008 659828682 /nfs/dbraw/zinc/82/86/82/659828682.db2.gz JFTRDCQLUYOAFQ-UHFFFAOYSA-N 1 0 385.555 1.664 20 0 GDADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000907805165 659833241 /nfs/dbraw/zinc/83/32/41/659833241.db2.gz GYKQSECYMDSWBJ-YJBOKZPZSA-N 1 0 396.329 1.991 20 0 GDADRO CC[C@@H](C(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1)[NH+](C)C ZINC000907827462 659835833 /nfs/dbraw/zinc/83/58/33/659835833.db2.gz HHIVUKKCBSGFAD-ZDUSSCGKSA-N 1 0 393.289 1.785 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000908146866 659875903 /nfs/dbraw/zinc/87/59/03/659875903.db2.gz OKDQUGKKZMRYPV-KBPBESRZSA-N 1 0 383.539 1.511 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2nc3cc(Br)cnc3[nH]2)CC1=O ZINC000908464440 659920203 /nfs/dbraw/zinc/92/02/03/659920203.db2.gz CHFWPQNUMMBUBA-SECBINFHSA-N 1 0 395.261 1.069 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCS[C@H](C(F)(F)F)C3)CC[C@H]21 ZINC000910709879 659980783 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ZINC001164971471 722111095 /nfs/dbraw/zinc/11/10/95/722111095.db2.gz CPEKKYYXWHLGEN-WOJBJXKFSA-N 1 0 395.507 1.906 20 0 GDADRO Cn1cnc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164981500 722113064 /nfs/dbraw/zinc/11/30/64/722113064.db2.gz UGWBNEMBEUQUKK-WMZOPIPTSA-N 1 0 379.468 1.486 20 0 GDADRO CCOC(=O)c1nccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004274 722257236 /nfs/dbraw/zinc/25/72/36/722257236.db2.gz PGXOJKRWMXGTEF-UHFFFAOYSA-N 1 0 388.472 1.338 20 0 GDADRO O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737876724 945142702 /nfs/dbraw/zinc/14/27/02/945142702.db2.gz GWKPXOLBSGEKFC-CYBMUJFWSA-N 1 0 389.891 1.876 20 0 GDADRO COC1CC[NH+](C(C)(C)CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736961053 944919657 /nfs/dbraw/zinc/91/96/57/944919657.db2.gz KAWCHGWDZUXJPG-UHFFFAOYSA-N 1 0 387.488 1.555 20 0 GDADRO CO[C@H]1CCC[C@H](CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571263953 945470950 /nfs/dbraw/zinc/47/09/50/945470950.db2.gz COJSBGAOASHJAU-XQLPTFJDSA-N 1 0 385.472 1.338 20 0 GDADRO CCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001571264775 945491549 /nfs/dbraw/zinc/49/15/49/945491549.db2.gz WJKCEFBZFNPTGY-CQSZACIVSA-N 1 0 385.472 1.212 20 0 GDADRO Cc1cc(N(C)C[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264810 945493111 /nfs/dbraw/zinc/49/31/11/945493111.db2.gz XUWGHJQVJGKRKF-LSDHHAIUSA-N 1 0 385.472 1.281 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)Cc2ccc[nH]2)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571265151 945501060 /nfs/dbraw/zinc/50/10/60/945501060.db2.gz DZDWGPVZVYRTFW-GXTWGEPZSA-N 1 0 385.497 1.968 20 0 GDADRO Cc1cc(NC[C@H]2CN(C(=O)C(C)(C)C3CC3)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266366 945539800 /nfs/dbraw/zinc/53/98/00/945539800.db2.gz PHLGBZMOQVSKQH-AWEZNQCLSA-N 1 0 385.472 1.068 20 0 GDADRO O=C(C1=CCOCC1)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571268335 945594439 /nfs/dbraw/zinc/59/44/39/945594439.db2.gz DFZARMAKJHAOIC-UHFFFAOYSA-N 1 0 386.431 1.433 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cnon1 ZINC001571268657 945602041 /nfs/dbraw/zinc/60/20/41/945602041.db2.gz WCKGAMBVCQKIKE-ZIAGYGMSSA-N 1 0 386.391 1.220 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[N@@H+]1CCc1ccns1 ZINC001571271397 945641994 /nfs/dbraw/zinc/64/19/94/945641994.db2.gz BKPCATIIRLELMW-AAEUAGOBSA-N 1 0 386.485 1.477 20 0 GDADRO O=C(CCc1c[nH]cn1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271776 945649771 /nfs/dbraw/zinc/64/97/71/945649771.db2.gz JGCYHUKNYSKBPG-LBPRGKRZSA-N 1 0 386.485 1.222 20 0 GDADRO CS[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC[C@@H]2C1 ZINC001571271808 945650001 /nfs/dbraw/zinc/65/00/01/945650001.db2.gz KBSFCXUXIXNIAM-FMKPAKJESA-N 1 0 386.525 1.899 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCC[C@H](N(C)c2ccncc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571272478 945663504 /nfs/dbraw/zinc/66/35/04/945663504.db2.gz UEMDMWUNDKFNGM-YOEHRIQHSA-N 1 0 386.504 1.275 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccncc2Cl)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571275291 945705436 /nfs/dbraw/zinc/70/54/36/945705436.db2.gz RVODSUHLTFEQSZ-MFKMUULPSA-N 1 0 386.847 1.636 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCSC1 ZINC000821586272 945724579 /nfs/dbraw/zinc/72/45/79/945724579.db2.gz QQGAICFUTLBFEN-OAHLLOKOSA-N 1 0 375.502 1.445 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@]2(C1)CN(C(C)=O)C[C@@H](C)O2 ZINC001571278363 945750946 /nfs/dbraw/zinc/75/09/46/945750946.db2.gz MZKBRUXEQUDFGX-BFUOFWGJSA-N 1 0 386.456 1.087 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1cncs1 ZINC001571279010 945766393 /nfs/dbraw/zinc/76/63/93/945766393.db2.gz FXKVSGLTBDHANS-ZWNOBZJWSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001571281727 945813547 /nfs/dbraw/zinc/81/35/47/945813547.db2.gz MREWCXKIXYVGLX-SNVBAGLBSA-N 1 0 387.473 1.077 20 0 GDADRO Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)s1 ZINC001571281990 945823173 /nfs/dbraw/zinc/82/31/73/945823173.db2.gz QSGYNNQSSJMITE-WDEREUQCSA-N 1 0 387.473 1.043 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282515 945846861 /nfs/dbraw/zinc/84/68/61/945846861.db2.gz JHXSOXFQWCGVCI-RDJZCZTQSA-N 1 0 387.463 1.181 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC(Nc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571282614 945853653 /nfs/dbraw/zinc/85/36/53/945853653.db2.gz LXNHQVKQLFXRTH-IBGZPJMESA-N 1 0 387.463 1.702 20 0 GDADRO CC[C@@H](C(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nn[nH]n2)cn1)[NH+](C)C ZINC001571283222 945880334 /nfs/dbraw/zinc/88/03/34/945880334.db2.gz CCTIYDKQRFXTKQ-HIFRSBDPSA-N 1 0 387.492 1.180 20 0 GDADRO CS(=O)(=O)N1CCC[C@H](C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000821932348 945906399 /nfs/dbraw/zinc/90/63/99/945906399.db2.gz KTVWMZWTHRUKJJ-OAHLLOKOSA-N 1 0 390.513 1.503 20 0 GDADRO C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001571285622 945923210 /nfs/dbraw/zinc/92/32/10/945923210.db2.gz KBJCZKLRCRSBRS-LLVKDONJSA-N 1 0 388.382 1.215 20 0 GDADRO CCO[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287181 945967531 /nfs/dbraw/zinc/96/75/31/945967531.db2.gz AAJJSBDRUDNUOQ-BNGXUDDSSA-N 1 0 388.447 1.415 20 0 GDADRO O=C(CC[C@H]1CCOC1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571287241 945969915 /nfs/dbraw/zinc/96/99/15/945969915.db2.gz BMBZEDRFZIZNIW-ZFWWWQNUSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(C[C@@H]1CCCO1)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287639 945975737 /nfs/dbraw/zinc/97/57/37/945975737.db2.gz GRFWGUYZEUIIOX-GJZGRUSLSA-N 1 0 388.447 1.513 20 0 GDADRO CO[C@H](C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571288282 945984811 /nfs/dbraw/zinc/98/48/11/945984811.db2.gz NHGZLSUWRUNMTF-BFUOFWGJSA-N 1 0 388.447 1.465 20 0 GDADRO CO[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC[C@@H]2C1 ZINC001571288250 945985388 /nfs/dbraw/zinc/98/53/88/945985388.db2.gz MZCJLRITQYTRFK-CFVMTHIKSA-N 1 0 388.447 1.321 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1cnsn1 ZINC001571288578 945990409 /nfs/dbraw/zinc/99/04/09/945990409.db2.gz QUJMNRAWGJFSJX-NSHDSACASA-N 1 0 388.432 1.109 20 0 GDADRO CO[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571288724 945991301 /nfs/dbraw/zinc/99/13/01/945991301.db2.gz RXVBMJPJIIGXTI-PBHICJAKSA-N 1 0 388.447 1.464 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)N(CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573468389 945994688 /nfs/dbraw/zinc/99/46/88/945994688.db2.gz NOTKHHPMPLJYLU-AWEZNQCLSA-N 1 0 387.488 1.060 20 0 GDADRO O=C([C@H]1CCCOC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571289213 945998874 /nfs/dbraw/zinc/99/88/74/945998874.db2.gz XIVZHZXVRGFADY-LSDHHAIUSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)C1CCOCC1 ZINC001571289302 946000417 /nfs/dbraw/zinc/00/04/17/946000417.db2.gz ZILHPDJLICGDOQ-SJCJKPOMSA-N 1 0 388.447 1.511 20 0 GDADRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H](C)OC)C2)cc1-c1nn[nH]n1 ZINC001571289429 946007507 /nfs/dbraw/zinc/00/75/07/946007507.db2.gz CVTTXTZVQMYEDL-HIFRSBDPSA-N 1 0 388.472 1.238 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC001571289662 946014553 /nfs/dbraw/zinc/01/45/53/946014553.db2.gz JOQZAMWXDHKXQO-JKSUJKDBSA-N 1 0 388.472 1.381 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001571289758 946018161 /nfs/dbraw/zinc/01/81/61/946018161.db2.gz LXSWUFZAXBIJNB-HZPDHXFCSA-N 1 0 388.472 1.381 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(C)C ZINC001573476889 946126110 /nfs/dbraw/zinc/12/61/10/946126110.db2.gz KTEDUDCNFKXBMM-BLLLJJGKSA-N 1 0 387.488 1.012 20 0 GDADRO O=C(Cc1cncs1)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571294343 946131422 /nfs/dbraw/zinc/13/14/22/946131422.db2.gz GKOKGENCWKPPRE-UHFFFAOYSA-N 1 0 389.510 1.708 20 0 GDADRO CC(=O)N[C@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC001573477616 946140901 /nfs/dbraw/zinc/14/09/01/946140901.db2.gz STEGZWBAPVFPCH-DYVFJYSZSA-N 1 0 387.488 1.012 20 0 GDADRO Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)nn1 ZINC001571298539 946218643 /nfs/dbraw/zinc/21/86/43/946218643.db2.gz GQPSAIBPGXQAKY-OSYLJGHBSA-N 1 0 390.451 1.073 20 0 GDADRO Cc1nsc(NC[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)c1-c1nn[nH]n1 ZINC001571298678 946224984 /nfs/dbraw/zinc/22/49/84/946224984.db2.gz CFBSRULXPQSNIU-DRZSPHRISA-N 1 0 390.517 1.280 20 0 GDADRO Cc1nsc(NC[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571299273 946245401 /nfs/dbraw/zinc/24/54/01/946245401.db2.gz KDXQVCSMTIROHM-OLZOCXBDSA-N 1 0 390.517 1.376 20 0 GDADRO CC[C@H](OC)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571299739 946258341 /nfs/dbraw/zinc/25/83/41/946258341.db2.gz OZWFNEJKENJFAC-KSSFIOAISA-N 1 0 390.513 1.778 20 0 GDADRO O=C(C[C@@H]1CCOC1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571300178 946276458 /nfs/dbraw/zinc/27/64/58/946276458.db2.gz WIXLLGCVMISWTA-KBPBESRZSA-N 1 0 390.513 1.683 20 0 GDADRO O=C(Cc1ccc[nH]1)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571305510 946363428 /nfs/dbraw/zinc/36/34/28/946363428.db2.gz CRUKQNNRFOPPAR-OAQYLSRUSA-N 1 0 391.479 1.862 20 0 GDADRO CN(C)c1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571305972 946381689 /nfs/dbraw/zinc/38/16/89/946381689.db2.gz FSYWGULIHFMSOA-QGZVFWFLSA-N 1 0 391.479 1.937 20 0 GDADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CC[C@@H]([NH+]4CCCCC4)C3)o2)c1 ZINC000823737678 946474388 /nfs/dbraw/zinc/47/43/88/946474388.db2.gz IFBNWRDMQJUBSB-MRXNPFEDSA-N 1 0 380.456 1.977 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC001571310618 946476951 /nfs/dbraw/zinc/47/69/51/946476951.db2.gz KWDWNKSRJYCKHE-GOEBONIOSA-N 1 0 392.467 1.360 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C1(c3ccccc3)CCOCC1)C2 ZINC000823773158 946478639 /nfs/dbraw/zinc/47/86/39/946478639.db2.gz QOGIDBNGKNBTEA-AWEZNQCLSA-N 1 0 380.456 1.400 20 0 GDADRO C[C@@H](C(=O)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1)n1cccc1 ZINC001571310812 946479992 /nfs/dbraw/zinc/47/99/92/946479992.db2.gz NQESFYFDKRNBBM-YWZLYKJASA-N 1 0 392.467 1.753 20 0 GDADRO C[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571311444 946487707 /nfs/dbraw/zinc/48/77/07/946487707.db2.gz XPSBQPBDIJKNPQ-DNVCBOLYSA-N 1 0 392.463 1.882 20 0 GDADRO C[C@H]1CN(C(=O)CCc2cnccn2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571312738 946500841 /nfs/dbraw/zinc/50/08/41/946500841.db2.gz CEFCPPJEMDKFBI-KBXCAEBGSA-N 1 0 392.467 1.226 20 0 GDADRO CCc1cccc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H](C)C2)n1 ZINC001571312858 946502798 /nfs/dbraw/zinc/50/27/98/946502798.db2.gz DTSJEXXGMJWJFB-XJKSGUPXSA-N 1 0 392.467 1.604 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccncn2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571312963 946507421 /nfs/dbraw/zinc/50/74/21/946507421.db2.gz GGHQOZLFXHYCNI-KDOFPFPSSA-N 1 0 392.467 1.687 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CC1CCN(C(=O)c2cncnc2)CC1 ZINC001571313169 946512560 /nfs/dbraw/zinc/51/25/60/946512560.db2.gz JBMZXTXSHGQLMC-UHFFFAOYSA-N 1 0 392.467 1.641 20 0 GDADRO CCCc1[nH]ccc1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571313711 946530877 /nfs/dbraw/zinc/53/08/77/946530877.db2.gz URWIWABXEKBSAZ-OKILXGFUSA-N 1 0 392.467 1.751 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)C[C@H](C)c3ccncc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314889 946544973 /nfs/dbraw/zinc/54/49/73/946544973.db2.gz CTXPCOVATVQYRP-XJKSGUPXSA-N 1 0 392.467 1.594 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C12CCC2 ZINC001571315271 946550329 /nfs/dbraw/zinc/55/03/29/946550329.db2.gz IKWKWMRSCGQSLN-JKSUJKDBSA-N 1 0 392.467 1.729 20 0 GDADRO Cc1cc(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2ccc(-c4nn[nH]n4)cc2)CC3)[nH]n1 ZINC001571316138 946565585 /nfs/dbraw/zinc/56/55/85/946565585.db2.gz UVIDEIQKYHRFGP-XLIONFOSSA-N 1 0 392.467 1.825 20 0 GDADRO O=C(Cc1ncc[nH]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571317074 946599739 /nfs/dbraw/zinc/59/97/39/946599739.db2.gz UWCWQJQVQJESII-IAGOWNOFSA-N 1 0 392.467 1.398 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnc2n1CCC2 ZINC001571317102 946599992 /nfs/dbraw/zinc/59/99/92/946599992.db2.gz VGKRFNBVENVQSU-MRXNPFEDSA-N 1 0 392.467 1.404 20 0 GDADRO O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571317489 946610768 /nfs/dbraw/zinc/61/07/68/946610768.db2.gz JTCHINGBOZLTTD-MRXNPFEDSA-N 1 0 392.467 1.862 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573523799 946639131 /nfs/dbraw/zinc/63/91/31/946639131.db2.gz WXGRQGPBXKSFIP-OLZOCXBDSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000824413062 946695018 /nfs/dbraw/zinc/69/50/18/946695018.db2.gz IZYWONJAWJKJSO-HNNXBMFYSA-N 1 0 379.468 1.915 20 0 GDADRO CC(=O)NCc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)cc1 ZINC001573532962 946705786 /nfs/dbraw/zinc/70/57/86/946705786.db2.gz BLTYUAJAJZKACU-UHFFFAOYSA-N 1 0 392.467 1.220 20 0 GDADRO C[C@H](CO[C@@H]1CCOC1)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824440723 946708617 /nfs/dbraw/zinc/70/86/17/946708617.db2.gz JIHDFGZJCFMMCP-DNVCBOLYSA-N 1 0 386.500 1.615 20 0 GDADRO C[C@H](CO[C@H]1CCOC1)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824440722 946708846 /nfs/dbraw/zinc/70/88/46/946708846.db2.gz JIHDFGZJCFMMCP-BEFAXECRSA-N 1 0 386.500 1.615 20 0 GDADRO C[C@@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824488696 946734941 /nfs/dbraw/zinc/73/49/41/946734941.db2.gz HGPOJEHQAOTCOH-OAHLLOKOSA-N 1 0 386.504 1.207 20 0 GDADRO CC(=O)N[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573536585 946737227 /nfs/dbraw/zinc/73/72/27/946737227.db2.gz YCGCGFLIFVDFQN-SUMWQHHRSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553948 946797500 /nfs/dbraw/zinc/79/75/00/946797500.db2.gz KWSFHWUAFXZGFX-GFCCVEGCSA-N 1 0 376.486 1.474 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000824563846 946801043 /nfs/dbraw/zinc/80/10/43/946801043.db2.gz QRAZZEKNXILKIV-DBDZUICISA-N 1 0 398.492 1.571 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc([S@](C)=O)cc1 ZINC000824564161 946804261 /nfs/dbraw/zinc/80/42/61/946804261.db2.gz SRPTWGMVEHQDGB-OIJAAMDRSA-N 1 0 398.492 1.571 20 0 GDADRO C[C@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824859278 946950857 /nfs/dbraw/zinc/95/08/57/946950857.db2.gz PJMBWYXMKJUZCB-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CCOCC1 ZINC000825140807 947096272 /nfs/dbraw/zinc/09/62/72/947096272.db2.gz LOFTWKIDQNDQGK-MRXNPFEDSA-N 1 0 379.486 1.435 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825451152 947191944 /nfs/dbraw/zinc/19/19/44/947191944.db2.gz GNIFLFRWEDQZIG-MSOLQXFVSA-N 1 0 383.500 1.778 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573586611 947291440 /nfs/dbraw/zinc/29/14/40/947291440.db2.gz RRZPJRDRCZKIKW-KGLIPLIRSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573591870 947323819 /nfs/dbraw/zinc/32/38/19/947323819.db2.gz GYUBGYMCIJSSMQ-GDBMZVCRSA-N 1 0 380.456 1.357 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573592206 947330909 /nfs/dbraw/zinc/33/09/09/947330909.db2.gz BBAQPACHNAUONQ-CHWSQXEVSA-N 1 0 386.485 1.419 20 0 GDADRO C[C@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573592571 947341246 /nfs/dbraw/zinc/34/12/46/947341246.db2.gz KNOCAZZXSBBZEQ-CQSZACIVSA-N 1 0 380.456 1.752 20 0 GDADRO C[N@H+](C[C@H]1CC=CCC1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000825909153 947368086 /nfs/dbraw/zinc/36/80/86/947368086.db2.gz SGGCBFLDRYGFEO-VBKZILBWSA-N 1 0 395.467 1.879 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(F)F ZINC001573597942 947440466 /nfs/dbraw/zinc/44/04/66/947440466.db2.gz PNAAPXMDNXEPSE-VHSXEESVSA-N 1 0 388.444 1.128 20 0 GDADRO C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCO1 ZINC001573599063 947449607 /nfs/dbraw/zinc/44/96/07/947449607.db2.gz VFSDTIBMIVAWKW-MAUKXSAKSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC001573599459 947457148 /nfs/dbraw/zinc/45/71/48/947457148.db2.gz YGDMJFDASVKICI-TZMCWYRMSA-N 1 0 392.529 1.663 20 0 GDADRO C[C@@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC001573605683 947531832 /nfs/dbraw/zinc/53/18/32/947531832.db2.gz YHYFCVYCUNGCQQ-CQSZACIVSA-N 1 0 384.440 1.174 20 0 GDADRO C[C@H](C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)c1cccnc1 ZINC001573613794 947570972 /nfs/dbraw/zinc/57/09/72/947570972.db2.gz IZNYJFXGOHPIJH-GUYCJALGSA-N 1 0 392.467 1.531 20 0 GDADRO C[C@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573616484 947622906 /nfs/dbraw/zinc/62/29/06/947622906.db2.gz IVSQVLQWEHBMOA-GUYCJALGSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccc(F)c1 ZINC001573624838 947696229 /nfs/dbraw/zinc/69/62/29/947696229.db2.gz MSKPAGZLJQAAMI-IUODEOHRSA-N 1 0 381.415 1.639 20 0 GDADRO C[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573625638 947703950 /nfs/dbraw/zinc/70/39/50/947703950.db2.gz PUKLOZXAHUPFFH-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@@H]1CCCO1 ZINC001573627122 947717668 /nfs/dbraw/zinc/71/76/68/947717668.db2.gz ZCAPIWRFSDAVFK-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259170 947747740 /nfs/dbraw/zinc/74/77/40/947747740.db2.gz JYIOMWAQWFHJQO-CQSZACIVSA-N 1 0 378.440 1.327 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573372963 947786947 /nfs/dbraw/zinc/78/69/47/947786947.db2.gz GOKIJRPYUVQFQP-OAHLLOKOSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC001573373772 947799614 /nfs/dbraw/zinc/79/96/14/947799614.db2.gz LJOOZSKGJKTQIR-RDTXWAMCSA-N 1 0 384.484 1.953 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573631806 947803970 /nfs/dbraw/zinc/80/39/70/947803970.db2.gz WZFXMAKHGDETCN-GJZGRUSLSA-N 1 0 380.456 1.397 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001573374620 947811358 /nfs/dbraw/zinc/81/13/58/947811358.db2.gz OOBNSWMFJLQYEP-UKRRQHHQSA-N 1 0 385.472 1.543 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573638142 947833463 /nfs/dbraw/zinc/83/34/63/947833463.db2.gz GGGFEPDMMMVNAJ-STQMWFEESA-N 1 0 386.485 1.467 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001573378289 947854339 /nfs/dbraw/zinc/85/43/39/947854339.db2.gz YALOUQUNZLNSDV-ZWKOTPCHSA-N 1 0 382.468 1.659 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)C1CCC1 ZINC001573652000 947927900 /nfs/dbraw/zinc/92/79/00/947927900.db2.gz UEZVQVBJPODGRP-BMFZPTHFSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@H](C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)C(F)(F)F ZINC001573663103 948031993 /nfs/dbraw/zinc/03/19/93/948031993.db2.gz IXKGLSRLHRIBBS-SNVBAGLBSA-N 1 0 383.378 1.723 20 0 GDADRO C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573664291 948050185 /nfs/dbraw/zinc/05/01/85/948050185.db2.gz SWXVMUHEMPMNKT-KTAKPFMOSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573665269 948068867 /nfs/dbraw/zinc/06/88/67/948068867.db2.gz JZRYKPBKXIRMOH-YOEHRIQHSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573673914 948115740 /nfs/dbraw/zinc/11/57/40/948115740.db2.gz MDMMMIXYOVXVEY-CABCVRRESA-N 1 0 384.488 1.221 20 0 GDADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCOc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826359713 948117998 /nfs/dbraw/zinc/11/79/98/948117998.db2.gz OQVBEJWGBNXGJX-SJLPKXTDSA-N 1 0 383.456 1.567 20 0 GDADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCOc2ccccc2-c2nn[nH]n2)cn1 ZINC000826359745 948118731 /nfs/dbraw/zinc/11/87/31/948118731.db2.gz PGSHNRQHDAVKNX-RDJZCZTQSA-N 1 0 383.456 1.567 20 0 GDADRO Cn1cc(CCC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826360410 948119724 /nfs/dbraw/zinc/11/97/24/948119724.db2.gz JFVBZAUJPCPOSH-UHFFFAOYSA-N 1 0 377.456 1.723 20 0 GDADRO Cn1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360325 948121297 /nfs/dbraw/zinc/12/12/97/948121297.db2.gz GHAJOTUUIIGJSI-SFHVURJKSA-N 1 0 394.483 1.174 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCCC1 ZINC001573681896 948216301 /nfs/dbraw/zinc/21/63/01/948216301.db2.gz YOHYPPPGKPIFRX-SWLSCSKDSA-N 1 0 390.463 1.399 20 0 GDADRO CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573439273 948244569 /nfs/dbraw/zinc/24/45/69/948244569.db2.gz KNRQKVFTPKAFNP-ZBFHGGJFSA-N 1 0 376.486 1.434 20 0 GDADRO O=C1[C@H](N2CC[C@@H](C[NH+]3CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476379 948379725 /nfs/dbraw/zinc/37/97/25/948379725.db2.gz GGMXLXAZUREIMM-QFBILLFUSA-N 1 0 395.511 1.780 20 0 GDADRO C[C@@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573704794 948381977 /nfs/dbraw/zinc/38/19/77/948381977.db2.gz AOCWPVAZWHMXDI-NSHDSACASA-N 1 0 379.415 1.673 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573704910 948387517 /nfs/dbraw/zinc/38/75/17/948387517.db2.gz UTZRUSGEAGVUFW-QWRGUYRKSA-N 1 0 383.378 1.793 20 0 GDADRO c1ccc(NCC[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000826521908 948452657 /nfs/dbraw/zinc/45/26/57/948452657.db2.gz CVJZEDLYBGGXPN-UHFFFAOYSA-N 1 0 378.484 1.928 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573709034 948465487 /nfs/dbraw/zinc/46/54/87/948465487.db2.gz ZKUCQNFLMPGKRP-GOEBONIOSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573742677 948663171 /nfs/dbraw/zinc/66/31/71/948663171.db2.gz PSTUWTIQMFRAHQ-OLZOCXBDSA-N 1 0 390.467 1.582 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@@H]1CCCO1 ZINC001573745196 948670666 /nfs/dbraw/zinc/67/06/66/948670666.db2.gz BKDNKBDZIHMELL-RMIITELYSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C)n1cccn1 ZINC001573746491 948682859 /nfs/dbraw/zinc/68/28/59/948682859.db2.gz MTXFTVBDRUOOPR-CPUCHLNUSA-N 1 0 380.456 1.403 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C)n1cccn1 ZINC001573748053 948694050 /nfs/dbraw/zinc/69/40/50/948694050.db2.gz ZTWNCWVEEAHRCS-CPUCHLNUSA-N 1 0 380.456 1.403 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573753402 948718901 /nfs/dbraw/zinc/71/89/01/948718901.db2.gz TVNOKADDCOKAHO-DHXZDTOLSA-N 1 0 392.467 1.546 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CCC1 ZINC001573754072 948724403 /nfs/dbraw/zinc/72/44/03/948724403.db2.gz ZXTULIJZRIPHGX-MTYBJYJGSA-N 1 0 384.459 1.988 20 0 GDADRO CC(C)c1cccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574419700 948787698 /nfs/dbraw/zinc/78/76/98/948787698.db2.gz JJGLUMUHECYHQV-ZDUSSCGKSA-N 1 0 382.472 1.964 20 0 GDADRO C[C@H](CNC(=O)CCc1ccn(C)n1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574916699 948788128 /nfs/dbraw/zinc/78/81/28/948788128.db2.gz HTKHHMQODNAWTR-GFCCVEGCSA-N 1 0 388.501 1.231 20 0 GDADRO CC(C)[C@H](F)C(=O)NCCN1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574080482 948796333 /nfs/dbraw/zinc/79/63/33/948796333.db2.gz MBLWKKCHSMDETI-KRWDZBQOSA-N 1 0 389.479 1.095 20 0 GDADRO C[C@H](CNC(=O)CCc1cnccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574916943 948797894 /nfs/dbraw/zinc/79/78/94/948797894.db2.gz MVIHIMNWIHTYEC-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)c1cccc(C[N@H+](C)[C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574420556 948801628 /nfs/dbraw/zinc/80/16/28/948801628.db2.gz YLWOVFWZRBUNRX-CYBMUJFWSA-N 1 0 382.472 1.964 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574684777 948887788 /nfs/dbraw/zinc/88/77/88/948887788.db2.gz MOFZPRNNIYZBBV-FZMZJTMJSA-N 1 0 376.440 1.192 20 0 GDADRO C[C@@H](CNC(=O)CCc1nccs1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920297 948897488 /nfs/dbraw/zinc/89/74/88/948897488.db2.gz HXLCGEAAVHJNEZ-NSHDSACASA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)c1ncncc1C(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433317 948954384 /nfs/dbraw/zinc/95/43/84/948954384.db2.gz UDVSAQQCRZMJPG-GFCCVEGCSA-N 1 0 381.444 1.170 20 0 GDADRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC001574089618 948962073 /nfs/dbraw/zinc/96/20/73/948962073.db2.gz GBDGEUNKFLTJGS-ZWKOTPCHSA-N 1 0 383.500 2.000 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573773078 948972369 /nfs/dbraw/zinc/97/23/69/948972369.db2.gz GGBUDQRBXXAYDA-GOSISDBHSA-N 1 0 391.479 1.930 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1 ZINC001573773139 948977812 /nfs/dbraw/zinc/97/78/12/948977812.db2.gz HWSBISFTECDCRP-CQSZACIVSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575241647 948977848 /nfs/dbraw/zinc/97/78/48/948977848.db2.gz DXFSJVBXVLYNQR-JQWIXIFHSA-N 1 0 385.394 1.630 20 0 GDADRO C[C@H](CNC(=O)CN(C)c1ccccc1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574925830 948981634 /nfs/dbraw/zinc/98/16/34/948981634.db2.gz DZOVXOSZDFSZEC-CQSZACIVSA-N 1 0 380.456 1.339 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926159 948987774 /nfs/dbraw/zinc/98/77/74/948987774.db2.gz JNUFRQCHGCKWKZ-NSHDSACASA-N 1 0 392.895 1.340 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574926147 948988422 /nfs/dbraw/zinc/98/84/22/948988422.db2.gz JIYGOAAFLDEETQ-NSHDSACASA-N 1 0 378.456 1.295 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)CNc1cccc(F)c1-c1nn[nH]n1 ZINC001574926448 949000498 /nfs/dbraw/zinc/00/04/98/949000498.db2.gz QOPISBHKDSAGMV-GFCCVEGCSA-N 1 0 375.452 1.654 20 0 GDADRO C[C@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001575244170 949011592 /nfs/dbraw/zinc/01/15/92/949011592.db2.gz WTWLMLBQIHCTPY-SCLBCKFNSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@H](F)CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@@H]12 ZINC001575245929 949031580 /nfs/dbraw/zinc/03/15/80/949031580.db2.gz FRSBHUUNFJGTGH-WBHUJUFNSA-N 1 0 375.452 1.917 20 0 GDADRO CC(C)c1nnsc1C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574440950 949044953 /nfs/dbraw/zinc/04/49/53/949044953.db2.gz ZFKDRNCMAPXFCF-UHFFFAOYSA-N 1 0 392.514 1.765 20 0 GDADRO C[C@@H](F)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001575247586 949047701 /nfs/dbraw/zinc/04/77/01/949047701.db2.gz JTDZWFPOFJOKNJ-YIYPIFLZSA-N 1 0 375.452 1.916 20 0 GDADRO CC(C)c1nocc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574441220 949050756 /nfs/dbraw/zinc/05/07/56/949050756.db2.gz IBDQWPGHBQRQMH-CQSZACIVSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)(C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573780065 949079944 /nfs/dbraw/zinc/07/99/44/949079944.db2.gz QWOZGXKPHYKCBA-UHFFFAOYSA-N 1 0 392.467 1.363 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001575504783 949086862 /nfs/dbraw/zinc/08/68/62/949086862.db2.gz XVKPFLYJWCJGBU-RYUDHWBXSA-N 1 0 387.469 1.385 20 0 GDADRO CC(C)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574093188 949091970 /nfs/dbraw/zinc/09/19/70/949091970.db2.gz UXXVWNHPNJVAIW-PDFKHUOFSA-N 1 0 384.459 1.844 20 0 GDADRO C[C@@H](NC(=O)C1(C(F)F)CC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575251003 949125512 /nfs/dbraw/zinc/12/55/12/949125512.db2.gz JYELTOFPRRTMQM-LLVKDONJSA-N 1 0 376.411 1.849 20 0 GDADRO CC(C)[C@H]1C[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001574094123 949127163 /nfs/dbraw/zinc/12/71/63/949127163.db2.gz XMZIDYBXZBOVQV-ZIAGYGMSSA-N 1 0 385.472 1.053 20 0 GDADRO CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574446378 949128204 /nfs/dbraw/zinc/12/82/04/949128204.db2.gz NTESPWRAIFCVAH-BXUZGUMPSA-N 1 0 382.428 1.368 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574446389 949130041 /nfs/dbraw/zinc/13/00/41/949130041.db2.gz ODYQZJRNIHKBMG-AWEZNQCLSA-N 1 0 384.440 1.464 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573783131 949140197 /nfs/dbraw/zinc/14/01/97/949140197.db2.gz SCPOUDQETITYEV-GOSISDBHSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@@H](NC(=O)[C@]1(F)CCOC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575251990 949151825 /nfs/dbraw/zinc/15/18/25/949151825.db2.gz DFNDSUQUSXAIDH-ZMZPIMSZSA-N 1 0 392.410 1.071 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574934428 949158645 /nfs/dbraw/zinc/15/86/45/949158645.db2.gz HYGQGGZGAYFAIV-HNNXBMFYSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575514540 949166560 /nfs/dbraw/zinc/16/65/60/949166560.db2.gz CTBACRIAEUJLLG-GUYCJALGSA-N 1 0 383.456 1.021 20 0 GDADRO CC(C)c1ocnc1C[NH2+]C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001574448315 949181389 /nfs/dbraw/zinc/18/13/89/949181389.db2.gz IEPQCXWEFZYIIL-UHFFFAOYSA-N 1 0 384.444 1.701 20 0 GDADRO C[C@H](NC(=O)C(F)F)[C@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575253404 949185589 /nfs/dbraw/zinc/18/55/89/949185589.db2.gz SYKBSQNHPKBENP-QWRGUYRKSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574935007 949188824 /nfs/dbraw/zinc/18/88/24/949188824.db2.gz WWMOHCLKJFNWDR-ZDUSSCGKSA-N 1 0 384.415 1.679 20 0 GDADRO C[C@H](CNC(=O)Cc1cc(C2CC2)no1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574935366 949199614 /nfs/dbraw/zinc/19/96/14/949199614.db2.gz AWBKVAFXFSVNTI-GFCCVEGCSA-N 1 0 381.440 1.569 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@@](CO)([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573791598 949227173 /nfs/dbraw/zinc/22/71/73/949227173.db2.gz CQHYRHXBFZBBQC-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(Cl)s1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574937765 949230567 /nfs/dbraw/zinc/23/05/67/949230567.db2.gz QJLPSPSOHAEJGR-VIFPVBQESA-N 1 0 377.861 1.558 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC001575854648 949240158 /nfs/dbraw/zinc/24/01/58/949240158.db2.gz YZKJGOGUXMQXFG-ILXRZTDVSA-N 1 0 381.484 1.913 20 0 GDADRO CC(C)c1oncc1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574451783 949244744 /nfs/dbraw/zinc/24/47/44/949244744.db2.gz YOFOBJXQIMURJI-HAQNSBGRSA-N 1 0 382.428 1.416 20 0 GDADRO CC(C)n1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001574451978 949251665 /nfs/dbraw/zinc/25/16/65/949251665.db2.gz CSZRLSNMTDVOEQ-KRWDZBQOSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1ncccc1-c1nn[nH]n1 ZINC001574700268 949256091 /nfs/dbraw/zinc/25/60/91/949256091.db2.gz YOZSGWHDYGZGFE-GJZGRUSLSA-N 1 0 386.504 1.785 20 0 GDADRO C[C@@H](NC(=O)C1(F)CCOCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575256722 949256753 /nfs/dbraw/zinc/25/67/53/949256753.db2.gz WLJDOMHCDYJZHR-CYBMUJFWSA-N 1 0 388.447 1.322 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574940417 949262241 /nfs/dbraw/zinc/26/22/41/949262241.db2.gz FKPPNJJXULQKHE-CQSZACIVSA-N 1 0 391.479 1.579 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573792743 949265394 /nfs/dbraw/zinc/26/53/94/949265394.db2.gz UVYWTPIRJIGSRR-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCC1(F)F)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575258045 949290075 /nfs/dbraw/zinc/29/00/75/949290075.db2.gz DGOBXWWXNMNGMD-ABAIWWIYSA-N 1 0 376.411 1.849 20 0 GDADRO CC(C)(C)C(=O)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573793505 949294890 /nfs/dbraw/zinc/29/48/90/949294890.db2.gz SNRRYJLTRCMAOK-UHFFFAOYSA-N 1 0 376.486 1.528 20 0 GDADRO CC1=C(C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)CC1 ZINC001575861217 949321842 /nfs/dbraw/zinc/32/18/42/949321842.db2.gz PWSHMZLBHXFILO-QRVBRYPASA-N 1 0 396.495 1.665 20 0 GDADRO CC1(C)CN(C(=O)[C@]2(C)CCOC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575527415 949370123 /nfs/dbraw/zinc/37/01/23/949370123.db2.gz CBXUGYKDJTZOKA-OXJNMPFZSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CCCOC1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575262726 949376098 /nfs/dbraw/zinc/37/60/98/949376098.db2.gz BRPOPGGLLSXRDU-OLZOCXBDSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CCCOC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575262740 949379148 /nfs/dbraw/zinc/37/91/48/949379148.db2.gz BTGFNJAYFONBNI-OCCSQVGLSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574704283 949379526 /nfs/dbraw/zinc/37/95/26/949379526.db2.gz LZDWGZFLNUAKQL-PBHICJAKSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)(C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573801791 949403657 /nfs/dbraw/zinc/40/36/57/949403657.db2.gz CPTYMTNKBWTREM-SFHVURJKSA-N 1 0 376.436 1.105 20 0 GDADRO C[C@H](CNC(=O)Cc1cncs1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574945054 949407958 /nfs/dbraw/zinc/40/79/58/949407958.db2.gz JMSUAQGUAJTUDU-SNVBAGLBSA-N 1 0 375.433 1.299 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575534182 949425127 /nfs/dbraw/zinc/42/51/27/949425127.db2.gz KWTYULDANOKHCT-DJJJIMSYSA-N 1 0 388.447 1.371 20 0 GDADRO CC(C)n1cnc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001574465012 949425404 /nfs/dbraw/zinc/42/54/04/949425404.db2.gz SQTGFHXQWMAERR-INIZCTEOSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574705900 949443311 /nfs/dbraw/zinc/44/33/11/949443311.db2.gz KIPFZFFHJYQPPJ-FZMZJTMJSA-N 1 0 392.895 1.658 20 0 GDADRO CC(C)c1nccn1CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574947838 949451503 /nfs/dbraw/zinc/45/15/03/949451503.db2.gz DVNXERZEWQKNER-CQSZACIVSA-N 1 0 382.472 1.481 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575266037 949465986 /nfs/dbraw/zinc/46/59/86/949465986.db2.gz WVHROEYPZCCLBQ-YVEFUNNKSA-N 1 0 387.463 1.037 20 0 GDADRO C[C@H](NC(=O)CC1OCCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575267370 949502451 /nfs/dbraw/zinc/50/24/51/949502451.db2.gz IMCVFDNRPWISHH-NSHDSACASA-N 1 0 392.485 1.018 20 0 GDADRO C[C@H](NC(=O)C[C@H]1CCCOC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575268757 949527124 /nfs/dbraw/zinc/52/71/24/949527124.db2.gz ORVDTTAKZSBBNO-GOEBONIOSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@]3(CCN(c4cc[nH+]cc4-c4nn[nH]n4)C3)C2)CCOC1 ZINC001575538904 949531639 /nfs/dbraw/zinc/53/16/39/949531639.db2.gz KXCNJLQUBLUDEI-MOPGFXCFSA-N 1 0 383.456 1.117 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574711515 949542016 /nfs/dbraw/zinc/54/20/16/949542016.db2.gz IFFCDKSXRYTYGV-YOEHRIQHSA-N 1 0 391.479 1.613 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccncc1-c1nn[nH]n1 ZINC001575872383 949543622 /nfs/dbraw/zinc/54/36/22/949543622.db2.gz IRQBWJAYAYEXTH-UKRRQHHQSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575539128 949544428 /nfs/dbraw/zinc/54/44/28/949544428.db2.gz NCHOXZGLUXLVQD-YLJYHZDGSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576164282 949554237 /nfs/dbraw/zinc/55/42/37/949554237.db2.gz GOQHPTVSYYAUGC-WSMBLCCSSA-N 1 0 385.472 1.338 20 0 GDADRO CC1(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCOCC1 ZINC001575539746 949557182 /nfs/dbraw/zinc/55/71/82/949557182.db2.gz SMXLNTKBZVWAFW-KRWDZBQOSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H](NC(=O)C[C@H]1CCCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575269732 949560701 /nfs/dbraw/zinc/56/07/01/949560701.db2.gz WONXZFGMPHHJBW-TZMCWYRMSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574712245 949577294 /nfs/dbraw/zinc/57/72/94/949577294.db2.gz QYDLHQAFAKKAOL-RDTXWAMCSA-N 1 0 391.479 1.613 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cnoc1 ZINC001573810831 949581624 /nfs/dbraw/zinc/58/16/24/949581624.db2.gz DOYMQHAVXAGECP-CQSZACIVSA-N 1 0 389.485 1.779 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1ccon1 ZINC001573811556 949598462 /nfs/dbraw/zinc/59/84/62/949598462.db2.gz LQMKTKRAVKXIFP-INIZCTEOSA-N 1 0 383.456 1.718 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cnsn1 ZINC001573811361 949598812 /nfs/dbraw/zinc/59/88/12/949598812.db2.gz KYKVRQHNCOQEIJ-CQSZACIVSA-N 1 0 386.485 1.653 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]CC1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573811548 949600269 /nfs/dbraw/zinc/60/02/69/949600269.db2.gz LKJLTMWMXZOFRH-HNNXBMFYSA-N 1 0 375.477 1.356 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cn[nH]n1 ZINC001573811624 949602887 /nfs/dbraw/zinc/60/28/87/949602887.db2.gz MLQVLTZPTNLXOV-AWEZNQCLSA-N 1 0 387.423 1.058 20 0 GDADRO C[C@H]1CCCC[C@H]1OCC[N@H+](C)CCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576167564 949609278 /nfs/dbraw/zinc/60/92/78/949609278.db2.gz QQEATHCGBZZPHD-WMLDXEAASA-N 1 0 389.504 1.794 20 0 GDADRO CC(C)CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574128227 949623431 /nfs/dbraw/zinc/62/34/31/949623431.db2.gz MNGXFOAQVOXJPG-LBPRGKRZSA-N 1 0 380.518 1.567 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH]cn1 ZINC001573813213 949628977 /nfs/dbraw/zinc/62/89/77/949628977.db2.gz XCTHNQPLMYMNNV-INIZCTEOSA-N 1 0 382.472 1.453 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccn[nH]1 ZINC001573813257 949629799 /nfs/dbraw/zinc/62/97/99/949629799.db2.gz XMJCILHYWZMCGF-HNNXBMFYSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714862 949637033 /nfs/dbraw/zinc/63/70/33/949637033.db2.gz GZEUWRDZCXWHQV-HIFRSBDPSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575547863 949644172 /nfs/dbraw/zinc/64/41/72/949644172.db2.gz HSLUNSNPKUJMSD-DNVCBOLYSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]1CCCN(C(=O)Cc2cccnc2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576168644 949650358 /nfs/dbraw/zinc/65/03/58/949650358.db2.gz CTLJESJJZLYPQE-KBXCAEBGSA-N 1 0 392.467 1.360 20 0 GDADRO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1c1ncc(-c2nn[nH]n2)cc1Cl ZINC001575876752 949653225 /nfs/dbraw/zinc/65/32/25/949653225.db2.gz KKLYHFDRLCENKN-FZMZJTMJSA-N 1 0 392.895 1.340 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576169059 949663749 /nfs/dbraw/zinc/66/37/49/949663749.db2.gz DQTHKRJQSZTLBZ-GOEBONIOSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2=COCCO2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575877446 949667099 /nfs/dbraw/zinc/66/70/99/949667099.db2.gz ZUGKDMRLZUBNPR-BBRMVZONSA-N 1 0 384.440 1.224 20 0 GDADRO C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576169243 949671935 /nfs/dbraw/zinc/67/19/35/949671935.db2.gz FZNOLRSBVSUMLQ-GOEBONIOSA-N 1 0 386.504 1.643 20 0 GDADRO C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576169254 949672939 /nfs/dbraw/zinc/67/29/39/949672939.db2.gz GAXKEBGIXQBPPZ-CXAGYDPISA-N 1 0 380.456 1.293 20 0 GDADRO C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@@H]3C2)CCOC1 ZINC001575552245 949677896 /nfs/dbraw/zinc/67/78/96/949677896.db2.gz FNDBPHQQULYMGD-QKLQHJQFSA-N 1 0 382.468 1.184 20 0 GDADRO C[C@H](NC(=O)CCC[NH+](C)C)C1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575274118 949678442 /nfs/dbraw/zinc/67/84/42/949678442.db2.gz YUPCKWRBFRPWGX-ZDUSSCGKSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574959362 949706920 /nfs/dbraw/zinc/70/69/20/949706920.db2.gz QKVNTQUCDOEHIF-RAIGVLPGSA-N 1 0 384.419 1.127 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574959822 949718371 /nfs/dbraw/zinc/71/83/71/949718371.db2.gz USFBVFBWLHYOLD-NILFDRSVSA-N 1 0 384.415 1.997 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCc1ccon1 ZINC001573818301 949731451 /nfs/dbraw/zinc/73/14/51/949731451.db2.gz KDNQZXXPNDFEEN-HNNXBMFYSA-N 1 0 384.444 1.247 20 0 GDADRO C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576170739 949731910 /nfs/dbraw/zinc/73/19/10/949731910.db2.gz NVBPFVKUTXVNQU-XJKSGUPXSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C2CC2)CCOC1 ZINC001575559260 949749685 /nfs/dbraw/zinc/74/96/85/949749685.db2.gz VWHIISFEVWKQEE-QFBILLFUSA-N 1 0 388.447 1.417 20 0 GDADRO CC1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CCOCC1 ZINC001575559925 949772991 /nfs/dbraw/zinc/77/29/91/949772991.db2.gz ZENGAVNXVHWERI-QGZVFWFLSA-N 1 0 384.484 1.668 20 0 GDADRO CC(C)C[C@@H](C)C[NH+]1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001574138130 949783194 /nfs/dbraw/zinc/78/31/94/949783194.db2.gz AYKIISXPASYFIM-OAHLLOKOSA-N 1 0 388.520 1.224 20 0 GDADRO 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ZINC001576193649 950306370 /nfs/dbraw/zinc/30/63/70/950306370.db2.gz VDUDVYIWGJCNAB-GXTWGEPZSA-N 1 0 382.428 1.138 20 0 GDADRO CC(C)C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574159402 950306566 /nfs/dbraw/zinc/30/65/66/950306566.db2.gz HCCDMUTYELGFDS-HIFRSBDPSA-N 1 0 390.467 1.438 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C[NH2+]Cc1cccnc1 ZINC001576193720 950311844 /nfs/dbraw/zinc/31/18/44/950311844.db2.gz WMRODZDNNSWCCA-DZGCQCFKSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1nccs1 ZINC001575906359 950312328 /nfs/dbraw/zinc/31/23/28/950312328.db2.gz HXPADLYGDBZOCO-HZMBPMFUSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)[C@@H]1CCCO1 ZINC001574500383 950312074 /nfs/dbraw/zinc/31/20/74/950312074.db2.gz ZXKFPKFDNBOJCD-CJNGLKHVSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)[C@@H]1CCCO1 ZINC001574500382 950313507 /nfs/dbraw/zinc/31/35/07/950313507.db2.gz ZXKFPKFDNBOJCD-BBRMVZONSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccon1 ZINC001575906338 950314119 /nfs/dbraw/zinc/31/41/19/950314119.db2.gz HMPFWWIJDYDNIB-SUMWQHHRSA-N 1 0 381.440 1.567 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ccc(F)cn1 ZINC001575906918 950319610 /nfs/dbraw/zinc/31/96/10/950319610.db2.gz KPZOOICXJQQSGV-GXFFZTMASA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576194013 950328242 /nfs/dbraw/zinc/32/82/42/950328242.db2.gz XMIIVPOCVYGAOJ-HIFRSBDPSA-N 1 0 378.440 1.289 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c(Cl)cnn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574743754 950340561 /nfs/dbraw/zinc/34/05/61/950340561.db2.gz VULHMCBSAQRHIK-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)C1CCOCC1 ZINC001575907954 950349131 /nfs/dbraw/zinc/34/91/31/950349131.db2.gz RXOBAIHPKKLXKK-SJKOYZFVSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cccnc1 ZINC001575908101 950352616 /nfs/dbraw/zinc/35/26/16/950352616.db2.gz AKGPTGAVUHESFC-KBXCAEBGSA-N 1 0 377.452 1.583 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cnsn1 ZINC001575908601 950374394 /nfs/dbraw/zinc/37/43/94/950374394.db2.gz VPTHKFNMBWXHKV-SCZZXKLOSA-N 1 0 376.471 1.173 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1n[nH]cc1F ZINC001575908882 950383745 /nfs/dbraw/zinc/38/37/45/950383745.db2.gz WSIXFFXKOCEKEK-XPTSAGLGSA-N 1 0 388.382 1.261 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)CC(C)(C)O ZINC001575909373 950394344 /nfs/dbraw/zinc/39/43/44/950394344.db2.gz ZEEIUUHPKDWYTN-NHYWBVRUSA-N 1 0 376.436 1.246 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cnn2cc[nH]c12 ZINC001575909517 950401782 /nfs/dbraw/zinc/40/17/82/950401782.db2.gz HARDMBIWQPPVNT-MLGOLLRUSA-N 1 0 391.439 1.235 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575597287 950406409 /nfs/dbraw/zinc/40/64/09/950406409.db2.gz OAEAUIWLUARFDZ-KSMMKXTCSA-N 1 0 388.447 1.417 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C)n1 ZINC001575909804 950408006 /nfs/dbraw/zinc/40/80/06/950408006.db2.gz IIAQJAWMXAUYRQ-DOMZBBRYSA-N 1 0 383.460 1.365 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(F)c2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575910408 950416580 /nfs/dbraw/zinc/41/65/80/950416580.db2.gz KUAGLLYZLIPRAR-IINYFYTJSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001576199462 950424075 /nfs/dbraw/zinc/42/40/75/950424075.db2.gz ZBOZXZMOKYPSOE-CQSZACIVSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cnc(Cl)s2)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575910623 950424522 /nfs/dbraw/zinc/42/45/22/950424522.db2.gz MNMARYVAMGWEDK-WPRPVWTQSA-N 1 0 392.876 1.698 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574506025 950424752 /nfs/dbraw/zinc/42/47/52/950424752.db2.gz AANJMKFIIFOVGO-STQMWFEESA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cccnc1 ZINC001575910664 950425215 /nfs/dbraw/zinc/42/52/15/950425215.db2.gz MQEHHQWEUXEYRV-HNAYVOBHSA-N 1 0 391.479 1.974 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573860663 950426969 /nfs/dbraw/zinc/42/69/69/950426969.db2.gz LEGLEBNMRZJFNW-XJKSGUPXSA-N 1 0 388.472 1.747 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCn1cccn1 ZINC001575911218 950437873 /nfs/dbraw/zinc/43/78/73/950437873.db2.gz NTOIKQSXLMOXTO-WMLDXEAASA-N 1 0 380.456 1.233 20 0 GDADRO C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001574507202 950453745 /nfs/dbraw/zinc/45/37/45/950453745.db2.gz FYFGCSNRDZSGQW-AWEZNQCLSA-N 1 0 382.472 1.342 20 0 GDADRO CC1CC[NH+](CC(=O)NC2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001576204873 950484213 /nfs/dbraw/zinc/48/42/13/950484213.db2.gz DDQFIUAFROTESE-UHFFFAOYSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574994980 950497467 /nfs/dbraw/zinc/49/74/67/950497467.db2.gz BPDPFKSXLKCTRX-NSHDSACASA-N 1 0 384.444 1.802 20 0 GDADRO CC(C)CCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574168351 950510384 /nfs/dbraw/zinc/51/03/84/950510384.db2.gz UWODMAFEWOXYDK-ZDUSSCGKSA-N 1 0 380.518 1.616 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574509804 950530531 /nfs/dbraw/zinc/53/05/31/950530531.db2.gz XZMWHTMUMSVGCB-RYUDHWBXSA-N 1 0 388.501 1.450 20 0 GDADRO CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576205655 950530833 /nfs/dbraw/zinc/53/08/33/950530833.db2.gz LTOXDXYSXSBMPV-SWLSCSKDSA-N 1 0 390.467 1.295 20 0 GDADRO CC(C)c1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)nn1C ZINC001574996733 950533764 /nfs/dbraw/zinc/53/37/64/950533764.db2.gz PCPLIKFNXCPMCC-ZDUSSCGKSA-N 1 0 382.472 1.632 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574997237 950537580 /nfs/dbraw/zinc/53/75/80/950537580.db2.gz SDUFLZRZNFGACP-NSHDSACASA-N 1 0 383.460 1.182 20 0 GDADRO CC(C)(C)OCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001573868868 950545053 /nfs/dbraw/zinc/54/50/53/950545053.db2.gz GNSLCSHQCZDUGP-IYBDPMFKSA-N 1 0 384.484 1.572 20 0 GDADRO C[C@@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575917390 950568431 /nfs/dbraw/zinc/56/84/31/950568431.db2.gz XEMMOTFROGVKFV-HIFRSBDPSA-N 1 0 386.504 1.641 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574755144 950591222 /nfs/dbraw/zinc/59/12/22/950591222.db2.gz SBEICEKMLXMYNJ-CYBMUJFWSA-N 1 0 382.472 1.964 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576207394 950595592 /nfs/dbraw/zinc/59/55/92/950595592.db2.gz GWQGXKPJSJWAEL-GFCCVEGCSA-N 1 0 392.895 1.564 20 0 GDADRO CC(C)(C)OCC(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCC1 ZINC001573871520 950620510 /nfs/dbraw/zinc/62/05/10/950620510.db2.gz QOCQZBAEDDVQTQ-UHFFFAOYSA-N 1 0 390.463 1.949 20 0 GDADRO CC(C)(C)OCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573871742 950625292 /nfs/dbraw/zinc/62/52/92/950625292.db2.gz UZSJSNDWDSTKEF-UHFFFAOYSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cccn1 ZINC001574515136 950625690 /nfs/dbraw/zinc/62/56/90/950625690.db2.gz AEBPHTXETVTHTL-WKCGWZECSA-N 1 0 392.467 1.261 20 0 GDADRO C[C@H](CN(C)C(=O)c1cccc2nc[nH]c21)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574759183 950631687 /nfs/dbraw/zinc/63/16/87/950631687.db2.gz LKLYDHFRNVAKFO-CYBMUJFWSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574518252 950650797 /nfs/dbraw/zinc/65/07/97/950650797.db2.gz MWSJYOGDDNIBQC-IIVZCXTMSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574518673 950654380 /nfs/dbraw/zinc/65/43/80/950654380.db2.gz PKSRTELJPWSBKG-BMFZPTHFSA-N 1 0 380.456 1.451 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924320 950673431 /nfs/dbraw/zinc/67/34/31/950673431.db2.gz FFEQIGAUXAESRQ-BMIGLBTASA-N 1 0 385.378 1.677 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COc1ccccc1 ZINC001575924509 950676617 /nfs/dbraw/zinc/67/66/17/950676617.db2.gz FMLWUSBVTSWNKE-BBRMVZONSA-N 1 0 379.424 1.164 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCn1cccc1 ZINC001575925863 950693131 /nfs/dbraw/zinc/69/31/31/950693131.db2.gz VPLQLCXBMIFHDM-ZBFHGGJFSA-N 1 0 380.456 1.367 20 0 GDADRO C[C@H]1[C@@H](O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@@H](C)C2 ZINC001576216364 950732286 /nfs/dbraw/zinc/73/22/86/950732286.db2.gz HXUIIJCZQOYSBF-MDZLAQPJSA-N 1 0 390.513 1.837 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574763943 950740546 /nfs/dbraw/zinc/74/05/46/950740546.db2.gz NHSGRAQRMHMADX-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CN(C)C(=O)c1cncs1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574764011 950744210 /nfs/dbraw/zinc/74/42/10/950744210.db2.gz OXTGLXDZRVTWRK-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnn2c1CCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574764803 950760642 /nfs/dbraw/zinc/76/06/42/950760642.db2.gz YVFISLYWLPRUPP-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575927818 950760775 /nfs/dbraw/zinc/76/07/75/950760775.db2.gz VBPBUPZNWISZJM-LRDDRELGSA-N 1 0 390.451 1.671 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncccc1O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574765295 950780789 /nfs/dbraw/zinc/78/07/89/950780789.db2.gz HDEPOQASBIRKEA-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ncc[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574521760 950783069 /nfs/dbraw/zinc/78/30/69/950783069.db2.gz HMBNKLHDXVIHFH-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573884729 950808280 /nfs/dbraw/zinc/80/82/80/950808280.db2.gz KDSNHUUAHLQNSD-NSHDSACASA-N 1 0 381.444 1.031 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1=COCCO1 ZINC001574523582 950816235 /nfs/dbraw/zinc/81/62/35/950816235.db2.gz OFDRJFRUCPGBQP-RYUDHWBXSA-N 1 0 390.419 1.267 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1ccon1 ZINC001574523691 950821551 /nfs/dbraw/zinc/82/15/51/950821551.db2.gz PHZDPDHOPZIUFJ-VXGBXAGGSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCc1c[nH]cn1 ZINC001574523734 950830754 /nfs/dbraw/zinc/83/07/54/950830754.db2.gz PXBCWEHLOVHJBS-UONOGXRCSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1ncc[nH]1 ZINC001574524135 950843573 /nfs/dbraw/zinc/84/35/73/950843573.db2.gz UCKZVPIZIBWWKF-VXGBXAGGSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cncn1C ZINC001574524483 950863077 /nfs/dbraw/zinc/86/30/77/950863077.db2.gz XABQLUAZMCQNRQ-ZIAGYGMSSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@@H](CN(C)C(=O)c1coc(C2CC2)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574767675 950865705 /nfs/dbraw/zinc/86/57/05/950865705.db2.gz UMLQQDTZPZILKK-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575640480 950895393 /nfs/dbraw/zinc/89/53/93/950895393.db2.gz HTQIOAVTWGKNDV-ZDUSSCGKSA-N 1 0 381.444 1.410 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1csc(=O)[nH]1 ZINC001574527695 950900926 /nfs/dbraw/zinc/90/09/26/950900926.db2.gz FZLXLRIZRAMAMA-WDEREUQCSA-N 1 0 387.469 1.716 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnns1 ZINC001574527904 950913971 /nfs/dbraw/zinc/91/39/71/950913971.db2.gz IKJASMPFJCUPJB-NXEZZACHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cn(C)cn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574527880 950914070 /nfs/dbraw/zinc/91/40/70/950914070.db2.gz IHLYHRCMKHLGGL-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001574190739 950916753 /nfs/dbraw/zinc/91/67/53/950916753.db2.gz ZVVSXHGPTACGQX-QZTJIDSGSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ncccc1O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574528640 950936749 /nfs/dbraw/zinc/93/67/49/950936749.db2.gz NVAHAJZFQCNNOR-OLZOCXBDSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnccn1 ZINC001574528616 950938841 /nfs/dbraw/zinc/93/88/41/950938841.db2.gz NQHLLMVXGZRAGC-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccnnc1 ZINC001574528738 950941983 /nfs/dbraw/zinc/94/19/83/950941983.db2.gz OHVSKBUMORGZTC-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nn[nH]n2)CCN1C(=O)CC[NH+](C)C ZINC001575937570 950949711 /nfs/dbraw/zinc/94/97/11/950949711.db2.gz KQBMZCVSUVFXHT-RKDXNWHRSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCCO1 ZINC001574771987 950953550 /nfs/dbraw/zinc/95/35/50/950953550.db2.gz ODPVMDMSZGEZAL-CZUORRHYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cccnn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574530205 950976328 /nfs/dbraw/zinc/97/63/28/950976328.db2.gz TZYKRPUSTBIGGX-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](CNC(=O)c1ccc(C(F)F)o1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575017313 950984487 /nfs/dbraw/zinc/98/44/87/950984487.db2.gz CZKCLICIWJWEMV-VIFPVBQESA-N 1 0 377.355 1.692 20 0 GDADRO CC(C)CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001574195547 950994114 /nfs/dbraw/zinc/99/41/14/950994114.db2.gz ROMHPMIKLQYNBN-IBGZPJMESA-N 1 0 387.488 1.548 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1csnn1 ZINC001574530872 951000776 /nfs/dbraw/zinc/00/07/76/951000776.db2.gz YEKYRTUVZMGDMN-IUCAKERBSA-N 1 0 378.487 1.466 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)COC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024667 951113388 /nfs/dbraw/zinc/11/33/88/951113388.db2.gz KFNANJVDNBFDLU-CYBMUJFWSA-N 1 0 378.436 1.805 20 0 GDADRO C[C@H](CNC(=O)c1cccc(=O)[nH]1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575026945 951150153 /nfs/dbraw/zinc/15/01/53/951150153.db2.gz OOEOPKTZMBNFAW-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575027574 951161084 /nfs/dbraw/zinc/16/10/84/951161084.db2.gz GKAGVPHFDCGXPP-CYBMUJFWSA-N 1 0 380.456 1.582 20 0 GDADRO C[C@@H](CNC(=O)c1cccnc1C(F)(F)F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575031922 951211197 /nfs/dbraw/zinc/21/11/97/951211197.db2.gz MCKPZVVELFFSOE-VIFPVBQESA-N 1 0 392.345 1.328 20 0 GDADRO C[C@@H](CNC(=O)c1ccnn1C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575033953 951234183 /nfs/dbraw/zinc/23/41/83/951234183.db2.gz FKGSADWNRIXEFP-NSHDSACASA-N 1 0 386.485 1.758 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575034491 951250963 /nfs/dbraw/zinc/25/09/63/951250963.db2.gz BTWUQVXOXGDQAM-LLVKDONJSA-N 1 0 379.428 1.184 20 0 GDADRO C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575036660 951297322 /nfs/dbraw/zinc/29/73/22/951297322.db2.gz VDICFNLATPNNMJ-GFCCVEGCSA-N 1 0 381.444 1.226 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575042399 951362439 /nfs/dbraw/zinc/36/24/39/951362439.db2.gz JEKWQNPNSJENOT-LLVKDONJSA-N 1 0 388.501 1.693 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575042635 951364764 /nfs/dbraw/zinc/36/47/64/951364764.db2.gz ASVOOPNQZYCRPN-LLVKDONJSA-N 1 0 381.444 1.002 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)o1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575043647 951399046 /nfs/dbraw/zinc/39/90/46/951399046.db2.gz LJSHJBDANJUXRR-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044015 951408559 /nfs/dbraw/zinc/40/85/59/951408559.db2.gz NVKMLDFOHNIOFU-LBPRGKRZSA-N 1 0 381.444 1.049 20 0 GDADRO CC(C)c1ncncc1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575046675 951446353 /nfs/dbraw/zinc/44/63/53/951446353.db2.gz QYCUEUOORDBWIT-CYBMUJFWSA-N 1 0 380.456 1.688 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(F)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575046975 951449703 /nfs/dbraw/zinc/44/97/03/951449703.db2.gz WJKSTAIRWCGRHO-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1C(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575052398 951463637 /nfs/dbraw/zinc/46/36/37/951463637.db2.gz IJMMFPJMIVNFDN-SNVBAGLBSA-N 1 0 390.398 1.446 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2c1CCC2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575054683 951495325 /nfs/dbraw/zinc/49/53/25/951495325.db2.gz JVYILDDMWJOSCT-NSHDSACASA-N 1 0 384.419 1.057 20 0 GDADRO C[C@H](CNC(=O)c1cnn2c1CCC2)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575055279 951501209 /nfs/dbraw/zinc/50/12/09/951501209.db2.gz PJDFWANKHZPIJC-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CNC(=O)c1cnn2ncccc12)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575055321 951503171 /nfs/dbraw/zinc/50/31/71/951503171.db2.gz QMAUXFBCIIBQMV-CYBMUJFWSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575055405 951506518 /nfs/dbraw/zinc/50/65/18/951506518.db2.gz SLXQAWAEPIQUQU-LLVKDONJSA-N 1 0 390.398 1.080 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575055492 951508507 /nfs/dbraw/zinc/50/85/07/951508507.db2.gz VQWWMDHMNOAJPO-NSHDSACASA-N 1 0 386.485 1.443 20 0 GDADRO C[C@@H](CNC(=O)c1coc(CC2CC2)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575056323 951517883 /nfs/dbraw/zinc/51/78/83/951517883.db2.gz HKVJFZGNLWGEOJ-LBPRGKRZSA-N 1 0 381.440 1.715 20 0 GDADRO CC(C)c1nocc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575057822 951530577 /nfs/dbraw/zinc/53/05/77/951530577.db2.gz QXIKYYAKTBVGST-JTQLQIEISA-N 1 0 375.458 1.948 20 0 GDADRO C[C@H](CNC(=O)c1nc(Cl)cs1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575060718 951546124 /nfs/dbraw/zinc/54/61/24/951546124.db2.gz DXFFPURYBDMVQM-SECBINFHSA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1nn(C)cc1Cl)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575064615 951576539 /nfs/dbraw/zinc/57/65/39/951576539.db2.gz AZAODPXGRLGYJR-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H](CNC(=O)Cc1cncs1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077214 951663877 /nfs/dbraw/zinc/66/38/77/951663877.db2.gz AQZIVIYLSFYUJW-LLVKDONJSA-N 1 0 389.460 1.547 20 0 GDADRO C[C@H](CNC(=O)C1(CF)CCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077423 951667712 /nfs/dbraw/zinc/66/77/12/951667712.db2.gz CMZVKYXJXQPGCN-LBPRGKRZSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001575077405 951668473 /nfs/dbraw/zinc/66/84/73/951668473.db2.gz CKAFSXFDPDEVAZ-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)n1cccc1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077630 951673432 /nfs/dbraw/zinc/67/34/32/951673432.db2.gz HFLBFEMOCSLHKZ-KGLIPLIRSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC1CCC(F)(F)CC1 ZINC001575078076 951676923 /nfs/dbraw/zinc/67/69/23/951676923.db2.gz JZSHTOQLECOCNA-LLVKDONJSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@H](CNC(=O)[C@]1(C)CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078800 951684011 /nfs/dbraw/zinc/68/40/11/951684011.db2.gz ABMYWTKFJHAMGS-ORAYPTAESA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)CCn1ccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078950 951686272 /nfs/dbraw/zinc/68/62/72/951686272.db2.gz BHVARXSUTSSUIW-CYBMUJFWSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@H]1CCOC1 ZINC001575079497 951692594 /nfs/dbraw/zinc/69/25/94/951692594.db2.gz QDCMIPAVBYYXBZ-CHWSQXEVSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1ccncc1F ZINC001575079835 951698111 /nfs/dbraw/zinc/69/81/11/951698111.db2.gz GZBZEEDYJCVBDG-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@H](O)C1CCCCC1 ZINC001575079815 951698392 /nfs/dbraw/zinc/69/83/92/951698392.db2.gz OYBSELSVTHVGOA-LRDDRELGSA-N 1 0 375.477 1.092 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1cc(O)ccc1Cl ZINC001575081689 951726191 /nfs/dbraw/zinc/72/61/91/951726191.db2.gz RKGCQEMQCMYEQI-SNVBAGLBSA-N 1 0 389.847 1.710 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)[C@H]1CCCO1)C1CC1 ZINC001575081920 951729569 /nfs/dbraw/zinc/72/95/69/951729569.db2.gz WSXHWUQANHXHCW-APWZRJJASA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](CNC(=O)[C@]1(C)CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082069 951731727 /nfs/dbraw/zinc/73/17/27/951731727.db2.gz UWHJPQQCJXWUKG-KZULUSFZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)COCC(F)F ZINC001575088600 951740867 /nfs/dbraw/zinc/74/08/67/951740867.db2.gz BTZFQIZGLQZZIG-JTQLQIEISA-N 1 0 386.378 1.224 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575088707 951743252 /nfs/dbraw/zinc/74/32/52/951743252.db2.gz BEHGORNJWBCJOO-APPDUMDISA-N 1 0 376.486 1.339 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cnns1 ZINC001575089151 951748160 /nfs/dbraw/zinc/74/81/60/951748160.db2.gz FDJNDMYRAOICHF-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](CNC(=O)CCc1cncs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089288 951748175 /nfs/dbraw/zinc/74/81/75/951748175.db2.gz FHUKOMKMOHHSHK-ZDUSSCGKSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CCOC1 ZINC001575089510 951751039 /nfs/dbraw/zinc/75/10/39/951751039.db2.gz GITNKWMXWAJVBJ-QWHCGFSZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cncs1 ZINC001575090715 951763461 /nfs/dbraw/zinc/76/34/61/951763461.db2.gz LKPJDDDXMFEQNN-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1CC(F)(F)C1 ZINC001575091235 951771469 /nfs/dbraw/zinc/77/14/69/951771469.db2.gz QGSWZYLFFZAPJP-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575091295 951772945 /nfs/dbraw/zinc/77/29/45/951772945.db2.gz QIJUZPLMOFVISP-GTNSWQLSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1cscn1 ZINC001575091545 951777888 /nfs/dbraw/zinc/77/78/88/951777888.db2.gz URNTVKWWLMILOD-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)c1ccncn1)C1CC1 ZINC001575091934 951786724 /nfs/dbraw/zinc/78/67/24/951786724.db2.gz ZFFCWLXCZMHQFX-QGZVFWFLSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575094824 951805836 /nfs/dbraw/zinc/80/58/36/951805836.db2.gz PWSPKJQISIROQE-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575095472 951811720 /nfs/dbraw/zinc/81/17/20/951811720.db2.gz UMQCNRMTAJQPHN-SNVBAGLBSA-N 1 0 390.398 1.778 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575096006 951817030 /nfs/dbraw/zinc/81/70/30/951817030.db2.gz YHWXQWFLTFVFJR-OAHLLOKOSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098735 951825756 /nfs/dbraw/zinc/82/57/56/951825756.db2.gz FTIWZQNZAQCSOG-CHWSQXEVSA-N 1 0 378.502 1.587 20 0 GDADRO C[C@@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099332 951832212 /nfs/dbraw/zinc/83/22/12/951832212.db2.gz KFYHFNQPKYKNMT-MRVPVSSYSA-N 1 0 379.471 1.246 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCCn1cccn1 ZINC001575099383 951833380 /nfs/dbraw/zinc/83/33/80/951833380.db2.gz LEUAXHUTPHGRTP-ZDUSSCGKSA-N 1 0 388.501 1.542 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cn1 ZINC001575100109 951841115 /nfs/dbraw/zinc/84/11/15/951841115.db2.gz QSWAFLCIFQQQTP-LBPRGKRZSA-N 1 0 388.501 1.861 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100562 951847421 /nfs/dbraw/zinc/84/74/21/951847421.db2.gz UFUAUNJFKCMTBF-ZDUSSCGKSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@@H](CNC(=O)Cc1ncccc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575101013 951851650 /nfs/dbraw/zinc/85/16/50/951851650.db2.gz XOGRQBQQVDVKCN-LLVKDONJSA-N 1 0 389.460 1.547 20 0 GDADRO C[C@@H](CNC(=O)[C@@]1(C)CCCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101388 951857760 /nfs/dbraw/zinc/85/77/60/951857760.db2.gz CTKGMMSSZSIZGM-YJYMSZOUSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575102366 951867922 /nfs/dbraw/zinc/86/79/22/951867922.db2.gz LXJCTTZJGSUCSL-DJJJIMSYSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cc(Cl)no1 ZINC001575103438 951875603 /nfs/dbraw/zinc/87/56/03/951875603.db2.gz UHVQQDMQHYLVLU-QMMMGPOBSA-N 1 0 381.849 1.820 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575103701 951878025 /nfs/dbraw/zinc/87/80/25/951878025.db2.gz VIDJYXOOZPYNNF-GXTWGEPZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CCn1cccn1 ZINC001575104072 951880966 /nfs/dbraw/zinc/88/09/66/951880966.db2.gz BCQICCODJFGHAS-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@H](CNC(=O)CCc1cnn(C)c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104500 951886125 /nfs/dbraw/zinc/88/61/25/951886125.db2.gz DLOFCTFZPAPAMG-AWEZNQCLSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575105170 951889700 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YCMGGIWLENCFBS-IBGZPJMESA-N 1 0 380.456 1.207 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575144062 952161748 /nfs/dbraw/zinc/16/17/48/952161748.db2.gz FVRWAGVDFMBZMZ-SFHVURJKSA-N 1 0 382.403 1.228 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575144299 952163826 /nfs/dbraw/zinc/16/38/26/952163826.db2.gz HPOBDDVQVAAQJG-LJQANCHMSA-N 1 0 379.424 1.400 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575146453 952193957 /nfs/dbraw/zinc/19/39/57/952193957.db2.gz LHFGNYQJMHOMIF-NSHDSACASA-N 1 0 387.394 1.463 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001575166012 952320818 /nfs/dbraw/zinc/32/08/18/952320818.db2.gz RZNDLIXBIFMDIS-LLVKDONJSA-N 1 0 392.895 1.658 20 0 GDADRO C[C@@H](CNc1ncccc1-c1nn[nH]n1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575168468 952342566 /nfs/dbraw/zinc/34/25/66/952342566.db2.gz MRZZWLFZJJPKFU-HNNXBMFYSA-N 1 0 386.504 1.787 20 0 GDADRO 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379.424 1.362 20 0 GDADRO Cc1ccn(C)c1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571150649 952669228 /nfs/dbraw/zinc/66/92/28/952669228.db2.gz DLUIFTJJNOBVPW-QGZVFWFLSA-N 1 0 379.468 1.908 20 0 GDADRO CCc1ccc(CC[N@@H+]2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 ZINC001571151731 952678081 /nfs/dbraw/zinc/67/80/81/952678081.db2.gz VVNBQRISANLIJW-KRWDZBQOSA-N 1 0 379.468 1.804 20 0 GDADRO Cc1cc(N2C[C@H](NC(=O)c3cccnn3)C(C)(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571159656 952721144 /nfs/dbraw/zinc/72/11/44/952721144.db2.gz VLULIJGZSACDHN-HNNXBMFYSA-N 1 0 379.428 1.005 20 0 GDADRO Cc1cc(N2CCC(C)(NC(=O)c3cncnc3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571160383 952726341 /nfs/dbraw/zinc/72/63/41/952726341.db2.gz ZVHANCMDSXRVGQ-UHFFFAOYSA-N 1 0 379.428 1.149 20 0 GDADRO O=C(c1cocn1)N1CCC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC[C@@H]21 ZINC001571162473 952743946 /nfs/dbraw/zinc/74/39/46/952743946.db2.gz VDWMZBRQFMITPE-DOMZBBRYSA-N 1 0 380.412 1.381 20 0 GDADRO CC(C)n1cnc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571166663 952764133 /nfs/dbraw/zinc/76/41/33/952764133.db2.gz OAEDYOBCHZTWGF-INIZCTEOSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571166725 952764823 /nfs/dbraw/zinc/76/48/23/952764823.db2.gz OZKSIADHMYPCDU-XJKSGUPXSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H](NC(=O)c1cn[nH]c1)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571166995 952768179 /nfs/dbraw/zinc/76/81/79/952768179.db2.gz RZPOUMOIHAQFJC-KBPBESRZSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@H]([NH2+]Cc1cccnc1)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571167217 952771611 /nfs/dbraw/zinc/77/16/11/952771611.db2.gz YSYRXJNSAKOJFW-CXAGYDPISA-N 1 0 380.456 1.763 20 0 GDADRO CCc1c(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cnn1C ZINC001571167181 952771860 /nfs/dbraw/zinc/77/18/60/952771860.db2.gz XPKJCHDOTWSLJW-OAHLLOKOSA-N 1 0 380.456 1.167 20 0 GDADRO CCn1nccc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169421 952773657 /nfs/dbraw/zinc/77/36/57/952773657.db2.gz CBLVVXYPMQFAIE-INIZCTEOSA-N 1 0 380.456 1.430 20 0 GDADRO Cc1cncn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169479 952773901 /nfs/dbraw/zinc/77/39/01/952773901.db2.gz DSHSWGUQCNKIMA-SUMWQHHRSA-N 1 0 380.456 1.008 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169501 952775137 /nfs/dbraw/zinc/77/51/37/952775137.db2.gz FBUJLKDGRYVQIJ-WFASDCNBSA-N 1 0 380.456 1.539 20 0 GDADRO CCn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571169634 952775968 /nfs/dbraw/zinc/77/59/68/952775968.db2.gz ITEUUMZLGQNSEO-CZIWCDLHSA-N 1 0 380.456 1.381 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571169566 952776026 /nfs/dbraw/zinc/77/60/26/952776026.db2.gz GVTDAGDFOSUTRQ-BLLLJJGKSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)c3ccc[nH]3)C(C)(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169605 952776348 /nfs/dbraw/zinc/77/63/48/952776348.db2.gz HSRWQHFIPUOYJY-INIZCTEOSA-N 1 0 380.456 1.933 20 0 GDADRO Cc1cnn(C)c1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169816 952779028 /nfs/dbraw/zinc/77/90/28/952779028.db2.gz OKCYXXCDSLGXNN-MRXNPFEDSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571169909 952780819 /nfs/dbraw/zinc/78/08/19/952780819.db2.gz QGTFAAUEEBZFNR-HOTGVXAUSA-N 1 0 380.456 1.587 20 0 GDADRO Cc1c[nH]nc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571170060 952782667 /nfs/dbraw/zinc/78/26/67/952782667.db2.gz RQBVLRVJWVOTDZ-GOEBONIOSA-N 1 0 380.456 1.587 20 0 GDADRO Cc1cc(N2CCN(C(=O)c3cccn3C(C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571170045 952783004 /nfs/dbraw/zinc/78/30/04/952783004.db2.gz REQOQMPFNHXTDR-UHFFFAOYSA-N 1 0 380.456 1.915 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001571170121 952783881 /nfs/dbraw/zinc/78/38/81/952783881.db2.gz SWWWOKMUUCBGRC-QGZVFWFLSA-N 1 0 380.456 1.255 20 0 GDADRO Cc1cc[nH]c1C(=O)N[C@H]1CC[C@H](C)N(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571170484 952786323 /nfs/dbraw/zinc/78/63/23/952786323.db2.gz VIJKHVDOTGRJTM-KBPBESRZSA-N 1 0 380.456 1.994 20 0 GDADRO O=C(Cc1ncc[nH]1)N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571171877 952797838 /nfs/dbraw/zinc/79/78/38/952797838.db2.gz HJFNSYTXSMKTOI-WKILWMFISA-N 1 0 380.456 1.350 20 0 GDADRO Cc1nn(C)c(C)c1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172250 952804546 /nfs/dbraw/zinc/80/45/46/952804546.db2.gz QSDBXMLUSLIKAX-INIZCTEOSA-N 1 0 380.456 1.221 20 0 GDADRO C[C@@]1(NC(=O)c2cccnc2)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571178237 952836940 /nfs/dbraw/zinc/83/69/40/952836940.db2.gz CDIVQVDZRRKQQD-LJQANCHMSA-N 1 0 381.415 1.795 20 0 GDADRO 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O=C(NC[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571179416 952853222 /nfs/dbraw/zinc/85/32/22/952853222.db2.gz DJOBVOWVPPGBSR-SRCQZFHVSA-N 1 0 381.440 1.026 20 0 GDADRO Cc1cc(NC[C@@H]2CN(C(=O)Cc3ccco3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571179884 952856445 /nfs/dbraw/zinc/85/64/45/952856445.db2.gz JIYNSOCAYOPLDC-TZMCWYRMSA-N 1 0 381.440 1.334 20 0 GDADRO Cc1nocc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001571181810 952866319 /nfs/dbraw/zinc/86/63/19/952866319.db2.gz YMNNRNKCHMYLEE-SJKOYZFVSA-N 1 0 381.440 1.804 20 0 GDADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(-c3cccc(-c4nn[nH]n4)c3)no2)C1(C)C ZINC001571182662 952867864 /nfs/dbraw/zinc/86/78/64/952867864.db2.gz AWXUWPZGBBHOQO-HZPDHXFCSA-N 1 0 381.440 1.980 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cocn2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571182928 952870372 /nfs/dbraw/zinc/87/03/72/952870372.db2.gz JYOXYUMTSYYVKE-GDBMZVCRSA-N 1 0 381.440 1.885 20 0 GDADRO CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)CCc2ccoc2)CC1 ZINC001571182992 952872101 /nfs/dbraw/zinc/87/21/01/952872101.db2.gz LPCIGZULKWMZDL-UHFFFAOYSA-N 1 0 381.440 1.915 20 0 GDADRO COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1C ZINC001571183114 952873523 /nfs/dbraw/zinc/87/35/23/952873523.db2.gz OYGVHEOHLDVXFT-CQSZACIVSA-N 1 0 381.440 1.516 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001571183511 952879057 /nfs/dbraw/zinc/87/90/57/952879057.db2.gz CIUDJKRWBXNRMB-GFCCVEGCSA-N 1 0 381.444 1.015 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CCC(C)(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571187642 952908901 /nfs/dbraw/zinc/90/89/01/952908901.db2.gz AEGNRWMGXOLSAX-UHFFFAOYSA-N 1 0 381.444 1.130 20 0 GDADRO Cc1cc(N2C[C@@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C(C)(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571190107 952939750 /nfs/dbraw/zinc/93/97/50/952939750.db2.gz FMOQDKWLHNFMEC-GFOFROLCSA-N 1 0 381.484 1.947 20 0 GDADRO C[C@H]1C[C@@H]1C(=O)N1CCC([C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001571191200 952945598 /nfs/dbraw/zinc/94/55/98/952945598.db2.gz OFFOOGUBLRUBOX-IMJJTQAJSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)CC[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571195131 952973545 /nfs/dbraw/zinc/97/35/45/952973545.db2.gz XUAWHLURAYZTLU-QMTHXVAHSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571196464 952981703 /nfs/dbraw/zinc/98/17/03/952981703.db2.gz KXEIJMGROBIRJR-BDJLRTHQSA-N 1 0 382.403 1.046 20 0 GDADRO CCc1nc(C(=O)N2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@@H]2C)co1 ZINC001571199635 953003415 /nfs/dbraw/zinc/00/34/15/953003415.db2.gz XBZYULMMIXJWHB-RYUDHWBXSA-N 1 0 382.428 1.258 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)c2cc(C)co2)C1 ZINC001571200310 953008379 /nfs/dbraw/zinc/00/83/79/953008379.db2.gz HLFFCCVKNAZUPB-HNNXBMFYSA-N 1 0 382.424 1.781 20 0 GDADRO Cc1cc(NC[C@@H]2C[C@H](C)CCN2C(=O)c2cocn2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571200594 953010883 /nfs/dbraw/zinc/01/08/83/953010883.db2.gz FJTSROYHJLWAFZ-YPMHNXCESA-N 1 0 382.428 1.333 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C)on1 ZINC001571201063 953014163 /nfs/dbraw/zinc/01/41/63/953014163.db2.gz JDJSPMCTNQCHNZ-ZWNOBZJWSA-N 1 0 382.428 1.369 20 0 GDADRO CCCc1cc(C(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001571201434 953017376 /nfs/dbraw/zinc/01/73/76/953017376.db2.gz PXZJEIHNOTZGDL-HAQNSBGRSA-N 1 0 382.428 1.245 20 0 GDADRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001571201987 953021544 /nfs/dbraw/zinc/02/15/44/953021544.db2.gz UGTYYNQOGQFLFJ-JTNHKYCSSA-N 1 0 382.428 1.391 20 0 GDADRO Cc1ncoc1C(=O)N[C@@H]1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202666 953027547 /nfs/dbraw/zinc/02/75/47/953027547.db2.gz XCFFUGJBTQGOAJ-QWHCGFSZSA-N 1 0 382.428 1.299 20 0 GDADRO 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CCc1ncsc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571233784 953196150 /nfs/dbraw/zinc/19/61/50/953196150.db2.gz DBEPVAOZDQEECE-CYBMUJFWSA-N 1 0 383.481 1.890 20 0 GDADRO Cc1ccncc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571233960 953197426 /nfs/dbraw/zinc/19/74/26/953197426.db2.gz JDNZSXUEMZAJKW-CQSZACIVSA-N 1 0 383.481 1.565 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)Cc3cccs3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233929 953197609 /nfs/dbraw/zinc/19/76/09/953197609.db2.gz IGRMRABGXBVQEG-BZNIZROVSA-N 1 0 383.481 1.555 20 0 GDADRO CN(C(=O)Cc1ccco1)[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571238955 953235138 /nfs/dbraw/zinc/23/51/38/953235138.db2.gz DBSYKXROCOETMB-AWEZNQCLSA-N 1 0 384.415 1.874 20 0 GDADRO Cc1c[nH]c(C(=O)N2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)[C@@H](C)C2)n1 ZINC001571239231 953237085 /nfs/dbraw/zinc/23/70/85/953237085.db2.gz ICJNQDZGDRVAQP-BONVTDFDSA-N 1 0 384.419 1.288 20 0 GDADRO Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)n1 ZINC001571239694 953241836 /nfs/dbraw/zinc/24/18/36/953241836.db2.gz QDGZVSIGXUOMHN-ZDUSSCGKSA-N 1 0 384.419 1.289 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cn[nH]c1 ZINC001571241523 953247413 /nfs/dbraw/zinc/24/74/13/953247413.db2.gz BWHFZKQRKPJROA-WBMJQRKESA-N 1 0 384.419 1.417 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)[nH]1 ZINC001571241943 953251120 /nfs/dbraw/zinc/25/11/20/953251120.db2.gz QJLCOFCWCBVAHQ-AWEZNQCLSA-N 1 0 384.419 1.350 20 0 GDADRO O=C(Cc1cc[nH]n1)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571241969 953251330 /nfs/dbraw/zinc/25/13/30/953251330.db2.gz RJNUMDVPSUPUAS-OAHLLOKOSA-N 1 0 384.419 1.052 20 0 GDADRO CCc1nocc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571242879 953261225 /nfs/dbraw/zinc/26/12/25/953261225.db2.gz QFYYUUWMGZRDRZ-CQSZACIVSA-N 1 0 384.444 1.530 20 0 GDADRO O=C(COc1ccsc1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571244966 953269092 /nfs/dbraw/zinc/26/90/92/953269092.db2.gz BHLJRRNIBUIYKJ-OAHLLOKOSA-N 1 0 384.465 1.698 20 0 GDADRO CC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN(C(=O)c2ncccn2)CC1 ZINC001571245356 953273317 /nfs/dbraw/zinc/27/33/17/953273317.db2.gz GXMJPRNVGNFZQY-UHFFFAOYSA-N 1 0 384.469 1.503 20 0 GDADRO Cc1cc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)on1 ZINC001571247571 953283766 /nfs/dbraw/zinc/28/37/66/953283766.db2.gz ARCKENNLSBBFPD-BZNIZROVSA-N 1 0 384.444 1.522 20 0 GDADRO Cc1oncc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571248068 953289394 /nfs/dbraw/zinc/28/93/94/953289394.db2.gz DFYXAVBRUNFZJQ-MEDUHNTESA-N 1 0 384.444 1.664 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571248327 953292730 /nfs/dbraw/zinc/29/27/30/953292730.db2.gz QKCITCAMWAYHJM-ZWKOTPCHSA-N 1 0 384.484 1.887 20 0 GDADRO C[C@H]1COCC[C@H]1C(=O)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571248503 953294529 /nfs/dbraw/zinc/29/45/29/953294529.db2.gz WAFKRIPYJOOEIM-MAUKXSAKSA-N 1 0 384.484 1.574 20 0 GDADRO Cc1conc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571248834 953298277 /nfs/dbraw/zinc/29/82/77/953298277.db2.gz JUCDUKNMBQEVSD-TZMCWYRMSA-N 1 0 384.444 1.570 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001571249385 953304554 /nfs/dbraw/zinc/30/45/54/953304554.db2.gz IBAMMBSCZPHDFT-ZBFHGGJFSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001571249691 953306866 /nfs/dbraw/zinc/30/68/66/953306866.db2.gz KKOAPELIFCZAFE-KBPBESRZSA-N 1 0 384.488 1.395 20 0 GDADRO O=C(CC[C@@H]1CCOC1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571250216 953309309 /nfs/dbraw/zinc/30/93/09/953309309.db2.gz OLCBSZRSDIWJPA-WBVHZDCISA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)(C(=O)N1CCC[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCC1 ZINC001571250515 953311596 /nfs/dbraw/zinc/31/15/96/953311596.db2.gz QKIAKFJGWPSBOR-HNNXBMFYSA-N 1 0 384.488 1.539 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571251387 953316748 /nfs/dbraw/zinc/31/67/48/953316748.db2.gz WWMZVLSBJSRVMO-WMLDXEAASA-N 1 0 384.488 1.221 20 0 GDADRO C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001571251393 953316969 /nfs/dbraw/zinc/31/69/69/953316969.db2.gz XAHXLNPYCDNJNX-CZUORRHYSA-N 1 0 384.488 1.395 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)c(C)o1 ZINC001571251332 953316997 /nfs/dbraw/zinc/31/69/97/953316997.db2.gz UDWDYEGFQCJXON-ZWNOBZJWSA-N 1 0 384.444 1.440 20 0 GDADRO CN(CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ncccc1-c1nn[nH]n1 ZINC001571252022 953322380 /nfs/dbraw/zinc/32/23/80/953322380.db2.gz FOMFUMLBADVIMP-INIZCTEOSA-N 1 0 384.488 1.031 20 0 GDADRO Cc1nc(NCC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571252025 953323417 /nfs/dbraw/zinc/32/34/17/953323417.db2.gz FRERRENWWCHECG-GOEBONIOSA-N 1 0 384.488 1.315 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C)c(C)o1 ZINC001571252236 953325085 /nfs/dbraw/zinc/32/50/85/953325085.db2.gz ZJSWABYUZCBPFD-HZMBPMFUSA-N 1 0 384.444 1.440 20 0 GDADRO Cc1nc(NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)ccc1-c1nn[nH]n1 ZINC001571252251 953325308 /nfs/dbraw/zinc/32/53/08/953325308.db2.gz IWOWHYKSHFVJBJ-ZBFHGGJFSA-N 1 0 384.488 1.457 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CCNc3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571252490 953329044 /nfs/dbraw/zinc/32/90/44/953329044.db2.gz NUOJCSJPWMBZRO-HUUCEWRRSA-N 1 0 384.488 1.254 20 0 GDADRO Cc1nc(N[C@H](C)[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)ccc1-c1nn[nH]n1 ZINC001571252512 953330200 /nfs/dbraw/zinc/33/02/00/953330200.db2.gz OBXOEEAHFXASRM-UKRRQHHQSA-N 1 0 384.488 1.315 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001571252648 953330401 /nfs/dbraw/zinc/33/04/01/953330401.db2.gz SKNLYFLTITYOER-OAHLLOKOSA-N 1 0 384.488 1.172 20 0 GDADRO C[N@H+](CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[nH]n2)cn1)C1CCC1 ZINC001571252607 953330593 /nfs/dbraw/zinc/33/05/93/953330593.db2.gz RFOUSEZEESVJKZ-INIZCTEOSA-N 1 0 384.488 1.539 20 0 GDADRO Cc1ncoc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571254221 953336936 /nfs/dbraw/zinc/33/69/36/953336936.db2.gz DTSPQQPIHOZOCK-VDISTLRHSA-N 1 0 385.403 1.600 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)no1 ZINC001571254520 953339673 /nfs/dbraw/zinc/33/96/73/953339673.db2.gz HAUYLIVUVWUDCN-LBPRGKRZSA-N 1 0 385.403 1.554 20 0 GDADRO Cc1nocc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571254814 953343311 /nfs/dbraw/zinc/34/33/11/953343311.db2.gz JXEJNXWGHLGPQZ-YEORSEQZSA-N 1 0 385.403 1.600 20 0 GDADRO CCN(C(=O)NC1CC[NH+](CC(=O)[O-])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000874418595 956207331 /nfs/dbraw/zinc/20/73/31/956207331.db2.gz FNPHHPFCTLCSGK-LJQANCHMSA-N 1 0 388.512 1.841 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001603142573 972234669 /nfs/dbraw/zinc/23/46/69/972234669.db2.gz QBWLPPNTUULWBE-INIZCTEOSA-N 1 0 378.517 1.696 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC001606236902 973508195 /nfs/dbraw/zinc/50/81/95/973508195.db2.gz RTIVMCGJOYXCGM-KRWDZBQOSA-N 1 0 395.450 1.809 20 0 GDADRO C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC001592267518 977514733 /nfs/dbraw/zinc/51/47/33/977514733.db2.gz DJOAPHMRXWSGHV-OAHLLOKOSA-N 1 0 376.501 1.718 20 0 GDADRO CC1(C)CN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC[NH2+]1 ZINC001593934774 996903281 /nfs/dbraw/zinc/90/32/81/996903281.db2.gz HVOIANQYVHCXJN-UHFFFAOYSA-N 1 0 375.473 1.109 20 0 GDADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](C)C[NH+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@H]1C1CC1 ZINC001598898918 997137601 /nfs/dbraw/zinc/13/76/01/997137601.db2.gz PVRPIGMPXJTHNJ-BHWRABCJSA-N 1 0 378.513 1.796 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001594439115 999619878 /nfs/dbraw/zinc/61/98/78/999619878.db2.gz MAVLPSCXPHJEHN-RHSMWYFYSA-N 1 0 375.473 1.013 20 0 GDADRO COc1cc(C[NH2+][C@H]2Cc3ccccc3[C@H]2O)cc(Cl)c1OCC(N)=O ZINC000172068933 1126076808 /nfs/dbraw/zinc/07/68/08/1126076808.db2.gz LMJYESFZDGKJEO-MAUKXSAKSA-N 1 0 376.840 1.961 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nnnn2-c2ccccc2)cc1OC ZINC000933442519 1126142136 /nfs/dbraw/zinc/14/21/36/1126142136.db2.gz IOFJAFQYUYARGB-HXUWFJFHSA-N 1 0 383.452 1.763 20 0 GDADRO COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)cc1OCC(N)=O ZINC001330636537 1126175354 /nfs/dbraw/zinc/17/53/54/1126175354.db2.gz DGGNQEHRWXUROB-HXUWFJFHSA-N 1 0 376.428 1.782 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000158334989 530532218 /nfs/dbraw/zinc/53/22/18/530532218.db2.gz SLELNUIMISEJMG-NSHDSACASA-N 1 0 381.420 1.951 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(N2CCCS2(=O)=O)c1 ZINC000160551858 530553216 /nfs/dbraw/zinc/55/32/16/530553216.db2.gz YLCGQRRYNCXFMZ-LLVKDONJSA-N 1 0 379.404 1.556 20 0 GDADRO NS(=O)(=O)c1ccc(OCC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161596814 530562454 /nfs/dbraw/zinc/56/24/54/530562454.db2.gz PIESNXKVKWOWJF-CQSZACIVSA-N 1 0 382.404 1.348 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000162849236 530571749 /nfs/dbraw/zinc/57/17/49/530571749.db2.gz ITRCDDFXRYRGSB-NSHDSACASA-N 1 0 382.258 1.679 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000163244881 530574781 /nfs/dbraw/zinc/57/47/81/530574781.db2.gz ARMYVZUBZLFILJ-NSHDSACASA-N 1 0 389.315 1.937 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)Cc2c(F)cccc2F)CC1 ZINC000163384139 530575694 /nfs/dbraw/zinc/57/56/94/530575694.db2.gz DQNVCBROHNUGJL-CYBMUJFWSA-N 1 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COC[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)C1CC1 ZINC000181567050 530786509 /nfs/dbraw/zinc/78/65/09/530786509.db2.gz RBHRGMXWZFUTPB-AWEZNQCLSA-N 1 0 384.274 1.518 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000069527821 530797572 /nfs/dbraw/zinc/79/75/72/530797572.db2.gz ILTUPOXCHMVSEA-ZDUSSCGKSA-N 1 0 388.295 1.950 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cnc1Br ZINC000182796586 530804848 /nfs/dbraw/zinc/80/48/48/530804848.db2.gz RSVZBGAWNNZSGU-ZDUSSCGKSA-N 1 0 379.258 1.564 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181681937 530788942 /nfs/dbraw/zinc/78/89/42/530788942.db2.gz WUVIMWGEBHXJJU-NEPJUHHUSA-N 1 0 378.491 1.161 20 0 GDADRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(S(N)(=O)=O)c1 ZINC000181722558 530790099 /nfs/dbraw/zinc/79/00/99/530790099.db2.gz KOOVYVSBWZPSOU-QWHCGFSZSA-N 1 0 379.404 1.538 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000068799708 530790716 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C[S@](=O)C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000183166507 530810755 /nfs/dbraw/zinc/81/07/55/530810755.db2.gz KNGASNHHFQGPBW-OSPHWJPCSA-N 1 0 382.507 1.422 20 0 GDADRO CCn1c2ccc(Br)cc2nc1NC(=O)CN1CC[NH+](CC)CC1 ZINC000092107880 530811693 /nfs/dbraw/zinc/81/16/93/530811693.db2.gz DJBQPSQTBGWTMR-UHFFFAOYSA-N 1 0 394.317 2.395 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)s1 ZINC000183363806 530814008 /nfs/dbraw/zinc/81/40/08/530814008.db2.gz SPIXNXGYOHMDTQ-OLZOCXBDSA-N 1 0 380.557 1.280 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185096790 530836513 /nfs/dbraw/zinc/83/65/13/530836513.db2.gz UHIALJFBEVCCCM-UHFFFAOYSA-N 1 0 388.555 1.799 20 0 GDADRO O=C(NCCC[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)C(F)(F)F ZINC000183741677 530819880 /nfs/dbraw/zinc/81/98/80/530819880.db2.gz NZAZVDUPGLMHSN-CYBMUJFWSA-N 1 0 385.452 1.381 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000098035892 530822336 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C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000186723190 530860855 /nfs/dbraw/zinc/86/08/55/530860855.db2.gz IZMXQAKBTBLROA-LALPHHSUSA-N 1 0 380.286 1.916 20 0 GDADRO COc1cc(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc(Br)c1O ZINC000109040778 530861091 /nfs/dbraw/zinc/86/10/91/530861091.db2.gz PKEBJQAGLRTTKJ-UHFFFAOYSA-N 1 0 381.292 1.581 20 0 GDADRO C[NH+]1CCC(NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000186983469 530865616 /nfs/dbraw/zinc/86/56/16/530865616.db2.gz XCLURZXLGVHDFN-UHFFFAOYSA-N 1 0 378.424 1.483 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)c1cccs1 ZINC000110078115 530866163 /nfs/dbraw/zinc/86/61/63/530866163.db2.gz GCXWUAJIOTVIEE-ZDUSSCGKSA-N 1 0 386.474 1.959 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 ZINC000110650462 530868453 /nfs/dbraw/zinc/86/84/53/530868453.db2.gz WPSBUSHPJHFFCE-LBPRGKRZSA-N 1 0 396.285 1.633 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000187246040 530869301 /nfs/dbraw/zinc/86/93/01/530869301.db2.gz VEZBHMDEJKNUAE-HNNXBMFYSA-N 1 0 390.253 1.264 20 0 GDADRO O=C(c1cc(I)c[nH]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000115320947 530898028 /nfs/dbraw/zinc/89/80/28/530898028.db2.gz PZZAVGUBAHWMKO-UHFFFAOYSA-N 1 0 382.205 1.977 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000115433540 530899461 /nfs/dbraw/zinc/89/94/61/530899461.db2.gz CHVDQNYHXVSXFD-LBPRGKRZSA-N 1 0 393.962 1.822 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccccc1Cl ZINC000115871323 530901873 /nfs/dbraw/zinc/90/18/73/530901873.db2.gz FPALMIMVURADQT-DOMZBBRYSA-N 1 0 375.922 1.777 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)ccc1Br ZINC000116900821 530909968 /nfs/dbraw/zinc/90/99/68/530909968.db2.gz XFOVUIGVCKVEMW-LBPRGKRZSA-N 1 0 377.304 1.709 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000112917919 530885298 /nfs/dbraw/zinc/88/52/98/530885298.db2.gz JSDPVOBTKDEGQL-UHFFFAOYSA-N 1 0 375.441 1.050 20 0 GDADRO C[NH+](C)CCN(C(=O)CSc1nnnn1CC(F)(F)F)C1CCCC1 ZINC000112916038 530885638 /nfs/dbraw/zinc/88/56/38/530885638.db2.gz JQILFCBYMSBGFP-UHFFFAOYSA-N 1 0 380.440 1.660 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1nc2ncc(Br)cn2n1 ZINC000113197735 530886889 /nfs/dbraw/zinc/88/68/89/530886889.db2.gz DFBKBUIJVSXSHO-LBPRGKRZSA-N 1 0 381.278 1.881 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188186769 530888010 /nfs/dbraw/zinc/88/80/10/530888010.db2.gz YZVWUJOZXFKRDB-ZDUSSCGKSA-N 1 0 398.301 1.955 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000188206267 530888502 /nfs/dbraw/zinc/88/85/02/530888502.db2.gz USQVYIDMAJMJEK-UHFFFAOYSA-N 1 0 376.320 1.283 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 ZINC000113454294 530889947 /nfs/dbraw/zinc/88/99/47/530889947.db2.gz GQQGKHNTVPBADD-CQSZACIVSA-N 1 0 385.555 1.485 20 0 GDADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000114162679 530892397 /nfs/dbraw/zinc/89/23/97/530892397.db2.gz DKURMDDLAXKEEZ-DZKIICNBSA-N 1 0 387.571 1.965 20 0 GDADRO C[C@H](CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000114140995 530892760 /nfs/dbraw/zinc/89/27/60/530892760.db2.gz QUHOBYORERNHJG-CQSZACIVSA-N 1 0 387.933 1.113 20 0 GDADRO C[NH+](C)C1(CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000113991546 530892886 /nfs/dbraw/zinc/89/28/86/530892886.db2.gz HFRAIUKQMBKMOW-UHFFFAOYSA-N 1 0 388.295 1.950 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cs1 ZINC000114694373 530896354 /nfs/dbraw/zinc/89/63/54/530896354.db2.gz SEKLQJGLLQABEP-OAHLLOKOSA-N 1 0 379.507 1.790 20 0 GDADRO CCOc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCC(=O)N(C)C ZINC000119651239 530929120 /nfs/dbraw/zinc/92/91/20/530929120.db2.gz PZWUYMUGRFVARH-LLVKDONJSA-N 1 0 389.290 1.785 20 0 GDADRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000119695144 530929739 /nfs/dbraw/zinc/92/97/39/530929739.db2.gz MQBOANMGIKBAIE-CYBMUJFWSA-N 1 0 382.507 1.631 20 0 GDADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)nc1 ZINC000119872158 530932083 /nfs/dbraw/zinc/93/20/83/530932083.db2.gz RQFNXZHAWWLDNO-MRXNPFEDSA-N 1 0 390.281 1.993 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCC[N@@H+]1CCCOCC1 ZINC000189363590 530912275 /nfs/dbraw/zinc/91/22/75/530912275.db2.gz JJXYQHUOOXYRPL-UHFFFAOYSA-N 1 0 376.425 1.064 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000118896798 530919502 /nfs/dbraw/zinc/91/95/02/530919502.db2.gz NYLMFZULEFSDST-RUZDIDTESA-N 1 0 387.933 1.861 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000118897263 530919545 /nfs/dbraw/zinc/91/95/45/530919545.db2.gz DHPVIQNIXPQJTK-UHFFFAOYSA-N 1 0 398.301 1.659 20 0 GDADRO COc1cc(C[NH2+]CCc2nnc[nH]2)cc(I)c1OC ZINC000119001077 530920608 /nfs/dbraw/zinc/92/06/08/530920608.db2.gz FYNWBRDFXDKAOZ-UHFFFAOYSA-N 1 0 388.209 1.759 20 0 GDADRO Cc1c(I)cccc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000119048111 530921848 /nfs/dbraw/zinc/92/18/48/530921848.db2.gz ZFDMWIFSYXIZMN-UHFFFAOYSA-N 1 0 387.265 1.577 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2c(F)cccc2I)CC1 ZINC000119046621 530921930 /nfs/dbraw/zinc/92/19/30/530921930.db2.gz LGBXARYGNFALJB-UHFFFAOYSA-N 1 0 391.228 1.408 20 0 GDADRO C[C@@H]1CN([C@H](C(N)=O)c2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000189893474 530922715 /nfs/dbraw/zinc/92/27/15/530922715.db2.gz GFLXCBIQWLOSNC-DOMZBBRYSA-N 1 0 384.318 1.753 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c(Br)o1 ZINC000119315563 530924766 /nfs/dbraw/zinc/92/47/66/530924766.db2.gz YVQGUQYQRRKLAS-QMMMGPOBSA-N 1 0 395.275 1.590 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cc(Br)c(OC)s2)C1 ZINC000190292878 530928107 /nfs/dbraw/zinc/92/81/07/530928107.db2.gz ROXKDKMSZUUBEU-UHFFFAOYSA-N 1 0 383.333 1.890 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000119638513 530928661 /nfs/dbraw/zinc/92/86/61/530928661.db2.gz CXWCTNCCKVPGCA-UHFFFAOYSA-N 1 0 376.226 1.221 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000191989712 530957918 /nfs/dbraw/zinc/95/79/18/530957918.db2.gz LPEHVEMVSQIQCS-GHMZBOCLSA-N 1 0 394.324 1.810 20 0 GDADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cc(Br)nn2C)C[C@@H](C)O1 ZINC000191963182 530958352 /nfs/dbraw/zinc/95/83/52/530958352.db2.gz BHZZLJGYLFWGEC-UPJWGTAASA-N 1 0 385.306 1.896 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000192062610 530960846 /nfs/dbraw/zinc/96/08/46/530960846.db2.gz KPEZZLSLEALJIA-HZPDHXFCSA-N 1 0 384.889 1.472 20 0 GDADRO O=C(NC[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000121925957 530964532 /nfs/dbraw/zinc/96/45/32/530964532.db2.gz IIPQWZARCLGHQX-CJNGLKHVSA-N 1 0 385.917 1.609 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000190736597 530936435 /nfs/dbraw/zinc/93/64/35/530936435.db2.gz WJPLPYWQPCKBLR-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)s1 ZINC000120259174 530937424 /nfs/dbraw/zinc/93/74/24/530937424.db2.gz FOHPFUYSENRAHI-STQMWFEESA-N 1 0 388.559 1.576 20 0 GDADRO Cn1cc(Cl)cc1C[N@H+](C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000120294433 530938500 /nfs/dbraw/zinc/93/85/00/530938500.db2.gz QDPNIENVZKFTIC-UHFFFAOYSA-N 1 0 384.889 1.787 20 0 GDADRO C[C@@H](O)C[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@@H](C)CO ZINC000190929429 530940148 /nfs/dbraw/zinc/94/01/48/530940148.db2.gz XHJVLQRARGKUPY-WDEREUQCSA-N 1 0 379.320 1.533 20 0 GDADRO C[C@H](CNC(=O)c1cncc(I)c1)N1CC[NH+](C)CC1 ZINC000121092054 530949792 /nfs/dbraw/zinc/94/97/92/530949792.db2.gz YUINWPITIHJBBB-LLVKDONJSA-N 1 0 388.253 1.052 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCCC[NH+](C)C ZINC000121158171 530951270 /nfs/dbraw/zinc/95/12/70/530951270.db2.gz SHTUNFUSPBOYFU-NSHDSACASA-N 1 0 381.420 1.440 20 0 GDADRO COc1ccsc1S(=O)(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000121352529 530955067 /nfs/dbraw/zinc/95/50/67/530955067.db2.gz AMLZXAZUOYEDSQ-CABCVRRESA-N 1 0 382.507 1.670 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000122563540 530973265 /nfs/dbraw/zinc/97/32/65/530973265.db2.gz FQVCDEFRTNLMLM-GFCCVEGCSA-N 1 0 381.420 1.499 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(F)cc1Br)N1CC[NH+](C)CC1 ZINC000122560586 530973451 /nfs/dbraw/zinc/97/34/51/530973451.db2.gz XHWLHZJWTXTHCT-LLVKDONJSA-N 1 0 394.310 1.502 20 0 GDADRO Cc1c(C(=O)NC2(C)CC[NH2+]CC2)cc(Br)cc1S(N)(=O)=O ZINC000193377111 530985270 /nfs/dbraw/zinc/98/52/70/530985270.db2.gz WMVNZFFINURXPG-UHFFFAOYSA-N 1 0 390.303 1.277 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)s1 ZINC000122954123 530977945 /nfs/dbraw/zinc/97/79/45/530977945.db2.gz GNPQBNXMXZJQHR-UHFFFAOYSA-N 1 0 382.511 1.237 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122953934 530978006 /nfs/dbraw/zinc/97/80/06/530978006.db2.gz ZEBPUZAKEIYFNM-QMMMGPOBSA-N 1 0 376.201 1.876 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)s1 ZINC000193060930 530978997 /nfs/dbraw/zinc/97/89/97/530978997.db2.gz JNMVMXLXGKXBHW-UHFFFAOYSA-N 1 0 386.543 1.426 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)CC(C)C ZINC000122346212 530969623 /nfs/dbraw/zinc/96/96/23/530969623.db2.gz WBGLDGYDVUSACG-HZPDHXFCSA-N 1 0 376.567 1.324 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)CC(C)C ZINC000122345795 530969998 /nfs/dbraw/zinc/96/99/98/530969998.db2.gz WBGLDGYDVUSACG-JKSUJKDBSA-N 1 0 376.567 1.324 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000193650292 530990921 /nfs/dbraw/zinc/99/09/21/530990921.db2.gz HKDFKLXRUVOAGM-CMPLNLGQSA-N 1 0 382.258 1.431 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)COc1cccc(Br)c1 ZINC000193669380 530991742 /nfs/dbraw/zinc/99/17/42/530991742.db2.gz MFWGOULJGPZOEW-AWEZNQCLSA-N 1 0 398.301 1.674 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc(Br)ccc1O ZINC000193675842 530991759 /nfs/dbraw/zinc/99/17/59/530991759.db2.gz UVBRONVVMMAGJF-GFCCVEGCSA-N 1 0 384.274 1.614 20 0 GDADRO Cc1nc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1Br ZINC000193523376 530988470 /nfs/dbraw/zinc/98/84/70/530988470.db2.gz CWTXVGBUQMBBPE-ONGXEEELSA-N 1 0 381.274 1.832 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000125411475 531005742 /nfs/dbraw/zinc/00/57/42/531005742.db2.gz GAYJCCKMQGRXLK-LLVKDONJSA-N 1 0 390.278 1.245 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000194733208 531009336 /nfs/dbraw/zinc/00/93/36/531009336.db2.gz UHFKRBZREVMIGN-HNNXBMFYSA-N 1 0 385.555 1.890 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)NCCCC[NH3+])cc1Br ZINC000194741855 531009358 /nfs/dbraw/zinc/00/93/58/531009358.db2.gz UFBMEUALFPIDFK-UHFFFAOYSA-N 1 0 378.292 1.733 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000125768353 531010311 /nfs/dbraw/zinc/01/03/11/531010311.db2.gz VESKWFCYBAHDAC-NSHDSACASA-N 1 0 391.896 1.977 20 0 GDADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000125895836 531011416 /nfs/dbraw/zinc/01/14/16/531011416.db2.gz KWVRPBPBTFKTCK-INIZCTEOSA-N 1 0 375.579 1.921 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000194924250 531011963 /nfs/dbraw/zinc/01/19/63/531011963.db2.gz MCELNPMXOJXQBB-PHIMTYICSA-N 1 0 384.249 1.855 20 0 GDADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000126134925 531014503 /nfs/dbraw/zinc/01/45/03/531014503.db2.gz YAJBFZBRWLOIBX-UHFFFAOYSA-N 1 0 378.292 1.363 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000195252311 531019409 /nfs/dbraw/zinc/01/94/09/531019409.db2.gz TUOJQZJTDHUIQN-BETUJISGSA-N 1 0 385.917 1.708 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000126782392 531022836 /nfs/dbraw/zinc/02/28/36/531022836.db2.gz WYQSXXXGAGLGJG-HNNXBMFYSA-N 1 0 380.286 1.779 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000127253267 531027905 /nfs/dbraw/zinc/02/79/05/531027905.db2.gz JULPDMOILWJENK-LLVKDONJSA-N 1 0 379.935 1.670 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000127490794 531030403 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O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000236714035 531038979 /nfs/dbraw/zinc/03/89/79/531038979.db2.gz FSUSNTHXALXTBO-CQSZACIVSA-N 1 0 383.290 1.261 20 0 GDADRO O=C(CCN1C(=O)COc2cc(Br)ccc21)N1CCC[NH2+]CC1 ZINC000236756069 531039431 /nfs/dbraw/zinc/03/94/31/531039431.db2.gz QBSPVQLEGNMYGJ-UHFFFAOYSA-N 1 0 382.258 1.387 20 0 GDADRO O=C(CCN1C(=O)COc2cc(Br)ccc21)NCC[NH2+]C1CC1 ZINC000236756289 531039644 /nfs/dbraw/zinc/03/96/44/531039644.db2.gz BAENVHAVYILQGO-UHFFFAOYSA-N 1 0 382.258 1.433 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)NCC(C)(C)[NH3+])cc1Br ZINC000236738346 531040023 /nfs/dbraw/zinc/04/00/23/531040023.db2.gz RWJOOOLEHDRORM-UHFFFAOYSA-N 1 0 378.292 1.732 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000236837417 531040570 /nfs/dbraw/zinc/04/05/70/531040570.db2.gz IVRJYNJEKSKEOA-OAHLLOKOSA-N 1 0 385.555 1.749 20 0 GDADRO CCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000236810240 531040656 /nfs/dbraw/zinc/04/06/56/531040656.db2.gz 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1.503 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000134099395 531097030 /nfs/dbraw/zinc/09/70/30/531097030.db2.gz KLLQLSFFAGRHGH-LLVKDONJSA-N 1 0 394.324 1.872 20 0 GDADRO [NH3+]C1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CCOCC1 ZINC000261750785 531097764 /nfs/dbraw/zinc/09/77/64/531097764.db2.gz FFIGUFXGKMKTKG-UHFFFAOYSA-N 1 0 386.279 1.786 20 0 GDADRO O=S(=O)(NCCN1CC[NH2+]CC1)c1c(Cl)cccc1Br ZINC000261805209 531099466 /nfs/dbraw/zinc/09/94/66/531099466.db2.gz RTPMHDJQOSKNAC-UHFFFAOYSA-N 1 0 382.711 1.286 20 0 GDADRO C[C@@]([NH3+])(C(=O)NCCn1cnnc1C1CC1)c1ccc(Br)cc1 ZINC000261805873 531099520 /nfs/dbraw/zinc/09/95/20/531099520.db2.gz RHGNGKRKRXWTEN-INIZCTEOSA-N 1 0 378.274 1.908 20 0 GDADRO CC[C@]1(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CCC[NH2+]1 ZINC000134385316 531100233 /nfs/dbraw/zinc/10/02/33/531100233.db2.gz VBAYNOWRSQCDQG-CQSZACIVSA-N 1 0 379.404 1.998 20 0 GDADRO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261845275 531100931 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GDADRO COCC1(CNS(=O)(=O)c2cccc(Br)c2F)CC[NH2+]CC1 ZINC000261959306 531103707 /nfs/dbraw/zinc/10/37/07/531103707.db2.gz HAWMVFZUHKQJHO-UHFFFAOYSA-N 1 0 395.294 1.883 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000262037774 531105512 /nfs/dbraw/zinc/10/55/12/531105512.db2.gz PXMJJGWHVSUCMQ-YVEFUNNKSA-N 1 0 380.286 1.999 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262035631 531105539 /nfs/dbraw/zinc/10/55/39/531105539.db2.gz FPDLRIPGMVZESH-SUMWQHHRSA-N 1 0 385.917 1.514 20 0 GDADRO COc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc(OC)c1Br ZINC000262028799 531105556 /nfs/dbraw/zinc/10/55/56/531105556.db2.gz JNSGLTLIFQRCIL-CYBMUJFWSA-N 1 0 398.301 1.586 20 0 GDADRO Cc1cc(Br)oc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262049398 531106220 /nfs/dbraw/zinc/10/62/20/531106220.db2.gz QVEKAKSMGTUCFG-SECBINFHSA-N 1 0 384.196 1.916 20 0 GDADRO CSc1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000262055817 531106494 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CS(=O)(=O)C1(C(=O)NCc2ccccc2OC(F)(F)F)CC[NH2+]CC1 ZINC000262300719 531115459 /nfs/dbraw/zinc/11/54/59/531115459.db2.gz ZYIUHUCKCUZCMY-UHFFFAOYSA-N 1 0 380.388 1.368 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000262311038 531116148 /nfs/dbraw/zinc/11/61/48/531116148.db2.gz PAMVXBAMOZRQHX-KRWDZBQOSA-N 1 0 380.491 1.255 20 0 GDADRO CSCC[C@H]([NH3+])C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000262313565 531116254 /nfs/dbraw/zinc/11/62/54/531116254.db2.gz ONNQUJXKNPXHMA-HNNXBMFYSA-N 1 0 385.555 1.558 20 0 GDADRO O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000262341068 531117301 /nfs/dbraw/zinc/11/73/01/531117301.db2.gz HVHPNCNFBQMWSN-HIFRSBDPSA-N 1 0 382.302 1.770 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)NC[C@H]([NH3+])C3CC3)CC2=O)ccc1Br ZINC000137465458 531117892 /nfs/dbraw/zinc/11/78/92/531117892.db2.gz KVKBRRKWJWOXBC-WFASDCNBSA-N 1 0 380.286 1.964 20 0 GDADRO COC[C@]1(CNS(=O)(=O)c2ccc(C)c(Br)c2)CCC[NH2+]1 ZINC000262364056 531117879 /nfs/dbraw/zinc/11/78/79/531117879.db2.gz VXABNISOLZRETD-CQSZACIVSA-N 1 0 377.304 1.804 20 0 GDADRO [NH3+][C@H](CNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)C1CC1 ZINC000137361756 531118345 /nfs/dbraw/zinc/11/83/45/531118345.db2.gz CXKXZAGCICKJIM-MRXNPFEDSA-N 1 0 379.507 1.694 20 0 GDADRO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262448158 531120679 /nfs/dbraw/zinc/12/06/79/531120679.db2.gz DPULVWKCCAIWQR-MJBXVCDLSA-N 1 0 379.473 1.288 20 0 GDADRO O=S(=O)(c1ccc(Br)cc1F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262544547 531123745 /nfs/dbraw/zinc/12/37/45/531123745.db2.gz RMHQBIAKMVTBAU-LBPRGKRZSA-N 1 0 392.294 1.256 20 0 GDADRO Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262569973 531124457 /nfs/dbraw/zinc/12/44/57/531124457.db2.gz XGWJZKXFENTTLH-AWEZNQCLSA-N 1 0 388.331 1.426 20 0 GDADRO C[NH2+]C[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000262626844 531125853 /nfs/dbraw/zinc/12/58/53/531125853.db2.gz LBESMAZVOOIPHL-NSHDSACASA-N 1 0 383.499 1.101 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000262697255 531126874 /nfs/dbraw/zinc/12/68/74/531126874.db2.gz ABXCXEXJNPCXFO-GXFFZTMASA-N 1 0 379.404 1.098 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000262736240 531128074 /nfs/dbraw/zinc/12/80/74/531128074.db2.gz CNYNHLQAYITPGP-IMJJTQAJSA-N 1 0 385.555 1.343 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000262750757 531128698 /nfs/dbraw/zinc/12/86/98/531128698.db2.gz MRQMXKWUCBQPSQ-IUODEOHRSA-N 1 0 386.543 1.094 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CN1c2ccc(Br)cc2OCC1=O ZINC000262748297 531128938 /nfs/dbraw/zinc/12/89/38/531128938.db2.gz LQMMENLAYFRMDF-DGCLKSJQSA-N 1 0 396.285 1.903 20 0 GDADRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc1S(=O)(=O)N1CCCCC1 ZINC000262772306 531130011 /nfs/dbraw/zinc/13/00/11/531130011.db2.gz VZRZWLYRMGQXOG-AWEZNQCLSA-N 1 0 389.543 1.137 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000262786483 531130606 /nfs/dbraw/zinc/13/06/06/531130606.db2.gz MOYRLZBMTKEBHZ-BYCMXARLSA-N 1 0 380.286 1.916 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000262780911 531130852 /nfs/dbraw/zinc/13/08/52/531130852.db2.gz MEOGDAKSDOKGGO-SMDDNHRTSA-N 1 0 393.285 1.663 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1F ZINC000262814170 531131718 /nfs/dbraw/zinc/13/17/18/531131718.db2.gz YYJAMHBQLFDAGV-XHDPSFHLSA-N 1 0 393.506 1.254 20 0 GDADRO CCC[NH2+]CCNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000262808366 531131879 /nfs/dbraw/zinc/13/18/79/531131879.db2.gz XKBVCSPFIKMMIN-UHFFFAOYSA-N 1 0 392.275 1.058 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)s2)CC1 ZINC000262899464 531133699 /nfs/dbraw/zinc/13/36/99/531133699.db2.gz XODXZBOQONOUBN-KBPBESRZSA-N 1 0 385.555 1.897 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CC[NH2+]1 ZINC000262920149 531134200 /nfs/dbraw/zinc/13/42/00/531134200.db2.gz RQXOHTBYYBMORD-WPRPVWTQSA-N 1 0 393.278 1.862 20 0 GDADRO COCC[NH2+]CCNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000152338649 531149601 /nfs/dbraw/zinc/14/96/01/531149601.db2.gz NAJGWJPVEKYQDJ-UHFFFAOYSA-N 1 0 382.262 1.304 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Br)c2c(c1)OCCO2)N1CC[NH+](C)CC1 ZINC000263715074 531151309 /nfs/dbraw/zinc/15/13/09/531151309.db2.gz DXJSNHMWKJIOPO-LBPRGKRZSA-N 1 0 398.301 1.586 20 0 GDADRO CCn1c(SCC(=O)NC[C@](C)(O)C[NH+](C)C)nnc1-c1cccs1 ZINC000152754883 531156980 /nfs/dbraw/zinc/15/69/80/531156980.db2.gz ULGIFJFXGVZNIV-INIZCTEOSA-N 1 0 383.543 1.547 20 0 GDADRO C[C@H](CNC(=O)COc1ccc(F)cc1Br)N1CC[NH+](C)CC1 ZINC000263794941 531155664 /nfs/dbraw/zinc/15/56/64/531155664.db2.gz RSCWCLRVBMEVIB-GFCCVEGCSA-N 1 0 388.281 1.719 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000152703362 531155940 /nfs/dbraw/zinc/15/59/40/531155940.db2.gz MNTOCKCFSXVWBY-HNNXBMFYSA-N 1 0 398.276 1.967 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(Cl)c(I)c1 ZINC000152900899 531158667 /nfs/dbraw/zinc/15/86/67/531158667.db2.gz PQGLPRADCNOIFY-ZDUSSCGKSA-N 1 0 396.656 1.987 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000263881296 531158988 /nfs/dbraw/zinc/15/89/88/531158988.db2.gz XBQYOQRHTRJXGN-CYBMUJFWSA-N 1 0 385.917 1.949 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000153058910 531161494 /nfs/dbraw/zinc/16/14/94/531161494.db2.gz QTSDPGYGUIZWLN-INIZCTEOSA-N 1 0 394.313 1.757 20 0 GDADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000153175581 531163944 /nfs/dbraw/zinc/16/39/44/531163944.db2.gz XVUJUFRIHQVZLD-HWPZZCPQSA-N 1 0 376.284 1.541 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000263996625 531164557 /nfs/dbraw/zinc/16/45/57/531164557.db2.gz FJHPOMMZJAGGPQ-LBPRGKRZSA-N 1 0 379.262 1.786 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000264084732 531167804 /nfs/dbraw/zinc/16/78/04/531167804.db2.gz DVJPNHNTSKCGMN-UHFFFAOYSA-N 1 0 389.905 1.678 20 0 GDADRO CC(C)C[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)NCC[NH+](C)C ZINC000153508835 531168946 /nfs/dbraw/zinc/16/89/46/531168946.db2.gz CRHLDKTVBHQSAO-AWEZNQCLSA-N 1 0 393.912 1.850 20 0 GDADRO CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000153668900 531170908 /nfs/dbraw/zinc/17/09/08/531170908.db2.gz HTAYWHAPHLASQJ-HNNXBMFYSA-N 1 0 376.567 1.418 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000264238247 531174969 /nfs/dbraw/zinc/17/49/69/531174969.db2.gz NUYXFZRPQRAUBN-QMMMGPOBSA-N 1 0 398.348 1.618 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000154288210 531180609 /nfs/dbraw/zinc/18/06/09/531180609.db2.gz DXKXAVUFKJCZPA-FZMZJTMJSA-N 1 0 389.315 1.702 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000264447000 531184936 /nfs/dbraw/zinc/18/49/36/531184936.db2.gz RVVIQXOJSFPVAZ-GFCCVEGCSA-N 1 0 384.311 1.936 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000154531289 531185546 /nfs/dbraw/zinc/18/55/46/531185546.db2.gz NXTLDTZWSFZSNU-AWEZNQCLSA-N 1 0 385.555 1.892 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000264487170 531187562 /nfs/dbraw/zinc/18/75/62/531187562.db2.gz IQIPQWSHMXAPMP-OAHLLOKOSA-N 1 0 398.301 1.406 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCc1ccccc1Br ZINC000264605129 531193103 /nfs/dbraw/zinc/19/31/03/531193103.db2.gz YJJDXFONCHSSBT-HNNXBMFYSA-N 1 0 382.302 1.838 20 0 GDADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264631027 531194584 /nfs/dbraw/zinc/19/45/84/531194584.db2.gz CTNPNMGSLOETOU-WCQYABFASA-N 1 0 388.281 1.718 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc(F)c1F ZINC000155015599 531193641 /nfs/dbraw/zinc/19/36/41/531193641.db2.gz CCMWYWXGZXTSEA-UHFFFAOYSA-N 1 0 376.425 1.762 20 0 GDADRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000155033146 531194289 /nfs/dbraw/zinc/19/42/89/531194289.db2.gz WQYSSHRDVJLXCS-RYUDHWBXSA-N 1 0 396.285 1.726 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(I)c(F)c1 ZINC000264673806 531196966 /nfs/dbraw/zinc/19/69/66/531196966.db2.gz BOQXRVZWKJDYEN-NSHDSACASA-N 1 0 391.228 1.406 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000264749157 531199795 /nfs/dbraw/zinc/19/97/95/531199795.db2.gz SJPSVNCABBWPAP-INIZCTEOSA-N 1 0 392.301 1.610 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000264758879 531199999 /nfs/dbraw/zinc/19/99/99/531199999.db2.gz TWMNZKNGKMAVJG-BBRMVZONSA-N 1 0 390.933 1.792 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000264807718 531201428 /nfs/dbraw/zinc/20/14/28/531201428.db2.gz XQPBNNAQJJKNJR-MRXNPFEDSA-N 1 0 392.301 1.610 20 0 GDADRO O=C(CCN1C(=S)N=NC1c1cccs1)NCC[NH+]1CCSCC1 ZINC000264847597 531202279 /nfs/dbraw/zinc/20/22/79/531202279.db2.gz KOXXAZOWOPSUJX-UHFFFAOYSA-N 1 0 383.568 1.850 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000264861275 531202620 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COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000290097048 531208996 /nfs/dbraw/zinc/20/89/96/531208996.db2.gz XJSACIUSGFABAI-GFCCVEGCSA-N 1 0 381.230 1.854 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCn1cc(Br)ccc1=O ZINC000519525573 531212558 /nfs/dbraw/zinc/21/25/58/531212558.db2.gz WPCKLDOAQCLKNP-BXUZGUMPSA-N 1 0 383.290 1.393 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)c1Br ZINC000519529799 531212728 /nfs/dbraw/zinc/21/27/28/531212728.db2.gz YBNSLCCPRHKSEH-JTQLQIEISA-N 1 0 398.257 1.372 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCn1cc(Br)ccc1=O ZINC000519525577 531213033 /nfs/dbraw/zinc/21/30/33/531213033.db2.gz WPCKLDOAQCLKNP-RISCZKNCSA-N 1 0 383.290 1.393 20 0 GDADRO C[N@H+](CCO)C1CCN(S(=O)(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000264940545 531213556 /nfs/dbraw/zinc/21/35/56/531213556.db2.gz IAXVDEKFQCNMIC-UHFFFAOYSA-N 1 0 380.432 1.924 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000519858337 531221567 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COc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)c(OC)cc1Br ZINC000276847457 531233627 /nfs/dbraw/zinc/23/36/27/531233627.db2.gz GVKQRIJUPBRHRO-JTQLQIEISA-N 1 0 393.303 1.839 20 0 GDADRO COCn1nc(C)c(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c1C ZINC000433866469 531235930 /nfs/dbraw/zinc/23/59/30/531235930.db2.gz VZZWCGBNCPFGMX-UHFFFAOYSA-N 1 0 386.543 1.918 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000521016360 531237779 /nfs/dbraw/zinc/23/77/79/531237779.db2.gz CKHXQMTWARQDHY-UHFFFAOYSA-N 1 0 375.292 1.516 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000276903896 531237810 /nfs/dbraw/zinc/23/78/10/531237810.db2.gz ICUOJEVXOCPVJA-JTQLQIEISA-N 1 0 390.303 1.311 20 0 GDADRO O=C(Cc1ccc(I)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000521042573 531238558 /nfs/dbraw/zinc/23/85/58/531238558.db2.gz KSJBGABXVMLOQK-LLVKDONJSA-N 1 0 380.176 1.947 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000265381720 531248621 /nfs/dbraw/zinc/24/86/21/531248621.db2.gz JFBUDSBPQNBYLD-NSHDSACASA-N 1 0 387.889 1.283 20 0 GDADRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000434880066 531252221 /nfs/dbraw/zinc/25/22/21/531252221.db2.gz ZMEXRTCVDMUVNH-MRXNPFEDSA-N 1 0 385.555 1.226 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)c1ccc(Br)cc1 ZINC000434707652 531247208 /nfs/dbraw/zinc/24/72/08/531247208.db2.gz ADMGYAMWKFLXDD-AWEZNQCLSA-N 1 0 396.285 1.478 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)C(C)(C)C ZINC000522617092 531256151 /nfs/dbraw/zinc/25/61/51/531256151.db2.gz NVVBHJQYUFOGIA-GJZGRUSLSA-N 1 0 376.567 1.466 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCn1cc(Br)cn1)CCC2 ZINC000290825182 531257820 /nfs/dbraw/zinc/25/78/20/531257820.db2.gz XFJIUFFPSYQKAN-HNNXBMFYSA-N 1 0 399.314 1.960 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435245805 531258748 /nfs/dbraw/zinc/25/87/48/531258748.db2.gz DQVSLPDGEBHXPC-KOLCDFICSA-N 1 0 386.315 1.982 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000277140380 531260452 /nfs/dbraw/zinc/26/04/52/531260452.db2.gz CUIMBNWDJMIHOH-JTQLQIEISA-N 1 0 377.247 1.433 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000290769540 531254671 /nfs/dbraw/zinc/25/46/71/531254671.db2.gz ITCPWYGFMWFKEK-AWEZNQCLSA-N 1 0 387.933 1.809 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)cn1 ZINC000473899872 531263239 /nfs/dbraw/zinc/26/32/39/531263239.db2.gz CSUDXVQFNABHAB-CYBMUJFWSA-N 1 0 384.889 1.907 20 0 GDADRO CCC(=O)N1CSC[C@H]1C(=O)N(Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435601037 531264162 /nfs/dbraw/zinc/26/41/62/531264162.db2.gz IOXMLICQUCLNIJ-KBPBESRZSA-N 1 0 382.555 1.701 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000473958875 531265410 /nfs/dbraw/zinc/26/54/10/531265410.db2.gz VJQWDWWYXJYDIO-CQSZACIVSA-N 1 0 389.543 1.138 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CC(=O)Nc1ccc(Br)cc1 ZINC000436061591 531275223 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C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)c1ccsc1 ZINC000410206967 531281702 /nfs/dbraw/zinc/28/17/02/531281702.db2.gz WKKAFCDKZNKKHM-BPLDGKMQSA-N 1 0 388.559 1.368 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410497719 531289033 /nfs/dbraw/zinc/28/90/33/531289033.db2.gz KTBWNVGIHOYBAK-GFCCVEGCSA-N 1 0 384.274 1.696 20 0 GDADRO CN(C)S(=O)(=O)n1ccnc1CN[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000291539857 531297419 /nfs/dbraw/zinc/29/74/19/531297419.db2.gz LFQHMSPMLMFPSZ-HNNXBMFYSA-N 1 0 385.921 1.584 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000277523366 531290727 /nfs/dbraw/zinc/29/07/27/531290727.db2.gz LDOBTVWAXBNVLD-GXSJLCMTSA-N 1 0 384.221 1.667 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000265843615 531292344 /nfs/dbraw/zinc/29/23/44/531292344.db2.gz DWRUSNOCPAFQAG-UHFFFAOYSA-N 1 0 378.441 1.310 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)c2cccn3c(I)cnc23)[C@@H]1C ZINC000277554909 531293110 /nfs/dbraw/zinc/29/31/10/531293110.db2.gz ZODCFSAEIUPOSN-NXEZZACHSA-N 1 0 384.221 1.761 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)CC2CCCC2)cc[nH+]1 ZINC000349525168 531294818 /nfs/dbraw/zinc/29/48/18/531294818.db2.gz QZWFRSOJFCLTNJ-UHFFFAOYSA-N 1 0 389.543 1.396 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000410815454 531294883 /nfs/dbraw/zinc/29/48/83/531294883.db2.gz CUMWYKJKRNFGCZ-GOEBONIOSA-N 1 0 394.313 1.878 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C(C)(C)C)cc[nH+]1 ZINC000349526954 531295521 /nfs/dbraw/zinc/29/55/21/531295521.db2.gz UTUXEMPKCNPYOJ-CQSZACIVSA-N 1 0 391.559 1.640 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1=O ZINC000437335259 531296882 /nfs/dbraw/zinc/29/68/82/531296882.db2.gz UXEASUXZJQEIDX-CWRNSKLLSA-N 1 0 394.313 1.831 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000277658110 531300773 /nfs/dbraw/zinc/30/07/73/531300773.db2.gz ZOXGFFYQLKVDQX-LLVKDONJSA-N 1 0 389.880 1.873 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cnc2Br)C1 ZINC000291586601 531300802 /nfs/dbraw/zinc/30/08/02/531300802.db2.gz YEXNRACYIPOZEA-GFCCVEGCSA-N 1 0 383.290 1.891 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(C)cc1F ZINC000291614322 531301197 /nfs/dbraw/zinc/30/11/97/531301197.db2.gz BFKUDZJLXLLSJK-KGLIPLIRSA-N 1 0 390.502 1.587 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1OC ZINC000291617378 531302384 /nfs/dbraw/zinc/30/23/84/531302384.db2.gz AANZFMVLRNCINS-JTQLQIEISA-N 1 0 395.319 1.942 20 0 GDADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000291635199 531303499 /nfs/dbraw/zinc/30/34/99/531303499.db2.gz SRGRGTZIFXVEPN-CYBMUJFWSA-N 1 0 377.495 1.962 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000291551441 531298298 /nfs/dbraw/zinc/29/82/98/531298298.db2.gz UJIQERXPKFYJFT-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000277633129 531299274 /nfs/dbraw/zinc/29/92/74/531299274.db2.gz DMVVYRIAYGXCNU-GFCCVEGCSA-N 1 0 376.450 1.247 20 0 GDADRO Cc1ccc(CC(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c(Cl)n1 ZINC000291835164 531316742 /nfs/dbraw/zinc/31/67/42/531316742.db2.gz FAABBEGVLRNNON-HNNXBMFYSA-N 1 0 387.933 1.553 20 0 GDADRO CCC(CC)(CNS(=O)(=O)CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1 ZINC000266176172 531320504 /nfs/dbraw/zinc/32/05/04/531320504.db2.gz OFIKRPXWQWDEOG-HNNXBMFYSA-N 1 0 390.571 1.860 20 0 GDADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000277911863 531319476 /nfs/dbraw/zinc/31/94/76/531319476.db2.gz GBWHMHRACUDMNS-LBPRGKRZSA-N 1 0 384.274 1.273 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000266102384 531311772 /nfs/dbraw/zinc/31/17/72/531311772.db2.gz DKODFSBGRGLDAH-AWEZNQCLSA-N 1 0 387.571 1.928 20 0 GDADRO COc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1SC ZINC000411283149 531313535 /nfs/dbraw/zinc/31/35/35/531313535.db2.gz YMJTYYSDYJZNTP-KRWDZBQOSA-N 1 0 383.539 1.909 20 0 GDADRO CSc1ccc(OC[C@@H](O)C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000411318742 531315690 /nfs/dbraw/zinc/31/56/90/531315690.db2.gz QRIKYTCAQOJBNX-HNNXBMFYSA-N 1 0 388.555 1.504 20 0 GDADRO CC(C)CC[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000411488571 531325292 /nfs/dbraw/zinc/32/52/92/531325292.db2.gz LGGNGTRIPPZTCN-KBPBESRZSA-N 1 0 375.535 1.440 20 0 GDADRO CC[NH+]1CCC(NC(=O)CN[C@H](CO)c2cccc(Br)c2)CC1 ZINC000411503942 531325944 /nfs/dbraw/zinc/32/59/44/531325944.db2.gz KZNFVQIRFOWCLY-MRXNPFEDSA-N 1 0 384.318 1.673 20 0 GDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000439360766 531321374 /nfs/dbraw/zinc/32/13/74/531321374.db2.gz QFUHQEQBTBSTNQ-LBPRGKRZSA-N 1 0 380.286 1.891 20 0 GDADRO CSc1cc(NC(=O)C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)ccc1Cl ZINC000411436453 531323817 /nfs/dbraw/zinc/32/38/17/531323817.db2.gz HHPCSVOHESWWDU-GFCCVEGCSA-N 1 0 385.917 1.916 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000440416334 531338340 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376.906 1.531 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2cccn3c(I)cnc23)CC[NH2+]1 ZINC000278317063 531351717 /nfs/dbraw/zinc/35/17/17/531351717.db2.gz UJVSVECXIRCNHZ-ZJUUUORDSA-N 1 0 384.221 1.809 20 0 GDADRO COc1cc(S(=O)(=O)NC2(C[NH3+])CCOCC2)ccc1Br ZINC000528056501 531341579 /nfs/dbraw/zinc/34/15/79/531341579.db2.gz NVPHWGHGDLJTOE-UHFFFAOYSA-N 1 0 379.276 1.244 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)c2cc(S(C)(=O)=O)ccc2Br)CC[NH2+]1 ZINC000278199625 531342890 /nfs/dbraw/zinc/34/28/90/531342890.db2.gz GHZZVEAPDGYBLL-NXEZZACHSA-N 1 0 375.288 1.723 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H](CO)c2c(Cl)cccc2Cl)CC1=O ZINC000478492669 531344340 /nfs/dbraw/zinc/34/43/40/531344340.db2.gz RMYHGKCNXOYNBO-BXUZGUMPSA-N 1 0 388.295 1.553 20 0 GDADRO CC[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)CC[N@@H+]1C[C@@H](C)O ZINC000266401587 531344925 /nfs/dbraw/zinc/34/49/25/531344925.db2.gz KKKZAVKCWBMUBP-PWSUYJOCSA-N 1 0 385.306 1.967 20 0 GDADRO CS(=O)(=O)C[C@H]1CCN(CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000292242912 531344935 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391.559 1.193 20 0 GDADRO C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000412043986 531357640 /nfs/dbraw/zinc/35/76/40/531357640.db2.gz OKCXXMZYOUODGD-HIFRSBDPSA-N 1 0 385.302 1.989 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c(I)cnn1C ZINC000292495934 531359673 /nfs/dbraw/zinc/35/96/73/531359673.db2.gz RQMREVDXGYHJSR-SNVBAGLBSA-N 1 0 378.258 1.875 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(I)cnn1C ZINC000292393447 531352229 /nfs/dbraw/zinc/35/22/29/531352229.db2.gz XNPMVKPQHUZFED-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000441805582 531364503 /nfs/dbraw/zinc/36/45/03/531364503.db2.gz QQAUNWGILNDXPZ-UHFFFAOYSA-N 1 0 381.495 1.207 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000441862149 531365456 /nfs/dbraw/zinc/36/54/56/531365456.db2.gz JRHFTXKUWXUQOG-UHFFFAOYSA-N 1 0 381.782 1.992 20 0 GDADRO CNc1cc(I)ccc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000412250830 531361146 /nfs/dbraw/zinc/36/11/46/531361146.db2.gz 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GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000447247921 531423201 /nfs/dbraw/zinc/42/32/01/531423201.db2.gz JIDDSHXRRYSKIL-KGLIPLIRSA-N 1 0 387.571 1.811 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)C[C@H]1[NH3+] ZINC000447257332 531423822 /nfs/dbraw/zinc/42/38/22/531423822.db2.gz PGQSKQRPRGNTKI-WCBMZHEXSA-N 1 0 377.260 1.188 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc(F)c1I ZINC000532750374 531424893 /nfs/dbraw/zinc/42/48/93/531424893.db2.gz JTTNTMFXKRUATB-JTQLQIEISA-N 1 0 391.228 1.406 20 0 GDADRO COC(=O)CN(C)C(=O)CC[N@H+](C)Cc1cc(Br)ccc1OC ZINC000533079694 531427398 /nfs/dbraw/zinc/42/73/98/531427398.db2.gz XKDSLXTXZUZHSV-UHFFFAOYSA-N 1 0 387.274 1.911 20 0 GDADRO COC(=O)c1ccc(Br)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000414120234 531431208 /nfs/dbraw/zinc/43/12/08/531431208.db2.gz BHUGZJIWWIUJIB-CYBMUJFWSA-N 1 0 387.274 1.223 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]C2CN(S(=O)(=O)c3ccc(OC)cc3)C2)[C@H]1SC ZINC000485249319 531431503 /nfs/dbraw/zinc/43/15/03/531431503.db2.gz VZCBISUTXZQFOL-GVDBMIGSSA-N 1 0 386.539 1.567 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000293556935 531428442 /nfs/dbraw/zinc/42/84/42/531428442.db2.gz ZMKXMUBBYVAASP-CYBMUJFWSA-N 1 0 384.322 1.425 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cnn(C)c1I ZINC000293572050 531429363 /nfs/dbraw/zinc/42/93/63/531429363.db2.gz HAVMZBHJCGFYAC-WDEREUQCSA-N 1 0 388.253 1.724 20 0 GDADRO Cc1nn(C)c(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1Br ZINC000447899341 531440579 /nfs/dbraw/zinc/44/05/79/531440579.db2.gz SKVVUCHCNOJXDV-QWRGUYRKSA-N 1 0 379.324 1.299 20 0 GDADRO Cn1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc(Br)c1=O ZINC000361255729 531447179 /nfs/dbraw/zinc/44/71/79/531447179.db2.gz UPVVVEPMEYQFEU-KBPBESRZSA-N 1 0 399.289 1.211 20 0 GDADRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414361615 531443171 /nfs/dbraw/zinc/44/31/71/531443171.db2.gz SYVVJFWMJUKNHA-KGLIPLIRSA-N 1 0 377.304 1.737 20 0 GDADRO CC(C)(C)C[C@H](CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414358994 531443640 /nfs/dbraw/zinc/44/36/40/531443640.db2.gz IRJDTJHALVYWFO-LLVKDONJSA-N 1 0 379.320 1.983 20 0 GDADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000447945654 531444237 /nfs/dbraw/zinc/44/42/37/531444237.db2.gz XKLCJUXUAYCZJR-MRXNPFEDSA-N 1 0 388.555 1.630 20 0 GDADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000486058593 531445317 /nfs/dbraw/zinc/44/53/17/531445317.db2.gz BEHOIAMWZUGIKP-VBNZEHGJSA-N 1 0 375.462 1.700 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)sc1S(N)(=O)=O ZINC000293990170 531456286 /nfs/dbraw/zinc/45/62/86/531456286.db2.gz WHVZDIFNEBFYDL-AWEZNQCLSA-N 1 0 377.919 1.525 20 0 GDADRO CC1(C)C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@H]1O ZINC000279705812 531450478 /nfs/dbraw/zinc/45/04/78/531450478.db2.gz HLLJSXJCRRQFOG-CQSZACIVSA-N 1 0 387.311 1.740 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2I)C1 ZINC000415313501 531473521 /nfs/dbraw/zinc/47/35/21/531473521.db2.gz DXIVNOWHUMALOD-VIFPVBQESA-N 1 0 391.184 1.189 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1c(F)cccc1I ZINC000449709487 531474531 /nfs/dbraw/zinc/47/45/31/531474531.db2.gz ZMHQNGBXJPQGMY-SECBINFHSA-N 1 0 378.185 1.539 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000415326376 531475337 /nfs/dbraw/zinc/47/53/37/531475337.db2.gz KGRKIIZFMDOHKY-UHFFFAOYSA-N 1 0 383.290 1.026 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000449726975 531475457 /nfs/dbraw/zinc/47/54/57/531475457.db2.gz YTMYEOJGVWSUOQ-ZDUSSCGKSA-N 1 0 381.420 1.725 20 0 GDADRO O=C(Nc1ccnn1Cc1ccccc1Br)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415330304 531475556 /nfs/dbraw/zinc/47/55/56/531475556.db2.gz KJKZLVWEFDNSFM-GFCCVEGCSA-N 1 0 392.257 1.111 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccccc1I ZINC000415329260 531475591 /nfs/dbraw/zinc/47/55/91/531475591.db2.gz KAFOXWNIKVMXMQ-JTQLQIEISA-N 1 0 387.221 1.346 20 0 GDADRO O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415326954 531475833 /nfs/dbraw/zinc/47/58/33/531475833.db2.gz GOWFMZIREVTNMT-GFCCVEGCSA-N 1 0 382.251 1.655 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000363220564 531476629 /nfs/dbraw/zinc/47/66/29/531476629.db2.gz DVNDIJTZPQTZMU-HNNXBMFYSA-N 1 0 396.333 1.494 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000267868953 531458200 /nfs/dbraw/zinc/45/82/00/531458200.db2.gz LDIMCDKOAAUPPF-LLVKDONJSA-N 1 0 394.515 1.178 20 0 GDADRO COC(=O)[C@@H]1CN(Cc2cccc(I)c2)CC[N@H+](C)C1 ZINC000414490839 531458388 /nfs/dbraw/zinc/45/83/88/531458388.db2.gz OYXFNBKLNMISPE-ZDUSSCGKSA-N 1 0 388.249 1.828 20 0 GDADRO COCC1(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC[NH2+]CC1 ZINC000279866431 531458606 /nfs/dbraw/zinc/45/86/06/531458606.db2.gz CQNMXKAEQMFWBP-UHFFFAOYSA-N 1 0 399.285 1.853 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415351755 531477392 /nfs/dbraw/zinc/47/73/92/531477392.db2.gz ITGIFTIDYPSFOF-JTQLQIEISA-N 1 0 387.221 1.345 20 0 GDADRO CS[C@@H]1CN(c2ccc(S(=O)(=O)NCCC(C)C)cn2)C[C@H]1[NH+](C)C ZINC000538095282 531464808 /nfs/dbraw/zinc/46/48/08/531464808.db2.gz JXZGMRRKVBXZIL-HZPDHXFCSA-N 1 0 386.587 1.888 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000538099877 531465341 /nfs/dbraw/zinc/46/53/41/531465341.db2.gz FHSPPYWTSZSGHP-ZDUSSCGKSA-N 1 0 382.507 1.729 20 0 GDADRO Cc1oc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1S(=O)(=O)N(C)C ZINC000267999879 531465756 /nfs/dbraw/zinc/46/57/56/531465756.db2.gz RVZOLUFOKVNGRD-HNNXBMFYSA-N 1 0 375.516 1.005 20 0 GDADRO CS(=O)(=O)c1cccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c1 ZINC000449103112 531466073 /nfs/dbraw/zinc/46/60/73/531466073.db2.gz OPGZQOOFQUCSBI-UHFFFAOYSA-N 1 0 382.507 1.299 20 0 GDADRO C[C@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449139265 531466852 /nfs/dbraw/zinc/46/68/52/531466852.db2.gz AGGYWLAZDZVTBD-RISCZKNCSA-N 1 0 378.416 1.946 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)Nc1cc(Br)ccc1-n1cccn1 ZINC000415169942 531467166 /nfs/dbraw/zinc/46/71/66/531467166.db2.gz WIWHBIYWTOOKLR-UHFFFAOYSA-N 1 0 393.289 1.662 20 0 GDADRO Cn1cc(N2CC[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000362947348 531467240 /nfs/dbraw/zinc/46/72/40/531467240.db2.gz KQKYCMMWOOXUFP-UKRRQHHQSA-N 1 0 378.274 1.578 20 0 GDADRO C[C@@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449139264 531467670 /nfs/dbraw/zinc/46/76/70/531467670.db2.gz AGGYWLAZDZVTBD-FZMZJTMJSA-N 1 0 378.416 1.946 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1cc(F)c(F)cc1I ZINC000415237602 531467642 /nfs/dbraw/zinc/46/76/42/531467642.db2.gz JJYJCCGLTATLPE-UHFFFAOYSA-N 1 0 399.179 1.927 20 0 GDADRO COCC1(CNC(=O)Nc2cc(Br)cn(C)c2=O)CC[NH2+]CC1 ZINC000415248395 531468872 /nfs/dbraw/zinc/46/88/72/531468872.db2.gz CGAVEMNRGSHZAS-UHFFFAOYSA-N 1 0 387.278 1.286 20 0 GDADRO COC(=O)COc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000449380889 531469636 /nfs/dbraw/zinc/46/96/36/531469636.db2.gz XGSGKKZISZZEBJ-UHFFFAOYSA-N 1 0 395.253 1.952 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000415267064 531470598 /nfs/dbraw/zinc/47/05/98/531470598.db2.gz HSPUJUDAOWVJEV-SNVBAGLBSA-N 1 0 398.257 1.432 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2I)C1 ZINC000415268098 531470878 /nfs/dbraw/zinc/47/08/78/531470878.db2.gz JIMLQBTXAIPKFC-SECBINFHSA-N 1 0 391.184 1.319 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000449442706 531471193 /nfs/dbraw/zinc/47/11/93/531471193.db2.gz MGMLWBVEWRQABL-DGCLKSJQSA-N 1 0 391.921 1.983 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)C1 ZINC000415292915 531471194 /nfs/dbraw/zinc/47/11/94/531471194.db2.gz KTYJTYKZTDSROB-LLVKDONJSA-N 1 0 378.230 1.133 20 0 GDADRO C[NH2+]CCNC(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000415355906 531478480 /nfs/dbraw/zinc/47/84/80/531478480.db2.gz DVMUYJFVEFXPDP-UHFFFAOYSA-N 1 0 377.182 1.419 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N[C@H](C)C[NH3+])c1 ZINC000415358155 531478668 /nfs/dbraw/zinc/47/86/68/531478668.db2.gz IEOQUKBOBPODCN-SSDOTTSWSA-N 1 0 377.182 1.547 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1Cl ZINC000415361199 531479193 /nfs/dbraw/zinc/47/91/93/531479193.db2.gz ZDSLFNQHKVUUCY-SNVBAGLBSA-N 1 0 390.267 1.764 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415365019 531479325 /nfs/dbraw/zinc/47/93/25/531479325.db2.gz VGDQSZPHIOVPDH-UHFFFAOYSA-N 1 0 399.167 1.059 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1Br ZINC000268166077 531480830 /nfs/dbraw/zinc/48/08/30/531480830.db2.gz KQRNXLRKIOIFBE-QMTHXVAHSA-N 1 0 396.285 1.995 20 0 GDADRO CCCN(C(=O)C(=O)Nc1cc(Br)cc(OC)c1)[C@H]1CC[NH2+]C1 ZINC000415404046 531482953 /nfs/dbraw/zinc/48/29/53/531482953.db2.gz MGNXOHIIYFSVEW-ZDUSSCGKSA-N 1 0 384.274 1.997 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000488165777 531483138 /nfs/dbraw/zinc/48/31/38/531483138.db2.gz IAKCEDJODVUDIC-HOTGVXAUSA-N 1 0 377.551 1.054 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000415415252 531484146 /nfs/dbraw/zinc/48/41/46/531484146.db2.gz HSAXIYMXUNBBJH-SECBINFHSA-N 1 0 375.210 1.344 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc1Cl ZINC000415415534 531484559 /nfs/dbraw/zinc/48/45/59/531484559.db2.gz ILTRMIMJWUZDAN-SECBINFHSA-N 1 0 378.256 1.763 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(I)cn1 ZINC000415428851 531485135 /nfs/dbraw/zinc/48/51/35/531485135.db2.gz PGFUICUQYJLUMC-JTQLQIEISA-N 1 0 390.225 1.114 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415546091 531493450 /nfs/dbraw/zinc/49/34/50/531493450.db2.gz XLLJLMOJRAYGCO-WDEREUQCSA-N 1 0 387.889 1.268 20 0 GDADRO CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280312191 531486579 /nfs/dbraw/zinc/48/65/79/531486579.db2.gz OMHYERLNYKAJAE-RISCZKNCSA-N 1 0 394.946 1.724 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1OC ZINC000415449601 531486804 /nfs/dbraw/zinc/48/68/04/531486804.db2.gz JEGJYSNKRHAKBS-LLVKDONJSA-N 1 0 386.246 1.258 20 0 GDADRO COC(=O)c1c(Br)ccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1C ZINC000415445229 531487072 /nfs/dbraw/zinc/48/70/72/531487072.db2.gz VTHCBRQIHXVPSE-SECBINFHSA-N 1 0 398.257 1.303 20 0 GDADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000415449130 531487092 /nfs/dbraw/zinc/48/70/92/531487092.db2.gz YRCFUSSGAXAFGB-LLVKDONJSA-N 1 0 384.274 1.995 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(F)c1I ZINC000415453644 531487873 /nfs/dbraw/zinc/48/78/73/531487873.db2.gz ZFADKGIYOCXVHM-VIFPVBQESA-N 1 0 393.200 1.468 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NCC(C)(C)[NH3+])c(C)cc1Br ZINC000415461761 531488097 /nfs/dbraw/zinc/48/80/97/531488097.db2.gz DVPIRUDWXRZONE-UHFFFAOYSA-N 1 0 386.246 1.336 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c1Br ZINC000415457576 531488105 /nfs/dbraw/zinc/48/81/05/531488105.db2.gz SWLAFQSWIJVRDU-LLVKDONJSA-N 1 0 384.230 1.028 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000415466537 531488413 /nfs/dbraw/zinc/48/84/13/531488413.db2.gz UDMRALSKSDQKHE-SKDRFNHKSA-N 1 0 387.221 1.425 20 0 GDADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545157996 531488780 /nfs/dbraw/zinc/48/87/80/531488780.db2.gz PBHSGZFZMSOADO-CQSZACIVSA-N 1 0 377.304 1.411 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])cc1I ZINC000415464458 531488891 /nfs/dbraw/zinc/48/88/91/531488891.db2.gz CTSXEJKBFGDWEN-UHFFFAOYSA-N 1 0 375.210 1.392 20 0 GDADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000488676798 531488934 /nfs/dbraw/zinc/48/89/34/531488934.db2.gz XBQSIPFITUTDIE-WMLDXEAASA-N 1 0 393.329 1.534 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[C@H]1[NH3+] ZINC000415466014 531489055 /nfs/dbraw/zinc/48/90/55/531489055.db2.gz STJJZDKEBLPCRU-GMSGAONNSA-N 1 0 376.201 1.862 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccccc1I ZINC000415485866 531489859 /nfs/dbraw/zinc/48/98/59/531489859.db2.gz QZBYJMUYELHQSL-UHFFFAOYSA-N 1 0 389.237 1.673 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(I)c1 ZINC000415505559 531490724 /nfs/dbraw/zinc/49/07/24/531490724.db2.gz YCFLLFHMUCKGDM-GFCCVEGCSA-N 1 0 389.237 1.863 20 0 GDADRO CC[N@H+](CCNC(=O)Nc1ccncc1I)C(C)C ZINC000545424744 531491143 /nfs/dbraw/zinc/49/11/43/531491143.db2.gz BXLWEEPFOAFIHG-UHFFFAOYSA-N 1 0 376.242 1.960 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(I)cn1 ZINC000415491911 531491152 /nfs/dbraw/zinc/49/11/52/531491152.db2.gz SMUZRZKMHUWGSE-UHFFFAOYSA-N 1 0 390.225 1.068 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415492185 531491233 /nfs/dbraw/zinc/49/12/33/531491233.db2.gz LDFFRUYGMJERRM-QMMMGPOBSA-N 1 0 376.201 1.876 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000415504075 531491265 /nfs/dbraw/zinc/49/12/65/531491265.db2.gz VYBPMNHNJDMVGM-UHFFFAOYSA-N 1 0 384.274 1.744 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000415540082 531492490 /nfs/dbraw/zinc/49/24/90/531492490.db2.gz NPBSDVBGVILBDS-CYBMUJFWSA-N 1 0 382.251 1.971 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415541532 531492535 /nfs/dbraw/zinc/49/25/35/531492535.db2.gz RHOSRTYITPGIDD-UHFFFAOYSA-N 1 0 380.189 1.018 20 0 GDADRO CC[NH+](CC)CCSCC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000363566944 531492602 /nfs/dbraw/zinc/49/26/02/531492602.db2.gz CECHSYVACZYPNH-KRWDZBQOSA-N 1 0 375.604 1.386 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c(C)cc1Br ZINC000415356598 531478272 /nfs/dbraw/zinc/47/82/72/531478272.db2.gz QUDCRVGSMZDDFG-SNVBAGLBSA-N 1 0 398.257 1.290 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415660176 531510767 /nfs/dbraw/zinc/51/07/67/531510767.db2.gz PESGIKUJBPPVBZ-YGRLFVJLSA-N 1 0 380.286 1.991 20 0 GDADRO NS(=O)(=O)c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C(F)(F)F ZINC000450796104 531510839 /nfs/dbraw/zinc/51/08/39/531510839.db2.gz VBBWCQWMIKGTJV-TXEJJXNPSA-N 1 0 379.404 1.628 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000415665634 531510991 /nfs/dbraw/zinc/51/09/91/531510991.db2.gz UZMLRASJUCXTLZ-SECBINFHSA-N 1 0 388.262 1.519 20 0 GDADRO CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000489835052 531510969 /nfs/dbraw/zinc/51/09/69/531510969.db2.gz DAMGQJPGDVFLIH-ZDUSSCGKSA-N 1 0 390.303 1.019 20 0 GDADRO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000581702350 531511374 /nfs/dbraw/zinc/51/13/74/531511374.db2.gz XAQIXHILLLBJMP-CVEARBPZSA-N 1 0 377.576 1.134 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000581727093 531512110 /nfs/dbraw/zinc/51/21/10/531512110.db2.gz GBGFNRGUWNXTQM-TVQRCGJNSA-N 1 0 379.404 1.226 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c(Br)c1 ZINC000415671768 531512344 /nfs/dbraw/zinc/51/23/44/531512344.db2.gz DOAZEUQDZCGXMD-NSHDSACASA-N 1 0 384.274 1.984 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000415674877 531512624 /nfs/dbraw/zinc/51/26/24/531512624.db2.gz LMTJPSXRLKUDEG-MRXNPFEDSA-N 1 0 398.305 1.883 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000268439777 531513193 /nfs/dbraw/zinc/51/31/93/531513193.db2.gz KFTVBOWEXJBWKF-DZGCQCFKSA-N 1 0 383.334 1.925 20 0 GDADRO Cc1cc(Cl)c(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000415725616 531519572 /nfs/dbraw/zinc/51/95/72/531519572.db2.gz NEBWDHFHAGQGJG-GFCCVEGCSA-N 1 0 385.295 1.746 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415682516 531513731 /nfs/dbraw/zinc/51/37/31/531513731.db2.gz BHTHSVHGZTVMAG-AWEZNQCLSA-N 1 0 376.201 1.863 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)ccc1Br ZINC000415687548 531514266 /nfs/dbraw/zinc/51/42/66/531514266.db2.gz IXYMEKDFQWDWMW-MRXNPFEDSA-N 1 0 398.257 1.372 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415683935 531514398 /nfs/dbraw/zinc/51/43/98/531514398.db2.gz SSYAVBJCZLPISS-BDAKNGLRSA-N 1 0 388.251 1.975 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000415697881 531515156 /nfs/dbraw/zinc/51/51/56/531515156.db2.gz XGLJQCZHFGBNFZ-MRXNPFEDSA-N 1 0 384.249 1.675 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415699326 531515327 /nfs/dbraw/zinc/51/53/27/531515327.db2.gz IAKVDRVDPLPCRY-JTQLQIEISA-N 1 0 384.267 1.901 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C2CC[NH2+]CC2)c1OC ZINC000581824096 531516141 /nfs/dbraw/zinc/51/61/41/531516141.db2.gz WVZSKLUWSJQBCS-UHFFFAOYSA-N 1 0 375.878 1.081 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCCCC[NH3+])c(I)c1 ZINC000415560075 531494436 /nfs/dbraw/zinc/49/44/36/531494436.db2.gz GKPATDOKAUBBGK-UHFFFAOYSA-N 1 0 391.209 1.093 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1Br ZINC000415557562 531494507 /nfs/dbraw/zinc/49/45/07/531494507.db2.gz JEAHPKUOLFGQTL-MNOVXSKESA-N 1 0 384.274 1.995 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)NCCCC[NH3+])c(I)c1 ZINC000415557957 531494713 /nfs/dbraw/zinc/49/47/13/531494713.db2.gz DURXPKPWHDOXBA-UHFFFAOYSA-N 1 0 393.200 1.532 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415554882 531494861 /nfs/dbraw/zinc/49/48/61/531494861.db2.gz TWGGUGWSUAPYRZ-UHFFFAOYSA-N 1 0 384.267 1.855 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CCC1 ZINC000415562253 531495180 /nfs/dbraw/zinc/49/51/80/531495180.db2.gz PFBNQBOZKMOUPA-UHFFFAOYSA-N 1 0 382.917 1.829 20 0 GDADRO C[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000556380601 531495295 /nfs/dbraw/zinc/49/52/95/531495295.db2.gz IANXXOGDCKZRFJ-NEPJUHHUSA-N 1 0 389.905 1.374 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)C1 ZINC000415560501 531495343 /nfs/dbraw/zinc/49/53/43/531495343.db2.gz FWKSOSWZRBJJLE-VXGBXAGGSA-N 1 0 397.317 1.645 20 0 GDADRO CS(=O)(=O)c1ccc(N2CCN([C@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000581538980 531496926 /nfs/dbraw/zinc/49/69/26/531496926.db2.gz IYIYLUZEAUVYDL-LBPRGKRZSA-N 1 0 377.432 1.593 20 0 GDADRO C[C@]1(CNC(=O)C(=O)N2CCc3ccc(Br)cc32)CCC[NH2+]C1 ZINC000415575199 531496889 /nfs/dbraw/zinc/49/68/89/531496889.db2.gz FCSLZIROJAGUOK-KRWDZBQOSA-N 1 0 380.286 1.844 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435163 531497270 /nfs/dbraw/zinc/49/72/70/531497270.db2.gz BOKKWVBNZPFUTO-ZYHUDNBSSA-N 1 0 376.320 1.841 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCCCC[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000415573646 531497237 /nfs/dbraw/zinc/49/72/37/531497237.db2.gz UZBPUBJJGHCLHG-UHFFFAOYSA-N 1 0 384.267 2.281 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415581004 531498273 /nfs/dbraw/zinc/49/82/73/531498273.db2.gz RULAEHSKLFOZCR-JGVFFNPUSA-N 1 0 376.201 1.862 20 0 GDADRO COc1ccc(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1Br ZINC000415582113 531498293 /nfs/dbraw/zinc/49/82/93/531498293.db2.gz OMTFPBCQJIDVQN-MRXNPFEDSA-N 1 0 384.274 1.902 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000635589404 531498320 /nfs/dbraw/zinc/49/83/20/531498320.db2.gz GVJFOLXFJZQQAD-ZIAGYGMSSA-N 1 0 382.448 1.686 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415585974 531498454 /nfs/dbraw/zinc/49/84/54/531498454.db2.gz XVNVWBMRAJZYIA-MWLCHTKSSA-N 1 0 381.274 1.856 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1Br ZINC000415579403 531498539 /nfs/dbraw/zinc/49/85/39/531498539.db2.gz QEHMUVUIIYKWPO-VHSXEESVSA-N 1 0 398.257 1.370 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CCO1 ZINC000415599418 531501828 /nfs/dbraw/zinc/50/18/28/531501828.db2.gz MGKJULAVUOORLQ-LLVKDONJSA-N 1 0 380.857 1.588 20 0 GDADRO C[C@@H]([NH3+])c1ccc(NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 ZINC000415717378 531518989 /nfs/dbraw/zinc/51/89/89/531518989.db2.gz DMVZWGNDPXQHRT-SKDRFNHKSA-N 1 0 382.408 1.650 20 0 GDADRO O=C(CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Nc1ccc(Br)cc1 ZINC000363728709 531502815 /nfs/dbraw/zinc/50/28/15/531502815.db2.gz OZCOEXBAZFQHJG-CVEARBPZSA-N 1 0 382.302 1.919 20 0 GDADRO O=C(CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Nc1ccc(Br)cc1 ZINC000363728713 531502911 /nfs/dbraw/zinc/50/29/11/531502911.db2.gz OZCOEXBAZFQHJG-JKSUJKDBSA-N 1 0 382.302 1.919 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CCO1 ZINC000415610443 531503334 /nfs/dbraw/zinc/50/33/34/531503334.db2.gz VVKOZVMBJSSPKE-JTQLQIEISA-N 1 0 377.775 1.109 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccccc2-n2cc(Br)cn2)C1 ZINC000450623857 531503792 /nfs/dbraw/zinc/50/37/92/531503792.db2.gz NHYPOTYEWNWNOE-MRXNPFEDSA-N 1 0 379.258 1.431 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415622355 531505144 /nfs/dbraw/zinc/50/51/44/531505144.db2.gz XUXROLSQPUQCFM-JVXZTZIISA-N 1 0 376.201 1.780 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000556929116 531505238 /nfs/dbraw/zinc/50/52/38/531505238.db2.gz WPPNZLDFAARSGI-ZDUSSCGKSA-N 1 0 388.295 1.902 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415645356 531506151 /nfs/dbraw/zinc/50/61/51/531506151.db2.gz LNGZVPHAAMAZNO-OLZOCXBDSA-N 1 0 397.317 1.835 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(OC)cc1Br ZINC000658408686 531506222 /nfs/dbraw/zinc/50/62/22/531506222.db2.gz YJCWJTPRJVRZGV-NXEZZACHSA-N 1 0 397.266 1.526 20 0 GDADRO [NH3+]CCN(CCO)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415639802 531506349 /nfs/dbraw/zinc/50/63/49/531506349.db2.gz QPKPXCJQYHWZCI-UHFFFAOYSA-N 1 0 399.289 1.470 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N(C)C[C@@H](O)C[NH3+] ZINC000415632979 531506797 /nfs/dbraw/zinc/50/67/97/531506797.db2.gz YSIHFIPQRDBQHF-ZETCQYMHSA-N 1 0 378.198 1.158 20 0 GDADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000658409392 531507085 /nfs/dbraw/zinc/50/70/85/531507085.db2.gz BRTQUAUWNLIDMO-SECBINFHSA-N 1 0 391.280 1.426 20 0 GDADRO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000635754711 531509502 /nfs/dbraw/zinc/50/95/02/531509502.db2.gz ZIACIHNIIUNOKS-KGLIPLIRSA-N 1 0 384.464 1.790 20 0 GDADRO C[C@H]1C[N@H+](CCO)CCN1c1ncnc2ccc(I)cc21 ZINC000450954624 531521523 /nfs/dbraw/zinc/52/15/23/531521523.db2.gz NTHCKGMQCDWZAQ-NSHDSACASA-N 1 0 398.248 1.737 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000268494575 531522256 /nfs/dbraw/zinc/52/22/56/531522256.db2.gz QUGOYORAGSPXME-MRXNPFEDSA-N 1 0 384.318 1.578 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000415761117 531525307 /nfs/dbraw/zinc/52/53/07/531525307.db2.gz LDJRNJFSWPBASX-NWDGAFQWSA-N 1 0 396.285 1.854 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cnc3c(Br)cccn23)CCN1CCO ZINC000581999542 531527027 /nfs/dbraw/zinc/52/70/27/531527027.db2.gz QIDLPVGDDQMCEH-NSHDSACASA-N 1 0 382.262 1.627 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N(C)CC1C[NH+](C)C1)CC2 ZINC000658721935 531527747 /nfs/dbraw/zinc/52/77/47/531527747.db2.gz DPCPKJKQFBNKQC-UHFFFAOYSA-N 1 0 394.313 1.662 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])n(-c2cccc(Br)c2)n1 ZINC000415781181 531528555 /nfs/dbraw/zinc/52/85/55/531528555.db2.gz JNIODBGCEFAYHG-GHMZBOCLSA-N 1 0 394.273 1.734 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000280711746 531528793 /nfs/dbraw/zinc/52/87/93/531528793.db2.gz LKSBYHSLLGZSSX-NSHDSACASA-N 1 0 383.283 1.550 20 0 GDADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)[C@H]2CCCOC2)CC1 ZINC000550821194 531529001 /nfs/dbraw/zinc/52/90/01/531529001.db2.gz BKSUULNXCCVAKL-IRXDYDNUSA-N 1 0 376.563 1.689 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCCO[C@H]1CC1(F)F ZINC000658750810 531529326 /nfs/dbraw/zinc/52/93/26/531529326.db2.gz GIQOMOPSONHLLX-ZDUSSCGKSA-N 1 0 375.441 1.179 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)cc1Br ZINC000415788369 531529862 /nfs/dbraw/zinc/52/98/62/531529862.db2.gz MDVCVMLIHJGDDX-SNVBAGLBSA-N 1 0 394.216 1.885 20 0 GDADRO CN(C)S(=O)(=O)N[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1CCCC1 ZINC000636015681 531530786 /nfs/dbraw/zinc/53/07/86/531530786.db2.gz NENPEMZBJBFXGZ-OAHLLOKOSA-N 1 0 376.567 1.035 20 0 GDADRO CC(C)N(CC[NH+]1CCCCCC1)S(=O)(=O)CCCN1CCOCC1 ZINC000557855786 531531367 /nfs/dbraw/zinc/53/13/67/531531367.db2.gz RXDNALNXSZZPGC-UHFFFAOYSA-N 1 0 375.579 1.625 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000415720127 531520212 /nfs/dbraw/zinc/52/02/12/531520212.db2.gz DIJBIQOFITWSPU-CYBMUJFWSA-N 1 0 395.301 1.202 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415719678 531520343 /nfs/dbraw/zinc/52/03/43/531520343.db2.gz CXYUXPFXQUCEHW-AWEZNQCLSA-N 1 0 395.301 1.202 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccnn1-c1ccc(Br)cn1 ZINC000659012843 531537037 /nfs/dbraw/zinc/53/70/37/531537037.db2.gz ZXOMGNBNXWKIHU-UHFFFAOYSA-N 1 0 377.246 1.903 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659076524 531537698 /nfs/dbraw/zinc/53/76/98/531537698.db2.gz AKVLXMAMGKCQLA-QMMMGPOBSA-N 1 0 376.201 1.876 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c(Br)c1 ZINC000415827858 531537773 /nfs/dbraw/zinc/53/77/73/531537773.db2.gz CGFNBULBFWJMFL-SNVBAGLBSA-N 1 0 398.179 1.792 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c2cc(Br)ccc21 ZINC000659081298 531538010 /nfs/dbraw/zinc/53/80/10/531538010.db2.gz FJVQCKSBPMEBGE-LBPRGKRZSA-N 1 0 396.285 1.259 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659079382 531538210 /nfs/dbraw/zinc/53/82/10/531538210.db2.gz SVIZKZKTNXKYEV-QMMMGPOBSA-N 1 0 376.201 1.782 20 0 GDADRO CO[C@H]1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)[C@@H](C[NH3+])C1 ZINC000582181994 531538918 /nfs/dbraw/zinc/53/89/18/531538918.db2.gz IKDHYSXYTYYVQL-ZJUUUORDSA-N 1 0 398.257 1.358 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)c2cc(Br)ccc21 ZINC000659077699 531539041 /nfs/dbraw/zinc/53/90/41/531539041.db2.gz IXTPGCZKSLXZTO-GFCCVEGCSA-N 1 0 380.286 1.942 20 0 GDADRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280787342 531540385 /nfs/dbraw/zinc/54/03/85/531540385.db2.gz STEJOMMBGGUKQS-KOLCDFICSA-N 1 0 381.292 1.145 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415835862 531540586 /nfs/dbraw/zinc/54/05/86/531540586.db2.gz PHLGRKGLXYKNBI-SNVBAGLBSA-N 1 0 390.665 1.536 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415840127 531540745 /nfs/dbraw/zinc/54/07/45/531540745.db2.gz TXSAVFFBUNEYLF-MRVPVSSYSA-N 1 0 392.200 1.161 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2sccc2Cl)CC1 ZINC000451055899 531541218 /nfs/dbraw/zinc/54/12/18/531541218.db2.gz MVWZKOBGLZMATA-UHFFFAOYSA-N 1 0 380.919 1.955 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000659111561 531541617 /nfs/dbraw/zinc/54/16/17/531541617.db2.gz CBWPYRYBOFISET-LLVKDONJSA-N 1 0 383.290 1.712 20 0 GDADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2c(I)cnn2C)C1 ZINC000551577486 531541663 /nfs/dbraw/zinc/54/16/63/531541663.db2.gz MMJMBQMAWYWHIF-LLVKDONJSA-N 1 0 390.269 1.732 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c(F)cc1Br ZINC000415844866 531542143 /nfs/dbraw/zinc/54/21/43/531542143.db2.gz ZSESLGNZQANJFJ-SNVBAGLBSA-N 1 0 388.237 1.330 20 0 GDADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)C(F)(F)F ZINC000415843778 531542492 /nfs/dbraw/zinc/54/24/92/531542492.db2.gz STLWDXDBPBVVRX-VIFPVBQESA-N 1 0 386.143 1.923 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415842627 531542522 /nfs/dbraw/zinc/54/25/22/531542522.db2.gz XHNFROXMRCGAPA-ZYHUDNBSSA-N 1 0 384.274 1.948 20 0 GDADRO COC(=O)CN(C)C(=O)CC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000551721827 531545393 /nfs/dbraw/zinc/54/53/93/531545393.db2.gz JUHBCYJOWUNXEI-INIZCTEOSA-N 1 0 384.274 1.906 20 0 GDADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415876165 531547690 /nfs/dbraw/zinc/54/76/90/531547690.db2.gz ZWZRUPBKZYDVRK-SECBINFHSA-N 1 0 376.201 1.924 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000659486453 531547989 /nfs/dbraw/zinc/54/79/89/531547989.db2.gz MBLMTAGHVGCMCS-WKXXDYOBSA-N 1 0 393.285 1.687 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@H]1F ZINC000659486744 531548867 /nfs/dbraw/zinc/54/88/67/531548867.db2.gz QBMQOIBMPLQZBP-MCIONIFRSA-N 1 0 399.264 1.635 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCc2cc(Br)cc(F)c21 ZINC000582594310 531549982 /nfs/dbraw/zinc/54/99/82/531549982.db2.gz JNKQYMUTGLXBGR-FZMZJTMJSA-N 1 0 396.260 1.688 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659674694 531550133 /nfs/dbraw/zinc/55/01/33/531550133.db2.gz OLDJVOGDPXRSBK-BLQFLSLASA-N 1 0 380.286 1.446 20 0 GDADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCOC4(C[NH2+]C4)C3)cc2s1 ZINC000415891744 531550291 /nfs/dbraw/zinc/55/02/91/531550291.db2.gz KIRHBYQGADANSC-UHFFFAOYSA-N 1 0 380.857 1.397 20 0 GDADRO C[NH2+]Cc1cccc(NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 ZINC000415936027 531551713 /nfs/dbraw/zinc/55/17/13/531551713.db2.gz UYKXEWKQJPRDKT-LBPRGKRZSA-N 1 0 382.408 1.350 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000558206453 531551902 /nfs/dbraw/zinc/55/19/02/531551902.db2.gz BSUTYKKMCANPDF-KXUCPTDWSA-N 1 0 378.420 1.938 20 0 GDADRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000280883777 531552425 /nfs/dbraw/zinc/55/24/25/531552425.db2.gz CUXKYMLAJVULCC-GXSJLCMTSA-N 1 0 381.292 1.409 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])nc12 ZINC000659681800 531552454 /nfs/dbraw/zinc/55/24/54/531552454.db2.gz AEDCKCAOVUGTJA-UHFFFAOYSA-N 1 0 396.289 1.217 20 0 GDADRO [NH3+]CCOc1ccc(NC(=O)NCCn2cc(Br)ccc2=O)cc1 ZINC000415947174 531552539 /nfs/dbraw/zinc/55/25/39/531552539.db2.gz QIFHGEHAQFPLGU-UHFFFAOYSA-N 1 0 395.257 1.770 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000415996523 531552997 /nfs/dbraw/zinc/55/29/97/531552997.db2.gz PGTCLVDDNYNLTG-JOYOIKCWSA-N 1 0 382.408 1.235 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000415793544 531533211 /nfs/dbraw/zinc/53/32/11/531533211.db2.gz VCTMJQUGKKFRKT-VIFPVBQESA-N 1 0 378.256 1.811 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000582063345 531533385 /nfs/dbraw/zinc/53/33/85/531533385.db2.gz YCHVHUXTYWLPEA-WDEREUQCSA-N 1 0 384.274 1.412 20 0 GDADRO CO[C@@H]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@H](C[NH3+])C1 ZINC000582720104 531553143 /nfs/dbraw/zinc/55/31/43/531553143.db2.gz FOZKBXCABKVSCN-QWHCGFSZSA-N 1 0 399.285 1.728 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)Nc1nncs1 ZINC000268541531 531533457 /nfs/dbraw/zinc/53/34/57/531533457.db2.gz LCNGDGWCTMOVOK-UHFFFAOYSA-N 1 0 383.499 1.329 20 0 GDADRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 ZINC000582058360 531533977 /nfs/dbraw/zinc/53/39/77/531533977.db2.gz XVUQXIBKPRGYIX-UKRRQHHQSA-N 1 0 391.295 1.960 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1cccc(F)c1I)[C@H](C)[NH3+] ZINC000415809049 531534340 /nfs/dbraw/zinc/53/43/40/531534340.db2.gz OUOVTLZORCPGBF-NKWVEPMBSA-N 1 0 379.173 1.221 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415809447 531534713 /nfs/dbraw/zinc/53/47/13/531534713.db2.gz PFNYEIVVELGDPH-BDAKNGLRSA-N 1 0 375.210 1.390 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415805622 531534881 /nfs/dbraw/zinc/53/48/81/531534881.db2.gz KTPYHHPQVRCOKH-DTWKUNHWSA-N 1 0 375.210 1.390 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C[C@@H]1[NH3+] ZINC000658973205 531534940 /nfs/dbraw/zinc/53/49/40/531534940.db2.gz JPHOADVTQXTQQN-BZPMIXESSA-N 1 0 380.286 1.998 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000415819671 531535529 /nfs/dbraw/zinc/53/55/29/531535529.db2.gz JELYXCZPOGOHDV-OLZOCXBDSA-N 1 0 395.301 1.939 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000557920053 531536171 /nfs/dbraw/zinc/53/61/71/531536171.db2.gz NARUTJNEAZGYTF-GFCCVEGCSA-N 1 0 394.269 1.598 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415818966 531536196 /nfs/dbraw/zinc/53/61/96/531536196.db2.gz XGWBXNYHKFKULW-MFKMUULPSA-N 1 0 382.258 1.607 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CCO1 ZINC000658997000 531536300 /nfs/dbraw/zinc/53/63/00/531536300.db2.gz CVIQFKDVPZTOBN-HNNXBMFYSA-N 1 0 398.301 1.957 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2C[NH2+]CCN2C)cc1Br ZINC000415817437 531536428 /nfs/dbraw/zinc/53/64/28/531536428.db2.gz AETUJWRUKVXSIJ-GFCCVEGCSA-N 1 0 383.290 1.024 20 0 GDADRO C[C@@H](NC(=O)Nc1ccncc1I)C1CC[NH+](C)CC1 ZINC000612755522 531555943 /nfs/dbraw/zinc/55/59/43/531555943.db2.gz OOLUTCJCVHVMPB-SNVBAGLBSA-N 1 0 388.253 1.960 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000659713129 531556914 /nfs/dbraw/zinc/55/69/14/531556914.db2.gz DNLHPDFIHVPANW-AWEZNQCLSA-N 1 0 385.295 1.496 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000659718631 531557425 /nfs/dbraw/zinc/55/74/25/531557425.db2.gz QUGBJXVCKHSAHY-OAHLLOKOSA-N 1 0 387.311 1.742 20 0 GDADRO COc1ccc(Br)cc1C1(C(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC000416126942 531557423 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GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCc2csc(C(F)(F)F)c2)CCSC1 ZINC000636557038 531561887 /nfs/dbraw/zinc/56/18/87/531561887.db2.gz KUUVOIIKPVBOBZ-AWEZNQCLSA-N 1 0 395.472 1.937 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000558472677 531562287 /nfs/dbraw/zinc/56/22/87/531562287.db2.gz NLQXXJUTFNTDLE-UHFFFAOYSA-N 1 0 391.603 1.382 20 0 GDADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H]2CCOC2(C)C)ccc1Cl ZINC000295345828 531563367 /nfs/dbraw/zinc/56/33/67/531563367.db2.gz YEMJNPVXPUYACV-CQSZACIVSA-N 1 0 389.905 1.686 20 0 GDADRO Cc1ccc(Br)nc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000364439740 531564845 /nfs/dbraw/zinc/56/48/45/531564845.db2.gz FTUMBMRJXKVJJD-CQSZACIVSA-N 1 0 397.317 1.289 20 0 GDADRO CC(C)O[C@]1(CS(=O)(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCOC1 ZINC000659894669 531565226 /nfs/dbraw/zinc/56/52/26/531565226.db2.gz ODQOAOQBABKKFD-GOSISDBHSA-N 1 0 376.563 1.954 20 0 GDADRO Cc1cc(I)ccc1NC(=O)CN1C[C@@H](O)C2(CC2)C1 ZINC000364448404 531566686 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GDADRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000268798283 531571549 /nfs/dbraw/zinc/57/15/49/531571549.db2.gz ADALHAYBRGLMRM-FZMZJTMJSA-N 1 0 382.404 1.281 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000583371621 531573243 /nfs/dbraw/zinc/57/32/43/531573243.db2.gz IUJRAOOOCPERDE-AQNFWKISSA-N 1 0 380.286 1.535 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)CCCN2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC000583440888 531575605 /nfs/dbraw/zinc/57/56/05/531575605.db2.gz BRKSZWNTPRDSGA-HNNXBMFYSA-N 1 0 375.441 1.348 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)c1cccc(Cl)c1Br ZINC000493884144 531581879 /nfs/dbraw/zinc/58/18/79/531581879.db2.gz WCHHYRRKJQEXIY-UHFFFAOYSA-N 1 0 385.711 1.959 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1C ZINC000660009094 531582205 /nfs/dbraw/zinc/58/22/05/531582205.db2.gz LXGSKJRGAUSINV-CQSZACIVSA-N 1 0 389.543 1.008 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 ZINC000416374999 531584963 /nfs/dbraw/zinc/58/49/63/531584963.db2.gz UGQQHAZXOJATQI-BZUAXINKSA-N 1 0 394.603 1.867 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493934038 531585316 /nfs/dbraw/zinc/58/53/16/531585316.db2.gz FNKKVCLYWPRVBZ-ZBFHGGJFSA-N 1 0 391.896 1.622 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 ZINC000416375002 531585665 /nfs/dbraw/zinc/58/56/65/531585665.db2.gz UGQQHAZXOJATQI-XHSDSOJGSA-N 1 0 394.603 1.867 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(Cc3cc(Cl)cc(S(N)(=O)=O)c3)C2)CC1 ZINC000556104801 531588818 /nfs/dbraw/zinc/58/88/18/531588818.db2.gz LGFALKZOJNUFQA-INIZCTEOSA-N 1 0 386.949 1.199 20 0 GDADRO Cc1csc([C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C(F)(F)F)n1 ZINC000295508944 531589134 /nfs/dbraw/zinc/58/91/34/531589134.db2.gz CRJCPIAZEJUELI-CMPLNLGQSA-N 1 0 378.420 1.581 20 0 GDADRO CC[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000281172951 531589618 /nfs/dbraw/zinc/58/96/18/531589618.db2.gz IYSQYGJEUAMKPN-UHFFFAOYSA-N 1 0 390.303 1.311 20 0 GDADRO O=C1CO[C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C[C@@H]2N1 ZINC000583738654 531592431 /nfs/dbraw/zinc/59/24/31/531592431.db2.gz GZWYLVZMUQRMGG-ZLDLUXBVSA-N 1 0 375.252 1.322 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494293587 531593352 /nfs/dbraw/zinc/59/33/52/531593352.db2.gz QPHVZNMDPXSSTH-ZBFHGGJFSA-N 1 0 375.441 1.108 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C2CC([NH3+])C2)cc1F ZINC000583811861 531596114 /nfs/dbraw/zinc/59/61/14/531596114.db2.gz CZRYLHITAOENAT-UHFFFAOYSA-N 1 0 379.479 1.088 20 0 GDADRO CN(CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc(Br)o1 ZINC000494344739 531599490 /nfs/dbraw/zinc/59/94/90/531599490.db2.gz UFTRDDVFGJSIQD-NWDGAFQWSA-N 1 0 384.274 1.857 20 0 GDADRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000269015722 531600459 /nfs/dbraw/zinc/60/04/59/531600459.db2.gz NZTHMRVTEUNURA-GRDNDAEWSA-N 1 0 388.555 1.471 20 0 GDADRO CC(C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000269046571 531602774 /nfs/dbraw/zinc/60/27/74/531602774.db2.gz GDSCMFHVTOIMED-MRXNPFEDSA-N 1 0 398.301 1.482 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000295604512 531604525 /nfs/dbraw/zinc/60/45/25/531604525.db2.gz NFUHXOHZTAEJSD-KRWDZBQOSA-N 1 0 385.917 1.563 20 0 GDADRO CC(C)[C@@H](CNS(=O)(=O)CCOCC1CCCC1)N1CC[NH+](C)CC1 ZINC000416408221 531604285 /nfs/dbraw/zinc/60/42/85/531604285.db2.gz OSMINRIFWJQETG-GOSISDBHSA-N 1 0 375.579 1.385 20 0 GDADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295628332 531605813 /nfs/dbraw/zinc/60/58/13/531605813.db2.gz ZEANCEOYNDEXMT-LLVKDONJSA-N 1 0 382.814 1.827 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c(I)cnn2C)C[C@H]1C ZINC000494479117 531607101 /nfs/dbraw/zinc/60/71/01/531607101.db2.gz JQCLSYDKODLRKX-ZJUUUORDSA-N 1 0 376.242 1.579 20 0 GDADRO CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000269088033 531607742 /nfs/dbraw/zinc/60/77/42/531607742.db2.gz NCIRPCCOHBURKD-NSHDSACASA-N 1 0 380.297 1.564 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1COc2ccc(Br)cc21 ZINC000295633412 531607775 /nfs/dbraw/zinc/60/77/75/531607775.db2.gz ZMJSZEWCECOQKG-DZGCQCFKSA-N 1 0 383.286 1.888 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000559836617 531611741 /nfs/dbraw/zinc/61/17/41/531611741.db2.gz DTOWORWYBCLKOT-UHFFFAOYSA-N 1 0 380.576 1.241 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000584285671 531613565 /nfs/dbraw/zinc/61/35/65/531613565.db2.gz AZCGECBFYLUOOY-CYBMUJFWSA-N 1 0 382.302 1.995 20 0 GDADRO Cn1ncc(Br)c1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000295705668 531614578 /nfs/dbraw/zinc/61/45/78/531614578.db2.gz QTJKJGILGPORGS-AWEZNQCLSA-N 1 0 393.285 1.679 20 0 GDADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)[C@H](C(F)(F)F)C1 ZINC000584354555 531617910 /nfs/dbraw/zinc/61/79/10/531617910.db2.gz QRQMWHFJGAJYSV-QJPTWQEYSA-N 1 0 385.452 1.045 20 0 GDADRO CC(C)(C)n1cc(Br)c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)n1 ZINC000615481139 531618416 /nfs/dbraw/zinc/61/84/16/531618416.db2.gz XNUWFJZAUATHPD-LBPRGKRZSA-N 1 0 387.322 1.977 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C[C@H]1[NH+](C)C ZINC000281451106 531619721 /nfs/dbraw/zinc/61/97/21/531619721.db2.gz FGWKRLIUFPURHB-NEPJUHHUSA-N 1 0 377.919 1.105 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cccn2c(I)cnc12 ZINC000269177450 531620559 /nfs/dbraw/zinc/62/05/59/531620559.db2.gz MXGHEHMCOCRHBL-JTQLQIEISA-N 1 0 384.221 1.668 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCC[C@H]2CC[NH2+]C2)ccc1Cl ZINC000269177454 531620909 /nfs/dbraw/zinc/62/09/09/531620909.db2.gz MXUZSRZHRZNQJZ-LLVKDONJSA-N 1 0 375.878 1.251 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000269188779 531621975 /nfs/dbraw/zinc/62/19/75/531621975.db2.gz KAPJXXBXPJDQLG-SECBINFHSA-N 1 0 378.292 1.344 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl ZINC000269195184 531621645 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C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000416509145 531653877 /nfs/dbraw/zinc/65/38/77/531653877.db2.gz QFHVUHJHUKYEEZ-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCCOC2)c1 ZINC000560571367 531654195 /nfs/dbraw/zinc/65/41/95/531654195.db2.gz JLIKWSHBBHRZPY-LBPRGKRZSA-N 1 0 377.304 1.804 20 0 GDADRO O=C(c1csc(Br)c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638479507 531654477 /nfs/dbraw/zinc/65/44/77/531654477.db2.gz PGPRZSNSDVKGFY-UHFFFAOYSA-N 1 0 387.303 1.294 20 0 GDADRO Nc1ncc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)c(N)n1 ZINC000638482842 531655693 /nfs/dbraw/zinc/65/56/93/531655693.db2.gz VYUOXCVPXLQZAQ-UHFFFAOYSA-N 1 0 392.301 1.902 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500165190 531656388 /nfs/dbraw/zinc/65/63/88/531656388.db2.gz UWLMEXUXWODRPO-XUWVNRHRSA-N 1 0 393.619 1.530 20 0 GDADRO COc1nsc(C[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1Br ZINC000638522297 531657105 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O=C(CCNC(=O)c1cc(F)ccc1Br)NCC12CC(C1)C[NH2+]2 ZINC000662721494 531693167 /nfs/dbraw/zinc/69/31/67/531693167.db2.gz QTQIYQWHHZKAAI-UHFFFAOYSA-N 1 0 384.249 1.576 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000662959528 531702021 /nfs/dbraw/zinc/70/20/21/531702021.db2.gz HBNNDPYCCJTTSR-VIFPVBQESA-N 1 0 378.292 1.037 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1=O ZINC000296549040 531702299 /nfs/dbraw/zinc/70/22/99/531702299.db2.gz GUDOCJLAEPLVMV-GFCCVEGCSA-N 1 0 387.278 1.116 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000282080522 531702972 /nfs/dbraw/zinc/70/29/72/531702972.db2.gz ZFQNWMREELSCPI-WDEREUQCSA-N 1 0 384.893 1.671 20 0 GDADRO Nc1nnc(C2CC[NH+](C[C@H](O)COc3ccc(Br)cc3)CC2)o1 ZINC000639727527 531704142 /nfs/dbraw/zinc/70/41/42/531704142.db2.gz VOKOUGJPBVCCLJ-ZDUSSCGKSA-N 1 0 397.273 2.034 20 0 GDADRO CCc1n[nH]c(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1Br ZINC000366049504 531704487 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COC(=O)c1sccc1S(=O)(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000269784648 531756910 /nfs/dbraw/zinc/75/69/10/531756910.db2.gz IVHCWJBOQJBBAE-UHFFFAOYSA-N 1 0 376.500 1.048 20 0 GDADRO C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000417202694 531756956 /nfs/dbraw/zinc/75/69/56/531756956.db2.gz ZYRBTNQJOBPDRL-MFKMUULPSA-N 1 0 378.445 1.280 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(Br)cnc2C)CC[N@H+](C)C1 ZINC000417192469 531757579 /nfs/dbraw/zinc/75/75/79/531757579.db2.gz BGVXUZWJNPPFMF-LLVKDONJSA-N 1 0 385.262 1.721 20 0 GDADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCC[NH+]1CCC(O)CC1 ZINC000297088994 531757872 /nfs/dbraw/zinc/75/78/72/531757872.db2.gz WKIWIESZHBOKLN-OAHLLOKOSA-N 1 0 383.901 1.716 20 0 GDADRO CC(C)[NH+](CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccs1)C(C)C ZINC000508070085 531758685 /nfs/dbraw/zinc/75/86/85/531758685.db2.gz KGDWOQPDYYHPTP-AWEZNQCLSA-N 1 0 375.560 1.992 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCc1cc(Br)ccc1F)C2 ZINC000621839510 531759328 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GDADRO COc1cc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)ccc1Br ZINC000622013863 531764580 /nfs/dbraw/zinc/76/45/80/531764580.db2.gz WNOAQAOCAMXYPW-YGRLFVJLSA-N 1 0 375.288 1.960 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(CC(=O)Nc2ccc(Br)cc2C)nn1 ZINC000640835575 531764776 /nfs/dbraw/zinc/76/47/76/531764776.db2.gz LDPOHHHETVHCAP-ZDUSSCGKSA-N 1 0 396.289 1.894 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cn(C)cc(Br)c1=O ZINC000666698568 531765567 /nfs/dbraw/zinc/76/55/67/531765567.db2.gz RFICZKULUGVSRF-UHFFFAOYSA-N 1 0 388.310 1.153 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000666854481 531766168 /nfs/dbraw/zinc/76/61/68/531766168.db2.gz CKDAVZMRAQGLEI-UHFFFAOYSA-N 1 0 390.937 1.749 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000452110852 531766209 /nfs/dbraw/zinc/76/62/09/531766209.db2.gz ASMBLUUJEXGLEL-LBPRGKRZSA-N 1 0 388.921 1.340 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](C[C@H]2COCCO2)C1 ZINC000562390473 531751553 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386.543 1.185 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N1CCC([NH3+])CC1 ZINC000417582663 531781795 /nfs/dbraw/zinc/78/17/95/531781795.db2.gz JAAMBFXUYBZBML-UHFFFAOYSA-N 1 0 397.317 1.930 20 0 GDADRO O[C@H](COc1ccc(Br)cc1)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641190820 531782890 /nfs/dbraw/zinc/78/28/90/531782890.db2.gz AAFCCLPEQRAJLO-WFASDCNBSA-N 1 0 381.274 1.633 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417416557 531768379 /nfs/dbraw/zinc/76/83/79/531768379.db2.gz FRXPKLCXWKIAIE-WCQYABFASA-N 1 0 383.290 1.558 20 0 GDADRO C[C@@H]1C[N@H+](CCO)CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000452121184 531768537 /nfs/dbraw/zinc/76/85/37/531768537.db2.gz GJMIPOXFMGAEPL-DOMZBBRYSA-N 1 0 391.281 1.326 20 0 GDADRO O=C(NCCCNC(=O)c1cccc(Br)c1)NC[C@H]1CCC[NH2+]1 ZINC000417433988 531770097 /nfs/dbraw/zinc/77/00/97/531770097.db2.gz KVHLKLZTTJPJOS-CQSZACIVSA-N 1 0 383.290 1.620 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000282559262 531770604 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C[NH+]1CCN(Cc2cn(Cc3nc4cc(Br)ccc4o3)nn2)CC1 ZINC000641131004 531779821 /nfs/dbraw/zinc/77/98/21/531779821.db2.gz RZJLOFIHQIWUEP-UHFFFAOYSA-N 1 0 391.273 1.978 20 0 GDADRO COC[C@@H](CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)OC ZINC000641308052 531800577 /nfs/dbraw/zinc/80/05/77/531800577.db2.gz PPFRZVSKYWVLOQ-CABCVRRESA-N 1 0 376.544 1.541 20 0 GDADRO C[C@@H](NC(=O)NCCC(=O)N(C)Cc1ccccc1Br)[C@H](C)[NH3+] ZINC000417589586 531783643 /nfs/dbraw/zinc/78/36/43/531783643.db2.gz VOYMNCFZDKSXIU-NWDGAFQWSA-N 1 0 385.306 1.833 20 0 GDADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CN1c2ccc(Br)cc2OCC1=O ZINC000297333403 531783882 /nfs/dbraw/zinc/78/38/82/531783882.db2.gz HYYKGUUKQAQGKF-ZYHUDNBSSA-N 1 0 382.258 1.513 20 0 GDADRO C[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000417772959 531785578 /nfs/dbraw/zinc/78/55/78/531785578.db2.gz IIMOBCUZNOXJHF-ZDUSSCGKSA-N 1 0 385.306 1.421 20 0 GDADRO CO[C@@H]1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000417880587 531786488 /nfs/dbraw/zinc/78/64/88/531786488.db2.gz DEEHTXPYYHIZNR-VXGBXAGGSA-N 1 0 377.272 1.915 20 0 GDADRO Cc1cc(Br)cc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1N ZINC000417811718 531787224 /nfs/dbraw/zinc/78/72/24/531787224.db2.gz PDGDNWHNFKEHEV-NSHDSACASA-N 1 0 379.262 1.936 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417907302 531788901 /nfs/dbraw/zinc/78/89/01/531788901.db2.gz GSNGQMCOMNATKS-LBPRGKRZSA-N 1 0 385.306 1.774 20 0 GDADRO Cn1cc(Br)c(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)n1 ZINC000562932184 531789168 /nfs/dbraw/zinc/78/91/68/531789168.db2.gz KPPWPBAMJWOZTR-UHFFFAOYSA-N 1 0 385.306 1.834 20 0 GDADRO CC(C)(C[NH3+])NC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417906524 531789508 /nfs/dbraw/zinc/78/95/08/531789508.db2.gz FQMKFYHBXQRIHV-UHFFFAOYSA-N 1 0 385.306 1.822 20 0 GDADRO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCNS(=O)(=O)c2cccs2)cc1 ZINC000417917684 531790284 /nfs/dbraw/zinc/79/02/84/531790284.db2.gz OHWBZNZCUUCQFO-GFCCVEGCSA-N 1 0 382.511 1.546 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)[C@@H](C)[C@H]1[NH3+] ZINC000297413941 531790495 /nfs/dbraw/zinc/79/04/95/531790495.db2.gz RBOXSZZUSVKGLH-UTEYVOQOSA-N 1 0 382.258 1.978 20 0 GDADRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccs2)CC[N@@H+](C2CC2)C1 ZINC000297438554 531791735 /nfs/dbraw/zinc/79/17/35/531791735.db2.gz UNKSQKNCIKFLLP-CYBMUJFWSA-N 1 0 386.543 1.152 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000269870173 531791900 /nfs/dbraw/zinc/79/19/00/531791900.db2.gz FQUJDMLYDIPYEG-KRWDZBQOSA-N 1 0 383.539 1.533 20 0 GDADRO C[C@@](CO)([NH2+]CCn1nc2ccccn2c1=O)c1ccc(Br)cc1 ZINC000511574454 531793816 /nfs/dbraw/zinc/79/38/16/531793816.db2.gz KHZDEUFBJXBRLQ-KRWDZBQOSA-N 1 0 391.269 1.756 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc3c(cc2Br)OCO3)[C@H](C)CN1CCO ZINC000623029998 531794563 /nfs/dbraw/zinc/79/45/63/531794563.db2.gz AKXRKVLANFSHGK-GHMZBOCLSA-N 1 0 385.258 1.705 20 0 GDADRO C[C@@H](C[NH2+]CC1(O)CCS(=O)(=O)CC1)Oc1ccc(Br)cc1 ZINC000562991134 531794731 /nfs/dbraw/zinc/79/47/31/531794731.db2.gz LEYNCAVDPYBEJN-LBPRGKRZSA-N 1 0 392.315 1.746 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)NCCN1CC[NH2+]CC1 ZINC000418000929 531795695 /nfs/dbraw/zinc/79/56/95/531795695.db2.gz KNNYRERTHLXQHR-UHFFFAOYSA-N 1 0 375.300 1.714 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000418014117 531797122 /nfs/dbraw/zinc/79/71/22/531797122.db2.gz NWWXLFDCVWUBMA-WFASDCNBSA-N 1 0 395.301 1.866 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N[C@H](C)CC[NH3+])C2=O)ccc1Br ZINC000418016668 531797466 /nfs/dbraw/zinc/79/74/66/531797466.db2.gz RKCUXYJHQVKFIK-RISCZKNCSA-N 1 0 383.290 1.899 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)CC12CCOCC2 ZINC000623071473 531797816 /nfs/dbraw/zinc/79/78/16/531797816.db2.gz IKQKOZOZLTUVMD-GFCCVEGCSA-N 1 0 395.301 1.944 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cncc(Br)c2C)CC1 ZINC000668233713 531798416 /nfs/dbraw/zinc/79/84/16/531798416.db2.gz JKFSEGZVDQTUQM-UHFFFAOYSA-N 1 0 397.317 1.779 20 0 GDADRO CCn1c(CNC(=O)N2CCO[C@@H](C[NH3+])C2)nc2cc(Br)ccc21 ZINC000418065852 531800168 /nfs/dbraw/zinc/80/01/68/531800168.db2.gz MUAIWMBQEDNRNW-LBPRGKRZSA-N 1 0 396.289 1.688 20 0 GDADRO C[C@@H]1CCN(C(=O)NCc2nn(C)cc2I)C[C@@H]1C[NH3+] ZINC000418269528 531818189 /nfs/dbraw/zinc/81/81/89/531818189.db2.gz YDQOYJMXRKVILP-ZJUUUORDSA-N 1 0 391.257 1.151 20 0 GDADRO Cn1cc(I)c(CNC(=O)NCCC[C@H]2CCC[NH2+]2)n1 ZINC000418264125 531818200 /nfs/dbraw/zinc/81/82/00/531818200.db2.gz SLXLROBJIHSONX-SNVBAGLBSA-N 1 0 391.257 1.356 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418112217 531802973 /nfs/dbraw/zinc/80/29/73/531802973.db2.gz BEHYRLLOYJXJDE-VXGBXAGGSA-N 1 0 387.347 1.961 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418148090 531804458 /nfs/dbraw/zinc/80/44/58/531804458.db2.gz NJLOSZQTHKNMQL-TZMCWYRMSA-N 1 0 388.921 1.306 20 0 GDADRO C[C@H]1CN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC[C@H]1[NH3+] ZINC000418147275 531804492 /nfs/dbraw/zinc/80/44/92/531804492.db2.gz LWTLIYFXXUYMPF-GXTWGEPZSA-N 1 0 388.921 1.387 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)sc1S(N)(=O)=O)C[NH+]1CCCCC1 ZINC000282879213 531805349 /nfs/dbraw/zinc/80/53/49/531805349.db2.gz BFBAFAIVJYBSMI-SNVBAGLBSA-N 1 0 379.935 1.901 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000367075496 531806055 /nfs/dbraw/zinc/80/60/55/531806055.db2.gz VEEROFZKVDCXTH-JQWIXIFHSA-N 1 0 394.310 1.836 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418152736 531806990 /nfs/dbraw/zinc/80/69/90/531806990.db2.gz HYQPMBWYEPWEPL-RNCFNFMXSA-N 1 0 387.253 1.225 20 0 GDADRO Cn1cc(I)c(CNC(=O)NCC[C@H]2CCC[NH2+]C2)n1 ZINC000418262944 531818851 /nfs/dbraw/zinc/81/88/51/531818851.db2.gz RDIWBCHHYUPVBT-SNVBAGLBSA-N 1 0 391.257 1.214 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000514957857 531808436 /nfs/dbraw/zinc/80/84/36/531808436.db2.gz VEVDCQYTTKIIET-SJCJKPOMSA-N 1 0 383.286 1.789 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(I)ccc1F ZINC000269937105 531808712 /nfs/dbraw/zinc/80/87/12/531808712.db2.gz SOOSMDIZAIIQLD-ZDUSSCGKSA-N 1 0 380.201 1.473 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)C(F)F ZINC000418164289 531810374 /nfs/dbraw/zinc/81/03/74/531810374.db2.gz ICLIHQSUHVIAFV-GHMZBOCLSA-N 1 0 396.485 1.040 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000563126172 531810975 /nfs/dbraw/zinc/81/09/75/531810975.db2.gz QEVQACAQFNVQKJ-NXEZZACHSA-N 1 0 377.894 1.455 20 0 GDADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000563129072 531811501 /nfs/dbraw/zinc/81/15/01/531811501.db2.gz UYEKEMLFTSGKNN-CQSZACIVSA-N 1 0 387.527 1.019 20 0 GDADRO Cn1cc(C[C@@H](CO)[NH2+]C[C@H](O)COc2cccc(Br)c2)cn1 ZINC000563137551 531812416 /nfs/dbraw/zinc/81/24/16/531812416.db2.gz GOKRZQGCIDHZFJ-GJZGRUSLSA-N 1 0 384.274 1.116 20 0 GDADRO CS(=O)(=O)c1cc(CNC(=O)NC[C@@H]([NH3+])C2CC2)cc(C(F)(F)F)c1 ZINC000418173254 531812880 /nfs/dbraw/zinc/81/28/80/531812880.db2.gz SCRQTHBWSOQXNM-CYBMUJFWSA-N 1 0 379.404 1.645 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453206613 531813545 /nfs/dbraw/zinc/81/35/45/531813545.db2.gz ICSUENBCJKQCRD-IAGOWNOFSA-N 1 0 389.949 1.852 20 0 GDADRO CO[C@@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)[C@@H](C[NH3+])C1 ZINC000563152718 531814241 /nfs/dbraw/zinc/81/42/41/531814241.db2.gz YIJYNQLIIGQEIO-CHWSQXEVSA-N 1 0 390.347 1.907 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000563164946 531814891 /nfs/dbraw/zinc/81/48/91/531814891.db2.gz VFCPMORDMDNSCA-AWEZNQCLSA-N 1 0 380.297 1.469 20 0 GDADRO Cc1cccc(I)c1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000563159360 531814921 /nfs/dbraw/zinc/81/49/21/531814921.db2.gz IANJYAMOBOVFEP-CYBMUJFWSA-N 1 0 399.276 1.719 20 0 GDADRO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453420027 531815235 /nfs/dbraw/zinc/81/52/35/531815235.db2.gz LGWQEUOLWXCYKW-RMLUDKJBSA-N 1 0 380.297 1.960 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCc1cccc(Br)c1 ZINC000297712213 531815287 /nfs/dbraw/zinc/81/52/87/531815287.db2.gz YTJHAZNJKNSEDD-HNNXBMFYSA-N 1 0 397.317 1.631 20 0 GDADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000418214509 531815936 /nfs/dbraw/zinc/81/59/36/531815936.db2.gz LTXVBWUDGFHYPK-CQDKDKBSSA-N 1 0 382.302 1.952 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NCCOc1ccc(Cl)c(Cl)c1 ZINC000418233391 531816099 /nfs/dbraw/zinc/81/60/99/531816099.db2.gz GIPPAEPSDMMVOY-UHFFFAOYSA-N 1 0 375.300 1.967 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000418191858 531816688 /nfs/dbraw/zinc/81/66/88/531816688.db2.gz YZKGGHSQLJJGDC-GFCCVEGCSA-N 1 0 376.910 1.224 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000516434755 531817077 /nfs/dbraw/zinc/81/70/77/531817077.db2.gz MYINGMIJDXLGCF-CHWSQXEVSA-N 1 0 382.302 1.694 20 0 GDADRO O=C(NCc1c(Br)cncc1Br)NCC1C[NH2+]C1 ZINC000418245993 531817509 /nfs/dbraw/zinc/81/75/09/531817509.db2.gz YQJLJSVVAHLSFK-UHFFFAOYSA-N 1 0 378.068 1.625 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)NCc2c(Br)cncc2Br)C1 ZINC000418242518 531817724 /nfs/dbraw/zinc/81/77/24/531817724.db2.gz VGYBIZLAVDCZRY-ZETCQYMHSA-N 1 0 378.068 1.849 20 0 GDADRO Cn1cncc1CCN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000297742299 531817850 /nfs/dbraw/zinc/81/78/50/531817850.db2.gz KPFFAFOVNRLGQM-UHFFFAOYSA-N 1 0 386.880 1.762 20 0 GDADRO [NH3+]C1CCC(NC(=O)NC[C@H](O)COc2ccccc2Br)CC1 ZINC000418389833 531823692 /nfs/dbraw/zinc/82/36/92/531823692.db2.gz RXYJZIIIJXMMHV-BPCQOVAHSA-N 1 0 386.290 1.758 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000418391652 531824723 /nfs/dbraw/zinc/82/47/23/531824723.db2.gz CJQMBVQDKBVLMV-NHYWBVRUSA-N 1 0 388.281 1.776 20 0 GDADRO CC(C)([NH3+])CNC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418410854 531825253 /nfs/dbraw/zinc/82/52/53/531825253.db2.gz DCQRQQGPQBXWJZ-LLVKDONJSA-N 1 0 376.270 1.776 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418396900 531825354 /nfs/dbraw/zinc/82/53/54/531825354.db2.gz UKBIFGDVBRYSPQ-NSHDSACASA-N 1 0 376.270 1.948 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000418439879 531826029 /nfs/dbraw/zinc/82/60/29/531826029.db2.gz GKRXBRWWIWBPGW-GDBMZVCRSA-N 1 0 376.567 1.596 20 0 GDADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000418488243 531826070 /nfs/dbraw/zinc/82/60/70/531826070.db2.gz MIXONWBTAMHZEY-GJZGRUSLSA-N 1 0 386.290 1.870 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418489499 531827033 /nfs/dbraw/zinc/82/70/33/531827033.db2.gz LVTWRJDDOIPHBH-CMPLNLGQSA-N 1 0 376.270 1.633 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000418515027 531827943 /nfs/dbraw/zinc/82/79/43/531827943.db2.gz BHXCVJNFMZIPPA-NSHDSACASA-N 1 0 392.884 1.232 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)N[C@H](C)CC[NH3+])cc1Br ZINC000418516000 531828610 /nfs/dbraw/zinc/82/86/10/531828610.db2.gz BZHQTRFIOOWPAR-DGCLKSJQSA-N 1 0 388.306 1.645 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418534857 531829441 /nfs/dbraw/zinc/82/94/41/531829441.db2.gz XXSLTALSJUELCG-PWSUYJOCSA-N 1 0 376.270 1.776 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418303446 531819857 /nfs/dbraw/zinc/81/98/57/531819857.db2.gz VSWKLUCYDRACKD-UHFFFAOYSA-N 1 0 375.336 1.947 20 0 GDADRO C[NH2+]CCCNC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000418279706 531820675 /nfs/dbraw/zinc/82/06/75/531820675.db2.gz PSNHEVRMVKHNJE-CYBMUJFWSA-N 1 0 388.306 1.517 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453921832 531833110 /nfs/dbraw/zinc/83/31/10/531833110.db2.gz GVSPTIBYCPYTAN-XHDPSFHLSA-N 1 0 396.285 1.697 20 0 GDADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670447357 531833447 /nfs/dbraw/zinc/83/34/47/531833447.db2.gz SSNPDGLTVLWNTP-CQSZACIVSA-N 1 0 382.295 1.690 20 0 GDADRO CC1(CC(F)(F)F)CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418622823 531833601 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20 0 GDADRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624337029 531837387 /nfs/dbraw/zinc/83/73/87/531837387.db2.gz FGIPMPMWKZOXAX-UWVGGRQHSA-N 1 0 382.313 1.358 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000418774942 531838819 /nfs/dbraw/zinc/83/88/19/531838819.db2.gz ZJLOHOWETGTQQV-HOCLYGCPSA-N 1 0 381.318 1.852 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000418782335 531839060 /nfs/dbraw/zinc/83/90/60/531839060.db2.gz NGLGBLCJAMXVOD-UHFFFAOYSA-N 1 0 398.301 1.580 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000418781429 531839219 /nfs/dbraw/zinc/83/92/19/531839219.db2.gz MDYDEFWMACBZHX-YPMHNXCESA-N 1 0 396.285 1.142 20 0 GDADRO C[NH+](C)C1CC(NC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000670402308 531830264 /nfs/dbraw/zinc/83/02/64/531830264.db2.gz UHNJBGHLOBPRIM-UHFFFAOYSA-N 1 0 382.258 1.383 20 0 GDADRO Nc1nc(NCCOc2ccc(Br)cc2C(F)(F)F)nc(N)[nH+]1 ZINC000624074570 531832233 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386.294 1.930 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418847899 531853163 /nfs/dbraw/zinc/85/31/63/531853163.db2.gz WZEDDQNZCUZJJH-UXIGCNINSA-N 1 0 382.302 1.740 20 0 GDADRO CC[NH+](CC)CCN(C(=O)CSc1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000298118477 531853226 /nfs/dbraw/zinc/85/32/26/531853226.db2.gz SCDXTXBJTUZZGI-OAHLLOKOSA-N 1 0 385.555 1.531 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563585631 531853837 /nfs/dbraw/zinc/85/38/37/531853837.db2.gz PSLIATGBPJGSHO-GFCCVEGCSA-N 1 0 383.290 1.111 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000418852604 531854196 /nfs/dbraw/zinc/85/41/96/531854196.db2.gz VMCKZQKRYDQUKG-CMPLNLGQSA-N 1 0 386.265 1.443 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418850954 531854950 /nfs/dbraw/zinc/85/49/50/531854950.db2.gz RDYFNYKMQVRKMJ-SMDDNHRTSA-N 1 0 386.265 1.491 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C(N)=O ZINC000624390749 531840897 /nfs/dbraw/zinc/84/08/97/531840897.db2.gz HXMNFMSTKUQCST-GXFFZTMASA-N 1 0 379.404 1.242 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000418806084 531842212 /nfs/dbraw/zinc/84/22/12/531842212.db2.gz CBGUMWIDDIVAOR-MNOVXSKESA-N 1 0 386.265 1.709 20 0 GDADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418803154 531842735 /nfs/dbraw/zinc/84/27/35/531842735.db2.gz DVPJNRWYPVAUII-CHWFTXMASA-N 1 0 386.315 1.726 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(C)c(Br)cc1C ZINC000624396593 531843069 /nfs/dbraw/zinc/84/30/69/531843069.db2.gz YVRQFDMWSKIZGS-UHFFFAOYSA-N 1 0 379.320 1.922 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1ccc(F)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000418806086 531843095 /nfs/dbraw/zinc/84/30/95/531843095.db2.gz CBGUMWIDDIVAOR-QWRGUYRKSA-N 1 0 386.265 1.709 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(OC)cc1Br ZINC000624397619 531843396 /nfs/dbraw/zinc/84/33/96/531843396.db2.gz FUVURCFSOSQANP-UHFFFAOYSA-N 1 0 381.292 1.314 20 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531847600 /nfs/dbraw/zinc/84/76/00/531847600.db2.gz IMDQEZFWUGGOSO-DARAHFNDSA-N 1 0 392.297 1.489 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418826651 531848068 /nfs/dbraw/zinc/84/80/68/531848068.db2.gz BMXLMECBUUJEDJ-VHSXEESVSA-N 1 0 392.258 1.886 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418827265 531848364 /nfs/dbraw/zinc/84/83/64/531848364.db2.gz GOVRVUXVYVQIIM-BYCMXARLSA-N 1 0 380.286 1.537 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCCOc2cccc(Br)c2)CC[NH2+]1 ZINC000418933178 531865889 /nfs/dbraw/zinc/86/58/89/531865889.db2.gz DPGPLZAOXSXINZ-UHFFFAOYSA-N 1 0 384.274 1.155 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000595121744 531866446 /nfs/dbraw/zinc/86/64/46/531866446.db2.gz QKHMPPXISTVQKF-UHFFFAOYSA-N 1 0 389.271 1.266 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])C1 ZINC000595118466 531866936 /nfs/dbraw/zinc/86/69/36/531866936.db2.gz QOCZDMMDPLCEOM-OWCLPIDISA-N 1 0 375.535 1.346 20 0 GDADRO O=c1c(Br)c(N2CC[C@@H]3CC[NH2+][C@H]3C2)cnn1-c1ccccn1 ZINC000643031518 531867160 /nfs/dbraw/zinc/86/71/60/531867160.db2.gz QTUUTRRVTKFTAD-RYUDHWBXSA-N 1 0 376.258 1.578 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000283487050 531867918 /nfs/dbraw/zinc/86/79/18/531867918.db2.gz HMJNKLDIPBUITM-RISCZKNCSA-N 1 0 380.286 1.807 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418857028 531856267 /nfs/dbraw/zinc/85/62/67/531856267.db2.gz QWUHKXZODBSCAB-KBPBESRZSA-N 1 0 380.286 1.442 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000563612186 531856590 /nfs/dbraw/zinc/85/65/90/531856590.db2.gz GGYXQQVFKHMFRI-JJRVBVJISA-N 1 0 380.286 1.619 20 0 GDADRO CN(C)S(=O)(=O)NCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000298144379 531856774 /nfs/dbraw/zinc/85/67/74/531856774.db2.gz QZGJVCXKFBXEEX-UHFFFAOYSA-N 1 0 392.928 1.429 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000418865325 531857145 /nfs/dbraw/zinc/85/71/45/531857145.db2.gz LBYAAHBSKGVJAD-AAEUAGOBSA-N 1 0 383.290 1.622 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418863112 531857876 /nfs/dbraw/zinc/85/78/76/531857876.db2.gz ILRLXMUWXDLOTH-OLZOCXBDSA-N 1 0 395.301 1.012 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc(Br)cn1 ZINC000418868195 531858354 /nfs/dbraw/zinc/85/83/54/531858354.db2.gz PLCDOSKNWXLLLI-SRVKXCTJSA-N 1 0 383.290 1.465 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000642342491 531858613 /nfs/dbraw/zinc/85/86/13/531858613.db2.gz SXPQPINLBDMGAP-LBPRGKRZSA-N 1 0 391.921 1.937 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(Br)cn1 ZINC000418870380 531858713 /nfs/dbraw/zinc/85/87/13/531858713.db2.gz RZCRCRHKASWLQL-VTPLQMEGSA-N 1 0 395.301 1.607 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000418874733 531859722 /nfs/dbraw/zinc/85/97/22/531859722.db2.gz ZYZDGIQNDQSRLL-LBPRGKRZSA-N 1 0 397.317 1.869 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418881434 531859963 /nfs/dbraw/zinc/85/99/63/531859963.db2.gz HJKTWGUTGSSHMU-PELKAZGASA-N 1 0 386.221 1.006 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418944660 531869175 /nfs/dbraw/zinc/86/91/75/531869175.db2.gz OEYHSJHCZINZDG-NHYWBVRUSA-N 1 0 380.286 1.668 20 0 GDADRO COc1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1Br ZINC000642741233 531863095 /nfs/dbraw/zinc/86/30/95/531863095.db2.gz ZCNHGQZAFZPTDD-GFCCVEGCSA-N 1 0 384.274 1.332 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000642724498 531863158 /nfs/dbraw/zinc/86/31/58/531863158.db2.gz ROOCPMLSHFTWRI-UHFFFAOYSA-N 1 0 386.290 1.578 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CSCCF)c1 ZINC000595018783 531865318 /nfs/dbraw/zinc/86/53/18/531865318.db2.gz GMECNBLPOVQSBM-RYUDHWBXSA-N 1 0 377.507 1.603 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000367791685 531865537 /nfs/dbraw/zinc/86/55/37/531865537.db2.gz JOJFEEYSLQFWJZ-SWHYSGLUSA-N 1 0 377.869 1.746 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000642947686 531865574 /nfs/dbraw/zinc/86/55/74/531865574.db2.gz SYJMHLGNEOHBEY-MRXNPFEDSA-N 1 0 381.274 1.825 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000418948279 531870723 /nfs/dbraw/zinc/87/07/23/531870723.db2.gz SZWGBPGIPSQYBP-OAHLLOKOSA-N 1 0 380.286 1.763 20 0 GDADRO C[C@H](C[NH3+])CNS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000564960324 531870888 /nfs/dbraw/zinc/87/08/88/531870888.db2.gz NJPMVSLINCVMBB-SECBINFHSA-N 1 0 398.312 1.334 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1I ZINC000595239604 531871189 /nfs/dbraw/zinc/87/11/89/531871189.db2.gz DUQXAUCBPQTZGJ-UHFFFAOYSA-N 1 0 389.237 1.734 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000564958351 531871177 /nfs/dbraw/zinc/87/11/77/531871177.db2.gz KSCURXNAGUNFSQ-NSHDSACASA-N 1 0 381.274 1.793 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])ncc1I ZINC000595239622 531871656 /nfs/dbraw/zinc/87/16/56/531871656.db2.gz FEDIDSSAHZRUFI-UHFFFAOYSA-N 1 0 390.225 1.129 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1C(=O)OC ZINC000595243178 531871894 /nfs/dbraw/zinc/87/18/94/531871894.db2.gz DRSQSKHABZBGHO-ZETCQYMHSA-N 1 0 390.209 1.037 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(I)cc1F ZINC000595243175 531871941 /nfs/dbraw/zinc/87/19/41/531871941.db2.gz DLNXXDLHPBWREW-SSDOTTSWSA-N 1 0 379.173 1.093 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C[C@@H]1C[NH3+] ZINC000418951788 531872300 /nfs/dbraw/zinc/87/23/00/531872300.db2.gz XOCNANQEQXZYTK-FFSVYQOJSA-N 1 0 394.313 1.996 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)[C@H]1CCOC1)c1cccc(Br)c1 ZINC000564974618 531872850 /nfs/dbraw/zinc/87/28/50/531872850.db2.gz GVPLLIODGDBWPF-SMDDNHRTSA-N 1 0 378.288 1.210 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418970283 531873851 /nfs/dbraw/zinc/87/38/51/531873851.db2.gz KMIMSOMSMAUGOP-SNVBAGLBSA-N 1 0 394.273 1.281 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000418990931 531875524 /nfs/dbraw/zinc/87/55/24/531875524.db2.gz MDAKPPJCVKFZFW-KGLIPLIRSA-N 1 0 380.286 1.727 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000418990923 531875585 /nfs/dbraw/zinc/87/55/85/531875585.db2.gz MCPKFAFTDFLODF-JSGCOSHPSA-N 1 0 382.302 1.960 20 0 GDADRO CN(CC(=O)NC[C@H](c1cccs1)[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000298315832 531876411 /nfs/dbraw/zinc/87/64/11/531876411.db2.gz QKOBTXPZIUHHIO-OAHLLOKOSA-N 1 0 381.523 1.788 20 0 GDADRO O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644049013 531876776 /nfs/dbraw/zinc/87/67/76/531876776.db2.gz LWJKMMMDFTWCGP-NSHDSACASA-N 1 0 377.388 1.549 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cccc(Br)c3)C[C@H]21 ZINC000418996402 531877092 /nfs/dbraw/zinc/87/70/92/531877092.db2.gz SQZINVZENAQNPU-NUEKZKHPSA-N 1 0 394.313 1.694 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000418998336 531877460 /nfs/dbraw/zinc/87/74/60/531877460.db2.gz VUMIQEYMJTUBOY-TZMCWYRMSA-N 1 0 382.302 1.878 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1Br ZINC000419005106 531878282 /nfs/dbraw/zinc/87/82/82/531878282.db2.gz FOKDKLMTCFJIOE-SRVKXCTJSA-N 1 0 398.301 1.831 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000566081988 531878496 /nfs/dbraw/zinc/87/84/96/531878496.db2.gz OAJUJOWHGDMNIQ-AWEZNQCLSA-N 1 0 385.555 1.628 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1Br ZINC000419006598 531878657 /nfs/dbraw/zinc/87/86/57/531878657.db2.gz HTIQYSLLLDOGBQ-PWSUYJOCSA-N 1 0 384.274 1.503 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000419007438 531879278 /nfs/dbraw/zinc/87/92/78/531879278.db2.gz JUPWYMVXSDLXPB-SUNKGSAMSA-N 1 0 398.301 1.749 20 0 GDADRO CC(C)[C@H](C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)[C@H](C)[NH3+] ZINC000566097071 531880191 /nfs/dbraw/zinc/88/01/91/531880191.db2.gz LFXURFJZJJIWQR-AAEUAGOBSA-N 1 0 387.468 1.421 20 0 GDADRO CS[C@@H]1CN(C(=O)CSCc2cc(=O)n3ccsc3n2)C[C@@H]1[NH+](C)C ZINC000270497482 531880309 /nfs/dbraw/zinc/88/03/09/531880309.db2.gz PCZYVRKLWLBUNY-QWHCGFSZSA-N 1 0 398.579 1.493 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1Br ZINC000419011115 531880434 /nfs/dbraw/zinc/88/04/34/531880434.db2.gz RTMZQFDXWWTWNU-WDEREUQCSA-N 1 0 384.274 1.442 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000645583195 531880525 /nfs/dbraw/zinc/88/05/25/531880525.db2.gz ZZJNBTCNMMPXSG-UHFFFAOYSA-N 1 0 380.436 1.405 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419022235 531881385 /nfs/dbraw/zinc/88/13/85/531881385.db2.gz NGGFMJGGJAPNMF-CYBMUJFWSA-N 1 0 394.313 1.922 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419025087 531883371 /nfs/dbraw/zinc/88/33/71/531883371.db2.gz RVQSLAXZTOMWRJ-LALPHHSUSA-N 1 0 382.302 1.692 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1[NH+](C)C ZINC000270512742 531883406 /nfs/dbraw/zinc/88/34/06/531883406.db2.gz RIOSHMAPVRXESW-CVEARBPZSA-N 1 0 383.539 1.245 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000419027497 531883724 /nfs/dbraw/zinc/88/37/24/531883724.db2.gz VZBNJOWDUZCGTL-OLZOCXBDSA-N 1 0 382.258 1.242 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000418943538 531869561 /nfs/dbraw/zinc/86/95/61/531869561.db2.gz ZVFHCVPTTOBFCZ-MNOVXSKESA-N 1 0 388.331 1.770 20 0 GDADRO COc1ccc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nc1Br ZINC000368076545 531891258 /nfs/dbraw/zinc/89/12/58/531891258.db2.gz ASBBRPKCYIWSJE-CYBMUJFWSA-N 1 0 397.317 1.705 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000419050098 531891252 /nfs/dbraw/zinc/89/12/52/531891252.db2.gz DFYNRTWKKUPDED-CYBMUJFWSA-N 1 0 387.267 1.070 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000419052560 531892642 /nfs/dbraw/zinc/89/26/42/531892642.db2.gz HOEPZATUKMZFKB-ZANVPECISA-N 1 0 387.267 1.068 20 0 GDADRO O=C(Nc1ccc(Br)c(I)c1)C1(O)C[NH2+]C1 ZINC000595935264 531893981 /nfs/dbraw/zinc/89/39/81/531893981.db2.gz HZKFMIKOTDCIFK-UHFFFAOYSA-N 1 0 397.010 1.327 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCCSCc2ccc(Cl)cc2Cl)C1 ZINC000419095346 531899604 /nfs/dbraw/zinc/89/96/04/531899604.db2.gz MBJCLOSOXILHME-LBPRGKRZSA-N 1 0 376.309 1.902 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1OC ZINC000270563163 531894621 /nfs/dbraw/zinc/89/46/21/531894621.db2.gz KWFPMJXCGVYYST-FZMZJTMJSA-N 1 0 378.491 1.509 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1sc2c(c1I)CNC2 ZINC000595948356 531895307 /nfs/dbraw/zinc/89/53/07/531895307.db2.gz QVZMXEKBCRHHJJ-JGVFFNPUSA-N 1 0 391.278 1.778 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1cc(Br)cs1 ZINC000283788846 531895405 /nfs/dbraw/zinc/89/54/05/531895405.db2.gz GHMDLTPJNKBOPL-ZWNOBZJWSA-N 1 0 388.331 1.925 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000368126586 531895418 /nfs/dbraw/zinc/89/54/18/531895418.db2.gz SQFKOVVKARSUQA-HNNXBMFYSA-N 1 0 386.539 1.490 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)c1sc2c(c1I)CNC2 ZINC000595948919 531895498 /nfs/dbraw/zinc/89/54/98/531895498.db2.gz CORIXGPNFPMZIO-ZETCQYMHSA-N 1 0 379.267 1.813 20 0 GDADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647709653 531895635 /nfs/dbraw/zinc/89/56/35/531895635.db2.gz ZWAIKXIBJHRNGE-NWDGAFQWSA-N 1 0 383.242 1.459 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CCCSCc2ccccc2)[C@H](N2CCOCC2)C1 ZINC000270575983 531896216 /nfs/dbraw/zinc/89/62/16/531896216.db2.gz PICSUOXVUJCARI-ZWKOTPCHSA-N 1 0 384.567 1.397 20 0 GDADRO [NH3+]C1CCC(NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000647727178 531896776 /nfs/dbraw/zinc/89/67/76/531896776.db2.gz OQPASPWGOLKVGN-UHFFFAOYSA-N 1 0 379.404 1.370 20 0 GDADRO O=C(NCc1cc(Cl)cc(Br)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419077625 531898146 /nfs/dbraw/zinc/89/81/46/531898146.db2.gz XYFCJOAGZCXZTF-MFKMUULPSA-N 1 0 386.677 1.539 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419077401 531898336 /nfs/dbraw/zinc/89/83/36/531898336.db2.gz JEODPBUORYFIQM-GFCCVEGCSA-N 1 0 382.302 1.711 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000419084016 531899141 /nfs/dbraw/zinc/89/91/41/531899141.db2.gz SIXLJWNGPNHYCK-NSHDSACASA-N 1 0 380.539 1.810 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc(Br)c(F)c1)C1CCCC1 ZINC000419031638 531884742 /nfs/dbraw/zinc/88/47/42/531884742.db2.gz ALPFXKXRQYWQNB-CQSZACIVSA-N 1 0 386.265 1.838 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419029591 531884825 /nfs/dbraw/zinc/88/48/25/531884825.db2.gz YNWWQYPQNKHHNS-YPMHNXCESA-N 1 0 382.258 1.339 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccnc1OCC(F)F ZINC000625215044 531886065 /nfs/dbraw/zinc/88/60/65/531886065.db2.gz YNNIXDCTUVHKHG-STQMWFEESA-N 1 0 375.441 1.973 20 0 GDADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)C(=O)NCC1C[NH2+]C1 ZINC000419040951 531887524 /nfs/dbraw/zinc/88/75/24/531887524.db2.gz MZJBPMSYKQAMNI-UHFFFAOYSA-N 1 0 380.659 1.477 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000646023975 531887596 /nfs/dbraw/zinc/88/75/96/531887596.db2.gz FSCWZNRLEDRJNB-QGZVFWFLSA-N 1 0 398.301 1.094 20 0 GDADRO CC(C)[N@H+](C)CCCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000298442550 531888343 /nfs/dbraw/zinc/88/83/43/531888343.db2.gz PUJSFJSWNFWNNP-UHFFFAOYSA-N 1 0 389.543 1.229 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CCN2C1=O ZINC000566496445 531888531 /nfs/dbraw/zinc/88/85/31/531888531.db2.gz RNJUREWNSNMFOY-UFBFGSQYSA-N 1 0 397.806 1.291 20 0 GDADRO COc1ccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(Br)c1 ZINC000566505145 531889526 /nfs/dbraw/zinc/88/95/26/531889526.db2.gz SLTXUYDRTNOTFW-BXKDBHETSA-N 1 0 383.246 1.233 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2ccnc(OCC(F)(F)F)n2)C[C@H]1[NH+](C)C ZINC000455996428 531889654 /nfs/dbraw/zinc/88/96/54/531889654.db2.gz YYUJBUIWWUAFSA-ZJUUUORDSA-N 1 0 379.408 1.927 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nc(C2CC2)ncc1Br ZINC000368064234 531890083 /nfs/dbraw/zinc/89/00/83/531890083.db2.gz NDMJZQIRHFUKIU-NEPJUHHUSA-N 1 0 381.274 1.710 20 0 GDADRO O=C(C[C@H]1C[NH2+]CCO1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000567980314 531905261 /nfs/dbraw/zinc/90/52/61/531905261.db2.gz ZJXBUHYUZIZYOZ-INIZCTEOSA-N 1 0 382.302 1.472 20 0 GDADRO COC(=O)CCOc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000596050162 531905423 /nfs/dbraw/zinc/90/54/23/531905423.db2.gz ITGNHCOPPMLOGO-LBPRGKRZSA-N 1 0 384.376 1.139 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419152294 531905777 /nfs/dbraw/zinc/90/57/77/531905777.db2.gz NDVLQZCUZOLYIZ-LLVKDONJSA-N 1 0 386.290 1.312 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419157459 531906432 /nfs/dbraw/zinc/90/64/32/531906432.db2.gz VHPXIASOGDRHAA-CQSZACIVSA-N 1 0 398.301 1.456 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CC[NH2+]C[C@@H]2C(F)F)c1 ZINC000647968356 531907093 /nfs/dbraw/zinc/90/70/93/531907093.db2.gz RFGJVLMQKLCVFU-GFCCVEGCSA-N 1 0 381.832 1.221 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419164534 531907493 /nfs/dbraw/zinc/90/74/93/531907493.db2.gz YZKJEAIIHCUIHV-UHFFFAOYSA-N 1 0 396.207 1.762 20 0 GDADRO O=C(NCc1cc(F)ccc1Br)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419164107 531907654 /nfs/dbraw/zinc/90/76/54/531907654.db2.gz YGEIKNDVXVCAHM-INIZCTEOSA-N 1 0 384.249 1.416 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000283890887 531907639 /nfs/dbraw/zinc/90/76/39/531907639.db2.gz JMRRKSQVWFJGPQ-GFCCVEGCSA-N 1 0 394.278 1.662 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)NCC(F)F)cc1 ZINC000270673953 531908343 /nfs/dbraw/zinc/90/83/43/531908343.db2.gz XRFFRTGGKRVDFU-LBPRGKRZSA-N 1 0 377.457 1.749 20 0 GDADRO O=C(c1cc(Cl)ccc1I)N1CCOC2(C[NH2+]C2)C1 ZINC000596099358 531908951 /nfs/dbraw/zinc/90/89/51/531908951.db2.gz 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O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419236917 531916592 /nfs/dbraw/zinc/91/65/92/531916592.db2.gz BIJAUZGNNNTRRE-YPMHNXCESA-N 1 0 398.326 1.970 20 0 GDADRO [NH3+]C1(CNC(=O)Nc2cc(Br)cnc2-n2cccn2)CCOCC1 ZINC000625877680 531916768 /nfs/dbraw/zinc/91/67/68/531916768.db2.gz UOVPQAHFEQBFLR-UHFFFAOYSA-N 1 0 395.261 1.659 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000419352730 531928643 /nfs/dbraw/zinc/92/86/43/531928643.db2.gz ASHBOSFOXZBPLY-CYBMUJFWSA-N 1 0 382.302 1.566 20 0 GDADRO O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)NCC(=O)Nc1ccccc1Br ZINC000569811285 531929526 /nfs/dbraw/zinc/92/95/26/531929526.db2.gz QIJGRQCPCYFZSQ-OLZOCXBDSA-N 1 0 395.301 1.045 20 0 GDADRO O=C(NCC1(c2ccc(Br)cc2)CCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419363454 531929711 /nfs/dbraw/zinc/92/97/11/531929711.db2.gz CSXFYQBSERFDPN-HNNXBMFYSA-N 1 0 394.313 1.855 20 0 GDADRO O=C(NCC(=O)N1CC[NH2+]CC1)NCc1ccc(Br)cc1Cl ZINC000569820195 531930585 /nfs/dbraw/zinc/93/05/85/531930585.db2.gz 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C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)Oc1ccccc1Br ZINC000419612933 531940869 /nfs/dbraw/zinc/94/08/69/531940869.db2.gz MRBIAFALQHFTRW-AGIUHOORSA-N 1 0 398.301 1.528 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 ZINC000419609137 531941163 /nfs/dbraw/zinc/94/11/63/531941163.db2.gz ISXWRGVWCYHKPB-GFCCVEGCSA-N 1 0 398.301 1.543 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1Cl ZINC000626910657 531941240 /nfs/dbraw/zinc/94/12/40/531941240.db2.gz ATSCOACSHQNWQH-TVQRCGJNSA-N 1 0 390.267 1.824 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)Oc1ccc(Br)cc1 ZINC000419613477 531941421 /nfs/dbraw/zinc/94/14/21/531941421.db2.gz NRYYXDDVWCRHOO-GFCCVEGCSA-N 1 0 398.301 1.591 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000626928109 531941924 /nfs/dbraw/zinc/94/19/24/531941924.db2.gz LQXQTLBWCFZOSN-OLZOCXBDSA-N 1 0 388.559 1.718 20 0 GDADRO [NH3+]CCCOCCNC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000627046046 531942841 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398.301 1.447 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC2(C[NH3+])CC2)cc1Br ZINC000652378872 531946411 /nfs/dbraw/zinc/94/64/11/531946411.db2.gz KPHXGHCMQGBADH-UHFFFAOYSA-N 1 0 390.303 1.815 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C[C@H]1C[NH3+] ZINC000652379844 531946725 /nfs/dbraw/zinc/94/67/25/531946725.db2.gz PLGSNZFOICUQTB-QMTHXVAHSA-N 1 0 393.868 1.422 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000419628347 531946983 /nfs/dbraw/zinc/94/69/83/531946983.db2.gz ZBPWFARPDUVCPG-NSHDSACASA-N 1 0 384.274 1.201 20 0 GDADRO O=C(NCc1cccc(Br)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419636228 531946999 /nfs/dbraw/zinc/94/69/99/531946999.db2.gz GZMURCUFUNBUJJ-KCQAQPDRSA-N 1 0 380.286 1.570 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1Br ZINC000571056338 531947365 /nfs/dbraw/zinc/94/73/65/531947365.db2.gz HYPIXKMFJMJLIY-NSHDSACASA-N 1 0 399.289 1.651 20 0 GDADRO CC(C)(C)n1cc(Br)c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)n1 ZINC000627271456 531947627 /nfs/dbraw/zinc/94/76/27/531947627.db2.gz WCYPAEITHNFQIN-RYUDHWBXSA-N 1 0 385.306 1.682 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419658437 531948299 /nfs/dbraw/zinc/94/82/99/531948299.db2.gz XEASQQSGJIZAAQ-KGLIPLIRSA-N 1 0 395.301 1.012 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)C[C@@H]1C[NH3+] ZINC000419652233 531948519 /nfs/dbraw/zinc/94/85/19/531948519.db2.gz VJUQXQASVUXWOC-UWVGGRQHSA-N 1 0 378.420 1.264 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)C[C@H]1C[NH3+] ZINC000419652234 531948544 /nfs/dbraw/zinc/94/85/44/531948544.db2.gz VJUQXQASVUXWOC-VHSXEESVSA-N 1 0 378.420 1.264 20 0 GDADRO CCc1cnc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000627392641 531950690 /nfs/dbraw/zinc/95/06/90/531950690.db2.gz AZKMAOLVZKSHFX-KOLCDFICSA-N 1 0 378.420 1.307 20 0 GDADRO CCc1cnc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000627392643 531951319 /nfs/dbraw/zinc/95/13/19/531951319.db2.gz AZKMAOLVZKSHFX-ONGXEEELSA-N 1 0 378.420 1.307 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000284352412 531951417 /nfs/dbraw/zinc/95/14/17/531951417.db2.gz QEMXOAXWWAUTMB-NSHDSACASA-N 1 0 391.921 1.669 20 0 GDADRO C[C@H](Oc1ccc(I)cc1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597653896 531951527 /nfs/dbraw/zinc/95/15/27/531951527.db2.gz NSPTZMHZMINVOQ-CMPLNLGQSA-N 1 0 392.237 1.097 20 0 GDADRO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000270904832 531940016 /nfs/dbraw/zinc/94/00/16/531940016.db2.gz KIISJPNDEHOOLM-OLZOCXBDSA-N 1 0 387.889 1.109 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000627593913 531958945 /nfs/dbraw/zinc/95/89/45/531958945.db2.gz HLZIIYRALMEZFH-CVEARBPZSA-N 1 0 387.933 1.748 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(SC)cc2)CC1 ZINC000572149066 531959749 /nfs/dbraw/zinc/95/97/49/531959749.db2.gz QLOGNYUYBFXRCO-HNNXBMFYSA-N 1 0 388.555 1.552 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419699903 531959798 /nfs/dbraw/zinc/95/97/98/531959798.db2.gz AHHJMWZDFPRXGF-BLLLJJGKSA-N 1 0 396.329 1.988 20 0 GDADRO O=C(NCc1cc(Br)cc2c1OCC2)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419673250 531952088 /nfs/dbraw/zinc/95/20/88/531952088.db2.gz IMFLYIGLXPMFJU-CQSZACIVSA-N 1 0 396.285 1.259 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000419673911 531952299 /nfs/dbraw/zinc/95/22/99/531952299.db2.gz NCZLGAZOUBRAHH-SECBINFHSA-N 1 0 390.253 1.992 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000419672824 531952351 /nfs/dbraw/zinc/95/23/51/531952351.db2.gz HWSIUFISFXUZBE-NSHDSACASA-N 1 0 396.285 1.068 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000627473504 531953881 /nfs/dbraw/zinc/95/38/81/531953881.db2.gz OIQRALKRELFQGQ-WFASDCNBSA-N 1 0 386.279 1.762 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CCOc2ccc(Br)cc2)C[NH2+]1 ZINC000627480047 531954038 /nfs/dbraw/zinc/95/40/38/531954038.db2.gz KICBMRHXDGRDFH-JSGCOSHPSA-N 1 0 398.301 1.543 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419684553 531955270 /nfs/dbraw/zinc/95/52/70/531955270.db2.gz YPVFOURIZBDVTL-IINYFYTJSA-N 1 0 396.285 1.114 20 0 GDADRO Cc1nn(C)c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1Br ZINC000369311355 531956185 /nfs/dbraw/zinc/95/61/85/531956185.db2.gz GIFLFZSHJBZWOG-UHFFFAOYSA-N 1 0 391.335 1.537 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419755494 531965123 /nfs/dbraw/zinc/96/51/23/531965123.db2.gz DFXRVCVHGVVOJY-OCCSQVGLSA-N 1 0 387.311 1.788 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271104364 531966125 /nfs/dbraw/zinc/96/61/25/531966125.db2.gz LZOYUVQXNWQTIB-DGCLKSJQSA-N 1 0 389.905 1.165 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000419762015 531966194 /nfs/dbraw/zinc/96/61/94/531966194.db2.gz QYXBHMNOGJWRRE-QWHCGFSZSA-N 1 0 385.295 1.509 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419784774 531969310 /nfs/dbraw/zinc/96/93/10/531969310.db2.gz VGUJPXSGFLTMON-MNOVXSKESA-N 1 0 384.274 1.455 20 0 GDADRO COCC[NH2+]CCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl ZINC000271119750 531969627 /nfs/dbraw/zinc/96/96/27/531969627.db2.gz JDQWYQBHWWVLJR-OAHLLOKOSA-N 1 0 387.933 1.544 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000457919746 531969846 /nfs/dbraw/zinc/96/98/46/531969846.db2.gz DNBZTUULDHLFGP-RBSFLKMASA-N 1 0 376.567 1.370 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000419788315 531970775 /nfs/dbraw/zinc/97/07/75/531970775.db2.gz BDQZYLGZOCWSJF-UONOGXRCSA-N 1 0 388.295 1.617 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000271138367 531971252 /nfs/dbraw/zinc/97/12/52/531971252.db2.gz XINFWYATFUSIRN-OLZOCXBDSA-N 1 0 392.930 1.793 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419812831 531972568 /nfs/dbraw/zinc/97/25/68/531972568.db2.gz IDKRBTOHDNXTAU-YNEHKIRRSA-N 1 0 382.302 1.705 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000573000157 531973913 /nfs/dbraw/zinc/97/39/13/531973913.db2.gz QSDDMYNXIXYSLO-INIZCTEOSA-N 1 0 387.889 1.681 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000419819661 531974419 /nfs/dbraw/zinc/97/44/19/531974419.db2.gz NEOWNWFUTBQJCI-CYBMUJFWSA-N 1 0 396.329 1.959 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C(=O)NCCCC[NH3+] ZINC000419834087 531974820 /nfs/dbraw/zinc/97/48/20/531974820.db2.gz RCKYRMABLJJEAU-UHFFFAOYSA-N 1 0 399.289 1.057 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCC2(F)F)cc[nH+]1 ZINC000656382115 531977031 /nfs/dbraw/zinc/97/70/31/531977031.db2.gz ZSUTYHOXYVWCOK-CYBMUJFWSA-N 1 0 397.469 1.051 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1Br ZINC000419848474 531978610 /nfs/dbraw/zinc/97/86/10/531978610.db2.gz VSCLXVKNFTXYIU-SNVBAGLBSA-N 1 0 398.273 1.526 20 0 GDADRO CN1CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1=O ZINC000572356796 531964378 /nfs/dbraw/zinc/96/43/78/531964378.db2.gz VXBFTBOCAJHWRO-BXUZGUMPSA-N 1 0 389.265 1.786 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1F ZINC000598725199 531992380 /nfs/dbraw/zinc/99/23/80/531992380.db2.gz VERQFRQERKGNLU-PSLIRLAXSA-N 1 0 376.837 1.768 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000419988094 531992715 /nfs/dbraw/zinc/99/27/15/531992715.db2.gz XTUXBKOZQVRXCT-ZDUSSCGKSA-N 1 0 384.274 1.270 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000419979542 531992776 /nfs/dbraw/zinc/99/27/76/531992776.db2.gz PSDQLJVVDVYERG-LSDHHAIUSA-N 1 0 398.301 1.449 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000419976049 531993066 /nfs/dbraw/zinc/99/30/66/531993066.db2.gz BEONSWMFSDJOQK-XHDPSFHLSA-N 1 0 382.302 1.994 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1OC ZINC000598727551 531993343 /nfs/dbraw/zinc/99/33/43/531993343.db2.gz XJAJVFFPMZDHSN-HWPZZCPQSA-N 1 0 388.873 1.637 20 0 GDADRO COc1cc(OC)c(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1Br ZINC000574079611 531993885 /nfs/dbraw/zinc/99/38/85/531993885.db2.gz HLSXFSOHSNNSDC-SNVBAGLBSA-N 1 0 386.246 1.273 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCCNC1=O ZINC000630847102 531994954 /nfs/dbraw/zinc/99/49/54/531994954.db2.gz KSOYKELWCLRYLV-HNNXBMFYSA-N 1 0 382.302 1.866 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000420001944 531994365 /nfs/dbraw/zinc/99/43/65/531994365.db2.gz VWRLCLNALMXXBL-DTWKUNHWSA-N 1 0 375.313 1.573 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)CC2 ZINC000419858400 531979303 /nfs/dbraw/zinc/97/93/03/531979303.db2.gz HZUYATWEDPDFGI-OAHLLOKOSA-N 1 0 380.286 1.496 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419865060 531979437 /nfs/dbraw/zinc/97/94/37/531979437.db2.gz SVQVVWLWDRZXQN-OLZOCXBDSA-N 1 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/nfs/dbraw/zinc/98/32/37/531983237.db2.gz WXIZMIITHOPLSV-VXGBXAGGSA-N 1 0 380.286 1.763 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419901759 531983270 /nfs/dbraw/zinc/98/32/70/531983270.db2.gz UPHZVWNMTJPROY-AAEUAGOBSA-N 1 0 386.279 1.841 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000419905333 531983355 /nfs/dbraw/zinc/98/33/55/531983355.db2.gz WCWDJOQBFCXNPF-GHMZBOCLSA-N 1 0 388.331 1.973 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419905482 531983546 /nfs/dbraw/zinc/98/35/46/531983546.db2.gz YZTXNHJGDWYTOV-CABCVRRESA-N 1 0 380.286 1.981 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000419899593 531983989 /nfs/dbraw/zinc/98/39/89/531983989.db2.gz ZCUZXKKPZHFOLR-LBPRGKRZSA-N 1 0 385.295 1.510 20 0 GDADRO CS(=O)(=O)c1cc(C[NH2+]C[C@H](O)CN2CCCC2)cc(C(F)(F)F)c1 ZINC000629581258 531984247 /nfs/dbraw/zinc/98/42/47/531984247.db2.gz UDIMOCQORHOOMV-AWEZNQCLSA-N 1 0 380.432 1.655 20 0 GDADRO O[C@@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)Cn1cccn1 ZINC000573438490 531984341 /nfs/dbraw/zinc/98/43/41/531984341.db2.gz GSIVEDHXMSBOKK-INIZCTEOSA-N 1 0 376.258 1.982 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419907261 531984887 /nfs/dbraw/zinc/98/48/87/531984887.db2.gz BORFPYJTUYTSNH-CYBMUJFWSA-N 1 0 398.301 1.402 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419908142 531985161 /nfs/dbraw/zinc/98/51/61/531985161.db2.gz DHUOJAOOXSBLSL-NSHDSACASA-N 1 0 386.265 1.662 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000419913971 531985301 /nfs/dbraw/zinc/98/53/01/531985301.db2.gz NJKWZODKEUWMGD-LLVKDONJSA-N 1 0 398.276 1.589 20 0 GDADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000573558168 531986247 /nfs/dbraw/zinc/98/62/47/531986247.db2.gz DIPSBBQXGFUQFZ-GXFFZTMASA-N 1 0 385.237 1.936 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419925334 531986886 /nfs/dbraw/zinc/98/68/86/531986886.db2.gz OOJPBTOUZJPRGO-UHFFFAOYSA-N 1 0 380.286 1.275 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000419921767 531986935 /nfs/dbraw/zinc/98/69/35/531986935.db2.gz IPXBOQOALNOUIF-CQSZACIVSA-N 1 0 384.249 1.587 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419921215 531987091 /nfs/dbraw/zinc/98/70/91/531987091.db2.gz NFIWZHAMIAVJGQ-TZMCWYRMSA-N 1 0 394.313 1.838 20 0 GDADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419930770 531988293 /nfs/dbraw/zinc/98/82/93/531988293.db2.gz YWIZPPHWBUQNGK-ABAIWWIYSA-N 1 0 396.285 1.073 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000419948202 531989633 /nfs/dbraw/zinc/98/96/33/531989633.db2.gz YVSYEXSKLYTRLW-RISCZKNCSA-N 1 0 384.274 1.060 20 0 GDADRO CN(CC(=O)N[C@H](CC[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Cl)s1 ZINC000573791198 531990199 /nfs/dbraw/zinc/99/01/99/531990199.db2.gz NVLAMSUWAKRVJD-SSDOTTSWSA-N 1 0 393.840 1.418 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCSC[C@H]1c1nccs1)C1CCCCC1 ZINC000419967539 531991032 /nfs/dbraw/zinc/99/10/32/531991032.db2.gz OHSHGJNVNBCAST-KBPBESRZSA-N 1 0 382.555 1.783 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000419960386 531991084 /nfs/dbraw/zinc/99/10/84/531991084.db2.gz RNRYYNJVNZPTAH-AWEZNQCLSA-N 1 0 398.301 1.660 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 ZINC000420016007 531996126 /nfs/dbraw/zinc/99/61/26/531996126.db2.gz MHNYLCWDNWMECX-CABZTGNLSA-N 1 0 386.315 1.908 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cs1 ZINC000299529869 531996865 /nfs/dbraw/zinc/99/68/65/531996865.db2.gz YZYZEWKVBBRHII-UHFFFAOYSA-N 1 0 389.568 1.487 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420028168 531997593 /nfs/dbraw/zinc/99/75/93/531997593.db2.gz DMUSMBXJAWSLQD-OAHLLOKOSA-N 1 0 394.313 1.793 20 0 GDADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420026781 531997882 /nfs/dbraw/zinc/99/78/82/531997882.db2.gz BLAOWSFHKADLIE-APPDUMDISA-N 1 0 390.311 1.931 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000657058617 531994983 /nfs/dbraw/zinc/99/49/83/531994983.db2.gz RWDVEILFEXMEGJ-ZDUSSCGKSA-N 1 0 389.543 1.088 20 0 GDADRO CSc1ccc([C@H](CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)[NH+](C)C)cc1 ZINC000458905165 531998743 /nfs/dbraw/zinc/99/87/43/531998743.db2.gz VALMXQYAWOMJOJ-GJZGRUSLSA-N 1 0 386.543 1.084 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420109038 532002319 /nfs/dbraw/zinc/00/23/19/532002319.db2.gz VCUOSAASYHVXNL-KRWDZBQOSA-N 1 0 382.302 1.913 20 0 GDADRO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCc2ccc(Br)cc21 ZINC000574905387 532002717 /nfs/dbraw/zinc/00/27/17/532002717.db2.gz QXVJVHBTFHGNOB-GOSISDBHSA-N 1 0 392.297 1.940 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000631664615 532002737 /nfs/dbraw/zinc/00/27/37/532002737.db2.gz QJQPLNPPPBJKRM-MRXNPFEDSA-N 1 0 387.571 1.527 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000420109823 532002884 /nfs/dbraw/zinc/00/28/84/532002884.db2.gz DYUVEIVXMRTRCH-QMTHXVAHSA-N 1 0 386.265 1.661 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)oc1C ZINC000599101062 532004925 /nfs/dbraw/zinc/00/49/25/532004925.db2.gz MDNJIZCYFIAJHT-GXSJLCMTSA-N 1 0 384.376 1.522 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1F ZINC000599101565 532004735 /nfs/dbraw/zinc/00/47/35/532004735.db2.gz RAFIOIXLJHBRTR-AXFHLTTASA-N 1 0 376.425 1.745 20 0 GDADRO COC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000599101682 532005316 /nfs/dbraw/zinc/00/53/16/532005316.db2.gz NYKVYQNSUSJOKU-DGCLKSJQSA-N 1 0 380.388 1.621 20 0 GDADRO COCc1csc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000657374394 532005891 /nfs/dbraw/zinc/00/58/91/532005891.db2.gz MSKHLWXMSGOSSP-UHFFFAOYSA-N 1 0 384.527 1.571 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000420141213 532006268 /nfs/dbraw/zinc/00/62/68/532006268.db2.gz ZAUUPFUIEYJMLN-GXFFZTMASA-N 1 0 384.274 1.455 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599102923 532006692 /nfs/dbraw/zinc/00/66/92/532006692.db2.gz RDCCZGMONKCJKT-YUMQZZPRSA-N 1 0 387.405 1.078 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cc(F)ccc2I)CC1 ZINC000299592229 532006836 /nfs/dbraw/zinc/00/68/36/532006836.db2.gz FXWFUGXQTLCPQQ-UHFFFAOYSA-N 1 0 391.228 1.408 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)c1OC ZINC000599098764 532005217 /nfs/dbraw/zinc/00/52/17/532005217.db2.gz AIVDAIAAJCMQDN-ZDUSSCGKSA-N 1 0 390.889 1.754 20 0 GDADRO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000599088755 532005255 /nfs/dbraw/zinc/00/52/55/532005255.db2.gz MOILPLPTAXBFBK-HNNXBMFYSA-N 1 0 383.286 1.965 20 0 GDADRO C[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271373764 532008517 /nfs/dbraw/zinc/00/85/17/532008517.db2.gz CCSLKFJTRBMUBF-CJNGLKHVSA-N 1 0 390.527 1.569 20 0 GDADRO O=C(NCC[NH2+]Cc1ccnn1CC1CC1)c1ccc(Br)cn1 ZINC000657563188 532008175 /nfs/dbraw/zinc/00/81/75/532008175.db2.gz IFJHRPVDXQXZKB-UHFFFAOYSA-N 1 0 378.274 1.970 20 0 GDADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420201374 532009238 /nfs/dbraw/zinc/00/92/38/532009238.db2.gz OKKBNOGNQMHEFH-GWCFXTLKSA-N 1 0 386.279 1.544 20 0 GDADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000657578560 532010531 /nfs/dbraw/zinc/01/05/31/532010531.db2.gz UXLWPOHJVLXNPS-GUTXKFCHSA-N 1 0 376.906 1.643 20 0 GDADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000657596707 532012199 /nfs/dbraw/zinc/01/21/99/532012199.db2.gz ISHANJFRVBOYKS-MRXNPFEDSA-N 1 0 377.890 1.391 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1F ZINC000420445320 532012694 /nfs/dbraw/zinc/01/26/94/532012694.db2.gz FDJJIUVMOFGWGW-CYBMUJFWSA-N 1 0 381.495 1.239 20 0 GDADRO O=c1[nH]c2cc(Br)c(S(=O)(=O)N[C@@H]3CCCC[NH2+]C3)cc2[nH]1 ZINC000420449755 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1.123 20 0 GDADRO O=C(N[C@H]1CSc2ccc(Br)cc21)N1CCOC2(C[NH2+]C2)C1 ZINC000576254567 532020395 /nfs/dbraw/zinc/02/03/95/532020395.db2.gz OMFZAXOTDVWQKL-LBPRGKRZSA-N 1 0 384.299 1.980 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632275496 532019645 /nfs/dbraw/zinc/01/96/45/532019645.db2.gz QVFFCBHILKEKSV-GFCCVEGCSA-N 1 0 395.294 1.680 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000420468400 532020728 /nfs/dbraw/zinc/02/07/28/532020728.db2.gz UJMYFJKZLLTLNM-LBPRGKRZSA-N 1 0 381.420 1.630 20 0 GDADRO CN(C)S(=O)(=O)NCC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000459544462 532020770 /nfs/dbraw/zinc/02/07/70/532020770.db2.gz ZQOIMHFQVOPZPP-OAHLLOKOSA-N 1 0 391.921 1.383 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420485120 532021294 /nfs/dbraw/zinc/02/12/94/532021294.db2.gz ZGYGQOAEZFCCLD-JQWIXIFHSA-N 1 0 389.905 1.912 20 0 GDADRO CN1CCO[C@@H](CS(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)C1 ZINC000632300212 532023653 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GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000285678320 532105113 /nfs/dbraw/zinc/10/51/13/532105113.db2.gz FSMBMCZVAPJRMU-MRXNPFEDSA-N 1 0 386.290 1.675 20 0 GDADRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000285637312 532100850 /nfs/dbraw/zinc/10/08/50/532100850.db2.gz ODKKUZGFNHAECY-CVEARBPZSA-N 1 0 390.933 1.573 20 0 GDADRO CN(CC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)C(=O)c1ccc(Br)o1 ZINC000425056025 532116502 /nfs/dbraw/zinc/11/65/02/532116502.db2.gz JEZWJORPCVBOAJ-NWDGAFQWSA-N 1 0 384.274 1.667 20 0 GDADRO O=C(CCn1cc(Br)ccc1=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330183803 532117642 /nfs/dbraw/zinc/11/76/42/532117642.db2.gz IENDQQRYPRQBSG-AWEZNQCLSA-N 1 0 398.301 1.182 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1CN(C)CCO1 ZINC000425095219 532118120 /nfs/dbraw/zinc/11/81/20/532118120.db2.gz AQWBPBXSCUYLKP-INIZCTEOSA-N 1 0 399.333 1.716 20 0 GDADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000374389390 532119898 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20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000273205534 532139753 /nfs/dbraw/zinc/13/97/53/532139753.db2.gz FXFULYSBJIDNOO-KGLIPLIRSA-N 1 0 376.906 1.389 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)C[C@@H]21 ZINC000374627687 532131056 /nfs/dbraw/zinc/13/10/56/532131056.db2.gz CXRFJWZANJSVRU-BARDWOONSA-N 1 0 383.539 1.487 20 0 GDADRO CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000330861675 532131579 /nfs/dbraw/zinc/13/15/79/532131579.db2.gz PYLWISVBSJILLU-MLGOLLRUSA-N 1 0 384.274 1.835 20 0 GDADRO O=C1CCN(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000273084100 532133202 /nfs/dbraw/zinc/13/32/02/532133202.db2.gz MSMCICLNAUWTGP-UHFFFAOYSA-N 1 0 385.555 1.677 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)s1 ZINC000374776644 532136835 /nfs/dbraw/zinc/13/68/35/532136835.db2.gz GFXPZXLTXOJAKI-BDAKNGLRSA-N 1 0 384.932 1.320 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(S(=O)(=O)N(C)C)s3)C2)CC1 ZINC000425402213 532137783 /nfs/dbraw/zinc/13/77/83/532137783.db2.gz IHZHUYWGNPDSHR-OAHLLOKOSA-N 1 0 386.587 1.210 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000331836983 532153586 /nfs/dbraw/zinc/15/35/86/532153586.db2.gz OUMOBVXMZWOCAK-XQQFMLRXSA-N 1 0 387.527 1.956 20 0 GDADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000273526677 532154818 /nfs/dbraw/zinc/15/48/18/532154818.db2.gz ZTTVVUONGYCYBP-RISCZKNCSA-N 1 0 394.946 1.551 20 0 GDADRO Cc1ncc(S(=O)(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000273229004 532141562 /nfs/dbraw/zinc/14/15/62/532141562.db2.gz RKPAWLDSFRIYQS-UHFFFAOYSA-N 1 0 381.523 1.887 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000273384026 532147726 /nfs/dbraw/zinc/14/77/26/532147726.db2.gz BSSQNTXLUKTMOC-LBPRGKRZSA-N 1 0 392.518 1.580 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cc(F)c(F)cc1Br ZINC000286625630 532165611 /nfs/dbraw/zinc/16/56/11/532165611.db2.gz IGLGJKIWOGNRPD-NSHDSACASA-N 1 0 391.260 1.772 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccncc2I)CCO1 ZINC000273695950 532165870 /nfs/dbraw/zinc/16/58/70/532165870.db2.gz HXOWIBVBAJXTHB-SNVBAGLBSA-N 1 0 390.225 1.481 20 0 GDADRO CC1(c2cccc(Br)c2)CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000332140840 532165994 /nfs/dbraw/zinc/16/59/94/532165994.db2.gz NGJFKASXBMJVQG-HNNXBMFYSA-N 1 0 394.313 1.889 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1OC ZINC000286637118 532166095 /nfs/dbraw/zinc/16/60/95/532166095.db2.gz ITGUZRHVJDDABV-VIFPVBQESA-N 1 0 381.292 1.695 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1CC[C@H](C[NH3+])C1)CC2 ZINC000332157532 532167417 /nfs/dbraw/zinc/16/74/17/532167417.db2.gz MWDQTBQUFAUPSB-GFCCVEGCSA-N 1 0 380.286 1.449 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000332158754 532167577 /nfs/dbraw/zinc/16/75/77/532167577.db2.gz NFXRFGAHNMRGGF-GHMZBOCLSA-N 1 0 398.276 1.669 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C[C@H]1[NH3+] ZINC000332177416 532168445 /nfs/dbraw/zinc/16/84/45/532168445.db2.gz RINKDTVCCZZDED-LKFCYVNXSA-N 1 0 384.249 1.279 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375255794 532156400 /nfs/dbraw/zinc/15/64/00/532156400.db2.gz JAYGYFFYISNLHI-UHFFFAOYSA-N 1 0 391.946 1.672 20 0 GDADRO COC(=O)c1ccc(OCC[N@@H+](CCCO)CC(OC)OC)c(Cl)c1 ZINC000273622166 532160427 /nfs/dbraw/zinc/16/04/27/532160427.db2.gz QTNCCSRAAGPACJ-UHFFFAOYSA-N 1 0 375.849 1.809 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000375378545 532162857 /nfs/dbraw/zinc/16/28/57/532162857.db2.gz MKCBRZIEURHWBN-NEPJUHHUSA-N 1 0 381.274 1.725 20 0 GDADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000273686773 532165078 /nfs/dbraw/zinc/16/50/78/532165078.db2.gz LBRCYDZZGRCLIJ-HUUCEWRRSA-N 1 0 386.543 1.412 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)Nc1ccncc1I ZINC000273801964 532171511 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O=C(Nc1ccccc1I)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332552615 532194648 /nfs/dbraw/zinc/19/46/48/532194648.db2.gz KQVXNHZOIAQGCN-PWSUYJOCSA-N 1 0 399.232 1.440 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000287109272 532195507 /nfs/dbraw/zinc/19/55/07/532195507.db2.gz JUPVLDVCJRQYDO-NXEZZACHSA-N 1 0 378.420 1.767 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000376096893 532195563 /nfs/dbraw/zinc/19/55/63/532195563.db2.gz OZBQUUITEGNYDD-CHWSQXEVSA-N 1 0 387.527 1.204 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1CCC([NH3+])CC1)CC2 ZINC000332570054 532195657 /nfs/dbraw/zinc/19/56/57/532195657.db2.gz ARNNATVOXOYMOK-UHFFFAOYSA-N 1 0 380.286 1.592 20 0 GDADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332572233 532195911 /nfs/dbraw/zinc/19/59/11/532195911.db2.gz WXIILWIOYBCAKA-IUCAKERBSA-N 1 0 388.212 1.734 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)ccc1F ZINC000376157676 532197177 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C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@@H]1[NH3+] ZINC000332710544 532207491 /nfs/dbraw/zinc/20/74/91/532207491.db2.gz UXXBOGYBCCFYDO-UGFHNGPFSA-N 1 0 395.301 1.933 20 0 GDADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@@H]1[NH3+] ZINC000332709497 532207747 /nfs/dbraw/zinc/20/77/47/532207747.db2.gz UXXBOGYBCCFYDO-BYCMXARLSA-N 1 0 395.301 1.933 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1Br ZINC000274460578 532212305 /nfs/dbraw/zinc/21/23/05/532212305.db2.gz XGSSBDNTSFOHJW-UHFFFAOYSA-N 1 0 384.274 1.269 20 0 GDADRO O=C([C@@H]1SCCc2sccc21)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428614526 532212686 /nfs/dbraw/zinc/21/26/86/532212686.db2.gz CHKOWNDYQJJOCE-XJKSGUPXSA-N 1 0 379.551 1.749 20 0 GDADRO O=C(c1cc(F)cc(Br)c1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428623764 532213685 /nfs/dbraw/zinc/21/36/85/532213685.db2.gz SRAVDFULQHUBGA-GFCCVEGCSA-N 1 0 398.276 1.872 20 0 GDADRO O=C(c1cc(F)cc(Br)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428623766 532213753 /nfs/dbraw/zinc/21/37/53/532213753.db2.gz SRAVDFULQHUBGA-LBPRGKRZSA-N 1 0 398.276 1.872 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000274521033 532215023 /nfs/dbraw/zinc/21/50/23/532215023.db2.gz YIRMAFHQFHRVHG-UHFFFAOYSA-N 1 0 383.539 1.534 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccsc1Br ZINC000287506373 532219263 /nfs/dbraw/zinc/21/92/63/532219263.db2.gz HWXQOKWUQKEZOY-UHFFFAOYSA-N 1 0 388.331 1.927 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000376246613 532201199 /nfs/dbraw/zinc/20/11/99/532201199.db2.gz FNMHRPSBMOEIMJ-CYBMUJFWSA-N 1 0 390.912 1.665 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000287234894 532203291 /nfs/dbraw/zinc/20/32/91/532203291.db2.gz SJHQBWXVGACVJZ-NSHDSACASA-N 1 0 377.894 1.835 20 0 GDADRO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333262654 532227301 /nfs/dbraw/zinc/22/73/01/532227301.db2.gz GJFMFTQJONQEOP-JMSVASOKSA-N 1 0 378.270 1.622 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333258083 532227388 /nfs/dbraw/zinc/22/73/88/532227388.db2.gz DNGGRDOKGUTLFM-GFCCVEGCSA-N 1 0 398.305 1.896 20 0 GDADRO Cc1c(C(=O)N2CCO[C@@H](C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000274722623 532227820 /nfs/dbraw/zinc/22/78/20/532227820.db2.gz BKXOREWJHLRDQH-AWEZNQCLSA-N 1 0 379.258 1.743 20 0 GDADRO NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000333292689 532228842 /nfs/dbraw/zinc/22/88/42/532228842.db2.gz GAHBNWPPLQZUEY-DZGCQCFKSA-N 1 0 386.543 1.033 20 0 GDADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000429408366 532228888 /nfs/dbraw/zinc/22/88/88/532228888.db2.gz MXPODYRLMOWSNT-MRXNPFEDSA-N 1 0 380.286 1.621 20 0 GDADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376780639 532229086 /nfs/dbraw/zinc/22/90/86/532229086.db2.gz YGZKRSFTXCOHIR-LBPRGKRZSA-N 1 0 381.395 1.513 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cscc3Br)CC2)C1=O ZINC000333406250 532233135 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GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000333776616 532249678 /nfs/dbraw/zinc/24/96/78/532249678.db2.gz DAJGYDFVHRLMIH-NILFDRSVSA-N 1 0 395.301 1.772 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000333861085 532252855 /nfs/dbraw/zinc/25/28/55/532252855.db2.gz SBOBHACCZFPWOM-CYBMUJFWSA-N 1 0 386.905 1.108 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000430620871 532252952 /nfs/dbraw/zinc/25/29/52/532252952.db2.gz ILCMNVWVNBSQSX-UHFFFAOYSA-N 1 0 393.285 1.968 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cnc3scc(C)n3c2=O)C[C@H]1[NH+]1CCCC1 ZINC000275150596 532270691 /nfs/dbraw/zinc/27/06/91/532270691.db2.gz RZXYCZMDWJKJSA-ZIAGYGMSSA-N 1 0 378.523 1.716 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)C1 ZINC000377750763 532271961 /nfs/dbraw/zinc/27/19/61/532271961.db2.gz WKTSHOAQSUMBSY-CQSZACIVSA-N 1 0 375.897 1.880 20 0 GDADRO O=C(COC1C[NH2+]C1)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000430699868 532254491 /nfs/dbraw/zinc/25/44/91/532254491.db2.gz JPHDNFLUNZMJLX-LLVKDONJSA-N 1 0 397.273 1.010 20 0 GDADRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430705014 532254727 /nfs/dbraw/zinc/25/47/27/532254727.db2.gz KKRXYSPPQFHZGF-SNVBAGLBSA-N 1 0 392.319 1.663 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)CC[NH2+]1 ZINC000333897030 532254863 /nfs/dbraw/zinc/25/48/63/532254863.db2.gz ZFBFGDZKQYEHQV-LALPHHSUSA-N 1 0 395.301 1.772 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430717691 532255826 /nfs/dbraw/zinc/25/58/26/532255826.db2.gz ZNNWUKSUCXPSAF-XHVZSJERSA-N 1 0 393.303 1.145 20 0 GDADRO C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430731025 532255932 /nfs/dbraw/zinc/25/59/32/532255932.db2.gz KUJNXRXKODHOLF-QDDONVENSA-N 1 0 397.360 1.904 20 0 GDADRO CCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430723905 532256139 /nfs/dbraw/zinc/25/61/39/532256139.db2.gz PUWKIGLDANYQFA-KOLCDFICSA-N 1 0 381.292 1.145 20 0 GDADRO C[C@@H]1CN(CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000430938004 532258449 /nfs/dbraw/zinc/25/84/49/532258449.db2.gz GHLBJUWEDZXFHP-CZUORRHYSA-N 1 0 384.318 1.955 20 0 GDADRO C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H](c1cccs1)N1CCOCC1 ZINC000431140436 532260959 /nfs/dbraw/zinc/26/09/59/532260959.db2.gz QVUUBBZAFZAYKX-KGLIPLIRSA-N 1 0 382.448 1.993 20 0 GDADRO CCS(=O)(=O)C1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000334104225 532263145 /nfs/dbraw/zinc/26/31/45/532263145.db2.gz VDBMTVBURGODAQ-HUUCEWRRSA-N 1 0 375.535 1.094 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000288163573 532269310 /nfs/dbraw/zinc/26/93/10/532269310.db2.gz OLHPDLOQAUCEFM-UHFFFAOYSA-N 1 0 377.304 1.325 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000275148135 532269616 /nfs/dbraw/zinc/26/96/16/532269616.db2.gz RJQZSIYWRHBSDU-JKSUJKDBSA-N 1 0 383.539 1.127 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000378224543 532283406 /nfs/dbraw/zinc/28/34/06/532283406.db2.gz KBVSFACVAYVRKU-DOTOQJQBSA-N 1 0 386.539 1.384 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)CC3CC3)nc12 ZINC000288494773 532292878 /nfs/dbraw/zinc/29/28/78/532292878.db2.gz HOCGTTQHOWMNNP-UHFFFAOYSA-N 1 0 379.258 1.890 20 0 GDADRO COCCC[N@H+](CCO)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000275452522 532295947 /nfs/dbraw/zinc/29/59/47/532295947.db2.gz LZDZBCRMNRPNKZ-UHFFFAOYSA-N 1 0 379.320 1.800 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)C[C@@]1(C)C[NH3+] ZINC000388317342 532296169 /nfs/dbraw/zinc/29/61/69/532296169.db2.gz LRWFXHCSIJUFIK-ZWNOBZJWSA-N 1 0 394.278 1.897 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)cc1Br ZINC000389944148 532297310 /nfs/dbraw/zinc/29/73/10/532297310.db2.gz YNSYKLHWOQCRTJ-JTQLQIEISA-N 1 0 379.276 1.115 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccccc1I ZINC000288638730 532301293 /nfs/dbraw/zinc/30/12/93/532301293.db2.gz CHCDFXQCWPKALB-UHFFFAOYSA-N 1 0 389.281 1.905 20 0 GDADRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000400296431 532304346 /nfs/dbraw/zinc/30/43/46/532304346.db2.gz ZODPGZGJCXMBNZ-LBPRGKRZSA-N 1 0 380.251 1.415 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cncc(Br)c1 ZINC000288720241 532304389 /nfs/dbraw/zinc/30/43/89/532304389.db2.gz YQZPHYOPINVRFZ-UHFFFAOYSA-N 1 0 379.324 1.006 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000400299759 532304855 /nfs/dbraw/zinc/30/48/55/532304855.db2.gz RAUQOCGAFNMYJE-NEPJUHHUSA-N 1 0 397.324 1.747 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275683645 532305667 /nfs/dbraw/zinc/30/56/67/532305667.db2.gz CNIKWLZUWXQDHS-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO O=c1cc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)nc2ccc(Br)cn12 ZINC000404697293 532306229 /nfs/dbraw/zinc/30/62/29/532306229.db2.gz URQJLAFICHEYPY-NSHDSACASA-N 1 0 389.257 1.564 20 0 GDADRO COCCN1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2Br)C1 ZINC000275696348 532306462 /nfs/dbraw/zinc/30/64/62/532306462.db2.gz RVMNDRABCZZEKK-GFCCVEGCSA-N 1 0 377.304 1.757 20 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/nfs/dbraw/zinc/30/92/17/532309217.db2.gz NIJTZAVVXRUKLY-STQMWFEESA-N 1 0 388.310 1.132 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(Br)n1 ZINC000289087278 532315394 /nfs/dbraw/zinc/31/53/94/532315394.db2.gz OYPHEKMAHHNPDP-NWDGAFQWSA-N 1 0 381.274 1.868 20 0 GDADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289120038 532315921 /nfs/dbraw/zinc/31/59/21/532315921.db2.gz DKBJFULQQDWMJS-LBPRGKRZSA-N 1 0 378.274 1.445 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000275959757 532316037 /nfs/dbraw/zinc/31/60/37/532316037.db2.gz BCXOZAWLOSBPKJ-CQSZACIVSA-N 1 0 378.541 1.559 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289142974 532316780 /nfs/dbraw/zinc/31/67/80/532316780.db2.gz FTKWWSVWHAOZQB-KRWDZBQOSA-N 1 0 380.286 1.781 20 0 GDADRO O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289305188 532321210 /nfs/dbraw/zinc/32/12/10/532321210.db2.gz SOLPYBYYSBMKOQ-QGZVFWFLSA-N 1 0 378.523 1.591 20 0 GDADRO CC[C@H]([NH2+]CCCCCS(=O)(=O)CC)c1cccc(S(N)(=O)=O)c1 ZINC000276396818 532328576 /nfs/dbraw/zinc/32/85/76/532328576.db2.gz JRXCJENIFBITCP-INIZCTEOSA-N 1 0 376.544 1.980 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000289597883 532329049 /nfs/dbraw/zinc/32/90/49/532329049.db2.gz UTPZTGPUXMKEHX-NSHDSACASA-N 1 0 387.303 1.468 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000289838527 532332879 /nfs/dbraw/zinc/33/28/79/532332879.db2.gz LQJKRNIYGBDTQT-GFCCVEGCSA-N 1 0 393.506 1.302 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000290015521 532335485 /nfs/dbraw/zinc/33/54/85/532335485.db2.gz FAMLHZNFGVFHDN-AWEZNQCLSA-N 1 0 385.555 1.302 20 0 GDADRO O=C(CNC(=O)NCc1ccco1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000071998644 136166953 /nfs/dbraw/zinc/16/69/53/136166953.db2.gz XCHWJWSWLCFXAK-UHFFFAOYSA-N 1 0 399.495 1.407 20 0 GDADRO CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)c1 ZINC000515389589 570523760 /nfs/dbraw/zinc/52/37/60/570523760.db2.gz IVCCVLYDRLTPQV-IBGZPJMESA-N 1 0 397.523 1.981 20 0 GDADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C)s1 ZINC000333657614 570828870 /nfs/dbraw/zinc/82/88/70/570828870.db2.gz KYCQHEKEPMIEOV-LSDHHAIUSA-N 1 0 398.554 1.274 20 0 GDADRO C[NH+]1CCC(CNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)(N2CCOCC2)CC1 ZINC000334052184 570955792 /nfs/dbraw/zinc/95/57/92/570955792.db2.gz SNKVNVBXTUCOGK-PWRODBHTSA-N 1 0 398.551 1.811 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737521822 598852595 /nfs/dbraw/zinc/85/25/95/598852595.db2.gz CECPGVXRZCXCPG-INIZCTEOSA-N 1 0 393.499 1.809 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000737523834 598853519 /nfs/dbraw/zinc/85/35/19/598853519.db2.gz JQYMSPRQPAEFDC-QGZVFWFLSA-N 1 0 381.488 1.663 20 0 GDADRO CC[C@H]1CN([C@@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000736407391 598861940 /nfs/dbraw/zinc/86/19/40/598861940.db2.gz GPMGJIQFTXYXCE-DLBZAZTESA-N 1 0 388.472 1.123 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000738331724 598877705 /nfs/dbraw/zinc/87/77/05/598877705.db2.gz VSKHAYHYVDCPRI-OAHLLOKOSA-N 1 0 376.486 1.114 20 0 GDADRO CC(C)[C@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)[NH+]1CCN(C)CC1 ZINC000735707083 598955031 /nfs/dbraw/zinc/95/50/31/598955031.db2.gz GEZTYWUYQGETKC-INIZCTEOSA-N 1 0 381.488 1.494 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736529934 598956062 /nfs/dbraw/zinc/95/60/62/598956062.db2.gz BRQCHKHQVQOIFA-UHFFFAOYSA-N 1 0 396.517 1.154 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000737221505 599005013 /nfs/dbraw/zinc/00/50/13/599005013.db2.gz NFKDCYCDDVPRQJ-GJZGRUSLSA-N 1 0 376.486 1.422 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC000736564771 599007790 /nfs/dbraw/zinc/00/77/90/599007790.db2.gz DORUSCFNYXBPDE-AAEUAGOBSA-N 1 0 382.465 1.499 20 0 GDADRO OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392721 599011233 /nfs/dbraw/zinc/01/12/33/599011233.db2.gz GXFSTZODYQQGAC-UXHICEINSA-N 1 0 378.480 1.839 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)Cc1ccccc1 ZINC000736533520 599023052 /nfs/dbraw/zinc/02/30/52/599023052.db2.gz HWSFNCWRZOYAQL-QGZVFWFLSA-N 1 0 379.468 1.945 20 0 GDADRO CCC[N@H+](C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736472638 599040761 /nfs/dbraw/zinc/04/07/61/599040761.db2.gz RDMWSZJCRDCLAM-AWEZNQCLSA-N 1 0 389.485 1.049 20 0 GDADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000737739419 599070486 /nfs/dbraw/zinc/07/04/86/599070486.db2.gz PJEMXZZWWHGJBG-GOSISDBHSA-N 1 0 383.500 1.591 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736858208 599082879 /nfs/dbraw/zinc/08/28/79/599082879.db2.gz RKRADYCNPYJFBP-NSHDSACASA-N 1 0 384.893 1.482 20 0 GDADRO NC(=O)[C@@H]([NH2+]CCCN1CCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730212 599089545 /nfs/dbraw/zinc/08/95/45/599089545.db2.gz ICFXWTVPZAVAPW-SFHVURJKSA-N 1 0 377.452 1.436 20 0 GDADRO COc1ccc(C(C)(C)C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737072088 599095899 /nfs/dbraw/zinc/09/58/99/599095899.db2.gz JCAHTXRDLZSUEQ-KRWDZBQOSA-N 1 0 380.452 1.969 20 0 GDADRO Cc1nc(SCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737482259 599106996 /nfs/dbraw/zinc/10/69/96/599106996.db2.gz GKNYMUQBHNWOIR-QMTHXVAHSA-N 1 0 389.529 1.878 20 0 GDADRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736227242 599135295 /nfs/dbraw/zinc/13/52/95/599135295.db2.gz KIFPILKCFXOIIF-YPMHNXCESA-N 1 0 377.880 1.873 20 0 GDADRO COCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)no1 ZINC000821695268 599142113 /nfs/dbraw/zinc/14/21/13/599142113.db2.gz PYIMEUGHOCHRKW-UHFFFAOYSA-N 1 0 385.428 1.205 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736765106 599172640 /nfs/dbraw/zinc/17/26/40/599172640.db2.gz UIWMYNSCDQZRBM-UHFFFAOYSA-N 1 0 377.518 1.297 20 0 GDADRO CN1CCC(CNC(=O)Nc2cccc(-c3nn[nH]n3)c2)([NH+]2CCCCC2)CC1 ZINC000821621973 599246541 /nfs/dbraw/zinc/24/65/41/599246541.db2.gz NKWDXOSXJVMTHI-UHFFFAOYSA-N 1 0 398.515 1.939 20 0 GDADRO C[C@H](CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1)C[NH+]1CCCC1 ZINC000820261683 607299565 /nfs/dbraw/zinc/29/95/65/607299565.db2.gz OFWIPUPFCQZQOB-OAHLLOKOSA-N 1 0 399.499 1.824 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736237008 599271080 /nfs/dbraw/zinc/27/10/80/599271080.db2.gz NGEYBCGDASOYNC-MDZRGWNJSA-N 1 0 397.527 1.820 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000821687119 599276775 /nfs/dbraw/zinc/27/67/75/599276775.db2.gz PHKPTBQICWPWBI-UHFFFAOYSA-N 1 0 399.402 1.558 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820876493 607319879 /nfs/dbraw/zinc/31/98/79/607319879.db2.gz QZORNSOXHFOTCF-AWEZNQCLSA-N 1 0 387.488 1.822 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821623956 599291689 /nfs/dbraw/zinc/29/16/89/599291689.db2.gz WGGCNPNKSZBMEI-UHFFFAOYSA-N 1 0 399.377 1.464 20 0 GDADRO CC[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736403542 598232993 /nfs/dbraw/zinc/23/29/93/598232993.db2.gz WADJGVMXJZCYNK-ORAYPTAESA-N 1 0 383.456 1.713 20 0 GDADRO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nc(C)cc(C)c2-c2nn[nH]n2)CC1 ZINC000736529799 598236645 /nfs/dbraw/zinc/23/66/45/598236645.db2.gz RXWJQTVATZYMPH-UHFFFAOYSA-N 1 0 386.504 1.259 20 0 GDADRO CNC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736871345 598246052 /nfs/dbraw/zinc/24/60/52/598246052.db2.gz PUTQTXYCHTZSAB-CQSZACIVSA-N 1 0 391.863 1.449 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ncc(Cc3ccc(-c4nn[nH]n4)cc3)s2)C1 ZINC000736849635 598254198 /nfs/dbraw/zinc/25/41/98/598254198.db2.gz VDDIVWATKICBGL-CYBMUJFWSA-N 1 0 398.496 1.987 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)C1 ZINC000736846678 598258972 /nfs/dbraw/zinc/25/89/72/598258972.db2.gz AFCUAJVDBYADFH-CQSZACIVSA-N 1 0 392.467 1.015 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CCCCCC1 ZINC000736755607 598263650 /nfs/dbraw/zinc/26/36/50/598263650.db2.gz BEHNLEDUUJMBCA-UHFFFAOYSA-N 1 0 379.490 1.195 20 0 GDADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735875661 598270430 /nfs/dbraw/zinc/27/04/30/598270430.db2.gz YSLIRFHHEBJLQF-MSOLQXFVSA-N 1 0 399.499 1.650 20 0 GDADRO S=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccccc1-c1nn[nH]n1 ZINC000738401567 598278517 /nfs/dbraw/zinc/27/85/17/598278517.db2.gz UNCCRSBVWGEQSV-UHFFFAOYSA-N 1 0 387.513 1.798 20 0 GDADRO C[C@H](C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736236561 598284762 /nfs/dbraw/zinc/28/47/62/598284762.db2.gz LBPWEKJCDGHURH-RBSFLKMASA-N 1 0 384.488 1.172 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736236037 598285091 /nfs/dbraw/zinc/28/50/91/598285091.db2.gz FSAJCSWLWIOBQP-KFWWJZLASA-N 1 0 384.488 1.172 20 0 GDADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735685311 598299882 /nfs/dbraw/zinc/29/98/82/598299882.db2.gz UDBFDLBLXQPOOL-HNNXBMFYSA-N 1 0 399.499 1.680 20 0 GDADRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736409076 598300339 /nfs/dbraw/zinc/30/03/39/598300339.db2.gz CPUOTBJZSXRNGP-GJZGRUSLSA-N 1 0 399.499 1.822 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735986286 598303085 /nfs/dbraw/zinc/30/30/85/598303085.db2.gz QMURVQPOFHAFIN-ZDUSSCGKSA-N 1 0 390.467 1.178 20 0 GDADRO CCCC[N@H+](CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)C1CC1 ZINC000736457702 598334301 /nfs/dbraw/zinc/33/43/01/598334301.db2.gz YAONQIQHCQKRAU-UHFFFAOYSA-N 1 0 383.456 1.853 20 0 GDADRO Cc1nc(CN2CCC[C@@H]([N@H+](C)Cc3ccc(F)cc3-c3nn[nH]n3)C2)no1 ZINC000737478571 598347668 /nfs/dbraw/zinc/34/76/68/598347668.db2.gz UDEHAAXNIJUROR-OAHLLOKOSA-N 1 0 386.435 1.794 20 0 GDADRO Cc1nccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500065 598355807 /nfs/dbraw/zinc/35/58/07/598355807.db2.gz NJXWIFNMCIXPQF-IAGOWNOFSA-N 1 0 383.456 1.448 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737007866 598363421 /nfs/dbraw/zinc/36/34/21/598363421.db2.gz QFGWOFSYCXNQOU-INIZCTEOSA-N 1 0 390.513 1.327 20 0 GDADRO CCn1ccnc1CN1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736722811 598364581 /nfs/dbraw/zinc/36/45/81/598364581.db2.gz OTJYAVXEQPKBNM-UHFFFAOYSA-N 1 0 396.499 1.670 20 0 GDADRO O=C(CC[NH+]1CCC(Nc2cccnn2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737838861 598365092 /nfs/dbraw/zinc/36/50/92/598365092.db2.gz OAFXBSZDOVNXTR-UHFFFAOYSA-N 1 0 393.455 1.562 20 0 GDADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000735660807 598374993 /nfs/dbraw/zinc/37/49/93/598374993.db2.gz PIYMLPAGRKJDAQ-UONOGXRCSA-N 1 0 388.476 1.408 20 0 GDADRO CC1(C)CC[NH+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736212128 598385230 /nfs/dbraw/zinc/38/52/30/598385230.db2.gz ZHJHNNYCVSTYHS-UHFFFAOYSA-N 1 0 383.456 1.710 20 0 GDADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000735736759 598420664 /nfs/dbraw/zinc/42/06/64/598420664.db2.gz ZJAFULWGYKJEPY-YJBOKZPZSA-N 1 0 384.484 1.967 20 0 GDADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000735736752 598420767 /nfs/dbraw/zinc/42/07/67/598420767.db2.gz ZJAFULWGYKJEPY-CRAIPNDOSA-N 1 0 384.484 1.967 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736768941 598424105 /nfs/dbraw/zinc/42/41/05/598424105.db2.gz JYXKLQOVEPRJFN-UHFFFAOYSA-N 1 0 397.508 1.944 20 0 GDADRO O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000516706549 598424155 /nfs/dbraw/zinc/42/41/55/598424155.db2.gz XDSOJYLCIUTYSR-NSHDSACASA-N 1 0 382.877 1.379 20 0 GDADRO COC1CC[NH+](C(C)(C)CNC(=O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC000736963877 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O=C1[C@@H]([NH2+]C[C@@H]2CCCn3ccnc32)CCN1c1sccc1-c1nn[nH]n1 ZINC000823514192 606310360 /nfs/dbraw/zinc/31/03/60/606310360.db2.gz XMNHSKPUDZLMPC-AAEUAGOBSA-N 1 0 384.469 1.397 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@H](Cn3cncn3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823505017 606324127 /nfs/dbraw/zinc/32/41/27/606324127.db2.gz WVZSGJRZAGQNTG-TZMCWYRMSA-N 1 0 399.484 1.037 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821268391 606331786 /nfs/dbraw/zinc/33/17/86/606331786.db2.gz VUMNRXVOMJSTAE-TZMCWYRMSA-N 1 0 375.502 1.450 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000821702094 606376515 /nfs/dbraw/zinc/37/65/15/606376515.db2.gz HKHHAUJLPLNBND-INIZCTEOSA-N 1 0 389.456 1.524 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820706060 606394783 /nfs/dbraw/zinc/39/47/83/606394783.db2.gz XTVKQSGNBMRMPQ-GFCCVEGCSA-N 1 0 389.435 1.325 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821623204 606399507 /nfs/dbraw/zinc/39/95/07/606399507.db2.gz GHXZSYWALRAMDI-CABCVRRESA-N 1 0 387.419 1.030 20 0 GDADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000823336814 606400113 /nfs/dbraw/zinc/40/01/13/606400113.db2.gz AJMVRSYJOCILJO-ZDUSSCGKSA-N 1 0 387.419 1.031 20 0 GDADRO CC[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1ccccc1F ZINC000820907806 606427289 /nfs/dbraw/zinc/42/72/89/606427289.db2.gz HHHUTMRQDWJDIP-STQMWFEESA-N 1 0 386.435 1.691 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821581771 606484229 /nfs/dbraw/zinc/48/42/29/606484229.db2.gz UTOPTEHCAGJLOS-GHMZBOCLSA-N 1 0 384.893 1.671 20 0 GDADRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000822865081 606489656 /nfs/dbraw/zinc/48/96/56/606489656.db2.gz URRFTDUDCWJFQS-NSHDSACASA-N 1 0 380.399 1.946 20 0 GDADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000821600341 606500617 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/nfs/dbraw/zinc/27/44/73/650274473.db2.gz BMNDJNNGZYHVRG-AWEZNQCLSA-N 1 0 389.315 1.780 20 0 GDADRO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000536854392 650281936 /nfs/dbraw/zinc/28/19/36/650281936.db2.gz WTAZHUFHHOKYKE-AWEZNQCLSA-N 1 0 388.555 1.802 20 0 GDADRO CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000538523964 650313879 /nfs/dbraw/zinc/31/38/79/650313879.db2.gz VFVLQKAMDUUNMW-RWMBFGLXSA-N 1 0 385.555 1.612 20 0 GDADRO CC[NH+](CC)[C@H](C(=O)NCCS(N)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000538823363 650323453 /nfs/dbraw/zinc/32/34/53/650323453.db2.gz NEGJOETWMQBHRZ-ZDUSSCGKSA-N 1 0 381.420 1.493 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C2CCN(c3cnccn3)CC2)s1 ZINC000539049778 650327617 /nfs/dbraw/zinc/32/76/17/650327617.db2.gz YKRJUVSUXWPQRC-UHFFFAOYSA-N 1 0 381.527 1.383 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@H](CC(F)(F)F)c2ccccc2)cn1 ZINC000539282490 650332188 /nfs/dbraw/zinc/33/21/88/650332188.db2.gz XINYOESTAFNGSY-CQSZACIVSA-N 1 0 376.404 1.982 20 0 GDADRO C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000540723515 650368676 /nfs/dbraw/zinc/36/86/76/650368676.db2.gz QYLYVIFOSWSJCY-HUBLWGQQSA-N 1 0 386.514 1.892 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@](C)(O)CN3CCOCC3)cnc12 ZINC000541373443 650383234 /nfs/dbraw/zinc/38/32/34/650383234.db2.gz JNPFQKSVGHGDET-QGZVFWFLSA-N 1 0 397.317 1.578 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000541523361 650385758 /nfs/dbraw/zinc/38/57/58/650385758.db2.gz ABIWBHDYPIKLFA-LSDHHAIUSA-N 1 0 379.592 1.428 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)C1 ZINC000542142796 650399625 /nfs/dbraw/zinc/39/96/25/650399625.db2.gz YTJRPOXSOSRMAZ-CYBMUJFWSA-N 1 0 385.917 1.791 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000542458332 650405291 /nfs/dbraw/zinc/40/52/91/650405291.db2.gz LOJFREPZDOUBLH-UHFFFAOYSA-N 1 0 382.507 1.889 20 0 GDADRO CN1CC[NH+](CC2(C)CCN(c3cnn(C)c(=O)c3Br)CC2)CC1 ZINC000542554088 650407373 /nfs/dbraw/zinc/40/73/73/650407373.db2.gz REPWZEMTGRCUQY-UHFFFAOYSA-N 1 0 398.349 1.397 20 0 GDADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000543621094 650424682 /nfs/dbraw/zinc/42/46/82/650424682.db2.gz DJXDICQDUOWLJO-UHFFFAOYSA-N 1 0 393.506 1.304 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000545204649 650451553 /nfs/dbraw/zinc/45/15/53/650451553.db2.gz MHSGMFZFAPKIOA-INIZCTEOSA-N 1 0 384.274 1.250 20 0 GDADRO C[C@@H](c1nccs1)N1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000545237194 650452822 /nfs/dbraw/zinc/45/28/22/650452822.db2.gz ONCVWMNRGZJCGH-WMLDXEAASA-N 1 0 383.587 1.969 20 0 GDADRO Cc1sc2nc(C)nc(SCC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2c1C ZINC000545862672 650462658 /nfs/dbraw/zinc/46/26/58/650462658.db2.gz RMNDRPQAIRVXGX-KRWDZBQOSA-N 1 0 380.539 1.891 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2nc(C)c(C)s2)CC1 ZINC000546071127 650469672 /nfs/dbraw/zinc/46/96/72/650469672.db2.gz NLMIYUQXZVQYNU-UHFFFAOYSA-N 1 0 375.516 1.313 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000546583656 650479750 /nfs/dbraw/zinc/47/97/50/650479750.db2.gz XOKVIAGDKXUVHJ-HNNXBMFYSA-N 1 0 377.775 1.063 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)C2CC(O)C2)c1 ZINC000546808412 650486736 /nfs/dbraw/zinc/48/67/36/650486736.db2.gz BQRQUTWZUIBSOA-UHFFFAOYSA-N 1 0 389.905 1.374 20 0 GDADRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000546886128 650489380 /nfs/dbraw/zinc/48/93/80/650489380.db2.gz FMEKYHXJCZWOBL-INIZCTEOSA-N 1 0 381.885 1.434 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000547274156 650493239 /nfs/dbraw/zinc/49/32/39/650493239.db2.gz LAPORGQYNAWEMS-APPDUMDISA-N 1 0 386.279 1.529 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]C[C@H](O)[C@@H]2CCOC2)c2cc(Br)ccc21 ZINC000548153940 650532795 /nfs/dbraw/zinc/53/27/95/650532795.db2.gz NFMOEOUMGKTTNS-SWHYSGLUSA-N 1 0 390.299 1.655 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000549939982 650585872 /nfs/dbraw/zinc/58/58/72/650585872.db2.gz DEGGTZOUXBTACD-CYBMUJFWSA-N 1 0 384.318 1.954 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000550454725 650593145 /nfs/dbraw/zinc/59/31/45/650593145.db2.gz ABDCAOPNIPRIPC-UHFFFAOYSA-N 1 0 382.302 1.662 20 0 GDADRO CC(C)N(CCc1nccs1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551221581 650601694 /nfs/dbraw/zinc/60/16/94/650601694.db2.gz LECOCSPVQNZREP-QGZVFWFLSA-N 1 0 384.571 1.476 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)s1 ZINC000551524789 650608919 /nfs/dbraw/zinc/60/89/19/650608919.db2.gz QAWMXVVCEJYSOL-ZDUSSCGKSA-N 1 0 390.914 1.716 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O)c1cccs1 ZINC000552012878 650617617 /nfs/dbraw/zinc/61/76/17/650617617.db2.gz JKYDFUOJYPKWFE-KGLIPLIRSA-N 1 0 388.559 1.464 20 0 GDADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000552081361 650618847 /nfs/dbraw/zinc/61/88/47/650618847.db2.gz HETUIXBTWZGTAM-NWDGAFQWSA-N 1 0 386.290 1.399 20 0 GDADRO COc1cc([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)ccc1S(C)(=O)=O ZINC000552099654 650619505 /nfs/dbraw/zinc/61/95/05/650619505.db2.gz PYZRIHHGHRPZEM-VXGBXAGGSA-N 1 0 375.512 1.715 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000553059469 650637147 /nfs/dbraw/zinc/63/71/47/650637147.db2.gz MCNQIUHPQIAXGV-ZNMIVQPWSA-N 1 0 385.555 1.748 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553603323 650652785 /nfs/dbraw/zinc/65/27/85/650652785.db2.gz YWGQNXOFEYYGCU-NWDGAFQWSA-N 1 0 390.472 1.084 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1CC[NH2+]CC1 ZINC000553981864 650664848 /nfs/dbraw/zinc/66/48/48/650664848.db2.gz RYUGNKYXHXWXJW-CQSZACIVSA-N 1 0 389.518 1.094 20 0 GDADRO CSc1ncc(Cl)c(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000554230468 650671326 /nfs/dbraw/zinc/67/13/26/650671326.db2.gz QLRBNGFZWCYDTM-UHFFFAOYSA-N 1 0 385.921 1.574 20 0 GDADRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000554812278 650682002 /nfs/dbraw/zinc/68/20/02/650682002.db2.gz SQUNWPQOGHWSRZ-WDEREUQCSA-N 1 0 390.889 1.859 20 0 GDADRO Cc1ccc(NC(=O)[C@H]2CSCN2S(=O)(=O)CC[NH+]2CCCC2)cc1 ZINC000555354391 650689944 /nfs/dbraw/zinc/68/99/44/650689944.db2.gz MZUWKWSBOJWUHT-MRXNPFEDSA-N 1 0 383.539 1.734 20 0 GDADRO CO[C@H](C)c1nc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cs1 ZINC000556203608 650700116 /nfs/dbraw/zinc/70/01/16/650700116.db2.gz UJAAAGVGQOMUTP-BDJLRTHQSA-N 1 0 386.543 1.020 20 0 GDADRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000556578277 650706969 /nfs/dbraw/zinc/70/69/69/650706969.db2.gz NYZQIOXSJWNAKP-ZDUSSCGKSA-N 1 0 386.495 1.071 20 0 GDADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000556919263 650714779 /nfs/dbraw/zinc/71/47/79/650714779.db2.gz DZUDXCJOBLMIEF-CVEARBPZSA-N 1 0 388.555 1.561 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)COc2ccc(Br)cc2Cl)C[C@@H]1O ZINC000556978580 650715843 /nfs/dbraw/zinc/71/58/43/650715843.db2.gz QDHVYPRJMOORIR-RYUDHWBXSA-N 1 0 377.666 1.615 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000564459570 650758703 /nfs/dbraw/zinc/75/87/03/650758703.db2.gz HTMHMOZMFOMAMC-UHFFFAOYSA-N 1 0 394.324 1.826 20 0 GDADRO NC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000564848964 650769667 /nfs/dbraw/zinc/76/96/67/650769667.db2.gz HMRWJIJJIUOUDV-CYBMUJFWSA-N 1 0 398.232 1.612 20 0 GDADRO CC(C)(C)OC(=O)CC[N@H+](CCN1CCCS1(=O)=O)C1CCOCC1 ZINC000564917171 650771622 /nfs/dbraw/zinc/77/16/22/650771622.db2.gz YDZKHPLSKFJKIO-UHFFFAOYSA-N 1 0 376.519 1.235 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000564938397 650773652 /nfs/dbraw/zinc/77/36/52/650773652.db2.gz QHEGHNVQSSYDND-STQMWFEESA-N 1 0 388.921 1.482 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)COC1CC[NH2+]CC1 ZINC000564823595 650768774 /nfs/dbraw/zinc/76/87/74/650768774.db2.gz JKASRWFOTMNGAZ-UHFFFAOYSA-N 1 0 384.274 1.581 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3cccc(Cl)c3Cl)C[C@H]2[NH3+])cn1 ZINC000564842477 650769115 /nfs/dbraw/zinc/76/91/15/650769115.db2.gz QGRPQLJOXUMQET-CMPLNLGQSA-N 1 0 382.251 1.619 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000564978289 650774989 /nfs/dbraw/zinc/77/49/89/650774989.db2.gz DHRGBHYLKFNZLN-GFCCVEGCSA-N 1 0 388.693 1.929 20 0 GDADRO [NH3+]CC[C@H](NC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C(F)F ZINC000564995124 650776081 /nfs/dbraw/zinc/77/60/81/650776081.db2.gz HWVBUKUIPLCSGN-XQQFMLRXSA-N 1 0 375.416 1.067 20 0 GDADRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000565069555 650780055 /nfs/dbraw/zinc/78/00/55/650780055.db2.gz LIOJQZRWIASSOU-UONOGXRCSA-N 1 0 387.933 1.855 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(c3ccnc4cc(F)c(Br)cc43)CCN2C1=O ZINC000565233404 650788424 /nfs/dbraw/zinc/78/84/24/650788424.db2.gz TXCKVWJZWRHKIZ-TVQRCGJNSA-N 1 0 379.233 1.885 20 0 GDADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565239842 650789196 /nfs/dbraw/zinc/78/91/96/650789196.db2.gz MYJGJPSLCUNKJM-LERXQTSPSA-N 1 0 381.274 1.020 20 0 GDADRO O=C1CC[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000565243656 650789372 /nfs/dbraw/zinc/78/93/72/650789372.db2.gz CHIRDEWTGSJRGE-WBVHZDCISA-N 1 0 385.917 1.406 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN1CCN(c2cccc(Br)c2)CC1 ZINC000565163298 650783070 /nfs/dbraw/zinc/78/30/70/650783070.db2.gz MGBBAIPCKKOJDW-KRWDZBQOSA-N 1 0 386.334 1.510 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000565421154 650795858 /nfs/dbraw/zinc/79/58/58/650795858.db2.gz CYOLVJYEHYOBJV-UHFFFAOYSA-N 1 0 384.479 1.036 20 0 GDADRO CC(C)(CCC[NH3+])NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000565422875 650795883 /nfs/dbraw/zinc/79/58/83/650795883.db2.gz SBPOCURAYHKNQF-UHFFFAOYSA-N 1 0 382.313 1.905 20 0 GDADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000565539734 650801899 /nfs/dbraw/zinc/80/18/99/650801899.db2.gz QRSXFNLCLXZASI-LBPRGKRZSA-N 1 0 381.395 1.513 20 0 GDADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000565545743 650802065 /nfs/dbraw/zinc/80/20/65/650802065.db2.gz YDKZPBONKHIOAL-UHFFFAOYSA-N 1 0 382.302 1.695 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000565599634 650805146 /nfs/dbraw/zinc/80/51/46/650805146.db2.gz XWAUPXLJPGLPGK-GXFFZTMASA-N 1 0 392.308 1.482 20 0 GDADRO C[C@H](NC(=O)c1cccc(Br)c1Cl)C(=O)NCC[NH+](C)C ZINC000565623131 650806180 /nfs/dbraw/zinc/80/61/80/650806180.db2.gz YDULYJFNOUUJNN-VIFPVBQESA-N 1 0 376.682 1.899 20 0 GDADRO O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000565707533 650809106 /nfs/dbraw/zinc/80/91/06/650809106.db2.gz FRGNQUCYMGNWBW-HOTGVXAUSA-N 1 0 384.523 1.312 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N(C)C(C)C)c(C)c[nH+]1 ZINC000565725854 650810145 /nfs/dbraw/zinc/81/01/45/650810145.db2.gz LTPNBPVGRRLBAB-UHFFFAOYSA-N 1 0 377.532 1.312 20 0 GDADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3sccc3OC)CC2)CC1 ZINC000566165594 650831341 /nfs/dbraw/zinc/83/13/41/650831341.db2.gz ZLFAYRHPDJIRAO-UHFFFAOYSA-N 1 0 387.571 1.937 20 0 GDADRO 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CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467875843 647654110 /nfs/dbraw/zinc/65/41/10/647654110.db2.gz QZWXPMGDAZRGSX-CQSZACIVSA-N 1 0 391.559 1.259 20 0 GDADRO Cc1csc(C(=O)NCCOCC[NH+](C)C)c1I ZINC000469813221 647716704 /nfs/dbraw/zinc/71/67/04/647716704.db2.gz CDMYILICZGSAHL-UHFFFAOYSA-N 1 0 382.267 1.969 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNCc2cc(Br)cc(Br)c2N)C1 ZINC000470333921 647723207 /nfs/dbraw/zinc/72/32/07/647723207.db2.gz QFCQDNFILKYGAQ-CYBMUJFWSA-N 1 0 393.123 1.950 20 0 GDADRO CS(=O)(=O)CCCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471922300 647753778 /nfs/dbraw/zinc/75/37/78/647753778.db2.gz LNOPLJODSIUQKJ-UHFFFAOYSA-N 1 0 385.452 1.526 20 0 GDADRO COCCN(C(=O)C[N@H+](CC(C)C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000474234305 647758486 /nfs/dbraw/zinc/75/84/86/647758486.db2.gz PWSXJOJSLXHSQU-MRXNPFEDSA-N 1 0 376.563 1.653 20 0 GDADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000474377999 647761206 /nfs/dbraw/zinc/76/12/06/647761206.db2.gz 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C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000481553942 647878814 /nfs/dbraw/zinc/87/88/14/647878814.db2.gz FVHNLGOENUFJCM-OAHLLOKOSA-N 1 0 387.933 1.999 20 0 GDADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000482659650 647897028 /nfs/dbraw/zinc/89/70/28/647897028.db2.gz UBSHGJXZHAYJKI-ZDUSSCGKSA-N 1 0 377.532 1.380 20 0 GDADRO C[C@]1(C(N)=O)CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000483284728 647901418 /nfs/dbraw/zinc/90/14/18/647901418.db2.gz IXWJFKFKVRLUCZ-WFASDCNBSA-N 1 0 375.238 1.525 20 0 GDADRO CN(CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)c1ccc(Br)o1 ZINC000484941464 647920696 /nfs/dbraw/zinc/92/06/96/647920696.db2.gz AGBNAEMKCAGTCP-RYUDHWBXSA-N 1 0 384.274 1.857 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000485775776 647928736 /nfs/dbraw/zinc/92/87/36/647928736.db2.gz MVIPTBSJQUTYRI-GXTWGEPZSA-N 1 0 398.301 1.725 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1ccc2ncsc2c1 ZINC000485807703 647929607 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CS[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)c2ccccc2)C[C@@H]1[NH+](C)C ZINC000495714191 648015093 /nfs/dbraw/zinc/01/50/93/648015093.db2.gz YOYUIHWOIYQWIS-ARFHVFGLSA-N 1 0 379.551 1.706 20 0 GDADRO Cn1ncc(I)c1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000495966358 648016145 /nfs/dbraw/zinc/01/61/45/648016145.db2.gz QKCAGIRNOVWQSQ-UHFFFAOYSA-N 1 0 388.253 1.725 20 0 GDADRO CCCN(CC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000496247091 648017676 /nfs/dbraw/zinc/01/76/76/648017676.db2.gz VZEAFKNXJVVGLJ-ZDUSSCGKSA-N 1 0 375.922 1.807 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C1 ZINC000497352554 648025811 /nfs/dbraw/zinc/02/58/11/648025811.db2.gz NZSKJZZUGWIJBG-LBPRGKRZSA-N 1 0 394.946 1.505 20 0 GDADRO O=C([C@H]1CCCN(S(=O)(=O)c2cc(F)cc(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000497355404 648026700 /nfs/dbraw/zinc/02/67/00/648026700.db2.gz VYPOICPTDTVBTE-LBPRGKRZSA-N 1 0 389.880 1.312 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000497366544 648028071 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20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000517803026 648578428 /nfs/dbraw/zinc/57/84/28/648578428.db2.gz KWWFTTAUOKMISA-ZFWWWQNUSA-N 1 0 387.933 1.950 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCOc1ccccc1Br ZINC000518075629 648586121 /nfs/dbraw/zinc/58/61/21/648586121.db2.gz GEFGUJBNMFPEGM-CQSZACIVSA-N 1 0 398.301 1.674 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000518273248 648592568 /nfs/dbraw/zinc/59/25/68/648592568.db2.gz OUKXOCFKELOPCM-CYBMUJFWSA-N 1 0 389.315 1.775 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000518596819 648603605 /nfs/dbraw/zinc/60/36/05/648603605.db2.gz OJVUVIIJJKWKLN-RBSFLKMASA-N 1 0 379.592 1.427 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)C1 ZINC000518942813 648615753 /nfs/dbraw/zinc/61/57/53/648615753.db2.gz YNYNQQFOPRJBSW-NSHDSACASA-N 1 0 380.901 1.806 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2cscn2)CC1 ZINC000518970944 648616333 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CCc1ccc([C@@H](CNC(=O)c2ccc(S(N)(=O)=O)s2)[NH+](C)C)cc1 ZINC000520132241 648643649 /nfs/dbraw/zinc/64/36/49/648643649.db2.gz WNCFTDCQHAQCAR-CQSZACIVSA-N 1 0 381.523 1.991 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)NCC2([NH3+])CCC2)CC1 ZINC000520200990 648645472 /nfs/dbraw/zinc/64/54/72/648645472.db2.gz NHUAOTXYCDNUHK-UHFFFAOYSA-N 1 0 397.321 1.599 20 0 GDADRO CN(C[C@@H](O)C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)C1CC1 ZINC000521996296 648666473 /nfs/dbraw/zinc/66/64/73/648666473.db2.gz RLODGYZFYCMWJD-AWEZNQCLSA-N 1 0 380.432 1.654 20 0 GDADRO C[NH+]1CCC(CNC(=O)CS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000523434871 648683172 /nfs/dbraw/zinc/68/31/72/648683172.db2.gz VFODDOHBQZMYQI-UHFFFAOYSA-N 1 0 389.315 1.681 20 0 GDADRO CC(C)NS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000523430202 648683179 /nfs/dbraw/zinc/68/31/79/648683179.db2.gz UYGSTKVMNJVLEH-UHFFFAOYSA-N 1 0 376.567 1.468 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[N@@H+](C)CC[C@@H]2C)s1 ZINC000523662580 648685911 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20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC([NH3+])CC1 ZINC000571404536 651076229 /nfs/dbraw/zinc/07/62/29/651076229.db2.gz SOBBTKZVTLNFPG-SNVBAGLBSA-N 1 0 379.404 1.322 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H]2CC2(C)C)c(C)c[nH+]1 ZINC000571464542 651077430 /nfs/dbraw/zinc/07/74/30/651077430.db2.gz XJFCIPFJRGXXAW-HNNXBMFYSA-N 1 0 389.543 1.312 20 0 GDADRO O=C([C@@H]1CCCCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000571642567 651080298 /nfs/dbraw/zinc/08/02/98/651080298.db2.gz ZTYWNSZNPWAPQI-LBPRGKRZSA-N 1 0 391.946 1.767 20 0 GDADRO C[NH+](C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(F)c1 ZINC000571704743 651080900 /nfs/dbraw/zinc/08/09/00/651080900.db2.gz WZBDVRRBEOQUAY-MRXNPFEDSA-N 1 0 392.518 1.096 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)Sc1ccccc1 ZINC000571902029 651086473 /nfs/dbraw/zinc/08/64/73/651086473.db2.gz GWJAJAVSDNNZOD-KDOFPFPSSA-N 1 0 381.567 1.837 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H](O)C(C)C ZINC000572243248 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Cn1cnnc1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000631916215 653269598 /nfs/dbraw/zinc/26/95/98/653269598.db2.gz UTZVQPHIJUBBDV-UHFFFAOYSA-N 1 0 383.905 1.659 20 0 GDADRO COc1cc(F)c([C@H](C)NS(=O)(=O)N(C)C2CC[NH2+]CC2)cc1OC ZINC000631920348 653270764 /nfs/dbraw/zinc/27/07/64/653270764.db2.gz XXGHXDQPDDPUEJ-NSHDSACASA-N 1 0 375.466 1.422 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000631921956 653271227 /nfs/dbraw/zinc/27/12/27/653271227.db2.gz XUUHQWSFEIAMIW-UHFFFAOYSA-N 1 0 383.358 1.732 20 0 GDADRO COC[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000631920532 653271434 /nfs/dbraw/zinc/27/14/34/653271434.db2.gz AZPRSYIFCVRXMK-ZIAGYGMSSA-N 1 0 382.404 1.301 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631927408 653272850 /nfs/dbraw/zinc/27/28/50/653272850.db2.gz XZMZKKDNMYCPDH-CMPLNLGQSA-N 1 0 395.294 1.427 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000631928789 653273167 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GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000633039502 653423431 /nfs/dbraw/zinc/42/34/31/653423431.db2.gz LEHLPMGMZRWHIV-JQWIXIFHSA-N 1 0 383.290 1.397 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1F ZINC000633103833 653427565 /nfs/dbraw/zinc/42/75/65/653427565.db2.gz WIQHHBPQDJTALQ-QWRGUYRKSA-N 1 0 386.265 1.742 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2c(Cl)cncc2Cl)CC1=O ZINC000633106316 653427585 /nfs/dbraw/zinc/42/75/85/653427585.db2.gz MCXIAEYBZNIWQE-NSHDSACASA-N 1 0 389.283 1.297 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000633555990 653454999 /nfs/dbraw/zinc/45/49/99/653454999.db2.gz SDSOSFDXHOUBRK-SNVBAGLBSA-N 1 0 385.262 1.050 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)NCC(=O)c2ccc(Br)c(F)c2)cn1 ZINC000633710992 653463769 /nfs/dbraw/zinc/46/37/69/653463769.db2.gz MJQIGUXVIWCDNB-UHFFFAOYSA-N 1 0 397.248 1.959 20 0 GDADRO CCC1([NH+]2CCCC2)CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000633953143 653479926 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386.265 1.349 20 0 GDADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000638339363 653538467 /nfs/dbraw/zinc/53/84/67/653538467.db2.gz MIAMBWIFXIJLRO-WMLDXEAASA-N 1 0 398.301 1.968 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3c(F)cncc3Br)C2)nn1 ZINC000638341141 653538559 /nfs/dbraw/zinc/53/85/59/653538559.db2.gz NHPDDVQYPYCWAI-JTQLQIEISA-N 1 0 383.225 1.511 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000638589988 653540874 /nfs/dbraw/zinc/54/08/74/653540874.db2.gz MLJXDZFHQVKTJU-UHFFFAOYSA-N 1 0 381.274 1.943 20 0 GDADRO COc1cc(OC)c(CC[NH2+]Cc2ccc(S(N)(=O)=O)s2)c(OC)c1 ZINC000638587931 653540887 /nfs/dbraw/zinc/54/08/87/653540887.db2.gz CNEGPDVXSXCMCZ-UHFFFAOYSA-N 1 0 386.495 1.754 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000638590165 653540951 /nfs/dbraw/zinc/54/09/51/653540951.db2.gz QLCRWBQJOQDBAT-OAHLLOKOSA-N 1 0 385.917 1.550 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000638644869 653541539 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CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643491141 653583143 /nfs/dbraw/zinc/58/31/43/653583143.db2.gz IITLIBCUGCCIMQ-HNNXBMFYSA-N 1 0 386.315 1.681 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643508956 653583326 /nfs/dbraw/zinc/58/33/26/653583326.db2.gz VVGHYERDQVZIJV-HOCLYGCPSA-N 1 0 394.313 1.660 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1(C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000643593199 653583638 /nfs/dbraw/zinc/58/36/38/653583638.db2.gz KBEMXOBCLQWKIN-TVQRCGJNSA-N 1 0 394.269 1.690 20 0 GDADRO C[C@@H]1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000643604077 653583731 /nfs/dbraw/zinc/58/37/31/653583731.db2.gz CVNPNFMZAVFSPL-NEPJUHHUSA-N 1 0 389.315 1.666 20 0 GDADRO NC(=O)C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000643804426 653589478 /nfs/dbraw/zinc/58/94/78/653589478.db2.gz SBAPWGRRPVJSKX-BDJLRTHQSA-N 1 0 377.268 1.435 20 0 GDADRO CN(CCC[NH3+])C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000644067757 653595198 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CS(=O)(=O)NC1CC([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000644640783 653599856 /nfs/dbraw/zinc/59/98/56/653599856.db2.gz BEOZTHWNIWSNDO-BPCQOVAHSA-N 1 0 382.404 1.115 20 0 GDADRO C[C@@H](OC[C@@H](O)C[NH2+]C1CC(NS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000644640646 653599860 /nfs/dbraw/zinc/59/98/60/653599860.db2.gz MYAXRUQOJPKDGU-MGXDSONQSA-N 1 0 376.906 1.448 20 0 GDADRO O=c1ccc(Br)cn1CC[NH2+]C[C@@H](O)COCc1cccs1 ZINC000644656311 653599948 /nfs/dbraw/zinc/59/99/48/653599948.db2.gz DYEQJSPYSYDQMP-CYBMUJFWSA-N 1 0 387.299 1.840 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000644657438 653599970 /nfs/dbraw/zinc/59/99/70/653599970.db2.gz QNEJRFKIKAQQKM-CHWSQXEVSA-N 1 0 384.420 1.363 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000645115265 653601588 /nfs/dbraw/zinc/60/15/88/653601588.db2.gz RGPSFXOEQONMSB-HIFRSBDPSA-N 1 0 385.555 1.444 20 0 GDADRO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000645354872 653602338 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Cc1nccc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1Br ZINC000646371335 653610023 /nfs/dbraw/zinc/61/00/23/653610023.db2.gz USQJUMFPNLQYGF-UHFFFAOYSA-N 1 0 383.290 1.903 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CCO1 ZINC000646861906 653615226 /nfs/dbraw/zinc/61/52/26/653615226.db2.gz QBWHVFJMXYCHHK-ABAIWWIYSA-N 1 0 379.258 1.823 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)[C@@H]2C1 ZINC000646916175 653616586 /nfs/dbraw/zinc/61/65/86/653616586.db2.gz CHOSOULAOXWZTH-WOSRLPQWSA-N 1 0 392.297 1.965 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000647098644 653620560 /nfs/dbraw/zinc/62/05/60/653620560.db2.gz XGTKLESSJIRCTK-STQMWFEESA-N 1 0 378.853 1.141 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)CCO1 ZINC000647234698 653623922 /nfs/dbraw/zinc/62/39/22/653623922.db2.gz YBPIBSXCRIPWFI-KCJUWKMLSA-N 1 0 383.695 1.839 20 0 GDADRO O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238524 653624299 /nfs/dbraw/zinc/62/42/99/653624299.db2.gz NWTYZBZFDMGWDK-HOCLYGCPSA-N 1 0 384.523 1.169 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647306563 653625739 /nfs/dbraw/zinc/62/57/39/653625739.db2.gz ASCLNNJZOLVTLZ-GJZGRUSLSA-N 1 0 386.539 1.490 20 0 GDADRO COc1ncc(S(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000647322707 653626000 /nfs/dbraw/zinc/62/60/00/653626000.db2.gz JIOJFBOGKKPKTO-LLVKDONJSA-N 1 0 375.878 1.120 20 0 GDADRO O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647323135 653626201 /nfs/dbraw/zinc/62/62/01/653626201.db2.gz KRAQSEMODLJDIR-HUUCEWRRSA-N 1 0 384.523 1.027 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000647335579 653626320 /nfs/dbraw/zinc/62/63/20/653626320.db2.gz SDKXFSTVXRVCQV-KBPBESRZSA-N 1 0 389.543 1.265 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647642884 653632067 /nfs/dbraw/zinc/63/20/67/653632067.db2.gz VTPSKWXBGZSINE-UHFFFAOYSA-N 1 0 385.917 1.751 20 0 GDADRO CC(C)(C[NH3+])NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000647764797 653633518 /nfs/dbraw/zinc/63/35/18/653633518.db2.gz WNNYHWFYSPSDHL-UHFFFAOYSA-N 1 0 387.811 1.491 20 0 GDADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647774519 653634003 /nfs/dbraw/zinc/63/40/03/653634003.db2.gz GWNXFNBZRSOKFX-LBPRGKRZSA-N 1 0 388.281 1.719 20 0 GDADRO C[C@H]1CN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000647816908 653635257 /nfs/dbraw/zinc/63/52/57/653635257.db2.gz CCTOCZQAQVFURL-JOYOIKCWSA-N 1 0 380.297 1.467 20 0 GDADRO Cc1cc(Br)cn2c(CN3CN(CC[NH+](C)C)C(=O)[C@H]3C)cnc12 ZINC000648065834 653638231 /nfs/dbraw/zinc/63/82/31/653638231.db2.gz QDKIAYYFPKWIAR-CYBMUJFWSA-N 1 0 394.317 1.957 20 0 GDADRO COc1ccc(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(Br)c1O ZINC000648066147 653638248 /nfs/dbraw/zinc/63/82/48/653638248.db2.gz ZIKYMDFNRIVZMN-LLVKDONJSA-N 1 0 386.290 1.715 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648181585 653640633 /nfs/dbraw/zinc/64/06/33/653640633.db2.gz LYGOBXUPVWINDJ-AWEZNQCLSA-N 1 0 385.917 1.799 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000648183470 653640908 /nfs/dbraw/zinc/64/09/08/653640908.db2.gz HAKXSGXEYCCEGZ-KGLIPLIRSA-N 1 0 383.539 1.692 20 0 GDADRO C[C@H](CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)n1cc(Br)cn1 ZINC000648785897 653655703 /nfs/dbraw/zinc/65/57/03/653655703.db2.gz GQBFOCCVDIUXBB-ZBFHGGJFSA-N 1 0 398.349 1.835 20 0 GDADRO CN(C(=O)c1c(Br)cnn1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648934513 653660662 /nfs/dbraw/zinc/66/06/62/653660662.db2.gz PPNCMFCFXLTQGF-CYBMUJFWSA-N 1 0 384.322 1.423 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000649422180 653667168 /nfs/dbraw/zinc/66/71/68/653667168.db2.gz GQHIVWIXNQQZSI-UHFFFAOYSA-N 1 0 380.283 1.114 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688151 653671808 /nfs/dbraw/zinc/67/18/08/653671808.db2.gz SSPXZFDZUSLIMC-ZDUSSCGKSA-N 1 0 397.317 1.482 20 0 GDADRO C[C@@H]1[C@H](C)N(C(=O)c2ccc(-n3cc(Br)cn3)nn2)[C@@H](C)C[N@@H+]1C ZINC000650152298 653684852 /nfs/dbraw/zinc/68/48/52/653684852.db2.gz BVCAEBHHRGRKGP-TUAOUCFPSA-N 1 0 393.289 1.978 20 0 GDADRO COc1ccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1Br ZINC000650301941 653690347 /nfs/dbraw/zinc/69/03/47/653690347.db2.gz MDCLORBYNFRKOA-UHFFFAOYSA-N 1 0 384.274 1.304 20 0 GDADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650301252 653690401 /nfs/dbraw/zinc/69/04/01/653690401.db2.gz IYMKUISVKWUSCM-CYBMUJFWSA-N 1 0 398.301 1.449 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)CNS(=O)(=O)c3c(Cl)cccc3Cl)[C@@H]2C1 ZINC000650321727 653691783 /nfs/dbraw/zinc/69/17/83/653691783.db2.gz HGHMHKJTJGAOAK-ZWNOBZJWSA-N 1 0 392.308 1.434 20 0 GDADRO Cc1cccc(CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1Br ZINC000651052631 653809420 /nfs/dbraw/zinc/80/94/20/653809420.db2.gz UGNZCFFNQRKDBF-UHFFFAOYSA-N 1 0 397.317 1.673 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000651297299 653818276 /nfs/dbraw/zinc/81/82/76/653818276.db2.gz IAFZCBQQYQENKK-UHFFFAOYSA-N 1 0 384.303 1.664 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC1 ZINC000651579353 653834235 /nfs/dbraw/zinc/83/42/35/653834235.db2.gz ZAFWVASMWAARCL-UHFFFAOYSA-N 1 0 386.539 1.515 20 0 GDADRO CC[NH+](CC)CCN(C(=O)C[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000651581271 653834662 /nfs/dbraw/zinc/83/46/62/653834662.db2.gz MZFSBDFKYDNQGR-QWHCGFSZSA-N 1 0 388.452 1.311 20 0 GDADRO [NH3+]CC1(CCNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)CC1 ZINC000652238974 653885396 /nfs/dbraw/zinc/88/53/96/653885396.db2.gz XLEGYPPHGCTADS-AWEZNQCLSA-N 1 0 395.301 1.761 20 0 GDADRO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000652365488 653888336 /nfs/dbraw/zinc/88/83/36/653888336.db2.gz QCZLRDCDZQCTKZ-GFCCVEGCSA-N 1 0 389.880 1.312 20 0 GDADRO O=S(=O)(c1ccc2c(c1)CS(=O)(=O)C2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000652371163 653889157 /nfs/dbraw/zinc/88/91/57/653889157.db2.gz KSAFUFNFCNIBTI-UONOGXRCSA-N 1 0 384.523 1.125 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000652374455 653889472 /nfs/dbraw/zinc/88/94/72/653889472.db2.gz SFSBNCQDUMJTSG-YWPYICTPSA-N 1 0 389.905 1.651 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000652374454 653889619 /nfs/dbraw/zinc/88/96/19/653889619.db2.gz SFSBNCQDUMJTSG-SLEUVZQESA-N 1 0 389.905 1.651 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1Br ZINC000652628851 653894455 /nfs/dbraw/zinc/89/44/55/653894455.db2.gz PXEZYRCXXXVKNU-GTNSWQLSSA-N 1 0 396.285 1.984 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652667036 653896067 /nfs/dbraw/zinc/89/60/67/653896067.db2.gz ARGDMQAIGXPQFN-LBPRGKRZSA-N 1 0 382.302 1.742 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652692816 653897073 /nfs/dbraw/zinc/89/70/73/653897073.db2.gz DODKPWJAMNKMCS-NSHDSACASA-N 1 0 398.301 1.880 20 0 GDADRO O=C(NCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)c1ccc(Br)cc1 ZINC000653075263 653905363 /nfs/dbraw/zinc/90/53/63/653905363.db2.gz LHSGBIYJZDNLAZ-LSDHHAIUSA-N 1 0 380.286 1.826 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653082764 653905640 /nfs/dbraw/zinc/90/56/40/653905640.db2.gz CXOIJAISCMUANU-SJCJKPOMSA-N 1 0 396.285 1.438 20 0 GDADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653122308 653906792 /nfs/dbraw/zinc/90/67/92/653906792.db2.gz SWKDDYOJUIQSFV-HZMBPMFUSA-N 1 0 379.766 1.485 20 0 GDADRO COc1cc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc(Cl)c1OC ZINC000653204681 653908261 /nfs/dbraw/zinc/90/82/61/653908261.db2.gz CCBKQBVTLKQQDD-UHFFFAOYSA-N 1 0 376.862 1.463 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc(Br)cn2)C1 ZINC000653262839 653909204 /nfs/dbraw/zinc/90/92/04/653909204.db2.gz IQNHRKUKCOBRAQ-QLFBSQMISA-N 1 0 385.306 1.923 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN1CCc2c(F)cc(Br)cc2C1 ZINC000653568778 653916922 /nfs/dbraw/zinc/91/69/22/653916922.db2.gz JVLFDXNISKCWSI-AWEZNQCLSA-N 1 0 375.282 1.885 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000653672465 653920095 /nfs/dbraw/zinc/92/00/95/653920095.db2.gz OQPICKYMPYLAOM-CVEARBPZSA-N 1 0 375.307 1.185 20 0 GDADRO O[C@@H]1C[C@H]2CN(Cc3noc(Cc4ccc(Br)cc4)n3)CC[N@@H+]2C1 ZINC000653827293 653924071 /nfs/dbraw/zinc/92/40/71/653924071.db2.gz VGSUTIIXEKLQJA-LSDHHAIUSA-N 1 0 393.285 1.674 20 0 GDADRO O=C(NCc1cc(Cl)ccc1OC(F)F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654469335 653937623 /nfs/dbraw/zinc/93/76/23/653937623.db2.gz WUTFDCXMEQDDRE-QWHCGFSZSA-N 1 0 375.803 1.902 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654492784 653938494 /nfs/dbraw/zinc/93/84/94/653938494.db2.gz YUIMPZPWWQOSRT-NWDGAFQWSA-N 1 0 375.256 1.228 20 0 GDADRO CO[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1Br ZINC000654783985 653945877 /nfs/dbraw/zinc/94/58/77/653945877.db2.gz OBWFRYKOJYRBLF-CZUORRHYSA-N 1 0 384.318 1.889 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1scc2c1OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000654870742 653949863 /nfs/dbraw/zinc/94/98/63/653949863.db2.gz ZLZVTBPGGUWWDF-GFCCVEGCSA-N 1 0 388.511 1.100 20 0 GDADRO COc1ccc(Br)c2[nH]c(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc21 ZINC000655093275 653958681 /nfs/dbraw/zinc/95/86/81/653958681.db2.gz HMFJYQPEHOCEMM-STQMWFEESA-N 1 0 382.258 1.686 20 0 GDADRO COc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc(Br)c1OC ZINC000655294583 653963445 /nfs/dbraw/zinc/96/34/45/653963445.db2.gz BORAJROZJWQVDZ-NWDGAFQWSA-N 1 0 385.258 1.357 20 0 GDADRO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296834 653963740 /nfs/dbraw/zinc/96/37/40/653963740.db2.gz AQJPMAUVPIQWBY-VBNZEHGJSA-N 1 0 395.297 1.935 20 0 GDADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297819 653963911 /nfs/dbraw/zinc/96/39/11/653963911.db2.gz WHQGVFMVOOHDKJ-LSDHHAIUSA-N 1 0 391.269 1.526 20 0 GDADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299925 653964248 /nfs/dbraw/zinc/96/42/48/653964248.db2.gz UEADUVJZBQJPNV-GRYCIOLGSA-N 1 0 386.279 1.389 20 0 GDADRO O=C(NCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1cccc(Br)c1 ZINC000655432070 653969502 /nfs/dbraw/zinc/96/95/02/653969502.db2.gz OXFVCSVXIZPZCR-RHSMWYFYSA-N 1 0 380.286 1.685 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)C2)s1 ZINC000655510360 653973051 /nfs/dbraw/zinc/97/30/51/653973051.db2.gz WBWVLKVBKCLBPC-WDEREUQCSA-N 1 0 399.460 1.463 20 0 GDADRO CO[C@](C)(CO)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000655802105 653991131 /nfs/dbraw/zinc/99/11/31/653991131.db2.gz WPCIHQODWJFEHE-RNCFNFMXSA-N 1 0 381.292 1.145 20 0 GDADRO [NH3+]C[C@H](NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(F)(F)F ZINC000655923777 653994058 /nfs/dbraw/zinc/99/40/58/653994058.db2.gz YDJXONGZUVKZSR-QWRGUYRKSA-N 1 0 382.745 1.773 20 0 GDADRO CSc1nnc(CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)n1CC(C)C ZINC000655919703 653994108 /nfs/dbraw/zinc/99/41/08/653994108.db2.gz QTQJLKUUPUTQAX-SNVBAGLBSA-N 1 0 382.456 1.777 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(F)(F)F ZINC000655922785 653994198 /nfs/dbraw/zinc/99/41/98/653994198.db2.gz SLIQZDCYZUZIMW-WDEREUQCSA-N 1 0 382.745 1.773 20 0 GDADRO Cc1ccc(Cn2nccc2NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)s1 ZINC000655958586 653996467 /nfs/dbraw/zinc/99/64/67/653996467.db2.gz NGGKMEUPSPKKPL-JTQLQIEISA-N 1 0 375.376 1.246 20 0 GDADRO O[C@@H]1C[C@H]2CN(Cc3ncc(Br)cc3Br)CC[N@@H+]2C1 ZINC000656274187 654013132 /nfs/dbraw/zinc/01/31/32/654013132.db2.gz XGSUGAXHNVGIIQ-WDEREUQCSA-N 1 0 391.107 1.857 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC(F)(F)C2)cc[nH+]1 ZINC000656381899 654027591 /nfs/dbraw/zinc/02/75/91/654027591.db2.gz IBKBQKOWTYSFCC-CYBMUJFWSA-N 1 0 397.469 1.051 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C)C2)cc[nH+]1 ZINC000656387992 654028574 /nfs/dbraw/zinc/02/85/74/654028574.db2.gz LOPAJPYLLYLGSC-UHFFFAOYSA-N 1 0 375.516 1.005 20 0 GDADRO CCc1ccc([C@@H](CNC(=O)c2sccc2S(N)(=O)=O)[NH+](C)C)cc1 ZINC000656399850 654029826 /nfs/dbraw/zinc/02/98/26/654029826.db2.gz FGXNWEIYSNIOBK-CQSZACIVSA-N 1 0 381.523 1.991 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2C1 ZINC000656915660 654071409 /nfs/dbraw/zinc/07/14/09/654071409.db2.gz NECXGBZETRPPBX-WFASDCNBSA-N 1 0 385.555 1.756 20 0 GDADRO CO[C@H](CS(=O)(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000656919167 654072104 /nfs/dbraw/zinc/07/21/04/654072104.db2.gz RAWMHERLJICYST-SJLPKXTDSA-N 1 0 375.579 1.385 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ncccc2Br)CC1 ZINC000656927436 654074124 /nfs/dbraw/zinc/07/41/24/654074124.db2.gz MLPCCLDKMRMEHW-UHFFFAOYSA-N 1 0 391.335 1.148 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000656995404 654091532 /nfs/dbraw/zinc/09/15/32/654091532.db2.gz VAEIUSQYLFAWJU-BXKDBHETSA-N 1 0 393.278 1.921 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)c(OC)c1 ZINC000657091457 654108208 /nfs/dbraw/zinc/10/82/08/654108208.db2.gz NVOFSCBKTHKWAE-LBPRGKRZSA-N 1 0 393.531 1.075 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000657092271 654108876 /nfs/dbraw/zinc/10/88/76/654108876.db2.gz RVEBLZNXSJFFET-CQSZACIVSA-N 1 0 391.559 1.336 20 0 GDADRO COc1ncc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(C)c1Br ZINC000657990529 654175542 /nfs/dbraw/zinc/17/55/42/654175542.db2.gz NVBPVCRCRKOWBH-CMPLNLGQSA-N 1 0 397.273 1.262 20 0 GDADRO COC[C@H](CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000658083848 654181404 /nfs/dbraw/zinc/18/14/04/654181404.db2.gz UFOZCQSTZZMQHB-PWSUYJOCSA-N 1 0 395.319 1.799 20 0 GDADRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658092760 654181574 /nfs/dbraw/zinc/18/15/74/654181574.db2.gz QSLLIIZDAVEXRR-ZDUSSCGKSA-N 1 0 378.274 1.975 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CCC[C@@H](C)[C@H]3CC[NH3+])cc2C1 ZINC000658384125 654187997 /nfs/dbraw/zinc/18/79/97/654187997.db2.gz SYWMLQKZAOCWFQ-IUODEOHRSA-N 1 0 385.555 1.791 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000658384433 654188510 /nfs/dbraw/zinc/18/85/10/654188510.db2.gz ZBUXFEPPUMIVCH-BXUZGUMPSA-N 1 0 395.294 1.714 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)[C@H](C[NH3+])C1 ZINC000658399363 654189814 /nfs/dbraw/zinc/18/98/14/654189814.db2.gz WGUISRQDYYHXOD-SKDRFNHKSA-N 1 0 390.303 1.296 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000658401682 654190390 /nfs/dbraw/zinc/19/03/90/654190390.db2.gz HMSXQLGIBMOJBR-LLVKDONJSA-N 1 0 391.490 1.150 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000658523970 654195965 /nfs/dbraw/zinc/19/59/65/654195965.db2.gz MBVLEXSHPYSKBK-UHFFFAOYSA-N 1 0 380.286 1.354 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1OCCOC ZINC000659113246 654215262 /nfs/dbraw/zinc/21/52/62/654215262.db2.gz OIUJKAXOCXZMPQ-SNVBAGLBSA-N 1 0 388.262 1.137 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659548111 654228679 /nfs/dbraw/zinc/22/86/79/654228679.db2.gz FAPUIIFWDUATLV-CVEARBPZSA-N 1 0 398.301 1.911 20 0 GDADRO COc1ccc(Br)cc1C1([NH2+]CCN2C(=O)CN(C)C2=O)CC1 ZINC000660902789 654259077 /nfs/dbraw/zinc/25/90/77/654259077.db2.gz SGZROXBNMIHHAI-UHFFFAOYSA-N 1 0 382.258 1.930 20 0 GDADRO OCC1(O)CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000661618368 654278236 /nfs/dbraw/zinc/27/82/36/654278236.db2.gz UMQKRLLHGONIBX-LBPRGKRZSA-N 1 0 394.693 1.661 20 0 GDADRO CN(C)S(=O)(=O)c1cc(NC(=O)CN(C)CC(C)(C)[NH3+])ccc1Cl ZINC000662295852 654292111 /nfs/dbraw/zinc/29/21/11/654292111.db2.gz NFELHVWMGWUGGT-UHFFFAOYSA-N 1 0 376.910 1.198 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662319702 654292722 /nfs/dbraw/zinc/29/27/22/654292722.db2.gz ASJKDEDYTMUOSH-HUUCEWRRSA-N 1 0 388.281 1.657 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662756510 654302022 /nfs/dbraw/zinc/30/20/22/654302022.db2.gz IJMWHBZZHYZJJY-BBRMVZONSA-N 1 0 383.334 1.591 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000662842971 654305363 /nfs/dbraw/zinc/30/53/63/654305363.db2.gz NZEJWEDXJDACAR-UHFFFAOYSA-N 1 0 382.258 1.631 20 0 GDADRO [NH3+]CCn1cc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)nn1 ZINC000662861879 654312215 /nfs/dbraw/zinc/31/22/15/654312215.db2.gz BNCYSGCNLXKIEW-UHFFFAOYSA-N 1 0 389.257 1.679 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@]2(C)CC2(C)C)cc[nH+]1 ZINC000662872254 654314675 /nfs/dbraw/zinc/31/46/75/654314675.db2.gz YSLOQQNLSRJKRP-INIZCTEOSA-N 1 0 389.543 1.442 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1Br ZINC000663312655 654333274 /nfs/dbraw/zinc/33/32/74/654333274.db2.gz DVHJHSFVRHUWQG-AWEZNQCLSA-N 1 0 390.303 1.746 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1Br ZINC000663313264 654333429 /nfs/dbraw/zinc/33/34/29/654333429.db2.gz VUOJRMJEFANYMK-ZDUSSCGKSA-N 1 0 379.276 1.497 20 0 GDADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664452981 654379585 /nfs/dbraw/zinc/37/95/85/654379585.db2.gz WXWNRDBUSJEISL-ZDUSSCGKSA-N 1 0 395.301 1.788 20 0 GDADRO CCN(C(=O)NCCNS(=O)(=O)c1cc(C)sc1C)[C@H]1CC[N@H+](C)C1 ZINC000664497053 654382559 /nfs/dbraw/zinc/38/25/59/654382559.db2.gz NNJMQSVRDYBHHB-AWEZNQCLSA-N 1 0 388.559 1.379 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C[C@@H]1O ZINC000664772582 654391894 /nfs/dbraw/zinc/39/18/94/654391894.db2.gz QQZFVIMOGSVRST-KBMXLJTQSA-N 1 0 397.317 1.344 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(Br)nc2)cn1 ZINC000768736486 654428603 /nfs/dbraw/zinc/42/86/03/654428603.db2.gz RILZVAUJOVLUSG-UHFFFAOYSA-N 1 0 381.234 1.179 20 0 GDADRO C[N@H+](CCOC(=O)CNS(=O)(=O)c1cccs1)Cc1ccc(F)cc1 ZINC000769075165 654448120 /nfs/dbraw/zinc/44/81/20/654448120.db2.gz SYVJVYAUFVQPPY-UHFFFAOYSA-N 1 0 386.470 1.841 20 0 GDADRO C[C@H](CC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)NS(=O)(=O)c1cccnc1Cl ZINC000769144409 654450569 /nfs/dbraw/zinc/45/05/69/654450569.db2.gz JMTBYGMEQCDALB-JHJVBQTASA-N 1 0 388.921 1.343 20 0 GDADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667506070 654453112 /nfs/dbraw/zinc/45/31/12/654453112.db2.gz LNTBELMDILXFST-MRVPVSSYSA-N 1 0 376.201 1.924 20 0 GDADRO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CCc2cc(Br)cc(F)c21 ZINC000667535175 654453861 /nfs/dbraw/zinc/45/38/61/654453861.db2.gz AXSAWQGOLVLPBY-YGRLFVJLSA-N 1 0 396.260 1.688 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667540306 654454515 /nfs/dbraw/zinc/45/45/15/654454515.db2.gz IAOLTYKVFFUHNO-BXUZGUMPSA-N 1 0 396.285 1.997 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)cc2Br)CC[C@H]1[NH3+] ZINC000667544828 654455099 /nfs/dbraw/zinc/45/50/99/654455099.db2.gz HHOUGBXMVSDPNE-ZWNOBZJWSA-N 1 0 384.274 1.982 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000667557949 654455521 /nfs/dbraw/zinc/45/55/21/654455521.db2.gz OKSRUDAISHTKNF-ZCFIWIBFSA-N 1 0 379.052 1.614 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1c(Br)cc(F)cc1Br ZINC000667560506 654456039 /nfs/dbraw/zinc/45/60/39/654456039.db2.gz CLWURWFWQACNNT-RXMQYKEDSA-N 1 0 397.042 1.753 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000667583786 654457633 /nfs/dbraw/zinc/45/76/33/654457633.db2.gz JUANLUUQLXZUQN-JQWIXIFHSA-N 1 0 376.429 1.240 20 0 GDADRO O=C(C(=O)N1CCc2ccc(Br)cc21)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000667713196 654460476 /nfs/dbraw/zinc/46/04/76/654460476.db2.gz DRPOCYBYFSXAOC-OLZOCXBDSA-N 1 0 378.270 1.406 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cnc(Cl)n2C)[C@H](C)C1 ZINC000769423283 654463450 /nfs/dbraw/zinc/46/34/50/654463450.db2.gz LHJVEDNBMFFJDI-OLZOCXBDSA-N 1 0 378.926 1.489 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]CC1CCN(S(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000769688906 654478231 /nfs/dbraw/zinc/47/82/31/654478231.db2.gz DAZKZGFEHZFYEE-KBPBESRZSA-N 1 0 377.551 1.939 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769755343 654481388 /nfs/dbraw/zinc/48/13/88/654481388.db2.gz XSIHXDOAFAMDHT-UHFFFAOYSA-N 1 0 396.289 1.723 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2nccn3c(Br)cnc23)CCOCC1 ZINC000769859916 654487355 /nfs/dbraw/zinc/48/73/55/654487355.db2.gz TZFHCXZYAVPICQ-UHFFFAOYSA-N 1 0 382.262 1.332 20 0 GDADRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000769997373 654495222 /nfs/dbraw/zinc/49/52/22/654495222.db2.gz ZHJSXGVTVYOMQT-XPKDBEDXSA-N 1 0 390.527 1.390 20 0 GDADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000733168066 654501307 /nfs/dbraw/zinc/50/13/07/654501307.db2.gz QTFGAODURIHUPB-ZDUSSCGKSA-N 1 0 392.319 1.413 20 0 GDADRO O=C(NCCNC(=O)c1ccc(Br)cc1)NC[C@H]1CCCC[NH2+]1 ZINC000669402012 654503927 /nfs/dbraw/zinc/50/39/27/654503927.db2.gz YTNURVSMXIRMKC-CQSZACIVSA-N 1 0 383.290 1.620 20 0 GDADRO CC[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC[C@H]1[NH3+] ZINC000669541332 654505168 /nfs/dbraw/zinc/50/51/68/654505168.db2.gz ODKXZSWKZOCMIZ-GHMZBOCLSA-N 1 0 394.950 1.449 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000669541373 654505631 /nfs/dbraw/zinc/50/56/31/654505631.db2.gz ZIMADTLUOBOOEQ-UWVGGRQHSA-N 1 0 380.923 1.059 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)C1 ZINC000669932839 654515368 /nfs/dbraw/zinc/51/53/68/654515368.db2.gz LVWHKISIWDFGQR-HUUCEWRRSA-N 1 0 380.432 1.693 20 0 GDADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCSC2(CCOCC2)C1 ZINC000770685089 654518510 /nfs/dbraw/zinc/51/85/10/654518510.db2.gz JFQTYBYQJXNIEO-PTNGSMBKSA-N 1 0 386.539 1.564 20 0 GDADRO CN(C)c1nc(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)cs1 ZINC000670535424 654523820 /nfs/dbraw/zinc/52/38/20/654523820.db2.gz JSBYMIWCFMZPNI-GFCCVEGCSA-N 1 0 381.527 1.306 20 0 GDADRO O=C(NCc1sccc1Br)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671099427 654531424 /nfs/dbraw/zinc/53/14/24/654531424.db2.gz DQOCKQVFZSBGAU-GHMZBOCLSA-N 1 0 386.315 1.870 20 0 GDADRO O=C(/C=C/c1ccc(Br)o1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000734468602 654534528 /nfs/dbraw/zinc/53/45/28/654534528.db2.gz TZQGFXRVWYGYKN-PMUGQKEBSA-N 1 0 398.301 1.578 20 0 GDADRO CC[NH+](CC)CCOC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000772212441 654557250 /nfs/dbraw/zinc/55/72/50/654557250.db2.gz CYCAJSKSTFTIME-UHFFFAOYSA-N 1 0 379.276 1.595 20 0 GDADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)C(=O)N1CCCSCC1 ZINC000672634646 654561668 /nfs/dbraw/zinc/56/16/68/654561668.db2.gz PCQPPECDUHRDQC-UHFFFAOYSA-N 1 0 385.599 1.820 20 0 GDADRO O=C(COc1ccc(Br)cc1F)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673516900 654575746 /nfs/dbraw/zinc/57/57/46/654575746.db2.gz TXGBMPFJNLKUGE-OLZOCXBDSA-N 1 0 387.249 1.635 20 0 GDADRO CNC(=O)C(C)(C)C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000772950315 654576370 /nfs/dbraw/zinc/57/63/70/654576370.db2.gz OGGRMIBQRMZRNE-LLVKDONJSA-N 1 0 376.910 1.066 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000673523465 654576524 /nfs/dbraw/zinc/57/65/24/654576524.db2.gz SOMIGBKDEWDIPA-CJNGLKHVSA-N 1 0 390.311 1.405 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H](CO)C[NH+]1CCCC1 ZINC000673530896 654576849 /nfs/dbraw/zinc/57/68/49/654576849.db2.gz KYPXVJWGXNIJDH-HNNXBMFYSA-N 1 0 398.301 1.142 20 0 GDADRO CN(CCn1cc(Br)cn1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000673556485 654578013 /nfs/dbraw/zinc/57/80/13/654578013.db2.gz ACJMWJYPSPQHTO-CQSZACIVSA-N 1 0 390.351 1.724 20 0 GDADRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773102133 654581580 /nfs/dbraw/zinc/58/15/80/654581580.db2.gz GDAMZNHKMMQJLR-SWLSCSKDSA-N 1 0 390.527 1.224 20 0 GDADRO CCN1CCN(c2nc(N3CC[NH+](CC)CC3)ncc2Br)CC1 ZINC000674335305 654597616 /nfs/dbraw/zinc/59/76/16/654597616.db2.gz HUYVQFHCFVJPBE-UHFFFAOYSA-N 1 0 383.338 1.523 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000736647722 654600052 /nfs/dbraw/zinc/60/00/52/654600052.db2.gz NGDKVKAIYJERLZ-CHWSQXEVSA-N 1 0 383.905 1.575 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000736647726 654600144 /nfs/dbraw/zinc/60/01/44/654600144.db2.gz NGDKVKAIYJERLZ-STQMWFEESA-N 1 0 383.905 1.575 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000675096316 654608537 /nfs/dbraw/zinc/60/85/37/654608537.db2.gz HZCRMLJNEWPVOY-GFCCVEGCSA-N 1 0 375.803 1.768 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CC1 ZINC000774079200 654610006 /nfs/dbraw/zinc/61/00/06/654610006.db2.gz NNYXJYNKGBUKCM-VWLOTQADSA-N 1 0 377.388 1.463 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)s2)c2ccccc2O1 ZINC000675512649 654618012 /nfs/dbraw/zinc/61/80/12/654618012.db2.gz YBNVBEBIPQOCAQ-LLVKDONJSA-N 1 0 381.479 1.365 20 0 GDADRO CC[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000737386409 654619968 /nfs/dbraw/zinc/61/99/68/654619968.db2.gz AHWTXEIVKUSZNW-MNOVXSKESA-N 1 0 377.894 1.278 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCc1ccc(Cl)nc1)c1cccs1 ZINC000774861207 654643661 /nfs/dbraw/zinc/64/36/61/654643661.db2.gz VJJTXCBYABEDBS-ZDUSSCGKSA-N 1 0 380.901 1.874 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12)[NH+]1CCCCC1 ZINC000774888746 654645253 /nfs/dbraw/zinc/64/52/53/654645253.db2.gz JAJHMMREMWJJGS-KFWWJZLASA-N 1 0 385.599 1.863 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000676701587 654648734 /nfs/dbraw/zinc/64/87/34/654648734.db2.gz MBFJEFYAAIDZOX-WDEREUQCSA-N 1 0 383.297 1.486 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCC[C@H](C(N)=O)C1 ZINC000738440407 654657913 /nfs/dbraw/zinc/65/79/13/654657913.db2.gz SPKGASBIVFMTIN-RWMBFGLXSA-N 1 0 388.921 1.338 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000775167410 654658164 /nfs/dbraw/zinc/65/81/64/654658164.db2.gz WIWNYKGZPVESJO-LBPRGKRZSA-N 1 0 380.316 1.256 20 0 GDADRO CC[NH+]1CCN(CC(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000775561463 654668495 /nfs/dbraw/zinc/66/84/95/654668495.db2.gz RFJXZJDQZAKATK-UHFFFAOYSA-N 1 0 384.274 1.812 20 0 GDADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000677540643 654670578 /nfs/dbraw/zinc/67/05/78/654670578.db2.gz FJJLYQLNZJXEJY-BZUAXINKSA-N 1 0 395.297 1.983 20 0 GDADRO O=C(NCCc1cccs1)C1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000677694389 654673511 /nfs/dbraw/zinc/67/35/11/654673511.db2.gz CONCYPXKSJDNFL-OAHLLOKOSA-N 1 0 384.567 1.944 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]CCCc2cccc(Br)c2)CC1 ZINC000678106007 654684058 /nfs/dbraw/zinc/68/40/58/654684058.db2.gz CUYXGHFFFLWNMV-UHFFFAOYSA-N 1 0 376.316 1.911 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=S)NCCN2CCOCC2)[C@H]1c1cccs1 ZINC000741500040 654689755 /nfs/dbraw/zinc/68/97/55/654689755.db2.gz WDSZTUHDWRIZBA-WBVHZDCISA-N 1 0 382.599 1.927 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=S)NCCc2cccs2)cn1 ZINC000741499868 654689850 /nfs/dbraw/zinc/68/98/50/654689850.db2.gz DECZVZHCQYAQOF-UHFFFAOYSA-N 1 0 380.543 1.152 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2Br)CC[N@@H+]1C ZINC000741725415 654691618 /nfs/dbraw/zinc/69/16/18/654691618.db2.gz VFBARTYEKNXHMH-ZJUUUORDSA-N 1 0 390.303 1.309 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000678610021 654691732 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SWTITZKQWUKJLM-WFASDCNBSA-N 1 0 389.279 1.980 20 0 GDADRO C[NH+]1CCC(NC(=S)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)CC1 ZINC000840805601 655297988 /nfs/dbraw/zinc/29/79/88/655297988.db2.gz UHPFWEYIHLQJRC-NWDGAFQWSA-N 1 0 378.464 1.298 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C2CC2)cc1 ZINC000840880830 655300167 /nfs/dbraw/zinc/30/01/67/655300167.db2.gz GDHJVAICXAYHGY-CQSZACIVSA-N 1 0 388.555 1.945 20 0 GDADRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000840888211 655300308 /nfs/dbraw/zinc/30/03/08/655300308.db2.gz CVZMFYLFPIQKJI-QLFBSQMISA-N 1 0 378.535 1.719 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000799814033 655302362 /nfs/dbraw/zinc/30/23/62/655302362.db2.gz ICUSNLSWVLDMAN-SNVBAGLBSA-N 1 0 390.303 1.311 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000841132081 655309549 /nfs/dbraw/zinc/30/95/49/655309549.db2.gz RTYIAZITPOQVLR-WCQYABFASA-N 1 0 389.905 1.883 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000841153716 655310969 /nfs/dbraw/zinc/31/09/69/655310969.db2.gz UWHYJVAPYUMFJF-UHFFFAOYSA-N 1 0 377.670 1.860 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)CC[NH2+]1 ZINC000841172862 655311971 /nfs/dbraw/zinc/31/19/71/655311971.db2.gz BTEIRJVUYPZQGL-ZETCQYMHSA-N 1 0 395.179 1.622 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000841187738 655312947 /nfs/dbraw/zinc/31/29/47/655312947.db2.gz ZYPRRXMTHQEYLF-UHFFFAOYSA-N 1 0 377.413 1.255 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841187273 655312998 /nfs/dbraw/zinc/31/29/98/655312998.db2.gz TXSLXVOZYTVRAY-LLVKDONJSA-N 1 0 377.242 1.886 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CCO1 ZINC000841195850 655313361 /nfs/dbraw/zinc/31/33/61/655313361.db2.gz ZHFFXQBGKABUNK-KOLCDFICSA-N 1 0 377.388 1.812 20 0 GDADRO Cc1c(NC(=O)C(=O)NCC2([NH3+])CCC2)cnc(Cl)c1Br ZINC000841209420 655314137 /nfs/dbraw/zinc/31/41/37/655314137.db2.gz REJMDIGQRNYUQZ-UHFFFAOYSA-N 1 0 375.654 1.742 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CCO1 ZINC000841213531 655314529 /nfs/dbraw/zinc/31/45/29/655314529.db2.gz OLLYXYAKQGREHB-HNNXBMFYSA-N 1 0 392.253 1.727 20 0 GDADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000841248551 655317324 /nfs/dbraw/zinc/31/73/24/655317324.db2.gz AUUKYTSMJBWAEH-GZMMTYOYSA-N 1 0 387.665 1.646 20 0 GDADRO C[C@@]1(F)CNCCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000841250248 655317331 /nfs/dbraw/zinc/31/73/31/655317331.db2.gz IFTQJNQKWDHUTA-CYBMUJFWSA-N 1 0 393.644 1.596 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000841259587 655317895 /nfs/dbraw/zinc/31/78/95/655317895.db2.gz HZFPCVSCLHKXNN-CHWSQXEVSA-N 1 0 395.301 1.939 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841262587 655318055 /nfs/dbraw/zinc/31/80/55/655318055.db2.gz VLTXGCUAPHZVLS-UWVGGRQHSA-N 1 0 398.257 1.402 20 0 GDADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000841294458 655318722 /nfs/dbraw/zinc/31/87/22/655318722.db2.gz CVFIAKFJAZMDJB-MRVPVSSYSA-N 1 0 375.654 1.694 20 0 GDADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000841524379 655336974 /nfs/dbraw/zinc/33/69/74/655336974.db2.gz MCLGZIRCWPVKNI-SNVBAGLBSA-N 1 0 386.417 1.210 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000841549367 655343900 /nfs/dbraw/zinc/34/39/00/655343900.db2.gz OTHRPENGPAHMII-NSHDSACASA-N 1 0 375.878 1.532 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817287372 655349268 /nfs/dbraw/zinc/34/92/68/655349268.db2.gz SJHDIQDQVRSCSS-UHFFFAOYSA-N 1 0 375.535 1.743 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841870066 655354461 /nfs/dbraw/zinc/35/44/61/655354461.db2.gz RMEKXHSKRKPEAF-FQLMCAECSA-N 1 0 386.587 1.395 20 0 GDADRO C[C@]1(CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1(Cl)Cl ZINC000841912339 655354734 /nfs/dbraw/zinc/35/47/34/655354734.db2.gz JMYMQAHFMNCEQT-WFASDCNBSA-N 1 0 379.332 1.990 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)C[C@@H]1C[NH3+] ZINC000842022257 655355512 /nfs/dbraw/zinc/35/55/12/655355512.db2.gz WTYIVXYDACTCTK-JSGCOSHPSA-N 1 0 384.933 1.528 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@H]1CCC[N@@H+]1C)NS(=O)(=O)c1cccnc1Cl ZINC000817675747 655356677 /nfs/dbraw/zinc/35/66/77/655356677.db2.gz ATGFGWZASZMNRB-CHWSQXEVSA-N 1 0 388.921 1.345 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000817676192 655356720 /nfs/dbraw/zinc/35/67/20/655356720.db2.gz GAXWNZCBZCBLFG-QMMMGPOBSA-N 1 0 396.332 1.324 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000842213377 655359037 /nfs/dbraw/zinc/35/90/37/655359037.db2.gz AALHWYAZNVYBHD-LLVKDONJSA-N 1 0 386.265 1.363 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000842216536 655359258 /nfs/dbraw/zinc/35/92/58/655359258.db2.gz KRGCUCGSFDXTPP-ZDUSSCGKSA-N 1 0 386.265 1.505 20 0 GDADRO COC[C@]1(C(=O)N2CCO[C@H](c3ccccc3Br)C2)CC[NH2+]C1 ZINC000817928142 655362469 /nfs/dbraw/zinc/36/24/69/655362469.db2.gz QUJCSODGKCLQEM-RDJZCZTQSA-N 1 0 383.286 1.975 20 0 GDADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000817989247 655363509 /nfs/dbraw/zinc/36/35/09/655363509.db2.gz MFPAYWHHVYNBQD-IUODEOHRSA-N 1 0 398.301 1.138 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000817989831 655363589 /nfs/dbraw/zinc/36/35/89/655363589.db2.gz RKWQCVQXNUZSAW-IUODEOHRSA-N 1 0 398.301 1.281 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2ccccc2Br)[C@H](C)C[NH2+]1 ZINC000817991324 655363805 /nfs/dbraw/zinc/36/38/05/655363805.db2.gz RDNYFDVWUILFJL-LALPHHSUSA-N 1 0 398.301 1.150 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2ccc(I)o2)CCCO1 ZINC000818013070 655364646 /nfs/dbraw/zinc/36/46/46/655364646.db2.gz YFTVSQHIHISQQX-JOAKQRRISA-N 1 0 376.194 1.474 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)ccc1Cl ZINC000818015903 655364761 /nfs/dbraw/zinc/36/47/61/655364761.db2.gz LVUCLZKRGARCST-INIZCTEOSA-N 1 0 387.889 1.490 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000842480289 655366927 /nfs/dbraw/zinc/36/69/27/655366927.db2.gz TWIGUGUBIPXQOR-GXSJLCMTSA-N 1 0 391.287 1.641 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)s1 ZINC000842481258 655367165 /nfs/dbraw/zinc/36/71/65/655367165.db2.gz ILZIUSSJANQDLK-XPUUQOCRSA-N 1 0 383.289 1.407 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000842486481 655368264 /nfs/dbraw/zinc/36/82/64/655368264.db2.gz ZUJDNTANKNZWPM-VXGBXAGGSA-N 1 0 375.516 1.252 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c(Br)cc1F ZINC000842701170 655371966 /nfs/dbraw/zinc/37/19/66/655371966.db2.gz OYNHNQQPGNCZPM-QMMMGPOBSA-N 1 0 395.250 1.344 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000842720917 655373507 /nfs/dbraw/zinc/37/35/07/655373507.db2.gz AIAIXYSZTBBOOI-LLVKDONJSA-N 1 0 375.878 1.708 20 0 GDADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000842741029 655374641 /nfs/dbraw/zinc/37/46/41/655374641.db2.gz AEUHOLJYSWSVTN-UHFFFAOYSA-N 1 0 389.543 1.799 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)/C=C\c2ccccc2Br)CCO1 ZINC000842744013 655374756 /nfs/dbraw/zinc/37/47/56/655374756.db2.gz NENJYWHAHJSPTK-XGVMJUDDSA-N 1 0 375.288 1.798 20 0 GDADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000818498719 655375531 /nfs/dbraw/zinc/37/55/31/655375531.db2.gz ACOTXXXEJXHKQW-NSHDSACASA-N 1 0 396.843 1.947 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1)C(F)(F)F ZINC000842764751 655375601 /nfs/dbraw/zinc/37/56/01/655375601.db2.gz VCHMFLXXTGPMEP-CQSZACIVSA-N 1 0 377.388 1.562 20 0 GDADRO COC[C@]1(CNC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CCC[NH2+]1 ZINC000818589960 655376895 /nfs/dbraw/zinc/37/68/95/655376895.db2.gz OGSLTGMVSKVAFC-MRXNPFEDSA-N 1 0 376.425 1.322 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)CC[NH3+])c(Br)cc1Cl ZINC000842791099 655377283 /nfs/dbraw/zinc/37/72/83/655377283.db2.gz RMMKGWDAVCVRGH-SSDOTTSWSA-N 1 0 399.694 1.905 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000842792598 655377436 /nfs/dbraw/zinc/37/74/36/655377436.db2.gz NBHVFELGGBZZPM-UHFFFAOYSA-N 1 0 383.857 1.671 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000842797423 655377910 /nfs/dbraw/zinc/37/79/10/655377910.db2.gz IDDZIYNUSSSRTR-MFKMUULPSA-N 1 0 380.919 1.491 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000842820548 655379468 /nfs/dbraw/zinc/37/94/68/655379468.db2.gz QTUCLOIIPIAZGJ-GFCCVEGCSA-N 1 0 387.889 1.674 20 0 GDADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)C1 ZINC000842822445 655379572 /nfs/dbraw/zinc/37/95/72/655379572.db2.gz WGZPBDLPTCDWBT-SNVBAGLBSA-N 1 0 381.267 1.969 20 0 GDADRO CN(C1C[NH2+]C1)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842866358 655381522 /nfs/dbraw/zinc/38/15/22/655381522.db2.gz GGDLSVMVNBKSFS-UHFFFAOYSA-N 1 0 379.667 1.343 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)s1 ZINC000842869322 655381650 /nfs/dbraw/zinc/38/16/50/655381650.db2.gz JTXUHSMLGQRFNH-SECBINFHSA-N 1 0 397.316 1.655 20 0 GDADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000842883311 655382513 /nfs/dbraw/zinc/38/25/13/655382513.db2.gz LVRPUJOEVYOASJ-SSDOTTSWSA-N 1 0 399.694 1.905 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000818976375 655382498 /nfs/dbraw/zinc/38/24/98/655382498.db2.gz BRULLOWRZOPBLI-KBPBESRZSA-N 1 0 377.304 1.496 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000818998523 655382891 /nfs/dbraw/zinc/38/28/91/655382891.db2.gz RXLNGZXXCDBHGP-CQSZACIVSA-N 1 0 377.304 1.498 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1)C(F)(F)F ZINC000842896136 655383477 /nfs/dbraw/zinc/38/34/77/655383477.db2.gz UBIZOIVDRZISGK-NSHDSACASA-N 1 0 379.404 1.998 20 0 GDADRO CN(C)C(=O)CN1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819045472 655383802 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C[C@](O)(C[NH2+]C[C@@H]1CC(C(N)=O)=NO1)c1ccc(Br)cc1Cl ZINC000819253396 655388673 /nfs/dbraw/zinc/38/86/73/655388673.db2.gz OGWGRGXJORSJPR-XPTSAGLGSA-N 1 0 390.665 1.530 20 0 GDADRO C[C@](O)(C[NH2+]CCC1CS(=O)(=O)C1)c1ccc(Br)cc1F ZINC000819256446 655388863 /nfs/dbraw/zinc/38/88/63/655388863.db2.gz KSTIXPPWOPVYGQ-AWEZNQCLSA-N 1 0 380.279 1.820 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+]CCS(C)(=O)=O)cc1Br ZINC000843118003 655388939 /nfs/dbraw/zinc/38/89/39/655388939.db2.gz YGBXVOUNNAXYNI-LBPRGKRZSA-N 1 0 380.304 1.243 20 0 GDADRO Cn1cc(C[C@@H](CO)[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)cn1 ZINC000843117123 655388958 /nfs/dbraw/zinc/38/89/58/655388958.db2.gz USBGMSAFKRWUED-XJKSGUPXSA-N 1 0 386.265 1.722 20 0 GDADRO O=S(=O)(NC1CC1)c1ccc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)cc1 ZINC000843203026 655389552 /nfs/dbraw/zinc/38/95/52/655389552.db2.gz OIXFPGGWAXIZEZ-CYBMUJFWSA-N 1 0 380.495 1.425 20 0 GDADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]CCn1cc(Br)cn1 ZINC000819308427 655389604 /nfs/dbraw/zinc/38/96/04/655389604.db2.gz SUQIBFWIMHAUKN-LBPRGKRZSA-N 1 0 377.283 1.511 20 0 GDADRO COc1cc(Cc2noc(-c3csc(C[NH3+])n3)n2)ccc1S(C)(=O)=O ZINC000843205967 655389770 /nfs/dbraw/zinc/38/97/70/655389770.db2.gz QHCZNKWITYMMTO-UHFFFAOYSA-N 1 0 380.451 1.655 20 0 GDADRO Cc1ccc(/C=C/C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000843316581 655392463 /nfs/dbraw/zinc/39/24/63/655392463.db2.gz VPDWESZSAPPRCX-AATRIKPKSA-N 1 0 380.286 1.661 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@](C)(C[NH3+])C2CC2)c1 ZINC000843343974 655393087 /nfs/dbraw/zinc/39/30/87/655393087.db2.gz HWLISINTKGEDJH-MRXNPFEDSA-N 1 0 389.905 1.122 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000843358009 655393596 /nfs/dbraw/zinc/39/35/96/655393596.db2.gz WFWSBYXCIREXIR-NSHDSACASA-N 1 0 375.441 1.653 20 0 GDADRO Cn1nnc(Br)c1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819642107 655393925 /nfs/dbraw/zinc/39/39/25/655393925.db2.gz KUIMKJGLHCNILC-UONOGXRCSA-N 1 0 390.285 1.924 20 0 GDADRO [NH3+]CC[C@H]1CCCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000843378362 655393952 /nfs/dbraw/zinc/39/39/52/655393952.db2.gz RXOSTGKTZDAUPN-GFCCVEGCSA-N 1 0 375.441 1.682 20 0 GDADRO CC[C@@]1(C(=O)NCCNc2ncnc3c2c(Br)nn3C)CCC[NH2+]1 ZINC000843430714 655394861 /nfs/dbraw/zinc/39/48/61/655394861.db2.gz DMWBXQZSPLEJRH-HNNXBMFYSA-N 1 0 396.293 1.186 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC[NH2+]1 ZINC000843472078 655396014 /nfs/dbraw/zinc/39/60/14/655396014.db2.gz TZWSQERYCIEGSO-PWSUYJOCSA-N 1 0 380.495 1.168 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)ccc1Cl ZINC000843514579 655397407 /nfs/dbraw/zinc/39/74/07/655397407.db2.gz YZYCXRYFPJQRQQ-OAHLLOKOSA-N 1 0 385.917 1.995 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(F)cc1Cl ZINC000819911374 655399327 /nfs/dbraw/zinc/39/93/27/655399327.db2.gz JOKZMZSTUMKPSK-IINYFYTJSA-N 1 0 390.864 1.980 20 0 GDADRO CCn1ncc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000820111688 655403159 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GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000844962799 655421373 /nfs/dbraw/zinc/42/13/73/655421373.db2.gz FMUJRSNHDCVZIG-IAGOWNOFSA-N 1 0 376.904 1.933 20 0 GDADRO COC1(CS(=O)(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CCOCC1 ZINC000845818305 655436289 /nfs/dbraw/zinc/43/62/89/655436289.db2.gz SUCWWIJWWHMSKT-QGZVFWFLSA-N 1 0 376.563 1.858 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@@H]1CCO ZINC000845837481 655436473 /nfs/dbraw/zinc/43/64/73/655436473.db2.gz OQFNGWJTIPRAOE-KBPBESRZSA-N 1 0 375.535 1.158 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000822475987 655445995 /nfs/dbraw/zinc/44/59/95/655445995.db2.gz FRKKTFRJLJHIHI-KGLIPLIRSA-N 1 0 378.539 1.196 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCC1(CO)CCC1 ZINC000846103318 655447363 /nfs/dbraw/zinc/44/73/63/655447363.db2.gz NNXGGNSVYPLCHV-CYBMUJFWSA-N 1 0 375.922 1.847 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCN2CCCC2=O)ccc1S(=O)(=O)C(F)F ZINC000846210284 655449929 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/nfs/dbraw/zinc/48/05/13/655480513.db2.gz IINAQUWZJLSGIJ-JTQLQIEISA-N 1 0 397.950 1.180 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1(n2cc(Br)cn2)CC1 ZINC000824826254 655481045 /nfs/dbraw/zinc/48/10/45/655481045.db2.gz GYKASKIFLBIVQX-ZDUSSCGKSA-N 1 0 386.338 1.523 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000848238989 655485186 /nfs/dbraw/zinc/48/51/86/655485186.db2.gz YCRPYNOPUNTSMN-VIFPVBQESA-N 1 0 389.681 1.690 20 0 GDADRO COC(=O)[C@H](NC(=O)COC1CC[NH+](C)CC1)c1ccccc1Br ZINC000825223904 655486172 /nfs/dbraw/zinc/48/61/72/655486172.db2.gz PXTBNFHMROZLOZ-MRXNPFEDSA-N 1 0 399.285 1.890 20 0 GDADRO COc1ccc(C2N=NC(=S)N2CC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000848439913 655490270 /nfs/dbraw/zinc/49/02/70/655490270.db2.gz YFBBEMUIDPAOCD-JTQLQIEISA-N 1 0 375.376 1.248 20 0 GDADRO COc1ccc(C2N=NC(=S)N2CC(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000848439914 655490272 /nfs/dbraw/zinc/49/02/72/655490272.db2.gz YFBBEMUIDPAOCD-SNVBAGLBSA-N 1 0 375.376 1.248 20 0 GDADRO C[NH+]1CCC(NC(=S)NN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000848648786 655498178 /nfs/dbraw/zinc/49/81/78/655498178.db2.gz PCMDRUCGHJDQEE-UHFFFAOYSA-N 1 0 397.298 1.518 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1nc2ccccn2c1Br ZINC000827158728 655506709 /nfs/dbraw/zinc/50/67/09/655506709.db2.gz UNQJWCOTNDSDRP-UHFFFAOYSA-N 1 0 382.306 1.549 20 0 GDADRO O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)NCC[NH+]1CCSCC1 ZINC000827407156 655510711 /nfs/dbraw/zinc/51/07/11/655510711.db2.gz BWVWCBKGRAASOZ-UHFFFAOYSA-N 1 0 375.416 1.895 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC23CCC(CC2)C3)cc[nH+]1 ZINC000848965475 655512566 /nfs/dbraw/zinc/51/25/66/655512566.db2.gz NUMRAKKLARIJHK-UHFFFAOYSA-N 1 0 387.527 1.196 20 0 GDADRO COC[C@@H](C)NC(=[NH2+])NCCOc1ccc(I)cc1 ZINC000848988760 655517103 /nfs/dbraw/zinc/51/71/03/655517103.db2.gz DBJUTUTXMODAFC-SNVBAGLBSA-N 1 0 377.226 1.819 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cn3ncnc23)C1 ZINC000827836688 655517110 /nfs/dbraw/zinc/51/71/10/655517110.db2.gz KRBXOLKKBDHUBH-NSHDSACASA-N 1 0 382.262 1.067 20 0 GDADRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000849088900 655517286 /nfs/dbraw/zinc/51/72/86/655517286.db2.gz WVUAKIUOXUNGTJ-UHFFFAOYSA-N 1 0 388.515 1.386 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000828037610 655518735 /nfs/dbraw/zinc/51/87/35/655518735.db2.gz FDOSUZPBQXDDNJ-CQSZACIVSA-N 1 0 382.917 1.700 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)Nc1ccc(OCCS(C)(=O)=O)cc1 ZINC000849272236 655521292 /nfs/dbraw/zinc/52/12/92/655521292.db2.gz FJDJENSIQPPVCO-UHFFFAOYSA-N 1 0 387.571 1.984 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000849411542 655529169 /nfs/dbraw/zinc/52/91/69/655529169.db2.gz NIQZEMHCNHWDJM-CQSZACIVSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[NH+](C)C ZINC000849428435 655533516 /nfs/dbraw/zinc/53/35/16/655533516.db2.gz ATYGJLMQWBOWTK-JTQLQIEISA-N 1 0 388.433 1.599 20 0 GDADRO COC(=O)N1CCC([NH2+]CCNC(=O)c2ccc(Br)cn2)CC1 ZINC000850352109 655552766 /nfs/dbraw/zinc/55/27/66/655552766.db2.gz ZSQNRTLZQZLOKF-UHFFFAOYSA-N 1 0 385.262 1.394 20 0 GDADRO CC[C@@H]([NH2+]CCN(C)C(=O)OC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000850548777 655558779 /nfs/dbraw/zinc/55/87/79/655558779.db2.gz ZYQAFWMKORKYCI-CYBMUJFWSA-N 1 0 377.894 1.987 20 0 GDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NCC2SCCS2)cc1 ZINC000850692666 655564675 /nfs/dbraw/zinc/56/46/75/655564675.db2.gz CMEIIZAIYNQYNN-UHFFFAOYSA-N 1 0 383.539 1.878 20 0 GDADRO C[C@]1(CNC(=O)C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1(Cl)Cl ZINC000850820755 655568785 /nfs/dbraw/zinc/56/87/85/655568785.db2.gz QKLRZMVIKLPBNJ-CZUORRHYSA-N 1 0 386.279 1.986 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)n1 ZINC000850822017 655568894 /nfs/dbraw/zinc/56/88/94/655568894.db2.gz WGFCTJPWRGNTFQ-VIFPVBQESA-N 1 0 382.877 1.394 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NCC2=CC[NH2+]CC2)n1 ZINC000850824525 655569009 /nfs/dbraw/zinc/56/90/09/655569009.db2.gz UGRRYRJHURCHQQ-UHFFFAOYSA-N 1 0 380.861 1.171 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)n1 ZINC000850826679 655569137 /nfs/dbraw/zinc/56/91/37/655569137.db2.gz OXGNARHOGSEZFM-UHFFFAOYSA-N 1 0 382.877 1.381 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NC(C)(C)CCC[NH3+])n1 ZINC000850825461 655569142 /nfs/dbraw/zinc/56/91/42/655569142.db2.gz WBQHYEQMVPBTOQ-UHFFFAOYSA-N 1 0 384.893 1.769 20 0 GDADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCn3ncc(Br)c3C2)cc1 ZINC000850858047 655570331 /nfs/dbraw/zinc/57/03/31/655570331.db2.gz QKGQNQKSCXPHSZ-SNVBAGLBSA-N 1 0 392.257 1.646 20 0 GDADRO C[C@]12CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C[C@H]1C2(Br)Br ZINC000851666207 655590249 /nfs/dbraw/zinc/59/02/49/655590249.db2.gz GGGMDUDIEZKTIS-ULHKAFAUSA-N 1 0 393.123 1.742 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000851672829 655590338 /nfs/dbraw/zinc/59/03/38/655590338.db2.gz VAKGYKMNWZDBLX-QWHCGFSZSA-N 1 0 385.452 1.527 20 0 GDADRO CC[C@H]1CN([C@@H]2CS(=O)(=O)C[C@@H]2OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000851869094 655601227 /nfs/dbraw/zinc/60/12/27/655601227.db2.gz YFMXEGDKIRAQHM-YJNKXOJESA-N 1 0 376.519 1.424 20 0 GDADRO C[N@H+](C[C@@](O)(C(N)=O)c1ccccc1)[C@H](CO)c1cccc(Br)c1 ZINC000851884890 655602428 /nfs/dbraw/zinc/60/24/28/655602428.db2.gz HBWMSADXGQAFHE-AEFFLSMTSA-N 1 0 393.281 1.787 20 0 GDADRO C[N@H+](CCCNC(=O)NCCS(=O)(=O)CC(F)(F)F)C1CCCCC1 ZINC000851936351 655604038 /nfs/dbraw/zinc/60/40/38/655604038.db2.gz LYPDXPYJQOJGKG-UHFFFAOYSA-N 1 0 387.468 1.917 20 0 GDADRO CN(CCn1cnc(Br)n1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000851956786 655604410 /nfs/dbraw/zinc/60/44/10/655604410.db2.gz FYYXPROOHSDESU-QGZVFWFLSA-N 1 0 394.317 1.609 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000851998759 655605443 /nfs/dbraw/zinc/60/54/43/655605443.db2.gz BIKKAYNVACUSNA-KGLIPLIRSA-N 1 0 384.435 1.071 20 0 GDADRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000852451290 655614367 /nfs/dbraw/zinc/61/43/67/655614367.db2.gz HAZQSOOHNQICJX-CYBMUJFWSA-N 1 0 378.416 1.919 20 0 GDADRO O=C(NCC[S@](=O)CC(F)(F)F)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000852462961 655615891 /nfs/dbraw/zinc/61/58/91/655615891.db2.gz SAKIKCAHGLOHFV-CANCMXDXSA-N 1 0 385.452 1.240 20 0 GDADRO CCNC(=O)CC[NH+]1CCC(n2nncc2I)CC1 ZINC000852533433 655617822 /nfs/dbraw/zinc/61/78/22/655617822.db2.gz YWFGBFIPKMYHNK-UHFFFAOYSA-N 1 0 377.230 1.046 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)c2sc3c(c2I)CNC3)C1 ZINC000852795327 655622667 /nfs/dbraw/zinc/62/26/67/655622667.db2.gz XEWSXFIPQBUEOS-QMMMGPOBSA-N 1 0 391.278 1.767 20 0 GDADRO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cc2c(s1)CC[NH2+]C2 ZINC000852806406 655623054 /nfs/dbraw/zinc/62/30/54/655623054.db2.gz TYIHNDHFLBYDIB-UHFFFAOYSA-N 1 0 393.481 1.388 20 0 GDADRO CC(C)(C)n1ncc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1Br ZINC000852817879 655623419 /nfs/dbraw/zinc/62/34/19/655623419.db2.gz BFUXPQDTINQDTQ-LBPRGKRZSA-N 1 0 384.322 1.520 20 0 GDADRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC(n2nncc2I)CC1 ZINC000852860897 655624243 /nfs/dbraw/zinc/62/42/43/655624243.db2.gz KLBRITQJBGUYBS-JTQLQIEISA-N 1 0 389.241 1.188 20 0 GDADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCOc2cc(Br)ccc2C1 ZINC000852871109 655624662 /nfs/dbraw/zinc/62/46/62/655624662.db2.gz VFLBIVHICCGSPR-UHFFFAOYSA-N 1 0 377.242 1.853 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)=NO1 ZINC000852889916 655625402 /nfs/dbraw/zinc/62/54/02/655625402.db2.gz GUOJOSJSKHBEJZ-ZDUSSCGKSA-N 1 0 399.264 1.336 20 0 GDADRO O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCn2ncc(Br)c2C1 ZINC000852916849 655628145 /nfs/dbraw/zinc/62/81/45/655628145.db2.gz QZMDPZFLXKSXMD-NSHDSACASA-N 1 0 394.277 1.208 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000852919916 655628258 /nfs/dbraw/zinc/62/82/58/655628258.db2.gz FBSDHDKCCBBROP-SECBINFHSA-N 1 0 390.303 1.228 20 0 GDADRO CN(CC1C[NH+](C)C1)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000853555967 655642965 /nfs/dbraw/zinc/64/29/65/655642965.db2.gz UCTWWPPHUXCLFS-KRWDZBQOSA-N 1 0 395.301 1.667 20 0 GDADRO COc1ncc(Br)cc1CONC(=[NH2+])[C@@H]1CN(C(C)C)CCO1 ZINC000853685415 655647361 /nfs/dbraw/zinc/64/73/61/655647361.db2.gz IFHHQNSZZRIOSZ-ZDUSSCGKSA-N 1 0 387.278 1.960 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCc1ccc(I)cc1 ZINC000854226410 655658808 /nfs/dbraw/zinc/65/88/08/655658808.db2.gz BNFLVPFKGFUNKO-ZIAGYGMSSA-N 1 0 388.249 1.717 20 0 GDADRO CN(CCCN(C)C(=O)c1cc(S(C)(=O)=O)ncc1Cl)CC[NH+](C)C ZINC000854490272 655668320 /nfs/dbraw/zinc/66/83/20/655668320.db2.gz SYUWSDYLDJDRKZ-UHFFFAOYSA-N 1 0 390.937 1.094 20 0 GDADRO C[NH+](C)CC1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000854722970 655675153 /nfs/dbraw/zinc/67/51/53/655675153.db2.gz OCSFNWLFPVDUFK-UHFFFAOYSA-N 1 0 375.288 1.486 20 0 GDADRO CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000855363342 655692714 /nfs/dbraw/zinc/69/27/14/655692714.db2.gz SMIKLIUATMYTOD-CYBMUJFWSA-N 1 0 389.905 1.688 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000855416536 655693771 /nfs/dbraw/zinc/69/37/71/655693771.db2.gz NPBDCFLFIVGGED-UHFFFAOYSA-N 1 0 382.559 1.295 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000855415526 655693797 /nfs/dbraw/zinc/69/37/97/655693797.db2.gz YHTBCOZOELGAAQ-UHFFFAOYSA-N 1 0 389.949 1.747 20 0 GDADRO CNS(=O)(=O)CC[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000856760850 655718019 /nfs/dbraw/zinc/71/80/19/655718019.db2.gz HWNYPRZUAFNWCO-ZDUSSCGKSA-N 1 0 385.452 1.049 20 0 GDADRO C[NH+](C)C1CC(NC(=O)c2ccc3ncc(I)n3c2)C1 ZINC000857231067 655731552 /nfs/dbraw/zinc/73/15/52/655731552.db2.gz ULFRFCRQVIPZFB-UHFFFAOYSA-N 1 0 384.221 1.761 20 0 GDADRO O=C(NCc1ccc2c[nH+]cn2c1)c1c(Br)nc2n1CCOC2 ZINC000857288862 655733463 /nfs/dbraw/zinc/73/34/63/655733463.db2.gz UBBNCLKJWFMEFF-UHFFFAOYSA-N 1 0 376.214 1.754 20 0 GDADRO COc1ccc(Br)cc1OC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000857738795 655740895 /nfs/dbraw/zinc/74/08/95/655740895.db2.gz NFYZSYCRYCDDSY-NSHDSACASA-N 1 0 385.258 1.773 20 0 GDADRO CCc1ccc(S(=O)(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)s1 ZINC000858617019 655750622 /nfs/dbraw/zinc/75/06/22/655750622.db2.gz XDPRXOZENKBOFQ-KGLIPLIRSA-N 1 0 385.511 1.256 20 0 GDADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000858617096 655750639 /nfs/dbraw/zinc/75/06/39/655750639.db2.gz BQZWTAVYTISWER-LBPRGKRZSA-N 1 0 398.428 1.543 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000858626465 655751135 /nfs/dbraw/zinc/75/11/35/655751135.db2.gz DOAQEQGQPWHGLO-UHFFFAOYSA-N 1 0 383.392 1.044 20 0 GDADRO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[NH2+]1 ZINC000858631801 655751516 /nfs/dbraw/zinc/75/15/16/655751516.db2.gz IIANOLFZLFRMPC-VHSXEESVSA-N 1 0 386.417 1.399 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000858632957 655751683 /nfs/dbraw/zinc/75/16/83/655751683.db2.gz UCBAYXUWFRDDRV-YUMQZZPRSA-N 1 0 397.316 1.716 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])c(Br)cc1F ZINC000858641205 655751764 /nfs/dbraw/zinc/75/17/64/655751764.db2.gz CNEKJQJMOPUAIT-SSDOTTSWSA-N 1 0 383.239 1.343 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(Br)nc1F)C[NH+]1CCCC1 ZINC000858909994 655755554 /nfs/dbraw/zinc/75/55/54/655755554.db2.gz KUSLGCOWXPQPIZ-SNVBAGLBSA-N 1 0 380.283 1.993 20 0 GDADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000859067048 655761456 /nfs/dbraw/zinc/76/14/56/655761456.db2.gz YLXJPBKZDWAGAW-LBPRGKRZSA-N 1 0 379.404 1.902 20 0 GDADRO CN(C)C(=O)CN1CCC(NC(=O)c2cc(Br)cnc2F)CC1 ZINC000859312597 655775284 /nfs/dbraw/zinc/77/52/84/655775284.db2.gz QDXMHIQOAGRQGQ-UHFFFAOYSA-N 1 0 387.253 1.266 20 0 GDADRO CS[C@@H]1CN(C(=O)/C=C\c2ccc(S(C)(=O)=O)o2)C[C@H]1[NH+]1CCCC1 ZINC000860786702 655808049 /nfs/dbraw/zinc/80/80/49/655808049.db2.gz FKAADIMELLYKIH-JFOCPDPESA-N 1 0 384.523 1.735 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000861522300 655824484 /nfs/dbraw/zinc/82/44/84/655824484.db2.gz SCRDXHYPYOBVGF-OAHLLOKOSA-N 1 0 392.253 1.645 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C[NH2+]1 ZINC000861524211 655824550 /nfs/dbraw/zinc/82/45/50/655824550.db2.gz AKJWLNGNVWQUOA-BDAKNGLRSA-N 1 0 382.877 1.392 20 0 GDADRO O=C(NCCSC(F)(F)F)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861562679 655826047 /nfs/dbraw/zinc/82/60/47/655826047.db2.gz VBCCBIRIIFLEOH-MNOVXSKESA-N 1 0 382.408 1.206 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000861594525 655826219 /nfs/dbraw/zinc/82/62/19/655826219.db2.gz KSZFPVRHTIUWBQ-CYBMUJFWSA-N 1 0 388.559 1.454 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)NCCc2ccc(Br)cc2F)C[NH2+]1 ZINC000861771962 655830370 /nfs/dbraw/zinc/83/03/70/655830370.db2.gz LYOVKUPCJMJKSA-MFKMUULPSA-N 1 0 386.265 1.504 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccnc(Cl)c3I)C[C@H]21 ZINC000861910879 655833510 /nfs/dbraw/zinc/83/35/10/655833510.db2.gz BTEOBHSFAOUPLC-JZYVYDRUSA-N 1 0 391.640 1.972 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862369524 655845220 /nfs/dbraw/zinc/84/52/20/655845220.db2.gz VTEMBZHSBMECAZ-RRFJBIMHSA-N 1 0 376.519 1.425 20 0 GDADRO Cc1c(Cl)c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)sc1S(N)(=O)=O ZINC000862792639 655855058 /nfs/dbraw/zinc/85/50/58/655855058.db2.gz BKFXXRVGOMEQOA-JTQLQIEISA-N 1 0 379.935 1.819 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000863764078 655880333 /nfs/dbraw/zinc/88/03/33/655880333.db2.gz PAGVLNZDFOPHDL-SECBINFHSA-N 1 0 376.682 1.867 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000864070334 655889274 /nfs/dbraw/zinc/88/92/74/655889274.db2.gz PHFDJEHLMPWVAP-NXEZZACHSA-N 1 0 388.253 1.925 20 0 GDADRO Cn1nc(I)cc1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000864078633 655889665 /nfs/dbraw/zinc/88/96/65/655889665.db2.gz YUMFEDOZHLAAFC-OKILXGFUSA-N 1 0 388.253 1.439 20 0 GDADRO CC1CC[NH+](CCCNC(=O)c2cc(I)nn2C)CC1 ZINC000864592824 655902878 /nfs/dbraw/zinc/90/28/78/655902878.db2.gz NPLBJPBWBYRNIZ-UHFFFAOYSA-N 1 0 390.269 1.877 20 0 GDADRO CC(C)[NH+](CCNC(=O)c1cc(I)nn1C)C(C)C ZINC000864613349 655903212 /nfs/dbraw/zinc/90/32/12/655903212.db2.gz SIZIPQGYYDTLAO-UHFFFAOYSA-N 1 0 378.258 1.873 20 0 GDADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000865556514 655921826 /nfs/dbraw/zinc/92/18/26/655921826.db2.gz UILXQVOJGMVZHY-GXFFZTMASA-N 1 0 392.319 1.660 20 0 GDADRO COc1cc(C[NH2+]C[C@H](O)[C@@H](C)O)cc(I)c1OC ZINC000865740103 655925596 /nfs/dbraw/zinc/92/55/96/655925596.db2.gz BKPDMLIBSIMZNW-KCJUWKMLSA-N 1 0 381.210 1.140 20 0 GDADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000865747690 655925716 /nfs/dbraw/zinc/92/57/16/655925716.db2.gz PQGQZWGQSCJVNK-VXGBXAGGSA-N 1 0 389.294 1.643 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000865791538 655926748 /nfs/dbraw/zinc/92/67/48/655926748.db2.gz CMVOYYIUXACPPT-CYBMUJFWSA-N 1 0 394.317 1.853 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cnn(C(C)C)c2Br)CC1 ZINC000865792331 655926892 /nfs/dbraw/zinc/92/68/92/655926892.db2.gz UKOMNYIQFAWELW-CYBMUJFWSA-N 1 0 386.338 1.982 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000865818371 655927879 /nfs/dbraw/zinc/92/78/79/655927879.db2.gz RLONCEBIKQYKNG-UHFFFAOYSA-N 1 0 376.404 1.679 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(c3cnn(-c4ccccn4)c(=O)c3Br)CC[C@@H]21 ZINC000866205747 655936099 /nfs/dbraw/zinc/93/60/99/655936099.db2.gz ACYOUTBQERHXEW-STQMWFEESA-N 1 0 390.285 1.920 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000866485396 655946296 /nfs/dbraw/zinc/94/62/96/655946296.db2.gz PYBQDBLHBKYVHO-UHFFFAOYSA-N 1 0 377.913 1.926 20 0 GDADRO O=C1COC[C@]2(C[NH2+][C@@H]3CCc4ccc(Br)cc43)COCCN12 ZINC000866553777 655949180 /nfs/dbraw/zinc/94/91/80/655949180.db2.gz NURMFWJHHGZSAM-WBVHZDCISA-N 1 0 381.270 1.654 20 0 GDADRO CC(C)(C)OC(=O)N1CC(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000866553892 655949190 /nfs/dbraw/zinc/94/91/90/655949190.db2.gz FLAZWEATISBEQN-UHFFFAOYSA-N 1 0 375.535 1.788 20 0 GDADRO O=C1COC[C@@]2(C[NH2+][C@H]3CCc4cc(Br)ccc43)COCCN12 ZINC000866555286 655949306 /nfs/dbraw/zinc/94/93/06/655949306.db2.gz LKOVOAFESZBQNS-DOTOQJQBSA-N 1 0 381.270 1.654 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)cc1Br ZINC000866556407 655949421 /nfs/dbraw/zinc/94/94/21/655949421.db2.gz SWVNPHGTVCAHOZ-SJKOYZFVSA-N 1 0 399.285 1.736 20 0 GDADRO O=C(CNC(=O)CN1CCC[C@@H]2[NH2+]CC[C@@H]21)Nc1ccccc1Br ZINC000866722354 655956742 /nfs/dbraw/zinc/95/67/42/655956742.db2.gz XYDJOMLOHYORPO-GJZGRUSLSA-N 1 0 395.301 1.330 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)[N@H+](C)C1CC1 ZINC000866724192 655956853 /nfs/dbraw/zinc/95/68/53/655956853.db2.gz JICSYLPJWQEXQR-SNVBAGLBSA-N 1 0 379.404 1.948 20 0 GDADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000866734918 655957409 /nfs/dbraw/zinc/95/74/09/655957409.db2.gz LTINGKQLOHGDAV-UHFFFAOYSA-N 1 0 375.535 1.457 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CCO1 ZINC000866742680 655958035 /nfs/dbraw/zinc/95/80/35/655958035.db2.gz BZGUYBJTWCIZEX-BXKDBHETSA-N 1 0 389.271 1.932 20 0 GDADRO CCOC(=O)C1(S(=O)(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CCC1 ZINC000866752998 655959066 /nfs/dbraw/zinc/95/90/66/655959066.db2.gz YUFPBLLOENYZRY-UHFFFAOYSA-N 1 0 376.519 1.281 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000866752607 655959105 /nfs/dbraw/zinc/95/91/05/655959105.db2.gz SSQLYXNBETVDPQ-SJORKVTESA-N 1 0 388.917 1.404 20 0 GDADRO COCC1(CNS(=O)(=O)c2cc3nc(Cl)ncc3s2)CC[NH2+]CC1 ZINC000866764089 655960270 /nfs/dbraw/zinc/96/02/70/655960270.db2.gz QPDFJMKNGBJSQO-UHFFFAOYSA-N 1 0 390.918 1.639 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000866766250 655960544 /nfs/dbraw/zinc/96/05/44/655960544.db2.gz MZBZVJIKTUPDNF-ZDUSSCGKSA-N 1 0 377.304 1.957 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C(F)(F)F ZINC000866765767 655960557 /nfs/dbraw/zinc/96/05/57/655960557.db2.gz BIVJNWUKQDJHCG-MNOVXSKESA-N 1 0 377.388 1.560 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Br)n1 ZINC000866766593 655960662 /nfs/dbraw/zinc/96/06/62/655960662.db2.gz WEDWOYNOAOAPOJ-NWDGAFQWSA-N 1 0 391.335 1.583 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866766650 655960673 /nfs/dbraw/zinc/96/06/73/655960673.db2.gz XMXKGUFFJHVMGV-MNOVXSKESA-N 1 0 377.308 1.573 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)C[C@]3(C)CC3(Cl)Cl)CC2)C1 ZINC000866792791 655964290 /nfs/dbraw/zinc/96/42/90/655964290.db2.gz APLXGCGWUFBCSM-KBPBESRZSA-N 1 0 384.373 1.612 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000866795500 655964600 /nfs/dbraw/zinc/96/46/00/655964600.db2.gz ZKTPENZEPRFXSO-AWEZNQCLSA-N 1 0 375.535 1.457 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000866798290 655964864 /nfs/dbraw/zinc/96/48/64/655964864.db2.gz YFAOCMCGEGLVIE-LLVKDONJSA-N 1 0 394.946 1.800 20 0 GDADRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000866803272 655965454 /nfs/dbraw/zinc/96/54/54/655965454.db2.gz RTARBBQHRHNCJP-UHFFFAOYSA-N 1 0 382.454 1.446 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000866805831 655965733 /nfs/dbraw/zinc/96/57/33/655965733.db2.gz VNFYASLKJZIWIL-DKTWLAJQSA-N 1 0 377.260 1.251 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1F ZINC000866822261 655967121 /nfs/dbraw/zinc/96/71/21/655967121.db2.gz APJIFGCWZAIDFF-RYUDHWBXSA-N 1 0 376.837 1.781 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1F ZINC000866822263 655967126 /nfs/dbraw/zinc/96/71/26/655967126.db2.gz APJIFGCWZAIDFF-VXGBXAGGSA-N 1 0 376.837 1.781 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)C(F)F ZINC000866823902 655967292 /nfs/dbraw/zinc/96/72/92/655967292.db2.gz JTCGFPPMJJBIEB-WDEREUQCSA-N 1 0 380.438 1.198 20 0 GDADRO Cn1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccco2)c1C(F)(F)F ZINC000866947084 655980524 /nfs/dbraw/zinc/98/05/24/655980524.db2.gz LLVXTBYHZUHNNO-UHFFFAOYSA-N 1 0 380.392 1.784 20 0 GDADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866966191 655982617 /nfs/dbraw/zinc/98/26/17/655982617.db2.gz YGWFURMLPVZDGL-NSHDSACASA-N 1 0 379.404 1.902 20 0 GDADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)nc1F ZINC000866982364 655983831 /nfs/dbraw/zinc/98/38/31/655983831.db2.gz ORGJGFPPLYNCPJ-QWHCGFSZSA-N 1 0 391.896 1.920 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)C1 ZINC000866986087 655984315 /nfs/dbraw/zinc/98/43/15/655984315.db2.gz OQUUEOMAJNVAEZ-DXMRWRAPSA-N 1 0 389.518 1.943 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)nc1F ZINC000866996013 655985591 /nfs/dbraw/zinc/98/55/91/655985591.db2.gz MSSRDIXRLXZYBS-WOPDTQHZSA-N 1 0 377.869 1.746 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000867032811 655989486 /nfs/dbraw/zinc/98/94/86/655989486.db2.gz WBTCNDJTGBOEHU-KFWWJZLASA-N 1 0 398.400 1.858 20 0 GDADRO CCC(CC)[C@@H](CNS(=O)(=O)c1cnn(C)c1Br)[NH+](C)C ZINC000867146266 656002018 /nfs/dbraw/zinc/00/20/18/656002018.db2.gz CWQPREWIMSXBJL-LLVKDONJSA-N 1 0 381.340 1.827 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000867147616 656002430 /nfs/dbraw/zinc/00/24/30/656002430.db2.gz MEYGTPRJIHTUBU-NSHDSACASA-N 1 0 381.329 1.693 20 0 GDADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc3onc(Cl)c3c2)CC1(C)C ZINC000867230860 656018272 /nfs/dbraw/zinc/01/82/72/656018272.db2.gz RJXPDEDADBNDCB-UHFFFAOYSA-N 1 0 386.905 1.786 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2CC(C[NH+](C)C)C2)c(F)cc1Cl ZINC000867323765 656038206 /nfs/dbraw/zinc/03/82/06/656038206.db2.gz KQDXLWJIKKNIML-UHFFFAOYSA-N 1 0 378.853 1.838 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cnc1Cl ZINC000867399604 656052740 /nfs/dbraw/zinc/05/27/40/656052740.db2.gz FLFHPLHNUCMIHG-UHFFFAOYSA-N 1 0 389.905 1.619 20 0 GDADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1cnn(C)c1Br ZINC000867416477 656056631 /nfs/dbraw/zinc/05/66/31/656056631.db2.gz SJTZEQFNJFMVMZ-UHFFFAOYSA-N 1 0 379.324 1.678 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000867467991 656066915 /nfs/dbraw/zinc/06/69/15/656066915.db2.gz SAYOYKXYAYPDLK-UHFFFAOYSA-N 1 0 375.535 1.601 20 0 GDADRO Cn1ncc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1Br ZINC000867516747 656074711 /nfs/dbraw/zinc/07/47/11/656074711.db2.gz JCIMMHCFERSSFK-LLVKDONJSA-N 1 0 391.335 1.868 20 0 GDADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1nc[nH]c1Br ZINC000867539883 656081005 /nfs/dbraw/zinc/08/10/05/656081005.db2.gz QCKOHBKIVHQCCV-LLVKDONJSA-N 1 0 377.308 1.573 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867577937 656087412 /nfs/dbraw/zinc/08/74/12/656087412.db2.gz HTCKOIYKAQETDC-WFASDCNBSA-N 1 0 397.317 1.299 20 0 GDADRO Cn1ncc(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)c1Br ZINC000867742691 656107655 /nfs/dbraw/zinc/10/76/55/656107655.db2.gz SZDBLWHGZHEVLC-UHFFFAOYSA-N 1 0 379.324 1.724 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)s1 ZINC000867810139 656119897 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CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868423187 656155244 /nfs/dbraw/zinc/15/52/44/656155244.db2.gz YEINXNMANOVPEY-OLZOCXBDSA-N 1 0 386.315 1.822 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000870877573 656251329 /nfs/dbraw/zinc/25/13/29/656251329.db2.gz CUBBSOZHUDYBMV-JCKWVBRZSA-N 1 0 392.297 1.861 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000870878656 656251483 /nfs/dbraw/zinc/25/14/83/656251483.db2.gz JMCMMFKNJHNBLB-KANYHAFZSA-N 1 0 376.258 1.978 20 0 GDADRO Cn1cc(CN2CCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)CC2)cn1 ZINC000870883051 656251630 /nfs/dbraw/zinc/25/16/30/656251630.db2.gz KNIHOAJQOQXGAA-INIZCTEOSA-N 1 0 392.301 1.527 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1cccc(Br)c1 ZINC000870914976 656254920 /nfs/dbraw/zinc/25/49/20/656254920.db2.gz YLZPZLQSXWVVBP-IMJJTQAJSA-N 1 0 380.286 1.837 20 0 GDADRO CC(=O)N[C@@H](C(=O)NCCCN1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000870933553 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C/C(=C/c1ccc(Br)o1)C(=O)NCC[N@@H+](C)CCOCCO ZINC000922127667 656458863 /nfs/dbraw/zinc/45/88/63/656458863.db2.gz AFMUPNBDDMIIOH-QXMHVHEDSA-N 1 0 375.263 1.502 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)nc1Br ZINC000874369702 656465995 /nfs/dbraw/zinc/46/59/95/656465995.db2.gz VIMIEZNHBBKXCJ-NEPJUHHUSA-N 1 0 381.274 1.786 20 0 GDADRO CCn1c(C[NH2+][C@H]2CCOC[C@@H]2O)nc(Br)c1Br ZINC000922293771 656466509 /nfs/dbraw/zinc/46/65/09/656466509.db2.gz HXMMAKIFTLDDJR-YUMQZZPRSA-N 1 0 383.084 1.667 20 0 GDADRO O=C(NC1CCN(c2nccs2)CC1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922337878 656469060 /nfs/dbraw/zinc/46/90/60/656469060.db2.gz LVZYLQMQBCWAJY-CABCVRRESA-N 1 0 381.571 1.991 20 0 GDADRO CN1C[C@@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1=O ZINC000922485259 656482091 /nfs/dbraw/zinc/48/20/91/656482091.db2.gz WQBZXDSVJLUBCS-NSHDSACASA-N 1 0 390.303 1.055 20 0 GDADRO O=C(N[C@@H]1CCc2cc(Br)ccc2NC1=O)C12CC[NH+](CC1)C2 ZINC000922511129 656487059 /nfs/dbraw/zinc/48/70/59/656487059.db2.gz 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Cn1cc(Br)c(CN[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001019169994 657739496 /nfs/dbraw/zinc/73/94/96/657739496.db2.gz UQLSOISHJSXONH-OTSLLENHSA-N 1 0 395.301 1.297 20 0 GDADRO COc1cc(Cl)c(C)cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000887032564 657740361 /nfs/dbraw/zinc/74/03/61/657740361.db2.gz DRNNXONKUGXWAY-JTQLQIEISA-N 1 0 375.803 1.957 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000887034415 657740599 /nfs/dbraw/zinc/74/05/99/657740599.db2.gz UOLWHDKTXUSJAW-MRVPVSSYSA-N 1 0 380.367 1.696 20 0 GDADRO CCN(C(=O)C(=O)N(C)C[C@H](O)c1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000887070843 657751425 /nfs/dbraw/zinc/75/14/25/657751425.db2.gz UTULDLUQXWPOMX-DOMZBBRYSA-N 1 0 398.301 1.151 20 0 GDADRO CNC(=O)C1([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000887091155 657754250 /nfs/dbraw/zinc/75/42/50/657754250.db2.gz BGXIZHRXCKSOGZ-CYBMUJFWSA-N 1 0 377.268 1.618 20 0 GDADRO OC1(Cc2cn(-c3ccc(I)cc3)nn2)CC[NH2+]CC1 ZINC000887407930 657779712 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GDADRO O=C(NCc1nc2cc(Br)ccc2o1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897773370 658889138 /nfs/dbraw/zinc/88/91/38/658889138.db2.gz JYRJMSYBXGZWHI-LBPRGKRZSA-N 1 0 380.242 1.927 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897918601 658900851 /nfs/dbraw/zinc/90/08/51/658900851.db2.gz GYNKMZKITJOVLC-OAHLLOKOSA-N 1 0 397.269 1.104 20 0 GDADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897972385 658906291 /nfs/dbraw/zinc/90/62/91/658906291.db2.gz QJYZNQJJJUGQEU-JKSUJKDBSA-N 1 0 383.286 1.662 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCOC23CCOCC3)c(I)n1 ZINC000898112477 658916410 /nfs/dbraw/zinc/91/64/10/658916410.db2.gz NHJKFJNZWCKTHV-NSHDSACASA-N 1 0 377.226 1.452 20 0 GDADRO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000898368770 658929131 /nfs/dbraw/zinc/92/91/31/658929131.db2.gz PYGYAUJUCQADRA-GFCCVEGCSA-N 1 0 382.873 1.608 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ncc(Br)cn1 ZINC000898392027 658932141 /nfs/dbraw/zinc/93/21/41/658932141.db2.gz AVURCHRTSDTWAK-GFCCVEGCSA-N 1 0 385.310 1.064 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC([NH+]2CCCC2)C1 ZINC000898613885 658942532 /nfs/dbraw/zinc/94/25/32/658942532.db2.gz XWDWQHNCJCLZPR-UHFFFAOYSA-N 1 0 391.269 1.466 20 0 GDADRO O=C(C[C@@H]1CCCS(=O)(=O)C1)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899047718 658978749 /nfs/dbraw/zinc/97/87/49/658978749.db2.gz SPPYIBCOLIVSFF-NSHDSACASA-N 1 0 384.889 1.865 20 0 GDADRO O=C(N[C@H]1COc2cccc(Br)c2C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899182336 658992197 /nfs/dbraw/zinc/99/21/97/658992197.db2.gz XXBSEOHDQXUOSU-CHWSQXEVSA-N 1 0 381.270 1.590 20 0 GDADRO O=S(=O)(C[C@H]1CCCC[NH2+]C1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000899629236 659037563 /nfs/dbraw/zinc/03/75/63/659037563.db2.gz BWIIFLIYKIQCJO-HNNXBMFYSA-N 1 0 386.539 1.635 20 0 GDADRO Cc1cc(I)cc(C(=O)NCC[N@H+](C)CCO)c1C ZINC000899734577 659056815 /nfs/dbraw/zinc/05/68/15/659056815.db2.gz LIJRCCXTORIOPH-UHFFFAOYSA-N 1 0 376.238 1.562 20 0 GDADRO CC1CC[NH+](CCCNC(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000900002837 659083442 /nfs/dbraw/zinc/08/34/42/659083442.db2.gz VDCJCCURLNCPLV-UHFFFAOYSA-N 1 0 385.555 1.664 20 0 GDADRO C[NH+]1CCN(CCNC(=O)COCCc2ccc(Br)cc2)CC1 ZINC000900043158 659084412 /nfs/dbraw/zinc/08/44/12/659084412.db2.gz IQXSTTKEUHSJRS-UHFFFAOYSA-N 1 0 384.318 1.372 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000900317043 659099472 /nfs/dbraw/zinc/09/94/72/659099472.db2.gz YYXOBNOVKFTVEU-QGZVFWFLSA-N 1 0 398.301 1.142 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000900430563 659106710 /nfs/dbraw/zinc/10/67/10/659106710.db2.gz DDITUXAXJMAMHO-AWEZNQCLSA-N 1 0 394.273 1.164 20 0 GDADRO COC(=O)[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000900430871 659106720 /nfs/dbraw/zinc/10/67/20/659106720.db2.gz VMULXTDDCUICPD-HUUCEWRRSA-N 1 0 397.269 1.500 20 0 GDADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1CN(S(C)(=O)=O)C1 ZINC000900437865 659107149 /nfs/dbraw/zinc/10/71/49/659107149.db2.gz ZVXOQJZQWCLTPA-UHFFFAOYSA-N 1 0 383.539 1.374 20 0 GDADRO CC[NH+]1CCC(N(C)C(=O)c2nn(C)cc2I)CC1 ZINC000900517167 659118070 /nfs/dbraw/zinc/11/80/70/659118070.db2.gz IXGHWAROXDHGJG-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H](O)c1cccc(Br)c1 ZINC000900646376 659130249 /nfs/dbraw/zinc/13/02/49/659130249.db2.gz AXINREVFNGGIQT-INIZCTEOSA-N 1 0 384.318 1.578 20 0 GDADRO C[C@H](NC(=O)CCOc1ccccc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000900804375 659147729 /nfs/dbraw/zinc/14/77/29/659147729.db2.gz MDOYELWPUJBUAF-DZGCQCFKSA-N 1 0 384.318 1.969 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000900822733 659150703 /nfs/dbraw/zinc/15/07/03/659150703.db2.gz QNHNCOUXPHOVCL-BBRMVZONSA-N 1 0 385.555 1.615 20 0 GDADRO CC[NH+]1CCC(NC(=O)Cn2cccc(I)c2=O)CC1 ZINC000902474585 659256951 /nfs/dbraw/zinc/25/69/51/659256951.db2.gz JZYYEKMIVDIIGB-UHFFFAOYSA-N 1 0 389.237 1.053 20 0 GDADRO O=c1oc2cc(Br)ccc2n1CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000902644844 659269521 /nfs/dbraw/zinc/26/95/21/659269521.db2.gz QRLHUYCJICTSNW-KGLIPLIRSA-N 1 0 396.285 1.846 20 0 GDADRO O=C1c2cccc(Br)c2CN1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000902644801 659269531 /nfs/dbraw/zinc/26/95/31/659269531.db2.gz QEDLVQZEKROSFT-DLBZAZTESA-N 1 0 394.313 1.893 20 0 GDADRO O=C1c2c(cccc2Br)CN1CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000902642653 659269634 /nfs/dbraw/zinc/26/96/34/659269634.db2.gz BYGWNAPROFXSGY-HOTGVXAUSA-N 1 0 394.313 1.893 20 0 GDADRO C[C@H]1[C@@H]([NH2+]CCCN2CCCS2(=O)=O)CCCN1C(=O)OC(C)(C)C ZINC000902857602 659282128 /nfs/dbraw/zinc/28/21/28/659282128.db2.gz TUNAXUFAZXLDGL-GJZGRUSLSA-N 1 0 375.535 1.790 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)C1CCS(=O)(=O)CC1 ZINC000903173416 659298544 /nfs/dbraw/zinc/29/85/44/659298544.db2.gz OKODYYXINYQRPA-CQSZACIVSA-N 1 0 388.555 1.381 20 0 GDADRO COc1ccc(C[C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c(C)c1OC ZINC000903225535 659305048 /nfs/dbraw/zinc/30/50/48/659305048.db2.gz ISOCLKQIJWHPTN-LBPRGKRZSA-N 1 0 392.543 1.590 20 0 GDADRO COc1ccc(C[C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c(C)c1OC ZINC000903225534 659305298 /nfs/dbraw/zinc/30/52/98/659305298.db2.gz ISOCLKQIJWHPTN-GFCCVEGCSA-N 1 0 392.543 1.590 20 0 GDADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)CC3 ZINC000903227139 659306307 /nfs/dbraw/zinc/30/63/07/659306307.db2.gz QYJVQHOLSFSVOH-ZDUSSCGKSA-N 1 0 383.539 1.981 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2cccc(F)c2Br)C1 ZINC000903476043 659316178 /nfs/dbraw/zinc/31/61/78/659316178.db2.gz LOFHUTWFJJPDSJ-BNOWGMLFSA-N 1 0 384.249 1.955 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000903492630 659317946 /nfs/dbraw/zinc/31/79/46/659317946.db2.gz ICAACDYRXYTALK-VYHVBIQSSA-N 1 0 396.285 1.188 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(I)s1 ZINC000903518293 659325388 /nfs/dbraw/zinc/32/53/88/659325388.db2.gz YWXVLMSTSNCYEV-QMMMGPOBSA-N 1 0 386.280 1.725 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)NCC1([NH3+])CC1 ZINC000903524688 659329195 /nfs/dbraw/zinc/32/91/95/659329195.db2.gz VRTDSRKBZBAYIC-UHFFFAOYSA-N 1 0 379.276 1.244 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC000903525845 659329871 /nfs/dbraw/zinc/32/98/71/659329871.db2.gz SGZLIUCAIVLOHY-RKDXNWHRSA-N 1 0 381.267 1.812 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC[C@H]1F ZINC000903525728 659330016 /nfs/dbraw/zinc/33/00/16/659330016.db2.gz YKGJGMDUUMYRCC-GHMZBOCLSA-N 1 0 395.250 1.379 20 0 GDADRO C[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000903532490 659331520 /nfs/dbraw/zinc/33/15/20/659331520.db2.gz HSTIEWCRZBRUDH-SMDDNHRTSA-N 1 0 377.304 1.460 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000903536962 659332863 /nfs/dbraw/zinc/33/28/63/659332863.db2.gz LWBPOTXPPOSJLK-NHYWBVRUSA-N 1 0 394.465 1.575 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)Cc1ncsc1Br ZINC000903539572 659333261 /nfs/dbraw/zinc/33/32/61/659333261.db2.gz FKHBFFUZMOQRKQ-UHFFFAOYSA-N 1 0 384.321 1.175 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cnc(Cl)c(Cl)c1 ZINC000903545416 659336180 /nfs/dbraw/zinc/33/61/80/659336180.db2.gz QSPGIAGZTBOQLF-SNVBAGLBSA-N 1 0 380.297 1.825 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1ccc(OC)c(Cl)c1)C2 ZINC000903551232 659338415 /nfs/dbraw/zinc/33/84/15/659338415.db2.gz AMRBVGXBFIHIQH-USBNGQNGSA-N 1 0 388.873 1.250 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000903554211 659339486 /nfs/dbraw/zinc/33/94/86/659339486.db2.gz JXHIOKSGKHIMMD-LBPRGKRZSA-N 1 0 379.404 1.255 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903561677 659341628 /nfs/dbraw/zinc/34/16/28/659341628.db2.gz SSPNDSNQDXDFCF-WHGOUJPWSA-N 1 0 379.251 1.768 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1Br ZINC000903563597 659342177 /nfs/dbraw/zinc/34/21/77/659342177.db2.gz BFPROTLCEFIGRL-DVVUODLYSA-N 1 0 391.287 1.638 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000903564043 659342467 /nfs/dbraw/zinc/34/24/67/659342467.db2.gz OFQJJDZUVUFNQP-UHFFFAOYSA-N 1 0 394.310 1.431 20 0 GDADRO CCc1ncc(S(=O)(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)s1 ZINC000903564231 659342626 /nfs/dbraw/zinc/34/26/26/659342626.db2.gz RKIKWJOQOBVXCY-UHFFFAOYSA-N 1 0 380.539 1.589 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)NCCN2CCC([NH3+])CC2)cc1Cl ZINC000903566234 659343452 /nfs/dbraw/zinc/34/34/52/659343452.db2.gz MOCPWYYEXJVLDF-UHFFFAOYSA-N 1 0 382.313 1.703 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@H]1C(F)(F)F ZINC000903569374 659344334 /nfs/dbraw/zinc/34/43/34/659344334.db2.gz AMSZKJGYRXZMAX-PSASIEDQSA-N 1 0 397.806 1.735 20 0 GDADRO Cn1cnc(S(=O)(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1Cl ZINC000903574489 659346075 /nfs/dbraw/zinc/34/60/75/659346075.db2.gz SDNMFJYXTZCGDR-LRDDRELGSA-N 1 0 382.873 1.608 20 0 GDADRO CN(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903579554 659350230 /nfs/dbraw/zinc/35/02/30/659350230.db2.gz OWBDSEBXMMZGFM-STQMWFEESA-N 1 0 379.404 1.289 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903581769 659352206 /nfs/dbraw/zinc/35/22/06/659352206.db2.gz ZETSJTAWDKLJTA-SVRRBLITSA-N 1 0 380.314 1.339 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@]34CC[NH2+]C4)c(Cl)cc21 ZINC000903591532 659356783 /nfs/dbraw/zinc/35/67/83/659356783.db2.gz FRHIKQJXHDJWFF-KRWDZBQOSA-N 1 0 383.901 1.766 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903597195 659358120 /nfs/dbraw/zinc/35/81/20/659358120.db2.gz UYQAFWSOYVLGJN-ZDUSSCGKSA-N 1 0 392.262 1.808 20 0 GDADRO CN(Cc1ccc(Cl)c(F)c1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903757574 659379111 /nfs/dbraw/zinc/37/91/11/659379111.db2.gz ZXRBJOUKPALUMZ-BXKDBHETSA-N 1 0 381.757 1.786 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C[C@H]1[NH3+] ZINC000903763143 659379483 /nfs/dbraw/zinc/37/94/83/659379483.db2.gz NZSFQDHZMBEDOQ-ZIAGYGMSSA-N 1 0 395.301 1.703 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903792869 659380822 /nfs/dbraw/zinc/38/08/22/659380822.db2.gz UBCVNMQQCOANOA-JTQLQIEISA-N 1 0 384.249 1.280 20 0 GDADRO O=C(C(=O)N1CCS[C@H](C(F)(F)F)C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000903798570 659381221 /nfs/dbraw/zinc/38/12/21/659381221.db2.gz VCOJDQVLVGRCDY-XQQFMLRXSA-N 1 0 379.448 1.341 20 0 GDADRO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000903800361 659381563 /nfs/dbraw/zinc/38/15/63/659381563.db2.gz INXIQEYYGDAXPA-MELADBBJSA-N 1 0 379.258 1.080 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903803301 659382103 /nfs/dbraw/zinc/38/21/03/659382103.db2.gz ZVNBBIKKDOGCHB-KGLIPLIRSA-N 1 0 381.274 1.457 20 0 GDADRO O=C1NCCN(CC[C@H]2CC[NH2+]C2)[C@H]1c1ccc(I)cc1 ZINC000903825633 659382652 /nfs/dbraw/zinc/38/26/52/659382652.db2.gz BSDTVFNUYMTWCF-DOMZBBRYSA-N 1 0 399.276 1.764 20 0 GDADRO Brc1cnn(C2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903908287 659389272 /nfs/dbraw/zinc/38/92/72/659389272.db2.gz GDDXORFIGOBLTD-HNNXBMFYSA-N 1 0 394.321 1.999 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000903969223 659390801 /nfs/dbraw/zinc/39/08/01/659390801.db2.gz CZJDRGYYHFARAF-SFHVURJKSA-N 1 0 385.961 1.671 20 0 GDADRO COc1cc(Cl)ccc1-c1noc(C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@H]23)n1 ZINC000904112391 659395737 /nfs/dbraw/zinc/39/57/37/659395737.db2.gz GBQGLVCVYWUWBS-GAJTVXKRSA-N 1 0 383.857 1.574 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000904279764 659398475 /nfs/dbraw/zinc/39/84/75/659398475.db2.gz ZAXWHTZAWRTLDV-GFCCVEGCSA-N 1 0 377.413 1.525 20 0 GDADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904359005 659399803 /nfs/dbraw/zinc/39/98/03/659399803.db2.gz CEKQKXBDIZOZSH-YNEHKIRRSA-N 1 0 387.889 1.778 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)cc1C(=O)OC ZINC000904388807 659399893 /nfs/dbraw/zinc/39/98/93/659399893.db2.gz BOGBFPCIBMZPDO-LLVKDONJSA-N 1 0 386.246 1.688 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000904407275 659400151 /nfs/dbraw/zinc/40/01/51/659400151.db2.gz SCVQELBZNXDGHM-KRWDZBQOSA-N 1 0 384.318 1.571 20 0 GDADRO O=C(Nc1cnc(N2CCOCC2)c(Br)c1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904470511 659401950 /nfs/dbraw/zinc/40/19/50/659401950.db2.gz YRCRHOMNTKUKLO-ZLKJLUDKSA-N 1 0 396.289 1.695 20 0 GDADRO COCCOc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1Br ZINC000904550595 659403819 /nfs/dbraw/zinc/40/38/19/659403819.db2.gz GYEMGPNIPOOLIW-LBPRGKRZSA-N 1 0 388.262 1.584 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000904998869 659416157 /nfs/dbraw/zinc/41/61/57/659416157.db2.gz DQLMTBYASSPNSG-DYVFJYSZSA-N 1 0 380.286 1.747 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905006551 659416869 /nfs/dbraw/zinc/41/68/69/659416869.db2.gz IWBCPVFIJGFJNO-ZUZCIYMTSA-N 1 0 386.315 1.809 20 0 GDADRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000905033188 659418140 /nfs/dbraw/zinc/41/81/40/659418140.db2.gz AAUFBBXAEDZPOY-LLVKDONJSA-N 1 0 376.347 1.633 20 0 GDADRO O=C(CC[NH2+]C[C@H](O)C1(O)CCOCC1)Nc1ccc(Br)cc1 ZINC000905059206 659419766 /nfs/dbraw/zinc/41/97/66/659419766.db2.gz LORNCZRAWQVZKU-AWEZNQCLSA-N 1 0 387.274 1.270 20 0 GDADRO O[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1(O)CCOCC1 ZINC000905067406 659420316 /nfs/dbraw/zinc/42/03/16/659420316.db2.gz ZNXBUEWMJUSMAP-AWEZNQCLSA-N 1 0 388.258 1.212 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905104051 659424419 /nfs/dbraw/zinc/42/44/19/659424419.db2.gz DDNHPGPAOOIFRL-OAHLLOKOSA-N 1 0 385.302 1.663 20 0 GDADRO CCC1(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCOCC1 ZINC000905146013 659427180 /nfs/dbraw/zinc/42/71/80/659427180.db2.gz LOMRJJWIGIIRHH-OAHLLOKOSA-N 1 0 376.563 1.784 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000905352726 659445836 /nfs/dbraw/zinc/44/58/36/659445836.db2.gz UNORIVXDZZFSDZ-MRXNPFEDSA-N 1 0 386.539 1.823 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCCC3)c(Cl)s1 ZINC000905353986 659446214 /nfs/dbraw/zinc/44/62/14/659446214.db2.gz NZJQVDIOBQLSQK-JTQLQIEISA-N 1 0 398.959 1.758 20 0 GDADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000905359152 659447000 /nfs/dbraw/zinc/44/70/00/659447000.db2.gz LHRLFDZUKACRDI-INIZCTEOSA-N 1 0 386.539 1.489 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000905478515 659457307 /nfs/dbraw/zinc/45/73/07/659457307.db2.gz OVUPGGCOGRABEL-ZDUSSCGKSA-N 1 0 377.304 1.496 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000905478241 659457442 /nfs/dbraw/zinc/45/74/42/659457442.db2.gz MGYBHOPMDOUEPQ-CYBMUJFWSA-N 1 0 397.324 1.747 20 0 GDADRO CN(C[C@@H](O)C[NH2+]CC1CCC(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000905509341 659460604 /nfs/dbraw/zinc/46/06/04/659460604.db2.gz PTNGANKFCQWIKY-SLTAFYQDSA-N 1 0 378.535 1.407 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@H](O)c2cccc(Br)c2)CCS(=O)(=O)C1 ZINC000905557926 659464779 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GDADRO O=c1ccn(CCC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c(=O)[nH]1 ZINC000905704201 659478088 /nfs/dbraw/zinc/47/80/88/659478088.db2.gz VTHTVVGPORDKKD-NSHDSACASA-N 1 0 388.251 1.675 20 0 GDADRO CC(C)n1cc(Br)c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000906081896 659519182 /nfs/dbraw/zinc/51/91/82/659519182.db2.gz LGSKOYOMLPFMAI-UHFFFAOYSA-N 1 0 386.294 1.073 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C)nc1I ZINC000906173598 659523904 /nfs/dbraw/zinc/52/39/04/659523904.db2.gz SGOOICHTIMEUPH-SNVBAGLBSA-N 1 0 376.242 1.629 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cnnn1-c1ccccc1Br ZINC000906650940 659564945 /nfs/dbraw/zinc/56/49/45/659564945.db2.gz POZYOTBXTOVKLZ-LBPRGKRZSA-N 1 0 393.289 1.005 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)CC1 ZINC000906672010 659567998 /nfs/dbraw/zinc/56/79/98/659567998.db2.gz UJKFESFIJGBHSX-UHFFFAOYSA-N 1 0 381.889 1.782 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(I)c1 ZINC000906705193 659574051 /nfs/dbraw/zinc/57/40/51/659574051.db2.gz FHLXHVLJODFSBR-LLVKDONJSA-N 1 0 387.221 1.344 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906728062 659576897 /nfs/dbraw/zinc/57/68/97/659576897.db2.gz GGIFNPBQXKOLMG-JFUSQASVSA-N 1 0 385.205 1.239 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000906746866 659580374 /nfs/dbraw/zinc/58/03/74/659580374.db2.gz FMLYGEGPVJXQBR-NSHDSACASA-N 1 0 380.495 1.647 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906801338 659590419 /nfs/dbraw/zinc/59/04/19/659590419.db2.gz DJTGGGJLQGSGIH-UHFFFAOYSA-N 1 0 386.290 1.644 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)oc1Cl ZINC000906875053 659606079 /nfs/dbraw/zinc/60/60/79/659606079.db2.gz USFIQAFHJRAPHS-NSHDSACASA-N 1 0 376.862 1.969 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1I ZINC000906929210 659620305 /nfs/dbraw/zinc/62/03/05/659620305.db2.gz WUMPATKZZDFTBL-MNOVXSKESA-N 1 0 388.253 1.724 20 0 GDADRO CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000906952563 659626930 /nfs/dbraw/zinc/62/69/30/659626930.db2.gz GTBQRGVTVVQVSS-GFCCVEGCSA-N 1 0 385.452 1.539 20 0 GDADRO COC(=O)CCN1CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)[C@@H](C)C1 ZINC000907219232 659701027 /nfs/dbraw/zinc/70/10/27/659701027.db2.gz OLNLNHSDPKFIJJ-VHSXEESVSA-N 1 0 375.680 1.203 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000907518023 659771745 /nfs/dbraw/zinc/77/17/45/659771745.db2.gz LUHVIRPMTJUNAL-WDEREUQCSA-N 1 0 389.283 1.032 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)cc1 ZINC000907694214 659811666 /nfs/dbraw/zinc/81/16/66/659811666.db2.gz RPGALIDNJLOZFV-QGZVFWFLSA-N 1 0 386.539 1.336 20 0 GDADRO C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)C1 ZINC000907736134 659818648 /nfs/dbraw/zinc/81/86/48/659818648.db2.gz DZBXNPUAFAGOGT-YJBOKZPZSA-N 1 0 399.329 1.563 20 0 GDADRO O=S(=O)(Cc1cc(Cl)ccc1F)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000908007712 659853030 /nfs/dbraw/zinc/85/30/30/659853030.db2.gz QXPGZFUWGNLLOY-JKSUJKDBSA-N 1 0 376.881 1.840 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3nscc3I)C2)C1 ZINC000908363901 659901200 /nfs/dbraw/zinc/90/12/00/659901200.db2.gz VFMBDSNQHAUKEL-LBPRGKRZSA-N 1 0 377.251 1.916 20 0 GDADRO O=C(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)NCC[NH+]1CCCCCC1 ZINC000908377691 659902593 /nfs/dbraw/zinc/90/25/93/659902593.db2.gz NJMWEONBQIKLJD-LLVKDONJSA-N 1 0 388.723 1.216 20 0 GDADRO C[NH+](C)CCn1nccc1NC(=O)c1nscc1I ZINC000908442759 659908697 /nfs/dbraw/zinc/90/86/97/659908697.db2.gz RSXXYJJIKCFYRV-UHFFFAOYSA-N 1 0 391.238 1.758 20 0 GDADRO C[C@@H]1CN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C[C@H](C)[N@H+]1CCO ZINC000909031973 659938644 /nfs/dbraw/zinc/93/86/44/659938644.db2.gz GUIIIGQAVLTAJZ-PHIMTYICSA-N 1 0 389.283 1.032 20 0 GDADRO Cc1cc(OC(F)F)c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)s1 ZINC000909322826 659945749 /nfs/dbraw/zinc/94/57/49/659945749.db2.gz LFVLINOUVYOXKZ-UHFFFAOYSA-N 1 0 375.441 1.990 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)C1 ZINC000910672046 659978087 /nfs/dbraw/zinc/97/80/87/659978087.db2.gz BOPUOIDFHMJDPI-OLZOCXBDSA-N 1 0 381.464 1.683 20 0 GDADRO CCN1CC[C@H]1CNC(=O)C(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000910717378 659981593 /nfs/dbraw/zinc/98/15/93/659981593.db2.gz WVAKSONBUDDZAP-WFASDCNBSA-N 1 0 398.301 1.151 20 0 GDADRO CCN1CC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000910719900 659981745 /nfs/dbraw/zinc/98/17/45/659981745.db2.gz BRQNFZRLKIGLGY-DZGCQCFKSA-N 1 0 395.301 1.718 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000910931315 659988973 /nfs/dbraw/zinc/98/89/73/659988973.db2.gz OPQMMMDURXSFSM-WDEREUQCSA-N 1 0 389.283 1.032 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000910950355 659989123 /nfs/dbraw/zinc/98/91/23/659989123.db2.gz OSRBZQPXDLHNNW-DYVFJYSZSA-N 1 0 382.917 1.424 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C[C@H]1C[NH3+] ZINC000911039940 659991791 /nfs/dbraw/zinc/99/17/91/659991791.db2.gz MHWDVFRNBJIOFF-GYSYKLTISA-N 1 0 396.285 1.442 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000911039917 659991842 /nfs/dbraw/zinc/99/18/42/659991842.db2.gz LXTOJPVICPNSDW-KXUCPTDWSA-N 1 0 376.404 1.407 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)c1nc(C(F)(F)F)cs1 ZINC000911039131 659991856 /nfs/dbraw/zinc/99/18/56/659991856.db2.gz IXGRFVMLGIHBIF-OTYXRUKQSA-N 1 0 376.404 1.694 20 0 GDADRO O=C(NC[C@@H]1CSCCS1)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000911079687 659993672 /nfs/dbraw/zinc/99/36/72/659993672.db2.gz OELHPMCUWGSLPJ-GDBMZVCRSA-N 1 0 385.599 1.580 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)C(=O)NCc1ccccc1Br ZINC000911088665 659994019 /nfs/dbraw/zinc/99/40/19/659994019.db2.gz UQDWQUBNNPZAQB-GUYCJALGSA-N 1 0 380.286 1.795 20 0 GDADRO CN(C(=O)C(=O)NCc1ccsc1Br)C1(C[NH3+])CCOCC1 ZINC000911096855 659994159 /nfs/dbraw/zinc/99/41/59/659994159.db2.gz LSIPXIGIBUVXQM-UHFFFAOYSA-N 1 0 390.303 1.093 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)C(=O)NCc1ccsc1Br ZINC000911095196 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Cc1nc2ccccc2c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164868524 721266537 /nfs/dbraw/zinc/26/65/37/721266537.db2.gz AIDJXHKCIYYMHD-UHFFFAOYSA-N 1 0 397.523 1.945 20 0 GDADRO Cc1cccc2c1ncnc2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164868553 721266562 /nfs/dbraw/zinc/26/65/62/721266562.db2.gz BTFNKTJKNIPCCX-UHFFFAOYSA-N 1 0 397.523 1.945 20 0 GDADRO COc1cnc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164885583 721383065 /nfs/dbraw/zinc/38/30/65/721383065.db2.gz CQFHPPCPKSHQBI-BEFAXECRSA-N 1 0 395.935 1.904 20 0 GDADRO COC(=O)c1cccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164892116 721383324 /nfs/dbraw/zinc/38/33/24/721383324.db2.gz RPHHYFIVWVQSOR-UWJYYQICSA-N 1 0 388.512 1.634 20 0 GDADRO COc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1OC ZINC001164886337 721410124 /nfs/dbraw/zinc/41/01/24/721410124.db2.gz JCRFZNCCKYXULC-UZLBHIALSA-N 1 0 391.516 1.259 20 0 GDADRO [NH3+]C1CCN(c2ccnc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)n2)CC1 ZINC001164791076 721418857 /nfs/dbraw/zinc/41/88/57/721418857.db2.gz ZFZTWRIMOFNKLN-GJZGRUSLSA-N 1 0 385.541 1.429 20 0 GDADRO CCc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c(Cl)nc1C ZINC001164796436 721522559 /nfs/dbraw/zinc/52/25/59/721522559.db2.gz YOBDEMYVLKAGSZ-UHFFFAOYSA-N 1 0 389.935 1.965 20 0 GDADRO NC(=O)c1nc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164910250 721540718 /nfs/dbraw/zinc/54/07/18/721540718.db2.gz TZIYVJXGZZEGRE-OCCSQVGLSA-N 1 0 391.834 1.710 20 0 GDADRO COCCOc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164910878 721555686 /nfs/dbraw/zinc/55/56/86/721555686.db2.gz XMUDJKXANLYIFR-SJLPKXTDSA-N 1 0 388.443 1.983 20 0 GDADRO CNC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164809377 721567996 /nfs/dbraw/zinc/56/79/96/721567996.db2.gz WQNQUNJQMWHTPD-BJLQDIEVSA-N 1 0 381.480 1.704 20 0 GDADRO CNC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164809379 721568086 /nfs/dbraw/zinc/56/80/86/721568086.db2.gz WQNQUNJQMWHTPD-HBFSDRIKSA-N 1 0 381.480 1.704 20 0 GDADRO Cc1cnc2n1CCN(C)C21CCN(c2nccc(C3CC[NH2+]CC3)n2)CC1 ZINC001164918668 721817482 /nfs/dbraw/zinc/81/74/82/721817482.db2.gz RAGIRYPCRAQNMJ-UHFFFAOYSA-N 1 0 381.528 1.890 20 0 GDADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164922045 721848817 /nfs/dbraw/zinc/84/88/17/721848817.db2.gz QAKJHTRAVOLWNE-HUUCEWRRSA-N 1 0 379.530 1.590 20 0 GDADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[NH+](C3CCCC3)CC2)c1 ZINC001165032621 721858538 /nfs/dbraw/zinc/85/85/38/721858538.db2.gz USYOCFGUNXCCFT-UHFFFAOYSA-N 1 0 394.875 1.992 20 0 GDADRO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1OC ZINC001164927438 721875344 /nfs/dbraw/zinc/87/53/44/721875344.db2.gz VQYQKQCJPQCBDN-KGLIPLIRSA-N 1 0 382.892 1.745 20 0 GDADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)C1=O ZINC001164926194 721875786 /nfs/dbraw/zinc/87/57/86/721875786.db2.gz QSOWNCOHMYQQJM-HUUCEWRRSA-N 1 0 392.935 1.709 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)nc1 ZINC001164930977 721878552 /nfs/dbraw/zinc/87/85/52/721878552.db2.gz DVIHIENPTLDVGT-QZTJIDSGSA-N 1 0 395.573 1.327 20 0 GDADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)COc1ccc(Cl)nn1 ZINC001164936370 721879051 /nfs/dbraw/zinc/87/90/51/721879051.db2.gz ZVHZIBQVNKZMBV-STQMWFEESA-N 1 0 375.851 1.812 20 0 GDADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c(Cl)ncnc21 ZINC001164933276 721885874 /nfs/dbraw/zinc/88/58/74/721885874.db2.gz LIWIBCRGAPGBJB-QWRGUYRKSA-N 1 0 382.299 1.941 20 0 GDADRO Cn1cccc1C(=O)N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2COC[C@@H]21 ZINC001164963163 722037402 /nfs/dbraw/zinc/03/74/02/722037402.db2.gz QBRRMJAMJDWKQA-GGPKGHCWSA-N 1 0 395.507 1.650 20 0 GDADRO C[NH+]1CCN(c2cccc(N3C[C@H]4CCN(C(=O)c5ccco5)[C@H]4C3)n2)CC1 ZINC001164958115 722047609 /nfs/dbraw/zinc/04/76/09/722047609.db2.gz LMTVXHNIKPTNCO-SJORKVTESA-N 1 0 381.480 1.777 20 0 GDADRO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cn1 ZINC001164960479 722052272 /nfs/dbraw/zinc/05/22/72/722052272.db2.gz OZFQUHAPOPBIGO-UHFFFAOYSA-N 1 0 397.479 1.777 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc1 ZINC001164967782 722075172 /nfs/dbraw/zinc/07/51/72/722075172.db2.gz WEYBLEVHQBFSCP-CALCHBBNSA-N 1 0 394.541 1.412 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(C2)CNC(=O)CN3C(C)=O)nc1 ZINC001164969509 722079577 /nfs/dbraw/zinc/07/95/77/722079577.db2.gz LBMFMIBJEMTVFY-GHTZIAJQSA-N 1 0 385.512 1.556 20 0 GDADRO COC(=O)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164980518 722113757 /nfs/dbraw/zinc/11/37/57/722113757.db2.gz RQBUYXZDXPLXIP-AEFFLSMTSA-N 1 0 383.452 1.386 20 0 GDADRO c1cn(-c2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cn1 ZINC001164985018 722131284 /nfs/dbraw/zinc/13/12/84/722131284.db2.gz YUSWXMZMIDBMSE-RTBURBONSA-N 1 0 391.479 1.785 20 0 GDADRO Cc1cc(C(N)=O)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164976345 722154187 /nfs/dbraw/zinc/15/41/87/722154187.db2.gz WSPASKZBLNWYTF-MJGOQNOKSA-N 1 0 381.480 1.611 20 0 GDADRO Cc1cn(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)cn1 ZINC001165001777 722255141 /nfs/dbraw/zinc/25/51/41/722255141.db2.gz FUIVYLZUEJQGQD-UHFFFAOYSA-N 1 0 396.499 1.656 20 0 GDADRO O=C(CC[N@H+]1CCC[C@H]1CCCO)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737843145 945137161 /nfs/dbraw/zinc/13/71/61/945137161.db2.gz HXXNSGMEXIMADR-LBPRGKRZSA-N 1 0 390.513 1.982 20 0 GDADRO O=C([O-])[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000780497045 939129407 /nfs/dbraw/zinc/12/94/07/939129407.db2.gz SAHKZZVMUAHDCI-LJQANCHMSA-N 1 0 397.479 1.719 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000738152159 945251347 /nfs/dbraw/zinc/25/13/47/945251347.db2.gz PQTBPNIOSQJXPH-CABCVRRESA-N 1 0 391.863 1.583 20 0 GDADRO CO[C@@H]1CCC[C@H](CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571263951 945471667 /nfs/dbraw/zinc/47/16/67/945471667.db2.gz COJSBGAOASHJAU-BYNSBNAKSA-N 1 0 385.472 1.338 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CCC1 ZINC001571264569 945488587 /nfs/dbraw/zinc/48/85/87/945488587.db2.gz RJVWTTLEAFSORQ-RHSMWYFYSA-N 1 0 385.472 1.210 20 0 GDADRO Cc1cc(-c2nn[nH]n2)cnc1C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001571264827 945492837 /nfs/dbraw/zinc/49/28/37/945492837.db2.gz YFXNYJFEDSFAIX-UHFFFAOYSA-N 1 0 385.472 1.023 20 0 GDADRO Cc1cc(NC[C@@H]2CCCCN2C(=O)[C@]2(C)CCOC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266003 945528620 /nfs/dbraw/zinc/52/86/20/945528620.db2.gz MOJOZWBIOLIEEH-IFXJQAMLSA-N 1 0 385.472 1.212 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001571266181 945533091 /nfs/dbraw/zinc/53/30/91/945533091.db2.gz NEUHTDRRQUKYIF-JKIFEVAISA-N 1 0 385.472 1.158 20 0 GDADRO C[C@H]1CCc2c(sc(NC(=O)CC[N@@H+]3CC[C@](C)(O)C3)c2-c2nn[nH]n2)C1 ZINC000820728826 945539729 /nfs/dbraw/zinc/53/97/29/945539729.db2.gz YYCVMYFCKMJZRI-VOJFVSQTSA-N 1 0 390.513 1.838 20 0 GDADRO Cc1cc(NC[C@@H]2CCCN2C(=O)CC[C@H]2CCCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266515 945544291 /nfs/dbraw/zinc/54/42/91/945544291.db2.gz SRBYLJWIYWUUIU-LSDHHAIUSA-N 1 0 385.472 1.354 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)C[C@H]1CCCN1C(=O)c1cnon1 ZINC001571267549 945573735 /nfs/dbraw/zinc/57/37/35/945573735.db2.gz YKBTVPOFNXVQRQ-GFCCVEGCSA-N 1 0 386.391 1.125 20 0 GDADRO C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000324814174 971159112 /nfs/dbraw/zinc/15/91/12/971159112.db2.gz QGKWNXMPKYDBSQ-UHFFFAOYSA-N 1 0 375.516 1.093 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@@H]1C[C@]12CCOC2 ZINC001571268599 945600151 /nfs/dbraw/zinc/60/01/51/945600151.db2.gz IFWYRVJJRKARKY-XLPNERPQSA-N 1 0 386.431 1.169 20 0 GDADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571268715 945601488 /nfs/dbraw/zinc/60/14/88/945601488.db2.gz IMFAPXHLKYAWEZ-ANQUJSFKSA-N 1 0 386.431 1.264 20 0 GDADRO Cn1nccc1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271729 945647965 /nfs/dbraw/zinc/64/79/65/945647965.db2.gz IEQOKGAWGCQUPT-LBPRGKRZSA-N 1 0 386.485 1.398 20 0 GDADRO Cc1cc(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2C)n(C)n1 ZINC001571271732 945648656 /nfs/dbraw/zinc/64/86/56/945648656.db2.gz IJMKUQXTTNJWGL-NWDGAFQWSA-N 1 0 386.485 1.363 20 0 GDADRO Cc1cnn(C)c1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271724 945649048 /nfs/dbraw/zinc/64/90/48/945649048.db2.gz IANQCZMEPTVMTM-LBPRGKRZSA-N 1 0 386.485 1.365 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)cs1 ZINC001571271801 945650320 /nfs/dbraw/zinc/65/03/20/945650320.db2.gz JYUUIPZWERDEIQ-MFKMUULPSA-N 1 0 386.485 1.600 20 0 GDADRO Cc1csc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001571271789 945651079 /nfs/dbraw/zinc/65/10/79/945651079.db2.gz JSEUVIPXOCFTGD-VXGBXAGGSA-N 1 0 386.485 1.791 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821189653 945651452 /nfs/dbraw/zinc/65/14/52/945651452.db2.gz RDYGPTIUQBGHHU-QGZVFWFLSA-N 1 0 388.472 1.205 20 0 GDADRO Cc1cnn(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@H]2C)c1 ZINC001571272041 945654170 /nfs/dbraw/zinc/65/41/70/945654170.db2.gz NKMHCTIAFKCMRM-TZMCWYRMSA-N 1 0 386.485 1.212 20 0 GDADRO Cc1ncsc1C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571272115 945656085 /nfs/dbraw/zinc/65/60/85/945656085.db2.gz PQRYTOWJALULSX-LBPRGKRZSA-N 1 0 386.485 1.744 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001571272349 945659730 /nfs/dbraw/zinc/65/97/30/945659730.db2.gz SKTYBYBPWQIVOA-GOEBONIOSA-N 1 0 386.504 1.417 20 0 GDADRO O=C(CC1OCCCO1)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571275890 945718671 /nfs/dbraw/zinc/71/86/71/945718671.db2.gz FADPHJOPTPXMHR-OAHLLOKOSA-N 1 0 386.456 1.100 20 0 GDADRO O=C(NC1CC(C[NH2+]Cc2ccc(F)c(F)c2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571276222 945728165 /nfs/dbraw/zinc/72/81/65/945728165.db2.gz FQAMENCAARNHIJ-UHFFFAOYSA-N 1 0 387.394 1.771 20 0 GDADRO COC(=O)c1ccc(OCC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821669340 945790942 /nfs/dbraw/zinc/79/09/42/945790942.db2.gz HFJRDBIKKKSSPL-KRWDZBQOSA-N 1 0 383.408 1.355 20 0 GDADRO CC1(C)CO[C@@H](C[N@@H+]2CCC[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001571281202 945800611 /nfs/dbraw/zinc/80/06/11/945800611.db2.gz FGFLGRXUCHHLCT-UKRRQHHQSA-N 1 0 387.488 1.452 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1nccs1 ZINC001571282746 945857531 /nfs/dbraw/zinc/85/75/31/945857531.db2.gz PNYSHONJMBBDCZ-LLVKDONJSA-N 1 0 387.444 1.714 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571282748 945859139 /nfs/dbraw/zinc/85/91/39/945859139.db2.gz PPDHAUGEFKWQRH-RSUWNVLCSA-N 1 0 387.463 1.795 20 0 GDADRO CC[C@@H](C(=O)N1CCC(CC)(Nc2cnc(-c3nn[nH]n3)cn2)CC1)[NH+](C)C ZINC001571283379 945884567 /nfs/dbraw/zinc/88/45/67/945884567.db2.gz DOOGMKATSLMUFI-AWEZNQCLSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@H]1CN(C(C)(C)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2N(C)C)C[C@H](C)O1 ZINC001571284870 945904862 /nfs/dbraw/zinc/90/48/62/945904862.db2.gz VKWHCPNSSWSFOI-GJZGRUSLSA-N 1 0 387.532 1.910 20 0 GDADRO C[N@H+](C[C@H](O)C1CCCCC1)[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571284930 945906884 /nfs/dbraw/zinc/90/68/84/945906884.db2.gz WSAOJRAWCZZKFI-RDJZCZTQSA-N 1 0 387.488 1.282 20 0 GDADRO O=C(NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)c1cc(C(F)F)n[nH]1 ZINC001571285815 945927902 /nfs/dbraw/zinc/92/79/02/945927902.db2.gz ORVOWEUDMUZZBQ-UHFFFAOYSA-N 1 0 388.382 1.389 20 0 GDADRO CCO[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287184 945967577 /nfs/dbraw/zinc/96/75/77/945967577.db2.gz AAJJSBDRUDNUOQ-SIUGBPQLSA-N 1 0 388.447 1.415 20 0 GDADRO CC[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)O1 ZINC001571287395 945971102 /nfs/dbraw/zinc/97/11/02/945971102.db2.gz CRHJWBLXNTXMKS-WSMBLCCSSA-N 1 0 388.447 1.700 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1)C1CCOCC1 ZINC001571287816 945977756 /nfs/dbraw/zinc/97/77/56/945977756.db2.gz IPJRXOSOPKXSGO-UHFFFAOYSA-N 1 0 388.447 1.513 20 0 GDADRO O=C([C@H]1CCCOC1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001571287673 945978516 /nfs/dbraw/zinc/97/85/16/945978516.db2.gz HSRFYVXNDDMADG-AWEZNQCLSA-N 1 0 388.447 1.513 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571288045 945982305 /nfs/dbraw/zinc/98/23/05/945982305.db2.gz LSTJMMPXWCVTPO-RHSMWYFYSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001571288495 945988330 /nfs/dbraw/zinc/98/83/30/945988330.db2.gz PPLMRSAWLGOVLM-LCSDZXHASA-N 1 0 388.447 1.558 20 0 GDADRO O=C(c1cnns1)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571288546 945989202 /nfs/dbraw/zinc/98/92/02/945989202.db2.gz QEGUPRXQDLLKOW-SNVBAGLBSA-N 1 0 388.432 1.109 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)[C@H]1CCCO1 ZINC001571289598 946012599 /nfs/dbraw/zinc/01/25/99/946012599.db2.gz IMSWWMODRGSMRT-LDYHSIQDSA-N 1 0 388.497 1.290 20 0 GDADRO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571290663 946051712 /nfs/dbraw/zinc/05/17/12/946051712.db2.gz LCYSOHYWCKRVIS-UYHMYPTGSA-N 1 0 388.497 1.291 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(C)C ZINC001573476890 946125897 /nfs/dbraw/zinc/12/58/97/946125897.db2.gz KTEDUDCNFKXBMM-LRDDRELGSA-N 1 0 387.488 1.012 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)ns1 ZINC001571294535 946136384 /nfs/dbraw/zinc/13/63/84/946136384.db2.gz IMKPGEQIFKWORD-XYPYZODXSA-N 1 0 389.510 1.991 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)CC(C)C ZINC001573478743 946150712 /nfs/dbraw/zinc/15/07/12/946150712.db2.gz YCBXMOLBPICXLM-GUYCJALGSA-N 1 0 387.488 1.012 20 0 GDADRO Cn1cc(C[C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC000822673939 946152406 /nfs/dbraw/zinc/15/24/06/946152406.db2.gz HCYSUIKWRXDMKL-AWEZNQCLSA-N 1 0 380.456 1.493 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1(c2ccccn2)CC1 ZINC001571295405 946162468 /nfs/dbraw/zinc/16/24/68/946162468.db2.gz SBBXJSRPYVNBDU-KRWDZBQOSA-N 1 0 389.463 1.684 20 0 GDADRO O=C(N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1(c2cccnc2)CC1 ZINC001571295466 946164834 /nfs/dbraw/zinc/16/48/34/946164834.db2.gz UEVYNAXDSJIXPF-KRWDZBQOSA-N 1 0 389.463 1.684 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295453 946165308 /nfs/dbraw/zinc/16/53/08/946165308.db2.gz TWRUFSXWYHTPKN-UONOGXRCSA-N 1 0 389.529 1.351 20 0 GDADRO Cc1nscc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C ZINC001571295597 946168667 /nfs/dbraw/zinc/16/86/67/946168667.db2.gz YTOUNEZBMHWRFX-NOZJJQNGSA-N 1 0 389.510 1.943 20 0 GDADRO O=C(c1cncnc1C1CC1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571297952 946201604 /nfs/dbraw/zinc/20/16/04/946201604.db2.gz FIZYGMDKKCGNTA-MRXNPFEDSA-N 1 0 390.451 1.538 20 0 GDADRO O=C(c1cnccn1)N1CC2(C1)CCC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571298063 946206632 /nfs/dbraw/zinc/20/66/32/946206632.db2.gz ITEODUKNEIKWRJ-UHFFFAOYSA-N 1 0 390.451 1.395 20 0 GDADRO CC[C@H](OC)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571298307 946213901 /nfs/dbraw/zinc/21/39/01/946213901.db2.gz NERDDNRSRXVPAO-DYVFJYSZSA-N 1 0 390.463 1.711 20 0 GDADRO O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1n[nH]cc1F ZINC001571298341 946214582 /nfs/dbraw/zinc/21/45/82/946214582.db2.gz FBALXNSXKFWVBK-UWVGGRQHSA-N 1 0 390.448 1.621 20 0 GDADRO CC[C@H](OC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571298459 946215652 /nfs/dbraw/zinc/21/56/52/946215652.db2.gz OHMBLRYGNJNZIU-WBVHZDCISA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571298505 946219508 /nfs/dbraw/zinc/21/95/08/946219508.db2.gz PMNVTDZEAOVKGI-ZJUUUORDSA-N 1 0 390.498 1.278 20 0 GDADRO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822986968 946249195 /nfs/dbraw/zinc/24/91/95/946249195.db2.gz OSAONJCYMWMHGE-GOSISDBHSA-N 1 0 384.484 1.907 20 0 GDADRO O=C(N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571299719 946259776 /nfs/dbraw/zinc/25/97/76/946259776.db2.gz ZNSZGPXIHPEFHF-QCEMKRCNSA-N 1 0 390.451 1.189 20 0 GDADRO Cc1nnsc1C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571299670 946260210 /nfs/dbraw/zinc/26/02/10/946260210.db2.gz YXVUSLHNTGVKQL-UHFFFAOYSA-N 1 0 390.498 1.483 20 0 GDADRO C[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)[C@@H]1CCCO1 ZINC001571299866 946264888 /nfs/dbraw/zinc/26/48/88/946264888.db2.gz PSNVMFIEVSXOEM-WFASDCNBSA-N 1 0 390.513 1.824 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571299952 946265951 /nfs/dbraw/zinc/26/59/51/946265951.db2.gz RVILLVDQROQUKW-OBJOEFQTSA-N 1 0 390.879 1.459 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CC[C@@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571299933 946266544 /nfs/dbraw/zinc/26/65/44/946266544.db2.gz RJMVYXJTJZJILG-LBPRGKRZSA-N 1 0 390.879 1.271 20 0 GDADRO O=C(NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1nc(Cl)cs1 ZINC001571300332 946280498 /nfs/dbraw/zinc/28/04/98/946280498.db2.gz ZVPSCSBUVXYKAX-UHFFFAOYSA-N 1 0 390.860 1.414 20 0 GDADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823257598 946360052 /nfs/dbraw/zinc/36/00/52/946360052.db2.gz PFMYEZJWXMLERT-UHFFFAOYSA-N 1 0 399.499 1.653 20 0 GDADRO O=C(Cc1ccc[nH]1)N[C@@H]1CC12CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2 ZINC001571306669 946407569 /nfs/dbraw/zinc/40/75/69/946407569.db2.gz ZJLFXDZIZHVNEQ-GOSISDBHSA-N 1 0 391.479 1.908 20 0 GDADRO C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001571306746 946409713 /nfs/dbraw/zinc/40/97/13/946409713.db2.gz OQIDHACAFXAQIV-CYBMUJFWSA-N 1 0 391.479 1.934 20 0 GDADRO O=C(Cc1ccccc1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571310434 946471619 /nfs/dbraw/zinc/47/16/19/946471619.db2.gz FVTHKLBDPJCSAT-SFHVURJKSA-N 1 0 392.463 1.426 20 0 GDADRO CCc1ccnc(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571312776 946500733 /nfs/dbraw/zinc/50/07/33/946500733.db2.gz CWRBEWVENVACGL-HNNXBMFYSA-N 1 0 392.467 1.878 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)c1cn2c(n1)CCC2 ZINC001571312804 946503374 /nfs/dbraw/zinc/50/33/74/946503374.db2.gz DELXTHXIAVUMHZ-UKRRQHHQSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@@H]1CN(C(=O)c2cncnc2)CC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571313723 946530335 /nfs/dbraw/zinc/53/03/35/946530335.db2.gz UTHYSAYDGYZSII-PBHICJAKSA-N 1 0 392.467 1.545 20 0 GDADRO CC(=O)N1CCC(C[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000823972781 946530379 /nfs/dbraw/zinc/53/03/79/946530379.db2.gz GWJNOVNKOLHQCA-UHFFFAOYSA-N 1 0 397.527 1.679 20 0 GDADRO Cc1cc(C)nc(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571315444 946553144 /nfs/dbraw/zinc/55/31/44/946553144.db2.gz KXTCMPDKNKVKLP-HNNXBMFYSA-N 1 0 392.467 1.721 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H](CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)ccn1 ZINC001571316148 946566603 /nfs/dbraw/zinc/56/66/03/946566603.db2.gz UXNUHAXKBNKRFS-HNNXBMFYSA-N 1 0 392.467 1.660 20 0 GDADRO Cc1cc(N[C@@H]2CCC[C@@H](NC(=O)Cc3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316292 946571708 /nfs/dbraw/zinc/57/17/08/946571708.db2.gz YNMLPDDFJQDQKO-HZPDHXFCSA-N 1 0 392.467 1.469 20 0 GDADRO CC(C)(C)C(=O)NCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824072730 946577511 /nfs/dbraw/zinc/57/75/11/946577511.db2.gz YVMXNMLRTCSFME-UHFFFAOYSA-N 1 0 385.516 1.583 20 0 GDADRO Cc1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4-c4nn[nH]n4)C[C@@H]3C2)n1C ZINC001571316787 946586853 /nfs/dbraw/zinc/58/68/53/946586853.db2.gz MSARDXIMDAWHPB-IYBDPMFKSA-N 1 0 392.467 1.113 20 0 GDADRO Cn1cnc(C(=O)N2CC3(C2)CC[NH+](Cc2cccc(-c4nn[nH]n4)c2)CC3)c1 ZINC001571317006 946595484 /nfs/dbraw/zinc/59/54/84/946595484.db2.gz RRAWOOXLEXTTOU-UHFFFAOYSA-N 1 0 392.467 1.338 20 0 GDADRO Cc1cnccc1CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571317084 946597716 /nfs/dbraw/zinc/59/77/16/946597716.db2.gz VBLFAPDYOGBZPH-ZBFHGGJFSA-N 1 0 392.467 1.421 20 0 GDADRO Cc1cncn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571317104 946598172 /nfs/dbraw/zinc/59/81/72/946598172.db2.gz VHKFYHYZGJCCLQ-NXHRZFHOSA-N 1 0 392.467 1.293 20 0 GDADRO Cc1ncncc1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571317136 946601162 /nfs/dbraw/zinc/60/11/62/946601162.db2.gz WHAQUGJKESIYJF-CZUORRHYSA-N 1 0 392.467 1.463 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573522215 946623412 /nfs/dbraw/zinc/62/34/12/946623412.db2.gz CILKFNFCPCNZMG-CHWSQXEVSA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573527525 946643010 /nfs/dbraw/zinc/64/30/10/946643010.db2.gz BMLVNZZOQPXRSZ-ZDUSSCGKSA-N 1 0 387.488 1.013 20 0 GDADRO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824556012 946798723 /nfs/dbraw/zinc/79/87/23/946798723.db2.gz ZCUPBOLJIPCZFK-ZDUSSCGKSA-N 1 0 378.502 1.720 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568767 946806864 /nfs/dbraw/zinc/80/68/64/946806864.db2.gz CKJLHQSOAXONSA-SMDDNHRTSA-N 1 0 393.494 1.414 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824612019 946861682 /nfs/dbraw/zinc/86/16/82/946861682.db2.gz IEDLYZPZOAVOHA-MPBGBICISA-N 1 0 391.435 1.772 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000824612535 946863302 /nfs/dbraw/zinc/86/33/02/946863302.db2.gz NIQPYDGMVMHIDN-JTQLQIEISA-N 1 0 376.417 1.504 20 0 GDADRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824899463 946980454 /nfs/dbraw/zinc/98/04/54/946980454.db2.gz KCDRVSJZKLGVSD-CCKFTAQKSA-N 1 0 395.511 1.430 20 0 GDADRO C[C@H](CNc1ncccc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573585393 947256050 /nfs/dbraw/zinc/25/60/50/947256050.db2.gz FMMXCHDSXIFMEJ-CABCVRRESA-N 1 0 386.504 1.785 20 0 GDADRO CN(C)CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000825860005 947349225 /nfs/dbraw/zinc/34/92/25/947349225.db2.gz JZPMWUWENWGCIF-INIZCTEOSA-N 1 0 394.545 1.596 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C1CCC1 ZINC001573592960 947356320 /nfs/dbraw/zinc/35/63/20/947356320.db2.gz OTMFQEYPJNYOIJ-JSGCOSHPSA-N 1 0 392.529 1.616 20 0 GDADRO C[N@H+](C[C@H]1CC=CCC1)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000825908769 947365822 /nfs/dbraw/zinc/36/58/22/947365822.db2.gz LTWHQCDOJBFUIS-HNNXBMFYSA-N 1 0 395.467 1.877 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1nc(C(C)(C)C)cs1 ZINC000825937946 947377496 /nfs/dbraw/zinc/37/74/96/947377496.db2.gz KOIRNLQWCAJWIM-UHFFFAOYSA-N 1 0 375.506 1.991 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573594873 947410801 /nfs/dbraw/zinc/41/08/01/947410801.db2.gz DCWLFSMWMSHPKS-WFASDCNBSA-N 1 0 392.479 1.597 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(F)F ZINC001573597401 947437025 /nfs/dbraw/zinc/43/70/25/947437025.db2.gz OEDRXWHNGXFFSK-DGCLKSJQSA-N 1 0 382.415 1.067 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC001573599597 947458464 /nfs/dbraw/zinc/45/84/64/947458464.db2.gz YOZOBPDVMIVROP-CZUORRHYSA-N 1 0 384.440 1.172 20 0 GDADRO COCCN1CCC[C@H]1C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826159588 947502980 /nfs/dbraw/zinc/50/29/80/947502980.db2.gz KSFJOFHMJDBIOU-FQEVSTJZSA-N 1 0 399.543 1.532 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000826183096 947563300 /nfs/dbraw/zinc/56/33/00/947563300.db2.gz DDRRYALTDASYIS-DLBZAZTESA-N 1 0 383.456 1.697 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573613787 947570626 /nfs/dbraw/zinc/57/06/26/947570626.db2.gz IUYIZYBWWKGVRG-OLMNPRSZSA-N 1 0 392.467 1.500 20 0 GDADRO COc1cccc([C@H](CNC(=O)Cc2noc(C)c2-c2nn[nH]n2)[NH+](C)C)c1 ZINC000826214509 947626274 /nfs/dbraw/zinc/62/62/74/947626274.db2.gz NTWCFPFHDBZJHN-HNNXBMFYSA-N 1 0 385.428 1.133 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC001573354858 947636399 /nfs/dbraw/zinc/63/63/99/947636399.db2.gz IYWYXJIEVPHLQC-AWEZNQCLSA-N 1 0 384.465 1.452 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573619227 947662807 /nfs/dbraw/zinc/66/28/07/947662807.db2.gz UZPVYFLMVHLLHQ-MAUKXSAKSA-N 1 0 379.468 1.962 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573619560 947666710 /nfs/dbraw/zinc/66/67/10/947666710.db2.gz VSFNIFJNMFSELZ-CJNGLKHVSA-N 1 0 383.431 1.759 20 0 GDADRO C/C(=C/C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573362437 947702662 /nfs/dbraw/zinc/70/26/62/947702662.db2.gz KMAGFXRDPZAGFO-QXSWTLKVSA-N 1 0 382.468 1.540 20 0 GDADRO C[C@@H](C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)C1CC1 ZINC001573627154 947718996 /nfs/dbraw/zinc/71/89/96/947718996.db2.gz ZOTAITNLPZITRC-GFCCVEGCSA-N 1 0 390.513 1.417 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259169 947745895 /nfs/dbraw/zinc/74/58/95/947745895.db2.gz JYIOMWAQWFHJQO-AWEZNQCLSA-N 1 0 378.440 1.327 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259683 947750439 /nfs/dbraw/zinc/75/04/39/947750439.db2.gz ZTMUEPHXBCJZJP-JKSUJKDBSA-N 1 0 392.467 1.717 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001573368848 947771024 /nfs/dbraw/zinc/77/10/24/947771024.db2.gz PZSDYBHHZIAQER-BLLLJJGKSA-N 1 0 388.447 1.844 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)(F)F ZINC001573645774 947869372 /nfs/dbraw/zinc/86/93/72/947869372.db2.gz AYKREOCGCQAQHY-CABZTGNLSA-N 1 0 386.353 1.895 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cccc1 ZINC001573646238 947874160 /nfs/dbraw/zinc/87/41/60/947874160.db2.gz IMXMLDCEFKBMQC-HHXXYDBFSA-N 1 0 391.479 1.962 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccn1 ZINC001573650956 947916159 /nfs/dbraw/zinc/91/61/59/947916159.db2.gz GMWCSJXXTXLEON-ZTFGCOKTSA-N 1 0 392.467 1.357 20 0 GDADRO C[C@H](C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(C)(F)F ZINC001573654253 947963445 /nfs/dbraw/zinc/96/34/45/947963445.db2.gz QGCCWAUHBLHJCI-QLJPJBMISA-N 1 0 379.415 1.672 20 0 GDADRO Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2cccs2)c1-c1nn[nH]n1 ZINC000826343542 947993653 /nfs/dbraw/zinc/99/36/53/947993653.db2.gz FRJJZSPWLAZNON-UHFFFAOYSA-N 1 0 375.458 1.358 20 0 GDADRO Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826346309 948037488 /nfs/dbraw/zinc/03/74/88/948037488.db2.gz JGPLRYMOOBHTEK-CJNGLKHVSA-N 1 0 395.467 1.875 20 0 GDADRO Cc1onc(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826346236 948038229 /nfs/dbraw/zinc/03/82/29/948038229.db2.gz HEDABXMPFXQABC-OAHLLOKOSA-N 1 0 381.440 1.486 20 0 GDADRO Cc1onc(CC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1-c1nn[nH]n1 ZINC000826346319 948038663 /nfs/dbraw/zinc/03/86/63/948038663.db2.gz JJXONQUTUHORMS-LBPRGKRZSA-N 1 0 381.440 1.269 20 0 GDADRO C[C@@H](C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)C1CCC1 ZINC001573664658 948058233 /nfs/dbraw/zinc/05/82/33/948058233.db2.gz WFJNUMUXXMLDIC-CYBMUJFWSA-N 1 0 385.472 1.197 20 0 GDADRO Cc1onc(CC(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1-c1nn[nH]n1 ZINC000826347864 948059774 /nfs/dbraw/zinc/05/97/74/948059774.db2.gz JKXGVDPJRULPMD-UHFFFAOYSA-N 1 0 383.456 1.862 20 0 GDADRO Cn1cc([C@@H]2CC[N@H+](Cc3cn(C)nc3-c3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC000826359315 948115903 /nfs/dbraw/zinc/11/59/03/948115903.db2.gz CCLOVDMLGCWICN-MRXNPFEDSA-N 1 0 389.467 1.990 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573673920 948117212 /nfs/dbraw/zinc/11/72/12/948117212.db2.gz MDMMMIXYOVXVEY-LSDHHAIUSA-N 1 0 384.488 1.221 20 0 GDADRO Cn1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360324 948119675 /nfs/dbraw/zinc/11/96/75/948119675.db2.gz GHAJOTUUIIGJSI-GOSISDBHSA-N 1 0 394.483 1.174 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001573675434 948121386 /nfs/dbraw/zinc/12/13/86/948121386.db2.gz PZMMDMOYWIXBOT-GUYCJALGSA-N 1 0 380.456 1.094 20 0 GDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)[C@@H]1CCCO1 ZINC001573676183 948124842 /nfs/dbraw/zinc/12/48/42/948124842.db2.gz SJUKYBUKTHSUAE-DOMZBBRYSA-N 1 0 390.513 1.824 20 0 GDADRO Fc1cccnc1N1CC[C@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826378338 948170442 /nfs/dbraw/zinc/17/04/42/948170442.db2.gz FLHKQSCMXUNZFN-ZDUSSCGKSA-N 1 0 379.403 1.417 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573680374 948178867 /nfs/dbraw/zinc/17/88/67/948178867.db2.gz NMCUTSAQFQSTPA-RISCZKNCSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC001573680885 948189645 /nfs/dbraw/zinc/18/96/45/948189645.db2.gz RGSNSJKWQOPKFU-DGCLKSJQSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCCC1 ZINC001573681895 948216166 /nfs/dbraw/zinc/21/61/66/948216166.db2.gz YOHYPPPGKPIFRX-IUODEOHRSA-N 1 0 390.463 1.399 20 0 GDADRO CC(=O)N1CCC([C@@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CCO2)CC1 ZINC001573434970 948221541 /nfs/dbraw/zinc/22/15/41/948221541.db2.gz UFRQBKYYVSZMEN-HKUYNNGSSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)c1cccnc1 ZINC001573693270 948278453 /nfs/dbraw/zinc/27/84/53/948278453.db2.gz VYFQCCGVHYINAI-LBPRGKRZSA-N 1 0 383.481 1.865 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826435792 948289820 /nfs/dbraw/zinc/28/98/20/948289820.db2.gz XSNDBXDHYNYKRE-KDOFPFPSSA-N 1 0 397.483 1.434 20 0 GDADRO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573694263 948292079 /nfs/dbraw/zinc/29/20/79/948292079.db2.gz BYQIYFXGQWGBJS-BUXKBTBVSA-N 1 0 388.447 1.105 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc(-c2nn[nH]n2)cs1 ZINC000826443282 948305201 /nfs/dbraw/zinc/30/52/01/948305201.db2.gz JDKZZRMZNSOBEV-INIZCTEOSA-N 1 0 398.492 1.815 20 0 GDADRO C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573696483 948327469 /nfs/dbraw/zinc/32/74/69/948327469.db2.gz RCGQYUTZDVCPPT-NXVRBGIVSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001573704261 948367159 /nfs/dbraw/zinc/36/71/59/948367159.db2.gz RCFHCWJHHOYRDS-STQMWFEESA-N 1 0 386.485 1.467 20 0 GDADRO O=C1[C@H]([N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477153 948386573 /nfs/dbraw/zinc/38/65/73/948386573.db2.gz WPYCOTCXBURLSP-JFIYKMOQSA-N 1 0 382.468 1.721 20 0 GDADRO C[C@@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573714105 948468440 /nfs/dbraw/zinc/46/84/40/948468440.db2.gz DRSGQILCQKVZET-CABCVRRESA-N 1 0 392.467 1.793 20 0 GDADRO C[C@@H](CCNC(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573716588 948500492 /nfs/dbraw/zinc/50/04/92/948500492.db2.gz IJUNAHOJOKJQAM-KBPBESRZSA-N 1 0 382.472 1.388 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573731534 948590758 /nfs/dbraw/zinc/59/07/58/948590758.db2.gz GGXXTSUOAPOIIM-NWDGAFQWSA-N 1 0 386.435 1.137 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573732330 948601981 /nfs/dbraw/zinc/60/19/81/948601981.db2.gz NCVKKKWEULMFMA-RYUDHWBXSA-N 1 0 386.435 1.137 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)c1cccnc1 ZINC001573740191 948629211 /nfs/dbraw/zinc/62/92/11/948629211.db2.gz KPCBUBZDVMEUCB-OLZOCXBDSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C)n1cccn1 ZINC001573743133 948667227 /nfs/dbraw/zinc/66/72/27/948667227.db2.gz YEXOATPZUBXAGM-CPUCHLNUSA-N 1 0 380.456 1.403 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@H]1CCCO1 ZINC001573745199 948671202 /nfs/dbraw/zinc/67/12/02/948671202.db2.gz BKDNKBDZIHMELL-ZYIUAKIQSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@H]1CCCO1 ZINC001573745219 948671510 /nfs/dbraw/zinc/67/15/10/948671510.db2.gz BRNUCHHJVADEHL-HVOFVXBASA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@@H]1CCCO1 ZINC001573748892 948698090 /nfs/dbraw/zinc/69/80/90/948698090.db2.gz WWICSVIMENEROP-CVGURMSBSA-N 1 0 388.447 1.558 20 0 GDADRO 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ZINC001574918843 948865350 /nfs/dbraw/zinc/86/53/50/948865350.db2.gz RPRPYMBBNRIWBR-CYBMUJFWSA-N 1 0 386.435 1.277 20 0 GDADRO CC(F)(F)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001575234024 948891141 /nfs/dbraw/zinc/89/11/41/948891141.db2.gz NJRZDBOSGWQMGE-QKDCVEJESA-N 1 0 376.411 1.706 20 0 GDADRO CC(C)(C(=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001573765385 948908325 /nfs/dbraw/zinc/90/83/25/948908325.db2.gz BCFUFJMKAGZCIX-CQSZACIVSA-N 1 0 385.472 1.149 20 0 GDADRO CC(C)(C(=O)N1CCCN(c2ncccc2-c2nn[nH]n2)CC1)[NH+]1CCCC1 ZINC001573765468 948913055 /nfs/dbraw/zinc/91/30/55/948913055.db2.gz IOENKAPWWNPUES-UHFFFAOYSA-N 1 0 384.488 1.175 20 0 GDADRO CC(C)c1ncc(C(=O)N[C@H](C)[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)s1 ZINC001574427825 948913625 /nfs/dbraw/zinc/91/36/25/948913625.db2.gz RDEGUGFMWFYIFB-GHMZBOCLSA-N 1 0 386.485 1.882 20 0 GDADRO CC(C)c1ncc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001574427845 948915734 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380.884 1.420 20 0 GDADRO CC(C)(C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccnc1 ZINC001573774313 949007295 /nfs/dbraw/zinc/00/72/95/949007295.db2.gz MKMCSRLRBLUUPH-UHFFFAOYSA-N 1 0 391.479 1.978 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001575244169 949010162 /nfs/dbraw/zinc/01/01/62/949010162.db2.gz WTWLMLBQIHCTPY-FZKQIMNGSA-N 1 0 375.452 1.871 20 0 GDADRO CC(C)[C@@H]1C[C@H](C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCO1 ZINC001574091384 949010720 /nfs/dbraw/zinc/01/07/20/949010720.db2.gz KUIORKVGLSBPBX-CJNGLKHVSA-N 1 0 385.472 1.196 20 0 GDADRO C[C@H](F)CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@]2(C)C1 ZINC001575245334 949017613 /nfs/dbraw/zinc/01/76/13/949017613.db2.gz AENVKOMAQVFGNK-UYHISHBKSA-N 1 0 375.452 1.727 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573775637 949046327 /nfs/dbraw/zinc/04/63/27/949046327.db2.gz YVZATYTZIKGPPR-ZDUSSCGKSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574693814 949063306 /nfs/dbraw/zinc/06/33/06/949063306.db2.gz JVKHULRKJWKLMH-CQSZACIVSA-N 1 0 386.504 1.785 20 0 GDADRO C[C@@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574694135 949069459 /nfs/dbraw/zinc/06/94/59/949069459.db2.gz LWEIBGKKHYBMLN-XJKSGUPXSA-N 1 0 387.488 1.538 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573779862 949071572 /nfs/dbraw/zinc/07/15/72/949071572.db2.gz OEQPBMVZPFKNIV-AWEZNQCLSA-N 1 0 392.467 1.577 20 0 GDADRO C[C@@H](Oc1cccnc1)C(=O)NCCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575504706 949081763 /nfs/dbraw/zinc/08/17/63/949081763.db2.gz WNKHMHZXSNAICP-CQSZACIVSA-N 1 0 381.440 1.325 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001574694719 949093330 /nfs/dbraw/zinc/09/33/30/949093330.db2.gz VFAWBYXFIWJAPP-SMDDNHRTSA-N 1 0 378.456 1.246 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)s1)[NH+]1CCCC1 ZINC001573780402 949096789 /nfs/dbraw/zinc/09/67/89/949096789.db2.gz YGUYVZMNJAOGBW-ZDUSSCGKSA-N 1 0 389.529 1.493 20 0 GDADRO C[C@@H](Oc1cccnc1)C(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575504951 949097517 /nfs/dbraw/zinc/09/75/17/949097517.db2.gz ZSHMHZCPAUNVCF-QWHCGFSZSA-N 1 0 382.428 1.065 20 0 GDADRO C[C@@H](CN(C)C(=O)C(C)(C)c1cnc[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574695055 949101851 /nfs/dbraw/zinc/10/18/51/949101851.db2.gz YYZMOVTZDSCTCJ-ZDUSSCGKSA-N 1 0 382.472 1.504 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574446390 949130322 /nfs/dbraw/zinc/13/03/22/949130322.db2.gz ODYQZJRNIHKBMG-CQSZACIVSA-N 1 0 384.440 1.464 20 0 GDADRO C[C@H](NC(=O)C1(F)CCOCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575252674 949166515 /nfs/dbraw/zinc/16/65/15/949166515.db2.gz GUFRURWOGHUTPM-ZDUSSCGKSA-N 1 0 388.447 1.322 20 0 GDADRO C[C@@H](NC(=O)C(F)F)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575253402 949186480 /nfs/dbraw/zinc/18/64/80/949186480.db2.gz SYKBSQNHPKBENP-GHMZBOCLSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)c1ocnc1C[NH2+]C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001574448896 949197245 /nfs/dbraw/zinc/19/72/45/949197245.db2.gz ONHWHXUBZVAJIA-UHFFFAOYSA-N 1 0 384.444 1.701 20 0 GDADRO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575515881 949199802 /nfs/dbraw/zinc/19/98/02/949199802.db2.gz MEJGWXLMPSETPH-STQMWFEESA-N 1 0 381.444 1.188 20 0 GDADRO C[C@H](c1cnccn1)[NH+]1CCC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575516912 949212663 /nfs/dbraw/zinc/21/26/63/949212663.db2.gz RPEABRAIQPSDOD-GFCCVEGCSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575516984 949221347 /nfs/dbraw/zinc/22/13/47/949221347.db2.gz SIOCVZLUDJHGQS-CHWSQXEVSA-N 1 0 381.444 1.330 20 0 GDADRO C[C@@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575255316 949227740 /nfs/dbraw/zinc/22/77/40/949227740.db2.gz ZEIJDOZPUXBWJV-KGLIPLIRSA-N 1 0 386.504 1.831 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC001575854438 949235808 /nfs/dbraw/zinc/23/58/08/949235808.db2.gz WXZFTBNVXSBYFC-CQSZACIVSA-N 1 0 385.472 1.293 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574938120 949237115 /nfs/dbraw/zinc/23/71/15/949237115.db2.gz SKSWYAZQAYIXDA-SNVBAGLBSA-N 1 0 375.433 1.299 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574940416 949260461 /nfs/dbraw/zinc/26/04/61/949260461.db2.gz FKPPNJJXULQKHE-AWEZNQCLSA-N 1 0 391.479 1.579 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574702767 949293440 /nfs/dbraw/zinc/29/34/40/949293440.db2.gz LOIWDKYMOGKTSU-PXAZEXFGSA-N 1 0 378.502 1.681 20 0 GDADRO CC(C)n1ccc(C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001574457783 949333257 /nfs/dbraw/zinc/33/32/57/949333257.db2.gz OEEXGOYNHNHGMY-CYBMUJFWSA-N 1 0 381.444 1.035 20 0 GDADRO C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574703496 949333493 /nfs/dbraw/zinc/33/34/93/949333493.db2.gz VUWDBVPOEKCQNY-GFCCVEGCSA-N 1 0 375.452 1.749 20 0 GDADRO CC(C)n1ccc(C[NH2+]CC2CC(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001574460160 949370309 /nfs/dbraw/zinc/37/03/09/949370309.db2.gz RAZCOLQYXVPXEA-UHFFFAOYSA-N 1 0 383.460 1.270 20 0 GDADRO CC(C)n1ccc(CC(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001574943059 949373298 /nfs/dbraw/zinc/37/32/98/949373298.db2.gz VONIAQQLHHGEKU-LBPRGKRZSA-N 1 0 388.501 1.543 20 0 GDADRO C[C@H](NC(=O)C[C@@](C)(O)C1CC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575262525 949376273 /nfs/dbraw/zinc/37/62/73/949376273.db2.gz BFZSJJSMVXWBPX-RNODOKPDSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1ncccc1-c1nn[nH]n1 ZINC001574704524 949391475 /nfs/dbraw/zinc/39/14/75/949391475.db2.gz ODWLMTSIZVULJV-CQSZACIVSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 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FMFLCRHKNWCFRW-HNAYVOBHSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](NC(=O)C[C@@H]1CCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268952 949532800 /nfs/dbraw/zinc/53/28/00/949532800.db2.gz PZHUBZHDRAMKDI-RYUDHWBXSA-N 1 0 376.486 1.291 20 0 GDADRO C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574950443 949539168 /nfs/dbraw/zinc/53/91/68/949539168.db2.gz ORNYFARRRUPSAW-UONOGXRCSA-N 1 0 381.440 1.206 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575872180 949539762 /nfs/dbraw/zinc/53/97/62/949539762.db2.gz HDCVZYVPPHVLQD-ZFWWWQNUSA-N 1 0 384.488 1.220 20 0 GDADRO C[C@H](NC(=O)C[C@@H]1CCOC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575269162 949542002 /nfs/dbraw/zinc/54/20/02/949542002.db2.gz RTZLQTDLUDAUCL-JSGCOSHPSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576164283 949555642 /nfs/dbraw/zinc/55/56/42/949555642.db2.gz GOQHPTVSYYAUGC-WVZRYYJFSA-N 1 0 385.472 1.338 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CCOCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574711828 949557122 /nfs/dbraw/zinc/55/71/22/949557122.db2.gz MSNCRZFQKBHLCT-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)CC(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001574123459 949559071 /nfs/dbraw/zinc/55/90/71/949559071.db2.gz ZUPAGXJFKKPKDY-UHFFFAOYSA-N 1 0 391.545 1.645 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(F)F)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576164903 949559127 /nfs/dbraw/zinc/55/91/27/949559127.db2.gz IFXGLFMEVBQAOK-YGRLFVJLSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575873261 949570163 /nfs/dbraw/zinc/57/01/63/949570163.db2.gz AJFKCHVDXSMAQG-XJKSGUPXSA-N 1 0 384.488 1.220 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnon1 ZINC001573810603 949571669 /nfs/dbraw/zinc/57/16/69/949571669.db2.gz ASGIPXZWARWGAV-CQSZACIVSA-N 1 0 388.407 1.323 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573810788 949576872 /nfs/dbraw/zinc/57/68/72/949576872.db2.gz CUYZYSYXYWXAAA-TWMKSMIVSA-N 1 0 384.484 1.380 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573810780 949577599 /nfs/dbraw/zinc/57/75/99/949577599.db2.gz CLQLNJXJOANZBO-UKRRQHHQSA-N 1 0 375.477 1.498 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCCOC1 ZINC001575544082 949577873 /nfs/dbraw/zinc/57/78/73/949577873.db2.gz ANPJBNRIAARLDM-OXJNMPFZSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1ccon1 ZINC001573811172 949591511 /nfs/dbraw/zinc/59/15/11/949591511.db2.gz IJWRYBHOSKYKKG-MRXNPFEDSA-N 1 0 383.456 1.718 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCOC1 ZINC001573811311 949594356 /nfs/dbraw/zinc/59/43/56/949594356.db2.gz JVUPVLGXGNRBSY-WBMJQRKESA-N 1 0 390.463 1.663 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cn[nH]n1 ZINC001573811522 949598715 /nfs/dbraw/zinc/59/87/15/949598715.db2.gz LBTMDBCEIHDOTE-AWEZNQCLSA-N 1 0 387.423 1.058 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576167568 949612702 /nfs/dbraw/zinc/61/27/02/949612702.db2.gz QRHIOMYPTGESED-PBHICJAKSA-N 1 0 389.504 1.794 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cnsn1 ZINC001573812806 949623660 /nfs/dbraw/zinc/62/36/60/949623660.db2.gz UMDNAVFQPMPYRP-CQSZACIVSA-N 1 0 386.485 1.653 20 0 GDADRO C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576168924 949654201 /nfs/dbraw/zinc/65/42/01/949654201.db2.gz WTDCELJUYSQUKK-BBRMVZONSA-N 1 0 385.472 1.028 20 0 GDADRO C[C@H](NC(=O)CCc1cncnc1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575275086 949696713 /nfs/dbraw/zinc/69/67/13/949696713.db2.gz BZPOXHBHUOXOSN-AWEZNQCLSA-N 1 0 392.467 1.226 20 0 GDADRO 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C[C@]1(C(=O)NC2CC3(C2)CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C3)C=CCC1 ZINC001575560196 949780307 /nfs/dbraw/zinc/78/03/07/949780307.db2.gz MEDRACKPDXUQIX-MOZZUYQBSA-N 1 0 379.468 1.879 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nn[nH]n2)nn1 ZINC001576172074 949791490 /nfs/dbraw/zinc/79/14/90/949791490.db2.gz UOKLIXOPBBYEMI-HIFRSBDPSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1cncc(-c2nn[nH]n2)n1 ZINC001576172066 949791559 /nfs/dbraw/zinc/79/15/59/949791559.db2.gz UMZKSILVGFZCRF-HIFRSBDPSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@@H](CN(C)C(=O)CCCc1ccccn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574721175 949811888 /nfs/dbraw/zinc/81/18/88/949811888.db2.gz JZKHVPTZJXYIDA-AWEZNQCLSA-N 1 0 380.456 1.360 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1ccnc1 ZINC001574483524 949824713 /nfs/dbraw/zinc/82/47/13/949824713.db2.gz BHLQCWNYQSDRFH-YOEHRIQHSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](CN(C)C(=O)CCOc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574722490 949836802 /nfs/dbraw/zinc/83/68/02/949836802.db2.gz SSDMOMIMFVJJJY-CQSZACIVSA-N 1 0 381.440 1.412 20 0 GDADRO C[C@H](CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001574483762 949844774 /nfs/dbraw/zinc/84/47/74/949844774.db2.gz LEHWBDNZHNVOPN-TZMCWYRMSA-N 1 0 390.513 1.681 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574141169 949845893 /nfs/dbraw/zinc/84/58/93/949845893.db2.gz ROERPRAWUUIAQW-FZKQIMNGSA-N 1 0 375.477 1.044 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574484001 949851463 /nfs/dbraw/zinc/85/14/63/949851463.db2.gz BWSARRPFISOZGG-GHMZBOCLSA-N 1 0 383.378 1.675 20 0 GDADRO C[C@H](CN(C)C(=O)CCn1cccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574724577 949871666 /nfs/dbraw/zinc/87/16/66/949871666.db2.gz HQLXNNUBBQSPOE-CQSZACIVSA-N 1 0 385.447 1.834 20 0 GDADRO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1 ZINC001574142692 949878135 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C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574998865 950563661 /nfs/dbraw/zinc/56/36/61/950563661.db2.gz BQKFWTFZWBXABK-LBPRGKRZSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cnc(Cl)s1 ZINC001574754810 950587052 /nfs/dbraw/zinc/58/70/52/950587052.db2.gz QNGZEZDXBIWVAP-QMMMGPOBSA-N 1 0 380.865 1.555 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)on1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575000189 950600352 /nfs/dbraw/zinc/60/03/52/950600352.db2.gz PPCXYRZUUMTEGV-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001576208017 950604402 /nfs/dbraw/zinc/60/44/02/950604402.db2.gz LCBFOCIATYNLRD-GOEBONIOSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccn(C(F)F)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574758326 950608661 /nfs/dbraw/zinc/60/86/61/950608661.db2.gz AZGPIRVAKOGGBQ-LLVKDONJSA-N 1 0 390.398 1.709 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573871328 950613339 /nfs/dbraw/zinc/61/33/39/950613339.db2.gz NZJRZVZRUSMJJD-GFCCVEGCSA-N 1 0 378.502 1.681 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576208663 950615920 /nfs/dbraw/zinc/61/59/20/950615920.db2.gz RVUAENIZMUWVTL-OAHLLOKOSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H]1[C@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575919603 950616198 /nfs/dbraw/zinc/61/61/98/950616198.db2.gz IEMAIFMRVFPPDI-TZMCWYRMSA-N 1 0 387.463 1.749 20 0 GDADRO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C)n1cccn1 ZINC001574513761 950619584 /nfs/dbraw/zinc/61/95/84/950619584.db2.gz YMOHORPHUFNPJB-RKVPGOIHSA-N 1 0 394.483 1.794 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001576208992 950620758 /nfs/dbraw/zinc/62/07/58/950620758.db2.gz XTHJDPOZFFZXHS-NUEKZKHPSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cccc2ncn(C)c21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574758972 950621849 /nfs/dbraw/zinc/62/18/49/950621849.db2.gz IKJVLSCYAZZESL-LBPRGKRZSA-N 1 0 391.439 1.143 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCO1 ZINC001574515679 950629684 /nfs/dbraw/zinc/62/96/84/950629684.db2.gz DKCJAMQEMCHFMP-VIBAHUMZSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[C@@H]1CCCO1 ZINC001574516188 950631933 /nfs/dbraw/zinc/63/19/33/950631933.db2.gz GKDLKCLVXJSKCE-HRIHXPSSSA-N 1 0 383.456 1.018 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574759275 950634104 /nfs/dbraw/zinc/63/41/04/950634104.db2.gz ASIBVLJHERQNAH-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924330 950671766 /nfs/dbraw/zinc/67/17/66/950671766.db2.gz FFEQIGAUXAESRQ-BONVTDFDSA-N 1 0 385.378 1.677 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575003121 950673115 /nfs/dbraw/zinc/67/31/15/950673115.db2.gz YCCQHKVFCNHZJE-NSHDSACASA-N 1 0 383.431 1.731 20 0 GDADRO C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575005413 950682503 /nfs/dbraw/zinc/68/25/03/950682503.db2.gz DLMSUAKCWRNNHM-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN(C)c1ccccc1 ZINC001575925577 950688395 /nfs/dbraw/zinc/68/83/95/950688395.db2.gz HPYDRKSEJJXVKW-RHSMWYFYSA-N 1 0 392.467 1.221 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575926170 950702674 /nfs/dbraw/zinc/70/26/74/950702674.db2.gz JCDWYJVBOWASJW-SCZZXKLOSA-N 1 0 389.370 1.059 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccncc1Cl ZINC001575926309 950706214 /nfs/dbraw/zinc/70/62/14/950706214.db2.gz JDMRQGXDRNJHCG-QMTHXVAHSA-N 1 0 384.831 1.447 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnn2c1CCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574763414 950713402 /nfs/dbraw/zinc/71/34/02/950713402.db2.gz ALGOZWLDRKRVFX-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H]1[C@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575926490 950714618 /nfs/dbraw/zinc/71/46/18/950714618.db2.gz XGIFYHGILVWSLQ-GXTWGEPZSA-N 1 0 385.447 1.503 20 0 GDADRO C[C@H]1[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001575926982 950727609 /nfs/dbraw/zinc/72/76/09/950727609.db2.gz ZJIUFAXLQNOAMJ-WFASDCNBSA-N 1 0 387.463 1.891 20 0 GDADRO CC(C)CCC(=O)NCC[NH+]1CCC(Nc2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001574180660 950731361 /nfs/dbraw/zinc/73/13/61/950731361.db2.gz WPRDGUINXAHPHQ-UHFFFAOYSA-N 1 0 387.492 1.085 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575927035 950732886 /nfs/dbraw/zinc/73/28/86/950732886.db2.gz NFCMTVPJJSWCFA-PSASIEDQSA-N 1 0 390.860 1.509 20 0 GDADRO CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)[nH]n1 ZINC001573880088 950741101 /nfs/dbraw/zinc/74/11/01/950741101.db2.gz RXFHMRIRZGUDTB-NSHDSACASA-N 1 0 381.444 1.031 20 0 GDADRO CC(C)CCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574181724 950747561 /nfs/dbraw/zinc/74/75/61/950747561.db2.gz OUFCLGYVCDLMDR-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)CCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574181761 950750139 /nfs/dbraw/zinc/75/01/39/950750139.db2.gz PRWASQDFUSZLNG-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C1=COCCO1 ZINC001574520859 950756879 /nfs/dbraw/zinc/75/68/79/950756879.db2.gz ANJOWZBOECJNKL-VXGBXAGGSA-N 1 0 390.419 1.267 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCn1cccn1 ZINC001574521287 950776323 /nfs/dbraw/zinc/77/63/23/950776323.db2.gz DVMVOJUUERHQJP-LSDHHAIUSA-N 1 0 382.472 1.526 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCc1ccon1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574522149 950789922 /nfs/dbraw/zinc/78/99/22/950789922.db2.gz ITFWHGPBHPLNBB-KGLIPLIRSA-N 1 0 383.456 1.860 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575632244 950791031 /nfs/dbraw/zinc/79/10/31/950791031.db2.gz DPUKZWCTZGNVEW-AWEZNQCLSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576218574 950794514 /nfs/dbraw/zinc/79/45/14/950794514.db2.gz MMYBBHZNAVNGAI-ZYHUDNBSSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cn1cccn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574522209 950794642 /nfs/dbraw/zinc/79/46/42/950794642.db2.gz JLNXAISSYWDXRD-OLZOCXBDSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1=COCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574522571 950798293 /nfs/dbraw/zinc/79/82/93/950798293.db2.gz KYBUKOXXQXZITJ-NEPJUHHUSA-N 1 0 376.486 1.995 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC001575010366 950819304 /nfs/dbraw/zinc/81/93/04/950819304.db2.gz FAXZONIVYNOMSQ-CYBMUJFWSA-N 1 0 382.472 1.511 20 0 GDADRO CC(C)(C)c1n[nH]cc1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573885412 950821389 /nfs/dbraw/zinc/82/13/89/950821389.db2.gz VVUFDBPWLUVDIN-UHFFFAOYSA-N 1 0 381.444 1.079 20 0 GDADRO C[C@H](CN(C)C(=O)c1n[nH]cc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574766817 950821617 /nfs/dbraw/zinc/82/16/17/950821617.db2.gz MSNHWWIXWZQVEV-SECBINFHSA-N 1 0 376.371 1.118 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574766815 950822933 /nfs/dbraw/zinc/82/29/33/950822933.db2.gz MRUDCRCHERWXBY-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576220442 950829262 /nfs/dbraw/zinc/82/92/62/950829262.db2.gz QZWLLWDBOXETMZ-YGRLFVJLSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1ncc[nH]1 ZINC001574523867 950833517 /nfs/dbraw/zinc/83/35/17/950833517.db2.gz RMOLWQDCHNPASM-VXGBXAGGSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](CN(C)C(=O)c1csnn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574766907 950836277 /nfs/dbraw/zinc/83/62/77/950836277.db2.gz OHSBIIZGTHJKNJ-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575933406 950837672 /nfs/dbraw/zinc/83/76/72/950837672.db2.gz ORHNTJBRQPIGJW-XHDPSFHLSA-N 1 0 388.451 1.144 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CC(C)(C)O ZINC001574523994 950845737 /nfs/dbraw/zinc/84/57/37/950845737.db2.gz SUWMWKDKCXORMM-RYUDHWBXSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCc1cn[nH]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574524287 950850996 /nfs/dbraw/zinc/85/09/96/950850996.db2.gz VFHQCAOOUPYLNI-KGLIPLIRSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576221638 950856111 /nfs/dbraw/zinc/85/61/11/950856111.db2.gz VUJZJPRTOVOMQA-JQWIXIFHSA-N 1 0 379.415 1.624 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cncn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574524509 950861814 /nfs/dbraw/zinc/86/18/14/950861814.db2.gz XOXOEPPATVUMKW-KGLIPLIRSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C1(F)CCOCC1 ZINC001574524706 950866188 /nfs/dbraw/zinc/86/61/88/950866188.db2.gz YRBJEGJGJSMJOF-UONOGXRCSA-N 1 0 390.463 1.758 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CC(C)(C)O ZINC001574524731 950874190 /nfs/dbraw/zinc/87/41/90/950874190.db2.gz YWCHGUXRUXCQNJ-VXGBXAGGSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574767939 950875404 /nfs/dbraw/zinc/87/54/04/950875404.db2.gz VLJONRQIFSCPSW-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1csnn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574527213 950882285 /nfs/dbraw/zinc/88/22/85/950882285.db2.gz AQYYENJTNNYXJJ-ZJUUUORDSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cncn1C ZINC001574527517 950889810 /nfs/dbraw/zinc/88/98/10/950889810.db2.gz CVDGXQVVMZHIAE-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO CC1(C)C[C@H](NC(=O)c2cn[nH]c2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575640479 950894050 /nfs/dbraw/zinc/89/40/50/950894050.db2.gz HTQIOAVTWGKNDV-CYBMUJFWSA-N 1 0 381.444 1.410 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cn(C)cn1 ZINC001574527651 950900298 /nfs/dbraw/zinc/90/02/98/950900298.db2.gz FKVKPNIRIDAWRT-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccnnc1 ZINC001574527738 950904233 /nfs/dbraw/zinc/90/42/33/950904233.db2.gz GPYXKESDLADMFO-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccnn1C ZINC001574527767 950904934 /nfs/dbraw/zinc/90/49/34/950904934.db2.gz GWRDSSGFCRZSNT-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[N@H+](C)CCOc1cccc(F)c1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771373 950913864 /nfs/dbraw/zinc/91/38/64/950913864.db2.gz CNOBSLPIJCFDGG-GFCCVEGCSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cnns1 ZINC001574528423 950932826 /nfs/dbraw/zinc/93/28/26/950932826.db2.gz MNQIOEOVGBRMHQ-UWVGGRQHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)CO1 ZINC001575936979 950934693 /nfs/dbraw/zinc/93/46/93/950934693.db2.gz BOIPGRSVINQACB-OCCSQVGLSA-N 1 0 376.436 1.321 20 0 GDADRO CC(C)CCC[NH+]1CCN(CCN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001574194819 950957904 /nfs/dbraw/zinc/95/79/04/950957904.db2.gz BIVSCKDGGUFZQB-UHFFFAOYSA-N 1 0 388.520 1.321 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOCC1 ZINC001574772133 950959301 /nfs/dbraw/zinc/95/93/01/950959301.db2.gz PTKWROICYVAHTI-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001574772340 950967982 /nfs/dbraw/zinc/96/79/82/950967982.db2.gz RRHYQWHXTSQEIC-CYBMUJFWSA-N 1 0 389.479 1.427 20 0 GDADRO C[C@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575017139 950976776 /nfs/dbraw/zinc/97/67/76/950976776.db2.gz APTULHHCTXGAQC-JTQLQIEISA-N 1 0 388.382 1.494 20 0 GDADRO C[C@H](C[N@H+](C)CCOc1ccccc1F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574772728 950977164 /nfs/dbraw/zinc/97/71/64/950977164.db2.gz UOOPYJOFLZTXCE-GFCCVEGCSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574530535 950984263 /nfs/dbraw/zinc/98/42/63/950984263.db2.gz VLZFSEMEOKNWBB-QWHCGFSZSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccncc1Cl)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574530708 950990664 /nfs/dbraw/zinc/99/06/64/950990664.db2.gz VYKQHSBGHRHXNS-QWRGUYRKSA-N 1 0 388.863 1.930 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575644867 950999296 /nfs/dbraw/zinc/99/92/96/950999296.db2.gz YLIHWFUOFFNONT-MRXNPFEDSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ncccn1 ZINC001574530879 951008277 /nfs/dbraw/zinc/00/82/77/951008277.db2.gz YEUBZJQYBROHNN-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575024687 951113313 /nfs/dbraw/zinc/11/33/13/951113313.db2.gz KUPLTQSIPXDYDV-LLVKDONJSA-N 1 0 384.419 1.119 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)COC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575025043 951122404 /nfs/dbraw/zinc/12/24/04/951122404.db2.gz SMPMWYVMCWZEPM-CYBMUJFWSA-N 1 0 378.436 1.805 20 0 GDADRO C[C@H](CNC(=O)c1ccccc1O)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575026997 951149639 /nfs/dbraw/zinc/14/96/39/951149639.db2.gz BXVUHGOKCPJTLM-GFCCVEGCSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@H](CNC(=O)c1ccnn1C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575033832 951229539 /nfs/dbraw/zinc/22/95/39/951229539.db2.gz CDUOFGROIGSTJC-CYBMUJFWSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@@H](CNC(=O)c1ccn(C(F)F)n1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575035763 951284178 /nfs/dbraw/zinc/28/41/78/951284178.db2.gz KYKDYUJKXJYGLX-NSHDSACASA-N 1 0 390.398 1.709 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(C2CC2)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575035826 951284845 /nfs/dbraw/zinc/28/48/45/951284845.db2.gz MJBSRYZPMFBOTQ-GFCCVEGCSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575042974 951377924 /nfs/dbraw/zinc/37/79/24/951377924.db2.gz DZUHJNMODXPMLA-ZDUSSCGKSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(Cl)n1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575043276 951385116 /nfs/dbraw/zinc/38/51/16/951385116.db2.gz HOJSKBLHDJFXMT-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575043786 951403045 /nfs/dbraw/zinc/40/30/45/951403045.db2.gz VGZWNJCIQHEWSB-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575045559 951427523 /nfs/dbraw/zinc/42/75/23/951427523.db2.gz DDERSPYNNISUHV-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCC2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575045615 951429600 /nfs/dbraw/zinc/42/96/00/951429600.db2.gz FKCGPBDHXLNYAY-LLVKDONJSA-N 1 0 384.419 1.057 20 0 GDADRO C[C@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575046713 951445242 /nfs/dbraw/zinc/44/52/42/951445242.db2.gz RIJLEIWNSANNJS-SECBINFHSA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575054105 951486311 /nfs/dbraw/zinc/48/63/11/951486311.db2.gz VQQRDKBNSOATFO-ZDUSSCGKSA-N 1 0 382.472 1.726 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)cn1 ZINC001575054089 951486506 /nfs/dbraw/zinc/48/65/06/951486506.db2.gz VNKOTDHKSDTPET-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C(F)F)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575054694 951495426 /nfs/dbraw/zinc/49/54/26/951495426.db2.gz ZYUCNZLBIUJUAB-NSHDSACASA-N 1 0 390.398 1.709 20 0 GDADRO C[C@@H](CNC(=O)c1cnoc1C1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575055199 951499279 /nfs/dbraw/zinc/49/92/79/951499279.db2.gz OAEXPXIEKAZOHU-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]cc1F)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575061210 951554742 /nfs/dbraw/zinc/55/47/42/951554742.db2.gz LNQWJARLIBPYFO-SECBINFHSA-N 1 0 376.371 1.118 20 0 GDADRO C[C@H](CNC(=O)c1csnn1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575062128 951566985 /nfs/dbraw/zinc/56/69/85/951566985.db2.gz UJNISWRXXVLUOP-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575062089 951567089 /nfs/dbraw/zinc/56/70/89/951567089.db2.gz SUOSDNGHYSCUIW-SNVBAGLBSA-N 1 0 386.485 1.668 20 0 GDADRO C[C@@H](CNC(=O)c1noc2c1CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067269 951606545 /nfs/dbraw/zinc/60/65/45/951606545.db2.gz PVUPKVMEBUFMGN-LBPRGKRZSA-N 1 0 381.440 1.642 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1O)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575067867 951625694 /nfs/dbraw/zinc/62/56/94/951625694.db2.gz PZFUSUNXXPVLGT-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)c1ncc2n1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575067976 951627504 /nfs/dbraw/zinc/62/75/04/951627504.db2.gz UDSJJXQYXJPSGL-LLVKDONJSA-N 1 0 386.485 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575069638 951645633 /nfs/dbraw/zinc/64/56/33/951645633.db2.gz LFGBXTXMAIOHHC-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1snnc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575069841 951647475 /nfs/dbraw/zinc/64/74/75/951647475.db2.gz LXAANFPHMDRNRH-MRVPVSSYSA-N 1 0 390.498 1.565 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCC1(F)F ZINC001575077247 951664189 /nfs/dbraw/zinc/66/41/89/951664189.db2.gz BCPWSUCQMBXPBA-GXFFZTMASA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccc(=O)[nH]c1 ZINC001575077498 951669695 /nfs/dbraw/zinc/66/96/95/951669695.db2.gz FQEAVGMIHNDKII-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)c1cn[nH]c1)C1CC1 ZINC001575078255 951678829 /nfs/dbraw/zinc/67/88/29/951678829.db2.gz KNHGAXZFEOEBBL-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001575078277 951679594 /nfs/dbraw/zinc/67/95/94/951679594.db2.gz LBWPSWYVEAGSMI-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@](C[NH2+]CCC[C@H]1CCOC1)(NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001575078589 951682724 /nfs/dbraw/zinc/68/27/24/951682724.db2.gz KXACPYLOFBMSRF-DJJJIMSYSA-N 1 0 387.488 1.500 20 0 GDADRO C[C@@H](CNC(=O)c1cc(F)c[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078943 951685711 /nfs/dbraw/zinc/68/57/11/951685711.db2.gz ODRSFTXBYFSLJZ-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575079311 951690765 /nfs/dbraw/zinc/69/07/65/951690765.db2.gz CSGGQUWZWOBOBH-CWTRNNRKSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCOCC1 ZINC001575079735 951695886 /nfs/dbraw/zinc/69/58/86/951695886.db2.gz GDOCBEMOUREWJD-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575080247 951706529 /nfs/dbraw/zinc/70/65/29/951706529.db2.gz QNKLBCDVOFQVFM-DJJJIMSYSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C1(C(F)F)CC1 ZINC001575080379 951708796 /nfs/dbraw/zinc/70/87/96/951708796.db2.gz KLQBKYCAKFQSKB-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)n1cccn1 ZINC001575081141 951720034 /nfs/dbraw/zinc/72/00/34/951720034.db2.gz OPFFMBQZKZFBDF-OLZOCXBDSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](CNC(=O)COC(C)(C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081161 951720911 /nfs/dbraw/zinc/72/09/11/951720911.db2.gz OYZVKZODADTIJF-LBPRGKRZSA-N 1 0 378.452 1.663 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)n1cccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081233 951721725 /nfs/dbraw/zinc/72/17/25/951721725.db2.gz QGSRFGLJHNRHBE-STQMWFEESA-N 1 0 386.435 1.305 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001575081824 951727267 /nfs/dbraw/zinc/72/72/67/951727267.db2.gz SLDBLNUQIMJACK-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC1(O)CCC1 ZINC001575082908 951738471 /nfs/dbraw/zinc/73/84/71/951738471.db2.gz ZKCHLMPQIPKSSZ-GFCCVEGCSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088568 951740781 /nfs/dbraw/zinc/74/07/81/951740781.db2.gz BNERBHFTNOYMAK-CQSZACIVSA-N 1 0 380.456 1.131 20 0 GDADRO C[C@H](CNC(=O)CCn1ccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088694 951741157 /nfs/dbraw/zinc/74/11/57/951741157.db2.gz AVEPEDMNDAHDRR-ZDUSSCGKSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088718 951742644 /nfs/dbraw/zinc/74/26/44/951742644.db2.gz BPLSQDMUITXSKG-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cnsn1 ZINC001575089029 951745938 /nfs/dbraw/zinc/74/59/38/951745938.db2.gz CPCCJHBLKGIXEE-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ccns1 ZINC001575089279 951748046 /nfs/dbraw/zinc/74/80/46/951748046.db2.gz FBBQURWCXVPYSZ-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CCC1(F)F ZINC001575089353 951748609 /nfs/dbraw/zinc/74/86/09/951748609.db2.gz GPQSDHKAEGVKJA-ZWNOBZJWSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575089728 951752497 /nfs/dbraw/zinc/75/24/97/951752497.db2.gz GVXHKAVJPGWHIX-SWLSCSKDSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090347 951760198 /nfs/dbraw/zinc/76/01/98/951760198.db2.gz KRPSBAVXOGBEIV-SWLSCSKDSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090932 951765121 /nfs/dbraw/zinc/76/51/21/951765121.db2.gz OGFDJIBZLKBZKP-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)c1cccnn1)C1CC1 ZINC001575090936 951765621 /nfs/dbraw/zinc/76/56/21/951765621.db2.gz OLRDPRWTUXVAGG-QGZVFWFLSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ncccc1O ZINC001575091426 951774504 /nfs/dbraw/zinc/77/45/04/951774504.db2.gz QVKYUCSMCNMNEJ-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cncs1 ZINC001575091717 951781967 /nfs/dbraw/zinc/78/19/67/951781967.db2.gz WTRRZYISNZQPFR-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO CC(C)SCC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091912 951784982 /nfs/dbraw/zinc/78/49/82/951784982.db2.gz YOKWKQGNKFZDHR-LBPRGKRZSA-N 1 0 380.493 1.989 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCC1(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091903 951785608 /nfs/dbraw/zinc/78/56/08/951785608.db2.gz YLGQBJGIRSGSMP-GWCFXTLKSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](CNC(=O)C[C@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091948 951786994 /nfs/dbraw/zinc/78/69/94/951786994.db2.gz ZNQFEFYDJXOEPY-BUXKBTBVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575095471 951811492 /nfs/dbraw/zinc/81/14/92/951811492.db2.gz UMQCNRMTAJQPHN-JTQLQIEISA-N 1 0 390.398 1.778 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1OCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095785 951814691 /nfs/dbraw/zinc/81/46/91/951814691.db2.gz WQTWCXJKXNKHES-AWEZNQCLSA-N 1 0 392.463 1.957 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1nccn1C ZINC001575096051 951816551 /nfs/dbraw/zinc/81/65/51/951816551.db2.gz YPWWNJWEVIIGSX-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098160 951821200 /nfs/dbraw/zinc/82/12/00/951821200.db2.gz BSBMHQXKFZDVMF-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098762 951826478 /nfs/dbraw/zinc/82/64/78/951826478.db2.gz GIZUPXAIYRVIEZ-LBPRGKRZSA-N 1 0 378.502 1.587 20 0 GDADRO C[C@H](CNC(=O)CC[C@@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099779 951839159 /nfs/dbraw/zinc/83/91/59/951839159.db2.gz OKRGQMHRAWYLKJ-STQMWFEESA-N 1 0 378.502 1.729 20 0 GDADRO C[C@@H](CNC(=O)c1cn2c(n1)CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099830 951839885 /nfs/dbraw/zinc/83/98/85/951839885.db2.gz PCMFORLDIHDHBL-LLVKDONJSA-N 1 0 386.485 1.227 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101470 951860505 /nfs/dbraw/zinc/86/05/05/951860505.db2.gz FGPGHWWIHPPLKD-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575104199 951884743 /nfs/dbraw/zinc/88/47/43/951884743.db2.gz XZHLWESVVYXOIA-NSHDSACASA-N 1 0 392.464 1.345 20 0 GDADRO C[C@@H](CNC(=O)C[C@H](C)n1ccnc1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105456 951893111 /nfs/dbraw/zinc/89/31/11/951893111.db2.gz JYRWKSVACVEHHQ-CABCVRRESA-N 1 0 382.472 1.556 20 0 GDADRO C[C@@H](CNC(=O)Cn1cc(Cl)cn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105656 951899077 /nfs/dbraw/zinc/89/90/77/951899077.db2.gz MFVPCIBBDQEEGQ-GFCCVEGCSA-N 1 0 388.863 1.259 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CC12CCOCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106533 951904926 /nfs/dbraw/zinc/90/49/26/951904926.db2.gz RTQLERZYZUWGOI-WMLDXEAASA-N 1 0 384.484 1.525 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001575109555 951931491 /nfs/dbraw/zinc/93/14/91/951931491.db2.gz SKSCACFZKKXHJZ-AWEZNQCLSA-N 1 0 382.472 1.800 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1ccn(C)n1 ZINC001575110193 951936733 /nfs/dbraw/zinc/93/67/33/951936733.db2.gz XSMVCHGPDBQLCG-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]nc1C1CC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110030 951936931 /nfs/dbraw/zinc/93/69/31/951936931.db2.gz XHTAHBZGFKIOLU-LBPRGKRZSA-N 1 0 380.456 1.623 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114590 951959383 /nfs/dbraw/zinc/95/93/83/951959383.db2.gz QQCRUOVAYWZWJC-GFCCVEGCSA-N 1 0 380.456 1.623 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575145480 952184157 /nfs/dbraw/zinc/18/41/57/952184157.db2.gz YIAOCIDNGXYBMG-YJYMSZOUSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575148219 952203886 /nfs/dbraw/zinc/20/38/86/952203886.db2.gz YYYZYECGOKPNPF-JTQLQIEISA-N 1 0 388.382 1.589 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001575153371 952208996 /nfs/dbraw/zinc/20/89/96/952208996.db2.gz GSKXPPQZNXRLKM-HIFRSBDPSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575155104 952235717 /nfs/dbraw/zinc/23/57/17/952235717.db2.gz WIVWBTRAECGDEI-CYBMUJFWSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575165391 952308772 /nfs/dbraw/zinc/30/87/72/952308772.db2.gz SHYRSFGOMLCBJO-AVGNSLFASA-N 1 0 390.467 1.390 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575166765 952328147 /nfs/dbraw/zinc/32/81/47/952328147.db2.gz YNHHPFMVCISSEL-NSHDSACASA-N 1 0 390.879 1.270 20 0 GDADRO C[C@H](CNc1snc(Cl)c1-c1nn[nH]n1)N(C)C(=O)CCC[NH+](C)C ZINC001575178117 952405025 /nfs/dbraw/zinc/40/50/25/952405025.db2.gz KNZWRGJAPSHWCJ-SECBINFHSA-N 1 0 386.913 1.577 20 0 GDADRO CC[C@@H](F)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001571117162 952479338 /nfs/dbraw/zinc/47/93/38/952479338.db2.gz HMNIADAMGYRGKR-KDOFPFPSSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571117717 952484454 /nfs/dbraw/zinc/48/44/54/952484454.db2.gz OSTNIJMVCIFLFP-MWLCHTKSSA-N 1 0 375.483 1.635 20 0 GDADRO O=C([C@H]1C[C@@H]1c1ccccc1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571117982 952485906 /nfs/dbraw/zinc/48/59/06/952485906.db2.gz RPWGYARBQFIBGA-XHSDSOJGSA-N 1 0 375.436 1.500 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@H]([C@H]2CCC[N@@H+](CCF)C2)C1 ZINC001571118563 952487870 /nfs/dbraw/zinc/48/78/70/952487870.db2.gz XEHVTTPEYFTHDI-KBPBESRZSA-N 1 0 375.452 1.729 20 0 GDADRO CC[C@@H](F)C(=O)N1C[C@@H](C)[C@H](CCNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571118694 952489213 /nfs/dbraw/zinc/48/92/13/952489213.db2.gz YSMDDJZMUUMNLR-UXIGCNINSA-N 1 0 375.452 1.637 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571120389 952501794 /nfs/dbraw/zinc/50/17/94/952501794.db2.gz MALUXBXQFBJWOI-ABAIWWIYSA-N 1 0 376.411 1.991 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575201485 952503954 /nfs/dbraw/zinc/50/39/54/952503954.db2.gz PPKNEXJHEJPGHF-CZUORRHYSA-N 1 0 380.456 1.159 20 0 GDADRO Cc1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)s1 ZINC001571120524 952504894 /nfs/dbraw/zinc/50/48/94/952504894.db2.gz MVXMLSPSUBQYNV-AOOOYVTPSA-N 1 0 375.483 1.744 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575201979 952508475 /nfs/dbraw/zinc/50/84/75/952508475.db2.gz KJVCEGWOWYRJAR-MGPQQGTHSA-N 1 0 381.440 1.462 20 0 GDADRO O=C(CC1CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121872 952521752 /nfs/dbraw/zinc/52/17/52/952521752.db2.gz DAPHSLRQQJOWOS-JOCQHMNTSA-N 1 0 376.486 1.482 20 0 GDADRO CC(F)(F)C(=O)N1CC2(C1)CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2 ZINC001575205520 952525074 /nfs/dbraw/zinc/52/50/74/952525074.db2.gz ARIBAGGLZZJNJI-UHFFFAOYSA-N 1 0 376.411 1.946 20 0 GDADRO C[C@H](Cc1cnn(C)c1)C(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575205537 952525294 /nfs/dbraw/zinc/52/52/94/952525294.db2.gz AZCJAHPPUHMNKU-CQSZACIVSA-N 1 0 382.472 1.027 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)CC(C)(C)O ZINC001571122836 952526426 /nfs/dbraw/zinc/52/64/26/952526426.db2.gz MGULHXSPXVBALU-IAQYHMDHSA-N 1 0 376.436 1.246 20 0 GDADRO CO[C@H](C)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571124015 952533920 /nfs/dbraw/zinc/53/39/20/952533920.db2.gz XFBJTNIBFIHGHK-GFCCVEGCSA-N 1 0 376.436 1.464 20 0 GDADRO O=C(C[C@@H]1CCCC1(F)F)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571124260 952536047 /nfs/dbraw/zinc/53/60/47/952536047.db2.gz CWPHSLHKIGJDHP-NWDGAFQWSA-N 1 0 377.399 1.522 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001571124377 952537013 /nfs/dbraw/zinc/53/70/13/952537013.db2.gz HEQBIONWPUUXGQ-LBPRGKRZSA-N 1 0 377.399 1.522 20 0 GDADRO Cc1cc(N[C@@H]2CCCN(C(=O)[C@H]3CCC3(F)F)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124432 952538303 /nfs/dbraw/zinc/53/83/03/952538303.db2.gz IVKNZHXBTFYNKF-DGCLKSJQSA-N 1 0 377.399 1.440 20 0 GDADRO CC(F)(F)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C(C)(C)C1 ZINC001575208011 952538714 /nfs/dbraw/zinc/53/87/14/952538714.db2.gz YVTYEADPZIWRLX-CYBMUJFWSA-N 1 0 382.390 1.988 20 0 GDADRO CC(F)(F)C(=O)N1CCC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001575211862 952551593 /nfs/dbraw/zinc/55/15/93/952551593.db2.gz BDZJDHDEARNODS-LSDHHAIUSA-N 1 0 376.411 1.945 20 0 GDADRO O=C(Cc1cccnc1)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571127372 952554109 /nfs/dbraw/zinc/55/41/09/952554109.db2.gz FOPFZBPZBJTIIG-UHFFFAOYSA-N 1 0 377.452 1.489 20 0 GDADRO Cc1cnccc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571127845 952560676 /nfs/dbraw/zinc/56/06/76/952560676.db2.gz KNMZYGBGXRAHOO-GOSISDBHSA-N 1 0 377.452 1.503 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@H]21 ZINC001571127862 952561146 /nfs/dbraw/zinc/56/11/46/952561146.db2.gz KWACQXSDFIBFMN-MAUKXSAKSA-N 1 0 377.452 1.584 20 0 GDADRO Cc1ccncc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571128601 952568791 /nfs/dbraw/zinc/56/87/91/952568791.db2.gz VAXVHCIJPSCPLW-KRWDZBQOSA-N 1 0 377.452 1.965 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3ccncc3)[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134019 952584548 /nfs/dbraw/zinc/58/45/48/952584548.db2.gz BMJGMXLNNHIVPM-UKRRQHHQSA-N 1 0 378.440 1.492 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3ccncc3)[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134018 952585357 /nfs/dbraw/zinc/58/53/57/952585357.db2.gz BMJGMXLNNHIVPM-HIFRSBDPSA-N 1 0 378.440 1.492 20 0 GDADRO Cc1cnccc1C(=O)N1C[C@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571134189 952587744 /nfs/dbraw/zinc/58/77/44/952587744.db2.gz GBYUKIHLRBICJX-UONOGXRCSA-N 1 0 378.440 1.207 20 0 GDADRO CCN(C(=O)c1cnccn1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571134581 952593029 /nfs/dbraw/zinc/59/30/29/952593029.db2.gz HGYKAYPHOKZNAW-MRXNPFEDSA-N 1 0 378.440 1.393 20 0 GDADRO Cc1cc(N2CCCN(C(=O)Cc3cccnc3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135159 952600435 /nfs/dbraw/zinc/60/04/35/952600435.db2.gz QGRPLCILOZITKP-UHFFFAOYSA-N 1 0 378.440 1.247 20 0 GDADRO C[C@H](C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001571139070 952617934 /nfs/dbraw/zinc/61/79/34/952617934.db2.gz BLHQMHZPMWKKSI-BDJLRTHQSA-N 1 0 379.415 1.625 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)c1cccnc1 ZINC001571139615 952621062 /nfs/dbraw/zinc/62/10/62/952621062.db2.gz JWXWNRXIHXKSFS-QLPKVWCKSA-N 1 0 379.399 1.261 20 0 GDADRO Cc1conc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571140793 952628323 /nfs/dbraw/zinc/62/83/23/952628323.db2.gz GQDZNAAZTWTFLV-GDBMZVCRSA-N 1 0 379.424 1.510 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)c1cnccn1 ZINC001571141630 952634661 /nfs/dbraw/zinc/63/46/61/952634661.db2.gz JGPQSUGHOQLNDH-UHFFFAOYSA-N 1 0 378.440 1.488 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnc2n1CCC2 ZINC001571142007 952637811 /nfs/dbraw/zinc/63/78/11/952637811.db2.gz NEDICFQRWMMHGD-OAHLLOKOSA-N 1 0 378.440 1.014 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)C1CC2(CC2)C1 ZINC001571141972 952638191 /nfs/dbraw/zinc/63/81/91/952638191.db2.gz MCUXUTRCGUVMII-NNZMDNLPSA-N 1 0 378.480 1.851 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3ccccc3O)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571142657 952645366 /nfs/dbraw/zinc/64/53/66/952645366.db2.gz ZPBNQTBUCKRZDA-WFASDCNBSA-N 1 0 379.424 1.413 20 0 GDADRO O=C(c1ccon1)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571147202 952659069 /nfs/dbraw/zinc/65/90/69/952659069.db2.gz IWYUDWUJYMMXIR-WBVHZDCISA-N 1 0 379.424 1.591 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)Cc2ccc[nH]2)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571150407 952667545 /nfs/dbraw/zinc/66/75/45/952667545.db2.gz AENIFEKLXIUSCI-RHSMWYFYSA-N 1 0 379.468 1.907 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001571151180 952673774 /nfs/dbraw/zinc/67/37/74/952673774.db2.gz NABZKJMWWCJEGM-MAUKXSAKSA-N 1 0 379.468 1.962 20 0 GDADRO Cc1ccc(CC[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C)cc1 ZINC001571151756 952678271 /nfs/dbraw/zinc/67/82/71/952678271.db2.gz WPRWDODUAWMLIS-GDBMZVCRSA-N 1 0 379.468 1.939 20 0 GDADRO O=C(N[C@]12CCC[C@H]1[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)CC2)C(F)F ZINC001571152669 952684207 /nfs/dbraw/zinc/68/42/07/952684207.db2.gz JSPRUKSCGSIKMT-DYVFJYSZSA-N 1 0 380.374 1.884 20 0 GDADRO Cc1ocnc1C(=O)N[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001571160680 952727197 /nfs/dbraw/zinc/72/71/97/952727197.db2.gz LGQMFJGXUFCJNQ-UONOGXRCSA-N 1 0 380.412 1.133 20 0 GDADRO O=C(Cc1ccccc1F)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571165412 952750700 /nfs/dbraw/zinc/75/07/00/952750700.db2.gz CUNMFVMDLNZDKJ-MRXNPFEDSA-N 1 0 380.427 1.939 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc[nH]n2)CC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571166723 952764476 /nfs/dbraw/zinc/76/44/76/952764476.db2.gz OZKSIADHMYPCDU-CJNGLKHVSA-N 1 0 380.456 1.478 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)Cn1cccn1 ZINC001571166912 952766815 /nfs/dbraw/zinc/76/68/15/952766815.db2.gz RLBLRKWTBGESFM-MRXNPFEDSA-N 1 0 380.456 1.090 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167032 952769218 /nfs/dbraw/zinc/76/92/18/952769218.db2.gz TVFVUBVBBFWLRT-CZUORRHYSA-N 1 0 380.456 1.098 20 0 GDADRO CCCn1nccc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571167145 952769972 /nfs/dbraw/zinc/76/99/72/952769972.db2.gz WNRBHPPZMHRKSR-OAHLLOKOSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H]([NH2+]Cc1ccccn1)[C@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571167154 952770531 /nfs/dbraw/zinc/77/05/31/952770531.db2.gz WPOCUEJQFQCKRK-SUMWQHHRSA-N 1 0 380.456 1.763 20 0 GDADRO CC1(C)CN(C(=O)Cn2cccn2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571167226 952771452 /nfs/dbraw/zinc/77/14/52/952771452.db2.gz ZBUUCOKAROFOIG-INIZCTEOSA-N 1 0 380.456 1.090 20 0 GDADRO CCn1nccc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571169358 952772920 /nfs/dbraw/zinc/77/29/20/952772920.db2.gz AOPDSUQAGROMSS-MRXNPFEDSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1ncc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571169370 952772980 /nfs/dbraw/zinc/77/29/80/952772980.db2.gz AUGKADNZIGBIDS-BLLLJJGKSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1c[nH]c(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)n1 ZINC001571169495 952774663 /nfs/dbraw/zinc/77/46/63/952774663.db2.gz FBPCANYHRADTIL-CJNGLKHVSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571169568 952775957 /nfs/dbraw/zinc/77/59/57/952775957.db2.gz GVTDAGDFOSUTRQ-MLGOLLRUSA-N 1 0 380.456 1.539 20 0 GDADRO CCn1cccc1C(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571169648 952776905 /nfs/dbraw/zinc/77/69/05/952776905.db2.gz JLSNNNYRMGUUIF-HIFRSBDPSA-N 1 0 380.456 1.516 20 0 GDADRO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[nH]n1 ZINC001571170094 952783014 /nfs/dbraw/zinc/78/30/14/952783014.db2.gz SRAZENFJCTZGEA-MRXNPFEDSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1nc(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c[nH]1 ZINC001571170156 952784179 /nfs/dbraw/zinc/78/41/79/952784179.db2.gz UHRLHUKEZXGKPY-LRDDRELGSA-N 1 0 380.456 1.396 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC001571170554 952786786 /nfs/dbraw/zinc/78/67/86/952786786.db2.gz WKNPRIUHISKOIH-MRXNPFEDSA-N 1 0 380.456 1.255 20 0 GDADRO CCn1nc(C)cc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571170622 952787523 /nfs/dbraw/zinc/78/75/23/952787523.db2.gz XHHZVUQLDLLUTQ-MRXNPFEDSA-N 1 0 380.456 1.396 20 0 GDADRO Cn1nccc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571171513 952794160 /nfs/dbraw/zinc/79/41/60/952794160.db2.gz BGTRLJQCEHZOFT-OAHLLOKOSA-N 1 0 380.456 1.385 20 0 GDADRO Cn1nccc1C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171710 952795613 /nfs/dbraw/zinc/79/56/13/952795613.db2.gz DPUXXDWMHQIWHW-GDBMZVCRSA-N 1 0 380.456 1.289 20 0 GDADRO Cn1cncc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571172189 952803317 /nfs/dbraw/zinc/80/33/17/952803317.db2.gz OTRZULYKKFHLNO-OAHLLOKOSA-N 1 0 380.456 1.385 20 0 GDADRO Cc1cc(N2CC[C@@H](CNC(=O)c3cccc(F)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571178477 952842352 /nfs/dbraw/zinc/84/23/52/952842352.db2.gz KAXYXDVYXZLVDO-ZDUSSCGKSA-N 1 0 381.415 1.966 20 0 GDADRO C[C@H](NC(=O)c1ncccc1F)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571178567 952842922 /nfs/dbraw/zinc/84/29/22/952842922.db2.gz NFURKSKWHKTTKA-LBPRGKRZSA-N 1 0 381.415 1.651 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)c1ccc(F)cn1 ZINC001571178686 952844828 /nfs/dbraw/zinc/84/48/28/952844828.db2.gz RAYILTZUGIUKRB-LRDDRELGSA-N 1 0 381.415 1.794 20 0 GDADRO Cc1cc(CCC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC001571181028 952863298 /nfs/dbraw/zinc/86/32/98/952863298.db2.gz UARKEYCCYVAAJJ-QGZVFWFLSA-N 1 0 381.440 1.486 20 0 GDADRO Cc1nocc1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571181757 952864660 /nfs/dbraw/zinc/86/46/60/952864660.db2.gz YAEVZJUIBHJKRP-AWEZNQCLSA-N 1 0 381.440 1.757 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC001571181780 952865881 /nfs/dbraw/zinc/86/58/81/952865881.db2.gz YGSGXGZKVIGXDL-GOEBONIOSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571181863 952865990 /nfs/dbraw/zinc/86/59/90/952865990.db2.gz ZCGKSZUMVMOZQR-CSMYWGQOSA-N 1 0 381.440 1.039 20 0 GDADRO CC[C@H]1CN(C(=O)c2cocn2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571183004 952871963 /nfs/dbraw/zinc/87/19/63/952871963.db2.gz LXGXNBXORNGDBW-GOEBONIOSA-N 1 0 381.440 1.885 20 0 GDADRO CCCc1nc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571183049 952873388 /nfs/dbraw/zinc/87/33/88/952873388.db2.gz MZHXAQBHZWKQJQ-HNNXBMFYSA-N 1 0 381.440 1.812 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cncc(F)c1 ZINC001571183059 952873402 /nfs/dbraw/zinc/87/34/02/952873402.db2.gz NBWMEQUEAKJNJZ-WJYNOGRTSA-N 1 0 381.415 1.699 20 0 GDADRO CCc1ocnc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571183189 952874128 /nfs/dbraw/zinc/87/41/28/952874128.db2.gz RYEOMPCBNMGRBC-CQSZACIVSA-N 1 0 381.440 1.812 20 0 GDADRO CCc1nc(C(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)co1 ZINC001571183297 952876528 /nfs/dbraw/zinc/87/65/28/952876528.db2.gz WANRXBLAYQOSSQ-WFASDCNBSA-N 1 0 381.440 1.810 20 0 GDADRO Cc1ccncc1C(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571183350 952876790 /nfs/dbraw/zinc/87/67/90/952876790.db2.gz YCGBSIGPRTVLAC-AWEZNQCLSA-N 1 0 381.415 1.714 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001571183638 952881193 /nfs/dbraw/zinc/88/11/93/952881193.db2.gz GNRARXSRTGQZGH-LRDDRELGSA-N 1 0 381.444 1.158 20 0 GDADRO CC[C@@H]1CN(C(=O)c2c[nH]nc2C)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571183672 952881319 /nfs/dbraw/zinc/88/13/19/952881319.db2.gz HELLQXIIFPCPIU-IUODEOHRSA-N 1 0 381.444 1.068 20 0 GDADRO CCn1ccnc1C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571185056 952900171 /nfs/dbraw/zinc/90/01/71/952900171.db2.gz HWDSEWATUQWHPM-CYBMUJFWSA-N 1 0 381.444 1.137 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](C(=O)Nc2cnn(-c3ncccc3-c3nn[nH]n3)c2)C1 ZINC001571186259 952905395 /nfs/dbraw/zinc/90/53/95/952905395.db2.gz ULGRKEFOGZSJHT-OCCSQVGLSA-N 1 0 381.444 1.506 20 0 GDADRO Cc1cnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nc1 ZINC001571188150 952912685 /nfs/dbraw/zinc/91/26/85/952912685.db2.gz GUMZRMXOZHDNDX-KGLIPLIRSA-N 1 0 381.444 1.124 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)c3cn(C(C)C)cn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188604 952916842 /nfs/dbraw/zinc/91/68/42/952916842.db2.gz LPYASOAQNXZOLF-ZDUSSCGKSA-N 1 0 381.444 1.356 20 0 GDADRO Cc1ncc(C(=O)N[C@H](C)[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)[nH]1 ZINC001571189878 952936022 /nfs/dbraw/zinc/93/60/22/952936022.db2.gz YGSGHQWXXDHZFC-DGCLKSJQSA-N 1 0 381.444 1.328 20 0 GDADRO Cc1cc(N2C[C@@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189862 952936508 /nfs/dbraw/zinc/93/65/08/952936508.db2.gz XYBLMBBKWCFCSM-OKILXGFUSA-N 1 0 381.465 1.840 20 0 GDADRO Cc1ncc(C(=O)N[C@H](C)[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)[nH]1 ZINC001571189880 952936731 /nfs/dbraw/zinc/93/67/31/952936731.db2.gz YGSGHQWXXDHZFC-YPMHNXCESA-N 1 0 381.444 1.328 20 0 GDADRO CC(F)(F)C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571193818 952952849 /nfs/dbraw/zinc/95/28/49/952952849.db2.gz DHCCWUAKWYWNIB-NSHDSACASA-N 1 0 382.390 1.989 20 0 GDADRO C[C@H]([NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCN(C(=O)C(F)F)CC1 ZINC001571194756 952968369 /nfs/dbraw/zinc/96/83/69/952968369.db2.gz RYTZHALZSSHATR-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)c3ncccc3F)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571196926 952985200 /nfs/dbraw/zinc/98/52/00/952985200.db2.gz QAHPPKUOSZYPMO-BMIGLBTASA-N 1 0 382.403 1.099 20 0 GDADRO Cc1conc1C(=O)NCC1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571200121 953007822 /nfs/dbraw/zinc/00/78/22/953007822.db2.gz AWKDEPVDHPBZGS-UHFFFAOYSA-N 1 0 382.428 1.513 20 0 GDADRO Cc1nc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@@H]2C)co1 ZINC001571201327 953016052 /nfs/dbraw/zinc/01/60/52/953016052.db2.gz KCKLZHMGHYECMN-AAEUAGOBSA-N 1 0 382.428 1.394 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)on1 ZINC001571201635 953019260 /nfs/dbraw/zinc/01/92/60/953019260.db2.gz MAWXZLLATHIEBV-JSGCOSHPSA-N 1 0 382.428 1.381 20 0 GDADRO Cc1cc(NC[C@H]2CCN(C(=O)c3ccon3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571202595 953026294 /nfs/dbraw/zinc/02/62/94/953026294.db2.gz VNZYJWNCOIEYBX-DGCLKSJQSA-N 1 0 382.428 1.190 20 0 GDADRO Cc1nocc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 ZINC001571205325 953037102 /nfs/dbraw/zinc/03/71/02/953037102.db2.gz GXCNCGTXNGZLAN-GJZGRUSLSA-N 1 0 382.428 1.322 20 0 GDADRO Cc1ncc(C[N@@H+]2CCCC3(CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C3)C2)o1 ZINC001571206633 953054225 /nfs/dbraw/zinc/05/42/25/953054225.db2.gz SDOHBHFVVKRRBE-UHFFFAOYSA-N 1 0 382.428 1.229 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C2=CCOCC2)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571209801 953067976 /nfs/dbraw/zinc/06/79/76/953067976.db2.gz FGDILSJDWGMEOA-WMLDXEAASA-N 1 0 382.468 1.683 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)[C@@H]1CC12CCC2 ZINC001571210025 953070442 /nfs/dbraw/zinc/07/04/42/953070442.db2.gz LWNTUSWAOHWUME-QSJFSLAZSA-N 1 0 382.443 1.742 20 0 GDADRO O=C(C[C@@H]1CCCO1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571210233 953071420 /nfs/dbraw/zinc/07/14/20/953071420.db2.gz PATLKODUCLMHAL-FZCLSBEQSA-N 1 0 382.468 1.657 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001571210627 953072949 /nfs/dbraw/zinc/07/29/49/953072949.db2.gz UYEPMOUGCVNZSK-IDTSGUGQSA-N 1 0 382.468 1.086 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571210882 953075455 /nfs/dbraw/zinc/07/54/55/953075455.db2.gz ZHBKDHSUIFFJEC-YXWSMURKSA-N 1 0 382.468 1.371 20 0 GDADRO C[C@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571212206 953084865 /nfs/dbraw/zinc/08/48/65/953084865.db2.gz IYKVYJQFYDURFN-UONOGXRCSA-N 1 0 382.472 1.006 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1 ZINC001571217396 953108352 /nfs/dbraw/zinc/10/83/52/953108352.db2.gz KPHQPCSBBVNQTD-QWRGUYRKSA-N 1 0 383.378 1.445 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1cc[nH]c(=O)c1 ZINC001571218733 953118654 /nfs/dbraw/zinc/11/86/54/953118654.db2.gz ZYSPKGUHPGPAHO-ZDUSSCGKSA-N 1 0 383.387 1.111 20 0 GDADRO Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571229334 953169124 /nfs/dbraw/zinc/16/91/24/953169124.db2.gz CIPZRAFGTMQDPL-JNSHFYNHSA-N 1 0 383.431 1.941 20 0 GDADRO Cc1c[nH]cc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571229837 953172114 /nfs/dbraw/zinc/17/21/14/953172114.db2.gz OXIHFTUEJAZACE-HDJSIYSDSA-N 1 0 383.431 1.941 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC001571229810 953172312 /nfs/dbraw/zinc/17/23/12/953172312.db2.gz OIBFEQAESBVJED-CQSZACIVSA-N 1 0 383.431 1.928 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccn2C)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571230046 953173502 /nfs/dbraw/zinc/17/35/02/953173502.db2.gz RLNQIPFKWXYHKP-WBMJQRKESA-N 1 0 383.431 1.595 20 0 GDADRO Cc1cc(N2CCC[C@H](CNC(=O)C3=CCOCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233392 953192088 /nfs/dbraw/zinc/19/20/88/953192088.db2.gz UEIPWCYEJOSGLU-CQSZACIVSA-N 1 0 383.456 1.249 20 0 GDADRO Cc1c(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)cnn1C ZINC001571238999 953235012 /nfs/dbraw/zinc/23/50/12/953235012.db2.gz DVRHXKAWOJRCGH-ZDUSSCGKSA-N 1 0 384.419 1.052 20 0 GDADRO Cc1c[nH]c(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)n1 ZINC001571239230 953236974 /nfs/dbraw/zinc/23/69/74/953236974.db2.gz ICJNQDZGDRVAQP-BMIGLBTASA-N 1 0 384.419 1.288 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571239390 953238426 /nfs/dbraw/zinc/23/84/26/953238426.db2.gz KAABUFQFVYEBNK-CQSZACIVSA-N 1 0 384.419 1.432 20 0 GDADRO CCc1nocc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571242562 953257764 /nfs/dbraw/zinc/25/77/64/953257764.db2.gz JAFOLCLHMYVIED-SMDDNHRTSA-N 1 0 384.444 1.434 20 0 GDADRO CCc1onc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571243058 953262483 /nfs/dbraw/zinc/26/24/83/953262483.db2.gz UXFHBUJYSIVDDK-AULYBMBSSA-N 1 0 384.444 1.352 20 0 GDADRO Cc1nscc1C(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571244702 953265813 /nfs/dbraw/zinc/26/58/13/953265813.db2.gz FPTRSBFOWCVKST-LBPRGKRZSA-N 1 0 384.469 1.474 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)c2nccs2)C1 ZINC001571245399 953272945 /nfs/dbraw/zinc/27/29/45/953272945.db2.gz HNUZACABRCYOEQ-NWDGAFQWSA-N 1 0 384.469 1.493 20 0 GDADRO Cc1ncc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)o1 ZINC001571247535 953283447 /nfs/dbraw/zinc/28/34/47/953283447.db2.gz AIFYYARUZUIDRR-YPMHNXCESA-N 1 0 384.444 1.522 20 0 GDADRO CC(C)C[NH+]1CCC(C(=O)N2CC(Oc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001571247635 953283978 /nfs/dbraw/zinc/28/39/78/953283978.db2.gz BHLQURYGNCSQNB-UHFFFAOYSA-N 1 0 384.484 1.824 20 0 GDADRO Cc1ncc(C(=O)N2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)s1 ZINC001571247802 953285998 /nfs/dbraw/zinc/28/59/98/953285998.db2.gz FKSCSDVGXDIFHN-GFCCVEGCSA-N 1 0 384.469 1.555 20 0 GDADRO Cc1nnsc1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H]1C ZINC001571247879 953287058 /nfs/dbraw/zinc/28/70/58/953287058.db2.gz HBLUBFBNCNDGIJ-FZMZJTMJSA-N 1 0 384.469 1.419 20 0 GDADRO Cc1nc(C)c(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C)o1 ZINC001571248087 953290162 /nfs/dbraw/zinc/29/01/62/953290162.db2.gz DOXWMTBRBCQJGR-HZMBPMFUSA-N 1 0 384.444 1.440 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571248183 953290687 /nfs/dbraw/zinc/29/06/87/953290687.db2.gz MYAVYICONWTOGX-GFCCVEGCSA-N 1 0 384.469 1.413 20 0 GDADRO CC(C)(C)C(=O)N1CC[C@]2(C1)CN(Cc1ccccc1-c1nn[nH]n1)CCO2 ZINC001571248222 953290848 /nfs/dbraw/zinc/29/08/48/953290848.db2.gz NTSHWQGTVRLMGY-HXUWFJFHSA-N 1 0 384.484 1.716 20 0 GDADRO CC(C)C(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571248248 953291527 /nfs/dbraw/zinc/29/15/27/953291527.db2.gz OMZIRFXXCXJBOS-YWZLYKJASA-N 1 0 384.484 1.715 20 0 GDADRO CC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC001571248497 953294620 /nfs/dbraw/zinc/29/46/20/953294620.db2.gz VWLGBKPWAXMPTM-INIZCTEOSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1COCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248632 953295166 /nfs/dbraw/zinc/29/51/66/953295166.db2.gz WRNSJIAPVFAYTM-XJNFMUPTSA-N 1 0 384.484 1.524 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCC1 ZINC001571249081 953300916 /nfs/dbraw/zinc/30/09/16/953300916.db2.gz CRHHAAFTYQMTLK-AWEZNQCLSA-N 1 0 384.488 1.397 20 0 GDADRO O=C([C@H]1CCCOC1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571249186 953301901 /nfs/dbraw/zinc/30/19/01/953301901.db2.gz FNOQIXRLDJJMKV-ZWKOTPCHSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCCO1 ZINC001571249419 953304470 /nfs/dbraw/zinc/30/44/70/953304470.db2.gz IOKKNNUFMUZNST-WMZOPIPTSA-N 1 0 384.484 1.907 20 0 GDADRO O=C(C[C@H]1CCCO1)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571250672 953311973 /nfs/dbraw/zinc/31/19/73/953311973.db2.gz SCQSHJFSGWWQQI-FUHWJXTLSA-N 1 0 384.484 1.764 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](C)C2)c(C)o1 ZINC001571251733 953319527 /nfs/dbraw/zinc/31/95/27/953319527.db2.gz VUKAFAFTJKLDMY-YGRLFVJLSA-N 1 0 384.444 1.583 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NCC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001571251838 953320298 /nfs/dbraw/zinc/32/02/98/953320298.db2.gz AXQKCJKXASJMBG-GOEBONIOSA-N 1 0 384.488 1.315 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CCNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571251962 953321487 /nfs/dbraw/zinc/32/14/87/953321487.db2.gz CUSWMPHUWONDAH-YOEHRIQHSA-N 1 0 384.488 1.397 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001571252151 953323999 /nfs/dbraw/zinc/32/39/99/953323999.db2.gz ILQNAYIWRJWYFO-HNNXBMFYSA-N 1 0 384.488 1.315 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001571252284 953326304 /nfs/dbraw/zinc/32/63/04/953326304.db2.gz JRPMDMLGTFLGAM-MGDFLTFMSA-N 1 0 384.509 1.911 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001571252669 953332272 /nfs/dbraw/zinc/33/22/72/953332272.db2.gz SYRTZBDDVDULSE-GDBMZVCRSA-N 1 0 384.488 1.397 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)o1 ZINC001571254061 953336217 /nfs/dbraw/zinc/33/62/17/953336217.db2.gz CTDBTKGZHYVXDD-CQSZACIVSA-N 1 0 385.403 1.235 20 0 GDADRO C[C@H]1CN(C(=O)c2cnco2)CC[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571254287 953337934 /nfs/dbraw/zinc/33/79/34/953337934.db2.gz FHYPOGWCRLLZKL-NHYWBVRUSA-N 1 0 385.403 1.634 20 0 GDADRO Cc1ocnc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571254479 953339157 /nfs/dbraw/zinc/33/91/57/953339157.db2.gz GWPWZBRCBURXEA-BMIGLBTASA-N 1 0 385.403 1.553 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)c1ccon1 ZINC001571254788 953343348 /nfs/dbraw/zinc/34/33/48/953343348.db2.gz JAOZKGBNLPAYSJ-UHFFFAOYSA-N 1 0 385.403 1.636 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)no1 ZINC001571255405 953348683 /nfs/dbraw/zinc/34/86/83/953348683.db2.gz ONMISYFGPOCJOD-QLJPJBMISA-N 1 0 385.403 1.553 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001571255375 953348888 /nfs/dbraw/zinc/34/88/88/953348888.db2.gz OGSZMQJSKBANEQ-CQSZACIVSA-N 1 0 385.403 1.269 20 0 GDADRO CC[C@@H](C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001571255492 953349695 /nfs/dbraw/zinc/34/96/95/953349695.db2.gz LVGVQQQLLKCMAG-IUCAKERBSA-N 1 0 384.897 1.330 20 0 GDADRO Cc1cc(C(=O)N2CCC([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CC2)no1 ZINC001571255892 953357266 /nfs/dbraw/zinc/35/72/66/953357266.db2.gz VVIMTLQCHPSYPZ-UHFFFAOYSA-N 1 0 385.403 1.697 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)c1cnco1 ZINC001571255907 953358176 /nfs/dbraw/zinc/35/81/76/953358176.db2.gz WJGDLPSHUHUYRP-ZDUSSCGKSA-N 1 0 385.403 1.778 20 0 GDADRO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)[NH+]2CCCC2)o1 ZINC000874389934 956138370 /nfs/dbraw/zinc/13/83/70/956138370.db2.gz ZHTGDPRWSCXJQX-INIZCTEOSA-N 1 0 378.473 1.573 20 0 GDADRO O=C([O-])c1ccccc1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000874389830 956138897 /nfs/dbraw/zinc/13/88/97/956138897.db2.gz SNTWOSLHYRFYHP-UHFFFAOYSA-N 1 0 397.479 1.791 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC001261908687 969691169 /nfs/dbraw/zinc/69/11/69/969691169.db2.gz WBMBKWMAOBMFRT-SFHVURJKSA-N 1 0 388.512 1.399 20 0 GDADRO CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)[NH+]1CCc2ccccc2C1 ZINC001595147521 979628241 /nfs/dbraw/zinc/62/82/41/979628241.db2.gz SVAUOUMLAFAJFO-RTBURBONSA-N 1 0 388.512 1.481 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001596324035 983758166 /nfs/dbraw/zinc/75/81/66/983758166.db2.gz XPGWRRVHRJHXOV-UHFFFAOYSA-N 1 0 391.516 1.699 20 0 GDADRO CC[NH+]1CCC(C[N@@H+]2C[C@@H](C(=O)[O-])C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001596403322 983963408 /nfs/dbraw/zinc/96/34/08/983963408.db2.gz AZXDZLFBMVEPKK-INIZCTEOSA-N 1 0 381.517 1.972 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001596418657 984045930 /nfs/dbraw/zinc/04/59/30/984045930.db2.gz SEFWERPDVQXBLE-MRXNPFEDSA-N 1 0 397.541 1.730 20 0 GDADRO C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001598224317 990906388 /nfs/dbraw/zinc/90/63/88/990906388.db2.gz FIAMJHYSFKFHTQ-UHFFFAOYSA-N 1 0 387.477 1.170 20 0 GDADRO C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001598472800 992053554 /nfs/dbraw/zinc/05/35/54/992053554.db2.gz TYMUFEFTKPRNDG-UHFFFAOYSA-N 1 0 388.512 1.943 20 0 GDADRO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001598555629 993053360 /nfs/dbraw/zinc/05/33/60/993053360.db2.gz QUTSRKPGLPNBOQ-FRQCXROJSA-N 1 0 384.480 1.795 20 0 GDADRO CC1([NH+]2CCCC2)CCC(NC(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)CC1 ZINC001594048571 997722094 /nfs/dbraw/zinc/72/20/94/997722094.db2.gz QJKSNBVQLGFNIN-HECOIAHBSA-N 1 0 378.517 1.617 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC[N@@H+]1C ZINC001594195066 998757884 /nfs/dbraw/zinc/75/78/84/998757884.db2.gz ZEBNBENVGFIABG-RHSMWYFYSA-N 1 0 375.473 1.107 20 0 GDADRO C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+]1CCC(=O)[O-] ZINC001594465062 999682011 /nfs/dbraw/zinc/68/20/11/999682011.db2.gz KCKBKGSIIVSSIF-SFHVURJKSA-N 1 0 388.512 1.206 20 0 GDADRO COc1cc2nc(C[NH2+]C3(CO)Cc4ccccc4C3)[nH]c(=O)c2cc1OC ZINC000369316548 1126079804 /nfs/dbraw/zinc/07/98/04/1126079804.db2.gz AQZDMSPDEMGUGP-UHFFFAOYSA-N 1 0 381.432 1.972 20 0 GDADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000466913003 1126094273 /nfs/dbraw/zinc/09/42/73/1126094273.db2.gz DTGCYFBSCQBMGR-RTBURBONSA-N 1 0 377.510 1.418 20 0 GDADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000631236118 1126101805 /nfs/dbraw/zinc/10/18/05/1126101805.db2.gz AQOVRGYEESLWID-NRFANRHFSA-N 1 0 385.512 1.320 20 0 GDADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@](C)(CO)Cc1ccccc1F ZINC000631235948 1126101906 /nfs/dbraw/zinc/10/19/06/1126101906.db2.gz UVDXUVONBNSKCT-HXUWFJFHSA-N 1 0 376.476 1.788 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc(C3OCCO3)s2)[C@@H](O)C1 ZINC000865745970 1126116077 /nfs/dbraw/zinc/11/60/77/1126116077.db2.gz HKXFYCFYFSWPPV-STQMWFEESA-N 1 0 385.486 1.648 20 0 GDADRO COCCc1cc(NC(=O)C(=O)N2CCN(Cc3ccccc3C)CC2)n(C)n1 ZINC000178227321 252327771 /nfs/dbraw/zinc/32/77/71/252327771.db2.gz UDKPXGAGOZBZKX-UHFFFAOYSA-N 1 0 399.495 1.200 20 0 GDADRO Cc1sc2nc(CS[C@@H](C)C(=O)N3CC([NH+](C)C)C3)[nH]c(=O)c2c1C ZINC000158472772 530533160 /nfs/dbraw/zinc/53/31/60/530533160.db2.gz DXGZESCKDUASQS-NSHDSACASA-N 1 0 380.539 1.996 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccccc1OC(F)(F)F ZINC000158988528 530538361 /nfs/dbraw/zinc/53/83/61/530538361.db2.gz YOVSJMLYCRDZMA-UHFFFAOYSA-N 1 0 382.404 1.710 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000158990737 530538726 /nfs/dbraw/zinc/53/87/26/530538726.db2.gz XXAYNTIFJIXXQP-UHFFFAOYSA-N 1 0 391.331 1.883 20 0 GDADRO C[C@H](CNC(=O)NCCN(C)S(=O)(=O)c1cccs1)C[NH+]1CCCC1 ZINC000159113199 530539988 /nfs/dbraw/zinc/53/99/88/530539988.db2.gz KJBAWFFTJZNIDY-CQSZACIVSA-N 1 0 388.559 1.400 20 0 GDADRO COc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1Cl ZINC000161726645 530563247 /nfs/dbraw/zinc/56/32/47/530563247.db2.gz SNGZXJGRQSVGSN-CYBMUJFWSA-N 1 0 376.906 1.864 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000161938984 530564670 /nfs/dbraw/zinc/56/46/70/530564670.db2.gz MDZVBPSEWAHWHF-KGLIPLIRSA-N 1 0 389.315 1.750 20 0 GDADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000162517950 530568689 /nfs/dbraw/zinc/56/86/89/530568689.db2.gz OMNOINLCYUAQHA-IAGOWNOFSA-N 1 0 375.579 1.967 20 0 GDADRO CCOCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000167071386 530583650 /nfs/dbraw/zinc/58/36/50/530583650.db2.gz OVTLLAIEFIBIJD-ZWKOTPCHSA-N 1 0 375.579 1.622 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000163134117 530573316 /nfs/dbraw/zinc/57/33/16/530573316.db2.gz RKPRGCCURSTIMZ-SKDRFNHKSA-N 1 0 381.230 1.665 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000163603269 530576190 /nfs/dbraw/zinc/57/61/90/530576190.db2.gz BIUAHVUFECEOOZ-RNCFNFMXSA-N 1 0 377.869 1.539 20 0 GDADRO CN1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1=O ZINC000163840216 530577831 /nfs/dbraw/zinc/57/78/31/530577831.db2.gz OXKJFQUIQVMSKX-OAHLLOKOSA-N 1 0 397.317 1.753 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000171221329 530595768 /nfs/dbraw/zinc/59/57/68/530595768.db2.gz QIXRADXYIRYYGS-UHFFFAOYSA-N 1 0 397.317 1.450 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000171851694 530604592 /nfs/dbraw/zinc/60/45/92/530604592.db2.gz BKGMYMFJTYFGHD-UHFFFAOYSA-N 1 0 398.301 1.887 20 0 GDADRO C[C@H]1CS(=O)(=O)CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000172381094 530612803 /nfs/dbraw/zinc/61/28/03/530612803.db2.gz PSGPGONDOLTRRS-AWEZNQCLSA-N 1 0 385.555 1.789 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccc(Br)nc3)ccn2)CC1 ZINC000174099914 530643228 /nfs/dbraw/zinc/64/32/28/530643228.db2.gz ZSJCNPIWSIJYEO-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000176341031 530681873 /nfs/dbraw/zinc/68/18/73/530681873.db2.gz FDZQSBWUIGMPRT-UHFFFAOYSA-N 1 0 397.317 1.530 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH+]1CCC(CO)CC1 ZINC000046090776 530648857 /nfs/dbraw/zinc/64/88/57/530648857.db2.gz LLUXMWNORRIEIV-UHFFFAOYSA-N 1 0 385.302 1.991 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(NC(N)=O)CC1 ZINC000175754021 530669913 /nfs/dbraw/zinc/66/99/13/530669913.db2.gz AQKWMFNFJKKLCC-LBPRGKRZSA-N 1 0 397.317 1.929 20 0 GDADRO COc1cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)ccc1Br ZINC000175824398 530671013 /nfs/dbraw/zinc/67/10/13/530671013.db2.gz HNHGEOCBDSGHCH-UHFFFAOYSA-N 1 0 384.274 1.998 20 0 GDADRO COc1cc(NC(=O)C(=O)NCCC[NH+]2CCCC2)ccc1Br ZINC000175822032 530671299 /nfs/dbraw/zinc/67/12/99/530671299.db2.gz CLHHJAJYDQTCAL-UHFFFAOYSA-N 1 0 384.274 1.998 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000049048000 530672356 /nfs/dbraw/zinc/67/23/56/530672356.db2.gz DECJOEQTENHUJX-HNNXBMFYSA-N 1 0 398.301 1.861 20 0 GDADRO CN(CCCNC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)S(C)(=O)=O ZINC000052515430 530685636 /nfs/dbraw/zinc/68/56/36/530685636.db2.gz RKWKCQVQOGRFFP-KRWDZBQOSA-N 1 0 387.933 1.778 20 0 GDADRO CCN(CCCNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)S(C)(=O)=O ZINC000052558260 530685702 /nfs/dbraw/zinc/68/57/02/530685702.db2.gz ZFYJYHXNBWPOJZ-RDJZCZTQSA-N 1 0 376.567 1.468 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)o1)NCCCC[NH+]1CCOCC1 ZINC000053449777 530692564 /nfs/dbraw/zinc/69/25/64/530692564.db2.gz CQQXSXATMDMTSG-UHFFFAOYSA-N 1 0 388.262 1.001 20 0 GDADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000053699131 530695554 /nfs/dbraw/zinc/69/55/54/530695554.db2.gz BKUWILSNTMBBPQ-ZDUSSCGKSA-N 1 0 389.543 1.123 20 0 GDADRO C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[N@@H+]1C1CC1 ZINC000177157954 530698815 /nfs/dbraw/zinc/69/88/15/530698815.db2.gz LESGKFQVYAHNDU-RYUDHWBXSA-N 1 0 385.917 1.945 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000177568028 530706477 /nfs/dbraw/zinc/70/64/77/530706477.db2.gz BAHRVZIEXAJJAR-CYBMUJFWSA-N 1 0 397.317 1.448 20 0 GDADRO O=C(c1cc(I)c[nH]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178092041 530715796 /nfs/dbraw/zinc/71/57/96/530715796.db2.gz VGICCQNRYLKXBQ-NSHDSACASA-N 1 0 389.237 1.414 20 0 GDADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178104363 530715830 /nfs/dbraw/zinc/71/58/30/530715830.db2.gz SCMQONGHVQGBFH-LBPRGKRZSA-N 1 0 397.269 1.972 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CCNC(=O)C2CC2)ccc1S(=O)(=O)C(F)F ZINC000178213487 530717880 /nfs/dbraw/zinc/71/78/80/530717880.db2.gz FXQUVLYKMKJJBI-SNVBAGLBSA-N 1 0 376.425 1.868 20 0 GDADRO C[NH+](C)C1(CNC(=O)CSCc2cc(=O)n3ccsc3n2)CCCC1 ZINC000056529319 530719609 /nfs/dbraw/zinc/71/96/09/530719609.db2.gz UEWUIWAAVWCOHY-UHFFFAOYSA-N 1 0 380.539 1.980 20 0 GDADRO CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000179097116 530735828 /nfs/dbraw/zinc/73/58/28/530735828.db2.gz GXUAZGDOCZCJHY-ZDUSSCGKSA-N 1 0 385.917 1.949 20 0 GDADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179358218 530739103 /nfs/dbraw/zinc/73/91/03/530739103.db2.gz QBZKKPQLTINIGG-CZUORRHYSA-N 1 0 382.302 1.630 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000061475305 530740444 /nfs/dbraw/zinc/74/04/44/530740444.db2.gz XWWSRUCRIVQAMU-UHFFFAOYSA-N 1 0 375.441 1.043 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000179577963 530744118 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Cc1ccc(C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C(C)C)s1 ZINC000065162477 530754039 /nfs/dbraw/zinc/75/40/39/530754039.db2.gz GDPKBXXEFXEIHR-UHFFFAOYSA-N 1 0 375.560 1.665 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000066127327 530758771 /nfs/dbraw/zinc/75/87/71/530758771.db2.gz FQCSQBUXZPGOGU-ZDUSSCGKSA-N 1 0 375.922 1.855 20 0 GDADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000180223019 530760896 /nfs/dbraw/zinc/76/08/96/530760896.db2.gz GRPDLZOZQWSVKV-LLVKDONJSA-N 1 0 394.273 1.909 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000179617846 530745979 /nfs/dbraw/zinc/74/59/79/530745979.db2.gz DUENBKXYGWEPBO-SFHVURJKSA-N 1 0 376.563 1.956 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000063723493 530747428 /nfs/dbraw/zinc/74/74/28/530747428.db2.gz HCKBOWHMAKNUQZ-UHFFFAOYSA-N 1 0 382.873 1.903 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000064308924 530749176 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CN(CCc1ccc(Br)cc1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000237209156 531043877 /nfs/dbraw/zinc/04/38/77/531043877.db2.gz NXCDCTTVAXBWRB-ZDUSSCGKSA-N 1 0 377.304 1.212 20 0 GDADRO COc1cc(I)c(C(=O)N(C)[C@@H](C)C[NH3+])cc1OC ZINC000237188305 531043888 /nfs/dbraw/zinc/04/38/88/531043888.db2.gz HQMGUKMGWXVTIZ-QMMMGPOBSA-N 1 0 378.210 1.728 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000237195114 531044171 /nfs/dbraw/zinc/04/41/71/531044171.db2.gz AEKFIBWVMFQOJF-ZDUSSCGKSA-N 1 0 381.523 1.812 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000237323984 531045165 /nfs/dbraw/zinc/04/51/65/531045165.db2.gz APRRQZCMJGWQEE-JTQLQIEISA-N 1 0 382.258 1.536 20 0 GDADRO O=C(C[C@H]1CC[NH2+]C1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000128846514 531045287 /nfs/dbraw/zinc/04/52/87/531045287.db2.gz QIMYUUGPUSETKO-CYBMUJFWSA-N 1 0 380.286 1.733 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CN1c2ccc(Br)cc2OCC1=O ZINC000237347716 531046159 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1.159 20 0 GDADRO C[C@@H]1[NH2+]CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)[C@H]1C ZINC000262828932 531132342 /nfs/dbraw/zinc/13/23/42/531132342.db2.gz UORDTCOUGZQADI-QWRGUYRKSA-N 1 0 382.258 1.383 20 0 GDADRO CN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000151111347 531133617 /nfs/dbraw/zinc/13/36/17/531133617.db2.gz RLSJQEHOPAYCBO-SNVBAGLBSA-N 1 0 390.303 1.263 20 0 GDADRO Cc1c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc(Br)cc1S(N)(=O)=O ZINC000262881830 531133676 /nfs/dbraw/zinc/13/36/76/531133676.db2.gz NNPRANKBZFMXFW-KWQFWETISA-N 1 0 390.303 1.275 20 0 GDADRO CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000262986987 531136267 /nfs/dbraw/zinc/13/62/67/531136267.db2.gz ZHGLXSSNOGJLSA-WDEREUQCSA-N 1 0 380.798 1.813 20 0 GDADRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000263298485 531141566 /nfs/dbraw/zinc/14/15/66/531141566.db2.gz WRNLEUCLMNXIAQ-RHSMWYFYSA-N 1 0 385.555 1.925 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cncc(I)c1 ZINC000152298715 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C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(I)c(F)cc1F ZINC000152596948 531154150 /nfs/dbraw/zinc/15/41/50/531154150.db2.gz DTLGFRJWILWRJF-CYBMUJFWSA-N 1 0 398.191 1.612 20 0 GDADRO C[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000263779443 531154357 /nfs/dbraw/zinc/15/43/57/531154357.db2.gz WAHDNWYAZAYAPK-UHFFFAOYSA-N 1 0 379.404 1.194 20 0 GDADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000263728151 531151919 /nfs/dbraw/zinc/15/19/19/531151919.db2.gz KXNLNUWYZKXKAB-CQSZACIVSA-N 1 0 389.543 1.235 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)COc1ccc(I)cc1)[NH+](C)C ZINC000152658013 531155332 /nfs/dbraw/zinc/15/53/32/531155332.db2.gz MAUFUHLHVNUGEL-CMPLNLGQSA-N 1 0 392.237 1.097 20 0 GDADRO C[NH+]1CCC(NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000263797333 531155498 /nfs/dbraw/zinc/15/54/98/531155498.db2.gz ZNQUGCWEFWKTJJ-UHFFFAOYSA-N 1 0 380.297 1.482 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000263875199 531158307 /nfs/dbraw/zinc/15/83/07/531158307.db2.gz 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C[C@@](O)(C[NH2+]Cc1cc(Br)cc2c1OCC2)CN1CCOCC1 ZINC000156053407 531203770 /nfs/dbraw/zinc/20/37/70/531203770.db2.gz OPOWRMUEVOQJLO-QGZVFWFLSA-N 1 0 385.302 1.557 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000156177343 531204242 /nfs/dbraw/zinc/20/42/42/531204242.db2.gz JSECINIMKIAHSB-VHSXEESVSA-N 1 0 391.287 1.591 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)[C@@H](C)C[NH2+]1 ZINC000156189325 531204289 /nfs/dbraw/zinc/20/42/89/531204289.db2.gz SPVWNRAYEINXJR-OLZOCXBDSA-N 1 0 387.571 1.824 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000156196683 531204382 /nfs/dbraw/zinc/20/43/82/531204382.db2.gz MXONMKAKXIDWSM-NXEZZACHSA-N 1 0 391.287 1.607 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CCO1 ZINC000156482686 531205098 /nfs/dbraw/zinc/20/50/98/531205098.db2.gz NBAXDQIEWVGGIP-KCJUWKMLSA-N 1 0 383.695 1.839 20 0 GDADRO O=C([C@@H]1CCCC[NH2+]1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000157420480 531206587 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387.889 1.281 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000521217373 531241290 /nfs/dbraw/zinc/24/12/90/531241290.db2.gz YCHVPULEIIJLQQ-SWLSCSKDSA-N 1 0 395.301 1.631 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1F ZINC000434571991 531245766 /nfs/dbraw/zinc/24/57/66/531245766.db2.gz DNSMZVGNULHOEJ-UHFFFAOYSA-N 1 0 395.232 1.880 20 0 GDADRO COc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Br ZINC000434702222 531246712 /nfs/dbraw/zinc/24/67/12/531246712.db2.gz JUPZXUVJKQUMQF-ZDUSSCGKSA-N 1 0 398.301 1.917 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000435172577 531256400 /nfs/dbraw/zinc/25/64/00/531256400.db2.gz GCUQGVGHLDNTGY-UHFFFAOYSA-N 1 0 376.548 1.366 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)C(C)(C)C ZINC000522617093 531256461 /nfs/dbraw/zinc/25/64/61/531256461.db2.gz NVVBHJQYUFOGIA-HUUCEWRRSA-N 1 0 376.567 1.466 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000435170926 531256635 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CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000290962277 531268043 /nfs/dbraw/zinc/26/80/43/531268043.db2.gz QDKGHHBODKZEOC-JTQLQIEISA-N 1 0 379.885 1.977 20 0 GDADRO Cc1nc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)ccc1I ZINC000410096368 531275582 /nfs/dbraw/zinc/27/55/82/531275582.db2.gz VGEJWPUIEXVTDZ-GFCCVEGCSA-N 1 0 386.237 1.323 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1F ZINC000474176283 531271508 /nfs/dbraw/zinc/27/15/08/531271508.db2.gz YWLMFDAKZYVGRF-RYUDHWBXSA-N 1 0 393.506 1.347 20 0 GDADRO CN(C)S(=O)(=O)CCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000291005807 531271741 /nfs/dbraw/zinc/27/17/41/531271741.db2.gz CHCXXHQZPORAHV-UHFFFAOYSA-N 1 0 390.937 1.305 20 0 GDADRO C[C@H]1[NH2+]CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@H]1C ZINC000436051564 531274192 /nfs/dbraw/zinc/27/41/92/531274192.db2.gz QFURBABPKSLYLE-OLZOCXBDSA-N 1 0 386.327 1.719 20 0 GDADRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000291334708 531285815 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GDADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc(Br)nc1 ZINC000277517841 531289482 /nfs/dbraw/zinc/28/94/82/531289482.db2.gz NSRUUTQMMOHEFT-ZDUSSCGKSA-N 1 0 381.274 1.916 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)c2sccc2S(=O)(=O)N(C)C)CCCO1 ZINC000277535603 531291619 /nfs/dbraw/zinc/29/16/19/531291619.db2.gz LTVWAMCHGAJWGS-ZDUSSCGKSA-N 1 0 389.543 1.229 20 0 GDADRO CCCCN(CCCC)S(=O)(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000525697872 531295898 /nfs/dbraw/zinc/29/58/98/531295898.db2.gz DYAMUMYKCVLLOE-GOSISDBHSA-N 1 0 376.611 1.995 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000277479562 531286355 /nfs/dbraw/zinc/28/63/55/531286355.db2.gz IVGUMRJOEARQIR-KOLCDFICSA-N 1 0 384.221 1.667 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000410994176 531299722 /nfs/dbraw/zinc/29/97/22/531299722.db2.gz ZRKYDCIMDNBPNJ-GDBMZVCRSA-N 1 0 394.313 1.960 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)CCc2ccccc2Br)CC1 ZINC000291636588 531303167 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20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H](C2CCCC2)C(F)(F)F)CCSC1 ZINC000411275720 531313718 /nfs/dbraw/zinc/31/37/18/531313718.db2.gz KZIPJGZQZCPBDK-IUODEOHRSA-N 1 0 381.464 1.777 20 0 GDADRO Cc1cnc(C(C)(C)[NH2+]CCC(=O)Nc2cccc(S(N)(=O)=O)c2)s1 ZINC000411519547 531326959 /nfs/dbraw/zinc/32/69/59/531326959.db2.gz NCRBAUPYNYITKS-UHFFFAOYSA-N 1 0 382.511 1.952 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000266217149 531326650 /nfs/dbraw/zinc/32/66/50/531326650.db2.gz RKBFWVHMTJZBTD-HNNXBMFYSA-N 1 0 386.539 1.587 20 0 GDADRO C[N@H+](CCN1CCOCC1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439459244 531322709 /nfs/dbraw/zinc/32/27/09/531322709.db2.gz VPHZTZISZBEVOZ-OAHLLOKOSA-N 1 0 391.281 1.592 20 0 GDADRO OC[C@H]1CSCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439460114 531322744 /nfs/dbraw/zinc/32/27/44/531322744.db2.gz IFJDEAFWTIEWPU-QWHCGFSZSA-N 1 0 380.279 1.738 20 0 GDADRO CC[C@H]1CN(C(=O)Cc2cc[nH]c(=O)c2Br)CC[N@@H+]1C[C@@H](C)O ZINC000277969411 531324028 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1.594 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(Br)c1 ZINC000440415502 531338319 /nfs/dbraw/zinc/33/83/19/531338319.db2.gz RLQUXICJSVJNLC-BXKDBHETSA-N 1 0 391.287 1.594 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(S(=O)(=O)NC)s1 ZINC000292157190 531338364 /nfs/dbraw/zinc/33/83/64/531338364.db2.gz ZGAVZTHZRVRIED-GFCCVEGCSA-N 1 0 376.548 1.576 20 0 GDADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000440427816 531338823 /nfs/dbraw/zinc/33/88/23/531338823.db2.gz GNQPOSINODHVBM-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292037189 531330168 /nfs/dbraw/zinc/33/01/68/531330168.db2.gz ABXZWHMMECYHDL-QWHCGFSZSA-N 1 0 397.324 1.699 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000278043916 531330334 /nfs/dbraw/zinc/33/03/34/531330334.db2.gz JQTYDKKMYSZPIQ-ZDUSSCGKSA-N 1 0 395.301 1.973 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000266246371 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NS(=O)(=O)c1ccc(C[NH2+]CCOCC(F)(F)F)cc1Br ZINC000414283294 531437628 /nfs/dbraw/zinc/43/76/28/531437628.db2.gz OYJLSDSVKOTKPQ-UHFFFAOYSA-N 1 0 391.209 1.765 20 0 GDADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)Nc1c(F)cc(F)cc1Br ZINC000447905324 531440367 /nfs/dbraw/zinc/44/03/67/531440367.db2.gz MACUREKGCXOYJV-NEPJUHHUSA-N 1 0 379.201 1.795 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cn1 ZINC000293739515 531440504 /nfs/dbraw/zinc/44/05/04/531440504.db2.gz HLKUODACZLASEG-UHFFFAOYSA-N 1 0 375.516 1.030 20 0 GDADRO Cc1nn(C)c(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1Br ZINC000447896956 531440606 /nfs/dbraw/zinc/44/06/06/531440606.db2.gz KMLKIPRVQZNMFB-UHFFFAOYSA-N 1 0 379.324 1.252 20 0 GDADRO O=C(NCCCCC[NH+]1CCCC1)c1nc2ncc(Br)cn2n1 ZINC000293845022 531447691 /nfs/dbraw/zinc/44/76/91/531447691.db2.gz FRSFSFDRWRMFGZ-UHFFFAOYSA-N 1 0 381.278 1.883 20 0 GDADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000360942893 531443464 /nfs/dbraw/zinc/44/34/64/531443464.db2.gz XZTDWRYGNJNJSO-OAHLLOKOSA-N 1 0 390.571 1.058 20 0 GDADRO CCC[C@@H](CCO)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414361819 531443768 /nfs/dbraw/zinc/44/37/68/531443768.db2.gz UCDDBQXVHJGISI-NSHDSACASA-N 1 0 379.320 1.985 20 0 GDADRO C[C@](O)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(F)(F)F ZINC000414368302 531444798 /nfs/dbraw/zinc/44/47/98/531444798.db2.gz RNOQZZQEQOMKPS-JTQLQIEISA-N 1 0 391.209 1.499 20 0 GDADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000486058592 531444886 /nfs/dbraw/zinc/44/48/86/531444886.db2.gz BEHOIAMWZUGIKP-UHOFOFEASA-N 1 0 375.462 1.700 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000448277088 531450789 /nfs/dbraw/zinc/45/07/89/531450789.db2.gz WJYJAXXFHZIIKS-JKSUJKDBSA-N 1 0 393.619 1.532 20 0 GDADRO C[NH+](C)CCN1C(=O)C[C@@H](N2CCc3c(F)ccc(Br)c3C2)C1=O ZINC000448555192 531455316 /nfs/dbraw/zinc/45/53/16/531455316.db2.gz KVRAYIVVYRMJKI-OAHLLOKOSA-N 1 0 398.276 1.635 20 0 GDADRO CC1(C)CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCS1 ZINC000279822773 531455538 /nfs/dbraw/zinc/45/55/38/531455538.db2.gz YUFBWKVTFUYYBM-UHFFFAOYSA-N 1 0 385.555 1.210 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1nc2ccc(Br)cn2n1 ZINC000414402398 531449040 /nfs/dbraw/zinc/44/90/40/531449040.db2.gz PHWIWKLOVZMMTB-GFCCVEGCSA-N 1 0 382.262 1.068 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1c(F)cc(C)cc1I ZINC000415305847 531473663 /nfs/dbraw/zinc/47/36/63/531473663.db2.gz KARBNEHKZXSCCC-UHFFFAOYSA-N 1 0 393.200 1.403 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)C1 ZINC000415303150 531473817 /nfs/dbraw/zinc/47/38/17/531473817.db2.gz RZKNLTIQQJHPNA-JTQLQIEISA-N 1 0 390.267 1.777 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)[C@@H]2C1 ZINC000540903945 531474087 /nfs/dbraw/zinc/47/40/87/531474087.db2.gz PCYBPMMZEHHHRN-IAQYHMDHSA-N 1 0 383.901 1.939 20 0 GDADRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280132240 531474526 /nfs/dbraw/zinc/47/45/26/531474526.db2.gz PCBSYOXJYCJFKX-GHMZBOCLSA-N 1 0 396.340 1.748 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)C1 ZINC000415316442 531474702 /nfs/dbraw/zinc/47/47/02/531474702.db2.gz JNLBEELLTFHVHS-SNVBAGLBSA-N 1 0 398.257 1.303 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1Cl ZINC000415316028 531474757 /nfs/dbraw/zinc/47/47/57/531474757.db2.gz IZHOURCOSMCIOJ-UHFFFAOYSA-N 1 0 390.267 1.779 20 0 GDADRO COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000449726582 531475063 /nfs/dbraw/zinc/47/50/63/531475063.db2.gz LLTSGCSYKCXUPC-GWCFXTLKSA-N 1 0 382.404 1.501 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 ZINC000449723269 531475293 /nfs/dbraw/zinc/47/52/93/531475293.db2.gz WYMOLCISTMKGDF-YPMHNXCESA-N 1 0 396.285 1.808 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccc(Br)cc1Cl ZINC000415335651 531476347 /nfs/dbraw/zinc/47/63/47/531476347.db2.gz UJKUZKMSRUANPC-UHFFFAOYSA-N 1 0 389.681 1.062 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415336613 531476552 /nfs/dbraw/zinc/47/65/52/531476552.db2.gz SOSQVLHIFHHRDA-QMMMGPOBSA-N 1 0 376.201 1.782 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@H]2CSCCS2)CC1 ZINC000267887093 531459573 /nfs/dbraw/zinc/45/95/73/531459573.db2.gz TYLHDZCNKKFKEG-OAHLLOKOSA-N 1 0 381.571 1.481 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1ccc(I)cc1C ZINC000414675180 531461712 /nfs/dbraw/zinc/46/17/12/531461712.db2.gz FKJXKIMMSFZRTR-UHFFFAOYSA-N 1 0 377.226 1.957 20 0 GDADRO Cc1ccc(Br)cc1CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000448933060 531462874 /nfs/dbraw/zinc/46/28/74/531462874.db2.gz NQBFDCXKJYFUPC-OAHLLOKOSA-N 1 0 382.302 1.756 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000486903927 531464114 /nfs/dbraw/zinc/46/41/14/531464114.db2.gz YJJDGHPXIQWMRL-UXIGCNINSA-N 1 0 380.286 1.646 20 0 GDADRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279979746 531464452 /nfs/dbraw/zinc/46/44/52/531464452.db2.gz DNPVNXHMLKNASC-IUCAKERBSA-N 1 0 380.297 1.912 20 0 GDADRO Brc1cnc(CNCCN2CC[NH2+]CC2)c(Br)c1 ZINC000414863747 531464790 /nfs/dbraw/zinc/46/47/90/531464790.db2.gz IWXGFGNJKAPKEC-UHFFFAOYSA-N 1 0 378.112 1.601 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2CCC([NH3+])CC2)c1 ZINC000415262336 531468968 /nfs/dbraw/zinc/46/89/68/531468968.db2.gz GBLAHETVTQNBNC-UHFFFAOYSA-N 1 0 387.221 1.488 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000268047129 531469787 /nfs/dbraw/zinc/46/97/87/531469787.db2.gz ZXPDLUMAIBZDKE-CYBMUJFWSA-N 1 0 375.466 1.284 20 0 GDADRO COC(=O)COC[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000449310127 531470452 /nfs/dbraw/zinc/47/04/52/531470452.db2.gz GKHBGZJOAZKJPL-SNVBAGLBSA-N 1 0 383.388 1.777 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415267589 531470480 /nfs/dbraw/zinc/47/04/80/531470480.db2.gz IMURGTTZIGZXAW-NSHDSACASA-N 1 0 377.242 1.886 20 0 GDADRO NC(=O)[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Br)c1 ZINC000280070044 531471049 /nfs/dbraw/zinc/47/10/49/531471049.db2.gz XONSMKCEBYBXLH-SOUVJXGZSA-N 1 0 395.301 1.902 20 0 GDADRO C[NH+](C)CCn1nnnc1S[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000539631193 531471033 /nfs/dbraw/zinc/47/10/33/531471033.db2.gz VYNSDNJHWRFVKF-CYBMUJFWSA-N 1 0 384.868 1.925 20 0 GDADRO O=C(Nc1ccnn1Cc1ccccc1Br)C(=O)N1CC[NH2+]CC1 ZINC000415282245 531471153 /nfs/dbraw/zinc/47/11/53/531471153.db2.gz PWNAYOFECALCHR-UHFFFAOYSA-N 1 0 392.257 1.064 20 0 GDADRO O=C(Nc1cc(Cl)ccc1I)C(=O)N1CC[NH2+]CC1 ZINC000415283131 531471348 /nfs/dbraw/zinc/47/13/48/531471348.db2.gz MLTXILFAHDAZOX-UHFFFAOYSA-N 1 0 393.612 1.315 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000415285615 531471492 /nfs/dbraw/zinc/47/14/92/531471492.db2.gz RYWDMRLVQFPTEM-UHFFFAOYSA-N 1 0 383.290 1.108 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000294434303 531478898 /nfs/dbraw/zinc/47/88/98/531478898.db2.gz UYMKEAIHCXYEFL-BBBLOLIVSA-N 1 0 383.297 1.831 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000415359885 531479052 /nfs/dbraw/zinc/47/90/52/531479052.db2.gz LFTLCSWLFALMAD-LLVKDONJSA-N 1 0 398.257 1.385 20 0 GDADRO O=C(Nc1cncc(Br)c1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000415361325 531479083 /nfs/dbraw/zinc/47/90/83/531479083.db2.gz ZIIHHVZQXXDGJJ-HIFRSBDPSA-N 1 0 396.289 1.612 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000415361646 531479303 /nfs/dbraw/zinc/47/93/03/531479303.db2.gz UMNZKDBJFJOIAM-QWRGUYRKSA-N 1 0 384.274 1.901 20 0 GDADRO CCOc1cc(Br)c(NC(=O)C(=O)NCC[NH2+]C)cc1OCC ZINC000415366373 531479970 /nfs/dbraw/zinc/47/99/70/531479970.db2.gz YDGJUSBBMARNBD-UHFFFAOYSA-N 1 0 388.262 1.521 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccccc2I)C1 ZINC000415366902 531480045 /nfs/dbraw/zinc/48/00/45/531480045.db2.gz XKFASHOYZLQBTQ-JTQLQIEISA-N 1 0 387.221 1.440 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000415366354 531480056 /nfs/dbraw/zinc/48/00/56/531480056.db2.gz YALMPMYFCLNHGK-JTQLQIEISA-N 1 0 389.193 1.643 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415369187 531480127 /nfs/dbraw/zinc/48/01/27/531480127.db2.gz OQAYXBYSPXMXGB-UHFFFAOYSA-N 1 0 384.267 1.902 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000415376757 531480721 /nfs/dbraw/zinc/48/07/21/531480721.db2.gz LMATTWBZKMIQMG-SNVBAGLBSA-N 1 0 383.239 1.381 20 0 GDADRO C[C@H](Sc1ccccn1)C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000268165535 531480780 /nfs/dbraw/zinc/48/07/80/531480780.db2.gz IZIFKSSLDIXRES-LSDHHAIUSA-N 1 0 385.555 1.530 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415383105 531481817 /nfs/dbraw/zinc/48/18/17/531481817.db2.gz SUAHFBNZWCDXBE-JTQLQIEISA-N 1 0 377.242 1.804 20 0 GDADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363370562 531482768 /nfs/dbraw/zinc/48/27/68/531482768.db2.gz LBQZGLLPVHXXBQ-HUUCEWRRSA-N 1 0 378.416 1.988 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc(I)c1 ZINC000415406510 531483093 /nfs/dbraw/zinc/48/30/93/531483093.db2.gz DPNYXGDJGLHQEC-SECBINFHSA-N 1 0 375.210 1.201 20 0 GDADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COC1CCOCC1 ZINC000488231655 531483662 /nfs/dbraw/zinc/48/36/62/531483662.db2.gz NNPBKCMZICIEDJ-INIZCTEOSA-N 1 0 388.302 1.800 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415550729 531493626 /nfs/dbraw/zinc/49/36/26/531493626.db2.gz CPRZYTNJGKTDDA-JGVFFNPUSA-N 1 0 376.201 1.875 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363397690 531484330 /nfs/dbraw/zinc/48/43/30/531484330.db2.gz VCRLQIZOYCDMAQ-WFASDCNBSA-N 1 0 385.306 1.966 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415415343 531484313 /nfs/dbraw/zinc/48/43/13/531484313.db2.gz QHVNOCHZVKETFG-NSHDSACASA-N 1 0 385.306 1.421 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415415928 531484468 /nfs/dbraw/zinc/48/44/68/531484468.db2.gz MNSQSFCLVFXORF-SNVBAGLBSA-N 1 0 379.258 1.908 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c(C)cc1Br ZINC000415430790 531485103 /nfs/dbraw/zinc/48/51/03/531485103.db2.gz JYXRJCQVNLRNJH-SNVBAGLBSA-N 1 0 398.257 1.303 20 0 GDADRO C[NH+](C)CC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000363441954 531485242 /nfs/dbraw/zinc/48/52/42/531485242.db2.gz KZQOQTUTEGYSLX-OAHLLOKOSA-N 1 0 385.555 1.701 20 0 GDADRO CCOCCOc1ccc(Br)cc1NC(=O)N(C)C[C@H](O)C[NH3+] ZINC000415439281 531486054 /nfs/dbraw/zinc/48/60/54/531486054.db2.gz DSIPYYMCIJDTJK-GFCCVEGCSA-N 1 0 390.278 1.648 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415438109 531486113 /nfs/dbraw/zinc/48/61/13/531486113.db2.gz LPUVKURCXUUVCT-NSHDSACASA-N 1 0 386.246 1.274 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415437566 531486223 /nfs/dbraw/zinc/48/62/23/531486223.db2.gz CMQOUPGICUODAX-UFBFGSQYSA-N 1 0 388.251 1.914 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000450338515 531493494 /nfs/dbraw/zinc/49/34/94/531493494.db2.gz YEDHJQIFFULNDM-HNNXBMFYSA-N 1 0 382.262 1.072 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415549459 531493480 /nfs/dbraw/zinc/49/34/80/531493480.db2.gz GYMFQZWRTGBYPK-ZETCQYMHSA-N 1 0 390.209 1.167 20 0 GDADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415449723 531486957 /nfs/dbraw/zinc/48/69/57/531486957.db2.gz LGMBODKFXHBQKD-UHFFFAOYSA-N 1 0 381.274 1.773 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(I)cc2Cl)C1 ZINC000545153992 531489234 /nfs/dbraw/zinc/48/92/34/531489234.db2.gz CPDAJVLWLOGHTC-CYBMUJFWSA-N 1 0 394.640 1.741 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(I)cc1 ZINC000415481584 531489678 /nfs/dbraw/zinc/48/96/78/531489678.db2.gz BFFXAHXSWKVVJO-GFCCVEGCSA-N 1 0 387.221 1.440 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(Cl)ccc1S(=O)(=O)CC ZINC000415499877 531490587 /nfs/dbraw/zinc/49/05/87/531490587.db2.gz VLAOCEIARDTWQL-UHFFFAOYSA-N 1 0 389.905 1.706 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)C[C@@H](C)O1 ZINC000450256941 531490890 /nfs/dbraw/zinc/49/08/90/531490890.db2.gz SGRGXELDIJKKLM-RBSFLKMASA-N 1 0 381.489 1.393 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1C(=O)OC ZINC000415500122 531490926 /nfs/dbraw/zinc/49/09/26/531490926.db2.gz SLZUYWKUATYPBY-LLVKDONJSA-N 1 0 398.257 1.385 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000415494375 531491079 /nfs/dbraw/zinc/49/10/79/531491079.db2.gz ZJJCPVURPSFKBE-CYBMUJFWSA-N 1 0 382.917 1.781 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(C)cc1OC ZINC000415505919 531491093 /nfs/dbraw/zinc/49/10/93/531491093.db2.gz ZROBOKHAHBGSMI-NSHDSACASA-N 1 0 384.274 1.915 20 0 GDADRO CCS(=O)(=O)c1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000450271034 531491753 /nfs/dbraw/zinc/49/17/53/531491753.db2.gz OUHOPJOFRLBXKC-MRXNPFEDSA-N 1 0 388.555 1.774 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ncnc2cc(Br)ccc21 ZINC000450326753 531492521 /nfs/dbraw/zinc/49/25/21/531492521.db2.gz ZNQYGRHXASLKHC-CQSZACIVSA-N 1 0 378.274 2.144 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC[NH2+]1 ZINC000415659486 531510583 /nfs/dbraw/zinc/51/05/83/531510583.db2.gz AEJKMZIUOOQFFK-CBAPKCEASA-N 1 0 376.201 1.923 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[NH2+]1 ZINC000415660900 531510643 /nfs/dbraw/zinc/51/06/43/531510643.db2.gz OJFRDILMZGBMHK-JGVFFNPUSA-N 1 0 376.201 1.923 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415662374 531510806 /nfs/dbraw/zinc/51/08/06/531510806.db2.gz RJQVSMFEAIUWKR-BXKDBHETSA-N 1 0 387.221 1.344 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1ccc(I)cc1F ZINC000295011719 531514043 /nfs/dbraw/zinc/51/40/43/531514043.db2.gz PKDMWSLXCXRONN-UHFFFAOYSA-N 1 0 380.201 1.474 20 0 GDADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)Cc1cscc1Br ZINC000295008631 531514161 /nfs/dbraw/zinc/51/41/61/531514161.db2.gz PKNYXJMCYHOMKJ-GFCCVEGCSA-N 1 0 377.304 1.205 20 0 GDADRO O=C(Cc1ccc(Br)cc1O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000548732932 531514531 /nfs/dbraw/zinc/51/45/31/531514531.db2.gz PQDGVTDMVWIARJ-CYBMUJFWSA-N 1 0 383.286 1.878 20 0 GDADRO CSC1(C[NH+]2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000581752859 531514964 /nfs/dbraw/zinc/51/49/64/531514964.db2.gz WZRBLNGEPPCLPO-UHFFFAOYSA-N 1 0 383.583 1.787 20 0 GDADRO Cc1cc(Br)c(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000489987153 531515718 /nfs/dbraw/zinc/51/57/18/531515718.db2.gz HFAPLLNJJLAKHZ-NSHDSACASA-N 1 0 394.360 1.487 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2c(F)cccc2Br)CCC[NH2+]1 ZINC000415709723 531516821 /nfs/dbraw/zinc/51/68/21/531516821.db2.gz QBXCQIUZUFINHO-OAHLLOKOSA-N 1 0 388.237 1.412 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2c(C)cc(Br)cc2C)CCC[NH2+]1 ZINC000415715965 531518530 /nfs/dbraw/zinc/51/85/30/531518530.db2.gz ZPZYOZQVSYZHIJ-QGZVFWFLSA-N 1 0 398.301 1.889 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000415551552 531493759 /nfs/dbraw/zinc/49/37/59/531493759.db2.gz ORULIMAANCIAPT-UHFFFAOYSA-N 1 0 396.285 1.998 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000415712257 531518721 /nfs/dbraw/zinc/51/87/21/531518721.db2.gz QSFSVUHUPQKLTB-ZDUSSCGKSA-N 1 0 395.301 1.202 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1Br ZINC000415557566 531494526 /nfs/dbraw/zinc/49/45/26/531494526.db2.gz JEAHPKUOLFGQTL-WDEREUQCSA-N 1 0 384.274 1.995 20 0 GDADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000489178931 531495170 /nfs/dbraw/zinc/49/51/70/531495170.db2.gz BGXWSKSRVWDIIM-LSDHHAIUSA-N 1 0 377.551 1.052 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NCCCC[NH3+] ZINC000415564496 531495337 /nfs/dbraw/zinc/49/53/37/531495337.db2.gz LABZGLTVSHVTNW-UHFFFAOYSA-N 1 0 375.210 1.393 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415565271 531495472 /nfs/dbraw/zinc/49/54/72/531495472.db2.gz OTJLIIBHTAXMFE-IUCAKERBSA-N 1 0 388.251 1.927 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415561947 531495557 /nfs/dbraw/zinc/49/55/57/531495557.db2.gz WVORNYORAOSZJB-MRVPVSSYSA-N 1 0 376.226 1.779 20 0 GDADRO C[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000556380602 531495663 /nfs/dbraw/zinc/49/56/63/531495663.db2.gz IANXXOGDCKZRFJ-NWDGAFQWSA-N 1 0 389.905 1.374 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415573984 531496453 /nfs/dbraw/zinc/49/64/53/531496453.db2.gz VZRIIYJDAANXDR-ZJUUUORDSA-N 1 0 398.257 1.383 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415568406 531497599 /nfs/dbraw/zinc/49/75/99/531497599.db2.gz QVCHHLKCAQWNJR-JGVFFNPUSA-N 1 0 376.201 1.875 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)Nc3nc(CC(F)(F)F)cs3)C[C@H]21 ZINC000415588280 531498200 /nfs/dbraw/zinc/49/82/00/531498200.db2.gz XPLQYYPBDCUPHN-FBIMIBRVSA-N 1 0 376.404 1.772 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415717720 531518931 /nfs/dbraw/zinc/51/89/31/531518931.db2.gz YZXOMVWJFFZHAV-ZDUSSCGKSA-N 1 0 395.301 1.202 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c1OC ZINC000581607024 531502610 /nfs/dbraw/zinc/50/26/10/531502610.db2.gz BHIHRJQCAQQMIO-JTQLQIEISA-N 1 0 390.889 1.883 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415624260 531505088 /nfs/dbraw/zinc/50/50/88/531505088.db2.gz KEFBZSXKFAQTIK-LLVKDONJSA-N 1 0 381.274 1.918 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000581656226 531506635 /nfs/dbraw/zinc/50/66/35/531506635.db2.gz FDUARFSAEYOJLP-SWLSCSKDSA-N 1 0 386.905 1.012 20 0 GDADRO CCOC(=O)c1nc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)sc1C(C)=O ZINC000415632232 531507162 /nfs/dbraw/zinc/50/71/62/531507162.db2.gz OGYHGFHWHYQYBE-MRVPVSSYSA-N 1 0 376.385 1.641 20 0 GDADRO COC(=O)Cn1cc(C[NH2+]C[C@@H](C)Oc2ccc(Br)cc2)nn1 ZINC000294927728 531507930 /nfs/dbraw/zinc/50/79/30/531507930.db2.gz BCKKWYXKKZZXEH-LLVKDONJSA-N 1 0 383.246 1.771 20 0 GDADRO 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REEPXELEFRVWJJ-ZDUSSCGKSA-N 1 0 385.306 1.900 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000415751976 531525031 /nfs/dbraw/zinc/52/50/31/531525031.db2.gz CKXPNDMRASUBSF-TXEJJXNPSA-N 1 0 396.285 1.854 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415759733 531525869 /nfs/dbraw/zinc/52/58/69/531525869.db2.gz FJEHPORENHBQCV-ZYHUDNBSSA-N 1 0 382.258 1.607 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582004602 531526655 /nfs/dbraw/zinc/52/66/55/531526655.db2.gz WTWFBWBKFZPQJB-CXAGYDPISA-N 1 0 385.917 1.609 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1cc(F)c(I)c(F)c1)[C@H](C)[NH3+] ZINC000415781713 531528347 /nfs/dbraw/zinc/52/83/47/531528347.db2.gz JZCNWDCAMXTZOX-NTSWFWBYSA-N 1 0 397.163 1.360 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2Br)C1 ZINC000658779545 531528739 /nfs/dbraw/zinc/52/87/39/531528739.db2.gz QZBSTLACYOBHIG-NSHDSACASA-N 1 0 384.274 1.997 20 0 GDADRO 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389.905 1.217 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)cc1Cl ZINC000416462753 531627350 /nfs/dbraw/zinc/62/73/50/531627350.db2.gz SEYOJVJWZQDIOK-UHFFFAOYSA-N 1 0 378.878 1.092 20 0 GDADRO Cn1ccnc1[C@@H]1N(C(=O)CCNS(=O)(=O)c2cccs2)CC1(C)C ZINC000295884244 531632787 /nfs/dbraw/zinc/63/27/87/531632787.db2.gz MGYQQAYSSFRGPN-AWEZNQCLSA-N 1 0 382.511 1.760 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1 ZINC000281542005 531631442 /nfs/dbraw/zinc/63/14/42/531631442.db2.gz SASUWFIUVZABRC-CQSZACIVSA-N 1 0 389.543 1.131 20 0 GDADRO Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)C(C)(C)CO ZINC000295871868 531632211 /nfs/dbraw/zinc/63/22/11/531632211.db2.gz YXCTXVIEJHVDGP-ZDUSSCGKSA-N 1 0 377.388 1.876 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC1 ZINC000281559052 531632701 /nfs/dbraw/zinc/63/27/01/531632701.db2.gz UHEJLRZLWMRVMA-UHFFFAOYSA-N 1 0 384.267 1.761 20 0 GDADRO [NH3+][C@H](CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)C1CC1 ZINC000638151555 531644679 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20 0 GDADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CSc1nnc(SCC(N)=O)s1 ZINC000588686780 531658189 /nfs/dbraw/zinc/65/81/89/531658189.db2.gz BQVIWMDYFUAMAY-GFCCVEGCSA-N 1 0 384.552 1.701 20 0 GDADRO CC(C)[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)c1ncc[nH]1 ZINC000296137249 531658561 /nfs/dbraw/zinc/65/85/61/531658561.db2.gz SOVCWZPAMRHDEV-CQSZACIVSA-N 1 0 386.499 1.336 20 0 GDADRO CN(CCNC(=O)NCC1([NH+](C)C)CCCC1)S(=O)(=O)c1cccs1 ZINC000269379992 531658717 /nfs/dbraw/zinc/65/87/17/531658717.db2.gz XELVDNBVFZQFFQ-UHFFFAOYSA-N 1 0 388.559 1.542 20 0 GDADRO O=S(=O)(N[C@H]1CCCN(CCCO)C1)c1ccccc1Br ZINC000451665275 531660092 /nfs/dbraw/zinc/66/00/92/531660092.db2.gz DIIKCDWDLTVDCX-LBPRGKRZSA-N 1 0 377.304 1.574 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638620435 531662089 /nfs/dbraw/zinc/66/20/89/531662089.db2.gz QUPFLNGNQYTIJS-KGLIPLIRSA-N 1 0 386.539 1.456 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000661947486 531662631 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GDADRO O=C(CS(=O)(=O)Cc1ccc(Br)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638923250 531675243 /nfs/dbraw/zinc/67/52/43/531675243.db2.gz RVHONNYMZLKKAH-OKILXGFUSA-N 1 0 387.299 1.327 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000638937092 531676833 /nfs/dbraw/zinc/67/68/33/531676833.db2.gz GPSOKWQASLNWIG-PWSUYJOCSA-N 1 0 390.303 1.018 20 0 GDADRO CN1CCN(C(=O)c2cc(-c3ccc(Br)cc3)no2)[C@H](C[NH3+])C1 ZINC000662427701 531678090 /nfs/dbraw/zinc/67/80/90/531678090.db2.gz AULQDLVUIKXJNI-CYBMUJFWSA-N 1 0 379.258 1.819 20 0 GDADRO C[C@@H]1CN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC[NH2+]1 ZINC000662418493 531678119 /nfs/dbraw/zinc/67/81/19/531678119.db2.gz RPKLWIAVGNHVJS-GFCCVEGCSA-N 1 0 393.285 1.340 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000638946666 531678604 /nfs/dbraw/zinc/67/86/04/531678604.db2.gz ZTJIAXWAYGGNCP-KKUMJFAQSA-N 1 0 385.555 1.843 20 0 GDADRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000662445933 531679298 /nfs/dbraw/zinc/67/92/98/531679298.db2.gz UPSOMURMUDQTKF-ZDUSSCGKSA-N 1 0 391.946 1.623 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCc1ccc(Br)cc1 ZINC000618306773 531682114 /nfs/dbraw/zinc/68/21/14/531682114.db2.gz IJABSKXXARAXES-UHFFFAOYSA-N 1 0 384.318 1.860 20 0 GDADRO C[N@H+](CCCn1ccnc1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639175306 531683853 /nfs/dbraw/zinc/68/38/53/531683853.db2.gz MBBIWDGQZDVOES-UHFFFAOYSA-N 1 0 387.303 1.815 20 0 GDADRO CO[C@H](C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1CCOC1 ZINC000639173272 531684715 /nfs/dbraw/zinc/68/47/15/531684715.db2.gz RHFYITSUHKVVLH-WCQYABFASA-N 1 0 397.324 1.913 20 0 GDADRO COC[C@@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)OCCc2ccccc21 ZINC000639189992 531685813 /nfs/dbraw/zinc/68/58/13/531685813.db2.gz XALHNSLEMVQYCL-QGZVFWFLSA-N 1 0 382.507 1.600 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cn2ccc(Br)cc2n1 ZINC000296379697 531687352 /nfs/dbraw/zinc/68/73/52/531687352.db2.gz HRRISPKNEWLVOM-CYBMUJFWSA-N 1 0 381.274 1.673 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CC[N@@H+](C2CC2)C1 ZINC000296368618 531688096 /nfs/dbraw/zinc/68/80/96/531688096.db2.gz WBCWIYLYXZWQPX-NSHDSACASA-N 1 0 381.274 1.725 20 0 GDADRO O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)N1 ZINC000639616858 531696832 /nfs/dbraw/zinc/69/68/32/531696832.db2.gz GLTQYSIPFSYOLA-BLLLJJGKSA-N 1 0 388.251 1.407 20 0 GDADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662789323 531697063 /nfs/dbraw/zinc/69/70/63/531697063.db2.gz WTNCCGVUWUSAAP-NSHDSACASA-N 1 0 379.507 1.874 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(I)c[nH]1 ZINC000269609866 531697938 /nfs/dbraw/zinc/69/79/38/531697938.db2.gz QVBPUGKVCGVQNN-LLVKDONJSA-N 1 0 377.226 1.196 20 0 GDADRO C[C@@](CO)([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(Br)cc1 ZINC000639639725 531699757 /nfs/dbraw/zinc/69/97/57/531699757.db2.gz VHEQNVPVIAENIR-CVEARBPZSA-N 1 0 388.302 1.539 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662919274 531700355 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GDADRO C[C@H](C(=O)NCC1([NH3+])CCCC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000662650291 531692003 /nfs/dbraw/zinc/69/20/03/531692003.db2.gz YPTIYZFDPOQKNH-SNVBAGLBSA-N 1 0 394.269 1.821 20 0 GDADRO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000662916464 531700526 /nfs/dbraw/zinc/70/05/26/531700526.db2.gz UMJKALMBNMAXJB-YOEHRIQHSA-N 1 0 397.317 1.837 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC000296523618 531701216 /nfs/dbraw/zinc/70/12/16/531701216.db2.gz SEWMXWAQOVNONK-CYBMUJFWSA-N 1 0 394.278 1.805 20 0 GDADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000451881949 531703205 /nfs/dbraw/zinc/70/32/05/531703205.db2.gz BZFPTYPFQWGIAS-UHFFFAOYSA-N 1 0 380.507 1.628 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000662963478 531704608 /nfs/dbraw/zinc/70/46/08/531704608.db2.gz PYHUUSKEUVDMEU-QWRGUYRKSA-N 1 0 377.304 1.583 20 0 GDADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000296569667 531704909 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COc1cc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)ccc1Br ZINC000269777559 531754694 /nfs/dbraw/zinc/75/46/94/531754694.db2.gz OFDXZMOLESSJQK-UHFFFAOYSA-N 1 0 393.303 1.193 20 0 GDADRO O=C(NCc1cc(F)ccc1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417175453 531756092 /nfs/dbraw/zinc/75/60/92/531756092.db2.gz IFJRRIPNDVMMIU-CQSZACIVSA-N 1 0 385.281 1.777 20 0 GDADRO CCN(C(=O)C[NH2+][C@H](C)[C@H]1OCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000366532553 531756440 /nfs/dbraw/zinc/75/64/40/531756440.db2.gz CTCRYYCXVLZCRS-PBFPGSCMSA-N 1 0 386.539 1.376 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417204329 531757272 /nfs/dbraw/zinc/75/72/72/531757272.db2.gz FIISQEOGXPAGSP-GFCCVEGCSA-N 1 0 385.306 1.996 20 0 GDADRO O=C([C@H]1CCCN1[C@@H]1CCCN(CC(F)(F)F)C1=O)N1CCSCC1 ZINC000562501765 531758486 /nfs/dbraw/zinc/75/84/86/531758486.db2.gz AJPARVKBWPSVKO-CHWSQXEVSA-N 1 0 379.448 1.580 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000508041393 531758723 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378.270 1.242 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(I)cc2)CO1 ZINC000592363219 531781565 /nfs/dbraw/zinc/78/15/65/531781565.db2.gz SVUGTDAHKMKVSG-WXHSDQCUSA-N 1 0 377.222 1.798 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417581235 531781669 /nfs/dbraw/zinc/78/16/69/531781669.db2.gz FOZPURNTOFCHCM-UHFFFAOYSA-N 1 0 397.317 1.929 20 0 GDADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3cncc(Br)c3)nn2)n1 ZINC000641161815 531782085 /nfs/dbraw/zinc/78/20/85/531782085.db2.gz MUCKVCDBYKWHHE-UHFFFAOYSA-N 1 0 376.262 1.838 20 0 GDADRO O=S(=O)(NC[C@@H]1CCCC[NH2+]1)c1cccc(I)c1 ZINC000592367337 531782321 /nfs/dbraw/zinc/78/23/21/531782321.db2.gz PWNUMYJZRXJFPE-NSHDSACASA-N 1 0 380.251 1.712 20 0 GDADRO CCOC(=O)c1sc2ncc(S(=O)(=O)N3CC[C@H](C[NH3+])C3)cc2c1C ZINC000592367036 531782504 /nfs/dbraw/zinc/78/25/04/531782504.db2.gz MFLQNWCSWDFBSD-LLVKDONJSA-N 1 0 383.495 1.751 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417590257 531782627 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C[C@@H]1[NH2+]CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)[C@H]1C ZINC000417432301 531769884 /nfs/dbraw/zinc/76/98/84/531769884.db2.gz LRKXXULBMAISGS-RYUDHWBXSA-N 1 0 383.290 1.571 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000562841716 531783114 /nfs/dbraw/zinc/78/31/14/531783114.db2.gz QFNPHDDGMTVANG-WMLDXEAASA-N 1 0 386.539 1.633 20 0 GDADRO O=C(NCCc1ccc(I)s1)N[C@H]1CCC[NH2+]C1 ZINC000417439235 531771016 /nfs/dbraw/zinc/77/10/16/531771016.db2.gz LERIFGCYYXMUJJ-VIFPVBQESA-N 1 0 379.267 1.946 20 0 GDADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000592198547 531771804 /nfs/dbraw/zinc/77/18/04/531771804.db2.gz RRLGEYGFEXWJHV-BXUZGUMPSA-N 1 0 385.258 1.634 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417439764 531771974 /nfs/dbraw/zinc/77/19/74/531771974.db2.gz WQFUYSRLEWZOPG-DOMZBBRYSA-N 1 0 397.317 1.866 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(I)c[nH]1 ZINC000452350131 531772193 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C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000297277682 531776251 /nfs/dbraw/zinc/77/62/51/531776251.db2.gz BLBTZNMEJHFEPB-VXGBXAGGSA-N 1 0 389.568 1.437 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N[C@H](C)[C@@H](C)[NH3+])s1 ZINC000417516563 531777839 /nfs/dbraw/zinc/77/78/39/531777839.db2.gz OADXOEJNACJYBD-VXGBXAGGSA-N 1 0 376.548 1.356 20 0 GDADRO COc1cc(Cn2cc([C@H]([NH3+])C3CCOCC3)nn2)c(Br)cn1 ZINC000641104039 531777796 /nfs/dbraw/zinc/77/77/96/531777796.db2.gz QKIIWQAZTMZRBR-OAHLLOKOSA-N 1 0 382.262 1.919 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N[C@@H](C)CC[NH3+])s1 ZINC000417499568 531777893 /nfs/dbraw/zinc/77/78/93/531777893.db2.gz FIQPJDONLXQMEH-LBPRGKRZSA-N 1 0 376.548 1.358 20 0 GDADRO O=C(NCc1cn(Cc2cscc2Br)nn1)C1CC[NH2+]CC1 ZINC000641128017 531779986 /nfs/dbraw/zinc/77/99/86/531779986.db2.gz GWUFNBLRJVGHJE-UHFFFAOYSA-N 1 0 384.303 1.766 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cs1 ZINC000297333424 531783296 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COC[C@H]([NH3+])Cc1cn(C[C@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000641206281 531787299 /nfs/dbraw/zinc/78/72/99/531787299.db2.gz RIYHLIGDXDFUOD-PWSUYJOCSA-N 1 0 375.256 1.541 20 0 GDADRO [NH3+][C@@H](CNC(=O)NCc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000417909004 531789136 /nfs/dbraw/zinc/78/91/36/531789136.db2.gz JGBWWLUXWAXCJR-HNNXBMFYSA-N 1 0 397.317 1.822 20 0 GDADRO CC[NH2+]CCNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417908099 531789748 /nfs/dbraw/zinc/78/97/48/531789748.db2.gz IDHKBDYNTMQGFI-UHFFFAOYSA-N 1 0 385.306 1.694 20 0 GDADRO C[NH+](C)C1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC000623018748 531790541 /nfs/dbraw/zinc/79/05/41/531790541.db2.gz URMHQSJSONQJAH-UHFFFAOYSA-N 1 0 379.262 1.591 20 0 GDADRO CC[NH+]1CCN(CCNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC000592455846 531791214 /nfs/dbraw/zinc/79/12/14/531791214.db2.gz XQVQIKZOHNXTRN-UHFFFAOYSA-N 1 0 380.436 1.402 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000562949744 531791279 /nfs/dbraw/zinc/79/12/79/531791279.db2.gz 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Cc1cc(N2CC[C@@H](NC(=O)NC[C@H](C)C[NH3+])C2=O)ccc1Br ZINC000418015117 531797027 /nfs/dbraw/zinc/79/70/27/531797027.db2.gz PKEZLMAUPXGXLS-QMTHXVAHSA-N 1 0 383.290 1.757 20 0 GDADRO CC(C)[C@@]1(C)C[C@H]1[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000563000421 531797034 /nfs/dbraw/zinc/79/70/34/531797034.db2.gz LVGCJGRDOICYMV-IAGOWNOFSA-N 1 0 388.555 1.735 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])C2=O)ccc1Br ZINC000418014035 531797540 /nfs/dbraw/zinc/79/75/40/531797540.db2.gz NSYLSZFHWGFXTB-FZMZJTMJSA-N 1 0 383.290 1.851 20 0 GDADRO O=C(c1nc(C2CC2)ncc1Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000623062293 531798147 /nfs/dbraw/zinc/79/81/47/531798147.db2.gz ODDFGGFHNFMYPR-GFCCVEGCSA-N 1 0 380.290 1.236 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N(CC[NH3+])CCc2ccccc2)s1 ZINC000418062578 531798731 /nfs/dbraw/zinc/79/87/31/531798731.db2.gz FRVNGUMAJLLJAT-UHFFFAOYSA-N 1 0 381.523 1.865 20 0 GDADRO Cn1cc(I)c(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000418271346 531818406 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COc1cc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)ccc1Cl ZINC000623414063 531814860 /nfs/dbraw/zinc/81/48/60/531814860.db2.gz RTPZJKCMZLUDJT-CQSZACIVSA-N 1 0 376.906 1.927 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CCO1 ZINC000669581074 531815760 /nfs/dbraw/zinc/81/57/60/531815760.db2.gz FOWPZJDVIYPUMB-ORUWWINDSA-N 1 0 388.237 1.779 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000418205517 531816130 /nfs/dbraw/zinc/81/61/30/531816130.db2.gz NFNAGVGTUBYBGQ-UONOGXRCSA-N 1 0 388.559 1.718 20 0 GDADRO O=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000669583988 531816233 /nfs/dbraw/zinc/81/62/33/531816233.db2.gz GBUUGZLOFVBOGI-KGLIPLIRSA-N 1 0 386.543 1.200 20 0 GDADRO CC(C)([NH3+])CNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000418414145 531825078 /nfs/dbraw/zinc/82/50/78/531825078.db2.gz KXSJZTRXTPEMJM-UHFFFAOYSA-N 1 0 383.290 1.654 20 0 GDADRO C[NH2+]C[C@@](C)(O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000563270798 531825443 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COc1ncc(Br)cc1CNC(=O)NCCN1CCSCC1 ZINC000623708350 531820978 /nfs/dbraw/zinc/82/09/78/531820978.db2.gz GFHQSEIBSAMCTF-UHFFFAOYSA-N 1 0 389.319 1.701 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418349716 531821364 /nfs/dbraw/zinc/82/13/64/531821364.db2.gz XUNDGNNGGSIDEA-HUUCEWRRSA-N 1 0 384.318 1.899 20 0 GDADRO C[NH2+]CCNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000418331649 531821773 /nfs/dbraw/zinc/82/17/73/531821773.db2.gz QDILIXOQJLWDNB-UHFFFAOYSA-N 1 0 389.283 1.445 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000297922848 531833130 /nfs/dbraw/zinc/83/31/30/531833130.db2.gz QIOXZTHKNYPMFY-HNNXBMFYSA-N 1 0 382.302 1.960 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000563414563 531833139 /nfs/dbraw/zinc/83/31/39/531833139.db2.gz UIJCUFONQAEGFB-IUODEOHRSA-N 1 0 388.237 1.388 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=O)N[C@H](C)[C@@H](C)[NH3+])cc1Br ZINC000418697181 531833982 /nfs/dbraw/zinc/83/39/82/531833982.db2.gz LNGZQYNABBNBIB-WZRBSPASSA-N 1 0 388.306 1.644 20 0 GDADRO COCC[N@H+](C)C[C@H](O)Cn1cnc2cc(F)c(Br)cc2c1=O ZINC000563422322 531835931 /nfs/dbraw/zinc/83/59/31/531835931.db2.gz BYNHQJLJQNPZJJ-JTQLQIEISA-N 1 0 388.237 1.237 20 0 GDADRO CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418732440 531836457 /nfs/dbraw/zinc/83/64/57/531836457.db2.gz JSKIUKKKCPNTMY-SDDRHHMPSA-N 1 0 379.452 1.679 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)N(CCO)Cc1cc(Br)cs1 ZINC000418768052 531837863 /nfs/dbraw/zinc/83/78/63/531837863.db2.gz OJVIQOTZPZFROE-NSHDSACASA-N 1 0 378.292 1.003 20 0 GDADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418769125 531838177 /nfs/dbraw/zinc/83/81/77/531838177.db2.gz UUXVXMZKPPVNFI-OAHLLOKOSA-N 1 0 381.885 1.387 20 0 GDADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)NC[C@@H]1C[NH2+]CCCO1 ZINC000418781140 531839076 /nfs/dbraw/zinc/83/90/76/531839076.db2.gz CXPFBSYXAHPMKR-RYUDHWBXSA-N 1 0 392.283 1.411 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c1 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MZSOVBLPXCZQCP-LSDHHAIUSA-N 1 0 378.270 1.457 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000418839652 531850170 /nfs/dbraw/zinc/85/01/70/531850170.db2.gz DARMOXRIXKMWBB-SWLSCSKDSA-N 1 0 384.318 1.986 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418839872 531850488 /nfs/dbraw/zinc/85/04/88/531850488.db2.gz DFLLRDBPXPSMLV-CQSZACIVSA-N 1 0 395.301 1.689 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418839053 531850582 /nfs/dbraw/zinc/85/05/82/531850582.db2.gz CAFPLCBRXVVFAY-SNPRPXQTSA-N 1 0 394.313 1.564 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)C[C@H](C)[NH2+]1 ZINC000418839685 531850926 /nfs/dbraw/zinc/85/09/26/531850926.db2.gz AUJPBUPCEDZVPQ-QWRGUYRKSA-N 1 0 386.265 1.456 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418842303 531852267 /nfs/dbraw/zinc/85/22/67/531852267.db2.gz GLHBDWRCAMYCQZ-LBPRGKRZSA-N 1 0 386.265 1.363 20 0 GDADRO CC1(C)[C@H]([NH3+])C[C@@H]1NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000641804600 531852682 /nfs/dbraw/zinc/85/26/82/531852682.db2.gz ZIWJSNIOYQNFGW-KGLIPLIRSA-N 1 0 386.327 1.752 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418847897 531852880 /nfs/dbraw/zinc/85/28/80/531852880.db2.gz WZEDDQNZCUZJJH-KYOSRNDESA-N 1 0 382.302 1.740 20 0 GDADRO COC[C@H](C)OC[C@H](O)C[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000298107605 531853581 /nfs/dbraw/zinc/85/35/81/531853581.db2.gz JHAFINDOBJTUBE-MAZHCROVSA-N 1 0 376.291 1.827 20 0 GDADRO [NH3+]C/C=C\CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000641865655 531854564 /nfs/dbraw/zinc/85/45/64/531854564.db2.gz ZTJVFQOAVPFVMP-UDSFMNFJSA-N 1 0 396.289 1.719 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC[C@@H]1C(F)(F)F ZINC000624389688 531841526 /nfs/dbraw/zinc/84/15/26/531841526.db2.gz HVRLAAONNLOHMF-PWSUYJOCSA-N 1 0 380.388 1.606 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418803967 531842094 /nfs/dbraw/zinc/84/20/94/531842094.db2.gz FTOLEVKTEGAVTB-SWLSCSKDSA-N 1 0 398.276 1.819 20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000624402208 531842859 /nfs/dbraw/zinc/84/28/59/531842859.db2.gz NVNHWABVXZFGHZ-UHFFFAOYSA-N 1 0 377.304 1.685 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1F ZINC000563450170 531845139 /nfs/dbraw/zinc/84/51/39/531845139.db2.gz VMAMPZMDSAKDJH-QMMMGPOBSA-N 1 0 393.200 1.612 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000283270345 531845660 /nfs/dbraw/zinc/84/56/60/531845660.db2.gz MWBCYCYJKIBKAO-UHFFFAOYSA-N 1 0 392.681 1.471 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418816586 531846660 /nfs/dbraw/zinc/84/66/60/531846660.db2.gz YSAQUWLGAWXSTB-LMLFDSFASA-N 1 0 384.299 1.161 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000418858671 531855608 /nfs/dbraw/zinc/85/56/08/531855608.db2.gz WPCLSXWCCXGDRD-NWANDNLSSA-N 1 0 380.286 1.569 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418825853 531847795 /nfs/dbraw/zinc/84/77/95/531847795.db2.gz KBXKXZLGEXQLDB-UQFNBPPOSA-N 1 0 380.286 1.665 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418825851 531848023 /nfs/dbraw/zinc/84/80/23/531848023.db2.gz KBXKXZLGEXQLDB-REJLFOLJSA-N 1 0 380.286 1.665 20 0 GDADRO O=c1c(Br)c(N2CC[C@@H]3CC[NH2+][C@@H]3C2)cnn1-c1ccccn1 ZINC000643031517 531866239 /nfs/dbraw/zinc/86/62/39/531866239.db2.gz QTUUTRRVTKFTAD-NWDGAFQWSA-N 1 0 376.258 1.578 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000418933002 531866329 /nfs/dbraw/zinc/86/63/29/531866329.db2.gz IGJFYVBFHOKMEC-HNNXBMFYSA-N 1 0 394.313 1.807 20 0 GDADRO CS[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1[NH+](C)C ZINC000270415153 531866483 /nfs/dbraw/zinc/86/64/83/531866483.db2.gz BVFCGDVWYUHLQF-ZIAGYGMSSA-N 1 0 392.493 1.729 20 0 GDADRO COCCN1CCC[C@H]1CNS(=O)(=O)c1cccnc1OCC(F)F ZINC000624953006 531866892 /nfs/dbraw/zinc/86/68/92/531866892.db2.gz WLFREGIRZUQUBQ-LBPRGKRZSA-N 1 0 379.429 1.115 20 0 GDADRO O=C(NCc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418941254 531867251 /nfs/dbraw/zinc/86/72/51/531867251.db2.gz UYQLFVHNMJFVRX-KCQAQPDRSA-N 1 0 380.286 1.570 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418938656 531867348 /nfs/dbraw/zinc/86/73/48/531867348.db2.gz HCVWLHLGONSWLH-HIFRSBDPSA-N 1 0 380.286 1.763 20 0 GDADRO O=C(Nc1cc2ccc(Br)cn2n1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000455237954 531867466 /nfs/dbraw/zinc/86/74/66/531867466.db2.gz AIIPMAUGONRQKB-ZDUSSCGKSA-N 1 0 396.289 2.065 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418945345 531869329 /nfs/dbraw/zinc/86/93/29/531869329.db2.gz JZUKILZJHCJMNI-CYBMUJFWSA-N 1 0 386.290 1.434 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418853939 531855642 /nfs/dbraw/zinc/85/56/42/531855642.db2.gz SRAZJXPGZJHMRV-RKDXNWHRSA-N 1 0 378.231 1.496 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000418858444 531855924 /nfs/dbraw/zinc/85/59/24/531855924.db2.gz WADZVZBUEBXHPO-BPUTZDHNSA-N 1 0 394.313 1.960 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2C)[C@H](C[NH3+])C1 ZINC000418856176 531856213 /nfs/dbraw/zinc/85/62/13/531856213.db2.gz OLGWTWJJBBVHTE-GJZGRUSLSA-N 1 0 398.301 1.338 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000418860375 531857285 /nfs/dbraw/zinc/85/72/85/531857285.db2.gz DXMOWANFOAEDOM-STQMWFEESA-N 1 0 395.301 1.094 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418868200 531858765 /nfs/dbraw/zinc/85/87/65/531858765.db2.gz QFORGPICXQBCOL-QWHCGFSZSA-N 1 0 395.301 1.094 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000418868290 531859200 /nfs/dbraw/zinc/85/92/00/531859200.db2.gz QOIBRCSKZGTOLN-CHWSQXEVSA-N 1 0 397.317 1.258 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000418874732 531859558 /nfs/dbraw/zinc/85/95/58/531859558.db2.gz ZYZDGIQNDQSRLL-GFCCVEGCSA-N 1 0 397.317 1.869 20 0 GDADRO CCCOc1c(Cl)cc(C[NH2+]CCNS(=O)(=O)N(C)C)cc1OC ZINC000298170548 531859841 /nfs/dbraw/zinc/85/98/41/531859841.db2.gz UGFPBSVDMLNALR-UHFFFAOYSA-N 1 0 379.910 1.623 20 0 GDADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1cccc(Cl)c1Br ZINC000563672677 531860266 /nfs/dbraw/zinc/86/02/66/531860266.db2.gz LSCZJLZKEYFOAH-SECBINFHSA-N 1 0 383.695 1.759 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000642700461 531861878 /nfs/dbraw/zinc/86/18/78/531861878.db2.gz LBSKXXJYOJKDFS-YPMHNXCESA-N 1 0 398.326 1.970 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000642742732 531862829 /nfs/dbraw/zinc/86/28/29/531862829.db2.gz DZHPWNLBAABFOX-CYBMUJFWSA-N 1 0 394.313 1.855 20 0 GDADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)NCc1cc(F)cc(Br)c1 ZINC000418920777 531863074 /nfs/dbraw/zinc/86/30/74/531863074.db2.gz BVMOZSDXNRQNQH-UHFFFAOYSA-N 1 0 384.249 1.630 20 0 GDADRO CCOC1(CS(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000624860775 531863979 /nfs/dbraw/zinc/86/39/79/531863979.db2.gz KIBIDLKUHUOLRX-IRXDYDNUSA-N 1 0 376.563 1.860 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CCC2)CC1 ZINC000418930204 531864521 /nfs/dbraw/zinc/86/45/21/531864521.db2.gz DKWRDGLZHCHYJV-UHFFFAOYSA-N 1 0 394.313 1.937 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)C[C@@H]1C[NH3+] ZINC000418929602 531864581 /nfs/dbraw/zinc/86/45/81/531864581.db2.gz FQQJLGRUULTTDQ-JQWIXIFHSA-N 1 0 386.265 1.648 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000672454627 531864698 /nfs/dbraw/zinc/86/46/98/531864698.db2.gz QGFZWHVSQJNFAQ-UONOGXRCSA-N 1 0 386.543 1.152 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1Br ZINC000564958973 531870486 /nfs/dbraw/zinc/87/04/86/531870486.db2.gz FVXJGXKYNOQUNC-NSHDSACASA-N 1 0 390.303 1.767 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(F)c1I ZINC000595240868 531871371 /nfs/dbraw/zinc/87/13/71/531871371.db2.gz WJBNDLAIKDTRTJ-UHFFFAOYSA-N 1 0 393.200 1.565 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)Cc1c(F)cccc1F ZINC000564967052 531871765 /nfs/dbraw/zinc/87/17/65/531871765.db2.gz JCKQYRNDNYZBME-LBPRGKRZSA-N 1 0 375.441 1.114 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418952997 531871923 /nfs/dbraw/zinc/87/19/23/531871923.db2.gz ZFPOTUOQJJTPBA-ONERCXAPSA-N 1 0 380.286 1.667 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418955195 531872023 /nfs/dbraw/zinc/87/20/23/531872023.db2.gz UWQFDCAYOOBSQL-FZMZJTMJSA-N 1 0 384.274 1.201 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418955778 531872311 /nfs/dbraw/zinc/87/23/11/531872311.db2.gz VHWXJYNKGWUULX-QGZVFWFLSA-N 1 0 396.285 1.156 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418972209 531874216 /nfs/dbraw/zinc/87/42/16/531874216.db2.gz YNKICZLTHLWXEO-BXKDBHETSA-N 1 0 387.267 1.068 20 0 GDADRO COC1CC[NH+](CCNC(=O)NCCCn2cc(Br)cn2)CC1 ZINC000673229884 531874891 /nfs/dbraw/zinc/87/48/91/531874891.db2.gz SQZKNKHONYQMRI-UHFFFAOYSA-N 1 0 388.310 1.446 20 0 GDADRO C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCSC1 ZINC000270466151 531875112 /nfs/dbraw/zinc/87/51/12/531875112.db2.gz MPNIKLKHZZVYLU-OAHLLOKOSA-N 1 0 386.539 1.524 20 0 GDADRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000270474844 531875949 /nfs/dbraw/zinc/87/59/49/531875949.db2.gz MLAYBGFQJMIUIN-CVEARBPZSA-N 1 0 385.555 1.411 20 0 GDADRO Cc1cc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)ccc1Br ZINC000418992916 531877639 /nfs/dbraw/zinc/87/76/39/531877639.db2.gz ONJLJLVVXABRMO-FZMZJTMJSA-N 1 0 398.301 1.603 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Br ZINC000419009450 531878192 /nfs/dbraw/zinc/87/81/92/531878192.db2.gz NGJSHJXDKXUIFG-QKCSRTOESA-N 1 0 396.285 1.455 20 0 GDADRO C[C@H]1CC2(CN1C(=O)CCn1cc(Br)ccc1=O)CC[NH2+]CC2 ZINC000566095843 531878485 /nfs/dbraw/zinc/87/84/85/531878485.db2.gz XRQCJYUVYDACQV-ZDUSSCGKSA-N 1 0 382.302 1.992 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000419034189 531884470 /nfs/dbraw/zinc/88/44/70/531884470.db2.gz DGEANRDCQHQVNR-CYBMUJFWSA-N 1 0 378.885 1.682 20 0 GDADRO CCOC1(CS(=O)(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000625053459 531879590 /nfs/dbraw/zinc/87/95/90/531879590.db2.gz YVRXFXTVDDYXJW-BBWFWOEESA-N 1 0 376.563 1.858 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1Br ZINC000419012287 531879844 /nfs/dbraw/zinc/87/98/44/531879844.db2.gz VSLKQCVFMHIQPW-NOZJJQNGSA-N 1 0 384.274 1.488 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1Br ZINC000419012874 531880165 /nfs/dbraw/zinc/88/01/65/531880165.db2.gz XOHPREMSVUPTBG-OUJBWJOFSA-N 1 0 384.274 1.441 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419015247 531880564 /nfs/dbraw/zinc/88/05/64/531880564.db2.gz BFNUPDCBZZUVGX-DYVFJYSZSA-N 1 0 396.285 1.586 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000419012872 531880625 /nfs/dbraw/zinc/88/06/25/531880625.db2.gz XOHPREMSVUPTBG-KWBADKCTSA-N 1 0 384.274 1.441 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)c1OC ZINC000595412899 531881442 /nfs/dbraw/zinc/88/14/42/531881442.db2.gz ODUKCXCKGVWTPG-ZDUSSCGKSA-N 1 0 390.889 1.754 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419021067 531881475 /nfs/dbraw/zinc/88/14/75/531881475.db2.gz LTNIRXROJQONAJ-CYBMUJFWSA-N 1 0 384.274 1.457 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419018171 531881622 /nfs/dbraw/zinc/88/16/22/531881622.db2.gz HGPSNIFHDUZDGQ-BJJXKVORSA-N 1 0 394.313 1.707 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)NCCC[C@H]1CCC[NH2+]1 ZINC000566250670 531882053 /nfs/dbraw/zinc/88/20/53/531882053.db2.gz KGCZGXGQEUZQJJ-CYBMUJFWSA-N 1 0 389.315 1.871 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419033432 531883961 /nfs/dbraw/zinc/88/39/61/531883961.db2.gz CDHIWMKMFBQRRK-ZWNOBZJWSA-N 1 0 382.258 1.209 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419050962 531891399 /nfs/dbraw/zinc/89/13/99/531891399.db2.gz FEZUMPSOEWIKBQ-UONOGXRCSA-N 1 0 382.302 1.836 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419052420 531892515 /nfs/dbraw/zinc/89/25/15/531892515.db2.gz HUQHNKXIJXAEML-XQQFMLRXSA-N 1 0 382.302 1.705 20 0 GDADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566727307 531893079 /nfs/dbraw/zinc/89/30/79/531893079.db2.gz BXULEGIMFSPBQK-AOOOYVTPSA-N 1 0 378.782 1.993 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419055586 531894222 /nfs/dbraw/zinc/89/42/22/531894222.db2.gz ONXCCNOZHXARRP-OCCSQVGLSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419056522 531895122 /nfs/dbraw/zinc/89/51/22/531895122.db2.gz RHXAGFNSPZMKHN-GFCCVEGCSA-N 1 0 380.286 1.532 20 0 GDADRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000298507027 531895537 /nfs/dbraw/zinc/89/55/37/531895537.db2.gz KLQHFSCXGRDSLG-RYUDHWBXSA-N 1 0 385.511 1.072 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707695 531896723 /nfs/dbraw/zinc/89/67/23/531896723.db2.gz BSRXTFOKMLQYDZ-CHWSQXEVSA-N 1 0 386.279 1.391 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)[C@@H](C)C[NH2+]1 ZINC000419077838 531897567 /nfs/dbraw/zinc/89/75/67/531897567.db2.gz KAKVOKYOYYACIF-OLZOCXBDSA-N 1 0 394.313 1.806 20 0 GDADRO CC(C)(CNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1)NS(C)(=O)=O ZINC000625439131 531897638 /nfs/dbraw/zinc/89/76/38/531897638.db2.gz CRUWVFJZPQWZHD-HNNXBMFYSA-N 1 0 387.933 1.748 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000298516040 531897946 /nfs/dbraw/zinc/89/79/46/531897946.db2.gz SCQPRVKVOHQTER-ZDUSSCGKSA-N 1 0 389.543 1.085 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1sc2c(c1I)CNC2 ZINC000595963517 531898864 /nfs/dbraw/zinc/89/88/64/531898864.db2.gz MCLGDZJRERCUHT-NKWVEPMBSA-N 1 0 379.267 1.812 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000647863967 531899058 /nfs/dbraw/zinc/89/90/58/531899058.db2.gz OCZLOOGQTHLBRX-FZMZJTMJSA-N 1 0 377.304 1.271 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000368004199 531884819 /nfs/dbraw/zinc/88/48/19/531884819.db2.gz BQRDOFLDVRKYKQ-KBPBESRZSA-N 1 0 385.258 1.630 20 0 GDADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccnc1OCC(F)F ZINC000625215041 531885740 /nfs/dbraw/zinc/88/57/40/531885740.db2.gz YNNIXDCTUVHKHG-CHWSQXEVSA-N 1 0 375.441 1.973 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419038989 531885792 /nfs/dbraw/zinc/88/57/92/531885792.db2.gz GMXVNYVTAPQLLE-SNVBAGLBSA-N 1 0 375.803 1.673 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000419039428 531886368 /nfs/dbraw/zinc/88/63/68/531886368.db2.gz HFXNAPPNTRNPNM-NXEZZACHSA-N 1 0 375.803 1.753 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000270524120 531887413 /nfs/dbraw/zinc/88/74/13/531887413.db2.gz UGCGABJXNHUMRM-KGLIPLIRSA-N 1 0 391.946 1.366 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)CC[NH2+]1 ZINC000419042958 531888214 /nfs/dbraw/zinc/88/82/14/531888214.db2.gz MQJZLFFRLLHFTD-BXKDBHETSA-N 1 0 375.803 1.814 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419043522 531888275 /nfs/dbraw/zinc/88/82/75/531888275.db2.gz RJHZDLZFPHNTQP-RISCZKNCSA-N 1 0 396.285 1.599 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1ccccc1Br)C1=CC[N@H+](C)CC1 ZINC000283726324 531888493 /nfs/dbraw/zinc/88/84/93/531888493.db2.gz HCUPTCOFKLUTSY-LBPRGKRZSA-N 1 0 380.286 1.832 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CC[C@@H]1[NH3+] ZINC000419046449 531889307 /nfs/dbraw/zinc/88/93/07/531889307.db2.gz YDXOSPBZZBIJMW-SWHYSGLUSA-N 1 0 396.285 1.585 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419044431 531889788 /nfs/dbraw/zinc/88/97/88/531889788.db2.gz PVYCSCUFYYTHPH-UTLUCORTSA-N 1 0 378.420 1.938 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419051252 531890753 /nfs/dbraw/zinc/89/07/53/531890753.db2.gz FOGMVISBRUDAHD-MBNYWOFBSA-N 1 0 382.302 1.740 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(S(=O)(=O)NCCOC)c2)[C@H]1SC ZINC000298607060 531905037 /nfs/dbraw/zinc/90/50/37/531905037.db2.gz ZTBCCTUODZNYEY-GVDBMIGSSA-N 1 0 388.555 1.610 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)NCCNS(=O)(=O)CC)c1ccsc1 ZINC000298621520 531905431 /nfs/dbraw/zinc/90/54/31/531905431.db2.gz WPMDJZJFQLICCX-AWEZNQCLSA-N 1 0 376.548 1.370 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000647985016 531906009 /nfs/dbraw/zinc/90/60/09/531906009.db2.gz XYTMUCADJAAZTG-LBPRGKRZSA-N 1 0 386.294 1.677 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccccc3Br)C[C@H]21 ZINC000419153444 531906160 /nfs/dbraw/zinc/90/61/60/531906160.db2.gz WAVLIPODQYCWRS-GZBFAFLISA-N 1 0 380.286 1.651 20 0 GDADRO COc1cc(I)c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000368362772 531906177 /nfs/dbraw/zinc/90/61/77/531906177.db2.gz PXWVYIJIFZNSSO-WOFXILAISA-N 1 0 388.205 1.256 20 0 GDADRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000596067619 531906199 /nfs/dbraw/zinc/90/61/99/531906199.db2.gz OCEVYHKKLRPSPN-OASPWFOLSA-N 1 0 376.222 1.869 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1cc(F)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000419160946 531906270 /nfs/dbraw/zinc/90/62/70/531906270.db2.gz QVFUDGQCBFHCQI-MNOVXSKESA-N 1 0 386.265 1.709 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000647957681 531907123 /nfs/dbraw/zinc/90/71/23/531907123.db2.gz CHNDTUXSZBRYRV-CYBMUJFWSA-N 1 0 395.978 1.409 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCO[C@@H](c3cccs3)C2)CCSC1 ZINC000283890578 531907219 /nfs/dbraw/zinc/90/72/19/531907219.db2.gz CJQBVIKMJSEMFS-CXAGYDPISA-N 1 0 383.539 1.202 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419166809 531908342 /nfs/dbraw/zinc/90/83/42/531908342.db2.gz PRYFUTVERSXFEN-DUVNUKRYSA-N 1 0 394.313 1.878 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CC12CC[NH2+]CC2 ZINC000648140934 531908529 /nfs/dbraw/zinc/90/85/29/531908529.db2.gz RPIMVLGIGHWCQL-LBPRGKRZSA-N 1 0 392.308 1.530 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419171202 531908714 /nfs/dbraw/zinc/90/87/14/531908714.db2.gz XHGJGFHOZDTZLM-JSGCOSHPSA-N 1 0 382.302 1.817 20 0 GDADRO COC(=O)c1cn(CC[NH2+]Cc2cccc(I)c2)nn1 ZINC000283900545 531908797 /nfs/dbraw/zinc/90/87/97/531908797.db2.gz HTXXBPBCTHUPFJ-UHFFFAOYSA-N 1 0 386.193 1.459 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000568512181 531910180 /nfs/dbraw/zinc/91/01/80/531910180.db2.gz NJZBGFANWRJGTD-JSGCOSHPSA-N 1 0 389.518 1.046 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419199970 531912021 /nfs/dbraw/zinc/91/20/21/531912021.db2.gz DHLQSILBYQAXIU-LBPRGKRZSA-N 1 0 398.301 1.661 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419207557 531913661 /nfs/dbraw/zinc/91/36/61/531913661.db2.gz PFADTUJGRUIRCN-WCQYABFASA-N 1 0 398.301 1.517 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1ccc(Br)s1)C1CCCC1 ZINC000419117847 531901755 /nfs/dbraw/zinc/90/17/55/531901755.db2.gz QMXXAYICYHOLHM-GFCCVEGCSA-N 1 0 388.331 1.803 20 0 GDADRO CC1(OCC(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C[NH2+]C1 ZINC000647914323 531902266 /nfs/dbraw/zinc/90/22/66/531902266.db2.gz STBJBRSPVYXSPA-UHFFFAOYSA-N 1 0 377.754 1.396 20 0 GDADRO CC(C)([NH3+])CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000647906723 531902291 /nfs/dbraw/zinc/90/22/91/531902291.db2.gz TVTOLSKNLGMAMW-UHFFFAOYSA-N 1 0 379.935 1.752 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000567822975 531902520 /nfs/dbraw/zinc/90/25/20/531902520.db2.gz CHEXGGBSWJKCTB-RYUDHWBXSA-N 1 0 386.221 1.006 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)c1Br ZINC000419132460 531903199 /nfs/dbraw/zinc/90/31/99/531903199.db2.gz BMZJCZBFOSUIGZ-UHFFFAOYSA-N 1 0 380.286 1.800 20 0 GDADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000419226786 531917065 /nfs/dbraw/zinc/91/70/65/531917065.db2.gz RHUDHAQSGOSMIQ-OWYVNGRQSA-N 1 0 375.238 1.756 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000678040452 531917275 /nfs/dbraw/zinc/91/72/75/531917275.db2.gz VQNVTJIIBZZKCR-GOSISDBHSA-N 1 0 376.563 1.956 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)N(C)CCOCC[NH3+] ZINC000625875626 531917531 /nfs/dbraw/zinc/91/75/31/531917531.db2.gz DAMODSOPXZAYCU-UHFFFAOYSA-N 1 0 390.278 1.913 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419254041 531918219 /nfs/dbraw/zinc/91/82/19/531918219.db2.gz UVRQXHXQYUFLAT-WQAKAFBOSA-N 1 0 398.326 1.826 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)CC[NH2+]1 ZINC000419256900 531918363 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C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000573367646 531982143 /nfs/dbraw/zinc/98/21/43/531982143.db2.gz KPXNBDNNWJVYPJ-PWSUYJOCSA-N 1 0 394.269 1.644 20 0 GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419887494 531982299 /nfs/dbraw/zinc/98/22/99/531982299.db2.gz QLNJSEBOHIUOHT-OLZOCXBDSA-N 1 0 380.286 1.591 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000419890298 531982480 /nfs/dbraw/zinc/98/24/80/531982480.db2.gz HZOLSMYVAWQEHG-UHFFFAOYSA-N 1 0 382.302 1.665 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419897488 531983579 /nfs/dbraw/zinc/98/35/79/531983579.db2.gz ZAVGVKGLHWFEGO-CQSZACIVSA-N 1 0 380.286 1.417 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000419904145 531983739 /nfs/dbraw/zinc/98/37/39/531983739.db2.gz XEPCKFXBOHDHRX-HUUCEWRRSA-N 1 0 396.285 1.217 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419907598 531985005 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[NH3+][C@H](CNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1)c1ccccc1 ZINC000419931907 531988520 /nfs/dbraw/zinc/98/85/20/531988520.db2.gz PNWVFQZAGPNMLU-ZIAGYGMSSA-N 1 0 376.507 1.576 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000419936294 531988537 /nfs/dbraw/zinc/98/85/37/531988537.db2.gz LCDLKGKKVXQHQL-CYBMUJFWSA-N 1 0 398.305 1.067 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000419939225 531988557 /nfs/dbraw/zinc/98/85/57/531988557.db2.gz YHCHKBOGGPYYDD-UHFFFAOYSA-N 1 0 388.299 1.153 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000419930493 531988665 /nfs/dbraw/zinc/98/86/65/531988665.db2.gz BEIBGFLBYLLYTI-CYBMUJFWSA-N 1 0 384.933 1.304 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419943216 531989181 /nfs/dbraw/zinc/98/91/81/531989181.db2.gz IEFYRCMEYMDJJV-OAHLLOKOSA-N 1 0 382.302 1.974 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000419955207 531989240 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C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cccc(Br)n2)CCSC1 ZINC000285351445 532072035 /nfs/dbraw/zinc/07/20/35/532072035.db2.gz TZPQCLVRCGTKEF-CQSZACIVSA-N 1 0 387.303 1.336 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2F)C1 ZINC000423223999 532073676 /nfs/dbraw/zinc/07/36/76/532073676.db2.gz BFWPWINZRKAQEW-ZDUSSCGKSA-N 1 0 386.265 1.757 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)C[C@@]1(C)C[NH3+] ZINC000423477925 532075430 /nfs/dbraw/zinc/07/54/30/532075430.db2.gz KRWSPTNWWGRCPK-YMTOWFKASA-N 1 0 378.420 1.564 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2csc(Br)c2)C2CC2)C1 ZINC000423462049 532075501 /nfs/dbraw/zinc/07/55/01/532075501.db2.gz VALLNRDLRSLTGL-NSHDSACASA-N 1 0 386.315 1.822 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423465047 532075646 /nfs/dbraw/zinc/07/56/46/532075646.db2.gz BYYKJYGZSBSTOE-NEPJUHHUSA-N 1 0 380.286 1.702 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423223990 532074160 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COc1cc(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)ccc1Br ZINC000602442979 532077054 /nfs/dbraw/zinc/07/70/54/532077054.db2.gz DSQDHDGQAKDOTI-OAQYLSRUSA-N 1 0 375.288 1.897 20 0 GDADRO C[S@](=O)C1(C(=O)NCc2cccc(OCC(F)(F)F)c2)CC[NH2+]CC1 ZINC000602440758 532077434 /nfs/dbraw/zinc/07/74/34/532077434.db2.gz SZBGWOVPVLJLQQ-VWLOTQADSA-N 1 0 378.416 1.745 20 0 GDADRO Cc1cc(C)c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C)c1Br ZINC000602523751 532078954 /nfs/dbraw/zinc/07/89/54/532078954.db2.gz HTLZKFKWTCOTAR-STQMWFEESA-N 1 0 380.286 1.758 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000423705292 532079854 /nfs/dbraw/zinc/07/98/54/532079854.db2.gz OHZAXVFMVVZRTQ-OCCSQVGLSA-N 1 0 382.302 1.646 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N2CCc3c(Br)ccc(F)c3C2)nn1 ZINC000423871370 532080999 /nfs/dbraw/zinc/08/09/99/532080999.db2.gz KESOCMNOLAKDDH-UHFFFAOYSA-N 1 0 382.237 1.727 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)[C@H]1C[NH3+] ZINC000423736985 532081250 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C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272676174 532109713 /nfs/dbraw/zinc/10/97/13/532109713.db2.gz UQCSSLMCNXDNLV-HEHGZKQESA-N 1 0 385.917 1.559 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CCO1 ZINC000374086500 532110877 /nfs/dbraw/zinc/11/08/77/532110877.db2.gz IGULLXCMKAPZPV-TZMCWYRMSA-N 1 0 390.889 1.104 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000374087941 532111210 /nfs/dbraw/zinc/11/12/10/532111210.db2.gz TVRKXDBNTQBPBI-WCQYABFASA-N 1 0 378.878 1.102 20 0 GDADRO CCn1cncc1S(=O)(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000330180404 532117687 /nfs/dbraw/zinc/11/76/87/532117687.db2.gz NJSBZBSIAYPGSJ-AWEZNQCLSA-N 1 0 383.543 1.811 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C(=O)NCC1CC1 ZINC000425100169 532119112 /nfs/dbraw/zinc/11/91/12/532119112.db2.gz SGNSZACNLBGMRM-UHFFFAOYSA-N 1 0 397.317 1.912 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cn(C)nn1 ZINC000425101173 532119415 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GDADRO COc1cc2[nH+]ccc(NCCCNS(C)(=O)=O)c2cc1Br ZINC000425213057 532129301 /nfs/dbraw/zinc/12/93/01/532129301.db2.gz XMYNQTUSXHMHKL-UHFFFAOYSA-N 1 0 388.287 1.779 20 0 GDADRO CC(=O)[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000330861259 532131472 /nfs/dbraw/zinc/13/14/72/532131472.db2.gz PXNWDZTVKWATQX-INIZCTEOSA-N 1 0 384.274 1.835 20 0 GDADRO C[C@@H](C[S@@](C)=O)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000273061346 532132138 /nfs/dbraw/zinc/13/21/38/532132138.db2.gz BOIGZEYLRIHPMD-JPQMIFPKSA-N 1 0 389.905 1.102 20 0 GDADRO COC(=O)[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1c1ccc(Br)cc1 ZINC000425350939 532136261 /nfs/dbraw/zinc/13/62/61/532136261.db2.gz UOBMJNHWJPKVIZ-LSDHHAIUSA-N 1 0 379.258 1.966 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000273161595 532137118 /nfs/dbraw/zinc/13/71/18/532137118.db2.gz BOXSJBCNUHZYIX-CYBMUJFWSA-N 1 0 376.906 1.402 20 0 GDADRO COC(=O)[C@@H]1C[N@H+](C[C@](C)(O)C(C)=O)C[C@H]1c1ccc(Br)cc1 ZINC000425523097 532142456 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[NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000332511117 532191661 /nfs/dbraw/zinc/19/16/61/532191661.db2.gz UXFFLJQMEKUZJW-QWRGUYRKSA-N 1 0 398.276 1.859 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000376246614 532200930 /nfs/dbraw/zinc/20/09/30/532200930.db2.gz FNMHRPSBMOEIMJ-ZDUSSCGKSA-N 1 0 390.912 1.665 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)[C@H](C[NH3+])C1 ZINC000427930880 532194430 /nfs/dbraw/zinc/19/44/30/532194430.db2.gz KOFQRMJUPQGJDK-VHSXEESVSA-N 1 0 386.367 1.851 20 0 GDADRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000427927640 532194679 /nfs/dbraw/zinc/19/46/79/532194679.db2.gz BVMGAMOYZDUMAB-CQSZACIVSA-N 1 0 389.543 1.267 20 0 GDADRO O=C(Nc1cccc(I)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332564700 532195047 /nfs/dbraw/zinc/19/50/47/532195047.db2.gz STSXEWSKIPQHNZ-MFKMUULPSA-N 1 0 399.232 1.440 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428036005 532196257 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CC(=O)NC1CCC([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000375841632 532186005 /nfs/dbraw/zinc/18/60/05/532186005.db2.gz SKHLDOFQJWPJGW-FHERZECASA-N 1 0 385.555 1.796 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000332437975 532186587 /nfs/dbraw/zinc/18/65/87/532186587.db2.gz BCVWBAXWNYVDDE-LBPRGKRZSA-N 1 0 384.249 1.341 20 0 GDADRO CCOC(=O)Cc1csc(NC(=O)CN2C[C@H](SC)[C@@H]([NH+](C)C)C2)n1 ZINC000274141380 532188238 /nfs/dbraw/zinc/18/82/38/532188238.db2.gz GVMZGLSODHUHLE-STQMWFEESA-N 1 0 386.543 1.165 20 0 GDADRO Cc1nn(C)c(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1Br ZINC000375922217 532189525 /nfs/dbraw/zinc/18/95/25/532189525.db2.gz YGAZPRWBOLHXKN-MEBBXXQBSA-N 1 0 384.278 1.301 20 0 GDADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000332504061 532190801 /nfs/dbraw/zinc/19/08/01/532190801.db2.gz SBEISQCJNPHPJY-MEBBXXQBSA-N 1 0 398.276 1.730 20 0 GDADRO CS(=O)(=O)c1csc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000428540854 532210047 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C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cncc(Br)c1 ZINC000274547575 532217093 /nfs/dbraw/zinc/21/70/93/532217093.db2.gz GMAQCJVIIHOJMS-GFCCVEGCSA-N 1 0 391.335 1.148 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)s2)CC1 ZINC000333310669 532228899 /nfs/dbraw/zinc/22/88/99/532228899.db2.gz NMHOWDWIUVATGF-KGLIPLIRSA-N 1 0 383.539 1.603 20 0 GDADRO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376778374 532228939 /nfs/dbraw/zinc/22/89/39/532228939.db2.gz OIURBIQRYIQRCI-NSHDSACASA-N 1 0 382.288 1.801 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000333298249 532229223 /nfs/dbraw/zinc/22/92/23/532229223.db2.gz BNPVOWGYZSJBFJ-LBPRGKRZSA-N 1 0 385.306 1.234 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](CO)CC(F)F)CC2)cc1 ZINC000429471504 532229581 /nfs/dbraw/zinc/22/95/81/532229581.db2.gz OHGOCXRGURBUQI-ZDUSSCGKSA-N 1 0 378.441 1.454 20 0 GDADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000429719702 532232757 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GDADRO Cc1cc(S(=O)(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)sc1C ZINC000333880707 532253931 /nfs/dbraw/zinc/25/39/31/532253931.db2.gz DJYYMSBENPRLRS-UHFFFAOYSA-N 1 0 387.571 1.440 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c(F)cc1Br ZINC000333718550 532246461 /nfs/dbraw/zinc/24/64/61/532246461.db2.gz UDTFETHQOSWWSZ-JTQLQIEISA-N 1 0 381.267 1.553 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)NCCc2ccc(Br)cc2)CCC1 ZINC000287869714 532247116 /nfs/dbraw/zinc/24/71/16/532247116.db2.gz SCFCIADLVRNFHE-UHFFFAOYSA-N 1 0 382.302 1.708 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000287877111 532247668 /nfs/dbraw/zinc/24/76/68/532247668.db2.gz ZQJGFSWNBKJRHD-JTQLQIEISA-N 1 0 378.420 1.721 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333731733 532247746 /nfs/dbraw/zinc/24/77/46/532247746.db2.gz WFFKBGMKXKHAPO-KCJUWKMLSA-N 1 0 379.251 1.579 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000333790897 532249766 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20 0 GDADRO C[C@@H]([NH2+]CCN1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430693493 532254831 /nfs/dbraw/zinc/25/48/31/532254831.db2.gz HASYBEWAXXNXIS-LLVKDONJSA-N 1 0 376.320 1.843 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N(C)CC[NH+](C)C)c1 ZINC000287977432 532254907 /nfs/dbraw/zinc/25/49/07/532254907.db2.gz JIULEMXVXBHLFM-UHFFFAOYSA-N 1 0 389.237 1.558 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC000275041332 532256012 /nfs/dbraw/zinc/25/60/12/532256012.db2.gz FLCGMZCSVFLBNK-INIZCTEOSA-N 1 0 390.527 1.428 20 0 GDADRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCOC1 ZINC000430724344 532256508 /nfs/dbraw/zinc/25/65/08/532256508.db2.gz NQIMRPGEYHWWLR-HZMBPMFUSA-N 1 0 393.303 1.553 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cc(F)c(F)cc1Br ZINC000288092163 532263293 /nfs/dbraw/zinc/26/32/93/532263293.db2.gz IDJQRYVSSSLFDK-CQSZACIVSA-N 1 0 380.233 1.839 20 0 GDADRO CCSc1nnc(NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)s1 ZINC000431440863 532266382 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Cc1c(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)cccc1-c1nn[nH]n1 ZINC000822053612 607272390 /nfs/dbraw/zinc/27/23/90/607272390.db2.gz PFOIABPSGMFILY-CYBMUJFWSA-N 1 0 385.472 1.494 20 0 GDADRO Cc1c(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cccc1-c1nn[nH]n1 ZINC000822053740 607276158 /nfs/dbraw/zinc/27/61/58/607276158.db2.gz QEZFQRADVLOYLI-CHWSQXEVSA-N 1 0 385.472 1.493 20 0 GDADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1C)[NH+](C)C ZINC000820892540 607276462 /nfs/dbraw/zinc/27/64/62/607276462.db2.gz BGEQRYWWDOKZJA-INIZCTEOSA-N 1 0 387.488 1.596 20 0 GDADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000736169578 599248200 /nfs/dbraw/zinc/24/82/00/599248200.db2.gz LFNKFKRSQXIQFE-HOTGVXAUSA-N 1 0 384.484 1.968 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822043432 607274446 /nfs/dbraw/zinc/27/44/46/607274446.db2.gz DRIMSWYBQBIDPI-QWHCGFSZSA-N 1 0 385.472 1.350 20 0 GDADRO Cc1c(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)cccc1-c1nn[nH]n1 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CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)ncn1 ZINC000736886318 598340910 /nfs/dbraw/zinc/34/09/10/598340910.db2.gz HOZDSRXLRRFOHH-AWEZNQCLSA-N 1 0 383.435 1.596 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000735561491 598352460 /nfs/dbraw/zinc/35/24/60/598352460.db2.gz KOIACSATJYJSQU-CQSZACIVSA-N 1 0 380.456 1.802 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736854573 598357952 /nfs/dbraw/zinc/35/79/52/598357952.db2.gz DOLMQTJUCXIFEP-HNNXBMFYSA-N 1 0 382.424 1.863 20 0 GDADRO CC1(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOCC1 ZINC000736202129 598366549 /nfs/dbraw/zinc/36/65/49/598366549.db2.gz GVYURENZZMLTIG-UHFFFAOYSA-N 1 0 384.484 1.718 20 0 GDADRO CN1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1=O ZINC000736845834 598369470 /nfs/dbraw/zinc/36/94/70/598369470.db2.gz NVDSBJIFHHKAOM-KRWDZBQOSA-N 1 0 378.436 1.766 20 0 GDADRO COCCC[NH+]1CCC(NC(=S)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736980943 598378034 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398.511 1.949 20 0 GDADRO O=C1OCCN1c1cccc(C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)c1 ZINC000738320979 598465997 /nfs/dbraw/zinc/46/59/97/598465997.db2.gz UKGHDSLYRGHSTN-UHFFFAOYSA-N 1 0 391.395 1.156 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000736133227 598466683 /nfs/dbraw/zinc/46/66/83/598466683.db2.gz GNTODCNYINIXEY-ZDUSSCGKSA-N 1 0 386.481 1.968 20 0 GDADRO O=C(NCCNc1ncccc1-c1nn[nH]n1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738077171 598484280 /nfs/dbraw/zinc/48/42/80/598484280.db2.gz ATCLTZDGZINDET-OAHLLOKOSA-N 1 0 399.503 1.334 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[nH]n2)C1 ZINC000736565702 598487134 /nfs/dbraw/zinc/48/71/34/598487134.db2.gz OETWCMOMZGNESG-LLVKDONJSA-N 1 0 387.513 1.933 20 0 GDADRO CN(C)C[C@H](Cc1ccccc1)[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000736765703 598493306 /nfs/dbraw/zinc/49/33/06/598493306.db2.gz ZTILEUYBQKDZIO-INIZCTEOSA-N 1 0 377.456 1.172 20 0 GDADRO CCCO[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736489686 598507210 /nfs/dbraw/zinc/50/72/10/598507210.db2.gz ZTCONPHCUNCDFX-IRXDYDNUSA-N 1 0 375.473 1.888 20 0 GDADRO CCC[NH+](CCC)CCCNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736472961 598508080 /nfs/dbraw/zinc/50/80/80/598508080.db2.gz DVLHEOZPYZTJBM-UHFFFAOYSA-N 1 0 380.518 1.798 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736481043 598508593 /nfs/dbraw/zinc/50/85/93/598508593.db2.gz RENYNZXFEVNJQZ-UHFFFAOYSA-N 1 0 378.502 1.408 20 0 GDADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)C[C@@H](O)COCc1ccccc1 ZINC000736804400 598514558 /nfs/dbraw/zinc/51/45/58/598514558.db2.gz MXEFSEOMLLNXQG-QGZVFWFLSA-N 1 0 383.452 1.755 20 0 GDADRO C[C@H](OCCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736165376 598519992 /nfs/dbraw/zinc/51/99/92/598519992.db2.gz UMPFDVMLWQTVLN-LSDHHAIUSA-N 1 0 382.472 1.862 20 0 GDADRO CCCC(=O)Nc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000736418035 598523249 /nfs/dbraw/zinc/52/32/49/598523249.db2.gz XYKOLZHGKAMUOX-CQSZACIVSA-N 1 0 395.471 1.633 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1ccc(N3CCCCC3)nc1)C2 ZINC000738413081 598523847 /nfs/dbraw/zinc/52/38/47/598523847.db2.gz MRKAOFDMAONGKM-OAHLLOKOSA-N 1 0 394.487 1.280 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCCCOCCc1ccccc1)C2 ZINC000738433949 598523878 /nfs/dbraw/zinc/52/38/78/598523878.db2.gz ZTKURKYSKTVVMJ-QGZVFWFLSA-N 1 0 396.499 1.734 20 0 GDADRO CC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)OCCO2 ZINC000736371212 598524409 /nfs/dbraw/zinc/52/44/09/598524409.db2.gz POZAAFYWFZMWDR-DOMZBBRYSA-N 1 0 396.455 1.617 20 0 GDADRO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737879172 598524762 /nfs/dbraw/zinc/52/47/62/598524762.db2.gz SYRWJKJVCJLUGL-SFHVURJKSA-N 1 0 383.500 1.433 20 0 GDADRO O=C1[C@@H]([NH+]2CCC(n3cccn3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291109 598559033 /nfs/dbraw/zinc/55/90/33/598559033.db2.gz SGVVHVPGHBGHCT-KRWDZBQOSA-N 1 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C[C@H](CNC(=O)CNc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736015180 598693557 /nfs/dbraw/zinc/69/35/57/598693557.db2.gz YYBGCIXMHUYCTO-OAHLLOKOSA-N 1 0 379.468 1.915 20 0 GDADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000735733207 598696436 /nfs/dbraw/zinc/69/64/36/598696436.db2.gz DZUKNSLSEFLBNY-YJBOKZPZSA-N 1 0 384.484 1.965 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736767665 598701883 /nfs/dbraw/zinc/70/18/83/598701883.db2.gz SCYSBEMSXWMLGI-HNNXBMFYSA-N 1 0 390.513 1.528 20 0 GDADRO CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736852901 598743450 /nfs/dbraw/zinc/74/34/50/598743450.db2.gz SDYBEOZEEIRHCU-LKGOPFMKSA-N 1 0 395.511 1.507 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736858797 598757544 /nfs/dbraw/zinc/75/75/44/598757544.db2.gz BQLYTDUSZOBQFS-HOTGVXAUSA-N 1 0 376.486 1.255 20 0 GDADRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21 ZINC000736000827 598772683 /nfs/dbraw/zinc/77/26/83/598772683.db2.gz JRWYISUXRUGUMF-NSHDSACASA-N 1 0 388.426 1.741 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735987287 598783175 /nfs/dbraw/zinc/78/31/75/598783175.db2.gz XVYHDFHNYVIMMI-AWEZNQCLSA-N 1 0 387.488 1.760 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CSCCS1 ZINC000736767637 598805506 /nfs/dbraw/zinc/80/55/06/598805506.db2.gz RTZJCFOTCPJBIZ-OAHLLOKOSA-N 1 0 392.554 1.606 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736322732 598820134 /nfs/dbraw/zinc/82/01/34/598820134.db2.gz OHUZAIBHNJIUNX-LBPRGKRZSA-N 1 0 383.460 1.095 20 0 GDADRO COc1ccc([C@H](CO)[N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737074058 598820899 /nfs/dbraw/zinc/82/08/99/598820899.db2.gz HWPOLHXQIPUHSU-SFHVURJKSA-N 1 0 396.451 1.869 20 0 GDADRO COc1ccc([C@@H](CO)[N@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737077306 598821055 /nfs/dbraw/zinc/82/10/55/598821055.db2.gz VVLUNTLTUSTFQB-QFBILLFUSA-N 1 0 399.451 1.280 20 0 GDADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736408867 599300598 /nfs/dbraw/zinc/30/05/98/599300598.db2.gz KLJDICBNDKLZQJ-XYPHTWIQSA-N 1 0 399.499 1.266 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000822505630 599330168 /nfs/dbraw/zinc/33/01/68/599330168.db2.gz PNODGXZVYFSXOM-UHFFFAOYSA-N 1 0 380.456 1.894 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736352186 599343912 /nfs/dbraw/zinc/34/39/12/599343912.db2.gz XHJVQGVXLWVLAW-AWEZNQCLSA-N 1 0 395.471 1.239 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000821252666 599347327 /nfs/dbraw/zinc/34/73/27/599347327.db2.gz AQOMOIVOUOFLAB-FZMZJTMJSA-N 1 0 382.465 1.357 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736767371 599352406 /nfs/dbraw/zinc/35/24/06/599352406.db2.gz PBCNINMKPIOYCF-CYBMUJFWSA-N 1 0 377.424 1.580 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821242506 599356504 /nfs/dbraw/zinc/35/65/04/599356504.db2.gz UKIXENSVFPEHFO-UHFFFAOYSA-N 1 0 378.502 1.408 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000821000665 599369550 /nfs/dbraw/zinc/36/95/50/599369550.db2.gz HQVMRWSTXNHOEN-LSDHHAIUSA-N 1 0 376.486 1.422 20 0 GDADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820753482 599371456 /nfs/dbraw/zinc/37/14/56/599371456.db2.gz YSKYHKRORQSPOZ-IINYFYTJSA-N 1 0 384.893 1.527 20 0 GDADRO C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820759617 599406410 /nfs/dbraw/zinc/40/64/10/599406410.db2.gz MGOOXMCKVHCNPO-QLFBSQMISA-N 1 0 387.488 1.726 20 0 GDADRO C[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820365903 599408506 /nfs/dbraw/zinc/40/85/06/599408506.db2.gz LNDFKPRLOWGUAK-OAHLLOKOSA-N 1 0 386.504 1.255 20 0 GDADRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCOC1 ZINC000820351438 599449405 /nfs/dbraw/zinc/44/94/05/599449405.db2.gz PEEDNLIWVMWJFV-MAUKXSAKSA-N 1 0 399.499 1.509 20 0 GDADRO COc1cccc(O[C@@H](C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000821871597 599454330 /nfs/dbraw/zinc/45/43/30/599454330.db2.gz BEOXUJRDFSZWKE-QWHCGFSZSA-N 1 0 384.444 1.171 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000738100649 599454599 /nfs/dbraw/zinc/45/45/99/599454599.db2.gz CHFMJSVKUSHBST-OAHLLOKOSA-N 1 0 385.472 1.167 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000820092492 599462353 /nfs/dbraw/zinc/46/23/53/599462353.db2.gz MSSSZPQYXHENDY-HNNXBMFYSA-N 1 0 391.451 1.162 20 0 GDADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC000821189665 599473720 /nfs/dbraw/zinc/47/37/20/599473720.db2.gz RKBIFIIXZJYNIP-UHFFFAOYSA-N 1 0 386.504 1.326 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NCCCC[NH+]3CCOCC3)c2c1 ZINC000822195608 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394.483 1.529 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C[C@@H]1C ZINC000820481202 599553273 /nfs/dbraw/zinc/55/32/73/599553273.db2.gz UAPLDUDZZUPEFK-QWHCGFSZSA-N 1 0 390.492 1.342 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821623275 599601284 /nfs/dbraw/zinc/60/12/84/599601284.db2.gz HZIUGYGDTQDNLQ-JTQLQIEISA-N 1 0 397.361 1.034 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000822314986 599601573 /nfs/dbraw/zinc/60/15/73/599601573.db2.gz XNZKZPXREFBJDU-HNNXBMFYSA-N 1 0 385.472 1.350 20 0 GDADRO COCCOC[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000821692343 599642963 /nfs/dbraw/zinc/64/29/63/599642963.db2.gz VKROZBYUPKATKA-LBPRGKRZSA-N 1 0 394.863 1.444 20 0 GDADRO C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358292 599674783 /nfs/dbraw/zinc/67/47/83/599674783.db2.gz MBDVPSYQKKJQAF-KSSFIOAISA-N 1 0 399.499 1.870 20 0 GDADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823791370 599689598 /nfs/dbraw/zinc/68/95/98/599689598.db2.gz CKGGMVKOTSBKBJ-UHFFFAOYSA-N 1 0 394.483 1.891 20 0 GDADRO CC(C)[NH+](CCCNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000820117039 599694463 /nfs/dbraw/zinc/69/44/63/599694463.db2.gz RUELTHYHQSYJMZ-UHFFFAOYSA-N 1 0 380.518 1.795 20 0 GDADRO CN1CCO[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821628672 599697917 /nfs/dbraw/zinc/69/79/17/599697917.db2.gz OBDORTCWWFWJBQ-KRWDZBQOSA-N 1 0 380.408 1.928 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CCSC1 ZINC000825851049 607459267 /nfs/dbraw/zinc/45/92/67/607459267.db2.gz SWXIDKMAJYIXFZ-KRWDZBQOSA-N 1 0 387.513 1.592 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000825866318 607471084 /nfs/dbraw/zinc/47/10/84/607471084.db2.gz VMWUHJCNLFZDKU-QGZVFWFLSA-N 1 0 394.483 1.216 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1)c1ccc(F)cc1 ZINC000826432270 607480569 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O=C(NCc1cnn(-c2ccc(Br)cc2)c1)NC[C@H]1COCC[NH2+]1 ZINC000529321396 649940171 /nfs/dbraw/zinc/94/01/71/649940171.db2.gz IAWVFTCSOVAVFF-AWEZNQCLSA-N 1 0 394.273 1.422 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000529325623 649940579 /nfs/dbraw/zinc/94/05/79/649940579.db2.gz RUBHIHNAVBNRSK-HZMBPMFUSA-N 1 0 387.267 1.386 20 0 GDADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000824893278 607667484 /nfs/dbraw/zinc/66/74/84/607667484.db2.gz PVDNLRDELSRNPQ-ZJUUUORDSA-N 1 0 382.877 1.424 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCc1ccc(Br)c(F)c1F ZINC000529343022 649940921 /nfs/dbraw/zinc/94/09/21/649940921.db2.gz OUDBUYVUYAMWAQ-JTQLQIEISA-N 1 0 377.233 1.430 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[nH]n3)CC[C@@H]21 ZINC000826033733 607673691 /nfs/dbraw/zinc/67/36/91/607673691.db2.gz ISKJOWWWIOSHBS-YPMHNXCESA-N 1 0 380.449 1.111 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nn[nH]n3)CC[C@@H]21 ZINC000826033334 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QQSBTNSZNJICBI-LMMKCTJWSA-N 1 0 388.512 1.840 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000833625351 605205989 /nfs/dbraw/zinc/20/59/89/605205989.db2.gz LEZKQABDMWAFFL-KRWDZBQOSA-N 1 0 388.512 1.055 20 0 GDADRO CN(CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)CC(C)(C)C[NH+]1CCOCC1 ZINC000825892870 607751207 /nfs/dbraw/zinc/75/12/07/607751207.db2.gz WVXINBGAAONJOR-UHFFFAOYSA-N 1 0 387.488 1.095 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)CC1(O)CCCC1 ZINC000824052945 607754925 /nfs/dbraw/zinc/75/49/25/607754925.db2.gz SYBOZIAQBMNFMX-LLVKDONJSA-N 1 0 390.513 1.981 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000826503725 607757052 /nfs/dbraw/zinc/75/70/52/607757052.db2.gz DRVIABZAOTZVAJ-SFHVURJKSA-N 1 0 387.484 1.745 20 0 GDADRO O=C(NCC[NH+]1CCC1)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000826437553 607765937 /nfs/dbraw/zinc/76/59/37/607765937.db2.gz QDKAQVVDPBANGX-UHFFFAOYSA-N 1 0 378.436 1.881 20 0 GDADRO Cn1ncc(I)c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530026409 649962951 /nfs/dbraw/zinc/96/29/51/649962951.db2.gz HYVHBDZQWBSKBP-LLVKDONJSA-N 1 0 388.253 1.771 20 0 GDADRO C[C@H](O)C[NH+]1CCC(CN(C)c2nc3ccccc3cc2-c2nn[nH]n2)CC1 ZINC000820480892 606073901 /nfs/dbraw/zinc/07/39/01/606073901.db2.gz QHRXMEFQHWRMTJ-AWEZNQCLSA-N 1 0 381.484 1.944 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821596824 606096998 /nfs/dbraw/zinc/09/69/98/606096998.db2.gz WDNRDMBUOXOZGE-LPHOPBHVSA-N 1 0 395.511 1.636 20 0 GDADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000822723607 606102338 /nfs/dbraw/zinc/10/23/38/606102338.db2.gz HSSLYYLFXKAJLR-LLVKDONJSA-N 1 0 383.378 1.439 20 0 GDADRO CC(C)(O)C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC000819991256 606112623 /nfs/dbraw/zinc/11/26/23/606112623.db2.gz CUEFYFQZACBOEF-UHFFFAOYSA-N 1 0 375.473 1.888 20 0 GDADRO C[C@]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000820420711 606115014 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387.889 1.283 20 0 GDADRO C[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@@H]1CCCN1c1cccnn1 ZINC000825992278 608684365 /nfs/dbraw/zinc/68/43/65/608684365.db2.gz SLURWLLKLUITMG-HNNXBMFYSA-N 1 0 390.455 1.405 20 0 GDADRO CCc1nn(C)cc1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825760396 608885199 /nfs/dbraw/zinc/88/51/99/608885199.db2.gz XPPRGTXDUZJMDC-UHFFFAOYSA-N 1 0 394.483 1.511 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547125 609144197 /nfs/dbraw/zinc/14/41/97/609144197.db2.gz MSLMHJFUFJAVGY-GDBMZVCRSA-N 1 0 389.479 1.063 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259038 609162053 /nfs/dbraw/zinc/16/20/53/609162053.db2.gz FQAXBUJOHAEUEA-KPZWWZAWSA-N 1 0 392.467 1.573 20 0 GDADRO Cc1cc(C(=O)NCC2=CC[N@H+](C)CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259437 609167951 /nfs/dbraw/zinc/16/79/51/609167951.db2.gz RZGATCFKGQRXGL-UHFFFAOYSA-N 1 0 378.440 1.353 20 0 GDADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826426381 609192637 /nfs/dbraw/zinc/19/26/37/609192637.db2.gz LXKOOZUDFJHKKH-RTBURBONSA-N 1 0 392.463 1.853 20 0 GDADRO C[C@@H](CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000824422436 609194417 /nfs/dbraw/zinc/19/44/17/609194417.db2.gz ZWEZETWGWSTDRQ-IFXJQAMLSA-N 1 0 392.463 1.463 20 0 GDADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 ZINC000825412768 609196515 /nfs/dbraw/zinc/19/65/15/609196515.db2.gz UGGRAWMDODNEKG-UHFFFAOYSA-N 1 0 383.456 1.845 20 0 GDADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825282682 609229855 /nfs/dbraw/zinc/22/98/55/609229855.db2.gz WEWVALAJNQVJPV-GOSISDBHSA-N 1 0 386.500 1.871 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257559 609231267 /nfs/dbraw/zinc/23/12/67/609231267.db2.gz HFTWLWBUEIVJSL-AWEZNQCLSA-N 1 0 380.456 1.385 20 0 GDADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)n(C)n1 ZINC000826269375 609241278 /nfs/dbraw/zinc/24/12/78/609241278.db2.gz JRJOFHPUZMNGLX-LRDDRELGSA-N 1 0 398.446 1.894 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000824978336 609242553 /nfs/dbraw/zinc/24/25/53/609242553.db2.gz VTKQMNVLZLOMSD-FZKQIMNGSA-N 1 0 383.500 1.722 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000826340535 609286474 /nfs/dbraw/zinc/28/64/74/609286474.db2.gz BKXSYRGARQRRKR-GFCCVEGCSA-N 1 0 381.440 1.939 20 0 GDADRO C[N@H+](CCC(=O)NCC(=O)c1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825915304 609295252 /nfs/dbraw/zinc/29/52/52/609295252.db2.gz XHERBTPUMBFACZ-UHFFFAOYSA-N 1 0 378.436 1.688 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CCC([N@H+](C)CCO)CC3)c2c1 ZINC000826263626 609317238 /nfs/dbraw/zinc/31/72/38/609317238.db2.gz KQLWPMKGUOBXDC-UHFFFAOYSA-N 1 0 381.484 1.925 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccccc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824650360 609318437 /nfs/dbraw/zinc/31/84/37/609318437.db2.gz QZWQVTWYKFGPEM-KGLIPLIRSA-N 1 0 390.513 1.798 20 0 GDADRO OCCCOC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826509904 609364933 /nfs/dbraw/zinc/36/49/33/609364933.db2.gz PGWMLPWXVNYIRH-UHFFFAOYSA-N 1 0 396.289 1.993 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824471034 609367290 /nfs/dbraw/zinc/36/72/90/609367290.db2.gz NJAOLRFURAFLAE-HIFRSBDPSA-N 1 0 397.483 1.574 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000826443315 609376396 /nfs/dbraw/zinc/37/63/96/609376396.db2.gz JYCMIHPCYHRKEV-INIZCTEOSA-N 1 0 381.440 1.082 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000826443316 609376707 /nfs/dbraw/zinc/37/67/07/609376707.db2.gz JYCMIHPCYHRKEV-MRXNPFEDSA-N 1 0 381.440 1.082 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826443459 609377120 /nfs/dbraw/zinc/37/71/20/609377120.db2.gz PXCBVAZYYUYRFI-INIZCTEOSA-N 1 0 381.440 1.082 20 0 GDADRO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000825909391 609379257 /nfs/dbraw/zinc/37/92/57/609379257.db2.gz XTOWJYMGKWWUJW-YUTCNCBUSA-N 1 0 376.486 1.516 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(-c2nn[nH]n2)cs1 ZINC000826442743 609416866 /nfs/dbraw/zinc/41/68/66/609416866.db2.gz JQMFJLJLNLFACM-HNNXBMFYSA-N 1 0 384.465 1.425 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000826357571 609497699 /nfs/dbraw/zinc/49/76/99/609497699.db2.gz KEDUVXWPLAMUHF-BPQIPLTHSA-N 1 0 391.479 1.846 20 0 GDADRO COC(=O)C1CC[NH+](CCCNc2ncc(Cl)c(C)c2-c2nn[nH]n2)CC1 ZINC000826133293 609534420 /nfs/dbraw/zinc/53/44/20/609534420.db2.gz LFWYTMIXTIEHIY-UHFFFAOYSA-N 1 0 393.879 1.911 20 0 GDADRO Cc1ccnc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1-c1nn[nH]n1 ZINC000826314225 609547714 /nfs/dbraw/zinc/54/77/14/609547714.db2.gz LZPXTSDSEQNKOP-UHFFFAOYSA-N 1 0 380.456 1.474 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000825411697 609552112 /nfs/dbraw/zinc/55/21/12/609552112.db2.gz CLWAHWQIBSXLIO-GFCCVEGCSA-N 1 0 384.893 1.625 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824975672 609555469 /nfs/dbraw/zinc/55/54/69/609555469.db2.gz KZGIRXAWSMJAMO-TVQRCGJNSA-N 1 0 382.877 1.281 20 0 GDADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532540971 650027090 /nfs/dbraw/zinc/02/70/90/650027090.db2.gz WVQCWROGIDSRGV-QWRGUYRKSA-N 1 0 379.258 1.543 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCNS(=O)(=O)c2cccs2)C[C@@H]1C ZINC000533340817 650049019 /nfs/dbraw/zinc/04/90/19/650049019.db2.gz WJHAVQDHXLVUSP-KBPBESRZSA-N 1 0 388.559 1.541 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)C[C@@H]1C ZINC000535740977 650255356 /nfs/dbraw/zinc/25/53/56/650255356.db2.gz UTGVCRFKQQGEJF-QWHCGFSZSA-N 1 0 388.559 1.459 20 0 GDADRO CS[C@@H]1CN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)C[C@H]1[NH+](C)C ZINC000536336220 650268386 /nfs/dbraw/zinc/26/83/86/650268386.db2.gz BXGRWZZRMRNBNN-ZIAGYGMSSA-N 1 0 380.905 1.498 20 0 GDADRO NC(=O)[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000536629670 650274492 /nfs/dbraw/zinc/27/44/92/650274492.db2.gz BMNDJNNGZYHVRG-CQSZACIVSA-N 1 0 389.315 1.780 20 0 GDADRO COc1cc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)cc(Br)c1O ZINC000536637898 650274826 /nfs/dbraw/zinc/27/48/26/650274826.db2.gz JUQJPOLFSXDIHH-JTQLQIEISA-N 1 0 380.260 1.067 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000536834929 650281382 /nfs/dbraw/zinc/28/13/82/650281382.db2.gz WMJNQGLECRBXRK-CYBMUJFWSA-N 1 0 391.559 1.305 20 0 GDADRO COCCCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000536976611 650285399 /nfs/dbraw/zinc/28/53/99/650285399.db2.gz GNUVDEPQUQNKRX-MRXNPFEDSA-N 1 0 377.551 1.340 20 0 GDADRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000537971466 650302809 /nfs/dbraw/zinc/30/28/09/650302809.db2.gz QKWAKUHYNSKIRX-HNNXBMFYSA-N 1 0 388.555 1.947 20 0 GDADRO CCC[NH+]1CCC(NC(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000538068254 650304712 /nfs/dbraw/zinc/30/47/12/650304712.db2.gz QRLGTVOCKAUPII-MRXNPFEDSA-N 1 0 375.535 1.096 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000539052667 650327613 /nfs/dbraw/zinc/32/76/13/650327613.db2.gz LGQPQWLCXZTRBD-DGCLKSJQSA-N 1 0 390.889 1.469 20 0 GDADRO COc1cc(Br)ccc1CCC(=O)NCCN1CC[NH+](C)CC1 ZINC000542015379 650397445 /nfs/dbraw/zinc/39/74/45/650397445.db2.gz KHBZVNJSEVDRHR-UHFFFAOYSA-N 1 0 384.318 1.754 20 0 GDADRO CC(C)N(CCCNC(=O)C[NH2+][C@@H](c1cccs1)C1CC1)S(C)(=O)=O ZINC000543439279 650422648 /nfs/dbraw/zinc/42/26/48/650422648.db2.gz BDFDTMIYDVQKAX-QGZVFWFLSA-N 1 0 387.571 1.965 20 0 GDADRO COC[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)C(C)C ZINC000543454164 650422850 /nfs/dbraw/zinc/42/28/50/650422850.db2.gz AVFUDWDRBPATIP-AWEZNQCLSA-N 1 0 386.290 1.764 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000543825728 650429986 /nfs/dbraw/zinc/42/99/86/650429986.db2.gz RQZBPYNNXZJZPP-HNNXBMFYSA-N 1 0 388.306 1.750 20 0 GDADRO COc1cc[nH+]c(N2CCN(c3ncc(I)cn3)CC2)c1 ZINC000545207870 650451900 /nfs/dbraw/zinc/45/19/00/650451900.db2.gz WZEXKXKSFQLPLO-UHFFFAOYSA-N 1 0 397.220 1.811 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000545862705 650462708 /nfs/dbraw/zinc/46/27/08/650462708.db2.gz UEVDRSRIMRYZSC-WMZOPIPTSA-N 1 0 396.329 1.769 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000545881449 650463745 /nfs/dbraw/zinc/46/37/45/650463745.db2.gz FRSXXKWUWBMOCL-PBHICJAKSA-N 1 0 383.901 1.038 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000545881451 650464002 /nfs/dbraw/zinc/46/40/02/650464002.db2.gz FRSXXKWUWBMOCL-WMLDXEAASA-N 1 0 383.901 1.038 20 0 GDADRO C[NH+](C)CC1(NC(=O)CS(=O)(=O)c2cccc(Br)c2)CCC1 ZINC000546696759 650483657 /nfs/dbraw/zinc/48/36/57/650483657.db2.gz FQWVQLZQPCSOHZ-UHFFFAOYSA-N 1 0 389.315 1.823 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNc1ncnc2cccc(I)c21 ZINC000546578791 650479401 /nfs/dbraw/zinc/47/94/01/650479401.db2.gz UQLHCBPVZQUTJZ-AWEZNQCLSA-N 1 0 386.237 1.959 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]C[C@@]2(O)CCOC2)c2cc(Br)ccc21 ZINC000547826316 650517065 /nfs/dbraw/zinc/51/70/65/650517065.db2.gz FCEGTARCILSVTK-JSGCOSHPSA-N 1 0 376.272 1.409 20 0 GDADRO CN1C[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC1=O ZINC000547826656 650517076 /nfs/dbraw/zinc/51/70/76/650517076.db2.gz WMGFWDYZSXVLBJ-DGCLKSJQSA-N 1 0 387.299 1.878 20 0 GDADRO COc1cc(OC)c(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1Br ZINC000548323485 650542864 /nfs/dbraw/zinc/54/28/64/650542864.db2.gz PRIXSUAYCKHPLJ-CYBMUJFWSA-N 1 0 384.274 1.795 20 0 GDADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)C2)C1 ZINC000549903210 650584851 /nfs/dbraw/zinc/58/48/51/650584851.db2.gz GHNVEMYAMBWYLZ-QGZVFWFLSA-N 1 0 386.539 1.338 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCN(CC(F)(F)F)CC1 ZINC000550079621 650588399 /nfs/dbraw/zinc/58/83/99/650588399.db2.gz NMRQIERYNNPVKM-UONOGXRCSA-N 1 0 385.496 1.910 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)s1 ZINC000550119498 650589310 /nfs/dbraw/zinc/58/93/10/650589310.db2.gz ALORANLXKUYAGK-UHFFFAOYSA-N 1 0 379.511 1.254 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000550685202 650596344 /nfs/dbraw/zinc/59/63/44/650596344.db2.gz VGSQPPVAIJBZQB-JTQLQIEISA-N 1 0 378.420 1.987 20 0 GDADRO COCCN(Cc1cccs1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550834534 650597275 /nfs/dbraw/zinc/59/72/75/650597275.db2.gz AJENORLLOYGSCH-QGZVFWFLSA-N 1 0 385.555 1.277 20 0 GDADRO CC[C@@H](Cn1cncn1)[NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000551267548 650603154 /nfs/dbraw/zinc/60/31/54/650603154.db2.gz REIPUOFRCLSWRC-AWEZNQCLSA-N 1 0 385.559 1.981 20 0 GDADRO C[C@@H](NC(=O)C1(c2cccc(Br)c2)CC1)C(=O)NCC[NH+](C)C ZINC000552302645 650622969 /nfs/dbraw/zinc/62/29/69/650622969.db2.gz CYDDHRKNEUBXAP-GFCCVEGCSA-N 1 0 382.302 1.663 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)CC1=O ZINC000552349892 650623949 /nfs/dbraw/zinc/62/39/49/650623949.db2.gz NVGKUWAELUWUBP-STQMWFEESA-N 1 0 387.933 1.800 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000552472371 650627077 /nfs/dbraw/zinc/62/70/77/650627077.db2.gz FBSKRKRMHFBNTD-CMPLNLGQSA-N 1 0 381.274 1.374 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000552944652 650635246 /nfs/dbraw/zinc/63/52/46/650635246.db2.gz LEEULZKIFBASHM-NHYWBVRUSA-N 1 0 396.285 1.712 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+](CC)C2CC2)cc1 ZINC000553481386 650648255 /nfs/dbraw/zinc/64/82/55/650648255.db2.gz OLHWUWROFVQZFT-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000553900023 650662991 /nfs/dbraw/zinc/66/29/91/650662991.db2.gz WJSBGISIWKZAPG-IAQYHMDHSA-N 1 0 388.295 1.637 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000554142615 650669378 /nfs/dbraw/zinc/66/93/78/650669378.db2.gz UTVCRACAZBOJGQ-NHYWBVRUSA-N 1 0 389.265 1.706 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(I)cnn2C)C[C@@H]1C ZINC000556305802 650702026 /nfs/dbraw/zinc/70/20/26/650702026.db2.gz AZOFZFBEKWITMF-WDEREUQCSA-N 1 0 390.269 1.970 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)C[NH+](C)C ZINC000556316388 650702313 /nfs/dbraw/zinc/70/23/13/650702313.db2.gz VSAPGTGNSCDBDI-JTQLQIEISA-N 1 0 386.265 1.791 20 0 GDADRO C[NH+]1CCN(C[C@@H](NS(=O)(=O)CCC(F)(F)F)c2ccccc2)CC1 ZINC000556369507 650703666 /nfs/dbraw/zinc/70/36/66/650703666.db2.gz SEAFERXITSLLLN-OAHLLOKOSA-N 1 0 379.448 1.847 20 0 GDADRO COc1ccc(COC[C@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000556578276 650706936 /nfs/dbraw/zinc/70/69/36/650706936.db2.gz NYZQIOXSJWNAKP-CYBMUJFWSA-N 1 0 386.495 1.071 20 0 GDADRO COc1cc(Br)c(C[NH2+]CCCn2cc(CO)nn2)c(OC)c1 ZINC000563720286 650738237 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CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@@H](C)[NH3+] ZINC000422945892 646101927 /nfs/dbraw/zinc/10/19/27/646101927.db2.gz VPDNILKKBVRTLQ-CZUORRHYSA-N 1 0 387.933 1.792 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000422989216 646105594 /nfs/dbraw/zinc/10/55/94/646105594.db2.gz KXQZRHYCAODOIN-JSGCOSHPSA-N 1 0 380.286 1.475 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)CC1 ZINC000422993966 646106217 /nfs/dbraw/zinc/10/62/17/646106217.db2.gz UJPODSHLDDGWQH-UHFFFAOYSA-N 1 0 382.302 1.866 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000422999080 646106847 /nfs/dbraw/zinc/10/68/47/646106847.db2.gz DPMWZAGCVYQEDT-QGZVFWFLSA-N 1 0 398.301 1.613 20 0 GDADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423100994 646114500 /nfs/dbraw/zinc/11/45/00/646114500.db2.gz NGLHWCYITNFAQY-OAHLLOKOSA-N 1 0 398.301 1.372 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2F)C[C@@H](C)[NH2+]1 ZINC000423232113 646119232 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CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH2+][C@H]2CSC[C@H]2C)cc1 ZINC000512180379 648398975 /nfs/dbraw/zinc/39/89/75/648398975.db2.gz ODFYXXJPIBZAKD-CJNGLKHVSA-N 1 0 385.555 1.997 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000512445624 648405958 /nfs/dbraw/zinc/40/59/58/648405958.db2.gz CWRPQWDBHRBERD-MRXNPFEDSA-N 1 0 376.567 1.277 20 0 GDADRO COCCN(CCOC)S(=O)(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512460180 648406595 /nfs/dbraw/zinc/40/65/95/648406595.db2.gz OTQJCNODGUPQPX-HOTGVXAUSA-N 1 0 377.551 1.069 20 0 GDADRO COC(=O)c1cc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c[nH]1 ZINC000512502055 648407868 /nfs/dbraw/zinc/40/78/68/648407868.db2.gz UILQUYXWNKWRMW-LBPRGKRZSA-N 1 0 383.495 1.663 20 0 GDADRO CN1CCN(C(=O)CC[NH2+][C@H](CCO)c2ccccc2Br)CC1 ZINC000514232550 648451111 /nfs/dbraw/zinc/45/11/11/648451111.db2.gz MXQABQRHJQGCEP-MRXNPFEDSA-N 1 0 384.318 1.626 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000514728416 648462789 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GDADRO COc1cc(C)c(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)cc1Cl ZINC000576453194 651664955 /nfs/dbraw/zinc/66/49/55/651664955.db2.gz QLOBQLRPSQYKKZ-UHFFFAOYSA-N 1 0 389.949 1.963 20 0 GDADRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC[C@@H]1[NH3+] ZINC000576611517 651675980 /nfs/dbraw/zinc/67/59/80/651675980.db2.gz FVUQJEABAUFEOH-UWVGGRQHSA-N 1 0 380.923 1.059 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)ccc1Cl ZINC000576768297 651685278 /nfs/dbraw/zinc/68/52/78/651685278.db2.gz PYVBITPBZJZAHU-LBPRGKRZSA-N 1 0 385.877 1.425 20 0 GDADRO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000576886644 651692991 /nfs/dbraw/zinc/69/29/91/651692991.db2.gz SXMMPAAQNVVDNK-HZPDHXFCSA-N 1 0 389.587 1.086 20 0 GDADRO COc1ccc(CCC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1Br ZINC000577236836 651718521 /nfs/dbraw/zinc/71/85/21/651718521.db2.gz UKFPZFGKSHTHRK-SFHVURJKSA-N 1 0 397.313 1.963 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000577610563 651741929 /nfs/dbraw/zinc/74/19/29/651741929.db2.gz LZFDFQDVOBGJFC-OCYKMNHNSA-N 1 0 386.265 1.802 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2cccc(F)c2F)CC1 ZINC000577627944 651744085 /nfs/dbraw/zinc/74/40/85/651744085.db2.gz MOCMSBWBDYJCMY-UHFFFAOYSA-N 1 0 375.441 1.234 20 0 GDADRO CN1CC[NH2+]C[C@H]1CN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000577740308 651749047 /nfs/dbraw/zinc/74/90/47/651749047.db2.gz UCFWCLAAJWSFNZ-DLBZAZTESA-N 1 0 376.302 1.822 20 0 GDADRO CS[C@H]1CN(c2ncccc2S(=O)(=O)NC(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000577810544 651754290 /nfs/dbraw/zinc/75/42/90/651754290.db2.gz AYMVJVIHAROXDS-GJZGRUSLSA-N 1 0 384.571 1.784 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c1OC ZINC000577849950 651757979 /nfs/dbraw/zinc/75/79/79/651757979.db2.gz NVFFKVQCAHPTKD-ZJUUUORDSA-N 1 0 376.862 1.506 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000578012637 651764996 /nfs/dbraw/zinc/76/49/96/651764996.db2.gz RSRWRZNFDLZGOB-KOLCDFICSA-N 1 0 375.878 1.665 20 0 GDADRO [NH3+][C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000578070748 651770882 /nfs/dbraw/zinc/77/08/82/651770882.db2.gz GDXCLZXPHXZULS-KLPPZKSPSA-N 1 0 392.308 1.564 20 0 GDADRO O=S1(=O)CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000578128158 651775216 /nfs/dbraw/zinc/77/52/16/651775216.db2.gz MGDHZSXXKKGPNZ-JSGCOSHPSA-N 1 0 392.315 1.603 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000578178322 651778500 /nfs/dbraw/zinc/77/85/00/651778500.db2.gz NGNBDFCNWQVABF-UHFFFAOYSA-N 1 0 392.319 1.649 20 0 GDADRO O=C(NCc1cc(Cl)cc(I)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000578628627 651801877 /nfs/dbraw/zinc/80/18/77/651801877.db2.gz MPKPLMGSYQOISA-WDEREUQCSA-N 1 0 380.613 1.284 20 0 GDADRO CN(C(=O)C(=O)NC1C[NH2+]C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000578865326 651820611 /nfs/dbraw/zinc/82/06/11/651820611.db2.gz CGIACYXBOWBHLT-GFCCVEGCSA-N 1 0 384.299 1.532 20 0 GDADRO COC(=O)c1cn(CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)nn1 ZINC000579102605 651838426 /nfs/dbraw/zinc/83/84/26/651838426.db2.gz KKAVBALQRNMLTH-LLVKDONJSA-N 1 0 389.239 1.401 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000579208483 651840704 /nfs/dbraw/zinc/84/07/04/651840704.db2.gz HVDKFHAHSNQWRY-MRVPVSSYSA-N 1 0 376.201 1.863 20 0 GDADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1cccnc1 ZINC000579240052 651844732 /nfs/dbraw/zinc/84/47/32/651844732.db2.gz YFWAOZVDVUJUMA-GDBMZVCRSA-N 1 0 381.270 1.950 20 0 GDADRO Cc1cc(Br)cc2cc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)oc21 ZINC000579259493 651847061 /nfs/dbraw/zinc/84/70/61/651847061.db2.gz WHTRHOSIPOBSSI-QWHCGFSZSA-N 1 0 392.253 1.888 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N(CCO)Cc1ccc(Br)s1 ZINC000579289736 651848204 /nfs/dbraw/zinc/84/82/04/651848204.db2.gz GQHOHSNVEDAPDE-UHFFFAOYSA-N 1 0 399.376 1.977 20 0 GDADRO CN1CCN(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)[C@@H](C[NH3+])C1 ZINC000579450398 651860175 /nfs/dbraw/zinc/86/01/75/651860175.db2.gz DDEPQEAMDAZRDM-JTQLQIEISA-N 1 0 384.868 2.104 20 0 GDADRO Cn1cc(Br)c(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)n1 ZINC000579572425 651868311 /nfs/dbraw/zinc/86/83/11/651868311.db2.gz KYUASQHVMMWVRK-GXTWGEPZSA-N 1 0 378.274 1.737 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCOc2ccc(Br)cc2C1 ZINC000579589875 651870134 /nfs/dbraw/zinc/87/01/34/651870134.db2.gz UWHKBQHMEGZVDU-CYBMUJFWSA-N 1 0 382.258 1.038 20 0 GDADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000579594510 651870575 /nfs/dbraw/zinc/87/05/75/651870575.db2.gz SEVLNAVIEDXHGB-CMPLNLGQSA-N 1 0 376.201 1.431 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000579933346 651886022 /nfs/dbraw/zinc/88/60/22/651886022.db2.gz XONNUPVYAZVYFV-UHFFFAOYSA-N 1 0 376.284 1.932 20 0 GDADRO C[C@H](C(=O)N(C)CC(C)(C)C[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000579942466 651886717 /nfs/dbraw/zinc/88/67/17/651886717.db2.gz BDKJHDNDEPNGOA-SNVBAGLBSA-N 1 0 396.285 1.877 20 0 GDADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000580193460 651903348 /nfs/dbraw/zinc/90/33/48/651903348.db2.gz DEGSDYLNWTXSNR-LBPRGKRZSA-N 1 0 391.921 1.846 20 0 GDADRO COC[C@@]1(CNC(=O)[C@](N)(c2cccc(Cl)c2)C(F)(F)F)CCC[NH2+]1 ZINC000580192719 651903389 /nfs/dbraw/zinc/90/33/89/651903389.db2.gz AHPUWRMIKJTMTR-LSDHHAIUSA-N 1 0 379.810 1.941 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000580435172 651916337 /nfs/dbraw/zinc/91/63/37/651916337.db2.gz OEQYWHRGMWSHHN-AAEUAGOBSA-N 1 0 397.324 1.604 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)CSCc1ccc(Br)cc1F ZINC000580434065 651916415 /nfs/dbraw/zinc/91/64/15/651916415.db2.gz SRJYXYVEGCMQBC-CYBMUJFWSA-N 1 0 390.322 1.841 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000580436157 651916420 /nfs/dbraw/zinc/91/64/20/651916420.db2.gz SLOLGPUYQFHYPZ-HUUCEWRRSA-N 1 0 389.539 1.801 20 0 GDADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1 ZINC000580592647 651928467 /nfs/dbraw/zinc/92/84/67/651928467.db2.gz ZHONBISBJMJLNM-CYBMUJFWSA-N 1 0 391.559 1.817 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000580761246 651937254 /nfs/dbraw/zinc/93/72/54/651937254.db2.gz NPJRMYTXWWCERE-DGCLKSJQSA-N 1 0 377.304 1.556 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc(Br)c3F)C[C@@H]12 ZINC000580821728 651941378 /nfs/dbraw/zinc/94/13/78/651941378.db2.gz WYMWCKPMUOIMQO-BCMRRPTOSA-N 1 0 388.212 1.862 20 0 GDADRO O=C(COC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000580831567 651942424 /nfs/dbraw/zinc/94/24/24/651942424.db2.gz BIXWVFSFYROGBE-CQSZACIVSA-N 1 0 382.302 1.913 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2cc(Cl)c(OC)cc2OC)CCC[NH2+]1 ZINC000580833314 651942472 /nfs/dbraw/zinc/94/24/72/651942472.db2.gz HOGIXWICWCZCAS-HNNXBMFYSA-N 1 0 378.878 1.404 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000581251027 651967273 /nfs/dbraw/zinc/96/72/73/651967273.db2.gz DUZZBZDGRQEHBL-MNOVXSKESA-N 1 0 388.281 1.879 20 0 GDADRO CC[NH2+]CCCNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000581309352 651970864 /nfs/dbraw/zinc/97/08/64/651970864.db2.gz MXTZOQAZAMFLHA-UHFFFAOYSA-N 1 0 392.319 1.233 20 0 GDADRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000582416077 651995163 /nfs/dbraw/zinc/99/51/63/651995163.db2.gz UZCYILGKKBSHAQ-HNNXBMFYSA-N 1 0 384.523 1.673 20 0 GDADRO C[C@@H](NC(=O)CCOc1cccc(Cl)c1Cl)C(=O)NCC[NH+](C)C ZINC000582430190 651996005 /nfs/dbraw/zinc/99/60/05/651996005.db2.gz QGTNNJYMOPVLQW-LLVKDONJSA-N 1 0 376.284 1.945 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000582486491 651999377 /nfs/dbraw/zinc/99/93/77/651999377.db2.gz NJOWCPXVQPCPRI-JTQLQIEISA-N 1 0 380.297 1.612 20 0 GDADRO CN1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)[C@H](C[NH3+])C1 ZINC000582536183 652002953 /nfs/dbraw/zinc/00/29/53/652002953.db2.gz HWRODTJIUPDSCT-GDBMZVCRSA-N 1 0 396.333 1.312 20 0 GDADRO O=C(CC[NH2+]C[C@H](O)CN1CCOCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000582660721 652009714 /nfs/dbraw/zinc/00/97/14/652009714.db2.gz JRPPYSMUBBRNRB-HNNXBMFYSA-N 1 0 376.284 1.605 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000583113127 652026470 /nfs/dbraw/zinc/02/64/70/652026470.db2.gz XGHPHHYSVFVRCF-HNNXBMFYSA-N 1 0 376.906 1.876 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)Cc1cccc(Br)c1 ZINC000583106448 652026527 /nfs/dbraw/zinc/02/65/27/652026527.db2.gz MPFATVWFYBAEGS-UHFFFAOYSA-N 1 0 392.363 1.752 20 0 GDADRO Cc1cc2cc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)oc2c(Br)c1 ZINC000583155605 652027566 /nfs/dbraw/zinc/02/75/66/652027566.db2.gz WAJAHHAVOAJLII-AAEUAGOBSA-N 1 0 392.253 1.888 20 0 GDADRO Cc1cc(Br)ccc1CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000583262251 652032737 /nfs/dbraw/zinc/03/27/37/652032737.db2.gz PPGITGRHRYZPLL-AWEZNQCLSA-N 1 0 382.302 1.614 20 0 GDADRO O=S(=O)(NCCCN1CC[NH2+]CC1)c1cc(Cl)ccc1C(F)(F)F ZINC000583266556 652033053 /nfs/dbraw/zinc/03/30/53/652033053.db2.gz NQIROVIHLZMZOQ-UHFFFAOYSA-N 1 0 385.839 1.932 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000583681643 652045279 /nfs/dbraw/zinc/04/52/79/652045279.db2.gz 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379.298 1.965 20 0 GDADRO Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)c1C ZINC000643992396 653593591 /nfs/dbraw/zinc/59/35/91/653593591.db2.gz KNGUWJSYRRTSOH-CYBMUJFWSA-N 1 0 375.441 1.737 20 0 GDADRO C[C@H](NC(=O)CCOC1C[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000643989025 653593607 /nfs/dbraw/zinc/59/36/07/653593607.db2.gz PIQXQIVRLSCTSH-JTQLQIEISA-N 1 0 385.258 1.776 20 0 GDADRO O=C(CCCOc1cccc(Br)c1)NCC(=O)N1CC[NH2+]CC1 ZINC000644098514 653595572 /nfs/dbraw/zinc/59/55/72/653595572.db2.gz SIUNNSPYTFDZHU-UHFFFAOYSA-N 1 0 384.274 1.156 20 0 GDADRO C[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000644130398 653595879 /nfs/dbraw/zinc/59/58/79/653595879.db2.gz PHKLRYSOTRMQPG-BMLIUANNSA-N 1 0 394.269 1.631 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1C[NH2+]CCC1(F)F ZINC000644150859 653596012 /nfs/dbraw/zinc/59/60/12/653596012.db2.gz OLTSJMCARWSYDT-JTQLQIEISA-N 1 0 399.822 1.118 20 0 GDADRO COc1cc(OC)c(NC(=O)c2cn(CCC[NH3+])nn2)cc1Br ZINC000644160567 653596070 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654031596 /nfs/dbraw/zinc/03/15/96/654031596.db2.gz ASKPKRANKZXPIS-UHFFFAOYSA-N 1 0 395.319 1.971 20 0 GDADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cccc(O)c2Br)C1=O ZINC000656504274 654031928 /nfs/dbraw/zinc/03/19/28/654031928.db2.gz SHXDTSHYBKJUCS-BDJLRTHQSA-N 1 0 382.258 1.965 20 0 GDADRO COC[C@H](CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1)OC ZINC000656706277 654047652 /nfs/dbraw/zinc/04/76/52/654047652.db2.gz XJBIGQRRGLESQW-ZDUSSCGKSA-N 1 0 380.304 1.864 20 0 GDADRO CO[C@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCOC1 ZINC000656704179 654047655 /nfs/dbraw/zinc/04/76/55/654047655.db2.gz GRDRDVSKIVGSNE-SGIREYDYSA-N 1 0 392.265 1.969 20 0 GDADRO COC1CCN(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000656890275 654065358 /nfs/dbraw/zinc/06/53/58/654065358.db2.gz UJPGWDJIUVXAFO-OAHLLOKOSA-N 1 0 387.571 1.905 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)C[C@H](C)CC(F)(F)F)CC1 ZINC000656899332 654067936 /nfs/dbraw/zinc/06/79/36/654067936.db2.gz WTCDYUHAUDWART-CYBMUJFWSA-N 1 0 387.468 1.391 20 0 GDADRO CO[C@H](CS(=O)(=O)N(CC[NH+](C)C)CC1CCCCC1)[C@H]1CCOC1 ZINC000656909220 654069975 /nfs/dbraw/zinc/06/99/75/654069975.db2.gz YWPGHHROLMSJIK-ZWKOTPCHSA-N 1 0 376.563 1.812 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ncccc1Br ZINC000656961614 654078850 /nfs/dbraw/zinc/07/88/50/654078850.db2.gz NDCNIPOOXMRZGU-GFCCVEGCSA-N 1 0 391.335 1.148 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000656995407 654091482 /nfs/dbraw/zinc/09/14/82/654091482.db2.gz VAEIUSQYLFAWJU-JOYOIKCWSA-N 1 0 393.278 1.921 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000657020083 654099549 /nfs/dbraw/zinc/09/95/49/654099549.db2.gz OPGNOOICZOVENY-LLVKDONJSA-N 1 0 377.869 1.361 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1=O ZINC000657020956 654100093 /nfs/dbraw/zinc/10/00/93/654100093.db2.gz KMRKWABVWBYMNK-UHFFFAOYSA-N 1 0 377.869 1.015 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000657033254 654104234 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COC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)C1CCOCC1 ZINC000658091123 654181638 /nfs/dbraw/zinc/18/16/38/654181638.db2.gz AIAKLXNCUYSSFP-HNNXBMFYSA-N 1 0 386.290 1.605 20 0 GDADRO O=S(=O)(Cc1cc(F)ccc1Br)NCCCN1CC[NH2+]CC1 ZINC000658359458 654185375 /nfs/dbraw/zinc/18/53/75/654185375.db2.gz AKOVLNUAWBSCJJ-UHFFFAOYSA-N 1 0 394.310 1.303 20 0 GDADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC[NH2+]CCOC ZINC000658377391 654186549 /nfs/dbraw/zinc/18/65/49/654186549.db2.gz RZKXWHQUUYZXES-UHFFFAOYSA-N 1 0 395.319 1.752 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC12CCOCC2 ZINC000658380744 654187607 /nfs/dbraw/zinc/18/76/07/654187607.db2.gz AUIYCQLZIVRCSG-CYBMUJFWSA-N 1 0 376.881 1.996 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CCCC1 ZINC000658390509 654189333 /nfs/dbraw/zinc/18/93/33/654189333.db2.gz SNEUWZCUAJQHFY-UHFFFAOYSA-N 1 0 379.404 1.529 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1Br ZINC000658404489 654190089 /nfs/dbraw/zinc/19/00/89/654190089.db2.gz TVXNHXFZCHKCMA-UHFFFAOYSA-N 1 0 388.287 1.438 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc1F ZINC000658406438 654190570 /nfs/dbraw/zinc/19/05/70/654190570.db2.gz MGTOEBZQRKJCRM-CYBMUJFWSA-N 1 0 381.495 1.239 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658469436 654194192 /nfs/dbraw/zinc/19/41/92/654194192.db2.gz CSDLIWPWZNVEIZ-NSHDSACASA-N 1 0 386.290 1.990 20 0 GDADRO CCN(C(=O)C(=O)N(C)Cc1ccc(Br)o1)[C@H]1CC[N@H+](CC)C1 ZINC000658830112 654208244 /nfs/dbraw/zinc/20/82/44/654208244.db2.gz PXXXBTVKMXLQMV-LBPRGKRZSA-N 1 0 386.290 1.943 20 0 GDADRO O=C(Nc1ccccc1Br)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658901460 654210925 /nfs/dbraw/zinc/21/09/25/654210925.db2.gz JXJMPWFHBCQFBX-ZDUSSCGKSA-N 1 0 396.285 1.445 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1 ZINC000659248874 654219150 /nfs/dbraw/zinc/21/91/50/654219150.db2.gz OQHPFOVHZYFHEX-CQSZACIVSA-N 1 0 393.285 1.470 20 0 GDADRO 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CN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662332935 654293164 /nfs/dbraw/zinc/29/31/64/654293164.db2.gz YZTHHTSUHABWJS-LLVKDONJSA-N 1 0 387.811 1.503 20 0 GDADRO CN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@H](C[NH3+])C(F)(F)F ZINC000662329116 654293204 /nfs/dbraw/zinc/29/32/04/654293204.db2.gz YVLZFNRNXHJPMC-SNVBAGLBSA-N 1 0 379.180 1.778 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1Br ZINC000662608287 654298150 /nfs/dbraw/zinc/29/81/50/654298150.db2.gz KVKUFUYOWRQHHR-UHFFFAOYSA-N 1 0 392.319 1.509 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662839624 654304839 /nfs/dbraw/zinc/30/48/39/654304839.db2.gz WBPOCGPQRHXQKC-OAHLLOKOSA-N 1 0 385.555 1.655 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000662842505 654304992 /nfs/dbraw/zinc/30/49/92/654304992.db2.gz LIBOARXHZXFNIS-UHFFFAOYSA-N 1 0 377.557 1.295 20 0 GDADRO COc1cc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)sc1S(N)(=O)=O ZINC000662843217 654305795 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GDADRO O=C(NCCNC(=O)c1ccc(Br)cn1)NCC[N@H+]1CC=CCC1 ZINC000665558979 654409467 /nfs/dbraw/zinc/40/94/67/654409467.db2.gz SBDAFXLWEHSTBL-UHFFFAOYSA-N 1 0 396.289 1.135 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000666385468 654426902 /nfs/dbraw/zinc/42/69/02/654426902.db2.gz HYHZBCHYRGWKEM-BZUAXINKSA-N 1 0 375.535 1.094 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(S(N)(=O)=O)s3)cc2)CC1 ZINC000731599472 654438048 /nfs/dbraw/zinc/43/80/48/654438048.db2.gz DRNOXZWXNKDJNX-UHFFFAOYSA-N 1 0 380.495 1.400 20 0 GDADRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1ccc(Cl)c(Br)c1 ZINC000667190285 654445551 /nfs/dbraw/zinc/44/55/51/654445551.db2.gz KEFKVFPNYNHPNB-UHFFFAOYSA-N 1 0 375.654 1.656 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000667404388 654448907 /nfs/dbraw/zinc/44/89/07/654448907.db2.gz NUNBZMYGOUBAHE-NOZJJQNGSA-N 1 0 390.267 1.905 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000769229587 654452464 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CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667540348 654454635 /nfs/dbraw/zinc/45/46/35/654454635.db2.gz IUBYIKRVBSDQRN-RISCZKNCSA-N 1 0 396.285 1.997 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cc(OC)c2)CC[C@H]1[NH3+] ZINC000667550683 654454863 /nfs/dbraw/zinc/45/48/63/654454863.db2.gz RECWJRWNYBYCCX-QMTHXVAHSA-N 1 0 384.274 1.982 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC[C@@H]1[NH3+] ZINC000667549026 654455030 /nfs/dbraw/zinc/45/50/30/654455030.db2.gz ZWIUWWAXIUSTRV-RISCZKNCSA-N 1 0 380.286 1.924 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000667560515 654456033 /nfs/dbraw/zinc/45/60/33/654456033.db2.gz DXGQSHATDAZDPB-ZCFIWIBFSA-N 1 0 399.167 1.187 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000731953949 654456096 /nfs/dbraw/zinc/45/60/96/654456096.db2.gz WAVVRCWHAHNSIY-INIZCTEOSA-N 1 0 384.571 1.531 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2cnc(Cl)n2C)CC1 ZINC000769402039 654460137 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Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN1CCSCC1 ZINC000732823259 654489530 /nfs/dbraw/zinc/48/95/30/654489530.db2.gz YNBHQABBQWOAGQ-ZDUSSCGKSA-N 1 0 392.978 1.343 20 0 GDADRO O=C(NCCNC(=O)c1cccc(Br)c1)N[C@H]1CCC[NH2+]CC1 ZINC000669437103 654504950 /nfs/dbraw/zinc/50/49/50/654504950.db2.gz RUDSJQVGXKPDFI-AWEZNQCLSA-N 1 0 383.290 1.620 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000672005039 654548057 /nfs/dbraw/zinc/54/80/57/654548057.db2.gz RTNHMKJJESNFLM-UHFFFAOYSA-N 1 0 398.301 1.627 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)s1 ZINC000772008525 654554228 /nfs/dbraw/zinc/55/42/28/654554228.db2.gz ZZMYXHCPNCWFDQ-ZDUSSCGKSA-N 1 0 389.543 1.934 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)CC)ccc2Cl)CC1 ZINC000735658330 654568815 /nfs/dbraw/zinc/56/88/15/654568815.db2.gz CKSLYNCBNBPELQ-UHFFFAOYSA-N 1 0 387.933 1.501 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)Oc1ccccc1Br ZINC000673249569 654572220 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CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000674029994 654587253 /nfs/dbraw/zinc/58/72/53/654587253.db2.gz HYWYNGBLHFDXBB-LSDHHAIUSA-N 1 0 377.551 1.246 20 0 GDADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674464940 654600367 /nfs/dbraw/zinc/60/03/67/654600367.db2.gz HWNDBLHRMUQVSB-TUAOUCFPSA-N 1 0 380.666 1.270 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000674607892 654605142 /nfs/dbraw/zinc/60/51/42/654605142.db2.gz FLCXGHYIXKBPLK-VHSXEESVSA-N 1 0 378.420 1.940 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000774108287 654611690 /nfs/dbraw/zinc/61/16/90/654611690.db2.gz LZGZJRAGKCAOJF-YPMHNXCESA-N 1 0 381.274 1.834 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000737239402 654615165 /nfs/dbraw/zinc/61/51/65/654615165.db2.gz JTUKQFDEFMJKJD-SNVBAGLBSA-N 1 0 398.257 1.227 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000774248895 654619099 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O=C1NCC2(CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)O1 ZINC000781991638 654822046 /nfs/dbraw/zinc/82/20/46/654822046.db2.gz GSMNKVVAMCAEJW-CYBMUJFWSA-N 1 0 385.258 1.763 20 0 GDADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749347986 654829445 /nfs/dbraw/zinc/82/94/45/654829445.db2.gz WXKFWWYQWYXOCY-UHFFFAOYSA-N 1 0 381.278 1.885 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000749407874 654833113 /nfs/dbraw/zinc/83/31/13/654833113.db2.gz QYDYHQBEWHJNDQ-LBPRGKRZSA-N 1 0 393.289 1.839 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749401297 654833136 /nfs/dbraw/zinc/83/31/36/654833136.db2.gz YGSZYKYDMAKZCT-RISCZKNCSA-N 1 0 393.289 1.837 20 0 GDADRO COC[C@@]1(C(=O)Nc2ccc(C)c(I)c2)C[NH2+]CCO1 ZINC000710790689 654834937 /nfs/dbraw/zinc/83/49/37/654834937.db2.gz CCNYGOGPVUUAQZ-CQSZACIVSA-N 1 0 390.221 1.543 20 0 GDADRO Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1I ZINC000715553885 654836489 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1 0 379.935 1.670 20 0 GDADRO C[C@H](CNC(=S)NCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCCC[C@H]1C ZINC000726461286 654853444 /nfs/dbraw/zinc/85/34/44/654853444.db2.gz YZOGEDBETOBGFJ-ZIAGYGMSSA-N 1 0 384.571 1.561 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000727067665 654863403 /nfs/dbraw/zinc/86/34/03/654863403.db2.gz OAPJXCTXFBJPAI-LSDHHAIUSA-N 1 0 391.603 1.117 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NCCS(=O)(=O)NCc1ccccc1 ZINC000727075774 654864897 /nfs/dbraw/zinc/86/48/97/654864897.db2.gz UGXDFMHTEZVXNB-UHFFFAOYSA-N 1 0 386.587 1.158 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC[N@H+](C)C1CCCC1 ZINC000751076915 654871578 /nfs/dbraw/zinc/87/15/78/654871578.db2.gz ZJZDRSRLCWCFKA-UHFFFAOYSA-N 1 0 375.878 1.674 20 0 GDADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)CC1 ZINC000751119950 654873234 /nfs/dbraw/zinc/87/32/34/654873234.db2.gz JXWAMWLILIPPSH-UHFFFAOYSA-N 1 0 376.425 1.762 20 0 GDADRO CS(=O)(=O)CC[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000727645065 654876534 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O=C(NCCCN1CC[NH2+]CC1)Nc1cnc(Cl)c(Br)c1 ZINC000841189941 655312972 /nfs/dbraw/zinc/31/29/72/655312972.db2.gz CHANVZVOANLXNN-UHFFFAOYSA-N 1 0 376.686 1.914 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841215606 655314995 /nfs/dbraw/zinc/31/49/95/655314995.db2.gz PLYDSEANGDONHU-UHFFFAOYSA-N 1 0 396.241 1.195 20 0 GDADRO O=C(Nc1cc2ccccc2nc1Br)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000841229607 655315874 /nfs/dbraw/zinc/31/58/74/655315874.db2.gz ZOEUPBZEEXJPMY-TXEJJXNPSA-N 1 0 389.253 1.614 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841235562 655316512 /nfs/dbraw/zinc/31/65/12/655316512.db2.gz UTECVCBXBRRNHJ-MRXNPFEDSA-N 1 0 381.274 1.693 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000841260607 655318065 /nfs/dbraw/zinc/31/80/65/655318065.db2.gz WOAMZIPOSWDEQC-RYUDHWBXSA-N 1 0 381.274 1.631 20 0 GDADRO C[C@H]1OC(=O)N[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000841386539 655320501 /nfs/dbraw/zinc/32/05/01/655320501.db2.gz OYGVQOMYLCCHSM-RISCZKNCSA-N 1 0 384.274 1.836 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841410266 655322059 /nfs/dbraw/zinc/32/20/59/655322059.db2.gz WHXVUTBCUKKMOK-MRXNPFEDSA-N 1 0 383.242 1.598 20 0 GDADRO C[NH+]1CCC(ONC(=O)c2ccc(I)c(O)c2)CC1 ZINC000816533093 655328611 /nfs/dbraw/zinc/32/86/11/655328611.db2.gz ITGCOQZVHZNOPY-UHFFFAOYSA-N 1 0 376.194 1.752 20 0 GDADRO COCCN(CC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000816559378 655329167 /nfs/dbraw/zinc/32/91/67/655329167.db2.gz IAVWWSGDFSCIET-LSDHHAIUSA-N 1 0 378.535 1.815 20 0 GDADRO COCCN(CC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000816559377 655329211 /nfs/dbraw/zinc/32/92/11/655329211.db2.gz IAVWWSGDFSCIET-HUUCEWRRSA-N 1 0 378.535 1.815 20 0 GDADRO COc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)nc1I ZINC000816767769 655335874 /nfs/dbraw/zinc/33/58/74/655335874.db2.gz FRIMNIWCPCDFHA-ONGXEEELSA-N 1 0 389.237 1.859 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)c(F)cc1Cl ZINC000841523392 655336716 /nfs/dbraw/zinc/33/67/16/655336716.db2.gz BRJNFVCPEMXNFG-JTQLQIEISA-N 1 0 378.853 1.886 20 0 GDADRO Cc1nc(Br)sc1C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000816971728 655340131 /nfs/dbraw/zinc/34/01/31/655340131.db2.gz OMIVHSQZFWKANP-SNVBAGLBSA-N 1 0 375.336 1.970 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000816974752 655340315 /nfs/dbraw/zinc/34/03/15/655340315.db2.gz MTHKMCLSGLFHNF-UHFFFAOYSA-N 1 0 375.698 1.865 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)Nc2ccnc(Br)c2C)CC[N@H+](C)C1 ZINC000841723375 655352678 /nfs/dbraw/zinc/35/26/78/655352678.db2.gz NTEYYQFYBFIECN-LLVKDONJSA-N 1 0 385.262 1.721 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000841814713 655354038 /nfs/dbraw/zinc/35/40/38/655354038.db2.gz XPPAJUGYTYHANQ-DGCLKSJQSA-N 1 0 382.477 1.162 20 0 GDADRO CCC[NH2+]CCNC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000841961160 655354841 /nfs/dbraw/zinc/35/48/41/655354841.db2.gz MQTVVZMWJBOXBJ-UHFFFAOYSA-N 1 0 391.335 1.898 20 0 GDADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000842185266 655358057 /nfs/dbraw/zinc/35/80/57/655358057.db2.gz YHFMTLXZUOKJKW-OAGGEKHMSA-N 1 0 377.535 1.402 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(Br)cc2F)CC[NH2+]1 ZINC000842217196 655359527 /nfs/dbraw/zinc/35/95/27/655359527.db2.gz UNDUUPQCDQCHIH-ZWNOBZJWSA-N 1 0 386.265 1.504 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000842253411 655360451 /nfs/dbraw/zinc/36/04/51/655360451.db2.gz TYAMBUGJHVTVFO-MRXNPFEDSA-N 1 0 396.289 1.462 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1)C1CC1 ZINC000842257889 655360560 /nfs/dbraw/zinc/36/05/60/655360560.db2.gz PRQUUGPOXCUCCM-LSDHHAIUSA-N 1 0 396.285 1.203 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](c3ccccc3Br)C2)C[C@H]1[NH3+] ZINC000817944581 655362774 /nfs/dbraw/zinc/36/27/74/655362774.db2.gz HGQRHWDRSDVBRR-DFBGVHRSSA-N 1 0 396.285 1.155 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000817944664 655362780 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SGIPZLDSEOGVDE-KCPJHIHWSA-N 1 0 398.301 1.137 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1Cl ZINC000818005851 655364362 /nfs/dbraw/zinc/36/43/62/655364362.db2.gz VYWUFIPTDPCWHT-CYBMUJFWSA-N 1 0 375.878 1.331 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000842476925 655366623 /nfs/dbraw/zinc/36/66/23/655366623.db2.gz XEDFAVPEECYFSB-ZDUSSCGKSA-N 1 0 375.441 1.599 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(Br)o1 ZINC000842479931 655366763 /nfs/dbraw/zinc/36/67/63/655366763.db2.gz JPIVKPHDAZRTHJ-HTQZYQBOSA-N 1 0 381.248 1.234 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C[C@@]1(C)C[NH3+] ZINC000842483718 655367703 /nfs/dbraw/zinc/36/77/03/655367703.db2.gz RDCFIYLDESCGMN-QMTHXVAHSA-N 1 0 382.454 1.288 20 0 GDADRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000818130574 655367982 /nfs/dbraw/zinc/36/79/82/655367982.db2.gz PLVJWIZRECTQKV-ZFWWWQNUSA-N 1 0 384.267 1.973 20 0 GDADRO O=C(c1ccc2ncc(I)n2c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512661 655368503 /nfs/dbraw/zinc/36/85/03/655368503.db2.gz LLGOXNJFLJICMN-HNNXBMFYSA-N 1 0 396.232 1.907 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc3ncc(I)n3c2)C[C@@]1(C)C[NH3+] ZINC000842510483 655368601 /nfs/dbraw/zinc/36/86/01/655368601.db2.gz RAAZDTZNXIYFIG-MEBBXXQBSA-N 1 0 398.248 1.996 20 0 GDADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000842678729 655370809 /nfs/dbraw/zinc/37/08/09/655370809.db2.gz CHOGRTHEJKJZNK-LLVKDONJSA-N 1 0 380.919 1.364 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCC(C[NH3+])CC2)c1 ZINC000842687298 655371258 /nfs/dbraw/zinc/37/12/58/655371258.db2.gz VYSNUZTXDGBBGF-UHFFFAOYSA-N 1 0 391.287 1.595 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842694397 655371551 /nfs/dbraw/zinc/37/15/51/655371551.db2.gz OUZYCPWCGHTFRB-SECBINFHSA-N 1 0 382.711 1.869 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000842693093 655371581 /nfs/dbraw/zinc/37/15/81/655371581.db2.gz CIZVGTVOQICCAC-NSHDSACASA-N 1 0 395.934 1.011 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@H](C[NH3+])C2CC2)s1 ZINC000842728505 655374014 /nfs/dbraw/zinc/37/40/14/655374014.db2.gz HQFPSVVEADMDPX-MRVPVSSYSA-N 1 0 383.289 1.313 20 0 GDADRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(CCNC(=O)OC)s2)CC1 ZINC000842710610 655372798 /nfs/dbraw/zinc/37/27/98/655372798.db2.gz PXCCQRSHJUZUTM-UHFFFAOYSA-N 1 0 375.516 1.267 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)ccc1Br ZINC000842713430 655372892 /nfs/dbraw/zinc/37/28/92/655372892.db2.gz CUOLECYKZRMNHI-VIFPVBQESA-N 1 0 377.260 1.218 20 0 GDADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842718586 655373286 /nfs/dbraw/zinc/37/32/86/655373286.db2.gz IQOQTEMZNXDFGX-SSDOTTSWSA-N 1 0 381.683 1.718 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC[C@H]1[NH3+] ZINC000842720073 655373369 /nfs/dbraw/zinc/37/33/69/655373369.db2.gz QTUBJDOJVCRJTR-NXEZZACHSA-N 1 0 386.417 1.338 20 0 GDADRO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC(C)(C)[NH3+])cc21 ZINC000842731139 655374165 /nfs/dbraw/zinc/37/41/65/655374165.db2.gz OBZYGTPBFYPFIR-UHFFFAOYSA-N 1 0 390.303 1.374 20 0 GDADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000842737495 655374510 /nfs/dbraw/zinc/37/45/10/655374510.db2.gz VRTTZPUGOVPIHW-UHFFFAOYSA-N 1 0 386.948 1.695 20 0 GDADRO Cn1cc([C@@H]2CN(Cc3nc4ccccn4c3Br)C[C@H]2[NH3+])cn1 ZINC000818431270 655374600 /nfs/dbraw/zinc/37/46/00/655374600.db2.gz ICOFWLDOZNXWBV-QWHCGFSZSA-N 1 0 375.274 1.757 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000818563063 655376306 /nfs/dbraw/zinc/37/63/06/655376306.db2.gz BHZFMZWNVJUYOW-NXEZZACHSA-N 1 0 375.288 1.662 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1Cl ZINC000818554123 655376339 /nfs/dbraw/zinc/37/63/39/655376339.db2.gz JEGGKXOEIDGXJN-QWRGUYRKSA-N 1 0 375.878 1.344 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000842774156 655376378 /nfs/dbraw/zinc/37/63/78/655376378.db2.gz ZBPJHUNDDQXDOS-UHFFFAOYSA-N 1 0 391.287 1.738 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818589805 655376789 /nfs/dbraw/zinc/37/67/89/655376789.db2.gz GTXOFKYVFVXOSH-RULNRJAQSA-N 1 0 389.315 1.969 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000842793122 655377572 /nfs/dbraw/zinc/37/75/72/655377572.db2.gz ILQIASMDQYLPHV-ZJUUUORDSA-N 1 0 391.287 1.594 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)cc1F ZINC000842797858 655377912 /nfs/dbraw/zinc/37/79/12/655377912.db2.gz OJIMTMNYZCDOPA-UHFFFAOYSA-N 1 0 391.490 1.136 20 0 GDADRO Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)NC[C@H](C)[NH3+])cc2)cc1 ZINC000842801775 655378150 /nfs/dbraw/zinc/37/81/50/655378150.db2.gz LQWFZBAJHRADFX-ZDUSSCGKSA-N 1 0 384.479 1.388 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c(Br)o1 ZINC000842838351 655380611 /nfs/dbraw/zinc/38/06/11/655380611.db2.gz MGCAIGQXOYTUFP-SECBINFHSA-N 1 0 395.275 1.578 20 0 GDADRO O=S(=O)(/C=C\c1ccccc1F)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000842851817 655381002 /nfs/dbraw/zinc/38/10/02/655381002.db2.gz IULKHJFNZLHIGL-XTXQVDMPSA-N 1 0 381.395 1.552 20 0 GDADRO COC[C@]1(CNS(=O)(=O)c2ccc3nc(Cl)sc3c2)CCC[NH2+]1 ZINC000842860112 655381386 /nfs/dbraw/zinc/38/13/86/655381386.db2.gz ZEVOWJJVEXMENE-CQSZACIVSA-N 1 0 375.903 1.997 20 0 GDADRO O=C(CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)N1CCOCC1 ZINC000818946592 655382019 /nfs/dbraw/zinc/38/20/19/655382019.db2.gz BEDJXHAVQWPPCF-CQSZACIVSA-N 1 0 375.238 1.460 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C(F)F ZINC000842877148 655382026 /nfs/dbraw/zinc/38/20/26/655382026.db2.gz VYUDDCVMOVARFG-GHMZBOCLSA-N 1 0 380.438 1.055 20 0 GDADRO C[C@@H]1CCCN(C(C)(C)C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C1 ZINC000818973397 655382613 /nfs/dbraw/zinc/38/26/13/655382613.db2.gz PJUUAQDHUQYWHF-OAHLLOKOSA-N 1 0 376.563 1.843 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000818981978 655382672 /nfs/dbraw/zinc/38/26/72/655382672.db2.gz AXFCKENZBLJTCO-HNNXBMFYSA-N 1 0 380.432 1.740 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000818981979 655382754 /nfs/dbraw/zinc/38/27/54/655382754.db2.gz AXFCKENZBLJTCO-OAHLLOKOSA-N 1 0 380.432 1.740 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000818998565 655382833 /nfs/dbraw/zinc/38/28/33/655382833.db2.gz SJVGANDODNJFPJ-CQSZACIVSA-N 1 0 382.404 1.634 20 0 GDADRO O=C1OCCN1CCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000819012032 655383066 /nfs/dbraw/zinc/38/30/66/655383066.db2.gz FUPMKAGCJOOGND-UHFFFAOYSA-N 1 0 391.287 1.655 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c(Cl)s1 ZINC000842895709 655383501 /nfs/dbraw/zinc/38/35/01/655383501.db2.gz PIJQZHRFJFUFKY-VIFPVBQESA-N 1 0 386.948 1.616 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000819037082 655383565 /nfs/dbraw/zinc/38/35/65/655383565.db2.gz LIVMKXHKHCKQCN-MRXNPFEDSA-N 1 0 398.301 1.153 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCCCCC[NH3+])c1OC ZINC000842917504 655383993 /nfs/dbraw/zinc/38/39/93/655383993.db2.gz VTYSMBVYQQZUBG-UHFFFAOYSA-N 1 0 378.878 1.933 20 0 GDADRO COCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)CC2 ZINC000819154209 655387013 /nfs/dbraw/zinc/38/70/13/655387013.db2.gz PJPHJMKCDZSFDA-KGLIPLIRSA-N 1 0 381.274 1.825 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]C[C@H]2CCCS2(=O)=O)CC1 ZINC000819171702 655387420 /nfs/dbraw/zinc/38/74/20/655387420.db2.gz MHAXCGDCVUKTII-RHSMWYFYSA-N 1 0 376.519 1.305 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]C[C@H]2CCCS2(=O)=O)CC1 ZINC000819172167 655387421 /nfs/dbraw/zinc/38/74/21/655387421.db2.gz VUMODINHRQLHLZ-HUUCEWRRSA-N 1 0 376.519 1.161 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)COc1ccc(Br)cc1)CC1CC1 ZINC000819174466 655387422 /nfs/dbraw/zinc/38/74/22/655387422.db2.gz UBOISWHMWYEXQD-AWEZNQCLSA-N 1 0 392.315 1.603 20 0 GDADRO COC(=O)N1CC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000819177955 655387558 /nfs/dbraw/zinc/38/75/58/655387558.db2.gz OAIGUZMNMFBTNP-NSHDSACASA-N 1 0 393.665 1.882 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819187327 655387924 /nfs/dbraw/zinc/38/79/24/655387924.db2.gz HUMZNSHZZNVBCV-FZMZJTMJSA-N 1 0 382.404 1.490 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000843074514 655388003 /nfs/dbraw/zinc/38/80/03/655388003.db2.gz FYUKXQWUQFNAPX-ZIAGYGMSSA-N 1 0 389.290 1.958 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1cccs1 ZINC000843097134 655388283 /nfs/dbraw/zinc/38/82/83/655388283.db2.gz ILYWKTKMWWDLAH-FZMZJTMJSA-N 1 0 377.434 1.484 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1cccs1 ZINC000843097136 655388286 /nfs/dbraw/zinc/38/82/86/655388286.db2.gz ILYWKTKMWWDLAH-SMDDNHRTSA-N 1 0 377.434 1.484 20 0 GDADRO Cn1cc(C[C@@H](CO)C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cn1 ZINC000843110815 655388626 /nfs/dbraw/zinc/38/86/26/655388626.db2.gz BIWXWJJEYQGBBA-WBMJQRKESA-N 1 0 386.265 1.796 20 0 GDADRO C[C@@](O)(C[NH2+]CCC1CS(=O)(=O)C1)c1ccc(Br)cc1F ZINC000819256447 655388835 /nfs/dbraw/zinc/38/88/35/655388835.db2.gz KSTIXPPWOPVYGQ-CQSZACIVSA-N 1 0 380.279 1.820 20 0 GDADRO Cn1cc(C[C@@H](CO)[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)cn1 ZINC000843117120 655388929 /nfs/dbraw/zinc/38/89/29/655388929.db2.gz USBGMSAFKRWUED-BBRMVZONSA-N 1 0 386.265 1.722 20 0 GDADRO Ic1ccc(OCc2noc([C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000843226753 655390024 /nfs/dbraw/zinc/39/00/24/655390024.db2.gz HXYQTWUDBFJADP-NSHDSACASA-N 1 0 387.177 1.914 20 0 GDADRO COc1ccc(CNC(=O)C(=O)NCCCCCC[NH3+])cc1Br ZINC000843260494 655390158 /nfs/dbraw/zinc/39/01/58/655390158.db2.gz WWMHWZCMZHIWGT-UHFFFAOYSA-N 1 0 386.290 1.709 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccccc1Br)C1CCOCC1 ZINC000819348393 655390406 /nfs/dbraw/zinc/39/04/06/655390406.db2.gz DDIJQTQZDXVGNJ-HNNXBMFYSA-N 1 0 392.315 1.666 20 0 GDADRO CC(=O)N[C@@]1(c2nc([C@H]3CCCN3C(=O)C(F)(F)F)cs2)CC[NH2+]C1 ZINC000843290653 655391076 /nfs/dbraw/zinc/39/10/76/655391076.db2.gz ZMFPLWLDNATBLJ-RISCZKNCSA-N 1 0 376.404 1.694 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000843334934 655392825 /nfs/dbraw/zinc/39/28/25/655392825.db2.gz GBJFLRWOWWGEKE-AWEZNQCLSA-N 1 0 375.516 1.024 20 0 GDADRO C[NH2+]CC1CCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 ZINC000843339137 655392959 /nfs/dbraw/zinc/39/29/59/655392959.db2.gz FRRKQOJAWMKGLV-UHFFFAOYSA-N 1 0 396.332 1.230 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843345180 655393118 /nfs/dbraw/zinc/39/31/18/655393118.db2.gz YDPZEFCETYXRCW-VXGBXAGGSA-N 1 0 376.910 1.282 20 0 GDADRO C[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]1C[NH3+] ZINC000843353428 655393496 /nfs/dbraw/zinc/39/34/96/655393496.db2.gz HXLGTHDDPVSTKP-BXUZGUMPSA-N 1 0 375.441 1.681 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000843353481 655393533 /nfs/dbraw/zinc/39/35/33/655393533.db2.gz KCOPLBQPWOSFDM-NEPJUHHUSA-N 1 0 375.441 1.681 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843356239 655393605 /nfs/dbraw/zinc/39/36/05/655393605.db2.gz ITTUEBYUVIHOEV-OLZOCXBDSA-N 1 0 390.937 1.624 20 0 GDADRO CN(CC(=O)Nc1ccccc1Br)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843363582 655393809 /nfs/dbraw/zinc/39/38/09/655393809.db2.gz ZQSABBRNVKGZRT-GFCCVEGCSA-N 1 0 384.274 1.615 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843398423 655394259 /nfs/dbraw/zinc/39/42/59/655394259.db2.gz YSEITXBGLDSKTN-HUUCEWRRSA-N 1 0 377.551 1.893 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000843470839 655395856 /nfs/dbraw/zinc/39/58/56/655395856.db2.gz DYKYAJLVMREVEB-UHFFFAOYSA-N 1 0 389.905 1.137 20 0 GDADRO C[C@H](CC(=O)Nc1ccccc1C(=O)NCC[NH3+])n1cc(Br)cn1 ZINC000843474710 655396077 /nfs/dbraw/zinc/39/60/77/655396077.db2.gz VYQIKDFITZTTAH-LLVKDONJSA-N 1 0 394.273 1.924 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000843477923 655396259 /nfs/dbraw/zinc/39/62/59/655396259.db2.gz CCWARWIQJDACEX-JTQLQIEISA-N 1 0 375.441 1.653 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1CC12CC[NH2+]CC2)NS(=O)(=O)c1cccnc1Cl ZINC000843478513 655396312 /nfs/dbraw/zinc/39/63/12/655396312.db2.gz HLTQOJTXEQFTEF-AAEUAGOBSA-N 1 0 386.905 1.050 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F)C(F)F ZINC000843484531 655396631 /nfs/dbraw/zinc/39/66/31/655396631.db2.gz SLYJTKTWIZODRB-SECBINFHSA-N 1 0 383.367 1.118 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000843486667 655396754 /nfs/dbraw/zinc/39/67/54/655396754.db2.gz IMYFREUBXBONHU-IUCAKERBSA-N 1 0 378.292 1.165 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000843494124 655396844 /nfs/dbraw/zinc/39/68/44/655396844.db2.gz YWUUCBONCYCDIF-GDBMZVCRSA-N 1 0 396.285 1.217 20 0 GDADRO CCn1ncc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1Br ZINC000820027937 655401581 /nfs/dbraw/zinc/40/15/81/655401581.db2.gz IXUUEIFSZHEVKQ-ZDUSSCGKSA-N 1 0 384.322 1.518 20 0 GDADRO CN(CCCC[NH+](C)C)C(=O)c1cnc(I)c([O-])c1 ZINC000820135737 655403630 /nfs/dbraw/zinc/40/36/30/655403630.db2.gz SKJPCFFKQUWZSR-UHFFFAOYSA-N 1 0 377.226 1.806 20 0 GDADRO CCCN(C(=O)c1cnn(C)c1I)[C@H]1CC[N@H+](C)C1 ZINC000843986846 655404248 /nfs/dbraw/zinc/40/42/48/655404248.db2.gz CJZSBFWKJIFHQK-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000844039307 655405714 /nfs/dbraw/zinc/40/57/14/655405714.db2.gz PXWFDKZHYMNJCU-XHDPSFHLSA-N 1 0 396.285 1.331 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)c(C)c1Cl ZINC000844227447 655408725 /nfs/dbraw/zinc/40/87/25/655408725.db2.gz YYUFWJVHUMCAKE-UHFFFAOYSA-N 1 0 395.934 1.022 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844361512 655409881 /nfs/dbraw/zinc/40/98/81/655409881.db2.gz WQKQSGFSYAGPPB-YOEHRIQHSA-N 1 0 375.535 1.553 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1Cl ZINC000820504458 655410943 /nfs/dbraw/zinc/41/09/43/655410943.db2.gz WWHAFEBULNJKMF-SMDDNHRTSA-N 1 0 389.905 1.687 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)c2cc(N)nc(Br)c2)CC1 ZINC000820608314 655412530 /nfs/dbraw/zinc/41/25/30/655412530.db2.gz GFGBXFXNBVJQRF-UHFFFAOYSA-N 1 0 385.306 1.999 20 0 GDADRO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000820811343 655417719 /nfs/dbraw/zinc/41/77/19/655417719.db2.gz OXKLNDLFDONZAS-PXAZEXFGSA-N 1 0 382.507 1.565 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)n1 ZINC000821053288 655421672 /nfs/dbraw/zinc/42/16/72/655421672.db2.gz WPWWIIXLIUQULM-LBPRGKRZSA-N 1 0 385.306 1.939 20 0 GDADRO CCn1ncc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1Br ZINC000821143572 655423382 /nfs/dbraw/zinc/42/33/82/655423382.db2.gz MIFMMWWTNIJBQV-KWCYVHTRSA-N 1 0 385.306 1.989 20 0 GDADRO C[C@H]1CC[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CN1C(=O)OC(C)(C)C ZINC000822465053 655445876 /nfs/dbraw/zinc/44/58/76/655445876.db2.gz ZCCBHNYAFSWDNS-KBPBESRZSA-N 1 0 376.519 1.304 20 0 GDADRO O=C(N1CCC([N@@H+]2CCCOCC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000822580542 655447546 /nfs/dbraw/zinc/44/75/46/655447546.db2.gz OIDVMPYARMOXCF-UHFFFAOYSA-N 1 0 397.317 1.848 20 0 GDADRO C[NH+]1CCC2(CCCN(C(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)C2)CC1 ZINC000822661214 655449103 /nfs/dbraw/zinc/44/91/03/655449103.db2.gz LORIWEDYOIIINA-OLZOCXBDSA-N 1 0 382.448 1.544 20 0 GDADRO CC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000846191097 655449544 /nfs/dbraw/zinc/44/95/44/655449544.db2.gz WDGYODVNTGEPLC-KKUMJFAQSA-N 1 0 375.535 1.788 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000846230798 655450266 /nfs/dbraw/zinc/45/02/66/655450266.db2.gz JBBCGQWVUTWMRJ-MNOVXSKESA-N 1 0 375.878 1.660 20 0 GDADRO O=c1[nH]c(Cc2noc([C@H]3C[NH2+]CCO3)n2)nc2ccc(Br)cc12 ZINC000822919789 655453643 /nfs/dbraw/zinc/45/36/43/655453643.db2.gz KHKZJVKDPGMNHX-LLVKDONJSA-N 1 0 392.213 1.733 20 0 GDADRO CCO[C@@H]1CN(C(=O)/C=C\c2ccc(I)o2)C[C@H]1C[NH3+] ZINC000846693464 655458961 /nfs/dbraw/zinc/45/89/61/655458961.db2.gz HMMXNETWEVGZTK-INCYKZHSSA-N 1 0 390.221 1.720 20 0 GDADRO O=C(NCCc1nc(N2CC[NH2+]CC2)no1)Nc1ccc(Br)cc1 ZINC000823310448 655460098 /nfs/dbraw/zinc/46/00/98/655460098.db2.gz WVYOYJFVXQRMEC-UHFFFAOYSA-N 1 0 395.261 1.606 20 0 GDADRO NC(=O)[C@@]1([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCOC1 ZINC000847051408 655465061 /nfs/dbraw/zinc/46/50/61/655465061.db2.gz GXVBKUIBADGKGK-QMTHXVAHSA-N 1 0 393.665 1.076 20 0 GDADRO C[C@H]1CC2(C[N@@H+]1CCCS(N)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823643242 655466337 /nfs/dbraw/zinc/46/63/37/655466337.db2.gz ODKGALTZDJXFTL-AWEZNQCLSA-N 1 0 375.535 1.777 20 0 GDADRO C[N@H+](CC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCSC1 ZINC000847216364 655466706 /nfs/dbraw/zinc/46/67/06/655466706.db2.gz OPNKHLYGFMTWMI-GHMZBOCLSA-N 1 0 385.452 1.996 20 0 GDADRO O=C(Nc1cccc(Br)n1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847608091 655473001 /nfs/dbraw/zinc/47/30/01/655473001.db2.gz QDUFJENLFJTGNO-VXGBXAGGSA-N 1 0 381.274 1.916 20 0 GDADRO C[N@@H+]1CC[C@@H](CCOC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000847829738 655477293 /nfs/dbraw/zinc/47/72/93/655477293.db2.gz ZEQBQGADGAQAPC-NSHDSACASA-N 1 0 395.253 1.930 20 0 GDADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000824608577 655477980 /nfs/dbraw/zinc/47/79/80/655477980.db2.gz JPSKMNQKNNBPGO-KEYYUXOJSA-N 1 0 376.519 1.304 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000824741536 655479910 /nfs/dbraw/zinc/47/99/10/655479910.db2.gz UBEBQOIHKNTCBD-WDEREUQCSA-N 1 0 395.257 1.624 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]CCS(=O)(=O)C1CCOCC1)NC(=O)OC(C)(C)C ZINC000824897029 655481952 /nfs/dbraw/zinc/48/19/52/655481952.db2.gz KZUOVZDSCGMETR-ZIAGYGMSSA-N 1 0 378.535 1.862 20 0 GDADRO CC[C@H]1CN(c2ccc(Br)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](C)O ZINC000825213367 655485957 /nfs/dbraw/zinc/48/59/57/655485957.db2.gz XAZAWTDWSXGEFG-YPMHNXCESA-N 1 0 395.305 1.911 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000848438530 655489962 /nfs/dbraw/zinc/48/99/62/655489962.db2.gz KATVBMICZSLSTH-SECBINFHSA-N 1 0 389.193 1.472 20 0 GDADRO Cn1nc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1Br ZINC000825517699 655490383 /nfs/dbraw/zinc/49/03/83/655490383.db2.gz YYDJJVLFOYMKGY-UHFFFAOYSA-N 1 0 385.306 1.757 20 0 GDADRO C[C@]([NH3+])(C(=O)NC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(Br)cc1 ZINC000848443771 655490450 /nfs/dbraw/zinc/49/04/50/655490450.db2.gz COUBTDCQOINCKW-XJKSGUPXSA-N 1 0 382.258 1.722 20 0 GDADRO [NH3+][C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000825692524 655492636 /nfs/dbraw/zinc/49/26/36/655492636.db2.gz DWLNRUYSHWCQFH-LLVKDONJSA-N 1 0 377.919 1.362 20 0 GDADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1c(Br)nc2n1CCC2 ZINC000825727830 655493127 /nfs/dbraw/zinc/49/31/27/655493127.db2.gz ZHJDRQAZJFNPRB-UHFFFAOYSA-N 1 0 397.317 1.967 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCS2(=O)=O)C1 ZINC000848535151 655496463 /nfs/dbraw/zinc/49/64/63/655496463.db2.gz XAURMJVKGOUMBN-HUUCEWRRSA-N 1 0 375.535 1.838 20 0 GDADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000826674683 655500030 /nfs/dbraw/zinc/50/00/30/655500030.db2.gz WLAZYYOJJJMTHF-CYBMUJFWSA-N 1 0 392.327 1.304 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000826713051 655500474 /nfs/dbraw/zinc/50/04/74/655500474.db2.gz OXULLQUYVHZRRC-LLVKDONJSA-N 1 0 391.260 1.892 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000826985104 655504038 /nfs/dbraw/zinc/50/40/38/655504038.db2.gz BOWBUFOPRLTBHF-GBJTYRQASA-N 1 0 376.519 1.566 20 0 GDADRO Cn1nc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1Br ZINC000827064982 655504815 /nfs/dbraw/zinc/50/48/15/655504815.db2.gz YWIPEKFUAPXJAI-UONOGXRCSA-N 1 0 385.306 1.680 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(F)(F)c1ccc(Br)cc1 ZINC000827236807 655508165 /nfs/dbraw/zinc/50/81/65/655508165.db2.gz HDTVPBDUFUSJIK-CYBMUJFWSA-N 1 0 376.245 1.903 20 0 GDADRO CN(C(=O)c1csc(I)n1)[C@H]1C[NH+]2CCC1CC2 ZINC000827265829 655508361 /nfs/dbraw/zinc/50/83/61/655508361.db2.gz MQDVEWDZMTYDLU-JTQLQIEISA-N 1 0 377.251 1.914 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CC[C@H]21 ZINC000827374118 655510036 /nfs/dbraw/zinc/51/00/36/655510036.db2.gz MEENZSPYACAIKN-DZGCQCFKSA-N 1 0 380.286 1.732 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)c3nc(Br)ccc3F)CC2)CC1 ZINC000827440409 655511294 /nfs/dbraw/zinc/51/12/94/655511294.db2.gz XBXVBOJITQBQFD-UHFFFAOYSA-N 1 0 385.281 1.835 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cn(C)nc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000827739837 655515746 /nfs/dbraw/zinc/51/57/46/655515746.db2.gz RIOWRSKBMPEIIK-GFCCVEGCSA-N 1 0 376.910 1.045 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000827836881 655517135 /nfs/dbraw/zinc/51/71/35/655517135.db2.gz MOGFJASQPYIEQY-LBPRGKRZSA-N 1 0 393.285 1.967 20 0 GDADRO [NH2+]=C(NCCCNS(=O)(=O)c1ccccc1Cl)N1CCSCC1 ZINC000849075822 655517167 /nfs/dbraw/zinc/51/71/67/655517167.db2.gz MSZWMRKRUXQZFE-UHFFFAOYSA-N 1 0 376.935 1.582 20 0 GDADRO CCN(CC)C(=[NH2+])NCCNS(=O)(=O)c1cc(C)ccc1Br ZINC000849052280 655517215 /nfs/dbraw/zinc/51/72/15/655517215.db2.gz IAZDVNKIHAIQCR-UHFFFAOYSA-N 1 0 391.335 1.902 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000849114881 655517447 /nfs/dbraw/zinc/51/74/47/655517447.db2.gz XTNWBPCUPZWTMF-AWEZNQCLSA-N 1 0 387.937 1.314 20 0 GDADRO C[C@@H]1CN(C(=[NH2+])NC[C@H](CO)Cc2ccc(F)c(Br)c2)CCO1 ZINC000849116773 655517561 /nfs/dbraw/zinc/51/75/61/655517561.db2.gz NPXBUSSTXWKMNE-DGCLKSJQSA-N 1 0 388.281 1.984 20 0 GDADRO CC(C)C[C@H]([NH3+])CN1CCC(n2nncc2I)CC1 ZINC000849352940 655522446 /nfs/dbraw/zinc/52/24/46/655522446.db2.gz SYEOIOISAWKHQW-NSHDSACASA-N 1 0 377.274 1.893 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)ccc1Cl ZINC000849429673 655533855 /nfs/dbraw/zinc/53/38/55/655533855.db2.gz UDAXNHASVCFORB-UHFFFAOYSA-N 1 0 391.921 1.288 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)cc1Cl ZINC000850348979 655552653 /nfs/dbraw/zinc/55/26/53/655552653.db2.gz BUGGGRZUAPQHHX-NRFANRHFSA-N 1 0 378.825 1.388 20 0 GDADRO COC[C@@H](CC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)OC ZINC000850345205 655552659 /nfs/dbraw/zinc/55/26/59/655552659.db2.gz OKSSVQJARHOYHV-CHWSQXEVSA-N 1 0 379.910 1.346 20 0 GDADRO C[C@@H](O)c1ncc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)s1 ZINC000850351331 655552722 /nfs/dbraw/zinc/55/27/22/655552722.db2.gz MZGROWVOBFAPIN-SECBINFHSA-N 1 0 385.287 1.874 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)n1 ZINC000850356700 655552921 /nfs/dbraw/zinc/55/29/21/655552921.db2.gz RLCAVIRVJFDLKO-VIFPVBQESA-N 1 0 382.877 1.346 20 0 GDADRO CCOC(=O)NC1CCC([NH2+]CC2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000850460544 655555757 /nfs/dbraw/zinc/55/57/57/655555757.db2.gz CUQHUSBBZKXSHE-UHFFFAOYSA-N 1 0 375.535 1.695 20 0 GDADRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850495749 655556570 /nfs/dbraw/zinc/55/65/70/655556570.db2.gz IBNHEZOBPCIDAP-JPQMIFPKSA-N 1 0 376.400 1.962 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000850589828 655559350 /nfs/dbraw/zinc/55/93/50/655559350.db2.gz OVTMOTHBXYWQKG-UHFFFAOYSA-N 1 0 379.276 1.594 20 0 GDADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)[NH+](C)C ZINC000850595881 655560107 /nfs/dbraw/zinc/56/01/07/655560107.db2.gz HEUILYOUGMXGAC-UXMMLNGASA-N 1 0 379.404 1.709 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCC2SCCS2)ccc1OCC[NH+](C)C ZINC000850696386 655565115 /nfs/dbraw/zinc/56/51/15/655565115.db2.gz IKSJWSWAHCGDNI-UHFFFAOYSA-N 1 0 383.539 1.796 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)CCO1 ZINC000850712072 655566424 /nfs/dbraw/zinc/56/64/24/655566424.db2.gz VHBNBEYQWPDXMD-KBRIMQKVSA-N 1 0 377.888 1.377 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC[C@@H]1c1cccc(F)c1 ZINC000850715545 655566457 /nfs/dbraw/zinc/56/64/57/655566457.db2.gz KIQJRWHLNWDOAD-ARFHVFGLSA-N 1 0 386.514 1.389 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)CC[NH2+]1 ZINC000850828521 655569218 /nfs/dbraw/zinc/56/92/18/655569218.db2.gz ZAIXWXIHOXIFEU-BDAKNGLRSA-N 1 0 382.877 1.392 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000850832528 655569335 /nfs/dbraw/zinc/56/93/35/655569335.db2.gz HMACQTCMELPONX-UHFFFAOYSA-N 1 0 386.246 1.355 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000850847833 655570032 /nfs/dbraw/zinc/57/00/32/655570032.db2.gz OJNRDRXWDWMLLA-UHFFFAOYSA-N 1 0 396.241 1.109 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cc2ccccc2nc1Br ZINC000850854774 655570216 /nfs/dbraw/zinc/57/02/16/655570216.db2.gz QPBSXZHGTXRTNP-UHFFFAOYSA-N 1 0 389.253 1.804 20 0 GDADRO [NH3+]Cc1cccc(NC(=O)C(=O)N2CCn3ncc(Br)c3C2)c1 ZINC000850857956 655570326 /nfs/dbraw/zinc/57/03/26/655570326.db2.gz NDFZOAPECMXNRW-UHFFFAOYSA-N 1 0 378.230 1.085 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000851679093 655590351 /nfs/dbraw/zinc/59/03/51/655590351.db2.gz UTZPJCBIIJPXLG-GFCCVEGCSA-N 1 0 386.239 1.481 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000851713077 655592313 /nfs/dbraw/zinc/59/23/13/655592313.db2.gz XROFPZDTMHKALX-HNNXBMFYSA-N 1 0 377.422 1.794 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000851713079 655592326 /nfs/dbraw/zinc/59/23/26/655592326.db2.gz XROFPZDTMHKALX-OAHLLOKOSA-N 1 0 377.422 1.794 20 0 GDADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000851820914 655597011 /nfs/dbraw/zinc/59/70/11/655597011.db2.gz KNLWANNCRJXRLX-AWEZNQCLSA-N 1 0 375.535 1.790 20 0 GDADRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1coc(S(N)(=O)=O)c1 ZINC000851843610 655599117 /nfs/dbraw/zinc/59/91/17/655599117.db2.gz GXOTUZSFQQBOHJ-MRXNPFEDSA-N 1 0 375.491 1.956 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)nc1Cl ZINC000851881304 655601952 /nfs/dbraw/zinc/60/19/52/655601952.db2.gz YKNXDJHLALZNQM-GFCCVEGCSA-N 1 0 376.910 1.337 20 0 GDADRO C[N@H+](C[C@@](O)(C(N)=O)c1ccccc1)[C@@H](CO)c1cccc(Br)c1 ZINC000851884893 655602447 /nfs/dbraw/zinc/60/24/47/655602447.db2.gz HBWMSADXGQAFHE-WMZOPIPTSA-N 1 0 393.281 1.787 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CCO1 ZINC000851887378 655602534 /nfs/dbraw/zinc/60/25/34/655602534.db2.gz WDEJAKVWVYQGKV-ZDUSSCGKSA-N 1 0 381.420 1.832 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cncc(Br)c2)CCO1 ZINC000851887606 655602578 /nfs/dbraw/zinc/60/25/78/655602578.db2.gz XVXAGZORBDGTHI-ZDUSSCGKSA-N 1 0 392.319 1.575 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)NCCC3SCCS3)ccn2)CC1 ZINC000851961484 655604613 /nfs/dbraw/zinc/60/46/13/655604613.db2.gz GXSSELJTKPXQSO-UHFFFAOYSA-N 1 0 381.571 1.829 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](CCS(N)(=O)=O)CC2)C1 ZINC000852292284 655611820 /nfs/dbraw/zinc/61/18/20/655611820.db2.gz BCZCIALHYWAROO-HNNXBMFYSA-N 1 0 375.535 1.634 20 0 GDADRO C[C@H](C[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1)S(C)(=O)=O ZINC000852603757 655618564 /nfs/dbraw/zinc/61/85/64/655618564.db2.gz KUBMHYIABVSRLL-OCCSQVGLSA-N 1 0 384.464 1.932 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)c2sc3c(c2I)CNC3)C1 ZINC000852795325 655622715 /nfs/dbraw/zinc/62/27/15/655622715.db2.gz XEWSXFIPQBUEOS-MRVPVSSYSA-N 1 0 391.278 1.767 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)=NO1 ZINC000852819301 655623580 /nfs/dbraw/zinc/62/35/80/655623580.db2.gz AVBLMGIMEXVIPH-JTQLQIEISA-N 1 0 385.251 1.381 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NCCc2ccc(I)s2)=NO1 ZINC000852832957 655623906 /nfs/dbraw/zinc/62/39/06/655623906.db2.gz SJWYKANYYCUFMG-SSDOTTSWSA-N 1 0 379.223 1.115 20 0 GDADRO O=C(C[NH2+]CC1CC1)N1CCC(n2nncc2I)CC1 ZINC000852860557 655624283 /nfs/dbraw/zinc/62/42/83/655624283.db2.gz GUBMKCQLSQOORK-UHFFFAOYSA-N 1 0 389.241 1.046 20 0 GDADRO CC(C)[NH2+]CC(=O)N1CCC(n2nncc2I)CC1 ZINC000852861123 655624449 /nfs/dbraw/zinc/62/44/49/655624449.db2.gz OXGBHQFFMMQNBP-UHFFFAOYSA-N 1 0 377.230 1.044 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)=NO1 ZINC000852862439 655624574 /nfs/dbraw/zinc/62/45/74/655624574.db2.gz DWHPLLFEEICYFR-RISCZKNCSA-N 1 0 381.274 1.495 20 0 GDADRO O=C(c1sc2c(c1I)CNC2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852882869 655625268 /nfs/dbraw/zinc/62/52/68/655625268.db2.gz RIIDWUWCFZFNMK-APPZFPTMSA-N 1 0 389.262 1.390 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)=NO1 ZINC000852905593 655626933 /nfs/dbraw/zinc/62/69/33/655626933.db2.gz WTUBILAIORLXCU-SNVBAGLBSA-N 1 0 377.242 1.919 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCC2([NH3+])CCCC2)ccc1Cl ZINC000852906177 655627244 /nfs/dbraw/zinc/62/72/44/655627244.db2.gz SSPJPNUEIXCPGR-UHFFFAOYSA-N 1 0 375.878 1.523 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1F ZINC000853081476 655632274 /nfs/dbraw/zinc/63/22/74/655632274.db2.gz RBSGKZPNVJTZMN-MRVPVSSYSA-N 1 0 376.303 1.262 20 0 GDADRO O=C1OCCN1[C@@H]1CC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000853538428 655641871 /nfs/dbraw/zinc/64/18/71/655641871.db2.gz FZPXNDUTDYCMJH-LLVKDONJSA-N 1 0 393.241 1.643 20 0 GDADRO O=C(NCc1cc(Br)no1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000854707928 655674606 /nfs/dbraw/zinc/67/46/06/655674606.db2.gz NGDIKSQZECYGTQ-MRXNPFEDSA-N 1 0 380.242 1.690 20 0 GDADRO COc1ccc(C(=O)N2CC(C[NH+](C)C)C2)nc1I ZINC000854723706 655675168 /nfs/dbraw/zinc/67/51/68/655675168.db2.gz FUIZKGXLZZJJEJ-UHFFFAOYSA-N 1 0 375.210 1.328 20 0 GDADRO O=C(NCC[S@](=O)CC(F)(F)F)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000855275072 655689595 /nfs/dbraw/zinc/68/95/95/655689595.db2.gz YDFHYJMPKABEKD-MQNRADLISA-N 1 0 378.416 1.051 20 0 GDADRO CCN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000855364007 655692707 /nfs/dbraw/zinc/69/27/07/655692707.db2.gz XNBMFHRCIAZYCP-JTQLQIEISA-N 1 0 390.303 1.263 20 0 GDADRO C[C@@H](CCNC(=O)c1cc(S(C)(=O)=O)ccc1Br)[NH+](C)C ZINC000855411573 655693669 /nfs/dbraw/zinc/69/36/69/655693669.db2.gz PSYJAQWFPQZOOY-JTQLQIEISA-N 1 0 377.304 1.923 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000855697310 655699745 /nfs/dbraw/zinc/69/97/45/655699745.db2.gz OFOGUPDFBFRMRX-OAHLLOKOSA-N 1 0 376.284 1.505 20 0 GDADRO CNS(=O)(=O)CC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000856738742 655715932 /nfs/dbraw/zinc/71/59/32/655715932.db2.gz QOFQNMQMIVYDCG-UHFFFAOYSA-N 1 0 375.535 1.649 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000856747916 655716691 /nfs/dbraw/zinc/71/66/91/655716691.db2.gz QFGYCXPSVHGVAD-AWEZNQCLSA-N 1 0 375.535 1.647 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000856785917 655719136 /nfs/dbraw/zinc/71/91/36/655719136.db2.gz CGOIZJWAJKLGGY-CABCVRRESA-N 1 0 377.399 1.830 20 0 GDADRO CSC1(CNC(=O)NCC(=O)N(C)OCC(F)(F)F)CC[NH+](C)CC1 ZINC000856998149 655725080 /nfs/dbraw/zinc/72/50/80/655725080.db2.gz NOXDNFWYZJPFBE-UHFFFAOYSA-N 1 0 386.440 1.065 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000857110492 655728028 /nfs/dbraw/zinc/72/80/28/655728028.db2.gz UELAFQPQCVERMN-JQWIXIFHSA-N 1 0 376.270 1.776 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857152209 655729293 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C[C@@H]([NH3+])CN(C)S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000858640068 655751756 /nfs/dbraw/zinc/75/17/56/655751756.db2.gz HKCJCRYAIILKKX-RXMQYKEDSA-N 1 0 398.666 1.917 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N(C)C[C@H](C)[NH3+] ZINC000858641474 655751898 /nfs/dbraw/zinc/75/18/98/655751898.db2.gz HPPCORUYDVADGG-AWEZNQCLSA-N 1 0 389.543 1.137 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)s1 ZINC000858642164 655751922 /nfs/dbraw/zinc/75/19/22/655751922.db2.gz YAHJICYYYXFTIO-POYBYMJQSA-N 1 0 383.289 1.326 20 0 GDADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000858641348 655751940 /nfs/dbraw/zinc/75/19/40/655751940.db2.gz BZNVYODVXNGUPS-VIFPVBQESA-N 1 0 391.280 1.507 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000858762388 655753229 /nfs/dbraw/zinc/75/32/29/655753229.db2.gz AIPUCTRJJBXMSW-UHFFFAOYSA-N 1 0 395.305 1.817 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859040749 655759929 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20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cnc1Cl ZINC000861515893 655824306 /nfs/dbraw/zinc/82/43/06/655824306.db2.gz QWWVJLHEKBFMOR-MWLCHTKSSA-N 1 0 378.782 1.968 20 0 GDADRO CN(CCOCC[NH3+])C(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000861526226 655824779 /nfs/dbraw/zinc/82/47/79/655824779.db2.gz LJJNUXCNVXEKON-UHFFFAOYSA-N 1 0 395.257 1.370 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000861543020 655825565 /nfs/dbraw/zinc/82/55/65/655825565.db2.gz XLTXABKTUZSDHL-LLVKDONJSA-N 1 0 383.290 1.793 20 0 GDADRO CCN(CC[NH3+])C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000861615460 655826686 /nfs/dbraw/zinc/82/66/86/655826686.db2.gz OGTMDMFTHACGBC-UHFFFAOYSA-N 1 0 383.392 1.349 20 0 GDADRO O=C(c1cn2c(Br)cnc2s1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713859 655828935 /nfs/dbraw/zinc/82/89/35/655828935.db2.gz FNDXWGNDMRDGJK-ZJUUUORDSA-N 1 0 385.287 1.439 20 0 GDADRO CC(C)(C)n1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c(Br)n1 ZINC000861717110 655829220 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1.914 20 0 GDADRO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863545490 655875212 /nfs/dbraw/zinc/87/52/12/655875212.db2.gz TYHVOOFTMRJXBW-NFAWXSAZSA-N 1 0 389.543 1.203 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000863771883 655880552 /nfs/dbraw/zinc/88/05/52/655880552.db2.gz DSAFEAWOUAKJEL-JSGCOSHPSA-N 1 0 382.302 1.831 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000864062951 655888586 /nfs/dbraw/zinc/88/85/86/655888586.db2.gz MXLFJYTZIKAPJA-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000864063372 655888708 /nfs/dbraw/zinc/88/87/08/655888708.db2.gz JUNFOXSEXBSKJO-NXEZZACHSA-N 1 0 376.242 1.483 20 0 GDADRO Cn1nc(I)cc1C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000864089759 655890067 /nfs/dbraw/zinc/89/00/67/655890067.db2.gz STDZEGKNNVBUKM-VIFPVBQESA-N 1 0 376.242 1.533 20 0 GDADRO Cn1nc(I)cc1C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000864089758 655890109 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C[C@@H](CNS(=O)(=O)N=[S@](C)(=O)c1ccccc1F)C[NH+]1CCCC1 ZINC000866542384 655948572 /nfs/dbraw/zinc/94/85/72/655948572.db2.gz HAJXZOYDKLZDER-ZAMGYDSWSA-N 1 0 377.507 1.849 20 0 GDADRO O=C1COC[C@]2(C[NH2+][C@H]3CCc4ccc(Br)cc43)COCCN12 ZINC000866553776 655949198 /nfs/dbraw/zinc/94/91/98/655949198.db2.gz NURMFWJHHGZSAM-RDJZCZTQSA-N 1 0 381.270 1.654 20 0 GDADRO CN1CCO[C@H]([C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000866570904 655950002 /nfs/dbraw/zinc/95/00/02/655950002.db2.gz RLRDTAYZEUXPNO-JKSUJKDBSA-N 1 0 389.949 1.616 20 0 GDADRO CN1CCO[C@@H]([C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000866570901 655950069 /nfs/dbraw/zinc/95/00/69/655950069.db2.gz RLRDTAYZEUXPNO-CVEARBPZSA-N 1 0 389.949 1.616 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000866628995 655951889 /nfs/dbraw/zinc/95/18/89/655951889.db2.gz BAQZTNRKPZOIFA-UHFFFAOYSA-N 1 0 398.252 1.573 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(CCOc2ccccc2Br)C1 ZINC000866711037 655955865 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COCC[NH2+]CCNS(=O)(=O)Cc1c(Br)cccc1OC ZINC000866759922 655959665 /nfs/dbraw/zinc/95/96/65/655959665.db2.gz KBNMPCMNSXJYHY-UHFFFAOYSA-N 1 0 381.292 1.113 20 0 GDADRO Cn1cc(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c(Br)n1 ZINC000866764424 655960297 /nfs/dbraw/zinc/96/02/97/655960297.db2.gz MARJITCWERDQOC-LBPRGKRZSA-N 1 0 385.287 1.348 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F)C(F)(F)F ZINC000866770160 655961232 /nfs/dbraw/zinc/96/12/32/655961232.db2.gz VASYADYNHXXNEW-SNVBAGLBSA-N 1 0 387.330 1.463 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C[C@@]1(C)C[NH3+] ZINC000866770903 655961352 /nfs/dbraw/zinc/96/13/52/655961352.db2.gz IKCAGYFZPKCNDR-QMTHXVAHSA-N 1 0 379.404 1.793 20 0 GDADRO C[C@@]1(CS(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1(Cl)Cl ZINC000866771330 655961508 /nfs/dbraw/zinc/96/15/08/655961508.db2.gz PUWZDSRZMHVZPP-RUXDESIVSA-N 1 0 384.373 1.706 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C(F)(F)F ZINC000866775724 655962059 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Cn1cc(S(=O)(=O)N2CCCC3(CC[NH+](C)CC3)C2)c(Br)n1 ZINC000867224543 656016946 /nfs/dbraw/zinc/01/69/46/656016946.db2.gz ABMBRKLYBXXFAM-UHFFFAOYSA-N 1 0 391.335 1.679 20 0 GDADRO C[N@@H+]1CCN(CCNS(=O)(=O)Cc2ccc(F)cc2Cl)CC1(C)C ZINC000867229851 656017986 /nfs/dbraw/zinc/01/79/86/656017986.db2.gz JOINHZVQPFOCDN-UHFFFAOYSA-N 1 0 377.913 1.925 20 0 GDADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)CCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000867241073 656020616 /nfs/dbraw/zinc/02/06/16/656020616.db2.gz GUTUHQLFGZVGBZ-UHFFFAOYSA-N 1 0 397.607 1.277 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867273424 656028800 /nfs/dbraw/zinc/02/88/00/656028800.db2.gz GPKRQKVLLIAWAO-UHFFFAOYSA-N 1 0 391.950 1.507 20 0 GDADRO CCOP(=O)(CN(C)S(=O)(=O)CCCN1CC[NH+](C)CC1)OCC ZINC000867440677 656061576 /nfs/dbraw/zinc/06/15/76/656061576.db2.gz YNNIERIGPIWLCW-UHFFFAOYSA-N 1 0 385.467 1.109 20 0 GDADRO O=C(NCCSCCC(F)(F)F)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000867444289 656061933 /nfs/dbraw/zinc/06/19/33/656061933.db2.gz 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656138601 /nfs/dbraw/zinc/13/86/01/656138601.db2.gz KPVDCGAAXCWDAX-GFCCVEGCSA-N 1 0 390.269 1.939 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC=C(Br)C1 ZINC000868054741 656138845 /nfs/dbraw/zinc/13/88/45/656138845.db2.gz OQPPKWYBLAISCO-LBPRGKRZSA-N 1 0 376.295 1.952 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000868165020 656142729 /nfs/dbraw/zinc/14/27/29/656142729.db2.gz XREMNLGAUGRULD-XYPYZODXSA-N 1 0 384.278 1.540 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868249579 656146292 /nfs/dbraw/zinc/14/62/92/656146292.db2.gz QKISBGBTVGVIQV-LURJTMIESA-N 1 0 379.052 1.614 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000868251441 656146510 /nfs/dbraw/zinc/14/65/10/656146510.db2.gz ZWQZRJIKGRABGK-KRWDZBQOSA-N 1 0 396.285 1.998 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000868255953 656146667 /nfs/dbraw/zinc/14/66/67/656146667.db2.gz RQPXWEFKJPAJDY-SECBINFHSA-N 1 0 384.152 1.402 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)ccc1Br ZINC000868269037 656147791 /nfs/dbraw/zinc/14/77/91/656147791.db2.gz TVXFCSCKDDQDLB-LLVKDONJSA-N 1 0 383.290 1.985 20 0 GDADRO O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868276651 656148227 /nfs/dbraw/zinc/14/82/27/656148227.db2.gz UDRPKKZDNIXDTB-UWVGGRQHSA-N 1 0 377.750 1.792 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000868294188 656149474 /nfs/dbraw/zinc/14/94/74/656149474.db2.gz JZDIIVGVHLKVDZ-NSHDSACASA-N 1 0 383.290 1.985 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000868303473 656149754 /nfs/dbraw/zinc/14/97/54/656149754.db2.gz BMRXLUMQNIGGTI-HOMQSWHASA-N 1 0 387.221 1.392 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cnc1Br ZINC000868307098 656150203 /nfs/dbraw/zinc/15/02/03/656150203.db2.gz OJWLIKGJYHPGSW-ZSBIGDGJSA-N 1 0 381.274 1.738 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(Br)ncc1Br ZINC000868345449 656151384 /nfs/dbraw/zinc/15/13/84/656151384.db2.gz IQAMGZPLJKEHGJ-ZETCQYMHSA-N 1 0 381.068 1.259 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000868385846 656153285 /nfs/dbraw/zinc/15/32/85/656153285.db2.gz AFJIDHAIBHIHBM-ZIAGYGMSSA-N 1 0 384.274 1.203 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000868385842 656153320 /nfs/dbraw/zinc/15/33/20/656153320.db2.gz AFJIDHAIBHIHBM-KGLIPLIRSA-N 1 0 384.274 1.203 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1cccc(Br)c1 ZINC000868387322 656153500 /nfs/dbraw/zinc/15/35/00/656153500.db2.gz AUMADMREJOZRFZ-WHOFXGATSA-N 1 0 398.301 1.449 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1cccc(Br)c1 ZINC000868390209 656153777 /nfs/dbraw/zinc/15/37/77/656153777.db2.gz GDLJEXXPXTZMDQ-UGFHNGPFSA-N 1 0 398.301 1.449 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868419465 656155153 /nfs/dbraw/zinc/15/51/53/656155153.db2.gz PKNDEQPYRGPNHF-HOTGVXAUSA-N 1 0 394.313 1.803 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COc3ccc(Br)cc32)C1 ZINC000869779602 656207241 /nfs/dbraw/zinc/20/72/41/656207241.db2.gz ZXOKIMACMOSLPQ-JSGCOSHPSA-N 1 0 383.286 1.887 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)COc2ccc(F)cc2Br)C1 ZINC000869785082 656207851 /nfs/dbraw/zinc/20/78/51/656207851.db2.gz BHISCOZWYWHCHN-LBPRGKRZSA-N 1 0 389.265 1.928 20 0 GDADRO CC(C)[C@@H](C[NH+](C)C)OC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000870571023 656239856 /nfs/dbraw/zinc/23/98/56/656239856.db2.gz UZPIOAWGLJSSNJ-OAHLLOKOSA-N 1 0 389.543 1.495 20 0 GDADRO Cn1ncc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)c1Br ZINC000870666322 656243709 /nfs/dbraw/zinc/24/37/09/656243709.db2.gz DVSMQNAZJGFJTR-UHFFFAOYSA-N 1 0 379.262 1.582 20 0 GDADRO [NH3+][C@H](C(=O)N1CCC[C@@H](N2CCNC2=O)C1)c1cccc(Br)c1 ZINC000870873383 656251399 /nfs/dbraw/zinc/25/13/99/656251399.db2.gz CAUGXWKQGCSLIG-KGLIPLIRSA-N 1 0 381.274 1.465 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1cccc(Br)c1 ZINC000870914974 656255108 /nfs/dbraw/zinc/25/51/08/656255108.db2.gz YLZPZLQSXWVVBP-BMFZPTHFSA-N 1 0 380.286 1.837 20 0 GDADRO CC(C)n1ncc(C(=O)NCC[C@H]2CC[NH2+]C2)c1I ZINC000870935551 656256532 /nfs/dbraw/zinc/25/65/32/656256532.db2.gz QLZOZEWOECPPOP-SNVBAGLBSA-N 1 0 376.242 1.798 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)C(F)F ZINC000870944771 656258042 /nfs/dbraw/zinc/25/80/42/656258042.db2.gz KGPKPOYERJMXTI-CQSZACIVSA-N 1 0 375.441 1.258 20 0 GDADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Br)ccc1-n1cnnn1 ZINC000870973292 656259471 /nfs/dbraw/zinc/25/94/71/656259471.db2.gz RBBITAVTBDHRDC-LMKPVCQUSA-N 1 0 391.273 1.685 20 0 GDADRO C[NH+](C)C1(C)CCC(NC(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC000871358607 656265944 /nfs/dbraw/zinc/26/59/44/656265944.db2.gz ZMUXHGWAMRKTFJ-UHFFFAOYSA-N 1 0 380.440 1.707 20 0 GDADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1sccc1Br ZINC000871810863 656281161 /nfs/dbraw/zinc/28/11/61/656281161.db2.gz QWFSRTVFDRIFIC-SNVBAGLBSA-N 1 0 395.344 1.948 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C[C@@H]1C(F)(F)F ZINC000871813284 656281959 /nfs/dbraw/zinc/28/19/59/656281959.db2.gz HSDCCMFBGDNDTK-CBAPKCEASA-N 1 0 377.310 1.858 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000871813513 656282120 /nfs/dbraw/zinc/28/21/20/656282120.db2.gz JEEXUSUDMCCZBS-FZMZJTMJSA-N 1 0 382.404 1.470 20 0 GDADRO Cc1c(C(=O)N(C)C)occ1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871813803 656282252 /nfs/dbraw/zinc/28/22/52/656282252.db2.gz YEXAXRYFNIXNJP-UWVGGRQHSA-N 1 0 383.392 1.048 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)CCc2ccc3c(c2)CCO3)C[C@@H]1C(F)(F)F ZINC000871813799 656282279 /nfs/dbraw/zinc/28/22/79/656282279.db2.gz YELULSMFYNEFBG-KGLIPLIRSA-N 1 0 378.416 1.563 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Br)o2)C[C@H]1C(F)(F)F ZINC000871814256 656282585 /nfs/dbraw/zinc/28/25/85/656282585.db2.gz RLBBOTALTRIOEI-NKWVEPMBSA-N 1 0 377.182 1.800 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)s1 ZINC000871814306 656282631 /nfs/dbraw/zinc/28/26/31/656282631.db2.gz SCLZPZLEIGRYTO-FBIMIBRVSA-N 1 0 399.460 1.703 20 0 GDADRO COc1ccccc1[C@@H]1CSCCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000871822706 656284026 /nfs/dbraw/zinc/28/40/26/656284026.db2.gz KTVDCMWBIMLACY-HOCLYGCPSA-N 1 0 386.539 1.493 20 0 GDADRO O=C(NCC1C[NH+](C[C@@H](O)COCc2ccccc2Cl)C1)C(F)(F)F ZINC000871991921 656314580 /nfs/dbraw/zinc/31/45/80/656314580.db2.gz OLMZSWKWBCDONC-CYBMUJFWSA-N 1 0 380.794 1.828 20 0 GDADRO CCc1cnc(CN(C)C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)s1 ZINC000872191372 656319652 /nfs/dbraw/zinc/31/96/52/656319652.db2.gz KJAOWDQPFAGHJD-MWLCHTKSSA-N 1 0 378.420 1.260 20 0 GDADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000872228462 656320417 /nfs/dbraw/zinc/32/04/17/656320417.db2.gz FYPPTXNKJUDZGU-UHIISALHSA-N 1 0 378.252 1.901 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000872237977 656320956 /nfs/dbraw/zinc/32/09/56/656320956.db2.gz CGFFRCFZJRPGPK-RRFJBIMHSA-N 1 0 386.311 1.617 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Br)n1 ZINC000872453643 656331766 /nfs/dbraw/zinc/33/17/66/656331766.db2.gz NDUZFBKFMUKUOK-GFCCVEGCSA-N 1 0 392.319 1.359 20 0 GDADRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000872530192 656350117 /nfs/dbraw/zinc/35/01/17/656350117.db2.gz BHSSQSNVZLXWKI-UHFFFAOYSA-N 1 0 378.560 1.234 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(CN3c4cc(Br)ccc4C(=O)C3=O)CC[C@H]21 ZINC000872725477 656375083 /nfs/dbraw/zinc/37/50/83/656375083.db2.gz GDSPXQHEABGBOJ-BXUZGUMPSA-N 1 0 378.270 1.962 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)NCc3ncc(Cl)s3)ccn2)CC1 ZINC000872827182 656379551 /nfs/dbraw/zinc/37/95/51/656379551.db2.gz AQFFQDZFLDPWCX-UHFFFAOYSA-N 1 0 380.905 1.943 20 0 GDADRO Cn1cc([C@H](O)C[NH2+]Cc2cccc(F)c2I)cn1 ZINC000873061571 656385056 /nfs/dbraw/zinc/38/50/56/656385056.db2.gz TYYHYKMPUSHTAS-GFCCVEGCSA-N 1 0 375.185 1.987 20 0 GDADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1cccnc1Br ZINC000873102104 656386197 /nfs/dbraw/zinc/38/61/97/656386197.db2.gz GTHNIDZBOIAOGH-NSHDSACASA-N 1 0 397.273 1.058 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1C(F)(F)F ZINC000873108199 656386783 /nfs/dbraw/zinc/38/67/83/656386783.db2.gz VKDIXLLGGSHRJA-XCBNKYQSSA-N 1 0 395.179 1.378 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)C[C@H]1C(F)(F)F ZINC000873107419 656386804 /nfs/dbraw/zinc/38/68/04/656386804.db2.gz NQJLDMYPNMDINZ-JGVFFNPUSA-N 1 0 394.444 1.467 20 0 GDADRO Cn1c2ccccc2c(Br)c1C[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000873130095 656387619 /nfs/dbraw/zinc/38/76/19/656387619.db2.gz ZCKJOOSLNKRVDO-HNNXBMFYSA-N 1 0 387.299 1.580 20 0 GDADRO Cc1cc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc(S(C)(=O)=O)c1 ZINC000873333205 656390774 /nfs/dbraw/zinc/39/07/74/656390774.db2.gz GPLJVNMYFLWSHV-MFKMUULPSA-N 1 0 379.404 1.999 20 0 GDADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000873889526 656426478 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GDADRO Cn1ncc(I)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000922849978 656511700 /nfs/dbraw/zinc/51/17/00/656511700.db2.gz DOKOVMOWKLLOGW-PBINXNQUSA-N 1 0 395.266 1.223 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCS(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000875142073 656513964 /nfs/dbraw/zinc/51/39/64/656513964.db2.gz ZBEWVXIDGROMRX-CJNGLKHVSA-N 1 0 385.917 1.849 20 0 GDADRO CCOCCOCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000922943254 656518181 /nfs/dbraw/zinc/51/81/81/656518181.db2.gz IHMCRTBHVBPCOD-UHFFFAOYSA-N 1 0 381.292 1.239 20 0 GDADRO C[NH+](C)C1(CNC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000922997637 656521366 /nfs/dbraw/zinc/52/13/66/656521366.db2.gz DSSKFFWRYJJVNW-CQSZACIVSA-N 1 0 384.318 1.994 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000923353332 656546986 /nfs/dbraw/zinc/54/69/86/656546986.db2.gz WUSIAYQRDDFGTH-TZMCWYRMSA-N 1 0 377.268 1.570 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)s1 ZINC000875546032 656547128 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20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1ncc(Br)s1 ZINC000875786403 656565824 /nfs/dbraw/zinc/56/58/24/656565824.db2.gz YEPIUKFKTLXJHC-UWVGGRQHSA-N 1 0 389.319 1.320 20 0 GDADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2c(Br)cnn2C)C[C@@H]1C ZINC000875983434 656574343 /nfs/dbraw/zinc/57/43/43/656574343.db2.gz RFTOEZWCXWMPTP-TXEJJXNPSA-N 1 0 388.310 1.433 20 0 GDADRO COc1cc(Br)c(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000923602538 656575337 /nfs/dbraw/zinc/57/53/37/656575337.db2.gz BNLXIGIKFFNBMF-LLVKDONJSA-N 1 0 393.303 1.638 20 0 GDADRO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000923603874 656575746 /nfs/dbraw/zinc/57/57/46/656575746.db2.gz BYALFTYDSZKUQJ-SWLSCSKDSA-N 1 0 389.315 1.904 20 0 GDADRO O=S(=O)(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000923605311 656576177 /nfs/dbraw/zinc/57/61/77/656576177.db2.gz NWHUVZSSKWEBMA-DZGCQCFKSA-N 1 0 388.331 1.699 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923632054 656578829 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GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923685822 656587488 /nfs/dbraw/zinc/58/74/88/656587488.db2.gz CAIIOYOAQGYIMN-GFCCVEGCSA-N 1 0 388.511 1.362 20 0 GDADRO COc1c(F)cc(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1F ZINC000923687351 656587811 /nfs/dbraw/zinc/58/78/11/656587811.db2.gz HELGYMSGTTVVFR-NSHDSACASA-N 1 0 376.425 1.492 20 0 GDADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1cnccc1C(F)(F)F)CC2 ZINC000923688658 656588293 /nfs/dbraw/zinc/58/82/93/656588293.db2.gz WXRKUKDVXVPHDG-NSHDSACASA-N 1 0 379.404 1.619 20 0 GDADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CCNCC[NH2+]CC1 ZINC000923693876 656590252 /nfs/dbraw/zinc/59/02/52/656590252.db2.gz STBTWBWEXVDDPV-UHFFFAOYSA-N 1 0 387.811 1.422 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000923694762 656590619 /nfs/dbraw/zinc/59/06/19/656590619.db2.gz JRDKJKXLXXTPIL-LBPRGKRZSA-N 1 0 383.695 1.577 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000923695974 656591106 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GDADRO O=C(NCCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000876634897 656619611 /nfs/dbraw/zinc/61/96/11/656619611.db2.gz FYRYXEWMKMNGRW-JSGCOSHPSA-N 1 0 386.265 1.633 20 0 GDADRO C[NH+](C)C[C@H](N)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000876635416 656619681 /nfs/dbraw/zinc/61/96/81/656619681.db2.gz XCRWLHGIRVSPKN-HNNXBMFYSA-N 1 0 397.317 1.515 20 0 GDADRO CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCn2ncc(I)c2C1 ZINC000924023170 656619880 /nfs/dbraw/zinc/61/98/80/656619880.db2.gz VRLIKXMKSOYIQA-SNVBAGLBSA-N 1 0 389.241 1.107 20 0 GDADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876631619 656619879 /nfs/dbraw/zinc/61/98/79/656619879.db2.gz LCMNEUHILHOGRD-DGCLKSJQSA-N 1 0 382.237 1.975 20 0 GDADRO O=C(NCCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(Br)c1 ZINC000876636683 656620287 /nfs/dbraw/zinc/62/02/87/656620287.db2.gz CNNSALDQCPURSL-PBHICJAKSA-N 1 0 380.286 1.827 20 0 GDADRO C[S@@](=O)C1(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)CC[NH2+]CC1 ZINC000876641434 656621023 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20 0 GDADRO CS(=O)(=O)c1ccc(NCC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000928076029 656866917 /nfs/dbraw/zinc/86/69/17/656866917.db2.gz FFEOTTLGOMMGDK-HOTGVXAUSA-N 1 0 383.539 1.198 20 0 GDADRO Cc1sc2ncc(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)c(=O)n2c1C ZINC000928091082 656869371 /nfs/dbraw/zinc/86/93/71/656869371.db2.gz PBXHFCFUAHNWTM-KBPBESRZSA-N 1 0 378.523 1.682 20 0 GDADRO O=C(CN1C(=O)CSc2ccccc21)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928096985 656872374 /nfs/dbraw/zinc/87/23/74/656872374.db2.gz ONERSZDUQPSGLT-DZGCQCFKSA-N 1 0 377.535 1.821 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928103577 656874597 /nfs/dbraw/zinc/87/45/97/656874597.db2.gz YZOBRCGORNSSLR-QWHCGFSZSA-N 1 0 386.315 1.307 20 0 GDADRO CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]2C1 ZINC000880312498 656883464 /nfs/dbraw/zinc/88/34/64/656883464.db2.gz OVLGCFFOSYVPGW-VBQJREDUSA-N 1 0 392.297 1.965 20 0 GDADRO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000880429656 656891026 /nfs/dbraw/zinc/89/10/26/656891026.db2.gz OVJPOTICFSRGPP-UONOGXRCSA-N 1 0 382.258 1.693 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]2c2ncc(Br)cn2)n1 ZINC000928356939 656895849 /nfs/dbraw/zinc/89/58/49/656895849.db2.gz GVNQVVUOJOMXMT-AWEZNQCLSA-N 1 0 393.289 1.975 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cs1)C(N)=O ZINC000880623097 656900731 /nfs/dbraw/zinc/90/07/31/656900731.db2.gz VWYYORZGOLDKJV-IACUBPJLSA-N 1 0 382.555 1.785 20 0 GDADRO C[C@H](Sc1nc(CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cs1)C(N)=O ZINC000880658942 656902832 /nfs/dbraw/zinc/90/28/32/656902832.db2.gz TUKCJNVCFGRSCG-RYUDHWBXSA-N 1 0 384.571 1.888 20 0 GDADRO C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000928457795 656904232 /nfs/dbraw/zinc/90/42/32/656904232.db2.gz VSZWWSURLAQYNI-BXKDBHETSA-N 1 0 380.297 1.481 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000880770471 656907237 /nfs/dbraw/zinc/90/72/37/656907237.db2.gz LTFMRTQYDLOGEP-ZDUSSCGKSA-N 1 0 399.333 1.827 20 0 GDADRO COCC[NH2+]CCc1cn(Cc2cc(Br)ccc2C(=O)OC)nn1 ZINC000881338841 656928665 /nfs/dbraw/zinc/92/86/65/656928665.db2.gz BRSBEPGEOWXMSS-UHFFFAOYSA-N 1 0 397.273 1.654 20 0 GDADRO O[C@H](Cn1cc(CCN2CC[NH2+]CC2)nn1)c1cccc(Br)c1 ZINC000881406180 656933839 /nfs/dbraw/zinc/93/38/39/656933839.db2.gz HHGRSFYFBCODLX-MRXNPFEDSA-N 1 0 380.290 1.222 20 0 GDADRO O[C@H](Cn1cc(CCN2CC[NH2+]CC2)nn1)c1ccc(F)c(Br)c1 ZINC000881417008 656934531 /nfs/dbraw/zinc/93/45/31/656934531.db2.gz FTVSPKYWVLDAQE-MRXNPFEDSA-N 1 0 398.280 1.361 20 0 GDADRO C[C@](O)(Cn1cc(C[C@@H]([NH3+])CO)nn1)c1ccc(Br)cc1Cl ZINC000881425398 656936433 /nfs/dbraw/zinc/93/64/33/656936433.db2.gz XAWVABBLJOWGFC-YGRLFVJLSA-N 1 0 389.681 1.464 20 0 GDADRO C[C@](O)(Cn1cc(CC[C@H](O)C[NH3+])nn1)c1ccc(Br)cc1F ZINC000881425171 656936478 /nfs/dbraw/zinc/93/64/78/656936478.db2.gz SZIJAASLGZLQFG-WFASDCNBSA-N 1 0 387.253 1.340 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(Br)nc2N)CC1 ZINC000929518960 656970625 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C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000933437604 657280506 /nfs/dbraw/zinc/28/05/06/657280506.db2.gz ACEMAUQDIUVLAY-HOTGVXAUSA-N 1 0 388.302 1.235 20 0 GDADRO CN1CCN(C(=O)CC[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000933442890 657281673 /nfs/dbraw/zinc/28/16/73/657281673.db2.gz WNRKQTYWBRDCPN-SFHVURJKSA-N 1 0 398.345 1.496 20 0 GDADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000933448814 657282328 /nfs/dbraw/zinc/28/23/28/657282328.db2.gz KPGKEBMPZVIIKV-AWEZNQCLSA-N 1 0 381.782 1.611 20 0 GDADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000883470917 657289042 /nfs/dbraw/zinc/28/90/42/657289042.db2.gz MOANRANGTPVPIH-UHFFFAOYSA-N 1 0 386.417 1.017 20 0 GDADRO CCC1([NH3+])CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000883483000 657292060 /nfs/dbraw/zinc/29/20/60/657292060.db2.gz PZJYIXTXHPPDOC-UHFFFAOYSA-N 1 0 382.454 1.575 20 0 GDADRO CC(C)OCC[NH+]1CCC(NC(=O)NCC[C@H]2CCCS2(=O)=O)CC1 ZINC000883490414 657292528 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398.301 1.593 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000935398992 657429694 /nfs/dbraw/zinc/42/96/94/657429694.db2.gz DHEGNLBAYHBUCR-BZNIZROVSA-N 1 0 382.258 1.058 20 0 GDADRO O=C(NCCc1sccc1Br)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000885210812 657429711 /nfs/dbraw/zinc/42/97/11/657429711.db2.gz ZRBLDBVMKBUMMX-NEPJUHHUSA-N 1 0 386.315 1.522 20 0 GDADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3ccns3)C2)ccn1 ZINC000885316143 657453008 /nfs/dbraw/zinc/45/30/08/657453008.db2.gz QNGSWQWLRKBXHP-OAHLLOKOSA-N 1 0 382.511 1.832 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccsc1C(F)F ZINC000935799184 657487378 /nfs/dbraw/zinc/48/73/78/657487378.db2.gz JNYNDQLMJHFMIE-UHFFFAOYSA-N 1 0 375.441 1.548 20 0 GDADRO O=C(c1cc(Br)c2nccnc2c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000935984912 657534924 /nfs/dbraw/zinc/53/49/24/657534924.db2.gz OOZXOMJLODVBSQ-CHWSQXEVSA-N 1 0 391.269 1.673 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935984598 657535193 /nfs/dbraw/zinc/53/51/93/657535193.db2.gz KBZUZTHNHJYYJP-CYBMUJFWSA-N 1 0 395.253 1.742 20 0 GDADRO CSC1(CNC(=O)CCc2ccc(S(C)(=O)=O)cc2)CC[NH+](C)CC1 ZINC000936043070 657544714 /nfs/dbraw/zinc/54/47/14/657544714.db2.gz YUOOTCWHUGAJKC-UHFFFAOYSA-N 1 0 384.567 1.966 20 0 GDADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000936067964 657547646 /nfs/dbraw/zinc/54/76/46/657547646.db2.gz WXLKRXYAWZGJTL-LLVKDONJSA-N 1 0 384.274 1.875 20 0 GDADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000936064812 657547903 /nfs/dbraw/zinc/54/79/03/657547903.db2.gz YWIRWKLIWBCRLB-LLVKDONJSA-N 1 0 384.274 1.875 20 0 GDADRO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)c1cc(Cl)cs1 ZINC000941786675 657554616 /nfs/dbraw/zinc/55/46/16/657554616.db2.gz LJGHYSDDQJHJAJ-FMKGYKFTSA-N 1 0 385.917 1.697 20 0 GDADRO CO[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000942002321 657555938 /nfs/dbraw/zinc/55/59/38/657555938.db2.gz 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O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nc(Cl)cs1)C12CC[NH+](CC1)C2 ZINC000998654119 657653831 /nfs/dbraw/zinc/65/38/31/657653831.db2.gz IKSXYUCCZBCBCU-WOPDTQHZSA-N 1 0 380.901 1.754 20 0 GDADRO COC(=O)c1cncc([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000886553193 657674962 /nfs/dbraw/zinc/67/49/62/657674962.db2.gz FYWHILQXJMHPKD-GFCCVEGCSA-N 1 0 383.495 1.901 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1Br ZINC000886882409 657714862 /nfs/dbraw/zinc/71/48/62/657714862.db2.gz QAVBCHIJTBTWBQ-JTQLQIEISA-N 1 0 379.276 1.196 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000886890368 657719067 /nfs/dbraw/zinc/71/90/67/657719067.db2.gz GOVDBSTWWGKWPT-LLVKDONJSA-N 1 0 391.287 1.608 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000886890699 657719862 /nfs/dbraw/zinc/71/98/62/657719862.db2.gz QCRRLRZVYWXXCD-JTQLQIEISA-N 1 0 381.267 1.969 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886899142 657725479 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CS(=O)(=O)Cc1nc(-c2cn(CCC[NH+]3CCSCC3)nn2)cs1 ZINC000887481000 657785783 /nfs/dbraw/zinc/78/57/83/657785783.db2.gz XMPIVIXROHFHAO-UHFFFAOYSA-N 1 0 387.556 1.385 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cs1)C(N)=O ZINC000887921771 657849063 /nfs/dbraw/zinc/84/90/63/657849063.db2.gz RFJXMJLRJZCYLD-XTQGRXLLSA-N 1 0 382.555 1.452 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000887939120 657850265 /nfs/dbraw/zinc/85/02/65/657850265.db2.gz PDDGKSSBRIGTMU-YVEFUNNKSA-N 1 0 385.917 1.614 20 0 GDADRO Cn1ncc(Br)c1CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000888378994 657894508 /nfs/dbraw/zinc/89/45/08/657894508.db2.gz HNXFBNAIZFSXBF-UHFFFAOYSA-N 1 0 393.289 1.511 20 0 GDADRO CN1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC[N@H+](C)CC1 ZINC000888985329 657964958 /nfs/dbraw/zinc/96/49/58/657964958.db2.gz UCVAUDFISAXSQH-INIZCTEOSA-N 1 0 382.302 1.458 20 0 GDADRO C[NH+]1CCC2(CCN2C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000889225995 657986286 /nfs/dbraw/zinc/98/62/86/657986286.db2.gz ODYOTOJIEHLMMI-UHFFFAOYSA-N 1 0 383.539 1.843 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2nn3c(c2Br)CCC3)ccc1=O ZINC000889710706 658019497 /nfs/dbraw/zinc/01/94/97/658019497.db2.gz DNEOXUDGHQHFQS-UHFFFAOYSA-N 1 0 394.273 1.567 20 0 GDADRO O=C(c1nn2c(c1Br)CCC2)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889741538 658024907 /nfs/dbraw/zinc/02/49/07/658024907.db2.gz CKMMVFKBLHXUEJ-VXGBXAGGSA-N 1 0 383.290 1.263 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889749054 658029022 /nfs/dbraw/zinc/02/90/22/658029022.db2.gz JAVKTTWQPONMCG-STQMWFEESA-N 1 0 384.274 1.529 20 0 GDADRO CC(C)CN(CC[NH+](C)C)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000889761174 658033906 /nfs/dbraw/zinc/03/39/06/658033906.db2.gz DITBATUGOBNOPN-UHFFFAOYSA-N 1 0 376.567 1.466 20 0 GDADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889773688 658036650 /nfs/dbraw/zinc/03/66/50/658036650.db2.gz KPMAYIWXBUXOIZ-VXGBXAGGSA-N 1 0 383.290 1.721 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889820500 658059064 /nfs/dbraw/zinc/05/90/64/658059064.db2.gz GCJVXISWOFNPDS-UHFFFAOYSA-N 1 0 388.253 1.771 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000891364632 658231515 /nfs/dbraw/zinc/23/15/15/658231515.db2.gz ZVJMRULCJQMKTH-YPMHNXCESA-N 1 0 379.404 1.369 20 0 GDADRO O=C(NCCNC(=O)c1ccc(Br)cc1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891399435 658235308 /nfs/dbraw/zinc/23/53/08/658235308.db2.gz MOETXRVUHACKTB-RHSMWYFYSA-N 1 0 395.301 1.763 20 0 GDADRO CN(CCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cccs1 ZINC000891697693 658266415 /nfs/dbraw/zinc/26/64/15/658266415.db2.gz LTCHSVDKSKQXQS-BTTYYORXSA-N 1 0 386.543 1.198 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(C)s1 ZINC000891697990 658266574 /nfs/dbraw/zinc/26/65/74/658266574.db2.gz VNSMGCRMYMAUPK-KGLIPLIRSA-N 1 0 386.543 1.179 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)CC(C)C ZINC000891755519 658270094 /nfs/dbraw/zinc/27/00/94/658270094.db2.gz XAHDLVJRRICXHM-PMPSAXMXSA-N 1 0 376.567 1.309 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000891968877 658286884 /nfs/dbraw/zinc/28/68/84/658286884.db2.gz PXVGZXMKRUBLKS-IKGGRYGDSA-N 1 0 393.329 1.682 20 0 GDADRO COCC[NH+]1CCC(Nc2nc(C)ncc2I)CC1 ZINC000892014280 658291878 /nfs/dbraw/zinc/29/18/78/658291878.db2.gz SIWARWZIYAZZPI-UHFFFAOYSA-N 1 0 376.242 1.912 20 0 GDADRO C[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000892223885 658311410 /nfs/dbraw/zinc/31/14/10/658311410.db2.gz YKQXCVWLIULMFA-UHFFFAOYSA-N 1 0 378.654 1.081 20 0 GDADRO C[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000892220498 658311507 /nfs/dbraw/zinc/31/15/07/658311507.db2.gz XPCMLLFEZTVOST-UHFFFAOYSA-N 1 0 378.654 1.081 20 0 GDADRO O=C(NCCc1cc(Cl)cc(Br)c1)NC[C@H]1COCC[NH2+]1 ZINC000892289479 658315675 /nfs/dbraw/zinc/31/56/75/658315675.db2.gz MKBGKNLHFLGVHH-ZDUSSCGKSA-N 1 0 376.682 1.933 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNc1ccnc(-c2ccc(Br)cc2)n1 ZINC000892469030 658328534 /nfs/dbraw/zinc/32/85/34/658328534.db2.gz VWYIXPUIYVARSY-HNNXBMFYSA-N 1 0 376.302 1.986 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892568663 658334403 /nfs/dbraw/zinc/33/44/03/658334403.db2.gz WONIBTHYDNBJKH-YDHLFZDLSA-N 1 0 384.318 1.945 20 0 GDADRO COc1ccc(CNC(=O)N2CCN(C)CC[N@H+](C)CC2)cc1Br ZINC000892651514 658339547 /nfs/dbraw/zinc/33/95/47/658339547.db2.gz YCTJNHNBNBNPPF-UHFFFAOYSA-N 1 0 399.333 1.847 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000892693089 658343085 /nfs/dbraw/zinc/34/30/85/658343085.db2.gz BHEIMUXWTKCKEJ-MFKMUULPSA-N 1 0 398.305 1.737 20 0 GDADRO O=C(NC[C@H]1CCCN(C(=O)NCc2ncc(Cl)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000892712098 658345456 /nfs/dbraw/zinc/34/54/56/658345456.db2.gz RBGGPRDZRMPKAV-NEPJUHHUSA-N 1 0 385.921 1.586 20 0 GDADRO O=C(NC[C@H]1CCCN(C(=O)NCc2ncc(Cl)s2)C1)[C@H]1CCC[NH2+]1 ZINC000892712105 658345555 /nfs/dbraw/zinc/34/55/55/658345555.db2.gz RBGGPRDZRMPKAV-VXGBXAGGSA-N 1 0 385.921 1.586 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC(=O)N(CCC(F)(F)F)C1)C2 ZINC000892878684 658357649 /nfs/dbraw/zinc/35/76/49/658357649.db2.gz BROKBNVCHOSIKT-UHFFFAOYSA-N 1 0 377.392 1.134 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1cnc(CC(F)(F)F)s1)N1CCSCC1 ZINC000892905743 658359343 /nfs/dbraw/zinc/35/93/43/658359343.db2.gz OTUMPWNBANEQPY-UHFFFAOYSA-N 1 0 389.490 1.716 20 0 GDADRO CCOC(=O)c1ncc(Br)c(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)n1 ZINC000892999208 658366252 /nfs/dbraw/zinc/36/62/52/658366252.db2.gz BUBPBSTVMULPTP-MNOVXSKESA-N 1 0 389.319 1.898 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2)c1cccs1 ZINC000893180895 658383626 /nfs/dbraw/zinc/38/36/26/658383626.db2.gz KACRMINGBKFFDB-AGIUHOORSA-N 1 0 379.475 1.106 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC23CC[NH+](C)CC3)s1 ZINC000893768864 658445003 /nfs/dbraw/zinc/44/50/03/658445003.db2.gz RGZVAUMKBAAIMC-UHFFFAOYSA-N 1 0 386.543 1.215 20 0 GDADRO CC(C)(C)OC(=O)NCCN1CCC([NH2+]CC2(S(C)(=O)=O)CC2)CC1 ZINC000894156236 658512886 /nfs/dbraw/zinc/51/28/86/658512886.db2.gz NFIABUNPNGJQBZ-UHFFFAOYSA-N 1 0 375.535 1.142 20 0 GDADRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)C1(F)F ZINC000894199315 658519563 /nfs/dbraw/zinc/51/95/63/658519563.db2.gz MZHVPUXCJZTWLH-KGLIPLIRSA-N 1 0 376.425 1.517 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894238880 658526071 /nfs/dbraw/zinc/52/60/71/658526071.db2.gz WFGPNFPELLMQRD-UHFFFAOYSA-N 1 0 388.946 1.617 20 0 GDADRO Cn1nc(Br)nc1C[NH2+][C@H](Cc1ccccc1)CN1CCOCC1 ZINC000894276307 658532192 /nfs/dbraw/zinc/53/21/92/658532192.db2.gz JTDDLTBBFCLDKI-OAHLLOKOSA-N 1 0 394.317 1.611 20 0 GDADRO Cn1nc(Br)nc1CNCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000894318279 658538428 /nfs/dbraw/zinc/53/84/28/658538428.db2.gz VMKLPKULJBLWRF-UHFFFAOYSA-N 1 0 394.317 1.824 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000894360356 658544411 /nfs/dbraw/zinc/54/44/11/658544411.db2.gz ZNOAJYPUBSMMQC-LLVKDONJSA-N 1 0 383.237 1.788 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2nnc(C3CC3)s2)c1 ZINC000894385420 658548649 /nfs/dbraw/zinc/54/86/49/658548649.db2.gz PVNOYEGZUZWJEM-UHFFFAOYSA-N 1 0 381.527 1.868 20 0 GDADRO COCCOC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000894404401 658552001 /nfs/dbraw/zinc/55/20/01/658552001.db2.gz VFOHVMWWFAXHFA-LLVKDONJSA-N 1 0 385.313 1.913 20 0 GDADRO Cn1cc(CN2CCOCC3(CCOCC3)C2)c(I)n1 ZINC000894450375 658559552 /nfs/dbraw/zinc/55/95/52/658559552.db2.gz ZXGMJPAXRFIVHI-UHFFFAOYSA-N 1 0 391.253 1.654 20 0 GDADRO O=S(=O)(CC[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1)C1CCOCC1 ZINC000894725678 658600868 /nfs/dbraw/zinc/60/08/68/658600868.db2.gz KMWDDOOLXPKJTP-UHFFFAOYSA-N 1 0 387.523 1.175 20 0 GDADRO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c2ccsc2S1(=O)=O ZINC000894982175 658644170 /nfs/dbraw/zinc/64/41/70/658644170.db2.gz FOSMFLLXVRIPIG-MYLCLEHYSA-N 1 0 383.539 1.948 20 0 GDADRO Cc1cc(NC(=O)C[NH2+]C2CC(S(C)(=O)=O)C2)ccc1Br ZINC000894989292 658645448 /nfs/dbraw/zinc/64/54/48/658645448.db2.gz ZJHCWKYNPNJLFY-UHFFFAOYSA-N 1 0 375.288 1.861 20 0 GDADRO CCCN1C[C@@H](C[NH2+]Cc2cn(C)nc2I)CC1=O ZINC000895030892 658651163 /nfs/dbraw/zinc/65/11/63/658651163.db2.gz MPKFOFMAUXYZFB-SNVBAGLBSA-N 1 0 376.242 1.373 20 0 GDADRO C[NH+]1CCC2(CCN2C(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000895088801 658660334 /nfs/dbraw/zinc/66/03/34/658660334.db2.gz SWLOIFDCNXVFNJ-UHFFFAOYSA-N 1 0 383.290 1.491 20 0 GDADRO COC(=O)C[C@@](C)([NH2+]Cc1cn(C)nc1I)C1CC1 ZINC000895451087 658699861 /nfs/dbraw/zinc/69/98/61/658699861.db2.gz FTVPIWJRLORKHP-CYBMUJFWSA-N 1 0 377.226 1.846 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000895748674 658725526 /nfs/dbraw/zinc/72/55/26/658725526.db2.gz IYDZTAGALAZWNY-NSHDSACASA-N 1 0 389.212 1.857 20 0 GDADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc(I)cc1 ZINC000895770771 658727917 /nfs/dbraw/zinc/72/79/17/658727917.db2.gz XKIWQZQDCSUGGT-CYBMUJFWSA-N 1 0 386.233 1.676 20 0 GDADRO COc1cc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc(Br)c1OC ZINC000895775953 658728847 /nfs/dbraw/zinc/72/88/47/658728847.db2.gz WCFMIPBJHNWKJD-HNNXBMFYSA-N 1 0 399.285 1.851 20 0 GDADRO Cc1cc(Br)cn2c(CN3CCC(O)(COCCO)CC3)cnc12 ZINC000895829170 658732486 /nfs/dbraw/zinc/73/24/86/658732486.db2.gz GZTWTNKGBLTREX-UHFFFAOYSA-N 1 0 398.301 1.741 20 0 GDADRO COC[C@H]([NH2+]Cc1cn(C)nc1I)[C@@H]1CCCOC1 ZINC000895858850 658733918 /nfs/dbraw/zinc/73/39/18/658733918.db2.gz LWKCVIJKOFRUMZ-PWSUYJOCSA-N 1 0 379.242 1.556 20 0 GDADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895885155 658737226 /nfs/dbraw/zinc/73/72/26/658737226.db2.gz TZXRIJOWSWKBFY-STQMWFEESA-N 1 0 389.279 1.570 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cn(C)nc2Br)CC1 ZINC000896024908 658745690 /nfs/dbraw/zinc/74/56/90/658745690.db2.gz RGXBUUHGOSQRGM-ZIAGYGMSSA-N 1 0 398.349 1.813 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)c2c[nH]nc2I)CC1 ZINC000896097572 658750075 /nfs/dbraw/zinc/75/00/75/658750075.db2.gz UOJQBBHELBEALB-UHFFFAOYSA-N 1 0 392.241 1.245 20 0 GDADRO CS[C@@H]1CC[C@@H]1[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000896201993 658757344 /nfs/dbraw/zinc/75/73/44/658757344.db2.gz CKTHKAOQQNTSLC-MELADBBJSA-N 1 0 378.560 1.894 20 0 GDADRO CCOC(=O)CS[C@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)C(F)(F)F ZINC000896255841 658761105 /nfs/dbraw/zinc/76/11/05/658761105.db2.gz ACUXLKZHWPHMCA-VXGBXAGGSA-N 1 0 385.452 1.949 20 0 GDADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000896282769 658763868 /nfs/dbraw/zinc/76/38/68/658763868.db2.gz GLCJWENYVWHHKR-OAHLLOKOSA-N 1 0 383.290 1.530 20 0 GDADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1nn2c(c1Br)CCC2 ZINC000896451727 658779600 /nfs/dbraw/zinc/77/96/00/658779600.db2.gz WBFQQJFGLRXFBB-LBPRGKRZSA-N 1 0 397.317 1.823 20 0 GDADRO C[C@@H](NC(=O)Cc1csc(CCC(F)(F)F)n1)[C@H]1C[N@H+](C)CCN1C ZINC000896526216 658784119 /nfs/dbraw/zinc/78/41/19/658784119.db2.gz GRYVOSYQLBNTNW-DGCLKSJQSA-N 1 0 378.464 1.931 20 0 GDADRO C[C@H](NC(=O)c1ccc(C(F)(F)Br)nc1)[C@H]1C[N@H+](C)CCN1C ZINC000896532731 658784758 /nfs/dbraw/zinc/78/47/58/658784758.db2.gz VGYCDYJDIXZASD-CMPLNLGQSA-N 1 0 391.260 1.890 20 0 GDADRO COc1c(Br)ccc(F)c1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896534179 658786023 /nfs/dbraw/zinc/78/60/23/658786023.db2.gz KVEPMVWDOQCVBR-ZWNOBZJWSA-N 1 0 388.281 1.961 20 0 GDADRO C[C@@H](NC(=O)c1cc(Cl)ncc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896539285 658786634 /nfs/dbraw/zinc/78/66/34/658786634.db2.gz LYKGKDGTROTUSJ-BXKDBHETSA-N 1 0 375.698 1.862 20 0 GDADRO C[C@H](NC(=O)c1cc(Br)ncc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896545744 658787883 /nfs/dbraw/zinc/78/78/83/658787883.db2.gz PQEAOITUPLNKGN-JOYOIKCWSA-N 1 0 375.698 1.862 20 0 GDADRO C[C@@H](NC(=O)c1cc(Br)cnc1N(C)C)[C@@H]1C[N@H+](C)CCN1C ZINC000896561750 658790244 /nfs/dbraw/zinc/79/02/44/658790244.db2.gz CHIXFBBNOJIIIG-RISCZKNCSA-N 1 0 384.322 1.274 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2c[nH]nc2I)CCSC1 ZINC000896835934 658809328 /nfs/dbraw/zinc/80/93/28/658809328.db2.gz SZIIYVRTNLKGNP-NSHDSACASA-N 1 0 380.255 1.181 20 0 GDADRO CC(C)(C)OC(=O)N1CCO[C@](C)(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)C1 ZINC000896896779 658812751 /nfs/dbraw/zinc/81/27/51/658812751.db2.gz GZFZKQTZNRFLBM-RHSMWYFYSA-N 1 0 376.519 1.569 20 0 GDADRO CN(C(=O)c1cn(C)nc1Br)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000896990069 658817015 /nfs/dbraw/zinc/81/70/15/658817015.db2.gz ZEHXKPDNAQTGFD-CYBMUJFWSA-N 1 0 384.322 1.423 20 0 GDADRO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897565654 658865379 /nfs/dbraw/zinc/86/53/79/658865379.db2.gz QLLMDAWISKXUAK-YOEHRIQHSA-N 1 0 397.313 1.437 20 0 GDADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c[nH]nc1I ZINC000897607823 658872994 /nfs/dbraw/zinc/87/29/94/658872994.db2.gz GJNAOTLXYCKLHD-JTQLQIEISA-N 1 0 376.242 1.865 20 0 GDADRO C[C@@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C1CCS(=O)(=O)CC1 ZINC000897694309 658880225 /nfs/dbraw/zinc/88/02/25/658880225.db2.gz ZWSNFMUGDQGILN-CXAGYDPISA-N 1 0 376.519 1.161 20 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/nfs/dbraw/zinc/93/00/49/658930049.db2.gz PTBQIPXTIBOGOH-AWEZNQCLSA-N 1 0 398.305 1.682 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ncc(Br)cn1 ZINC000898391631 658931804 /nfs/dbraw/zinc/93/18/04/658931804.db2.gz ITPQUTFKWJXVPK-LBPRGKRZSA-N 1 0 398.305 1.634 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)NCc2ncc(Br)cn2)CC1 ZINC000898401244 658934156 /nfs/dbraw/zinc/93/41/56/658934156.db2.gz NZVRSDRCZIVEKH-UHFFFAOYSA-N 1 0 386.294 1.491 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c[nH]nc1I ZINC000898585475 658940819 /nfs/dbraw/zinc/94/08/19/658940819.db2.gz YUCNCOVLMWAURD-JTQLQIEISA-N 1 0 393.273 1.016 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)cs1)C(N)=O ZINC000898823700 658959808 /nfs/dbraw/zinc/95/98/08/658959808.db2.gz OLFHNNIJDYZSCB-CYZMBNFOSA-N 1 0 382.555 1.641 20 0 GDADRO C[N@@H+]1C[C@@H]2CN([C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@]2(C)C1 ZINC000899255321 658999366 /nfs/dbraw/zinc/99/93/66/658999366.db2.gz RZCAGBNCOIGURI-MRAWALMUSA-N 1 0 392.297 1.965 20 0 GDADRO C[N@H+](CCO)CCNC(=O)c1ncc(Br)cc1Br ZINC000899738185 659057408 /nfs/dbraw/zinc/05/74/08/659057408.db2.gz WGOXJUCWYBVPNG-UHFFFAOYSA-N 1 0 381.068 1.261 20 0 GDADRO Cc1c(Br)cccc1-n1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000899746541 659058829 /nfs/dbraw/zinc/05/88/29/659058829.db2.gz HCQJNGNMHDWLLZ-UHFFFAOYSA-N 1 0 378.274 1.954 20 0 GDADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CNS(=O)(=O)c1cccs1 ZINC000899809680 659060683 /nfs/dbraw/zinc/06/06/83/659060683.db2.gz BXJDLIGMNAJATF-ZDUSSCGKSA-N 1 0 380.495 1.159 20 0 GDADRO COC(=O)[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000900430128 659106580 /nfs/dbraw/zinc/10/65/80/659106580.db2.gz PKFDPJIBHVSHFW-WBVHZDCISA-N 1 0 399.285 1.626 20 0 GDADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)C12CC[NH+](CC1)C2 ZINC000900512594 659116976 /nfs/dbraw/zinc/11/69/76/659116976.db2.gz ZLDOPBKGPXWJLE-UHFFFAOYSA-N 1 0 376.258 1.946 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000900605308 659126575 /nfs/dbraw/zinc/12/65/75/659126575.db2.gz IRRFCBDNXKNDRN-LBPRGKRZSA-N 1 0 382.262 1.332 20 0 GDADRO CC(C)C[C@@H](CNC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)[NH+](C)C ZINC000900683436 659136259 /nfs/dbraw/zinc/13/62/59/659136259.db2.gz ABSSIUUVGGZLDT-HIFRSBDPSA-N 1 0 387.571 1.680 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)Cn2nc(Br)c(Br)n2)CC[N@@H+]1C ZINC000900829957 659151141 /nfs/dbraw/zinc/15/11/41/659151141.db2.gz FMTYTSQSPJNCOR-HTQZYQBOSA-N 1 0 395.099 1.402 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000901105921 659190160 /nfs/dbraw/zinc/19/01/60/659190160.db2.gz VPCPTERFHYZERA-CZUORRHYSA-N 1 0 383.539 1.369 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000901162255 659198680 /nfs/dbraw/zinc/19/86/80/659198680.db2.gz LOIZXWCENRBINZ-MBNYWOFBSA-N 1 0 385.306 1.989 20 0 GDADRO CC[NH+](CC)CCN(C(=O)Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000901213842 659203092 /nfs/dbraw/zinc/20/30/92/659203092.db2.gz PVFZPFJXRSOWHE-HNNXBMFYSA-N 1 0 387.571 1.660 20 0 GDADRO NC(=O)[C@H](NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc(Br)c1 ZINC000901621998 659224164 /nfs/dbraw/zinc/22/41/64/659224164.db2.gz ACPWIHBIHSZCSH-JKSUJKDBSA-N 1 0 382.302 1.818 20 0 GDADRO O=C1[C@@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)CCN1C1CCOCC1 ZINC000901730242 659231199 /nfs/dbraw/zinc/23/11/99/659231199.db2.gz VGYQHFCLBQNFBT-YPMHNXCESA-N 1 0 383.290 1.330 20 0 GDADRO O=C([O-])C[NH+]1CCC([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000902203341 659248155 /nfs/dbraw/zinc/24/81/55/659248155.db2.gz DQBRKBIHZACMHD-UHFFFAOYSA-N 1 0 398.301 1.708 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)s1 ZINC000902790744 659279414 /nfs/dbraw/zinc/27/94/14/659279414.db2.gz QWLUBQHXAYODFW-LLVKDONJSA-N 1 0 385.477 1.995 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)s1 ZINC000903204300 659301239 /nfs/dbraw/zinc/30/12/39/659301239.db2.gz MNBLELKDLJMJCU-UHFFFAOYSA-N 1 0 387.527 1.505 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000903225331 659305196 /nfs/dbraw/zinc/30/51/96/659305196.db2.gz FUHZMCBNEDEXGG-MRXNPFEDSA-N 1 0 392.518 1.940 20 0 GDADRO C[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000903228721 659306923 /nfs/dbraw/zinc/30/69/23/659306923.db2.gz AFBSZCHNOVHTOI-CQSZACIVSA-N 1 0 391.559 1.335 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000903290847 659312239 /nfs/dbraw/zinc/31/22/39/659312239.db2.gz HRFQWDNFPXLRKT-ZDUSSCGKSA-N 1 0 375.516 1.134 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000903492388 659317723 /nfs/dbraw/zinc/31/77/23/659317723.db2.gz ONRHRHSYKGSAKK-QEORTHHSSA-N 1 0 386.901 1.326 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(I)s1 ZINC000903508177 659320353 /nfs/dbraw/zinc/32/03/53/659320353.db2.gz XUROLGGNSXFXIB-YUMQZZPRSA-N 1 0 386.280 1.853 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)N[C@@H]1CCC[NH2+]C1 ZINC000903510377 659321313 /nfs/dbraw/zinc/32/13/13/659321313.db2.gz ICAWXJHVDULDTL-SNVBAGLBSA-N 1 0 377.260 1.349 20 0 GDADRO Cn1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(C2CCCC2)n1 ZINC000903515290 659323717 /nfs/dbraw/zinc/32/37/17/659323717.db2.gz LRVWZRGMYFJMOG-NEPJUHHUSA-N 1 0 380.436 1.835 20 0 GDADRO CC1(NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC[NH2+]CC1 ZINC000903522873 659328566 /nfs/dbraw/zinc/32/85/66/659328566.db2.gz WVXFVJMYQGFXDU-UHFFFAOYSA-N 1 0 391.287 1.739 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(C(F)(F)F)nc1 ZINC000903544930 659335918 /nfs/dbraw/zinc/33/59/18/659335918.db2.gz NWGXNOCSBJRPFE-NSHDSACASA-N 1 0 379.404 1.537 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1Br ZINC000903545538 659336272 /nfs/dbraw/zinc/33/62/72/659336272.db2.gz SWSPFCGTSAQWKT-GFCCVEGCSA-N 1 0 389.315 1.886 20 0 GDADRO O=S(=O)(c1ccccc1OC(F)F)N1CC[NH2+]CCC12CCOCC2 ZINC000903547700 659336634 /nfs/dbraw/zinc/33/66/34/659336634.db2.gz PQRDNPVPARJUNB-UHFFFAOYSA-N 1 0 376.425 1.821 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c1Br ZINC000903547974 659337158 /nfs/dbraw/zinc/33/71/58/659337158.db2.gz ZAFMXQDETJZETL-LBPRGKRZSA-N 1 0 391.335 1.855 20 0 GDADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CC[NH2+]CCC12CCOCC2 ZINC000903549625 659337980 /nfs/dbraw/zinc/33/79/80/659337980.db2.gz NBZNEBJUZDBSTI-UHFFFAOYSA-N 1 0 382.379 1.776 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903551094 659338377 /nfs/dbraw/zinc/33/83/77/659338377.db2.gz UXZAGPWFOLWYQI-CYBMUJFWSA-N 1 0 377.304 1.875 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)Cc1ccc(F)cc1Cl)C2 ZINC000903551883 659338834 /nfs/dbraw/zinc/33/88/34/659338834.db2.gz BUCJSWHQEBICRQ-GHJWDPDVSA-N 1 0 390.864 1.521 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2C[NH2+]CC2(C)C)ccc1Br ZINC000903554582 659339867 /nfs/dbraw/zinc/33/98/67/659339867.db2.gz PKBXGVCVSRGMCK-LBPRGKRZSA-N 1 0 391.287 1.512 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000903562980 659342108 /nfs/dbraw/zinc/34/21/08/659342108.db2.gz MUBRXTDGKKGTSL-KGYLQXTDSA-N 1 0 378.372 1.663 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000903564105 659342532 /nfs/dbraw/zinc/34/25/32/659342532.db2.gz PHVGZSMDLMGNGH-KXUCPTDWSA-N 1 0 384.401 1.151 20 0 GDADRO O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000903565136 659342671 /nfs/dbraw/zinc/34/26/71/659342671.db2.gz RWCJLYUQEKZJPK-KGYLQXTDSA-N 1 0 377.388 1.150 20 0 GDADRO Cc1cc(S(=O)(=O)NCCN2CCC([NH3+])CC2)c(F)cc1Br ZINC000903565733 659343157 /nfs/dbraw/zinc/34/31/57/659343157.db2.gz OYBRIIHBIVSREX-UHFFFAOYSA-N 1 0 394.310 1.598 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000903568548 659343846 /nfs/dbraw/zinc/34/38/46/659343846.db2.gz ZTHVZMWBIRYQIS-CQSZACIVSA-N 1 0 394.946 1.695 20 0 GDADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903570220 659344289 /nfs/dbraw/zinc/34/42/89/659344289.db2.gz WIDGLDHTZNYJLN-FXBDTBDDSA-N 1 0 385.433 1.455 20 0 GDADRO COC(=O)c1cc(C)c(F)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903573216 659345460 /nfs/dbraw/zinc/34/54/60/659345460.db2.gz RKQAPLNYSBLGBD-NXEZZACHSA-N 1 0 384.351 1.431 20 0 GDADRO Cn1cnc(S(=O)(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1Cl ZINC000903574490 659346094 /nfs/dbraw/zinc/34/60/94/659346094.db2.gz SDNMFJYXTZCGDR-MLGOLLRUSA-N 1 0 382.873 1.608 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000903575697 659346939 /nfs/dbraw/zinc/34/69/39/659346939.db2.gz RZNVPMCXXXSGRV-NSHDSACASA-N 1 0 380.919 1.506 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ncccc2Br)CC[C@H]1C(F)(F)F ZINC000903578149 659348927 /nfs/dbraw/zinc/34/89/27/659348927.db2.gz CHCGOIIEHWQDIH-VXNVDRBHSA-N 1 0 388.209 1.744 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cn1C ZINC000903578201 659349216 /nfs/dbraw/zinc/34/92/16/659349216.db2.gz CWEKUUCUTSOEQR-WDEREUQCSA-N 1 0 383.392 1.102 20 0 GDADRO CCOC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903579146 659349888 /nfs/dbraw/zinc/34/98/88/659349888.db2.gz LWMAXKPRVHBYQB-STQMWFEESA-N 1 0 380.388 1.764 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(F)c1 ZINC000903579186 659350133 /nfs/dbraw/zinc/35/01/33/659350133.db2.gz MGJNPJWGLLFVJK-ONGXEEELSA-N 1 0 384.351 1.513 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000903579926 659350477 /nfs/dbraw/zinc/35/04/77/659350477.db2.gz REMKEZIOFFUTFH-DTWKUNHWSA-N 1 0 380.314 1.346 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1C ZINC000903580869 659351474 /nfs/dbraw/zinc/35/14/74/659351474.db2.gz YTMSWWKDKNQHTJ-QWHCGFSZSA-N 1 0 380.388 1.682 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)n1 ZINC000903581468 659351823 /nfs/dbraw/zinc/35/18/23/659351823.db2.gz MHZPQNGJCVZXSR-NKWVEPMBSA-N 1 0 391.213 1.083 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903586441 659354447 /nfs/dbraw/zinc/35/44/47/659354447.db2.gz GCZZUCSGAKQNLK-LBPRGKRZSA-N 1 0 381.267 1.955 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903590456 659356372 /nfs/dbraw/zinc/35/63/72/659356372.db2.gz WLCIXGAXFWVJAH-QMTHXVAHSA-N 1 0 375.288 1.960 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2)C(F)F ZINC000903593110 659357233 /nfs/dbraw/zinc/35/72/33/659357233.db2.gz JXVXFEDJXWLDMA-CQSZACIVSA-N 1 0 380.438 1.200 20 0 GDADRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)N=[S@](C)(=O)N(C)C)CC1 ZINC000903626243 659364015 /nfs/dbraw/zinc/36/40/15/659364015.db2.gz IIDIXJUNUCTWCI-DEOSSOPVSA-N 1 0 388.559 1.797 20 0 GDADRO O=C1NCCN(CC2CC[NH2+]CC2)[C@H]1c1ccc(I)cc1 ZINC000903707566 659376883 /nfs/dbraw/zinc/37/68/83/659376883.db2.gz CMGQVNROIRDYBR-HNNXBMFYSA-N 1 0 399.276 1.764 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N(Cc2cccs2)C2CC2)CC[C@H]1C(F)(F)F ZINC000903720452 659377724 /nfs/dbraw/zinc/37/77/24/659377724.db2.gz MZPLJEWIIPGDKX-CHWSQXEVSA-N 1 0 375.416 1.977 20 0 GDADRO CCCN(CCc1cccs1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903755661 659379037 /nfs/dbraw/zinc/37/90/37/659379037.db2.gz AWZKWOGASUYWEN-CHWSQXEVSA-N 1 0 377.432 1.877 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903791510 659380730 /nfs/dbraw/zinc/38/07/30/659380730.db2.gz GQCGWDKXEFIUIB-LLVKDONJSA-N 1 0 384.249 1.293 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903795792 659381201 /nfs/dbraw/zinc/38/12/01/659381201.db2.gz OPNCKHUDDJEVQF-PXAZEXFGSA-N 1 0 385.917 1.885 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC[NH2+]1 ZINC000903799957 659381571 /nfs/dbraw/zinc/38/15/71/659381571.db2.gz GTRCDQNDKARGNY-SMDDNHRTSA-N 1 0 381.274 1.328 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C[C@H]1C[NH3+] ZINC000903802820 659381709 /nfs/dbraw/zinc/38/17/09/659381709.db2.gz XZBNGWOPEVQSGK-KYOSRNDESA-N 1 0 395.301 1.561 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903801380 659381843 /nfs/dbraw/zinc/38/18/43/659381843.db2.gz NWJWSDRPNSUZSK-SLEUVZQESA-N 1 0 395.301 1.703 20 0 GDADRO CN(C[C@@H](O)COc1cc(F)cc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000903809561 659382028 /nfs/dbraw/zinc/38/20/28/659382028.db2.gz DOOUDHDMYRJHKE-CQSZACIVSA-N 1 0 391.281 1.768 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000903830680 659383039 /nfs/dbraw/zinc/38/30/39/659383039.db2.gz HVMRMGPSIPTXIB-XJKSGUPXSA-N 1 0 384.318 1.937 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000903839503 659383754 /nfs/dbraw/zinc/38/37/54/659383754.db2.gz MGLBQHIODUAQRT-CABCVRRESA-N 1 0 391.281 1.638 20 0 GDADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903969468 659391283 /nfs/dbraw/zinc/39/12/83/659391283.db2.gz GEZBCUWKPKSFIM-YPMHNXCESA-N 1 0 393.322 1.886 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3cncc(Br)c3)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904085398 659394674 /nfs/dbraw/zinc/39/46/74/659394674.db2.gz DVBJVSLVPQXOKP-DLOVCJGASA-N 1 0 399.270 1.069 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(Cc3ccc(F)cc3Cl)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904087714 659395064 /nfs/dbraw/zinc/39/50/64/659395064.db2.gz AOYWTYRRKGTOEM-ZKYQVNSYSA-N 1 0 385.848 1.628 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc([C@@H]3CSc4ccccc43)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904123351 659395982 /nfs/dbraw/zinc/39/59/82/659395982.db2.gz KYEOCVCOYIFHIJ-XTWPYSKKSA-N 1 0 377.491 1.482 20 0 GDADRO Cc1csc([C@@](O)(CC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C(F)(F)F)n1 ZINC000904928833 659414400 /nfs/dbraw/zinc/41/44/00/659414400.db2.gz SWMQJSQKPMFASO-XVKPBYJWSA-N 1 0 379.326 1.987 20 0 GDADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904968922 659415292 /nfs/dbraw/zinc/41/52/92/659415292.db2.gz FFDZNAJZOITLNO-UHFFFAOYSA-N 1 0 388.295 1.918 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Br)c3C2)C1 ZINC000904991336 659415857 /nfs/dbraw/zinc/41/58/57/659415857.db2.gz UIPQBFRBZJBDFX-NSHDSACASA-N 1 0 386.677 1.547 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905022787 659417128 /nfs/dbraw/zinc/41/71/28/659417128.db2.gz GDKKKZGDKJQZDS-AWEZNQCLSA-N 1 0 387.274 1.188 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905010560 659417305 /nfs/dbraw/zinc/41/73/05/659417305.db2.gz XDPCPOMKPKDDFG-KRWDZBQOSA-N 1 0 380.286 1.762 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)C2(O)CCCC2)s1 ZINC000905031430 659418341 /nfs/dbraw/zinc/41/83/41/659418341.db2.gz QQNXXMQVYVDZNX-CQSZACIVSA-N 1 0 376.544 1.534 20 0 GDADRO C[C@](O)(C[NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(F)F ZINC000905048824 659419184 /nfs/dbraw/zinc/41/91/84/659419184.db2.gz FLIILYGZNOSHPA-CJNGLKHVSA-N 1 0 378.441 1.250 20 0 GDADRO CN(C)C1(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCCC1 ZINC000905049195 659419192 /nfs/dbraw/zinc/41/91/92/659419192.db2.gz IJLJCJNUVCPGKU-OAHLLOKOSA-N 1 0 375.579 1.452 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)cc1OC ZINC000905088672 659421740 /nfs/dbraw/zinc/42/17/40/659421740.db2.gz JLYIPHMDRHFZRJ-LRDDRELGSA-N 1 0 390.274 1.458 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@@H](O)C2(O)CCOCC2)cc1OC ZINC000905086161 659421767 /nfs/dbraw/zinc/42/17/67/659421767.db2.gz AMZSKODMPWRMPI-OAHLLOKOSA-N 1 0 390.274 1.458 20 0 GDADRO CC[C@H](CN1CCCC1)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905121641 659425727 /nfs/dbraw/zinc/42/57/27/659425727.db2.gz DJXWAVIONDJBLN-CVEARBPZSA-N 1 0 375.579 1.452 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1)C(F)(F)F ZINC000905158534 659427618 /nfs/dbraw/zinc/42/76/18/659427618.db2.gz HHCJXDLPRRUXQG-ZDUSSCGKSA-N 1 0 388.452 1.336 20 0 GDADRO O[C@@H](C[NH2+]CCc1c[nH]c2cccc(Br)c12)C[C@@]1(O)CCOC1 ZINC000905260832 659438361 /nfs/dbraw/zinc/43/83/61/659438361.db2.gz NSXAYDWWVBYQLW-DYVFJYSZSA-N 1 0 383.286 1.965 20 0 GDADRO CN([C@@H]1CCN(c2ccccc2Cl)C1=O)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905336993 659443978 /nfs/dbraw/zinc/44/39/78/659443978.db2.gz VCIOWYMHBNRPMA-MRXNPFEDSA-N 1 0 385.917 1.707 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2(C)C)s1 ZINC000905355035 659446144 /nfs/dbraw/zinc/44/61/44/659446144.db2.gz ZKEHPDYDRSDMAD-AWEZNQCLSA-N 1 0 387.571 1.872 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000905357348 659446709 /nfs/dbraw/zinc/44/67/09/659446709.db2.gz JLJKCVXEFCUEEE-ZDUSSCGKSA-N 1 0 389.905 1.469 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000905479738 659457196 /nfs/dbraw/zinc/45/71/96/659457196.db2.gz ZXDQERHDFCFUBB-ZDUSSCGKSA-N 1 0 382.404 1.632 20 0 GDADRO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)O2)CO1 ZINC000905484173 659457914 /nfs/dbraw/zinc/45/79/14/659457914.db2.gz HESPHRWEOYVSDZ-CPUCHLNUSA-N 1 0 377.503 1.059 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000905557003 659464792 /nfs/dbraw/zinc/46/47/92/659464792.db2.gz LPIPSNZZCRODHF-HUUCEWRRSA-N 1 0 381.416 1.402 20 0 GDADRO CO[C@]1(C[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000905556267 659464819 /nfs/dbraw/zinc/46/48/19/659464819.db2.gz IAZXQESHNDJXMU-COXVUDFISA-N 1 0 391.917 1.572 20 0 GDADRO C[NH+](C)CCNC(=S)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000905591996 659467715 /nfs/dbraw/zinc/46/77/15/659467715.db2.gz NJIVIKCDKFQJMW-LBPRGKRZSA-N 1 0 380.505 1.904 20 0 GDADRO O=S(=O)(CC[NH2+]CCO[C@H]1CCOC1)c1cccc(Br)c1 ZINC000905609856 659468133 /nfs/dbraw/zinc/46/81/33/659468133.db2.gz PVMSUSNCHQHHSM-ZDUSSCGKSA-N 1 0 378.288 1.618 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000905664551 659472703 /nfs/dbraw/zinc/47/27/03/659472703.db2.gz NLPDFHPRXSDSGT-CQSZACIVSA-N 1 0 382.404 1.634 20 0 GDADRO O=c1ccn(CCC[NH2+]C[C@@H](O)COc2cccc(Br)c2)c(=O)[nH]1 ZINC000905701498 659477620 /nfs/dbraw/zinc/47/76/20/659477620.db2.gz FGCMDBRCYVOJIO-CYBMUJFWSA-N 1 0 398.257 1.131 20 0 GDADRO NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000905791380 659482230 /nfs/dbraw/zinc/48/22/30/659482230.db2.gz ATCOIAUWKZSCEN-UONOGXRCSA-N 1 0 378.416 1.659 20 0 GDADRO CC(C)C[NH+]1CCC(NC(=O)c2cn(C)nc2I)CC1 ZINC000906427167 659539561 /nfs/dbraw/zinc/53/95/61/659539561.db2.gz DYTRZFVLZFXLLS-UHFFFAOYSA-N 1 0 390.269 1.875 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC2)c1 ZINC000906579059 659557269 /nfs/dbraw/zinc/55/72/69/659557269.db2.gz DCNIUCMCBFNBIY-LLVKDONJSA-N 1 0 382.675 1.860 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1nscc1I ZINC000906602761 659560410 /nfs/dbraw/zinc/56/04/10/659560410.db2.gz UGXRYBNQAGMPRT-VIFPVBQESA-N 1 0 394.282 1.113 20 0 GDADRO CN1CC[NH+](CC2CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC2)CC1 ZINC000906629600 659562370 /nfs/dbraw/zinc/56/23/70/659562370.db2.gz JZJBMBRJNVSZHR-CYBMUJFWSA-N 1 0 386.751 1.594 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000906649699 659565063 /nfs/dbraw/zinc/56/50/63/659565063.db2.gz BQAAWJWCONLDMN-HNNXBMFYSA-N 1 0 395.345 1.637 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906672502 659568009 /nfs/dbraw/zinc/56/80/09/659568009.db2.gz XKNQYUXFBPEBSK-NSHDSACASA-N 1 0 381.889 1.701 20 0 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RLKUNTZWZNSPSY-FRRDWIJNSA-N 1 0 398.301 1.386 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)Oc1cccc(Br)c1 ZINC000911211536 659998866 /nfs/dbraw/zinc/99/88/66/659998866.db2.gz YYIHWLHIFFAADN-CHWSQXEVSA-N 1 0 398.301 1.530 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)Oc1cccc(Br)c1 ZINC000911211000 659998901 /nfs/dbraw/zinc/99/89/01/659998901.db2.gz XJZQNBMRQXNACL-NQBHXWOUSA-N 1 0 384.274 1.186 20 0 GDADRO CCc1cnc(CCNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000911254221 660000209 /nfs/dbraw/zinc/00/02/09/660000209.db2.gz FSMZGOVXEZZWCQ-GHMZBOCLSA-N 1 0 378.420 1.102 20 0 GDADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911266785 660001162 /nfs/dbraw/zinc/00/11/62/660001162.db2.gz KOMRPQFSJKORIV-CQSZACIVSA-N 1 0 381.274 1.376 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000911267864 660001163 /nfs/dbraw/zinc/00/11/63/660001163.db2.gz AIEKUFGPQXYDGL-OLZOCXBDSA-N 1 0 396.329 1.815 20 0 GDADRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC000911299427 660002238 /nfs/dbraw/zinc/00/22/38/660002238.db2.gz UTNDLXDJFGHFNL-ZWNOBZJWSA-N 1 0 375.416 1.829 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)CC[NH2+]1 ZINC000911303097 660002571 /nfs/dbraw/zinc/00/25/71/660002571.db2.gz NGHOAJGWOGJWCY-GXFFZTMASA-N 1 0 398.276 1.730 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)CC2 ZINC000911310829 660003049 /nfs/dbraw/zinc/00/30/49/660003049.db2.gz OEVRSPRVJYFPAA-DOMZBBRYSA-N 1 0 394.313 1.886 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2CC23CCSCC3)CC[C@@H]1C(F)(F)F ZINC000911313130 660003245 /nfs/dbraw/zinc/00/32/45/660003245.db2.gz CJTOZGBCVCMZLC-GRYCIOLGSA-N 1 0 379.448 1.374 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000911312115 660003271 /nfs/dbraw/zinc/00/32/71/660003271.db2.gz VDOJUARWTLEOBF-KCPJHIHWSA-N 1 0 395.301 1.751 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cccc(Cl)c2Cl)C[C@H]1C(F)(F)F 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660010275 /nfs/dbraw/zinc/01/02/75/660010275.db2.gz OQLIBVSNMGSGSB-KGYLQXTDSA-N 1 0 376.507 1.805 20 0 GDADRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c(I)n1 ZINC000911577928 660011275 /nfs/dbraw/zinc/01/12/75/660011275.db2.gz GALILUUIMFAXEA-VHSXEESVSA-N 1 0 376.242 1.483 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCc1ccc(Br)cc1F)C2 ZINC000911576986 660011292 /nfs/dbraw/zinc/01/12/92/660011292.db2.gz ZJFVONDTTDMWDU-BIMULSAOSA-N 1 0 384.249 1.543 20 0 GDADRO CC(=O)N1CCC(NC(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)CC1 ZINC000911632240 660012927 /nfs/dbraw/zinc/01/29/27/660012927.db2.gz DEKLQJFORMTYAN-HNNXBMFYSA-N 1 0 382.302 1.836 20 0 GDADRO Nc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1Br ZINC000911704260 660017335 /nfs/dbraw/zinc/01/73/35/660017335.db2.gz CQPXUDIVFMERNO-CYBMUJFWSA-N 1 0 395.301 1.315 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cnc(CCC(F)(F)F)s2)C1 ZINC000911729738 660017692 /nfs/dbraw/zinc/01/76/92/660017692.db2.gz IDLIANZNNLGSCR-SNVBAGLBSA-N 1 0 378.420 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C[C@@]1(NC(=O)c2nscc2I)C[NH+]2CCC1CC2 ZINC000912373900 660034349 /nfs/dbraw/zinc/03/43/49/660034349.db2.gz INXZOCHMTCRIMQ-GFCCVEGCSA-N 1 0 377.251 1.962 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)C(F)(F)c1ncccc1Br ZINC000912387708 660034614 /nfs/dbraw/zinc/03/46/14/660034614.db2.gz SLLUAAMQOUJKNN-UHFFFAOYSA-N 1 0 393.276 1.936 20 0 GDADRO COC(=O)C[C@@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000912454467 660037655 /nfs/dbraw/zinc/03/76/55/660037655.db2.gz MVGBRLDPDXMGBN-PBHICJAKSA-N 1 0 399.285 1.674 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912598794 660043939 /nfs/dbraw/zinc/04/39/39/660043939.db2.gz GOEWZSGBKWYIPZ-RDBSUJKOSA-N 1 0 377.576 1.036 20 0 GDADRO O=C(c1ccc(-n2cc(Br)cn2)nn1)N1CCC([NH+]2CCC2)CC1 ZINC000912878280 660057237 /nfs/dbraw/zinc/05/72/37/660057237.db2.gz QBBQSEDKQXGRJY-UHFFFAOYSA-N 1 0 391.273 1.735 20 0 GDADRO O=C(c1ccc(N2CCCS2(=O)=O)cc1Cl)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915497 660059728 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CS(=O)(=O)Nc1cc(C(=O)NC23CC[NH+](CC2)C3)cc(C(F)(F)F)c1 ZINC000913633899 660090348 /nfs/dbraw/zinc/09/03/48/660090348.db2.gz UEVJGRJDLZYMDX-UHFFFAOYSA-N 1 0 377.388 1.655 20 0 GDADRO CN1CCN(c2cc[nH+]c(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)c2)CC1 ZINC000913666022 660091387 /nfs/dbraw/zinc/09/13/87/660091387.db2.gz QQVUGNUUQXEHBV-NSHDSACASA-N 1 0 381.691 1.893 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000913682898 660092199 /nfs/dbraw/zinc/09/21/99/660092199.db2.gz BSKFDWWSHHVOBK-UHFFFAOYSA-N 1 0 388.295 1.638 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913694904 660092590 /nfs/dbraw/zinc/09/25/90/660092590.db2.gz JLIATZCAKBSYHW-UHFFFAOYSA-N 1 0 386.290 1.779 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cnc(Br)cn2)C1 ZINC000913920155 660104996 /nfs/dbraw/zinc/10/49/96/660104996.db2.gz IXQQZSNNNGGUJK-ZDUSSCGKSA-N 1 0 386.294 1.395 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@@]1(OC)CCS(=O)(=O)C1)CC(C)C ZINC000913998649 660109401 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1.320 20 0 GDADRO Cc1n[nH]cc1CCC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000915228210 660165236 /nfs/dbraw/zinc/16/52/36/660165236.db2.gz VUMHOVUIZZRKRE-AWEZNQCLSA-N 1 0 385.921 1.958 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000915284038 660167056 /nfs/dbraw/zinc/16/70/56/660167056.db2.gz YBNQYZCDRJELJS-LBPRGKRZSA-N 1 0 380.495 1.450 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000915682898 660176618 /nfs/dbraw/zinc/17/66/18/660176618.db2.gz WJHCSTSFJNQRNV-RRFJBIMHSA-N 1 0 386.949 1.921 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000916024051 660182957 /nfs/dbraw/zinc/18/29/57/660182957.db2.gz DUWCPMLEEPHALB-GJZGRUSLSA-N 1 0 382.555 1.850 20 0 GDADRO C[C@H]1[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C ZINC000380595919 677677087 /nfs/dbraw/zinc/67/70/87/677677087.db2.gz AOAMCXVXFHQMDF-DZGCQCFKSA-N 1 0 375.535 1.788 20 0 GDADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000389752153 677677735 /nfs/dbraw/zinc/67/77/35/677677735.db2.gz MFEKMMUORLSIQM-UKRRQHHQSA-N 1 0 375.535 1.646 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000393977065 677678139 /nfs/dbraw/zinc/67/81/39/677678139.db2.gz FAEWQWTUGRABEQ-OAHLLOKOSA-N 1 0 375.535 1.790 20 0 GDADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc(Cl)cc3Cl)C[C@H]2O)CC[N@@H+]1C ZINC001077023683 677680424 /nfs/dbraw/zinc/68/04/24/677680424.db2.gz NNJGZIGHTCKGIN-MDNXKNQGSA-N 1 0 386.323 1.995 20 0 GDADRO CN1CCN(c2nccc(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)n2)CC1 ZINC001164386961 718815417 /nfs/dbraw/zinc/81/54/17/718815417.db2.gz CLMWTMZZGZXXKL-HNNXBMFYSA-N 1 0 384.450 1.739 20 0 GDADRO c1cc(-c2cnc(N3CCCCC3)nc2)nc(N2CCN3CC[NH2+]C[C@H]3C2)n1 ZINC001164399111 718835925 /nfs/dbraw/zinc/83/59/25/718835925.db2.gz ODNCUHILNKDTDS-KRWDZBQOSA-N 1 0 380.500 1.018 20 0 GDADRO CCOC(=O)c1sc2nc(C)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1C ZINC001164407291 718838979 /nfs/dbraw/zinc/83/89/79/718838979.db2.gz UWWBSZWYPYPYMG-ZDUSSCGKSA-N 1 0 375.498 1.579 20 0 GDADRO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)cnc1Cl ZINC001164406375 718855051 /nfs/dbraw/zinc/85/50/51/718855051.db2.gz NOTNAQGVCDBCRT-SMDDNHRTSA-N 1 0 395.859 1.092 20 0 GDADRO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164408972 718864613 /nfs/dbraw/zinc/86/46/13/718864613.db2.gz OGCZEOTXCRMUHO-RWSFTLGLSA-N 1 0 380.798 1.750 20 0 GDADRO CS(=O)(=O)c1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)cnc1Cl ZINC001164407051 718866332 /nfs/dbraw/zinc/86/63/32/718866332.db2.gz INXMFKPISWCNBY-CMPLNLGQSA-N 1 0 395.859 1.498 20 0 GDADRO O=C1NCCN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)C12C[NH2+]C2 ZINC001164410729 718878277 /nfs/dbraw/zinc/87/82/77/718878277.db2.gz GLSFHAIUBWNZEK-UHFFFAOYSA-N 1 0 388.205 1.760 20 0 GDADRO O=C1NCCN([C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)C12C[NH2+]C2 ZINC001164413466 718879306 /nfs/dbraw/zinc/87/93/06/718879306.db2.gz IUFHOLYTLDSFHL-MRXNPFEDSA-N 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1.348 20 0 GDADRO Cc1cc(NC[C@@H]2CCCN2C(=O)C[C@H]2CCCOC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571265714 945518453 /nfs/dbraw/zinc/51/84/53/945518453.db2.gz IXNCHMDXGXHFLJ-CABCVRRESA-N 1 0 385.472 1.212 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@@H]2C[N@@H+](C[C@H]3CCCCO3)CC[C@@H]2C1 ZINC001571266420 945542826 /nfs/dbraw/zinc/54/28/26/945542826.db2.gz QHRCZTFGZOYKBC-QLFBSQMISA-N 1 0 385.472 1.158 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)CCn1cccn1 ZINC001571271658 945647109 /nfs/dbraw/zinc/64/71/09/945647109.db2.gz GTWNGTOTNLLELY-STQMWFEESA-N 1 0 386.485 1.294 20 0 GDADRO Cc1nc(C[NH2+]C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c(C)s1 ZINC001571271694 945648180 /nfs/dbraw/zinc/64/81/80/945648180.db2.gz HHTIUWZVECCPGF-LBPRGKRZSA-N 1 0 386.485 1.520 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821189222 945648354 /nfs/dbraw/zinc/64/83/54/945648354.db2.gz JHMFVLOVRJUUHV-AWEZNQCLSA-N 1 0 391.451 1.970 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821189381 945649036 /nfs/dbraw/zinc/64/90/36/945649036.db2.gz LDJQVYQSXONMGW-CYBMUJFWSA-N 1 0 393.517 1.299 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821188878 945649792 /nfs/dbraw/zinc/64/97/92/945649792.db2.gz DSUPLDILDJCQGG-QGZVFWFLSA-N 1 0 387.488 1.238 20 0 GDADRO CC[C@H](C)C[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001571272075 945654963 /nfs/dbraw/zinc/65/49/63/945654963.db2.gz OUKTVYMNRWLIOB-HOCLYGCPSA-N 1 0 386.504 1.073 20 0 GDADRO O=C(Cc1ncc[nH]1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272117 945655384 /nfs/dbraw/zinc/65/53/84/945655384.db2.gz PRWLWMHUKICJSV-LBPRGKRZSA-N 1 0 386.485 1.222 20 0 GDADRO CC(C)[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[nH]n3)nc2)CC1)[NH+](C)C ZINC001571272272 945658684 /nfs/dbraw/zinc/65/86/84/945658684.db2.gz QIPCVBYAQJOTFA-MRXNPFEDSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@H]1CN(C(=O)Cc2cc[nH]n2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571272332 945659662 /nfs/dbraw/zinc/65/96/62/945659662.db2.gz SCMSAPNCDYVEDE-SMDDNHRTSA-N 1 0 386.485 1.221 20 0 GDADRO CC[C@@H](C(=O)N1CC[C@@H](CN(C)c2nc(C)ccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571272360 945661830 /nfs/dbraw/zinc/66/18/30/945661830.db2.gz SXNRUJMGZHCCSN-HOCLYGCPSA-N 1 0 386.504 1.195 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1C[NH2+]Cc1ccns1 ZINC001571272761 945671124 /nfs/dbraw/zinc/67/11/24/945671124.db2.gz ZODWIMBODAKZAM-XHDPSFHLSA-N 1 0 386.485 1.682 20 0 GDADRO CN(C(=O)CC1OCCCO1)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571275901 945718599 /nfs/dbraw/zinc/71/85/99/945718599.db2.gz FFPMEZZPJUEYQD-INIZCTEOSA-N 1 0 386.456 1.053 20 0 GDADRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821629931 945757683 /nfs/dbraw/zinc/75/76/83/945757683.db2.gz GTVPZOAAMWJUBA-NXEZZACHSA-N 1 0 379.852 1.161 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ccns1 ZINC001571279749 945786102 /nfs/dbraw/zinc/78/61/02/945786102.db2.gz UPPRJGFSVXKOIH-YGRLFVJLSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001571281927 945821010 /nfs/dbraw/zinc/82/10/10/945821010.db2.gz PTOCSXKHANVIBQ-RYUDHWBXSA-N 1 0 387.469 1.486 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571281988 945825103 /nfs/dbraw/zinc/82/51/03/945825103.db2.gz QPXCMIFVIGFGCP-CZUORRHYSA-N 1 0 387.488 1.274 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282966 945868605 /nfs/dbraw/zinc/86/86/05/945868605.db2.gz WSFNOFHYBASKET-XJKSGUPXSA-N 1 0 387.463 1.038 20 0 GDADRO O=C([C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571283013 945873201 /nfs/dbraw/zinc/87/32/01/945873201.db2.gz XZEXKZPQZSUQHZ-OYYCAODRSA-N 1 0 387.447 1.282 20 0 GDADRO CC1(Nc2cccc(F)c2-c2nn[nH]n2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001571283079 945875687 /nfs/dbraw/zinc/87/56/87/945875687.db2.gz 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388.422 1.946 20 0 GDADRO CC[C@@H](OC)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(F)c(-c3nn[nH]n3)c1)C2 ZINC001571287996 945980777 /nfs/dbraw/zinc/98/07/77/945980777.db2.gz KTQOZHXCSLMPQN-MRXNPFEDSA-N 1 0 388.447 1.465 20 0 GDADRO C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571288317 945984861 /nfs/dbraw/zinc/98/48/61/945984861.db2.gz NYLYOIFRIMLTJX-MLGOLLRUSA-N 1 0 388.447 1.247 20 0 GDADRO C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288706 945990999 /nfs/dbraw/zinc/99/09/99/945990999.db2.gz RJQNYLVZJZNOHH-BLLLJJGKSA-N 1 0 388.447 1.511 20 0 GDADRO COCC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571288763 945992744 /nfs/dbraw/zinc/99/27/44/945992744.db2.gz SZSJVWVXHOLJNQ-IBGZPJMESA-N 1 0 388.447 1.467 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)[C@H]1CCCCO1 ZINC001571289209 945998281 /nfs/dbraw/zinc/99/82/81/945998281.db2.gz XGVTWLTXWJTYHR-SRCQZFHVSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1Nc1ncc(-c2nn[nH]n2)cc1F ZINC001571289898 946023664 /nfs/dbraw/zinc/02/36/64/946023664.db2.gz PGXPLOOHGDUBOE-SMDDNHRTSA-N 1 0 388.451 1.144 20 0 GDADRO COc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)o1 ZINC001571290303 946038467 /nfs/dbraw/zinc/03/84/67/946038467.db2.gz ZYYRARBTVQLOSF-JQWIXIFHSA-N 1 0 388.453 1.923 20 0 GDADRO Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000822431660 946090446 /nfs/dbraw/zinc/09/04/46/946090446.db2.gz DSGDQFCFPBTMEE-YJBOKZPZSA-N 1 0 382.472 1.521 20 0 GDADRO O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2)C1CC(F)(F)C1 ZINC001571292384 946096833 /nfs/dbraw/zinc/09/68/33/946096833.db2.gz YRQYQNHCHKVBQK-KGLIPLIRSA-N 1 0 389.410 1.568 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC001573477618 946141372 /nfs/dbraw/zinc/14/13/72/946141372.db2.gz STEGZWBAPVFPCH-SUMWQHHRSA-N 1 0 387.488 1.012 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H]([NH2+]Cc2cccc(F)c2Cl)C1 ZINC001571294888 946147672 /nfs/dbraw/zinc/14/76/72/946147672.db2.gz PGAIHSOTYZWUEP-GFCCVEGCSA-N 1 0 389.822 1.992 20 0 GDADRO CC[C@H](C(=O)N1CC[C@H](CN(C)c2cccc(F)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571295502 946166540 /nfs/dbraw/zinc/16/65/40/946166540.db2.gz VNZSTPGHCQRBDR-UKRRQHHQSA-N 1 0 389.479 1.631 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@]3(CCN(c4cc[nH+]cc4-c4nn[nH]n4)C3)C2)cn1 ZINC001571298173 946207837 /nfs/dbraw/zinc/20/78/37/946207837.db2.gz BGSRWNLWXONSPW-FQEVSTJZSA-N 1 0 390.451 1.708 20 0 GDADRO CC(C)(O)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571298481 946218743 /nfs/dbraw/zinc/21/87/43/946218743.db2.gz PBYABEXAYAIROG-CQSZACIVSA-N 1 0 390.463 1.638 20 0 GDADRO Cc1nc(Cl)sc1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571299026 946237868 /nfs/dbraw/zinc/23/78/68/946237868.db2.gz HGZBTCVIROBAIU-KYZUINATSA-N 1 0 390.860 1.475 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)C ZINC001571299040 946238727 /nfs/dbraw/zinc/23/87/27/946238727.db2.gz TULADBZFGQRPNX-NVXWUHKLSA-N 1 0 390.463 1.757 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ncc(-c4nn[nH]n4)cc3Cl)C2)C1 ZINC001571299138 946239712 /nfs/dbraw/zinc/23/97/12/946239712.db2.gz IYKYRMVFGKFOSU-WZRBSPASSA-N 1 0 390.879 1.174 20 0 GDADRO O=C(CN1CC[C@H](C[NH+]2CCCCC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822991437 946248643 /nfs/dbraw/zinc/24/86/43/946248643.db2.gz CUVKZWCEFXLQRL-QGZVFWFLSA-N 1 0 383.500 1.291 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C)SC)C2)cc1-c1nn[nH]n1 ZINC001571299714 946260181 /nfs/dbraw/zinc/26/01/81/946260181.db2.gz OUMVAPDQJDFOLB-JSGCOSHPSA-N 1 0 390.513 1.707 20 0 GDADRO CCO[C@@H]1C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571299860 946265411 /nfs/dbraw/zinc/26/54/11/946265411.db2.gz PQTIKFNNIQJZIA-LSDHHAIUSA-N 1 0 390.513 1.681 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3COc4ccccc43)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571302934 946318813 /nfs/dbraw/zinc/31/88/13/946318813.db2.gz DSKRYSYDRCYBHF-XJKSGUPXSA-N 1 0 391.435 1.181 20 0 GDADRO O=C(CCn1cccc1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001571305814 946376187 /nfs/dbraw/zinc/37/61/87/946376187.db2.gz KPULURRFJMGULR-KDURUIRLSA-N 1 0 391.479 1.649 20 0 GDADRO C[C@]1(NC(=O)c2csc(=O)[nH]2)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571305897 946379238 /nfs/dbraw/zinc/37/92/38/946379238.db2.gz NFPUJMQJUUYKRU-HNNXBMFYSA-N 1 0 391.482 1.485 20 0 GDADRO O=C(CCn1cccc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571306693 946406979 /nfs/dbraw/zinc/40/69/79/946406979.db2.gz ZQOKQWOEWWXLAH-KDURUIRLSA-N 1 0 391.479 1.934 20 0 GDADRO Cc1ccc(CC(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571307210 946421191 /nfs/dbraw/zinc/42/11/91/946421191.db2.gz ZVDSXHGZCJYDGV-UHFFFAOYSA-N 1 0 391.479 1.892 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001571307859 946426664 /nfs/dbraw/zinc/42/66/64/946426664.db2.gz IBRQQQCFAWKBAE-CYBMUJFWSA-N 1 0 392.410 1.611 20 0 GDADRO CCc1ccnc(C(=O)N2CC[C@](C)(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571312913 946505400 /nfs/dbraw/zinc/50/54/00/946505400.db2.gz FMPJXALYMOSXGW-HXUWFJFHSA-N 1 0 392.467 1.605 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)c1cnn2c1CCC2 ZINC001571312921 946506490 /nfs/dbraw/zinc/50/64/90/946506490.db2.gz FSFXECOVCPGXBE-CXAGYDPISA-N 1 0 392.467 1.260 20 0 GDADRO CN(C)c1ccnc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571313477 946522354 /nfs/dbraw/zinc/52/23/54/946522354.db2.gz PPEDJIHXVDBCHK-INIZCTEOSA-N 1 0 392.467 1.332 20 0 GDADRO C[C@H]1CN(C(=O)c2cncnc2)CC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571313725 946531085 /nfs/dbraw/zinc/53/10/85/946531085.db2.gz UTHYSAYDGYZSII-WMLDXEAASA-N 1 0 392.467 1.545 20 0 GDADRO CCc1ccc(CC(=O)N2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2C)nc1 ZINC001571314031 946540183 /nfs/dbraw/zinc/54/01/83/946540183.db2.gz YYGKBAHDXSKJGF-BBRMVZONSA-N 1 0 392.467 1.285 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2(C)C)nn1 ZINC001571315131 946547886 /nfs/dbraw/zinc/54/78/86/946547886.db2.gz GLHJYGKOWREFFB-QGZVFWFLSA-N 1 0 392.467 1.606 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)n(C)n1 ZINC001571315682 946558202 /nfs/dbraw/zinc/55/82/02/946558202.db2.gz NYZKBWASWRQVMX-ZACQAIPSSA-N 1 0 392.467 1.444 20 0 GDADRO Cc1cc(NC2CC(N(C)C(=O)c3cc(C)c(C)cn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315846 946560645 /nfs/dbraw/zinc/56/06/45/946560645.db2.gz PJBLUQIZWQLECS-UHFFFAOYSA-N 1 0 392.467 1.719 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571316174 946569488 /nfs/dbraw/zinc/56/94/88/946569488.db2.gz VKJDOYHUUGDSPA-YLJYHZDGSA-N 1 0 392.467 1.825 20 0 GDADRO Cc1cc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4-c4nn[nH]n4)C3)C2)[nH]n1 ZINC001571316306 946572436 /nfs/dbraw/zinc/57/24/36/946572436.db2.gz YVMUXDVJROHOEU-FQEVSTJZSA-N 1 0 392.467 1.636 20 0 GDADRO Cc1cncc(C(=O)N2CC[C@@H](C)[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571316498 946579319 /nfs/dbraw/zinc/57/93/19/946579319.db2.gz DPIXMSVGKNLRCR-ZBFHGGJFSA-N 1 0 392.467 1.597 20 0 GDADRO Cc1cnc(C(=O)N[C@H]2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)cc1C ZINC001571316695 946584424 /nfs/dbraw/zinc/58/44/24/946584424.db2.gz KBAWLAYFQMWEHJ-HOCLYGCPSA-N 1 0 392.467 1.706 20 0 GDADRO Cn1ccc(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@@]3(C)C2)n1 ZINC001571316670 946585521 /nfs/dbraw/zinc/58/55/21/946585521.db2.gz JNRAXTJXZDFZFI-UZLBHIALSA-N 1 0 392.467 1.194 20 0 GDADRO O=C(CCc1ccncc1)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571316738 946587086 /nfs/dbraw/zinc/58/70/86/946587086.db2.gz LCOPPYGYAKHKSB-INIZCTEOSA-N 1 0 392.467 1.504 20 0 GDADRO Cn1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001571317209 946604390 /nfs/dbraw/zinc/60/43/90/946604390.db2.gz YAGTVRQZOHRKQW-ALOPSCKCSA-N 1 0 392.467 1.526 20 0 GDADRO O=C(CC1OCCCO1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571317411 946608995 /nfs/dbraw/zinc/60/89/95/946608995.db2.gz HADPKTVQFZPCIA-GFCCVEGCSA-N 1 0 392.485 1.162 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573522218 946623287 /nfs/dbraw/zinc/62/32/87/946623287.db2.gz CILKFNFCPCNZMG-QWHCGFSZSA-N 1 0 387.488 1.012 20 0 GDADRO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1)[NH+](C)C ZINC001571317865 946623647 /nfs/dbraw/zinc/62/36/47/946623647.db2.gz XWKJCALANDGELB-HONMWMINSA-N 1 0 392.895 1.514 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000824413325 946695838 /nfs/dbraw/zinc/69/58/38/946695838.db2.gz KRMGDKXLISQFFT-HNNXBMFYSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1)[NH+](C)C ZINC000824420409 946699871 /nfs/dbraw/zinc/69/98/71/946699871.db2.gz JLRJPBFIVLXWOL-SNVBAGLBSA-N 1 0 389.851 1.777 20 0 GDADRO C[C@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)CN1CCOCC1 ZINC000824429468 946706593 /nfs/dbraw/zinc/70/65/93/946706593.db2.gz XNZDBFOZBZVTTM-QGZVFWFLSA-N 1 0 399.543 1.389 20 0 GDADRO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573541853 946790910 /nfs/dbraw/zinc/79/09/10/946790910.db2.gz VXWFIGQUCUKYPE-SUMWQHHRSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCc1cccc(F)c1 ZINC000824999942 947033046 /nfs/dbraw/zinc/03/30/46/947033046.db2.gz KURBCKRJKYDCMB-CQSZACIVSA-N 1 0 382.447 1.939 20 0 GDADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825068701 947064210 /nfs/dbraw/zinc/06/42/10/947064210.db2.gz VNFAFWUSNCMZAJ-QWHCGFSZSA-N 1 0 382.472 1.660 20 0 GDADRO CC[C@H](CNC(=O)Cc1noc(C)c1-c1nn[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000825122128 947088347 /nfs/dbraw/zinc/08/83/47/947088347.db2.gz XFIIYKRVFMWFFB-MRXNPFEDSA-N 1 0 395.467 1.659 20 0 GDADRO CCOc1cccc([C@@H]2C[C@H]2[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825648737 947269797 /nfs/dbraw/zinc/26/97/97/947269797.db2.gz ACZCBSBHSPEOPY-KSZLIROESA-N 1 0 378.436 1.938 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573592530 947338212 /nfs/dbraw/zinc/33/82/12/947338212.db2.gz DOFRFLZNYHOZQZ-RHSMWYFYSA-N 1 0 380.456 1.357 20 0 GDADRO C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573592729 947350043 /nfs/dbraw/zinc/35/00/43/947350043.db2.gz FXSSXIKYZIKBOH-IGEOTXOUSA-N 1 0 380.456 1.403 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C1CCCC1 ZINC001573593176 947364400 /nfs/dbraw/zinc/36/44/00/947364400.db2.gz REGCYPKHYRATBQ-DZGCQCFKSA-N 1 0 387.488 1.344 20 0 GDADRO C[C@@H](C(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573593770 947376182 /nfs/dbraw/zinc/37/61/82/947376182.db2.gz VSNODQDEBTVOOD-CJNGLKHVSA-N 1 0 387.488 1.395 20 0 GDADRO CN1CCC[C@H]([NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)C1=O ZINC000826028548 947407048 /nfs/dbraw/zinc/40/70/48/947407048.db2.gz CCRMJWZIHIXTAH-INIZCTEOSA-N 1 0 383.456 1.138 20 0 GDADRO C[N@@H+]1CCCC12CCN([C@H]1CCCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000826033512 947413853 /nfs/dbraw/zinc/41/38/53/947413853.db2.gz FUMHPPYHTHPYKT-SFHVURJKSA-N 1 0 395.511 1.922 20 0 GDADRO C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573596909 947433693 /nfs/dbraw/zinc/43/36/93/947433693.db2.gz LZLDFVPOMAPKMA-HNNXBMFYSA-N 1 0 382.472 1.605 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccc1 ZINC001573598851 947446645 /nfs/dbraw/zinc/44/66/45/947446645.db2.gz SMNSBEXAMQQISO-MAUKXSAKSA-N 1 0 379.468 1.962 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573599016 947449484 /nfs/dbraw/zinc/44/94/84/947449484.db2.gz UGGDDLJPFVZUCI-DOMZBBRYSA-N 1 0 390.463 1.351 20 0 GDADRO COCCN1CC[C@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826159312 947502090 /nfs/dbraw/zinc/50/20/90/947502090.db2.gz AWXVLYBAPAAVRZ-IBGZPJMESA-N 1 0 385.516 1.141 20 0 GDADRO C[C@@H](C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573614221 947581402 /nfs/dbraw/zinc/58/14/02/947581402.db2.gz DGPWQGBEIRZACF-AWEZNQCLSA-N 1 0 380.456 1.539 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1-c1nn[nH]n1 ZINC000826194318 947590385 /nfs/dbraw/zinc/59/03/85/947590385.db2.gz IWVDQAGBEXAPEU-NVXWUHKLSA-N 1 0 383.456 1.697 20 0 GDADRO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1-c1nn[nH]n1 ZINC000826198123 947596368 /nfs/dbraw/zinc/59/63/68/947596368.db2.gz NAYMOARKXYFCMQ-GOEBONIOSA-N 1 0 385.472 1.501 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573615893 947612294 /nfs/dbraw/zinc/61/22/94/947612294.db2.gz UEZKYUDLGUHZKX-OLMNPRSZSA-N 1 0 392.467 1.500 20 0 GDADRO C[C@@H](C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)C(F)(F)F ZINC001573616215 947618874 /nfs/dbraw/zinc/61/88/74/947618874.db2.gz VSHWQCQDTNZSMI-CABZTGNLSA-N 1 0 383.378 1.531 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573619565 947667626 /nfs/dbraw/zinc/66/76/26/947667626.db2.gz VSFNIFJNMFSELZ-XJKSGUPXSA-N 1 0 383.431 1.759 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccc(F)c1 ZINC001573624837 947696934 /nfs/dbraw/zinc/69/69/34/947696934.db2.gz MSKPAGZLJQAAMI-DOMZBBRYSA-N 1 0 381.415 1.639 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573625213 947698595 /nfs/dbraw/zinc/69/85/95/947698595.db2.gz NZDHTKMKVIPARB-GXTWGEPZSA-N 1 0 384.419 1.154 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573369808 947776997 /nfs/dbraw/zinc/77/69/97/947776997.db2.gz XATFBILOPGGIJJ-SJKOYZFVSA-N 1 0 388.447 1.702 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001573373126 947788465 /nfs/dbraw/zinc/78/84/65/947788465.db2.gz AZSQRGRGCOWDAB-HZPDHXFCSA-N 1 0 383.456 1.282 20 0 GDADRO Cc1ccc([C@H](CNC(=O)Cc2noc(C)c2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000826283959 947815699 /nfs/dbraw/zinc/81/56/99/947815699.db2.gz GKKMSEFLAOCLNM-AWEZNQCLSA-N 1 0 385.428 1.560 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001573376181 947831043 /nfs/dbraw/zinc/83/10/43/947831043.db2.gz SQVBDAXPPLAWDC-GDBMZVCRSA-N 1 0 385.472 1.803 20 0 GDADRO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2ccccc2-c2nn[nH]n2)cc1 ZINC000826288059 947838288 /nfs/dbraw/zinc/83/82/88/947838288.db2.gz PEXRRTFCIXMVEQ-UHFFFAOYSA-N 1 0 380.452 1.998 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573378001 947852859 /nfs/dbraw/zinc/85/28/59/947852859.db2.gz USOVYHUOWYUVMU-HNNXBMFYSA-N 1 0 388.447 1.846 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1)n1cccc1 ZINC001573647412 947891954 /nfs/dbraw/zinc/89/19/54/947891954.db2.gz KJACISPKARLUDR-RYQLBKOJSA-N 1 0 391.479 1.820 20 0 GDADRO CC(=O)N(C)CC(=O)N(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573390104 947928020 /nfs/dbraw/zinc/92/80/20/947928020.db2.gz WHEZNLNJHIVQNY-UHFFFAOYSA-N 1 0 387.488 1.014 20 0 GDADRO C[C@H](C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001573652498 947939718 /nfs/dbraw/zinc/93/97/18/947939718.db2.gz CVMAZSLUNPFTQP-RFAUZJTJSA-N 1 0 383.378 1.579 20 0 GDADRO Cc1onc(CC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1-c1nn[nH]n1 ZINC000826344274 948004605 /nfs/dbraw/zinc/00/46/05/948004605.db2.gz CECZBHHMKHSXQU-UKRRQHHQSA-N 1 0 387.488 1.819 20 0 GDADRO Cc1onc(CC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1-c1nn[nH]n1 ZINC000826346592 948042606 /nfs/dbraw/zinc/04/26/06/948042606.db2.gz PWPLIJYFDBGKMI-UHFFFAOYSA-N 1 0 395.467 1.659 20 0 GDADRO Cc1onc(CC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826346869 948045049 /nfs/dbraw/zinc/04/50/49/948045049.db2.gz XWJOZECARJTYSD-UHFFFAOYSA-N 1 0 395.467 1.529 20 0 GDADRO Cc1onc(CC(=O)NCCCCCCC[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000826347017 948047462 /nfs/dbraw/zinc/04/74/62/948047462.db2.gz BJKPDNFPOAMEEB-UHFFFAOYSA-N 1 0 375.477 1.868 20 0 GDADRO C[C@@H](C(=O)NC1CC2(C1)CC(Nc1cc[nH+]cc1-c1nn[nH]n1)C2)C1CCC1 ZINC001573665265 948070691 /nfs/dbraw/zinc/07/06/91/948070691.db2.gz JZAQLNSEEBGONV-KATYOOPDSA-N 1 0 381.484 1.959 20 0 GDADRO CC(=O)N(Cc1ccccn1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573414253 948093681 /nfs/dbraw/zinc/09/36/81/948093681.db2.gz JHQIDFOTBLQHML-UHFFFAOYSA-N 1 0 378.440 1.674 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnn(C)c1 ZINC001573672211 948109994 /nfs/dbraw/zinc/10/99/94/948109994.db2.gz IENFEVIORQDZRU-YPMHNXCESA-N 1 0 386.485 1.156 20 0 GDADRO Cn1cc(C[NH+]2CCC(C3OCCO3)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360278 948120199 /nfs/dbraw/zinc/12/01/99/948120199.db2.gz DRHAZDBUWATWPO-UHFFFAOYSA-N 1 0 395.467 1.852 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001573675431 948120491 /nfs/dbraw/zinc/12/04/91/948120491.db2.gz PZMMDMOYWIXBOT-DYVFJYSZSA-N 1 0 380.456 1.094 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573676731 948129125 /nfs/dbraw/zinc/12/91/25/948129125.db2.gz UWTHZHXQNJQQSW-BBRMVZONSA-N 1 0 380.456 1.094 20 0 GDADRO CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573433617 948204140 /nfs/dbraw/zinc/20/41/40/948204140.db2.gz MMKAAUBZOAMQFR-WBVHZDCISA-N 1 0 390.513 1.824 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)c1cnn(C)c1 ZINC001573692863 948273753 /nfs/dbraw/zinc/27/37/53/948273753.db2.gz STMZAQQFRAABBC-CYBMUJFWSA-N 1 0 380.456 1.142 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826435791 948288993 /nfs/dbraw/zinc/28/89/93/948288993.db2.gz XSNDBXDHYNYKRE-KBXCAEBGSA-N 1 0 397.483 1.434 20 0 GDADRO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573694262 948292106 /nfs/dbraw/zinc/29/21/06/948292106.db2.gz BYQIYFXGQWGBJS-BLVKFPJESA-N 1 0 388.447 1.105 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)C1CCCC1 ZINC001573696243 948320914 /nfs/dbraw/zinc/32/09/14/948320914.db2.gz MOVMKFIVUDIDSE-WNOSKKOXSA-N 1 0 381.484 1.886 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccn1 ZINC001573696663 948330482 /nfs/dbraw/zinc/33/04/82/948330482.db2.gz URQHQXNIFYCCGW-XDKFSHSGSA-N 1 0 392.467 1.118 20 0 GDADRO OCC[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000826509441 948427952 /nfs/dbraw/zinc/42/79/52/948427952.db2.gz VXOMEPJPSGPOOC-WMZOPIPTSA-N 1 0 375.473 1.527 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573707718 948436697 /nfs/dbraw/zinc/43/66/97/948436697.db2.gz QFTUOCKNXPFCAX-DOTOQJQBSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@@H](C(=O)NCCN(C)c1cccc(F)c1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573717474 948508874 /nfs/dbraw/zinc/50/88/74/948508874.db2.gz CVHUIPMLSPMFAM-AWEZNQCLSA-N 1 0 389.479 1.823 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573728907 948562747 /nfs/dbraw/zinc/56/27/47/948562747.db2.gz RHBZDBLQHOQNNK-KYJSFNMBSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573751990 948709148 /nfs/dbraw/zinc/70/91/48/948709148.db2.gz JMUDFFLJEKIUFV-ZSGPHXLJSA-N 1 0 392.467 1.546 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001573752664 948715360 /nfs/dbraw/zinc/71/53/60/948715360.db2.gz PPLMRSAWLGOVLM-CYHLAULCSA-N 1 0 388.447 1.558 20 0 GDADRO CC(F)(F)C1(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)CC1 ZINC001575223953 948774974 /nfs/dbraw/zinc/77/49/74/948774974.db2.gz QFMWEXUWKMZVBZ-UHFFFAOYSA-N 1 0 377.399 1.570 20 0 GDADRO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCNc1cncc(-c2nn[nH]n2)n1 ZINC001574679332 948778865 /nfs/dbraw/zinc/77/88/65/948778865.db2.gz SSJGQEHXJURFEY-UKRRQHHQSA-N 1 0 387.492 1.226 20 0 GDADRO C[C@H](CNC(=O)CCc1cn[nH]c1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574916691 948787794 /nfs/dbraw/zinc/78/77/94/948787794.db2.gz HOJZBBMBSYOULV-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO CC(C)c1cccc(C[N@H+](C)[C@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574419986 948794598 /nfs/dbraw/zinc/79/45/98/948794598.db2.gz NJTSKVMBVXGVTL-CYBMUJFWSA-N 1 0 382.472 1.964 20 0 GDADRO C[C@@H](CNC(=O)CCCn1ccnc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574918830 948859295 /nfs/dbraw/zinc/85/92/95/948859295.db2.gz RGTSBZJYHNNMEE-ZDUSSCGKSA-N 1 0 386.435 1.277 20 0 GDADRO CC(C)c1nc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cs1 ZINC001574424711 948860351 /nfs/dbraw/zinc/86/03/51/948860351.db2.gz RLRNIGVCRXXVLA-NSHDSACASA-N 1 0 384.469 1.590 20 0 GDADRO C[C@@H](CNC(=O)CCc1ncccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574920357 948898617 /nfs/dbraw/zinc/89/86/17/948898617.db2.gz JIUXOBWUJCCCQP-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)C1)[NH+]1CCCC1 ZINC001573765263 948902972 /nfs/dbraw/zinc/90/29/72/948902972.db2.gz XSSLPCNNGCMZOE-CYBMUJFWSA-N 1 0 388.451 1.288 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)C1CC1 ZINC001573773269 948976845 /nfs/dbraw/zinc/97/68/45/948976845.db2.gz IXWZVYPFALGDPC-KGLIPLIRSA-N 1 0 390.513 1.416 20 0 GDADRO C[C@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926158 948986972 /nfs/dbraw/zinc/98/69/72/948986972.db2.gz JNUFRQCHGCKWKZ-LLVKDONJSA-N 1 0 392.895 1.340 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC001573773719 948993479 /nfs/dbraw/zinc/99/34/79/948993479.db2.gz FPHJORNMIWAFSS-UHFFFAOYSA-N 1 0 377.452 1.722 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCC1 ZINC001573774065 949001268 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KBCISDZYMBLYAM-GFCCVEGCSA-N 1 0 381.440 1.475 20 0 GDADRO C[C@]1(C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)CCC2)CCOC1 ZINC001575575240 950046635 /nfs/dbraw/zinc/04/66/35/950046635.db2.gz GQFLMDBTEPCNPX-SFHVURJKSA-N 1 0 388.447 1.561 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnon1 ZINC001574151144 950061879 /nfs/dbraw/zinc/06/18/79/950061879.db2.gz LVIKWCQOTCAQNU-JTQLQIEISA-N 1 0 376.446 1.246 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574732807 950073894 /nfs/dbraw/zinc/07/38/94/950073894.db2.gz KXXDOVQFHPYQIA-VHSSKADRSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574732923 950087227 /nfs/dbraw/zinc/08/72/27/950087227.db2.gz MWKNZDALXFXGAP-XFJVYGCCSA-N 1 0 390.513 1.680 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151685 950092800 /nfs/dbraw/zinc/09/28/00/950092800.db2.gz XYGUXEALSQPETK-LSDHHAIUSA-N 1 0 389.504 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C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574734150 950126983 /nfs/dbraw/zinc/12/69/83/950126983.db2.gz KBIRDVGAZCPRNB-APHBMKBZSA-N 1 0 380.456 1.330 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574734106 950128976 /nfs/dbraw/zinc/12/89/76/950128976.db2.gz JCUFCIICTZPHBU-CYHLAULCSA-N 1 0 388.447 1.510 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cn1ccnc1 ZINC001574153259 950133764 /nfs/dbraw/zinc/13/37/64/950133764.db2.gz QMVQKUGODWQKRG-QGZVFWFLSA-N 1 0 382.472 1.384 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574734738 950139508 /nfs/dbraw/zinc/13/95/08/950139508.db2.gz PKDMRFBONGAEAL-WQFMGJDKSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cccnn2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576184713 950142054 /nfs/dbraw/zinc/14/20/54/950142054.db2.gz XDKMSKGDDWRDPG-KSSFIOAISA-N 1 0 392.467 1.687 20 0 GDADRO CC1(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CCC1 ZINC001575583769 950154530 /nfs/dbraw/zinc/15/45/30/950154530.db2.gz UKONYVOJVNPFKV-QGZVFWFLSA-N 1 0 376.486 1.171 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCCOc1ccccc1 ZINC001574738869 950179658 /nfs/dbraw/zinc/17/96/58/950179658.db2.gz ILVPKTQPDHLTGZ-CQSZACIVSA-N 1 0 383.456 1.714 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cccc(F)c1F ZINC001574739398 950191273 /nfs/dbraw/zinc/19/12/73/950191273.db2.gz PBAIOROPVLNEBE-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575585703 950200567 /nfs/dbraw/zinc/20/05/67/950200567.db2.gz BZKSDZYNAWUAHH-ORAYPTAESA-N 1 0 388.447 1.371 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ncccn2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576191664 950205331 /nfs/dbraw/zinc/20/53/31/950205331.db2.gz HRXGOPVFRLXBPS-PBHICJAKSA-N 1 0 392.467 1.545 20 0 GDADRO 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C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575587230 950232575 /nfs/dbraw/zinc/23/25/75/950232575.db2.gz MJJUQDGANJPYPX-DJJJIMSYSA-N 1 0 388.447 1.371 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574157526 950242217 /nfs/dbraw/zinc/24/22/17/950242217.db2.gz CGXYWBMOLSOZAU-LSDHHAIUSA-N 1 0 387.488 1.443 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1ncc[nH]1 ZINC001575902016 950248654 /nfs/dbraw/zinc/24/86/54/950248654.db2.gz RNAFQXQVBKGJIR-NHYWBVRUSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cnccn1 ZINC001575902068 950249576 /nfs/dbraw/zinc/24/95/76/950249576.db2.gz RXFXBXHSZQXWKV-NHYWBVRUSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575588793 950256951 /nfs/dbraw/zinc/25/69/51/950256951.db2.gz SPFROIWKKZNZJW-IFXJQAMLSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]CCc2ccccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575902652 950265774 /nfs/dbraw/zinc/26/57/74/950265774.db2.gz WHKKEPXXDSASFA-WBMJQRKESA-N 1 0 383.431 1.769 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001574984435 950273475 /nfs/dbraw/zinc/27/34/75/950273475.db2.gz ZPHGPCNZINGECC-BDJLRTHQSA-N 1 0 383.431 1.977 20 0 GDADRO CC1(C(=O)NCC[NH+]2CCC(Nc3ccc(-c4nn[nH]n4)nc3)CC2)CCC1 ZINC001575592048 950276893 /nfs/dbraw/zinc/27/68/93/950276893.db2.gz AOFRATWJOBECHW-UHFFFAOYSA-N 1 0 384.488 1.444 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(CO)cc2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575904668 950280872 /nfs/dbraw/zinc/28/08/72/950280872.db2.gz ABLKTAIKGDWEHK-LRDDRELGSA-N 1 0 381.440 1.080 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)cc2F)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575904769 950282159 /nfs/dbraw/zinc/28/21/59/950282159.db2.gz APABQOVBHMKJIM-YGRLFVJLSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cnco2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576193128 950285563 /nfs/dbraw/zinc/28/55/63/950285563.db2.gz SBUOLFDQTGJSER-HIFRSBDPSA-N 1 0 381.440 1.743 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ncccc1F ZINC001575906345 950312573 /nfs/dbraw/zinc/31/25/73/950312573.db2.gz HQBPQUJVIDVRQF-MFKMUULPSA-N 1 0 387.444 1.855 20 0 GDADRO CC(C)C[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574159749 950318815 /nfs/dbraw/zinc/31/88/15/950318815.db2.gz IBNHOJNBFIGQGU-HOCLYGCPSA-N 1 0 388.520 1.791 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ccccc1O ZINC001575907417 950334432 /nfs/dbraw/zinc/33/44/32/950334432.db2.gz ONRACJVQYLZLIG-DYVFJYSZSA-N 1 0 378.436 1.965 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cnsn1 ZINC001575907540 950335368 /nfs/dbraw/zinc/33/53/68/950335368.db2.gz OVDZGIMRMPHDPL-NOZJJQNGSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cn(C)cn1 ZINC001575907422 950335409 /nfs/dbraw/zinc/33/54/09/950335409.db2.gz ONTSTMMWPLULDP-NHYWBVRUSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1ccnc1 ZINC001574501481 950338322 /nfs/dbraw/zinc/33/83/22/950338322.db2.gz DRMXZHBVCXHTAW-PBHICJAKSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCN(c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576194489 950347394 /nfs/dbraw/zinc/34/73/94/950347394.db2.gz ZILRZCPWOVVIFY-ZIAGYGMSSA-N 1 0 387.463 1.385 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001576196204 950352429 /nfs/dbraw/zinc/35/24/29/950352429.db2.gz ANRFXBSFEZBRNC-GDBMZVCRSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)C1CC(F)(F)C1 ZINC001575908552 950367116 /nfs/dbraw/zinc/36/71/16/950367116.db2.gz VBBUJHCKFSIHBK-ABAIWWIYSA-N 1 0 376.411 1.991 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cnns1 ZINC001575908540 950368058 /nfs/dbraw/zinc/36/80/58/950368058.db2.gz UXGLFKJRKOWDLF-PSASIEDQSA-N 1 0 376.471 1.173 20 0 GDADRO CC1(C(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC(F)(F)C1 ZINC001575597087 950400373 /nfs/dbraw/zinc/40/03/73/950400373.db2.gz XNYAQUKTOUERHW-UHFFFAOYSA-N 1 0 376.411 1.850 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(C2CC2)no1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574747075 950402019 /nfs/dbraw/zinc/40/20/19/950402019.db2.gz QPGRNKQXGVEHKJ-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001574747106 950405137 /nfs/dbraw/zinc/40/51/37/950405137.db2.gz QXELBGYRNUEXFD-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576199183 950418006 /nfs/dbraw/zinc/41/80/06/950418006.db2.gz XCEDOSBNXWVZMB-UONOGXRCSA-N 1 0 387.463 1.385 20 0 GDADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNc2cc(-c3nn[nH]n3)ncn2)CC1 ZINC001573860353 950421508 /nfs/dbraw/zinc/42/15/08/950421508.db2.gz HDHXZSHYNDSJGP-UHFFFAOYSA-N 1 0 389.464 1.058 20 0 GDADRO CC(C)CC1(C(=O)N(C)C[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001574163345 950422760 /nfs/dbraw/zinc/42/27/60/950422760.db2.gz SBLHCAQJWBPQIN-CQSZACIVSA-N 1 0 387.488 1.131 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001574992099 950431229 /nfs/dbraw/zinc/43/12/29/950431229.db2.gz XABYLRZHLIALJP-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575912219 950461848 /nfs/dbraw/zinc/46/18/48/950461848.db2.gz QPZQOCDMRHRPML-WFASDCNBSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cccnc1 ZINC001575912247 950464018 /nfs/dbraw/zinc/46/40/18/950464018.db2.gz RCWJFVGDSQTUHK-RDTXWAMCSA-N 1 0 377.452 1.583 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@@H](Nc2ncccc2-c2nn[nH]n2)C2CC2)CC1 ZINC001576204749 950472915 /nfs/dbraw/zinc/47/29/15/950472915.db2.gz BQMIQIVXJXGGMR-MRXNPFEDSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cncc(F)c1 ZINC001575912988 950474311 /nfs/dbraw/zinc/47/43/11/950474311.db2.gz SKEVERIZPNWQPR-YVEFUNNKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(-c2ccccc2)no1 ZINC001574994494 950484710 /nfs/dbraw/zinc/48/47/10/950484710.db2.gz SBLDXFDRJNFWML-GFCCVEGCSA-N 1 0 392.423 1.758 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc2cnccc2c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574752724 950494094 /nfs/dbraw/zinc/49/40/94/950494094.db2.gz FKIGBVKIIGOPGJ-CYBMUJFWSA-N 1 0 388.435 1.804 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cnc(Cl)s2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575914630 950500211 /nfs/dbraw/zinc/50/02/11/950500211.db2.gz VGIVWUUJWMOIMN-LDYMZIIASA-N 1 0 392.876 1.698 20 0 GDADRO C[C@@H](CC(=O)NCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001574509732 950527812 /nfs/dbraw/zinc/52/78/12/950527812.db2.gz WMKXRYMUACLSST-AWEZNQCLSA-N 1 0 382.472 1.342 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001574996432 950531983 /nfs/dbraw/zinc/53/19/83/950531983.db2.gz NKMTZJZPZFDKLY-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753838 950543657 /nfs/dbraw/zinc/54/36/57/950543657.db2.gz UFCBUHBIVRUCLR-JTQLQIEISA-N 1 0 388.382 1.589 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206632 950576729 /nfs/dbraw/zinc/57/67/29/950576729.db2.gz YLONIRSNWWTGCU-UONOGXRCSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574999795 950591121 /nfs/dbraw/zinc/59/11/21/950591121.db2.gz NWIKYBUWTXSIGT-JTQLQIEISA-N 1 0 391.838 1.906 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001573870843 950599697 /nfs/dbraw/zinc/59/96/97/950599697.db2.gz XXSYGMFAQKSXIH-CYBMUJFWSA-N 1 0 378.502 1.728 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573870593 950599946 /nfs/dbraw/zinc/59/99/46/950599946.db2.gz JRIOUAHDNKPMEZ-INIZCTEOSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573871329 950612967 /nfs/dbraw/zinc/61/29/67/950612967.db2.gz NZJRZVZRUSMJJD-LBPRGKRZSA-N 1 0 378.502 1.681 20 0 GDADRO CC1(C)C(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1(C)C ZINC001575619238 950617477 /nfs/dbraw/zinc/61/74/77/950617477.db2.gz NKKLTWZKPGXYRW-CYBMUJFWSA-N 1 0 390.463 1.255 20 0 GDADRO CC(C)CCC(=O)NC1(CO)CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001574174469 950634858 /nfs/dbraw/zinc/63/48/58/950634858.db2.gz IQVDOGVWDGKSPA-UHFFFAOYSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccn1 ZINC001574518721 950660429 /nfs/dbraw/zinc/66/04/29/950660429.db2.gz QGZXXUZDHGYRNB-CKNFYHOISA-N 1 0 392.467 1.261 20 0 GDADRO CC1(C)CC(C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001575624681 950671520 /nfs/dbraw/zinc/67/15/20/950671520.db2.gz LVPOPWYGKKUHQC-MRXNPFEDSA-N 1 0 384.484 1.620 20 0 GDADRO CC1(C)CC(C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@@]3(C)C2)C1 ZINC001575625843 950695732 /nfs/dbraw/zinc/69/57/32/950695732.db2.gz YFUDBRMOFAOBBF-VLIAUNLRSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cncc2[nH]ccc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574763582 950722012 /nfs/dbraw/zinc/72/20/12/950722012.db2.gz FKNVLMPEXDZBQI-NSHDSACASA-N 1 0 377.412 1.133 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1ccc(-c2nn[nH]n2)nc1 ZINC001576216596 950735465 /nfs/dbraw/zinc/73/54/65/950735465.db2.gz DUJHHFMTJYFYMD-XJKSGUPXSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575927330 950740079 /nfs/dbraw/zinc/74/00/79/950740079.db2.gz PDMTZYLBGWQZCJ-PSASIEDQSA-N 1 0 390.354 1.324 20 0 GDADRO CC1(C)CC(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001575629940 950751224 /nfs/dbraw/zinc/75/12/24/950751224.db2.gz VLMOSEJDWDYFOE-SJORKVTESA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnn2ncccc12)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574764664 950757766 /nfs/dbraw/zinc/75/77/66/950757766.db2.gz VUJPIXDQEXISAA-CYBMUJFWSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCn1ccnc1 ZINC001574520963 950760122 /nfs/dbraw/zinc/76/01/22/950760122.db2.gz BRFYSXCUWMFEOW-LSDHHAIUSA-N 1 0 382.472 1.526 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575928118 950774043 /nfs/dbraw/zinc/77/40/43/950774043.db2.gz YWTXFNZKNDZSCE-IAQYHMDHSA-N 1 0 391.439 1.066 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cn1ccnc1 ZINC001574522853 950801042 /nfs/dbraw/zinc/80/10/42/950801042.db2.gz LJSCIBDIMSDRDI-STQMWFEESA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCn1cccn1 ZINC001574522839 950801661 /nfs/dbraw/zinc/80/16/61/950801661.db2.gz LHUMQAHXYLVNKM-LSDHHAIUSA-N 1 0 382.472 1.526 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cn1ccnc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574522849 950802666 /nfs/dbraw/zinc/80/26/66/950802666.db2.gz LJSCIBDIMSDRDI-OLZOCXBDSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cn1ccnc1 ZINC001574522851 950804979 /nfs/dbraw/zinc/80/49/79/950804979.db2.gz LJSCIBDIMSDRDI-QWHCGFSZSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CC(C)(C)O ZINC001574523485 950818709 /nfs/dbraw/zinc/81/87/09/950818709.db2.gz OBSZKYRLIIOJIC-VXGBXAGGSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1nnc[nH]1 ZINC001574523668 950823344 /nfs/dbraw/zinc/82/33/44/950823344.db2.gz OYIPIXBFMVNVEA-GHMZBOCLSA-N 1 0 389.489 1.052 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574523904 950838941 /nfs/dbraw/zinc/83/89/41/950838941.db2.gz SBQGRGMXJIHAOT-KWEIWBAHSA-N 1 0 388.447 1.271 20 0 GDADRO C[C@H](CN(C)C(=O)c1csc(Cl)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574767559 950859225 /nfs/dbraw/zinc/85/92/25/950859225.db2.gz RAPOCXHJICVJBJ-MRVPVSSYSA-N 1 0 378.849 1.366 20 0 GDADRO C[C@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)C[NH+]1CCCC1 ZINC001575935047 950871578 /nfs/dbraw/zinc/87/15/78/950871578.db2.gz URAUUDSNCWDYGU-SMDDNHRTSA-N 1 0 390.879 1.412 20 0 GDADRO C[C@@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)C[NH+]1CCCC1 ZINC001575935041 950874253 /nfs/dbraw/zinc/87/42/53/950874253.db2.gz URAUUDSNCWDYGU-BXUZGUMPSA-N 1 0 390.879 1.412 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CCOc1ccc(F)cc1 ZINC001575012084 950877289 /nfs/dbraw/zinc/87/72/89/950877289.db2.gz WBQVSNPEJYHORO-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@H](CN(C)C(=O)c1n[nH]cc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574768045 950878293 /nfs/dbraw/zinc/87/82/93/950878293.db2.gz XDEBYDDEGKZPNV-SECBINFHSA-N 1 0 376.371 1.118 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ncccc1O ZINC001574527494 950889679 /nfs/dbraw/zinc/88/96/79/950889679.db2.gz CMYQEOIDBCDJMY-QWHCGFSZSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576227239 950905628 /nfs/dbraw/zinc/90/56/28/950905628.db2.gz FGULMWHRWZGSKP-PXAZEXFGSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccnnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574527952 950915898 /nfs/dbraw/zinc/91/58/98/950915898.db2.gz IWGYDERKHVVFEV-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO CC(C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001574190615 950917352 /nfs/dbraw/zinc/91/73/52/950917352.db2.gz ZGZGFEDRVXNWKJ-LSDHHAIUSA-N 1 0 392.529 1.806 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cncnc1 ZINC001574528094 950924832 /nfs/dbraw/zinc/92/48/32/950924832.db2.gz KYNXFFAZAQMIGK-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]CCn1cc(Cl)cn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574528582 950938743 /nfs/dbraw/zinc/93/87/43/950938743.db2.gz NNPKEHVYZIBLRV-WDEREUQCSA-N 1 0 391.867 1.231 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccnnc1 ZINC001574528736 950939990 /nfs/dbraw/zinc/93/99/90/950939990.db2.gz OHVSKBUMORGZTC-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnn(C)c1 ZINC001574529374 950950015 /nfs/dbraw/zinc/95/00/15/950950015.db2.gz QLBPPBBSEWONRS-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cccnn1 ZINC001574529399 950950699 /nfs/dbraw/zinc/95/06/99/950950699.db2.gz QPDFICCJZHFKRW-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO CC(C)n1ncnc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529609 950954461 /nfs/dbraw/zinc/95/44/61/950954461.db2.gz RGPWRUILEFOKDR-VXGBXAGGSA-N 1 0 386.464 1.054 20 0 GDADRO CC(C)n1ncnc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529606 950955435 /nfs/dbraw/zinc/95/54/35/950955435.db2.gz RGPWRUILEFOKDR-RYUDHWBXSA-N 1 0 386.464 1.054 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001575643321 950966946 /nfs/dbraw/zinc/96/69/46/950966946.db2.gz LJSDMEAVEZCQDB-CYBMUJFWSA-N 1 0 390.513 1.417 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001575937969 950967699 /nfs/dbraw/zinc/96/76/99/950967699.db2.gz IAKQKXYVFJWYSN-YJBOKZPZSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)cc(F)c1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574772448 950968933 /nfs/dbraw/zinc/96/89/33/950968933.db2.gz SSPUZYVSITXUOG-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cncn1C ZINC001574530474 950982610 /nfs/dbraw/zinc/98/26/10/950982610.db2.gz UUJVLHSAIGGJBF-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnns1 ZINC001574530514 950983739 /nfs/dbraw/zinc/98/37/39/950983739.db2.gz VDSYUCGUSKGDQT-UWVGGRQHSA-N 1 0 390.448 1.544 20 0 GDADRO CC(C)c1ccc(C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)c(=O)[nH]1 ZINC001575017403 950991249 /nfs/dbraw/zinc/99/12/49/950991249.db2.gz FEHRHGXKHCECLP-LLVKDONJSA-N 1 0 382.428 1.138 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnn(C)c1 ZINC001574530739 950996558 /nfs/dbraw/zinc/99/65/58/950996558.db2.gz WMBOGKJIUZRWAW-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)CCC[N@@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574195578 950996802 /nfs/dbraw/zinc/99/68/02/950996802.db2.gz SWKODGIUAFKTHI-SFHVURJKSA-N 1 0 375.477 1.188 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CO1 ZINC001575939121 951005307 /nfs/dbraw/zinc/00/53/07/951005307.db2.gz PAYKTEXRBJZNKH-RHSMWYFYSA-N 1 0 384.484 1.715 20 0 GDADRO C[C@H](CNC(=O)c1ccc(=O)[nH]c1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575018149 951014751 /nfs/dbraw/zinc/01/47/51/951014751.db2.gz LNJRQUKIRDQMNN-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(Cl)ccc1F ZINC001575018998 951026885 /nfs/dbraw/zinc/02/68/85/951026885.db2.gz SESWBEDYTYXDRQ-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@H](CNC(=O)c1ccc(N(C)C)cc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575024724 951112245 /nfs/dbraw/zinc/11/22/45/951112245.db2.gz LLZCXBZXCMAHOK-CQSZACIVSA-N 1 0 379.468 1.841 20 0 GDADRO C[C@H](CNC(=O)c1cccc2cccnc21)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575027661 951163364 /nfs/dbraw/zinc/16/33/64/951163364.db2.gz HTQRZDCNEJUPOI-ZDUSSCGKSA-N 1 0 388.435 1.710 20 0 GDADRO C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575039146 951328770 /nfs/dbraw/zinc/32/87/70/951328770.db2.gz NZWKQKRFQYGUTL-GFCCVEGCSA-N 1 0 383.460 1.121 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001575039699 951334510 /nfs/dbraw/zinc/33/45/10/951334510.db2.gz RYVMHSFTMUXOAD-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1cn2ccccc2n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044665 951417733 /nfs/dbraw/zinc/41/77/33/951417733.db2.gz UTDCRCLXWPOGQM-LBPRGKRZSA-N 1 0 377.412 1.164 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)o1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575044924 951421142 /nfs/dbraw/zinc/42/11/42/951421142.db2.gz XOXVQUABWNWAMV-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(F)F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575051894 951455134 /nfs/dbraw/zinc/45/51/34/951455134.db2.gz AILWHKMYQFKUCU-MRVPVSSYSA-N 1 0 382.400 1.428 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1Cl)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575052156 951459566 /nfs/dbraw/zinc/45/95/66/951459566.db2.gz FCEXJOWOXBWTJJ-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2-c2nn[nH]n2)cn1 ZINC001575052367 951460838 /nfs/dbraw/zinc/46/08/38/951460838.db2.gz HMGOIUMTHDWDMN-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575052551 951468917 /nfs/dbraw/zinc/46/89/17/951468917.db2.gz LLPOQDXSWACDLM-JTQLQIEISA-N 1 0 390.398 1.446 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575054539 951491795 /nfs/dbraw/zinc/49/17/95/951491795.db2.gz XYYQKISCESFPBT-GFCCVEGCSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575055302 951500887 /nfs/dbraw/zinc/50/08/87/951500887.db2.gz PYKFGKDHQCKCDO-ZDUSSCGKSA-N 1 0 380.456 1.381 20 0 GDADRO C[C@@H](CNC(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575056609 951520091 /nfs/dbraw/zinc/52/00/91/951520091.db2.gz JPGJZVCWPLABSQ-QMMMGPOBSA-N 1 0 377.405 1.076 20 0 GDADRO C[C@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056655 951523437 /nfs/dbraw/zinc/52/34/37/951523437.db2.gz KODIBGYZKOARLY-LLVKDONJSA-N 1 0 382.428 1.772 20 0 GDADRO C[C@H](CNC(=O)c1cscn1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575060677 951544743 /nfs/dbraw/zinc/54/47/43/951544743.db2.gz CQVQYINLZKKTHT-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1csc(Cl)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575062151 951565643 /nfs/dbraw/zinc/56/56/43/951565643.db2.gz USVQMENRHOGRPT-SSDOTTSWSA-N 1 0 383.890 1.946 20 0 GDADRO C[C@H](CNC(=O)c1ncc(F)cc1F)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575062145 951566698 /nfs/dbraw/zinc/56/66/98/951566698.db2.gz UPHGZVFZHGPBFB-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1csc2cncn21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575062413 951569559 /nfs/dbraw/zinc/56/95/59/951569559.db2.gz VVQJBBDEMFUHPB-LLVKDONJSA-N 1 0 382.453 1.484 20 0 GDADRO C[C@@H](CNC(=O)c1ncc2n1CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575067865 951625284 /nfs/dbraw/zinc/62/52/84/951625284.db2.gz PZFLEELLOFJCKX-ZDUSSCGKSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C1CC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575069853 951647498 /nfs/dbraw/zinc/64/74/98/951647498.db2.gz MDQLKFROWJEOGJ-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1onc2c1CCCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575070226 951649665 /nfs/dbraw/zinc/64/96/65/951649665.db2.gz PNAXBFOTEWMCON-NSHDSACASA-N 1 0 382.428 1.028 20 0 GDADRO C[C@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)c1ccon1)C1CC1 ZINC001575076984 951659111 /nfs/dbraw/zinc/65/91/11/951659111.db2.gz AAOJRJNCUUYZLP-GOSISDBHSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001575077237 951663886 /nfs/dbraw/zinc/66/38/86/951663886.db2.gz AZMSPJZGJTXGOZ-NSHDSACASA-N 1 0 386.460 1.636 20 0 GDADRO C[C@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077245 951664111 /nfs/dbraw/zinc/66/41/11/951664111.db2.gz BAYIPICPXYSGDR-ZDUSSCGKSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cc1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077313 951665891 /nfs/dbraw/zinc/66/58/91/951665891.db2.gz FOVBPCYCRINBEO-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077366 951667883 /nfs/dbraw/zinc/66/78/83/951667883.db2.gz GFTZILMUZAKGRC-CHWSQXEVSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077448 951669421 /nfs/dbraw/zinc/66/94/21/951669421.db2.gz DESYBTXHRAYAMH-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCCCO1 ZINC001575077483 951669541 /nfs/dbraw/zinc/66/95/41/951669541.db2.gz FHAJSJBOGOTNDG-LRDDRELGSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@@H](O)c1ccccc1F ZINC001575077525 951671688 /nfs/dbraw/zinc/67/16/88/951671688.db2.gz GPLBPSGREHHMGD-MEDUHNTESA-N 1 0 387.419 1.023 20 0 GDADRO 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ZINC001571169502 952775116 /nfs/dbraw/zinc/77/51/16/952775116.db2.gz FCBODSNAZMSKOJ-AWEZNQCLSA-N 1 0 380.456 1.530 20 0 GDADRO Cc1cc[nH]c1C(=O)N[C@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001571169669 952777045 /nfs/dbraw/zinc/77/70/45/952777045.db2.gz KFQQMEBVVXGWQA-HNNXBMFYSA-N 1 0 380.456 1.851 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@H]2C)[nH]n1 ZINC001571169704 952777158 /nfs/dbraw/zinc/77/71/58/952777158.db2.gz KUSJQZKVRTVURF-UKRRQHHQSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1nc(C)c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)[nH]1 ZINC001571169740 952778152 /nfs/dbraw/zinc/77/81/52/952778152.db2.gz LMUYGOXZGFXZPW-MRXNPFEDSA-N 1 0 380.456 1.601 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169782 952778367 /nfs/dbraw/zinc/77/83/67/952778367.db2.gz NDLLXGFZPOEDJC-SWLSCSKDSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1[nH]nc(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1C ZINC001571170047 952782741 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YCTKXKKRWPQVHO-HOTGVXAUSA-N 1 0 380.456 1.289 20 0 GDADRO CS[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](C)C1 ZINC001571172872 952810218 /nfs/dbraw/zinc/81/02/18/952810218.db2.gz ZXVBOIAICSJNJK-IJLUTSLNSA-N 1 0 380.543 1.864 20 0 GDADRO C[C@@]1(NC(=O)c2cncc(F)c2)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571178301 952838532 /nfs/dbraw/zinc/83/85/32/952838532.db2.gz FPDPILREHIYUHL-LJQANCHMSA-N 1 0 381.415 1.795 20 0 GDADRO Cc1nc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571179620 952854261 /nfs/dbraw/zinc/85/42/61/952854261.db2.gz HLCSNWLUUCQWCE-GDBMZVCRSA-N 1 0 381.440 1.851 20 0 GDADRO O=C(Cc1ccoc1)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571179977 952857857 /nfs/dbraw/zinc/85/78/57/952857857.db2.gz LKOBWOMJTDMCNT-CTYIDZIISA-N 1 0 381.440 1.606 20 0 GDADRO Cc1cc(N2C[C@@H](NC(=O)Cc3ccco3)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180189 952859099 /nfs/dbraw/zinc/85/90/99/952859099.db2.gz MJSCNZKTNIUPFN-KBPBESRZSA-N 1 0 381.440 1.879 20 0 GDADRO Cc1noc(C)c1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571180986 952861329 /nfs/dbraw/zinc/86/13/29/952861329.db2.gz SKHHBTCITNIXLB-INIZCTEOSA-N 1 0 381.440 1.866 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4F)C[C@H]32)c1 ZINC001571182781 952868891 /nfs/dbraw/zinc/86/88/91/952868891.db2.gz FQOLWXNMEAMOIV-QLPKVWCKSA-N 1 0 381.415 1.205 20 0 GDADRO CCc1ncoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571182798 952868956 /nfs/dbraw/zinc/86/89/56/952868956.db2.gz GBPWTSZEBOAIEC-CTYIDZIISA-N 1 0 381.440 1.715 20 0 GDADRO CCc1cc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)no1 ZINC001571183242 952875445 /nfs/dbraw/zinc/87/54/45/952875445.db2.gz UETOWBVIDUWYKR-IUODEOHRSA-N 1 0 381.440 1.810 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571183724 952881975 /nfs/dbraw/zinc/88/19/75/952881975.db2.gz IDKQJAOGODAHRV-LRDDRELGSA-N 1 0 381.444 1.015 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)n3cccn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571187619 952909498 /nfs/dbraw/zinc/90/94/98/952909498.db2.gz AAJAOGDNJRKMIT-KBPBESRZSA-N 1 0 381.444 1.113 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)c3cn(C(C)C)cn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188602 952916763 /nfs/dbraw/zinc/91/67/63/952916763.db2.gz LPYASOAQNXZOLF-CYBMUJFWSA-N 1 0 381.444 1.356 20 0 GDADRO Cc1cc(N2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(C)C)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189984 952938696 /nfs/dbraw/zinc/93/86/96/952938696.db2.gz BRKLRGCXYHFYCJ-FZKCQIBNSA-N 1 0 381.484 1.757 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cncnc1 ZINC001571195623 952978149 /nfs/dbraw/zinc/97/81/49/952978149.db2.gz DBGDPIUASRDJDC-BZNIZROVSA-N 1 0 382.403 1.189 20 0 GDADRO CCc1cc(C(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)no1 ZINC001571199213 952997683 /nfs/dbraw/zinc/99/76/83/952997683.db2.gz NKUUQGVMJPAGDI-HNNXBMFYSA-N 1 0 382.428 1.197 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccco3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC001571199775 953004157 /nfs/dbraw/zinc/00/41/57/953004157.db2.gz BREWSHBDVOIBJC-IUODEOHRSA-N 1 0 382.424 1.719 20 0 GDADRO Cc1conc1C(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571200189 953007433 /nfs/dbraw/zinc/00/74/33/953007433.db2.gz BOTUFLYWYBZRAW-SFHVURJKSA-N 1 0 382.428 1.253 20 0 GDADRO Cc1conc1C(=O)NC1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571200200 953007445 /nfs/dbraw/zinc/00/74/45/953007445.db2.gz BUIWBLCLCUQCFH-UHFFFAOYSA-N 1 0 382.428 1.655 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)no1 ZINC001571201017 953013673 /nfs/dbraw/zinc/01/36/73/953013673.db2.gz IDDQIRQRXCBFMC-JSGCOSHPSA-N 1 0 382.428 1.299 20 0 GDADRO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571201091 953015125 /nfs/dbraw/zinc/01/51/25/953015125.db2.gz JQVITKFTBSKNIG-HOTGVXAUSA-N 1 0 382.428 1.370 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)[C@@H](C)C2)no1 ZINC001571201354 953017505 /nfs/dbraw/zinc/01/75/05/953017505.db2.gz KOOYVRXFUYBVFX-WCQYABFASA-N 1 0 382.428 1.190 20 0 GDADRO CC(C)c1nocc1C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571201543 953018792 /nfs/dbraw/zinc/01/87/92/953018792.db2.gz RHIJKQMDNQGEKY-UHFFFAOYSA-N 1 0 382.428 1.512 20 0 GDADRO O=C(c1ccnnc1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571202051 953021915 /nfs/dbraw/zinc/02/19/15/953021915.db2.gz UUSWYDWYTRYBOJ-OAHLLOKOSA-N 1 0 382.403 1.190 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC001571209939 953069501 /nfs/dbraw/zinc/06/95/01/953069501.db2.gz JNLCUEKAIWJJFX-MRXNPFEDSA-N 1 0 382.468 1.841 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1-c1nn[nH]n1 ZINC001571210557 953072232 /nfs/dbraw/zinc/07/22/32/953072232.db2.gz SEOPFSTWPBAFFU-BSXFFOKHSA-N 1 0 382.468 1.612 20 0 GDADRO O=C(N[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2)[C@@H]1CCOC1 ZINC001571210836 953075037 /nfs/dbraw/zinc/07/50/37/953075037.db2.gz XXQAPWKNGGGGBE-SJORKVTESA-N 1 0 382.468 1.374 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210850 953075610 /nfs/dbraw/zinc/07/56/10/953075610.db2.gz YMBHEILPRFFQGB-KSZLIROESA-N 1 0 382.468 1.611 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001571217842 953111151 /nfs/dbraw/zinc/11/11/51/953111151.db2.gz QBMINDMZZAWHDF-QWRGUYRKSA-N 1 0 383.378 1.533 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC001571218774 953119046 /nfs/dbraw/zinc/11/90/46/953119046.db2.gz DKWOAKVSMQWXGJ-CQSZACIVSA-N 1 0 383.412 1.176 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3conc3C)C2)cc1-c1nn[nH]n1 ZINC001571218901 953120757 /nfs/dbraw/zinc/12/07/57/953120757.db2.gz GLEQELCQVPUCGJ-BETUJISGSA-N 1 0 383.412 1.222 20 0 GDADRO COc1nc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571220168 953129387 /nfs/dbraw/zinc/12/93/87/953129387.db2.gz YAXKTWHLOPOTKI-SFHVURJKSA-N 1 0 383.412 1.258 20 0 GDADRO COCc1nocc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571220230 953129454 /nfs/dbraw/zinc/12/94/54/953129454.db2.gz ZKGYXMXLVDMETC-HDJSIYSDSA-N 1 0 383.412 1.052 20 0 GDADRO Cc1[nH]ccc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571230056 953173945 /nfs/dbraw/zinc/17/39/45/953173945.db2.gz ROZKQKGDKLKJPV-NNUKFRKNSA-N 1 0 383.431 1.941 20 0 GDADRO Cc1cc[nH]c1C(=O)NCC1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571230622 953178709 /nfs/dbraw/zinc/17/87/09/953178709.db2.gz YWEHLQNWKVRUCF-UHFFFAOYSA-N 1 0 383.431 1.941 20 0 GDADRO C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571233906 953197078 /nfs/dbraw/zinc/19/70/78/953197078.db2.gz HOPXFMDDCGKTMY-TZMCWYRMSA-N 1 0 383.481 1.821 20 0 GDADRO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H](C)C2)nn1C ZINC001571234108 953198786 /nfs/dbraw/zinc/19/87/86/953198786.db2.gz NFRWBGWLXUFLBZ-CHWSQXEVSA-N 1 0 383.460 1.020 20 0 GDADRO Cc1cc(N2CCN(C(=O)CCc3cccs3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571234356 953201618 /nfs/dbraw/zinc/20/16/18/953201618.db2.gz VDLAKNDUOBTQOB-UHFFFAOYSA-N 1 0 383.481 1.913 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccns2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234495 953203103 /nfs/dbraw/zinc/20/31/03/953203103.db2.gz ZWHXLILBNHYVHA-DOMZBBRYSA-N 1 0 383.481 1.964 20 0 GDADRO C[C@@H]1CN(C(=O)c2n[nH]cc2F)CC[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571238993 953234820 /nfs/dbraw/zinc/23/48/20/953234820.db2.gz DULXGKKGIVOMJW-ABAIWWIYSA-N 1 0 384.419 1.369 20 0 GDADRO CN(C(=O)Cc1ccco1)[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571238956 953234911 /nfs/dbraw/zinc/23/49/11/953234911.db2.gz DBSYKXROCOETMB-CQSZACIVSA-N 1 0 384.415 1.874 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)[nH]n1 ZINC001571239122 953236351 /nfs/dbraw/zinc/23/63/51/953236351.db2.gz GEIAWQDDBJXDOX-LBPRGKRZSA-N 1 0 384.419 1.289 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cc[nH]n1 ZINC001571239572 953240461 /nfs/dbraw/zinc/24/04/61/953240461.db2.gz MSKJWVZWAZNODX-DGCLKSJQSA-N 1 0 384.419 1.512 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1n[nH]cc1F ZINC001571239977 953244277 /nfs/dbraw/zinc/24/42/77/953244277.db2.gz WNHQOOYNCSOUDU-BXUZGUMPSA-N 1 0 384.419 1.512 20 0 GDADRO Cc1cc(N(C)[C@@H]2CCCN(C(=O)c3cc(F)c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571241789 953249368 /nfs/dbraw/zinc/24/93/68/953249368.db2.gz LPXCPJDHKBIVBO-CYBMUJFWSA-N 1 0 384.419 1.778 20 0 GDADRO O=C(N[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cn[nH]c1 ZINC001571241740 953250029 /nfs/dbraw/zinc/25/00/29/953250029.db2.gz KJABKEDCFONQTM-GJZGRUSLSA-N 1 0 384.419 1.560 20 0 GDADRO CCc1cnc(C[NH2+]C2(C)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571242610 953257636 /nfs/dbraw/zinc/25/76/36/953257636.db2.gz KDVSWDYAUWGCRC-UHFFFAOYSA-N 1 0 384.444 1.530 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571244674 953265939 /nfs/dbraw/zinc/26/59/39/953265939.db2.gz DKZPZXUBHWWJJG-RISCZKNCSA-N 1 0 384.469 1.216 20 0 GDADRO C[C@H](NC(=O)c1ccsn1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571244706 953266703 /nfs/dbraw/zinc/26/67/03/953266703.db2.gz FSFZNZWBXBIXLZ-NSHDSACASA-N 1 0 384.469 1.753 20 0 GDADRO C[C@H]1CN(C(=O)c2cnsn2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571244762 953266987 /nfs/dbraw/zinc/26/69/87/953266987.db2.gz HOVMFVLLFVTOMM-SMDDNHRTSA-N 1 0 384.469 1.359 20 0 GDADRO Cc1ncc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)[C@@H]2C)s1 ZINC001571244807 953267797 /nfs/dbraw/zinc/26/77/97/953267797.db2.gz JJMQMSSPCNXEBM-MFKMUULPSA-N 1 0 384.469 1.732 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(C(=O)c2cnsn2)C1 ZINC001571245540 953274533 /nfs/dbraw/zinc/27/45/33/953274533.db2.gz UYDQMBGNVXYZQU-AWEZNQCLSA-N 1 0 384.469 1.455 20 0 GDADRO CC(C)(O)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571247641 953284350 /nfs/dbraw/zinc/28/43/50/953284350.db2.gz BHQQRWQWKXFHPZ-SJORKVTESA-N 1 0 384.484 1.451 20 0 GDADRO CO[C@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571247985 953288121 /nfs/dbraw/zinc/28/81/21/953288121.db2.gz KJYIBBZIYOEPIW-ROUUACIJSA-N 1 0 384.484 1.762 20 0 GDADRO O=C(N[C@H]1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1csnn1 ZINC001571247942 953288321 /nfs/dbraw/zinc/28/83/21/953288321.db2.gz JBHJGHSEHQLLJP-KBPBESRZSA-N 1 0 384.469 1.549 20 0 GDADRO Cc1oncc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571248065 953288831 /nfs/dbraw/zinc/28/88/31/953288831.db2.gz DFYXAVBRUNFZJQ-BDJLRTHQSA-N 1 0 384.444 1.664 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571248606 953294907 /nfs/dbraw/zinc/29/49/07/953294907.db2.gz WJKWJWXOWJJEEF-FHLIZLRMSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@](O)(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001571248609 953295127 /nfs/dbraw/zinc/29/51/27/953295127.db2.gz WLWFLBKRXCIIPY-XLIONFOSSA-N 1 0 384.484 1.498 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)c(C)n2)C1 ZINC001571249405 953304563 /nfs/dbraw/zinc/30/45/63/953304563.db2.gz ILNLSDXSLCMEAC-GOEBONIOSA-N 1 0 384.488 1.457 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CN1c1ccc(-c2nn[nH]n2)nc1 ZINC001571249890 953306885 /nfs/dbraw/zinc/30/68/85/953306885.db2.gz MBWCXLGCGNCWGG-HIFRSBDPSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCCO1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571250021 953308059 /nfs/dbraw/zinc/30/80/59/953308059.db2.gz NIVDIJIUKRYSKI-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO O=C(C[C@H]1CCCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571250277 953310444 /nfs/dbraw/zinc/31/04/44/953310444.db2.gz PWVSDFKOUCCSND-SJLPKXTDSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(CC1CCCCC1)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001571251482 953317221 /nfs/dbraw/zinc/31/72/21/953317221.db2.gz YOTJQYREPLEKBF-QZTJIDSGSA-N 1 0 384.484 1.498 20 0 GDADRO Cc1nc(N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)ccc1-c1nn[nH]n1 ZINC001571251957 953321446 /nfs/dbraw/zinc/32/14/46/953321446.db2.gz CNFNFXBQRBQJQR-QEJZJMRPSA-N 1 0 384.488 1.313 20 0 GDADRO CN(C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC001571252393 953327257 /nfs/dbraw/zinc/32/72/57/953327257.db2.gz MAOVHJXZYSOCOJ-GDBMZVCRSA-N 1 0 384.488 1.031 20 0 GDADRO Cc1nc(N[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571252574 953330947 /nfs/dbraw/zinc/33/09/47/953330947.db2.gz QGLRVYCTRQWQKS-GJZGRUSLSA-N 1 0 384.488 1.457 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1cnco1 ZINC001571254423 953339201 /nfs/dbraw/zinc/33/92/01/953339201.db2.gz GKHBVLVLTVABLD-XHDPSFHLSA-N 1 0 385.403 1.682 20 0 GDADRO Cc1nc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)co1 ZINC001571254388 953339308 /nfs/dbraw/zinc/33/93/08/953339308.db2.gz GEWNZPGOOCJELG-CYBMUJFWSA-N 1 0 385.403 1.554 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)co1 ZINC001571254650 953341170 /nfs/dbraw/zinc/34/11/70/953341170.db2.gz HPONXSABOFGEEB-CYBMUJFWSA-N 1 0 385.403 1.649 20 0 GDADRO O=C(c1cocn1)N1CCC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001571255426 953348425 /nfs/dbraw/zinc/34/84/25/953348425.db2.gz PFNMZJMFKJDYQC-UHFFFAOYSA-N 1 0 385.403 1.636 20 0 GDADRO Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(Cl)c[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571255550 953350844 /nfs/dbraw/zinc/35/08/44/953350844.db2.gz OGECKRCHUSWBLW-RYUDHWBXSA-N 1 0 384.831 1.655 20 0 GDADRO CC(C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1C(F)(F)F ZINC001571255930 953359084 /nfs/dbraw/zinc/35/90/84/953359084.db2.gz WQXMPGIJSLXHIX-VXGBXAGGSA-N 1 0 385.394 1.833 20 0 GDADRO O=C([O-])C1CC[NH+](CCCNC(=O)[C@@H]2CCCCN2Cc2ccncc2)CC1 ZINC001354072147 962715430 /nfs/dbraw/zinc/71/54/30/962715430.db2.gz INUVCRCQYSZMJI-IBGZPJMESA-N 1 0 388.512 1.739 20 0 GDADRO C[NH+]1CCC(OCC(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001526712609 962880406 /nfs/dbraw/zinc/88/04/06/962880406.db2.gz YQNWWGCGVIENKX-NRFANRHFSA-N 1 0 389.496 1.333 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)Cc1ccccc1 ZINC000874387253 969373382 /nfs/dbraw/zinc/37/33/82/969373382.db2.gz QZYIZSOIJJJIIU-IBGZPJMESA-N 1 0 390.528 1.788 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC001594515365 985871192 /nfs/dbraw/zinc/87/11/92/985871192.db2.gz HLCWKDJGSRKLFM-FUHWJXTLSA-N 1 0 376.501 1.350 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC001594515989 985893555 /nfs/dbraw/zinc/89/35/55/985893555.db2.gz MIPGCAAHMDRJTC-RDJZCZTQSA-N 1 0 377.489 1.265 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](CCC(=O)[O-])C[C@H]1C ZINC001594542225 986180501 /nfs/dbraw/zinc/18/05/01/986180501.db2.gz GYXUFTSSCIHHHT-LMMKCTJWSA-N 1 0 388.512 1.697 20 0 GDADRO CC1(C)C[NH+](Cc2c(C[N@@H+]3C[C@H](O)C(C)(C)C3)cccc2C(=O)[O-])C[C@@H]1O ZINC001593942963 996977588 /nfs/dbraw/zinc/97/75/88/996977588.db2.gz XEXFXRCKJGAWOW-ROUUACIJSA-N 1 0 376.497 1.790 20 0 GDADRO COC(=O)[C@@H]1C[N@H+](C/C=C\C[NH+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@H]1C1CC1 ZINC001598898909 997136980 /nfs/dbraw/zinc/13/69/80/997136980.db2.gz PHPANOZLIHBXNI-ITMPZVBASA-N 1 0 376.497 1.716 20 0 GDADRO C[C@H]1CN(C(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)CC[N@@H+]1CCC(=O)[O-] ZINC001594466916 999691941 /nfs/dbraw/zinc/69/19/41/999691941.db2.gz ULEKUBPFYAFUNG-AZUAARDMSA-N 1 0 387.524 1.949 20 0 GDADRO CCOC(=O)c1cc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)[nH]n1 ZINC001462564978 1126197873 /nfs/dbraw/zinc/19/78/73/1126197873.db2.gz MEMBHTXGIUBKOH-IBGZPJMESA-N 1 0 377.441 1.687 20 0 GDADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccn1)C(F)(F)F ZINC001582808982 1126215339 /nfs/dbraw/zinc/21/53/39/1126215339.db2.gz OJMIAXLFSQHVTQ-LSDHHAIUSA-N 1 0 378.358 1.886 20 0 GDADRO 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Cc1cc(Cl)c(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)cc1Cl ZINC000162928627 530572185 /nfs/dbraw/zinc/57/21/85/530572185.db2.gz RHBXBMVGTOTKSP-UHFFFAOYSA-N 1 0 387.311 1.994 20 0 GDADRO C[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)[C@H]1CN(C)CCO1 ZINC000163030819 530573024 /nfs/dbraw/zinc/57/30/24/530573024.db2.gz JEUDINGDZABYAX-QPUJVOFHSA-N 1 0 399.257 1.725 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000163201752 530574344 /nfs/dbraw/zinc/57/43/44/530574344.db2.gz LDTIERYBJQTMTK-UHFFFAOYSA-N 1 0 384.274 1.950 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000164979120 530579862 /nfs/dbraw/zinc/57/98/62/530579862.db2.gz DYACNFNKKZOKJX-LBPRGKRZSA-N 1 0 383.290 1.877 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000165380011 530581043 /nfs/dbraw/zinc/58/10/43/530581043.db2.gz YSMGXNZJWSCMMP-VXGBXAGGSA-N 1 0 381.274 1.631 20 0 GDADRO CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2N)CCN1CCOC ZINC000166013553 530581529 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CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000176038608 530675818 /nfs/dbraw/zinc/67/58/18/530675818.db2.gz UONICJIMHWSLLY-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO [NH3+][C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000050241922 530675973 /nfs/dbraw/zinc/67/59/73/530675973.db2.gz YCRRJFFGVVNYPH-QMMMGPOBSA-N 1 0 384.093 1.933 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176089941 530676842 /nfs/dbraw/zinc/67/68/42/530676842.db2.gz GCQGVZDLWUECCV-UHFFFAOYSA-N 1 0 382.258 1.599 20 0 GDADRO O=C(CSc1nncs1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000052903084 530688604 /nfs/dbraw/zinc/68/86/04/530688604.db2.gz JEGQJROUZQMVAN-UHFFFAOYSA-N 1 0 377.539 1.564 20 0 GDADRO CSc1ccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)cc1Cl ZINC000176776273 530690976 /nfs/dbraw/zinc/69/09/76/530690976.db2.gz SXAZLZRKGDKGOM-UHFFFAOYSA-N 1 0 384.933 1.754 20 0 GDADRO CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000176811747 530691846 /nfs/dbraw/zinc/69/18/46/530691846.db2.gz KPRLOUJSWBEOMU-UHFFFAOYSA-N 1 0 381.523 1.860 20 0 GDADRO O=C(NCC1CC[NH+](CCO)CC1)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000176853977 530692082 /nfs/dbraw/zinc/69/20/82/530692082.db2.gz RCRAINISRITNPH-UHFFFAOYSA-N 1 0 375.803 1.377 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000176922177 530694061 /nfs/dbraw/zinc/69/40/61/530694061.db2.gz AVWUTSISNXQPAN-UHFFFAOYSA-N 1 0 381.329 1.693 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000177029493 530696240 /nfs/dbraw/zinc/69/62/40/530696240.db2.gz NYZXKUUCLDHZIH-NSHDSACASA-N 1 0 384.274 1.773 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C[N@@H+]1C1CC1 ZINC000177038874 530696330 /nfs/dbraw/zinc/69/63/30/530696330.db2.gz CGVZCGBCEAVKMM-OLZOCXBDSA-N 1 0 383.539 1.888 20 0 GDADRO O[C@]1(C(F)(F)F)CCN(CCOCC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000177279963 530700372 /nfs/dbraw/zinc/70/03/72/530700372.db2.gz PGSAJGDNPKSLGR-VXGBXAGGSA-N 1 0 380.329 1.001 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(S(N)(=O)=O)s1)c1cccs1 ZINC000054377044 530700801 /nfs/dbraw/zinc/70/08/01/530700801.db2.gz FQRMEJKEEUHUHK-NSHDSACASA-N 1 0 388.540 1.559 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)C1 ZINC000177513463 530704094 /nfs/dbraw/zinc/70/40/94/530704094.db2.gz GSYZPMNOABLTRK-JSGCOSHPSA-N 1 0 380.539 1.978 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000055404118 530708554 /nfs/dbraw/zinc/70/85/54/530708554.db2.gz NJTIBCBLSFHDKQ-UONOGXRCSA-N 1 0 387.571 1.690 20 0 GDADRO C[NH+](C)CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000055413957 530708645 /nfs/dbraw/zinc/70/86/45/530708645.db2.gz MJGLCQNDFNXSKC-LLVKDONJSA-N 1 0 379.935 1.623 20 0 GDADRO C[C@@H](CNC(=O)CN(C)C(=O)c1ccc(Br)o1)C[NH+]1CCCC1 ZINC000055541702 530709326 /nfs/dbraw/zinc/70/93/26/530709326.db2.gz YBFWRPADVQFRAR-LBPRGKRZSA-N 1 0 386.290 1.962 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C1CC1 ZINC000055719913 530711157 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C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000178617954 530723718 /nfs/dbraw/zinc/72/37/18/530723718.db2.gz MWTCZEQHZBCBRN-NSHDSACASA-N 1 0 382.262 1.706 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000178734336 530726829 /nfs/dbraw/zinc/72/68/29/530726829.db2.gz UORPDIGYCJFIHB-GJZGRUSLSA-N 1 0 398.301 1.635 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000178727803 530726882 /nfs/dbraw/zinc/72/68/82/530726882.db2.gz WBZXCMMWPCWHNU-CYBMUJFWSA-N 1 0 386.905 1.004 20 0 GDADRO NC(=O)c1csc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000178844255 530729180 /nfs/dbraw/zinc/72/91/80/530729180.db2.gz RGSQGBOTJDLNFB-UHFFFAOYSA-N 1 0 379.507 1.921 20 0 GDADRO C[C@H]([NH3+])CCNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000178910079 530730809 /nfs/dbraw/zinc/73/08/09/530730809.db2.gz GZHXELZITOUWJX-VIFPVBQESA-N 1 0 391.280 1.555 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000179012227 530733262 /nfs/dbraw/zinc/73/32/62/530733262.db2.gz JJSPUJZXQFGHNZ-NSHDSACASA-N 1 0 394.324 1.730 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2C)C1 ZINC000179810665 530750318 /nfs/dbraw/zinc/75/03/18/530750318.db2.gz NZVJACMVYBSDPL-LBPRGKRZSA-N 1 0 383.290 1.891 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccnc1Br ZINC000179860209 530751934 /nfs/dbraw/zinc/75/19/34/530751934.db2.gz MMUQCNOLZXIGOM-NSHDSACASA-N 1 0 387.278 1.256 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000066127326 530758426 /nfs/dbraw/zinc/75/84/26/530758426.db2.gz FQCSQBUXZPGOGU-CYBMUJFWSA-N 1 0 375.922 1.855 20 0 GDADRO C[C@@H]1C[NH+](C[C@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)C[C@@H](C)O1 ZINC000066482963 530762904 /nfs/dbraw/zinc/76/29/04/530762904.db2.gz OPHAVQLWAIUQIS-JMSVASOKSA-N 1 0 396.289 1.573 20 0 GDADRO CC(C)[C@H](CNC(=O)CNS(=O)(=O)c1cccs1)[NH+]1CCC(C)CC1 ZINC000063783932 530747770 /nfs/dbraw/zinc/74/77/70/530747770.db2.gz KOBPAERAFFHPED-HNNXBMFYSA-N 1 0 387.571 1.899 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000179722512 530748576 /nfs/dbraw/zinc/74/85/76/530748576.db2.gz KGNDURKAJKPSLM-UHFFFAOYSA-N 1 0 395.305 1.248 20 0 GDADRO C[N@H+](CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CC1 ZINC000066924059 530769829 /nfs/dbraw/zinc/76/98/29/530769829.db2.gz DDCRZJWAAAFMBB-UHFFFAOYSA-N 1 0 379.258 1.369 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc([S@@](C)=O)cc1 ZINC000180749190 530770962 /nfs/dbraw/zinc/77/09/62/530770962.db2.gz ZKZYDYNKBPIHDD-FMTLSIPGSA-N 1 0 388.555 1.563 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H](CO)c2cccc(Br)c2)CC1=O ZINC000181118757 530779023 /nfs/dbraw/zinc/77/90/23/530779023.db2.gz MZSIPPKECFIOFP-UKRRQHHQSA-N 1 0 398.301 1.009 20 0 GDADRO COc1cc(C[NH2+]CCCOCCO)cc(I)c1OC ZINC000181220906 530780230 /nfs/dbraw/zinc/78/02/30/530780230.db2.gz LXROHOYODBNTJX-UHFFFAOYSA-N 1 0 395.237 1.797 20 0 GDADRO Cn1cnc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1Cl ZINC000181473722 530784296 /nfs/dbraw/zinc/78/42/96/530784296.db2.gz 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CC[N@H+](CCO)CCNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000184338010 530827610 /nfs/dbraw/zinc/82/76/10/530827610.db2.gz ZNNIOFBXCBIFDG-UHFFFAOYSA-N 1 0 394.335 1.108 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1F ZINC000184858683 530832360 /nfs/dbraw/zinc/83/23/60/530832360.db2.gz LOBRYAHGXSWXBC-UHFFFAOYSA-N 1 0 395.294 1.713 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000103454038 530834970 /nfs/dbraw/zinc/83/49/70/530834970.db2.gz ZHXAOMIXHBBVPN-UHFFFAOYSA-N 1 0 393.962 1.822 20 0 GDADRO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000182959086 530807745 /nfs/dbraw/zinc/80/77/45/530807745.db2.gz IPRCAWRPXNSHBB-UHFFFAOYSA-N 1 0 375.485 1.752 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000183156505 530809787 /nfs/dbraw/zinc/80/97/87/530809787.db2.gz YCATZJCHPHDUEJ-CYBMUJFWSA-N 1 0 387.571 1.683 20 0 GDADRO C[NH+](C)CC1(CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CCCC1 ZINC000185099272 530836265 /nfs/dbraw/zinc/83/62/65/530836265.db2.gz MLJCINMDFOTJNB-UHFFFAOYSA-N 1 0 388.555 1.632 20 0 GDADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000183201704 530811339 /nfs/dbraw/zinc/81/13/39/530811339.db2.gz WFKYDVDNGQMECA-ULKQDVFKSA-N 1 0 398.959 1.709 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(=O)N1CCOCC1 ZINC000183364107 530813994 /nfs/dbraw/zinc/81/39/94/530813994.db2.gz FUDPOVBQZZTANW-LBPRGKRZSA-N 1 0 384.274 1.615 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2cc(Br)cnc12)C[NH+]1CCN(C)CC1 ZINC000094134873 530816913 /nfs/dbraw/zinc/81/69/13/530816913.db2.gz POZKNRBWRNSHPD-LBPRGKRZSA-N 1 0 395.305 1.105 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)s1 ZINC000185097421 530836456 /nfs/dbraw/zinc/83/64/56/530836456.db2.gz UCGJCTKHNHBVHI-UHFFFAOYSA-N 1 0 387.571 1.827 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 ZINC000097042440 530820283 /nfs/dbraw/zinc/82/02/83/530820283.db2.gz YWUNFWMHHSMSEL-NSHDSACASA-N 1 0 393.303 1.623 20 0 GDADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183918448 530822260 /nfs/dbraw/zinc/82/22/60/530822260.db2.gz YBZKHRPBVSIMKV-AWEZNQCLSA-N 1 0 396.285 1.937 20 0 GDADRO C[NH+]1CCC(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000101986989 530826729 /nfs/dbraw/zinc/82/67/29/530826729.db2.gz WSNKRTHGHHFJIL-UHFFFAOYSA-N 1 0 379.404 1.194 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000106185687 530846947 /nfs/dbraw/zinc/84/69/47/530846947.db2.gz ZICPACLBKWYKGT-UHFFFAOYSA-N 1 0 391.559 1.323 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000106364620 530847867 /nfs/dbraw/zinc/84/78/67/530847867.db2.gz NWFATCFQLYCLPM-GFCCVEGCSA-N 1 0 375.441 1.186 20 0 GDADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000185901714 530848133 /nfs/dbraw/zinc/84/81/33/530848133.db2.gz MOYIRBLFPRPYHX-SJLPKXTDSA-N 1 0 383.945 1.534 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cc(F)c(F)cc3F)C2)CC1 ZINC000106893734 530851061 /nfs/dbraw/zinc/85/10/61/530851061.db2.gz CIGMDCWUCIQPOY-GFCCVEGCSA-N 1 0 377.432 1.504 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000186310106 530855220 /nfs/dbraw/zinc/85/52/20/530855220.db2.gz PFHNBUBMTLETNJ-ZDUSSCGKSA-N 1 0 378.270 1.838 20 0 GDADRO O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NCC1=CC[NH2+]CC1 ZINC000186364691 530855968 /nfs/dbraw/zinc/85/59/68/530855968.db2.gz VXSWFWKNSMAYJZ-UHFFFAOYSA-N 1 0 387.299 1.400 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000186747172 530861582 /nfs/dbraw/zinc/86/15/82/530861582.db2.gz VOLSGYUHCUETOC-GXFFZTMASA-N 1 0 394.324 1.776 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000186793267 530862709 /nfs/dbraw/zinc/86/27/09/530862709.db2.gz PGQQVBUVXSCJIA-RNCFNFMXSA-N 1 0 375.288 1.580 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NCc2csc(CS(C)(=O)=O)n2)[C@H](C)C1 ZINC000187019503 530865812 /nfs/dbraw/zinc/86/58/12/530865812.db2.gz DSHKBDYLNUSNKR-ZBFHGGJFSA-N 1 0 389.587 1.914 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C1CCS(=O)(=O)CC1 ZINC000187046968 530866724 /nfs/dbraw/zinc/86/67/24/530866724.db2.gz TXLOXKRTMJPFLQ-UONOGXRCSA-N 1 0 388.555 1.801 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187096124 530867265 /nfs/dbraw/zinc/86/72/65/530867265.db2.gz JMBOPMMZJHKVNF-GFCCVEGCSA-N 1 0 379.931 1.917 20 0 GDADRO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1ccc(I)cc1 ZINC000110797829 530870209 /nfs/dbraw/zinc/87/02/09/530870209.db2.gz LOKQXPAPZNYSNX-SNVBAGLBSA-N 1 0 380.251 1.569 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)CCN1CC(F)(F)F ZINC000111194162 530873140 /nfs/dbraw/zinc/87/31/40/530873140.db2.gz GDGMZOVYKDNQTD-STQMWFEESA-N 1 0 377.432 1.874 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)CCN1CC(F)(F)F ZINC000111194160 530873148 /nfs/dbraw/zinc/87/31/48/530873148.db2.gz GDGMZOVYKDNQTD-QWHCGFSZSA-N 1 0 377.432 1.874 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000104186939 530837509 /nfs/dbraw/zinc/83/75/09/530837509.db2.gz IBZVSNARCAXDQS-NSHDSACASA-N 1 0 386.265 1.776 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1nnc(C(F)F)s1 ZINC000105019269 530841452 /nfs/dbraw/zinc/84/14/52/530841452.db2.gz YDETVDSUBLFMDV-SECBINFHSA-N 1 0 376.433 1.540 20 0 GDADRO C[N@H+](CCNC(=O)CCNS(=O)(=O)c1ccccc1Cl)C1CCCC1 ZINC000104927918 530841482 /nfs/dbraw/zinc/84/14/82/530841482.db2.gz VALXPIORNDNUJD-UHFFFAOYSA-N 1 0 387.933 1.999 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000185597252 530843697 /nfs/dbraw/zinc/84/36/97/530843697.db2.gz RDLZWSPMIXIKFD-UHFFFAOYSA-N 1 0 381.782 1.728 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188730308 530899533 /nfs/dbraw/zinc/89/95/33/530899533.db2.gz YDDINVIBFQXESD-WCFLWFBJSA-N 1 0 399.264 1.721 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000116115663 530902710 /nfs/dbraw/zinc/90/27/10/530902710.db2.gz HVUZUBXJAWOREO-JKSUJKDBSA-N 1 0 385.917 1.751 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000116115660 530902839 /nfs/dbraw/zinc/90/28/39/530902839.db2.gz HVUZUBXJAWOREO-HZPDHXFCSA-N 1 0 385.917 1.751 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 ZINC000189122073 530908102 /nfs/dbraw/zinc/90/81/02/530908102.db2.gz YMNCCRRYHVDUCZ-UHFFFAOYSA-N 1 0 379.448 1.930 20 0 GDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2F)CCO1 ZINC000116900222 530909949 /nfs/dbraw/zinc/90/99/49/530909949.db2.gz FBLJGPDEAOBXRE-VIFPVBQESA-N 1 0 399.257 1.678 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccsc1 ZINC000116941371 530910432 /nfs/dbraw/zinc/91/04/32/530910432.db2.gz DKTKGMVCXZEHIF-HUUCEWRRSA-N 1 0 388.559 1.464 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccsc1 ZINC000116941367 530910495 /nfs/dbraw/zinc/91/04/95/530910495.db2.gz DKTKGMVCXZEHIF-LSDHHAIUSA-N 1 0 388.559 1.464 20 0 GDADRO COC[C@H](C)C[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000187813317 530878362 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CN(C)c1ncc(Br)cc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000113148179 530887160 /nfs/dbraw/zinc/88/71/60/530887160.db2.gz WGOOCKHWNKKENH-UHFFFAOYSA-N 1 0 398.349 1.668 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000188205144 530888464 /nfs/dbraw/zinc/88/84/64/530888464.db2.gz GPMRBNBNBLZCFH-UHFFFAOYSA-N 1 0 385.839 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Br)cnc1N(C)C)C[NH+]1CCN(C)CC1 ZINC000113447347 530889733 /nfs/dbraw/zinc/88/97/33/530889733.db2.gz VNIIVRDAJRYHOT-ZDUSSCGKSA-N 1 0 398.349 1.523 20 0 GDADRO C[NH+](C)C[C@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000114199810 530893346 /nfs/dbraw/zinc/89/33/46/530893346.db2.gz OFNGAVBZEPZLQW-GFCCVEGCSA-N 1 0 375.441 1.505 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CSc1nnnn1CC(F)(F)F ZINC000114676082 530896213 /nfs/dbraw/zinc/89/62/13/530896213.db2.gz ZCPYDHAUFVKTAG-LLVKDONJSA-N 1 0 380.440 1.708 20 0 GDADRO O=C(c1cc(Cn2cc(Br)cn2)on1)N1CC[NH+]2CCC1CC2 ZINC000188627981 530897529 /nfs/dbraw/zinc/89/75/29/530897529.db2.gz 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531327121 /nfs/dbraw/zinc/32/71/21/531327121.db2.gz KVCASGXWQJFFSR-NEPJUHHUSA-N 1 0 382.452 1.276 20 0 GDADRO Cn1c2ccc(C[NH2+][C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)cc2sc1=O ZINC000527524150 531328210 /nfs/dbraw/zinc/32/82/10/531328210.db2.gz VVFMDQBDHSCALT-GUYCJALGSA-N 1 0 382.507 1.426 20 0 GDADRO Cc1ccsc1[C@@H](CO)[NH2+]CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000411563677 531329154 /nfs/dbraw/zinc/32/91/54/531329154.db2.gz FFSJSVFTTDDORJ-CQSZACIVSA-N 1 0 383.495 1.356 20 0 GDADRO CN(c1cccc(S(C)(=O)=O)c1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000477480982 531329930 /nfs/dbraw/zinc/32/99/30/531329930.db2.gz PPILZCISNHPBTO-UHFFFAOYSA-N 1 0 382.507 1.977 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N2CCc3ccc(F)c(Br)c3C2)nn1 ZINC000527616615 531332731 /nfs/dbraw/zinc/33/27/31/531332731.db2.gz IKHVPXXZYRZZTM-UHFFFAOYSA-N 1 0 382.237 1.727 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000440346877 531333648 /nfs/dbraw/zinc/33/36/48/531333648.db2.gz HKCRUWSKZJGXRH-QMTHXVAHSA-N 1 0 379.479 1.088 20 0 GDADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1ccc(Br)cn1 ZINC000440335483 531333945 /nfs/dbraw/zinc/33/39/45/531333945.db2.gz CQFQDVZKFVTJNE-UHFFFAOYSA-N 1 0 385.287 1.697 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000440357586 531334293 /nfs/dbraw/zinc/33/42/93/531334293.db2.gz RCYPGKLYMRECGJ-UHFFFAOYSA-N 1 0 380.297 1.187 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000440351409 531334470 /nfs/dbraw/zinc/33/44/70/531334470.db2.gz DLWMCKURTZDANZ-CQSZACIVSA-N 1 0 385.917 1.481 20 0 GDADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(Br)c(OC)cc2OC)C1 ZINC000440355481 531334552 /nfs/dbraw/zinc/33/45/52/531334552.db2.gz GIAOQZBRTWCRAT-SECBINFHSA-N 1 0 379.276 1.449 20 0 GDADRO CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000527739202 531334607 /nfs/dbraw/zinc/33/46/07/531334607.db2.gz ULGHRSPCKYCEOJ-INIZCTEOSA-N 1 0 385.917 1.408 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000440350335 531334793 /nfs/dbraw/zinc/33/47/93/531334793.db2.gz BRRMNQGRTYHQHL-NSHDSACASA-N 1 0 377.260 1.266 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1Br ZINC000440846211 531348009 /nfs/dbraw/zinc/34/80/09/531348009.db2.gz LDVIKPUNEFTULZ-KOLCDFICSA-N 1 0 390.303 1.765 20 0 GDADRO CC1(CNS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC[NH2+]CC1 ZINC000440853056 531348167 /nfs/dbraw/zinc/34/81/67/531348167.db2.gz AYGBANMKBDYAHM-UHFFFAOYSA-N 1 0 394.946 1.553 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1Cl ZINC000440851700 531348191 /nfs/dbraw/zinc/34/81/91/531348191.db2.gz GGLKFOHYZBIEEG-GHMZBOCLSA-N 1 0 376.862 1.253 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])cc1Cl ZINC000440851701 531348243 /nfs/dbraw/zinc/34/82/43/531348243.db2.gz GGLKFOHYZBIEEG-MNOVXSKESA-N 1 0 376.862 1.253 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)N3CCO[C@H](C[NH3+])C3)CC2=O)ccc1Br ZINC000478713343 531348601 /nfs/dbraw/zinc/34/86/01/531348601.db2.gz CPKWAFDTCSXKBT-GXTWGEPZSA-N 1 0 396.285 1.297 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@@H](C[NH3+])C1 ZINC000440863268 531349048 /nfs/dbraw/zinc/34/90/48/531349048.db2.gz UPYKQBMQWMFDGE-GHMZBOCLSA-N 1 0 376.862 1.238 20 0 GDADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C[C@H](C[NH3+])OC ZINC000278295912 531350747 /nfs/dbraw/zinc/35/07/47/531350747.db2.gz RKQDGZKROZRQFP-KGLIPLIRSA-N 1 0 377.268 1.948 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)C1 ZINC000528042740 531339592 /nfs/dbraw/zinc/33/95/92/531339592.db2.gz HUHKYBVHACSPNF-ZDUSSCGKSA-N 1 0 385.917 1.869 20 0 GDADRO CN1CCO[C@H]2CCN(C(=O)C(=O)Nc3ncc(C(F)(F)F)s3)C[C@@H]21 ZINC000292185437 531340420 /nfs/dbraw/zinc/34/04/20/531340420.db2.gz ZNRDGWPMXCMUIY-IUCAKERBSA-N 1 0 378.376 1.032 20 0 GDADRO COC(=O)[C@H]1CN(Cc2ccc(I)cc2)CC[N@H+](C)C1 ZINC000411898873 531344785 /nfs/dbraw/zinc/34/47/85/531344785.db2.gz ANJSECZCOSTOMI-CYBMUJFWSA-N 1 0 388.249 1.828 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@@]2(C)Br)c1 ZINC000528382409 531351797 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C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CSc1nnnn1CC(F)(F)F ZINC000479611135 531361926 /nfs/dbraw/zinc/36/19/26/531361926.db2.gz CACPZBGERKNPSK-JTQLQIEISA-N 1 0 380.440 1.516 20 0 GDADRO COc1cc(I)c(C(=O)NC[C@@H](C)C[NH3+])cc1OC ZINC000441606964 531362201 /nfs/dbraw/zinc/36/22/01/531362201.db2.gz DVCSDLRXYPKIIT-QMMMGPOBSA-N 1 0 378.210 1.633 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000266717381 531364113 /nfs/dbraw/zinc/36/41/13/531364113.db2.gz ZAYIDAGICKIJFF-LBPRGKRZSA-N 1 0 384.274 1.533 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000480674295 531375598 /nfs/dbraw/zinc/37/55/98/531375598.db2.gz KDHQKLALKADKOU-LLVKDONJSA-N 1 0 381.495 1.206 20 0 GDADRO O=S1(=O)CC[C@@H]([NH2+]CCCn2ccnn2)c2cc(Br)ccc21 ZINC000480677479 531375917 /nfs/dbraw/zinc/37/59/17/531375917.db2.gz DVXVFYFIUOBAEL-CYBMUJFWSA-N 1 0 385.287 1.939 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000442785790 531376690 /nfs/dbraw/zinc/37/66/90/531376690.db2.gz YJRGMDLEUYPASA-CHWSQXEVSA-N 1 0 386.327 1.706 20 0 GDADRO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](C[C@H]3CCSC3)CC2)cc1 ZINC000278509651 531365865 /nfs/dbraw/zinc/36/58/65/531365865.db2.gz WQLPOMPKEGXBCS-CYBMUJFWSA-N 1 0 383.539 1.738 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cc2c(cc1Br)OCCO2)C[NH+](C)C ZINC000292762677 531376465 /nfs/dbraw/zinc/37/64/65/531376465.db2.gz VBRSZHZBUMWGPT-SNVBAGLBSA-N 1 0 393.303 1.696 20 0 GDADRO Cc1nc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000278549381 531367454 /nfs/dbraw/zinc/36/74/54/531367454.db2.gz PFTZNFUPBPYEGX-CHWSQXEVSA-N 1 0 381.274 1.834 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(O)cc(Br)c2)CC1 ZINC000528567906 531368723 /nfs/dbraw/zinc/36/87/23/531368723.db2.gz VAYBUYQLHCYHNF-UHFFFAOYSA-N 1 0 398.301 1.685 20 0 GDADRO C[NH+](C)CC1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000528559658 531369158 /nfs/dbraw/zinc/36/91/58/531369158.db2.gz FOFXQMINVBVVTG-UHFFFAOYSA-N 1 0 391.896 1.558 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000292689335 531370732 /nfs/dbraw/zinc/37/07/32/531370732.db2.gz RKWAAWOVHMWYGT-UONOGXRCSA-N 1 0 391.559 1.302 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2ccoc2Br)(N2CCOCC2)CC1 ZINC000412456924 531371067 /nfs/dbraw/zinc/37/10/67/531371067.db2.gz BDGKZWFAFOLOCU-UHFFFAOYSA-N 1 0 386.290 1.569 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000528691426 531372638 /nfs/dbraw/zinc/37/26/38/531372638.db2.gz URQFXAVMIIJQOL-CQSZACIVSA-N 1 0 394.273 1.804 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(I)cc1F ZINC000528698875 531372942 /nfs/dbraw/zinc/37/29/42/531372942.db2.gz XZYAISUOTBUNEP-VIFPVBQESA-N 1 0 379.173 1.540 20 0 GDADRO CC(=O)NCC(=O)N1CCCN(Cc2ccc(F)cc2Br)CC1 ZINC000528729471 531372986 /nfs/dbraw/zinc/37/29/86/531372986.db2.gz QURJYRIFSVPPCT-UHFFFAOYSA-N 1 0 386.265 1.759 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c(Cl)c1 ZINC000481390021 531385637 /nfs/dbraw/zinc/38/56/37/531385637.db2.gz KIXFJLGZCGIKEI-HNNXBMFYSA-N 1 0 392.930 1.842 20 0 GDADRO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000278765602 531387844 /nfs/dbraw/zinc/38/78/44/531387844.db2.gz BVSLHGYDPMPFGN-HZPDHXFCSA-N 1 0 388.917 1.580 20 0 GDADRO CC[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482007969 531393344 /nfs/dbraw/zinc/39/33/44/531393344.db2.gz PWFOATYCNWVCAG-GDBMZVCRSA-N 1 0 375.922 1.355 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000266927429 531377519 /nfs/dbraw/zinc/37/75/19/531377519.db2.gz MXBRHFMWCOWNKM-UHFFFAOYSA-N 1 0 383.290 1.374 20 0 GDADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CC[C@@H](CO)C1 ZINC000266951676 531378808 /nfs/dbraw/zinc/37/88/08/531378808.db2.gz UJLHLZXQTBUEMY-VXGBXAGGSA-N 1 0 389.905 1.232 20 0 GDADRO Cn1cc(Br)c(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)n1 ZINC000292813072 531380648 /nfs/dbraw/zinc/38/06/48/531380648.db2.gz CMHKRLLZGOSXBW-UHFFFAOYSA-N 1 0 393.289 1.259 20 0 GDADRO OCc1cn([C@H]2CCC[N@H+](C[C@@H](O)c3ccccc3Br)C2)nn1 ZINC000293043428 531397679 /nfs/dbraw/zinc/39/76/79/531397679.db2.gz SNELOLOKTSSXJE-XJKSGUPXSA-N 1 0 381.274 1.903 20 0 GDADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000530544631 531398067 /nfs/dbraw/zinc/39/80/67/531398067.db2.gz BQWQXZGKBMLJKW-INIZCTEOSA-N 1 0 389.543 1.123 20 0 GDADRO CSc1ccccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000444194224 531398187 /nfs/dbraw/zinc/39/81/87/531398187.db2.gz MEZLOQJZUQGNFK-AWEZNQCLSA-N 1 0 387.571 1.779 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000530567126 531399026 /nfs/dbraw/zinc/39/90/26/531399026.db2.gz AMGTYOGHJNPXOP-HNNXBMFYSA-N 1 0 386.539 1.443 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCCC[NH+](C)C ZINC000293094298 531400123 /nfs/dbraw/zinc/40/01/23/531400123.db2.gz TXKNWUWTCVLPOA-UHFFFAOYSA-N 1 0 377.894 1.280 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000267126658 531400915 /nfs/dbraw/zinc/40/09/15/531400915.db2.gz YQQFHUVHYAQWFC-UHFFFAOYSA-N 1 0 389.905 1.530 20 0 GDADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278925486 531402972 /nfs/dbraw/zinc/40/29/72/531402972.db2.gz DMSHXRANHHAYFZ-QMMMGPOBSA-N 1 0 390.245 1.450 20 0 GDADRO COC(=O)CC1([NH2+]Cc2ccc(Cl)cc2OC)CCS(=O)(=O)CC1 ZINC000482859810 531403806 /nfs/dbraw/zinc/40/38/06/531403806.db2.gz OCZIGXBTKJGMHD-UHFFFAOYSA-N 1 0 375.874 1.949 20 0 GDADRO NC(=O)[C@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1cccc(Br)c1 ZINC000278990951 531406571 /nfs/dbraw/zinc/40/65/71/531406571.db2.gz LAULBZYBYXQLPS-IINYFYTJSA-N 1 0 392.257 1.206 20 0 GDADRO Cc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1NS(C)(=O)=O ZINC000267186577 531408617 /nfs/dbraw/zinc/40/86/17/531408617.db2.gz NVQGNVXBIIDWJC-INIZCTEOSA-N 1 0 386.543 1.925 20 0 GDADRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000484130695 531417121 /nfs/dbraw/zinc/41/71/21/531417121.db2.gz MJHCXAHUITWRKX-ZBFHGGJFSA-N 1 0 388.555 1.472 20 0 GDADRO Cn1ncc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1I ZINC000293265401 531411036 /nfs/dbraw/zinc/41/10/36/531411036.db2.gz DQAYRZRYRPPHHG-NSHDSACASA-N 1 0 388.253 1.725 20 0 GDADRO Cn1cc(Br)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000293259727 531411056 /nfs/dbraw/zinc/41/10/56/531411056.db2.gz GJLVZQMAJCWVCO-KBPBESRZSA-N 1 0 385.306 1.680 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)cc1Cl ZINC000267238687 531413981 /nfs/dbraw/zinc/41/39/81/531413981.db2.gz SPHLHZPMTRKFOF-UHFFFAOYSA-N 1 0 389.905 1.688 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000447244726 531422126 /nfs/dbraw/zinc/42/21/26/531422126.db2.gz DLKJXMQUMSSPFF-NXEZZACHSA-N 1 0 391.287 1.594 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000447244688 531422158 /nfs/dbraw/zinc/42/21/58/531422158.db2.gz LLLVWCYMMQWFQA-ZJUUUORDSA-N 1 0 391.287 1.594 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(Br)c1 ZINC000447245771 531422317 /nfs/dbraw/zinc/42/23/17/531422317.db2.gz NUCHHXYAGBYHIP-VHSXEESVSA-N 1 0 391.287 1.594 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1F ZINC000447253009 531422826 /nfs/dbraw/zinc/42/28/26/531422826.db2.gz VMTGAFOQDGRGHF-NEPJUHHUSA-N 1 0 393.506 1.335 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000267302381 531418199 /nfs/dbraw/zinc/41/81/99/531418199.db2.gz VAXPQVHDNQMOHK-UONOGXRCSA-N 1 0 389.543 1.088 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)CCc2cccc(Br)c2)CC[N@H+](C)C1 ZINC000413919229 531424382 /nfs/dbraw/zinc/42/43/82/531424382.db2.gz MFUZPOIDIZCTIT-AWEZNQCLSA-N 1 0 383.286 1.945 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000414092445 531430803 /nfs/dbraw/zinc/43/08/03/531430803.db2.gz LONDDKXNKRYLDB-ONGXEEELSA-N 1 0 396.207 1.752 20 0 GDADRO CS[C@@H]1CN(C(=O)c2c(I)cnn2C)C[C@H]1[NH+](C)C ZINC000293601622 531430985 /nfs/dbraw/zinc/43/09/85/531430985.db2.gz XVMRWVIBDKHLEF-NXEZZACHSA-N 1 0 394.282 1.142 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cnn(C)c1I ZINC000293572046 531429438 /nfs/dbraw/zinc/42/94/38/531429438.db2.gz HAVMZBHJCGFYAC-QWRGUYRKSA-N 1 0 388.253 1.724 20 0 GDADRO C[NH+](C)CCCN(C(=O)COC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000447502838 531429660 /nfs/dbraw/zinc/42/96/60/531429660.db2.gz WAIZOJUZRKNXHP-LBPRGKRZSA-N 1 0 388.452 1.311 20 0 GDADRO CC(C)(CCC[NH3+])NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000293588601 531429768 /nfs/dbraw/zinc/42/97/68/531429768.db2.gz DVCRHWHUMFPFSF-UHFFFAOYSA-N 1 0 378.292 1.344 20 0 GDADRO CC(C)(CCC[NH3+])NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000293588564 531429901 /nfs/dbraw/zinc/42/99/01/531429901.db2.gz DUGDMKGNKWKEDN-UHFFFAOYSA-N 1 0 391.331 1.998 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414075271 531429979 /nfs/dbraw/zinc/42/99/79/531429979.db2.gz OUJVLKAKXZDCSJ-LBPRGKRZSA-N 1 0 394.335 1.261 20 0 GDADRO C[NH+](C)C1(CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCCCC1 ZINC000267558243 531434777 /nfs/dbraw/zinc/43/47/77/531434777.db2.gz AHPHDUAKKYGKKP-UHFFFAOYSA-N 1 0 387.278 1.092 20 0 GDADRO OC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCO1 ZINC000447923718 531441544 /nfs/dbraw/zinc/44/15/44/531441544.db2.gz SYGBXOPNVDDYDM-VHDGCEQUSA-N 1 0 378.238 1.457 20 0 GDADRO C[C@@H](CNCc1ccc(S(N)(=O)=O)c(Br)c1)C[NH+]1CCCC1 ZINC000414292126 531437870 /nfs/dbraw/zinc/43/78/70/531437870.db2.gz OPMLJEHOFSQOMV-LBPRGKRZSA-N 1 0 390.347 1.918 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cnc4ccsc4c3)C2)CC1 ZINC000267611481 531438519 /nfs/dbraw/zinc/43/85/19/531438519.db2.gz HTUZQXLCTQIAFG-CQSZACIVSA-N 1 0 380.539 1.697 20 0 GDADRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1(C)C ZINC000414359423 531443686 /nfs/dbraw/zinc/44/36/86/531443686.db2.gz DNUBDWMIDCLHHA-STQMWFEESA-N 1 0 377.304 2.000 20 0 GDADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000486058590 531444984 /nfs/dbraw/zinc/44/49/84/531444984.db2.gz BEHOIAMWZUGIKP-APHBMKBZSA-N 1 0 375.462 1.700 20 0 GDADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000279612194 531445022 /nfs/dbraw/zinc/44/50/22/531445022.db2.gz RACVAFMIQRQBFR-KGLIPLIRSA-N 1 0 394.946 1.564 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279783729 531453907 /nfs/dbraw/zinc/45/39/07/531453907.db2.gz GZMXRDBHYPWEDU-NSHDSACASA-N 1 0 377.919 1.423 20 0 GDADRO C[NH+](C)CCn1nccc1NC(=O)c1nccn2c(Br)cnc12 ZINC000293971679 531455076 /nfs/dbraw/zinc/45/50/76/531455076.db2.gz FVVCXSBHVQGWFK-UHFFFAOYSA-N 1 0 378.234 1.502 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000267847691 531456180 /nfs/dbraw/zinc/45/61/80/531456180.db2.gz DLLAZZBRMRVDNN-CYBMUJFWSA-N 1 0 377.532 1.019 20 0 GDADRO C[N@H+](CC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)[C@H]1CCSC1 ZINC000486589440 531456302 /nfs/dbraw/zinc/45/63/02/531456302.db2.gz YINZICZIRRAOJL-GXTWGEPZSA-N 1 0 386.315 1.529 20 0 GDADRO CN(C)S(=O)(=O)n1ccnc1CNCCc1cccc(C(F)(F)F)n1 ZINC000294031620 531457527 /nfs/dbraw/zinc/45/75/27/531457527.db2.gz VSKSFDUQFMKJQT-UHFFFAOYSA-N 1 0 377.392 1.284 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2C[NH+](C)C)s1 ZINC000486663540 531457710 /nfs/dbraw/zinc/45/77/10/531457710.db2.gz ZXJWYRIVVVSMCL-UHFFFAOYSA-N 1 0 381.523 1.826 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2OC(C)C)C1 ZINC000415304027 531473803 /nfs/dbraw/zinc/47/38/03/531473803.db2.gz TYJKEAWKYATZJN-GFCCVEGCSA-N 1 0 384.274 1.995 20 0 GDADRO COC(=O)c1sc(NC(=O)N[C@H](CC[NH3+])C(F)F)c(C(=O)OC)c1C ZINC000415323897 531474300 /nfs/dbraw/zinc/47/43/00/531474300.db2.gz DFLZIRZDIQSCEB-SSDOTTSWSA-N 1 0 379.385 1.734 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415316694 531474917 /nfs/dbraw/zinc/47/49/17/531474917.db2.gz OKHGGQPIDHDHNU-CYBMUJFWSA-N 1 0 383.290 1.317 20 0 GDADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CCC(=O)NC ZINC000541922743 531474970 /nfs/dbraw/zinc/47/49/70/531474970.db2.gz OMPHOPCDUUJJLX-UHFFFAOYSA-N 1 0 387.274 1.925 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)ccc1Cl ZINC000268101731 531475538 /nfs/dbraw/zinc/47/55/38/531475538.db2.gz CACVQNKWYKXEHX-LBPRGKRZSA-N 1 0 389.905 1.041 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000449755694 531476685 /nfs/dbraw/zinc/47/66/85/531476685.db2.gz UJQDTNUGMOWRHI-NSHDSACASA-N 1 0 393.278 1.862 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cc2sccc2Br)C1 ZINC000448875248 531461465 /nfs/dbraw/zinc/46/14/65/531461465.db2.gz QVODDCZVEVQAKW-NSHDSACASA-N 1 0 388.331 1.757 20 0 GDADRO CC[N@H+](CCNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)C1CC1 ZINC000279954314 531463588 /nfs/dbraw/zinc/46/35/88/531463588.db2.gz OQNLYGIMLWWDGR-CQSZACIVSA-N 1 0 383.290 1.759 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000267978064 531465284 /nfs/dbraw/zinc/46/52/84/531465284.db2.gz FIPMCUWDLTYHSV-UHFFFAOYSA-N 1 0 385.511 1.600 20 0 GDADRO Cn1ncc(Br)c1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000486945498 531465604 /nfs/dbraw/zinc/46/56/04/531465604.db2.gz XHIPLLKXEGXGIU-AWEZNQCLSA-N 1 0 375.336 1.480 20 0 GDADRO CN1CCN(C(=O)CC[NH2+]Cc2ccc(I)cc2)CC1 ZINC000449128097 531466189 /nfs/dbraw/zinc/46/61/89/531466189.db2.gz RGUVMICTNNSKIZ-UHFFFAOYSA-N 1 0 387.265 1.545 20 0 GDADRO COc1ccc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000415166919 531466383 /nfs/dbraw/zinc/46/63/83/531466383.db2.gz GTMISVHYKCGZIJ-CYBMUJFWSA-N 1 0 383.290 1.969 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000415191817 531466943 /nfs/dbraw/zinc/46/69/43/531466943.db2.gz UPQKLNRKSJTECS-SNVBAGLBSA-N 1 0 380.392 1.482 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000415272936 531470276 /nfs/dbraw/zinc/47/02/76/531470276.db2.gz UQJNJQCUNBYRTG-UHFFFAOYSA-N 1 0 377.242 1.886 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415267588 531470345 /nfs/dbraw/zinc/47/03/45/531470345.db2.gz IMURGTTZIGZXAW-LLVKDONJSA-N 1 0 377.242 1.886 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N2CCC([NH3+])CC2)ccc1Br ZINC000415268292 531470934 /nfs/dbraw/zinc/47/09/34/531470934.db2.gz NRZOYLNTWWUIMD-UHFFFAOYSA-N 1 0 398.257 1.432 20 0 GDADRO O=S(=O)(c1cnc(Cl)c(Br)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000294291036 531471676 /nfs/dbraw/zinc/47/16/76/531471676.db2.gz UFLDNGGGRKYKBJ-SECBINFHSA-N 1 0 380.695 1.966 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCCC[NH3+])n(-c2cccc(Br)c2)n1 ZINC000415291095 531471807 /nfs/dbraw/zinc/47/18/07/531471807.db2.gz IQTRHSRQKUVWSY-UHFFFAOYSA-N 1 0 380.246 1.347 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C1 ZINC000415292116 531471962 /nfs/dbraw/zinc/47/19/62/531471962.db2.gz BCAJOPZUAQVCTP-JTQLQIEISA-N 1 0 383.239 1.333 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000280184698 531479556 /nfs/dbraw/zinc/47/95/56/531479556.db2.gz GTINZEOGHILJMJ-IUODEOHRSA-N 1 0 383.905 1.728 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1cccc(F)c1I ZINC000415366829 531479932 /nfs/dbraw/zinc/47/99/32/531479932.db2.gz XADGYSDHMKAFNT-UHFFFAOYSA-N 1 0 381.189 1.788 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cccc(F)c1I ZINC000415370888 531479950 /nfs/dbraw/zinc/47/99/50/531479950.db2.gz RNYQYTGHUXZROV-UHFFFAOYSA-N 1 0 379.173 1.095 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1ccncc1Br ZINC000415379503 531480349 /nfs/dbraw/zinc/48/03/49/531480349.db2.gz FNZVPMNDDRVKNF-LLVKDONJSA-N 1 0 396.211 1.224 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415383485 531481318 /nfs/dbraw/zinc/48/13/18/531481318.db2.gz SVYAQEGIKWRYRM-LLVKDONJSA-N 1 0 377.242 1.804 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(I)cnn1C ZINC000294516188 531483272 /nfs/dbraw/zinc/48/32/72/531483272.db2.gz JXDVESIOUWOHTM-JTQLQIEISA-N 1 0 390.269 1.827 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000415416342 531484568 /nfs/dbraw/zinc/48/45/68/531484568.db2.gz SKTHWYGWIZNUEF-VIFPVBQESA-N 1 0 386.246 1.146 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000415433697 531485961 /nfs/dbraw/zinc/48/59/61/531485961.db2.gz VQYCHRQDQCCSPC-JTQLQIEISA-N 1 0 375.878 1.172 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415438103 531486081 /nfs/dbraw/zinc/48/60/81/531486081.db2.gz LPUVKURCXUUVCT-LLVKDONJSA-N 1 0 386.246 1.274 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1Br ZINC000415439965 531486237 /nfs/dbraw/zinc/48/62/37/531486237.db2.gz DWWNTKGTFGCKIE-NOZJJQNGSA-N 1 0 398.257 1.370 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415443228 531486628 /nfs/dbraw/zinc/48/66/28/531486628.db2.gz QVDMOJZISLDJEE-LLVKDONJSA-N 1 0 395.261 1.068 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(I)cc2)CC[C@@H]1[NH3+] ZINC000415446812 531486870 /nfs/dbraw/zinc/48/68/70/531486870.db2.gz IMTQTXGWZZOPPX-CABZTGNLSA-N 1 0 387.221 1.425 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1Br ZINC000415462520 531487667 /nfs/dbraw/zinc/48/76/67/531487667.db2.gz PHMPZZBPKPSNIJ-GXSJLCMTSA-N 1 0 398.257 1.370 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)s1 ZINC000363514726 531488860 /nfs/dbraw/zinc/48/88/60/531488860.db2.gz WZSCRMBFXPYTJN-JHJVBQTASA-N 1 0 388.511 1.407 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc(OC)c1Br ZINC000415466779 531489104 /nfs/dbraw/zinc/48/91/04/531489104.db2.gz HVKRPXXBNWQDEC-SNVBAGLBSA-N 1 0 386.246 1.355 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000363514727 531489371 /nfs/dbraw/zinc/48/93/71/531489371.db2.gz WZSCRMBFXPYTJN-RWMBFGLXSA-N 1 0 388.511 1.407 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415481020 531489606 /nfs/dbraw/zinc/48/96/06/531489606.db2.gz JUCSFIHLJADCDA-UHFFFAOYSA-N 1 0 383.250 1.387 20 0 GDADRO C[C@@](O)(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)c1ccc(Br)cc1F ZINC000294643910 531489984 /nfs/dbraw/zinc/48/99/84/531489984.db2.gz QCIDJSRVKKCPQA-MRXNPFEDSA-N 1 0 382.233 1.937 20 0 GDADRO C[C@@H](O)C[NH+]1CCN(C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000294668376 531490712 /nfs/dbraw/zinc/49/07/12/531490712.db2.gz RRZIJGVCONYECY-MLGOLLRUSA-N 1 0 375.282 1.794 20 0 GDADRO O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)N1CC[NH2+]CC1 ZINC000415498496 531490756 /nfs/dbraw/zinc/49/07/56/531490756.db2.gz JQBQZLCEICTCHP-UHFFFAOYSA-N 1 0 386.250 2.544 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415494962 531491278 /nfs/dbraw/zinc/49/12/78/531491278.db2.gz IQCMFBJQZMXYIE-GFCCVEGCSA-N 1 0 389.237 1.863 20 0 GDADRO CC[C@H](CO)N1CCN(C(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC000450265792 531491296 /nfs/dbraw/zinc/49/12/96/531491296.db2.gz ZFFGNGSQLJHZAM-SNVBAGLBSA-N 1 0 375.238 1.823 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415544377 531492342 /nfs/dbraw/zinc/49/23/42/531492342.db2.gz TXBITZDSRNFECC-JGVFFNPUSA-N 1 0 376.201 1.862 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)c(OC)cc2Br)C1 ZINC000294705438 531492805 /nfs/dbraw/zinc/49/28/05/531492805.db2.gz UAERHPBLDMQTLL-LLVKDONJSA-N 1 0 387.274 1.917 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415354620 531478301 /nfs/dbraw/zinc/47/83/01/531478301.db2.gz CDUWRWYVJZZJCK-UHFFFAOYSA-N 1 0 394.273 1.162 20 0 GDADRO CSCC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N(C)C ZINC000489823399 531510621 /nfs/dbraw/zinc/51/06/21/531510621.db2.gz AELULZXWXIFXNO-CJNGLKHVSA-N 1 0 387.571 1.797 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415658627 531510979 /nfs/dbraw/zinc/51/09/79/531510979.db2.gz NNWIZELBYFNOGU-HQJQHLMTSA-N 1 0 376.201 1.780 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000557754500 531519546 /nfs/dbraw/zinc/51/95/46/531519546.db2.gz ZWRNGOUKNXVEDY-UHFFFAOYSA-N 1 0 376.588 1.879 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415689115 531514363 /nfs/dbraw/zinc/51/43/63/531514363.db2.gz KLRLVJXASWFXSI-MRXNPFEDSA-N 1 0 381.274 1.857 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415698339 531515337 /nfs/dbraw/zinc/51/53/37/531515337.db2.gz YHDQCVIVEMZVCU-INIZCTEOSA-N 1 0 381.889 1.938 20 0 GDADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415700622 531515385 /nfs/dbraw/zinc/51/53/85/531515385.db2.gz ABHKPRLOFNIWGZ-GFCCVEGCSA-N 1 0 399.264 1.033 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000268452719 531515528 /nfs/dbraw/zinc/51/55/28/531515528.db2.gz JECULFHOQNBOIJ-UHFFFAOYSA-N 1 0 397.317 1.484 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000295031787 531516463 /nfs/dbraw/zinc/51/64/63/531516463.db2.gz LSIPZYZUKZDNAJ-ZDUSSCGKSA-N 1 0 377.304 1.801 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2ccc(C)c(Br)c2)CC[NH2+]CC1 ZINC000415707195 531517451 /nfs/dbraw/zinc/51/74/51/531517451.db2.gz NFTXVBQSQUSQSM-UHFFFAOYSA-N 1 0 398.301 1.828 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000450906672 531517928 /nfs/dbraw/zinc/51/79/28/531517928.db2.gz PWGVNEZERCOMDJ-CHWSQXEVSA-N 1 0 379.404 1.663 20 0 GDADRO Cc1cc(Cl)c(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000415711517 531518401 /nfs/dbraw/zinc/51/84/01/531518401.db2.gz SLYHQNAKVPXRHJ-LBPRGKRZSA-N 1 0 385.295 1.746 20 0 GDADRO CC[NH+](CC)CCN(C(=O)[C@H]1CC12CCSCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000450378462 531494197 /nfs/dbraw/zinc/49/41/97/531494197.db2.gz NHQFMJZTSMYKFI-HZPDHXFCSA-N 1 0 388.599 1.877 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415554000 531494466 /nfs/dbraw/zinc/49/44/66/531494466.db2.gz AVWHZXQMXFLVNG-JGVFFNPUSA-N 1 0 376.201 1.862 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c3cccnc23)CCC1 ZINC000415559510 531494889 /nfs/dbraw/zinc/49/48/89/531494889.db2.gz LETALOCLUOQDHZ-UHFFFAOYSA-N 1 0 377.242 1.933 20 0 GDADRO CNC(=O)CC[N@H+](C)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000294776764 531496497 /nfs/dbraw/zinc/49/64/97/531496497.db2.gz JUJDFRKVZMZDDQ-LLVKDONJSA-N 1 0 386.290 1.530 20 0 GDADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000581548202 531497302 /nfs/dbraw/zinc/49/73/02/531497302.db2.gz XICFQCWPBZERSL-UHFFFAOYSA-N 1 0 377.894 1.504 20 0 GDADRO COc1cc(C(=O)NCC[N@@H+]2CCCOCC2)cc(Br)c1OC ZINC000556571403 531499111 /nfs/dbraw/zinc/49/91/11/531499111.db2.gz YGZXARBKACUEMI-UHFFFAOYSA-N 1 0 387.274 1.918 20 0 GDADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000581575987 531500330 /nfs/dbraw/zinc/50/03/30/531500330.db2.gz MHBTWHUVQAGDGC-DOTOQJQBSA-N 1 0 376.563 1.546 20 0 GDADRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280499627 531504082 /nfs/dbraw/zinc/50/40/82/531504082.db2.gz DPYSVGMAGOSSIB-SNVBAGLBSA-N 1 0 392.319 1.662 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc(Br)cc2)CC1=O ZINC000556928909 531505760 /nfs/dbraw/zinc/50/57/60/531505760.db2.gz MYSLQHLAPYCXOF-OAHLLOKOSA-N 1 0 398.301 1.358 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2I)C1 ZINC000415642135 531506675 /nfs/dbraw/zinc/50/66/75/531506675.db2.gz GWUYZOABSLZSGQ-UWVGGRQHSA-N 1 0 387.221 1.616 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000363774512 531507306 /nfs/dbraw/zinc/50/73/06/531507306.db2.gz ODWVNAYDONHIHQ-GJZGRUSLSA-N 1 0 396.285 1.675 20 0 GDADRO CCCN(CC[NH+]1CCCC1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000581698751 531508711 /nfs/dbraw/zinc/50/87/11/531508711.db2.gz VBOKKYOHESWXJC-UHFFFAOYSA-N 1 0 387.933 1.953 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415650350 531509348 /nfs/dbraw/zinc/50/93/48/531509348.db2.gz QFPYLNCJASIDTI-TXEJJXNPSA-N 1 0 382.258 1.749 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000557609891 531510091 /nfs/dbraw/zinc/51/00/91/531510091.db2.gz RGXBBHSXEIFOKP-IXXDHKBRSA-N 1 0 377.576 1.131 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000581881690 531522217 /nfs/dbraw/zinc/52/22/17/531522217.db2.gz CGBBYTRCXMLLSL-IUODEOHRSA-N 1 0 382.302 1.755 20 0 GDADRO CN(C(=O)C(=O)NCc1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550362495 531526200 /nfs/dbraw/zinc/52/62/00/531526200.db2.gz SNCUPHOUUAXEFL-OAHLLOKOSA-N 1 0 380.286 1.760 20 0 GDADRO C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC[NH2+]1 ZINC000582004147 531526980 /nfs/dbraw/zinc/52/69/80/531526980.db2.gz GMDHMMAHKFLFIG-WDEREUQCSA-N 1 0 379.404 1.240 20 0 GDADRO COc1ccc(NS(C)(=O)=O)cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415780149 531528646 /nfs/dbraw/zinc/52/86/46/531528646.db2.gz CEKPFIULRIVUSO-LBPRGKRZSA-N 1 0 378.401 1.185 20 0 GDADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(F)cc(Br)c1F)C(F)F ZINC000415785107 531529427 /nfs/dbraw/zinc/52/94/27/531529427.db2.gz HUVAIRSSIJPWOT-ZETCQYMHSA-N 1 0 386.143 1.765 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(Br)c2)C1 ZINC000658779091 531529828 /nfs/dbraw/zinc/52/98/28/531529828.db2.gz NZAPJCQYUPYNRQ-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)CC1CCS(=O)(=O)CC1)c1ccco1 ZINC000557844159 531529878 /nfs/dbraw/zinc/52/98/78/531529878.db2.gz OZEYLBBOIHAZHT-ZFWWWQNUSA-N 1 0 392.543 1.453 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1)[C@H](C)[NH3+] ZINC000415792936 531531791 /nfs/dbraw/zinc/53/17/91/531531791.db2.gz UECFDYCOVUBMCI-WDEREUQCSA-N 1 0 399.289 1.076 20 0 GDADRO CN(CC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000636092994 531536921 /nfs/dbraw/zinc/53/69/21/531536921.db2.gz YPTLMGLSZYUYRE-GASCZTMLSA-N 1 0 385.917 1.704 20 0 GDADRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000295197711 531536967 /nfs/dbraw/zinc/53/69/67/531536967.db2.gz SBRXVIMOBFYMSI-UHFFFAOYSA-N 1 0 378.903 1.284 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CCO1 ZINC000659001224 531537227 /nfs/dbraw/zinc/53/72/27/531537227.db2.gz QQHRMIOMHCQBOU-CYBMUJFWSA-N 1 0 399.289 1.352 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1OC ZINC000415825779 531537756 /nfs/dbraw/zinc/53/77/56/531537756.db2.gz AYQZTARHWLHHSM-PSASIEDQSA-N 1 0 386.246 1.210 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415828764 531538121 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COc1cc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc(OC)c1Br ZINC000659089204 531540314 /nfs/dbraw/zinc/54/03/14/531540314.db2.gz BLIPMDPCAHQYCF-UHFFFAOYSA-N 1 0 388.262 1.601 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1OC ZINC000659096740 531540523 /nfs/dbraw/zinc/54/05/23/531540523.db2.gz HAPLVZBPOCPSTA-UHFFFAOYSA-N 1 0 388.262 1.601 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)CC[C@H]1F ZINC000659110047 531541509 /nfs/dbraw/zinc/54/15/09/531541509.db2.gz UILDCNVWOFBWCB-RKDXNWHRSA-N 1 0 396.220 1.229 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[C@H]1F ZINC000659108338 531542501 /nfs/dbraw/zinc/54/25/01/531542501.db2.gz LFUKSSQTCYYTNS-GMSGAONNSA-N 1 0 380.164 1.564 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000415854722 531543635 /nfs/dbraw/zinc/54/36/35/531543635.db2.gz XEMJOSDGSHRPEP-MNOVXSKESA-N 1 0 387.889 1.125 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000552189846 531553376 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380.666 1.534 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662413268 531677661 /nfs/dbraw/zinc/67/76/61/531677661.db2.gz VLZYOUKMNYHLKR-CVEARBPZSA-N 1 0 397.317 1.285 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000638941249 531678258 /nfs/dbraw/zinc/67/82/58/531678258.db2.gz WEENVIRHRKZRKI-MFKMUULPSA-N 1 0 375.288 1.312 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1sc2c(c1Br)CNC2 ZINC000662449758 531679818 /nfs/dbraw/zinc/67/98/18/531679818.db2.gz SXZGIKLUMUBTRA-SNVBAGLBSA-N 1 0 387.347 1.480 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2cccc(I)c2)C1 ZINC000590044648 531679935 /nfs/dbraw/zinc/67/99/35/531679935.db2.gz KLKQDHDTHJKVJA-FZMZJTMJSA-N 1 0 386.233 1.833 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])ccc1Cl ZINC000662439596 531680138 /nfs/dbraw/zinc/68/01/38/531680138.db2.gz DQDZBXDPMLSKQW-OCCSQVGLSA-N 1 0 389.905 1.673 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639028375 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C[NH2+]C[C@@H](C)CNC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417433695 531769763 /nfs/dbraw/zinc/76/97/63/531769763.db2.gz KKELSVSJFPWRMU-GFCCVEGCSA-N 1 0 385.306 1.724 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCCCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000417433904 531770075 /nfs/dbraw/zinc/77/00/75/531770075.db2.gz KOKFHAHBCRZKQP-AWEZNQCLSA-N 1 0 383.290 1.606 20 0 GDADRO C[C@@H]1CN(C(=O)NCCCNC(=O)c2cccc(Br)c2)[C@H](C)C[NH2+]1 ZINC000417434829 531770226 /nfs/dbraw/zinc/77/02/26/531770226.db2.gz MLNOFTHQCIZQSG-CHWSQXEVSA-N 1 0 397.317 1.961 20 0 GDADRO CN(C(=O)NCCCNC(=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000417436655 531771292 /nfs/dbraw/zinc/77/12/92/531771292.db2.gz PEXWQQXOIDCVSL-UHFFFAOYSA-N 1 0 397.317 1.962 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417439769 531771479 /nfs/dbraw/zinc/77/14/79/531771479.db2.gz WQFUYSRLEWZOPG-WFASDCNBSA-N 1 0 397.317 1.866 20 0 GDADRO C[C@@H]1CN(C(=O)NCCc2ccc(I)s2)C[C@H]1[NH3+] ZINC000417440403 531771611 /nfs/dbraw/zinc/77/16/11/531771611.db2.gz 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ZINC000508418344 531775618 /nfs/dbraw/zinc/77/56/18/531775618.db2.gz BKWOYWSUMHUKPJ-GFCCVEGCSA-N 1 0 395.305 1.731 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1Cc2cc(Br)ccc2O1 ZINC000452368677 531775763 /nfs/dbraw/zinc/77/57/63/531775763.db2.gz QUZPHMHPPKGQKL-GOEBONIOSA-N 1 0 383.286 1.716 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1COc2ccc(Br)cc21 ZINC000452376038 531775784 /nfs/dbraw/zinc/77/57/84/531775784.db2.gz YPFVZBFONOXVBZ-DZGCQCFKSA-N 1 0 383.286 1.888 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000641042760 531776338 /nfs/dbraw/zinc/77/63/38/531776338.db2.gz JNOKYMIKOGEMCH-SNVBAGLBSA-N 1 0 378.424 1.531 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)COc2cccc(I)c2)CCO1 ZINC000592308422 531776784 /nfs/dbraw/zinc/77/67/84/531776784.db2.gz MFFHDNCHRJLZGY-MFKMUULPSA-N 1 0 390.221 1.245 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000366773297 531777443 /nfs/dbraw/zinc/77/74/43/531777443.db2.gz NKDIJAYLPIABHE-JQWIXIFHSA-N 1 0 386.265 1.904 20 0 GDADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CCSC1 ZINC000282628303 531777682 /nfs/dbraw/zinc/77/76/82/531777682.db2.gz NZCLFVWMBCPKMK-CQSZACIVSA-N 1 0 377.919 1.155 20 0 GDADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2c(Cl)ccnc2Cl)CC1(C)C ZINC000282628969 531778480 /nfs/dbraw/zinc/77/84/80/531778480.db2.gz SOAXYHMKLMXGGA-UHFFFAOYSA-N 1 0 381.329 1.693 20 0 GDADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000297287518 531778739 /nfs/dbraw/zinc/77/87/39/531778739.db2.gz CNFROINZWIBWTE-BXUZGUMPSA-N 1 0 389.315 1.702 20 0 GDADRO O=C(CC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)Nc1ccc(Br)cc1 ZINC000366789499 531779430 /nfs/dbraw/zinc/77/94/30/531779430.db2.gz PCXBNNRUVLPWIR-KBPBESRZSA-N 1 0 382.258 1.367 20 0 GDADRO Cc1nc(C)c(CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000417556259 531779697 /nfs/dbraw/zinc/77/96/97/531779697.db2.gz NUVRPNZMISQBDU-CYBMUJFWSA-N 1 0 379.452 1.438 20 0 GDADRO COCC(COC)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000641307762 531801038 /nfs/dbraw/zinc/80/10/38/531801038.db2.gz KGQODMABJHPLGI-AWEZNQCLSA-N 1 0 376.544 1.541 20 0 GDADRO O[C@@H](COc1ccc(Br)cc1)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641190818 531784013 /nfs/dbraw/zinc/78/40/13/531784013.db2.gz AAFCCLPEQRAJLO-SWLSCSKDSA-N 1 0 381.274 1.633 20 0 GDADRO Fc1cc(Br)cc(OCCn2cc(CN3CC[NH2+]CC3)nn2)c1 ZINC000641173124 531784039 /nfs/dbraw/zinc/78/40/39/531784039.db2.gz ARJSZOUIRWTCLE-UHFFFAOYSA-N 1 0 384.253 1.664 20 0 GDADRO O=C(Nc1cc(N2CCOCC2)c(Br)cn1)N[C@H]1CCC[NH2+]CC1 ZINC000667671798 531784009 /nfs/dbraw/zinc/78/40/09/531784009.db2.gz TYCUSVNDSWSDKN-LBPRGKRZSA-N 1 0 398.305 1.944 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000417786647 531785322 /nfs/dbraw/zinc/78/53/22/531785322.db2.gz KMPDBPDZEZHBMG-CYBMUJFWSA-N 1 0 388.559 1.502 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(Br)cc3-n3cnnn3)C2)C1 ZINC000622876696 531786258 /nfs/dbraw/zinc/78/62/58/531786258.db2.gz NOLGUPOIGAUROC-INIZCTEOSA-N 1 0 391.273 1.593 20 0 GDADRO CO[C@@H]1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000417880585 531786228 /nfs/dbraw/zinc/78/62/28/531786228.db2.gz DEEHTXPYYHIZNR-NWDGAFQWSA-N 1 0 377.272 1.915 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417905555 531789679 /nfs/dbraw/zinc/78/96/79/531789679.db2.gz CMIQWQJLVIQIEA-ZDUSSCGKSA-N 1 0 399.333 1.940 20 0 GDADRO O=C1CC[C@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C2(CCC2)N1 ZINC000282743425 531789996 /nfs/dbraw/zinc/78/99/96/531789996.db2.gz JKQSGBXVEPESRH-ZDUSSCGKSA-N 1 0 391.273 1.716 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)N(C)Cc1ccccc1Br ZINC000592491564 531790025 /nfs/dbraw/zinc/79/00/25/531790025.db2.gz MVSWSJCBCARUAU-HNNXBMFYSA-N 1 0 398.301 1.244 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc2c(cc1Br)OCCO2 ZINC000592491535 531790075 /nfs/dbraw/zinc/79/00/75/531790075.db2.gz MAAFLJYFINTJRE-ZDUSSCGKSA-N 1 0 385.258 1.557 20 0 GDADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc(Br)c[nH]c1=O ZINC000623018642 531791083 /nfs/dbraw/zinc/79/10/83/531791083.db2.gz QFJHFZUMKOWFNV-UHFFFAOYSA-N 1 0 385.306 1.648 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000417922968 531791121 /nfs/dbraw/zinc/79/11/21/531791121.db2.gz GAEGGUWFFZDYDI-NXEZZACHSA-N 1 0 380.923 1.106 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)C1 ZINC000366914290 531791344 /nfs/dbraw/zinc/79/13/44/531791344.db2.gz WFWLTGZOBPGXCC-OLZOCXBDSA-N 1 0 380.436 1.820 20 0 GDADRO CCCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000417931177 531792611 /nfs/dbraw/zinc/79/26/11/531792611.db2.gz PMQBSCLHDQBQBY-LLVKDONJSA-N 1 0 394.950 1.463 20 0 GDADRO C[C@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC[NH2+]1 ZINC000417925219 531792915 /nfs/dbraw/zinc/79/29/15/531792915.db2.gz JIASEIZDTITVHW-VHSXEESVSA-N 1 0 380.923 1.120 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000417924332 531793437 /nfs/dbraw/zinc/79/34/37/531793437.db2.gz IQYBBLRFNLGVJL-MNOVXSKESA-N 1 0 394.950 1.497 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000562979968 531794780 /nfs/dbraw/zinc/79/47/80/531794780.db2.gz YNOJPAYWBZBNGR-ZNMIVQPWSA-N 1 0 385.555 1.925 20 0 GDADRO C[C@](CO)([NH2+]CCn1nc2ccccn2c1=O)c1ccc(Br)cc1 ZINC000511574455 531795125 /nfs/dbraw/zinc/79/51/25/531795125.db2.gz KHZDEUFBJXBRLQ-QGZVFWFLSA-N 1 0 391.269 1.756 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000418007687 531795602 /nfs/dbraw/zinc/79/56/02/531795602.db2.gz QMRFRWIHJQEJTK-INIZCTEOSA-N 1 0 376.567 1.451 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000417980454 531795733 /nfs/dbraw/zinc/79/57/33/531795733.db2.gz IPVJFIWKHRDMHW-GLQYFDAESA-N 1 0 386.290 1.813 20 0 GDADRO CC(C)[C@]1(C)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000563000422 531796972 /nfs/dbraw/zinc/79/69/72/531796972.db2.gz LVGCJGRDOICYMV-IRXDYDNUSA-N 1 0 388.555 1.735 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N[C@@H](C)CC[NH3+])C2=O)ccc1Br ZINC000418016666 531797454 /nfs/dbraw/zinc/79/74/54/531797454.db2.gz RKCUXYJHQVKFIK-FZMZJTMJSA-N 1 0 383.290 1.899 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ncc(Br)s2)CC1 ZINC000623061406 531797718 /nfs/dbraw/zinc/79/77/18/531797718.db2.gz YAZSDLSZRBZORX-UHFFFAOYSA-N 1 0 389.319 1.626 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)N[C@@H](C)C[NH3+])C2=O)ccc1Br ZINC000418009255 531797918 /nfs/dbraw/zinc/79/79/18/531797918.db2.gz HXUPGKVBSODKEM-FZMZJTMJSA-N 1 0 383.290 1.899 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)C1 ZINC000418027313 531799815 /nfs/dbraw/zinc/79/98/15/531799815.db2.gz XBGDAKOQCGUIHD-ZDUSSCGKSA-N 1 0 380.290 1.951 20 0 GDADRO Cc1cccc(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1Br ZINC000418054350 531800185 /nfs/dbraw/zinc/80/01/85/531800185.db2.gz GBMYGEUZUIHFMU-HNNXBMFYSA-N 1 0 381.318 1.947 20 0 GDADRO C[C@@H]1CCN(C(=O)NCc2nn(C)cc2I)[C@@H](C[NH3+])C1 ZINC000418244566 531818693 /nfs/dbraw/zinc/81/86/93/531818693.db2.gz AYOZFNKHGPUHTP-NXEZZACHSA-N 1 0 391.257 1.294 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000668686235 531804294 /nfs/dbraw/zinc/80/42/94/531804294.db2.gz MCJURMIKJGUVDW-QWHCGFSZSA-N 1 0 386.543 1.317 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC[NH2+]1 ZINC000418137458 531804766 /nfs/dbraw/zinc/80/47/66/531804766.db2.gz DCQQCLJDNGQQBG-STQMWFEESA-N 1 0 388.921 1.448 20 0 GDADRO CCCN(C(=O)c1c(I)cnn1C)[C@H]1CC[N@H+](C)C1 ZINC000592829763 531805260 /nfs/dbraw/zinc/80/52/60/531805260.db2.gz YGVHRYJUFGYLJG-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000514790607 531806034 /nfs/dbraw/zinc/80/60/34/531806034.db2.gz GEDIBQRDUTVGAG-AWEZNQCLSA-N 1 0 385.555 1.676 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)NCCOc1ccc(I)cc1 ZINC000418154935 531806964 /nfs/dbraw/zinc/80/69/64/531806964.db2.gz KUXMUDOBTVJRJK-JTQLQIEISA-N 1 0 377.226 1.564 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)NCCOc1ccc(I)cc1 ZINC000418151186 531807268 /nfs/dbraw/zinc/80/72/68/531807268.db2.gz FDWONIYAPCRPQP-LLVKDONJSA-N 1 0 391.253 1.967 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC ZINC000282888363 531807354 /nfs/dbraw/zinc/80/73/54/531807354.db2.gz SBWPJBLREJJTFG-UHFFFAOYSA-N 1 0 378.516 1.109 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669072225 531808120 /nfs/dbraw/zinc/80/81/20/531808120.db2.gz UQCJEYCFTVBHFJ-WFASDCNBSA-N 1 0 386.905 1.012 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)NCC(=O)Nc1ccc(I)cc1 ZINC000418166887 531810501 /nfs/dbraw/zinc/81/05/01/531810501.db2.gz KETXDQOHYJTTDU-VIFPVBQESA-N 1 0 390.225 1.266 20 0 GDADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000453246353 531811782 /nfs/dbraw/zinc/81/17/82/531811782.db2.gz IZIGFZYXIYLJPM-STQMWFEESA-N 1 0 377.304 1.556 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000418173596 531812280 /nfs/dbraw/zinc/81/22/80/531812280.db2.gz YUFMRLHCTRKAHY-SNVBAGLBSA-N 1 0 395.312 1.404 20 0 GDADRO Cc1ncc(S(=O)(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000269953155 531812494 /nfs/dbraw/zinc/81/24/94/531812494.db2.gz HPQZGJFVFPPPOP-UHFFFAOYSA-N 1 0 382.511 1.221 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1Cl ZINC000515801090 531813410 /nfs/dbraw/zinc/81/34/10/531813410.db2.gz KFVFFSGDYCVPNZ-HOTGVXAUSA-N 1 0 387.933 1.720 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](C)Oc2ccccc2Br)CCO1 ZINC000669518090 531814027 /nfs/dbraw/zinc/81/40/27/531814027.db2.gz DBZSWLGYJJJCBJ-LALPHHSUSA-N 1 0 386.290 1.974 20 0 GDADRO CC1(C)[C@H](CS(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1(F)F ZINC000641385211 531814349 /nfs/dbraw/zinc/81/43/49/531814349.db2.gz MSUHLQZRLLQQIO-KFWWJZLASA-N 1 0 380.501 1.965 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418183300 531814840 /nfs/dbraw/zinc/81/48/40/531814840.db2.gz LNNMRZFTUDPZLS-TZMCWYRMSA-N 1 0 388.921 1.224 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000418193665 531815332 /nfs/dbraw/zinc/81/53/32/531815332.db2.gz 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387.571 1.872 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCCOc3ccc(Cl)cc3Cl)CCN2C1=O ZINC000563439321 531843606 /nfs/dbraw/zinc/84/36/06/531843606.db2.gz UJUFUFOTJPAGPU-JSGCOSHPSA-N 1 0 386.279 1.923 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)C1 ZINC000418811388 531844065 /nfs/dbraw/zinc/84/40/65/531844065.db2.gz PXJMTAMLPVABHD-GMTAPVOTSA-N 1 0 386.315 1.551 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1F ZINC000563450169 531844496 /nfs/dbraw/zinc/84/44/96/531844496.db2.gz VMAMPZMDSAKDJH-MRVPVSSYSA-N 1 0 393.200 1.612 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000624409854 531845057 /nfs/dbraw/zinc/84/50/57/531845057.db2.gz VJZADFYRSCGROS-UHFFFAOYSA-N 1 0 385.255 1.193 20 0 GDADRO CCCOc1ccc(Br)cc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000624409233 531845115 /nfs/dbraw/zinc/84/51/15/531845115.db2.gz XQTRZPXSMYTGIG-UHFFFAOYSA-N 1 0 395.319 1.834 20 0 GDADRO CCC[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000643059042 531866033 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C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)[C@@H](C)C[NH2+]1 ZINC000418852951 531856163 /nfs/dbraw/zinc/85/61/63/531856163.db2.gz WIWLSOGKIDEWOZ-MNOVXSKESA-N 1 0 386.265 1.456 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)s1 ZINC000298138930 531856256 /nfs/dbraw/zinc/85/62/56/531856256.db2.gz AJAIWFFNDIKRFF-ZDUSSCGKSA-N 1 0 389.543 1.188 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418858254 531856306 /nfs/dbraw/zinc/85/63/06/531856306.db2.gz VLKHGBVLEAVGEV-CABCVRRESA-N 1 0 380.286 1.727 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000418856221 531856440 /nfs/dbraw/zinc/85/64/40/531856440.db2.gz OQLHARDWBWEKIJ-SMDDNHRTSA-N 1 0 398.301 1.603 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418861268 531857442 /nfs/dbraw/zinc/85/74/42/531857442.db2.gz GEJQCJUTPCMARS-ZDUSSCGKSA-N 1 0 397.317 1.212 20 0 GDADRO C[C@H](c1ncc(Br)cn1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000367736619 531859043 /nfs/dbraw/zinc/85/90/43/531859043.db2.gz HCDAOXAETAKSGI-OCCSQVGLSA-N 1 0 382.306 1.539 20 0 GDADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418880845 531859921 /nfs/dbraw/zinc/85/99/21/531859921.db2.gz FYZFSGBLSIVPNV-UFBFGSQYSA-N 1 0 386.221 1.006 20 0 GDADRO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000642518786 531860645 /nfs/dbraw/zinc/86/06/45/531860645.db2.gz YFUJCENUXPMKIM-MRXNPFEDSA-N 1 0 389.543 1.123 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1Br ZINC000563672697 531860771 /nfs/dbraw/zinc/86/07/71/531860771.db2.gz LSCZJLZKEYFOAH-VIFPVBQESA-N 1 0 383.695 1.759 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642687305 531861250 /nfs/dbraw/zinc/86/12/50/531861250.db2.gz GFKMBGOPENHXOG-SMDDNHRTSA-N 1 0 396.285 1.284 20 0 GDADRO O=C(N[C@H]1CSc2ccc(Br)cc21)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642700498 531861803 /nfs/dbraw/zinc/86/18/03/531861803.db2.gz QQVQDOPBTFEXNO-AAEUAGOBSA-N 1 0 398.326 1.970 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2cc(Br)ccc2F)[C@H](C)C[NH2+]1 ZINC000418916973 531863247 /nfs/dbraw/zinc/86/32/47/531863247.db2.gz AGQZTFBQHGRHQC-GHMZBOCLSA-N 1 0 386.265 1.456 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000642742782 531863434 /nfs/dbraw/zinc/86/34/34/531863434.db2.gz UXIBCUARVHJOHO-UHFFFAOYSA-N 1 0 394.313 1.937 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2cc(Br)ccc2F)CC[C@@H]1[NH3+] ZINC000418922517 531863419 /nfs/dbraw/zinc/86/34/19/531863419.db2.gz KYONVTWXSNJTMO-YGRLFVJLSA-N 1 0 386.265 1.443 20 0 GDADRO Cc1ccc(OC[C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)c(C)c1 ZINC000563806347 531863468 /nfs/dbraw/zinc/86/34/68/531863468.db2.gz RMWQRIHTEQABFF-HNNXBMFYSA-N 1 0 384.523 1.673 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000563809597 531864087 /nfs/dbraw/zinc/86/40/87/531864087.db2.gz JGYFEZNODPTLAO-YMTOWFKASA-N 1 0 389.315 1.889 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)C[C@@H]1C[NH3+] ZINC000418929604 531864513 /nfs/dbraw/zinc/86/45/13/531864513.db2.gz FQQJLGRUULTTDQ-PWSUYJOCSA-N 1 0 386.265 1.648 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418929454 531864621 /nfs/dbraw/zinc/86/46/21/531864621.db2.gz ADKCVLRPJJBPJR-RISCZKNCSA-N 1 0 384.274 1.058 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000367798398 531864822 /nfs/dbraw/zinc/86/48/22/531864822.db2.gz QOLQAMSAJHUUHZ-CABZTGNLSA-N 1 0 393.278 1.969 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000270441886 531869224 /nfs/dbraw/zinc/86/92/24/531869224.db2.gz RQROYWDWLIHUMJ-ZDUSSCGKSA-N 1 0 393.289 1.005 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418924845 531865319 /nfs/dbraw/zinc/86/53/19/531865319.db2.gz QFQXYWCIVOODEP-LLVKDONJSA-N 1 0 386.265 1.315 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c1cccs1)c1ccsc1 ZINC000298267021 531870905 /nfs/dbraw/zinc/87/09/05/531870905.db2.gz ACRVGAGLNPPKMM-ZDUSSCGKSA-N 1 0 387.552 1.897 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccccc2I)CC[C@H]1F ZINC000595241539 531871502 /nfs/dbraw/zinc/87/15/02/531871502.db2.gz ABQBZVSUBOMZBU-PSASIEDQSA-N 1 0 391.184 1.127 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418957020 531872095 /nfs/dbraw/zinc/87/20/95/531872095.db2.gz DDVJTDBGPZUCBB-GFCCVEGCSA-N 1 0 387.267 1.022 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418953368 531872361 /nfs/dbraw/zinc/87/23/61/531872361.db2.gz RQGUCBHXCFOHMO-ZDUSSCGKSA-N 1 0 398.301 1.450 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418954381 531872414 /nfs/dbraw/zinc/87/24/14/531872414.db2.gz SWWDGJNBZWZOET-GFCCVEGCSA-N 1 0 384.274 1.060 20 0 GDADRO O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418952469 531872692 /nfs/dbraw/zinc/87/26/92/531872692.db2.gz VLKAPBODJVLKJK-HUUCEWRRSA-N 1 0 380.286 1.885 20 0 GDADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418969432 531873354 /nfs/dbraw/zinc/87/33/54/531873354.db2.gz JACMOQUKPBINHK-MWLCHTKSSA-N 1 0 394.273 1.185 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1Br ZINC000595249329 531873445 /nfs/dbraw/zinc/87/34/45/531873445.db2.gz NHQFEQILZYXLTB-UHFFFAOYSA-N 1 0 396.241 1.124 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C)c(F)c2F)CC1 ZINC000625016606 531874524 /nfs/dbraw/zinc/87/45/24/531874524.db2.gz CHYBPRWOYNMUOH-ZDUSSCGKSA-N 1 0 375.485 1.825 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000283565508 531876364 /nfs/dbraw/zinc/87/63/64/531876364.db2.gz ZMTKNJXFMHKDLS-SECBINFHSA-N 1 0 378.292 1.037 20 0 GDADRO CC1(C)C[NH2+][C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000644052885 531877183 /nfs/dbraw/zinc/87/71/83/531877183.db2.gz OIFQURINYUDGRU-AWEZNQCLSA-N 1 0 380.286 1.732 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1Br ZINC000419005108 531878141 /nfs/dbraw/zinc/87/81/41/531878141.db2.gz FOKDKLMTCFJIOE-WOPDTQHZSA-N 1 0 398.301 1.831 20 0 GDADRO CCOC1(CS(=O)(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000625053463 531878295 /nfs/dbraw/zinc/87/82/95/531878295.db2.gz YVRXFXTVDDYXJW-BRWVUGGUSA-N 1 0 376.563 1.858 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000419002888 531878962 /nfs/dbraw/zinc/87/89/62/531878962.db2.gz ZRFPLUYZTNXRRY-BXUZGUMPSA-N 1 0 398.301 1.337 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419016514 531880239 /nfs/dbraw/zinc/88/02/39/531880239.db2.gz DNZZLQAMSBSJJW-CYBMUJFWSA-N 1 0 382.302 1.708 20 0 GDADRO C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[NH+](C)C ZINC000298372844 531880977 /nfs/dbraw/zinc/88/09/77/531880977.db2.gz VXPQXBMLYZJWQR-LBPRGKRZSA-N 1 0 389.905 1.041 20 0 GDADRO O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566102347 531880941 /nfs/dbraw/zinc/88/09/41/531880941.db2.gz JPINFIVFTFALSV-RHSMWYFYSA-N 1 0 383.539 1.503 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419021406 531881795 /nfs/dbraw/zinc/88/17/95/531881795.db2.gz MAVISZFDAFBIMS-TZMCWYRMSA-N 1 0 396.285 1.599 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000673627331 531881895 /nfs/dbraw/zinc/88/18/95/531881895.db2.gz JXNLFFXHWQVBDX-CYBMUJFWSA-N 1 0 379.448 1.933 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419021451 531881998 /nfs/dbraw/zinc/88/19/98/531881998.db2.gz MINAOZHTWBSFSX-GFCCVEGCSA-N 1 0 382.302 1.836 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419019565 531882090 /nfs/dbraw/zinc/88/20/90/531882090.db2.gz JLCOFOJEMPOYFW-MFKMUULPSA-N 1 0 384.274 1.503 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000283645934 531882510 /nfs/dbraw/zinc/88/25/10/531882510.db2.gz UYDMRJMECKKCMJ-CQSZACIVSA-N 1 0 382.302 1.866 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419029579 531883311 /nfs/dbraw/zinc/88/33/11/531883311.db2.gz YMPOWFDRRATUIO-AAEUAGOBSA-N 1 0 382.258 1.257 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419030036 531884154 /nfs/dbraw/zinc/88/41/54/531884154.db2.gz ZSDODDZVZPVWMP-AEGPPILISA-N 1 0 394.313 1.564 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1cc(F)cc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000418946825 531870127 /nfs/dbraw/zinc/87/01/27/531870127.db2.gz OVCTUOINTJYYDB-CMPLNLGQSA-N 1 0 386.265 1.709 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418947496 531870146 /nfs/dbraw/zinc/87/01/46/531870146.db2.gz SGPGPYFWQKUUPQ-ABAIWWIYSA-N 1 0 380.286 1.668 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CC[NH2+]1 ZINC000419046978 531891179 /nfs/dbraw/zinc/89/11/79/531891179.db2.gz ZHBAFRWQQUEYFT-SUNKGSAMSA-N 1 0 396.285 1.646 20 0 GDADRO CC[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC[C@@H]1[NH3+] ZINC000647004408 531892565 /nfs/dbraw/zinc/89/25/65/531892565.db2.gz KTRSVAKVALOYDP-QLFBSQMISA-N 1 0 385.555 1.795 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419052438 531892853 /nfs/dbraw/zinc/89/28/53/531892853.db2.gz HYPMWRKDFCUKJW-GFCCVEGCSA-N 1 0 382.302 1.694 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419052444 531892939 /nfs/dbraw/zinc/89/29/39/531892939.db2.gz HZHJRPCLTHPCJF-JTQLQIEISA-N 1 0 388.693 1.787 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CCO1 ZINC000647877326 531899582 /nfs/dbraw/zinc/89/95/82/531899582.db2.gz NYPFOCAVANNUAU-PSLIRLAXSA-N 1 0 380.242 1.479 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](N)c3ccccc3Br)C2)CC1 ZINC000595930400 531893790 /nfs/dbraw/zinc/89/37/90/531893790.db2.gz VTZCNMDOLSGBSQ-WMLDXEAASA-N 1 0 395.345 1.687 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)cc1Br ZINC000647272236 531894699 /nfs/dbraw/zinc/89/46/99/531894699.db2.gz FSMLPEQSIKBEOR-AOOOYVTPSA-N 1 0 376.276 1.484 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)CC[NH2+]1 ZINC000419057114 531894929 /nfs/dbraw/zinc/89/49/29/531894929.db2.gz TUKVQGQLFSDUHD-GXSJLCMTSA-N 1 0 388.693 1.975 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000270570222 531895044 /nfs/dbraw/zinc/89/50/44/531895044.db2.gz GUCJODIPPUPRJD-OLZOCXBDSA-N 1 0 375.853 1.483 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419056332 531895288 /nfs/dbraw/zinc/89/52/88/531895288.db2.gz QPWOYXKCPZMKEK-ZJUUUORDSA-N 1 0 388.693 1.914 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000567569907 531896156 /nfs/dbraw/zinc/89/61/56/531896156.db2.gz NLVXQKHTABEBDG-GFCCVEGCSA-N 1 0 398.305 1.883 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419060773 531896412 /nfs/dbraw/zinc/89/64/12/531896412.db2.gz ZZEZMGGRBQCMSB-LLVKDONJSA-N 1 0 388.693 1.929 20 0 GDADRO O=C(COc1ccc(F)cc1Br)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707155 531896546 /nfs/dbraw/zinc/89/65/46/531896546.db2.gz XBZUYUWMEKYBIJ-STQMWFEESA-N 1 0 387.249 1.635 20 0 GDADRO O=C(NCc1cc(Cl)cc(Br)c1)C(=O)NCC1=CC[NH2+]CC1 ZINC000419067044 531896722 /nfs/dbraw/zinc/89/67/22/531896722.db2.gz KPCWFUYWKILIFV-UHFFFAOYSA-N 1 0 386.677 1.755 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)Cc2cccc(I)c2)nn1C ZINC000595962051 531899654 /nfs/dbraw/zinc/89/96/54/531899654.db2.gz OIBUCJWPNKPNHR-UHFFFAOYSA-N 1 0 384.221 1.973 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000283810387 531898859 /nfs/dbraw/zinc/89/88/59/531898859.db2.gz XHSLKXKWAJGYBB-LLVKDONJSA-N 1 0 381.420 1.440 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419037577 531886155 /nfs/dbraw/zinc/88/61/55/531886155.db2.gz IPDQIBOCPZVZLM-FZMZJTMJSA-N 1 0 396.285 1.457 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)c1sccc1S(=O)(=O)N1CCCCC1)C2 ZINC000646020383 531887571 /nfs/dbraw/zinc/88/75/71/531887571.db2.gz GBQZHUVAZMZIBG-UHFFFAOYSA-N 1 0 383.539 1.700 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419042768 531888068 /nfs/dbraw/zinc/88/80/68/531888068.db2.gz MDJIEUZWTSICDQ-UTLUCORTSA-N 1 0 378.420 1.925 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)[C@@H](C)C[NH2+]1 ZINC000419045023 531889398 /nfs/dbraw/zinc/88/93/98/531889398.db2.gz VLXNDQKFHAIZEL-UHIISALHSA-N 1 0 396.285 1.598 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419046813 531889835 /nfs/dbraw/zinc/88/98/35/531889835.db2.gz ZFEHOKDBKLJAST-CHWSQXEVSA-N 1 0 384.274 1.488 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000298452215 531890565 /nfs/dbraw/zinc/89/05/65/531890565.db2.gz SMJRHBLQRRKKLW-UHFFFAOYSA-N 1 0 389.543 1.231 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419048814 531890934 /nfs/dbraw/zinc/89/09/34/531890934.db2.gz AUGWLIRFCPNEQQ-AWEZNQCLSA-N 1 0 382.302 1.708 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000368361279 531905100 /nfs/dbraw/zinc/90/51/00/531905100.db2.gz KOUIXJVRBRSGOD-MSRIBSCDSA-N 1 0 390.292 1.382 20 0 GDADRO O=C(NCc1cc(F)ccc1Br)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419158410 531905657 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Cc1cccc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)c1Br ZINC000419166801 531908320 /nfs/dbraw/zinc/90/83/20/531908320.db2.gz PRNKGPOTNSVGDD-AAEUAGOBSA-N 1 0 398.301 1.603 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000648140172 531908916 /nfs/dbraw/zinc/90/89/16/531908916.db2.gz GWNBXALNXZXMTQ-ZDUSSCGKSA-N 1 0 387.299 1.481 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419194157 531912313 /nfs/dbraw/zinc/91/23/13/531912313.db2.gz SFNFTBLMNHYJKU-IIAWOOMASA-N 1 0 394.313 1.612 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419202754 531913048 /nfs/dbraw/zinc/91/30/48/531913048.db2.gz GYYLNOWUHSXWEB-NEPJUHHUSA-N 1 0 398.301 1.578 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1nccn2c(Br)cnc12 ZINC000298698510 531913286 /nfs/dbraw/zinc/91/32/86/531913286.db2.gz VLJBBUHCYVRKBU-NSHDSACASA-N 1 0 382.262 1.068 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1ccccc1Br ZINC000419204581 531913529 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CNC(=O)c1cccc(NC(=O)N(C)CCOCC[NH2+]C)c1Br ZINC000625888040 531917951 /nfs/dbraw/zinc/91/79/51/531917951.db2.gz JLJXQIMTWQTZRX-UHFFFAOYSA-N 1 0 387.278 1.508 20 0 GDADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000678035780 531918097 /nfs/dbraw/zinc/91/80/97/531918097.db2.gz BMVLMWXGGGEGMZ-UHFFFAOYSA-N 1 0 377.894 1.166 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cn1 ZINC000283991923 531918540 /nfs/dbraw/zinc/91/85/40/531918540.db2.gz NDJOACYEQHFQRC-LLVKDONJSA-N 1 0 395.301 1.764 20 0 GDADRO CCCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000649004652 531918694 /nfs/dbraw/zinc/91/86/94/531918694.db2.gz DLCOHGRWWFPQRJ-OAHLLOKOSA-N 1 0 387.933 1.903 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000419264295 531918994 /nfs/dbraw/zinc/91/89/94/531918994.db2.gz XJBBEJVPQSESAZ-QWHCGFSZSA-N 1 0 398.301 1.530 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419349319 531926947 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CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000626166300 531925055 /nfs/dbraw/zinc/92/50/55/531925055.db2.gz SEBLWUBWKVLXPA-CYBMUJFWSA-N 1 0 376.425 1.812 20 0 GDADRO COCC1(CNC(=O)CN2C(=S)N=NC2c2cccs2)CC[NH2+]CC1 ZINC000284058584 531925060 /nfs/dbraw/zinc/92/50/60/531925060.db2.gz UATVVKBMOBUJJZ-UHFFFAOYSA-N 1 0 381.527 1.428 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000419208601 531914816 /nfs/dbraw/zinc/91/48/16/531914816.db2.gz RHIVLCAJHCNNGK-FZMZJTMJSA-N 1 0 398.301 1.660 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000568730794 531914902 /nfs/dbraw/zinc/91/49/02/531914902.db2.gz LWZSJTJYNOJWJH-HNNXBMFYSA-N 1 0 399.333 1.675 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000648826128 531915070 /nfs/dbraw/zinc/91/50/70/531915070.db2.gz YWTDZGIDLQXPOH-NSHDSACASA-N 1 0 380.242 1.811 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419209608 531915273 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COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419359768 531930147 /nfs/dbraw/zinc/93/01/47/531930147.db2.gz QXZFVGXJGJUIPY-GWCFXTLKSA-N 1 0 384.274 1.188 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@H]1CCC[NH2+]CC1 ZINC000368704208 531930882 /nfs/dbraw/zinc/93/08/82/531930882.db2.gz OFJPRPRGSRLCLQ-LBPRGKRZSA-N 1 0 382.258 1.433 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000419408268 531932218 /nfs/dbraw/zinc/93/22/18/531932218.db2.gz LRBWVHADTXBSQB-LBPRGKRZSA-N 1 0 384.274 1.229 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@@H]1O ZINC000570105412 531933633 /nfs/dbraw/zinc/93/36/33/531933633.db2.gz YMICNISXTDDDCC-CQDKDKBSSA-N 1 0 386.279 1.480 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000570082745 531934140 /nfs/dbraw/zinc/93/41/40/531934140.db2.gz UMSJXNULSYLGQK-QWHCGFSZSA-N 1 0 396.278 1.495 20 0 GDADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000419475389 531934483 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CC1(C)CN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)CC[NH2+]1 ZINC000419584266 531937879 /nfs/dbraw/zinc/93/78/79/531937879.db2.gz IRTYFCDAIWBBKY-AWEZNQCLSA-N 1 0 380.286 1.763 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626841813 531937946 /nfs/dbraw/zinc/93/79/46/531937946.db2.gz DKYUEQLWZFRKLO-UHFFFAOYSA-N 1 0 390.281 1.777 20 0 GDADRO O=C(N[C@@H]1CCc2c1cccc2Br)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419585952 531937993 /nfs/dbraw/zinc/93/79/93/531937993.db2.gz LABYYZINMMOWMD-KMUNFCNLSA-N 1 0 378.270 1.373 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000626859577 531938618 /nfs/dbraw/zinc/93/86/18/531938618.db2.gz UEJRGJYKUJYBKB-UHFFFAOYSA-N 1 0 384.274 1.574 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000626863073 531938664 /nfs/dbraw/zinc/93/86/64/531938664.db2.gz YHLQEGKWAVTEMA-DTWKUNHWSA-N 1 0 376.201 1.923 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H]3CC[N@@H+](C)C3)C2)s1 ZINC000369036415 531938920 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GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627394067 531951667 /nfs/dbraw/zinc/95/16/67/531951667.db2.gz WBQUAKSFBYRXTM-OUJBWJOFSA-N 1 0 384.274 1.502 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCOCCC[NH3+] ZINC000626921049 531941940 /nfs/dbraw/zinc/94/19/40/531941940.db2.gz HFAVULJWHSDELO-UHFFFAOYSA-N 1 0 387.278 1.361 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419620104 531942873 /nfs/dbraw/zinc/94/28/73/531942873.db2.gz DQIDEVZSAANGQD-GLQYFDAESA-N 1 0 398.301 1.510 20 0 GDADRO C[C@@H](NC(=O)NCCN1CC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000627066049 531943476 /nfs/dbraw/zinc/94/34/76/531943476.db2.gz NUGHZTLZMWQPJE-SNVBAGLBSA-N 1 0 391.260 1.993 20 0 GDADRO C[C@H](NC(=O)NCCN1CC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000627066048 531943765 /nfs/dbraw/zinc/94/37/65/531943765.db2.gz NUGHZTLZMWQPJE-JTQLQIEISA-N 1 0 391.260 1.993 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)Oc1ccccc1Br ZINC000419622316 531943986 /nfs/dbraw/zinc/94/39/86/531943986.db2.gz SQICLEMDFYNTDU-SCRDCRAPSA-N 1 0 398.301 1.447 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C[C@@H]1[NH+](C)C ZINC000270933641 531944828 /nfs/dbraw/zinc/94/48/28/531944828.db2.gz DCVPYZIDNXVPHK-KBPBESRZSA-N 1 0 386.930 1.949 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000419624519 531945578 /nfs/dbraw/zinc/94/55/78/531945578.db2.gz IOIDFGHMAKASFD-GVARAGBVSA-N 1 0 398.301 1.447 20 0 GDADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)NC[C@@H]1COCC[NH2+]1 ZINC000627184907 531946300 /nfs/dbraw/zinc/94/63/00/531946300.db2.gz DMNHKFCLBPRRQX-GHMZBOCLSA-N 1 0 378.256 1.021 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2sc(C)cc2Br)C[C@H]1C[NH3+] ZINC000652379675 531946584 /nfs/dbraw/zinc/94/65/84/531946584.db2.gz CVSZJEAQJIIOMF-MWLCHTKSSA-N 1 0 383.333 1.803 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC2(C[NH3+])CC2)cc1F ZINC000652378800 531946707 /nfs/dbraw/zinc/94/67/07/531946707.db2.gz FKXSXICEQPGAJF-UHFFFAOYSA-N 1 0 393.506 1.385 20 0 GDADRO CN(C)[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000284310369 531947212 /nfs/dbraw/zinc/94/72/12/531947212.db2.gz ZBRLULQJCBRYIY-PBHICJAKSA-N 1 0 384.571 1.021 20 0 GDADRO COc1cc(Br)c(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1OC ZINC000571071383 531949122 /nfs/dbraw/zinc/94/91/22/531949122.db2.gz CDXYBVRDVWJTTP-LLVKDONJSA-N 1 0 382.262 1.948 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C[NH2+]1 ZINC000627312268 531949474 /nfs/dbraw/zinc/94/94/74/531949474.db2.gz VCDBILJBWLDJTB-SCDSUCTJSA-N 1 0 396.285 1.646 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000627314598 531949835 /nfs/dbraw/zinc/94/98/35/531949835.db2.gz HTXIFUOEIUSJBM-VHSXEESVSA-N 1 0 378.420 1.796 20 0 GDADRO CN(CC(=O)N[C@H]1C[NH2+]CCC1(F)F)S(=O)(=O)c1ccc(Cl)s1 ZINC000571081121 531949850 /nfs/dbraw/zinc/94/98/50/531949850.db2.gz IRXPVUQXUAYYDK-QMMMGPOBSA-N 1 0 387.861 1.135 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000627394191 531950844 /nfs/dbraw/zinc/95/08/44/531950844.db2.gz ZOCCBJNMTAGXSI-ZIBATOQPSA-N 1 0 385.295 1.555 20 0 GDADRO O=C(CCN1CCCS1(=O)=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000369229042 531951049 /nfs/dbraw/zinc/95/10/49/531951049.db2.gz IANPMVYMYYDBSP-UHFFFAOYSA-N 1 0 389.587 1.280 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419594436 531940269 /nfs/dbraw/zinc/94/02/69/531940269.db2.gz ZOHZUXUANRDQHI-VCTAVGKDSA-N 1 0 380.286 1.667 20 0 GDADRO O=C(CCN1C(=O)COc2cc(Br)ccc21)NCC1CC[NH2+]CC1 ZINC000572148612 531960338 /nfs/dbraw/zinc/96/03/38/531960338.db2.gz OVZVDBWYPYWZDC-UHFFFAOYSA-N 1 0 396.285 1.680 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCSC[C@H]2c2nccs2)CCCC1 ZINC000284463501 531961606 /nfs/dbraw/zinc/96/16/06/531961606.db2.gz QQDCLYPNCGZGFX-ZDUSSCGKSA-N 1 0 382.555 1.750 20 0 GDADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419725270 531962560 /nfs/dbraw/zinc/96/25/60/531962560.db2.gz IDUDGWQFKBZSKF-PXAZEXFGSA-N 1 0 384.263 1.755 20 0 GDADRO CN(C)c1ncc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)n1C ZINC000419732193 531963133 /nfs/dbraw/zinc/96/31/33/531963133.db2.gz SBFJPBYZLJMTKT-UHFFFAOYSA-N 1 0 385.921 1.598 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000419734549 531963530 /nfs/dbraw/zinc/96/35/30/531963530.db2.gz VCGPUFYXRAJXHF-CABZTGNLSA-N 1 0 388.251 1.038 20 0 GDADRO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419729136 531963843 /nfs/dbraw/zinc/96/38/43/531963843.db2.gz NVKOSNFXNPMOPB-QYMPCTKHSA-N 1 0 384.263 1.942 20 0 GDADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)C(=O)NC1CC[NH2+]CC1 ZINC000419673817 531952522 /nfs/dbraw/zinc/95/25/22/531952522.db2.gz JCXJPOLTRLRJEX-UHFFFAOYSA-N 1 0 379.258 1.415 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000627456000 531952730 /nfs/dbraw/zinc/95/27/30/531952730.db2.gz UTRYHRPFMKWBHY-QWRGUYRKSA-N 1 0 399.289 1.055 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)C[NH2+]1 ZINC000627477136 531953506 /nfs/dbraw/zinc/95/35/06/531953506.db2.gz RIWRGBWIKFLYEE-ABAIWWIYSA-N 1 0 380.286 1.591 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419681078 531953666 /nfs/dbraw/zinc/95/36/66/531953666.db2.gz TUKJDKUNKMGCGL-ZUZCIYMTSA-N 1 0 393.285 1.661 20 0 GDADRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419677844 531953693 /nfs/dbraw/zinc/95/36/93/531953693.db2.gz CXTOSIKDHDGSGJ-OLZOCXBDSA-N 1 0 393.303 1.380 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419678125 531953950 /nfs/dbraw/zinc/95/39/50/531953950.db2.gz PARGIQSQVKMDPR-MNOVXSKESA-N 1 0 396.285 1.196 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000627473502 531954300 /nfs/dbraw/zinc/95/43/00/531954300.db2.gz OIQRALKRELFQGQ-IUODEOHRSA-N 1 0 386.279 1.762 20 0 GDADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419754636 531965220 /nfs/dbraw/zinc/96/52/20/531965220.db2.gz PEIRABDZMHDTDG-UONOGXRCSA-N 1 0 388.295 1.535 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419757906 531966478 /nfs/dbraw/zinc/96/64/78/531966478.db2.gz JLJARXFXIPOXTL-NEPJUHHUSA-N 1 0 387.311 1.660 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419776316 531967521 /nfs/dbraw/zinc/96/75/21/531967521.db2.gz KDRMWFRVLCHPJP-BMIGLBTASA-N 1 0 398.276 1.976 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2OC)C1 ZINC000419779900 531967985 /nfs/dbraw/zinc/96/79/85/531967985.db2.gz NSDYORAWEJDZFQ-CMPLNLGQSA-N 1 0 384.274 1.455 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419778814 531968012 /nfs/dbraw/zinc/96/80/12/531968012.db2.gz MQXLXZFJPCFHSV-NSHDSACASA-N 1 0 396.285 1.671 20 0 GDADRO CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000655471030 531968475 /nfs/dbraw/zinc/96/84/75/531968475.db2.gz DBLNSZNEYYFRNZ-GRDNDAEWSA-N 1 0 380.286 1.824 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)cc1Br ZINC000419797504 531970188 /nfs/dbraw/zinc/97/01/88/531970188.db2.gz TYXZMPIGQBXYSX-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO O=C(NCc1nccs1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000284574315 531971064 /nfs/dbraw/zinc/97/10/64/531971064.db2.gz YWWXNTUHCFUCNT-ZDUSSCGKSA-N 1 0 378.523 1.849 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000271130283 531971127 /nfs/dbraw/zinc/97/11/27/531971127.db2.gz RVFKYSZUVGTTMM-OLZOCXBDSA-N 1 0 389.905 1.355 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](CO)[C@@H](C)O)CC1 ZINC000419796749 531971390 /nfs/dbraw/zinc/97/13/90/531971390.db2.gz PZCMADJISUBRAU-MLGOLLRUSA-N 1 0 385.302 1.693 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419811039 531971875 /nfs/dbraw/zinc/97/18/75/531971875.db2.gz IRORQBSKWCDQHT-WFASDCNBSA-N 1 0 396.329 1.957 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](C)[NH+](C)C ZINC000299261364 531972563 /nfs/dbraw/zinc/97/25/63/531972563.db2.gz PMFOZQFMLNLRQP-TZMCWYRMSA-N 1 0 391.534 1.292 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419819633 531973614 /nfs/dbraw/zinc/97/36/14/531973614.db2.gz NCABWSSXWIIFRU-GFCCVEGCSA-N 1 0 382.302 1.663 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419822944 531973685 /nfs/dbraw/zinc/97/36/85/531973685.db2.gz OMHLSPGGGAEOGM-GFCCVEGCSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419824236 531973725 /nfs/dbraw/zinc/97/37/25/531973725.db2.gz PIDSVPABBWHHPN-NFAWXSAZSA-N 1 0 396.329 1.940 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419825572 531974425 /nfs/dbraw/zinc/97/44/25/531974425.db2.gz QEIWQLXHIKDKLW-MAZHCROVSA-N 1 0 394.313 1.849 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000419826469 531975180 /nfs/dbraw/zinc/97/51/80/531975180.db2.gz ADNGYHIMKDZBDJ-ZDUSSCGKSA-N 1 0 375.416 1.787 20 0 GDADRO 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NS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000372841419 532048261 /nfs/dbraw/zinc/04/82/61/532048261.db2.gz VGOHYKNTJUMACZ-LLVKDONJSA-N 1 0 383.297 1.486 20 0 GDADRO COCC[C@H](C)S(=O)(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000464213433 532054437 /nfs/dbraw/zinc/05/44/37/532054437.db2.gz MTUIHHSTJCTHKH-BBWFWOEESA-N 1 0 376.563 1.953 20 0 GDADRO C[C@@](O)(C[C@@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000634702128 532054131 /nfs/dbraw/zinc/05/41/31/532054131.db2.gz BBHVQUMEGIHTTO-NVXWUHKLSA-N 1 0 385.302 1.681 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000313360293 532057281 /nfs/dbraw/zinc/05/72/81/532057281.db2.gz WSGVDUKCGDBUQC-LLVKDONJSA-N 1 0 379.276 1.196 20 0 GDADRO C[N@H+](CCOc1ccc(Br)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000314505364 532057644 /nfs/dbraw/zinc/05/76/44/532057644.db2.gz FXFNWIOEACJQJM-ZDUSSCGKSA-N 1 0 377.304 1.794 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)O1 ZINC000634709228 532056207 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CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000601339804 532062405 /nfs/dbraw/zinc/06/24/05/532062405.db2.gz HLMCRMNICNFOCS-JKSUJKDBSA-N 1 0 379.517 1.854 20 0 GDADRO Cc1c(Br)cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(=O)n1C ZINC000373085503 532064013 /nfs/dbraw/zinc/06/40/13/532064013.db2.gz BJDNLTQQXWDOQK-CABCVRRESA-N 1 0 398.301 1.127 20 0 GDADRO CC(C)N1CC[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1=O ZINC000579704142 532064301 /nfs/dbraw/zinc/06/43/01/532064301.db2.gz QDAZKTDUYXXCSU-ZFWWWQNUSA-N 1 0 389.265 1.927 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)c1csc(I)c1 ZINC000321417217 532067646 /nfs/dbraw/zinc/06/76/46/532067646.db2.gz KNRTWLCATVJOKP-UHFFFAOYSA-N 1 0 380.251 1.539 20 0 GDADRO O=C(CC[NH2+]C[C@@H](O)COc1cccc(Br)c1)N1CCOCC1 ZINC000322603260 532069093 /nfs/dbraw/zinc/06/90/93/532069093.db2.gz YLCUGCPPDJCSMS-CQSZACIVSA-N 1 0 387.274 1.027 20 0 GDADRO CN(CCN1CC[NH2+]CC1)CC(=O)N(C)Cc1ccccc1Br ZINC000321310250 532068408 /nfs/dbraw/zinc/06/84/08/532068408.db2.gz CUTIMDVTRNHNJZ-UHFFFAOYSA-N 1 0 383.334 1.245 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000285328330 532068753 /nfs/dbraw/zinc/06/87/53/532068753.db2.gz RZKDFSPHMAKFFX-VIFPVBQESA-N 1 0 382.408 1.573 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCCN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000423111226 532071680 /nfs/dbraw/zinc/07/16/80/532071680.db2.gz QGWKCYKESQRZTO-STQMWFEESA-N 1 0 376.320 1.505 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423090156 532071082 /nfs/dbraw/zinc/07/10/82/532071082.db2.gz UQBHQTOLKQNOCK-CYBMUJFWSA-N 1 0 398.301 1.849 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423077958 532071130 /nfs/dbraw/zinc/07/11/30/532071130.db2.gz UWISFFZXTLYLMI-IMJJTQAJSA-N 1 0 394.313 1.993 20 0 GDADRO COCCOc1ccc(F)cc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000469188234 532071582 /nfs/dbraw/zinc/07/15/82/532071582.db2.gz RNHBHCXQMDIWHZ-UKRRQHHQSA-N 1 0 392.518 1.517 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000423224769 532073823 /nfs/dbraw/zinc/07/38/23/532073823.db2.gz CODRYRXNROPMKW-VZJVUDMVSA-N 1 0 398.276 1.742 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)CC[NH2+]1 ZINC000423224823 532073804 /nfs/dbraw/zinc/07/38/04/532073804.db2.gz CUFQKBMCPPGYDA-UHFFFAOYSA-N 1 0 380.286 1.544 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2I)[C@H](C)C1 ZINC000602268262 532073516 /nfs/dbraw/zinc/07/35/16/532073516.db2.gz MLMRQYCRAMZMNO-PWSUYJOCSA-N 1 0 390.269 1.827 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cccc(Br)n2)CCSC1 ZINC000285351442 532072475 /nfs/dbraw/zinc/07/24/75/532072475.db2.gz TZPQCLVRCGTKEF-AWEZNQCLSA-N 1 0 387.303 1.336 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423468318 532075558 /nfs/dbraw/zinc/07/55/58/532075558.db2.gz ZKEDPDSFUQGPJF-QGZVFWFLSA-N 1 0 382.302 1.913 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2F)CC[C@H]1[NH3+] ZINC000423230805 532074058 /nfs/dbraw/zinc/07/40/58/532074058.db2.gz KEUZSCSKYZAEPB-IINYFYTJSA-N 1 0 386.265 1.742 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000423200689 532074151 /nfs/dbraw/zinc/07/41/51/532074151.db2.gz GHUZTVWNKWWYIX-HNNXBMFYSA-N 1 0 398.301 1.417 20 0 GDADRO [NH3+]CCCCn1cc(C(=O)N2CCc3cccc(Br)c3C2)nn1 ZINC000423207181 532074228 /nfs/dbraw/zinc/07/42/28/532074228.db2.gz RJPBYESLHMJDAP-UHFFFAOYSA-N 1 0 378.274 1.978 20 0 GDADRO [NH3+]CC1(CC(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000423222929 532074291 /nfs/dbraw/zinc/07/42/91/532074291.db2.gz DGPQNMCIIXKRAH-UHFFFAOYSA-N 1 0 385.555 1.710 20 0 GDADRO C[C@]1(C(=O)Nc2cc(F)c(I)c(F)c2)C[NH2+]CCO1 ZINC000602450753 532077659 /nfs/dbraw/zinc/07/76/59/532077659.db2.gz XUVNORNPIDLCQD-GFCCVEGCSA-N 1 0 382.148 1.886 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)[C@H](C)C[NH2+]1 ZINC000423637071 532077961 /nfs/dbraw/zinc/07/79/61/532077961.db2.gz SWLBTFCKNOIWBP-CHWSQXEVSA-N 1 0 382.302 1.659 20 0 GDADRO C[S@](=O)C1(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[NH2+]CC1 ZINC000602504473 532078080 /nfs/dbraw/zinc/07/80/80/532078080.db2.gz QSVBVBMTTKIIGU-VDBVYFBLSA-N 1 0 387.908 1.675 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000423647996 532078320 /nfs/dbraw/zinc/07/83/20/532078320.db2.gz IKPDPYUJZUIVFV-OLZOCXBDSA-N 1 0 382.302 1.659 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000423487494 532076010 /nfs/dbraw/zinc/07/60/10/532076010.db2.gz UJLFTSITUJPGHE-JTQLQIEISA-N 1 0 380.436 1.952 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000423495891 532076212 /nfs/dbraw/zinc/07/62/12/532076212.db2.gz DCNLCCWLTGXSNL-KRWDZBQOSA-N 1 0 398.301 1.613 20 0 GDADRO O=C(C(=O)N1CC[NH2+]CC1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000423509353 532076485 /nfs/dbraw/zinc/07/64/85/532076485.db2.gz LYFQIUFKJKDYJI-CQSZACIVSA-N 1 0 384.249 1.684 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cc(OC)ccc2Br)C1 ZINC000423499755 532076744 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GAUBWFCYUMFVRZ-BXUZGUMPSA-N 1 0 382.467 1.384 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423701555 532078933 /nfs/dbraw/zinc/07/89/33/532078933.db2.gz WXDLHZZBNNHODP-ZJUUUORDSA-N 1 0 376.404 1.473 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2Br)[C@@H]1C[NH3+] ZINC000423720285 532079295 /nfs/dbraw/zinc/07/92/95/532079295.db2.gz DJUKIKWGTAIDAC-SWLSCSKDSA-N 1 0 382.302 1.993 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000423708270 532079322 /nfs/dbraw/zinc/07/93/22/532079322.db2.gz UQPBCQMUFKGTIP-SECBINFHSA-N 1 0 376.682 1.867 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)c1ccc(OC)cc1I ZINC000602544207 532079705 /nfs/dbraw/zinc/07/97/05/532079705.db2.gz FWBRTHYTATXEEA-UHFFFAOYSA-N 1 0 392.237 1.608 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1OC ZINC000581428881 532081156 /nfs/dbraw/zinc/08/11/56/532081156.db2.gz JBYCVZCWLMNNBP-QWRGUYRKSA-N 1 0 389.905 1.375 20 0 GDADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)COc2ccc(F)cc2Br)CC1 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389.315 1.560 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]Cc1ncc(I)s1 ZINC000285530160 532091289 /nfs/dbraw/zinc/09/12/89/532091289.db2.gz SGEXKDGTDIEUEJ-UHFFFAOYSA-N 1 0 389.284 1.167 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000272337842 532092306 /nfs/dbraw/zinc/09/23/06/532092306.db2.gz WNFWSRDJSMZICY-KBPBESRZSA-N 1 0 385.555 1.661 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000272337848 532092363 /nfs/dbraw/zinc/09/23/63/532092363.db2.gz WNFWSRDJSMZICY-ZIAGYGMSSA-N 1 0 385.555 1.661 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000285540117 532092533 /nfs/dbraw/zinc/09/25/33/532092533.db2.gz LLNVFAXCDBEMLW-NSHDSACASA-N 1 0 385.306 1.471 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2cn3ccc(Br)cc3n2)CCOCC1 ZINC000285555053 532093653 /nfs/dbraw/zinc/09/36/53/532093653.db2.gz RCQZACWMXNYVPE-UHFFFAOYSA-N 1 0 381.274 1.937 20 0 GDADRO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000285590762 532096832 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CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC000272850399 532118913 /nfs/dbraw/zinc/11/89/13/532118913.db2.gz LBPDTXXNELTXQB-JTQLQIEISA-N 1 0 390.527 1.893 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000330444760 532124400 /nfs/dbraw/zinc/12/44/00/532124400.db2.gz SZOWNWYBXYVTMH-CHWSQXEVSA-N 1 0 381.489 1.377 20 0 GDADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)c4c(c3)OCCO4)[C@@H]2C1 ZINC000285783118 532112242 /nfs/dbraw/zinc/11/22/42/532112242.db2.gz NBTGQWAMENMJJV-ZIAGYGMSSA-N 1 0 397.269 1.765 20 0 GDADRO Cc1nc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)sc1S(N)(=O)=O ZINC000374518028 532125099 /nfs/dbraw/zinc/12/50/99/532125099.db2.gz GFMVUJHHAIYDMJ-GFCCVEGCSA-N 1 0 386.568 2.485 20 0 GDADRO CCCCS(=O)(=O)N1CCC(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)CC1 ZINC000330498377 532126163 /nfs/dbraw/zinc/12/61/63/532126163.db2.gz AUYWYDFNCVWQSP-HOTGVXAUSA-N 1 0 391.603 1.332 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccc(Br)cn1 ZINC000286049177 532129269 /nfs/dbraw/zinc/12/92/69/532129269.db2.gz AREAEHOHENVZDC-WDEREUQCSA-N 1 0 383.290 1.620 20 0 GDADRO O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H]1CC[NH2+]C1 ZINC000273021304 532129580 /nfs/dbraw/zinc/12/95/80/532129580.db2.gz LAAFODNIJFJWHH-JTQLQIEISA-N 1 0 380.297 1.388 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CSCc3cc(=O)n4ccsc4n3)C[C@@H]21 ZINC000374602231 532129886 /nfs/dbraw/zinc/12/98/86/532129886.db2.gz HLSJGCJUMBGMJN-KWCYVHTRSA-N 1 0 378.523 1.575 20 0 GDADRO C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C1=CC[N@H+](C)CC1 ZINC000273058842 532131189 /nfs/dbraw/zinc/13/11/89/532131189.db2.gz YFCAWJSUQZKTLC-SECBINFHSA-N 1 0 375.853 1.507 20 0 GDADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286261369 532139950 /nfs/dbraw/zinc/13/99/50/532139950.db2.gz VNUUXXXUIRGYIL-INIZCTEOSA-N 1 0 392.297 1.731 20 0 GDADRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000286101324 532132003 /nfs/dbraw/zinc/13/20/03/532132003.db2.gz LASKPEAIXXILPD-LSDHHAIUSA-N 1 0 381.527 1.830 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)c2cn3ccc(Br)cc3n2)CC1(C)C ZINC000286124726 532132662 /nfs/dbraw/zinc/13/26/62/532132662.db2.gz XZARJFFKXBILFK-UHFFFAOYSA-N 1 0 394.317 1.853 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000273076912 532133120 /nfs/dbraw/zinc/13/31/20/532133120.db2.gz WUGGWTDCJKBVSH-LLVKDONJSA-N 1 0 389.315 1.727 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 ZINC000330920155 532133665 /nfs/dbraw/zinc/13/36/65/532133665.db2.gz OZDWPJDNOODQAA-GFCCVEGCSA-N 1 0 393.506 1.160 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000273090103 532134040 /nfs/dbraw/zinc/13/40/40/532134040.db2.gz KVKOUZUAMIELBT-UHFFFAOYSA-N 1 0 375.441 1.662 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000273140531 532136199 /nfs/dbraw/zinc/13/61/99/532136199.db2.gz UFZAJTCQOZYMRJ-AWEZNQCLSA-N 1 0 395.319 1.028 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000331775744 532152685 /nfs/dbraw/zinc/15/26/85/532152685.db2.gz CAZRIBXJOBZWRN-IINYFYTJSA-N 1 0 375.288 1.830 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c(Br)c1 ZINC000331830089 532153467 /nfs/dbraw/zinc/15/34/67/532153467.db2.gz QLQFIQWUMFRISG-GXFFZTMASA-N 1 0 375.288 1.830 20 0 GDADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)C1(C)C ZINC000425447444 532140347 /nfs/dbraw/zinc/14/03/47/532140347.db2.gz QOGXKMRXMQJXAA-CJNGLKHVSA-N 1 0 376.544 1.654 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000286303038 532141285 /nfs/dbraw/zinc/14/12/85/532141285.db2.gz XODIICYJLARGHY-XNJGSVPQSA-N 1 0 385.555 1.578 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC000286302750 532141637 /nfs/dbraw/zinc/14/16/37/532141637.db2.gz XCZNQNGCCWKKEG-UHFFFAOYSA-N 1 0 398.301 1.819 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000375113559 532147651 /nfs/dbraw/zinc/14/76/51/532147651.db2.gz NTHQXKHHOLLFHP-QWRGUYRKSA-N 1 0 393.278 1.972 20 0 GDADRO COCc1cc(Cl)ccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000425739122 532148004 /nfs/dbraw/zinc/14/80/04/532148004.db2.gz KRLYFTHQWVMEMD-QGZVFWFLSA-N 1 0 385.917 1.978 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3sccc3Br)C[C@@H]21 ZINC000331537446 532148260 /nfs/dbraw/zinc/14/82/60/532148260.db2.gz HLVPWXHIVHOLLT-JBLDHEPKSA-N 1 0 386.315 1.713 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000331559720 532149655 /nfs/dbraw/zinc/14/96/55/532149655.db2.gz FTCQDVYGQNZTCA-GHMZBOCLSA-N 1 0 386.315 1.537 20 0 GDADRO COC(=O)CCCc1nnc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)s1 ZINC000273725447 532167228 /nfs/dbraw/zinc/16/72/28/532167228.db2.gz PYHKQEJJSZSTLO-QWRGUYRKSA-N 1 0 387.531 1.543 20 0 GDADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1[NH3+] ZINC000332175746 532168163 /nfs/dbraw/zinc/16/81/63/532168163.db2.gz XERLKNYEAZWLPI-SWHYSGLUSA-N 1 0 381.274 1.543 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000332200267 532170522 /nfs/dbraw/zinc/17/05/22/532170522.db2.gz WZDRSMCGXAERCQ-JTQLQIEISA-N 1 0 384.249 1.280 20 0 GDADRO Cn1ncc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1Br ZINC000273590390 532158584 /nfs/dbraw/zinc/15/85/84/532158584.db2.gz HDCUXSPGFGNVRX-GFCCVEGCSA-N 1 0 393.289 1.970 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000332080861 532162128 /nfs/dbraw/zinc/16/21/28/532162128.db2.gz KPLGANINRSCRCZ-FPCVCCKLSA-N 1 0 390.571 1.560 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc3nc(C)sc3c2)CC1 ZINC000332087237 532163076 /nfs/dbraw/zinc/16/30/76/532163076.db2.gz IJGNPHJCLIGELV-ZDUSSCGKSA-N 1 0 382.555 1.909 20 0 GDADRO CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000332088756 532163128 /nfs/dbraw/zinc/16/31/28/532163128.db2.gz UEZPQVWJEMTNOL-JKSUJKDBSA-N 1 0 383.539 1.247 20 0 GDADRO CNS(=O)(=O)c1cccc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000332088752 532163148 /nfs/dbraw/zinc/16/31/48/532163148.db2.gz UEZPQVWJEMTNOL-HOTGVXAUSA-N 1 0 383.539 1.247 20 0 GDADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000286621768 532164322 /nfs/dbraw/zinc/16/43/22/532164322.db2.gz SCLQDLHMKJKZAT-CYBMUJFWSA-N 1 0 383.905 1.743 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000332109993 532164613 /nfs/dbraw/zinc/16/46/13/532164613.db2.gz BKTQGTNDEPGBSG-NWDGAFQWSA-N 1 0 380.286 1.530 20 0 GDADRO COC(=O)c1sccc1NC(=O)CN1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000274003696 532180239 /nfs/dbraw/zinc/18/02/39/532180239.db2.gz KARHUVIERUSATI-KGLIPLIRSA-N 1 0 383.539 1.985 20 0 GDADRO COCCn1cc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000375748835 532182237 /nfs/dbraw/zinc/18/22/37/532182237.db2.gz AEKKTDJTGYOMCN-CQSZACIVSA-N 1 0 384.527 1.391 20 0 GDADRO Cc1c(C(=O)N[C@@H](C)C[NH+](C)C)cc(Br)cc1S(N)(=O)=O ZINC000286930047 532185730 /nfs/dbraw/zinc/18/57/30/532185730.db2.gz JCUYGFWTRXOLHM-QMMMGPOBSA-N 1 0 378.292 1.085 20 0 GDADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000332409695 532184644 /nfs/dbraw/zinc/18/46/44/532184644.db2.gz JEUWFMYZFIRYNK-NVXWUHKLSA-N 1 0 386.539 1.672 20 0 GDADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332272868 532176168 /nfs/dbraw/zinc/17/61/68/532176168.db2.gz GRBCSQXGGBXQHN-RKDXNWHRSA-N 1 0 388.212 1.734 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000332521693 532192678 /nfs/dbraw/zinc/19/26/78/532192678.db2.gz KTFJURIBUHAXQF-ZDUSSCGKSA-N 1 0 386.905 1.108 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000332521214 532192806 /nfs/dbraw/zinc/19/28/06/532192806.db2.gz ZFXGUWQYODADCE-UHFFFAOYSA-N 1 0 398.276 1.859 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)s1 ZINC000287072910 532194082 /nfs/dbraw/zinc/19/40/82/532194082.db2.gz LFPSCPDFQQINTM-OLZOCXBDSA-N 1 0 386.543 1.424 20 0 GDADRO C[C@@H]1CN(CCN(C)C(=O)NCc2ccc(S(C)(=O)=O)s2)C[C@H](C)O1 ZINC000332544939 532194346 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CCO[C@@H]1CN(CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000405384173 532306779 /nfs/dbraw/zinc/30/67/79/532306779.db2.gz OVFCQKSIJBOANX-GDBMZVCRSA-N 1 0 384.318 1.703 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+]CCS(=O)(=O)N(C)C)cnc12 ZINC000289446128 532324364 /nfs/dbraw/zinc/32/43/64/532324364.db2.gz BFKAMKPIQVZODC-UHFFFAOYSA-N 1 0 375.292 1.386 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NCCC[N@@H+](C)CCN(C)C)c1 ZINC000288841421 532309112 /nfs/dbraw/zinc/30/91/12/532309112.db2.gz PLVREAZKVNCXBX-UHFFFAOYSA-N 1 0 399.333 1.696 20 0 GDADRO COCc1cnc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000288898713 532310602 /nfs/dbraw/zinc/31/06/02/532310602.db2.gz SMGJAUMNVLZLEZ-UHFFFAOYSA-N 1 0 382.511 1.880 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000275959755 532315789 /nfs/dbraw/zinc/31/57/89/532315789.db2.gz BCXOZAWLOSBPKJ-AWEZNQCLSA-N 1 0 378.541 1.559 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000289138000 532316468 /nfs/dbraw/zinc/31/64/68/532316468.db2.gz 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CC[NH+](CC)CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000007308937 204239057 /nfs/dbraw/zinc/23/90/57/204239057.db2.gz YZJQXWFJLZZFDC-UHFFFAOYSA-N 1 0 383.514 1.169 20 0 GDADRO Cc1cc(NC(=O)CN2C(=O)NC3(CC[NH2+]CC3)C2=O)ccc1Br ZINC000228994634 525138858 /nfs/dbraw/zinc/13/88/58/525138858.db2.gz ROJRUQBCGBYFHO-UHFFFAOYSA-N 1 0 395.257 1.370 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736295626 598827627 /nfs/dbraw/zinc/82/76/27/598827627.db2.gz VQKOBMBGDVOGON-JLSDUUJJSA-N 1 0 381.484 1.531 20 0 GDADRO CCC(CC)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736345544 598835168 /nfs/dbraw/zinc/83/51/68/598835168.db2.gz IIOHUPXTGQCVTD-UHFFFAOYSA-N 1 0 394.545 1.996 20 0 GDADRO COCCOC1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737005370 598853078 /nfs/dbraw/zinc/85/30/78/598853078.db2.gz FZKWIGYAPDLJTD-UHFFFAOYSA-N 1 0 398.471 1.519 20 0 GDADRO CC[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C[C@@H]1CCOC1 ZINC000736511891 598945429 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1.718 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC000736564772 599007715 /nfs/dbraw/zinc/00/77/15/599007715.db2.gz DORUSCFNYXBPDE-DGCLKSJQSA-N 1 0 382.465 1.499 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)C[C@H]1C ZINC000736565027 599008098 /nfs/dbraw/zinc/00/80/98/599008098.db2.gz FXRGBLPTTRCJGR-UKRRQHHQSA-N 1 0 378.502 1.668 20 0 GDADRO FC(F)(F)c1csc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)n1 ZINC000737638630 599010874 /nfs/dbraw/zinc/01/08/74/599010874.db2.gz HNWISOXXNFOUTP-SSDOTTSWSA-N 1 0 385.379 1.370 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2sccc2-c2nn[nH]n2)[C@H](C)C1 ZINC000736614573 599016535 /nfs/dbraw/zinc/01/65/35/599016535.db2.gz IAWSFCHZSADZPJ-OCCSQVGLSA-N 1 0 378.502 1.795 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738026823 599024075 /nfs/dbraw/zinc/02/40/75/599024075.db2.gz VRHMSDOTFVESIK-UHFFFAOYSA-N 1 0 381.415 1.795 20 0 GDADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000737631041 599039746 /nfs/dbraw/zinc/03/97/46/599039746.db2.gz CBXNLCKXHIKLIB-LLVKDONJSA-N 1 0 383.378 1.582 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000820909381 599087820 /nfs/dbraw/zinc/08/78/20/599087820.db2.gz VDDOAIPGILFFBG-GFCCVEGCSA-N 1 0 389.410 1.586 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000737407470 599121257 /nfs/dbraw/zinc/12/12/57/599121257.db2.gz BQJUJNBEGTVHAZ-KRWDZBQOSA-N 1 0 381.484 1.914 20 0 GDADRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000736230333 599135591 /nfs/dbraw/zinc/13/55/91/599135591.db2.gz SKNHBIHFLKKIEN-AAEUAGOBSA-N 1 0 377.880 1.873 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000821585954 599142073 /nfs/dbraw/zinc/14/20/73/599142073.db2.gz CGCHGAWVHZNCBM-MRXNPFEDSA-N 1 0 394.483 1.285 20 0 GDADRO CC(C)Oc1cccc([C@H](O)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735913823 599211876 /nfs/dbraw/zinc/21/18/76/599211876.db2.gz RJUMUSDOSNOODK-SUMWQHHRSA-N 1 0 398.471 1.215 20 0 GDADRO CC(C)Oc1cccc([C@@H](O)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735913821 599211890 /nfs/dbraw/zinc/21/18/90/599211890.db2.gz RJUMUSDOSNOODK-DYVFJYSZSA-N 1 0 398.471 1.215 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821160956 599213971 /nfs/dbraw/zinc/21/39/71/599213971.db2.gz SARLEWKAYJYPML-CRAIPNDOSA-N 1 0 383.500 1.636 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cccc1-c1nn[nH]n1 ZINC000822053565 607279723 /nfs/dbraw/zinc/27/97/23/607279723.db2.gz OSLSRLPAPOVEAZ-AWEZNQCLSA-N 1 0 385.472 1.208 20 0 GDADRO C[N@H+](CCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1)C1CCCC1 ZINC000821602587 607300825 /nfs/dbraw/zinc/30/08/25/607300825.db2.gz JJKVLIHNJKMLFH-UHFFFAOYSA-N 1 0 399.499 1.966 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736239155 599270869 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1.179 20 0 GDADRO C[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)C[NH+]1CCCCC1 ZINC000736018894 598325322 /nfs/dbraw/zinc/32/53/22/598325322.db2.gz XIPDFFDFCRORBU-ZDUSSCGKSA-N 1 0 375.452 1.927 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736264899 598325417 /nfs/dbraw/zinc/32/54/17/598325417.db2.gz HKHXQBZDZNYUFQ-OLZOCXBDSA-N 1 0 375.452 1.925 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736530587 598326589 /nfs/dbraw/zinc/32/65/89/598326589.db2.gz KLZUFPFSCFOERM-UHFFFAOYSA-N 1 0 393.467 1.506 20 0 GDADRO Cc1ccc(N2CCC[N@H+](CCOc3ccccc3-c3nn[nH]n3)CC2)nn1 ZINC000737353260 598341353 /nfs/dbraw/zinc/34/13/53/598341353.db2.gz UJQJCXIUCJTPBO-UHFFFAOYSA-N 1 0 380.456 1.556 20 0 GDADRO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)c1 ZINC000737448190 598350828 /nfs/dbraw/zinc/35/08/28/598350828.db2.gz NGLJSIOWXPCSIN-NSHDSACASA-N 1 0 386.485 1.539 20 0 GDADRO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000737481061 598351615 /nfs/dbraw/zinc/35/16/15/598351615.db2.gz VNSKCQLUQVPOFL-UHFFFAOYSA-N 1 0 390.455 1.174 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000738387276 598353911 /nfs/dbraw/zinc/35/39/11/598353911.db2.gz PBSINOKMGKPMRA-QGZVFWFLSA-N 1 0 383.456 1.215 20 0 GDADRO C[C@H]1CCC[N@H+](CCCCNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265616 598402491 /nfs/dbraw/zinc/40/24/91/598402491.db2.gz JQTYLJPWVQNNPE-HNNXBMFYSA-N 1 0 399.499 1.225 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736859957 598425611 /nfs/dbraw/zinc/42/56/11/598425611.db2.gz KQFQDLRYEBSPAM-LJQANCHMSA-N 1 0 397.527 1.428 20 0 GDADRO O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000737793355 598465023 /nfs/dbraw/zinc/46/50/23/598465023.db2.gz XONOUZNKOHLVDT-MOPGFXCFSA-N 1 0 395.511 1.922 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738348036 598472639 /nfs/dbraw/zinc/47/26/39/598472639.db2.gz QJDOWOGKVDWFPX-HNNXBMFYSA-N 1 0 376.486 1.506 20 0 GDADRO O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738356463 598472657 /nfs/dbraw/zinc/47/26/57/598472657.db2.gz CLYIWWVCDVSDSZ-AWEZNQCLSA-N 1 0 376.486 1.506 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)N2CCC([NH2+]C(C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000737548333 598506124 /nfs/dbraw/zinc/50/61/24/598506124.db2.gz OKGIOUPXNJERKE-LBPRGKRZSA-N 1 0 375.477 1.866 20 0 GDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736247422 598510075 /nfs/dbraw/zinc/51/00/75/598510075.db2.gz CTIISVKQYRPBIH-KBPBESRZSA-N 1 0 378.502 1.549 20 0 GDADRO CC(C)COc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735845209 598525531 /nfs/dbraw/zinc/52/55/31/598525531.db2.gz SLMPCABRQMFCQR-OAHLLOKOSA-N 1 0 382.472 1.930 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCN1CCCc3ccccc31)C2 ZINC000738442972 598526664 /nfs/dbraw/zinc/52/66/64/598526664.db2.gz SOPVSBUOBYUDKF-CQSZACIVSA-N 1 0 379.472 1.147 20 0 GDADRO c1cn(-c2ccccc2)nc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738425905 598526769 /nfs/dbraw/zinc/52/67/69/598526769.db2.gz PECVEYKGXFQMIG-ZDUSSCGKSA-N 1 0 376.428 1.080 20 0 GDADRO CC(C)(C)c1cn2c(n1)CC[C@@H]([NH2+]C[C@H]1CNc3c(-c4nn[nH]n4)cnn3C1)C2 ZINC000735652970 598527200 /nfs/dbraw/zinc/52/72/00/598527200.db2.gz ZRMLWSIZZDFSER-QWHCGFSZSA-N 1 0 396.503 1.204 20 0 GDADRO CCn1c(C)cc2c1CCC[C@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736720107 598528226 /nfs/dbraw/zinc/52/82/26/598528226.db2.gz IBBRJCIHXITGST-XJKSGUPXSA-N 1 0 381.488 1.902 20 0 GDADRO CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736696580 598531018 /nfs/dbraw/zinc/53/10/18/598531018.db2.gz ZVSWZRVHAGALBQ-WBMJQRKESA-N 1 0 380.456 1.781 20 0 GDADRO CCCC[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000736457710 598538994 /nfs/dbraw/zinc/53/89/94/598538994.db2.gz YEWUOUFJKOXDGG-INIZCTEOSA-N 1 0 393.513 1.925 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736757614 598567007 /nfs/dbraw/zinc/56/70/07/598567007.db2.gz VKAAOTREVWPJPL-NSHDSACASA-N 1 0 377.836 1.011 20 0 GDADRO Cc1cc(C)n(CCN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000737257713 598593765 /nfs/dbraw/zinc/59/37/65/598593765.db2.gz YPIDFSKXEWXYTE-UHFFFAOYSA-N 1 0 380.500 1.888 20 0 GDADRO CCCC[NH+]1CCC(NS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736456715 598595313 /nfs/dbraw/zinc/59/53/13/598595313.db2.gz HTXNXJBHYRUTBK-UHFFFAOYSA-N 1 0 378.502 1.551 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000737006346 598605981 /nfs/dbraw/zinc/60/59/81/598605981.db2.gz GLXYCLKVNKJSAZ-ROUUACIJSA-N 1 0 399.499 1.063 20 0 GDADRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1-c1nn[nH]n1 ZINC000737844874 598618241 /nfs/dbraw/zinc/61/82/41/598618241.db2.gz WUQXKCHYWPMZEB-TZMCWYRMSA-N 1 0 384.362 1.583 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736864517 598626209 /nfs/dbraw/zinc/62/62/09/598626209.db2.gz RLEPCOVFWLPDOE-HNNXBMFYSA-N 1 0 391.479 1.509 20 0 GDADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736855891 598631326 /nfs/dbraw/zinc/63/13/26/598631326.db2.gz GJVSFBJUQDJVPV-UHFFFAOYSA-N 1 0 376.440 1.153 20 0 GDADRO Cc1nnc(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)c(-c2nn[nH]n2)c1C ZINC000737520797 598674481 /nfs/dbraw/zinc/67/44/81/598674481.db2.gz LMIODBLUETTZFY-UHFFFAOYSA-N 1 0 394.487 1.057 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736757116 598688352 /nfs/dbraw/zinc/68/83/52/598688352.db2.gz PEHSKDHTPZYCIC-OAHLLOKOSA-N 1 0 379.424 1.830 20 0 GDADRO C[C@@](CO)([NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000736026955 598701132 /nfs/dbraw/zinc/70/11/32/598701132.db2.gz SOPXKOAIPABRRF-SFHVURJKSA-N 1 0 386.843 1.956 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CCC[C@@H]([NH+](C)C)C1 ZINC000735571194 598703196 /nfs/dbraw/zinc/70/31/96/598703196.db2.gz ULDHUIADSZRHKX-VXGBXAGGSA-N 1 0 389.529 1.770 20 0 GDADRO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736870319 598705276 /nfs/dbraw/zinc/70/52/76/598705276.db2.gz HRAUDQDTGCDBRH-WDEREUQCSA-N 1 0 391.863 1.305 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736572199 598711341 /nfs/dbraw/zinc/71/13/41/598711341.db2.gz VWZMDLHEMCSMKW-LLVKDONJSA-N 1 0 384.893 1.673 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000737548866 598754993 /nfs/dbraw/zinc/75/49/93/598754993.db2.gz SKKVLIHBSUXODY-UHFFFAOYSA-N 1 0 383.456 1.973 20 0 GDADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@H]1CCCO1 ZINC000736791261 598763677 /nfs/dbraw/zinc/76/36/77/598763677.db2.gz CIJDPHXHSTYJKW-LLVKDONJSA-N 1 0 376.486 1.856 20 0 GDADRO CCn1cnnc1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736723716 598763859 /nfs/dbraw/zinc/76/38/59/598763859.db2.gz ZNGXMAXSWQMQHO-AWEZNQCLSA-N 1 0 395.471 1.686 20 0 GDADRO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736568908 598783677 /nfs/dbraw/zinc/78/36/77/598783677.db2.gz DNTWJVOUDAAHNM-INIZCTEOSA-N 1 0 399.499 1.904 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000736568924 598817875 /nfs/dbraw/zinc/81/78/75/598817875.db2.gz DTHJQPPNGWKBCN-INIZCTEOSA-N 1 0 387.463 1.529 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000736291257 599300870 /nfs/dbraw/zinc/30/08/70/599300870.db2.gz UUDSENYWENQDCP-CZUORRHYSA-N 1 0 378.502 1.405 20 0 GDADRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736410465 599301047 /nfs/dbraw/zinc/30/10/47/599301047.db2.gz NWIXXZAXUJOXIL-QEORTHHSSA-N 1 0 385.472 1.430 20 0 GDADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000738390735 599321502 /nfs/dbraw/zinc/32/15/02/599321502.db2.gz SEEJHWJIRUALNM-HUUCEWRRSA-N 1 0 382.390 1.921 20 0 GDADRO Cn1cc([C@@H]([NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C(C)(C)C)cn1 ZINC000737607305 599355758 /nfs/dbraw/zinc/35/57/58/599355758.db2.gz XDOMROBBKUKNDK-NVXWUHKLSA-N 1 0 385.472 1.717 20 0 GDADRO O=C1CCCCN1CC1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000738304450 599358578 /nfs/dbraw/zinc/35/85/78/599358578.db2.gz ZJIRBZQCCUFCOI-UHFFFAOYSA-N 1 0 384.484 1.970 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000822222735 599364000 /nfs/dbraw/zinc/36/40/00/599364000.db2.gz RJVAQEKADXOJMD-OAHLLOKOSA-N 1 0 378.502 1.670 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000821002839 599369795 /nfs/dbraw/zinc/36/97/95/599369795.db2.gz ZFUWCKNMRKCITE-HUUCEWRRSA-N 1 0 376.486 1.422 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821002756 599370046 /nfs/dbraw/zinc/37/00/46/599370046.db2.gz YUWGLWURVPFKTF-RYUDHWBXSA-N 1 0 396.904 1.767 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)C1 ZINC000821088138 599374326 /nfs/dbraw/zinc/37/43/26/599374326.db2.gz KASQFPVTCVUVMI-CQSZACIVSA-N 1 0 378.502 1.528 20 0 GDADRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[C@@H]2CCCO[C@H]21 ZINC000820585547 599382518 /nfs/dbraw/zinc/38/25/18/599382518.db2.gz OKMYQKDVVFQOFP-YLFCFFPRSA-N 1 0 382.468 1.765 20 0 GDADRO C[NH+](C)C1(CNC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000821581908 599404412 /nfs/dbraw/zinc/40/44/12/599404412.db2.gz XVHRALODFGQBFZ-UHFFFAOYSA-N 1 0 387.488 1.809 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1-c1nn[nH]n1 ZINC000821808139 599437679 /nfs/dbraw/zinc/43/76/79/599437679.db2.gz ARBCDWYPPSBMPI-AWEZNQCLSA-N 1 0 393.451 1.343 20 0 GDADRO Cc1cccc2c(CC[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c[nH]c21 ZINC000822332788 599446411 /nfs/dbraw/zinc/44/64/11/599446411.db2.gz SUYXKATWLIZHRJ-ZDUSSCGKSA-N 1 0 377.456 1.727 20 0 GDADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000735562131 599446898 /nfs/dbraw/zinc/44/68/98/599446898.db2.gz NQXCNSOVHQIVJK-OAHLLOKOSA-N 1 0 399.499 1.238 20 0 GDADRO COc1ccc([C@H](C)CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000821778060 599448225 /nfs/dbraw/zinc/44/82/25/599448225.db2.gz SPPFIANWEHMXLR-ZIAGYGMSSA-N 1 0 382.472 1.897 20 0 GDADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820025909 599468330 /nfs/dbraw/zinc/46/83/30/599468330.db2.gz FKPGAHCSVNCQAS-KRWDZBQOSA-N 1 0 388.472 1.155 20 0 GDADRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)C1CCCCC1 ZINC000821581476 599473209 /nfs/dbraw/zinc/47/32/09/599473209.db2.gz MGKOFBSHQXLXMO-MRXNPFEDSA-N 1 0 393.517 1.437 20 0 GDADRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000737401274 599486737 /nfs/dbraw/zinc/48/67/37/599486737.db2.gz MROAKYZJMFJVDM-INIZCTEOSA-N 1 0 379.424 1.352 20 0 GDADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820027026 599489828 /nfs/dbraw/zinc/48/98/28/599489828.db2.gz POYNELJQBHOOGE-INIZCTEOSA-N 1 0 376.436 1.415 20 0 GDADRO C[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000820481268 599522547 /nfs/dbraw/zinc/52/25/47/599522547.db2.gz UIPJUGWLUXTVIL-JTQLQIEISA-N 1 0 375.383 1.196 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000822996317 599525329 /nfs/dbraw/zinc/52/53/29/599525329.db2.gz BUBDVOOYOJQOQZ-UHFFFAOYSA-N 1 0 392.467 1.159 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(c2c(Cl)cccc2-c2nn[nH]n2)CC1 ZINC000822997946 599525350 /nfs/dbraw/zinc/52/53/50/599525350.db2.gz XPPQYOMPXPOHSD-UHFFFAOYSA-N 1 0 375.864 1.265 20 0 GDADRO OCC[N@@H+]1CCCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000823721651 599529784 /nfs/dbraw/zinc/52/97/84/599529784.db2.gz GBXCSLXHOYOSAG-UHFFFAOYSA-N 1 0 375.383 1.198 20 0 GDADRO CC[C@H]1C[N@H+](CCn2cccn2)CCN1c1snc(Cl)c1-c1nn[nH]n1 ZINC000820995590 599536589 /nfs/dbraw/zinc/53/65/89/599536589.db2.gz UPTCVVPXDWDVQD-NSHDSACASA-N 1 0 393.908 1.774 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000735564025 599585561 /nfs/dbraw/zinc/58/55/61/599585561.db2.gz WHSBQGKJEVOXMC-MAUKXSAKSA-N 1 0 399.499 1.380 20 0 GDADRO CN1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1=O ZINC000736853321 599589402 /nfs/dbraw/zinc/58/94/02/599589402.db2.gz WFNLGNBMIVIEKA-ZDUSSCGKSA-N 1 0 377.836 1.011 20 0 GDADRO O=C1[C@@H](N2CCC[N@@H+](C3CCCC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291171 599593270 /nfs/dbraw/zinc/59/32/70/599593270.db2.gz TXEWIRMBHXVVAN-IBGZPJMESA-N 1 0 395.511 1.922 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)c1-c1nn[nH]n1 ZINC000822319599 599598902 /nfs/dbraw/zinc/59/89/02/599598902.db2.gz UMOMCHALILFWRT-UHFFFAOYSA-N 1 0 385.472 1.352 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821625908 599641456 /nfs/dbraw/zinc/64/14/56/599641456.db2.gz YJYGLNGSHKSTHD-FUHWJXTLSA-N 1 0 383.500 1.778 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000822850573 599641902 /nfs/dbraw/zinc/64/19/02/599641902.db2.gz KVJMJGUOYPKNSK-APWZRJJASA-N 1 0 392.463 1.932 20 0 GDADRO O=C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822993211 599641933 /nfs/dbraw/zinc/64/19/33/599641933.db2.gz QXNCEZOHAPQSPC-ZDUSSCGKSA-N 1 0 375.502 1.675 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCSCc1ccccc1-c1nn[nH]n1 ZINC000821266431 599665800 /nfs/dbraw/zinc/66/58/00/599665800.db2.gz CPVNSKYUECDLOA-OAHLLOKOSA-N 1 0 389.529 1.883 20 0 GDADRO C[C@H]1C[C@H](NC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)CC[N@@H+]1C ZINC000820657461 599676068 /nfs/dbraw/zinc/67/60/68/599676068.db2.gz LIYSEMABIQFLAN-GOEBONIOSA-N 1 0 399.499 1.902 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000821243107 599677076 /nfs/dbraw/zinc/67/70/76/599677076.db2.gz ZCYLNYOAHCGVBS-UHFFFAOYSA-N 1 0 375.452 1.927 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000822224177 599694932 /nfs/dbraw/zinc/69/49/32/599694932.db2.gz YVJKKPFBJHDWMJ-UHFFFAOYSA-N 1 0 380.518 1.962 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000821612229 599696487 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HLGSWEANCDIISJ-NVXWUHKLSA-N 1 0 384.484 1.967 20 0 GDADRO Cc1c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cnn1C ZINC000826236267 607994835 /nfs/dbraw/zinc/99/48/35/607994835.db2.gz FTQYRKGXVUQAHN-UHFFFAOYSA-N 1 0 397.487 1.182 20 0 GDADRO CS[C@H]1CN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)C[C@H]1[NH+](C)C ZINC000826226540 608015487 /nfs/dbraw/zinc/01/54/87/608015487.db2.gz BKEUHOYCYOHGQQ-KGLIPLIRSA-N 1 0 378.527 1.463 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(C)[nH]c3ccccc32)c1-c1nn[nH]n1 ZINC000826077792 608019773 /nfs/dbraw/zinc/01/97/73/608019773.db2.gz WFIBSTBMNKUJKO-UHFFFAOYSA-N 1 0 393.455 1.713 20 0 GDADRO CCC(=O)Nc1cccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)c1 ZINC000825034587 608020095 /nfs/dbraw/zinc/02/00/95/608020095.db2.gz MKPKVLHNSGRJFK-UHFFFAOYSA-N 1 0 397.443 1.343 20 0 GDADRO Cc1ccccc1NC(=O)CC[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000826307443 608036245 /nfs/dbraw/zinc/03/62/45/608036245.db2.gz IHFOHWPCIYEUJO-UHFFFAOYSA-N 1 0 383.460 1.374 20 0 GDADRO 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608100508 /nfs/dbraw/zinc/10/05/08/608100508.db2.gz CXSIEPKAGQWUAZ-UHFFFAOYSA-N 1 0 382.428 1.524 20 0 GDADRO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824104461 608100856 /nfs/dbraw/zinc/10/08/56/608100856.db2.gz UAAQEPVXQJJWEB-UHFFFAOYSA-N 1 0 384.444 1.471 20 0 GDADRO Fc1ccccc1N1CCC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000826378675 608101311 /nfs/dbraw/zinc/10/13/11/608101311.db2.gz VSELZJFHIPYZHL-ZIAGYGMSSA-N 1 0 397.462 1.503 20 0 GDADRO Cc1cccc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1-c1nn[nH]n1 ZINC000826303116 608126711 /nfs/dbraw/zinc/12/67/11/608126711.db2.gz APJKCXZOFJGBBN-CQSZACIVSA-N 1 0 378.502 1.718 20 0 GDADRO C[C@H]1CN(c2snc(Cl)c2-c2nn[nH]n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000825000742 608150846 /nfs/dbraw/zinc/15/08/46/608150846.db2.gz UFXBFBCLFBIZRA-QWRGUYRKSA-N 1 0 382.925 1.439 20 0 GDADRO C[C@@H]1CN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824974845 608164879 /nfs/dbraw/zinc/16/48/79/608164879.db2.gz 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O=C(CC[N@H+]1CCCN(CC(F)F)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407523 608322535 /nfs/dbraw/zinc/32/25/35/608322535.db2.gz QCGHLQNOOPKSQA-UHFFFAOYSA-N 1 0 379.415 1.468 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826504348 608326575 /nfs/dbraw/zinc/32/65/75/608326575.db2.gz UKMHGSFIBAQHSQ-BQFCYCMXSA-N 1 0 387.484 1.745 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826033930 608333567 /nfs/dbraw/zinc/33/35/67/608333567.db2.gz LIMLAEYTHGJOAI-HOTGVXAUSA-N 1 0 394.476 1.394 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000824978255 608335624 /nfs/dbraw/zinc/33/56/24/608335624.db2.gz VJYGMYLEGDXLMO-ABAIWWIYSA-N 1 0 382.465 1.154 20 0 GDADRO CC[C@@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000825205495 608337382 /nfs/dbraw/zinc/33/73/82/608337382.db2.gz WKDRSNMZIAJJOP-TZMCWYRMSA-N 1 0 389.460 1.184 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000826279416 608342447 /nfs/dbraw/zinc/34/24/47/608342447.db2.gz PGSBZZOTHCRWBR-UHFFFAOYSA-N 1 0 392.529 1.918 20 0 GDADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000826160648 608356600 /nfs/dbraw/zinc/35/66/00/608356600.db2.gz ZWBMOYRTYIKVTP-XJKSGUPXSA-N 1 0 388.472 1.238 20 0 GDADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000824305943 608363575 /nfs/dbraw/zinc/36/35/75/608363575.db2.gz XVNHSMYVZIYCEG-UHFFFAOYSA-N 1 0 391.863 1.448 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000826168181 608373688 /nfs/dbraw/zinc/37/36/88/608373688.db2.gz FHVDZDPTICGDPP-KRWDZBQOSA-N 1 0 383.456 1.554 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)N2CCC3(CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c1C ZINC000826341528 608384844 /nfs/dbraw/zinc/38/48/44/608384844.db2.gz JPYFQBMQZJDJKC-ZDUSSCGKSA-N 1 0 387.488 1.964 20 0 GDADRO CC[NH+]1CCN(Cc2ccc(CNc3ccc(-c4nn[nH]n4)nn3)cc2)CC1 ZINC000825459155 608398093 /nfs/dbraw/zinc/39/80/93/608398093.db2.gz IZYBUAVZEZQSQD-UHFFFAOYSA-N 1 0 379.472 1.406 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825220376 608407293 /nfs/dbraw/zinc/40/72/93/608407293.db2.gz ROCONQPGBUIFNE-JKSUJKDBSA-N 1 0 390.513 1.199 20 0 GDADRO COCC[N@H+](C)CCOc1cccc(CNc2ccc(-c3nn[nH]n3)nn2)c1 ZINC000826157710 608411851 /nfs/dbraw/zinc/41/18/51/608411851.db2.gz IBWQVMXCCNTYCC-UHFFFAOYSA-N 1 0 384.444 1.226 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000825856228 608412291 /nfs/dbraw/zinc/41/22/91/608412291.db2.gz SDVSGFOMLSIUDH-UHFFFAOYSA-N 1 0 394.483 1.988 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826389704 608436425 /nfs/dbraw/zinc/43/64/25/608436425.db2.gz GDHFMRMYIPXANI-HNNXBMFYSA-N 1 0 375.864 1.439 20 0 GDADRO C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554560 608460334 /nfs/dbraw/zinc/46/03/34/608460334.db2.gz QLUUWSJDMZQZAI-HNNXBMFYSA-N 1 0 395.467 1.455 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000826185513 608479106 /nfs/dbraw/zinc/47/91/06/608479106.db2.gz LXWIOBKITROYGQ-UHFFFAOYSA-N 1 0 389.460 1.186 20 0 GDADRO C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553533 608481973 /nfs/dbraw/zinc/48/19/73/608481973.db2.gz CFYLXXSZVKWOFZ-HNNXBMFYSA-N 1 0 395.467 1.455 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824571054 608484515 /nfs/dbraw/zinc/48/45/15/608484515.db2.gz PNCASDKEVUNCPT-YVEFUNNKSA-N 1 0 387.465 1.654 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824555578 608485634 /nfs/dbraw/zinc/48/56/34/608485634.db2.gz XTZXXRGILRINJK-HEHGZKQESA-N 1 0 385.472 1.922 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1nnc(-c2ccco2)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562589 608489511 /nfs/dbraw/zinc/48/95/11/608489511.db2.gz HLUIALXLDMUSMQ-SNVBAGLBSA-N 1 0 380.368 1.799 20 0 GDADRO CCN(CCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)S(C)(=O)=O 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ZINC000237124407 645082433 /nfs/dbraw/zinc/08/24/33/645082433.db2.gz QGVSLHLHXFXLGN-UHFFFAOYSA-N 1 0 378.248 1.730 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)c(F)cc1Br ZINC000237203985 645084355 /nfs/dbraw/zinc/08/43/55/645084355.db2.gz RVFQUPHUFZYVTN-NSHDSACASA-N 1 0 395.250 1.390 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000237425485 645085301 /nfs/dbraw/zinc/08/53/01/645085301.db2.gz YFMLSVGZLOYTSG-JTQLQIEISA-N 1 0 375.288 1.664 20 0 GDADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000237602707 645086900 /nfs/dbraw/zinc/08/69/00/645086900.db2.gz JTXQSZKJGGSEDG-UHFFFAOYSA-N 1 0 376.866 1.130 20 0 GDADRO C[C@@H]([NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000261869120 645118805 /nfs/dbraw/zinc/11/88/05/645118805.db2.gz QIYVPVNGLLKARN-LLVKDONJSA-N 1 0 390.303 1.019 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)c(Cl)c1 ZINC000262756160 645137020 /nfs/dbraw/zinc/13/70/20/645137020.db2.gz PQFYYCYIIIFZRS-UHFFFAOYSA-N 1 0 390.889 1.645 20 0 GDADRO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(I)c1 ZINC000262759595 645137694 /nfs/dbraw/zinc/13/76/94/645137694.db2.gz QUJOWMJUAJQFRW-SKDRFNHKSA-N 1 0 380.251 1.697 20 0 GDADRO C[NH2+]CCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000271135775 645165077 /nfs/dbraw/zinc/16/50/77/645165077.db2.gz RGXXLJMXNIOXKR-CYBMUJFWSA-N 1 0 389.905 1.089 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(C(=O)CNC(=O)c3ccc(Br)s3)C2)C1 ZINC000292092327 645203421 /nfs/dbraw/zinc/20/34/21/645203421.db2.gz DJGSUJYUDSCVAZ-HNNXBMFYSA-N 1 0 386.315 1.795 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCC[C@H]1CCC[NH2+]1 ZINC000569245157 650991000 /nfs/dbraw/zinc/99/10/00/650991000.db2.gz DMQQQILBHHYRAW-LLVKDONJSA-N 1 0 394.324 1.920 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000311241701 645241661 /nfs/dbraw/zinc/24/16/61/645241661.db2.gz WYUYVPRWHOKLJF-DZGCQCFKSA-N 1 0 375.535 1.693 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)COc1ccc(Br)c(C)c1[N+](=O)[O-] ZINC000319540830 645252294 /nfs/dbraw/zinc/25/22/94/645252294.db2.gz MHFAOIIRUQJXFB-LLVKDONJSA-N 1 0 377.235 1.984 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(Br)cs3)CC2)C1=O ZINC000329164778 645300869 /nfs/dbraw/zinc/30/08/69/645300869.db2.gz HDJCDURIMINSTR-GFCCVEGCSA-N 1 0 386.315 1.936 20 0 GDADRO C[C@H](NS(=O)(=O)CC1CCS(=O)(=O)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329307206 645304981 /nfs/dbraw/zinc/30/49/81/645304981.db2.gz YEWKZQMHSUGPRQ-HOCLYGCPSA-N 1 0 392.587 1.384 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000330581405 645378409 /nfs/dbraw/zinc/37/84/09/645378409.db2.gz KZVAAZCVYUZJKH-KGLIPLIRSA-N 1 0 392.930 1.793 20 0 GDADRO CC(C)(C)c1nnc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000330613723 645383274 /nfs/dbraw/zinc/38/32/74/645383274.db2.gz SGYRBGPOSQKFFW-GHMZBOCLSA-N 1 0 389.547 1.224 20 0 GDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000330620573 645385201 /nfs/dbraw/zinc/38/52/01/645385201.db2.gz ABYDPTGPAWPEII-VXGBXAGGSA-N 1 0 375.441 1.184 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000330804758 645419608 /nfs/dbraw/zinc/41/96/08/645419608.db2.gz LHNVGIWWWZLQHZ-LBPRGKRZSA-N 1 0 393.506 1.160 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000569676906 651010082 /nfs/dbraw/zinc/01/00/82/651010082.db2.gz LMGOEMACXZBEON-MNOVXSKESA-N 1 0 394.950 1.591 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1 ZINC000569715935 651011785 /nfs/dbraw/zinc/01/17/85/651011785.db2.gz VIPCKXZFWHDPGR-OAHLLOKOSA-N 1 0 390.933 1.649 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000331207839 645479464 /nfs/dbraw/zinc/47/94/64/645479464.db2.gz ZDUULDYGHGTYNM-QWHCGFSZSA-N 1 0 377.869 1.868 20 0 GDADRO C[NH+](C)C1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000331280505 645491380 /nfs/dbraw/zinc/49/13/80/645491380.db2.gz FECMOMHGSLZUSI-UHFFFAOYSA-N 1 0 390.303 1.263 20 0 GDADRO COc1ccc(Br)c(-c2nnn(C[C@@H](O)C[N@H+](C)C(C)C)n2)c1 ZINC000569940822 651018385 /nfs/dbraw/zinc/01/83/85/651018385.db2.gz FXWCQGUDVUNFFK-NSHDSACASA-N 1 0 384.278 1.812 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000331792941 645534395 /nfs/dbraw/zinc/53/43/95/645534395.db2.gz VMXMZGTYLLSJDA-UWVGGRQHSA-N 1 0 376.404 1.428 20 0 GDADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000368976526 645637135 /nfs/dbraw/zinc/63/71/35/645637135.db2.gz WXRGZRBKWRRPCO-WFASDCNBSA-N 1 0 383.286 1.840 20 0 GDADRO CC[NH+]1C[C@H](C)N(C(=O)CCNS(=O)(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000570224958 651030695 /nfs/dbraw/zinc/03/06/95/651030695.db2.gz JHFCPBBWIDWMGG-KBPBESRZSA-N 1 0 387.933 1.950 20 0 GDADRO C[C@H]1CN(C(=O)c2cccnc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000369776635 645658991 /nfs/dbraw/zinc/65/89/91/645658991.db2.gz CAQXGCSGHYDQQR-ZFWWWQNUSA-N 1 0 381.318 1.942 20 0 GDADRO COc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)nc1Br ZINC000370335525 645684196 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GDADRO Cc1cc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])n(-c2cccc(Br)c2)n1 ZINC000415420535 645893605 /nfs/dbraw/zinc/89/36/05/645893605.db2.gz SSWAGSWFFGVQIC-LLVKDONJSA-N 1 0 394.273 1.687 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415513398 645895728 /nfs/dbraw/zinc/89/57/28/645895728.db2.gz XJTTZBPYLJFUJD-SSDOTTSWSA-N 1 0 395.628 1.594 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000415514539 645896487 /nfs/dbraw/zinc/89/64/87/645896487.db2.gz ZVEDTFQUVYXAHR-LURJTMIESA-N 1 0 397.163 1.219 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415535867 645897402 /nfs/dbraw/zinc/89/74/02/645897402.db2.gz ZAIIALKMQLKGQR-VHSXEESVSA-N 1 0 381.889 1.936 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000415537969 645897772 /nfs/dbraw/zinc/89/77/72/645897772.db2.gz IIFTVSZIGJXCEN-NSHDSACASA-N 1 0 387.221 1.392 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416308852 645902182 /nfs/dbraw/zinc/90/21/82/645902182.db2.gz MOZILUSNRKUHAV-STQMWFEESA-N 1 0 385.302 1.914 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417608860 645905506 /nfs/dbraw/zinc/90/55/06/645905506.db2.gz JNSQIOKGWHQEHM-ZDUSSCGKSA-N 1 0 385.281 1.777 20 0 GDADRO CC(C)(CNC(=O)NCC[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000417687250 645906099 /nfs/dbraw/zinc/90/60/99/645906099.db2.gz VKNYNZOBBACVTR-UHFFFAOYSA-N 1 0 378.292 1.259 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000418088718 645907925 /nfs/dbraw/zinc/90/79/25/645907925.db2.gz AIELXQXPFACKPI-UKRRQHHQSA-N 1 0 383.290 1.397 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000419073843 645911866 /nfs/dbraw/zinc/91/18/66/645911866.db2.gz SHAXMOALTBRYHD-ZANVPECISA-N 1 0 388.693 1.914 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCCc2ccc(Br)cc2F)C1 ZINC000419175089 645913180 /nfs/dbraw/zinc/91/31/80/645913180.db2.gz OQBCOZOJVYYPIC-CYBMUJFWSA-N 1 0 386.265 1.587 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419401656 645916122 /nfs/dbraw/zinc/91/61/22/645916122.db2.gz ODFMPTXNEWWYHK-JOYOIKCWSA-N 1 0 375.256 1.127 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1Br ZINC000419438681 645917707 /nfs/dbraw/zinc/91/77/07/645917707.db2.gz IAEOADBBTVQMJR-MRXNPFEDSA-N 1 0 384.274 1.271 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419461400 645918758 /nfs/dbraw/zinc/91/87/58/645918758.db2.gz KMQWTYKTOOTXRJ-OLZOCXBDSA-N 1 0 394.313 1.793 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000419460865 645918766 /nfs/dbraw/zinc/91/87/66/645918766.db2.gz JRAYLTDCXMRZIO-OLZOCXBDSA-N 1 0 394.313 1.983 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419463335 645919320 /nfs/dbraw/zinc/91/93/20/645919320.db2.gz ORBMXBVBMCOZNZ-DOMZBBRYSA-N 1 0 394.313 1.711 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2cc(Cl)ccc2Br)C[C@@H]1[NH3+] ZINC000419495705 645920801 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398.301 1.462 20 0 GDADRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419708753 645927238 /nfs/dbraw/zinc/92/72/38/645927238.db2.gz NXNQSSKLWBCPLL-PWSUYJOCSA-N 1 0 377.304 1.859 20 0 GDADRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000419710615 645927797 /nfs/dbraw/zinc/92/77/97/645927797.db2.gz LWHLGLHCJDWVIJ-YMTOWFKASA-N 1 0 377.304 2.000 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000419765417 645930690 /nfs/dbraw/zinc/93/06/90/645930690.db2.gz XHGRUQMLUOXABL-VXGBXAGGSA-N 1 0 385.295 1.509 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1cc(F)cc(Br)c1 ZINC000419771115 645931393 /nfs/dbraw/zinc/93/13/93/645931393.db2.gz FCWQAWJQYBXHBN-IINYFYTJSA-N 1 0 386.265 1.976 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000419773320 645931771 /nfs/dbraw/zinc/93/17/71/645931771.db2.gz HCXBNYQMYACJHL-LLVKDONJSA-N 1 0 387.311 1.537 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419868663 645932276 /nfs/dbraw/zinc/93/22/76/645932276.db2.gz RFGJDNRRUIXCPE-OAHLLOKOSA-N 1 0 394.313 1.793 20 0 GDADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000570836690 651058218 /nfs/dbraw/zinc/05/82/18/651058218.db2.gz KUPVCMUFQAXPEJ-JKSUJKDBSA-N 1 0 390.933 1.621 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000420063476 645934892 /nfs/dbraw/zinc/93/48/92/645934892.db2.gz UWDOFXAFXDRHMH-UHFFFAOYSA-N 1 0 386.265 1.933 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000420155090 645937008 /nfs/dbraw/zinc/93/70/08/645937008.db2.gz DUFJROKAWZPULZ-OCCSQVGLSA-N 1 0 384.933 1.302 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)CC2 ZINC000420184581 645937511 /nfs/dbraw/zinc/93/75/11/645937511.db2.gz ASDFOUZTAQKAON-OCCSQVGLSA-N 1 0 394.313 1.886 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC000420187509 645938093 /nfs/dbraw/zinc/93/80/93/645938093.db2.gz RKUVMYSTMGUQKB-NSHDSACASA-N 1 0 388.295 1.791 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000420193896 645939254 /nfs/dbraw/zinc/93/92/54/645939254.db2.gz RZBPFMTYKMPVQE-FZMZJTMJSA-N 1 0 396.285 1.414 20 0 GDADRO C[C@@H]1CN(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@H]1[NH3+] ZINC000420355121 645941606 /nfs/dbraw/zinc/94/16/06/645941606.db2.gz BZUIKUMYPNWKOC-BXUZGUMPSA-N 1 0 388.921 1.198 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000420379058 645942157 /nfs/dbraw/zinc/94/21/57/645942157.db2.gz AKZJRWOPQXOUTB-CJNGLKHVSA-N 1 0 384.318 1.846 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCCO[C@@H](C[NH3+])C1 ZINC000420384873 645942218 /nfs/dbraw/zinc/94/22/18/645942218.db2.gz HAABUUKNRZUUOO-LBPRGKRZSA-N 1 0 376.320 1.519 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(Cl)cc1F ZINC000420476674 645944116 /nfs/dbraw/zinc/94/41/16/645944116.db2.gz IVDOVGCLLYAUEE-GFCCVEGCSA-N 1 0 387.868 1.864 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000420734528 645958335 /nfs/dbraw/zinc/95/83/35/645958335.db2.gz WFNSFTLDIOADNG-UHFFFAOYSA-N 1 0 383.848 1.467 20 0 GDADRO C[NH+](C)C1CCC(NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000420751346 645963621 /nfs/dbraw/zinc/96/36/21/645963621.db2.gz WMAHISJAUWRZNQ-UHFFFAOYSA-N 1 0 389.905 1.355 20 0 GDADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000570984484 651061387 /nfs/dbraw/zinc/06/13/87/651061387.db2.gz YZEHCTDBBZUIMB-ZDUSSCGKSA-N 1 0 375.922 1.853 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422100796 646039671 /nfs/dbraw/zinc/03/96/71/646039671.db2.gz LQAJAEZXWMPCAJ-CQSZACIVSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000422408194 646065645 /nfs/dbraw/zinc/06/56/45/646065645.db2.gz CNTOYSWHBLJWPF-IUODEOHRSA-N 1 0 394.313 1.849 20 0 GDADRO O[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)COc1ccccc1Br ZINC000422935252 646101356 /nfs/dbraw/zinc/10/13/56/646101356.db2.gz GYUQNDPBLGOUHT-COXVUDFISA-N 1 0 385.302 1.545 20 0 GDADRO C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000422933885 646101436 /nfs/dbraw/zinc/10/14/36/646101436.db2.gz ISDXCZFRJRFVCD-GWCFXTLKSA-N 1 0 379.404 1.854 20 0 GDADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000422949256 646102719 /nfs/dbraw/zinc/10/27/19/646102719.db2.gz UPDOMZJIZUWDHN-JSGCOSHPSA-N 1 0 387.274 1.850 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423002862 646107547 /nfs/dbraw/zinc/10/75/47/646107547.db2.gz KCFZVPOUQQLVAT-NWDGAFQWSA-N 1 0 398.301 1.612 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000423001114 646107621 /nfs/dbraw/zinc/10/76/21/646107621.db2.gz WQJKCHPKXKERNK-JSGCOSHPSA-N 1 0 382.302 1.851 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)CC1 ZINC000423021838 646109602 /nfs/dbraw/zinc/10/96/02/646109602.db2.gz GHJTWYBGCZAGDS-UHFFFAOYSA-N 1 0 388.331 1.927 20 0 GDADRO [NH3+]CCCCn1cc(C(=O)NCC(=O)Nc2ccc(Br)cc2)nn1 ZINC000423052172 646110111 /nfs/dbraw/zinc/11/01/11/646110111.db2.gz PXXLUZRMOPGGIS-UHFFFAOYSA-N 1 0 395.261 1.148 20 0 GDADRO COC[C@]1(C(=O)NCc2cc(Br)c(OC)c(OC)c2)CC[NH2+]C1 ZINC000423124953 646115812 /nfs/dbraw/zinc/11/58/12/646115812.db2.gz PMOXGPJJPQFECK-INIZCTEOSA-N 1 0 387.274 1.709 20 0 GDADRO CC(C)(C(=O)NCCS(=O)(=O)N1CCSCC1)[C@@H]([NH3+])c1ccccc1 ZINC000423153267 646116332 /nfs/dbraw/zinc/11/63/32/646116332.db2.gz HGPXHBFYHQEYMW-HNNXBMFYSA-N 1 0 385.555 1.207 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CCO1 ZINC000423172060 646117323 /nfs/dbraw/zinc/11/73/23/646117323.db2.gz RCHBWNRYDBWTEH-CYBMUJFWSA-N 1 0 386.279 1.671 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423235610 646120108 /nfs/dbraw/zinc/12/01/08/646120108.db2.gz GSBMPXQOHHWSES-HUUCEWRRSA-N 1 0 394.313 1.518 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000423359774 646123248 /nfs/dbraw/zinc/12/32/48/646123248.db2.gz PNXKRLFRHUCDGK-UHFFFAOYSA-N 1 0 377.329 1.773 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423381180 646123879 /nfs/dbraw/zinc/12/38/79/646123879.db2.gz OEMNWGLSWDOHMS-UHFFFAOYSA-N 1 0 394.313 1.889 20 0 GDADRO C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423406480 646124611 /nfs/dbraw/zinc/12/46/11/646124611.db2.gz USKAQEPRNLDCAT-NRUUGDAUSA-N 1 0 376.320 1.745 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000423535499 646129144 /nfs/dbraw/zinc/12/91/44/646129144.db2.gz XXYUVKGVKUEGKM-CYBMUJFWSA-N 1 0 396.285 1.379 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1Cc2cc(Br)ccc2C[C@H]1C ZINC000423562075 646130108 /nfs/dbraw/zinc/13/01/08/646130108.db2.gz QCPXYNSKYYQXQS-GFCCVEGCSA-N 1 0 382.302 1.790 20 0 GDADRO C[C@H](NCCC[NH2+]C1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423556753 646130122 /nfs/dbraw/zinc/13/01/22/646130122.db2.gz MODPWLWXEPCHLR-JTQLQIEISA-N 1 0 376.320 1.889 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000423579574 646132619 /nfs/dbraw/zinc/13/26/19/646132619.db2.gz OWHNEIAJSPXSHU-ZDUSSCGKSA-N 1 0 382.258 1.120 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)C[C@@H]1[NH3+] ZINC000423578289 646132701 /nfs/dbraw/zinc/13/27/01/646132701.db2.gz KQVQWDZWULTCLQ-SWHYSGLUSA-N 1 0 396.285 1.537 20 0 GDADRO CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000423579984 646133182 /nfs/dbraw/zinc/13/31/82/646133182.db2.gz QCBVBTPALPSLMZ-YPMHNXCESA-N 1 0 382.258 1.291 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000423583628 646133944 /nfs/dbraw/zinc/13/39/44/646133944.db2.gz CGUCUDZFAQLWHS-AWEZNQCLSA-N 1 0 397.317 1.951 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000423589323 646134594 /nfs/dbraw/zinc/13/45/94/646134594.db2.gz HRVDQEJYQMIZAM-TZMCWYRMSA-N 1 0 381.274 1.457 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CCC[NH2+]CC2)c1 ZINC000423603282 646136432 /nfs/dbraw/zinc/13/64/32/646136432.db2.gz DYRMVZGNZIDSEY-UHFFFAOYSA-N 1 0 384.274 1.238 20 0 GDADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423604855 646136496 /nfs/dbraw/zinc/13/64/96/646136496.db2.gz IZPUXZSEJHQOCH-UHFFFAOYSA-N 1 0 384.318 1.893 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000423615724 646137260 /nfs/dbraw/zinc/13/72/60/646137260.db2.gz ZGSFWBGKVZZHKE-IUODEOHRSA-N 1 0 396.285 1.169 20 0 GDADRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000423689720 646143334 /nfs/dbraw/zinc/14/33/34/646143334.db2.gz YCPWQXYMHYDDFD-GMSGAONNSA-N 1 0 379.251 1.553 20 0 GDADRO CN(C(=O)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1)C1CC[NH2+]CC1 ZINC000423695421 646143832 /nfs/dbraw/zinc/14/38/32/646143832.db2.gz VTWMQAPVRZUISI-CQSZACIVSA-N 1 0 394.313 1.975 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000423945284 646144993 /nfs/dbraw/zinc/14/49/93/646144993.db2.gz ARSZKXGPERUACF-CYBMUJFWSA-N 1 0 396.285 1.925 20 0 GDADRO CN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@@H](C[NH3+])C1CC1 ZINC000423946338 646145125 /nfs/dbraw/zinc/14/51/25/646145125.db2.gz JJIIJXYLZFKECR-HNNXBMFYSA-N 1 0 393.285 1.745 20 0 GDADRO CN(C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H](C[NH3+])C1CC1 ZINC000423950260 646145730 /nfs/dbraw/zinc/14/57/30/646145730.db2.gz NQLLBSNPXZVGGS-CABCVRRESA-N 1 0 380.286 1.998 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000423965157 646147530 /nfs/dbraw/zinc/14/75/30/646147530.db2.gz XXZDQRWROQLCSQ-ZDUSSCGKSA-N 1 0 381.274 1.649 20 0 GDADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423984013 646149088 /nfs/dbraw/zinc/14/90/88/646149088.db2.gz AXRUHGNOBORYEW-KOLCDFICSA-N 1 0 377.666 1.974 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c(C)o1 ZINC000423980135 646149098 /nfs/dbraw/zinc/14/90/98/646149098.db2.gz REPXTCMIVXGLTI-UHFFFAOYSA-N 1 0 384.483 1.672 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423989027 646149544 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Cn1cc([C@@H]2CN(Cc3ccc(I)cc3)C[C@H]2[NH3+])cn1 ZINC000424302520 646173884 /nfs/dbraw/zinc/17/38/84/646173884.db2.gz XPSBWPCGXPZKKA-LSDHHAIUSA-N 1 0 382.249 1.951 20 0 GDADRO COC(=O)CC1CC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000424352575 646174513 /nfs/dbraw/zinc/17/45/13/646174513.db2.gz QEGPDLKTWDOCMQ-UHFFFAOYSA-N 1 0 378.853 1.689 20 0 GDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1cc(F)c(F)cc1Cl ZINC000432527470 646190449 /nfs/dbraw/zinc/19/04/49/646190449.db2.gz PTMLXCZZBHCYRH-UHFFFAOYSA-N 1 0 375.847 1.738 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000440737044 646253338 /nfs/dbraw/zinc/25/33/38/646253338.db2.gz RFRWQBRORNMYLR-LBPRGKRZSA-N 1 0 393.303 1.505 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 ZINC000917544027 660215494 /nfs/dbraw/zinc/21/54/94/660215494.db2.gz BEDBTTBLGPXJBF-XMMPIXPASA-N 1 0 389.543 1.213 20 0 GDADRO CC(C)[NH+]1CCN(CCC(=O)Nc2nnc3ccc(Br)cn32)CC1 ZINC000908550339 659924736 /nfs/dbraw/zinc/92/47/36/659924736.db2.gz 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ZINC000444113513 647242138 /nfs/dbraw/zinc/24/21/38/647242138.db2.gz GCQXVBCZSVOURD-GFCCVEGCSA-N 1 0 375.288 1.480 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)nc1F)C2 ZINC000920273440 660268524 /nfs/dbraw/zinc/26/85/24/660268524.db2.gz HJRHVSXHILBSRI-XYJYNPGVSA-N 1 0 375.441 1.118 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000444310308 647249203 /nfs/dbraw/zinc/24/92/03/647249203.db2.gz GQIUJCPDHYXACX-IINYFYTJSA-N 1 0 377.794 1.969 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ncn(C)c3Cl)C2)[C@@H]1C(C)C ZINC000920295198 660269242 /nfs/dbraw/zinc/26/92/42/660269242.db2.gz JYKQQJYJUIXOLJ-FOCJUVANSA-N 1 0 390.937 1.222 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)C[C@@]3(C)CC3(F)F)C2)[C@H]1C(C)C ZINC000920311240 660270045 /nfs/dbraw/zinc/27/00/45/660270045.db2.gz VDFLVWOYJKWPIW-QCODTGAPSA-N 1 0 380.501 1.821 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000445557181 647270364 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Cc1cc(NC(=O)c2csc(S(N)(=O)=O)c2)ccc1OCC[NH+](C)C ZINC000458196010 647437037 /nfs/dbraw/zinc/43/70/37/647437037.db2.gz MNMKPPVSOVBBBL-UHFFFAOYSA-N 1 0 383.495 1.897 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000458678058 647445678 /nfs/dbraw/zinc/44/56/78/647445678.db2.gz VGLDWILJDKMRAF-GFCCVEGCSA-N 1 0 388.310 1.958 20 0 GDADRO C[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)Oc1cccc(Br)c1 ZINC000460255095 647468330 /nfs/dbraw/zinc/46/83/30/647468330.db2.gz FDKYDYNLBBNSIT-MLGOLLRUSA-N 1 0 386.290 1.582 20 0 GDADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)[C@@]1(CO)CCOC1 ZINC000461383127 647492171 /nfs/dbraw/zinc/49/21/71/647492171.db2.gz UHUJSRLOLBIEBV-IUODEOHRSA-N 1 0 394.693 1.925 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(OCC(F)(F)F)nc1 ZINC000461888410 647502849 /nfs/dbraw/zinc/50/28/49/647502849.db2.gz HRGJGUZVFGTTAV-QWHCGFSZSA-N 1 0 379.404 1.689 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1F ZINC000461902857 647503523 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/nfs/dbraw/zinc/71/25/24/647712524.db2.gz BZMMRGFOCXJHSW-WBVHZDCISA-N 1 0 375.579 1.921 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000469803648 647716270 /nfs/dbraw/zinc/71/62/70/647716270.db2.gz CWRBMFCIVBQDIX-UHFFFAOYSA-N 1 0 388.306 1.544 20 0 GDADRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000469835879 647717816 /nfs/dbraw/zinc/71/78/16/647717816.db2.gz HNINJJZXBSDOAC-JMGFVUJMSA-N 1 0 383.286 1.775 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000470003504 647719179 /nfs/dbraw/zinc/71/91/79/647719179.db2.gz QYOSRIWXMJHXEX-UHFFFAOYSA-N 1 0 392.301 1.498 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(Br)cc2N)C1 ZINC000470296940 647722257 /nfs/dbraw/zinc/72/22/57/647722257.db2.gz HCNYZVCPJXGIBX-LLVKDONJSA-N 1 0 383.290 1.349 20 0 GDADRO C[C@H](C[NH3+])NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000470458729 647727181 /nfs/dbraw/zinc/72/71/81/647727181.db2.gz NKDIJAYLPIABHE-ZYHUDNBSSA-N 1 0 386.265 1.904 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)c1ccc(I)cc1 ZINC000471625568 647748812 /nfs/dbraw/zinc/74/88/12/647748812.db2.gz GXVXCQULMDUHRQ-UHFFFAOYSA-N 1 0 398.266 1.148 20 0 GDADRO Cc1cc(C[NH2+]CCNS(C)(=O)=O)c(C)cc1I ZINC000921600862 660313073 /nfs/dbraw/zinc/31/30/73/660313073.db2.gz DAVPTJHZZSPHJE-UHFFFAOYSA-N 1 0 382.267 1.547 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000476195409 647773103 /nfs/dbraw/zinc/77/31/03/647773103.db2.gz RBHUEASACUIWQZ-MRXNPFEDSA-N 1 0 392.905 1.100 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000476325097 647777678 /nfs/dbraw/zinc/77/76/78/647777678.db2.gz YBTUIPCOXYPADQ-UHFFFAOYSA-N 1 0 395.301 1.839 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)Cc1ncsc1Br)C[NH+](C)C ZINC000921635548 660317542 /nfs/dbraw/zinc/31/75/42/660317542.db2.gz LJKVFXVPMFFCHQ-VIFPVBQESA-N 1 0 386.337 1.292 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000476951002 647790640 /nfs/dbraw/zinc/79/06/40/647790640.db2.gz JAOAQTGFJRAABD-UHFFFAOYSA-N 1 0 387.933 1.501 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C[NH+](C)C ZINC000921637945 660317936 /nfs/dbraw/zinc/31/79/36/660317936.db2.gz YABZAWCMSDXDAY-CYBMUJFWSA-N 1 0 384.420 1.873 20 0 GDADRO CCO[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1)C[NH+](C)C ZINC000921645363 660318581 /nfs/dbraw/zinc/31/85/81/660318581.db2.gz STUHQXGHNVRTOL-CQSZACIVSA-N 1 0 379.320 1.835 20 0 GDADRO CN(C)S(=O)(=O)NCCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000921669967 660321254 /nfs/dbraw/zinc/32/12/54/660321254.db2.gz GWXCHHIQXWUTAS-UHFFFAOYSA-N 1 0 378.539 1.105 20 0 GDADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000479358315 647828834 /nfs/dbraw/zinc/82/88/34/647828834.db2.gz LTGWUAJCRDNHEJ-ZDUSSCGKSA-N 1 0 389.543 1.025 20 0 GDADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000479419507 647831474 /nfs/dbraw/zinc/83/14/74/647831474.db2.gz PQPGFVDBDKQMNV-NFOMZHRRSA-N 1 0 388.555 1.957 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000479781034 647835890 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CC[C@H](C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1)[NH+](CC)CC ZINC000489761194 647982803 /nfs/dbraw/zinc/98/28/03/647982803.db2.gz KEZUCOVVDQLPAX-JKSUJKDBSA-N 1 0 377.551 1.006 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000494049045 648003171 /nfs/dbraw/zinc/00/31/71/648003171.db2.gz MSFBPCMRHHUFOJ-OCCSQVGLSA-N 1 0 379.507 1.788 20 0 GDADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000495340530 648012290 /nfs/dbraw/zinc/01/22/90/648012290.db2.gz TXDWBQKBGCJVGY-YCPHGPKFSA-N 1 0 385.302 1.341 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000495699961 648014965 /nfs/dbraw/zinc/01/49/65/648014965.db2.gz GZTKZJIYFNMTFE-LBPRGKRZSA-N 1 0 384.274 1.107 20 0 GDADRO Cc1ccc(O[C@@H](C)C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000495766723 648015544 /nfs/dbraw/zinc/01/55/44/648015544.db2.gz UAKYGQLBEJJCOW-ZDUSSCGKSA-N 1 0 398.301 1.415 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)CCNS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000496688672 648019273 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GDADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000515223390 648486229 /nfs/dbraw/zinc/48/62/29/648486229.db2.gz SAFYUGUAJDDTPS-BXUZGUMPSA-N 1 0 387.267 1.386 20 0 GDADRO OCCCN1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000515383338 648493614 /nfs/dbraw/zinc/49/36/14/648493614.db2.gz CMAQCPZVXMNVCB-CVEARBPZSA-N 1 0 387.318 1.625 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000515413245 648494820 /nfs/dbraw/zinc/49/48/20/648494820.db2.gz CMPJBGFKAPYWET-OKILXGFUSA-N 1 0 392.297 1.320 20 0 GDADRO NS(=O)(=O)c1ccccc1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000515498494 648497431 /nfs/dbraw/zinc/49/74/31/648497431.db2.gz HNKIBPXWXGNHJA-OAHLLOKOSA-N 1 0 383.539 1.168 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000515752251 648506555 /nfs/dbraw/zinc/50/65/55/648506555.db2.gz DXKPCBLIUOUKOJ-AWEZNQCLSA-N 1 0 375.535 1.359 20 0 GDADRO CC[NH2+]CCCNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000516288222 648520410 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C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ncc(Br)cn2)[C@@H](C)C1 ZINC000517015407 648550590 /nfs/dbraw/zinc/55/05/90/648550590.db2.gz KFKYLISBYZQZTD-SRVKXCTJSA-N 1 0 386.294 1.397 20 0 GDADRO O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000517020410 648550921 /nfs/dbraw/zinc/55/09/21/648550921.db2.gz FJRANAWXIZNBTH-LBPRGKRZSA-N 1 0 377.432 1.410 20 0 GDADRO O=C(NCCOc1cccc(Cl)c1Cl)NCC(=O)N1CC[NH2+]CC1 ZINC000517019163 648550984 /nfs/dbraw/zinc/55/09/84/648550984.db2.gz AHUUNDRTEVKADI-UHFFFAOYSA-N 1 0 375.256 1.103 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000517040563 648552655 /nfs/dbraw/zinc/55/26/55/648552655.db2.gz SIPCIDHYRAUXRA-UHFFFAOYSA-N 1 0 385.873 1.784 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000517144122 648556077 /nfs/dbraw/zinc/55/60/77/648556077.db2.gz HOCRSJWBIRQWHU-NWDGAFQWSA-N 1 0 387.889 1.537 20 0 GDADRO Cc1ccc(I)cc1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000517243512 648561578 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CN1CCN(c2ncc(Br)cc2NC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000579929600 651886042 /nfs/dbraw/zinc/88/60/42/651886042.db2.gz KMJXWUSFNNBBAP-ZDUSSCGKSA-N 1 0 397.321 1.455 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cscc2Br)C1 ZINC000579941023 651886952 /nfs/dbraw/zinc/88/69/52/651886952.db2.gz ZNNRFYYVRYIPKF-LLVKDONJSA-N 1 0 382.349 1.871 20 0 GDADRO CN(CC(=O)NCC(=O)Nc1ccccc1Br)C1(C[NH3+])CCC1 ZINC000579953507 651888227 /nfs/dbraw/zinc/88/82/27/651888227.db2.gz LLOAGYWKFSKWSR-UHFFFAOYSA-N 1 0 383.290 1.317 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000580310200 651910696 /nfs/dbraw/zinc/91/06/96/651910696.db2.gz AKKCNYYTLHYNLB-GFCCVEGCSA-N 1 0 375.441 1.234 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000580326476 651912907 /nfs/dbraw/zinc/91/29/07/651912907.db2.gz SAGAJOQNUSAWID-LBPRGKRZSA-N 1 0 398.273 1.791 20 0 GDADRO CCOc1c(Br)cc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1OC ZINC000580467145 651918744 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GDADRO CC(C)[C@](C)(C[NH3+])NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000581370694 651975488 /nfs/dbraw/zinc/97/54/88/651975488.db2.gz XDJMMAJVFSTZEM-AWEZNQCLSA-N 1 0 382.313 1.761 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000581498539 651978490 /nfs/dbraw/zinc/97/84/90/651978490.db2.gz BLCAHOYHAYIXPG-LKFCYVNXSA-N 1 0 390.303 1.590 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000581944609 651981241 /nfs/dbraw/zinc/98/12/41/651981241.db2.gz CMPGTPYYZAAPED-GHMZBOCLSA-N 1 0 389.315 1.983 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000581944346 651981390 /nfs/dbraw/zinc/98/13/90/651981390.db2.gz JLHRTOACDUJQCC-SFYZADRCSA-N 1 0 387.811 1.489 20 0 GDADRO C[C@@H](NC(=O)c1[nH]c2ccccc2c1Br)C(=O)NCC[NH+](C)C ZINC000582387856 651992894 /nfs/dbraw/zinc/99/28/94/651992894.db2.gz OJJATILJRICCRH-SNVBAGLBSA-N 1 0 381.274 1.727 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1 ZINC000582474237 651998489 /nfs/dbraw/zinc/99/84/89/651998489.db2.gz PZZMWXFRXOCHFS-CQSZACIVSA-N 1 0 385.917 1.515 20 0 GDADRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000582775663 652014500 /nfs/dbraw/zinc/01/45/00/652014500.db2.gz SJHHVWHHNMUBQA-CJNGLKHVSA-N 1 0 378.881 1.897 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000582904165 652020370 /nfs/dbraw/zinc/02/03/70/652020370.db2.gz FNHZUGHPBXKBOH-JTQLQIEISA-N 1 0 378.292 1.167 20 0 GDADRO NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000583618528 652043392 /nfs/dbraw/zinc/04/33/92/652043392.db2.gz LSOSBWNIEGQQHN-MRXNPFEDSA-N 1 0 383.495 1.093 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000583698929 652045245 /nfs/dbraw/zinc/04/52/45/652045245.db2.gz VMMLWECAMHBIPO-INIZCTEOSA-N 1 0 381.318 1.763 20 0 GDADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000583935340 652050758 /nfs/dbraw/zinc/05/07/58/652050758.db2.gz HRMNCZGBDXDCHL-JTQLQIEISA-N 1 0 380.242 1.747 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000584114346 652055021 /nfs/dbraw/zinc/05/50/21/652055021.db2.gz ZYDZICJBGRTZCS-HNNXBMFYSA-N 1 0 384.274 1.270 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000584157972 652057980 /nfs/dbraw/zinc/05/79/80/652057980.db2.gz VDWFRIVWIMUYOM-UHFFFAOYSA-N 1 0 399.333 1.984 20 0 GDADRO [NH3+][C@H](CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br)C1CC1 ZINC000584400525 652068229 /nfs/dbraw/zinc/06/82/29/652068229.db2.gz SBUXWDQAVKQCEX-ZIAGYGMSSA-N 1 0 381.274 1.369 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)s1 ZINC000584460421 652071528 /nfs/dbraw/zinc/07/15/28/652071528.db2.gz FKDVYVDSRUCHEQ-QWHCGFSZSA-N 1 0 384.458 1.356 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c2ncccc12 ZINC000590751135 652144792 /nfs/dbraw/zinc/14/47/92/652144792.db2.gz JFDLLJFTBXCXCV-HIFRSBDPSA-N 1 0 381.523 1.910 20 0 GDADRO COC(=O)[C@@H]1CN(Cc2cn3cc(Br)ccc3n2)CC[N@H+](C)C1 ZINC000591044943 652155713 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COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC2(C[NH3+])CC2)c1OC ZINC000593730920 652244935 /nfs/dbraw/zinc/24/49/35/652244935.db2.gz NUSQAYBBIYTPFV-UHFFFAOYSA-N 1 0 376.862 1.543 20 0 GDADRO COC(=O)C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000593902241 652260965 /nfs/dbraw/zinc/26/09/65/652260965.db2.gz QYRIDQAKOOELCW-KBPBESRZSA-N 1 0 386.290 1.449 20 0 GDADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H](N)CC[NH+](C)C ZINC000593905958 652261428 /nfs/dbraw/zinc/26/14/28/652261428.db2.gz PXDOJLHHGWKWRR-GJZGRUSLSA-N 1 0 390.311 1.863 20 0 GDADRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ncc(I)s1)C2 ZINC000594516491 652309445 /nfs/dbraw/zinc/30/94/45/652309445.db2.gz RTLOAHKFSHPXAN-ZETCQYMHSA-N 1 0 375.239 1.523 20 0 GDADRO C[C@H]1SCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH]cn2)[C@@H]1C ZINC000594639077 652341402 /nfs/dbraw/zinc/34/14/02/652341402.db2.gz RDDDRDQLXWBJEN-VXGBXAGGSA-N 1 0 396.560 1.087 20 0 GDADRO [NH3+][C@@H](CO)c1cn(Cc2ccc(I)c(Cl)c2)nn1 ZINC000594654441 652342390 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C[NH2+]C[C@@H](C)NC(=O)NCCOc1ccc(I)cc1 ZINC000595263632 652400507 /nfs/dbraw/zinc/40/05/07/652400507.db2.gz VZGYWGKIFFOPHE-SNVBAGLBSA-N 1 0 377.226 1.577 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3ccc(Br)c(F)c3)CCN2C1=O ZINC000595265390 652401016 /nfs/dbraw/zinc/40/10/16/652401016.db2.gz KQXSFGPLHJKQRN-GWCFXTLKSA-N 1 0 385.237 1.042 20 0 GDADRO COC(=O)[C@@H](c1ccccc1Br)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000595298529 652401972 /nfs/dbraw/zinc/40/19/72/652401972.db2.gz QWJTXGJUWAZNKI-MRXNPFEDSA-N 1 0 398.301 1.369 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)C1 ZINC000595354974 652411442 /nfs/dbraw/zinc/41/14/42/652411442.db2.gz QDPQRLUEVDOGAK-GFCCVEGCSA-N 1 0 390.889 1.898 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)c2sc3c(c2I)CNC3)C1 ZINC000595919149 652426479 /nfs/dbraw/zinc/42/64/79/652426479.db2.gz JOZSVQOZIGNDMS-MRVPVSSYSA-N 1 0 391.278 1.780 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)c1sc2c(c1I)CNC2 ZINC000595919671 652426890 /nfs/dbraw/zinc/42/68/90/652426890.db2.gz 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GDADRO [NH3+]CCCCn1cc(CN2C(=O)C(=O)c3cc(Br)ccc32)nn1 ZINC000630587355 653217992 /nfs/dbraw/zinc/21/79/92/653217992.db2.gz ZWBVZCRHYDPBLA-UHFFFAOYSA-N 1 0 378.230 1.509 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)COc2ccc(Br)cn2)C[C@@H](C)O1 ZINC000630631489 653219166 /nfs/dbraw/zinc/21/91/66/653219166.db2.gz ZUHOTWFWJOPXOZ-CHWSQXEVSA-N 1 0 386.290 1.838 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000630945686 653227494 /nfs/dbraw/zinc/22/74/94/653227494.db2.gz MEVVLSQFZMXDEY-STQMWFEESA-N 1 0 384.274 1.529 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2cncc(Br)c2n1 ZINC000630949427 653227816 /nfs/dbraw/zinc/22/78/16/653227816.db2.gz ZPZBQQFIMGBNAK-LBPRGKRZSA-N 1 0 392.301 1.758 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000631275261 653233190 /nfs/dbraw/zinc/23/31/90/653233190.db2.gz CMHWEHWBZYAWEH-LLVKDONJSA-N 1 0 385.306 1.471 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000631708175 653245245 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COc1ccc(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000631916619 653269623 /nfs/dbraw/zinc/26/96/23/653269623.db2.gz AAHHSQHBJBBEDQ-UHFFFAOYSA-N 1 0 381.420 1.732 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000631917864 653270367 /nfs/dbraw/zinc/27/03/67/653270367.db2.gz QBOBGJKORUHIPM-AWEZNQCLSA-N 1 0 388.917 1.296 20 0 GDADRO Cc1ccc(Cl)cc1N1CC[C@@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631918005 653270385 /nfs/dbraw/zinc/27/03/85/653270385.db2.gz ZQYVGODATXVXBZ-HOCLYGCPSA-N 1 0 387.933 1.383 20 0 GDADRO Cc1ccc(Cl)cc1N1CC[C@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631918006 653270451 /nfs/dbraw/zinc/27/04/51/653270451.db2.gz ZQYVGODATXVXBZ-ZBFHGGJFSA-N 1 0 387.933 1.383 20 0 GDADRO Cc1ccc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)c(OCC(F)(F)F)c1 ZINC000631925977 653272106 /nfs/dbraw/zinc/27/21/06/653272106.db2.gz KMLWBTGPVCZYAN-ZDUSSCGKSA-N 1 0 382.404 1.344 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000631928098 653272835 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C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000632068312 653299654 /nfs/dbraw/zinc/29/96/54/653299654.db2.gz ARJJAYXSXHVUPU-GJZGRUSLSA-N 1 0 385.496 1.912 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCSC3(CCCCC3)C2)CC1 ZINC000632079246 653301667 /nfs/dbraw/zinc/30/16/67/653301667.db2.gz NMFDWFADEKZDLE-UHFFFAOYSA-N 1 0 375.604 1.705 20 0 GDADRO Cc1cc(S(=O)(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000632243872 653322711 /nfs/dbraw/zinc/32/27/11/653322711.db2.gz AIYOOOHOCOEBAY-QGZVFWFLSA-N 1 0 381.523 1.709 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)N[C@H](CO)c2ccc(Br)cc2)cn1 ZINC000632267439 653326480 /nfs/dbraw/zinc/32/64/80/653326480.db2.gz FXLGLIDDBGXWTN-OAHLLOKOSA-N 1 0 381.274 1.671 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000632332294 653338412 /nfs/dbraw/zinc/33/84/12/653338412.db2.gz ILWWFXJCAKNCOB-STQMWFEESA-N 1 0 381.523 1.847 20 0 GDADRO C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)[C@H]1OCCc2sccc21 ZINC000632362383 653345640 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CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633079221 653426132 /nfs/dbraw/zinc/42/61/32/653426132.db2.gz RRVSHHBDCPWYCK-TZMCWYRMSA-N 1 0 382.302 1.851 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000633108361 653427914 /nfs/dbraw/zinc/42/79/14/653427914.db2.gz FTFSTNFGYCBBMT-UHFFFAOYSA-N 1 0 384.249 1.496 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)cn1 ZINC000633188822 653431526 /nfs/dbraw/zinc/43/15/26/653431526.db2.gz QNFBUPKNIDJQBK-OAHLLOKOSA-N 1 0 399.264 1.810 20 0 GDADRO O=C(COc1ccc(Br)cn1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000633410681 653442810 /nfs/dbraw/zinc/44/28/10/653442810.db2.gz RLULLLWYJMNFHB-UHFFFAOYSA-N 1 0 398.301 1.936 20 0 GDADRO Cc1ccc(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)cc1Br ZINC000634561515 653494775 /nfs/dbraw/zinc/49/47/75/653494775.db2.gz GZMJOSWKMONMGF-UHFFFAOYSA-N 1 0 376.320 1.776 20 0 GDADRO Cn1cc(C[C@H](CO)C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)cn1 ZINC000634722332 653497315 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386.279 1.982 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)s1 ZINC000638317893 653537992 /nfs/dbraw/zinc/53/79/92/653537992.db2.gz VJYQZKRYFJHGAW-HNNXBMFYSA-N 1 0 381.523 1.386 20 0 GDADRO [NH3+]C1(CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CCOCC1 ZINC000638538059 653539160 /nfs/dbraw/zinc/53/91/60/653539160.db2.gz YSYHYQZUHXZUKL-UHFFFAOYSA-N 1 0 379.258 1.873 20 0 GDADRO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638560729 653540121 /nfs/dbraw/zinc/54/01/21/653540121.db2.gz XKJJGWVXDZXDRN-CYZMBNFOSA-N 1 0 385.452 1.079 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000638572381 653540465 /nfs/dbraw/zinc/54/04/65/653540465.db2.gz KASNKJJQNAINKU-BIGNPOOSSA-N 1 0 394.269 1.690 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNCc2cnn3cc(Br)cnc23)C1 ZINC000638571148 653540596 /nfs/dbraw/zinc/54/05/96/653540596.db2.gz GLVKABOWWHIBMQ-GFCCVEGCSA-N 1 0 395.305 1.169 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000638587015 653540954 /nfs/dbraw/zinc/54/09/54/653540954.db2.gz IHHKQDGEGVFTJG-UHFFFAOYSA-N 1 0 381.274 1.943 20 0 GDADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638596964 653541565 /nfs/dbraw/zinc/54/15/65/653541565.db2.gz VLFGQOZGZXUEGH-CPUCHLNUSA-N 1 0 378.270 1.670 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)C[NH2+]1 ZINC000638648259 653541795 /nfs/dbraw/zinc/54/17/95/653541795.db2.gz KSDJYQZJQAZSAY-RYUDHWBXSA-N 1 0 389.568 1.356 20 0 GDADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638781391 653543477 /nfs/dbraw/zinc/54/34/77/653543477.db2.gz DHZYHAJNZIOTCH-CYBMUJFWSA-N 1 0 384.274 1.780 20 0 GDADRO CC(C)(O)C[NH+]1CCC(N[C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000639124421 653547096 /nfs/dbraw/zinc/54/70/96/653547096.db2.gz UBYOCFAKPUHJQD-OAHLLOKOSA-N 1 0 384.318 1.800 20 0 GDADRO CO[C@H](C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CCOC1 ZINC000639134898 653547268 /nfs/dbraw/zinc/54/72/68/653547268.db2.gz AFCOWPVMGOXXEQ-SMDDNHRTSA-N 1 0 380.869 1.399 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639238503 653548168 /nfs/dbraw/zinc/54/81/68/653548168.db2.gz VSXPQSWZCXESML-IUODEOHRSA-N 1 0 385.302 1.867 20 0 GDADRO CN(Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@@H]1CCC[N@@H+]1C ZINC000639290971 653549215 /nfs/dbraw/zinc/54/92/15/653549215.db2.gz GWNWJRCPIRTSOF-LBPRGKRZSA-N 1 0 376.320 1.623 20 0 GDADRO CN(C1CC[NH+](CCc2cccc3c2OC(F)(F)O3)CC1)S(C)(=O)=O ZINC000639534949 653551774 /nfs/dbraw/zinc/55/17/74/653551774.db2.gz GMGSFUAUEHSIFD-UHFFFAOYSA-N 1 0 376.425 1.906 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)s1 ZINC000639763091 653552735 /nfs/dbraw/zinc/55/27/35/653552735.db2.gz ASMGPAWOLTTYTH-HOCLYGCPSA-N 1 0 388.555 1.798 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)nn1 ZINC000640984133 653561794 /nfs/dbraw/zinc/56/17/94/653561794.db2.gz IRCXFQIXQZFHDU-AWEZNQCLSA-N 1 0 386.283 1.760 20 0 GDADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc(CC[C@H](O)C[NH3+])nn1 ZINC000640984746 653561822 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20 0 GDADRO O=S(=O)(c1ccc2c(c1)CS(=O)(=O)C2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000652370180 653889126 /nfs/dbraw/zinc/88/91/26/653889126.db2.gz VHTOLCXGWYJEPS-AWEZNQCLSA-N 1 0 384.523 1.125 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C[C@H]1C[NH3+] ZINC000652636794 653894756 /nfs/dbraw/zinc/89/47/56/653894756.db2.gz ZIPLCCZREPMQEA-IUODEOHRSA-N 1 0 396.285 1.160 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)C[C@H]1C[NH3+] ZINC000652635945 653894792 /nfs/dbraw/zinc/89/47/92/653894792.db2.gz OACSMNMQZXRARF-YMTOWFKASA-N 1 0 390.267 1.763 20 0 GDADRO CC[C@@H](NC(=O)C(=O)NCCC1(C[NH3+])CC1)c1nc(C(F)(F)F)cs1 ZINC000652673976 653895944 /nfs/dbraw/zinc/89/59/44/653895944.db2.gz GYJCJIIGCSPKHG-SECBINFHSA-N 1 0 378.420 1.974 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652681385 653896714 /nfs/dbraw/zinc/89/67/14/653896714.db2.gz IPSDVYUPDAYLRH-UHFFFAOYSA-N 1 0 398.301 1.661 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000652714755 653897087 /nfs/dbraw/zinc/89/70/87/653897087.db2.gz RBBUHKOYXCTIDG-CQSZACIVSA-N 1 0 395.301 1.753 20 0 GDADRO O=C(N1CCO[C@H](c2ccc(Br)cc2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653077988 653905285 /nfs/dbraw/zinc/90/52/85/653905285.db2.gz QZZOYRGTXYEFIF-QRTARXTBSA-N 1 0 381.270 1.585 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)C2=O)ccc1Br ZINC000653155280 653907136 /nfs/dbraw/zinc/90/71/36/653907136.db2.gz NVIQNIYWEXVUQH-HUUCEWRRSA-N 1 0 397.317 1.258 20 0 GDADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1cccc(Br)c1)C2 ZINC000653197411 653907833 /nfs/dbraw/zinc/90/78/33/653907833.db2.gz DBFVOPNNDSYHIJ-GUYCJALGSA-N 1 0 380.286 1.766 20 0 GDADRO C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)[C@@H]1CC[NH3+] ZINC000653243727 653908945 /nfs/dbraw/zinc/90/89/45/653908945.db2.gz LPZOEQPBPQJOGX-UKRRQHHQSA-N 1 0 387.933 1.984 20 0 GDADRO CN1C[C@@H]([NH2+][C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CCC1=O ZINC000653285671 653909491 /nfs/dbraw/zinc/90/94/91/653909491.db2.gz VNHKSEDYCQPRII-AAEUAGOBSA-N 1 0 380.242 1.291 20 0 GDADRO O=C(N[C@H](c1nccs1)C(F)(F)F)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000653385219 653912433 /nfs/dbraw/zinc/91/24/33/653912433.db2.gz IAEBCYTYVOIXFI-QJPTWQEYSA-N 1 0 378.420 1.987 20 0 GDADRO Cn1cnnc1N1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000653817392 653922976 /nfs/dbraw/zinc/92/29/76/653922976.db2.gz HKRAUFPMIGDVNI-UHFFFAOYSA-N 1 0 393.289 1.728 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000654308062 653933401 /nfs/dbraw/zinc/93/34/01/653933401.db2.gz VOZZMHCTSFPQCS-LSDHHAIUSA-N 1 0 385.555 1.587 20 0 GDADRO CO[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)c1ccccc1Br ZINC000654403851 653935445 /nfs/dbraw/zinc/93/54/45/653935445.db2.gz JTVNQPJEGUJDSG-MRXNPFEDSA-N 1 0 384.318 1.890 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000654504074 653939490 /nfs/dbraw/zinc/93/94/90/653939490.db2.gz SKUPTAQPFYHUHH-PHIMTYICSA-N 1 0 394.950 1.319 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654577600 653941742 /nfs/dbraw/zinc/94/17/42/653941742.db2.gz VHSFFUUUKVDXRS-LSDHHAIUSA-N 1 0 397.317 1.927 20 0 GDADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC000655145710 653959885 /nfs/dbraw/zinc/95/98/85/653959885.db2.gz SQLSLOAJPSCVAG-SJORKVTESA-N 1 0 386.583 1.630 20 0 GDADRO CO[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1Br ZINC000655413738 653969164 /nfs/dbraw/zinc/96/91/64/653969164.db2.gz HQMVYOPJFAFXRW-DOMZBBRYSA-N 1 0 398.301 1.450 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N2CCOc3cccc(Br)c3C2)nn1 ZINC000655505071 653971761 /nfs/dbraw/zinc/97/17/61/653971761.db2.gz YLZAZDVMHNJBOU-UHFFFAOYSA-N 1 0 380.246 1.424 20 0 GDADRO COCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(Br)c2C)C1 ZINC000655560047 653976049 /nfs/dbraw/zinc/97/60/49/653976049.db2.gz UQHVYUVSMROBHW-AWEZNQCLSA-N 1 0 391.331 1.898 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)cnc2c1Cl ZINC000655670170 653987822 /nfs/dbraw/zinc/98/78/22/653987822.db2.gz VOQMZQCPHDGWNU-UONOGXRCSA-N 1 0 383.905 1.986 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1)C(F)(F)F ZINC000655925789 653994355 /nfs/dbraw/zinc/99/43/55/653994355.db2.gz AZKDZEKASNYARU-RKDXNWHRSA-N 1 0 378.317 1.366 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](CO)Cc1ccccc1Br)C(F)(F)F ZINC000655928299 653994676 /nfs/dbraw/zinc/99/46/76/653994676.db2.gz KXYDGXCZHOLVJX-JOYOIKCWSA-N 1 0 398.223 1.789 20 0 GDADRO NC(=O)[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000655929885 653994816 /nfs/dbraw/zinc/99/48/16/653994816.db2.gz XOQPEVCHRYOFLX-IUCAKERBSA-N 1 0 383.168 1.164 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)C(F)(F)F ZINC000655956882 653995991 /nfs/dbraw/zinc/99/59/91/653995991.db2.gz HGHGDYSYTUADTE-QMMMGPOBSA-N 1 0 395.179 1.666 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F)C(F)(F)F ZINC000655957141 653996158 /nfs/dbraw/zinc/99/61/58/653996158.db2.gz PLJPNSNRRRYREY-QMMMGPOBSA-N 1 0 389.708 1.928 20 0 GDADRO CSc1cc2c(cc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)OCCO2 ZINC000655958756 653996362 /nfs/dbraw/zinc/99/63/62/653996362.db2.gz OLJUEHQRVZVHFS-NSHDSACASA-N 1 0 379.360 1.124 20 0 GDADRO COCCOc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1Cl ZINC000655958878 653996753 /nfs/dbraw/zinc/99/67/53/653996753.db2.gz MAYYGZFESIAKSL-NSHDSACASA-N 1 0 383.754 1.310 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000656023709 654000176 /nfs/dbraw/zinc/00/01/76/654000176.db2.gz HNEJZWJCMYOOMM-IUODEOHRSA-N 1 0 380.286 1.584 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000656066725 654001227 /nfs/dbraw/zinc/00/12/27/654001227.db2.gz BEORXVXFPGHTQB-XBXGTLAGSA-N 1 0 394.313 1.790 20 0 GDADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCn1cc(Br)ccc1=O ZINC000656093325 654002402 /nfs/dbraw/zinc/00/24/02/654002402.db2.gz LWMQCZKBMFHVHD-AWEZNQCLSA-N 1 0 385.306 1.592 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000656292354 654012932 /nfs/dbraw/zinc/01/29/32/654012932.db2.gz UTDLEDYAKDLCQE-OTVXOJSOSA-N 1 0 382.302 1.564 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](F)C2)c(C)c[nH+]1 ZINC000656387831 654027989 /nfs/dbraw/zinc/02/79/89/654027989.db2.gz QRRKAWRFWCZPDJ-CQSZACIVSA-N 1 0 393.506 1.016 20 0 GDADRO O=C1COc2ccc(Br)cc2N1Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467022 654031273 /nfs/dbraw/zinc/03/12/73/654031273.db2.gz JJIUKJYGDKKMDM-ZDUSSCGKSA-N 1 0 392.257 1.891 20 0 GDADRO CO[C@H](CS(=O)(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000656875338 654061347 /nfs/dbraw/zinc/06/13/47/654061347.db2.gz HHZPGPGSBKAHAR-XWTMOSNGSA-N 1 0 376.563 1.715 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2C1 ZINC000656914694 654071169 /nfs/dbraw/zinc/07/11/69/654071169.db2.gz HZXBTNLZECXVBE-WFASDCNBSA-N 1 0 385.555 1.613 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000656914885 654071178 /nfs/dbraw/zinc/07/11/78/654071178.db2.gz WTIJNOUGXRGZEE-UHFFFAOYSA-N 1 0 392.319 1.311 20 0 GDADRO CO[C@H](CS(=O)(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000656919160 654072119 /nfs/dbraw/zinc/07/21/19/654072119.db2.gz RAWMHERLJICYST-FUHWJXTLSA-N 1 0 375.579 1.385 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000657071187 654107459 /nfs/dbraw/zinc/10/74/59/654107459.db2.gz IPBLMGOTFDWRHY-ZDUSSCGKSA-N 1 0 377.938 1.899 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1F ZINC000657091431 654108136 /nfs/dbraw/zinc/10/81/36/654108136.db2.gz NKVKJDLEVLSJMZ-LBPRGKRZSA-N 1 0 395.522 1.594 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000657093239 654109218 /nfs/dbraw/zinc/10/92/18/654109218.db2.gz RLCZOASGYFHRLF-UHFFFAOYSA-N 1 0 383.436 1.747 20 0 GDADRO COc1cc(C)c(S(=O)(=O)NCCN(C)CCC[NH+](C)C)cc1Cl ZINC000657092974 654109392 /nfs/dbraw/zinc/10/93/92/654109392.db2.gz VLRKJQQZLFWBEM-UHFFFAOYSA-N 1 0 377.938 1.819 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CSCc3ccc(Br)cc32)c(=O)n(C)c1=O ZINC000657641319 654152155 /nfs/dbraw/zinc/15/21/55/654152155.db2.gz CWVGVTBBFZEZMM-AWEZNQCLSA-N 1 0 396.310 1.924 20 0 GDADRO COc1ncc(NC(=O)C(=O)NCC[NH+]2CCCC2)c(C)c1Br ZINC000657650961 654152913 /nfs/dbraw/zinc/15/29/13/654152913.db2.gz ZMUXRTQKAUKCOB-UHFFFAOYSA-N 1 0 385.262 1.312 20 0 GDADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657650704 654152981 /nfs/dbraw/zinc/15/29/81/654152981.db2.gz RYIBNPUJASKFGQ-UHFFFAOYSA-N 1 0 376.201 1.878 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000657657141 654153997 /nfs/dbraw/zinc/15/39/97/654153997.db2.gz TVOXUBUOEVWLBY-MRVPVSSYSA-N 1 0 376.201 1.734 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)cc1Br ZINC000657700578 654156696 /nfs/dbraw/zinc/15/66/96/654156696.db2.gz YHJUPTMMJWQNBP-UHFFFAOYSA-N 1 0 389.315 1.737 20 0 GDADRO CSc1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000657712023 654158166 /nfs/dbraw/zinc/15/81/66/654158166.db2.gz MSBXTYBIVNWZFE-GFCCVEGCSA-N 1 0 384.933 1.753 20 0 GDADRO CCN(C(=O)C(=O)Nc1ccc(OC)cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000658354410 654185043 /nfs/dbraw/zinc/18/50/43/654185043.db2.gz 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C[NH+](C)CC[C@@H](NC(=S)NCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C ZINC000734764779 654539914 /nfs/dbraw/zinc/53/99/14/654539914.db2.gz CSQSGCVMKWETSG-OAHLLOKOSA-N 1 0 386.587 1.665 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000671820935 654545126 /nfs/dbraw/zinc/54/51/26/654545126.db2.gz XPTNZANGNQMMHP-LLVKDONJSA-N 1 0 386.290 1.530 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000672006684 654549249 /nfs/dbraw/zinc/54/92/49/654549249.db2.gz NSJDYXUZBZYAOF-CYBMUJFWSA-N 1 0 384.274 1.284 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000672693756 654562246 /nfs/dbraw/zinc/56/22/46/654562246.db2.gz ZNHTXOLBCVQVFK-JTQLQIEISA-N 1 0 378.420 1.769 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C[C@@H]1C ZINC000673695718 654581323 /nfs/dbraw/zinc/58/13/23/654581323.db2.gz AXJDONBGUIWMMV-WDEREUQCSA-N 1 0 381.420 1.244 20 0 GDADRO COc1cc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)ccc1S(=O)(=O)C(F)F ZINC000773104475 654581842 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C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)C1 ZINC000774167399 654614658 /nfs/dbraw/zinc/61/46/58/654614658.db2.gz XYRQENMACIDTCU-FTJNGKRUSA-N 1 0 377.388 1.463 20 0 GDADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774663782 654634977 /nfs/dbraw/zinc/63/49/77/654634977.db2.gz ODTHGUOPGDPOOH-ZIAGYGMSSA-N 1 0 386.279 1.589 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12)[NH+]1CCCCC1 ZINC000774888753 654645181 /nfs/dbraw/zinc/64/51/81/654645181.db2.gz JAJHMMREMWJJGS-RBSFLKMASA-N 1 0 385.599 1.863 20 0 GDADRO C[N@H+](CCN1CCCS1(=O)=O)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000676627071 654647066 /nfs/dbraw/zinc/64/70/66/654647066.db2.gz MKOVRUBLBMGRLQ-OAHLLOKOSA-N 1 0 380.432 1.576 20 0 GDADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)s1 ZINC000676846530 654651358 /nfs/dbraw/zinc/65/13/58/654651358.db2.gz XGTCYFONEDUAIW-LBPRGKRZSA-N 1 0 389.543 1.070 20 0 GDADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000775132715 654654255 /nfs/dbraw/zinc/65/42/55/654654255.db2.gz BGVIAWDUJLYVJK-LLVKDONJSA-N 1 0 388.299 1.788 20 0 GDADRO CC(C)[NH+]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000677021731 654659501 /nfs/dbraw/zinc/65/95/01/654659501.db2.gz MVHCOBLQJDJZIH-UHFFFAOYSA-N 1 0 394.950 1.415 20 0 GDADRO Cc1ncc(S(=O)(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000677238850 654663464 /nfs/dbraw/zinc/66/34/64/654663464.db2.gz FYIUNQLBFFHULJ-INIZCTEOSA-N 1 0 380.539 1.719 20 0 GDADRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000740005460 654667153 /nfs/dbraw/zinc/66/71/53/654667153.db2.gz CYMDUHXHGODWLR-NQBHXWOUSA-N 1 0 381.951 1.407 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)sc1C ZINC000677660944 654673194 /nfs/dbraw/zinc/67/31/94/654673194.db2.gz LEFUOKVNXHXARO-UHFFFAOYSA-N 1 0 386.587 1.939 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCOCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000776311051 654687152 /nfs/dbraw/zinc/68/71/52/654687152.db2.gz XDXHFROQUGUFFW-ZFWWWQNUSA-N 1 0 390.527 1.632 20 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/nfs/dbraw/zinc/71/26/40/654712640.db2.gz CUJKDMDMRDQXGB-UHFFFAOYSA-N 1 0 379.935 1.611 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCC1CN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000681667941 654735918 /nfs/dbraw/zinc/73/59/18/654735918.db2.gz HZTXOVOSBZQSGM-HNNXBMFYSA-N 1 0 388.921 1.133 20 0 GDADRO O=C(Cc1ccc(Br)cc1O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000682031523 654746182 /nfs/dbraw/zinc/74/61/82/654746182.db2.gz KTOMKCHALMGPJS-LSDHHAIUSA-N 1 0 383.286 1.755 20 0 GDADRO CCOC[C@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000779072996 654754110 /nfs/dbraw/zinc/75/41/10/654754110.db2.gz NADALPQLHCTEPH-STQMWFEESA-N 1 0 378.516 1.488 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)C1 ZINC000779126577 654755482 /nfs/dbraw/zinc/75/54/82/654755482.db2.gz APCMAYVUADAJBQ-KKUMJFAQSA-N 1 0 375.535 1.693 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cn1cc(I)cn1 ZINC000746644755 654766088 /nfs/dbraw/zinc/76/60/88/654766088.db2.gz CBXHJGUWVUFYNO-MGPQQGTHSA-N 1 0 390.269 1.629 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000779764236 654767521 /nfs/dbraw/zinc/76/75/21/654767521.db2.gz SUYPFASSMAOILB-JTQLQIEISA-N 1 0 387.303 1.460 20 0 GDADRO Cc1nc2ccc(C[NH2+][C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cc2s1 ZINC000683145029 654768333 /nfs/dbraw/zinc/76/83/33/654768333.db2.gz FLLXQTMDOLEKHR-CVEARBPZSA-N 1 0 381.523 1.192 20 0 GDADRO Cc1nc2ccc(C[NH2+][C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cc2s1 ZINC000683145041 654768405 /nfs/dbraw/zinc/76/84/05/654768405.db2.gz FLLXQTMDOLEKHR-JKSUJKDBSA-N 1 0 381.523 1.192 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)c(C)n(C)c2=O)C1 ZINC000683397534 654775119 /nfs/dbraw/zinc/77/51/19/654775119.db2.gz HCEWBLAHLAEVQD-GFCCVEGCSA-N 1 0 386.290 1.297 20 0 GDADRO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000747412887 654785116 /nfs/dbraw/zinc/78/51/16/654785116.db2.gz XTBWDHIBDDBJEC-ZDUSSCGKSA-N 1 0 375.535 1.206 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cn(C(C)(C)C)nc1Br ZINC000780485113 654785729 /nfs/dbraw/zinc/78/57/29/654785729.db2.gz HKAANTKBJHGXPU-LBPRGKRZSA-N 1 0 386.338 1.766 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cnc2ncc(Br)cc2c1 ZINC000780521925 654786242 /nfs/dbraw/zinc/78/62/42/654786242.db2.gz ARDNXFMMZZGBSZ-GJZGRUSLSA-N 1 0 391.269 1.985 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)Cn1cnc3ccc(Br)cc3c1=O)C2 ZINC000683908576 654787302 /nfs/dbraw/zinc/78/73/02/654787302.db2.gz VSGBWGQUYQMANC-UHFFFAOYSA-N 1 0 391.269 1.323 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@]1(O)CCSC1 ZINC000747622810 654788050 /nfs/dbraw/zinc/78/80/50/654788050.db2.gz YTYTZNDQEAWFKQ-RISCZKNCSA-N 1 0 379.935 1.162 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000747622308 654788099 /nfs/dbraw/zinc/78/80/99/654788099.db2.gz AESNHLMGUKUHBW-MRXNPFEDSA-N 1 0 383.539 1.297 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc(F)c1F ZINC000780716221 654791817 /nfs/dbraw/zinc/79/18/17/654791817.db2.gz PQVLCJNFJSXPKH-LLVKDONJSA-N 1 0 376.425 1.904 20 0 GDADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1)c1cccs1 ZINC000684193461 654793965 /nfs/dbraw/zinc/79/39/65/654793965.db2.gz AIFQKGICASZJDC-ZDUSSCGKSA-N 1 0 381.527 1.429 20 0 GDADRO O=C(c1c[nH]c2ncc(Br)cc12)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000684277350 654795547 /nfs/dbraw/zinc/79/55/47/654795547.db2.gz DWRPNQBWVABLQE-GJZGRUSLSA-N 1 0 393.285 1.997 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1F ZINC000780867490 654796345 /nfs/dbraw/zinc/79/63/45/654796345.db2.gz KUIIXLPBNWAHSQ-LBPRGKRZSA-N 1 0 393.506 1.350 20 0 GDADRO CC[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684611739 654802711 /nfs/dbraw/zinc/80/27/11/654802711.db2.gz KUUGOTZNUUPNOW-AWEZNQCLSA-N 1 0 394.946 1.724 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CCSC1 ZINC000748564189 654807916 /nfs/dbraw/zinc/80/79/16/654807916.db2.gz GKWKXAZNEMBEAA-MLGOLLRUSA-N 1 0 375.560 1.850 20 0 GDADRO CC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CC1 ZINC000748693172 654810000 /nfs/dbraw/zinc/81/00/00/654810000.db2.gz FSGOOJCOCHHZFV-UHFFFAOYSA-N 1 0 385.917 1.949 20 0 GDADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000749097769 654822188 /nfs/dbraw/zinc/82/21/88/654822188.db2.gz ILPBSJDQBLVNEN-LBPRGKRZSA-N 1 0 389.953 1.285 20 0 GDADRO CC[C@H](Cn1cncn1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000685654821 654824570 /nfs/dbraw/zinc/82/45/70/654824570.db2.gz LFBHKZNFGIYQCH-LLVKDONJSA-N 1 0 392.312 1.932 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000685765445 654826567 /nfs/dbraw/zinc/82/65/67/654826567.db2.gz OAERBNRECDVPJR-CQSZACIVSA-N 1 0 387.933 1.809 20 0 GDADRO C[NH+](C)CC1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC000749388943 654831797 /nfs/dbraw/zinc/83/17/97/654831797.db2.gz CHONHHWSHRBNHF-UHFFFAOYSA-N 1 0 393.289 1.839 20 0 GDADRO CN(C(=O)c1ccc(-n2cc(Br)cn2)nn1)[C@H]1C[NH+]2CCC1CC2 ZINC000749388402 654831952 /nfs/dbraw/zinc/83/19/52/654831952.db2.gz VLNHDNVTDGHLKE-AWEZNQCLSA-N 1 0 391.273 1.591 20 0 GDADRO COc1ncc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000702627352 654832405 /nfs/dbraw/zinc/83/24/05/654832405.db2.gz YYLQMHKFXRESGO-INIZCTEOSA-N 1 0 383.495 1.067 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc(Br)cn3)nn2)CC[N@@H+]1C ZINC000749400779 654832862 /nfs/dbraw/zinc/83/28/62/654832862.db2.gz QDXGBMSPNQHGIF-PWSUYJOCSA-N 1 0 379.262 1.637 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C[C@H]1[NH+]1CCCC1 ZINC000782485186 654833316 /nfs/dbraw/zinc/83/33/16/654833316.db2.gz YRZYUPPCFUOMAR-CVEARBPZSA-N 1 0 382.507 1.557 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C[C@H]1[NH+]1CCCC1 ZINC000782485190 654833352 /nfs/dbraw/zinc/83/33/52/654833352.db2.gz YRZYUPPCFUOMAR-HZPDHXFCSA-N 1 0 382.507 1.557 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749479544 654834532 /nfs/dbraw/zinc/83/45/32/654834532.db2.gz FEBRUAAULVVAMI-OAHLLOKOSA-N 1 0 375.535 1.742 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000710948317 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382.404 1.727 20 0 GDADRO C[C@H](CC(=O)N(C)C1CC[NH+](C)CC1)NS(=O)(=O)c1cccnc1Cl ZINC000760209115 655105177 /nfs/dbraw/zinc/10/51/77/655105177.db2.gz FFAPARSGYLJREK-GFCCVEGCSA-N 1 0 388.921 1.345 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000760215203 655105442 /nfs/dbraw/zinc/10/54/42/655105442.db2.gz BFNXPSFCXGWBCW-OKILXGFUSA-N 1 0 398.349 1.813 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000835488803 655105934 /nfs/dbraw/zinc/10/59/34/655105934.db2.gz GFRQTRWXVPSSSV-GFCCVEGCSA-N 1 0 399.289 1.054 20 0 GDADRO COc1cc(S(=O)(=O)N(C)CCC[N@H+](C)CCN(C)C)cnc1Cl ZINC000808334418 655106756 /nfs/dbraw/zinc/10/67/56/655106756.db2.gz DHACIEUWWMJILC-UHFFFAOYSA-N 1 0 378.926 1.248 20 0 GDADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)c1 ZINC000808334695 655106789 /nfs/dbraw/zinc/10/67/89/655106789.db2.gz SONZDPXDAUKIIB-UHFFFAOYSA-N 1 0 391.921 1.288 20 0 GDADRO Cn1nc(Br)cc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000760396293 655110939 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CC[NH+]1CCN(CCC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000837197645 655170888 /nfs/dbraw/zinc/17/08/88/655170888.db2.gz NCKSQIHYSUTRFE-MRXNPFEDSA-N 1 0 384.318 1.626 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000762817766 655177485 /nfs/dbraw/zinc/17/74/85/655177485.db2.gz LGUXJBKZRWNILF-MRXNPFEDSA-N 1 0 379.258 1.431 20 0 GDADRO O=S(=O)(N1CCC([NH2+]CC2CCC3(CC2)OCCO3)CC1)C(F)(F)F ZINC000795942544 655197261 /nfs/dbraw/zinc/19/72/61/655197261.db2.gz QNVLAVHWHMYVIL-UHFFFAOYSA-N 1 0 386.436 1.823 20 0 GDADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000811600844 655200901 /nfs/dbraw/zinc/20/09/01/655200901.db2.gz OEDXSRHDRMAKRC-JTQLQIEISA-N 1 0 392.319 1.555 20 0 GDADRO COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000812255720 655209990 /nfs/dbraw/zinc/20/99/90/655209990.db2.gz TTXMMSIJCAMFPO-ZDUSSCGKSA-N 1 0 375.535 1.470 20 0 GDADRO CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000796514312 655213571 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O[C@@H](C[NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000819078213 655384753 /nfs/dbraw/zinc/38/47/53/655384753.db2.gz UQMGJGMKOWBQQB-ROUUACIJSA-N 1 0 398.345 1.479 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C[C@@H](O)c2ccccc2Br)C1=O ZINC000819129315 655386773 /nfs/dbraw/zinc/38/67/73/655386773.db2.gz GERAYPPHGYNALT-ZLENFMNRSA-N 1 0 396.285 1.793 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cnc(Cl)c1Br ZINC000843049233 655387256 /nfs/dbraw/zinc/38/72/56/655387256.db2.gz HWYRUYMJCXFTLI-NKWVEPMBSA-N 1 0 377.670 1.986 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2nc3ccccn3c2Br)C1 ZINC000843048010 655387340 /nfs/dbraw/zinc/38/73/40/655387340.db2.gz IYANSNVRILOHKN-GFCCVEGCSA-N 1 0 380.290 1.384 20 0 GDADRO C[C@](O)(CNC[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000843061802 655387620 /nfs/dbraw/zinc/38/76/20/655387620.db2.gz IKOZXUUMWHSHKX-CJNGLKHVSA-N 1 0 375.282 1.842 20 0 GDADRO C[C@@](O)(C[NH2+]CCN1CCC(O)CC1)c1ccc(Br)cc1F ZINC000843074934 655387990 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/nfs/dbraw/zinc/39/58/61/655395861.db2.gz BWXQZOQALMIXGE-VXGBXAGGSA-N 1 0 380.495 1.298 20 0 GDADRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)[C@H]1C ZINC000843474280 655396116 /nfs/dbraw/zinc/39/61/16/655396116.db2.gz VWQRFIKXBAVULK-QWRGUYRKSA-N 1 0 380.495 1.121 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)ccc1Cl ZINC000843484682 655396577 /nfs/dbraw/zinc/39/65/77/655396577.db2.gz VDJVSXZIOFCHDC-JTQLQIEISA-N 1 0 385.820 1.234 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1sc(N2CCCC2)nc1Cl ZINC000844033291 655405611 /nfs/dbraw/zinc/40/56/11/655405611.db2.gz GJTRVMQGUUGGIJ-NSHDSACASA-N 1 0 385.921 1.589 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844397688 655409976 /nfs/dbraw/zinc/40/99/76/655409976.db2.gz ODCMCHCHTUCGEM-GJZGRUSLSA-N 1 0 377.551 1.941 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(C(F)(F)F)cnc2Cl)CC1=O ZINC000844762028 655414427 /nfs/dbraw/zinc/41/44/27/655414427.db2.gz HZDJZUUJHHAELZ-UHFFFAOYSA-N 1 0 378.782 1.600 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000820791169 655416825 /nfs/dbraw/zinc/41/68/25/655416825.db2.gz KFLHEVYYQFYXQJ-UHFFFAOYSA-N 1 0 386.905 1.739 20 0 GDADRO Ic1cc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)cs1 ZINC000844916541 655421063 /nfs/dbraw/zinc/42/10/63/655421063.db2.gz KHVBRTGTGXRVMH-UFBFGSQYSA-N 1 0 389.218 1.890 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCC[C@@H]2CC2(Cl)Cl)C1 ZINC000845005576 655422182 /nfs/dbraw/zinc/42/21/82/655422182.db2.gz NDJMXCSNSKRZKA-CHWSQXEVSA-N 1 0 379.332 1.847 20 0 GDADRO CNC(=O)CN1CCC([NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000821219106 655424581 /nfs/dbraw/zinc/42/45/81/655424581.db2.gz FFHZTUAKUJMNDT-UHFFFAOYSA-N 1 0 375.698 1.798 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000821404665 655429444 /nfs/dbraw/zinc/42/94/44/655429444.db2.gz ZZQLOZKRTSVPIJ-ZDUSSCGKSA-N 1 0 385.452 1.623 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)N2CCn3ncc(Br)c3C2)cn1 ZINC000821501184 655430808 /nfs/dbraw/zinc/43/08/08/655430808.db2.gz PGBALFYEEKGGLA-UHFFFAOYSA-N 1 0 382.266 1.451 20 0 GDADRO Cc1ccc(Br)c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)n1 ZINC000821928731 655437309 /nfs/dbraw/zinc/43/73/09/655437309.db2.gz LLQHDPBXEOSCOP-UHFFFAOYSA-N 1 0 383.290 1.484 20 0 GDADRO Cc1nonc1CC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000845940844 655439558 /nfs/dbraw/zinc/43/95/58/655439558.db2.gz KLJUYZKKGARWAM-UHFFFAOYSA-N 1 0 378.230 1.998 20 0 GDADRO CN1C(=O)CS/C1=C\C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000822423573 655444940 /nfs/dbraw/zinc/44/49/40/655444940.db2.gz DYUBFXUSEJBXCZ-QJVAEYLJSA-N 1 0 377.535 1.767 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000846182191 655449255 /nfs/dbraw/zinc/44/92/55/655449255.db2.gz AEMQIUWJKWQWGO-CMPLNLGQSA-N 1 0 382.454 1.367 20 0 GDADRO COc1cc([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)ccc1S(=O)(=O)C(F)F ZINC000846195867 655449693 /nfs/dbraw/zinc/44/96/93/655449693.db2.gz VBRMTNFIPNIHBH-MEDUHNTESA-N 1 0 379.425 1.884 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000846204159 655449886 /nfs/dbraw/zinc/44/98/86/655449886.db2.gz FCPIIOPMMPCBQE-UHFFFAOYSA-N 1 0 399.289 1.736 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NCCC2(C[NH3+])CC2)c1 ZINC000846232904 655450430 /nfs/dbraw/zinc/45/04/30/655450430.db2.gz WKUYNNWHWBAONP-UHFFFAOYSA-N 1 0 391.287 1.643 20 0 GDADRO CS(=O)(=O)C1(c2nc(C(F)(F)c3ccc(F)cc3)no2)CC[NH2+]CC1 ZINC000822776603 655450894 /nfs/dbraw/zinc/45/08/94/655450894.db2.gz XDQMYKFABAPLCI-UHFFFAOYSA-N 1 0 375.372 1.972 20 0 GDADRO Cn1ncc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)c1Br ZINC000823100024 655456704 /nfs/dbraw/zinc/45/67/04/655456704.db2.gz YDSUZIORLIHALP-MRVPVSSYSA-N 1 0 379.222 1.416 20 0 GDADRO C[NH+]1CCC(ONC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000846647867 655458387 /nfs/dbraw/zinc/45/83/87/655458387.db2.gz XBNFLVFHPUTFSI-UHFFFAOYSA-N 1 0 380.246 1.785 20 0 GDADRO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846671052 655458645 /nfs/dbraw/zinc/45/86/45/655458645.db2.gz NEUIKJXHBQRXKX-STQMWFEESA-N 1 0 383.436 1.195 20 0 GDADRO CCO[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1C[NH3+] ZINC000846695846 655458921 /nfs/dbraw/zinc/45/89/21/655458921.db2.gz NKYHDHKOECVKNU-TZMCWYRMSA-N 1 0 376.425 1.048 20 0 GDADRO CCO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@H]1C[NH3+] ZINC000846695454 655458924 /nfs/dbraw/zinc/45/89/24/655458924.db2.gz LLEOHFOLBXLGTQ-IAQYHMDHSA-N 1 0 389.905 1.026 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CCC(CC[NH3+])CC2)sc1Br ZINC000846696121 655458939 /nfs/dbraw/zinc/45/89/39/655458939.db2.gz RPANODZLXUYGCW-UHFFFAOYSA-N 1 0 396.332 1.359 20 0 GDADRO Ic1cccc(OCc2nc(N3CC[NH2+]CC3)no2)c1 ZINC000823304256 655460059 /nfs/dbraw/zinc/46/00/59/655460059.db2.gz OHAVABMNQAMPAB-UHFFFAOYSA-N 1 0 386.193 1.663 20 0 GDADRO CC(=O)N[C@@H](Cc1nc(N2CC[NH2+]CC2)no1)c1ccc(Br)cc1 ZINC000823321331 655460328 /nfs/dbraw/zinc/46/03/28/655460328.db2.gz ZDXOKCZNVGALSF-AWEZNQCLSA-N 1 0 394.273 1.662 20 0 GDADRO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000823490062 655463881 /nfs/dbraw/zinc/46/38/81/655463881.db2.gz STUGGWGWWNATIB-SOUVJXGZSA-N 1 0 375.535 1.646 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN(C)C[C@H](O)c1ccccc1Br ZINC000846985280 655464147 /nfs/dbraw/zinc/46/41/47/655464147.db2.gz RYJJUYNMESPWAC-CJNGLKHVSA-N 1 0 375.307 1.353 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)cnc1C1CC1 ZINC000823562523 655464956 /nfs/dbraw/zinc/46/49/56/655464956.db2.gz UXXDDNUIQNRRJX-LLVKDONJSA-N 1 0 395.301 1.914 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cnc(F)c(Br)c2)C1 ZINC000847426355 655469315 /nfs/dbraw/zinc/46/93/15/655469315.db2.gz YFODWVKXSRYDIJ-SNVBAGLBSA-N 1 0 387.253 1.300 20 0 GDADRO C[N@@H+]1CC[C@H](CCOC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000847823606 655477338 /nfs/dbraw/zinc/47/73/38/655477338.db2.gz MWNGXDMHSVGSPW-GFCCVEGCSA-N 1 0 376.425 1.518 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1sc(S(N)(=O)=O)c(C)c1Cl ZINC000848024635 655480540 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C[NH+](C)CCCOC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000825265658 655486846 /nfs/dbraw/zinc/48/68/46/655486846.db2.gz RBLHVMIEMGDPFL-UHFFFAOYSA-N 1 0 384.376 1.358 20 0 GDADRO [NH3+]C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C(F)(F)F ZINC000848439853 655490278 /nfs/dbraw/zinc/49/02/78/655490278.db2.gz WRSOULMSJVNDQW-LBPRGKRZSA-N 1 0 399.822 1.744 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)[C@@]1(C)CC1(Br)Br ZINC000826560773 655498783 /nfs/dbraw/zinc/49/87/83/655498783.db2.gz XXYKFFLZCDRHQS-LLVKDONJSA-N 1 0 386.128 1.919 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(Br)cn2)cn1 ZINC000826809913 655501369 /nfs/dbraw/zinc/50/13/69/655501369.db2.gz UTWKXJYJWGMJPT-HZPDHXFCSA-N 1 0 392.301 1.929 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848936671 655502340 /nfs/dbraw/zinc/50/23/40/655502340.db2.gz FQRIACHRHSFTPR-DGXTUMSLSA-N 1 0 383.583 1.615 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000826877814 655502435 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GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccncc2Br)cn1 ZINC000849567722 655542291 /nfs/dbraw/zinc/54/22/91/655542291.db2.gz IWXVICLMIOOSNO-CHWSQXEVSA-N 1 0 378.274 1.674 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc(Br)ccc2O)cn1 ZINC000849582549 655542474 /nfs/dbraw/zinc/54/24/74/655542474.db2.gz NQQCXBNWZSSAKS-NEPJUHHUSA-N 1 0 394.273 1.957 20 0 GDADRO CSc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850376852 655553653 /nfs/dbraw/zinc/55/36/53/655553653.db2.gz YZOYGFFORZCHRW-QWHCGFSZSA-N 1 0 383.901 1.980 20 0 GDADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000850591895 655559555 /nfs/dbraw/zinc/55/95/55/655559555.db2.gz CZRDOFHNBZBYLT-SNVBAGLBSA-N 1 0 388.433 1.632 20 0 GDADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1S(=O)(=O)C(F)F ZINC000850592263 655559617 /nfs/dbraw/zinc/55/96/17/655559617.db2.gz OFZXKSDEFONTHU-LLVKDONJSA-N 1 0 394.465 1.636 20 0 GDADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC2SCCS2)CC1 ZINC000850693068 655564782 /nfs/dbraw/zinc/56/47/82/655564782.db2.gz LBJWYZOAYJHECI-UHFFFAOYSA-N 1 0 380.539 1.299 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CCO1 ZINC000850729184 655566782 /nfs/dbraw/zinc/56/67/82/655566782.db2.gz DOGMJRUGYJDORM-GFCCVEGCSA-N 1 0 399.289 1.352 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2cccc(Br)n2)CC1 ZINC000850734893 655567207 /nfs/dbraw/zinc/56/72/07/655567207.db2.gz IOOLKRGHCWBJFG-UHFFFAOYSA-N 1 0 398.305 1.956 20 0 GDADRO CS(=O)(=O)CCOc1ccc(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000850756778 655567694 /nfs/dbraw/zinc/56/76/94/655567694.db2.gz VBVIKASTDWZKTN-GFCCVEGCSA-N 1 0 383.392 1.511 20 0 GDADRO O=C(NC[C@H]1CSCCS1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850808609 655568570 /nfs/dbraw/zinc/56/85/70/655568570.db2.gz IOZOWTXHAYSQCI-GJZGRUSLSA-N 1 0 381.523 1.251 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NCC2CC[NH2+]CC2)n1 ZINC000850821647 655568813 /nfs/dbraw/zinc/56/88/13/655568813.db2.gz PQWIPHZQIXYHLQ-UHFFFAOYSA-N 1 0 382.877 1.251 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1 ZINC000850823191 655568870 /nfs/dbraw/zinc/56/88/70/655568870.db2.gz DHNUYLOITCAXMS-BDAKNGLRSA-N 1 0 382.877 1.331 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)CC[C@H]1[NH3+] ZINC000850821935 655568887 /nfs/dbraw/zinc/56/88/87/655568887.db2.gz CGYVDZHFSKQBEY-RKDXNWHRSA-N 1 0 382.877 1.331 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)n1 ZINC000850824667 655568997 /nfs/dbraw/zinc/56/89/97/655568997.db2.gz YICJLJJKCQLLTQ-UHFFFAOYSA-N 1 0 382.877 1.475 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)n1 ZINC000850824974 655569050 /nfs/dbraw/zinc/56/90/50/655569050.db2.gz IVSCWJRNMHJGLW-VIFPVBQESA-N 1 0 382.877 1.394 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)n1 ZINC000850825976 655569138 /nfs/dbraw/zinc/56/91/38/655569138.db2.gz HZMOCRAWFIDRST-ZCFIWIBFSA-N 1 0 396.782 1.141 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)CC[NH2+]1 ZINC000850828529 655569258 /nfs/dbraw/zinc/56/92/58/655569258.db2.gz ZAIXWXIHOXIFEU-RKDXNWHRSA-N 1 0 382.877 1.392 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)c2ccc3ncc(I)n3c2)CC[C@H]1F ZINC000851648469 655589744 /nfs/dbraw/zinc/58/97/44/655589744.db2.gz HYWUELGGOFPGGD-NXEZZACHSA-N 1 0 388.184 1.450 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000851672674 655590349 /nfs/dbraw/zinc/59/03/49/655590349.db2.gz PVNWTOFNHUCSLR-OLZOCXBDSA-N 1 0 385.452 1.385 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCC2SCCS2)C[C@H]1c1cccc(F)c1 ZINC000851690826 655590608 /nfs/dbraw/zinc/59/06/08/655590608.db2.gz BRJVIPRCWSIZAH-UONOGXRCSA-N 1 0 383.514 1.391 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)c(Br)o1 ZINC000851897215 655603443 /nfs/dbraw/zinc/60/34/43/655603443.db2.gz NEOAQQPOXHNFSM-VIFPVBQESA-N 1 0 395.275 1.447 20 0 GDADRO CCOC(=O)CC[N@H+](CCn1cnc(Br)n1)Cc1cccnc1 ZINC000851916078 655603929 /nfs/dbraw/zinc/60/39/29/655603929.db2.gz TWUWLHKLGFQXQW-UHFFFAOYSA-N 1 0 382.262 1.891 20 0 GDADRO NC(=O)[C@@](O)(C[N@H+](CCO)Cc1cc(Br)cs1)c1ccccc1 ZINC000851984320 655605215 /nfs/dbraw/zinc/60/52/15/655605215.db2.gz KVCBGUFKANZNRF-MRXNPFEDSA-N 1 0 399.310 1.678 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](CCn3cnc(Br)n3)CC23CCOCC3)cn1 ZINC000852120972 655608122 /nfs/dbraw/zinc/60/81/22/655608122.db2.gz FGMPCKBZYUCKQG-AWEZNQCLSA-N 1 0 395.305 1.670 20 0 GDADRO O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852461663 655615764 /nfs/dbraw/zinc/61/57/64/655615764.db2.gz YQHXHTUZORVPGM-SXBQZSJRSA-N 1 0 377.432 1.871 20 0 GDADRO CS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472535 655616270 /nfs/dbraw/zinc/61/62/70/655616270.db2.gz DXJLVVGUWZSKEW-QWHCGFSZSA-N 1 0 385.452 1.191 20 0 GDADRO CO[C@@H](C[NH+]1CCC(n2nncc2I)CC1)C1CC1 ZINC000852532193 655617116 /nfs/dbraw/zinc/61/71/16/655617116.db2.gz DTYMPQPHESBUNF-LBPRGKRZSA-N 1 0 376.242 1.945 20 0 GDADRO COC(=O)N(C)CC[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000852568539 655617944 /nfs/dbraw/zinc/61/79/44/655617944.db2.gz IJIQHVOVYXBPHH-ZDUSSCGKSA-N 1 0 393.253 1.958 20 0 GDADRO CC[NH2+]CCNC(=O)c1cnn(-c2ccccc2)c1I ZINC000852795004 655622733 /nfs/dbraw/zinc/62/27/33/655622733.db2.gz DPRKEMZBLPEPFT-UHFFFAOYSA-N 1 0 384.221 1.816 20 0 GDADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(n2nncc2I)CC1 ZINC000852860941 655624392 /nfs/dbraw/zinc/62/43/92/655624392.db2.gz MDTVWHBNDSZTSP-KOLCDFICSA-N 1 0 389.241 1.044 20 0 GDADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(n2nncc2I)CC1 ZINC000852860943 655624444 /nfs/dbraw/zinc/62/44/44/655624444.db2.gz MDTVWHBNDSZTSP-ONGXEEELSA-N 1 0 389.241 1.044 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)c1cccn2c(I)cnc12 ZINC000852866448 655624647 /nfs/dbraw/zinc/62/46/47/655624647.db2.gz XIDLJYGVVUPQGF-UHFFFAOYSA-N 1 0 382.205 1.421 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)=NO1 ZINC000852872028 655624672 /nfs/dbraw/zinc/62/46/72/655624672.db2.gz GWMIFNOYKWSVLK-HNNXBMFYSA-N 1 0 395.301 1.633 20 0 GDADRO Nc1cc[nH+]cc1C(=O)N1CCC(n2nncc2I)CC1 ZINC000852908678 655627551 /nfs/dbraw/zinc/62/75/51/655627551.db2.gz NWTVYAQPVTZKSG-UHFFFAOYSA-N 1 0 398.208 1.168 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000852916881 655628281 /nfs/dbraw/zinc/62/82/81/655628281.db2.gz SGQBJYCSHBFHBP-CQSZACIVSA-N 1 0 398.301 1.545 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)Cc1ccccc1 ZINC000853236074 655637120 /nfs/dbraw/zinc/63/71/20/655637120.db2.gz QCYLOIJSRPQKDL-SXBQZSJRSA-N 1 0 379.448 1.770 20 0 GDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC2SCCS2)CC1 ZINC000853832860 655651454 /nfs/dbraw/zinc/65/14/54/655651454.db2.gz DYBYTVNTCYASAZ-UHFFFAOYSA-N 1 0 388.603 1.718 20 0 GDADRO CSC1(CNC(=O)NCCC2N=NC(=S)N2C(C)C)CC[NH+](C)CC1 ZINC000854080469 655656739 /nfs/dbraw/zinc/65/67/39/655656739.db2.gz SHILKMRQWIXDKO-UHFFFAOYSA-N 1 0 386.591 1.817 20 0 GDADRO C[C@@H](NCC1([NH3+])CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000854222234 655658824 /nfs/dbraw/zinc/65/88/24/655658824.db2.gz CRCPMZXYTGEBIM-CYBMUJFWSA-N 1 0 389.543 1.334 20 0 GDADRO C[C@@]1(C(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1(Br)Br ZINC000854413139 655666020 /nfs/dbraw/zinc/66/60/20/655666020.db2.gz NJDMLUAVCSCIBP-JQWIXIFHSA-N 1 0 398.139 1.846 20 0 GDADRO C[C@@]1(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)CC1(Br)Br ZINC000854413140 655666025 /nfs/dbraw/zinc/66/60/25/655666025.db2.gz NJDMLUAVCSCIBP-PWSUYJOCSA-N 1 0 398.139 1.846 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000854466390 655667388 /nfs/dbraw/zinc/66/73/88/655667388.db2.gz BYQMPIXQICWMJN-LLVKDONJSA-N 1 0 391.921 1.069 20 0 GDADRO O=C(N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(F)(F)c1ccc(Br)cc1 ZINC000855050159 655684782 /nfs/dbraw/zinc/68/47/82/655684782.db2.gz LTKGGLQRHYTIQE-QWHCGFSZSA-N 1 0 375.213 1.818 20 0 GDADRO CC[C@@H]1CN(C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)C[C@H](C)[NH2+]1 ZINC000856409572 655712903 /nfs/dbraw/zinc/71/29/03/655712903.db2.gz UTDZHYWNZMEXAV-RWMBFGLXSA-N 1 0 388.921 1.391 20 0 GDADRO CNS(=O)(=O)CC[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000856760849 655718015 /nfs/dbraw/zinc/71/80/15/655718015.db2.gz HWNYPRZUAFNWCO-CYBMUJFWSA-N 1 0 385.452 1.049 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856840924 655720268 /nfs/dbraw/zinc/72/02/68/655720268.db2.gz XAYUYSZIRSXTDO-QWHCGFSZSA-N 1 0 379.332 1.812 20 0 GDADRO O=C(CNC(=O)NCC[C@H]1CC1(Cl)Cl)NCC[NH+]1CCCCCC1 ZINC000856859517 655720639 /nfs/dbraw/zinc/72/06/39/655720639.db2.gz PMZWLRPDHUMIDK-ZDUSSCGKSA-N 1 0 379.332 1.862 20 0 GDADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1c(Br)nc2n1CCOC2 ZINC000857006912 655725343 /nfs/dbraw/zinc/72/53/43/655725343.db2.gz TWLIWUOVWJCPNY-UHFFFAOYSA-N 1 0 383.290 1.780 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)NCC[C@H](C)[NH3+] ZINC000857107865 655727878 /nfs/dbraw/zinc/72/78/78/655727878.db2.gz KXASBJOMLMHFML-JTQLQIEISA-N 1 0 391.335 1.896 20 0 GDADRO C[N@@H+]1CCCC12CCN(C(=O)c1c(Br)nc3n1CCOC3)CC2 ZINC000857172457 655729790 /nfs/dbraw/zinc/72/97/90/655729790.db2.gz RFJRSDMYYAMUCN-UHFFFAOYSA-N 1 0 383.290 1.876 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C2 ZINC000857237906 655731814 /nfs/dbraw/zinc/73/18/14/655731814.db2.gz XDZSSOYGENFCAS-ZWNOBZJWSA-N 1 0 398.428 1.482 20 0 GDADRO Cn1cc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c(Br)n1 ZINC000858101899 655744443 /nfs/dbraw/zinc/74/44/43/655744443.db2.gz KACMZBGAAKKFGT-UHFFFAOYSA-N 1 0 378.274 1.972 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000858192196 655745478 /nfs/dbraw/zinc/74/54/78/655745478.db2.gz GPAVIULUQHJNLC-ZIAGYGMSSA-N 1 0 399.289 1.515 20 0 GDADRO COc1cc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)ccc1S(=O)(=O)C(F)F ZINC000858469441 655748530 /nfs/dbraw/zinc/74/85/30/655748530.db2.gz OUWLHDFGHIYQRG-DRZSPHRISA-N 1 0 379.425 1.882 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)C1CCS(=O)(=O)CC1 ZINC000858527162 655748999 /nfs/dbraw/zinc/74/89/99/655748999.db2.gz OPFIKUWEEJYIKY-DZGCQCFKSA-N 1 0 376.519 1.425 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000858607426 655749986 /nfs/dbraw/zinc/74/99/86/655749986.db2.gz BYCQREOYRVKKBR-TVQRCGJNSA-N 1 0 377.850 1.255 20 0 GDADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858609028 655750059 /nfs/dbraw/zinc/75/00/59/655750059.db2.gz RCIBYAAWBPSSTA-LBPRGKRZSA-N 1 0 379.404 1.950 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCC([NH+]2CCOCC2)CC1 ZINC000858630841 655751338 /nfs/dbraw/zinc/75/13/38/655751338.db2.gz LLRSKTPLMJNFMQ-UHFFFAOYSA-N 1 0 381.278 1.427 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859225795 655770348 /nfs/dbraw/zinc/77/03/48/655770348.db2.gz KZGZUOOHZQGBFT-UHFFFAOYSA-N 1 0 397.273 1.560 20 0 GDADRO NC(=O)c1cn(C2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)nn1 ZINC000859591144 655787738 /nfs/dbraw/zinc/78/77/38/655787738.db2.gz FYBOFIWXMXTSEA-OAHLLOKOSA-N 1 0 394.273 1.510 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000860193202 655796309 /nfs/dbraw/zinc/79/63/09/655796309.db2.gz DIWBNDKYUBKUBH-CABCVRRESA-N 1 0 375.535 1.505 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)cnc2F)ccc1=O ZINC000860418329 655800276 /nfs/dbraw/zinc/80/02/76/655800276.db2.gz NICPYBOVYLUHAG-UHFFFAOYSA-N 1 0 383.221 1.959 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000861034827 655812626 /nfs/dbraw/zinc/81/26/26/655812626.db2.gz IFXZXYAXKFQRHJ-OLZOCXBDSA-N 1 0 376.500 1.069 20 0 GDADRO O=C(Cn1ccc2ccc(Br)cc21)NCC(=O)OCC[NH+]1CCC1 ZINC000861391148 655820695 /nfs/dbraw/zinc/82/06/95/655820695.db2.gz YUMWVZUUZGGEHN-UHFFFAOYSA-N 1 0 394.269 1.769 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000861543164 655825529 /nfs/dbraw/zinc/82/55/29/655825529.db2.gz YPFZLTXLNRSXPV-SNVBAGLBSA-N 1 0 380.246 1.379 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c(C)cc1Br ZINC000861545350 655825798 /nfs/dbraw/zinc/82/57/98/655825798.db2.gz WNWVPDBOKAXUOW-VIFPVBQESA-N 1 0 386.246 1.288 20 0 GDADRO Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1cc(Br)cnc1F)C2 ZINC000861659565 655827646 /nfs/dbraw/zinc/82/76/46/655827646.db2.gz KXIFTUGTQROXSP-LLVKDONJSA-N 1 0 397.248 1.768 20 0 GDADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713573 655828930 /nfs/dbraw/zinc/82/89/30/655828930.db2.gz CZFCPIQHPMSFEN-QWHCGFSZSA-N 1 0 377.794 1.964 20 0 GDADRO O=Cc1ccc(OCC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c(Br)c1 ZINC000861712368 655828955 /nfs/dbraw/zinc/82/89/55/655828955.db2.gz NDHPGMOJBRNLPQ-ZIAGYGMSSA-N 1 0 397.269 1.308 20 0 GDADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861720363 655829082 /nfs/dbraw/zinc/82/90/82/655829082.db2.gz YIBTUAMOZQXYCZ-RYUDHWBXSA-N 1 0 390.228 1.807 20 0 GDADRO O=C(NCCSCc1ccnc(Cl)c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861729442 655829357 /nfs/dbraw/zinc/82/93/57/655829357.db2.gz XODLINCAOUIGTE-CYBMUJFWSA-N 1 0 382.917 1.485 20 0 GDADRO CCN(C(=O)c1sc(S(N)(=O)=O)c(C)c1Cl)C1CC[NH+](C)CC1 ZINC000861892864 655833015 /nfs/dbraw/zinc/83/30/15/655833015.db2.gz VEZIRKGZPONLAX-UHFFFAOYSA-N 1 0 379.935 1.914 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(S(=O)(=O)N4CCC4)ccc3Cl)C[C@H]21 ZINC000861910958 655833501 /nfs/dbraw/zinc/83/35/01/655833501.db2.gz FJCASAXTCXTECJ-FOLVSLTJSA-N 1 0 383.901 1.366 20 0 GDADRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862290946 655843947 /nfs/dbraw/zinc/84/39/47/655843947.db2.gz IMENDSDPGOUWRH-DZGCQCFKSA-N 1 0 376.519 1.425 20 0 GDADRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862368379 655845235 /nfs/dbraw/zinc/84/52/35/655845235.db2.gz GOGJFIOWCRDCGY-RDBSUJKOSA-N 1 0 375.535 1.468 20 0 GDADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)COC1(C)C ZINC000862368766 655845288 /nfs/dbraw/zinc/84/52/88/655845288.db2.gz MTMFFUZLLOFNAB-UONOGXRCSA-N 1 0 376.519 1.773 20 0 GDADRO CCS(=O)(=O)C1(C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000862420469 655846256 /nfs/dbraw/zinc/84/62/56/655846256.db2.gz ZPGFJMDEBHTPJT-CYBMUJFWSA-N 1 0 376.519 1.915 20 0 GDADRO COc1cc(N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c(Br)cn1 ZINC000863477879 655873605 /nfs/dbraw/zinc/87/36/05/655873605.db2.gz ZUASRFBVPNDWHB-KGLIPLIRSA-N 1 0 397.273 1.614 20 0 GDADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1OCCO[C@H]1C(F)(F)F ZINC000864865555 655907372 /nfs/dbraw/zinc/90/73/72/655907372.db2.gz ZTGRJNUNAPOVFW-QWHCGFSZSA-N 1 0 382.448 1.811 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(I)nn1C ZINC000865012133 655910215 /nfs/dbraw/zinc/91/02/15/655910215.db2.gz ACMCSWLQFMEPSS-JTQLQIEISA-N 1 0 378.258 1.731 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(CO)c(Br)n2)CC1 ZINC000865529749 655921305 /nfs/dbraw/zinc/92/13/05/655921305.db2.gz QEPOEKBHMCRZDM-UHFFFAOYSA-N 1 0 385.306 1.691 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(CO)c(Br)n2)CC1 ZINC000865620010 655923127 /nfs/dbraw/zinc/92/31/27/655923127.db2.gz YMVOTUZTAXJIJE-CYBMUJFWSA-N 1 0 383.290 1.079 20 0 GDADRO CN(C)C(=O)N1CCC([NH2+]Cc2c(I)cnn2C)CC1 ZINC000865868890 655928793 /nfs/dbraw/zinc/92/87/93/655928793.db2.gz QAWHFJMUZUVTDU-UHFFFAOYSA-N 1 0 391.257 1.260 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000865869006 655928835 /nfs/dbraw/zinc/92/88/35/655928835.db2.gz STYLWFBJQGVZCB-QMMMGPOBSA-N 1 0 388.175 1.751 20 0 GDADRO CC1CC[NH+](CCCNS(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000866463819 655944555 /nfs/dbraw/zinc/94/45/55/655944555.db2.gz CJGXPRVFSJJHGQ-UHFFFAOYSA-N 1 0 379.324 1.583 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cnn(C)c1Br)[N@@H+]1CCCC[C@@H]1C ZINC000866492592 655947113 /nfs/dbraw/zinc/94/71/13/655947113.db2.gz QJVBFKGJLCGDMI-WDEREUQCSA-N 1 0 379.324 1.724 20 0 GDADRO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1sccc1Br ZINC000866554594 655949301 /nfs/dbraw/zinc/94/93/01/655949301.db2.gz IBNUPRZDFYOTMT-YGRLFVJLSA-N 1 0 375.288 1.789 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000866736142 655957517 /nfs/dbraw/zinc/95/75/17/655957517.db2.gz UWDPDMOKILJJSX-QHCPKHFHSA-N 1 0 377.532 1.122 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000866738987 655957813 /nfs/dbraw/zinc/95/78/13/655957813.db2.gz VEDMBTUTODAMKZ-QWRGUYRKSA-N 1 0 379.404 1.854 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000866740288 655957953 /nfs/dbraw/zinc/95/79/53/655957953.db2.gz PRIICHZXPXPKEI-WDEREUQCSA-N 1 0 379.404 1.935 20 0 GDADRO C[NH2+][C@H]1CCCN(S(=O)(=O)Cc2c(Br)cccc2OC)C1 ZINC000866761009 655959738 /nfs/dbraw/zinc/95/97/38/655959738.db2.gz JLFRGTJNNXFWCL-NSHDSACASA-N 1 0 377.304 1.971 20 0 GDADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)cnc1Cl ZINC000866771095 655961386 /nfs/dbraw/zinc/96/13/86/655961386.db2.gz MUZYHNNOBAMVNU-UHFFFAOYSA-N 1 0 393.340 1.883 20 0 GDADRO O=S(=O)(N=S1(=O)CCCC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000866776602 655962142 /nfs/dbraw/zinc/96/21/42/655962142.db2.gz JJJLSHMSBZKZLL-GJZGRUSLSA-N 1 0 375.491 1.367 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)Cc1c(Br)cccc1OC ZINC000866779712 655962732 /nfs/dbraw/zinc/96/27/32/655962732.db2.gz SDGOQRXIGJTCNI-UHFFFAOYSA-N 1 0 381.292 1.113 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000866791804 655964048 /nfs/dbraw/zinc/96/40/48/655964048.db2.gz LASMZJBGYWFHJH-AOOOYVTPSA-N 1 0 389.271 1.361 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C[C@@H]2C)s1 ZINC000866793463 655964336 /nfs/dbraw/zinc/96/43/36/655964336.db2.gz QYKCVXFEKJKWBI-NKWVEPMBSA-N 1 0 383.289 1.407 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)s1 ZINC000866802525 655965302 /nfs/dbraw/zinc/96/53/02/655965302.db2.gz FJIFJEUMUKDNEP-UHFFFAOYSA-N 1 0 375.516 1.409 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000866805568 655965655 /nfs/dbraw/zinc/96/56/55/655965655.db2.gz AICBFWFHGMEGDP-KLPPZKSPSA-N 1 0 393.303 1.490 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000866805295 655965676 /nfs/dbraw/zinc/96/56/76/655965676.db2.gz BXXFCVXIWGMYKQ-WAAGHKOSSA-N 1 0 377.260 1.251 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1I ZINC000866805638 655965711 /nfs/dbraw/zinc/96/57/11/655965711.db2.gz OCJPIVPJRKTOTQ-AOOOYVTPSA-N 1 0 380.251 1.615 20 0 GDADRO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866816244 655966612 /nfs/dbraw/zinc/96/66/12/655966612.db2.gz CQWOGUQBFLLJNR-BNOWGMLFSA-N 1 0 385.873 1.204 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000866816213 655966627 /nfs/dbraw/zinc/96/66/27/655966627.db2.gz CLKJMBIZXAVDGQ-UHTWSYAYSA-N 1 0 389.836 1.035 20 0 GDADRO COCCC1(NS(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)CC[NH2+]CC1 ZINC000866820501 655967036 /nfs/dbraw/zinc/96/70/36/655967036.db2.gz JETNNNBKQFZEIO-GFCCVEGCSA-N 1 0 389.543 1.382 20 0 GDADRO C[NH+](C)[C@@]1(CNS(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CCSC1 ZINC000866916706 655976903 /nfs/dbraw/zinc/97/69/03/655976903.db2.gz XJRFAVPZIPFZDO-MRXNPFEDSA-N 1 0 393.575 1.210 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1nc[nH]c1Br ZINC000866995876 655985527 /nfs/dbraw/zinc/98/55/27/655985527.db2.gz LXGBSPKWBDMIMW-VWYCJHECSA-N 1 0 393.307 1.044 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000867069447 655993266 /nfs/dbraw/zinc/99/32/66/655993266.db2.gz HEJREBIWFCYRKU-UHFFFAOYSA-N 1 0 395.591 1.563 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cnn(C)c2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000867125102 655998989 /nfs/dbraw/zinc/99/89/89/655998989.db2.gz SMCNRMJLTZPVJZ-GHMZBOCLSA-N 1 0 398.476 1.639 20 0 GDADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cnn(C)c2C(F)(F)F)CCCO1 ZINC000867191818 656009688 /nfs/dbraw/zinc/00/96/88/656009688.db2.gz RUWOWZMKKWWBPB-NSHDSACASA-N 1 0 384.424 1.218 20 0 GDADRO CC1=C(Br)CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000867219025 656015917 /nfs/dbraw/zinc/01/59/17/656015917.db2.gz GVTBSCCIBPJIFM-UHFFFAOYSA-N 1 0 380.352 1.328 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000867242528 656020777 /nfs/dbraw/zinc/02/07/77/656020777.db2.gz ABHOQHPGDDUIKG-XMMPIXPASA-N 1 0 389.543 1.612 20 0 GDADRO CC(C)n1ncc(C(=O)NCCOCC[NH+](C)C)c1I ZINC000867241979 656020840 /nfs/dbraw/zinc/02/08/40/656020840.db2.gz WBYLOAOXXMHSFT-UHFFFAOYSA-N 1 0 394.257 1.377 20 0 GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cn(C)nc1Br ZINC000867269172 656027297 /nfs/dbraw/zinc/02/72/97/656027297.db2.gz GOOWTDXCABEWGY-WDEREUQCSA-N 1 0 377.308 1.430 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000867298207 656033283 /nfs/dbraw/zinc/03/32/83/656033283.db2.gz CDFFCXGNNWFVII-GJZGRUSLSA-N 1 0 375.535 1.599 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000867373689 656048245 /nfs/dbraw/zinc/04/82/45/656048245.db2.gz QCOXTACISGHYJL-OAHLLOKOSA-N 1 0 375.535 1.598 20 0 GDADRO C[NH+](C)C1CCC(NS(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 ZINC000867421171 656057503 /nfs/dbraw/zinc/05/75/03/656057503.db2.gz PXFKASCJMBXFSD-RKLPPVLTSA-N 1 0 377.507 1.990 20 0 GDADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000867455435 656064514 /nfs/dbraw/zinc/06/45/14/656064514.db2.gz ICMZASVFENMAOG-UHFFFAOYSA-N 1 0 377.551 1.751 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1ccc(I)cc1OC ZINC000867462828 656065837 /nfs/dbraw/zinc/06/58/37/656065837.db2.gz WSGMRXOGWWJYQI-UHFFFAOYSA-N 1 0 392.237 1.344 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000867462819 656065906 /nfs/dbraw/zinc/06/59/06/656065906.db2.gz WGZASQGUJIEURQ-OAHLLOKOSA-N 1 0 386.290 1.057 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000867501567 656071931 /nfs/dbraw/zinc/07/19/31/656071931.db2.gz KVFLIBOAEOZMPM-IZHWHUGBSA-N 1 0 390.575 1.250 20 0 GDADRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cnn(C)c1Br ZINC000867521623 656075569 /nfs/dbraw/zinc/07/55/69/656075569.db2.gz ZPWGSGKYUSHNEK-LLVKDONJSA-N 1 0 379.324 1.581 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCSCCC(F)(F)F)CC[C@H]21 ZINC000867578270 656087458 /nfs/dbraw/zinc/08/74/58/656087458.db2.gz JKARWMNFNXNIEP-QWHCGFSZSA-N 1 0 381.464 1.731 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCSC[C@H]3c3nccs3)CC[C@@H]21 ZINC000867589866 656089480 /nfs/dbraw/zinc/08/94/80/656089480.db2.gz MOMCTUWNXZGVNL-RDBSUJKOSA-N 1 0 380.539 1.312 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000867603827 656092298 /nfs/dbraw/zinc/09/22/98/656092298.db2.gz ACRUMGXMPSOGFJ-LSDHHAIUSA-N 1 0 375.535 1.790 20 0 GDADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccccc3S(C)(=O)=O)CC2)CC1 ZINC000867618147 656094559 /nfs/dbraw/zinc/09/45/59/656094559.db2.gz BWNCGQQZOMMIMR-UHFFFAOYSA-N 1 0 386.539 1.587 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3csc(C(F)(F)F)c3)CC[C@H]21 ZINC000867798827 656118025 /nfs/dbraw/zinc/11/80/25/656118025.db2.gz HWCQGSBLWNLTNP-VXGBXAGGSA-N 1 0 375.416 1.936 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)N=[S@@](C)(=O)c3ccccc3F)CC[C@@H]21 ZINC000867807489 656119471 /nfs/dbraw/zinc/11/94/71/656119471.db2.gz DRENOKFAGPFNSU-XTAIUZINSA-N 1 0 375.491 1.553 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)CCc3ccc(Cl)cc3)CC2)CC1 ZINC000867816726 656121073 /nfs/dbraw/zinc/12/10/73/656121073.db2.gz KAJYQRSEISSKQV-UHFFFAOYSA-N 1 0 385.961 1.924 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)CCc3cccc(Cl)c3)CC2)CC1 ZINC000867816663 656121086 /nfs/dbraw/zinc/12/10/86/656121086.db2.gz FVIUSTRNXGTUFL-UHFFFAOYSA-N 1 0 385.961 1.924 20 0 GDADRO CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)CCS(C)(=O)=O ZINC000867896640 656131391 /nfs/dbraw/zinc/13/13/91/656131391.db2.gz VCADIKLONPDLDF-QGZVFWFLSA-N 1 0 388.555 1.347 20 0 GDADRO C[C@]1([NH3+])CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000868071632 656139472 /nfs/dbraw/zinc/13/94/72/656139472.db2.gz WOZYXEURADAWPM-AWEZNQCLSA-N 1 0 375.288 1.314 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2I)C1 ZINC000868304308 656149972 /nfs/dbraw/zinc/14/99/72/656149972.db2.gz GMXUAUDZAZSVIU-XWEPSHTISA-N 1 0 391.184 1.222 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000868304582 656150030 /nfs/dbraw/zinc/15/00/30/656150030.db2.gz REFKOUGTLWNOAB-HOMQSWHASA-N 1 0 377.242 1.789 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868307812 656150493 /nfs/dbraw/zinc/15/04/93/656150493.db2.gz OATFBEJQLALGDJ-LMKPVCQUSA-N 1 0 381.274 1.738 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)CCSC1 ZINC000868355326 656151631 /nfs/dbraw/zinc/15/16/31/656151631.db2.gz KIHZZBSMMZBRLC-KBPBESRZSA-N 1 0 382.452 1.276 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1cccc(Br)c1 ZINC000868385700 656153245 /nfs/dbraw/zinc/15/32/45/656153245.db2.gz XGLAMDLTEAFTPY-RISCZKNCSA-N 1 0 384.274 1.073 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](COC)c2cccc(Br)c2)C1 ZINC000868386914 656153487 /nfs/dbraw/zinc/15/34/87/656153487.db2.gz KFJVOHKAWDIDMO-DOMZBBRYSA-N 1 0 398.301 1.321 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1cccc(Br)c1 ZINC000868387323 656153541 /nfs/dbraw/zinc/15/35/41/656153541.db2.gz AUMADMREJOZRFZ-ZLDLUXBVSA-N 1 0 398.301 1.449 20 0 GDADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1c(I)cnn1C ZINC000868627069 656163339 /nfs/dbraw/zinc/16/33/39/656163339.db2.gz PRSUGNJWPSQGKP-SNVBAGLBSA-N 1 0 393.273 1.553 20 0 GDADRO CC(C)n1ncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1I ZINC000868731617 656167008 /nfs/dbraw/zinc/16/70/08/656167008.db2.gz IUIQUUAXOUJSAV-GDNZZTSVSA-N 1 0 388.253 1.701 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2c(I)cnn2C)C1 ZINC000868785475 656168892 /nfs/dbraw/zinc/16/88/92/656168892.db2.gz ZUGQGVDQKDBNIQ-SNVBAGLBSA-N 1 0 391.257 1.308 20 0 GDADRO CC(C)n1ncc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1Br ZINC000869131678 656181267 /nfs/dbraw/zinc/18/12/67/656181267.db2.gz PLRHYTAMPORMCS-UHFFFAOYSA-N 1 0 386.294 1.073 20 0 GDADRO O=C(c1cc(Br)cn2ccnc12)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000869298989 656190001 /nfs/dbraw/zinc/19/00/01/656190001.db2.gz HSOCGRURYILGNO-AWEZNQCLSA-N 1 0 393.285 1.768 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cccc(Br)c1 ZINC000870914975 656254974 /nfs/dbraw/zinc/25/49/74/656254974.db2.gz YLZPZLQSXWVVBP-BPUTZDHNSA-N 1 0 380.286 1.837 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1I ZINC000870914665 656255074 /nfs/dbraw/zinc/25/50/74/656255074.db2.gz PUDCRSXXRYPVCH-PWSUYJOCSA-N 1 0 388.253 1.893 20 0 GDADRO CC(C)n1ncc(C(=O)N2CCC[C@@H](C[NH3+])C2)c1I ZINC000870934171 656256566 /nfs/dbraw/zinc/25/65/66/656256566.db2.gz HBVAMZADQGNQBT-JTQLQIEISA-N 1 0 376.242 1.880 20 0 GDADRO CC(C)n1ncc(C(=O)N(C)[C@H](C[NH3+])C2CC2)c1I ZINC000870947008 656258482 /nfs/dbraw/zinc/25/84/82/656258482.db2.gz WAPGGOTYBQMFNH-LLVKDONJSA-N 1 0 376.242 1.878 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000870946615 656258509 /nfs/dbraw/zinc/25/85/09/656258509.db2.gz TYSZSWXJJWNUKT-GJZGRUSLSA-N 1 0 384.274 1.203 20 0 GDADRO O=C(c1ccccc1Br)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004332 656260129 /nfs/dbraw/zinc/26/01/29/656260129.db2.gz JUNRSACLUMRPDW-GDLCADMTSA-N 1 0 380.242 1.456 20 0 GDADRO O=C(N[C@@H]1COc2cccc(Br)c2C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000871007950 656260166 /nfs/dbraw/zinc/26/01/66/656260166.db2.gz MAOMXHQRJVCIHY-QWRGUYRKSA-N 1 0 391.269 1.983 20 0 GDADRO C[C@@H](C(=O)NCc1c(I)cnn1C)[C@@H]([NH3+])c1ccccc1 ZINC000871020321 656260426 /nfs/dbraw/zinc/26/04/26/656260426.db2.gz UASKFSGTJWHHIE-QMTHXVAHSA-N 1 0 398.248 1.977 20 0 GDADRO C[NH+]1CCN(Cc2cn(C[C@H](O)c3ccc(Br)cc3)nn2)CC1 ZINC000871620038 656274878 /nfs/dbraw/zinc/27/48/78/656274878.db2.gz VLIHTAPAZFMYIA-INIZCTEOSA-N 1 0 380.290 1.522 20 0 GDADRO C[NH+]1CCC(CNC(=S)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)CC1 ZINC000871691644 656276857 /nfs/dbraw/zinc/27/68/57/656276857.db2.gz TWPHNDCRTFGKNZ-UHFFFAOYSA-N 1 0 382.511 1.041 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cnccc1C(F)(F)F ZINC000871812058 656281367 /nfs/dbraw/zinc/28/13/67/656281367.db2.gz ZMMDZISGYMFVJF-NSHDSACASA-N 1 0 379.404 1.537 20 0 GDADRO COC(=O)c1cc(F)ccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871812504 656281569 /nfs/dbraw/zinc/28/15/69/656281569.db2.gz AILMNXVCMLMPFV-KCJUWKMLSA-N 1 0 384.351 1.370 20 0 GDADRO CO[C@H](CS(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000871812980 656281686 /nfs/dbraw/zinc/28/16/86/656281686.db2.gz MCHHDXSRKGJCQN-MRVWCRGKSA-N 1 0 384.395 1.912 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871813813 656282230 /nfs/dbraw/zinc/28/22/30/656282230.db2.gz YIHBSLHDLKMZOJ-POYBYMJQSA-N 1 0 380.314 1.197 20 0 GDADRO COC(=O)c1ccc(F)cc1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871813923 656282278 /nfs/dbraw/zinc/28/22/78/656282278.db2.gz LIGCFACHRHDLIS-KWQFWETISA-N 1 0 384.351 1.370 20 0 GDADRO CCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000871814045 656282446 /nfs/dbraw/zinc/28/24/46/656282446.db2.gz OKRSTEAJOVIPEU-ZWNOBZJWSA-N 1 0 379.404 1.793 20 0 GDADRO COC(=O)Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000871814105 656282626 /nfs/dbraw/zinc/28/26/26/656282626.db2.gz PEWZXJXCCNDVTB-DGCLKSJQSA-N 1 0 380.388 1.160 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871814397 656282835 /nfs/dbraw/zinc/28/28/35/656282835.db2.gz UBVILQKOTRECPB-BDAKNGLRSA-N 1 0 386.417 1.601 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000871815095 656283288 /nfs/dbraw/zinc/28/32/88/656283288.db2.gz NPVXSDUQNBNBJZ-XHDPSFHLSA-N 1 0 388.331 1.745 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c(Br)o1 ZINC000871816952 656283531 /nfs/dbraw/zinc/28/35/31/656283531.db2.gz NROBBRFGKNUELJ-GWCFXTLKSA-N 1 0 393.259 1.392 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(CC(=O)Nc1ccc(I)cc1)C2 ZINC000872148661 656318595 /nfs/dbraw/zinc/31/85/95/656318595.db2.gz GHXBQSXVNYYPRI-XHDPSFHLSA-N 1 0 385.249 1.771 20 0 GDADRO [NH3+]C[C@@H]1CN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1C(F)(F)F ZINC000872149445 656318646 /nfs/dbraw/zinc/31/86/46/656318646.db2.gz OAGJIORPUYLIIA-IUODEOHRSA-N 1 0 377.432 1.696 20 0 GDADRO CN(Cc1cccc(Cl)c1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872184976 656319388 /nfs/dbraw/zinc/31/93/88/656319388.db2.gz FBLJILLBZYPDAT-AAEUAGOBSA-N 1 0 377.794 1.894 20 0 GDADRO CN(Cc1cccc(Cl)c1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872185036 656319423 /nfs/dbraw/zinc/31/94/23/656319423.db2.gz FBLJILLBZYPDAT-YPMHNXCESA-N 1 0 377.794 1.894 20 0 GDADRO CN(Cc1ccc(Cl)cc1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872185331 656319440 /nfs/dbraw/zinc/31/94/40/656319440.db2.gz LSYHRSYYPJHMOB-AAEUAGOBSA-N 1 0 377.794 1.894 20 0 GDADRO C[C@](O)(C[C@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000872201490 656319886 /nfs/dbraw/zinc/31/98/86/656319886.db2.gz CVHQASGGOXQNGT-KBPBESRZSA-N 1 0 388.452 1.050 20 0 GDADRO CC(C)(O)C[C@H](O)C[NH2+]CCOc1ccc(I)cc1 ZINC000872208549 656319983 /nfs/dbraw/zinc/31/99/83/656319983.db2.gz YRYDGIGJTKTCAR-LBPRGKRZSA-N 1 0 379.238 1.782 20 0 GDADRO CC(C)(O)C[C@@H](O)C[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000872206210 656320018 /nfs/dbraw/zinc/32/00/18/656320018.db2.gz UIJXGTHYQVCMOS-LLVKDONJSA-N 1 0 385.404 1.470 20 0 GDADRO CC(C)(O)C[C@@H](O)C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000872216045 656320061 /nfs/dbraw/zinc/32/00/61/656320061.db2.gz MVZRNHKIZYIFNC-CHWSQXEVSA-N 1 0 378.282 1.851 20 0 GDADRO O=C1c2ccccc2C(=O)N1C[C@@H](O)CNCc1ncc(Br)s1 ZINC000872239505 656321144 /nfs/dbraw/zinc/32/11/44/656321144.db2.gz IQHJMXAKIHUGCE-VIFPVBQESA-N 1 0 396.266 1.652 20 0 GDADRO O=C(c1ncccc1Br)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872255244 656321804 /nfs/dbraw/zinc/32/18/04/656321804.db2.gz SHHDUKNLNXCBBO-OLZOCXBDSA-N 1 0 395.257 1.241 20 0 GDADRO O=C1CC2(CCOCC2)[N@H+](C[C@@H](O)c2ccc(Br)cc2)CCN1 ZINC000872284177 656322330 /nfs/dbraw/zinc/32/23/30/656322330.db2.gz QEVDLUNXJTWDKR-OAHLLOKOSA-N 1 0 383.286 1.854 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000872308226 656322650 /nfs/dbraw/zinc/32/26/50/656322650.db2.gz CWVNPNDNDBALDO-RPTSFBHLSA-N 1 0 378.270 1.798 20 0 GDADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872617174 656366310 /nfs/dbraw/zinc/36/63/10/656366310.db2.gz MVANNAPLBIOQFQ-WDEREUQCSA-N 1 0 380.388 1.257 20 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CCn1ncc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1Br ZINC000874274434 656457253 /nfs/dbraw/zinc/45/72/53/656457253.db2.gz XGVCDNKRELKYPP-CYBMUJFWSA-N 1 0 398.305 1.220 20 0 GDADRO CSc1cc(C(=O)NCC[N@H+](C)CCOCCO)ccc1Br ZINC000922128906 656459046 /nfs/dbraw/zinc/45/90/46/656459046.db2.gz LWNQSZJJIPBYFW-UHFFFAOYSA-N 1 0 391.331 1.842 20 0 GDADRO C[N@H+](CCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)CCOCCO ZINC000922128948 656459125 /nfs/dbraw/zinc/45/91/25/656459125.db2.gz NEMBJZVGBRWRSY-USXIJHARSA-N 1 0 397.313 1.392 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)s1 ZINC000922142591 656459710 /nfs/dbraw/zinc/45/97/10/656459710.db2.gz OAHHOBIUNVIJHF-CYBMUJFWSA-N 1 0 387.527 1.204 20 0 GDADRO COC(=O)COc1ccccc1C[NH2+]CCn1cc(Br)ccc1=O ZINC000922152081 656460084 /nfs/dbraw/zinc/46/00/84/656460084.db2.gz XUXBLHXXOJCKPW-UHFFFAOYSA-N 1 0 395.253 1.952 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1c(Cl)cncc1Cl ZINC000922345462 656469438 /nfs/dbraw/zinc/46/94/38/656469438.db2.gz PXEOUZBWLNQPKX-ZDUSSCGKSA-N 1 0 387.311 1.915 20 0 GDADRO C[C@H]1[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000922375935 656472826 /nfs/dbraw/zinc/47/28/26/656472826.db2.gz BJBJXYKTUSTZHK-GXFFZTMASA-N 1 0 392.884 1.149 20 0 GDADRO C[S@](=O)Cc1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000922474438 656481704 /nfs/dbraw/zinc/48/17/04/656481704.db2.gz OXTZRXOJUVORPL-TZPNTHKFSA-N 1 0 381.567 1.944 20 0 GDADRO Cc1ccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c(-c2ccnn2C)c1 ZINC000922493792 656484255 /nfs/dbraw/zinc/48/42/55/656484255.db2.gz UTHGLQMDRVKNRO-UHFFFAOYSA-N 1 0 384.527 1.543 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccncc1Br ZINC000874636798 656484981 /nfs/dbraw/zinc/48/49/81/656484981.db2.gz KSZCGZFKHKYCLE-NEPJUHHUSA-N 1 0 383.290 1.431 20 0 GDADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000874833129 656489744 /nfs/dbraw/zinc/48/97/44/656489744.db2.gz LBGLOAWXRCWZTD-CABCVRRESA-N 1 0 394.273 1.991 20 0 GDADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000874840689 656489862 /nfs/dbraw/zinc/48/98/62/656489862.db2.gz QMDYZSRMCMAHGO-QWRGUYRKSA-N 1 0 377.919 1.375 20 0 GDADRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000922535547 656489962 /nfs/dbraw/zinc/48/99/62/656489962.db2.gz IBFRYVNETXJVDH-KRWDZBQOSA-N 1 0 395.301 1.622 20 0 GDADRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000922536255 656489975 /nfs/dbraw/zinc/48/99/75/656489975.db2.gz SSSCAMKSKDGSQK-KRWDZBQOSA-N 1 0 395.301 1.622 20 0 GDADRO CO[C@@]1(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CCS(=O)(=O)C1 ZINC000922617356 656496361 /nfs/dbraw/zinc/49/63/61/656496361.db2.gz LCMUEOWHTMFADZ-CQSZACIVSA-N 1 0 381.420 1.532 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1Br ZINC000922717560 656504386 /nfs/dbraw/zinc/50/43/86/656504386.db2.gz KNZLLJRQNASIAG-XQQFMLRXSA-N 1 0 387.299 1.777 20 0 GDADRO CN(C)[C@H](CC[NH2+]Cc1c(I)cnn1C)C(F)(F)F ZINC000922751272 656505849 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GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923351232 656546418 /nfs/dbraw/zinc/54/64/18/656546418.db2.gz KTNMWJGPKOPCMS-IHRRRGAJSA-N 1 0 379.245 1.960 20 0 GDADRO O=C1NCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]1c1cccc(Br)c1 ZINC000923370305 656547439 /nfs/dbraw/zinc/54/74/39/656547439.db2.gz DVPROIOWOOPKMY-LSDHHAIUSA-N 1 0 380.286 1.301 20 0 GDADRO CCO[C@@H]1CN(C[C@H](O)COc2cc(F)cc(Br)c2)C[C@H]1C[NH3+] ZINC000923387967 656548393 /nfs/dbraw/zinc/54/83/93/656548393.db2.gz PQUXNMWSKQSKHX-DIOULYMOSA-N 1 0 391.281 1.624 20 0 GDADRO [NH3+][C@]1(CO)CCCN(CC(=O)Nc2cccc(I)c2)C1 ZINC000923479538 656555034 /nfs/dbraw/zinc/55/50/34/656555034.db2.gz KNAJHWBKDQCAKP-CQSZACIVSA-N 1 0 389.237 1.015 20 0 GDADRO C[C@H]1CN(C(=O)NCc2cnc(Br)cn2)CC[N@@H+]1CC(C)(C)O ZINC000923536258 656565619 /nfs/dbraw/zinc/56/56/19/656565619.db2.gz AWPOFITWUDQUQN-NSHDSACASA-N 1 0 386.294 1.226 20 0 GDADRO O=C(NCc1cnc(Br)cn1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000923542072 656567575 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GDADRO O=C(c1cc2occc2s1)N1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923617679 656577971 /nfs/dbraw/zinc/57/79/71/656577971.db2.gz GBLDSRFXDZRZTD-LBPRGKRZSA-N 1 0 383.495 1.334 20 0 GDADRO O=S(=O)(c1occc1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923663759 656581227 /nfs/dbraw/zinc/58/12/27/656581227.db2.gz MMUZTYPZUXHFFE-GFCCVEGCSA-N 1 0 393.303 1.821 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)ccc1F ZINC000923679140 656582745 /nfs/dbraw/zinc/58/27/45/656582745.db2.gz GRFABNHWKWXXCY-HUUCEWRRSA-N 1 0 376.475 1.040 20 0 GDADRO O=S(=O)(NCCCCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)nc1 ZINC000923681432 656583439 /nfs/dbraw/zinc/58/34/39/656583439.db2.gz LTKNTHRYIKECAS-UHFFFAOYSA-N 1 0 380.436 1.454 20 0 GDADRO O=C1O[C@H](CNS(=O)(=O)Cc2cc(F)ccc2Cl)CC12CC[NH2+]CC2 ZINC000923682195 656584165 /nfs/dbraw/zinc/58/41/65/656584165.db2.gz BHLCZSIXIAWTAC-ZDUSSCGKSA-N 1 0 390.864 1.584 20 0 GDADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1cccc(Br)c1)CC2 ZINC000923687382 656587860 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380.392 1.992 20 0 GDADRO [NH3+]C1CCN(CCNC(=O)Nc2cccc(I)c2)CC1 ZINC000925902436 656725647 /nfs/dbraw/zinc/72/56/47/656725647.db2.gz RWZAZJZNIMECML-UHFFFAOYSA-N 1 0 388.253 1.836 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1ccc(C)nc1Br)C2 ZINC000926077996 656734005 /nfs/dbraw/zinc/73/40/05/656734005.db2.gz MQPWQDKHNOAGHE-USBNGQNGSA-N 1 0 397.273 1.897 20 0 GDADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC(=O)N=[S@@](C)(=O)N(C)C)C2)s1 ZINC000878573576 656734324 /nfs/dbraw/zinc/73/43/24/656734324.db2.gz LMQDZDADSKODHO-SGANQWHYSA-N 1 0 386.587 1.911 20 0 GDADRO O=C(Nc1ccncc1I)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926086066 656734809 /nfs/dbraw/zinc/73/48/09/656734809.db2.gz GCPMQGQBIJLFCK-AWEZNQCLSA-N 1 0 386.237 1.858 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000926192131 656740780 /nfs/dbraw/zinc/74/07/80/656740780.db2.gz FRXYKEHOPOUGPW-BDAKNGLRSA-N 1 0 383.246 1.757 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3c(Br)cnn3C)C2)[C@H]1C(C)C ZINC000926234455 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LQTAACFIYNLDLZ-GFCCVEGCSA-N 1 0 385.917 1.716 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC000926325977 656747912 /nfs/dbraw/zinc/74/79/12/656747912.db2.gz FOJPPXIIXQIKLC-UKRRQHHQSA-N 1 0 396.329 1.893 20 0 GDADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000926358150 656749958 /nfs/dbraw/zinc/74/99/58/656749958.db2.gz VIGHXPKVRTYHNH-ZYHUDNBSSA-N 1 0 377.869 1.404 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926414769 656752997 /nfs/dbraw/zinc/75/29/97/656752997.db2.gz KCOPMIAXHRXWNV-IUODEOHRSA-N 1 0 398.301 1.138 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926405040 656753035 /nfs/dbraw/zinc/75/30/35/656753035.db2.gz MLQRFNMOQXTRLR-WDEREUQCSA-N 1 0 386.315 1.537 20 0 GDADRO CCON1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)CC1 ZINC000926415518 656753588 /nfs/dbraw/zinc/75/35/88/656753588.db2.gz AJIMSFUFDLSBNE-UHFFFAOYSA-N 1 0 375.922 1.932 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cs1)C(N)=O ZINC000878947275 656762413 /nfs/dbraw/zinc/76/24/13/656762413.db2.gz MMSWKRLQVKJNOF-UBHSHLNASA-N 1 0 384.571 1.840 20 0 GDADRO C[C@@H](NC(=O)Cc1c(Br)cnn1C)C1([NH+]2CCOCC2)CCCC1 ZINC000878976573 656764461 /nfs/dbraw/zinc/76/44/61/656764461.db2.gz GHKQKSKWYLHKBR-CYBMUJFWSA-N 1 0 399.333 1.875 20 0 GDADRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 ZINC000879020042 656768839 /nfs/dbraw/zinc/76/88/39/656768839.db2.gz ZNDAGWNHXWQXFQ-UKRRQHHQSA-N 1 0 385.555 1.530 20 0 GDADRO COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000879080049 656772618 /nfs/dbraw/zinc/77/26/18/656772618.db2.gz VQAJNUJDWUYBRK-SUMWQHHRSA-N 1 0 375.535 1.470 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000879090954 656773138 /nfs/dbraw/zinc/77/31/38/656773138.db2.gz CPVQPEJVYZGULX-KCQAQPDRSA-N 1 0 385.555 1.577 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)[C@@H]1SC ZINC000926639151 656775623 /nfs/dbraw/zinc/77/56/23/656775623.db2.gz NTSZMCYWCNIWTO-CYHLAULCSA-N 1 0 386.539 1.505 20 0 GDADRO C[C@]12C[NH+](C[C@@H](O)c3ccc(F)c(Br)c3)C[C@]1(C)C(=O)NC2=O ZINC000879157845 656778640 /nfs/dbraw/zinc/77/86/40/656778640.db2.gz LYKWIJFRHHIQON-DAXOMENPSA-N 1 0 385.233 1.606 20 0 GDADRO Cn1ncc(Br)c1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000879202372 656781778 /nfs/dbraw/zinc/78/17/78/656781778.db2.gz HNSXGXOHMWCBPZ-ZBFHGGJFSA-N 1 0 399.333 1.609 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000879223268 656783217 /nfs/dbraw/zinc/78/32/17/656783217.db2.gz STVFDTDXXHIHDE-QLFBSQMISA-N 1 0 375.535 1.646 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000926995674 656786867 /nfs/dbraw/zinc/78/68/67/656786867.db2.gz PGJCARCHZASLPF-ZFWWWQNUSA-N 1 0 375.535 1.646 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927025218 656787263 /nfs/dbraw/zinc/78/72/63/656787263.db2.gz FAASJFJPSCSRIX-DOMZBBRYSA-N 1 0 376.906 1.072 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C[C@@H]1C ZINC000879346986 656789391 /nfs/dbraw/zinc/78/93/91/656789391.db2.gz MVQUKBVQBXNJHM-MELADBBJSA-N 1 0 385.555 1.529 20 0 GDADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO)c1ccc(Br)cc1 ZINC000879361595 656789737 /nfs/dbraw/zinc/78/97/37/656789737.db2.gz GRQUOGLOBWCNCQ-IVMMDQJWSA-N 1 0 385.302 1.692 20 0 GDADRO C[C@H](Sc1nc(CC(=O)NCC2(C[NH+](C)C)CCCC2)cs1)C(N)=O ZINC000879474702 656796767 /nfs/dbraw/zinc/79/67/67/656796767.db2.gz CLQNWHIIPOMBCC-LBPRGKRZSA-N 1 0 384.571 1.890 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cn(C)nc2Br)cn1 ZINC000927618657 656816190 /nfs/dbraw/zinc/81/61/90/656816190.db2.gz XOMCNXNTZMMOLQ-KBPBESRZSA-N 1 0 395.305 1.268 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879693011 656819830 /nfs/dbraw/zinc/81/98/30/656819830.db2.gz VOJKARCNDCEEAN-YUELXQCFSA-N 1 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/nfs/dbraw/zinc/84/27/02/656842702.db2.gz ZCSVBOIVGJMOTM-UHFFFAOYSA-N 1 0 380.246 1.157 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)C[C@H]1C(F)(F)F ZINC000927841567 656843400 /nfs/dbraw/zinc/84/34/00/656843400.db2.gz HZROOIOKJUCEPR-RFZPGFLSSA-N 1 0 376.282 1.448 20 0 GDADRO COc1cc(Cl)c(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1C ZINC000927842183 656843899 /nfs/dbraw/zinc/84/38/99/656843899.db2.gz KXWSIBOHLMAZBJ-PSASIEDQSA-N 1 0 379.766 1.944 20 0 GDADRO Cc1nc(CC(C)C)c(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000927848748 656844906 /nfs/dbraw/zinc/84/49/06/656844906.db2.gz WXEGAKJFVUIKBN-NXEZZACHSA-N 1 0 378.420 1.937 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)Nc1cnc(Cl)c(Br)c1)C(C)C ZINC000927864429 656846660 /nfs/dbraw/zinc/84/66/60/656846660.db2.gz BTBSAGVLSKVIPP-UHFFFAOYSA-N 1 0 377.670 1.892 20 0 GDADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1cccc(Br)c1)CC2 ZINC000927876812 656848412 /nfs/dbraw/zinc/84/84/12/656848412.db2.gz RMGNXDPREGTMKR-CQSZACIVSA-N 1 0 396.285 1.744 20 0 GDADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CCNCC[NH2+]CC1 ZINC000927877348 656848557 /nfs/dbraw/zinc/84/85/57/656848557.db2.gz NAHBFLZWODPFGN-UHFFFAOYSA-N 1 0 379.675 1.607 20 0 GDADRO OCC1(CO)CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000879971233 656850286 /nfs/dbraw/zinc/85/02/86/656850286.db2.gz NWPMJSKYMZDDPC-CQSZACIVSA-N 1 0 392.265 1.395 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000927889895 656851392 /nfs/dbraw/zinc/85/13/92/656851392.db2.gz WLAPHUXTJNJXAC-QMMMGPOBSA-N 1 0 376.201 1.863 20 0 GDADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879994116 656852090 /nfs/dbraw/zinc/85/20/90/656852090.db2.gz YREYBBQILNXJFV-AWEZNQCLSA-N 1 0 399.285 1.603 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000927927980 656854581 /nfs/dbraw/zinc/85/45/81/656854581.db2.gz VHGPGMTWTFKGMV-IONNQARKSA-N 1 0 376.201 1.909 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000880025148 656855688 /nfs/dbraw/zinc/85/56/88/656855688.db2.gz YVXRDGCCLPAQHM-KBPBESRZSA-N 1 0 387.571 1.824 20 0 GDADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880049158 656857967 /nfs/dbraw/zinc/85/79/67/656857967.db2.gz JSVIFGFIVRGZON-GJSJWPQCSA-N 1 0 382.404 1.620 20 0 GDADRO Cn1cc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(Br)n1 ZINC000880060831 656862728 /nfs/dbraw/zinc/86/27/28/656862728.db2.gz YTNIRWZKFBNVIG-GFCCVEGCSA-N 1 0 386.294 1.759 20 0 GDADRO Cn1cc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c(Br)n1 ZINC000880065698 656863979 /nfs/dbraw/zinc/86/39/79/656863979.db2.gz ZFYGGYMUUJASOZ-LBPRGKRZSA-N 1 0 386.294 1.901 20 0 GDADRO O=C(CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)Nc1ccc(Br)cc1 ZINC000880071369 656865967 /nfs/dbraw/zinc/86/59/67/656865967.db2.gz YGHAVVHAQJKACP-JKSUJKDBSA-N 1 0 382.302 1.919 20 0 GDADRO O=C(COc1ccc(Br)cn1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928101181 656873923 /nfs/dbraw/zinc/87/39/23/656873923.db2.gz MPNHKBYGSREGGR-OLZOCXBDSA-N 1 0 386.315 1.919 20 0 GDADRO C[C@H]1CN(C(=O)C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)CCO1 ZINC000880221090 656876276 /nfs/dbraw/zinc/87/62/76/656876276.db2.gz JPEYHILCBGNJSQ-YLQAJVPDSA-N 1 0 383.286 1.636 20 0 GDADRO CC[C@@H](C)[NH+]1CCN(C(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)CC1 ZINC000880231735 656877790 /nfs/dbraw/zinc/87/77/90/656877790.db2.gz XAIOTBGUGITZRR-OCCSQVGLSA-N 1 0 384.571 1.984 20 0 GDADRO NS(=O)(=O)C1(CNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CCC1 ZINC000928143058 656879223 /nfs/dbraw/zinc/87/92/23/656879223.db2.gz KNLWRRSGCYVLOA-HNNXBMFYSA-N 1 0 385.917 1.632 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC[N@@H+]1C ZINC000928440763 656901785 /nfs/dbraw/zinc/90/17/85/656901785.db2.gz CRJUSZCRXOPLIV-SMDDNHRTSA-N 1 0 378.416 1.774 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2ccc3ncc(I)n3c2)CC[N@@H+]1C ZINC000928438582 656901897 /nfs/dbraw/zinc/90/18/97/656901897.db2.gz KDROHPLYUBHDFP-MWLCHTKSSA-N 1 0 384.221 1.761 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928456960 656904288 /nfs/dbraw/zinc/90/42/88/656904288.db2.gz TZRRYHXSVWFJIA-KBMXLJTQSA-N 1 0 385.555 1.295 20 0 GDADRO C[N@@H+]1CC[C@@H]1CNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000928569422 656917460 /nfs/dbraw/zinc/91/74/60/656917460.db2.gz QKYMFRJJHGHKSZ-SNVBAGLBSA-N 1 0 380.297 1.482 20 0 GDADRO CCCC[NH+]1CCC(NC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1 ZINC000881117071 656918620 /nfs/dbraw/zinc/91/86/20/656918620.db2.gz JXQCIUNCYLLKHZ-UHFFFAOYSA-N 1 0 386.543 2.000 20 0 GDADRO [NH3+]C1CCN(CCc2cn(C[C@H](O)c3ccccc3Br)nn2)CC1 ZINC000881420449 656935442 /nfs/dbraw/zinc/93/54/42/656935442.db2.gz XIAAOTYIDGGVID-KRWDZBQOSA-N 1 0 394.317 1.740 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881469813 656939275 /nfs/dbraw/zinc/93/92/75/656939275.db2.gz OXJQCIWBLJPNIZ-ZDUSSCGKSA-N 1 0 385.306 1.485 20 0 GDADRO Cn1ncc(Br)c1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000881625869 656942740 /nfs/dbraw/zinc/94/27/40/656942740.db2.gz WMZURXCLCGMXBQ-UHFFFAOYSA-N 1 0 398.305 1.129 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000929090009 656947512 /nfs/dbraw/zinc/94/75/12/656947512.db2.gz GKSKSSWUGYCAQN-HNNXBMFYSA-N 1 0 397.317 1.966 20 0 GDADRO CN(C)[S@@](C)(=O)=NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000881822876 656966659 /nfs/dbraw/zinc/96/66/59/656966659.db2.gz BLHKJPKKUSUIPR-FYSMJZIKSA-N 1 0 388.559 1.307 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCS1 ZINC000929535789 656971162 /nfs/dbraw/zinc/97/11/62/656971162.db2.gz GEWCCKWZRQGDFU-HUUCEWRRSA-N 1 0 385.599 1.865 20 0 GDADRO CCC[C@H](C(=O)OCC)S(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000881863571 656975248 /nfs/dbraw/zinc/97/52/48/656975248.db2.gz BSVRWAHJNJEQIA-OAHLLOKOSA-N 1 0 376.519 1.283 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000881936657 656997246 /nfs/dbraw/zinc/99/72/46/656997246.db2.gz BRIHQJMSEMFQEJ-KBPBESRZSA-N 1 0 386.389 1.763 20 0 GDADRO CS[C@@H]1CN(Cc2c(I)cnn2C)C[C@@H]1[NH+](C)C ZINC000930126065 657001783 /nfs/dbraw/zinc/00/17/83/657001783.db2.gz ABCSNXONKJVEGJ-NWDGAFQWSA-N 1 0 380.299 1.502 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000881966600 657006680 /nfs/dbraw/zinc/00/66/80/657006680.db2.gz GVFWTBOOOKUZLD-OZYPNJIESA-N 1 0 388.559 1.306 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000930218218 657008455 /nfs/dbraw/zinc/00/84/55/657008455.db2.gz LQBLBUBELUQJNP-UHFFFAOYSA-N 1 0 394.317 1.854 20 0 GDADRO CC1CC[NH+](C2CCC(NS(=O)(=O)N=[S@](C)(=O)N(C)C)CC2)CC1 ZINC000882011835 657019706 /nfs/dbraw/zinc/01/97/06/657019706.db2.gz HCGSEVMAMGKQKT-ITWBZBEWSA-N 1 0 380.580 1.438 20 0 GDADRO Cn1cc(C2=NC[C@H](C[NH2+][C@](C)(CO)c3ccc(Br)cc3)O2)cn1 ZINC000930452479 657026837 /nfs/dbraw/zinc/02/68/37/657026837.db2.gz WUHUGVGGMOZUNH-NVXWUHKLSA-N 1 0 393.285 1.825 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc3nnc(Br)n3n2)C1 ZINC000882045492 657028880 /nfs/dbraw/zinc/02/88/80/657028880.db2.gz CKKVWAVQHKWGMX-GFCCVEGCSA-N 1 0 383.294 1.824 20 0 GDADRO COC[C@@H]1CCC[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000930678727 657042199 /nfs/dbraw/zinc/04/21/99/657042199.db2.gz YSWQKXOMZMNXBA-HZPDHXFCSA-N 1 0 376.563 1.736 20 0 GDADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCS[C@@H](C(F)(F)F)C1 ZINC000930744624 657046381 /nfs/dbraw/zinc/04/63/81/657046381.db2.gz YIUNTERXBSAHHJ-CYBMUJFWSA-N 1 0 379.448 1.483 20 0 GDADRO C[C@H](CO)C1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000930857952 657055851 /nfs/dbraw/zinc/05/58/51/657055851.db2.gz MXRBEOUPKRDYDG-ZBFHGGJFSA-N 1 0 376.563 1.328 20 0 GDADRO C[N@@H+]1CCN(CCNS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1(C)C ZINC000882158915 657057775 /nfs/dbraw/zinc/05/77/75/657057775.db2.gz XLEKGPDDGVNECB-DEOSSOPVSA-N 1 0 394.607 1.277 20 0 GDADRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000930913312 657058878 /nfs/dbraw/zinc/05/88/78/657058878.db2.gz DQLKJSGGZGNNFJ-JTNHKYCSSA-N 1 0 393.285 1.931 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1=O ZINC000930977837 657063395 /nfs/dbraw/zinc/06/33/95/657063395.db2.gz MQEKCVJNNWAYTP-ZDUSSCGKSA-N 1 0 398.301 1.475 20 0 GDADRO O[C@@H](C[NH+]1CCN(c2ccc(Br)cc2)CC1)C[C@]1(O)CCOC1 ZINC000930993751 657064047 /nfs/dbraw/zinc/06/40/47/657064047.db2.gz IDNIGUHSLLWMDQ-IAGOWNOFSA-N 1 0 385.302 1.474 20 0 GDADRO Cn1cc([C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C(F)(F)F)cn1 ZINC000931105988 657071914 /nfs/dbraw/zinc/07/19/14/657071914.db2.gz SYGVHZSTOPZVIJ-XQQFMLRXSA-N 1 0 377.436 1.903 20 0 GDADRO C[C@]1(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS(=O)(=O)N1 ZINC000931167852 657075836 /nfs/dbraw/zinc/07/58/36/657075836.db2.gz DPWDDPWRCATPCE-QGZVFWFLSA-N 1 0 383.539 1.646 20 0 GDADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C ZINC000882234816 657079040 /nfs/dbraw/zinc/07/90/40/657079040.db2.gz YDBGAHADPPZIMY-DEOSSOPVSA-N 1 0 388.559 1.651 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Br)cc1 ZINC000931229891 657084482 /nfs/dbraw/zinc/08/44/82/657084482.db2.gz XZSIYPHAHBNFNN-KBPBESRZSA-N 1 0 377.304 1.626 20 0 GDADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+](CCCCCO)CC1 ZINC000931497454 657103744 /nfs/dbraw/zinc/10/37/44/657103744.db2.gz RWWJWCOSDAFOEZ-INIZCTEOSA-N 1 0 384.318 1.756 20 0 GDADRO Cc1ccc(Br)c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000931584608 657109955 /nfs/dbraw/zinc/10/99/55/657109955.db2.gz SBZNFRQGSCMNHF-LBPRGKRZSA-N 1 0 383.290 1.470 20 0 GDADRO COc1ccc(F)cc1CS(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000882388344 657110723 /nfs/dbraw/zinc/11/07/23/657110723.db2.gz IAICMBCZJHDMAT-AWEZNQCLSA-N 1 0 375.510 1.526 20 0 GDADRO COC1(OC)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1O ZINC000931642345 657115699 /nfs/dbraw/zinc/11/56/99/657115699.db2.gz QRDHLQUONWALKH-DOMZBBRYSA-N 1 0 380.268 1.789 20 0 GDADRO CC[C@H]([NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@H]1CCCOC1 ZINC000931701527 657122505 /nfs/dbraw/zinc/12/25/05/657122505.db2.gz VISFKUXLXZEBMH-JYJNAYRXSA-N 1 0 376.563 1.783 20 0 GDADRO CC[N@@H+]1CC[C@H]1CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000882479702 657130999 /nfs/dbraw/zinc/13/09/99/657130999.db2.gz CPZPYLLZCHUGNF-NSHDSACASA-N 1 0 380.242 1.256 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN1CCc2ccc(Br)c(F)c2C1 ZINC000932013403 657144475 /nfs/dbraw/zinc/14/44/75/657144475.db2.gz CFIMOXWJNRJELP-ZDUSSCGKSA-N 1 0 375.282 1.885 20 0 GDADRO Cn1cc(Br)c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1=O ZINC000932034611 657145197 /nfs/dbraw/zinc/14/51/97/657145197.db2.gz NFPXUTUGWQHVLV-LBPRGKRZSA-N 1 0 386.290 1.331 20 0 GDADRO Cn1cc(Br)c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1=O ZINC000932050658 657146002 /nfs/dbraw/zinc/14/60/02/657146002.db2.gz ZCHILAHOACQBGJ-UHFFFAOYSA-N 1 0 398.301 1.523 20 0 GDADRO O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000882556149 657149675 /nfs/dbraw/zinc/14/96/75/657149675.db2.gz FNPUJQJFBWNCPN-WDEREUQCSA-N 1 0 376.391 1.879 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccccc1[S@](=O)C(F)(F)F ZINC000932186789 657156702 /nfs/dbraw/zinc/15/67/02/657156702.db2.gz OYWSPVIFAZCECY-YDBLSZJJSA-N 1 0 377.432 1.680 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1nc(Br)c2ccccn21 ZINC000932188274 657156787 /nfs/dbraw/zinc/15/67/87/657156787.db2.gz ZRBIDFIVGRTWQV-LBPRGKRZSA-N 1 0 380.290 1.463 20 0 GDADRO COC(=O)CN(C)C(=O)CC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000932208833 657160502 /nfs/dbraw/zinc/16/05/02/657160502.db2.gz NHZNGSFEUWNGFR-ZDUSSCGKSA-N 1 0 385.258 1.884 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1nc(Cl)ccc1Cl ZINC000882630814 657164634 /nfs/dbraw/zinc/16/46/34/657164634.db2.gz VMLBXXROIGDMKF-ZDUSSCGKSA-N 1 0 387.311 1.915 20 0 GDADRO CC1([NH+]2CCOCC2)CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000882659951 657181515 /nfs/dbraw/zinc/18/15/15/657181515.db2.gz HNXLCWKYIOEXMX-UHFFFAOYSA-N 1 0 381.278 1.578 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2ccccc2[S@](=O)C(F)(F)F)CC1 ZINC000932703795 657211428 /nfs/dbraw/zinc/21/14/28/657211428.db2.gz OWZRFGLSCLNMPN-VWLOTQADSA-N 1 0 377.432 1.681 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000932704410 657211500 /nfs/dbraw/zinc/21/15/00/657211500.db2.gz UHFMABIWTWVYHF-ZDUSSCGKSA-N 1 0 394.317 1.853 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000932723642 657214412 /nfs/dbraw/zinc/21/44/12/657214412.db2.gz OJMXDOFUQSYVKG-UHFFFAOYSA-N 1 0 386.294 1.011 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000932727512 657214803 /nfs/dbraw/zinc/21/48/03/657214803.db2.gz RDYYNUCAAASFPK-GFCCVEGCSA-N 1 0 384.322 1.728 20 0 GDADRO CNC(=O)NC(=O)[C@H](C)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932811195 657223498 /nfs/dbraw/zinc/22/34/98/657223498.db2.gz GZHNCXLJJWGJNS-ZBEGNZNMSA-N 1 0 384.274 1.577 20 0 GDADRO COCCOC[C@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932816078 657224280 /nfs/dbraw/zinc/22/42/80/657224280.db2.gz IZJJEDXZPVFUQS-IAGOWNOFSA-N 1 0 388.302 1.756 20 0 GDADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000933038685 657248566 /nfs/dbraw/zinc/24/85/66/657248566.db2.gz GXAKYYJGYXTGOZ-WFASDCNBSA-N 1 0 389.279 1.618 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)cn2ncnc12 ZINC000933131858 657261488 /nfs/dbraw/zinc/26/14/88/657261488.db2.gz FLLUPAACQGDQAB-UHFFFAOYSA-N 1 0 382.262 1.068 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](CO)CC1CCC1 ZINC000883126289 657274108 /nfs/dbraw/zinc/27/41/08/657274108.db2.gz LDEMEKKQFGGRHB-KBPBESRZSA-N 1 0 375.922 1.845 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)ccc1S(C)(=O)=O ZINC000883306567 657281619 /nfs/dbraw/zinc/28/16/19/657281619.db2.gz YHJNGXYFIVUKGC-OCCSQVGLSA-N 1 0 375.512 1.717 20 0 GDADRO Cn1ccn2c(C[NH2+][C@H]3CCc4cccc(Br)c4C3)nnc2c1=O ZINC000883332577 657282390 /nfs/dbraw/zinc/28/23/90/657282390.db2.gz YFKXERSSUUGCNE-LBPRGKRZSA-N 1 0 388.269 1.838 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCc1sccc1Br ZINC000883346610 657282831 /nfs/dbraw/zinc/28/28/31/657282831.db2.gz DEXYPVCOIZLVIK-GFCCVEGCSA-N 1 0 389.363 1.988 20 0 GDADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883374438 657284659 /nfs/dbraw/zinc/28/46/59/657284659.db2.gz CGHUULBWFCSELM-LXFSFDBISA-N 1 0 376.519 1.470 20 0 GDADRO NS(=O)(=O)c1ccc(C2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000933551041 657287007 /nfs/dbraw/zinc/28/70/07/657287007.db2.gz NFBWMNNVPBVMKM-CQSZACIVSA-N 1 0 386.539 1.338 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CC[NH2+]CCC23CCC3)c1 ZINC000883457827 657288180 /nfs/dbraw/zinc/28/81/80/657288180.db2.gz ORYRBNGCHSCLHI-UHFFFAOYSA-N 1 0 385.917 1.900 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)ccc1F ZINC000883470005 657288564 /nfs/dbraw/zinc/28/85/64/657288564.db2.gz IVBKEAZEYPJYDP-UHFFFAOYSA-N 1 0 386.367 1.904 20 0 GDADRO COC(=O)C1(c2ccc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)cc2)CC1 ZINC000883472056 657289921 /nfs/dbraw/zinc/28/99/21/657289921.db2.gz LQGGHIZGSXARTI-UHFFFAOYSA-N 1 0 380.388 1.403 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH2+]C)cc1F ZINC000883474125 657290470 /nfs/dbraw/zinc/29/04/70/657290470.db2.gz CFTDSZNIIOOJQF-GFCCVEGCSA-N 1 0 393.506 1.350 20 0 GDADRO CCc1nc(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)cn1CC1CC1 ZINC000883480456 657291421 /nfs/dbraw/zinc/29/14/21/657291421.db2.gz CZMWFQXWDBHGCU-UHFFFAOYSA-N 1 0 381.527 1.518 20 0 GDADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933695008 657297323 /nfs/dbraw/zinc/29/73/23/657297323.db2.gz CEKVBDNUJOKIKF-TUVASFSCSA-N 1 0 375.535 1.346 20 0 GDADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000883592990 657300255 /nfs/dbraw/zinc/30/02/55/657300255.db2.gz YNJQVGYFJXJIKF-DTORHVGOSA-N 1 0 381.230 1.463 20 0 GDADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cnn(C)c1I ZINC000933735016 657306776 /nfs/dbraw/zinc/30/67/76/657306776.db2.gz IKIGMJYALSYLMY-NSHDSACASA-N 1 0 391.257 1.829 20 0 GDADRO CSC1(CNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)CC[NH+](C)CC1 ZINC000883701931 657307155 /nfs/dbraw/zinc/30/71/55/657307155.db2.gz ABFBYTNZZVCWOP-VIFPVBQESA-N 1 0 379.395 1.672 20 0 GDADRO O=C(NCc1ncc(Cl)s1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883766140 657310697 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[NH3+]CC[C@@H](NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)C(F)(F)F ZINC000884303173 657344513 /nfs/dbraw/zinc/34/45/13/657344513.db2.gz IOBWJMPNVRCOJO-GHMZBOCLSA-N 1 0 395.175 1.927 20 0 GDADRO COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884316226 657345220 /nfs/dbraw/zinc/34/52/20/657345220.db2.gz MPEKAPARXZKWOH-WBMJQRKESA-N 1 0 398.301 1.545 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000884334977 657348385 /nfs/dbraw/zinc/34/83/85/657348385.db2.gz HGFORFAVZFGEGQ-LLVKDONJSA-N 1 0 377.869 1.119 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000884382397 657351855 /nfs/dbraw/zinc/35/18/55/657351855.db2.gz IIVHDDOVJWQRKK-ZOWXZIJZSA-N 1 0 385.306 1.470 20 0 GDADRO [NH3+][C@H](C(=O)N1CCC(Cn2cnnc2)CC1)c1ccc(Br)cc1 ZINC000884383385 657351940 /nfs/dbraw/zinc/35/19/40/657351940.db2.gz IUCGOFPWWQOIHK-HNNXBMFYSA-N 1 0 378.274 1.979 20 0 GDADRO Cc1cnc([C@H](C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)s1 ZINC000884494068 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393.285 1.825 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(OC)c(Br)c1 ZINC000884585448 657365957 /nfs/dbraw/zinc/36/59/57/657365957.db2.gz KWNDPHMWWIWQCV-CYBMUJFWSA-N 1 0 398.301 1.674 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@H]1CCCc3sccc31)C2 ZINC000884615665 657367017 /nfs/dbraw/zinc/36/70/17/657367017.db2.gz LKCZIMVLYHGXDJ-NSHDSACASA-N 1 0 376.507 1.742 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)Cc1cccs1 ZINC000884620693 657367037 /nfs/dbraw/zinc/36/70/37/657367037.db2.gz IKRFUJZOMZMGGD-GMXVVIOVSA-N 1 0 377.432 1.639 20 0 GDADRO CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884644007 657368931 /nfs/dbraw/zinc/36/89/31/657368931.db2.gz AHOGMWBPDCEJOJ-ZDEQEGDKSA-N 1 0 381.464 1.763 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884660017 657369387 /nfs/dbraw/zinc/36/93/87/657369387.db2.gz JIIXZEJPXKHHCY-SCVCMEIPSA-N 1 0 384.274 1.583 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884656414 657369418 /nfs/dbraw/zinc/36/94/18/657369418.db2.gz GNVKRXSXRSXEDA-LSDHHAIUSA-N 1 0 398.276 1.600 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)NCCc1ccc(Cl)cc1)C2 ZINC000884666734 657369891 /nfs/dbraw/zinc/36/98/91/657369891.db2.gz MJOCEENOXURAID-UHFFFAOYSA-N 1 0 378.885 1.499 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1)C1CC1 ZINC000884678834 657370512 /nfs/dbraw/zinc/37/05/12/657370512.db2.gz NONBHOCOLIDEFU-CQSZACIVSA-N 1 0 380.286 1.450 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1cccc(Br)c1 ZINC000884694483 657373424 /nfs/dbraw/zinc/37/34/24/657373424.db2.gz NZYSKEJYPOFBAF-GJZGRUSLSA-N 1 0 398.301 1.511 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000884720479 657375329 /nfs/dbraw/zinc/37/53/29/657375329.db2.gz NXHWRIRTQZSYPM-KWQFWETISA-N 1 0 378.782 1.484 20 0 GDADRO OC[C@@H]([NH2+]CCN1CCOCC1)c1ccccc1I ZINC000934826855 657380422 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O=C(NCc1ccc(Br)cn1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000885024323 657407225 /nfs/dbraw/zinc/40/72/25/657407225.db2.gz YQHFYXVBOJOGPF-INIZCTEOSA-N 1 0 381.274 1.062 20 0 GDADRO COC[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1cccc(Br)c1 ZINC000885027550 657408999 /nfs/dbraw/zinc/40/89/99/657408999.db2.gz FEDJKLRELLEIEN-ZDUSSCGKSA-N 1 0 386.290 1.449 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCc2ncc(Br)s2)C1 ZINC000885030638 657410405 /nfs/dbraw/zinc/41/04/05/657410405.db2.gz DQTZWLJNTDLIOA-SECBINFHSA-N 1 0 375.292 1.109 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935260561 657418350 /nfs/dbraw/zinc/41/83/50/657418350.db2.gz RTBLSMKOOLLRDZ-UHFFFAOYSA-N 1 0 383.242 1.864 20 0 GDADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000885108991 657421308 /nfs/dbraw/zinc/42/13/08/657421308.db2.gz DIGLEHDPNLLBBG-KCJUWKMLSA-N 1 0 376.766 1.190 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)c1cc(Br)cn2ncnc12 ZINC000935370782 657427272 /nfs/dbraw/zinc/42/72/72/657427272.db2.gz JKFZPAYEJSPNNS-UHFFFAOYSA-N 1 0 384.278 1.580 20 0 GDADRO CC(C)([NH3+])CCNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000885200776 657428436 /nfs/dbraw/zinc/42/84/36/657428436.db2.gz KNANLTBKKURRQS-AWEZNQCLSA-N 1 0 398.301 1.593 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000935399490 657429552 /nfs/dbraw/zinc/42/95/52/657429552.db2.gz KRGYHWUZJYWZQA-MLGOLLRUSA-N 1 0 382.258 1.058 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000885241281 657432844 /nfs/dbraw/zinc/43/28/44/657432844.db2.gz FSQHOBZCHBDAKC-MRVPVSSYSA-N 1 0 396.207 1.890 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000885241282 657432886 /nfs/dbraw/zinc/43/28/86/657432886.db2.gz FSQHOBZCHBDAKC-QMMMGPOBSA-N 1 0 396.207 1.890 20 0 GDADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(S(=O)(=O)c3ccns3)C2)ccn1 ZINC000885316142 657453090 /nfs/dbraw/zinc/45/30/90/657453090.db2.gz QNGSWQWLRKBXHP-HNNXBMFYSA-N 1 0 382.511 1.832 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)C[C@H]2C1 ZINC000935699162 657470946 /nfs/dbraw/zinc/47/09/46/657470946.db2.gz VGDDLJSJTCIGRV-WDMOLILDSA-N 1 0 378.270 1.895 20 0 GDADRO CC(C)(C)[NH2+]CCC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000935852616 657501753 /nfs/dbraw/zinc/50/17/53/657501753.db2.gz ZYATURHKMZBQPZ-UHFFFAOYSA-N 1 0 379.885 1.652 20 0 GDADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(=O)n(C)cc2Br)CC1 ZINC000936064688 657547675 /nfs/dbraw/zinc/54/76/75/657547675.db2.gz UXACXMIBWODKHY-LBPRGKRZSA-N 1 0 398.301 1.473 20 0 GDADRO CO[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000942003374 657555833 /nfs/dbraw/zinc/55/58/33/657555833.db2.gz DDLGCKFASVOTDT-FDYHWXHSSA-N 1 0 385.917 1.697 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885885426 657583417 /nfs/dbraw/zinc/58/34/17/657583417.db2.gz FNEHHNPDBXQQRG-LBPRGKRZSA-N 1 0 384.274 1.841 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885889026 657584678 /nfs/dbraw/zinc/58/46/78/657584678.db2.gz VTKOOISAXMDGQU-GFCCVEGCSA-N 1 0 384.274 1.841 20 0 GDADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(Cl)cs1)C2)C1CC1 ZINC000999572137 657662423 /nfs/dbraw/zinc/66/24/23/657662423.db2.gz JCLWGMPSKXKGRH-UHXUPSOCSA-N 1 0 382.917 1.998 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2csc(Cl)n2)C3)C1 ZINC001000371627 657669473 /nfs/dbraw/zinc/66/94/73/657669473.db2.gz LJEUNWBHMCLXTQ-OPDFLTKYSA-N 1 0 382.917 2.000 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000886736802 657686918 /nfs/dbraw/zinc/68/69/18/657686918.db2.gz KSPVWVDSOUWRGK-KGLIPLIRSA-N 1 0 375.535 1.693 20 0 GDADRO OC[C@@]1(C(F)(F)F)CCN(CCC[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)C1 ZINC000886808812 657697853 /nfs/dbraw/zinc/69/78/53/657697853.db2.gz PSMFOEGXIBMMLQ-BETUJISGSA-N 1 0 378.357 1.870 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1Br ZINC000886882245 657715192 /nfs/dbraw/zinc/71/51/92/657715192.db2.gz KWGLEAZXMGHONJ-LLVKDONJSA-N 1 0 393.303 1.586 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2CCC[NH2+]CC2)cc1Br ZINC000886882513 657716021 /nfs/dbraw/zinc/71/60/21/657716021.db2.gz VFOSWBNUGRPFEQ-UHFFFAOYSA-N 1 0 393.303 1.458 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000886890364 657718907 /nfs/dbraw/zinc/71/89/07/657718907.db2.gz GLCBGYJNDCHWLB-KRWDZBQOSA-N 1 0 375.535 1.649 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C(=O)OC)ccc1Br ZINC000886890245 657718968 /nfs/dbraw/zinc/71/89/68/657718968.db2.gz BQOMUMQAPNRLOC-NSHDSACASA-N 1 0 391.287 1.608 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(CC)[C@@H]2CC[NH2+]C2)c1 ZINC000886891790 657720332 /nfs/dbraw/zinc/72/03/32/657720332.db2.gz HBMIYRWGDADRHG-CQSZACIVSA-N 1 0 389.543 1.090 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)ccc1C(=O)OC ZINC000886893454 657720899 /nfs/dbraw/zinc/72/08/99/657720899.db2.gz VXKCEZOKDIBQNM-NSHDSACASA-N 1 0 391.287 1.608 20 0 GDADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1cc2c(cc1Cl)OCCO2 ZINC000886896869 657723237 /nfs/dbraw/zinc/72/32/37/657723237.db2.gz XIVOLWXMBAPLQG-SECBINFHSA-N 1 0 382.816 1.634 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886897588 657723930 /nfs/dbraw/zinc/72/39/30/657723930.db2.gz BIMHWBHYUPFATF-SECBINFHSA-N 1 0 399.257 1.981 20 0 GDADRO COC(=O)c1cc(C)c(F)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000886898176 657724885 /nfs/dbraw/zinc/72/48/85/657724885.db2.gz TUAVCKMUYRIWJT-NSHDSACASA-N 1 0 380.388 1.444 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886900763 657726272 /nfs/dbraw/zinc/72/62/72/657726272.db2.gz HGWVXJCTCNNXFR-MRXNPFEDSA-N 1 0 375.441 1.880 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4nc(Cl)cs4)[C@@H]3C2)CC[N@@H+]1C ZINC001022470916 657741141 /nfs/dbraw/zinc/74/11/41/657741141.db2.gz NFTCKIIFHGEKRX-YVECIDJPSA-N 1 0 382.917 1.810 20 0 GDADRO O=C(Nc1ccc(Br)nc1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887039234 657741954 /nfs/dbraw/zinc/74/19/54/657741954.db2.gz FKSRLYRCIHTNHP-INIZCTEOSA-N 1 0 381.274 1.775 20 0 GDADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887039304 657742040 /nfs/dbraw/zinc/74/20/40/657742040.db2.gz HIMJBUAFMNLBMY-MRXNPFEDSA-N 1 0 381.274 1.775 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccsc3Cl)C2)CC[N@@H+]1C ZINC001023697147 657742793 /nfs/dbraw/zinc/74/27/93/657742793.db2.gz HSLXCIJCOGPBNI-IGHBBLSQSA-N 1 0 385.917 1.433 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3csc(Cl)c3)C[C@H]2O)CC[N@@H+]1C ZINC001023980541 657745373 /nfs/dbraw/zinc/74/53/73/657745373.db2.gz TVQMDHZMNSXUNQ-REWJHTLYSA-N 1 0 385.917 1.433 20 0 GDADRO [NH3+][C@H]1CCCN(Cc2cn(Cc3cn4cc(Br)ccc4n3)nn2)C1 ZINC000887440721 657783120 /nfs/dbraw/zinc/78/31/20/657783120.db2.gz OIAUAJDDDZGBFI-ZDUSSCGKSA-N 1 0 390.289 1.660 20 0 GDADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3cn4cc(Br)ccc4n3)nn2)C1 ZINC000887440720 657783479 /nfs/dbraw/zinc/78/34/79/657783479.db2.gz OIAUAJDDDZGBFI-CYBMUJFWSA-N 1 0 390.289 1.660 20 0 GDADRO Cn1nc(C(F)(F)F)c(Cn2cc(CN3CCC[C@H]([NH3+])C3)nn2)c1Cl ZINC000887447119 657783501 /nfs/dbraw/zinc/78/35/01/657783501.db2.gz SRQFHRROFAZZFR-VIFPVBQESA-N 1 0 377.802 1.655 20 0 GDADRO [NH3+][C@H]1CCCN(Cc2cn(C[C@H](O)c3ccc(F)c(Br)c3)nn2)C1 ZINC000887451242 657784210 /nfs/dbraw/zinc/78/42/10/657784210.db2.gz JYSPGKTUBPIXCA-LRDDRELGSA-N 1 0 398.280 1.836 20 0 GDADRO CC(=O)NCCc1nc(-c2cn(CCC[NH+]3CCSCC3)nn2)cs1 ZINC000887502594 657785736 /nfs/dbraw/zinc/78/57/36/657785736.db2.gz SLDJETGCAATATM-UHFFFAOYSA-N 1 0 380.543 1.519 20 0 GDADRO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889752685 658031494 /nfs/dbraw/zinc/03/14/94/658031494.db2.gz XSSBNVGNKNPFTE-STQMWFEESA-N 1 0 397.317 1.653 20 0 GDADRO CC[C@@H](C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O)[NH+](CC)CC ZINC000889812641 658045603 /nfs/dbraw/zinc/04/56/03/658045603.db2.gz CMCJSUHDWCFDNG-OLZOCXBDSA-N 1 0 383.290 1.944 20 0 GDADRO CN(C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000890161945 658086059 /nfs/dbraw/zinc/08/60/59/658086059.db2.gz DGMHQOBNTDEKEC-AULYBMBSSA-N 1 0 385.452 1.620 20 0 GDADRO O=C(NCC[NH+]1CCC1)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000890198052 658090945 /nfs/dbraw/zinc/09/09/45/658090945.db2.gz URZQDCMBDPOEIH-AWEZNQCLSA-N 1 0 381.274 1.707 20 0 GDADRO CN(CC(C)(C)C[NH+](C)C)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000890878414 658157312 /nfs/dbraw/zinc/15/73/12/658157312.db2.gz IHCVEFSEOWYPDJ-ZDUSSCGKSA-N 1 0 387.571 1.634 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)CC[N@@H+]1C ZINC000891259248 658211985 /nfs/dbraw/zinc/21/19/85/658211985.db2.gz LFBCNAUBKQKNGS-RMRHIDDWSA-N 1 0 382.448 1.685 20 0 GDADRO CC[NH+](CC)CCNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000891412871 658236685 /nfs/dbraw/zinc/23/66/85/658236685.db2.gz GHXMMSXCDQLEDT-LBPRGKRZSA-N 1 0 384.278 1.348 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891538933 658249203 /nfs/dbraw/zinc/24/92/03/658249203.db2.gz XFJREJVESPRSLA-XBXGTLAGSA-N 1 0 397.317 1.834 20 0 GDADRO CS(=O)(=O)C[C@H](NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000891748445 658269519 /nfs/dbraw/zinc/26/95/19/658269519.db2.gz QPHCUTFJUWWZGL-KGLIPLIRSA-N 1 0 375.441 1.316 20 0 GDADRO CN(C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000891768184 658271660 /nfs/dbraw/zinc/27/16/60/658271660.db2.gz RMIDFMUNLPCNPW-CQSZACIVSA-N 1 0 388.921 1.354 20 0 GDADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891858373 658278060 /nfs/dbraw/zinc/27/80/60/658278060.db2.gz OTVMCXHAOYQAEE-FPMFFAJLSA-N 1 0 379.258 1.310 20 0 GDADRO CS(=O)(=O)CC1CCC(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891926131 658283077 /nfs/dbraw/zinc/28/30/77/658283077.db2.gz FAKNOJMBZXCVRG-PYNQCMFNSA-N 1 0 385.452 1.368 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000891969364 658286931 /nfs/dbraw/zinc/28/69/31/658286931.db2.gz XIAXGXZUMQVBQD-USXIJHARSA-N 1 0 393.329 1.682 20 0 GDADRO COCC[NH2+]CCNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892057317 658294185 /nfs/dbraw/zinc/29/41/85/658294185.db2.gz XZUWXBWCZQDRSY-UHFFFAOYSA-N 1 0 396.289 1.670 20 0 GDADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000892180468 658302493 /nfs/dbraw/zinc/30/24/93/658302493.db2.gz NYAGNUBNCYRJMR-HIFRSBDPSA-N 1 0 392.283 1.363 20 0 GDADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC[N@H+](C)CCO ZINC000892211268 658308874 /nfs/dbraw/zinc/30/88/74/658308874.db2.gz UPHXQTNFQSETMB-UHFFFAOYSA-N 1 0 392.681 1.390 20 0 GDADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC[N@H+](C)CCO)c1Br ZINC000892213606 658309193 /nfs/dbraw/zinc/30/91/93/658309193.db2.gz DLUWGCQHQDNMDA-UHFFFAOYSA-N 1 0 392.681 1.390 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCNC(=O)c3ccc(Br)cc3)[C@@H]2C1 ZINC000892227657 658311463 /nfs/dbraw/zinc/31/14/63/658311463.db2.gz JKRMHXBCCRQEKJ-UKRRQHHQSA-N 1 0 395.301 1.524 20 0 GDADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892232206 658312758 /nfs/dbraw/zinc/31/27/58/658312758.db2.gz RDNWHLCMZQIURR-XQHKEYJVSA-N 1 0 391.299 1.537 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000892322403 658317776 /nfs/dbraw/zinc/31/77/76/658317776.db2.gz LNHWKSBRBJDDQJ-VNQPRFMTSA-N 1 0 382.302 1.965 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 ZINC000892354162 658320443 /nfs/dbraw/zinc/32/04/43/658320443.db2.gz QZGJLVROUPKRFQ-YIYPIFLZSA-N 1 0 385.555 1.527 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000892583123 658335041 /nfs/dbraw/zinc/33/50/41/658335041.db2.gz NBLAHFPUVUVRLD-RIEGTJTDSA-N 1 0 381.270 1.987 20 0 GDADRO CCS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892867373 658356330 /nfs/dbraw/zinc/35/63/30/658356330.db2.gz YEDZAAJKWDWWHJ-ZIAGYGMSSA-N 1 0 376.519 1.473 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC000892902099 658358701 /nfs/dbraw/zinc/35/87/01/658358701.db2.gz DPWYWYAGAYCGRV-JKSUJKDBSA-N 1 0 375.535 1.096 20 0 GDADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000892921851 658360185 /nfs/dbraw/zinc/36/01/85/658360185.db2.gz DMOMNXPZYVDQSB-HOCLYGCPSA-N 1 0 388.555 1.427 20 0 GDADRO CCOC(=O)c1ncc(Br)c(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)n1 ZINC000892999206 658366272 /nfs/dbraw/zinc/36/62/72/658366272.db2.gz BUBPBSTVMULPTP-GHMZBOCLSA-N 1 0 389.319 1.898 20 0 GDADRO C[C@]1(Br)C[C@@H]1C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000893441801 658409729 /nfs/dbraw/zinc/40/97/29/658409729.db2.gz UBYOLICLACXNEA-MCIONIFRSA-N 1 0 381.336 1.286 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(Cc3nc(Br)nn3C)CC2)CC1 ZINC000894083037 658504011 /nfs/dbraw/zinc/50/40/11/658504011.db2.gz ASLKGINYZHZUAD-UHFFFAOYSA-N 1 0 385.354 1.568 20 0 GDADRO Cn1nc(Br)nc1CNC[C@@H](c1cccs1)N1CCOCC1 ZINC000894151150 658512335 /nfs/dbraw/zinc/51/23/35/658512335.db2.gz XKRWZCLAHIDBRT-NSHDSACASA-N 1 0 386.319 1.802 20 0 GDADRO COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1(F)F ZINC000894196747 658519441 /nfs/dbraw/zinc/51/94/41/658519441.db2.gz BAHGCFFRPIYKNQ-BPNCWPANSA-N 1 0 376.425 1.642 20 0 GDADRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)C1(F)F ZINC000894199314 658519689 /nfs/dbraw/zinc/51/96/89/658519689.db2.gz MZHVPUXCJZTWLH-KBPBESRZSA-N 1 0 376.425 1.517 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000894398072 658551680 /nfs/dbraw/zinc/55/16/80/658551680.db2.gz LJXJFZKFWRUTAV-GASCZTMLSA-N 1 0 375.535 1.551 20 0 GDADRO CN(C)S(=O)(=O)NCC[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000894419193 658553838 /nfs/dbraw/zinc/55/38/38/658553838.db2.gz PJNJQMWVCMNXKM-MRXNPFEDSA-N 1 0 378.539 1.009 20 0 GDADRO O=c1ccc(Br)cn1CC[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894666478 658596133 /nfs/dbraw/zinc/59/61/33/658596133.db2.gz IMSUJQMAEIOQFR-QWHCGFSZSA-N 1 0 375.238 1.834 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000894901841 658633568 /nfs/dbraw/zinc/63/35/68/658633568.db2.gz HOPUBSGJLDTBOS-RISCZKNCSA-N 1 0 375.254 1.911 20 0 GDADRO CC(C)(C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@@]1(O)CCOC1 ZINC000895087019 658659433 /nfs/dbraw/zinc/65/94/33/658659433.db2.gz ZAAAMLPUJIHFIO-MRXNPFEDSA-N 1 0 375.922 1.900 20 0 GDADRO O=S1(=O)C[C@@H](C[NH2+]Cc2ncc(Br)cc2O)Oc2ccccc21 ZINC000895089901 658661136 /nfs/dbraw/zinc/66/11/36/658661136.db2.gz FHPXUDYZYORRKO-LLVKDONJSA-N 1 0 399.266 1.874 20 0 GDADRO O=S1(=O)C[C@H](C[NH2+]Cc2ncc(Br)cc2O)Oc2ccccc21 ZINC000895089903 658661207 /nfs/dbraw/zinc/66/12/07/658661207.db2.gz FHPXUDYZYORRKO-NSHDSACASA-N 1 0 399.266 1.874 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000895134194 658669528 /nfs/dbraw/zinc/66/95/28/658669528.db2.gz WJSCXJAHNPTISU-MRXNPFEDSA-N 1 0 397.260 1.991 20 0 GDADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000895135084 658669602 /nfs/dbraw/zinc/66/96/02/658669602.db2.gz QSGNXEUJJVTVSQ-LBPRGKRZSA-N 1 0 380.388 1.616 20 0 GDADRO NC(=O)[C@H]1C[NH+](Cc2cc(OC(F)F)ccc2Br)C[C@@H]1C(N)=O ZINC000895315011 658685296 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COC[C@@H]([NH2+]Cc1cn(C)nc1I)[C@H]1CCCOC1 ZINC000895858847 658734066 /nfs/dbraw/zinc/73/40/66/658734066.db2.gz LWKCVIJKOFRUMZ-CMPLNLGQSA-N 1 0 379.242 1.556 20 0 GDADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2ncc(Br)cc2O)CC1 ZINC000896000948 658744533 /nfs/dbraw/zinc/74/45/33/658744533.db2.gz ZMBHKGXQVJOAHY-UHFFFAOYSA-N 1 0 397.317 1.856 20 0 GDADRO CS(=O)(=O)C1CC([NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000896030195 658745711 /nfs/dbraw/zinc/74/57/11/658745711.db2.gz KFNKHAYWLFPITE-ORHYLEIMSA-N 1 0 387.299 1.868 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000896253567 658760666 /nfs/dbraw/zinc/76/06/66/658760666.db2.gz JEOKWSOGMRBFIW-UHFFFAOYSA-N 1 0 380.576 1.430 20 0 GDADRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1c(I)cnn1C ZINC000896265360 658762397 /nfs/dbraw/zinc/76/23/97/658762397.db2.gz NGINHJZUXGGPAQ-JTQLQIEISA-N 1 0 391.257 1.308 20 0 GDADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896530648 658784776 /nfs/dbraw/zinc/78/47/76/658784776.db2.gz VFYXVPZYUKWFHW-JQWIXIFHSA-N 1 0 378.464 1.849 20 0 GDADRO C[C@@H](NC(=O)c1cc(Br)cc2[nH]cnc21)[C@@H]1C[N@H+](C)CCN1C ZINC000896539999 658787086 /nfs/dbraw/zinc/78/70/86/658787086.db2.gz COFJMIRLMOAUSK-YGRLFVJLSA-N 1 0 380.290 1.690 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]nc2I)C1 ZINC000896746685 658806001 /nfs/dbraw/zinc/80/60/01/658806001.db2.gz VSAWAYZNIBQOEA-JTQLQIEISA-N 1 0 376.242 1.818 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000897052662 658820883 /nfs/dbraw/zinc/82/08/83/658820883.db2.gz MJCAXJYOZOSILK-PBHICJAKSA-N 1 0 375.535 1.634 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)N(C)Cc1cscc1Br ZINC000897313444 658842003 /nfs/dbraw/zinc/84/20/03/658842003.db2.gz DFAPDFIAZZSGFY-UHFFFAOYSA-N 1 0 376.320 1.927 20 0 GDADRO O=C(NCc1cscc1Cl)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000897419717 658851981 /nfs/dbraw/zinc/85/19/81/658851981.db2.gz FTJZZFDWDZAJSO-CQSZACIVSA-N 1 0 385.917 1.777 20 0 GDADRO O=C1NCCN1CC1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000897580668 658866560 /nfs/dbraw/zinc/86/65/60/658866560.db2.gz SDVQTNVBUBROAS-UHFFFAOYSA-N 1 0 393.289 1.729 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000897717178 658883142 /nfs/dbraw/zinc/88/31/42/658883142.db2.gz QCTAEZNICRDNDY-ZDUSSCGKSA-N 1 0 387.311 1.014 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)[nH]nc1I ZINC000897751100 658887156 /nfs/dbraw/zinc/88/71/56/658887156.db2.gz VMBQSVWTQWOOGT-JTQLQIEISA-N 1 0 376.242 1.927 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000897955394 658904901 /nfs/dbraw/zinc/90/49/01/658904901.db2.gz UDOUELFGHXSFDA-UHFFFAOYSA-N 1 0 388.559 1.247 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CSC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000897957478 658905025 /nfs/dbraw/zinc/90/50/25/658905025.db2.gz XJPOLZWXYFFYEE-LZWOXQAQSA-N 1 0 381.929 1.880 20 0 GDADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977325 658906834 /nfs/dbraw/zinc/90/68/34/658906834.db2.gz CVCMIEJBEZZFEI-WQAKAFBOSA-N 1 0 381.274 1.744 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000897997775 658909890 /nfs/dbraw/zinc/90/98/90/658909890.db2.gz JXGXXFYWNBUHLB-UHFFFAOYSA-N 1 0 376.242 1.925 20 0 GDADRO Cn1nnnc1CCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000898038986 658912023 /nfs/dbraw/zinc/91/20/23/658912023.db2.gz UNBOZJOWBUDPQD-UHFFFAOYSA-N 1 0 377.250 1.276 20 0 GDADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCc1nnnn1C ZINC000898040170 658912412 /nfs/dbraw/zinc/91/24/12/658912412.db2.gz PZZLOSFWQRMSCM-NSHDSACASA-N 1 0 381.278 1.912 20 0 GDADRO Cn1cc([C@@]2(C[NH2+]Cc3ccc(Cl)c(S(N)(=O)=O)c3)CCCO2)cn1 ZINC000898054230 658912984 /nfs/dbraw/zinc/91/29/84/658912984.db2.gz SQOMRBVGZJZYFJ-INIZCTEOSA-N 1 0 384.889 1.516 20 0 GDADRO CC(C)(COc1ncccc1Br)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898141072 658917381 /nfs/dbraw/zinc/91/73/81/658917381.db2.gz XXKFFEFUTGREFY-ZDUSSCGKSA-N 1 0 398.301 1.838 20 0 GDADRO CS(=O)(=O)c1cccc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000898368771 658929076 /nfs/dbraw/zinc/92/90/76/658929076.db2.gz PYGYAUJUCQADRA-LBPRGKRZSA-N 1 0 382.873 1.608 20 0 GDADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1cccc(Cl)c1N)CCS2(=O)=O ZINC000898480638 658937092 /nfs/dbraw/zinc/93/70/92/658937092.db2.gz AMWDQSANWCSLAV-JZLYGMAVSA-N 1 0 386.901 1.911 20 0 GDADRO COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000898486793 658937487 /nfs/dbraw/zinc/93/74/87/658937487.db2.gz FZUATLXIOJGEAN-DGSCNEQVSA-N 1 0 375.531 1.926 20 0 GDADRO Cn1cc(I)c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)n1 ZINC000898826082 658960467 /nfs/dbraw/zinc/96/04/67/658960467.db2.gz MNKHULRJYDJQDB-QWRGUYRKSA-N 1 0 388.253 1.627 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2nc3ncc(Br)cn3n2)C12CCC2 ZINC000898842703 658961495 /nfs/dbraw/zinc/96/14/95/658961495.db2.gz XDGBKBSIMNCVCX-MNOVXSKESA-N 1 0 379.262 1.489 20 0 GDADRO C[N@@H+]1C[C@@H]2CN([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@]2(C)C1 ZINC000899255320 658999226 /nfs/dbraw/zinc/99/92/26/658999226.db2.gz RZCAGBNCOIGURI-DWQUBVKVSA-N 1 0 392.297 1.965 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC[N@H+](C)CCO)ccc1Cl ZINC000899726543 659055227 /nfs/dbraw/zinc/05/52/27/659055227.db2.gz PMBLLKZRTRNCFZ-UHFFFAOYSA-N 1 0 391.921 1.024 20 0 GDADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCC[N@H+](C)CCO)cc1 ZINC000899734440 659056502 /nfs/dbraw/zinc/05/65/02/659056502.db2.gz GFYZBULHPVGIJG-UHFFFAOYSA-N 1 0 381.274 1.597 20 0 GDADRO C[C@@H](CNC(=O)CSc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000900203484 659091741 /nfs/dbraw/zinc/09/17/41/659091741.db2.gz CFJDAUKVUOPRQA-KGLIPLIRSA-N 1 0 385.555 1.663 20 0 GDADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000900256690 659095987 /nfs/dbraw/zinc/09/59/87/659095987.db2.gz BRMGVNOKGOSKJA-KRWDZBQOSA-N 1 0 387.311 1.884 20 0 GDADRO Cc1c(I)ccc(N2C(=O)N[C@@H](C[NH+](C)C)C2=O)c1C ZINC000900251476 659096034 /nfs/dbraw/zinc/09/60/34/659096034.db2.gz HAILPKXBXRIDSG-NSHDSACASA-N 1 0 387.221 1.894 20 0 GDADRO [NH3+][C@@H](c1cn(Cc2n[nH]c3c2COCC3)nn1)c1ccc(Br)cc1 ZINC000900650835 659130958 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GDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H](O)c1cccc(Br)c1 ZINC000901140644 659195848 /nfs/dbraw/zinc/19/58/48/659195848.db2.gz UUSZCXARAGIFBU-HZPDHXFCSA-N 1 0 385.302 1.836 20 0 GDADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)CN3CSCCSC3)nc2)C1 ZINC000901160531 659198557 /nfs/dbraw/zinc/19/85/57/659198557.db2.gz XQOBAAXJGLSWKI-OAHLLOKOSA-N 1 0 381.571 1.857 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000901273048 659206940 /nfs/dbraw/zinc/20/69/40/659206940.db2.gz NMQOSOZDKVQXAF-UONOGXRCSA-N 1 0 398.349 1.764 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NC(=O)NC(C)(C)C ZINC000901730358 659231751 /nfs/dbraw/zinc/23/17/51/659231751.db2.gz VVRZCSDQKYXFQV-VHSXEESVSA-N 1 0 386.294 1.563 20 0 GDADRO CC[NH+]1CCC(NC(=O)CON=C(N)c2sccc2Br)CC1 ZINC000902612845 659266927 /nfs/dbraw/zinc/26/69/27/659266927.db2.gz KDWFQFBSXULLIX-UHFFFAOYSA-N 1 0 389.319 1.958 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1)C(F)(F)F ZINC000902800679 659279929 /nfs/dbraw/zinc/27/99/29/659279929.db2.gz RNWVWRYZQCGGDM-VQJWOFKYSA-N 1 0 382.448 1.951 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)CCN1Cc1ccccc1 ZINC000903229674 659307797 /nfs/dbraw/zinc/30/77/97/659307797.db2.gz MMXFNDYSCHUDDT-NVXWUHKLSA-N 1 0 387.571 1.687 20 0 GDADRO CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000903235139 659309348 /nfs/dbraw/zinc/30/93/48/659309348.db2.gz RUHZDUFIULZLPC-LBDPXKHJSA-N 1 0 375.535 1.741 20 0 GDADRO CN1CCOC[C@]1(CO)C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000903280669 659311791 /nfs/dbraw/zinc/31/17/91/659311791.db2.gz VICDPMCRZOQHSN-CGTJXYLNSA-N 1 0 399.329 1.809 20 0 GDADRO CN1CCOC[C@]1(CO)C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000903280668 659311934 /nfs/dbraw/zinc/31/19/34/659311934.db2.gz VICDPMCRZOQHSN-BPQIPLTHSA-N 1 0 399.329 1.809 20 0 GDADRO CO[C@]1(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CCS(=O)(=O)C1 ZINC000903365735 659313948 /nfs/dbraw/zinc/31/39/48/659313948.db2.gz PRHWVGKHWZMWRM-CPUCHLNUSA-N 1 0 376.519 1.425 20 0 GDADRO CC[C@H](C[C@@](C)(O)CC)[NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000903452773 659316033 /nfs/dbraw/zinc/31/60/33/659316033.db2.gz QMDMUCMXBGAWBT-KFHUCXJESA-N 1 0 375.531 1.805 20 0 GDADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cccc(S(N)(=O)=O)c1 ZINC000903477401 659316077 /nfs/dbraw/zinc/31/60/77/659316077.db2.gz AMFBQPNKOOIHHD-JQWIXIFHSA-N 1 0 399.314 1.959 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(I)s2)C1 ZINC000903504094 659320045 /nfs/dbraw/zinc/32/00/45/659320045.db2.gz RAICDJPAWATILT-YUMQZZPRSA-N 1 0 386.280 1.758 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)NC[C@H]1CCC[NH2+]C1 ZINC000903510729 659321292 /nfs/dbraw/zinc/32/12/92/659321292.db2.gz JOVWUQAAOYBVEB-JTQLQIEISA-N 1 0 391.287 1.597 20 0 GDADRO CN1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)[C@H](C[NH3+])C1 ZINC000903513338 659322498 /nfs/dbraw/zinc/32/24/98/659322498.db2.gz IZDRGAORZUSLSM-LLVKDONJSA-N 1 0 396.738 1.507 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1F ZINC000903512902 659322529 /nfs/dbraw/zinc/32/25/29/659322529.db2.gz CDSSJCQHWXIZNM-SCZZXKLOSA-N 1 0 381.267 1.955 20 0 GDADRO CC[NH2+][C@H](C)CNS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903519062 659326154 /nfs/dbraw/zinc/32/61/54/659326154.db2.gz VRCATINLUOVFQO-SECBINFHSA-N 1 0 379.276 1.595 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(C2CCCC2)n1 ZINC000903520060 659326846 /nfs/dbraw/zinc/32/68/46/659326846.db2.gz PRDBDWZXSMXWHQ-VXGBXAGGSA-N 1 0 380.436 1.978 20 0 GDADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCCCCC1CC[NH2+]CC1 ZINC000903519381 659327065 /nfs/dbraw/zinc/32/70/65/659327065.db2.gz CXMUAPPQLSCIMY-MRXNPFEDSA-N 1 0 375.535 1.408 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CCCO1 ZINC000903522390 659328298 /nfs/dbraw/zinc/32/82/98/659328298.db2.gz OIZJARJZLCVSCS-LLVKDONJSA-N 1 0 397.722 1.982 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)NCCC[NH2+]C1CC1 ZINC000903521778 659328347 /nfs/dbraw/zinc/32/83/47/659328347.db2.gz HKYABMSOVSRFNA-UHFFFAOYSA-N 1 0 391.287 1.739 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903529297 659330861 /nfs/dbraw/zinc/33/08/61/659330861.db2.gz UWFSPKIFLXXPFI-HTRCEHHLSA-N 1 0 383.289 1.183 20 0 GDADRO [NH3+]CC1(c2ccccc2)CCN(S(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000903532885 659331547 /nfs/dbraw/zinc/33/15/47/659331547.db2.gz SPHQBDOLUQFFEY-UHFFFAOYSA-N 1 0 399.314 1.853 20 0 GDADRO [NH3+][C@@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC[C@H]1C(F)(F)F ZINC000903534250 659331975 /nfs/dbraw/zinc/33/19/75/659331975.db2.gz DATFTYQKAMYDEO-CHWSQXEVSA-N 1 0 381.420 1.776 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC2(C)C)s1 ZINC000903554288 659339479 /nfs/dbraw/zinc/33/94/79/659339479.db2.gz PBBMSBNBOMEQTI-ZDUSSCGKSA-N 1 0 387.571 1.729 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)/C=C\c2ccccc2Br)CC1 ZINC000903565662 659343139 /nfs/dbraw/zinc/34/31/39/659343139.db2.gz AQVWUTVRHCNDNL-GHXNOFRVSA-N 1 0 388.331 1.762 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)/C=C\c2ccc(Br)cc2)CC1 ZINC000903566097 659343551 /nfs/dbraw/zinc/34/35/51/659343551.db2.gz HZIWFCJKNVOWFE-GHXNOFRVSA-N 1 0 388.331 1.762 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCCC[NH2+]2)ccc1Cl ZINC000903566953 659343910 /nfs/dbraw/zinc/34/39/10/659343910.db2.gz OPQSJYSSVJGROX-NSHDSACASA-N 1 0 380.919 1.554 20 0 GDADRO Cn1cc(S(=O)(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1Cl ZINC000903573693 659346120 /nfs/dbraw/zinc/34/61/20/659346120.db2.gz LBWTURACVCPXSU-MLGOLLRUSA-N 1 0 382.873 1.608 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000903574991 659346573 /nfs/dbraw/zinc/34/65/73/659346573.db2.gz BIOPUYCTOYBFON-LBPRGKRZSA-N 1 0 379.404 1.950 20 0 GDADRO COC(=O)c1cc(C)ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903579772 659350469 /nfs/dbraw/zinc/35/04/69/659350469.db2.gz QJAMATDTYSSXKV-VXGBXAGGSA-N 1 0 380.388 1.682 20 0 GDADRO CNC(=O)c1ccc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903580675 659351458 /nfs/dbraw/zinc/35/14/58/659351458.db2.gz XLJGGHCFXKAGLE-CHWSQXEVSA-N 1 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ZINC000903730379 659378107 /nfs/dbraw/zinc/37/81/07/659378107.db2.gz JBIAQYZABNLUBT-WDEREUQCSA-N 1 0 378.420 1.402 20 0 GDADRO O=S(=O)(CCN1CCN([C@H]2CC[NH2+]C2)CC1)c1nc2ccccc2s1 ZINC000903749690 659378698 /nfs/dbraw/zinc/37/86/98/659378698.db2.gz OMNXGPMKBAVJJK-AWEZNQCLSA-N 1 0 380.539 1.050 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903791190 659380453 /nfs/dbraw/zinc/38/04/53/659380453.db2.gz CKTOPAAIVZUXRQ-QGZVFWFLSA-N 1 0 398.276 1.670 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903791189 659380461 /nfs/dbraw/zinc/38/04/61/659380461.db2.gz CKTOPAAIVZUXRQ-KRWDZBQOSA-N 1 0 398.276 1.670 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C[C@@H]1[NH3+] ZINC000903800432 659381495 /nfs/dbraw/zinc/38/14/95/659381495.db2.gz IUSUXKNZUIFDME-KBPBESRZSA-N 1 0 395.301 1.703 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903802100 659381879 /nfs/dbraw/zinc/38/18/79/659381879.db2.gz SIOKJOCLAPLBHZ-IUODEOHRSA-N 1 0 395.301 1.705 20 0 GDADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903967283 659389833 /nfs/dbraw/zinc/38/98/33/659389833.db2.gz BPSYTIXVJLTLGO-KRWDZBQOSA-N 1 0 382.917 1.700 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1ccccc1I ZINC000903968746 659390697 /nfs/dbraw/zinc/39/06/97/659390697.db2.gz NSKRZMICABHWLR-GFCCVEGCSA-N 1 0 394.278 1.158 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000903968936 659390957 /nfs/dbraw/zinc/39/09/57/659390957.db2.gz QTPGYDFILFBATD-GFCCVEGCSA-N 1 0 384.395 1.633 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3cncc(Br)c3)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904085401 659394565 /nfs/dbraw/zinc/39/45/65/659394565.db2.gz DVBJVSLVPQXOKP-ZMLRMANQSA-N 1 0 399.270 1.069 20 0 GDADRO C[C@@H]1COCC[C@H]1c1noc(-c2cc(Br)cn(CC[NH3+])c2=O)n1 ZINC000904713708 659406692 /nfs/dbraw/zinc/40/66/92/659406692.db2.gz WCGXXGZIQSOCCH-MWLCHTKSSA-N 1 0 383.246 1.760 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCc2cc(Cl)cc(Br)c2C1 ZINC000904990594 659415776 /nfs/dbraw/zinc/41/57/76/659415776.db2.gz PWUJRLFBLCYTME-VIFPVBQESA-N 1 0 388.693 1.793 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000905030316 659418252 /nfs/dbraw/zinc/41/82/52/659418252.db2.gz GACNPXAUAMJOCA-LBPRGKRZSA-N 1 0 390.374 1.975 20 0 GDADRO O=C(NCC[NH2+]C[C@H](O)CC1(O)CCCC1)c1ccc(Br)cc1 ZINC000905059316 659419734 /nfs/dbraw/zinc/41/97/34/659419734.db2.gz NCQOYXGTNBGYSP-OAHLLOKOSA-N 1 0 385.302 1.825 20 0 GDADRO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905061500 659419777 /nfs/dbraw/zinc/41/97/77/659419777.db2.gz RCCQMQFJQJEPKD-JKSUJKDBSA-N 1 0 377.595 1.554 20 0 GDADRO COc1cc(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)cc(Br)c1OC ZINC000905083579 659421212 /nfs/dbraw/zinc/42/12/12/659421212.db2.gz WTUGXHLEKCEVFV-WBMJQRKESA-N 1 0 390.274 1.458 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC[S@@](=O)C(C)(C)C)CCC1 ZINC000905109937 659424912 /nfs/dbraw/zinc/42/49/12/659424912.db2.gz OYAQTYLPYRSTKX-ZAMGYDSWSA-N 1 0 382.592 1.125 20 0 GDADRO CO[C@H](C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C(F)(F)F ZINC000905119503 659425783 /nfs/dbraw/zinc/42/57/83/659425783.db2.gz ZTMKSXKUQVUMQP-WDEREUQCSA-N 1 0 376.441 1.155 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CCSCC(F)(F)F)CCC1 ZINC000905193911 659431308 /nfs/dbraw/zinc/43/13/08/659431308.db2.gz GTDRXLMGTQOFPL-NSHDSACASA-N 1 0 392.509 1.873 20 0 GDADRO CCn1c(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)nc2cc(Br)ccc21 ZINC000905230917 659434988 /nfs/dbraw/zinc/43/49/88/659434988.db2.gz ORGPHSHQGPFOSZ-SUMWQHHRSA-N 1 0 398.301 1.811 20 0 GDADRO O[C@@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C[C@@]1(O)CCOC1 ZINC000905238527 659435661 /nfs/dbraw/zinc/43/56/61/659435661.db2.gz QRHOEWMKUHQNNB-SJORKVTESA-N 1 0 396.285 1.627 20 0 GDADRO Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000905236950 659435697 /nfs/dbraw/zinc/43/56/97/659435697.db2.gz GZXVUWOHOGRHIF-LLVKDONJSA-N 1 0 376.347 1.681 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)C1(O)CCCC1)c1ccc(F)cc1Cl ZINC000905252503 659437380 /nfs/dbraw/zinc/43/73/80/659437380.db2.gz DASVWGUIZONBLP-AWEZNQCLSA-N 1 0 380.869 1.013 20 0 GDADRO OC[C@H](C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)Cc1ccc(Br)cc1 ZINC000905365269 659447885 /nfs/dbraw/zinc/44/78/85/659447885.db2.gz IOEJNNMWOXDAGU-BHYGNILZSA-N 1 0 388.302 1.092 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@H](O)C2(O)CCC2)cc1Br ZINC000905371276 659449154 /nfs/dbraw/zinc/44/91/54/659449154.db2.gz IOLVLWSBSLGTMG-CJNGLKHVSA-N 1 0 388.302 1.474 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000905477412 659456581 /nfs/dbraw/zinc/45/65/81/659456581.db2.gz GHZGEPUGQOPRLS-CQSZACIVSA-N 1 0 380.432 1.622 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@@H](O)COCc2cccs2)CCC1 ZINC000905521027 659461757 /nfs/dbraw/zinc/46/17/57/659461757.db2.gz OQACYBVQGGCJJQ-CQSZACIVSA-N 1 0 390.571 1.856 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000905543496 659463404 /nfs/dbraw/zinc/46/34/04/659463404.db2.gz OWQHPDQRVFZTCF-LSDHHAIUSA-N 1 0 388.555 1.326 20 0 GDADRO CC(C)(C[NH2+]C[C@H](O)COc1cccc(Br)c1)CS(C)(=O)=O ZINC000905578743 659466721 /nfs/dbraw/zinc/46/67/21/659466721.db2.gz KIJNWKZXZZQASR-ZDUSSCGKSA-N 1 0 394.331 1.849 20 0 GDADRO O[C@@H](C[NH2+]CCO[C@@H]1CCOC1)COc1cc(F)cc(Br)c1 ZINC000905610767 659468602 /nfs/dbraw/zinc/46/86/02/659468602.db2.gz WDKSCOCLXNMUEO-UONOGXRCSA-N 1 0 378.238 1.723 20 0 GDADRO Cn1nnc2c1C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)CC2 ZINC000905632020 659470646 /nfs/dbraw/zinc/47/06/46/659470646.db2.gz FMGHWXYSJHQJKQ-CHWSQXEVSA-N 1 0 399.264 1.604 20 0 GDADRO O=c1cc(N2CC[C@H]([NH2+]C[C@H](O)c3ccc(Br)cc3)C2)nc[nH]1 ZINC000905695404 659476610 /nfs/dbraw/zinc/47/66/10/659476610.db2.gz KJHBTGAQQOQWOP-KBPBESRZSA-N 1 0 379.258 1.847 20 0 GDADRO O=c1ccn(CCC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)c(=O)[nH]1 ZINC000905700923 659476906 /nfs/dbraw/zinc/47/69/06/659476906.db2.gz AUFQPKGECBWCCM-CYBMUJFWSA-N 1 0 386.221 1.564 20 0 GDADRO O=C(CC[NH2+]CCCn1ccc(=O)[nH]c1=O)Nc1ccc(Br)cc1 ZINC000905701480 659477532 /nfs/dbraw/zinc/47/75/32/659477532.db2.gz DWIWLZUJHKAZOL-UHFFFAOYSA-N 1 0 395.257 1.720 20 0 GDADRO [NH3+]C1CCN(Cc2cn(C[C@H](O)c3ccccc3Br)nn2)CC1 ZINC000905816653 659484890 /nfs/dbraw/zinc/48/48/90/659484890.db2.gz QIJLKWBBQLACKD-INIZCTEOSA-N 1 0 380.290 1.697 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906108778 659520675 /nfs/dbraw/zinc/52/06/75/659520675.db2.gz COCMRTQBTGZQQH-UHFFFAOYSA-N 1 0 394.317 1.854 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cn(C)nc2I)C1 ZINC000906172017 659523916 /nfs/dbraw/zinc/52/39/16/659523916.db2.gz FFSXAYQFCRUCNW-SNVBAGLBSA-N 1 0 376.242 1.486 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)nc2I)C1 ZINC000906447072 659541355 /nfs/dbraw/zinc/54/13/55/659541355.db2.gz BNJAGEWOCCSLGO-SNVBAGLBSA-N 1 0 376.242 1.486 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cn(C)nc1I ZINC000906568931 659555677 /nfs/dbraw/zinc/55/56/77/659555677.db2.gz HWYASJHAWOBBSY-UHFFFAOYSA-N 1 0 376.242 1.439 20 0 GDADRO CC(C)[C@H]1CCc2nc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)sc2C1 ZINC000906678454 659569767 /nfs/dbraw/zinc/56/97/67/659569767.db2.gz NKNQVYXPIAHMAX-GZMMTYOYSA-N 1 0 378.420 1.848 20 0 GDADRO O=C(Nc1ccnn1Cc1ccc(Cl)s1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000906679387 659569789 /nfs/dbraw/zinc/56/97/89/659569789.db2.gz KEFZZUAOZLOTOM-PWSUYJOCSA-N 1 0 379.873 1.405 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906686495 659571530 /nfs/dbraw/zinc/57/15/30/659571530.db2.gz UVKBMIFWAPNZDE-ZYHUDNBSSA-N 1 0 381.889 1.699 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)ccc1Br ZINC000906706921 659574013 /nfs/dbraw/zinc/57/40/13/659574013.db2.gz SEYUVIJTWWZJMU-GFCCVEGCSA-N 1 0 398.257 1.288 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1Br ZINC000906726894 659576973 /nfs/dbraw/zinc/57/69/73/659576973.db2.gz KFDWYYACIACOCZ-MKPLZMMCSA-N 1 0 396.241 1.183 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000906741264 659578917 /nfs/dbraw/zinc/57/89/17/659578917.db2.gz DOJQHNCFGFTCDH-MGCOHNPYSA-N 1 0 377.242 1.789 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000906754354 659582580 /nfs/dbraw/zinc/58/25/80/659582580.db2.gz GAVRFASNHAINLN-JTQLQIEISA-N 1 0 380.392 1.023 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000906769578 659584551 /nfs/dbraw/zinc/58/45/51/659584551.db2.gz BBFUSPQBXPZMAI-SNVBAGLBSA-N 1 0 379.766 1.744 20 0 GDADRO C[C@H](NC(=O)C(F)(F)c1ncccc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000906777940 659585568 /nfs/dbraw/zinc/58/55/68/659585568.db2.gz KWZCRUCDDZNVQB-JQWIXIFHSA-N 1 0 391.260 1.686 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000906779344 659585626 /nfs/dbraw/zinc/58/56/26/659585626.db2.gz IBVLLJUBHFKYDV-SECBINFHSA-N 1 0 390.665 1.488 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000906780214 659586037 /nfs/dbraw/zinc/58/60/37/659586037.db2.gz KKARNADRZPEFAU-GFCCVEGCSA-N 1 0 379.766 1.744 20 0 GDADRO C[C@H](NC(=O)c1nscc1I)[C@@H]1C[N@H+](C)CCN1C ZINC000906781712 659587101 /nfs/dbraw/zinc/58/71/01/659587101.db2.gz VQKASPDDSUNBLX-WPRPVWTQSA-N 1 0 394.282 1.112 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)oc1Cl ZINC000906927485 659619793 /nfs/dbraw/zinc/61/97/93/659619793.db2.gz BFZKRQIXZJEXPS-NSHDSACASA-N 1 0 376.862 1.969 20 0 GDADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cn(C)nc2I)C1 ZINC000906967092 659631350 /nfs/dbraw/zinc/63/13/50/659631350.db2.gz OMIPWFLVSIRJGS-LLVKDONJSA-N 1 0 390.269 1.732 20 0 GDADRO Cn1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(I)n1 ZINC000907064478 659656989 /nfs/dbraw/zinc/65/69/89/659656989.db2.gz JPXKZHVHHRRKNA-CMPLNLGQSA-N 1 0 388.253 1.581 20 0 GDADRO C[NH+](C)CCOc1cc(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)ccn1 ZINC000907168161 659687756 /nfs/dbraw/zinc/68/77/56/659687756.db2.gz ZSZVTYHZLRXZDG-LLVKDONJSA-N 1 0 384.691 1.759 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)C3CN(C)CC[N@H+](C)C3)nc12 ZINC000907374083 659739969 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GDADRO CO[C@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(Br)s1 ZINC000908203399 659881951 /nfs/dbraw/zinc/88/19/51/659881951.db2.gz QZPFYFSLOHUETE-WDMOLILDSA-N 1 0 389.315 1.866 20 0 GDADRO CO[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)c1ccc(Br)s1 ZINC000908207347 659882752 /nfs/dbraw/zinc/88/27/52/659882752.db2.gz YHEQEHORNNXSIO-ZWNOBZJWSA-N 1 0 377.304 1.771 20 0 GDADRO C[NH+](C)CCn1nccc1NC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000908442035 659908751 /nfs/dbraw/zinc/90/87/51/659908751.db2.gz HVOJFXVBLPMTHP-UHFFFAOYSA-N 1 0 385.255 1.515 20 0 GDADRO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000908542383 659924242 /nfs/dbraw/zinc/92/42/42/659924242.db2.gz YXLCDIYIYAQDKW-GFCCVEGCSA-N 1 0 389.283 1.081 20 0 GDADRO COc1ccc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)nc1Br ZINC000908603061 659926641 /nfs/dbraw/zinc/92/66/41/659926641.db2.gz SGOVMMGNCWHKNQ-UHFFFAOYSA-N 1 0 386.290 1.818 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)[C@@H](C)C1 ZINC000910270282 659966981 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C[NH2+]CCN(C(=O)C(=O)NCCc1ccc(Br)s1)C(C)C ZINC000911068765 659993241 /nfs/dbraw/zinc/99/32/41/659993241.db2.gz UIAQZIONDWPCBE-UHFFFAOYSA-N 1 0 376.320 1.626 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000911076393 659993429 /nfs/dbraw/zinc/99/34/29/659993429.db2.gz DVIDMEOBUVEVFO-LBPRGKRZSA-N 1 0 388.693 1.833 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCc1ccc(Br)cc1)C2 ZINC000911099271 659994211 /nfs/dbraw/zinc/99/42/11/659994211.db2.gz KPRJHRFCAMYUNC-CFVMTHIKSA-N 1 0 380.286 1.446 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911115249 659995090 /nfs/dbraw/zinc/99/50/90/659995090.db2.gz UCZRRKDYECMFNR-PWSUYJOCSA-N 1 0 384.274 1.046 20 0 GDADRO CCc1nc(CCNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cs1 ZINC000911135343 659996251 /nfs/dbraw/zinc/99/62/51/659996251.db2.gz NVYVSICFOPREDY-GHMZBOCLSA-N 1 0 378.420 1.102 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC000911173514 659997338 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GDADRO O=C(NCc1ccc(Br)cc1F)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000911580351 660011420 /nfs/dbraw/zinc/01/14/20/660011420.db2.gz KPIRHYBWJJTRMY-MRXNPFEDSA-N 1 0 384.249 1.416 20 0 GDADRO Nc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1Br ZINC000911704262 660017366 /nfs/dbraw/zinc/01/73/66/660017366.db2.gz CQPXUDIVFMERNO-ZDUSSCGKSA-N 1 0 395.301 1.315 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2F)C1 ZINC000911729952 660017743 /nfs/dbraw/zinc/01/77/43/660017743.db2.gz KUBPBDBPEAHYFG-SECBINFHSA-N 1 0 390.228 1.654 20 0 GDADRO COCCN(CCOC)C1CN(C(=O)c2nc(F)ccc2Br)C1 ZINC000911860742 660019638 /nfs/dbraw/zinc/01/96/38/660019638.db2.gz ZSXXPZJCORKGIT-UHFFFAOYSA-N 1 0 390.253 1.402 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CCO1 ZINC000911880534 660020029 /nfs/dbraw/zinc/02/00/29/660020029.db2.gz MOLNAAHXQDANBL-ZWNOBZJWSA-N 1 0 399.314 1.944 20 0 GDADRO C[NH+]1CCC(N(CCO)C(=O)c2cccn3ncc(Br)c23)CC1 ZINC000911933646 660021671 /nfs/dbraw/zinc/02/16/71/660021671.db2.gz OFPNDZVMTVBSOW-UHFFFAOYSA-N 1 0 381.274 1.626 20 0 GDADRO O=C(N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C12CCC(CC1)[NH2+]2 ZINC000911979062 660023276 /nfs/dbraw/zinc/02/32/76/660023276.db2.gz VLKFMZSCROWFSI-UHFFFAOYSA-N 1 0 383.901 1.458 20 0 GDADRO [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000911980944 660023400 /nfs/dbraw/zinc/02/34/00/660023400.db2.gz CVYGOXLYRDHSOC-JQWIXIFHSA-N 1 0 392.308 1.421 20 0 GDADRO C[C@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C[C@H](O)C[NH2+]1 ZINC000912014340 660024285 /nfs/dbraw/zinc/02/42/85/660024285.db2.gz HZKPSGHXPQTUDY-BLLLJJGKSA-N 1 0 387.889 1.176 20 0 GDADRO CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccn(CCC[NH3+])n1 ZINC000912029245 660024635 /nfs/dbraw/zinc/02/46/35/660024635.db2.gz KKLFXWKRQHZDSM-UHFFFAOYSA-N 1 0 394.273 1.705 20 0 GDADRO CN(CCOc1ccc(Cl)cc1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC000912029330 660024665 /nfs/dbraw/zinc/02/46/65/660024665.db2.gz MQNYEPAMLAEAMQ-UHOFOFEASA-N 1 0 386.901 1.200 20 0 GDADRO 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375.535 1.599 20 0 GDADRO CC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000914202140 660126462 /nfs/dbraw/zinc/12/64/62/660126462.db2.gz DGNZPWWIZVIEOH-LLVKDONJSA-N 1 0 391.287 1.691 20 0 GDADRO C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)C[C@@H]1[NH+](C)C ZINC000914241223 660131217 /nfs/dbraw/zinc/13/12/17/660131217.db2.gz GSMMCYJEBNMJJF-ZFWWWQNUSA-N 1 0 375.535 1.167 20 0 GDADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000914306248 660138082 /nfs/dbraw/zinc/13/80/82/660138082.db2.gz FTCDRRLBXODLQW-HOTGVXAUSA-N 1 0 376.881 1.918 20 0 GDADRO CCS(=O)(=O)c1ccc(CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC000914336316 660140729 /nfs/dbraw/zinc/14/07/29/660140729.db2.gz UHGMKESGHFSHGW-KRWDZBQOSA-N 1 0 386.539 1.386 20 0 GDADRO COC(=O)C1CCC(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000914989469 660157564 /nfs/dbraw/zinc/15/75/64/660157564.db2.gz MQYLEJJEGZKUNF-QQFBHYJXSA-N 1 0 376.519 1.139 20 0 GDADRO COc1cc(F)c(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1F 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O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@@H]2C[NH2+]C[C@]2(CO)C1 ZINC001164406294 718854582 /nfs/dbraw/zinc/85/45/82/718854582.db2.gz NILDMCWUHJISQM-IINYFYTJSA-N 1 0 376.791 1.390 20 0 GDADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164409628 718855209 /nfs/dbraw/zinc/85/52/09/718855209.db2.gz WAYZYFVOMVFYSH-AMIZOPFISA-N 1 0 375.832 1.389 20 0 GDADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)c1 ZINC001164407849 718863455 /nfs/dbraw/zinc/86/34/55/718863455.db2.gz KJOWAGPKLYSAOZ-GXFFZTMASA-N 1 0 375.803 1.881 20 0 GDADRO O=C(c1cccnc1N1CC[C@H]2[NH2+]CC[C@H]21)N1CCN(Cc2ccccc2)CC1 ZINC001164410960 718874902 /nfs/dbraw/zinc/87/49/02/718874902.db2.gz KHZVURHOOCFSSY-NHCUHLMSSA-N 1 0 391.519 1.980 20 0 GDADRO [NH3+][C@]12C[C@H]1CCN([C@]1(F)CN(C3CCCC3)c3nc(Cl)ncc3NC1=O)C2 ZINC001164421703 718896088 /nfs/dbraw/zinc/89/60/88/718896088.db2.gz RTTLKWFIOMCIKA-CNOZUTPLSA-N 1 0 394.882 1.920 20 0 GDADRO Cc1noc([C@@H]2C[C@@H]3CCN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@@H]3O2)n1 ZINC001164648063 719297736 /nfs/dbraw/zinc/29/77/36/719297736.db2.gz FRNFGWDFVVHPEV-JYJNAYRXSA-N 1 0 385.472 1.276 20 0 GDADRO C[N@@H+]1CCO[C@H]2CN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C[C@H]21 ZINC001164673839 719421805 /nfs/dbraw/zinc/42/18/05/719421805.db2.gz UXTWJPWGINMLER-CVEARBPZSA-N 1 0 390.465 1.192 20 0 GDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3cc(F)c(OC)cc31)CC2 ZINC001164685813 719727758 /nfs/dbraw/zinc/72/77/58/719727758.db2.gz NMCHRGCNIJPJSS-UHFFFAOYSA-N 1 0 387.459 1.958 20 0 GDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C(N)=O)cc3ccccc31)CC2 ZINC001164690277 719745340 /nfs/dbraw/zinc/74/53/40/719745340.db2.gz YCHGMKAUKJIECF-UHFFFAOYSA-N 1 0 381.480 1.515 20 0 GDADRO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1cc(C[NH+](C)C)ccn1)C2 ZINC001164697894 719835690 /nfs/dbraw/zinc/83/56/90/719835690.db2.gz ZJHAYXKUJDJDAS-SFHVURJKSA-N 1 0 393.495 1.987 20 0 GDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1C(N)=O)C2 ZINC001164811283 720089858 /nfs/dbraw/zinc/08/98/58/720089858.db2.gz NSKDIIHRKZIBCM-SCLBCKFNSA-N 1 0 379.892 1.414 20 0 GDADRO COc1cc(C)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164715411 720180176 /nfs/dbraw/zinc/18/01/76/720180176.db2.gz BHKRKLFGYYQJQZ-MRXNPFEDSA-N 1 0 387.488 1.138 20 0 GDADRO COC(=O)c1cccnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823782 720301496 /nfs/dbraw/zinc/30/14/96/720301496.db2.gz PUBGXHPATZQIKQ-MSOLQXFVSA-N 1 0 386.496 1.780 20 0 GDADRO COCc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)n1 ZINC001164818928 720312447 /nfs/dbraw/zinc/31/24/47/720312447.db2.gz BSHMGFNKNVSGNU-MOPGFXCFSA-N 1 0 387.528 1.843 20 0 GDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc3c2C(=O)NC3)CC1 ZINC001164825458 720319112 /nfs/dbraw/zinc/31/91/12/720319112.db2.gz FFVRFGDBBPKLCR-IAGOWNOFSA-N 1 0 383.496 1.237 20 0 GDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nnc3ccccc3n2)CC1 ZINC001164823510 720343315 /nfs/dbraw/zinc/34/33/15/720343315.db2.gz GKVXMRDHFBPFDU-OALUTQOASA-N 1 0 380.496 1.936 20 0 GDADRO 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CN(C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCO1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571264851 945493579 /nfs/dbraw/zinc/49/35/79/945493579.db2.gz YOAPFMWEQNOKNY-YOEHRIQHSA-N 1 0 385.472 1.648 20 0 GDADRO Cc1cc(NC[C@H]2CCCN2C(=O)[C@H]2CCCOCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571265208 945503920 /nfs/dbraw/zinc/50/39/20/945503920.db2.gz CNPOPJXALYPDHT-LSDHHAIUSA-N 1 0 385.472 1.212 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC2(C1)CC[N@H+](CC[C@H]1CCCCO1)C2 ZINC001571266161 945532843 /nfs/dbraw/zinc/53/28/43/945532843.db2.gz NATYBWGOHATFAY-OAHLLOKOSA-N 1 0 385.472 1.302 20 0 GDADRO O=C(N[C@H]1CC12CC[NH+](CC[C@H]1CCCO1)CC2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571266256 945536060 /nfs/dbraw/zinc/53/60/60/945536060.db2.gz OMROPLQQADDMLE-CJNGLKHVSA-N 1 0 385.472 1.348 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC2(C1)CC[NH+](C[C@@H]1CCOC1)CC2 ZINC001571266781 945551577 /nfs/dbraw/zinc/55/15/77/945551577.db2.gz ZDRCPHMQXPDFKL-AWEZNQCLSA-N 1 0 385.472 1.159 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(F)(F)F ZINC001571267103 945562099 /nfs/dbraw/zinc/56/20/99/945562099.db2.gz JEFCWUMICIFCSD-JOYOIKCWSA-N 1 0 386.353 1.895 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821087750 945630853 /nfs/dbraw/zinc/63/08/53/945630853.db2.gz FSYFDDHCFHQSNA-ZDUSSCGKSA-N 1 0 377.518 1.921 20 0 GDADRO Cc1nc(CC[NH2+]C2CC(N(C)C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cs1 ZINC001571271832 945652918 /nfs/dbraw/zinc/65/29/18/945652918.db2.gz KSPRUDYSZFROGY-UHFFFAOYSA-N 1 0 386.485 1.395 20 0 GDADRO Cc1nc(N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)ccc1-c1nn[nH]n1 ZINC001571271943 945654316 /nfs/dbraw/zinc/65/43/16/945654316.db2.gz MYTRNXCUHFDOTR-SRCQZFHVSA-N 1 0 386.504 1.415 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)[C@H](C)C2)n1 ZINC001571272543 945666244 /nfs/dbraw/zinc/66/62/44/945666244.db2.gz VWYKEVUMDJVSTB-VXGBXAGGSA-N 1 0 386.485 1.743 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1cncs1 ZINC001571279008 945766887 /nfs/dbraw/zinc/76/68/87/945766887.db2.gz FXKVSGLTBDHANS-GXFFZTMASA-N 1 0 387.444 1.855 20 0 GDADRO O=C(CC1OCCCO1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571279694 945787039 /nfs/dbraw/zinc/78/70/39/945787039.db2.gz XZSYQTFPROXLKP-KOMQPUFPSA-N 1 0 386.456 1.004 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001571281925 945819590 /nfs/dbraw/zinc/81/95/90/945819590.db2.gz PTOCSXKHANVIBQ-NWDGAFQWSA-N 1 0 387.469 1.486 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001571281929 945821529 /nfs/dbraw/zinc/82/15/29/945821529.db2.gz PTOCSXKHANVIBQ-VXGBXAGGSA-N 1 0 387.469 1.486 20 0 GDADRO Cc1nn[nH]c1C(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571282371 945842967 /nfs/dbraw/zinc/84/29/67/945842967.db2.gz WNJNFWOHLRDDQY-GHMZBOCLSA-N 1 0 387.473 1.186 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571282491 945845156 /nfs/dbraw/zinc/84/51/56/945845156.db2.gz ZYQDSHVNJBSOMU-GFCCVEGCSA-N 1 0 387.469 1.867 20 0 GDADRO CC[C@@H](C(=O)N1C[C@H]2CN(c3cccc(F)c3-c3nn[nH]n3)C[C@H]2C1)[NH+](C)C ZINC001571282787 945861380 /nfs/dbraw/zinc/86/13/80/945861380.db2.gz QXXAUOMDKZWLNF-GUTXKFCHSA-N 1 0 387.463 1.241 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571283050 945873322 /nfs/dbraw/zinc/87/33/22/945873322.db2.gz YNMHVJDBZLVAKB-KFWWJZLASA-N 1 0 387.463 1.084 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571283100 945877472 /nfs/dbraw/zinc/87/74/72/945877472.db2.gz ZFPLFZVBAHBORG-KRWDZBQOSA-N 1 0 387.463 1.179 20 0 GDADRO O=C(NCC1CC([NH2+]C[C@H](O)C2CCCCC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571283439 945887571 /nfs/dbraw/zinc/88/75/71/945887571.db2.gz FYYYPRKHXKEWHT-AJUCZRQESA-N 1 0 387.488 1.234 20 0 GDADRO CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCC([NH2+]CC2CCOCC2)CC1 ZINC001571284608 945902379 /nfs/dbraw/zinc/90/23/79/945902379.db2.gz ROKFPHLZKCYOPN-UHFFFAOYSA-N 1 0 387.488 1.594 20 0 GDADRO CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573461983 945927664 /nfs/dbraw/zinc/92/76/64/945927664.db2.gz VCEVHJPETDGEME-QWHCGFSZSA-N 1 0 387.488 1.154 20 0 GDADRO CCOC1CC(C(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571287230 945970015 /nfs/dbraw/zinc/97/00/15/945970015.db2.gz BFVRRWMTKQJGJF-SIWZUTFBSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H]1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CO1 ZINC001571287222 945970655 /nfs/dbraw/zinc/97/06/55/945970655.db2.gz AZPJLQYQMIBACU-MPTQWLOMSA-N 1 0 388.447 1.415 20 0 GDADRO CO[C@H](C)C(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(F)c(-c3nn[nH]n3)c1)C2 ZINC001571287474 945973826 /nfs/dbraw/zinc/97/38/26/945973826.db2.gz FDRPIMCLVBBLLJ-CYBMUJFWSA-N 1 0 388.447 1.465 20 0 GDADRO COC1CC(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571287848 945980221 /nfs/dbraw/zinc/98/02/21/945980221.db2.gz JKYQCCQLMXVLOJ-JBAZFKOSSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001571288337 945986710 /nfs/dbraw/zinc/98/67/10/945986710.db2.gz OJSSKIORNIXNFX-LIRRHRJNSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@@H]1CCCOC1 ZINC001571288502 945987906 /nfs/dbraw/zinc/98/79/06/945987906.db2.gz PSTYVUZQGIPVDU-DSSZZKGTSA-N 1 0 388.447 1.417 20 0 GDADRO CC[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)O1 ZINC001571288528 945988254 /nfs/dbraw/zinc/98/82/54/945988254.db2.gz PWELGOBGCJGXFL-WSMBLCCSSA-N 1 0 388.447 1.700 20 0 GDADRO COC1CC(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571288380 945989024 /nfs/dbraw/zinc/98/90/24/945989024.db2.gz PATFZXZYTHWQJU-PCKAHOCUSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571290097 946029113 /nfs/dbraw/zinc/02/91/13/946029113.db2.gz VFVAARSIZIMFPC-GHMZBOCLSA-N 1 0 388.457 1.342 20 0 GDADRO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000822431657 946089680 /nfs/dbraw/zinc/08/96/80/946089680.db2.gz DSGDQFCFPBTMEE-CRAIPNDOSA-N 1 0 382.472 1.521 20 0 GDADRO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2Cc2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1C ZINC001571294717 946142645 /nfs/dbraw/zinc/14/26/45/946142645.db2.gz LGKFVCRIRXTHFE-UMVBOHGHSA-N 1 0 389.529 1.301 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC001571295387 946162154 /nfs/dbraw/zinc/16/21/54/946162154.db2.gz ZKCPSCBGFKCLEH-GFCCVEGCSA-N 1 0 389.822 1.992 20 0 GDADRO CC(=O)N[C@H](C)C(=O)NCC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573482954 946205258 /nfs/dbraw/zinc/20/52/58/946205258.db2.gz CJKVYNHQZWJZDX-CXAGYDPISA-N 1 0 387.488 1.012 20 0 GDADRO O=C(c1cccnn1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CC[C@@H]2C1 ZINC001571298216 946208166 /nfs/dbraw/zinc/20/81/66/946208166.db2.gz JYNNVCOGKAYXJH-SJORKVTESA-N 1 0 390.451 1.251 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1csnn1 ZINC001571298738 946227833 /nfs/dbraw/zinc/22/78/33/946227833.db2.gz QHQUCWXPOAHEHD-NXEZZACHSA-N 1 0 390.498 1.563 20 0 GDADRO C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001571298820 946229268 /nfs/dbraw/zinc/22/92/68/946229268.db2.gz DUTKUITWAPHWGO-SMDDNHRTSA-N 1 0 390.879 1.270 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCC[C@H]1CNc1ncc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001571299239 946243347 /nfs/dbraw/zinc/24/33/47/946243347.db2.gz UYXSHFBTSLNFQX-ZFWWWQNUSA-N 1 0 390.467 1.390 20 0 GDADRO Cc1nsc(N2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)c1-c1nn[nH]n1 ZINC001571299726 946259326 /nfs/dbraw/zinc/25/93/26/946259326.db2.gz OXMJZEDNHMGKCR-WCQYABFASA-N 1 0 390.517 1.011 20 0 GDADRO CN(C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571301952 946288201 /nfs/dbraw/zinc/28/82/01/946288201.db2.gz IWXIZIPGSAAMFF-AVGNSLFASA-N 1 0 391.426 1.838 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(-c2nn[nH]n2)c1Br ZINC001571302239 946297557 /nfs/dbraw/zinc/29/75/57/946297557.db2.gz SDFFVIIZJRUXTM-MNOVXSKESA-N 1 0 391.273 1.986 20 0 GDADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000823078154 946304285 /nfs/dbraw/zinc/30/42/85/946304285.db2.gz GPRAWICJIYZNJO-OAQYLSRUSA-N 1 0 392.463 1.162 20 0 GDADRO O=C(c1ccnnc1)N1CCC2(C1)CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001571302838 946315509 /nfs/dbraw/zinc/31/55/09/946315509.db2.gz HEKOAVVIOBQKRZ-UHFFFAOYSA-N 1 0 391.439 1.184 20 0 GDADRO Cn1cccc1C(=O)N1CC2(C1)CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571305502 946364084 /nfs/dbraw/zinc/36/40/84/946364084.db2.gz CPTZBYZGGCBENK-UHFFFAOYSA-N 1 0 391.479 1.943 20 0 GDADRO Cc1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571306283 946394586 /nfs/dbraw/zinc/39/45/86/946394586.db2.gz JIHYXZZLOYTCFW-LJQANCHMSA-N 1 0 391.479 1.893 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571306334 946397380 /nfs/dbraw/zinc/39/73/80/946397380.db2.gz SUGHMGAHKKFHTL-KBXCAEBGSA-N 1 0 391.479 1.804 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)c1 ZINC001571311350 946485057 /nfs/dbraw/zinc/48/50/57/946485057.db2.gz WFFFMNDGRDRYFJ-VQFNDLOPSA-N 1 0 392.467 1.504 20 0 GDADRO COc1cccc(C[C@H]2CN(c3cc(-c4nn[nH]n4)nc(C4CC4)n3)CC[NH2+]2)c1 ZINC001571312782 946500241 /nfs/dbraw/zinc/50/02/41/946500241.db2.gz CXHFYMDJARCTDR-HNNXBMFYSA-N 1 0 392.467 1.564 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571313502 946522787 /nfs/dbraw/zinc/52/27/87/946522787.db2.gz QKLOWLKRRAHJHG-XIKOKIGWSA-N 1 0 392.467 1.718 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001571313686 946531025 /nfs/dbraw/zinc/53/10/25/946531025.db2.gz TVRHBPDYLMLYLC-MRXNPFEDSA-N 1 0 392.467 1.814 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(-c3nn[nH]n3)c2)ncn1 ZINC001571315129 946546849 /nfs/dbraw/zinc/54/68/49/946546849.db2.gz GJUNZWMBFQZDGG-IAGOWNOFSA-N 1 0 392.467 1.796 20 0 GDADRO Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571316128 946565875 /nfs/dbraw/zinc/56/58/75/946565875.db2.gz URKHABLYOMNBRO-IAGOWNOFSA-N 1 0 392.467 1.777 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CC23CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC3)c(C)[nH]1 ZINC001571316112 946566979 /nfs/dbraw/zinc/56/69/79/946566979.db2.gz UJYPAEUSOZQAMU-QGZVFWFLSA-N 1 0 392.467 1.996 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)Cc3cccnc3C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316168 946568103 /nfs/dbraw/zinc/56/81/03/946568103.db2.gz VJJMATJGJHPEHW-SGTLLEGYSA-N 1 0 392.467 1.197 20 0 GDADRO Cc1cc(C)nc(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571316300 946570749 /nfs/dbraw/zinc/57/07/49/946570749.db2.gz YRSQWGRKDBVWAN-OAHLLOKOSA-N 1 0 392.467 1.981 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)cnn1 ZINC001571316294 946572181 /nfs/dbraw/zinc/57/21/81/946572181.db2.gz YOGDDOJOUXXTTD-GOSISDBHSA-N 1 0 392.467 1.750 20 0 GDADRO Cn1ccc(C(=O)N[C@H]2CC23CC[NH+](Cc2ccc(-c4nn[nH]n4)cc2)CC3)n1 ZINC001571316611 946581496 /nfs/dbraw/zinc/58/14/96/946581496.db2.gz HVDLEKPZLQFRRT-KRWDZBQOSA-N 1 0 392.467 1.385 20 0 GDADRO Cc1ccncc1CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571316644 946584064 /nfs/dbraw/zinc/58/40/64/946584064.db2.gz JEVCFRAJKAYGMS-KRWDZBQOSA-N 1 0 392.467 1.279 20 0 GDADRO Cn1ccc(C(=O)N2CCC[C@]3(CCN(c4cc[nH+]cc4-c4nn[nH]n4)C3)C2)c1 ZINC001571316988 946595009 /nfs/dbraw/zinc/59/50/09/946595009.db2.gz RHUCEZRKLDLALL-HXUWFJFHSA-N 1 0 392.467 1.733 20 0 GDADRO Cc1nccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571317146 946602523 /nfs/dbraw/zinc/60/25/23/946602523.db2.gz WQGBSWNFFJONAG-GDBMZVCRSA-N 1 0 392.467 1.653 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)CC1OCCCO1 ZINC001571317436 946609145 /nfs/dbraw/zinc/60/91/45/946609145.db2.gz HNXFUXMZZLNZCR-RYUDHWBXSA-N 1 0 392.485 1.160 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824412691 946692223 /nfs/dbraw/zinc/69/22/23/946692223.db2.gz DTFKEDWTAIALSH-CQSZACIVSA-N 1 0 386.481 1.666 20 0 GDADRO CC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1F)CC2 ZINC001573530579 946698367 /nfs/dbraw/zinc/69/83/67/946698367.db2.gz WCQNQFFAZQVDFH-MRXNPFEDSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCCOc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562361 946802319 /nfs/dbraw/zinc/80/23/19/946802319.db2.gz GGDHXGCJCFXLRZ-ZDUSSCGKSA-N 1 0 384.415 1.852 20 0 GDADRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824593275 946844248 /nfs/dbraw/zinc/84/42/48/946844248.db2.gz QCFKVFBIVRVCSA-GFCCVEGCSA-N 1 0 392.510 1.900 20 0 GDADRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824594180 946848171 /nfs/dbraw/zinc/84/81/71/946848171.db2.gz XOWVKPHPLGFQGQ-ZDUSSCGKSA-N 1 0 391.435 1.736 20 0 GDADRO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824807635 946939796 /nfs/dbraw/zinc/93/97/96/946939796.db2.gz KHJGMMDCIZIFKX-UHFFFAOYSA-N 1 0 384.484 1.968 20 0 GDADRO C[C@H]1CN(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824985208 947026346 /nfs/dbraw/zinc/02/63/46/947026346.db2.gz SZHNZTBERYPUHS-AWEZNQCLSA-N 1 0 382.472 1.078 20 0 GDADRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000825328413 947154538 /nfs/dbraw/zinc/15/45/38/947154538.db2.gz RXHLVAOIPRMNBN-ZDUSSCGKSA-N 1 0 389.479 1.647 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 ZINC000825411953 947180450 /nfs/dbraw/zinc/18/04/50/947180450.db2.gz ITWPQAKJLGODRA-UHFFFAOYSA-N 1 0 397.439 1.486 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573591988 947322634 /nfs/dbraw/zinc/32/26/34/947322634.db2.gz HUEXLVDPKBKUTE-WMLDXEAASA-N 1 0 388.516 1.800 20 0 GDADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825870435 947351697 /nfs/dbraw/zinc/35/16/97/947351697.db2.gz MHZSCUURXGMBDG-UHFFFAOYSA-N 1 0 386.481 1.548 20 0 GDADRO C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825908641 947364568 /nfs/dbraw/zinc/36/45/68/947364568.db2.gz KHWNHPIHGAEDFF-CGTJXYLNSA-N 1 0 384.484 1.845 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC001573593367 947368808 /nfs/dbraw/zinc/36/88/08/947368808.db2.gz SBJVVGCWTBSONK-KBXCAEBGSA-N 1 0 386.500 1.554 20 0 GDADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000825946349 947381787 /nfs/dbraw/zinc/38/17/87/947381787.db2.gz UICBAMFILGOOGD-LJQANCHMSA-N 1 0 392.463 1.978 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573594689 947402950 /nfs/dbraw/zinc/40/29/50/947402950.db2.gz CIIPJTFUTGLTCA-BLLLJJGKSA-N 1 0 390.463 1.351 20 0 GDADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826090278 947424417 /nfs/dbraw/zinc/42/44/17/947424417.db2.gz FMEOFNATYMQAFK-ZDUSSCGKSA-N 1 0 386.481 1.767 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(F)F ZINC001573597944 947438890 /nfs/dbraw/zinc/43/88/90/947438890.db2.gz PNAAPXMDNXEPSE-ZJUUUORDSA-N 1 0 388.444 1.128 20 0 GDADRO C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCO1 ZINC001573599062 947449309 /nfs/dbraw/zinc/44/93/09/947449309.db2.gz VFSDTIBMIVAWKW-CRAIPNDOSA-N 1 0 386.500 1.962 20 0 GDADRO CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)=C1CCC1 ZINC001573599180 947449583 /nfs/dbraw/zinc/44/95/83/947449583.db2.gz VFYDNJWABJMHGQ-OAHLLOKOSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(F)F ZINC001573602918 947474029 /nfs/dbraw/zinc/47/40/29/947474029.db2.gz BNRWJWVMPFCJGY-JTQLQIEISA-N 1 0 388.444 1.130 20 0 GDADRO C[C@@H](C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC001573603395 947484633 /nfs/dbraw/zinc/48/46/33/947484633.db2.gz GBDGSVKEYVQSDY-LLVKDONJSA-N 1 0 387.394 1.636 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCCO1 ZINC001573603348 947485230 /nfs/dbraw/zinc/48/52/30/947485230.db2.gz KPQNSWBIFFVZSH-GUYCJALGSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573605069 947524116 /nfs/dbraw/zinc/52/41/16/947524116.db2.gz UQCJJPLXCWTMHI-ZDUSSCGKSA-N 1 0 390.463 1.353 20 0 GDADRO C[C@@H](C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573614146 947579049 /nfs/dbraw/zinc/57/90/49/947579049.db2.gz CJDTUUSVVSLDKR-BFUOFWGJSA-N 1 0 381.440 1.731 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573614390 947582650 /nfs/dbraw/zinc/58/26/50/947582650.db2.gz DVNYBJYDJPLLCF-QWRGUYRKSA-N 1 0 383.378 1.745 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C(F)(F)F ZINC001573623662 947689862 /nfs/dbraw/zinc/68/98/62/947689862.db2.gz HMTKWZHEJRVCIH-GXSJLCMTSA-N 1 0 386.353 1.895 20 0 GDADRO CC(=O)CCCC(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573366855 947746849 /nfs/dbraw/zinc/74/68/49/947746849.db2.gz UKAQJDWBDMGZET-UHFFFAOYSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573368007 947766610 /nfs/dbraw/zinc/76/66/10/947766610.db2.gz KSANWWRNGPDCAC-KBXCAEBGSA-N 1 0 384.484 1.810 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573368307 947766942 /nfs/dbraw/zinc/76/69/42/947766942.db2.gz MMCSRLKHAAAUJJ-YVEFUNNKSA-N 1 0 388.447 1.702 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001573629274 947777070 /nfs/dbraw/zinc/77/70/70/947777070.db2.gz NEIUYNMJQFCING-JLTOFOAXSA-N 1 0 384.484 1.356 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C ZINC001573369861 947777774 /nfs/dbraw/zinc/77/77/74/947777774.db2.gz YMHFRBWJSUBDGX-YPMHNXCESA-N 1 0 376.486 1.767 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573372843 947783536 /nfs/dbraw/zinc/78/35/36/947783536.db2.gz DRSFYUUKPHUMLN-HNNXBMFYSA-N 1 0 388.447 1.846 20 0 GDADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cccn1 ZINC001573637663 947820351 /nfs/dbraw/zinc/82/03/51/947820351.db2.gz MPOLHMQNVNKXEA-HNNXBMFYSA-N 1 0 380.456 1.359 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001573375928 947827303 /nfs/dbraw/zinc/82/73/03/947827303.db2.gz UUCQUQHKDKUBLG-RDTXWAMCSA-N 1 0 384.484 1.953 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)(F)F ZINC001573639670 947846775 /nfs/dbraw/zinc/84/67/75/947846775.db2.gz AYKREOCGCQAQHY-JOYOIKCWSA-N 1 0 386.353 1.895 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573377123 947848355 /nfs/dbraw/zinc/84/83/55/947848355.db2.gz IQMXGWDFDBZPPO-STQMWFEESA-N 1 0 376.436 1.748 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573640436 947853119 /nfs/dbraw/zinc/85/31/19/947853119.db2.gz HKHUTBFWCSADFX-MLGOLLRUSA-N 1 0 388.447 1.369 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573378262 947854782 /nfs/dbraw/zinc/85/47/82/947854782.db2.gz XGNUYACUVBRXES-MRXNPFEDSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573383172 947890962 /nfs/dbraw/zinc/89/09/62/947890962.db2.gz OPANIPGQPSYPIS-HNNXBMFYSA-N 1 0 388.447 1.703 20 0 GDADRO CC(=O)CCCC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573383463 947893314 /nfs/dbraw/zinc/89/33/14/947893314.db2.gz RUWDMVIRYADVHG-KRWDZBQOSA-N 1 0 384.484 1.954 20 0 GDADRO Cc1ccnc(N2CC[N@H+](C[C@@H](O)c3ccccc3)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826311246 947899015 /nfs/dbraw/zinc/89/90/15/947899015.db2.gz YHRQRCRJHXUUEC-NVXWUHKLSA-N 1 0 379.468 1.814 20 0 GDADRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1)n1cccc1 ZINC001573647639 947900319 /nfs/dbraw/zinc/90/03/19/947900319.db2.gz RAUXKEOZNVPFAS-LZQZEXGQSA-N 1 0 391.479 1.820 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573384418 947901500 /nfs/dbraw/zinc/90/15/00/947901500.db2.gz MPBKFPTYEGSIJF-SHTZXODSSA-N 1 0 385.472 1.530 20 0 GDADRO Cc1ccnc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c1-c1nn[nH]n1 ZINC000826313352 947909473 /nfs/dbraw/zinc/90/94/73/947909473.db2.gz CQUMJVVHYHEBBQ-UHFFFAOYSA-N 1 0 394.487 1.374 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651137 947917197 /nfs/dbraw/zinc/91/71/97/947917197.db2.gz IQDKGCXNYJDCQG-QFSBIZTOSA-N 1 0 391.426 1.838 20 0 GDADRO Cc1onc(CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826343462 947990660 /nfs/dbraw/zinc/99/06/60/947990660.db2.gz BMWYJJZZEMGENX-OAHLLOKOSA-N 1 0 381.440 1.439 20 0 GDADRO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573657089 947995919 /nfs/dbraw/zinc/99/59/19/947995919.db2.gz KJEOHLGBXYAAPA-LIRRHRJNSA-N 1 0 380.456 1.405 20 0 GDADRO Cc1onc(CC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1-c1nn[nH]n1 ZINC000826346318 948038276 /nfs/dbraw/zinc/03/82/76/948038276.db2.gz JJXONQUTUHORMS-GFCCVEGCSA-N 1 0 381.440 1.269 20 0 GDADRO Cc1onc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1-c1nn[nH]n1 ZINC000826346806 948046218 /nfs/dbraw/zinc/04/62/18/948046218.db2.gz WFLMTTLTKRZINY-BBRMVZONSA-N 1 0 395.467 1.732 20 0 GDADRO Cc1onc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826347196 948051848 /nfs/dbraw/zinc/05/18/48/948051848.db2.gz IHLUPZQFEIWUCR-INIZCTEOSA-N 1 0 395.467 1.734 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573665267 948070034 /nfs/dbraw/zinc/07/00/34/948070034.db2.gz JZRYKPBKXIRMOH-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO Cc1onc(CC(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c1-c1nn[nH]n1 ZINC000826349054 948088133 /nfs/dbraw/zinc/08/81/33/948088133.db2.gz RIBFQFDIJSERQW-UHFFFAOYSA-N 1 0 397.439 1.301 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001573681641 948209541 /nfs/dbraw/zinc/20/95/41/948209541.db2.gz YHQDSKYMWXAUSK-GJZGRUSLSA-N 1 0 386.504 1.467 20 0 GDADRO CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573434476 948215113 /nfs/dbraw/zinc/21/51/13/948215113.db2.gz SEXPYNCBEYAMJU-OALUTQOASA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1)n1cccc1 ZINC001573691174 948236269 /nfs/dbraw/zinc/23/62/69/948236269.db2.gz DLUGTBMRZVEWGG-ZDUSSCGKSA-N 1 0 383.431 1.807 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C ZINC001573693193 948278175 /nfs/dbraw/zinc/27/81/75/948278175.db2.gz RTFREZSJNCKIBQ-FZMZJTMJSA-N 1 0 378.452 1.255 20 0 GDADRO O=C(N[C@H]1CCCOCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826431342 948283085 /nfs/dbraw/zinc/28/30/85/948283085.db2.gz YVIMSUREWQDUMZ-SFHVURJKSA-N 1 0 399.499 1.653 20 0 GDADRO O=C1[C@H]([NH2+]Cc2cnc3ccccn23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476139 948378074 /nfs/dbraw/zinc/37/80/74/948378074.db2.gz BMHAKYRGGSFYHH-QGZVFWFLSA-N 1 0 388.435 1.800 20 0 GDADRO O=C1[C@H]([NH+]2CCC(c3ncc[nH]3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476325 948379383 /nfs/dbraw/zinc/37/93/83/948379383.db2.gz FMLZGBFAVWILIF-QGZVFWFLSA-N 1 0 392.467 1.965 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476632 948384204 /nfs/dbraw/zinc/38/42/04/948384204.db2.gz LODHCLNMDLDCKK-NVXWUHKLSA-N 1 0 392.467 1.965 20 0 GDADRO O[C@H](C[NH+]1CCN(c2nc3ccccn3c2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000826502335 948419370 /nfs/dbraw/zinc/41/93/70/948419370.db2.gz BBKPOCWXEASXDR-MRXNPFEDSA-N 1 0 390.451 1.370 20 0 GDADRO OC[C@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)Cc1ccco1 ZINC000826507126 948426622 /nfs/dbraw/zinc/42/66/22/948426622.db2.gz JBHJEIWAEDPYBP-KRWDZBQOSA-N 1 0 396.495 1.865 20 0 GDADRO C[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573716929 948502946 /nfs/dbraw/zinc/50/29/46/948502946.db2.gz KDRFKXSGIXBWAV-UONOGXRCSA-N 1 0 382.472 1.388 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573728934 948563825 /nfs/dbraw/zinc/56/38/25/948563825.db2.gz RIMBKZYUMWPBOG-UNEWFSDZSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573740024 948628002 /nfs/dbraw/zinc/62/80/02/948628002.db2.gz JMUDFFLJEKIUFV-LIRZEXBASA-N 1 0 392.467 1.546 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573747419 948690744 /nfs/dbraw/zinc/69/07/44/948690744.db2.gz UKMJQRCJSCSGPL-DCAQKATOSA-N 1 0 383.378 1.721 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573748517 948696789 /nfs/dbraw/zinc/69/67/89/948696789.db2.gz VAAWDXIRASMJCJ-ZOBUZTSGSA-N 1 0 379.468 1.914 20 0 GDADRO CC(C)[C@@H](F)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574079456 948770102 /nfs/dbraw/zinc/77/01/02/948770102.db2.gz JKTWWMRPZCAEOK-XJKCOSOUSA-N 1 0 378.427 1.984 20 0 GDADRO CC(C)[C@@H](F)C(=O)NCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001574080107 948781109 /nfs/dbraw/zinc/78/11/09/948781109.db2.gz HALNCQZMIVMNSL-MRXNPFEDSA-N 1 0 390.467 1.248 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)CC1 ZINC001575226631 948823323 /nfs/dbraw/zinc/82/33/23/948823323.db2.gz OMXKSVRVDZQSON-PJXYFTJBSA-N 1 0 375.383 1.248 20 0 GDADRO C[C@@H](CNC(=O)CCCn1cccn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574917742 948824042 /nfs/dbraw/zinc/82/40/42/948824042.db2.gz AKXZEMYGLVYIKO-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO CC(C)[C@H](F)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574082006 948847656 /nfs/dbraw/zinc/84/76/56/948847656.db2.gz ZBUHXHZIRNUNJD-PJODQICGSA-N 1 0 378.427 1.984 20 0 GDADRO CC(C)c1cnc(C[NH2+]C2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)o1 ZINC001574424310 948847982 /nfs/dbraw/zinc/84/79/82/948847982.db2.gz JTNQAACPDZQFAX-UHFFFAOYSA-N 1 0 384.444 1.701 20 0 GDADRO C[C@H](CCNc1nc(Cl)c(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574684057 948854283 /nfs/dbraw/zinc/85/42/83/948854283.db2.gz APTZRHBIPSADLT-RKDXNWHRSA-N 1 0 384.897 1.235 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001574918852 948863002 /nfs/dbraw/zinc/86/30/02/948863002.db2.gz RTYAZDFPONGOOS-CQSZACIVSA-N 1 0 389.479 1.823 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C(F)F ZINC001573763754 948873382 /nfs/dbraw/zinc/87/33/82/948873382.db2.gz GVEQAMALTLSBCH-GFCCVEGCSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573765194 948902934 /nfs/dbraw/zinc/90/29/34/948902934.db2.gz WEPHJDDNNREJFQ-KRWDZBQOSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@H](CNC(=O)CCc1cncnc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574920620 948904787 /nfs/dbraw/zinc/90/47/87/948904787.db2.gz NBZJZRHSLYAUKU-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575241209 948975985 /nfs/dbraw/zinc/97/59/85/948975985.db2.gz CQQJPERHGNBEDK-JQWIXIFHSA-N 1 0 385.394 1.630 20 0 GDADRO C[C@@H](F)CC[NH+]1CCC2(CC1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CCO2 ZINC001575242034 948981678 /nfs/dbraw/zinc/98/16/78/948981678.db2.gz GCSOEKUKUHKWTP-CYBMUJFWSA-N 1 0 391.451 1.250 20 0 GDADRO C[C@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001575242189 948984643 /nfs/dbraw/zinc/98/46/43/948984643.db2.gz HVYNALUZKFTYPN-UGSOOPFHSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1ncc(-c2nn[nH]n2)cc1F ZINC001574926294 948993998 /nfs/dbraw/zinc/99/39/98/948993998.db2.gz MTQUZSCJQHOJSL-GFCCVEGCSA-N 1 0 392.483 1.320 20 0 GDADRO CC(C)[C@H]1C[C@H]1C(=O)NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574091928 949037919 /nfs/dbraw/zinc/03/79/19/949037919.db2.gz PXBDCXXHQSHSFZ-ZIAGYGMSSA-N 1 0 385.472 1.001 20 0 GDADRO C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575503330 949045651 /nfs/dbraw/zinc/04/56/51/949045651.db2.gz KUNWRYSUUGQNQG-IHQJAULKSA-N 1 0 381.415 1.755 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCOCC1 ZINC001573775659 949050620 /nfs/dbraw/zinc/05/06/20/949050620.db2.gz ZPYOIKKQQRYMMS-UHFFFAOYSA-N 1 0 385.472 1.197 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001573779006 949052375 /nfs/dbraw/zinc/05/23/75/949052375.db2.gz CCVQUHGSCQMRNQ-AWEZNQCLSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574928244 949052464 /nfs/dbraw/zinc/05/24/64/949052464.db2.gz NKZMEONDGBLYBX-ZDUSSCGKSA-N 1 0 387.488 1.013 20 0 GDADRO C[C@H](F)CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001575247967 949055632 /nfs/dbraw/zinc/05/56/32/949055632.db2.gz MHCJEOJUBXMAPY-ZDUSSCGKSA-N 1 0 391.451 1.250 20 0 GDADRO CC(C)[C@H]1C[C@H](CC(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001574092890 949082471 /nfs/dbraw/zinc/08/24/71/949082471.db2.gz QBDPPALXFVRQDS-RHSMWYFYSA-N 1 0 387.488 1.395 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)C(F)F ZINC001573780232 949085110 /nfs/dbraw/zinc/08/51/10/949085110.db2.gz TWBQLYRTVQRVFT-WLLOZRIZSA-N 1 0 377.399 1.351 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575504952 949096950 /nfs/dbraw/zinc/09/69/50/949096950.db2.gz ZSHMHZCPAUNVCF-STQMWFEESA-N 1 0 382.428 1.065 20 0 GDADRO CC(C)(C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573781063 949100522 /nfs/dbraw/zinc/10/05/22/949100522.db2.gz AUNXCURNPPAXAI-UHFFFAOYSA-N 1 0 391.479 1.788 20 0 GDADRO C[C@H](CNC(=O)COCc1cccnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574930179 949105241 /nfs/dbraw/zinc/10/52/41/949105241.db2.gz JTFLAFKYMKXUBZ-CQSZACIVSA-N 1 0 381.440 1.073 20 0 GDADRO CC(C)(C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573781760 949112124 /nfs/dbraw/zinc/11/21/24/949112124.db2.gz MZPRXYQHOKVRFD-UHFFFAOYSA-N 1 0 391.479 1.788 20 0 GDADRO C[C@@H](CNC(=O)COCC1CCCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574931172 949114780 /nfs/dbraw/zinc/11/47/80/949114780.db2.gz OCZYRZVQODMGMY-ZDUSSCGKSA-N 1 0 390.463 1.807 20 0 GDADRO CC(C)(C(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1c[nH]cn1 ZINC001573782052 949116682 /nfs/dbraw/zinc/11/66/82/949116682.db2.gz PHPBGAUYFPHVME-UHFFFAOYSA-N 1 0 386.435 1.303 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574931389 949118384 /nfs/dbraw/zinc/11/83/84/949118384.db2.gz OWBZXPOTLWZENY-LBPRGKRZSA-N 1 0 376.436 1.559 20 0 GDADRO CC(C)(C(=O)NCCN(c1ccncc1-c1nn[nH]n1)C1CC1)[NH+]1CCCC1 ZINC001573782348 949119996 /nfs/dbraw/zinc/11/99/96/949119996.db2.gz 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DTCOEGWQRDUOBY-GUYCJALGSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(F)c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574751378 950457302 /nfs/dbraw/zinc/45/73/02/950457302.db2.gz MTCLARARHYHAQS-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C(C)(C)C)C1 ZINC001576204541 950463129 /nfs/dbraw/zinc/46/31/29/950463129.db2.gz PYJFRFLNKKZSAI-ZFWWWQNUSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H](CNc2cccc(F)c2-c2nn[nH]n2)C2CC2)C1 ZINC001576204640 950466617 /nfs/dbraw/zinc/46/66/17/950466617.db2.gz QXDKJDGYSNVTDQ-BLLLJJGKSA-N 1 0 387.463 1.654 20 0 GDADRO CC(C)CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC001574166428 950467086 /nfs/dbraw/zinc/46/70/86/950467086.db2.gz RSSYGUBCXHLMDI-KRWDZBQOSA-N 1 0 386.500 1.650 20 0 GDADRO C[C@@H](CC(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccncc1 ZINC001574508132 950474078 /nfs/dbraw/zinc/47/40/78/950474078.db2.gz JECUGYTYYLOJTB-ZDUSSCGKSA-N 1 0 383.431 1.800 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574994976 950498730 /nfs/dbraw/zinc/49/87/30/950498730.db2.gz BMNBJGKWDVVPGD-LBPRGKRZSA-N 1 0 382.472 1.795 20 0 GDADRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOCC1 ZINC001575608664 950517814 /nfs/dbraw/zinc/51/78/14/950517814.db2.gz PZLXCDXWFXQJGP-SHTZXODSSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205428 950519465 /nfs/dbraw/zinc/51/94/65/950519465.db2.gz IWJLFQIQQWNFSY-CJNGLKHVSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@@H](CCNC(=O)C[C@H](C)n1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574509637 950519518 /nfs/dbraw/zinc/51/95/18/950519518.db2.gz UKMNPLYHKMJPBS-GJZGRUSLSA-N 1 0 382.472 1.699 20 0 GDADRO CC(C)c1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n(C)n1 ZINC001574996998 950533217 /nfs/dbraw/zinc/53/32/17/950533217.db2.gz PONVPHQHRQWRRV-LLVKDONJSA-N 1 0 388.501 1.693 20 0 GDADRO C[C@@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575916855 950550459 /nfs/dbraw/zinc/55/04/59/950550459.db2.gz SSNWBNONICXYNZ-OLZOCXBDSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001574511438 950562090 /nfs/dbraw/zinc/56/20/90/950562090.db2.gz LMFJOCCAXJDZMC-QWHCGFSZSA-N 1 0 386.485 1.467 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576206296 950565210 /nfs/dbraw/zinc/56/52/10/950565210.db2.gz WDCXUQWIGBBIFF-CJNGLKHVSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)on1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574999072 950567692 /nfs/dbraw/zinc/56/76/92/950567692.db2.gz FSEQLGPWCXMIBW-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO CC(C)(C)OCC(=O)N1C[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@]2(C)C1 ZINC001573869915 950575736 /nfs/dbraw/zinc/57/57/36/950575736.db2.gz RKSWTJJMXIFDHI-UTKZUKDTSA-N 1 0 398.511 1.962 20 0 GDADRO CC(C)(C)OCC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCCC1 ZINC001573869971 950581630 /nfs/dbraw/zinc/58/16/30/950581630.db2.gz STUPJNSGIGJHGG-UHFFFAOYSA-N 1 0 387.488 1.730 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576206969 950587649 /nfs/dbraw/zinc/58/76/49/950587649.db2.gz ZWZCXRJKOAFSTM-ZIAGYGMSSA-N 1 0 387.463 1.290 20 0 GDADRO C[C@@H](CNc1nc(Cl)c(-c2nn[nH]n2)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576207033 950590487 /nfs/dbraw/zinc/59/04/87/950590487.db2.gz BPMHZCNNRVMIDO-IUCAKERBSA-N 1 0 384.897 1.235 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576206967 950591281 /nfs/dbraw/zinc/59/12/81/950591281.db2.gz ZWZCXRJKOAFSTM-KGLIPLIRSA-N 1 0 387.463 1.290 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574755145 950592082 /nfs/dbraw/zinc/59/20/82/950592082.db2.gz SBEICEKMLXMYNJ-ZDUSSCGKSA-N 1 0 382.472 1.964 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001573870499 950595562 /nfs/dbraw/zinc/59/55/62/950595562.db2.gz XEDJEMKNRVXFHI-HNNXBMFYSA-N 1 0 385.472 1.552 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001574756356 950602803 /nfs/dbraw/zinc/60/28/03/950602803.db2.gz ZFQIDZTZQISGHJ-LLVKDONJSA-N 1 0 389.410 1.766 20 0 GDADRO C[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576208047 950606360 /nfs/dbraw/zinc/60/63/60/950606360.db2.gz LNEWNWPFEYQWML-ZDUSSCGKSA-N 1 0 375.452 1.654 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575000724 950614792 /nfs/dbraw/zinc/61/47/92/950614792.db2.gz RXVQDYBPAKJTQY-LLVKDONJSA-N 1 0 381.444 1.127 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCCO1 ZINC001574515676 950627022 /nfs/dbraw/zinc/62/70/22/950627022.db2.gz DKCJAMQEMCHFMP-PILAGYSTSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccn(C(F)F)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574759147 950629655 /nfs/dbraw/zinc/62/96/55/950629655.db2.gz LBBOXSRWTMYADE-NSHDSACASA-N 1 0 390.398 1.709 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573872910 950634986 /nfs/dbraw/zinc/63/49/86/950634986.db2.gz ATHIBLFMZYCESV-NNUKFRKNSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001574174477 950635860 /nfs/dbraw/zinc/63/58/60/950635860.db2.gz ISIIOFXTMNQHPN-KGLIPLIRSA-N 1 0 378.502 1.416 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1ccnc1 ZINC001574516370 950636695 /nfs/dbraw/zinc/63/66/95/950636695.db2.gz IARKLSIYHSWKKI-JQFCIGGWSA-N 1 0 380.456 1.451 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)no1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575001907 950644614 /nfs/dbraw/zinc/64/46/14/950644614.db2.gz OMOQAOLSOOXCKE-QMMMGPOBSA-N 1 0 379.783 1.555 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574518317 950650966 /nfs/dbraw/zinc/65/09/66/950650966.db2.gz NMVUHENRSGPRNJ-AEGPPILISA-N 1 0 378.440 1.332 20 0 GDADRO C[C@H]1[C@H](Nc2cnc(-c3nn[nH]n3)cn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575922952 950655859 /nfs/dbraw/zinc/65/58/59/950655859.db2.gz BAUMOVXQQNURKM-QWHCGFSZSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@@H](Cn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CC[C@H](C)C1)[NH+](C)C ZINC001576214136 950659707 /nfs/dbraw/zinc/65/97/07/950659707.db2.gz NKEPOPADFWUEHC-KBPBESRZSA-N 1 0 381.488 1.922 20 0 GDADRO C[C@H](CNC(=O)c1cc(F)c[nH]1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575002333 950661155 /nfs/dbraw/zinc/66/11/55/950661155.db2.gz SENOKDKFGNGEER-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)C1CC1 ZINC001574519613 950689806 /nfs/dbraw/zinc/68/98/06/950689806.db2.gz WXUPTFPDYZFLPY-GLCQIGPWSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccc(N(C)C)c1 ZINC001575926383 950711435 /nfs/dbraw/zinc/71/14/35/950711435.db2.gz JQNWEDOMAKRPJN-DYVFJYSZSA-N 1 0 392.467 1.465 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926561 950713147 /nfs/dbraw/zinc/71/31/47/950713147.db2.gz KNPOXSGEHLZNRA-PXAZEXFGSA-N 1 0 391.435 1.429 20 0 GDADRO C[C@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574763767 950729283 /nfs/dbraw/zinc/72/92/83/950729283.db2.gz KIKCEWCURVSTTA-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1=COCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574520856 950755618 /nfs/dbraw/zinc/75/56/18/950755618.db2.gz ANJOWZBOECJNKL-NEPJUHHUSA-N 1 0 390.419 1.267 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576217062 950756511 /nfs/dbraw/zinc/75/65/11/950756511.db2.gz GOANQCAKSNUUMJ-ZYHUDNBSSA-N 1 0 377.399 1.378 20 0 GDADRO C[C@@H](CN(C)C(=O)c1csc(=O)[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574765019 950769384 /nfs/dbraw/zinc/76/93/84/950769384.db2.gz BUFSJCFLXGVJHG-VIFPVBQESA-N 1 0 391.432 1.418 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C1CCOCC1 ZINC001574521471 950780278 /nfs/dbraw/zinc/78/02/78/950780278.db2.gz GHDKVISDHJKAFR-QWHCGFSZSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1ccon1 ZINC001574521408 950781347 /nfs/dbraw/zinc/78/13/47/950781347.db2.gz FWXNKSQDTRDCIL-VXGBXAGGSA-N 1 0 387.419 1.609 20 0 GDADRO CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573884026 950781719 /nfs/dbraw/zinc/78/17/19/950781719.db2.gz CWPCOVBJVCXYDZ-XYPYZODXSA-N 1 0 381.444 1.077 20 0 GDADRO CC1(C)CC(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001575632182 950793199 /nfs/dbraw/zinc/79/31/99/950793199.db2.gz DCSMGFBODPMGBE-SJORKVTESA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCc1cn[nH]c1 ZINC001574522797 950799281 /nfs/dbraw/zinc/79/92/81/950799281.db2.gz LAFOFHVVVCUQSL-UONOGXRCSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=COCCC1 ZINC001574522572 950799396 /nfs/dbraw/zinc/79/93/96/950799396.db2.gz KYBUKOXXQXZITJ-NWDGAFQWSA-N 1 0 376.486 1.995 20 0 GDADRO C[C@@H](C[N@H+](C)C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574765961 950800185 /nfs/dbraw/zinc/80/01/85/950800185.db2.gz GWIDHLGTQCBRRN-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCc1c[nH]cn1 ZINC001574523735 950829248 /nfs/dbraw/zinc/82/92/48/950829248.db2.gz PXBCWEHLOVHJBS-ZIAGYGMSSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576220557 950838954 /nfs/dbraw/zinc/83/89/54/950838954.db2.gz RMYPZZLWKCJTMW-BXUZGUMPSA-N 1 0 376.411 1.849 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CC(C)(C)O ZINC001574523993 950843519 /nfs/dbraw/zinc/84/35/19/950843519.db2.gz SUWMWKDKCXORMM-NWDGAFQWSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1cc[nH]n1 ZINC001574524105 950844529 /nfs/dbraw/zinc/84/45/29/950844529.db2.gz TVQIXLNOWSZDPO-NWDGAFQWSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1cn[nH]c1 ZINC001574524368 950854590 /nfs/dbraw/zinc/85/45/90/950854590.db2.gz VWXSZOFQGSMMNL-VXGBXAGGSA-N 1 0 388.501 1.657 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574767582 950857233 /nfs/dbraw/zinc/85/72/33/950857233.db2.gz RXGWYCYYJANVPW-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cncn1C ZINC001574524480 950862598 /nfs/dbraw/zinc/86/25/98/950862598.db2.gz XABQLUAZMCQNRQ-KBPBESRZSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574524656 950868797 /nfs/dbraw/zinc/86/87/97/950868797.db2.gz YEKODPDHHQAOLZ-BXVRKOLZSA-N 1 0 388.447 1.271 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccc(=O)[nH]n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574527528 950893017 /nfs/dbraw/zinc/89/30/17/950893017.db2.gz CYQXYFTUVIKBAM-NEPJUHHUSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccnnc1 ZINC001574527697 950899510 /nfs/dbraw/zinc/89/95/10/950899510.db2.gz GATVZFKNJLXANN-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cncnc1 ZINC001574527991 950920720 /nfs/dbraw/zinc/92/07/20/950920720.db2.gz JLGQECSQFVPRFK-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccnn1C ZINC001574528899 950942772 /nfs/dbraw/zinc/94/27/72/950942772.db2.gz ONXMCJJTNGIZQV-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575643274 950967103 /nfs/dbraw/zinc/96/71/03/950967103.db2.gz LCSWPMPWHWOSAF-IAGOWNOFSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cccc(Cl)c1F ZINC001575016989 950967783 /nfs/dbraw/zinc/96/77/83/950967783.db2.gz FFAYZDUIXYAPIJ-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001574772341 950968602 /nfs/dbraw/zinc/96/86/02/950968602.db2.gz RRHYQWHXTSQEIC-ZDUSSCGKSA-N 1 0 389.479 1.427 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnsn1 ZINC001574530030 950971569 /nfs/dbraw/zinc/97/15/69/950971569.db2.gz SLGSDCAQNOZDQY-UWVGGRQHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccncn1 ZINC001574530219 950973784 /nfs/dbraw/zinc/97/37/84/950973784.db2.gz UEQIXBKUNSXHAT-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CO1 ZINC001575938102 950973553 /nfs/dbraw/zinc/97/35/53/950973553.db2.gz JFQINOBQDFYPBT-YOEHRIQHSA-N 1 0 386.500 1.866 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC1OCCCO1 ZINC001574773269 950982138 /nfs/dbraw/zinc/98/21/38/950982138.db2.gz WJSOQYOBVKXZEG-LBPRGKRZSA-N 1 0 392.435 1.095 20 0 GDADRO C[C@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CCC[NH+](C)C ZINC001574773707 950990434 /nfs/dbraw/zinc/99/04/34/950990434.db2.gz YPAXBGFXOLLDTB-CYBMUJFWSA-N 1 0 377.468 1.284 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(O)ccc1Cl ZINC001575017450 950996095 /nfs/dbraw/zinc/99/60/95/950996095.db2.gz KKGPRDZZJJBALY-VIFPVBQESA-N 1 0 375.820 1.462 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cccc(=O)[nH]1 ZINC001574530788 950998087 /nfs/dbraw/zinc/99/80/87/950998087.db2.gz XEBPMQPWTFFJAF-QWHCGFSZSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1csnn1 ZINC001574530873 950999535 /nfs/dbraw/zinc/99/95/35/950999535.db2.gz YEKYRTUVZMGDMN-RKDXNWHRSA-N 1 0 378.487 1.466 20 0 GDADRO CC1(C)C[C@H]1C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC001575646724 951005932 /nfs/dbraw/zinc/00/59/32/951005932.db2.gz CVSXPXKEGZNYMG-INIZCTEOSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCc1c(F)cccc1F ZINC001575018250 951019078 /nfs/dbraw/zinc/01/90/78/951019078.db2.gz OXBFCKXDYSRIOK-JTQLQIEISA-N 1 0 375.383 1.424 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)CCO2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575024573 951106237 /nfs/dbraw/zinc/10/62/37/951106237.db2.gz HVIBKVXGAYVOAD-LLVKDONJSA-N 1 0 384.465 1.771 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575042494 951362386 /nfs/dbraw/zinc/36/23/86/951362386.db2.gz KNZKGZKZXMTFNS-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575046283 951441219 /nfs/dbraw/zinc/44/12/19/951441219.db2.gz MIMAKVQALDKIQW-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1cncs1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575053671 951481515 /nfs/dbraw/zinc/48/15/15/951481515.db2.gz UEVNPCCCRJUNBQ-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575062460 951567979 /nfs/dbraw/zinc/56/79/79/951567979.db2.gz WHIAJIFOYXQKDJ-LBPRGKRZSA-N 1 0 380.456 1.377 20 0 GDADRO C[C@@H](CNC(=O)c1occ2c1CCOC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067259 951606347 /nfs/dbraw/zinc/60/63/47/951606347.db2.gz POWQGIVBJAEVPT-NSHDSACASA-N 1 0 383.412 1.182 20 0 GDADRO C[C@H](CNC(=O)c1ncoc1C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575067594 951616696 /nfs/dbraw/zinc/61/66/96/951616696.db2.gz WDXYNAUUSBPSLN-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C(F)F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575067768 951620653 /nfs/dbraw/zinc/62/06/53/951620653.db2.gz YKILSOPIYZTOSY-SECBINFHSA-N 1 0 377.355 1.700 20 0 GDADRO C[C@@H](CNC(=O)C1CCC(O)CC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077093 951660067 /nfs/dbraw/zinc/66/00/67/951660067.db2.gz CAYXNFXPUGUUFU-VEAWUBTESA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](CNC(=O)C[C@](C)(O)C1CC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077132 951662110 /nfs/dbraw/zinc/66/21/10/951662110.db2.gz CYOVSACTWAJTSC-BLVKFPJESA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H](O)c1ccccc1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575077573 951671658 /nfs/dbraw/zinc/67/16/58/951671658.db2.gz GSCBTBMPAIRUGR-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](CNC(=O)[C@]1(C)CCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078031 951677522 /nfs/dbraw/zinc/67/75/22/951677522.db2.gz JISYXYAZGBMJGT-KZULUSFZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)c1ccc(=O)[nH]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078794 951684601 /nfs/dbraw/zinc/68/46/01/951684601.db2.gz ABGHGGNZCVTQRG-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(=O)[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079048 951687943 /nfs/dbraw/zinc/68/79/43/951687943.db2.gz OUWZLNZTCSCNIN-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575079352 951691297 /nfs/dbraw/zinc/69/12/97/951691297.db2.gz DBFWNAHFOHIKLD-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@H]1CCCO1 ZINC001575080102 951704178 /nfs/dbraw/zinc/70/41/78/951704178.db2.gz UUGJXURVTBFWFO-SWLSCSKDSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080253 951708865 /nfs/dbraw/zinc/70/88/65/951708865.db2.gz QOFBXGZSJRHYED-ZDUSSCGKSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081662 951725671 /nfs/dbraw/zinc/72/56/71/951725671.db2.gz RHPKHBFDRJWKCK-ZDUSSCGKSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)Cc1cscn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081891 951728112 /nfs/dbraw/zinc/72/81/12/951728112.db2.gz SVPWQEQBSLCGKT-NSHDSACASA-N 1 0 389.460 1.547 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575082562 951734321 /nfs/dbraw/zinc/73/43/21/951734321.db2.gz XFANUGHPJCWKHF-CHWSQXEVSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575082607 951736702 /nfs/dbraw/zinc/73/67/02/951736702.db2.gz XQHCIOCNDDNRLC-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082931 951737799 /nfs/dbraw/zinc/73/77/99/951737799.db2.gz ZPZQQBQQAPCQOO-UKRRQHHQSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575088658 951740947 /nfs/dbraw/zinc/74/09/47/951740947.db2.gz ADFGALQLUIFKNB-XHDPSFHLSA-N 1 0 382.440 1.958 20 0 GDADRO C[C@H](CNC(=O)CCc1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090648 951761379 /nfs/dbraw/zinc/76/13/79/951761379.db2.gz MZLSBBJCYWBSQS-LBPRGKRZSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@@H](CNC(=O)c1cnsn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091024 951767085 /nfs/dbraw/zinc/76/70/85/951767085.db2.gz OVQOYAJRTPMEHY-SECBINFHSA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCc1cn[nH]c1 ZINC001575091038 951768443 /nfs/dbraw/zinc/76/84/43/951768443.db2.gz OYNJUVKNQSRVQU-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1nccs1 ZINC001575091181 951770478 /nfs/dbraw/zinc/77/04/78/951770478.db2.gz PVYSXJPLKOYSFR-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091517 951778734 /nfs/dbraw/zinc/77/87/34/951778734.db2.gz TWSAUMCVMPYPQI-QWHCGFSZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575092568 951794927 /nfs/dbraw/zinc/79/49/27/951794927.db2.gz FCSFEQIYAHYJBT-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1ccncc1 ZINC001575093021 951796484 /nfs/dbraw/zinc/79/64/84/951796484.db2.gz HCMCQAVXONTLRS-HNNXBMFYSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093772 951800773 /nfs/dbraw/zinc/80/07/73/951800773.db2.gz KHPFODFEBMFCFZ-XFKAJCMBSA-N 1 0 384.484 1.524 20 0 GDADRO C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093845 951802779 /nfs/dbraw/zinc/80/27/79/951802779.db2.gz LDRFNAIJNIAAOJ-ZTQAJYAQSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575095537 951813247 /nfs/dbraw/zinc/81/32/47/951813247.db2.gz VFHGYDWUETXSOR-RDTXWAMCSA-N 1 0 391.479 1.928 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)COc1ccccc1 ZINC001575095787 951814530 /nfs/dbraw/zinc/81/45/30/951814530.db2.gz WRWUJYQKHXOLLW-HNNXBMFYSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]nc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099446 951835495 /nfs/dbraw/zinc/83/54/95/951835495.db2.gz MHKQFKLMFKNWLS-JTQLQIEISA-N 1 0 386.485 1.684 20 0 GDADRO C[C@@H](CNC(=O)C1CCC(O)CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100144 951841348 /nfs/dbraw/zinc/84/13/48/951841348.db2.gz RALDPRIAFUOEFT-PNESKVBLSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100502 951843881 /nfs/dbraw/zinc/84/38/81/951843881.db2.gz TVZCFOCLBWSPAO-GFCCVEGCSA-N 1 0 386.485 1.193 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1Cc2cccnc2C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104450 951886306 /nfs/dbraw/zinc/88/63/06/951886306.db2.gz CSSFWTUGCCDDOG-RDTXWAMCSA-N 1 0 391.479 1.519 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)cc1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575106185 951902171 /nfs/dbraw/zinc/90/21/71/951902171.db2.gz QUMHWSBLCUQVRU-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575107360 951917337 /nfs/dbraw/zinc/91/73/37/951917337.db2.gz DNWYIYSTBDHDLR-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575107306 951917866 /nfs/dbraw/zinc/91/78/66/951917866.db2.gz BYYKPPXQRPTIHG-HNNXBMFYSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575107463 951919014 /nfs/dbraw/zinc/91/90/14/951919014.db2.gz FKVFQWYQXZWJSM-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575107903 951920375 /nfs/dbraw/zinc/92/03/75/951920375.db2.gz IEKHBYITRCCYNG-CQSZACIVSA-N 1 0 387.488 1.062 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109206 951928304 /nfs/dbraw/zinc/92/83/04/951928304.db2.gz PHLZGSJTPWYLKP-LLVKDONJSA-N 1 0 388.863 1.409 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cc(C2CC2)no1 ZINC001575109915 951934954 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XLYZSLODTMDSTQ-ZDUSSCGKSA-N 1 0 382.472 1.869 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)no1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115801 951968694 /nfs/dbraw/zinc/96/86/94/951968694.db2.gz YXLYBGUDBQUMNI-LBPRGKRZSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1noc2c1CCCC2 ZINC001575117378 951978155 /nfs/dbraw/zinc/97/81/55/951978155.db2.gz NAWUABUMBRVUGI-LLVKDONJSA-N 1 0 384.444 1.217 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001575119334 951988959 /nfs/dbraw/zinc/98/89/59/951988959.db2.gz XJKCEJOHHXDLNY-LLVKDONJSA-N 1 0 386.460 1.636 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575143532 952154655 /nfs/dbraw/zinc/15/46/55/952154655.db2.gz BCQVEXPZHDPXIJ-INIZCTEOSA-N 1 0 377.399 1.426 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575144782 952172509 /nfs/dbraw/zinc/17/25/09/952172509.db2.gz LJCSVIFFTHNEFQ-ZDUSSCGKSA-N 1 0 378.440 1.069 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575145835 952189052 /nfs/dbraw/zinc/18/90/52/952189052.db2.gz DHMXDIBAQIPXIR-LBPRGKRZSA-N 1 0 385.403 1.161 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575146069 952191736 /nfs/dbraw/zinc/19/17/36/952191736.db2.gz HGYADOIPIVNUAR-NSHDSACASA-N 1 0 387.394 1.463 20 0 GDADRO C[C@H](CNc1nc(Cl)c(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575165597 952312799 /nfs/dbraw/zinc/31/27/99/952312799.db2.gz PYIOQFGEORFLAF-RKDXNWHRSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575166147 952320721 /nfs/dbraw/zinc/32/07/21/952320721.db2.gz YSNQEFXMWGVTHR-LBPRGKRZSA-N 1 0 392.483 1.638 20 0 GDADRO O=C(C(F)F)N1CCC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC001571120139 952498662 /nfs/dbraw/zinc/49/86/62/952498662.db2.gz JWWQQNSQEHKRKU-GJZGRUSLSA-N 1 0 376.411 1.945 20 0 GDADRO O=C(C1CC(F)(F)C1)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571120868 952510536 /nfs/dbraw/zinc/51/05/36/952510536.db2.gz RYGCDFYUAYQXIX-ZDUSSCGKSA-N 1 0 376.411 1.850 20 0 GDADRO C[C@]1(NC(=O)[C@H]2CCC2(F)F)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571121348 952519479 /nfs/dbraw/zinc/51/94/79/952519479.db2.gz YZGFHJKLFGIHNZ-PBHICJAKSA-N 1 0 376.411 1.993 20 0 GDADRO CC(C)[C@@H](O)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571122293 952525133 /nfs/dbraw/zinc/52/51/33/952525133.db2.gz IHUQXCFTXPWDBW-XJKSGUPXSA-N 1 0 376.436 1.103 20 0 GDADRO C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575206598 952531286 /nfs/dbraw/zinc/53/12/86/952531286.db2.gz KGMNZVNZWNQXSP-KGLIPLIRSA-N 1 0 382.472 1.073 20 0 GDADRO O=C(c1csnn1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571124167 952535036 /nfs/dbraw/zinc/53/50/36/952535036.db2.gz ZWOFAJFKCXLZRI-VIFPVBQESA-N 1 0 376.471 1.174 20 0 GDADRO Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)C3CC(F)(F)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124292 952536413 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IBQNPUCHXHXFMN-UHFFFAOYSA-N 1 0 378.440 1.263 20 0 GDADRO Cc1cnc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571134914 952597101 /nfs/dbraw/zinc/59/71/01/952597101.db2.gz OSFMIJLDIQVSTC-CQSZACIVSA-N 1 0 378.440 1.217 20 0 GDADRO C[C@H]1CN(C(=O)c2ccccn2)CC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571135221 952601581 /nfs/dbraw/zinc/60/15/81/952601581.db2.gz RJQIIMVOKQXSNX-KBPBESRZSA-N 1 0 378.440 1.289 20 0 GDADRO COc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571140230 952624771 /nfs/dbraw/zinc/62/47/71/952624771.db2.gz AUWLXBWOGVVSME-BETUJISGSA-N 1 0 379.424 1.374 20 0 GDADRO CC[C@H](C(=O)N1CC[C@@H](CNc2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571140516 952626890 /nfs/dbraw/zinc/62/68/90/952626890.db2.gz BSSCUODRORPHGR-NWDGAFQWSA-N 1 0 378.506 1.232 20 0 GDADRO COc1ccnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571140741 952628825 /nfs/dbraw/zinc/62/88/25/952628825.db2.gz FHXVCQNWGNGNDN-CQSZACIVSA-N 1 0 379.424 1.275 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]1C[NH2+]CC1CC(F)(F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571141341 952633644 /nfs/dbraw/zinc/63/36/44/952633644.db2.gz XODKQOYFACPDAF-YPMHNXCESA-N 1 0 379.415 1.728 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cnccn1 ZINC001571141526 952633817 /nfs/dbraw/zinc/63/38/17/952633817.db2.gz HYSGEWDWZCUPKK-MRXNPFEDSA-N 1 0 378.440 1.441 20 0 GDADRO O=C(N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccncn1 ZINC001571142341 952641229 /nfs/dbraw/zinc/64/12/29/952641229.db2.gz PRAWUXASDAWSKX-HOTGVXAUSA-N 1 0 378.440 1.345 20 0 GDADRO O=C(COc1cccnc1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571142436 952641682 /nfs/dbraw/zinc/64/16/82/952641682.db2.gz VRAUBSLMXOQPLI-OAHLLOKOSA-N 1 0 379.424 1.031 20 0 GDADRO O=C(c1cn[nH]c1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571142463 952642097 /nfs/dbraw/zinc/64/20/97/952642097.db2.gz QJCKMNNNHMWGKY-CVEARBPZSA-N 1 0 378.440 1.469 20 0 GDADRO O=C(c1ncccc1O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571147770 952663694 /nfs/dbraw/zinc/66/36/94/952663694.db2.gz PTZBHGDXDVPHHG-UHFFFAOYSA-N 1 0 379.424 1.315 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccn(C)c2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571151553 952675521 /nfs/dbraw/zinc/67/55/21/952675521.db2.gz QIXKZJWXRGXAPY-RDTXWAMCSA-N 1 0 379.468 1.846 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001571151669 952676255 /nfs/dbraw/zinc/67/62/55/952676255.db2.gz UCXKBDNFFMQYBV-QGPMSJSTSA-N 1 0 379.468 1.914 20 0 GDADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1C(F)(F)F)C2 ZINC001571153345 952686499 /nfs/dbraw/zinc/68/64/99/952686499.db2.gz OTVGMVKEGPNVGR-LRDDRELGSA-N 1 0 380.374 1.973 20 0 GDADRO Cc1cc(N(C)[C@H]2CCN(C(=O)c3ccnc(C)n3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571156820 952706159 /nfs/dbraw/zinc/70/61/59/952706159.db2.gz KPEHWGRMUUMVIM-ZDUSSCGKSA-N 1 0 379.428 1.019 20 0 GDADRO Cc1ccc(C(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)c(=O)[nH]1 ZINC001571158481 952712828 /nfs/dbraw/zinc/71/28/28/952712828.db2.gz JCBGLSQBHASNOT-UHFFFAOYSA-N 1 0 380.412 1.070 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)c3ncoc3C3CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571159559 952721104 /nfs/dbraw/zinc/72/11/04/952721104.db2.gz YEUPTYQRUQSVHK-LBPRGKRZSA-N 1 0 380.412 1.444 20 0 GDADRO CCc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C ZINC001571165385 952749295 /nfs/dbraw/zinc/74/92/95/952749295.db2.gz CJZVTNSUBJBPDD-WBMJQRKESA-N 1 0 380.456 1.545 20 0 GDADRO CCc1cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n(C)n1 ZINC001571167091 952770361 /nfs/dbraw/zinc/77/03/61/952770361.db2.gz VHCDQHCLTXSFMM-INIZCTEOSA-N 1 0 380.456 1.167 20 0 GDADRO Cc1cn(C)nc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571169486 952775328 /nfs/dbraw/zinc/77/53/28/952775328.db2.gz DUOZYHBPPHUGBO-HNNXBMFYSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)[C@H](C)C2)n1 ZINC001571169613 952775697 /nfs/dbraw/zinc/77/56/97/952775697.db2.gz HZUSXFQUHSKYIK-HIFRSBDPSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C)c[nH]1 ZINC001571169590 952776452 /nfs/dbraw/zinc/77/64/52/952776452.db2.gz HJXHZJZOAXBFBF-SWLSCSKDSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1nc(C)c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)[nH]1 ZINC001571169739 952778670 /nfs/dbraw/zinc/77/86/70/952778670.db2.gz LMUYGOXZGFXZPW-INIZCTEOSA-N 1 0 380.456 1.601 20 0 GDADRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)cnn1C ZINC001571169801 952779367 /nfs/dbraw/zinc/77/93/67/952779367.db2.gz NWXUAFONPWJQHA-INIZCTEOSA-N 1 0 380.456 1.303 20 0 GDADRO CCn1ccnc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571170088 952783230 /nfs/dbraw/zinc/78/32/30/952783230.db2.gz SQSKRVRRTRENRD-CJNGLKHVSA-N 1 0 380.456 1.333 20 0 GDADRO Cc1ncccc1C[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571170147 952783932 /nfs/dbraw/zinc/78/39/32/952783932.db2.gz UFJBFBPYBNNXTL-CQSZACIVSA-N 1 0 380.456 1.492 20 0 GDADRO Cc1nc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c[nH]1 ZINC001571170459 952786056 /nfs/dbraw/zinc/78/60/56/952786056.db2.gz VCLPOLPQCYRUFA-INIZCTEOSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1cc[nH]c1C(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571170483 952786076 /nfs/dbraw/zinc/78/60/76/952786076.db2.gz VIFZZWRNDMFXBC-OAHLLOKOSA-N 1 0 380.456 1.591 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC001571170552 952786728 /nfs/dbraw/zinc/78/67/28/952786728.db2.gz WKNPRIUHISKOIH-INIZCTEOSA-N 1 0 380.456 1.255 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571170856 952789139 /nfs/dbraw/zinc/78/91/39/952789139.db2.gz XUOBEIWMDKPHAR-GJZGRUSLSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1ccn(C)c1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001571170885 952789703 /nfs/dbraw/zinc/78/97/03/952789703.db2.gz YPUYMFRXANWLDR-UONOGXRCSA-N 1 0 380.456 1.436 20 0 GDADRO Cc1ncccc1C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571171932 952799610 /nfs/dbraw/zinc/79/96/10/952799610.db2.gz IUEAQNQVRJCXRH-AWEZNQCLSA-N 1 0 380.456 1.540 20 0 GDADRO Cc1nn(C)cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571172084 952801469 /nfs/dbraw/zinc/80/14/69/952801469.db2.gz LTOWANWHGMXTQG-INIZCTEOSA-N 1 0 380.456 1.303 20 0 GDADRO O=C(Cn1cccn1)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172260 952803512 /nfs/dbraw/zinc/80/35/12/952803512.db2.gz QYAHMYXEXAFRHH-RDJZCZTQSA-N 1 0 380.456 1.138 20 0 GDADRO Cn1cc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C(C)(C)C2)cn1 ZINC001571172505 952807451 /nfs/dbraw/zinc/80/74/51/952807451.db2.gz VLKOVYGEINRVBE-INIZCTEOSA-N 1 0 380.456 1.241 20 0 GDADRO Cc1cc(N[C@@H](C)[C@@H]2CCN(C(=O)Cc3ccco3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571179413 952853452 /nfs/dbraw/zinc/85/34/52/952853452.db2.gz DIFKRXJDNXHDKL-UONOGXRCSA-N 1 0 381.440 1.477 20 0 GDADRO Cc1noc(C)c1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571181794 952866485 /nfs/dbraw/zinc/86/64/85/952866485.db2.gz YKGLDWGDYVXSDL-IBGZPJMESA-N 1 0 381.440 1.866 20 0 GDADRO COc1cccc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571182652 952866941 /nfs/dbraw/zinc/86/69/41/952866941.db2.gz AJAFQYHASDPECU-IUODEOHRSA-N 1 0 381.440 1.769 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CCc2ccoc2)C1 ZINC001571182647 952867449 /nfs/dbraw/zinc/86/74/49/952867449.db2.gz AISHNHJJXOQVOM-DZGCQCFKSA-N 1 0 381.440 1.558 20 0 GDADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571182788 952868401 /nfs/dbraw/zinc/86/84/01/952868401.db2.gz FTGKSEFZMOEGCH-GDBMZVCRSA-N 1 0 381.440 1.699 20 0 GDADRO CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC001571182780 952868654 /nfs/dbraw/zinc/86/86/54/952868654.db2.gz FQHMACWETFLHOH-OAHLLOKOSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)Cc2ccon2)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571182805 952869355 /nfs/dbraw/zinc/86/93/55/952869355.db2.gz GFLOMNFBAQDEML-CZUORRHYSA-N 1 0 381.440 1.567 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ccncc1F ZINC001571182846 952869372 /nfs/dbraw/zinc/86/93/72/952869372.db2.gz HNVSTZSZAZILDT-OTVXOJSOSA-N 1 0 381.415 1.699 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571182907 952870839 /nfs/dbraw/zinc/87/08/39/952870839.db2.gz JHQBQBFOBSZODK-DLBZAZTESA-N 1 0 381.440 1.567 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnco2)CC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571182989 952871655 /nfs/dbraw/zinc/87/16/55/952871655.db2.gz LOPXYRXZNDOZPH-CJNGLKHVSA-N 1 0 381.440 1.743 20 0 GDADRO CC[C@H]1CN(C(=O)c2cocn2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571183005 952872434 /nfs/dbraw/zinc/87/24/34/952872434.db2.gz LXGXNBXORNGDBW-HOCLYGCPSA-N 1 0 381.440 1.885 20 0 GDADRO COc1ccc(CC[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cc1 ZINC001571183067 952873101 /nfs/dbraw/zinc/87/31/01/952873101.db2.gz NKFHJENXTCCVQW-HNNXBMFYSA-N 1 0 381.440 1.250 20 0 GDADRO Cc1ncccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571183187 952873951 /nfs/dbraw/zinc/87/39/51/952873951.db2.gz RWGZYVYFKRFGRF-GASCZTMLSA-N 1 0 381.415 1.760 20 0 GDADRO O=C(Cc1cccc(F)c1)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571183235 952875565 /nfs/dbraw/zinc/87/55/65/952875565.db2.gz UBJLAICJRICEMA-AWEZNQCLSA-N 1 0 381.415 1.326 20 0 GDADRO CC(C)n1ccc(C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001571183814 952883010 /nfs/dbraw/zinc/88/30/10/952883010.db2.gz JXKRNNCEINUSRO-CYBMUJFWSA-N 1 0 381.444 1.178 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)c3cnn(C(C)C)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189071 952924124 /nfs/dbraw/zinc/92/41/24/952924124.db2.gz RKNBUVFQANFLAF-CQSZACIVSA-N 1 0 381.444 1.356 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC001571195700 952977422 /nfs/dbraw/zinc/97/74/22/952977422.db2.gz DQUPWOCYMPHHSI-VXGBXAGGSA-N 1 0 382.403 1.180 20 0 GDADRO CCN(C(=O)c1ocnc1C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571198532 952991060 /nfs/dbraw/zinc/99/10/60/952991060.db2.gz BDXSGNRCJXOFHR-ZDUSSCGKSA-N 1 0 382.428 1.608 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)no1 ZINC001571201018 953013944 /nfs/dbraw/zinc/01/39/44/953013944.db2.gz IDDQIRQRXCBFMC-OCCSQVGLSA-N 1 0 382.428 1.299 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C)co1 ZINC001571201328 953015908 /nfs/dbraw/zinc/01/59/08/953015908.db2.gz KCKLZHMGHYECMN-DGCLKSJQSA-N 1 0 382.428 1.394 20 0 GDADRO CC1(C)C[N@H+](Cc2ccccc2-c2nn[nH]n2)CC[C@@H]1NC(=O)c1cnon1 ZINC001571202119 953023417 /nfs/dbraw/zinc/02/34/17/953023417.db2.gz VMSMDTLLUUIKSH-HNNXBMFYSA-N 1 0 382.428 1.280 20 0 GDADRO COc1ccc(C[NH+]2CCC3(C[C@@H]3NC(=O)C3CC3)CC2)cc1-c1nn[nH]n1 ZINC001571209661 953066138 /nfs/dbraw/zinc/06/61/38/953066138.db2.gz AODZPPJXAJQTRA-KRWDZBQOSA-N 1 0 382.468 1.756 20 0 GDADRO O=C(NC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCCO1)[C@@H]1CC12CC2 ZINC001571209985 953069766 /nfs/dbraw/zinc/06/97/66/953069766.db2.gz KSBZPGBUBRBUIS-IRXDYDNUSA-N 1 0 382.468 1.374 20 0 GDADRO O=C(C[C@H]1CCOC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001571210161 953070825 /nfs/dbraw/zinc/07/08/25/953070825.db2.gz MYDDKLIXPNKSPA-OIISXLGYSA-N 1 0 382.468 1.184 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571210357 953071512 /nfs/dbraw/zinc/07/15/12/953071512.db2.gz PRKIAOTYJSACPI-JGRFCZEVSA-N 1 0 382.468 1.228 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001571210626 953072907 /nfs/dbraw/zinc/07/29/07/953072907.db2.gz UYEPMOUGCVNZSK-FUEZWAHWSA-N 1 0 382.468 1.086 20 0 GDADRO CN(C(=O)[C@H]1C[C@@H]1C(F)F)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571210567 953073327 /nfs/dbraw/zinc/07/33/27/953073327.db2.gz SKZCCPVDYRBYOD-USWWRNFRSA-N 1 0 382.440 1.862 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CC12CCOCC2 ZINC001571211740 953080209 /nfs/dbraw/zinc/08/02/09/953080209.db2.gz DSZHKORCQPHAIN-RDJZCZTQSA-N 1 0 382.468 1.374 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1cccc(=O)[nH]1 ZINC001571217844 953111129 /nfs/dbraw/zinc/11/11/29/953111129.db2.gz QCPOSIJUGQWQIM-HAQNSBGRSA-N 1 0 383.387 1.157 20 0 GDADRO Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)[nH]1 ZINC001571229718 953171223 /nfs/dbraw/zinc/17/12/23/953171223.db2.gz KVDCDFSNTZQDNO-OAHLLOKOSA-N 1 0 383.431 1.955 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@H]3CC34CCOCC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233328 953191646 /nfs/dbraw/zinc/19/16/46/953191646.db2.gz RXUHWIRYLKYWJF-DZGCQCFKSA-N 1 0 383.456 1.082 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571233883 953196873 /nfs/dbraw/zinc/19/68/73/953196873.db2.gz HAAJKPXZFJTUMG-DOMZBBRYSA-N 1 0 383.481 1.645 20 0 GDADRO CN(C(=O)Cc1cncs1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571234026 953198302 /nfs/dbraw/zinc/19/83/02/953198302.db2.gz KYLHNIIYXVYTFE-HNNXBMFYSA-N 1 0 383.481 1.599 20 0 GDADRO O=C(Cc1cccs1)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571234431 953202149 /nfs/dbraw/zinc/20/21/49/953202149.db2.gz XKDKEXLSDNBMTP-CYBMUJFWSA-N 1 0 383.481 1.638 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cc[nH]n1 ZINC001571239574 953240362 /nfs/dbraw/zinc/24/03/62/953240362.db2.gz MSKJWVZWAZNODX-YPMHNXCESA-N 1 0 384.419 1.512 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1ncc[nH]1 ZINC001571241579 953247925 /nfs/dbraw/zinc/24/79/25/953247925.db2.gz DWLSDZWYXGRFPJ-HUUCEWRRSA-N 1 0 384.419 1.560 20 0 GDADRO O=C(c1ncc[nH]1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571241592 953248372 /nfs/dbraw/zinc/24/83/72/953248372.db2.gz FMKSUALUYMNMLZ-LBPRGKRZSA-N 1 0 384.419 1.371 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)[nH]1 ZINC001571241737 953249402 /nfs/dbraw/zinc/24/94/02/953249402.db2.gz KFSNYNZKPMKSQD-CQSZACIVSA-N 1 0 384.419 1.350 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1ccn[nH]1 ZINC001571241885 953250729 /nfs/dbraw/zinc/25/07/29/953250729.db2.gz OKRSPZAFIBMTNN-LBPRGKRZSA-N 1 0 384.419 1.371 20 0 GDADRO O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ncc[nH]1 ZINC001571242234 953254578 /nfs/dbraw/zinc/25/45/78/953254578.db2.gz XIDGYTPSOWNZMY-BXUZGUMPSA-N 1 0 384.419 1.417 20 0 GDADRO CCc1nocc1C[N@H+]1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 ZINC001571242692 953258955 /nfs/dbraw/zinc/25/89/55/953258955.db2.gz LTPDSXHKJHKKPZ-VXGBXAGGSA-N 1 0 384.444 1.243 20 0 GDADRO CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571243000 953262178 /nfs/dbraw/zinc/26/21/78/953262178.db2.gz SRXUYYDUAAYBTJ-HDJSIYSDSA-N 1 0 384.444 1.576 20 0 GDADRO CCc1nnsc1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571244685 953265744 /nfs/dbraw/zinc/26/57/44/953265744.db2.gz DVXSMZDARMBURD-UHFFFAOYSA-N 1 0 384.469 1.142 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2ccns2)C1 ZINC001571246111 953280364 /nfs/dbraw/zinc/28/03/64/953280364.db2.gz TURSOYSIESSLFM-RYUDHWBXSA-N 1 0 384.469 1.493 20 0 GDADRO Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)o1 ZINC001571247530 953283153 /nfs/dbraw/zinc/28/31/53/953283153.db2.gz AIFYYARUZUIDRR-AAEUAGOBSA-N 1 0 384.444 1.522 20 0 GDADRO C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001571247652 953284602 /nfs/dbraw/zinc/28/46/02/953284602.db2.gz BPLLGOSUOHNTJH-RDJZCZTQSA-N 1 0 384.484 1.716 20 0 GDADRO C[C@H]1COCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571247686 953284970 /nfs/dbraw/zinc/28/49/70/953284970.db2.gz CGYLHICSICYPTK-NXNVCVFFSA-N 1 0 384.484 1.524 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571247722 953285429 /nfs/dbraw/zinc/28/54/29/953285429.db2.gz CJNJVEBQJSLROM-ZWKOTPCHSA-N 1 0 384.484 1.715 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571247788 953286082 /nfs/dbraw/zinc/28/60/82/953286082.db2.gz DZNAJJRQBWKUEF-OWDOZIACSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001571247774 953286387 /nfs/dbraw/zinc/28/63/87/953286387.db2.gz DPXLUHXWVGJWMS-XLIONFOSSA-N 1 0 384.484 1.764 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001571247840 953287279 /nfs/dbraw/zinc/28/72/79/953287279.db2.gz GAJUPSIQQSALAR-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO O=C(Cc1cscn1)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571248188 953290725 /nfs/dbraw/zinc/29/07/25/953290725.db2.gz NCPBUGAZVCGYRM-BXUZGUMPSA-N 1 0 384.469 1.080 20 0 GDADRO C[C@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571248284 953291484 /nfs/dbraw/zinc/29/14/84/953291484.db2.gz PMIHRCBLVJERQQ-RHSMWYFYSA-N 1 0 384.484 1.620 20 0 GDADRO O=C(C[C@@H]1CCCOC1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571249639 953305451 /nfs/dbraw/zinc/30/54/51/953305451.db2.gz KAMNTEINIRFRPD-IRXDYDNUSA-N 1 0 384.484 1.622 20 0 GDADRO Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001571250468 953311154 /nfs/dbraw/zinc/31/11/54/953311154.db2.gz RTDABKWJKYHDJS-MFKMUULPSA-N 1 0 384.444 1.583 20 0 GDADRO Cc1nc(C)c(C[NH+]2CCC(N(C)C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)o1 ZINC001571251260 953316978 /nfs/dbraw/zinc/31/69/78/953316978.db2.gz SZOJTGDELKAQMU-UHFFFAOYSA-N 1 0 384.444 1.536 20 0 GDADRO O=C([C@@H]1CCCOCC1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571251581 953318430 /nfs/dbraw/zinc/31/84/30/953318430.db2.gz ZQWWLWXWRAFSBP-WBVHZDCISA-N 1 0 384.484 1.764 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571251822 953320128 /nfs/dbraw/zinc/32/01/28/953320128.db2.gz ANNPZIAGHXGXOY-HZPDHXFCSA-N 1 0 384.488 1.539 20 0 GDADRO Cc1nc(N2C[C@H](NC(=O)C[NH+]3CCCC3)CC[C@H]2C)ccc1-c1nn[nH]n1 ZINC001571252321 953325934 /nfs/dbraw/zinc/32/59/34/953325934.db2.gz LANZULVUERLFGP-UKRRQHHQSA-N 1 0 384.488 1.139 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)C[NH+]3CCCC3)CC[C@H]2C)n1 ZINC001571252832 953332627 /nfs/dbraw/zinc/33/26/27/953332627.db2.gz WHPYSTFEDWYXIA-CABCVRRESA-N 1 0 384.488 1.139 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)no1 ZINC001571255624 953352074 /nfs/dbraw/zinc/35/20/74/953352074.db2.gz RBXJRJVZOFQHKP-QLJPJBMISA-N 1 0 385.403 1.553 20 0 GDADRO CN(C(=O)c1ccc(F)cc1F)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571256302 953368465 /nfs/dbraw/zinc/36/84/65/953368465.db2.gz UKKCIQWKLNOORN-UHFFFAOYSA-N 1 0 385.378 1.677 20 0 GDADRO C[NH+]1CCN(c2cccc(Cl)c2CNC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001593786983 954713640 /nfs/dbraw/zinc/71/36/40/954713640.db2.gz NDPPPANZPRVXQE-UHFFFAOYSA-N 1 0 380.920 1.730 20 0 GDADRO CC[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000874419739 956212589 /nfs/dbraw/zinc/21/25/89/956212589.db2.gz SUUXVULRWGZLSC-IBGZPJMESA-N 1 0 388.512 1.841 20 0 GDADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001589175698 956498485 /nfs/dbraw/zinc/49/84/85/956498485.db2.gz IYIZJRXNRCCOSP-HNNXBMFYSA-N 1 0 389.500 1.455 20 0 GDADRO C[C@H](CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC001592659902 978642649 /nfs/dbraw/zinc/64/26/49/978642649.db2.gz IZEMIKOWNOQUNN-SJORKVTESA-N 1 0 388.512 1.624 20 0 GDADRO CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH+]([C@@H](C)CC(=O)[O-])CC3)cc2)CC1 ZINC000829780404 979007519 /nfs/dbraw/zinc/00/75/19/979007519.db2.gz GQRCJNSVVSAQAW-KRWDZBQOSA-N 1 0 388.512 1.450 20 0 GDADRO O=C([O-])CCC[NH+]1CCC(NCc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC001119596981 982998645 /nfs/dbraw/zinc/99/86/45/982998645.db2.gz CINPAKBQSOCOOZ-UHFFFAOYSA-N 1 0 395.525 1.645 20 0 GDADRO CN(C(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1C(=O)[O-] ZINC001598022433 990214668 /nfs/dbraw/zinc/21/46/68/990214668.db2.gz FTYYFVQPTNFRDS-QAPCUYQASA-N 1 0 375.469 1.566 20 0 GDADRO CN(C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)C1CC[NH+](C)CC1 ZINC001598583261 993348015 /nfs/dbraw/zinc/34/80/15/993348015.db2.gz BRKURPHMMYKPDO-UHFFFAOYSA-N 1 0 389.500 1.451 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)[O-])C1 ZINC001599578569 998488031 /nfs/dbraw/zinc/48/80/31/998488031.db2.gz BCXJZQUJWULLSV-SRBZOADZSA-N 1 0 381.860 1.801 20 0 GDADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000116350686 1126076341 /nfs/dbraw/zinc/07/63/41/1126076341.db2.gz UGNCLKLTVCYLCA-KRWDZBQOSA-N 1 0 383.496 1.740 20 0 GDADRO O=S(=O)(c1ccccc1C[NH2+][C@@H](CO)Cc1ccccc1)N1CCOCC1 ZINC000479439048 1126094658 /nfs/dbraw/zinc/09/46/58/1126094658.db2.gz PXQKRNMCLLMSJN-LJQANCHMSA-N 1 0 390.505 1.401 20 0 GDADRO NS(=O)(=O)c1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000877037356 1126121656 /nfs/dbraw/zinc/12/16/56/1126121656.db2.gz ODCZOXVUIMEIJR-HZPDHXFCSA-N 1 0 388.411 1.958 20 0 GDADRO Cn1c2nnc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)n2c2ccccc2c1=O ZINC000933441939 1126141816 /nfs/dbraw/zinc/14/18/16/1126141816.db2.gz QGIGDLHWNJCGHC-NRFANRHFSA-N 1 0 395.438 1.804 20 0 GDADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC001589881479 1126215488 /nfs/dbraw/zinc/21/54/88/1126215488.db2.gz RRPPQVSGIGVTEA-SFHVURJKSA-N 1 0 382.403 1.132 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(S(C)(=O)=O)cs3)cn2)CC1 ZINC000158422555 530532856 /nfs/dbraw/zinc/53/28/56/530532856.db2.gz ZGOBKIMMUYHAGY-UHFFFAOYSA-N 1 0 380.495 1.551 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000158855312 530537062 /nfs/dbraw/zinc/53/70/62/530537062.db2.gz IXWXKIANXAKOEW-UHFFFAOYSA-N 1 0 379.404 1.005 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)c(F)c1 ZINC000158931829 530537440 /nfs/dbraw/zinc/53/74/40/530537440.db2.gz XNELJCXNTYFMTC-LLVKDONJSA-N 1 0 395.294 1.713 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c(Br)c1 ZINC000159013066 530539130 /nfs/dbraw/zinc/53/91/30/530539130.db2.gz CSVOMXYBVUFMFD-UHFFFAOYSA-N 1 0 391.331 1.883 20 0 GDADRO CC1CC[NH+](CCCNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000159176151 530540453 /nfs/dbraw/zinc/54/04/53/530540453.db2.gz KCYBSVRKWYFBJP-UHFFFAOYSA-N 1 0 391.896 1.978 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NCCC2CC[NH+](C)CC2)s1 ZINC000159135525 530540511 /nfs/dbraw/zinc/54/05/11/530540511.db2.gz MRMFKUAPXCDAJT-UHFFFAOYSA-N 1 0 388.559 1.366 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccccc2Br)CC1 ZINC000161665256 530562909 /nfs/dbraw/zinc/56/29/09/530562909.db2.gz NPGGNJDAEYTAAL-ZDUSSCGKSA-N 1 0 391.331 1.820 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000161850065 530563697 /nfs/dbraw/zinc/56/36/97/530563697.db2.gz PDQFTZIGTCGQIJ-KBPBESRZSA-N 1 0 385.555 1.851 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000162007294 530565361 /nfs/dbraw/zinc/56/53/61/530565361.db2.gz CLFHYHGLIVRDBC-UHFFFAOYSA-N 1 0 384.274 1.950 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NCC[N@H+](C)CC)c1 ZINC000162300941 530567665 /nfs/dbraw/zinc/56/76/65/530567665.db2.gz FMGWWPNGYXNCAU-UHFFFAOYSA-N 1 0 393.303 1.856 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000163078904 530572962 /nfs/dbraw/zinc/57/29/62/530572962.db2.gz LWIUUEJMSHMBSQ-FZMZJTMJSA-N 1 0 391.331 1.648 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000163227515 530574416 /nfs/dbraw/zinc/57/44/16/530574416.db2.gz KLBLTMSDTLDWFN-ZDUSSCGKSA-N 1 0 395.294 1.699 20 0 GDADRO COc1nc(N2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)ncc1Br ZINC000163233105 530574972 /nfs/dbraw/zinc/57/49/72/530574972.db2.gz LMZQBIJLXRQBIF-ZDUSSCGKSA-N 1 0 384.322 1.854 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000023991967 530576699 /nfs/dbraw/zinc/57/66/99/530576699.db2.gz IFZZSUHQZFDFQN-GFCCVEGCSA-N 1 0 389.905 1.376 20 0 GDADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC[N@@H+]1C ZINC000164251630 530579457 /nfs/dbraw/zinc/57/94/57/530579457.db2.gz CRPHUYWCQRNPMJ-ZJUUUORDSA-N 1 0 377.869 1.681 20 0 GDADRO C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000165379421 530580539 /nfs/dbraw/zinc/58/05/39/530580539.db2.gz UJWOBOUNXJRHPB-VXGBXAGGSA-N 1 0 383.290 1.877 20 0 GDADRO CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000025331749 530580893 /nfs/dbraw/zinc/58/08/93/530580893.db2.gz NRNHSQDSBKFKOA-MRXNPFEDSA-N 1 0 381.523 1.997 20 0 GDADRO C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171247375 530596198 /nfs/dbraw/zinc/59/61/98/530596198.db2.gz MWGQBFYMOUXMQA-MJBXVCDLSA-N 1 0 387.933 1.996 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000171608478 530601337 /nfs/dbraw/zinc/60/13/37/530601337.db2.gz PFYWTAQBVJNRRH-AWEZNQCLSA-N 1 0 388.921 1.354 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000171957722 530605370 /nfs/dbraw/zinc/60/53/70/530605370.db2.gz FVUUOLKQUNXPPQ-UHFFFAOYSA-N 1 0 394.273 1.171 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000172076961 530607988 /nfs/dbraw/zinc/60/79/88/530607988.db2.gz WPVPVNBEAHCHCU-NSHDSACASA-N 1 0 380.919 1.316 20 0 GDADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000026854679 530586465 /nfs/dbraw/zinc/58/64/65/530586465.db2.gz GZMVREDOYPZWIH-UHFFFAOYSA-N 1 0 382.507 1.630 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000041719787 530624166 /nfs/dbraw/zinc/62/41/66/530624166.db2.gz OPYAZQGVSAGZGG-UHFFFAOYSA-N 1 0 397.317 1.531 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000173137946 530624376 /nfs/dbraw/zinc/62/43/76/530624376.db2.gz OXPUCQPEOAJLME-UHFFFAOYSA-N 1 0 391.269 1.927 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000043473039 530635096 /nfs/dbraw/zinc/63/50/96/530635096.db2.gz XYPJFKKUVLKZQZ-UHFFFAOYSA-N 1 0 390.575 1.905 20 0 GDADRO O=S1(=O)CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000037982307 530616950 /nfs/dbraw/zinc/61/69/50/530616950.db2.gz VDOMXZSRMMXICD-DGCLKSJQSA-N 1 0 378.288 1.213 20 0 GDADRO Cc1ccc(S(N)(=O)=O)cc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000176257154 530680143 /nfs/dbraw/zinc/68/01/43/530680143.db2.gz DZJLDFPYDDMNKX-UHFFFAOYSA-N 1 0 381.523 1.908 20 0 GDADRO CCS(=O)(=O)NCCCNC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000051684604 530680903 /nfs/dbraw/zinc/68/09/03/530680903.db2.gz ZSWOWFIZNVRYLG-MRXNPFEDSA-N 1 0 376.567 1.372 20 0 GDADRO O[C@@H](C[NH2+]C1CCOCC1)COc1ccc(I)cc1 ZINC000174340958 530646894 /nfs/dbraw/zinc/64/68/94/530646894.db2.gz NPHSWJNPAQCRJM-ZDUSSCGKSA-N 1 0 377.222 1.800 20 0 GDADRO COc1cc(C[NH2+]C[C@@](C)(O)CN2CCOCC2)c(Br)cc1O ZINC000174489479 530649911 /nfs/dbraw/zinc/64/99/11/530649911.db2.gz OYRBJLLSGVXZIA-MRXNPFEDSA-N 1 0 389.290 1.336 20 0 GDADRO 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O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)nc1Cl ZINC000178725893 530726587 /nfs/dbraw/zinc/72/65/87/530726587.db2.gz VQTMUDCNLWYZNG-LLVKDONJSA-N 1 0 382.313 1.904 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1Br ZINC000178793652 530728083 /nfs/dbraw/zinc/72/80/83/530728083.db2.gz RKVDVOVNTXCWBG-LLVKDONJSA-N 1 0 390.303 1.181 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[NH2+]CC2)c(Br)c1 ZINC000178891267 530730185 /nfs/dbraw/zinc/73/01/85/530730185.db2.gz FLMFFXSNWOEACN-UHFFFAOYSA-N 1 0 377.260 1.220 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNC(=O)CN(C)C(=O)c2ccc(Br)o2)C1 ZINC000058274525 530731691 /nfs/dbraw/zinc/73/16/91/530731691.db2.gz HFDAVISXFDLQSL-GFCCVEGCSA-N 1 0 386.290 1.962 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000178951402 530732340 /nfs/dbraw/zinc/73/23/40/530732340.db2.gz KDCGCZNKIDIRHN-AWEZNQCLSA-N 1 0 387.937 1.108 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000178967071 530733032 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Cc1csc(NC(=O)C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000180528369 530767212 /nfs/dbraw/zinc/76/72/12/530767212.db2.gz XAOYQBVMWIMOJG-GFCCVEGCSA-N 1 0 382.511 1.991 20 0 GDADRO CS(=O)(=O)Nc1cccc2c1CC[N@H+](CCCNC(=O)C(F)(F)F)C2 ZINC000180578180 530767915 /nfs/dbraw/zinc/76/79/15/530767915.db2.gz FTKFANBEXGOFPO-UHFFFAOYSA-N 1 0 379.404 1.485 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)CS(C)(=O)=O)s1 ZINC000182815825 530805501 /nfs/dbraw/zinc/80/55/01/530805501.db2.gz ZHHXNPMUUPJNCP-GFCCVEGCSA-N 1 0 382.573 1.344 20 0 GDADRO CC(C)[C@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)[NH+]1CCCCCC1 ZINC000069397971 530796916 /nfs/dbraw/zinc/79/69/16/530796916.db2.gz TZDQIYMVROEYEO-HNNXBMFYSA-N 1 0 376.567 1.514 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000102018125 530827015 /nfs/dbraw/zinc/82/70/15/530827015.db2.gz MIMYDAISCDUKQY-UHFFFAOYSA-N 1 0 385.306 1.818 20 0 GDADRO CC[N@H+](CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)C(C)C ZINC000102481221 530828292 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C[S@@](=O)C[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000183157204 530809818 /nfs/dbraw/zinc/80/98/18/530809818.db2.gz QKLMELYMGJEFKQ-NXMSCROESA-N 1 0 381.519 1.833 20 0 GDADRO NC(=O)C1(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCOCC1 ZINC000183451299 530815748 /nfs/dbraw/zinc/81/57/48/530815748.db2.gz CRWGYTGDTFWHCD-UHFFFAOYSA-N 1 0 384.267 1.946 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000098035891 530822415 /nfs/dbraw/zinc/82/24/15/530822415.db2.gz KQJDATUQGXLZDQ-LBPRGKRZSA-N 1 0 379.262 1.587 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc(I)cc(C)c1C ZINC000183994285 530824040 /nfs/dbraw/zinc/82/40/40/530824040.db2.gz IJVNNUADPPCDSU-UHFFFAOYSA-N 1 0 390.265 1.952 20 0 GDADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000185997232 530849439 /nfs/dbraw/zinc/84/94/39/530849439.db2.gz SPLRKAIPPCPRME-LLVKDONJSA-N 1 0 389.315 1.956 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cnc1Cl ZINC000106820682 530850094 /nfs/dbraw/zinc/85/00/94/530850094.db2.gz XVVGVMUGSGBZRB-SNVBAGLBSA-N 1 0 375.698 1.863 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cnc1Cl ZINC000106820679 530850266 /nfs/dbraw/zinc/85/02/66/530850266.db2.gz XVVGVMUGSGBZRB-JTQLQIEISA-N 1 0 375.698 1.863 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000106891136 530850926 /nfs/dbraw/zinc/85/09/26/530850926.db2.gz SVVODLPAGLKMBB-AWEZNQCLSA-N 1 0 385.555 1.722 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)CC1 ZINC000106894131 530851115 /nfs/dbraw/zinc/85/11/15/530851115.db2.gz XIBJKBXIBZVYSN-AWEZNQCLSA-N 1 0 387.933 1.749 20 0 GDADRO CS(=O)(=O)NCCN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000107298229 530852881 /nfs/dbraw/zinc/85/28/81/530852881.db2.gz UWCFQJMBROOYIZ-UHFFFAOYSA-N 1 0 379.448 1.762 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000186322312 530855225 /nfs/dbraw/zinc/85/52/25/530855225.db2.gz PPAAVGUHOYHDIE-ZDUSSCGKSA-N 1 0 378.270 1.838 20 0 GDADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)NCC1=CC[NH2+]CC1 ZINC000186322086 530855375 /nfs/dbraw/zinc/85/53/75/530855375.db2.gz QGNAFHKPAALPFU-UHFFFAOYSA-N 1 0 391.269 1.585 20 0 GDADRO C[NH+](C)CCn1nnnc1SCC(=O)NCCOc1ccc(Cl)cc1 ZINC000108121476 530856236 /nfs/dbraw/zinc/85/62/36/530856236.db2.gz LYOLXWUZGNFYNH-UHFFFAOYSA-N 1 0 384.893 1.175 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000108400067 530857106 /nfs/dbraw/zinc/85/71/06/530857106.db2.gz XTPHUUJPUCOHBK-CYBMUJFWSA-N 1 0 393.912 1.856 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000108384251 530857566 /nfs/dbraw/zinc/85/75/66/530857566.db2.gz FVAQRTVSOGSOQI-HUUCEWRRSA-N 1 0 388.555 1.736 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000109182007 530861457 /nfs/dbraw/zinc/86/14/57/530861457.db2.gz AYJITXGCMUOGLV-CYBMUJFWSA-N 1 0 398.301 1.597 20 0 GDADRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000186784206 530862503 /nfs/dbraw/zinc/86/25/03/530862503.db2.gz OIZKGJKYRBBVHE-HNNXBMFYSA-N 1 0 388.555 1.774 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000110996169 530871247 /nfs/dbraw/zinc/87/12/47/530871247.db2.gz WEVXUNFFWXVUIW-LLVKDONJSA-N 1 0 379.935 1.670 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000110994053 530871279 /nfs/dbraw/zinc/87/12/79/530871279.db2.gz ZQSGMANNRZACBA-OAHLLOKOSA-N 1 0 387.933 1.951 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000111209873 530873112 /nfs/dbraw/zinc/87/31/12/530873112.db2.gz MOJZPHQTTBNEBA-UHFFFAOYSA-N 1 0 388.921 1.819 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000105325266 530842366 /nfs/dbraw/zinc/84/23/66/530842366.db2.gz ZCUJUKZZSKCYGA-LSDHHAIUSA-N 1 0 385.555 1.762 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000185596989 530843613 /nfs/dbraw/zinc/84/36/13/530843613.db2.gz XGGTXNOEDVINFF-UHFFFAOYSA-N 1 0 381.782 1.728 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000105730522 530844585 /nfs/dbraw/zinc/84/45/85/530844585.db2.gz BTBQKSBWWLMFQK-UHFFFAOYSA-N 1 0 386.290 1.733 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115442350 530899801 /nfs/dbraw/zinc/89/98/01/530899801.db2.gz WDPFSBWISWVMDH-UONOGXRCSA-N 1 0 387.933 1.807 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)C1 ZINC000115873960 530902061 /nfs/dbraw/zinc/90/20/61/530902061.db2.gz LIHPGQMPOVTAAI-XELLLNAOSA-N 1 0 385.917 1.567 20 0 GDADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783799 530906905 /nfs/dbraw/zinc/90/69/05/530906905.db2.gz FQUQKCNFMUQZEQ-NWDGAFQWSA-N 1 0 388.295 1.901 20 0 GDADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187836433 530879286 /nfs/dbraw/zinc/87/92/86/530879286.db2.gz YSGJIAZGJKNGDJ-ZDUSSCGKSA-N 1 0 387.933 1.558 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cc(OC)ccc3Cl)C2)CC1 ZINC000112362389 530881351 /nfs/dbraw/zinc/88/13/51/530881351.db2.gz QGYUZGBCRIRLIM-CQSZACIVSA-N 1 0 387.933 1.749 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CCn1cc(Br)ccc1=O ZINC000112911238 530885524 /nfs/dbraw/zinc/88/55/24/530885524.db2.gz UDFYKZKRRKCLSE-UHFFFAOYSA-N 1 0 399.333 1.097 20 0 GDADRO O=C(NCCN1CCCOCC1)C(=O)Nc1cc(Br)ccc1F ZINC000188164459 530887357 /nfs/dbraw/zinc/88/73/57/530887357.db2.gz SEDUGDZPCCRLAS-UHFFFAOYSA-N 1 0 388.237 1.365 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000113267795 530887638 /nfs/dbraw/zinc/88/76/38/530887638.db2.gz XQDHSPVXBXHIDE-CHWSQXEVSA-N 1 0 385.917 1.851 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190596017 530933653 /nfs/dbraw/zinc/93/36/53/530933653.db2.gz ATYNBVOLRMPDGZ-JTQLQIEISA-N 1 0 391.274 1.823 20 0 GDADRO CC(C)[C@@H](CNC(=O)c1ncc(Br)s1)N1CC[NH+](C)CC1 ZINC000189448499 530913090 /nfs/dbraw/zinc/91/30/90/530913090.db2.gz CQXZZDGWGONLCG-LLVKDONJSA-N 1 0 375.336 1.907 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1)C1CC1 ZINC000118101481 530915726 /nfs/dbraw/zinc/91/57/26/530915726.db2.gz MXKLFWPKEHBAPT-SGANQWHYSA-N 1 0 385.917 1.613 20 0 GDADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000118109200 530916002 /nfs/dbraw/zinc/91/60/02/530916002.db2.gz QISWCQXBAJIAIR-UHFFFAOYSA-N 1 0 395.261 1.036 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000118106125 530916102 /nfs/dbraw/zinc/91/61/02/530916102.db2.gz ZSIPPXDOHQRMDG-LLVKDONJSA-N 1 0 384.274 1.744 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000189768751 530920660 /nfs/dbraw/zinc/92/06/60/530920660.db2.gz ODHDNTDBXGXGRM-UHFFFAOYSA-N 1 0 397.317 1.484 20 0 GDADRO O=C(Nc1ccc(I)cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189800402 530921031 /nfs/dbraw/zinc/92/10/31/530921031.db2.gz MJICPIBRHZQSSS-UHFFFAOYSA-N 1 0 399.232 1.536 20 0 GDADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190033178 530924523 /nfs/dbraw/zinc/92/45/23/530924523.db2.gz SJPYYIIZPCFCLB-AWEZNQCLSA-N 1 0 381.274 1.869 20 0 GDADRO O=S(=O)(NCCCCN1CC[NH+](CCO)CC1)c1ccc(Cl)s1 ZINC000119506956 530926896 /nfs/dbraw/zinc/92/68/96/530926896.db2.gz PZTIQLXSLJSHJW-UHFFFAOYSA-N 1 0 381.951 1.070 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cccc(Br)c2OC)C1 ZINC000190282532 530927573 /nfs/dbraw/zinc/92/75/73/530927573.db2.gz IFEANMQZVAZEGA-UHFFFAOYSA-N 1 0 377.304 1.829 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000192055792 530960712 /nfs/dbraw/zinc/96/07/12/530960712.db2.gz RGWHYAIXCMNECM-UHFFFAOYSA-N 1 0 398.276 1.968 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000120557941 530942881 /nfs/dbraw/zinc/94/28/81/530942881.db2.gz GNCVBWRBIUZABP-UHFFFAOYSA-N 1 0 382.302 1.614 20 0 GDADRO C[N@H+](CC(=O)Nc1nc2c(s1)CCCC2)C1CCN(S(C)(=O)=O)CC1 ZINC000121329384 530953893 /nfs/dbraw/zinc/95/38/93/530953893.db2.gz RUDVHEDWCSJWCZ-UHFFFAOYSA-N 1 0 386.543 1.316 20 0 GDADRO CS(=O)(=O)CCCS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000121376957 530955876 /nfs/dbraw/zinc/95/58/76/530955876.db2.gz PFSOPSMGEJLZLL-UHFFFAOYSA-N 1 0 394.584 1.314 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000121395944 530955881 /nfs/dbraw/zinc/95/58/81/530955881.db2.gz WGNSLZYLDBRSLO-ZDUSSCGKSA-N 1 0 390.502 1.336 20 0 GDADRO O=S(=O)(NCC[NH+]1CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000191859048 530956151 /nfs/dbraw/zinc/95/61/51/530956151.db2.gz SEVICTILUJXMKA-UHFFFAOYSA-N 1 0 391.287 1.594 20 0 GDADRO C[C@H](C(=O)NCC[NH+]1CCCC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000192724353 530972443 /nfs/dbraw/zinc/97/24/43/530972443.db2.gz TYSLSWXRGLMLAK-LLVKDONJSA-N 1 0 394.269 1.646 20 0 GDADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000122532465 530972566 /nfs/dbraw/zinc/97/25/66/530972566.db2.gz SYIHXBPYYDUAIR-CYBMUJFWSA-N 1 0 390.347 1.672 20 0 GDADRO COc1cc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1Br ZINC000192914819 530975577 /nfs/dbraw/zinc/97/55/77/530975577.db2.gz BJMVHNUQPREPMN-PHIMTYICSA-N 1 0 375.288 1.640 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193100558 530979367 /nfs/dbraw/zinc/97/93/67/530979367.db2.gz HXHZMPVSCMQZSE-UHFFFAOYSA-N 1 0 385.262 1.010 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000193267316 530982953 /nfs/dbraw/zinc/98/29/53/530982953.db2.gz NGQWEFKVZAVINZ-SNVBAGLBSA-N 1 0 375.288 1.614 20 0 GDADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C1 ZINC000193335471 530984298 /nfs/dbraw/zinc/98/42/98/530984298.db2.gz HNQGDTRTDWFLRV-GFCCVEGCSA-N 1 0 379.404 1.351 20 0 GDADRO CN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CC[NH+](C)CC1 ZINC000193347895 530984644 /nfs/dbraw/zinc/98/46/44/530984644.db2.gz RLONSLYSFCUQHQ-UHFFFAOYSA-N 1 0 393.285 1.712 20 0 GDADRO CCC[NH2+]CCNS(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000193342767 530984839 /nfs/dbraw/zinc/98/48/39/530984839.db2.gz NTDKDJCNTAIFCD-UHFFFAOYSA-N 1 0 393.303 1.904 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)c2occc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000122225625 530968555 /nfs/dbraw/zinc/96/85/55/530968555.db2.gz VLXRKMGVNCPMTC-WCQYABFASA-N 1 0 384.274 1.763 20 0 GDADRO Cc1sc(Br)cc1S(=O)(=O)N(C)CCN1CC[NH2+]CC1 ZINC000122297286 530969359 /nfs/dbraw/zinc/96/93/59/530969359.db2.gz VVYAFAUFCGXSHN-UHFFFAOYSA-N 1 0 382.349 1.345 20 0 GDADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000124085148 530991159 /nfs/dbraw/zinc/99/11/59/530991159.db2.gz PHSFKJUGIILUQJ-INIZCTEOSA-N 1 0 386.539 1.623 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000193660332 530991379 /nfs/dbraw/zinc/99/13/79/530991379.db2.gz HQMOKLYWOALWKX-SUMWQHHRSA-N 1 0 396.329 1.895 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000124099715 530991497 /nfs/dbraw/zinc/99/14/97/530991497.db2.gz WGBLKBGKRLTGGP-HNNXBMFYSA-N 1 0 382.302 1.679 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)s1 ZINC000193410754 530985832 /nfs/dbraw/zinc/98/58/32/530985832.db2.gz ONIAHKPLAOTTAJ-HIFRSBDPSA-N 1 0 387.571 1.729 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193410909 530986253 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GDADRO CC(C)[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000441155831 531353860 /nfs/dbraw/zinc/35/38/60/531353860.db2.gz PNCUBZMXOQLUER-UHFFFAOYSA-N 1 0 394.900 1.397 20 0 GDADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCOC1)Nc1ccc(Br)cc1F ZINC000411998780 531354540 /nfs/dbraw/zinc/35/45/40/531354540.db2.gz WQUZFJCNWZAAEF-QMTHXVAHSA-N 1 0 375.238 1.904 20 0 GDADRO CNc1cc(I)ccc1C(=O)NCCOCC[NH+](C)C ZINC000412240152 531360677 /nfs/dbraw/zinc/36/06/77/531360677.db2.gz IJANHCQWASEABD-UHFFFAOYSA-N 1 0 391.253 1.641 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000479938228 531363830 /nfs/dbraw/zinc/36/38/30/531363830.db2.gz ILRGVNFWBSPFJJ-AWEZNQCLSA-N 1 0 387.933 1.809 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000441837195 531364112 /nfs/dbraw/zinc/36/41/12/531364112.db2.gz LYZUWFJLCBJEIC-UHFFFAOYSA-N 1 0 392.681 1.735 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266886182 531374843 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CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC000481415337 531385411 /nfs/dbraw/zinc/38/54/11/531385411.db2.gz XLFVNLVKRMLVKC-BLLLJJGKSA-N 1 0 386.905 1.718 20 0 GDADRO C[C@H]1C[C@@H](N(C)C(=O)c2c(I)cnn2C)CC[N@@H+]1C ZINC000292929734 531389888 /nfs/dbraw/zinc/38/98/88/531389888.db2.gz WYLARQYMNPTJFQ-UWVGGRQHSA-N 1 0 376.242 1.579 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000443369213 531392461 /nfs/dbraw/zinc/39/24/61/531392461.db2.gz ZCFWVVTZGMLOEH-SDDRHHMPSA-N 1 0 375.516 1.574 20 0 GDADRO Cc1ccc([C@H]([NH2+]C[C@H](O)COCC(F)(F)F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000293006171 531394064 /nfs/dbraw/zinc/39/40/64/531394064.db2.gz UACFWOCTCHSDTN-VHDGCEQUSA-N 1 0 383.432 1.999 20 0 GDADRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442868223 531377712 /nfs/dbraw/zinc/37/77/12/531377712.db2.gz NGQIUQLAUFRQAE-LBPRGKRZSA-N 1 0 393.912 1.994 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CC1 ZINC000278672042 531378763 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GDADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000415306288 531473525 /nfs/dbraw/zinc/47/35/25/531473525.db2.gz WDXABNFGYUNQJJ-GWCFXTLKSA-N 1 0 378.445 1.867 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000449701888 531473594 /nfs/dbraw/zinc/47/35/94/531473594.db2.gz XRYFCMRVCVFEBP-CQSZACIVSA-N 1 0 396.285 1.679 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415308138 531473834 /nfs/dbraw/zinc/47/38/34/531473834.db2.gz OZOYFRGMFPWUSV-UHFFFAOYSA-N 1 0 384.267 1.902 20 0 GDADRO O=C(CSCc1cc(=O)n2ccsc2n1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363147518 531473814 /nfs/dbraw/zinc/47/38/14/531473814.db2.gz VYODXHRGDHBOTL-OCCSQVGLSA-N 1 0 378.523 1.732 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c(C)cc1Br ZINC000415315778 531474307 /nfs/dbraw/zinc/47/43/07/531474307.db2.gz MGWUZXWOBPPNFZ-SNVBAGLBSA-N 1 0 398.257 1.351 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000268098349 531474348 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C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000449729918 531474940 /nfs/dbraw/zinc/47/49/40/531474940.db2.gz ORARUMQQOCMYEP-ZWNOBZJWSA-N 1 0 381.420 1.436 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000415331547 531475738 /nfs/dbraw/zinc/47/57/38/531475738.db2.gz SWXLGNXWEMBIBI-UHFFFAOYSA-N 1 0 388.251 1.929 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000415332563 531476244 /nfs/dbraw/zinc/47/62/44/531476244.db2.gz VBFRKMOJQUUZJH-UHFFFAOYSA-N 1 0 384.274 1.915 20 0 GDADRO COC(=O)C(C)(C)CC[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000449752763 531476279 /nfs/dbraw/zinc/47/62/79/531476279.db2.gz GRVQUCKIAXNHRJ-UHFFFAOYSA-N 1 0 376.450 1.373 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000449753921 531476378 /nfs/dbraw/zinc/47/63/78/531476378.db2.gz PBSBROTZDOXAEP-ZDUSSCGKSA-N 1 0 389.315 1.621 20 0 GDADRO O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415337394 531476830 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CN(Cc1ccc(Br)o1)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414723906 531462985 /nfs/dbraw/zinc/46/29/85/531462985.db2.gz DBWRCYCKKVANGW-UHFFFAOYSA-N 1 0 396.241 1.977 20 0 GDADRO CC(C)Cc1nnc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000414703351 531463364 /nfs/dbraw/zinc/46/33/64/531463364.db2.gz IUUDQXQIIWDWOG-SNVBAGLBSA-N 1 0 380.440 1.694 20 0 GDADRO COc1ccc(Br)cc1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000414987058 531464736 /nfs/dbraw/zinc/46/47/36/531464736.db2.gz JTOPLCORAZPACD-CYBMUJFWSA-N 1 0 383.290 1.969 20 0 GDADRO CS[C@H]1CN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000538095521 531464865 /nfs/dbraw/zinc/46/48/65/531464865.db2.gz VLNDXQAUJJOXOA-RYUDHWBXSA-N 1 0 383.461 1.835 20 0 GDADRO [NH3+]C[C@@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)CCCO1 ZINC000415109085 531465499 /nfs/dbraw/zinc/46/54/99/531465499.db2.gz NLRMXKHCJASLKC-MRXNPFEDSA-N 1 0 384.318 1.835 20 0 GDADRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)cc1 ZINC000538201152 531465739 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20 0 GDADRO C[C@@](O)(C[NH2+]Cc1ccc(I)cc1)CN1CCOCC1 ZINC000449154815 531467942 /nfs/dbraw/zinc/46/79/42/531467942.db2.gz OMBAHDWPYZVBLU-OAHLLOKOSA-N 1 0 390.265 1.464 20 0 GDADRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449254096 531468377 /nfs/dbraw/zinc/46/83/77/531468377.db2.gz WTIKTRDOTVXVPG-COXVUDFISA-N 1 0 388.555 1.644 20 0 GDADRO COc1cc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1Br ZINC000415263999 531468902 /nfs/dbraw/zinc/46/89/02/531468902.db2.gz KJFLOGNVKLFKDG-LLVKDONJSA-N 1 0 399.289 1.777 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000415263745 531468951 /nfs/dbraw/zinc/46/89/51/531468951.db2.gz AGHIAOPGQBPCSH-UHFFFAOYSA-N 1 0 387.221 1.406 20 0 GDADRO COC(=O)COC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000449317718 531470156 /nfs/dbraw/zinc/47/01/56/531470156.db2.gz BMAKLZIDPZCYKR-JTQLQIEISA-N 1 0 399.296 1.439 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1OC ZINC000415272497 531470782 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CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1Br ZINC000415363558 531479246 /nfs/dbraw/zinc/47/92/46/531479246.db2.gz QTEQQCKYHXEYJM-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2I)C1 ZINC000415363951 531479266 /nfs/dbraw/zinc/47/92/66/531479266.db2.gz RKBCCDBIZZKVJH-MRVPVSSYSA-N 1 0 391.184 1.176 20 0 GDADRO C[C@@H](Sc1ccccn1)C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000268165517 531480639 /nfs/dbraw/zinc/48/06/39/531480639.db2.gz IZIFKSSLDIXRES-CABCVRRESA-N 1 0 385.555 1.530 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000415384444 531481718 /nfs/dbraw/zinc/48/17/18/531481718.db2.gz YUSUHTYTMOQLRP-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415414099 531483963 /nfs/dbraw/zinc/48/39/63/531483963.db2.gz JIXOMPDFXLPMFM-JTQLQIEISA-N 1 0 379.258 1.908 20 0 GDADRO C[C@@H](NC[C@@H]1C[N@H+](C)CCN1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280274282 531484910 /nfs/dbraw/zinc/48/49/10/531484910.db2.gz YAYKWAADIKIPQQ-GHMZBOCLSA-N 1 0 395.356 1.537 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cnn(C)c1I ZINC000294558734 531484983 /nfs/dbraw/zinc/48/49/83/531484983.db2.gz DYTHQRKPXQALDD-SNVBAGLBSA-N 1 0 378.258 1.875 20 0 GDADRO C[C@@H](NC[C@H]1C[N@H+](C)CCN1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280274286 531485137 /nfs/dbraw/zinc/48/51/37/531485137.db2.gz YAYKWAADIKIPQQ-MNOVXSKESA-N 1 0 395.356 1.537 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2I)CC[C@@H]1[NH3+] ZINC000415428583 531485203 /nfs/dbraw/zinc/48/52/03/531485203.db2.gz CWWKCLXMQSLQGR-ONGXEEELSA-N 1 0 387.221 1.425 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415431424 531485239 /nfs/dbraw/zinc/48/52/39/531485239.db2.gz SJLDKKKFHFMPOV-SNVBAGLBSA-N 1 0 394.273 1.820 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415436199 531486163 /nfs/dbraw/zinc/48/61/63/531486163.db2.gz JKUYNHIHJKLLTI-LLVKDONJSA-N 1 0 389.237 1.638 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415437561 531486242 /nfs/dbraw/zinc/48/62/42/531486242.db2.gz CMQOUPGICUODAX-PRHODGIISA-N 1 0 388.251 1.914 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415436752 531486282 /nfs/dbraw/zinc/48/62/82/531486282.db2.gz YSAQFOCTLFBXGB-AWEZNQCLSA-N 1 0 399.333 1.939 20 0 GDADRO CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280312188 531487109 /nfs/dbraw/zinc/48/71/09/531487109.db2.gz OMHYERLNYKAJAE-FZMZJTMJSA-N 1 0 394.946 1.724 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000545153596 531488466 /nfs/dbraw/zinc/48/84/66/531488466.db2.gz OVDJNLQXMNATCN-HNNXBMFYSA-N 1 0 377.775 1.063 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415467322 531488962 /nfs/dbraw/zinc/48/89/62/531488962.db2.gz UUXUXXUBMGABJB-UHFFFAOYSA-N 1 0 395.628 1.737 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000280341381 531489132 /nfs/dbraw/zinc/48/91/32/531489132.db2.gz UAWXQHIOZRQKMM-SNVBAGLBSA-N 1 0 381.889 1.808 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc(O)ccc2Br)C1=O ZINC000363531890 531490236 /nfs/dbraw/zinc/49/02/36/531490236.db2.gz BGNYNWGNSHNUFO-ZBEGNZNMSA-N 1 0 382.258 1.965 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1S(=O)(=O)CC ZINC000415506183 531491252 /nfs/dbraw/zinc/49/12/52/531491252.db2.gz ZIMPIIVQUDQXDY-GFCCVEGCSA-N 1 0 389.905 1.706 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415526937 531491391 /nfs/dbraw/zinc/49/13/91/531491391.db2.gz QNFAPMGTGSMEFQ-JGVFFNPUSA-N 1 0 376.201 1.862 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccccc1I ZINC000415516475 531491649 /nfs/dbraw/zinc/49/16/49/531491649.db2.gz GMTGEUOAPZRCRV-UHFFFAOYSA-N 1 0 375.210 1.346 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])c(C)cc1Br ZINC000415546803 531493593 /nfs/dbraw/zinc/49/35/93/531493593.db2.gz BURMAOXYHXTBFH-VIFPVBQESA-N 1 0 386.246 1.336 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415541665 531492317 /nfs/dbraw/zinc/49/23/17/531492317.db2.gz OELPIENYZZXKHP-VHSXEESVSA-N 1 0 381.274 1.856 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1I)C1CC1 ZINC000415543442 531492698 /nfs/dbraw/zinc/49/26/98/531492698.db2.gz XJJYKZCJOCLJEW-JTQLQIEISA-N 1 0 391.184 1.222 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c(C)cc1Br ZINC000415356594 531478292 /nfs/dbraw/zinc/47/82/92/531478292.db2.gz QUDCRVGSMZDDFG-JTQLQIEISA-N 1 0 398.257 1.290 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@H]1CCC[NH2+]C1 ZINC000415352600 531478363 /nfs/dbraw/zinc/47/83/63/531478363.db2.gz PRAJBASDGZYFTL-JQWIXIFHSA-N 1 0 398.276 1.982 20 0 GDADRO C[C@H](CCNC(=O)C(=O)Nc1ccc2nccnc2c1Br)[NH+](C)C ZINC000658429839 531510986 /nfs/dbraw/zinc/51/09/86/531510986.db2.gz YDPVJWGBGZYAIB-SNVBAGLBSA-N 1 0 394.273 1.787 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000489824978 531511093 /nfs/dbraw/zinc/51/10/93/531511093.db2.gz LCKHWCWCSQWKPT-LBPRGKRZSA-N 1 0 389.905 1.214 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1I ZINC000489876772 531513124 /nfs/dbraw/zinc/51/31/24/531513124.db2.gz VHGBPZKUJCOHTE-JTQLQIEISA-N 1 0 382.267 1.828 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000658540674 531513784 /nfs/dbraw/zinc/51/37/84/531513784.db2.gz WGGRAGKUWMUJBX-UHFFFAOYSA-N 1 0 376.201 1.686 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000415693318 531515498 /nfs/dbraw/zinc/51/54/98/531515498.db2.gz ZGJRJHVNHYMBBL-VXGBXAGGSA-N 1 0 398.305 1.882 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)CCC[NH2+]1 ZINC000415712823 531518151 /nfs/dbraw/zinc/51/81/51/531518151.db2.gz VWQSOXCGCJUGFU-MRXNPFEDSA-N 1 0 390.267 1.825 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000415552854 531493839 /nfs/dbraw/zinc/49/38/39/531493839.db2.gz NSLSYOOHQFKNNG-VIFPVBQESA-N 1 0 384.267 2.280 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2I)[C@@H](C)C[NH2+]1 ZINC000415576147 531496613 /nfs/dbraw/zinc/49/66/13/531496613.db2.gz XXHJEBSUPYVRTO-UWVGGRQHSA-N 1 0 387.221 1.439 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C2CCC(CS(C)(=O)=O)CC2)s1 ZINC000294768155 531496692 /nfs/dbraw/zinc/49/66/92/531496692.db2.gz NAGFOAVIXVQKBL-UHFFFAOYSA-N 1 0 394.584 1.528 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000581547545 531497424 /nfs/dbraw/zinc/49/74/24/531497424.db2.gz IISNHDCFZFGYOL-VXGBXAGGSA-N 1 0 393.481 1.323 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415574704 531497391 /nfs/dbraw/zinc/49/73/91/531497391.db2.gz DSRRJJWBBHDVAM-INIZCTEOSA-N 1 0 384.274 1.902 20 0 GDADRO O=S1(=O)CCC[C@H](C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000581544274 531497858 /nfs/dbraw/zinc/49/78/58/531497858.db2.gz VDBKTBVRKXQMAJ-OCCSQVGLSA-N 1 0 381.416 1.860 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000635589402 531498694 /nfs/dbraw/zinc/49/86/94/531498694.db2.gz GVJFOLXFJZQQAD-KGLIPLIRSA-N 1 0 382.448 1.686 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000415592696 531499723 /nfs/dbraw/zinc/49/97/23/531499723.db2.gz CHTXJPWBCMNOHY-UHFFFAOYSA-N 1 0 388.262 1.902 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCn1ccnc1 ZINC000294825230 531500050 /nfs/dbraw/zinc/50/00/50/531500050.db2.gz RWIMLRXUZSCKKZ-LBPRGKRZSA-N 1 0 381.274 1.949 20 0 GDADRO CCn1cc(CN[C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)nn1 ZINC000658176385 531500622 /nfs/dbraw/zinc/50/06/22/531500622.db2.gz LZXGQMRPIFKTRS-VIFPVBQESA-N 1 0 388.291 1.559 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cc(Br)ccn1 ZINC000415597975 531501764 /nfs/dbraw/zinc/50/17/64/531501764.db2.gz OJPZGHLUGQLKLM-JTQLQIEISA-N 1 0 396.211 1.802 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415605439 531501932 /nfs/dbraw/zinc/50/19/32/531501932.db2.gz CLJRVKHGMCBETI-BXKDBHETSA-N 1 0 381.274 1.774 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000415608277 531503195 /nfs/dbraw/zinc/50/31/95/531503195.db2.gz UHASAOZZXWEIIP-QGZVFWFLSA-N 1 0 396.285 1.998 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1Br ZINC000415623998 531504576 /nfs/dbraw/zinc/50/45/76/531504576.db2.gz ITXMSWNKPGARPV-CYBMUJFWSA-N 1 0 397.317 1.708 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415623814 531504867 /nfs/dbraw/zinc/50/48/67/531504867.db2.gz IFXWJBGJHQJSDF-GFCCVEGCSA-N 1 0 384.274 1.963 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000415618018 531504912 /nfs/dbraw/zinc/50/49/12/531504912.db2.gz QZEKXOMVRWJNPV-GXFFZTMASA-N 1 0 384.274 1.901 20 0 GDADRO COC[C@@](C)(CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000610518973 531505209 /nfs/dbraw/zinc/50/52/09/531505209.db2.gz HWDVHTTZHIIIFN-CQSZACIVSA-N 1 0 395.237 1.795 20 0 GDADRO CC(C)[C@H](C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl)[NH+](C)C ZINC000556958241 531505411 /nfs/dbraw/zinc/50/54/11/531505411.db2.gz INSAKIQCYUEPND-CQSZACIVSA-N 1 0 379.885 1.460 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415645048 531506377 /nfs/dbraw/zinc/50/63/77/531506377.db2.gz WIIYPLYZXKUUCO-LURJTMIESA-N 1 0 381.601 1.347 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000658411394 531506269 /nfs/dbraw/zinc/50/62/69/531506269.db2.gz OFSOLHNOLQMDQA-AWEZNQCLSA-N 1 0 389.543 1.138 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000415641734 531506569 /nfs/dbraw/zinc/50/65/69/531506569.db2.gz GFWWVUNDTFIXDB-CMPLNLGQSA-N 1 0 387.221 1.616 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([N@H+](C)[C@@H](C)C[S@@](C)=O)CC2)cc1 ZINC000363767259 531507010 /nfs/dbraw/zinc/50/70/10/531507010.db2.gz KJFKXQXKKNFZNF-LFPIHBKWSA-N 1 0 388.555 1.547 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000294931789 531507209 /nfs/dbraw/zinc/50/72/09/531507209.db2.gz BQXVJGQIZLNBQP-LLVKDONJSA-N 1 0 395.319 1.884 20 0 GDADRO COc1nc(N2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)ncc1Br ZINC000294913026 531507298 /nfs/dbraw/zinc/50/72/98/531507298.db2.gz HXXYKKVDUVQKII-GFCCVEGCSA-N 1 0 398.305 1.286 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415631992 531507452 /nfs/dbraw/zinc/50/74/52/531507452.db2.gz XQNIRTDLUGOVFI-MFKMUULPSA-N 1 0 384.274 1.901 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000557018583 531507549 /nfs/dbraw/zinc/50/75/49/531507549.db2.gz XCFPLDVBQDJJNH-BQBZGAKWSA-N 1 0 378.654 1.902 20 0 GDADRO CC[NH2+]CCCNC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000581657033 531507846 /nfs/dbraw/zinc/50/78/46/531507846.db2.gz PPMXKNFCTUYGEE-UHFFFAOYSA-N 1 0 380.440 1.778 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280533746 531509886 /nfs/dbraw/zinc/50/98/86/531509886.db2.gz HISRPTNWEILNFA-CABZTGNLSA-N 1 0 390.303 1.416 20 0 GDADRO CSc1ccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000415718748 531520541 /nfs/dbraw/zinc/52/05/41/531520541.db2.gz AZCGCEBLEVMUCV-ZDUSSCGKSA-N 1 0 382.917 1.507 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000415725493 531520633 /nfs/dbraw/zinc/52/06/33/531520633.db2.gz OFPUEYYFAKJCPL-QGZVFWFLSA-N 1 0 396.285 1.998 20 0 GDADRO O=C(C[NH2+]C[C@H](O)CC(F)(F)F)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000581879709 531521522 /nfs/dbraw/zinc/52/15/22/531521522.db2.gz WECWKQTWKHIJMK-CQSZACIVSA-N 1 0 379.810 1.892 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415736416 531522579 /nfs/dbraw/zinc/52/25/79/531522579.db2.gz BGHWHQVRIGKEDB-GHMZBOCLSA-N 1 0 382.258 1.464 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415750688 531523114 /nfs/dbraw/zinc/52/31/14/531523114.db2.gz UPZGKSNDLIBCMG-NEPJUHHUSA-N 1 0 396.285 1.773 20 0 GDADRO CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)CSCC[NH+](CC)CC)cn1 ZINC000490283552 531524432 /nfs/dbraw/zinc/52/44/32/531524432.db2.gz HYPFMSQTGRFVOJ-CPJLOUKISA-N 1 0 386.587 1.610 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415796171 531532712 /nfs/dbraw/zinc/53/27/12/531532712.db2.gz XJINPICJMRKHCJ-UWVGGRQHSA-N 1 0 380.246 1.425 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000582000360 531527637 /nfs/dbraw/zinc/52/76/37/531527637.db2.gz JHKLFEPLRYYILN-RISCZKNCSA-N 1 0 384.274 1.282 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1Br ZINC000415778896 531528714 /nfs/dbraw/zinc/52/87/14/531528714.db2.gz KDQQSQCHHZJGTA-GWCFXTLKSA-N 1 0 382.258 1.607 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C(F)F ZINC000415788432 531530265 /nfs/dbraw/zinc/53/02/65/531530265.db2.gz MJLGYSQKWFOIIV-MRVPVSSYSA-N 1 0 386.143 1.765 20 0 GDADRO CO[C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)[C@H](C[NH3+])C1 ZINC000415786035 531530455 /nfs/dbraw/zinc/53/04/55/531530455.db2.gz HXYUFRIRMBYHFG-QWRGUYRKSA-N 1 0 386.294 1.880 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415792901 531531120 /nfs/dbraw/zinc/53/11/20/531531120.db2.gz UAURVDSGKSKZLP-MNOVXSKESA-N 1 0 383.290 1.840 20 0 GDADRO COCCSCCC[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295169940 531531988 /nfs/dbraw/zinc/53/19/88/531531988.db2.gz GOFIUJZPOQQSDD-UHFFFAOYSA-N 1 0 375.560 1.472 20 0 GDADRO OCCCN1CCC[C@@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000295172981 531532342 /nfs/dbraw/zinc/53/23/42/531532342.db2.gz UNJSHDWBCVBNSM-SNVBAGLBSA-N 1 0 381.283 1.684 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1Br ZINC000415828116 531537324 /nfs/dbraw/zinc/53/73/24/531537324.db2.gz DYEHFAXBEMPZEY-JTQLQIEISA-N 1 0 388.237 1.330 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000415828178 531537497 /nfs/dbraw/zinc/53/74/97/531537497.db2.gz FAEZYNLPKSGYJW-SNVBAGLBSA-N 1 0 378.782 1.317 20 0 GDADRO O=C(NCCCc1ccc(Br)cc1F)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659689490 531553260 /nfs/dbraw/zinc/55/32/60/531553260.db2.gz DWDKRDNESTYMEP-UHFFFAOYSA-N 1 0 398.276 1.505 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C[C@H]1[NH3+] ZINC000415833576 531538753 /nfs/dbraw/zinc/53/87/53/531538753.db2.gz SVWXOVDESXMMSU-BXKDBHETSA-N 1 0 382.251 1.923 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415829585 531538819 /nfs/dbraw/zinc/53/88/19/531538819.db2.gz HEXXMFYFOJNOKY-CYBMUJFWSA-N 1 0 384.274 1.445 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c2cc(Br)ccc21 ZINC000659075271 531538957 /nfs/dbraw/zinc/53/89/57/531538957.db2.gz UHRPFHGRAAIINK-GFCCVEGCSA-N 1 0 380.286 1.942 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000364170242 531539924 /nfs/dbraw/zinc/53/99/24/531539924.db2.gz MTAXSEJQDYLKRL-JTQLQIEISA-N 1 0 375.288 1.725 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C[C@@]1(C)C[NH3+] ZINC000415839912 531540082 /nfs/dbraw/zinc/54/00/82/531540082.db2.gz KMTXOUVKHAMTIV-BMLIUANNSA-N 1 0 398.276 1.921 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000364147695 531541192 /nfs/dbraw/zinc/54/11/92/531541192.db2.gz HZTWQOGBLZHIKN-YHWZYXNKSA-N 1 0 381.270 1.759 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000558013151 531541333 /nfs/dbraw/zinc/54/13/33/531541333.db2.gz TUUOWKXXQBGSGC-QKPAOTATSA-N 1 0 391.603 1.236 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000659104761 531541977 /nfs/dbraw/zinc/54/19/77/531541977.db2.gz QXONCBGHAQHCGT-UHFFFAOYSA-N 1 0 379.258 1.528 20 0 GDADRO CCOC(=O)c1c(C)csc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415848298 531542205 /nfs/dbraw/zinc/54/22/05/531542205.db2.gz XUYOIXNMSPAIDU-MRVPVSSYSA-N 1 0 381.376 1.568 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)C[C@H]1[NH3+] ZINC000415851507 531543374 /nfs/dbraw/zinc/54/33/74/531543374.db2.gz ZFNIFBFOYBLXSJ-ZWNOBZJWSA-N 1 0 392.257 1.379 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1ccc(Br)cc1Cl ZINC000415852786 531543504 /nfs/dbraw/zinc/54/35/04/531543504.db2.gz RQCUXJGHNBUEEN-VIFPVBQESA-N 1 0 376.638 1.146 20 0 GDADRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000636230945 531544185 /nfs/dbraw/zinc/54/41/85/531544185.db2.gz SMPUGWPBZXYGFA-ZIAGYGMSSA-N 1 0 382.448 1.448 20 0 GDADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NS(=O)(=O)N(C)C ZINC000451089423 531544651 /nfs/dbraw/zinc/54/46/51/531544651.db2.gz MFMPGQCNVZMMPW-NSHDSACASA-N 1 0 391.335 1.808 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415861611 531545336 /nfs/dbraw/zinc/54/53/36/531545336.db2.gz QXKJNZIKPHZDPB-UHFFFAOYSA-N 1 0 384.249 1.736 20 0 GDADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000364199870 531545426 /nfs/dbraw/zinc/54/54/26/531545426.db2.gz VQYIEUXJJADBKI-WFASDCNBSA-N 1 0 385.917 1.378 20 0 GDADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415864759 531546923 /nfs/dbraw/zinc/54/69/23/531546923.db2.gz HZKBTRFCZYOXTK-VIFPVBQESA-N 1 0 376.201 1.924 20 0 GDADRO CCC(CC)[C@H](CNC(=O)NCCCN(C)S(C)(=O)=O)[NH+]1CCCC1 ZINC000612339541 531548166 /nfs/dbraw/zinc/54/81/66/531548166.db2.gz YSJATAIERJPUEJ-INIZCTEOSA-N 1 0 376.567 1.468 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)c1Br ZINC000415873432 531548431 /nfs/dbraw/zinc/54/84/31/531548431.db2.gz UVTKYHFSUUIPDL-JTQLQIEISA-N 1 0 398.257 1.433 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415870818 531548452 /nfs/dbraw/zinc/54/84/52/531548452.db2.gz NNBBDHPHGFBGTQ-GMXVVIOVSA-N 1 0 396.285 1.901 20 0 GDADRO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)NCC12CC(C1)C[NH2+]2 ZINC000659491482 531548652 /nfs/dbraw/zinc/54/86/52/531548652.db2.gz VNKMCSDUCYDURJ-UHFFFAOYSA-N 1 0 386.905 1.060 20 0 GDADRO Cn1ncc(Br)c1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000295252249 531548922 /nfs/dbraw/zinc/54/89/22/531548922.db2.gz KEVTWHGXJNRCON-UHFFFAOYSA-N 1 0 385.306 1.900 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000415886850 531549588 /nfs/dbraw/zinc/54/95/88/531549588.db2.gz LTWOTJDOJVYKQV-UHFFFAOYSA-N 1 0 390.665 1.353 20 0 GDADRO CCc1nsc(N2CCCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)n1 ZINC000416008305 531551617 /nfs/dbraw/zinc/55/16/17/531551617.db2.gz NSCILZVOXVYFDX-JTQLQIEISA-N 1 0 380.440 1.602 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000659686181 531552800 /nfs/dbraw/zinc/55/28/00/531552800.db2.gz WOMAZJIGXBIQIE-STQMWFEESA-N 1 0 397.317 1.116 20 0 GDADRO Cn1nnnc1CC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000611327547 531533159 /nfs/dbraw/zinc/53/31/59/531533159.db2.gz IUJXNBDAQHUIOY-LBPRGKRZSA-N 1 0 399.236 1.861 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Br ZINC000415797772 531533412 /nfs/dbraw/zinc/53/34/12/531533412.db2.gz WPSCUGCOLQKCDK-BXUZGUMPSA-N 1 0 396.285 1.997 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415811571 531535435 /nfs/dbraw/zinc/53/54/35/531535435.db2.gz RUCHSNAVPTVOCR-YUMQZZPRSA-N 1 0 376.226 1.777 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC12CCOCC2 ZINC000415813941 531535859 /nfs/dbraw/zinc/53/58/59/531535859.db2.gz CSRWXYRSPIYBSF-GFCCVEGCSA-N 1 0 396.285 1.602 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416033318 531554857 /nfs/dbraw/zinc/55/48/57/531554857.db2.gz RIVPQSYOSWASEF-GFCCVEGCSA-N 1 0 388.456 1.016 20 0 GDADRO CC[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)Cc1cccc(Br)c1 ZINC000659695881 531555676 /nfs/dbraw/zinc/55/56/76/531555676.db2.gz GJENTNHHNZUQCB-STQMWFEESA-N 1 0 384.318 1.858 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(c3ncc(Br)cc3C(F)(F)F)CCN2C1=O ZINC000582857491 531555806 /nfs/dbraw/zinc/55/58/06/531555806.db2.gz ROGFCTRTAWPYOT-SCZZXKLOSA-N 1 0 379.180 1.611 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000659714796 531556277 /nfs/dbraw/zinc/55/62/77/531556277.db2.gz VXKTWNGYGHJZSJ-CYBMUJFWSA-N 1 0 385.295 1.510 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)CCC1 ZINC000659725480 531556999 /nfs/dbraw/zinc/55/69/99/531556999.db2.gz XKPZPTWHHPQZOT-UHFFFAOYSA-N 1 0 385.295 1.640 20 0 GDADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000558554991 531567698 /nfs/dbraw/zinc/56/76/98/531567698.db2.gz VNGDWUQLVNWLMY-QWRGUYRKSA-N 1 0 394.324 1.823 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)C2 ZINC000659721344 531557711 /nfs/dbraw/zinc/55/77/11/531557711.db2.gz HNZYBLDDEWWEJW-CYBMUJFWSA-N 1 0 380.286 1.858 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(C)s1 ZINC000280937558 531558121 /nfs/dbraw/zinc/55/81/21/531558121.db2.gz HOJUVCQJUMXSAE-KGLIPLIRSA-N 1 0 394.584 1.589 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CC[NH2+]1 ZINC000659739552 531558800 /nfs/dbraw/zinc/55/88/00/531558800.db2.gz XFCFEUPCXBOUQW-VIFPVBQESA-N 1 0 377.329 1.977 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NCC13CC(C1)C[NH2+]3)C2 ZINC000659740770 531558972 /nfs/dbraw/zinc/55/89/72/531558972.db2.gz OXFXRDJLFIYSOQ-UHFFFAOYSA-N 1 0 378.270 1.468 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)C2)s1 ZINC000364481948 531568247 /nfs/dbraw/zinc/56/82/47/531568247.db2.gz JWJDSSKFAMNYHS-CQSZACIVSA-N 1 0 387.571 1.962 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000583143231 531564836 /nfs/dbraw/zinc/56/48/36/531564836.db2.gz BZDPPBDJGSVERM-GFCCVEGCSA-N 1 0 376.682 1.818 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)Oc1ccccc1Br ZINC000659702607 531554626 /nfs/dbraw/zinc/55/46/26/531554626.db2.gz QSQAMVFARWJMDP-ZBFVHZJFSA-N 1 0 396.285 1.201 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)CC[C@H]1F ZINC000659696628 531554698 /nfs/dbraw/zinc/55/46/98/531554698.db2.gz FWIBZBUWNPXQKZ-ZIAGYGMSSA-N 1 0 398.276 1.495 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc(I)c(Cl)c1 ZINC000583379609 531573260 /nfs/dbraw/zinc/57/32/60/531573260.db2.gz GPIQLQRKXKPEKC-SNVBAGLBSA-N 1 0 394.640 1.939 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)C[C@H]1C ZINC000451239665 531573985 /nfs/dbraw/zinc/57/39/85/531573985.db2.gz XENZZTZYDHRHSL-ZBFHGGJFSA-N 1 0 388.555 1.725 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000583490072 531578590 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CCCCS(=O)(=O)NCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000558970216 531590273 /nfs/dbraw/zinc/59/02/73/531590273.db2.gz DDYSQQZVQXRLJS-HNNXBMFYSA-N 1 0 375.922 1.778 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000583694031 531590303 /nfs/dbraw/zinc/59/03/03/531590303.db2.gz TXHAPNNHQRGXBU-SNVBAGLBSA-N 1 0 382.313 1.905 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC000559021106 531591443 /nfs/dbraw/zinc/59/14/43/531591443.db2.gz AKLQJYGYLLVBEZ-UHFFFAOYSA-N 1 0 375.441 1.160 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494256027 531592070 /nfs/dbraw/zinc/59/20/70/531592070.db2.gz FYGWSNGFDAEUDQ-HOCLYGCPSA-N 1 0 375.441 1.156 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614347638 531592990 /nfs/dbraw/zinc/59/29/90/531592990.db2.gz IDGMIXRGMUPZBP-NSHDSACASA-N 1 0 399.289 1.854 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1[nH]nc2ccc(Br)cc21 ZINC000295547823 531594847 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GDADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000583989393 531605345 /nfs/dbraw/zinc/60/53/45/531605345.db2.gz AVWWSTKMHJSDOR-CQSZACIVSA-N 1 0 381.274 1.933 20 0 GDADRO C[C@H](O)CCN(C)C(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637119285 531605664 /nfs/dbraw/zinc/60/56/64/531605664.db2.gz QKGPBYXPPMIDFZ-XHDPSFHLSA-N 1 0 390.311 1.942 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)C(=O)N1CCCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000637117692 531606243 /nfs/dbraw/zinc/60/62/43/531606243.db2.gz AENBCSZDNDGARW-HNNXBMFYSA-N 1 0 388.295 1.961 20 0 GDADRO Cc1cc(Br)cnc1N1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000584086377 531611714 /nfs/dbraw/zinc/61/17/14/531611714.db2.gz GXMJFZKDYCZIPC-ZDUSSCGKSA-N 1 0 393.289 1.941 20 0 GDADRO CS(=O)(=O)C[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000559855378 531611942 /nfs/dbraw/zinc/61/19/42/531611942.db2.gz PFPYDLAWBCZOOH-JSGCOSHPSA-N 1 0 392.568 1.172 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCCC[NH3+])ccc2Cl)C[C@H](C)O1 ZINC000269123290 531612410 /nfs/dbraw/zinc/61/24/10/531612410.db2.gz KUMOGWDRDWGPFI-RYUDHWBXSA-N 1 0 389.905 1.217 20 0 GDADRO CCC(CC)(C[NH3+])NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000269145318 531615086 /nfs/dbraw/zinc/61/50/86/531615086.db2.gz CPGFYHNOLFEUKS-UHFFFAOYSA-N 1 0 389.543 1.080 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1CC(F)(F)C1 ZINC000584286658 531612894 /nfs/dbraw/zinc/61/28/94/531612894.db2.gz BHGKHILZYHFPGB-UHFFFAOYSA-N 1 0 382.454 1.098 20 0 GDADRO CC(C)[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)N1CCOCC1 ZINC000559896345 531612934 /nfs/dbraw/zinc/61/29/34/531612934.db2.gz RRXPRHQDZJFFKP-GOEBONIOSA-N 1 0 386.334 1.946 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000559904125 531613072 /nfs/dbraw/zinc/61/30/72/531613072.db2.gz ONZGDZXDDRSPQG-GFCCVEGCSA-N 1 0 397.317 1.347 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 ZINC000269131618 531614436 /nfs/dbraw/zinc/61/44/36/531614436.db2.gz OVVXXHKKYBKRJF-CYBMUJFWSA-N 1 0 385.917 1.949 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ncc(C(F)(F)F)s1 ZINC000281416521 531614797 /nfs/dbraw/zinc/61/47/97/531614797.db2.gz YSAPEEZVBGHWMO-UHFFFAOYSA-N 1 0 380.436 1.384 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000494699121 531618453 /nfs/dbraw/zinc/61/84/53/531618453.db2.gz MKTKZFZUVJEHDJ-LBPRGKRZSA-N 1 0 375.516 1.016 20 0 GDADRO CCCN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@H]1CC[NH2+]C1 ZINC000269169656 531619184 /nfs/dbraw/zinc/61/91/84/531619184.db2.gz HFSLPLXBISIRPG-QMMMGPOBSA-N 1 0 396.332 1.372 20 0 GDADRO O=C(NCC[NH2+]C1CC1)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000637348286 531621125 /nfs/dbraw/zinc/62/11/25/531621125.db2.gz RBNDOIIMPQWRGK-NSHDSACASA-N 1 0 388.281 1.790 20 0 GDADRO C[C@@H]1CN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC[C@@H]1[NH3+] ZINC000269204420 531623157 /nfs/dbraw/zinc/62/31/57/531623157.db2.gz LIVROFYSOFXHPE-YGRLFVJLSA-N 1 0 386.265 1.904 20 0 GDADRO CC(C)([NH3+])CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000269191753 531622492 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CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000269233863 531626601 /nfs/dbraw/zinc/62/66/01/531626601.db2.gz BCPMDPGLVNYNNV-HZPDHXFCSA-N 1 0 387.571 1.495 20 0 GDADRO C[NH+](C)CCCCNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000281551989 531630607 /nfs/dbraw/zinc/63/06/07/531630607.db2.gz KZKZCPDVEXOVKD-UHFFFAOYSA-N 1 0 378.292 1.168 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000637719147 531630909 /nfs/dbraw/zinc/63/09/09/531630909.db2.gz UWHPTUUDGJJMLW-ZIAGYGMSSA-N 1 0 381.274 1.384 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000497619700 531630880 /nfs/dbraw/zinc/63/08/80/531630880.db2.gz XZTRAXHGQUZQEY-ZDUSSCGKSA-N 1 0 380.919 1.257 20 0 GDADRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc(Br)cc1S(N)(=O)=O ZINC000269240495 531628330 /nfs/dbraw/zinc/62/83/30/531628330.db2.gz YCOQYFONEFBKBA-QPUJVOFHSA-N 1 0 390.303 1.214 20 0 GDADRO C[NH+]1CCC(CCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC1 ZINC000660842815 531633037 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C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)C1 ZINC000281653295 531642925 /nfs/dbraw/zinc/64/29/25/531642925.db2.gz RRZPDCWGDNPDOA-QWRGUYRKSA-N 1 0 381.274 1.853 20 0 GDADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000616702677 531644092 /nfs/dbraw/zinc/64/40/92/531644092.db2.gz BFZGUKHUUIRQOA-DLBZAZTESA-N 1 0 394.313 1.940 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)s1 ZINC000416493799 531646162 /nfs/dbraw/zinc/64/61/62/531646162.db2.gz GJAOZLTUCZDFEL-CQSZACIVSA-N 1 0 387.571 1.683 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000416494883 531647456 /nfs/dbraw/zinc/64/74/56/531647456.db2.gz JUJOGOWHGIVNIC-QWHCGFSZSA-N 1 0 376.906 1.984 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000269332955 531647736 /nfs/dbraw/zinc/64/77/36/531647736.db2.gz NDDHEGWLPJBYQO-LBPRGKRZSA-N 1 0 393.506 1.302 20 0 GDADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000637885205 531639446 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COCC[N@H+](C)CCNC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000588932558 531661360 /nfs/dbraw/zinc/66/13/60/531661360.db2.gz HWAXCDPKZIJDOA-UHFFFAOYSA-N 1 0 383.905 1.928 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)c1ccc(Cl)cc1 ZINC000560716750 531661876 /nfs/dbraw/zinc/66/18/76/531661876.db2.gz SKTTVLXFDHVHCU-HNNXBMFYSA-N 1 0 382.873 1.415 20 0 GDADRO CCN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000617560390 531663497 /nfs/dbraw/zinc/66/34/97/531663497.db2.gz ODWSXVDFJKPRTR-NSHDSACASA-N 1 0 394.324 1.824 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000661948277 531663601 /nfs/dbraw/zinc/66/36/01/531663601.db2.gz HHMJXMLTNDNRFT-LLVKDONJSA-N 1 0 394.950 1.463 20 0 GDADRO CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000281825581 531666447 /nfs/dbraw/zinc/66/64/47/531666447.db2.gz WBFNJUJVLRLXFI-HNNXBMFYSA-N 1 0 385.555 1.846 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(OCC(F)(F)F)nc3)C[C@H]21 ZINC000365699092 531672410 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1.865 20 0 GDADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)NS(C)(=O)=O ZINC000618174003 531675062 /nfs/dbraw/zinc/67/50/62/531675062.db2.gz JIWAJWYFTCQQLY-AWEZNQCLSA-N 1 0 389.949 1.948 20 0 GDADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CNS(=O)(=O)NC ZINC000618173849 531675318 /nfs/dbraw/zinc/67/53/18/531675318.db2.gz BVKUFMCSZGGVGO-UHFFFAOYSA-N 1 0 390.937 1.064 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638929111 531675913 /nfs/dbraw/zinc/67/59/13/531675913.db2.gz NSFUUISMLSGAFH-NHCYSSNCSA-N 1 0 379.404 1.320 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000561026464 531676484 /nfs/dbraw/zinc/67/64/84/531676484.db2.gz DJSMAJMYQMWAET-GFCCVEGCSA-N 1 0 398.305 1.802 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCO1 ZINC000662432696 531677146 /nfs/dbraw/zinc/67/71/46/531677146.db2.gz RWQDTUBNLAXTQR-PUPMMZHASA-N 1 0 384.274 1.496 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1 ZINC000662405704 531677943 /nfs/dbraw/zinc/67/79/43/531677943.db2.gz ZOQFKHIGBJPGNT-LBPRGKRZSA-N 1 0 393.285 1.327 20 0 GDADRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000639025667 531679380 /nfs/dbraw/zinc/67/93/80/531679380.db2.gz ZNWVRGFAUQJJGY-CYBMUJFWSA-N 1 0 379.507 1.581 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662513065 531681735 /nfs/dbraw/zinc/68/17/35/531681735.db2.gz XMDQOOCXYJFNDZ-CQSZACIVSA-N 1 0 379.404 1.095 20 0 GDADRO O=C(c1sc2c(c1Br)CNC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662516334 531682251 /nfs/dbraw/zinc/68/22/51/531682251.db2.gz FWEVRZVLSBHXCL-JTQLQIEISA-N 1 0 385.331 1.234 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000561190872 531682572 /nfs/dbraw/zinc/68/25/72/531682572.db2.gz HVEKTXOOPNLVRC-FVQHAEBGSA-N 1 0 393.329 1.931 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)NCc1cc(Br)cc2c1OCC2 ZINC000561188251 531682970 /nfs/dbraw/zinc/68/29/70/531682970.db2.gz QUSMCVGIKIFFKF-UHFFFAOYSA-N 1 0 383.290 1.088 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000561155402 531683544 /nfs/dbraw/zinc/68/35/44/531683544.db2.gz CKIFVJHBFHAHLT-BETUJISGSA-N 1 0 395.301 1.947 20 0 GDADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000281954816 531683793 /nfs/dbraw/zinc/68/37/93/531683793.db2.gz FUEVZEWNQUAOQZ-ZDUSSCGKSA-N 1 0 385.258 1.884 20 0 GDADRO NS(=O)(=O)c1ccc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)s1 ZINC000639191023 531685975 /nfs/dbraw/zinc/68/59/75/531685975.db2.gz AYUJHHLVCLGCQO-KRWDZBQOSA-N 1 0 384.498 1.962 20 0 GDADRO COc1cc(OC)c(OC)cc1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000269523414 531685969 /nfs/dbraw/zinc/68/59/69/531685969.db2.gz WLIPCQLKBIPFSQ-UHFFFAOYSA-N 1 0 386.495 1.842 20 0 GDADRO C[NH+](C)[C@H]1CN(c2ncnc3ccc(I)cc32)C[C@@H]1O ZINC000365824991 531687039 /nfs/dbraw/zinc/68/70/39/531687039.db2.gz ZNOHWKYAUCXSAQ-STQMWFEESA-N 1 0 384.221 1.346 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000503536993 531694957 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1 0 378.416 1.685 20 0 GDADRO CN(Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000639392833 531692347 /nfs/dbraw/zinc/69/23/47/531692347.db2.gz MGYUDUJBHLXCDC-AWEZNQCLSA-N 1 0 388.331 1.623 20 0 GDADRO C[C@]([NH3+])(C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1)c1ccc(Br)cc1 ZINC000662655660 531692578 /nfs/dbraw/zinc/69/25/78/531692578.db2.gz IPBSFLZWHYJXES-HYSWKAIVSA-N 1 0 380.286 1.750 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451876998 531701301 /nfs/dbraw/zinc/70/13/01/531701301.db2.gz GZLGTIVFRVIDQS-JOYOIKCWSA-N 1 0 393.278 1.921 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000662946082 531701570 /nfs/dbraw/zinc/70/15/70/531701570.db2.gz NISHGSQYFJGZNT-ZDUSSCGKSA-N 1 0 383.290 1.703 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662939968 531702598 /nfs/dbraw/zinc/70/25/98/531702598.db2.gz RVMCPVCNFCEAIX-UHFFFAOYSA-N 1 0 380.286 1.666 20 0 GDADRO C[C@]1(CO)C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000639852979 531705333 /nfs/dbraw/zinc/70/53/33/531705333.db2.gz WXAPNRPJLMEQSY-XHDPSFHLSA-N 1 0 375.238 1.734 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c(C(=O)OC)s1 ZINC000269678232 531709673 /nfs/dbraw/zinc/70/96/73/531709673.db2.gz ROXRUFCQKROOQK-VIFPVBQESA-N 1 0 390.483 1.082 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CC1=O ZINC000620242506 531727207 /nfs/dbraw/zinc/72/72/07/531727207.db2.gz UUPCJTVUMCZNAJ-BXUZGUMPSA-N 1 0 388.295 1.553 20 0 GDADRO C[C@]12C[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC000639952180 531712347 /nfs/dbraw/zinc/71/23/47/531712347.db2.gz RVYPWNBNKLDIDX-PZDALLCQSA-N 1 0 387.263 1.718 20 0 GDADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000561601658 531713045 /nfs/dbraw/zinc/71/30/45/531713045.db2.gz QGGMAIAJZPDBDE-SNVBAGLBSA-N 1 0 378.420 1.373 20 0 GDADRO C[C@]12C[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)C[C@]1(C)C(=O)NC2=O ZINC000639953216 531713500 /nfs/dbraw/zinc/71/35/00/531713500.db2.gz XNLJLFYVPKVVTN-YMRXKLBXSA-N 1 0 387.263 1.718 20 0 GDADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663488768 531714600 /nfs/dbraw/zinc/71/46/00/531714600.db2.gz IBMOHNIAYJLMHO-AWEZNQCLSA-N 1 0 394.269 1.003 20 0 GDADRO C[C@@]1(NC(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)CC[NH2+]C1 ZINC000663610124 531716256 /nfs/dbraw/zinc/71/62/56/531716256.db2.gz CABUEYAWWIHFAK-MRXNPFEDSA-N 1 0 392.257 1.442 20 0 GDADRO CC(C)[NH+](CCN(C)C(=O)CSc1nnnn1CC(F)(F)F)C(C)C ZINC000505374032 531718419 /nfs/dbraw/zinc/71/84/19/531718419.db2.gz YQUORVRVHIJALQ-UHFFFAOYSA-N 1 0 382.456 1.905 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncc(Br)cc1S(N)(=O)=O ZINC000664143166 531719545 /nfs/dbraw/zinc/71/95/45/531719545.db2.gz RXPVZHCRHXGRQR-JTQLQIEISA-N 1 0 377.308 1.776 20 0 GDADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc(Br)ccc3=O)C2)C1 ZINC000505635581 531722070 /nfs/dbraw/zinc/72/20/70/531722070.db2.gz OAURMVHNUQFUGZ-QGZVFWFLSA-N 1 0 382.302 1.945 20 0 GDADRO O=C(COc1cccc(I)c1)N[C@@H]1CC12CC[NH2+]CC2 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20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(Br)cc1-n1cncn1 ZINC000640321235 531743056 /nfs/dbraw/zinc/74/30/56/531743056.db2.gz CPZMQSRTNZGSGU-CYBMUJFWSA-N 1 0 394.273 1.216 20 0 GDADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000452002966 531744404 /nfs/dbraw/zinc/74/44/04/531744404.db2.gz FMTXCHZTLDXRSO-JTQLQIEISA-N 1 0 382.313 1.586 20 0 GDADRO Nc1nn2c(nc(C[N@@H+]3CC[C@H](c4cccc(Br)c4)C3)cc2=O)[nH]1 ZINC000621299873 531744927 /nfs/dbraw/zinc/74/49/27/531744927.db2.gz TUSCVBNRVUGFRD-NSHDSACASA-N 1 0 389.257 1.582 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC[C@@H]([NH3+])C(C)C)s1 ZINC000416916838 531745332 /nfs/dbraw/zinc/74/53/32/531745332.db2.gz OAENJVDMTVYCIP-CYBMUJFWSA-N 1 0 376.548 1.561 20 0 GDADRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000452012769 531746279 /nfs/dbraw/zinc/74/62/79/531746279.db2.gz IDQRSEKMJQTEMH-TZMCWYRMSA-N 1 0 375.878 1.473 20 0 GDADRO CN1CC[C@](O)(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000562313316 531746451 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C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CCCO1 ZINC000562428284 531755236 /nfs/dbraw/zinc/75/52/36/531755236.db2.gz LUNZDCHSJYDKBE-OWCLPIDISA-N 1 0 375.535 1.142 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366535653 531756262 /nfs/dbraw/zinc/75/62/62/531756262.db2.gz PRJZLGNOOYIEQB-GJZGRUSLSA-N 1 0 375.535 1.647 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NCCc1ccc(F)c(Br)c1 ZINC000417190003 531756538 /nfs/dbraw/zinc/75/65/38/531756538.db2.gz XPZFRKJXVAVGBQ-UHFFFAOYSA-N 1 0 387.297 1.725 20 0 GDADRO NS(=O)(=O)c1ccsc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000666225402 531756779 /nfs/dbraw/zinc/75/67/79/531756779.db2.gz CMDMHRPPUUHWJL-UHFFFAOYSA-N 1 0 379.507 1.574 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(c3ccc(I)cn3)C2)CC1 ZINC000297106205 531757807 /nfs/dbraw/zinc/75/78/07/531757807.db2.gz LMBWEZZITINRNK-CQSZACIVSA-N 1 0 386.281 1.902 20 0 GDADRO COC[C@@]1(CNC(=O)NCCOc2cccc(Br)c2)CCC[NH2+]1 ZINC000417205793 531758764 /nfs/dbraw/zinc/75/87/64/531758764.db2.gz IUQDFAMJWUJKNI-INIZCTEOSA-N 1 0 386.290 1.896 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417210501 531759086 /nfs/dbraw/zinc/75/90/86/531759086.db2.gz QWPFONMKFHXDQC-CQSZACIVSA-N 1 0 385.306 1.852 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCc1cc(Br)ccc1F)C2 ZINC000621839507 531759284 /nfs/dbraw/zinc/75/92/84/531759284.db2.gz UIBDJVCFKOWFQA-PXAZEXFGSA-N 1 0 398.276 1.587 20 0 GDADRO CO[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)[C@@H](C[NH3+])C1 ZINC000417214340 531760074 /nfs/dbraw/zinc/76/00/74/531760074.db2.gz GTMSKSHXZXZQNV-ZIAGYGMSSA-N 1 0 396.289 1.745 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)[C@@H](C)CO1 ZINC000452097683 531760777 /nfs/dbraw/zinc/76/07/77/531760777.db2.gz RKTIIEWKHNMMNJ-QWHCGFSZSA-N 1 0 387.468 1.689 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621843878 531761273 /nfs/dbraw/zinc/76/12/73/531761273.db2.gz MSDQFWMJDNPUHV-SJCJKPOMSA-N 1 0 396.285 1.414 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000452107097 531763044 /nfs/dbraw/zinc/76/30/44/531763044.db2.gz RLOWLYDZKZMPSU-CQSZACIVSA-N 1 0 389.543 1.040 20 0 GDADRO COc1ccc2c(c1)C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)CO2 ZINC000562564212 531764388 /nfs/dbraw/zinc/76/43/88/531764388.db2.gz FKQFLQGLLLBWDI-AWEZNQCLSA-N 1 0 382.507 1.937 20 0 GDADRO C[NH+](C)CCc1cn(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nn1 ZINC000640834593 531765386 /nfs/dbraw/zinc/76/53/86/531765386.db2.gz ZSFGKRVRFPJZRR-UHFFFAOYSA-N 1 0 385.877 1.078 20 0 GDADRO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCC1CC[NH2+]CC1 ZINC000297312209 531780290 /nfs/dbraw/zinc/78/02/90/531780290.db2.gz WFYIYUCMVZBVSF-UHFFFAOYSA-N 1 0 379.404 1.100 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)COc1cccc(I)c1 ZINC000592335529 531780923 /nfs/dbraw/zinc/78/09/23/531780923.db2.gz ZDNKNLOOACOUIG-JQWIXIFHSA-N 1 0 392.212 1.828 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC=C(Br)C1 ZINC000282651222 531781581 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NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000282559267 531770277 /nfs/dbraw/zinc/77/02/77/531770277.db2.gz ZYXZIKWBLRXNQK-ZDUSSCGKSA-N 1 0 384.267 1.711 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000667663975 531783160 /nfs/dbraw/zinc/78/31/60/531783160.db2.gz OQGQBNLTELOENW-LBPRGKRZSA-N 1 0 397.321 1.408 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417438785 531772053 /nfs/dbraw/zinc/77/20/53/531772053.db2.gz ROKQFFNRKRGCFP-AWEZNQCLSA-N 1 0 383.290 1.572 20 0 GDADRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000592199201 531772596 /nfs/dbraw/zinc/77/25/96/531772596.db2.gz SOTXBJFDVCZIGJ-SMDDNHRTSA-N 1 0 385.258 1.634 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000622133051 531772759 /nfs/dbraw/zinc/77/27/59/531772759.db2.gz OVJXMBDOWMZVBR-UHFFFAOYSA-N 1 0 385.306 1.696 20 0 GDADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452362560 531772871 /nfs/dbraw/zinc/77/28/71/531772871.db2.gz BSSFILFQKOGFRY-LLVKDONJSA-N 1 0 382.814 1.827 20 0 GDADRO C[NH2+]C(C)(C)c1cn(Cc2nnnn2-c2ccccc2Br)nn1 ZINC000641026687 531773066 /nfs/dbraw/zinc/77/30/66/531773066.db2.gz DIUVIAVFUPEFKG-UHFFFAOYSA-N 1 0 377.250 1.519 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417445389 531773178 /nfs/dbraw/zinc/77/31/78/531773178.db2.gz ZORMJLMKTUHPHO-DZGCQCFKSA-N 1 0 397.317 1.996 20 0 GDADRO O=C(c1n[nH]c2ccc(I)cc21)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592242928 531773287 /nfs/dbraw/zinc/77/32/87/531773287.db2.gz BGISIAYCQCTZKM-ZANVPECISA-N 1 0 396.232 1.992 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000297266180 531775018 /nfs/dbraw/zinc/77/50/18/531775018.db2.gz VHHRWJYWEWEIRX-UHFFFAOYSA-N 1 0 385.917 1.995 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417487693 531776489 /nfs/dbraw/zinc/77/64/89/531776489.db2.gz NXUFTQBMTINKPD-OAHLLOKOSA-N 1 0 397.317 1.962 20 0 GDADRO CCS(=O)(=O)NCCC[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000269831945 531776926 /nfs/dbraw/zinc/77/69/26/531776926.db2.gz AWMXWSVFZZBKFV-UHFFFAOYSA-N 1 0 392.543 1.120 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)COc2cccc(I)c2)CCO1 ZINC000592308420 531777355 /nfs/dbraw/zinc/77/73/55/531777355.db2.gz MFFHDNCHRJLZGY-GWCFXTLKSA-N 1 0 390.221 1.245 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366801478 531779988 /nfs/dbraw/zinc/77/99/88/531779988.db2.gz NVCHKQHZFZTKHM-KBPBESRZSA-N 1 0 382.258 1.285 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CCO1 ZINC000418086287 531801118 /nfs/dbraw/zinc/80/11/18/531801118.db2.gz ZSSKNIIEMAEXCX-AAEUAGOBSA-N 1 0 387.267 1.468 20 0 GDADRO [NH3+]CCN(CCO)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418085362 531801804 /nfs/dbraw/zinc/80/18/04/531801804.db2.gz XUVZFANAUUERHP-ZDUSSCGKSA-N 1 0 389.283 1.451 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000592387854 531784176 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COC(=O)[C@@H]1C[NH2+]CCCN1CCC(=O)Nc1cccc(Br)c1 ZINC000592487584 531790467 /nfs/dbraw/zinc/79/04/67/531790467.db2.gz DUZZIIKBSLVVGI-AWEZNQCLSA-N 1 0 384.274 1.615 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)s1 ZINC000417911510 531790469 /nfs/dbraw/zinc/79/04/69/531790469.db2.gz MDEFCFUAEWEFGZ-TZMCWYRMSA-N 1 0 388.559 1.331 20 0 GDADRO C[NH+](C)CC1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000511069062 531791224 /nfs/dbraw/zinc/79/12/24/531791224.db2.gz MKRQXRGWWHHZDD-UHFFFAOYSA-N 1 0 387.933 1.809 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c(Br)c1 ZINC000269874514 531792465 /nfs/dbraw/zinc/79/24/65/531792465.db2.gz GQEDPCJQCSRRHM-INIZCTEOSA-N 1 0 386.290 1.433 20 0 GDADRO CN(CCCn1ccnc1)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623020644 531793351 /nfs/dbraw/zinc/79/33/51/531793351.db2.gz QBHYUDDDCNVAIK-UHFFFAOYSA-N 1 0 390.245 1.784 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417979620 531794901 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Cc1cc(N2CC[C@H](NC(=O)N3CC[NH2+]CC3)C2=O)ccc1Br ZINC000418014835 531797171 /nfs/dbraw/zinc/79/71/71/531797171.db2.gz OYZJLMVCWVAUSK-AWEZNQCLSA-N 1 0 381.274 1.478 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N3CC[NH2+]CC3)C2=O)ccc1Br ZINC000418014836 531798061 /nfs/dbraw/zinc/79/80/61/531798061.db2.gz OYZJLMVCWVAUSK-CQSZACIVSA-N 1 0 381.274 1.478 20 0 GDADRO COCC(COC)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000641301787 531798742 /nfs/dbraw/zinc/79/87/42/531798742.db2.gz TWAZTJXCOSZMHC-UHFFFAOYSA-N 1 0 380.457 1.320 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CCO[C@@H](C[NH3+])C3)nc12 ZINC000418024012 531798970 /nfs/dbraw/zinc/79/89/70/531798970.db2.gz STPWQEKNXXVVHI-AWEZNQCLSA-N 1 0 396.289 1.317 20 0 GDADRO CCn1c(CNC(=O)N2CCO[C@H](C[NH3+])C2)nc2cc(Br)ccc21 ZINC000418065851 531800081 /nfs/dbraw/zinc/80/00/81/531800081.db2.gz MUAIWMBQEDNRNW-GFCCVEGCSA-N 1 0 396.289 1.688 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)CCOCC1 ZINC000563052218 531802420 /nfs/dbraw/zinc/80/24/20/531802420.db2.gz MCMKQJVBRQOBCK-UHFFFAOYSA-N 1 0 378.397 1.397 20 0 GDADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367060177 531804960 /nfs/dbraw/zinc/80/49/60/531804960.db2.gz OINHWDDOUMFJKF-TZMCWYRMSA-N 1 0 388.295 1.239 20 0 GDADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)S(=O)(=O)c1cnc(C)s1 ZINC000269923659 531805007 /nfs/dbraw/zinc/80/50/07/531805007.db2.gz BOOFNLPIHRQGHM-CQSZACIVSA-N 1 0 389.543 1.880 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418148698 531805158 /nfs/dbraw/zinc/80/51/58/531805158.db2.gz ADLVCJGACMXZNG-GHMZBOCLSA-N 1 0 392.884 1.136 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000297608487 531805831 /nfs/dbraw/zinc/80/58/31/531805831.db2.gz GFGXEGVKGOETCA-KBPBESRZSA-N 1 0 388.559 1.512 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000418157279 531806296 /nfs/dbraw/zinc/80/62/96/531806296.db2.gz MSIHEGVBASWZIA-CQSZACIVSA-N 1 0 383.290 1.477 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000269930985 531806475 /nfs/dbraw/zinc/80/64/75/531806475.db2.gz CSHNYDHHRRFKHR-GJZGRUSLSA-N 1 0 386.949 1.914 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000563109035 531807538 /nfs/dbraw/zinc/80/75/38/531807538.db2.gz SCJDCERIFSEBFZ-NSHDSACASA-N 1 0 377.304 1.714 20 0 GDADRO CCC[NH2+][C@H](C)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000563091576 531807587 /nfs/dbraw/zinc/80/75/87/531807587.db2.gz BEEQVBZUQQOGSH-GFCCVEGCSA-N 1 0 375.441 1.186 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000563124077 531808274 /nfs/dbraw/zinc/80/82/74/531808274.db2.gz FIPGQFNLTXCXAW-BDAKNGLRSA-N 1 0 378.292 1.812 20 0 GDADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000563119593 531808654 /nfs/dbraw/zinc/80/86/54/531808654.db2.gz SFSNADWQQCPXST-HOTGVXAUSA-N 1 0 385.917 1.568 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCCOc1ccc(I)cc1)C1CC1 ZINC000418162065 531809192 /nfs/dbraw/zinc/80/91/92/531809192.db2.gz UPFWLGVAWCBCKF-ZDUSSCGKSA-N 1 0 389.237 1.707 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418166395 531810981 /nfs/dbraw/zinc/81/09/81/531810981.db2.gz JCUDMJGBQBZXAJ-WDEREUQCSA-N 1 0 392.884 1.136 20 0 GDADRO C[C@@H]1C[NH+](C[C@@H](O)Cn2nnc(-c3ccc(Br)o3)n2)C[C@@H](C)O1 ZINC000453037926 531811182 /nfs/dbraw/zinc/81/11/82/531811182.db2.gz MYXVSOWGLIVIGL-GMTAPVOTSA-N 1 0 386.250 1.166 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000563138977 531811934 /nfs/dbraw/zinc/81/19/34/531811934.db2.gz ULWISRDDRKDSQR-AWEZNQCLSA-N 1 0 381.416 1.658 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418173155 531812083 /nfs/dbraw/zinc/81/20/83/531812083.db2.gz QEIWYMTZSZQPAH-UHFFFAOYSA-N 1 0 394.900 1.384 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453206614 531812473 /nfs/dbraw/zinc/81/24/73/531812473.db2.gz ICSUENBCJKQCRD-IRXDYDNUSA-N 1 0 389.949 1.852 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000623396014 531812901 /nfs/dbraw/zinc/81/29/01/531812901.db2.gz FVCROULEFJODHA-UONOGXRCSA-N 1 0 383.290 1.759 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000563145500 531813086 /nfs/dbraw/zinc/81/30/86/531813086.db2.gz XRLKSVUGPRMIBK-BDAKNGLRSA-N 1 0 376.682 1.961 20 0 GDADRO COc1ncc(Br)c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)n1 ZINC000641383777 531813870 /nfs/dbraw/zinc/81/38/70/531813870.db2.gz UMRYCSUWVAVATQ-QMMMGPOBSA-N 1 0 385.291 1.994 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418183755 531814083 /nfs/dbraw/zinc/81/40/83/531814083.db2.gz MARIDBOFUNCRKA-OCCSQVGLSA-N 1 0 388.921 1.353 20 0 GDADRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000418179937 531814093 /nfs/dbraw/zinc/81/40/93/531814093.db2.gz YCKJDYQYVMTASN-GWCFXTLKSA-N 1 0 392.884 1.136 20 0 GDADRO C[C@]1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCC[NH2+]C1 ZINC000563159796 531814385 /nfs/dbraw/zinc/81/43/85/531814385.db2.gz QKZTXPOMVMEDKG-HNNXBMFYSA-N 1 0 394.324 1.778 20 0 GDADRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000418179939 531814493 /nfs/dbraw/zinc/81/44/93/531814493.db2.gz YCKJDYQYVMTASN-MFKMUULPSA-N 1 0 392.884 1.136 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)C1 ZINC000453380786 531815131 /nfs/dbraw/zinc/81/51/31/531815131.db2.gz RGZQDJOOLUJSAX-SMDDNHRTSA-N 1 0 394.306 1.906 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000418194036 531815370 /nfs/dbraw/zinc/81/53/70/531815370.db2.gz DLJBZRNXUNWKSU-ZIAGYGMSSA-N 1 0 388.559 1.574 20 0 GDADRO O=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000669583990 531815382 /nfs/dbraw/zinc/81/53/82/531815382.db2.gz GBUUGZLOFVBOGI-ZIAGYGMSSA-N 1 0 386.543 1.200 20 0 GDADRO CC[C@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(=O)NC ZINC000453407368 531815663 /nfs/dbraw/zinc/81/56/63/531815663.db2.gz PPLBPYRXCZEXNA-KWQFWETISA-N 1 0 378.292 1.272 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000297728342 531816202 /nfs/dbraw/zinc/81/62/02/531816202.db2.gz GQVZBEIBISVXGP-MRXNPFEDSA-N 1 0 384.274 1.555 20 0 GDADRO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)NC[C@@H]1CCCC[NH2+]1 ZINC000669578898 531816609 /nfs/dbraw/zinc/81/66/09/531816609.db2.gz IPBZNYVFLWFKLN-ZDUSSCGKSA-N 1 0 388.921 1.450 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000453598209 531816989 /nfs/dbraw/zinc/81/69/89/531816989.db2.gz LODXLRIRCQGDPZ-NSHDSACASA-N 1 0 383.290 1.939 20 0 GDADRO Cn1cc(I)c(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)n1 ZINC000418268666 531817311 /nfs/dbraw/zinc/81/73/11/531817311.db2.gz XPCRDPTVWKKQDZ-JTQLQIEISA-N 1 0 389.241 1.061 20 0 GDADRO CC(C)N1CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000367219755 531822320 /nfs/dbraw/zinc/82/23/20/531822320.db2.gz YGEQXNHAZYOBAS-IAGOWNOFSA-N 1 0 375.485 1.970 20 0 GDADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000563257378 531823231 /nfs/dbraw/zinc/82/32/31/531823231.db2.gz KSIRROUGKLMLJA-JSGCOSHPSA-N 1 0 375.922 1.381 20 0 GDADRO O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)NC[C@@H]1CCC[NH2+]1 ZINC000418381783 531823442 /nfs/dbraw/zinc/82/34/42/531823442.db2.gz XYNRMLPNTLVZCU-DOMZBBRYSA-N 1 0 388.281 1.790 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000418403736 531824386 /nfs/dbraw/zinc/82/43/86/531824386.db2.gz JSZUZGGAHMSJIO-OAHLLOKOSA-N 1 0 388.921 1.339 20 0 GDADRO CC(C)([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000418421832 531825212 /nfs/dbraw/zinc/82/52/12/531825212.db2.gz CZBZCSHQDRWECL-UHFFFAOYSA-N 1 0 392.884 1.232 20 0 GDADRO Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000623914282 531828272 /nfs/dbraw/zinc/82/82/72/531828272.db2.gz SPDIDTXJZPYOJY-OAHLLOKOSA-N 1 0 385.486 1.876 20 0 GDADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCn2c(Br)cnc2C1 ZINC000283100953 531828656 /nfs/dbraw/zinc/82/86/56/531828656.db2.gz URDOQBPRVOCBFP-HNNXBMFYSA-N 1 0 385.306 1.781 20 0 GDADRO COc1ncc(Br)c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000641468310 531828738 /nfs/dbraw/zinc/82/87/38/531828738.db2.gz PDUHLOPUPHHURY-JSGCOSHPSA-N 1 0 384.322 1.710 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000367210314 531820336 /nfs/dbraw/zinc/82/03/36/531820336.db2.gz CAVPZDORJSUXDW-KBPBESRZSA-N 1 0 384.274 1.529 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418284741 531820795 /nfs/dbraw/zinc/82/07/95/531820795.db2.gz CSXOMILQYSMEMQ-UHFFFAOYSA-N 1 0 375.336 1.947 20 0 GDADRO Cc1ccsc1[C@H](CO)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418619960 531833024 /nfs/dbraw/zinc/83/30/24/531833024.db2.gz QAFMKFNRZNRXNN-RYUDHWBXSA-N 1 0 380.436 1.225 20 0 GDADRO COC[C@]1(CNC(=O)N[C@@H](CO)c2cccc(Br)c2)CCC[NH2+]1 ZINC000418657458 531833587 /nfs/dbraw/zinc/83/35/87/531833587.db2.gz RGMFDTINBYEWBC-GOEBONIOSA-N 1 0 386.290 1.550 20 0 GDADRO O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418672374 531833721 /nfs/dbraw/zinc/83/37/21/531833721.db2.gz NHJWCDIRZDPCFO-RABLLNBGSA-N 1 0 386.265 1.256 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418728189 531835964 /nfs/dbraw/zinc/83/59/64/531835964.db2.gz PXUUWELTAAWPDA-UWVGGRQHSA-N 1 0 391.335 1.894 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)NCC(=O)Nc1cccc(Br)c1)C(F)F ZINC000418746658 531836978 /nfs/dbraw/zinc/83/69/78/531836978.db2.gz XXQJEWOABPUASV-SNVBAGLBSA-N 1 0 379.205 1.669 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000624367357 531839313 /nfs/dbraw/zinc/83/93/13/531839313.db2.gz SEJJBWKKVQQHFC-RYUDHWBXSA-N 1 0 380.436 1.839 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418778316 531839333 /nfs/dbraw/zinc/83/93/33/531839333.db2.gz ZMIOYDMTJOKASP-MRXNPFEDSA-N 1 0 397.317 1.265 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000418779992 531839657 /nfs/dbraw/zinc/83/96/57/531839657.db2.gz KFNMRXGNSLFCOJ-MNOVXSKESA-N 1 0 384.274 1.270 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)N[C@H](C)CC[NH3+] ZINC000418522025 531830510 /nfs/dbraw/zinc/83/05/10/531830510.db2.gz IXTPPVDSEOOMIS-NEPJUHHUSA-N 1 0 388.306 1.645 20 0 GDADRO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418607188 531831205 /nfs/dbraw/zinc/83/12/05/531831205.db2.gz CMUADOXCJRIORI-MXWKQRLJSA-N 1 0 376.345 1.805 20 0 GDADRO NC(=O)[C@H]1CCCN1CCCNS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000270140376 531831691 /nfs/dbraw/zinc/83/16/91/531831691.db2.gz FZRHGLKJPBBWAA-CQSZACIVSA-N 1 0 377.869 1.238 20 0 GDADRO CN1CCc2c(cccc2S(=O)(=O)NCC2(CS(C)(=O)=O)CCC2)C1 ZINC000641536431 531832352 /nfs/dbraw/zinc/83/23/52/531832352.db2.gz DZXCENOAHKMDRG-UHFFFAOYSA-N 1 0 386.539 1.168 20 0 GDADRO CCOc1cc(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc(Br)c1O ZINC000298093192 531850417 /nfs/dbraw/zinc/85/04/17/531850417.db2.gz MTZXGDLQWUPCHS-MRXNPFEDSA-N 1 0 398.257 1.727 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC[C@H]1[NH3+] ZINC000418839518 531850528 /nfs/dbraw/zinc/85/05/28/531850528.db2.gz ZHMIPLQNSBEGRA-OBCWZRDOSA-N 1 0 380.286 1.617 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418836890 531850579 /nfs/dbraw/zinc/85/05/79/531850579.db2.gz RVWKOKDWIZQYRS-BSLXNSKLSA-N 1 0 380.286 1.535 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2c[nH]c3ccc(Br)cc23)CC[NH2+]1 ZINC000418839582 531850936 /nfs/dbraw/zinc/85/09/36/531850936.db2.gz CWDIRFGNYVOJBO-LLVKDONJSA-N 1 0 393.285 1.409 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418841378 531851590 /nfs/dbraw/zinc/85/15/90/531851590.db2.gz DTGGHSSRMWOKEI-LBPRGKRZSA-N 1 0 386.265 1.587 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H](C)Cc2cccc(Br)c2)C1 ZINC000418848476 531852685 /nfs/dbraw/zinc/85/26/85/531852685.db2.gz YXAHDVDDCQWRRM-TZMCWYRMSA-N 1 0 382.302 1.564 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Br)n1 ZINC000367670775 531853030 /nfs/dbraw/zinc/85/30/30/531853030.db2.gz HEDQKNMZMTWFRH-VXGBXAGGSA-N 1 0 397.273 1.070 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2Br)CC1 ZINC000298118250 531853431 /nfs/dbraw/zinc/85/34/31/531853431.db2.gz PGWYYGTVNBIHMT-UHFFFAOYSA-N 1 0 382.302 1.962 20 0 GDADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624386343 531841052 /nfs/dbraw/zinc/84/10/52/531841052.db2.gz HADQLCKQPAEPRV-UHFFFAOYSA-N 1 0 377.304 1.852 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc3nsnc32)CC[C@@H]1C(F)(F)F ZINC000624389926 531841100 /nfs/dbraw/zinc/84/11/00/531841100.db2.gz PMVUXBWAKDKHAH-IUCAKERBSA-N 1 0 380.417 1.839 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1OC ZINC000624389968 531841135 /nfs/dbraw/zinc/84/11/35/531841135.db2.gz QTAIMWHUPFBFQE-PWSUYJOCSA-N 1 0 382.404 1.852 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000624396951 531842647 /nfs/dbraw/zinc/84/26/47/531842647.db2.gz KAHDKQHWQUSFQO-UHFFFAOYSA-N 1 0 393.303 1.241 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418807763 531842765 /nfs/dbraw/zinc/84/27/65/531842765.db2.gz KEFDLJDVCFFTHD-GLKRBJQHSA-N 1 0 398.326 1.695 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NCCOCCC[NH3+])cc1Br ZINC000624408473 531844093 /nfs/dbraw/zinc/84/40/93/531844093.db2.gz VGQHJCXMVBOBIF-UHFFFAOYSA-N 1 0 397.291 1.110 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1F ZINC000624406345 531844290 /nfs/dbraw/zinc/84/42/90/531844290.db2.gz ZZEULQPCTXLQAZ-WDEREUQCSA-N 1 0 379.479 1.006 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000418811925 531844552 /nfs/dbraw/zinc/84/45/52/531844552.db2.gz QQXALCSESQPNOR-COPLHBTASA-N 1 0 384.249 1.510 20 0 GDADRO Cn1cc(Br)c2ccc(S(=O)(=O)NCCOCCC[NH3+])cc21 ZINC000624409199 531844674 /nfs/dbraw/zinc/84/46/74/531844674.db2.gz VYJHJDSJDZVJPX-UHFFFAOYSA-N 1 0 390.303 1.585 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Br)s3)C[C@H]12 ZINC000418813839 531844809 /nfs/dbraw/zinc/84/48/09/531844809.db2.gz UDRFGJWMDPHNKI-RMPHRYRLSA-N 1 0 398.326 1.678 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3cc(Br)ccc3F)CCN2C1=O ZINC000563457558 531844918 /nfs/dbraw/zinc/84/49/18/531844918.db2.gz LVRZQXJVPLZJHV-DGCLKSJQSA-N 1 0 385.237 1.042 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563452331 531845191 /nfs/dbraw/zinc/84/51/91/531845191.db2.gz VTINZUSKLSDXRO-KBPBESRZSA-N 1 0 381.274 1.211 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000563443420 531845392 /nfs/dbraw/zinc/84/53/92/531845392.db2.gz WSFOLJQLNASCKG-CHWSQXEVSA-N 1 0 378.281 1.067 20 0 GDADRO CO[C@H](CS(=O)(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C)C1CCOCC1 ZINC000641626097 531845507 /nfs/dbraw/zinc/84/55/07/531845507.db2.gz YSKGKXUMCDZHAU-KBAYOESNSA-N 1 0 376.563 1.810 20 0 GDADRO COC1(CS(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)CCOCC1 ZINC000593584392 531846270 /nfs/dbraw/zinc/84/62/70/531846270.db2.gz MZQDEJQVYYVXRZ-LSDHHAIUSA-N 1 0 378.560 1.023 20 0 GDADRO C[C@@H]1SCCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@H]1C ZINC000671149767 531847171 /nfs/dbraw/zinc/84/71/71/531847171.db2.gz UMLDFRVTEXMPDR-GJZGRUSLSA-N 1 0 385.599 1.817 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418826646 531847501 /nfs/dbraw/zinc/84/75/01/531847501.db2.gz BMXLMECBUUJEDJ-NXEZZACHSA-N 1 0 392.258 1.886 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418825360 531847973 /nfs/dbraw/zinc/84/79/73/531847973.db2.gz KAAAVGPSVYWPAD-CORIIIEPSA-N 1 0 380.286 1.761 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@@H]12 ZINC000418824879 531848198 /nfs/dbraw/zinc/84/81/98/531848198.db2.gz DIRKFLHQZGXDSQ-RBRCJPGISA-N 1 0 392.297 1.617 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642979561 531865952 /nfs/dbraw/zinc/86/59/52/531865952.db2.gz BHFCILSQSCGFQN-CQSZACIVSA-N 1 0 398.301 1.545 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000643014530 531866583 /nfs/dbraw/zinc/86/65/83/531866583.db2.gz AXHWNTJLIUMQAN-XJFOESAGSA-N 1 0 380.539 1.264 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418938657 531868062 /nfs/dbraw/zinc/86/80/62/531868062.db2.gz HCVWLHLGONSWLH-UKRRQHHQSA-N 1 0 380.286 1.763 20 0 GDADRO O=C(NCC1(c2ccc(Br)cc2)CCC1)C(=O)N1CCC[NH2+]CC1 ZINC000418942617 531868802 /nfs/dbraw/zinc/86/88/02/531868802.db2.gz XQGFSZYNAQIBPA-UHFFFAOYSA-N 1 0 394.313 1.809 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCOc2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC000418944592 531868900 /nfs/dbraw/zinc/86/89/00/531868900.db2.gz IUJOYSHIKAHZPY-RYUDHWBXSA-N 1 0 384.274 1.153 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563606180 531855740 /nfs/dbraw/zinc/85/57/40/531855740.db2.gz ASHPQYXHTPBXMJ-SGMGOOAPSA-N 1 0 383.290 1.298 20 0 GDADRO Cc1nc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)sc1Br ZINC000563603579 531855745 /nfs/dbraw/zinc/85/57/45/531855745.db2.gz UAZDLRZVPYELAN-UHFFFAOYSA-N 1 0 392.367 1.849 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCCc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000642279113 531856313 /nfs/dbraw/zinc/85/63/13/531856313.db2.gz HGMXAVYYQKCLHR-UKRRQHHQSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418943112 531869104 /nfs/dbraw/zinc/86/91/04/531869104.db2.gz MGQSQAVTRHPNST-JRPNMDOOSA-N 1 0 380.286 1.748 20 0 GDADRO O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642408099 531859610 /nfs/dbraw/zinc/85/96/10/531859610.db2.gz WCSJEIIGDGJREH-GWCFXTLKSA-N 1 0 378.885 1.776 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418883452 531859866 /nfs/dbraw/zinc/85/98/66/531859866.db2.gz LRCTVGHOSNATPR-PRHODGIISA-N 1 0 388.237 1.252 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000642700459 531861469 /nfs/dbraw/zinc/86/14/69/531861469.db2.gz LBSKXXJYOJKDFS-DGCLKSJQSA-N 1 0 398.326 1.970 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000418920821 531862778 /nfs/dbraw/zinc/86/27/78/531862778.db2.gz CEBWUQZMMDRUMV-LLVKDONJSA-N 1 0 386.265 1.662 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418924036 531863594 /nfs/dbraw/zinc/86/35/94/531863594.db2.gz OHPZIPJYWAFYBG-CYBMUJFWSA-N 1 0 386.265 1.505 20 0 GDADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000642971021 531865199 /nfs/dbraw/zinc/86/51/99/531865199.db2.gz PUARHVKTKPVAGZ-SNVBAGLBSA-N 1 0 379.404 1.318 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418946480 531871024 /nfs/dbraw/zinc/87/10/24/531871024.db2.gz RMPJLWZIGKEXMT-CQDKDKBSSA-N 1 0 380.286 1.796 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000418949156 531871088 /nfs/dbraw/zinc/87/10/88/531871088.db2.gz RHCWUSWETPYHTQ-FZMZJTMJSA-N 1 0 386.265 1.838 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000298274095 531871444 /nfs/dbraw/zinc/87/14/44/531871444.db2.gz IPFWOQUNIVDCJN-HUUCEWRRSA-N 1 0 376.906 1.483 20 0 GDADRO CSCC[C@@H]1NC(=S)N(Cc2ccc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000298297449 531872587 /nfs/dbraw/zinc/87/25/87/531872587.db2.gz IICDUZJRNBDQBX-AWEZNQCLSA-N 1 0 379.555 1.172 20 0 GDADRO COC[C@@H](CCO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000564975624 531873559 /nfs/dbraw/zinc/87/35/59/531873559.db2.gz NUHFXLCNCUHYMW-NEPJUHHUSA-N 1 0 382.682 1.829 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)CC[C@@H]1[NH3+] ZINC000418975677 531874491 /nfs/dbraw/zinc/87/44/91/531874491.db2.gz REUFVSFHHKEOJP-KOLCDFICSA-N 1 0 394.273 1.137 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000565660308 531875362 /nfs/dbraw/zinc/87/53/62/531875362.db2.gz YLGIMYZMARYRHD-RYUDHWBXSA-N 1 0 388.511 1.554 20 0 GDADRO CCCN(C(=O)C(=O)NCCc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000418987597 531876078 /nfs/dbraw/zinc/87/60/78/531876078.db2.gz HSBPAXLHVWHMHM-HNNXBMFYSA-N 1 0 382.302 1.708 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418990224 531876120 /nfs/dbraw/zinc/87/61/20/531876120.db2.gz LAYYZILWIVKKCV-KGLIPLIRSA-N 1 0 380.286 1.176 20 0 GDADRO CC(C)OCC[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000566064431 531877315 /nfs/dbraw/zinc/87/73/15/531877315.db2.gz WTAQEXMTBWXNBO-ZDUSSCGKSA-N 1 0 382.885 1.523 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000419008586 531878909 /nfs/dbraw/zinc/87/89/09/531878909.db2.gz LRJZIJWYXKCSKA-WCFLWFBJSA-N 1 0 396.285 1.313 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000419012262 531879870 /nfs/dbraw/zinc/87/98/70/531879870.db2.gz VOMPPUZPYZYRIU-GVXVVHGQSA-N 1 0 398.301 1.892 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@H]1[NH+](C)C ZINC000270495713 531880013 /nfs/dbraw/zinc/88/00/13/531880013.db2.gz OZTXDACFHJDXST-HUUCEWRRSA-N 1 0 382.917 1.987 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000283626803 531880741 /nfs/dbraw/zinc/88/07/41/531880741.db2.gz BAYFNNLEZJYJLP-ZDUSSCGKSA-N 1 0 399.333 1.737 20 0 GDADRO O=C(NCCC[NH2+]C[C@H](O)Cn1cccn1)c1ccc(Br)cc1 ZINC000566109759 531881008 /nfs/dbraw/zinc/88/10/08/531881008.db2.gz TXZQTJUPEMYOFU-HNNXBMFYSA-N 1 0 381.274 1.416 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000673611128 531881558 /nfs/dbraw/zinc/88/15/58/531881558.db2.gz HGJXONLUXYHHNY-CYBMUJFWSA-N 1 0 381.420 1.946 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)[NH+](C)C ZINC000298365433 531881643 /nfs/dbraw/zinc/88/16/43/531881643.db2.gz SBIIXALFBGMKPL-NXEZZACHSA-N 1 0 382.258 1.500 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)CCc2ccc(Br)cc2)C1 ZINC000419016870 531881826 /nfs/dbraw/zinc/88/18/26/531881826.db2.gz FNXUKDIIPIFYKC-DOMZBBRYSA-N 1 0 382.302 1.707 20 0 GDADRO [NH3+]CC[C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000566250763 531882117 /nfs/dbraw/zinc/88/21/17/531882117.db2.gz LQRVIMWNHMGDDR-GFCCVEGCSA-N 1 0 375.441 1.363 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000566238943 531882404 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20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000419050961 531891284 /nfs/dbraw/zinc/89/12/84/531891284.db2.gz FEZUMPSOEWIKBQ-KGLIPLIRSA-N 1 0 382.302 1.836 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC[N@@H+](C2CCC2)C1 ZINC000566687679 531891585 /nfs/dbraw/zinc/89/15/85/531891585.db2.gz NWBKGJVOAPPNLN-GFCCVEGCSA-N 1 0 385.917 1.934 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419052671 531892788 /nfs/dbraw/zinc/89/27/88/531892788.db2.gz IBROUDWGFQVUNG-ACJLOTCBSA-N 1 0 394.313 1.708 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[C@@H]1[NH3+] ZINC000647007366 531892835 /nfs/dbraw/zinc/89/28/35/531892835.db2.gz AHFBRSQHBRASAR-SKDRFNHKSA-N 1 0 382.258 1.979 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000298488695 531893006 /nfs/dbraw/zinc/89/30/06/531893006.db2.gz LTFNHYFHTLWMAR-UHFFFAOYSA-N 1 0 375.878 1.288 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000283778694 531893329 /nfs/dbraw/zinc/89/33/29/531893329.db2.gz PXRDZHKYGYSEBR-GFCCVEGCSA-N 1 0 380.286 1.666 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)CCO1 ZINC000647877116 531899607 /nfs/dbraw/zinc/89/96/07/531899607.db2.gz IUPGNDJMOAZZPJ-ZUZCIYMTSA-N 1 0 385.258 1.337 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC000647272376 531894124 /nfs/dbraw/zinc/89/41/24/531894124.db2.gz NBCZSAZARUXFPL-PHIMTYICSA-N 1 0 379.276 1.242 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000419054720 531894173 /nfs/dbraw/zinc/89/41/73/531894173.db2.gz MSTGSZYXWLKRBI-NSHDSACASA-N 1 0 388.281 1.703 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419055590 531894274 /nfs/dbraw/zinc/89/42/74/531894274.db2.gz ONYYUIVNOZTWRF-OTYXRUKQSA-N 1 0 386.265 1.489 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419055218 531894292 /nfs/dbraw/zinc/89/42/92/531894292.db2.gz NTCKNONUIWSZBK-ZYHUDNBSSA-N 1 0 386.265 1.504 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000647269962 531894383 /nfs/dbraw/zinc/89/43/83/531894383.db2.gz HHQUCPVZBFKZOU-CYBMUJFWSA-N 1 0 389.905 1.357 20 0 GDADRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000647271749 531894710 /nfs/dbraw/zinc/89/47/10/531894710.db2.gz HCIVMJIKQZNWTI-OCAPTIKFSA-N 1 0 384.093 1.980 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419057102 531894828 /nfs/dbraw/zinc/89/48/28/531894828.db2.gz SZLGGYUEYFFHGF-SJCJKPOMSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419057306 531895226 /nfs/dbraw/zinc/89/52/26/531895226.db2.gz UHKWBZUSADVXLK-GUTXKFCHSA-N 1 0 396.329 1.940 20 0 GDADRO O=C(NCC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000647707697 531895720 /nfs/dbraw/zinc/89/57/20/531895720.db2.gz BSRXTFOKMLQYDZ-QWHCGFSZSA-N 1 0 386.279 1.391 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000647710193 531896040 /nfs/dbraw/zinc/89/60/40/531896040.db2.gz SJPLXRMKTZKADE-AWEZNQCLSA-N 1 0 383.901 1.957 20 0 GDADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647709652 531896071 /nfs/dbraw/zinc/89/60/71/531896071.db2.gz ZWAIKXIBJHRNGE-NEPJUHHUSA-N 1 0 383.242 1.459 20 0 GDADRO C[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000298517302 531897440 /nfs/dbraw/zinc/89/74/40/531897440.db2.gz ZBNVGIDLVYYVIO-ZIAGYGMSSA-N 1 0 387.571 1.690 20 0 GDADRO CSC[C@@H](O)C[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000567581868 531898572 /nfs/dbraw/zinc/89/85/72/531898572.db2.gz TYLJYWKZADWHIE-HNNXBMFYSA-N 1 0 376.519 1.682 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000419082264 531898852 /nfs/dbraw/zinc/89/88/52/531898852.db2.gz UKGLIQYTESASAZ-WFASDCNBSA-N 1 0 394.313 1.854 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000368004203 531884632 /nfs/dbraw/zinc/88/46/32/531884632.db2.gz BQRDOFLDVRKYKQ-ZIAGYGMSSA-N 1 0 385.258 1.630 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419036426 531885702 /nfs/dbraw/zinc/88/57/02/531885702.db2.gz GVQJAQDWIPWIRN-QMTHXVAHSA-N 1 0 386.265 1.933 20 0 GDADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566496017 531889034 /nfs/dbraw/zinc/88/90/34/531889034.db2.gz NQOLUIMAJVHQRJ-VHRBIJSZSA-N 1 0 398.326 1.700 20 0 GDADRO Cc1c(Br)ccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1F ZINC000566504450 531889117 /nfs/dbraw/zinc/88/91/17/531889117.db2.gz JFHAXYCGRCCVPT-GXSJLCMTSA-N 1 0 385.237 1.672 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000419045695 531889864 /nfs/dbraw/zinc/88/98/64/531889864.db2.gz WYBIVFSNSZXPGS-UHFFFAOYSA-N 1 0 380.901 1.848 20 0 GDADRO O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCC(=O)N1CC[NH2+]CC1 ZINC000567973565 531905098 /nfs/dbraw/zinc/90/50/98/531905098.db2.gz OUCYQKIJZKHRQU-UHFFFAOYSA-N 1 0 378.885 1.554 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419152387 531905481 /nfs/dbraw/zinc/90/54/81/531905481.db2.gz NMOAITOKLRJCCV-GFCCVEGCSA-N 1 0 398.301 1.327 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)s1)C[NH+]1CCN(C)CC1 ZINC000283870337 531905569 /nfs/dbraw/zinc/90/55/69/531905569.db2.gz NFUQGJGYUPTTHQ-ZDUSSCGKSA-N 1 0 386.949 1.360 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)c1ccc(Br)cc1 ZINC000419152501 531905831 /nfs/dbraw/zinc/90/58/31/531905831.db2.gz OHFYKCSBDGLCAN-MISXGVKJSA-N 1 0 398.301 1.856 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)NCCCc1ccc(Br)cc1OC ZINC000419160382 531906279 /nfs/dbraw/zinc/90/62/79/531906279.db2.gz ZAZWAPQZDXIUSV-UHFFFAOYSA-N 1 0 386.290 1.184 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2cc(Br)ccc2C)[C@@H](C[NH3+])C1 ZINC000419167995 531909109 /nfs/dbraw/zinc/90/91/09/531909109.db2.gz RFRPEHJWHXJGLX-CABCVRRESA-N 1 0 398.301 1.338 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)c1Br ZINC000419171775 531909279 /nfs/dbraw/zinc/90/92/79/531909279.db2.gz YEIMPRPBDWJXMS-QGZVFWFLSA-N 1 0 382.302 1.880 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419185543 531910115 /nfs/dbraw/zinc/91/01/15/531910115.db2.gz DRAFUKJEKGUJGR-GFCCVEGCSA-N 1 0 382.302 1.841 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419184181 531910353 /nfs/dbraw/zinc/91/03/53/531910353.db2.gz JKNPFPOPJFTUNY-TZMCWYRMSA-N 1 0 397.317 1.258 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCC1 ZINC000419185820 531910761 /nfs/dbraw/zinc/91/07/61/531910761.db2.gz LOBOSTZFURVAEL-CYBMUJFWSA-N 1 0 395.301 1.142 20 0 GDADRO CNC(=O)NCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456367088 531910826 /nfs/dbraw/zinc/91/08/26/531910826.db2.gz JGTAPPORRNSTIA-NSHDSACASA-N 1 0 398.305 1.457 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)C[C@H]1[NH3+] ZINC000419192008 531911766 /nfs/dbraw/zinc/91/17/66/531911766.db2.gz SNXXKSOQGOXTKJ-BXUZGUMPSA-N 1 0 382.302 1.649 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]Cc2cn3cccnc3n2)CC1)C(F)(F)F ZINC000298560758 531900229 /nfs/dbraw/zinc/90/02/29/531900229.db2.gz VXDKYWCKFMJCGP-UHFFFAOYSA-N 1 0 377.392 1.381 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)s1 ZINC000674650954 531900700 /nfs/dbraw/zinc/90/07/00/531900700.db2.gz JNNQMHSNVQGUPS-LLVKDONJSA-N 1 0 380.495 1.985 20 0 GDADRO O=C(NCCc1ccc(Br)s1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419116766 531901530 /nfs/dbraw/zinc/90/15/30/531901530.db2.gz OZMBCGDVSPCKDZ-PHIMTYICSA-N 1 0 386.315 1.522 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3nnnn3-c3ccccc3Br)C[C@@H]21 ZINC000647907724 531902118 /nfs/dbraw/zinc/90/21/18/531902118.db2.gz LBCDLTZBWREIOX-SGMGOOAPSA-N 1 0 377.290 1.984 20 0 GDADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419125206 531902323 /nfs/dbraw/zinc/90/23/23/531902323.db2.gz JOIJXZJVNJUBIX-OAHLLOKOSA-N 1 0 381.885 1.387 20 0 GDADRO CS[C@@H]1CN(CC(=O)Nc2ccccc2SCC(N)=O)C[C@H]1[NH+](C)C ZINC000270634614 531903787 /nfs/dbraw/zinc/90/37/87/531903787.db2.gz HSRAJQQDGTZHHE-UKRRQHHQSA-N 1 0 382.555 1.180 20 0 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GDADRO O=C(NC1CC[NH2+]CC1)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000419845096 531977076 /nfs/dbraw/zinc/97/70/76/531977076.db2.gz DJFYJGOOVAAAGA-UHFFFAOYSA-N 1 0 386.315 1.870 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419840204 531977152 /nfs/dbraw/zinc/97/71/52/531977152.db2.gz CONDWNQFXZESSN-UHFFFAOYSA-N 1 0 386.265 1.805 20 0 GDADRO CN(Cc1cc(Br)ccc1Cl)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419854340 531978354 /nfs/dbraw/zinc/97/83/54/531978354.db2.gz VFNJPAITLHFBDO-UHFFFAOYSA-N 1 0 388.693 1.929 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000419979936 531992495 /nfs/dbraw/zinc/99/24/95/531992495.db2.gz QFCKUGWUNMKJJH-JTQLQIEISA-N 1 0 386.265 1.445 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(I)cc1)C2 ZINC000598720571 531993077 /nfs/dbraw/zinc/99/30/77/531993077.db2.gz PBGPLFKVYAVJJS-ZWNOBZJWSA-N 1 0 392.262 1.793 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000630729072 531993328 /nfs/dbraw/zinc/99/33/28/531993328.db2.gz FQFITQXKRHRQMW-UHFFFAOYSA-N 1 0 394.317 1.854 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419862688 531979154 /nfs/dbraw/zinc/97/91/54/531979154.db2.gz NCRFMVJBXZKSHT-CQSZACIVSA-N 1 0 386.265 1.790 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCc1cccc(Cl)c1Cl ZINC000419858432 531979451 /nfs/dbraw/zinc/97/94/51/531979451.db2.gz WMWLGMQFWWRNFP-UHFFFAOYSA-N 1 0 387.311 1.064 20 0 GDADRO CN(C(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000419854744 531979858 /nfs/dbraw/zinc/97/98/58/531979858.db2.gz VWQICPCPJIVLFT-CQSZACIVSA-N 1 0 396.285 1.599 20 0 GDADRO CC1(C)CN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC[NH2+]1 ZINC000370034612 531979977 /nfs/dbraw/zinc/97/99/77/531979977.db2.gz BBDSCFWCNOSOBH-UHFFFAOYSA-N 1 0 396.285 1.775 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000419878518 531980865 /nfs/dbraw/zinc/98/08/65/531980865.db2.gz JIYSGZYIFCYCCY-GFCCVEGCSA-N 1 0 384.249 1.557 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000419886135 531980872 /nfs/dbraw/zinc/98/08/72/531980872.db2.gz HYRRXDQSXCKEAU-UHFFFAOYSA-N 1 0 378.523 1.790 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCc2c(Br)cccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000419879750 531981244 /nfs/dbraw/zinc/98/12/44/531981244.db2.gz GVNRGDSDKFMQKM-QWHCGFSZSA-N 1 0 394.313 1.838 20 0 GDADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1ccc(Cl)cc1I ZINC000573369683 531981887 /nfs/dbraw/zinc/98/18/87/531981887.db2.gz MNBIPJRHDJCJQB-ZETCQYMHSA-N 1 0 388.658 1.960 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC000370103917 531982280 /nfs/dbraw/zinc/98/22/80/531982280.db2.gz SGUAWCDWAYRLTC-ZWNOBZJWSA-N 1 0 375.288 1.830 20 0 GDADRO CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000419896609 531983221 /nfs/dbraw/zinc/98/32/21/531983221.db2.gz UMRZEWYGPDKYLQ-GXTWGEPZSA-N 1 0 396.285 1.599 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000419897353 531983933 /nfs/dbraw/zinc/98/39/33/531983933.db2.gz YPULOXMVBXJYRT-VHSXEESVSA-N 1 0 376.404 1.346 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000419900719 531984042 /nfs/dbraw/zinc/98/40/42/531984042.db2.gz ROLRWPPFCLTOPM-GJZGRUSLSA-N 1 0 396.285 1.217 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000419899590 531984115 /nfs/dbraw/zinc/98/41/15/531984115.db2.gz ZCFYKENEUYPMKJ-UHFFFAOYSA-N 1 0 397.317 1.578 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419917567 531984800 /nfs/dbraw/zinc/98/48/00/531984800.db2.gz BKVGBGJDSLBEAT-UHFFFAOYSA-N 1 0 380.286 1.491 20 0 GDADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419917641 531985285 /nfs/dbraw/zinc/98/52/85/531985285.db2.gz HRKDSZMKLMIRGL-ZDUSSCGKSA-N 1 0 380.286 1.666 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000419915434 531985413 /nfs/dbraw/zinc/98/54/13/531985413.db2.gz PLJVMSRLGFVEEI-LBPRGKRZSA-N 1 0 398.301 1.532 20 0 GDADRO CC1(c2ccc(Br)cc2)CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419919236 531986761 /nfs/dbraw/zinc/98/67/61/531986761.db2.gz DWGIYZXOXBHQJW-UHFFFAOYSA-N 1 0 394.313 1.665 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000419939722 531987983 /nfs/dbraw/zinc/98/79/83/531987983.db2.gz JMCPFDNJGUDOHZ-BXUZGUMPSA-N 1 0 384.274 1.060 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000419953481 531989405 /nfs/dbraw/zinc/98/94/05/531989405.db2.gz PNHKOVCWOOHZBB-SMDDNHRTSA-N 1 0 383.290 1.479 20 0 GDADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000573770908 531990316 /nfs/dbraw/zinc/99/03/16/531990316.db2.gz QNCSVXKCDLWGOJ-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO COCCN(Cc1ccc(Br)s1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419960087 531990800 /nfs/dbraw/zinc/99/08/00/531990800.db2.gz RWUSALIMSXVSBF-SNVBAGLBSA-N 1 0 392.319 1.197 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000420005227 531996408 /nfs/dbraw/zinc/99/64/08/531996408.db2.gz WFVBHEDUKDVWKS-LLVKDONJSA-N 1 0 388.331 1.975 20 0 GDADRO NS(=O)(=O)CC1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000299526799 531996799 /nfs/dbraw/zinc/99/67/99/531996799.db2.gz DJEFXCYIXSDFRO-UHFFFAOYSA-N 1 0 384.889 1.933 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1)C1CC1 ZINC000420023258 531997049 /nfs/dbraw/zinc/99/70/49/531997049.db2.gz ALSHRFBLTXKSPC-MRXNPFEDSA-N 1 0 392.297 1.918 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000420050735 531999539 /nfs/dbraw/zinc/99/95/39/531999539.db2.gz VMLXQXIEXJBCOO-GXTWGEPZSA-N 1 0 384.933 1.289 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(Br)n2)C[C@@H](C)O1 ZINC000284866432 532000007 /nfs/dbraw/zinc/00/00/07/532000007.db2.gz UWMFXMPIUDIKLF-VXGBXAGGSA-N 1 0 399.289 1.398 20 0 GDADRO Cc1nc(CS(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000657084620 532000124 /nfs/dbraw/zinc/00/01/24/532000124.db2.gz KJTXCXWNBRMZEG-KRWDZBQOSA-N 1 0 381.523 1.638 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000420113213 532002186 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1.811 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cnn3cc(Br)cnc23)C[C@@H]1[NH+](C)C ZINC000271327760 532003535 /nfs/dbraw/zinc/00/35/35/532003535.db2.gz MPCPXDCRLWDGBT-NWDGAFQWSA-N 1 0 384.303 1.609 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000420119506 532004409 /nfs/dbraw/zinc/00/44/09/532004409.db2.gz JEVZVHBYQMGNOT-JSGCOSHPSA-N 1 0 398.301 1.543 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000420106701 532003074 /nfs/dbraw/zinc/00/30/74/532003074.db2.gz UZCSFELZGSDSMH-XHDPSFHLSA-N 1 0 380.286 1.448 20 0 GDADRO Cc1c(Br)cncc1C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000657353126 532005354 /nfs/dbraw/zinc/00/53/54/532005354.db2.gz GCNMXGLBQCQATD-UHFFFAOYSA-N 1 0 394.360 1.621 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1nccn2c(Br)cnc12 ZINC000271351908 532005385 /nfs/dbraw/zinc/00/53/85/532005385.db2.gz HJSCSINZNDNOSF-LBPRGKRZSA-N 1 0 396.289 1.459 20 0 GDADRO C[C@@H](CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC000459041265 532005784 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376.862 1.554 20 0 GDADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)CC1 ZINC000599097122 532005049 /nfs/dbraw/zinc/00/50/49/532005049.db2.gz GNRYBSIJWAXBFD-UHFFFAOYSA-N 1 0 376.425 1.762 20 0 GDADRO COC(=O)c1oc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000599101664 532005098 /nfs/dbraw/zinc/00/50/98/532005098.db2.gz NUVJEMNLRDXPPF-ZJUUUORDSA-N 1 0 384.376 1.522 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2ccc(I)cc2)CCOCC1 ZINC000599100438 532005246 /nfs/dbraw/zinc/00/52/46/532005246.db2.gz DZSXIHQSNQWJIK-UHFFFAOYSA-N 1 0 396.250 1.077 20 0 GDADRO COC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000599101684 532005287 /nfs/dbraw/zinc/00/52/87/532005287.db2.gz NYKVYQNSUSJOKU-YPMHNXCESA-N 1 0 380.388 1.621 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000574990407 532007732 /nfs/dbraw/zinc/00/77/32/532007732.db2.gz WWMQAKLFNITJOP-UWVGGRQHSA-N 1 0 380.297 1.467 20 0 GDADRO COCCOC[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000574983011 532007830 /nfs/dbraw/zinc/00/78/30/532007830.db2.gz UFMUGHPRLDBZPQ-LBPRGKRZSA-N 1 0 380.304 1.864 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000420212942 532009956 /nfs/dbraw/zinc/00/99/56/532009956.db2.gz UMQUPWZLVAZSAT-MFKMUULPSA-N 1 0 398.276 1.717 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420201079 532009170 /nfs/dbraw/zinc/00/91/70/532009170.db2.gz HEMYPFBBDULMEA-NWANDNLSSA-N 1 0 394.313 1.912 20 0 GDADRO C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000632048341 532010414 /nfs/dbraw/zinc/01/04/14/532010414.db2.gz HDECTDCSLAYRFE-AWEZNQCLSA-N 1 0 375.485 1.625 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)c1OC ZINC000420443711 532012259 /nfs/dbraw/zinc/01/22/59/532012259.db2.gz BNRCWMPZGOEOGB-UHFFFAOYSA-N 1 0 375.878 1.129 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1OC ZINC000420447140 532014840 /nfs/dbraw/zinc/01/48/40/532014840.db2.gz CHKBNKOWBYLHTJ-MWLCHTKSSA-N 1 0 376.862 1.541 20 0 GDADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)CC1 ZINC000599221755 532014904 /nfs/dbraw/zinc/01/49/04/532014904.db2.gz OHCUKSPNSOWLNV-UHFFFAOYSA-N 1 0 376.425 1.856 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000420453412 532015414 /nfs/dbraw/zinc/01/54/14/532015414.db2.gz KFNMCTNRHORTKQ-UKRRQHHQSA-N 1 0 389.543 1.634 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000632164438 532016149 /nfs/dbraw/zinc/01/61/49/532016149.db2.gz QLXRQJQKGSIJAO-OAHLLOKOSA-N 1 0 378.441 1.943 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000420451885 532016305 /nfs/dbraw/zinc/01/63/05/532016305.db2.gz RGTCYJPWKIWECM-LLVKDONJSA-N 1 0 391.291 1.683 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2nccn3c(Br)cnc23)CCSC1 ZINC000271451331 532016421 /nfs/dbraw/zinc/01/64/21/532016421.db2.gz XBRDQAJXAJANPW-AWEZNQCLSA-N 1 0 384.303 1.659 20 0 GDADRO CN1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@H](C[NH3+])C1 ZINC000575921297 532017113 /nfs/dbraw/zinc/01/71/13/532017113.db2.gz PDWNWRFVMFLEQP-OAHLLOKOSA-N 1 0 378.274 1.350 20 0 GDADRO C[N@@H+]1CCCN(C(=O)NCCNC(=O)c2cccc(Br)c2)CC1 ZINC000299664533 532017300 /nfs/dbraw/zinc/01/73/00/532017300.db2.gz VDTOGNKAJOERIT-UHFFFAOYSA-N 1 0 383.290 1.526 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000371528636 532019067 /nfs/dbraw/zinc/01/90/67/532019067.db2.gz MYZAATDLKCNCDS-UONOGXRCSA-N 1 0 379.507 1.532 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000459465510 532017760 /nfs/dbraw/zinc/01/77/60/532017760.db2.gz NQAZJJMJPZRRCY-UHFFFAOYSA-N 1 0 382.456 1.990 20 0 GDADRO CC(C)C[C@@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)Nc1nccs1 ZINC000632172173 532018085 /nfs/dbraw/zinc/01/80/85/532018085.db2.gz NXYHTBAFRBOHNV-CQSZACIVSA-N 1 0 388.559 1.902 20 0 GDADRO CC(F)(F)CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000632171239 532018238 /nfs/dbraw/zinc/01/82/38/532018238.db2.gz WEWYSDTZPZQLGS-HOTGVXAUSA-N 1 0 376.469 1.834 20 0 GDADRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000420471354 532020295 /nfs/dbraw/zinc/02/02/95/532020295.db2.gz PVCYJBNHFPORFV-UHFFFAOYSA-N 1 0 375.560 1.683 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)c(Br)cc3F)C[C@H]12 ZINC000576252188 532019819 /nfs/dbraw/zinc/01/98/19/532019819.db2.gz UUDZIYQMHHYBIK-RGNHYFCHSA-N 1 0 388.212 1.862 20 0 GDADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420468038 532020649 /nfs/dbraw/zinc/02/06/49/532020649.db2.gz FEZGIKYDQIIECY-ZDUSSCGKSA-N 1 0 376.862 1.255 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000420471221 532020966 /nfs/dbraw/zinc/02/09/66/532020966.db2.gz YEUSXGMSNIJRTF-VIFPVBQESA-N 1 0 390.330 1.753 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)[C@H]1SC ZINC000459530539 532021001 /nfs/dbraw/zinc/02/10/01/532021001.db2.gz LTXVKHIWRYTQQP-BZUAXINKSA-N 1 0 376.519 1.945 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C[C@H]1C[NH3+] 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CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cn1cnnn1 ZINC000425099135 532119103 /nfs/dbraw/zinc/11/91/03/532119103.db2.gz ODMJUYBZFPQOCY-UHFFFAOYSA-N 1 0 382.266 1.072 20 0 GDADRO CS(=O)(=O)C1(C(=O)Nc2cc(Br)ccc2O)CC[NH2+]CC1 ZINC000285897402 532119916 /nfs/dbraw/zinc/11/99/16/532119916.db2.gz CSJLOZCNJDHMML-UHFFFAOYSA-N 1 0 377.260 1.260 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285902042 532119986 /nfs/dbraw/zinc/11/99/86/532119986.db2.gz YJRDZHUOQCFDNK-MRXNPFEDSA-N 1 0 376.906 1.323 20 0 GDADRO [NH3+]CC[C@H]1CCCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000285961559 532122934 /nfs/dbraw/zinc/12/29/34/532122934.db2.gz GWIDMJVGHBEGEO-CQSZACIVSA-N 1 0 385.555 1.805 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)CN1CC[NH+](C)CC1 ZINC000330489568 532124814 /nfs/dbraw/zinc/12/48/14/532124814.db2.gz LYPNYCLUFWLDJB-ZDUSSCGKSA-N 1 0 390.347 1.611 20 0 GDADRO C[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000272742878 532112412 /nfs/dbraw/zinc/11/24/12/532112412.db2.gz CYJOSAPESMGXGD-LBPRGKRZSA-N 1 0 380.286 1.946 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cnc1Br ZINC000272806948 532115466 /nfs/dbraw/zinc/11/54/66/532115466.db2.gz FMHKJZLPXWTPPD-QWHCGFSZSA-N 1 0 381.274 1.834 20 0 GDADRO CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000272979858 532126873 /nfs/dbraw/zinc/12/68/73/532126873.db2.gz OEHXYFVJTBLDCQ-SFHVURJKSA-N 1 0 384.567 1.965 20 0 GDADRO Ic1cnc(C[NH2+]CC2(N3CCOCC3)CC2)s1 ZINC000286019569 532127340 /nfs/dbraw/zinc/12/73/40/532127340.db2.gz PSTMFUCFPCFYDR-UHFFFAOYSA-N 1 0 379.267 1.702 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCC2(C)CC[NH2+]CC2)ccc1Cl ZINC000273033070 532129080 /nfs/dbraw/zinc/12/90/80/532129080.db2.gz SNQYTLFRIONSLB-UHFFFAOYSA-N 1 0 389.905 1.641 20 0 GDADRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000273086889 532132788 /nfs/dbraw/zinc/13/27/88/532132788.db2.gz YXXRTCKTNLCMRB-CYBMUJFWSA-N 1 0 385.917 1.854 20 0 GDADRO COc1cc2[nH+]ccc(N3CCN(C(=O)CO)CC3)c2cc1Br ZINC000425250509 532132825 /nfs/dbraw/zinc/13/28/25/532132825.db2.gz VZTYDAZTVDSDTO-UHFFFAOYSA-N 1 0 380.242 1.647 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1 ZINC000425457217 532140025 /nfs/dbraw/zinc/14/00/25/532140025.db2.gz JSXQJXDNEYITTI-ZIAGYGMSSA-N 1 0 376.425 1.456 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CCCO1 ZINC000331570513 532150802 /nfs/dbraw/zinc/15/08/02/532150802.db2.gz DPDQDJFSZBGJKM-ZETCQYMHSA-N 1 0 389.724 1.902 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000286495619 532154383 /nfs/dbraw/zinc/15/43/83/532154383.db2.gz QWHLWVGKSPDBFR-UHFFFAOYSA-N 1 0 385.839 1.885 20 0 GDADRO COC(=O)[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000425519958 532142467 /nfs/dbraw/zinc/14/24/67/532142467.db2.gz PWXHZTQAHJBDJG-LSDHHAIUSA-N 1 0 396.285 1.663 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)N1CCSC[C@H]1c1nccs1)C1CCCC1 ZINC000286341538 532143544 /nfs/dbraw/zinc/14/35/44/532143544.db2.gz KXBHJFOVYJLXOD-AWEZNQCLSA-N 1 0 382.555 1.750 20 0 GDADRO CC(C)NC(=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425725992 532147048 /nfs/dbraw/zinc/14/70/48/532147048.db2.gz NWSCNYPDKAAHBF-UHFFFAOYSA-N 1 0 385.306 1.910 20 0 GDADRO CS[C@@H]1CN(Cc2csc(CS(C)(=O)=O)n2)C[C@@H]1[NH+]1CCCC1 ZINC000331532308 532148496 /nfs/dbraw/zinc/14/84/96/532148496.db2.gz HAUBSLRYIQXCEO-UONOGXRCSA-N 1 0 375.585 1.699 20 0 GDADRO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000331553663 532149853 /nfs/dbraw/zinc/14/98/53/532149853.db2.gz JTBZBNJXLDADQW-BARDWOONSA-N 1 0 376.544 1.170 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000273700699 532165397 /nfs/dbraw/zinc/16/53/97/532165397.db2.gz NPRYKPUMBKQAHS-ZDUSSCGKSA-N 1 0 389.543 1.483 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nc3ncc(Br)cn3n2)C[C@H]1C ZINC000332149807 532167029 /nfs/dbraw/zinc/16/70/29/532167029.db2.gz ILRAJWCUNHLADW-ZYHUDNBSSA-N 1 0 381.278 1.832 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N3C[C@@H](C)[C@H]([NH3+])C3)C2=O)ccc1Br ZINC000332153853 532167049 /nfs/dbraw/zinc/16/70/49/532167049.db2.gz QVHXVSFUHCOYKU-DFBGVHRSSA-N 1 0 395.301 1.851 20 0 GDADRO NC(=O)N1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000331932882 532156074 /nfs/dbraw/zinc/15/60/74/532156074.db2.gz DUGUDPAWJIRYGL-CYBMUJFWSA-N 1 0 390.253 1.414 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000286511628 532156081 /nfs/dbraw/zinc/15/60/81/532156081.db2.gz OITSEOJDLWHSBJ-SMDDNHRTSA-N 1 0 398.301 1.845 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)ncc1Br ZINC000425823288 532156346 /nfs/dbraw/zinc/15/63/46/532156346.db2.gz VULACLLQEPVFTF-WCQYABFASA-N 1 0 381.274 1.644 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000332026105 532160460 /nfs/dbraw/zinc/16/04/60/532160460.db2.gz UATLVKLJKXPEGK-KWQFWETISA-N 1 0 388.287 1.444 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000375378546 532162953 /nfs/dbraw/zinc/16/29/53/532162953.db2.gz MKCBRZIEURHWBN-NWDGAFQWSA-N 1 0 381.274 1.725 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000332296101 532178238 /nfs/dbraw/zinc/17/82/38/532178238.db2.gz FFVVXAFOSVWVFZ-GVXVVHGQSA-N 1 0 381.274 1.677 20 0 GDADRO CC[N@H+](CCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)CCC(F)(F)F ZINC000427227134 532178537 /nfs/dbraw/zinc/17/85/37/532178537.db2.gz WODLKIDVRNWALB-JTQLQIEISA-N 1 0 377.329 1.788 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1cccc(Cl)c1Cl ZINC000286867365 532182784 /nfs/dbraw/zinc/18/27/84/532182784.db2.gz GXWRDQOPHPKGOI-NWDGAFQWSA-N 1 0 387.311 1.533 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000286883058 532183602 /nfs/dbraw/zinc/18/36/02/532183602.db2.gz FKMYFBUVPLFWQF-GOEBONIOSA-N 1 0 387.571 1.461 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(Br)cc3O)CC2)C1=O ZINC000332383668 532183781 /nfs/dbraw/zinc/18/37/81/532183781.db2.gz HZFDHYSWHQYCTC-AWEZNQCLSA-N 1 0 396.285 1.580 20 0 GDADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000375809881 532184494 /nfs/dbraw/zinc/18/44/94/532184494.db2.gz JPXNQHIDLONUKX-MRXNPFEDSA-N 1 0 382.302 1.772 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332269760 532176795 /nfs/dbraw/zinc/17/67/95/532176795.db2.gz GEMJAYMXPCZTNL-GHMZBOCLSA-N 1 0 399.232 1.298 20 0 GDADRO C[C@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000332501348 532190964 /nfs/dbraw/zinc/19/09/64/532190964.db2.gz GMSUIXFYJLJJGZ-GXTWGEPZSA-N 1 0 387.311 1.740 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000332515784 532191236 /nfs/dbraw/zinc/19/12/36/532191236.db2.gz WWAMTKOGBAXDDD-ZDUSSCGKSA-N 1 0 385.917 1.852 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(C)c3C2)C1 ZINC000332579243 532196686 /nfs/dbraw/zinc/19/66/86/532196686.db2.gz FDFLONHKODTHJK-OAHLLOKOSA-N 1 0 394.313 1.853 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)C[C@@H](C)[NH2+]1 ZINC000332621522 532201077 /nfs/dbraw/zinc/20/10/77/532201077.db2.gz FBGBMESVRCDCCH-NFAWXSAZSA-N 1 0 394.313 1.974 20 0 GDADRO CCc1oc(C(=O)OC)cc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000332621726 532200704 /nfs/dbraw/zinc/20/07/04/532200704.db2.gz GKBBZABKNZKVGS-ZWNOBZJWSA-N 1 0 376.500 1.295 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000428444212 532207758 /nfs/dbraw/zinc/20/77/58/532207758.db2.gz URPAFOGKXHSHIR-AAEUAGOBSA-N 1 0 389.315 1.679 20 0 GDADRO CN(CCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)S(=O)(=O)c1cccs1 ZINC000376526741 532217701 /nfs/dbraw/zinc/21/77/01/532217701.db2.gz AOUSMOMJXLDWNF-KGLIPLIRSA-N 1 0 386.543 1.295 20 0 GDADRO C[C@H]1C[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC[NH2+]1 ZINC000333243212 532227191 /nfs/dbraw/zinc/22/71/91/532227191.db2.gz BISIHCNYNILITH-NWDGAFQWSA-N 1 0 398.305 1.943 20 0 GDADRO C[C@H](NC(=O)CCC(=O)N(C)[C@@H](C)C[NH3+])C(=O)c1ccc(Br)cc1 ZINC000429341135 532227864 /nfs/dbraw/zinc/22/78/64/532227864.db2.gz YFFWXKSDIXSMEJ-RYUDHWBXSA-N 1 0 398.301 1.722 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000429613893 532231094 /nfs/dbraw/zinc/23/10/94/532231094.db2.gz WVSGFANXOJRELE-ZDUSSCGKSA-N 1 0 375.516 1.016 20 0 GDADRO Cc1cccc(S(=O)(=O)CCC[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000429706168 532231502 /nfs/dbraw/zinc/23/15/02/532231502.db2.gz FJHJNIXAZQQFIL-IAGOWNOFSA-N 1 0 388.555 1.609 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000429713524 532232803 /nfs/dbraw/zinc/23/28/03/532232803.db2.gz DLGKZOXEWKUEEF-VNQPRFMTSA-N 1 0 390.933 1.838 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CCO1 ZINC000274783229 532233792 /nfs/dbraw/zinc/23/37/92/532233792.db2.gz LQGZMEVPMHBPEZ-GFCCVEGCSA-N 1 0 383.221 1.574 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000429037006 532221873 /nfs/dbraw/zinc/22/18/73/532221873.db2.gz SHBFWZNEYYBKRU-YGRLFVJLSA-N 1 0 395.294 1.493 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@H]1[NH+]1CCCC1 ZINC000333182332 532223840 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GDADRO COC(=O)CN1CCC([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000430151505 532243619 /nfs/dbraw/zinc/24/36/19/532243619.db2.gz UZRIAESWFSDDAR-HNNXBMFYSA-N 1 0 389.265 1.849 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000333721670 532246947 /nfs/dbraw/zinc/24/69/47/532246947.db2.gz URGRMYUZZSJPIR-WFASDCNBSA-N 1 0 395.301 1.631 20 0 GDADRO C[C@H](CNC(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1)[N@H+](C)C1CC1 ZINC000287882217 532247642 /nfs/dbraw/zinc/24/76/42/532247642.db2.gz NDRGAVGGCWFFKI-SECBINFHSA-N 1 0 378.420 1.719 20 0 GDADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1Cl ZINC000333762740 532249180 /nfs/dbraw/zinc/24/91/80/532249180.db2.gz CWESLXJGVJENDG-UHFFFAOYSA-N 1 0 375.897 1.974 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000287916201 532251159 /nfs/dbraw/zinc/25/11/59/532251159.db2.gz GHNDZQQGVZDSCI-UHFFFAOYSA-N 1 0 379.258 1.956 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000274994667 532251693 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/nfs/dbraw/zinc/25/69/43/532256943.db2.gz XMPFIZHAHJXSDA-ZDUSSCGKSA-N 1 0 397.317 1.435 20 0 GDADRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000431014458 532259376 /nfs/dbraw/zinc/25/93/76/532259376.db2.gz JIZBPNUPMPHKPY-UHFFFAOYSA-N 1 0 389.543 1.267 20 0 GDADRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000431016632 532260105 /nfs/dbraw/zinc/26/01/05/532260105.db2.gz WMFGHIQSZVKGQA-UHFFFAOYSA-N 1 0 378.292 1.344 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cncc(Br)c1 ZINC000288077883 532261504 /nfs/dbraw/zinc/26/15/04/532261504.db2.gz GXSFASREWZMQAI-RISCZKNCSA-N 1 0 381.274 1.868 20 0 GDADRO NC(=O)C[C@H]1CC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000377506656 532261661 /nfs/dbraw/zinc/26/16/61/532261661.db2.gz VLNQRRXKZYPQOY-SNVBAGLBSA-N 1 0 387.221 1.427 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000377549102 532264187 /nfs/dbraw/zinc/26/41/87/532264187.db2.gz JSFRKUUCRCOJNX-WFASDCNBSA-N 1 0 398.301 1.672 20 0 GDADRO CSC1(CNC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)CC[NH+](C)CC1 ZINC000431375877 532264826 /nfs/dbraw/zinc/26/48/26/532264826.db2.gz TURLSQHKYOYXPU-AWEZNQCLSA-N 1 0 377.576 1.280 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432290632 532282470 /nfs/dbraw/zinc/28/24/70/532282470.db2.gz CXNMNQGFWXBKHP-XHSDSOJGSA-N 1 0 376.519 1.139 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378222191 532283807 /nfs/dbraw/zinc/28/38/07/532283807.db2.gz HRSXCIINTLEBSK-RWMBFGLXSA-N 1 0 376.910 1.254 20 0 GDADRO O=C(Cc1ccc(Br)cc1O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000431695362 532272602 /nfs/dbraw/zinc/27/26/02/532272602.db2.gz WPDGNEVMOHKHTM-UHFFFAOYSA-N 1 0 396.329 1.937 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(Br)cn1 ZINC000288506041 532293828 /nfs/dbraw/zinc/29/38/28/532293828.db2.gz GSPCWQRPFPFJCF-SLEUVZQESA-N 1 0 397.317 1.820 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc(Br)cn1 ZINC000288546747 532296000 /nfs/dbraw/zinc/29/60/00/532296000.db2.gz JRDVAOIHYCIMDX-NWDGAFQWSA-N 1 0 395.301 1.788 20 0 GDADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1Cl ZINC000389824927 532297080 /nfs/dbraw/zinc/29/70/80/532297080.db2.gz RXRSMMRWESJPNM-SNVBAGLBSA-N 1 0 383.695 1.759 20 0 GDADRO CCC[C@H]([NH3+])c1cn(Cc2cc(=O)n3cc(Br)ccc3n2)nn1 ZINC000391588286 532298459 /nfs/dbraw/zinc/29/84/59/532298459.db2.gz NCEKIGUUNOQRSZ-LBPRGKRZSA-N 1 0 377.246 1.897 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)C1 ZINC000275602295 532301980 /nfs/dbraw/zinc/30/19/80/532301980.db2.gz HEHWZVDPWSERRX-RYUDHWBXSA-N 1 0 389.568 1.485 20 0 GDADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2nc3cc(Br)cnc3[nH]2)C1(C)C ZINC000275610462 532302330 /nfs/dbraw/zinc/30/23/30/532302330.db2.gz HEUIECXTSSZAKV-MEDUHNTESA-N 1 0 396.289 1.869 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000289455782 532324935 /nfs/dbraw/zinc/32/49/35/532324935.db2.gz LMZCNMMRGLEFAI-ZDUSSCGKSA-N 1 0 379.448 1.928 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000289485872 532325967 /nfs/dbraw/zinc/32/59/67/532325967.db2.gz OOMKAHPBRJXXJN-CQSZACIVSA-N 1 0 389.949 1.791 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000275776872 532309421 /nfs/dbraw/zinc/30/94/21/532309421.db2.gz FCLXXQUUMMDVFH-LLVKDONJSA-N 1 0 383.290 1.971 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000275809037 532310519 /nfs/dbraw/zinc/31/05/19/532310519.db2.gz QJQVBEHTXHLCCI-UONOGXRCSA-N 1 0 389.543 1.088 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000288998129 532313246 /nfs/dbraw/zinc/31/32/46/532313246.db2.gz YXVTXSQXSGYSRM-UHFFFAOYSA-N 1 0 385.306 1.387 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000275963320 532316323 /nfs/dbraw/zinc/31/63/23/532316323.db2.gz WAHFBVSOIWDCQO-JTQLQIEISA-N 1 0 383.392 1.441 20 0 GDADRO COc1c(Br)c(C)sc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289257952 532319535 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20 0 GDADRO C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000275600212 570697241 /nfs/dbraw/zinc/69/72/41/570697241.db2.gz HXLJDWTYLMXBQQ-OALUTQOASA-N 1 0 389.496 1.142 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000738347341 598877837 /nfs/dbraw/zinc/87/78/37/598877837.db2.gz HMNVFCCDVWJBKG-GFCCVEGCSA-N 1 0 380.449 1.112 20 0 GDADRO OC[C@]1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCCN(Cc2ccccc2)C1 ZINC000738393940 598900479 /nfs/dbraw/zinc/90/04/79/598900479.db2.gz OHGFCWFHNWEZGA-NRFANRHFSA-N 1 0 378.480 1.983 20 0 GDADRO C[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000736016648 598932078 /nfs/dbraw/zinc/93/20/78/598932078.db2.gz BTGPHRLZDBTQKP-LBPRGKRZSA-N 1 0 392.895 1.525 20 0 GDADRO O=S(=O)(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000738344654 598960031 /nfs/dbraw/zinc/96/00/31/598960031.db2.gz ZLQGELMRDQVVIM-QGZVFWFLSA-N 1 0 398.492 1.810 20 0 GDADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000738436895 598971920 /nfs/dbraw/zinc/97/19/20/598971920.db2.gz LFKUFYVFXVYUPD-CYBMUJFWSA-N 1 0 380.456 1.723 20 0 GDADRO CCCNC(=O)[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736479699 598984378 /nfs/dbraw/zinc/98/43/78/598984378.db2.gz FLDLHKKTRIFFSI-HNNXBMFYSA-N 1 0 388.472 1.492 20 0 GDADRO COc1ccccc1C[N@H+](CCO)CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000737150753 598986831 /nfs/dbraw/zinc/98/68/31/598986831.db2.gz UOMSYQIDYVRONU-UHFFFAOYSA-N 1 0 399.451 1.757 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000737223212 599000578 /nfs/dbraw/zinc/00/05/78/599000578.db2.gz CNEJIZMQDPRSIG-UHFFFAOYSA-N 1 0 376.486 1.328 20 0 GDADRO CC[C@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)[NH+](CC)CC ZINC000736315139 599018124 /nfs/dbraw/zinc/01/81/24/599018124.db2.gz WFUUDISHOUSQBZ-GFCCVEGCSA-N 1 0 378.433 1.679 20 0 GDADRO CC[C@@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)[NH+](CC)CC ZINC000736315145 599018637 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/nfs/dbraw/zinc/64/00/62/598640062.db2.gz MVSQABHFKJTVFR-UHFFFAOYSA-N 1 0 391.451 1.573 20 0 GDADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000735876205 598687944 /nfs/dbraw/zinc/68/79/44/598687944.db2.gz WXSKHNIAWMYOKX-UHFFFAOYSA-N 1 0 382.465 1.499 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736569608 598689505 /nfs/dbraw/zinc/68/95/05/598689505.db2.gz KIEVCGUHTXBNEU-UHFFFAOYSA-N 1 0 377.836 1.013 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000736275804 598693033 /nfs/dbraw/zinc/69/30/33/598693033.db2.gz DCDNDCAEAKFDCQ-LBPRGKRZSA-N 1 0 382.465 1.405 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736568347 598694074 /nfs/dbraw/zinc/69/40/74/598694074.db2.gz AMJKXFHOMSRKKI-GFCCVEGCSA-N 1 0 391.863 1.449 20 0 GDADRO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000735670089 598697517 /nfs/dbraw/zinc/69/75/17/598697517.db2.gz CBMFIZOTXMZSDG-UHFFFAOYSA-N 1 0 387.448 1.302 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CCC[C@@H]([NH+](C)C)C1 ZINC000735571192 598703525 /nfs/dbraw/zinc/70/35/25/598703525.db2.gz ULDHUIADSZRHKX-NWDGAFQWSA-N 1 0 389.529 1.770 20 0 GDADRO CCCCCC[N@H+](C)CC(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000736447032 598717314 /nfs/dbraw/zinc/71/73/14/598717314.db2.gz DNIZBCHUKQVPLF-UHFFFAOYSA-N 1 0 386.504 1.422 20 0 GDADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738145379 598731132 /nfs/dbraw/zinc/73/11/32/598731132.db2.gz IXFQYHSSUYGXFD-LLVKDONJSA-N 1 0 379.371 1.780 20 0 GDADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000735875055 598731950 /nfs/dbraw/zinc/73/19/50/598731950.db2.gz PAVNEEJAZGGXJS-QGZVFWFLSA-N 1 0 386.504 1.033 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000669628169 598756376 /nfs/dbraw/zinc/75/63/76/598756376.db2.gz RCVHWZDZOYLHAB-LSDHHAIUSA-N 1 0 396.904 1.767 20 0 GDADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000736171906 598758747 /nfs/dbraw/zinc/75/87/47/598758747.db2.gz ZOBAZOLFEVXHDD-CQSZACIVSA-N 1 0 388.472 1.203 20 0 GDADRO C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736127523 598765646 /nfs/dbraw/zinc/76/56/46/598765646.db2.gz RHQMYHFMIMTTBT-AWEZNQCLSA-N 1 0 392.467 1.505 20 0 GDADRO C[C@H](C[NH+]1CCN(C)CC1)Nc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21 ZINC000736000825 598772916 /nfs/dbraw/zinc/77/29/16/598772916.db2.gz JRWYISUXRUGUMF-LLVKDONJSA-N 1 0 388.426 1.741 20 0 GDADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736797255 598776556 /nfs/dbraw/zinc/77/65/56/598776556.db2.gz FRPYTVGPPXMSLR-CQSZACIVSA-N 1 0 398.389 1.731 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842486 598777079 /nfs/dbraw/zinc/77/70/79/598777079.db2.gz CILKANQUFHXXQU-HNNXBMFYSA-N 1 0 397.483 1.672 20 0 GDADRO O[C@@H](COCc1ccco1)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738384898 598781183 /nfs/dbraw/zinc/78/11/83/598781183.db2.gz FYZBRCNKQMSPNM-MRXNPFEDSA-N 1 0 399.451 1.881 20 0 GDADRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)CC2 ZINC000736133282 598787491 /nfs/dbraw/zinc/78/74/91/598787491.db2.gz REYJMUPHVVCDOX-STQMWFEESA-N 1 0 395.471 1.513 20 0 GDADRO CCOc1ncccc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736654677 598805524 /nfs/dbraw/zinc/80/55/24/598805524.db2.gz JGCNDTAUTUNKAV-UHFFFAOYSA-N 1 0 395.467 1.864 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CC1 ZINC000736536824 598821336 /nfs/dbraw/zinc/82/13/36/598821336.db2.gz HTCCBDOTAKZPBS-UHFFFAOYSA-N 1 0 377.836 1.059 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736405530 599293160 /nfs/dbraw/zinc/29/31/60/599293160.db2.gz GLHVNZLUUPZDPA-QWHCGFSZSA-N 1 0 380.449 1.253 20 0 GDADRO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000736408261 599301241 /nfs/dbraw/zinc/30/12/41/599301241.db2.gz RJXXTSAIESSCCK-ZFWWWQNUSA-N 1 0 394.501 1.025 20 0 GDADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000736201335 599310153 /nfs/dbraw/zinc/31/01/53/599310153.db2.gz XBNFJXHVQVXIEK-ZDUSSCGKSA-N 1 0 390.455 1.427 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254195 599347418 /nfs/dbraw/zinc/34/74/18/599347418.db2.gz KCKJBUROCZSTEF-AAEUAGOBSA-N 1 0 382.465 1.357 20 0 GDADRO CC[C@H](C(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1)[NH+](CC)CC ZINC000736313569 599358847 /nfs/dbraw/zinc/35/88/47/599358847.db2.gz NGWMQCGIIHNDOH-OAHLLOKOSA-N 1 0 389.479 1.775 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821189385 599371965 /nfs/dbraw/zinc/37/19/65/599371965.db2.gz LERXTXJFSMYSJV-GFCCVEGCSA-N 1 0 382.465 1.358 20 0 GDADRO [NH2+]=C(COc1ccccc1)NOCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822889848 599382731 /nfs/dbraw/zinc/38/27/31/599382731.db2.gz GKZYLMMGTMBEKJ-UHFFFAOYSA-N 1 0 392.379 1.994 20 0 GDADRO C[NH+](C)C1(CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2)Cc2ccccc2C1 ZINC000821581032 599409098 /nfs/dbraw/zinc/40/90/98/599409098.db2.gz AYVNSSFLMGBPEX-UHFFFAOYSA-N 1 0 391.479 1.765 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000821808297 599420323 /nfs/dbraw/zinc/42/03/23/599420323.db2.gz CPBNJXFFGBJKHD-KRWDZBQOSA-N 1 0 378.436 1.766 20 0 GDADRO O[C@H](C[NH+]1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)CC1)c1ccccc1 ZINC000823675585 599432038 /nfs/dbraw/zinc/43/20/38/599432038.db2.gz YDEYNLIOPAKACL-GOSISDBHSA-N 1 0 382.468 1.995 20 0 GDADRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCOC1 ZINC000820351437 599449846 /nfs/dbraw/zinc/44/98/46/599449846.db2.gz PEEDNLIWVMWJFV-CRAIPNDOSA-N 1 0 399.499 1.509 20 0 GDADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000738117445 599454536 /nfs/dbraw/zinc/45/45/36/599454536.db2.gz SSBUNFPAQSJOLT-HNNXBMFYSA-N 1 0 385.472 1.167 20 0 GDADRO CC(C)(C)[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000819914613 599484281 /nfs/dbraw/zinc/48/42/81/599484281.db2.gz ZFVOMCCHUWSVRU-UHFFFAOYSA-N 1 0 379.490 1.189 20 0 GDADRO O=C1CCCN1c1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000738304887 599485304 /nfs/dbraw/zinc/48/53/04/599485304.db2.gz PSEDSHZBFSQSID-UHFFFAOYSA-N 1 0 388.435 1.931 20 0 GDADRO O=C(NCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc(F)cc1 ZINC000738074616 599487699 /nfs/dbraw/zinc/48/76/99/599487699.db2.gz KJCZDXBKDZAPMX-UHFFFAOYSA-N 1 0 380.387 1.173 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000738421622 599491785 /nfs/dbraw/zinc/49/17/85/599491785.db2.gz RXWSENWJHYUCDR-KRWDZBQOSA-N 1 0 382.472 1.247 20 0 GDADRO CC[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736350848 599517552 /nfs/dbraw/zinc/51/75/52/599517552.db2.gz CHOWJYDWDBINKE-WDEREUQCSA-N 1 0 378.502 1.885 20 0 GDADRO c1cc(-c2nnc(CN3CC[NH+](C4CCCC4)CC3)o2)ccc1-c1nn[nH]n1 ZINC000823738174 599563484 /nfs/dbraw/zinc/56/34/84/599563484.db2.gz OZGALMGRNXNUGQ-UHFFFAOYSA-N 1 0 380.456 1.977 20 0 GDADRO COC[C@@H](C)[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccccc1 ZINC000736967601 599575571 /nfs/dbraw/zinc/57/55/71/599575571.db2.gz BONISOQJYGTBLT-CYBMUJFWSA-N 1 0 397.483 1.896 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000737739328 599585886 /nfs/dbraw/zinc/58/58/86/599585886.db2.gz KMMKBQYTETVJAQ-LPHOPBHVSA-N 1 0 397.527 1.981 20 0 GDADRO O=C(CC[N@H+]1CCCN(CC(F)(F)F)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737843194 599587177 /nfs/dbraw/zinc/58/71/77/599587177.db2.gz IYOLMAHMXMTCGJ-UHFFFAOYSA-N 1 0 397.405 1.765 20 0 GDADRO O=C(CCN1CCC[N@H+](C[C@H]2CCCO2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737844917 599588234 /nfs/dbraw/zinc/58/82/34/599588234.db2.gz XAUANSJBPFLQPK-GOSISDBHSA-N 1 0 399.499 1.382 20 0 GDADRO C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)CC(=O)NCc1ccccc1 ZINC000736791948 599592117 /nfs/dbraw/zinc/59/21/17/599592117.db2.gz JAUIPYMJXZNYHO-UHFFFAOYSA-N 1 0 393.451 1.444 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1-c1nn[nH]n1 ZINC000822319438 599599084 /nfs/dbraw/zinc/59/90/84/599599084.db2.gz RTPSBPYCYAENPY-JSGCOSHPSA-N 1 0 385.472 1.350 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000822312304 599602888 /nfs/dbraw/zinc/60/28/88/599602888.db2.gz CXCSZZFXKBNDAX-TZMCWYRMSA-N 1 0 385.472 1.350 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1-c1nn[nH]n1 ZINC000822319391 599603340 /nfs/dbraw/zinc/60/33/40/599603340.db2.gz QATIFHQZRUVFQD-AWEZNQCLSA-N 1 0 385.472 1.350 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c1-c1nn[nH]n1 ZINC000822313465 599605927 /nfs/dbraw/zinc/60/59/27/599605927.db2.gz MZGUQTQXTNFAEW-LSDHHAIUSA-N 1 0 383.456 1.199 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738151938 599616821 /nfs/dbraw/zinc/61/68/21/599616821.db2.gz LHDCSWJRZCGBAY-MRXNPFEDSA-N 1 0 383.456 1.282 20 0 GDADRO O=C1[C@@H](N2CC[C@H](C[NH+]3CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504474 599642185 /nfs/dbraw/zinc/64/21/85/599642185.db2.gz QPJUQQNEPGDAHS-APWZRJJASA-N 1 0 395.511 1.780 20 0 GDADRO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821180718 599644205 /nfs/dbraw/zinc/64/42/05/599644205.db2.gz GEVXEQRKGHNHHX-JSGCOSHPSA-N 1 0 375.477 1.820 20 0 GDADRO CC(C)C[C@H]1CC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000820067109 599646251 /nfs/dbraw/zinc/64/62/51/599646251.db2.gz CZKKOBXEIYTCLP-OAHLLOKOSA-N 1 0 397.483 1.956 20 0 GDADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000820972094 599646477 /nfs/dbraw/zinc/64/64/77/599646477.db2.gz KSYQYWSRKJSTSL-XJKSGUPXSA-N 1 0 383.456 1.709 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820709069 599672557 /nfs/dbraw/zinc/67/25/57/599672557.db2.gz CNUUZJBKHQNEKR-HUUCEWRRSA-N 1 0 387.488 1.665 20 0 GDADRO 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Cc1oc(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1C ZINC000826341952 607477128 /nfs/dbraw/zinc/47/71/28/607477128.db2.gz UIPXQSFUEBKOTO-ZBFHGGJFSA-N 1 0 399.499 1.964 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC[N@@H+]1C ZINC000828175977 601043016 /nfs/dbraw/zinc/04/30/16/601043016.db2.gz GOGTYYQXQYYEAJ-WBVHZDCISA-N 1 0 389.500 1.497 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825460462 607528905 /nfs/dbraw/zinc/52/89/05/607528905.db2.gz XWLAHTHOERLANU-CYBMUJFWSA-N 1 0 375.502 1.324 20 0 GDADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C1CC1 ZINC000826150477 607530980 /nfs/dbraw/zinc/53/09/80/607530980.db2.gz FMWZPRKFPIGTDL-SKDRFNHKSA-N 1 0 376.486 1.759 20 0 GDADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000528955822 649932091 /nfs/dbraw/zinc/93/20/91/649932091.db2.gz QDBYEXHFNLDCBB-WDEREUQCSA-N 1 0 377.869 1.308 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825194621 607565555 /nfs/dbraw/zinc/56/55/55/607565555.db2.gz RNSYQFQZDWRAFU-HNNXBMFYSA-N 1 0 387.488 1.939 20 0 GDADRO CC[N@H+](CC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1)C1CC1 ZINC000825394627 607570730 /nfs/dbraw/zinc/57/07/30/607570730.db2.gz FXZIGIXPRGDBTE-UHFFFAOYSA-N 1 0 397.483 1.528 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000825413186 607586813 /nfs/dbraw/zinc/58/68/13/607586813.db2.gz YFBHCXLRFXRAOD-UHFFFAOYSA-N 1 0 398.508 1.994 20 0 GDADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826490016 607587372 /nfs/dbraw/zinc/58/73/72/607587372.db2.gz HFJJRANQJDWBLX-JTQLQIEISA-N 1 0 382.877 1.283 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000826302225 607587471 /nfs/dbraw/zinc/58/74/71/607587471.db2.gz CUELHRIEQZNYIA-KBPBESRZSA-N 1 0 378.502 1.716 20 0 GDADRO CC1CC[NH+](CCNS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000824956871 607588648 /nfs/dbraw/zinc/58/86/48/607588648.db2.gz UIXYIHJLNUMOHM-UHFFFAOYSA-N 1 0 384.893 1.530 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000824875754 607590300 /nfs/dbraw/zinc/59/03/00/607590300.db2.gz ORNQGSIAQVBRMA-HUUCEWRRSA-N 1 0 392.529 1.903 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccccc2-c2nn[nH]n2)o1 ZINC000826288093 607594434 /nfs/dbraw/zinc/59/44/34/607594434.db2.gz QNVMJFMMESGEGI-UHFFFAOYSA-N 1 0 390.469 1.521 20 0 GDADRO Cc1cccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1-c1nn[nH]n1 ZINC000826302590 607617459 /nfs/dbraw/zinc/61/74/59/607617459.db2.gz NKPIWQSFSYOUKE-AWEZNQCLSA-N 1 0 380.518 1.820 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(OC)c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000825453182 607622981 /nfs/dbraw/zinc/62/29/81/607622981.db2.gz SXHZZWJEKIUEBL-ZFWWWQNUSA-N 1 0 387.488 1.890 20 0 GDADRO COc1ccc(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1-c1nn[nH]n1 ZINC000826197785 607626420 /nfs/dbraw/zinc/62/64/20/607626420.db2.gz CQZNMCBULJYGAS-MRXNPFEDSA-N 1 0 399.499 1.749 20 0 GDADRO [NH3+]CC1(NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CCOCC1 ZINC000529306922 649939679 /nfs/dbraw/zinc/93/96/79/649939679.db2.gz OGDBSZMJZQPABH-ZDUSSCGKSA-N 1 0 397.317 1.835 20 0 GDADRO C[NH+](C)C1CCC(NC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000529500925 649947151 /nfs/dbraw/zinc/94/71/51/649947151.db2.gz WNDCWVHGASNXEG-UHFFFAOYSA-N 1 0 391.896 1.746 20 0 GDADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826456779 607707849 /nfs/dbraw/zinc/70/78/49/607707849.db2.gz XANXSXQAALMJJT-UHFFFAOYSA-N 1 0 392.467 1.979 20 0 GDADRO O=C([O-])CCC[NH+]1CCC([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000833774037 605220328 /nfs/dbraw/zinc/22/03/28/605220328.db2.gz VVPOXTONRDVBPQ-UHFFFAOYSA-N 1 0 375.513 1.938 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)CC1(O)CCCC1 ZINC000824052946 607754994 /nfs/dbraw/zinc/75/49/94/607754994.db2.gz SYBOZIAQBMNFMX-NSHDSACASA-N 1 0 390.513 1.981 20 0 GDADRO Cn1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O ZINC000530032677 649963101 /nfs/dbraw/zinc/96/31/01/649963101.db2.gz VHSJBHWUXMYWEO-CYBMUJFWSA-N 1 0 385.251 1.825 20 0 GDADRO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000822895377 606066927 /nfs/dbraw/zinc/06/69/27/606066927.db2.gz QBRYYBMRHMVNPQ-INIZCTEOSA-N 1 0 398.492 1.787 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596855 606097366 /nfs/dbraw/zinc/09/73/66/606097366.db2.gz WWPJNZTVAZRBMI-QGZVFWFLSA-N 1 0 383.500 1.147 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000823250160 606162076 /nfs/dbraw/zinc/16/20/76/606162076.db2.gz RAKCLHPLSAJCBL-UHFFFAOYSA-N 1 0 379.359 1.908 20 0 GDADRO Cc1cc(NC(=O)COc2cccc(-c3nn[nH]n3)c2)n(C2CC[NH+](C)CC2)n1 ZINC000822208591 606191701 /nfs/dbraw/zinc/19/17/01/606191701.db2.gz YYQLXVYHWKYHQS-UHFFFAOYSA-N 1 0 396.455 1.656 20 0 GDADRO COC1CC[NH+](CCNC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000821679738 606193990 /nfs/dbraw/zinc/19/39/90/606193990.db2.gz KUPSTNYUCMJAFO-UHFFFAOYSA-N 1 0 379.852 1.752 20 0 GDADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820261722 606219554 /nfs/dbraw/zinc/21/95/54/606219554.db2.gz PBFKYOUOICOWKB-AWEZNQCLSA-N 1 0 384.513 1.624 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@@H](C)C1 ZINC000820769720 606222720 /nfs/dbraw/zinc/22/27/20/606222720.db2.gz WBKZCFRMMBJWHC-FZMZJTMJSA-N 1 0 384.531 1.466 20 0 GDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC000821277464 606255162 /nfs/dbraw/zinc/25/51/62/606255162.db2.gz UEWWEBOCPVYRKZ-UHFFFAOYSA-N 1 0 394.483 1.262 20 0 GDADRO COc1cccc([C@H](CNC(=O)c2cc(-c3nn[nH]n3)cn2C)[NH+]2CCCC2)c1 ZINC000821857819 606273805 /nfs/dbraw/zinc/27/38/05/606273805.db2.gz ASCDFWYTAJKWDM-SFHVURJKSA-N 1 0 395.467 1.781 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000820717770 606292675 /nfs/dbraw/zinc/29/26/75/606292675.db2.gz WDXSJAOONLXKGP-HNNXBMFYSA-N 1 0 379.468 1.942 20 0 GDADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000820530289 606300308 /nfs/dbraw/zinc/30/03/08/606300308.db2.gz ZNAMDKCCTPSQIY-SJKOYZFVSA-N 1 0 376.486 1.188 20 0 GDADRO O=C1[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823505005 606321785 /nfs/dbraw/zinc/32/17/85/606321785.db2.gz WUGBWSTVKCTQAE-HIFRSBDPSA-N 1 0 387.513 1.594 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821182299 606330358 /nfs/dbraw/zinc/33/03/58/606330358.db2.gz UJMAJNZEANCUIG-TZMCWYRMSA-N 1 0 375.502 1.450 20 0 GDADRO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000821650573 606331068 /nfs/dbraw/zinc/33/10/68/606331068.db2.gz UUFUDZQJVVKRFQ-MAUKXSAKSA-N 1 0 384.484 1.889 20 0 GDADRO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1-c1nn[nH]n1 ZINC000823578238 606379178 /nfs/dbraw/zinc/37/91/78/606379178.db2.gz KJKQHCHLEXRRKC-UHFFFAOYSA-N 1 0 398.492 1.941 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCNc2ncccc2-c2nn[nH]n2)C[C@@H]1C ZINC000821252817 606383677 /nfs/dbraw/zinc/38/36/77/606383677.db2.gz CENOYVLLGBOTDL-UONOGXRCSA-N 1 0 387.492 1.188 20 0 GDADRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823577861 606387979 /nfs/dbraw/zinc/38/79/79/606387979.db2.gz BWKUZGNXMYUJOQ-UHFFFAOYSA-N 1 0 398.492 1.941 20 0 GDADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000821001159 606391613 /nfs/dbraw/zinc/39/16/13/606391613.db2.gz PFOQQOONYRGCBR-LSDHHAIUSA-N 1 0 399.503 1.332 20 0 GDADRO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821584712 606398278 /nfs/dbraw/zinc/39/82/78/606398278.db2.gz PLQFCJOIAWZVAZ-UHFFFAOYSA-N 1 0 391.451 1.573 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCCN1CCC([NH+](C)C)CC1 ZINC000822337403 606403215 /nfs/dbraw/zinc/40/32/15/606403215.db2.gz XWDLQFAGARDSTF-UHFFFAOYSA-N 1 0 380.500 1.583 20 0 GDADRO CN(C)C(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821575629 606479707 /nfs/dbraw/zinc/47/97/07/606479707.db2.gz JLGFGIAIIBDGIC-UHFFFAOYSA-N 1 0 380.399 1.768 20 0 GDADRO CCC(CC)[C@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)[NH+]1CCOCC1 ZINC000820893331 606523895 /nfs/dbraw/zinc/52/38/95/606523895.db2.gz NSHVXPGXPOYYQA-SFHVURJKSA-N 1 0 386.500 1.662 20 0 GDADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)s3)c2)CC1 ZINC000821627215 606533095 /nfs/dbraw/zinc/53/30/95/606533095.db2.gz RUFYULHFQDLDCM-UHFFFAOYSA-N 1 0 383.481 1.928 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820684200 606542150 /nfs/dbraw/zinc/54/21/50/606542150.db2.gz MZWVEXJRAAIAGV-IRXDYDNUSA-N 1 0 397.527 1.426 20 0 GDADRO C[NH+]1CCN(C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)s2)c2ccccc2)CC1 ZINC000821626850 606548673 /nfs/dbraw/zinc/54/86/73/606548673.db2.gz BFRHVILEHZZFGC-OAHLLOKOSA-N 1 0 397.508 1.647 20 0 GDADRO CN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000821621705 606558623 /nfs/dbraw/zinc/55/86/23/606558623.db2.gz CODNXXKCROHZTE-SFHVURJKSA-N 1 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CC(C)[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nc2ccccc2[nH]1 ZINC000820026621 606639034 /nfs/dbraw/zinc/63/90/34/606639034.db2.gz KVHURUUCHGZKMH-LRDDRELGSA-N 1 0 392.471 1.968 20 0 GDADRO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)COC1CCOCC1 ZINC000820087626 606705451 /nfs/dbraw/zinc/70/54/51/606705451.db2.gz UPVGGEFJJOUUMP-SFHVURJKSA-N 1 0 389.500 1.881 20 0 GDADRO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822205977 606727637 /nfs/dbraw/zinc/72/76/37/606727637.db2.gz PIDUDINBVHCXTK-HZPDHXFCSA-N 1 0 390.451 1.495 20 0 GDADRO COc1cc(C[N@@H+]2CC[C@@H](Nc3nccnc3-c3nn[nH]n3)C2)cc(OC)c1 ZINC000821716614 606728066 /nfs/dbraw/zinc/72/80/66/606728066.db2.gz BZGDLIJNBQKKLZ-CYBMUJFWSA-N 1 0 382.428 1.360 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821575823 606728979 /nfs/dbraw/zinc/72/89/79/606728979.db2.gz QTVFOFUJQDBMQH-UHFFFAOYSA-N 1 0 397.405 1.486 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000821575499 606729467 /nfs/dbraw/zinc/72/94/67/606729467.db2.gz DXELSYVLQUZWTH-UHFFFAOYSA-N 1 0 397.405 1.486 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000821180734 606737627 /nfs/dbraw/zinc/73/76/27/606737627.db2.gz GLZIXDDDLZLOIA-SNVBAGLBSA-N 1 0 379.852 1.305 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821587260 606745599 /nfs/dbraw/zinc/74/55/99/606745599.db2.gz NVEQWRPANXXHJW-UHFFFAOYSA-N 1 0 376.442 1.212 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)c2ccccc2O1 ZINC000821584824 606758767 /nfs/dbraw/zinc/75/87/67/606758767.db2.gz UMGVOYFPMAQGHX-MRXNPFEDSA-N 1 0 393.451 1.634 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)[NH+](C)C ZINC000735692002 606763036 /nfs/dbraw/zinc/76/30/36/606763036.db2.gz RINCYUVZEFNOHV-INIZCTEOSA-N 1 0 375.452 1.241 20 0 GDADRO COc1ccc(OCC[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000821841388 606778903 /nfs/dbraw/zinc/77/89/03/606778903.db2.gz 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C[C@H](c1ccccc1)[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)CC(N)=O ZINC000822005084 606883481 /nfs/dbraw/zinc/88/34/81/606883481.db2.gz ODNDWBMYZDMEFQ-CQSZACIVSA-N 1 0 393.451 1.744 20 0 GDADRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820016485 606891123 /nfs/dbraw/zinc/89/11/23/606891123.db2.gz MSGDZQJIIFZOCJ-RDTXWAMCSA-N 1 0 386.500 1.773 20 0 GDADRO COc1ccnc(N2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000821903362 606895434 /nfs/dbraw/zinc/89/54/34/606895434.db2.gz FUFNDNAXKQTYFV-UHFFFAOYSA-N 1 0 395.467 1.861 20 0 GDADRO COCC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821690234 606897992 /nfs/dbraw/zinc/89/79/92/606897992.db2.gz BAZXVNXXWXNVAP-KRWDZBQOSA-N 1 0 397.435 1.777 20 0 GDADRO COC(=O)C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821657017 606921307 /nfs/dbraw/zinc/92/13/07/606921307.db2.gz FIDWJRVZOBRPDV-AWEZNQCLSA-N 1 0 386.456 1.100 20 0 GDADRO CCc1nnc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1CC 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NEVYPCKRKLOSGP-GXFFZTMASA-N 1 0 380.242 1.840 20 0 GDADRO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820995025 607063757 /nfs/dbraw/zinc/06/37/57/607063757.db2.gz MQUITTBEDHYJJA-QGZVFWFLSA-N 1 0 384.463 1.799 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000821700709 607071944 /nfs/dbraw/zinc/07/19/44/607071944.db2.gz VLYFFTPGQGYITC-LSDHHAIUSA-N 1 0 386.456 1.197 20 0 GDADRO Cc1sc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c1C ZINC000822557947 607105493 /nfs/dbraw/zinc/10/54/93/607105493.db2.gz KYWNHXXQMPWERS-UONOGXRCSA-N 1 0 389.529 1.900 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000822224153 607127893 /nfs/dbraw/zinc/12/78/93/607127893.db2.gz XXORZEWEJKHNPU-GUTXKFCHSA-N 1 0 392.529 1.820 20 0 GDADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000823257422 607154049 /nfs/dbraw/zinc/15/40/49/607154049.db2.gz MFSBQKYALSKCKE-QZTJIDSGSA-N 1 0 399.499 1.434 20 0 GDADRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C[C@H]1N1CCOCC1 ZINC000820994943 607177440 /nfs/dbraw/zinc/17/74/40/607177440.db2.gz LQGVNSJPEOEAHO-MAUKXSAKSA-N 1 0 399.499 1.238 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000821583097 607197245 /nfs/dbraw/zinc/19/72/45/607197245.db2.gz IOGHEVFPOWNPEB-UHFFFAOYSA-N 1 0 392.895 1.668 20 0 GDADRO C[C@H](Cc1ccsc1)[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824464614 607815075 /nfs/dbraw/zinc/81/50/75/607815075.db2.gz INGLRIMQMXWLPU-GFCCVEGCSA-N 1 0 377.495 1.923 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824941670 607815345 /nfs/dbraw/zinc/81/53/45/607815345.db2.gz ZJVYELYFZJITJM-PBHICJAKSA-N 1 0 393.513 1.825 20 0 GDADRO C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)N1CCCC[C@H]1C ZINC000824938566 607815423 /nfs/dbraw/zinc/81/54/23/607815423.db2.gz VGQBRRZYCQAFEL-HUUCEWRRSA-N 1 0 392.529 1.493 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476814 607818332 /nfs/dbraw/zinc/81/83/32/607818332.db2.gz PRSTUVDWXBTMLO-QBPKDAKJSA-N 1 0 380.452 1.519 20 0 GDADRO C[C@@H]1COCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000825006723 607832454 /nfs/dbraw/zinc/83/24/54/607832454.db2.gz OMZKSOVWJUXTOB-NSHDSACASA-N 1 0 376.486 1.714 20 0 GDADRO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)[C@H]2C1 ZINC000826145608 607858298 /nfs/dbraw/zinc/85/82/98/607858298.db2.gz JSKDFEUVHKOJSK-IXDOHACOSA-N 1 0 386.456 1.464 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000825972289 607995015 /nfs/dbraw/zinc/99/50/15/607995015.db2.gz ZHRHEALUJWJPDZ-UHFFFAOYSA-N 1 0 386.504 1.034 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000826407263 607996947 /nfs/dbraw/zinc/99/69/47/607996947.db2.gz HEWWEHPFXIAXLX-UHFFFAOYSA-N 1 0 394.439 1.118 20 0 GDADRO O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)NC1CC[NH+](C2CC2)CC1 ZINC000826486170 608001877 /nfs/dbraw/zinc/00/18/77/608001877.db2.gz RNHNWNZZGAXSGJ-UHFFFAOYSA-N 1 0 380.449 1.052 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3cccs3)[nH]n2)c1-c1nn[nH]n1 ZINC000826077897 608020093 /nfs/dbraw/zinc/02/00/93/608020093.db2.gz ZDTFHJXOXDKSMK-UHFFFAOYSA-N 1 0 398.456 1.446 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2cccc(F)c2)c1-c1nn[nH]n1 ZINC000826073595 608020289 /nfs/dbraw/zinc/02/02/89/608020289.db2.gz YJTRYWNRWFKJBJ-LLVKDONJSA-N 1 0 386.435 1.698 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C(C)(C)C)nn2C)c1-c1nn[nH]n1 ZINC000826077348 608020483 /nfs/dbraw/zinc/02/04/83/608020483.db2.gz FBCOQWYINFYIJL-UHFFFAOYSA-N 1 0 386.464 1.025 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)nc3onc(C)c32)c1-c1nn[nH]n1 ZINC000826077433 608020610 /nfs/dbraw/zinc/02/06/10/608020610.db2.gz HYFIAVYQHWWJAX-UHFFFAOYSA-N 1 0 396.415 1.147 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(OC)ccc2OC)c1-c1nn[nH]n1 ZINC000826077390 608022183 /nfs/dbraw/zinc/02/21/83/608022183.db2.gz GTODRKOGKRKZLV-UHFFFAOYSA-N 1 0 386.416 1.011 20 0 GDADRO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824776617 608035378 /nfs/dbraw/zinc/03/53/78/608035378.db2.gz DDDWODGFLBQAPH-JTQLQIEISA-N 1 0 395.431 1.243 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[N@H+](C)[C@@H](C)C1 ZINC000824978943 608041754 /nfs/dbraw/zinc/04/17/54/608041754.db2.gz YNZCCUFPZRYBQK-QWRGUYRKSA-N 1 0 375.502 1.380 20 0 GDADRO C[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000824899327 608042960 /nfs/dbraw/zinc/04/29/60/608042960.db2.gz JFVDYJDKHWGKBC-RYUDHWBXSA-N 1 0 390.513 1.981 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC000824893974 608064286 /nfs/dbraw/zinc/06/42/86/608064286.db2.gz WGAJSBVFSPTKCM-XOKHGSTOSA-N 1 0 385.472 1.432 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC000824977816 608065426 /nfs/dbraw/zinc/06/54/26/608065426.db2.gz SIYGQWPMXDLDCQ-FHLIZLRMSA-N 1 0 399.499 1.678 20 0 GDADRO CS[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000826227598 608088204 /nfs/dbraw/zinc/08/82/04/608088204.db2.gz UFLAUICCFIMNOP-ZIAGYGMSSA-N 1 0 395.920 1.436 20 0 GDADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000826227103 608088645 /nfs/dbraw/zinc/08/86/45/608088645.db2.gz LTAUQQYHMIAZPI-KCPJHIHWSA-N 1 0 375.502 1.171 20 0 GDADRO CS[C@@H]1CN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000826227272 608088778 /nfs/dbraw/zinc/08/87/78/608088778.db2.gz OOHRCUMYTJQKTR-UONOGXRCSA-N 1 0 395.920 1.436 20 0 GDADRO CS[C@@H]1CN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000826227273 608088901 /nfs/dbraw/zinc/08/89/01/608088901.db2.gz OOHRCUMYTJQKTR-ZIAGYGMSSA-N 1 0 395.920 1.436 20 0 GDADRO Cc1c(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cccc1-c1nn[nH]n1 ZINC000826242072 608119869 /nfs/dbraw/zinc/11/98/69/608119869.db2.gz YJRJZCVSHFLNGL-RDTXWAMCSA-N 1 0 398.515 1.665 20 0 GDADRO 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CS(=O)(=O)CC1CCC([NH2+]Cc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000551174839 650600601 /nfs/dbraw/zinc/60/06/01/650600601.db2.gz GQYYTQLVOLSRRF-UHFFFAOYSA-N 1 0 377.503 1.922 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000552499057 650628000 /nfs/dbraw/zinc/62/80/00/650628000.db2.gz RMNXOOLSBCJGRJ-CYBMUJFWSA-N 1 0 386.949 1.502 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCC(F)(F)F ZINC000553827767 650659283 /nfs/dbraw/zinc/65/92/83/650659283.db2.gz UZCNZCOSQHPSND-WDEREUQCSA-N 1 0 381.420 1.655 20 0 GDADRO CC(C)[NH+](CCNC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)C(C)C ZINC000554451240 650675177 /nfs/dbraw/zinc/67/51/77/650675177.db2.gz UKESDUNTAACOGW-INIZCTEOSA-N 1 0 376.567 1.418 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)c1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000554702721 650680203 /nfs/dbraw/zinc/68/02/03/650680203.db2.gz AOLAEYRVIWGCOA-GFCCVEGCSA-N 1 0 384.318 1.909 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000554822110 650681984 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380.576 1.525 20 0 GDADRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCS1(=O)=O ZINC000556264582 650701159 /nfs/dbraw/zinc/70/11/59/650701159.db2.gz QVUMLIVRQIPGSO-UMSGYPCISA-N 1 0 384.464 1.929 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3F)C2)CC1 ZINC000556362392 650703441 /nfs/dbraw/zinc/70/34/41/650703441.db2.gz NROUVKSNXAMRLI-CQSZACIVSA-N 1 0 375.897 1.880 20 0 GDADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000557183052 650720312 /nfs/dbraw/zinc/72/03/12/650720312.db2.gz DJVGZBMPZMMCRV-VHSXEESVSA-N 1 0 380.923 1.072 20 0 GDADRO CC[N@H+](CC(=O)NC[C@H](Oc1ccc(Br)cc1)C(=O)OC)C1CC1 ZINC000557205301 650721304 /nfs/dbraw/zinc/72/13/04/650721304.db2.gz FVBLTNLVGZRZFC-HNNXBMFYSA-N 1 0 399.285 1.970 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000557357067 650723623 /nfs/dbraw/zinc/72/36/23/650723623.db2.gz RKRGMSCCPMTWAB-AAEUAGOBSA-N 1 0 398.301 1.673 20 0 GDADRO 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645875253 /nfs/dbraw/zinc/87/52/53/645875253.db2.gz GXIMHYLUOCLKAL-GUTXKFCHSA-N 1 0 381.270 1.905 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000415511631 645895743 /nfs/dbraw/zinc/89/57/43/645895743.db2.gz QDGQTIOQVSPTPV-VIFPVBQESA-N 1 0 384.267 2.137 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417727877 645907227 /nfs/dbraw/zinc/90/72/27/645907227.db2.gz LXZLMGZEBMBNLQ-SNVBAGLBSA-N 1 0 379.262 1.724 20 0 GDADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@H]1C[NH2+]CCO1 ZINC000417736462 645907374 /nfs/dbraw/zinc/90/73/74/645907374.db2.gz MQRARLOVVHYMRE-SNVBAGLBSA-N 1 0 382.770 1.420 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000418846542 645909729 /nfs/dbraw/zinc/90/97/29/645909729.db2.gz SAWGHPGBGBKEDI-UGSOOPFHSA-N 1 0 394.313 1.851 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000419178877 645913503 /nfs/dbraw/zinc/91/35/03/645913503.db2.gz CKFIBNPURMOVRR-LBPRGKRZSA-N 1 0 382.302 1.711 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000419181912 645914166 /nfs/dbraw/zinc/91/41/66/645914166.db2.gz BRINPUIYQAOYBT-JSGCOSHPSA-N 1 0 382.302 1.551 20 0 GDADRO [NH3+]CCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC000419372112 645914625 /nfs/dbraw/zinc/91/46/25/645914625.db2.gz KHIKCAGLCJVALV-UHFFFAOYSA-N 1 0 382.302 1.842 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419397064 645915018 /nfs/dbraw/zinc/91/50/18/645915018.db2.gz DRMADVMIDQLNDB-LLVKDONJSA-N 1 0 375.256 1.223 20 0 GDADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419401657 645916197 /nfs/dbraw/zinc/91/61/97/645916197.db2.gz ODFMPTXNEWWYHK-SKDRFNHKSA-N 1 0 375.256 1.127 20 0 GDADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419484238 645919641 /nfs/dbraw/zinc/91/96/41/645919641.db2.gz WMCUQIFMXLJDCV-LKFCYVNXSA-N 1 0 386.265 1.489 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)C[C@H]1[NH3+] ZINC000419465484 645919832 /nfs/dbraw/zinc/91/98/32/645919832.db2.gz UFOTWAXTTPMTIZ-BXUZGUMPSA-N 1 0 380.286 1.403 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCc1cc(Cl)ccc1Br ZINC000419488858 645920244 /nfs/dbraw/zinc/92/02/44/645920244.db2.gz CKEBXBXCFJWKHG-CYBMUJFWSA-N 1 0 390.709 1.861 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCc2cc(Cl)ccc2Br)C1 ZINC000419506210 645921473 /nfs/dbraw/zinc/92/14/73/645921473.db2.gz WOJBYEOLKQSFDO-LBPRGKRZSA-N 1 0 388.693 1.582 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1cccc(Br)c1 ZINC000419521557 645922468 /nfs/dbraw/zinc/92/24/68/645922468.db2.gz KETXAJIDNIITGC-CQSZACIVSA-N 1 0 382.302 1.696 20 0 GDADRO Cc1nc(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)sc1Br ZINC000419525675 645922893 /nfs/dbraw/zinc/92/28/93/645922893.db2.gz SCELSAODSYDEQV-NXEZZACHSA-N 1 0 391.335 1.811 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccccc2Br)C1 ZINC000419605948 645923427 /nfs/dbraw/zinc/92/34/27/645923427.db2.gz FGINEVYDWYJXEW-NEPJUHHUSA-N 1 0 384.274 1.153 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)Oc1ccccc1Br ZINC000419606923 645924057 /nfs/dbraw/zinc/92/40/57/645924057.db2.gz GKRKCAWWQZLLMI-QWHCGFSZSA-N 1 0 398.301 1.448 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccccc2Br)C1 ZINC000419608457 645924989 /nfs/dbraw/zinc/92/49/89/645924989.db2.gz HYNGNTPXHZQJJV-QWHCGFSZSA-N 1 0 398.301 1.401 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000419608649 645925020 /nfs/dbraw/zinc/92/50/20/645925020.db2.gz IGNBLTKAOFFZIV-STQMWFEESA-N 1 0 398.301 1.448 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000419642509 645925525 /nfs/dbraw/zinc/92/55/25/645925525.db2.gz MBGQMDBEEHPXPW-ZIAGYGMSSA-N 1 0 384.274 1.030 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C[C@H]1[NH3+] ZINC000419766921 645930750 /nfs/dbraw/zinc/93/07/50/645930750.db2.gz ZMXISZUUPCPPNU-UEKVPHQBSA-N 1 0 385.295 1.494 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000419868014 645932315 /nfs/dbraw/zinc/93/23/15/645932315.db2.gz VILXCKFJLLQDQZ-WFASDCNBSA-N 1 0 395.301 1.623 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000419870186 645932628 /nfs/dbraw/zinc/93/26/28/645932628.db2.gz WRHYVIXVGFOGGS-LLVKDONJSA-N 1 0 398.276 1.589 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1)C1CC1 ZINC000420055407 645933605 /nfs/dbraw/zinc/93/36/05/645933605.db2.gz GPVFSIWALGARAR-GFCCVEGCSA-N 1 0 386.315 1.855 20 0 GDADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419876475 645933639 /nfs/dbraw/zinc/93/36/39/645933639.db2.gz VTALTWSTMNDPGN-GFCCVEGCSA-N 1 0 387.311 1.534 20 0 GDADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419876805 645933705 /nfs/dbraw/zinc/93/37/05/645933705.db2.gz IFUDMZNJDIAFAO-OCCSQVGLSA-N 1 0 396.285 1.599 20 0 GDADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420068367 645934820 /nfs/dbraw/zinc/93/48/20/645934820.db2.gz UNWBCYDFFYXAQR-CYBMUJFWSA-N 1 0 388.693 1.914 20 0 GDADRO [NH3+]Cc1ccc(CNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cc1 ZINC000570841688 651058538 /nfs/dbraw/zinc/05/85/38/651058538.db2.gz JJTCWEYOMSWJBG-UHFFFAOYSA-N 1 0 375.372 1.960 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000420159710 645937046 /nfs/dbraw/zinc/93/70/46/645937046.db2.gz IIHLHQJDZWQPKF-YGRLFVJLSA-N 1 0 386.265 1.803 20 0 GDADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC[NH2+]CCOC ZINC000420185290 645937560 /nfs/dbraw/zinc/93/75/60/645937560.db2.gz OYNBTJVJYDTJDW-UHFFFAOYSA-N 1 0 376.284 1.694 20 0 GDADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420193726 645939241 /nfs/dbraw/zinc/93/92/41/645939241.db2.gz JFJHRLQVDKZNAC-PWSUYJOCSA-N 1 0 386.279 1.544 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351623 645941571 /nfs/dbraw/zinc/94/15/71/645941571.db2.gz XRDHVUWCYPAAGX-BBRMVZONSA-N 1 0 381.318 1.756 20 0 GDADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000570910899 651059829 /nfs/dbraw/zinc/05/98/29/651059829.db2.gz JNAPESRBIATDPZ-TXEJJXNPSA-N 1 0 386.543 1.998 20 0 GDADRO CO[C@@H](Cc1ccccc1)CS(=O)(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000420739784 645960470 /nfs/dbraw/zinc/96/04/70/645960470.db2.gz ZJRLFPMLXFSSNY-KRWDZBQOSA-N 1 0 386.583 1.991 20 0 GDADRO CN(CCCNC(=O)C[NH2+][C@H](CC(F)F)c1ccccc1)S(C)(=O)=O ZINC000420988569 645978631 /nfs/dbraw/zinc/97/86/31/645978631.db2.gz ALVDTWRYTYPOCF-CQSZACIVSA-N 1 0 377.457 1.370 20 0 GDADRO C[N@@H+]1CC[C@H]1CNC(=O)NCCc1ccc(I)s1 ZINC000916308961 660190966 /nfs/dbraw/zinc/19/09/66/660190966.db2.gz RVUKGNGJBUYJSW-VIFPVBQESA-N 1 0 379.267 1.899 20 0 GDADRO COc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(Br)c1 ZINC000421299542 646002871 /nfs/dbraw/zinc/00/28/71/646002871.db2.gz NRWDQSCLFJKGHO-NSHDSACASA-N 1 0 384.274 1.949 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1nn(C)c(C)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000421791618 646022409 /nfs/dbraw/zinc/02/24/09/646022409.db2.gz JPXKSRCYHUJFRS-CYBMUJFWSA-N 1 0 390.937 1.353 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000422315555 646059453 /nfs/dbraw/zinc/05/94/53/646059453.db2.gz JHJPKCPVENJQFF-GXTWGEPZSA-N 1 0 382.302 1.973 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422551020 646077387 /nfs/dbraw/zinc/07/73/87/646077387.db2.gz CRZBMCVGAFMYSZ-KKUMJFAQSA-N 1 0 388.555 1.864 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000422624404 646084034 /nfs/dbraw/zinc/08/40/34/646084034.db2.gz ZIALJUDNLACOKT-ZDUSSCGKSA-N 1 0 383.290 1.981 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H](C)[NH3+] ZINC000422925053 646099759 /nfs/dbraw/zinc/09/97/59/646099759.db2.gz UYSFOLYAALNTCT-CZUORRHYSA-N 1 0 387.933 1.792 20 0 GDADRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000422924758 646099781 /nfs/dbraw/zinc/09/97/81/646099781.db2.gz BCUXZYAMWBTMLK-RYUDHWBXSA-N 1 0 391.946 1.623 20 0 GDADRO CC[C@H](C)NC(=O)CC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000916836869 660202602 /nfs/dbraw/zinc/20/26/02/660202602.db2.gz SWOXYWCENIWBLB-WCQYABFASA-N 1 0 390.937 1.599 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)c2cn(CCC[NH3+])nn2)cc1Br ZINC000422937180 646101370 /nfs/dbraw/zinc/10/13/70/646101370.db2.gz NSSGWWPHIPRIEV-SNVBAGLBSA-N 1 0 382.262 1.889 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000422993022 646106297 /nfs/dbraw/zinc/10/62/97/646106297.db2.gz DWAQEHMYQVJPDY-NUEKZKHPSA-N 1 0 394.313 1.993 20 0 GDADRO COC[C@]1(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[NH2+]C1 ZINC000423047282 646110265 /nfs/dbraw/zinc/11/02/65/646110265.db2.gz HABFBPNMVGXIMN-INIZCTEOSA-N 1 0 384.274 1.520 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC1 ZINC000423072677 646110987 /nfs/dbraw/zinc/11/09/87/646110987.db2.gz HMNXVBRXYKPTMW-UHFFFAOYSA-N 1 0 382.302 1.866 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000423126954 646115849 /nfs/dbraw/zinc/11/58/49/646115849.db2.gz BIFBDCXLZVRPSG-MNOVXSKESA-N 1 0 388.331 1.912 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)s1 ZINC000423157798 646116401 /nfs/dbraw/zinc/11/64/01/646116401.db2.gz VVSRKMWQFLUKBK-HIFRSBDPSA-N 1 0 387.571 1.825 20 0 GDADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423187445 646118531 /nfs/dbraw/zinc/11/85/31/646118531.db2.gz PMRUHQXKFFTWEK-CYBMUJFWSA-N 1 0 388.295 1.918 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C[C@@H]1C[NH3+] ZINC000423232774 646119357 /nfs/dbraw/zinc/11/93/57/646119357.db2.gz NELDSIPCZPTCRA-OCCSQVGLSA-N 1 0 394.313 1.777 20 0 GDADRO O=C(C(=O)N1CCc2c(Br)cccc2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423233473 646120141 /nfs/dbraw/zinc/12/01/41/646120141.db2.gz OLTIZFQDUUWCSA-GXTWGEPZSA-N 1 0 392.297 1.402 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423237828 646120626 /nfs/dbraw/zinc/12/06/26/646120626.db2.gz IRDKWDDGUFVMKA-QGZVFWFLSA-N 1 0 382.302 1.647 20 0 GDADRO C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)Oc1ccc(Br)cc1 ZINC000423239985 646121430 /nfs/dbraw/zinc/12/14/30/646121430.db2.gz GNRFZNVALKXAAQ-LLVKDONJSA-N 1 0 382.262 1.587 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C1 ZINC000423251864 646122596 /nfs/dbraw/zinc/12/25/96/646122596.db2.gz WTRZJUCXRSLHRJ-JSGCOSHPSA-N 1 0 382.302 1.646 20 0 GDADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423414844 646125307 /nfs/dbraw/zinc/12/53/07/646125307.db2.gz CPVJKONEVPSAEU-CYBMUJFWSA-N 1 0 397.317 1.071 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)C1 ZINC000423519442 646126809 /nfs/dbraw/zinc/12/68/09/646126809.db2.gz JHHKHUKGEJSIOQ-GFCCVEGCSA-N 1 0 385.295 1.592 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423534637 646129032 /nfs/dbraw/zinc/12/90/32/646129032.db2.gz WKIDHDXCKILSFT-DGCLKSJQSA-N 1 0 386.279 1.923 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)ccc(Cl)c3C2)C1 ZINC000423548870 646129124 /nfs/dbraw/zinc/12/91/24/646129124.db2.gz MZTDNGUFRWUOBC-SECBINFHSA-N 1 0 386.677 1.547 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423534636 646129130 /nfs/dbraw/zinc/12/91/30/646129130.db2.gz WKIDHDXCKILSFT-AAEUAGOBSA-N 1 0 386.279 1.923 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423560852 646130193 /nfs/dbraw/zinc/13/01/93/646130193.db2.gz PHJVLNHSMSEIFQ-NHYWBVRUSA-N 1 0 380.286 1.672 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)NC2CC([NH+](C)C)C2)c(C)c1NS(C)(=O)=O ZINC000916956182 660203829 /nfs/dbraw/zinc/20/38/29/660203829.db2.gz QDHCNZBVUDHASC-UHFFFAOYSA-N 1 0 389.543 1.354 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCSC[C@@H]2c2nccs2)CC1 ZINC000423576395 646132118 /nfs/dbraw/zinc/13/21/18/646132118.db2.gz XXUBKOIYESSJGL-CQSZACIVSA-N 1 0 382.555 1.608 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000423583629 646133797 /nfs/dbraw/zinc/13/37/97/646133797.db2.gz CGUCUDZFAQLWHS-CQSZACIVSA-N 1 0 397.317 1.951 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000423604055 646136540 /nfs/dbraw/zinc/13/65/40/646136540.db2.gz UTLXFSDMRUGUPD-CYBMUJFWSA-N 1 0 382.302 1.866 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000423625525 646138626 /nfs/dbraw/zinc/13/86/26/646138626.db2.gz FWEVZDQPNQQXBX-GXTWGEPZSA-N 1 0 380.286 1.572 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000423655303 646139815 /nfs/dbraw/zinc/13/98/15/646139815.db2.gz VFPORXQWEZIQKB-GOEBONIOSA-N 1 0 394.313 1.790 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000423690105 646143261 /nfs/dbraw/zinc/14/32/61/646143261.db2.gz NUWBOIJWDCDMPR-UHFFFAOYSA-N 1 0 386.265 1.757 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000423691291 646143297 /nfs/dbraw/zinc/14/32/97/646143297.db2.gz ISIYIZPUPONDJZ-VHSXEESVSA-N 1 0 378.420 1.849 20 0 GDADRO CN(C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000423945953 646145169 /nfs/dbraw/zinc/14/51/69/646145169.db2.gz HSZRYVLKCMWCTN-CYBMUJFWSA-N 1 0 394.324 1.858 20 0 GDADRO C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C[C@H]1[NH3+] ZINC000423950616 646145770 /nfs/dbraw/zinc/14/57/70/646145770.db2.gz LLNFZRLVQLEUGQ-ZWNOBZJWSA-N 1 0 375.288 1.170 20 0 GDADRO CN(C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H](C[NH3+])C1CC1 ZINC000423956590 646146368 /nfs/dbraw/zinc/14/63/68/646146368.db2.gz UUFIFCASZKDQSJ-AWEZNQCLSA-N 1 0 394.269 1.631 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C[C@H]1[NH3+] ZINC000423968108 646147734 /nfs/dbraw/zinc/14/77/34/646147734.db2.gz YJJLSHLOAAXZQZ-MLGOLLRUSA-N 1 0 379.507 1.646 20 0 GDADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](CCSC)NS(=O)(=O)CC ZINC000423979527 646148315 /nfs/dbraw/zinc/14/83/15/646148315.db2.gz PEZXTUQNJCPRBA-JKSUJKDBSA-N 1 0 387.571 1.426 20 0 GDADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](CCSC)NS(=O)(=O)CC ZINC000423979526 646148453 /nfs/dbraw/zinc/14/84/53/646148453.db2.gz PEZXTUQNJCPRBA-HZPDHXFCSA-N 1 0 387.571 1.426 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000424053682 646156619 /nfs/dbraw/zinc/15/66/19/646156619.db2.gz FIBCPVRDIUXDIC-UHFFFAOYSA-N 1 0 379.258 1.765 20 0 GDADRO CS(=O)(=O)CCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000424175905 646161186 /nfs/dbraw/zinc/16/11/86/646161186.db2.gz VYGAGSLOBPABLF-UHFFFAOYSA-N 1 0 399.332 1.011 20 0 GDADRO CN1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1=O ZINC000424185690 646161215 /nfs/dbraw/zinc/16/12/15/646161215.db2.gz HBZXNIGKUIHCPJ-GFCCVEGCSA-N 1 0 378.274 1.988 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)COc3ccc(F)cc3Br)C[C@H]2[NH3+])cn1 ZINC000424248441 646172239 /nfs/dbraw/zinc/17/22/39/646172239.db2.gz XKIVXNMIJBTZRO-GXTWGEPZSA-N 1 0 397.248 1.654 20 0 GDADRO CC(C)CN(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000437421720 646209111 /nfs/dbraw/zinc/20/91/11/646209111.db2.gz WEEVYKVVTGKZET-UHFFFAOYSA-N 1 0 376.548 1.256 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000437523489 646211211 /nfs/dbraw/zinc/21/12/11/646211211.db2.gz CSWWKCJLAPPYIK-CQSZACIVSA-N 1 0 390.575 1.298 20 0 GDADRO CNC(=O)N[C@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439446626 646233953 /nfs/dbraw/zinc/23/39/53/646233953.db2.gz DQRHWSZGQBRUOL-STQMWFEESA-N 1 0 390.253 1.331 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 ZINC000440082154 646238674 /nfs/dbraw/zinc/23/86/74/646238674.db2.gz RDYCDVZUTFYROI-GFCCVEGCSA-N 1 0 395.522 1.596 20 0 GDADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000440075309 646238895 /nfs/dbraw/zinc/23/88/95/646238895.db2.gz HZCBLRSIVBHALG-ZDUSSCGKSA-N 1 0 389.543 1.136 20 0 GDADRO COc1cc(S(=O)(=O)NCC2([NH3+])CCC2)c(OC)cc1Br ZINC000440739533 646253854 /nfs/dbraw/zinc/25/38/54/646253854.db2.gz BIVGNVKICCLMPL-UHFFFAOYSA-N 1 0 379.276 1.626 20 0 GDADRO C[N@@H+]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000442607828 646275626 /nfs/dbraw/zinc/27/56/26/646275626.db2.gz ILVOOKPPMDDUNM-UHFFFAOYSA-N 1 0 392.884 1.105 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1 ZINC000917527273 660214966 /nfs/dbraw/zinc/21/49/66/660214966.db2.gz DKRRSNXJJNARQX-UHFFFAOYSA-N 1 0 376.906 1.862 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000917535356 660215285 /nfs/dbraw/zinc/21/52/85/660215285.db2.gz DYZJSOLLFYCJJX-UHFFFAOYSA-N 1 0 382.313 1.902 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000917654947 660218650 /nfs/dbraw/zinc/21/86/50/660218650.db2.gz KCOOTOVGGZZCJC-OAHLLOKOSA-N 1 0 375.535 1.359 20 0 GDADRO O=C(NC1CC[NH+](CCO)CC1)NC1(c2ncc(Br)cn2)CCC1 ZINC000917843895 660222475 /nfs/dbraw/zinc/22/24/75/660222475.db2.gz SYAUYKOBZCVQSW-UHFFFAOYSA-N 1 0 398.305 1.374 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1 ZINC000917889088 660223625 /nfs/dbraw/zinc/22/36/25/660223625.db2.gz BLHXXDOJEKLJEO-UHFFFAOYSA-N 1 0 387.933 1.354 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3c(Cl)cccc3Cl)C2)CC1 ZINC000917903231 660224381 /nfs/dbraw/zinc/22/43/81/660224381.db2.gz IAIZEQRDRKPRMA-UHFFFAOYSA-N 1 0 378.325 1.861 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)COCCc1ccc(Br)cc1 ZINC000896221922 658758509 /nfs/dbraw/zinc/75/85/09/658758509.db2.gz KLLXSPXWJHQABA-OAHLLOKOSA-N 1 0 398.345 1.760 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CCO1 ZINC000903487645 659317380 /nfs/dbraw/zinc/31/73/80/659317380.db2.gz FCMJVTQCQJBGJS-RNCFNFMXSA-N 1 0 388.287 1.667 20 0 GDADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000912815879 660055131 /nfs/dbraw/zinc/05/51/31/660055131.db2.gz READYSHZCAVJSU-HUUCEWRRSA-N 1 0 387.571 1.995 20 0 GDADRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)Cc3cccc(S(C)(=O)=O)c3)C[C@@]2(C)C1 ZINC000918370511 660234914 /nfs/dbraw/zinc/23/49/14/660234914.db2.gz XTVOOAGNGMEXQC-IAGOWNOFSA-N 1 0 386.539 1.194 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000918947861 660243486 /nfs/dbraw/zinc/24/34/86/660243486.db2.gz RUADNEXNLLTGIX-CQSZACIVSA-N 1 0 395.294 1.665 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)C1 ZINC000918974356 660244204 /nfs/dbraw/zinc/24/42/04/660244204.db2.gz ZLHYDWKSUUGDRJ-WNSKOXEYSA-N 1 0 381.564 1.050 20 0 GDADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000442959379 647165853 /nfs/dbraw/zinc/16/58/53/647165853.db2.gz YZTDNJXFWPYDQD-SECBINFHSA-N 1 0 378.292 1.167 20 0 GDADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)s1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000443315046 647199514 /nfs/dbraw/zinc/19/95/14/647199514.db2.gz CQIPFCMBDWPYKQ-OPRDCNLKSA-N 1 0 395.344 1.853 20 0 GDADRO C[C@H](CO)[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@H](C)O ZINC000443332919 647201138 /nfs/dbraw/zinc/20/11/38/647201138.db2.gz OKZOOMNUDBUWLT-UHIISALHSA-N 1 0 380.254 1.392 20 0 GDADRO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)S(N)(=O)=O ZINC000443504999 647213632 /nfs/dbraw/zinc/21/36/32/647213632.db2.gz YARTYAHMAWJIFY-KBPBESRZSA-N 1 0 388.559 1.497 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCC(=O)NC1CC1 ZINC000920179413 660266629 /nfs/dbraw/zinc/26/66/29/660266629.db2.gz GCZZLPPXHAHITK-CYBMUJFWSA-N 1 0 388.921 1.353 20 0 GDADRO Cc1cc(Br)cc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000444071486 647238861 /nfs/dbraw/zinc/23/88/61/647238861.db2.gz MBJPHFNWQAIKRU-UHFFFAOYSA-N 1 0 377.304 1.493 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)C[C@]1(C)CC1(Cl)Cl)C2 ZINC000920273188 660268210 /nfs/dbraw/zinc/26/82/10/660268210.db2.gz DHPRONKAPOVVFD-MRLBHPIUSA-N 1 0 399.384 1.969 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC(=O)N=S(C)(C)=O)[C@H]1c1cccs1 ZINC000920283134 660269008 /nfs/dbraw/zinc/26/90/08/660269008.db2.gz WKQHTZSRHWWFGP-DOMZBBRYSA-N 1 0 386.543 1.684 20 0 GDADRO C[C@H](NC(=S)NC1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000920310818 660270003 /nfs/dbraw/zinc/27/00/03/660270003.db2.gz FVJRWKWFSVHEFU-ZDUSSCGKSA-N 1 0 384.571 1.556 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000445553250 647269900 /nfs/dbraw/zinc/26/99/00/647269900.db2.gz 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Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(Br)c1 ZINC000453804421 647337446 /nfs/dbraw/zinc/33/74/46/647337446.db2.gz HNYZYONHACULMG-CYBMUJFWSA-N 1 0 398.301 1.659 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000453816252 647339587 /nfs/dbraw/zinc/33/95/87/647339587.db2.gz IJFLGNFPMLTFMM-HNNXBMFYSA-N 1 0 398.301 1.659 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)NCc2nn(C)cc2I)CC[N@@H+]1C ZINC000454637873 647359102 /nfs/dbraw/zinc/35/91/02/647359102.db2.gz GRGMTMKEINETPI-UWVGGRQHSA-N 1 0 391.257 1.307 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 ZINC000455825320 647388956 /nfs/dbraw/zinc/38/89/56/647388956.db2.gz PSXYSOZZFRMODN-CYBMUJFWSA-N 1 0 375.466 1.708 20 0 GDADRO CC(C)(CCS(=O)(=O)NC1CCC(C)([NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000921271124 660285402 /nfs/dbraw/zinc/28/54/02/660285402.db2.gz CKWAXTNZYANRMV-UHFFFAOYSA-N 1 0 394.603 1.916 20 0 GDADRO OC[C@@]1(O)CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000459643343 647462425 /nfs/dbraw/zinc/46/24/25/647462425.db2.gz 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ZINC000462876324 647546527 /nfs/dbraw/zinc/54/65/27/647546527.db2.gz DLAVFMMEUICDDJ-UONOGXRCSA-N 1 0 378.523 1.494 20 0 GDADRO COC(=O)C[C@]1([NH2+]CC(=O)N[C@H](C)c2ccc(Br)cc2)CCOC1 ZINC000464597049 647585238 /nfs/dbraw/zinc/58/52/38/647585238.db2.gz UCJRBKJJJGFGDW-SJKOYZFVSA-N 1 0 399.285 1.938 20 0 GDADRO CNC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000466930958 647623513 /nfs/dbraw/zinc/62/35/13/647623513.db2.gz NJBHGLPBJBBHQN-LLVKDONJSA-N 1 0 387.253 1.920 20 0 GDADRO CCn1c2ccc(S(=O)(=O)NC[C@@]3([NH+](C)C)CCSC3)cc2oc1=O ZINC000467079067 647630584 /nfs/dbraw/zinc/63/05/84/647630584.db2.gz LWEXWFWFIMOJPW-INIZCTEOSA-N 1 0 385.511 1.330 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)c2cccnc2)s1 ZINC000921482040 660304007 /nfs/dbraw/zinc/30/40/07/660304007.db2.gz BUQDSDGYIFBYEC-CYBMUJFWSA-N 1 0 383.495 1.901 20 0 GDADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000470462711 647727237 /nfs/dbraw/zinc/72/72/37/647727237.db2.gz ZHKWOWNTIAMROR-OAHLLOKOSA-N 1 0 397.317 1.119 20 0 GDADRO C[NH+](C)CCOCCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000471659274 647750547 /nfs/dbraw/zinc/75/05/47/647750547.db2.gz QATVMEGIDAYQFR-AWEZNQCLSA-N 1 0 399.333 1.905 20 0 GDADRO CCOC(=O)c1ccc(F)c(S(=O)(=O)NC[C@H](C[NH+](C)C)OCC)c1 ZINC000921631059 660316551 /nfs/dbraw/zinc/31/65/51/660316551.db2.gz IRVAWEILSPKOIP-CYBMUJFWSA-N 1 0 376.450 1.247 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1ccc(OC)cc1Br)C[NH+](C)C ZINC000921635331 660317390 /nfs/dbraw/zinc/31/73/90/660317390.db2.gz WPXTWIUAVVAVEA-GFCCVEGCSA-N 1 0 395.319 1.703 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNCc2nc(Br)c[nH]2)c1 ZINC000921670720 660321339 /nfs/dbraw/zinc/32/13/39/660321339.db2.gz KJVKPHIOQWAHDW-UHFFFAOYSA-N 1 0 380.290 1.753 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000479956369 647839009 /nfs/dbraw/zinc/83/90/09/647839009.db2.gz YNVZWISNLDVDTM-SMDDNHRTSA-N 1 0 398.301 1.845 20 0 GDADRO COCCN(C)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480264351 647842464 /nfs/dbraw/zinc/84/24/64/647842464.db2.gz LBJMTZPGUMXTBL-CQSZACIVSA-N 1 0 391.331 1.835 20 0 GDADRO O=S1(=O)CC[C@@H]([NH2+]CCCOCCO)c2cc(Br)ccc21 ZINC000480688697 647852411 /nfs/dbraw/zinc/85/24/11/647852411.db2.gz IYDHVBODKZJBOJ-CYBMUJFWSA-N 1 0 378.288 1.656 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000480758575 647855382 /nfs/dbraw/zinc/85/53/82/647855382.db2.gz SFPLXBUFHAJZNY-UHFFFAOYSA-N 1 0 388.555 1.881 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCSCC(F)(F)F ZINC000480866318 647859655 /nfs/dbraw/zinc/85/96/55/647859655.db2.gz QHDSUOMSOQXMNE-UHFFFAOYSA-N 1 0 388.481 1.635 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccsc1 ZINC000480913807 647860398 /nfs/dbraw/zinc/86/03/98/647860398.db2.gz VRXTUIYQOVJOIN-OAHLLOKOSA-N 1 0 380.539 1.946 20 0 GDADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000481188609 647871288 /nfs/dbraw/zinc/87/12/88/647871288.db2.gz JCQDPJGYTIAUTI-ZBFHGGJFSA-N 1 0 377.576 1.134 20 0 GDADRO CCCN(CC[NH+]1CCCCC1)C(=O)NCCCN(C)S(=O)(=O)CC ZINC000481236910 647872995 /nfs/dbraw/zinc/87/29/95/647872995.db2.gz LLEORJNZOLAXFU-UHFFFAOYSA-N 1 0 376.567 1.566 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1OC ZINC000481345076 647875072 /nfs/dbraw/zinc/87/50/72/647875072.db2.gz MJYLOOCHRILMDI-MRXNPFEDSA-N 1 0 388.511 1.197 20 0 GDADRO COC(=O)c1cc(C)c(C)c(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000481345923 647875099 /nfs/dbraw/zinc/87/50/99/647875099.db2.gz WBOAHJXIULJRJP-KRWDZBQOSA-N 1 0 386.539 1.806 20 0 GDADRO COC(=O)c1cnc([C@H]2CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)s1 ZINC000921731343 660327572 /nfs/dbraw/zinc/32/75/72/660327572.db2.gz CWJPFAKAOYYAGE-ZDUSSCGKSA-N 1 0 387.527 1.535 20 0 GDADRO O=C(C1CCCCC1)N1CCN(CC[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921736440 660328506 /nfs/dbraw/zinc/32/85/06/660328506.db2.gz GSSGLQLENWDECB-UHFFFAOYSA-N 1 0 398.349 1.986 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000487829028 647955131 /nfs/dbraw/zinc/95/51/31/647955131.db2.gz BAOGSZYKDMOQGD-NSHDSACASA-N 1 0 397.950 1.153 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000489256709 647973538 /nfs/dbraw/zinc/97/35/38/647973538.db2.gz PTEPWFAGNMWWQX-MRXNPFEDSA-N 1 0 397.317 1.071 20 0 GDADRO COC(=O)CN(C)C(=O)CC[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494276274 648004189 /nfs/dbraw/zinc/00/41/89/648004189.db2.gz HFCORQYEHGJCKB-UHFFFAOYSA-N 1 0 393.303 1.326 20 0 GDADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000494969832 648008760 /nfs/dbraw/zinc/00/87/60/648008760.db2.gz GGHRVGUXAOTIGQ-ZDUSSCGKSA-N 1 0 377.869 1.404 20 0 GDADRO CC1(C)NC(=O)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000495013859 648009588 /nfs/dbraw/zinc/00/95/88/648009588.db2.gz ADMCJGOKYBPLPM-CYBMUJFWSA-N 1 0 377.869 1.404 20 0 GDADRO COc1ccc(CNC(=O)c2sccc2C[NH+](C)C)cc1S(N)(=O)=O ZINC000495191943 648010946 /nfs/dbraw/zinc/01/09/46/648010946.db2.gz NBJKFZJCYHNKSC-UHFFFAOYSA-N 1 0 383.495 1.396 20 0 GDADRO CCCS(=O)(=O)Nc1cccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000495622760 648014579 /nfs/dbraw/zinc/01/45/79/648014579.db2.gz YPMGTGQPKCXCJN-JKSUJKDBSA-N 1 0 385.555 1.956 20 0 GDADRO CS[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[C@H]1[NH+](C)C ZINC000495711134 648015087 /nfs/dbraw/zinc/01/50/87/648015087.db2.gz CLHRJWWLRHYVPD-ZJUUUORDSA-N 1 0 397.975 1.184 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)[C@H]1CCC[NH2+]C1 ZINC000497354607 648026335 /nfs/dbraw/zinc/02/63/35/648026335.db2.gz JQEFFKHNXBJTIR-NEPJUHHUSA-N 1 0 394.946 1.551 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[C@H]1[NH3+] ZINC000497366957 648028030 /nfs/dbraw/zinc/02/80/30/648028030.db2.gz QJXGHYHKLPCZFJ-GXFFZTMASA-N 1 0 376.320 1.873 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000498195014 648050396 /nfs/dbraw/zinc/05/03/96/648050396.db2.gz ICTZFDIRZFEDJP-GFCCVEGCSA-N 1 0 381.832 1.155 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000498450187 648058100 /nfs/dbraw/zinc/05/81/00/648058100.db2.gz OBDONZXXBVLECS-UHFFFAOYSA-N 1 0 384.274 1.998 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000498892913 648069290 /nfs/dbraw/zinc/06/92/90/648069290.db2.gz RONXNHYXBXLXIS-ZDUSSCGKSA-N 1 0 388.555 1.660 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000499569383 648084805 /nfs/dbraw/zinc/08/48/05/648084805.db2.gz FLDBJJSUWROTKK-UHFFFAOYSA-N 1 0 381.278 1.921 20 0 GDADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000500712043 648116012 /nfs/dbraw/zinc/11/60/12/648116012.db2.gz IMLABSHIHNTPTP-GFCCVEGCSA-N 1 0 375.922 1.901 20 0 GDADRO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000500822590 648120123 /nfs/dbraw/zinc/12/01/23/648120123.db2.gz PSTWRAPZIAJPSP-UHFFFAOYSA-N 1 0 389.905 1.358 20 0 GDADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000500914654 648123017 /nfs/dbraw/zinc/12/30/17/648123017.db2.gz PUOPEDIPPCHWLS-UHFFFAOYSA-N 1 0 389.905 1.166 20 0 GDADRO CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000501032314 648125903 /nfs/dbraw/zinc/12/59/03/648125903.db2.gz CSYQFQRFMJVNNL-ZFWWWQNUSA-N 1 0 383.539 1.577 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)NCCS(=O)(=O)NC1CC1)c1ccsc1 ZINC000501131624 648130575 /nfs/dbraw/zinc/13/05/75/648130575.db2.gz PTKCICROBFCNCQ-HNNXBMFYSA-N 1 0 388.559 1.512 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(CCNC(C)=O)s2)C[C@H]1[NH+](C)C ZINC000503242566 648183249 /nfs/dbraw/zinc/18/32/49/648183249.db2.gz DOIIUHPOEASTMH-KGLIPLIRSA-N 1 0 391.584 1.093 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc(Br)cc2S(N)(=O)=O)C1 ZINC000503258583 648184213 /nfs/dbraw/zinc/18/42/13/648184213.db2.gz YSCOYZKCIVFNOA-WDEREUQCSA-N 1 0 377.308 1.776 20 0 GDADRO O=S(=O)(NCC[NH2+]C1CCN(CCC(F)(F)F)CC1)c1cccnc1 ZINC000507462781 648245786 /nfs/dbraw/zinc/24/57/86/648245786.db2.gz PXNSARFOTVTCRO-UHFFFAOYSA-N 1 0 380.436 1.366 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)CCCO1 ZINC000507456266 648245828 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1.997 20 0 GDADRO C[C@H]1CN(C)C[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512885480 648417128 /nfs/dbraw/zinc/41/71/28/648417128.db2.gz QEIODEQJRLGZPR-JSGCOSHPSA-N 1 0 390.347 1.657 20 0 GDADRO CCCC[N@H+](C)CCNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000513185749 648424821 /nfs/dbraw/zinc/42/48/21/648424821.db2.gz XKDBYJFMCRVDFI-UHFFFAOYSA-N 1 0 387.933 1.816 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000513567529 648434893 /nfs/dbraw/zinc/43/48/93/648434893.db2.gz GJMBORHSCHKSIK-VYDXJSESSA-N 1 0 388.555 1.689 20 0 GDADRO CCCN(CC[NH+](C)C)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000513593974 648436215 /nfs/dbraw/zinc/43/62/15/648436215.db2.gz KDJKICUUUHGISP-UHFFFAOYSA-N 1 0 389.543 1.183 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000514939553 648472547 /nfs/dbraw/zinc/47/25/47/648472547.db2.gz SLWHCIVDCOKHDE-VHSXEESVSA-N 1 0 389.237 1.780 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000514939545 648472668 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375.441 1.219 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000571732858 651081529 /nfs/dbraw/zinc/08/15/29/651081529.db2.gz OFNWRCXCIYPUBC-ZDUSSCGKSA-N 1 0 384.527 1.813 20 0 GDADRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cc2c(c(Br)c1)OCO2 ZINC000572032654 651088636 /nfs/dbraw/zinc/08/86/36/651088636.db2.gz VZEISKOBDHLKNU-OAHLLOKOSA-N 1 0 382.214 1.352 20 0 GDADRO CN(CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000572244575 651093014 /nfs/dbraw/zinc/09/30/14/651093014.db2.gz ZKZHZVZYKFKDME-MNOVXSKESA-N 1 0 377.919 1.090 20 0 GDADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000572602846 651099897 /nfs/dbraw/zinc/09/98/97/651099897.db2.gz WPBWVLULFUFFGP-CQSZACIVSA-N 1 0 388.559 1.461 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000572615217 651100424 /nfs/dbraw/zinc/10/04/24/651100424.db2.gz UNWRLMTZEIKZEG-ZDUSSCGKSA-N 1 0 385.917 1.791 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 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IIYXEMUKFNLAPO-GFCCVEGCSA-N 1 0 381.523 1.872 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@]2(CCSC2)C1)c1cccs1 ZINC000574079091 651515042 /nfs/dbraw/zinc/51/50/42/651515042.db2.gz IWYIQFNZKNNZGW-CXAGYDPISA-N 1 0 383.539 1.202 20 0 GDADRO COC(=O)C[C@@](C)([NH2+]C[C@](C)(O)C(=O)OC)c1ccc(Br)cc1 ZINC000574117645 651516906 /nfs/dbraw/zinc/51/69/06/651516906.db2.gz RKOPUHYJLVDITE-CVEARBPZSA-N 1 0 388.258 1.741 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000574311195 651531991 /nfs/dbraw/zinc/53/19/91/651531991.db2.gz BKRXIPNNFZENOH-WDEREUQCSA-N 1 0 394.269 1.549 20 0 GDADRO COCC[NH2+]CC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000574319187 651532535 /nfs/dbraw/zinc/53/25/35/651532535.db2.gz MPTMJIURJWMYQK-UHFFFAOYSA-N 1 0 388.281 1.468 20 0 GDADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2nc3c(cccc3Br)[nH]2)C[C@@H](C)O1 ZINC000574393869 651537920 /nfs/dbraw/zinc/53/79/20/651537920.db2.gz XREIVFZWLSHMQP-UPJWGTAASA-N 1 0 397.317 1.885 20 0 GDADRO 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CC[NH2+]CCCNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000576346359 651655740 /nfs/dbraw/zinc/65/57/40/651655740.db2.gz NKKXYAZZYDGAGZ-UHFFFAOYSA-N 1 0 377.304 1.480 20 0 GDADRO C[NH+](C)CCN1C(=O)C[C@@H](N2CC[C@H](c3cccc(Br)c3)C2)C1=O ZINC000576429221 651663164 /nfs/dbraw/zinc/66/31/64/651663164.db2.gz ODUGZRDXVPBHBN-GOEBONIOSA-N 1 0 394.313 1.928 20 0 GDADRO O=C(Nc1ccc(C(F)(F)F)c(Br)c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000576609837 651676127 /nfs/dbraw/zinc/67/61/27/651676127.db2.gz PTCUJBODWDTNFQ-VROVMSAKSA-N 1 0 392.175 1.740 20 0 GDADRO O[C@@H](C[NH2+]CCc1ccc(I)s1)Cn1cccn1 ZINC000576628440 651677181 /nfs/dbraw/zinc/67/71/81/651677181.db2.gz YSLFSDGCDIFISL-JTQLQIEISA-N 1 0 377.251 1.742 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000576628524 651677848 /nfs/dbraw/zinc/67/78/48/651677848.db2.gz AWESVTQFBNRDJP-UHFFFAOYSA-N 1 0 377.557 1.213 20 0 GDADRO COC(=O)c1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)cn1C ZINC000576908541 651695094 /nfs/dbraw/zinc/69/50/94/651695094.db2.gz QYOUOVFJVRWSOC-UHFFFAOYSA-N 1 0 385.873 1.533 20 0 GDADRO O=C(COc1ccc(Br)cc1F)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000576965290 651697802 /nfs/dbraw/zinc/69/78/02/651697802.db2.gz WKIRMMMZFSTYBQ-INIZCTEOSA-N 1 0 387.249 1.540 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000576985881 651698959 /nfs/dbraw/zinc/69/89/59/651698959.db2.gz BAOBKMAZPRSVIQ-NXEZZACHSA-N 1 0 382.258 1.979 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000576985884 651699171 /nfs/dbraw/zinc/69/91/71/651699171.db2.gz BAOBKMAZPRSVIQ-ZJUUUORDSA-N 1 0 382.258 1.979 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1Cl ZINC000577100741 651706414 /nfs/dbraw/zinc/70/64/14/651706414.db2.gz DCBPCIDBPPWRAC-CYBMUJFWSA-N 1 0 381.889 1.536 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1OC ZINC000577108221 651706938 /nfs/dbraw/zinc/70/69/38/651706938.db2.gz XSGDVBQVCDCBIT-ZWNOBZJWSA-N 1 0 390.889 1.931 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000577511764 651734155 /nfs/dbraw/zinc/73/41/55/651734155.db2.gz AOZWDQPQOYAPTN-CHWSQXEVSA-N 1 0 390.502 1.239 20 0 GDADRO CC[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)[N@H+](C)Cc1ccccc1 ZINC000577515743 651734691 /nfs/dbraw/zinc/73/46/91/651734691.db2.gz VQABOUVFMHZUBE-HNNXBMFYSA-N 1 0 381.523 1.922 20 0 GDADRO C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)Oc1ccccc1Br ZINC000577593082 651740092 /nfs/dbraw/zinc/74/00/92/651740092.db2.gz PELDBDKJTFHNQO-QWHCGFSZSA-N 1 0 386.290 1.894 20 0 GDADRO CC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000577646178 651745243 /nfs/dbraw/zinc/74/52/43/651745243.db2.gz HGEQZWJQTKGRBS-MRXNPFEDSA-N 1 0 384.318 1.520 20 0 GDADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc(Br)c(F)cc1F ZINC000577744297 651749433 /nfs/dbraw/zinc/74/94/33/651749433.db2.gz JCWLEUXQFOQGGD-HNNXBMFYSA-N 1 0 375.213 1.914 20 0 GDADRO CC[NH+](CC)CCN(C(=O)Cc1cnccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000577862554 651759341 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CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)O1 ZINC000578232179 651782788 /nfs/dbraw/zinc/78/27/88/651782788.db2.gz KOOFFHGMPXVKOS-XUJVJEKNSA-N 1 0 391.295 1.959 20 0 GDADRO CC[NH2+]CCCNC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC000578321721 651789604 /nfs/dbraw/zinc/78/96/04/651789604.db2.gz WXKKVUORJUEKAU-UHFFFAOYSA-N 1 0 377.304 1.890 20 0 GDADRO CN1CC[NH+](C[C@H](O)CNc2ccc(I)cc2)CC1 ZINC000578350848 651792045 /nfs/dbraw/zinc/79/20/45/651792045.db2.gz ZYPBYXPHNABAGQ-CQSZACIVSA-N 1 0 375.254 1.311 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000578359153 651792460 /nfs/dbraw/zinc/79/24/60/651792460.db2.gz SEKUIFBHCSZVCB-QGZVFWFLSA-N 1 0 386.539 1.471 20 0 GDADRO Cc1ccc(CS(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000578358507 651792471 /nfs/dbraw/zinc/79/24/71/651792471.db2.gz FAXYMVIWXAKZGP-HNNXBMFYSA-N 1 0 379.448 1.559 20 0 GDADRO Cc1ccc(CS(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000578358509 651792617 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20 0 GDADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000579837860 651879474 /nfs/dbraw/zinc/87/94/74/651879474.db2.gz VMEXKCRONRRBSS-CHWSQXEVSA-N 1 0 390.889 1.562 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000579935307 651886496 /nfs/dbraw/zinc/88/64/96/651886496.db2.gz BWVCUMZTWIMTPL-GOEBONIOSA-N 1 0 397.317 1.706 20 0 GDADRO [NH3+]CC[C@@H]1CCCCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000579942755 651886977 /nfs/dbraw/zinc/88/69/77/651886977.db2.gz BXBBHDJXRDYCOR-ZDUSSCGKSA-N 1 0 393.285 1.889 20 0 GDADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000580072476 651893378 /nfs/dbraw/zinc/89/33/78/651893378.db2.gz JABATUOOWUNFMJ-NWDGAFQWSA-N 1 0 393.481 1.405 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000580117632 651898094 /nfs/dbraw/zinc/89/80/94/651898094.db2.gz QYKQTLAKLJMHIJ-GFCCVEGCSA-N 1 0 389.905 1.879 20 0 GDADRO O=C(NCc1nc2cc(Br)ccc2o1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000580317646 651911851 /nfs/dbraw/zinc/91/18/51/651911851.db2.gz TUYFADYCSRGRHN-ZDUSSCGKSA-N 1 0 379.258 1.596 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000580339307 651913740 /nfs/dbraw/zinc/91/37/40/651913740.db2.gz SDTXLFNEPLAFAU-UHFFFAOYSA-N 1 0 389.880 1.408 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000580426926 651915901 /nfs/dbraw/zinc/91/59/01/651915901.db2.gz WRUQLIYFMJULEH-WDEREUQCSA-N 1 0 377.919 1.232 20 0 GDADRO O=C(CC[NH2+]CCCn1cc(CO)nn1)Nc1cccc(Br)c1 ZINC000580431601 651915965 /nfs/dbraw/zinc/91/59/65/651915965.db2.gz TWUYJXASZRYRGZ-UHFFFAOYSA-N 1 0 382.262 1.541 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000580436158 651916209 /nfs/dbraw/zinc/91/62/09/651916209.db2.gz SLOLGPUYQFHYPZ-LSDHHAIUSA-N 1 0 389.539 1.801 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000580575414 651927282 /nfs/dbraw/zinc/92/72/82/651927282.db2.gz SDBXMPXSTMVTGX-UHFFFAOYSA-N 1 0 388.383 1.971 20 0 GDADRO C[C@@]1(C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC[NH2+]1 ZINC000580647719 651931587 /nfs/dbraw/zinc/93/15/87/651931587.db2.gz QQBVVOBFJCYDEN-HNNXBMFYSA-N 1 0 391.946 1.767 20 0 GDADRO Cc1ccc(I)cc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000580821487 651941388 /nfs/dbraw/zinc/94/13/88/651941388.db2.gz DFJBNVXHEKHFAV-GFCCVEGCSA-N 1 0 388.253 1.706 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000580828792 651942462 /nfs/dbraw/zinc/94/24/62/651942462.db2.gz LQLFOMSGSGYCGO-ZIAGYGMSSA-N 1 0 380.432 1.622 20 0 GDADRO Ic1cnc(CN2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000580920032 651947807 /nfs/dbraw/zinc/94/78/07/651947807.db2.gz QWDVPFXRZCBRJN-LLVKDONJSA-N 1 0 393.294 1.902 20 0 GDADRO Cc1c(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)cnn1-c1ccc(Cl)cc1 ZINC000580952802 651950174 /nfs/dbraw/zinc/95/01/74/651950174.db2.gz VWWXOPFMLCUULO-OAHLLOKOSA-N 1 0 383.905 1.016 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000581133182 651961050 /nfs/dbraw/zinc/96/10/50/651961050.db2.gz UGBIOMLYINEDIJ-UWVGGRQHSA-N 1 0 380.297 1.528 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Cl)c4ccccc43)CCN2C1=O ZINC000581499985 651979055 /nfs/dbraw/zinc/97/90/55/651979055.db2.gz ZFYWVFVOBOOUEL-XHDPSFHLSA-N 1 0 379.869 1.426 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000581944612 651981406 /nfs/dbraw/zinc/98/14/06/651981406.db2.gz CMPGTPYYZAAPED-WDEREUQCSA-N 1 0 389.315 1.983 20 0 GDADRO CSC1(CNC(=O)NCc2ccc(S(N)(=O)=O)s2)CC[NH+](C)CC1 ZINC000582392987 651993601 /nfs/dbraw/zinc/99/36/01/651993601.db2.gz GUTAJMCYUSWKPQ-UHFFFAOYSA-N 1 0 392.572 1.022 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000582405594 651994185 /nfs/dbraw/zinc/99/41/85/651994185.db2.gz LTVFQLQHDNWFMI-LSDHHAIUSA-N 1 0 390.937 1.570 20 0 GDADRO C[C@H]1CN(Cc2cn(-c3ccccc3Br)nn2)CC[N@@H+]1CCO ZINC000582458558 651997575 /nfs/dbraw/zinc/99/75/75/651997575.db2.gz RSIUXZNSNKQEFM-ZDUSSCGKSA-N 1 0 380.290 1.528 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)N(C)CCC[N@H+](C)CCN(C)C)c1 ZINC000582507755 652000710 /nfs/dbraw/zinc/00/07/10/652000710.db2.gz BFLISNFNBLHRRP-UHFFFAOYSA-N 1 0 377.938 1.853 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000582536473 652002719 /nfs/dbraw/zinc/00/27/19/652002719.db2.gz QAYBQGUYUZQTGX-BYCMXARLSA-N 1 0 380.286 1.537 20 0 GDADRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000582542466 652003323 /nfs/dbraw/zinc/00/33/23/652003323.db2.gz XHQXQYPJQZJOKA-CQSZACIVSA-N 1 0 385.507 1.828 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2sccc2Br)CC12CCOCC2 ZINC000582546478 652003935 /nfs/dbraw/zinc/00/39/35/652003935.db2.gz UIPVFMDKEIVZOG-SNVBAGLBSA-N 1 0 395.344 1.887 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)CC2 ZINC000582723845 652011044 /nfs/dbraw/zinc/01/10/44/652011044.db2.gz QNVHUSPCBSAIPW-MRXNPFEDSA-N 1 0 394.313 1.901 20 0 GDADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@H]12 ZINC000582827235 652017535 /nfs/dbraw/zinc/01/75/35/652017535.db2.gz ZGJRXTCYYREHFZ-TXEJJXNPSA-N 1 0 376.210 1.809 20 0 GDADRO Cc1nn(C)c(NC(=O)C(=O)NC2C[NH2+]C2)c1-c1ccc(Br)cc1 ZINC000582952523 652021571 /nfs/dbraw/zinc/02/15/71/652021571.db2.gz KVRHEUNLQPYSCV-UHFFFAOYSA-N 1 0 392.257 1.185 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000583015076 652022761 /nfs/dbraw/zinc/02/27/61/652022761.db2.gz MYQQEESVKAFFAY-UHFFFAOYSA-N 1 0 386.949 1.550 20 0 GDADRO Cc1cccc(I)c1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000583323450 652035225 /nfs/dbraw/zinc/03/52/25/652035225.db2.gz QQSJCFCNHCSCNZ-ZDUSSCGKSA-N 1 0 399.276 1.719 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(Br)c2C)C1 ZINC000583703988 652045949 /nfs/dbraw/zinc/04/59/49/652045949.db2.gz QNFKJSZKGNQVBL-AWEZNQCLSA-N 1 0 398.301 1.211 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1S(=O)(=O)N1CCCCC1 ZINC000584113538 652054836 /nfs/dbraw/zinc/05/48/36/652054836.db2.gz WQTWSXLPQZSQLS-KGLIPLIRSA-N 1 0 389.543 1.184 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000584395147 652067827 /nfs/dbraw/zinc/06/78/27/652067827.db2.gz GHQXWTALORFOLN-JQWIXIFHSA-N 1 0 375.288 1.561 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000584395149 652068281 /nfs/dbraw/zinc/06/82/81/652068281.db2.gz GHQXWTALORFOLN-ZYHUDNBSSA-N 1 0 375.288 1.561 20 0 GDADRO COc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c(Br)c1 ZINC000584585218 652076739 /nfs/dbraw/zinc/07/67/39/652076739.db2.gz FQIGQIPNRAZNRU-GFCCVEGCSA-N 1 0 398.301 1.917 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000588754857 652100375 /nfs/dbraw/zinc/10/03/75/652100375.db2.gz URNAHAZBAMHTJN-LLVKDONJSA-N 1 0 377.869 1.345 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(CC(=O)Nc3ccc(I)cc3)[C@@H]2C1 ZINC000590010696 652124648 /nfs/dbraw/zinc/12/46/48/652124648.db2.gz BWVWFBVQMPCEQK-SMDDNHRTSA-N 1 0 385.249 1.866 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c(Br)cc1F ZINC000591296413 652159758 /nfs/dbraw/zinc/15/97/58/652159758.db2.gz JBXIAIXSSNXUBY-ZETCQYMHSA-N 1 0 390.209 1.119 20 0 GDADRO O=C(Nc1cccc(I)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591305276 652161179 /nfs/dbraw/zinc/16/11/79/652161179.db2.gz YVKIAOMXQDNEFJ-GXFFZTMASA-N 1 0 399.232 1.440 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccc(I)c2)CCO1 ZINC000592374696 652184051 /nfs/dbraw/zinc/18/40/51/652184051.db2.gz OPOOYRFMBHXRMQ-BXKDBHETSA-N 1 0 396.250 1.028 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1OC ZINC000592379763 652185015 /nfs/dbraw/zinc/18/50/15/652185015.db2.gz ODUKCXCKGVWTPG-CYBMUJFWSA-N 1 0 390.889 1.754 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c1OC ZINC000592384898 652186782 /nfs/dbraw/zinc/18/67/82/652186782.db2.gz GJELSKNXZXLVBX-CYBMUJFWSA-N 1 0 390.889 1.931 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000592389927 652188247 /nfs/dbraw/zinc/18/82/47/652188247.db2.gz ACZJCNFKVMZSQL-UWVGGRQHSA-N 1 0 384.351 1.470 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000592395490 652188893 /nfs/dbraw/zinc/18/88/93/652188893.db2.gz CJKZPKZVGUDYMQ-DTWKUNHWSA-N 1 0 379.276 1.640 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccccc1I ZINC000592547665 652193606 /nfs/dbraw/zinc/19/36/06/652193606.db2.gz JCBSNTKWCMFQIF-GFCCVEGCSA-N 1 0 388.205 1.268 20 0 GDADRO COCCN(C[C@H](O)C(F)(F)F)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000594245419 652275398 /nfs/dbraw/zinc/27/53/98/652275398.db2.gz URKZYLKLURDNAR-LBPRGKRZSA-N 1 0 387.468 1.395 20 0 GDADRO Cc1csc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1I ZINC000594394670 652281465 /nfs/dbraw/zinc/28/14/65/652281465.db2.gz ZCZTZOFSJJHMMM-VHSXEESVSA-N 1 0 392.262 1.552 20 0 GDADRO O=C(c1cc(I)ccc1F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394710 652281579 /nfs/dbraw/zinc/28/15/79/652281579.db2.gz ZHWNXGWGKBKJKF-WDEREUQCSA-N 1 0 390.196 1.321 20 0 GDADRO [NH3+]C[C@@H](NC(=O)COc1ccc(I)cc1)C(F)(F)F ZINC000594450456 652287787 /nfs/dbraw/zinc/28/77/87/652287787.db2.gz NOZNQYBWJQIDAT-SECBINFHSA-N 1 0 388.127 1.676 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1F ZINC000594455804 652289261 /nfs/dbraw/zinc/28/92/61/652289261.db2.gz MMZBDABYCQVMNK-SNVBAGLBSA-N 1 0 378.853 1.886 20 0 GDADRO COC(=O)c1ccc(N2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)s1 ZINC000594523372 652309424 /nfs/dbraw/zinc/30/94/24/652309424.db2.gz AHKTVKBHYYSOMH-SNVBAGLBSA-N 1 0 380.392 1.256 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000594645991 652341906 /nfs/dbraw/zinc/34/19/06/652341906.db2.gz KCSKREFDXDTDDM-CQSZACIVSA-N 1 0 383.539 1.747 20 0 GDADRO C[NH+]1CCN(Cc2cn(Cc3ccc(I)cc3)nn2)CC1 ZINC000594656936 652342482 /nfs/dbraw/zinc/34/24/82/652342482.db2.gz JZXPYXANIUZBSU-UHFFFAOYSA-N 1 0 397.264 1.678 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000594694521 652347568 /nfs/dbraw/zinc/34/75/68/652347568.db2.gz LJCHAXLOTMABQK-GJZGRUSLSA-N 1 0 383.539 1.502 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(c3ncc(Br)c4ccc(F)cc43)CCN2C1=O ZINC000594701908 652350592 /nfs/dbraw/zinc/35/05/92/652350592.db2.gz QKFXEXBOTWQWTC-IINYFYTJSA-N 1 0 379.233 1.885 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCCCc3ccc(Br)cc3)CCN2C1=O ZINC000594876931 652384522 /nfs/dbraw/zinc/38/45/22/652384522.db2.gz JIGGGTZUCZYWEG-HZPDHXFCSA-N 1 0 394.313 1.932 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCCCc3ccc(Br)cc3)CCN2C1=O ZINC000594876930 652384638 /nfs/dbraw/zinc/38/46/38/652384638.db2.gz JIGGGTZUCZYWEG-HOTGVXAUSA-N 1 0 394.313 1.932 20 0 GDADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594879344 652385320 /nfs/dbraw/zinc/38/53/20/652385320.db2.gz NALUTUCKPADUKY-JSGCOSHPSA-N 1 0 396.285 1.377 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000595102665 652391506 /nfs/dbraw/zinc/39/15/06/652391506.db2.gz RGDYYWKGONFBGN-JTQLQIEISA-N 1 0 377.260 1.218 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000595108716 652392763 /nfs/dbraw/zinc/39/27/63/652392763.db2.gz SSPVYAZNHARSMJ-UHFFFAOYSA-N 1 0 389.271 1.434 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000595111393 652393056 /nfs/dbraw/zinc/39/30/56/652393056.db2.gz JPOQZXSXDQQZDI-VIFPVBQESA-N 1 0 379.276 1.641 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000595112432 652393395 /nfs/dbraw/zinc/39/33/95/652393395.db2.gz FHVHCMGCSFMRHS-UHFFFAOYSA-N 1 0 379.276 1.594 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3ccc(Cl)cc3Br)CCN2C1=O ZINC000595234444 652399931 /nfs/dbraw/zinc/39/99/31/652399931.db2.gz CAWSDJPPCWIKTK-ONGXEEELSA-N 1 0 387.665 1.878 20 0 GDADRO COC(=O)[C@@H](c1ccccc1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000595891528 652425291 /nfs/dbraw/zinc/42/52/91/652425291.db2.gz IOSNYBQSEZTCED-CZUORRHYSA-N 1 0 382.302 1.643 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2sc3c(c2I)CNC3)CC[NH2+]1 ZINC000595951891 652429198 /nfs/dbraw/zinc/42/91/98/652429198.db2.gz VCPHVIFMETXLPA-SFYZADRCSA-N 1 0 391.278 1.826 20 0 GDADRO COC(=O)CCNC(=O)CC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000599009739 652477653 /nfs/dbraw/zinc/47/76/53/652477653.db2.gz XSLWYDKNLIJBQK-UHFFFAOYSA-N 1 0 383.246 1.256 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1F ZINC000599269144 652482470 /nfs/dbraw/zinc/48/24/70/652482470.db2.gz NBCAUSZERHNJET-NWDGAFQWSA-N 1 0 394.465 1.418 20 0 GDADRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000599568494 652508385 /nfs/dbraw/zinc/50/83/85/652508385.db2.gz SJNNXTOQPLZOGY-MEDUHNTESA-N 1 0 378.252 1.997 20 0 GDADRO COC(=O)Cc1csc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000599597142 652510399 /nfs/dbraw/zinc/51/03/99/652510399.db2.gz UUVMULYUPQRJLG-PSASIEDQSA-N 1 0 380.392 1.850 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)Nc1cc(Br)c(F)cc1C(=O)OC ZINC000599891565 652517055 /nfs/dbraw/zinc/51/70/55/652517055.db2.gz OJKOKIWOXVQWOJ-UHFFFAOYSA-N 1 0 390.209 1.121 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601346942 652568241 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20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(Cl)c(I)c1 ZINC000602554267 652641216 /nfs/dbraw/zinc/64/12/16/652641216.db2.gz ZYJYNHIKYLUXPU-SECBINFHSA-N 1 0 380.613 1.663 20 0 GDADRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602927654 652658067 /nfs/dbraw/zinc/65/80/67/652658067.db2.gz XSDXDXHDBCDRCV-SKDRFNHKSA-N 1 0 378.256 1.509 20 0 GDADRO Ic1cnc(N2CC[NH+](CCCn3ccnc3)CC2)nc1 ZINC000602958128 652662267 /nfs/dbraw/zinc/66/22/67/652662267.db2.gz ZFKNITAPTVVCMQ-UHFFFAOYSA-N 1 0 398.252 1.490 20 0 GDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000603350460 652704778 /nfs/dbraw/zinc/70/47/78/652704778.db2.gz IEIJYENRUVDXCC-GJZGRUSLSA-N 1 0 385.555 1.844 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000603640525 652727297 /nfs/dbraw/zinc/72/72/97/652727297.db2.gz VEUZFGTXXUFNBS-HRCADAONSA-N 1 0 375.535 1.359 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000603658507 652728005 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C[NH+](C)CCNC(=O)c1ccc(NC(=O)Cn2cc(Br)cn2)cc1 ZINC000613646231 652958783 /nfs/dbraw/zinc/95/87/83/652958783.db2.gz VPQYIBKXRDISKZ-UHFFFAOYSA-N 1 0 394.273 1.576 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3nn(C(C)(C)C)cc3Br)C2)CC1 ZINC000615281180 652962450 /nfs/dbraw/zinc/96/24/50/652962450.db2.gz MRMFHHUQQMZFMH-UHFFFAOYSA-N 1 0 398.349 1.720 20 0 GDADRO CCc1c(C(=O)N[C@@H](CO)C[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000614854303 652962701 /nfs/dbraw/zinc/96/27/01/652962701.db2.gz MRFYMFDBPUTYGU-CYBMUJFWSA-N 1 0 395.301 1.850 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000617358904 652973324 /nfs/dbraw/zinc/97/33/24/652973324.db2.gz JJFOCNXKQCXWKZ-RYUDHWBXSA-N 1 0 383.290 1.563 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000617768715 652976345 /nfs/dbraw/zinc/97/63/45/652976345.db2.gz RIEPPSIQWHABDW-UHFFFAOYSA-N 1 0 399.333 1.179 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000618197266 652980538 /nfs/dbraw/zinc/98/05/38/652980538.db2.gz DHLRCEWQTHONDS-UHFFFAOYSA-N 1 0 380.297 1.292 20 0 GDADRO CC(C)[C@@H](CNC(=O)CCn1cc(Br)cn1)[NH+]1CCN(C)CC1 ZINC000618374764 652982125 /nfs/dbraw/zinc/98/21/25/652982125.db2.gz KCMUQHRJRWMBEC-OAHLLOKOSA-N 1 0 386.338 1.424 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc(I)cn1 ZINC000618686215 652983970 /nfs/dbraw/zinc/98/39/70/652983970.db2.gz KGEBIGHECARJLD-NSHDSACASA-N 1 0 388.253 1.771 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(I)cc2)C1 ZINC000618923394 652984817 /nfs/dbraw/zinc/98/48/17/652984817.db2.gz IKGFKSYYAITGAG-HNNXBMFYSA-N 1 0 388.249 1.820 20 0 GDADRO Cn1nnnc1CC[NH2+]Cc1c(F)ccc(I)c1F ZINC000619428188 652988054 /nfs/dbraw/zinc/98/80/54/652988054.db2.gz KXCOOUXDWGUADB-UHFFFAOYSA-N 1 0 379.152 1.425 20 0 GDADRO NS(=O)(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC000620734182 652993016 /nfs/dbraw/zinc/99/30/16/652993016.db2.gz UDFFORTWSVEISX-CQSZACIVSA-N 1 0 383.539 1.687 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC[NH2+]1 ZINC000621148458 652996219 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C[C@H]1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)C[C@@H]1C[NH3+] ZINC000621665057 652998647 /nfs/dbraw/zinc/99/86/47/652998647.db2.gz OUJPSAQZTPJZSV-QWRGUYRKSA-N 1 0 379.262 1.482 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)s1 ZINC000621696259 652998977 /nfs/dbraw/zinc/99/89/77/652998977.db2.gz JNWOSUOWRVCLSP-CPUCHLNUSA-N 1 0 383.539 1.549 20 0 GDADRO CN(C(=O)c1cc(Br)c[nH]c1=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000621915316 653000262 /nfs/dbraw/zinc/00/02/62/653000262.db2.gz YXCQWEYCZLLMEI-AWEZNQCLSA-N 1 0 397.317 1.790 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000621975518 653000579 /nfs/dbraw/zinc/00/05/79/653000579.db2.gz KJXJJLOYVJAVRA-INIZCTEOSA-N 1 0 385.258 1.707 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000622010675 653000850 /nfs/dbraw/zinc/00/08/50/653000850.db2.gz SNBFUNVTBRFFHU-HZSPNIEDSA-N 1 0 385.555 1.802 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623023700 653003456 /nfs/dbraw/zinc/00/34/56/653003456.db2.gz RWTPKCVOMQCNNX-UHFFFAOYSA-N 1 0 379.262 1.591 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)N[C@H](C)CN1CCOCC1 ZINC000623424899 653003991 /nfs/dbraw/zinc/00/39/91/653003991.db2.gz JQTDFBCHMMYKFQ-LLVKDONJSA-N 1 0 387.278 1.373 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623507332 653005661 /nfs/dbraw/zinc/00/56/61/653005661.db2.gz FBKLEKVVZJQRSJ-UHFFFAOYSA-N 1 0 386.262 1.649 20 0 GDADRO CN(C)S(=O)(=O)N1CC(NCc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623795069 653007861 /nfs/dbraw/zinc/00/78/61/653007861.db2.gz KYRNWWWPXUNVFD-UHFFFAOYSA-N 1 0 385.383 1.347 20 0 GDADRO Cc1noc2ncc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)cc12 ZINC000624391430 653011876 /nfs/dbraw/zinc/01/18/76/653011876.db2.gz XIDLRLTZKGTKAO-BXKDBHETSA-N 1 0 378.376 1.679 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)c1cc(Br)sc1Cl ZINC000624395393 653012261 /nfs/dbraw/zinc/01/22/61/653012261.db2.gz VWDKPQAAKNHFSM-UHFFFAOYSA-N 1 0 377.713 1.678 20 0 GDADRO CCOCCNC(=O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795640 653045342 /nfs/dbraw/zinc/04/53/42/653045342.db2.gz YGWCYBNBHIOZRI-KRWDZBQOSA-N 1 0 385.302 1.411 20 0 GDADRO OC[C@@]1([NH2+]Cc2nnnn2C2CC2)CCc2cc(Br)ccc2C1 ZINC000625794393 653045358 /nfs/dbraw/zinc/04/53/58/653045358.db2.gz HUOLAYHJPURZJE-MRXNPFEDSA-N 1 0 378.274 1.780 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C1 ZINC000626829448 653061460 /nfs/dbraw/zinc/06/14/60/653061460.db2.gz OCHMKRLPKRXQAZ-LBPRGKRZSA-N 1 0 378.270 1.777 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1ccc(Br)cc1Cl ZINC000626879970 653062213 /nfs/dbraw/zinc/06/22/13/653062213.db2.gz WIQNHAQUFDYVDO-SECBINFHSA-N 1 0 376.638 1.146 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc3nccnc3c2Br)C[NH2+]1 ZINC000626893134 653063768 /nfs/dbraw/zinc/06/37/68/653063768.db2.gz KTCXETQGDTZEJR-VHSXEESVSA-N 1 0 392.257 1.588 20 0 GDADRO [NH3+]CCCOCCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000626893257 653063817 /nfs/dbraw/zinc/06/38/17/653063817.db2.gz 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1.667 20 0 GDADRO CCCN(C(=O)NCCNS(=O)(=O)c1ccc(C)s1)[C@H]1CC[N@H+](C)C1 ZINC000645379451 653602420 /nfs/dbraw/zinc/60/24/20/653602420.db2.gz FNQINFJMOMWGMM-AWEZNQCLSA-N 1 0 388.559 1.461 20 0 GDADRO CO[C@H](CS(=O)(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C(C)C ZINC000645505279 653603343 /nfs/dbraw/zinc/60/33/43/653603343.db2.gz HEDFUXGDNIGNLF-OKZBNKHCSA-N 1 0 375.579 1.478 20 0 GDADRO CO[C@@H](CS(=O)(=O)N1CCC(C[N@H+](C)C(C)C)CC1)C1CCOCC1 ZINC000645513576 653603530 /nfs/dbraw/zinc/60/35/30/653603530.db2.gz GXXPGCNOBGRTPX-SFHVURJKSA-N 1 0 376.563 1.810 20 0 GDADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000645563090 653604141 /nfs/dbraw/zinc/60/41/41/653604141.db2.gz WMAFVZYDUDJTDA-UHFFFAOYSA-N 1 0 381.420 1.832 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000645624617 653604972 /nfs/dbraw/zinc/60/49/72/653604972.db2.gz RRGZJAMWHPPJDU-AAEUAGOBSA-N 1 0 396.285 1.867 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(Br)s1 ZINC000645834522 653607213 /nfs/dbraw/zinc/60/72/13/653607213.db2.gz QWJNXWSDHQKHNJ-SECBINFHSA-N 1 0 396.332 1.251 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000645834685 653607253 /nfs/dbraw/zinc/60/72/53/653607253.db2.gz XCGYOSLBTZRSKZ-JTQLQIEISA-N 1 0 380.297 1.734 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000645835105 653607277 /nfs/dbraw/zinc/60/72/77/653607277.db2.gz HXELZAJCIMWHLM-SNVBAGLBSA-N 1 0 380.297 1.734 20 0 GDADRO COc1cc(CNC(=O)NCCNc2cc[nH+]cc2)c(Br)cc1O ZINC000645922186 653607845 /nfs/dbraw/zinc/60/78/45/653607845.db2.gz HPODCKAELCEKNH-UHFFFAOYSA-N 1 0 395.257 1.892 20 0 GDADRO C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCS1(=O)=O ZINC000646060679 653608777 /nfs/dbraw/zinc/60/87/77/653608777.db2.gz YVLXBNCKJKMWJZ-YNEHKIRRSA-N 1 0 384.464 1.931 20 0 GDADRO O=C(Cc1ccc(Br)cc1)CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000646088458 653608810 /nfs/dbraw/zinc/60/88/10/653608810.db2.gz MYLKTVMBYFRKLY-INIZCTEOSA-N 1 0 380.242 1.235 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000646419951 653610224 /nfs/dbraw/zinc/61/02/24/653610224.db2.gz CTECVAZSSAFSHA-NSHDSACASA-N 1 0 384.278 1.736 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000646513125 653610523 /nfs/dbraw/zinc/61/05/23/653610523.db2.gz LUKGYQPDUVDQCH-ZDUSSCGKSA-N 1 0 378.416 1.615 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)C3CC[NH2+]CC3)C2=O)ccc1Br ZINC000646516859 653610558 /nfs/dbraw/zinc/61/05/58/653610558.db2.gz OHVDOPVPVKVQRC-OAHLLOKOSA-N 1 0 380.286 1.979 20 0 GDADRO C[C@@]([NH3+])(C(=O)NC[C@@H](CO)Cc1cccnc1)c1ccc(Br)cc1 ZINC000646555351 653610736 /nfs/dbraw/zinc/61/07/36/653610736.db2.gz FVBPYROZBVUUIY-KSSFIOAISA-N 1 0 392.297 1.985 20 0 GDADRO C[C@H](C(=O)NC1CCC([NH3+])CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000646664835 653612167 /nfs/dbraw/zinc/61/21/67/653612167.db2.gz PBUDTEFJLOVFQE-OIKLOGQESA-N 1 0 394.269 1.820 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)[C@@H]1C[NH3+] ZINC000646772673 653613486 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385.917 1.616 20 0 GDADRO COc1cc(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000647233712 653623824 /nfs/dbraw/zinc/62/38/24/653623824.db2.gz CSPBJXIHUFKNLF-RNCFNFMXSA-N 1 0 379.276 1.194 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC[C@@H]1[NH3+] ZINC000647269754 653625033 /nfs/dbraw/zinc/62/50/33/653625033.db2.gz YZPXWDKKVRNTJI-RNCFNFMXSA-N 1 0 390.303 1.296 20 0 GDADRO CN(C1C[NH2+]C1)S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000647299497 653625531 /nfs/dbraw/zinc/62/55/31/653625531.db2.gz NIRNVTRZXYSOGC-UHFFFAOYSA-N 1 0 396.650 1.542 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000647323567 653626169 /nfs/dbraw/zinc/62/61/69/653626169.db2.gz ZBNCHZUYCLKHEN-YUELXQCFSA-N 1 0 385.555 1.955 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000647335580 653626368 /nfs/dbraw/zinc/62/63/68/653626368.db2.gz SDKXFSTVXRVCQV-KGLIPLIRSA-N 1 0 389.543 1.265 20 0 GDADRO O[C@@H](C[NH2+]CCCN1CCC(O)CC1)COc1cccc(Br)c1 ZINC000647517872 653627984 /nfs/dbraw/zinc/62/79/84/653627984.db2.gz QDPVMGKQVRUSSO-INIZCTEOSA-N 1 0 387.318 1.625 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000647595677 653629659 /nfs/dbraw/zinc/62/96/59/653629659.db2.gz YLLSSCFTXOGQLY-VWYCJHECSA-N 1 0 386.290 1.877 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000647790735 653634482 /nfs/dbraw/zinc/63/44/82/653634482.db2.gz IDEBGYMHDBYCRL-ZFWWWQNUSA-N 1 0 398.301 1.792 20 0 GDADRO CC1(OCC(=O)NC2(c3cccc(Br)c3)CCOCC2)C[NH2+]C1 ZINC000648016770 653637425 /nfs/dbraw/zinc/63/74/25/653637425.db2.gz BOBVRWFTHVXFSL-UHFFFAOYSA-N 1 0 383.286 1.950 20 0 GDADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648124115 653639330 /nfs/dbraw/zinc/63/93/30/653639330.db2.gz RNMZSGHKISIZJS-RISCZKNCSA-N 1 0 381.270 1.973 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000648122286 653639332 /nfs/dbraw/zinc/63/93/32/653639332.db2.gz QLQXTQVQNGCJOW-NWDGAFQWSA-N 1 0 390.303 1.114 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000648122105 653639340 /nfs/dbraw/zinc/63/93/40/653639340.db2.gz KDFGGMAFLNDWQS-GHMZBOCLSA-N 1 0 379.404 1.370 20 0 GDADRO COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000648147037 653640142 /nfs/dbraw/zinc/64/01/42/653640142.db2.gz ZXAWGIJBRGAYEY-SMDDNHRTSA-N 1 0 376.425 1.218 20 0 GDADRO CN1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)S1(=O)=O ZINC000648718453 653653386 /nfs/dbraw/zinc/65/33/86/653653386.db2.gz KMWFUUKIZGBBSD-INIZCTEOSA-N 1 0 385.917 1.455 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000649070625 653663172 /nfs/dbraw/zinc/66/31/72/653663172.db2.gz RVBDIHZCTRTULH-JTQLQIEISA-N 1 0 394.273 1.517 20 0 GDADRO C[C@@]([NH3+])(C(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000649278960 653666493 /nfs/dbraw/zinc/66/64/93/653666493.db2.gz OVYPGYQRHZZMQY-AEFFLSMTSA-N 1 0 396.329 1.946 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000649422438 653667431 /nfs/dbraw/zinc/66/74/31/653667431.db2.gz VHFKOHZMOANQBH-UHFFFAOYSA-N 1 0 376.320 1.116 20 0 GDADRO C[C@@H](CSc1ccccc1)N(C)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000649665322 653671373 /nfs/dbraw/zinc/67/13/73/653671373.db2.gz HXVRAWZBUOGMRG-HNNXBMFYSA-N 1 0 387.571 1.497 20 0 GDADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000650067781 653683311 /nfs/dbraw/zinc/68/33/11/653683311.db2.gz DDDYBKSFUNOIKR-CYBMUJFWSA-N 1 0 393.912 1.592 20 0 GDADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000650263033 653689310 /nfs/dbraw/zinc/68/93/10/653689310.db2.gz HVHNBJRUCDXBBT-KRWDZBQOSA-N 1 0 383.539 1.882 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1=O ZINC000650306539 653691147 /nfs/dbraw/zinc/69/11/47/653691147.db2.gz PWYXZYUTVAHCRM-AWEZNQCLSA-N 1 0 396.285 1.158 20 0 GDADRO CN(C)C(=O)C[NH+]1CCC(Nc2ncnc3cc(Br)sc32)CC1 ZINC000651311881 653819245 /nfs/dbraw/zinc/81/92/45/653819245.db2.gz WCAKMJXQDQZIMY-UHFFFAOYSA-N 1 0 398.330 2.418 20 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GDADRO O=C(Nc1cncc(Br)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654947153 653952371 /nfs/dbraw/zinc/95/23/71/653952371.db2.gz POJJITZYCCMCEC-KGLIPLIRSA-N 1 0 381.274 1.916 20 0 GDADRO O=C(Nc1cncc(Br)c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654947152 653952542 /nfs/dbraw/zinc/95/25/42/653952542.db2.gz POJJITZYCCMCEC-KBPBESRZSA-N 1 0 381.274 1.916 20 0 GDADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1c(F)ccc(Br)c1F ZINC000655073714 653957526 /nfs/dbraw/zinc/95/75/26/653957526.db2.gz DFSOWBCYDQASNR-OAHLLOKOSA-N 1 0 375.213 1.914 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655347235 653967241 /nfs/dbraw/zinc/96/72/41/653967241.db2.gz MTNVNQMAPLDJND-JKSUJKDBSA-N 1 0 385.917 1.751 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655440270 653969454 /nfs/dbraw/zinc/96/94/54/653969454.db2.gz MGSWRFVQNYYXKO-DCGLDWPTSA-N 1 0 383.286 1.695 20 0 GDADRO CO[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000655461745 653969855 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1.692 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655957087 653996082 /nfs/dbraw/zinc/99/60/82/653996082.db2.gz NKNAYPZPWBEVNS-VIFPVBQESA-N 1 0 386.143 1.841 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655957085 653996258 /nfs/dbraw/zinc/99/62/58/653996258.db2.gz NJORRDKBSPGTEY-SNVBAGLBSA-N 1 0 398.179 1.710 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000655957491 653996364 /nfs/dbraw/zinc/99/63/64/653996364.db2.gz ACERGDAHOAHOPK-SECBINFHSA-N 1 0 384.152 1.402 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)C(F)(F)F ZINC000655958010 653996455 /nfs/dbraw/zinc/99/64/55/653996455.db2.gz HFDQBRLQJIAIEV-ZETCQYMHSA-N 1 0 390.106 1.672 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@H](F)C2)c(C)c[nH+]1 ZINC000656387830 654027853 /nfs/dbraw/zinc/02/78/53/654027853.db2.gz QRRKAWRFWCZPDJ-AWEZNQCLSA-N 1 0 393.506 1.016 20 0 GDADRO CO[C@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCOC1 ZINC000656704175 654047616 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C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000676945437 654657899 /nfs/dbraw/zinc/65/78/99/654657899.db2.gz LDMGNMDLIUTKTG-QWRGUYRKSA-N 1 0 379.935 1.669 20 0 GDADRO COc1ccc(Br)c2[nH]c(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc21 ZINC000676998327 654658957 /nfs/dbraw/zinc/65/89/57/654658957.db2.gz RXWLPGQHDBBHEK-MRXNPFEDSA-N 1 0 384.274 1.981 20 0 GDADRO COCCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000775190142 654660942 /nfs/dbraw/zinc/66/09/42/654660942.db2.gz ILXZSXNMQPBIGN-CQSZACIVSA-N 1 0 392.543 1.039 20 0 GDADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000677540646 654670396 /nfs/dbraw/zinc/67/03/96/654670396.db2.gz FJJLYQLNZJXEJY-PMPSAXMXSA-N 1 0 395.297 1.983 20 0 GDADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000677540645 654670433 /nfs/dbraw/zinc/67/04/33/654670433.db2.gz FJJLYQLNZJXEJY-OWCLPIDISA-N 1 0 395.297 1.983 20 0 GDADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677872617 654677370 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CCNS(=O)(=O)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000743602133 654718204 /nfs/dbraw/zinc/71/82/04/654718204.db2.gz FNIBNNJJCZNDIP-DZGCQCFKSA-N 1 0 388.559 1.370 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2scnc2Br)CC1 ZINC000777867176 654724944 /nfs/dbraw/zinc/72/49/44/654724944.db2.gz UGCWBLCVKBMPIM-UHFFFAOYSA-N 1 0 389.319 1.436 20 0 GDADRO CC(C)[C@H](CNC(=O)NCCOCCS(C)(=O)=O)[NH+]1CCCCCC1 ZINC000745434827 654746545 /nfs/dbraw/zinc/74/65/45/654746545.db2.gz SQFONPIXHKRDGC-INIZCTEOSA-N 1 0 377.551 1.247 20 0 GDADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000682221476 654750069 /nfs/dbraw/zinc/75/00/69/654750069.db2.gz SIMRORJIAMCPSM-KGLIPLIRSA-N 1 0 385.237 1.866 20 0 GDADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC2(O)CCS(=O)(=O)CC2)C1 ZINC000778975241 654753170 /nfs/dbraw/zinc/75/31/70/654753170.db2.gz CYTSPFPRTZFMCE-UONOGXRCSA-N 1 0 376.519 1.161 20 0 GDADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000779033887 654753877 /nfs/dbraw/zinc/75/38/77/654753877.db2.gz QVPAKUQZMMCJPR-KBPBESRZSA-N 1 0 377.551 1.939 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000746254428 654756263 /nfs/dbraw/zinc/75/62/63/654756263.db2.gz SCBPWZGGIMBHHM-RYUDHWBXSA-N 1 0 385.452 1.537 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cn(C(C)(C)C)nc2Br)CC1 ZINC000780687479 654790685 /nfs/dbraw/zinc/79/06/85/654790685.db2.gz AMERMEZFDDWKSR-UHFFFAOYSA-N 1 0 386.338 1.720 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCNc1ccccn1 ZINC000747811769 654792211 /nfs/dbraw/zinc/79/22/11/654792211.db2.gz KQQRRDUTZFRSPY-CYBMUJFWSA-N 1 0 383.905 1.801 20 0 GDADRO O=C(c1c[nH]c2ncc(Br)cc12)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000684277354 654795628 /nfs/dbraw/zinc/79/56/28/654795628.db2.gz DWRPNQBWVABLQE-HUUCEWRRSA-N 1 0 393.285 1.997 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[NH2+]C(C)(C)C2)ccc1Cl ZINC000747921119 654796675 /nfs/dbraw/zinc/79/66/75/654796675.db2.gz XPDLXKKRHSGORS-UHFFFAOYSA-N 1 0 375.878 1.346 20 0 GDADRO C[C@H]([NH2+]CCc1nnnn1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684552198 654798934 /nfs/dbraw/zinc/79/89/34/654798934.db2.gz GWAOGIYSVZGQRE-ZETCQYMHSA-N 1 0 379.273 1.058 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000748363053 654804056 /nfs/dbraw/zinc/80/40/56/654804056.db2.gz JFWLAITVJRFEBC-LLVKDONJSA-N 1 0 382.511 1.368 20 0 GDADRO C[NH+](C)CCCNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000684882490 654807455 /nfs/dbraw/zinc/80/74/55/654807455.db2.gz RUBPBHHDYPVQCD-UHFFFAOYSA-N 1 0 376.910 1.259 20 0 GDADRO COCCS(=O)(=O)CCC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000782082880 654823999 /nfs/dbraw/zinc/82/39/99/654823999.db2.gz NAOCHSTUYXEJCD-CQSZACIVSA-N 1 0 380.304 1.523 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1c[nH]c2nccnc12 ZINC000685848085 654829885 /nfs/dbraw/zinc/82/98/85/654829885.db2.gz CGPZBBBBBDQFEF-UHFFFAOYSA-N 1 0 379.873 1.939 20 0 GDADRO O=C(c1ccc(-n2cc(Br)cn2)nn1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000749368540 654830717 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394.925 1.276 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000783592855 654863832 /nfs/dbraw/zinc/86/38/32/654863832.db2.gz NKUCWVCBJWOMRB-GJZGRUSLSA-N 1 0 384.527 1.378 20 0 GDADRO COc1ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc1NS(C)(=O)=O ZINC000727070215 654863834 /nfs/dbraw/zinc/86/38/34/654863834.db2.gz CICVONQLMMDFCN-UHFFFAOYSA-N 1 0 388.559 1.941 20 0 GDADRO Cc1ccc([C@@H](CNC(=S)NCCNS(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC000727081948 654866176 /nfs/dbraw/zinc/86/61/76/654866176.db2.gz JYAKCNFHYYKBRW-MRXNPFEDSA-N 1 0 384.571 1.145 20 0 GDADRO C[NH+](C)CCNC(=S)NCCCNC(=O)c1cccc(Br)c1 ZINC000751015632 654868232 /nfs/dbraw/zinc/86/82/32/654868232.db2.gz WYRYRPZYDPQLKM-UHFFFAOYSA-N 1 0 387.347 1.595 20 0 GDADRO O=C(NCC[N@@H+]1CCCOCC1)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000783840892 654871110 /nfs/dbraw/zinc/87/11/10/654871110.db2.gz DPUMNBQXRFPSKW-UHFFFAOYSA-N 1 0 376.425 1.276 20 0 GDADRO S=C(NCCc1cccs1)NC[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000727696481 654877448 /nfs/dbraw/zinc/87/74/48/654877448.db2.gz VYCDXQWMCQXTNM-MRXNPFEDSA-N 1 0 382.599 1.409 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)/C=C/c2cccc(Br)c2)CC1 ZINC000751425690 654888438 /nfs/dbraw/zinc/88/84/38/654888438.db2.gz PROBXECGPMNDRM-BJMVGYQFSA-N 1 0 389.315 1.796 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000784462754 654888929 /nfs/dbraw/zinc/88/89/29/654888929.db2.gz IVTUFWYDUBNWBB-LBPRGKRZSA-N 1 0 381.274 1.786 20 0 GDADRO CN(Cn1nc(Br)nc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000751592077 654900268 /nfs/dbraw/zinc/90/02/68/654900268.db2.gz VJQZRLLMHLETAY-SECBINFHSA-N 1 0 379.100 1.929 20 0 GDADRO O=S(=O)(CC[NH2+][C@@H]1CCc2ccc(Br)cc21)N1CCOCC1 ZINC000800972572 654905264 /nfs/dbraw/zinc/90/52/64/654905264.db2.gz MMZLIDMOGVWGKE-OAHLLOKOSA-N 1 0 389.315 1.688 20 0 GDADRO COCCN(CC[NH+](C)C)C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000729644770 654913380 /nfs/dbraw/zinc/91/33/80/654913380.db2.gz AXONGHJAWZXUGH-UHFFFAOYSA-N 1 0 388.559 1.144 20 0 GDADRO 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655034742 /nfs/dbraw/zinc/03/47/42/655034742.db2.gz AXLXFDIAUOOXAR-PPAJKHQYSA-N 1 0 383.539 1.258 20 0 GDADRO C[NH+](C)CC1(CNS(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000790048718 655039886 /nfs/dbraw/zinc/03/98/86/655039886.db2.gz RVMHKNIRGKCANY-UHFFFAOYSA-N 1 0 375.535 1.647 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccnc1I ZINC000757930344 655046410 /nfs/dbraw/zinc/04/64/10/655046410.db2.gz NRWTZSXLJYFPGV-QWRGUYRKSA-N 1 0 387.221 1.279 20 0 GDADRO COC(=O)c1c2cnn(C[NH+]3CCC(C(N)=O)CC3)c2ccc1Br ZINC000790438062 655049222 /nfs/dbraw/zinc/04/92/22/655049222.db2.gz HHVCHYRNNHEDID-UHFFFAOYSA-N 1 0 395.257 1.740 20 0 GDADRO O=C1CCCN1[C@H]1CC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000790460376 655050316 /nfs/dbraw/zinc/05/03/16/655050316.db2.gz ORKVPYNRNXAFMY-LBPRGKRZSA-N 1 0 391.269 1.813 20 0 GDADRO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCC(C)(C)[NH3+] ZINC000832792850 655053416 /nfs/dbraw/zinc/05/34/16/655053416.db2.gz ASFPFKUXVDKIHV-PABFRNLHSA-N 1 0 385.555 1.552 20 0 GDADRO 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C[C@@H](CC(=O)NC[C@H]1CCC[N@H+](C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000760558836 655117425 /nfs/dbraw/zinc/11/74/25/655117425.db2.gz UVGOQFKQKJALNB-QWHCGFSZSA-N 1 0 388.921 1.250 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000760654753 655122530 /nfs/dbraw/zinc/12/25/30/655122530.db2.gz AGXQRTHTPNHZIG-FRRDWIJNSA-N 1 0 388.921 1.391 20 0 GDADRO CCOC(=O)N1CCC([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000809424459 655128710 /nfs/dbraw/zinc/12/87/10/655128710.db2.gz KVXVTLHMYIDSDZ-UHFFFAOYSA-N 1 0 375.878 1.698 20 0 GDADRO CC(C)CC1CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000760920064 655129255 /nfs/dbraw/zinc/12/92/55/655129255.db2.gz JILVSMQBQCKFAQ-UHFFFAOYSA-N 1 0 375.579 1.921 20 0 GDADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000809521630 655129828 /nfs/dbraw/zinc/12/98/28/655129828.db2.gz PJVZRFLLEOGJQG-YIDVYQOGSA-N 1 0 385.599 1.861 20 0 GDADRO C[C@H](OC[C@@H](O)C[NH+]1CCC(CS(N)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000761029859 655131426 /nfs/dbraw/zinc/13/14/26/655131426.db2.gz RTXGTOMTPWRVIC-GUYCJALGSA-N 1 0 390.933 1.779 20 0 GDADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000809526690 655131732 /nfs/dbraw/zinc/13/17/32/655131732.db2.gz SIDJFUSDCRFQCP-KFWWJZLASA-N 1 0 385.599 1.815 20 0 GDADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)CCOCC(F)(F)F ZINC000809816193 655137766 /nfs/dbraw/zinc/13/77/66/655137766.db2.gz DHIICAZCMKPIJW-UHFFFAOYSA-N 1 0 384.420 1.972 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000810064380 655147805 /nfs/dbraw/zinc/14/78/05/655147805.db2.gz FDEIEZIFGXTCQC-UHFFFAOYSA-N 1 0 376.910 1.645 20 0 GDADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000810098685 655150055 /nfs/dbraw/zinc/15/00/55/655150055.db2.gz XJZIXPNHPFRXDK-UHFFFAOYSA-N 1 0 391.921 1.865 20 0 GDADRO Cn1nnc(Br)c1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000810264338 655154011 /nfs/dbraw/zinc/15/40/11/655154011.db2.gz DZRYIKNRZCVVAK-UHFFFAOYSA-N 1 0 382.262 1.448 20 0 GDADRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000810257463 655154042 /nfs/dbraw/zinc/15/40/42/655154042.db2.gz RKGNTVPCENTPTG-UPJWGTAASA-N 1 0 378.516 1.486 20 0 GDADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000794810926 655154656 /nfs/dbraw/zinc/15/46/56/655154656.db2.gz OBWRPVLFPOBBRX-CYBMUJFWSA-N 1 0 376.544 1.815 20 0 GDADRO Cn1nnc(Br)c1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000810612777 655167646 /nfs/dbraw/zinc/16/76/46/655167646.db2.gz IURSUZWYGMXDPN-UHFFFAOYSA-N 1 0 384.253 1.921 20 0 GDADRO NC(=O)NC(=O)OCCC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000795332534 655172042 /nfs/dbraw/zinc/17/20/42/655172042.db2.gz GQPRCYSUPIFGBN-LLVKDONJSA-N 1 0 378.198 1.406 20 0 GDADRO Cn1nc(Br)cc1C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810771875 655173069 /nfs/dbraw/zinc/17/30/69/655173069.db2.gz SUBTXCSSJKACJG-VIFPVBQESA-N 1 0 381.234 1.381 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnc(Cl)c2I)C1 ZINC000762721713 655175482 /nfs/dbraw/zinc/17/54/82/655175482.db2.gz DWOLCNHBUHSHDV-LBPRGKRZSA-N 1 0 395.628 1.136 20 0 GDADRO C[NH+](C)C1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC1 ZINC000762974177 655183104 /nfs/dbraw/zinc/18/31/04/655183104.db2.gz WPLRWGCTUSWSIO-UHFFFAOYSA-N 1 0 391.946 1.719 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]CC1CCC2(CC1)OCCO2)c1cccs1 ZINC000795942448 655197276 /nfs/dbraw/zinc/19/72/76/655197276.db2.gz NOAKVTGXAIHEKT-AWEZNQCLSA-N 1 0 375.512 1.406 20 0 GDADRO CN(C)S(=O)(=O)CCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000811721702 655203576 /nfs/dbraw/zinc/20/35/76/655203576.db2.gz MGEBAARMKNWADV-UHFFFAOYSA-N 1 0 384.571 1.007 20 0 GDADRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000796128216 655204085 /nfs/dbraw/zinc/20/40/85/655204085.db2.gz JEVMHWKCGHPHMR-GJZGRUSLSA-N 1 0 375.535 1.599 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC000796550220 655214242 /nfs/dbraw/zinc/21/42/42/655214242.db2.gz VUYGRMZBUACQFC-INIZCTEOSA-N 1 0 375.535 1.649 20 0 GDADRO O=C1NCCN(C[C@H](O)C[NH+]2CCCC2)[C@@H]1c1ccc(Br)cc1 ZINC000796574668 655214661 /nfs/dbraw/zinc/21/46/61/655214661.db2.gz HZMTZVIKIHQIKF-HZPDHXFCSA-N 1 0 382.302 1.379 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000812489134 655215229 /nfs/dbraw/zinc/21/52/29/655215229.db2.gz TZDMOABKAWIPNC-CABCVRRESA-N 1 0 397.269 1.829 20 0 GDADRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC(C)(C)S(C)(=O)=O ZINC000764447408 655216438 /nfs/dbraw/zinc/21/64/38/655216438.db2.gz WQSFDCGUWWOEKI-UHFFFAOYSA-N 1 0 389.905 1.523 20 0 GDADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000812724287 655220226 /nfs/dbraw/zinc/22/02/26/655220226.db2.gz YYHFQFIGLIOPHL-KBPBESRZSA-N 1 0 377.551 1.939 20 0 GDADRO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000812841447 655221850 /nfs/dbraw/zinc/22/18/50/655221850.db2.gz YYQYSYSBOWSNKE-AWEZNQCLSA-N 1 0 381.420 1.257 20 0 GDADRO CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)CC1 ZINC000838989943 655235059 /nfs/dbraw/zinc/23/50/59/655235059.db2.gz ISKLHVGHDYUCMW-ZIAGYGMSSA-N 1 0 375.535 1.599 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765257131 655236786 /nfs/dbraw/zinc/23/67/86/655236786.db2.gz WQAQQFYXEHJTAB-KBPBESRZSA-N 1 0 390.527 1.489 20 0 GDADRO CS[C@@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@@H]1[NH+](C)C ZINC000765258434 655236971 /nfs/dbraw/zinc/23/69/71/655236971.db2.gz FWYPCCTVCTXJRX-DZGCQCFKSA-N 1 0 383.901 1.569 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C[C@H]1[NH+](C)C ZINC000765270818 655237103 /nfs/dbraw/zinc/23/71/03/655237103.db2.gz PONAPCGDQFPAMV-OCCSQVGLSA-N 1 0 387.527 1.182 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1[NH+](C)C ZINC000765273730 655237313 /nfs/dbraw/zinc/23/73/13/655237313.db2.gz XBZHRVXMXDHPGP-XNJGSVPQSA-N 1 0 375.510 1.840 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839090868 655239235 /nfs/dbraw/zinc/23/92/35/655239235.db2.gz LQXKFXSRMNAVGY-GJZGRUSLSA-N 1 0 377.551 1.799 20 0 GDADRO COCCCCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765484326 655241414 /nfs/dbraw/zinc/24/14/14/655241414.db2.gz FAOWHMQQHQSYKM-AWEZNQCLSA-N 1 0 392.543 1.880 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000765501545 655241855 /nfs/dbraw/zinc/24/18/55/655241855.db2.gz JLRGACJODCDGGZ-AWEZNQCLSA-N 1 0 382.404 1.632 20 0 GDADRO COc1ccc(Br)c(CS(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000813741295 655244746 /nfs/dbraw/zinc/24/47/46/655244746.db2.gz OOUVWFPGRPVZTG-ABAIWWIYSA-N 1 0 389.315 1.923 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000765795102 655249756 /nfs/dbraw/zinc/24/97/56/655249756.db2.gz HJPOWSBJAIENNU-BZPMIXESSA-N 1 0 388.921 1.209 20 0 GDADRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765848795 655250766 /nfs/dbraw/zinc/25/07/66/655250766.db2.gz OQKJGEMNKIBRET-SWLSCSKDSA-N 1 0 378.516 1.224 20 0 GDADRO C[C@@H]([NH2+]CCOCC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765867299 655251194 /nfs/dbraw/zinc/25/11/94/655251194.db2.gz LYEZEBWZCUDSOY-CYBMUJFWSA-N 1 0 390.527 1.489 20 0 GDADRO CC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766128792 655259648 /nfs/dbraw/zinc/25/96/48/655259648.db2.gz LNEHTYFRVBNKCB-JSGCOSHPSA-N 1 0 378.516 1.224 20 0 GDADRO O=C(CNS(=O)(=O)c1cnc(Cl)c(F)c1)NCC[NH+]1CCCCCC1 ZINC000814281872 655260169 /nfs/dbraw/zinc/26/01/69/655260169.db2.gz WCLTYDHCUCGCBD-UHFFFAOYSA-N 1 0 392.884 1.145 20 0 GDADRO COC[C@H]([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C(C)C ZINC000766164120 655260556 /nfs/dbraw/zinc/26/05/56/655260556.db2.gz ZIZNCIOMTUAMMU-BBRMVZONSA-N 1 0 392.543 1.734 20 0 GDADRO C[C@@H]1CN=C(N2CCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)CC2)S1 ZINC000839692491 655261522 /nfs/dbraw/zinc/26/15/22/655261522.db2.gz KTODVSGXGVBRJD-ZBFHGGJFSA-N 1 0 382.599 1.839 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000798373788 655264771 /nfs/dbraw/zinc/26/47/71/655264771.db2.gz PJZMLROBZJQTIV-UHFFFAOYSA-N 1 0 382.496 1.839 20 0 GDADRO Cc1[nH]c(=S)sc1CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000839810038 655266185 /nfs/dbraw/zinc/26/61/85/655266185.db2.gz UDNAVMAJDSPGFW-UHFFFAOYSA-N 1 0 384.571 1.196 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCSC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766446671 655266818 /nfs/dbraw/zinc/26/68/18/655266818.db2.gz PXXRUTCGDRPDSQ-JSGCOSHPSA-N 1 0 392.568 1.958 20 0 GDADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cc(Cl)cc(C(N)=O)c3)C2)CC1 ZINC000798466809 655267803 /nfs/dbraw/zinc/26/78/03/655267803.db2.gz ZGTUEQLVCLAFRU-UHFFFAOYSA-N 1 0 385.917 1.935 20 0 GDADRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766501942 655268283 /nfs/dbraw/zinc/26/82/83/655268283.db2.gz PTWUFVOJNLFSEP-IUODEOHRSA-N 1 0 378.516 1.080 20 0 GDADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)C3SCCS3)cc2)CC1 ZINC000839905692 655270915 /nfs/dbraw/zinc/27/09/15/655270915.db2.gz LAALYPWOKXMSLY-UHFFFAOYSA-N 1 0 379.551 1.806 20 0 GDADRO Cn1cc(Br)c(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000814601589 655272316 /nfs/dbraw/zinc/27/23/16/655272316.db2.gz REMKWKGDVRSIQX-UHFFFAOYSA-N 1 0 385.262 1.082 20 0 GDADRO C[C@@H]1CN(CN2Cc3cccc(Br)c3C2=O)C[C@H](C)[N@H+]1CCO ZINC000840133642 655277133 /nfs/dbraw/zinc/27/71/33/655277133.db2.gz GDTDQBUXLWNXOQ-BETUJISGSA-N 1 0 382.302 1.749 20 0 GDADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000767315766 655289441 /nfs/dbraw/zinc/28/94/41/655289441.db2.gz RZJWUEWFBUCKOK-SELBCVKXSA-N 1 0 384.523 1.539 20 0 GDADRO C[C@H]([NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)[C@@H]1C[C@H]1C ZINC000840732559 655295194 /nfs/dbraw/zinc/29/51/94/655295194.db2.gz DJOWNAYJJYJGSZ-DVOMOZLQSA-N 1 0 390.527 1.425 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCn1cc(Br)ccc1=O ZINC000840776358 655296823 /nfs/dbraw/zinc/29/68/23/655296823.db2.gz QSFOVNGFOPVEEF-ZDUSSCGKSA-N 1 0 387.347 1.559 20 0 GDADRO Cc1c(NC(=S)NCC2CC[NH+](C)CC2)cccc1S(=O)(=O)N(C)C ZINC000840828681 655298601 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394.628 1.583 20 0 GDADRO CC1=C(Br)CN(C(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000841122810 655309156 /nfs/dbraw/zinc/30/91/56/655309156.db2.gz KDVPZJACJNNZMN-LBPRGKRZSA-N 1 0 393.285 1.737 20 0 GDADRO C[NH+](C)CCCNC(=S)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000767919750 655309353 /nfs/dbraw/zinc/30/93/53/655309353.db2.gz PLGHOBGURMQVFA-AWEZNQCLSA-N 1 0 399.358 1.748 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841162232 655311349 /nfs/dbraw/zinc/31/13/49/655311349.db2.gz ZCJGJFGDTKUHAR-ZETCQYMHSA-N 1 0 395.179 1.622 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc2ccccc2nc1Br ZINC000841163880 655311611 /nfs/dbraw/zinc/31/16/11/655311611.db2.gz BICBRVMIWPLOLV-NSHDSACASA-N 1 0 377.242 1.804 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2C)C1 ZINC000841170155 655312003 /nfs/dbraw/zinc/31/20/03/655312003.db2.gz RCINIEILQUNCTG-VIFPVBQESA-N 1 0 389.681 1.812 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000841190301 655312897 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GHFLVQSQSNNUAE-GFCCVEGCSA-N 1 0 385.917 1.852 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000842696754 655371679 /nfs/dbraw/zinc/37/16/79/655371679.db2.gz BOQBXGSBRZHSTC-NWDGAFQWSA-N 1 0 375.516 1.313 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)NCC[C@H](C)[NH3+])c1 ZINC000842706047 655372565 /nfs/dbraw/zinc/37/25/65/655372565.db2.gz KWWJUCJMYWHWKH-JTQLQIEISA-N 1 0 393.303 1.950 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842718469 655373244 /nfs/dbraw/zinc/37/32/44/655373244.db2.gz OTUSCHOVGDAXAD-JTQLQIEISA-N 1 0 388.433 1.632 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000842725988 655373887 /nfs/dbraw/zinc/37/38/87/655373887.db2.gz RFQHIBVUFMPFJX-YPMHNXCESA-N 1 0 375.516 1.442 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842725747 655373897 /nfs/dbraw/zinc/37/38/97/655373897.db2.gz IZBRFGIEQFXXFY-QWRGUYRKSA-N 1 0 382.454 1.479 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])s1 ZINC000818429590 655374218 /nfs/dbraw/zinc/37/42/18/655374218.db2.gz VPVWRHSJIMRAGK-RKDXNWHRSA-N 1 0 397.316 1.845 20 0 GDADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000842735236 655374366 /nfs/dbraw/zinc/37/43/66/655374366.db2.gz RIMNRFVVUWZKFJ-UHFFFAOYSA-N 1 0 396.481 1.693 20 0 GDADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(CCNC(=O)OC)s2)CC1 ZINC000842735372 655374384 /nfs/dbraw/zinc/37/43/84/655374384.db2.gz RPOLXLCXZOCWFP-UHFFFAOYSA-N 1 0 389.543 1.657 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)s1 ZINC000842740789 655374638 /nfs/dbraw/zinc/37/46/38/655374638.db2.gz WJNHWYXMEZLIMW-ZDUSSCGKSA-N 1 0 377.532 1.641 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000842744204 655374852 /nfs/dbraw/zinc/37/48/52/655374852.db2.gz QDGAXMIDPGVEJH-KCJUWKMLSA-N 1 0 397.266 1.334 20 0 GDADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000842750217 655375215 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ZINC000825567598 655491172 /nfs/dbraw/zinc/49/11/72/655491172.db2.gz KHIBOYFJSVVUIH-NSHDSACASA-N 1 0 390.303 1.263 20 0 GDADRO Cc1n[nH]c(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1Br ZINC000825633259 655492026 /nfs/dbraw/zinc/49/20/26/655492026.db2.gz RCJRGGRJYAYVEV-RYUDHWBXSA-N 1 0 398.305 1.201 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000848594362 655497150 /nfs/dbraw/zinc/49/71/50/655497150.db2.gz AZGZKCRKEYUWHB-ZJUUUORDSA-N 1 0 375.269 1.807 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000826985649 655504068 /nfs/dbraw/zinc/50/40/68/655504068.db2.gz JODIEAMARGCWQD-CBBWQLFWSA-N 1 0 376.519 1.424 20 0 GDADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)OC(F)(F)O2 ZINC000827071861 655504995 /nfs/dbraw/zinc/50/49/95/655504995.db2.gz KPDGJAAQJZGZOO-MNOVXSKESA-N 1 0 376.381 1.150 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827367471 655509974 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GDADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000849301703 655521573 /nfs/dbraw/zinc/52/15/73/655521573.db2.gz SFVJTNGZSFHNIQ-CQSZACIVSA-N 1 0 384.571 1.419 20 0 GDADRO Ic1cnnn1C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000849352966 655522471 /nfs/dbraw/zinc/52/24/71/655522471.db2.gz UEWAXAJKJKZFPR-NSHDSACASA-N 1 0 375.258 1.519 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000849428675 655533585 /nfs/dbraw/zinc/53/35/85/655533585.db2.gz DBVJRSFPXAYMRV-UHFFFAOYSA-N 1 0 375.882 1.038 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Br)nn2C)cn1 ZINC000849595929 655542607 /nfs/dbraw/zinc/54/26/07/655542607.db2.gz MIJPJMNQHBMXSG-VXGBXAGGSA-N 1 0 381.278 1.590 20 0 GDADRO Cc1nccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1Br ZINC000849612706 655542746 /nfs/dbraw/zinc/54/27/46/655542746.db2.gz NSSDKLGGYLTTGY-KGLIPLIRSA-N 1 0 392.301 1.982 20 0 GDADRO CSc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000850374926 655553521 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GDADRO COC[C@@]1(CNC(=O)[C@@]2(C)CC2(Br)Br)CCC[NH2+]1 ZINC000851636283 655589466 /nfs/dbraw/zinc/58/94/66/655589466.db2.gz RDFPHJZKTMCUQJ-MNOVXSKESA-N 1 0 384.112 1.767 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)NCCC2SCCS2)C1)[C@H]1CCC[NH2+]1 ZINC000851680003 655590330 /nfs/dbraw/zinc/59/03/30/655590330.db2.gz FWXSDAOCMFGOSD-UONOGXRCSA-N 1 0 386.587 1.472 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000851672498 655590333 /nfs/dbraw/zinc/59/03/33/655590333.db2.gz PPEMMBHLBHQSRE-CYBMUJFWSA-N 1 0 385.452 1.385 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000851729465 655592964 /nfs/dbraw/zinc/59/29/64/655592964.db2.gz BAVFIEBHAPBBGS-KBPBESRZSA-N 1 0 386.451 1.365 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000851814006 655596359 /nfs/dbraw/zinc/59/63/59/655596359.db2.gz XONBIFKKPOGMFM-NSHDSACASA-N 1 0 375.878 1.626 20 0 GDADRO O=S(=O)(c1ccc(Br)o1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000851853401 655599898 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COCCOc1ccc(Br)cc1S(=O)(=O)N(C)C[C@@H](C)[NH3+] ZINC000858639928 655751801 /nfs/dbraw/zinc/75/18/01/655751801.db2.gz FZHCBCMVBCFZBX-SNVBAGLBSA-N 1 0 381.292 1.442 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)ccc1Br ZINC000858643023 655751907 /nfs/dbraw/zinc/75/19/07/655751907.db2.gz TWTCGOGONNBALF-QPUJVOFHSA-N 1 0 377.260 1.264 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000859210863 655769599 /nfs/dbraw/zinc/76/95/99/655769599.db2.gz CLIIVFYUQBZCJS-KLPPZKSPSA-N 1 0 379.404 1.806 20 0 GDADRO C[C@H]1CN(C(=O)C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)CCO1 ZINC000859572728 655787469 /nfs/dbraw/zinc/78/74/69/655787469.db2.gz SDFQLTOBCTWWEJ-UGSOOPFHSA-N 1 0 397.313 1.506 20 0 GDADRO Cc1cc(Cl)ncc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000861515836 655824318 /nfs/dbraw/zinc/82/43/18/655824318.db2.gz OQEMLYZPBPIUQW-NXEZZACHSA-N 1 0 378.782 1.968 20 0 GDADRO O=C(Nc1cnc(Br)c(Br)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861543603 655825755 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C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862408423 655846066 /nfs/dbraw/zinc/84/60/66/655846066.db2.gz BWAIBKGQCQPGON-YYWUGTDISA-N 1 0 388.452 1.911 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000863034672 655860602 /nfs/dbraw/zinc/86/06/02/655860602.db2.gz LZTCOKVTUWWTMV-ZDUSSCGKSA-N 1 0 385.917 1.995 20 0 GDADRO Cc1nc(C)c(Br)c(N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)n1 ZINC000863476892 655873643 /nfs/dbraw/zinc/87/36/43/655873643.db2.gz BSEDEQAVQYRADK-OLZOCXBDSA-N 1 0 396.289 1.617 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000864085869 655889986 /nfs/dbraw/zinc/88/99/86/655889986.db2.gz AUNXFZAMGZVAFZ-SECBINFHSA-N 1 0 376.242 1.533 20 0 GDADRO CC(C)n1ncc(C(=O)N2CCC[N@H+](C)CC2)c1I ZINC000864443404 655899122 /nfs/dbraw/zinc/89/91/22/655899122.db2.gz ZZSWYFSIFPEIFI-UHFFFAOYSA-N 1 0 376.242 1.846 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(I)nn1C ZINC000864987685 655909650 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NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(CO)c(Br)n2)CC1 ZINC000865632395 655923334 /nfs/dbraw/zinc/92/33/34/655923334.db2.gz PHJQHPZBTBGEBU-ZDUSSCGKSA-N 1 0 383.290 1.255 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]Cc3cc4c(cc3Br)OCO4)COCCN12 ZINC000865768005 655926053 /nfs/dbraw/zinc/92/60/53/655926053.db2.gz VDQXRRUKNBBXEW-OAHLLOKOSA-N 1 0 385.214 1.489 20 0 GDADRO O=C(CNc1ccc(CO)c(Br)n1)NCC[NH+]1CCCCCC1 ZINC000865831638 655927988 /nfs/dbraw/zinc/92/79/88/655927988.db2.gz YNXBMIDKFSANSU-UHFFFAOYSA-N 1 0 385.306 1.741 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(c3ncc(Br)cc3S(N)(=O)=O)CC[C@@H]21 ZINC000866205983 655936117 /nfs/dbraw/zinc/93/61/17/655936117.db2.gz PSAIKOJXPJOFSU-ONGXEEELSA-N 1 0 375.292 1.022 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(I)nn1C ZINC000866454745 655944188 /nfs/dbraw/zinc/94/41/88/655944188.db2.gz PNYLKUPCNTYOPC-SNVBAGLBSA-N 1 0 394.257 1.111 20 0 GDADRO O=C1COC[C@]2(C[NH2+][C@@H]3CCc4c3cccc4Br)COCCN12 ZINC000866553143 655949082 /nfs/dbraw/zinc/94/90/82/655949082.db2.gz 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380.297 1.764 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1Br ZINC000866776187 655962036 /nfs/dbraw/zinc/96/20/36/655962036.db2.gz VDQGCHAKIHPVRA-GFCCVEGCSA-N 1 0 391.335 1.583 20 0 GDADRO [NH3+][C@@H]1CCCCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000866783699 655963137 /nfs/dbraw/zinc/96/31/37/655963137.db2.gz SHTUUDAECZOIAF-LLVKDONJSA-N 1 0 382.454 1.575 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000866790360 655963869 /nfs/dbraw/zinc/96/38/69/655963869.db2.gz UCEUZMGMCQHWDE-QWRGUYRKSA-N 1 0 389.271 1.361 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000866791840 655964082 /nfs/dbraw/zinc/96/40/82/655964082.db2.gz LUZWBJISDGXDGY-WCBMZHEXSA-N 1 0 377.260 1.346 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)C1CC[NH2+]CC1 ZINC000866812661 655966284 /nfs/dbraw/zinc/96/62/84/655966284.db2.gz NTXDPIDSFBUYGE-JTQLQIEISA-N 1 0 379.404 1.854 20 0 GDADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000866815267 655966504 /nfs/dbraw/zinc/96/65/04/655966504.db2.gz OKBGBGKJTAAOII-KRWDZBQOSA-N 1 0 388.555 1.617 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1OC ZINC000866822969 655967228 /nfs/dbraw/zinc/96/72/28/655967228.db2.gz FBZHGASTWNQXFF-STQMWFEESA-N 1 0 387.889 1.223 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866825353 655967464 /nfs/dbraw/zinc/96/74/64/655967464.db2.gz PWKGVQCNJGGMEW-UONOGXRCSA-N 1 0 375.288 1.973 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000866841136 655969088 /nfs/dbraw/zinc/96/90/88/655969088.db2.gz UYTQASILCVUWHZ-DEOSSOPVSA-N 1 0 389.543 1.095 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000866842179 655969200 /nfs/dbraw/zinc/96/92/00/655969200.db2.gz SXVOLKYORARNHE-UHFFFAOYSA-N 1 0 382.885 1.181 20 0 GDADRO C[S@](=O)(=NS(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000866842496 655969424 /nfs/dbraw/zinc/96/94/24/655969424.db2.gz CVESMPLEDOTYHZ-IZHWHUGBSA-N 1 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/nfs/dbraw/zinc/98/61/42/655986142.db2.gz BORKEYLMOAZGED-AWEZNQCLSA-N 1 0 379.320 1.490 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(I)nn2C)C[C@H]1[NH+](C)C ZINC000867021744 655988293 /nfs/dbraw/zinc/98/82/93/655988293.db2.gz ZQJXPFDCIRYCPV-NXEZZACHSA-N 1 0 394.282 1.142 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)c(Br)n1 ZINC000867035866 655989966 /nfs/dbraw/zinc/98/99/66/655989966.db2.gz NBSAMGWBCJBZQR-UHFFFAOYSA-N 1 0 393.351 1.925 20 0 GDADRO C[C@@H](NS(=O)(=O)N=S1(=O)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867067480 655993118 /nfs/dbraw/zinc/99/31/18/655993118.db2.gz LCWQBMXRSNQXHW-WBVHZDCISA-N 1 0 385.555 1.993 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1cnn(C)c1Br)[NH+]1CCCCC1 ZINC000867094455 655994642 /nfs/dbraw/zinc/99/46/42/655994642.db2.gz NWALALFCZCFKPI-LLVKDONJSA-N 1 0 379.324 1.725 20 0 GDADRO COC(=O)c1ccc(OS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000867118287 655997927 /nfs/dbraw/zinc/99/79/27/655997927.db2.gz YJSGHPZVSRTGNY-UHFFFAOYSA-N 1 0 390.889 1.473 20 0 GDADRO CC[N@H+](CCNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC)C(C)C ZINC000867145593 656002066 /nfs/dbraw/zinc/00/20/66/656002066.db2.gz CFRXFLVURBIGFD-UHFFFAOYSA-N 1 0 376.450 1.630 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1Br ZINC000867225227 656017234 /nfs/dbraw/zinc/01/72/34/656017234.db2.gz KGCOJZNBUMUXRW-UHFFFAOYSA-N 1 0 391.335 1.679 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000867275957 656029495 /nfs/dbraw/zinc/02/94/95/656029495.db2.gz GXZRFPIUUYFMJM-CQSZACIVSA-N 1 0 377.551 1.893 20 0 GDADRO O=S(=O)(NC[C@H]1CCCCN1CCO)c1cc2nc(Cl)ncc2s1 ZINC000867328406 656039001 /nfs/dbraw/zinc/03/90/01/656039001.db2.gz WGLBUDMXMBQLGI-SNVBAGLBSA-N 1 0 390.918 1.470 20 0 GDADRO CON([C@H](C)c1csc(C)n1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000867335109 656040858 /nfs/dbraw/zinc/04/08/58/656040858.db2.gz LBTJDWWCYNVKGY-CYBMUJFWSA-N 1 0 376.548 1.343 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000867450841 656063568 /nfs/dbraw/zinc/06/35/68/656063568.db2.gz OZAWAFWCELAZQW-JTQLQIEISA-N 1 0 386.861 1.222 20 0 GDADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1nc[nH]c1Br ZINC000867537188 656080206 /nfs/dbraw/zinc/08/02/06/656080206.db2.gz DBKYDOORJHORKI-UHFFFAOYSA-N 1 0 377.308 1.573 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1Br ZINC000867621005 656094749 /nfs/dbraw/zinc/09/47/49/656094749.db2.gz WDKZITNSIJOUTC-UHFFFAOYSA-N 1 0 391.335 1.679 20 0 GDADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2nc(C)n(C)c2Br)CC1 ZINC000867632593 656096224 /nfs/dbraw/zinc/09/62/24/656096224.db2.gz VNSCUATZYIFUFK-UHFFFAOYSA-N 1 0 393.351 1.986 20 0 GDADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000867632996 656096446 /nfs/dbraw/zinc/09/64/46/656096446.db2.gz ZETIUQKKPHRBDR-UHFFFAOYSA-N 1 0 392.518 1.724 20 0 GDADRO C[C@@H](NS(=O)(=O)CCC[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000867833104 656123089 /nfs/dbraw/zinc/12/30/89/656123089.db2.gz WOTXBNQBVVNFFC-CQSZACIVSA-N 1 0 377.551 1.893 20 0 GDADRO Cn1cc(N2CCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2)cn1 ZINC000867957844 656135748 /nfs/dbraw/zinc/13/57/48/656135748.db2.gz AJLRHTJFDDUOIK-OAHLLOKOSA-N 1 0 378.274 1.531 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1I ZINC000867970074 656136320 /nfs/dbraw/zinc/13/63/20/656136320.db2.gz XAPZRJFOAZMOOC-KOLCDFICSA-N 1 0 376.242 1.796 20 0 GDADRO CC(=O)N[C@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1 ZINC000867975649 656136574 /nfs/dbraw/zinc/13/65/74/656136574.db2.gz YVLIRRJGPNZWNW-GJZGRUSLSA-N 1 0 380.286 1.885 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)c1c(F)ccc(I)c1Cl ZINC000867979372 656136589 /nfs/dbraw/zinc/13/65/89/656136589.db2.gz HUYVPIKBZCTDNB-SSDOTTSWSA-N 1 0 398.603 1.802 20 0 GDADRO [NH3+][C@H](C(=O)N1CCC(Cn2ccnn2)CC1)c1cccc(Br)c1 ZINC000867978387 656136625 /nfs/dbraw/zinc/13/66/25/656136625.db2.gz ZFKUEGXVHVRTSX-HNNXBMFYSA-N 1 0 378.274 1.979 20 0 GDADRO COc1cc(I)ccc1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000867986371 656137116 /nfs/dbraw/zinc/13/71/16/656137116.db2.gz ANUOCIOWYUJXGD-GHMZBOCLSA-N 1 0 378.185 1.811 20 0 GDADRO CN(CC(=O)N1CC[C@@](C)([NH3+])C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000868072396 656139589 /nfs/dbraw/zinc/13/95/89/656139589.db2.gz SSJIBGUDKIKKRS-CQSZACIVSA-N 1 0 390.303 1.019 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000868251452 656146503 /nfs/dbraw/zinc/14/65/03/656146503.db2.gz ZYIBBJOWHBPVKF-NSHDSACASA-N 1 0 384.274 1.984 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000868253313 656146707 /nfs/dbraw/zinc/14/67/07/656146707.db2.gz RHVXBXQZJXUATE-JTQLQIEISA-N 1 0 398.179 1.792 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000868257360 656146944 /nfs/dbraw/zinc/14/69/44/656146944.db2.gz XXASEXSVDRVERN-ZDUSSCGKSA-N 1 0 382.258 1.797 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)c1 ZINC000868270856 656147770 /nfs/dbraw/zinc/14/77/70/656147770.db2.gz RQZRBZBSDJBRFM-LLVKDONJSA-N 1 0 383.290 1.985 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ncc(Br)s1 ZINC000868372244 656152459 /nfs/dbraw/zinc/15/24/59/656152459.db2.gz QYIIZQWGGCYIHR-SNVBAGLBSA-N 1 0 376.324 1.341 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cccc(Br)c1 ZINC000868392211 656153959 /nfs/dbraw/zinc/15/39/59/656153959.db2.gz VGHUPWSSEQDLNV-SNPRPXQTSA-N 1 0 396.285 1.073 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)c1cccc(Br)c1 ZINC000868402325 656154419 /nfs/dbraw/zinc/15/44/19/656154419.db2.gz FLPOUTYPDURSCI-SWHYSGLUSA-N 1 0 384.274 1.201 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)c1cccc(Br)c1 ZINC000868402322 656154430 /nfs/dbraw/zinc/15/44/30/656154430.db2.gz FLPOUTYPDURSCI-BPNCWPANSA-N 1 0 384.274 1.201 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868420660 656155099 /nfs/dbraw/zinc/15/50/99/656155099.db2.gz YFUMYYVYLLUQHR-CABCVRRESA-N 1 0 380.286 1.760 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)NCCn3cc(Br)cn3)CC2)CC1 ZINC000868602551 656162602 /nfs/dbraw/zinc/16/26/02/656162602.db2.gz 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O=C(c1cc(Br)ccc1O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871002395 656259961 /nfs/dbraw/zinc/25/99/61/656259961.db2.gz NTJXUOZWVNQVDF-SUHUHFCYSA-N 1 0 396.241 1.162 20 0 GDADRO O=C(N[C@H]1COc2cccc(Br)c2C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000871007951 656260119 /nfs/dbraw/zinc/26/01/19/656260119.db2.gz MAOMXHQRJVCIHY-WDEREUQCSA-N 1 0 391.269 1.983 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N[C@@H]2COc3cccc(Br)c3C2)nn1 ZINC000871007448 656260171 /nfs/dbraw/zinc/26/01/71/656260171.db2.gz CZAAKNGZVQXSIJ-JTQLQIEISA-N 1 0 380.246 1.123 20 0 GDADRO COC[C@H](NC(=O)c1cn(CCCC[NH3+])nn1)c1cccc(Br)c1 ZINC000871009391 656260329 /nfs/dbraw/zinc/26/03/29/656260329.db2.gz PSAMKFPGJFLLHZ-HNNXBMFYSA-N 1 0 396.289 1.897 20 0 GDADRO C[N@@H+]1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CCC1(C)C ZINC000871159331 656263145 /nfs/dbraw/zinc/26/31/45/656263145.db2.gz SRTKCKPNRLEUHG-UHFFFAOYSA-N 1 0 393.289 1.981 20 0 GDADRO [NH3+]Cc1cnn(Cc2cn(C[C@@H](O)c3ccc(Br)cc3)nn2)c1 ZINC000871618472 656274706 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382.302 1.965 20 0 GDADRO O=C(CCN1CCC[C@H]([NH2+]CCO)C1)Nc1ccc(Br)cc1F ZINC000923404671 656550056 /nfs/dbraw/zinc/55/00/56/656550056.db2.gz LBCKZHYWUYHVOC-ZDUSSCGKSA-N 1 0 388.281 1.963 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000923404096 656550070 /nfs/dbraw/zinc/55/00/70/656550070.db2.gz IMJRPXJLWDBZLK-PBHICJAKSA-N 1 0 398.345 1.842 20 0 GDADRO O=C1[C@@H](N2CCC[C@@H]([NH2+]CCO)C2)CCN1c1cccc(Br)c1 ZINC000923405728 656550085 /nfs/dbraw/zinc/55/00/85/656550085.db2.gz IGZODFBFLQZXDU-ZBFHGGJFSA-N 1 0 382.302 1.601 20 0 GDADRO Cn1cnc([C@@H]2CN(C[C@@H](O)COc3cc(Cl)ccc3Cl)C[C@H]2[NH3+])c1 ZINC000923418264 656551732 /nfs/dbraw/zinc/55/17/32/656551732.db2.gz LYXYTIUAXJNZLP-UMVBOHGHSA-N 1 0 385.295 1.893 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)N1CCOC[C@H]1CO)c1ccc(Cl)c(Cl)c1 ZINC000923450173 656553606 /nfs/dbraw/zinc/55/36/06/656553606.db2.gz SSPQBESSECBXMJ-IUODEOHRSA-N 1 0 376.284 1.999 20 0 GDADRO [NH3+][C@]1(CO)CCCN(CC(=O)Nc2ccc(I)cc2)C1 ZINC000923479048 656555192 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384.274 1.583 20 0 GDADRO CCN(C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC)[C@@H]1CC[NH2+]C1 ZINC000884660310 657369503 /nfs/dbraw/zinc/36/95/03/657369503.db2.gz PSIDGVIHKTWHTQ-WCQYABFASA-N 1 0 398.301 1.845 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000884660963 657369869 /nfs/dbraw/zinc/36/98/69/657369869.db2.gz ICJKTHMVDJENJH-GRYCIOLGSA-N 1 0 385.295 1.636 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000884685166 657371241 /nfs/dbraw/zinc/37/12/41/657371241.db2.gz AJYLVHOIYNCPKR-ILXRZTDVSA-N 1 0 398.301 1.639 20 0 GDADRO COC[C@H](NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000884691719 657373204 /nfs/dbraw/zinc/37/32/04/657373204.db2.gz PWZZKWLJJNPJOA-WFASDCNBSA-N 1 0 398.301 1.369 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000884700033 657373404 /nfs/dbraw/zinc/37/34/04/657373404.db2.gz LRGYULSOGBNMKH-SNVBAGLBSA-N 1 0 380.798 1.860 20 0 GDADRO 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395.257 1.123 20 0 GDADRO C[NH+](C)CCOc1cc(CNC(=O)c2cc(=O)[nH]cc2Br)ccn1 ZINC000935145172 657406082 /nfs/dbraw/zinc/40/60/82/657406082.db2.gz BFBZUHYCCCKVNB-UHFFFAOYSA-N 1 0 395.257 1.815 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000885023994 657407321 /nfs/dbraw/zinc/40/73/21/657407321.db2.gz NYBDCJJCLTUGQM-UHFFFAOYSA-N 1 0 381.274 1.062 20 0 GDADRO Cc1ccc(Br)c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000935207063 657414326 /nfs/dbraw/zinc/41/43/26/657414326.db2.gz NCMMYEHMCFBICI-UHFFFAOYSA-N 1 0 398.301 1.452 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000885101765 657419850 /nfs/dbraw/zinc/41/98/50/657419850.db2.gz DFQCRZAVNOVUEJ-LBPRGKRZSA-N 1 0 380.286 1.404 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCc1sccc1Br)C2 ZINC000885209809 657428723 /nfs/dbraw/zinc/42/87/23/657428723.db2.gz BJXXHBJAOSMIFY-MEBBXXQBSA-N 1 0 386.315 1.509 20 0 GDADRO CCOc1ccc(Br)c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1F ZINC000935399286 657429670 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CO[C@@H](CS(=O)(=O)N(CC[NH3+])Cc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000886894398 657721127 /nfs/dbraw/zinc/72/11/27/657721127.db2.gz MFPFDZORGUOWOZ-ZBFHGGJFSA-N 1 0 376.906 1.482 20 0 GDADRO Cc1nn2cc(S(=O)(=O)NC[C@@H]3C[NH2+]CCC3(F)F)cnc2c1Cl ZINC000886896883 657723276 /nfs/dbraw/zinc/72/32/76/657723276.db2.gz XTVQQLUSEIFHNK-VIFPVBQESA-N 1 0 379.820 1.214 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000886899467 657725618 /nfs/dbraw/zinc/72/56/18/657725618.db2.gz LJMMNBVGQMFWED-KRWDZBQOSA-N 1 0 385.555 1.581 20 0 GDADRO CCN(C(=O)C(=O)Nc1cccc(I)c1)[C@H]1CC[NH2+]C1 ZINC000886986186 657731924 /nfs/dbraw/zinc/73/19/24/657731924.db2.gz ANBRNSUFPSOHAS-LBPRGKRZSA-N 1 0 387.221 1.440 20 0 GDADRO CCN(C(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000887004628 657735336 /nfs/dbraw/zinc/73/53/36/657735336.db2.gz SBEMCNVWZLBYEV-CQSZACIVSA-N 1 0 397.317 1.660 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887041349 657742031 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COc1ccc(NC(=O)NCC[N@H+](C)CCO)c(I)c1 ZINC000888030134 657856456 /nfs/dbraw/zinc/85/64/56/657856456.db2.gz WWVXHKHQQIOVBU-UHFFFAOYSA-N 1 0 393.225 1.345 20 0 GDADRO C[N@H+](CCO)CCNC(=O)Nc1c(F)cc(I)cc1F ZINC000888440173 657904917 /nfs/dbraw/zinc/90/49/17/657904917.db2.gz PTEJKPGTYSNPLA-UHFFFAOYSA-N 1 0 399.179 1.615 20 0 GDADRO C[NH+]1CCN(c2cc(C(=O)NCc3ncc(Br)cn3)ccn2)CC1 ZINC000889717497 658020913 /nfs/dbraw/zinc/02/09/13/658020913.db2.gz IPSLWVHLDLIAML-UHFFFAOYSA-N 1 0 391.273 1.316 20 0 GDADRO O=C(c1cn2c(Br)cnc2s1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889749802 658029271 /nfs/dbraw/zinc/02/92/71/658029271.db2.gz JMKIBZNWERNDHK-WDEREUQCSA-N 1 0 399.314 1.830 20 0 GDADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889756575 658033183 /nfs/dbraw/zinc/03/31/83/658033183.db2.gz OOABMQOOEKFJBV-ZOBUZTSGSA-N 1 0 395.297 1.810 20 0 GDADRO CC[C@@H](C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O)[NH+](CC)CC ZINC000889812643 658045721 /nfs/dbraw/zinc/04/57/21/658045721.db2.gz CMCJSUHDWCFDNG-STQMWFEESA-N 1 0 383.290 1.944 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc(F)c2Br)cn1 ZINC000890015425 658073536 /nfs/dbraw/zinc/07/35/36/658073536.db2.gz IPZWRSCZRCAHJB-UHFFFAOYSA-N 1 0 398.236 1.924 20 0 GDADRO CC1(C)CC[N@H+](CCNC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000890075506 658079204 /nfs/dbraw/zinc/07/92/04/658079204.db2.gz ICUGUHQTWVJMJM-UHFFFAOYSA-N 1 0 393.289 1.887 20 0 GDADRO CC1(C)CC[N@H+](CCNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000890075807 658079233 /nfs/dbraw/zinc/07/92/33/658079233.db2.gz OQNWQMKWRCLDDM-UHFFFAOYSA-N 1 0 377.869 1.588 20 0 GDADRO C[NH+](C)Cc1ccsc1C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 ZINC000890485952 658119044 /nfs/dbraw/zinc/11/90/44/658119044.db2.gz HKUSIWKWAOENEI-UHFFFAOYSA-N 1 0 381.523 1.820 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C(F)(F)F ZINC000891364310 658231580 /nfs/dbraw/zinc/23/15/80/658231580.db2.gz AMUVUHSXUZCBNI-GMTAPVOTSA-N 1 0 376.345 1.649 20 0 GDADRO O=C(NCCNC(=O)c1ccc(Br)cc1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891399433 658235011 /nfs/dbraw/zinc/23/50/11/658235011.db2.gz MOETXRVUHACKTB-PBHICJAKSA-N 1 0 395.301 1.763 20 0 GDADRO CC[NH+](CC)CCCNC(=O)N1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000891462716 658242105 /nfs/dbraw/zinc/24/21/05/658242105.db2.gz HAOKHDSGGJBDRU-VWLOTQADSA-N 1 0 375.583 1.714 20 0 GDADRO [NH3+][C@@H]1CCCCCN(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000891548227 658249192 /nfs/dbraw/zinc/24/91/92/658249192.db2.gz BKEVEEVANWPUAE-CYBMUJFWSA-N 1 0 382.477 1.164 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891708259 658268011 /nfs/dbraw/zinc/26/80/11/658268011.db2.gz PJAHPVVOPKJNEU-YGRLFVJLSA-N 1 0 392.934 1.264 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000891858141 658278037 /nfs/dbraw/zinc/27/80/37/658278037.db2.gz MVEJTLXCFLYRCA-MWLCHTKSSA-N 1 0 379.404 1.740 20 0 GDADRO Cc1[nH+]ccc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1Br ZINC000891885643 658281041 /nfs/dbraw/zinc/28/10/41/658281041.db2.gz DRGUNOCCMPHUKG-UHFFFAOYSA-N 1 0 381.274 1.424 20 0 GDADRO Cn1cc(Br)c(CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000891935971 658284475 /nfs/dbraw/zinc/28/44/75/658284475.db2.gz KTPPQIFLYQZACA-YUMQZZPRSA-N 1 0 384.200 1.461 20 0 GDADRO Cn1cc(Br)c(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000891937128 658285634 /nfs/dbraw/zinc/28/56/34/658285634.db2.gz YVKBEDKDSOVPIO-LLVKDONJSA-N 1 0 386.294 1.141 20 0 GDADRO O=C(NCc1ccc(Br)cn1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000892132597 658298611 /nfs/dbraw/zinc/29/86/11/658298611.db2.gz OQAGUDUGFZDKHS-UHFFFAOYSA-N 1 0 396.333 1.860 20 0 GDADRO C[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000892211283 658308212 /nfs/dbraw/zinc/30/82/12/658308212.db2.gz VFHNBKHIXLBYIJ-UHFFFAOYSA-N 1 0 383.754 1.217 20 0 GDADRO CCc1ccc(-c2csc(NC(=O)C(=O)NCC[N@H+](C)CCO)n2)s1 ZINC000892214607 658310522 /nfs/dbraw/zinc/31/05/22/658310522.db2.gz UQMDZEOIQRUQDK-UHFFFAOYSA-N 1 0 382.511 1.413 20 0 GDADRO O=C(NCCc1cc(Cl)cc(Br)c1)NC[C@@H]1COCC[NH2+]1 ZINC000892289478 658315372 /nfs/dbraw/zinc/31/53/72/658315372.db2.gz MKBGKNLHFLGVHH-CYBMUJFWSA-N 1 0 376.682 1.933 20 0 GDADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000892294654 658315560 /nfs/dbraw/zinc/31/55/60/658315560.db2.gz LWCXCHNXFBFMNQ-KGLIPLIRSA-N 1 0 392.283 1.363 20 0 GDADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000892294696 658315649 /nfs/dbraw/zinc/31/56/49/658315649.db2.gz LWCXCHNXFBFMNQ-ZIAGYGMSSA-N 1 0 392.283 1.363 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000892354157 658320561 /nfs/dbraw/zinc/32/05/61/658320561.db2.gz QZGJLVROUPKRFQ-MQYQWHSLSA-N 1 0 385.555 1.527 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892359026 658321551 /nfs/dbraw/zinc/32/15/51/658321551.db2.gz UAINYFHFPIFYKD-NSHDSACASA-N 1 0 386.294 1.141 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000892358849 658321674 /nfs/dbraw/zinc/32/16/74/658321674.db2.gz SBQTWEGGWYVMFS-UHFFFAOYSA-N 1 0 380.290 1.896 20 0 GDADRO [NH3+]CC12CCC(CC1)N2C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000892465591 658328306 /nfs/dbraw/zinc/32/83/06/658328306.db2.gz RVOMKRVRIGKRSL-UIORMTCPSA-N 1 0 398.301 1.854 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)C1 ZINC000892548957 658332628 /nfs/dbraw/zinc/33/26/28/658332628.db2.gz LJZBZQVPBUNPCB-COPLHBTASA-N 1 0 388.281 1.776 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000892583124 658335000 /nfs/dbraw/zinc/33/50/00/658335000.db2.gz NBLAHFPUVUVRLD-ZBINZKHDSA-N 1 0 381.270 1.987 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCNC(=O)c3cccc(Br)c3)[C@@H]2C1 ZINC000892588382 658335387 /nfs/dbraw/zinc/33/53/87/658335387.db2.gz GSNRTPHPRNZNRM-UKRRQHHQSA-N 1 0 395.301 1.524 20 0 GDADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892659235 658340286 /nfs/dbraw/zinc/34/02/86/658340286.db2.gz YSWUPDUXNKJUOC-YPMHNXCESA-N 1 0 389.315 1.592 20 0 GDADRO Cc1ccc(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000892694414 658343399 /nfs/dbraw/zinc/34/33/99/658343399.db2.gz IJUJKAFAYJJWRB-OAHLLOKOSA-N 1 0 381.318 1.947 20 0 GDADRO O=S(=O)(NCC[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)c1cccc(Cl)c1 ZINC000892696324 658344004 /nfs/dbraw/zinc/34/40/04/658344004.db2.gz HPFVQRCCENDVHN-LSDHHAIUSA-N 1 0 392.880 1.842 20 0 GDADRO O=C(NCCOC(=O)C12CCC[NH+](CCC1)C2)c1cncc(Br)c1 ZINC000892705815 658344914 /nfs/dbraw/zinc/34/49/14/658344914.db2.gz RPJGIXKILKXIJW-UHFFFAOYSA-N 1 0 396.285 1.993 20 0 GDADRO CC(=O)OC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000892872704 658356932 /nfs/dbraw/zinc/35/69/32/658356932.db2.gz FQTFTTUPOFTNGD-ZWNOBZJWSA-N 1 0 393.221 1.572 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]CC(C)(C)NS(C)(=O)=O)C1 ZINC000892880996 658358282 /nfs/dbraw/zinc/35/82/82/658358282.db2.gz NQPOBYYBAKSWGF-QGZVFWFLSA-N 1 0 377.551 1.941 20 0 GDADRO CS[C@H]1CN(c2nc(Cl)ccc2S(N)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000893247908 658390013 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GDADRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cn(C)nc1I)CC2 ZINC000894026779 658496142 /nfs/dbraw/zinc/49/61/42/658496142.db2.gz HTCLCVPKOVUWBK-NSHDSACASA-N 1 0 389.237 1.800 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000894186939 658518099 /nfs/dbraw/zinc/51/80/99/658518099.db2.gz DZIMNAGHEMSLGR-NSHDSACASA-N 1 0 398.252 1.573 20 0 GDADRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1(F)F ZINC000894196749 658519660 /nfs/dbraw/zinc/51/96/60/658519660.db2.gz BAHGCFFRPIYKNQ-HONMWMINSA-N 1 0 376.425 1.642 20 0 GDADRO Cn1cc(C[NH2+]C2(CO)Cc3ccccc3C2)c(I)n1 ZINC000894258980 658529071 /nfs/dbraw/zinc/52/90/71/658529071.db2.gz NMQKLHUPVBEQJC-UHFFFAOYSA-N 1 0 383.233 1.644 20 0 GDADRO COc1cccc([C@H](O)C[NH2+]Cc2cn(C)nc2I)c1 ZINC000894261945 658530187 /nfs/dbraw/zinc/53/01/87/658530187.db2.gz XWAPERWHVBGJJU-CYBMUJFWSA-N 1 0 387.221 1.857 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1 ZINC000894263725 658530372 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CN(Cc1cscc1Br)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000897558749 658864111 /nfs/dbraw/zinc/86/41/11/658864111.db2.gz AWGRIAWSVNGUSX-LLVKDONJSA-N 1 0 386.315 1.822 20 0 GDADRO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C[C@H]1CS(N)(=O)=O ZINC000897607727 658872780 /nfs/dbraw/zinc/87/27/80/658872780.db2.gz NWDVFSZXOZRWEL-KGLIPLIRSA-N 1 0 387.933 1.533 20 0 GDADRO CC(C)(C)OC(=O)NCCC1CC([NH2+]CCS(=O)(=O)N2CCCC2)C1 ZINC000897828108 658892742 /nfs/dbraw/zinc/89/27/42/658892742.db2.gz OWNYCIBXIACATA-UHFFFAOYSA-N 1 0 375.535 1.695 20 0 GDADRO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897831227 658893581 /nfs/dbraw/zinc/89/35/81/658893581.db2.gz GKTQUNZWTIRBQM-DOMZBBRYSA-N 1 0 387.249 1.459 20 0 GDADRO O=C(COCCc1ccc(Br)cc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000897881515 658897235 /nfs/dbraw/zinc/89/72/35/658897235.db2.gz WMOKAAIERHVKNH-KRWDZBQOSA-N 1 0 399.329 1.971 20 0 GDADRO C[C@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000897978453 658907873 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COC(=O)c1ccc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)c(Br)c1 ZINC000898329201 658927220 /nfs/dbraw/zinc/92/72/20/658927220.db2.gz HUJNNEOZZCWGLB-UHFFFAOYSA-N 1 0 396.241 1.678 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1 ZINC000898364808 658928788 /nfs/dbraw/zinc/92/87/88/658928788.db2.gz PWYQMMZZVUNLBV-GFCCVEGCSA-N 1 0 382.873 1.608 20 0 GDADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2nc3ncc(Br)cn3n2)C12CCC2 ZINC000898842705 658961637 /nfs/dbraw/zinc/96/16/37/658961637.db2.gz XDGBKBSIMNCVCX-WDEREUQCSA-N 1 0 379.262 1.489 20 0 GDADRO C[N@H+](CCO)CCNC(=O)c1cc(I)c(F)cc1F ZINC000899736781 659056449 /nfs/dbraw/zinc/05/64/49/659056449.db2.gz UDZRWDDDDNLISE-UHFFFAOYSA-N 1 0 384.164 1.223 20 0 GDADRO O=C(Nc1cc2c(cc1Br)OCCO2)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900039745 659084398 /nfs/dbraw/zinc/08/43/98/659084398.db2.gz NLANMFFRVHNULD-LLVKDONJSA-N 1 0 383.242 1.880 20 0 GDADRO C[NH+](C)C[C@H]1NC(=O)N(c2ccnn2Cc2cccc(Br)c2)C1=O ZINC000900226415 659093250 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GDADRO CC(C)[NH+]1CCN(CCCC(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000901012886 659179815 /nfs/dbraw/zinc/17/98/15/659179815.db2.gz QXGDTWLTCWSJDS-UHFFFAOYSA-N 1 0 399.333 1.893 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000901105660 659190256 /nfs/dbraw/zinc/19/02/56/659190256.db2.gz JAPRSAICROOVAG-GFCCVEGCSA-N 1 0 398.305 1.044 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H](O)c1cccc(Br)c1 ZINC000901140638 659196085 /nfs/dbraw/zinc/19/60/85/659196085.db2.gz UUSZCXARAGIFBU-CVEARBPZSA-N 1 0 385.302 1.836 20 0 GDADRO CCO[C@@H](CNC(=O)c1ncc(I)s1)C[NH+](C)C ZINC000902972488 659285844 /nfs/dbraw/zinc/28/58/44/659285844.db2.gz VBURQKGTZXVQPK-QMMMGPOBSA-N 1 0 383.255 1.444 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCNS(C)(=O)=O)CC(C)(C)C1 ZINC000903062045 659293572 /nfs/dbraw/zinc/29/35/72/659293572.db2.gz NGWKVEMWCPBHTF-AWEZNQCLSA-N 1 0 377.551 1.941 20 0 GDADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000903174808 659298818 /nfs/dbraw/zinc/29/88/18/659298818.db2.gz JZBMXCJGQLWDMM-SJORKVTESA-N 1 0 388.555 1.523 20 0 GDADRO CO[C@@]1(C[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CCSC1 ZINC000903313931 659313003 /nfs/dbraw/zinc/31/30/03/659313003.db2.gz CSBBOXFUPIZCEG-MRXNPFEDSA-N 1 0 388.559 1.291 20 0 GDADRO O=S(=O)(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1coc2ccccc21 ZINC000903497565 659318870 /nfs/dbraw/zinc/31/88/70/659318870.db2.gz KERBOSSIGSOQML-CQSZACIVSA-N 1 0 377.388 1.547 20 0 GDADRO O=S(=O)(Cc1cccc(F)c1Br)NCCCN1CC[NH2+]CC1 ZINC000903510178 659320917 /nfs/dbraw/zinc/32/09/17/659320917.db2.gz DUGJWQPNALCBRA-UHFFFAOYSA-N 1 0 394.310 1.303 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)N1CCC[NH2+]CC1 ZINC000903511161 659321715 /nfs/dbraw/zinc/32/17/15/659321715.db2.gz QZTDIALORSQLAO-UHFFFAOYSA-N 1 0 377.260 1.303 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1F ZINC000903512906 659322589 /nfs/dbraw/zinc/32/25/89/659322589.db2.gz CDSSJCQHWXIZNM-WPRPVWTQSA-N 1 0 381.267 1.955 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)C[C@H]1C(F)(F)F ZINC000903515487 659323732 /nfs/dbraw/zinc/32/37/32/659323732.db2.gz PIPLTCOFUHJMED-GMSGAONNSA-N 1 0 382.795 1.974 20 0 GDADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903517096 659324282 /nfs/dbraw/zinc/32/42/82/659324282.db2.gz FADICLKPQINBPY-FBIMIBRVSA-N 1 0 384.171 1.936 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1F ZINC000903518815 659326260 /nfs/dbraw/zinc/32/62/60/659326260.db2.gz XZLOKDPUSXQEPT-IUCAKERBSA-N 1 0 381.267 1.955 20 0 GDADRO COCc1ccc(C(=O)OC)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000903525598 659329521 /nfs/dbraw/zinc/32/95/21/659329521.db2.gz XAXZZZDNOXAZCR-LBPRGKRZSA-N 1 0 384.376 1.130 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCCN2S(=O)(=O)Cc1ncsc1Br ZINC000903531861 659331560 /nfs/dbraw/zinc/33/15/60/659331560.db2.gz QGMGZCLICMLVCQ-JOYOIKCWSA-N 1 0 380.333 1.939 20 0 GDADRO [NH3+][C@@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC[C@@H]1C(F)(F)F ZINC000903534252 659332014 /nfs/dbraw/zinc/33/20/14/659332014.db2.gz DATFTYQKAMYDEO-QWHCGFSZSA-N 1 0 381.420 1.776 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])ccc1Cl ZINC000903536238 659332520 /nfs/dbraw/zinc/33/25/20/659332520.db2.gz BFQRTKZGWBBSGZ-ABAIWWIYSA-N 1 0 392.930 1.636 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000903537866 659332757 /nfs/dbraw/zinc/33/27/57/659332757.db2.gz FUEVSKMKFPYUTH-UHFFFAOYSA-N 1 0 381.267 1.717 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903537214 659332963 /nfs/dbraw/zinc/33/29/63/659332963.db2.gz PDFQGQJUXUXPGL-SUMWQHHRSA-N 1 0 385.917 1.934 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1Br ZINC000903545539 659336208 /nfs/dbraw/zinc/33/62/08/659336208.db2.gz SWSPFCGTSAQWKT-LBPRGKRZSA-N 1 0 389.315 1.886 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)/C=C/c1ccccc1Cl)C2 ZINC000903551315 659338343 /nfs/dbraw/zinc/33/83/43/659338343.db2.gz FFOLXEKVKWLCDD-DUURVRDBSA-N 1 0 384.885 1.853 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC2(C)C)c(Br)c1 ZINC000903553363 659338768 /nfs/dbraw/zinc/33/87/68/659338768.db2.gz DHLDLCWZCRITLQ-LBPRGKRZSA-N 1 0 391.287 1.512 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1cc(Cl)ccc1F)C2 ZINC000903551809 659338854 /nfs/dbraw/zinc/33/88/54/659338854.db2.gz ZTRKODZIRAZTPB-ISOBSLSZSA-N 1 0 376.837 1.380 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)C[C@@H]1CCCCC1(F)F)C2 ZINC000903552646 659338914 /nfs/dbraw/zinc/33/89/14/659338914.db2.gz RRJBRENCOJWHJY-XPCVCDNBSA-N 1 0 380.457 1.354 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)s1 ZINC000903560766 659341119 /nfs/dbraw/zinc/34/11/19/659341119.db2.gz OEUXYENEBHMHAQ-NWANDNLSSA-N 1 0 385.555 1.624 20 0 GDADRO C[C@@]1(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1(Cl)Cl ZINC000903562176 659341659 /nfs/dbraw/zinc/34/16/59/659341659.db2.gz FYFRAFMMIDKPQI-ZNMIVQPWSA-N 1 0 396.384 1.801 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1OC ZINC000903562301 659341688 /nfs/dbraw/zinc/34/16/88/659341688.db2.gz BKXZQEQMAYCBOG-JMJZKYOTSA-N 1 0 391.287 1.638 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000903565157 659342441 /nfs/dbraw/zinc/34/24/41/659342441.db2.gz SKOZOEIQKVMUAK-ADEWGFFLSA-N 1 0 389.271 1.407 20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000903565405 659343184 /nfs/dbraw/zinc/34/31/84/659343184.db2.gz JNLRMQBNFXZKTH-UHFFFAOYSA-N 1 0 390.347 1.600 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1F ZINC000903570357 659344299 /nfs/dbraw/zinc/34/42/99/659344299.db2.gz CUZYFNIQVKBOFZ-ZYHUDNBSSA-N 1 0 384.351 1.513 20 0 GDADRO C[NH2+]CCN(CC(=O)NCC(=O)Nc1ccccc1Br)C(C)C ZINC000903570431 659344804 /nfs/dbraw/zinc/34/48/04/659344804.db2.gz IFFVEKBRTFVTEQ-UHFFFAOYSA-N 1 0 385.306 1.434 20 0 GDADRO COC(=O)c1cccc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903578010 659348850 /nfs/dbraw/zinc/34/88/50/659348850.db2.gz APVOSXSCPFCBIH-CHWSQXEVSA-N 1 0 380.388 1.515 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C2 ZINC000903580108 659351056 /nfs/dbraw/zinc/35/10/56/659351056.db2.gz UAQFIPITABGELK-DCAQKATOSA-N 1 0 398.428 1.480 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)s1 ZINC000903580133 659351104 /nfs/dbraw/zinc/35/11/04/659351104.db2.gz SGSLRZQEEVMASQ-MNOVXSKESA-N 1 0 385.433 1.284 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)s1 ZINC000903587664 659354905 /nfs/dbraw/zinc/35/49/05/659354905.db2.gz ZPFIWAOIVXSQEV-VIFPVBQESA-N 1 0 397.316 1.655 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c(Cl)s1 ZINC000903593746 659357435 /nfs/dbraw/zinc/35/74/35/659357435.db2.gz UQMHFTDEOAUUBU-LBPRGKRZSA-N 1 0 384.932 1.322 20 0 GDADRO [NH3+]CCc1ccc2c(c1)CCCN2S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000903599617 659358932 /nfs/dbraw/zinc/35/89/32/659358932.db2.gz YKDPKPWVPLTXSG-HNNXBMFYSA-N 1 0 386.539 1.095 20 0 GDADRO CC[NH+]1CCN(c2ccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc2)CC1 ZINC000903605018 659360548 /nfs/dbraw/zinc/36/05/48/659360548.db2.gz TUNWBQVZNXEGOR-XMMPIXPASA-N 1 0 389.547 1.060 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C[C@H]1CC[NH3+] ZINC000903714046 659377669 /nfs/dbraw/zinc/37/76/69/659377669.db2.gz LDCSFVWWTZBQRU-TZMCWYRMSA-N 1 0 382.302 1.851 20 0 GDADRO O=C1NCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]1c1cccc(Br)c1 ZINC000903755136 659379063 /nfs/dbraw/zinc/37/90/63/659379063.db2.gz BHXPNGYPJSDGKY-JZXOWHBKSA-N 1 0 394.313 1.691 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)C[C@@H]1C(F)(F)F ZINC000903777098 659380131 /nfs/dbraw/zinc/38/01/31/659380131.db2.gz RHFNEQTVAGNGQN-VGMNWLOBSA-N 1 0 393.353 1.088 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)CC[C@@H]1C(F)(F)F ZINC000903787028 659380489 /nfs/dbraw/zinc/38/04/89/659380489.db2.gz HKLVWQJJGQUSIN-YIZRAAEISA-N 1 0 393.353 1.231 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000903830678 659382569 /nfs/dbraw/zinc/38/25/69/659382569.db2.gz HVMRMGPSIPTXIB-CJNGLKHVSA-N 1 0 384.318 1.937 20 0 GDADRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903970031 659391211 /nfs/dbraw/zinc/39/12/11/659391211.db2.gz PCHBYGIFYBSWLV-HIFRSBDPSA-N 1 0 387.933 1.732 20 0 GDADRO C[C@@H](C[NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cccc(Br)c1 ZINC000903969558 659391233 /nfs/dbraw/zinc/39/12/33/659391233.db2.gz ZUGJBXJAWKMSSG-SWLSCSKDSA-N 1 0 375.332 1.919 20 0 GDADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)c(Cl)c1 ZINC000903970220 659391628 /nfs/dbraw/zinc/39/16/28/659391628.db2.gz SJFWMTQWVJZJAX-UONOGXRCSA-N 1 0 387.933 1.732 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(Cc3cccc(Cl)c3F)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904085298 659394705 /nfs/dbraw/zinc/39/47/05/659394705.db2.gz YPJDECGPMRZBAM-GVXVVHGQSA-N 1 0 385.848 1.628 20 0 GDADRO O=C1Nc2c(cccc2Br)[C@@H]1Cc1nc(N2CC[NH2+]CC2)no1 ZINC000904740752 659407706 /nfs/dbraw/zinc/40/77/06/659407706.db2.gz NQECAKGFXBUFED-JTQLQIEISA-N 1 0 378.230 1.520 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000904998867 659415843 /nfs/dbraw/zinc/41/58/43/659415843.db2.gz DQLMTBYASSPNSG-CXAGYDPISA-N 1 0 380.286 1.747 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905007681 659416805 /nfs/dbraw/zinc/41/68/05/659416805.db2.gz MNUGTMSOFNBRQG-LKFCYVNXSA-N 1 0 376.404 1.460 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)s1 ZINC000905024311 659417756 /nfs/dbraw/zinc/41/77/56/659417756.db2.gz KLWIHASUUILMSL-GOEBONIOSA-N 1 0 384.523 1.621 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905080554 659421341 /nfs/dbraw/zinc/42/13/41/659421341.db2.gz NCJBHAGQDIEFPR-AWEZNQCLSA-N 1 0 387.274 1.188 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)C2(O)CCCC2)s1 ZINC000905092008 659422351 /nfs/dbraw/zinc/42/23/51/659422351.db2.gz BTVMFLKFVKLBKV-HNNXBMFYSA-N 1 0 390.571 1.577 20 0 GDADRO CN(C)[S@](C)(=O)=NC(=O)CONC(=[NH2+])c1ccccc1Br ZINC000905103299 659424391 /nfs/dbraw/zinc/42/43/91/659424391.db2.gz IFVJGIBNHUOKFH-OAQYLSRUSA-N 1 0 377.264 1.397 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]C[C@H](O)CC2(O)CCCC2)CC1)C(F)(F)F ZINC000905109592 659424779 /nfs/dbraw/zinc/42/47/79/659424779.db2.gz KYTQNLSRPAFUKS-CYBMUJFWSA-N 1 0 388.452 1.194 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@@H]2CSCCS2)CCC1 ZINC000905159900 659427616 /nfs/dbraw/zinc/42/76/16/659427616.db2.gz OPBBHLWWCLIZRW-CHWSQXEVSA-N 1 0 382.617 1.426 20 0 GDADRO Cc1nc(CC[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)sc1C ZINC000905167792 659428460 /nfs/dbraw/zinc/42/84/60/659428460.db2.gz VWVZHULTJRZVLF-CQSZACIVSA-N 1 0 389.587 1.894 20 0 GDADRO CSc1cc(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)ccn1 ZINC000905197481 659431814 /nfs/dbraw/zinc/43/18/14/659431814.db2.gz WPDQFHDEAUECRO-CQSZACIVSA-N 1 0 387.571 1.895 20 0 GDADRO C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC000905208746 659433438 /nfs/dbraw/zinc/43/34/38/659433438.db2.gz MQHWQRXIGCVUCS-OWCLPIDISA-N 1 0 376.563 1.783 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]C[C@H]2CCOC(C)(C)C2)CCC1 ZINC000905279487 659439132 /nfs/dbraw/zinc/43/91/32/659439132.db2.gz JKQWGMIYASROMY-GJZGRUSLSA-N 1 0 376.563 1.783 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000905341867 659444348 /nfs/dbraw/zinc/44/43/48/659444348.db2.gz CUILAVCETYSBTF-CYBMUJFWSA-N 1 0 375.897 1.977 20 0 GDADRO CC1CC[NH+](CCCNC(=O)c2cn(C)nc2I)CC1 ZINC000905343979 659444370 /nfs/dbraw/zinc/44/43/70/659444370.db2.gz MNQBTEFMHGHMIE-UHFFFAOYSA-N 1 0 390.269 1.877 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@H](O)C2CCCCC2)CCC1 ZINC000905339507 659444380 /nfs/dbraw/zinc/44/43/80/659444380.db2.gz AYLBAOOHBSKTTD-JKSUJKDBSA-N 1 0 376.563 1.519 20 0 GDADRO CCOC(=O)c1sc([C@@H](C)NS(=O)(=O)CC2CC[NH2+]CC2)nc1C ZINC000905343027 659444506 /nfs/dbraw/zinc/44/45/06/659444506.db2.gz LYNIKSLLQQJCFJ-LLVKDONJSA-N 1 0 375.516 1.608 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CCC1 ZINC000905383043 659449996 /nfs/dbraw/zinc/44/99/96/659449996.db2.gz QWRJQPFBEDTGKT-KKUMJFAQSA-N 1 0 376.563 1.924 20 0 GDADRO CC(C)C[NH+]1CCN(C(=O)c2cn(C)nc2I)CC1 ZINC000905380219 659450149 /nfs/dbraw/zinc/45/01/49/659450149.db2.gz JAFFDKRMPGWMCC-UHFFFAOYSA-N 1 0 376.242 1.439 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@@H]2CCC(C)(C)CO2)CCC1 ZINC000905416923 659452036 /nfs/dbraw/zinc/45/20/36/659452036.db2.gz HNQIBOMUZMXEAW-LSDHHAIUSA-N 1 0 376.563 1.783 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c1 ZINC000905479336 659457324 /nfs/dbraw/zinc/45/73/24/659457324.db2.gz WVECXZAZCMQDOG-CYBMUJFWSA-N 1 0 376.906 1.402 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@H](O)CC2(CO)CCCC2)CCC1 ZINC000905520818 659461164 /nfs/dbraw/zinc/46/11/64/659461164.db2.gz KWIUIDIQNJZOSB-OAHLLOKOSA-N 1 0 376.563 1.520 20 0 GDADRO C[NH+](C)CCNC(=S)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000905554170 659464328 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C[NH+]1CCC2(CCN2S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000907856721 659839406 /nfs/dbraw/zinc/83/94/06/659839406.db2.gz DZHPARNULGHBFD-UHFFFAOYSA-N 1 0 380.333 1.906 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)Cn1nc(Br)c(Br)n1 ZINC000907877996 659840864 /nfs/dbraw/zinc/84/08/64/659840864.db2.gz XQJNGAFBXQSPTR-MRVPVSSYSA-N 1 0 397.115 1.650 20 0 GDADRO O=C(COCCc1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000908028261 659857670 /nfs/dbraw/zinc/85/76/70/659857670.db2.gz MBHKHPREDFBZPU-QGZVFWFLSA-N 1 0 396.329 1.514 20 0 GDADRO Cc1nc(CC(F)(F)F)sc1CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000908030046 659858550 /nfs/dbraw/zinc/85/85/50/659858550.db2.gz WNCOYKZGNGAZGU-GFCCVEGCSA-N 1 0 376.448 1.605 20 0 GDADRO O=C(NCCOc1ccc(I)cc1)C12CC[NH+](CC1)C2 ZINC000908038717 659859326 /nfs/dbraw/zinc/85/93/26/659859326.db2.gz YSWQOUDCMGXDHZ-UHFFFAOYSA-N 1 0 386.233 1.882 20 0 GDADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C3CN(S(C)(=O)=O)C3)C2)s1 ZINC000908082419 659866343 /nfs/dbraw/zinc/86/63/43/659866343.db2.gz 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C[NH+](C)CCn1cc(C(=O)Nc2nc3cc(Br)cnc3[nH]2)cn1 ZINC000908455043 659910002 /nfs/dbraw/zinc/91/00/02/659910002.db2.gz PTPZZUHTLLRTPG-UHFFFAOYSA-N 1 0 378.234 1.731 20 0 GDADRO Cn1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c(I)n1 ZINC000909914236 659958627 /nfs/dbraw/zinc/95/86/27/659958627.db2.gz KGTJIWLALNYDAQ-SNVBAGLBSA-N 1 0 376.242 1.486 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)c2nn(C)cc2I)[C@@H](C)C1 ZINC000910265582 659966543 /nfs/dbraw/zinc/96/65/43/659966543.db2.gz IAHVHMKCVYGRGE-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000910953605 659989302 /nfs/dbraw/zinc/98/93/02/659989302.db2.gz SVSRRRDEQQNZMT-LLVKDONJSA-N 1 0 387.311 1.710 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000910999566 659990515 /nfs/dbraw/zinc/99/05/15/659990515.db2.gz MOVOPILSKVRQOX-IUODEOHRSA-N 1 0 394.313 1.711 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911030169 659991303 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CC[NH+](CC)CCO[C@H]1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189610 945649504 /nfs/dbraw/zinc/64/95/04/945649504.db2.gz QFRXAEHGXAGGOU-KRWDZBQOSA-N 1 0 387.488 1.238 20 0 GDADRO O=C(Cn1ccnc1)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271741 945649861 /nfs/dbraw/zinc/64/98/61/945649861.db2.gz IRXMPBUFLCKROL-GXTWGEPZSA-N 1 0 386.485 1.199 20 0 GDADRO O=C(Cn1ccnc1)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271742 945649942 /nfs/dbraw/zinc/64/99/42/945649942.db2.gz IRXMPBUFLCKROL-JSGCOSHPSA-N 1 0 386.485 1.199 20 0 GDADRO O=C(Cc1cnc[nH]1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272105 945655726 /nfs/dbraw/zinc/65/57/26/945655726.db2.gz PISRBROIADOEQX-LBPRGKRZSA-N 1 0 386.485 1.222 20 0 GDADRO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)[C@@H]1C ZINC001571272300 945659520 /nfs/dbraw/zinc/65/95/20/945659520.db2.gz REKMVUWUIIJHKC-YPMHNXCESA-N 1 0 386.485 1.363 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)[C@@H](C)C2)n1 ZINC001571272541 945665450 /nfs/dbraw/zinc/66/54/50/945665450.db2.gz VWYKEVUMDJVSTB-NWDGAFQWSA-N 1 0 386.485 1.743 20 0 GDADRO O=C(Cn1ccnc1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272547 945665532 /nfs/dbraw/zinc/66/55/32/945665532.db2.gz WAIWXJMXGOIEQR-ZDUSSCGKSA-N 1 0 386.485 1.153 20 0 GDADRO Cc1nc(NC[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)ccc1-c1nn[nH]n1 ZINC001571272568 945665747 /nfs/dbraw/zinc/66/57/47/945665747.db2.gz WXQFLAIOSHMVBR-RHSMWYFYSA-N 1 0 386.504 1.417 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCCCC[C@H]([NH2+]Cc2cnns2)C1 ZINC001571281669 945810764 /nfs/dbraw/zinc/81/07/64/945810764.db2.gz LEFGKBKNJDFHPC-LBPRGKRZSA-N 1 0 387.473 1.221 20 0 GDADRO CCc1nc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571281978 945822586 /nfs/dbraw/zinc/82/25/86/945822586.db2.gz QMEIDROCGUIYSL-KRWDZBQOSA-N 1 0 387.469 1.873 20 0 GDADRO O=C(c1nccs1)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571282135 945830817 /nfs/dbraw/zinc/83/08/17/945830817.db2.gz DWAOTMHKOGMVGG-CYBMUJFWSA-N 1 0 387.444 1.857 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000821702295 945838154 /nfs/dbraw/zinc/83/81/54/945838154.db2.gz ORHSWSPNFCTDAE-MRXNPFEDSA-N 1 0 388.472 1.051 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282628 945855851 /nfs/dbraw/zinc/85/58/51/945855851.db2.gz MQVCPVHSHTZZAX-GOEBONIOSA-N 1 0 387.463 1.038 20 0 GDADRO CO[C@H](C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)C1CCCC1 ZINC001571283175 945878913 /nfs/dbraw/zinc/87/89/13/945878913.db2.gz ASKVPHHEOMDAMG-SUMWQHHRSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)c1cc(Cl)no1 ZINC001571283202 945879503 /nfs/dbraw/zinc/87/95/03/945879503.db2.gz BMEPQPQYQIZRRW-MFKMUULPSA-N 1 0 387.831 1.901 20 0 GDADRO CC[C@H](C(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571283399 945882212 /nfs/dbraw/zinc/88/22/12/945882212.db2.gz FCWXCJKSYMSQNC-ZIAGYGMSSA-N 1 0 387.492 1.180 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[nH]n2)nn1)[NH+](C)C ZINC001571283241 945883791 /nfs/dbraw/zinc/88/37/91/945883791.db2.gz CPHZPJNSOQTWHH-BBRMVZONSA-N 1 0 387.492 1.036 20 0 GDADRO CO[C@H](C[NH+]1CCC(C)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)C1CCC1 ZINC001571284204 945896203 /nfs/dbraw/zinc/89/62/03/945896203.db2.gz MWEMERXJOLCPGL-MRXNPFEDSA-N 1 0 387.488 1.594 20 0 GDADRO CC(=O)N[C@](C)(C(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573456762 945897308 /nfs/dbraw/zinc/89/73/08/945897308.db2.gz OIJRJQLRIBRCQX-YJYMSZOUSA-N 1 0 387.488 1.012 20 0 GDADRO CO[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)C1CCCC1 ZINC001571284414 945900695 /nfs/dbraw/zinc/90/06/95/945900695.db2.gz QDOHSCKIKYZZKT-CSMYWGQOSA-N 1 0 387.488 1.450 20 0 GDADRO CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573460805 945918391 /nfs/dbraw/zinc/91/83/91/945918391.db2.gz MBNKROIXJMJQAF-STQMWFEESA-N 1 0 387.488 1.154 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@H]1CCOC1 ZINC001571287627 945975869 /nfs/dbraw/zinc/97/58/69/945975869.db2.gz GKBMSWBPULRTAU-AEGPPILISA-N 1 0 388.447 1.417 20 0 GDADRO CCOC1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571288098 945982799 /nfs/dbraw/zinc/98/27/99/945982799.db2.gz MAKKXPOSDXCQJB-SLTAFYQDSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@H]1CCCOC1 ZINC001571288295 945986054 /nfs/dbraw/zinc/98/60/54/945986054.db2.gz NNKLDHCVIVBSIC-SLTAFYQDSA-N 1 0 388.447 1.417 20 0 GDADRO O=C(C1CCOCC1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288701 945990385 /nfs/dbraw/zinc/99/03/85/945990385.db2.gz RIUVNRMPDPDOAB-AWEZNQCLSA-N 1 0 388.447 1.371 20 0 GDADRO C[NH+](C)C1(C(=O)N2CC[C@@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)CCC1 ZINC001571290217 946033773 /nfs/dbraw/zinc/03/37/73/946033773.db2.gz XUVAUAZPXMHZDE-LBPRGKRZSA-N 1 0 388.451 1.146 20 0 GDADRO Cc1cc(N2CC[C@H](N(C)C(=O)C3(F)CCOCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571293452 946105228 /nfs/dbraw/zinc/10/52/28/946105228.db2.gz IVBIADRYASWTLT-ZDUSSCGKSA-N 1 0 389.435 1.126 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(-c2nn[nH]n2)c1C ZINC000822541013 946119381 /nfs/dbraw/zinc/11/93/81/946119381.db2.gz KODMUTAITSSAHJ-JSGCOSHPSA-N 1 0 398.471 1.702 20 0 GDADRO O=C(N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C1(F)CCOCC1 ZINC001571293954 946120782 /nfs/dbraw/zinc/12/07/82/946120782.db2.gz WXHVQQQAGXATHG-CYBMUJFWSA-N 1 0 389.435 1.256 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001571294555 946139288 /nfs/dbraw/zinc/13/92/88/946139288.db2.gz JFNSMZKQFQSJJQ-GFCCVEGCSA-N 1 0 389.822 1.992 20 0 GDADRO O=C(c1cc(Cl)c[nH]1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571295107 946155305 /nfs/dbraw/zinc/15/53/05/946155305.db2.gz TUMQIINXHWBZQW-CYBMUJFWSA-N 1 0 389.822 1.992 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295451 946165243 /nfs/dbraw/zinc/16/52/43/946165243.db2.gz TWRUFSXWYHTPKN-KBPBESRZSA-N 1 0 389.529 1.351 20 0 GDADRO O=C([C@@H]1C[C@H]1c1ccncc1)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571297852 946198930 /nfs/dbraw/zinc/19/89/30/946198930.db2.gz BGYRQFQBJCRINR-OWCLPIDISA-N 1 0 390.451 1.285 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1n[nH]cc1F ZINC001571298340 946213649 /nfs/dbraw/zinc/21/36/49/946213649.db2.gz FBALXNSXKFWVBK-NXEZZACHSA-N 1 0 390.448 1.621 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1=COCCO1 ZINC001571298436 946215404 /nfs/dbraw/zinc/21/54/04/946215404.db2.gz NUCMGAXZMNJUQK-VXGBXAGGSA-N 1 0 390.469 1.333 20 0 GDADRO O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1-c1nn[nH]n1)C2)c1ncccn1 ZINC001571298764 946228401 /nfs/dbraw/zinc/22/84/01/946228401.db2.gz QOOIOBLJDUPYPO-IMJJTQAJSA-N 1 0 390.451 1.440 20 0 GDADRO C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001571298815 946229866 /nfs/dbraw/zinc/22/98/66/946229866.db2.gz DUTKUITWAPHWGO-FZMZJTMJSA-N 1 0 390.879 1.270 20 0 GDADRO O=C(CC[NH+]1CCN(c2cccc(O)c2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822969540 946241203 /nfs/dbraw/zinc/24/12/03/946241203.db2.gz PZAQYUAZIBMUFA-UHFFFAOYSA-N 1 0 393.451 1.723 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC001571299625 946255770 /nfs/dbraw/zinc/25/57/70/946255770.db2.gz NRJAFWYPFQCNBF-CQSZACIVSA-N 1 0 390.513 1.920 20 0 GDADRO C[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)[C@@H]1CCCO1 ZINC001571299863 946264145 /nfs/dbraw/zinc/26/41/45/946264145.db2.gz PSNVMFIEVSXOEM-DOMZBBRYSA-N 1 0 390.513 1.824 20 0 GDADRO CC(C)(C(=O)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1)C(F)F ZINC001571302202 946294444 /nfs/dbraw/zinc/29/44/44/946294444.db2.gz REQVDEUWIZQEFJ-SFHVURJKSA-N 1 0 391.426 1.982 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2CC23CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC3)nn1 ZINC001571303008 946321163 /nfs/dbraw/zinc/32/11/63/946321163.db2.gz JFIVMAKLJBUQEC-INIZCTEOSA-N 1 0 391.439 1.149 20 0 GDADRO COc1cc(C)ccc1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571303890 946350627 /nfs/dbraw/zinc/35/06/27/946350627.db2.gz SCCYPWPZUHVSCP-HWWDLCQESA-N 1 0 391.435 1.443 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001571306364 946396346 /nfs/dbraw/zinc/39/63/46/946396346.db2.gz UHMAPEVPWKPVHI-KSSFIOAISA-N 1 0 391.479 1.804 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001571306365 946398253 /nfs/dbraw/zinc/39/82/53/946398253.db2.gz UHMAPEVPWKPVHI-RDTXWAMCSA-N 1 0 391.479 1.804 20 0 GDADRO Cc1cncc(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)[C@H]2C)c1 ZINC001571306665 946406860 /nfs/dbraw/zinc/40/68/60/946406860.db2.gz MZEXOBNEPYNKOV-BEFAXECRSA-N 1 0 391.479 1.892 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CC2(F)F)cc1-c1nn[nH]n1 ZINC001571307527 946423282 /nfs/dbraw/zinc/42/32/82/946423282.db2.gz DESRVUKMOLOFCS-OCCSQVGLSA-N 1 0 392.410 1.611 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC001571308045 946429727 /nfs/dbraw/zinc/42/97/27/946429727.db2.gz KQGPPZXXBFWPDV-KBPBESRZSA-N 1 0 392.410 1.563 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571313501 946522301 /nfs/dbraw/zinc/52/23/01/946522301.db2.gz QKLOWLKRRAHJHG-SGTLLEGYSA-N 1 0 392.467 1.718 20 0 GDADRO Cc1cc(NC[C@@H]2CCC[C@@H]2NC(=O)Cc2cccnc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314780 946544317 /nfs/dbraw/zinc/54/43/17/946544317.db2.gz CRJRPABLBRKSJV-RDJZCZTQSA-N 1 0 392.467 1.327 20 0 GDADRO Cc1cc(C)nc(C(=O)NC[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571315642 946555732 /nfs/dbraw/zinc/55/57/32/946555732.db2.gz MVRMKHDBXCOKNY-GASCZTMLSA-N 1 0 392.467 1.624 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C23CCC3)n1 ZINC001571316158 946568095 /nfs/dbraw/zinc/56/80/95/946568095.db2.gz VCLLJLBWYFQXHH-HZPDHXFCSA-N 1 0 392.467 1.729 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)Cc3ccncc3C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316274 946570928 /nfs/dbraw/zinc/57/09/28/946570928.db2.gz YEQBGFBTZPNLIC-RHSMWYFYSA-N 1 0 392.467 1.339 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCCc2n[nH]cc21 ZINC001571316336 946574367 /nfs/dbraw/zinc/57/43/67/946574367.db2.gz ACIKGDNWFXLXGU-JKSUJKDBSA-N 1 0 392.467 1.400 20 0 GDADRO O=C(Cc1c[nH]cn1)N[C@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nn[nH]n1)CC2 ZINC001571316398 946575778 /nfs/dbraw/zinc/57/57/78/946575778.db2.gz BJIKKLGFUZCLHV-XLIONFOSSA-N 1 0 392.467 1.446 20 0 GDADRO Cc1cncc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cc(-c4nn[nH]n4)c[nH]2)C3)c1 ZINC001571316455 946577094 /nfs/dbraw/zinc/57/70/94/946577094.db2.gz CWEVMGRECJLTPC-XKQJLSEDSA-N 1 0 392.467 1.681 20 0 GDADRO O=C(NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnc2n1CCC2 ZINC001571317030 946596209 /nfs/dbraw/zinc/59/62/09/946596209.db2.gz SNISKNMKAYYXNR-HNNXBMFYSA-N 1 0 392.467 1.261 20 0 GDADRO Cn1cnc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571317056 946598482 /nfs/dbraw/zinc/59/84/82/946598482.db2.gz UGVOGOXQWHLJFZ-YJBOKZPZSA-N 1 0 392.467 1.337 20 0 GDADRO Cc1cnc(C(=O)N2C[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)c(C)c1 ZINC001571317223 946605003 /nfs/dbraw/zinc/60/50/03/946605003.db2.gz YHDXQURTLXXUGM-HUUCEWRRSA-N 1 0 392.467 1.516 20 0 GDADRO CC[C@@H](C(=O)N1CCC[C@H]1CN(C)c1snc(C)c1-c1nn[nH]n1)[NH+](C)C ZINC001571317511 946611541 /nfs/dbraw/zinc/61/15/41/946611541.db2.gz KNCLYADIJCKOKV-STQMWFEESA-N 1 0 392.533 1.399 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cn2c(n1)CCC2 ZINC001571317599 946617093 /nfs/dbraw/zinc/61/70/93/946617093.db2.gz OCARZOKUGREANY-CTYIDZIISA-N 1 0 392.467 1.308 20 0 GDADRO CC[C@@H](C(=O)N1CC[C@@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1)[NH+](C)C ZINC001571317950 946624811 /nfs/dbraw/zinc/62/48/11/946624811.db2.gz ZVJXCUOTUPMALK-FZMZJTMJSA-N 1 0 392.895 1.516 20 0 GDADRO Brc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001573279061 946630135 /nfs/dbraw/zinc/63/01/35/946630135.db2.gz DJWUSKKFPIDXEQ-BZPMIXESSA-N 1 0 380.246 1.523 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824412594 946693691 /nfs/dbraw/zinc/69/36/91/946693691.db2.gz BLIHPPKXNJANJV-CQSZACIVSA-N 1 0 393.451 1.442 20 0 GDADRO CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573540923 946781831 /nfs/dbraw/zinc/78/18/31/946781831.db2.gz KTWFHMHYMXZQNH-CXAGYDPISA-N 1 0 387.488 1.012 20 0 GDADRO CCC(=O)N1CCC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825034011 947051819 /nfs/dbraw/zinc/05/18/19/947051819.db2.gz CFYNDQAQQPIEIR-UHFFFAOYSA-N 1 0 394.483 1.712 20 0 GDADRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC000825139134 947095497 /nfs/dbraw/zinc/09/54/97/947095497.db2.gz CCNNEIBCMWWEES-MRXNPFEDSA-N 1 0 379.486 1.435 20 0 GDADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2noc(C)c2-c2nn[nH]n2)C1 ZINC000825191418 947112967 /nfs/dbraw/zinc/11/29/67/947112967.db2.gz BQVLPURDTVMBMA-CYBMUJFWSA-N 1 0 375.477 1.722 20 0 GDADRO C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586582 947291843 /nfs/dbraw/zinc/29/18/43/947291843.db2.gz REXXXMZNCJTFGO-KBPBESRZSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573586796 947294378 /nfs/dbraw/zinc/29/43/78/947294378.db2.gz TYFVIIDDEVIEIW-UONOGXRCSA-N 1 0 382.472 1.340 20 0 GDADRO CN(C)C(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825839019 947344368 /nfs/dbraw/zinc/34/43/68/947344368.db2.gz FCHJUVYPVITJIE-UHFFFAOYSA-N 1 0 394.483 1.567 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC001573593142 947363593 /nfs/dbraw/zinc/36/35/93/947363593.db2.gz QKGWFKASVMPEGU-PBHICJAKSA-N 1 0 388.516 1.800 20 0 GDADRO C[C@@H](C(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573593772 947377167 /nfs/dbraw/zinc/37/71/67/947377167.db2.gz VSNODQDEBTVOOD-CZUORRHYSA-N 1 0 387.488 1.395 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(F)F ZINC001573594876 947410725 /nfs/dbraw/zinc/41/07/25/947410725.db2.gz DDZUCRNNCNSCHP-RISCZKNCSA-N 1 0 382.415 1.067 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(C)C ZINC001573597795 947439940 /nfs/dbraw/zinc/43/99/40/947439940.db2.gz ONOZANIMIBCNGT-VXGBXAGGSA-N 1 0 380.518 1.519 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCCO1 ZINC001573603347 947484079 /nfs/dbraw/zinc/48/40/79/947484079.db2.gz KPQNSWBIFFVZSH-DYVFJYSZSA-N 1 0 390.463 1.711 20 0 GDADRO COCC[NH+]1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826159594 947503154 /nfs/dbraw/zinc/50/31/54/947503154.db2.gz KXVXAUQWLQGNQZ-UHFFFAOYSA-N 1 0 382.472 1.031 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573618828 947654903 /nfs/dbraw/zinc/65/49/03/947654903.db2.gz SPGPITIMPRXASW-GXFFZTMASA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573618940 947656908 /nfs/dbraw/zinc/65/69/08/947656908.db2.gz UCKZRCGLGDLCDB-VXGBXAGGSA-N 1 0 379.415 1.838 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573618938 947657029 /nfs/dbraw/zinc/65/70/29/947657029.db2.gz UCKZRCGLGDLCDB-NWDGAFQWSA-N 1 0 379.415 1.838 20 0 GDADRO CS[C@@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@@H]1N(C)C ZINC000826226748 947667772 /nfs/dbraw/zinc/66/77/72/947667772.db2.gz FRYBZARDZOAUPV-LSDHHAIUSA-N 1 0 375.502 1.173 20 0 GDADRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259017 947745966 /nfs/dbraw/zinc/74/59/66/947745966.db2.gz DXYAJMVDHOUUQU-AWEZNQCLSA-N 1 0 394.483 1.823 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259682 947750542 /nfs/dbraw/zinc/75/05/42/947750542.db2.gz ZTMUEPHXBCJZJP-HZPDHXFCSA-N 1 0 392.467 1.717 20 0 GDADRO CC(=O)CCCC(=O)N(C)CC(C)(C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573367270 947758475 /nfs/dbraw/zinc/75/84/75/947758475.db2.gz BGAKSEUQQNAQTG-UHFFFAOYSA-N 1 0 387.488 1.648 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573369809 947776696 /nfs/dbraw/zinc/77/66/96/947776696.db2.gz XATFBILOPGGIJJ-YVEFUNNKSA-N 1 0 388.447 1.702 20 0 GDADRO C[C@H](C(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573631807 947805575 /nfs/dbraw/zinc/80/55/75/947805575.db2.gz WZFXMAKHGDETCN-HUUCEWRRSA-N 1 0 380.456 1.397 20 0 GDADRO C[C@H](C(=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(C)C ZINC001573637423 947813421 /nfs/dbraw/zinc/81/34/21/947813421.db2.gz CGLPXXNJVQNCMZ-ZIAGYGMSSA-N 1 0 387.488 1.395 20 0 GDADRO CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573375108 947815837 /nfs/dbraw/zinc/81/58/37/947815837.db2.gz QURLBTWVARSHIK-WMLDXEAASA-N 1 0 385.472 1.624 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573376292 947833880 /nfs/dbraw/zinc/83/38/80/947833880.db2.gz XNGBGVFYCKABRA-OAHLLOKOSA-N 1 0 385.472 1.614 20 0 GDADRO CC(=O)CCCC(=O)N1CCCCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573376327 947834924 /nfs/dbraw/zinc/83/49/24/947834924.db2.gz YTLRGNARNPJQNM-HNNXBMFYSA-N 1 0 385.472 1.626 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573376956 947846539 /nfs/dbraw/zinc/84/65/39/947846539.db2.gz GLGRBCRIXBTQBN-HIFRSBDPSA-N 1 0 385.472 1.482 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573640439 947852118 /nfs/dbraw/zinc/85/21/18/947852118.db2.gz HKHUTBFWCSADFX-WBMJQRKESA-N 1 0 388.447 1.369 20 0 GDADRO CC(=O)CCCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCC1 ZINC001573380862 947864912 /nfs/dbraw/zinc/86/49/12/947864912.db2.gz IQZBIUPYVFBYSU-UHFFFAOYSA-N 1 0 388.447 1.894 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573382718 947885204 /nfs/dbraw/zinc/88/52/04/947885204.db2.gz JSYWNHLZYQHOGF-JOCQHMNTSA-N 1 0 376.486 1.672 20 0 GDADRO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573657145 947998372 /nfs/dbraw/zinc/99/83/72/947998372.db2.gz LEUKAXXPZYGUSP-KUHUBIRLSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573657593 948000244 /nfs/dbraw/zinc/00/02/44/948000244.db2.gz NPWIAKPAERPKFR-IFXJQAMLSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573664471 948056557 /nfs/dbraw/zinc/05/65/57/948056557.db2.gz VAAWDXIRASMJCJ-UQPPLGOBSA-N 1 0 379.468 1.914 20 0 GDADRO Cn1cc(C[NH2+]CCNC(=O)OC(C)(C)C)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361982 948132989 /nfs/dbraw/zinc/13/29/89/948132989.db2.gz YLCSBRCUFGBDPP-UHFFFAOYSA-N 1 0 398.471 1.882 20 0 GDADRO Cn1ccnc1[C@H](O)C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826364197 948140566 /nfs/dbraw/zinc/14/05/66/948140566.db2.gz NUZABBHHRDZULJ-GOSISDBHSA-N 1 0 397.483 1.815 20 0 GDADRO C[C@H](C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccc1 ZINC001573677941 948143987 /nfs/dbraw/zinc/14/39/87/948143987.db2.gz BLSCNHYJDZRSHA-KDOFPFPSSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC001573691075 948235181 /nfs/dbraw/zinc/23/51/81/948235181.db2.gz HIIOCDBLDLBGOH-YPMHNXCESA-N 1 0 378.502 1.321 20 0 GDADRO CC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001573439090 948242797 /nfs/dbraw/zinc/24/27/97/948242797.db2.gz IOXDBUOCNMNGND-ZDUSSCGKSA-N 1 0 376.486 1.435 20 0 GDADRO O=C(C[N@@H+]1CC[C@H](COc2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410641 948247511 /nfs/dbraw/zinc/24/75/11/948247511.db2.gz TYHOHLMWRVRNJV-KRWDZBQOSA-N 1 0 392.463 1.884 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1)[C@H]1CCCO1 ZINC001573692428 948262955 /nfs/dbraw/zinc/26/29/55/948262955.db2.gz PQPADTKDAGZORD-BLLLJJGKSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cccs1 ZINC001573694432 948292942 /nfs/dbraw/zinc/29/29/42/948292942.db2.gz VMCPHBSOSISXSG-MNOVXSKESA-N 1 0 392.510 1.360 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC001573695196 948302999 /nfs/dbraw/zinc/30/29/99/948302999.db2.gz XEIMTYIUHCJLBG-WBMJQRKESA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573695517 948305221 /nfs/dbraw/zinc/30/52/21/948305221.db2.gz GNWUWVOCWVKPPF-UQPPLGOBSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573695889 948310845 /nfs/dbraw/zinc/31/08/45/948310845.db2.gz YQVWZBZUYIHYNH-NHYWBVRUSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573703793 948359872 /nfs/dbraw/zinc/35/98/72/948359872.db2.gz MOGHIVGKOVMLHH-PBHICJAKSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573704529 948376801 /nfs/dbraw/zinc/37/68/01/948376801.db2.gz BOXFPSYHYNMPBE-JTQLQIEISA-N 1 0 383.378 1.793 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@@H](n3ccnc3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476417 948382101 /nfs/dbraw/zinc/38/21/01/948382101.db2.gz HJSKMMVJTSJZOS-MSOLQXFVSA-N 1 0 392.467 1.896 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476634 948382982 /nfs/dbraw/zinc/38/29/82/948382982.db2.gz LODHCLNMDLDCKK-WBVHZDCISA-N 1 0 392.467 1.965 20 0 GDADRO O=C1[C@H]([N@@H+]2CC[C@H]([C@H]3CCOC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477156 948387520 /nfs/dbraw/zinc/38/75/20/948387520.db2.gz WPYCOTCXBURLSP-XYJFISCASA-N 1 0 382.468 1.721 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573705208 948393763 /nfs/dbraw/zinc/39/37/63/948393763.db2.gz GNCWKICTVLZPQS-CABCVRRESA-N 1 0 380.456 1.263 20 0 GDADRO C[C@H](C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573706152 948413294 /nfs/dbraw/zinc/41/32/94/948413294.db2.gz YZQOFIRGHLEFJP-OPFPJEHXSA-N 1 0 378.440 1.189 20 0 GDADRO O[C@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)COCC1CC1 ZINC000826502713 948418502 /nfs/dbraw/zinc/41/85/02/948418502.db2.gz JCZPVGGJLBMQHS-LJQANCHMSA-N 1 0 386.500 1.208 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573707779 948439660 /nfs/dbraw/zinc/43/96/60/948439660.db2.gz QJXUVVUTAJNNDX-HOTGVXAUSA-N 1 0 379.468 1.868 20 0 GDADRO O=S(=O)(NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185628666 948491787 /nfs/dbraw/zinc/49/17/87/948491787.db2.gz UAPDCJGNCGXATQ-UHFFFAOYSA-N 1 0 385.453 1.209 20 0 GDADRO C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001573716288 948498361 /nfs/dbraw/zinc/49/83/61/948498361.db2.gz GACBDTPDILKCCJ-KBPBESRZSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573732118 948600392 /nfs/dbraw/zinc/60/03/92/948600392.db2.gz LITCMVAPDLJJDH-QWRGUYRKSA-N 1 0 387.394 1.682 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573732425 948602566 /nfs/dbraw/zinc/60/25/66/948602566.db2.gz OYSODIBVSYOTBI-RYUDHWBXSA-N 1 0 386.435 1.137 20 0 GDADRO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C1CCCC1 ZINC001573740659 948640123 /nfs/dbraw/zinc/64/01/23/948640123.db2.gz MGNPNQNCZRJIRX-MORSLUCNSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)C1CCCC1 ZINC001573741581 948655222 /nfs/dbraw/zinc/65/52/22/948655222.db2.gz ZKVXFSRWOBVAGV-VHSSKADRSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)n1cccc1 ZINC001573753409 948719244 /nfs/dbraw/zinc/71/92/44/948719244.db2.gz TXWOIIPOVRIGFW-QEJZJMRPSA-N 1 0 383.431 1.805 20 0 GDADRO C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574914814 948755503 /nfs/dbraw/zinc/75/55/03/948755503.db2.gz NGOGAACYWPIDIL-CYBMUJFWSA-N 1 0 381.440 1.194 20 0 GDADRO C[C@@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574680387 948804569 /nfs/dbraw/zinc/80/45/69/948804569.db2.gz GSHYYAZRNOVUAQ-AWEZNQCLSA-N 1 0 387.492 1.230 20 0 GDADRO C[C@@H](CNC(=O)CCCn1ccnc1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574918128 948836881 /nfs/dbraw/zinc/83/68/81/948836881.db2.gz GBUWIANBSQXREY-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1ncccc1-c1nn[nH]n1 ZINC001574919374 948874896 /nfs/dbraw/zinc/87/48/96/948874896.db2.gz XTIXHOUWDCICDH-OAHLLOKOSA-N 1 0 386.504 1.692 20 0 GDADRO C[C@H](CNC(=O)CCCn1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574919387 948878923 /nfs/dbraw/zinc/87/89/23/948878923.db2.gz YBTYAKVIOIEDLG-CYBMUJFWSA-N 1 0 386.435 1.277 20 0 GDADRO C[C@H](CNC(=O)CCc1cncs1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574920352 948899461 /nfs/dbraw/zinc/89/94/61/948899461.db2.gz JDSQXKKUZCFPKZ-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)(C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1cccnc1 ZINC001573765189 948901248 /nfs/dbraw/zinc/90/12/48/948901248.db2.gz WDTYJIXTIJQQIJ-HNNXBMFYSA-N 1 0 392.467 1.459 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574685431 948906356 /nfs/dbraw/zinc/90/63/56/948906356.db2.gz VZIXPGDVMHUXJI-MNOVXSKESA-N 1 0 378.868 1.174 20 0 GDADRO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001574089011 948940933 /nfs/dbraw/zinc/94/09/33/948940933.db2.gz FQRVHJNIGJKSNR-IMSKVBIZSA-N 1 0 384.459 1.844 20 0 GDADRO CC(F)(F)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575236930 948941820 /nfs/dbraw/zinc/94/18/20/948941820.db2.gz BQRKTRKQJWCZGA-GFCCVEGCSA-N 1 0 386.378 1.008 20 0 GDADRO CC(C)[C@@H](C(=O)N[C@@H](C)CCNc1ncccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574687730 948951680 /nfs/dbraw/zinc/95/16/80/948951680.db2.gz QYYYBVFSJBHVEC-HOCLYGCPSA-N 1 0 386.504 1.689 20 0 GDADRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573773118 948976185 /nfs/dbraw/zinc/97/61/85/948976185.db2.gz HJPZONNOXHBYSM-AWEZNQCLSA-N 1 0 390.463 1.399 20 0 GDADRO CC(F)(F)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001575242753 948989097 /nfs/dbraw/zinc/98/90/97/948989097.db2.gz KVVLCHDVSHIFJD-FOLVSLTJSA-N 1 0 376.411 1.849 20 0 GDADRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001574091365 949010429 /nfs/dbraw/zinc/01/04/29/949010429.db2.gz KPHKIYIOQFXDBW-SQNIBIBYSA-N 1 0 384.484 1.621 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCCC1 ZINC001573775501 949044713 /nfs/dbraw/zinc/04/47/13/949044713.db2.gz XWJLEFNLGGCMFQ-CQSZACIVSA-N 1 0 387.488 1.179 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574693727 949061505 /nfs/dbraw/zinc/06/15/05/949061505.db2.gz IBWDVLRHUSKENQ-GFCCVEGCSA-N 1 0 390.467 1.534 20 0 GDADRO C[C@H](CNC(=O)CN1CCc2ccccc21)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574929006 949074368 /nfs/dbraw/zinc/07/43/68/949074368.db2.gz VIUVCEUCLWPTDK-CQSZACIVSA-N 1 0 392.467 1.265 20 0 GDADRO C[C@H](CNC(=O)COCC1CCCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574931173 949114093 /nfs/dbraw/zinc/11/40/93/949114093.db2.gz OFQGTRMZEBUZAJ-CYBMUJFWSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575250823 949118465 /nfs/dbraw/zinc/11/84/65/949118465.db2.gz HRMSWARKGYHXSC-UWVGGRQHSA-N 1 0 383.378 1.721 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574446200 949124618 /nfs/dbraw/zinc/12/46/18/949124618.db2.gz JVGKYDBMJPUIMU-NSHDSACASA-N 1 0 390.469 1.525 20 0 GDADRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001574094412 949135963 /nfs/dbraw/zinc/13/59/63/949135963.db2.gz VSWDCMUWTBZREQ-DOTOQJQBSA-N 1 0 390.513 1.750 20 0 GDADRO C[C@@H](NC(=O)[C@@]1(F)CCOC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575251986 949153139 /nfs/dbraw/zinc/15/31/39/949153139.db2.gz DFNDSUQUSXAIDH-ADLMAVQZSA-N 1 0 392.410 1.071 20 0 GDADRO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CC1 ZINC001573786968 949160142 /nfs/dbraw/zinc/16/01/42/949160142.db2.gz GWSULOMBFXKSLO-QLPKVWCKSA-N 1 0 384.459 1.988 20 0 GDADRO CC(C)c1ocnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574447525 949160567 /nfs/dbraw/zinc/16/05/67/949160567.db2.gz RKKTXNFEENVHCK-HNNXBMFYSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)C(F)F ZINC001573787238 949170003 /nfs/dbraw/zinc/17/00/03/949170003.db2.gz QRSCRVDAOIMBRU-WDNDVIMCSA-N 1 0 376.411 1.704 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574934653 949172134 /nfs/dbraw/zinc/17/21/34/949172134.db2.gz NCFLITSJSSEYIP-ZDUSSCGKSA-N 1 0 384.415 1.679 20 0 GDADRO C[C@H](CNC(=O)COc1ccc(F)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574935092 949190175 /nfs/dbraw/zinc/19/01/75/949190175.db2.gz YVWLZTYGPPLIST-CYBMUJFWSA-N 1 0 384.415 1.679 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575516999 949220830 /nfs/dbraw/zinc/22/08/30/949220830.db2.gz SNVMNXUGVMNVLF-STQMWFEESA-N 1 0 381.444 1.140 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574937355 949225676 /nfs/dbraw/zinc/22/56/76/949225676.db2.gz OTJDMSBVJCQVFA-LLVKDONJSA-N 1 0 387.394 1.377 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)CCc2ccccn2)CC1 ZINC001575854101 949227665 /nfs/dbraw/zinc/22/76/65/949227665.db2.gz SQBQSLQAZHXULQ-UHFFFAOYSA-N 1 0 392.467 1.504 20 0 GDADRO C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576151508 949228640 /nfs/dbraw/zinc/22/86/40/949228640.db2.gz GCRIOWRJWBYOCH-APIJFGDWSA-N 1 0 385.472 1.338 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574940377 949262483 /nfs/dbraw/zinc/26/24/83/949262483.db2.gz DHWCVTDHHNUIRJ-ZDUSSCGKSA-N 1 0 377.452 1.332 20 0 GDADRO CC(C)n1cc(C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001574452902 949274324 /nfs/dbraw/zinc/27/43/24/949274324.db2.gz QQQOUPANCGDBQZ-CQSZACIVSA-N 1 0 381.444 1.178 20 0 GDADRO C[C@]1(c2cccc(C[NH2+]Cc3csc(-c4nn[nH]n4)c3)c2)NC(=O)NC1=O ZINC001575857841 949277947 /nfs/dbraw/zinc/27/79/47/949277947.db2.gz WQJFEPKQJGZMIT-QGZVFWFLSA-N 1 0 383.437 1.273 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(F)CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574702360 949280489 /nfs/dbraw/zinc/28/04/89/949280489.db2.gz HNKHALDJZCIDFP-APPDUMDISA-N 1 0 380.399 1.071 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H](C)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)cn1 ZINC001574454981 949293689 /nfs/dbraw/zinc/29/36/89/949293689.db2.gz KJYMWJWOIHPNGC-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]1(C)CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574703353 949324579 /nfs/dbraw/zinc/32/45/79/949324579.db2.gz UTUBPJNSKQDAGU-KPZWWZAWSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@]1(F)CCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574703396 949328438 /nfs/dbraw/zinc/32/84/38/949328438.db2.gz VRBGZTFUDGUODT-PIGZYNQJSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](CNC(=O)Cc1cccc(F)c1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574942185 949338720 /nfs/dbraw/zinc/33/87/20/949338720.db2.gz XKLFNVHXENBFFZ-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@H](c1ncccn1)[N@H+]1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](C)C1 ZINC001575525207 949339259 /nfs/dbraw/zinc/33/92/59/949339259.db2.gz WPHCECQEJIXCAT-YRGRVCCFSA-N 1 0 381.444 1.044 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574459790 949362531 /nfs/dbraw/zinc/36/25/31/949362531.db2.gz KREZWJJYCDFCPX-CQSZACIVSA-N 1 0 383.460 1.367 20 0 GDADRO C[C@@H](NC(=O)CC(C)(C)O)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263419 949395928 /nfs/dbraw/zinc/39/59/28/949395928.db2.gz GXQHNLJFPUMWMM-LLVKDONJSA-N 1 0 376.436 1.103 20 0 GDADRO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001574704632 949399093 /nfs/dbraw/zinc/39/90/93/949399093.db2.gz DRWUEXXERCEQCT-KGLIPLIRSA-N 1 0 387.492 1.178 20 0 GDADRO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574704875 949408445 /nfs/dbraw/zinc/40/84/45/949408445.db2.gz FKHBWPQYUWMCOR-DZGCQCFKSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575533671 949419090 /nfs/dbraw/zinc/41/90/90/949419090.db2.gz IFIGDADAJGBDJO-IFXJQAMLSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574946633 949432213 /nfs/dbraw/zinc/43/22/13/949432213.db2.gz WVEQHFISVFTDOJ-LLVKDONJSA-N 1 0 387.394 1.377 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574705636 949433862 /nfs/dbraw/zinc/43/38/62/949433862.db2.gz JLEZUSPVHHUHHO-RKDXNWHRSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC001575867730 949441525 /nfs/dbraw/zinc/44/15/25/949441525.db2.gz JXBVFZYEFGJWNO-QWRGUYRKSA-N 1 0 376.486 1.448 20 0 GDADRO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574706848 949462511 /nfs/dbraw/zinc/46/25/11/949462511.db2.gz MYNRYWLTFVFOGO-HIFRSBDPSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@@]1(C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575536138 949463216 /nfs/dbraw/zinc/46/32/16/949463216.db2.gz FWDLTOBBZNGLRU-HXUWFJFHSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574706847 949463556 /nfs/dbraw/zinc/46/35/56/949463556.db2.gz MYNRYWLTFVFOGO-DZGCQCFKSA-N 1 0 387.492 1.178 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574470411 949499343 /nfs/dbraw/zinc/49/93/43/949499343.db2.gz PNKVZFNRSBHISW-HNNXBMFYSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@]1(C(=O)N2CCC([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CCOC1 ZINC001575537768 949501393 /nfs/dbraw/zinc/50/13/93/949501393.db2.gz XQGHHOHURXDLJT-IBGZPJMESA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCc2cccnc21)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574710726 949512133 /nfs/dbraw/zinc/51/21/33/949512133.db2.gz AKXOFFOGCZTJCK-KDOFPFPSSA-N 1 0 391.479 1.928 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575538867 949532111 /nfs/dbraw/zinc/53/21/11/949532111.db2.gz KBBRWRBOHFRGRA-IFXJQAMLSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575872119 949533039 /nfs/dbraw/zinc/53/30/39/949533039.db2.gz GPNUBYSUHIMSTK-CZUORRHYSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576163597 949539891 /nfs/dbraw/zinc/53/98/91/949539891.db2.gz CGMHNLWYUISMQM-DYVFJYSZSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576164513 949553321 /nfs/dbraw/zinc/55/33/21/949553321.db2.gz GVLXPKWWPXNMGE-PBHICJAKSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575540215 949560808 /nfs/dbraw/zinc/56/08/08/949560808.db2.gz VVTPXABVXUWLLU-KXBFYZLASA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](NC(=O)C[C@H]1CCCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575269728 949562169 /nfs/dbraw/zinc/56/21/69/949562169.db2.gz WONXZFGMPHHJBW-GXTWGEPZSA-N 1 0 390.513 1.824 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1=COCCO1 ZINC001573811093 949589320 /nfs/dbraw/zinc/58/93/20/949589320.db2.gz HPNCXVCKJXBJRS-MRXNPFEDSA-N 1 0 386.456 1.375 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cn[nH]c1 ZINC001573811302 949595480 /nfs/dbraw/zinc/59/54/80/949595480.db2.gz JQKAIDBWTNUTQD-HNNXBMFYSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cnoc1 ZINC001573811350 949598667 /nfs/dbraw/zinc/59/86/67/949598667.db2.gz KPMROKQWTOQWJB-INIZCTEOSA-N 1 0 383.456 1.718 20 0 GDADRO CC(C)(C)[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573811347 949600733 /nfs/dbraw/zinc/60/07/33/949600733.db2.gz KOTBDVSAZMQDQP-CQSZACIVSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@H](CN(C)C(=O)CC1OCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574715078 949641016 /nfs/dbraw/zinc/64/10/16/949641016.db2.gz AOAFDOTVSBCYJO-GFCCVEGCSA-N 1 0 392.435 1.095 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1 ZINC001574477740 949675591 /nfs/dbraw/zinc/67/55/91/949675591.db2.gz UNANWGFQCURNCG-MLGOLLRUSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574716109 949678639 /nfs/dbraw/zinc/67/86/39/949678639.db2.gz MKBHAPLASXXWMJ-HXPMCKFVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H](NC(=O)CCc1cnccn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575276100 949705893 /nfs/dbraw/zinc/70/58/93/949705893.db2.gz GLQYRVRYCIQNJK-AWEZNQCLSA-N 1 0 392.467 1.226 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1(C(F)F)CC1 ZINC001573817973 949709198 /nfs/dbraw/zinc/70/91/98/949709198.db2.gz CSCVZXWYAKWVBU-GFCCVEGCSA-N 1 0 379.415 1.672 20 0 GDADRO C[C@@H](CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001574479345 949732048 /nfs/dbraw/zinc/73/20/48/949732048.db2.gz DUYXSPZTJMOXQD-JTQLQIEISA-N 1 0 383.378 1.675 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)c1ccncc1 ZINC001574717725 949741986 /nfs/dbraw/zinc/74/19/86/949741986.db2.gz WULKISDYRWEJGR-KGLIPLIRSA-N 1 0 380.456 1.531 20 0 GDADRO C[C@]1(C(=O)N[C@@H]2CC23CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC3)CCOC1 ZINC001575559350 949754271 /nfs/dbraw/zinc/75/42/71/949754271.db2.gz BHFURIHZSKRENJ-QAPCUYQASA-N 1 0 383.456 1.163 20 0 GDADRO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1nccnc1-c1nn[nH]n1 ZINC001576171456 949765700 /nfs/dbraw/zinc/76/57/00/949765700.db2.gz QPJJQHOKBDHQIY-UONOGXRCSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1ccnc1 ZINC001574481404 949778008 /nfs/dbraw/zinc/77/80/08/949778008.db2.gz PJUGADHSXCBAID-PBHICJAKSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574481636 949794700 /nfs/dbraw/zinc/79/47/00/949794700.db2.gz SLIYMGRDLWSEHM-QWRGUYRKSA-N 1 0 383.378 1.533 20 0 GDADRO C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C[NH2+]Cc1ccns1 ZINC001576172352 949800413 /nfs/dbraw/zinc/80/04/13/949800413.db2.gz WKRFUSBJUDIZFQ-XHDPSFHLSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@@H](CN(C)C(=O)CCCn1ccnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574720838 949804280 /nfs/dbraw/zinc/80/42/80/949804280.db2.gz IBLOABDIFTWKIR-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@@H](NC(=O)COC1CCCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575281282 949805945 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C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1ccco1 ZINC001575901887 950248723 /nfs/dbraw/zinc/24/87/23/950248723.db2.gz RIHUEIWDDLUIPW-SJCJKPOMSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)COCC1CC1 ZINC001575902282 950256936 /nfs/dbraw/zinc/25/69/36/950256936.db2.gz UHKJZTZKYINRFP-SJCJKPOMSA-N 1 0 388.447 1.511 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)COC1CCCC1 ZINC001574157841 950259030 /nfs/dbraw/zinc/25/90/30/950259030.db2.gz JPOYMKIELIAZOD-AWEZNQCLSA-N 1 0 387.488 1.586 20 0 GDADRO C[C@H]1CCN(C(=O)c2cccnn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576193211 950287833 /nfs/dbraw/zinc/28/78/33/950287833.db2.gz SMPWJZCBSBMJHF-YOEHRIQHSA-N 1 0 392.467 1.545 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]nc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574742508 950292785 /nfs/dbraw/zinc/29/27/85/950292785.db2.gz MMZBSXZNECDKPK-JTQLQIEISA-N 1 0 386.485 1.779 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ncccc1F ZINC001575905458 950295106 /nfs/dbraw/zinc/29/51/06/950295106.db2.gz CPWNNNKIWHSSFC-LRDDRELGSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H](CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574499442 950303056 /nfs/dbraw/zinc/30/30/56/950303056.db2.gz VNXKKNCKSXIFEK-WLYUNCDWSA-N 1 0 380.456 1.443 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]nc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574742764 950306419 /nfs/dbraw/zinc/30/64/19/950306419.db2.gz PWISKDSBJKFOCO-LBPRGKRZSA-N 1 0 380.456 1.718 20 0 GDADRO CC(C)C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574159716 950316247 /nfs/dbraw/zinc/31/62/47/950316247.db2.gz YHDKURXZDNRAID-BBRMVZONSA-N 1 0 389.508 1.186 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)COC(C)(C)C ZINC001575907216 950328554 /nfs/dbraw/zinc/32/85/54/950328554.db2.gz MWOIHARJAMTABD-AAEUAGOBSA-N 1 0 378.502 1.822 20 0 GDADRO C[C@H](CC(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574501427 950331811 /nfs/dbraw/zinc/33/18/11/950331811.db2.gz DAPFCNLJZGPQOQ-MPNWYJEXSA-N 1 0 380.456 1.477 20 0 GDADRO C[C@@]1(C(=O)NCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CCCOC1 ZINC001575594424 950334030 /nfs/dbraw/zinc/33/40/30/950334030.db2.gz SVBPXTLDVQPMNX-HXUWFJFHSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)CC(C)(C)O ZINC001575907549 950336244 /nfs/dbraw/zinc/33/62/44/950336244.db2.gz PABJZQRYERNQHE-IAQYHMDHSA-N 1 0 376.436 1.246 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CC1CCOCC1 ZINC001575907634 950344437 /nfs/dbraw/zinc/34/44/37/950344437.db2.gz PYWOLALUTUSICE-SWLSCSKDSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1ccc[nH]1 ZINC001575907778 950344901 /nfs/dbraw/zinc/34/49/01/950344901.db2.gz QJTJZHCUXTZPNJ-SJKOYZFVSA-N 1 0 383.431 1.656 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574744269 950350563 /nfs/dbraw/zinc/35/05/63/950350563.db2.gz YFCIQLIHMXXACD-ZTQAJYAQSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3ncccc3-c3nn[nH]n3)C2)C1 ZINC001576196448 950360006 /nfs/dbraw/zinc/36/00/06/950360006.db2.gz DUHPZXQGQFFESA-GJZGRUSLSA-N 1 0 384.488 1.254 20 0 GDADRO CC(C)C[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574162524 950383112 /nfs/dbraw/zinc/38/31/12/950383112.db2.gz CFUNVLXPNPSWOB-ZDUSSCGKSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cc(Cl)no1 ZINC001575909493 950394960 /nfs/dbraw/zinc/39/49/60/950394960.db2.gz GPTYXDAZPPKDRM-ZWNOBZJWSA-N 1 0 387.831 1.901 20 0 GDADRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cncc(-c4nn[nH]n4)c3)C[C@]2(C)C1 ZINC001573857082 950399093 /nfs/dbraw/zinc/39/90/93/950399093.db2.gz NIVOMGCFWRDWJN-HNAYVOBHSA-N 1 0 385.472 1.951 20 0 GDADRO CC(C)C[C@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574162918 950409665 /nfs/dbraw/zinc/40/96/65/950409665.db2.gz MXYQDZFRZKERAO-ZIAGYGMSSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575597858 950420101 /nfs/dbraw/zinc/42/01/01/950420101.db2.gz XXNCFISQNIHDFV-BWACUDIHSA-N 1 0 376.486 1.339 20 0 GDADRO C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)n1ccnc1 ZINC001574506792 950440036 /nfs/dbraw/zinc/44/00/36/950440036.db2.gz FWHMKHLLWATDMI-QWHCGFSZSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574507385 950455715 /nfs/dbraw/zinc/45/57/15/950455715.db2.gz IFTCLGTWZDEDCU-AYMQEEERSA-N 1 0 385.472 1.196 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001574994591 950489125 /nfs/dbraw/zinc/48/91/25/950489125.db2.gz VEBCFSAJWAOPRZ-KGLIPLIRSA-N 1 0 379.468 1.708 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001574994590 950489655 /nfs/dbraw/zinc/48/96/55/950489655.db2.gz VEBCFSAJWAOPRZ-KBPBESRZSA-N 1 0 379.468 1.708 20 0 GDADRO C[C@@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575914436 950490614 /nfs/dbraw/zinc/49/06/14/950490614.db2.gz KXUZRBWQXXPFPQ-CJNGLKHVSA-N 1 0 384.488 1.395 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573866497 950504896 /nfs/dbraw/zinc/50/48/96/950504896.db2.gz DXFPEOXUWHUDMK-HNNXBMFYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574996060 950520138 /nfs/dbraw/zinc/52/01/38/950520138.db2.gz KIVQZMHCIAZQAI-JTQLQIEISA-N 1 0 390.398 1.778 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573867175 950522851 /nfs/dbraw/zinc/52/28/51/950522851.db2.gz RWAIOLLSKZXRJR-LBPRGKRZSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1c[nH]cn1 ZINC001575915854 950525623 /nfs/dbraw/zinc/52/56/23/950525623.db2.gz XQGATNBKLSXDPV-CXAGYDPISA-N 1 0 380.456 1.302 20 0 GDADRO CC(C)c1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)on1 ZINC001574997131 950538334 /nfs/dbraw/zinc/53/83/34/950538334.db2.gz RVSUKVZVGCREHF-JTQLQIEISA-N 1 0 375.458 1.948 20 0 GDADRO CC(C)c1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)on1 ZINC001574997135 950539324 /nfs/dbraw/zinc/53/93/24/950539324.db2.gz RVSUKVZVGCREHF-SNVBAGLBSA-N 1 0 375.458 1.948 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001576206015 950556275 /nfs/dbraw/zinc/55/62/75/950556275.db2.gz SQFJEKROPKRZJS-DTWKUNHWSA-N 1 0 384.897 1.235 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1 ZINC001573869316 950561325 /nfs/dbraw/zinc/56/13/25/950561325.db2.gz OOULICUFVFKBPO-MRXNPFEDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCCC2(CNc3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001576206302 950566698 /nfs/dbraw/zinc/56/66/98/950566698.db2.gz WDMGPXDHVOEEPM-AWEZNQCLSA-N 1 0 384.488 1.302 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574999480 950585471 /nfs/dbraw/zinc/58/54/71/950585471.db2.gz KOMDHOURYORBMT-SSDOTTSWSA-N 1 0 382.400 1.497 20 0 GDADRO C[C@H]1[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)CCC[NH+](C)C ZINC001575919095 950604385 /nfs/dbraw/zinc/60/43/85/950604385.db2.gz GFYUHBSXCBZYFF-JSGCOSHPSA-N 1 0 375.452 1.749 20 0 GDADRO C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575000474 950604913 /nfs/dbraw/zinc/60/49/13/950604913.db2.gz DTIDHUVESCSUDN-CYBMUJFWSA-N 1 0 379.468 1.934 20 0 GDADRO CC(C)CCC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574173855 950606961 /nfs/dbraw/zinc/60/69/61/950606961.db2.gz OJOADCMOUHTLQF-GOSISDBHSA-N 1 0 392.529 1.808 20 0 GDADRO C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575919602 950613548 /nfs/dbraw/zinc/61/35/48/950613548.db2.gz IEMAIFMRVFPPDI-OCCSQVGLSA-N 1 0 387.463 1.749 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)c[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575000669 950614502 /nfs/dbraw/zinc/61/45/02/950614502.db2.gz RLPMBFVFMMVSGZ-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C)n1cccn1 ZINC001574513760 950619268 /nfs/dbraw/zinc/61/92/68/950619268.db2.gz YMOHORPHUFNPJB-DAYGRLMNSA-N 1 0 394.483 1.794 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573871808 950627408 /nfs/dbraw/zinc/62/74/08/950627408.db2.gz XBFMGMAUSBHHRJ-AWEZNQCLSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)ccc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575001578 950636544 /nfs/dbraw/zinc/63/65/44/950636544.db2.gz VZODCLGYQRGGLB-SECBINFHSA-N 1 0 375.795 1.707 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576213702 950639419 /nfs/dbraw/zinc/63/94/19/950639419.db2.gz GVXIYFYJLJOVIH-YRGRVCCFSA-N 1 0 388.451 1.049 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575001598 950640879 /nfs/dbraw/zinc/64/08/79/950640879.db2.gz WIQVQSCLDVQLFR-SNVBAGLBSA-N 1 0 384.419 1.514 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001573873574 950649652 /nfs/dbraw/zinc/64/96/52/950649652.db2.gz RNTDXZZLFYQUIQ-JYAVWHMHSA-N 1 0 376.486 1.290 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575923495 950660635 /nfs/dbraw/zinc/66/06/35/950660635.db2.gz BQJHYELMFZOKJM-MEBBXXQBSA-N 1 0 385.378 1.677 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccsn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574760823 950680158 /nfs/dbraw/zinc/68/01/58/950680158.db2.gz MDFRXXOWWVWPGW-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1ccncc1 ZINC001574519684 950688852 /nfs/dbraw/zinc/68/88/52/950688852.db2.gz XNWAKKMMDAMLJW-NALNUFGESA-N 1 0 390.451 1.401 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cn2c(n1)CCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574761027 950691853 /nfs/dbraw/zinc/69/18/53/950691853.db2.gz QJQIFXKRGUBDFB-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnc(C2CC2)o1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574763415 950715425 /nfs/dbraw/zinc/71/54/25/950715425.db2.gz ANAYMBBSZNRHBT-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574764668 950756117 /nfs/dbraw/zinc/75/61/17/950756117.db2.gz VWMRBKKEOAUWCC-LLVKDONJSA-N 1 0 392.464 1.345 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1cscn1 ZINC001575927855 950758836 /nfs/dbraw/zinc/75/88/36/950758836.db2.gz VHMBBJMHEXUHSS-RISCZKNCSA-N 1 0 384.469 1.174 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1cscn1 ZINC001575927854 950760992 /nfs/dbraw/zinc/76/09/92/950760992.db2.gz VHMBBJMHEXUHSS-FZMZJTMJSA-N 1 0 384.469 1.174 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnn2ncccc12)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574764844 950765156 /nfs/dbraw/zinc/76/51/56/950765156.db2.gz ZQAHFOZGOKQFHE-CYBMUJFWSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccon1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574521077 950765951 /nfs/dbraw/zinc/76/59/51/950765951.db2.gz CWSRLKCQNGNLNI-MNOVXSKESA-N 1 0 375.458 1.532 20 0 GDADRO CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C)c1 ZINC001575927973 950766981 /nfs/dbraw/zinc/76/69/81/950766981.db2.gz WVLLFKZKWSBYFM-GXTWGEPZSA-N 1 0 381.444 1.176 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1cnoc1 ZINC001574521289 950777108 /nfs/dbraw/zinc/77/71/08/950777108.db2.gz DXOSSKYZQWYOJI-NWDGAFQWSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@@H](C[N@H+](C)C[C@@H](O)c1ccc(F)cc1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765280 950783989 /nfs/dbraw/zinc/78/39/89/950783989.db2.gz BCHVGQNHKPSTDL-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO CC1(C)CC(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001575632321 950794391 /nfs/dbraw/zinc/79/43/91/950794391.db2.gz HNCURTKSYVKTJC-IAGOWNOFSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1ccn(C)n1 ZINC001574522898 950801603 /nfs/dbraw/zinc/80/16/03/950801603.db2.gz LRFAVATWUXXDNF-VXGBXAGGSA-N 1 0 388.501 1.277 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1ncc[nH]1 ZINC001574523866 950835019 /nfs/dbraw/zinc/83/50/19/950835019.db2.gz RMOLWQDCHNPASM-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO CC(C)OCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574523928 950840348 /nfs/dbraw/zinc/84/03/48/950840348.db2.gz SHYDHVLRZVOHNY-CHWSQXEVSA-N 1 0 378.452 1.804 20 0 GDADRO C[C@@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575933404 950841566 /nfs/dbraw/zinc/84/15/66/950841566.db2.gz ORHNTJBRQPIGJW-IAQYHMDHSA-N 1 0 388.451 1.144 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1cc[nH]n1 ZINC001574524107 950846476 /nfs/dbraw/zinc/84/64/76/950846476.db2.gz TVQIXLNOWSZDPO-VXGBXAGGSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001575011268 950846918 /nfs/dbraw/zinc/84/69/18/950846918.db2.gz ODGPBWNIOXIECS-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cc[nH]n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574524104 950847337 /nfs/dbraw/zinc/84/73/37/950847337.db2.gz TVQIXLNOWSZDPO-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO CC(C)OCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574524127 950848155 /nfs/dbraw/zinc/84/81/55/950848155.db2.gz UAHCHYFTQISCFV-STQMWFEESA-N 1 0 378.452 1.804 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCc1cn[nH]c1 ZINC001574524288 950852531 /nfs/dbraw/zinc/85/25/31/950852531.db2.gz VFHQCAOOUPYLNI-UONOGXRCSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1cn[nH]c1 ZINC001574524365 950859146 /nfs/dbraw/zinc/85/91/46/950859146.db2.gz VWXSZOFQGSMMNL-NWDGAFQWSA-N 1 0 388.501 1.657 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cncn1C ZINC001574524510 950862346 /nfs/dbraw/zinc/86/23/46/950862346.db2.gz XOXOEPPATVUMKW-UONOGXRCSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCCO1 ZINC001574771340 950915555 /nfs/dbraw/zinc/91/55/55/950915555.db2.gz BPWOKUFDKVLJFJ-WBMJQRKESA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574529651 950954369 /nfs/dbraw/zinc/95/43/69/950954369.db2.gz RJTJOKMUPUYLBL-QWHCGFSZSA-N 1 0 381.440 1.654 20 0 GDADRO CC(C)CCC[NH+]1CCC(CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001574194820 950956149 /nfs/dbraw/zinc/95/61/49/950956149.db2.gz BJEKBWHIBZTSNZ-UHFFFAOYSA-N 1 0 375.477 1.188 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccc(=O)[nH]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574529650 950956765 /nfs/dbraw/zinc/95/67/65/950956765.db2.gz RJTJOKMUPUYLBL-OLZOCXBDSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1nn(C)cc1Cl)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574529848 950959507 /nfs/dbraw/zinc/95/95/07/950959507.db2.gz AQODNUJPBCGPKR-NXEZZACHSA-N 1 0 391.867 1.268 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC001575016977 950967613 /nfs/dbraw/zinc/96/76/13/950967613.db2.gz DYUAEKRIWMHRES-CYBMUJFWSA-N 1 0 391.439 1.289 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CO1 ZINC001575938093 950970989 /nfs/dbraw/zinc/97/09/89/950970989.db2.gz JFQINOBQDFYPBT-PBHICJAKSA-N 1 0 386.500 1.866 20 0 GDADRO CC(C)CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001574195269 950976704 /nfs/dbraw/zinc/97/67/04/950976704.db2.gz LUWIFYYGAKGVKW-IBGZPJMESA-N 1 0 387.488 1.548 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@]1(F)CCOC1 ZINC001574772663 950977349 /nfs/dbraw/zinc/97/73/49/950977349.db2.gz TZTQFOVCDQIWOX-DIFFPNOSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC1OCCCO1 ZINC001574773268 950981262 /nfs/dbraw/zinc/98/12/62/950981262.db2.gz WJSOQYOBVKXZEG-GFCCVEGCSA-N 1 0 392.435 1.095 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575644326 950982729 /nfs/dbraw/zinc/98/27/29/950982729.db2.gz SONKYDGZASKESN-JXFKEZNVSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C[N@H+](C)CCc1ccc(F)c(F)c1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574773307 950985374 /nfs/dbraw/zinc/98/53/74/950985374.db2.gz XANRYUJFSFURQF-LLVKDONJSA-N 1 0 389.410 1.766 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)CCO1 ZINC001575938966 950996114 /nfs/dbraw/zinc/99/61/14/950996114.db2.gz NVZGDZGSIVJLBB-UKRRQHHQSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1ncccc1-c1nn[nH]n1 ZINC001575023774 951082094 /nfs/dbraw/zinc/08/20/94/951082094.db2.gz PJXYCANPEDJINA-ZDUSSCGKSA-N 1 0 380.456 1.554 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(-c2nn[nH]n2)c1Br)[NH+]1CCCC1 ZINC001575026672 951145529 /nfs/dbraw/zinc/14/55/29/951145529.db2.gz MAAZLQCGKPXJCQ-JTQLQIEISA-N 1 0 379.262 1.843 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575035263 951269706 /nfs/dbraw/zinc/26/97/06/951269706.db2.gz VBDHHVLOFTVHCU-LBPRGKRZSA-N 1 0 388.501 1.956 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001575035548 951277643 /nfs/dbraw/zinc/27/76/43/951277643.db2.gz KLJRJBRVTHQEIC-GFCCVEGCSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575041807 951351810 /nfs/dbraw/zinc/35/18/10/951351810.db2.gz CMAUBHAXGOMICK-JTQLQIEISA-N 1 0 390.398 1.446 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575045377 951424602 /nfs/dbraw/zinc/42/46/02/951424602.db2.gz BBQSAXVZLYJGNY-NSHDSACASA-N 1 0 386.485 1.369 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575053653 951482026 /nfs/dbraw/zinc/48/20/26/951482026.db2.gz SXNUUMSGILAFNS-GFCCVEGCSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@@H](CNC(=O)c1coc(CC2CC2)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056292 951518919 /nfs/dbraw/zinc/51/89/19/951518919.db2.gz GSZYALYZPFWDQD-LLVKDONJSA-N 1 0 382.428 1.102 20 0 GDADRO C[C@@H](CNC(=O)c1ncoc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575064909 951578256 /nfs/dbraw/zinc/57/82/56/951578256.db2.gz FHBXDJSBIAUZSX-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575067532 951613761 /nfs/dbraw/zinc/61/37/61/951613761.db2.gz UXNANPYHNWVAGX-SSDOTTSWSA-N 1 0 383.384 1.762 20 0 GDADRO C[C@H](CNC(=O)c1noc2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575067799 951623948 /nfs/dbraw/zinc/62/39/48/951623948.db2.gz ZHOFIKSHBVNORC-SNVBAGLBSA-N 1 0 387.469 1.703 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001575077236 951664078 /nfs/dbraw/zinc/66/40/78/951664078.db2.gz AZMSPJZGJTXGOZ-LLVKDONJSA-N 1 0 386.460 1.636 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077489 951669960 /nfs/dbraw/zinc/66/99/60/951669960.db2.gz FISUWSYEHNRDFL-ZIAGYGMSSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575077792 951674795 /nfs/dbraw/zinc/67/47/95/951674795.db2.gz HOCJTXYFVQSWKB-CWTRNNRKSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H](CNC(=O)c1ccccc1O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077847 951676292 /nfs/dbraw/zinc/67/62/92/951676292.db2.gz IUEUWAVHOXIRNL-LBPRGKRZSA-N 1 0 384.415 1.867 20 0 GDADRO CC(C)SCC(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077956 951676511 /nfs/dbraw/zinc/67/65/11/951676511.db2.gz INQHEKSPYICZKR-GFCCVEGCSA-N 1 0 380.493 1.989 20 0 GDADRO C[C@H](CNC(=O)c1cncs1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079339 951690349 /nfs/dbraw/zinc/69/03/49/951690349.db2.gz CZFBMFGBFXIAKK-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@@H](O)C1CCCCC1 ZINC001575079817 951697444 /nfs/dbraw/zinc/69/74/44/951697444.db2.gz OYBSELSVTHVGOA-MLGOLLRUSA-N 1 0 375.477 1.092 20 0 GDADRO C[C@H](CNC(=O)c1ccc(=O)[nH]c1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080091 951702053 /nfs/dbraw/zinc/70/20/53/951702053.db2.gz UPHQUDWPDAMTSG-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@H](CNC(=O)Cc1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080053 951703348 /nfs/dbraw/zinc/70/33/48/951703348.db2.gz JWESABVSIXIPQE-ZDUSSCGKSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@H](CNC(=O)Cc1cscn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080195 951706490 /nfs/dbraw/zinc/70/64/90/951706490.db2.gz PMDUJAYRGZIPMZ-NSHDSACASA-N 1 0 389.460 1.547 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080555 951712328 /nfs/dbraw/zinc/71/23/28/951712328.db2.gz YDWRMJFLQDAJOW-IUODEOHRSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC1CCC(F)(F)CC1 ZINC001575080709 951714309 /nfs/dbraw/zinc/71/43/09/951714309.db2.gz QWSCLFIJHZHXDJ-LLVKDONJSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@H](CNC(=O)CCc1cn[nH]c1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080915 951717470 /nfs/dbraw/zinc/71/74/70/951717470.db2.gz SIJDVMGKIVSPCW-LBPRGKRZSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081583 951723806 /nfs/dbraw/zinc/72/38/06/951723806.db2.gz QMXGLPRNGXLVMU-UKRRQHHQSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081995 951730078 /nfs/dbraw/zinc/73/00/78/951730078.db2.gz UEQUWVRIMUGUFU-VIFPVBQESA-N 1 0 391.432 1.324 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575082564 951733597 /nfs/dbraw/zinc/73/35/97/951733597.db2.gz XFANUGHPJCWKHF-OLZOCXBDSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001575089415 951749179 /nfs/dbraw/zinc/74/91/79/951749179.db2.gz FLNALHJRJTYTNW-UGSOOPFHSA-N 1 0 390.513 1.872 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001575089526 951751622 /nfs/dbraw/zinc/75/16/22/951751622.db2.gz GJYTXHPBUFUOSS-KSSFIOAISA-N 1 0 390.513 1.872 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575089508 951751895 /nfs/dbraw/zinc/75/18/95/951751895.db2.gz GITNKWMXWAJVBJ-OLZOCXBDSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ccncc1F ZINC001575090210 951758265 /nfs/dbraw/zinc/75/82/65/951758265.db2.gz KAZVEROQXSDTDH-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090695 951763135 /nfs/dbraw/zinc/76/31/35/951763135.db2.gz NJLNWMVZOUGBDD-VIFPVBQESA-N 1 0 391.432 1.324 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575090944 951764974 /nfs/dbraw/zinc/76/49/74/951764974.db2.gz OLVDUTXCOGPPHR-LIRRHRJNSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575091350 951773428 /nfs/dbraw/zinc/77/34/28/951773428.db2.gz RUSWAIHOLMSLNL-XIKOKIGWSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@@H](CNC(=O)C1(CCF)CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091747 951782659 /nfs/dbraw/zinc/78/26/59/951782659.db2.gz XLTMRLKFHCYCRA-GFCCVEGCSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001575092258 951793100 /nfs/dbraw/zinc/79/31/00/951793100.db2.gz ZTEXEMZEUJUPQP-PBHICJAKSA-N 1 0 376.411 1.896 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575093006 951796450 /nfs/dbraw/zinc/79/64/50/951796450.db2.gz GSMCXZNODPUKDQ-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093437 951800574 /nfs/dbraw/zinc/80/05/74/951800574.db2.gz JMDOKJAIIQVSHI-CYBMUJFWSA-N 1 0 380.456 1.165 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001575095777 951815902 /nfs/dbraw/zinc/81/59/02/951815902.db2.gz WMQKCSSXIUAREY-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 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Cc1cc(N2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571159630 952721290 /nfs/dbraw/zinc/72/12/90/952721290.db2.gz VEQSAWTZCALOEP-UHFFFAOYSA-N 1 0 379.428 1.133 20 0 GDADRO O=C(c1cc(C2CC2)no1)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571160243 952724422 /nfs/dbraw/zinc/72/44/22/952724422.db2.gz FQZJYLLMNNOOQX-GFCCVEGCSA-N 1 0 380.412 1.266 20 0 GDADRO CN(C(=O)[C@]1(F)CCOC1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571166343 952760424 /nfs/dbraw/zinc/76/04/24/952760424.db2.gz LSHOHQOISLDEQF-PRDDCLIZSA-N 1 0 380.449 1.136 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001571166899 952767034 /nfs/dbraw/zinc/76/70/34/952767034.db2.gz RJBFDAMWBBDKMM-CXAGYDPISA-N 1 0 380.456 1.094 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cn1ccnc1 ZINC001571167104 952769737 /nfs/dbraw/zinc/76/97/37/952769737.db2.gz VSCNRQYISKLZMP-ZBFHGGJFSA-N 1 0 380.456 1.233 20 0 GDADRO Cc1ccnn1CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169378 952772558 /nfs/dbraw/zinc/77/25/58/952772558.db2.gz AVJWAQCIPBEROL-KRWDZBQOSA-N 1 0 380.456 1.152 20 0 GDADRO CN(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571169388 952772643 /nfs/dbraw/zinc/77/26/43/952772643.db2.gz BFKAOEBQILBTCQ-HNNXBMFYSA-N 1 0 380.456 1.265 20 0 GDADRO Cc1[nH]nc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)c1C ZINC001571169457 952773763 /nfs/dbraw/zinc/77/37/63/952773763.db2.gz CYLJKWOMDKMKFE-HNNXBMFYSA-N 1 0 380.456 1.601 20 0 GDADRO Cc1cc(N2CCN(C(=O)c3cc[nH]c3C(C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169609 952776050 /nfs/dbraw/zinc/77/60/50/952776050.db2.gz HUKRQTKVTSIYBR-UHFFFAOYSA-N 1 0 380.456 1.984 20 0 GDADRO CCn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001571169716 952777089 /nfs/dbraw/zinc/77/70/89/952777089.db2.gz LAZLUXHAAJHHMN-CZUORRHYSA-N 1 0 380.456 1.333 20 0 GDADRO Cc1nc[nH]c1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169760 952778023 /nfs/dbraw/zinc/77/80/23/952778023.db2.gz MFWMKPHNUMEKAZ-AWEZNQCLSA-N 1 0 380.456 1.540 20 0 GDADRO Cc1cc(NC[C@@H]2CCCN(C(=O)c3ccn(C)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571170496 952787327 /nfs/dbraw/zinc/78/73/27/952787327.db2.gz VKKOYUROKOGTLF-AWEZNQCLSA-N 1 0 380.456 1.295 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571170855 952789866 /nfs/dbraw/zinc/78/98/66/952789866.db2.gz XUOBEIWMDKPHAR-CABCVRRESA-N 1 0 380.456 1.729 20 0 GDADRO C[C@H](NC(=O)c1ccncc1F)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571178305 952838504 /nfs/dbraw/zinc/83/85/04/952838504.db2.gz FQPANKAIYDDUAW-LBPRGKRZSA-N 1 0 381.415 1.651 20 0 GDADRO Cc1cc(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)ncc1-c1nn[nH]n1 ZINC001571178465 952842256 /nfs/dbraw/zinc/84/22/56/952842256.db2.gz JNSOXVHXUZYVAB-OAHLLOKOSA-N 1 0 381.415 1.366 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@H]2C)o1 ZINC001571179241 952850182 /nfs/dbraw/zinc/85/01/82/952850182.db2.gz AKGLIEYSIWWJHF-WBMJQRKESA-N 1 0 381.440 1.864 20 0 GDADRO O=C(Cc1cnoc1)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571179316 952851637 /nfs/dbraw/zinc/85/16/37/952851637.db2.gz BLIQKRAGXLDLNW-INIZCTEOSA-N 1 0 381.440 1.568 20 0 GDADRO O=C(c1cc[nH]c1)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571179287 952852225 /nfs/dbraw/zinc/85/22/25/952852225.db2.gz BCENAFOHOAPZGB-KRWDZBQOSA-N 1 0 381.440 1.216 20 0 GDADRO Cc1cccc([C@@H](C)[N@H+]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)c1 ZINC001571179547 952853719 /nfs/dbraw/zinc/85/37/19/952853719.db2.gz FPDPKTWLMOYYBJ-JLZZUVOBSA-N 1 0 381.440 1.039 20 0 GDADRO Cc1cc(N[C@H](C)[C@@H]2CCN(C(=O)Cc3ccco3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571179414 952853779 /nfs/dbraw/zinc/85/37/79/952853779.db2.gz DIFKRXJDNXHDKL-ZIAGYGMSSA-N 1 0 381.440 1.477 20 0 GDADRO Cc1ncc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC001571179636 952854317 /nfs/dbraw/zinc/85/43/17/952854317.db2.gz HUWNYKDYEBDZJF-SJKOYZFVSA-N 1 0 381.440 1.342 20 0 GDADRO Cc1conc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571181012 952862999 /nfs/dbraw/zinc/86/29/99/952862999.db2.gz SYKBRTCGDOANCS-MLGOLLRUSA-N 1 0 381.440 1.804 20 0 GDADRO Cc1ccoc1CC(=O)N1CCC[C@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571181375 952863428 /nfs/dbraw/zinc/86/34/28/952863428.db2.gz VMZPXIYDFOEDOO-AWEZNQCLSA-N 1 0 381.440 1.833 20 0 GDADRO COc1cccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571183008 952872244 /nfs/dbraw/zinc/87/22/44/952872244.db2.gz LXRQHJJEPVOUHC-WFASDCNBSA-N 1 0 381.440 1.769 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571183525 952880018 /nfs/dbraw/zinc/88/00/18/952880018.db2.gz CSYYBVDCQNIGPV-GXTWGEPZSA-N 1 0 381.444 1.282 20 0 GDADRO Cc1nn(C)cc1C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571187755 952910648 /nfs/dbraw/zinc/91/06/48/952910648.db2.gz BNJUZYZMBVBSSJ-ZDUSSCGKSA-N 1 0 381.444 1.011 20 0 GDADRO Cc1cnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nc1 ZINC001571189527 952930694 /nfs/dbraw/zinc/93/06/94/952930694.db2.gz WUILQGDCGIKLBM-ZIAGYGMSSA-N 1 0 381.444 1.124 20 0 GDADRO Cc1csc(C(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)c1 ZINC001571189680 952934078 /nfs/dbraw/zinc/93/40/78/952934078.db2.gz RLAXKWBJFGUYKD-DEZZGGKRSA-N 1 0 381.465 1.744 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(F)cn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571195589 952977999 /nfs/dbraw/zinc/97/79/99/952977999.db2.gz CEHVVLGVHZDGOR-CYBMUJFWSA-N 1 0 382.403 1.503 20 0 GDADRO CN(C(=O)c1ccnnc1)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571197342 952988441 /nfs/dbraw/zinc/98/84/41/952988441.db2.gz XJKVXKLGQAPZAH-UHFFFAOYSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1CN(C(=O)c2ccncc2F)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571197321 952988728 /nfs/dbraw/zinc/98/87/28/952988728.db2.gz WNOCDPLEFNSPBW-NWDGAFQWSA-N 1 0 382.403 1.038 20 0 GDADRO O=C(c1cncnc1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571199974 953007070 /nfs/dbraw/zinc/00/70/70/953007070.db2.gz FWRSSOPDWGUKBO-CQSZACIVSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1conc1C(=O)N[C@@H]1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571201084 953013684 /nfs/dbraw/zinc/01/36/84/953013684.db2.gz JJYGBZQCKGCSKD-TZMCWYRMSA-N 1 0 382.428 1.299 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2cc(C3CC3)no2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571206920 953056890 /nfs/dbraw/zinc/05/68/90/953056890.db2.gz TUQBJMUIPMOOQL-UHFFFAOYSA-N 1 0 382.428 1.358 20 0 GDADRO Cc1noc(C)c1C[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 ZINC001571206974 953058134 /nfs/dbraw/zinc/05/81/34/953058134.db2.gz VIRYNJLXXOWRLD-BETUJISGSA-N 1 0 382.428 1.004 20 0 GDADRO O=C(CC1(O)CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571209735 953067124 /nfs/dbraw/zinc/06/71/24/953067124.db2.gz CGEJQPBDWKMKJN-IYBDPMFKSA-N 1 0 382.468 1.347 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C2=CCOCC2)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571209802 953067742 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/nfs/dbraw/zinc/08/79/28/953087928.db2.gz LQEOYPLQKPNQBX-AWEZNQCLSA-N 1 0 382.472 1.211 20 0 GDADRO COc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571219944 953128445 /nfs/dbraw/zinc/12/84/45/953128445.db2.gz UNPFFFPXHARWQS-AWEZNQCLSA-N 1 0 383.412 1.258 20 0 GDADRO Cc1c(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)ccn1C ZINC001571229347 953169423 /nfs/dbraw/zinc/16/94/23/953169423.db2.gz COMGUGBJKQRRKA-CQSZACIVSA-N 1 0 383.431 1.657 20 0 GDADRO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571229511 953170811 /nfs/dbraw/zinc/17/08/11/953170811.db2.gz HERTXIWMPQAYAP-PIGZYNQJSA-N 1 0 383.431 1.893 20 0 GDADRO Cc1ccc(F)c(C[NH2+][C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)c1 ZINC001571230053 953173731 /nfs/dbraw/zinc/17/37/31/953173731.db2.gz RNIXORYYAHTMRQ-SJCJKPOMSA-N 1 0 383.431 1.893 20 0 GDADRO Cc1cc(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)ns1 ZINC001571234218 953199731 /nfs/dbraw/zinc/19/97/31/953199731.db2.gz QBADLHHPNJTUET-UHFFFAOYSA-N 1 0 383.481 1.930 20 0 GDADRO CCc1ncsc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571234167 953199836 /nfs/dbraw/zinc/19/98/36/953199836.db2.gz OPVMJDVNKCBTBP-BETUJISGSA-N 1 0 383.481 1.936 20 0 GDADRO CN(C(=O)Cc1ccsc1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571234391 953201732 /nfs/dbraw/zinc/20/17/32/953201732.db2.gz VZIMHNPRSOKDQT-UHFFFAOYSA-N 1 0 383.481 1.993 20 0 GDADRO O=C(CCc1nccs1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571234427 953202374 /nfs/dbraw/zinc/20/23/74/953202374.db2.gz XEAZLABPWIOTHZ-AWEZNQCLSA-N 1 0 383.481 1.647 20 0 GDADRO Cc1nc[nH]c1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001571238902 953233979 /nfs/dbraw/zinc/23/39/79/953233979.db2.gz BYOAVXCGTYKBSF-HZMBPMFUSA-N 1 0 384.419 1.430 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)[nH]n1 ZINC001571239116 953236728 /nfs/dbraw/zinc/23/67/28/953236728.db2.gz GEIAWQDDBJXDOX-GFCCVEGCSA-N 1 0 384.419 1.289 20 0 GDADRO Cc1n[nH]cc1C(=O)N(C)C1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571239405 953239062 /nfs/dbraw/zinc/23/90/62/953239062.db2.gz KNQWDZCGVJTEJK-UHFFFAOYSA-N 1 0 384.419 1.430 20 0 GDADRO Cc1ccc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)o1 ZINC001571239556 953240072 /nfs/dbraw/zinc/24/00/72/953240072.db2.gz MJMBVELUPWSPIV-SHTZXODSSA-N 1 0 384.415 1.887 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1cc[nH]n1 ZINC001571239559 953240646 /nfs/dbraw/zinc/24/06/46/953240646.db2.gz MLZISIQMZGQXAE-BZNIZROVSA-N 1 0 384.419 1.051 20 0 GDADRO C[N@@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001571239707 953241916 /nfs/dbraw/zinc/24/19/16/953241916.db2.gz QPIMEGYYVCMGFT-ZDUSSCGKSA-N 1 0 384.419 1.323 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cn[nH]c1 ZINC001571241741 953249605 /nfs/dbraw/zinc/24/96/05/953249605.db2.gz KJABKEDCFONQTM-HUUCEWRRSA-N 1 0 384.419 1.560 20 0 GDADRO CCc1onc(C)c1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C ZINC001571242410 953256520 /nfs/dbraw/zinc/25/65/20/953256520.db2.gz FSVIHPSRTAGKGF-BXUZGUMPSA-N 1 0 384.444 1.446 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)Cc3cscn3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571244658 953265695 /nfs/dbraw/zinc/26/56/95/953265695.db2.gz DCZGIAYUBAIXHN-RISCZKNCSA-N 1 0 384.469 1.093 20 0 GDADRO CN(CC1CCN(C(=O)c2cncs2)CC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571244696 953266078 /nfs/dbraw/zinc/26/60/78/953266078.db2.gz FGVGTTLNXYZWCJ-UHFFFAOYSA-N 1 0 384.469 1.707 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245161 953270910 /nfs/dbraw/zinc/27/09/10/953270910.db2.gz DUHZAVGRNGFKQO-RISCZKNCSA-N 1 0 384.469 1.493 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cncs2)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571245694 953275915 /nfs/dbraw/zinc/27/59/15/953275915.db2.gz YIGPMUGXNDDHBU-NEPJUHHUSA-N 1 0 384.469 1.493 20 0 GDADRO CC[C@@H]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571247546 953283318 /nfs/dbraw/zinc/28/33/18/953283318.db2.gz ADEKDZVVEMINHJ-ZJPYXAASSA-N 1 0 384.484 1.809 20 0 GDADRO CC[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3OC)C[C@H]21 ZINC001571247678 953285512 /nfs/dbraw/zinc/28/55/12/953285512.db2.gz CFEJSJMRPWTHMJ-JLJPHGGASA-N 1 0 384.484 1.954 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001571247775 953285949 /nfs/dbraw/zinc/28/59/49/953285949.db2.gz DPXLUHXWVGJWMS-YLJYHZDGSA-N 1 0 384.484 1.764 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C ZINC001571248261 953291470 /nfs/dbraw/zinc/29/14/70/953291470.db2.gz OUCCNIPXFWDALB-WCZJQEMASA-N 1 0 384.484 1.761 20 0 GDADRO C[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571248286 953291655 /nfs/dbraw/zinc/29/16/55/953291655.db2.gz PMIHRCBLVJERQQ-YOEHRIQHSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CN(C(=O)CC2(C)CC2)CCO1 ZINC001571248468 953293153 /nfs/dbraw/zinc/29/31/53/953293153.db2.gz UZYKNGDVISIKET-WMLDXEAASA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571249660 953305341 /nfs/dbraw/zinc/30/53/41/953305341.db2.gz KEGLFCRAZXBJBU-YOEHRIQHSA-N 1 0 384.488 1.077 20 0 GDADRO O=C(CC[C@@H]1CCOC1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571250649 953311930 /nfs/dbraw/zinc/31/19/30/953311930.db2.gz ROOUVHMRJBFMAB-WBVHZDCISA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571251084 953314212 /nfs/dbraw/zinc/31/42/12/953314212.db2.gz VWGFSZNODXVUTC-PBHICJAKSA-N 1 0 384.484 1.762 20 0 GDADRO O=C([C@@H]1CCCOCC1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571251576 953318819 /nfs/dbraw/zinc/31/88/19/953318819.db2.gz ZQWWLWXWRAFSBP-NVXWUHKLSA-N 1 0 384.484 1.764 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CN(c2ccc(-c3nn[nH]n3)cn2)CC1(C)C ZINC001571251880 953320918 /nfs/dbraw/zinc/32/09/18/953320918.db2.gz CCTLMOXRJBADRA-GJZGRUSLSA-N 1 0 384.488 1.077 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001571252342 953327710 /nfs/dbraw/zinc/32/77/10/953327710.db2.gz LMGSXQKGZYADAV-DZKIICNBSA-N 1 0 384.488 1.585 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](CNc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001571252623 953330506 /nfs/dbraw/zinc/33/05/06/953330506.db2.gz RWXMUHMYVJTCMI-HIFRSBDPSA-N 1 0 384.488 1.300 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)no1 ZINC001571254662 953341212 /nfs/dbraw/zinc/34/12/12/953341212.db2.gz HSFAYRSCXZXWOA-ZDUSSCGKSA-N 1 0 385.403 1.697 20 0 GDADRO O=C(c1ccc(F)c(F)c1)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571255125 953346059 /nfs/dbraw/zinc/34/60/59/953346059.db2.gz IUWANEIVWQGSIV-GFCCVEGCSA-N 1 0 385.378 1.679 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001571255170 953346249 /nfs/dbraw/zinc/34/62/49/953346249.db2.gz LXNADQMSAMFFIL-YPMHNXCESA-N 1 0 385.403 1.634 20 0 GDADRO CCc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)no1 ZINC001571255180 953346333 /nfs/dbraw/zinc/34/63/33/953346333.db2.gz MCMAVZSFAKSDNB-BETUJISGSA-N 1 0 385.403 1.607 20 0 GDADRO O=C(Cc1cnoc1)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571255202 953346905 /nfs/dbraw/zinc/34/69/05/953346905.db2.gz MOQSCMNIJPEFMV-OAHLLOKOSA-N 1 0 385.403 1.317 20 0 GDADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000874416887 969394858 /nfs/dbraw/zinc/39/48/58/969394858.db2.gz ANTARPAYFRSYPM-IRXDYDNUSA-N 1 0 388.512 1.840 20 0 GDADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1 ZINC000874417158 969395055 /nfs/dbraw/zinc/39/50/55/969395055.db2.gz GBMURRBHKHFRNB-IRXDYDNUSA-N 1 0 380.533 1.831 20 0 GDADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)c1 ZINC001596193425 983575741 /nfs/dbraw/zinc/57/57/41/983575741.db2.gz YOSCSCRGEPTLCC-UHFFFAOYSA-N 1 0 376.501 1.829 20 0 GDADRO CC[NH+]1CCC(NC(=O)C[NH2+][C@](C)(CC(=O)[O-])c2cccc(OC)c2)CC1 ZINC001596409913 983996678 /nfs/dbraw/zinc/99/66/78/983996678.db2.gz ROUTXPIZNBSCAS-HXUWFJFHSA-N 1 0 377.485 1.575 20 0 GDADRO Cc1c(Br)cncc1C[N@H+](CCN1CC[NH+](C)CC1)CC(=O)[O-] ZINC001599973544 986050255 /nfs/dbraw/zinc/05/02/55/986050255.db2.gz LEIXTJQQGHJCNP-UHFFFAOYSA-N 1 0 385.306 1.287 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)CC1 ZINC001591617204 992876881 /nfs/dbraw/zinc/87/68/81/992876881.db2.gz YYTJSYYFHSVDIP-FQEVSTJZSA-N 1 0 381.517 1.057 20 0 GDADRO C[C@H](NC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001593064173 993596581 /nfs/dbraw/zinc/59/65/81/993596581.db2.gz VGCNABQMTUTLAV-ULQDDVLXSA-N 1 0 380.533 1.830 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC2CC[NH+](CCCC(=O)[O-])CC2)CC1 ZINC001598626419 994102283 /nfs/dbraw/zinc/10/22/83/994102283.db2.gz WNARKSKLGUTUPJ-UHFFFAOYSA-N 1 0 375.517 1.252 20 0 GDADRO C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001594148246 998503938 /nfs/dbraw/zinc/50/39/38/998503938.db2.gz ASRRHNHJPFBFET-DOTOQJQBSA-N 1 0 375.473 1.098 20 0 GDADRO C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001594165856 998620814 /nfs/dbraw/zinc/62/08/14/998620814.db2.gz IHXAJDNCBFHUSZ-WMLDXEAASA-N 1 0 377.510 1.969 20 0 GDADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC[NH2+]1 ZINC001594256997 998989090 /nfs/dbraw/zinc/98/90/90/998989090.db2.gz BPDMPLLHANKQEZ-GOEBONIOSA-N 1 0 375.473 1.155 20 0 GDADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cccc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001593498024 1126217723 /nfs/dbraw/zinc/21/77/23/1126217723.db2.gz ISALBWCXRWVRCZ-GJZGRUSLSA-N 1 0 378.358 1.886 20 0 GDADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)cc1C ZINC001592147878 1126217005 /nfs/dbraw/zinc/21/70/05/1126217005.db2.gz JMTRYJBLMDELLJ-INIZCTEOSA-N 1 0 378.440 1.219 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000159100311 530539741 /nfs/dbraw/zinc/53/97/41/530539741.db2.gz UVHXOCLHVJHRKM-GFCCVEGCSA-N 1 0 390.575 1.673 20 0 GDADRO [NH3+]C[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C1CC1 ZINC000159099618 530539774 /nfs/dbraw/zinc/53/97/74/530539774.db2.gz RRRNMJDGEQKKIX-CYBMUJFWSA-N 1 0 380.242 1.289 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)NCCN(C)S(=O)(=O)c2cccs2)C[N@@H+]1C1CC1 ZINC000159178307 530540238 /nfs/dbraw/zinc/54/02/38/530540238.db2.gz KRMHNTDVLFGPMN-CHWSQXEVSA-N 1 0 386.543 1.293 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)N[C@H](C[NH3+])C3CC3)CC2=O)ccc1Br ZINC000159184019 530541148 /nfs/dbraw/zinc/54/11/48/530541148.db2.gz SWSBLVPJIUILII-IUODEOHRSA-N 1 0 380.286 1.964 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000161982199 530565283 /nfs/dbraw/zinc/56/52/83/530565283.db2.gz LYZUDNSZWCJICT-UHFFFAOYSA-N 1 0 384.274 1.698 20 0 GDADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000162050202 530566053 /nfs/dbraw/zinc/56/60/53/530566053.db2.gz FWCUOZFKOBCFCN-UHFFFAOYSA-N 1 0 376.201 1.830 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000162447199 530567767 /nfs/dbraw/zinc/56/77/67/530567767.db2.gz UPXWZISRXAPXFL-GFCCVEGCSA-N 1 0 383.290 1.973 20 0 GDADRO Cc1csc(N2CCC([NH2+]CCNS(=O)(=O)Cc3ccon3)CC2)n1 ZINC000162345511 530567952 /nfs/dbraw/zinc/56/79/52/530567952.db2.gz KAGGXXLZIHYGBU-UHFFFAOYSA-N 1 0 385.515 1.118 20 0 GDADRO C[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 ZINC000162770383 530570787 /nfs/dbraw/zinc/57/07/87/530570787.db2.gz BZRMPEZGGMLVDC-QLFBSQMISA-N 1 0 386.539 1.278 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(Br)nc2)CC1 ZINC000166696608 530583716 /nfs/dbraw/zinc/58/37/16/530583716.db2.gz LDDWPOTZWDNTBS-CYBMUJFWSA-N 1 0 396.289 1.614 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(F)c(F)cc2I)CCO1 ZINC000163043396 530573081 /nfs/dbraw/zinc/57/30/81/530573081.db2.gz XFJCVJPBQSTVHO-JVXZTZIISA-N 1 0 396.175 1.758 20 0 GDADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000163233363 530574769 /nfs/dbraw/zinc/57/47/69/530574769.db2.gz SWNMAMMMWNPGOR-CYBMUJFWSA-N 1 0 393.962 1.998 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CCO1 ZINC000163309166 530575142 /nfs/dbraw/zinc/57/51/42/530575142.db2.gz ZLXONPIQHJPBMN-ABAIWWIYSA-N 1 0 379.258 1.823 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000163768851 530577711 /nfs/dbraw/zinc/57/77/11/530577711.db2.gz XJBQJBLAZBNJQR-JTQLQIEISA-N 1 0 377.869 1.540 20 0 GDADRO CNC(=O)CC[N@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000170781741 530588935 /nfs/dbraw/zinc/58/89/35/530588935.db2.gz ISLUONKEJMPYDH-UHFFFAOYSA-N 1 0 388.299 1.105 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccc(Br)cn3)ccn2)CC1 ZINC000171380657 530598221 /nfs/dbraw/zinc/59/82/21/530598221.db2.gz QKWHQVRPLWOREQ-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 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C[N@@H+]1CC[C@@H](CNC(=O)CCNS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179491363 530742739 /nfs/dbraw/zinc/74/27/39/530742739.db2.gz DBQGNXLEUAJHIP-LRDDRELGSA-N 1 0 391.896 1.527 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000056981758 530721755 /nfs/dbraw/zinc/72/17/55/530721755.db2.gz CDBUXLKNHZPKBB-LBPRGKRZSA-N 1 0 398.301 1.934 20 0 GDADRO CCN(CCCNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)S(C)(=O)=O ZINC000056947604 530721766 /nfs/dbraw/zinc/72/17/66/530721766.db2.gz RPVYETUYWWUSSW-XHSDSOJGSA-N 1 0 376.567 1.324 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000178670931 530725288 /nfs/dbraw/zinc/72/52/88/530725288.db2.gz CIXUGPNZPWFPAJ-JTQLQIEISA-N 1 0 380.539 1.950 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)NC[C@H]3CCC[NH2+]3)CC2=O)ccc1Br ZINC000178757227 530727522 /nfs/dbraw/zinc/72/75/22/530727522.db2.gz VZRFUEDFPORSFJ-CHWSQXEVSA-N 1 0 380.286 1.979 20 0 GDADRO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)Nc1ccc(Br)cn1 ZINC000178825527 530728696 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CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)C(=O)N1CCOCC1 ZINC000180057973 530756332 /nfs/dbraw/zinc/75/63/32/530756332.db2.gz NHNJINGCQSZICJ-MRXNPFEDSA-N 1 0 398.301 1.861 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000180197350 530759897 /nfs/dbraw/zinc/75/98/97/530759897.db2.gz RBSFVFMFZIQIFB-ZWNOBZJWSA-N 1 0 379.404 1.538 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000179743065 530749037 /nfs/dbraw/zinc/74/90/37/530749037.db2.gz OOQYJKDKKXFJQU-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000180955938 530774756 /nfs/dbraw/zinc/77/47/56/530774756.db2.gz YHAILOGNNDYACZ-MRXNPFEDSA-N 1 0 386.539 1.315 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000068080109 530783516 /nfs/dbraw/zinc/78/35/16/530783516.db2.gz UNBCRGKZVDBPSG-SNVBAGLBSA-N 1 0 392.319 1.557 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000069634362 530798439 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VMMJBXFMNWZSDO-UHFFFAOYSA-N 1 0 382.302 1.902 20 0 GDADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000236681994 531039088 /nfs/dbraw/zinc/03/90/88/531039088.db2.gz CTOWNQNNBYJIQF-CQSZACIVSA-N 1 0 375.441 1.171 20 0 GDADRO CC(C)(C(=O)NCCCC[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000236705087 531039296 /nfs/dbraw/zinc/03/92/96/531039296.db2.gz HTCQVLPVZVPCGN-UHFFFAOYSA-N 1 0 377.304 1.857 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000236722821 531039815 /nfs/dbraw/zinc/03/98/15/531039815.db2.gz SLMGFWIGVBMWPW-YPMHNXCESA-N 1 0 397.273 1.010 20 0 GDADRO O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N1CCC[NH2+]CC1 ZINC000236761318 531039920 /nfs/dbraw/zinc/03/99/20/531039920.db2.gz QQXSNGQEWQVEFR-UHFFFAOYSA-N 1 0 380.242 1.257 20 0 GDADRO CCC(CC)(C[NH3+])NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000236761498 531039996 /nfs/dbraw/zinc/03/99/96/531039996.db2.gz ZRNJSQPJHIWVGZ-UHFFFAOYSA-N 1 0 381.274 1.793 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])s1 ZINC000236796744 531040441 /nfs/dbraw/zinc/04/04/41/531040441.db2.gz SIBWSYFATGSGGQ-CYBMUJFWSA-N 1 0 387.571 1.955 20 0 GDADRO CCC[NH2+]CCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C ZINC000236816562 531040532 /nfs/dbraw/zinc/04/05/32/531040532.db2.gz XECVQTHAIQNIEB-UHFFFAOYSA-N 1 0 378.292 1.134 20 0 GDADRO CCN(CC)[C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1ccccc1Cl ZINC000236833439 531040592 /nfs/dbraw/zinc/04/05/92/531040592.db2.gz CIASPGBMHFTHHF-CVEARBPZSA-N 1 0 389.949 1.601 20 0 GDADRO CCC[NH2+]CCNC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000236909579 531040964 /nfs/dbraw/zinc/04/09/64/531040964.db2.gz XLKNDSMINREAKQ-UHFFFAOYSA-N 1 0 384.274 1.680 20 0 GDADRO CCC[NH2+]CCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000236910891 531041123 /nfs/dbraw/zinc/04/11/23/531041123.db2.gz SUHQNQFXETXWKJ-UHFFFAOYSA-N 1 0 382.313 1.778 20 0 GDADRO COc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000237079049 531042575 /nfs/dbraw/zinc/04/25/75/531042575.db2.gz HFWYBYLIWAQHMV-LLVKDONJSA-N 1 0 384.274 1.385 20 0 GDADRO COc1cc(I)c(C(=O)N[C@@H]2CCC[NH2+]C2)cc1OC ZINC000237120567 531042667 /nfs/dbraw/zinc/04/26/67/531042667.db2.gz WPWHBZKSPKQYQP-SECBINFHSA-N 1 0 390.221 1.790 20 0 GDADRO COc1cc(I)c(C(=O)N2CCC[C@@H]2C[NH3+])cc1OC ZINC000237119192 531042882 /nfs/dbraw/zinc/04/28/82/531042882.db2.gz UXGYIDYESFFNSB-SECBINFHSA-N 1 0 390.221 1.872 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)C1 ZINC000237240590 531044102 /nfs/dbraw/zinc/04/41/02/531044102.db2.gz PTMWGMUXKFVVEC-LSDHHAIUSA-N 1 0 385.555 1.668 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000237287392 531044478 /nfs/dbraw/zinc/04/44/78/531044478.db2.gz WZEIUOBHRUBKGY-SNVBAGLBSA-N 1 0 382.258 1.407 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000237291887 531044484 /nfs/dbraw/zinc/04/44/84/531044484.db2.gz SYISIWAYXBLWBM-LLVKDONJSA-N 1 0 377.304 1.336 20 0 GDADRO C[NH2+]C[C@H](C)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000237311176 531044818 /nfs/dbraw/zinc/04/48/18/531044818.db2.gz 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531423170 /nfs/dbraw/zinc/42/31/70/531423170.db2.gz ZOJSOYGZBSDKAF-RYUDHWBXSA-N 1 0 393.506 1.335 20 0 GDADRO O=C(CNC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO)Nc1ccccc1Br ZINC000279185278 531418515 /nfs/dbraw/zinc/41/85/15/531418515.db2.gz DIXFUTPGWXOHGJ-TZMCWYRMSA-N 1 0 398.301 1.645 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267311506 531419045 /nfs/dbraw/zinc/41/90/45/531419045.db2.gz NQULQFINBLWFOQ-CQSZACIVSA-N 1 0 377.557 1.166 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC[NH2+]1 ZINC000447254302 531423766 /nfs/dbraw/zinc/42/37/66/531423766.db2.gz ASOKPQDLOZTPJZ-MFKMUULPSA-N 1 0 380.919 1.303 20 0 GDADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC[NH2+]1 ZINC000447254300 531423958 /nfs/dbraw/zinc/42/39/58/531423958.db2.gz ASOKPQDLOZTPJZ-GWCFXTLKSA-N 1 0 380.919 1.303 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)CCOc2cccc(Br)c2)CC[N@H+](C)C1 ZINC000413926712 531424373 /nfs/dbraw/zinc/42/43/73/531424373.db2.gz WSTMYOYDUBQGAK-CYBMUJFWSA-N 1 0 399.285 1.781 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000484910491 531426991 /nfs/dbraw/zinc/42/69/91/531426991.db2.gz VELDDGCBHSGJLG-VXGBXAGGSA-N 1 0 383.290 1.173 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1F ZINC000447253011 531423321 /nfs/dbraw/zinc/42/33/21/531423321.db2.gz VMTGAFOQDGRGHF-RYUDHWBXSA-N 1 0 393.506 1.335 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000447248611 531423351 /nfs/dbraw/zinc/42/33/51/531423351.db2.gz UNSXEYZGWHFSQW-CQSZACIVSA-N 1 0 394.946 1.680 20 0 GDADRO Cn1ncc(C(=O)NCC2(C[NH+](C)C)CCCC2)c1I ZINC000293465103 531423468 /nfs/dbraw/zinc/42/34/68/531423468.db2.gz KEXVNGFRTVLMHS-UHFFFAOYSA-N 1 0 390.269 1.877 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000293472208 531423523 /nfs/dbraw/zinc/42/35/23/531423523.db2.gz RXLVZJPYEZFBHD-UHFFFAOYSA-N 1 0 385.306 1.900 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC000293595970 531431135 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GDADRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414057440 531430459 /nfs/dbraw/zinc/43/04/59/531430459.db2.gz FUNPQNQYPKGUBD-HOCLYGCPSA-N 1 0 386.334 1.946 20 0 GDADRO CCS(=O)(=O)C1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000447807204 531435431 /nfs/dbraw/zinc/43/54/31/531435431.db2.gz QIFJROGXXDZSRK-HNNXBMFYSA-N 1 0 375.535 1.096 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000279481923 531436261 /nfs/dbraw/zinc/43/62/61/531436261.db2.gz UAWGPKHCFHZREK-UHFFFAOYSA-N 1 0 390.253 1.577 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)C1 ZINC000414172238 531432906 /nfs/dbraw/zinc/43/29/06/531432906.db2.gz DNNBIOBYXHMGMM-IUODEOHRSA-N 1 0 394.306 1.906 20 0 GDADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000293701326 531438292 /nfs/dbraw/zinc/43/82/92/531438292.db2.gz OXPZKEZAUCVTME-QMTHXVAHSA-N 1 0 381.274 1.853 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(=O)NC(C)(C)C ZINC000414305459 531439021 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20 0 GDADRO C[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C[C@H](C)[N@H+]1C ZINC000293971203 531454521 /nfs/dbraw/zinc/45/45/21/531454521.db2.gz MBGCNSZXAQFJEM-OKILXGFUSA-N 1 0 385.555 1.626 20 0 GDADRO Cc1c(F)cccc1S(=O)(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000414462322 531455111 /nfs/dbraw/zinc/45/51/11/531455111.db2.gz UGJRUKBJKRZVBA-CQSZACIVSA-N 1 0 392.518 1.264 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000415304965 531473338 /nfs/dbraw/zinc/47/33/38/531473338.db2.gz UTZUHBYSOAMFDQ-LLVKDONJSA-N 1 0 382.251 1.938 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000449693872 531473422 /nfs/dbraw/zinc/47/34/22/531473422.db2.gz FSPLAPZYIVOTEE-AWEZNQCLSA-N 1 0 385.555 1.579 20 0 GDADRO O=C(Nc1cccc2c(Br)ccnc12)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415313357 531473449 /nfs/dbraw/zinc/47/34/49/531473449.db2.gz HRWQKXXVEQGFTL-SNVBAGLBSA-N 1 0 377.242 1.804 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2OC(C)C)C1 ZINC000415304030 531473606 /nfs/dbraw/zinc/47/36/06/531473606.db2.gz TYJKEAWKYATZJN-LBPRGKRZSA-N 1 0 384.274 1.995 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415310183 531473670 /nfs/dbraw/zinc/47/36/70/531473670.db2.gz VNKMLJMYKCYTMA-UHFFFAOYSA-N 1 0 395.628 1.609 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000415306594 531473790 /nfs/dbraw/zinc/47/37/90/531473790.db2.gz LWMVZWWUJDQHRO-UHFFFAOYSA-N 1 0 386.246 1.208 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000449724993 531475460 /nfs/dbraw/zinc/47/54/60/531475460.db2.gz ZFIHUCSDZSLHMU-OCCSQVGLSA-N 1 0 389.315 1.608 20 0 GDADRO O=C(Nc1ccc(Cl)cc1I)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415327146 531475512 /nfs/dbraw/zinc/47/55/12/531475512.db2.gz KUROGUTVLKPTHQ-QMMMGPOBSA-N 1 0 393.612 1.361 20 0 GDADRO CC[C@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)C(=O)NC ZINC000449781860 531475913 /nfs/dbraw/zinc/47/59/13/531475913.db2.gz XFVNIGBZGJUARZ-NSHDSACASA-N 1 0 392.237 1.923 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccc(I)c1 ZINC000415336627 531476456 /nfs/dbraw/zinc/47/64/56/531476456.db2.gz SPFDIHUNJVCFOA-JTQLQIEISA-N 1 0 387.221 1.346 20 0 GDADRO O=C(Nc1ccc(I)cc1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415334551 531476922 /nfs/dbraw/zinc/47/69/22/531476922.db2.gz SSCWWGGBGCHRTQ-QMMMGPOBSA-N 1 0 393.612 1.361 20 0 GDADRO COc1cc(Br)ccc1C[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000414562156 531459631 /nfs/dbraw/zinc/45/96/31/531459631.db2.gz AJGCRSUWFSFZLW-UHFFFAOYSA-N 1 0 382.262 1.718 20 0 GDADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)ccc1S(=O)(=O)C(F)F ZINC000294057075 531460408 /nfs/dbraw/zinc/46/04/08/531460408.db2.gz GWMWBCQFBVJLNU-RTXFEEFZSA-N 1 0 379.425 1.882 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000267973965 531463953 /nfs/dbraw/zinc/46/39/53/531463953.db2.gz MZKYKSIWDMGSKR-GFCCVEGCSA-N 1 0 377.532 1.085 20 0 GDADRO CSCC[C@@H](CO)NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414969915 531464313 /nfs/dbraw/zinc/46/43/13/531464313.db2.gz FPUUIUQTEBDFNN-NSHDSACASA-N 1 0 379.404 1.333 20 0 GDADRO O=C(Nc1cc(F)c(I)c(F)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415127172 531465429 /nfs/dbraw/zinc/46/54/29/531465429.db2.gz VIUHHUNIDVCAEF-IIDWOEFGSA-N 1 0 379.148 1.909 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000486991875 531466474 /nfs/dbraw/zinc/46/64/74/531466474.db2.gz ALXIMMRFULWOCW-UHFFFAOYSA-N 1 0 375.535 1.314 20 0 GDADRO COCCS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000415169287 531466707 /nfs/dbraw/zinc/46/67/07/531466707.db2.gz KIQCEPWLNXOPMH-ZDUSSCGKSA-N 1 0 377.413 1.225 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)c2c(c1)OCCO2 ZINC000362993239 531467016 /nfs/dbraw/zinc/46/70/16/531467016.db2.gz DJUQQPSNXNAGMF-QWHCGFSZSA-N 1 0 397.269 1.813 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@@H](O)COC ZINC000449201387 531467118 /nfs/dbraw/zinc/46/71/18/531467118.db2.gz DNALBXVNVUSPLR-BXUZGUMPSA-N 1 0 389.290 1.449 20 0 GDADRO C[C@](O)(C[NH2+]Cc1ccc(I)cc1)CN1CCOCC1 ZINC000449154814 531467834 /nfs/dbraw/zinc/46/78/34/531467834.db2.gz OMBAHDWPYZVBLU-HNNXBMFYSA-N 1 0 390.265 1.464 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)NC1CC[NH2+]CC1 ZINC000415194205 531468461 /nfs/dbraw/zinc/46/84/61/531468461.db2.gz YLICQROZPHSMGL-UHFFFAOYSA-N 1 0 380.392 1.401 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449254670 531468982 /nfs/dbraw/zinc/46/89/82/531468982.db2.gz ZMYQKMDOJBCOFY-UHFFFAOYSA-N 1 0 385.515 1.537 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000415261225 531469711 /nfs/dbraw/zinc/46/97/11/531469711.db2.gz DFDFTHBEQAMCSS-UHFFFAOYSA-N 1 0 387.221 1.488 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000268047130 531469760 /nfs/dbraw/zinc/46/97/60/531469760.db2.gz ZXPDLUMAIBZDKE-ZDUSSCGKSA-N 1 0 375.466 1.284 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000415271234 531470706 /nfs/dbraw/zinc/47/07/06/531470706.db2.gz RPDZGXLOVAUOKL-UHFFFAOYSA-N 1 0 387.221 1.488 20 0 GDADRO CCN1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1=O ZINC000449516139 531472096 /nfs/dbraw/zinc/47/20/96/531472096.db2.gz DVJQIVMGPKRXKR-HNNXBMFYSA-N 1 0 382.302 1.996 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000449441346 531472235 /nfs/dbraw/zinc/47/22/35/531472235.db2.gz GKKSLIYCMYOUEN-CYBMUJFWSA-N 1 0 387.933 1.862 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449707354 531472694 /nfs/dbraw/zinc/47/26/94/531472694.db2.gz DDMSZLLZEHSUFO-YCPHGPKFSA-N 1 0 385.555 1.330 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)n(-c2cccc(Br)c2)n1 ZINC000415296711 531472986 /nfs/dbraw/zinc/47/29/86/531472986.db2.gz SWZPVWYQCZXFHV-GFCCVEGCSA-N 1 0 392.257 1.441 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415549458 531493622 /nfs/dbraw/zinc/49/36/22/531493622.db2.gz GYMFQZWRTGBYPK-SSDOTTSWSA-N 1 0 390.209 1.167 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N(C)[C@H](C)C[NH3+])c1 ZINC000415364599 531479155 /nfs/dbraw/zinc/47/91/55/531479155.db2.gz UOGJZLSQDISHON-MRVPVSSYSA-N 1 0 391.209 1.889 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415359254 531479370 /nfs/dbraw/zinc/47/93/70/531479370.db2.gz VQOGITNEAZNUJB-JTQLQIEISA-N 1 0 377.242 1.743 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cccc(I)c2)CC1 ZINC000415370004 531479683 /nfs/dbraw/zinc/47/96/83/531479683.db2.gz NIIMLGWFIDDTCA-UHFFFAOYSA-N 1 0 387.221 1.616 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415371120 531479738 /nfs/dbraw/zinc/47/97/38/531479738.db2.gz RPYWCACTCPVJAR-UHFFFAOYSA-N 1 0 383.290 1.714 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000415372158 531479781 /nfs/dbraw/zinc/47/97/81/531479781.db2.gz UUMZSIVTNBXKLM-UHFFFAOYSA-N 1 0 397.163 1.234 20 0 GDADRO CC[NH2+]CCNC(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000415366371 531480121 /nfs/dbraw/zinc/48/01/21/531480121.db2.gz YCWNBJOLDBMQTD-UHFFFAOYSA-N 1 0 391.209 1.809 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(F)cc1I ZINC000415370467 531480192 /nfs/dbraw/zinc/48/01/92/531480192.db2.gz CZEMJVWOLQBIMQ-VIFPVBQESA-N 1 0 391.184 1.237 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCC[C@H](C)[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000415379254 531480812 /nfs/dbraw/zinc/48/08/12/531480812.db2.gz QYSHBVGQVOOIGK-VIFPVBQESA-N 1 0 384.267 2.280 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415372855 531481052 /nfs/dbraw/zinc/48/10/52/531481052.db2.gz HCZMUSXXPJGEOX-GFCCVEGCSA-N 1 0 392.257 1.442 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000280405060 531493294 /nfs/dbraw/zinc/49/32/94/531493294.db2.gz YSUYSFFNCGHCSU-UHFFFAOYSA-N 1 0 394.216 1.096 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000415395035 531482572 /nfs/dbraw/zinc/48/25/72/531482572.db2.gz NILYVBICVCOEIN-UHFFFAOYSA-N 1 0 384.274 1.854 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc(I)c1 ZINC000415406512 531483230 /nfs/dbraw/zinc/48/32/30/531483230.db2.gz DPNYXGDJGLHQEC-VIFPVBQESA-N 1 0 375.210 1.201 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000415406537 531483367 /nfs/dbraw/zinc/48/33/67/531483367.db2.gz DQOOUVSPBYUZDC-SECBINFHSA-N 1 0 388.262 1.377 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415415476 531483804 /nfs/dbraw/zinc/48/38/04/531483804.db2.gz QTNMGQSZIGKOBQ-JTQLQIEISA-N 1 0 379.258 1.908 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415415683 531484275 /nfs/dbraw/zinc/48/42/75/531484275.db2.gz ITVHGHUFNNBWOE-SNVBAGLBSA-N 1 0 380.246 1.379 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415428568 531485079 /nfs/dbraw/zinc/48/50/79/531485079.db2.gz CWMGGQOBJDWEGF-GHMZBOCLSA-N 1 0 384.274 1.982 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415441798 531485757 /nfs/dbraw/zinc/48/57/57/531485757.db2.gz FZWKPGMJOOUSPT-LBPRGKRZSA-N 1 0 388.237 1.779 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415437558 531485986 /nfs/dbraw/zinc/48/59/86/531485986.db2.gz CMQOUPGICUODAX-PELKAZGASA-N 1 0 388.251 1.914 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415437032 531486279 /nfs/dbraw/zinc/48/62/79/531486279.db2.gz KFPCYELWGNFQSE-CYBMUJFWSA-N 1 0 394.273 1.673 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(I)c1 ZINC000415448532 531487161 /nfs/dbraw/zinc/48/71/61/531487161.db2.gz VCFCERVYSOHMPR-LLVKDONJSA-N 1 0 375.210 1.329 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000488676796 531488609 /nfs/dbraw/zinc/48/86/09/531488609.db2.gz XBQSIPFITUTDIE-RHSMWYFYSA-N 1 0 393.329 1.534 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000545157086 531489297 /nfs/dbraw/zinc/48/92/97/531489297.db2.gz YQTHNPLFEUMWBV-MRXNPFEDSA-N 1 0 379.258 1.431 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415552868 531493560 /nfs/dbraw/zinc/49/35/60/531493560.db2.gz NUVCUMPLFOLLIQ-ZETCQYMHSA-N 1 0 395.628 1.737 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)[C@@H](C)C[NH2+]1 ZINC000415550735 531493666 /nfs/dbraw/zinc/49/36/66/531493666.db2.gz CQTGLXUCXVOWAM-YUMQZZPRSA-N 1 0 376.201 1.875 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cccc(I)c1 ZINC000415489107 531489701 /nfs/dbraw/zinc/48/97/01/531489701.db2.gz WJGNBDUCZVIJPW-UHFFFAOYSA-N 1 0 389.237 1.673 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415473465 531490233 /nfs/dbraw/zinc/49/02/33/531490233.db2.gz FMLMNNYBZDOEBR-MNOVXSKESA-N 1 0 382.258 1.749 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415551324 531493564 /nfs/dbraw/zinc/49/35/64/531493564.db2.gz XWAHQVZNQIXPRJ-UHFFFAOYSA-N 1 0 384.274 1.229 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](S(=O)(=O)NC)C1)CC(C)C ZINC000363534146 531490528 /nfs/dbraw/zinc/49/05/28/531490528.db2.gz LAUVQTBKQIGZOZ-HOTGVXAUSA-N 1 0 376.567 1.466 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCC[NH+]1CCSCC1 ZINC000488913404 531490719 /nfs/dbraw/zinc/49/07/19/531490719.db2.gz GXWBLZAFJAYPHF-UHFFFAOYSA-N 1 0 391.946 1.173 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(I)cc1 ZINC000415520940 531491523 /nfs/dbraw/zinc/49/15/23/531491523.db2.gz KYVGDVKXXGYGQB-NXEZZACHSA-N 1 0 387.221 1.425 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCNC(C)=O ZINC000294696806 531491585 /nfs/dbraw/zinc/49/15/85/531491585.db2.gz GJBKGCVZQRVFHH-LLVKDONJSA-N 1 0 386.290 1.578 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncnc3cc(Br)ccc32)C1 ZINC000450300487 531492766 /nfs/dbraw/zinc/49/27/66/531492766.db2.gz DAWOKWAQCSNNJS-GFCCVEGCSA-N 1 0 392.301 2.392 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1cccc(F)c1I ZINC000415356743 531478276 /nfs/dbraw/zinc/47/82/76/531478276.db2.gz HOICWDJTXNKNGQ-SECBINFHSA-N 1 0 392.216 1.455 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C1 ZINC000415358554 531478286 /nfs/dbraw/zinc/47/82/86/531478286.db2.gz UJMJHTJEXQTCPV-GFCCVEGCSA-N 1 0 382.917 1.639 20 0 GDADRO O=C(CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)Nc1ccc(Br)cc1 ZINC000363815199 531511551 /nfs/dbraw/zinc/51/15/51/531511551.db2.gz HZZAHZSLCONBHJ-YOGCLGLASA-N 1 0 394.269 1.319 20 0 GDADRO COc1cc([C@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)ccc1S(C)(=O)=O ZINC000489887275 531513724 /nfs/dbraw/zinc/51/37/24/531513724.db2.gz VJVPDGCKOIQHQR-JSGCOSHPSA-N 1 0 388.555 1.959 20 0 GDADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1nc2ncc(Br)cn2n1 ZINC000548732685 531514215 /nfs/dbraw/zinc/51/42/15/531514215.db2.gz SJIMRUSOEZPIFF-NSHDSACASA-N 1 0 381.278 1.737 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415691447 531515198 /nfs/dbraw/zinc/51/51/98/531515198.db2.gz NBKRBZQLLCFLTO-INIZCTEOSA-N 1 0 388.251 1.916 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)Nc1ccccc1Cl ZINC000415694371 531515771 /nfs/dbraw/zinc/51/57/71/531515771.db2.gz PHQHVDOAZGXATN-LBPRGKRZSA-N 1 0 378.782 1.231 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000548886079 531517617 /nfs/dbraw/zinc/51/76/17/531517617.db2.gz QVBKYRFJPPFRMH-LBPRGKRZSA-N 1 0 392.884 1.151 20 0 GDADRO Cc1nnc2n1C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000557728425 531518467 /nfs/dbraw/zinc/51/84/67/531518467.db2.gz SQVPSYZGFXZWAI-DZGCQCFKSA-N 1 0 395.301 1.941 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cccc(I)c1)C[NH+](C)C ZINC000490061239 531518516 /nfs/dbraw/zinc/51/85/16/531518516.db2.gz WQPNTWSMCGJLKC-SNVBAGLBSA-N 1 0 382.267 1.767 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415546854 531493905 /nfs/dbraw/zinc/49/39/05/531493905.db2.gz NPZYNZGDPFUMRP-UHFFFAOYSA-N 1 0 380.189 1.018 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)cc1I ZINC000489118105 531494216 /nfs/dbraw/zinc/49/42/16/531494216.db2.gz RWADXJSRHWSBIJ-LLVKDONJSA-N 1 0 394.278 1.972 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415559544 531494792 /nfs/dbraw/zinc/49/47/92/531494792.db2.gz ZWSPKYXHXDMDIK-UHFFFAOYSA-N 1 0 384.267 1.855 20 0 GDADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCC2(CS(C)(=O)=O)CC2)[C@H](C(F)(F)F)C1 ZINC000556504628 531496481 /nfs/dbraw/zinc/49/64/81/531496481.db2.gz ZTPGALYWSIUWOG-VXGBXAGGSA-N 1 0 384.464 1.836 20 0 GDADRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000268355312 531497497 /nfs/dbraw/zinc/49/74/97/531497497.db2.gz VPJDYCNAIXGVCV-LBPRGKRZSA-N 1 0 389.543 1.745 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000415584758 531498480 /nfs/dbraw/zinc/49/84/80/531498480.db2.gz TUTAXCRRKWKAHH-SUHUHFCYSA-N 1 0 396.285 1.982 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000635613778 531499519 /nfs/dbraw/zinc/49/95/19/531499519.db2.gz RVMFITIVBGRBOZ-MGPQQGTHSA-N 1 0 382.448 1.544 20 0 GDADRO CCCN(CCC[NH+](C)C)C(=O)c1cnn(C)c1I ZINC000294829133 531500176 /nfs/dbraw/zinc/50/01/76/531500176.db2.gz GYWQIWWHEYSVBA-UHFFFAOYSA-N 1 0 378.258 1.829 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000581595651 531502066 /nfs/dbraw/zinc/50/20/66/531502066.db2.gz DFEXAJXLSGQOEA-MRVPVSSYSA-N 1 0 376.201 1.863 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCc2n[nH]cc2Br)ccc1C[NH+](C)C ZINC000556810999 531503152 /nfs/dbraw/zinc/50/31/52/531503152.db2.gz RWBJLPXDMOUDGN-UHFFFAOYSA-N 1 0 394.273 1.797 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CCO1 ZINC000415605842 531503592 /nfs/dbraw/zinc/50/35/92/531503592.db2.gz XSPJXEOGNKDLCH-VIFPVBQESA-N 1 0 376.638 1.227 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415624328 531504630 /nfs/dbraw/zinc/50/46/30/531504630.db2.gz KOWTZLLWNABZCZ-SECBINFHSA-N 1 0 376.201 1.924 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635725409 531505563 /nfs/dbraw/zinc/50/55/63/531505563.db2.gz RYMQRJIFMFXAPK-GFCCVEGCSA-N 1 0 391.946 1.813 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415631993 531506071 /nfs/dbraw/zinc/50/60/71/531506071.db2.gz XQNIRTDLUGOVFI-ZWNOBZJWSA-N 1 0 384.274 1.901 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2I)C1 ZINC000415642137 531506303 /nfs/dbraw/zinc/50/63/03/531506303.db2.gz GWUYZOABSLZSGQ-ZJUUUORDSA-N 1 0 387.221 1.616 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000557018587 531507435 /nfs/dbraw/zinc/50/74/35/531507435.db2.gz XCFPLDVBQDJJNH-NKWVEPMBSA-N 1 0 378.654 1.902 20 0 GDADRO C[C@H](CCNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[NH+](C)C ZINC000658423263 531508923 /nfs/dbraw/zinc/50/89/23/531508923.db2.gz IKTGSIJRHYEEBR-SNVBAGLBSA-N 1 0 386.265 1.934 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000280540101 531509304 /nfs/dbraw/zinc/50/93/04/531509304.db2.gz HXIHABRLIOIEOL-LBPRGKRZSA-N 1 0 393.506 1.348 20 0 GDADRO C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)[C@H](c1ccccc1)[NH+](C)C ZINC000548432899 531510113 /nfs/dbraw/zinc/51/01/13/531510113.db2.gz DCJBYAYRDQTBKE-YVEFUNNKSA-N 1 0 381.523 1.746 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1Br ZINC000415726820 531520680 /nfs/dbraw/zinc/52/06/80/531520680.db2.gz PEDCGBITIYKSSH-CYBMUJFWSA-N 1 0 395.301 1.202 20 0 GDADRO C[N@H+](CC(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1)CC(C)(C)C ZINC000635903120 531521121 /nfs/dbraw/zinc/52/11/21/531521121.db2.gz YEQDXFMYMGBQLV-UHFFFAOYSA-N 1 0 383.505 1.482 20 0 GDADRO [NH3+]C1(CNC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CCC1 ZINC000581882816 531521179 /nfs/dbraw/zinc/52/11/79/531521179.db2.gz PSHOLVYOTKDPPR-UHFFFAOYSA-N 1 0 379.507 1.838 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415741836 531522214 /nfs/dbraw/zinc/52/22/14/531522214.db2.gz KFWANLXXFIEFHV-JQWIXIFHSA-N 1 0 392.257 1.521 20 0 GDADRO CN(C(=O)C(=O)Nc1cc(Cl)ccc1I)C1C[NH2+]C1 ZINC000415730165 531522277 /nfs/dbraw/zinc/52/22/77/531522277.db2.gz DHZOPXRCOCXUCX-UHFFFAOYSA-N 1 0 393.612 1.313 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415740395 531522570 /nfs/dbraw/zinc/52/25/70/531522570.db2.gz ITTJHLPRHJFFCM-JTQLQIEISA-N 1 0 389.237 1.863 20 0 GDADRO CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)CSCC[NH+](CC)CC)cn1 ZINC000490283569 531524027 /nfs/dbraw/zinc/52/40/27/531524027.db2.gz HYPFMSQTGRFVOJ-LMKMVOKYSA-N 1 0 386.587 1.610 20 0 GDADRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCSCC2)C1 ZINC000549749349 531524189 /nfs/dbraw/zinc/52/41/89/531524189.db2.gz DUFUDEFEUYMDFO-JKSUJKDBSA-N 1 0 392.587 1.857 20 0 GDADRO CSC1(CNC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC[NH+](C)CC1 ZINC000581976516 531524568 /nfs/dbraw/zinc/52/45/68/531524568.db2.gz MNJZJVMURNYBLP-CYBMUJFWSA-N 1 0 382.496 1.997 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)ncc1Br ZINC000415758747 531525436 /nfs/dbraw/zinc/52/54/36/531525436.db2.gz HXNVADJHRDDMEW-CYBMUJFWSA-N 1 0 395.301 1.939 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000550311815 531525425 /nfs/dbraw/zinc/52/54/25/531525425.db2.gz JAGUYZPMIGLIBW-UHFFFAOYSA-N 1 0 384.318 1.908 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC[NH2+]1 ZINC000582004146 531526626 /nfs/dbraw/zinc/52/66/26/531526626.db2.gz GMDHMMAHKFLFIG-QWRGUYRKSA-N 1 0 379.404 1.240 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC[NH2+]1 ZINC000582004144 531527520 /nfs/dbraw/zinc/52/75/20/531527520.db2.gz GMDHMMAHKFLFIG-GHMZBOCLSA-N 1 0 379.404 1.240 20 0 GDADRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)CC1CCS(=O)(=O)CC1)c1ccco1 ZINC000557844148 531529387 /nfs/dbraw/zinc/52/93/87/531529387.db2.gz OZEYLBBOIHAZHT-DZGCQCFKSA-N 1 0 392.543 1.453 20 0 GDADRO C[NH2+]CCN(C)C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000415785077 531529877 /nfs/dbraw/zinc/52/98/77/531529877.db2.gz HRBDFWDBRBPKJM-UHFFFAOYSA-N 1 0 385.310 1.279 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415782659 531529979 /nfs/dbraw/zinc/52/99/79/531529979.db2.gz NFZJQEPAGCQQSY-YPMHNXCESA-N 1 0 396.285 1.915 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(F)cc(Br)c1F)C(F)F ZINC000415785106 531530165 /nfs/dbraw/zinc/53/01/65/531530165.db2.gz HUVAIRSSIJPWOT-SSDOTTSWSA-N 1 0 386.143 1.765 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1OCCOC ZINC000415791773 531531494 /nfs/dbraw/zinc/53/14/94/531531494.db2.gz SIGHPJNITQHIQX-LLVKDONJSA-N 1 0 388.262 1.266 20 0 GDADRO COCCOc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)cc1Cl ZINC000415791506 531531987 /nfs/dbraw/zinc/53/19/87/531531987.db2.gz QWULYZPGWVELHW-NSHDSACASA-N 1 0 379.791 1.402 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[NH2+]1 ZINC000415821939 531537250 /nfs/dbraw/zinc/53/72/50/531537250.db2.gz JIRGPWWAHYENDH-UHFFFAOYSA-N 1 0 381.274 1.870 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000415829216 531537306 /nfs/dbraw/zinc/53/73/06/531537306.db2.gz GVMLDKLCQKXEFJ-CABZTGNLSA-N 1 0 384.249 1.721 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C[C@@H]1[NH3+] ZINC000415826411 531537906 /nfs/dbraw/zinc/53/79/06/531537906.db2.gz CJTULHOVVHJNES-PELKAZGASA-N 1 0 383.239 1.318 20 0 GDADRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280767288 531538306 /nfs/dbraw/zinc/53/83/06/531538306.db2.gz FYJJJMLEZKVFRY-GARJFASQSA-N 1 0 397.324 1.936 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659080511 531538575 /nfs/dbraw/zinc/53/85/75/531538575.db2.gz GHWLCUZAPOTVHV-HTQZYQBOSA-N 1 0 376.201 1.862 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000659081780 531538894 /nfs/dbraw/zinc/53/88/94/531538894.db2.gz PRRAQCPVLWIBJD-UHFFFAOYSA-N 1 0 392.681 1.702 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(F)c1)C(F)(F)F ZINC000415832046 531539384 /nfs/dbraw/zinc/53/93/84/531539384.db2.gz IEZQTTFPAWTTPM-SECBINFHSA-N 1 0 386.143 1.923 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415844186 531541786 /nfs/dbraw/zinc/54/17/86/531541786.db2.gz YYXWRXQTUIYMPK-ZDUSSCGKSA-N 1 0 396.285 1.371 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000659112194 531542264 /nfs/dbraw/zinc/54/22/64/531542264.db2.gz LFGMYAZKERXJBS-ZETCQYMHSA-N 1 0 378.654 1.774 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cccc2cncc(Br)c21 ZINC000659104250 531542373 /nfs/dbraw/zinc/54/23/73/531542373.db2.gz HOKKUHYILCLBSE-UHFFFAOYSA-N 1 0 389.253 1.804 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)ccc1Br ZINC000415849742 531543488 /nfs/dbraw/zinc/54/34/88/531543488.db2.gz ZHWFYQPNOKGGCX-JTQLQIEISA-N 1 0 398.179 1.792 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000551714761 531545082 /nfs/dbraw/zinc/54/50/82/531545082.db2.gz URADDUKBHPYWJK-UHFFFAOYSA-N 1 0 384.318 1.839 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000558084412 531546459 /nfs/dbraw/zinc/54/64/59/531546459.db2.gz LZNFJTZNHSPGBN-UHFFFAOYSA-N 1 0 388.555 1.833 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415868922 531546950 /nfs/dbraw/zinc/54/69/50/531546950.db2.gz MNQUFCFGOGZBGK-VXGBXAGGSA-N 1 0 393.285 1.728 20 0 GDADRO NS(=O)(=O)c1ccsc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000612334741 531547778 /nfs/dbraw/zinc/54/77/78/531547778.db2.gz QEBLBBRJZHYDNF-CYBMUJFWSA-N 1 0 387.527 1.113 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000659491260 531548206 /nfs/dbraw/zinc/54/82/06/531548206.db2.gz QJLDMLKKAFTJOE-UHFFFAOYSA-N 1 0 386.905 1.141 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC000415877548 531548469 /nfs/dbraw/zinc/54/84/69/531548469.db2.gz IXQBGQGABNUBGB-UHFFFAOYSA-N 1 0 397.298 1.852 20 0 GDADRO CCC[N@H+](CCO)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000268640414 531548827 /nfs/dbraw/zinc/54/88/27/531548827.db2.gz OOSBKIPFDFNYIA-UHFFFAOYSA-N 1 0 377.894 1.233 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)NCC34CC(C3)C[NH2+]4)nc12 ZINC000659480596 531548928 /nfs/dbraw/zinc/54/89/28/531548928.db2.gz HSFYXLSRTTVPGP-UHFFFAOYSA-N 1 0 378.274 1.956 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415882145 531550788 /nfs/dbraw/zinc/55/07/88/531550788.db2.gz WZVFFFRMRSLGGT-UHFFFAOYSA-N 1 0 380.246 1.050 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000552190115 531552313 /nfs/dbraw/zinc/55/23/13/531552313.db2.gz ZECZDFGSDGLVRB-LLVKDONJSA-N 1 0 386.315 1.822 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000659684606 531552615 /nfs/dbraw/zinc/55/26/15/531552615.db2.gz JQVKQAZMUQHYTO-UHFFFAOYSA-N 1 0 382.302 1.793 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000659687679 531553108 /nfs/dbraw/zinc/55/31/08/531553108.db2.gz XNMKELUEWIHDQS-UHFFFAOYSA-N 1 0 386.279 1.828 20 0 GDADRO C[C@@H]1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C[C@@H]1[NH3+] ZINC000658974370 531534421 /nfs/dbraw/zinc/53/44/21/531534421.db2.gz UCPWDNGQYJGDIL-YGRLFVJLSA-N 1 0 394.269 1.631 20 0 GDADRO C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)C[C@@H]1[NH3+] ZINC000658972247 531534515 /nfs/dbraw/zinc/53/45/15/531534515.db2.gz OABNEROFWSZIGM-NEPJUHHUSA-N 1 0 389.568 1.295 20 0 GDADRO COc1ccc(I)c(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000415807215 531534503 /nfs/dbraw/zinc/53/45/03/531534503.db2.gz MTHYWSRYEJGXCM-HTQZYQBOSA-N 1 0 391.209 1.090 20 0 GDADRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280752647 531535987 /nfs/dbraw/zinc/53/59/87/531535987.db2.gz PYYMUTBPWYALQH-SECBINFHSA-N 1 0 399.332 1.182 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000659693217 531555142 /nfs/dbraw/zinc/55/51/42/531555142.db2.gz DLBVTZKTWXBWHU-WAUNPFCKSA-N 1 0 396.310 1.662 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000659693569 531555536 /nfs/dbraw/zinc/55/55/36/531555536.db2.gz IXSQCBQEFZKXJS-FTMAYTQWSA-N 1 0 396.310 1.580 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC000659714805 531556683 /nfs/dbraw/zinc/55/66/83/531556683.db2.gz NJGNJPYPSSQOCR-QWHCGFSZSA-N 1 0 380.286 1.986 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659741751 531559032 /nfs/dbraw/zinc/55/90/32/531559032.db2.gz OEDKPTXXYOADNY-UHFFFAOYSA-N 1 0 396.285 1.284 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000659751915 531559508 /nfs/dbraw/zinc/55/95/08/531559508.db2.gz XGYOBXDYDSOIIG-IUODEOHRSA-N 1 0 397.317 1.576 20 0 GDADRO C[C@@]1(C(N)=O)CC[N@@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000280944421 531560275 /nfs/dbraw/zinc/56/02/75/531560275.db2.gz JCDMABZOYQDXGX-BLLLJJGKSA-N 1 0 380.242 1.278 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000583145468 531565385 /nfs/dbraw/zinc/56/53/85/531565385.db2.gz HLGSTKGUKJOIJJ-ZDUSSCGKSA-N 1 0 380.297 1.467 20 0 GDADRO C[N@H+](C[C@H](O)COc1ccc(Br)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000451138693 531554131 /nfs/dbraw/zinc/55/41/31/531554131.db2.gz BGMBZRZYFUXTER-XIRDDKMYSA-N 1 0 385.302 1.594 20 0 GDADRO CC(=O)NCCN(Cc1ccc(C)s1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416040011 531554483 /nfs/dbraw/zinc/55/44/83/531554483.db2.gz HDPDEPYUVGLRJM-CYBMUJFWSA-N 1 0 380.436 1.984 20 0 GDADRO CC1(C)CCC[N@H+](CCNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000558567673 531569206 /nfs/dbraw/zinc/56/92/06/531569206.db2.gz JWSVGNWFMJTPMU-UHFFFAOYSA-N 1 0 387.933 1.857 20 0 GDADRO CNS(=O)(=O)NC1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000281054461 531572820 /nfs/dbraw/zinc/57/28/20/531572820.db2.gz RDZCPJUMSMQFKX-UHFFFAOYSA-N 1 0 383.905 1.748 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1OC ZINC000583380936 531573699 /nfs/dbraw/zinc/57/36/99/531573699.db2.gz NLPKYFNMRZXKGM-LBPRGKRZSA-N 1 0 387.889 1.223 20 0 GDADRO C[NH2+]CCCNS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000583380820 531574447 /nfs/dbraw/zinc/57/44/47/531574447.db2.gz GHEDXIACNOPVSV-UHFFFAOYSA-N 1 0 398.312 1.348 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000583430607 531575500 /nfs/dbraw/zinc/57/55/00/531575500.db2.gz QIXVNURAONXZQB-TZMCWYRMSA-N 1 0 381.274 1.606 20 0 GDADRO O=S(=O)(CC[NH2+][C@@H](CO)C1CCOCC1)c1ccc(Br)cc1 ZINC000554643207 531578649 /nfs/dbraw/zinc/57/86/49/531578649.db2.gz WHIFFIMMJPDXMA-HNNXBMFYSA-N 1 0 392.315 1.600 20 0 GDADRO Cc1nc(C)c(-c2csc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C)C3)n2)s1 ZINC000583504212 531580047 /nfs/dbraw/zinc/58/00/47/531580047.db2.gz JAIDECKTBSKBHM-NSHDSACASA-N 1 0 379.511 1.890 20 0 GDADRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000558750739 531580664 /nfs/dbraw/zinc/58/06/64/531580664.db2.gz PHKFYWLDOHMWAX-UHFFFAOYSA-N 1 0 377.894 1.457 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000281117515 531580718 /nfs/dbraw/zinc/58/07/18/531580718.db2.gz BTOSCTCLJHGKKY-AWEZNQCLSA-N 1 0 395.301 1.332 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]CCNc2cnccn2)c2cc(Br)ccc21 ZINC000558756920 531580722 /nfs/dbraw/zinc/58/07/22/531580722.db2.gz FOFCSMYBVZACFA-ZDUSSCGKSA-N 1 0 397.298 2.159 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cnc1Br ZINC000364647191 531585487 /nfs/dbraw/zinc/58/54/87/531585487.db2.gz NYPOAEDVSAPWOX-OLZOCXBDSA-N 1 0 397.273 1.070 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000583585418 531586256 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[NH3+]C[C@H](O)CCc1cn(Cc2ccc(Br)c3cccnc23)nn1 ZINC000641157507 531781660 /nfs/dbraw/zinc/78/16/60/531781660.db2.gz SDBWGAIEMAFJLZ-CYBMUJFWSA-N 1 0 376.258 1.889 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417575561 531781910 /nfs/dbraw/zinc/78/19/10/531781910.db2.gz GEIWBOKGWKDKNN-AWEZNQCLSA-N 1 0 397.317 1.754 20 0 GDADRO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2I)C1 ZINC000592365743 531782542 /nfs/dbraw/zinc/78/25/42/531782542.db2.gz XJNQJJNKJNIRNF-MRVPVSSYSA-N 1 0 386.642 1.666 20 0 GDADRO COc1cc(C(=O)NCCCCC[NH+]2CCCC2)sc1S(N)(=O)=O ZINC000508212257 531767020 /nfs/dbraw/zinc/76/70/20/531767020.db2.gz ZBLVZDIYLCCMAE-UHFFFAOYSA-N 1 0 375.516 1.400 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc(Br)ccc2OC(F)F)CCO1 ZINC000417416271 531767707 /nfs/dbraw/zinc/76/77/07/531767707.db2.gz ZKYCRAUCIJIMKN-NSHDSACASA-N 1 0 394.216 1.920 20 0 GDADRO C[C@@H](C(=O)N1CCOc2c(Br)cccc2C1)N1CCN(C)CC1 ZINC000366823946 531783034 /nfs/dbraw/zinc/78/30/34/531783034.db2.gz 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377.551 1.939 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418831320 531849040 /nfs/dbraw/zinc/84/90/40/531849040.db2.gz YPCYVYBBXIGBRF-VXGBXAGGSA-N 1 0 384.249 1.272 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418834779 531849475 /nfs/dbraw/zinc/84/94/75/531849475.db2.gz RYYDGYNNUTYBPW-HAQNSBGRSA-N 1 0 386.265 1.676 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418830432 531849675 /nfs/dbraw/zinc/84/96/75/531849675.db2.gz OMKOPRLZYPWNSY-UNIGVISCSA-N 1 0 392.297 1.489 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418836473 531849776 /nfs/dbraw/zinc/84/97/76/531849776.db2.gz RGLRCXTXLMMTQP-HKCMKHECSA-N 1 0 380.286 1.617 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000418839653 531850826 /nfs/dbraw/zinc/85/08/26/531850826.db2.gz DARMOXRIXKMWBB-WFASDCNBSA-N 1 0 384.318 1.986 20 0 GDADRO 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1.826 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000283246512 531844897 /nfs/dbraw/zinc/84/48/97/531844897.db2.gz BBHMWFKRYSDBKV-LLVKDONJSA-N 1 0 388.331 1.770 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000563443421 531844934 /nfs/dbraw/zinc/84/49/34/531844934.db2.gz WSFOLJQLNASCKG-OLZOCXBDSA-N 1 0 378.281 1.067 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)C[C@@H](C)[NH2+]1 ZINC000418812992 531844952 /nfs/dbraw/zinc/84/49/52/531844952.db2.gz SIDNMQXXPXQQLQ-GWOFURMSSA-N 1 0 386.315 1.692 20 0 GDADRO C[C@H]1CC[C@H](NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C[NH2+]1 ZINC000624406559 531845265 /nfs/dbraw/zinc/84/52/65/531845265.db2.gz GDBIGRCXVSVXKA-JQWIXIFHSA-N 1 0 379.404 1.398 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3cc(Br)ccc3F)CCN2C1=O ZINC000563457559 531845666 /nfs/dbraw/zinc/84/56/66/531845666.db2.gz LVRZQXJVPLZJHV-WCQYABFASA-N 1 0 385.237 1.042 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418823312 531846298 /nfs/dbraw/zinc/84/62/98/531846298.db2.gz RWBQUNMASYCBLN-ZKYQVNSYSA-N 1 0 398.276 1.709 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCCO1 ZINC000418824059 531847423 /nfs/dbraw/zinc/84/74/23/531847423.db2.gz YZIIMEKVDFWXQK-OSAQELSMSA-N 1 0 386.279 1.542 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418826996 531848124 /nfs/dbraw/zinc/84/81/24/531848124.db2.gz LDOSEHQDARHREV-OSAQELSMSA-N 1 0 380.286 1.537 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418934110 531866220 /nfs/dbraw/zinc/86/62/20/531866220.db2.gz BKNUSAFEWZEXKV-UKRRQHHQSA-N 1 0 380.286 1.892 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595123370 531866577 /nfs/dbraw/zinc/86/65/77/531866577.db2.gz YOHIVIVJFVAVQC-GHMZBOCLSA-N 1 0 384.351 1.552 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418934154 531866677 /nfs/dbraw/zinc/86/66/77/531866677.db2.gz FDWKAANIXPOBAY-UHFFFAOYSA-N 1 0 386.290 1.387 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642982194 531866878 /nfs/dbraw/zinc/86/68/78/531866878.db2.gz RBKWCEDQCPOXGU-GFCCVEGCSA-N 1 0 386.265 1.805 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)N1CC[NH2+]CC1 ZINC000563957910 531867246 /nfs/dbraw/zinc/86/72/46/531867246.db2.gz VNCPKWYFYGCOPY-UHFFFAOYSA-N 1 0 385.795 1.069 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000624956570 531867907 /nfs/dbraw/zinc/86/79/07/531867907.db2.gz QUEFIURFVZHKPM-UHFFFAOYSA-N 1 0 386.440 1.418 20 0 GDADRO O=S(=O)(CC1CCS(=O)(=O)CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367816274 531868230 /nfs/dbraw/zinc/86/82/30/531868230.db2.gz NUMFZIWXSNBBMD-NVXWUHKLSA-N 1 0 390.571 1.090 20 0 GDADRO CC[NH+](CC)CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000298141018 531856315 /nfs/dbraw/zinc/85/63/15/531856315.db2.gz LQZIUWWFIHQQSP-UHFFFAOYSA-N 1 0 392.319 1.185 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000418853944 531856534 /nfs/dbraw/zinc/85/65/34/531856534.db2.gz KGLQKFRDGJREKH-SMDDNHRTSA-N 1 0 382.302 1.817 20 0 GDADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000671617743 531856810 /nfs/dbraw/zinc/85/68/10/531856810.db2.gz ULEOKRMLUQBSJW-STQMWFEESA-N 1 0 378.445 1.022 20 0 GDADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000563633571 531858067 /nfs/dbraw/zinc/85/80/67/531858067.db2.gz LXNGBLGJFFFBRQ-OQPBUACISA-N 1 0 384.299 1.436 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000418870720 531858398 /nfs/dbraw/zinc/85/83/98/531858398.db2.gz SLZDDHJEOREGFB-SUNKGSAMSA-N 1 0 383.290 1.750 20 0 GDADRO CC[NH+](CC)CCN(C(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000624807900 531858778 /nfs/dbraw/zinc/85/87/78/531858778.db2.gz GSSXMCTULKCIBV-OWCLPIDISA-N 1 0 375.535 1.047 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000563633729 531858836 /nfs/dbraw/zinc/85/88/36/531858836.db2.gz QOARWKCJZOKRBU-LBPRGKRZSA-N 1 0 386.290 1.448 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000418871221 531859033 /nfs/dbraw/zinc/85/90/33/531859033.db2.gz UYVSGAVVDKMJHP-BNOWGMLFSA-N 1 0 380.286 1.694 20 0 GDADRO O=C(NCCc1ccc(Br)s1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642506532 531860598 /nfs/dbraw/zinc/86/05/98/531860598.db2.gz UWTSDYSGISYDGH-PWSUYJOCSA-N 1 0 386.315 1.380 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000672004806 531861453 /nfs/dbraw/zinc/86/14/53/531861453.db2.gz LMPAGBQQCXDPEZ-FZMZJTMJSA-N 1 0 398.301 1.673 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000563705588 531862642 /nfs/dbraw/zinc/86/26/42/531862642.db2.gz FHFPKQKOZDXOSZ-VXGBXAGGSA-N 1 0 385.306 1.994 20 0 GDADRO COc1c(Br)cc(CN(CC[NH3+])CCO)cc1Br ZINC000563796251 531863526 /nfs/dbraw/zinc/86/35/26/531863526.db2.gz WKMCJFKAUNCMQA-UHFFFAOYSA-N 1 0 382.096 1.973 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCOCc1ccc(Cl)cc1Cl ZINC000563808212 531864264 /nfs/dbraw/zinc/86/42/64/531864264.db2.gz FAWXCWJBGKVYCR-OAHLLOKOSA-N 1 0 388.295 1.885 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595241579 531871599 /nfs/dbraw/zinc/87/15/99/531871599.db2.gz BMLXTXFBEBCHKA-UHFFFAOYSA-N 1 0 399.232 1.406 20 0 GDADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000270452581 531871622 /nfs/dbraw/zinc/87/16/22/531871622.db2.gz JKZLFEJXHZBLOU-CABCVRRESA-N 1 0 389.518 1.242 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000595243768 531871839 /nfs/dbraw/zinc/87/18/39/531871839.db2.gz HQKDBTDUXVHXSA-SSDOTTSWSA-N 1 0 395.628 1.607 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418954382 531871927 /nfs/dbraw/zinc/87/19/27/531871927.db2.gz SWWDGJNBZWZOET-LBPRGKRZSA-N 1 0 384.274 1.060 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418957021 531871962 /nfs/dbraw/zinc/87/19/62/531871962.db2.gz DDVJTDBGPZUCBB-LBPRGKRZSA-N 1 0 387.267 1.022 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418970072 531873711 /nfs/dbraw/zinc/87/37/11/531873711.db2.gz KKSGUTCJALIYNB-ZJUUUORDSA-N 1 0 394.273 1.137 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1Br ZINC000418982496 531875621 /nfs/dbraw/zinc/87/56/21/531875621.db2.gz BBDDMLPQARPDPG-OKILXGFUSA-N 1 0 380.286 1.727 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000418993789 531877606 /nfs/dbraw/zinc/87/76/06/531877606.db2.gz PSAUZFSZFWKOQS-AWEZNQCLSA-N 1 0 382.302 1.566 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc1Br ZINC000419001372 531877617 /nfs/dbraw/zinc/87/76/17/531877617.db2.gz ARXWCDSENNFITR-MFKMUULPSA-N 1 0 386.290 1.734 20 0 GDADRO CCCN(C(=O)C(=O)NCc1ccc(Br)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000418991684 531877729 /nfs/dbraw/zinc/87/77/29/531877729.db2.gz MWRVPBJNLYGGRT-AWEZNQCLSA-N 1 0 382.302 1.974 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000419007354 531878559 /nfs/dbraw/zinc/87/85/59/531878559.db2.gz JPEPEKKIYRYUAG-QWRGUYRKSA-N 1 0 386.290 1.607 20 0 GDADRO C[NH+]1CCC2(CCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000367945809 531878948 /nfs/dbraw/zinc/87/89/48/531878948.db2.gz YKTQSDUOGFQIFT-UHFFFAOYSA-N 1 0 385.917 1.705 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(I)cc1Cl ZINC000566101937 531879770 /nfs/dbraw/zinc/87/97/70/531879770.db2.gz YEHUHWALUDSYDU-JTQLQIEISA-N 1 0 393.656 1.578 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419016515 531880041 /nfs/dbraw/zinc/88/00/41/531880041.db2.gz DNZZLQAMSBSJJW-ZDUSSCGKSA-N 1 0 382.302 1.708 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)[C@@H](C)[NH3+] ZINC000566097072 531880040 /nfs/dbraw/zinc/88/00/40/531880040.db2.gz LFXURFJZJJIWQR-DGCLKSJQSA-N 1 0 387.468 1.421 20 0 GDADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000566101327 531880406 /nfs/dbraw/zinc/88/04/06/531880406.db2.gz IIFNKROJIDTZNW-HOCLYGCPSA-N 1 0 396.285 1.217 20 0 GDADRO O=C(NCc1ccc(Br)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000283623109 531880682 /nfs/dbraw/zinc/88/06/82/531880682.db2.gz STFUCUMETGIGMQ-ZDUSSCGKSA-N 1 0 380.286 1.666 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000367952474 531880924 /nfs/dbraw/zinc/88/09/24/531880924.db2.gz PMKYSOVSMZGAIN-TXEJJXNPSA-N 1 0 387.889 1.489 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1Br ZINC000673800909 531883611 /nfs/dbraw/zinc/88/36/11/531883611.db2.gz MIQCAVWFWQXZEO-MRXNPFEDSA-N 1 0 396.329 1.894 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000283668077 531883730 /nfs/dbraw/zinc/88/37/30/531883730.db2.gz ZVTKPQXFHUMGSX-SECBINFHSA-N 1 0 378.420 1.940 20 0 GDADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564889761 531869829 /nfs/dbraw/zinc/86/98/29/531869829.db2.gz LIJGEQWINVQWFZ-ZDUSSCGKSA-N 1 0 387.267 1.259 20 0 GDADRO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000367834334 531870070 /nfs/dbraw/zinc/87/00/70/531870070.db2.gz VNFKDEMZAXDWDN-AVGNSLFASA-N 1 0 376.425 1.219 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419050489 531891136 /nfs/dbraw/zinc/89/11/36/531891136.db2.gz CZTCCEFIEXVZJA-DYEKYZERSA-N 1 0 382.302 1.692 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)CCc1c(F)cccc1F ZINC000625276443 531891187 /nfs/dbraw/zinc/89/11/87/531891187.db2.gz MUEYZXGIFNCQBQ-AWEZNQCLSA-N 1 0 377.501 1.699 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419046824 531891230 /nfs/dbraw/zinc/89/12/30/531891230.db2.gz WHYXHEDJGKSHOE-YMTOWFKASA-N 1 0 378.420 1.927 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419049013 531891243 /nfs/dbraw/zinc/89/12/43/531891243.db2.gz AJGUYVAUFBXHPC-JSGCOSHPSA-N 1 0 380.286 1.442 20 0 GDADRO C[C@H]1CCC[C@H](C)N(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH]cn2)C1 ZINC000566690415 531891613 /nfs/dbraw/zinc/89/16/13/531891613.db2.gz PSLOZENZSJRJNG-KBPBESRZSA-N 1 0 392.547 1.772 20 0 GDADRO O=C(NCCN1CCCOCC1)c1ccc(I)cn1 ZINC000456031834 531891849 /nfs/dbraw/zinc/89/18/49/531891849.db2.gz TYQDEKBIAGXKDQ-UHFFFAOYSA-N 1 0 375.210 1.138 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419052839 531892118 /nfs/dbraw/zinc/89/21/18/531892118.db2.gz ILTJDVUPAFIWCW-UXIGCNINSA-N 1 0 382.302 1.692 20 0 GDADRO CC[C@@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[C@H]1[NH3+] ZINC000647006759 531892328 /nfs/dbraw/zinc/89/23/28/531892328.db2.gz VEDUSBPOQAUYAE-BXUZGUMPSA-N 1 0 393.285 1.745 20 0 GDADRO CC[C@@H]1CN(C(=O)CN2c3ccc(Br)cc3OCC2=O)CC[C@@H]1[NH3+] ZINC000647006380 531892345 /nfs/dbraw/zinc/89/23/45/531892345.db2.gz PFDKTBQYAFSODN-YPMHNXCESA-N 1 0 396.285 1.760 20 0 GDADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647869470 531899546 /nfs/dbraw/zinc/89/95/46/531899546.db2.gz AKPXVOMMAWPZAX-GFCCVEGCSA-N 1 0 378.325 1.909 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419053438 531892778 /nfs/dbraw/zinc/89/27/78/531892778.db2.gz JXYMRWIWEDTXRA-KYOSRNDESA-N 1 0 380.286 1.317 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)C[C@@H]1[NH+](C)C ZINC000270554139 531893224 /nfs/dbraw/zinc/89/32/24/531893224.db2.gz HWGDOZOERVWVMQ-DLBZAZTESA-N 1 0 383.539 1.262 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419054017 531894160 /nfs/dbraw/zinc/89/41/60/531894160.db2.gz LDFSVINZUKIOSS-GXTWGEPZSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1sc2c(c1I)CNC2 ZINC000595949543 531894651 /nfs/dbraw/zinc/89/46/51/531894651.db2.gz WPOJVKJWNUBRBP-JGVFFNPUSA-N 1 0 391.278 1.765 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)[C@H]1C ZINC000567387982 531895062 /nfs/dbraw/zinc/89/50/62/531895062.db2.gz RTGMFXOBGQCESH-MNOVXSKESA-N 1 0 375.288 1.432 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419056177 531895205 /nfs/dbraw/zinc/89/52/05/531895205.db2.gz QFRXMRWWJUFBBA-UONOGXRCSA-N 1 0 382.302 1.836 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000419058193 531895375 /nfs/dbraw/zinc/89/53/75/531895375.db2.gz VXDHJCLUNYNDKJ-UXIGCNINSA-N 1 0 382.302 1.740 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1nn(C(C)(C)C)cc1Br ZINC000595950331 531895326 /nfs/dbraw/zinc/89/53/26/531895326.db2.gz JOHOBTCDQUJZPK-NSHDSACASA-N 1 0 387.278 1.378 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)CC[NH2+]1 ZINC000419065822 531896445 /nfs/dbraw/zinc/89/64/45/531896445.db2.gz IZWBLLPMBQFISM-ZANVPECISA-N 1 0 388.693 1.975 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C[C@@H]1[NH+](C)C ZINC000270575061 531896571 /nfs/dbraw/zinc/89/65/71/531896571.db2.gz OZCVITDIBNCSCG-DLBZAZTESA-N 1 0 383.539 1.262 20 0 GDADRO Cn1cc(N2CC[C@H]([NH2+]Cc3cccc(I)c3)C2=O)cn1 ZINC000283794087 531896774 /nfs/dbraw/zinc/89/67/74/531896774.db2.gz APNZABBFOIOHHN-AWEZNQCLSA-N 1 0 396.232 1.920 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419076421 531897298 /nfs/dbraw/zinc/89/72/98/531897298.db2.gz WBCOYEKXWGWLJJ-SNVBAGLBSA-N 1 0 388.693 1.787 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419079329 531897724 /nfs/dbraw/zinc/89/77/24/531897724.db2.gz USGXERDZCGAFKG-ZDUSSCGKSA-N 1 0 397.317 1.117 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)s2)cs1 ZINC000419075731 531898091 /nfs/dbraw/zinc/89/80/91/531898091.db2.gz NGWJZBAMAZHJJZ-NSHDSACASA-N 1 0 378.523 1.659 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419078036 531898123 /nfs/dbraw/zinc/89/81/23/531898123.db2.gz SIPNHZPYCMAFAH-QWHCGFSZSA-N 1 0 397.317 1.103 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000647732537 531898435 /nfs/dbraw/zinc/89/84/35/531898435.db2.gz LZLUSPABZJXZBN-VIFPVBQESA-N 1 0 399.822 1.444 20 0 GDADRO Cc1c(Br)cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c(=O)n1C ZINC000298529131 531899123 /nfs/dbraw/zinc/89/91/23/531899123.db2.gz JBZDZSQXLKEKJL-LBPRGKRZSA-N 1 0 386.290 1.033 20 0 GDADRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000298400038 531884737 /nfs/dbraw/zinc/88/47/37/531884737.db2.gz HGINKHDNZZZQBR-HNNXBMFYSA-N 1 0 385.555 1.210 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(C(F)(F)F)cs1 ZINC000419036117 531884803 /nfs/dbraw/zinc/88/48/03/531884803.db2.gz AUOHQLYSJZBBCZ-BBBLOLIVSA-N 1 0 376.404 1.692 20 0 GDADRO O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)C(=O)N1CC[NH2+]CC1 ZINC000419031578 531884893 /nfs/dbraw/zinc/88/48/93/531884893.db2.gz ACRQAXXVMNRIMC-UHFFFAOYSA-N 1 0 378.885 1.554 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000419036823 531885994 /nfs/dbraw/zinc/88/59/94/531885994.db2.gz HKPRFUSYSSDIQC-CQSZACIVSA-N 1 0 396.285 1.586 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000419036926 531886092 /nfs/dbraw/zinc/88/60/92/531886092.db2.gz CBWBOMLRIJTEEK-CABZTGNLSA-N 1 0 375.803 1.801 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000270524124 531886412 /nfs/dbraw/zinc/88/64/12/531886412.db2.gz UGCGABJXNHUMRM-ZIAGYGMSSA-N 1 0 391.946 1.366 20 0 GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccnc1OCC(F)F ZINC000625216898 531886515 /nfs/dbraw/zinc/88/65/15/531886515.db2.gz UYNCZKKFGGWDPV-QWHCGFSZSA-N 1 0 375.441 1.973 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CCCO1 ZINC000419099240 531899444 /nfs/dbraw/zinc/89/94/44/531899444.db2.gz IBBNGNFSSFVFOV-LLVKDONJSA-N 1 0 382.873 1.142 20 0 GDADRO C[C@@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000298446239 531888468 /nfs/dbraw/zinc/88/84/68/531888468.db2.gz IQZYVHNOJYBOCC-YOEHRIQHSA-N 1 0 382.551 1.470 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419043257 531888690 /nfs/dbraw/zinc/88/86/90/531888690.db2.gz NCZSJZKJOLYXMZ-GUBZILKMSA-N 1 0 378.420 1.925 20 0 GDADRO CN(CC[C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(I)cc1 ZINC000567605307 531899503 /nfs/dbraw/zinc/89/95/03/531899503.db2.gz NAOFVSLYSLDCSW-LLVKDONJSA-N 1 0 394.278 1.911 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1nc(C2CC2)ncc1Br ZINC000368064235 531889385 /nfs/dbraw/zinc/88/93/85/531889385.db2.gz NDMJZQIRHFUKIU-NWDGAFQWSA-N 1 0 381.274 1.710 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419045374 531890100 /nfs/dbraw/zinc/89/01/00/531890100.db2.gz WGBHAUZRNYZAHS-MRVPVSSYSA-N 1 0 382.675 1.995 20 0 GDADRO CN(C(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)C1CC[NH2+]CC1 ZINC000419046943 531891021 /nfs/dbraw/zinc/89/10/21/531891021.db2.gz WYYRMGWHWNNYQB-UHFFFAOYSA-N 1 0 375.803 1.768 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)NCC1=CC[NH2+]CC1 ZINC000419162157 531907198 /nfs/dbraw/zinc/90/71/98/531907198.db2.gz GGKZHGUKLJCXKQ-UHFFFAOYSA-N 1 0 386.279 1.662 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)c1Br ZINC000419164726 531907321 /nfs/dbraw/zinc/90/73/21/531907321.db2.gz MIAJVIGVNSHRLZ-ZDUSSCGKSA-N 1 0 382.302 1.880 20 0 GDADRO CC[NH+](CC)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000298659595 531908045 /nfs/dbraw/zinc/90/80/45/531908045.db2.gz BQJIQNJWHMGFQC-UHFFFAOYSA-N 1 0 389.905 1.641 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000648139556 531908290 /nfs/dbraw/zinc/90/82/90/531908290.db2.gz ZORCJJDXVZZGEM-QWRGUYRKSA-N 1 0 392.308 1.340 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419170742 531908418 /nfs/dbraw/zinc/90/84/18/531908418.db2.gz WGSCFFAWGAPLJN-CQSZACIVSA-N 1 0 388.295 1.837 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419172051 531908774 /nfs/dbraw/zinc/90/87/74/531908774.db2.gz YKKWPPCYDJZQFX-OLZOCXBDSA-N 1 0 382.302 1.878 20 0 GDADRO O=C(c1cc(F)c(F)cc1I)N1CCOC2(C[NH2+]C2)C1 ZINC000596098807 531908801 /nfs/dbraw/zinc/90/88/01/531908801.db2.gz NOCGQODMSGANSS-UHFFFAOYSA-N 1 0 394.159 1.384 20 0 GDADRO C[C@]1(CNC(=O)C(=O)NCCc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000419188694 531910090 /nfs/dbraw/zinc/91/00/90/531910090.db2.gz KPPNDDBEWAIJMJ-KRWDZBQOSA-N 1 0 382.302 1.614 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000270708550 531912463 /nfs/dbraw/zinc/91/24/63/531912463.db2.gz HKMGBXMTKVYEJL-SNVBAGLBSA-N 1 0 377.869 1.540 20 0 GDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Br)s1 ZINC000675817203 531912391 /nfs/dbraw/zinc/91/23/91/531912391.db2.gz MUHSHLBEMGEJHM-NSHDSACASA-N 1 0 396.376 1.738 20 0 GDADRO O=C(NCCc1ccccc1Br)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419203505 531913122 /nfs/dbraw/zinc/91/31/22/531913122.db2.gz IBWPSRBQDZRONK-QGZVFWFLSA-N 1 0 380.286 1.320 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1)C1CC1 ZINC000419083892 531899924 /nfs/dbraw/zinc/89/99/24/531899924.db2.gz XKTFWMDUQLREOC-AWEZNQCLSA-N 1 0 380.286 1.450 20 0 GDADRO CN(C(=O)c1sc2c(c1I)CNC2)[C@H](C[NH3+])C1CC1 ZINC000595965448 531901281 /nfs/dbraw/zinc/90/12/81/531901281.db2.gz YTJGXQCNWKPKFK-SECBINFHSA-N 1 0 391.278 1.765 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000419103505 531901672 /nfs/dbraw/zinc/90/16/72/531901672.db2.gz RZCFJQQJQPTIDG-IINYFYTJSA-N 1 0 386.279 1.592 20 0 GDADRO C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000567807347 531902098 /nfs/dbraw/zinc/90/20/98/531902098.db2.gz CCGILKVOKFLBJC-AAEUAGOBSA-N 1 0 384.274 1.201 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000419136686 531902798 /nfs/dbraw/zinc/90/27/98/531902798.db2.gz PLGMRFVBCAEVBR-GXSJLCMTSA-N 1 0 388.693 1.914 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000419147022 531904409 /nfs/dbraw/zinc/90/44/09/531904409.db2.gz IYKZAHFJAONNNK-CABCVRRESA-N 1 0 388.295 1.617 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)NCc1ccc(Br)cc1Cl ZINC000419140876 531904594 /nfs/dbraw/zinc/90/45/94/531904594.db2.gz WNQHGRXBHMCSJY-UHFFFAOYSA-N 1 0 388.693 1.977 20 0 GDADRO NS(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000625860323 531917460 /nfs/dbraw/zinc/91/74/60/531917460.db2.gz 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[NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000419754183 531965290 /nfs/dbraw/zinc/96/52/90/531965290.db2.gz ZMRBCTJGTCXYFW-CVEARBPZSA-N 1 0 394.313 1.836 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419764231 531966219 /nfs/dbraw/zinc/96/62/19/531966219.db2.gz VWLOVFGUPZUSFP-CHWSQXEVSA-N 1 0 385.295 1.557 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419775849 531968073 /nfs/dbraw/zinc/96/80/73/531968073.db2.gz JYWQIOIOMOENHP-JQWIXIFHSA-N 1 0 384.274 1.503 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2OC)C1 ZINC000419779904 531968138 /nfs/dbraw/zinc/96/81/38/531968138.db2.gz NSDYORAWEJDZFQ-JQWIXIFHSA-N 1 0 384.274 1.455 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cc(F)cc(Br)c1 ZINC000419781614 531968583 /nfs/dbraw/zinc/96/85/83/531968583.db2.gz QBOKUBKETONPLB-ONERCXAPSA-N 1 0 398.276 1.976 20 0 GDADRO COCC[NH2+]CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000271122977 531969140 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COC(=O)[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)c1ccccc1Br ZINC000598185904 531971717 /nfs/dbraw/zinc/97/17/17/531971717.db2.gz QJKFXPPHPDFAPL-DOMZBBRYSA-N 1 0 399.285 1.748 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000419809200 531972406 /nfs/dbraw/zinc/97/24/06/531972406.db2.gz GPHJEXVOMUVRNI-DOMZBBRYSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419813524 531973736 /nfs/dbraw/zinc/97/37/36/531973736.db2.gz IOZJCFKNPLEICM-SJCJKPOMSA-N 1 0 382.302 1.694 20 0 GDADRO C[NH2+]C1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000573001817 531973693 /nfs/dbraw/zinc/97/36/93/531973693.db2.gz BRXUVAOTRAOXPT-UHFFFAOYSA-N 1 0 375.288 1.433 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000419819663 531973973 /nfs/dbraw/zinc/97/39/73/531973973.db2.gz NEOWNWFUTBQJCI-ZDUSSCGKSA-N 1 0 396.329 1.959 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+]CCCN3CCNC(=O)C3)cnc12 ZINC000655793019 531974712 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CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419853707 531978061 /nfs/dbraw/zinc/97/80/61/531978061.db2.gz ASYVWRAPNDECSA-CZUORRHYSA-N 1 0 394.313 1.966 20 0 GDADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419754701 531964570 /nfs/dbraw/zinc/96/45/70/531964570.db2.gz BRTLFMCSWAQAFU-VIFPVBQESA-N 1 0 382.194 1.689 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1F ZINC000598725201 531992654 /nfs/dbraw/zinc/99/26/54/531992654.db2.gz VERQFRQERKGNLU-VFZGTOFNSA-N 1 0 376.837 1.768 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)Cc1cc(Br)ccc1OC ZINC000419975440 531992766 /nfs/dbraw/zinc/99/27/66/531992766.db2.gz KTKRLOHSLWJGJO-LLVKDONJSA-N 1 0 386.290 1.388 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458764154 531992967 /nfs/dbraw/zinc/99/29/67/531992967.db2.gz RFNKPFAZVXMHFI-WCQYABFASA-N 1 0 390.297 1.989 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000419984430 531993215 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GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000419892006 531981944 /nfs/dbraw/zinc/98/19/44/531981944.db2.gz NMRMTFFTGSBTHJ-JTQLQIEISA-N 1 0 384.249 1.341 20 0 GDADRO C[N@H+](CCn1cc(Br)cn1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000573402586 531983042 /nfs/dbraw/zinc/98/30/42/531983042.db2.gz HETIZAZKEBGBKJ-LBPRGKRZSA-N 1 0 379.324 1.249 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000419897355 531983603 /nfs/dbraw/zinc/98/36/03/531983603.db2.gz YPULOXMVBXJYRT-ZJUUUORDSA-N 1 0 376.404 1.346 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000419897773 531983965 /nfs/dbraw/zinc/98/39/65/531983965.db2.gz WEFILCYSWWZGTF-NSHDSACASA-N 1 0 376.284 1.945 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419906276 531984074 /nfs/dbraw/zinc/98/40/74/531984074.db2.gz WPUVJKXBDDOPCX-TZMCWYRMSA-N 1 0 382.302 1.912 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N(CCOC)Cc1sccc1Br ZINC000419896259 531984108 /nfs/dbraw/zinc/98/41/08/531984108.db2.gz UHIWBMHVQIPOED-UHFFFAOYSA-N 1 0 392.319 1.211 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000573431373 531984268 /nfs/dbraw/zinc/98/42/68/531984268.db2.gz LNZRORCRSKHXLQ-JKSUJKDBSA-N 1 0 385.555 1.722 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nn(C)cc1I ZINC000458450664 531984483 /nfs/dbraw/zinc/98/44/83/531984483.db2.gz VIOXNOICRLNKNJ-JTQLQIEISA-N 1 0 391.257 1.308 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000419910304 531985142 /nfs/dbraw/zinc/98/51/42/531985142.db2.gz OOWZOQMMPPEQAB-UHFFFAOYSA-N 1 0 384.274 1.286 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419911601 531985217 /nfs/dbraw/zinc/98/52/17/531985217.db2.gz JXVKNSMOTYKZFV-CHWSQXEVSA-N 1 0 394.313 1.838 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000419939725 531987751 /nfs/dbraw/zinc/98/77/51/531987751.db2.gz JMCPFDNJGUDOHZ-SMDDNHRTSA-N 1 0 384.274 1.060 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCc2cccc(Br)c2C1 ZINC000419932724 531987813 /nfs/dbraw/zinc/98/78/13/531987813.db2.gz FXKQZWTYFKEHEY-CYBMUJFWSA-N 1 0 380.286 1.592 20 0 GDADRO Nc1ncc(Cl)cc1S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000657041614 531988851 /nfs/dbraw/zinc/98/88/51/531988851.db2.gz YDLBPJGVTDISDN-UHFFFAOYSA-N 1 0 388.921 1.487 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000419964806 531991196 /nfs/dbraw/zinc/99/11/96/531991196.db2.gz GGTNBKBYRDJHNK-CYBMUJFWSA-N 1 0 394.313 1.840 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000419958626 531991476 /nfs/dbraw/zinc/99/14/76/531991476.db2.gz VBLNFTRIKFUFBL-SNVBAGLBSA-N 1 0 388.331 1.973 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000574570668 531995906 /nfs/dbraw/zinc/99/59/06/531995906.db2.gz UYYGHGBXFXGIOQ-CABCVRRESA-N 1 0 396.285 1.217 20 0 GDADRO CS(=O)(=O)N1CCc2cc(-c3csc(NC4CC[NH2+]CC4)n3)ccc21 ZINC000574574969 531996170 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CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000632488004 532033277 /nfs/dbraw/zinc/03/32/77/532033277.db2.gz CDQQQOULFOEBRU-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3n[nH]c4ccc(I)cc43)C[C@H]21 ZINC000600000458 532039501 /nfs/dbraw/zinc/03/95/01/532039501.db2.gz WZFBTMUYKVUDDQ-YABSGUDNSA-N 1 0 396.232 1.800 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000600041967 532041253 /nfs/dbraw/zinc/04/12/53/532041253.db2.gz FXHVJYDUYVJDEM-ZDUSSCGKSA-N 1 0 389.315 1.432 20 0 GDADRO C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)Oc1ccc(Br)cc1 ZINC000460272304 532041993 /nfs/dbraw/zinc/04/19/93/532041993.db2.gz WZDWNCRRKGCBSV-LRDDRELGSA-N 1 0 386.290 1.582 20 0 GDADRO CN(CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21)C(=O)c1ccc(Br)o1 ZINC000632857651 532043432 /nfs/dbraw/zinc/04/34/32/532043432.db2.gz DSQFVSLVNMZIRM-NWDGAFQWSA-N 1 0 384.274 1.715 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1OC ZINC000600668851 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[NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3csc(Br)c3)C[C@@H]21 ZINC000331492736 532146226 /nfs/dbraw/zinc/14/62/26/532146226.db2.gz DDFWEGJMCKXDET-GRYCIOLGSA-N 1 0 386.315 1.713 20 0 GDADRO CCC[N@H+](C)[C@H](CNC(=O)CN(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000286405001 532147986 /nfs/dbraw/zinc/14/79/86/532147986.db2.gz PMILFMUMDHZNLN-OAHLLOKOSA-N 1 0 375.922 1.731 20 0 GDADRO Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Br)s3)C[C@H]2[NH3+])cn1 ZINC000331548118 532149212 /nfs/dbraw/zinc/14/92/12/532149212.db2.gz JBCOCMXTVLDRKP-VHSXEESVSA-N 1 0 391.316 1.360 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C[C@H]1[NH3+] ZINC000332152689 532166657 /nfs/dbraw/zinc/16/66/57/532166657.db2.gz LWJZWBPEFNNUJJ-LKFCYVNXSA-N 1 0 384.249 1.279 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)C1 ZINC000332156502 532166948 /nfs/dbraw/zinc/16/69/48/532166948.db2.gz MSNRKRRUKNXTGZ-MBNYWOFBSA-N 1 0 394.313 1.918 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)s1 ZINC000286676692 532168548 /nfs/dbraw/zinc/16/85/48/532168548.db2.gz KXFWTVGRKRZWEE-ZDUSSCGKSA-N 1 0 375.560 1.681 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)[C@H](C)C[NH2+]1 ZINC000332197356 532169875 /nfs/dbraw/zinc/16/98/75/532169875.db2.gz ZJVPWBMTAPCVOQ-JTNHKYCSSA-N 1 0 396.285 1.598 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)C[C@H]1[NH3+] ZINC000332204988 532170412 /nfs/dbraw/zinc/17/04/12/532170412.db2.gz YHPNPKAVUKACTB-UEKVPHQBSA-N 1 0 380.286 1.528 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000273554658 532156596 /nfs/dbraw/zinc/15/65/96/532156596.db2.gz WZLZCKBJYZIEJV-LBPRGKRZSA-N 1 0 392.518 1.580 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000286516218 532156876 /nfs/dbraw/zinc/15/68/76/532156876.db2.gz OSCYNRJNCRZCQN-CYBMUJFWSA-N 1 0 384.318 1.906 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000332067407 532162149 /nfs/dbraw/zinc/16/21/49/532162149.db2.gz SWBGJEWQKVUHRJ-RISCZKNCSA-N 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[NH3+]C[C@H]1CCN(C(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1 ZINC000429084691 532223116 /nfs/dbraw/zinc/22/31/16/532223116.db2.gz OIURSYNKRCQFMI-SNVBAGLBSA-N 1 0 378.523 1.926 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000333182333 532223623 /nfs/dbraw/zinc/22/36/23/532223623.db2.gz MYVDIPAYYXSHKJ-QWHCGFSZSA-N 1 0 380.486 1.349 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)c1[nH]nc2ccc(I)cc21 ZINC000429113163 532224015 /nfs/dbraw/zinc/22/40/15/532224015.db2.gz JUINBTBILIXJJZ-SECBINFHSA-N 1 0 384.221 1.897 20 0 GDADRO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000376694985 532225123 /nfs/dbraw/zinc/22/51/23/532225123.db2.gz LUTMPSCZKPLNCZ-GJZGRUSLSA-N 1 0 385.555 1.797 20 0 GDADRO Cc1cc(Br)cc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000376724265 532226353 /nfs/dbraw/zinc/22/63/53/532226353.db2.gz RJPQPQUIIUFLPA-AWEZNQCLSA-N 1 0 388.331 1.426 20 0 GDADRO C[C@@H]1NC(=O)N(CC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000333623456 532242174 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GDADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(OC)c1 ZINC000275393884 532293073 /nfs/dbraw/zinc/29/30/73/532293073.db2.gz NTOIRFMPAFQUGG-DOMZBBRYSA-N 1 0 390.527 1.379 20 0 GDADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1nccn2c(Br)cnc12 ZINC000275432468 532295405 /nfs/dbraw/zinc/29/54/05/532295405.db2.gz KRWWMFVSXZPSRJ-LLVKDONJSA-N 1 0 396.289 1.409 20 0 GDADRO COc1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c(Br)c1 ZINC000384925090 532295732 /nfs/dbraw/zinc/29/57/32/532295732.db2.gz FPUVHSDDTPUQSE-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288558520 532296669 /nfs/dbraw/zinc/29/66/69/532296669.db2.gz GNDZMBJMLSASSB-IUCAKERBSA-N 1 0 386.524 1.326 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000288554295 532296955 /nfs/dbraw/zinc/29/69/55/532296955.db2.gz GFLDDXXYBVTSKO-WCQYABFASA-N 1 0 387.230 1.060 20 0 GDADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000288573746 532297214 /nfs/dbraw/zinc/29/72/14/532297214.db2.gz KWVOJWUUNGYCGS-CZUORRHYSA-N 1 0 385.917 1.561 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)c1ccc(Br)cn1 ZINC000288634629 532300454 /nfs/dbraw/zinc/30/04/54/532300454.db2.gz RJRYUVUFCAOOOG-NSHDSACASA-N 1 0 383.290 1.574 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000288651192 532301623 /nfs/dbraw/zinc/30/16/23/532301623.db2.gz QQABAGOCMWLRBX-UHFFFAOYSA-N 1 0 377.532 1.039 20 0 GDADRO Cc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)sc1S(N)(=O)=O ZINC000397590154 532302930 /nfs/dbraw/zinc/30/29/30/532302930.db2.gz LYYJDAYMGSUZRR-UHFFFAOYSA-N 1 0 380.539 1.845 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)CCC1 ZINC000275684484 532305928 /nfs/dbraw/zinc/30/59/28/532305928.db2.gz AETDTLRJLYZZEF-UHFFFAOYSA-N 1 0 382.258 1.994 20 0 GDADRO O=C(C[NH2+][C@@H](CO)C1CCCC1)Nc1ccccc1S(=O)(=O)C(F)F ZINC000289463847 532325146 /nfs/dbraw/zinc/32/51/46/532325146.db2.gz HENLNLHOGXWMBI-ZDUSSCGKSA-N 1 0 376.425 1.762 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000275809647 532310707 /nfs/dbraw/zinc/31/07/07/532310707.db2.gz AOJKLIYRLFTXBP-UHFFFAOYSA-N 1 0 379.791 1.622 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000275809029 532310789 /nfs/dbraw/zinc/31/07/89/532310789.db2.gz QJQVBEHTXHLCCI-KGLIPLIRSA-N 1 0 389.543 1.088 20 0 GDADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289120032 532316127 /nfs/dbraw/zinc/31/61/27/532316127.db2.gz DKBJFULQQDWMJS-GFCCVEGCSA-N 1 0 378.274 1.445 20 0 GDADRO COCCOCCOCC[N@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000276294389 532326239 /nfs/dbraw/zinc/32/62/39/532326239.db2.gz UMPWDBQQJIFHBQ-GOSISDBHSA-N 1 0 375.893 1.829 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000276081127 532319366 /nfs/dbraw/zinc/31/93/66/532319366.db2.gz SKDZLRXOYMJZJT-WDEREUQCSA-N 1 0 378.541 1.509 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000289356807 532322467 /nfs/dbraw/zinc/32/24/67/532322467.db2.gz YDYZQWYVFOGQSC-GFCCVEGCSA-N 1 0 383.543 1.353 20 0 GDADRO COCCOCCOCC[N@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000276296155 532326357 /nfs/dbraw/zinc/32/63/57/532326357.db2.gz UXINAQPQUAFUIJ-KRWDZBQOSA-N 1 0 375.893 1.829 20 0 GDADRO CCOC(=O)c1csc(CCNC(=O)NC[C@@]2([NH+](C)C)CCSC2)n1 ZINC000276357612 532327902 /nfs/dbraw/zinc/32/79/02/532327902.db2.gz VGSVKTJYUXWING-INIZCTEOSA-N 1 0 386.543 1.599 20 0 GDADRO C[N@H+](C[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CC1 ZINC000289771224 532331980 /nfs/dbraw/zinc/33/19/80/532331980.db2.gz KKDZPGPRCYWEPV-QGZVFWFLSA-N 1 0 396.329 1.662 20 0 GDADRO NC(=O)c1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000289961928 532334766 /nfs/dbraw/zinc/33/47/66/532334766.db2.gz CMRKNUITVRQFCZ-OAHLLOKOSA-N 1 0 379.507 1.790 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000289993601 532335050 /nfs/dbraw/zinc/33/50/50/532335050.db2.gz WAGNZNXVXCWUMN-CQSZACIVSA-N 1 0 389.543 1.042 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](C)C(=O)Nc3ccccc32)C1 ZINC000072305672 205321615 /nfs/dbraw/zinc/32/16/15/205321615.db2.gz NWLKHIZZKWCTKL-IAGOWNOFSA-N 1 0 388.512 1.554 20 0 GDADRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccc(I)cc1 ZINC000098096533 205601766 /nfs/dbraw/zinc/60/17/66/205601766.db2.gz BNTBSSRKHONBDU-LLVKDONJSA-N 1 0 382.267 1.943 20 0 GDADRO Cc1nn(C)cc1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737512596 598825098 /nfs/dbraw/zinc/82/50/98/598825098.db2.gz ZWRITVIKUZFRCQ-UHFFFAOYSA-N 1 0 380.456 1.257 20 0 GDADRO C[N@H+](CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)C1CCCCC1 ZINC000736799809 598841178 /nfs/dbraw/zinc/84/11/78/598841178.db2.gz GISHOXGABOXXDH-UHFFFAOYSA-N 1 0 396.492 1.939 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736398690 598853985 /nfs/dbraw/zinc/85/39/85/598853985.db2.gz CKDLCNOBYRNFHX-CYBMUJFWSA-N 1 0 389.435 1.325 20 0 GDADRO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000736901079 598862382 /nfs/dbraw/zinc/86/23/82/598862382.db2.gz IAUYEHLOFJPNAT-GOSISDBHSA-N 1 0 384.484 1.889 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736266037 598868411 /nfs/dbraw/zinc/86/84/11/598868411.db2.gz FBBOQYLUMFIYBZ-GFCCVEGCSA-N 1 0 382.465 1.549 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000736269993 598869231 /nfs/dbraw/zinc/86/92/31/598869231.db2.gz ZRHZWLRLGJIBOI-RYUDHWBXSA-N 1 0 382.465 1.547 20 0 GDADRO C[N@H+](CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)C1CCCCC1 ZINC000736801644 598872469 /nfs/dbraw/zinc/87/24/69/598872469.db2.gz ZTJFQDQUJAWDNA-UHFFFAOYSA-N 1 0 382.465 1.549 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CCCCC1 ZINC000736757420 598872798 /nfs/dbraw/zinc/87/27/98/598872798.db2.gz SEOPEDNWPMRBJH-UHFFFAOYSA-N 1 0 382.465 1.549 20 0 GDADRO COC(=O)[C@@H]1CC12CC[NH+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)CC2 ZINC000736905836 598872973 /nfs/dbraw/zinc/87/29/73/598872973.db2.gz DLZXVLUCMAOQCW-AWEZNQCLSA-N 1 0 384.440 1.470 20 0 GDADRO COC(=O)[C@@H]1CC12CC[NH+]([C@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000736911092 598873260 /nfs/dbraw/zinc/87/32/60/598873260.db2.gz ZTWPGGHLKRGLBN-DOMZBBRYSA-N 1 0 384.440 1.469 20 0 GDADRO COC(=O)[C@H]1CC12CC[NH+]([C@@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000736911101 598873512 /nfs/dbraw/zinc/87/35/12/598873512.db2.gz ZTWPGGHLKRGLBN-SWLSCSKDSA-N 1 0 384.440 1.469 20 0 GDADRO O=S(=O)(c1cccc(Cl)c1-c1nn[nH]n1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000738355948 598875059 /nfs/dbraw/zinc/87/50/59/598875059.db2.gz WYPKCJWUMWDTQZ-GFCCVEGCSA-N 1 0 396.904 1.769 20 0 GDADRO Cc1nc(SCC(=O)N2CC[C@H](C[NH+](C)C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737482720 598911920 /nfs/dbraw/zinc/91/19/20/598911920.db2.gz LDAZZKTWSATRQS-CQSZACIVSA-N 1 0 389.529 1.689 20 0 GDADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000738433384 598936692 /nfs/dbraw/zinc/93/66/92/598936692.db2.gz RVPJAHAUDQJMTF-UHFFFAOYSA-N 1 0 380.456 1.359 20 0 GDADRO O=C(CN1CC[NH+](C2CCC2)CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737871918 598946282 /nfs/dbraw/zinc/94/62/82/598946282.db2.gz DNGHRCWUBVMOSH-UHFFFAOYSA-N 1 0 375.864 1.629 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736409512 599293636 /nfs/dbraw/zinc/29/36/36/599293636.db2.gz WBSGFQROJMCMOU-JKSUJKDBSA-N 1 0 376.486 1.255 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000737297295 598951980 /nfs/dbraw/zinc/95/19/80/598951980.db2.gz HEZWHBCLYAYVLP-KBPBESRZSA-N 1 0 378.502 1.716 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000737298024 598953435 /nfs/dbraw/zinc/95/34/35/598953435.db2.gz LVLNXYRJVXPOFO-CYBMUJFWSA-N 1 0 378.502 1.575 20 0 GDADRO CCOC(=O)[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736591324 598980535 /nfs/dbraw/zinc/98/05/35/598980535.db2.gz UMOGCKACJDELRF-AWEZNQCLSA-N 1 0 375.429 1.529 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)cc2)CC1 ZINC000736569296 598983175 /nfs/dbraw/zinc/98/31/75/598983175.db2.gz RGWOCKZIQQOMJK-UHFFFAOYSA-N 1 0 378.440 1.656 20 0 GDADRO CNC(=O)c1cccc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736881460 599010618 /nfs/dbraw/zinc/01/06/18/599010618.db2.gz HWRSBICXTNZBPN-UHFFFAOYSA-N 1 0 376.424 1.206 20 0 GDADRO OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738395631 599011281 /nfs/dbraw/zinc/01/12/81/599011281.db2.gz XQPGLRUBZKMINK-UXHICEINSA-N 1 0 378.480 1.839 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)C1CC1 ZINC000735635492 599052076 /nfs/dbraw/zinc/05/20/76/599052076.db2.gz DUHLLQTULSFOAI-OAHLLOKOSA-N 1 0 398.471 1.907 20 0 GDADRO C[C@H](O)C[N@H+](C)C1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736143828 599053438 /nfs/dbraw/zinc/05/34/38/599053438.db2.gz LJFQWZVMRXGFPC-JTQLQIEISA-N 1 0 385.394 1.562 20 0 GDADRO CC[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](C)O ZINC000736407142 599053908 /nfs/dbraw/zinc/05/39/08/599053908.db2.gz NODNEPUQUFAXKB-QWRGUYRKSA-N 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381.440 1.869 20 0 GDADRO Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000737777311 598434166 /nfs/dbraw/zinc/43/41/66/598434166.db2.gz UDANNKSQYQOCOK-UHFFFAOYSA-N 1 0 395.471 1.240 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000737288106 598485483 /nfs/dbraw/zinc/48/54/83/598485483.db2.gz IBHBTABSCRNPMK-OKILXGFUSA-N 1 0 385.472 1.493 20 0 GDADRO CCc1ccc([C@@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N(C)C)cc1 ZINC000736683687 598517690 /nfs/dbraw/zinc/51/76/90/598517690.db2.gz FKWMLSLUJSAURP-MAUKXSAKSA-N 1 0 395.515 1.560 20 0 GDADRO COc1cccc([C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N(C)C)c1 ZINC000737124298 598517826 /nfs/dbraw/zinc/51/78/26/598517826.db2.gz BQGNXYWWBAKUMS-CXAGYDPISA-N 1 0 397.487 1.006 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(-n2cncn2)cc1 ZINC000736137841 598518372 /nfs/dbraw/zinc/51/83/72/598518372.db2.gz YNNHUVMXCJSEFP-QWHCGFSZSA-N 1 0 391.443 1.036 20 0 GDADRO 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606115901 /nfs/dbraw/zinc/11/59/01/606115901.db2.gz LQASGYSXMNPEIV-CQSZACIVSA-N 1 0 398.471 1.665 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2nn(C)cc2-c2nn[nH]n2)C1 ZINC000820648650 606159724 /nfs/dbraw/zinc/15/97/24/606159724.db2.gz DUYHEKNYDCIWDW-BETUJISGSA-N 1 0 375.481 1.480 20 0 GDADRO c1sc(C[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)cc1-c1nn[nH]n1 ZINC000823780779 606218740 /nfs/dbraw/zinc/21/87/40/606218740.db2.gz WEJCAEOVIXTCDL-KRWDZBQOSA-N 1 0 384.509 1.961 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@H](C)C1 ZINC000820769718 606222614 /nfs/dbraw/zinc/22/26/14/606222614.db2.gz WBKZCFRMMBJWHC-BXUZGUMPSA-N 1 0 384.531 1.466 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820994300 606223484 /nfs/dbraw/zinc/22/34/84/606223484.db2.gz GNUVVWILYQQXAU-DOMZBBRYSA-N 1 0 398.558 1.857 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)cn2C)[C@@H](C)C1 ZINC000821378677 606254101 /nfs/dbraw/zinc/25/41/01/606254101.db2.gz 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HELFRYRYQPGTJE-SFHVURJKSA-N 1 0 384.532 1.824 20 0 GDADRO C[C@H](O)C[NH+]1CCC(CN(C)c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC1 ZINC000824707316 608284281 /nfs/dbraw/zinc/28/42/81/608284281.db2.gz PVSPOKCKNQLAQP-AWEZNQCLSA-N 1 0 385.516 1.670 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)CC2)C1 ZINC000826029429 608288032 /nfs/dbraw/zinc/28/80/32/608288032.db2.gz SAYILEZVIQGFOF-MRXNPFEDSA-N 1 0 382.516 1.357 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1cn2ccsc2n1 ZINC000530433034 649975043 /nfs/dbraw/zinc/97/50/43/649975043.db2.gz SWHRDAAKQMBFLA-UHFFFAOYSA-N 1 0 382.515 1.249 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826028675 608333669 /nfs/dbraw/zinc/33/36/69/608333669.db2.gz FRPNJGZKSSMYQN-LBPRGKRZSA-N 1 0 382.465 1.109 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000826255273 608342785 /nfs/dbraw/zinc/34/27/85/608342785.db2.gz RCEBAFFSUUCRPF-UHFFFAOYSA-N 1 0 392.529 1.918 20 0 GDADRO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1Cc1cccc(-c2nn[nH]n2)c1F ZINC000825210054 608391686 /nfs/dbraw/zinc/39/16/86/608391686.db2.gz FDHSKIKTPZQROU-MRXNPFEDSA-N 1 0 384.463 1.799 20 0 GDADRO CC(C)(C)Oc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)n1 ZINC000824124249 608450594 /nfs/dbraw/zinc/45/05/94/608450594.db2.gz RJQYUSMNQUVGOR-LBPRGKRZSA-N 1 0 383.460 1.467 20 0 GDADRO C[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554504 608463698 /nfs/dbraw/zinc/46/36/98/608463698.db2.gz PWBJKXCYFIIXBO-INIZCTEOSA-N 1 0 391.479 1.866 20 0 GDADRO CN(C)C(=O)C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825841505 608473418 /nfs/dbraw/zinc/47/34/18/608473418.db2.gz XJIBGWLEZOGXNE-QZTJIDSGSA-N 1 0 380.452 1.709 20 0 GDADRO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823967816 608480148 /nfs/dbraw/zinc/48/01/48/608480148.db2.gz POCNIJOAAFENRC-KUHUBIRLSA-N 1 0 392.463 1.834 20 0 GDADRO C[C@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824555593 608490585 /nfs/dbraw/zinc/49/05/85/608490585.db2.gz XYPMSUTWULYHJX-LBPRGKRZSA-N 1 0 377.408 1.503 20 0 GDADRO c1ncn(-c2ccc(C[NH+]3CCN(c4ncccc4-c4nn[nH]n4)CC3)cc2)n1 ZINC000826525643 608509909 /nfs/dbraw/zinc/50/99/09/608509909.db2.gz SHSHOSIMKRFWKZ-UHFFFAOYSA-N 1 0 388.439 1.165 20 0 GDADRO O=C(C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826412206 608526724 /nfs/dbraw/zinc/52/67/24/608526724.db2.gz GMDCDEKXCVGIJA-AZUAARDMSA-N 1 0 392.463 1.850 20 0 GDADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825981433 608530800 /nfs/dbraw/zinc/53/08/00/608530800.db2.gz SBUFGMYHCLRLPI-IBGZPJMESA-N 1 0 378.480 1.938 20 0 GDADRO CCCCN(C)C(=O)C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825282141 608611116 /nfs/dbraw/zinc/61/11/16/608611116.db2.gz OIKHSQWQLCESDF-UHFFFAOYSA-N 1 0 396.499 1.985 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000825856562 608625499 /nfs/dbraw/zinc/62/54/99/608625499.db2.gz XAVKILLYAAPXPE-UHFFFAOYSA-N 1 0 389.504 1.376 20 0 GDADRO Cc1ccc(N2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)nn1 ZINC000826290227 608683678 /nfs/dbraw/zinc/68/36/78/608683678.db2.gz GBPAKAJNTCYVCF-UHFFFAOYSA-N 1 0 390.455 1.325 20 0 GDADRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825918560 608716822 /nfs/dbraw/zinc/71/68/22/608716822.db2.gz HHKUQQGJOYASCD-UHFFFAOYSA-N 1 0 386.460 1.861 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000824999981 608834379 /nfs/dbraw/zinc/83/43/79/608834379.db2.gz LVAAHQXRWJPSLI-GFCCVEGCSA-N 1 0 376.428 1.244 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824893843 608846859 /nfs/dbraw/zinc/84/68/59/608846859.db2.gz VMNWHCXRYUTYMF-RHSMWYFYSA-N 1 0 387.488 1.507 20 0 GDADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)cn1 ZINC000826359857 608858432 /nfs/dbraw/zinc/85/84/32/608858432.db2.gz RRIILDGUGURYFT-DOTOQJQBSA-N 1 0 393.455 1.336 20 0 GDADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577493 609139566 /nfs/dbraw/zinc/13/95/66/609139566.db2.gz LAUQOXWQUBSVNP-NSHDSACASA-N 1 0 382.465 1.328 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000826175861 609140904 /nfs/dbraw/zinc/14/09/04/609140904.db2.gz SSNKWKSYKCBHAY-UHFFFAOYSA-N 1 0 384.444 1.242 20 0 GDADRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547920 609142156 /nfs/dbraw/zinc/14/21/56/609142156.db2.gz UJEGYFLNRWTSDE-GFCCVEGCSA-N 1 0 375.452 1.209 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccc(C)cc2)c1-c1nn[nH]n1 ZINC000826073269 609143058 /nfs/dbraw/zinc/14/30/58/609143058.db2.gz MEJXNWFJALVULF-UHFFFAOYSA-N 1 0 390.398 1.781 20 0 GDADRO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258511 609157022 /nfs/dbraw/zinc/15/70/22/609157022.db2.gz NJOPEXFMPMGETK-KRWDZBQOSA-N 1 0 382.472 1.677 20 0 GDADRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826334061 609169643 /nfs/dbraw/zinc/16/96/43/609169643.db2.gz GILRMFOMPOBGKO-SJCJKPOMSA-N 1 0 380.456 1.755 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)cs1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826470423 609170873 /nfs/dbraw/zinc/17/08/73/609170873.db2.gz PNBKPCVRFDFEIC-UHFFFAOYSA-N 1 0 390.513 1.893 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(-n2cncn2)cc1 ZINC000824562045 609180394 /nfs/dbraw/zinc/18/03/94/609180394.db2.gz CCGIKEGKIXSAQR-NSHDSACASA-N 1 0 395.452 1.798 20 0 GDADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826434023 609185509 /nfs/dbraw/zinc/18/55/09/609185509.db2.gz ZQQSNRLBCFVWQF-DOTOQJQBSA-N 1 0 382.424 1.446 20 0 GDADRO C[NH+]1CCN(c2ccccc2NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826045473 609190594 /nfs/dbraw/zinc/19/05/94/609190594.db2.gz WKOMMROLWNHCMQ-SFHVURJKSA-N 1 0 393.451 1.291 20 0 GDADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)C[C@@H](C)O1 ZINC000824984811 609194524 /nfs/dbraw/zinc/19/45/24/609194524.db2.gz NYEZPTFCEQOZHJ-ZIAGYGMSSA-N 1 0 395.467 1.734 20 0 GDADRO Cn1cc(C[N@H+](C)CCc2cnccn2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825950285 609200569 /nfs/dbraw/zinc/20/05/69/609200569.db2.gz MHXIKFCDPRWOLY-UHFFFAOYSA-N 1 0 375.440 1.732 20 0 GDADRO C[NH+](C)CCOc1cccc(CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825870460 609221041 /nfs/dbraw/zinc/22/10/41/609221041.db2.gz NETJDEICYSWGLI-GOSISDBHSA-N 1 0 396.451 1.157 20 0 GDADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826298505 609222672 /nfs/dbraw/zinc/22/26/72/609222672.db2.gz WHJXUSKSJAWMLL-IBGZPJMESA-N 1 0 394.479 1.799 20 0 GDADRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824536921 609239822 /nfs/dbraw/zinc/23/98/22/609239822.db2.gz AFEDHDUPJZQWJK-XMZIXOGTSA-N 1 0 384.419 1.584 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C(=O)N1c1cnn(C)c1 ZINC000824893417 609240424 /nfs/dbraw/zinc/24/04/24/609240424.db2.gz QRKWOJVVVSCZNB-NXOUGTEYSA-N 1 0 392.467 1.761 20 0 GDADRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)n(C)n1 ZINC000826269374 609241144 /nfs/dbraw/zinc/24/11/44/609241144.db2.gz JRJOFHPUZMNGLX-BLLLJJGKSA-N 1 0 398.446 1.894 20 0 GDADRO C[C@H](CCNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000824400952 609241924 /nfs/dbraw/zinc/24/19/24/609241924.db2.gz NDCGYZMLXFDVHN-BEFAXECRSA-N 1 0 394.479 1.927 20 0 GDADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000825459443 609299530 /nfs/dbraw/zinc/29/95/30/609299530.db2.gz KPHHJNGVSQHRRT-UHFFFAOYSA-N 1 0 391.907 1.668 20 0 GDADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546907 609334242 /nfs/dbraw/zinc/33/42/42/609334242.db2.gz LQMQKKMAGBRNLU-LBPRGKRZSA-N 1 0 396.492 1.165 20 0 GDADRO CCn1cnnc1CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825804539 609339366 /nfs/dbraw/zinc/33/93/66/609339366.db2.gz DCICALJRGBZZCB-UHFFFAOYSA-N 1 0 378.444 1.211 20 0 GDADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826059890 609342660 /nfs/dbraw/zinc/34/26/60/609342660.db2.gz BUYSRUJWVCASBB-HOTGVXAUSA-N 1 0 380.456 1.272 20 0 GDADRO COCC[N@@H+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1C ZINC000826159573 609362506 /nfs/dbraw/zinc/36/25/06/609362506.db2.gz KGMGPOFVWJBENA-LBPRGKRZSA-N 1 0 395.305 1.782 20 0 GDADRO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C[C@@H]1CCCC[C@H]1O ZINC000825892837 609375932 /nfs/dbraw/zinc/37/59/32/609375932.db2.gz VNPRBAQMFCMSNL-XHDPSFHLSA-N 1 0 378.864 1.942 20 0 GDADRO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[C@@H](C)C1 ZINC000823972545 609416436 /nfs/dbraw/zinc/41/64/36/609416436.db2.gz CDXLPVVLSYPODJ-KKXDTOCCSA-N 1 0 397.483 1.209 20 0 GDADRO CCC(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825034986 609416707 /nfs/dbraw/zinc/41/67/07/609416707.db2.gz VIODULHERQAARB-KRWDZBQOSA-N 1 0 397.483 1.353 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826443203 609417303 /nfs/dbraw/zinc/41/73/03/609417303.db2.gz FVDFYFYCCGSLLY-GOSISDBHSA-N 1 0 378.436 1.363 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H]1CCc2ccccc2C1 ZINC000825000174 609420481 /nfs/dbraw/zinc/42/04/81/609420481.db2.gz NQFLXPCNTGDDFW-HZPDHXFCSA-N 1 0 390.495 1.972 20 0 GDADRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](CO)C(C)C)c1-c1nn[nH]n1 ZINC000826233445 609440692 /nfs/dbraw/zinc/44/06/92/609440692.db2.gz HNPPYQPQDSKVIT-MRXNPFEDSA-N 1 0 397.483 1.819 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826429520 609497626 /nfs/dbraw/zinc/49/76/26/609497626.db2.gz FZESPJAIWDPBSF-HYVNUMGLSA-N 1 0 377.452 1.835 20 0 GDADRO [NH2+]=C(NOCc1cccc(-c2nn[nH]n2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000826388475 609500426 /nfs/dbraw/zinc/50/04/26/609500426.db2.gz ALEHBRHKKZUUBS-SFHVURJKSA-N 1 0 393.451 1.766 20 0 GDADRO Cc1ccnc(NCCN2CC[NH+](Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826313693 609521669 /nfs/dbraw/zinc/52/16/69/609521669.db2.gz QGCSDEZEWIADLI-UHFFFAOYSA-N 1 0 378.484 1.800 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000824947156 609538496 /nfs/dbraw/zinc/53/84/96/609538496.db2.gz MVGHKVIROPQKQK-LLVKDONJSA-N 1 0 384.893 1.530 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1Cl)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000826494027 609546669 /nfs/dbraw/zinc/54/66/69/609546669.db2.gz MCNRCEPZXBXNCD-ZDUSSCGKSA-N 1 0 396.904 1.769 20 0 GDADRO COc1cc[nH+]c(N2CCN(c3ncc(Cl)c(C)c3-c3nn[nH]n3)CC2)c1 ZINC000826221066 609548538 /nfs/dbraw/zinc/54/85/38/609548538.db2.gz NJCNIKZZOJDKHE-UHFFFAOYSA-N 1 0 386.847 1.954 20 0 GDADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000824974768 609551451 /nfs/dbraw/zinc/55/14/51/609551451.db2.gz FRJDJEDFUQUYGN-GXFFZTMASA-N 1 0 384.893 1.527 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000825301669 609552316 /nfs/dbraw/zinc/55/23/16/609552316.db2.gz OKMPSBZVUIRLEI-LBPRGKRZSA-N 1 0 398.920 1.873 20 0 GDADRO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258700 609553806 /nfs/dbraw/zinc/55/38/06/609553806.db2.gz SVAUMIYIKRPMPH-MRXNPFEDSA-N 1 0 378.440 1.281 20 0 GDADRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C1 ZINC000825444459 609574216 /nfs/dbraw/zinc/57/42/16/609574216.db2.gz NTQUVEVJKOCMAT-PXAZEXFGSA-N 1 0 380.456 1.431 20 0 GDADRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)n1 ZINC000826291360 609601745 /nfs/dbraw/zinc/60/17/45/609601745.db2.gz BPSVBQUHLGWEPD-HNNXBMFYSA-N 1 0 379.424 1.561 20 0 GDADRO Cc1c(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cccc1-c1nn[nH]n1 ZINC000826241178 609621517 /nfs/dbraw/zinc/62/15/17/609621517.db2.gz UDNYPRLRXWGJRF-UHFFFAOYSA-N 1 0 389.379 1.333 20 0 GDADRO O=C(NCc1n[nH]cc1Br)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000532652983 650029918 /nfs/dbraw/zinc/02/99/18/650029918.db2.gz YNHBMLIESNWPQN-KGLIPLIRSA-N 1 0 386.294 1.349 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000533262391 650047730 /nfs/dbraw/zinc/04/77/30/650047730.db2.gz YMYHNGUYJCCAEK-ZDUSSCGKSA-N 1 0 386.543 1.179 20 0 GDADRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533409448 650051615 /nfs/dbraw/zinc/05/16/15/650051615.db2.gz YHLZJMDMNHTYBT-CYBMUJFWSA-N 1 0 379.258 1.687 20 0 GDADRO COc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cc(Br)c1O ZINC000536637899 650274676 /nfs/dbraw/zinc/27/46/76/650274676.db2.gz JUQJPOLFSXDIHH-SNVBAGLBSA-N 1 0 380.260 1.067 20 0 GDADRO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000536854399 650281877 /nfs/dbraw/zinc/28/18/77/650281877.db2.gz WTAZHUFHHOKYKE-CQSZACIVSA-N 1 0 388.555 1.802 20 0 GDADRO CS[C@H]1CN(CC(=O)N2CCN(Cc3cccs3)CC2)C[C@@H]1[NH+](C)C ZINC000537288947 650288399 /nfs/dbraw/zinc/28/83/99/650288399.db2.gz CHFXQYDDRIHYIZ-IRXDYDNUSA-N 1 0 382.599 1.370 20 0 GDADRO O=S1(=O)CCO[C@@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000539771631 650340162 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CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415423505 645894208 /nfs/dbraw/zinc/89/42/08/645894208.db2.gz FYVVEHFKOVEQER-LBPRGKRZSA-N 1 0 386.265 1.967 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418091954 645908452 /nfs/dbraw/zinc/90/84/52/645908452.db2.gz QMIYFFWTGIFLTD-HIFRSBDPSA-N 1 0 395.301 1.948 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418095844 645908839 /nfs/dbraw/zinc/90/88/39/645908839.db2.gz WIIGIFQLRZFPLB-RHSMWYFYSA-N 1 0 395.301 1.935 20 0 GDADRO O[C@@H](C[NH2+]Cc1ccc(F)cc1I)Cn1ccnn1 ZINC000418095887 645908932 /nfs/dbraw/zinc/90/89/32/645908932.db2.gz WKEATECFIXKONR-NSHDSACASA-N 1 0 376.173 1.173 20 0 GDADRO COCC[NH2+]CCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418096905 645909354 /nfs/dbraw/zinc/90/93/54/645909354.db2.gz XTBDIIKRPOGQPG-CQSZACIVSA-N 1 0 399.289 1.090 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000419068941 645911059 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1.092 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)[C@@H](C)C[NH2+]1 ZINC000419461714 645919123 /nfs/dbraw/zinc/91/91/23/645919123.db2.gz LRSXGPXFFWBPIU-STQMWFEESA-N 1 0 394.313 1.806 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419484241 645920310 /nfs/dbraw/zinc/92/03/10/645920310.db2.gz WMCUQIFMXLJDCV-YMTOWFKASA-N 1 0 386.265 1.489 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)NCCc1cc(Cl)ccc1Br)C1CC1 ZINC000419507487 645921326 /nfs/dbraw/zinc/92/13/26/645921326.db2.gz YIALDNAATJIDNS-CYBMUJFWSA-N 1 0 388.693 1.615 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC1=CC[NH2+]CC1)c1cccc(Br)c1 ZINC000419501386 645921355 /nfs/dbraw/zinc/92/13/55/645921355.db2.gz BETFWUXVAMJJSJ-UHFFFAOYSA-N 1 0 394.313 1.879 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419513792 645922001 /nfs/dbraw/zinc/92/20/01/645922001.db2.gz GCGYNYPTMZFHMM-VXGBXAGGSA-N 1 0 388.295 1.789 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000419522462 645922454 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C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)Oc1ccccc1Br ZINC000419607448 645924594 /nfs/dbraw/zinc/92/45/94/645924594.db2.gz HBHDCVHLKNHFEI-UPJWGTAASA-N 1 0 398.301 1.576 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000419608647 645925006 /nfs/dbraw/zinc/92/50/06/645925006.db2.gz IGNBLTKAOFFZIV-QWHCGFSZSA-N 1 0 398.301 1.448 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000419644590 645926322 /nfs/dbraw/zinc/92/63/22/645926322.db2.gz XNOROODSZKTTPE-RISCZKNCSA-N 1 0 386.290 1.367 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419646582 645926823 /nfs/dbraw/zinc/92/68/23/645926823.db2.gz ZDVATPOLCWGHDT-SWHYSGLUSA-N 1 0 384.274 1.201 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419746504 645930253 /nfs/dbraw/zinc/93/02/53/645930253.db2.gz LTAGGHHVGJFRAZ-OAHLLOKOSA-N 1 0 382.302 1.742 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000419869137 645932622 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CC(C)Cc1ncnc(NC[C@@H]2C[NH2+]CCN2C)c1I ZINC000420273152 645939603 /nfs/dbraw/zinc/93/96/03/645939603.db2.gz LSAYTIUKVHRHMS-NSHDSACASA-N 1 0 389.285 1.595 20 0 GDADRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@@H](C)C[NH2+]1 ZINC000420393535 645942537 /nfs/dbraw/zinc/94/25/37/645942537.db2.gz JWGBWIPEVYPVPH-NEPJUHHUSA-N 1 0 388.921 1.211 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1OC ZINC000420478491 645944732 /nfs/dbraw/zinc/94/47/32/645944732.db2.gz LOBFGVPSZANBGJ-MNOVXSKESA-N 1 0 389.905 1.314 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420719240 645954370 /nfs/dbraw/zinc/95/43/70/645954370.db2.gz AHFQWRLFHLFTDC-UHFFFAOYSA-N 1 0 389.543 1.088 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000570928350 651060893 /nfs/dbraw/zinc/06/08/93/651060893.db2.gz GICNNWGYALPCNZ-MNOVXSKESA-N 1 0 381.420 1.616 20 0 GDADRO CC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000420962060 645976109 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GDADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C[C@@H]1C[NH3+] ZINC000422553891 646077938 /nfs/dbraw/zinc/07/79/38/646077938.db2.gz LAKIAPLMBYKGTP-UTUOFQBUSA-N 1 0 393.506 1.191 20 0 GDADRO O=C(NCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1)c1ccc(Br)cc1 ZINC000422734517 646098794 /nfs/dbraw/zinc/09/87/94/646098794.db2.gz TYMSPHZYOZKSRY-HZPDHXFCSA-N 1 0 382.302 1.536 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NCC1(n2cc(Br)cn2)CC1 ZINC000916842585 660202583 /nfs/dbraw/zinc/20/25/83/660202583.db2.gz OJMRYLCOPQGKRJ-KBPBESRZSA-N 1 0 398.305 1.297 20 0 GDADRO COC[C@]1(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CC[NH2+]C1 ZINC000422930234 646100426 /nfs/dbraw/zinc/10/04/26/646100426.db2.gz SNPVGHRMZFCHKI-KRWDZBQOSA-N 1 0 398.301 1.781 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@H](C)[NH3+] ZINC000422945890 646102023 /nfs/dbraw/zinc/10/20/23/646102023.db2.gz VPDNILKKBVRTLQ-BBRMVZONSA-N 1 0 387.933 1.792 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000422993770 646106239 /nfs/dbraw/zinc/10/62/39/646106239.db2.gz GENCEVVHWYKEMR-UHFFFAOYSA-N 1 0 382.302 1.866 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000422992248 646106294 /nfs/dbraw/zinc/10/62/94/646106294.db2.gz QXJNXMPLPJWUHN-CYBMUJFWSA-N 1 0 382.302 1.866 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000422993681 646106302 /nfs/dbraw/zinc/10/63/02/646106302.db2.gz TXYLNGNMEHAVSM-QGZVFWFLSA-N 1 0 380.286 1.762 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000422997890 646106940 /nfs/dbraw/zinc/10/69/40/646106940.db2.gz OZMKNXJCHOAJJM-QGZVFWFLSA-N 1 0 380.286 1.620 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000916909106 660203276 /nfs/dbraw/zinc/20/32/76/660203276.db2.gz XZSXJNXGDMJLOQ-UHFFFAOYSA-N 1 0 391.287 1.607 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C[C@H](C)[NH2+]1 ZINC000423020916 646109491 /nfs/dbraw/zinc/10/94/91/646109491.db2.gz DDXDDTYKZQZVQC-STQMWFEESA-N 1 0 384.933 1.255 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000423070332 646110918 /nfs/dbraw/zinc/11/09/18/646110918.db2.gz COYJLZRCPLIQMI-DAXOMENPSA-N 1 0 385.302 1.483 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423073976 646111566 /nfs/dbraw/zinc/11/15/66/646111566.db2.gz KGJXILVCXMPWPB-UKRRQHHQSA-N 1 0 380.286 1.618 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423073977 646111698 /nfs/dbraw/zinc/11/16/98/646111698.db2.gz KGJXILVCXMPWPB-ZFWWWQNUSA-N 1 0 380.286 1.618 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423096321 646113124 /nfs/dbraw/zinc/11/31/24/646113124.db2.gz HIMLWOZZEVSUAH-LSDHHAIUSA-N 1 0 394.313 1.866 20 0 GDADRO O=C(COC1CC[NH2+]CC1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000423119034 646115161 /nfs/dbraw/zinc/11/51/61/646115161.db2.gz CUELBLQYJSXQER-UHFFFAOYSA-N 1 0 398.301 1.454 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000423151740 646116365 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GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)nc3F)C[C@@H]2C1 ZINC000916660219 660198027 /nfs/dbraw/zinc/19/80/27/660198027.db2.gz HVBMPMUYKRCODU-ZJUUUORDSA-N 1 0 378.267 1.555 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)c(F)c2)CC[C@@H]1[NH3+] ZINC000423513824 646126018 /nfs/dbraw/zinc/12/60/18/646126018.db2.gz ROQVSDOFIFYPNQ-YGRLFVJLSA-N 1 0 386.265 1.742 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423505455 646126025 /nfs/dbraw/zinc/12/60/25/646126025.db2.gz LOELWEOBJCSIAO-QGZVFWFLSA-N 1 0 398.276 1.901 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)s2)C1 ZINC000423562948 646130251 /nfs/dbraw/zinc/13/02/51/646130251.db2.gz HKPAQECELGYQCS-QWRGUYRKSA-N 1 0 386.315 1.994 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)s2)C1 ZINC000423570101 646131574 /nfs/dbraw/zinc/13/15/74/646131574.db2.gz NDNKBBAFSKSVAN-MNOVXSKESA-N 1 0 386.315 1.981 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423577246 646132084 /nfs/dbraw/zinc/13/20/84/646132084.db2.gz GWWGFXXLPRQXGC-CYBMUJFWSA-N 1 0 380.286 1.544 20 0 GDADRO O=C(C(=O)N1CCSC[C@@H]1c1nccs1)N1CCC2(C1)CC[NH2+]CC2 ZINC000423574593 646132110 /nfs/dbraw/zinc/13/21/10/646132110.db2.gz TZIOAWSJPDGTGB-CYBMUJFWSA-N 1 0 380.539 1.362 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423580642 646133203 /nfs/dbraw/zinc/13/32/03/646133203.db2.gz STXPEFRKDMCFTQ-QWHCGFSZSA-N 1 0 380.286 1.672 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Br)C1 ZINC000423581949 646133924 /nfs/dbraw/zinc/13/39/24/646133924.db2.gz WJJAYMWQSDXVMV-MNOVXSKESA-N 1 0 386.265 1.742 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423594942 646135191 /nfs/dbraw/zinc/13/51/91/646135191.db2.gz KOYUOQIOZAGQON-OLZOCXBDSA-N 1 0 382.302 1.993 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CC[NH2+]1 ZINC000423598035 646135804 /nfs/dbraw/zinc/13/58/04/646135804.db2.gz VGPXGQVCNDGAIP-SMDDNHRTSA-N 1 0 381.274 1.328 20 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C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000512438130 648405585 /nfs/dbraw/zinc/40/55/85/648405585.db2.gz AGMAUGRKONETRT-PVAVHDDUSA-N 1 0 399.329 1.984 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512460851 648406877 /nfs/dbraw/zinc/40/68/77/648406877.db2.gz WTMBPVKUEWBSSK-NWDGAFQWSA-N 1 0 387.527 1.861 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000513565224 648435116 /nfs/dbraw/zinc/43/51/16/648435116.db2.gz FQQRGFOVVWZJQG-AWEZNQCLSA-N 1 0 379.507 1.790 20 0 GDADRO C[NH+](C)CCCCC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000515201573 648485279 /nfs/dbraw/zinc/48/52/79/648485279.db2.gz FGRPVVDXQNNBIG-UHFFFAOYSA-N 1 0 379.885 1.606 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000515223268 648486284 /nfs/dbraw/zinc/48/62/84/648486284.db2.gz IUUXECMVKJKNAW-LSDHHAIUSA-N 1 0 380.286 1.537 20 0 GDADRO COCC[NH2+]CC(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000515299067 648488222 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Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000571432748 651077346 /nfs/dbraw/zinc/07/73/46/651077346.db2.gz RSNBZBBFQLODRY-GXSJLCMTSA-N 1 0 389.315 1.970 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000571658173 651080516 /nfs/dbraw/zinc/08/05/16/651080516.db2.gz GCGDJDSQCBAPSK-UHFFFAOYSA-N 1 0 381.274 1.396 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000571862873 651084923 /nfs/dbraw/zinc/08/49/23/651084923.db2.gz XEWVPOIUVITIAD-SNVBAGLBSA-N 1 0 387.221 1.427 20 0 GDADRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1cc(F)c(Br)cc1F ZINC000572224728 651092388 /nfs/dbraw/zinc/09/23/88/651092388.db2.gz LPXJORFJGSWNIF-UHFFFAOYSA-N 1 0 377.189 1.281 20 0 GDADRO CN(C(=O)COC1CCC([NH3+])CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000572287940 651094043 /nfs/dbraw/zinc/09/40/43/651094043.db2.gz XAECASKGDXKXJS-XUJLQICISA-N 1 0 398.301 1.720 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(CCC(=O)Nc3ccccc3Br)CCN2C1=O ZINC000572379633 651095668 /nfs/dbraw/zinc/09/56/68/651095668.db2.gz 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Cc1sc2ncn(CCC(=O)NCC[NH+]3CCSCC3)c(=O)c2c1C ZINC000602184490 652623081 /nfs/dbraw/zinc/62/30/81/652623081.db2.gz CHZMSISLKJCQBJ-UHFFFAOYSA-N 1 0 380.539 1.630 20 0 GDADRO COC(=O)c1sc(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)nc1C(C)(C)C ZINC000602462294 652637786 /nfs/dbraw/zinc/63/77/86/652637786.db2.gz LVVMXVLGCLNYFQ-RUZDIDTESA-N 1 0 387.527 1.666 20 0 GDADRO CCOC(=O)c1sc([C@@H](C)NC(=O)C2([S@](C)=O)CC[NH2+]CC2)nc1C ZINC000602463847 652638050 /nfs/dbraw/zinc/63/80/50/652638050.db2.gz XINGXZPMNCGUGI-NDHGSNPTSA-N 1 0 387.527 1.306 20 0 GDADRO C[S@@](=O)C1(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC[NH2+]CC1 ZINC000602467693 652638468 /nfs/dbraw/zinc/63/84/68/652638468.db2.gz YLLHFIMSIFXEIL-DLUDVSRJSA-N 1 0 383.901 1.062 20 0 GDADRO CN(CCOCC[NH3+])C(=O)COc1ccc(I)cc1 ZINC000602561175 652641558 /nfs/dbraw/zinc/64/15/58/652641558.db2.gz WNICWBVVWUGOIE-UHFFFAOYSA-N 1 0 378.210 1.104 20 0 GDADRO COC(=O)[C@@H]1CN(Cc2cnn3cc(Br)cnc23)CC[N@H+](C)C1 ZINC000602693213 652645508 /nfs/dbraw/zinc/64/55/08/652645508.db2.gz CWSWJVITFCGDJV-LBPRGKRZSA-N 1 0 382.262 1.028 20 0 GDADRO C[C@H](CNC(=O)c1nn(C)cc1I)[NH+]1CCC(C)CC1 ZINC000602818849 652647477 /nfs/dbraw/zinc/64/74/77/652647477.db2.gz XFXSDWXOBFHHDW-LLVKDONJSA-N 1 0 390.269 1.875 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2nn(C)cc2I)C1 ZINC000602913228 652655736 /nfs/dbraw/zinc/65/57/36/652655736.db2.gz NBESSJLZSQCRSH-NSHDSACASA-N 1 0 390.269 1.829 20 0 GDADRO CSC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000602922552 652656216 /nfs/dbraw/zinc/65/62/16/652656216.db2.gz IQJCOAIDJPREML-CHWSQXEVSA-N 1 0 385.555 1.727 20 0 GDADRO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)NC(=O)NCC(F)(F)F ZINC000602923730 652656787 /nfs/dbraw/zinc/65/67/87/652656787.db2.gz DAAPNADTUJREBG-LLVKDONJSA-N 1 0 385.745 1.880 20 0 GDADRO COC[C@](C)(CO)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000602933886 652658520 /nfs/dbraw/zinc/65/85/20/652658520.db2.gz ZETHUFRPHQLAPS-ZDUSSCGKSA-N 1 0 378.210 1.217 20 0 GDADRO OCCCCC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602956437 652661572 /nfs/dbraw/zinc/66/15/72/652661572.db2.gz QAYFXYLPHFAUOS-UHFFFAOYSA-N 1 0 376.242 1.366 20 0 GDADRO Cn1cc(I)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000603059053 652674672 /nfs/dbraw/zinc/67/46/72/652674672.db2.gz LLRDJIJENYRKOQ-CQSZACIVSA-N 1 0 388.253 1.583 20 0 GDADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2nn(C)cc2I)CC1 ZINC000603067815 652676347 /nfs/dbraw/zinc/67/63/47/652676347.db2.gz VWCFNBRTJKXRPC-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO CCOC(=O)c1nc(N2CC[NH+](C(C)(C)CO)CC2)ccc1Br ZINC000603297965 652692747 /nfs/dbraw/zinc/69/27/47/652692747.db2.gz KOEOAMQXJPZQEQ-UHFFFAOYSA-N 1 0 386.290 1.914 20 0 GDADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000603432487 652718130 /nfs/dbraw/zinc/71/81/30/652718130.db2.gz QXSZZMMMNGEHDY-UHFFFAOYSA-N 1 0 375.210 1.473 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000606079845 652769393 /nfs/dbraw/zinc/76/93/93/652769393.db2.gz YZIBSPBGAWICKX-UHFFFAOYSA-N 1 0 378.654 1.727 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cc1Br ZINC000606115157 652770299 /nfs/dbraw/zinc/77/02/99/652770299.db2.gz BXXNMGDCSXUBEK-UHFFFAOYSA-N 1 0 384.274 1.854 20 0 GDADRO CCN1CC[NH+](CCCCNC(=O)NCc2n[nH]cc2Br)CC1 ZINC000606489621 652774763 /nfs/dbraw/zinc/77/47/63/652774763.db2.gz WCRXAJNWWAZKRO-UHFFFAOYSA-N 1 0 387.326 1.389 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC000606911592 652784133 /nfs/dbraw/zinc/78/41/33/652784133.db2.gz WEWWFWRIKIATTB-MRXNPFEDSA-N 1 0 379.869 1.883 20 0 GDADRO CN(CCCC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000607032860 652786107 /nfs/dbraw/zinc/78/61/07/652786107.db2.gz BWTJEBSVNOXILG-UHFFFAOYSA-N 1 0 375.922 1.761 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000607690078 652804614 /nfs/dbraw/zinc/80/46/14/652804614.db2.gz BAYTVVJVKAOBMT-AAEUAGOBSA-N 1 0 389.315 1.822 20 0 GDADRO C[N@H+](CCNS(=O)(=O)c1cccc(I)c1)C1CC1 ZINC000610084080 652871621 /nfs/dbraw/zinc/87/16/21/652871621.db2.gz HRDMIVYEXUHFIL-UHFFFAOYSA-N 1 0 380.251 1.664 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(CCNC(C)=O)cc2)C[C@@H]1[NH+](C)C ZINC000611243042 652912208 /nfs/dbraw/zinc/91/22/08/652912208.db2.gz UALOYYAQMMPNCK-IRXDYDNUSA-N 1 0 385.555 1.031 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)Cc3ccc(Br)cc3O)C2)CC1 ZINC000615272233 652962364 /nfs/dbraw/zinc/96/23/64/652962364.db2.gz BOGXAOROVPPKIL-UHFFFAOYSA-N 1 0 382.302 1.403 20 0 GDADRO C[NH+](C)CC1CN(C(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000615507177 652963447 /nfs/dbraw/zinc/96/34/47/652963447.db2.gz ZSGXVWYTTPQPFG-UHFFFAOYSA-N 1 0 379.404 1.711 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)C2([NH+](C)C)CC2)cc1Br ZINC000615973273 652966407 /nfs/dbraw/zinc/96/64/07/652966407.db2.gz RCUJGEATBKJVRB-CYBMUJFWSA-N 1 0 385.302 1.819 20 0 GDADRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000615983829 652966500 /nfs/dbraw/zinc/96/65/00/652966500.db2.gz FGIDGJWWSXDENX-LBPRGKRZSA-N 1 0 393.289 1.981 20 0 GDADRO Cc1cc(NC(=O)c2sccc2S(N)(=O)=O)ccc1OCC[NH+](C)C 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1.892 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CCO1 ZINC000620968022 652994660 /nfs/dbraw/zinc/99/46/60/652994660.db2.gz MAUITUPBWQBHFH-CQSZACIVSA-N 1 0 386.290 1.180 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621101839 652995419 /nfs/dbraw/zinc/99/54/19/652995419.db2.gz UTIZQTVLBDAXDO-HNNXBMFYSA-N 1 0 385.555 1.655 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC[NH2+]1 ZINC000621159440 652996347 /nfs/dbraw/zinc/99/63/47/652996347.db2.gz KZLWTNHHFHCEOT-ZDUSSCGKSA-N 1 0 379.262 1.495 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000621656320 652998413 /nfs/dbraw/zinc/99/84/13/652998413.db2.gz MFIFJHSQPYTQGY-NSHDSACASA-N 1 0 379.262 1.626 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000621656319 652998462 /nfs/dbraw/zinc/99/84/62/652998462.db2.gz MFIFJHSQPYTQGY-LLVKDONJSA-N 1 0 379.262 1.626 20 0 GDADRO CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)C[C@@H]1C ZINC000623021499 653003255 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GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624392533 653012136 /nfs/dbraw/zinc/01/21/36/653012136.db2.gz TXWHVDPEJSXCOP-JGVFFNPUSA-N 1 0 394.341 1.587 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)CCOCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000624392317 653012156 /nfs/dbraw/zinc/01/21/56/653012156.db2.gz OTQTWTHIEWEKOQ-GJZGRUSLSA-N 1 0 380.432 1.992 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000624392992 653012324 /nfs/dbraw/zinc/01/23/24/653012324.db2.gz GMCWXOWOCKMIKZ-WDEREUQCSA-N 1 0 391.287 1.639 20 0 GDADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCN2CCOC[C@@H]2C1 ZINC000625326063 653027591 /nfs/dbraw/zinc/02/75/91/653027591.db2.gz PUTYFMNQXNUOOC-GOEBONIOSA-N 1 0 380.286 1.719 20 0 GDADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000625423225 653034184 /nfs/dbraw/zinc/03/41/84/653034184.db2.gz VAQGSIHGOWDCNM-LBPRGKRZSA-N 1 0 378.491 1.239 20 0 GDADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)c1Br ZINC000626882623 653062601 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CCN(CC[NH3+])C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000627003328 653066424 /nfs/dbraw/zinc/06/64/24/653066424.db2.gz MSPUCUCWXBADTO-UHFFFAOYSA-N 1 0 385.306 1.776 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000627021445 653067214 /nfs/dbraw/zinc/06/72/14/653067214.db2.gz WBAZGDQSCUCLQK-RRFJBIMHSA-N 1 0 395.301 1.994 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000627224535 653069136 /nfs/dbraw/zinc/06/91/36/653069136.db2.gz MDQHXNFFPMFBSG-LLVKDONJSA-N 1 0 378.420 1.763 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000627244830 653069365 /nfs/dbraw/zinc/06/93/65/653069365.db2.gz RIMRDXWQMNZXQH-GDLCADMTSA-N 1 0 381.274 1.382 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000627328821 653072448 /nfs/dbraw/zinc/07/24/48/653072448.db2.gz PGEYCTIXJJIKKT-BXUZGUMPSA-N 1 0 388.295 1.883 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCc1ccccc1Br)C2 ZINC000627330539 653072491 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392.297 1.735 20 0 GDADRO COc1cc(Br)c(CNCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1O ZINC000628421519 653099857 /nfs/dbraw/zinc/09/98/57/653099857.db2.gz CMGAUTJZIVBAKU-ZDUSSCGKSA-N 1 0 386.290 1.593 20 0 GDADRO CO[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1Br ZINC000628585434 653109602 /nfs/dbraw/zinc/10/96/02/653109602.db2.gz DVLIFEHMHLOALX-GJZGRUSLSA-N 1 0 398.301 1.593 20 0 GDADRO CN(CCN1CC[NH2+]CC1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000629511274 653168105 /nfs/dbraw/zinc/16/81/05/653168105.db2.gz LYKRLMOHYGRIBI-MRXNPFEDSA-N 1 0 381.318 1.539 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000629528265 653168654 /nfs/dbraw/zinc/16/86/54/653168654.db2.gz UVXLOTQZTZUQLV-TVYUQYBPSA-N 1 0 376.320 1.888 20 0 GDADRO CCO[C@@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@H]1C[NH3+] ZINC000629550034 653171345 /nfs/dbraw/zinc/17/13/45/653171345.db2.gz WZLIUTUHYGTDRM-DAXOMENPSA-N 1 0 382.302 1.998 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000629804987 653183305 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C[NH+](C)C1CCN(CCNC(=O)COc2ccc(Br)cn2)CC1 ZINC000631624396 653240870 /nfs/dbraw/zinc/24/08/70/653240870.db2.gz FQAFDCWFTKIWSP-UHFFFAOYSA-N 1 0 385.306 1.365 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NCCC[NH+](C)C ZINC000631639311 653241351 /nfs/dbraw/zinc/24/13/51/653241351.db2.gz LAZOJIRXHSRZGG-UHFFFAOYSA-N 1 0 376.280 1.030 20 0 GDADRO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000631695925 653244343 /nfs/dbraw/zinc/24/43/43/653244343.db2.gz CQRGMCLPINKDNE-IUODEOHRSA-N 1 0 378.441 1.374 20 0 GDADRO O=C(COc1ccc(Br)cn1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000631801786 653255627 /nfs/dbraw/zinc/25/56/27/653255627.db2.gz SFSPJAREPBBSLH-AWEZNQCLSA-N 1 0 384.274 1.592 20 0 GDADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631900996 653265204 /nfs/dbraw/zinc/26/52/04/653265204.db2.gz OJQUUXFLSQZARJ-NSHDSACASA-N 1 0 378.376 1.426 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000631910680 653267550 /nfs/dbraw/zinc/26/75/50/653267550.db2.gz LFLRVGCESZRWCE-QGZVFWFLSA-N 1 0 387.933 1.166 20 0 GDADRO COC[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000631920529 653270875 /nfs/dbraw/zinc/27/08/75/653270875.db2.gz AZPRSYIFCVRXMK-KBPBESRZSA-N 1 0 382.404 1.301 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCc2cccc(Br)c2C1 ZINC000631920561 653271298 /nfs/dbraw/zinc/27/12/98/653271298.db2.gz BLKZWVPVEIQWFU-GFCCVEGCSA-N 1 0 375.288 1.125 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000631922917 653271663 /nfs/dbraw/zinc/27/16/63/653271663.db2.gz HUEJDELOSOWFHE-CQSZACIVSA-N 1 0 386.949 1.827 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631927137 653272962 /nfs/dbraw/zinc/27/29/62/653272962.db2.gz QVJBEZLWPLYFOW-UONOGXRCSA-N 1 0 391.331 1.678 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCc2ccc(F)c(Br)c2C1 ZINC000631953265 653278253 /nfs/dbraw/zinc/27/82/53/653278253.db2.gz GNEUPCBCCIFCIV-LLVKDONJSA-N 1 0 393.278 1.265 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1cc(F)c(Br)cc1F ZINC000631954743 653279116 /nfs/dbraw/zinc/27/91/16/653279116.db2.gz VKVOJKXMGVZURR-UHFFFAOYSA-N 1 0 398.273 1.746 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)cc1Cl ZINC000631980205 653284189 /nfs/dbraw/zinc/28/41/89/653284189.db2.gz ADHMAFIKFOTHEL-BMIGLBTASA-N 1 0 375.853 1.858 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000632057431 653297218 /nfs/dbraw/zinc/29/72/18/653297218.db2.gz DGQQRECCSUXOTQ-LBPRGKRZSA-N 1 0 380.436 1.791 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2SCCc3ccccc32)CC1 ZINC000632073659 653300793 /nfs/dbraw/zinc/30/07/93/653300793.db2.gz HRKDOKNJLJUIEA-SFHVURJKSA-N 1 0 383.583 1.574 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000632197887 653315570 /nfs/dbraw/zinc/31/55/70/653315570.db2.gz ZKLIJSGLROSCFT-MRXNPFEDSA-N 1 0 389.543 1.174 20 0 GDADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2c(C(F)(F)F)cnn2C)CCCO1 ZINC000632277954 653327678 /nfs/dbraw/zinc/32/76/78/653327678.db2.gz FAIRNDOACGYYSF-NSHDSACASA-N 1 0 384.424 1.218 20 0 GDADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CCCO1 ZINC000632277941 653327863 /nfs/dbraw/zinc/32/78/63/653327863.db2.gz DVRPMNYBFIZUID-GFCCVEGCSA-N 1 0 385.511 1.781 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cscc1Br ZINC000632340898 653341515 /nfs/dbraw/zinc/34/15/15/653341515.db2.gz RKGITQAIHJSOIM-UHFFFAOYSA-N 1 0 384.365 1.672 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC[N@@H+](C2CCC2)C1 ZINC000632361357 653345117 /nfs/dbraw/zinc/34/51/17/653345117.db2.gz XRAWEQNMMBJTLL-LLVKDONJSA-N 1 0 380.436 1.934 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1OC ZINC000632368829 653347315 /nfs/dbraw/zinc/34/73/15/653347315.db2.gz KGPWHLLWKLDSAO-GWCFXTLKSA-N 1 0 389.905 1.421 20 0 GDADRO C[NH+](C)CC1CN(S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)C1 ZINC000632382389 653349977 /nfs/dbraw/zinc/34/99/77/653349977.db2.gz OZHFJADHBSXSMM-UHFFFAOYSA-N 1 0 389.275 1.213 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)COc1ccc(Br)cn1 ZINC000632526953 653371200 /nfs/dbraw/zinc/37/12/00/653371200.db2.gz HRJHYRLIPJUOMF-CYBMUJFWSA-N 1 0 385.306 1.365 20 0 GDADRO O=c1[nH]c2ccc(S(=O)(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cc2s1 ZINC000632571008 653377324 /nfs/dbraw/zinc/37/73/24/653377324.db2.gz FHIUZFBRQPKRHW-GFCCVEGCSA-N 1 0 383.495 1.222 20 0 GDADRO Cn1ncc(Br)c1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000632643464 653391395 /nfs/dbraw/zinc/39/13/95/653391395.db2.gz NRIPLJDSEGSQKM-UHFFFAOYSA-N 1 0 387.303 1.723 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000632996268 653418285 /nfs/dbraw/zinc/41/82/85/653418285.db2.gz YFBKKIYKWPSYGS-QQDQCYIDSA-N 1 0 393.329 1.632 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(OC(C)C)c2)C1 ZINC000633000419 653418370 /nfs/dbraw/zinc/41/83/70/653418370.db2.gz HUWMQHLQJQMCLR-LBPRGKRZSA-N 1 0 384.274 1.995 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000633004551 653418882 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OC[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(Br)c(F)c1 ZINC000634721932 653497288 /nfs/dbraw/zinc/49/72/88/653497288.db2.gz HHFILAZQQWSJDN-WFASDCNBSA-N 1 0 392.265 1.504 20 0 GDADRO CC1(C)C[NH2+]CC[C@H](NC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000634764145 653498543 /nfs/dbraw/zinc/49/85/43/653498543.db2.gz MFXWYHJYDKLACR-ZDUSSCGKSA-N 1 0 387.933 1.903 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000636768335 653525250 /nfs/dbraw/zinc/52/52/50/653525250.db2.gz NCECPJGRFMRWKX-CVEARBPZSA-N 1 0 389.327 1.962 20 0 GDADRO Brc1cnc2c(C[N@@H+]3CCC[C@H]3CN3CCOCC3)cnn2c1 ZINC000637959679 653533187 /nfs/dbraw/zinc/53/31/87/653533187.db2.gz IRQNKMLDNJHBLW-HNNXBMFYSA-N 1 0 380.290 1.788 20 0 GDADRO [NH3+]C[C@@]1(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CCCOC1 ZINC000637968991 653533824 /nfs/dbraw/zinc/53/38/24/653533824.db2.gz HVXUNYZGFBBYOW-KRWDZBQOSA-N 1 0 398.301 1.441 20 0 GDADRO [NH3+]Cc1ncc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)cn1 ZINC000638110386 653536828 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GDADRO C[NH2+]CCOCCN(C)C(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC000638591215 653540979 /nfs/dbraw/zinc/54/09/79/653540979.db2.gz DPMJRKYRPBGICB-CQSZACIVSA-N 1 0 375.922 1.850 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000638591844 653540995 /nfs/dbraw/zinc/54/09/95/653540995.db2.gz NFLRXVYYCSHYKC-UHFFFAOYSA-N 1 0 387.274 1.457 20 0 GDADRO COC1(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]CC1 ZINC000638594672 653541079 /nfs/dbraw/zinc/54/10/79/653541079.db2.gz AQKCYHQFTLXAFN-CQSZACIVSA-N 1 0 396.285 1.439 20 0 GDADRO O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638597699 653541573 /nfs/dbraw/zinc/54/15/73/653541573.db2.gz ZRBUREGDXKVYRZ-CABCVRRESA-N 1 0 396.285 1.439 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@]2(O)CCSC2)cc1Br ZINC000638730550 653542556 /nfs/dbraw/zinc/54/25/56/653542556.db2.gz XOUYBTJPIUWKEX-GFCCVEGCSA-N 1 0 381.317 1.054 20 0 GDADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)C1([NH3+])CCOCC1 ZINC000638827430 653544201 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GDADRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000639305314 653549537 /nfs/dbraw/zinc/54/95/37/653549537.db2.gz OVQIHKHUEZCPLG-WCQYABFASA-N 1 0 383.290 1.611 20 0 GDADRO Cc1ncc(CNC(=O)CC[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)s1 ZINC000639455722 653550507 /nfs/dbraw/zinc/55/05/07/653550507.db2.gz UTLBYURCTJCJQF-AWEZNQCLSA-N 1 0 388.559 1.252 20 0 GDADRO C[N@H+](CCc1cccc2c1OC(F)(F)O2)C1CCN(S(C)(=O)=O)CC1 ZINC000639517094 653551229 /nfs/dbraw/zinc/55/12/29/653551229.db2.gz QSMCBTRDWQEXFA-UHFFFAOYSA-N 1 0 376.425 1.906 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639508216 653551380 /nfs/dbraw/zinc/55/13/80/653551380.db2.gz SZEFJFDJNCCIJU-RISCZKNCSA-N 1 0 397.324 1.734 20 0 GDADRO Cc1nn(C)c(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1Br ZINC000640171468 653556771 /nfs/dbraw/zinc/55/67/71/653556771.db2.gz VTXFXCNLEKASPA-LBPRGKRZSA-N 1 0 386.294 1.866 20 0 GDADRO [NH3+]C[C@H](O)CCc1cn(Cc2cc(Br)cc3cccnc32)nn1 ZINC000640949774 653561029 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C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000642777861 653579186 /nfs/dbraw/zinc/57/91/86/653579186.db2.gz SICVYVITMWCMJI-OCCSQVGLSA-N 1 0 398.301 1.591 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000642802142 653579438 /nfs/dbraw/zinc/57/94/38/653579438.db2.gz GZGITKUTDCKHMD-HNNXBMFYSA-N 1 0 386.315 1.729 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000642908579 653579710 /nfs/dbraw/zinc/57/97/10/653579710.db2.gz WWBDJVVJZUUPTL-SMDDNHRTSA-N 1 0 383.290 1.315 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000642919260 653579918 /nfs/dbraw/zinc/57/99/18/653579918.db2.gz UZRHMVMMACDOCA-HNNXBMFYSA-N 1 0 386.279 1.762 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000643485540 653583052 /nfs/dbraw/zinc/58/30/52/653583052.db2.gz CFEBKIALFLDBKF-UKRRQHHQSA-N 1 0 382.302 1.993 20 0 GDADRO O=C(C(=O)N1CCSC[C@@H]1c1nccs1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000643552814 653583499 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GDADRO CS(=O)(=O)NC1(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC000644515089 653599044 /nfs/dbraw/zinc/59/90/44/653599044.db2.gz IJROVELIEVXMPM-UHFFFAOYSA-N 1 0 392.518 1.441 20 0 GDADRO O=C1NCCC[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000644555679 653599246 /nfs/dbraw/zinc/59/92/46/653599246.db2.gz NFHLVFPUWUHBTN-NSHDSACASA-N 1 0 375.288 1.339 20 0 GDADRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C(=O)N1CCOCC1 ZINC000644586253 653599485 /nfs/dbraw/zinc/59/94/85/653599485.db2.gz ZXAPWAANTLSPCQ-BLLLJJGKSA-N 1 0 391.295 1.960 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644607595 653599585 /nfs/dbraw/zinc/59/95/85/653599585.db2.gz SICKETZEUZZWEV-VXGBXAGGSA-N 1 0 397.324 1.604 20 0 GDADRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1cc(Br)ccc1=O ZINC000644656563 653599965 /nfs/dbraw/zinc/59/99/65/653599965.db2.gz UKWXLBBTSUJWAD-KRWDZBQOSA-N 1 0 394.313 1.693 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(c3ncc(Br)cc3S(N)(=O)=O)C2)C1 ZINC000645048455 653601384 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ZINC000662752656 654301549 /nfs/dbraw/zinc/30/15/49/654301549.db2.gz SOWFVEXDAOGRLI-JTQLQIEISA-N 1 0 395.257 1.796 20 0 GDADRO C[C@]1(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC[NH2+]C1 ZINC000663015535 654318673 /nfs/dbraw/zinc/31/86/73/654318673.db2.gz VNOZCXMDDSZPCM-KRWDZBQOSA-N 1 0 393.285 1.388 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663013602 654318741 /nfs/dbraw/zinc/31/87/41/654318741.db2.gz OUQHEQHYLGUSGS-CQSZACIVSA-N 1 0 375.288 1.643 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000663309819 654332229 /nfs/dbraw/zinc/33/22/29/654332229.db2.gz DBFHTQVIHQYXRJ-SNVBAGLBSA-N 1 0 391.209 1.968 20 0 GDADRO COCC(COC)N1CCN(c2nnc3ccc(Br)cn32)CC1 ZINC000664009701 654364481 /nfs/dbraw/zinc/36/44/81/654364481.db2.gz BVCAVWJAEVPHQC-UHFFFAOYSA-N 1 0 384.278 1.275 20 0 GDADRO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000665385896 654405886 /nfs/dbraw/zinc/40/58/86/654405886.db2.gz LNHQBXNDXYJNFV-XJKSGUPXSA-N 1 0 387.933 1.921 20 0 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CCN(C(=O)C(=O)NCc1nc(C(F)(F)F)cs1)[C@H]1CC[N@H+](CC)C1 ZINC000669043277 654497490 /nfs/dbraw/zinc/49/74/90/654497490.db2.gz FAMLRRAZUGPLDH-JTQLQIEISA-N 1 0 378.420 1.721 20 0 GDADRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000733166678 654501312 /nfs/dbraw/zinc/50/13/12/654501312.db2.gz JWSKLOYGVHBAHA-WFASDCNBSA-N 1 0 375.922 1.709 20 0 GDADRO O=C(NCCCNC(=O)c1cccc(Br)c1)NCC[NH2+]C1CC1 ZINC000669438555 654504994 /nfs/dbraw/zinc/50/49/94/654504994.db2.gz DZWOEFSEFCUSSV-UHFFFAOYSA-N 1 0 383.290 1.620 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000770424005 654511414 /nfs/dbraw/zinc/51/14/14/654511414.db2.gz FXOCILRZZCCWHE-UHFFFAOYSA-N 1 0 387.889 1.674 20 0 GDADRO O=C(NCc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671104127 654531454 /nfs/dbraw/zinc/53/14/54/654531454.db2.gz LSRGOBLHGGGFPE-UWVGGRQHSA-N 1 0 376.404 1.521 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cc(Cl)ccc3F)CC2)C1 ZINC000671173353 654532313 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C[C@@H](C[NH+](C)C)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000805115776 655026330 /nfs/dbraw/zinc/02/63/30/655026330.db2.gz QZCTXIWCLPJYSU-QMMMGPOBSA-N 1 0 395.710 1.979 20 0 GDADRO COc1nc(Br)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000789882742 655034655 /nfs/dbraw/zinc/03/46/55/655034655.db2.gz YLPIOPQMFNNTQI-JTQLQIEISA-N 1 0 385.262 1.201 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000832640154 655042703 /nfs/dbraw/zinc/04/27/03/655042703.db2.gz VSOVOUAXNCNIMF-CYBMUJFWSA-N 1 0 385.917 1.806 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1 ZINC000832697072 655045462 /nfs/dbraw/zinc/04/54/62/655045462.db2.gz SUGMLEXXUCZTJG-UHFFFAOYSA-N 1 0 390.303 1.311 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC[C@H]1[NH3+] ZINC000832731529 655049731 /nfs/dbraw/zinc/04/97/31/655049731.db2.gz MPHSWEIGGWKLNM-SWLSCSKDSA-N 1 0 385.917 1.934 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC[C@@H]1[NH3+] ZINC000832737292 655050209 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CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000816362943 655324960 /nfs/dbraw/zinc/32/49/60/655324960.db2.gz XXFONSMVJPYJGS-QGZVFWFLSA-N 1 0 388.917 1.662 20 0 GDADRO Cn1ncc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1I ZINC000816527893 655328225 /nfs/dbraw/zinc/32/82/25/655328225.db2.gz DCTVKNUODJOUJM-NSHDSACASA-N 1 0 390.269 1.875 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c(F)cc1Cl ZINC000841522545 655336570 /nfs/dbraw/zinc/33/65/70/655336570.db2.gz XLTWHIOOTSSOII-HZMBPMFUSA-N 1 0 390.864 1.980 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1Cl ZINC000816954149 655339585 /nfs/dbraw/zinc/33/95/85/655339585.db2.gz UOWLIDUZHCTJTC-OCCSQVGLSA-N 1 0 387.889 1.298 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cn(-c4ccccc4Br)nn3)[C@H]2C1 ZINC000816953038 655339617 /nfs/dbraw/zinc/33/96/17/655339617.db2.gz XQRRQEBXSJYUAL-ABAIWWIYSA-N 1 0 376.258 1.806 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)NC[C@H]2CSCCS2)C1)[C@H]1CCC[NH2+]1 ZINC000841852416 655354167 /nfs/dbraw/zinc/35/41/67/655354167.db2.gz COUBNIBDGZNSOK-SOUVJXGZSA-N 1 0 386.587 1.125 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000841865362 655354348 /nfs/dbraw/zinc/35/43/48/655354348.db2.gz AEVYHCGSHZNSPI-NXEZZACHSA-N 1 0 383.392 1.394 20 0 GDADRO C[C@]1(CNC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1(Cl)Cl ZINC000841911747 655354687 /nfs/dbraw/zinc/35/46/87/655354687.db2.gz YHURTLWUUDQLHU-XJKCOSOUSA-N 1 0 391.343 1.860 20 0 GDADRO COC[C@]1(CNC(=O)NC[C@@H](O)c2cccc(Br)c2)CCC[NH2+]1 ZINC000841995651 655354977 /nfs/dbraw/zinc/35/49/77/655354977.db2.gz SUWDUWOGDCLUPK-GDBMZVCRSA-N 1 0 386.290 1.550 20 0 GDADRO CN(Cc1ccc(Cl)nc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841993167 655355026 /nfs/dbraw/zinc/35/50/26/655355026.db2.gz UCXYXFKUOZVDSI-GFCCVEGCSA-N 1 0 379.814 1.713 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)NS(=O)(=O)c1cccnc1Cl ZINC000817675748 655356751 /nfs/dbraw/zinc/35/67/51/655356751.db2.gz ATGFGWZASZMNRB-OLZOCXBDSA-N 1 0 388.921 1.345 20 0 GDADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000842207708 655358671 /nfs/dbraw/zinc/35/86/71/655358671.db2.gz TUZTXHQQFFXMNM-YPMHNXCESA-N 1 0 389.905 1.944 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(Br)cc2F)C1 ZINC000842216234 655359240 /nfs/dbraw/zinc/35/92/40/655359240.db2.gz GJTAOMBKJQZDAT-ZWNOBZJWSA-N 1 0 386.265 1.491 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2F)C1 ZINC000842217365 655359524 /nfs/dbraw/zinc/35/95/24/655359524.db2.gz WXQZKZAQDRARID-LLVKDONJSA-N 1 0 386.265 1.315 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000842217247 655359528 /nfs/dbraw/zinc/35/95/28/655359528.db2.gz VCWCXIWODBPLAQ-ZDUSSCGKSA-N 1 0 388.281 1.881 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000842217607 655359555 /nfs/dbraw/zinc/35/95/55/655359555.db2.gz YAUWJZICTQDROW-CYBMUJFWSA-N 1 0 386.265 1.457 20 0 GDADRO Cc1csc([C@](O)(CC(=O)NC[C@@](C)(O)CC[NH+](C)C)C(F)(F)F)n1 ZINC000842253034 655360433 /nfs/dbraw/zinc/36/04/33/655360433.db2.gz OGJFUXAGCYEFHG-UONOGXRCSA-N 1 0 383.436 1.410 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000817863695 655361157 /nfs/dbraw/zinc/36/11/57/655361157.db2.gz LXXRJDHDQRTBJF-UPJWGTAASA-N 1 0 389.543 1.641 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817933433 655362632 /nfs/dbraw/zinc/36/26/32/655362632.db2.gz DTGKMALSNLKMDH-OAHLLOKOSA-N 1 0 386.315 1.824 20 0 GDADRO CC(C)C[C@@H](C[NH3+])N[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959520 655362925 /nfs/dbraw/zinc/36/29/25/655362925.db2.gz SIYIDGGGVMHWDL-HIFRSBDPSA-N 1 0 391.559 1.436 20 0 GDADRO CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959524 655363049 /nfs/dbraw/zinc/36/30/49/655363049.db2.gz SIYIDGGGVMHWDL-ZFWWWQNUSA-N 1 0 391.559 1.436 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000817989397 655363477 /nfs/dbraw/zinc/36/34/77/655363477.db2.gz NEAYNFYEERMFCB-IUODEOHRSA-N 1 0 398.301 1.151 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)c2ccccc2Br)[C@@H](C)C[NH2+]1 ZINC000817991326 655363733 /nfs/dbraw/zinc/36/37/33/655363733.db2.gz RDNYFDVWUILFJL-XUJVJEKNSA-N 1 0 398.301 1.150 20 0 GDADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000817992206 655363796 /nfs/dbraw/zinc/36/37/96/655363796.db2.gz QRNXXWZPVYOKBW-HNNXBMFYSA-N 1 0 398.301 1.138 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)C[C@H](O)c2ccccc2Br)C1 ZINC000817994254 655363902 /nfs/dbraw/zinc/36/39/02/655363902.db2.gz MZRSFRNLVLVJKZ-HUBLWGQQSA-N 1 0 398.301 1.137 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C[C@@H](C)[NH2+]1 ZINC000817993576 655363948 /nfs/dbraw/zinc/36/39/48/655363948.db2.gz LUKZPDOIIWIMIW-LALPHHSUSA-N 1 0 398.301 1.150 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C[C@@]1(C)C[NH3+] ZINC000818007709 655364303 /nfs/dbraw/zinc/36/43/03/655364303.db2.gz IKSTWMSRNCTXDQ-MEBBXXQBSA-N 1 0 389.315 1.910 20 0 GDADRO O=S(=O)(/C=C\c1ccccc1Br)NC[C@H]1C[NH2+]CCCO1 ZINC000842481177 655367044 /nfs/dbraw/zinc/36/70/44/655367044.db2.gz GTNYUDNYWBAOBA-OYVUYXNMSA-N 1 0 375.288 1.718 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C(F)F ZINC000842484142 655367816 /nfs/dbraw/zinc/36/78/16/655367816.db2.gz DVRXUWINCBUDQA-AWEZNQCLSA-N 1 0 380.438 1.200 20 0 GDADRO O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842484532 655367961 /nfs/dbraw/zinc/36/79/61/655367961.db2.gz ANCCMTGBFDZMBU-CYBMUJFWSA-N 1 0 398.428 1.497 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1)C(F)(F)F ZINC000842486034 655368286 /nfs/dbraw/zinc/36/82/86/655368286.db2.gz YDFBSARLAWRBHL-CQSZACIVSA-N 1 0 377.388 1.704 20 0 GDADRO O=S(=O)(c1ccc(Cc2nc([C@@H]3CCC[NH2+]C3)no2)s1)N1CCCC1 ZINC000842660381 655370546 /nfs/dbraw/zinc/37/05/46/655370546.db2.gz HDDYMJKCHUPQDB-GFCCVEGCSA-N 1 0 382.511 1.973 20 0 GDADRO CC(=O)N1CCN(CC[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842669185 655370588 /nfs/dbraw/zinc/37/05/88/655370588.db2.gz JEUTVPKKGLGNET-UHFFFAOYSA-N 1 0 375.698 1.751 20 0 GDADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000842678767 655370831 /nfs/dbraw/zinc/37/08/31/655370831.db2.gz CMHBACCUSBKRSN-LLVKDONJSA-N 1 0 382.454 1.303 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)NCC2CC[NH2+]CC2)ccc1Br ZINC000842686675 655371169 /nfs/dbraw/zinc/37/11/69/655371169.db2.gz JXFKIYKESVIXKD-UHFFFAOYSA-N 1 0 375.288 1.930 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)s1 ZINC000842687155 655371170 /nfs/dbraw/zinc/37/11/70/655371170.db2.gz TYZDOTAZHLRYAC-SSDOTTSWSA-N 1 0 383.289 1.328 20 0 GDADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000842710526 655372713 /nfs/dbraw/zinc/37/27/13/655372713.db2.gz SCDDDPIDSOCCHN-GFCCVEGCSA-N 1 0 375.516 1.409 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)C1 ZINC000842711077 655372777 /nfs/dbraw/zinc/37/27/77/655372777.db2.gz WEROYANYKXIZSM-SNVBAGLBSA-N 1 0 391.287 1.466 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)[C@@H]1C[NH3+] ZINC000842721566 655373509 /nfs/dbraw/zinc/37/35/09/655373509.db2.gz JSHQFAKHLYYRGN-ZWNOBZJWSA-N 1 0 379.404 1.935 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000842726953 655374008 /nfs/dbraw/zinc/37/40/08/655374008.db2.gz RXPWXYYQKJXOBT-NWDGAFQWSA-N 1 0 375.516 1.395 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1Br ZINC000842726751 655374010 /nfs/dbraw/zinc/37/40/10/655374010.db2.gz NFQAZPAKHNTKIG-TVQRCGJNSA-N 1 0 391.287 1.594 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000842734030 655374241 /nfs/dbraw/zinc/37/42/41/655374241.db2.gz UOIURMPAIFIZEK-MNOVXSKESA-N 1 0 378.903 1.259 20 0 GDADRO CC[NH2+]CC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000818482240 655375264 /nfs/dbraw/zinc/37/52/64/655375264.db2.gz QTDWLTKMWHRWST-UHFFFAOYSA-N 1 0 384.274 1.108 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C(F)F ZINC000842762358 655375635 /nfs/dbraw/zinc/37/56/35/655375635.db2.gz DSFREIAUZOAUFT-CQSZACIVSA-N 1 0 380.438 1.057 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000818532061 655376248 /nfs/dbraw/zinc/37/62/48/655376248.db2.gz NKAUPKIZUBLKBQ-SNVBAGLBSA-N 1 0 375.288 1.806 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1Cl ZINC000818563588 655376321 /nfs/dbraw/zinc/37/63/21/655376321.db2.gz PFRWXIVKCWZBBU-MNOVXSKESA-N 1 0 375.878 1.331 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000818563243 655376393 /nfs/dbraw/zinc/37/63/93/655376393.db2.gz GGSDJEAMGNLEML-CHWSQXEVSA-N 1 0 385.917 1.934 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000818583605 655376667 /nfs/dbraw/zinc/37/66/67/655376667.db2.gz DJRKVSXTXFQPPZ-SNVBAGLBSA-N 1 0 392.319 1.427 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)C[NH3+])c(Br)cc1Cl ZINC000842787888 655377011 /nfs/dbraw/zinc/37/70/11/655377011.db2.gz VUPMQUWFIFLMIA-ZETCQYMHSA-N 1 0 399.694 1.762 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC[NH3+])c(Br)cc1Cl ZINC000842791210 655377294 /nfs/dbraw/zinc/37/72/94/655377294.db2.gz RMMKGWDAVCVRGH-ZETCQYMHSA-N 1 0 399.694 1.905 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000842795973 655377719 /nfs/dbraw/zinc/37/77/19/655377719.db2.gz RJOADWKRPUDPRZ-CLOOOTJHSA-N 1 0 385.917 1.960 20 0 GDADRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000842803096 655378241 /nfs/dbraw/zinc/37/82/41/655378241.db2.gz GHHGHZIQKOLLNV-NHYWBVRUSA-N 1 0 378.491 1.415 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1Cl ZINC000842804444 655378433 /nfs/dbraw/zinc/37/84/33/655378433.db2.gz MELHFUGFRVCAES-ZDUSSCGKSA-N 1 0 380.919 1.539 20 0 GDADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(F)c(F)c(C(=O)OC)c2)CC1 ZINC000842824640 655379757 /nfs/dbraw/zinc/37/97/57/655379757.db2.gz CUVSEWAOAXGJIG-UHFFFAOYSA-N 1 0 376.425 1.762 20 0 GDADRO CC1(CNS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC[NH2+]CC1 ZINC000842826883 655379883 /nfs/dbraw/zinc/37/98/83/655379883.db2.gz IBNYQHJFAXBXIZ-UHFFFAOYSA-N 1 0 380.919 1.412 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000842830834 655380149 /nfs/dbraw/zinc/38/01/49/655380149.db2.gz ORBMGDSZURQNGZ-IONNQARKSA-N 1 0 397.316 1.574 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)s1 ZINC000842836634 655380454 /nfs/dbraw/zinc/38/04/54/655380454.db2.gz UHVJCGSAJUUUAC-YUMQZZPRSA-N 1 0 397.316 1.668 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c(Br)cc1F ZINC000842881036 655382375 /nfs/dbraw/zinc/38/23/75/655382375.db2.gz BRXLPFMTZXNAJI-RQJHMYQMSA-N 1 0 383.239 1.389 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)c(Br)o1 ZINC000842893015 655383212 /nfs/dbraw/zinc/38/32/12/655383212.db2.gz RIHRBEHMCIPWGL-UHFFFAOYSA-N 1 0 381.248 1.331 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000842895189 655383476 /nfs/dbraw/zinc/38/34/76/655383476.db2.gz KVBKZEVZGCHOMT-SNVBAGLBSA-N 1 0 380.297 1.764 20 0 GDADRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000819051139 655383964 /nfs/dbraw/zinc/38/39/64/655383964.db2.gz NGHVMLXNRWHQMN-AWEZNQCLSA-N 1 0 378.535 1.455 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000819063672 655384387 /nfs/dbraw/zinc/38/43/87/655384387.db2.gz PINTYTVRBKFCMZ-INIZCTEOSA-N 1 0 376.469 1.834 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819065343 655384581 /nfs/dbraw/zinc/38/45/81/655384581.db2.gz NDWQICCWMSQOBF-YOEHRIQHSA-N 1 0 378.535 1.551 20 0 GDADRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(C)(C)C ZINC000819076200 655384720 /nfs/dbraw/zinc/38/47/20/655384720.db2.gz VDPAKHPUKFRRGB-AWEZNQCLSA-N 1 0 390.571 1.982 20 0 GDADRO Cn1cc(N2CC[C@H]([NH2+]C[C@H](O)c3ccccc3Br)C2=O)cn1 ZINC000819080118 655384733 /nfs/dbraw/zinc/38/47/33/655384733.db2.gz CMXPOAGIHDZORS-GJZGRUSLSA-N 1 0 379.258 1.611 20 0 GDADRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000842927299 655384998 /nfs/dbraw/zinc/38/49/98/655384998.db2.gz FETDIIWCEHWVDO-YRGRVCCFSA-N 1 0 376.500 1.240 20 0 GDADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@H](O)c3cccc(Br)c3)C2=O)cn1 ZINC000819082705 655385033 /nfs/dbraw/zinc/38/50/33/655385033.db2.gz VHCWWTLDGMHTOX-CABCVRRESA-N 1 0 379.258 1.611 20 0 GDADRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C(=O)N1CCOCC1 ZINC000819141620 655386919 /nfs/dbraw/zinc/38/69/19/655386919.db2.gz YOQFSQVIVKRCNA-LSDHHAIUSA-N 1 0 389.265 1.849 20 0 GDADRO CC[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C(=O)N1CCOCC1 ZINC000819141618 655386931 /nfs/dbraw/zinc/38/69/31/655386931.db2.gz YOQFSQVIVKRCNA-GJZGRUSLSA-N 1 0 389.265 1.849 20 0 GDADRO CN(CC[NH2+]C[C@H](O)c1cc(F)ccc1F)S(=O)(=O)c1cccs1 ZINC000819179653 655387621 /nfs/dbraw/zinc/38/76/21/655387621.db2.gz GFMFZGZIEBNXHU-AWEZNQCLSA-N 1 0 376.450 1.970 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819187329 655387928 /nfs/dbraw/zinc/38/79/28/655387928.db2.gz HUMZNSHZZNVBCV-SMDDNHRTSA-N 1 0 382.404 1.490 20 0 GDADRO CCOC(=O)C[C@H](CO)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000843077311 655387972 /nfs/dbraw/zinc/38/79/72/655387972.db2.gz RLXAUZGKTWOEQX-ABAIWWIYSA-N 1 0 378.238 1.699 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000843077022 655388029 /nfs/dbraw/zinc/38/80/29/655388029.db2.gz PHQIRFBTJLNHKU-ZDUSSCGKSA-N 1 0 376.450 1.075 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000819199468 655388057 /nfs/dbraw/zinc/38/80/57/655388057.db2.gz XFBQHBNZNJFVNN-BZPMIXESSA-N 1 0 381.585 1.712 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819189936 655388059 /nfs/dbraw/zinc/38/80/59/655388059.db2.gz LVFXRUKKBLGQNZ-BXUZGUMPSA-N 1 0 377.304 1.496 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(Cl)c1)c1cccs1 ZINC000843096956 655388294 /nfs/dbraw/zinc/38/82/94/655388294.db2.gz HEHYCHFDSHFHHN-ZIAGYGMSSA-N 1 0 375.899 1.859 20 0 GDADRO C[C@H]1[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C ZINC000819243691 655388513 /nfs/dbraw/zinc/38/85/13/655388513.db2.gz CCSBICWHKDXZGY-KBPBESRZSA-N 1 0 376.519 1.304 20 0 GDADRO CCS(=O)(=O)CC[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000843115112 655388742 /nfs/dbraw/zinc/38/87/42/655388742.db2.gz GVXKEVRDOYRENT-NSHDSACASA-N 1 0 382.295 1.764 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000819255985 655388868 /nfs/dbraw/zinc/38/88/68/655388868.db2.gz FUPNEKZYXCKLKW-AWEZNQCLSA-N 1 0 389.520 1.378 20 0 GDADRO [NH3+]CCc1noc(CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000843130648 655389150 /nfs/dbraw/zinc/38/91/50/655389150.db2.gz QLCHWFBGAVXTJY-UHFFFAOYSA-N 1 0 378.376 1.501 20 0 GDADRO CC(C)[C@@H]([NH3+])c1noc(CSCCOc2ccc(S(N)(=O)=O)cc2)n1 ZINC000843155015 655389323 /nfs/dbraw/zinc/38/93/23/655389323.db2.gz OIJKSNBOZGBKSC-CQSZACIVSA-N 1 0 386.499 1.685 20 0 GDADRO COc1cc(Cc2noc(C[C@@H]3CSCC[NH2+]3)n2)ccc1S(C)(=O)=O ZINC000843205807 655389729 /nfs/dbraw/zinc/38/97/29/655389729.db2.gz PFHVZTFMJFEXDU-GFCCVEGCSA-N 1 0 383.495 1.320 20 0 GDADRO [NH3+]CCOCc1nc(-c2cccn3c(I)cnc23)no1 ZINC000843224196 655389982 /nfs/dbraw/zinc/38/99/82/655389982.db2.gz LKJFZBHEGGXDPK-UHFFFAOYSA-N 1 0 385.165 1.464 20 0 GDADRO O=C(Cc1noc(C[C@@H]2C[NH2+]CCO2)n1)Nc1ccccc1Br ZINC000843218682 655390052 /nfs/dbraw/zinc/39/00/52/655390052.db2.gz BLKOJVIGEROTKN-SNVBAGLBSA-N 1 0 381.230 1.544 20 0 GDADRO [NH3+]CCCCCCNC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000843262894 655390182 /nfs/dbraw/zinc/39/01/82/655390182.db2.gz WFCGTCBMIXPRRT-UHFFFAOYSA-N 1 0 376.320 1.805 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000843260274 655390205 /nfs/dbraw/zinc/39/02/05/655390205.db2.gz DBDDPYRNALLCKY-HUBLWGQQSA-N 1 0 398.301 1.591 20 0 GDADRO O=C(/C=C\c1ccc(Br)o1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843318133 655392493 /nfs/dbraw/zinc/39/24/93/655392493.db2.gz YPJGHUCIADEMOB-RYWCDNDXSA-N 1 0 396.285 1.726 20 0 GDADRO C[C@H](CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)NS(=O)(=O)c1cccnc1Cl ZINC000843324634 655392704 /nfs/dbraw/zinc/39/27/04/655392704.db2.gz PRGPBCRENZQTGX-UPJWGTAASA-N 1 0 388.921 1.296 20 0 GDADRO C[C@@H]([NH3+])C1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000843348507 655393405 /nfs/dbraw/zinc/39/34/05/655393405.db2.gz HSFAXZSRHQHDQO-LLVKDONJSA-N 1 0 375.441 1.681 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)s1 ZINC000843372686 655393802 /nfs/dbraw/zinc/39/38/02/655393802.db2.gz BDKKCRKSINICLS-CYBMUJFWSA-N 1 0 389.543 1.163 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000843376842 655393936 /nfs/dbraw/zinc/39/39/36/655393936.db2.gz HTINRHLXCYTXLG-HNNXBMFYSA-N 1 0 387.933 1.433 20 0 GDADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc(Cl)n1 ZINC000843380153 655394101 /nfs/dbraw/zinc/39/41/01/655394101.db2.gz MZMLYMXLICELCQ-KBPBESRZSA-N 1 0 388.921 1.364 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000843399175 655394136 /nfs/dbraw/zinc/39/41/36/655394136.db2.gz OBASDUWRZVTOFG-UONOGXRCSA-N 1 0 377.551 1.939 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000843404316 655394360 /nfs/dbraw/zinc/39/43/60/655394360.db2.gz HHQXWWPMISLASL-LBPRGKRZSA-N 1 0 385.258 1.605 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843414687 655394660 /nfs/dbraw/zinc/39/46/60/655394660.db2.gz BFUJQUBOCFRMQO-AWEZNQCLSA-N 1 0 398.301 1.971 20 0 GDADRO Cn1nc(Br)c2c1ncnc2NCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000843431201 655394909 /nfs/dbraw/zinc/39/49/09/655394909.db2.gz OCZHYUBAMPIWRJ-SECBINFHSA-N 1 0 384.282 1.027 20 0 GDADRO Cn1nc(Br)c2c1ncnc2NCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000843430868 655394956 /nfs/dbraw/zinc/39/49/56/655394956.db2.gz HEMXYVGNGZMCSW-HNNXBMFYSA-N 1 0 396.293 1.044 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C1 ZINC000843468912 655395815 /nfs/dbraw/zinc/39/58/15/655395815.db2.gz BWXQZOQALMIXGE-RYUDHWBXSA-N 1 0 380.495 1.298 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000843471509 655395996 /nfs/dbraw/zinc/39/59/96/655395996.db2.gz HVGDSEQMRFZPQD-ZBFHGGJFSA-N 1 0 388.295 1.873 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)sc1Br ZINC000843480212 655396438 /nfs/dbraw/zinc/39/64/38/655396438.db2.gz XWKCPGJXFUJHOV-VIFPVBQESA-N 1 0 394.316 1.030 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000843779977 655400487 /nfs/dbraw/zinc/40/04/87/655400487.db2.gz VANQDORRTICHRP-QWHCGFSZSA-N 1 0 393.285 1.929 20 0 GDADRO CCCN(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)[C@@H]1CC[N@H+](C)C1 ZINC000843989314 655404282 /nfs/dbraw/zinc/40/42/82/655404282.db2.gz NFTOCPZJXWIIMN-SNVBAGLBSA-N 1 0 377.869 1.683 20 0 GDADRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2cc[nH]c(=O)c2Br)C[C@@H]1C ZINC000844024541 655405251 /nfs/dbraw/zinc/40/52/51/655405251.db2.gz MESSFDOXTDSGPQ-TXEJJXNPSA-N 1 0 386.290 1.660 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Cl)ncc1Br ZINC000844038128 655405717 /nfs/dbraw/zinc/40/57/17/655405717.db2.gz MMMIIACUDNHBCY-VIFPVBQESA-N 1 0 389.681 1.690 20 0 GDADRO CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844360562 655409693 /nfs/dbraw/zinc/40/96/93/655409693.db2.gz RBUFGCDEXGHRHE-YOEHRIQHSA-N 1 0 375.535 1.553 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3ccc4c(Br)cnn4c3)C2)CC1 ZINC000820494777 655410812 /nfs/dbraw/zinc/41/08/12/655410812.db2.gz KNUKHKCFPUXOGL-UHFFFAOYSA-N 1 0 392.301 1.416 20 0 GDADRO O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000820752165 655415196 /nfs/dbraw/zinc/41/51/96/655415196.db2.gz WSFOTWNJEOXMCW-ZDUSSCGKSA-N 1 0 383.436 1.434 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC000820794745 655417013 /nfs/dbraw/zinc/41/70/13/655417013.db2.gz IKUMPPWJMQAFCV-AWEZNQCLSA-N 1 0 395.308 1.190 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000820851700 655418174 /nfs/dbraw/zinc/41/81/74/655418174.db2.gz RAFPKFJONRMJFT-LSDHHAIUSA-N 1 0 375.535 1.647 20 0 GDADRO CCNS(=O)(=O)[C@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000820880709 655418531 /nfs/dbraw/zinc/41/85/31/655418531.db2.gz ILWCWAXXOMGAAP-AWEZNQCLSA-N 1 0 375.535 1.695 20 0 GDADRO C[NH+](C)CC[C@@H](N)c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000844919237 655421119 /nfs/dbraw/zinc/42/11/19/655421119.db2.gz IRKFCHVBFFMJKE-GFCCVEGCSA-N 1 0 382.262 1.714 20 0 GDADRO CC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000844924071 655421166 /nfs/dbraw/zinc/42/11/66/655421166.db2.gz WDGYODVNTGEPLC-SOUVJXGZSA-N 1 0 375.535 1.788 20 0 GDADRO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845579520 655433315 /nfs/dbraw/zinc/43/33/15/655433315.db2.gz UKWSAQWTWMXTCE-QZCBDURASA-N 1 0 375.535 1.199 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)c1cc(Br)c2nccnc2c1 ZINC000821862717 655436201 /nfs/dbraw/zinc/43/62/01/655436201.db2.gz HFNLWXQPQCXNHN-UHFFFAOYSA-N 1 0 379.258 1.579 20 0 GDADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC1 ZINC000845826474 655436345 /nfs/dbraw/zinc/43/63/45/655436345.db2.gz WDTVGOHRMGCFGT-UHFFFAOYSA-N 1 0 386.539 1.656 20 0 GDADRO COCCOCC[N@H+](C)CCC(=O)Nc1nc(Br)ccc1O ZINC000822353084 655444044 /nfs/dbraw/zinc/44/40/44/655444044.db2.gz LQXPWLDLVHSNME-UHFFFAOYSA-N 1 0 376.251 1.473 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000846208476 655449884 /nfs/dbraw/zinc/44/98/84/655449884.db2.gz ILVUFHXHQJZRLJ-CHWSQXEVSA-N 1 0 379.332 1.990 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000846231871 655450283 /nfs/dbraw/zinc/45/02/83/655450283.db2.gz OHRABJMSIZIMBQ-OCCSQVGLSA-N 1 0 389.543 1.785 20 0 GDADRO CS(=O)(=O)C1(c2nc(-c3ccc(Br)o3)no2)CC[NH2+]CC1 ZINC000823106171 655456841 /nfs/dbraw/zinc/45/68/41/655456841.db2.gz XNGWPFPZNIJJSG-UHFFFAOYSA-N 1 0 376.232 1.715 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1[S@](=O)C(F)(F)F ZINC000823193423 655458040 /nfs/dbraw/zinc/45/80/40/655458040.db2.gz NXNCXIBLUOPWNB-YDBLSZJJSA-N 1 0 378.416 1.891 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O=C(c1cnn2cccc(Br)c12)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000826564385 655498872 /nfs/dbraw/zinc/49/88/72/655498872.db2.gz OVYAQHUZJVVYNY-ZDUSSCGKSA-N 1 0 393.285 1.768 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(Br)n[nH]2)cc1 ZINC000826667477 655499794 /nfs/dbraw/zinc/49/97/94/655499794.db2.gz PIWIPGWCFFFPBI-UHFFFAOYSA-N 1 0 394.273 1.394 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(Br)cn2)cn1 ZINC000826809915 655501317 /nfs/dbraw/zinc/50/13/17/655501317.db2.gz UTWKXJYJWGMJPT-JKSUJKDBSA-N 1 0 392.301 1.929 20 0 GDADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc(Cl)n1 ZINC000827719180 655515462 /nfs/dbraw/zinc/51/54/62/655515462.db2.gz FWKZRYOBHGRGBL-CQSZACIVSA-N 1 0 388.921 1.316 20 0 GDADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1ccc(S(C)(=O)=O)s1 ZINC000849112607 655517411 /nfs/dbraw/zinc/51/74/11/655517411.db2.gz XVWXBRWXPPHVIR-UHFFFAOYSA-N 1 0 376.504 1.290 20 0 GDADRO COC[C@@H](C)NC(=[NH2+])NC[C@H](CO)Cc1cc(Br)ccc1OC ZINC000849116227 655517530 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382.877 1.331 20 0 GDADRO O=C(N1CCn2ncc(Br)c2C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000851648120 655589568 /nfs/dbraw/zinc/58/95/68/655589568.db2.gz SAGWCQUBTGSPRG-QGZVFWFLSA-N 1 0 375.270 1.919 20 0 GDADRO COC[C@@]1(CNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CCC[NH2+]1 ZINC000851637376 655589574 /nfs/dbraw/zinc/58/95/74/655589574.db2.gz ZPKBAVOASZTXJQ-AWEZNQCLSA-N 1 0 380.388 1.479 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC[C@H]1F ZINC000851649004 655589692 /nfs/dbraw/zinc/58/96/92/655589692.db2.gz SBVYWLBZOAPPQT-CHWSQXEVSA-N 1 0 382.486 1.826 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000851672825 655590328 /nfs/dbraw/zinc/59/03/28/655590328.db2.gz VAKGYKMNWZDBLX-OLZOCXBDSA-N 1 0 385.452 1.527 20 0 GDADRO O=C(NCCc1ccc(I)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851677331 655590335 /nfs/dbraw/zinc/59/03/35/655590335.db2.gz UYJQYIGVXJPQNK-OCCSQVGLSA-N 1 0 385.249 1.837 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000851893148 655603124 /nfs/dbraw/zinc/60/31/24/655603124.db2.gz GYRBVYFWQJYYBY-SMDDNHRTSA-N 1 0 380.403 1.569 20 0 GDADRO NC(=O)[C@](O)(C[N@H+](CCO)Cc1cc(Br)cs1)c1ccccc1 ZINC000851984319 655605175 /nfs/dbraw/zinc/60/51/75/655605175.db2.gz KVCBGUFKANZNRF-INIZCTEOSA-N 1 0 399.310 1.678 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCn2ncc(Br)c2C1 ZINC000852064676 655606974 /nfs/dbraw/zinc/60/69/74/655606974.db2.gz DMPMUODXERHNJF-VXGBXAGGSA-N 1 0 384.278 1.034 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)N2CCn3ncc(Br)c3C2)CCSC1 ZINC000852181467 655609620 /nfs/dbraw/zinc/60/96/20/655609620.db2.gz BJWSFQMAGIVJOV-CQSZACIVSA-N 1 0 388.335 1.608 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@H+](CCS(N)(=O)=O)C2)CC1 ZINC000852303445 655611944 /nfs/dbraw/zinc/61/19/44/655611944.db2.gz PNUMOECLNFYRCG-HNNXBMFYSA-N 1 0 375.535 1.634 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000852455901 655614730 /nfs/dbraw/zinc/61/47/30/655614730.db2.gz WIMJLTVWBJURAT-LBPRGKRZSA-N 1 0 379.404 1.036 20 0 GDADRO O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000852459128 655615227 /nfs/dbraw/zinc/61/52/27/655615227.db2.gz QUUNWSLHQPDZBW-GLAPUPDPSA-N 1 0 381.464 1.956 20 0 GDADRO COC(=O)N(C)CC[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000852568538 655617957 /nfs/dbraw/zinc/61/79/57/655617957.db2.gz IJIQHVOVYXBPHH-CYBMUJFWSA-N 1 0 393.253 1.958 20 0 GDADRO C[C@@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852599429 655618385 /nfs/dbraw/zinc/61/83/85/655618385.db2.gz LHWPZVSOTHTGQM-CABCVRRESA-N 1 0 377.551 1.893 20 0 GDADRO C[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C[NH3+])C1 ZINC000852759085 655622264 /nfs/dbraw/zinc/62/22/64/655622264.db2.gz JMAYQPYMKLYJDO-YPMHNXCESA-N 1 0 375.441 1.681 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)=NO1 ZINC000852819302 655623543 /nfs/dbraw/zinc/62/35/43/655623543.db2.gz AVBLMGIMEXVIPH-SNVBAGLBSA-N 1 0 385.251 1.381 20 0 GDADRO C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000852853766 655624106 /nfs/dbraw/zinc/62/41/06/655624106.db2.gz QSRATEZDFSWMQV-KWQFWETISA-N 1 0 394.229 1.780 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000852858739 655624125 /nfs/dbraw/zinc/62/41/25/655624125.db2.gz IEYGWTBNIZNBFR-UHFFFAOYSA-N 1 0 385.917 1.932 20 0 GDADRO [NH3+]C1(CC(=O)N2CCC(n3nncc3I)CC2)CCC1 ZINC000852861245 655624402 /nfs/dbraw/zinc/62/44/02/655624402.db2.gz RRKOVYYLAJLUOL-UHFFFAOYSA-N 1 0 389.241 1.318 20 0 GDADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852869834 655624680 /nfs/dbraw/zinc/62/46/80/655624680.db2.gz MUJCLPUIKWFSOD-WFASDCNBSA-N 1 0 395.301 1.758 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2[nH]nc(C)c2Br)CC1 ZINC000852869377 655624714 /nfs/dbraw/zinc/62/47/14/655624714.db2.gz DSBBAKQBUVEONZ-UHFFFAOYSA-N 1 0 386.294 1.201 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000852881531 655625040 /nfs/dbraw/zinc/62/50/40/655625040.db2.gz XNVUYXGDDQOBPR-GFCCVEGCSA-N 1 0 391.212 1.904 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ZINC000855411984 655693606 /nfs/dbraw/zinc/69/36/06/655693606.db2.gz FRXWIUNSAWQVCS-NSHDSACASA-N 1 0 377.894 1.592 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000855414263 655693723 /nfs/dbraw/zinc/69/37/23/655693723.db2.gz XZGKOMDZEUBVOB-GFCCVEGCSA-N 1 0 391.921 1.335 20 0 GDADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254547 655710989 /nfs/dbraw/zinc/71/09/89/655710989.db2.gz BXYNPLRZKCBQOV-WBVHZDCISA-N 1 0 395.297 1.810 20 0 GDADRO O=C(c1cn2c(Br)cnc2s1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856257370 655711011 /nfs/dbraw/zinc/71/10/11/655711011.db2.gz WBURRUAJAISWKK-NSHDSACASA-N 1 0 399.314 1.830 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000856785920 655719124 /nfs/dbraw/zinc/71/91/24/655719124.db2.gz CGOIZJWAJKLGGY-LSDHHAIUSA-N 1 0 377.399 1.830 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000856797728 655719253 /nfs/dbraw/zinc/71/92/53/655719253.db2.gz KWWYALNLWNUOQT-HZPDHXFCSA-N 1 0 375.406 1.750 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2c(Br)nc3n2CCOC3)cn1 ZINC000857087385 655727414 /nfs/dbraw/zinc/72/74/14/655727414.db2.gz VQDAHSZZFJNVEB-UHFFFAOYSA-N 1 0 383.250 1.186 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000857113622 655728004 /nfs/dbraw/zinc/72/80/04/655728004.db2.gz CMTPRTQUYKMPNG-NSHDSACASA-N 1 0 398.305 1.942 20 0 GDADRO Cc1c(C(=O)NC2CC([NH+](C)C)C2)cc(Br)cc1S(N)(=O)=O ZINC000857231136 655731564 /nfs/dbraw/zinc/73/15/64/655731564.db2.gz WFRJHKYTCCMSRF-UHFFFAOYSA-N 1 0 390.303 1.227 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000857256673 655732320 /nfs/dbraw/zinc/73/23/20/655732320.db2.gz LKPYSEMZAPQWHQ-NWDGAFQWSA-N 1 0 383.290 1.875 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857714476 655739859 /nfs/dbraw/zinc/73/98/59/655739859.db2.gz PPABLLSNMWVTQL-RYUDHWBXSA-N 1 0 383.290 1.732 20 0 GDADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCS(=O)(=O)N2CCOCC2)s1 ZINC000858127294 655744634 /nfs/dbraw/zinc/74/46/34/655744634.db2.gz XOCVFVXFEUNKDS-UHFFFAOYSA-N 1 0 390.527 1.455 20 0 GDADRO CN(CCOCC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000858501034 655748918 /nfs/dbraw/zinc/74/89/18/655748918.db2.gz VWXYSYZWKAVZDF-HUUCEWRRSA-N 1 0 378.535 1.815 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1)C(F)(F)F ZINC000858613708 655750362 /nfs/dbraw/zinc/75/03/62/655750362.db2.gz QVJKCFSWSJYNTH-ZWNOBZJWSA-N 1 0 377.388 1.560 20 0 GDADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)nc3F)[C@@H]2C1 ZINC000859196965 655769055 /nfs/dbraw/zinc/76/90/55/655769055.db2.gz NUYLBZNNPORWPY-VHSXEESVSA-N 1 0 378.267 1.698 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000859614958 655788091 /nfs/dbraw/zinc/78/80/91/655788091.db2.gz MKRKEAMVSGUMKY-NSHDSACASA-N 1 0 390.893 1.172 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000859657745 655788400 /nfs/dbraw/zinc/78/84/00/655788400.db2.gz NUIMUWOFUAOTEP-CMPLNLGQSA-N 1 0 375.878 1.635 20 0 GDADRO CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@]1(C)Br)[C@@H]1CCS(=O)(=O)C1 ZINC000860424316 655800286 /nfs/dbraw/zinc/80/02/86/655800286.db2.gz FGELVNLAKVNTPQ-IPYPFGDCSA-N 1 0 395.363 1.517 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1c(Br)nc2n1CCOC2 ZINC000861037138 655812704 /nfs/dbraw/zinc/81/27/04/655812704.db2.gz NUYNDDOGNVUAHX-NSHDSACASA-N 1 0 388.262 1.443 20 0 GDADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2c(I)cnn2C)C1 ZINC000861351448 655819889 /nfs/dbraw/zinc/81/98/89/655819889.db2.gz CSZRITFRWDKQMM-TVQRCGJNSA-N 1 0 393.225 1.291 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000861516797 655824262 /nfs/dbraw/zinc/82/42/62/655824262.db2.gz RRRNIBOAAMQPNW-UHFFFAOYSA-N 1 0 394.269 1.893 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000861542880 655825509 /nfs/dbraw/zinc/82/55/09/655825509.db2.gz UXDQVGKAQDZLJQ-ZETCQYMHSA-N 1 0 395.628 1.689 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000861733660 655829329 /nfs/dbraw/zinc/82/93/29/655829329.db2.gz ZWHPYTVQLOLNOT-AAEUAGOBSA-N 1 0 387.311 1.884 20 0 GDADRO O=C(NCc1ccc(Br)cc1F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861792919 655830733 /nfs/dbraw/zinc/83/07/33/655830733.db2.gz XMASEVMEUITAHM-CYBMUJFWSA-N 1 0 384.249 1.605 20 0 GDADRO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000863565632 655875748 /nfs/dbraw/zinc/87/57/48/655875748.db2.gz PHMRMVBBYAVXOM-AWEZNQCLSA-N 1 0 377.388 1.666 20 0 GDADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000863570392 655875901 /nfs/dbraw/zinc/87/59/01/655875901.db2.gz GGDNROGGVQRRLI-AEFFLSMTSA-N 1 0 399.329 1.688 20 0 GDADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000863570989 655875985 /nfs/dbraw/zinc/87/59/85/655875985.db2.gz OHCWFHRABIECRC-AEFFLSMTSA-N 1 0 399.329 1.688 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000863755175 655879813 /nfs/dbraw/zinc/87/98/13/655879813.db2.gz KOECWCVOIVNYDZ-XPTSAGLGSA-N 1 0 392.258 1.838 20 0 GDADRO C[C@H](C[NH2+]Cc1c(I)cnn1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000864050897 655887887 /nfs/dbraw/zinc/88/78/87/655887887.db2.gz UXNQKNWXHZXOGX-UTUOFQBUSA-N 1 0 392.285 1.612 20 0 GDADRO COCC[N@H+](C)CCNC(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000865123718 655912756 /nfs/dbraw/zinc/91/27/56/655912756.db2.gz PCNIJBIRQPRGDF-OAHLLOKOSA-N 1 0 386.290 1.321 20 0 GDADRO Cc1cc(CNC(=S)N2CC[NH+](CCCOCC(F)(F)F)CC2)no1 ZINC000865231094 655914934 /nfs/dbraw/zinc/91/49/34/655914934.db2.gz UIEYVKMWKJEUFF-UHFFFAOYSA-N 1 0 380.436 1.944 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000865508182 655920858 /nfs/dbraw/zinc/92/08/58/655920858.db2.gz COXXUGUZOLNEBZ-JTQLQIEISA-N 1 0 378.292 1.224 20 0 GDADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000865556515 655921859 /nfs/dbraw/zinc/92/18/59/655921859.db2.gz UILXQVOJGMVZHY-MFKMUULPSA-N 1 0 392.319 1.660 20 0 GDADRO O=C(COc1ccc(Br)cn1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000865789383 655926693 /nfs/dbraw/zinc/92/66/93/655926693.db2.gz YZTUGUXFEDODDN-HNNXBMFYSA-N 1 0 398.301 1.983 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000865868970 655928823 /nfs/dbraw/zinc/92/88/23/655928823.db2.gz RWZBSEFVMJHMHT-UHFFFAOYSA-N 1 0 388.253 1.515 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000866366607 655938501 /nfs/dbraw/zinc/93/85/01/655938501.db2.gz QTZCSNBHIVAVSC-VHSXEESVSA-N 1 0 376.242 1.627 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000866516321 655948017 /nfs/dbraw/zinc/94/80/17/655948017.db2.gz PDCBDBLAWLBLIJ-UHFFFAOYSA-N 1 0 375.535 1.791 20 0 GDADRO COc1ccc([C@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)cc1Br ZINC000866556406 655949453 /nfs/dbraw/zinc/94/94/53/655949453.db2.gz SWVNPHGTVCAHOZ-SJCJKPOMSA-N 1 0 399.285 1.736 20 0 GDADRO COC(=O)c1cc(Cl)ccc1OS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866557831 655949559 /nfs/dbraw/zinc/94/95/59/655949559.db2.gz RYPOFEPLYWDHEN-UHFFFAOYSA-N 1 0 390.889 1.473 20 0 GDADRO Cn1ncc(I)c1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000866631214 655952027 /nfs/dbraw/zinc/95/20/27/655952027.db2.gz IZKMRBNUSCZLKJ-LBPRGKRZSA-N 1 0 390.269 1.368 20 0 GDADRO O=C1N[C@@H]2CN(Cc3ncccc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000866665563 655952834 /nfs/dbraw/zinc/95/28/34/655952834.db2.gz FIHSVFKPIVCNCN-HZPDHXFCSA-N 1 0 394.317 1.564 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000866682361 655954495 /nfs/dbraw/zinc/95/44/95/655954495.db2.gz JSTZOPXLFYPDMI-HZPDHXFCSA-N 1 0 394.607 1.229 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2cc(F)cc(Br)c2)C1 ZINC000866714680 655956277 /nfs/dbraw/zinc/95/62/77/655956277.db2.gz VBUAGDALDWHPSC-KFWWJZLASA-N 1 0 384.249 1.955 20 0 GDADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)nc1F ZINC000866739422 655957757 /nfs/dbraw/zinc/95/77/57/655957757.db2.gz FDROPTLNZVEEEP-UHFFFAOYSA-N 1 0 377.869 1.797 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)NCC2([NH3+])CCOCC2)c1 ZINC000866779139 655962647 /nfs/dbraw/zinc/96/26/47/655962647.db2.gz IRJHTMJTFKPDIH-UHFFFAOYSA-N 1 0 377.304 1.685 20 0 GDADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000866788876 655963781 /nfs/dbraw/zinc/96/37/81/655963781.db2.gz WRSNBBKHHDTEOD-LLVKDONJSA-N 1 0 379.404 1.760 20 0 GDADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000866794220 655964429 /nfs/dbraw/zinc/96/44/29/655964429.db2.gz HWDXHCBMDFLBTH-UHFFFAOYSA-N 1 0 380.438 1.327 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)ccc1Br ZINC000866805600 655965712 /nfs/dbraw/zinc/96/57/12/655965712.db2.gz PHDLBNSAOFCIOF-DTORHVGOSA-N 1 0 377.260 1.251 20 0 GDADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2cc3c(cc2Br)OCCO3)C1 ZINC000866808373 655966078 /nfs/dbraw/zinc/96/60/78/655966078.db2.gz KTQPXGLTFDXYSP-KYZUINATSA-N 1 0 377.260 1.236 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1F ZINC000866822258 655967146 /nfs/dbraw/zinc/96/71/46/655967146.db2.gz APJIFGCWZAIDFF-NWDGAFQWSA-N 1 0 376.837 1.781 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)C(F)(F)F ZINC000866823650 655967249 /nfs/dbraw/zinc/96/72/49/655967249.db2.gz OMFDXRYZWANNSM-CMPLNLGQSA-N 1 0 377.388 1.702 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866824321 655967333 /nfs/dbraw/zinc/96/73/33/655967333.db2.gz LWVSRYIVOMAWRM-MNOVXSKESA-N 1 0 398.428 1.495 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866827963 655967709 /nfs/dbraw/zinc/96/77/09/655967709.db2.gz UGCSVRQBLZJTKQ-UONOGXRCSA-N 1 0 392.930 1.400 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866831587 655968072 /nfs/dbraw/zinc/96/80/72/655968072.db2.gz OGOGZICMRPSNGC-CHWSQXEVSA-N 1 0 392.262 1.806 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866848039 655969932 /nfs/dbraw/zinc/96/99/32/655969932.db2.gz MMSFJLABQQJGET-UHFFFAOYSA-N 1 0 382.313 1.856 20 0 GDADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1nc[nH]c1Br ZINC000866919263 655977156 /nfs/dbraw/zinc/97/71/56/655977156.db2.gz VDDATKYJCJRIJX-UHFFFAOYSA-N 1 0 377.308 1.858 20 0 GDADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cnn(C)c1Br ZINC000866940109 655979495 /nfs/dbraw/zinc/97/94/95/655979495.db2.gz JYOQSBRKNJOLKE-GRYCIOLGSA-N 1 0 393.351 1.827 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1cnn(C)c1Br)[NH+]1CCCCC1 ZINC000867094456 655994682 /nfs/dbraw/zinc/99/46/82/655994682.db2.gz NWALALFCZCFKPI-NSHDSACASA-N 1 0 379.324 1.725 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1Br ZINC000867207097 656013694 /nfs/dbraw/zinc/01/36/94/656013694.db2.gz JFJOXHQCFTXQPO-LLVKDONJSA-N 1 0 379.324 1.581 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000867234126 656019238 /nfs/dbraw/zinc/01/92/38/656019238.db2.gz GOVJBKFMWIEJIU-CQSZACIVSA-N 1 0 377.551 1.893 20 0 GDADRO Cn1nc(I)cc1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000867287154 656031418 /nfs/dbraw/zinc/03/14/18/656031418.db2.gz QITTWTFDINTCMD-UHFFFAOYSA-N 1 0 376.242 1.486 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867362979 656045512 /nfs/dbraw/zinc/04/55/12/656045512.db2.gz YQDGQGODWYFQAI-LBPRGKRZSA-N 1 0 383.290 1.261 20 0 GDADRO O=C(NCCSCCC(F)(F)F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000867380131 656049505 /nfs/dbraw/zinc/04/95/05/656049505.db2.gz CTNQTYJSWHLHLH-CYBMUJFWSA-N 1 0 381.464 1.875 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000867383281 656049934 /nfs/dbraw/zinc/04/99/34/656049934.db2.gz BBRPDKPOUNZMJY-KRWDZBQOSA-N 1 0 376.469 1.992 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000867455114 656064226 /nfs/dbraw/zinc/06/42/26/656064226.db2.gz FNGNTVHIMCHJCJ-WHEQGISXSA-N 1 0 381.951 1.937 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCSCCC(F)(F)F)[C@@H](C)C1 ZINC000867516619 656074639 /nfs/dbraw/zinc/07/46/39/656074639.db2.gz ANRGHRZNOPUYSH-QWHCGFSZSA-N 1 0 383.480 1.977 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Br)cn2)[C@@H](C)C1 ZINC000867518148 656074929 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Cn1nc(I)cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000867851474 656125793 /nfs/dbraw/zinc/12/57/93/656125793.db2.gz UPVDZFOLNQKCDH-UHFFFAOYSA-N 1 0 388.253 1.629 20 0 GDADRO CC(=O)N[C@@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1cccc(Br)c1 ZINC000867978618 656136616 /nfs/dbraw/zinc/13/66/16/656136616.db2.gz QFKNQUQPYOKFHX-WBVHZDCISA-N 1 0 380.286 1.981 20 0 GDADRO [NH3+][C@H](C(=O)N1CC[C@@H](Nc2ncccn2)C1)c1cccc(Br)c1 ZINC000867981036 656136832 /nfs/dbraw/zinc/13/68/32/656136832.db2.gz FXHAJWKFYWDVRQ-KGLIPLIRSA-N 1 0 376.258 1.952 20 0 GDADRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(I)nn1C ZINC000868017459 656137703 /nfs/dbraw/zinc/13/77/03/656137703.db2.gz WFVOPOVDXSITHF-UHFFFAOYSA-N 1 0 376.242 1.583 20 0 GDADRO Cn1ncc(I)c1CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000868052280 656138698 /nfs/dbraw/zinc/13/86/98/656138698.db2.gz OKKFAEQHRNFPFS-CYBMUJFWSA-N 1 0 396.232 1.876 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868117535 656141469 /nfs/dbraw/zinc/14/14/69/656141469.db2.gz 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ZINC000868386699 656153226 /nfs/dbraw/zinc/15/32/26/656153226.db2.gz IGPUYTBDJWKVKH-AWEZNQCLSA-N 1 0 384.274 1.203 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868422802 656155072 /nfs/dbraw/zinc/15/50/72/656155072.db2.gz WAQBTCBDTGKOPV-LSDHHAIUSA-N 1 0 380.286 1.760 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)N[C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)CC1 ZINC000868457636 656156632 /nfs/dbraw/zinc/15/66/32/656156632.db2.gz ZRILKGADVYHOKK-IKGGRYGDSA-N 1 0 384.615 1.787 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1I ZINC000868522019 656159016 /nfs/dbraw/zinc/15/90/16/656159016.db2.gz YILQBCCNLKDKNW-JQWIXIFHSA-N 1 0 388.253 1.845 20 0 GDADRO COCC[N@@H+]1CCN(C(=O)Cn2ccc(Br)cc2=O)C(C)(C)C1 ZINC000869159080 656182936 /nfs/dbraw/zinc/18/29/36/656182936.db2.gz ZYIOYFDTQFHVOA-UHFFFAOYSA-N 1 0 386.290 1.180 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCCN(C(=O)C2CC2)CC1)c1cccc(Br)c1 ZINC000870917789 656255307 /nfs/dbraw/zinc/25/53/07/656255307.db2.gz ATMKSNLFFOUASH-OAHLLOKOSA-N 1 0 380.286 1.920 20 0 GDADRO CCOC(=O)CN1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870919828 656255358 /nfs/dbraw/zinc/25/53/58/656255358.db2.gz JBQMEOPXJYRSPP-MRXNPFEDSA-N 1 0 398.301 1.546 20 0 GDADRO CC(C)n1ncc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1I ZINC000870937793 656256787 /nfs/dbraw/zinc/25/67/87/656256787.db2.gz AZGBDDQWSXDNCB-KOLCDFICSA-N 1 0 392.241 1.257 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1I ZINC000870942736 656257380 /nfs/dbraw/zinc/25/73/80/656257380.db2.gz TYPWIEDFVXXLLE-UWVGGRQHSA-N 1 0 376.242 1.939 20 0 GDADRO [NH3+][C@H](C(=O)N1CC[C@H](CN2CCCC2=O)C1)c1cccc(Br)c1 ZINC000870956712 656259086 /nfs/dbraw/zinc/25/90/86/656259086.db2.gz FVHYREGXWHHVOL-WBMJQRKESA-N 1 0 380.286 1.920 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000870968187 656259293 /nfs/dbraw/zinc/25/92/93/656259293.db2.gz CGELZUCRKQLGKI-KLPPZKSPSA-N 1 0 379.258 1.403 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973558 656259510 /nfs/dbraw/zinc/25/95/10/656259510.db2.gz AHMLQEVFZATZTO-RJZRQDKASA-N 1 0 385.917 1.654 20 0 GDADRO O=C(c1csc(Br)c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871002095 656259933 /nfs/dbraw/zinc/25/99/33/656259933.db2.gz LGZDOBAGCGYERO-AXFHLTTASA-N 1 0 386.271 1.518 20 0 GDADRO COC[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000871008890 656260283 /nfs/dbraw/zinc/26/02/83/656260283.db2.gz NTXWCMBOCVLRTC-GJZGRUSLSA-N 1 0 398.301 1.511 20 0 GDADRO Brc1cnc2nc(-c3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)nn2c1 ZINC000871795522 656279810 /nfs/dbraw/zinc/27/98/10/656279810.db2.gz UCAFVQGJSQJNFW-RSMPGPOFSA-N 1 0 376.218 1.935 20 0 GDADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000871807489 656280462 /nfs/dbraw/zinc/28/04/62/656280462.db2.gz VCGGWCMZNOIONK-FATZIPQQSA-N 1 0 381.564 1.218 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000871811055 656281167 /nfs/dbraw/zinc/28/11/67/656281167.db2.gz RDXVIBNDPWELJF-HNNXBMFYSA-N 1 0 388.917 1.923 20 0 GDADRO COC(=O)c1ccc(C)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000871811682 656281350 /nfs/dbraw/zinc/28/13/50/656281350.db2.gz QLDUOJFGFKFLKE-NEPJUHHUSA-N 1 0 380.388 1.539 20 0 GDADRO COC(=O)c1ccc(C)c(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000871811685 656281354 /nfs/dbraw/zinc/28/13/54/656281354.db2.gz QLDUOJFGFKFLKE-RYUDHWBXSA-N 1 0 380.388 1.539 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc3c2OCCCO3)C[C@@H]1C(F)(F)F ZINC000871813058 656281913 /nfs/dbraw/zinc/28/19/13/656281913.db2.gz OJTXRWQMCLHRLO-MNOVXSKESA-N 1 0 380.388 1.606 20 0 GDADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000871813912 656282268 /nfs/dbraw/zinc/28/22/68/656282268.db2.gz LFWLZQQGKJKDRI-GHMZBOCLSA-N 1 0 382.404 1.770 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cncc(Br)c2)C[C@H]1C(F)(F)F ZINC000871813975 656282529 /nfs/dbraw/zinc/28/25/29/656282529.db2.gz NEFGXELGDWALHQ-OIBJUYFYSA-N 1 0 388.209 1.602 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)C[C@@H]1C(F)(F)F ZINC000871814258 656282625 /nfs/dbraw/zinc/28/26/25/656282625.db2.gz RLBBOTALTRIOEI-RQJHMYQMSA-N 1 0 377.182 1.800 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cc(Br)cc3c1OCC3)C2 ZINC000871814555 656282893 /nfs/dbraw/zinc/28/28/93/656282893.db2.gz AATIGTLFKGFLDT-XHDPSFHLSA-N 1 0 387.299 1.614 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c1F ZINC000871820416 656283993 /nfs/dbraw/zinc/28/39/93/656283993.db2.gz ORVYJDNKRVKCTP-IUODEOHRSA-N 1 0 376.837 1.829 20 0 GDADRO CCOC(=O)c1ccsc1NC(=O)CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872153091 656318853 /nfs/dbraw/zinc/31/88/53/656318853.db2.gz YLYREKFELCRKEA-MWLCHTKSSA-N 1 0 379.404 1.932 20 0 GDADRO COCCN(C(C)=O)c1nc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cs1 ZINC000872152411 656318901 /nfs/dbraw/zinc/31/89/01/656318901.db2.gz QUNPYOVMTIUWKQ-WCQYABFASA-N 1 0 380.436 1.711 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C(=O)N1c1cnn(C)c1 ZINC000872203576 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O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCOc2cccc(Br)c2C1 ZINC000923653866 656579911 /nfs/dbraw/zinc/57/99/11/656579911.db2.gz DUSOBVVWZSRGBV-LLVKDONJSA-N 1 0 375.288 1.725 20 0 GDADRO COc1c(F)cc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1F ZINC000923647109 656579940 /nfs/dbraw/zinc/57/99/40/656579940.db2.gz USVYPJYTPFIIBD-CABCVRRESA-N 1 0 376.425 1.490 20 0 GDADRO COC(=O)[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000923655785 656580336 /nfs/dbraw/zinc/58/03/36/656580336.db2.gz URIWVMKDEPNFSR-GWCFXTLKSA-N 1 0 391.287 1.335 20 0 GDADRO COC(=O)[C@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000923655788 656580416 /nfs/dbraw/zinc/58/04/16/656580416.db2.gz URIWVMKDEPNFSR-ZWNOBZJWSA-N 1 0 391.287 1.335 20 0 GDADRO O=S(=O)(NCc1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000923673222 656581943 /nfs/dbraw/zinc/58/19/43/656581943.db2.gz HMOGMIDRMZYALL-OAHLLOKOSA-N 1 0 399.314 1.806 20 0 GDADRO O=S(=O)(NCCCCCN1CC[NH2+]CC1)c1cnccc1C(F)(F)F ZINC000923681035 656583578 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MYEZTHBTNLLISM-LBPRGKRZSA-N 1 0 376.320 1.519 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000884179616 657333298 /nfs/dbraw/zinc/33/32/98/657333298.db2.gz VLMJEAVLXIYTAG-JKSUJKDBSA-N 1 0 382.302 1.772 20 0 GDADRO CCN(C(=O)C(=O)NCc1ccc(Br)cc1F)[C@H]1CC[N@H+](C)C1 ZINC000934128751 657339402 /nfs/dbraw/zinc/33/94/02/657339402.db2.gz SFTAHBDZVSTCLX-ZDUSSCGKSA-N 1 0 386.265 1.757 20 0 GDADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1nn2c(c1Br)CCC2 ZINC000884249335 657339761 /nfs/dbraw/zinc/33/97/61/657339761.db2.gz JIARMNQHNQYVBX-UHFFFAOYSA-N 1 0 379.262 1.965 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000884322210 657345694 /nfs/dbraw/zinc/34/56/94/657345694.db2.gz HYCMFCBDLHDTBZ-ZIAGYGMSSA-N 1 0 380.286 1.694 20 0 GDADRO C[NH2+]CCOc1ccccc1C(=O)N1CCn2c(Br)cnc2C1 ZINC000884325006 657346274 /nfs/dbraw/zinc/34/62/74/657346274.db2.gz GTDBONLESHDMDW-UHFFFAOYSA-N 1 0 379.258 1.900 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3nn4c(c3Br)CCC4)C2)nn1 ZINC000884340414 657348790 /nfs/dbraw/zinc/34/87/90/657348790.db2.gz IZUDDRWRTCNNHK-LLVKDONJSA-N 1 0 394.277 1.119 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C[C@H]1C[NH3+] ZINC000884340021 657348842 /nfs/dbraw/zinc/34/88/42/657348842.db2.gz BTHSUGNQXRDXAG-IXPVHAAZSA-N 1 0 381.270 1.974 20 0 GDADRO C[C@@H]1C[C@H](C)N(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C[C@H]1C[NH3+] ZINC000884346958 657349678 /nfs/dbraw/zinc/34/96/78/657349678.db2.gz FNHLXNPYZKXGLW-XJFOESAGSA-N 1 0 385.555 1.420 20 0 GDADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000884353899 657350326 /nfs/dbraw/zinc/35/03/26/657350326.db2.gz IJQPWQOEUCSCJE-VXGBXAGGSA-N 1 0 389.568 1.341 20 0 GDADRO C[C@@H]1CSCCC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000934299104 657351503 /nfs/dbraw/zinc/35/15/03/657351503.db2.gz CRPBTVBQJUYQPD-CQSZACIVSA-N 1 0 385.555 1.210 20 0 GDADRO COCC[C@H]([NH3+])C(=O)N[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000884434620 657356464 /nfs/dbraw/zinc/35/64/64/657356464.db2.gz RORCFJWTEFHGBC-WMLDXEAASA-N 1 0 399.285 1.330 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1Cc3ccc(Br)cc3C(=O)O1)C2 ZINC000884442567 657357175 /nfs/dbraw/zinc/35/71/75/657357175.db2.gz JIMLHPQKBFLDKN-JCGIZDLHSA-N 1 0 393.281 1.989 20 0 GDADRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2c(Br)cnn2C2CC2)CC1 ZINC000934375749 657359265 /nfs/dbraw/zinc/35/92/65/657359265.db2.gz CKAPPLPTCANVIO-UHFFFAOYSA-N 1 0 386.294 1.901 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934375784 657359282 /nfs/dbraw/zinc/35/92/82/657359282.db2.gz ONUAVXXSGMNWBH-LLVKDONJSA-N 1 0 385.310 1.738 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000884515869 657362296 /nfs/dbraw/zinc/36/22/96/657362296.db2.gz VDKCYTOLDMFZJJ-OAHLLOKOSA-N 1 0 382.302 1.708 20 0 GDADRO O=C(NCc1sccc1Br)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884544674 657363866 /nfs/dbraw/zinc/36/38/66/657363866.db2.gz MSMNLSTYSXTKII-QMMMGPOBSA-N 1 0 396.257 1.488 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000884622356 657367825 /nfs/dbraw/zinc/36/78/25/657367825.db2.gz LQJHQTWGFCCDSM-SNVBAGLBSA-N 1 0 378.420 1.421 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1nc(C)cs1 ZINC000884642947 657368349 /nfs/dbraw/zinc/36/83/49/657368349.db2.gz TZEFQTBJPABGBO-DCAQKATOSA-N 1 0 378.420 1.614 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000884676688 657370527 /nfs/dbraw/zinc/37/05/27/657370527.db2.gz VDMQGGSFBVHKSN-UHFFFAOYSA-N 1 0 375.803 1.816 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1Br ZINC000884683656 657370860 /nfs/dbraw/zinc/37/08/60/657370860.db2.gz KOUVWKXIOFCFCI-JSGCOSHPSA-N 1 0 382.302 1.878 20 0 GDADRO COC[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000884688995 657372291 /nfs/dbraw/zinc/37/22/91/657372291.db2.gz VXNUACAONKFDPI-KGLIPLIRSA-N 1 0 384.274 1.121 20 0 GDADRO O=C1OCCN1CCC[NH2+][C@@H](CO)c1ccccc1I ZINC000934828064 657380815 /nfs/dbraw/zinc/38/08/15/657380815.db2.gz FWLGAAFTCNWFHO-ZDUSSCGKSA-N 1 0 390.221 1.757 20 0 GDADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884822779 657381568 /nfs/dbraw/zinc/38/15/68/657381568.db2.gz FIFXLPFZBQMNTR-VIFPVBQESA-N 1 0 385.358 1.744 20 0 GDADRO CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2ccns2)CC1 ZINC000884935552 657388655 /nfs/dbraw/zinc/38/86/55/657388655.db2.gz XLMRLXWJURMKJF-UHFFFAOYSA-N 1 0 380.539 1.759 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000884958838 657390353 /nfs/dbraw/zinc/39/03/53/657390353.db2.gz FGSFZNYREZSMID-DAOMAXFVSA-N 1 0 386.543 1.451 20 0 GDADRO C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc(I)cc1 ZINC000935053206 657396027 /nfs/dbraw/zinc/39/60/27/657396027.db2.gz YRGRIWNYDLJIBH-NHYWBVRUSA-N 1 0 390.265 1.824 20 0 GDADRO O=C(NCCSCCC(F)(F)F)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884990334 657396925 /nfs/dbraw/zinc/39/69/25/657396925.db2.gz DZXPUBMFIQQPJC-HNNXBMFYSA-N 1 0 381.464 1.780 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(Br)[nH]c2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000935153933 657407563 /nfs/dbraw/zinc/40/75/63/657407563.db2.gz BZUCEEBCRPXZMJ-TZMCWYRMSA-N 1 0 397.317 1.648 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2ncc(Br)s2)CC[C@@H]1[NH3+] ZINC000885032155 657410260 /nfs/dbraw/zinc/41/02/60/657410260.db2.gz UENHONKAYLKMRG-IUCAKERBSA-N 1 0 375.292 1.108 20 0 GDADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000935269769 657418857 /nfs/dbraw/zinc/41/88/57/657418857.db2.gz GNJMMOXRVORJMH-UHFFFAOYSA-N 1 0 382.262 1.068 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000885109063 657421639 /nfs/dbraw/zinc/42/16/39/657421639.db2.gz GDDZGLCXRXOFQZ-VIFPVBQESA-N 1 0 378.782 1.438 20 0 GDADRO CS[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000935369817 657427278 /nfs/dbraw/zinc/42/72/78/657427278.db2.gz YHYZNCONNABZDF-QWRGUYRKSA-N 1 0 393.918 1.232 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1nc(Br)c2ccccn21 ZINC000935446388 657433918 /nfs/dbraw/zinc/43/39/18/657433918.db2.gz UBIVPFSAUTZPPD-ZDUSSCGKSA-N 1 0 394.317 1.853 20 0 GDADRO O=C(N1CCC[C@H]([NH+]2CCOCC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000935814847 657490031 /nfs/dbraw/zinc/49/00/31/657490031.db2.gz YXJZVMRLTFWGHW-HNNXBMFYSA-N 1 0 397.317 1.848 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Br)c2nccnc2c1 ZINC000935916171 657518978 /nfs/dbraw/zinc/51/89/78/657518978.db2.gz VRUJLODGISOUNX-ZDUSSCGKSA-N 1 0 393.285 1.969 20 0 GDADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ncc(Br)cn1 ZINC000936011983 657541409 /nfs/dbraw/zinc/54/14/09/657541409.db2.gz DUYWQIHATFPJQO-UHFFFAOYSA-N 1 0 394.273 1.895 20 0 GDADRO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)c1nc(Cl)cs1 ZINC000945963843 657557977 /nfs/dbraw/zinc/55/79/77/657557977.db2.gz GAPWJOYMTQCPKX-DDHJBXDOSA-N 1 0 386.905 1.092 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc2ncc(Br)cn2n1 ZINC000885893787 657584615 /nfs/dbraw/zinc/58/46/15/657584615.db2.gz WWBYZFKWAJIBBR-CYBMUJFWSA-N 1 0 394.273 1.475 20 0 GDADRO O=C(COc1ccc(Br)cn1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885893818 657585637 /nfs/dbraw/zinc/58/56/37/657585637.db2.gz XMNLQXJANYJHAM-CQSZACIVSA-N 1 0 384.274 1.592 20 0 GDADRO COc1ccc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c(Br)c1 ZINC000886320660 657643000 /nfs/dbraw/zinc/64/30/00/657643000.db2.gz ADVALCQLCCBEQI-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO CCN(C(=O)CN(CC[NH3+])Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000886862001 657711544 /nfs/dbraw/zinc/71/15/44/657711544.db2.gz UMPCTCAJMJNTQQ-MRXNPFEDSA-N 1 0 387.933 1.136 20 0 GDADRO COCCOc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc1Br ZINC000886884243 657716584 /nfs/dbraw/zinc/71/65/84/657716584.db2.gz ZGRCDIWWHJZDDK-CYBMUJFWSA-N 1 0 395.319 1.736 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nc(Cl)cs2)C1 ZINC001004359331 657716684 /nfs/dbraw/zinc/71/66/84/657716684.db2.gz HEWFPUAXTZGSHX-LPWJVIDDSA-N 1 0 382.917 2.000 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC ZINC000886890863 657719791 /nfs/dbraw/zinc/71/97/91/657719791.db2.gz WRPIXPXPGHIQBX-LLVKDONJSA-N 1 0 380.388 1.865 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c(OC)c1 ZINC000886898018 657723940 /nfs/dbraw/zinc/72/39/40/657723940.db2.gz PDKASHLWCNQQCU-JTQLQIEISA-N 1 0 380.413 1.236 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c(OC)c1 ZINC000886898019 657724157 /nfs/dbraw/zinc/72/41/57/657724157.db2.gz PDKASHLWCNQQCU-SNVBAGLBSA-N 1 0 380.413 1.236 20 0 GDADRO CCN(C(=O)C(=O)Nc1ccc(I)cc1)[C@@H]1CC[NH2+]C1 ZINC000886987185 657731844 /nfs/dbraw/zinc/73/18/44/657731844.db2.gz SUIINXFDPYEATB-GFCCVEGCSA-N 1 0 387.221 1.440 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)Nc1ccc(Br)cc1 ZINC000887032607 657740512 /nfs/dbraw/zinc/74/05/12/657740512.db2.gz GJQKIBJGHQYHFH-VIFPVBQESA-N 1 0 376.201 1.749 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4ncc(Cl)s4)[C@@H]3C2)CC[N@@H+]1C ZINC001022139243 657741158 /nfs/dbraw/zinc/74/11/58/657741158.db2.gz KLEXWCBTCKBFPG-YVECIDJPSA-N 1 0 382.917 1.810 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC000887035797 657741335 /nfs/dbraw/zinc/74/13/35/657741335.db2.gz XKGVVNFKOAHCLE-VIFPVBQESA-N 1 0 391.216 1.452 20 0 GDADRO Cn1ncc(Br)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001022455292 657741356 /nfs/dbraw/zinc/74/13/56/657741356.db2.gz OSGGMIAXMXSUQK-GGMAPDKFSA-N 1 0 395.301 1.343 20 0 GDADRO Cn1ncc(NC(=O)COC2CC[NH+](C)CC2)c1I ZINC000887063794 657744678 /nfs/dbraw/zinc/74/46/78/657744678.db2.gz PDZGXUOTMKDPHZ-UHFFFAOYSA-N 1 0 378.214 1.074 20 0 GDADRO C[C@@H]1CN(c2nnc(C(F)(F)F)s2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001042584959 657758598 /nfs/dbraw/zinc/75/85/98/657758598.db2.gz LWPZZIHTMPXFFI-GWOFURMSSA-N 1 0 377.436 1.838 20 0 GDADRO [NH3+][C@H]1CCCN(Cc2cn(C[C@H](O)c3cccc(Br)c3)nn2)C1 ZINC000887448882 657784337 /nfs/dbraw/zinc/78/43/37/657784337.db2.gz IXHYVUXMAURVCF-HOCLYGCPSA-N 1 0 380.290 1.697 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)C[C@]2(C)C1 ZINC000887938866 657850248 /nfs/dbraw/zinc/85/02/48/657850248.db2.gz CYKAGWVZDBDLPC-DYVFJYSZSA-N 1 0 380.286 1.589 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cs1)C(N)=O ZINC000888221191 657875140 /nfs/dbraw/zinc/87/51/40/657875140.db2.gz QCDYYGPWCUXQBB-MJBXVCDLSA-N 1 0 382.555 1.785 20 0 GDADRO CN1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC[N@H+](C)CC1 ZINC000888994079 657965699 /nfs/dbraw/zinc/96/56/99/657965699.db2.gz UDICOVIVHWDAQK-UHFFFAOYSA-N 1 0 384.274 1.497 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1nn2c(c1Br)CCC2 ZINC000889656144 658016483 /nfs/dbraw/zinc/01/64/83/658016483.db2.gz WCSIORGXPGYWTJ-DYEKYZERSA-N 1 0 397.317 1.916 20 0 GDADRO CCOC(=O)c1nc2c(Br)cccn2c1NC(=O)NCC[NH+](C)C ZINC000889662445 658016851 /nfs/dbraw/zinc/01/68/51/658016851.db2.gz DLSJSYRVCVKNMK-UHFFFAOYSA-N 1 0 398.261 1.957 20 0 GDADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889774046 658037035 /nfs/dbraw/zinc/03/70/35/658037035.db2.gz MAXBVVUJBGJZNC-KGLIPLIRSA-N 1 0 397.269 1.849 20 0 GDADRO C[NH+]1CCC(CC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000889812610 658045658 /nfs/dbraw/zinc/04/56/58/658045658.db2.gz BWRQBTJTXGVAHM-CYBMUJFWSA-N 1 0 381.274 1.555 20 0 GDADRO O=C(N[C@@H]1Cc2cc(Br)cnc2NC1=O)C1CC[NH+](C2CC2)CC1 ZINC000889814102 658050121 /nfs/dbraw/zinc/05/01/21/658050121.db2.gz UFZOJHGRNZUYOU-CQSZACIVSA-N 1 0 393.285 1.698 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@](C)(CO)c2cccc(Br)c2)C1 ZINC000890629955 658131500 /nfs/dbraw/zinc/13/15/00/658131500.db2.gz HMZPUWYJBLYQDF-IAGOWNOFSA-N 1 0 385.302 1.620 20 0 GDADRO CC[NH+](CC)CCNC(=O)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000891415180 658236859 /nfs/dbraw/zinc/23/68/59/658236859.db2.gz GWKLPRARYLMUHN-TZMCWYRMSA-N 1 0 385.452 1.479 20 0 GDADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891444292 658240355 /nfs/dbraw/zinc/24/03/55/658240355.db2.gz GYBHUHKFMPTSQZ-TXEJJXNPSA-N 1 0 382.258 1.866 20 0 GDADRO O=C(NCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)c1cccc(Br)c1 ZINC000891472182 658242555 /nfs/dbraw/zinc/24/25/55/658242555.db2.gz MZPHNCZELIOMNA-CABCVRRESA-N 1 0 395.301 1.715 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000891538752 658249235 /nfs/dbraw/zinc/24/92/35/658249235.db2.gz UOEGHWRJMNPQKY-TZMCWYRMSA-N 1 0 397.317 1.929 20 0 GDADRO COC(=O)c1cc(Br)c(N2CCN(C(=O)C[NH+](C)C)CC2)nc1C ZINC000891763959 658270737 /nfs/dbraw/zinc/27/07/37/658270737.db2.gz GICKMBIMVUKBKE-UHFFFAOYSA-N 1 0 399.289 1.149 20 0 GDADRO CCCS(=O)(=O)N1CCC(NC(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000891804333 658275310 /nfs/dbraw/zinc/27/53/10/658275310.db2.gz TWWXWIYUMTVURI-UHFFFAOYSA-N 1 0 376.567 1.420 20 0 GDADRO C[C@]1(Br)C[C@H]1CN1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000891924951 658283083 /nfs/dbraw/zinc/28/30/83/658283083.db2.gz YNAYZUGWZRAUPF-YOEHRIQHSA-N 1 0 391.317 1.953 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1c(I)cnn1C ZINC000892038767 658293355 /nfs/dbraw/zinc/29/33/55/658293355.db2.gz ZFNCHWXSCJMVFJ-VIFPVBQESA-N 1 0 379.246 1.197 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000892113664 658297639 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COCC[N@H+](C)CCNC(=O)N[C@](C)(CO)c1cccc(Br)c1 ZINC000892686971 658342204 /nfs/dbraw/zinc/34/22/04/658342204.db2.gz GMNATMSCCNFKKM-MRXNPFEDSA-N 1 0 388.306 1.534 20 0 GDADRO CS(=O)(=O)C1CC([NH2+]CCCNC(=O)c2cccc(Br)c2)C1 ZINC000892785637 658349507 /nfs/dbraw/zinc/34/95/07/658349507.db2.gz NITBNCVQQFEIQR-UHFFFAOYSA-N 1 0 389.315 1.734 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2nn3c(c2Br)CCC3)CCO1 ZINC000893050440 658370646 /nfs/dbraw/zinc/37/06/46/658370646.db2.gz NFHIMSBFCSYHAP-GFCCVEGCSA-N 1 0 385.306 1.775 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)c(C)s1 ZINC000893210425 658385322 /nfs/dbraw/zinc/38/53/22/658385322.db2.gz ZHYFSHHPRWYFIY-UONOGXRCSA-N 1 0 392.518 1.867 20 0 GDADRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ncc(Br)cc1O)C(F)(F)F ZINC000893344327 658396244 /nfs/dbraw/zinc/39/62/44/658396244.db2.gz UIGRJLPHDYNDPG-LBPRGKRZSA-N 1 0 395.179 1.823 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCCC[N@@H+]1CCO[C@@H](C)C1 ZINC000893387337 658399026 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ZINC000894242238 658526214 /nfs/dbraw/zinc/52/62/14/658526214.db2.gz HTUFSBLAGWRCJB-UHFFFAOYSA-N 1 0 376.242 1.517 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894242936 658526237 /nfs/dbraw/zinc/52/62/37/658526237.db2.gz CNAVDFAGSFNATP-UHFFFAOYSA-N 1 0 394.950 1.148 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000894360422 658545183 /nfs/dbraw/zinc/54/51/83/658545183.db2.gz VOXWUYMPPBHKPG-LBPRGKRZSA-N 1 0 389.212 1.857 20 0 GDADRO OCC[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)C1CCOCC1 ZINC000894470892 658565173 /nfs/dbraw/zinc/56/51/73/658565173.db2.gz XDLWXIHGETZVNS-CYBMUJFWSA-N 1 0 375.922 1.900 20 0 GDADRO Cc1[nH+]c2cc(NCc3nc(Br)c[nH]3)ccc2n1C(CO)CO ZINC000894763967 658608319 /nfs/dbraw/zinc/60/83/19/658608319.db2.gz RHTJDFLMACVVTM-UHFFFAOYSA-N 1 0 380.246 1.968 20 0 GDADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000894787917 658612876 /nfs/dbraw/zinc/61/28/76/658612876.db2.gz XEDWXQPPTZQYIB-FPMFFAJLSA-N 1 0 382.473 1.423 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894798337 658614869 /nfs/dbraw/zinc/61/48/69/658614869.db2.gz BVGZRGLHOCZQQV-HIFRSBDPSA-N 1 0 391.921 1.837 20 0 GDADRO Cn1nc(Br)nc1C[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000894984902 658644211 /nfs/dbraw/zinc/64/42/11/658644211.db2.gz NLCOBCKSBAKYGP-SNVBAGLBSA-N 1 0 375.267 1.083 20 0 GDADRO C[N@H+](CCO)CCNc1ncnc2c1cnn2-c1cccc(Br)c1 ZINC000895241926 658678467 /nfs/dbraw/zinc/67/84/67/658678467.db2.gz UGAZRJYIAIGYTF-UHFFFAOYSA-N 1 0 391.273 1.914 20 0 GDADRO COC(=O)[C@@]1(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C[C@@H]1S(C)(=O)=O ZINC000895510332 658706852 /nfs/dbraw/zinc/70/68/52/658706852.db2.gz NTEWMJAXWHOZMK-GXTWGEPZSA-N 1 0 381.372 1.477 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000895674373 658718764 /nfs/dbraw/zinc/71/87/64/658718764.db2.gz YQJUHQGEFNJALP-SOUVJXGZSA-N 1 0 375.535 1.551 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)C1 ZINC000895842838 658733204 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GDADRO C[C@@H]1C[C@H](C[NH2+]C(C)(C)CNS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000896727513 658804876 /nfs/dbraw/zinc/80/48/76/658804876.db2.gz ZSRZDVMWJWZXFR-ZIAGYGMSSA-N 1 0 377.551 1.939 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]nc2I)C1 ZINC000896746686 658805881 /nfs/dbraw/zinc/80/58/81/658805881.db2.gz VSAWAYZNIBQOEA-SNVBAGLBSA-N 1 0 376.242 1.818 20 0 GDADRO COc1cc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)ccc1OCC(F)(F)F ZINC000897057922 658822311 /nfs/dbraw/zinc/82/23/11/658822311.db2.gz KGUWSCBYSBZPJB-GFCCVEGCSA-N 1 0 382.404 1.747 20 0 GDADRO C[NH+](C)CC1CCC(NC(=O)c2c[nH]nc2I)CC1 ZINC000897157765 658829974 /nfs/dbraw/zinc/82/99/74/658829974.db2.gz NJKKDQASYOYVSY-UHFFFAOYSA-N 1 0 376.242 1.865 20 0 GDADRO C[C@H]1CN(C(=O)c2cn(C)nc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000897264256 658836458 /nfs/dbraw/zinc/83/64/58/658836458.db2.gz WVZXGDBDQCKQAL-GXTWGEPZSA-N 1 0 384.322 1.281 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H](c2nccs2)C1)c1cccs1 ZINC000897339935 658844062 /nfs/dbraw/zinc/84/40/62/658844062.db2.gz JNLJADCIJKHCFO-QWHCGFSZSA-N 1 0 378.523 1.940 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H](c2nccs2)C1)c1cccs1 ZINC000897339937 658844106 /nfs/dbraw/zinc/84/41/06/658844106.db2.gz JNLJADCIJKHCFO-STQMWFEESA-N 1 0 378.523 1.940 20 0 GDADRO C[C@H]([NH2+]CCCONC(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000897425416 658852770 /nfs/dbraw/zinc/85/27/70/658852770.db2.gz RRUXHJDNOHTIDZ-ZDUSSCGKSA-N 1 0 379.523 1.483 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897440482 658852777 /nfs/dbraw/zinc/85/27/77/658852777.db2.gz WQVRYLVKUGFXQA-RHSMWYFYSA-N 1 0 399.285 1.350 20 0 GDADRO C[C@@H]1CC[N@H+](CCNC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)C1 ZINC000897472939 658855557 /nfs/dbraw/zinc/85/55/57/658855557.db2.gz UQTVSQPLXXCASX-MFKMUULPSA-N 1 0 396.289 1.348 20 0 GDADRO CCN1CC[C@H]1CNC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000897563922 658864562 /nfs/dbraw/zinc/86/45/62/658864562.db2.gz SNTLPQDZWXARDT-LBPRGKRZSA-N 1 0 388.693 1.929 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000897587021 658868108 /nfs/dbraw/zinc/86/81/08/658868108.db2.gz CVMBHGLIBQUEHN-UHFFFAOYSA-N 1 0 388.253 1.927 20 0 GDADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000897649707 658877026 /nfs/dbraw/zinc/87/70/26/658877026.db2.gz JPGIDFDUFHAANG-LXTVHRRPSA-N 1 0 376.519 1.566 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000897717177 658882717 /nfs/dbraw/zinc/88/27/17/658882717.db2.gz QCTAEZNICRDNDY-CYBMUJFWSA-N 1 0 387.311 1.014 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897767524 658888776 /nfs/dbraw/zinc/88/87/76/658888776.db2.gz YPMYTCRCGFYNQB-DZGCQCFKSA-N 1 0 397.269 1.104 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897767525 658889316 /nfs/dbraw/zinc/88/93/16/658889316.db2.gz YPMYTCRCGFYNQB-HIFRSBDPSA-N 1 0 397.269 1.104 20 0 GDADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000897816685 658891850 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O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC([NH+]2CCCC2)C1 ZINC000898613392 658942061 /nfs/dbraw/zinc/94/20/61/658942061.db2.gz FWENQACQRNHMKI-HNNXBMFYSA-N 1 0 383.539 1.598 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000899134745 658986412 /nfs/dbraw/zinc/98/64/12/658986412.db2.gz OHHZCFYTFRIMJQ-SNVBAGLBSA-N 1 0 376.242 1.784 20 0 GDADRO Nc1cc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc(Br)n1 ZINC000899200521 658994757 /nfs/dbraw/zinc/99/47/57/658994757.db2.gz MSUCQDNNSQABRG-ZDUSSCGKSA-N 1 0 383.290 1.800 20 0 GDADRO O=S1(=O)CC[C@H](c2nc(-c3cn(C[C@@H]4CCCC[NH2+]C4)nn3)cs2)C1 ZINC000899755769 659059184 /nfs/dbraw/zinc/05/91/84/659059184.db2.gz YNGPKEQDJZGWHI-OLZOCXBDSA-N 1 0 381.527 1.693 20 0 GDADRO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C1CCC1 ZINC000899991097 659082574 /nfs/dbraw/zinc/08/25/74/659082574.db2.gz ZHXQLIDLGJYHOB-UHFFFAOYSA-N 1 0 379.404 1.950 20 0 GDADRO C[NH+](C)C[C@H]1NC(=O)N(c2ccnn2Cc2ccc(Br)cc2)C1=O ZINC000900212995 659091746 /nfs/dbraw/zinc/09/17/46/659091746.db2.gz BGIHIZLSCKGZRY-CYBMUJFWSA-N 1 0 392.257 1.680 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900468988 659112331 /nfs/dbraw/zinc/11/23/31/659112331.db2.gz ZVVOIBPCBXONLO-KRWDZBQOSA-N 1 0 398.301 1.659 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2ncc(Br)cn2n1 ZINC000900586214 659124190 /nfs/dbraw/zinc/12/41/90/659124190.db2.gz KUHPNXHNUBFETJ-ZDUSSCGKSA-N 1 0 396.289 1.675 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000900836388 659151696 /nfs/dbraw/zinc/15/16/96/659151696.db2.gz OGGHJUWAZAPPKM-UHFFFAOYSA-N 1 0 377.272 1.203 20 0 GDADRO O=C([C@@H](O)c1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000900967381 659175097 /nfs/dbraw/zinc/17/50/97/659175097.db2.gz XRTANYQVJJLQJA-BBRMVZONSA-N 1 0 383.286 1.663 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000901071127 659186070 /nfs/dbraw/zinc/18/60/70/659186070.db2.gz YTLHDFBZQLTPEQ-GLKRBJQHSA-N 1 0 377.268 1.304 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1nccnc1SC)[C@@H]1CCS(=O)(=O)C1 ZINC000901211961 659202760 /nfs/dbraw/zinc/20/27/60/659202760.db2.gz JMEYNWVAXQFIQY-CYBMUJFWSA-N 1 0 386.543 1.170 20 0 GDADRO CS[C@H]1CN(C(=O)c2cc3ncc(Br)cn3n2)C[C@@H]1[NH+](C)C ZINC000901229670 659204662 /nfs/dbraw/zinc/20/46/62/659204662.db2.gz KGRRUDGMCOODLR-RYUDHWBXSA-N 1 0 384.303 1.609 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NC(=O)NC(C)(C)C ZINC000901730359 659231902 /nfs/dbraw/zinc/23/19/02/659231902.db2.gz VVRZCSDQKYXFQV-ZJUUUORDSA-N 1 0 386.294 1.563 20 0 GDADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cn1c(=O)oc3cc(Br)ccc31)C2 ZINC000902618040 659267936 /nfs/dbraw/zinc/26/79/36/659267936.db2.gz YZUGSYVYZVCSRS-QFYYESIMSA-N 1 0 380.242 1.902 20 0 GDADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@]1(F)CCS(=O)(=O)C1 ZINC000902991503 659287197 /nfs/dbraw/zinc/28/71/97/659287197.db2.gz TYAPDZQQGZZAOU-KRWDZBQOSA-N 1 0 386.514 1.743 20 0 GDADRO C[C@@H](CCCCO)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000903149357 659297605 /nfs/dbraw/zinc/29/76/05/659297605.db2.gz ZNSXGRKNIMXQGD-LSDHHAIUSA-N 1 0 378.535 1.551 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CCC1 ZINC000903189230 659300099 /nfs/dbraw/zinc/30/00/99/659300099.db2.gz SZAWFPFQQPCARJ-KGLIPLIRSA-N 1 0 380.576 1.572 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903212197 659302827 /nfs/dbraw/zinc/30/28/27/659302827.db2.gz LCFQXXVPHFFDHK-JTQLQIEISA-N 1 0 388.433 1.570 20 0 GDADRO C[C@@H]([NH2+]CCCc1nnnn1C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903352148 659313868 /nfs/dbraw/zinc/31/38/68/659313868.db2.gz SFBJAEIVJWCNIL-SNVBAGLBSA-N 1 0 377.392 1.787 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@]2(OC)CCS(=O)(=O)C2)C1 ZINC000903367474 659314845 /nfs/dbraw/zinc/31/48/45/659314845.db2.gz ZFBUWNHHBURFEV-VNHYZAJKSA-N 1 0 383.457 1.537 20 0 GDADRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903396023 659314854 /nfs/dbraw/zinc/31/48/54/659314854.db2.gz OKBQAWOITCHNQU-TYNCELHUSA-N 1 0 376.500 1.098 20 0 GDADRO O=C(CN[C@H]1CC[NH2+]C12CCC2)NCC(=O)Nc1ccccc1Br ZINC000903468282 659316054 /nfs/dbraw/zinc/31/60/54/659316054.db2.gz JYGUHLOSACVJPH-AWEZNQCLSA-N 1 0 395.301 1.378 20 0 GDADRO CC(C)[NH2+]CCCNS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903512803 659322414 /nfs/dbraw/zinc/32/24/14/659322414.db2.gz JDZOKDJKPDTCAK-UHFFFAOYSA-N 1 0 393.303 1.985 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(OCCN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903518049 659325549 /nfs/dbraw/zinc/32/55/49/659325549.db2.gz JVIRZOJUAOIAAY-ZIAGYGMSSA-N 1 0 381.420 1.137 20 0 GDADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000903522225 659328308 /nfs/dbraw/zinc/32/83/08/659328308.db2.gz AGKTWNKAKQXCGT-UHFFFAOYSA-N 1 0 392.518 1.615 20 0 GDADRO C[C@@H](CCC[NH3+])NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903522875 659328730 /nfs/dbraw/zinc/32/87/30/659328730.db2.gz WXZYAFWJKZIEJP-VIFPVBQESA-N 1 0 379.276 1.725 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)NCC12CC(C1)C[NH2+]2 ZINC000903524857 659329058 /nfs/dbraw/zinc/32/90/58/659329058.db2.gz CCJJHHZPOKYYCZ-UHFFFAOYSA-N 1 0 389.271 1.349 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903525420 659329564 /nfs/dbraw/zinc/32/95/64/659329564.db2.gz HYQNAQYYPONDQT-PSASIEDQSA-N 1 0 377.260 1.429 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903535126 659332035 /nfs/dbraw/zinc/33/20/35/659332035.db2.gz RAWNGTJCNASVJG-SFYZADRCSA-N 1 0 397.316 1.431 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCCN2S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000903536961 659332354 /nfs/dbraw/zinc/33/23/54/659332354.db2.gz LWBPOTXPPOSJLK-IAQYHMDHSA-N 1 0 394.465 1.575 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])ccc1Cl ZINC000903536341 659332459 /nfs/dbraw/zinc/33/24/59/659332459.db2.gz BFQRTKZGWBBSGZ-XHDPSFHLSA-N 1 0 392.930 1.636 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1c(Cl)ccnc1Cl ZINC000903545005 659335804 /nfs/dbraw/zinc/33/58/04/659335804.db2.gz SINFYMGPGJLUBF-JTQLQIEISA-N 1 0 380.297 1.825 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1cc(Cl)ccc1OC)C2 ZINC000903551469 659338355 /nfs/dbraw/zinc/33/83/55/659338355.db2.gz LQRINAFZTMSMEI-IETSOEAISA-N 1 0 388.873 1.250 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)cc1 ZINC000903558272 659340767 /nfs/dbraw/zinc/34/07/67/659340767.db2.gz OMZZGPUCOYQDGU-UHFFFAOYSA-N 1 0 386.539 1.681 20 0 GDADRO O=S(=O)(c1ccc(Cl)s1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903561237 659341213 /nfs/dbraw/zinc/34/12/13/659341213.db2.gz HGBWCGPKAHYDFX-BETUJISGSA-N 1 0 375.947 1.991 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)s1 ZINC000903564023 659342186 /nfs/dbraw/zinc/34/21/86/659342186.db2.gz OEUXYENEBHMHAQ-VHDGCEQUSA-N 1 0 385.555 1.624 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903563185 659342269 /nfs/dbraw/zinc/34/22/69/659342269.db2.gz SSPNDSNQDXDFCF-PPKCKEKNSA-N 1 0 379.251 1.768 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2ncsc2Br)C[C@H]1C(F)(F)F ZINC000903573285 659345468 /nfs/dbraw/zinc/34/54/68/659345468.db2.gz VRRRAWXFFREKHP-PHDIDXHHSA-N 1 0 394.238 1.557 20 0 GDADRO CN1CCCc2ccc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C3)cc21 ZINC000903578119 659348829 /nfs/dbraw/zinc/34/88/29/659348829.db2.gz BXIWTNUNQUMVSD-KGLIPLIRSA-N 1 0 377.432 1.969 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CC[C@H]1C(F)(F)F ZINC000903580362 659351028 /nfs/dbraw/zinc/35/10/28/659351028.db2.gz UHLGHKBQWKMCBY-RQJHMYQMSA-N 1 0 388.824 1.949 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cccc(I)c1)C2 ZINC000903581190 659351799 /nfs/dbraw/zinc/35/17/99/659351799.db2.gz HMUKGFXOBRUKAW-DLOVCJGASA-N 1 0 392.262 1.792 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)ccc1Br ZINC000903583946 659353243 /nfs/dbraw/zinc/35/32/43/659353243.db2.gz GADZCVXJLIKHJA-GFCCVEGCSA-N 1 0 391.287 1.594 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@H]1c1cncc(Br)c1 ZINC000903585941 659353886 /nfs/dbraw/zinc/35/38/86/659353886.db2.gz ALGJSUJGPIEGPF-KGLIPLIRSA-N 1 0 390.303 1.299 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1OC ZINC000903587573 659354994 /nfs/dbraw/zinc/35/49/94/659354994.db2.gz XDVXVHQPXTUSNL-LBPRGKRZSA-N 1 0 376.862 1.493 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903588792 659355369 /nfs/dbraw/zinc/35/53/69/659355369.db2.gz KHYNRXNFOAGHKO-IUODEOHRSA-N 1 0 392.930 1.387 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1cccc(I)c1 ZINC000903588755 659355600 /nfs/dbraw/zinc/35/56/00/659355600.db2.gz JXQJJDTVSPFBKY-GWCFXTLKSA-N 1 0 392.262 1.793 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])ccc1Cl ZINC000903590423 659356274 /nfs/dbraw/zinc/35/62/74/659356274.db2.gz WEDUDNCOLPMLHI-QMTHXVAHSA-N 1 0 378.903 1.245 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cc1F ZINC000903593707 659357533 /nfs/dbraw/zinc/35/75/33/659357533.db2.gz SXVCKCVCFDGUSU-OAHLLOKOSA-N 1 0 391.490 1.104 20 0 GDADRO CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903758981 659379069 /nfs/dbraw/zinc/37/90/69/659379069.db2.gz MANJLBQTHCCQJE-QNWHQSFQSA-N 1 0 381.464 1.857 20 0 GDADRO Cc1csc([C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)C2)n1 ZINC000903775164 659380043 /nfs/dbraw/zinc/38/00/43/659380043.db2.gz AXKAHOGXJZYOQW-GMTAPVOTSA-N 1 0 376.404 1.115 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903801379 659381428 /nfs/dbraw/zinc/38/14/28/659381428.db2.gz NWJWSDRPNSUZSK-HUBLWGQQSA-N 1 0 395.301 1.703 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)N(C)Cc1ccc(Br)s1)C(C)C ZINC000903805195 659382094 /nfs/dbraw/zinc/38/20/94/659382094.db2.gz FUVCEAQJQUCFNV-UHFFFAOYSA-N 1 0 376.320 1.925 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903803128 659382244 /nfs/dbraw/zinc/38/22/44/659382244.db2.gz ZKSJSNSAJNFNQU-WMLDXEAASA-N 1 0 395.301 1.705 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1Cc1cc(OC)c(C(=O)OC)cc1Br ZINC000903881423 659387503 /nfs/dbraw/zinc/38/75/03/659387503.db2.gz DGRBEEBLBFVUGI-LBPRGKRZSA-N 1 0 387.274 1.665 20 0 GDADRO [NH3+][C@H](CC(F)F)CN1CCC(n2nncc2I)CC1 ZINC000903933393 659389683 /nfs/dbraw/zinc/38/96/83/659389683.db2.gz QIENKZIVDBQXTQ-MRVPVSSYSA-N 1 0 385.200 1.502 20 0 GDADRO CC(C)n1ncc2cc(C[NH2+]CC[C@H]3CNCCS3(=O)=O)c(Cl)nc21 ZINC000903968908 659390788 /nfs/dbraw/zinc/39/07/88/659390788.db2.gz PZFPKDUPCFOXFA-AWEZNQCLSA-N 1 0 385.921 1.532 20 0 GDADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903970261 659391483 /nfs/dbraw/zinc/39/14/83/659391483.db2.gz SXWDVBMGSRZVCZ-XJKSGUPXSA-N 1 0 376.469 1.975 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc([C@@H]3CSc4ccccc43)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904123349 659395915 /nfs/dbraw/zinc/39/59/15/659395915.db2.gz KYEOCVCOYIFHIJ-DNVSUFBTSA-N 1 0 377.491 1.482 20 0 GDADRO [NH3+][C@H]1C[C@@H](CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)C1 ZINC000904337190 659399200 /nfs/dbraw/zinc/39/92/00/659399200.db2.gz QIDZNCQZGOBYKF-PHIMTYICSA-N 1 0 394.360 1.554 20 0 GDADRO CNC(=O)c1cccc(NC(=O)N2CC[NH2+]C[C@@H]2COC)c1Br ZINC000904473511 659402468 /nfs/dbraw/zinc/40/24/68/659402468.db2.gz SOBWLDZWIYTTLR-SNVBAGLBSA-N 1 0 385.262 1.261 20 0 GDADRO Cc1nc(Cc2noc(-c3cc(Br)cn(CC[NH3+])c3=O)n2)cs1 ZINC000904527940 659402906 /nfs/dbraw/zinc/40/29/06/659402906.db2.gz DXBCKXAFLZAHCY-UHFFFAOYSA-N 1 0 396.270 1.975 20 0 GDADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904539208 659403409 /nfs/dbraw/zinc/40/34/09/659403409.db2.gz LYGOUXCEGAQGCC-KXUCPTDWSA-N 1 0 381.230 1.794 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905024346 659417646 /nfs/dbraw/zinc/41/76/46/659417646.db2.gz LMPUWEITEQHSSZ-CJNGLKHVSA-N 1 0 387.274 1.188 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CCOCc2ccccc2)s1 ZINC000905024391 659417739 /nfs/dbraw/zinc/41/77/39/659417739.db2.gz LCLMRSAPQATRLE-HNNXBMFYSA-N 1 0 384.523 1.714 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)C2(O)CCCC2)s1 ZINC000905031429 659418320 /nfs/dbraw/zinc/41/83/20/659418320.db2.gz QQNXXMQVYVDZNX-AWEZNQCLSA-N 1 0 376.544 1.534 20 0 GDADRO O[C@H](C[NH2+]CCc1ccc(I)s1)C1(O)CCOCC1 ZINC000905085596 659421857 /nfs/dbraw/zinc/42/18/57/659421857.db2.gz XMLPARYPNKSYGJ-LLVKDONJSA-N 1 0 397.278 1.387 20 0 GDADRO C[C@@](O)(C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)C(F)(F)C(F)(F)F ZINC000905162531 659427899 /nfs/dbraw/zinc/42/78/99/659427899.db2.gz XHIWCBXKRWYRTN-LLVKDONJSA-N 1 0 380.379 1.481 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000905179079 659430242 /nfs/dbraw/zinc/43/02/42/659430242.db2.gz CDKOHAKNMZRLJV-OAHLLOKOSA-N 1 0 390.292 1.990 20 0 GDADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)nc12 ZINC000905210000 659433416 /nfs/dbraw/zinc/43/34/16/659433416.db2.gz SGOYNVDBDMEQQU-WBVHZDCISA-N 1 0 398.301 1.440 20 0 GDADRO CCOC1CC(CC[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905229791 659434947 /nfs/dbraw/zinc/43/49/47/659434947.db2.gz JXFLIHSQAAYUSR-UYSNPLJNSA-N 1 0 376.563 1.783 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CC1(O)CCCC1)c1ccc(F)cc1Cl ZINC000905255500 659437364 /nfs/dbraw/zinc/43/73/64/659437364.db2.gz STEHUHQZWHFFHV-ZDUSSCGKSA-N 1 0 394.896 1.403 20 0 GDADRO O=C(C[NH2+]C[C@H](O)C1(O)CCC1)Nc1ccc(I)cc1 ZINC000905253724 659437443 /nfs/dbraw/zinc/43/74/43/659437443.db2.gz GIZOJPDETFDINE-LBPRGKRZSA-N 1 0 390.221 1.095 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905256176 659437938 /nfs/dbraw/zinc/43/79/38/659437938.db2.gz MTSRGMYJYUIGOS-OAHLLOKOSA-N 1 0 390.933 1.572 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@H]2CCOC(C)(C)C2)CCC1 ZINC000905279489 659439146 /nfs/dbraw/zinc/43/91/46/659439146.db2.gz JKQWGMIYASROMY-LSDHHAIUSA-N 1 0 376.563 1.783 20 0 GDADRO O=C(CC[NH2+]C[C@H](O)C1(O)CCOCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000905275607 659439230 /nfs/dbraw/zinc/43/92/30/659439230.db2.gz SSJOJSSCIOOAOV-AWEZNQCLSA-N 1 0 377.268 1.814 20 0 GDADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCCC2)c1ccccc1S(=O)(=O)C(F)F ZINC000905351895 659445777 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1.390 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)CCS(=O)(=O)C1 ZINC000905559051 659465487 /nfs/dbraw/zinc/46/54/87/659465487.db2.gz UXICXLGYRMCHSD-GDBMZVCRSA-N 1 0 377.890 1.011 20 0 GDADRO CS(=O)(=O)CCNC(=S)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905578449 659466781 /nfs/dbraw/zinc/46/67/81/659466781.db2.gz YAMYJPFHIBNVJI-DLBZAZTESA-N 1 0 381.567 1.359 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Br)cc1)N1CCCC1 ZINC000905665687 659473218 /nfs/dbraw/zinc/47/32/18/659473218.db2.gz WFZBRUOFBKHGDQ-AWEZNQCLSA-N 1 0 377.304 1.498 20 0 GDADRO CN(c1cccc(C[NH2+]CCS(=O)(=O)c2ccccc2)c1)S(C)(=O)=O ZINC000905699037 659477230 /nfs/dbraw/zinc/47/72/30/659477230.db2.gz UFANOSCDBALBGZ-UHFFFAOYSA-N 1 0 382.507 1.646 20 0 GDADRO [NH3+][C@H](c1cn(C[C@H](O)C2(O)CCCC2)nn1)c1ccc(Br)cc1 ZINC000905820724 659485032 /nfs/dbraw/zinc/48/50/32/659485032.db2.gz XHCXVAHAODNXHQ-GJZGRUSLSA-N 1 0 381.274 1.755 20 0 GDADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NS(=O)(=O)N=S1(=O)CCCC1 ZINC000906058197 659515040 /nfs/dbraw/zinc/51/50/40/659515040.db2.gz QYOHCWVBEYNJKY-UHFFFAOYSA-N 1 0 386.543 1.665 20 0 GDADRO C[NH+](C)[C@H]1CCN(c2ccc(NS(=O)(=O)N=S3(=O)CCCC3)nc2)C1 ZINC000906060755 659515563 /nfs/dbraw/zinc/51/55/63/659515563.db2.gz MEOQSXBDFKMXKS-AWEZNQCLSA-N 1 0 387.531 1.140 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1I)[N@@H+]1CCC[C@@H](C)C1 ZINC000906169578 659523682 /nfs/dbraw/zinc/52/36/82/659523682.db2.gz VWJCANYRAIRFET-MNOVXSKESA-N 1 0 390.269 1.875 20 0 GDADRO CN(C(=O)c1sccc1S(=O)(=O)N1CCCC1)c1cc(C[NH3+])ccn1 ZINC000906225168 659525750 /nfs/dbraw/zinc/52/57/50/659525750.db2.gz GAEGGJOBVKKTLE-UHFFFAOYSA-N 1 0 380.495 1.663 20 0 GDADRO COCC[NH+]1CCC(NC(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906417574 659538737 /nfs/dbraw/zinc/53/87/37/659538737.db2.gz XEPAIPXXCOZGAQ-UHFFFAOYSA-N 1 0 381.274 1.937 20 0 GDADRO CO[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)s1 ZINC000906642659 659564511 /nfs/dbraw/zinc/56/45/11/659564511.db2.gz PZOAJCHFKGXQFA-GXFFZTMASA-N 1 0 376.320 1.560 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C1 ZINC000906674912 659568630 /nfs/dbraw/zinc/56/86/30/659568630.db2.gz ABBCOXGFWAZPEC-MNOVXSKESA-N 1 0 381.889 1.781 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(OCCOC)c(Br)c1 ZINC000906675182 659568650 /nfs/dbraw/zinc/56/86/50/659568650.db2.gz FZVYWZIJUBMUFG-UHFFFAOYSA-N 1 0 388.262 1.091 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC000906682401 659570228 /nfs/dbraw/zinc/57/02/28/659570228.db2.gz OMSPECSVJNEIAK-UHFFFAOYSA-N 1 0 375.516 1.173 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000906702543 659573532 /nfs/dbraw/zinc/57/35/32/659573532.db2.gz YXLMWPIHNMUGQQ-VIFPVBQESA-N 1 0 376.201 1.780 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccccc1I ZINC000906706018 659573919 /nfs/dbraw/zinc/57/39/19/659573919.db2.gz JYEDLZUFDMXXPJ-NSHDSACASA-N 1 0 387.221 1.344 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000906705907 659574020 /nfs/dbraw/zinc/57/40/20/659574020.db2.gz ODRGQPVQPZZANZ-AWEZNQCLSA-N 1 0 380.286 1.991 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906727053 659576735 /nfs/dbraw/zinc/57/67/35/659576735.db2.gz LCIARDIWBNAARD-ADEWGFFLSA-N 1 0 379.258 1.669 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000906732744 659577842 /nfs/dbraw/zinc/57/78/42/659577842.db2.gz OAEYQETWLZQDIK-KWCYVHTRSA-N 1 0 390.281 1.836 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000906741484 659578992 /nfs/dbraw/zinc/57/89/92/659578992.db2.gz ITASKAOIGBPEJF-HOMQSWHASA-N 1 0 387.221 1.392 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000906773497 659585063 /nfs/dbraw/zinc/58/50/63/659585063.db2.gz WFMUQWNJDYQTTE-SNVBAGLBSA-N 1 0 379.766 1.744 20 0 GDADRO COCCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)C1 ZINC000906925103 659619388 /nfs/dbraw/zinc/61/93/88/659619388.db2.gz KVQRWDFGDGNSOM-SNVBAGLBSA-N 1 0 380.850 1.109 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]c2ncc(Cl)cc12 ZINC000906955813 659627708 /nfs/dbraw/zinc/62/77/08/659627708.db2.gz DPCKBHKVZJHVQC-UHFFFAOYSA-N 1 0 385.921 1.474 20 0 GDADRO COc1cccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1OC ZINC000907135090 659676890 /nfs/dbraw/zinc/67/68/90/659676890.db2.gz NTWDHNMMXLAXRS-ZFWWWQNUSA-N 1 0 386.539 1.904 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cn(C)nc1I ZINC000907171537 659688750 /nfs/dbraw/zinc/68/87/50/659688750.db2.gz QWGXJPUEXYGCQS-JTQLQIEISA-N 1 0 390.269 1.827 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)nc12 ZINC000907354973 659735143 /nfs/dbraw/zinc/73/51/43/659735143.db2.gz NPWKLVCRXVBFDE-PBHICJAKSA-N 1 0 395.301 1.519 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](O)c1cccc(Br)c1 ZINC000907458162 659756171 /nfs/dbraw/zinc/75/61/71/659756171.db2.gz ZDEGNOQATNOOQY-CJNGLKHVSA-N 1 0 384.318 1.625 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)N1CCC12CC[NH+](C)CC2)c1ccccc1 ZINC000907856644 659839538 /nfs/dbraw/zinc/83/95/38/659839538.db2.gz CRYVQPPWHQQSOO-XMMPIXPASA-N 1 0 386.543 1.405 20 0 GDADRO O=C(COCCc1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908199421 659881106 /nfs/dbraw/zinc/88/11/06/659881106.db2.gz DYENZAVCEZIUEL-IRXDYDNUSA-N 1 0 397.313 1.676 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000908350107 659900372 /nfs/dbraw/zinc/90/03/72/659900372.db2.gz VOAYWFJKAHQTJG-NHYWBVRUSA-N 1 0 376.258 1.806 20 0 GDADRO O=Cc1ncc(Br)cc1OS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000908388034 659903010 /nfs/dbraw/zinc/90/30/10/659903010.db2.gz DOZGKTSYKKFZKY-AWEZNQCLSA-N 1 0 389.271 1.851 20 0 GDADRO Cn1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(I)n1 ZINC000908422050 659906738 /nfs/dbraw/zinc/90/67/38/659906738.db2.gz CEDXKXQFXIUVRL-AWEZNQCLSA-N 1 0 388.253 1.583 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000908574287 659925864 /nfs/dbraw/zinc/92/58/64/659925864.db2.gz VYYSWPTUAABBJE-HNNXBMFYSA-N 1 0 391.603 1.524 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000908610599 659926675 /nfs/dbraw/zinc/92/66/75/659926675.db2.gz PRKKPLKJSNFRRZ-OAHLLOKOSA-N 1 0 385.302 1.834 20 0 GDADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cn(C)nc2I)CC1 ZINC000909262496 659944221 /nfs/dbraw/zinc/94/42/21/659944221.db2.gz UQKZWLBLIPJYFR-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO Cn1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)c(I)n1 ZINC000909284605 659944671 /nfs/dbraw/zinc/94/46/71/659944671.db2.gz DPROYRUCIWKXKY-UHFFFAOYSA-N 1 0 388.253 1.771 20 0 GDADRO COc1ccc(Br)cc1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909325243 659945603 /nfs/dbraw/zinc/94/56/03/659945603.db2.gz HQKWYCOIGIBGTC-UHFFFAOYSA-N 1 0 398.301 1.790 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000909363859 659946672 /nfs/dbraw/zinc/94/66/72/659946672.db2.gz YVMMPUIFEKARHV-YEWWUXTCSA-N 1 0 399.329 1.480 20 0 GDADRO CN(C(=O)C(=O)NCCc1cccc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000911015286 659991043 /nfs/dbraw/zinc/99/10/43/659991043.db2.gz OBNFZDCVKXSIEZ-UHFFFAOYSA-N 1 0 398.301 1.074 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911028502 659991268 /nfs/dbraw/zinc/99/12/68/659991268.db2.gz JVHVMKIMTIPLTG-DANNLKNASA-N 1 0 394.313 1.896 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000911056604 659992811 /nfs/dbraw/zinc/99/28/11/659992811.db2.gz XGDDOMOGNWZQDI-YEORSEQZSA-N 1 0 380.286 1.450 20 0 GDADRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NCc1ccsc1Br ZINC000911095544 659994206 /nfs/dbraw/zinc/99/42/06/659994206.db2.gz CCXQLYNMUPHSPI-CHWSQXEVSA-N 1 0 394.294 1.868 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCCc2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000911093687 659994255 /nfs/dbraw/zinc/99/42/55/659994255.db2.gz XOWQVOSMRXNHSS-CHWSQXEVSA-N 1 0 377.794 1.737 20 0 GDADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N1CCNCC[NH2+]CC1 ZINC000911114018 659995070 /nfs/dbraw/zinc/99/50/70/659995070.db2.gz VBQOQFFAXTZPHX-CQSZACIVSA-N 1 0 382.917 1.015 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000911127482 659996140 /nfs/dbraw/zinc/99/61/40/659996140.db2.gz FSPZIYRAUXGWAE-NDMJEZRESA-N 1 0 398.326 1.956 20 0 GDADRO Cc1csc([C@H](C)CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)n1 ZINC000911159062 659997141 /nfs/dbraw/zinc/99/71/41/659997141.db2.gz UPZQIIGXQSYHKJ-MIMYLULJSA-N 1 0 378.420 1.409 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1Br ZINC000911171749 659997360 /nfs/dbraw/zinc/99/73/60/659997360.db2.gz KTVMLPIYRXMYPU-KGYLQXTDSA-N 1 0 382.258 1.083 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1c(Cl)cccc1Cl ZINC000911187741 659997951 /nfs/dbraw/zinc/99/79/51/659997951.db2.gz PNGZSEXXCSNPEB-DIFFPNOSSA-N 1 0 388.295 1.525 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)Oc1ccc(Br)cc1 ZINC000911208668 659998534 /nfs/dbraw/zinc/99/85/34/659998534.db2.gz NNUNZKOMRSIKER-WAZAZEMKSA-N 1 0 396.285 1.342 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000911277846 660001568 /nfs/dbraw/zinc/00/15/68/660001568.db2.gz WOUGULOGLOCEDN-ZFWWWQNUSA-N 1 0 396.329 1.921 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000911284531 660001966 /nfs/dbraw/zinc/00/19/66/660001966.db2.gz QCHQJXBGALZTKK-UHFFFAOYSA-N 1 0 384.318 1.921 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000911302437 660002541 /nfs/dbraw/zinc/00/25/41/660002541.db2.gz IJXBEILUKRSXAN-CQSZACIVSA-N 1 0 382.302 1.675 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911305006 660002720 /nfs/dbraw/zinc/00/27/20/660002720.db2.gz DWRGHLVNJYUBOJ-BXUZGUMPSA-N 1 0 383.290 1.622 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000911307739 660002947 /nfs/dbraw/zinc/00/29/47/660002947.db2.gz MSBDYZZJLUNJDC-HZMBPMFUSA-N 1 0 384.274 1.188 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000911310177 660003097 /nfs/dbraw/zinc/00/30/97/660003097.db2.gz JBKQTGBKLFKYJG-PWSUYJOCSA-N 1 0 398.276 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GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000911527488 660009709 /nfs/dbraw/zinc/00/97/09/660009709.db2.gz GGRYSNUVNOLCQX-KGLIPLIRSA-N 1 0 395.301 1.622 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911545894 660010333 /nfs/dbraw/zinc/01/03/33/660010333.db2.gz OFKWXIZDXWCKDZ-QLFBSQMISA-N 1 0 380.286 1.459 20 0 GDADRO Cn1cc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c(I)n1 ZINC000911577929 660011312 /nfs/dbraw/zinc/01/13/12/660011312.db2.gz GALILUUIMFAXEA-ZJUUUORDSA-N 1 0 376.242 1.483 20 0 GDADRO O=C(NCc1ccc(Br)cc1F)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000911576859 660011314 /nfs/dbraw/zinc/01/13/14/660011314.db2.gz BSQDXKZVSJYLEG-UHFFFAOYSA-N 1 0 398.276 1.949 20 0 GDADRO CO[C@@H](C(=O)NCCCN1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000911628071 660012583 /nfs/dbraw/zinc/01/25/83/660012583.db2.gz HSZDBCHCXFPCGF-CYBMUJFWSA-N 1 0 376.320 1.610 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)c1cnnn1-c1cccc(Cl)c1Cl ZINC000911631108 660012794 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C[C@@H]([NH3+])C1(C(=O)N(C)CC(=O)Nc2ccccc2Br)CCOCC1 ZINC000912029179 660024626 /nfs/dbraw/zinc/02/46/26/660024626.db2.gz JNCGCMAHCMQYFD-GFCCVEGCSA-N 1 0 398.301 1.990 20 0 GDADRO NS(=O)(=O)c1ccc(SCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000912065866 660026420 /nfs/dbraw/zinc/02/64/20/660026420.db2.gz NXFXMKGONZRNPS-CVEARBPZSA-N 1 0 383.539 1.559 20 0 GDADRO COc1ccc(Cl)cc1CN(C)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC000912136838 660027811 /nfs/dbraw/zinc/02/78/11/660027811.db2.gz VRDLQGGDAJRZMY-XPKDYRNWSA-N 1 0 386.901 1.330 20 0 GDADRO COC(=O)C[C@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000912454470 660037803 /nfs/dbraw/zinc/03/78/03/660037803.db2.gz MVGBRLDPDXMGBN-YOEHRIQHSA-N 1 0 399.285 1.674 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)C1 ZINC000912510378 660040259 /nfs/dbraw/zinc/04/02/59/660040259.db2.gz GVKVCKHUZHFNCB-KRWDZBQOSA-N 1 0 396.329 1.842 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912585169 660043594 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O=C(COc1ccc(I)cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912925800 660060056 /nfs/dbraw/zinc/06/00/56/660060056.db2.gz SRQHEDNIGGIUND-CYBMUJFWSA-N 1 0 386.233 1.977 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913680394 660091885 /nfs/dbraw/zinc/09/18/85/660091885.db2.gz NJAJCPMROVTNGF-UHFFFAOYSA-N 1 0 385.306 1.439 20 0 GDADRO COc1c(F)cc(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)cc1F ZINC000914128823 660118489 /nfs/dbraw/zinc/11/84/89/660118489.db2.gz BBRMKBWQWGBRCU-UHFFFAOYSA-N 1 0 377.457 1.231 20 0 GDADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2occc2Br)CC1 ZINC000914179418 660124342 /nfs/dbraw/zinc/12/43/42/660124342.db2.gz LAFFUWHJVOOVEO-UHFFFAOYSA-N 1 0 381.292 1.773 20 0 GDADRO CN(CCCC[NH+](C)C)S(=O)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000914225192 660129073 /nfs/dbraw/zinc/12/90/73/660129073.db2.gz DVBITRGMZOSKRW-HNNXBMFYSA-N 1 0 377.551 1.989 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc(F)c(OC)c(F)c2)CC1 ZINC000914406842 660147298 /nfs/dbraw/zinc/14/72/98/660147298.db2.gz 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O=C([C@@H]1CCC(F)(F)C1)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571292056 946090824 /nfs/dbraw/zinc/09/08/24/946090824.db2.gz UBXBLWKHKYNIQF-UPJWGTAASA-N 1 0 389.410 1.592 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)c1c[nH]cc1C1CC1 ZINC001571294166 946127976 /nfs/dbraw/zinc/12/79/76/946127976.db2.gz BWTQRVFVJBMLEQ-BWTSREIZSA-N 1 0 389.463 1.932 20 0 GDADRO CS[C@@H](C)C(=O)N1CCC(CN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571294961 946151049 /nfs/dbraw/zinc/15/10/49/946151049.db2.gz MTDBLMDHHOIVAS-ZDUSSCGKSA-N 1 0 389.529 1.996 20 0 GDADRO O=C(c1csc(Cl)n1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571295129 946154316 /nfs/dbraw/zinc/15/43/16/946154316.db2.gz ULZNDYFHNGTKHF-GFCCVEGCSA-N 1 0 389.872 1.981 20 0 GDADRO Cc1ccc(C(=O)N2C[C@H]3CCN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)cn1 ZINC001571298167 946208800 /nfs/dbraw/zinc/20/88/00/946208800.db2.gz BAAPCNIBGJWTHR-CVEARBPZSA-N 1 0 390.451 1.564 20 0 GDADRO O=C(COC1CCCC1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299015 946236499 /nfs/dbraw/zinc/23/64/99/946236499.db2.gz GVJXMTZNIHANOB-ZDUSSCGKSA-N 1 0 390.513 1.968 20 0 GDADRO O=C([C@H]1CCc2cccnc21)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571299530 946253656 /nfs/dbraw/zinc/25/36/56/946253656.db2.gz SZDJEBCAKQYFRT-HIFRSBDPSA-N 1 0 390.451 1.069 20 0 GDADRO Cc1nsc(N2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)c1-c1nn[nH]n1 ZINC001571299722 946259120 /nfs/dbraw/zinc/25/91/20/946259120.db2.gz OXMJZEDNHMGKCR-AAEUAGOBSA-N 1 0 390.517 1.011 20 0 GDADRO Cc1cnc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)cn1 ZINC001571299766 946261341 /nfs/dbraw/zinc/26/13/41/946261341.db2.gz UGPKOYUIELSDOE-CRAIPNDOSA-N 1 0 390.451 1.312 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@H]1CCCN1C(=O)CC1(O)CCC1 ZINC001571300316 946279735 /nfs/dbraw/zinc/27/97/35/946279735.db2.gz ZKMYKPVGOYOHNZ-CYBMUJFWSA-N 1 0 390.513 1.656 20 0 GDADRO C[C@@H](C(=O)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1)C(C)(F)F ZINC001571302349 946299880 /nfs/dbraw/zinc/29/98/80/946299880.db2.gz VMKVYLBLLVGRCI-SGTLLEGYSA-N 1 0 391.426 1.982 20 0 GDADRO Cc1ccncc1CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571306010 946384888 /nfs/dbraw/zinc/38/48/88/946384888.db2.gz GMPLRAYZFCBDDH-IBGZPJMESA-N 1 0 391.479 1.893 20 0 GDADRO COCC[N@H+](CCOc1ccccc1-c1nn[nH]n1)CCC(=O)OC(C)(C)C ZINC001571306733 946409872 /nfs/dbraw/zinc/40/98/72/946409872.db2.gz OBDJKUMGMQTZSL-UHFFFAOYSA-N 1 0 391.472 1.926 20 0 GDADRO Cc1cnccc1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571306714 946409895 /nfs/dbraw/zinc/40/98/95/946409895.db2.gz ZZNMJWYLFDCYAD-LJQANCHMSA-N 1 0 391.479 1.893 20 0 GDADRO C[C@H](NC(=O)c1cnccn1)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571310357 946467841 /nfs/dbraw/zinc/46/78/41/946467841.db2.gz CSWOCUJHBCNSAC-GJZGRUSLSA-N 1 0 392.467 1.687 20 0 GDADRO CN(C)c1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571313792 946532943 /nfs/dbraw/zinc/53/29/43/946532943.db2.gz WKDIVLYUMBBFRA-WKILWMFISA-N 1 0 392.467 1.378 20 0 GDADRO Cc1cc(NC[C@@H]2CCC[C@H]2NC(=O)Cc2cccnc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314778 946544622 /nfs/dbraw/zinc/54/46/22/946544622.db2.gz CRJRPABLBRKSJV-DOTOQJQBSA-N 1 0 392.467 1.327 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)cnn1 ZINC001571315394 946552127 /nfs/dbraw/zinc/55/21/27/946552127.db2.gz JILLGQAGUBESKA-HNNXBMFYSA-N 1 0 392.467 1.559 20 0 GDADRO Cc1cc(N2C[C@H](NC(=O)Cc3cccnc3)CC[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316144 946567454 /nfs/dbraw/zinc/56/74/54/946567454.db2.gz UXISZBKKQMINIR-GDBMZVCRSA-N 1 0 392.467 1.681 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)Cc3ccncc3C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316276 946570790 /nfs/dbraw/zinc/57/07/90/946570790.db2.gz YEQBGFBTZPNLIC-YOEHRIQHSA-N 1 0 392.467 1.339 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C23CCC3)n1C ZINC001571316253 946571279 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HHPGXZYJPCBNPU-IRXDYDNUSA-N 1 0 392.467 1.431 20 0 GDADRO Cn1ncc(C2CC2)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316559 946581219 /nfs/dbraw/zinc/58/12/19/946581219.db2.gz GIHOQMXJPAUOPD-WKILWMFISA-N 1 0 392.467 1.528 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571316668 946584759 /nfs/dbraw/zinc/58/47/59/946584759.db2.gz JJRXNELWYCJVPO-IAGOWNOFSA-N 1 0 392.467 1.474 20 0 GDADRO O=C(CCc1ccccn1)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571316755 946587013 /nfs/dbraw/zinc/58/70/13/946587013.db2.gz LMWCAMNWRCCHMP-OAHLLOKOSA-N 1 0 392.467 1.362 20 0 GDADRO Cc1cncc(CCC(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571316792 946587927 /nfs/dbraw/zinc/58/79/27/946587927.db2.gz MTKXIJGRSUEEIX-INIZCTEOSA-N 1 0 392.467 1.341 20 0 GDADRO Cc1ncncc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C ZINC001571317017 946594310 /nfs/dbraw/zinc/59/43/10/946594310.db2.gz RYNMWAOOGKEHLW-RDTXWAMCSA-N 1 0 392.467 1.748 20 0 GDADRO Cc1ccnc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571317001 946595531 /nfs/dbraw/zinc/59/55/31/946595531.db2.gz RNHYYJGNWUFJGW-INIZCTEOSA-N 1 0 392.467 1.702 20 0 GDADRO O=C(NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cn2c(n1)CCCC2 ZINC001571317042 946598807 /nfs/dbraw/zinc/59/88/07/946598807.db2.gz SVNNDILLUKHVDM-UHFFFAOYSA-N 1 0 392.467 1.261 20 0 GDADRO Cc1ccncc1CC(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571317122 946602138 /nfs/dbraw/zinc/60/21/38/946602138.db2.gz VUYVCBXHRMZXJZ-HNNXBMFYSA-N 1 0 392.467 1.493 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1c[nH]nc1C1CC1 ZINC001571317119 946602182 /nfs/dbraw/zinc/60/21/82/946602182.db2.gz VQNNAJLJGHMCEN-INIZCTEOSA-N 1 0 392.467 1.862 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCc2nccn2C1 ZINC001571317245 946604417 /nfs/dbraw/zinc/60/44/17/946604417.db2.gz YVHPFUDKHXTWNX-IAGOWNOFSA-N 1 0 392.467 1.016 20 0 GDADRO Brc1ccc(C[NH2+]CCNc2ccc(-c3nn[nH]n3)cn2)cn1 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PBMCDLLRTKRTHE-GOSISDBHSA-N 1 0 377.452 1.932 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573594491 947398254 /nfs/dbraw/zinc/39/82/54/947398254.db2.gz BFUUUYUJFBMTAS-GXTWGEPZSA-N 1 0 392.479 1.597 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826030030 947409996 /nfs/dbraw/zinc/40/99/96/947409996.db2.gz ZVRYQUZHCHTSHR-WBVHZDCISA-N 1 0 385.472 1.371 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC001573596870 947431604 /nfs/dbraw/zinc/43/16/04/947431604.db2.gz LSSLHZNXQFFOAS-RDTXWAMCSA-N 1 0 386.500 1.602 20 0 GDADRO COCCN1CCC[C@@H]1C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826159589 947503502 /nfs/dbraw/zinc/50/35/02/947503502.db2.gz KSFJOFHMJDBIOU-HXUWFJFHSA-N 1 0 399.543 1.532 20 0 GDADRO COCCOC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826161101 947505225 /nfs/dbraw/zinc/50/52/25/947505225.db2.gz UFJXTFFTAXUNNS-OAHLLOKOSA-N 1 0 397.483 1.752 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573614825 947593621 /nfs/dbraw/zinc/59/36/21/947593621.db2.gz HRFWZWBCYUKBQC-KBPBESRZSA-N 1 0 385.497 1.929 20 0 GDADRO COc1cccc(N2CC[C@@H]([NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)c1 ZINC000826216593 947637685 /nfs/dbraw/zinc/63/76/85/947637685.db2.gz GBVQYNXAXSZTHU-OAHLLOKOSA-N 1 0 390.451 1.892 20 0 GDADRO C[C@@H](C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573617899 947643057 /nfs/dbraw/zinc/64/30/57/947643057.db2.gz QGBNZLHSXRKLRL-IFXJQAMLSA-N 1 0 380.456 1.397 20 0 GDADRO CS[C@@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1N(C)C ZINC000826226747 947664757 /nfs/dbraw/zinc/66/47/57/947664757.db2.gz FRYBZARDZOAUPV-HUUCEWRRSA-N 1 0 375.502 1.173 20 0 GDADRO Cc1c(Cl)cnc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826237675 947696164 /nfs/dbraw/zinc/69/61/64/947696164.db2.gz IFJLLKKJOUEVAG-DOMZBBRYSA-N 1 0 390.923 1.686 20 0 GDADRO CC(=O)CCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573365786 947734575 /nfs/dbraw/zinc/73/45/75/947734575.db2.gz NQBYAYZLFAPYEA-LBPRGKRZSA-N 1 0 376.436 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001573369850 947778746 /nfs/dbraw/zinc/77/87/46/947778746.db2.gz YCHQYYDADFTQGX-IUODEOHRSA-N 1 0 385.472 1.258 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001573374089 947803885 /nfs/dbraw/zinc/80/38/85/947803885.db2.gz MLMIUXGWFGJUCT-DZGCQCFKSA-N 1 0 385.472 1.339 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573374570 947810291 /nfs/dbraw/zinc/81/02/91/947810291.db2.gz NZHWPHYZNJMTQK-IBGZPJMESA-N 1 0 383.456 1.450 20 0 GDADRO CC(=O)CCCC(=O)NCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573382004 947880846 /nfs/dbraw/zinc/88/08/46/947880846.db2.gz BSWKCOBXFBZAFB-UHFFFAOYSA-N 1 0 384.484 1.954 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)n1cccc1 ZINC001573647591 947898750 /nfs/dbraw/zinc/89/87/50/947898750.db2.gz PSNAGQVNGRLGHG-RBSFLKMASA-N 1 0 380.456 1.253 20 0 GDADRO C[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1)n1cccn1 ZINC001573653452 947957373 /nfs/dbraw/zinc/95/73/73/947957373.db2.gz LULQMYDWMAJLBM-SUMWQHHRSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@@H](C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(C)(F)F ZINC001573654252 947963353 /nfs/dbraw/zinc/96/33/53/947963353.db2.gz QGCCWAUHBLHJCI-QFYYESIMSA-N 1 0 379.415 1.672 20 0 GDADRO C[C@H](C(=O)NC1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCOCC1)C1CC1 ZINC001573659451 948017026 /nfs/dbraw/zinc/01/70/26/948017026.db2.gz VZLZNKLKZOOVLP-AWEZNQCLSA-N 1 0 384.484 1.668 20 0 GDADRO Cc1onc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000826347603 948059220 /nfs/dbraw/zinc/05/92/20/948059220.db2.gz XITXEHDYDSVSRA-ZDUSSCGKSA-N 1 0 387.469 1.720 20 0 GDADRO C[C@@H](C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)[C@@H]1CCCO1 ZINC001573664719 948059349 /nfs/dbraw/zinc/05/93/49/948059349.db2.gz XTJZSUBMHRIXBO-CJNGLKHVSA-N 1 0 385.472 1.340 20 0 GDADRO Cn1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360238 948117114 /nfs/dbraw/zinc/11/71/14/948117114.db2.gz CIDKXDWNTMLLAY-KRWDZBQOSA-N 1 0 390.455 1.696 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)N(C)c1ncccc1-c1nn[nH]n1 ZINC001573679131 948158420 /nfs/dbraw/zinc/15/84/20/948158420.db2.gz JFEAWNMDEGLWOG-HUUCEWRRSA-N 1 0 386.504 1.467 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC001573679912 948169188 /nfs/dbraw/zinc/16/91/88/948169188.db2.gz KIFSHWWZQVGCBO-LRDDRELGSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+]1CCCCCC1 ZINC001573680948 948191823 /nfs/dbraw/zinc/19/18/23/948191823.db2.gz SSOHHSFXNNQVMK-HNNXBMFYSA-N 1 0 383.500 1.432 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)N(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001573681642 948210078 /nfs/dbraw/zinc/21/00/78/948210078.db2.gz YHQDSKYMWXAUSK-HUUCEWRRSA-N 1 0 386.504 1.467 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001573690575 948226234 /nfs/dbraw/zinc/22/62/34/948226234.db2.gz DSZVCYINPYQKMP-XHDPSFHLSA-N 1 0 376.436 1.009 20 0 GDADRO CC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CC1 ZINC001573439234 948244528 /nfs/dbraw/zinc/24/45/28/948244528.db2.gz KAWGVWSXYVHBKH-INIZCTEOSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1CC1 ZINC001573695615 948306818 /nfs/dbraw/zinc/30/68/18/948306818.db2.gz HNWYVEVXKRQYDE-CWTRNNRKSA-N 1 0 388.447 1.105 20 0 GDADRO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573696428 948324435 /nfs/dbraw/zinc/32/44/35/948324435.db2.gz QAIYXOUZRVDBAI-BLVKFPJESA-N 1 0 388.447 1.105 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573703472 948355266 /nfs/dbraw/zinc/35/52/66/948355266.db2.gz KGNHUYAQAGAQEW-LSDHHAIUSA-N 1 0 380.456 1.657 20 0 GDADRO C[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cnn(C)c1 ZINC001573704767 948383360 /nfs/dbraw/zinc/38/33/60/948383360.db2.gz AJSHAOUSOXHYQA-AAOUONPWSA-N 1 0 386.485 1.227 20 0 GDADRO O=C1[C@H]([NH+]2CCC(c3c[nH]cn3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477135 948386763 /nfs/dbraw/zinc/38/67/63/948386763.db2.gz WJYLRIHKMLHLNA-GOSISDBHSA-N 1 0 392.467 1.965 20 0 GDADRO O=C1OCCN1CCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826483651 948397831 /nfs/dbraw/zinc/39/78/31/948397831.db2.gz VGORRLBUEDVQFO-UHFFFAOYSA-N 1 0 385.472 1.263 20 0 GDADRO C[C@@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573713800 948466829 /nfs/dbraw/zinc/46/68/29/948466829.db2.gz BUFBEBARIMHENM-KBPBESRZSA-N 1 0 381.444 1.052 20 0 GDADRO C[C@H](C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573713806 948467034 /nfs/dbraw/zinc/46/70/34/948467034.db2.gz BUFBEBARIMHENM-ZIAGYGMSSA-N 1 0 381.444 1.052 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573732328 948601917 /nfs/dbraw/zinc/60/19/17/948601917.db2.gz NCVKKKWEULMFMA-NWDGAFQWSA-N 1 0 386.435 1.137 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573743146 948667961 /nfs/dbraw/zinc/66/79/61/948667961.db2.gz YWAOFNJDIABUKE-YOEHRIQHSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@H]1CCCO1 ZINC001573745223 948671142 /nfs/dbraw/zinc/67/11/42/948671142.db2.gz BRNUCHHJVADEHL-MBMVNNNZSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)n1cccc1 ZINC001573749300 948699745 /nfs/dbraw/zinc/69/97/45/948699745.db2.gz XVFLRJHZOFFICC-WQVCFCJDSA-N 1 0 383.431 1.805 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573751801 948704762 /nfs/dbraw/zinc/70/47/62/948704762.db2.gz DFOWAXNWOZFWLT-FVQBIDKESA-N 1 0 384.488 1.585 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccc1 ZINC001573753032 948716625 /nfs/dbraw/zinc/71/66/25/948716625.db2.gz QPLRPDSDQXGHGX-RCBQFDQVSA-N 1 0 383.431 1.805 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)C(C)(F)F ZINC001573754007 948725150 /nfs/dbraw/zinc/72/51/50/948725150.db2.gz ZKFJZECXEQSFPG-MVVXRAEJSA-N 1 0 382.440 1.766 20 0 GDADRO C[C@@H](CNC(=O)CCc1cccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574914646 948755836 /nfs/dbraw/zinc/75/58/36/948755836.db2.gz LSHAARNXGPERRF-HNNXBMFYSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1cccs1 ZINC001573755179 948756805 /nfs/dbraw/zinc/75/68/05/948756805.db2.gz BQWFDECPOJKEME-CNXAATOLSA-N 1 0 381.465 1.678 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccn(C)n1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574916697 948785311 /nfs/dbraw/zinc/78/53/11/948785311.db2.gz HTEDPFDBRKZHQS-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)c1ccccc1C[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574419629 948785651 /nfs/dbraw/zinc/78/56/51/948785651.db2.gz HKBPMCUKTCJUDT-OAHLLOKOSA-N 1 0 383.456 1.199 20 0 GDADRO CC(F)(F)CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001575225147 948799399 /nfs/dbraw/zinc/79/93/99/948799399.db2.gz XFCLGUWDPACIHA-STQMWFEESA-N 1 0 377.399 1.568 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001574917956 948830831 /nfs/dbraw/zinc/83/08/31/948830831.db2.gz DFTOFDGGFIJAIB-HNNXBMFYSA-N 1 0 386.504 1.469 20 0 GDADRO CC(C)c1ccoc1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574422367 948833671 /nfs/dbraw/zinc/83/36/71/948833671.db2.gz ZORHKMCHPWNFFM-LLVKDONJSA-N 1 0 390.469 1.525 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920057 948879948 /nfs/dbraw/zinc/87/99/48/948879948.db2.gz BCDMBOIMUJEBRM-LBPRGKRZSA-N 1 0 388.501 1.231 20 0 GDADRO CC(C)(C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001573764337 948885821 /nfs/dbraw/zinc/88/58/21/948885821.db2.gz NFYMBPJLJYVWEM-OAHLLOKOSA-N 1 0 384.488 1.539 20 0 GDADRO CC(C)(C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001573765445 948909529 /nfs/dbraw/zinc/90/95/29/948909529.db2.gz GFCGVLWTAASERI-ZDUSSCGKSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](CNC(=O)CCn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574923455 948948159 /nfs/dbraw/zinc/94/81/59/948948159.db2.gz MXWCJGWVBGCCJV-GFCCVEGCSA-N 1 0 388.863 1.401 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575241210 948975347 /nfs/dbraw/zinc/97/53/47/948975347.db2.gz CQQJPERHGNBEDK-PWSUYJOCSA-N 1 0 385.394 1.630 20 0 GDADRO C[C@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CC2 ZINC001575242323 948988525 /nfs/dbraw/zinc/98/85/25/948988525.db2.gz JBNKGMKCEPYLRV-ZDUSSCGKSA-N 1 0 375.452 1.871 20 0 GDADRO CC(C)c1nnsc1C(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574439253 949006556 /nfs/dbraw/zinc/00/65/56/949006556.db2.gz DPBBCLOKRDDKAM-SNVBAGLBSA-N 1 0 387.473 1.491 20 0 GDADRO C[C@H](F)CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@]2(C)C1 ZINC001575246480 949032662 /nfs/dbraw/zinc/03/26/62/949032662.db2.gz GQYRETGYXDEJPY-UYHISHBKSA-N 1 0 375.452 1.727 20 0 GDADRO C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574927219 949038337 /nfs/dbraw/zinc/03/83/37/949038337.db2.gz HMOBYRNVDNUORH-ZDUSSCGKSA-N 1 0 387.488 1.013 20 0 GDADRO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C(F)(F)F ZINC001575248268 949071387 /nfs/dbraw/zinc/07/13/87/949071387.db2.gz QFONJEGJBZETKR-MKPLZMMCSA-N 1 0 389.357 1.535 20 0 GDADRO C[C@H](NC(=O)C(F)F)[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575248967 949084033 /nfs/dbraw/zinc/08/40/33/949084033.db2.gz ABQOEAUKLQEJCK-JQWIXIFHSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574694738 949091870 /nfs/dbraw/zinc/09/18/70/949091870.db2.gz VVBXBPGCZYGNPC-CYBMUJFWSA-N 1 0 387.492 1.180 20 0 GDADRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001574095843 949158473 /nfs/dbraw/zinc/15/84/73/949158473.db2.gz ZKTBCXCLVSUFCA-GDBMZVCRSA-N 1 0 391.501 1.145 20 0 GDADRO C[C@@H](CNC(=O)COc1ccsc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574934517 949162545 /nfs/dbraw/zinc/16/25/45/949162545.db2.gz JXUBEBRDPUAEPP-NSHDSACASA-N 1 0 390.444 1.741 20 0 GDADRO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)C1CC1 ZINC001573787271 949172138 /nfs/dbraw/zinc/17/21/38/949172138.db2.gz QTUJCOKCMIFADG-QLPKVWCKSA-N 1 0 384.459 1.988 20 0 GDADRO CC(C)c1oncc1C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001574448214 949183562 /nfs/dbraw/zinc/18/35/62/949183562.db2.gz GJMOQSTUBQPDSO-NHYWBVRUSA-N 1 0 382.428 1.368 20 0 GDADRO C[C@H](CNC(=O)COc1ccc(Cl)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934914 949184933 /nfs/dbraw/zinc/18/49/33/949184933.db2.gz UWVOMWXHYPAWEW-LLVKDONJSA-N 1 0 387.831 1.333 20 0 GDADRO C[C@H](CNC(=O)COc1cccnc1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574934935 949186858 /nfs/dbraw/zinc/18/68/58/949186858.db2.gz VMLZMIKFEADJIX-CQSZACIVSA-N 1 0 381.440 1.277 20 0 GDADRO C[C@H](CNC(=O)COc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574934950 949187271 /nfs/dbraw/zinc/18/72/71/949187271.db2.gz VWMUUKLOBNBVAA-GFCCVEGCSA-N 1 0 385.403 1.074 20 0 GDADRO CC(C)c1oncc1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574449379 949196794 /nfs/dbraw/zinc/19/67/94/949196794.db2.gz QEEFWFDBMZKBAY-HNNXBMFYSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574100706 949198672 /nfs/dbraw/zinc/19/86/72/949198672.db2.gz XXDIXRZZXKPOBO-CQSZACIVSA-N 1 0 378.452 1.303 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(Cl)s1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574937759 949230604 /nfs/dbraw/zinc/23/06/04/949230604.db2.gz QJLPSPSOHAEJGR-SECBINFHSA-N 1 0 377.861 1.558 20 0 GDADRO CC(C)(C)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001573791976 949235177 /nfs/dbraw/zinc/23/51/77/949235177.db2.gz IZGSEWMGUWUQAG-UHFFFAOYSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@@H](c1cnccn1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575521612 949264912 /nfs/dbraw/zinc/26/49/12/949264912.db2.gz HTPBRKXLPSXWRX-PJFSTRORSA-N 1 0 393.455 1.330 20 0 GDADRO C[C@H](CN(C)C(=O)C1(F)CCOCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574701778 949269123 /nfs/dbraw/zinc/26/91/23/949269123.db2.gz CZFQGYQSRWDMRK-CYBMUJFWSA-N 1 0 376.436 1.322 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001574452968 949273420 /nfs/dbraw/zinc/27/34/20/949273420.db2.gz SXPNXBBVXBSBOU-ZDUSSCGKSA-N 1 0 381.444 1.295 20 0 GDADRO CC(C)(C)C(=O)C(=O)NCCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001573793026 949283048 /nfs/dbraw/zinc/28/30/48/949283048.db2.gz IOWQJMDGRFFVQR-UHFFFAOYSA-N 1 0 384.484 1.953 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)cn1 ZINC001574454765 949288378 /nfs/dbraw/zinc/28/83/78/949288378.db2.gz CXLGWRGUQKJPRM-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001574455662 949310561 /nfs/dbraw/zinc/31/05/61/949310561.db2.gz VAWMGFWTNCANCX-CALCHBBNSA-N 1 0 380.456 1.695 20 0 GDADRO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574703379 949329166 /nfs/dbraw/zinc/32/91/66/949329166.db2.gz VDAPLBHPQYWWKZ-GFCCVEGCSA-N 1 0 375.452 1.606 20 0 GDADRO CC(C)n1ccc(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC001574457624 949331158 /nfs/dbraw/zinc/33/11/58/949331158.db2.gz LSOVLUXLLZTKNR-UHFFFAOYSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@]1(F)CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574703822 949354096 /nfs/dbraw/zinc/35/40/96/949354096.db2.gz ZFLDHCSFQHODKK-PIGZYNQJSA-N 1 0 380.399 1.071 20 0 GDADRO CC(C)CC(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574110250 949356930 /nfs/dbraw/zinc/35/69/30/949356930.db2.gz WDDFLMJDVXUADE-HNNXBMFYSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)n1cccc1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574463805 949384722 /nfs/dbraw/zinc/38/47/22/949384722.db2.gz BHMCMQWOWFFMES-MRXNPFEDSA-N 1 0 380.456 1.687 20 0 GDADRO C[C@H](NC(=O)C1CCOCC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263136 949389783 /nfs/dbraw/zinc/38/97/83/949389783.db2.gz DYIZPJJFMYTUMK-LBPRGKRZSA-N 1 0 388.447 1.369 20 0 GDADRO CC(C)n1cccc1C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574465132 949430084 /nfs/dbraw/zinc/43/00/84/949430084.db2.gz PGZIRZMPEJQNGT-AWEZNQCLSA-N 1 0 380.456 1.640 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574705899 949443927 /nfs/dbraw/zinc/44/39/27/949443927.db2.gz KIPFZFFHJYQPPJ-BXUZGUMPSA-N 1 0 392.895 1.658 20 0 GDADRO CC(C)(C)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOCC1 ZINC001573803711 949451275 /nfs/dbraw/zinc/45/12/75/949451275.db2.gz RKMQYAQZNOXVOX-UHFFFAOYSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574707627 949471082 /nfs/dbraw/zinc/47/10/82/949471082.db2.gz PBYCURJVPQSSSG-JSGCOSHPSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCCOCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266173 949472028 /nfs/dbraw/zinc/47/20/28/949472028.db2.gz XQLJFEKJXQJFBJ-RHSMWYFYSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574470412 949498471 /nfs/dbraw/zinc/49/84/71/949498471.db2.gz PNKVZFNRSBHISW-OAHLLOKOSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCC1(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574708584 949498745 /nfs/dbraw/zinc/49/87/45/949498745.db2.gz WUKVTIQNENBCHR-GXFFZTMASA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H]1CCCC[C@@]1(C[NH2+]Cc1ccon1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576158885 949512287 /nfs/dbraw/zinc/51/22/87/949512287.db2.gz VMNOPCKVVKAAQR-SGTLLEGYSA-N 1 0 384.444 1.651 20 0 GDADRO C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001576159396 949514454 /nfs/dbraw/zinc/51/44/54/949514454.db2.gz XERKFNNIYMCZGS-FPCVCCKLSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574711512 949539982 /nfs/dbraw/zinc/53/99/82/949539982.db2.gz IFFCDKSXRYTYGV-PBHICJAKSA-N 1 0 391.479 1.613 20 0 GDADRO C[C@H]1CCCC[C@H]1OCC(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576163599 949541668 /nfs/dbraw/zinc/54/16/68/949541668.db2.gz CGMHNLWYUISMQM-SUMWQHHRSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CCOCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574711858 949559559 /nfs/dbraw/zinc/55/95/59/949559559.db2.gz NFLYLAYAUODMQQ-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](NC(=O)C[C@@H]1CCCCO1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575269916 949568274 /nfs/dbraw/zinc/56/82/74/949568274.db2.gz XHWBZTJNEGDEKR-PBHICJAKSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574712243 949574356 /nfs/dbraw/zinc/57/43/56/949574356.db2.gz QYDLHQAFAKKAOL-KDOFPFPSSA-N 1 0 391.479 1.613 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573810779 949575528 /nfs/dbraw/zinc/57/55/28/949575528.db2.gz CLQLNJXJOANZBO-HIFRSBDPSA-N 1 0 375.477 1.498 20 0 GDADRO C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)n1ccnc1 ZINC001574475791 949576269 /nfs/dbraw/zinc/57/62/69/949576269.db2.gz BYAYRMVHRUDZQF-HNNXBMFYSA-N 1 0 382.472 1.605 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1nnc[nH]1 ZINC001573810832 949580549 /nfs/dbraw/zinc/58/05/49/949580549.db2.gz DPXNHTKYXGFCHK-CYBMUJFWSA-N 1 0 387.423 1.058 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cc[nH]n1 ZINC001573810901 949581329 /nfs/dbraw/zinc/58/13/29/949581329.db2.gz FMSLYWSWJIZMOU-CQSZACIVSA-N 1 0 388.501 1.515 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1nnc[nH]1 ZINC001573810993 949587199 /nfs/dbraw/zinc/58/71/99/949587199.db2.gz GKHSSAPUCPBMFZ-CYBMUJFWSA-N 1 0 387.423 1.058 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]CCOCC1CC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573811115 949589274 /nfs/dbraw/zinc/58/92/74/949589274.db2.gz HRJVBEXRSPYYEE-HNNXBMFYSA-N 1 0 375.477 1.356 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCOC1 ZINC001573811307 949593938 /nfs/dbraw/zinc/59/39/38/949593938.db2.gz JUZVCTAISHNNHI-XJKSGUPXSA-N 1 0 390.463 1.663 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1ccon1 ZINC001573811557 949600228 /nfs/dbraw/zinc/60/02/28/949600228.db2.gz LQMKTKRAVKXIFP-MRXNPFEDSA-N 1 0 383.456 1.718 20 0 GDADRO CC(C)CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574127342 949611095 /nfs/dbraw/zinc/61/10/95/949611095.db2.gz GHKSKRCAISYMJQ-HNNXBMFYSA-N 1 0 392.479 1.645 20 0 GDADRO 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ZINC001576169720 949687917 /nfs/dbraw/zinc/68/79/17/949687917.db2.gz ZWQSIXYPLCXUIW-DYVFJYSZSA-N 1 0 383.456 1.069 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574716338 949688534 /nfs/dbraw/zinc/68/85/34/949688534.db2.gz JPPZNMNFJDCLFE-QWHCGFSZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001576170038 949703371 /nfs/dbraw/zinc/70/33/71/949703371.db2.gz IRBHYCAPCLDCQY-WFASDCNBSA-N 1 0 390.467 1.392 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716885 949711574 /nfs/dbraw/zinc/71/15/74/949711574.db2.gz ROWROXNVEQCTLW-BBRMVZONSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@]1(C)CCOC1 ZINC001575557736 949726012 /nfs/dbraw/zinc/72/60/12/949726012.db2.gz MEGBVLXJSYZVHR-OXJNMPFZSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881736 949729872 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1.356 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574157389 950233047 /nfs/dbraw/zinc/23/30/47/950233047.db2.gz AHHIPFLXOKRECR-AUUYWEPGSA-N 1 0 387.488 1.443 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cccc2cccnc21 ZINC001574983816 950243902 /nfs/dbraw/zinc/24/39/02/950243902.db2.gz SDRFGKPZSFGMIY-LBPRGKRZSA-N 1 0 376.424 1.651 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1ccco1 ZINC001575901888 950245261 /nfs/dbraw/zinc/24/52/61/950245261.db2.gz RIHUEIWDDLUIPW-SJKOYZFVSA-N 1 0 384.415 1.921 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOCC1 ZINC001574157869 950257199 /nfs/dbraw/zinc/25/71/99/950257199.db2.gz KJMZFIXKMDYRIP-CABCVRRESA-N 1 0 387.488 1.443 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575902421 950260668 /nfs/dbraw/zinc/26/06/68/950260668.db2.gz USHKZZDCRUDCBG-BMIGLBTASA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnsn1 ZINC001575902659 950263554 /nfs/dbraw/zinc/26/35/54/950263554.db2.gz WJPJZDQKHOGIJD-TVQRCGJNSA-N 1 0 388.432 1.250 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574158009 950266312 /nfs/dbraw/zinc/26/63/12/950266312.db2.gz MWSUJYUUCSIIMZ-CABCVRRESA-N 1 0 387.488 1.586 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C[NH2+]Cc1cscn1 ZINC001576192967 950275044 /nfs/dbraw/zinc/27/50/44/950275044.db2.gz RVSBPEIQFDXDSD-YPMHNXCESA-N 1 0 386.485 1.539 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576193014 950279871 /nfs/dbraw/zinc/27/98/71/950279871.db2.gz QUFVPERAKJRJNP-NWDGAFQWSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cc(Cl)no1 ZINC001575905482 950295876 /nfs/dbraw/zinc/29/58/76/950295876.db2.gz DDASOGYTXUQAKX-GXFFZTMASA-N 1 0 387.831 1.901 20 0 GDADRO C[C@@]1(C(=O)NCCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575592689 950296395 /nfs/dbraw/zinc/29/63/95/950296395.db2.gz JJNLNQJTIIDYSP-LJQANCHMSA-N 1 0 385.472 1.411 20 0 GDADRO C[C@@H](CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574499441 950298929 /nfs/dbraw/zinc/29/89/29/950298929.db2.gz VNXKKNCKSXIFEK-NFOMZHRRSA-N 1 0 380.456 1.443 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc[nH]n2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576193475 950302122 /nfs/dbraw/zinc/30/21/22/950302122.db2.gz VFRDZWKELVFEJI-ZFWWWQNUSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C2CC2)C1 ZINC001576193940 950322601 /nfs/dbraw/zinc/32/26/01/950322601.db2.gz WOXTVRMCDAOOAC-SUMWQHHRSA-N 1 0 384.488 1.252 20 0 GDADRO CC(C)C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574160521 950335162 /nfs/dbraw/zinc/33/51/62/950335162.db2.gz NSOZLLNYBFYBNJ-DZGCQCFKSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)COC(C)(C)C ZINC001575907592 950337277 /nfs/dbraw/zinc/33/72/77/950337277.db2.gz PIFFSXDQILMIIG-BLLLJJGKSA-N 1 0 390.463 1.900 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCN(c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576194486 950348944 /nfs/dbraw/zinc/34/89/44/950348944.db2.gz ZILRZCPWOVVIFY-KBPBESRZSA-N 1 0 387.463 1.385 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccnn1C ZINC001575908290 950359711 /nfs/dbraw/zinc/35/97/11/950359711.db2.gz UBRBTLFECUIPHP-NHYWBVRUSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H](O)c1ccccc1F ZINC001574744767 950363121 /nfs/dbraw/zinc/36/31/21/950363121.db2.gz AUZAEZUKLDYWNN-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(C2CC2)no1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574744790 950363676 /nfs/dbraw/zinc/36/36/76/950363676.db2.gz BINGQGOIGUPVAR-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574744838 950368514 /nfs/dbraw/zinc/36/85/14/950368514.db2.gz CBYQSEHKDBWOKK-ZDUSSCGKSA-N 1 0 382.472 1.964 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccncc2Cl)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908814 950376172 /nfs/dbraw/zinc/37/61/72/950376172.db2.gz FDFWBDNRTGBAHU-HZMBPMFUSA-N 1 0 386.847 1.636 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575596393 950378574 /nfs/dbraw/zinc/37/85/74/950378574.db2.gz DNWFLTBBXAOUSP-VPWXQRGCSA-N 1 0 384.484 1.668 20 0 GDADRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001573856504 950382784 /nfs/dbraw/zinc/38/27/84/950382784.db2.gz AWHHZSVRYOLMBZ-GXTWGEPZSA-N 1 0 392.435 1.323 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)COC(C)(C)C ZINC001575909272 950391382 /nfs/dbraw/zinc/39/13/82/950391382.db2.gz YGSZJBSOYATVAR-BLLLJJGKSA-N 1 0 390.463 1.900 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574503052 950399334 /nfs/dbraw/zinc/39/93/34/950399334.db2.gz SPRMTUKXMJKYIO-YOEHRIQHSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198368 950409229 /nfs/dbraw/zinc/40/92/29/950409229.db2.gz SEOOJIUDMQAIDY-GDBMZVCRSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cccc(F)c1F ZINC001574747243 950410252 /nfs/dbraw/zinc/41/02/52/950410252.db2.gz SLTNRHHKAWFQOW-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576199181 950420082 /nfs/dbraw/zinc/42/00/82/950420082.db2.gz XCEDOSBNXWVZMB-KGLIPLIRSA-N 1 0 387.463 1.385 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C(C)(C)C)C1 ZINC001576203236 950440677 /nfs/dbraw/zinc/44/06/77/950440677.db2.gz FMFZPQMFOCGZEL-CZUORRHYSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)COCC(F)F ZINC001575912921 950473167 /nfs/dbraw/zinc/47/31/67/950473167.db2.gz RQDQDOHQWSCLKE-RISCZKNCSA-N 1 0 380.399 1.227 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204830 950477991 /nfs/dbraw/zinc/47/79/91/950477991.db2.gz RLRCXRYBGKCAIY-OCCSQVGLSA-N 1 0 388.451 1.146 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574752197 950477933 /nfs/dbraw/zinc/47/79/33/950477933.db2.gz VLXITZCYHQAARQ-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204828 950478501 /nfs/dbraw/zinc/47/85/01/950478501.db2.gz RLRCXRYBGKCAIY-JSGCOSHPSA-N 1 0 388.451 1.146 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(-c2ccccc2)no1 ZINC001574994495 950484461 /nfs/dbraw/zinc/48/44/61/950484461.db2.gz SBLDXFDRJNFWML-LBPRGKRZSA-N 1 0 392.423 1.758 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCn1cccc1 ZINC001575914696 950498867 /nfs/dbraw/zinc/49/88/67/950498867.db2.gz VOEIKNRSVYRLRY-QAPCUYQASA-N 1 0 379.468 1.838 20 0 GDADRO CC(C)Oc1ccccc1C[NH2+][C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574995364 950504931 /nfs/dbraw/zinc/50/49/31/950504931.db2.gz FCOUTQISIFMQJF-CYBMUJFWSA-N 1 0 383.456 1.890 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573866504 950506086 /nfs/dbraw/zinc/50/60/86/950506086.db2.gz FHEVRBMBQXCZQA-CYBMUJFWSA-N 1 0 376.436 1.511 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573866705 950509789 /nfs/dbraw/zinc/50/97/89/950509789.db2.gz JOXOJGJFKBZGSZ-HNNXBMFYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCCC2(CNc3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001576205575 950524699 /nfs/dbraw/zinc/52/46/99/950524699.db2.gz KBRAQOYENQVWRK-CQSZACIVSA-N 1 0 384.488 1.302 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cscn1 ZINC001575915844 950525238 /nfs/dbraw/zinc/52/52/38/950525238.db2.gz XMUYHQXXNVNQKI-WBMJQRKESA-N 1 0 383.481 1.645 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001573869292 950562846 /nfs/dbraw/zinc/56/28/46/950562846.db2.gz NUPYPGKTNDIEEE-GJZGRUSLSA-N 1 0 385.472 1.338 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)no1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574999409 950580808 /nfs/dbraw/zinc/58/08/08/950580808.db2.gz JCEXBVFTIIDPTP-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574999432 950581015 /nfs/dbraw/zinc/58/10/15/950581015.db2.gz JPPLWNLGIWJOIQ-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575000262 950597292 /nfs/dbraw/zinc/59/72/92/950597292.db2.gz BSPDICXLYJPALV-QMMMGPOBSA-N 1 0 380.865 1.223 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576208683 950614992 /nfs/dbraw/zinc/61/49/92/950614992.db2.gz SHABQDCJQTZFLI-MGPQQGTHSA-N 1 0 387.463 1.654 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576208682 950616589 /nfs/dbraw/zinc/61/65/89/950616589.db2.gz SHABQDCJQTZFLI-MELADBBJSA-N 1 0 387.463 1.654 20 0 GDADRO CC1(C)C(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1(C)C ZINC001575619243 950617899 /nfs/dbraw/zinc/61/78/99/950617899.db2.gz NKKLTWZKPGXYRW-ZDUSSCGKSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)no1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575000827 950619028 /nfs/dbraw/zinc/61/90/28/950619028.db2.gz GMHWBJKUHPPPKN-MRVPVSSYSA-N 1 0 379.783 1.555 20 0 GDADRO CC1(C)C(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1(C)C ZINC001575619763 950622517 /nfs/dbraw/zinc/62/25/17/950622517.db2.gz POEURNHVSDZCFK-ZDUSSCGKSA-N 1 0 390.463 1.255 20 0 GDADRO CC1CC[NH+](CC(=O)NCCN(C)Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001576209210 950622817 /nfs/dbraw/zinc/62/28/17/950622817.db2.gz YQBWQWICEHKDSM-UHFFFAOYSA-N 1 0 389.479 1.286 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccnc2ccnn21)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574758780 950624050 /nfs/dbraw/zinc/62/40/50/950624050.db2.gz HAUSFBPZTVOURI-CYBMUJFWSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccccc1O)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574759026 950625617 /nfs/dbraw/zinc/62/56/17/950625617.db2.gz JHDZWUYEPWGXQB-GFCCVEGCSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575001317 950632672 /nfs/dbraw/zinc/63/26/72/950632672.db2.gz KCRAQGGICSGTHC-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575001597 950642490 /nfs/dbraw/zinc/64/24/90/950642490.db2.gz WIQVQSCLDVQLFR-JTQLQIEISA-N 1 0 384.419 1.514 20 0 GDADRO C[C@H](CNC(=O)c1cc2c(s1)CCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575001867 950644667 /nfs/dbraw/zinc/64/46/67/950644667.db2.gz NSBLEAZGNZIGOJ-NSHDSACASA-N 1 0 383.481 1.712 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575001990 950648824 /nfs/dbraw/zinc/64/88/24/950648824.db2.gz YAFKLXKONMJGQL-SNVBAGLBSA-N 1 0 384.419 1.514 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574518319 950649972 /nfs/dbraw/zinc/64/99/72/950649972.db2.gz NMVUHENRSGPRNJ-BPLDGKMQSA-N 1 0 378.440 1.332 20 0 GDADRO C[C@@H](Cn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CC[C@@H](C)C1)[NH+](C)C ZINC001576214138 950661384 /nfs/dbraw/zinc/66/13/84/950661384.db2.gz NKEPOPADFWUEHC-KGLIPLIRSA-N 1 0 381.488 1.922 20 0 GDADRO C[C@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575002605 950663738 /nfs/dbraw/zinc/66/37/38/950663738.db2.gz VXBJAJGCDMGFOQ-GFCCVEGCSA-N 1 0 381.440 1.988 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1ccnc1 ZINC001574518962 950664797 /nfs/dbraw/zinc/66/47/97/950664797.db2.gz SCLMRFINNIHSRN-JHJVBQTASA-N 1 0 386.485 1.513 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1ccnc1 ZINC001574518964 950666034 /nfs/dbraw/zinc/66/60/34/950666034.db2.gz SCLMRFINNIHSRN-RWMBFGLXSA-N 1 0 386.485 1.513 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001576214981 950688943 /nfs/dbraw/zinc/68/89/43/950688943.db2.gz SPAMFKJHIPLOMY-KOMQPUFPSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575006516 950718969 /nfs/dbraw/zinc/71/89/69/950718969.db2.gz VGWWIIMXHWIHED-CYBMUJFWSA-N 1 0 380.456 1.654 20 0 GDADRO C[C@@H](CNC(=O)c1cc2ccccc2nn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575006495 950721503 /nfs/dbraw/zinc/72/15/03/950721503.db2.gz UYBBCSOQRYOLAK-ZDUSSCGKSA-N 1 0 388.435 1.718 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576216598 950738763 /nfs/dbraw/zinc/73/87/63/950738763.db2.gz DUNBUOYATRTIGO-NWDGAFQWSA-N 1 0 391.426 1.625 20 0 GDADRO CC1(C)CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575629546 950739738 /nfs/dbraw/zinc/73/97/38/950739738.db2.gz OZBMSBCJAQFULQ-ZDUSSCGKSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001576217014 950751675 /nfs/dbraw/zinc/75/16/75/950751675.db2.gz FYNWKZZHZUBVCQ-ZFWWWQNUSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cc1ccccc1F ZINC001575927859 950761553 /nfs/dbraw/zinc/76/15/53/950761553.db2.gz VIMHPAWLESYIDI-MLGOLLRUSA-N 1 0 381.415 1.467 20 0 GDADRO CC(C)c1noc([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001575009091 950773081 /nfs/dbraw/zinc/77/30/81/950773081.db2.gz NHKWJSJCJHBSRS-GHMZBOCLSA-N 1 0 387.448 1.418 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@@H](O)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575632153 950793183 /nfs/dbraw/zinc/79/31/83/950793183.db2.gz CEIHUFLEYINEFY-HNNXBMFYSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](CN(C)C(=O)c1nccs1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574765708 950795309 /nfs/dbraw/zinc/79/53/09/950795309.db2.gz JSHUGWLIAVUSHO-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO CC(C)(C)c1nc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)co1 ZINC001573884571 950796070 /nfs/dbraw/zinc/79/60/70/950796070.db2.gz NJYJPWAVIVWRQE-NSHDSACASA-N 1 0 382.428 1.296 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]cn1 ZINC001574523456 950812788 /nfs/dbraw/zinc/81/27/88/950812788.db2.gz NSKPBFHWGVPXLD-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1c[nH]cn1 ZINC001574523464 950813961 /nfs/dbraw/zinc/81/39/61/950813961.db2.gz NUZMFUUIWNJQSX-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1c[nH]cn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574523454 950814930 /nfs/dbraw/zinc/81/49/30/950814930.db2.gz NSKPBFHWGVPXLD-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO CC(C)c1nnsc1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574767384 950846233 /nfs/dbraw/zinc/84/62/33/950846233.db2.gz NHYGZXFLHARGJW-SNVBAGLBSA-N 1 0 387.473 1.231 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=CCOCC1 ZINC001574524453 950858740 /nfs/dbraw/zinc/85/87/40/950858740.db2.gz WNKIHUAHNAWTPI-NWDGAFQWSA-N 1 0 376.486 1.648 20 0 GDADRO CC1(C)CC(C[NH+]2CC3(C2)C[C@H](NC(=O)c2c[nH]c(-c4nn[nH]n4)c2)CO3)C1 ZINC001575639068 950860387 /nfs/dbraw/zinc/86/03/87/950860387.db2.gz ONYCCRPUKAFUEL-AWEZNQCLSA-N 1 0 385.472 1.204 20 0 GDADRO CC(C)c1scnc1C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574767892 950867535 /nfs/dbraw/zinc/86/75/35/950867535.db2.gz RCTABWBJEJXDTH-NSHDSACASA-N 1 0 386.485 1.836 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ocnc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574767910 950875131 /nfs/dbraw/zinc/87/51/31/950875131.db2.gz RNRBRQJOMMOQNA-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(CO)cc1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527138 950877202 /nfs/dbraw/zinc/87/72/02/950877202.db2.gz AAKXWJUELLQNLN-CHWSQXEVSA-N 1 0 383.456 1.374 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574527529 950890236 /nfs/dbraw/zinc/89/02/36/950890236.db2.gz CYQXYFTUVIKBAM-NWDGAFQWSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccnn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574527724 950904965 /nfs/dbraw/zinc/90/49/65/950904965.db2.gz GNRWUVMLJDUBJC-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnsn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574527787 950905275 /nfs/dbraw/zinc/90/52/75/950905275.db2.gz HCCSUZICZOJIDI-ZJUUUORDSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cncn1C ZINC001574527830 950911774 /nfs/dbraw/zinc/91/17/74/950911774.db2.gz HVMBWNHWGVMVPO-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[N@H+](C)CCc1ccc(F)c(F)c1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771582 950924887 /nfs/dbraw/zinc/92/48/87/950924887.db2.gz GXKXRSWTWRRESM-LLVKDONJSA-N 1 0 389.410 1.766 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc2n(n1)CCC2)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574528075 950925074 /nfs/dbraw/zinc/92/50/74/950925074.db2.gz KPWZYRPYSKIJRQ-VXGBXAGGSA-N 1 0 383.460 1.024 20 0 GDADRO C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576228014 950927834 /nfs/dbraw/zinc/92/78/34/950927834.db2.gz ICAGFKXIIAOQON-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1csnn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574528492 950932085 /nfs/dbraw/zinc/93/20/85/950932085.db2.gz MWPQUQVAJIRTMJ-ZJUUUORDSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cn(C)cn1 ZINC001574529002 950942410 /nfs/dbraw/zinc/94/24/10/950942410.db2.gz OZCPDFIIROKHRA-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCOC1 ZINC001574771895 950949471 /nfs/dbraw/zinc/94/94/71/950949471.db2.gz MIPQYTRALXOUKC-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)(CC(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573897821 950965680 /nfs/dbraw/zinc/96/56/80/950965680.db2.gz UADWYGNZXBSTMA-HNNXBMFYSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576229863 950984814 /nfs/dbraw/zinc/98/48/14/950984814.db2.gz OMZKMJJNKCVCKX-CJNGLKHVSA-N 1 0 381.484 1.913 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575017410 950995689 /nfs/dbraw/zinc/99/56/89/950995689.db2.gz FHGMTAXRVBCLFZ-LBPRGKRZSA-N 1 0 380.456 1.607 20 0 GDADRO CC(C)OCCC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574773986 950996299 /nfs/dbraw/zinc/99/62/99/950996299.db2.gz ALUWDKUAWRQWTJ-ZDUSSCGKSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@H](CNC(=O)c1ccc(=O)[nH]c1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575018703 951026466 /nfs/dbraw/zinc/02/64/66/951026466.db2.gz OVZRESRKHUGHBL-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575024688 951111808 /nfs/dbraw/zinc/11/18/08/951111808.db2.gz KUPLTQSIPXDYDV-NSHDSACASA-N 1 0 384.419 1.119 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575043333 951387836 /nfs/dbraw/zinc/38/78/36/951387836.db2.gz QIKPLRSOELLORD-ZDUSSCGKSA-N 1 0 382.472 1.632 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575055406 951506400 /nfs/dbraw/zinc/50/64/00/951506400.db2.gz SLXQAWAEPIQUQU-NSHDSACASA-N 1 0 390.398 1.080 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575062448 951568073 /nfs/dbraw/zinc/56/80/73/951568073.db2.gz WEJIYCGTMHWPHB-SNVBAGLBSA-N 1 0 384.419 1.126 20 0 GDADRO C[C@@H](CNC(=O)c1nsc2ccccc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575066355 951594673 /nfs/dbraw/zinc/59/46/73/951594673.db2.gz KMWKVBYNRIGCCI-JTQLQIEISA-N 1 0 380.437 1.524 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C(F)F)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067761 951620733 /nfs/dbraw/zinc/62/07/33/951620733.db2.gz XWAUHHPIAFHXRO-VIFPVBQESA-N 1 0 377.355 1.700 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)n1cccc1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077000 951658375 /nfs/dbraw/zinc/65/83/75/951658375.db2.gz AIAWYQPMYNGYME-KBPBESRZSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCC1(F)F ZINC001575077249 951664502 /nfs/dbraw/zinc/66/45/02/951664502.db2.gz BCPWSUCQMBXPBA-ZWNOBZJWSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCCCO1 ZINC001575077484 951670032 /nfs/dbraw/zinc/67/00/32/951670032.db2.gz FHAJSJBOGOTNDG-MLGOLLRUSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(CO)ccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077550 951670960 /nfs/dbraw/zinc/67/09/60/951670960.db2.gz GNKGHGYLNXDPMS-NSHDSACASA-N 1 0 387.419 1.077 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1csnn1 ZINC001575077874 951676148 /nfs/dbraw/zinc/67/61/48/951676148.db2.gz JEEAOJQWYPGQEJ-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[NH2+]C[C@H](O)C1CCCCC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575078015 951678103 /nfs/dbraw/zinc/67/81/03/951678103.db2.gz JDMFTKGBIJPADZ-WBMJQRKESA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCC1(F)F)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078952 951686299 /nfs/dbraw/zinc/68/62/99/951686299.db2.gz OFFULVNFCPWIFD-YGRLFVJLSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](CNC(=O)C=Cc1ccc[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079576 951693795 /nfs/dbraw/zinc/69/37/95/951693795.db2.gz ROOHZLMKADDREW-VGVVRCBHSA-N 1 0 383.431 1.889 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079919 951698941 /nfs/dbraw/zinc/69/89/41/951698941.db2.gz SXJBPDGAIOQCJS-IIMNLJJBSA-N 1 0 382.390 1.749 20 0 GDADRO C[C@H](CNC(=O)CC1OCCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079965 951700618 /nfs/dbraw/zinc/70/06/18/951700618.db2.gz UHUTWUDWMHUTOM-LBPRGKRZSA-N 1 0 392.435 1.001 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080192 951706615 /nfs/dbraw/zinc/70/66/15/951706615.db2.gz PLIZUVHSFLKHPS-UONOGXRCSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H](O)C1CCCCC1 ZINC001575080263 951708205 /nfs/dbraw/zinc/70/82/05/951708205.db2.gz QSMLENJZFDQIPK-LRDDRELGSA-N 1 0 375.477 1.092 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080556 951712482 /nfs/dbraw/zinc/71/24/82/951712482.db2.gz YDWRMJFLQDAJOW-SWLSCSKDSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1csnn1 ZINC001575081590 951723283 /nfs/dbraw/zinc/72/32/83/951723283.db2.gz QPSMEHIOGAUSMG-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082177 951730471 /nfs/dbraw/zinc/73/04/71/951730471.db2.gz VIZQJRIIQFENAJ-UKRRQHHQSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]cc1F)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575082230 951733025 /nfs/dbraw/zinc/73/30/25/951733025.db2.gz WEBCDNRLNGCHPF-VIFPVBQESA-N 1 0 376.371 1.024 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001575082378 951733836 /nfs/dbraw/zinc/73/38/36/951733836.db2.gz XWICRDSPKZTUBA-MEDUHNTESA-N 1 0 387.419 1.023 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082444 951734264 /nfs/dbraw/zinc/73/42/64/951734264.db2.gz YXTWFJGAFPRJQM-ZDUSSCGKSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](C[NH2+]Cc1c(F)cccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575082460 951734413 /nfs/dbraw/zinc/73/44/13/951734413.db2.gz ZHPHBQKFMOILCD-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](CNC(=O)c1cnsn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082702 951735414 /nfs/dbraw/zinc/73/54/14/951735414.db2.gz YEECCTDGIWLAHZ-SECBINFHSA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088509 951739998 /nfs/dbraw/zinc/73/99/98/951739998.db2.gz AKAXXEWZSDSUIC-RHSMWYFYSA-N 1 0 384.484 1.525 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001575089369 951749563 /nfs/dbraw/zinc/74/95/63/951749563.db2.gz GWICETLZGPHCKX-VDGAXYAQSA-N 1 0 382.468 1.278 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575089898 951754563 /nfs/dbraw/zinc/75/45/63/951754563.db2.gz IIAKVADUDQVSOP-BFUOFWGJSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCC1(F)F ZINC001575090094 951757456 /nfs/dbraw/zinc/75/74/56/951757456.db2.gz JIXQKHNFRKKBDN-MFKMUULPSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ccccc1O ZINC001575090698 951763115 /nfs/dbraw/zinc/76/31/15/951763115.db2.gz LGKSEBQHRADEDU-GFCCVEGCSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1cncs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090714 951764224 /nfs/dbraw/zinc/76/42/24/951764224.db2.gz NMNYWWYWZQLGKQ-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575090962 951766768 /nfs/dbraw/zinc/76/67/68/951766768.db2.gz ONYABIQGPBCCEU-BBRMVZONSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001575090959 951766826 /nfs/dbraw/zinc/76/68/26/951766826.db2.gz LZEDQQUTSCECGG-PXNSSMCTSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575090964 951766873 /nfs/dbraw/zinc/76/68/73/951766873.db2.gz ONYABIQGPBCCEU-CZUORRHYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575091093 951768615 /nfs/dbraw/zinc/76/86/15/951768615.db2.gz PBPSDZQTDVBJEH-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575091094 951768841 /nfs/dbraw/zinc/76/88/41/951768841.db2.gz PBPSDZQTDVBJEH-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ccsn1 ZINC001575091382 951774360 /nfs/dbraw/zinc/77/43/60/951774360.db2.gz QLYIRHPISGBKKJ-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ncccc1F ZINC001575091520 951778702 /nfs/dbraw/zinc/77/87/02/951778702.db2.gz TYUBIFJIUIIUMP-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575091615 951780667 /nfs/dbraw/zinc/78/06/67/951780667.db2.gz SPEAZGAPVFRHFR-IBGZPJMESA-N 1 0 384.440 1.129 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575091797 951784102 /nfs/dbraw/zinc/78/41/02/951784102.db2.gz URARCHADRFJEOJ-OCCSQVGLSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)Cc1ncccc1F ZINC001575092119 951789787 /nfs/dbraw/zinc/78/97/87/951789787.db2.gz ABKPPFRLIOADOS-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001575092164 951791646 /nfs/dbraw/zinc/79/16/46/951791646.db2.gz ANVPRTUNMLFXJZ-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cncc(F)c1 ZINC001575092279 951792940 /nfs/dbraw/zinc/79/29/40/951792940.db2.gz ZYXAGQRMOZIXCC-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092286 951793323 /nfs/dbraw/zinc/79/33/23/951793323.db2.gz BVZPTDFYIMIMSW-LBPRGKRZSA-N 1 0 380.456 1.234 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575092567 951795418 /nfs/dbraw/zinc/79/54/18/951795418.db2.gz FCSFEQIYAHYJBT-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575093356 951798349 /nfs/dbraw/zinc/79/83/49/951798349.db2.gz IEMKMTMUSJUYOD-ZDUSSCGKSA-N 1 0 386.435 1.283 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cccn2nccc12 ZINC001575095464 951811747 /nfs/dbraw/zinc/81/17/47/951811747.db2.gz UHANLAATNSJXRH-CQSZACIVSA-N 1 0 390.451 1.765 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1nccn1C ZINC001575096052 951817347 /nfs/dbraw/zinc/81/73/47/951817347.db2.gz YPWWNJWEVIIGSX-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](CNC(=O)c1conc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096071 951817660 /nfs/dbraw/zinc/81/76/60/951817660.db2.gz YYYNKMWRKYBKQE-GFCCVEGCSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C1CCOCC1 ZINC001575101131 951854250 /nfs/dbraw/zinc/85/42/50/951854250.db2.gz AAWZQRRNBBKPMB-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)COC1CCCC1 ZINC001575101124 951854594 /nfs/dbraw/zinc/85/45/94/951854594.db2.gz ZVCAUYXSOGIYAZ-LBPRGKRZSA-N 1 0 378.502 1.824 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575102367 951868465 /nfs/dbraw/zinc/86/84/65/951868465.db2.gz LXJCTTZJGSUCSL-ORAYPTAESA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)C1(CCF)CC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575104297 951883823 /nfs/dbraw/zinc/88/38/23/951883823.db2.gz ZAWJECJGDKTDNN-LBPRGKRZSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1ccc(F)c(F)c1 ZINC001575106585 951904988 /nfs/dbraw/zinc/90/49/88/951904988.db2.gz SQRTXNAIEQUEOX-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1ccc(F)c(F)c1 ZINC001575106586 951905037 /nfs/dbraw/zinc/90/50/37/951905037.db2.gz SQRTXNAIEQUEOX-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106876 951910209 /nfs/dbraw/zinc/91/02/09/951910209.db2.gz VWNKBZRHWHXYJX-KGLIPLIRSA-N 1 0 382.472 1.246 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1ccc(F)c(F)c1 ZINC001575107131 951912925 /nfs/dbraw/zinc/91/29/25/951912925.db2.gz ZRYMKLJGEMUKOQ-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575107135 951913686 /nfs/dbraw/zinc/91/36/86/951913686.db2.gz ZTOGZUVDXWSSQA-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1cnn(C)c1 ZINC001575107932 951922657 /nfs/dbraw/zinc/92/26/57/951922657.db2.gz JJDDSJHROUJAEU-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1ccnn1C ZINC001575109755 951933591 /nfs/dbraw/zinc/93/35/91/951933591.db2.gz UWQJURXOSYTUSN-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001575113868 951946457 /nfs/dbraw/zinc/94/64/57/951946457.db2.gz HLCJPRMDSSHLNK-ZDUSSCGKSA-N 1 0 382.472 1.417 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccn(C)n1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113828 951946567 /nfs/dbraw/zinc/94/65/67/951946567.db2.gz GTHHLBNMIGGSIA-CQSZACIVSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1ncoc1C1CC1 ZINC001575114063 951952876 /nfs/dbraw/zinc/95/28/76/951952876.db2.gz LMHMOISSMOFSLQ-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)c1ccncn1)C1CC1 ZINC001575114581 951958934 /nfs/dbraw/zinc/95/89/34/951958934.db2.gz QKHZCGRKFKTHPE-LJQANCHMSA-N 1 0 378.440 1.345 20 0 GDADRO C[C@@](C[NH2+]Cc1cncc(F)c1)(NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001575116595 951971704 /nfs/dbraw/zinc/97/17/04/951971704.db2.gz FQZFFEFQQBFSOG-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1nc2c(o1)CCCC2 ZINC001575117053 951975389 /nfs/dbraw/zinc/97/53/89/951975389.db2.gz KRZBHOJTGJQELS-NSHDSACASA-N 1 0 384.444 1.217 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001575131745 952089631 /nfs/dbraw/zinc/08/96/31/952089631.db2.gz AYBJHMABCNLMSX-DZGCQCFKSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001575136463 952126027 /nfs/dbraw/zinc/12/60/27/952126027.db2.gz PFWZMDYUMPXHAS-LBPRGKRZSA-N 1 0 375.452 1.606 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575146014 952189687 /nfs/dbraw/zinc/18/96/87/952189687.db2.gz FVPVYKWVVSTSKS-GFCCVEGCSA-N 1 0 381.444 1.178 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575146272 952192774 /nfs/dbraw/zinc/19/27/74/952192774.db2.gz JRCUIMRPKPFFTP-LLVKDONJSA-N 1 0 387.394 1.463 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccc2nccnc21 ZINC001575146813 952196846 /nfs/dbraw/zinc/19/68/46/952196846.db2.gz OBNSAKCWQSEZCY-LBPRGKRZSA-N 1 0 389.423 1.199 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575147937 952202049 /nfs/dbraw/zinc/20/20/49/952202049.db2.gz XBCNHHGEARHRTF-LBPRGKRZSA-N 1 0 378.440 1.529 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575164142 952286900 /nfs/dbraw/zinc/28/69/00/952286900.db2.gz IQLBRFNRLIDTEQ-SMDDNHRTSA-N 1 0 388.451 1.001 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575164271 952289822 /nfs/dbraw/zinc/28/98/22/952289822.db2.gz CNWKDGNBZCNLQR-DMDPSCGWSA-N 1 0 392.895 1.514 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575165925 952316020 /nfs/dbraw/zinc/31/60/20/952316020.db2.gz RFGKSNNNYRCNBZ-MFKMUULPSA-N 1 0 378.868 1.268 20 0 GDADRO C[C@@H](CNc1nc(Cl)c(-c2nn[nH]n2)s1)N(C)C(=O)CCC[NH+](C)C ZINC001575166006 952317905 /nfs/dbraw/zinc/31/79/05/952317905.db2.gz RVOLVIRZTRXZAA-VIFPVBQESA-N 1 0 386.913 1.577 20 0 GDADRO C[C@@H](CNc1nc(Cl)c(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575165962 952318067 /nfs/dbraw/zinc/31/80/67/952318067.db2.gz RJGPXVUOHNCGMR-DTWKUNHWSA-N 1 0 384.897 1.187 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[nH]n1 ZINC001575174129 952366641 /nfs/dbraw/zinc/36/66/41/952366641.db2.gz HPVTXFIZIJKKEB-ZIAGYGMSSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575190507 952463190 /nfs/dbraw/zinc/46/31/90/952463190.db2.gz SZEQPRMXXLAZIV-ZIAGYGMSSA-N 1 0 381.440 1.416 20 0 GDADRO C[C@H](F)CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC[C@@H]12 ZINC001571117654 952483069 /nfs/dbraw/zinc/48/30/69/952483069.db2.gz OFUHDWQSVBHFNB-WBHUJUFNSA-N 1 0 375.452 1.917 20 0 GDADRO C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571119506 952492026 /nfs/dbraw/zinc/49/20/26/952492026.db2.gz CHESQBGGGWSKLD-XHDPSFHLSA-N 1 0 376.411 1.849 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CC1(F)F ZINC001571120386 952502542 /nfs/dbraw/zinc/50/25/42/952502542.db2.gz LZMONIUIVGEJDI-HIFRSBDPSA-N 1 0 376.411 1.850 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575201655 952506381 /nfs/dbraw/zinc/50/63/81/952506381.db2.gz JVUSSMPBUKCOHR-KGLIPLIRSA-N 1 0 382.472 1.405 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575202595 952514502 /nfs/dbraw/zinc/51/45/02/952514502.db2.gz WEIXIVWGFWYEHO-QEJZJMRPSA-N 1 0 380.456 1.205 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCC1(F)F ZINC001571121174 952516650 /nfs/dbraw/zinc/51/66/50/952516650.db2.gz XBGHJYVCJLRYOK-ZALBZXLWSA-N 1 0 376.411 1.896 20 0 GDADRO CO[C@@H](C)C(=O)N1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001571121958 952524097 /nfs/dbraw/zinc/52/40/97/952524097.db2.gz GHFZTTFCMKVXDC-SGMGOOAPSA-N 1 0 376.486 1.386 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001575207252 952533742 /nfs/dbraw/zinc/53/37/42/952533742.db2.gz PQNPAVOGOJJGHA-ZIAGYGMSSA-N 1 0 382.472 1.073 20 0 GDADRO CC(F)(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@@H]2C1 ZINC001575213861 952561359 /nfs/dbraw/zinc/56/13/59/952561359.db2.gz VNIAHVUFCPSFKM-TXEJJXNPSA-N 1 0 380.374 1.551 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001571128185 952564702 /nfs/dbraw/zinc/56/47/02/952564702.db2.gz QEHLOGKERWJQLR-DOPJRALCSA-N 1 0 377.452 1.802 20 0 GDADRO Cc1cnccc1C(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571134191 952587018 /nfs/dbraw/zinc/58/70/18/952587018.db2.gz GBYUKIHLRBICJX-ZIAGYGMSSA-N 1 0 378.440 1.207 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)ccn1 ZINC001571134449 952590981 /nfs/dbraw/zinc/59/09/81/952590981.db2.gz GOQRESHEKAESHG-OTVXOJSOSA-N 1 0 378.440 1.316 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571134708 952594081 /nfs/dbraw/zinc/59/40/81/952594081.db2.gz KELCSPQTQPFKSF-UKRRQHHQSA-N 1 0 378.440 1.155 20 0 GDADRO Cc1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C)cn1 ZINC001571135162 952600241 /nfs/dbraw/zinc/60/02/41/952600241.db2.gz SITIAZBEILIJEP-XJKSGUPXSA-N 1 0 378.440 1.358 20 0 GDADRO Cc1cc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc[nH]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135142 952600658 /nfs/dbraw/zinc/60/06/58/952600658.db2.gz POHSHBCXAWLLLQ-JKSUJKDBSA-N 1 0 378.440 1.782 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001571135359 952602330 /nfs/dbraw/zinc/60/23/30/952602330.db2.gz USRFZSYPQRURGG-KRWDZBQOSA-N 1 0 378.440 1.393 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)[C@H](C)c3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135524 952604579 /nfs/dbraw/zinc/60/45/79/952604579.db2.gz WEANAVQOHGBDOH-UKRRQHHQSA-N 1 0 378.440 1.464 20 0 GDADRO C[C@H](C(=O)N1CCC(N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001571140033 952623230 /nfs/dbraw/zinc/62/32/30/952623230.db2.gz NPJGJGLKUAMZRX-LLVKDONJSA-N 1 0 379.415 1.980 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ncccc1O ZINC001571140261 952624761 /nfs/dbraw/zinc/62/47/61/952624761.db2.gz BAXJFCRCDSKVBL-IUODEOHRSA-N 1 0 379.424 1.360 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccc(=O)[nH]1 ZINC001571142110 952639010 /nfs/dbraw/zinc/63/90/10/952639010.db2.gz PMHXWLNGUHRCBW-UHFFFAOYSA-N 1 0 379.424 1.266 20 0 GDADRO O=C(c1cn[nH]c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC[C@@H]2C1 ZINC001571142303 952639856 /nfs/dbraw/zinc/63/98/56/952639856.db2.gz OOXJNIVRNTVTRV-CJNGLKHVSA-N 1 0 378.440 1.184 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1ccncn1 ZINC001571142318 952639936 /nfs/dbraw/zinc/63/99/36/952639936.db2.gz OYRSJPONRXHYIQ-CABCVRRESA-N 1 0 378.440 1.488 20 0 GDADRO COc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571142626 952643862 /nfs/dbraw/zinc/64/38/62/952643862.db2.gz YVUCZFYGUZHXNC-HNNXBMFYSA-N 1 0 379.424 1.275 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c(-c2nn[nH]n2)c1 ZINC001571142772 952646511 /nfs/dbraw/zinc/64/65/11/952646511.db2.gz XYODVJLYQSNQQB-CQSZACIVSA-N 1 0 378.502 1.574 20 0 GDADRO Cc1cccc(CCC[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571150442 952668169 /nfs/dbraw/zinc/66/81/69/952668169.db2.gz APPUTZLJWFUFQQ-KRWDZBQOSA-N 1 0 379.468 1.940 20 0 GDADRO Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)ccn1C ZINC001571150845 952670466 /nfs/dbraw/zinc/67/04/66/952670466.db2.gz HLUDUKWDKVGFLO-FZKQIMNGSA-N 1 0 379.468 1.764 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C ZINC001571155316 952695959 /nfs/dbraw/zinc/69/59/59/952695959.db2.gz NQIHCCKSNNMOBC-GWCFXTLKSA-N 1 0 380.399 1.467 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571167257 952772413 /nfs/dbraw/zinc/77/24/13/952772413.db2.gz ZWDIFGOXTREFPU-YOEHRIQHSA-N 1 0 380.456 1.233 20 0 GDADRO CCn1ccnc1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571169409 952773338 /nfs/dbraw/zinc/77/33/38/952773338.db2.gz BTJXMUXUCJIZCI-UHFFFAOYSA-N 1 0 380.456 1.431 20 0 GDADRO Cc1c[nH]c(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)n1 ZINC001571169497 952775282 /nfs/dbraw/zinc/77/52/82/952775282.db2.gz FBPCANYHRADTIL-XJKSGUPXSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1cncn1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169631 952776116 /nfs/dbraw/zinc/77/61/16/952776116.db2.gz IQKDTSKZOIAJBF-HNNXBMFYSA-N 1 0 380.456 1.010 20 0 GDADRO CCn1cnc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571169730 952778359 /nfs/dbraw/zinc/77/83/59/952778359.db2.gz LIKFMFJQBXLJSS-MRXNPFEDSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1ccn(C)c1C(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571170449 952786222 /nfs/dbraw/zinc/78/62/22/952786222.db2.gz UTMZJJPOXKYTEI-UHFFFAOYSA-N 1 0 380.456 1.570 20 0 GDADRO CN(C)c1cccc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571170864 952789131 /nfs/dbraw/zinc/78/91/31/952789131.db2.gz YBQROXZKLNEUKZ-OAHLLOKOSA-N 1 0 380.456 1.265 20 0 GDADRO Cc1cncc(C[NH+]2CCC(N(C)C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)c1 ZINC001571170915 952790518 /nfs/dbraw/zinc/79/05/18/952790518.db2.gz ZIHMXJJIAKRZGQ-UHFFFAOYSA-N 1 0 380.456 1.635 20 0 GDADRO Cc1nn(C)cc1C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571171947 952799578 /nfs/dbraw/zinc/79/95/78/952799578.db2.gz JKXFJAVEBBQRTB-UHFFFAOYSA-N 1 0 380.456 1.207 20 0 GDADRO O=C(CCn1ccnc1)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571172090 952801606 /nfs/dbraw/zinc/80/16/06/952801606.db2.gz LXNIAPLHSSFFIJ-UHFFFAOYSA-N 1 0 380.456 1.188 20 0 GDADRO Cn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC001571172513 952807249 /nfs/dbraw/zinc/80/72/49/952807249.db2.gz VTULHNPNHPUYFH-QGZVFWFLSA-N 1 0 380.456 1.385 20 0 GDADRO O=C(Cc1cc[nH]n1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571172810 952808575 /nfs/dbraw/zinc/80/85/75/952808575.db2.gz YFCRLWFANRAIEG-QGZVFWFLSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571172861 952809232 /nfs/dbraw/zinc/80/92/32/952809232.db2.gz ZSSBGHJRYUVNEZ-HUUCEWRRSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)n1 ZINC001571178467 952842454 /nfs/dbraw/zinc/84/24/54/952842454.db2.gz JPSUMGCXYBDZAZ-HDJSIYSDSA-N 1 0 381.415 1.760 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)c1ccc(F)cn1 ZINC001571178836 952848067 /nfs/dbraw/zinc/84/80/67/952848067.db2.gz VZLYVHRCEZVAGF-MLGOLLRUSA-N 1 0 381.415 1.794 20 0 GDADRO Cc1ccc(CC(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571179363 952851694 /nfs/dbraw/zinc/85/16/94/952851694.db2.gz BVIYOXZZRBTGLN-AWEZNQCLSA-N 1 0 381.440 1.799 20 0 GDADRO Cc1ccoc1CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571179613 952854635 /nfs/dbraw/zinc/85/46/35/952854635.db2.gz HJRUPSOGGOCLJY-AWEZNQCLSA-N 1 0 381.440 1.397 20 0 GDADRO Cc1ncoc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001571179899 952855769 /nfs/dbraw/zinc/85/57/69/952855769.db2.gz JPTSIUPDAYSDET-OAHLLOKOSA-N 1 0 381.440 1.804 20 0 GDADRO Cc1conc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571181010 952863173 /nfs/dbraw/zinc/86/31/73/952863173.db2.gz SYKBRTCGDOANCS-BLLLJJGKSA-N 1 0 381.440 1.804 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)[C@H]2C)on1 ZINC001571181411 952865143 /nfs/dbraw/zinc/86/51/43/952865143.db2.gz WERLZFQMQNBLRE-XJKSGUPXSA-N 1 0 381.440 1.946 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001571182691 952867019 /nfs/dbraw/zinc/86/70/19/952867019.db2.gz BRBBCUJYEYCSQS-HNNXBMFYSA-N 1 0 381.440 1.598 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc[nH]c3)C2)cc1-c1nn[nH]n1 ZINC001571182681 952867059 /nfs/dbraw/zinc/86/70/59/952867059.db2.gz BLCGBWKQJREJGA-CQSZACIVSA-N 1 0 381.440 1.455 20 0 GDADRO C[C@@H](NC(=O)c1cocn1)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571182785 952868753 /nfs/dbraw/zinc/86/87/53/952868753.db2.gz FRJDJLDPTUNXDA-ZIAGYGMSSA-N 1 0 381.440 1.885 20 0 GDADRO O=C(c1ccccn1)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571183131 952873736 /nfs/dbraw/zinc/87/37/36/952873736.db2.gz PPXQIBLGEWUOFR-CQSZACIVSA-N 1 0 381.415 1.653 20 0 GDADRO COc1cccc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)c1 ZINC001571183344 952876551 /nfs/dbraw/zinc/87/65/51/952876551.db2.gz XSRYBLFSXCKEOV-SJKOYZFVSA-N 1 0 381.440 1.454 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)Cc2ccon2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571183375 952877893 /nfs/dbraw/zinc/87/78/93/952877893.db2.gz YXAGYAKJXRCODK-DLBZAZTESA-N 1 0 381.440 1.567 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@H]2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001571185604 952902775 /nfs/dbraw/zinc/90/27/75/952902775.db2.gz NULDBQQUZPRYRP-OCCSQVGLSA-N 1 0 381.444 1.116 20 0 GDADRO Cc1[nH]nc(C(=O)N[C@H]2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c1C ZINC001571186303 952906927 /nfs/dbraw/zinc/90/69/27/952906927.db2.gz WDECDGBBZCVJKT-JSGCOSHPSA-N 1 0 381.444 1.034 20 0 GDADRO Cc1c[nH]c(C(=O)N2CCCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)n1 ZINC001571189325 952928103 /nfs/dbraw/zinc/92/81/03/952928103.db2.gz UZAOZKLKRWJQOM-CYBMUJFWSA-N 1 0 381.444 1.130 20 0 GDADRO CC(F)(F)C(=O)N1CCC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571194142 952957784 /nfs/dbraw/zinc/95/77/84/952957784.db2.gz JAALPEQXSXGUPM-LLVKDONJSA-N 1 0 382.390 1.989 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1F)C[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001571194760 952967911 /nfs/dbraw/zinc/96/79/11/952967911.db2.gz SBPGYTQKZUQGPD-NSHDSACASA-N 1 0 382.390 1.941 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccnnc1 ZINC001571196003 952979533 /nfs/dbraw/zinc/97/95/33/952979533.db2.gz GOHBBORWKWIBKE-MEDUHNTESA-N 1 0 382.403 1.189 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)Cc3ncccc3F)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571196472 952981339 /nfs/dbraw/zinc/98/13/39/952981339.db2.gz KYTDLIUDKVKNGT-GFCCVEGCSA-N 1 0 382.403 1.042 20 0 GDADRO Cc1cc(N2CCC[C@H]([C@@H](C)NC(=O)c3cnco3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571200148 953007853 /nfs/dbraw/zinc/00/78/53/953007853.db2.gz BCRJJPUZASJBNO-OLZOCXBDSA-N 1 0 382.428 1.593 20 0 GDADRO Cc1nocc1C(=O)N1C[C@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571201075 953013898 /nfs/dbraw/zinc/01/38/98/953013898.db2.gz JHGIQPYHYFDSSD-GWCFXTLKSA-N 1 0 382.428 1.109 20 0 GDADRO O=C(c1ncccn1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571201446 953017463 /nfs/dbraw/zinc/01/74/63/953017463.db2.gz QASINTAWJBGRHY-AWEZNQCLSA-N 1 0 382.403 1.190 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)[C@H]1CC12CC2 ZINC001571210014 953069633 /nfs/dbraw/zinc/06/96/33/953069633.db2.gz LTHLQGNDDUFUIX-LVQVYYBASA-N 1 0 382.443 1.600 20 0 GDADRO C[C@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210171 953070128 /nfs/dbraw/zinc/07/01/28/953070128.db2.gz NNDWSPPBQVPTRX-KBXCAEBGSA-N 1 0 382.468 1.398 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1=CCOCC1 ZINC001571210837 953074976 /nfs/dbraw/zinc/07/49/76/953074976.db2.gz YABAFXRNGVIEJJ-UHFFFAOYSA-N 1 0 382.468 1.730 20 0 GDADRO O=C(N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C1)C12CC[NH+](CC1)C2 ZINC001571216878 953104819 /nfs/dbraw/zinc/10/48/19/953104819.db2.gz BKAUFFMQZAOJKQ-ZIAGYGMSSA-N 1 0 382.472 1.054 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[nH]n2)nc1)C12CC[NH+](CC1)C2 ZINC001571217297 953107344 /nfs/dbraw/zinc/10/73/44/953107344.db2.gz DXNBOMASCOTYFB-HUUCEWRRSA-N 1 0 382.472 1.197 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCN(C(=O)c2oncc2C)C1 ZINC001571218517 953115970 /nfs/dbraw/zinc/11/59/70/953115970.db2.gz AECLCCAXUOFTPF-CQSZACIVSA-N 1 0 383.412 1.176 20 0 GDADRO Cc1c[nH]cc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571229348 953169184 /nfs/dbraw/zinc/16/91/84/953169184.db2.gz CSTYIYNPMUZZFZ-PXAZEXFGSA-N 1 0 383.431 1.893 20 0 GDADRO Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571229361 953169377 /nfs/dbraw/zinc/16/93/77/953169377.db2.gz CSXQLPFKIFOYCP-SJKOYZFVSA-N 1 0 383.431 1.893 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)n1C ZINC001571229497 953169870 /nfs/dbraw/zinc/16/98/70/953169870.db2.gz GPIPNYDLCFGIKY-OAHLLOKOSA-N 1 0 383.431 1.657 20 0 GDADRO Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232140 953186375 /nfs/dbraw/zinc/18/63/75/953186375.db2.gz BUEZFNXKJWATCW-KKUMJFAQSA-N 1 0 383.456 1.319 20 0 GDADRO CCc1cccnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571233753 953195608 /nfs/dbraw/zinc/19/56/08/953195608.db2.gz CKKBTIDGMLLTDG-BETUJISGSA-N 1 0 383.481 1.936 20 0 GDADRO Cn1nccc1C[NH2+][C@@H]1CCCCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571233904 953197120 /nfs/dbraw/zinc/19/71/20/953197120.db2.gz HLLAGBVVGJPGKA-CQSZACIVSA-N 1 0 383.460 1.103 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cncs1 ZINC001571233979 953197862 /nfs/dbraw/zinc/19/78/62/953197862.db2.gz JPGQRBNINRNTIY-ZDUSSCGKSA-N 1 0 383.481 1.965 20 0 GDADRO O=C(CCc1cscn1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234233 953199993 /nfs/dbraw/zinc/19/99/93/953199993.db2.gz QKCKDADTWOMVLT-OAHLLOKOSA-N 1 0 383.481 1.647 20 0 GDADRO O=C(Cc1cscn1)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234402 953201156 /nfs/dbraw/zinc/20/11/56/953201156.db2.gz WHIQASKQQXVZQE-MRXNPFEDSA-N 1 0 383.481 1.647 20 0 GDADRO Cc1c[nH]c(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)n1 ZINC001571239234 953236990 /nfs/dbraw/zinc/23/69/90/953236990.db2.gz ICJNQDZGDRVAQP-ZUZCIYMTSA-N 1 0 384.419 1.288 20 0 GDADRO O=C(c1ncc[nH]1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571241571 953247221 /nfs/dbraw/zinc/24/72/21/953247221.db2.gz DQNHSSVRVYOGFU-ZDUSSCGKSA-N 1 0 384.419 1.513 20 0 GDADRO CCc1noc(C)c1C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571242920 953261048 /nfs/dbraw/zinc/26/10/48/953261048.db2.gz RAMCFQSYNFTSDT-GFCCVEGCSA-N 1 0 384.444 1.306 20 0 GDADRO Cc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)ns1 ZINC001571245580 953274479 /nfs/dbraw/zinc/27/44/79/953274479.db2.gz VWPBZFIJWNXGHL-UHFFFAOYSA-N 1 0 384.469 1.673 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)c2cscn2)CC1 ZINC001571246074 953280443 /nfs/dbraw/zinc/28/04/43/953280443.db2.gz RVWWPRKBGKQMLF-NSHDSACASA-N 1 0 384.469 1.493 20 0 GDADRO CO[C@@H](C(=O)N1CCC([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1)C1CC1 ZINC001571247732 953284975 /nfs/dbraw/zinc/28/49/75/953284975.db2.gz CSRGKCLQDNCWKY-GOSISDBHSA-N 1 0 384.484 1.715 20 0 GDADRO CC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC001571247744 953285540 /nfs/dbraw/zinc/28/55/40/953285540.db2.gz DCAYWELKIZCBCE-HNNXBMFYSA-N 1 0 384.484 1.764 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571247720 953285709 /nfs/dbraw/zinc/28/57/09/953285709.db2.gz CJNJVEBQJSLROM-QZTJIDSGSA-N 1 0 384.484 1.715 20 0 GDADRO C[C@@H]1CN(C(=O)COC2CCCC2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571247818 953286189 /nfs/dbraw/zinc/28/61/89/953286189.db2.gz FOCFHNAWSOCHOG-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](CC(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571248703 953296167 /nfs/dbraw/zinc/29/61/67/953296167.db2.gz YBIXQKNEFOOKGO-KDOFPFPSSA-N 1 0 384.484 1.620 20 0 GDADRO Cc1nocc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571248939 953298817 /nfs/dbraw/zinc/29/88/17/953298817.db2.gz MHTFHBFJIFQQFT-WBMJQRKESA-N 1 0 384.444 1.664 20 0 GDADRO CC[C@@H](C(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]21)[NH+](C)C ZINC001571249052 953300471 /nfs/dbraw/zinc/30/04/71/953300471.db2.gz BUUXIBXGIMLKTP-HRCADAONSA-N 1 0 384.488 1.029 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001571249194 953301809 /nfs/dbraw/zinc/30/18/09/953301809.db2.gz FPHAJRNETVSCCK-XJKSGUPXSA-N 1 0 384.488 1.077 20 0 GDADRO O=C(C[C@H]1CCCOC1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571249642 953306011 /nfs/dbraw/zinc/30/60/11/953306011.db2.gz KAMNTEINIRFRPD-SJORKVTESA-N 1 0 384.484 1.622 20 0 GDADRO Cc1cc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571250337 953310192 /nfs/dbraw/zinc/31/01/92/953310192.db2.gz QUKXZSLMSNHFHC-BZNIZROVSA-N 1 0 384.444 1.522 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CCC(O)CC1 ZINC001571250265 953310230 /nfs/dbraw/zinc/31/02/30/953310230.db2.gz PTKLMWFTFCSSQO-ACRJREAUSA-N 1 0 384.484 1.402 20 0 GDADRO O=C([C@@H]1CCCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571251093 953314294 /nfs/dbraw/zinc/31/42/94/953314294.db2.gz VXFFOTIHLSNEQS-SJLPKXTDSA-N 1 0 384.484 1.622 20 0 GDADRO CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[nH]n2)nc1)[NH+](C)C ZINC001571251589 953318731 /nfs/dbraw/zinc/31/87/31/953318731.db2.gz ZTHWREOENCBGIE-HLLBOEOZSA-N 1 0 384.488 1.172 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001571252079 953323552 /nfs/dbraw/zinc/32/35/52/953323552.db2.gz GUAOVLBBYGQZTG-DZGCQCFKSA-N 1 0 384.488 1.315 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571252262 953326365 /nfs/dbraw/zinc/32/63/65/953326365.db2.gz JDYDUDBUDSCZEL-CKEIUWERSA-N 1 0 384.488 1.252 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NCC2CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001571252682 953332072 /nfs/dbraw/zinc/33/20/72/953332072.db2.gz UAFWTNFEJFPLNW-ZBCRRDGASA-N 1 0 384.488 1.361 20 0 GDADRO CC1(NC(=O)c2ccon2)CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571254054 953335726 /nfs/dbraw/zinc/33/57/26/953335726.db2.gz CNOAQVKOEUKFDE-UHFFFAOYSA-N 1 0 385.403 1.778 20 0 GDADRO C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001571254432 953338845 /nfs/dbraw/zinc/33/88/45/953338845.db2.gz GNFXNKQLRHHBGQ-LBPRGKRZSA-N 1 0 385.403 1.588 20 0 GDADRO O=C(Cc1cnoc1)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571254396 953339385 /nfs/dbraw/zinc/33/93/85/953339385.db2.gz GJIIGLSYNSSPPF-UHFFFAOYSA-N 1 0 385.403 1.221 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)no1 ZINC001571254775 953341622 /nfs/dbraw/zinc/34/16/22/953341622.db2.gz IQKGKPQWJQCUNN-AWEZNQCLSA-N 1 0 385.403 1.697 20 0 GDADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2Cl)C1 ZINC001571254729 953341956 /nfs/dbraw/zinc/34/19/56/953341956.db2.gz GUJRORRJZRVDNE-NSHDSACASA-N 1 0 384.893 1.530 20 0 GDADRO Cc1cnoc1C(=O)NC1CC(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571255654 953352383 /nfs/dbraw/zinc/35/23/83/953352383.db2.gz RLISDJCMMHSFCQ-UHFFFAOYSA-N 1 0 385.403 1.600 20 0 GDADRO Cc1ncoc1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571255709 953354591 /nfs/dbraw/zinc/35/45/91/953354591.db2.gz SLVXEMNHYDKETL-CQSZACIVSA-N 1 0 385.403 1.697 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)[C@@H]1c1cccs1 ZINC001332348863 957755067 /nfs/dbraw/zinc/75/50/67/957755067.db2.gz USEHUTGGZKRWJE-RDTXWAMCSA-N 1 0 394.541 1.979 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)[C@H]1c1cccs1 ZINC001332348861 957756048 /nfs/dbraw/zinc/75/60/48/957756048.db2.gz USEHUTGGZKRWJE-KSSFIOAISA-N 1 0 394.541 1.979 20 0 GDADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000874416600 969395114 /nfs/dbraw/zinc/39/51/14/969395114.db2.gz SNWBDVMLAVPUES-UHFFFAOYSA-N 1 0 376.501 1.351 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC001603768318 974216971 /nfs/dbraw/zinc/21/69/71/974216971.db2.gz MZWZGSIISWTKGA-LPHOPBHVSA-N 1 0 388.512 1.810 20 0 GDADRO C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC001592706787 979179584 /nfs/dbraw/zinc/17/95/84/979179584.db2.gz MXISTKBBSMXQBF-JKSUJKDBSA-N 1 0 376.501 1.575 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC001594515990 985891609 /nfs/dbraw/zinc/89/16/09/985891609.db2.gz MIPGCAAHMDRJTC-WBVHZDCISA-N 1 0 377.489 1.265 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001594516351 985901092 /nfs/dbraw/zinc/90/10/92/985901092.db2.gz ODRLIGKYTPQPMD-INIZCTEOSA-N 1 0 389.500 1.236 20 0 GDADRO C[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2C[NH+]2CC[C@H](O)[C@H](C)C2)CC[C@H]1O ZINC001594542325 986182120 /nfs/dbraw/zinc/18/21/20/986182120.db2.gz KHRPXFLGDKGVRF-IONDEXAJSA-N 1 0 376.497 1.790 20 0 GDADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(O)(C(=O)[O-])CC1 ZINC001589399443 986560440 /nfs/dbraw/zinc/56/04/40/986560440.db2.gz YSJMUZMDVJTRGN-MRXNPFEDSA-N 1 0 389.496 1.067 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589399603 986561911 /nfs/dbraw/zinc/56/19/11/986561911.db2.gz ZYKTYTXEFRNHJS-ONZODILHSA-N 1 0 385.508 1.952 20 0 GDADRO C[NH+](C)CCNC(=O)C1CC[NH+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001598232255 990943821 /nfs/dbraw/zinc/94/38/21/990943821.db2.gz IOGLBVKSSXYMDY-INIZCTEOSA-N 1 0 385.867 1.995 20 0 GDADRO C[C@H](NC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001593064171 993596481 /nfs/dbraw/zinc/59/64/81/993596481.db2.gz VGCNABQMTUTLAV-IKGGRYGDSA-N 1 0 380.533 1.830 20 0 GDADRO C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[C@@H](C(=O)[O-])C1 ZINC001598605154 993636054 /nfs/dbraw/zinc/63/60/54/993636054.db2.gz CXMOHSSSBMWHEU-OALUTQOASA-N 1 0 385.508 1.764 20 0 GDADRO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2ccc(Br)c(F)c2)CC1 ZINC001598617040 993904969 /nfs/dbraw/zinc/90/49/69/993904969.db2.gz NJGAVOVCARLILC-UHFFFAOYSA-N 1 0 388.281 1.722 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC[NH2+]1 ZINC001594256996 998988941 /nfs/dbraw/zinc/98/89/41/998988941.db2.gz BPDMPLLHANKQEZ-GDBMZVCRSA-N 1 0 375.473 1.155 20 0 GDADRO O=S(=O)(c1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)o1)N1CCCC1 ZINC000369317666 1126079781 /nfs/dbraw/zinc/07/97/81/1126079781.db2.gz OENPGQTUWRYEKX-UHFFFAOYSA-N 1 0 376.478 1.684 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000782544803 1126109672 /nfs/dbraw/zinc/10/96/72/1126109672.db2.gz QRIXZVYZVVRTBD-HOTGVXAUSA-N 1 0 397.928 1.898 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)cc1 ZINC000873190638 1126118042 /nfs/dbraw/zinc/11/80/42/1126118042.db2.gz BPUKDLQOWBMTTH-NRFANRHFSA-N 1 0 385.512 1.320 20 0 GDADRO CCOC(=O)c1cc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)on1 ZINC001560185414 1126209977 /nfs/dbraw/zinc/20/99/77/1126209977.db2.gz UIFCLDZVYAEDPN-LJQANCHMSA-N 1 0 378.425 1.952 20 0 GDADRO CN(CC[NH2+]Cc1ccc(-n2cncn2)cc1)S(=O)(=O)c1cccs1 ZINC000158258218 530531182 /nfs/dbraw/zinc/53/11/82/530531182.db2.gz HVYRERFJFQWICO-UHFFFAOYSA-N 1 0 377.495 1.739 20 0 GDADRO C[NH+](C)C1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000158410180 530532794 /nfs/dbraw/zinc/53/27/94/530532794.db2.gz OXGUXYZOJJNYFM-OAHLLOKOSA-N 1 0 380.286 1.826 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000158490476 530533397 /nfs/dbraw/zinc/53/33/97/530533397.db2.gz WZVIGBAEIQBOIS-DZGCQCFKSA-N 1 0 385.555 1.709 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1Br ZINC000158913617 530537830 /nfs/dbraw/zinc/53/78/30/530537830.db2.gz AHRXOKNEGWVUDS-GFCCVEGCSA-N 1 0 395.294 1.713 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000159092254 530539719 /nfs/dbraw/zinc/53/97/19/530539719.db2.gz PGHXMDBALNKVKN-JTQLQIEISA-N 1 0 390.303 1.168 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H](C)C[NH+]2CCCC2)s1 ZINC000159114028 530539732 /nfs/dbraw/zinc/53/97/32/530539732.db2.gz NAAKUFCNCXKMJP-ZDUSSCGKSA-N 1 0 388.559 1.366 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000159129278 530540034 /nfs/dbraw/zinc/54/00/34/530540034.db2.gz KKXDEAFQHUTAPS-PBHICJAKSA-N 1 0 383.539 1.422 20 0 GDADRO C[NH+](C)CCCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCCC3 ZINC000005934943 530540136 /nfs/dbraw/zinc/54/01/36/530540136.db2.gz PYTOHZKMYCDVFM-UHFFFAOYSA-N 1 0 380.539 1.866 20 0 GDADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000159231653 530541879 /nfs/dbraw/zinc/54/18/79/530541879.db2.gz HJJDMDCDNVZOMN-QGZVFWFLSA-N 1 0 390.281 1.993 20 0 GDADRO CO[C@H]1CCN(C(=O)c2csc(I)c2)[C@@H](C[NH3+])C1 ZINC000161063345 530557391 /nfs/dbraw/zinc/55/73/91/530557391.db2.gz MVYHNXGZOWOVBT-ZJUUUORDSA-N 1 0 380.251 1.931 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000162447090 530568265 /nfs/dbraw/zinc/56/82/65/530568265.db2.gz UPXWZISRXAPXFL-LBPRGKRZSA-N 1 0 383.290 1.973 20 0 GDADRO C[C@@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000163132515 530573688 /nfs/dbraw/zinc/57/36/88/530573688.db2.gz WAQIIFFKLGNYOY-JFUSQASVSA-N 1 0 381.230 1.399 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000163227376 530574133 /nfs/dbraw/zinc/57/41/33/530574133.db2.gz KLBLTMSDTLDWFN-CYBMUJFWSA-N 1 0 395.294 1.699 20 0 GDADRO CCC[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)nc2)CCN1CCOC ZINC000166010274 530581637 /nfs/dbraw/zinc/58/16/37/530581637.db2.gz SYHNMBHIQBLHKE-OAHLLOKOSA-N 1 0 375.922 1.998 20 0 GDADRO C[C@@]12CCC(=O)N1[C@H](C(=O)NCC1([NH+]3CCSCC3)CCCC1)CS2 ZINC000029369820 530595378 /nfs/dbraw/zinc/59/53/78/530595378.db2.gz YXYNCYPSGHVMID-WMLDXEAASA-N 1 0 383.583 1.918 20 0 GDADRO CC[NH+]1CCN(CCC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC1 ZINC000171210586 530595829 /nfs/dbraw/zinc/59/58/29/530595829.db2.gz HPTXKSNPAXUSIO-UHFFFAOYSA-N 1 0 375.441 1.649 20 0 GDADRO C[N@H+](CCNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)Cc1ccccc1 ZINC000171325548 530597718 /nfs/dbraw/zinc/59/77/18/530597718.db2.gz QKUNVMJMEHNAQP-UHFFFAOYSA-N 1 0 381.885 1.849 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000171533791 530600479 /nfs/dbraw/zinc/60/04/79/530600479.db2.gz VWLBWVFZOCJUNV-SNVBAGLBSA-N 1 0 380.297 1.469 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000171758490 530602555 /nfs/dbraw/zinc/60/25/55/530602555.db2.gz CICYGXPZVOITES-CYBMUJFWSA-N 1 0 392.319 1.237 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000037024908 530615671 /nfs/dbraw/zinc/61/56/71/530615671.db2.gz TYQDTVGETRXYOB-GWCFXTLKSA-N 1 0 377.304 1.258 20 0 GDADRO Cc1cc(I)ccc1NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000037029235 530615707 /nfs/dbraw/zinc/61/57/07/530615707.db2.gz TXCCCKNIMYCLCD-SNVBAGLBSA-N 1 0 396.250 1.300 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)[C@H](C[NH3+])C1 ZINC000167297457 530584273 /nfs/dbraw/zinc/58/42/73/530584273.db2.gz SXRMQPLTDMGKKV-WDEREUQCSA-N 1 0 381.267 1.715 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000041605094 530622516 /nfs/dbraw/zinc/62/25/16/530622516.db2.gz KUXAQHZWYMTWGO-LLVKDONJSA-N 1 0 389.905 1.529 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000041719167 530624018 /nfs/dbraw/zinc/62/40/18/530624018.db2.gz YUGIELCCYHVEJO-UHFFFAOYSA-N 1 0 397.317 1.450 20 0 GDADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173215255 530626121 /nfs/dbraw/zinc/62/61/21/530626121.db2.gz OIJNGCVEMVKOSO-LBPRGKRZSA-N 1 0 382.233 1.999 20 0 GDADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCN1CC[NH+](C)CC1 ZINC000042856363 530631960 /nfs/dbraw/zinc/63/19/60/530631960.db2.gz APUGSKHMXROXJJ-GFCCVEGCSA-N 1 0 388.281 1.719 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000042883286 530632163 /nfs/dbraw/zinc/63/21/63/530632163.db2.gz RCRSJEXJARGKOH-ZDUSSCGKSA-N 1 0 396.285 1.775 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000174028625 530642161 /nfs/dbraw/zinc/64/21/61/530642161.db2.gz CTWKLVHPNXAHKJ-LBPRGKRZSA-N 1 0 394.946 1.706 20 0 GDADRO COc1ccc(Br)cc1CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000172970303 530620386 /nfs/dbraw/zinc/62/03/86/530620386.db2.gz YKSJJWBQVCFGKO-UHFFFAOYSA-N 1 0 384.318 1.754 20 0 GDADRO COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)C[NH+](C)C ZINC000176251545 530680471 /nfs/dbraw/zinc/68/04/71/530680471.db2.gz AKWPNSZTEIBQSS-CQSZACIVSA-N 1 0 382.258 1.692 20 0 GDADRO CCS(=O)(=O)NCCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000051684601 530680561 /nfs/dbraw/zinc/68/05/61/530680561.db2.gz ZSWOWFIZNVRYLG-INIZCTEOSA-N 1 0 376.567 1.372 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174303739 530645926 /nfs/dbraw/zinc/64/59/26/530645926.db2.gz LVCKCNZFZGRVQQ-CHWSQXEVSA-N 1 0 385.302 1.914 20 0 GDADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000176378649 530682549 /nfs/dbraw/zinc/68/25/49/530682549.db2.gz KGNTXTILZOOGSY-SNVBAGLBSA-N 1 0 376.320 1.783 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000174525657 530649550 /nfs/dbraw/zinc/64/95/50/530649550.db2.gz BHSVTHLLKQEHGJ-LBPRGKRZSA-N 1 0 393.962 1.822 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174546461 530650782 /nfs/dbraw/zinc/65/07/82/530650782.db2.gz DFPZLFCBHHJGEU-GFCCVEGCSA-N 1 0 393.289 1.835 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174840769 530655028 /nfs/dbraw/zinc/65/50/28/530655028.db2.gz ZLGZEYTUQHQPMM-UHFFFAOYSA-N 1 0 390.253 1.563 20 0 GDADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000175303727 530663206 /nfs/dbraw/zinc/66/32/06/530663206.db2.gz ATXBKIKJJMIKRJ-CYBMUJFWSA-N 1 0 379.448 1.928 20 0 GDADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCN1CC[NH+](C)CC1 ZINC000047840276 530663388 /nfs/dbraw/zinc/66/33/88/530663388.db2.gz ROMWVMNBIQQRPS-LBPRGKRZSA-N 1 0 387.311 1.475 20 0 GDADRO CC1(C)CN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000175402628 530664704 /nfs/dbraw/zinc/66/47/04/530664704.db2.gz CHGZESUDERCOPF-UHFFFAOYSA-N 1 0 379.404 1.194 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000175405038 530664831 /nfs/dbraw/zinc/66/48/31/530664831.db2.gz UIWFISNZMSLVAW-CQSZACIVSA-N 1 0 387.933 1.951 20 0 GDADRO CC1(C)CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC[NH2+]1 ZINC000175434319 530665609 /nfs/dbraw/zinc/66/56/09/530665609.db2.gz JBLZCWPDYNZNTF-UHFFFAOYSA-N 1 0 394.269 1.646 20 0 GDADRO 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O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000194385089 531004867 /nfs/dbraw/zinc/00/48/67/531004867.db2.gz CSPVNGZDAWCVLR-DYVFJYSZSA-N 1 0 395.297 1.933 20 0 GDADRO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000245906937 531061243 /nfs/dbraw/zinc/06/12/43/531061243.db2.gz CLGQAEWENAOZDU-SUHUHFCYSA-N 1 0 377.222 1.798 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)NCCN(C)S(=O)(=O)c2cccs2)CC[N@@H+]1C ZINC000130743415 531063801 /nfs/dbraw/zinc/06/38/01/531063801.db2.gz SVXRTYZTTMWELG-ZIAGYGMSSA-N 1 0 388.559 1.493 20 0 GDADRO CC[N@H+](C)CCNS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000130915165 531065161 /nfs/dbraw/zinc/06/51/61/531065161.db2.gz BBGWXQVMBKWPTI-UHFFFAOYSA-N 1 0 379.276 1.450 20 0 GDADRO CCc1nsc(N2CCC[N@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)n1 ZINC000246303742 531065822 /nfs/dbraw/zinc/06/58/22/531065822.db2.gz LUCXXYCLTLBXII-CQSZACIVSA-N 1 0 387.575 1.284 20 0 GDADRO CC(C)([NH3+])CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000236595363 531037686 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GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000236730337 531040024 /nfs/dbraw/zinc/04/00/24/531040024.db2.gz KXCZEWKPBMBTBR-HNNXBMFYSA-N 1 0 375.922 1.840 20 0 GDADRO CC(C)[C@@](C)(C[NH3+])NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000236817829 531040183 /nfs/dbraw/zinc/04/01/83/531040183.db2.gz VCECWBUWKABROI-QGZVFWFLSA-N 1 0 387.571 1.955 20 0 GDADRO CCC[C@H]([NH3+])C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000236820418 531040221 /nfs/dbraw/zinc/04/02/21/531040221.db2.gz YHVOWLJSHYZPOK-HNNXBMFYSA-N 1 0 398.301 1.626 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1Br ZINC000236764671 531040637 /nfs/dbraw/zinc/04/06/37/531040637.db2.gz ONFHSROASNTULD-JTQLQIEISA-N 1 0 376.276 1.438 20 0 GDADRO C[NH2+]C1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000237064437 531041697 /nfs/dbraw/zinc/04/16/97/531041697.db2.gz DSMINBZTCAFKEG-UHFFFAOYSA-N 1 0 394.324 1.872 20 0 GDADRO CC[NH2+]CCNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000237024469 531041847 /nfs/dbraw/zinc/04/18/47/531041847.db2.gz GSKHCUKFGPLVMU-UHFFFAOYSA-N 1 0 391.280 1.427 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NCCCC[NH3+])ccc1Br ZINC000237080801 531042748 /nfs/dbraw/zinc/04/27/48/531042748.db2.gz PUJAJPCPOAFUFV-UHFFFAOYSA-N 1 0 378.292 1.168 20 0 GDADRO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCCC[NH3+] ZINC000237290614 531044401 /nfs/dbraw/zinc/04/44/01/531044401.db2.gz ZITUKNOTGALEDO-CYBMUJFWSA-N 1 0 388.331 1.766 20 0 GDADRO COCC[NH2+]CCNC(=O)c1cc(Br)nn1-c1ccc(C)cc1 ZINC000237316833 531044856 /nfs/dbraw/zinc/04/48/56/531044856.db2.gz ZAQVNYCXEYOLNT-UHFFFAOYSA-N 1 0 381.274 1.909 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000237341634 531045396 /nfs/dbraw/zinc/04/53/96/531045396.db2.gz OZNYGWAOMZELNC-ZDUSSCGKSA-N 1 0 378.479 1.763 20 0 GDADRO C[C@@H]1CCCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)[C@@H]1C[NH3+] ZINC000237406504 531046175 /nfs/dbraw/zinc/04/61/75/531046175.db2.gz OJOXTTKUEQXWRM-BXUZGUMPSA-N 1 0 396.285 1.760 20 0 GDADRO C[C@@H]1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[C@H]1C[NH3+] ZINC000237411764 531046221 /nfs/dbraw/zinc/04/62/21/531046221.db2.gz SNGRBKSKJOAYPE-HIFRSBDPSA-N 1 0 385.555 1.661 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000237430255 531046742 /nfs/dbraw/zinc/04/67/42/531046742.db2.gz YQWPXEZWHLEZMK-GFCCVEGCSA-N 1 0 389.315 1.681 20 0 GDADRO C[C@H]1CN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000237585092 531047898 /nfs/dbraw/zinc/04/78/98/531047898.db2.gz BCYYPCMNZKVTDV-JTQLQIEISA-N 1 0 380.297 1.482 20 0 GDADRO C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CCCC[NH2+]1 ZINC000237561360 531047943 /nfs/dbraw/zinc/04/79/43/531047943.db2.gz BZRCELUVSAXHPR-KRWDZBQOSA-N 1 0 385.917 1.705 20 0 GDADRO C[C@@](C[NH3+])(NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C1CC1 ZINC000237627220 531048557 /nfs/dbraw/zinc/04/85/57/531048557.db2.gz YVQGRHNRUHNVOT-HNNXBMFYSA-N 1 0 389.315 1.608 20 0 GDADRO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237758021 531049339 /nfs/dbraw/zinc/04/93/39/531049339.db2.gz KRHRIWNCZIBBBR-LBPRGKRZSA-N 1 0 383.436 1.054 20 0 GDADRO C[C@H]1CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)[C@@H](C)C[NH2+]1 ZINC000237735241 531049367 /nfs/dbraw/zinc/04/93/67/531049367.db2.gz ALRKALKFXICOSH-QWRGUYRKSA-N 1 0 394.269 1.644 20 0 GDADRO [NH3+]C1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CCCCCC1 ZINC000237826173 531050919 /nfs/dbraw/zinc/05/09/19/531050919.db2.gz IDUXCXLXYRIAOS-UHFFFAOYSA-N 1 0 379.935 1.848 20 0 GDADRO O=C(C[C@@H]1CSCC[NH2+]1)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000237863584 531051495 /nfs/dbraw/zinc/05/14/95/531051495.db2.gz KVRNJDDPRQKXEX-MRXNPFEDSA-N 1 0 382.961 1.673 20 0 GDADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)C1 ZINC000237895336 531052116 /nfs/dbraw/zinc/05/21/16/531052116.db2.gz NOUYMKNGAUXEHZ-SNVBAGLBSA-N 1 0 391.287 1.580 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cc(Br)cs2)C1 ZINC000237892141 531052121 /nfs/dbraw/zinc/05/21/21/531052121.db2.gz SVKQMTWUPOTQOH-PGLGOXFNSA-N 1 0 386.315 1.837 20 0 GDADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129636054 531053396 /nfs/dbraw/zinc/05/33/96/531053396.db2.gz VYGSTYLBAMWQGN-CJNGLKHVSA-N 1 0 382.302 1.630 20 0 GDADRO O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H](O)COc1ccccc1Br ZINC000238006103 531053637 /nfs/dbraw/zinc/05/36/37/531053637.db2.gz VEAQGTVMQMZJDN-QWHCGFSZSA-N 1 0 387.274 1.074 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000237988109 531053645 /nfs/dbraw/zinc/05/36/45/531053645.db2.gz FILKZRAABIWOPR-HZMBPMFUSA-N 1 0 386.265 1.952 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1 ZINC000238009365 531053682 /nfs/dbraw/zinc/05/36/82/531053682.db2.gz KWOKHPPGCJACJC-KGLIPLIRSA-N 1 0 385.917 1.690 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000129673365 531053803 /nfs/dbraw/zinc/05/38/03/531053803.db2.gz SYGMWDBHZNJKRM-CYBMUJFWSA-N 1 0 397.317 1.772 20 0 GDADRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000238036295 531054068 /nfs/dbraw/zinc/05/40/68/531054068.db2.gz QZDFDRLQABRFRI-ZFWWWQNUSA-N 1 0 385.917 1.690 20 0 GDADRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000238036338 531054226 /nfs/dbraw/zinc/05/42/26/531054226.db2.gz SNDLVYSIFJXTAY-RYUDHWBXSA-N 1 0 391.946 1.752 20 0 GDADRO O=C(C[C@@H]1CC[NH2+]C1)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000129750813 531054453 /nfs/dbraw/zinc/05/44/53/531054453.db2.gz FTDFWZYXFGYFHK-AWEZNQCLSA-N 1 0 385.555 1.581 20 0 GDADRO C[C@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245201818 531056662 /nfs/dbraw/zinc/05/66/62/531056662.db2.gz MWGQBFYMOUXMQA-HZSPNIEDSA-N 1 0 387.933 1.996 20 0 GDADRO O=C(CCN1C(=O)COc2cc(Br)ccc21)NC[C@H]1CCCC[NH2+]1 ZINC000130345519 531059916 /nfs/dbraw/zinc/05/99/16/531059916.db2.gz WEXBMKAUKYOJCI-CYBMUJFWSA-N 1 0 396.285 1.823 20 0 GDADRO Cc1cc(Br)ccc1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000131785807 531075019 /nfs/dbraw/zinc/07/50/19/531075019.db2.gz HXORWGMAHYZJQB-UHFFFAOYSA-N 1 0 398.345 1.877 20 0 GDADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(C(N)=O)cs2)cc1 ZINC000131794213 531075195 /nfs/dbraw/zinc/07/51/95/531075195.db2.gz HXVNCCILFDWZEH-UHFFFAOYSA-N 1 0 381.523 1.965 20 0 GDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1cccc(Br)c1 ZINC000131812178 531075814 /nfs/dbraw/zinc/07/58/14/531075814.db2.gz UZXPSYGMVRQGLN-UHFFFAOYSA-N 1 0 384.318 1.569 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000131982353 531076464 /nfs/dbraw/zinc/07/64/64/531076464.db2.gz QOVNNJQBPNXQMA-AWEZNQCLSA-N 1 0 381.782 1.726 20 0 GDADRO CC(C)C(=O)N1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261991060 531104264 /nfs/dbraw/zinc/10/42/64/531104264.db2.gz RHSFPIHWVDHKTA-QGZVFWFLSA-N 1 0 382.302 1.950 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COc3ccc(I)cc3)C[C@H]12 ZINC000248611427 531080247 /nfs/dbraw/zinc/08/02/47/531080247.db2.gz KYKKLMHRBNXCEM-LEWSCRJBSA-N 1 0 386.233 1.866 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000248667290 531080571 /nfs/dbraw/zinc/08/05/71/531080571.db2.gz XACRBWSUGFMHSM-KWBADKCTSA-N 1 0 375.853 1.795 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000132376634 531080850 /nfs/dbraw/zinc/08/08/50/531080850.db2.gz BZHRULNYMNAJAH-GFCCVEGCSA-N 1 0 388.921 1.342 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000132589904 531082302 /nfs/dbraw/zinc/08/23/02/531082302.db2.gz TWXFOEGPZKZASW-GFCCVEGCSA-N 1 0 379.404 1.324 20 0 GDADRO C[C@@H](NC(=O)CCC(=O)N1CC[C@H]([NH3+])C1)C(=O)c1ccc(Br)cc1 ZINC000132574854 531082371 /nfs/dbraw/zinc/08/23/71/531082371.db2.gz MCJPKWUYPBZXEF-RISCZKNCSA-N 1 0 396.285 1.476 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)s1 ZINC000248974012 531083015 /nfs/dbraw/zinc/08/30/15/531083015.db2.gz DERGLTCKBATKDX-KBPBESRZSA-N 1 0 387.571 1.825 20 0 GDADRO C[C@H](CO)[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@H](C)O ZINC000248989717 531083721 /nfs/dbraw/zinc/08/37/21/531083721.db2.gz WXHHMUWHBILYKD-NTZNESFSSA-N 1 0 396.709 1.906 20 0 GDADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@H](CO)O1 ZINC000249290186 531085228 /nfs/dbraw/zinc/08/52/28/531085228.db2.gz MGTFCYAOFPDJNA-RAIGVLPGSA-N 1 0 394.693 1.924 20 0 GDADRO CCN(CCCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)S(C)(=O)=O ZINC000249811423 531089643 /nfs/dbraw/zinc/08/96/43/531089643.db2.gz ZFYJYHXNBWPOJZ-NVXWUHKLSA-N 1 0 376.567 1.468 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 ZINC000133449433 531091958 /nfs/dbraw/zinc/09/19/58/531091958.db2.gz UWRXQSAKEWKYBC-HNNXBMFYSA-N 1 0 385.555 1.764 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000133720351 531094449 /nfs/dbraw/zinc/09/44/49/531094449.db2.gz MJTPYJCTRPPFKA-GFCCVEGCSA-N 1 0 386.265 1.919 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000261636728 531094509 /nfs/dbraw/zinc/09/45/09/531094509.db2.gz CZBLZBYFCCJCGY-LLVKDONJSA-N 1 0 375.441 1.090 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000261656622 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CO[C@H]1CCN(CC(=O)N(C)Cc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000261830589 531099816 /nfs/dbraw/zinc/09/98/16/531099816.db2.gz HZTFUCBWKIBXCN-GJZGRUSLSA-N 1 0 384.318 1.846 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cs1 ZINC000261831600 531100005 /nfs/dbraw/zinc/10/00/05/531100005.db2.gz PZZCVCNXFYJRCY-CYBMUJFWSA-N 1 0 385.898 1.836 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000261846448 531100437 /nfs/dbraw/zinc/10/04/37/531100437.db2.gz PSHKUNCRKHOOSN-UONOGXRCSA-N 1 0 385.555 1.661 20 0 GDADRO C[C@H](NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[C@H](C)N1CCOCC1 ZINC000261870226 531101117 /nfs/dbraw/zinc/10/11/17/531101117.db2.gz XUDSYJDMIWWONR-GDZNZVCISA-N 1 0 384.318 1.848 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000261880465 531101132 /nfs/dbraw/zinc/10/11/32/531101132.db2.gz UEZLCBBCCNRNTC-JMSVASOKSA-N 1 0 380.286 1.998 20 0 GDADRO C[C@@H]1C[NH2+]CCN1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000261910164 531102458 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1.757 20 0 GDADRO CCOC(=O)C1(C)CCC([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000474805435 531283479 /nfs/dbraw/zinc/28/34/79/531283479.db2.gz UBDKCPUEXIVSIR-XOYHFGRZSA-N 1 0 389.539 1.984 20 0 GDADRO CC[N@H+](CCO)CCNCc1c(F)ccc(I)c1F ZINC000474931888 531285966 /nfs/dbraw/zinc/28/59/66/531285966.db2.gz NYZHPGXUDUNCGR-UHFFFAOYSA-N 1 0 384.208 1.973 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000474897509 531285535 /nfs/dbraw/zinc/28/55/35/531285535.db2.gz UGXZYTUWUYSYGH-UHFFFAOYSA-N 1 0 389.543 1.323 20 0 GDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000410468627 531288078 /nfs/dbraw/zinc/28/80/78/531288078.db2.gz BEAASUITJORGAK-ZDUSSCGKSA-N 1 0 382.302 1.960 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1cncc(Br)c1 ZINC000265823453 531289965 /nfs/dbraw/zinc/28/99/65/531289965.db2.gz BKHGDMZRRWWLMO-UHFFFAOYSA-N 1 0 391.335 1.102 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000475041857 531290390 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GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCC2(C)C)cc[nH+]1 ZINC000349547648 531317679 /nfs/dbraw/zinc/31/76/79/531317679.db2.gz VJISUEMZQKUHOU-AWEZNQCLSA-N 1 0 375.516 1.052 20 0 GDADRO CC[C@@H]1CN(C(=O)Cc2cc[nH]c(=O)c2Br)CC[N@@H+]1CCOC ZINC000277904501 531319718 /nfs/dbraw/zinc/31/97/18/531319718.db2.gz FODRRJPSCNXVPL-CYBMUJFWSA-N 1 0 386.290 1.661 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000291839725 531316481 /nfs/dbraw/zinc/31/64/81/531316481.db2.gz GQEMQIUAYOKCRW-SNVBAGLBSA-N 1 0 392.319 1.555 20 0 GDADRO CC(C)CC[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000411488576 531325819 /nfs/dbraw/zinc/32/58/19/531325819.db2.gz LGGNGTRIPPZTCN-KGLIPLIRSA-N 1 0 375.535 1.440 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)c1 ZINC000439343115 531321012 /nfs/dbraw/zinc/32/10/12/531321012.db2.gz CFRNIYJKCWKVKQ-NSHDSACASA-N 1 0 384.274 1.949 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000439559377 531324159 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CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000292049214 531331503 /nfs/dbraw/zinc/33/15/03/531331503.db2.gz YZEHCTDBBZUIMB-CYBMUJFWSA-N 1 0 375.922 1.853 20 0 GDADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(I)c2)C1 ZINC000440335606 531334029 /nfs/dbraw/zinc/33/40/29/531334029.db2.gz GGXFZAQXEAGYKE-JTQLQIEISA-N 1 0 380.251 1.651 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266277834 531334693 /nfs/dbraw/zinc/33/46/93/531334693.db2.gz SPXHONSZIDGZRP-LLVKDONJSA-N 1 0 381.278 1.284 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000440363322 531335681 /nfs/dbraw/zinc/33/56/81/531335681.db2.gz IFQJSNVJXMXLSF-AWEZNQCLSA-N 1 0 375.516 1.211 20 0 GDADRO COc1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(OC)cc1Br ZINC000440844590 531347860 /nfs/dbraw/zinc/34/78/60/531347860.db2.gz ILUHLSSTJCPEAG-UWVGGRQHSA-N 1 0 393.303 1.824 20 0 GDADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)CC1 ZINC000440844359 531348290 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CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000278220706 531344490 /nfs/dbraw/zinc/34/44/90/531344490.db2.gz JBKHLHVDBQCZBE-YPMHNXCESA-N 1 0 399.289 1.385 20 0 GDADRO O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000440802892 531344778 /nfs/dbraw/zinc/34/47/78/531344778.db2.gz SZKSRSLYQGAGNL-GFCCVEGCSA-N 1 0 379.404 1.399 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1Br ZINC000440799343 531345002 /nfs/dbraw/zinc/34/50/02/531345002.db2.gz BLZBFAJTPJIBJD-LLVKDONJSA-N 1 0 390.303 1.828 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000440799300 531345464 /nfs/dbraw/zinc/34/54/64/531345464.db2.gz KDKLQDOZOVFUHI-LBPRGKRZSA-N 1 0 394.946 1.634 20 0 GDADRO COc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(OC)cc1Br ZINC000440800042 531345470 /nfs/dbraw/zinc/34/54/70/531345470.db2.gz DJVYVEWSXABGMI-ONGXEEELSA-N 1 0 393.303 1.743 20 0 GDADRO CCC[NH2+]CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000440836575 531347144 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GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000278484679 531363709 /nfs/dbraw/zinc/36/37/09/531363709.db2.gz AYJCSWYYCYCCES-LLVKDONJSA-N 1 0 383.290 1.971 20 0 GDADRO Cn1cc(I)c(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000412390227 531366393 /nfs/dbraw/zinc/36/63/93/531366393.db2.gz IHYHEUVKDHTDSH-LLVKDONJSA-N 1 0 390.269 1.905 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000441954544 531367287 /nfs/dbraw/zinc/36/72/87/531367287.db2.gz JTWXJVPKFLSMSY-JTQLQIEISA-N 1 0 399.232 1.583 20 0 GDADRO Cc1nc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000278549388 531367501 /nfs/dbraw/zinc/36/75/01/531367501.db2.gz PFTZNFUPBPYEGX-QWHCGFSZSA-N 1 0 381.274 1.834 20 0 GDADRO Cc1nc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000278549384 531368159 /nfs/dbraw/zinc/36/81/59/531368159.db2.gz PFTZNFUPBPYEGX-OLZOCXBDSA-N 1 0 381.274 1.834 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000528700557 531372396 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/nfs/dbraw/zinc/47/91/33/531479133.db2.gz QUGULDYYTDEMDO-JTQLQIEISA-N 1 0 387.221 1.345 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415370296 531479746 /nfs/dbraw/zinc/47/97/46/531479746.db2.gz DJNLVRCFIHBSGG-NSHDSACASA-N 1 0 383.290 1.841 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000487979235 531480042 /nfs/dbraw/zinc/48/00/42/531480042.db2.gz ZMGONHAOJZVIRP-KURKYZTESA-N 1 0 376.563 1.954 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415372286 531480938 /nfs/dbraw/zinc/48/09/38/531480938.db2.gz GGMLSAGERVTFCI-LBPRGKRZSA-N 1 0 392.257 1.442 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000415407817 531483161 /nfs/dbraw/zinc/48/31/61/531483161.db2.gz GLDUYVSIXVEVJQ-LLVKDONJSA-N 1 0 384.274 1.902 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415404889 531483581 /nfs/dbraw/zinc/48/35/81/531483581.db2.gz NJRICMWEZZZQFT-MRVPVSSYSA-N 1 0 376.201 1.782 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000415409483 531483819 /nfs/dbraw/zinc/48/38/19/531483819.db2.gz DMKLNLPMJVITQP-GFCCVEGCSA-N 1 0 384.933 1.803 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415550490 531493433 /nfs/dbraw/zinc/49/34/33/531493433.db2.gz CLDRXKZJCILWCT-QWRGUYRKSA-N 1 0 384.274 1.995 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC[NH2+]1 ZINC000415435038 531486151 /nfs/dbraw/zinc/48/61/51/531486151.db2.gz NHMNHDFWLWLUFZ-SNVBAGLBSA-N 1 0 377.242 1.756 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(I)cc2)CC[C@H]1[NH3+] ZINC000415446813 531486818 /nfs/dbraw/zinc/48/68/18/531486818.db2.gz IMTQTXGWZZOPPX-JOYOIKCWSA-N 1 0 387.221 1.425 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000415458203 531487803 /nfs/dbraw/zinc/48/78/03/531487803.db2.gz YBAMBTWTHSDDPO-GHMZBOCLSA-N 1 0 384.274 1.982 20 0 GDADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545157992 531488546 /nfs/dbraw/zinc/48/85/46/531488546.db2.gz PBHSGZFZMSOADO-AWEZNQCLSA-N 1 0 377.304 1.411 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415468863 531489112 /nfs/dbraw/zinc/48/91/12/531489112.db2.gz ZFOBLTNCFNDBLX-UHFFFAOYSA-N 1 0 375.210 1.392 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415472120 531490003 /nfs/dbraw/zinc/49/00/03/531490003.db2.gz UTQQZFYEDKYNIY-SNVBAGLBSA-N 1 0 377.242 1.886 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415475921 531490143 /nfs/dbraw/zinc/49/01/43/531490143.db2.gz ASEMZMRBONHUTN-SNVBAGLBSA-N 1 0 377.242 1.886 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccccc1I ZINC000415504592 531490965 /nfs/dbraw/zinc/49/09/65/531490965.db2.gz YZGMBKJFQHMYTF-UHFFFAOYSA-N 1 0 389.237 1.863 20 0 GDADRO CCC[NH+]1CCC(N(C)C(=O)c2cnn(C)c2I)CC1 ZINC000294670129 531491008 /nfs/dbraw/zinc/49/10/08/531491008.db2.gz RUHMJFSSQCQTAN-UHFFFAOYSA-N 1 0 390.269 1.971 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])cc1I ZINC000415517044 531492018 /nfs/dbraw/zinc/49/20/18/531492018.db2.gz KRWFFMMUPJVNIU-MRVPVSSYSA-N 1 0 375.210 1.249 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000545984703 531492780 /nfs/dbraw/zinc/49/27/80/531492780.db2.gz OGCUFSAXCVZMBT-BFHYXJOUSA-N 1 0 389.543 1.620 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415544562 531492807 /nfs/dbraw/zinc/49/28/07/531492807.db2.gz UHRATPPKWIDCSA-JGVFFNPUSA-N 1 0 376.201 1.862 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N[C@H](C)CC[NH3+])c1 ZINC000415357373 531478223 /nfs/dbraw/zinc/47/82/23/531478223.db2.gz HFGWVWNQKSNQIA-MRVPVSSYSA-N 1 0 391.209 1.937 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415659526 531510836 /nfs/dbraw/zinc/51/08/36/531510836.db2.gz AIHDCLZVYCWEGR-KOLCDFICSA-N 1 0 398.257 1.431 20 0 GDADRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000489829434 531510988 /nfs/dbraw/zinc/51/09/88/531510988.db2.gz ZRGGEPCQRDRLDE-BBRMVZONSA-N 1 0 385.555 1.745 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000581720252 531511117 /nfs/dbraw/zinc/51/11/17/531511117.db2.gz AZQQSNJSAKYZRY-DYVFJYSZSA-N 1 0 380.286 1.666 20 0 GDADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000581727132 531512184 /nfs/dbraw/zinc/51/21/84/531512184.db2.gz JFZWDGNLFJILMW-KRWDZBQOSA-N 1 0 381.270 1.975 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)c2ccccc2O1 ZINC000363850184 531512162 /nfs/dbraw/zinc/51/21/62/531512162.db2.gz XXMBWOKAUOYWFO-UONOGXRCSA-N 1 0 384.523 1.263 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489886731 531512160 /nfs/dbraw/zinc/51/21/60/531512160.db2.gz UCEDYEXOFHVWEK-XJKSGUPXSA-N 1 0 381.318 1.756 20 0 GDADRO O=C(Nc1ccc2nccnc2c1Br)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415677549 531512268 /nfs/dbraw/zinc/51/22/68/531512268.db2.gz UXADFROKCLOXAS-AOOOYVTPSA-N 1 0 390.241 1.009 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1I ZINC000415688725 531513486 /nfs/dbraw/zinc/51/34/86/531513486.db2.gz WHXICOIBESTWJP-ONGXEEELSA-N 1 0 387.221 1.486 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000635839530 531513727 /nfs/dbraw/zinc/51/37/27/531513727.db2.gz CIPDMQHCYSJGKH-NSHDSACASA-N 1 0 377.436 1.937 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000635839529 531513877 /nfs/dbraw/zinc/51/38/77/531513877.db2.gz CIPDMQHCYSJGKH-LLVKDONJSA-N 1 0 377.436 1.937 20 0 GDADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415700623 531515862 /nfs/dbraw/zinc/51/58/62/531515862.db2.gz ABHKPRLOFNIWGZ-LBPRGKRZSA-N 1 0 399.264 1.033 20 0 GDADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415709262 531517300 /nfs/dbraw/zinc/51/73/00/531517300.db2.gz MPXAQCNTBWBVDB-LBPRGKRZSA-N 1 0 399.264 1.033 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCC[NH2+]1 ZINC000415708551 531517413 /nfs/dbraw/zinc/51/74/13/531517413.db2.gz ODHSINLIEGIORH-HNNXBMFYSA-N 1 0 378.231 1.956 20 0 GDADRO Cc1cc(I)cc(NC(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000415717614 531518176 /nfs/dbraw/zinc/51/81/76/531518176.db2.gz YQWDDFWJVAOGBO-GFCCVEGCSA-N 1 0 375.210 1.791 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415550821 531493687 /nfs/dbraw/zinc/49/36/87/531493687.db2.gz WIQQROCBTSCODR-UHFFFAOYSA-N 1 0 383.290 1.666 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000415549959 531493764 /nfs/dbraw/zinc/49/37/64/531493764.db2.gz UKTAGWIRWFGXDS-UHFFFAOYSA-N 1 0 397.163 1.186 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415550488 531493826 /nfs/dbraw/zinc/49/38/26/531493826.db2.gz CLDRXKZJCILWCT-GHMZBOCLSA-N 1 0 384.274 1.995 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1Br ZINC000415545835 531493966 /nfs/dbraw/zinc/49/39/66/531493966.db2.gz WSNJZCQKRVRGIP-WDEREUQCSA-N 1 0 384.274 1.982 20 0 GDADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000489178930 531494760 /nfs/dbraw/zinc/49/47/60/531494760.db2.gz BGXWSKSRVWDIIM-HUUCEWRRSA-N 1 0 377.551 1.052 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)[C@@H](C)C[NH2+]1 ZINC000415556862 531494746 /nfs/dbraw/zinc/49/47/46/531494746.db2.gz ITXBRNCOAJVEDQ-YUMQZZPRSA-N 1 0 376.201 1.875 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(I)cc2)[C@H](C)C[NH2+]1 ZINC000415567657 531495452 /nfs/dbraw/zinc/49/54/52/531495452.db2.gz QKNRHOKREQOTCZ-NXEZZACHSA-N 1 0 387.221 1.439 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc3c(Br)ccnc23)CCC1 ZINC000415563647 531495619 /nfs/dbraw/zinc/49/56/19/531495619.db2.gz RQLAGQFTENZRPC-UHFFFAOYSA-N 1 0 377.242 1.933 20 0 GDADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000489316995 531495922 /nfs/dbraw/zinc/49/59/22/531495922.db2.gz AOQSRECYTFISIH-INIZCTEOSA-N 1 0 376.567 1.084 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)[C@@H](C)C[NH2+]1 ZINC000415578232 531497377 /nfs/dbraw/zinc/49/73/77/531497377.db2.gz ZTWLVVCZGZYHIV-ZJUUUORDSA-N 1 0 392.257 1.540 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000415584759 531498561 /nfs/dbraw/zinc/49/85/61/531498561.db2.gz TUTAXCRRKWKAHH-VHRBIJSZSA-N 1 0 396.285 1.982 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415584378 531498812 /nfs/dbraw/zinc/49/88/12/531498812.db2.gz WLHLBNQFHXJWIJ-JGVFFNPUSA-N 1 0 376.201 1.862 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)NCC[N@@H+]2CCCOCC2)s1 ZINC000280456550 531499293 /nfs/dbraw/zinc/49/92/93/531499293.db2.gz RXVSGDALKSBKDX-UHFFFAOYSA-N 1 0 375.516 1.063 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCO1 ZINC000415595690 531499786 /nfs/dbraw/zinc/49/97/86/531499786.db2.gz AIIBISBDJKVDFH-LLVKDONJSA-N 1 0 376.638 1.227 20 0 GDADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cnn(C)c1I ZINC000294818742 531500185 /nfs/dbraw/zinc/50/01/85/531500185.db2.gz FXWWHTWKSFDQEJ-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CCO1 ZINC000415597607 531501033 /nfs/dbraw/zinc/50/10/33/531501033.db2.gz JLJXEVJXBITRFE-SECBINFHSA-N 1 0 376.638 1.227 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000415596275 531501874 /nfs/dbraw/zinc/50/18/74/531501874.db2.gz LUBHMZKEYOMOJM-UHFFFAOYSA-N 1 0 396.241 1.210 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000280492617 531502202 /nfs/dbraw/zinc/50/22/02/531502202.db2.gz ASHTYSSXYRDJDL-UHFFFAOYSA-N 1 0 376.240 1.739 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1Br ZINC000415612898 531503025 /nfs/dbraw/zinc/50/30/25/531503025.db2.gz LINZPBIEZITDCU-ZANVPECISA-N 1 0 398.257 1.288 20 0 GDADRO COC(=O)c1cccc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)c1Br ZINC000415617186 531504322 /nfs/dbraw/zinc/50/43/22/531504322.db2.gz VCACXLOPIKLAKK-JTQLQIEISA-N 1 0 386.246 1.736 20 0 GDADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000294901025 531506046 /nfs/dbraw/zinc/50/60/46/531506046.db2.gz XGRMNWHGQRKCCS-IINYFYTJSA-N 1 0 380.279 1.658 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415649119 531506996 /nfs/dbraw/zinc/50/69/96/531506996.db2.gz PGAQWOFQYYAOHT-QWRGUYRKSA-N 1 0 398.257 1.560 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415649472 531508399 /nfs/dbraw/zinc/50/83/99/531508399.db2.gz AGEKZVNTYNVHRN-LLVKDONJSA-N 1 0 394.273 1.688 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000557144630 531508650 /nfs/dbraw/zinc/50/86/50/531508650.db2.gz KSQPKWVKGBIXIW-ZDUSSCGKSA-N 1 0 397.317 1.949 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415656241 531508713 /nfs/dbraw/zinc/50/87/13/531508713.db2.gz LERMURHCYXWWQF-MRVPVSSYSA-N 1 0 393.200 1.483 20 0 GDADRO CN1CCN(C(=O)NCc2ccc(Br)cc2Cl)[C@@H](C[NH3+])C1 ZINC000557137584 531508722 /nfs/dbraw/zinc/50/87/22/531508722.db2.gz BHXGTUYMHJRISJ-LBPRGKRZSA-N 1 0 375.698 1.887 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000635895813 531520653 /nfs/dbraw/zinc/52/06/53/531520653.db2.gz OXSLMMOJSOXHDW-LLVKDONJSA-N 1 0 377.869 1.215 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N(C)C2C[NH2+]C2)c(I)c1 ZINC000415728574 531521325 /nfs/dbraw/zinc/52/13/25/531521325.db2.gz ADPCMWKJDGRMRU-UHFFFAOYSA-N 1 0 391.184 1.107 20 0 GDADRO COC(=O)[C@@H](O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000610995428 531522037 /nfs/dbraw/zinc/52/20/37/531522037.db2.gz OMGFQGWBBLXFIL-WBMJQRKESA-N 1 0 392.279 1.979 20 0 GDADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415735520 531522380 /nfs/dbraw/zinc/52/23/80/531522380.db2.gz ZFAYTOJPJYTISY-LBPRGKRZSA-N 1 0 399.264 1.033 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000581881691 531522264 /nfs/dbraw/zinc/52/22/64/531522264.db2.gz CGBBYTRCXMLLSL-SWLSCSKDSA-N 1 0 382.302 1.755 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415750138 531523417 /nfs/dbraw/zinc/52/34/17/531523417.db2.gz STRLYBKYOOSBDO-RYUDHWBXSA-N 1 0 396.285 1.773 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000415748770 531524058 /nfs/dbraw/zinc/52/40/58/531524058.db2.gz QCGYFXAVGPGKME-QWRGUYRKSA-N 1 0 382.258 1.464 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1I ZINC000295117878 531524080 /nfs/dbraw/zinc/52/40/80/531524080.db2.gz YZEDNYZNLAVOFE-MNOVXSKESA-N 1 0 388.253 1.724 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000658696726 531524474 /nfs/dbraw/zinc/52/44/74/531524474.db2.gz SOZWSOVSDSXQKY-UHFFFAOYSA-N 1 0 398.276 1.493 20 0 GDADRO COc1cc(I)ccc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415774360 531526579 /nfs/dbraw/zinc/52/65/79/531526579.db2.gz PJSWKGCWZXUNSS-SNVBAGLBSA-N 1 0 391.209 1.410 20 0 GDADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415770851 531526809 /nfs/dbraw/zinc/52/68/09/531526809.db2.gz ZCNRMDUSYRNNFM-GFCCVEGCSA-N 1 0 381.274 1.631 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582004605 531526903 /nfs/dbraw/zinc/52/69/03/531526903.db2.gz WTWFBWBKFZPQJB-SUMWQHHRSA-N 1 0 385.917 1.609 20 0 GDADRO C[C@@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)CC[N@@H+](C2CCC2)C1 ZINC000557837661 531527594 /nfs/dbraw/zinc/52/75/94/531527594.db2.gz RTPGUWYXSHEQRB-NSHDSACASA-N 1 0 393.289 1.833 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000280711741 531527996 /nfs/dbraw/zinc/52/79/96/531527996.db2.gz LKSBYHSLLGZSSX-LLVKDONJSA-N 1 0 383.283 1.550 20 0 GDADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000550821178 531528587 /nfs/dbraw/zinc/52/85/87/531528587.db2.gz BDGSNKGZIBRWSP-DLBZAZTESA-N 1 0 376.563 1.689 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnc(OC)c(Br)c2C)C1 ZINC000658786262 531529673 /nfs/dbraw/zinc/52/96/73/531529673.db2.gz ZGGUNSNLQUEQDJ-NSHDSACASA-N 1 0 399.289 1.700 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000415782893 531530298 /nfs/dbraw/zinc/53/02/98/531530298.db2.gz HMYRIRRBFZJTFW-GFCCVEGCSA-N 1 0 399.289 1.078 20 0 GDADRO COCCOc1ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)cc1Cl ZINC000415791504 531531287 /nfs/dbraw/zinc/53/12/87/531531287.db2.gz QWULYZPGWVELHW-LLVKDONJSA-N 1 0 379.791 1.402 20 0 GDADRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280725112 531531963 /nfs/dbraw/zinc/53/19/63/531531963.db2.gz NMZPNOVBAPKGMA-ZANVPECISA-N 1 0 395.344 1.615 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415789164 531531918 /nfs/dbraw/zinc/53/19/18/531531918.db2.gz PECQTJMHOBQLLO-QMMMGPOBSA-N 1 0 395.628 1.737 20 0 GDADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)n2)s1 ZINC000415828789 531537600 /nfs/dbraw/zinc/53/76/00/531537600.db2.gz GEJUSGIVRUHHFV-NSHDSACASA-N 1 0 380.495 1.613 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415832855 531538702 /nfs/dbraw/zinc/53/87/02/531538702.db2.gz LXOCPIODAJKHPP-JTQLQIEISA-N 1 0 388.237 1.330 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1F)C(F)(F)F ZINC000659088332 531539429 /nfs/dbraw/zinc/53/94/29/531539429.db2.gz GVTPGYAHYLPOQN-LURJTMIESA-N 1 0 390.106 1.672 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000582184280 531539963 /nfs/dbraw/zinc/53/99/63/531539963.db2.gz UOHPIEMGFMXZEL-CJNGLKHVSA-N 1 0 383.290 1.611 20 0 GDADRO CO[C@@H]1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)[C@H](C[NH3+])C1 ZINC000582181993 531540049 /nfs/dbraw/zinc/54/00/49/531540049.db2.gz IKDHYSXYTYYVQL-VHSXEESVSA-N 1 0 398.257 1.358 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000364159545 531540009 /nfs/dbraw/zinc/54/00/09/531540009.db2.gz HCMDTTRDBJPHAJ-GDBMZVCRSA-N 1 0 385.555 1.345 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000364172292 531540288 /nfs/dbraw/zinc/54/02/88/531540288.db2.gz VBXXGNUEGOOHJF-NWDGAFQWSA-N 1 0 391.946 1.623 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)C[C@@]1(C)C[NH3+] ZINC000415837325 531540518 /nfs/dbraw/zinc/54/05/18/531540518.db2.gz GEAANPONQLPMMS-QLJPJBMISA-N 1 0 387.889 1.125 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000364159546 531540801 /nfs/dbraw/zinc/54/08/01/531540801.db2.gz HCMDTTRDBJPHAJ-GOEBONIOSA-N 1 0 385.555 1.345 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1cc(Cl)ccc1Br ZINC000415834301 531540791 /nfs/dbraw/zinc/54/07/91/531540791.db2.gz NWSMICSCFXQRAU-JTQLQIEISA-N 1 0 390.665 1.536 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCCC1)c1ccc(Br)cn1 ZINC000558001959 531541088 /nfs/dbraw/zinc/54/10/88/531541088.db2.gz JEDQKYHRHZVCKO-LBPRGKRZSA-N 1 0 383.290 1.576 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1Cl ZINC000415846985 531541807 /nfs/dbraw/zinc/54/18/07/531541807.db2.gz WMAPNBXOMHKJNU-NSHDSACASA-N 1 0 383.754 1.692 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415842621 531541912 /nfs/dbraw/zinc/54/19/12/531541912.db2.gz XHNFROXMRCGAPA-CMPLNLGQSA-N 1 0 384.274 1.948 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000659106651 531542156 /nfs/dbraw/zinc/54/21/56/531542156.db2.gz VALINHMFINBKHP-GFCCVEGCSA-N 1 0 390.893 1.140 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000415841976 531542410 /nfs/dbraw/zinc/54/24/10/531542410.db2.gz RDZFLVLQXILBSQ-SNVBAGLBSA-N 1 0 398.179 1.792 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415853870 531543266 /nfs/dbraw/zinc/54/32/66/531543266.db2.gz MHRNUMZKPCPHKN-LBPRGKRZSA-N 1 0 378.782 1.317 20 0 GDADRO CCN(C(=O)C(=O)NCCc1cccc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000611947544 531544187 /nfs/dbraw/zinc/54/41/87/531544187.db2.gz KOHNDOAZQCYGPA-OAHLLOKOSA-N 1 0 382.302 1.660 20 0 GDADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415859179 531544523 /nfs/dbraw/zinc/54/45/23/531544523.db2.gz UDTPPEJETNKAPH-LBPRGKRZSA-N 1 0 384.933 1.799 20 0 GDADRO C[C@H]([NH2+]CCSCCCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280820280 531544592 /nfs/dbraw/zinc/54/45/92/531544592.db2.gz WNIDUSBRJVPQNZ-JTQLQIEISA-N 1 0 397.360 1.863 20 0 GDADRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000636230943 531544640 /nfs/dbraw/zinc/54/46/40/531544640.db2.gz SMPUGWPBZXYGFA-KGLIPLIRSA-N 1 0 382.448 1.448 20 0 GDADRO CCN(C(=O)C(=O)NCCc1cccc(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000611947543 531544881 /nfs/dbraw/zinc/54/48/81/531544881.db2.gz KOHNDOAZQCYGPA-HNNXBMFYSA-N 1 0 382.302 1.660 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c(F)cc1Br ZINC000415869236 531546366 /nfs/dbraw/zinc/54/63/66/531546366.db2.gz ZTFNWWDNUYMGRU-JTQLQIEISA-N 1 0 388.237 1.411 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000364225012 531546330 /nfs/dbraw/zinc/54/63/30/531546330.db2.gz FEBARXCDDTWFJX-KKUMJFAQSA-N 1 0 378.535 1.814 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000415867274 531546519 /nfs/dbraw/zinc/54/65/19/531546519.db2.gz AMXVSNRICFETQA-SDDRHHMPSA-N 1 0 396.285 1.901 20 0 GDADRO O=C(NCCCNC(=O)c1cccc(Br)c1)NCC12CC(C1)C[NH2+]2 ZINC000659448694 531547660 /nfs/dbraw/zinc/54/76/60/531547660.db2.gz YBKSNHMKNKMROE-UHFFFAOYSA-N 1 0 395.301 1.620 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC(O)(C[NH3+])CC2)cc1Br ZINC000415876074 531548188 /nfs/dbraw/zinc/54/81/88/531548188.db2.gz AWSCJJWLZLYDGK-UHFFFAOYSA-N 1 0 384.274 1.317 20 0 GDADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415871250 531548445 /nfs/dbraw/zinc/54/84/45/531548445.db2.gz PZYKAOBZIXNRRR-MRVPVSSYSA-N 1 0 376.201 1.924 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415873774 531548619 /nfs/dbraw/zinc/54/86/19/531548619.db2.gz VMGWSFZCPLBKLH-UHFFFAOYSA-N 1 0 376.201 1.924 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000582600408 531549204 /nfs/dbraw/zinc/54/92/04/531549204.db2.gz IFGHDHSXPSUKOK-DGCLKSJQSA-N 1 0 382.291 1.946 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000364247368 531549563 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CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])sc2c1CCCS2 ZINC000415801334 531533689 /nfs/dbraw/zinc/53/36/89/531533689.db2.gz GIECSMVEFVMGIY-RKDXNWHRSA-N 1 0 385.511 1.754 20 0 GDADRO O=C(Nc1ccc2nccnc2c1Br)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415814669 531536092 /nfs/dbraw/zinc/53/60/92/531536092.db2.gz ITCRWCWMYGTUBU-SKDRFNHKSA-N 1 0 390.241 1.151 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659708259 531555211 /nfs/dbraw/zinc/55/52/11/531555211.db2.gz OEXDVHVFHSDGIJ-LJRHVDQYSA-N 1 0 396.285 1.585 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000659714797 531556729 /nfs/dbraw/zinc/55/67/29/531556729.db2.gz VXKTWNGYGHJZSJ-ZDUSSCGKSA-N 1 0 385.295 1.510 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C2 ZINC000659722696 531557368 /nfs/dbraw/zinc/55/73/68/531557368.db2.gz GCLIDFGWWDUVSL-ZDUSSCGKSA-N 1 0 396.285 1.094 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000659728979 531557798 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CCOC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000269632807 531700067 /nfs/dbraw/zinc/70/00/67/531700067.db2.gz QIXBJTFXTFQMDG-GXTWGEPZSA-N 1 0 386.290 1.892 20 0 GDADRO C[NH2+]CCCN(C)C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000662575468 531690141 /nfs/dbraw/zinc/69/01/41/531690141.db2.gz PFFJAKZRVNXOCK-UHFFFAOYSA-N 1 0 395.301 1.588 20 0 GDADRO C[C@@]([NH3+])(C(=O)N1CCN([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000662654421 531691511 /nfs/dbraw/zinc/69/15/11/531691511.db2.gz CJTBRGRUAOMYRI-RDJZCZTQSA-N 1 0 382.302 1.556 20 0 GDADRO N[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1Br ZINC000662717349 531693458 /nfs/dbraw/zinc/69/34/58/531693458.db2.gz OAGDGJLJMFDJQK-XHSDSOJGSA-N 1 0 382.302 1.507 20 0 GDADRO C[C@H]1C[C@]1([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000503362933 531693507 /nfs/dbraw/zinc/69/35/07/531693507.db2.gz AGYMEXCDCASKRA-SUMWQHHRSA-N 1 0 387.933 1.562 20 0 GDADRO C[C@]12C[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C[C@@]1(C)C(=O)NC2=O ZINC000639951425 531711102 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GDADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000269669974 531708168 /nfs/dbraw/zinc/70/81/68/531708168.db2.gz OWWRGWJHCNLGFW-SNVBAGLBSA-N 1 0 392.499 1.330 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C[C@@H]1O ZINC000664787383 531727212 /nfs/dbraw/zinc/72/72/12/531727212.db2.gz SGGDOZHBVRYUKG-PUPMMZHASA-N 1 0 386.265 1.760 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C[C@@H]1O ZINC000664825545 531728989 /nfs/dbraw/zinc/72/89/89/531728989.db2.gz UEGCURXBSTZLQX-RDBSUJKOSA-N 1 0 384.274 1.589 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1 ZINC000640268457 531730094 /nfs/dbraw/zinc/73/00/94/531730094.db2.gz DWHAVEACCGBOIM-UHFFFAOYSA-N 1 0 386.543 1.952 20 0 GDADRO C[C@]12C[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C[C@@]1(C)C(=O)NC2=O ZINC000639951498 531713023 /nfs/dbraw/zinc/71/30/23/531713023.db2.gz NGJASEKGCIAYKT-JLZZUVOBSA-N 1 0 397.269 1.173 20 0 GDADRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000282159690 531714120 /nfs/dbraw/zinc/71/41/20/531714120.db2.gz DHELPLSEZILWPR-GSDQLPOLSA-N 1 0 395.344 1.658 20 0 GDADRO C[C@]1(NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[NH2+]C1 ZINC000663609077 531715958 /nfs/dbraw/zinc/71/59/58/531715958.db2.gz QIZCROFRMYCUOK-INIZCTEOSA-N 1 0 377.242 1.804 20 0 GDADRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccc(I)cc1 ZINC000591329101 531716266 /nfs/dbraw/zinc/71/62/66/531716266.db2.gz UMWUSUHOJDLVOL-UHFFFAOYSA-N 1 0 382.267 1.910 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2cc(Br)cc3[nH]cnc32)CC1 ZINC000282180657 531716334 /nfs/dbraw/zinc/71/63/34/531716334.db2.gz VTZUIDZIEVJHSQ-UHFFFAOYSA-N 1 0 380.290 1.693 20 0 GDADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000366286676 531732585 /nfs/dbraw/zinc/73/25/85/531732585.db2.gz SMDCZQLVANPUNV-KGLIPLIRSA-N 1 0 376.519 1.568 20 0 GDADRO CN1CCN(C(=O)C[N@H+](C)CCC(=O)Nc2ccccc2Br)CC1 ZINC000640059638 531720068 /nfs/dbraw/zinc/72/00/68/531720068.db2.gz UNIBFEUXAMEKEQ-UHFFFAOYSA-N 1 0 397.317 1.484 20 0 GDADRO COC(=O)[C@H](CC(C)C)N(C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451979683 531734967 /nfs/dbraw/zinc/73/49/67/531734967.db2.gz BZKYTLJGEPUSGG-AWEZNQCLSA-N 1 0 376.450 1.371 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCn1cc(CO)nn1 ZINC000562094612 531735030 /nfs/dbraw/zinc/73/50/30/531735030.db2.gz DGIFVAPQUPFKKR-LBPRGKRZSA-N 1 0 396.289 1.930 20 0 GDADRO C[C@@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C(C)(C)C[NH+](C)C ZINC000506359746 531735218 /nfs/dbraw/zinc/73/52/18/531735218.db2.gz RQLWUANMIVVGMU-CHWSQXEVSA-N 1 0 391.559 1.158 20 0 GDADRO O=C(COc1cccc(I)c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000591685833 531735738 /nfs/dbraw/zinc/73/57/38/531735738.db2.gz TYWWISYZTNFTNV-ZDUSSCGKSA-N 1 0 386.233 1.928 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)N(C)C ZINC000562114715 531736056 /nfs/dbraw/zinc/73/60/56/531736056.db2.gz ISVOMJRXNGYJKP-NSHDSACASA-N 1 0 381.420 1.904 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CCOCCO ZINC000296896714 531736735 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CNS(=O)(=O)CC[N@H+](C[C@@H](O)COc1ccccc1SC)C(C)C ZINC000621302171 531743979 /nfs/dbraw/zinc/74/39/79/531743979.db2.gz VPNNMBCMEADEPT-CQSZACIVSA-N 1 0 376.544 1.408 20 0 GDADRO CCC[NH2+]CCNC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000416910111 531744090 /nfs/dbraw/zinc/74/40/90/531744090.db2.gz GWAZARNMEDXFKW-UHFFFAOYSA-N 1 0 376.548 1.577 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000416907040 531744833 /nfs/dbraw/zinc/74/48/33/531744833.db2.gz BEBOCADUIUKLGP-CHWSQXEVSA-N 1 0 388.559 1.718 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)s1 ZINC000416915531 531746160 /nfs/dbraw/zinc/74/61/60/531746160.db2.gz MNSULHWNHFMAKN-TZMCWYRMSA-N 1 0 388.559 1.576 20 0 GDADRO C[C@@]1(CNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CCC[NH2+]C1 ZINC000416948897 531748093 /nfs/dbraw/zinc/74/80/93/531748093.db2.gz KOQHCDVKLZIVJJ-MRXNPFEDSA-N 1 0 388.921 1.307 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)nnn3C)C[C@@H]1[NH+]1CCCC1 ZINC000592045474 531752273 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C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417215475 531760496 /nfs/dbraw/zinc/76/04/96/531760496.db2.gz XAFKFHSSVOXSIW-YPMHNXCESA-N 1 0 383.290 1.558 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000562524456 531761317 /nfs/dbraw/zinc/76/13/17/531761317.db2.gz WYDOYWLMVUYAIP-DOMZBBRYSA-N 1 0 396.285 1.297 20 0 GDADRO O=C(Cn1cc(CN2CC[NH2+]CC2)nn1)Nc1ccccc1Br ZINC000640770422 531762044 /nfs/dbraw/zinc/76/20/44/531762044.db2.gz PUMBAJGXJVNIIK-UHFFFAOYSA-N 1 0 379.262 1.085 20 0 GDADRO O=C1NC(=O)[C@@H]2CN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@H]12 ZINC000562554382 531764736 /nfs/dbraw/zinc/76/47/36/531764736.db2.gz MJPZAFCIXPNMBQ-TXEJJXNPSA-N 1 0 391.225 1.127 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(C[NH3+])CC3)C2)s1 ZINC000297164124 531765182 /nfs/dbraw/zinc/76/51/82/531765182.db2.gz JXOOULJJBXYWTF-HNNXBMFYSA-N 1 0 385.555 1.655 20 0 GDADRO O=C(NCc1cn(Cc2cccc(Br)c2)nn1)C1CC[NH2+]CC1 ZINC000640841993 531765987 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C[NH+](C)C[C@H](CNS(=O)(=O)CCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000563257801 531822425 /nfs/dbraw/zinc/82/24/25/531822425.db2.gz PVNZACJWWPURTB-AWEZNQCLSA-N 1 0 396.962 1.339 20 0 GDADRO O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)N[C@H]1CCC[NH2+]C1 ZINC000418386906 531823645 /nfs/dbraw/zinc/82/36/45/531823645.db2.gz RYEZESFPNOUQOA-WFASDCNBSA-N 1 0 388.281 1.790 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418380953 531823749 /nfs/dbraw/zinc/82/37/49/531823749.db2.gz KMWZLZQZYBHWOI-DZGCQCFKSA-N 1 0 384.318 1.960 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000418365173 531823868 /nfs/dbraw/zinc/82/38/68/531823868.db2.gz DUMNVZSNFUEDII-ZDUSSCGKSA-N 1 0 388.921 1.211 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000418393007 531824109 /nfs/dbraw/zinc/82/41/09/531824109.db2.gz QMCUACXOJYAMIY-SNVBAGLBSA-N 1 0 380.440 1.634 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000418410718 531824311 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CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)c(Cl)cc21 ZINC000624362298 531839839 /nfs/dbraw/zinc/83/98/39/531839839.db2.gz NGUOCPYJZQMJDD-IUODEOHRSA-N 1 0 383.901 1.622 20 0 GDADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670393880 531831172 /nfs/dbraw/zinc/83/11/72/531831172.db2.gz LIXOITIIQIAQNK-ZDUSSCGKSA-N 1 0 384.274 1.877 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000418586741 531831800 /nfs/dbraw/zinc/83/18/00/531831800.db2.gz AEUBJVMIMCBCFJ-RISCZKNCSA-N 1 0 383.290 1.630 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000418835302 531849383 /nfs/dbraw/zinc/84/93/83/531849383.db2.gz SNWMDCAGNHNOLG-HUBLWGQQSA-N 1 0 398.276 1.804 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000418840477 531851957 /nfs/dbraw/zinc/85/19/57/531851957.db2.gz XRBKFXCEHJDCLD-LWWSYDQCSA-N 1 0 380.286 1.630 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000418842244 531852160 /nfs/dbraw/zinc/85/21/60/531852160.db2.gz IJXBWCHIKLOMIW-GFCCVEGCSA-N 1 0 382.302 1.707 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000418847735 531852961 /nfs/dbraw/zinc/85/29/61/531852961.db2.gz JSELWFLQVUOPEY-YNEHKIRRSA-N 1 0 398.301 1.591 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2cccc(Br)c2)C1 ZINC000418846322 531853015 /nfs/dbraw/zinc/85/30/15/531853015.db2.gz RHUGBHJGXXKLJG-UKRRQHHQSA-N 1 0 396.329 1.954 20 0 GDADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NC[C@H]1C[NH2+]CCO1 ZINC000563580814 531853743 /nfs/dbraw/zinc/85/37/43/531853743.db2.gz RVPPWNAUSFQJIW-CZUORRHYSA-N 1 0 397.317 1.563 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418848824 531853910 /nfs/dbraw/zinc/85/39/10/531853910.db2.gz NJAQFCMBRSMXLU-OLZOCXBDSA-N 1 0 398.276 1.600 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000418849089 531854438 /nfs/dbraw/zinc/85/44/38/531854438.db2.gz ALNDNYLHYKDYRK-HNNXBMFYSA-N 1 0 382.302 1.974 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000563571087 531854866 /nfs/dbraw/zinc/85/48/66/531854866.db2.gz MKOGRFUTKZLQMH-DZGCQCFKSA-N 1 0 379.592 1.236 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000418848648 531854996 /nfs/dbraw/zinc/85/49/96/531854996.db2.gz ZLQUEXMWGMJJJV-GUTXKFCHSA-N 1 0 396.329 1.940 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000418784609 531840723 /nfs/dbraw/zinc/84/07/23/531840723.db2.gz PQMDAKLBDMIPQM-WDEREUQCSA-N 1 0 384.274 1.283 20 0 GDADRO CN1CCc2ccc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc21 ZINC000624390571 531841169 /nfs/dbraw/zinc/84/11/69/531841169.db2.gz DNRQUUBIMOTLIO-JSGCOSHPSA-N 1 0 377.432 1.827 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000624389966 531841569 /nfs/dbraw/zinc/84/15/69/531841569.db2.gz QTAIMWHUPFBFQE-CMPLNLGQSA-N 1 0 382.404 1.852 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418802506 531842179 /nfs/dbraw/zinc/84/21/79/531842179.db2.gz DDDBQDWGZVGFEU-LNFKQOIKSA-N 1 0 386.315 1.678 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000418802778 531842869 /nfs/dbraw/zinc/84/28/69/531842869.db2.gz DNZWQDVZHBFJAJ-CKRXIKOQSA-N 1 0 398.276 1.756 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418802508 531842942 /nfs/dbraw/zinc/84/29/42/531842942.db2.gz DDDBQDWGZVGFEU-UKKRHICBSA-N 1 0 386.315 1.678 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000418802088 531843202 /nfs/dbraw/zinc/84/32/02/531843202.db2.gz DAFYMOMDIWJKOU-SWLSCSKDSA-N 1 0 398.276 1.771 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)C1 ZINC000283239114 531843364 /nfs/dbraw/zinc/84/33/64/531843364.db2.gz PXZXTPUDCHXAPX-ZDUSSCGKSA-N 1 0 390.527 1.061 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C[C@@H](C)[NH2+]1 ZINC000418813904 531844306 /nfs/dbraw/zinc/84/43/06/531844306.db2.gz UNFUIZFZDQOXPF-DSKWVYQCSA-N 1 0 398.276 1.769 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563452333 531844573 /nfs/dbraw/zinc/84/45/73/531844573.db2.gz VTINZUSKLSDXRO-UONOGXRCSA-N 1 0 381.274 1.211 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000418811429 531844659 /nfs/dbraw/zinc/84/46/59/531844659.db2.gz QDAOTMKQCOUCJL-SMDDNHRTSA-N 1 0 384.249 1.510 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418813929 531844736 /nfs/dbraw/zinc/84/47/36/531844736.db2.gz UQOPFHXSQZSWEG-WRWGMCAJSA-N 1 0 398.326 1.836 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418820305 531846857 /nfs/dbraw/zinc/84/68/57/531846857.db2.gz RUPDWYQNTCPSQD-CORIIIEPSA-N 1 0 386.279 1.460 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000367597003 531847597 /nfs/dbraw/zinc/84/75/97/531847597.db2.gz LCDLWVCYASOGIW-IACUBPJLSA-N 1 0 387.527 1.395 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccccc3Br)C[C@@H]12 ZINC000418824437 531848014 /nfs/dbraw/zinc/84/80/14/531848014.db2.gz JATYADAIFHVLHA-OKKJVPACSA-N 1 0 392.297 1.617 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)Sc1ccc(Br)cc1 ZINC000418935556 531865923 /nfs/dbraw/zinc/86/59/23/531865923.db2.gz LFFMGFIWOIWGPN-JQWIXIFHSA-N 1 0 386.315 1.606 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000642979568 531866491 /nfs/dbraw/zinc/86/64/91/531866491.db2.gz BJCRDFSOSMTXFG-LLVKDONJSA-N 1 0 398.276 1.731 20 0 GDADRO OCCCN1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000563958327 531867061 /nfs/dbraw/zinc/86/70/61/531867061.db2.gz QGUNMIFFHSQQBT-CVEARBPZSA-N 1 0 387.318 1.625 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643069523 531868134 /nfs/dbraw/zinc/86/81/34/531868134.db2.gz UXROAAXDZCOYJW-RHSMWYFYSA-N 1 0 396.329 1.970 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418944258 531868893 /nfs/dbraw/zinc/86/88/93/531868893.db2.gz IDWJMCYPOMEDIY-UHFFFAOYSA-N 1 0 396.285 1.370 20 0 GDADRO CN1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)[C@H](C[NH3+])C1 ZINC000563595095 531856750 /nfs/dbraw/zinc/85/67/50/531856750.db2.gz QHGAEINANOUYTL-UONOGXRCSA-N 1 0 386.327 1.856 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367716248 531856799 /nfs/dbraw/zinc/85/67/99/531856799.db2.gz AOYJFCIHOYSFLO-GJZGRUSLSA-N 1 0 385.555 1.749 20 0 GDADRO CN(CC(=O)NC[C@H](c1ccsc1)[NH+](C)C)S(=O)(=O)c1cccnc1 ZINC000642295636 531856870 /nfs/dbraw/zinc/85/68/70/531856870.db2.gz YRWZNXZKPUFKQB-OAHLLOKOSA-N 1 0 382.511 1.183 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000418864695 531857816 /nfs/dbraw/zinc/85/78/16/531857816.db2.gz KSLBQNRWHQWCLH-BXUZGUMPSA-N 1 0 384.274 1.203 20 0 GDADRO CC[NH+](CC)CCN(C(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000624807912 531859089 /nfs/dbraw/zinc/85/90/89/531859089.db2.gz GSSXMCTULKCIBV-XHSDSOJGSA-N 1 0 375.535 1.047 20 0 GDADRO O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642408100 531860559 /nfs/dbraw/zinc/86/05/59/531860559.db2.gz WCSJEIIGDGJREH-GXFFZTMASA-N 1 0 378.885 1.776 20 0 GDADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642700499 531861130 /nfs/dbraw/zinc/86/11/30/531861130.db2.gz QQVQDOPBTFEXNO-DGCLKSJQSA-N 1 0 398.326 1.970 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642712829 531861710 /nfs/dbraw/zinc/86/17/10/531861710.db2.gz SNMDZSKCXGADQO-BBRMVZONSA-N 1 0 394.313 1.893 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642687302 531862199 /nfs/dbraw/zinc/86/21/99/531862199.db2.gz GFKMBGOPENHXOG-BXUZGUMPSA-N 1 0 396.285 1.284 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418894949 531862217 /nfs/dbraw/zinc/86/22/17/531862217.db2.gz SELFKYRXBILARH-AVGNSLFASA-N 1 0 386.279 1.460 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000642769528 531863681 /nfs/dbraw/zinc/86/36/81/531863681.db2.gz SNLZLYZPDQNUJD-MFKMUULPSA-N 1 0 388.299 1.502 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)Oc1ccccc1Br ZINC000642777830 531863711 /nfs/dbraw/zinc/86/37/11/531863711.db2.gz HEHWBCNNQHWBMY-LBPRGKRZSA-N 1 0 398.301 1.672 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418926614 531865303 /nfs/dbraw/zinc/86/53/03/531865303.db2.gz VFCWQNRQVMCDLQ-INIZCTEOSA-N 1 0 386.265 1.444 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000418930783 531865331 /nfs/dbraw/zinc/86/53/31/531865331.db2.gz DXQIKLHFXNAVRU-AWEZNQCLSA-N 1 0 380.286 1.547 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000418948954 531870452 /nfs/dbraw/zinc/87/04/52/531870452.db2.gz UJMCGMYSACJNOP-HZMBPMFUSA-N 1 0 388.295 1.881 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000418948827 531870498 /nfs/dbraw/zinc/87/04/98/531870498.db2.gz RAKWWROTCFMBKT-PWSUYJOCSA-N 1 0 386.265 1.790 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]([NH3+])CC)c1 ZINC000564966818 531870620 /nfs/dbraw/zinc/87/06/20/531870620.db2.gz NIIUCNRDVXPYKV-NSHDSACASA-N 1 0 379.276 1.641 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000418947413 531870700 /nfs/dbraw/zinc/87/07/00/531870700.db2.gz PLYHTIKVNDEHIG-NSHDSACASA-N 1 0 386.265 1.792 20 0 GDADRO O=C(c1cccc(Cl)c1)N1CCC[C@H](S(=O)(=O)N2CCC[NH2+]CC2)C1 ZINC000564958273 531871679 /nfs/dbraw/zinc/87/16/79/531871679.db2.gz XLJASUYSIPGGFP-INIZCTEOSA-N 1 0 385.917 1.570 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000595245064 531871698 /nfs/dbraw/zinc/87/16/98/531871698.db2.gz OUTKQWYGNKUJJJ-ZETCQYMHSA-N 1 0 390.209 1.037 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)[C@@H]1C[NH3+] ZINC000418954715 531872543 /nfs/dbraw/zinc/87/25/43/531872543.db2.gz XLMPQBSCFUZKQB-IINYFYTJSA-N 1 0 386.265 1.790 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419030152 531884609 /nfs/dbraw/zinc/88/46/09/531884609.db2.gz ZTRMXORGEUOUHA-CQSZACIVSA-N 1 0 394.269 1.425 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000625008559 531874980 /nfs/dbraw/zinc/87/49/80/531874980.db2.gz OGDIXVSLAKWLPB-CYBMUJFWSA-N 1 0 375.441 1.832 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)Oc1cccc(Br)c1 ZINC000673247825 531875565 /nfs/dbraw/zinc/87/55/65/531875565.db2.gz XTZSJIAFWRCONB-OCCSQVGLSA-N 1 0 398.301 1.543 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418978307 531876108 /nfs/dbraw/zinc/87/61/08/531876108.db2.gz VZQVEEHFECPJSS-ZJUUUORDSA-N 1 0 394.273 1.137 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000566092507 531878695 /nfs/dbraw/zinc/87/86/95/531878695.db2.gz FOBOXMCHFKLSIK-OCCSQVGLSA-N 1 0 388.331 1.161 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000419008584 531879110 /nfs/dbraw/zinc/87/91/10/531879110.db2.gz LRJZIJWYXKCSKA-RTXFEEFZSA-N 1 0 396.285 1.313 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419035972 531884458 /nfs/dbraw/zinc/88/44/58/531884458.db2.gz FVYVLXYZUFAEIK-GWCFXTLKSA-N 1 0 384.274 1.361 20 0 GDADRO C[C@H](C[NH2+]CCCNC(=O)c1cccc(Br)c1)S(C)(=O)=O ZINC000566108971 531880589 /nfs/dbraw/zinc/88/05/89/531880589.db2.gz HSGIGMMHDDFEDF-LLVKDONJSA-N 1 0 377.304 1.592 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)Nc1cccc(Br)c1 ZINC000298371381 531881816 /nfs/dbraw/zinc/88/18/16/531881816.db2.gz CXHPCVHBOXHKQU-MRXNPFEDSA-N 1 0 395.257 1.452 20 0 GDADRO CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1)C1CCOCC1 ZINC000645753336 531882345 /nfs/dbraw/zinc/88/23/45/531882345.db2.gz BGYKXQGJHIFJCR-KRWDZBQOSA-N 1 0 390.571 1.883 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419023701 531882825 /nfs/dbraw/zinc/88/28/25/531882825.db2.gz PALHBZACNCNKTR-ZDUSSCGKSA-N 1 0 384.274 1.505 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419025453 531882974 /nfs/dbraw/zinc/88/29/74/531882974.db2.gz SJNXJISQGWVHJC-CHWSQXEVSA-N 1 0 382.302 1.707 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C[C@@H]1[NH+](C)C ZINC000270513920 531883235 /nfs/dbraw/zinc/88/32/35/531883235.db2.gz RIOSHMAPVRXESW-JKSUJKDBSA-N 1 0 383.539 1.245 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000368005681 531883456 /nfs/dbraw/zinc/88/34/56/531883456.db2.gz KDSMMILWIPQKCL-DGCLKSJQSA-N 1 0 384.274 1.425 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000673774134 531883693 /nfs/dbraw/zinc/88/36/93/531883693.db2.gz RXCOSDQRLYADOH-AWEZNQCLSA-N 1 0 390.937 1.570 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000673748796 531883727 /nfs/dbraw/zinc/88/37/27/531883727.db2.gz GNKONXHHSPVDGT-HOTGVXAUSA-N 1 0 387.933 1.873 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000419033486 531884060 /nfs/dbraw/zinc/88/40/60/531884060.db2.gz CNBVFBAZNYCDSR-CHWSQXEVSA-N 1 0 382.258 1.242 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000643394452 531869705 /nfs/dbraw/zinc/86/97/05/531869705.db2.gz KVDWUJBATUCWCD-INIZCTEOSA-N 1 0 394.313 1.708 20 0 GDADRO COC(=O)c1ccc(Cl)c(CN2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000368089178 531891449 /nfs/dbraw/zinc/89/14/49/531891449.db2.gz JYVYAQLLZNKPSL-UHFFFAOYSA-N 1 0 389.905 1.441 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419050012 531891506 /nfs/dbraw/zinc/89/15/06/531891506.db2.gz CODXVRBWJRAJAA-SNVBAGLBSA-N 1 0 386.265 1.633 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419050571 531891610 /nfs/dbraw/zinc/89/16/10/531891610.db2.gz DQJCDARGOXUEPL-CMPLNLGQSA-N 1 0 386.265 1.443 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000419051467 531892738 /nfs/dbraw/zinc/89/27/38/531892738.db2.gz FSOUWGRRCMWVTM-RNCFNFMXSA-N 1 0 387.267 1.021 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419054668 531893370 /nfs/dbraw/zinc/89/33/70/531893370.db2.gz MMNOAHZCJDSTIT-YUELXQCFSA-N 1 0 394.313 1.564 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)Cc2ccccc2Br)C1 ZINC000419053630 531893522 /nfs/dbraw/zinc/89/35/22/531893522.db2.gz KHYHXTABUOCILJ-KBPBESRZSA-N 1 0 396.329 1.954 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000419053931 531894152 /nfs/dbraw/zinc/89/41/52/531894152.db2.gz KWGVZAKQZBUWBA-WDEREUQCSA-N 1 0 388.281 1.750 20 0 GDADRO O=C(Nc1nc2cc(I)ccc2[nH]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000595948444 531894971 /nfs/dbraw/zinc/89/49/71/531894971.db2.gz KHSANQUGFCCXSL-RTHLEPHNSA-N 1 0 398.204 1.342 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1sc2c(c1I)CNC2 ZINC000595950372 531895031 /nfs/dbraw/zinc/89/50/31/531895031.db2.gz KZQULNJFHXUFRR-IONNQARKSA-N 1 0 391.278 1.684 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419058962 531895514 /nfs/dbraw/zinc/89/55/14/531895514.db2.gz XAMUJVQKKYDFRP-AGIUHOORSA-N 1 0 382.302 1.692 20 0 GDADRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000595963796 531899625 /nfs/dbraw/zinc/89/96/25/531899625.db2.gz UZDIZLHUBLHSBL-PTRXPTGYSA-N 1 0 376.297 1.728 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419061370 531895994 /nfs/dbraw/zinc/89/59/94/531895994.db2.gz DIGOQEUQHQGYBJ-SECBINFHSA-N 1 0 376.682 1.833 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000674361545 531896355 /nfs/dbraw/zinc/89/63/55/531896355.db2.gz OOOKUVJCQJQNBL-CQSZACIVSA-N 1 0 387.933 1.999 20 0 GDADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647709654 531896479 /nfs/dbraw/zinc/89/64/79/531896479.db2.gz ZWAIKXIBJHRNGE-RYUDHWBXSA-N 1 0 383.242 1.459 20 0 GDADRO C[NH+]1CCC2(CCN(C(=O)c3nc4ncc(Br)cn4n3)C2)CC1 ZINC000647725018 531896764 /nfs/dbraw/zinc/89/67/64/531896764.db2.gz ISDAFHWQBJTSJW-UHFFFAOYSA-N 1 0 379.262 1.445 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419078525 531897983 /nfs/dbraw/zinc/89/79/83/531897983.db2.gz ZBDORSSWIVNAAX-RNCFNFMXSA-N 1 0 388.693 1.833 20 0 GDADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368171497 531898873 /nfs/dbraw/zinc/89/88/73/531898873.db2.gz RGBJKFLKDFCQOR-NEPJUHHUSA-N 1 0 387.299 1.614 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000419036928 531885738 /nfs/dbraw/zinc/88/57/38/531885738.db2.gz CBWBOMLRIJTEEK-SKDRFNHKSA-N 1 0 375.803 1.801 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C[C@H]1[NH3+] ZINC000419039069 531885966 /nfs/dbraw/zinc/88/59/66/531885966.db2.gz KJBJCFIOBULLQB-OASPWFOLSA-N 1 0 382.258 1.195 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419036425 531886320 /nfs/dbraw/zinc/88/63/20/531886320.db2.gz GVQJAQDWIPWIRN-IINYFYTJSA-N 1 0 386.265 1.933 20 0 GDADRO C[NH+](C)C1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000595479287 531886482 /nfs/dbraw/zinc/88/64/82/531886482.db2.gz PWFNWVCYNLTTQY-UHFFFAOYSA-N 1 0 389.315 1.775 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419039665 531886880 /nfs/dbraw/zinc/88/68/80/531886880.db2.gz LHKSGACEXRSQMG-UHFFFAOYSA-N 1 0 382.675 1.820 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000419041785 531887251 /nfs/dbraw/zinc/88/72/51/531887251.db2.gz KLPGFHLRTLAJQB-IVZWLZJFSA-N 1 0 378.420 1.973 20 0 GDADRO Cc1c(Br)ccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1F ZINC000566504457 531889590 /nfs/dbraw/zinc/88/95/90/531889590.db2.gz JFHAXYCGRCCVPT-MWLCHTKSSA-N 1 0 385.237 1.672 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OC)c(I)n2)C1 ZINC000270541605 531889705 /nfs/dbraw/zinc/88/97/05/531889705.db2.gz XITHYSNVPPVFHN-JTQLQIEISA-N 1 0 389.237 1.766 20 0 GDADRO 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1.850 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000568500447 531909780 /nfs/dbraw/zinc/90/97/80/531909780.db2.gz KNKKTMOAHNFZIN-DCAQKATOSA-N 1 0 394.269 1.629 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000675819015 531911819 /nfs/dbraw/zinc/91/18/19/531911819.db2.gz JPGVXGXXQZVNTF-CYBMUJFWSA-N 1 0 379.448 1.933 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCCc2ccccc2Br)CC1 ZINC000419204089 531913457 /nfs/dbraw/zinc/91/34/57/531913457.db2.gz IRDDMTFPYCZZMA-UHFFFAOYSA-N 1 0 382.302 1.566 20 0 GDADRO C[S@](=O)C1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000567606056 531899819 /nfs/dbraw/zinc/89/98/19/531899819.db2.gz SLAJDIMIDMTZNH-QKVFXAPYSA-N 1 0 380.279 1.829 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000595968139 531900785 /nfs/dbraw/zinc/90/07/85/531900785.db2.gz FXMYBKGYADIONA-KGLIPLIRSA-N 1 0 385.258 1.630 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000595968138 531900800 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CC1(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C[NH2+]C1 ZINC000647905901 531903835 /nfs/dbraw/zinc/90/38/35/531903835.db2.gz LLZMOVPVTZOLFJ-UHFFFAOYSA-N 1 0 387.889 1.442 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000568763635 531917372 /nfs/dbraw/zinc/91/73/72/531917372.db2.gz XSIVIXFGVSETKC-NWDGAFQWSA-N 1 0 389.315 1.809 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000419255777 531918142 /nfs/dbraw/zinc/91/81/42/531918142.db2.gz WSJAOEKLDZNMDM-JQWIXIFHSA-N 1 0 384.299 1.662 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419263536 531920005 /nfs/dbraw/zinc/92/00/05/531920005.db2.gz VVMQKOZSVWTHNX-IUODEOHRSA-N 1 0 398.301 1.672 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(I)cc1F)C1CC1 ZINC000569357038 531920676 /nfs/dbraw/zinc/92/06/76/531920676.db2.gz TWSPAFHWAUZRHC-SNVBAGLBSA-N 1 0 391.184 1.222 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CC1 ZINC000679044673 531920772 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GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419306259 531922523 /nfs/dbraw/zinc/92/25/23/531922523.db2.gz YAHBVJMABDGJNK-TZMCWYRMSA-N 1 0 382.302 1.939 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419305800 531922835 /nfs/dbraw/zinc/92/28/35/531922835.db2.gz XHABKBKECOXXPE-STQMWFEESA-N 1 0 382.302 1.878 20 0 GDADRO O=C(NCc1sccc1Br)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419303491 531922860 /nfs/dbraw/zinc/92/28/60/531922860.db2.gz SBWPBJSYKAOAMN-OUAUKWLOSA-N 1 0 386.315 1.631 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3nc(C(F)(F)F)cs3)C[C@H]21 ZINC000419300684 531923413 /nfs/dbraw/zinc/92/34/13/531923413.db2.gz JRTDEXINBDGIQR-OPRDCNLKSA-N 1 0 376.404 1.364 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2c(C)cc(Br)cc2C)C1 ZINC000419301859 531923462 /nfs/dbraw/zinc/92/34/62/531923462.db2.gz OQWLJCRWUINSMD-CYBMUJFWSA-N 1 0 382.302 1.750 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2sccc2Br)[C@H](C[NH3+])C1 ZINC000419301838 531923467 /nfs/dbraw/zinc/92/34/67/531923467.db2.gz OMYUILIJLGGKKX-UWVGGRQHSA-N 1 0 390.303 1.092 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419348262 531926247 /nfs/dbraw/zinc/92/62/47/531926247.db2.gz AUIXYYBUWSLZRK-MFKMUULPSA-N 1 0 384.274 1.318 20 0 GDADRO O=C(C[C@H]1CC[NH2+]C1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000649378619 531926638 /nfs/dbraw/zinc/92/66/38/531926638.db2.gz OQFQHRQBGIYCHH-CYBMUJFWSA-N 1 0 382.302 1.902 20 0 GDADRO NS(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000625867124 531916917 /nfs/dbraw/zinc/91/69/17/531916917.db2.gz AUNLAMZRCPPUDJ-BXKDBHETSA-N 1 0 380.392 1.325 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000284106987 531930650 /nfs/dbraw/zinc/93/06/50/531930650.db2.gz QNDJCUXRUIBSLD-OAHLLOKOSA-N 1 0 382.302 1.660 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncsc1C(F)(F)F ZINC000569838151 531931210 /nfs/dbraw/zinc/93/12/10/531931210.db2.gz DZWNWLAYOONGBF-SSDOTTSWSA-N 1 0 376.326 1.728 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000419407403 531931673 /nfs/dbraw/zinc/93/16/73/531931673.db2.gz WKWWYROIKICGBU-UWVGGRQHSA-N 1 0 375.256 1.079 20 0 GDADRO CN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C1CC[NH+](C)CC1 ZINC000368753403 531932700 /nfs/dbraw/zinc/93/27/00/531932700.db2.gz WLGNMIOKMPWHPP-OAHLLOKOSA-N 1 0 385.555 1.844 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000270898910 531939655 /nfs/dbraw/zinc/93/96/55/531939655.db2.gz QQIBOJVAASYSHS-CYBMUJFWSA-N 1 0 384.274 1.997 20 0 GDADRO Cn1cc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c(=O)n(C)c1=O ZINC000284143316 531934008 /nfs/dbraw/zinc/93/40/08/531934008.db2.gz VFLWADVHPDUBMZ-CQSZACIVSA-N 1 0 379.258 1.482 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419481177 531934683 /nfs/dbraw/zinc/93/46/83/531934683.db2.gz QZPYFOQLFSMSID-SNVBAGLBSA-N 1 0 386.265 1.633 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419479923 531935107 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CC(C)(CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000419809719 531972840 /nfs/dbraw/zinc/97/28/40/531972840.db2.gz HKSIWESRVGQMGV-CQSZACIVSA-N 1 0 382.302 1.711 20 0 GDADRO CCOc1cc(C[NH2+]CCCO)cc(Br)c1OCC(=O)N(C)C ZINC000299275122 531974047 /nfs/dbraw/zinc/97/40/47/531974047.db2.gz YHLNUIJVJZODGS-UHFFFAOYSA-N 1 0 389.290 1.787 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000419814501 531974334 /nfs/dbraw/zinc/97/43/34/531974334.db2.gz JGYZEVJVTGHRQU-JSGCOSHPSA-N 1 0 382.302 1.564 20 0 GDADRO C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)NCCCC[NH3+] ZINC000419835581 531974938 /nfs/dbraw/zinc/97/49/38/531974938.db2.gz WCUQQGMSNAMFGL-WFASDCNBSA-N 1 0 398.301 1.593 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000271178864 531976138 /nfs/dbraw/zinc/97/61/38/531976138.db2.gz BSQSDZJDPICHGU-UHFFFAOYSA-N 1 0 377.304 1.923 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc([S@](C)=O)cc1 ZINC000573133303 531976296 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[NH3+][C@@H]1CCN(C(=O)C(=O)N2CC=C(c3cccc(Br)c3)CC2)C1 ZINC000332146654 532166954 /nfs/dbraw/zinc/16/69/54/532166954.db2.gz OZAARAPXUIDVBV-OAHLLOKOSA-N 1 0 378.270 1.624 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NCc1ncc(I)s1 ZINC000286651477 532167186 /nfs/dbraw/zinc/16/71/86/532167186.db2.gz UFCRSBWVFNWGRH-JTQLQIEISA-N 1 0 380.299 1.473 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000332158755 532167392 /nfs/dbraw/zinc/16/73/92/532167392.db2.gz NFXRFGAHNMRGGF-MNOVXSKESA-N 1 0 398.276 1.669 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC[C@@H]1[NH3+] ZINC000332168762 532167549 /nfs/dbraw/zinc/16/75/49/532167549.db2.gz RKVGXRNFXMYSHC-DDTOSNHZSA-N 1 0 396.285 1.585 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+]3CCC2CC3)ccc1Cl ZINC000375509422 532168005 /nfs/dbraw/zinc/16/80/05/532168005.db2.gz KVVDUQAZTLOTHT-UHFFFAOYSA-N 1 0 387.889 1.442 20 0 GDADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1[NH3+] ZINC000332175198 532168329 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532181560 /nfs/dbraw/zinc/18/15/60/532181560.db2.gz FUMKPNOZDCHCKH-GRYCIOLGSA-N 1 0 382.452 1.275 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)s1 ZINC000286720613 532171176 /nfs/dbraw/zinc/17/11/76/532171176.db2.gz NIJXVJALSSBKHB-RYUDHWBXSA-N 1 0 388.511 1.791 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)c(F)cc1Br ZINC000332213086 532171317 /nfs/dbraw/zinc/17/13/17/532171317.db2.gz HJKHZARKMUIDOP-SNVBAGLBSA-N 1 0 381.267 1.635 20 0 GDADRO CC[N@H+](CCNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)CCC(F)(F)F ZINC000427200866 532177517 /nfs/dbraw/zinc/17/75/17/532177517.db2.gz SYDDTZINPLITLL-ZJUUUORDSA-N 1 0 377.329 1.834 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375967170 532191348 /nfs/dbraw/zinc/19/13/48/532191348.db2.gz GPLPZCYHGYYVKV-HUUCEWRRSA-N 1 0 380.286 1.922 20 0 GDADRO CC1(C)CN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC[NH2+]1 ZINC000332518523 532191788 /nfs/dbraw/zinc/19/17/88/532191788.db2.gz BIJQTSMLAQMJJA-UHFFFAOYSA-N 1 0 398.305 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ZINC000274404803 532207875 /nfs/dbraw/zinc/20/78/75/532207875.db2.gz HNGKPDXZJXSMKZ-GFCCVEGCSA-N 1 0 383.495 1.415 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000287343018 532209943 /nfs/dbraw/zinc/20/99/43/532209943.db2.gz XRUYJPFADLFQKJ-ZIAGYGMSSA-N 1 0 399.333 1.735 20 0 GDADRO C[N@H+](CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000376362816 532210548 /nfs/dbraw/zinc/21/05/48/532210548.db2.gz DDPCBQXQDTVRGT-CYBMUJFWSA-N 1 0 386.543 1.295 20 0 GDADRO COc1ccc(Br)cc1C[NH2+]CCNS(=O)(=O)NC(C)C ZINC000428557400 532211018 /nfs/dbraw/zinc/21/10/18/532211018.db2.gz JDRZKOHLQMVZJG-UHFFFAOYSA-N 1 0 380.308 1.380 20 0 GDADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000376405298 532212772 /nfs/dbraw/zinc/21/27/72/532212772.db2.gz DFKQPHXUVUBQSI-VXGBXAGGSA-N 1 0 391.946 1.765 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc(F)ccc1I ZINC000274492848 532213937 /nfs/dbraw/zinc/21/39/37/532213937.db2.gz CIXPRXRWDIHJAV-UHFFFAOYSA-N 1 0 380.201 1.474 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cncc(Br)c1 ZINC000274547577 532217166 /nfs/dbraw/zinc/21/71/66/532217166.db2.gz GMAQCJVIIHOJMS-LBPRGKRZSA-N 1 0 391.335 1.148 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000274312051 532202175 /nfs/dbraw/zinc/20/21/75/532202175.db2.gz FYFOAABZRFZEOJ-OAHLLOKOSA-N 1 0 394.317 1.975 20 0 GDADRO COC(=O)c1ccccc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000274716021 532227489 /nfs/dbraw/zinc/22/74/89/532227489.db2.gz BRPUTPZCJBYESZ-LSDHHAIUSA-N 1 0 384.523 1.674 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)C1 ZINC000429443454 532228210 /nfs/dbraw/zinc/22/82/10/532228210.db2.gz GZXZZGYZDBXSSD-DZGCQCFKSA-N 1 0 376.316 1.767 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000429460415 532228237 /nfs/dbraw/zinc/22/82/37/532228237.db2.gz YKVUYPOTFSKJKA-LBPRGKRZSA-N 1 0 376.910 1.479 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000333284086 532228279 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1.967 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000429722443 532233037 /nfs/dbraw/zinc/23/30/37/532233037.db2.gz YUBQALZLAUWKIZ-CHWSQXEVSA-N 1 0 389.905 1.737 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)NCc1ccccc1Cl ZINC000429718029 532233042 /nfs/dbraw/zinc/23/30/42/532233042.db2.gz MNKZTSGHWNBSPE-VBNZEHGJSA-N 1 0 387.933 1.795 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000429713522 532233076 /nfs/dbraw/zinc/23/30/76/532233076.db2.gz DLGKZOXEWKUEEF-KBMXLJTQSA-N 1 0 390.933 1.838 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CCO1 ZINC000274781875 532233817 /nfs/dbraw/zinc/23/38/17/532233817.db2.gz LLRUZTUZRAZWDT-CZUORRHYSA-N 1 0 388.295 1.553 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000429010651 532220688 /nfs/dbraw/zinc/22/06/88/532220688.db2.gz QNRCPIGWMYCYHC-ZDUSSCGKSA-N 1 0 396.278 1.151 20 0 GDADRO C[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCC[NH2+]C1 ZINC000428998551 532220998 /nfs/dbraw/zinc/22/09/98/532220998.db2.gz RNYYBNVXKSAMNO-QWRGUYRKSA-N 1 0 394.269 1.549 20 0 GDADRO Cc1cc(NC(=O)CC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)no1 ZINC000429012296 532221234 /nfs/dbraw/zinc/22/12/34/532221234.db2.gz TYDMLGUQWUOIPZ-ZDUSSCGKSA-N 1 0 386.221 2.536 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000429037003 532221543 /nfs/dbraw/zinc/22/15/43/532221543.db2.gz SHBFWZNEYYBKRU-HZMBPMFUSA-N 1 0 395.294 1.493 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429022966 532221747 /nfs/dbraw/zinc/22/17/47/532221747.db2.gz UGBMOFUJQBCIFZ-CYBMUJFWSA-N 1 0 383.283 1.541 20 0 GDADRO C[C@@H](NC(=O)CCC(=O)NCC[C@H](C)[NH3+])C(=O)c1ccc(Br)cc1 ZINC000429018619 532221928 /nfs/dbraw/zinc/22/19/28/532221928.db2.gz JEJXXLKIFQDGMW-NWDGAFQWSA-N 1 0 398.301 1.770 20 0 GDADRO O=C(COc1cccc(I)c1)NCCNc1cc[nH+]cc1 ZINC000429115753 532223716 /nfs/dbraw/zinc/22/37/16/532223716.db2.gz OYJDREHSXWFSOZ-UHFFFAOYSA-N 1 0 397.216 1.715 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CC[C@@H]1[NH3+] ZINC000429137671 532224008 /nfs/dbraw/zinc/22/40/08/532224008.db2.gz BUTIHPIDUVVOFT-KCJUWKMLSA-N 1 0 393.278 1.801 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)s1 ZINC000376682963 532224468 /nfs/dbraw/zinc/22/44/68/532224468.db2.gz WVJALQIQHPGDJE-QLFBSQMISA-N 1 0 383.539 1.420 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000429274947 532225599 /nfs/dbraw/zinc/22/55/99/532225599.db2.gz AYGXWJFOLPVGDA-TZMCWYRMSA-N 1 0 387.527 1.016 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cccc3c2OCCO3)C[C@H]1[NH+]1CCCC1 ZINC000333239442 532226068 /nfs/dbraw/zinc/22/60/68/532226068.db2.gz WALXIZPNQFNCLY-HIFRSBDPSA-N 1 0 384.523 1.658 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429328670 532226350 /nfs/dbraw/zinc/22/63/50/532226350.db2.gz DTPANROPVIUQPT-UHFFFAOYSA-N 1 0 385.898 1.964 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)[C@@H]1c1cccs1 ZINC000333242649 532226714 /nfs/dbraw/zinc/22/67/14/532226714.db2.gz WOUBCGNLPMXXRB-UMVBOHGHSA-N 1 0 386.543 1.203 20 0 GDADRO CC[NH+]1CCN(CC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000430119709 532242111 /nfs/dbraw/zinc/24/21/11/532242111.db2.gz IOKZZRDEBPNUKJ-MRXNPFEDSA-N 1 0 398.345 1.354 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000333679399 532244792 /nfs/dbraw/zinc/24/47/92/532244792.db2.gz ONUNCEJSEGGXJO-DGCLKSJQSA-N 1 0 396.289 1.566 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000333679397 532244872 /nfs/dbraw/zinc/24/48/72/532244872.db2.gz ONUNCEJSEGGXJO-AAEUAGOBSA-N 1 0 396.289 1.566 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000430320899 532246573 /nfs/dbraw/zinc/24/65/73/532246573.db2.gz YHYOXRVRNHSSBP-UHFFFAOYSA-N 1 0 388.251 1.931 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000333790907 532250219 /nfs/dbraw/zinc/25/02/19/532250219.db2.gz GFJQUFARTIFLFU-ZDUSSCGKSA-N 1 0 382.258 1.898 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000287924963 532251464 /nfs/dbraw/zinc/25/14/64/532251464.db2.gz WDMOMLQADQSSCH-UONOGXRCSA-N 1 0 386.543 1.295 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000333852196 532252051 /nfs/dbraw/zinc/25/20/51/532252051.db2.gz QFILYXBBMNEMCM-JYAVWHMHSA-N 1 0 383.279 1.679 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000333847479 532252168 /nfs/dbraw/zinc/25/21/68/532252168.db2.gz WMWYKIXYNNMHBM-RNCFNFMXSA-N 1 0 388.237 1.699 20 0 GDADRO CC(C)[C@@](C)(C[NH3+])NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000430574979 532252310 /nfs/dbraw/zinc/25/23/10/532252310.db2.gz JMLNPQZXIYTROQ-MRXNPFEDSA-N 1 0 390.937 1.492 20 0 GDADRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@H](C)C[NH2+]1 ZINC000333855955 532252423 /nfs/dbraw/zinc/25/24/23/532252423.db2.gz YGQKMLUEZVUWSW-MGPQQGTHSA-N 1 0 386.543 1.293 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000333862845 532253024 /nfs/dbraw/zinc/25/30/24/532253024.db2.gz SKGRVOOROFLRPA-UGFHNGPFSA-N 1 0 395.301 1.630 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000430630604 532253111 /nfs/dbraw/zinc/25/31/11/532253111.db2.gz SMOPNZDUPZTOHF-AWEZNQCLSA-N 1 0 384.318 1.957 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)Cc1cc(Br)ccc1OC(F)F ZINC000430638673 532253472 /nfs/dbraw/zinc/25/34/72/532253472.db2.gz CYAHSMLKFVRPEN-UHFFFAOYSA-N 1 0 392.244 1.914 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1Br)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000430624053 532253519 /nfs/dbraw/zinc/25/35/19/532253519.db2.gz HVXATUNQHNITTB-LBPRGKRZSA-N 1 0 383.290 1.140 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CCO1 ZINC000274840982 532237138 /nfs/dbraw/zinc/23/71/38/532237138.db2.gz WSCWMUJPNZCIHA-OAHLLOKOSA-N 1 0 383.286 1.683 20 0 GDADRO CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCC[C@@H](C[NH3+])C2)ccc1Cl ZINC000430639721 532254395 /nfs/dbraw/zinc/25/43/95/532254395.db2.gz ITYNHWICJLBBJR-LBPRGKRZSA-N 1 0 388.921 1.200 20 0 GDADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333897370 532254574 /nfs/dbraw/zinc/25/45/74/532254574.db2.gz AZVPYTLSFGJZPH-OLZOCXBDSA-N 1 0 396.285 1.971 20 0 GDADRO CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430723907 532255775 /nfs/dbraw/zinc/25/57/75/532255775.db2.gz PUWKIGLDANYQFA-ONGXEEELSA-N 1 0 381.292 1.145 20 0 GDADRO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430750559 532256373 /nfs/dbraw/zinc/25/63/73/532256373.db2.gz BSGGRXPWSOPLQF-JTQLQIEISA-N 1 0 377.304 1.910 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000288010502 532257753 /nfs/dbraw/zinc/25/77/53/532257753.db2.gz GWRKBPNUWARJEH-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO C[C@@H]1CN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@@H](C)[NH2+]1 ZINC000430945289 532258804 /nfs/dbraw/zinc/25/88/04/532258804.db2.gz PXVQYUVDXGCWLQ-CHWSQXEVSA-N 1 0 386.327 1.719 20 0 GDADRO CC[N@@H+]1CC[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)C1 ZINC000334126938 532264061 /nfs/dbraw/zinc/26/40/61/532264061.db2.gz QDXDFJZLUOGALN-HUUCEWRRSA-N 1 0 395.301 1.726 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)CCC2CCOCC2)[C@@H](C)C1 ZINC000431536295 532267376 /nfs/dbraw/zinc/26/73/76/532267376.db2.gz KDHIOXLJZVVSAE-FUHWJXTLSA-N 1 0 376.563 1.860 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)ccc1Br ZINC000288154352 532268376 /nfs/dbraw/zinc/26/83/76/532268376.db2.gz MLJNNCWWOBEDKG-VIFPVBQESA-N 1 0 386.246 1.241 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000378220932 532283686 /nfs/dbraw/zinc/28/36/86/532283686.db2.gz CZMCKLZUZAFXFH-RHSMWYFYSA-N 1 0 386.539 1.633 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccc(Br)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378438498 532287045 /nfs/dbraw/zinc/28/70/45/532287045.db2.gz JKFPTVTUJFJTCW-UKRRQHHQSA-N 1 0 381.318 1.942 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)[C@H]2C1 ZINC000378500843 532288948 /nfs/dbraw/zinc/28/89/48/532288948.db2.gz RYABJJGRSUBASI-MNOVXSKESA-N 1 0 377.919 1.232 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000288419489 532289326 /nfs/dbraw/zinc/28/93/26/532289326.db2.gz ZVTWQZPWUCCXRO-UHFFFAOYSA-N 1 0 380.436 1.669 20 0 GDADRO O=S(=O)(Cc1cccc(Br)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000288216517 532272742 /nfs/dbraw/zinc/27/27/42/532272742.db2.gz RCLCMMKRZYBTIP-OAHLLOKOSA-N 1 0 391.331 1.715 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)NCCn2cc(Br)cn2)CCCO1 ZINC000288537081 532295562 /nfs/dbraw/zinc/29/55/62/532295562.db2.gz PZNWPVLSGGNBMW-ZDUSSCGKSA-N 1 0 388.310 1.446 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N(C)CC[NH+](C)C)ccc1Br ZINC000275457302 532296364 /nfs/dbraw/zinc/29/63/64/532296364.db2.gz ULCDRTOFMDUASQ-UHFFFAOYSA-N 1 0 386.246 1.194 20 0 GDADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Br)c1 ZINC000389833975 532296916 /nfs/dbraw/zinc/29/69/16/532296916.db2.gz WNVVISMQCYYXCA-SECBINFHSA-N 1 0 383.695 1.759 20 0 GDADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000393688577 532300783 /nfs/dbraw/zinc/30/07/83/532300783.db2.gz GBPXNILZGQMCKG-LBPRGKRZSA-N 1 0 378.288 1.356 20 0 GDADRO O=C(NC[C@H]1CCCN(C(=O)c2ccncc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000395917086 532301654 /nfs/dbraw/zinc/30/16/54/532301654.db2.gz BJJZZYIRZKTSCZ-DOMZBBRYSA-N 1 0 395.301 1.565 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1I ZINC000394791585 532301787 /nfs/dbraw/zinc/30/17/87/532301787.db2.gz JNSTVAQNPVTYMF-LBPRGKRZSA-N 1 0 385.249 1.411 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000400314940 532304801 /nfs/dbraw/zinc/30/48/01/532304801.db2.gz ZIDVGFYORLFJKL-QWHCGFSZSA-N 1 0 397.324 1.747 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+](CC)CC)cc1 ZINC000288747417 532305952 /nfs/dbraw/zinc/30/59/52/532305952.db2.gz DLIIMAUNYALRJN-UHFFFAOYSA-N 1 0 376.544 1.881 20 0 GDADRO O=c1cc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)nc2ccc(Br)cn12 ZINC000404697290 532306141 /nfs/dbraw/zinc/30/61/41/532306141.db2.gz URQJLAFICHEYPY-LLVKDONJSA-N 1 0 389.257 1.564 20 0 GDADRO O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1ccc(Br)cc1Cl ZINC000405389820 532307200 /nfs/dbraw/zinc/30/72/00/532307200.db2.gz GAIIDHOAIWJQES-NWDGAFQWSA-N 1 0 388.693 1.792 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCn2cc(Br)cn2)[C@@H](C)C1 ZINC000288841346 532309270 /nfs/dbraw/zinc/30/92/70/532309270.db2.gz NIJTZAVVXRUKLY-QWHCGFSZSA-N 1 0 388.310 1.132 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000275776873 532309634 /nfs/dbraw/zinc/30/96/34/532309634.db2.gz FCLXXQUUMMDVFH-NSHDSACASA-N 1 0 383.290 1.971 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000275944362 532315655 /nfs/dbraw/zinc/31/56/55/532315655.db2.gz XSQHAVANEKARDZ-LLVKDONJSA-N 1 0 383.290 1.971 20 0 GDADRO O=c1nc(C2CC[NH+](C[C@@H](O)c3ccc(F)c(Br)c3)CC2)[nH][nH]1 ZINC000289173215 532317321 /nfs/dbraw/zinc/31/73/21/532317321.db2.gz FLRSFPUDFAOOCP-CYBMUJFWSA-N 1 0 385.237 1.913 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000276127291 532320540 /nfs/dbraw/zinc/32/05/40/532320540.db2.gz ZVDRYKRXYPXGED-TZMCWYRMSA-N 1 0 388.511 1.148 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000276182701 532321982 /nfs/dbraw/zinc/32/19/82/532321982.db2.gz FPKGHOFQOMUKSY-OLZOCXBDSA-N 1 0 389.543 1.750 20 0 GDADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cn3ccc(Br)cc3n1)CC2 ZINC000289433326 532323934 /nfs/dbraw/zinc/32/39/34/532323934.db2.gz FCIMNUMAPZNUCI-LBPRGKRZSA-N 1 0 391.273 1.939 20 0 GDADRO NC(=O)[C@H]1CCCN1CCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289553279 532327847 /nfs/dbraw/zinc/32/78/47/532327847.db2.gz QJEXJWUCNYAPSV-CQSZACIVSA-N 1 0 380.290 1.526 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(Br)o1)C1=CC[N@H+](C)CC1 ZINC000289926620 532334158 /nfs/dbraw/zinc/33/41/58/532334158.db2.gz XSTXRXPJLBVRDI-LLVKDONJSA-N 1 0 384.274 1.767 20 0 GDADRO CC(C)(C)[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000289926750 532334174 /nfs/dbraw/zinc/33/41/74/532334174.db2.gz VUSGDNVNWBAICQ-UHFFFAOYSA-N 1 0 387.933 1.997 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000290018632 532335432 /nfs/dbraw/zinc/33/54/32/532335432.db2.gz SRRRHVZAYSSUDM-VIFPVBQESA-N 1 0 381.479 1.624 20 0 GDADRO COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000009917532 204328091 /nfs/dbraw/zinc/32/80/91/204328091.db2.gz MYAFCXXYPBNRDT-UHFFFAOYSA-N 1 0 377.466 1.334 20 0 GDADRO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000047905285 205111070 /nfs/dbraw/zinc/11/10/70/205111070.db2.gz YLEFVVDLDFPUCD-AWEZNQCLSA-N 1 0 379.526 1.897 20 0 GDADRO CCN(CCCNC(=O)NC[C@H](c1cccs1)[NH+](C)C)S(C)(=O)=O ZINC000057150347 205155575 /nfs/dbraw/zinc/15/55/75/205155575.db2.gz PBDPBIBPBCOYFI-CYBMUJFWSA-N 1 0 376.548 1.322 20 0 GDADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000190423823 570878554 /nfs/dbraw/zinc/87/85/54/570878554.db2.gz LALNKSRAUBVXQN-ROUUACIJSA-N 1 0 388.516 1.791 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736295743 598827238 /nfs/dbraw/zinc/82/72/38/598827238.db2.gz XIBLYGIXXZJWDW-JQWIXIFHSA-N 1 0 389.847 1.154 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736294993 598834451 /nfs/dbraw/zinc/83/44/51/598834451.db2.gz TYKADFOPWKFOER-DGCLKSJQSA-N 1 0 375.864 1.627 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000737522034 598851815 /nfs/dbraw/zinc/85/18/15/598851815.db2.gz FDJYJERYBMJIHV-QGZVFWFLSA-N 1 0 379.472 1.561 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000737523804 598853534 /nfs/dbraw/zinc/85/35/34/598853534.db2.gz JGGZQDVDJNLAJF-QGZVFWFLSA-N 1 0 390.455 1.752 20 0 GDADRO CC[C@@H]1CN([C@@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000736407392 598862008 /nfs/dbraw/zinc/86/20/08/598862008.db2.gz GPMGJIQFTXYXCE-IAGOWNOFSA-N 1 0 388.472 1.123 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000736858785 598875709 /nfs/dbraw/zinc/87/57/09/598875709.db2.gz BKMHFQCKQIKSOY-STQMWFEESA-N 1 0 396.904 1.767 20 0 GDADRO O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000738355286 598877846 /nfs/dbraw/zinc/87/78/46/598877846.db2.gz NHKVMZQJCRQIAG-LBPRGKRZSA-N 1 0 380.449 1.112 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000737296597 598954483 /nfs/dbraw/zinc/95/44/83/598954483.db2.gz MASRJAMSQUAFPK-OAHLLOKOSA-N 1 0 376.486 1.424 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000737296725 598955691 /nfs/dbraw/zinc/95/56/91/598955691.db2.gz NBHVFQUVVIZPRW-INIZCTEOSA-N 1 0 390.513 1.814 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](n2nc(C)nc2C)C1 ZINC000737032493 598985764 /nfs/dbraw/zinc/98/57/64/598985764.db2.gz LIORMYVHBAZEPJ-MRXNPFEDSA-N 1 0 398.471 1.800 20 0 GDADRO COC(=O)[C@@H]1CC12CC[NH+](CCOc1ccc(-c3nn[nH]n3)cc1OC)CC2 ZINC000736907683 598986957 /nfs/dbraw/zinc/98/69/57/598986957.db2.gz JFVZEPSBUBUIOY-AWEZNQCLSA-N 1 0 387.440 1.529 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000736988924 598990353 /nfs/dbraw/zinc/99/03/53/598990353.db2.gz XHYWHPQRPLIFHK-OLZOCXBDSA-N 1 0 389.504 1.990 20 0 GDADRO COc1cc(CNC(=O)c2ccc(-c3nn[nH]n3)nc2)ccc1OCC[NH+](C)C ZINC000737045610 599028638 /nfs/dbraw/zinc/02/86/38/599028638.db2.gz JBFVWYCXTRZTHD-UHFFFAOYSA-N 1 0 397.439 1.141 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736571426 599030646 /nfs/dbraw/zinc/03/06/46/599030646.db2.gz RFBXVBGURBSJKR-KRWDZBQOSA-N 1 0 392.467 1.783 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736571495 599043839 /nfs/dbraw/zinc/04/38/39/599043839.db2.gz RXBHRALXKMQLHN-NSHDSACASA-N 1 0 384.410 1.718 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(-c3nn[nH]n3)cc2OC)[C@@H](C)C1 ZINC000736565607 599080757 /nfs/dbraw/zinc/08/07/57/599080757.db2.gz MLLVLZCUYFNMPS-DZGCQCFKSA-N 1 0 388.472 1.443 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CC1 ZINC000820908885 599087051 /nfs/dbraw/zinc/08/70/51/599087051.db2.gz QVABEQDFRNHETN-ZDUSSCGKSA-N 1 0 387.875 1.961 20 0 GDADRO NC(=O)[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731405 599089463 /nfs/dbraw/zinc/08/94/63/599089463.db2.gz RNQWXGIVNROMCI-RTBURBONSA-N 1 0 391.479 1.820 20 0 GDADRO COc1ccccc1C1(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737145617 599096124 /nfs/dbraw/zinc/09/61/24/599096124.db2.gz DBRPHTLMXNOWRN-KRWDZBQOSA-N 1 0 378.436 1.723 20 0 GDADRO Cc1nc(SCC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737482256 599107340 /nfs/dbraw/zinc/10/73/40/599107340.db2.gz GKNYMUQBHNWOIR-HZMBPMFUSA-N 1 0 389.529 1.878 20 0 GDADRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736242875 599149787 /nfs/dbraw/zinc/14/97/87/599149787.db2.gz RUKGBETULKBSIL-UHFFFAOYSA-N 1 0 397.483 1.528 20 0 GDADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000823233711 599170036 /nfs/dbraw/zinc/17/00/36/599170036.db2.gz HRSFUODEKVASGS-MRXNPFEDSA-N 1 0 395.442 1.929 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000820715929 599217597 /nfs/dbraw/zinc/21/75/97/599217597.db2.gz FUMDGRBHJBIXHZ-HNNXBMFYSA-N 1 0 377.452 1.998 20 0 GDADRO CCOC(=O)C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C(C)(C)C ZINC000821330794 607260543 /nfs/dbraw/zinc/26/05/43/607260543.db2.gz SDKYYASEGNHFMD-UHFFFAOYSA-N 1 0 380.474 1.920 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1cccc3c1OCCCO3)C2 ZINC000823751652 607260954 /nfs/dbraw/zinc/26/09/54/607260954.db2.gz OLQDXVLQHKNSHJ-LBPRGKRZSA-N 1 0 382.428 1.056 20 0 GDADRO O=C([O-])C[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000819358224 597059373 /nfs/dbraw/zinc/05/93/73/597059373.db2.gz ZZCWJTRCHWVRLD-QGZVFWFLSA-N 1 0 389.500 1.490 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](CNc1ccc(CC[NH+]3CCCC3)cc1)C2 ZINC000823756774 607314562 /nfs/dbraw/zinc/31/45/62/607314562.db2.gz HOSPHQBTBLRXAQ-INIZCTEOSA-N 1 0 393.499 1.855 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1C ZINC000736458206 599283394 /nfs/dbraw/zinc/28/33/94/599283394.db2.gz XEPRFAICLCRCGK-MRXNPFEDSA-N 1 0 399.499 1.884 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820129326 607325299 /nfs/dbraw/zinc/32/52/99/607325299.db2.gz ZJIOHVUTNSXVQE-HXUWFJFHSA-N 1 0 399.543 1.391 20 0 GDADRO CCCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736412836 598257407 /nfs/dbraw/zinc/25/74/07/598257407.db2.gz QTCCPPHYLMECOL-AWEZNQCLSA-N 1 0 385.472 1.576 20 0 GDADRO CCCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736411584 598257470 /nfs/dbraw/zinc/25/74/70/598257470.db2.gz KTOBTZUBBNSQQT-LBPRGKRZSA-N 1 0 391.501 1.638 20 0 GDADRO C[C@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736236038 598284849 /nfs/dbraw/zinc/28/48/49/598284849.db2.gz FSAJCSWLWIOBQP-QLFBSQMISA-N 1 0 384.488 1.172 20 0 GDADRO CN1CCO[C@H](C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736869223 598285903 /nfs/dbraw/zinc/28/59/03/598285903.db2.gz ZKAJMUDMZKAKPP-HXUWFJFHSA-N 1 0 394.479 1.866 20 0 GDADRO C[C@@H]([N@H+](C)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)C(C)(C)C ZINC000736100070 598333670 /nfs/dbraw/zinc/33/36/70/598333670.db2.gz XPWOIIJVYJPVRN-CYBMUJFWSA-N 1 0 385.472 1.955 20 0 GDADRO CC(C)[N@H+](CC1CC1)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000735859085 598334187 /nfs/dbraw/zinc/33/41/87/598334187.db2.gz OJGKQBOIDPSDJJ-UHFFFAOYSA-N 1 0 383.456 1.709 20 0 GDADRO Cc1ccc(N2CCC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000737351178 598341175 /nfs/dbraw/zinc/34/11/75/598341175.db2.gz KJXMONDUROCNKJ-UHFFFAOYSA-N 1 0 380.456 1.556 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736131474 598347909 /nfs/dbraw/zinc/34/79/09/598347909.db2.gz KPVYMKYIWALGQP-MWLCHTKSSA-N 1 0 387.835 1.043 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000735560767 598351191 /nfs/dbraw/zinc/35/11/91/598351191.db2.gz GVFNUKASYXWKEL-UONOGXRCSA-N 1 0 381.444 1.197 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)CC1 ZINC000736981460 598408934 /nfs/dbraw/zinc/40/89/34/598408934.db2.gz LAJLBJLVHSCWKM-CQSZACIVSA-N 1 0 388.472 1.251 20 0 GDADRO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735586965 598428001 /nfs/dbraw/zinc/42/80/01/598428001.db2.gz OCABIABKXYLVDJ-INIZCTEOSA-N 1 0 399.499 1.822 20 0 GDADRO Cc1nnc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c(-c2nn[nH]n2)c1C ZINC000737531559 598457617 /nfs/dbraw/zinc/45/76/17/598457617.db2.gz CVGCUCVYAAMUBQ-UHFFFAOYSA-N 1 0 395.471 1.177 20 0 GDADRO O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000737793363 598465268 /nfs/dbraw/zinc/46/52/68/598465268.db2.gz XONOUZNKOHLVDT-RTBURBONSA-N 1 0 395.511 1.922 20 0 GDADRO c1nc2ccccn2c1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000738446395 598467125 /nfs/dbraw/zinc/46/71/25/598467125.db2.gz XJMGYMULAIJMEQ-UHFFFAOYSA-N 1 0 375.440 1.668 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000737032709 598497535 /nfs/dbraw/zinc/49/75/35/598497535.db2.gz KUHSCXAVFKOYTE-CQSZACIVSA-N 1 0 388.472 1.492 20 0 GDADRO FC(F)Oc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737638608 598518855 /nfs/dbraw/zinc/51/88/55/598518855.db2.gz GQWPTZQGKNFSSD-GFCCVEGCSA-N 1 0 390.398 1.539 20 0 GDADRO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000737108991 598518932 /nfs/dbraw/zinc/51/89/32/598518932.db2.gz MPDONLCWDLCRPR-NEPJUHHUSA-N 1 0 384.444 1.473 20 0 GDADRO Cc1nc2ccccc2n1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737489258 598519054 /nfs/dbraw/zinc/51/90/54/598519054.db2.gz GQHBQBJPQUMRNB-CYBMUJFWSA-N 1 0 378.444 1.053 20 0 GDADRO Clc1ccc2nc(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cn2c1 ZINC000737574043 598521688 /nfs/dbraw/zinc/52/16/88/598521688.db2.gz PCOFARKDOLTLGR-SNVBAGLBSA-N 1 0 384.835 1.196 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000738432144 598522673 /nfs/dbraw/zinc/52/26/73/598522673.db2.gz CGWDZGAZOCADLB-IAGOWNOFSA-N 1 0 393.499 1.359 20 0 GDADRO c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738433288 598522686 /nfs/dbraw/zinc/52/26/86/598522686.db2.gz SHKATVYKPLLULN-OAHLLOKOSA-N 1 0 390.455 1.140 20 0 GDADRO CCCC(=O)Nc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736415687 598523174 /nfs/dbraw/zinc/52/31/74/598523174.db2.gz IZBMDQVMLWQLQV-AWEZNQCLSA-N 1 0 395.471 1.633 20 0 GDADRO Cc1ccc([C@@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N(C)C)cc1 ZINC000737321142 598528132 /nfs/dbraw/zinc/52/81/32/598528132.db2.gz ZASPZGMYKIISIW-WMLDXEAASA-N 1 0 381.488 1.306 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@H](C2OCCO2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737843868 598553333 /nfs/dbraw/zinc/55/33/33/598553333.db2.gz NTOCPKYACBFEIX-NSHDSACASA-N 1 0 378.458 1.342 20 0 GDADRO CO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736964142 598554961 /nfs/dbraw/zinc/55/49/61/598554961.db2.gz ZUZVLXSSENDAAU-NSHDSACASA-N 1 0 376.486 1.856 20 0 GDADRO CN1CCO[C@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736867078 598561840 /nfs/dbraw/zinc/56/18/40/598561840.db2.gz JDEPUVUEJMPBFK-LJQANCHMSA-N 1 0 394.479 1.866 20 0 GDADRO CN1CCO[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736867073 598562000 /nfs/dbraw/zinc/56/20/00/598562000.db2.gz JDEPUVUEJMPBFK-IBGZPJMESA-N 1 0 394.479 1.866 20 0 GDADRO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738065915 598580114 /nfs/dbraw/zinc/58/01/14/598580114.db2.gz NKMYBYNEBHENMC-GOSISDBHSA-N 1 0 383.500 1.828 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736756044 598600123 /nfs/dbraw/zinc/60/01/23/598600123.db2.gz HHTOZSWNJVECCK-OAHLLOKOSA-N 1 0 382.424 1.815 20 0 GDADRO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000736866882 598607235 /nfs/dbraw/zinc/60/72/35/598607235.db2.gz IGZPDOMKQOUCTM-UHFFFAOYSA-N 1 0 399.480 1.419 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000736859912 598618613 /nfs/dbraw/zinc/61/86/13/598618613.db2.gz KBASJHTZZLGJAC-QGZVFWFLSA-N 1 0 385.516 1.347 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000738161399 598639332 /nfs/dbraw/zinc/63/93/32/598639332.db2.gz DGOWGHUZFBFICE-CYBMUJFWSA-N 1 0 387.419 1.031 20 0 GDADRO C[C@H](CNC(=O)COc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000736015009 598665931 /nfs/dbraw/zinc/66/59/31/598665931.db2.gz WKKQZTJWXVSKLW-OAHLLOKOSA-N 1 0 380.452 1.882 20 0 GDADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000737006248 598682745 /nfs/dbraw/zinc/68/27/45/598682745.db2.gz ILKCMBQFAJPYFP-GXTWGEPZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCCC[C@H]1C ZINC000736267900 598689663 /nfs/dbraw/zinc/68/96/63/598689663.db2.gz QJQPFGJKPSXHKX-NEPJUHHUSA-N 1 0 382.465 1.547 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735888583 598699740 /nfs/dbraw/zinc/69/97/40/598699740.db2.gz NDHSNYYNXPFOLT-FUHWJXTLSA-N 1 0 383.500 1.825 20 0 GDADRO c1ccc(C[C@@H](CN2CCOCC2)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000738428957 598714533 /nfs/dbraw/zinc/71/45/33/598714533.db2.gz QJRLHNUANPGKLI-FQEVSTJZSA-N 1 0 378.480 1.900 20 0 GDADRO Clc1nsc(N2CCC(CC[NH+]3CCOCC3)CC2)c1-c1nn[nH]n1 ZINC000737583907 598748102 /nfs/dbraw/zinc/74/81/02/598748102.db2.gz NUSNWORDUWNVBS-UHFFFAOYSA-N 1 0 383.909 1.915 20 0 GDADRO c1cnc(N2CC[NH+](CCCCNc3ccc(-c4nn[nH]n4)cn3)CC2)nc1 ZINC000738446331 598796940 /nfs/dbraw/zinc/79/69/40/598796940.db2.gz VWPQLRPDBYFZTP-UHFFFAOYSA-N 1 0 380.460 1.066 20 0 GDADRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c(O)c1 ZINC000737065136 598805330 /nfs/dbraw/zinc/80/53/30/598805330.db2.gz BNRQRVLXVYOLRU-UHFFFAOYSA-N 1 0 396.451 1.785 20 0 GDADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736852096 598811749 /nfs/dbraw/zinc/81/17/49/598811749.db2.gz NFZGQVVSKGBDKZ-UHFFFAOYSA-N 1 0 395.467 1.995 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)CC[NH+](C)C)c1-c1nn[nH]n1 ZINC000737189152 598813799 /nfs/dbraw/zinc/81/37/99/598813799.db2.gz JYZBDXJXDDUBJB-JTQLQIEISA-N 1 0 375.502 1.931 20 0 GDADRO COc1ccc([C@@H](CO)[N@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737077308 598821022 /nfs/dbraw/zinc/82/10/22/598821022.db2.gz VVLUNTLTUSTFQB-VQIMIIECSA-N 1 0 399.451 1.280 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736409509 599293196 /nfs/dbraw/zinc/29/31/96/599293196.db2.gz WBSGFQROJMCMOU-HZPDHXFCSA-N 1 0 376.486 1.255 20 0 GDADRO Cc1nc(SCC(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737484047 599299403 /nfs/dbraw/zinc/29/94/03/599299403.db2.gz RNIASCPTNRZJAF-YGRLFVJLSA-N 1 0 389.529 1.688 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736132431 599300299 /nfs/dbraw/zinc/30/02/99/599300299.db2.gz OABMCRBGBNFALJ-IGCXYCKISA-N 1 0 397.483 1.430 20 0 GDADRO C[NH+](C)Cc1cccc(CNC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736771461 599323976 /nfs/dbraw/zinc/32/39/76/599323976.db2.gz MLGYHFSDMBAMER-UHFFFAOYSA-N 1 0 395.467 1.807 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821253579 599347625 /nfs/dbraw/zinc/34/76/25/599347625.db2.gz HLQJNYBWWPQISE-WCQYABFASA-N 1 0 398.920 1.871 20 0 GDADRO CC[C@@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)[NH+](CC)CC ZINC000736313117 599358550 /nfs/dbraw/zinc/35/85/50/599358550.db2.gz LHRBIVZREXZDRE-INIZCTEOSA-N 1 0 389.479 1.775 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823594639 599361464 /nfs/dbraw/zinc/36/14/64/599361464.db2.gz NQQRMLAUVVMSKI-CQSZACIVSA-N 1 0 376.486 1.363 20 0 GDADRO CC[C@H](C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+](CC)CC ZINC000736313689 599373269 /nfs/dbraw/zinc/37/32/69/599373269.db2.gz OUPAAFBASWZLBU-MRXNPFEDSA-N 1 0 386.504 1.467 20 0 GDADRO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821872107 599383120 /nfs/dbraw/zinc/38/31/20/599383120.db2.gz IWIRZVGWXYIANY-YVEFUNNKSA-N 1 0 382.424 1.459 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000820410382 599388084 /nfs/dbraw/zinc/38/80/84/599388084.db2.gz DYVMPECQKYHDSP-QWHCGFSZSA-N 1 0 391.435 1.891 20 0 GDADRO C[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000820711256 599438918 /nfs/dbraw/zinc/43/89/18/599438918.db2.gz VQHJRRZOORGGAW-QWHCGFSZSA-N 1 0 375.452 1.925 20 0 GDADRO CC(C)[NH+](CCNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000820117297 599451360 /nfs/dbraw/zinc/45/13/60/599451360.db2.gz ZTMWIFJTPQWTBV-UHFFFAOYSA-N 1 0 375.477 1.664 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000822336920 599470072 /nfs/dbraw/zinc/47/00/72/599470072.db2.gz UGEZCHOXEIQYJL-SFHVURJKSA-N 1 0 394.527 1.829 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000738420749 599487674 /nfs/dbraw/zinc/48/76/74/599487674.db2.gz JZPKKUFERTXYPN-UHFFFAOYSA-N 1 0 379.380 1.412 20 0 GDADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000736565911 599511132 /nfs/dbraw/zinc/51/11/32/599511132.db2.gz UCPOMADSQFGDDA-UHFFFAOYSA-N 1 0 391.863 1.307 20 0 GDADRO CC[C@H](CO)[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccccc1 ZINC000736355147 599517617 /nfs/dbraw/zinc/51/76/17/599517617.db2.gz YIWQYPHJTHTYPO-MRXNPFEDSA-N 1 0 397.483 1.632 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000822204643 599518848 /nfs/dbraw/zinc/51/88/48/599518848.db2.gz VZDBOTRITYGXAF-CYBMUJFWSA-N 1 0 384.463 1.332 20 0 GDADRO C[C@H]([NH2+]C(C)(C)CO)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736129670 599559026 /nfs/dbraw/zinc/55/90/26/599559026.db2.gz DUPZXWGOQSURCI-JTQLQIEISA-N 1 0 378.502 1.885 20 0 GDADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC[C@H]([NH+]4CCCC4)C3)o2)c1 ZINC000823738356 599565970 /nfs/dbraw/zinc/56/59/70/599565970.db2.gz RZTIQIOYVYJLSK-INIZCTEOSA-N 1 0 380.456 1.977 20 0 GDADRO C[C@@H](CNc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000820276754 599566020 /nfs/dbraw/zinc/56/60/20/599566020.db2.gz YHWPIXAAEAYQRH-LBPRGKRZSA-N 1 0 387.875 1.870 20 0 GDADRO CC[C@H]1CN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC[N@@H+]1CCOC ZINC000820995375 599573908 /nfs/dbraw/zinc/57/39/08/599573908.db2.gz QNAKHPCNYISTQV-INIZCTEOSA-N 1 0 398.471 1.459 20 0 GDADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CC[C@H](C[NH+]4CCCC4)C3)o2)c1 ZINC000823737667 599579353 /nfs/dbraw/zinc/57/93/53/599579353.db2.gz HPMVYJBSCUMRKN-CQSZACIVSA-N 1 0 380.456 1.834 20 0 GDADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CC[C@@H](C[NH+]4CCCC4)C3)o2)c1 ZINC000823737665 599579616 /nfs/dbraw/zinc/57/96/16/599579616.db2.gz HPMVYJBSCUMRKN-AWEZNQCLSA-N 1 0 380.456 1.834 20 0 GDADRO COCCOC[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821691798 599587402 /nfs/dbraw/zinc/58/74/02/599587402.db2.gz FNJUSEDKWSGRGD-GFCCVEGCSA-N 1 0 380.474 1.242 20 0 GDADRO CN1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1=O ZINC000736853320 599588847 /nfs/dbraw/zinc/58/88/47/599588847.db2.gz WFNLGNBMIVIEKA-CYBMUJFWSA-N 1 0 377.836 1.011 20 0 GDADRO Cc1oc(NC(=O)CN2CCC[N@@H+](C3CCCC3)CC2)c(-c2nn[nH]n2)c1C ZINC000737553374 599592360 /nfs/dbraw/zinc/59/23/60/599592360.db2.gz UYNQZFJINNNZGZ-UHFFFAOYSA-N 1 0 387.488 1.965 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1-c1nn[nH]n1 ZINC000822319582 599599024 /nfs/dbraw/zinc/59/90/24/599599024.db2.gz UCJMEQNCNPSDBD-ZIAGYGMSSA-N 1 0 385.472 1.493 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1-c1nn[nH]n1 ZINC000822308329 599613323 /nfs/dbraw/zinc/61/33/23/599613323.db2.gz CWIBMQJBNRKLMI-HNNXBMFYSA-N 1 0 397.483 1.448 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[nH]n2)C1 ZINC000821088829 599615782 /nfs/dbraw/zinc/61/57/82/599615782.db2.gz XTGLOPAGPFWIPV-CQSZACIVSA-N 1 0 385.472 1.304 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821625909 599641583 /nfs/dbraw/zinc/64/15/83/599641583.db2.gz YJYGLNGSHKSTHD-SJLPKXTDSA-N 1 0 383.500 1.778 20 0 GDADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000822974540 599656442 /nfs/dbraw/zinc/65/64/42/599656442.db2.gz QVEBUTDFDSQEIP-UHFFFAOYSA-N 1 0 398.511 1.903 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821088425 599675044 /nfs/dbraw/zinc/67/50/44/599675044.db2.gz NMEGJSSBKWIBRJ-CYBMUJFWSA-N 1 0 375.452 1.879 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@@H+]1C ZINC000820657022 599676131 /nfs/dbraw/zinc/67/61/31/599676131.db2.gz ICUFFPBDHULAPA-YJBOKZPZSA-N 1 0 398.515 1.177 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000823211859 599677388 /nfs/dbraw/zinc/67/73/88/599677388.db2.gz TULKAJURHVRSKG-KRWDZBQOSA-N 1 0 399.499 1.905 20 0 GDADRO CN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000821627269 599698079 /nfs/dbraw/zinc/69/80/79/599698079.db2.gz UQLBRZDURILAHL-UHFFFAOYSA-N 1 0 391.479 1.891 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736677764 599962285 /nfs/dbraw/zinc/96/22/85/599962285.db2.gz PBQWYSATIXCHEZ-OAHLLOKOSA-N 1 0 392.500 1.417 20 0 GDADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000819864933 607448893 /nfs/dbraw/zinc/44/88/93/607448893.db2.gz ABZJAZZEHARNOF-YPMHNXCESA-N 1 0 393.879 1.110 20 0 GDADRO O=C(CCN1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822969567 607450048 /nfs/dbraw/zinc/45/00/48/607450048.db2.gz RFOYUYJNGPIXRO-CYBMUJFWSA-N 1 0 375.864 1.629 20 0 GDADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000824763053 607470180 /nfs/dbraw/zinc/47/01/80/607470180.db2.gz JTAIGQILUMTJQO-ZIAGYGMSSA-N 1 0 390.455 1.576 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(CCOc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824295943 607472764 /nfs/dbraw/zinc/47/27/64/607472764.db2.gz BVHJQQBEJAITGO-UHFFFAOYSA-N 1 0 399.543 1.736 20 0 GDADRO O=C1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CN1CCOc1ccccc1 ZINC000823518797 607484839 /nfs/dbraw/zinc/48/48/39/607484839.db2.gz AAQCFYWOOFKLEF-INIZCTEOSA-N 1 0 396.426 1.775 20 0 GDADRO C[C@H]1CN(Cc2ccnc(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000824992563 607495938 /nfs/dbraw/zinc/49/59/38/607495938.db2.gz MPSXRDYSXFDONT-KXBFYZLASA-N 1 0 379.468 1.501 20 0 GDADRO COc1ccc(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1-c1nn[nH]n1 ZINC000826192128 607501501 /nfs/dbraw/zinc/50/15/01/607501501.db2.gz AKOMIBBXEBMLDN-GFCCVEGCSA-N 1 0 384.362 1.470 20 0 GDADRO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826181427 607514874 /nfs/dbraw/zinc/51/48/74/607514874.db2.gz ZAODXPBBLYUWOK-UHFFFAOYSA-N 1 0 395.467 1.991 20 0 GDADRO C[C@H]1CN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C[C@H]1[NH+](C)C ZINC000828378393 601755501 /nfs/dbraw/zinc/75/55/01/601755501.db2.gz QIIYPVYSWOCTMU-MAUKXSAKSA-N 1 0 389.500 1.307 20 0 GDADRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825915293 607526673 /nfs/dbraw/zinc/52/66/73/607526673.db2.gz WTYIFCPCDVSKBC-MRXNPFEDSA-N 1 0 380.456 1.938 20 0 GDADRO COc1ccc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1-c1nn[nH]n1 ZINC000826199113 607569320 /nfs/dbraw/zinc/56/93/20/607569320.db2.gz QLIZHJNUWJMDTR-GFCCVEGCSA-N 1 0 375.477 1.651 20 0 GDADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1-c1nn[nH]n1 ZINC000826202514 607569491 /nfs/dbraw/zinc/56/94/91/607569491.db2.gz CIYDMVOFBLISIP-UHFFFAOYSA-N 1 0 394.482 1.005 20 0 GDADRO COc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1-c1nn[nH]n1 ZINC000826199947 607573822 /nfs/dbraw/zinc/57/38/22/607573822.db2.gz SLHZOZMUZIEYOH-QGZVFWFLSA-N 1 0 395.467 1.977 20 0 GDADRO Cc1cccc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)c1-c1nn[nH]n1 ZINC000826303515 607581143 /nfs/dbraw/zinc/58/11/43/607581143.db2.gz SSSAVHDOWWFLFL-UHFFFAOYSA-N 1 0 386.481 1.715 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)CCCC1 ZINC000825851566 607586820 /nfs/dbraw/zinc/58/68/20/607586820.db2.gz WEQKKQRZRIGJPL-UHFFFAOYSA-N 1 0 384.893 1.673 20 0 GDADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000826490472 607587344 /nfs/dbraw/zinc/58/73/44/607587344.db2.gz WQLOPSWUNGRIHI-JTQLQIEISA-N 1 0 382.877 1.283 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000824875752 607590255 /nfs/dbraw/zinc/59/02/55/607590255.db2.gz ORNQGSIAQVBRMA-GJZGRUSLSA-N 1 0 392.529 1.903 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)C[NH+]1CCCCC1 ZINC000824426274 607593471 /nfs/dbraw/zinc/59/34/71/607593471.db2.gz CLCVGYOMVUSUKW-GFCCVEGCSA-N 1 0 382.465 1.406 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000825451528 607602825 /nfs/dbraw/zinc/60/28/25/607602825.db2.gz JDMSQQKFFWWBFT-LLVKDONJSA-N 1 0 384.893 1.530 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000825458736 607613030 /nfs/dbraw/zinc/61/30/30/607613030.db2.gz DXWPWFZTPXKLGN-NSHDSACASA-N 1 0 384.893 1.673 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825850207 607620049 /nfs/dbraw/zinc/62/00/49/607620049.db2.gz OKAZCXKBJTXSFF-KCPJHIHWSA-N 1 0 392.410 1.469 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000529058781 649935648 /nfs/dbraw/zinc/93/56/48/649935648.db2.gz YSFFSYZSMKTTLM-GFCCVEGCSA-N 1 0 391.896 1.746 20 0 GDADRO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826330957 607638770 /nfs/dbraw/zinc/63/87/70/607638770.db2.gz OLOFCTFFJJNUEX-CXAGYDPISA-N 1 0 380.456 1.863 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000825855925 607662307 /nfs/dbraw/zinc/66/23/07/607662307.db2.gz MACMBDCRKTWJBJ-NEPJUHHUSA-N 1 0 384.893 1.671 20 0 GDADRO C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000828037109 603966441 /nfs/dbraw/zinc/96/64/41/603966441.db2.gz LSMXAQSNHJECLK-KRWDZBQOSA-N 1 0 376.501 1.749 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000824974716 607671058 /nfs/dbraw/zinc/67/10/58/607671058.db2.gz DQOJAQVYOOXVJF-ZANVPECISA-N 1 0 382.877 1.281 20 0 GDADRO O=C(NCc1cc(F)c(Br)cc1F)N1CCOC2(C[NH2+]C2)C1 ZINC000529369529 649941630 /nfs/dbraw/zinc/94/16/30/649941630.db2.gz ITJAIBZXGOQKAA-UHFFFAOYSA-N 1 0 376.201 1.611 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2cc(F)c(Br)cc2F)CCO1 ZINC000529368565 649941732 /nfs/dbraw/zinc/94/17/32/649941732.db2.gz DOBWLQSBBDTDHJ-ISVAXAHUSA-N 1 0 378.217 1.985 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000529384575 649942542 /nfs/dbraw/zinc/94/25/42/649942542.db2.gz YTEBRWWOIIMDPH-HUUCEWRRSA-N 1 0 384.274 1.520 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000826243339 607687788 /nfs/dbraw/zinc/68/77/88/607687788.db2.gz DSBAZEDAUYRKTI-UHFFFAOYSA-N 1 0 394.483 1.608 20 0 GDADRO COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000831918138 604365345 /nfs/dbraw/zinc/36/53/45/604365345.db2.gz MFFOPYXQCXVWGC-BBWFWOEESA-N 1 0 378.469 1.549 20 0 GDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825615721 607745633 /nfs/dbraw/zinc/74/56/33/607745633.db2.gz ILAJLFPFLCKFJT-UHFFFAOYSA-N 1 0 396.455 1.598 20 0 GDADRO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825506395 607747818 /nfs/dbraw/zinc/74/78/18/607747818.db2.gz JKTVQWCLTYRJHN-CXAGYDPISA-N 1 0 386.456 1.448 20 0 GDADRO CC1=C(C(=O)[O-])C[C@@H](C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)O1 ZINC000833585519 605371339 /nfs/dbraw/zinc/37/13/39/605371339.db2.gz XRJLZYQYYQUFQF-SFHVURJKSA-N 1 0 393.528 1.838 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1-c1nn[nH]n1 ZINC000825539982 607766766 /nfs/dbraw/zinc/76/67/66/607766766.db2.gz UJMDPBRYQWLXPA-GFCCVEGCSA-N 1 0 388.432 1.603 20 0 GDADRO c1ccc2nc(N3CCC(C[NH+]4CCOCC4)CC3)c(-c3nn[nH]n3)cc2c1 ZINC000823802555 606048550 /nfs/dbraw/zinc/04/85/50/606048550.db2.gz SIGWLVYGWRAQGH-UHFFFAOYSA-N 1 0 379.468 1.964 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596600 606059049 /nfs/dbraw/zinc/05/90/49/606059049.db2.gz PJNLREDNGSQELY-MRXNPFEDSA-N 1 0 399.499 1.619 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(c3nc4ccccc4cc3-c3nn[nH]n3)CC2)C1 ZINC000821623897 606086741 /nfs/dbraw/zinc/08/67/41/606086741.db2.gz VDQWNWBUCQXDED-MRXNPFEDSA-N 1 0 378.484 1.631 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)c1-c1nn[nH]n1 ZINC000822319672 606119578 /nfs/dbraw/zinc/11/95/78/606119578.db2.gz WPVJAMVNJKHUJC-UHFFFAOYSA-N 1 0 387.488 1.739 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821254668 606184506 /nfs/dbraw/zinc/18/45/06/606184506.db2.gz OHKPOILDVPEBRX-YOEHRIQHSA-N 1 0 392.529 1.303 20 0 GDADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820076585 606195089 /nfs/dbraw/zinc/19/50/89/606195089.db2.gz OAVPCVZXBNEQFG-UHFFFAOYSA-N 1 0 399.499 1.680 20 0 GDADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000822275889 606216829 /nfs/dbraw/zinc/21/68/29/606216829.db2.gz ZGWRBUIOFQLYTC-WBVHZDCISA-N 1 0 377.452 1.962 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](C(C)(C)CO)CC1 ZINC000822204200 606219604 /nfs/dbraw/zinc/21/96/04/606219604.db2.gz HMIVNHLUDLAKDA-UHFFFAOYSA-N 1 0 385.447 1.755 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000822636607 606227239 /nfs/dbraw/zinc/22/72/39/606227239.db2.gz HDBJZKDXHFFPCN-UHFFFAOYSA-N 1 0 379.468 1.642 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000821584852 606237293 /nfs/dbraw/zinc/23/72/93/606237293.db2.gz VFYOBDBDUJSGHH-UHFFFAOYSA-N 1 0 382.428 1.348 20 0 GDADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000823093421 606281190 /nfs/dbraw/zinc/28/11/90/606281190.db2.gz XPJUMCRCXLDDQS-UHFFFAOYSA-N 1 0 398.511 1.808 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561667 606308579 /nfs/dbraw/zinc/30/85/79/606308579.db2.gz HXPQWJRYUPUTLD-OAHLLOKOSA-N 1 0 385.449 1.234 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)Cc1ccccc1 ZINC000821602867 606398306 /nfs/dbraw/zinc/39/83/06/606398306.db2.gz YMIQZQJUIUCDIE-UHFFFAOYSA-N 1 0 397.414 1.193 20 0 GDADRO CC(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000819803188 606484619 /nfs/dbraw/zinc/48/46/19/606484619.db2.gz KWRVAZQWJZBYMP-UHFFFAOYSA-N 1 0 380.399 1.816 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)cs2)[C@H](C)C1 ZINC000821378956 606512724 /nfs/dbraw/zinc/51/27/24/606512724.db2.gz YDSBQPNQTGIEOZ-OCCSQVGLSA-N 1 0 378.502 1.795 20 0 GDADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000822731315 606522687 /nfs/dbraw/zinc/52/26/87/606522687.db2.gz BPSRYTQWOPSWLM-ZDUSSCGKSA-N 1 0 394.426 1.622 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)s1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000823483639 606541635 /nfs/dbraw/zinc/54/16/35/606541635.db2.gz KKDCVZJKCKQALE-UHFFFAOYSA-N 1 0 376.486 1.503 20 0 GDADRO CN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000821570633 606556771 /nfs/dbraw/zinc/55/67/71/606556771.db2.gz DRFGCJWJJJXASN-UHFFFAOYSA-N 1 0 394.483 1.229 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821581798 606586681 /nfs/dbraw/zinc/58/66/81/606586681.db2.gz VBGQNOLYYCTCBP-CMPLNLGQSA-N 1 0 391.863 1.448 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)C[C@@H]1CCOC1 ZINC000819877037 606621057 /nfs/dbraw/zinc/62/10/57/606621057.db2.gz NOAIUCTWOKIZPX-MNOVXSKESA-N 1 0 376.486 1.712 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000821351184 606621845 /nfs/dbraw/zinc/62/18/45/606621845.db2.gz MVMCTJPEIFLIHY-UONOGXRCSA-N 1 0 376.461 1.107 20 0 GDADRO 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C[NH+](C)CCCOc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825865762 609226520 /nfs/dbraw/zinc/22/65/20/609226520.db2.gz JYBDGHIDIHJDPX-SFHVURJKSA-N 1 0 396.451 1.869 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825213534 609238815 /nfs/dbraw/zinc/23/88/15/609238815.db2.gz ZUPRGQLZZVOSEZ-HWWQOWPSSA-N 1 0 396.492 1.717 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c1-c1nn[nH]n1 ZINC000826077679 609267687 /nfs/dbraw/zinc/26/76/87/609267687.db2.gz QGXLLRZPTBIYDS-LLVKDONJSA-N 1 0 398.475 1.470 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccnc2[nH]cnc21 ZINC000825865355 609298108 /nfs/dbraw/zinc/29/81/08/609298108.db2.gz AASMNXKNMKUOAH-UHFFFAOYSA-N 1 0 391.439 1.342 20 0 GDADRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824607480 609325194 /nfs/dbraw/zinc/32/51/94/609325194.db2.gz YWJAZBNHPIIYID-NSHDSACASA-N 1 0 390.444 1.547 20 0 GDADRO 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1.415 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)C[C@H]1[NH+](C)C ZINC000534907701 650234892 /nfs/dbraw/zinc/23/48/92/650234892.db2.gz NWCAVFRPEOXSIO-SJORKVTESA-N 1 0 380.539 1.598 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)C(=O)N1CCc2ccc(Br)cc21 ZINC000536019866 650263432 /nfs/dbraw/zinc/26/34/32/650263432.db2.gz ZPAWIPMOUAXQPR-UHFFFAOYSA-N 1 0 389.253 1.383 20 0 GDADRO Cc1nc(C)c(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000536154993 650265574 /nfs/dbraw/zinc/26/55/74/650265574.db2.gz OVZTZEJFPYPDSM-ZDUSSCGKSA-N 1 0 376.548 1.131 20 0 GDADRO Cc1nc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)sc1C ZINC000536164629 650266009 /nfs/dbraw/zinc/26/60/09/650266009.db2.gz DTJKVWLQKIFTSP-ZDUSSCGKSA-N 1 0 376.548 1.131 20 0 GDADRO O=S1(=O)CCO[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000536637768 650274733 /nfs/dbraw/zinc/27/47/33/650274733.db2.gz IDRDAUXVORZOQP-AWEZNQCLSA-N 1 0 388.283 1.628 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000537718221 650299620 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GDADRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000540198839 650350684 /nfs/dbraw/zinc/35/06/84/650350684.db2.gz LQPAJEJAPFBDSJ-JTQLQIEISA-N 1 0 379.935 1.999 20 0 GDADRO COCCCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000540263828 650354313 /nfs/dbraw/zinc/35/43/13/650354313.db2.gz AADWRCRUHBIYRU-PMPSAXMXSA-N 1 0 375.535 1.094 20 0 GDADRO NC(=O)NCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000540626945 650366301 /nfs/dbraw/zinc/36/63/01/650366301.db2.gz TXDLJLXYXBYHFD-UHFFFAOYSA-N 1 0 399.289 1.077 20 0 GDADRO C[C@H](NC(=O)NCCN(C)S(=O)(=O)c1cccs1)C1=CC[N@H+](C)CC1 ZINC000540965253 650374777 /nfs/dbraw/zinc/37/47/77/650374777.db2.gz TZILSXWRGHQMDT-ZDUSSCGKSA-N 1 0 386.543 1.318 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000541317605 650382047 /nfs/dbraw/zinc/38/20/47/650382047.db2.gz CZVCFZWFOHQHKU-HZPDHXFCSA-N 1 0 375.535 1.096 20 0 GDADRO C[C@@H]1[C@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000916160788 660187609 /nfs/dbraw/zinc/18/76/09/660187609.db2.gz FYWBGIHXGSLDAA-IUODEOHRSA-N 1 0 397.317 1.961 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000542184003 650400271 /nfs/dbraw/zinc/40/02/71/650400271.db2.gz QLJUILKHZAFEIF-ZDUSSCGKSA-N 1 0 385.306 1.777 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000542458647 650405330 /nfs/dbraw/zinc/40/53/30/650405330.db2.gz QPVVCFPHRFBVSM-UHFFFAOYSA-N 1 0 382.262 1.338 20 0 GDADRO C[C@H](CNC(=O)c1cc2c(cc1Br)NC(=O)CO2)[NH+]1CCCC1 ZINC000543034332 650417340 /nfs/dbraw/zinc/41/73/40/650417340.db2.gz JOIMAUAGVXDIMY-SNVBAGLBSA-N 1 0 382.258 1.994 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000544041775 650433645 /nfs/dbraw/zinc/43/36/45/650433645.db2.gz AWSQRSUAUGDHJU-LBPRGKRZSA-N 1 0 391.921 1.985 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)NCCN(C)S(=O)(=O)c2cccs2)CC1 ZINC000545858350 650462477 /nfs/dbraw/zinc/46/24/77/650462477.db2.gz BOSLBOMVSNCMRW-UHFFFAOYSA-N 1 0 386.543 1.320 20 0 GDADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1Cl ZINC000545862684 650462834 /nfs/dbraw/zinc/46/28/34/650462834.db2.gz RYGVPCVOPDMWCI-HNNXBMFYSA-N 1 0 376.240 1.123 20 0 GDADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000545891033 650464233 /nfs/dbraw/zinc/46/42/33/650464233.db2.gz MXVIDMJDJJMOTQ-INIZCTEOSA-N 1 0 377.551 1.560 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNc2ncnc3ccc(I)cc32)C1 ZINC000546582036 650479790 /nfs/dbraw/zinc/47/97/90/650479790.db2.gz SIWBILAHOPZGKF-AWEZNQCLSA-N 1 0 384.221 1.713 20 0 GDADRO CC[NH+]1CCN(CC(=O)NCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000546821905 650487333 /nfs/dbraw/zinc/48/73/33/650487333.db2.gz MOSIPHOQRLBFFJ-UHFFFAOYSA-N 1 0 394.317 1.659 20 0 GDADRO C[N@H+](CC(=O)NCc1cccc(N2CCCS2(=O)=O)c1)[C@H]1CCSC1 ZINC000547320430 650495110 /nfs/dbraw/zinc/49/51/10/650495110.db2.gz PNOWWMOOUUIECG-INIZCTEOSA-N 1 0 383.539 1.280 20 0 GDADRO CS[C@@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)C[C@H]1[NH+](C)C ZINC000547990852 650526972 /nfs/dbraw/zinc/52/69/72/650526972.db2.gz BXRQKVWFEOCEGY-OJKRMQCYSA-N 1 0 386.587 1.216 20 0 GDADRO CS[C@@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)C[C@@H]1[NH+](C)C ZINC000547990851 650527040 /nfs/dbraw/zinc/52/70/40/650527040.db2.gz BXRQKVWFEOCEGY-GRYWWWGRSA-N 1 0 386.587 1.216 20 0 GDADRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000549098858 650570112 /nfs/dbraw/zinc/57/01/12/650570112.db2.gz CGDHOZFWYIXNTL-UHFFFAOYSA-N 1 0 381.885 1.979 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000549759335 650582119 /nfs/dbraw/zinc/58/21/19/650582119.db2.gz NIECQPFYVIGGFE-CQSZACIVSA-N 1 0 387.933 1.999 20 0 GDADRO COCCCCS(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000550825185 650597172 /nfs/dbraw/zinc/59/71/72/650597172.db2.gz SJBLRRBOMCMFES-QGZVFWFLSA-N 1 0 378.579 1.936 20 0 GDADRO COCC(=O)N1CCC([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000551530712 650609352 /nfs/dbraw/zinc/60/93/52/650609352.db2.gz VPIXTZTVWUMOJW-UHFFFAOYSA-N 1 0 399.285 1.963 20 0 GDADRO COc1cc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc(OC)c1Br ZINC000552025171 650617659 /nfs/dbraw/zinc/61/76/59/650617659.db2.gz BALMRTAZTHEFMB-QGZVFWFLSA-N 1 0 399.285 1.653 20 0 GDADRO C[C@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)C(=O)NCC[NH+](C)C ZINC000552081362 650618823 /nfs/dbraw/zinc/61/88/23/650618823.db2.gz HETUIXBTWZGTAM-RYUDHWBXSA-N 1 0 386.290 1.399 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000552135252 650621075 /nfs/dbraw/zinc/62/10/75/650621075.db2.gz BEINHADQLSZEEH-OAHLLOKOSA-N 1 0 387.571 1.618 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000553096625 650638223 /nfs/dbraw/zinc/63/82/23/650638223.db2.gz WQFMKCDNARVISM-RBSFLKMASA-N 1 0 377.576 1.133 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)C[NH+](C)C ZINC000553230752 650639795 /nfs/dbraw/zinc/63/97/95/650639795.db2.gz ZHSRJSYMWVVYCX-GFCCVEGCSA-N 1 0 380.432 1.879 20 0 GDADRO CC(C)[NH+](CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)C(C)C ZINC000554265423 650672122 /nfs/dbraw/zinc/67/21/22/650672122.db2.gz NNEWPTDCTHVZHS-LBPRGKRZSA-N 1 0 390.472 1.227 20 0 GDADRO CCS(=O)(=O)NCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555132794 650686433 /nfs/dbraw/zinc/68/64/33/650686433.db2.gz WTUJUGKRNSKAFZ-CQSZACIVSA-N 1 0 376.910 1.181 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000557347317 650723256 /nfs/dbraw/zinc/72/32/56/650723256.db2.gz DGAVMMRINBONMT-NSHDSACASA-N 1 0 375.878 1.727 20 0 GDADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1cccc(Br)c1Cl ZINC000557347086 650723291 /nfs/dbraw/zinc/72/32/91/650723291.db2.gz CBSWBOQCVLOMIN-SECBINFHSA-N 1 0 383.695 1.759 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000557490003 650726723 /nfs/dbraw/zinc/72/67/23/650726723.db2.gz VLHVTYPSEKPPCQ-NSHDSACASA-N 1 0 380.297 1.482 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000559363548 650732657 /nfs/dbraw/zinc/73/26/57/650732657.db2.gz IPKQIIVUADVZAI-UHFFFAOYSA-N 1 0 376.288 1.375 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000564083150 650747774 /nfs/dbraw/zinc/74/77/74/650747774.db2.gz AUIPITXMZRSUBC-IUCAKERBSA-N 1 0 379.276 1.640 20 0 GDADRO NC(=O)NC(=O)CC[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000564122920 650749860 /nfs/dbraw/zinc/74/98/60/650749860.db2.gz BZRDQDDAAFTALO-GFCCVEGCSA-N 1 0 381.782 1.693 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000564407441 650756977 /nfs/dbraw/zinc/75/69/77/650756977.db2.gz FAHRAIFAGYLLEX-AWEZNQCLSA-N 1 0 391.559 1.259 20 0 GDADRO C[NH2+]CCCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000564454413 650758243 /nfs/dbraw/zinc/75/82/43/650758243.db2.gz RXYJJAYXWKWKEW-UHFFFAOYSA-N 1 0 398.710 1.107 20 0 GDADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)CCNC(N)=O)CC1 ZINC000564589785 650762513 /nfs/dbraw/zinc/76/25/13/650762513.db2.gz DPBRUKQSHAHEEZ-UHFFFAOYSA-N 1 0 397.317 1.930 20 0 GDADRO COCCOC[C@@H](O)C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000564847734 650769646 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GDADRO C[NH2+]CCN(C)C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000564992743 650775703 /nfs/dbraw/zinc/77/57/03/650775703.db2.gz CDHFXEZYHSKCNP-UHFFFAOYSA-N 1 0 387.811 1.315 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1F ZINC000564996337 650776112 /nfs/dbraw/zinc/77/61/12/650776112.db2.gz FZHKDGZBYXBOAK-OCCSQVGLSA-N 1 0 391.534 1.340 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000564997267 650776159 /nfs/dbraw/zinc/77/61/59/650776159.db2.gz ZOWDZAKCVCQHCM-KEMUVXCRSA-N 1 0 382.258 1.896 20 0 GDADRO Cc1cc(Br)c(NC(=O)C[NH2+]C(CO)CO)c(Br)c1 ZINC000565166937 650783341 /nfs/dbraw/zinc/78/33/41/650783341.db2.gz VQNVGQDBCPOHNR-UHFFFAOYSA-N 1 0 396.079 1.401 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000565332308 650792350 /nfs/dbraw/zinc/79/23/50/650792350.db2.gz FVTDXGZFSIKVCG-AWEZNQCLSA-N 1 0 394.324 1.728 20 0 GDADRO COC1(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CC[NH2+]CC1 ZINC000565364519 650793587 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[NH3+]C1CCC(NC(=O)c2cccn3c(I)cnc23)CC1 ZINC000131715462 644746898 /nfs/dbraw/zinc/74/68/98/644746898.db2.gz BNHLNTUGFTUUDM-UHFFFAOYSA-N 1 0 384.221 1.939 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCOC[C@@H]2CCCO2)cc1Br ZINC000568366623 650954598 /nfs/dbraw/zinc/95/45/98/650954598.db2.gz MQPGCRZPOYCROM-LBPRGKRZSA-N 1 0 393.303 1.382 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000568279199 650950564 /nfs/dbraw/zinc/95/05/64/650950564.db2.gz DFSUVQDCFOXHCA-BDAKNGLRSA-N 1 0 381.267 1.955 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCOc3ccc(Cl)c(Cl)c3)CCN2C1=O ZINC000568288065 650951027 /nfs/dbraw/zinc/95/10/27/650951027.db2.gz UEVRUYRIXJPYJQ-YGRLFVJLSA-N 1 0 387.267 1.326 20 0 GDADRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000158496768 644836170 /nfs/dbraw/zinc/83/61/70/644836170.db2.gz XAEUBZPKSLYGKW-CYBMUJFWSA-N 1 0 385.511 1.602 20 0 GDADRO NS(=O)(=O)c1ccccc1C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000568383348 650955578 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GDADRO [NH3+]C1(CNC(=O)C(=O)NCCc2ccc(Br)cc2)CCCCC1 ZINC000419180284 645913962 /nfs/dbraw/zinc/91/39/62/645913962.db2.gz ANDOGTRYIVGGFB-UHFFFAOYSA-N 1 0 382.302 1.886 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419180267 645913988 /nfs/dbraw/zinc/91/39/88/645913988.db2.gz AJIYRUNHBACZLR-ZIAGYGMSSA-N 1 0 380.286 1.176 20 0 GDADRO CCCN(C(=O)C(=O)NCc1ccc(O)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000419417027 645916673 /nfs/dbraw/zinc/91/66/73/645916673.db2.gz WVVFMMSEZGEHSZ-LBPRGKRZSA-N 1 0 384.274 1.371 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])cc1Br ZINC000419434565 645917014 /nfs/dbraw/zinc/91/70/14/645917014.db2.gz BBCYLMNXOUPLDI-GFCCVEGCSA-N 1 0 384.274 1.414 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419461713 645919209 /nfs/dbraw/zinc/91/92/09/645919209.db2.gz LRSXGPXFFWBPIU-QWHCGFSZSA-N 1 0 394.313 1.806 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)Oc1ccccc1Br ZINC000419606921 645924085 /nfs/dbraw/zinc/92/40/85/645924085.db2.gz GKRKCAWWQZLLMI-OLZOCXBDSA-N 1 0 398.301 1.448 20 0 GDADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419640412 645925495 /nfs/dbraw/zinc/92/54/95/645925495.db2.gz DBUZKBGTCBIQBC-OLUVUFQESA-N 1 0 398.326 1.826 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(Br)s1 ZINC000419708008 645927335 /nfs/dbraw/zinc/92/73/35/645927335.db2.gz LGAXCZMZADEXTB-BONVTDFDSA-N 1 0 386.315 1.900 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419765357 645930677 /nfs/dbraw/zinc/93/06/77/645930677.db2.gz XATZACSOIBMREV-NWDGAFQWSA-N 1 0 385.295 1.557 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2OC)C1 ZINC000419768833 645931311 /nfs/dbraw/zinc/93/13/11/645931311.db2.gz CINOQGIWDKJGSY-NEPJUHHUSA-N 1 0 398.301 1.703 20 0 GDADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419868456 645932201 /nfs/dbraw/zinc/93/22/01/645932201.db2.gz QXQCRMIYPKGRLZ-ZDUSSCGKSA-N 1 0 388.693 1.914 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c2C1)C1CC1 ZINC000419866977 645932218 /nfs/dbraw/zinc/93/22/18/645932218.db2.gz QGVFTFUMQXAYRO-AWEZNQCLSA-N 1 0 384.249 1.326 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419774356 645932328 /nfs/dbraw/zinc/93/23/28/645932328.db2.gz IBORYSAEYUUCBG-TVQRCGJNSA-N 1 0 384.274 1.488 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1)C1CC1 ZINC000419874286 645933092 /nfs/dbraw/zinc/93/30/92/645933092.db2.gz VVEXKFSICKQRQC-GFCCVEGCSA-N 1 0 386.315 1.855 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000420068420 645934756 /nfs/dbraw/zinc/93/47/56/645934756.db2.gz UVHFBYPNWVVMCO-CQSZACIVSA-N 1 0 384.274 1.270 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000420155084 645937036 /nfs/dbraw/zinc/93/70/36/645937036.db2.gz DUFJROKAWZPULZ-GXTWGEPZSA-N 1 0 384.933 1.302 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N1CCc2c(Br)cccc2[C@H]1C ZINC000420188927 645938051 /nfs/dbraw/zinc/93/80/51/645938051.db2.gz TZMDJAKVGMBZBP-GFCCVEGCSA-N 1 0 398.301 1.247 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420186296 645938074 /nfs/dbraw/zinc/93/80/74/645938074.db2.gz AMLINCCJGKISPG-SWLSCSKDSA-N 1 0 386.279 1.762 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000420189079 645938131 /nfs/dbraw/zinc/93/81/31/645938131.db2.gz NOBALERYXGNGKL-CYBMUJFWSA-N 1 0 386.279 1.373 20 0 GDADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420192761 645938669 /nfs/dbraw/zinc/93/86/69/645938669.db2.gz RCUCDYQFTUHJDA-CHWSQXEVSA-N 1 0 398.301 1.463 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347805 645940826 /nfs/dbraw/zinc/94/08/26/645940826.db2.gz IOUAXBVAGKDTIX-UONOGXRCSA-N 1 0 381.318 1.756 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)CCCO1 ZINC000420475070 645944274 /nfs/dbraw/zinc/94/42/74/645944274.db2.gz ZNGYHMVOLSKYFY-SECBINFHSA-N 1 0 383.695 1.841 20 0 GDADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCNS(=O)(=O)c3sc(=O)[nH]c3C)C[C@H]2C1 ZINC000570922746 651060586 /nfs/dbraw/zinc/06/05/86/651060586.db2.gz HSYREKFHWBIDIM-MPZDIEGVSA-N 1 0 375.516 1.229 20 0 GDADRO Cc1cc(CCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1Br ZINC000570987173 651061729 /nfs/dbraw/zinc/06/17/29/651061729.db2.gz XJWITNHMPQCPPT-DZGCQCFKSA-N 1 0 380.286 1.461 20 0 GDADRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)cc1F ZINC000916575325 660195520 /nfs/dbraw/zinc/19/55/20/660195520.db2.gz MMAYDQIUMRYIQM-VQISRLSMSA-N 1 0 376.425 1.239 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000422304749 646058708 /nfs/dbraw/zinc/05/87/08/646058708.db2.gz JCJBGEGCAGGUBV-LBPRGKRZSA-N 1 0 382.302 1.973 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000422424181 646066958 /nfs/dbraw/zinc/06/69/58/646066958.db2.gz JOGHGCMHYLROFA-IUODEOHRSA-N 1 0 382.302 1.973 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H](C)[NH3+] ZINC000422925054 646099857 /nfs/dbraw/zinc/09/98/57/646099857.db2.gz UYSFOLYAALNTCT-XJKSGUPXSA-N 1 0 387.933 1.792 20 0 GDADRO CC(C)[C@@H](C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H](C)[NH3+] ZINC000422953047 646102716 /nfs/dbraw/zinc/10/27/16/646102716.db2.gz DUSZJNGXZKEUJT-SWLSCSKDSA-N 1 0 389.543 1.005 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000422989217 646105717 /nfs/dbraw/zinc/10/57/17/646105717.db2.gz KXQZRHYCAODOIN-OCCSQVGLSA-N 1 0 380.286 1.475 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000422993053 646106195 /nfs/dbraw/zinc/10/61/95/646106195.db2.gz SFJOEXVXSFLFBT-HIFRSBDPSA-N 1 0 380.286 1.618 20 0 GDADRO O=S(=O)(C[C@H](O)CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccs1 ZINC000423003255 646107602 /nfs/dbraw/zinc/10/76/02/646107602.db2.gz LHFJLHCIFBTMGI-BBWFWOEESA-N 1 0 380.535 1.966 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423006597 646108140 /nfs/dbraw/zinc/10/81/40/646108140.db2.gz VZELJQQXCQTSCW-ZDUSSCGKSA-N 1 0 384.274 1.366 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000423020690 646108830 /nfs/dbraw/zinc/10/88/30/646108830.db2.gz CQCIIKFLOAECJV-CYBMUJFWSA-N 1 0 384.933 1.256 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000423008100 646108942 /nfs/dbraw/zinc/10/89/42/646108942.db2.gz ZJMHFRPURUNYDD-WFASDCNBSA-N 1 0 398.301 1.482 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423075388 646111532 /nfs/dbraw/zinc/11/15/32/646111532.db2.gz OKYIINBDUODYOE-KBPBESRZSA-N 1 0 380.286 1.475 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC1 ZINC000423074450 646111748 /nfs/dbraw/zinc/11/17/48/646111748.db2.gz LWEMRKXPBRVDQJ-GFCCVEGCSA-N 1 0 382.302 1.993 20 0 GDADRO O=C(COC1CC[NH2+]CC1)NCCNC(=O)c1cccc(Br)c1 ZINC000423127480 646115741 /nfs/dbraw/zinc/11/57/41/646115741.db2.gz UACBSRIOPZQMOP-UHFFFAOYSA-N 1 0 384.274 1.064 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423169338 646117149 /nfs/dbraw/zinc/11/71/49/646117149.db2.gz JFRHEVGRVHAOBU-UHFFFAOYSA-N 1 0 376.320 1.912 20 0 GDADRO C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)Oc1ccc(Br)cc1 ZINC000423236118 646120648 /nfs/dbraw/zinc/12/06/48/646120648.db2.gz BVJRIHMEVUHXLE-LBPRGKRZSA-N 1 0 396.289 1.977 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423239651 646121377 /nfs/dbraw/zinc/12/13/77/646121377.db2.gz WDUMLLKPQBVWIY-OKILXGFUSA-N 1 0 398.276 1.900 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000423292667 646123220 /nfs/dbraw/zinc/12/32/20/646123220.db2.gz NVAGBBHBWJOONN-JTQLQIEISA-N 1 0 381.479 1.138 20 0 GDADRO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423390387 646123894 /nfs/dbraw/zinc/12/38/94/646123894.db2.gz VXBPYMMUABGTNH-CKYFFXLPSA-N 1 0 376.320 1.888 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C[C@H](C)[NH2+]1 ZINC000423365261 646123950 /nfs/dbraw/zinc/12/39/50/646123950.db2.gz WISQNGYSSIDEOW-IUCAKERBSA-N 1 0 375.313 1.539 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C[C@H](C)[NH2+]1 ZINC000423365257 646124005 /nfs/dbraw/zinc/12/40/05/646124005.db2.gz WISQNGYSSIDEOW-DTORHVGOSA-N 1 0 375.313 1.539 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2Cl)C[C@H]1[NH3+] ZINC000423455331 646125295 /nfs/dbraw/zinc/12/52/95/646125295.db2.gz LSUAANBOGHMNBF-NOZJJQNGSA-N 1 0 388.693 1.867 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000423514442 646126054 /nfs/dbraw/zinc/12/60/54/646126054.db2.gz SFEMHAYGKLLHQS-ZDUSSCGKSA-N 1 0 394.313 1.921 20 0 GDADRO C[C@@H](NC[C@@H]1C[NH2+]CCN1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423524802 646127239 /nfs/dbraw/zinc/12/72/39/646127239.db2.gz SZEKBEIFIXPPQI-ZJUUUORDSA-N 1 0 381.329 1.195 20 0 GDADRO O=C(C(=O)N1CC[NH2+]CC1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000423523058 646127418 /nfs/dbraw/zinc/12/74/18/646127418.db2.gz MXLZSZIJQUZZFN-CQSZACIVSA-N 1 0 384.249 1.684 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)CC2 ZINC000423560061 646130148 /nfs/dbraw/zinc/13/01/48/646130148.db2.gz FNAYARKMYCOFDL-SFHVURJKSA-N 1 0 394.313 1.840 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000423592154 646134415 /nfs/dbraw/zinc/13/44/15/646134415.db2.gz LEFOQNSPBQSYBE-YWPYICTPSA-N 1 0 395.301 1.703 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423616085 646137962 /nfs/dbraw/zinc/13/79/62/646137962.db2.gz FMVLJEGMFJSABT-OAHLLOKOSA-N 1 0 382.302 1.790 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423656129 646140022 /nfs/dbraw/zinc/14/00/22/646140022.db2.gz WJJDEXUQUDGTCX-ZANVPECISA-N 1 0 375.288 1.723 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000423662917 646140810 /nfs/dbraw/zinc/14/08/10/646140810.db2.gz FYMOMSMPUCPZKF-KGLIPLIRSA-N 1 0 398.301 1.372 20 0 GDADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423987754 646149569 /nfs/dbraw/zinc/14/95/69/646149569.db2.gz HZNDVCMXZHUMFP-HOCLYGCPSA-N 1 0 385.302 1.749 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423990877 646149617 /nfs/dbraw/zinc/14/96/17/646149617.db2.gz DEFVTVJQBUOIPT-HNNXBMFYSA-N 1 0 376.254 1.784 20 0 GDADRO O=C(CCOc1ccc(Cl)cc1Br)NC[C@@H]1C[NH2+]CCO1 ZINC000423990066 646149780 /nfs/dbraw/zinc/14/97/80/646149780.db2.gz JOSNYXQBHHJEDR-NSHDSACASA-N 1 0 377.666 1.976 20 0 GDADRO C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000424001528 646151916 /nfs/dbraw/zinc/15/19/16/646151916.db2.gz CJDPYPAQRHSDRQ-NEPJUHHUSA-N 1 0 375.441 1.077 20 0 GDADRO C[C@H]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[C@@H]1C[NH3+] ZINC000424012963 646152750 /nfs/dbraw/zinc/15/27/50/646152750.db2.gz KEFDIGVMUVJPBT-QWRGUYRKSA-N 1 0 394.269 1.488 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCCO1 ZINC000424021440 646153926 /nfs/dbraw/zinc/15/39/26/646153926.db2.gz NQYBOSLBVCTRCV-QWHCGFSZSA-N 1 0 386.279 1.923 20 0 GDADRO C[NH2+]CCCN(C)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000424032762 646155314 /nfs/dbraw/zinc/15/53/14/646155314.db2.gz LMVSDXLZPHVJBI-UHFFFAOYSA-N 1 0 381.523 1.908 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000424060396 646157484 /nfs/dbraw/zinc/15/74/84/646157484.db2.gz PTQIRUGMVAOUAA-CQSZACIVSA-N 1 0 396.285 1.114 20 0 GDADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)CCCO1 ZINC000432326311 646180226 /nfs/dbraw/zinc/18/02/26/646180226.db2.gz OYZOMQSPPWQBFJ-GFCCVEGCSA-N 1 0 384.424 1.225 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000432514921 646189101 /nfs/dbraw/zinc/18/91/01/646189101.db2.gz OGZGKFYVEHYILJ-GZMMTYOYSA-N 1 0 384.221 1.895 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(I)ccc2O)C1 ZINC000436861872 646206392 /nfs/dbraw/zinc/20/63/92/646206392.db2.gz CTNDRFUPUMAASA-NSHDSACASA-N 1 0 390.221 1.447 20 0 GDADRO C[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccs1)[N@@H+]1CCCC[C@@H]1C ZINC000437409280 646208428 /nfs/dbraw/zinc/20/84/28/646208428.db2.gz GDPVRXMFXRKREJ-KBPBESRZSA-N 1 0 388.559 1.589 20 0 GDADRO CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439434636 646231465 /nfs/dbraw/zinc/23/14/65/646231465.db2.gz SUYYAZYTOWJMHM-TZMCWYRMSA-N 1 0 375.238 1.538 20 0 GDADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 ZINC000440082156 646238874 /nfs/dbraw/zinc/23/88/74/646238874.db2.gz RDYCDVZUTFYROI-LBPRGKRZSA-N 1 0 395.522 1.596 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440443696 646243449 /nfs/dbraw/zinc/24/34/49/646243449.db2.gz MHQGWVCCNPWRLL-GFCCVEGCSA-N 1 0 375.288 1.973 20 0 GDADRO O=S(=O)(NCC[NH2+]Cc1cnc2cnccn12)c1ccc(Cl)cc1F ZINC000441372538 646255897 /nfs/dbraw/zinc/25/58/97/646255897.db2.gz CIDSMKNYQQWBMO-UHFFFAOYSA-N 1 0 383.836 1.590 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000442597340 646273434 /nfs/dbraw/zinc/27/34/34/646273434.db2.gz AECDYUKKSRHAKN-LBPRGKRZSA-N 1 0 393.285 1.746 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc(I)s2)C1 ZINC000903494197 659318527 /nfs/dbraw/zinc/31/85/27/659318527.db2.gz CXJQGAFAGCBVPN-SFYZADRCSA-N 1 0 386.280 1.711 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000918359649 660234403 /nfs/dbraw/zinc/23/44/03/660234403.db2.gz GEIFBKFSVRCLON-HZPDHXFCSA-N 1 0 387.889 1.484 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)Cc2ccsc2Br)C1 ZINC000918962544 660244021 /nfs/dbraw/zinc/24/40/21/660244021.db2.gz LSRCAQFEACFSNA-CYBMUJFWSA-N 1 0 397.360 1.729 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000918963314 660244023 /nfs/dbraw/zinc/24/40/23/660244023.db2.gz SRRSJXHPGKSGOA-KRWDZBQOSA-N 1 0 386.901 1.546 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)C1 ZINC000918974352 660244170 /nfs/dbraw/zinc/24/41/70/660244170.db2.gz ZLHYDWKSUUGDRJ-IQMFZBJNSA-N 1 0 381.564 1.050 20 0 GDADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C1CC1 ZINC000442987012 647168147 /nfs/dbraw/zinc/16/81/47/647168147.db2.gz IZJWCLQRBTUEAP-UHFFFAOYSA-N 1 0 390.303 1.311 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000443030900 647173301 /nfs/dbraw/zinc/17/33/01/647173301.db2.gz ZUSSOYZQRKUSGS-RYUDHWBXSA-N 1 0 389.543 1.965 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000443078875 647178789 /nfs/dbraw/zinc/17/87/89/647178789.db2.gz IFHZWKCOPRDADD-LBPRGKRZSA-N 1 0 383.495 1.729 20 0 GDADRO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)C[C@H](C)CC(F)(F)F)C2 ZINC000920272953 660268244 /nfs/dbraw/zinc/26/82/44/660268244.db2.gz ADCJWGWYFFKLQR-RYPNDVFKSA-N 1 0 386.480 1.974 20 0 GDADRO O=C([C@H]1CC[NH2+]1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000444142676 647243518 /nfs/dbraw/zinc/24/35/18/647243518.db2.gz KTIZGDVIHZIEPX-GFCCVEGCSA-N 1 0 378.281 1.188 20 0 GDADRO COCCN(C(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000445896128 647275617 /nfs/dbraw/zinc/27/56/17/647275617.db2.gz XUFVEFSUOZKAOR-OLZOCXBDSA-N 1 0 388.452 1.215 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446230564 647283321 /nfs/dbraw/zinc/28/33/21/647283321.db2.gz BRUFVMMETFYCNI-BLLLJJGKSA-N 1 0 384.274 1.304 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446415972 647288050 /nfs/dbraw/zinc/28/80/50/647288050.db2.gz LHLQWCPKSAOAJC-CYBMUJFWSA-N 1 0 384.274 1.305 20 0 GDADRO COc1cc(C(=O)NCC[N@H+](C)C2CCCCC2)sc1S(N)(=O)=O ZINC000446969787 647301769 /nfs/dbraw/zinc/30/17/69/647301769.db2.gz QCPQUSNWWMSJFI-UHFFFAOYSA-N 1 0 375.516 1.398 20 0 GDADRO Cn1cc(Br)c(CNC(=O)c2ccnc(OCC[NH+](C)C)c2)n1 ZINC000452761808 647323727 /nfs/dbraw/zinc/32/37/27/647323727.db2.gz CZTJUGAANUYEII-UHFFFAOYSA-N 1 0 382.262 1.448 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453679496 647327106 /nfs/dbraw/zinc/32/71/06/647327106.db2.gz XVAFAWVWCYGVKX-AWEZNQCLSA-N 1 0 392.681 1.470 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)C(=O)Nc1ccc(Br)cc1 ZINC000453801590 647336556 /nfs/dbraw/zinc/33/65/56/647336556.db2.gz ANFHHBAOOMHYSL-AWEZNQCLSA-N 1 0 384.274 1.351 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000453802144 647337096 /nfs/dbraw/zinc/33/70/96/647337096.db2.gz CMRGJGCUDQGUEU-ZDUSSCGKSA-N 1 0 399.289 1.054 20 0 GDADRO Cn1cc(Br)cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1=O ZINC000454923325 647364731 /nfs/dbraw/zinc/36/47/31/647364731.db2.gz ZVKXMNQMOMTGNB-GFCCVEGCSA-N 1 0 387.278 1.116 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2nn(C)cc2Br)C1 ZINC000455366649 647377950 /nfs/dbraw/zinc/37/79/50/647377950.db2.gz CEEOVTGOITWUSM-LBPRGKRZSA-N 1 0 388.310 1.339 20 0 GDADRO CC1([NH+]2CCCC2)CCC(NS(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000921280218 660285562 /nfs/dbraw/zinc/28/55/62/660285562.db2.gz FQPUOCISWJDFTJ-UHFFFAOYSA-N 1 0 378.560 1.280 20 0 GDADRO C[C@H](C(=O)NCc1nn(C)cc1I)[NH+]1[C@H](C)CC[C@H]1C ZINC000456506981 647402993 /nfs/dbraw/zinc/40/29/93/647402993.db2.gz NMQXSQWEXZDHKV-GMTAPVOTSA-N 1 0 390.269 1.902 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000457675817 647423774 /nfs/dbraw/zinc/42/37/74/647423774.db2.gz FBBFNSXZLBMEQX-JKSUJKDBSA-N 1 0 376.567 1.370 20 0 GDADRO Cn1ncc(I)c1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458204996 647438168 /nfs/dbraw/zinc/43/81/68/647438168.db2.gz KRZPSTSFGZMSRW-SNVBAGLBSA-N 1 0 376.242 1.486 20 0 GDADRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cccc1S(N)(=O)=O ZINC000458231772 647438573 /nfs/dbraw/zinc/43/85/73/647438573.db2.gz WIWNLXWDSSDOOL-UHFFFAOYSA-N 1 0 381.523 1.908 20 0 GDADRO CN(C)c1cc[nH+]c(CNS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000921017102 660279957 /nfs/dbraw/zinc/27/99/57/660279957.db2.gz CAEAHVUPJQFNSA-UHFFFAOYSA-N 1 0 383.495 1.171 20 0 GDADRO CCO/C=C/[C@](O)(CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)C(F)(F)F ZINC000921311116 660286024 /nfs/dbraw/zinc/28/60/24/660286024.db2.gz KZBMFNFIXZQIPF-MPCGPATOSA-N 1 0 385.452 1.567 20 0 GDADRO Cc1cc(C(F)(F)F)nn1CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000921310857 660286033 /nfs/dbraw/zinc/28/60/33/660286033.db2.gz DNFMMXXKTDYTLH-AWEZNQCLSA-N 1 0 379.452 1.947 20 0 GDADRO CC(C)N(CC[NH+](C)C)C(=O)NCc1nn(C)cc1I ZINC000459058573 647455743 /nfs/dbraw/zinc/45/57/43/647455743.db2.gz DOYNELLRFQPBPQ-UHFFFAOYSA-N 1 0 393.273 1.506 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459644994 647462283 /nfs/dbraw/zinc/46/22/83/647462283.db2.gz FXKJXBTZQVXAER-DYVFJYSZSA-N 1 0 385.302 1.615 20 0 GDADRO Cc1cc(N2CCC[C@H]([N@H+]3C[C@H](CO)[C@H](O)C3)C2=O)ccc1Br ZINC000459683281 647463373 /nfs/dbraw/zinc/46/33/73/647463373.db2.gz SQGYRBGQEQKCHN-UHOFOFEASA-N 1 0 383.286 1.538 20 0 GDADRO CCCOc1c(Br)cc(C[NH2+]C[C@H](O)Cn2ccnn2)cc1OC ZINC000459688502 647463819 /nfs/dbraw/zinc/46/38/19/647463819.db2.gz CLGQDVGBJKSJAW-ZDUSSCGKSA-N 1 0 399.289 1.989 20 0 GDADRO CCOc1c(Br)cc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1OC ZINC000459697291 647464447 /nfs/dbraw/zinc/46/44/47/647464447.db2.gz MFNKTQIMJRICKS-GFCCVEGCSA-N 1 0 385.262 1.599 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000461046273 647483555 /nfs/dbraw/zinc/48/35/55/647483555.db2.gz RQOKAKMPFWAPJL-CYBMUJFWSA-N 1 0 375.922 1.805 20 0 GDADRO CCCN(CC[NH+](CC)CC)C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000461938716 647503878 /nfs/dbraw/zinc/50/38/78/647503878.db2.gz UEFSQZQHLBWJKX-UHFFFAOYSA-N 1 0 376.567 1.564 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000461965509 647504432 /nfs/dbraw/zinc/50/44/32/647504432.db2.gz NNZWMLWVXYPPAN-QGZVFWFLSA-N 1 0 396.329 1.987 20 0 GDADRO COC(=O)C1(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC1 ZINC000462086689 647507831 /nfs/dbraw/zinc/50/78/31/647507831.db2.gz WABYPNAWCKBMBN-UHFFFAOYSA-N 1 0 390.571 1.611 20 0 GDADRO O=C(CNC(=O)CN1CC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1Br ZINC000462414402 647527480 /nfs/dbraw/zinc/52/74/80/647527480.db2.gz DRVOOZWYOJPWDX-KRWDZBQOSA-N 1 0 395.301 1.189 20 0 GDADRO O=C(c1n[nH]c2ccc(I)cc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462641011 647536237 /nfs/dbraw/zinc/53/62/37/647536237.db2.gz KJNUPOOPANIBMJ-OAHLLOKOSA-N 1 0 396.232 1.993 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000467047415 647626879 /nfs/dbraw/zinc/62/68/79/647626879.db2.gz QCIVHRRCZSWAKK-CMPLNLGQSA-N 1 0 384.274 1.713 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000467783714 647651137 /nfs/dbraw/zinc/65/11/37/647651137.db2.gz KUYTYIIPHABOBY-OAHLLOKOSA-N 1 0 385.555 1.737 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)NCc2ccc(S(C)(=O)=O)s2)CCSC1 ZINC000468668196 647670160 /nfs/dbraw/zinc/67/01/60/647670160.db2.gz QGTIJXZWPZRWQB-AWEZNQCLSA-N 1 0 377.557 1.388 20 0 GDADRO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000468730048 647672356 /nfs/dbraw/zinc/67/23/56/647672356.db2.gz SGFJUIVDHFMTDR-RDJZCZTQSA-N 1 0 375.535 1.096 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc[nH]c(=O)c3Br)C2)CC1 ZINC000468770803 647674592 /nfs/dbraw/zinc/67/45/92/647674592.db2.gz ASHODQRXPUCAIJ-LBPRGKRZSA-N 1 0 383.290 1.402 20 0 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1.493 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000578834278 651818019 /nfs/dbraw/zinc/81/80/19/651818019.db2.gz UBRRXBNTOVMRHY-CHWSQXEVSA-N 1 0 386.279 1.841 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)c1cc(Br)ccc1Cl ZINC000578851400 651819328 /nfs/dbraw/zinc/81/93/28/651819328.db2.gz JUEMSXODVJHJRQ-JTQLQIEISA-N 1 0 383.695 1.759 20 0 GDADRO C[C@@H](CNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)[N@@H+]1CCC[C@H](C)C1 ZINC000578849783 651819448 /nfs/dbraw/zinc/81/94/48/651819448.db2.gz PHTPMPNLRZOBCK-RYUDHWBXSA-N 1 0 386.543 1.856 20 0 GDADRO CS(=O)(=O)N1CCC(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000578880461 651821534 /nfs/dbraw/zinc/82/15/34/651821534.db2.gz GXNRRPONRLLRIZ-UHFFFAOYSA-N 1 0 375.441 1.555 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000578987244 651830077 /nfs/dbraw/zinc/83/00/77/651830077.db2.gz AAHMQBFVTOWSPH-QWRGUYRKSA-N 1 0 394.273 1.815 20 0 GDADRO COC[C@]1(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[NH2+]C1 ZINC000579226264 651842412 /nfs/dbraw/zinc/84/24/12/651842412.db2.gz AWFBZFFPABIPJC-DYVFJYSZSA-N 1 0 382.302 1.770 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)C1 ZINC000579484573 651862574 /nfs/dbraw/zinc/86/25/74/651862574.db2.gz QQLRZSSXZYSWAF-JTQLQIEISA-N 1 0 380.388 1.722 20 0 GDADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(-n2cnnn2)cc1 ZINC000579557532 651867407 /nfs/dbraw/zinc/86/74/07/651867407.db2.gz WXOCNWFEHZSUNW-LBPRGKRZSA-N 1 0 389.257 1.937 20 0 GDADRO COC[C@]1(CNC(=O)c2cc(Br)c(OC)c(OC)c2)CCC[NH2+]1 ZINC000579581815 651868891 /nfs/dbraw/zinc/86/88/91/651868891.db2.gz JFFFWAYEHCEHLC-MRXNPFEDSA-N 1 0 387.274 1.965 20 0 GDADRO CC[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000579813705 651877299 /nfs/dbraw/zinc/87/72/99/651877299.db2.gz PLXKVVPWZVKLQM-UHFFFAOYSA-N 1 0 388.921 1.356 20 0 GDADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000579854520 651881289 /nfs/dbraw/zinc/88/12/89/651881289.db2.gz BTAHORKIAHPYNK-OWCLPIDISA-N 1 0 385.917 1.183 20 0 GDADRO O=C(NCCOc1cccc(Cl)c1Cl)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000579936469 651886363 /nfs/dbraw/zinc/88/63/63/651886363.db2.gz XHOCMXBDFIXJOS-KRWDZBQOSA-N 1 0 386.279 1.700 20 0 GDADRO CSc1ccc(OC[C@H](O)C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000579946854 651887557 /nfs/dbraw/zinc/88/75/57/651887557.db2.gz CHVVYYQNBOBGCR-OAHLLOKOSA-N 1 0 388.555 1.409 20 0 GDADRO O=S(=O)(CCNC[C@@H](O)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000579952593 651888294 /nfs/dbraw/zinc/88/82/94/651888294.db2.gz HMTPPBQOPQHYOQ-CQSZACIVSA-N 1 0 391.331 1.269 20 0 GDADRO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NCC[C@@H]1CC[NH2+]C1 ZINC000579958947 651888879 /nfs/dbraw/zinc/88/88/79/651888879.db2.gz VXWIDKVQFYYYMJ-NSHDSACASA-N 1 0 379.404 1.100 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)c1 ZINC000580073734 651893496 /nfs/dbraw/zinc/89/34/96/651893496.db2.gz QHIQIIAKUWQURQ-NSHDSACASA-N 1 0 377.260 1.218 20 0 GDADRO CN(CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C(=O)c1ccc(Br)o1 ZINC000580070902 651893606 /nfs/dbraw/zinc/89/36/06/651893606.db2.gz AARHBZKBOYQGGQ-INIZCTEOSA-N 1 0 384.274 1.716 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000580795094 651940304 /nfs/dbraw/zinc/94/03/04/651940304.db2.gz FFCHBIIVLKJXTG-RISCZKNCSA-N 1 0 395.301 1.716 20 0 GDADRO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000580890696 651945912 /nfs/dbraw/zinc/94/59/12/651945912.db2.gz PAXXEYRXGRFQLM-CABCVRRESA-N 1 0 378.535 1.242 20 0 GDADRO C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(Br)cc1F ZINC000580941838 651949207 /nfs/dbraw/zinc/94/92/07/651949207.db2.gz BGTDUKNWCVUVEE-SNVBAGLBSA-N 1 0 387.253 1.380 20 0 GDADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCc1ccc(I)s1 ZINC000581006493 651953494 /nfs/dbraw/zinc/95/34/94/651953494.db2.gz BDOLLMZMGGMXSO-GHMZBOCLSA-N 1 0 399.294 1.897 20 0 GDADRO O=C(C[C@H]1COCC[NH2+]1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000581245170 651966808 /nfs/dbraw/zinc/96/68/08/651966808.db2.gz ALUHKTXOSKCFAD-HNNXBMFYSA-N 1 0 383.286 1.950 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCc2cc(Cl)ccc2Br)CC[NH2+]1 ZINC000581488932 651978080 /nfs/dbraw/zinc/97/80/80/651978080.db2.gz FVVAWCNNDFJUJJ-UHFFFAOYSA-N 1 0 388.693 1.929 20 0 GDADRO CC[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)Oc1cccc(Cl)c1 ZINC000581944510 651981261 /nfs/dbraw/zinc/98/12/61/651981261.db2.gz YXRWKHQKGFUUMN-AWEZNQCLSA-N 1 0 388.917 1.780 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000581944347 651981298 /nfs/dbraw/zinc/98/12/98/651981298.db2.gz JLHRTOACDUJQCC-YUMQZZPRSA-N 1 0 387.811 1.489 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000582310451 651988144 /nfs/dbraw/zinc/98/81/44/651988144.db2.gz JAAUUUSERFCWRL-KRWDZBQOSA-N 1 0 386.279 1.296 20 0 GDADRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000582415106 651995000 /nfs/dbraw/zinc/99/50/00/651995000.db2.gz AAUWCPDSUFHBKO-WCQYABFASA-N 1 0 390.274 1.722 20 0 GDADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000582429452 651996041 /nfs/dbraw/zinc/99/60/41/651996041.db2.gz UIWRNBNJBKAKIX-HZPDHXFCSA-N 1 0 389.587 1.133 20 0 GDADRO O=C(NCc1ccc(Br)cc1N1CCOCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000582536350 652002802 /nfs/dbraw/zinc/00/28/02/652002802.db2.gz XJKDSYKMZOIICW-FOLVSLTJSA-N 1 0 395.301 1.303 20 0 GDADRO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1I ZINC000582545879 652003920 /nfs/dbraw/zinc/00/39/20/652003920.db2.gz MHTXSILWPZEAJE-GHMZBOCLSA-N 1 0 394.278 1.971 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582607232 652006374 /nfs/dbraw/zinc/00/63/74/652006374.db2.gz ALWFLQORTQJCJL-AWEZNQCLSA-N 1 0 377.919 1.282 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000582666679 652010119 /nfs/dbraw/zinc/01/01/19/652010119.db2.gz XZFHEBRTCYEEBJ-UHFFFAOYSA-N 1 0 382.313 1.715 20 0 GDADRO O=S1(=O)CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000582960440 652021866 /nfs/dbraw/zinc/02/18/66/652021866.db2.gz SIENRYRACJPGMC-QWHCGFSZSA-N 1 0 381.416 1.860 20 0 GDADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C(=O)N(C)C ZINC000583258343 652031959 /nfs/dbraw/zinc/03/19/59/652031959.db2.gz JQMPRRVQSNZGSK-MWLCHTKSSA-N 1 0 379.682 1.909 20 0 GDADRO C[C@H](C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)[NH+]1CC(C)C1 ZINC000583762178 652047120 /nfs/dbraw/zinc/04/71/20/652047120.db2.gz MOEGQTGZFXZJSD-GFCCVEGCSA-N 1 0 385.452 1.142 20 0 GDADRO CC1(C)COCCN1CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000583929441 652050302 /nfs/dbraw/zinc/05/03/02/652050302.db2.gz JHZQQVLLWKHDPF-OAHLLOKOSA-N 1 0 387.318 1.889 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000584162682 652058015 /nfs/dbraw/zinc/05/80/15/652058015.db2.gz OTUGSBHXCJBDCA-LSDHHAIUSA-N 1 0 380.286 1.619 20 0 GDADRO C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)[C@H](C)[NH3+] ZINC000584471033 652072129 /nfs/dbraw/zinc/07/21/29/652072129.db2.gz UMYXSAOIFUQMHP-WDEREUQCSA-N 1 0 375.441 1.217 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000584593926 652077135 /nfs/dbraw/zinc/07/71/35/652077135.db2.gz PDGLNVCNCLKSKT-VHSXEESVSA-N 1 0 382.408 1.775 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000584822074 652083589 /nfs/dbraw/zinc/08/35/89/652083589.db2.gz HCTGVFXRWGPECF-KBPBESRZSA-N 1 0 383.290 1.537 20 0 GDADRO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000588754821 652100514 /nfs/dbraw/zinc/10/05/14/652100514.db2.gz SRQZBJWKPLBGTE-LBPRGKRZSA-N 1 0 389.905 1.214 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(I)c(F)c1 ZINC000588868853 652103334 /nfs/dbraw/zinc/10/33/34/652103334.db2.gz HBYCGAYJMGWOSB-NSHDSACASA-N 1 0 392.212 1.617 20 0 GDADRO Cn1ncc(I)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000590032626 652124679 /nfs/dbraw/zinc/12/46/79/652124679.db2.gz ZKBNYQKBYODLSD-NSHDSACASA-N 1 0 388.253 1.725 20 0 GDADRO CSc1ncc(Cl)c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000590316635 652127164 /nfs/dbraw/zinc/12/71/64/652127164.db2.gz PQXNTYACMOHQGH-LBPRGKRZSA-N 1 0 385.921 1.524 20 0 GDADRO Cc1ccc(I)c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1 ZINC000590372385 652129591 /nfs/dbraw/zinc/12/95/91/652129591.db2.gz QVJDKYVUYOWQDH-GFCCVEGCSA-N 1 0 388.249 1.786 20 0 GDADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000592207981 652176937 /nfs/dbraw/zinc/17/69/37/652176937.db2.gz LQYQZVPWSWCITM-UTUOFQBUSA-N 1 0 378.252 1.589 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000592395492 652188888 /nfs/dbraw/zinc/18/88/88/652188888.db2.gz CJKZPKZVGUDYMQ-RKDXNWHRSA-N 1 0 379.276 1.640 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc(I)cc1 ZINC000592548952 652193434 /nfs/dbraw/zinc/19/34/34/652193434.db2.gz UTFIWWRDOVFMPN-LBPRGKRZSA-N 1 0 388.205 1.268 20 0 GDADRO CC1(OCC(=O)NCc2ccc(I)c(Cl)c2)C[NH2+]C1 ZINC000592563648 652195492 /nfs/dbraw/zinc/19/54/92/652195492.db2.gz IOYKELLHWKYWJW-UHFFFAOYSA-N 1 0 394.640 1.939 20 0 GDADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050772 652209191 /nfs/dbraw/zinc/20/91/91/652209191.db2.gz 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393.575 1.064 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1OC ZINC000601422730 652579264 /nfs/dbraw/zinc/57/92/64/652579264.db2.gz XSBZBLGAHFANDR-GXFFZTMASA-N 1 0 390.889 1.848 20 0 GDADRO C[N@H+](CCCCNS(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)C1CC1 ZINC000601434584 652581410 /nfs/dbraw/zinc/58/14/10/652581410.db2.gz HEPNXAAXEHWEPB-HNNXBMFYSA-N 1 0 375.535 1.501 20 0 GDADRO COC(=O)[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)[C@@H]1CCC[C@@H](OC)C1 ZINC000601455437 652584331 /nfs/dbraw/zinc/58/43/31/652584331.db2.gz FIEABGQGOKPUGY-BZUAXINKSA-N 1 0 376.519 1.139 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601572629 652594680 /nfs/dbraw/zinc/59/46/80/652594680.db2.gz HIRJOGFYYVBOKB-QWRGUYRKSA-N 1 0 396.241 1.137 20 0 GDADRO CSC1(CNC(=O)NC[C@H](n2cncn2)C(F)(F)F)CC[NH+](C)CC1 ZINC000601609578 652595682 /nfs/dbraw/zinc/59/56/82/652595682.db2.gz OHNKDRKUANNCQQ-NSHDSACASA-N 1 0 380.440 1.508 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)C(=O)NCC2([NH+](C)C)CC2)c1 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653271998 /nfs/dbraw/zinc/27/19/98/653271998.db2.gz AEQGSVHDOFHXKJ-NSHDSACASA-N 1 0 375.903 1.400 20 0 GDADRO Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1)CCC2 ZINC000631946046 653276301 /nfs/dbraw/zinc/27/63/01/653276301.db2.gz QADHICCVLOYWCJ-MRXNPFEDSA-N 1 0 386.587 1.728 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000631951454 653277781 /nfs/dbraw/zinc/27/77/81/653277781.db2.gz HYMZCJMIYNJMGH-SECBINFHSA-N 1 0 380.333 2.000 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631971782 653282141 /nfs/dbraw/zinc/28/21/41/653282141.db2.gz XNASSBCJCWWGIF-DTORHVGOSA-N 1 0 379.251 1.722 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000631970965 653282296 /nfs/dbraw/zinc/28/22/96/653282296.db2.gz CTHCTYBOOADHIB-GASCZTMLSA-N 1 0 387.527 1.353 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1Br ZINC000631972712 653282663 /nfs/dbraw/zinc/28/26/63/653282663.db2.gz IFOLNYZWUJVUJM-PSASIEDQSA-N 1 0 376.276 1.518 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3onc(C4CC4)c3Cl)CC2)C1 ZINC000631975766 653283401 /nfs/dbraw/zinc/28/34/01/653283401.db2.gz KRYVVQJNUUVUHL-CYBMUJFWSA-N 1 0 388.921 1.606 20 0 GDADRO CO[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000632109315 653306644 /nfs/dbraw/zinc/30/66/44/653306644.db2.gz BGSGSWBLTHBWNI-QGZVFWFLSA-N 1 0 389.949 1.584 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC000632214086 653317998 /nfs/dbraw/zinc/31/79/98/653317998.db2.gz RFOCYGXUJOGZOG-LBPRGKRZSA-N 1 0 388.358 1.686 20 0 GDADRO C[NH+](C)[C@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2F)C[C@@H]1O ZINC000632349798 653342734 /nfs/dbraw/zinc/34/27/34/653342734.db2.gz JPSFGTJKWQAVCQ-QWRGUYRKSA-N 1 0 385.230 1.023 20 0 GDADRO C[NH+](C)[C@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)C[C@@H]1O ZINC000632349803 653342803 /nfs/dbraw/zinc/34/28/03/653342803.db2.gz JTLREOPKMCPOLB-UWVGGRQHSA-N 1 0 383.695 1.398 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H]([NH+](C)C)[C@H]3C)c(Cl)cc21 ZINC000632367258 653347279 /nfs/dbraw/zinc/34/72/79/653347279.db2.gz KGGFBDVDHCYODN-ABAIWWIYSA-N 1 0 385.917 1.962 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000632431570 653356999 /nfs/dbraw/zinc/35/69/99/653356999.db2.gz KSPZQTZNBDDNIP-UHFFFAOYSA-N 1 0 390.307 1.419 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000632443366 653359030 /nfs/dbraw/zinc/35/90/30/653359030.db2.gz KDFIULNTIZMJLF-UHFFFAOYSA-N 1 0 385.921 1.273 20 0 GDADRO CN1CC[NH+](CCC(C)(C)NC(=O)COc2ccc(Br)cn2)CC1 ZINC000632531524 653372015 /nfs/dbraw/zinc/37/20/15/653372015.db2.gz JTNHYUNEBHHYJT-UHFFFAOYSA-N 1 0 399.333 1.755 20 0 GDADRO COc1ncc(Br)cc1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632594880 653381062 /nfs/dbraw/zinc/38/10/62/653381062.db2.gz XWNHXRBPDHPWSY-UHFFFAOYSA-N 1 0 392.319 1.758 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000632773721 653411244 /nfs/dbraw/zinc/41/12/44/653411244.db2.gz SXUZGAHZPYTLNU-KRWDZBQOSA-N 1 0 393.285 1.921 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000632899869 653413888 /nfs/dbraw/zinc/41/38/88/653413888.db2.gz WJRJLQYKPPCWSY-GXTWGEPZSA-N 1 0 391.896 1.604 20 0 GDADRO Cn1cc(Br)c(CNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)n1 ZINC000633279765 653435813 /nfs/dbraw/zinc/43/58/13/653435813.db2.gz AIZHCNRZKBSGHF-CQSZACIVSA-N 1 0 378.274 1.869 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)COc1ccc(Br)cn1)CCO2 ZINC000633561345 653455790 /nfs/dbraw/zinc/45/57/90/653455790.db2.gz KGFKYLKLNCZNDQ-UHFFFAOYSA-N 1 0 384.274 1.546 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)COc2ccc(Br)cn2)CCO1 ZINC000633657190 653460170 /nfs/dbraw/zinc/46/01/70/653460170.db2.gz FXVUDMMEOJCZMJ-CQSZACIVSA-N 1 0 386.290 1.792 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634766926 653498610 /nfs/dbraw/zinc/49/86/10/653498610.db2.gz ASASVCYBFWUPFS-DIFFPNOSSA-N 1 0 394.269 1.433 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CNc1ccc(S(C)(=O)=O)cc1)c1ccsc1 ZINC000635239435 653509743 /nfs/dbraw/zinc/50/97/43/653509743.db2.gz FQGKBRTYMCQXLJ-INIZCTEOSA-N 1 0 381.523 1.983 20 0 GDADRO CC[NH+](CC)CC1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000635448877 653517589 /nfs/dbraw/zinc/51/75/89/653517589.db2.gz YYBVRTSAENTVSM-KBPBESRZSA-N 1 0 384.464 1.790 20 0 GDADRO COC[C@]1(C(=O)NCC(=O)Nc2ccc(Br)cc2)CCCC[NH2+]1 ZINC000637935002 653532304 /nfs/dbraw/zinc/53/23/04/653532304.db2.gz GSTKJVLNMYDJNA-INIZCTEOSA-N 1 0 384.274 1.663 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000637921479 653532328 /nfs/dbraw/zinc/53/23/28/653532328.db2.gz DBQPZCVKHFEYTG-CHWSQXEVSA-N 1 0 379.404 1.245 20 0 GDADRO [NH3+]Cc1ncc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cn1 ZINC000637960657 653533173 /nfs/dbraw/zinc/53/31/73/653533173.db2.gz SGEGIJGMTUDXMS-CQSZACIVSA-N 1 0 377.242 1.912 20 0 GDADRO COc1cc(CNC(=O)c2cnc(C[NH3+])nc2)cc(Br)c1OC ZINC000637968264 653533530 /nfs/dbraw/zinc/53/35/30/653533530.db2.gz DWJVCLGILYZQTB-UHFFFAOYSA-N 1 0 381.230 1.645 20 0 GDADRO NS(=O)(=O)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC000637995118 653534217 /nfs/dbraw/zinc/53/42/17/653534217.db2.gz SHZMUWUNTXNBOP-CYBMUJFWSA-N 1 0 388.331 1.767 20 0 GDADRO COc1cc(Br)c(CNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)cc1OC ZINC000637980663 653534224 /nfs/dbraw/zinc/53/42/24/653534224.db2.gz ZHDAOWMOXMUIDB-MEDUHNTESA-N 1 0 387.274 1.850 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637988950 653534308 /nfs/dbraw/zinc/53/43/08/653534308.db2.gz FSWSJBTVEBPOPF-AWEZNQCLSA-N 1 0 380.286 1.961 20 0 GDADRO C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)CC1CCOCC1 ZINC000638061203 653535374 /nfs/dbraw/zinc/53/53/74/653535374.db2.gz BKFIWDNDWWVRMC-UHFFFAOYSA-N 1 0 377.304 1.955 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C[NH2+]CCO1 ZINC000638077055 653535623 /nfs/dbraw/zinc/53/56/23/653535623.db2.gz PHYIQMWCMVZFEF-SUMWQHHRSA-N 1 0 382.302 1.770 20 0 GDADRO [NH3+]C[C@@]1(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CCCOC1 ZINC000638100377 653536621 /nfs/dbraw/zinc/53/66/21/653536621.db2.gz YWDKPFQNJYABET-YOEHRIQHSA-N 1 0 382.302 1.900 20 0 GDADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638124686 653537293 /nfs/dbraw/zinc/53/72/93/653537293.db2.gz BQUABSNQQCAKFK-UHOFOFEASA-N 1 0 382.302 1.771 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)co1 ZINC000638559116 653539910 /nfs/dbraw/zinc/53/99/10/653539910.db2.gz SIVSEQMDTKSHFK-WDEREUQCSA-N 1 0 383.392 1.129 20 0 GDADRO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638560731 653540047 /nfs/dbraw/zinc/54/00/47/653540047.db2.gz XKJJGWVXDZXDRN-KGYLQXTDSA-N 1 0 385.452 1.079 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000638569863 653540351 /nfs/dbraw/zinc/54/03/51/653540351.db2.gz IYFSFUVKQVRDDT-SOUVJXGZSA-N 1 0 385.555 1.714 20 0 GDADRO CC1(OCC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[NH2+]C1 ZINC000638597013 653541519 /nfs/dbraw/zinc/54/15/19/653541519.db2.gz VXDVKUAHVGFGNF-CYBMUJFWSA-N 1 0 382.258 1.049 20 0 GDADRO [NH3+][C@@H]1CCCCCN(C(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000638816829 653543985 /nfs/dbraw/zinc/54/39/85/653543985.db2.gz VPBWTWYUTCXBFQ-GFCCVEGCSA-N 1 0 379.262 1.768 20 0 GDADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000638828091 653544403 /nfs/dbraw/zinc/54/44/03/653544403.db2.gz QTSZXXSMDLRLFR-QEJZJMRPSA-N 1 0 377.268 1.555 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000639117856 653546722 /nfs/dbraw/zinc/54/67/22/653546722.db2.gz LNNBCVFDKSZLRI-UHFFFAOYSA-N 1 0 387.303 1.863 20 0 GDADRO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639237408 653548163 /nfs/dbraw/zinc/54/81/63/653548163.db2.gz DZPUHGCNQLIJMQ-GXFFZTMASA-N 1 0 393.303 1.068 20 0 GDADRO CN1CC[C@H]([NH2+]C[C@H](O)Cn2ccnn2)C[C@@H]1c1ccc(Br)cc1 ZINC000639258060 653548518 /nfs/dbraw/zinc/54/85/18/653548518.db2.gz YKSCUWYHSDBBQB-YESZJQIVSA-N 1 0 394.317 1.827 20 0 GDADRO CN(Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@H]1CCC[N@@H+]1C ZINC000639290970 653549286 /nfs/dbraw/zinc/54/92/86/653549286.db2.gz GWNWJRCPIRTSOF-GFCCVEGCSA-N 1 0 376.320 1.623 20 0 GDADRO COc1nsc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1Br ZINC000639328808 653550090 /nfs/dbraw/zinc/55/00/90/653550090.db2.gz ACQZMTYYMHVWQI-LLVKDONJSA-N 1 0 376.320 1.945 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000639760934 653552734 /nfs/dbraw/zinc/55/27/34/653552734.db2.gz IGTBECHNDKEROA-MRXNPFEDSA-N 1 0 388.281 1.915 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)n1cc(C[C@@H]([NH3+])CO)nn1 ZINC000640925427 653560744 /nfs/dbraw/zinc/56/07/44/653560744.db2.gz KGKVJRAIMYFMRH-SMDDNHRTSA-N 1 0 396.289 1.122 20 0 GDADRO COc1ccc(Cn2cc(CC[C@H](O)C[NH3+])nn2)c(Br)c1OC ZINC000640990434 653562146 /nfs/dbraw/zinc/56/21/46/653562146.db2.gz XVVXFHYGNNVNCN-LBPRGKRZSA-N 1 0 385.262 1.358 20 0 GDADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC000641365704 653566382 /nfs/dbraw/zinc/56/63/82/653566382.db2.gz RFWBKTPVTQTIER-JTQLQIEISA-N 1 0 388.291 1.112 20 0 GDADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)C[C@]1(C)CC1(F)F ZINC000641495447 653569703 /nfs/dbraw/zinc/56/97/03/653569703.db2.gz BHBINBCRYVDQCG-HNNXBMFYSA-N 1 0 377.457 1.877 20 0 GDADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)C[C@@]3(C)CC3(F)F)CC2)CC1 ZINC000641548320 653571307 /nfs/dbraw/zinc/57/13/07/653571307.db2.gz ZGCABOXWMFLHQH-MRXNPFEDSA-N 1 0 379.517 1.854 20 0 GDADRO CC(C)C[C@H](NS(=O)(=O)CCC(C)(F)F)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000641599517 653572351 /nfs/dbraw/zinc/57/23/51/653572351.db2.gz BKZAMERGZMUXSY-KGLIPLIRSA-N 1 0 383.505 1.528 20 0 GDADRO COCC(=O)NC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000642625859 653578767 /nfs/dbraw/zinc/57/87/67/653578767.db2.gz LEWKYXAYDRQFDK-ZDUSSCGKSA-N 1 0 391.295 1.960 20 0 GDADRO O=S1(=O)CC[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2cc(Br)ccc21 ZINC000643538415 653583342 /nfs/dbraw/zinc/58/33/42/653583342.db2.gz JUAHWFHHGHSTAI-GMXVVIOVSA-N 1 0 377.279 1.957 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[NH2+]C1(C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000643593200 653583650 /nfs/dbraw/zinc/58/36/50/653583650.db2.gz KBEMXOBCLQWKIN-ZANVPECISA-N 1 0 394.269 1.690 20 0 GDADRO C[NH+]1CCC(CC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000644090544 653595461 /nfs/dbraw/zinc/59/54/61/653595461.db2.gz SPPGFZABEQQXRZ-UHFFFAOYSA-N 1 0 391.896 1.606 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000644133637 653595968 /nfs/dbraw/zinc/59/59/68/653595968.db2.gz CENQSWFUSZVIII-LBPRGKRZSA-N 1 0 377.901 1.915 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000644133636 653595979 /nfs/dbraw/zinc/59/59/79/653595979.db2.gz CENQSWFUSZVIII-GFCCVEGCSA-N 1 0 377.901 1.915 20 0 GDADRO C[C@@H](C(=O)N(C)C1(C[NH3+])CCC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000644139678 653595989 /nfs/dbraw/zinc/59/59/89/653595989.db2.gz NVTHMJTYKOWMNA-JTQLQIEISA-N 1 0 394.269 1.773 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644302513 653597499 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C[NH+](C)C[C@@H](CO)NC(=O)c1cc(Br)sc1Br ZINC000646208968 653609117 /nfs/dbraw/zinc/60/91/17/653609117.db2.gz PZFHZPJSFWKDJH-LURJTMIESA-N 1 0 386.109 1.925 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000646298781 653609502 /nfs/dbraw/zinc/60/95/02/653609502.db2.gz QCVLDDLMALSPRV-VWYCJHECSA-N 1 0 394.269 1.642 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000646575825 653611151 /nfs/dbraw/zinc/61/11/51/653611151.db2.gz QRSLKNKAHBMQPQ-UHFFFAOYSA-N 1 0 385.917 1.058 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCO1 ZINC000646844812 653614836 /nfs/dbraw/zinc/61/48/36/653614836.db2.gz AYUUZXKTMGXDBS-WBIUFABUSA-N 1 0 386.279 1.921 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CCO1 ZINC000646854104 653615079 /nfs/dbraw/zinc/61/50/79/653615079.db2.gz PUGZHRBKEOYQGK-IINYFYTJSA-N 1 0 397.248 1.962 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CCO1 ZINC000646854277 653615088 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NS(=O)(=O)c1ccc(C[NH2+]CCCn2cc(Br)cn2)c(F)c1 ZINC000647211357 653623356 /nfs/dbraw/zinc/62/33/56/653623356.db2.gz MMHJAIPSOXFGPC-UHFFFAOYSA-N 1 0 391.266 1.612 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CC[NH2+]CC2(C)C)s1 ZINC000647228024 653623554 /nfs/dbraw/zinc/62/35/54/653623554.db2.gz DJIXJIRSXHEMDL-UHFFFAOYSA-N 1 0 387.571 1.825 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000647233603 653623663 /nfs/dbraw/zinc/62/36/63/653623663.db2.gz AOLFOMZFVWSWOA-SKDRFNHKSA-N 1 0 379.276 1.194 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CCO1 ZINC000647235189 653624206 /nfs/dbraw/zinc/62/42/06/653624206.db2.gz RAUOBPSIQHYZCU-RNCFNFMXSA-N 1 0 397.722 1.980 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CCO1 ZINC000647235191 653624269 /nfs/dbraw/zinc/62/42/69/653624269.db2.gz RAUOBPSIQHYZCU-ZANVPECISA-N 1 0 397.722 1.980 20 0 GDADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc21 ZINC000647277923 653625028 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CS(=O)(=O)c1cc(Br)cc(C(=O)NCC2([NH3+])CCC2)c1F ZINC000648108501 653638766 /nfs/dbraw/zinc/63/87/66/653638766.db2.gz BXJDGAHJLMTJDX-UHFFFAOYSA-N 1 0 379.251 1.603 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC000648110504 653639006 /nfs/dbraw/zinc/63/90/06/653639006.db2.gz KVASEPOUIWLOSJ-LLVKDONJSA-N 1 0 389.315 1.999 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC000648122089 653639167 /nfs/dbraw/zinc/63/91/67/653639167.db2.gz JRRWLMFNESMZNY-NEPJUHHUSA-N 1 0 390.303 1.114 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000648122139 653639348 /nfs/dbraw/zinc/63/93/48/653639348.db2.gz MFAQUYOSMDZRTQ-VHSXEESVSA-N 1 0 380.297 1.658 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000648182752 653640661 /nfs/dbraw/zinc/64/06/61/653640661.db2.gz PKJZCUGMYSROBL-CYBMUJFWSA-N 1 0 383.539 1.937 20 0 GDADRO C[C@@H]1[C@H](C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC[N@@H+]1C ZINC000648717924 653653379 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GDADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653084391 653905960 /nfs/dbraw/zinc/90/59/60/653905960.db2.gz DTEBPKQIERLSJS-ZBEGNZNMSA-N 1 0 392.257 1.086 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1nscc1Br ZINC000653137682 653906907 /nfs/dbraw/zinc/90/69/07/653906907.db2.gz NIVATFOTGCLXEO-QMMMGPOBSA-N 1 0 387.225 1.472 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653161621 653907425 /nfs/dbraw/zinc/90/74/25/653907425.db2.gz VDULFLLLCLZCCT-KBPBESRZSA-N 1 0 389.880 1.404 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000653160867 653907587 /nfs/dbraw/zinc/90/75/87/653907587.db2.gz ZFSJLTUTLRZAQD-GFCCVEGCSA-N 1 0 382.262 1.394 20 0 GDADRO O=C(N=c1cc(-c2ccc(Br)s2)[nH][nH]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653346177 653911510 /nfs/dbraw/zinc/91/15/10/653911510.db2.gz LPPMEEALTXYLER-RTHLEPHNSA-N 1 0 383.271 1.497 20 0 GDADRO C[NH+](C)CCN1C(=O)C[C@H](N2CCOc3cccc(Br)c3C2)C1=O ZINC000653473202 653913773 /nfs/dbraw/zinc/91/37/73/653913773.db2.gz TWRMAUJTYKOYNY-AWEZNQCLSA-N 1 0 396.285 1.333 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1nc2ncc(Br)cn2n1 ZINC000654307788 653933460 /nfs/dbraw/zinc/93/34/60/653933460.db2.gz KDBMRSZIAZAUFW-NWDGAFQWSA-N 1 0 379.262 1.634 20 0 GDADRO C[C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Oc1cccc(Br)c1 ZINC000654465550 653937346 /nfs/dbraw/zinc/93/73/46/653937346.db2.gz VOXPKJWCQQWUDR-VHDGCEQUSA-N 1 0 398.301 1.677 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654501020 653939158 /nfs/dbraw/zinc/93/91/58/653939158.db2.gz GNARDDUGMCSOGH-ZIAGYGMSSA-N 1 0 386.543 1.343 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654949256 653952312 /nfs/dbraw/zinc/95/23/12/653952312.db2.gz QJHRWVYQAWAJGT-OLZOCXBDSA-N 1 0 381.274 1.916 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C[C@@H](C)n1cc(Br)cn1 ZINC000655049391 653956065 /nfs/dbraw/zinc/95/60/65/653956065.db2.gz HUUPGVDHTJPXSG-TZMCWYRMSA-N 1 0 375.311 1.806 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C[C@@H]1O ZINC000655096143 653958855 /nfs/dbraw/zinc/95/88/55/653958855.db2.gz DVMMKFSVKUVWLT-GJZGRUSLSA-N 1 0 384.267 1.380 20 0 GDADRO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299977 653964129 /nfs/dbraw/zinc/96/41/29/653964129.db2.gz UYJCAXRMJMUGDJ-WDEREUQCSA-N 1 0 382.233 1.961 20 0 GDADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655300022 653964281 /nfs/dbraw/zinc/96/42/81/653964281.db2.gz VVMMSBJGZDHSQF-UONOGXRCSA-N 1 0 392.297 1.990 20 0 GDADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299927 653964302 /nfs/dbraw/zinc/96/43/02/653964302.db2.gz UEADUVJZBQJPNV-SDDRHHMPSA-N 1 0 386.279 1.389 20 0 GDADRO COc1ccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1S(=O)(=O)NC(C)C ZINC000655507361 653972394 /nfs/dbraw/zinc/97/23/94/653972394.db2.gz QEUFVQUNURYFAO-GFCCVEGCSA-N 1 0 383.392 1.001 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cnc2c1Cl ZINC000655670171 653987865 /nfs/dbraw/zinc/98/78/65/653987865.db2.gz VOQMZQCPHDGWNU-ZIAGYGMSSA-N 1 0 383.905 1.986 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000655926080 653994499 /nfs/dbraw/zinc/99/44/99/653994499.db2.gz HHMFTHABXVHCMW-LLVKDONJSA-N 1 0 387.811 1.693 20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000655951496 653995633 /nfs/dbraw/zinc/99/56/33/653995633.db2.gz WSIKXPNWHQEGKI-CYBMUJFWSA-N 1 0 377.304 1.555 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1Br ZINC000655958039 653996369 /nfs/dbraw/zinc/99/63/69/653996369.db2.gz HTZFAMBHDHFZMI-VIFPVBQESA-N 1 0 384.152 1.402 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000655957492 653996401 /nfs/dbraw/zinc/99/64/01/653996401.db2.gz ACERGDAHOAHOPK-VIFPVBQESA-N 1 0 384.152 1.402 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NCC[N@@H+](C)C3CCCC3)cc2C1 ZINC000656895859 654066842 /nfs/dbraw/zinc/06/68/42/654066842.db2.gz BEBHEOUMQBEITQ-UHFFFAOYSA-N 1 0 385.555 1.805 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)C[C@H](OC)C2CCCC2)C1 ZINC000656925562 654073801 /nfs/dbraw/zinc/07/38/01/654073801.db2.gz WRPRDOQSLYBXJN-ROUUACIJSA-N 1 0 376.563 1.954 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)C1 ZINC000657034196 654104721 /nfs/dbraw/zinc/10/47/21/654104721.db2.gz RBLVAXPQXVXFAY-CYBMUJFWSA-N 1 0 386.539 1.514 20 0 GDADRO CCCS(=O)(=O)NCc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000657091463 654108145 /nfs/dbraw/zinc/10/81/45/654108145.db2.gz NYMLWUBRAKCIBK-CQSZACIVSA-N 1 0 391.559 1.135 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)C1 ZINC000657238119 654146528 /nfs/dbraw/zinc/14/65/28/654146528.db2.gz NLZTVVBDQJRNJR-KFWWJZLASA-N 1 0 386.587 1.862 20 0 GDADRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCCCC1 ZINC000657657468 654153961 /nfs/dbraw/zinc/15/39/61/654153961.db2.gz XMNPIQLQQBJURT-UHFFFAOYSA-N 1 0 394.946 1.825 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000658380344 654187602 /nfs/dbraw/zinc/18/76/02/654187602.db2.gz OXESLGWEXDOOJK-YUMQZZPRSA-N 1 0 385.230 1.575 20 0 GDADRO O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658385323 654188359 /nfs/dbraw/zinc/18/83/59/654188359.db2.gz DCWHRIFGODDVRY-ZDUSSCGKSA-N 1 0 380.436 1.846 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000658390589 654189343 /nfs/dbraw/zinc/18/93/43/654189343.db2.gz MDZCVILOXIHNPB-UHFFFAOYSA-N 1 0 375.878 1.857 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)s1 ZINC000658398440 654189705 /nfs/dbraw/zinc/18/97/05/654189705.db2.gz VAVNHSKBKFBRMZ-UHFFFAOYSA-N 1 0 385.555 1.565 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000658403083 654190415 /nfs/dbraw/zinc/19/04/15/654190415.db2.gz ZEFAZKMAYLUBFV-CQSZACIVSA-N 1 0 386.539 1.660 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000658735100 654204896 /nfs/dbraw/zinc/20/48/96/654204896.db2.gz VBVJTQJTRASLHM-CHWSQXEVSA-N 1 0 382.555 1.749 20 0 GDADRO [NH3+]C1(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)CC2(CCC2)C1 ZINC000659267627 654219781 /nfs/dbraw/zinc/21/97/81/654219781.db2.gz BAOWWNRETVHZQX-UHFFFAOYSA-N 1 0 383.539 1.679 20 0 GDADRO COc1cccc(CC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1Cl ZINC000659311802 654222142 /nfs/dbraw/zinc/22/21/42/654222142.db2.gz PZOMATYLDPNJCO-CYBMUJFWSA-N 1 0 379.810 1.843 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCc2cc(Br)ccc2F)n1 ZINC000659444056 654227259 /nfs/dbraw/zinc/22/72/59/654227259.db2.gz RDQFZIBQGKPVFS-UHFFFAOYSA-N 1 0 398.236 1.584 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000659442336 654227281 /nfs/dbraw/zinc/22/72/81/654227281.db2.gz NFYFNQUQZCARNN-UHFFFAOYSA-N 1 0 381.274 1.910 20 0 GDADRO O=C(NCCNC(=O)c1ccc(Br)cn1)NC[C@H]1CCCC[NH2+]1 ZINC000659506905 654227689 /nfs/dbraw/zinc/22/76/89/654227689.db2.gz DFIOOLHODSVULV-GFCCVEGCSA-N 1 0 384.278 1.015 20 0 GDADRO CC1(C)CN(C(=O)NCC(=O)N2CC[NH2+]CC2)c2cc(Br)ccc21 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CC(C)(C)OC(=O)NC1CC([NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000809702746 655135394 /nfs/dbraw/zinc/13/53/94/655135394.db2.gz XTQHBYDFBZIFDA-URGYJCLVSA-N 1 0 375.535 1.740 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1ccc(Br)cc1F)C1=CC[N@H+](C)CC1 ZINC000809707664 655135710 /nfs/dbraw/zinc/13/57/10/655135710.db2.gz KWUFCCUIEKPNPH-NSHDSACASA-N 1 0 398.276 1.971 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000809743203 655135955 /nfs/dbraw/zinc/13/59/55/655135955.db2.gz MMPQUKVAOSAACE-MWLCHTKSSA-N 1 0 389.827 1.607 20 0 GDADRO CCS(=O)(=O)NC1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000809736410 655136037 /nfs/dbraw/zinc/13/60/37/655136037.db2.gz TVRFXXUOCXWKII-HNNXBMFYSA-N 1 0 375.535 1.790 20 0 GDADRO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)nc1I ZINC000761165762 655136167 /nfs/dbraw/zinc/13/61/67/655136167.db2.gz BYVSTKPJFPXTFB-UWVGGRQHSA-N 1 0 389.237 1.907 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000810058905 655147317 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[NH3+][C@@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1)C1CC1 ZINC000841202960 655313778 /nfs/dbraw/zinc/31/37/78/655313778.db2.gz JRPVJBYAPZOGFD-QMMMGPOBSA-N 1 0 395.179 1.655 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000841204598 655314014 /nfs/dbraw/zinc/31/40/14/655314014.db2.gz YISKRRBBCNEFDW-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000841204596 655314048 /nfs/dbraw/zinc/31/40/48/655314048.db2.gz YHVQRZIJSMDWKN-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cnc1Br ZINC000841241268 655316659 /nfs/dbraw/zinc/31/66/59/655316659.db2.gz ITROJTYTIAVGMH-MRXNPFEDSA-N 1 0 381.274 1.693 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841260605 655318096 /nfs/dbraw/zinc/31/80/96/655318096.db2.gz WOAMZIPOSWDEQC-NEPJUHHUSA-N 1 0 381.274 1.631 20 0 GDADRO CC(C)(C)OC(=O)C1CCC([NH2+]CCS(=O)(=O)N2CCOCC2)CC1 ZINC000768592595 655322756 /nfs/dbraw/zinc/32/27/56/655322756.db2.gz 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O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000841869299 655354442 /nfs/dbraw/zinc/35/44/42/655354442.db2.gz NRSIHXHMHVTEAF-JWRYVHENSA-N 1 0 384.615 1.882 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000841867495 655354478 /nfs/dbraw/zinc/35/44/78/655354478.db2.gz VOHZOVVCRUSCOZ-SNVBAGLBSA-N 1 0 383.392 1.253 20 0 GDADRO COC[C@]1(CNC(=O)NC[C@H](O)c2cccc(Br)c2)CCC[NH2+]1 ZINC000841995655 655355005 /nfs/dbraw/zinc/35/50/05/655355005.db2.gz SUWDUWOGDCLUPK-GOEBONIOSA-N 1 0 386.290 1.550 20 0 GDADRO O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000842182557 655357856 /nfs/dbraw/zinc/35/78/56/655357856.db2.gz GVKCDHMLGYVGAC-BZUAXINKSA-N 1 0 383.583 1.473 20 0 GDADRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000842207725 655358650 /nfs/dbraw/zinc/35/86/50/655358650.db2.gz UICZFRYLLRFVGZ-LLVKDONJSA-N 1 0 389.905 1.944 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCCc2ccc(Br)cc2F)C1 ZINC000842216801 655359232 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CC(C)[C@H]([NH3+])CN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817958064 655362911 /nfs/dbraw/zinc/36/29/11/655362911.db2.gz GVYHOACEXVJBAG-SWLSCSKDSA-N 1 0 377.532 1.046 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000817991086 655363590 /nfs/dbraw/zinc/36/35/90/655363590.db2.gz KLSSURVFEKSPBS-JMSVASOKSA-N 1 0 398.301 1.137 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000817989832 655363612 /nfs/dbraw/zinc/36/36/12/655363612.db2.gz RKWQCVQXNUZSAW-SWLSCSKDSA-N 1 0 398.301 1.281 20 0 GDADRO CN(C[C@H](O)c1ccccc1Br)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000817989833 655363642 /nfs/dbraw/zinc/36/36/42/655363642.db2.gz RKWQCVQXNUZSAW-WFASDCNBSA-N 1 0 398.301 1.281 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000817989704 655363649 /nfs/dbraw/zinc/36/36/49/655363649.db2.gz UBZAIEVFFLVSMY-LSDHHAIUSA-N 1 0 398.301 1.151 20 0 GDADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000817995085 655364094 /nfs/dbraw/zinc/36/40/94/655364094.db2.gz VZOSKXQYZVKQIL-AWEZNQCLSA-N 1 0 398.301 1.281 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C[C@@H]1C[NH3+] ZINC000818009557 655364488 /nfs/dbraw/zinc/36/44/88/655364488.db2.gz VPIRDYDYNGXXLT-MNOVXSKESA-N 1 0 389.315 1.910 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000818009952 655364519 /nfs/dbraw/zinc/36/45/19/655364519.db2.gz FHMRBEWFWDZPRJ-HUUCEWRRSA-N 1 0 384.267 1.941 20 0 GDADRO O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000842479927 655366799 /nfs/dbraw/zinc/36/67/99/655366799.db2.gz JNIOKEBKELAZQF-GXFFZTMASA-N 1 0 398.428 1.353 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842480968 655367028 /nfs/dbraw/zinc/36/70/28/655367028.db2.gz GDCRBZQTGPPZGU-UWVGGRQHSA-N 1 0 386.417 1.386 20 0 GDADRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C(F)F ZINC000842483478 655367596 /nfs/dbraw/zinc/36/75/96/655367596.db2.gz KXBQVCBHGZADJE-SECBINFHSA-N 1 0 375.319 1.448 20 0 GDADRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000818130572 655368009 /nfs/dbraw/zinc/36/80/09/655368009.db2.gz PLVJWIZRECTQKV-HIFRSBDPSA-N 1 0 384.267 1.973 20 0 GDADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000842678697 655370833 /nfs/dbraw/zinc/37/08/33/655370833.db2.gz RTRRIUIQSQKEMY-LLVKDONJSA-N 1 0 379.404 1.808 20 0 GDADRO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1c(Cl)nc2ccc(Br)cn21 ZINC000842687113 655371155 /nfs/dbraw/zinc/37/11/55/655371155.db2.gz RJUFYNFTUBHHIN-VIFPVBQESA-N 1 0 393.694 1.781 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)s1 ZINC000842696212 655371697 /nfs/dbraw/zinc/37/16/97/655371697.db2.gz QGSSFLXJTMDVGI-MRVPVSSYSA-N 1 0 397.316 1.657 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)[C@@H]1CCC[NH2+]C1 ZINC000842696986 655371699 /nfs/dbraw/zinc/37/16/99/655371699.db2.gz JWBXURMQSUQWOW-WDEREUQCSA-N 1 0 382.454 1.349 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000842708681 655372656 /nfs/dbraw/zinc/37/26/56/655372656.db2.gz NYBIJKPJGTYOCM-SECBINFHSA-N 1 0 381.267 1.875 20 0 GDADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842711426 655372807 /nfs/dbraw/zinc/37/28/07/655372807.db2.gz DNQFTGNDWSTEEW-VIFPVBQESA-N 1 0 393.694 1.733 20 0 GDADRO O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1)[C@H]1CCC[NH2+]1 ZINC000842750262 655375247 /nfs/dbraw/zinc/37/52/47/655375247.db2.gz YOTPTHHPGSZVME-GXTWGEPZSA-N 1 0 386.905 1.004 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CCC(C)([NH3+])CC2)s1 ZINC000842776222 655376364 /nfs/dbraw/zinc/37/63/64/655376364.db2.gz ZWEYYSHWZXRISX-UHFFFAOYSA-N 1 0 397.316 1.799 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)NCC2CC[NH2+]CC2)c1 ZINC000818559575 655376334 /nfs/dbraw/zinc/37/63/34/655376334.db2.gz YUDPXIFXTWSBGO-UHFFFAOYSA-N 1 0 375.288 1.582 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000818592006 655376909 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375.516 1.442 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)ccc1Br ZINC000842807411 655378535 /nfs/dbraw/zinc/37/85/35/655378535.db2.gz XZLDOXHYPWZGSW-PRHODGIISA-N 1 0 377.260 1.203 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000842820549 655379402 /nfs/dbraw/zinc/37/94/02/655379402.db2.gz QTUCLOIIPIAZGJ-LBPRGKRZSA-N 1 0 387.889 1.674 20 0 GDADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2sc(C(=O)OC)cc2Br)C1 ZINC000842820937 655379475 /nfs/dbraw/zinc/37/94/75/655379475.db2.gz AOONNAGFSOIPKL-MRVPVSSYSA-N 1 0 397.316 1.670 20 0 GDADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CC1 ZINC000842824638 655379692 /nfs/dbraw/zinc/37/96/92/655379692.db2.gz CRQJKXQDBUOURV-UHFFFAOYSA-N 1 0 375.878 1.532 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c1 ZINC000842836857 655380606 /nfs/dbraw/zinc/38/06/06/655380606.db2.gz HZVXEXMHGFSOKI-NXEZZACHSA-N 1 0 391.287 1.607 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C(F)F ZINC000842862418 655381389 /nfs/dbraw/zinc/38/13/89/655381389.db2.gz NAGRPDWHKRAXJZ-OAHLLOKOSA-N 1 0 394.465 1.447 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2ccc3nc(Cl)sc3c2)CCC[NH2+]1 ZINC000842860109 655381393 /nfs/dbraw/zinc/38/13/93/655381393.db2.gz ZEVOWJJVEXMENE-AWEZNQCLSA-N 1 0 375.903 1.997 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1)C(F)F ZINC000842873150 655381929 /nfs/dbraw/zinc/38/19/29/655381929.db2.gz KOHJLPINMNQJFJ-UHFFFAOYSA-N 1 0 394.465 1.447 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842883326 655382474 /nfs/dbraw/zinc/38/24/74/655382474.db2.gz VXVURUXCXQDOEN-RNFRBKRXSA-N 1 0 381.683 1.764 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000818976391 655382503 /nfs/dbraw/zinc/38/25/03/655382503.db2.gz CGEMXJAHKRKFTM-TZMCWYRMSA-N 1 0 382.404 1.632 20 0 GDADRO CC[C@H]([NH3+])CNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842888229 655382825 /nfs/dbraw/zinc/38/28/25/655382825.db2.gz QQCUJWCTOQZCJY-QMMMGPOBSA-N 1 0 381.683 1.766 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819049318 655383981 /nfs/dbraw/zinc/38/39/81/655383981.db2.gz UCYVYPUIHSZENZ-MRXNPFEDSA-N 1 0 378.897 1.611 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000819056139 655384294 /nfs/dbraw/zinc/38/42/94/655384294.db2.gz ZWVFBPJWAPBDJS-HUUCEWRRSA-N 1 0 376.519 1.161 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C ZINC000819058930 655384458 /nfs/dbraw/zinc/38/44/58/655384458.db2.gz DDBYUZMIJJAHMS-KBPBESRZSA-N 1 0 376.519 1.122 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000819064047 655384597 /nfs/dbraw/zinc/38/45/97/655384597.db2.gz SWVCDJNORVUZQC-ZDUSSCGKSA-N 1 0 398.497 1.480 20 0 GDADRO CCS(=O)(=O)CC[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000819112912 655386090 /nfs/dbraw/zinc/38/60/90/655386090.db2.gz KCTNXQSFFNXFKI-UHFFFAOYSA-N 1 0 394.584 1.490 20 0 GDADRO Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)c3ccccc3Br)C2=O)n(C)n1 ZINC000819120802 655386437 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CS(=O)(=O)CC[NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000819217098 655388204 /nfs/dbraw/zinc/38/82/04/655388204.db2.gz ZUXZPZRUMADGCB-AWEZNQCLSA-N 1 0 378.416 1.831 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@@]12CCCO2 ZINC000819229194 655388363 /nfs/dbraw/zinc/38/83/63/655388363.db2.gz KHAYIFLJNAWIAI-VBQJREDUSA-N 1 0 377.503 1.059 20 0 GDADRO CON(C)C(=O)CC[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000819235483 655388547 /nfs/dbraw/zinc/38/85/47/655388547.db2.gz OACJSZODUDJHPR-CQSZACIVSA-N 1 0 384.274 1.862 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000843112109 655388793 /nfs/dbraw/zinc/38/87/93/655388793.db2.gz PPILYAFYBVGCPU-CQSZACIVSA-N 1 0 395.880 1.859 20 0 GDADRO C[C@@](O)(C[NH2+]C1CC(NS(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000819294845 655389295 /nfs/dbraw/zinc/38/92/95/655389295.db2.gz JWOBFKTWCMDIOA-QIMFLAQGSA-N 1 0 395.294 1.466 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccc(F)cn1)c1ccc(F)cc1Cl ZINC000819295878 655389461 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C[C@H](CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)NS(=O)(=O)c1cccnc1Cl ZINC000843324632 655392661 /nfs/dbraw/zinc/39/26/61/655392661.db2.gz PRGPBCRENZQTGX-FRRDWIJNSA-N 1 0 388.921 1.296 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843334342 655392778 /nfs/dbraw/zinc/39/27/78/655392778.db2.gz LUXLXWUENNVHKO-GFCCVEGCSA-N 1 0 376.910 1.296 20 0 GDADRO CCCN(C(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl)[C@@H]1CC[NH2+]C1 ZINC000843337030 655392933 /nfs/dbraw/zinc/39/29/33/655392933.db2.gz IWFNDWFXTAYDHI-QWHCGFSZSA-N 1 0 388.921 1.392 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000843346836 655393220 /nfs/dbraw/zinc/39/32/20/655393220.db2.gz PRDLALBZCYIUPP-WCQYABFASA-N 1 0 375.441 1.823 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)C1 ZINC000843347318 655393236 /nfs/dbraw/zinc/39/32/36/655393236.db2.gz UCACNEHEKQVQOL-UPJWGTAASA-N 1 0 388.921 1.378 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000843355973 655393631 /nfs/dbraw/zinc/39/36/31/655393631.db2.gz ORXGDJPMRXNKOD-UHFFFAOYSA-N 1 0 375.441 1.462 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NCC2([NH3+])CCC2)ccc1Br ZINC000843454249 655395173 /nfs/dbraw/zinc/39/51/73/655395173.db2.gz PZVNOCOHDUIJJU-UHFFFAOYSA-N 1 0 390.303 1.311 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000843503647 655397142 /nfs/dbraw/zinc/39/71/42/655397142.db2.gz LPEHHJQAUZSJGG-NWDGAFQWSA-N 1 0 389.905 1.217 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(N)nc(Br)c3)CC2)C1 ZINC000820027083 655401548 /nfs/dbraw/zinc/40/15/48/655401548.db2.gz BFAFDXQJAUMLHC-CYBMUJFWSA-N 1 0 382.306 1.278 20 0 GDADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000844305380 655409252 /nfs/dbraw/zinc/40/92/52/655409252.db2.gz ZJGRJFYYTLBKBI-GUYCJALGSA-N 1 0 376.519 1.585 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844555733 655411262 /nfs/dbraw/zinc/41/12/62/655411262.db2.gz GPJVWKYZWBXVKW-UHFFFAOYSA-N 1 0 384.278 1.390 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc2c(Br)cnn2c1 ZINC000820989798 655420170 /nfs/dbraw/zinc/42/01/70/655420170.db2.gz AYKLTIXTMNKQCR-ZDUSSCGKSA-N 1 0 381.274 1.673 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Br)c2nccnc2c1 ZINC000820990238 655420323 /nfs/dbraw/zinc/42/03/23/655420323.db2.gz LQBYTXGUMSCMBD-CYBMUJFWSA-N 1 0 393.285 1.969 20 0 GDADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCn1cnc(Br)n1 ZINC000821390950 655428379 /nfs/dbraw/zinc/42/83/79/655428379.db2.gz GGJHXPKDRLYXGG-JTQLQIEISA-N 1 0 388.291 1.381 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000821410366 655429530 /nfs/dbraw/zinc/42/95/30/655429530.db2.gz LCMRJGAXBNSBKQ-CYBMUJFWSA-N 1 0 385.452 1.623 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000821415225 655429641 /nfs/dbraw/zinc/42/96/41/655429641.db2.gz IPYBATFLVFXCOW-UHFFFAOYSA-N 1 0 385.452 1.623 20 0 GDADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000845958313 655440185 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1.588 20 0 GDADRO CO[C@@H](C[NH3+])Cc1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000823115841 655456788 /nfs/dbraw/zinc/45/67/88/655456788.db2.gz NOSYDIBNBGWQKW-SECBINFHSA-N 1 0 399.192 1.505 20 0 GDADRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000846614473 655457736 /nfs/dbraw/zinc/45/77/36/655457736.db2.gz PBMZCDRUMIFXGH-UHFFFAOYSA-N 1 0 377.869 1.684 20 0 GDADRO Cc1c(Cl)c(C(=O)N(C)CC[NH+]2CCCCC2)sc1S(N)(=O)=O ZINC000846614452 655457741 /nfs/dbraw/zinc/45/77/41/655457741.db2.gz OHBOCWKOXXXSAD-UHFFFAOYSA-N 1 0 379.935 1.915 20 0 GDADRO O=C1COc2cc(-c3nc(N4CC[NH2+]CC4)no3)c(Br)cc2N1 ZINC000823304151 655460094 /nfs/dbraw/zinc/46/00/94/655460094.db2.gz KGDQUZHNFVCXJT-UHFFFAOYSA-N 1 0 380.202 1.240 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000846743642 655460179 /nfs/dbraw/zinc/46/01/79/655460179.db2.gz QUVSRSPMOHGUDR-PWSUYJOCSA-N 1 0 380.495 1.250 20 0 GDADRO C[N@H+](C[C@H]1CCS(=O)(=O)C1)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846808586 655461154 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C[C@H]1C[C@@H](C[NH2+]CCOCCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823882285 655469147 /nfs/dbraw/zinc/46/91/47/655469147.db2.gz LLNPRTQHYCHWFF-GJZGRUSLSA-N 1 0 378.535 1.673 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000824668318 655478771 /nfs/dbraw/zinc/47/87/71/655478771.db2.gz NSWDPSMZUFDRNF-WCQYABFASA-N 1 0 381.274 1.644 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)c2csc(I)n2)n1 ZINC000824779958 655480496 /nfs/dbraw/zinc/48/04/96/655480496.db2.gz ZDKIKPPPAQPKPI-UHFFFAOYSA-N 1 0 391.238 1.758 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1CC[NH2+]CC1(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000825175856 655485119 /nfs/dbraw/zinc/48/51/19/655485119.db2.gz MWNVOSKXNONXTE-AAEUAGOBSA-N 1 0 388.921 1.296 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000825187514 655485272 /nfs/dbraw/zinc/48/52/72/655485272.db2.gz ADCLCMOVUXDSRG-NEPJUHHUSA-N 1 0 389.905 1.122 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1Cl ZINC000825187585 655485427 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GDADRO O=C(N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000826565463 655498913 /nfs/dbraw/zinc/49/89/13/655498913.db2.gz XHCQKLADBVTPHG-AWEZNQCLSA-N 1 0 383.290 1.192 20 0 GDADRO NS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)s1 ZINC000826673811 655500028 /nfs/dbraw/zinc/50/00/28/655500028.db2.gz NXBXPDCGZUCFHO-CQSZACIVSA-N 1 0 385.555 1.851 20 0 GDADRO C[NH+]1CCC(OCC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000826818407 655501495 /nfs/dbraw/zinc/50/14/95/655501495.db2.gz QOQOWPMIOYAMMO-UHFFFAOYSA-N 1 0 383.286 1.590 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCSCc2ccnc(Cl)c2)C1 ZINC000848935958 655502269 /nfs/dbraw/zinc/50/22/69/655502269.db2.gz AKPKCPAFVRSVSX-OKILXGFUSA-N 1 0 384.933 1.541 20 0 GDADRO O=C(NCCC1SCCS1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000826881827 655502638 /nfs/dbraw/zinc/50/26/38/655502638.db2.gz FBYMCPXAXWZJFO-AWEZNQCLSA-N 1 0 387.571 1.058 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000827057231 655504829 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GDADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000827410216 655510741 /nfs/dbraw/zinc/51/07/41/655510741.db2.gz NOXNVWFSXUGZPL-UHFFFAOYSA-N 1 0 384.274 1.877 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)Cc3cc[nH]c(=O)c3Br)CC2)CC1 ZINC000827439933 655511314 /nfs/dbraw/zinc/51/13/14/655511314.db2.gz MFDOAOSUOSZMRO-UHFFFAOYSA-N 1 0 397.317 1.331 20 0 GDADRO C[NH+](C)CCCCNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000827519431 655512489 /nfs/dbraw/zinc/51/24/89/655512489.db2.gz MQYHRAYLKUUYRG-UHFFFAOYSA-N 1 0 378.292 1.168 20 0 GDADRO CCN(CC)C(=[NH2+])NC[C@@H](O)COc1ccc(I)cc1 ZINC000849072677 655517202 /nfs/dbraw/zinc/51/72/02/655517202.db2.gz VUELAZHWJPBVDL-GFCCVEGCSA-N 1 0 391.253 1.897 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000828195270 655519879 /nfs/dbraw/zinc/51/98/79/655519879.db2.gz ADIFKXFSLBUCEM-UHFFFAOYSA-N 1 0 381.274 1.626 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1c(Cl)nc3ccccn31)CCO2 ZINC000828251673 655520100 /nfs/dbraw/zinc/52/01/00/655520100.db2.gz 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CC[C@H]([NH2+]CCN(C)C(=O)OC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000850548778 655558709 /nfs/dbraw/zinc/55/87/09/655558709.db2.gz ZYQAFWMKORKYCI-ZDUSSCGKSA-N 1 0 377.894 1.987 20 0 GDADRO CCN(C(=O)C(=O)Nc1ccc(Br)nc1OC)[C@H]1CC[N@H+](C)C1 ZINC000850584767 655559083 /nfs/dbraw/zinc/55/90/83/655559083.db2.gz SWSWWNHEPMQWFQ-JTQLQIEISA-N 1 0 385.262 1.344 20 0 GDADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000850593197 655559917 /nfs/dbraw/zinc/55/99/17/655559917.db2.gz KKOJEYAXDBYFEC-SECBINFHSA-N 1 0 390.303 1.244 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)nc2OC)C1 ZINC000850681433 655564361 /nfs/dbraw/zinc/56/43/61/655564361.db2.gz AAWKPXWUZAUSNX-SNVBAGLBSA-N 1 0 385.262 1.392 20 0 GDADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC2SCCS2)CC1 ZINC000850695134 655565029 /nfs/dbraw/zinc/56/50/29/655565029.db2.gz DGXWBLJNIYFDHZ-UHFFFAOYSA-N 1 0 383.543 1.401 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)n1 ZINC000850823639 655568909 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375.406 1.994 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000851754058 655593199 /nfs/dbraw/zinc/59/31/99/655593199.db2.gz ZVPLPRBPUADYIP-MRXNPFEDSA-N 1 0 375.406 1.994 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000851836646 655598739 /nfs/dbraw/zinc/59/87/39/655598739.db2.gz WCOBEWPBGCWGHY-WFASDCNBSA-N 1 0 394.430 1.911 20 0 GDADRO C[N@H+](CCn1cnc(Br)n1)CCN1C(=O)c2ccccc2C1=O ZINC000851866633 655601058 /nfs/dbraw/zinc/60/10/58/655601058.db2.gz PTBNULZVNJEJGC-UHFFFAOYSA-N 1 0 378.230 1.269 20 0 GDADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCS(=O)(=O)CC(F)(F)F)C1 ZINC000851981320 655604924 /nfs/dbraw/zinc/60/49/24/655604924.db2.gz VYHKRXGABCNVFL-CYBMUJFWSA-N 1 0 387.468 1.775 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000851998757 655605434 /nfs/dbraw/zinc/60/54/34/655605434.db2.gz BIKKAYNVACUSNA-KBPBESRZSA-N 1 0 384.435 1.071 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C 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/nfs/dbraw/zinc/61/43/33/655614333.db2.gz UUWPVUYDHAXIEI-YPMHNXCESA-N 1 0 376.400 1.531 20 0 GDADRO NS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472215 655616261 /nfs/dbraw/zinc/61/62/61/655616261.db2.gz AKYCEZZQWCQUAP-STQMWFEESA-N 1 0 385.452 1.320 20 0 GDADRO CNC(=O)CCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852532469 655617360 /nfs/dbraw/zinc/61/73/60/655617360.db2.gz KJMHADYGPVZQLT-UHFFFAOYSA-N 1 0 377.230 1.046 20 0 GDADRO CSC[C@@H](O)C[NH+]1CCC(n2nncc2I)CC1 ZINC000852532783 655617452 /nfs/dbraw/zinc/61/74/52/655617452.db2.gz PTNPWKNVIDXHSQ-JTQLQIEISA-N 1 0 382.271 1.244 20 0 GDADRO [NH3+]CCn1cc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)nn1 ZINC000852799619 655622907 /nfs/dbraw/zinc/62/29/07/655622907.db2.gz GLSOTFNRFSJHLR-CQSZACIVSA-N 1 0 380.246 1.213 20 0 GDADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1c(Cl)nc2cc(Cl)ccn21 ZINC000852798953 655622914 /nfs/dbraw/zinc/62/29/14/655622914.db2.gz PTLLAYZPZGEINU-UHFFFAOYSA-N 1 0 381.227 1.421 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)=NO1 ZINC000852802926 655622933 /nfs/dbraw/zinc/62/29/33/655622933.db2.gz WJUBPSCFEVPUNX-LLVKDONJSA-N 1 0 386.861 1.167 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NC2(c3cccc(Br)c3)CCOCC2)=NO1 ZINC000852821246 655623517 /nfs/dbraw/zinc/62/35/17/655623517.db2.gz JDFNAJRHQWHSFQ-CYBMUJFWSA-N 1 0 382.258 1.675 20 0 GDADRO CS(=O)(=O)CCOc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000852828209 655623725 /nfs/dbraw/zinc/62/37/25/655623725.db2.gz VKIQDERJQQAMGI-AWEZNQCLSA-N 1 0 380.388 1.591 20 0 GDADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc2c1OCCO2 ZINC000852832375 655623885 /nfs/dbraw/zinc/62/38/85/655623885.db2.gz LLVJJVZNTVVELB-NSHDSACASA-N 1 0 377.185 1.947 20 0 GDADRO C[C@@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000852853767 655624132 /nfs/dbraw/zinc/62/41/32/655624132.db2.gz QSRATEZDFSWMQV-LDYMZIIASA-N 1 0 394.229 1.780 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(n2nncc2I)CC1 ZINC000852860245 655624276 /nfs/dbraw/zinc/62/42/76/655624276.db2.gz ABTBQVCDALOTKP-UHFFFAOYSA-N 1 0 377.230 1.046 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)c1cnn(-c2ccccc2)c1I ZINC000852873750 655624704 /nfs/dbraw/zinc/62/47/04/655624704.db2.gz BVDHPQROKSQXBG-SNVBAGLBSA-N 1 0 384.221 1.944 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1(Br)Br ZINC000852881833 655625253 /nfs/dbraw/zinc/62/52/53/655625253.db2.gz QOXHHEBLFZJCJW-XPUUQOCRSA-N 1 0 376.039 1.996 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NCc2cc(Cl)ccc2I)=NO1 ZINC000852900609 655625969 /nfs/dbraw/zinc/62/59/69/655625969.db2.gz NHIKHYBYMFUDPM-VIFPVBQESA-N 1 0 393.612 1.664 20 0 GDADRO C[C@]12CCN(C(=O)C3=NO[C@H](C[NH3+])C3)C[C@H]1C2(Br)Br ZINC000852901588 655626118 /nfs/dbraw/zinc/62/61/18/655626118.db2.gz LAIFJMVWLVBOPV-NMLBEHRDSA-N 1 0 395.095 1.445 20 0 GDADRO [NH3+]C1(CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CCCC1 ZINC000852906217 655627259 /nfs/dbraw/zinc/62/72/59/655627259.db2.gz UMBLKGWKVZTZDR-UHFFFAOYSA-N 1 0 380.495 1.299 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCC[C@H](C[NH3+])C1)C2 ZINC000852925586 655628548 /nfs/dbraw/zinc/62/85/48/655628548.db2.gz LIEJMCHQZMLWLK-GFCCVEGCSA-N 1 0 380.286 1.797 20 0 GDADRO O=C([C@H]1CSCCS1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852931131 655628663 /nfs/dbraw/zinc/62/86/63/655628663.db2.gz UOSYTAVTSSIXSV-DZGCQCFKSA-N 1 0 381.571 1.374 20 0 GDADRO CN1CC[C@@H](C(=O)O[C@@H](C[NH+](C)C)c2cc(F)c(F)c(F)c2)S1(=O)=O ZINC000853216128 655636731 /nfs/dbraw/zinc/63/67/31/655636731.db2.gz YPCHFTAHLMBUGP-STQMWFEESA-N 1 0 380.388 1.284 20 0 GDADRO C[C@@]1(NC(=O)C(=O)Nc2cc3ccccc3nc2Br)CC[NH2+]C1 ZINC000853337479 655638516 /nfs/dbraw/zinc/63/85/16/655638516.db2.gz KGMOXQJCGAAXRF-MRXNPFEDSA-N 1 0 377.242 1.804 20 0 GDADRO CCCNC(=O)CSc1nn(CN(C)CC2C[NH+](C)C2)c(=S)s1 ZINC000853554582 655642698 /nfs/dbraw/zinc/64/26/98/655642698.db2.gz BJYOZTYTBFLRPZ-UHFFFAOYSA-N 1 0 375.589 1.743 20 0 GDADRO C[C@@H](O)CNc1cc(N2CC(O)(c3ccc(Br)cc3)C2)ncn1 ZINC000853973394 655654988 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CCN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000855364008 655692635 /nfs/dbraw/zinc/69/26/35/655692635.db2.gz XNBMFHRCIAZYCP-SNVBAGLBSA-N 1 0 390.303 1.263 20 0 GDADRO C[NH+](C)CCOc1ccccc1C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000855575336 655696885 /nfs/dbraw/zinc/69/68/85/655696885.db2.gz LQJBLEGJCVXAIB-UHFFFAOYSA-N 1 0 382.404 1.334 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000856729205 655715388 /nfs/dbraw/zinc/71/53/88/655715388.db2.gz HPYDBRQNSMMXNL-GJZGRUSLSA-N 1 0 375.535 1.790 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CC2(Cl)Cl)CC1 ZINC000856945975 655723026 /nfs/dbraw/zinc/72/30/26/655723026.db2.gz CUVLRFHBECFKRZ-QWHCGFSZSA-N 1 0 377.316 1.518 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000857182998 655730130 /nfs/dbraw/zinc/73/01/30/655730130.db2.gz AMDLBOKOBWAEQS-CYBMUJFWSA-N 1 0 380.233 1.958 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000857721931 655740209 /nfs/dbraw/zinc/74/02/09/655740209.db2.gz YBGZUXNXSCDJEJ-NWDGAFQWSA-N 1 0 399.289 1.111 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000858192194 655745512 /nfs/dbraw/zinc/74/55/12/655745512.db2.gz GPAVIULUQHJNLC-KGLIPLIRSA-N 1 0 399.289 1.515 20 0 GDADRO COc1cc([C@H](C)[NH2+]C[C@@H]2COCCN2C)ccc1S(=O)(=O)C(F)F ZINC000858521317 655749051 /nfs/dbraw/zinc/74/90/51/655749051.db2.gz MKQZROHUAUAIMQ-WCQYABFASA-N 1 0 378.441 1.673 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000858610790 655750058 /nfs/dbraw/zinc/75/00/58/655750058.db2.gz QBXZQMYRAUQGDQ-GWCFXTLKSA-N 1 0 379.404 1.935 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000858610794 655750069 /nfs/dbraw/zinc/75/00/69/655750069.db2.gz QBXZQMYRAUQGDQ-MFKMUULPSA-N 1 0 379.404 1.935 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)cc1Cl ZINC000858612887 655750368 /nfs/dbraw/zinc/75/03/68/655750368.db2.gz PFKCHHUWQVNWCD-JTQLQIEISA-N 1 0 377.850 1.175 20 0 GDADRO CCN(CC[NH3+])S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000858618520 655750708 /nfs/dbraw/zinc/75/07/08/655750708.db2.gz BGEJORRFHFKPOT-UHFFFAOYSA-N 1 0 381.683 1.720 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000858628356 655751177 /nfs/dbraw/zinc/75/11/77/655751177.db2.gz ZZURGONGYGXXFF-UHFFFAOYSA-N 1 0 399.282 1.453 20 0 GDADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000859045935 655760298 /nfs/dbraw/zinc/76/02/98/655760298.db2.gz FKGSBNXBVLYROW-NSHDSACASA-N 1 0 379.404 1.808 20 0 GDADRO C[C@]1(Br)C[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000859203094 655769311 /nfs/dbraw/zinc/76/93/11/655769311.db2.gz ZIAXMZAVTMKATL-YOEHRIQHSA-N 1 0 396.333 1.669 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000860192983 655796250 /nfs/dbraw/zinc/79/62/50/655796250.db2.gz BYFXLPOMDBOSDS-DOMZBBRYSA-N 1 0 380.432 2.000 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000860197264 655796459 /nfs/dbraw/zinc/79/64/59/655796459.db2.gz SJHNHSOPDJTOKR-IUODEOHRSA-N 1 0 380.432 2.000 20 0 GDADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@]1(C)Br ZINC000860384117 655799764 /nfs/dbraw/zinc/79/97/64/655799764.db2.gz RYGBJBIVBMCSJV-MPGHIAIKSA-N 1 0 396.329 1.565 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)OCC12CCC[NH+](CCC1)C2 ZINC000861359477 655820157 /nfs/dbraw/zinc/82/01/57/655820157.db2.gz JMWOWPWQPBDBTI-CQSZACIVSA-N 1 0 378.560 1.467 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861543075 655825547 /nfs/dbraw/zinc/82/55/47/655825547.db2.gz XGWJPNMHXDDEAX-SECBINFHSA-N 1 0 386.246 1.370 20 0 GDADRO O=Cc1ccc(OCC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c(Br)c1 ZINC000861712367 655828803 /nfs/dbraw/zinc/82/88/03/655828803.db2.gz NDHPGMOJBRNLPQ-UONOGXRCSA-N 1 0 397.269 1.308 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCC(O)(c2scnc2Br)CC1 ZINC000861707626 655828914 /nfs/dbraw/zinc/82/89/14/655828914.db2.gz BEEPKEPWUQWMSV-SECBINFHSA-N 1 0 375.292 1.261 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861745801 655829744 /nfs/dbraw/zinc/82/97/44/655829744.db2.gz XXFVVSFISXJUFA-LLVKDONJSA-N 1 0 386.290 1.312 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000861813625 655831334 /nfs/dbraw/zinc/83/13/34/655831334.db2.gz UBZGOWUQJODXRR-GLQYFDAESA-N 1 0 396.285 1.216 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)C[C@H]21 ZINC000861911225 655833511 /nfs/dbraw/zinc/83/35/11/655833511.db2.gz MVCJQBKCJPKGFL-YABSGUDNSA-N 1 0 377.246 1.057 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)cc(C=O)c1 ZINC000862100640 655838538 /nfs/dbraw/zinc/83/85/38/655838538.db2.gz JEIWZTHBFFREBE-NSHDSACASA-N 1 0 382.258 1.454 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(Br)cc(C=O)c1 ZINC000862189818 655840944 /nfs/dbraw/zinc/84/09/44/655840944.db2.gz ZQZRXQGWZVLNRP-UHFFFAOYSA-N 1 0 384.274 1.354 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000862354549 655844897 /nfs/dbraw/zinc/84/48/97/655844897.db2.gz BAHDGJJHOCHTFE-MCIGGMRASA-N 1 0 383.461 1.301 20 0 GDADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)COC1(C)C ZINC000862368767 655845363 /nfs/dbraw/zinc/84/53/63/655845363.db2.gz MTMFFUZLLOFNAB-ZIAGYGMSSA-N 1 0 376.519 1.773 20 0 GDADRO C[NH+](C)CCCNC(=S)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000863203816 655862622 /nfs/dbraw/zinc/86/26/22/655862622.db2.gz JDYVNJKJCFBAFK-MRXNPFEDSA-N 1 0 385.555 1.290 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2cncc(Br)c2)CC1 ZINC000863546303 655875252 /nfs/dbraw/zinc/87/52/52/655875252.db2.gz AEJQCCNPHLJFII-CABCVRRESA-N 1 0 381.274 1.601 20 0 GDADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000863571298 655875883 /nfs/dbraw/zinc/87/58/83/655875883.db2.gz VCMUKNAHFNFNMX-SJLPKXTDSA-N 1 0 399.329 1.688 20 0 GDADRO CON(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000863586113 655876825 /nfs/dbraw/zinc/87/68/25/655876825.db2.gz AZFGATGXFICNSY-BXKDBHETSA-N 1 0 379.226 1.326 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(I)nn1C ZINC000864081920 655889746 /nfs/dbraw/zinc/88/97/46/655889746.db2.gz MXLFZYPSOVPTMH-OPRDCNLKSA-N 1 0 376.242 1.578 20 0 GDADRO CC[NH+](CC)CCN(C(=S)NCc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 ZINC000865229325 655914903 /nfs/dbraw/zinc/91/49/03/655914903.db2.gz YPHMREJPYWKXDA-OAHLLOKOSA-N 1 0 388.559 1.188 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000865258081 655915512 /nfs/dbraw/zinc/91/55/12/655915512.db2.gz RNIZBZQTKSETBQ-NUEKZKHPSA-N 1 0 388.603 1.328 20 0 GDADRO O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N1[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000865338859 655917426 /nfs/dbraw/zinc/91/74/26/655917426.db2.gz WECPJNNUMDSTLF-CBBWQLFWSA-N 1 0 387.237 1.973 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(CO)c(Br)n2)CC1 ZINC000865508902 655920870 /nfs/dbraw/zinc/92/08/70/655920870.db2.gz TXFNUSHGQMINEJ-UHFFFAOYSA-N 1 0 385.306 1.327 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000865555646 655921821 /nfs/dbraw/zinc/92/18/21/655921821.db2.gz GCHYSUKVWIYXGV-RBSFLKMASA-N 1 0 375.535 1.693 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1Br ZINC000865697404 655924354 /nfs/dbraw/zinc/92/43/54/655924354.db2.gz XDRXBHINGHQABM-LYEQHPFYSA-N 1 0 387.299 1.610 20 0 GDADRO COC(=O)Cn1cc(C[NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)nn1 ZINC000865835305 655928161 /nfs/dbraw/zinc/92/81/61/655928161.db2.gz PTIQKWBENLVTDD-NUEKZKHPSA-N 1 0 377.242 1.642 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000865999788 655932525 /nfs/dbraw/zinc/93/25/25/655932525.db2.gz YBICCNOEEZEYEM-NSHDSACASA-N 1 0 381.420 1.610 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(I)nn1C ZINC000866047273 655933857 /nfs/dbraw/zinc/93/38/57/655933857.db2.gz XTXMQFWRJZVAIU-UWVGGRQHSA-N 1 0 376.242 1.437 20 0 GDADRO C[C@@H](NC(=O)c1cc(I)nn1C)C(C)(C)C[NH+](C)C ZINC000866059626 655933896 /nfs/dbraw/zinc/93/38/96/655933896.db2.gz QHISWFUZXJVQEG-SECBINFHSA-N 1 0 378.258 1.731 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC ZINC000866386819 655939377 /nfs/dbraw/zinc/93/93/77/655939377.db2.gz GMHYONAAWWTIGR-UHFFFAOYSA-N 1 0 376.450 1.631 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000866682357 655954469 /nfs/dbraw/zinc/95/44/69/655954469.db2.gz JSTZOPXLFYPDMI-HOTGVXAUSA-N 1 0 394.607 1.229 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2cc(F)ccc2Br)C1 ZINC000866709188 655955781 /nfs/dbraw/zinc/95/57/81/655955781.db2.gz ISGWXILCYYUBKU-YUELXQCFSA-N 1 0 384.249 1.955 20 0 GDADRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000866732099 655957175 /nfs/dbraw/zinc/95/71/75/655957175.db2.gz HKPKDAWRJNQMFI-UHFFFAOYSA-N 1 0 389.543 1.613 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)Cc2c(Br)cccc2OC)C1 ZINC000866739514 655957779 /nfs/dbraw/zinc/95/77/79/655957779.db2.gz BHBUPYIWQKFLGT-NSHDSACASA-N 1 0 377.304 1.829 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C[C@H]2C)s1 ZINC000866793464 655964357 /nfs/dbraw/zinc/96/43/57/655964357.db2.gz QYKCVXFEKJKWBI-RNFRBKRXSA-N 1 0 383.289 1.407 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCc1ccc(Br)cc1F ZINC000866748242 655958688 /nfs/dbraw/zinc/95/86/88/655958688.db2.gz KGHMDBAPMCPGKF-GFCCVEGCSA-N 1 0 381.267 1.039 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)Cc1c(Br)cccc1OC ZINC000866763379 655960192 /nfs/dbraw/zinc/96/01/92/655960192.db2.gz KPYQXKXMUOVBEF-QWRGUYRKSA-N 1 0 395.294 1.919 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C(F)(F)F ZINC000866765770 655960530 /nfs/dbraw/zinc/96/05/30/655960530.db2.gz BIVJNWUKQDJHCG-QWRGUYRKSA-N 1 0 377.388 1.560 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Br ZINC000866766499 655960669 /nfs/dbraw/zinc/96/06/69/655960669.db2.gz UADVGTFNAQUPHI-NEPJUHHUSA-N 1 0 391.335 1.583 20 0 GDADRO C[C@]1(CS(=O)(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1(Cl)Cl ZINC000866770696 655961365 /nfs/dbraw/zinc/96/13/65/655961365.db2.gz BYIFJRZRIVBURY-VXGBXAGGSA-N 1 0 382.317 1.287 20 0 GDADRO Cn1ncc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1Br ZINC000866776968 655962181 /nfs/dbraw/zinc/96/21/81/655962181.db2.gz MOPHAMBKYQDONA-CHWSQXEVSA-N 1 0 399.314 1.607 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1C(F)(F)F ZINC000866778636 655962563 /nfs/dbraw/zinc/96/25/63/655962563.db2.gz BCASIKRNRWTDAL-HTQZYQBOSA-N 1 0 394.341 1.587 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000866791841 655964047 /nfs/dbraw/zinc/96/40/47/655964047.db2.gz LUZWBJISDGXDGY-WPRPVWTQSA-N 1 0 377.260 1.346 20 0 GDADRO Cn1ncc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1Br ZINC000866798935 655964922 /nfs/dbraw/zinc/96/49/22/655964922.db2.gz LYQUPFAEUNNTBR-NSHDSACASA-N 1 0 381.340 1.827 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000866806194 655965893 /nfs/dbraw/zinc/96/58/93/655965893.db2.gz VGLVHBPEMUXYKC-MAZHCROVSA-N 1 0 385.917 1.601 20 0 GDADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)C1 ZINC000866814187 655966395 /nfs/dbraw/zinc/96/63/95/655966395.db2.gz MQHUVQVWOVNKHJ-QGZVFWFLSA-N 1 0 386.539 1.501 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000866815247 655966531 /nfs/dbraw/zinc/96/65/31/655966531.db2.gz NVTRSSCKZRNBOM-MRXNPFEDSA-N 1 0 390.527 1.929 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000866816035 655966634 /nfs/dbraw/zinc/96/66/34/655966634.db2.gz IIHLAKBMEMVDOT-YUTCNCBUSA-N 1 0 389.836 1.035 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1Br ZINC000866822588 655967151 /nfs/dbraw/zinc/96/71/51/655967151.db2.gz DWKKKVVMIUXJGC-LBPRGKRZSA-N 1 0 391.335 1.822 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866824287 655967330 /nfs/dbraw/zinc/96/73/30/655967330.db2.gz LDQUQAIHQKFIGK-JSGCOSHPSA-N 1 0 387.889 1.822 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(Br)o1 ZINC000866827941 655967695 /nfs/dbraw/zinc/96/76/95/655967695.db2.gz TZYSIUYRLIYPMJ-IUCAKERBSA-N 1 0 393.259 1.344 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000866838669 655968849 /nfs/dbraw/zinc/96/88/49/655968849.db2.gz OHKRVILMBKREJG-CYBMUJFWSA-N 1 0 388.839 1.961 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cnn(C)c2Br)C[C@@H]1C ZINC000866853762 655970559 /nfs/dbraw/zinc/97/05/59/655970559.db2.gz AWKUPYRBPMPVDO-QWRGUYRKSA-N 1 0 379.324 1.676 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cnn(C)c1Br ZINC000866882524 655973307 /nfs/dbraw/zinc/97/33/07/655973307.db2.gz RFJCTHOOPJQAPW-LLVKDONJSA-N 1 0 379.324 1.678 20 0 GDADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=S1(=O)CCCC1 ZINC000866897385 655974933 /nfs/dbraw/zinc/97/49/33/655974933.db2.gz WSPBGQVKSOWALO-KRWDZBQOSA-N 1 0 385.555 1.947 20 0 GDADRO COc1cc(I)ccc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000866921102 655977479 /nfs/dbraw/zinc/97/74/79/655977479.db2.gz KQOGCWPDPRCLCD-AWEZNQCLSA-N 1 0 392.237 1.342 20 0 GDADRO CC[NH+](CC)CCN(C(=O)Cc1cccnc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000866987415 655984478 /nfs/dbraw/zinc/98/44/78/655984478.db2.gz HFFQHPSVFWJOSL-HNNXBMFYSA-N 1 0 387.933 1.635 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cn(C)nc2Br)C1 ZINC000866993177 655985095 /nfs/dbraw/zinc/98/50/95/655985095.db2.gz UGIBWTVFBVQQRC-GFCCVEGCSA-N 1 0 393.351 1.829 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3nc[nH]c3Br)C2)CC1 ZINC000867012464 655987052 /nfs/dbraw/zinc/98/70/52/655987052.db2.gz LWRCKAXADVPACY-LLVKDONJSA-N 1 0 377.308 1.525 20 0 GDADRO Cc1ccc(OS(=O)(=O)CC2([NH+](C)C)CC2)c(I)n1 ZINC000867014763 655987469 /nfs/dbraw/zinc/98/74/69/655987469.db2.gz MEQJHGFWIKESFO-UHFFFAOYSA-N 1 0 396.250 1.797 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CC2(F)F)C[C@@H]1[NH+](C)C ZINC000867019961 655988024 /nfs/dbraw/zinc/98/80/24/655988024.db2.gz CRIFVHHIIGYCOS-FIXISWKDSA-N 1 0 379.473 1.793 20 0 GDADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cnn(C)c1Br ZINC000867109089 655996042 /nfs/dbraw/zinc/99/60/42/655996042.db2.gz GTDORYQJUUXFDA-UHFFFAOYSA-N 1 0 381.340 1.925 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000867063897 655992806 /nfs/dbraw/zinc/99/28/06/655992806.db2.gz FEGWCUUNXHMOID-CYBMUJFWSA-N 1 0 375.535 1.598 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000867092278 655994480 /nfs/dbraw/zinc/99/44/80/655994480.db2.gz AQRPYLRDGKJDDU-UHFFFAOYSA-N 1 0 377.551 1.895 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(F)cc1Cl ZINC000867120283 655998166 /nfs/dbraw/zinc/99/81/66/655998166.db2.gz AYLGRIXTLYWRCY-CYBMUJFWSA-N 1 0 377.913 1.925 20 0 GDADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000867121928 655998354 /nfs/dbraw/zinc/99/83/54/655998354.db2.gz SBPOQFOSGUVPER-AWEZNQCLSA-N 1 0 386.389 1.906 20 0 GDADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000867122551 655998597 /nfs/dbraw/zinc/99/85/97/655998597.db2.gz XCRPZIULWQTPAK-UHFFFAOYSA-N 1 0 378.901 1.569 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cnn(C)c1Br ZINC000867146206 656002084 /nfs/dbraw/zinc/00/20/84/656002084.db2.gz ONWSIBXZYOBQOD-WDEREUQCSA-N 1 0 379.324 1.581 20 0 GDADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cn(C)nc1Br ZINC000867172569 656006685 /nfs/dbraw/zinc/00/66/85/656006685.db2.gz WPRAXMGVWIYXDG-UHFFFAOYSA-N 1 0 381.340 1.925 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000867201263 656012022 /nfs/dbraw/zinc/01/20/22/656012022.db2.gz GKWWYBDZDILFBU-TXEJJXNPSA-N 1 0 389.315 1.781 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000867202785 656012382 /nfs/dbraw/zinc/01/23/82/656012382.db2.gz MLUFPDUHYDKYGF-INIZCTEOSA-N 1 0 393.912 1.069 20 0 GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cnn(C)c1Br ZINC000867270555 656027726 /nfs/dbraw/zinc/02/77/26/656027726.db2.gz RHACWVXHPPZYLN-WDEREUQCSA-N 1 0 377.308 1.430 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000867508767 656073236 /nfs/dbraw/zinc/07/32/36/656073236.db2.gz CWWQOJLIDRRENA-LSDHHAIUSA-N 1 0 381.567 1.850 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867799444 656117970 /nfs/dbraw/zinc/11/79/70/656117970.db2.gz LWFURMIPGKZIRB-BBRMVZONSA-N 1 0 394.313 1.926 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000867817906 656121390 /nfs/dbraw/zinc/12/13/90/656121390.db2.gz WMXLMWVYXFTLJF-UHFFFAOYSA-N 1 0 387.933 1.749 20 0 GDADRO CC(=O)N[C@@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000867968611 656136075 /nfs/dbraw/zinc/13/60/75/656136075.db2.gz FLZBOYYSZFFREJ-JKSUJKDBSA-N 1 0 380.286 1.979 20 0 GDADRO C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C1CC[NH2+]CC1 ZINC000868013054 656137542 /nfs/dbraw/zinc/13/75/42/656137542.db2.gz LPBOOYIUISCDNC-ZDUSSCGKSA-N 1 0 385.555 1.579 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000868283673 656148465 /nfs/dbraw/zinc/14/84/65/656148465.db2.gz DEVQLWZPJUACES-NEPJUHHUSA-N 1 0 382.917 1.780 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)c1 ZINC000868288647 656148919 /nfs/dbraw/zinc/14/89/19/656148919.db2.gz CWHFFSMOGSMXTJ-UHFFFAOYSA-N 1 0 382.258 1.879 20 0 GDADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000868290424 656149296 /nfs/dbraw/zinc/14/92/96/656149296.db2.gz OKCBBRKCKZHTMC-UHFFFAOYSA-N 1 0 387.665 1.918 20 0 GDADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1cccc(I)c1 ZINC000868291878 656149349 /nfs/dbraw/zinc/14/93/49/656149349.db2.gz XJPIUHDSPRKTGU-UHFFFAOYSA-N 1 0 399.232 1.712 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000868304360 656150020 /nfs/dbraw/zinc/15/00/20/656150020.db2.gz IUJZZQBSKCAMDE-HOMQSWHASA-N 1 0 377.242 1.789 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ncc1Br ZINC000868308233 656150408 /nfs/dbraw/zinc/15/04/08/656150408.db2.gz UUYIIXFOXYYBNR-ZSBIGDGJSA-N 1 0 381.274 1.738 20 0 GDADRO O=C(c1cc(Br)cn2ccnc12)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868343754 656151345 /nfs/dbraw/zinc/15/13/45/656151345.db2.gz JIRMKHPXJPMRES-STQMWFEESA-N 1 0 379.258 1.378 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)CCSC1 ZINC000868355338 656151649 /nfs/dbraw/zinc/15/16/49/656151649.db2.gz KIHZZBSMMZBRLC-UONOGXRCSA-N 1 0 382.452 1.276 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000868389182 656153753 /nfs/dbraw/zinc/15/37/53/656153753.db2.gz YAHGOPTURBUXAU-KGLIPLIRSA-N 1 0 384.274 1.203 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1cccc(Br)c1 ZINC000868390463 656153994 /nfs/dbraw/zinc/15/39/94/656153994.db2.gz JYZSHSHLZZGPGM-CQSZACIVSA-N 1 0 398.301 1.593 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868416715 656154847 /nfs/dbraw/zinc/15/48/47/656154847.db2.gz BHHCGYWUFCOELE-HUUCEWRRSA-N 1 0 398.276 1.900 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868422133 656155057 /nfs/dbraw/zinc/15/50/57/656155057.db2.gz QMLLUBHLOCBBPL-NEPJUHHUSA-N 1 0 386.315 1.822 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCn3cc(Br)ccc3=O)CC[C@@H]21 ZINC000868660084 656164324 /nfs/dbraw/zinc/16/43/24/656164324.db2.gz NEBBUAFDTLXWHQ-OCCSQVGLSA-N 1 0 383.290 1.346 20 0 GDADRO Cn1nc(I)cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000868763616 656168349 /nfs/dbraw/zinc/16/83/49/656168349.db2.gz PMKSJOIJYDSLEL-UHFFFAOYSA-N 1 0 388.253 1.771 20 0 GDADRO O=C(NCc1ncc(Br)s1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000868783280 656168867 /nfs/dbraw/zinc/16/88/67/656168867.db2.gz KXRFCHKRAFQBMB-NSHDSACASA-N 1 0 389.319 1.958 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)c2cc(Br)cn3ccnc23)CC[N@H+](C)C1 ZINC000868865336 656172194 /nfs/dbraw/zinc/17/21/94/656172194.db2.gz HCNQJLALBVJZGJ-LLVKDONJSA-N 1 0 395.257 1.274 20 0 GDADRO CCCN(C(=O)c1cc(I)nn1C)[C@@H]1CC[N@H+](C)C1 ZINC000869072852 656178574 /nfs/dbraw/zinc/17/85/74/656178574.db2.gz UILLWAUQWLPMDK-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870885232 656251633 /nfs/dbraw/zinc/25/16/33/656251633.db2.gz DRYQGGCUQSVTJY-JTQLQIEISA-N 1 0 376.404 1.503 20 0 GDADRO [NH3+][C@H](C(=O)N1CCCN(C(=O)C2CC2)CC1)c1cccc(Br)c1 ZINC000870917788 656255425 /nfs/dbraw/zinc/25/54/25/656255425.db2.gz ATMKSNLFFOUASH-HNNXBMFYSA-N 1 0 380.286 1.920 20 0 GDADRO COCC1(C(=O)N[C@H]2COc3cccc(Br)c3C2)CC[NH2+]CC1 ZINC000871008311 656260111 /nfs/dbraw/zinc/26/01/11/656260111.db2.gz RINVJYBSSVZHHU-GFCCVEGCSA-N 1 0 383.286 1.885 20 0 GDADRO [NH3+]CCCCn1cc(C(=O)N[C@H]2COc3cccc(Br)c3C2)nn1 ZINC000871007655 656260161 /nfs/dbraw/zinc/26/01/61/656260161.db2.gz IMDUKHOGOVYWBX-LLVKDONJSA-N 1 0 394.273 1.513 20 0 GDADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1cc(Br)no1 ZINC000871674625 656276233 /nfs/dbraw/zinc/27/62/33/656276233.db2.gz FNECQHPPOYZPFR-UHFFFAOYSA-N 1 0 379.218 1.316 20 0 GDADRO CS(=O)(=O)NCCc1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)s1 ZINC000871794107 656279751 /nfs/dbraw/zinc/27/97/51/656279751.db2.gz MTLKMJCUIUJWSL-YOGCLGLASA-N 1 0 382.511 1.888 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cncc(Br)c1 ZINC000871810522 656281028 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ZINC000876637077 656620506 /nfs/dbraw/zinc/62/05/06/656620506.db2.gz PPXVCVBMYOAOGT-UFBFGSQYSA-N 1 0 384.351 1.875 20 0 GDADRO C[S@@](=O)C1(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)CC[NH2+]CC1 ZINC000876641435 656621161 /nfs/dbraw/zinc/62/11/61/656621161.db2.gz OOCUJCZFEIFVTF-SGANQWHYSA-N 1 0 378.416 1.053 20 0 GDADRO COC[C@@]1(C(=O)NC[C@H](C)Oc2cccc(Br)c2)C[NH2+]CCO1 ZINC000876683839 656623507 /nfs/dbraw/zinc/62/35/07/656623507.db2.gz YBMRVDLIGOQHLG-BLLLJJGKSA-N 1 0 387.274 1.338 20 0 GDADRO COC[C@]1(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C[NH2+]CCO1 ZINC000876764005 656629075 /nfs/dbraw/zinc/62/90/75/656629075.db2.gz RMZJBTGOJQMLQR-DYVFJYSZSA-N 1 0 398.301 1.149 20 0 GDADRO [NH3+]CCN(CCc1ccccc1)C(=O)Cn1ccc(Br)cc1=O ZINC000876843886 656634835 /nfs/dbraw/zinc/63/48/35/656634835.db2.gz SNKMPXPOQRUCDB-UHFFFAOYSA-N 1 0 378.270 1.641 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)CC[C@@H]21 ZINC000876876608 656636528 /nfs/dbraw/zinc/63/65/28/656636528.db2.gz RYTOLQZOXAFXQY-ILXRZTDVSA-N 1 0 375.535 1.693 20 0 GDADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CC1 ZINC000876894570 656637513 /nfs/dbraw/zinc/63/75/13/656637513.db2.gz ULPZTISQSOCABA-CFVMTHIKSA-N 1 0 380.286 1.966 20 0 GDADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)c2sc(C3CC[NH2+]CC3)nc2C)C1 ZINC000876898787 656638149 /nfs/dbraw/zinc/63/81/49/656638149.db2.gz DFGUJMHLXNHEDE-ZDUSSCGKSA-N 1 0 386.543 1.072 20 0 GDADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000876919085 656640228 /nfs/dbraw/zinc/64/02/28/656640228.db2.gz PTGSBPAMLKEYBO-YOEHRIQHSA-N 1 0 398.301 1.356 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H]1CC1(Cl)Cl)N1CCN(c2ccccn2)CC1 ZINC000876937498 656641484 /nfs/dbraw/zinc/64/14/84/656641484.db2.gz WYALBZMUPQCJLG-ZDUSSCGKSA-N 1 0 393.340 1.317 20 0 GDADRO CS(=O)(=O)CC1(CCNC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000876959308 656642330 /nfs/dbraw/zinc/64/23/30/656642330.db2.gz JINIPEYWSAKYMG-JKSUJKDBSA-N 1 0 384.929 1.974 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CCC(=O)N2CCOCC2)cc1Br ZINC000876954433 656642459 /nfs/dbraw/zinc/64/24/59/656642459.db2.gz KXVXEFHCULKQFI-UHFFFAOYSA-N 1 0 385.258 1.574 20 0 GDADRO COC[C@]1(C(=O)N2CCN(c3ccc(Br)cc3)CC2)C[NH2+]CCO1 ZINC000876965321 656643051 /nfs/dbraw/zinc/64/30/51/656643051.db2.gz BPASNQYBNFFVHK-KRWDZBQOSA-N 1 0 398.301 1.103 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000876987118 656644116 /nfs/dbraw/zinc/64/41/16/656644116.db2.gz SMGGHOZVKMFKRA-UHFFFAOYSA-N 1 0 388.555 1.442 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CC(=O)N2CCN(C)CC2)cc1Br ZINC000876985173 656644196 /nfs/dbraw/zinc/64/41/96/656644196.db2.gz VKVJONIILCFASF-UHFFFAOYSA-N 1 0 384.274 1.099 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc1Br ZINC000877008228 656645865 /nfs/dbraw/zinc/64/58/65/656645865.db2.gz HPAUWVCJZYFQFL-UHFFFAOYSA-N 1 0 393.303 1.653 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)c1ccc(I)cc1OC ZINC000877029433 656647762 /nfs/dbraw/zinc/64/77/62/656647762.db2.gz BZZWUTDOVSBHMZ-UHFFFAOYSA-N 1 0 392.237 1.608 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000877039979 656648662 /nfs/dbraw/zinc/64/86/62/656648662.db2.gz STIDDKOWMSUSEU-NSHDSACASA-N 1 0 389.905 1.135 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)c2ccc3ncc(I)n3c2)C[NH2+]1 ZINC000877048774 656649778 /nfs/dbraw/zinc/64/97/78/656649778.db2.gz ABHQUVSENUCKNJ-GXSJLCMTSA-N 1 0 384.221 1.809 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877116634 656654130 /nfs/dbraw/zinc/65/41/30/656654130.db2.gz RSLGFVDADLCATI-CYBMUJFWSA-N 1 0 385.306 1.722 20 0 GDADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1c(C[NH3+])cnn1C ZINC000877131189 656655757 /nfs/dbraw/zinc/65/57/57/656655757.db2.gz WEZSNPFEUOPZIV-CYBMUJFWSA-N 1 0 387.267 1.698 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]([NH3+])C2)ccc1Cl ZINC000877128547 656655871 /nfs/dbraw/zinc/65/58/71/656655871.db2.gz UHLRDGZATOABMJ-ZDUSSCGKSA-N 1 0 389.905 1.865 20 0 GDADRO [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000877190555 656659161 /nfs/dbraw/zinc/65/91/61/656659161.db2.gz KHOWQTRPFYUGCX-XOYHFGRZSA-N 1 0 383.539 1.774 20 0 GDADRO C[C@H](NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)c1nnnn1C1CC1 ZINC000877234681 656660316 /nfs/dbraw/zinc/66/03/16/656660316.db2.gz YYTUPQUETATJJX-BJOHPYRUSA-N 1 0 379.262 1.822 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000877262463 656661927 /nfs/dbraw/zinc/66/19/27/656661927.db2.gz OZVLBZNGPLOQBN-XJNFMUPTSA-N 1 0 392.297 1.462 20 0 GDADRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)Cn2ccc(Br)cc2=O)C1 ZINC000877270499 656662821 /nfs/dbraw/zinc/66/28/21/656662821.db2.gz IFJVYDAWERUOHS-GFCCVEGCSA-N 1 0 376.254 1.775 20 0 GDADRO C[C@]([NH3+])(C(=O)N1CCC2(CCNC2=O)CC1)c1ccc(Br)cc1 ZINC000877295378 656665005 /nfs/dbraw/zinc/66/50/05/656665005.db2.gz NRCBPEIZLGCKJV-MRXNPFEDSA-N 1 0 380.286 1.752 20 0 GDADRO O=C(COc1ccc(Br)cn1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327066 656667268 /nfs/dbraw/zinc/66/72/68/656667268.db2.gz LZSAHIHFJSNKGI-CYBMUJFWSA-N 1 0 384.274 1.498 20 0 GDADRO COc1cc(Br)c(CN2C(=O)N[C@H](C[NH+](C)C)C2=O)cc1OC ZINC000924583329 656668420 /nfs/dbraw/zinc/66/84/20/656668420.db2.gz SIMCFMHRQZVOOP-LLVKDONJSA-N 1 0 386.246 1.448 20 0 GDADRO CCc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877359409 656669603 /nfs/dbraw/zinc/66/96/03/656669603.db2.gz SKUFXUDGAIBSQT-RISCZKNCSA-N 1 0 378.416 1.862 20 0 GDADRO CS(=O)(=O)Nc1cccc(CC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877368267 656671425 /nfs/dbraw/zinc/67/14/25/656671425.db2.gz PTAXCDXCBQRIAN-DGCLKSJQSA-N 1 0 379.404 1.196 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877370928 656671720 /nfs/dbraw/zinc/67/17/20/656671720.db2.gz IQKALOXXKSSQLZ-DGCLKSJQSA-N 1 0 379.404 1.146 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000877377382 656672335 /nfs/dbraw/zinc/67/23/35/656672335.db2.gz JIGHWMIFJIUHPL-WBHUJUFNSA-N 1 0 392.297 1.870 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877399879 656673743 /nfs/dbraw/zinc/67/37/43/656673743.db2.gz VCYSITHTSKYGSP-DYVFJYSZSA-N 1 0 392.253 1.446 20 0 GDADRO CC(C)(C)OC(=O)N1[C@@H](C[NH2+]CC2(S(C)(=O)=O)CCC2)COC1(C)C ZINC000877487316 656676327 /nfs/dbraw/zinc/67/63/27/656676327.db2.gz DDPNHZSTEZNVGL-ZDUSSCGKSA-N 1 0 376.519 1.915 20 0 GDADRO C[NH+](C)C[C@@H]1NC(=O)N(Cc2nc(-c3cccc(Br)c3)no2)C1=O ZINC000924859364 656683226 /nfs/dbraw/zinc/68/32/26/656683226.db2.gz RPXJXNAGYSIZSW-NSHDSACASA-N 1 0 394.229 1.481 20 0 GDADRO CCOC(=O)CSC[C@H]1NC(=O)N(CC2(SC)CC[NH+](C)CC2)C1=O ZINC000924893563 656685644 /nfs/dbraw/zinc/68/56/44/656685644.db2.gz RBXDGCIDUUVWLB-GFCCVEGCSA-N 1 0 389.543 1.031 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764609 656691194 /nfs/dbraw/zinc/69/11/94/656691194.db2.gz GNYCVPWGPMQVMP-GASCZTMLSA-N 1 0 380.286 1.976 20 0 GDADRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000925301753 656704285 /nfs/dbraw/zinc/70/42/85/656704285.db2.gz KTQNKDYEPUJREQ-SGMGOOAPSA-N 1 0 384.274 1.637 20 0 GDADRO CN1C(=O)N(C2CC[NH+](CCO)CC2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000925303057 656704815 /nfs/dbraw/zinc/70/48/15/656704815.db2.gz LCINNNPKGIBOJG-OAHLLOKOSA-N 1 0 396.285 1.841 20 0 GDADRO Cc1nc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)sc1Br ZINC000878197736 656710637 /nfs/dbraw/zinc/71/06/37/656710637.db2.gz GWEWKXWBNZWKRI-GFCCVEGCSA-N 1 0 387.347 1.952 20 0 GDADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925431966 656711840 /nfs/dbraw/zinc/71/18/40/656711840.db2.gz PMDIWXXBHLAOTH-HIFRSBDPSA-N 1 0 384.318 1.912 20 0 GDADRO CC[C@@H](C[C@](C)(O)CC)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000925434857 656711881 /nfs/dbraw/zinc/71/18/81/656711881.db2.gz LBOHFBRRRBNLCM-MAUKXSAKSA-N 1 0 376.563 1.879 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000925787995 656719153 /nfs/dbraw/zinc/71/91/53/656719153.db2.gz FELPJFPCSAQJEJ-GXTWGEPZSA-N 1 0 377.432 1.844 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000925798371 656721765 /nfs/dbraw/zinc/72/17/65/656721765.db2.gz QEEBJCGINOJQOX-HOTGVXAUSA-N 1 0 387.343 1.673 20 0 GDADRO COc1cc(OC)c([C@@H](C)[NH2+]CC[C@H]2CNCCS2(=O)=O)cc1Cl ZINC000925801225 656722271 /nfs/dbraw/zinc/72/22/71/656722271.db2.gz XEQFTQCXORMAEP-NEPJUHHUSA-N 1 0 376.906 1.785 20 0 GDADRO C[NH+]1CCC(NC(=O)CN[C@@H](CCO)c2ccccc2Br)CC1 ZINC000878396646 656723037 /nfs/dbraw/zinc/72/30/37/656723037.db2.gz OGRIYEZGAUEPBC-INIZCTEOSA-N 1 0 384.318 1.673 20 0 GDADRO COc1cc(Br)c(NC(=O)N2CCC[C@@]([NH3+])(CO)C2)cc1OC ZINC000925971839 656728067 /nfs/dbraw/zinc/72/80/67/656728067.db2.gz BARJBOIJKSEKCD-HNNXBMFYSA-N 1 0 388.262 1.784 20 0 GDADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000925968735 656728212 /nfs/dbraw/zinc/72/82/12/656728212.db2.gz LWEZJHKWGUBCTM-AWEZNQCLSA-N 1 0 388.555 1.630 20 0 GDADRO O=C(NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)Nc1cncc(Br)c1 ZINC000926080165 656733996 /nfs/dbraw/zinc/73/39/96/656733996.db2.gz QEXNHNUMLDTFSA-GFCCVEGCSA-N 1 0 383.246 1.651 20 0 GDADRO O=C(NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)Nc1cncc(Br)c1 ZINC000926080166 656734077 /nfs/dbraw/zinc/73/40/77/656734077.db2.gz QEXNHNUMLDTFSA-LBPRGKRZSA-N 1 0 383.246 1.651 20 0 GDADRO O=C(Nc1ccc2nccnc2c1Br)N1CCNCC[NH2+]CC1 ZINC000926114445 656736951 /nfs/dbraw/zinc/73/69/51/656736951.db2.gz AGTHIUODEQSUHD-UHFFFAOYSA-N 1 0 379.262 1.419 20 0 GDADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@H](O)CC2(O)CCCC2)CC1 ZINC000878622644 656737867 /nfs/dbraw/zinc/73/78/67/656737867.db2.gz QXBBUKQZAQJHMZ-DOTOQJQBSA-N 1 0 376.563 1.425 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cc(C)cc(Br)n1)C2 ZINC000926136369 656737997 /nfs/dbraw/zinc/73/79/97/656737997.db2.gz JKXFMGSNXHGVHP-USBNGQNGSA-N 1 0 397.273 1.897 20 0 GDADRO O=C1CC[C@H]([NH+]2CCN(C[C@@H](O)c3ccc(Br)cc3)CC2)CCN1 ZINC000878688186 656741668 /nfs/dbraw/zinc/74/16/68/656741668.db2.gz YEDFRZUMGBLQLG-DLBZAZTESA-N 1 0 396.329 1.769 20 0 GDADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000926285603 656743962 /nfs/dbraw/zinc/74/39/62/656743962.db2.gz SJJIBZSKOBCQLC-GOEBONIOSA-N 1 0 397.313 1.485 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000926298405 656746301 /nfs/dbraw/zinc/74/63/01/656746301.db2.gz OHWGYLQIMZWYRR-JSGCOSHPSA-N 1 0 382.302 1.851 20 0 GDADRO CCON1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000926369904 656750387 /nfs/dbraw/zinc/75/03/87/656750387.db2.gz LFASQRYMJALOKH-UHFFFAOYSA-N 1 0 379.885 1.763 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)CC1 ZINC000926432639 656754662 /nfs/dbraw/zinc/75/46/62/656754662.db2.gz NQFCRAGKUNEFHZ-UHFFFAOYSA-N 1 0 398.276 1.813 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)CC2 ZINC000926438891 656755427 /nfs/dbraw/zinc/75/54/27/656755427.db2.gz CRSQDRPXIWNAJP-JSGCOSHPSA-N 1 0 394.313 1.838 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N(C)CCOCC[NH3+])CC2 ZINC000926440507 656755821 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C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(I)cc1F ZINC000927808720 656840544 /nfs/dbraw/zinc/84/05/44/656840544.db2.gz GYQBRWLYKYVBTQ-RDDDGLTNSA-N 1 0 391.184 1.093 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000927811067 656841133 /nfs/dbraw/zinc/84/11/33/656841133.db2.gz SSQFCIDFAQRJKK-ZWNOBZJWSA-N 1 0 392.257 1.297 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000927841145 656843331 /nfs/dbraw/zinc/84/33/31/656843331.db2.gz OYQCITNKRWCQLV-UHFFFAOYSA-N 1 0 383.290 1.235 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C[C@H]1C(F)(F)F ZINC000927843351 656843883 /nfs/dbraw/zinc/84/38/83/656843883.db2.gz VNUCVDJNGGYZCP-RFZPGFLSSA-N 1 0 376.282 1.448 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000927882561 656849459 /nfs/dbraw/zinc/84/94/59/656849459.db2.gz KNHOUDAVXMOAQP-AWEZNQCLSA-N 1 0 379.766 1.610 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000879993545 656852207 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380.495 1.121 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000928452713 656903974 /nfs/dbraw/zinc/90/39/74/656903974.db2.gz IOYZYCCOASEILN-RNCFNFMXSA-N 1 0 380.297 1.481 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N(CC)[C@H]2CC[N@H+](CC)C2)cs1)C(N)=O ZINC000880673514 656904278 /nfs/dbraw/zinc/90/42/78/656904278.db2.gz VZZKHRKSIORRGR-KBPBESRZSA-N 1 0 384.571 1.984 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1c2c(ccc1Br)OCC2 ZINC000880800767 656908815 /nfs/dbraw/zinc/90/88/15/656908815.db2.gz BWPVABKOMZTPSI-LLVKDONJSA-N 1 0 383.290 1.751 20 0 GDADRO O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000881118186 656919779 /nfs/dbraw/zinc/91/97/79/656919779.db2.gz XLTGEBPSGRUUJA-LBPRGKRZSA-N 1 0 384.527 1.564 20 0 GDADRO C[C@@](O)(Cn1cc(C[C@H]([NH3+])CO)nn1)c1ccc(Br)cc1Cl ZINC000881425396 656936493 /nfs/dbraw/zinc/93/64/93/656936493.db2.gz XAWVABBLJOWGFC-IINYFYTJSA-N 1 0 389.681 1.464 20 0 GDADRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)CC1 ZINC000881795095 656960597 /nfs/dbraw/zinc/96/05/97/656960597.db2.gz AZIDAYWZHOAUOE-XMMPIXPASA-N 1 0 388.559 1.368 20 0 GDADRO CN(C)[S@](C)(=O)=NS(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000881801088 656961758 /nfs/dbraw/zinc/96/17/58/656961758.db2.gz UHGYVANMSSTNSM-HSZRJFAPSA-N 1 0 380.511 1.009 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000929581839 656973500 /nfs/dbraw/zinc/97/35/00/656973500.db2.gz NNFUWWWEWJKRLB-UHFFFAOYSA-N 1 0 394.269 1.533 20 0 GDADRO CON1CC[C@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1=O ZINC000929885942 656989663 /nfs/dbraw/zinc/98/96/63/656989663.db2.gz AKZBZUPJDWBSCF-ZDUSSCGKSA-N 1 0 397.273 1.657 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)C1 ZINC000881953218 657001163 /nfs/dbraw/zinc/00/11/63/657001163.db2.gz OYQKYAHFSMETBX-MYYSRTQBSA-N 1 0 388.559 1.651 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)c2cnn3cccc(Br)c23)CC1 ZINC000930203995 657007500 /nfs/dbraw/zinc/00/75/00/657007500.db2.gz HDCOTFGYYKOTNT-UHFFFAOYSA-N 1 0 394.317 1.854 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000881970697 657008371 /nfs/dbraw/zinc/00/83/71/657008371.db2.gz RONTYGKRXOETSJ-KAEOHJDDSA-N 1 0 388.559 1.697 20 0 GDADRO Brc1nnc2ccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)nn12 ZINC000881995827 657015456 /nfs/dbraw/zinc/01/54/56/657015456.db2.gz YKUUHXKFYVILHE-LLVKDONJSA-N 1 0 381.278 1.800 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000881996752 657016082 /nfs/dbraw/zinc/01/60/82/657016082.db2.gz HLPWFQISORDIPX-CHWSQXEVSA-N 1 0 398.356 1.139 20 0 GDADRO COC(=O)CCc1csc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)n1 ZINC000930438486 657025236 /nfs/dbraw/zinc/02/52/36/657025236.db2.gz BQKZIBQTCAAPGC-CHWSQXEVSA-N 1 0 384.527 1.950 20 0 GDADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000930475239 657029095 /nfs/dbraw/zinc/02/90/95/657029095.db2.gz DQDSDMJEHVBCPH-IPYPFGDCSA-N 1 0 375.535 1.501 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NC2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000930591934 657037007 /nfs/dbraw/zinc/03/70/07/657037007.db2.gz NDKSCSYYPUYNGU-UHFFFAOYSA-N 1 0 383.543 1.399 20 0 GDADRO CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000930663997 657041617 /nfs/dbraw/zinc/04/16/17/657041617.db2.gz AZGNZJKXXHRSAR-BZUAXINKSA-N 1 0 376.563 1.925 20 0 GDADRO C[N@H+](C[C@H](O)c1cccc(Br)c1)CC1CN(S(C)(=O)=O)C1 ZINC000930715291 657044955 /nfs/dbraw/zinc/04/49/55/657044955.db2.gz HCKZTOPVWSVAPT-AWEZNQCLSA-N 1 0 377.304 1.306 20 0 GDADRO O[C@H](C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)C[C@]1(O)CCOC1 ZINC000930901402 657058399 /nfs/dbraw/zinc/05/83/99/657058399.db2.gz LTEVOSOOAWELSY-OFQRWUPVSA-N 1 0 387.274 1.200 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cnn2cccc(Br)c12 ZINC000931187177 657078390 /nfs/dbraw/zinc/07/83/90/657078390.db2.gz QEHWICXRPBAJIH-VXGBXAGGSA-N 1 0 379.258 1.690 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(Br)cnn2c1 ZINC000931187559 657078457 /nfs/dbraw/zinc/07/84/57/657078457.db2.gz 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O=C(NCCCC[NH+]1CCOCC1)c1cc2ncc(Br)cn2n1 ZINC000900220824 659092637 /nfs/dbraw/zinc/09/26/37/659092637.db2.gz FLKZEIFMDJKDHS-UHFFFAOYSA-N 1 0 382.262 1.334 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000900416877 659105980 /nfs/dbraw/zinc/10/59/80/659105980.db2.gz HWFXYXLQXFXASR-CYBMUJFWSA-N 1 0 385.306 1.992 20 0 GDADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000900429709 659106640 /nfs/dbraw/zinc/10/66/40/659106640.db2.gz OBFMBLCKIAMYDS-UHFFFAOYSA-N 1 0 385.555 1.759 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CSc2ccc(S(N)(=O)=O)cc2)C1 ZINC000900426493 659106714 /nfs/dbraw/zinc/10/67/14/659106714.db2.gz CEWWMENCJGPIMV-CQSZACIVSA-N 1 0 385.555 1.663 20 0 GDADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000900675495 659134776 /nfs/dbraw/zinc/13/47/76/659134776.db2.gz SAAKLXINWQFVFT-NVXWUHKLSA-N 1 0 396.329 1.767 20 0 GDADRO C[C@H](CNC(=O)[C@@H](O)c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000900693227 659137368 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O=C([C@@H](O)c1cccc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000900967382 659175256 /nfs/dbraw/zinc/17/52/56/659175256.db2.gz XRTANYQVJJLQJA-CJNGLKHVSA-N 1 0 383.286 1.663 20 0 GDADRO C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000901069461 659185573 /nfs/dbraw/zinc/18/55/73/659185573.db2.gz MVSQEGICZHTVFR-PXAZEXFGSA-N 1 0 391.295 1.696 20 0 GDADRO CS(=O)(=O)c1ccccc1CC[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000901568457 659220985 /nfs/dbraw/zinc/22/09/85/659220985.db2.gz WVDSQHXTWUREAM-MRXNPFEDSA-N 1 0 380.897 1.972 20 0 GDADRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCc4ncc(Br)n4C3)C2=O)cn1 ZINC000901729538 659231186 /nfs/dbraw/zinc/23/11/86/659231186.db2.gz RXEFGCOAPFOQIQ-JQWIXIFHSA-N 1 0 379.262 1.089 20 0 GDADRO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCc4ncc(Br)n4C3)C2=O)cn1 ZINC000901730867 659231737 /nfs/dbraw/zinc/23/17/37/659231737.db2.gz YEWCDTQFYDOXRG-AAEUAGOBSA-N 1 0 393.289 1.479 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903187234 659299574 /nfs/dbraw/zinc/29/95/74/659299574.db2.gz YWCDVDQSOOOAGW-JQWIXIFHSA-N 1 0 378.376 1.283 20 0 GDADRO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000903235194 659310217 /nfs/dbraw/zinc/31/02/17/659310217.db2.gz TXZKDASDINMTPY-QJPTWQEYSA-N 1 0 375.516 1.688 20 0 GDADRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903329295 659313591 /nfs/dbraw/zinc/31/35/91/659313591.db2.gz BIXZBTTWJZKGQU-QWHCGFSZSA-N 1 0 392.543 1.876 20 0 GDADRO CO[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)CCS(=O)(=O)C1 ZINC000903367366 659314849 /nfs/dbraw/zinc/31/48/49/659314849.db2.gz IBXJNHORXSVDHV-XHDPSFHLSA-N 1 0 375.878 1.245 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC000903426728 659315534 /nfs/dbraw/zinc/31/55/34/659315534.db2.gz MBYIUGMQSWXKLT-QWHCGFSZSA-N 1 0 375.897 1.913 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CCCO1 ZINC000903503655 659319907 /nfs/dbraw/zinc/31/99/07/659319907.db2.gz JJBHARSTGRFKSK-NSHDSACASA-N 1 0 388.287 1.669 20 0 GDADRO COc1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1OC ZINC000903512473 659322021 /nfs/dbraw/zinc/32/20/21/659322021.db2.gz WGGRGYIZPHDWSF-MNOVXSKESA-N 1 0 382.404 1.852 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1F ZINC000903513750 659323377 /nfs/dbraw/zinc/32/33/77/659323377.db2.gz WQIKWFWCRBWWEN-LDYMZIIASA-N 1 0 397.266 1.334 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(I)s2)C1 ZINC000903520757 659327358 /nfs/dbraw/zinc/32/73/58/659327358.db2.gz WIQJUWGENQPFCH-JGVFFNPUSA-N 1 0 386.280 1.758 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)c(Br)cc1F ZINC000903530077 659330845 /nfs/dbraw/zinc/33/08/45/659330845.db2.gz OJOZLOSWGRPSGW-RDDDGLTNSA-N 1 0 395.250 1.261 20 0 GDADRO C[C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000903532487 659331602 /nfs/dbraw/zinc/33/16/02/659331602.db2.gz HSTIEWCRZBRUDH-BXUZGUMPSA-N 1 0 377.304 1.460 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCCN2S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000903537546 659332765 /nfs/dbraw/zinc/33/27/65/659332765.db2.gz WIQXANMITCSSNT-SMDDNHRTSA-N 1 0 379.404 1.915 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000903539634 659333260 /nfs/dbraw/zinc/33/32/60/659333260.db2.gz PIOJXWCKPBBDCP-ZJUUUORDSA-N 1 0 393.303 1.600 20 0 GDADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[NH2+]CCC12CCOCC2 ZINC000903550237 659337689 /nfs/dbraw/zinc/33/76/89/659337689.db2.gz XJHPPHGKEANOJS-UHFFFAOYSA-N 1 0 379.404 1.634 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000903554001 659339431 /nfs/dbraw/zinc/33/94/31/659339431.db2.gz GONVLWBUEXFNTN-NSHDSACASA-N 1 0 381.267 1.873 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C[C@H]1CC[NH3+] ZINC000903556035 659339940 /nfs/dbraw/zinc/33/99/40/659339940.db2.gz KRKMTYDRNLYFDL-VXGBXAGGSA-N 1 0 394.946 1.490 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000903554501 659340013 /nfs/dbraw/zinc/34/00/13/659340013.db2.gz SJRTUMOQZMVACB-CYBMUJFWSA-N 1 0 380.919 1.161 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903559355 659340851 /nfs/dbraw/zinc/34/08/51/659340851.db2.gz LOVQMUVBFWKZSF-ZWKOPEQDSA-N 1 0 375.288 1.770 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCCCCCC2CC[NH2+]CC2)c1 ZINC000903561609 659341701 /nfs/dbraw/zinc/34/17/01/659341701.db2.gz LFTAVUMHVJAFIP-UHFFFAOYSA-N 1 0 388.555 1.928 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CCCCC[NH2+]2)c1OC ZINC000903567146 659343881 /nfs/dbraw/zinc/34/38/81/659343881.db2.gz ZGOWIJVITVYJLB-LBPRGKRZSA-N 1 0 389.905 1.519 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCCC[NH2+]2)cc1)C(F)(F)F ZINC000903567082 659344022 /nfs/dbraw/zinc/34/40/22/659344022.db2.gz WAGLNTDFBVRQRZ-LBPRGKRZSA-N 1 0 379.404 1.998 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(C)cc1F ZINC000903572184 659345067 /nfs/dbraw/zinc/34/50/67/659345067.db2.gz GYYNNBCTMJDGBK-MWLCHTKSSA-N 1 0 384.351 1.431 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)c(Br)cc1F ZINC000903571337 659345080 /nfs/dbraw/zinc/34/50/80/659345080.db2.gz YVTUOJLZYMHNMC-ZKCHVHJHSA-N 1 0 395.250 1.390 20 0 GDADRO COC(=O)c1cccc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903578012 659348944 /nfs/dbraw/zinc/34/89/44/659348944.db2.gz APVOSXSCPFCBIH-QWHCGFSZSA-N 1 0 380.388 1.515 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1C(F)(F)F ZINC000903581199 659351837 /nfs/dbraw/zinc/35/18/37/659351837.db2.gz AQGLQCWXAXJHLT-BQBZGAKWSA-N 1 0 380.314 1.339 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000903585521 659354203 /nfs/dbraw/zinc/35/42/03/659354203.db2.gz POCYVELAQXBHGU-QMTHXVAHSA-N 1 0 377.388 1.689 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000903587366 659354999 /nfs/dbraw/zinc/35/49/99/659354999.db2.gz UBEKZWFDNZRGCG-NSHDSACASA-N 1 0 386.417 1.338 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c(Cl)s1 ZINC000903588410 659355520 /nfs/dbraw/zinc/35/55/20/659355520.db2.gz GNMZAWNIYQPFLY-PRHODGIISA-N 1 0 384.932 1.307 20 0 GDADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000903638267 659365922 /nfs/dbraw/zinc/36/59/22/659365922.db2.gz BRGMGYIYQRQCJR-OYLFLEFRSA-N 1 0 390.575 1.879 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903735554 659378247 /nfs/dbraw/zinc/37/82/47/659378247.db2.gz BMBRFPUDIGIVPT-CZUORRHYSA-N 1 0 383.290 1.483 20 0 GDADRO CN(Cc1ccc(F)cc1Cl)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903743678 659378287 /nfs/dbraw/zinc/37/82/87/659378287.db2.gz WZYHKMKUGHYKGW-ZYHUDNBSSA-N 1 0 381.757 1.786 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C[C@H]1CC[NH3+] ZINC000903737251 659378316 /nfs/dbraw/zinc/37/83/16/659378316.db2.gz MHHVJUYHPFDZSE-UKRRQHHQSA-N 1 0 396.329 1.893 20 0 GDADRO CN(C[C@H](O)c1ccccc1Br)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903792337 659380752 /nfs/dbraw/zinc/38/07/52/659380752.db2.gz PXXRKZWANIMTAI-KBPBESRZSA-N 1 0 398.301 1.137 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000903969001 659390771 /nfs/dbraw/zinc/39/07/71/659390771.db2.gz SSCVLMUNBMXCFX-LLVKDONJSA-N 1 0 391.287 1.044 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Br)cc3)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904081281 659394339 /nfs/dbraw/zinc/39/43/39/659394339.db2.gz SFFMZOUAPNFLTG-CYZMBNFOSA-N 1 0 398.282 1.674 20 0 GDADRO Cn1cc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc(Br)c1=O ZINC000904373646 659399907 /nfs/dbraw/zinc/39/99/07/659399907.db2.gz HSAAVQKHWFAGFT-ZIAGYGMSSA-N 1 0 377.242 1.894 20 0 GDADRO C[C@@H]1C[C@@H](c2noc(-c3cc(Br)cn(CC[NH3+])c3=O)n2)CCO1 ZINC000904626139 659404649 /nfs/dbraw/zinc/40/46/49/659404649.db2.gz OVUDRWIKQBOZFJ-ZJUUUORDSA-N 1 0 383.246 1.902 20 0 GDADRO [NH3+]CCn1cc(Br)cc(-c2nc(CCC3CCOCC3)no2)c1=O ZINC000904723383 659407268 /nfs/dbraw/zinc/40/72/68/659407268.db2.gz GJIQTTXOQUMIIU-UHFFFAOYSA-N 1 0 397.273 1.979 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)s1 ZINC000905024312 659417833 /nfs/dbraw/zinc/41/78/33/659417833.db2.gz KLWIHASUUILMSL-HOCLYGCPSA-N 1 0 384.523 1.621 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CCSC(F)(F)F)CCC1 ZINC000905050871 659419262 /nfs/dbraw/zinc/41/92/62/659419262.db2.gz QZGFIHFUBRLUDP-JTQLQIEISA-N 1 0 378.482 1.831 20 0 GDADRO O[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C[C@]1(O)CCOC1 ZINC000905066396 659420280 /nfs/dbraw/zinc/42/02/80/659420280.db2.gz VBQYADPGMWHVBK-MLGOLLRUSA-N 1 0 388.258 1.212 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905082057 659421167 /nfs/dbraw/zinc/42/11/67/659421167.db2.gz RVEUZYCWMNKTCY-CZUORRHYSA-N 1 0 387.274 1.188 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905080556 659421286 /nfs/dbraw/zinc/42/12/86/659421286.db2.gz NCJBHAGQDIEFPR-CQSZACIVSA-N 1 0 387.274 1.188 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905109173 659424806 /nfs/dbraw/zinc/42/48/06/659424806.db2.gz CHQMMNSSOKIHKO-CQSZACIVSA-N 1 0 384.489 1.287 20 0 GDADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000905132210 659426153 /nfs/dbraw/zinc/42/61/53/659426153.db2.gz KQMZTAWJDTVMOE-UIBIWLFHSA-N 1 0 375.531 1.806 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@H](O)CC2(O)CCCCC2)CC1)C(F)(F)F ZINC000905158533 659427602 /nfs/dbraw/zinc/42/76/02/659427602.db2.gz HHCJXDLPRRUXQG-CYBMUJFWSA-N 1 0 388.452 1.336 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)s1 ZINC000905173334 659429274 /nfs/dbraw/zinc/42/92/74/659429274.db2.gz BQCPTNCZLFBAFJ-JKSUJKDBSA-N 1 0 384.523 1.409 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CC2(O)CCCCC2)s1 ZINC000905175916 659429804 /nfs/dbraw/zinc/42/98/04/659429804.db2.gz IUIPZHCDSLXCJV-AWEZNQCLSA-N 1 0 376.544 1.371 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000905200676 659432144 /nfs/dbraw/zinc/43/21/44/659432144.db2.gz HLCZGTVUCJTTDY-MJEQTWJJSA-N 1 0 389.279 1.591 20 0 GDADRO COc1cc(Br)ccc1CCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905209199 659433329 /nfs/dbraw/zinc/43/33/29/659433329.db2.gz POBWYTYOYPPKOY-MRXNPFEDSA-N 1 0 388.302 1.882 20 0 GDADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905230931 659434969 /nfs/dbraw/zinc/43/49/69/659434969.db2.gz HJVXVBWUAIOZKV-MRXNPFEDSA-N 1 0 376.563 1.615 20 0 GDADRO O[C@H](C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1)C1(O)CCOCC1 ZINC000905236029 659435322 /nfs/dbraw/zinc/43/53/22/659435322.db2.gz DEBMKSYWILQYBP-GOEBONIOSA-N 1 0 385.302 1.520 20 0 GDADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)c1 ZINC000905285066 659439689 /nfs/dbraw/zinc/43/96/89/659439689.db2.gz FOIJZAVTDRWSRA-ZBFHGGJFSA-N 1 0 377.890 1.126 20 0 GDADRO O=C1[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)CCCN1c1ccccc1Cl ZINC000905338996 659444067 /nfs/dbraw/zinc/44/40/67/659444067.db2.gz VZQFTAJHUPWIJF-HNNXBMFYSA-N 1 0 385.917 1.754 20 0 GDADRO O=C1[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000905342211 659444473 /nfs/dbraw/zinc/44/44/73/659444473.db2.gz IMBCYMRQPXZJGY-HNNXBMFYSA-N 1 0 389.880 1.503 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCCC3)c(Cl)s1 ZINC000905353987 659446149 /nfs/dbraw/zinc/44/61/49/659446149.db2.gz NZJQVDIOBQLSQK-SNVBAGLBSA-N 1 0 398.959 1.758 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000905360501 659447049 /nfs/dbraw/zinc/44/70/49/659447049.db2.gz BQLWHIOHGVHQMK-CQSZACIVSA-N 1 0 375.897 1.977 20 0 GDADRO O[C@H](C[NH2+]CCc1ccc(I)cc1)C[C@@]1(O)CCOC1 ZINC000905380781 659450146 /nfs/dbraw/zinc/45/01/46/659450146.db2.gz JLGMGNJYKCWYFN-GJZGRUSLSA-N 1 0 391.249 1.326 20 0 GDADRO O=S1(=O)CCC[C@@H]1CC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000905433482 659453529 /nfs/dbraw/zinc/45/35/29/659453529.db2.gz XHJJVWGWTGYKJJ-DZGCQCFKSA-N 1 0 392.315 1.746 20 0 GDADRO O=S(=O)(CC[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1)c1cccc(Br)c1 ZINC000905468620 659456133 /nfs/dbraw/zinc/45/61/33/659456133.db2.gz XLWKZYJANVFVJP-XMQYKBBCSA-N 1 0 392.315 1.477 20 0 GDADRO O[C@H](C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)C[C@]1(O)CCOC1 ZINC000905476958 659456747 /nfs/dbraw/zinc/45/67/47/659456747.db2.gz BOKGYWHWUJXSHK-DLBZAZTESA-N 1 0 396.285 1.627 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000905483051 659457962 /nfs/dbraw/zinc/45/79/62/659457962.db2.gz XGIMGRKDQREOIX-OAHLLOKOSA-N 1 0 376.906 1.231 20 0 GDADRO CN(C[C@H](O)C[NH2+]Cc1cn(C)nc1Br)C(=O)OC(C)(C)C ZINC000905516306 659461320 /nfs/dbraw/zinc/46/13/20/659461320.db2.gz KRRSZQYLDRQIIG-LLVKDONJSA-N 1 0 377.283 1.500 20 0 GDADRO CCN1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1=O ZINC000905548982 659463861 /nfs/dbraw/zinc/46/38/61/659463861.db2.gz DQOOOTBLPNSEPA-DZGCQCFKSA-N 1 0 389.265 1.928 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCS(=O)(=O)C1 ZINC000905550579 659463966 /nfs/dbraw/zinc/46/39/66/659463966.db2.gz AIPGOOUMHAPFQM-IUODEOHRSA-N 1 0 398.308 1.526 20 0 GDADRO CO[C@]1(C[NH2+]C[C@H](O)c2ccc(Br)cc2)CCS(=O)(=O)C1 ZINC000905559821 659465458 /nfs/dbraw/zinc/46/54/58/659465458.db2.gz ZSYOVCQLOKCGAW-KBPBESRZSA-N 1 0 378.288 1.276 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CCOC2CCSCC2)CCC1 ZINC000905706828 659478065 /nfs/dbraw/zinc/47/80/65/659478065.db2.gz VTHPEPVOXYXWBT-HNNXBMFYSA-N 1 0 394.603 1.490 20 0 GDADRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)cn2)CC1 ZINC000905731370 659479496 /nfs/dbraw/zinc/47/94/96/659479496.db2.gz IDVHEWGVKNKKBZ-LBPRGKRZSA-N 1 0 395.718 1.571 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000906068753 659516772 /nfs/dbraw/zinc/51/67/72/659516772.db2.gz XPOAYFSSFMFSKF-HSZRJFAPSA-N 1 0 379.504 1.410 20 0 GDADRO CC(C)[N@H+](C)CCCNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC000906099983 659520689 /nfs/dbraw/zinc/52/06/89/659520689.db2.gz AWPXQBFGRVPWRJ-UHFFFAOYSA-N 1 0 389.543 1.563 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)c1cccn2ncc(Br)c12 ZINC000906214577 659525342 /nfs/dbraw/zinc/52/53/42/659525342.db2.gz HILGZBSGAZBCJR-UHFFFAOYSA-N 1 0 381.274 1.939 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)CC[C@H]1[NH3+] ZINC000906675323 659568501 /nfs/dbraw/zinc/56/85/01/659568501.db2.gz HKSJQQDNSOFJJC-ZYHUDNBSSA-N 1 0 381.889 1.781 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000906709438 659574445 /nfs/dbraw/zinc/57/44/45/659574445.db2.gz YVNMPNAPRBFWCQ-VIFPVBQESA-N 1 0 375.654 1.550 20 0 GDADRO O=C(NC1(C2CC[NH2+]CC2)CC1)C(=O)N1CCc2ccc(Br)cc21 ZINC000906715683 659574847 /nfs/dbraw/zinc/57/48/47/659574847.db2.gz YOZQEGNNIQUULX-UHFFFAOYSA-N 1 0 392.297 1.987 20 0 GDADRO O=C(Nc1ccc2nccnc2c1Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906726372 659576142 /nfs/dbraw/zinc/57/61/42/659576142.db2.gz BCQVUTQMOISBOP-YGOYTEALSA-N 1 0 390.241 1.340 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cnc(Cl)c(Br)c1)C2 ZINC000906757383 659582529 /nfs/dbraw/zinc/58/25/29/659582529.db2.gz VYAFZCDGTIMFEU-XKSSXDPKSA-N 1 0 387.665 1.774 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000906767811 659584097 /nfs/dbraw/zinc/58/40/97/659584097.db2.gz DUEWBWGATYYOBJ-JTQLQIEISA-N 1 0 379.766 1.744 20 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GUZBRIHVIDXDOK-HNNXBMFYSA-N 1 0 382.262 1.072 20 0 GDADRO COc1cccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1OC ZINC000907135089 659676897 /nfs/dbraw/zinc/67/68/97/659676897.db2.gz NTWDHNMMXLAXRS-UKRRQHHQSA-N 1 0 386.539 1.904 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cs1)C(N)=O ZINC000907281459 659718550 /nfs/dbraw/zinc/71/85/50/659718550.db2.gz IWFWJSZMBAFJLA-RISCZKNCSA-N 1 0 382.555 1.808 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C2CN(C)CC[N@H+](C)C2)c1 ZINC000907736611 659818719 /nfs/dbraw/zinc/81/87/19/659818719.db2.gz FWUUFWNWYBCMIU-UHFFFAOYSA-N 1 0 384.318 1.910 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NCCN2CCC(C)(C)C2)s1 ZINC000908083578 659866085 /nfs/dbraw/zinc/86/60/85/659866085.db2.gz TXZPKTOASCNGCS-UHFFFAOYSA-N 1 0 389.543 1.657 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)C1 ZINC000908332533 659898716 /nfs/dbraw/zinc/89/87/16/659898716.db2.gz QDZFXWBWALMFCI-RHSMWYFYSA-N 1 0 398.301 1.671 20 0 GDADRO 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380.286 1.725 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000911559391 660010692 /nfs/dbraw/zinc/01/06/92/660010692.db2.gz DITZGEJITCNXCW-KCPJHIHWSA-N 1 0 396.285 1.203 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)c1nccc2c(Br)cccc21 ZINC000911776142 660018308 /nfs/dbraw/zinc/01/83/08/660018308.db2.gz XFYCNLSNFVEWMJ-UHFFFAOYSA-N 1 0 377.286 1.975 20 0 GDADRO [NH3+]CCn1cc(Br)cc(C(=O)NC[C@H](O)c2ccccc2)c1=O ZINC000911967208 660022600 /nfs/dbraw/zinc/02/26/00/660022600.db2.gz BSERHHWGHXZRDD-AWEZNQCLSA-N 1 0 380.242 1.033 20 0 GDADRO CC(C)(C[NH3+])CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000912003956 660023696 /nfs/dbraw/zinc/02/36/96/660023696.db2.gz BIBJRFXPNXVWJH-UHFFFAOYSA-N 1 0 375.441 1.173 20 0 GDADRO CN(Cc1ccc(Cl)cc1Cl)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC000912016658 660024243 /nfs/dbraw/zinc/02/42/43/660024243.db2.gz MBVAQTHEOXUANS-OSAQELSMSA-N 1 0 391.320 1.975 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 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395.714 1.991 20 0 GDADRO [NH3+]CCn1cc(Br)cc(C(=O)NCc2ccc3c(c2)CCO3)c1=O ZINC000912442719 660037449 /nfs/dbraw/zinc/03/74/49/660037449.db2.gz PKQHROMVOJWPBD-UHFFFAOYSA-N 1 0 392.253 1.434 20 0 GDADRO COC(=O)C[C@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000912454469 660037790 /nfs/dbraw/zinc/03/77/90/660037790.db2.gz MVGBRLDPDXMGBN-WMLDXEAASA-N 1 0 399.285 1.674 20 0 GDADRO [NH3+][C@H](CC(=O)N1CCC[C@@H]1C(=O)NC1CC1)Cc1ccc(Br)cc1 ZINC000912475858 660039521 /nfs/dbraw/zinc/03/95/21/660039521.db2.gz HDZJLXKWTIPIBV-GOEBONIOSA-N 1 0 394.313 1.979 20 0 GDADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000912597036 660043895 /nfs/dbraw/zinc/04/38/95/660043895.db2.gz YMTCPFONTLZNSN-UHFFFAOYSA-N 1 0 399.333 1.805 20 0 GDADRO CN(CC[N@H+](C)CCO)C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000912603086 660043907 /nfs/dbraw/zinc/04/39/07/660043907.db2.gz CBPBXBSTAQMASX-UHFFFAOYSA-N 1 0 382.258 1.699 20 0 GDADRO CN(CC[N@H+](C)CCO)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000912606575 660044222 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C[NH+]1CCN(c2cc(C(=O)NCc3ccnc(Br)c3)ccn2)CC1 ZINC000913079456 660066181 /nfs/dbraw/zinc/06/61/81/660066181.db2.gz CIAXDERGTRJZLC-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 GDADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc4ncc(Br)cn4n3)C[C@]2(C)C1 ZINC000913269653 660074843 /nfs/dbraw/zinc/07/48/43/660074843.db2.gz GTKVWXITCOBLEE-HOTGVXAUSA-N 1 0 378.274 1.906 20 0 GDADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc4ncc(Br)cn4n3)C[C@@]2(C)C1 ZINC000913269655 660074871 /nfs/dbraw/zinc/07/48/71/660074871.db2.gz GTKVWXITCOBLEE-IYBDPMFKSA-N 1 0 378.274 1.906 20 0 GDADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cnn4cc(Br)cnc34)C[C@@]2(C)C1 ZINC000913285575 660075052 /nfs/dbraw/zinc/07/50/52/660075052.db2.gz TWIWYEXBVZBJDN-IYBDPMFKSA-N 1 0 378.274 1.906 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CCC(C)([NH+](C)C)CC2)cs1)C(N)=O ZINC000913387863 660077998 /nfs/dbraw/zinc/07/79/98/660077998.db2.gz WCEMPLMLRAHCJA-CYBMUJFWSA-N 1 0 384.571 1.984 20 0 GDADRO CN(CC(=O)N1CCC(C)([NH+](C)C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000913404889 660078255 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CN(CCCNC(=O)OC(C)(C)C)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914130630 660118653 /nfs/dbraw/zinc/11/86/53/660118653.db2.gz DYOBDOVXVYVLKH-KRWDZBQOSA-N 1 0 375.535 1.649 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)Cc2ccsc2Br)CC1 ZINC000914172831 660123253 /nfs/dbraw/zinc/12/32/53/660123253.db2.gz UZXZEMQUYBSXFY-UHFFFAOYSA-N 1 0 383.333 1.387 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)Cc1ccsc1Br ZINC000914185892 660124940 /nfs/dbraw/zinc/12/49/40/660124940.db2.gz VJQLQXQMVVPCDO-UHFFFAOYSA-N 1 0 385.349 1.898 20 0 GDADRO COC(=O)c1cc(OC)ccc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000914303462 660137515 /nfs/dbraw/zinc/13/75/15/660137515.db2.gz AGEUSESTFLVTPX-ZIAGYGMSSA-N 1 0 388.511 1.148 20 0 GDADRO COC(=O)C1CCC(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)CC1 ZINC000914390477 660145525 /nfs/dbraw/zinc/14/55/25/660145525.db2.gz CTHJCXPHKBDYDD-FJBKBRRZSA-N 1 0 390.571 1.560 20 0 GDADRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)NCc2ncc(Br)cn2)C1 ZINC000914435384 660151359 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C[C@@H]1CC[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)CN1C(=O)OC(C)(C)C ZINC000399185428 677678516 /nfs/dbraw/zinc/67/85/16/677678516.db2.gz NNSDCSXEZBBWKQ-UKRRQHHQSA-N 1 0 375.535 1.788 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(F)ccc2Br)C1 ZINC000588744803 677678777 /nfs/dbraw/zinc/67/87/77/677678777.db2.gz BIENVFNQIVWFFY-LLVKDONJSA-N 1 0 386.265 1.905 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nnc(C(F)(F)F)s2)C1 ZINC001055341517 677679975 /nfs/dbraw/zinc/67/99/75/677679975.db2.gz HQIGPZMUYHHPAU-ZDCRXTMVSA-N 1 0 375.420 1.735 20 0 GDADRO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCN3CC[NH2+]C[C@H]3C2)c1 ZINC001164392192 718830881 /nfs/dbraw/zinc/83/08/81/718830881.db2.gz NRGYTTKGSZSWEV-KRWDZBQOSA-N 1 0 385.899 1.759 20 0 GDADRO OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164410073 718851071 /nfs/dbraw/zinc/85/10/71/718851071.db2.gz YOLHDWOEGWXQRS-IERDGZPVSA-N 1 0 399.926 1.706 20 0 GDADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164410318 718853205 /nfs/dbraw/zinc/85/32/05/718853205.db2.gz ZYIYXTHEKCRAAH-BLLLJJGKSA-N 1 0 381.814 1.755 20 0 GDADRO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415954 718885278 /nfs/dbraw/zinc/88/52/78/718885278.db2.gz OTYMGJFKDBUCBQ-UHFFFAOYSA-N 1 0 387.847 1.654 20 0 GDADRO COc1nnc(Cl)cc1C(F)(F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416505 718885755 /nfs/dbraw/zinc/88/57/55/718885755.db2.gz XTFLYDIRRSTVJF-UHFFFAOYSA-N 1 0 385.806 1.374 20 0 GDADRO C(c1nc2sc3c(c2c(N2CCC[C@H]4[NH2+]C[C@H]42)n1)CCC3)N1CCOCC1 ZINC001164448855 719000767 /nfs/dbraw/zinc/00/07/67/719000767.db2.gz JJXJKGCDENKUNV-HUUCEWRRSA-N 1 0 385.537 1.953 20 0 GDADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)ncc3C(N)=O)CC2)CC1 ZINC001164614787 719023559 /nfs/dbraw/zinc/02/35/59/719023559.db2.gz YIIMMBNLXNZFSA-UHFFFAOYSA-N 1 0 395.891 1.473 20 0 GDADRO CN(C)C(=O)COCc1noc2c1CN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164663212 719341784 /nfs/dbraw/zinc/34/17/84/719341784.db2.gz WSRMRJGAVIIZJV-UHFFFAOYSA-N 1 0 399.495 1.833 20 0 GDADRO COc1ccc(-c2ccc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)nn2)c(OC)c1OC ZINC001164670157 719469043 /nfs/dbraw/zinc/46/90/43/719469043.db2.gz WQQTVRRFHYWGCN-WBVHZDCISA-N 1 0 386.452 1.689 20 0 GDADRO C[NH+]1CCN(c2cccc(N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@@H]43)n2)CC1 ZINC001164679026 719540440 /nfs/dbraw/zinc/54/04/40/719540440.db2.gz QIKRKCKMSPDIEW-QYZOEREBSA-N 1 0 399.539 1.440 20 0 GDADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164682033 719692681 /nfs/dbraw/zinc/69/26/81/719692681.db2.gz BNNPAYGVHCYDRL-INIZCTEOSA-N 1 0 398.511 1.668 20 0 GDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1ncn3C)CC2 ZINC001164683855 719713380 /nfs/dbraw/zinc/71/33/80/719713380.db2.gz LFXNNTLVAKKJJR-UHFFFAOYSA-N 1 0 377.880 1.198 20 0 GDADRO C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@H]3CC(=O)N4Cc3cccnc3)n2)CC1 ZINC001164690811 719769474 /nfs/dbraw/zinc/76/94/74/719769474.db2.gz IOWXUDYQMHDIKW-RBUKOAKNSA-N 1 0 392.507 1.608 20 0 GDADRO Cn1cc([C@@H]2COC3(C2)CCN(c2ccc(N4CC[NH+](C)CC4)nn2)CC3)cn1 ZINC001164698514 719825010 /nfs/dbraw/zinc/82/50/10/719825010.db2.gz DENAGNTUBGOLKR-KRWDZBQOSA-N 1 0 397.527 1.505 20 0 GDADRO Cn1ccc2c1cc[nH+]c2N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001164703695 720047721 /nfs/dbraw/zinc/04/77/21/720047721.db2.gz LOHAFHQYSSRNPI-UHFFFAOYSA-N 1 0 393.495 1.257 20 0 GDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(Cn3cncn3)cn1)C2 ZINC001164817374 720169718 /nfs/dbraw/zinc/16/97/18/720169718.db2.gz PCQKWGJXIDGIRD-TZIWHRDSSA-N 1 0 382.512 1.906 20 0 GDADRO Cn1nnc2c1CCN(c1ccc(Cl)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714023 720170925 /nfs/dbraw/zinc/17/09/25/720170925.db2.gz NMSLHLWAUOWLOK-CQSZACIVSA-N 1 0 377.880 1.475 20 0 GDADRO Cn1nnc2c1CCN(c1nccc3ncccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164712884 720170988 /nfs/dbraw/zinc/17/09/88/720170988.db2.gz HJZVSCJIOUYPPR-IBGZPJMESA-N 1 0 393.495 1.975 20 0 GDADRO CSc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ncn1 ZINC001164712966 720171902 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O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC2(C1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC001571265257 945503502 /nfs/dbraw/zinc/50/35/02/945503502.db2.gz DYARJVWWYQECQO-HNNXBMFYSA-N 1 0 385.472 1.302 20 0 GDADRO Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C3CCOCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266231 945534636 /nfs/dbraw/zinc/53/46/36/945534636.db2.gz OCTPYBWKYBTEQL-DZGCQCFKSA-N 1 0 385.472 1.115 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC2(C1)CCC[N@H+](C[C@@H]1CCCCO1)C2 ZINC001571266549 945544241 /nfs/dbraw/zinc/54/42/41/945544241.db2.gz UBQBCOXGALLPPE-AWEZNQCLSA-N 1 0 385.472 1.302 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CCCC[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571266574 945548159 /nfs/dbraw/zinc/54/81/59/945548159.db2.gz UJVDBGCPMBDXGD-CABCVRRESA-N 1 0 385.472 1.293 20 0 GDADRO Cc1ncsc1C[NH2+]C1(C)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571271549 945644317 /nfs/dbraw/zinc/64/43/17/945644317.db2.gz DFWIRIUZFHQOLO-UHFFFAOYSA-N 1 0 386.485 1.744 20 0 GDADRO Cc1nccn1CC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C ZINC001571271424 945644368 /nfs/dbraw/zinc/64/43/68/945644368.db2.gz CGZPVBNBIHYZOH-YPMHNXCESA-N 1 0 386.485 1.212 20 0 GDADRO Nc1sc2c(c1-c1nn[nH]n1)CC[N@@H+](C[C@@H](O)COCc1ccccc1)C2 ZINC001571271408 945645136 /nfs/dbraw/zinc/64/51/36/945645136.db2.gz BSBWYVOAXHBYJE-CYBMUJFWSA-N 1 0 386.481 1.446 20 0 GDADRO O=C(Cn1ccnc1)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271744 945649747 /nfs/dbraw/zinc/64/97/47/945649747.db2.gz IRXMPBUFLCKROL-TZMCWYRMSA-N 1 0 386.485 1.199 20 0 GDADRO CCc1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[nH]n1 ZINC001571271757 945650085 /nfs/dbraw/zinc/65/00/85/945650085.db2.gz IVVWYSZADHPCDC-LBPRGKRZSA-N 1 0 386.485 1.608 20 0 GDADRO Cc1nc(C)c(C[NH+]2CC([C@H](C)NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)s1 ZINC001571271859 945652265 /nfs/dbraw/zinc/65/22/65/945652265.db2.gz LBPPKRGQOCHDPU-VIFPVBQESA-N 1 0 386.485 1.518 20 0 GDADRO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[nH]n3)nc2)C1)[NH+](C)C ZINC001571272055 945654156 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UIVWKAMWRSNILY-DGCLKSJQSA-N 1 0 386.485 1.743 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC001571272560 945666225 /nfs/dbraw/zinc/66/62/25/945666225.db2.gz WTHCJNPQFYFHDP-AWEZNQCLSA-N 1 0 386.485 1.221 20 0 GDADRO Cc1nc(C[NH2+]C2CC(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)sc1C ZINC001571272750 945669208 /nfs/dbraw/zinc/66/92/08/945669208.db2.gz ZITKEDAKPVMHIC-UHFFFAOYSA-N 1 0 386.485 1.566 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2(C)C)n1 ZINC001571272732 945669213 /nfs/dbraw/zinc/66/92/13/945669213.db2.gz YUYTWWZHDUNZMP-CYBMUJFWSA-N 1 0 386.485 1.600 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC001571278495 945754030 /nfs/dbraw/zinc/75/40/30/945754030.db2.gz OGJSPKXPBGODEO-QFBILLFUSA-N 1 0 386.456 1.135 20 0 GDADRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821630035 945758093 /nfs/dbraw/zinc/75/80/93/945758093.db2.gz JVXTYAVQBUAERP-UWVGGRQHSA-N 1 0 391.501 1.058 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CCCO3)C2)cc1-c1nn[nH]n1 ZINC001571280026 945795525 /nfs/dbraw/zinc/79/55/25/945795525.db2.gz ZUBCRTSEDIAGED-KKUMJFAQSA-N 1 0 386.456 1.181 20 0 GDADRO CC1(C)C[N@H+](C[C@H]2CCCOC2)CC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571281185 945802194 /nfs/dbraw/zinc/80/21/94/945802194.db2.gz FADLSKCERAAMQT-CJNGLKHVSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001571281726 945812326 /nfs/dbraw/zinc/81/23/26/945812326.db2.gz MREWCXKIXYVGLX-JTQLQIEISA-N 1 0 387.473 1.077 20 0 GDADRO O=C(c1cscn1)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571281875 945816550 /nfs/dbraw/zinc/81/65/50/945816550.db2.gz BIOTUSGROTUCRW-GFCCVEGCSA-N 1 0 387.444 1.857 20 0 GDADRO C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571281989 945822739 /nfs/dbraw/zinc/82/27/39/945822739.db2.gz QPXCMIFVIGFGCP-XJKSGUPXSA-N 1 0 387.488 1.274 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571282790 945861178 /nfs/dbraw/zinc/86/11/78/945861178.db2.gz QYGMLDJHUYXOBP-CZUORRHYSA-N 1 0 387.463 1.893 20 0 GDADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1ccc(F)cn1 ZINC001571282827 945863695 /nfs/dbraw/zinc/86/36/95/945863695.db2.gz SFGASVZAKYOHSJ-NSHDSACASA-N 1 0 387.444 1.714 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282911 945866333 /nfs/dbraw/zinc/86/63/33/945866333.db2.gz VJXNCBVEGOQSOY-XJKSGUPXSA-N 1 0 387.463 1.038 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282910 945866424 /nfs/dbraw/zinc/86/64/24/945866424.db2.gz VJXNCBVEGOQSOY-CZUORRHYSA-N 1 0 387.463 1.038 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[nH]n2)nn1)[NH+](C)C ZINC001571283242 945884408 /nfs/dbraw/zinc/88/44/08/945884408.db2.gz CPHZPJNSOQTWHH-CJNGLKHVSA-N 1 0 387.492 1.036 20 0 GDADRO Cc1[nH]nc(Cl)c1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001571284661 945905191 /nfs/dbraw/zinc/90/51/91/945905191.db2.gz SFPMYWIGZSCMAC-KOLCDFICSA-N 1 0 387.835 1.084 20 0 GDADRO O=C(N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001571285197 945910329 /nfs/dbraw/zinc/91/03/29/945910329.db2.gz ZHVVXMLQCUBUCU-CYBMUJFWSA-N 1 0 387.513 1.105 20 0 GDADRO CC[C@H](C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nn[nH]n2)n1)[NH+](C)C ZINC001571285211 945911664 /nfs/dbraw/zinc/91/16/64/945911664.db2.gz ZMPXZDVFWUPSPY-UKRRQHHQSA-N 1 0 387.492 1.098 20 0 GDADRO O=C(N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2)C1(C(F)F)CC1 ZINC001571286694 945954954 /nfs/dbraw/zinc/95/49/54/945954954.db2.gz PHXRVDWTFIWVKH-UHFFFAOYSA-N 1 0 388.422 1.946 20 0 GDADRO O=C(C[C@H]1CCOC1)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571287388 945969740 /nfs/dbraw/zinc/96/97/40/945969740.db2.gz CODSFNJOOBRUMA-CYBMUJFWSA-N 1 0 388.447 1.513 20 0 GDADRO O=C([C@@H]1CCCOCC1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571287226 945970139 /nfs/dbraw/zinc/97/01/39/945970139.db2.gz BEYVVBMFNBDYBZ-CABCVRRESA-N 1 0 388.447 1.513 20 0 GDADRO O=C(C[C@H]1CCCO1)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287641 945975572 /nfs/dbraw/zinc/97/55/72/945975572.db2.gz GRFWGUYZEUIIOX-LSDHHAIUSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(C[C@H]1CCCO1)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287640 945976086 /nfs/dbraw/zinc/97/60/86/945976086.db2.gz GRFWGUYZEUIIOX-HUUCEWRRSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCCOC1 ZINC001571287797 945978252 /nfs/dbraw/zinc/97/82/52/945978252.db2.gz IFRKPWKXLDANPB-AUUYWEPGSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001571288336 945985739 /nfs/dbraw/zinc/98/57/39/945985739.db2.gz OJSSKIORNIXNFX-KUHUBIRLSA-N 1 0 388.447 1.513 20 0 GDADRO CN(C(=O)[C@H]1CCOC1)C1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288547 945987788 /nfs/dbraw/zinc/98/77/88/945987788.db2.gz QGDGQGXUAJHGHG-AWEZNQCLSA-N 1 0 388.447 1.465 20 0 GDADRO C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001571289323 946001574 /nfs/dbraw/zinc/00/15/74/946001574.db2.gz ZPSKDCMDIIKAPX-SUMWQHHRSA-N 1 0 388.447 1.465 20 0 GDADRO Cc1[nH]c(=O)[nH]c1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571289612 946012582 /nfs/dbraw/zinc/01/25/82/946012582.db2.gz IRKCYYDDJNDYJQ-UHFFFAOYSA-N 1 0 388.457 1.060 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571290100 946028141 /nfs/dbraw/zinc/02/81/41/946028141.db2.gz VFVAARSIZIMFPC-WDEREUQCSA-N 1 0 388.457 1.342 20 0 GDADRO CC[C@@H](C(=O)N1CCC[C@@H](CNc2cccc(F)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571294489 946136009 /nfs/dbraw/zinc/13/60/09/946136009.db2.gz HNRBUCIUTQOWBB-BBRMVZONSA-N 1 0 389.479 1.997 20 0 GDADRO CC[C@@H](SC)C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571294926 946148179 /nfs/dbraw/zinc/14/81/79/946148179.db2.gz MOGKRUGNYXUMJP-CZUORRHYSA-N 1 0 389.529 1.996 20 0 GDADRO Cc1noc(C(F)F)c1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571294971 946150903 /nfs/dbraw/zinc/15/09/03/946150903.db2.gz RDXMAKSHOZQXHU-KYZUINATSA-N 1 0 390.354 1.291 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)[NH+](C)C ZINC001571295484 946164050 /nfs/dbraw/zinc/16/40/50/946164050.db2.gz UYKXBVGGOPOKFN-QGZVFWFLSA-N 1 0 389.479 1.236 20 0 GDADRO C[C@@H]1CN(C(=O)CC(C)(C)O)CC[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571297937 946200700 /nfs/dbraw/zinc/20/07/00/946200700.db2.gz DUNJARZARZQKOM-MLGOLLRUSA-N 1 0 390.463 1.493 20 0 GDADRO CO[C@H](C)C(=O)N1CCC(C[N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571297948 946202370 /nfs/dbraw/zinc/20/23/70/946202370.db2.gz FICQSPLSZHZPQE-CYBMUJFWSA-N 1 0 390.463 1.711 20 0 GDADRO O=C(c1ccccn1)N1CCC2(C1)CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001571298061 946203129 /nfs/dbraw/zinc/20/31/29/946203129.db2.gz ISBZMRPWOBOPLD-UHFFFAOYSA-N 1 0 390.451 1.789 20 0 GDADRO C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571298050 946203965 /nfs/dbraw/zinc/20/39/65/946203965.db2.gz IEUABHGOMDUVBM-VXGBXAGGSA-N 1 0 390.469 1.001 20 0 GDADRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H](F)C(C)C)CC2)cc1-c1nn[nH]n1 ZINC001571298465 946220219 /nfs/dbraw/zinc/22/02/19/946220219.db2.gz OKNUNBKBUZRDPX-QGZVFWFLSA-N 1 0 390.463 1.950 20 0 GDADRO O=C(NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CCCO1 ZINC001571298638 946223775 /nfs/dbraw/zinc/22/37/75/946223775.db2.gz BSKRJBHKPFVXNS-UKRRQHHQSA-N 1 0 390.513 1.968 20 0 GDADRO CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C1 ZINC001571298848 946229311 /nfs/dbraw/zinc/22/93/11/946229311.db2.gz FHKLSRCYZYFUOJ-OLZOCXBDSA-N 1 0 390.517 1.153 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3scnc3Cl)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571299017 946235345 /nfs/dbraw/zinc/23/53/45/946235345.db2.gz GWDAAZYBASHSEN-VIFPVBQESA-N 1 0 390.860 1.429 20 0 GDADRO O=C(CC[N@H+]1CCCC[C@H]1CO)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000822964156 946235626 /nfs/dbraw/zinc/23/56/26/946235626.db2.gz FGKZLZSTTIPKJU-LBPRGKRZSA-N 1 0 390.513 1.982 20 0 GDADRO O=C(C1CCC(O)CC1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299356 946248856 /nfs/dbraw/zinc/24/88/56/946248856.db2.gz LPBIPYJSGVULSA-MOKVOYLWSA-N 1 0 390.513 1.560 20 0 GDADRO Cc1nsc(N2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)c1-c1nn[nH]n1 ZINC001571299734 946258502 /nfs/dbraw/zinc/25/85/02/946258502.db2.gz OZVCLZWAEYUAQI-LLVKDONJSA-N 1 0 390.517 1.058 20 0 GDADRO Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnccc2C)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001571299776 946262618 /nfs/dbraw/zinc/26/26/18/946262618.db2.gz UQIATYZPBQOERL-COXVUDFISA-N 1 0 390.451 1.813 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)COC1CCCC1 ZINC001571299870 946265665 /nfs/dbraw/zinc/26/56/65/946265665.db2.gz PZBCABSCENYPIW-OLZOCXBDSA-N 1 0 390.513 1.966 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001571300074 946271240 /nfs/dbraw/zinc/27/12/40/946271240.db2.gz TYFVKZZEONQVEB-ACJLOTCBSA-N 1 0 390.513 1.778 20 0 GDADRO O=C(C[C@@H]1CCOC1)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571300159 946275927 /nfs/dbraw/zinc/27/59/27/946275927.db2.gz VVUZJVUXYDFXQC-UONOGXRCSA-N 1 0 390.513 1.826 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000823211049 946344210 /nfs/dbraw/zinc/34/42/10/946344210.db2.gz LCXUXWDDLWAIEY-KRWDZBQOSA-N 1 0 399.499 1.905 20 0 GDADRO O=C(CCc1ccccn1)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571305619 946370934 /nfs/dbraw/zinc/37/09/34/946370934.db2.gz HPYNYDJOFRVDHI-UHFFFAOYSA-N 1 0 391.479 1.929 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC([C@H]2C[C@H]([NH2+]CCF)CCO2)CC1 ZINC001571307060 946415580 /nfs/dbraw/zinc/41/55/80/946415580.db2.gz VGNOCMFSUHNOPZ-GDBMZVCRSA-N 1 0 391.451 1.154 20 0 GDADRO O=C(c1cncc(F)c1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823497925 946437223 /nfs/dbraw/zinc/43/72/23/946437223.db2.gz AYUZBCYERUVXSU-UHFFFAOYSA-N 1 0 381.415 1.749 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001571309380 946442343 /nfs/dbraw/zinc/44/23/43/946442343.db2.gz YQRJGGBBDHRDGC-MJBXVCDLSA-N 1 0 392.410 1.657 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ccccc1 ZINC001571310546 946475008 /nfs/dbraw/zinc/47/50/08/946475008.db2.gz IUCWISCQAYJTTI-RBUKOAKNSA-N 1 0 392.463 1.945 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1)n1cccc1 ZINC001571310810 946478917 /nfs/dbraw/zinc/47/89/17/946478917.db2.gz NQESFYFDKRNBBM-MGPUTAFESA-N 1 0 392.467 1.753 20 0 GDADRO CCc1ccnc(C(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571312657 946499050 /nfs/dbraw/zinc/49/90/50/946499050.db2.gz AAERAXCXFQZVPN-OAHLLOKOSA-N 1 0 392.467 1.666 20 0 GDADRO CN(C)c1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)ccn1 ZINC001571312724 946500443 /nfs/dbraw/zinc/50/04/43/946500443.db2.gz BVOMSNDFELJMNP-QGZVFWFLSA-N 1 0 392.467 1.332 20 0 GDADRO CCc1cccnc1C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571312990 946508847 /nfs/dbraw/zinc/50/88/47/946508847.db2.gz GXHURSSMUJEDLZ-UKRRQHHQSA-N 1 0 392.467 1.721 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)c1cnn2c1CCC2 ZINC001571313505 946526126 /nfs/dbraw/zinc/52/61/26/946526126.db2.gz QLXVVKBUGFQEDB-CZUORRHYSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)CCc1cnccn1 ZINC001571313799 946532146 /nfs/dbraw/zinc/53/21/46/946532146.db2.gz WLVBTKFRYYMNSI-KSSFIOAISA-N 1 0 392.467 1.369 20 0 GDADRO CC(=O)NC1CC[NH+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823988740 946532171 /nfs/dbraw/zinc/53/21/71/946532171.db2.gz JAQGPDKVZMRNHS-UHFFFAOYSA-N 1 0 380.456 1.368 20 0 GDADRO C[C@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571313779 946533123 /nfs/dbraw/zinc/53/31/23/946533123.db2.gz WBCPOWBSLBGGSD-XJKSGUPXSA-N 1 0 392.467 1.260 20 0 GDADRO Cc1cc(NC[C@@H]2CC[C@H](NC(=O)c3ccncc3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315142 946547493 /nfs/dbraw/zinc/54/74/93/946547493.db2.gz GSBILOGXSQFCQI-CABCVRRESA-N 1 0 392.467 1.706 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C12CCC2 ZINC001571315268 946550253 /nfs/dbraw/zinc/55/02/53/946550253.db2.gz IKWKWMRSCGQSLN-CVEARBPZSA-N 1 0 392.467 1.729 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)ncn1 ZINC001571315652 946557564 /nfs/dbraw/zinc/55/75/64/946557564.db2.gz NDWYKZAFRCWMBF-DOTOQJQBSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@H](C)[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001571315857 946560242 /nfs/dbraw/zinc/56/02/42/946560242.db2.gz PUKCKFWURRICJV-BBRMVZONSA-N 1 0 392.467 1.136 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C23CCC3)n1 ZINC001571316134 946565514 /nfs/dbraw/zinc/56/55/14/946565514.db2.gz USFXGJAVQWGNNV-JKSUJKDBSA-N 1 0 392.467 1.729 20 0 GDADRO Cc1cc(C)nc(C(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571316163 946568480 /nfs/dbraw/zinc/56/84/80/946568480.db2.gz VGMFWPBLGOFFMC-HNNXBMFYSA-N 1 0 392.467 1.660 20 0 GDADRO Cn1nc2c(c1C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C1)CCC2 ZINC001571316505 946579110 /nfs/dbraw/zinc/57/91/10/946579110.db2.gz DYLUGICNTLNTCW-CQSZACIVSA-N 1 0 392.467 1.093 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1ccnn1C1CCC1 ZINC001571316567 946582563 /nfs/dbraw/zinc/58/25/63/946582563.db2.gz GTEAXPWWNBZZFS-OAHLLOKOSA-N 1 0 392.467 1.793 20 0 GDADRO Cc1cnc(C(=O)N[C@@H]2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)cc1C ZINC001571316694 946584971 /nfs/dbraw/zinc/58/49/71/946584971.db2.gz KBAWLAYFQMWEHJ-GOEBONIOSA-N 1 0 392.467 1.706 20 0 GDADRO O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cncnc1 ZINC001571316884 946591627 /nfs/dbraw/zinc/59/16/27/946591627.db2.gz OXOKDXXDXDZTON-SJLPKXTDSA-N 1 0 392.467 1.735 20 0 GDADRO Cc1nnccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571317175 946600752 /nfs/dbraw/zinc/60/07/52/946600752.db2.gz XJEANAXALRMHQX-KRWDZBQOSA-N 1 0 392.467 1.750 20 0 GDADRO Cc1ncccc1C[N@@H+]1CC[C@@]2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC[C@H]12 ZINC001571317169 946601076 /nfs/dbraw/zinc/60/10/76/946601076.db2.gz WZESOIQAIDJPRW-PXNSSMCTSA-N 1 0 392.467 1.825 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cc(C2CC2)n[nH]1 ZINC001571317518 946611973 /nfs/dbraw/zinc/61/19/73/946611973.db2.gz LDGZKIXUBIEZIH-HNNXBMFYSA-N 1 0 392.467 1.862 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573522413 946625456 /nfs/dbraw/zinc/62/54/56/946625456.db2.gz FJUDMDKETQLULB-CHWSQXEVSA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)N[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC001573541899 946790131 /nfs/dbraw/zinc/79/01/31/946790131.db2.gz XNDUUOPHJHCFPO-BLLLJJGKSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCCOc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562360 946802231 /nfs/dbraw/zinc/80/22/31/946802231.db2.gz GGDHXGCJCFXLRZ-CYBMUJFWSA-N 1 0 384.415 1.852 20 0 GDADRO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824584558 946831079 /nfs/dbraw/zinc/83/10/79/946831079.db2.gz BZLVRFOSTSVTFU-ZDUSSCGKSA-N 1 0 383.456 1.772 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000824612212 946862476 /nfs/dbraw/zinc/86/24/76/946862476.db2.gz KUZSANNHGJQAJY-JTQLQIEISA-N 1 0 376.417 1.504 20 0 GDADRO CC[C@@H](O)C[NH+]1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825153580 947101694 /nfs/dbraw/zinc/10/16/94/947101694.db2.gz INGNTXYGWGMHLC-GOSISDBHSA-N 1 0 396.499 1.156 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825451154 947193697 /nfs/dbraw/zinc/19/36/97/947193697.db2.gz GNIFLFRWEDQZIG-ROUUACIJSA-N 1 0 383.500 1.778 20 0 GDADRO C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573586795 947293594 /nfs/dbraw/zinc/29/35/94/947293594.db2.gz TYFVIIDDEVIEIW-KGLIPLIRSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573592892 947356507 /nfs/dbraw/zinc/35/65/07/947356507.db2.gz GLQBOESIGIDWIE-MAUKXSAKSA-N 1 0 379.468 1.962 20 0 GDADRO CN(C)c1nccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000825888850 947362729 /nfs/dbraw/zinc/36/27/29/947362729.db2.gz WPYYPWYMOGCFDR-UHFFFAOYSA-N 1 0 379.472 1.481 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C1CCCC1 ZINC001573593180 947364553 /nfs/dbraw/zinc/36/45/53/947364553.db2.gz REGCYPKHYRATBQ-ZFWWWQNUSA-N 1 0 387.488 1.344 20 0 GDADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825981800 947394272 /nfs/dbraw/zinc/39/42/72/947394272.db2.gz YGLBTQHPXGKDMQ-GOSISDBHSA-N 1 0 394.479 1.927 20 0 GDADRO CN(Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000825985963 947394526 /nfs/dbraw/zinc/39/45/26/947394526.db2.gz ISIFOFYOQSLIMA-SFHVURJKSA-N 1 0 378.484 1.936 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccc(C)cc2)c1-c1nn[nH]n1 ZINC000826073248 947422803 /nfs/dbraw/zinc/42/28/03/947422803.db2.gz LLJOVQOSOGKOBU-CYBMUJFWSA-N 1 0 382.472 1.868 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccc1 ZINC001573598852 947446526 /nfs/dbraw/zinc/44/65/26/947446526.db2.gz SMNSBEXAMQQISO-QAPCUYQASA-N 1 0 379.468 1.962 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826132626 947446891 /nfs/dbraw/zinc/44/68/91/947446891.db2.gz FLUDUWKCXSOPGR-HNAYVOBHSA-N 1 0 386.456 1.194 20 0 GDADRO COC(=O)COc1ccc(C[N@H+](C)CCOc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826138110 947449017 /nfs/dbraw/zinc/44/90/17/947449017.db2.gz FABBBLDHEQYDAP-UHFFFAOYSA-N 1 0 397.435 1.929 20 0 GDADRO CC(C(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)=C1CCC1 ZINC001573607537 947550005 /nfs/dbraw/zinc/55/00/05/947550005.db2.gz OKNMQMJDHKYWQQ-MLGOLLRUSA-N 1 0 381.484 1.999 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573614388 947583064 /nfs/dbraw/zinc/58/30/64/947583064.db2.gz DVNYBJYDJPLLCF-MNOVXSKESA-N 1 0 383.378 1.745 20 0 GDADRO COc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1-c1nn[nH]n1 ZINC000826198122 947596579 /nfs/dbraw/zinc/59/65/79/947596579.db2.gz NAYMOARKXYFCMQ-GDBMZVCRSA-N 1 0 385.472 1.501 20 0 GDADRO C[C@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573616351 947620745 /nfs/dbraw/zinc/62/07/45/947620745.db2.gz IBKCWRDRGYZOPS-SNVBAGLBSA-N 1 0 383.378 1.533 20 0 GDADRO CS[C@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1N(C)C ZINC000826226745 947665726 /nfs/dbraw/zinc/66/57/26/947665726.db2.gz FRYBZARDZOAUPV-CABCVRRESA-N 1 0 375.502 1.173 20 0 GDADRO CS[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1[NH+](C)C ZINC000826227189 947666834 /nfs/dbraw/zinc/66/68/34/947666834.db2.gz NJYVZUNDJSAHST-JSGCOSHPSA-N 1 0 384.456 1.946 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1F ZINC001573625196 947698930 /nfs/dbraw/zinc/69/89/30/947698930.db2.gz NPOAHCMJQREXFL-STQMWFEESA-N 1 0 381.415 1.639 20 0 GDADRO C[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573625641 947703349 /nfs/dbraw/zinc/70/33/49/947703349.db2.gz PUKLOZXAHUPFFH-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO CC(=O)CCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573367952 947765396 /nfs/dbraw/zinc/76/53/96/947765396.db2.gz JQJWTUDVSIBSBZ-GFCCVEGCSA-N 1 0 376.436 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001573374117 947804159 /nfs/dbraw/zinc/80/41/59/947804159.db2.gz MNORZMUSTVWOHO-RDTXWAMCSA-N 1 0 384.484 1.953 20 0 GDADRO Cc1onc(CC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000826283853 947815681 /nfs/dbraw/zinc/81/56/81/947815681.db2.gz COIREIYXIVWHBL-KRWDZBQOSA-N 1 0 395.467 1.967 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccsc1 ZINC001573638764 947841393 /nfs/dbraw/zinc/84/13/93/947841393.db2.gz USEQSLZBQQZOFD-GXTWGEPZSA-N 1 0 383.481 1.952 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccsc1 ZINC001573638765 947842833 /nfs/dbraw/zinc/84/28/33/947842833.db2.gz USEQSLZBQQZOFD-TZMCWYRMSA-N 1 0 383.481 1.952 20 0 GDADRO CC(=O)CCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573376917 947843740 /nfs/dbraw/zinc/84/37/40/947843740.db2.gz FIKUOYTZZBZMEM-QWHCGFSZSA-N 1 0 376.436 1.748 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001573639615 947845791 /nfs/dbraw/zinc/84/57/91/947845791.db2.gz AGFCQUVWHKOVQZ-RHSMWYFYSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573640174 947851456 /nfs/dbraw/zinc/85/14/56/947851456.db2.gz GOOYDYZUGKPVMH-RHSMWYFYSA-N 1 0 377.452 1.756 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001573640092 947851484 /nfs/dbraw/zinc/85/14/84/947851484.db2.gz FKAVMCBWPKFVOF-DGCLKSJQSA-N 1 0 376.486 1.291 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccn1 ZINC001573646261 947873281 /nfs/dbraw/zinc/87/32/81/947873281.db2.gz KJKZKYYEUFOTHI-JCGIZDLHSA-N 1 0 392.467 1.357 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)n1cccn1 ZINC001573646881 947879281 /nfs/dbraw/zinc/87/92/81/947879281.db2.gz YFMJHNMNIHCNFW-JSGCOSHPSA-N 1 0 384.419 1.154 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573382712 947885747 /nfs/dbraw/zinc/88/57/47/947885747.db2.gz JSYWNHLZYQHOGF-BETUJISGSA-N 1 0 376.486 1.672 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)n1cccc1 ZINC001573647590 947899757 /nfs/dbraw/zinc/89/97/57/947899757.db2.gz PSNAGQVNGRLGHG-QLFBSQMISA-N 1 0 380.456 1.253 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651136 947917637 /nfs/dbraw/zinc/91/76/37/947917637.db2.gz IQDKGCXNYJDCQG-JKDFXYPNSA-N 1 0 391.426 1.838 20 0 GDADRO Cc1onc(CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826342877 947986694 /nfs/dbraw/zinc/98/66/94/947986694.db2.gz CYXBVHPYIUJTGX-INIZCTEOSA-N 1 0 395.467 1.686 20 0 GDADRO Cc1onc(CC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1-c1nn[nH]n1 ZINC000826344590 948008689 /nfs/dbraw/zinc/00/86/89/948008689.db2.gz LZCSUWPULCOSMD-UHFFFAOYSA-N 1 0 387.488 1.820 20 0 GDADRO Cc1onc(CC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826344655 948012011 /nfs/dbraw/zinc/01/20/11/948012011.db2.gz NTCFPYBBHAFSNU-UHFFFAOYSA-N 1 0 381.440 1.440 20 0 GDADRO Cc1onc(CC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826347099 948048977 /nfs/dbraw/zinc/04/89/77/948048977.db2.gz FDJWACCRZRQRDR-ZDUSSCGKSA-N 1 0 383.456 1.732 20 0 GDADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCOc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826359594 948114902 /nfs/dbraw/zinc/11/49/02/948114902.db2.gz LMOJYERGLPRXDR-WMZOPIPTSA-N 1 0 383.456 1.567 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573677851 948143050 /nfs/dbraw/zinc/14/30/50/948143050.db2.gz FUPVEZMAADXQAD-KGLIPLIRSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1)n1cccn1 ZINC001573679744 948168194 /nfs/dbraw/zinc/16/81/94/948168194.db2.gz JWZUQKIDRDMBFP-CXAGYDPISA-N 1 0 380.456 1.309 20 0 GDADRO C[C@H](C(=O)NC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+]1CCCCCC1 ZINC001573681434 948203958 /nfs/dbraw/zinc/20/39/58/948203958.db2.gz WWLBWHGOWIGKHH-OAHLLOKOSA-N 1 0 383.500 1.432 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573681734 948212527 /nfs/dbraw/zinc/21/25/27/948212527.db2.gz XGPICPHOFFRLDX-ABAIWWIYSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCCC1 ZINC001573692474 948265160 /nfs/dbraw/zinc/26/51/60/948265160.db2.gz PAWRISVQUAZISP-IUODEOHRSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)[C@@H]1CCCO1 ZINC001573692692 948270818 /nfs/dbraw/zinc/27/08/18/948270818.db2.gz RVFSWYYVZKBHJD-LRDDRELGSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573696828 948333990 /nfs/dbraw/zinc/33/39/90/948333990.db2.gz XOIBIYUFPAZDOP-KTAKPFMOSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573704351 948372464 /nfs/dbraw/zinc/37/24/64/948372464.db2.gz ATGMGPPYBWQTAZ-CYBMUJFWSA-N 1 0 381.444 1.052 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+]CCc2nnc3n2CCC3)CC1 ZINC000826514644 948440382 /nfs/dbraw/zinc/44/03/82/948440382.db2.gz XQBMKIUMMZDLOL-UHFFFAOYSA-N 1 0 393.499 1.201 20 0 GDADRO C[C@@H](C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573708950 948464039 /nfs/dbraw/zinc/46/40/39/948464039.db2.gz ZLSWBEMJRDTLOI-CQSZACIVSA-N 1 0 377.452 1.613 20 0 GDADRO C[C@@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573713659 948466150 /nfs/dbraw/zinc/46/61/50/948466150.db2.gz AUAIQDFLRZWFAS-RYUDHWBXSA-N 1 0 379.415 1.886 20 0 GDADRO C[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573718354 948515491 /nfs/dbraw/zinc/51/54/91/948515491.db2.gz QWOFDGRVRAGWRL-UONOGXRCSA-N 1 0 382.472 1.388 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573728175 948559824 /nfs/dbraw/zinc/55/98/24/948559824.db2.gz PRERMLIHGQPBFX-GRYCIOLGSA-N 1 0 379.415 1.672 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573728913 948563664 /nfs/dbraw/zinc/56/36/64/948563664.db2.gz RHBZDBLQHOQNNK-QILLFSRXSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C)n1cccn1 ZINC001573743134 948667599 /nfs/dbraw/zinc/66/75/99/948667599.db2.gz YEXOATPZUBXAGM-KEYYUXOJSA-N 1 0 380.456 1.403 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)[C@H]1CCCO1 ZINC001573751942 948708861 /nfs/dbraw/zinc/70/88/61/948708861.db2.gz INERZDKUAWJALY-CUWKQTPXSA-N 1 0 382.468 1.228 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)c1ccco1 ZINC001573751980 948709651 /nfs/dbraw/zinc/70/96/51/948709651.db2.gz JBDIWKFFVVWBEN-KBNOKHGBSA-N 1 0 384.465 1.871 20 0 GDADRO CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)cc1 ZINC001574416511 948748943 /nfs/dbraw/zinc/74/89/43/948748943.db2.gz VYQBBGCDJPOLBB-OAHLLOKOSA-N 1 0 381.440 1.010 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCCCO1 ZINC001573763401 948866540 /nfs/dbraw/zinc/86/65/40/948866540.db2.gz DRYCRCUASGVHBN-CJNGLKHVSA-N 1 0 385.472 1.292 20 0 GDADRO CC(C)c1ncc(C(=O)N[C@@H](C)[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)s1 ZINC001574427826 948914291 /nfs/dbraw/zinc/91/42/91/948914291.db2.gz RDEGUGFMWFYIFB-MNOVXSKESA-N 1 0 386.485 1.882 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001574685751 948917002 /nfs/dbraw/zinc/91/70/02/948917002.db2.gz ZPLWXTHOLJAKEP-NSHDSACASA-N 1 0 392.895 1.564 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CC1CC[NH+](C)CC1 ZINC001574685711 948918855 /nfs/dbraw/zinc/91/88/55/948918855.db2.gz ZFZAFQHIADQFQW-LBPRGKRZSA-N 1 0 390.467 1.439 20 0 GDADRO CC(C)[C@@H]1C[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001574089240 948949533 /nfs/dbraw/zinc/94/95/33/948949533.db2.gz FAQYEYQXUHKQKO-QAPCUYQASA-N 1 0 386.500 1.866 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574433126 948951033 /nfs/dbraw/zinc/95/10/33/948951033.db2.gz IEUSXBQLNBLTTJ-NSHDSACASA-N 1 0 388.501 1.693 20 0 GDADRO CC(C)(C(=O)NC1CC(CNc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCC1 ZINC001573772224 948951687 /nfs/dbraw/zinc/95/16/87/948951687.db2.gz RGJDFQRFPCIBMI-UHFFFAOYSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1ncc(-c2nn[nH]n2)cc1F ZINC001574926295 948995403 /nfs/dbraw/zinc/99/54/03/948995403.db2.gz MTQUZSCJQHOJSL-LBPRGKRZSA-N 1 0 392.483 1.320 20 0 GDADRO CC(C)[C@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574091926 949042167 /nfs/dbraw/zinc/04/21/67/949042167.db2.gz PXBDCXXHQSHSFZ-KGLIPLIRSA-N 1 0 385.472 1.001 20 0 GDADRO C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575503334 949042788 /nfs/dbraw/zinc/04/27/88/949042788.db2.gz KUNWRYSUUGQNQG-KWAYOQMPSA-N 1 0 381.415 1.755 20 0 GDADRO C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575503901 949055457 /nfs/dbraw/zinc/05/54/57/949055457.db2.gz MXZHBHCJOXPANB-MGJUMRQLSA-N 1 0 381.415 1.755 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)c1cnc[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574694282 949074070 /nfs/dbraw/zinc/07/40/70/949074070.db2.gz MXORFTTYZJTBEK-CYBMUJFWSA-N 1 0 382.472 1.504 20 0 GDADRO CC(C)[C@@H]1C[C@H](CC(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001574092888 949083142 /nfs/dbraw/zinc/08/31/42/949083142.db2.gz QBDPPALXFVRQDS-PBHICJAKSA-N 1 0 387.488 1.395 20 0 GDADRO CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001574094120 949126998 /nfs/dbraw/zinc/12/69/98/949126998.db2.gz XMZIDYBXZBOVQV-KBPBESRZSA-N 1 0 385.472 1.053 20 0 GDADRO CC(C)(C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)F ZINC001573782737 949128477 /nfs/dbraw/zinc/12/84/77/949128477.db2.gz WWVVNMMEGHUMAV-LLVKDONJSA-N 1 0 379.415 1.886 20 0 GDADRO CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573783115 949140116 /nfs/dbraw/zinc/14/01/16/949140116.db2.gz QWOZGXKPHYKCBA-CTYIDZIISA-N 1 0 392.467 1.363 20 0 GDADRO CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCC1 ZINC001573786911 949155684 /nfs/dbraw/zinc/15/56/84/949155684.db2.gz 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JMSAQILPPNNYPO-NWDGAFQWSA-N 1 0 375.452 1.795 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cccnn2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576179957 949931771 /nfs/dbraw/zinc/93/17/71/949931771.db2.gz GCLDQABVERYZLY-KSSFIOAISA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H](CC(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)c1ccco1 ZINC001574489732 949970116 /nfs/dbraw/zinc/97/01/16/949970116.db2.gz LOBUAWPYZHKPPG-RRFJBIMHSA-N 1 0 395.467 1.977 20 0 GDADRO C[C@@H](CN(C)C(=O)COCC1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574727687 949979362 /nfs/dbraw/zinc/97/93/62/949979362.db2.gz XIEXEUNIAQSRAS-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)COc1cccnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574727693 949980062 /nfs/dbraw/zinc/98/00/62/949980062.db2.gz XSBZZJPHYYIFEM-CQSZACIVSA-N 1 0 381.440 1.277 20 0 GDADRO C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576181735 950016932 /nfs/dbraw/zinc/01/69/32/950016932.db2.gz JGMVVAWBWUXHAQ-HOCLYGCPSA-N 1 0 386.500 1.602 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574729571 950022272 /nfs/dbraw/zinc/02/22/72/950022272.db2.gz OLCKZUPXVDSTJX-AWEZNQCLSA-N 1 0 391.479 1.674 20 0 GDADRO C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576182004 950029282 /nfs/dbraw/zinc/02/92/82/950029282.db2.gz KHDFIFUGLXRSEK-ZIAGYGMSSA-N 1 0 387.488 1.395 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@]1(C)CCOC1 ZINC001574150677 950034803 /nfs/dbraw/zinc/03/48/03/950034803.db2.gz DGEWQICRNNGROI-XLIONFOSSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cn[nH]c1 ZINC001574150853 950039885 /nfs/dbraw/zinc/03/98/85/950039885.db2.gz FPYPGQPWSHNYAZ-CQSZACIVSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576182330 950045532 /nfs/dbraw/zinc/04/55/32/950045532.db2.gz OAOXPOWVYDWBAO-BLLLJJGKSA-N 1 0 382.428 1.280 20 0 GDADRO C[C@]1(C(=O)NCC2([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CCCOC1 ZINC001575575400 950052677 /nfs/dbraw/zinc/05/26/77/950052677.db2.gz IRTGVIZDLNZGFL-SFHVURJKSA-N 1 0 388.447 1.561 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001574151050 950056047 /nfs/dbraw/zinc/05/60/47/950056047.db2.gz KDWBRQUYOMMHOK-KBPBESRZSA-N 1 0 392.529 1.975 20 0 GDADRO C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576182439 950057998 /nfs/dbraw/zinc/05/79/98/950057998.db2.gz LKKZRXWRAWGAAX-HUUCEWRRSA-N 1 0 384.488 1.254 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCOC1 ZINC001574151260 950067535 /nfs/dbraw/zinc/06/75/35/950067535.db2.gz OIIOUSRSHNLWER-BBRMVZONSA-N 1 0 390.463 1.663 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574732263 950072043 /nfs/dbraw/zinc/07/20/43/950072043.db2.gz IBHFKZNURGXHII-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574733001 950086741 /nfs/dbraw/zinc/08/67/41/950086741.db2.gz PDZBIBGZFWINME-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ncc[nH]1 ZINC001574151678 950088309 /nfs/dbraw/zinc/08/83/09/950088309.db2.gz XUWKPQJVZJSVJX-CYBMUJFWSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2cn(C)cn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575894081 950095675 /nfs/dbraw/zinc/09/56/75/950095675.db2.gz CXMZHEDTNAGSIF-WCQYABFASA-N 1 0 386.485 1.445 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C[NH2+]Cc1nccs1 ZINC001576183745 950101041 /nfs/dbraw/zinc/10/10/41/950101041.db2.gz UJBWIEZHYSHOJZ-RISCZKNCSA-N 1 0 386.485 1.682 20 0 GDADRO CC(C)C[C@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151871 950100982 /nfs/dbraw/zinc/10/09/82/950100982.db2.gz ZXLHGOSWCRSBCG-KGLIPLIRSA-N 1 0 375.477 1.498 20 0 GDADRO CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573838692 950116266 /nfs/dbraw/zinc/11/62/66/950116266.db2.gz GLPWJGNDPGQNKG-MRXNPFEDSA-N 1 0 388.516 1.896 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)C(F)(F)F ZINC001574493145 950118165 /nfs/dbraw/zinc/11/81/65/950118165.db2.gz DVADGUVAKDIPQF-JQWIXIFHSA-N 1 0 386.378 1.022 20 0 GDADRO CC1(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCC1 ZINC001575582578 950121559 /nfs/dbraw/zinc/12/15/59/950121559.db2.gz KPLWGOVWTNKWNE-LJQANCHMSA-N 1 0 388.447 1.249 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cncn2C)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575896128 950122789 /nfs/dbraw/zinc/12/27/89/950122789.db2.gz KHIBQVVNXYSGLD-CZUORRHYSA-N 1 0 380.456 1.383 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1CCOCC1 ZINC001574154016 950161526 /nfs/dbraw/zinc/16/15/26/950161526.db2.gz ZPJUBOSNUCSHBU-KRWDZBQOSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC001575585181 950187413 /nfs/dbraw/zinc/18/74/13/950187413.db2.gz XCUZWLUZHXADOQ-FXAWDEMLSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1cc[nH]n1 ZINC001575900279 950194399 /nfs/dbraw/zinc/19/43/99/950194399.db2.gz DCEBCCHYKLZQKG-BDJLRTHQSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)C1=COCCC1 ZINC001575900642 950202638 /nfs/dbraw/zinc/20/26/38/950202638.db2.gz GWJJJMMHMNTXAP-PXAZEXFGSA-N 1 0 386.431 1.779 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC001574496464 950215062 /nfs/dbraw/zinc/21/50/62/950215062.db2.gz WNLZXJGHWUAJLL-BBRMVZONSA-N 1 0 384.440 1.220 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cncn1C ZINC001575901030 950216787 /nfs/dbraw/zinc/21/67/87/950216787.db2.gz KBLKVINSUBMHDD-ABAIWWIYSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cnns1 ZINC001575901125 950219363 /nfs/dbraw/zinc/21/93/63/950219363.db2.gz LJVBDQHGEGDAPK-ZANVPECISA-N 1 0 388.432 1.250 20 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CC1(C)CC(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001575624078 950662750 /nfs/dbraw/zinc/66/27/50/950662750.db2.gz FTNAUSWNFFAPTA-ZDUSSCGKSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](CNC(=O)c1cc2n(n1)CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575005324 950676497 /nfs/dbraw/zinc/67/64/97/950676497.db2.gz AYWMGWLBZHIZLV-LLVKDONJSA-N 1 0 386.485 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574762215 950704872 /nfs/dbraw/zinc/70/48/72/950704872.db2.gz XJTWOMCMIOYZJD-GFCCVEGCSA-N 1 0 381.444 1.178 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576215750 950708319 /nfs/dbraw/zinc/70/83/19/950708319.db2.gz BKXOHAMKIMUNJD-YPMHNXCESA-N 1 0 378.427 1.938 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574762626 950708384 /nfs/dbraw/zinc/70/83/84/950708384.db2.gz ZSNGQBZJPCBXMF-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccns1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574762538 950708798 /nfs/dbraw/zinc/70/87/98/950708798.db2.gz YQXHWBBREKZWPC-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2cnco2)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575006202 950714658 /nfs/dbraw/zinc/71/46/58/950714658.db2.gz SCXMZEXWZZHTBQ-GFCCVEGCSA-N 1 0 390.407 1.569 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccccc1 ZINC001575926751 950721254 /nfs/dbraw/zinc/72/12/54/950721254.db2.gz LKFSUIRNVZKXPH-RHSMWYFYSA-N 1 0 377.452 1.718 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COCC1CCCC1 ZINC001575927337 950742455 /nfs/dbraw/zinc/74/24/55/950742455.db2.gz PGTSFBHDTSBEDC-XJKSGUPXSA-N 1 0 385.472 1.292 20 0 GDADRO C[C@H](CN(C)C(=O)c1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574764763 950760201 /nfs/dbraw/zinc/76/02/01/950760201.db2.gz XXJIQYLUPORRNB-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCn1ccnc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574520960 950761857 /nfs/dbraw/zinc/76/18/57/950761857.db2.gz BRFYSXCUWMFEOW-CABCVRRESA-N 1 0 382.472 1.526 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574521010 950762900 /nfs/dbraw/zinc/76/29/00/950762900.db2.gz CGQVWQBXVHVDMC-TUJOMHJISA-N 1 0 376.486 1.194 20 0 GDADRO CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H]2C)c1 ZINC001575927976 950768011 /nfs/dbraw/zinc/76/80/11/950768011.db2.gz WVLLFKZKWSBYFM-TZMCWYRMSA-N 1 0 381.444 1.176 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CC1OCCCO1 ZINC001574521776 950786246 /nfs/dbraw/zinc/78/62/46/950786246.db2.gz HQCRYTAFICEFAY-KBPBESRZSA-N 1 0 388.472 1.393 20 0 GDADRO C[C@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001575929937 950791117 /nfs/dbraw/zinc/79/11/17/950791117.db2.gz CVKCEBRKXZCTRM-GXFFZTMASA-N 1 0 378.868 1.268 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575633773 950821606 /nfs/dbraw/zinc/82/16/06/950821606.db2.gz WZMFOEUZHKANDR-AWEZNQCLSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CC1OCCCO1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574523677 950826770 /nfs/dbraw/zinc/82/67/70/950826770.db2.gz PDODMTWBDCVURE-KGLIPLIRSA-N 1 0 388.472 1.393 20 0 GDADRO C[C@@H]1[C@@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575933709 950847984 /nfs/dbraw/zinc/84/79/84/950847984.db2.gz PHOGMMQTWNMHLX-ZBFHGGJFSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC001575011276 950856741 /nfs/dbraw/zinc/85/67/41/950856741.db2.gz OEZCWURWXXEPHP-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cncn1C ZINC001574524508 950861369 /nfs/dbraw/zinc/86/13/69/950861369.db2.gz XOXOEPPATVUMKW-KBPBESRZSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cncn1C ZINC001574524467 950863885 /nfs/dbraw/zinc/86/38/85/950863885.db2.gz WTCVIMXBAXXTQO-ZIAGYGMSSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cnoc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574524840 950872533 /nfs/dbraw/zinc/87/25/33/950872533.db2.gz ZQWHXPBWBXGIGS-NEPJUHHUSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cncs1 ZINC001574524846 950875716 /nfs/dbraw/zinc/87/57/16/950875716.db2.gz ZSXUNLDSUHTUEA-QWHCGFSZSA-N 1 0 385.497 1.939 20 0 GDADRO CC(C)[C@H](C(=O)N[C@H](C)CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001574771616 950930525 /nfs/dbraw/zinc/93/05/25/950930525.db2.gz HPLGKDNUWSGTIN-CXAGYDPISA-N 1 0 391.495 1.529 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574528608 950935618 /nfs/dbraw/zinc/93/56/18/950935618.db2.gz NQHLLMVXGZRAGC-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ncccn1 ZINC001574529075 950946718 /nfs/dbraw/zinc/94/67/18/950946718.db2.gz PRXJZFNSNBEWLJ-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575642870 950953163 /nfs/dbraw/zinc/95/31/63/950953163.db2.gz JABALINESBATAP-OXJNMPFZSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccn(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574529708 950954184 /nfs/dbraw/zinc/95/41/84/950954184.db2.gz RPWBHPUXGQPDRC-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)n1ncnc1C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529600 950955336 /nfs/dbraw/zinc/95/53/36/950955336.db2.gz RGPWRUILEFOKDR-NEPJUHHUSA-N 1 0 386.464 1.054 20 0 GDADRO CC(C)(CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573897319 950962817 /nfs/dbraw/zinc/96/28/17/950962817.db2.gz OJEDVAKCJDYANQ-AWEZNQCLSA-N 1 0 390.463 1.399 20 0 GDADRO CC(C)CCC[NH+]1CC(N2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001574195052 950969893 /nfs/dbraw/zinc/96/98/93/950969893.db2.gz HFAQWXCYEDLDMA-UHFFFAOYSA-N 1 0 386.504 1.073 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnns1 ZINC001574530513 950982549 /nfs/dbraw/zinc/98/25/49/950982549.db2.gz VDSYUCGUSKGDQT-NXEZZACHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCn1cc(Cl)cn1 ZINC001574530595 950987039 /nfs/dbraw/zinc/98/70/39/950987039.db2.gz CLFHDTTZCCQFFI-MNOVXSKESA-N 1 0 391.867 1.231 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CO1 ZINC001575938914 950995369 /nfs/dbraw/zinc/99/53/69/950995369.db2.gz NSFMNPFFIAKCIE-UKRRQHHQSA-N 1 0 390.463 1.711 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574530835 951002241 /nfs/dbraw/zinc/00/22/41/951002241.db2.gz XUJXRBPVJXEBAQ-OLZOCXBDSA-N 1 0 385.476 1.659 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2nonc2c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575025887 951134913 /nfs/dbraw/zinc/13/49/13/951134913.db2.gz CLQPNAVKZOSZTE-LBPRGKRZSA-N 1 0 392.423 1.653 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(-c2nn[nH]n2)c1Br)[N@H+](C)C1CC1 ZINC001575026221 951140082 /nfs/dbraw/zinc/14/00/82/951140082.db2.gz GZROSUZOPDIQGK-VIFPVBQESA-N 1 0 379.262 1.842 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c[nH]nc21)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575027973 951165158 /nfs/dbraw/zinc/16/51/58/951165158.db2.gz KDKXREQUFBCORR-NSHDSACASA-N 1 0 377.412 1.038 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575034493 951249388 /nfs/dbraw/zinc/24/93/88/951249388.db2.gz BTWUQVXOXGDQAM-NSHDSACASA-N 1 0 379.428 1.184 20 0 GDADRO C[C@@H](CNC(=O)c1ccns1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575034952 951259740 /nfs/dbraw/zinc/25/97/40/951259740.db2.gz RFWCZVBUNCJIED-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001575036530 951297762 /nfs/dbraw/zinc/29/77/62/951297762.db2.gz UJTXOWZQCXRZEJ-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC001575037550 951304627 /nfs/dbraw/zinc/30/46/27/951304627.db2.gz AJRDPIOHHAMRQB-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575042938 951375767 /nfs/dbraw/zinc/37/57/67/951375767.db2.gz DMFIJMLCPSNVQI-VXGBXAGGSA-N 1 0 381.444 1.008 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575043165 951382270 /nfs/dbraw/zinc/38/22/70/951382270.db2.gz GJCGFNIMTDKCOT-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575043364 951390304 /nfs/dbraw/zinc/39/03/04/951390304.db2.gz RGCDGRASZLIVIS-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575044643 951417466 /nfs/dbraw/zinc/41/74/66/951417466.db2.gz UFMHIFQNQQZXMF-LBPRGKRZSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(Cl)n1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575045123 951426109 /nfs/dbraw/zinc/42/61/09/951426109.db2.gz ZNAQARVEMNNZQC-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575052845 951470514 /nfs/dbraw/zinc/47/05/14/951470514.db2.gz PBIHZUYIDJEQHF-CYBMUJFWSA-N 1 0 382.472 1.726 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575055490 951508205 /nfs/dbraw/zinc/50/82/05/951508205.db2.gz VPBBKPCSHRNIML-NSHDSACASA-N 1 0 390.398 1.080 20 0 GDADRO CC(C)c1oncc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575055529 951508450 /nfs/dbraw/zinc/50/84/50/951508450.db2.gz WKQVXHLJONYJQT-JTQLQIEISA-N 1 0 375.458 1.948 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575060697 951545204 /nfs/dbraw/zinc/54/52/04/951545204.db2.gz DIGLMRVIKREAFX-SNVBAGLBSA-N 1 0 384.419 1.126 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575061642 951562150 /nfs/dbraw/zinc/56/21/50/951562150.db2.gz PEMOIFJVEBMXGP-GFCCVEGCSA-N 1 0 380.456 1.329 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575062449 951568238 /nfs/dbraw/zinc/56/82/38/951568238.db2.gz WGKQVELISDGSDK-JTQLQIEISA-N 1 0 384.419 1.126 20 0 GDADRO C[C@H](CNC(=O)c1nnc2ccccc2n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575066969 951601763 /nfs/dbraw/zinc/60/17/63/951601763.db2.gz OFOVKEXQFOKXDP-GFCCVEGCSA-N 1 0 389.423 1.113 20 0 GDADRO C[C@H](CNC(=O)c1ncoc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575067357 951608555 /nfs/dbraw/zinc/60/85/55/951608555.db2.gz RMQIAXUWEFUDSQ-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1ncoc1C1CC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067647 951619024 /nfs/dbraw/zinc/61/90/24/951619024.db2.gz WVUMPKXDMZYXLN-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)C1(CCF)CC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077019 951659034 /nfs/dbraw/zinc/65/90/34/951659034.db2.gz ASZVTMZBLRQRJM-LBPRGKRZSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@H](C[NH2+]C[C@@H](O)C1CCCCC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077328 951666588 /nfs/dbraw/zinc/66/65/88/951666588.db2.gz FSZMAMILNKOVAU-MLGOLLRUSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H](CNC(=O)CC1(O)CCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077385 951667333 /nfs/dbraw/zinc/66/73/33/951667333.db2.gz CFAYRZZBQYWCIY-LBPRGKRZSA-N 1 0 376.436 1.153 20 0 GDADRO C[C@@H](CNC(=O)[C@@]1(C)CCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078034 951677764 /nfs/dbraw/zinc/67/77/64/951677764.db2.gz JISYXYAZGBMJGT-XIKOKIGWSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078496 951681329 /nfs/dbraw/zinc/68/13/29/951681329.db2.gz MMVHQXXVGRPYOD-CYBMUJFWSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575079308 951691489 /nfs/dbraw/zinc/69/14/89/951691489.db2.gz CSGGQUWZWOBOBH-BLVKFPJESA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cncs1 ZINC001575079940 951701262 /nfs/dbraw/zinc/70/12/62/951701262.db2.gz TYSHIXYQMXQLSF-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[NH2+]C[C@H](O)C1CCCCC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575080187 951706792 /nfs/dbraw/zinc/70/67/92/951706792.db2.gz PKBCBMCTYCUZRK-LRDDRELGSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccn1 ZINC001575081230 951722787 /nfs/dbraw/zinc/72/27/87/951722787.db2.gz QGSRFGLJHNRHBE-CHWSQXEVSA-N 1 0 386.435 1.305 20 0 GDADRO CC(C)SCC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081714 951725985 /nfs/dbraw/zinc/72/59/85/951725985.db2.gz SAVJFQSTZXODKM-GFCCVEGCSA-N 1 0 380.493 1.989 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001575081820 951727055 /nfs/dbraw/zinc/72/70/55/951727055.db2.gz SLDBLNUQIMJACK-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1cncs1 ZINC001575082927 951738064 /nfs/dbraw/zinc/73/80/64/951738064.db2.gz ZNJOLPHFYLQWBE-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575088584 951740719 /nfs/dbraw/zinc/74/07/19/951740719.db2.gz BQSSFQXWONZMSK-DJJJIMSYSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ccns1 ZINC001575089280 951748200 /nfs/dbraw/zinc/74/82/00/951748200.db2.gz FBBQURWCXVPYSZ-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)c1cn[nH]c1)C1CC1 ZINC001575089871 951755062 /nfs/dbraw/zinc/75/50/62/951755062.db2.gz IBCHMFUJJKKCKQ-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001575090132 951756875 /nfs/dbraw/zinc/75/68/75/951756875.db2.gz JPJJLVBRSHUKSK-VAGZCVSGSA-N 1 0 388.497 1.195 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001575090952 951764812 /nfs/dbraw/zinc/76/48/12/951764812.db2.gz ONLJZTXLNSKOIH-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1CC(F)(F)C1 ZINC001575091233 951772466 /nfs/dbraw/zinc/77/24/66/951772466.db2.gz QGSWZYLFFZAPJP-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001575091276 951773936 /nfs/dbraw/zinc/77/39/36/951773936.db2.gz PPCGJHMPPSBYII-VIFPVBQESA-N 1 0 391.432 1.418 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)c1cnco1)C1CC1 ZINC001575091892 951785407 /nfs/dbraw/zinc/78/54/07/951785407.db2.gz YHUNPFGYWVNQEC-SFHVURJKSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1c(F)cncc1F ZINC001575093034 951795897 /nfs/dbraw/zinc/79/58/97/951795897.db2.gz HGXGBHHAOXELCK-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575093011 951796675 /nfs/dbraw/zinc/79/66/75/951796675.db2.gz GUKGNGXUSOMRRZ-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098738 951826555 /nfs/dbraw/zinc/82/65/55/951826555.db2.gz FTIWZQNZAQCSOG-STQMWFEESA-N 1 0 378.502 1.587 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100193 951845276 /nfs/dbraw/zinc/84/52/76/951845276.db2.gz RWJNWRXDHXPMCM-CYZMBNFOSA-N 1 0 386.485 1.297 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCCn1ccnc1 ZINC001575100559 951846997 /nfs/dbraw/zinc/84/69/97/951846997.db2.gz UAJHUGWJUBKOBT-ZDUSSCGKSA-N 1 0 388.501 1.542 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101379 951857501 /nfs/dbraw/zinc/85/75/01/951857501.db2.gz COKCNUHGESWHIK-BLLLJJGKSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCC1(F)F)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101467 951859681 /nfs/dbraw/zinc/85/96/81/951859681.db2.gz FDQAMDNGFUNWSJ-GXFFZTMASA-N 1 0 382.390 1.893 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)Cc1cncs1 ZINC001575101644 951862034 /nfs/dbraw/zinc/86/20/34/951862034.db2.gz HSPBBNNNQNRJPX-JTQLQIEISA-N 1 0 377.499 1.564 20 0 GDADRO C[C@H](CNC(=O)C1CCC(O)CC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101699 951864343 /nfs/dbraw/zinc/86/43/43/951864343.db2.gz IQCMNWIKLSYCCG-GRTSSRMGSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101905 951864658 /nfs/dbraw/zinc/86/46/58/951864658.db2.gz JRZAOZOZMAAJBZ-CYBMUJFWSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)CC1(O)CCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101996 951866648 /nfs/dbraw/zinc/86/66/48/951866648.db2.gz KFBFMMMNEJFCQQ-LBPRGKRZSA-N 1 0 376.436 1.153 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103829 951877643 /nfs/dbraw/zinc/87/76/43/951877643.db2.gz WJSFBZSXQGVXDV-HIFRSBDPSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)CCC1CCOCC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105213 951891906 /nfs/dbraw/zinc/89/19/06/951891906.db2.gz IAXHHNGXQPWILE-HNNXBMFYSA-N 1 0 386.500 1.915 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001575105903 951900189 /nfs/dbraw/zinc/90/01/89/951900189.db2.gz PHGFEKJWWOFERT-MGPUTAFESA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575106593 951905246 /nfs/dbraw/zinc/90/52/46/951905246.db2.gz SSGFBBMANLXOEQ-RBUKOAKNSA-N 1 0 388.447 1.370 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCCn1cccn1 ZINC001575108823 951926091 /nfs/dbraw/zinc/92/60/91/951926091.db2.gz NZFJBCKCSAJMQQ-OAHLLOKOSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)c1csnn1)C1CC1 ZINC001575113373 951938969 /nfs/dbraw/zinc/93/89/69/951938969.db2.gz AEMAVMDYEJXNAJ-KRWDZBQOSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1ocnc1C1CC1 ZINC001575113974 951950961 /nfs/dbraw/zinc/95/09/61/951950961.db2.gz JNFIKHUFUWRVRB-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(N(C)C)c1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575114834 951960139 /nfs/dbraw/zinc/96/01/39/951960139.db2.gz ULWORCBGXXDWGU-ZDUSSCGKSA-N 1 0 382.472 1.511 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)no1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115799 951966541 /nfs/dbraw/zinc/96/65/41/951966541.db2.gz YXLYBGUDBQUMNI-GFCCVEGCSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1csc(C2CC2)n1 ZINC001575117261 951977606 /nfs/dbraw/zinc/97/76/06/951977606.db2.gz LWRCFGNDTMTULE-JTQLQIEISA-N 1 0 386.485 1.684 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1nnc(C2CC2)s1 ZINC001575117807 951981268 /nfs/dbraw/zinc/98/12/68/951981268.db2.gz PWWRWJRQDICSNP-VIFPVBQESA-N 1 0 387.473 1.079 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1csc(C2CC2)n1 ZINC001575118820 951985255 /nfs/dbraw/zinc/98/52/55/951985255.db2.gz TWEDGFMHKMLOFA-SNVBAGLBSA-N 1 0 386.485 1.684 20 0 GDADRO CC(C)c1nnc(C[NH2+]C[C@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)s1 ZINC001575119659 951991044 /nfs/dbraw/zinc/99/10/44/951991044.db2.gz ZYRGTQIAOFMFIV-JTQLQIEISA-N 1 0 389.489 1.325 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575146199 952191100 /nfs/dbraw/zinc/19/11/00/952191100.db2.gz HVELGZLJLOUVSP-LBPRGKRZSA-N 1 0 380.456 1.463 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575147935 952201955 /nfs/dbraw/zinc/20/19/55/952201955.db2.gz XBCNHHGEARHRTF-GFCCVEGCSA-N 1 0 378.440 1.529 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccc2c(c1)CCN2C ZINC001575148246 952203837 /nfs/dbraw/zinc/20/38/37/952203837.db2.gz ZBNHEXSZIXARKG-CYBMUJFWSA-N 1 0 392.467 1.249 20 0 GDADRO C[C@H](CNc1cncc(-c2nn[nH]n2)n1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575158467 952271860 /nfs/dbraw/zinc/27/18/60/952271860.db2.gz VQWLABILGDQBOO-CQSZACIVSA-N 1 0 387.492 1.182 20 0 GDADRO C[C@@H](CNc1snc(Cl)c1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575177131 952397839 /nfs/dbraw/zinc/39/78/39/952397839.db2.gz GSSQZLDRILLGPH-IUCAKERBSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575196880 952478089 /nfs/dbraw/zinc/47/80/89/952478089.db2.gz KPNJWOFFKWBWOA-CQSZACIVSA-N 1 0 380.452 1.887 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001575197323 952482777 /nfs/dbraw/zinc/48/27/77/952482777.db2.gz UBNSBQFPGHSHPL-PXAZEXFGSA-N 1 0 381.440 1.462 20 0 GDADRO C[C@@H]1CN(C(=O)c2cscn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571117716 952484586 /nfs/dbraw/zinc/48/45/86/952484586.db2.gz OSTNIJMVCIFLFP-KOLCDFICSA-N 1 0 375.483 1.635 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575199212 952488857 /nfs/dbraw/zinc/48/88/57/952488857.db2.gz AQLXVROHFAXENF-UONOGXRCSA-N 1 0 382.472 1.405 20 0 GDADRO O=C(c1ccccn1)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571118725 952489692 /nfs/dbraw/zinc/48/96/92/952489692.db2.gz ZHMXVTHVVHRIBE-UHFFFAOYSA-N 1 0 375.436 1.610 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1cccnc1 ZINC001571120091 952498411 /nfs/dbraw/zinc/49/84/11/952498411.db2.gz JGUOQKBXKVJMMQ-LCSDZXHASA-N 1 0 376.424 1.011 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575201531 952505047 /nfs/dbraw/zinc/50/50/47/952505047.db2.gz IMJPNSAKRBCDRJ-XJKSGUPXSA-N 1 0 380.456 1.159 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1n[nH]cc1F ZINC001571120658 952507741 /nfs/dbraw/zinc/50/77/41/952507741.db2.gz OWXSTORCZCCGAZ-LDYMZIIASA-N 1 0 376.421 1.183 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@@H]1CC[C@@H](F)C1 ZINC001571121085 952514469 /nfs/dbraw/zinc/51/44/69/952514469.db2.gz WDNLPXAEQICJSE-SYQHCUMBSA-N 1 0 376.411 1.881 20 0 GDADRO CCN(C(=O)[C@@H]1CC1(F)F)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571121059 952514821 /nfs/dbraw/zinc/51/48/21/952514821.db2.gz VRKYHDRDYWUTBU-GJZGRUSLSA-N 1 0 376.411 1.945 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CCC1(F)F)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571121139 952516322 /nfs/dbraw/zinc/51/63/22/952516322.db2.gz WYXCQUQSTIMASB-IAQYHMDHSA-N 1 0 376.411 1.849 20 0 GDADRO CC(F)(F)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001575211156 952544770 /nfs/dbraw/zinc/54/47/70/952544770.db2.gz OFYGOVHVZFFOPG-ZSOGYDGISA-N 1 0 380.374 1.455 20 0 GDADRO Cc1cccnc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C ZINC001571127407 952555742 /nfs/dbraw/zinc/55/57/42/952555742.db2.gz GLDUUEIDSDJRRX-YOEHRIQHSA-N 1 0 377.452 1.963 20 0 GDADRO O=C(c1cccnc1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571128369 952566081 /nfs/dbraw/zinc/56/60/81/952566081.db2.gz RPBUGYVZLYUTLO-INIZCTEOSA-N 1 0 377.452 1.904 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571134166 952586445 /nfs/dbraw/zinc/58/64/45/952586445.db2.gz BJDLDJHQWLVQHX-HIFRSBDPSA-N 1 0 378.440 1.155 20 0 GDADRO Cc1cc(N2C[C@@H]3[C@@H](CNC(=O)c4cccn4C)[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134374 952589416 /nfs/dbraw/zinc/58/94/16/952589416.db2.gz FAVQDHQIPZEBGW-XMQYKBBCSA-N 1 0 378.440 1.021 20 0 GDADRO Cc1cc(N2CCC(N(C)C(=O)c3ccccn3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134748 952594809 /nfs/dbraw/zinc/59/48/09/952594809.db2.gz KYAHEKPCICKOBF-UHFFFAOYSA-N 1 0 378.440 1.706 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@H](C)c3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135522 952604966 /nfs/dbraw/zinc/60/49/66/952604966.db2.gz WEANAVQOHGBDOH-DZGCQCFKSA-N 1 0 378.440 1.464 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC001571135605 952606190 /nfs/dbraw/zinc/60/61/90/952606190.db2.gz YPJCKPMWSSIRDD-CZUORRHYSA-N 1 0 378.440 1.297 20 0 GDADRO NC(=O)c1cccc(C[N@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)C2CC2)c1 ZINC001571135921 952610216 /nfs/dbraw/zinc/61/02/16/952610216.db2.gz IBHCLTNCDVISTD-SFHVURJKSA-N 1 0 378.436 1.664 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Cc1nccc(C(=O)NC2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001571146636 952651407 /nfs/dbraw/zinc/65/14/07/952651407.db2.gz KMAYSFIQZCORPJ-UHFFFAOYSA-N 1 0 379.428 1.149 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)CCn1cccc1 ZINC001571150837 952670856 /nfs/dbraw/zinc/67/08/56/952670856.db2.gz GZQHUMMISVBDGY-QAPCUYQASA-N 1 0 379.468 1.838 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)C1CCN(C(=O)C(F)F)CC1 ZINC001571155493 952698252 /nfs/dbraw/zinc/69/82/52/952698252.db2.gz ULHIPTGJKLBNDP-UHFFFAOYSA-N 1 0 380.399 1.563 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)ncn1 ZINC001571156670 952703347 /nfs/dbraw/zinc/70/33/47/952703347.db2.gz GRWSZFOVWYOKBF-ZDUSSCGKSA-N 1 0 379.428 1.067 20 0 GDADRO Cc1cc(N[C@H]2C[C@@H](NC(=O)c3ncoc3C3CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571158650 952713479 /nfs/dbraw/zinc/71/34/79/952713479.db2.gz LNNCLGALSIGPQZ-TXEJJXNPSA-N 1 0 380.412 1.230 20 0 GDADRO Oc1ccc(CN2CC[NH+](C[C@@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC001571165851 952756260 /nfs/dbraw/zinc/75/62/60/952756260.db2.gz HPQVPTUIVHOCBM-LJQANCHMSA-N 1 0 380.452 1.424 20 0 GDADRO CCc1c(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cnn1C ZINC001571166569 952762996 /nfs/dbraw/zinc/76/29/96/952762996.db2.gz NEICICDZPSXWRS-CQSZACIVSA-N 1 0 380.456 1.167 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571167022 952769383 /nfs/dbraw/zinc/76/93/83/952769383.db2.gz SVQZQMWCORIZBT-QSAAJNHFSA-N 1 0 380.452 1.027 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571167084 952770098 /nfs/dbraw/zinc/77/00/98/952770098.db2.gz VDGMCHPMYVLPOF-GUYCJALGSA-N 1 0 380.456 1.375 20 0 GDADRO CCN(C(=O)c1n[nH]cc1C)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571167231 952771401 /nfs/dbraw/zinc/77/14/01/952771401.db2.gz ZHIKCIFMLGQYCM-MRXNPFEDSA-N 1 0 380.456 1.635 20 0 GDADRO CN(C(=O)c1cc[nH]n1)C1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571169366 952773032 /nfs/dbraw/zinc/77/30/32/952773032.db2.gz ATILEANFHXHQNX-UHFFFAOYSA-N 1 0 380.456 1.763 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169407 952773364 /nfs/dbraw/zinc/77/33/64/952773364.db2.gz BSYZLHRATJJLTD-HNNXBMFYSA-N 1 0 380.456 1.492 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n(C)n1 ZINC001571169400 952773575 /nfs/dbraw/zinc/77/35/75/952773575.db2.gz BLWFVXIRSMSXQP-INIZCTEOSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1C ZINC001571169418 952773694 /nfs/dbraw/zinc/77/36/94/952773694.db2.gz BZLGFLDKAYETTP-ZIAGYGMSSA-N 1 0 380.456 1.293 20 0 GDADRO Cc1ccnn1CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169439 952773910 /nfs/dbraw/zinc/77/39/10/952773910.db2.gz CNBUZNZPZKBKGM-QGZVFWFLSA-N 1 0 380.456 1.105 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)c(C)[nH]1 ZINC001571169489 952774762 /nfs/dbraw/zinc/77/47/62/952774762.db2.gz DWQLOEOFORCEEO-CQSZACIVSA-N 1 0 380.456 1.654 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571169578 952775943 /nfs/dbraw/zinc/77/59/43/952775943.db2.gz GYHDGLWESRXZJE-OAHLLOKOSA-N 1 0 380.456 1.683 20 0 GDADRO C[C@H](NC(=O)c1ccn[nH]1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571169663 952777320 /nfs/dbraw/zinc/77/73/20/952777320.db2.gz JXQYCCQNXYQEPU-ZDUSSCGKSA-N 1 0 380.456 1.620 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169780 952778311 /nfs/dbraw/zinc/77/83/11/952778311.db2.gz NDLLXGFZPOEDJC-DOMZBBRYSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)c1 ZINC001571170464 952786133 /nfs/dbraw/zinc/78/61/33/952786133.db2.gz VFEKGJQDKZMCKI-WKILWMFISA-N 1 0 380.456 1.729 20 0 GDADRO Cc1cc[nH]c1C(=O)N[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571170489 952786176 /nfs/dbraw/zinc/78/61/76/952786176.db2.gz VIJKHVDOTGRJTM-ZIAGYGMSSA-N 1 0 380.456 1.994 20 0 GDADRO Cc1[nH]ccc1C(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571170904 952790994 /nfs/dbraw/zinc/79/09/94/952790994.db2.gz ZEINPGKICQFHPE-AWEZNQCLSA-N 1 0 380.456 1.853 20 0 GDADRO O=C(Cc1cc[nH]n1)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571172390 952806383 /nfs/dbraw/zinc/80/63/83/952806383.db2.gz USWUMBDGHYQFJG-ZBFHGGJFSA-N 1 0 380.456 1.207 20 0 GDADRO Cn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001571172594 952808187 /nfs/dbraw/zinc/80/81/87/952808187.db2.gz XYZOVNXHWKGPEJ-QGZVFWFLSA-N 1 0 380.456 1.385 20 0 GDADRO Cc1cc(N2CC[C@H](CNC(=O)c3ccc(F)cc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571178890 952849354 /nfs/dbraw/zinc/84/93/54/952849354.db2.gz XCACBXBYNBPCSN-CYBMUJFWSA-N 1 0 381.415 1.966 20 0 GDADRO Cc1nocc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571179234 952850805 /nfs/dbraw/zinc/85/08/05/952850805.db2.gz AJURQJZDCYTFDB-IAGOWNOFSA-N 1 0 381.440 1.994 20 0 GDADRO Cc1cc(N[C@@H](C)[C@H]2CCN(C(=O)Cc3ccco3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571179411 952852853 /nfs/dbraw/zinc/85/28/53/952852853.db2.gz DIFKRXJDNXHDKL-KBPBESRZSA-N 1 0 381.440 1.477 20 0 GDADRO Cc1cccc([C@@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571179544 952853659 /nfs/dbraw/zinc/85/36/59/952853659.db2.gz FPDPKTWLMOYYBJ-CSMYWGQOSA-N 1 0 381.440 1.039 20 0 GDADRO Cc1ocnc1C(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571179923 952856324 /nfs/dbraw/zinc/85/63/24/952856324.db2.gz KHBJPNPDFRIPDG-SWLSCSKDSA-N 1 0 381.440 1.804 20 0 GDADRO CCc1oncc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571182815 952869680 /nfs/dbraw/zinc/86/96/80/952869680.db2.gz GNJCSCJGQQTNNL-OAHLLOKOSA-N 1 0 381.440 1.764 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCCN1C(=O)c1cocn1 ZINC001571182993 952871605 /nfs/dbraw/zinc/87/16/05/952871605.db2.gz LPGCISASLZXROT-INIZCTEOSA-N 1 0 381.440 1.981 20 0 GDADRO CCc1nc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)co1 ZINC001571183199 952875583 /nfs/dbraw/zinc/87/55/83/952875583.db2.gz SHVCMGRMFKJWER-GFCCVEGCSA-N 1 0 381.440 1.667 20 0 GDADRO COC[C@H](C)[N@@H+]1Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2C1 ZINC001571183291 952876913 /nfs/dbraw/zinc/87/69/13/952876913.db2.gz VZQFLICAEORPEB-LBPRGKRZSA-N 1 0 381.440 1.475 20 0 GDADRO CCn1ccc(C(=O)N(C)C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001571185764 952903303 /nfs/dbraw/zinc/90/33/03/952903303.db2.gz PICKDHLHWOZXRT-UHFFFAOYSA-N 1 0 381.444 1.219 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)c1nccs1 ZINC001571189693 952933926 /nfs/dbraw/zinc/93/39/26/952933926.db2.gz RUCLMZCBILAWGJ-QKDCVEJESA-N 1 0 381.465 1.431 20 0 GDADRO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571190829 952944776 /nfs/dbraw/zinc/94/47/76/952944776.db2.gz MWMDAUVNCFKFFT-LVQVYYBASA-N 1 0 381.484 1.901 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cncnc1 ZINC001571195622 952978159 /nfs/dbraw/zinc/97/81/59/952978159.db2.gz DBGDPIUASRDJDC-BDJLRTHQSA-N 1 0 382.403 1.189 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C1CC(N(C)C(=O)c2ccoc2)C1 ZINC001571200312 953008885 /nfs/dbraw/zinc/00/88/85/953008885.db2.gz HNAUEAMAYSVAFA-UHFFFAOYSA-N 1 0 382.424 1.861 20 0 GDADRO CCCc1cc(C(=O)N2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2C)no1 ZINC001571200831 953013133 /nfs/dbraw/zinc/01/31/33/953013133.db2.gz MGHCYTFTHWJVGC-RYUDHWBXSA-N 1 0 382.428 1.339 20 0 GDADRO Cc1cnoc1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571202402 953024339 /nfs/dbraw/zinc/02/43/39/953024339.db2.gz ULTKVMFPBVOYHR-OLZOCXBDSA-N 1 0 382.428 1.654 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@@H]1C[NH2+]Cc1cc(C2CC2)no1 ZINC001571205751 953041373 /nfs/dbraw/zinc/04/13/73/953041373.db2.gz LJOSPQJOACQPAK-CYBMUJFWSA-N 1 0 382.428 1.455 20 0 GDADRO CC1(C)CN(C(=O)C2=CCOCC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571210762 953074031 /nfs/dbraw/zinc/07/40/31/953074031.db2.gz WMWDNXVSZCUUPR-KRWDZBQOSA-N 1 0 382.468 1.540 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1C[C@@]12CCOC2 ZINC001571213221 953093283 /nfs/dbraw/zinc/09/32/83/953093283.db2.gz PUFQQNCAQBWVRZ-XNWPKKHHSA-N 1 0 382.468 1.278 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)c1cocn1 ZINC001571217597 953108993 /nfs/dbraw/zinc/10/89/93/953108993.db2.gz OJTXUILCSGDKJK-ZSOGYDGISA-N 1 0 383.387 1.102 20 0 GDADRO Cn1cccc1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571229728 953171442 /nfs/dbraw/zinc/17/14/42/953171442.db2.gz LIOKXTWNNXNMGI-CQSZACIVSA-N 1 0 383.431 1.596 20 0 GDADRO O=C(NC[C@H]1CC[N@H+]1CCCc1cccc(F)c1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571229843 953173115 /nfs/dbraw/zinc/17/31/15/953173115.db2.gz PDEIFTJPUSASRB-MRXNPFEDSA-N 1 0 383.431 1.771 20 0 GDADRO Cc1cc(N2CCC(NC(=O)[C@H]3C[C@@]34CCOC4)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232878 953189310 /nfs/dbraw/zinc/18/93/10/953189310.db2.gz LQDCGHCPBQIMHO-DNVCBOLYSA-N 1 0 383.456 1.082 20 0 GDADRO Cc1cc(NC2(C)CCN(C(=O)C3=COCCC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232936 953189839 /nfs/dbraw/zinc/18/98/39/953189839.db2.gz MLOLZAHOWCIBOV-UHFFFAOYSA-N 1 0 383.456 1.479 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cc1cncs1 ZINC001571233988 953197397 /nfs/dbraw/zinc/19/73/97/953197397.db2.gz JUQYHBMKZINTRS-DOMZBBRYSA-N 1 0 383.481 1.645 20 0 GDADRO Cc1ncsc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571234002 953197814 /nfs/dbraw/zinc/19/78/14/953197814.db2.gz KHKWDHRYFBVEGT-ABAIWWIYSA-N 1 0 383.481 1.882 20 0 GDADRO Cc1[nH]nc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)c1C ZINC001571239149 953236266 /nfs/dbraw/zinc/23/62/66/953236266.db2.gz GMTQCKKEGMRUST-CQSZACIVSA-N 1 0 384.419 1.350 20 0 GDADRO C[C@H]([NH2+]Cc1cncc(F)c1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571239200 953237022 /nfs/dbraw/zinc/23/70/22/953237022.db2.gz HOIUTEHGRIBKRM-WCQYABFASA-N 1 0 384.419 1.369 20 0 GDADRO C[C@H]([NH2+]Cc1cncc(F)c1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571239198 953237237 /nfs/dbraw/zinc/23/72/37/953237237.db2.gz HOIUTEHGRIBKRM-AAEUAGOBSA-N 1 0 384.419 1.369 20 0 GDADRO Cc1c[nH]nc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239628 953241208 /nfs/dbraw/zinc/24/12/08/953241208.db2.gz OJYUXQJNRXPTEF-YEORSEQZSA-N 1 0 384.419 1.336 20 0 GDADRO Cn1nccc1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571241491 953246818 /nfs/dbraw/zinc/24/68/18/953246818.db2.gz AWXRPKVKHHGNGM-UHFFFAOYSA-N 1 0 384.419 1.038 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cn[nH]c1 ZINC001571241520 953247301 /nfs/dbraw/zinc/24/73/01/953247301.db2.gz BWHFZKQRKPJROA-BLLLJJGKSA-N 1 0 384.419 1.417 20 0 GDADRO Cc1ncc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)[nH]1 ZINC001571241506 953247374 /nfs/dbraw/zinc/24/73/74/953247374.db2.gz BOAKWQDYBXULAO-YEORSEQZSA-N 1 0 384.419 1.336 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1n[nH]cc1F ZINC001571242262 953254438 /nfs/dbraw/zinc/25/44/38/953254438.db2.gz XZJABYZVTIUDDB-WCQYABFASA-N 1 0 384.419 1.417 20 0 GDADRO CCc1nnsc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571245212 953271248 /nfs/dbraw/zinc/27/12/48/953271248.db2.gz PJXMQTGVJCGTTM-CYBMUJFWSA-N 1 0 384.469 1.285 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571245913 953278727 /nfs/dbraw/zinc/27/87/27/953278727.db2.gz OLAVLLIPJFUFCX-SMDDNHRTSA-N 1 0 384.469 1.501 20 0 GDADRO CO[C@H](C(=O)N1CCC([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1)C1CC1 ZINC001571247733 953285395 /nfs/dbraw/zinc/28/53/95/953285395.db2.gz CSRGKCLQDNCWKY-SFHVURJKSA-N 1 0 384.484 1.715 20 0 GDADRO CC1(C)CO[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571247932 953288215 /nfs/dbraw/zinc/28/82/15/953288215.db2.gz ISWSHZNTBLDCKX-ULQDDVLXSA-N 1 0 384.484 1.809 20 0 GDADRO CO[C@@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571247986 953288324 /nfs/dbraw/zinc/28/83/24/953288324.db2.gz KJYIBBZIYOEPIW-ZWKOTPCHSA-N 1 0 384.484 1.762 20 0 GDADRO Cc1ncoc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571248058 953289341 /nfs/dbraw/zinc/28/93/41/953289341.db2.gz CZKAZJQVYZPGMW-TZMCWYRMSA-N 1 0 384.444 1.570 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H]2[C@@H]1CCN2Cc1ccns1 ZINC001571248205 953290875 /nfs/dbraw/zinc/29/08/75/953290875.db2.gz NKFMVPBOHOAZLC-CABCVRRESA-N 1 0 384.469 1.530 20 0 GDADRO O=C(c1ccns1)N1CCC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571248282 953291531 /nfs/dbraw/zinc/29/15/31/953291531.db2.gz PJDLWMDUKRBVSM-LBPRGKRZSA-N 1 0 384.469 1.495 20 0 GDADRO Cc1ncc(C[N@@H+]2CCC3(CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C3)C2)s1 ZINC001571248460 953293222 /nfs/dbraw/zinc/29/32/22/953293222.db2.gz UXXZYZNVPNQVMD-UHFFFAOYSA-N 1 0 384.469 1.308 20 0 GDADRO O=C(C[C@@H]1CCCOC1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571249636 953306027 /nfs/dbraw/zinc/30/60/27/953306027.db2.gz KAMNTEINIRFRPD-DLBZAZTESA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H](Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001571249751 953307492 /nfs/dbraw/zinc/30/74/92/953307492.db2.gz LIFRRYRYRTXKQR-GJZGRUSLSA-N 1 0 384.488 1.539 20 0 GDADRO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)no1 ZINC001571250298 953310652 /nfs/dbraw/zinc/31/06/52/953310652.db2.gz QLPVOSQNCGZVNS-CHWSQXEVSA-N 1 0 384.444 1.522 20 0 GDADRO Cc1nc(C)c(C[NH2+]C[C@@H]2CCCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)o1 ZINC001571250385 953311651 /nfs/dbraw/zinc/31/16/51/953311651.db2.gz RCOARVCGNXKOGI-AWEZNQCLSA-N 1 0 384.444 1.584 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCCO2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571250861 953313121 /nfs/dbraw/zinc/31/31/21/953313121.db2.gz UKSSWIOOHXNLOT-OLMNPRSZSA-N 1 0 384.484 1.905 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCCO2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571250860 953313502 /nfs/dbraw/zinc/31/35/02/953313502.db2.gz UKSSWIOOHXNLOT-JLSDUUJJSA-N 1 0 384.484 1.905 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)C2CC2)C1 ZINC001571251039 953314643 /nfs/dbraw/zinc/31/46/43/953314643.db2.gz VGTULBNWXNMKSK-UONOGXRCSA-N 1 0 384.484 1.860 20 0 GDADRO Cc1cnc(C[NH2+][C@H](C)C2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)o1 ZINC001571251715 953318439 /nfs/dbraw/zinc/31/84/39/953318439.db2.gz UZVMJYNAGVGAAL-GFCCVEGCSA-N 1 0 384.444 1.522 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1cnco1 ZINC001571254414 953339276 /nfs/dbraw/zinc/33/92/76/953339276.db2.gz GKHBVLVLTVABLD-ABAIWWIYSA-N 1 0 385.403 1.682 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)no1 ZINC001571255401 953349001 /nfs/dbraw/zinc/34/90/01/953349001.db2.gz ONMISYFGPOCJOD-HWPZZCPQSA-N 1 0 385.403 1.553 20 0 GDADRO Cc1ncoc1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC001571255679 953352140 /nfs/dbraw/zinc/35/21/40/953352140.db2.gz RXEKGNDUTXNTAU-YGRLFVJLSA-N 1 0 385.403 1.695 20 0 GDADRO CC(C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C(F)(F)F ZINC001571255924 953359542 /nfs/dbraw/zinc/35/95/42/953359542.db2.gz WQXMPGIJSLXHIX-NEPJUHHUSA-N 1 0 385.394 1.833 20 0 GDADRO C[C@H](CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)[N@H+](C)Cc1ccccc1 ZINC000874393687 956146432 /nfs/dbraw/zinc/14/64/32/956146432.db2.gz NPKOCBKVOJJOFP-MRXNPFEDSA-N 1 0 376.501 1.745 20 0 GDADRO O=C([O-])[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C1CC1 ZINC000923530283 957128436 /nfs/dbraw/zinc/12/84/36/957128436.db2.gz YUZACWZYJUXZMM-VQTJNVASSA-N 1 0 385.508 1.941 20 0 GDADRO O=C([O-])C1CC[NH+](CCCNC(=O)[C@H]2CCCCN2Cc2ccncc2)CC1 ZINC001354072152 962715316 /nfs/dbraw/zinc/71/53/16/962715316.db2.gz INUVCRCQYSZMJI-LJQANCHMSA-N 1 0 388.512 1.739 20 0 GDADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001331844971 969718753 /nfs/dbraw/zinc/71/87/53/969718753.db2.gz DWXMZPWTGXPWSE-UHFFFAOYSA-N 1 0 389.500 1.417 20 0 GDADRO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001332945954 969724268 /nfs/dbraw/zinc/72/42/68/969724268.db2.gz JTOABNQFHRZTSS-NRSFXHEJSA-N 1 0 394.560 1.932 20 0 GDADRO C[C@@H](CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC001592659899 978642619 /nfs/dbraw/zinc/64/26/19/978642619.db2.gz IZEMIKOWNOQUNN-DLBZAZTESA-N 1 0 388.512 1.624 20 0 GDADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1)c1ccco1 ZINC001594995218 982890041 /nfs/dbraw/zinc/89/00/41/982890041.db2.gz UKSPSZXXBTVGKO-CABCVRRESA-N 1 0 380.489 1.899 20 0 GDADRO CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001596265242 983683428 /nfs/dbraw/zinc/68/34/28/983683428.db2.gz KIMOWKMCYTVMEY-GJZGRUSLSA-N 1 0 375.460 1.512 20 0 GDADRO CC[NH+]1CCC(C[N@@H+]2C[C@H](C(=O)[O-])C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001596403323 983963075 /nfs/dbraw/zinc/96/30/75/983963075.db2.gz AZXDZLFBMVEPKK-MRXNPFEDSA-N 1 0 381.517 1.972 20 0 GDADRO C[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2C[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@H]1O ZINC001594542327 986182712 /nfs/dbraw/zinc/18/27/12/986182712.db2.gz KHRPXFLGDKGVRF-ITKAJJHTSA-N 1 0 376.497 1.790 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001598225257 990914660 /nfs/dbraw/zinc/91/46/60/990914660.db2.gz FWDGKNWFDUMGCC-UHFFFAOYSA-N 1 0 377.894 1.152 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001598225434 990915872 /nfs/dbraw/zinc/91/58/72/990915872.db2.gz KUYGBMCJLCORCF-UHFFFAOYSA-N 1 0 393.509 1.652 20 0 GDADRO C[NH+]1CCC(C[NH2+][C@@H](Cc2ccc(F)cc2)C(=O)[O-])(N2CCOCC2)CC1 ZINC001598583589 993352112 /nfs/dbraw/zinc/35/21/12/993352112.db2.gz DJFFNDYOPCIHSE-SFHVURJKSA-N 1 0 379.476 1.208 20 0 GDADRO C[N@@H+]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C(=O)[O-])C1 ZINC001598606869 993676831 /nfs/dbraw/zinc/67/68/31/993676831.db2.gz LCPRJKCQWSFRDS-IBGZPJMESA-N 1 0 388.512 1.556 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC[N@@H+]1C ZINC001594195065 998757701 /nfs/dbraw/zinc/75/77/01/998757701.db2.gz ZEBNBENVGFIABG-PBHICJAKSA-N 1 0 375.473 1.107 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(-c3nn[nH]n3)ccn2)cc1OC ZINC001579995511 1126215237 /nfs/dbraw/zinc/21/52/37/1126215237.db2.gz IWFXGDDDTGBTCU-LJQANCHMSA-N 1 0 384.440 1.362 20 0 GDADRO Clc1snnc1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000158690948 530534902 /nfs/dbraw/zinc/53/49/02/530534902.db2.gz CTEHTYNLSXFVBH-UHFFFAOYSA-N 1 0 381.893 1.140 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CCC[NH3+] ZINC000158873874 530537035 /nfs/dbraw/zinc/53/70/35/530537035.db2.gz FWPJPGRVAOQUEA-NSHDSACASA-N 1 0 377.304 1.666 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cnc3c(c2)c(C)nn3C)s1 ZINC000159021623 530538878 /nfs/dbraw/zinc/53/88/78/530538878.db2.gz OKFASVJNBPRQRT-UHFFFAOYSA-N 1 0 379.511 1.715 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H](C)C[NH+]2CCCCC2)s1 ZINC000159104028 530539981 /nfs/dbraw/zinc/53/99/81/530539981.db2.gz OMCQWROXWPBWAQ-CYBMUJFWSA-N 1 0 388.559 1.508 20 0 GDADRO [NH3+]C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CC1 ZINC000159266563 530541889 /nfs/dbraw/zinc/54/18/89/530541889.db2.gz UFAGZOWNTDNFLZ-CYBMUJFWSA-N 1 0 375.288 1.217 20 0 GDADRO CC(C)[NH+](CCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(C)C ZINC000012141311 530554847 /nfs/dbraw/zinc/55/48/47/530554847.db2.gz YVGBWNQYRSYYFJ-UHFFFAOYSA-N 1 0 391.559 1.334 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1Br ZINC000161514670 530561541 /nfs/dbraw/zinc/56/15/41/530561541.db2.gz WHYCDGHQPBJIJA-ZDUSSCGKSA-N 1 0 381.292 1.049 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000161641732 530562477 /nfs/dbraw/zinc/56/24/77/530562477.db2.gz LEAIEQVXFZMBSU-OAHLLOKOSA-N 1 0 378.897 1.991 20 0 GDADRO CN(C)C(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000016339808 530564901 /nfs/dbraw/zinc/56/49/01/530564901.db2.gz SWOQGBNTAVPGFA-OAHLLOKOSA-N 1 0 385.302 1.989 20 0 GDADRO CN1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@H](C[NH3+])C1 ZINC000162312917 530567479 /nfs/dbraw/zinc/56/74/79/530567479.db2.gz ZXEXSYFJPHEOAI-OAHLLOKOSA-N 1 0 378.274 1.350 20 0 GDADRO Cc1c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000163025918 530572904 /nfs/dbraw/zinc/57/29/04/530572904.db2.gz NGMALSKSQWRLHE-IINYFYTJSA-N 1 0 394.273 1.526 20 0 GDADRO CNC(=O)CC[N@H+](C)CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000170783485 530589158 /nfs/dbraw/zinc/58/91/58/530589158.db2.gz VCZWDNLAIFVOKG-UHFFFAOYSA-N 1 0 386.290 1.354 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000027763842 530589726 /nfs/dbraw/zinc/58/97/26/530589726.db2.gz ZVSGQXLEXCGVGR-ZDUSSCGKSA-N 1 0 380.539 1.980 20 0 GDADRO Cn1c(=O)c2sccc2nc1SCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000028420736 530592028 /nfs/dbraw/zinc/59/20/28/530592028.db2.gz LPUWQNDYQXRJKS-UHFFFAOYSA-N 1 0 378.523 1.830 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000171193130 530595536 /nfs/dbraw/zinc/59/55/36/530595536.db2.gz 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GDADRO O=C(NC[C@@H]1CCC[NH2+]1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000178716252 530726406 /nfs/dbraw/zinc/72/64/06/530726406.db2.gz UYZCVQYFQARTMZ-AWEZNQCLSA-N 1 0 379.507 1.708 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000057554293 530726755 /nfs/dbraw/zinc/72/67/55/530726755.db2.gz MPSAFWOLBIAOBR-GFCCVEGCSA-N 1 0 394.269 1.527 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000178783611 530728399 /nfs/dbraw/zinc/72/83/99/530728399.db2.gz IFBGCDOOJQHDIU-AWEZNQCLSA-N 1 0 385.917 1.996 20 0 GDADRO O=C(CC[NH2+]Cc1ccc(Br)o1)N1CCN(c2ncccn2)CC1 ZINC000178902632 530729984 /nfs/dbraw/zinc/72/99/84/530729984.db2.gz SOEXYLRRUFTLER-UHFFFAOYSA-N 1 0 394.273 1.661 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521626 530750845 /nfs/dbraw/zinc/75/08/45/530750845.db2.gz RBKVJLSUVXDFKO-ZBFHGGJFSA-N 1 0 385.555 1.500 20 0 GDADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1nc2ncc(Br)cn2n1 ZINC000065761280 530755536 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CC(C)[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000067095280 530772475 /nfs/dbraw/zinc/77/24/75/530772475.db2.gz FRYBUBMGWHXRPX-UHFFFAOYSA-N 1 0 375.516 1.022 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)NCC[NH+](C)C)cc1Br ZINC000180970391 530774751 /nfs/dbraw/zinc/77/47/51/530774751.db2.gz LKRTYJSQPGDIFI-UHFFFAOYSA-N 1 0 378.292 1.556 20 0 GDADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCS(=O)(=O)CC1 ZINC000067550746 530776730 /nfs/dbraw/zinc/77/67/30/530776730.db2.gz ZBCKVHKCNMLBCS-UHFFFAOYSA-N 1 0 383.539 1.540 20 0 GDADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(Cl)nc1 ZINC000181110617 530778399 /nfs/dbraw/zinc/77/83/99/530778399.db2.gz LUOWCXZWSIPJBD-GFCCVEGCSA-N 1 0 383.905 1.972 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000066595884 530764654 /nfs/dbraw/zinc/76/46/54/530764654.db2.gz CIHVOSJPEVMDAW-CYBMUJFWSA-N 1 0 388.559 1.849 20 0 GDADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cn[nH]c1=O ZINC000180547543 530767793 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CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1Br ZINC000193234163 530982483 /nfs/dbraw/zinc/98/24/83/530982483.db2.gz ZOPPFDQJKSEDDF-SNVBAGLBSA-N 1 0 376.276 1.438 20 0 GDADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000193277365 530982988 /nfs/dbraw/zinc/98/29/88/530982988.db2.gz JPGFRPIPHADJSY-QWHCGFSZSA-N 1 0 376.906 1.889 20 0 GDADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)C1 ZINC000193327958 530984021 /nfs/dbraw/zinc/98/40/21/530984021.db2.gz POMPJHRMRDDVTA-JTQLQIEISA-N 1 0 391.287 1.593 20 0 GDADRO C[C@H](CNC(=O)NCCNS(=O)(=O)c1cccs1)[NH+]1CCC(C)CC1 ZINC000122132639 530967287 /nfs/dbraw/zinc/96/72/87/530967287.db2.gz IGJFDFPOGAOFLL-CQSZACIVSA-N 1 0 388.559 1.446 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)cc1Br ZINC000122477203 530972368 /nfs/dbraw/zinc/97/23/68/530972368.db2.gz YDQGLXJRVCPSFP-UHFFFAOYSA-N 1 0 397.317 1.450 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)cc1Br ZINC000124173712 530992314 /nfs/dbraw/zinc/99/23/14/530992314.db2.gz 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ZINC000126101692 531014633 /nfs/dbraw/zinc/01/46/33/531014633.db2.gz WNJOFJVZGHVHER-GFCCVEGCSA-N 1 0 375.560 1.681 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Br)c(C)[nH]c3=O)C2)CC1 ZINC000126828004 531023712 /nfs/dbraw/zinc/02/37/12/531023712.db2.gz VKQCDJHUMFMLQJ-ZDUSSCGKSA-N 1 0 397.317 1.710 20 0 GDADRO C[NH+]1CCN(CCNC(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000126955714 531024392 /nfs/dbraw/zinc/02/43/92/531024392.db2.gz DZZACBALIWNNMK-UHFFFAOYSA-N 1 0 379.302 1.837 20 0 GDADRO COCC[NH+]1CCC(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194177256 531000457 /nfs/dbraw/zinc/00/04/57/531000457.db2.gz SZBJCQNIFOKMPQ-INIZCTEOSA-N 1 0 383.286 1.980 20 0 GDADRO COc1cc(I)c(C(=O)N2CC[NH2+]C[C@H]2C)cc1OC ZINC000124913459 531000956 /nfs/dbraw/zinc/00/09/56/531000956.db2.gz RAHBBZJBMHVRNW-SECBINFHSA-N 1 0 390.221 1.742 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000124907179 531001044 /nfs/dbraw/zinc/00/10/44/531001044.db2.gz VBSOQGUQFQUWLH-CYBMUJFWSA-N 1 0 379.507 1.661 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1 ZINC000124988995 531001717 /nfs/dbraw/zinc/00/17/17/531001717.db2.gz PEJWMNFKJFYWQE-RYUDHWBXSA-N 1 0 379.404 1.527 20 0 GDADRO O=C(CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)NCC(F)(F)F ZINC000194279378 531002773 /nfs/dbraw/zinc/00/27/73/531002773.db2.gz OPIHYGIZEZLBFS-LLVKDONJSA-N 1 0 378.420 1.863 20 0 GDADRO C[C@H](CNC(=O)[C@H]1Cc2cc(Br)ccc2O1)C[NH+]1CCN(C)CC1 ZINC000194306139 531003272 /nfs/dbraw/zinc/00/32/72/531003272.db2.gz CVAVLQWPFFVRNA-CXAGYDPISA-N 1 0 396.329 1.752 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C1 ZINC000125234655 531004128 /nfs/dbraw/zinc/00/41/28/531004128.db2.gz WGSPHSICDPYGPZ-VXGBXAGGSA-N 1 0 379.404 1.527 20 0 GDADRO CCN(C[C@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1)CC(F)(F)F ZINC000246181118 531064256 /nfs/dbraw/zinc/06/42/56/531064256.db2.gz HFHINQMLSHEEMI-HUUCEWRRSA-N 1 0 385.496 1.864 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000246244756 531065643 /nfs/dbraw/zinc/06/56/43/531065643.db2.gz DRBCWQRSJGAESS-TZMCWYRMSA-N 1 0 388.559 1.316 20 0 GDADRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC[N@@H+]1C ZINC000130978227 531065754 /nfs/dbraw/zinc/06/57/54/531065754.db2.gz HJQDRPXEDQCOIN-VXGBXAGGSA-N 1 0 388.921 1.340 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(I)c(O)c1 ZINC000230903756 531036011 /nfs/dbraw/zinc/03/60/11/531036011.db2.gz BNHDUIMWYUEDBO-ZDUSSCGKSA-N 1 0 378.210 1.039 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000236584193 531037653 /nfs/dbraw/zinc/03/76/53/531037653.db2.gz RAZJRZHACFWTLI-GFCCVEGCSA-N 1 0 381.274 1.649 20 0 GDADRO CC(C)([NH3+])CNC(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000236606496 531038404 /nfs/dbraw/zinc/03/84/04/531038404.db2.gz CMBGHSOZNGFSNE-UHFFFAOYSA-N 1 0 380.539 1.950 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000236652783 531039294 /nfs/dbraw/zinc/03/92/94/531039294.db2.gz GKMOXJKEGWQJLF-CQSZACIVSA-N 1 0 376.544 1.701 20 0 GDADRO CCN(CCC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)S(C)(=O)=O ZINC000128269371 531039832 /nfs/dbraw/zinc/03/98/32/531039832.db2.gz YDVVAOBZFUTMCU-LBPRGKRZSA-N 1 0 376.910 1.713 20 0 GDADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236766097 531040218 /nfs/dbraw/zinc/04/02/18/531040218.db2.gz UJLRKOAPBMQBMC-GFCCVEGCSA-N 1 0 393.285 1.665 20 0 GDADRO CC[NH2+]CCNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000236895684 531041275 /nfs/dbraw/zinc/04/12/75/531041275.db2.gz DOOAUXZSMOWTPO-UHFFFAOYSA-N 1 0 377.304 1.729 20 0 GDADRO CCC[NH2+]CCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000236917581 531041281 /nfs/dbraw/zinc/04/12/81/531041281.db2.gz ADSADUVXVVZJDS-UHFFFAOYSA-N 1 0 381.274 1.665 20 0 GDADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(Br)c(OC)cc1OC ZINC000237059132 531041909 /nfs/dbraw/zinc/04/19/09/531041909.db2.gz ZPRGXBQQIOTVFK-SECBINFHSA-N 1 0 381.292 1.600 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237097110 531042566 /nfs/dbraw/zinc/04/25/66/531042566.db2.gz OPWQWTZRBCHXBK-GFCCVEGCSA-N 1 0 381.274 1.631 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000237076053 531042758 /nfs/dbraw/zinc/04/27/58/531042758.db2.gz QDHOOFRYXZZZKG-ZDUSSCGKSA-N 1 0 396.285 1.775 20 0 GDADRO COC(=O)C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1cccc(Br)c1 ZINC000237206953 531043954 /nfs/dbraw/zinc/04/39/54/531043954.db2.gz RMMWLQVCQFNJSL-HUUCEWRRSA-N 1 0 399.285 1.938 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NCC[NH2+]C2CC2)cc1Br ZINC000237207895 531044187 /nfs/dbraw/zinc/04/41/87/531044187.db2.gz IXHVOHAZEHREGT-UHFFFAOYSA-N 1 0 379.276 1.497 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1Br ZINC000237207288 531044205 /nfs/dbraw/zinc/04/42/05/531044205.db2.gz VTQUXMSTNBMNPQ-JTQLQIEISA-N 1 0 393.303 1.826 20 0 GDADRO COc1ccc(Br)c(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000237316489 531044425 /nfs/dbraw/zinc/04/44/25/531044425.db2.gz KUDAMLFMPXBZPH-LLVKDONJSA-N 1 0 384.274 1.385 20 0 GDADRO C[NH2+]CCN(C)C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000237270470 531044586 /nfs/dbraw/zinc/04/45/86/531044586.db2.gz QSWNWCDCFALRGY-UHFFFAOYSA-N 1 0 377.304 1.681 20 0 GDADRO COCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000237310240 531044621 /nfs/dbraw/zinc/04/46/21/531044621.db2.gz USQIVFCXCLIVKU-GFCCVEGCSA-N 1 0 384.274 1.154 20 0 GDADRO COc1ccc(-c2csc(CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c2)cc1 ZINC000237291529 531044898 /nfs/dbraw/zinc/04/48/98/531044898.db2.gz NEWWXPMNDJJGTK-INIZCTEOSA-N 1 0 382.507 1.802 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCCc1ccc(F)c(Br)c1 ZINC000237322481 531045680 /nfs/dbraw/zinc/04/56/80/531045680.db2.gz XWKUNJHVAYPFDL-GFCCVEGCSA-N 1 0 381.267 1.009 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000237346001 531045952 /nfs/dbraw/zinc/04/59/52/531045952.db2.gz WSKXBUVXFVYCJN-QWRGUYRKSA-N 1 0 377.304 1.570 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000237400118 531045966 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C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000237767266 531050242 /nfs/dbraw/zinc/05/02/42/531050242.db2.gz LFZVZGPQXLKTPI-SWLSCSKDSA-N 1 0 380.286 1.874 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237792222 531050349 /nfs/dbraw/zinc/05/03/49/531050349.db2.gz MMLBVVOQDZNMMA-LBPRGKRZSA-N 1 0 386.315 1.907 20 0 GDADRO O=C(CC1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000237777702 531050400 /nfs/dbraw/zinc/05/04/00/531050400.db2.gz CTYJZMHVBRSDBN-UHFFFAOYSA-N 1 0 385.917 1.563 20 0 GDADRO O=C(CN1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1ccc(Br)cn1 ZINC000129380618 531050603 /nfs/dbraw/zinc/05/06/03/531050603.db2.gz HGZQLTRUORFUEY-ZDUSSCGKSA-N 1 0 383.290 1.437 20 0 GDADRO O=C(C[NH2+]C1CC1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000237849538 531050781 /nfs/dbraw/zinc/05/07/81/531050781.db2.gz KYHUESYVERCZKT-UHFFFAOYSA-N 1 0 392.308 1.578 20 0 GDADRO Cn1cnc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000627911056 531051820 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CO[C@H](C)CS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000249603555 531088110 /nfs/dbraw/zinc/08/81/10/531088110.db2.gz QXWCENHCFBXLJH-NXHRZFHOSA-N 1 0 375.579 1.620 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(-c2nc(C3([NH3+])CCC3)no2)c1 ZINC000261644616 531094642 /nfs/dbraw/zinc/09/46/42/531094642.db2.gz DNWLPOZKEYBUTF-UHFFFAOYSA-N 1 0 386.861 1.653 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000261647827 531094707 /nfs/dbraw/zinc/09/47/07/531094707.db2.gz FETZDZWVURNJQI-RKDXNWHRSA-N 1 0 393.278 1.801 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261635710 531094852 /nfs/dbraw/zinc/09/48/52/531094852.db2.gz FMHLKTXVFAILOQ-OLZOCXBDSA-N 1 0 381.479 1.293 20 0 GDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000133937785 531095490 /nfs/dbraw/zinc/09/54/90/531095490.db2.gz NDZLRCCQTKCDEH-VIFPVBQESA-N 1 0 378.654 1.080 20 0 GDADRO Cc1ccc(NC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)c(Br)c1 ZINC000261694272 531096799 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GDADRO O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000262314316 531116092 /nfs/dbraw/zinc/11/60/92/531116092.db2.gz DEPCQZWJKKCVOL-ZFWWWQNUSA-N 1 0 382.302 1.770 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262354803 531117969 /nfs/dbraw/zinc/11/79/69/531117969.db2.gz UWKPZXFIHOMQSZ-OAHLLOKOSA-N 1 0 380.491 1.255 20 0 GDADRO COC[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000262378983 531118496 /nfs/dbraw/zinc/11/84/96/531118496.db2.gz XNXKZJSHIHBLJN-CYBMUJFWSA-N 1 0 384.274 1.600 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000262489888 531122049 /nfs/dbraw/zinc/12/20/49/531122049.db2.gz UKRXDZIOVBQDTH-LLVKDONJSA-N 1 0 392.319 1.232 20 0 GDADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262562947 531124277 /nfs/dbraw/zinc/12/42/77/531124277.db2.gz WZMIHTGTNYKWSR-HZPDHXFCSA-N 1 0 382.302 1.253 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000262628228 531125850 /nfs/dbraw/zinc/12/58/50/531125850.db2.gz LKZGOHZYKATMGB-QLFBSQMISA-N 1 0 383.539 1.563 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000262705034 531126854 /nfs/dbraw/zinc/12/68/54/531126854.db2.gz BKOGXNXDWGSRQZ-GZMMTYOYSA-N 1 0 393.278 1.720 20 0 GDADRO C[C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)Oc1cccc(Br)c1 ZINC000262706592 531127712 /nfs/dbraw/zinc/12/77/12/531127712.db2.gz MOGAUWNPNDZRIY-GXFFZTMASA-N 1 0 393.303 1.095 20 0 GDADRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000262738293 531128384 /nfs/dbraw/zinc/12/83/84/531128384.db2.gz HRSASFWQRUYIMA-CQSZACIVSA-N 1 0 381.495 1.239 20 0 GDADRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000262749889 531129045 /nfs/dbraw/zinc/12/90/45/531129045.db2.gz FYKPWGOKMJCVPN-CQSZACIVSA-N 1 0 389.543 1.123 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)cc1F ZINC000262762270 531129668 /nfs/dbraw/zinc/12/96/68/531129668.db2.gz JUXPYNCIFYWQKN-UHFFFAOYSA-N 1 0 393.506 1.255 20 0 GDADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC[NH2+]1 ZINC000262783279 531130579 /nfs/dbraw/zinc/13/05/79/531130579.db2.gz LSUKETVADSMTIP-ZYHUDNBSSA-N 1 0 379.404 1.398 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000262802150 531131519 /nfs/dbraw/zinc/13/15/19/531131519.db2.gz VTULBEUOHDVDRB-CZUORRHYSA-N 1 0 389.543 1.505 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC[NH2+]1 ZINC000262796048 531131603 /nfs/dbraw/zinc/13/16/03/531131603.db2.gz DQVGBDXRLDOBSD-VXGBXAGGSA-N 1 0 389.568 1.356 20 0 GDADRO CO[C@H](C[NH3+])CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000262806161 531132105 /nfs/dbraw/zinc/13/21/05/531132105.db2.gz SFFJFSXBXNJDOX-INIZCTEOSA-N 1 0 384.318 1.894 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000262827532 531132798 /nfs/dbraw/zinc/13/27/98/531132798.db2.gz YPVBEEPDGPLYHY-NWDGAFQWSA-N 1 0 393.506 1.396 20 0 GDADRO CC[N@H+](CC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C1CC1 ZINC000151242158 531135823 /nfs/dbraw/zinc/13/58/23/531135823.db2.gz DVNOYFRJRBSPGH-UHFFFAOYSA-N 1 0 379.404 1.950 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000152160755 531147152 /nfs/dbraw/zinc/14/71/52/531147152.db2.gz NAXZYZNGVBSXLL-CYBMUJFWSA-N 1 0 388.917 1.710 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000152248045 531148446 /nfs/dbraw/zinc/14/84/46/531148446.db2.gz WDWUDRMFVMAHNJ-UHFFFAOYSA-N 1 0 384.278 2.000 20 0 GDADRO Cn1cc(Br)cc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000152248218 531148747 /nfs/dbraw/zinc/14/87/47/531148747.db2.gz AVJZCBDVFZNMHO-ZDUSSCGKSA-N 1 0 383.290 1.166 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000152353925 531150244 /nfs/dbraw/zinc/15/02/44/531150244.db2.gz FKVLSTQTHGAGCO-CABCVRRESA-N 1 0 386.539 1.649 20 0 GDADRO CC[N@H+](C)CCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000263752490 531152926 /nfs/dbraw/zinc/15/29/26/531152926.db2.gz XPNKXYZVKNFWPM-UHFFFAOYSA-N 1 0 377.557 1.167 20 0 GDADRO Cc1c(C(=O)NC[C@@](C)(O)C[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC000152561550 531153595 /nfs/dbraw/zinc/15/35/95/531153595.db2.gz JTQFIXMLZNNLSX-QGZVFWFLSA-N 1 0 395.301 1.986 20 0 GDADRO Cc1cccc(C(=O)NC[C@](C)(O)C[NH+](C)C)c1I ZINC000152634688 531154912 /nfs/dbraw/zinc/15/49/12/531154912.db2.gz PXWODPRYVZUFSK-AWEZNQCLSA-N 1 0 376.238 1.642 20 0 GDADRO C[C@H](NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)[C@H]1CN(C)CCO1 ZINC000152740321 531155740 /nfs/dbraw/zinc/15/57/40/531155740.db2.gz LZVFSBRDTVJYQV-DZGCQCFKSA-N 1 0 386.949 1.948 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000152896920 531158780 /nfs/dbraw/zinc/15/87/80/531158780.db2.gz VAWCXILAZXRLNB-INIZCTEOSA-N 1 0 382.511 1.428 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000152897379 531159009 /nfs/dbraw/zinc/15/90/09/531159009.db2.gz WEUQDQQMNLXWNS-SJCJKPOMSA-N 1 0 398.301 1.231 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000152910144 531159121 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CC[NH+](CC)CCSCC(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000266273998 531334241 /nfs/dbraw/zinc/33/42/41/531334241.db2.gz NQBYPTFIJHYWKE-UHFFFAOYSA-N 1 0 387.571 1.628 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000440356496 531335259 /nfs/dbraw/zinc/33/52/59/531335259.db2.gz KDHFSVYJWSAHCD-GXFFZTMASA-N 1 0 379.479 1.088 20 0 GDADRO O=C([C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)C1)N1CC[NH2+]CC1 ZINC000440361039 531336301 /nfs/dbraw/zinc/33/63/01/531336301.db2.gz WMTMMXCEYLMTSL-LBPRGKRZSA-N 1 0 389.880 1.312 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000527986652 531339178 /nfs/dbraw/zinc/33/91/78/531339178.db2.gz QTNQUHSWKVLKGX-GJZGRUSLSA-N 1 0 389.880 1.500 20 0 GDADRO COC(=O)[C@H]1CN(CC(=O)Nc2ccc(C)cc2Br)CC[N@H+](C)C1 ZINC000411917854 531347388 /nfs/dbraw/zinc/34/73/88/531347388.db2.gz NVYXPFBTAQDYBE-CYBMUJFWSA-N 1 0 398.301 1.733 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])c(Cl)c1 ZINC000440841297 531347603 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1.110 20 0 GDADRO COCC(C)(C)N(C)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000292241842 531344787 /nfs/dbraw/zinc/34/47/87/531344787.db2.gz WWCNEMVTKIISOU-AWEZNQCLSA-N 1 0 388.555 1.621 20 0 GDADRO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2cccc(Br)c2)CC[N@H+](C)C1 ZINC000411901296 531345206 /nfs/dbraw/zinc/34/52/06/531345206.db2.gz GFQPEBHBYXBZOI-OLZOCXBDSA-N 1 0 398.301 1.813 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000528297639 531345340 /nfs/dbraw/zinc/34/53/40/531345340.db2.gz AXMAERAZHFLSTH-UHFFFAOYSA-N 1 0 376.404 1.979 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c1 ZINC000440811071 531345428 /nfs/dbraw/zinc/34/54/28/531345428.db2.gz FZIZHABTPQBKPP-NXEZZACHSA-N 1 0 391.287 1.607 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000528288429 531345562 /nfs/dbraw/zinc/34/55/62/531345562.db2.gz WBVNQGJFOCBEFN-CYBMUJFWSA-N 1 0 386.543 1.472 20 0 GDADRO CN(C)C(=O)C1([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000411914141 531346053 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C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cc(C(F)(F)F)nn2C)CCCO1 ZINC000528376106 531352331 /nfs/dbraw/zinc/35/23/31/531352331.db2.gz BBALUHRXPQJDHT-LLVKDONJSA-N 1 0 384.424 1.218 20 0 GDADRO Cn1ncc(I)c1C(=O)NCC[NH+]1CCCCCC1 ZINC000292383943 531352528 /nfs/dbraw/zinc/35/25/28/531352528.db2.gz WSCMWZSPEFUEMQ-UHFFFAOYSA-N 1 0 376.242 1.631 20 0 GDADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c(I)cnn1C ZINC000292586189 531364650 /nfs/dbraw/zinc/36/46/50/531364650.db2.gz YZCRXOCNXJGEEF-MNOVXSKESA-N 1 0 388.253 1.724 20 0 GDADRO O=S(=O)(NCCN1CCCOCC1)c1cccc(OC(F)(F)F)c1F ZINC000292727187 531374001 /nfs/dbraw/zinc/37/40/01/531374001.db2.gz UWHXZKORFXTSDL-UHFFFAOYSA-N 1 0 386.367 1.725 20 0 GDADRO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c(Cl)c1 ZINC000266739706 531366355 /nfs/dbraw/zinc/36/63/55/531366355.db2.gz MXWPSNYXVVTQFS-GFCCVEGCSA-N 1 0 390.889 1.506 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)NCCOCCS(C)(=O)=O)c1ccco1 ZINC000266737873 531366933 /nfs/dbraw/zinc/36/69/33/531366933.db2.gz 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[NH3+]C[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000449712122 531474251 /nfs/dbraw/zinc/47/42/51/531474251.db2.gz QESWCVVGVASUMO-CMPLNLGQSA-N 1 0 379.404 1.227 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415324538 531474398 /nfs/dbraw/zinc/47/43/98/531474398.db2.gz FERLWMTYIICRPJ-MRVPVSSYSA-N 1 0 376.201 1.782 20 0 GDADRO O=C(Nc1cccc(F)c1I)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415314359 531474746 /nfs/dbraw/zinc/47/47/46/531474746.db2.gz JKUNCOZHXRPAAL-MRVPVSSYSA-N 1 0 391.184 1.237 20 0 GDADRO Cn1ncc(Br)c1CNC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000487551468 531474915 /nfs/dbraw/zinc/47/49/15/531474915.db2.gz MWWLKPCRIOIUSY-CABCVRRESA-N 1 0 379.302 1.908 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363189802 531475508 /nfs/dbraw/zinc/47/55/08/531475508.db2.gz JYXNOTRFLUUJSI-HNNXBMFYSA-N 1 0 380.286 1.876 20 0 GDADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CCN(CC(=O)OC)CC2)c1 ZINC000414494773 531458270 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398.301 1.673 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC(=O)NC1 ZINC000449135776 531467663 /nfs/dbraw/zinc/46/76/63/531467663.db2.gz RKARJTXLDFXEML-ZWNOBZJWSA-N 1 0 384.274 1.331 20 0 GDADRO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCn2cc(Br)cn2)cc1 ZINC000415214085 531467787 /nfs/dbraw/zinc/46/77/87/531467787.db2.gz OOTCTRMBKIUCTJ-UHFFFAOYSA-N 1 0 380.246 1.120 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000415226246 531468272 /nfs/dbraw/zinc/46/82/72/531468272.db2.gz KMZVTMKILUAZIY-JTQLQIEISA-N 1 0 387.253 1.907 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1Br ZINC000415261231 531468928 /nfs/dbraw/zinc/46/89/28/531468928.db2.gz DFGCPPSKZJSBDT-VIFPVBQESA-N 1 0 386.246 1.355 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)NCC[NH3+])c1C ZINC000415264296 531469036 /nfs/dbraw/zinc/46/90/36/531469036.db2.gz BMYDTHODQMNZPO-UHFFFAOYSA-N 1 0 380.246 1.265 20 0 GDADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C(=O)NC1CC[NH2+]CC1 ZINC000415264418 531469617 /nfs/dbraw/zinc/46/96/17/531469617.db2.gz BTCNYDWERBKLRY-UHFFFAOYSA-N 1 0 382.251 1.986 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc(OC)c1Br ZINC000415269021 531470243 /nfs/dbraw/zinc/47/02/43/531470243.db2.gz KRPYWFPKABYNRX-VIFPVBQESA-N 1 0 386.246 1.355 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N2CC[NH2+]CC2)cc1Cl ZINC000415278553 531470515 /nfs/dbraw/zinc/47/05/15/531470515.db2.gz AZVQKSUTKWUNCC-UHFFFAOYSA-N 1 0 376.240 1.389 20 0 GDADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000449406863 531470693 /nfs/dbraw/zinc/47/06/93/531470693.db2.gz DCIQFSMMOHFJBR-IINYFYTJSA-N 1 0 380.279 1.658 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000415288436 531471978 /nfs/dbraw/zinc/47/19/78/531471978.db2.gz YRGWPVDOPGPDHW-UHFFFAOYSA-N 1 0 393.702 1.997 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000415296358 531472443 /nfs/dbraw/zinc/47/24/43/531472443.db2.gz CAAGAIBKBKNTER-UHFFFAOYSA-N 1 0 376.201 1.863 20 0 GDADRO C[NH+](C)Cc1ccsc1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000268074629 531472551 /nfs/dbraw/zinc/47/25/51/531472551.db2.gz DPBOZJJDNDQJJK-UHFFFAOYSA-N 1 0 395.497 1.804 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(c(Br)c1)OCO2 ZINC000363103267 531472666 /nfs/dbraw/zinc/47/26/66/531472666.db2.gz FYPYKFCYAUGEHP-NWDGAFQWSA-N 1 0 383.242 1.771 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)C1 ZINC000415297052 531472813 /nfs/dbraw/zinc/47/28/13/531472813.db2.gz JLKGEXLQBCLUPL-CYBMUJFWSA-N 1 0 383.290 1.270 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415294971 531472966 /nfs/dbraw/zinc/47/29/66/531472966.db2.gz RCTXGDKNIRMFGM-UHFFFAOYSA-N 1 0 379.052 1.615 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000268147910 531479038 /nfs/dbraw/zinc/47/90/38/531479038.db2.gz FOZIVNGMZKEWFI-BXUZGUMPSA-N 1 0 378.523 1.588 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)CC1=O ZINC000363301469 531479456 /nfs/dbraw/zinc/47/94/56/531479456.db2.gz JPZCPVKZCZMUIB-QWHCGFSZSA-N 1 0 385.917 1.712 20 0 GDADRO CCOCCOc1ccc(Br)cc1NC(=O)C(=O)NCC[NH2+]C ZINC000415365863 531479520 /nfs/dbraw/zinc/47/95/20/531479520.db2.gz WYPXPDQCNWKPSR-UHFFFAOYSA-N 1 0 388.262 1.139 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415371128 531479800 /nfs/dbraw/zinc/47/98/00/531479800.db2.gz RRRCZRSNWVOXRO-UHFFFAOYSA-N 1 0 395.628 1.609 20 0 GDADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415376924 531480429 /nfs/dbraw/zinc/48/04/29/531480429.db2.gz DBMZVIGFMBUBRH-UHFFFAOYSA-N 1 0 395.628 1.737 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415375072 531480516 /nfs/dbraw/zinc/48/05/16/531480516.db2.gz JUCGALKXADAOQC-JTQLQIEISA-N 1 0 377.242 1.804 20 0 GDADRO COc1ccc(I)c(NC(=O)C(=O)NCC[C@H](C)[NH3+])c1 ZINC000415380005 531481327 /nfs/dbraw/zinc/48/13/27/531481327.db2.gz SBFKHFNJYOPEMD-QMMMGPOBSA-N 1 0 391.209 1.092 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1Br ZINC000415382220 531481580 /nfs/dbraw/zinc/48/15/80/531481580.db2.gz RTKADVAFJKBSNT-CYBMUJFWSA-N 1 0 383.290 1.317 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415408062 531483262 /nfs/dbraw/zinc/48/32/62/531483262.db2.gz GVIVOGCNWHDKLQ-NSHDSACASA-N 1 0 384.274 1.902 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415407440 531483426 /nfs/dbraw/zinc/48/34/26/531483426.db2.gz QQTQQORVZUAAKN-QMMMGPOBSA-N 1 0 376.201 1.782 20 0 GDADRO CCCN(C(=O)C(=O)Nc1ccc(OC)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000415402995 531483501 /nfs/dbraw/zinc/48/35/01/531483501.db2.gz KWTFRODXLMJONX-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(C)c(I)c1 ZINC000415411535 531484155 /nfs/dbraw/zinc/48/41/55/531484155.db2.gz GWDMANSBGMHWLS-VIFPVBQESA-N 1 0 389.237 1.510 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1Br ZINC000415430568 531484963 /nfs/dbraw/zinc/48/49/63/531484963.db2.gz FMHOURTZFKYTCH-MFKMUULPSA-N 1 0 384.274 1.982 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415441111 531486124 /nfs/dbraw/zinc/48/61/24/531486124.db2.gz AEBSEKMNEQVNMJ-ZDUSSCGKSA-N 1 0 398.257 1.418 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC[NH2+]1 ZINC000415446361 531487053 /nfs/dbraw/zinc/48/70/53/531487053.db2.gz WRLBBWQZPFWAKV-LBPRGKRZSA-N 1 0 382.917 1.652 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415465263 531488874 /nfs/dbraw/zinc/48/88/74/531488874.db2.gz FBJSLHIODHLEOF-QMMMGPOBSA-N 1 0 390.209 1.485 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415470844 531490035 /nfs/dbraw/zinc/49/00/35/531490035.db2.gz YJLCDHUQRSDHBW-ZYHUDNBSSA-N 1 0 384.274 1.982 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC ZINC000415495098 531490932 /nfs/dbraw/zinc/49/09/32/531490932.db2.gz MYBFJKOHIJRDKQ-VIFPVBQESA-N 1 0 388.251 1.929 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccncc2I)C1 ZINC000545422761 531490953 /nfs/dbraw/zinc/49/09/53/531490953.db2.gz IWRMSKJWJLOGQB-LLVKDONJSA-N 1 0 388.253 1.960 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC ZINC000415495092 531490984 /nfs/dbraw/zinc/49/09/84/531490984.db2.gz MYBFJKOHIJRDKQ-SECBINFHSA-N 1 0 388.251 1.929 20 0 GDADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000268282397 531491091 /nfs/dbraw/zinc/49/10/91/531491091.db2.gz BKEBIPNKILWBQA-JKSUJKDBSA-N 1 0 383.539 1.941 20 0 GDADRO Cc1nc2sccn2c1C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000268280322 531491118 /nfs/dbraw/zinc/49/11/18/531491118.db2.gz VQEUITWXOJYUAU-UHFFFAOYSA-N 1 0 380.495 1.862 20 0 GDADRO CC[NH+](CC)CCSCC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000363566945 531492231 /nfs/dbraw/zinc/49/22/31/531492231.db2.gz CECHSYVACZYPNH-QGZVFWFLSA-N 1 0 375.604 1.386 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415542266 531492764 /nfs/dbraw/zinc/49/27/64/531492764.db2.gz PQUBKQZUOWGVMS-NXEZZACHSA-N 1 0 392.257 1.527 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)C[NH+](C)C ZINC000294406651 531478015 /nfs/dbraw/zinc/47/80/15/531478015.db2.gz XFCSCASJOLOEHP-NXEZZACHSA-N 1 0 376.320 1.943 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)ccc1Br ZINC000415671507 531512163 /nfs/dbraw/zinc/51/21/63/531512163.db2.gz GBJTZGNCQVSMCT-GFCCVEGCSA-N 1 0 383.290 1.985 20 0 GDADRO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280575632 531513616 /nfs/dbraw/zinc/51/36/16/531513616.db2.gz KSFSCTOOPUFCDC-NXEZZACHSA-N 1 0 388.291 1.427 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268445959 531514234 /nfs/dbraw/zinc/51/42/34/531514234.db2.gz WLFJNFWHBGCJHB-LSDHHAIUSA-N 1 0 380.286 1.922 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000415684951 531514379 /nfs/dbraw/zinc/51/43/79/531514379.db2.gz YLQOTAFJKNSJSS-LLVKDONJSA-N 1 0 384.274 1.984 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489944692 531515084 /nfs/dbraw/zinc/51/50/84/531515084.db2.gz ZWPZQWBAZRWZFG-XJKSGUPXSA-N 1 0 381.318 1.756 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000490001485 531517151 /nfs/dbraw/zinc/51/71/51/531517151.db2.gz BEFWBENIXVMKFG-ZDUSSCGKSA-N 1 0 388.331 1.426 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2cc(C)ccc2Br)CCC[NH2+]1 ZINC000415710225 531517364 /nfs/dbraw/zinc/51/73/64/531517364.db2.gz QVCUVZXXLVTAOX-INIZCTEOSA-N 1 0 384.274 1.581 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000280613262 531517480 /nfs/dbraw/zinc/51/74/80/531517480.db2.gz QQOOZBNSLHMFCS-CQSZACIVSA-N 1 0 389.543 1.088 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415546851 531493717 /nfs/dbraw/zinc/49/37/17/531493717.db2.gz NPYCZDNIYVYZIA-UHFFFAOYSA-N 1 0 395.257 1.288 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415550352 531493842 /nfs/dbraw/zinc/49/38/42/531493842.db2.gz VIHIMTFCWSUGKS-UHFFFAOYSA-N 1 0 378.654 1.393 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)cc1I ZINC000489118106 531494023 /nfs/dbraw/zinc/49/40/23/531494023.db2.gz RWADXJSRHWSBIJ-NSHDSACASA-N 1 0 394.278 1.972 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)ccc1Br ZINC000415565254 531495713 /nfs/dbraw/zinc/49/57/13/531495713.db2.gz DJHXXOOKAPDYMK-MRXNPFEDSA-N 1 0 384.274 1.902 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000415575152 531496768 /nfs/dbraw/zinc/49/67/68/531496768.db2.gz DYIWFDRZYDSZAF-VQISRLSMSA-N 1 0 396.285 1.982 20 0 GDADRO COCCOC[C@H](O)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000450498101 531496957 /nfs/dbraw/zinc/49/69/57/531496957.db2.gz FGSNXTUQDUVROE-QGZVFWFLSA-N 1 0 387.318 1.591 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1Br ZINC000415579401 531498534 /nfs/dbraw/zinc/49/85/34/531498534.db2.gz QEHMUVUIIYKWPO-UWVGGRQHSA-N 1 0 398.257 1.370 20 0 GDADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415579655 531498588 /nfs/dbraw/zinc/49/85/88/531498588.db2.gz DBYZFSODKCLUKI-JTQLQIEISA-N 1 0 382.251 1.843 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000635590744 531498912 /nfs/dbraw/zinc/49/89/12/531498912.db2.gz YHMOWZIQYIYQHB-MCIONIFRSA-N 1 0 382.448 1.686 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000635590745 531499575 /nfs/dbraw/zinc/49/95/75/531499575.db2.gz YHMOWZIQYIYQHB-MGPQQGTHSA-N 1 0 382.448 1.686 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CCO1 ZINC000415599995 531500834 /nfs/dbraw/zinc/50/08/34/531500834.db2.gz NDAIRVIHXRGPLR-LBPRGKRZSA-N 1 0 382.258 1.062 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CCO1 ZINC000415599448 531500891 /nfs/dbraw/zinc/50/08/91/531500891.db2.gz MLRPNJLSUJFGRR-SSDOTTSWSA-N 1 0 394.628 1.366 20 0 GDADRO COC(=O)c1cccc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)c1Br ZINC000415614942 531502530 /nfs/dbraw/zinc/50/25/30/531502530.db2.gz PUFZTHVIXOXHAM-JTQLQIEISA-N 1 0 386.246 1.817 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c(C)s1 ZINC000635715065 531503489 /nfs/dbraw/zinc/50/34/89/531503489.db2.gz GZTTYKPJUPIKDR-HNNXBMFYSA-N 1 0 385.555 1.776 20 0 GDADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1 ZINC000658208768 531504234 /nfs/dbraw/zinc/50/42/34/531504234.db2.gz UTMXWWJYYFPWNP-AWEZNQCLSA-N 1 0 388.555 1.993 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000415627143 531505014 /nfs/dbraw/zinc/50/50/14/531505014.db2.gz RRIHGAMPAXJHNP-GXFFZTMASA-N 1 0 384.274 1.901 20 0 GDADRO Cc1ccc([C@@H]([NH3+])C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000280513248 531506106 /nfs/dbraw/zinc/50/61/06/531506106.db2.gz FPXRIJXLCZFXBH-CYBMUJFWSA-N 1 0 379.404 1.425 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363775104 531506861 /nfs/dbraw/zinc/50/68/61/531506861.db2.gz PZLZIXVKSOWABK-VXGBXAGGSA-N 1 0 384.274 1.754 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000363774511 531507419 /nfs/dbraw/zinc/50/74/19/531507419.db2.gz ODWVNAYDONHIHQ-CABCVRRESA-N 1 0 396.285 1.675 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(C)OCCO1 ZINC000294936001 531508020 /nfs/dbraw/zinc/50/80/20/531508020.db2.gz BMWVKAYIYQMLNY-LLVKDONJSA-N 1 0 387.274 1.815 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000415658128 531508499 /nfs/dbraw/zinc/50/84/99/531508499.db2.gz VGWDPFZYYXOHRG-ZYHUDNBSSA-N 1 0 387.221 1.616 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415651312 531509313 /nfs/dbraw/zinc/50/93/13/531509313.db2.gz GIMBSONQOZHRQW-HQJQHLMTSA-N 1 0 376.201 1.780 20 0 GDADRO O=C(Nc1nc(CC(F)(F)F)cs1)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415719359 531520423 /nfs/dbraw/zinc/52/04/23/531520423.db2.gz GUBRUHVILAJFHO-CQSZACIVSA-N 1 0 376.404 1.789 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c2c[nH+]ccc21 ZINC000268506032 531523430 /nfs/dbraw/zinc/52/34/30/531523430.db2.gz PXCSURCYRFEECW-UHFFFAOYSA-N 1 0 385.442 1.269 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2I)C1 ZINC000611002466 531523521 /nfs/dbraw/zinc/52/35/21/531523521.db2.gz SKIDIHXUPODRSG-JTQLQIEISA-N 1 0 392.212 1.881 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415779378 531528537 /nfs/dbraw/zinc/52/85/37/531528537.db2.gz JGXZLDPVAWSNJX-LLVKDONJSA-N 1 0 385.306 1.693 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415780188 531528874 /nfs/dbraw/zinc/52/88/74/531528874.db2.gz CIPOLPDEFCRAPP-NSHDSACASA-N 1 0 384.278 1.471 20 0 GDADRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)CC1CCS(=O)(=O)CC1)c1ccco1 ZINC000557844156 531529405 /nfs/dbraw/zinc/52/94/05/531529405.db2.gz OZEYLBBOIHAZHT-UKRRQHHQSA-N 1 0 392.543 1.453 20 0 GDADRO CN(C(=O)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1)C1CC([NH3+])C1 ZINC000415791458 531531407 /nfs/dbraw/zinc/53/14/07/531531407.db2.gz QLKMVDQBHHPBDJ-UHFFFAOYSA-N 1 0 383.239 1.461 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc(F)c1I ZINC000415789068 531531437 /nfs/dbraw/zinc/53/14/37/531531437.db2.gz SEWXLKUIJHQIFP-MRVPVSSYSA-N 1 0 393.200 1.612 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000415792034 531531784 /nfs/dbraw/zinc/53/17/84/531531784.db2.gz RMCFLBCSVMNMMH-VIFPVBQESA-N 1 0 380.189 1.495 20 0 GDADRO CS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1Cl ZINC000415822636 531537337 /nfs/dbraw/zinc/53/73/37/531537337.db2.gz MUWKDQVRSQHJOX-ZDUSSCGKSA-N 1 0 387.889 1.316 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1cccc(Cl)c1Br ZINC000415828241 531537969 /nfs/dbraw/zinc/53/79/69/531537969.db2.gz FEUUFOVHNKZQQM-SECBINFHSA-N 1 0 390.665 1.536 20 0 GDADRO COc1cc(NC(=O)C(=O)NC2CC[NH2+]CC2)c(Cl)cc1Br ZINC000659075852 531538553 /nfs/dbraw/zinc/53/85/53/531538553.db2.gz SPFDKVCQYSRIRC-UHFFFAOYSA-N 1 0 390.665 1.918 20 0 GDADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000659082369 531538804 /nfs/dbraw/zinc/53/88/04/531538804.db2.gz MZSYCYHLWCLFBW-VIFPVBQESA-N 1 0 390.665 1.536 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@]1(C)C[NH3+] ZINC000415834917 531540040 /nfs/dbraw/zinc/54/00/40/531540040.db2.gz CAIGRLMDXGTXBN-QLJPJBMISA-N 1 0 387.889 1.125 20 0 GDADRO C[C@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC000582182076 531540144 /nfs/dbraw/zinc/54/01/44/531540144.db2.gz OPUMQOMIKDLVPY-QWRGUYRKSA-N 1 0 375.288 1.432 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000659099695 531540461 /nfs/dbraw/zinc/54/04/61/531540461.db2.gz CHMDRZYUJWPCNN-UHFFFAOYSA-N 1 0 389.253 1.886 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000558013149 531541141 /nfs/dbraw/zinc/54/11/41/531541141.db2.gz TUUOWKXXQBGSGC-CAOSSQGBSA-N 1 0 391.603 1.236 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000558022844 531541215 /nfs/dbraw/zinc/54/12/15/531541215.db2.gz CPXZQEFJPSVEFB-ZQDZILKHSA-N 1 0 385.555 1.604 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C[C@@]1(C)C[NH3+] ZINC000415845635 531541935 /nfs/dbraw/zinc/54/19/35/531541935.db2.gz WIJDGYIIMWGZCV-QLJPJBMISA-N 1 0 387.889 1.125 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415852143 531543149 /nfs/dbraw/zinc/54/31/49/531543149.db2.gz IYZOBXYZSQIKJU-LBPRGKRZSA-N 1 0 389.681 1.061 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000415849818 531543369 /nfs/dbraw/zinc/54/33/69/531543369.db2.gz ZMAHERRVLDLILK-JTQLQIEISA-N 1 0 398.179 1.792 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CCCO1 ZINC000415861877 531544217 /nfs/dbraw/zinc/54/42/17/531544217.db2.gz PFUXCPUSVLCDBU-VIFPVBQESA-N 1 0 390.665 1.617 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000364230192 531546191 /nfs/dbraw/zinc/54/61/91/531546191.db2.gz QDCFAXCNKRMMPA-JKSUJKDBSA-N 1 0 375.535 1.313 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c(F)cc1Br ZINC000415869238 531546469 /nfs/dbraw/zinc/54/64/69/531546469.db2.gz ZTFNWWDNUYMGRU-SNVBAGLBSA-N 1 0 388.237 1.411 20 0 GDADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000364228405 531546679 /nfs/dbraw/zinc/54/66/79/531546679.db2.gz TUPWSPBNXAVCEC-RBSFLKMASA-N 1 0 378.535 1.814 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2sccc2S(N)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000612300916 531548005 /nfs/dbraw/zinc/54/80/05/531548005.db2.gz RJMNBTROWGYJTG-GXTWGEPZSA-N 1 0 379.507 1.788 20 0 GDADRO CSC1(CNC(=O)N2CCCC[C@H]2CCS(C)(=O)=O)CC[NH+](C)CC1 ZINC000491070191 531548337 /nfs/dbraw/zinc/54/83/37/531548337.db2.gz RYKIDBQJIDRYDK-HNNXBMFYSA-N 1 0 391.603 1.813 20 0 GDADRO CC[NH2+]Cc1cccc(NC(=O)NCCNS(=O)(=O)c2cccs2)c1 ZINC000415912689 531550193 /nfs/dbraw/zinc/55/01/93/531550193.db2.gz MNMCGXCALKSCBN-UHFFFAOYSA-N 1 0 382.511 1.958 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC(O)(C[NH3+])CC2)cc(C)c1Br ZINC000415888845 531550342 /nfs/dbraw/zinc/55/03/42/531550342.db2.gz UKKVHPFFIZNDNZ-UHFFFAOYSA-N 1 0 384.274 1.317 20 0 GDADRO CCNS(=O)(=O)c1cccc(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000416000690 531552306 /nfs/dbraw/zinc/55/23/06/531552306.db2.gz YPNZLJIMJQTKFY-GFCCVEGCSA-N 1 0 382.408 1.064 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)NCCCn2cc(Br)cn2)n1 ZINC000558205721 531552226 /nfs/dbraw/zinc/55/22/26/531552226.db2.gz QGHKGYZHDJOQBL-UHFFFAOYSA-N 1 0 384.282 1.616 20 0 GDADRO O=C(NCc1cc(Cl)cc(Br)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659685748 531552303 /nfs/dbraw/zinc/55/23/03/531552303.db2.gz VPDJNHGOLJWQQY-UHFFFAOYSA-N 1 0 386.677 1.587 20 0 GDADRO O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000451125474 531552366 /nfs/dbraw/zinc/55/23/66/531552366.db2.gz MOALYSFFGVLCNU-MRXNPFEDSA-N 1 0 392.587 1.385 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000552189847 531552932 /nfs/dbraw/zinc/55/29/32/531552932.db2.gz JICKMIVOQOWYGX-RISCZKNCSA-N 1 0 380.286 1.979 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000415806905 531534769 /nfs/dbraw/zinc/53/47/69/531534769.db2.gz PCNKMSGLABWCNE-LLVKDONJSA-N 1 0 386.294 1.800 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416001137 531553186 /nfs/dbraw/zinc/55/31/86/531553186.db2.gz ZWBLLDFXAIEWEI-LBPRGKRZSA-N 1 0 382.408 1.016 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000659708458 531555596 /nfs/dbraw/zinc/55/55/96/531555596.db2.gz RNQRCQVWXOEKSR-LKFCYVNXSA-N 1 0 386.265 1.880 20 0 GDADRO CN(C(=O)c1nc2ncc(Br)cn2n1)C(C)(C)C[NH+]1CCCC1 ZINC000416098370 531555999 /nfs/dbraw/zinc/55/59/99/531555999.db2.gz GYCQIPLMVUBOIK-UHFFFAOYSA-N 1 0 381.278 1.833 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659728445 531557194 /nfs/dbraw/zinc/55/71/94/531557194.db2.gz ONCPMHZMORTUPZ-CHWSQXEVSA-N 1 0 397.317 1.340 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451208980 531567903 /nfs/dbraw/zinc/56/79/03/531567903.db2.gz GGBXWZAIKVHQSO-UHFFFAOYSA-N 1 0 377.913 1.878 20 0 GDADRO C[C@@]1(NC(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC[NH2+]C1 ZINC000612906516 531559565 /nfs/dbraw/zinc/55/95/65/531559565.db2.gz BYNOEOBGOJEJOS-CQSZACIVSA-N 1 0 379.404 1.660 20 0 GDADRO CSC1(CNS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)CC[NH+](C)CC1 ZINC000558484265 531563664 /nfs/dbraw/zinc/56/36/64/531563664.db2.gz WRHMXRAFDRWQHL-UHFFFAOYSA-N 1 0 385.555 1.775 20 0 GDADRO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451191168 531564413 /nfs/dbraw/zinc/56/44/13/531564413.db2.gz MJNPBGUDPKNXAN-NSHDSACASA-N 1 0 387.221 1.351 20 0 GDADRO O=C(NCC[NH2+]Cc1cn2ccc(Br)cc2n1)c1cnccn1 ZINC000558482870 531564378 /nfs/dbraw/zinc/56/43/78/531564378.db2.gz RMCTXFWOAAVEDI-UHFFFAOYSA-N 1 0 375.230 1.406 20 0 GDADRO CC1(C)OCC[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000295349804 531565780 /nfs/dbraw/zinc/56/57/80/531565780.db2.gz YMAUEZPRYBVQRM-ZDUSSCGKSA-N 1 0 384.274 1.661 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000281014642 531566780 /nfs/dbraw/zinc/56/67/80/531566780.db2.gz NWLZTCFANJXQSG-INIZCTEOSA-N 1 0 383.286 1.479 20 0 GDADRO CC[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000416015352 531554188 /nfs/dbraw/zinc/55/41/88/531554188.db2.gz WDOGIIWTAPYQFD-VXGBXAGGSA-N 1 0 382.408 1.364 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659706995 531554244 /nfs/dbraw/zinc/55/42/44/531554244.db2.gz FKLJZIBUKNHUQU-JTQLQIEISA-N 1 0 386.290 1.831 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)Oc1ccc(Br)cc1 ZINC000659703175 531554331 /nfs/dbraw/zinc/55/43/31/531554331.db2.gz WQGCNWNSSYSKPT-GFCCVEGCSA-N 1 0 398.301 1.720 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000268803694 531573346 /nfs/dbraw/zinc/57/33/46/531573346.db2.gz PYBZGOVSJBIOHS-AWEZNQCLSA-N 1 0 398.301 1.787 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000268793981 531571664 /nfs/dbraw/zinc/57/16/64/531571664.db2.gz NHRULRNDTVPZRR-NEPJUHHUSA-N 1 0 388.511 1.648 20 0 GDADRO 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531585926 /nfs/dbraw/zinc/58/59/26/531585926.db2.gz JHAWPYYHBZFVFZ-KRWDZBQOSA-N 1 0 378.579 1.935 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000555942502 531587242 /nfs/dbraw/zinc/58/72/42/531587242.db2.gz WDSSHIFAJANQPS-CYBMUJFWSA-N 1 0 388.295 1.837 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(NS(C)(=O)=O)c1 ZINC000583646792 531587941 /nfs/dbraw/zinc/58/79/41/531587941.db2.gz KMWLIEJNHUMDBC-CJNGLKHVSA-N 1 0 389.543 1.523 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000614065263 531587600 /nfs/dbraw/zinc/58/76/00/531587600.db2.gz XQICZDFRFUTVMO-MRXNPFEDSA-N 1 0 381.274 1.626 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000416388179 531592982 /nfs/dbraw/zinc/59/29/82/531592982.db2.gz MYIQLCBYFYQXQR-LBPRGKRZSA-N 1 0 391.921 1.271 20 0 GDADRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281223929 531594796 /nfs/dbraw/zinc/59/47/96/531594796.db2.gz VDTVAONVMXZUDX-CKLFPEKLSA-N 1 0 377.304 1.907 20 0 GDADRO Cc1ncsc1CCS(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000451357799 531595893 /nfs/dbraw/zinc/59/58/93/531595893.db2.gz YYUZCBLQZUYFIM-AWEZNQCLSA-N 1 0 390.575 1.006 20 0 GDADRO COc1ncc(Br)cc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000660057248 531597513 /nfs/dbraw/zinc/59/75/13/531597513.db2.gz NJIVUXXVJKMXAB-UHFFFAOYSA-N 1 0 399.333 1.743 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)C[C@H]1[NH+](C)C ZINC000451354342 531596612 /nfs/dbraw/zinc/59/66/12/531596612.db2.gz RIFGPFOKRKVFTF-HZPDHXFCSA-N 1 0 385.555 1.947 20 0 GDADRO CN(CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccc(Br)o1 ZINC000494344736 531599307 /nfs/dbraw/zinc/59/93/07/531599307.db2.gz UFTRDDVFGJSIQD-NEPJUHHUSA-N 1 0 384.274 1.857 20 0 GDADRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000269015723 531600397 /nfs/dbraw/zinc/60/03/97/531600397.db2.gz NZTHMRVTEUNURA-JJRVBVJISA-N 1 0 388.555 1.471 20 0 GDADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]CCSc2cccc(Cl)c2)C1 ZINC000660075566 531601381 /nfs/dbraw/zinc/60/13/81/531601381.db2.gz YSFYISVBNXFEDH-CVEARBPZSA-N 1 0 390.958 1.520 20 0 GDADRO COc1ccc(NC(=O)CSCC[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000559449947 531602709 /nfs/dbraw/zinc/60/27/09/531602709.db2.gz GTAVQOMEIAKOCW-UHFFFAOYSA-N 1 0 375.516 1.179 20 0 GDADRO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000269056126 531603534 /nfs/dbraw/zinc/60/35/34/531603534.db2.gz QPIUHKUHIVRBLM-DGCLKSJQSA-N 1 0 392.237 1.130 20 0 GDADRO O=S(=O)(c1ccccc1OC(F)F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660091807 531602232 /nfs/dbraw/zinc/60/22/32/531602232.db2.gz PPQOMISDPGVHRX-CYBMUJFWSA-N 1 0 376.425 1.508 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000637108926 531604065 /nfs/dbraw/zinc/60/40/65/531604065.db2.gz AYPJWOYLDJGRQL-TYNCELHUSA-N 1 0 386.265 1.810 20 0 GDADRO CC(C)[C@@H]([NH3+])C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000269056127 531604339 /nfs/dbraw/zinc/60/43/39/531604339.db2.gz QPIUHKUHIVRBLM-WCQYABFASA-N 1 0 392.237 1.130 20 0 GDADRO CC(C)[C@H](CNS(=O)(=O)CCOCC1CCCC1)N1CC[NH+](C)CC1 ZINC000416408222 531604871 /nfs/dbraw/zinc/60/48/71/531604871.db2.gz OSMINRIFWJQETG-SFHVURJKSA-N 1 0 375.579 1.385 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)C1 ZINC000269116592 531610581 /nfs/dbraw/zinc/61/05/81/531610581.db2.gz UYDHYKBDNOWPIM-LBPRGKRZSA-N 1 0 389.905 1.594 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000269129367 531614065 /nfs/dbraw/zinc/61/40/65/531614065.db2.gz NUUKVSQHGKDPPV-LBPRGKRZSA-N 1 0 389.315 1.822 20 0 GDADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000584349069 531614834 /nfs/dbraw/zinc/61/48/34/531614834.db2.gz AYZQEIHQHCJONW-QGZVFWFLSA-N 1 0 394.269 1.996 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000269174081 531619130 /nfs/dbraw/zinc/61/91/30/531619130.db2.gz WVTRNNVMSKDAJD-AAEUAGOBSA-N 1 0 389.905 1.264 20 0 GDADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H](CO)c1sccc1C)[C@@H]1CCS(=O)(=O)C1 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397.273 1.608 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000269216893 531624658 /nfs/dbraw/zinc/62/46/58/531624658.db2.gz FMYUNAYXSFJWFG-GFCCVEGCSA-N 1 0 386.279 1.656 20 0 GDADRO COc1cc(Br)ccc1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000560094202 531626114 /nfs/dbraw/zinc/62/61/14/531626114.db2.gz LFSODKAUJOJHMV-UHFFFAOYSA-N 1 0 378.288 1.487 20 0 GDADRO COc1cc(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)ccc1Cl ZINC000416462768 531627379 /nfs/dbraw/zinc/62/73/79/531627379.db2.gz SITOOHRFBACTRJ-ZDUSSCGKSA-N 1 0 376.906 1.720 20 0 GDADRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1(C)C ZINC000451503227 531628291 /nfs/dbraw/zinc/62/82/91/531628291.db2.gz PUWZZQXRZMMWIK-STQMWFEESA-N 1 0 375.878 1.329 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ncc1Br ZINC000365203596 531628509 /nfs/dbraw/zinc/62/85/09/531628509.db2.gz XYIKAHMVYDHUSH-NEPJUHHUSA-N 1 0 397.273 1.070 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000269276090 531633781 /nfs/dbraw/zinc/63/37/81/531633781.db2.gz OSIFTVJUFDJMTH-PWSUYJOCSA-N 1 0 381.420 1.472 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1oc2ccccc2c1Br ZINC000637810498 531634827 /nfs/dbraw/zinc/63/48/27/531634827.db2.gz LNZNUTVBXYCQST-UHFFFAOYSA-N 1 0 380.242 1.699 20 0 GDADRO Brc1cnc2c(CN3CC[NH+](C[C@@H]4CCOC4)CC3)cnn2c1 ZINC000638138501 531643610 /nfs/dbraw/zinc/64/36/10/531643610.db2.gz CEZVGKFKICNIMH-ZDUSSCGKSA-N 1 0 380.290 1.646 20 0 GDADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000661217769 531644371 /nfs/dbraw/zinc/64/43/71/531644371.db2.gz XNJZXJLRVQQSHD-BJJXKVORSA-N 1 0 376.906 1.643 20 0 GDADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000661217771 531644899 /nfs/dbraw/zinc/64/48/99/531644899.db2.gz XNJZXJLRVQQSHD-JGGQBBKZSA-N 1 0 376.906 1.643 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000416495379 531646746 /nfs/dbraw/zinc/64/67/46/531646746.db2.gz LOYOKBOBISHKCM-JTQLQIEISA-N 1 0 391.287 1.466 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000637802122 531635093 /nfs/dbraw/zinc/63/50/93/531635093.db2.gz QKWDVBKDGRGRPZ-HUUCEWRRSA-N 1 0 380.286 1.760 20 0 GDADRO C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)C(C)(C)C[NH+](C)C ZINC000660872166 531635476 /nfs/dbraw/zinc/63/54/76/531635476.db2.gz WKUOLCQWSBFKEO-SRVKXCTJSA-N 1 0 387.468 1.580 20 0 GDADRO COC(=O)COC[C@@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000295925625 531637534 /nfs/dbraw/zinc/63/75/34/531637534.db2.gz FIABBFREPJBBSP-CHWSQXEVSA-N 1 0 376.500 1.069 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000560333064 531638486 /nfs/dbraw/zinc/63/84/86/531638486.db2.gz URNKYKAAIQYFAK-CQSZACIVSA-N 1 0 386.543 1.159 20 0 GDADRO CCC[N@H+](C)CC(C)(C)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000662178155 531669775 /nfs/dbraw/zinc/66/97/75/531669775.db2.gz POGVYHXOUDFYNL-UHFFFAOYSA-N 1 0 390.937 1.636 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)cc1C(F)(F)F 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[NH3+]CCc1nc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)cs1 ZINC000638605926 531659187 /nfs/dbraw/zinc/65/91/87/531659187.db2.gz VBACDKKPOMNPHV-NSHDSACASA-N 1 0 382.848 1.972 20 0 GDADRO CN(CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)S(=O)(=O)c1cccs1 ZINC000269381033 531659341 /nfs/dbraw/zinc/65/93/41/531659341.db2.gz XUSRPNYLTDTLKH-KGLIPLIRSA-N 1 0 386.543 1.295 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccccc2C[NH2+]CC2CCSCC2)CC1 ZINC000638605002 531659421 /nfs/dbraw/zinc/65/94/21/531659421.db2.gz NHGNYLZORLGIKV-UHFFFAOYSA-N 1 0 383.583 1.856 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cnn2cc(Br)cnc12 ZINC000617506754 531660382 /nfs/dbraw/zinc/66/03/82/531660382.db2.gz YHUTUBHNBDHMJG-LBPRGKRZSA-N 1 0 397.321 1.494 20 0 GDADRO NC(=O)c1csc(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000661889767 531661778 /nfs/dbraw/zinc/66/17/78/531661778.db2.gz OUDKCGNTYQZACS-UHFFFAOYSA-N 1 0 383.543 1.403 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000638621600 531662164 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CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCCn2cc(Br)cn2)CC1 ZINC000639184614 531683933 /nfs/dbraw/zinc/68/39/33/531683933.db2.gz UXCYFICGJNNHJX-UHFFFAOYSA-N 1 0 393.351 1.876 20 0 GDADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000296346005 531683952 /nfs/dbraw/zinc/68/39/52/531683952.db2.gz RMXGURYLENDBDI-LBPRGKRZSA-N 1 0 394.946 1.848 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662531134 531685462 /nfs/dbraw/zinc/68/54/62/531685462.db2.gz DMGNOFQBQVHWQL-IINYFYTJSA-N 1 0 379.404 1.314 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000281979675 531685463 /nfs/dbraw/zinc/68/54/63/531685463.db2.gz PWTQWGNPOFMNPM-OTYXRUKQSA-N 1 0 382.877 1.281 20 0 GDADRO Cc1nccnc1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639209692 531686790 /nfs/dbraw/zinc/68/67/90/531686790.db2.gz ZIRAOMCANOTESY-UHFFFAOYSA-N 1 0 385.287 1.527 20 0 GDADRO C[NH+]1CCC(CNS(=O)(=O)CCCC(C)(C)C)(N2CCOCC2)CC1 ZINC000416578900 531687278 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CC(C)[NH+]1CCC(Nc2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000504045715 531698072 /nfs/dbraw/zinc/69/80/72/531698072.db2.gz RRPZWGCCGPHQLZ-UHFFFAOYSA-N 1 0 377.308 1.776 20 0 GDADRO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000639652318 531698314 /nfs/dbraw/zinc/69/83/14/531698314.db2.gz GGSKGTWSPVMKEZ-ZIAGYGMSSA-N 1 0 397.324 1.699 20 0 GDADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000618982741 531698436 /nfs/dbraw/zinc/69/84/36/531698436.db2.gz HFTUPFANYHRJJS-JTQLQIEISA-N 1 0 379.935 1.899 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000662930863 531699827 /nfs/dbraw/zinc/69/98/27/531699827.db2.gz WUPHEEITAYMUKJ-CQSZACIVSA-N 1 0 398.301 1.545 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000662566331 531689913 /nfs/dbraw/zinc/68/99/13/531689913.db2.gz DMTWFRXZSYUKDX-ZDUSSCGKSA-N 1 0 381.274 1.374 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000662578761 531689937 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20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000662942466 531701541 /nfs/dbraw/zinc/70/15/41/531701541.db2.gz HVXDWMWWAZRGOW-UHFFFAOYSA-N 1 0 382.302 1.995 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000561477549 531702098 /nfs/dbraw/zinc/70/20/98/531702098.db2.gz QOIXHXFZRBVPEJ-UHFFFAOYSA-N 1 0 380.436 1.406 20 0 GDADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000662943898 531702487 /nfs/dbraw/zinc/70/24/87/531702487.db2.gz DIGPBGZWXUYIJC-KFWWJZLASA-N 1 0 386.265 1.914 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)cn1 ZINC000639916295 531707795 /nfs/dbraw/zinc/70/77/95/531707795.db2.gz LFWPJGDQVRFKPI-OAHLLOKOSA-N 1 0 390.868 1.204 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000591453031 531724296 /nfs/dbraw/zinc/72/42/96/531724296.db2.gz DUJWBDBDQGOPRV-CQSZACIVSA-N 1 0 380.286 1.685 20 0 GDADRO O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)[C@H]1CCn2cncc2C1 ZINC000561626154 531715020 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CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CC([NH+](C)C)C1 ZINC000619879540 531720312 /nfs/dbraw/zinc/72/03/12/531720312.db2.gz AVAOFMMWKWZNOM-XUJLQICISA-N 1 0 385.555 1.295 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000269708008 531721534 /nfs/dbraw/zinc/72/15/34/531721534.db2.gz ARZKTHLCJJNURH-LBPRGKRZSA-N 1 0 389.905 1.041 20 0 GDADRO O=C(CSCc1ccc(Cl)cc1Cl)NCC(=O)N1CC[NH2+]CC1 ZINC000591681497 531734067 /nfs/dbraw/zinc/73/40/67/531734067.db2.gz SOQCQBRWUXCCBS-UHFFFAOYSA-N 1 0 376.309 1.775 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000366303097 531734388 /nfs/dbraw/zinc/73/43/88/531734388.db2.gz IANZRQVYCXUNLU-GWCFXTLKSA-N 1 0 375.288 1.830 20 0 GDADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000591686708 531735699 /nfs/dbraw/zinc/73/56/99/531735699.db2.gz QSBOFIRAZWRDDI-CQSZACIVSA-N 1 0 389.279 1.916 20 0 GDADRO Cc1cc(S(N)(=O)=O)oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000665537774 531736012 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GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)s1 ZINC000416925920 531746598 /nfs/dbraw/zinc/74/65/98/531746598.db2.gz YXCTXQAOXDTMJC-UHFFFAOYSA-N 1 0 388.559 1.720 20 0 GDADRO O=C(CSc1nnnn1CC(F)(F)F)NCCC[NH+]1CCCCCC1 ZINC000592010917 531748069 /nfs/dbraw/zinc/74/80/69/531748069.db2.gz JCMHPISZFFTGKX-UHFFFAOYSA-N 1 0 380.440 1.710 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000416940887 531748228 /nfs/dbraw/zinc/74/82/28/531748228.db2.gz AXCDSQBLQIMDPX-CYBMUJFWSA-N 1 0 376.910 1.291 20 0 GDADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)Nc2ccc(Br)cn2)cnn1C ZINC000562401251 531752774 /nfs/dbraw/zinc/75/27/74/531752774.db2.gz CKHXZDZHFUJCIH-XJKSGUPXSA-N 1 0 394.273 1.944 20 0 GDADRO O=C1NCCC[C@H]1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000666186849 531754042 /nfs/dbraw/zinc/75/40/42/531754042.db2.gz VTFOXPQSGSPXRX-GWCFXTLKSA-N 1 0 387.299 1.783 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000621619928 531754434 /nfs/dbraw/zinc/75/44/34/531754434.db2.gz KGPMOSQSSZGIPP-NSHDSACASA-N 1 0 379.262 1.496 20 0 GDADRO NS(=O)(=O)c1ccc(CNCCC[NH+]2CCCC2)cc1Br ZINC000666217647 531756052 /nfs/dbraw/zinc/75/60/52/531756052.db2.gz HEAYTIGFIBYLAR-UHFFFAOYSA-N 1 0 376.320 1.672 20 0 GDADRO COc1cc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c(Cl)cc1Br ZINC000621834259 531758790 /nfs/dbraw/zinc/75/87/90/531758790.db2.gz DQFMVWYVMLOFHF-ZETCQYMHSA-N 1 0 378.654 1.903 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417205579 531758913 /nfs/dbraw/zinc/75/89/13/531758913.db2.gz IIILLQOXUARNLL-NWDGAFQWSA-N 1 0 383.290 1.558 20 0 GDADRO C[C@@H]1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000417210609 531759017 /nfs/dbraw/zinc/75/90/17/531759017.db2.gz RCNFZYDXCIZCJE-OCCSQVGLSA-N 1 0 397.317 1.805 20 0 GDADRO O=C(CCNC(=O)NCC1=CC[NH2+]CC1)Nc1ccc(Br)cc1 ZINC000417212431 531761266 /nfs/dbraw/zinc/76/12/66/531761266.db2.gz HBRFRPFESNEOIQ-UHFFFAOYSA-N 1 0 381.274 1.997 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622014148 531764571 /nfs/dbraw/zinc/76/45/71/531764571.db2.gz AGUMBUZEZGMSCQ-IINYFYTJSA-N 1 0 375.288 1.960 20 0 GDADRO [NH3+]C1(CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)CCC1 ZINC000640444682 531750242 /nfs/dbraw/zinc/75/02/42/531750242.db2.gz KCZFVRDKUYZULB-CYBMUJFWSA-N 1 0 381.274 1.513 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621554157 531750462 /nfs/dbraw/zinc/75/04/62/531750462.db2.gz YOGODMYQNZLNNC-CQSZACIVSA-N 1 0 392.244 1.907 20 0 GDADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2c(Cl)nc3ccccn32)CC1(C)C ZINC000282662520 531782319 /nfs/dbraw/zinc/78/23/19/531782319.db2.gz VLNLIZJOBGZFPG-UHFFFAOYSA-N 1 0 385.921 1.292 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417400989 531766920 /nfs/dbraw/zinc/76/69/20/531766920.db2.gz AFFGDHNBWSRWLS-GXTWGEPZSA-N 1 0 397.317 1.948 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)C1CCCC1 ZINC000417403676 531767915 /nfs/dbraw/zinc/76/79/15/531767915.db2.gz DLOGLNIJTUSWCP-HNNXBMFYSA-N 1 0 397.317 1.996 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2c(cc1Br)OCO2 ZINC000622075218 531768093 /nfs/dbraw/zinc/76/80/93/531768093.db2.gz VCLPNOUAROHWGT-LLVKDONJSA-N 1 0 385.258 1.754 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417417119 531768619 /nfs/dbraw/zinc/76/86/19/531768619.db2.gz CITINLRNSMKXKY-AWEZNQCLSA-N 1 0 383.290 1.702 20 0 GDADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC)[C@H]1CCS(=O)(=O)C1 ZINC000592168058 531769212 /nfs/dbraw/zinc/76/92/12/531769212.db2.gz GZFAHHJNMYMZAS-RBZJEDDUSA-N 1 0 392.587 1.299 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417430432 531769552 /nfs/dbraw/zinc/76/95/52/531769552.db2.gz JLVSCNYYPDWAFU-LBPRGKRZSA-N 1 0 385.306 1.996 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417433384 531769941 /nfs/dbraw/zinc/76/99/41/531769941.db2.gz JLXQEBSSDJHSBU-IUODEOHRSA-N 1 0 397.317 1.996 20 0 GDADRO CC(C)[NH+](CCN(C)C(=O)NCCNS(=O)(=O)c1cccs1)C(C)C ZINC000508278842 531772423 /nfs/dbraw/zinc/77/24/23/531772423.db2.gz LWIMLPWDJZTUOZ-UHFFFAOYSA-N 1 0 390.575 1.787 20 0 GDADRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000562706464 531772400 /nfs/dbraw/zinc/77/24/00/531772400.db2.gz QLMGTYKDAXFKFP-NSHDSACASA-N 1 0 379.258 1.367 20 0 GDADRO O=C(NCCNC(=O)c1cccc(Br)c1)NCC[C@H]1CCC[NH2+]1 ZINC000417444262 531772602 /nfs/dbraw/zinc/77/26/02/531772602.db2.gz YMVAIJULWFEQCS-CQSZACIVSA-N 1 0 383.290 1.620 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452372089 531774355 /nfs/dbraw/zinc/77/43/55/531774355.db2.gz UOGZMTDNQCBRIK-CQSZACIVSA-N 1 0 395.301 1.982 20 0 GDADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1nc2ncc(Br)cn2n1 ZINC000297261312 531775162 /nfs/dbraw/zinc/77/51/62/531775162.db2.gz UWFLILAKAPFVEA-UHFFFAOYSA-N 1 0 379.262 1.634 20 0 GDADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000622181188 531776963 /nfs/dbraw/zinc/77/69/63/531776963.db2.gz JZFIGFNCFFCYHC-GFCCVEGCSA-N 1 0 397.269 1.849 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCc1ccc(Br)cc1 ZINC000417550233 531779336 /nfs/dbraw/zinc/77/93/36/531779336.db2.gz ZVYBGASVQAZYEI-OAHLLOKOSA-N 1 0 397.317 1.978 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)C[C@H]1[NH+](C)C ZINC000282673567 531783515 /nfs/dbraw/zinc/78/35/15/531783515.db2.gz QQNUXGWHSSUBQK-OLZOCXBDSA-N 1 0 377.919 1.105 20 0 GDADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3sccc3S(N)(=O)=O)C2)CC1 ZINC000667669144 531783727 /nfs/dbraw/zinc/78/37/27/531783727.db2.gz JFWRIUBVDFHSMT-CQSZACIVSA-N 1 0 385.555 1.980 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)ccc1Br ZINC000667630280 531783903 /nfs/dbraw/zinc/78/39/03/531783903.db2.gz JFXBXCJJLDMNCY-UHFFFAOYSA-N 1 0 381.274 1.693 20 0 GDADRO C[NH2+]CCN(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000417789066 531784731 /nfs/dbraw/zinc/78/47/31/531784731.db2.gz MNFGFAZXRLBTLV-UHFFFAOYSA-N 1 0 388.559 1.326 20 0 GDADRO [NH3+]CC1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000297357906 531785314 /nfs/dbraw/zinc/78/53/14/531785314.db2.gz ZRHCAQDNEMGZES-ZDUSSCGKSA-N 1 0 380.286 1.999 20 0 GDADRO Nc1ncc(Br)cc1CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667802586 531785348 /nfs/dbraw/zinc/78/53/48/531785348.db2.gz VLPBEOSQCVHAEV-UHFFFAOYSA-N 1 0 377.246 1.789 20 0 GDADRO O=C(CCOC1C[NH2+]C1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000563055833 531801929 /nfs/dbraw/zinc/80/19/29/531801929.db2.gz XMSSTMYJXITRAC-ZDUSSCGKSA-N 1 0 382.302 1.770 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000667831385 531786317 /nfs/dbraw/zinc/78/63/17/531786317.db2.gz WAINWBARCBXNQH-UHFFFAOYSA-N 1 0 379.262 1.496 20 0 GDADRO O[C@@H](CNCc1ccc(F)cc1I)C[NH+]1CCCC1 ZINC000417881980 531787697 /nfs/dbraw/zinc/78/76/97/531787697.db2.gz UOWRALJVIAJUSH-ZDUSSCGKSA-N 1 0 378.229 1.977 20 0 GDADRO [NH3+]CCOCc1cn(C[C@@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641228598 531787787 /nfs/dbraw/zinc/78/77/87/531787787.db2.gz MGPQZSKDVRQQCH-CYBMUJFWSA-N 1 0 389.225 1.095 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000592491266 531790339 /nfs/dbraw/zinc/79/03/39/531790339.db2.gz IWMIFCHHPVDETE-DOMZBBRYSA-N 1 0 398.301 1.463 20 0 GDADRO O=C(c1ccc(Br)cc1-n1cnnn1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000623018135 531790454 /nfs/dbraw/zinc/79/04/54/531790454.db2.gz XJSOQINVPATAOW-ZDUSSCGKSA-N 1 0 391.273 1.735 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623018612 531791582 /nfs/dbraw/zinc/79/15/82/531791582.db2.gz OWMUPKOYCZJBDW-NSHDSACASA-N 1 0 381.278 1.885 20 0 GDADRO C[C@]1(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CCC[NH2+]C1 ZINC000417923883 531792657 /nfs/dbraw/zinc/79/26/57/531792657.db2.gz HWKYCSXEHDRXII-AWEZNQCLSA-N 1 0 394.950 1.369 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccccc2C(=O)N(C)C)s1 ZINC000417949926 531793744 /nfs/dbraw/zinc/79/37/44/531793744.db2.gz LBRUVHWUBDLZPK-UHFFFAOYSA-N 1 0 381.523 1.826 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1Br ZINC000366946882 531794818 /nfs/dbraw/zinc/79/48/18/531794818.db2.gz UPBAOMGUVOJMBZ-JTQLQIEISA-N 1 0 393.303 1.887 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000562979965 531795057 /nfs/dbraw/zinc/79/50/57/531795057.db2.gz YNOJPAYWBZBNGR-KFWWJZLASA-N 1 0 385.555 1.925 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)NCCC[NH3+])C2=O)ccc1Br ZINC000418002452 531795347 /nfs/dbraw/zinc/79/53/47/531795347.db2.gz AAIDRVINOHOZDZ-AWEZNQCLSA-N 1 0 383.290 1.901 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000563010907 531796401 /nfs/dbraw/zinc/79/64/01/531796401.db2.gz KNGWKCADKVCMFG-XIRDDKMYSA-N 1 0 390.933 1.525 20 0 GDADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@H](C)O1 ZINC000563003749 531797417 /nfs/dbraw/zinc/79/74/17/531797417.db2.gz WNOWSFILXXLBLR-VNHYZAJKSA-N 1 0 390.933 1.303 20 0 GDADRO CCn1c(CNC(=O)NCC[NH2+]CCOC)nc2cc(Br)ccc21 ZINC000418065770 531798561 /nfs/dbraw/zinc/79/85/61/531798561.db2.gz MDPWWZCLELDSLX-UHFFFAOYSA-N 1 0 398.305 1.854 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)cc2[nH]cnc21 ZINC000282817428 531799297 /nfs/dbraw/zinc/79/92/97/531799297.db2.gz RONNSSMSZJSFNO-UHFFFAOYSA-N 1 0 381.274 1.902 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)C1 ZINC000418027311 531799968 /nfs/dbraw/zinc/79/99/68/531799968.db2.gz XBGDAKOQCGUIHD-CYBMUJFWSA-N 1 0 380.290 1.951 20 0 GDADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000563211568 531818582 /nfs/dbraw/zinc/81/85/82/531818582.db2.gz NLNTZHMCRCCLKO-SNVBAGLBSA-N 1 0 380.283 1.160 20 0 GDADRO C[C@@H]1CCN(C(=O)NCc2nn(C)cc2I)[C@H](C[NH3+])C1 ZINC000418244569 531818624 /nfs/dbraw/zinc/81/86/24/531818624.db2.gz AYOZFNKHGPUHTP-ZJUUUORDSA-N 1 0 391.257 1.294 20 0 GDADRO Cn1cc(I)c(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000418271345 531818645 /nfs/dbraw/zinc/81/86/45/531818645.db2.gz ZZQWKOHBQUJZRI-KOLCDFICSA-N 1 0 391.257 1.341 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418147764 531804565 /nfs/dbraw/zinc/80/45/65/531804565.db2.gz MPXDCQNSLMOPJY-LBPRGKRZSA-N 1 0 376.910 1.163 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418137916 531804731 /nfs/dbraw/zinc/80/47/31/531804731.db2.gz DOPSSRWSVMQLJW-ZDUSSCGKSA-N 1 0 390.937 1.681 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000297608493 531805858 /nfs/dbraw/zinc/80/58/58/531805858.db2.gz GFGXEGVKGOETCA-UONOGXRCSA-N 1 0 388.559 1.512 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418146050 531805893 /nfs/dbraw/zinc/80/58/93/531805893.db2.gz JXBYBBANXKWVIT-GFCCVEGCSA-N 1 0 376.910 1.435 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)NCCOc1ccc(I)cc1 ZINC000418151053 531806652 /nfs/dbraw/zinc/80/66/52/531806652.db2.gz DZJKDTAUYSALAB-CYBMUJFWSA-N 1 0 391.253 1.953 20 0 GDADRO NS(=O)(=O)c1ccsc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000668780522 531806994 /nfs/dbraw/zinc/80/69/94/531806994.db2.gz RMLMQHLALHENLX-AWEZNQCLSA-N 1 0 379.507 1.790 20 0 GDADRO CN1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)[C@@H](C[NH3+])C1 ZINC000563211449 531818849 /nfs/dbraw/zinc/81/88/49/531818849.db2.gz MPCSDSLHCNRWAK-LBPRGKRZSA-N 1 0 396.738 1.507 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418157749 531808368 /nfs/dbraw/zinc/80/83/68/531808368.db2.gz ABUUWEIFUCYWJO-BDAKNGLRSA-N 1 0 383.301 1.307 20 0 GDADRO CC[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000669072201 531809305 /nfs/dbraw/zinc/80/93/05/531809305.db2.gz PHCPRICMRKLOLM-SWLSCSKDSA-N 1 0 388.921 1.387 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)C1CC([NH3+])C1 ZINC000563115534 531809446 /nfs/dbraw/zinc/80/94/46/531809446.db2.gz VOMUWMLLRBMBTL-QFWMXSHPSA-N 1 0 389.315 1.807 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCOc1ccc(I)cc1 ZINC000418157404 531809506 /nfs/dbraw/zinc/80/95/06/531809506.db2.gz OISFWWVRICCCFL-GWCFXTLKSA-N 1 0 389.237 1.801 20 0 GDADRO O=C(NCCOc1ccc(I)cc1)NCC1C[NH2+]C1 ZINC000418163034 531809545 /nfs/dbraw/zinc/80/95/45/531809545.db2.gz VJGPPPVQWKGHQP-UHFFFAOYSA-N 1 0 375.210 1.189 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1C(=O)OC(C)C ZINC000563130388 531810614 /nfs/dbraw/zinc/81/06/14/531810614.db2.gz ZYSZKYOVQATESO-AWEZNQCLSA-N 1 0 376.425 1.836 20 0 GDADRO CN(C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC([NH3+])C1 ZINC000418172849 531812388 /nfs/dbraw/zinc/81/23/88/531812388.db2.gz XMRPGAOHKUIHKJ-UHFFFAOYSA-N 1 0 395.312 1.403 20 0 GDADRO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453366280 531812538 /nfs/dbraw/zinc/81/25/38/531812538.db2.gz DCAXLLUEJOAMBP-RNCFNFMXSA-N 1 0 377.304 1.908 20 0 GDADRO COC1([C@@H](C)[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)CCOCC1 ZINC000453163431 531813002 /nfs/dbraw/zinc/81/30/02/531813002.db2.gz QEWBRYJYBRSEMZ-CQSZACIVSA-N 1 0 376.544 1.817 20 0 GDADRO OC[C@H](CN1CCOCC1)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000563137358 531813125 /nfs/dbraw/zinc/81/31/25/531813125.db2.gz CWYFWHZFKHNWPZ-STQMWFEESA-N 1 0 379.284 1.016 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453237813 531813148 /nfs/dbraw/zinc/81/31/48/531813148.db2.gz ZTAOOHFSSJPYKD-MRVPVSSYSA-N 1 0 386.230 1.630 20 0 GDADRO CC1(CNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000563158626 531813634 /nfs/dbraw/zinc/81/36/34/531813634.db2.gz HDMBLMFNTLGMHP-UHFFFAOYSA-N 1 0 394.324 1.778 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CCO1 ZINC000669476267 531813777 /nfs/dbraw/zinc/81/37/77/531813777.db2.gz NBDDGBMXOZBJRT-WOSRLPQWSA-N 1 0 397.317 1.785 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1C ZINC000563164332 531813976 /nfs/dbraw/zinc/81/39/76/531813976.db2.gz LEHXDICPOUPJII-NXEZZACHSA-N 1 0 380.297 1.481 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000418184079 531814071 /nfs/dbraw/zinc/81/40/71/531814071.db2.gz MLNVLOICYCIZGY-GXTWGEPZSA-N 1 0 388.921 1.305 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000515863107 531814456 /nfs/dbraw/zinc/81/44/56/531814456.db2.gz ILDOHDPOUCQXIK-BXKDBHETSA-N 1 0 375.288 1.884 20 0 GDADRO CCN1C[C@H]([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1=O ZINC000453375641 531814592 /nfs/dbraw/zinc/81/45/92/531814592.db2.gz XIXZWKFXIPMKSD-MWLCHTKSSA-N 1 0 390.303 1.368 20 0 GDADRO CO[C@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)[C@H](C[NH3+])C1 ZINC000563152721 531814772 /nfs/dbraw/zinc/81/47/72/531814772.db2.gz YIJYNQLIIGQEIO-STQMWFEESA-N 1 0 390.347 1.907 20 0 GDADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453576558 531815726 /nfs/dbraw/zinc/81/57/26/531815726.db2.gz VUQIQHXCXLRWPG-LLVKDONJSA-N 1 0 378.654 1.080 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CCO1 ZINC000669581075 531816098 /nfs/dbraw/zinc/81/60/98/531816098.db2.gz FOWPZJDVIYPUMB-PELMWDNLSA-N 1 0 388.237 1.779 20 0 GDADRO Cn1cc(Br)c(CNC(=O)NCCC[NH2+]Cc2cccnc2)n1 ZINC000418248373 531817842 /nfs/dbraw/zinc/81/78/42/531817842.db2.gz RZXHCZZECLNVDJ-UHFFFAOYSA-N 1 0 381.278 1.557 20 0 GDADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418493657 531827394 /nfs/dbraw/zinc/82/73/94/531827394.db2.gz WPIMEQSRTCOZTF-WBMJQRKESA-N 1 0 384.318 1.945 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)N[C@@H](C)CC[NH3+])cc1Br ZINC000418516002 531827502 /nfs/dbraw/zinc/82/75/02/531827502.db2.gz BZHQTRFIOOWPAR-WCQYABFASA-N 1 0 388.306 1.645 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)C[C@@H]1[NH+](C)C ZINC000283097832 531828707 /nfs/dbraw/zinc/82/87/07/531828707.db2.gz FWSOVHFFTZUTQH-UONOGXRCSA-N 1 0 389.518 1.194 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000670271251 531828848 /nfs/dbraw/zinc/82/88/48/531828848.db2.gz DHDIVAWOQGKSCH-QFWMXSHPSA-N 1 0 389.905 1.736 20 0 GDADRO COc1ncc(Br)c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000641468309 531829170 /nfs/dbraw/zinc/82/91/70/531829170.db2.gz PDUHLOPUPHHURY-GXTWGEPZSA-N 1 0 384.322 1.710 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000418294068 531819442 /nfs/dbraw/zinc/81/94/42/531819442.db2.gz FVYQQLYOMYPSIS-UHFFFAOYSA-N 1 0 399.333 1.894 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000418302622 531819579 /nfs/dbraw/zinc/81/95/79/531819579.db2.gz TWGWARJDDZYWOX-UHFFFAOYSA-N 1 0 375.300 1.403 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000418524424 531829821 /nfs/dbraw/zinc/82/98/21/531829821.db2.gz LDNMJQPBKYWFEJ-RYUDHWBXSA-N 1 0 398.305 1.942 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418671981 531832846 /nfs/dbraw/zinc/83/28/46/531832846.db2.gz NFBWVPRMZSKSQE-YYWXWVFPSA-N 1 0 382.302 1.426 20 0 GDADRO C[C@H](CN(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1nccs1 ZINC000418618284 531833048 /nfs/dbraw/zinc/83/30/48/531833048.db2.gz OGHXFVZKPNDIMC-VXGBXAGGSA-N 1 0 379.452 1.724 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000418699536 531833941 /nfs/dbraw/zinc/83/39/41/531833941.db2.gz NWXBQIXXFKRZHX-VXGBXAGGSA-N 1 0 383.290 1.652 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418696444 531834500 /nfs/dbraw/zinc/83/45/00/531834500.db2.gz KTHLORBVEGWLOS-SRVKXCTJSA-N 1 0 388.306 1.644 20 0 GDADRO C[C@@H](NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)[C@H](C)[NH3+] ZINC000418701875 531834601 /nfs/dbraw/zinc/83/46/01/531834601.db2.gz PLQPFHUHJKDXFV-UMNHJUIQSA-N 1 0 376.270 1.774 20 0 GDADRO C[C@@H](NC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)[C@H](C)[NH3+] ZINC000418703511 531834790 /nfs/dbraw/zinc/83/47/90/531834790.db2.gz QVNXQAUJXHYISU-HOSYDEDBSA-N 1 0 376.270 1.774 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H](O)COc2ccccc2Br)C1 ZINC000418777904 531839545 /nfs/dbraw/zinc/83/95/45/531839545.db2.gz ZAQMGIMINGXEAZ-FRRDWIJNSA-N 1 0 386.290 1.615 20 0 GDADRO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000297995067 531839664 /nfs/dbraw/zinc/83/96/64/531839664.db2.gz YEISYJGVXMKHKO-LBPRGKRZSA-N 1 0 387.933 1.664 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000418579250 531831662 /nfs/dbraw/zinc/83/16/62/531831662.db2.gz QYQFSEGPXMEZPZ-XJKCOSOUSA-N 1 0 384.318 1.897 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000418583859 531832245 /nfs/dbraw/zinc/83/22/45/531832245.db2.gz AXQMQNJZDSIIPD-QWRGUYRKSA-N 1 0 384.278 1.551 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000418835303 531848945 /nfs/dbraw/zinc/84/89/45/531848945.db2.gz SNWMDCAGNHNOLG-LALPHHSUSA-N 1 0 398.276 1.804 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000418834644 531848998 /nfs/dbraw/zinc/84/89/98/531848998.db2.gz OXLTUZOBHMFVSH-AQNFWKISSA-N 1 0 380.286 1.617 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418834071 531849309 /nfs/dbraw/zinc/84/93/09/531849309.db2.gz RBJQSOLGGYWQEX-UEEZHKSASA-N 1 0 380.286 1.535 20 0 GDADRO Cc1cc(CNC(=O)C(=O)NCC(C)(C)[NH3+])ccc1I ZINC000418836637 531850299 /nfs/dbraw/zinc/85/02/99/531850299.db2.gz VAIRWLFPODHOEY-UHFFFAOYSA-N 1 0 389.237 1.069 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000563567725 531851485 /nfs/dbraw/zinc/85/14/85/531851485.db2.gz QNHRIELOLNOGFS-VIKVFOODSA-N 1 0 395.301 1.315 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418844603 531851976 /nfs/dbraw/zinc/85/19/76/531851976.db2.gz MMPBXEJAEXGILL-LNSITVRQSA-N 1 0 380.286 1.317 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418843723 531852129 /nfs/dbraw/zinc/85/21/29/531852129.db2.gz KMKARUMZBNKLTF-DOMZBBRYSA-N 1 0 382.302 1.707 20 0 GDADRO Cn1ncc(Br)c1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000641786493 531852461 /nfs/dbraw/zinc/85/24/61/531852461.db2.gz DKNTYJAOUDXMEH-CQSZACIVSA-N 1 0 386.338 1.069 20 0 GDADRO CCC1([NH+]2CCOCC2)CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000624703824 531853286 /nfs/dbraw/zinc/85/32/86/531853286.db2.gz XFULADDPYSWJFC-UHFFFAOYSA-N 1 0 385.306 1.624 20 0 GDADRO [NH3+]C/C=C\CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000641867239 531854318 /nfs/dbraw/zinc/85/43/18/531854318.db2.gz OZOYCRLROCZZRX-UPHRSURJSA-N 1 0 382.262 1.965 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418851954 531854409 /nfs/dbraw/zinc/85/44/09/531854409.db2.gz GLJVSUQBCXTILC-ZDUSSCGKSA-N 1 0 382.302 1.961 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418848664 531854539 /nfs/dbraw/zinc/85/45/39/531854539.db2.gz ZODGZAWRMUGJES-ZDUSSCGKSA-N 1 0 394.313 1.922 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418852000 531854670 /nfs/dbraw/zinc/85/46/70/531854670.db2.gz UAZFEVTZAWQBGT-ZYHUDNBSSA-N 1 0 386.265 1.443 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000418786843 531840976 /nfs/dbraw/zinc/84/09/76/531840976.db2.gz SKXCRLOUCJFCBY-RYUDHWBXSA-N 1 0 398.301 1.578 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000418789318 531841222 /nfs/dbraw/zinc/84/12/22/531841222.db2.gz WKAFALMJNVZFKS-HZMBPMFUSA-N 1 0 384.274 1.331 20 0 GDADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624387430 531841290 /nfs/dbraw/zinc/84/12/90/531841290.db2.gz PIRHOYFYHMAFDR-GFCCVEGCSA-N 1 0 392.905 1.540 20 0 GDADRO O=C(CNC(=O)NC[C@H]1C[NH2+]CCCO1)Nc1cccc(Br)c1 ZINC000418790196 531841280 /nfs/dbraw/zinc/84/12/80/531841280.db2.gz MLNOOSJMNBZCFB-CYBMUJFWSA-N 1 0 385.262 1.065 20 0 GDADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000624402190 531842874 /nfs/dbraw/zinc/84/28/74/531842874.db2.gz MZKDWXDEPABKMD-UHFFFAOYSA-N 1 0 381.267 1.683 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCSC3(CCCCC3)C2)CCSC1 ZINC000671072010 531844815 /nfs/dbraw/zinc/84/48/15/531844815.db2.gz ZVIJAHBLFNDDQR-KRWDZBQOSA-N 1 0 385.599 1.818 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2Br)[C@@H]1C[NH3+] ZINC000418810946 531845064 /nfs/dbraw/zinc/84/50/64/531845064.db2.gz HOQPFYCYFLLQOI-IINYFYTJSA-N 1 0 386.265 1.790 20 0 GDADRO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000283244066 531845286 /nfs/dbraw/zinc/84/52/86/531845286.db2.gz DKJOZIPRCPRBBM-CQSZACIVSA-N 1 0 384.889 1.359 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC[NH2+]1 ZINC000418813879 531845305 /nfs/dbraw/zinc/84/53/05/531845305.db2.gz UKQQFGQWHAKTJL-UKKRHICBSA-N 1 0 386.315 1.739 20 0 GDADRO COc1cc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(OC)cc1Br ZINC000624405607 531845362 /nfs/dbraw/zinc/84/53/62/531845362.db2.gz NJTUDVQNJVYYBF-UWVGGRQHSA-N 1 0 393.303 1.885 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000624406052 531845388 /nfs/dbraw/zinc/84/53/88/531845388.db2.gz UAQMJGACOBORIN-KGLIPLIRSA-N 1 0 387.571 1.872 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000563477852 531845635 /nfs/dbraw/zinc/84/56/35/531845635.db2.gz XHOSEAGAAOKZRM-UHFFFAOYSA-N 1 0 380.246 1.447 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418822701 531845729 /nfs/dbraw/zinc/84/57/29/531845729.db2.gz AZDXKLBSAHXAQO-LSDHHAIUSA-N 1 0 380.286 1.680 20 0 GDADRO CO[C@H](C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc(Cl)cc1 ZINC000283270313 531845890 /nfs/dbraw/zinc/84/58/90/531845890.db2.gz WOFKTPOXMWQBGO-GVDBMIGSSA-N 1 0 388.917 1.115 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418817696 531846117 /nfs/dbraw/zinc/84/61/17/531846117.db2.gz NEADLNILNRLINN-TYNCELHUSA-N 1 0 386.279 1.460 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418819415 531846212 /nfs/dbraw/zinc/84/62/12/531846212.db2.gz DBIOVJNQLBHLAZ-UQFNBPPOSA-N 1 0 380.286 1.617 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000418828370 531847702 /nfs/dbraw/zinc/84/77/02/531847702.db2.gz MKVGDTGYBZYCRF-JHJVBQTASA-N 1 0 398.276 1.771 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418826099 531847866 /nfs/dbraw/zinc/84/78/66/531847866.db2.gz FRDAEJGPJKVCNM-UHOFOFEASA-N 1 0 394.313 1.927 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418825854 531848001 /nfs/dbraw/zinc/84/80/01/531848001.db2.gz KBXKXZLGEXQLDB-YODMDTAWSA-N 1 0 380.286 1.665 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418933078 531865849 /nfs/dbraw/zinc/86/58/49/531865849.db2.gz DCTBTKFFMGLEKL-MRXNPFEDSA-N 1 0 384.274 1.141 20 0 GDADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc(I)cc1 ZINC000595119934 531866704 /nfs/dbraw/zinc/86/67/04/531866704.db2.gz BETIAPIKPFDQQP-GFCCVEGCSA-N 1 0 382.267 1.943 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2([NH3+])CCCC2)c1OC ZINC000595119539 531866758 /nfs/dbraw/zinc/86/67/58/531866758.db2.gz FPGSGUNWWGGQLI-UHFFFAOYSA-N 1 0 376.862 1.685 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000672593551 531867471 /nfs/dbraw/zinc/86/74/71/531867471.db2.gz XTRHGPLHYSKYAQ-DOMZBBRYSA-N 1 0 382.302 1.973 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000418941285 531867662 /nfs/dbraw/zinc/86/76/62/531867662.db2.gz KAKUZEUCGZTJFI-XHDPSFHLSA-N 1 0 380.286 1.621 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C[C@@H]1[NH+](C)C ZINC000270424076 531868555 /nfs/dbraw/zinc/86/85/55/531868555.db2.gz DQQRAQNDULXSMU-LSDHHAIUSA-N 1 0 382.917 1.987 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+](C)C(C)C)c(C)c1NS(C)(=O)=O ZINC000672841519 531868898 /nfs/dbraw/zinc/86/88/98/531868898.db2.gz YLPGADWVRZTUGX-UHFFFAOYSA-N 1 0 391.559 1.602 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000418854541 531855618 /nfs/dbraw/zinc/85/56/18/531855618.db2.gz BLTXJKYDSZRLLK-DFBGVHRSSA-N 1 0 380.286 1.979 20 0 GDADRO Cc1noc(C)c1S(=O)(=O)NCC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000298137002 531856396 /nfs/dbraw/zinc/85/63/96/531856396.db2.gz MQWJBQUSYGIALO-GFCCVEGCSA-N 1 0 386.499 1.050 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418853297 531856410 /nfs/dbraw/zinc/85/64/10/531856410.db2.gz JDGLAIDSDKCIIG-IIAWOOMASA-N 1 0 394.313 1.878 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418852964 531856558 /nfs/dbraw/zinc/85/65/58/531856558.db2.gz WMSUIGUYCUQMQZ-LBPRGKRZSA-N 1 0 388.281 1.881 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cn1 ZINC000418867253 531858954 /nfs/dbraw/zinc/85/89/54/531858954.db2.gz OCSDPCWKTSIJGL-NEPJUHHUSA-N 1 0 383.290 1.527 20 0 GDADRO O=C(Nc1cnc2c(Br)cccn12)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000563707080 531862010 /nfs/dbraw/zinc/86/20/10/531862010.db2.gz LWQAPNCRUFSRDB-JTQLQIEISA-N 1 0 390.245 1.693 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000563705587 531862659 /nfs/dbraw/zinc/86/26/59/531862659.db2.gz FHFPKQKOZDXOSZ-RYUDHWBXSA-N 1 0 385.306 1.994 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000642769526 531862796 /nfs/dbraw/zinc/86/27/96/531862796.db2.gz SNLZLYZPDQNUJD-GWCFXTLKSA-N 1 0 388.299 1.502 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418917713 531863265 /nfs/dbraw/zinc/86/32/65/531863265.db2.gz BPBUITCQOLIMIW-GXFFZTMASA-N 1 0 386.265 1.491 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642724324 531863483 /nfs/dbraw/zinc/86/34/83/531863483.db2.gz BIKFUDHOKYSHFV-BXUZGUMPSA-N 1 0 396.285 1.284 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2cc(Br)ccc2F)C[C@@H](C)[NH2+]1 ZINC000418922333 531863679 /nfs/dbraw/zinc/86/36/79/531863679.db2.gz KRYUDEMISKMSLU-GHMZBOCLSA-N 1 0 386.265 1.456 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000563809596 531863822 /nfs/dbraw/zinc/86/38/22/531863822.db2.gz JGYFEZNODPTLAO-XPTSAGLGSA-N 1 0 389.315 1.889 20 0 GDADRO CC[NH2+]CCCNS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C ZINC000563810738 531863836 /nfs/dbraw/zinc/86/38/36/531863836.db2.gz UHJXUHYVNLYYEK-UHFFFAOYSA-N 1 0 392.319 1.994 20 0 GDADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000563810595 531863888 /nfs/dbraw/zinc/86/38/88/531863888.db2.gz RHQHJNWCWFSRIU-JTQLQIEISA-N 1 0 377.894 1.184 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCCSc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000418919202 531863883 /nfs/dbraw/zinc/86/38/83/531863883.db2.gz WZGVXOJWTAXYFT-KBPBESRZSA-N 1 0 385.917 1.513 20 0 GDADRO Cc1ccc(OC[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)c(C)c1 ZINC000563806348 531864133 /nfs/dbraw/zinc/86/41/33/531864133.db2.gz RMWQRIHTEQABFF-OAHLLOKOSA-N 1 0 384.523 1.673 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000270404344 531865463 /nfs/dbraw/zinc/86/54/63/531865463.db2.gz GEUNLQSJVRXTCI-UONOGXRCSA-N 1 0 396.285 1.381 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000418948801 531870502 /nfs/dbraw/zinc/87/05/02/531870502.db2.gz QWYZJMZNHHNJLM-IINYFYTJSA-N 1 0 386.265 1.933 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c1OC ZINC000564959165 531871817 /nfs/dbraw/zinc/87/18/17/531871817.db2.gz XSUODDZVAWSSBP-SNVBAGLBSA-N 1 0 376.862 1.413 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595239980 531871903 /nfs/dbraw/zinc/87/19/03/531871903.db2.gz JEEHWDDTRWHPMY-UHFFFAOYSA-N 1 0 386.246 1.370 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cccc(I)c1 ZINC000595247173 531872168 /nfs/dbraw/zinc/87/21/68/531872168.db2.gz BSCRHFBPOPLVPG-UHFFFAOYSA-N 1 0 385.205 1.179 20 0 GDADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000564970345 531872296 /nfs/dbraw/zinc/87/22/96/531872296.db2.gz VWTKSUYUNJSREZ-VXGBXAGGSA-N 1 0 382.404 1.841 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCC[NH+](C)C ZINC000298292893 531872795 /nfs/dbraw/zinc/87/27/95/531872795.db2.gz DLKZWZVEAXRJRY-INIZCTEOSA-N 1 0 387.571 1.463 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595253552 531873633 /nfs/dbraw/zinc/87/36/33/531873633.db2.gz YJSWDULRYMIRIV-UHFFFAOYSA-N 1 0 399.232 1.488 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000418967531 531874208 /nfs/dbraw/zinc/87/42/08/531874208.db2.gz PNFXCAXFGAMNOK-ZETCQYMHSA-N 1 0 395.628 1.024 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000595332643 531874896 /nfs/dbraw/zinc/87/48/96/531874896.db2.gz QZCKXUVVLWLANQ-UHFFFAOYSA-N 1 0 393.303 1.854 20 0 GDADRO Cc1cc(CNC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000418989841 531875168 /nfs/dbraw/zinc/87/51/68/531875168.db2.gz KNNMINCIGPIACS-PBWFPOADSA-N 1 0 380.286 1.773 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000418986970 531875228 /nfs/dbraw/zinc/87/52/28/531875228.db2.gz GTBDIDIWFMUXHM-TZMCWYRMSA-N 1 0 382.302 1.612 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418990227 531876223 /nfs/dbraw/zinc/87/62/23/531876223.db2.gz LAYYZILWIVKKCV-ZIAGYGMSSA-N 1 0 380.286 1.176 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1Br ZINC000418998334 531877116 /nfs/dbraw/zinc/87/71/16/531877116.db2.gz VUMIQEYMJTUBOY-OCCSQVGLSA-N 1 0 382.302 1.878 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1Br ZINC000419008462 531878152 /nfs/dbraw/zinc/87/81/52/531878152.db2.gz LKLBBZMDNNZBEH-COPLHBTASA-N 1 0 398.301 1.892 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419032223 531884477 /nfs/dbraw/zinc/88/44/77/531884477.db2.gz ASPISUPTTGVWSJ-QMMMGPOBSA-N 1 0 382.675 1.947 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419016828 531879758 /nfs/dbraw/zinc/87/97/58/531879758.db2.gz FLSDQXQUDDLYPH-YRGRVCCFSA-N 1 0 396.285 1.775 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1Br ZINC000419011860 531880339 /nfs/dbraw/zinc/88/03/39/531880339.db2.gz UDDAIHSEITWKPC-ZANVPECISA-N 1 0 384.274 1.488 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000419011731 531880582 /nfs/dbraw/zinc/88/05/82/531880582.db2.gz TVJFUXQHRYLKAB-ZKYQVNSYSA-N 1 0 398.301 1.879 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419021549 531881550 /nfs/dbraw/zinc/88/15/50/531881550.db2.gz MMHJLPVKJZDTRK-SWLSCSKDSA-N 1 0 398.301 1.073 20 0 GDADRO CC1CC[NH+](CCNC(=O)C(=O)N(C)Cc2cc(Br)cn2C)CC1 ZINC000283639849 531881741 /nfs/dbraw/zinc/88/17/41/531881741.db2.gz AOXMNJQDMHUOMR-UHFFFAOYSA-N 1 0 399.333 1.594 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419021425 531882057 /nfs/dbraw/zinc/88/20/57/531882057.db2.gz MEUSRLRYILSGMI-XHDPSFHLSA-N 1 0 382.302 1.740 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000566317895 531884540 /nfs/dbraw/zinc/88/45/40/531884540.db2.gz JZYFIZRYHQWEOR-ZIAGYGMSSA-N 1 0 386.543 1.218 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419027052 531883473 /nfs/dbraw/zinc/88/34/73/531883473.db2.gz VKWOSTJGVMVKHB-GWCFXTLKSA-N 1 0 384.274 1.361 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419026028 531883527 /nfs/dbraw/zinc/88/35/27/531883527.db2.gz SXMIXYTZXPHGTP-RISCZKNCSA-N 1 0 396.285 1.505 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418947504 531870278 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[NH3+]C1(CC(=O)NC[C@H](O)COc2ccc(I)cc2)CC1 ZINC000595933449 531894140 /nfs/dbraw/zinc/89/41/40/531894140.db2.gz UOQGREAUKRDURN-NSHDSACASA-N 1 0 390.221 1.029 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419056523 531895398 /nfs/dbraw/zinc/89/53/98/531895398.db2.gz RHXAGFNSPZMKHN-LBPRGKRZSA-N 1 0 380.286 1.532 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000419056336 531895406 /nfs/dbraw/zinc/89/54/06/531895406.db2.gz QSHHZGYOOSHFDZ-LALPHHSUSA-N 1 0 382.302 1.753 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419060599 531895903 /nfs/dbraw/zinc/89/59/03/531895903.db2.gz ZJNQSTJNBOPSJX-DYEKYZERSA-N 1 0 382.302 1.753 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419060327 531896117 /nfs/dbraw/zinc/89/61/17/531896117.db2.gz ZBYAMQFAQZWBBT-ONGXEEELSA-N 1 0 388.693 1.914 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419060324 531896285 /nfs/dbraw/zinc/89/62/85/531896285.db2.gz ZBYAMQFAQZWBBT-KOLCDFICSA-N 1 0 388.693 1.914 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419078389 531898333 /nfs/dbraw/zinc/89/83/33/531898333.db2.gz ZAAXSLHNFFFXTO-JTQLQIEISA-N 1 0 388.693 1.835 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419083322 531898909 /nfs/dbraw/zinc/89/89/09/531898909.db2.gz WGNAXSROAOYCOZ-UHFFFAOYSA-N 1 0 394.313 1.855 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(CC(=O)N(C)Cc2cc(Br)cs2)CCO1 ZINC000647863595 531899015 /nfs/dbraw/zinc/89/90/15/531899015.db2.gz FWZLGYRBVKPCOD-ZWNOBZJWSA-N 1 0 376.320 1.517 20 0 GDADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000595963350 531899151 /nfs/dbraw/zinc/89/91/51/531899151.db2.gz LBHPOHPMZCALED-NWDGAFQWSA-N 1 0 394.640 1.925 20 0 GDADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419032987 531884749 /nfs/dbraw/zinc/88/47/49/531884749.db2.gz BVBJUNXQWGFFNL-CQSZACIVSA-N 1 0 388.295 1.537 20 0 GDADRO CC(C)(CO)[NH+]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000673894940 531884983 /nfs/dbraw/zinc/88/49/83/531884983.db2.gz IOHFDGCJENOVGC-UHFFFAOYSA-N 1 0 385.262 1.981 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000455868858 531885184 /nfs/dbraw/zinc/88/51/84/531885184.db2.gz QQCNJQJRYLMDHT-NSHDSACASA-N 1 0 386.294 1.752 20 0 GDADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)C(=O)N1CC[NH2+]CC1 ZINC000419037161 531885487 /nfs/dbraw/zinc/88/54/87/531885487.db2.gz HPXARFWAGNHABT-UHFFFAOYSA-N 1 0 380.659 1.574 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000419039405 531885575 /nfs/dbraw/zinc/88/55/75/531885575.db2.gz HCWCEJFYRMXFBS-SECBINFHSA-N 1 0 378.420 1.797 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000283673487 531885842 /nfs/dbraw/zinc/88/58/42/531885842.db2.gz FIAVKPKDHHXPDD-UHFFFAOYSA-N 1 0 376.320 1.927 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419037180 531885912 /nfs/dbraw/zinc/88/59/12/531885912.db2.gz HSJUPUWWPJUHBL-HONMWMINSA-N 1 0 396.285 1.503 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1nc(C(F)(F)F)cs1 ZINC000419042165 531887461 /nfs/dbraw/zinc/88/74/61/531887461.db2.gz KZELAMGROOAAPQ-YMTOWFKASA-N 1 0 376.404 1.551 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000419044227 531888614 /nfs/dbraw/zinc/88/86/14/531888614.db2.gz SVGUCXXIXKWAIM-VIFPVBQESA-N 1 0 380.659 1.701 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CCC1 ZINC000419043803 531888695 /nfs/dbraw/zinc/88/86/95/531888695.db2.gz RVGJWSWXEWGINN-LBPRGKRZSA-N 1 0 382.258 1.387 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1nc(C(F)(F)F)cs1 ZINC000419042546 531888933 /nfs/dbraw/zinc/88/89/33/531888933.db2.gz LUGPONDAPRVLGD-NXEZZACHSA-N 1 0 378.420 1.988 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nc(C2CC2)ncc1Br ZINC000368064238 531889911 /nfs/dbraw/zinc/88/99/11/531889911.db2.gz NDMJZQIRHFUKIU-VXGBXAGGSA-N 1 0 381.274 1.710 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)[C@@H]1C[NH3+] ZINC000419044956 531890086 /nfs/dbraw/zinc/89/00/86/531890086.db2.gz UXGNINVLRVRLHN-IINYFYTJSA-N 1 0 386.265 1.790 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(I)cn1 ZINC000455980730 531890188 /nfs/dbraw/zinc/89/01/88/531890188.db2.gz CNRXAEBWQKVURF-GFCCVEGCSA-N 1 0 389.237 1.263 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)C[C@@H]1[NH+](C)C ZINC000270536482 531890305 /nfs/dbraw/zinc/89/03/05/531890305.db2.gz WMNVAPBWWJNGQI-KBPBESRZSA-N 1 0 375.491 1.315 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(I)cn2)C[C@@H]1[NH+](C)C ZINC000456002429 531890464 /nfs/dbraw/zinc/89/04/64/531890464.db2.gz NMZPAOZHOHHTFM-NWDGAFQWSA-N 1 0 391.278 1.804 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H](C)Cc2ccccc2Br)C1 ZINC000419050218 531890887 /nfs/dbraw/zinc/89/08/87/531890887.db2.gz CZTCCEFIEXVZJA-BZPMIXESSA-N 1 0 382.302 1.692 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000419154076 531906266 /nfs/dbraw/zinc/90/62/66/531906266.db2.gz XBASWZAMVHHYRA-UHFFFAOYSA-N 1 0 398.301 1.422 20 0 GDADRO CS[C@H]1CN(CC(=O)NCCc2nc3ccccc3s2)C[C@H]1[NH+](C)C ZINC000270658531 531906317 /nfs/dbraw/zinc/90/63/17/531906317.db2.gz OAOOZESKZIQTNR-ZBFHGGJFSA-N 1 0 378.567 1.932 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568490845 531907626 /nfs/dbraw/zinc/90/76/26/531907626.db2.gz CPXQRGNONZWTCW-LLVKDONJSA-N 1 0 399.289 1.250 20 0 GDADRO O=C1CCCN1C[C@H](O)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000674878915 531908244 /nfs/dbraw/zinc/90/82/44/531908244.db2.gz SRZPIHVTHNDYQM-GDBMZVCRSA-N 1 0 382.302 1.601 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)nc1)c1ccsc1 ZINC000270677917 531909566 /nfs/dbraw/zinc/90/95/66/531909566.db2.gz UDENUHOXOTUBRE-CQSZACIVSA-N 1 0 382.511 1.603 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000568512183 531909677 /nfs/dbraw/zinc/90/96/77/531909677.db2.gz NJZBGFANWRJGTD-TZMCWYRMSA-N 1 0 389.518 1.046 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CCCC1)C(=O)N1CC[NH2+]CC1 ZINC000419189162 531910030 /nfs/dbraw/zinc/91/00/30/531910030.db2.gz HKJAYOPSQLZEAM-UHFFFAOYSA-N 1 0 394.313 1.809 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419185871 531910778 /nfs/dbraw/zinc/91/07/78/531910778.db2.gz PNGLVAFPBNQXNJ-MVWJERBFSA-N 1 0 386.315 1.631 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000568526675 531911905 /nfs/dbraw/zinc/91/19/05/531911905.db2.gz IMYIXWIWQXTIIG-YUMQZZPRSA-N 1 0 389.275 1.531 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CCO1 ZINC000647861678 531900130 /nfs/dbraw/zinc/90/01/30/531900130.db2.gz FAPQZLFDMCCJNB-PELKAZGASA-N 1 0 378.217 1.714 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000567612622 531900279 /nfs/dbraw/zinc/90/02/79/531900279.db2.gz YAHMXRZOVVGLHW-CHWSQXEVSA-N 1 0 377.532 1.121 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C(=O)OC)c1ccccc1Br ZINC000595969589 531900329 /nfs/dbraw/zinc/90/03/29/531900329.db2.gz FWVDIXMNIVIZIM-WCQYABFASA-N 1 0 387.230 1.060 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000419113265 531900995 /nfs/dbraw/zinc/90/09/95/531900995.db2.gz LJNWCEZXQQMUFA-GHMZBOCLSA-N 1 0 388.331 1.613 20 0 GDADRO O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419105816 531901397 /nfs/dbraw/zinc/90/13/97/531901397.db2.gz NUURJEGOWYTVIJ-LLVKDONJSA-N 1 0 382.873 1.061 20 0 GDADRO O=S1(=O)CCCN1CC[NH2+]Cc1cccc(I)c1 ZINC000283837579 531902523 /nfs/dbraw/zinc/90/25/23/531902523.db2.gz HDMQTHNMPLTJJW-UHFFFAOYSA-N 1 0 380.251 1.416 20 0 GDADRO CC(C)([NH2+]CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000298598838 531902995 /nfs/dbraw/zinc/90/29/95/531902995.db2.gz LCCBOZAWVAIGSU-CYBMUJFWSA-N 1 0 387.889 1.178 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000647906666 531903057 /nfs/dbraw/zinc/90/30/57/531903057.db2.gz DJHYMDLMDLADET-GJZGRUSLSA-N 1 0 388.555 1.313 20 0 GDADRO CO[C@@H]1CCN(CCS(=O)(=O)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000647906988 531903736 /nfs/dbraw/zinc/90/37/36/531903736.db2.gz QFRHPZLAJYLHOE-UONOGXRCSA-N 1 0 391.331 1.661 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000283954488 531914118 /nfs/dbraw/zinc/91/41/18/531914118.db2.gz IIBRAZMEGNKBHZ-UHFFFAOYSA-N 1 0 396.329 1.908 20 0 GDADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000568745874 531917173 /nfs/dbraw/zinc/91/71/73/531917173.db2.gz DLOXREVJMUXRMM-WBMJQRKESA-N 1 0 391.896 1.781 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000419251480 531918385 /nfs/dbraw/zinc/91/83/85/531918385.db2.gz RKFIBFFMTJXNMI-GWCFXTLKSA-N 1 0 398.326 1.780 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)[C@H](C)C[NH2+]1 ZINC000419254095 531918551 /nfs/dbraw/zinc/91/85/51/531918551.db2.gz VDNLPRITCYRWMN-BREBYQMCSA-N 1 0 398.326 1.921 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cc1Br ZINC000456511938 531919276 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C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419265835 531921015 /nfs/dbraw/zinc/92/10/15/531921015.db2.gz ZNBGOCJOIWVVEA-SMDDNHRTSA-N 1 0 384.274 1.058 20 0 GDADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419280818 531921815 /nfs/dbraw/zinc/92/18/15/531921815.db2.gz KNCVWQHKAHAEGJ-LBPRGKRZSA-N 1 0 387.311 1.062 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419294629 531921839 /nfs/dbraw/zinc/92/18/39/531921839.db2.gz BUYGKUGQPIGJSX-OLZOCXBDSA-N 1 0 382.302 1.891 20 0 GDADRO O=C(NCc1csc(Br)c1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419278977 531921889 /nfs/dbraw/zinc/92/18/89/531921889.db2.gz IEZYRIGIGHBIBX-UHFFFAOYSA-N 1 0 386.315 1.729 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000298811366 531922655 /nfs/dbraw/zinc/92/26/55/531922655.db2.gz KFPOTNXSCDKRFD-ZDUSSCGKSA-N 1 0 379.448 1.867 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419304314 531923124 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C[C@@H](NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1ccc(Br)cn1 ZINC000651072494 531934709 /nfs/dbraw/zinc/93/47/09/531934709.db2.gz SZRZBEYNJHYWRT-GFCCVEGCSA-N 1 0 398.305 1.321 20 0 GDADRO O=C(NCc1sccc1Br)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000284151999 531935744 /nfs/dbraw/zinc/93/57/44/531935744.db2.gz XIRUZXTUEJRJGM-UHFFFAOYSA-N 1 0 386.315 1.870 20 0 GDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cc(C)c(Br)cn2)CC1 ZINC000683654037 531935963 /nfs/dbraw/zinc/93/59/63/531935963.db2.gz KBBCVDNLODMXJU-UHFFFAOYSA-N 1 0 399.289 1.318 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419570000 531936642 /nfs/dbraw/zinc/93/66/42/531936642.db2.gz MTOGETTZZVDSIA-MRXNPFEDSA-N 1 0 386.283 1.129 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCc2ccc(Br)cc21 ZINC000626850008 531937795 /nfs/dbraw/zinc/93/77/95/531937795.db2.gz MEAZBPHUWYIUNS-CQSZACIVSA-N 1 0 378.270 1.739 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)C[C@H]1C[NH3+] ZINC000419582322 531937920 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C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000626873140 531940663 /nfs/dbraw/zinc/94/06/63/531940663.db2.gz PPANSCPIHKXXQR-UHFFFAOYSA-N 1 0 392.681 1.735 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)c1cccs1 ZINC000299047065 531951695 /nfs/dbraw/zinc/95/16/95/531951695.db2.gz SLWYAUSMBQZERX-ZIAGYGMSSA-N 1 0 388.559 1.322 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)Oc1ccc(Br)cc1 ZINC000419609692 531941468 /nfs/dbraw/zinc/94/14/68/531941468.db2.gz JIAAROWESGCPBI-FRRDWIJNSA-N 1 0 398.301 1.528 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000270914540 531942036 /nfs/dbraw/zinc/94/20/36/531942036.db2.gz MLOQHGGDICCOGA-LBPRGKRZSA-N 1 0 389.905 1.357 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Oc1cccc(Br)c1 ZINC000419619339 531942484 /nfs/dbraw/zinc/94/24/84/531942484.db2.gz PKEIVSSBMRXHBH-UPJWGTAASA-N 1 0 396.285 1.010 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)Oc1cccc(Br)c1 ZINC000419620318 531942654 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C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)Oc1ccccc1Br ZINC000419626601 531945777 /nfs/dbraw/zinc/94/57/77/531945777.db2.gz XHMQYZLWQMBWQV-ZWNOBZJWSA-N 1 0 384.274 1.186 20 0 GDADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)NCCCC[NH3+] ZINC000419632193 531946537 /nfs/dbraw/zinc/94/65/37/531946537.db2.gz OZUFFANKINDFAE-SMDDNHRTSA-N 1 0 386.290 1.496 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652377462 531946759 /nfs/dbraw/zinc/94/67/59/531946759.db2.gz HQVOTOWERZLNKC-GXTWGEPZSA-N 1 0 390.527 1.237 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000419628348 531946778 /nfs/dbraw/zinc/94/67/78/531946778.db2.gz ZBSRFAWRIRQCPY-GXTWGEPZSA-N 1 0 398.301 1.543 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000597574290 531946871 /nfs/dbraw/zinc/94/68/71/531946871.db2.gz OUJLUOVIEZJEJC-ZDUSSCGKSA-N 1 0 377.226 1.148 20 0 GDADRO CO[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccccc1Br ZINC000627271043 531947700 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CCC[NH2+]CCNC(=O)C(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000419910461 531985418 /nfs/dbraw/zinc/98/54/18/531985418.db2.gz PDNQPPXRVUTUHF-LBPRGKRZSA-N 1 0 382.302 1.838 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560055 531985846 /nfs/dbraw/zinc/98/58/46/531985846.db2.gz KFYRKSXCQGZYMF-CVEARBPZSA-N 1 0 391.603 1.286 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000419920748 531986119 /nfs/dbraw/zinc/98/61/19/531986119.db2.gz XENSHPBFCAHKMM-GFCCVEGCSA-N 1 0 380.286 1.450 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c(C)s1 ZINC000573549014 531986440 /nfs/dbraw/zinc/98/64/40/531986440.db2.gz UXCOOAACUFSSMH-SMDDNHRTSA-N 1 0 388.559 1.270 20 0 GDADRO C[C@@H]1CN(C(=O)NCc2ccc(O)c(Br)c2)C[C@H](C)[N@H+]1CCO ZINC000458546144 531986562 /nfs/dbraw/zinc/98/65/62/531986562.db2.gz GWDJRSLLJCLZCI-TXEJJXNPSA-N 1 0 386.290 1.751 20 0 GDADRO CN(C(=O)C(=O)NC[C@@H]1CC[NH2+]C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000419925526 531986810 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C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000420011352 531995543 /nfs/dbraw/zinc/99/55/43/531995543.db2.gz YVHJUZCLVPPGQZ-MFKMUULPSA-N 1 0 384.274 1.585 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000420005313 531995727 /nfs/dbraw/zinc/99/57/27/531995727.db2.gz XIBLTKRCTCWFCJ-XHDPSFHLSA-N 1 0 382.302 1.822 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000420013421 531996003 /nfs/dbraw/zinc/99/60/03/531996003.db2.gz JBMDGGGSUCZZCE-XJKSGUPXSA-N 1 0 394.313 1.968 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000420013081 531996031 /nfs/dbraw/zinc/99/60/31/531996031.db2.gz IRDOSXCHLIXWJJ-XJKSGUPXSA-N 1 0 394.313 1.968 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(I)cc1F ZINC000420006828 531996376 /nfs/dbraw/zinc/99/63/76/531996376.db2.gz ZSGYNLQODCBRFF-CQSZACIVSA-N 1 0 394.228 1.863 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)Oc1cccc(Br)c1 ZINC000284841849 531997321 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CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420050475 531998841 /nfs/dbraw/zinc/99/88/41/531998841.db2.gz FEJMYNVWVRWEDZ-GFCCVEGCSA-N 1 0 382.302 1.966 20 0 GDADRO CS[C@@H]1CCCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000370865245 532001994 /nfs/dbraw/zinc/00/19/94/532001994.db2.gz PGEOFCYCLSAXHC-OAHLLOKOSA-N 1 0 379.592 1.380 20 0 GDADRO COCCOCCS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000370959003 532004249 /nfs/dbraw/zinc/00/42/49/532004249.db2.gz JBQSHFYBVXBHEA-GOEBONIOSA-N 1 0 376.544 1.713 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000420122607 532004301 /nfs/dbraw/zinc/00/43/01/532004301.db2.gz LKVJUUITCDJHCN-LBPRGKRZSA-N 1 0 382.302 1.879 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC000420124208 532004798 /nfs/dbraw/zinc/00/47/98/532004798.db2.gz MRHLNTADYCKCQK-MFKMUULPSA-N 1 0 386.265 1.803 20 0 GDADRO Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000657394402 532005535 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Brc1ccccc1-n1nnnc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888598 532007867 /nfs/dbraw/zinc/00/78/67/532007867.db2.gz XPJJESCDKNRJDX-GXTWGEPZSA-N 1 0 377.290 1.999 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000299616744 532008705 /nfs/dbraw/zinc/00/87/05/532008705.db2.gz HBFQHRQSYSVCMG-GFCCVEGCSA-N 1 0 391.946 1.719 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000631959674 532009076 /nfs/dbraw/zinc/00/90/76/532009076.db2.gz ZOLXHZKWZMTKGP-CVEARBPZSA-N 1 0 375.441 1.313 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420210694 532009194 /nfs/dbraw/zinc/00/91/94/532009194.db2.gz NRFZLRAPSUFDKB-QJPTWQEYSA-N 1 0 384.274 1.505 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459214716 532011607 /nfs/dbraw/zinc/01/16/07/532011607.db2.gz OBOGOZMTNQSDQY-UHFFFAOYSA-N 1 0 384.278 1.439 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)C1(C[NH3+])CCC1 ZINC000575316620 532010467 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GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420450479 532014135 /nfs/dbraw/zinc/01/41/35/532014135.db2.gz HJEFMZCVYAFYQJ-MWLCHTKSSA-N 1 0 380.388 1.898 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420448824 532014352 /nfs/dbraw/zinc/01/43/52/532014352.db2.gz MHAHWTHTNWTCEF-GXFFZTMASA-N 1 0 392.262 1.664 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000420452505 532015349 /nfs/dbraw/zinc/01/53/49/532015349.db2.gz JIIPBFUHYQJHGA-UONOGXRCSA-N 1 0 389.543 1.123 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000420449991 532013939 /nfs/dbraw/zinc/01/39/39/532013939.db2.gz GWSBZHFSHDJKFP-GHMZBOCLSA-N 1 0 376.320 1.921 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000420453576 532016021 /nfs/dbraw/zinc/01/60/21/532016021.db2.gz VBMCBCWWVBGUQN-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO O=C(COC1CC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000575914782 532017149 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20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)C2)nn1 ZINC000420482107 532021829 /nfs/dbraw/zinc/02/18/29/532021829.db2.gz SJMLVRKLFQMYDP-SNVBAGLBSA-N 1 0 395.432 1.843 20 0 GDADRO O[C@H](C[NH2+]Cc1c(F)ccc(I)c1F)Cn1ccnn1 ZINC000459717605 532025728 /nfs/dbraw/zinc/02/57/28/532025728.db2.gz QTGHXQJQRPNIEA-MRVPVSSYSA-N 1 0 394.163 1.312 20 0 GDADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000632408063 532026871 /nfs/dbraw/zinc/02/68/71/532026871.db2.gz QUFQTERMENVHFI-UHFFFAOYSA-N 1 0 393.506 1.302 20 0 GDADRO [NH3+]CC1(C(=O)NC[C@@H](O)COc2ccccc2Br)CCOCC1 ZINC000285087593 532029526 /nfs/dbraw/zinc/02/95/26/532029526.db2.gz YIVUYAOKNUXBPR-GFCCVEGCSA-N 1 0 387.274 1.061 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000459850249 532030228 /nfs/dbraw/zinc/03/02/28/532030228.db2.gz RTPZVVAWQGXFHR-DZGCQCFKSA-N 1 0 380.286 1.570 20 0 GDADRO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000577056058 532031889 /nfs/dbraw/zinc/03/18/89/532031889.db2.gz XJHFDAYIJINEAV-DYVFJYSZSA-N 1 0 383.539 1.880 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000459951076 532036768 /nfs/dbraw/zinc/03/67/68/532036768.db2.gz SHEROEFGLAPUMU-GOEBONIOSA-N 1 0 394.313 1.960 20 0 GDADRO CC[C@@H](C)[C@H](C)[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271653843 532036384 /nfs/dbraw/zinc/03/63/84/532036384.db2.gz GKVNGNKSPARGBM-KGLIPLIRSA-N 1 0 392.543 1.815 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000460274220 532041517 /nfs/dbraw/zinc/04/15/17/532041517.db2.gz NJGWJGSLACBJEP-AWEZNQCLSA-N 1 0 376.682 1.968 20 0 GDADRO C[C@H]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000577953530 532042342 /nfs/dbraw/zinc/04/23/42/532042342.db2.gz BRBSYIQDQHLODA-QWRGUYRKSA-N 1 0 394.324 1.715 20 0 GDADRO CN(CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000632856979 532042497 /nfs/dbraw/zinc/04/24/97/532042497.db2.gz QCZIIOHLVOXIFF-CJNGLKHVSA-N 1 0 385.917 1.561 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000285228373 532051279 /nfs/dbraw/zinc/05/12/79/532051279.db2.gz PECMVYNBMWODBR-VXGBXAGGSA-N 1 0 395.301 1.622 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(I)cc3)C[C@H]21 ZINC000600670001 532049895 /nfs/dbraw/zinc/04/98/95/532049895.db2.gz ZZWVGHBPJQJGQO-ITGUQSILSA-N 1 0 392.262 1.472 20 0 GDADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CCCN2CCOCC2)C1 ZINC000463412754 532052384 /nfs/dbraw/zinc/05/23/84/532052384.db2.gz JHFKFFXFQJPEHC-KRWDZBQOSA-N 1 0 375.579 1.529 20 0 GDADRO C[C@H]([NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1)C1(S(C)(=O)=O)CC1 ZINC000600740250 532052374 /nfs/dbraw/zinc/05/23/74/532052374.db2.gz HSWPNOIZGOBUNK-CBCUQQMYSA-N 1 0 375.531 1.805 20 0 GDADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421212797 532053206 /nfs/dbraw/zinc/05/32/06/532053206.db2.gz YIMDQBQNNWNVMD-GFCCVEGCSA-N 1 0 380.286 1.891 20 0 GDADRO Cn1cc(Br)c(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)n1 ZINC000578597351 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[NH3+]C[C@H]1CN(C(=O)c2ccc(F)cc2I)CCCO1 ZINC000313346379 532056305 /nfs/dbraw/zinc/05/63/05/532056305.db2.gz RMFFRWOOALARJW-JTQLQIEISA-N 1 0 378.185 1.620 20 0 GDADRO O=S(=O)(NCCC[NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccccc1Cl ZINC000634980111 532058054 /nfs/dbraw/zinc/05/80/54/532058054.db2.gz WZFBVLHKSMMDAO-ZDUSSCGKSA-N 1 0 394.946 1.565 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2Br)CC1 ZINC000634969389 532058066 /nfs/dbraw/zinc/05/80/66/532058066.db2.gz NCWOCFOXGFVXJH-OLZOCXBDSA-N 1 0 392.315 1.746 20 0 GDADRO O=S(=O)(NCCCN1CC[NH2+]CC1)c1c(Cl)cccc1Br ZINC000314397359 532058860 /nfs/dbraw/zinc/05/88/60/532058860.db2.gz VWHAIJSBGNKLJD-UHFFFAOYSA-N 1 0 396.738 1.676 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CS1 ZINC000422333899 532059134 /nfs/dbraw/zinc/05/91/34/532059134.db2.gz ZRHAMSBWPFZTNL-CABCVRRESA-N 1 0 385.599 1.865 20 0 GDADRO O[C@@H](C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)COc1ccccc1Cl ZINC000579465921 532061214 /nfs/dbraw/zinc/06/12/14/532061214.db2.gz 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397.317 1.658 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000423741783 532080741 /nfs/dbraw/zinc/08/07/41/532080741.db2.gz TUOKEUMJVLHCFJ-WFASDCNBSA-N 1 0 382.302 1.646 20 0 GDADRO CCOc1c(Br)cc(C[NH2+]CC(=O)NCC(=O)OC)cc1OC ZINC000602746585 532084130 /nfs/dbraw/zinc/08/41/30/532084130.db2.gz GFUQYSVOWJEOQT-UHFFFAOYSA-N 1 0 389.246 1.235 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000272189247 532084174 /nfs/dbraw/zinc/08/41/74/532084174.db2.gz FBSHBNYRBFACES-RYUDHWBXSA-N 1 0 389.905 1.074 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000272198942 532084444 /nfs/dbraw/zinc/08/44/44/532084444.db2.gz PACCYHBJRQZJND-JTQLQIEISA-N 1 0 391.896 1.929 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000272178058 532082862 /nfs/dbraw/zinc/08/28/62/532082862.db2.gz CYGJKTNFBSZMSY-UWVGGRQHSA-N 1 0 384.221 1.748 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000470218200 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380.286 1.748 20 0 GDADRO CC[N@H+](CCNC(=O)NCCC1CCS(=O)(=O)CC1)CCC(F)(F)F ZINC000425982522 532160005 /nfs/dbraw/zinc/16/00/05/532160005.db2.gz XHJOXSLEQINYGZ-UHFFFAOYSA-N 1 0 387.468 1.775 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)CC[N@@H+]1C ZINC000332097798 532163798 /nfs/dbraw/zinc/16/37/98/532163798.db2.gz BFXXDFPIPJHNQN-DGCLKSJQSA-N 1 0 396.285 1.773 20 0 GDADRO CNS(=O)(=O)c1cc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1C ZINC000273677264 532164380 /nfs/dbraw/zinc/16/43/80/532164380.db2.gz JVBKLNGQBNAAMX-UONOGXRCSA-N 1 0 386.543 1.412 20 0 GDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCCCS(C)(=O)=O ZINC000426186641 532164562 /nfs/dbraw/zinc/16/45/62/532164562.db2.gz KZIGNVJUTCQZFL-OAHLLOKOSA-N 1 0 375.535 1.096 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000332302069 532179187 /nfs/dbraw/zinc/17/91/87/532179187.db2.gz KWHKTOLKIRLFQN-YPMHNXCESA-N 1 0 380.286 1.924 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)[C@@H](C)C[NH2+]1 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1.745 20 0 GDADRO CCn1cnnc1C1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000736722774 598985597 /nfs/dbraw/zinc/98/55/97/598985597.db2.gz SKPNMTUUGMKPKQ-UHFFFAOYSA-N 1 0 398.471 1.745 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000737033799 598986517 /nfs/dbraw/zinc/98/65/17/598986517.db2.gz YZYJVXGFAGYCFB-UHFFFAOYSA-N 1 0 396.455 1.621 20 0 GDADRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1(C)C ZINC000736611615 598992766 /nfs/dbraw/zinc/99/27/66/598992766.db2.gz JNSVMDDCWOFKIA-DJIMGWMZSA-N 1 0 375.473 1.742 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000737223354 598996021 /nfs/dbraw/zinc/99/60/21/598996021.db2.gz FVKHYZYPCUIJNA-UHFFFAOYSA-N 1 0 378.502 1.718 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000737221502 599005280 /nfs/dbraw/zinc/00/52/80/599005280.db2.gz NFKDCYCDDVPRQJ-CABCVRRESA-N 1 0 376.486 1.422 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736768032 599006079 /nfs/dbraw/zinc/00/60/79/599006079.db2.gz WAIVIHMDKLDXNF-UHFFFAOYSA-N 1 0 387.394 1.744 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737221804 599006668 /nfs/dbraw/zinc/00/66/68/599006668.db2.gz RUMNOZGWKIHVRR-AWEZNQCLSA-N 1 0 376.486 1.282 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1nccn2ccnc12 ZINC000736767198 599029596 /nfs/dbraw/zinc/02/95/96/599029596.db2.gz NRFRWARQDZIJKE-UHFFFAOYSA-N 1 0 391.439 1.113 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C=Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736855386 599034643 /nfs/dbraw/zinc/03/46/43/599034643.db2.gz GIIURZKIQUNBID-JJEJIETFSA-N 1 0 381.484 1.118 20 0 GDADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cn3ccccc3c1-c1nn[nH]n1)CC2 ZINC000736612186 599048501 /nfs/dbraw/zinc/04/85/01/599048501.db2.gz LQZXPXWIJUAKOM-IAGOWNOFSA-N 1 0 382.468 1.871 20 0 GDADRO O[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1c(F)cccc1Cl ZINC000738382011 599053157 /nfs/dbraw/zinc/05/31/57/599053157.db2.gz OSJVKRMBCYMISU-RNCFNFMXSA-N 1 0 392.826 1.221 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000737005338 599058445 /nfs/dbraw/zinc/05/84/45/599058445.db2.gz APPWYIJUYIVHDI-NSHDSACASA-N 1 0 397.386 1.310 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000820908726 599087303 /nfs/dbraw/zinc/08/73/03/599087303.db2.gz PRFJRIYYXMPGJL-OAHLLOKOSA-N 1 0 381.484 1.925 20 0 GDADRO Cc1nc(SCC(=O)N(C)[C@H]2CCC[N@H+](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737483304 599092356 /nfs/dbraw/zinc/09/23/56/599092356.db2.gz NAODYQNRRLIICW-AWEZNQCLSA-N 1 0 389.529 1.832 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)N[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736761431 599093706 /nfs/dbraw/zinc/09/37/06/599093706.db2.gz FQCPMLSGAXVLKU-MSOLQXFVSA-N 1 0 379.468 1.156 20 0 GDADRO COCCCOC1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736988935 599136492 /nfs/dbraw/zinc/13/64/92/599136492.db2.gz XRUWLCYULCRLKA-UHFFFAOYSA-N 1 0 388.472 1.713 20 0 GDADRO COCCOC1CC[NH+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000737006564 599204775 /nfs/dbraw/zinc/20/47/75/599204775.db2.gz RSIRZMHYJRLGKJ-UHFFFAOYSA-N 1 0 383.456 1.815 20 0 GDADRO CCN(C)C(=O)CC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821159440 607264400 /nfs/dbraw/zinc/26/44/00/607264400.db2.gz BQZPEIMWTBGYQA-UHFFFAOYSA-N 1 0 385.472 1.386 20 0 GDADRO CC[C@@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)CC[N@@H+]1CCOC ZINC000736406706 599240980 /nfs/dbraw/zinc/24/09/80/599240980.db2.gz BCODGEDPLQKLBT-CQSZACIVSA-N 1 0 389.460 1.450 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1-c1nn[nH]n1 ZINC000822053241 607276964 /nfs/dbraw/zinc/27/69/64/607276964.db2.gz LDCAPNACBDEQKM-AWEZNQCLSA-N 1 0 385.472 1.350 20 0 GDADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000736169582 599248127 /nfs/dbraw/zinc/24/81/27/599248127.db2.gz LFNKFKRSQXIQFE-JKSUJKDBSA-N 1 0 384.484 1.968 20 0 GDADRO C[NH+](C)C1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000821583302 607300642 /nfs/dbraw/zinc/30/06/42/607300642.db2.gz QPIVUYXJRSQKIN-UHFFFAOYSA-N 1 0 385.472 1.528 20 0 GDADRO CC[NH+](CC)[C@@H](C)CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821181799 607319521 /nfs/dbraw/zinc/31/95/21/607319521.db2.gz PKVPPLMWYAYXGY-AWEZNQCLSA-N 1 0 387.488 1.822 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736322495 599282042 /nfs/dbraw/zinc/28/20/42/599282042.db2.gz LBSOWJAKWWNXHB-JTQLQIEISA-N 1 0 379.852 1.305 20 0 GDADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC000736337554 599282966 /nfs/dbraw/zinc/28/29/66/599282966.db2.gz KNKQXNWXUYHGQA-HNNXBMFYSA-N 1 0 391.451 1.427 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000736529933 599280189 /nfs/dbraw/zinc/28/01/89/599280189.db2.gz BQTLKCYTZWVWTO-UHFFFAOYSA-N 1 0 389.460 1.050 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000820709795 607333500 /nfs/dbraw/zinc/33/35/00/607333500.db2.gz MBQGSDMJPUGCGM-VXGBXAGGSA-N 1 0 389.435 1.181 20 0 GDADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2sccc2-c2nn[nH]n2)cc1 ZINC000736769054 598234335 /nfs/dbraw/zinc/23/43/35/598234335.db2.gz NRNZOLSHNPBHSO-UHFFFAOYSA-N 1 0 386.481 1.841 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000737893630 598242049 /nfs/dbraw/zinc/24/20/49/598242049.db2.gz BSQNODIXMXMASD-UHFFFAOYSA-N 1 0 385.472 1.040 20 0 GDADRO O[C@@H](Cc1ccccc1)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738385938 598256758 /nfs/dbraw/zinc/25/67/58/598256758.db2.gz JKILZXAWNKTQFE-KRWDZBQOSA-N 1 0 382.443 1.731 20 0 GDADRO O[C@H](COCc1ccco1)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738388329 598274127 /nfs/dbraw/zinc/27/41/27/598274127.db2.gz SFNCKWFZRPNNQI-HNNXBMFYSA-N 1 0 384.440 1.159 20 0 GDADRO CC(C)(C)OC(=O)N1CCN(CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735633189 598285240 /nfs/dbraw/zinc/28/52/40/598285240.db2.gz NWEATZGRMCSRFH-UHFFFAOYSA-N 1 0 387.488 1.509 20 0 GDADRO COc1ccc(C(C)(C)C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)cc1 ZINC000737072519 598286170 /nfs/dbraw/zinc/28/61/70/598286170.db2.gz LQLVGLKKGHNPHA-UHFFFAOYSA-N 1 0 378.440 1.985 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000737547510 598288438 /nfs/dbraw/zinc/28/84/38/598288438.db2.gz KEAYPCYBYKKYTA-UHFFFAOYSA-N 1 0 383.456 1.973 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)CC1=O ZINC000736569419 598333005 /nfs/dbraw/zinc/33/30/05/598333005.db2.gz IFXMODWOTCVTSU-CVEARBPZSA-N 1 0 397.483 1.446 20 0 GDADRO CC[C@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736403375 598334241 /nfs/dbraw/zinc/33/42/41/598334241.db2.gz UXGXZERAFMVJQL-AWEZNQCLSA-N 1 0 383.456 1.710 20 0 GDADRO CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000736412586 598345282 /nfs/dbraw/zinc/34/52/82/598345282.db2.gz WCGNFCQFMMUMFQ-RHSMWYFYSA-N 1 0 387.488 1.236 20 0 GDADRO c1ccc(N2CC[NH+](CCCCNc3nccnc3-c3nn[nH]n3)CC2)cc1 ZINC000738435357 598346141 /nfs/dbraw/zinc/34/61/41/598346141.db2.gz LVCHGYHYRRXZRA-UHFFFAOYSA-N 1 0 379.472 1.671 20 0 GDADRO CN(C(=O)c1cc(-c2nn[nH]n2)cn1C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821573186 607353997 /nfs/dbraw/zinc/35/39/97/607353997.db2.gz DYHVRFPOFUTNCG-UHFFFAOYSA-N 1 0 395.467 1.956 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C1 ZINC000737008851 598363571 /nfs/dbraw/zinc/36/35/71/598363571.db2.gz VVICOZBBHAETIU-AWEZNQCLSA-N 1 0 399.455 1.399 20 0 GDADRO Cc1nc(C)n([C@@H]2CCC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000737473835 598368173 /nfs/dbraw/zinc/36/81/73/598368173.db2.gz LUYQAEOUVPFQTO-QGZVFWFLSA-N 1 0 395.471 1.741 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000736768992 598424243 /nfs/dbraw/zinc/42/42/43/598424243.db2.gz MBMPKCWRMJAVST-UHFFFAOYSA-N 1 0 380.456 1.264 20 0 GDADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000736181154 598424527 /nfs/dbraw/zinc/42/45/27/598424527.db2.gz JPKTYJWDLWBQBU-HNNXBMFYSA-N 1 0 395.467 1.619 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000738413413 598432153 /nfs/dbraw/zinc/43/21/53/598432153.db2.gz VFORUMCZDZWJFF-UHFFFAOYSA-N 1 0 392.463 1.956 20 0 GDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736253863 598469795 /nfs/dbraw/zinc/46/97/95/598469795.db2.gz WMRBBLHHXLNSIU-RYUDHWBXSA-N 1 0 382.465 1.547 20 0 GDADRO O=C(CCN1CC[C@H]([NH+]2CCCCC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838854 598470687 /nfs/dbraw/zinc/47/06/87/598470687.db2.gz NYNWUENVNHVJKU-ZDUSSCGKSA-N 1 0 375.502 1.817 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738055164 598478776 /nfs/dbraw/zinc/47/87/76/598478776.db2.gz SELLXSNJORFMPX-UHFFFAOYSA-N 1 0 399.499 1.653 20 0 GDADRO C[C@H](CNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000736279098 598506725 /nfs/dbraw/zinc/50/67/25/598506725.db2.gz VBSFZRZCYRTAKC-CQSZACIVSA-N 1 0 378.502 1.407 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000738328403 598507843 /nfs/dbraw/zinc/50/78/43/598507843.db2.gz AHPIFKKHBOGIOB-MRXNPFEDSA-N 1 0 376.486 1.257 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=S)NC1CCOCC1 ZINC000736766596 598514339 /nfs/dbraw/zinc/51/43/39/598514339.db2.gz DJONBSHPJZCPBT-UHFFFAOYSA-N 1 0 389.529 1.284 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@H](c1ccccc1)c1ccccn1)C2 ZINC000738425832 598517368 /nfs/dbraw/zinc/51/73/68/598517368.db2.gz OISSAAOBVYIVDN-KBXCAEBGSA-N 1 0 387.451 1.879 20 0 GDADRO COc1cccc([C@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N(C)C)c1 ZINC000737124301 598517375 /nfs/dbraw/zinc/51/73/75/598517375.db2.gz BQGNXYWWBAKUMS-GUYCJALGSA-N 1 0 397.487 1.006 20 0 GDADRO CCN(CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(C)c1 ZINC000736536298 598518661 /nfs/dbraw/zinc/51/86/61/598518661.db2.gz HWLZUJJXXQBFJS-HNNXBMFYSA-N 1 0 381.488 1.529 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1ccc(OC3CCCC3)nc1)C2 ZINC000738417803 598523545 /nfs/dbraw/zinc/52/35/45/598523545.db2.gz CWRMOLYFBTZIDL-AWEZNQCLSA-N 1 0 395.471 1.611 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCCOCCc1ccccc1)C2 ZINC000738432205 598523909 /nfs/dbraw/zinc/52/39/09/598523909.db2.gz DTFDVIIDZZSKDM-INIZCTEOSA-N 1 0 382.472 1.344 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCCc1nc3ccccc3[nH]1)C2 ZINC000738433957 598527056 /nfs/dbraw/zinc/52/70/56/598527056.db2.gz XFHWRRBVLCACHU-GFCCVEGCSA-N 1 0 378.444 1.204 20 0 GDADRO Brc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735367891 598527334 /nfs/dbraw/zinc/52/73/34/598527334.db2.gz AKZMXRWRVUIZBO-LLVKDONJSA-N 1 0 389.261 1.657 20 0 GDADRO Cc1ccc([C@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N(C)C)cc1 ZINC000737321146 598528223 /nfs/dbraw/zinc/52/82/23/598528223.db2.gz ZASPZGMYKIISIW-YOEHRIQHSA-N 1 0 381.488 1.306 20 0 GDADRO c1csc([C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2)n1 ZINC000738425001 598528795 /nfs/dbraw/zinc/52/87/95/598528795.db2.gz JJHGUUHBRHDUIV-DOMZBBRYSA-N 1 0 393.480 1.941 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000737005903 598529583 /nfs/dbraw/zinc/52/95/83/598529583.db2.gz CRUCXWSBQONHGI-MRXNPFEDSA-N 1 0 390.513 1.327 20 0 GDADRO COc1cccc(N2CC[C@@H]([NH2+]Cc3cnc4c(-c5nn[nH]n5)cnn4c3)C2)c1 ZINC000737138973 598617753 /nfs/dbraw/zinc/61/77/53/598617753.db2.gz JEMFYGJWOHLZGZ-CQSZACIVSA-N 1 0 391.439 1.287 20 0 GDADRO CN1CCN(C(=O)CC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736858398 598620285 /nfs/dbraw/zinc/62/02/85/598620285.db2.gz ZBRZXMISYAMXOX-UHFFFAOYSA-N 1 0 383.500 1.243 20 0 GDADRO Clc1cccc(-c2nn[nH]n2)c1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000737575204 598632367 /nfs/dbraw/zinc/63/23/67/598632367.db2.gz NHIATVKEIZKHIG-UHFFFAOYSA-N 1 0 399.890 1.934 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)COc1cccnc1 ZINC000736766880 598686838 /nfs/dbraw/zinc/68/68/38/598686838.db2.gz HQEARDIVCLXNRY-UHFFFAOYSA-N 1 0 381.440 1.231 20 0 GDADRO 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Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737287518 599616288 /nfs/dbraw/zinc/61/62/88/599616288.db2.gz DKVQKKSEVUZWPQ-INIZCTEOSA-N 1 0 397.483 1.591 20 0 GDADRO COc1ccccc1C[N@H+](CCO)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821898508 599637824 /nfs/dbraw/zinc/63/78/24/599637824.db2.gz PMXZRLWAXKOIGH-UHFFFAOYSA-N 1 0 396.451 1.698 20 0 GDADRO C[C@H](O)CC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000820474310 599639980 /nfs/dbraw/zinc/63/99/80/599639980.db2.gz REOWZCIYPAGBAJ-NSHDSACASA-N 1 0 378.502 1.838 20 0 GDADRO CN1CC[N@H+](C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)[C@H](c2ccccc2)C1 ZINC000821626825 607386978 /nfs/dbraw/zinc/38/69/78/607386978.db2.gz ALEFHLSCEBRXOS-YOEHRIQHSA-N 1 0 379.472 1.094 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000823211861 599677375 /nfs/dbraw/zinc/67/73/75/599677375.db2.gz TULKAJURHVRSKG-QGZVFWFLSA-N 1 0 399.499 1.905 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000821584533 599678677 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379.468 1.976 20 0 GDADRO COc1cccc(OCC[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000826217435 607743071 /nfs/dbraw/zinc/74/30/71/607743071.db2.gz LWQGITWXZONLIY-CQSZACIVSA-N 1 0 396.455 1.255 20 0 GDADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826456795 607749988 /nfs/dbraw/zinc/74/99/88/607749988.db2.gz XSEDTPULBQDPTR-UHFFFAOYSA-N 1 0 381.440 1.651 20 0 GDADRO O=C(c1ncc(-c2nn[nH]n2)cc1Cl)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000826475703 607752524 /nfs/dbraw/zinc/75/25/24/607752524.db2.gz OAXWQNGYDKKBKY-CYBMUJFWSA-N 1 0 391.863 1.242 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc1-c1nn[nH]n1 ZINC000825539935 607766463 /nfs/dbraw/zinc/76/64/63/607766463.db2.gz SNNQOWYSGFJVRZ-JTQLQIEISA-N 1 0 376.421 1.507 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC000825538478 607766875 /nfs/dbraw/zinc/76/68/75/607766875.db2.gz HWDZIHJLYMHOCE-LLVKDONJSA-N 1 0 390.448 1.897 20 0 GDADRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820649781 606069169 /nfs/dbraw/zinc/06/91/69/606069169.db2.gz OODIQDBHIATMAI-VLIAUNLRSA-N 1 0 386.500 1.650 20 0 GDADRO C[N@H+](CCOc1ccccc1F)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821604813 606130536 /nfs/dbraw/zinc/13/05/36/606130536.db2.gz HWHYEIALYNZOBN-OAHLLOKOSA-N 1 0 387.415 1.756 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000822620242 606158272 /nfs/dbraw/zinc/15/82/72/606158272.db2.gz OAARFVUWTNHBLZ-UHFFFAOYSA-N 1 0 395.471 1.908 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000820760982 606168045 /nfs/dbraw/zinc/16/80/45/606168045.db2.gz VBPSFWAMRZKZDN-CZUORRHYSA-N 1 0 395.471 1.632 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nn[nH]n2)C1 ZINC000820648700 606168413 /nfs/dbraw/zinc/16/84/13/606168413.db2.gz FVDJDPKKFIIVOZ-RYUDHWBXSA-N 1 0 375.481 1.478 20 0 GDADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 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ZCFSGCLATOURPW-OAHLLOKOSA-N 1 0 389.435 1.181 20 0 GDADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[NH+](C)C ZINC000820893320 606401271 /nfs/dbraw/zinc/40/12/71/606401271.db2.gz NFPGZAISUVOVLC-OAHLLOKOSA-N 1 0 391.451 1.427 20 0 GDADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)C(C)C ZINC000820117304 606403696 /nfs/dbraw/zinc/40/36/96/606403696.db2.gz ZVQYVQRIIBKQHB-UHFFFAOYSA-N 1 0 391.451 1.569 20 0 GDADRO O[C@H](CNc1ccc(Cl)c(-c2nn[nH]n2)n1)C[N@@H+]1CCc2ccccc2C1 ZINC000823690166 606451512 /nfs/dbraw/zinc/45/15/12/606451512.db2.gz LVSRZQBATAQSHZ-CQSZACIVSA-N 1 0 385.859 1.746 20 0 GDADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000822731933 606480702 /nfs/dbraw/zinc/48/07/02/606480702.db2.gz FHUMELZVZMCOKV-OAHLLOKOSA-N 1 0 394.426 1.765 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@@H]1SCCc3ccccc31)C2 ZINC000823797861 606483622 /nfs/dbraw/zinc/48/36/22/606483622.db2.gz UFBCQAHZGQLGIQ-WBMJQRKESA-N 1 0 382.497 1.725 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(-c3nn[nH]n3)cs2)c1 ZINC000821587351 606505916 /nfs/dbraw/zinc/50/59/16/606505916.db2.gz SXEAYNINAQZZTR-UHFFFAOYSA-N 1 0 399.480 1.150 20 0 GDADRO CN1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821628621 606531135 /nfs/dbraw/zinc/53/11/35/606531135.db2.gz MMVJQUHLJMKYRO-UHFFFAOYSA-N 1 0 378.440 1.195 20 0 GDADRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@@H](C)O1 ZINC000820751869 606534446 /nfs/dbraw/zinc/53/44/46/606534446.db2.gz IJWZAUBLZILDJO-RKVPGOIHSA-N 1 0 384.484 1.509 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821586394 606544548 /nfs/dbraw/zinc/54/45/48/606544548.db2.gz WAZVKLDOPMQDSD-UHFFFAOYSA-N 1 0 388.472 1.141 20 0 GDADRO CC[C@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000820989134 606596855 /nfs/dbraw/zinc/59/68/55/606596855.db2.gz MMDWLPLNMXYRFY-AAEUAGOBSA-N 1 0 393.879 1.829 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000821702351 606618894 /nfs/dbraw/zinc/61/88/94/606618894.db2.gz QLMKTAQISOABFC-AWEZNQCLSA-N 1 0 389.456 1.918 20 0 GDADRO CCOc1ccc(OCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1 ZINC000821426727 606700449 /nfs/dbraw/zinc/70/04/49/606700449.db2.gz HNABEZDIQRFJFT-UHFFFAOYSA-N 1 0 386.460 1.514 20 0 GDADRO CC(C)[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000820038063 606705030 /nfs/dbraw/zinc/70/50/30/606705030.db2.gz JVLDBFLSDBZBSZ-AUUYWEPGSA-N 1 0 383.456 1.569 20 0 GDADRO Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822205976 606727933 /nfs/dbraw/zinc/72/79/33/606727933.db2.gz PIDUDINBVHCXTK-HOTGVXAUSA-N 1 0 390.451 1.495 20 0 GDADRO COc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(Cl)c1 ZINC000821790442 606740834 /nfs/dbraw/zinc/74/08/34/606740834.db2.gz NTJYHWBVOAZHAD-LLVKDONJSA-N 1 0 388.863 1.599 20 0 GDADRO Cc1oc(NC(=O)[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[nH]n2)c1C ZINC000822542249 606750704 /nfs/dbraw/zinc/75/07/04/606750704.db2.gz WLDNBGBWPRCBTH-CYBMUJFWSA-N 1 0 396.455 1.621 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc2cccnc21 ZINC000820804171 606780703 /nfs/dbraw/zinc/78/07/03/606780703.db2.gz NLKCMROILFYWOU-CQSZACIVSA-N 1 0 387.451 1.916 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000822216370 606815900 /nfs/dbraw/zinc/81/59/00/606815900.db2.gz NAYOTBXHUQEFLC-AWEZNQCLSA-N 1 0 385.472 1.208 20 0 GDADRO C[NH+](C)C1(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000821581194 606831655 /nfs/dbraw/zinc/83/16/55/606831655.db2.gz FHIYXPJVXVZCMN-UHFFFAOYSA-N 1 0 383.500 1.385 20 0 GDADRO O[C@@H](C[NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682642 606844843 /nfs/dbraw/zinc/84/48/43/606844843.db2.gz SYLUWOWEFBQJEA-SFHVURJKSA-N 1 0 386.500 1.525 20 0 GDADRO O[C@@H](C[NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681983 606848477 /nfs/dbraw/zinc/84/84/77/606848477.db2.gz LVWMNEPLMAYPSK-PMACEKPBSA-N 1 0 394.479 1.563 20 0 GDADRO Cc1ccc([C@@H](C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)N2CCOCC2)o1 ZINC000822230635 606849350 /nfs/dbraw/zinc/84/93/50/606849350.db2.gz MJGBPXVDIDNPOE-QZTJIDSGSA-N 1 0 398.467 1.465 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000820752556 606875311 /nfs/dbraw/zinc/87/53/11/606875311.db2.gz OLYBHNVBRZYACL-YOEHRIQHSA-N 1 0 396.499 1.181 20 0 GDADRO O=C(C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)N1CCCCC1 ZINC000822917155 606884199 /nfs/dbraw/zinc/88/41/99/606884199.db2.gz OPHDSIFUMBNAEF-SFHVURJKSA-N 1 0 384.484 1.625 20 0 GDADRO C[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821594802 606896884 /nfs/dbraw/zinc/89/68/84/606896884.db2.gz CCEGPZVMKZACRI-RBUKOAKNSA-N 1 0 383.452 1.410 20 0 GDADRO C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000821600416 606897169 /nfs/dbraw/zinc/89/71/69/606897169.db2.gz LRSRSNNLHGRUQR-AWEZNQCLSA-N 1 0 398.389 1.731 20 0 GDADRO 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GDADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000826223755 608531985 /nfs/dbraw/zinc/53/19/85/608531985.db2.gz YWBWJODWPRQFFM-ZDUSSCGKSA-N 1 0 376.486 1.117 20 0 GDADRO COc1ccccc1CNC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826219508 608532122 /nfs/dbraw/zinc/53/21/22/608532122.db2.gz FMJQPSRGCRAZQQ-UHFFFAOYSA-N 1 0 378.436 1.770 20 0 GDADRO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826434200 608535055 /nfs/dbraw/zinc/53/50/55/608535055.db2.gz GAQMAPSUGODTOE-HNNXBMFYSA-N 1 0 380.456 1.253 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)c1cccnc1 ZINC000824563121 608576341 /nfs/dbraw/zinc/57/63/41/608576341.db2.gz LQOXXTZHGPYRLB-CYBMUJFWSA-N 1 0 389.423 1.737 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000826175504 608594965 /nfs/dbraw/zinc/59/49/65/608594965.db2.gz HPWITJWBSCMNBL-ZIAGYGMSSA-N 1 0 388.472 1.585 20 0 GDADRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@H](C)O1 ZINC000824984666 608635891 /nfs/dbraw/zinc/63/58/91/608635891.db2.gz LVZIKQOIXSFBMS-UXLLHSPISA-N 1 0 396.499 1.588 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000826519184 608676194 /nfs/dbraw/zinc/67/61/94/608676194.db2.gz NJNRKFLGRQUIKV-INIZCTEOSA-N 1 0 382.472 1.201 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000824999375 608837669 /nfs/dbraw/zinc/83/76/69/608837669.db2.gz GGFUETBBFCNULG-CYBMUJFWSA-N 1 0 375.440 1.849 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000824999761 608839029 /nfs/dbraw/zinc/83/90/29/608839029.db2.gz JJYGRRORJKFPBW-PVAVHDDUSA-N 1 0 376.468 1.971 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H]1CCc2ccccc21 ZINC000825001316 609139340 /nfs/dbraw/zinc/13/93/40/609139340.db2.gz ZBPSLLRFZNLYTE-ZBFHGGJFSA-N 1 0 376.468 1.897 20 0 GDADRO Cc1cc(C(=O)NCC[NH+]2CCC(C)CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259123 609147873 /nfs/dbraw/zinc/14/78/73/609147873.db2.gz IOXCXKPMZZZSMN-UHFFFAOYSA-N 1 0 394.483 1.823 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(-n2cncn2)cc1 ZINC000824562044 609180205 /nfs/dbraw/zinc/18/02/05/609180205.db2.gz CCGIKEGKIXSAQR-LLVKDONJSA-N 1 0 395.452 1.798 20 0 GDADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826442948 609197098 /nfs/dbraw/zinc/19/70/98/609197098.db2.gz RPQTUCUUODDTKR-LJQANCHMSA-N 1 0 392.463 1.812 20 0 GDADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825854520 609207112 /nfs/dbraw/zinc/20/71/12/609207112.db2.gz CJDWGSBBPXYERQ-ZWKOTPCHSA-N 1 0 380.452 1.189 20 0 GDADRO Cc1ccc([C@H](CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[NH+](C)C)cc1 ZINC000826284084 609213599 /nfs/dbraw/zinc/21/35/99/609213599.db2.gz JKJGOPQXJBKHIP-ZWKOTPCHSA-N 1 0 380.452 1.628 20 0 GDADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825865998 609215617 /nfs/dbraw/zinc/21/56/17/609215617.db2.gz OUTSZUKSVDMMSP-SFHVURJKSA-N 1 0 380.452 1.491 20 0 GDADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824536920 609239679 /nfs/dbraw/zinc/23/96/79/609239679.db2.gz AFEDHDUPJZQWJK-OHUAYANFSA-N 1 0 384.419 1.584 20 0 GDADRO Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259190 609242948 /nfs/dbraw/zinc/24/29/48/609242948.db2.gz KOSNYMRPVALHOT-CYBMUJFWSA-N 1 0 380.456 1.432 20 0 GDADRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc(=O)[nH]1 ZINC000826257828 609253681 /nfs/dbraw/zinc/25/36/81/609253681.db2.gz PTFNCCOOCCDVEL-UHFFFAOYSA-N 1 0 393.451 1.624 20 0 GDADRO O=S(=O)(CC[N@@H+]1CCC[C@@H]1C1CCOCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484587 609283765 /nfs/dbraw/zinc/28/37/65/609283765.db2.gz IORIJUODOWTXMM-QGZVFWFLSA-N 1 0 391.497 1.531 20 0 GDADRO C[C@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824584992 609295134 /nfs/dbraw/zinc/29/51/34/609295134.db2.gz LAFJLBXCVLALCN-AWEZNQCLSA-N 1 0 378.436 1.907 20 0 GDADRO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824554017 609337998 /nfs/dbraw/zinc/33/79/98/609337998.db2.gz LPQIDPGFWRJXSH-LBPRGKRZSA-N 1 0 396.492 1.859 20 0 GDADRO Cc1noc(CCC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826339679 609338305 /nfs/dbraw/zinc/33/83/05/609338305.db2.gz OCRQUCJFYOLEEP-UHFFFAOYSA-N 1 0 379.428 1.681 20 0 GDADRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1=O ZINC000824899514 609341146 /nfs/dbraw/zinc/34/11/46/609341146.db2.gz KOIBAJWQEUJGLZ-OAUYIBNBSA-N 1 0 392.467 1.366 20 0 GDADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000824910278 609358585 /nfs/dbraw/zinc/35/85/85/609358585.db2.gz WSVZHMVNYDCBCT-CABZTGNLSA-N 1 0 379.262 1.715 20 0 GDADRO CC[N@H+](CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)C1CC1 ZINC000825424964 609358977 /nfs/dbraw/zinc/35/89/77/609358977.db2.gz VORRLLWKTWCYLL-UHFFFAOYSA-N 1 0 399.434 1.797 20 0 GDADRO O[C@H]1CC[N@H+](Cc2ccccc2CNc2nc3c(cc2-c2nn[nH]n2)CCC3)C1 ZINC000826507953 609388654 /nfs/dbraw/zinc/38/86/54/609388654.db2.gz ZKVXAEBVGFQSOR-KRWDZBQOSA-N 1 0 391.479 1.929 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(-c2nn[nH]n2)s1 ZINC000826443439 609419010 /nfs/dbraw/zinc/41/90/10/609419010.db2.gz PHCNGQFICMCDTO-CQSZACIVSA-N 1 0 384.465 1.425 20 0 GDADRO CC[C@@H]1C[C@@H](CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)CCO1 ZINC000825183716 609435410 /nfs/dbraw/zinc/43/54/10/609435410.db2.gz PGVJCGABKQPFDI-NWDGAFQWSA-N 1 0 376.465 1.276 20 0 GDADRO CN(c1ccc(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1)C1CC[NH+](C)CC1 ZINC000826023241 609441577 /nfs/dbraw/zinc/44/15/77/609441577.db2.gz ZOFKUIDXVZKWRM-UHFFFAOYSA-N 1 0 380.456 1.978 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000825459486 609545188 /nfs/dbraw/zinc/54/51/88/609545188.db2.gz LTOVCPMZPOENLU-LBPRGKRZSA-N 1 0 384.893 1.673 20 0 GDADRO Cc1c(Cl)cnc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1-c1nn[nH]n1 ZINC000826239851 609545246 /nfs/dbraw/zinc/54/52/46/609545246.db2.gz RXJJAFWWGKELIJ-LLVKDONJSA-N 1 0 378.868 1.223 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000825411648 609552514 /nfs/dbraw/zinc/55/25/14/609552514.db2.gz ANZDJCHHEQLTHK-LBPRGKRZSA-N 1 0 398.920 1.873 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3Cl)CC[C@H]21 ZINC000826033538 609558165 /nfs/dbraw/zinc/55/81/65/609558165.db2.gz GINQDCGFDKLTAI-TZMCWYRMSA-N 1 0 396.904 1.625 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259387 609572908 /nfs/dbraw/zinc/57/29/08/609572908.db2.gz QGKHVTWQBKECDG-HZPDHXFCSA-N 1 0 394.483 1.963 20 0 GDADRO Cc1ccnc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1-c1nn[nH]n1 ZINC000826314865 609581995 /nfs/dbraw/zinc/58/19/95/609581995.db2.gz PUGWACMDLQDDNI-INIZCTEOSA-N 1 0 394.483 1.271 20 0 GDADRO CCc1nsc(N2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)n1 ZINC000531371984 649989864 /nfs/dbraw/zinc/98/98/64/649989864.db2.gz NDNVNNGKENPVRN-MRXNPFEDSA-N 1 0 384.575 1.369 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000531946788 650002391 /nfs/dbraw/zinc/00/23/91/650002391.db2.gz SQEXZHXPKKSZGC-CQSZACIVSA-N 1 0 391.559 1.259 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cn2cc(Br)cn2)on1)[NH+]1CCCC1 ZINC000532789537 650034209 /nfs/dbraw/zinc/03/42/09/650034209.db2.gz WOBMZWJGRQDIRC-LLVKDONJSA-N 1 0 382.262 1.896 20 0 GDADRO NS(=O)(=O)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000534876217 650233380 /nfs/dbraw/zinc/23/33/80/650233380.db2.gz PKCYJGAUNFROFK-JTQLQIEISA-N 1 0 383.297 1.486 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[N@H+](C)CC)c(OC)c1 ZINC000534881019 650233756 /nfs/dbraw/zinc/23/37/56/650233756.db2.gz VYJYHKAVPUBIKA-UHFFFAOYSA-N 1 0 393.531 1.077 20 0 GDADRO CC(=O)N[C@H](C)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000535045122 650239613 /nfs/dbraw/zinc/23/96/13/650239613.db2.gz BXWDKQAAJXBENQ-LLVKDONJSA-N 1 0 383.290 1.664 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000537718222 650299671 /nfs/dbraw/zinc/29/96/71/650299671.db2.gz KWDIPFZYTSAHMV-ZDUSSCGKSA-N 1 0 375.466 1.020 20 0 GDADRO CCc1nc2c(s1)[C@H]([NH2+][C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000538523963 650313528 /nfs/dbraw/zinc/31/35/28/650313528.db2.gz VFVLQKAMDUUNMW-JHJVBQTASA-N 1 0 385.555 1.612 20 0 GDADRO O=C(CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(Br)c1 ZINC000538711100 650319179 /nfs/dbraw/zinc/31/91/79/650319179.db2.gz JWKQDSJHQJRWHL-CYBMUJFWSA-N 1 0 381.274 1.924 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(-n2cncn2)cc1Cl ZINC000539041522 650327418 /nfs/dbraw/zinc/32/74/18/650327418.db2.gz WOFVFSSWPLHLTN-GXTWGEPZSA-N 1 0 383.905 1.995 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cn1 ZINC000539282485 650332127 /nfs/dbraw/zinc/33/21/27/650332127.db2.gz XINYOESTAFNGSY-AWEZNQCLSA-N 1 0 376.404 1.982 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)c(Br)c1 ZINC000539469343 650335249 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COCCOc1ccc(Br)cc1NC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000567910353 650928467 /nfs/dbraw/zinc/92/84/67/650928467.db2.gz PSSJVEUMTGOCET-NSHDSACASA-N 1 0 389.246 1.693 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000567912268 650929103 /nfs/dbraw/zinc/92/91/03/650929103.db2.gz KVBVPBLGBKKTDT-GPCCPHFNSA-N 1 0 394.324 1.774 20 0 GDADRO CC(C)CC[NH+]1CCC(CNC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000079657127 644587875 /nfs/dbraw/zinc/58/78/75/644587875.db2.gz RBLCMWCRLPPHNU-INIZCTEOSA-N 1 0 376.588 1.781 20 0 GDADRO O=C(NCc1cccc(Br)c1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000568055639 650935400 /nfs/dbraw/zinc/93/54/00/650935400.db2.gz CNPOLZCFJOGUJU-UHFFFAOYSA-N 1 0 391.273 1.970 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000112917311 644636993 /nfs/dbraw/zinc/63/69/93/644636993.db2.gz ZLXAEKLQGYIZBY-CYBMUJFWSA-N 1 0 387.933 1.499 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)c(F)cc1Br ZINC000122711924 644689901 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[NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)CCN2C1=O ZINC000568267424 650949700 /nfs/dbraw/zinc/94/97/00/650949700.db2.gz GJDMYVZIXHVSBB-MWLCHTKSSA-N 1 0 397.806 1.291 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1 ZINC000155107893 644808384 /nfs/dbraw/zinc/80/83/84/644808384.db2.gz YXDKAOAEICQSCZ-NSHDSACASA-N 1 0 376.425 1.904 20 0 GDADRO C[N@H+](C[C@@H](O)c1ccccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000155570680 644814367 /nfs/dbraw/zinc/81/43/67/644814367.db2.gz CUMMDGBKGAHNDY-OAHLLOKOSA-N 1 0 391.331 1.838 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cc(Cl)ncc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000155751648 644815286 /nfs/dbraw/zinc/81/52/86/644815286.db2.gz DZYICTGNHJYEPG-LLVKDONJSA-N 1 0 394.324 1.969 20 0 GDADRO CCO[C@H]1CCCN(CCS(=O)(=O)CCN2CCC[C@H](OCC)C2)C1 ZINC000156037420 644816768 /nfs/dbraw/zinc/81/67/68/644816768.db2.gz WKLGQQRZMLDOPI-ROUUACIJSA-N 1 0 376.563 1.403 20 0 GDADRO C[NH+](C)C1(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CCC1 ZINC000158678937 644837238 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[NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3cc(F)c(Br)cc3F)CCN2C1=O ZINC000568782781 650970961 /nfs/dbraw/zinc/97/09/61/650970961.db2.gz DPVVYLPIOBLHCC-RDDDGLTNSA-N 1 0 389.200 1.503 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])c(OC)cc1Br ZINC000193290864 645048853 /nfs/dbraw/zinc/04/88/53/645048853.db2.gz OQQSPZVZGGUALX-GXSJLCMTSA-N 1 0 393.303 1.872 20 0 GDADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000193330988 645049275 /nfs/dbraw/zinc/04/92/75/645049275.db2.gz SGXMEVFKPWSFIM-SNVBAGLBSA-N 1 0 386.417 1.353 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000193461500 645052514 /nfs/dbraw/zinc/05/25/14/645052514.db2.gz PFRBACVADGWISX-MFKMUULPSA-N 1 0 379.404 1.398 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[NH3+])c(Br)cc1Cl ZINC000195296492 645068747 /nfs/dbraw/zinc/06/87/47/645068747.db2.gz PNDIOZSEOLBYGH-ZCFIWIBFSA-N 1 0 385.667 1.515 20 0 GDADRO C[NH2+]CCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000237139797 645083056 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C[NH+](C)CCCN(C(=O)/C=C\c1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000255692979 645112036 /nfs/dbraw/zinc/11/20/36/645112036.db2.gz GKQWZFLRBVTZAY-ZQMJAJRESA-N 1 0 385.917 1.716 20 0 GDADRO O=S(=O)(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2ncsc2c1 ZINC000261649453 645115164 /nfs/dbraw/zinc/11/51/64/645115164.db2.gz FBOGSJONFOKSCO-CYBMUJFWSA-N 1 0 394.444 1.411 20 0 GDADRO COc1cc(I)c(C(=O)NCC2C[NH2+]C2)cc1OC ZINC000261914912 645119365 /nfs/dbraw/zinc/11/93/65/645119365.db2.gz HOEAGGDKHRKNTR-UHFFFAOYSA-N 1 0 376.194 1.258 20 0 GDADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CCC(=O)c2cccs2)c1 ZINC000262508608 645132671 /nfs/dbraw/zinc/13/26/71/645132671.db2.gz KBTYZKKBYWZKSH-UHFFFAOYSA-N 1 0 381.479 1.587 20 0 GDADRO CCOC(=O)C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000262551156 645134048 /nfs/dbraw/zinc/13/40/48/645134048.db2.gz OSERZLAGTJCISZ-HUUCEWRRSA-N 1 0 399.285 1.938 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000262766666 645137617 /nfs/dbraw/zinc/13/76/17/645137617.db2.gz KXAHTLVQHIULGR-ONGXEEELSA-N 1 0 391.287 1.497 20 0 GDADRO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(I)c1 ZINC000262779582 645138358 /nfs/dbraw/zinc/13/83/58/645138358.db2.gz YPJGTPKLAHZTEZ-FOSCPWQOSA-N 1 0 392.262 1.853 20 0 GDADRO C[NH+](C)CCn1ccc(NCc2cn(-c3ccccc3Br)nn2)n1 ZINC000569055965 650982633 /nfs/dbraw/zinc/98/26/33/650982633.db2.gz XENOCCSOGXDQDP-UHFFFAOYSA-N 1 0 390.289 2.400 20 0 GDADRO CN1C[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCC1=O ZINC000569109612 650984199 /nfs/dbraw/zinc/98/41/99/650984199.db2.gz APHMOBDOSHEAAF-CHWSQXEVSA-N 1 0 375.238 1.538 20 0 GDADRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccnc(Br)c3)cn2)CC1 ZINC000268164371 645161341 /nfs/dbraw/zinc/16/13/41/645161341.db2.gz QOJOTSHGXRGHTN-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 GDADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000287443242 645192513 /nfs/dbraw/zinc/19/25/13/645192513.db2.gz CDKOUYZMOJXGFW-UHFFFAOYSA-N 1 0 397.195 1.869 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000292077255 645201186 /nfs/dbraw/zinc/20/11/86/645201186.db2.gz DGDPBCZULQMERV-KGLIPLIRSA-N 1 0 376.906 1.354 20 0 GDADRO C[C@H](CNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C[NH+](C)C ZINC000295403213 645211338 /nfs/dbraw/zinc/21/13/38/645211338.db2.gz SQRMZZOQKLCZIO-SNVBAGLBSA-N 1 0 382.313 1.586 20 0 GDADRO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000295683605 645212753 /nfs/dbraw/zinc/21/27/53/645212753.db2.gz KRPQLOAYESXPOY-LBPRGKRZSA-N 1 0 377.894 1.232 20 0 GDADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000299484733 645227568 /nfs/dbraw/zinc/22/75/68/645227568.db2.gz LHORYTAOVBRZLK-UHFFFAOYSA-N 1 0 385.486 1.739 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCC[NH+](C)C)C2)s1 ZINC000299496036 645229234 /nfs/dbraw/zinc/22/92/34/645229234.db2.gz JXNVRPPFGXIZTG-HNNXBMFYSA-N 1 0 387.571 1.915 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000301456493 645236383 /nfs/dbraw/zinc/23/63/83/645236383.db2.gz WPTVPTWTDJWOFN-NSHDSACASA-N 1 0 380.436 1.401 20 0 GDADRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC([NH2+]CC(C)(C)NS(C)(=O)=O)C2 ZINC000304930858 645239948 /nfs/dbraw/zinc/23/99/48/645239948.db2.gz PJKRDBUFGUKKRV-AGUYFDCRSA-N 1 0 375.535 1.834 20 0 GDADRO CCC[NH+]1CCC(NS(=O)(=O)c2nc(C)n(C)c2Br)CC1 ZINC000314884034 645245989 /nfs/dbraw/zinc/24/59/89/645245989.db2.gz ZOFLLSLWMNKZFP-UHFFFAOYSA-N 1 0 379.324 1.644 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000320221317 645253539 /nfs/dbraw/zinc/25/35/39/645253539.db2.gz RJRKGMKFAZUZTR-LLVKDONJSA-N 1 0 387.200 1.293 20 0 GDADRO COc1cc(C[NH2+]CCS(=O)(=O)C(C)C)cc(Cl)c1OCC(N)=O ZINC000326792138 645264572 /nfs/dbraw/zinc/26/45/72/645264572.db2.gz XVKNNDITBDJTDO-UHFFFAOYSA-N 1 0 378.878 1.126 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC12CCOCC2 ZINC000569456850 651000781 /nfs/dbraw/zinc/00/07/81/651000781.db2.gz GKXKMBVVAFIHSV-ZDUSSCGKSA-N 1 0 376.881 1.996 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)[C@H]2CCC[N@H+](C)C2)s1 ZINC000329730364 645326583 /nfs/dbraw/zinc/32/65/83/645326583.db2.gz PNBFMWBMSNFXJR-GJZGRUSLSA-N 1 0 385.555 1.762 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)C2CCS(=O)(=O)CC2)CC1 ZINC000329998060 645338268 /nfs/dbraw/zinc/33/82/68/645338268.db2.gz RQRSJNJQKGJRQU-AWEZNQCLSA-N 1 0 380.576 1.240 20 0 GDADRO CC(=O)N(c1nc(CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)cs1)C1CC1 ZINC000330264106 645351495 /nfs/dbraw/zinc/35/14/95/645351495.db2.gz XMJCMUOOTPYBSS-LSDHHAIUSA-N 1 0 386.543 1.608 20 0 GDADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2cccc3c2OC(F)(F)O3)CC1 ZINC000569575454 651004733 /nfs/dbraw/zinc/00/47/33/651004733.db2.gz LHDUWPWONARSMG-UHFFFAOYSA-N 1 0 378.397 1.527 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N(C)C2CC([NH3+])C2)cc1Br ZINC000569575966 651004756 /nfs/dbraw/zinc/00/47/56/651004756.db2.gz ZVHDGRNNMIHTMF-UHFFFAOYSA-N 1 0 390.303 1.826 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000330581407 645378236 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CO[C@@H]1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)[C@H](C[NH3+])C1 ZINC000569928506 651017734 /nfs/dbraw/zinc/01/77/34/651017734.db2.gz UQGLXYXCKUHGQY-NWDGAFQWSA-N 1 0 389.905 1.120 20 0 GDADRO Cc1sc2ncnc(SCCC(=O)N3CCN(C)C[C@H]3C[NH3+])c2c1C ZINC000569928307 651017747 /nfs/dbraw/zinc/01/77/47/651017747.db2.gz FKOIYCFHZHSGSD-CYBMUJFWSA-N 1 0 379.555 1.892 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000331426542 645513309 /nfs/dbraw/zinc/51/33/09/645513309.db2.gz LOWXITYDZJVNRR-VHDGCEQUSA-N 1 0 385.555 1.653 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc4cc(Br)ccc4c3)CCN2C1=O ZINC000569940807 651018448 /nfs/dbraw/zinc/01/84/48/651018448.db2.gz FGDOHYBKJKZZPP-JKSUJKDBSA-N 1 0 388.265 1.986 20 0 GDADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N2CC[C@H]([NH3+])C2)ccc1Br ZINC000331620830 645517753 /nfs/dbraw/zinc/51/77/53/645517753.db2.gz XXRKABQAIVUKOM-DZGCQCFKSA-N 1 0 380.286 1.981 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cn1C ZINC000331657953 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645918210 /nfs/dbraw/zinc/91/82/10/645918210.db2.gz QRWIPWMTKNJOSO-KRWDZBQOSA-N 1 0 396.285 1.428 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419494881 645920921 /nfs/dbraw/zinc/92/09/21/645920921.db2.gz OWFMQYLLRFSWPO-VXGBXAGGSA-N 1 0 391.299 1.864 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000419521555 645922285 /nfs/dbraw/zinc/92/22/85/645922285.db2.gz KENYDUIHRWUPSY-CQSZACIVSA-N 1 0 382.302 1.793 20 0 GDADRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419708751 645927323 /nfs/dbraw/zinc/92/73/23/645927323.db2.gz NXNQSSKLWBCPLL-CMPLNLGQSA-N 1 0 377.304 1.859 20 0 GDADRO O=S1(=O)CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000570836662 651058048 /nfs/dbraw/zinc/05/80/48/651058048.db2.gz KCXBUVDBEJBCPE-ZFWWWQNUSA-N 1 0 392.315 1.746 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(Cl)cc1I ZINC000419767710 645931361 /nfs/dbraw/zinc/93/13/61/645931361.db2.gz FCXJSMKRVIGTTK-SSDOTTSWSA-N 1 0 395.628 1.024 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000419768676 645931378 /nfs/dbraw/zinc/93/13/78/645931378.db2.gz BOOMQTUGECJDBM-LLVKDONJSA-N 1 0 386.290 1.703 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419767589 645931385 /nfs/dbraw/zinc/93/13/85/645931385.db2.gz AZUAQPPMYWQQDU-GMXVVIOVSA-N 1 0 398.301 1.879 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000420058809 645934169 /nfs/dbraw/zinc/93/41/69/645934169.db2.gz JZUDPMDXZDXCRC-WBMJQRKESA-N 1 0 394.313 1.968 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000420066588 645934886 /nfs/dbraw/zinc/93/48/86/645934886.db2.gz RFRDRSXFNQYIOM-HUUCEWRRSA-N 1 0 386.279 1.747 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420332461 645940433 /nfs/dbraw/zinc/94/04/33/645940433.db2.gz CWXTWRDXFZNPGS-WMLDXEAASA-N 1 0 396.329 1.970 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420360578 645942197 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GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422125974 646043709 /nfs/dbraw/zinc/04/37/09/646043709.db2.gz WKCTUPKODDTUKN-SNVBAGLBSA-N 1 0 378.420 1.673 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000422269247 646053219 /nfs/dbraw/zinc/05/32/19/646053219.db2.gz LQIVHJMLVSBGEK-ZDUSSCGKSA-N 1 0 380.286 1.727 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCN(C3CC3)CC2)c1 ZINC000422523312 646075566 /nfs/dbraw/zinc/07/55/66/646075566.db2.gz WMKWBOAIMBNRJN-UHFFFAOYSA-N 1 0 380.286 1.680 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[C@H](C)[NH3+] ZINC000422928505 646100478 /nfs/dbraw/zinc/10/04/78/646100478.db2.gz KUXIDXIXILIFGS-SMDDNHRTSA-N 1 0 393.962 1.854 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000422933888 646101422 /nfs/dbraw/zinc/10/14/22/646101422.db2.gz ISDXCZFRJRFVCD-ZWNOBZJWSA-N 1 0 379.404 1.854 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422983988 646105658 /nfs/dbraw/zinc/10/56/58/646105658.db2.gz WEMMZSJQPBOUFZ-UHFFFAOYSA-N 1 0 396.285 1.299 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423000277 646107637 /nfs/dbraw/zinc/10/76/37/646107637.db2.gz GNOZCJSQXPPXNY-GXFFZTMASA-N 1 0 384.274 1.222 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000423006014 646108008 /nfs/dbraw/zinc/10/80/08/646108008.db2.gz UBWVHKRHSGQYMQ-CYBMUJFWSA-N 1 0 398.301 1.354 20 0 GDADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423016811 646108879 /nfs/dbraw/zinc/10/88/79/646108879.db2.gz UQBDJPOZTQEYMD-CYBMUJFWSA-N 1 0 384.933 1.256 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)C[C@@]1(C)C[NH3+] ZINC000423031298 646109501 /nfs/dbraw/zinc/10/95/01/646109501.db2.gz XAPLPAZYOBDAHN-MEBBXXQBSA-N 1 0 388.331 1.912 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000423063952 646110091 /nfs/dbraw/zinc/11/00/91/646110091.db2.gz QECBVZDHFCQIHY-LBPRGKRZSA-N 1 0 388.251 1.168 20 0 GDADRO C[NH+](C)C1CC(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000916931298 660203599 /nfs/dbraw/zinc/20/35/99/660203599.db2.gz QWNWXAVAVZENIW-UHFFFAOYSA-N 1 0 387.571 1.824 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)COC1CC[NH2+]CC1 ZINC000423102477 646114280 /nfs/dbraw/zinc/11/42/80/646114280.db2.gz FHQIFQAWNANGDF-UHFFFAOYSA-N 1 0 398.301 1.971 20 0 GDADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423116123 646115133 /nfs/dbraw/zinc/11/51/33/646115133.db2.gz OWNHULIHDORBBP-UHFFFAOYSA-N 1 0 386.265 1.757 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)CC1 ZINC000423172750 646117247 /nfs/dbraw/zinc/11/72/47/646117247.db2.gz UZIZESFRPRDDCG-UHFFFAOYSA-N 1 0 388.331 1.927 20 0 GDADRO C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)Oc1ccc(Br)cc1 ZINC000423236117 646120544 /nfs/dbraw/zinc/12/05/44/646120544.db2.gz BVJRIHMEVUHXLE-GFCCVEGCSA-N 1 0 396.289 1.977 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423251079 646122589 /nfs/dbraw/zinc/12/25/89/646122589.db2.gz VWPWDNHCVFITIG-HUUCEWRRSA-N 1 0 394.313 1.518 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CCO1 ZINC000423355186 646123090 /nfs/dbraw/zinc/12/30/90/646123090.db2.gz DXWWTMHDBNKZTF-LSDHHAIUSA-N 1 0 383.901 1.143 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423401194 646124485 /nfs/dbraw/zinc/12/44/85/646124485.db2.gz WZFWMLWLZAFLGO-CQSZACIVSA-N 1 0 380.286 1.499 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423516406 646125882 /nfs/dbraw/zinc/12/58/82/646125882.db2.gz TYPSGSKFDBMLLT-STQMWFEESA-N 1 0 398.276 1.615 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)C1 ZINC000423551424 646129440 /nfs/dbraw/zinc/12/94/40/646129440.db2.gz GNGRJODYMLCXCL-QWHCGFSZSA-N 1 0 394.313 1.790 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Br)CC[C@@H]1[NH3+] ZINC000423569338 646131677 /nfs/dbraw/zinc/13/16/77/646131677.db2.gz FIUUJLBYVXELGM-YGRLFVJLSA-N 1 0 386.265 1.742 20 0 GDADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423573939 646132125 /nfs/dbraw/zinc/13/21/25/646132125.db2.gz ZIJOYRVMWRGNJE-NWDGAFQWSA-N 1 0 384.274 1.155 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000423586646 646133963 /nfs/dbraw/zinc/13/39/63/646133963.db2.gz DVOFUBGNUUBMSW-PBHICJAKSA-N 1 0 395.301 1.705 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC2CC([NH+](C)C)C2)cc1Br ZINC000916944225 660203854 /nfs/dbraw/zinc/20/38/54/660203854.db2.gz XXTAQRFWJBQNJR-UHFFFAOYSA-N 1 0 393.303 1.837 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000423623486 646137943 /nfs/dbraw/zinc/13/79/43/646137943.db2.gz ADHZKODDZPXMGW-CMPLNLGQSA-N 1 0 386.265 1.742 20 0 GDADRO CN(C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)[C@@H](C[NH3+])C1CC1 ZINC000423956246 646146296 /nfs/dbraw/zinc/14/62/96/646146296.db2.gz STUKXCYCFNWHKM-NSHDSACASA-N 1 0 393.278 1.801 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423956849 646146940 /nfs/dbraw/zinc/14/69/40/646146940.db2.gz DASADDROHDQSTM-JTNHKYCSSA-N 1 0 389.315 1.665 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)COc2cccc(I)c2)CCCO1 ZINC000424022730 646153959 /nfs/dbraw/zinc/15/39/59/646153959.db2.gz PDRQHHFSEKKYFS-ZDUSSCGKSA-N 1 0 390.221 1.246 20 0 GDADRO Cc1c(C(=O)NC(C)(C)CC[NH3+])cc(Br)cc1S(N)(=O)=O ZINC000424048545 646156043 /nfs/dbraw/zinc/15/60/43/646156043.db2.gz RAZATIBVMIPYKE-UHFFFAOYSA-N 1 0 378.292 1.262 20 0 GDADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cnn1C ZINC000424169654 646161138 /nfs/dbraw/zinc/16/11/38/646161138.db2.gz JTLVONKPQLKOFQ-GOEBONIOSA-N 1 0 384.889 1.649 20 0 GDADRO Cc1cc(Br)ccc1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424225114 646166670 /nfs/dbraw/zinc/16/66/70/646166670.db2.gz LZWAWLFPERKECS-JKSUJKDBSA-N 1 0 377.286 1.987 20 0 GDADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)cn2)CCCO1 ZINC000432337521 646180907 /nfs/dbraw/zinc/18/09/07/646180907.db2.gz RNVMELQBGFTFHK-GFCCVEGCSA-N 1 0 381.420 1.880 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000892446762 658327207 /nfs/dbraw/zinc/32/72/07/658327207.db2.gz JMTNBGHKTVZIJZ-ZBFHGGJFSA-N 1 0 388.555 1.630 20 0 GDADRO C[NH+](C)C1(CNC(=O)NCCNS(=O)(=O)c2cccs2)CCCCC1 ZINC000437671248 646212570 /nfs/dbraw/zinc/21/25/70/646212570.db2.gz HQQAVZRVMXBNAZ-UHFFFAOYSA-N 1 0 388.559 1.590 20 0 GDADRO C[NH+](C)CCc1ccccc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000438224026 646221092 /nfs/dbraw/zinc/22/10/92/646221092.db2.gz IVIAUCNXVHFJTD-UHFFFAOYSA-N 1 0 383.495 1.239 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)NC(C)(C)C[NH3+] ZINC000440728504 646252877 /nfs/dbraw/zinc/25/28/77/646252877.db2.gz DHTLEBDEMRVUEX-UHFFFAOYSA-N 1 0 395.319 1.880 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000440737042 646253451 /nfs/dbraw/zinc/25/34/51/646253451.db2.gz RFRWQBRORNMYLR-GFCCVEGCSA-N 1 0 393.303 1.505 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H](C)C[NH3+] ZINC000440731449 646253456 /nfs/dbraw/zinc/25/34/56/646253456.db2.gz GIXVSLNBDRFONY-NSHDSACASA-N 1 0 395.319 1.832 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000917527333 660215011 /nfs/dbraw/zinc/21/50/11/660215011.db2.gz HHLMDIFZZIRAHR-UHFFFAOYSA-N 1 0 376.500 1.048 20 0 GDADRO COc1cc(Br)cc(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000917959382 660226089 /nfs/dbraw/zinc/22/60/89/660226089.db2.gz DBEAGGPAKLLFTB-CQSZACIVSA-N 1 0 385.306 1.503 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903526479 659330311 /nfs/dbraw/zinc/33/03/11/659330311.db2.gz HVDQFFCDTQFFNQ-LDYMZIIASA-N 1 0 377.260 1.205 20 0 GDADRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3ccc(S(C)(=O)=O)c(F)c3)C[C@]2(C)C1 ZINC000918360745 660234647 /nfs/dbraw/zinc/23/46/47/660234647.db2.gz UUAMHWIVBDRDKP-HOTGVXAUSA-N 1 0 390.502 1.192 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000918396142 660235022 /nfs/dbraw/zinc/23/50/22/660235022.db2.gz YZHDRTGLTJHRDD-ZDUSSCGKSA-N 1 0 385.917 1.949 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000442973989 647166764 /nfs/dbraw/zinc/16/67/64/647166764.db2.gz GIIACHJAXLQIPQ-RYUDHWBXSA-N 1 0 375.441 1.232 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000443107013 647181909 /nfs/dbraw/zinc/18/19/09/647181909.db2.gz ZDQGHAOUBOEKBV-UHFFFAOYSA-N 1 0 380.388 1.865 20 0 GDADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000443784862 647224602 /nfs/dbraw/zinc/22/46/02/647224602.db2.gz PXXSQOJHCSMRGB-UHFFFAOYSA-N 1 0 390.937 1.829 20 0 GDADRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444075949 647239855 /nfs/dbraw/zinc/23/98/55/647239855.db2.gz USMANVUNCVBAOU-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cncc(Cl)c3)C2)[C@@H]1C(C)C ZINC000920302473 660269536 /nfs/dbraw/zinc/26/95/36/660269536.db2.gz IUTZZMMFDTZROE-WCXIOVBPSA-N 1 0 387.933 1.883 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cncc(Cl)c3)C2)[C@H]1C(C)C ZINC000920302472 660269579 /nfs/dbraw/zinc/26/95/79/660269579.db2.gz IUTZZMMFDTZROE-VQHPVUNQSA-N 1 0 387.933 1.883 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)s1 ZINC000444869156 647258362 /nfs/dbraw/zinc/25/83/62/647258362.db2.gz CNPTZZVXEIWJHF-UHFFFAOYSA-N 1 0 388.559 1.577 20 0 GDADRO C[NH+]1CCC(NC(=S)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000920307126 660270097 /nfs/dbraw/zinc/27/00/97/660270097.db2.gz UUGDTJGHPSCKHI-UHFFFAOYSA-N 1 0 382.555 1.852 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000445730261 647272257 /nfs/dbraw/zinc/27/22/57/647272257.db2.gz DFIKVCYEYSYTLZ-QWRGUYRKSA-N 1 0 391.540 1.130 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000445730260 647272377 /nfs/dbraw/zinc/27/23/77/647272377.db2.gz DFIKVCYEYSYTLZ-MNOVXSKESA-N 1 0 391.540 1.130 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000920458213 660271732 /nfs/dbraw/zinc/27/17/32/660271732.db2.gz FCXROZMKSXWNEB-KBPBESRZSA-N 1 0 387.933 1.997 20 0 GDADRO C[C@@H](CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000920458583 660271894 /nfs/dbraw/zinc/27/18/94/660271894.db2.gz HTOKMARCJBSFOE-AWEZNQCLSA-N 1 0 387.933 1.999 20 0 GDADRO CC(C)N(CCCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1)S(C)(=O)=O ZINC000452059949 647307988 /nfs/dbraw/zinc/30/79/88/647307988.db2.gz CUXDDZSITNNTSF-IXDOHACOSA-N 1 0 375.579 1.967 20 0 GDADRO COc1cc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)sc1S(N)(=O)=O ZINC000452778340 647324139 /nfs/dbraw/zinc/32/41/39/647324139.db2.gz RBECWABLALJCPV-LBPRGKRZSA-N 1 0 389.543 1.644 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000453818292 647339516 /nfs/dbraw/zinc/33/95/16/647339516.db2.gz LICVULRUZLVPDN-ZDUSSCGKSA-N 1 0 398.301 1.659 20 0 GDADRO Cn1cc(Br)c(CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)n1 ZINC000453893680 647343092 /nfs/dbraw/zinc/34/30/92/647343092.db2.gz JAWIWJMPYBLXQP-UHFFFAOYSA-N 1 0 394.273 1.499 20 0 GDADRO 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384.889 1.859 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000462615643 647535057 /nfs/dbraw/zinc/53/50/57/647535057.db2.gz MQSBDRIGKXFBEX-CVEARBPZSA-N 1 0 376.567 1.610 20 0 GDADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000462882495 647546382 /nfs/dbraw/zinc/54/63/82/647546382.db2.gz TWTBTDRIHMEXFH-ZNMIVQPWSA-N 1 0 383.539 1.406 20 0 GDADRO C[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccc(Br)cc1OCCCO ZINC000463372495 647558583 /nfs/dbraw/zinc/55/85/83/647558583.db2.gz ZEJOCMQBBPZWMN-LLVKDONJSA-N 1 0 395.319 1.540 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000465209000 647593602 /nfs/dbraw/zinc/59/36/02/647593602.db2.gz BOZKYZSFMAIHIZ-GJZGRUSLSA-N 1 0 379.592 1.142 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1Br ZINC000467238419 647638187 /nfs/dbraw/zinc/63/81/87/647638187.db2.gz MXBQMLFNUXCQOD-GFCCVEGCSA-N 1 0 397.317 1.517 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 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GDADRO O=S(=O)(CCC[NH+]1CCCC1)NCC1(n2cc(Br)cn2)CC1 ZINC000921665883 660321048 /nfs/dbraw/zinc/32/10/48/660321048.db2.gz UMTGUNXKCFFXSZ-UHFFFAOYSA-N 1 0 391.335 1.540 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479277186 647827063 /nfs/dbraw/zinc/82/70/63/647827063.db2.gz CVMLPWMNRGZCEN-AWEZNQCLSA-N 1 0 377.576 1.040 20 0 GDADRO C[NH+](C)CCN1CCC(NC(=O)Nc2nnc(CC(F)(F)F)s2)CC1 ZINC000483992811 647910263 /nfs/dbraw/zinc/91/02/63/647910263.db2.gz HDPLQNZXZKQJRF-UHFFFAOYSA-N 1 0 380.440 1.790 20 0 GDADRO CC(C)[N@@H+]1CCc2nc(CNCc3ncccc3S(C)(=O)=O)sc2C1 ZINC000487216360 647945046 /nfs/dbraw/zinc/94/50/46/647945046.db2.gz OPXDFZFMDDAOTA-UHFFFAOYSA-N 1 0 380.539 1.998 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000487460678 647954071 /nfs/dbraw/zinc/95/40/71/647954071.db2.gz GSWXFIYFDIKLEA-GJZGRUSLSA-N 1 0 387.933 1.997 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1C(F)(F)F ZINC000490032288 647983985 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GDADRO CS[C@@H]1CN(C(=O)CCn2cc(Br)ccc2=O)C[C@H]1[NH+](C)C ZINC000495713400 648015119 /nfs/dbraw/zinc/01/51/19/648015119.db2.gz QONNMRVMEMVQPD-CHWSQXEVSA-N 1 0 388.331 1.505 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000497360035 648027443 /nfs/dbraw/zinc/02/74/43/648027443.db2.gz BXHBVEZTNOGMIO-GFCCVEGCSA-N 1 0 393.303 1.505 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)[C@@H]1C[NH3+] ZINC000497364089 648028067 /nfs/dbraw/zinc/02/80/67/648028067.db2.gz KOTPVPYZCIJEOR-BXUZGUMPSA-N 1 0 394.946 1.633 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000498217540 648052279 /nfs/dbraw/zinc/05/22/79/648052279.db2.gz XIIFOMNOJXZFJM-CQSZACIVSA-N 1 0 375.441 1.460 20 0 GDADRO Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000499110125 648076143 /nfs/dbraw/zinc/07/61/43/648076143.db2.gz KJUDMEPSOSMDNJ-ZDUSSCGKSA-N 1 0 380.557 1.186 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000499603137 648085330 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C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000504567841 648207228 /nfs/dbraw/zinc/20/72/28/648207228.db2.gz IRSNZFGAPAGGFZ-NQBHXWOUSA-N 1 0 379.324 1.342 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000504567837 648207501 /nfs/dbraw/zinc/20/75/01/648207501.db2.gz IRSNZFGAPAGGFZ-MDZLAQPJSA-N 1 0 379.324 1.342 20 0 GDADRO Cn1cc(-c2ccc(C[NH2+]CCNS(=O)(=O)Cc3ccon3)s2)cn1 ZINC000509469427 648289234 /nfs/dbraw/zinc/28/92/34/648289234.db2.gz IRVLIRKCWYMINB-UHFFFAOYSA-N 1 0 381.483 1.346 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000510752264 648340568 /nfs/dbraw/zinc/34/05/68/648340568.db2.gz NTUPWRDQSGRNNW-VHDGCEQUSA-N 1 0 376.906 1.530 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000510762091 648341170 /nfs/dbraw/zinc/34/11/70/648341170.db2.gz HMZPQIHRXCOYIH-BRWVUGGUSA-N 1 0 390.933 1.668 20 0 GDADRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510943948 648345491 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GDADRO C[C@]1(CNC(=O)CS(=O)(=O)c2cccc(Br)c2)CCC[NH2+]C1 ZINC000514938359 648472644 /nfs/dbraw/zinc/47/26/44/648472644.db2.gz HTLXPCMAXYHKPG-HNNXBMFYSA-N 1 0 389.315 1.729 20 0 GDADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccccc2I)CC1 ZINC000515062676 648478820 /nfs/dbraw/zinc/47/88/20/648478820.db2.gz KSVLLIZETLCKQX-UHFFFAOYSA-N 1 0 388.205 1.915 20 0 GDADRO CSC1(CNC(=O)c2ccc(S(=O)(=O)N(C)C)o2)CC[NH+](C)CC1 ZINC000515098597 648481079 /nfs/dbraw/zinc/48/10/79/648481079.db2.gz CEPHIIUSRWJAMF-UHFFFAOYSA-N 1 0 375.516 1.087 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000515382923 648493702 /nfs/dbraw/zinc/49/37/02/648493702.db2.gz GQBSBJOYFPGVME-NSHDSACASA-N 1 0 376.201 1.292 20 0 GDADRO NC(=O)CC1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000515414397 648494798 /nfs/dbraw/zinc/49/47/98/648494798.db2.gz CNVKWKWJHKOTEE-GFCCVEGCSA-N 1 0 375.238 1.573 20 0 GDADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000515879847 648507790 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O=C(NCCn1cc(Br)ccc1=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000584217243 652061607 /nfs/dbraw/zinc/06/16/07/652061607.db2.gz MBWQYXYXXYQLOI-AWEZNQCLSA-N 1 0 381.274 1.267 20 0 GDADRO CC[NH2+]CCCNS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000584590080 652077074 /nfs/dbraw/zinc/07/70/74/652077074.db2.gz KEYAFZIXVTUYBX-UHFFFAOYSA-N 1 0 379.276 1.514 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000584822079 652083614 /nfs/dbraw/zinc/08/36/14/652083614.db2.gz HCTGVFXRWGPECF-UONOGXRCSA-N 1 0 383.290 1.537 20 0 GDADRO C[NH+](C)[C@H]1CN(c2ncnc3cccc(I)c32)C[C@@H]1O ZINC000589692283 652117589 /nfs/dbraw/zinc/11/75/89/652117589.db2.gz ZCNRMDIBKCMQSZ-RYUDHWBXSA-N 1 0 384.221 1.346 20 0 GDADRO CSC1(CNC(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)CC[NH+](C)CC1 ZINC000590821321 652147756 /nfs/dbraw/zinc/14/77/56/652147756.db2.gz AFZHTMMMQJHWKP-UONOGXRCSA-N 1 0 375.560 1.175 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c1Br ZINC000591292482 652159332 /nfs/dbraw/zinc/15/93/32/652159332.db2.gz UUDLFUHCBSPLIW-JTQLQIEISA-N 1 0 398.257 1.433 20 0 GDADRO O=C(Nc1cccc(I)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000591301924 652159700 /nfs/dbraw/zinc/15/97/00/652159700.db2.gz NGVBUIVAZXGAKL-HNNXBMFYSA-N 1 0 399.232 1.442 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591304597 652160645 /nfs/dbraw/zinc/16/06/45/652160645.db2.gz KLGJREHSABDIOX-GWCFXTLKSA-N 1 0 399.232 1.440 20 0 GDADRO C[C@H](CNC(=O)CSc1nnnn1CC(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000592024080 652167512 /nfs/dbraw/zinc/16/75/12/652167512.db2.gz SQDBZHWVXXIWQE-GHMZBOCLSA-N 1 0 380.440 1.564 20 0 GDADRO O=C(CSc1nnnn1CC(F)(F)F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000592037836 652170017 /nfs/dbraw/zinc/17/00/17/652170017.db2.gz SGLCPTWXWTVUGL-NSHDSACASA-N 1 0 378.424 1.414 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1OC ZINC000592381293 652185337 /nfs/dbraw/zinc/18/53/37/652185337.db2.gz FTFFSULYFAVXDK-ZWNOBZJWSA-N 1 0 388.873 1.508 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1I ZINC000592390270 652188319 /nfs/dbraw/zinc/18/83/19/652188319.db2.gz NIFKXLRKWIBDTR-IAZYJMLFSA-N 1 0 378.235 1.096 20 0 GDADRO COC(=O)[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000593085123 652210354 /nfs/dbraw/zinc/21/03/54/652210354.db2.gz RMWZZJZICCBFBK-WBIUFABUSA-N 1 0 378.252 1.995 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000593731412 652244794 /nfs/dbraw/zinc/24/47/94/652244794.db2.gz WPJGTZSGRJVWJP-GHMZBOCLSA-N 1 0 376.500 1.681 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2cccc(I)c2)CC1 ZINC000593769552 652247312 /nfs/dbraw/zinc/24/73/12/652247312.db2.gz BTMIGSHYGITWBG-UHFFFAOYSA-N 1 0 387.221 1.475 20 0 GDADRO CN(CC[NH+]1CCCCC1)C(=O)c1c(I)cnn1C ZINC000593884513 652259461 /nfs/dbraw/zinc/25/94/61/652259461.db2.gz XFYDGWXDGYODKC-UHFFFAOYSA-N 1 0 376.242 1.583 20 0 GDADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593903490 652260762 /nfs/dbraw/zinc/26/07/62/652260762.db2.gz COZPURABJYRVAL-CPFSXVBKSA-N 1 0 394.159 1.744 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000593907947 652261224 /nfs/dbraw/zinc/26/12/24/652261224.db2.gz XEJJWBQVMGSDEL-AWEZNQCLSA-N 1 0 380.242 1.908 20 0 GDADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H](N)CC[NH+](C)C ZINC000593905957 652261378 /nfs/dbraw/zinc/26/13/78/652261378.db2.gz PXDOJLHHGWKWRR-CABCVRRESA-N 1 0 390.311 1.863 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000593914397 652261752 /nfs/dbraw/zinc/26/17/52/652261752.db2.gz KCPVKOUPVCLTOI-HNNXBMFYSA-N 1 0 385.555 1.332 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)c(Br)c(OC)c2)C1 ZINC000593912956 652261767 /nfs/dbraw/zinc/26/17/67/652261767.db2.gz DCAKTPVQKNLGEY-LBPRGKRZSA-N 1 0 387.274 1.917 20 0 GDADRO CCO[C@@H]1CN(C(=O)c2c(F)cccc2I)C[C@H]1C[NH3+] ZINC000593917219 652261862 /nfs/dbraw/zinc/26/18/62/652261862.db2.gz WYMUGOKSPPEESF-BXKDBHETSA-N 1 0 392.212 1.866 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1F ZINC000594471889 652302124 /nfs/dbraw/zinc/30/21/24/652302124.db2.gz QRZJZQKUNZBVFS-JGZJWPJOSA-N 1 0 378.853 1.884 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1F ZINC000594532754 652311189 /nfs/dbraw/zinc/31/11/89/652311189.db2.gz UFRNAXLFYWSZFO-VHSXEESVSA-N 1 0 378.853 1.871 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594646020 652341884 /nfs/dbraw/zinc/34/18/84/652341884.db2.gz KWCDQFYZXMLZLS-HNNXBMFYSA-N 1 0 385.917 1.609 20 0 GDADRO CCOC(=O)C1CCC(O)(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)CC1 ZINC000594732484 652353963 /nfs/dbraw/zinc/35/39/63/652353963.db2.gz LQPUGQZRAKMUGW-UHFFFAOYSA-N 1 0 375.531 1.808 20 0 GDADRO CCC1CCN(S(=O)(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000594748540 652354785 /nfs/dbraw/zinc/35/47/85/652354785.db2.gz MFJVNCZBGQSKSK-UHFFFAOYSA-N 1 0 375.535 1.218 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCN(C)CCC[NH+](C)C ZINC000594821253 652373636 /nfs/dbraw/zinc/37/36/36/652373636.db2.gz LQMLXVXJQYWMJS-UHFFFAOYSA-N 1 0 391.921 1.288 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3c[nH]c4cccc(Br)c34)CCN2C1=O ZINC000594878446 652385015 /nfs/dbraw/zinc/38/50/15/652385015.db2.gz JDRARHJILNNNOM-BXKDBHETSA-N 1 0 377.242 1.314 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)Cc3c(Cl)cccc3Br)CCN2C1=O ZINC000594879754 652385435 /nfs/dbraw/zinc/38/54/35/652385435.db2.gz OLJCPIJPNQGXHO-ZANVPECISA-N 1 0 386.677 1.415 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000595103083 652391604 /nfs/dbraw/zinc/39/16/04/652391604.db2.gz WNLORLDAHGEKCB-JTQLQIEISA-N 1 0 377.260 1.266 20 0 GDADRO O=C(NCc1cc(Cl)ccc1I)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000595272829 652401280 /nfs/dbraw/zinc/40/12/80/652401280.db2.gz FLOCEXDLEXAJIS-IAZYJMLFSA-N 1 0 391.640 1.962 20 0 GDADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)C1 ZINC000595353718 652411407 /nfs/dbraw/zinc/41/14/07/652411407.db2.gz JVHNILUTSFMMCB-JTQLQIEISA-N 1 0 390.483 1.084 20 0 GDADRO COC(=O)c1cnc([C@H]2CCC[N@H+](C[C@@H]3CCN(S(C)(=O)=O)C3)C2)s1 ZINC000595913363 652426467 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CS[C@@H]1CN(C(=O)Nc2cncc(OCC(F)(F)F)n2)C[C@@H]1[NH+](C)C ZINC000597030544 652446122 /nfs/dbraw/zinc/44/61/22/652446122.db2.gz GRMLXPNWLQAZGN-VHSXEESVSA-N 1 0 379.408 1.927 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(I)c[nH]2)CCO1 ZINC000598538843 652471913 /nfs/dbraw/zinc/47/19/13/652471913.db2.gz DELGXQURVLCRSH-GFCCVEGCSA-N 1 0 391.253 1.802 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000599107811 652478571 /nfs/dbraw/zinc/47/85/71/652478571.db2.gz NNSYDUGSIOSGSL-QWHCGFSZSA-N 1 0 391.287 1.655 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1F ZINC000599111033 652479260 /nfs/dbraw/zinc/47/92/60/652479260.db2.gz JFHFTCPGITYHGT-IYBDPMFKSA-N 1 0 390.864 1.886 20 0 GDADRO CC(C)(C)OC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000599425960 652496569 /nfs/dbraw/zinc/49/65/69/652496569.db2.gz SWGIYBGBARFBGN-KSTDHSDQSA-N 1 0 375.531 1.616 20 0 GDADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572439 652508670 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CSCC1(CCNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000599955145 652520040 /nfs/dbraw/zinc/52/00/40/652520040.db2.gz GVGYUCGQCDQXLX-NWDGAFQWSA-N 1 0 381.464 1.622 20 0 GDADRO COC(=O)[C@]1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCc2cc(Br)ccc2C1 ZINC000600358299 652535238 /nfs/dbraw/zinc/53/52/38/652535238.db2.gz WGWZHMARWSRRGT-KDOFPFPSSA-N 1 0 395.297 1.918 20 0 GDADRO Cc1cc(CNS(=O)(=O)CCC[NH+](C)C)ccc1I ZINC000601411571 652577797 /nfs/dbraw/zinc/57/77/97/652577797.db2.gz XTBZOEJDDWVDMW-UHFFFAOYSA-N 1 0 396.294 1.971 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC(C[NH+](C)C)C2)c1OC ZINC000601423938 652579636 /nfs/dbraw/zinc/57/96/36/652579636.db2.gz RJLJXXQGDVSAMI-UHFFFAOYSA-N 1 0 376.862 1.317 20 0 GDADRO CCN1CCCN(S(=O)(=O)c2sc(C(=O)OC)cc2OC)[C@H](C)C1 ZINC000601440521 652582269 /nfs/dbraw/zinc/58/22/69/652582269.db2.gz RORZMXGHMYVWMD-LLVKDONJSA-N 1 0 376.500 1.648 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)c2c(C)c(Br)c[nH]c2=O)CC[N@H+](C)C1 ZINC000601634086 652596926 /nfs/dbraw/zinc/59/69/26/652596926.db2.gz YIKQNMURBDVQIW-SNVBAGLBSA-N 1 0 386.246 1.035 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)COc1ccc(I)cc1)[NH+](C)C ZINC000602122252 652620137 /nfs/dbraw/zinc/62/01/37/652620137.db2.gz MAUFUHLHVNUGEL-ZYHUDNBSSA-N 1 0 392.237 1.097 20 0 GDADRO COC(=O)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)Oc1ccc(Br)cc1 ZINC000602150777 652620629 /nfs/dbraw/zinc/62/06/29/652620629.db2.gz JDERFNZYSLKUGY-DOMZBBRYSA-N 1 0 399.285 1.828 20 0 GDADRO Cc1cc(C(=O)N[C@@H](CO)C[NH+](C)C)c(I)cc1Cl ZINC000602154845 652621326 /nfs/dbraw/zinc/62/13/26/652621326.db2.gz MDKXDVGXNVWNIL-SECBINFHSA-N 1 0 396.656 1.905 20 0 GDADRO Cn1cc(I)c(C(=O)Nc2cc(C[NH+](C)C)ccn2)n1 ZINC000602276792 652626854 /nfs/dbraw/zinc/62/68/54/652626854.db2.gz KTMPWSSDLATJQJ-UHFFFAOYSA-N 1 0 385.209 1.734 20 0 GDADRO C[S@](=O)C1(C(=O)NCc2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000602451132 652637235 /nfs/dbraw/zinc/63/72/35/652637235.db2.gz YBBCZUDRYYSKTA-NRFANRHFSA-N 1 0 377.279 1.705 20 0 GDADRO C[S@](=O)C1(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)CC[NH2+]CC1 ZINC000602460238 652637789 /nfs/dbraw/zinc/63/77/89/652637789.db2.gz XAAVZYHWJGTDGE-VWLOTQADSA-N 1 0 382.873 1.507 20 0 GDADRO CN1CC[C@H](NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000602499621 652640233 /nfs/dbraw/zinc/64/02/33/652640233.db2.gz RJKVCXSCHHIVLM-DUOCMMSMSA-N 1 0 383.945 1.702 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)c2sc3c(c2I)CNC3)C[NH2+]1 ZINC000602552181 652640877 /nfs/dbraw/zinc/64/08/77/652640877.db2.gz GLLWVDCGNFSLOP-SFYZADRCSA-N 1 0 391.278 1.826 20 0 GDADRO C[C@@H](CNC(=O)c1nn(C)cc1I)C[NH+]1CCCC1 ZINC000602799891 652646984 /nfs/dbraw/zinc/64/69/84/652646984.db2.gz RFTFPIRCDOLFDG-JTQLQIEISA-N 1 0 376.242 1.486 20 0 GDADRO C[C@H](CNC(=O)c1nn(C)cc1I)C[NH+]1CCCC1 ZINC000602799892 652647003 /nfs/dbraw/zinc/64/70/03/652647003.db2.gz RFTFPIRCDOLFDG-SNVBAGLBSA-N 1 0 376.242 1.486 20 0 GDADRO Ic1cnc(N2CC[NH+](CC[C@@H]3CCCO3)CC2)nc1 ZINC000602957280 652661435 /nfs/dbraw/zinc/66/14/35/652661435.db2.gz SJDFDPWOAAYBSM-ZDUSSCGKSA-N 1 0 388.253 1.772 20 0 GDADRO CC[C@H]([NH3+])c1cn(CC(=O)Nc2ccc(I)cc2)nn1 ZINC000603163538 652681881 /nfs/dbraw/zinc/68/18/81/652681881.db2.gz PPZOAFLNGTXBGT-NSHDSACASA-N 1 0 385.209 1.931 20 0 GDADRO CCOC[C@@H](O)C[NH+]1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000603391940 652709530 /nfs/dbraw/zinc/70/95/30/652709530.db2.gz JBYAINLWJBBFKT-AWEZNQCLSA-N 1 0 395.301 1.912 20 0 GDADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000603714063 652728391 /nfs/dbraw/zinc/72/83/91/652728391.db2.gz TYAHMDXHMGQUDO-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000604031634 652734010 /nfs/dbraw/zinc/73/40/10/652734010.db2.gz MZWRFAFOPBALAP-UHFFFAOYSA-N 1 0 377.551 1.416 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CCCC[NH+](C)C ZINC000607036849 652785982 /nfs/dbraw/zinc/78/59/82/652785982.db2.gz IPNUZOAOVWOYLH-ZDUSSCGKSA-N 1 0 375.922 1.807 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 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1.662 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000613658902 652958870 /nfs/dbraw/zinc/95/88/70/652958870.db2.gz BUUSHBCAZOQAHP-RBSFLKMASA-N 1 0 385.555 1.890 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000613660577 652958890 /nfs/dbraw/zinc/95/88/90/652958890.db2.gz ZXXJYKQBHOLHLS-ZIAGYGMSSA-N 1 0 394.324 1.871 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614515450 652960348 /nfs/dbraw/zinc/96/03/48/652960348.db2.gz WCINTAFMOBNSOZ-CYBMUJFWSA-N 1 0 392.301 1.456 20 0 GDADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614858946 652960475 /nfs/dbraw/zinc/96/04/75/652960475.db2.gz MWJOLVWLYHZOGO-CYBMUJFWSA-N 1 0 382.917 1.965 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2sccc2S(N)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000614901732 652960752 /nfs/dbraw/zinc/96/07/52/652960752.db2.gz IHPZQXZXEQUMNF-TZMCWYRMSA-N 1 0 379.507 1.788 20 0 GDADRO Cc1c(Br)cncc1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000614816012 652962530 /nfs/dbraw/zinc/96/25/30/652962530.db2.gz BEMNFDIHMVZSRU-OAHLLOKOSA-N 1 0 395.301 1.577 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=O)C2([NH+](C)C)CC2)cc1Br ZINC000615973274 652966400 /nfs/dbraw/zinc/96/64/00/652966400.db2.gz RCUJGEATBKJVRB-ZDUSSCGKSA-N 1 0 385.302 1.819 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000616993804 652971041 /nfs/dbraw/zinc/97/10/41/652971041.db2.gz NPDUJSCDPAZHPR-JTQLQIEISA-N 1 0 381.278 1.737 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)s1 ZINC000617414745 652974022 /nfs/dbraw/zinc/97/40/22/652974022.db2.gz PSUZZNGGJSWDEW-LSDHHAIUSA-N 1 0 385.555 1.668 20 0 GDADRO C[C@@H](CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)[NH+](C)C ZINC000617744849 652976132 /nfs/dbraw/zinc/97/61/32/652976132.db2.gz AMIYVTIFOPSHRR-AWEZNQCLSA-N 1 0 387.571 1.922 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000617768766 652976297 /nfs/dbraw/zinc/97/62/97/652976297.db2.gz UDGZJWPCRVBNTO-UHFFFAOYSA-N 1 0 399.333 1.179 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)COc1ccc(F)cc1Br ZINC000617768591 652976356 /nfs/dbraw/zinc/97/63/56/652976356.db2.gz KVNDRVJZQOGMTG-UHFFFAOYSA-N 1 0 390.297 1.967 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000617768162 652976414 /nfs/dbraw/zinc/97/64/14/652976414.db2.gz RPGJUBKHBGEKKE-UHFFFAOYSA-N 1 0 375.922 1.113 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000618194811 652980557 /nfs/dbraw/zinc/98/05/57/652980557.db2.gz JXUAURBKSLZQEJ-UHFFFAOYSA-N 1 0 386.265 1.728 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)C1 ZINC000619894885 652989712 /nfs/dbraw/zinc/98/97/12/652989712.db2.gz HBVUOJKLWMPAIL-LSDHHAIUSA-N 1 0 385.555 1.810 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000619896059 652989891 /nfs/dbraw/zinc/98/98/91/652989891.db2.gz YNNVBBPDFIUURL-ZDUSSCGKSA-N 1 0 393.285 1.760 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cc(Br)c[nH]2)CC1 ZINC000620604850 652992244 /nfs/dbraw/zinc/99/22/44/652992244.db2.gz OVEJMDWIGLMWRT-UHFFFAOYSA-N 1 0 378.274 1.854 20 0 GDADRO NS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)s1 ZINC000620767798 652993369 /nfs/dbraw/zinc/99/33/69/652993369.db2.gz NUZYUOPVYCRZGJ-CQSZACIVSA-N 1 0 379.507 1.329 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC[NH2+]1 ZINC000621150465 652996148 /nfs/dbraw/zinc/99/61/48/652996148.db2.gz FVZZSXYTWSYPIE-ZDUSSCGKSA-N 1 0 396.285 1.631 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2-n2cnnn2)C[C@H]1C ZINC000622834949 653001875 /nfs/dbraw/zinc/00/18/75/653001875.db2.gz DKBHPEPBISNMDV-VXGBXAGGSA-N 1 0 393.289 1.980 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000623056220 653004102 /nfs/dbraw/zinc/00/41/02/653004102.db2.gz SEVKMYSTDKEFLO-LLVKDONJSA-N 1 0 396.289 1.044 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000624136657 653010218 /nfs/dbraw/zinc/01/02/18/653010218.db2.gz QCOQGULURVDPEA-APHBMKBZSA-N 1 0 389.543 1.106 20 0 GDADRO C[C@@H]1CCCc2nc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)cn21 ZINC000624391614 653011807 /nfs/dbraw/zinc/01/18/07/653011807.db2.gz AAJLUOCZTHXDSG-GRYCIOLGSA-N 1 0 380.436 1.928 20 0 GDADRO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1CC ZINC000625331226 653028088 /nfs/dbraw/zinc/02/80/88/653028088.db2.gz FEVQPNKNTASCIH-STQMWFEESA-N 1 0 387.468 1.437 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000626168159 653050302 /nfs/dbraw/zinc/05/03/02/653050302.db2.gz LTDDTAGYVOOATG-AWEZNQCLSA-N 1 0 385.555 1.998 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1nn(C)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000626272741 653052312 /nfs/dbraw/zinc/05/23/12/653052312.db2.gz KAWJAJGIRVWITP-GFCCVEGCSA-N 1 0 376.910 1.045 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000626882663 653062937 /nfs/dbraw/zinc/06/29/37/653062937.db2.gz QNUDEKWKDSUYIW-SSDOTTSWSA-N 1 0 394.628 1.285 20 0 GDADRO [NH3+]CCCOCCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000626894331 653064035 /nfs/dbraw/zinc/06/40/35/653064035.db2.gz DROHDIUKHFYQJJ-UHFFFAOYSA-N 1 0 378.654 1.523 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000626896372 653064206 /nfs/dbraw/zinc/06/42/06/653064206.db2.gz QZFNMTQMQCOMRP-UHFFFAOYSA-N 1 0 388.262 1.138 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2cn3c(n2)SCC3)CC[C@H]1C(F)(F)F ZINC000627018809 653066886 /nfs/dbraw/zinc/06/68/86/653066886.db2.gz GSSVQQXPBRWRMC-ZYHUDNBSSA-N 1 0 377.436 1.700 20 0 GDADRO CN(C(=O)NCCOCCC[NH3+])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000627218104 653068984 /nfs/dbraw/zinc/06/89/84/653068984.db2.gz MIQJTHOJTNYPBS-GJZGRUSLSA-N 1 0 376.284 1.958 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000627292537 653071547 /nfs/dbraw/zinc/07/15/47/653071547.db2.gz XPPPFWIIEIZAFW-RKDXNWHRSA-N 1 0 378.231 1.414 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627328271 653072499 /nfs/dbraw/zinc/07/24/99/653072499.db2.gz WFUMOIOPYKHEKS-SMDDNHRTSA-N 1 0 398.301 1.373 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cl)cn2)CC[C@@H]1C(F)(F)F ZINC000627333556 653072630 /nfs/dbraw/zinc/07/26/30/653072630.db2.gz LEOAUOIJEBYMCZ-CABZTGNLSA-N 1 0 378.782 1.337 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000627503218 653076404 /nfs/dbraw/zinc/07/64/04/653076404.db2.gz DLNNDMLHKADFGP-JOYOIKCWSA-N 1 0 386.315 1.868 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)C[C@H]21 ZINC000627644972 653076868 /nfs/dbraw/zinc/07/68/68/653076868.db2.gz LMQIXYPRLLYWOQ-HALDLXJZSA-N 1 0 383.539 1.094 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627665039 653077349 /nfs/dbraw/zinc/07/73/49/653077349.db2.gz CYKKJTQYNANRKN-USXIJHARSA-N 1 0 379.298 1.908 20 0 GDADRO Cc1cc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ncc1Br ZINC000628187046 653092745 /nfs/dbraw/zinc/09/27/45/653092745.db2.gz CTKGPYYEOURQQF-INIZCTEOSA-N 1 0 381.318 1.891 20 0 GDADRO C[C@H](CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)n1cc(Br)cn1 ZINC000628585661 653109739 /nfs/dbraw/zinc/10/97/39/653109739.db2.gz QWPBWVMLFXNBSE-YPMHNXCESA-N 1 0 386.294 1.053 20 0 GDADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968012 653128806 /nfs/dbraw/zinc/12/88/06/653128806.db2.gz BVDGLHWCZDNEKU-ZANVPECISA-N 1 0 382.313 1.650 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000629354231 653161175 /nfs/dbraw/zinc/16/11/75/653161175.db2.gz LKHLPVPNNQEAKN-HVOFVXBASA-N 1 0 388.917 1.934 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000629354820 653161196 /nfs/dbraw/zinc/16/11/96/653161196.db2.gz ZVCXFRHMVYBKJX-HALDLXJZSA-N 1 0 388.917 1.936 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000629605978 653177482 /nfs/dbraw/zinc/17/74/82/653177482.db2.gz BINXBPSCJHNAFI-ZDUSSCGKSA-N 1 0 376.881 1.587 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000630950165 653227790 /nfs/dbraw/zinc/22/77/90/653227790.db2.gz JUFZNPPXKVPZQI-ZDUSSCGKSA-N 1 0 380.491 1.416 20 0 GDADRO COc1cc(Cl)c(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC ZINC000631136560 653229763 /nfs/dbraw/zinc/22/97/63/653229763.db2.gz NHAUCCXZQHANLS-CYBMUJFWSA-N 1 0 391.921 1.718 20 0 GDADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Cl)c(S(N)(=O)=O)c3)[C@H]2C1 ZINC000631142413 653230151 /nfs/dbraw/zinc/23/01/51/653230151.db2.gz MIZFXLXULIUXEG-OFQRWUPVSA-N 1 0 385.917 1.724 20 0 GDADRO COc1cc(C[NH2+]C[C@@]2(OCCO)CCOC2)c(F)cc1Br ZINC000631173712 653230557 /nfs/dbraw/zinc/23/05/57/653230557.db2.gz RUJZUYSVBPGTHF-HNNXBMFYSA-N 1 0 378.238 1.854 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)c(=O)n(C)c1=O ZINC000631190919 653230926 /nfs/dbraw/zinc/23/09/26/653230926.db2.gz FATPQDMEYBULJT-NWANDNLSSA-N 1 0 376.254 1.274 20 0 GDADRO CNS(=O)(=O)CCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000631230575 653231842 /nfs/dbraw/zinc/23/18/42/653231842.db2.gz YIBMKKJTLCTSHP-UHFFFAOYSA-N 1 0 387.303 1.664 20 0 GDADRO CNS(=O)(=O)CCC[NH2+]Cc1c(Br)cc(OC)cc1OC ZINC000631229385 653231836 /nfs/dbraw/zinc/23/18/36/653231836.db2.gz LHXCLBGVMZJSQO-UHFFFAOYSA-N 1 0 381.292 1.495 20 0 GDADRO CNS(=O)(=O)CCC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000631230404 653232012 /nfs/dbraw/zinc/23/20/12/653232012.db2.gz WAWPBQYBGKGNGG-UHFFFAOYSA-N 1 0 378.285 1.603 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(C)c(Br)c[nH]c2=O)CC1 ZINC000631282568 653233376 /nfs/dbraw/zinc/23/33/76/653233376.db2.gz VXBOZHAGMQGHBS-NSHDSACASA-N 1 0 385.306 1.614 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000631566316 653239745 /nfs/dbraw/zinc/23/97/45/653239745.db2.gz PXIFOGWREIMWMT-ARFHVFGLSA-N 1 0 379.298 1.908 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)NCc1nnc(C2CCOCC2)[nH]1 ZINC000631693757 653244113 /nfs/dbraw/zinc/24/41/13/653244113.db2.gz NIMJHGAZFQRLEP-NSHDSACASA-N 1 0 396.289 1.801 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)COc2ccc(Br)cn2)CC1 ZINC000631803289 653255677 /nfs/dbraw/zinc/25/56/77/653255677.db2.gz 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ZINC000631918733 653270795 /nfs/dbraw/zinc/27/07/95/653270795.db2.gz KVBUFHZMBAFTDD-CQSZACIVSA-N 1 0 377.304 1.290 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631927411 653272803 /nfs/dbraw/zinc/27/28/03/653272803.db2.gz XZMZKKDNMYCPDH-ZYHUDNBSSA-N 1 0 395.294 1.427 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCNc1cccc(Br)c1 ZINC000631929804 653273637 /nfs/dbraw/zinc/27/36/37/653273637.db2.gz OKBMANCULOAGFP-UHFFFAOYSA-N 1 0 391.335 1.379 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000631932456 653273850 /nfs/dbraw/zinc/27/38/50/653273850.db2.gz VCTLGYHCBMDFES-WCBMZHEXSA-N 1 0 388.291 1.158 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000631962926 653279746 /nfs/dbraw/zinc/27/97/46/653279746.db2.gz UIZISYROWJXKOZ-UHFFFAOYSA-N 1 0 380.491 1.214 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1cscc1Br ZINC000632001949 653287844 /nfs/dbraw/zinc/28/78/44/653287844.db2.gz HFAGXAQOPARUMH-UHFFFAOYSA-N 1 0 383.333 1.636 20 0 GDADRO 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GDADRO CCS(=O)(=O)N(C)C1CC[NH+](CCC(=O)NCc2cnc(C)s2)CC1 ZINC000639531288 653551786 /nfs/dbraw/zinc/55/17/86/653551786.db2.gz AOJCMEKRPXFCDL-UHFFFAOYSA-N 1 0 388.559 1.204 20 0 GDADRO COCCOC[C@H](O)C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639775967 653553721 /nfs/dbraw/zinc/55/37/21/653553721.db2.gz HWSJDAVSPLTYEX-ZIAGYGMSSA-N 1 0 375.263 1.321 20 0 GDADRO CC(C)(C)[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)Cc1ccsc1 ZINC000639783664 653553981 /nfs/dbraw/zinc/55/39/81/653553981.db2.gz BMZWPJVBKIRTJB-UHFFFAOYSA-N 1 0 387.571 1.889 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1c(Br)c(C)nn1C ZINC000640166851 653556057 /nfs/dbraw/zinc/55/60/57/653556057.db2.gz GNPYYGGGDZUNPX-NSHDSACASA-N 1 0 376.299 1.705 20 0 GDADRO COc1ccc(Cn2cc(CC[C@@H](O)C[NH3+])nn2)c(Br)c1OC ZINC000640990433 653562134 /nfs/dbraw/zinc/56/21/34/653562134.db2.gz XVVXFHYGNNVNCN-GFCCVEGCSA-N 1 0 385.262 1.358 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000641441798 653568223 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Cc1cc(S(=O)(=O)NCCNC(=O)NCCC2CC[NH2+]CC2)c(C)s1 ZINC000652171780 653883660 /nfs/dbraw/zinc/88/36/60/653883660.db2.gz VVWHCYVEGYOQRW-UHFFFAOYSA-N 1 0 388.559 1.332 20 0 GDADRO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)cc1 ZINC000652366479 653888527 /nfs/dbraw/zinc/88/85/27/653888527.db2.gz XPVGEPCZJQHWGQ-GFCCVEGCSA-N 1 0 380.491 1.613 20 0 GDADRO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000652368504 653888779 /nfs/dbraw/zinc/88/87/79/653888779.db2.gz FXKTVTHHKDZFGI-UHFFFAOYSA-N 1 0 380.491 1.265 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000652374153 653889509 /nfs/dbraw/zinc/88/95/09/653889509.db2.gz KOFMSOXZIOQWAH-YNEHKIRRSA-N 1 0 388.515 1.009 20 0 GDADRO CC(C)C[N@H+](C)CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000652522266 653893085 /nfs/dbraw/zinc/89/30/85/653893085.db2.gz APIKEWYWKBKYSN-UHFFFAOYSA-N 1 0 381.951 1.774 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)Oc1cccc(Br)c1 ZINC000652686808 653896735 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CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000654545603 653939951 /nfs/dbraw/zinc/93/99/51/653939951.db2.gz DWYCJPVGHNUOSN-ZFWWWQNUSA-N 1 0 387.933 1.948 20 0 GDADRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCN(c2ccc(Br)cn2)CC1 ZINC000655444253 653969932 /nfs/dbraw/zinc/96/99/32/653969932.db2.gz RRGRFAVUPJHVSL-WMLDXEAASA-N 1 0 379.302 1.882 20 0 GDADRO [NH3+]C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C(F)(F)F ZINC000655505924 653971768 /nfs/dbraw/zinc/97/17/68/653971768.db2.gz IWVNBZCWMBYBQZ-NSHDSACASA-N 1 0 399.460 1.471 20 0 GDADRO [NH3+]C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C(F)(F)F ZINC000655508851 653972618 /nfs/dbraw/zinc/97/26/18/653972618.db2.gz IMHWBPBQOKGSKI-GZMMTYOYSA-N 1 0 394.191 1.808 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655670240 653987856 /nfs/dbraw/zinc/98/78/56/653987856.db2.gz WYBWTVXNHKMXEY-SJORKVTESA-N 1 0 386.539 1.526 20 0 GDADRO CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 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386.495 1.136 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NCCC[NH+]3CCCCC3)cc2C1 ZINC000656866050 654058289 /nfs/dbraw/zinc/05/82/89/654058289.db2.gz FKZSTHHLEBOJOL-UHFFFAOYSA-N 1 0 385.555 1.807 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)CCc3ccccc3Cl)CC2)C1 ZINC000656904711 654069041 /nfs/dbraw/zinc/06/90/41/654069041.db2.gz MECGFOBBLNRGQS-KRWDZBQOSA-N 1 0 385.961 1.924 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656956599 654077237 /nfs/dbraw/zinc/07/72/37/654077237.db2.gz PUEYYYNGKQXLDB-UHFFFAOYSA-N 1 0 385.711 1.959 20 0 GDADRO CO[C@@H](CS(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1)[C@H]1CCOC1 ZINC000656966490 654080080 /nfs/dbraw/zinc/08/00/80/654080080.db2.gz SDUOCIDFWOBMKS-IRXDYDNUSA-N 1 0 376.563 1.954 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ncccc1Br)CCO2 ZINC000657019906 654099704 /nfs/dbraw/zinc/09/97/04/654099704.db2.gz LIJIFGGNAUSFGA-UHFFFAOYSA-N 1 0 390.303 1.329 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(F)cc1Br ZINC000657092903 654108927 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CCN(C(=O)C(=O)Nc1cnc(OC)c(Br)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000658361242 654185193 /nfs/dbraw/zinc/18/51/93/654185193.db2.gz WBVRBGCFLFBFCD-LLVKDONJSA-N 1 0 399.289 1.652 20 0 GDADRO CCN(C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000658357187 654185279 /nfs/dbraw/zinc/18/52/79/654185279.db2.gz RVEJTYQVXXKXHC-NSHDSACASA-N 1 0 387.889 1.235 20 0 GDADRO O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387438 654188473 /nfs/dbraw/zinc/18/84/73/654188473.db2.gz RHUMNPBACKYIOR-ZDUSSCGKSA-N 1 0 380.436 1.846 20 0 GDADRO CCN(C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1)[C@@H]1CC[N@H+](C)C1 ZINC000658801308 654205967 /nfs/dbraw/zinc/20/59/67/654205967.db2.gz IBEMTIMTXLXHIB-SNVBAGLBSA-N 1 0 378.420 1.673 20 0 GDADRO CC(C)NS(=O)(=O)CCNC(=O)c1sc2c(c1Br)CNC2 ZINC000659256329 654219087 /nfs/dbraw/zinc/21/90/87/654219087.db2.gz KQMZYAZNXIJPKS-UHFFFAOYSA-N 1 0 396.332 1.171 20 0 GDADRO CN(CCC[NH3+])C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000659290268 654221001 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[NH3+][C@@H]1CCC[C@@H](NC(=O)NCCNC(=O)c2ccc(Br)cn2)C1 ZINC000659538571 654228820 /nfs/dbraw/zinc/22/88/20/654228820.db2.gz OURAISGHNCVRCT-VXGBXAGGSA-N 1 0 384.278 1.143 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCOc2cc(Br)ccc2C1 ZINC000659550458 654229366 /nfs/dbraw/zinc/22/93/66/654229366.db2.gz QYAPFTLOHFLJSN-CQSZACIVSA-N 1 0 384.274 1.732 20 0 GDADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614154 654229817 /nfs/dbraw/zinc/22/98/17/654229817.db2.gz VXMWVIVLCNQQDZ-WRSVWVKZSA-N 1 0 396.329 1.960 20 0 GDADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)NCC12CC(C1)C[NH2+]2 ZINC000659614876 654229832 /nfs/dbraw/zinc/22/98/32/654229832.db2.gz RWXYZUYIIOIEGM-TUBUQKNSSA-N 1 0 382.302 1.651 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000660153813 654241402 /nfs/dbraw/zinc/24/14/02/654241402.db2.gz HPCSQYTZJBKDJR-CVEARBPZSA-N 1 0 384.318 1.623 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000660153815 654241542 /nfs/dbraw/zinc/24/15/42/654241542.db2.gz HPCSQYTZJBKDJR-HZPDHXFCSA-N 1 0 384.318 1.623 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000660569808 654254702 /nfs/dbraw/zinc/25/47/02/654254702.db2.gz JNTRWBNLVJWHHV-CAOSSQGBSA-N 1 0 376.881 1.626 20 0 GDADRO NS(=O)(=O)c1cc2c(s1)CCN(C(=O)N[C@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000660573436 654255414 /nfs/dbraw/zinc/25/54/14/654255414.db2.gz XOKGGAJSMPVYJU-QWHCGFSZSA-N 1 0 384.527 1.090 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCNC(=O)c2ccc(Br)cn2)C1 ZINC000661362508 654270435 /nfs/dbraw/zinc/27/04/35/654270435.db2.gz VUKUTUJPNHYCMK-BJHJDKERSA-N 1 0 398.305 1.213 20 0 GDADRO C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000661769840 654283124 /nfs/dbraw/zinc/28/31/24/654283124.db2.gz NSHOOAZQLPYHFL-BXUZGUMPSA-N 1 0 384.274 1.349 20 0 GDADRO [NH3+]CCN(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C[C@@H](O)CO ZINC000662288873 654292022 /nfs/dbraw/zinc/29/20/22/654292022.db2.gz STMBEVJQTZVGCT-CQSZACIVSA-N 1 0 375.416 1.943 20 0 GDADRO O=C(CCN1CCOC[C@@H]1c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000662306852 654292573 /nfs/dbraw/zinc/29/25/73/654292573.db2.gz UKGBGSDOQSCPTO-MRXNPFEDSA-N 1 0 382.302 1.644 20 0 GDADRO O=C(CCN1CCOC[C@H]1c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000662306849 654292674 /nfs/dbraw/zinc/29/26/74/654292674.db2.gz UKGBGSDOQSCPTO-INIZCTEOSA-N 1 0 382.302 1.644 20 0 GDADRO O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662492827 654297107 /nfs/dbraw/zinc/29/71/07/654297107.db2.gz SZGLOJPOTAYSSI-UHFFFAOYSA-N 1 0 383.539 1.692 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)CCN1c2ccc(Br)cc2OCC1=O ZINC000662608743 654298004 /nfs/dbraw/zinc/29/80/04/654298004.db2.gz PREDNAVKAZVNGL-UHFFFAOYSA-N 1 0 384.274 1.760 20 0 GDADRO O=C(NCCNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cn1 ZINC000662620644 654298049 /nfs/dbraw/zinc/29/80/49/654298049.db2.gz AEGSOJPGWPZCEL-GFCCVEGCSA-N 1 0 381.274 1.080 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000662677976 654299514 /nfs/dbraw/zinc/29/95/14/654299514.db2.gz XULPXAIFQISAOJ-UHFFFAOYSA-N 1 0 384.249 1.658 20 0 GDADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000662751546 654301588 /nfs/dbraw/zinc/30/15/88/654301588.db2.gz KESOPSLEPZMKMW-DLBZAZTESA-N 1 0 396.329 1.894 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)CCNC(=O)c2ccc(Br)cc2)nn1C ZINC000662838362 654305015 /nfs/dbraw/zinc/30/50/15/654305015.db2.gz MRTXHEOMWSONLB-UHFFFAOYSA-N 1 0 394.273 1.708 20 0 GDADRO COc1cc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)sc1S(N)(=O)=O ZINC000662843220 654305742 /nfs/dbraw/zinc/30/57/42/654305742.db2.gz RECWLFOAXDHXOP-LBPRGKRZSA-N 1 0 387.527 1.256 20 0 GDADRO CC[NH+](CC)CCNC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000663401269 654337212 /nfs/dbraw/zinc/33/72/12/654337212.db2.gz HXZJLYHLDVYIMV-UHFFFAOYSA-N 1 0 386.294 1.215 20 0 GDADRO C[C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)Oc1cccc(Br)c1 ZINC000664249541 654370337 /nfs/dbraw/zinc/37/03/37/654370337.db2.gz BAKYLJLPHJPWTL-CQDKDKBSSA-N 1 0 386.290 1.533 20 0 GDADRO C[NH+]1CCN(CCNC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000665771862 654411209 /nfs/dbraw/zinc/41/12/09/654411209.db2.gz TUXPUCKEQPOPHS-UHFFFAOYSA-N 1 0 384.318 1.970 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2c(Cl)cccc2Br)CC1 ZINC000666266278 654421553 /nfs/dbraw/zinc/42/15/53/654421553.db2.gz PLFLPJQCAWXDNI-UHFFFAOYSA-N 1 0 388.693 1.949 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1Br ZINC000666285379 654422582 /nfs/dbraw/zinc/42/25/82/654422582.db2.gz FZUMXPOFYFHGSB-KLPPZKSPSA-N 1 0 377.304 1.737 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)ccc1-n1cnnn1 ZINC000666451019 654428436 /nfs/dbraw/zinc/42/84/36/654428436.db2.gz HVJLCROKHMBPAQ-UKRRQHHQSA-N 1 0 391.273 1.781 20 0 GDADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=S)NCCNS(C)(=O)=O ZINC000768786920 654430652 /nfs/dbraw/zinc/43/06/52/654430652.db2.gz VSBGLUIQHBQYSM-INIZCTEOSA-N 1 0 386.587 1.156 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CCO1 ZINC000667403140 654448369 /nfs/dbraw/zinc/44/83/69/654448369.db2.gz SLYATOIDTHGTTI-BXKDBHETSA-N 1 0 397.273 1.235 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCO1 ZINC000667404612 654449368 /nfs/dbraw/zinc/44/93/68/654449368.db2.gz SQRPBBKRBQUNON-MADCSZMMSA-N 1 0 392.200 1.240 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)ccc1Cl ZINC000731879184 654450156 /nfs/dbraw/zinc/45/01/56/654450156.db2.gz NAUWYJBIHKPBIS-LLVKDONJSA-N 1 0 375.878 1.203 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CCO1 ZINC000667480531 654452017 /nfs/dbraw/zinc/45/20/17/654452017.db2.gz XRRWHXQWDCELOV-JTQLQIEISA-N 1 0 377.388 1.466 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1Br ZINC000769254427 654453268 /nfs/dbraw/zinc/45/32/68/654453268.db2.gz QRGBMGLQVUZSOP-STQMWFEESA-N 1 0 396.285 1.675 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667536801 654454207 /nfs/dbraw/zinc/45/42/07/654454207.db2.gz JQVKLLARAIFZBK-SMDDNHRTSA-N 1 0 396.285 1.915 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667535991 654454237 /nfs/dbraw/zinc/45/42/37/654454237.db2.gz YXHMPZGCHJZEFK-GXFFZTMASA-N 1 0 393.285 1.870 20 0 GDADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667537513 654454610 /nfs/dbraw/zinc/45/46/10/654454610.db2.gz ZHZSWLMIDHFCPJ-OQPBUACISA-N 1 0 388.212 1.876 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000667585743 654457603 /nfs/dbraw/zinc/45/76/03/654457603.db2.gz ZUQQMQYPDAOMRN-ONGXEEELSA-N 1 0 388.237 1.555 20 0 GDADRO COCc1csc(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000668358956 654479838 /nfs/dbraw/zinc/47/98/38/654479838.db2.gz PMKJJTCJLIZSGQ-CQSZACIVSA-N 1 0 381.523 1.991 20 0 GDADRO CCN(C(=O)C(=O)NCCNc1ncc(Cl)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000668531789 654484107 /nfs/dbraw/zinc/48/41/07/654484107.db2.gz KJTUGEZNSCCAOC-GFCCVEGCSA-N 1 0 388.299 1.469 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769843133 654486561 /nfs/dbraw/zinc/48/65/61/654486561.db2.gz XTRPYKHZFQBWGQ-LBPRGKRZSA-N 1 0 395.305 1.248 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000668630222 654488211 /nfs/dbraw/zinc/48/82/11/654488211.db2.gz YTNQVHMELVFGSI-BXUZGUMPSA-N 1 0 399.289 1.454 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000669358782 654503320 /nfs/dbraw/zinc/50/33/20/654503320.db2.gz DWAARCAKIJUGKW-CYBMUJFWSA-N 1 0 393.289 1.981 20 0 GDADRO O=C(NCCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1cccc(Br)c1 ZINC000669437126 654505037 /nfs/dbraw/zinc/50/50/37/654505037.db2.gz VHSHMCSDPMPRNO-WFASDCNBSA-N 1 0 395.301 1.572 20 0 GDADRO CC[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)CC[C@@H]1[NH3+] ZINC000669539058 654505426 /nfs/dbraw/zinc/50/54/26/654505426.db2.gz GNLJAZBVWUHDSA-KGLIPLIRSA-N 1 0 388.559 1.412 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cnc1Cl ZINC000770293802 654508287 /nfs/dbraw/zinc/50/82/87/654508287.db2.gz UADBZZUXBZYZKF-LBPRGKRZSA-N 1 0 376.910 1.048 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000733884220 654524490 /nfs/dbraw/zinc/52/44/90/654524490.db2.gz PUUCERGVUBVSHN-SNVBAGLBSA-N 1 0 390.303 1.120 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCc1cscn1)c1ccc(Cl)cc1 ZINC000670831890 654526123 /nfs/dbraw/zinc/52/61/23/654526123.db2.gz XRCCVTMTAWGPIF-HNNXBMFYSA-N 1 0 380.901 1.874 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000734510785 654536353 /nfs/dbraw/zinc/53/63/53/654536353.db2.gz ZXSZHOYDPBHBPE-KGLIPLIRSA-N 1 0 391.921 1.490 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000672006829 654549261 /nfs/dbraw/zinc/54/92/61/654549261.db2.gz VRIFWKUMGZYUQZ-UHFFFAOYSA-N 1 0 398.301 1.628 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000672206746 654553168 /nfs/dbraw/zinc/55/31/68/654553168.db2.gz KZIGOCYNMYPETQ-LBPRGKRZSA-N 1 0 382.302 1.973 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000672305654 654555454 /nfs/dbraw/zinc/55/54/54/654555454.db2.gz XVEIVNSLRSREFM-UONOGXRCSA-N 1 0 380.539 1.360 20 0 GDADRO C[C@@H]1CSCCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000672634733 654561763 /nfs/dbraw/zinc/56/17/63/654561763.db2.gz FYBIXCIOKVNPAZ-OAHLLOKOSA-N 1 0 385.599 1.818 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000672896547 654568200 /nfs/dbraw/zinc/56/82/00/654568200.db2.gz BHXYQGUZUJMGOH-JTQLQIEISA-N 1 0 392.257 1.541 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673516560 654575758 /nfs/dbraw/zinc/57/57/58/654575758.db2.gz VQJWZQQFHOGROF-HUUCEWRRSA-N 1 0 383.286 1.668 20 0 GDADRO COc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc(OC)c1Br ZINC000673519026 654576244 /nfs/dbraw/zinc/57/62/44/654576244.db2.gz ULQQYLTWTBHCEY-QWHCGFSZSA-N 1 0 399.285 1.747 20 0 GDADRO C[C@@H](NC(=O)COc1ccc(Br)cc1F)C(=O)NCC[NH+](C)C ZINC000673543330 654577488 /nfs/dbraw/zinc/57/74/88/654577488.db2.gz VZSKSPRXKZEQSR-SNVBAGLBSA-N 1 0 390.253 1.150 20 0 GDADRO CC[C@H](O)CCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773019353 654578475 /nfs/dbraw/zinc/57/84/75/654578475.db2.gz XQLYGLYBGOMHHA-CJNGLKHVSA-N 1 0 392.543 1.614 20 0 GDADRO COC[C@H]([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C1CC1 ZINC000773097093 654580937 /nfs/dbraw/zinc/58/09/37/654580937.db2.gz YSBOLAPGQSRPDS-LRDDRELGSA-N 1 0 390.527 1.488 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2c(C)nn(C)c2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000773308665 654588843 /nfs/dbraw/zinc/58/88/43/654588843.db2.gz SRRPPDPTHSCQKC-RYUDHWBXSA-N 1 0 378.951 1.582 20 0 GDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000674320248 654597211 /nfs/dbraw/zinc/59/72/11/654597211.db2.gz GWZJERXCBFPXRM-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000773623995 654598798 /nfs/dbraw/zinc/59/87/98/654598798.db2.gz KVABRCRRSXVKHS-UHFFFAOYSA-N 1 0 375.535 1.649 20 0 GDADRO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000774226521 654617671 /nfs/dbraw/zinc/61/76/71/654617671.db2.gz LNOPZMWOWNSTNQ-OAHLLOKOSA-N 1 0 383.583 1.963 20 0 GDADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCN(C)S(C)(=O)=O ZINC000675745213 654623786 /nfs/dbraw/zinc/62/37/86/654623786.db2.gz HIRIIBISBREEPD-AWEZNQCLSA-N 1 0 389.949 1.948 20 0 GDADRO CN(CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)S(C)(=O)=O ZINC000675745064 654623818 /nfs/dbraw/zinc/62/38/18/654623818.db2.gz FKCQTANLXLTZCC-UHFFFAOYSA-N 1 0 387.933 1.816 20 0 GDADRO Cc1cc(Br)cc(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)c1 ZINC000774995870 654650905 /nfs/dbraw/zinc/65/09/05/654650905.db2.gz ZHVXCNLZKBTANZ-UHFFFAOYSA-N 1 0 390.347 1.424 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000775168619 654658376 /nfs/dbraw/zinc/65/83/76/654658376.db2.gz FSIUPPCTTCCUOE-LLVKDONJSA-N 1 0 378.325 1.948 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cccc(NS(C)(=O)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000776215317 654685078 /nfs/dbraw/zinc/68/50/78/654685078.db2.gz FGQBRPGTDBOSTH-HZPDHXFCSA-N 1 0 383.539 1.710 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000741263338 654685144 /nfs/dbraw/zinc/68/51/44/654685144.db2.gz YORWAMSCGLREPL-CQSZACIVSA-N 1 0 376.519 1.163 20 0 GDADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=S)NCCC[NH+](C)C)C1 ZINC000741873992 654693510 /nfs/dbraw/zinc/69/35/10/654693510.db2.gz GFUPXAXMCMVLEF-ZDUSSCGKSA-N 1 0 382.496 1.935 20 0 GDADRO S=C1N=NC(Cc2cccs2)N1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742161564 654695728 /nfs/dbraw/zinc/69/57/28/654695728.db2.gz KWWWQIXMPLELSC-AWEZNQCLSA-N 1 0 379.555 1.831 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc(OC)c1Br ZINC000678905782 654697408 /nfs/dbraw/zinc/69/74/08/654697408.db2.gz FJCUDNPVSHWHJQ-SECBINFHSA-N 1 0 388.262 1.471 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000742276647 654698913 /nfs/dbraw/zinc/69/89/13/654698913.db2.gz ILULKHVELSCFTK-GJZGRUSLSA-N 1 0 375.535 1.790 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000742653165 654707918 /nfs/dbraw/zinc/70/79/18/654707918.db2.gz LGPWREBLFDDKHL-CYBMUJFWSA-N 1 0 385.258 1.477 20 0 GDADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCOCCS(C)(=O)=O)C1 ZINC000743604694 654718223 /nfs/dbraw/zinc/71/82/23/654718223.db2.gz PCDYVNNUBSURKN-OAHLLOKOSA-N 1 0 377.551 1.247 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2(C(F)(F)F)CC2)c1 ZINC000680937153 654720780 /nfs/dbraw/zinc/72/07/80/654720780.db2.gz GSEFBMBADHHHOY-UHFFFAOYSA-N 1 0 379.404 1.808 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)cc1Br ZINC000743978360 654721930 /nfs/dbraw/zinc/72/19/30/654721930.db2.gz HBASDKGNNSPIIZ-LLVKDONJSA-N 1 0 384.274 1.997 20 0 GDADRO CN(CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)S(C)(=O)=O ZINC000681050336 654722450 /nfs/dbraw/zinc/72/24/50/654722450.db2.gz WMKKBBNNLYISCX-IRXDYDNUSA-N 1 0 389.949 1.583 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000744349115 654729174 /nfs/dbraw/zinc/72/91/74/654729174.db2.gz KAOKSVAWLMAONX-HUUCEWRRSA-N 1 0 385.555 1.892 20 0 GDADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000778225836 654735829 /nfs/dbraw/zinc/73/58/29/654735829.db2.gz TYHWUAXBCMOSKM-HUUCEWRRSA-N 1 0 375.535 1.505 20 0 GDADRO C[C@H]([NH2+]CC1(CCO)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000779086506 654754352 /nfs/dbraw/zinc/75/43/52/654754352.db2.gz WIBSBKYIZWXUEO-ZDUSSCGKSA-N 1 0 390.527 1.225 20 0 GDADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000779137536 654755486 /nfs/dbraw/zinc/75/54/86/654755486.db2.gz BODCISDLVYQPPC-KFWWJZLASA-N 1 0 375.535 1.646 20 0 GDADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000779139751 654755735 /nfs/dbraw/zinc/75/57/35/654755735.db2.gz OBHZBWALTAMDHR-RBSFLKMASA-N 1 0 375.535 1.503 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCCOCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000746768518 654767479 /nfs/dbraw/zinc/76/74/79/654767479.db2.gz YBPOSEPWDJJOCR-HNNXBMFYSA-N 1 0 391.921 1.303 20 0 GDADRO O=C(COc1ccc(F)cc1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747234357 654779993 /nfs/dbraw/zinc/77/99/93/654779993.db2.gz RDHNAHKOXDTAKF-STQMWFEESA-N 1 0 387.249 1.946 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000683862374 654786378 /nfs/dbraw/zinc/78/63/78/654786378.db2.gz AXTHIKKREJVUCD-SECBINFHSA-N 1 0 376.201 1.876 20 0 GDADRO Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000780756749 654792598 /nfs/dbraw/zinc/79/25/98/654792598.db2.gz WNDMWUJFPFVLGX-KBPBESRZSA-N 1 0 389.315 1.899 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000747867212 654793908 /nfs/dbraw/zinc/79/39/08/654793908.db2.gz QCHWJWGRHDRUBC-CABCVRRESA-N 1 0 385.917 1.947 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684264840 654794955 /nfs/dbraw/zinc/79/49/55/654794955.db2.gz XEINLEWAHDUGCH-AWEZNQCLSA-N 1 0 397.317 1.599 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000780866533 654796419 /nfs/dbraw/zinc/79/64/19/654796419.db2.gz QEHWOCMIXXDDIP-CYBMUJFWSA-N 1 0 385.917 1.568 20 0 GDADRO CC1(C)CN(C(=O)c2c[nH]c3ncc(Br)cc23)CC[N@@H+]1CCO ZINC000684320849 654796728 /nfs/dbraw/zinc/79/67/28/654796728.db2.gz FOVNBJUDROCNER-UHFFFAOYSA-N 1 0 381.274 1.854 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000685594121 654821780 /nfs/dbraw/zinc/82/17/80/654821780.db2.gz HDTHKNKRDLAEAC-UHFFFAOYSA-N 1 0 380.413 1.778 20 0 GDADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000749097655 654822209 /nfs/dbraw/zinc/82/22/09/654822209.db2.gz OTIVBFRGDYGNKG-GFCCVEGCSA-N 1 0 389.953 1.285 20 0 GDADRO C[NH+](C)CCNC(=S)N(CCO)Cc1cc(Br)ccc1F ZINC000749108920 654822883 /nfs/dbraw/zinc/82/28/83/654822883.db2.gz OZBMVUNRUNUISZ-UHFFFAOYSA-N 1 0 378.311 1.819 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)[NH+]1CCCCC1 ZINC000749177856 654824114 /nfs/dbraw/zinc/82/41/14/654824114.db2.gz KCQOZOCXTHBPLR-LSDHHAIUSA-N 1 0 385.555 1.892 20 0 GDADRO COC(=O)[C@](C)(NC[C@@H](O)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000749295741 654827411 /nfs/dbraw/zinc/82/74/11/654827411.db2.gz ARFVCSCHVGMTIV-NVXWUHKLSA-N 1 0 385.302 1.884 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC[NH2+][C@@H]2CCCOCC2)C1 ZINC000721743149 654839089 /nfs/dbraw/zinc/83/90/89/654839089.db2.gz BNSRAIFNCDESQU-HUUCEWRRSA-N 1 0 376.519 1.569 20 0 GDADRO COCCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721744988 654839366 /nfs/dbraw/zinc/83/93/66/654839366.db2.gz JSYWZSBEEKSBOI-LSDHHAIUSA-N 1 0 378.535 1.815 20 0 GDADRO COC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CC1 ZINC000721746702 654839481 /nfs/dbraw/zinc/83/94/81/654839481.db2.gz SIENPZYOYXQJJM-HUUCEWRRSA-N 1 0 376.519 1.425 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000721858629 654840164 /nfs/dbraw/zinc/84/01/64/654840164.db2.gz KAFCMDHBUFMZHJ-CQSZACIVSA-N 1 0 377.551 1.388 20 0 GDADRO CC(C)[C@H](CNC(=S)NCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC000726455540 654853016 /nfs/dbraw/zinc/85/30/16/654853016.db2.gz OFGCSZDQRPTFPN-INIZCTEOSA-N 1 0 384.571 1.419 20 0 GDADRO Cc1n[nH]c(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1Br ZINC000726629593 654856122 /nfs/dbraw/zinc/85/61/22/654856122.db2.gz JGLNXNZKDAQMQJ-UHFFFAOYSA-N 1 0 386.294 1.011 20 0 GDADRO Cc1cc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cnc1Br ZINC000783335658 654857829 /nfs/dbraw/zinc/85/78/29/654857829.db2.gz OXNXLAWTVRKXTH-UHFFFAOYSA-N 1 0 395.261 1.488 20 0 GDADRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000783537400 654861938 /nfs/dbraw/zinc/86/19/38/654861938.db2.gz SLLMYKSASTXIIO-AVGNSLFASA-N 1 0 378.516 1.222 20 0 GDADRO CC[C@H](CO)[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000727060014 654862714 /nfs/dbraw/zinc/86/27/14/654862714.db2.gz ORRSVBLLGXRECO-LLVKDONJSA-N 1 0 377.894 1.279 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=S)NCCNS(C)(=O)=O)c1ccsc1 ZINC000727074611 654864792 /nfs/dbraw/zinc/86/47/92/654864792.db2.gz LFNFZVYUMKHEAU-ZDUSSCGKSA-N 1 0 378.589 1.144 20 0 GDADRO CS(=O)(=O)NCCNC(=S)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000727083397 654866349 /nfs/dbraw/zinc/86/63/49/654866349.db2.gz AIVMAUATTXXDJH-INIZCTEOSA-N 1 0 384.571 1.054 20 0 GDADRO CC(C)[C@@H](C)[N@@H+]1Cc2ccc(NC(=S)NCCNS(C)(=O)=O)cc2C1 ZINC000727085926 654867188 /nfs/dbraw/zinc/86/71/88/654867188.db2.gz ACIHYGXGUXGSHB-CYBMUJFWSA-N 1 0 384.571 1.882 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000751021269 654869021 /nfs/dbraw/zinc/86/90/21/654869021.db2.gz HIQSOUZZJKXPLC-HNNXBMFYSA-N 1 0 385.555 1.881 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000751106611 654872512 /nfs/dbraw/zinc/87/25/12/654872512.db2.gz AEQSTKPQCVHMMY-LLVKDONJSA-N 1 0 375.878 1.484 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000783915831 654873550 /nfs/dbraw/zinc/87/35/50/654873550.db2.gz MUUUVLHBWRULBG-SNVBAGLBSA-N 1 0 382.258 1.994 20 0 GDADRO CC[NH+](CC)CCCOC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000800135028 654874951 /nfs/dbraw/zinc/87/49/51/654874951.db2.gz LZBLGGTVFSXQNV-UHFFFAOYSA-N 1 0 393.303 1.985 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000783981177 654875106 /nfs/dbraw/zinc/87/51/06/654875106.db2.gz BGFHODTXXQRPCL-UHFFFAOYSA-N 1 0 389.681 1.990 20 0 GDADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=S)NCCNS(C)(=O)=O)c2C1 ZINC000727978669 654881412 /nfs/dbraw/zinc/88/14/12/654881412.db2.gz OBMLDFKXXUNSSD-UHFFFAOYSA-N 1 0 384.571 1.884 20 0 GDADRO COC(=O)CC1([NH2+]C[C@H](O)c2ccccc2Cl)CCS(=O)(=O)CC1 ZINC000800378967 654883978 /nfs/dbraw/zinc/88/39/78/654883978.db2.gz IVOCTOIXHVHBRU-AWEZNQCLSA-N 1 0 375.874 1.474 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000751451131 654892202 /nfs/dbraw/zinc/89/22/02/654892202.db2.gz QAVIXPQHHAARIF-QWRGUYRKSA-N 1 0 375.878 1.625 20 0 GDADRO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000751490972 654895634 /nfs/dbraw/zinc/89/56/34/654895634.db2.gz ADSLMUAULLBZOE-UHFFFAOYSA-N 1 0 386.499 1.319 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000785074767 654905557 /nfs/dbraw/zinc/90/55/57/654905557.db2.gz UZTYEEVCGXECJW-UHFFFAOYSA-N 1 0 383.539 1.798 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000729266656 654906609 /nfs/dbraw/zinc/90/66/09/654906609.db2.gz AFVHNRWQPXTANF-GJZGRUSLSA-N 1 0 375.535 1.647 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000801095620 654908838 /nfs/dbraw/zinc/90/88/38/654908838.db2.gz PESUPIOCDBSEGR-LBPRGKRZSA-N 1 0 385.306 1.722 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C ZINC000752487082 654929119 /nfs/dbraw/zinc/92/91/19/654929119.db2.gz GWUIHQTYAYFRSV-GUYCJALGSA-N 1 0 375.535 1.158 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000731039691 654941436 /nfs/dbraw/zinc/94/14/36/654941436.db2.gz ZWLGOFMEADPYTR-NSHDSACASA-N 1 0 379.404 1.808 20 0 GDADRO C[NH+]1CCN(C[C@@H](NS(=O)(=O)c2c[nH]nc2Cl)c2ccccc2)CC1 ZINC000830371650 654942425 /nfs/dbraw/zinc/94/24/25/654942425.db2.gz KOFPWLYBFWSFSK-CQSZACIVSA-N 1 0 383.905 1.330 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000753145440 654943469 /nfs/dbraw/zinc/94/34/69/654943469.db2.gz FUSQQDOAZHDRLX-HNNXBMFYSA-N 1 0 377.551 1.895 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)NCc2c(I)cnn2C)CC[N@@H+]1C ZINC000831068985 654968157 /nfs/dbraw/zinc/96/81/57/654968157.db2.gz LOQIDZJKKCLDKH-GXSJLCMTSA-N 1 0 376.242 1.371 20 0 GDADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1c(I)cnn1C ZINC000831079097 654970183 /nfs/dbraw/zinc/97/01/83/654970183.db2.gz KXJOYMKOVKFYPX-SECBINFHSA-N 1 0 378.258 1.808 20 0 GDADRO Cc1ccccc1[C@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000831190902 654975523 /nfs/dbraw/zinc/97/55/23/654975523.db2.gz BNYVRNDYORIHAO-ZDUSSCGKSA-N 1 0 379.404 1.425 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)s1 ZINC000788048146 654979573 /nfs/dbraw/zinc/97/95/73/654979573.db2.gz VDRYVUDVDBWRPY-ZDUSSCGKSA-N 1 0 387.527 1.409 20 0 GDADRO COC(=O)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)Oc1ccc(Br)cc1 ZINC000803766143 654983517 /nfs/dbraw/zinc/98/35/17/654983517.db2.gz PDOUYOKEELYYKR-CQSZACIVSA-N 1 0 399.285 1.970 20 0 GDADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)CCC2 ZINC000788249072 654988316 /nfs/dbraw/zinc/98/83/16/654988316.db2.gz YLKDUOSDOMGXDC-CXAGYDPISA-N 1 0 382.555 1.499 20 0 GDADRO CCO[C@@H](CNC(=O)c1cc(Br)cc(C(=O)OC)c1)C[NH+](C)C ZINC000831718497 654994190 /nfs/dbraw/zinc/99/41/90/654994190.db2.gz LNVSPUWENXPSOL-AWEZNQCLSA-N 1 0 387.274 1.932 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000831735654 654995239 /nfs/dbraw/zinc/99/52/39/654995239.db2.gz RUPSLBOYALFFAK-STQMWFEESA-N 1 0 385.917 1.710 20 0 GDADRO CS[C@H]1CN(c2ccc(C(C)=O)cc2S(N)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000804622354 654997478 /nfs/dbraw/zinc/99/74/78/654997478.db2.gz CAMBDKOSMDLYJU-HOTGVXAUSA-N 1 0 383.539 1.553 20 0 GDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788543832 654997648 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GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834783960 655077873 /nfs/dbraw/zinc/07/78/73/655077873.db2.gz PQOWWFKVGHQSTG-KBPBESRZSA-N 1 0 378.539 1.196 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000791798419 655078302 /nfs/dbraw/zinc/07/83/02/655078302.db2.gz SYERGYRQJVALOI-UHFFFAOYSA-N 1 0 389.543 1.277 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000834820853 655079939 /nfs/dbraw/zinc/07/99/39/655079939.db2.gz FJUWUKORWLDGJQ-BDAKNGLRSA-N 1 0 390.303 1.355 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000834841469 655080962 /nfs/dbraw/zinc/08/09/62/655080962.db2.gz OFUAOGGJNLVVTD-NSHDSACASA-N 1 0 397.241 1.580 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc3ncc(I)n3c2)C1 ZINC000834860839 655081195 /nfs/dbraw/zinc/08/11/95/655081195.db2.gz DRSDVGLHRIALSV-GXSJLCMTSA-N 1 0 384.221 1.796 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cccn3c(I)cnc23)C1 ZINC000834861199 655081493 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C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CCCC1 ZINC000807855439 655091413 /nfs/dbraw/zinc/09/14/13/655091413.db2.gz JQWKQZPPCXARDZ-QLFBSQMISA-N 1 0 385.599 1.720 20 0 GDADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000807891019 655092470 /nfs/dbraw/zinc/09/24/70/655092470.db2.gz QLAYCGJFINALLR-UHFFFAOYSA-N 1 0 386.949 1.883 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)nc1Br ZINC000792953601 655102428 /nfs/dbraw/zinc/10/24/28/655102428.db2.gz DGUXVMKLDXLDBC-LLVKDONJSA-N 1 0 381.274 1.692 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160530 655103355 /nfs/dbraw/zinc/10/33/55/655103355.db2.gz SRHKWWTWXNGDDL-LLVKDONJSA-N 1 0 395.356 1.803 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000792982873 655104294 /nfs/dbraw/zinc/10/42/94/655104294.db2.gz DZHDQPGGDMXXTP-RKDXNWHRSA-N 1 0 378.376 1.080 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1ccc(OC)c(I)n1 ZINC000760214492 655105156 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1.457 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000810077968 655148388 /nfs/dbraw/zinc/14/83/88/655148388.db2.gz ZHDCVIRYHVDPNP-CQSZACIVSA-N 1 0 379.320 1.744 20 0 GDADRO O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000794597148 655148390 /nfs/dbraw/zinc/14/83/90/655148390.db2.gz YAJKLUCMMVBNHW-HOTGVXAUSA-N 1 0 384.523 1.112 20 0 GDADRO Cc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)nc1Br ZINC000810410663 655159584 /nfs/dbraw/zinc/15/95/84/655159584.db2.gz ARZNRPHIVIJECL-UHFFFAOYSA-N 1 0 395.261 1.488 20 0 GDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000762498358 655166030 /nfs/dbraw/zinc/16/60/30/655166030.db2.gz CDIGAROCBUOPQS-CYBMUJFWSA-N 1 0 383.539 1.660 20 0 GDADRO Cn1nnc(Br)c1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000810612300 655167525 /nfs/dbraw/zinc/16/75/25/655167525.db2.gz QGRQFNHBZNEDGP-VXGBXAGGSA-N 1 0 386.294 1.075 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000762556802 655169547 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[NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1 ZINC000841163052 655311610 /nfs/dbraw/zinc/31/16/10/655311610.db2.gz RAICZICUGDDTNT-LBPRGKRZSA-N 1 0 382.917 1.639 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cnc(Cl)c1Br ZINC000841179397 655312417 /nfs/dbraw/zinc/31/24/17/655312417.db2.gz PNOQJXNTIXKFCN-APPZFPTMSA-N 1 0 389.681 1.940 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000841185065 655312756 /nfs/dbraw/zinc/31/27/56/655312756.db2.gz CRKZJYGTDBKDCN-UHFFFAOYSA-N 1 0 381.274 1.773 20 0 GDADRO O=C(Nc1cccc(Br)n1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000841188473 655312987 /nfs/dbraw/zinc/31/29/87/655312987.db2.gz AYYSVZXNJMYEBJ-LBPRGKRZSA-N 1 0 396.289 1.520 20 0 GDADRO O=C(Nc1ccc(Br)nc1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000841198681 655313556 /nfs/dbraw/zinc/31/35/56/655313556.db2.gz XIXSCECVEUSFAD-ZDUSSCGKSA-N 1 0 381.274 1.773 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Br)n1 ZINC000841209904 655314415 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C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816608503 655330014 /nfs/dbraw/zinc/33/00/14/655330014.db2.gz BEOFCOLEWSEEDW-UKRRQHHQSA-N 1 0 375.535 1.646 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc2sc(Cl)nc2c1)N1CC[NH+](C)CC1 ZINC000841497684 655330465 /nfs/dbraw/zinc/33/04/65/655330465.db2.gz ZBROLTYXYGPXMB-NSHDSACASA-N 1 0 388.946 1.864 20 0 GDADRO COc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)nc1Br ZINC000816750114 655335165 /nfs/dbraw/zinc/33/51/65/655335165.db2.gz IDLMFSMZIZESDW-OLZOCXBDSA-N 1 0 384.274 1.788 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000841523463 655336730 /nfs/dbraw/zinc/33/67/30/655336730.db2.gz DPUGFLQYUFSPLA-SECBINFHSA-N 1 0 381.267 1.827 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[C@@H]2C1 ZINC000816952739 655339636 /nfs/dbraw/zinc/33/96/36/655339636.db2.gz QXQJGJYLNOIHPW-MLGOLLRUSA-N 1 0 383.901 1.511 20 0 GDADRO Cc1nc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c(Br)n1C ZINC000841572104 655350213 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GDADRO C[C@@](O)(CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccs1 ZINC000841988690 655355040 /nfs/dbraw/zinc/35/50/40/655355040.db2.gz JQGRAHCYSZAQQU-SMDDNHRTSA-N 1 0 380.436 1.091 20 0 GDADRO [NH3+]CCc1ccc(CNC(=O)C(=O)NCc2ccsc2Br)cc1 ZINC000842146610 655357629 /nfs/dbraw/zinc/35/76/29/655357629.db2.gz UDOQNGOSJQKJKG-UHFFFAOYSA-N 1 0 396.310 1.944 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCCSC(F)(F)F)C2CC3CC(C2)CC1C3 ZINC000842198682 655358062 /nfs/dbraw/zinc/35/80/62/655358062.db2.gz CVAJZBLFLRHNTG-UHFFFAOYSA-N 1 0 379.448 1.625 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc(Br)cc1F)C1CCCC1 ZINC000842260482 655360581 /nfs/dbraw/zinc/36/05/81/655360581.db2.gz IIGQQBLXYTUMBI-CQSZACIVSA-N 1 0 386.265 1.838 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCO[C@@H](c3ccccc3Br)C2)CCC1 ZINC000842268087 655360723 /nfs/dbraw/zinc/36/07/23/655360723.db2.gz LXSDGCTXLCYYTG-CQSZACIVSA-N 1 0 396.285 1.347 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000817863918 655361288 /nfs/dbraw/zinc/36/12/88/655361288.db2.gz YGLPSKBOQQJSJV-AXFHLTTASA-N 1 0 375.878 1.516 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000817989399 655363462 /nfs/dbraw/zinc/36/34/62/655363462.db2.gz NEAYNFYEERMFCB-SWLSCSKDSA-N 1 0 398.301 1.151 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)/C=C\c2ccc(I)o2)CCCO1 ZINC000818013071 655364554 /nfs/dbraw/zinc/36/45/54/655364554.db2.gz YFTVSQHIHISQQX-MZBZXASESA-N 1 0 376.194 1.474 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842480705 655366918 /nfs/dbraw/zinc/36/69/18/655366918.db2.gz AHOXCDFBPVJBNF-CBAPKCEASA-N 1 0 393.694 1.860 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000842482071 655367313 /nfs/dbraw/zinc/36/73/13/655367313.db2.gz XCGPEMIWGPVCCT-LLVKDONJSA-N 1 0 391.287 1.656 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1Br ZINC000842485118 655368089 /nfs/dbraw/zinc/36/80/89/655368089.db2.gz MRKODNFYJKTPCZ-NSHDSACASA-N 1 0 391.287 1.390 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cccn3c(I)cnc23)C[C@H]1C[NH3+] ZINC000842508498 655368377 /nfs/dbraw/zinc/36/83/77/655368377.db2.gz AFPVDJCSVZLNEP-GHMZBOCLSA-N 1 0 398.248 1.996 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000842508790 655368455 /nfs/dbraw/zinc/36/84/55/655368455.db2.gz FWFPEUQAUXRFCU-SNVBAGLBSA-N 1 0 391.287 1.042 20 0 GDADRO C[NH2+]C[C@H](C)c1noc(-c2cc(Br)cc(S(N)(=O)=O)c2C)n1 ZINC000842579419 655369127 /nfs/dbraw/zinc/36/91/27/655369127.db2.gz IAFSGYZIVFADPQ-ZETCQYMHSA-N 1 0 389.275 1.778 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)sc1S(N)(=O)=O ZINC000818183368 655369468 /nfs/dbraw/zinc/36/94/68/655369468.db2.gz UNIRDYJZOMEYBZ-OAHLLOKOSA-N 1 0 391.946 1.915 20 0 GDADRO [NH3+]CC1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000842684902 655371095 /nfs/dbraw/zinc/37/10/95/655371095.db2.gz LXWKEHSFXPTYTG-UHFFFAOYSA-N 1 0 386.417 1.340 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000842687516 655371301 /nfs/dbraw/zinc/37/13/01/655371301.db2.gz XVHOWUBQOAGPGO-UHFFFAOYSA-N 1 0 381.267 1.956 20 0 GDADRO CC[NH2+]CCCNS(=O)(=O)c1cc(C(=O)OCC)ccc1Br ZINC000842692324 655371447 /nfs/dbraw/zinc/37/14/47/655371447.db2.gz UFVUNIYOXBVQRN-UHFFFAOYSA-N 1 0 393.303 1.904 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(Br)o1 ZINC000842699311 655371829 /nfs/dbraw/zinc/37/18/29/655371829.db2.gz KSZRZQXCNNMBAO-DTWKUNHWSA-N 1 0 395.275 1.495 20 0 GDADRO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842699266 655371832 /nfs/dbraw/zinc/37/18/32/655371832.db2.gz PBFHAKMCBFHCDE-SNVBAGLBSA-N 1 0 386.417 1.258 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)[C@H]1CCC[NH2+]C1 ZINC000842699197 655371849 /nfs/dbraw/zinc/37/18/49/655371849.db2.gz JLLKYVRRJJDZHS-BDAKNGLRSA-N 1 0 386.948 1.471 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)s1 ZINC000842705359 655372359 /nfs/dbraw/zinc/37/23/59/655372359.db2.gz LYMVVROTSUROMP-NSHDSACASA-N 1 0 375.516 1.395 20 0 GDADRO O=S(=O)(CC[NH2+][C@@H](Cc1ccncc1)c1cccs1)N1CCOCC1 ZINC000818333203 655372562 /nfs/dbraw/zinc/37/25/62/655372562.db2.gz UXKTXOLIHJOGIR-INIZCTEOSA-N 1 0 381.523 1.679 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)[C@@H]1C[NH3+] ZINC000842721562 655373497 /nfs/dbraw/zinc/37/34/97/655373497.db2.gz JSHQFAKHLYYRGN-GXFFZTMASA-N 1 0 379.404 1.935 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000842726571 655373904 /nfs/dbraw/zinc/37/39/04/655373904.db2.gz JRUCHHXJLFRYLR-MNOVXSKESA-N 1 0 382.454 1.431 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000842726719 655374021 /nfs/dbraw/zinc/37/40/21/655374021.db2.gz MRHLPRWNDVWCGL-QWRGUYRKSA-N 1 0 379.404 1.935 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CCO1 ZINC000842743906 655374729 /nfs/dbraw/zinc/37/47/29/655374729.db2.gz LZRHTAINPABMFM-IONNQARKSA-N 1 0 384.683 1.234 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000842744306 655374836 /nfs/dbraw/zinc/37/48/36/655374836.db2.gz QDGAXMIDPGVEJH-LDYMZIIASA-N 1 0 397.266 1.334 20 0 GDADRO [NH3+]Cc1cccc(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000818517482 655375660 /nfs/dbraw/zinc/37/56/60/655375660.db2.gz CVMNMXQOLWTEMA-UHFFFAOYSA-N 1 0 379.404 1.437 20 0 GDADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818522440 655375961 /nfs/dbraw/zinc/37/59/61/655375961.db2.gz UNJDYHSXNSTWEZ-CQSZACIVSA-N 1 0 377.304 1.956 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)s1 ZINC000842773269 655376204 /nfs/dbraw/zinc/37/62/04/655376204.db2.gz BVLVZMGUTDJFHJ-CYBMUJFWSA-N 1 0 375.516 1.265 20 0 GDADRO C[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000842783443 655376595 /nfs/dbraw/zinc/37/65/95/655376595.db2.gz FJVPDIWZUDXSRU-QMMMGPOBSA-N 1 0 384.285 1.086 20 0 GDADRO COC[C@@]1(CNC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CCC[NH2+]1 ZINC000818589959 655376803 /nfs/dbraw/zinc/37/68/03/655376803.db2.gz OGSLTGMVSKVAFC-INIZCTEOSA-N 1 0 376.425 1.322 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NC[C@H]([NH3+])C2CC2)s1 ZINC000842789927 655377141 /nfs/dbraw/zinc/37/71/41/655377141.db2.gz FCWRDPUQWIYAJS-QMMMGPOBSA-N 1 0 383.289 1.313 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)/C=C\c1ccccc1Cl ZINC000842796196 655377644 /nfs/dbraw/zinc/37/76/44/655377644.db2.gz ZHSFUXBBFBNWCT-LMRWQKIVSA-N 1 0 385.917 1.960 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC[C@@H]1[NH3+] ZINC000842797056 655377771 /nfs/dbraw/zinc/37/77/71/655377771.db2.gz DXDLVRSDTNRSIR-BDAKNGLRSA-N 1 0 386.948 1.553 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000842799925 655378006 /nfs/dbraw/zinc/37/80/06/655378006.db2.gz WSYOHCCCKSQOAD-AOOOYVTPSA-N 1 0 377.260 1.394 20 0 GDADRO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N[C@H]3C[C@H]([NH3+])C3)cc21 ZINC000842800566 655378143 /nfs/dbraw/zinc/37/81/43/655378143.db2.gz YIDXWOYGLDQPCN-XYPYZODXSA-N 1 0 388.287 1.126 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c1 ZINC000842836859 655380572 /nfs/dbraw/zinc/38/05/72/655380572.db2.gz HZVXEXMHGFSOKI-UWVGGRQHSA-N 1 0 391.287 1.607 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000842846106 655380717 /nfs/dbraw/zinc/38/07/17/655380717.db2.gz ISBPDOARYJVOPN-ZDUSSCGKSA-N 1 0 381.267 1.956 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)s1 ZINC000842848337 655380851 /nfs/dbraw/zinc/38/08/51/655380851.db2.gz PYRXQQIILFVDPB-GFCCVEGCSA-N 1 0 397.316 1.657 20 0 GDADRO Cn1ncc(C(=O)Nc2ccnn2CC[NH+](C)C)c1I ZINC000818943771 655382042 /nfs/dbraw/zinc/38/20/42/655382042.db2.gz FVWKCAQXBGOYBG-UHFFFAOYSA-N 1 0 388.213 1.035 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000842875180 655382031 /nfs/dbraw/zinc/38/20/31/655382031.db2.gz HXHYZRIOLKHFPM-GHMZBOCLSA-N 1 0 398.428 1.353 20 0 GDADRO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc21 ZINC000842883828 655382483 /nfs/dbraw/zinc/38/24/83/655382483.db2.gz GWBOVUQRGQCUSN-DTWKUNHWSA-N 1 0 390.303 1.372 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000842883728 655382491 /nfs/dbraw/zinc/38/24/91/655382491.db2.gz XQJOLXVJOMXZGE-BDAKNGLRSA-N 1 0 379.276 1.640 20 0 GDADRO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc21 ZINC000842883835 655382674 /nfs/dbraw/zinc/38/26/74/655382674.db2.gz GWBOVUQRGQCUSN-RKDXNWHRSA-N 1 0 390.303 1.372 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000818976585 655382731 /nfs/dbraw/zinc/38/27/31/655382731.db2.gz JZUQZPAGMZXDCA-RISCZKNCSA-N 1 0 377.304 1.496 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)N1CCSCC1 ZINC000819035421 655383579 /nfs/dbraw/zinc/38/35/79/655383579.db2.gz SPACIRYIKNKITQ-CQSZACIVSA-N 1 0 382.910 1.481 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000819045846 655383800 /nfs/dbraw/zinc/38/38/00/655383800.db2.gz JKFWEQPDZHGXRZ-MRXNPFEDSA-N 1 0 390.933 1.178 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCCCCC[NH3+])c(OC)c1 ZINC000842919749 655384179 /nfs/dbraw/zinc/38/41/79/655384179.db2.gz OBXOHMCOZGSDTN-UHFFFAOYSA-N 1 0 393.531 1.254 20 0 GDADRO CSCC[C@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000819089154 655385366 /nfs/dbraw/zinc/38/53/66/655385366.db2.gz YZZWVHDLLDRNDN-ZDUSSCGKSA-N 1 0 394.584 1.442 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]CC(C)(C)S(C)(=O)=O)CC1 ZINC000819130392 655386736 /nfs/dbraw/zinc/38/67/36/655386736.db2.gz BXSCWDGETBMHLN-QGZVFWFLSA-N 1 0 378.535 1.551 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]CC(C)(C)S(C)(=O)=O)CC1 ZINC000819130391 655386759 /nfs/dbraw/zinc/38/67/59/655386759.db2.gz BXSCWDGETBMHLN-KRWDZBQOSA-N 1 0 378.535 1.551 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C[C@H](O)c2ccc(Br)cc2)C1=O ZINC000819129751 655386790 /nfs/dbraw/zinc/38/67/90/655386790.db2.gz OBKBSCRSPRZZEC-JDFRZJQESA-N 1 0 396.285 1.793 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843053059 655387523 /nfs/dbraw/zinc/38/75/23/655387523.db2.gz WJWZEXGNZQSCRP-UHFFFAOYSA-N 1 0 389.905 1.707 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(F)cn1)c1ccc(Cl)s1 ZINC000819185110 655387799 /nfs/dbraw/zinc/38/77/99/655387799.db2.gz HSXCULDHFANRCS-NSHDSACASA-N 1 0 379.866 1.537 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2ccc(F)cc2F)s1 ZINC000819180958 655387806 /nfs/dbraw/zinc/38/78/06/655387806.db2.gz ZXDVQEQEPXEHMW-AWEZNQCLSA-N 1 0 376.450 1.936 20 0 GDADRO COC[C@H](C)OC[C@@H](O)C[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000843084009 655388087 /nfs/dbraw/zinc/38/80/87/655388087.db2.gz UNJRIMIUZQPEST-CORIIIEPSA-N 1 0 375.849 1.147 20 0 GDADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCCN1CCO ZINC000843104544 655388647 /nfs/dbraw/zinc/38/86/47/655388647.db2.gz KHDDLPAQELBQHW-KGLIPLIRSA-N 1 0 375.238 1.195 20 0 GDADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000819266540 655389022 /nfs/dbraw/zinc/38/90/22/655389022.db2.gz YXDDGZWEGYWDGY-ZIAGYGMSSA-N 1 0 376.519 1.161 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C1CCN(c2nccs2)CC1 ZINC000819285599 655389246 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20 0 GDADRO C[C@H](CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)NS(=O)(=O)c1cccnc1Cl ZINC000843462017 655395510 /nfs/dbraw/zinc/39/55/10/655395510.db2.gz ZATBMAQZYNKWDH-MLGOLLRUSA-N 1 0 386.905 1.004 20 0 GDADRO CC1(NC(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC[NH2+]CC1 ZINC000843471675 655395949 /nfs/dbraw/zinc/39/59/49/655395949.db2.gz YSIIPUWIOBBKIS-UHFFFAOYSA-N 1 0 382.305 1.030 20 0 GDADRO COCCS(=O)(=O)CC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000819787416 655396050 /nfs/dbraw/zinc/39/60/50/655396050.db2.gz MKJBCIVZOSETNG-AWEZNQCLSA-N 1 0 376.906 1.163 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NCCC[NH2+]C2CC2)sc1Br ZINC000843513206 655397402 /nfs/dbraw/zinc/39/74/02/655397402.db2.gz XNHJVTLDRQOMQV-UHFFFAOYSA-N 1 0 382.305 1.030 20 0 GDADRO C[NH+]1CCN(CCNC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000820109747 655403050 /nfs/dbraw/zinc/40/30/50/655403050.db2.gz AYUKOPRFKZUTIW-NSHDSACASA-N 1 0 383.128 1.246 20 0 GDADRO C[N@@H+]1C[C@@H](CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)[C@H](c2ccccc2)C1 ZINC000844049590 655405970 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655558970 /nfs/dbraw/zinc/55/89/70/655558970.db2.gz YPACPEZBIUCXNK-DFBGVHRSSA-N 1 0 376.500 1.240 20 0 GDADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000850590969 655559453 /nfs/dbraw/zinc/55/94/53/655559453.db2.gz FSZVJLLMSYDKHO-UHFFFAOYSA-N 1 0 384.401 1.092 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)c(Cl)cc1Cl ZINC000850591816 655559577 /nfs/dbraw/zinc/55/95/77/655559577.db2.gz AWIYGJOBQSSRIJ-UHFFFAOYSA-N 1 0 379.265 1.810 20 0 GDADRO [NH3+]Cc1ccc(NC(=O)C(=O)N2CCn3ncc(Br)c3C2)cc1 ZINC000850858146 655570292 /nfs/dbraw/zinc/57/02/92/655570292.db2.gz VBINSOUBRZXQCQ-UHFFFAOYSA-N 1 0 378.230 1.085 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851688024 655590491 /nfs/dbraw/zinc/59/04/91/655590491.db2.gz OSKVCTBUGHGNDN-UHFFFAOYSA-N 1 0 384.249 1.115 20 0 GDADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NCCC2SCCS2)CC1 ZINC000851691431 655590642 /nfs/dbraw/zinc/59/06/42/655590642.db2.gz IHYWTWLAWVGGNK-UKRRQHHQSA-N 1 0 387.571 1.044 20 0 GDADRO CC(C)[C@@H]1CN(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC[NH2+]1 ZINC000851897523 655603413 /nfs/dbraw/zinc/60/34/13/655603413.db2.gz PKGFQZUYSAHYRL-HNNXBMFYSA-N 1 0 375.535 1.646 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000851898642 655603511 /nfs/dbraw/zinc/60/35/11/655603511.db2.gz WODLFDPYVSSPQC-DOMZBBRYSA-N 1 0 394.430 1.830 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000851980651 655604956 /nfs/dbraw/zinc/60/49/56/655604956.db2.gz IYGWIWBWEGSCGN-CYBMUJFWSA-N 1 0 387.468 1.917 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000852017966 655605818 /nfs/dbraw/zinc/60/58/18/655605818.db2.gz ICLIDJLWZQCMBR-QTVXIADOSA-N 1 0 379.390 1.754 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000852053449 655606727 /nfs/dbraw/zinc/60/67/27/655606727.db2.gz XSEWTENKVRGJGX-HIFRSBDPSA-N 1 0 398.462 1.365 20 0 GDADRO O=C(NCC[S@](=O)CC(F)(F)F)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000852121236 655608082 /nfs/dbraw/zinc/60/80/82/655608082.db2.gz MCQMKOPFLPOCIW-VDBVYFBLSA-N 1 0 385.452 1.098 20 0 GDADRO O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852461660 655615774 /nfs/dbraw/zinc/61/57/74/655615774.db2.gz YQHXHTUZORVPGM-DLUDVSRJSA-N 1 0 377.432 1.871 20 0 GDADRO COCC[NH+](CCOC)C1CCN(C(=O)NCC2SCCS2)CC1 ZINC000852669025 655619962 /nfs/dbraw/zinc/61/99/62/655619962.db2.gz NXGHVBMRHGFLKO-UHFFFAOYSA-N 1 0 377.576 1.561 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC[C@H]1F ZINC000852739184 655621836 /nfs/dbraw/zinc/62/18/36/655621836.db2.gz OCFOFZBPPOCEAX-BFHYXJOUSA-N 1 0 379.498 1.205 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)c1cnn(-c2ccccc2)c1Br ZINC000852793377 655622697 /nfs/dbraw/zinc/62/26/97/655622697.db2.gz ZDZRWYCGDFVYGM-UHFFFAOYSA-N 1 0 378.274 1.270 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2I)C1 ZINC000852793539 655622708 /nfs/dbraw/zinc/62/27/08/655622708.db2.gz BNKFELPAAKEOCT-JTQLQIEISA-N 1 0 382.205 1.650 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NCc2cc(Br)ccc2OC(F)F)=NO1 ZINC000852828804 655623720 /nfs/dbraw/zinc/62/37/20/655623720.db2.gz RLMMARNYFMMVTO-VIFPVBQESA-N 1 0 378.173 1.770 20 0 GDADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCN(c2ccc(Br)cc2)CC1 ZINC000852853490 655624149 /nfs/dbraw/zinc/62/41/49/655624149.db2.gz HJFBQYANOYCTRN-UHFFFAOYSA-N 1 0 390.285 1.780 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000852865911 655624608 /nfs/dbraw/zinc/62/46/08/655624608.db2.gz CCSPWURVXZAIRJ-UHFFFAOYSA-N 1 0 383.901 1.606 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)=NO1 ZINC000852862438 655624634 /nfs/dbraw/zinc/62/46/34/655624634.db2.gz DWHPLLFEEICYFR-FZMZJTMJSA-N 1 0 381.274 1.495 20 0 GDADRO C[C@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1(Br)Br ZINC000852878910 655624950 /nfs/dbraw/zinc/62/49/50/655624950.db2.gz AOYZBQMKJYWMSS-ZYHUDNBSSA-N 1 0 395.139 1.389 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CC[C@@]3(CCC[NH2+]3)C1)C2 ZINC000852924512 655628556 /nfs/dbraw/zinc/62/85/56/655628556.db2.gz KXVZPXLJSKODED-SFHVURJKSA-N 1 0 392.297 1.954 20 0 GDADRO C[NH+](C)CCN1CCC(NC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000853301868 655638044 /nfs/dbraw/zinc/63/80/44/655638044.db2.gz SQBFMCIKBHWKKO-UHFFFAOYSA-N 1 0 399.337 1.197 20 0 GDADRO CC(C)(C)n1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(Br)n1 ZINC000854352398 655663580 /nfs/dbraw/zinc/66/35/80/655663580.db2.gz BTDCSJLNXCWJCD-GFCCVEGCSA-N 1 0 384.322 1.520 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000854528298 655668811 /nfs/dbraw/zinc/66/88/11/655668811.db2.gz YBTDUGVUOCMOEW-SNVBAGLBSA-N 1 0 392.319 1.555 20 0 GDADRO COc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cnc1Br ZINC000854641906 655673184 /nfs/dbraw/zinc/67/31/84/655673184.db2.gz HICPAJNCBYPLTE-STQMWFEESA-N 1 0 384.274 1.788 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)sc1S(N)(=O)=O ZINC000854734863 655675424 /nfs/dbraw/zinc/67/54/24/655675424.db2.gz FFGGIDRWGZHLIE-OAHLLOKOSA-N 1 0 391.946 1.915 20 0 GDADRO CC(C)(C)n1ncc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1Br ZINC000854742553 655675571 /nfs/dbraw/zinc/67/55/71/655675571.db2.gz FFIUUQSDWXRKQX-LBPRGKRZSA-N 1 0 387.322 1.977 20 0 GDADRO O=C(NCC[S@@](=O)CC(F)(F)F)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000855275076 655689613 /nfs/dbraw/zinc/68/96/13/655689613.db2.gz YDFHYJMPKABEKD-SGANQWHYSA-N 1 0 378.416 1.051 20 0 GDADRO C[NH+]1CCC(CNC(=O)NCC[C@H]2CC2(Cl)Cl)(N2CCOCC2)CC1 ZINC000856862812 655720666 /nfs/dbraw/zinc/72/06/66/655720666.db2.gz CCVGIVWLFGUJFS-AWEZNQCLSA-N 1 0 393.359 1.666 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)NCC[C@H]2CC2(Cl)Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000857104967 655727905 /nfs/dbraw/zinc/72/79/05/655727905.db2.gz BWJUGROFEQQHLM-IHRRRGAJSA-N 1 0 391.343 1.860 20 0 GDADRO O=C(NCC[C@H]1CC1(Cl)Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000857103675 655727916 /nfs/dbraw/zinc/72/79/16/655727916.db2.gz MIRAGCBJOQSLFP-VHSXEESVSA-N 1 0 377.238 1.706 20 0 GDADRO O=C(c1c(Br)nc2n1CCOC2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000857117779 655728192 /nfs/dbraw/zinc/72/81/92/655728192.db2.gz SZBBHCRXWFCGFH-GFCCVEGCSA-N 1 0 383.290 1.876 20 0 GDADRO O=C(c1c(Br)nc2n1CCOC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000857122900 655728261 /nfs/dbraw/zinc/72/82/61/655728261.db2.gz GICCSJOCOAARCI-LBPRGKRZSA-N 1 0 383.290 1.876 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(Br)nc2n1CCOC2 ZINC000857173090 655729796 /nfs/dbraw/zinc/72/97/96/655729796.db2.gz JAXZAGCAQCOITF-NSHDSACASA-N 1 0 385.306 1.978 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC([NH+](C)C)C2)c1 ZINC000857231805 655731603 /nfs/dbraw/zinc/73/16/03/655731603.db2.gz UFKHMSZSDFFBRU-UHFFFAOYSA-N 1 0 389.905 1.087 20 0 GDADRO CC[NH+]1CCN(CCC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000857336864 655735076 /nfs/dbraw/zinc/73/50/76/655735076.db2.gz VJDJASCCQKVMAI-UHFFFAOYSA-N 1 0 396.329 1.507 20 0 GDADRO Cn1cc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c(Br)n1 ZINC000858095629 655744344 /nfs/dbraw/zinc/74/43/44/655744344.db2.gz VFNGPFDEBWVTAP-UHFFFAOYSA-N 1 0 398.305 1.917 20 0 GDADRO COc1ccc(COC[C@H](O)C[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000858111691 655744669 /nfs/dbraw/zinc/74/46/69/655744669.db2.gz OXOFCDGIGIKHQF-CQSZACIVSA-N 1 0 384.274 1.859 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000858306729 655747020 /nfs/dbraw/zinc/74/70/20/655747020.db2.gz PVDSGPHSFVRXAB-HNNXBMFYSA-N 1 0 380.290 1.568 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)C1CCS(=O)(=O)CC1 ZINC000858527163 655749035 /nfs/dbraw/zinc/74/90/35/655749035.db2.gz OPFIKUWEEJYIKY-HIFRSBDPSA-N 1 0 376.519 1.425 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1)C(F)(F)F ZINC000858608754 655750055 /nfs/dbraw/zinc/75/00/55/655750055.db2.gz LUKBUVPEGBQHCT-PWSUYJOCSA-N 1 0 377.388 1.702 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1)C(F)(F)F ZINC000858613707 655750336 /nfs/dbraw/zinc/75/03/36/655750336.db2.gz QVJKCFSWSJYNTH-MFKMUULPSA-N 1 0 377.388 1.560 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)sc1C ZINC000858618142 655750722 /nfs/dbraw/zinc/75/07/22/655750722.db2.gz UCBSLFOYTHQSMT-KGLIPLIRSA-N 1 0 385.511 1.311 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)NC2(C[NH3+])CCOCC2)ccc1Br ZINC000858629945 655751399 /nfs/dbraw/zinc/75/13/99/655751399.db2.gz DXTFSCZZFSIYNM-UHFFFAOYSA-N 1 0 391.287 1.438 20 0 GDADRO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC[N@@H+]1C ZINC000859019444 655759515 /nfs/dbraw/zinc/75/95/15/655759515.db2.gz QMLRRKBGIMDQQH-CMPLNLGQSA-N 1 0 379.404 1.948 20 0 GDADRO C[C@H]([NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccns1 ZINC000860054449 655794331 /nfs/dbraw/zinc/79/43/31/655794331.db2.gz KTBLHYYCFJOXSX-LBPRGKRZSA-N 1 0 382.511 1.190 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1cc2c(cc1Br)OCCO2 ZINC000860297779 655798238 /nfs/dbraw/zinc/79/82/38/655798238.db2.gz BJRSTXFISOIYAI-JTQLQIEISA-N 1 0 386.246 1.408 20 0 GDADRO CO[C@@H]1CN(C)[C@](C)(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000861340192 655819687 /nfs/dbraw/zinc/81/96/87/655819687.db2.gz GBPXGPBFPAWRHR-LRDDRELGSA-N 1 0 377.409 1.949 20 0 GDADRO Cc1cnc(Cl)c(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000861515972 655824271 /nfs/dbraw/zinc/82/42/71/655824271.db2.gz UMLZKHLOOVFZRW-NXEZZACHSA-N 1 0 378.782 1.968 20 0 GDADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861718715 655829046 /nfs/dbraw/zinc/82/90/46/655829046.db2.gz YTRPSUBQFXZXCV-FMKPAKJESA-N 1 0 381.270 1.420 20 0 GDADRO CC(C)(C)n1ncc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1Br ZINC000861719827 655829198 /nfs/dbraw/zinc/82/91/98/655829198.db2.gz PEFJMOBJRJRWIP-NEPJUHHUSA-N 1 0 385.306 1.682 20 0 GDADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861718717 655829232 /nfs/dbraw/zinc/82/92/32/655829232.db2.gz YTRPSUBQFXZXCV-YCPHGPKFSA-N 1 0 381.270 1.420 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000861756065 655830103 /nfs/dbraw/zinc/83/01/03/655830103.db2.gz XZNQMHRPFXARBK-CHWSQXEVSA-N 1 0 384.318 1.940 20 0 GDADRO Cn1cc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)nn1 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396.241 1.380 20 0 GDADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cc(I)nn1C ZINC000864081919 655889730 /nfs/dbraw/zinc/88/97/30/655889730.db2.gz MXLFZYPSOVPTMH-IVZWLZJFSA-N 1 0 376.242 1.578 20 0 GDADRO CC(=O)N[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000865008942 655910009 /nfs/dbraw/zinc/91/00/09/655910009.db2.gz QFXWGHMMORGGNO-HOCLYGCPSA-N 1 0 380.286 1.979 20 0 GDADRO CC(C)C[NH+]1CCC(NC(=O)c2cc(I)nn2C)CC1 ZINC000865029045 655910504 /nfs/dbraw/zinc/91/05/04/655910504.db2.gz PDNJOYMXLQRNKG-UHFFFAOYSA-N 1 0 390.269 1.875 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000865060028 655911154 /nfs/dbraw/zinc/91/11/54/655911154.db2.gz OLHZWNNLSWLBKR-LLVKDONJSA-N 1 0 388.253 1.725 20 0 GDADRO COCC[N@H+](C)CCCNc1ccc(Br)cc1S(N)(=O)=O ZINC000865442955 655919961 /nfs/dbraw/zinc/91/99/61/655919961.db2.gz RCCGXZXGKOKEDG-UHFFFAOYSA-N 1 0 380.308 1.477 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865451608 655920122 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O=C(Nc1ccccc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C(F)(F)F ZINC000866772158 655961629 /nfs/dbraw/zinc/96/16/29/655961629.db2.gz QENSMGMNYUUKQO-AWEZNQCLSA-N 1 0 377.388 1.704 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1Br ZINC000866775038 655961969 /nfs/dbraw/zinc/96/19/69/655961969.db2.gz ZTUKWPITOYLHTF-GFCCVEGCSA-N 1 0 385.287 1.429 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)C2 ZINC000866779318 655962675 /nfs/dbraw/zinc/96/26/75/655962675.db2.gz LDAYRWSKHGOLIJ-IINYFYTJSA-N 1 0 377.388 1.689 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000866779354 655962747 /nfs/dbraw/zinc/96/27/47/655962747.db2.gz LPDLWNVPPSEZAB-UHFFFAOYSA-N 1 0 393.303 1.385 20 0 GDADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000866790188 655963850 /nfs/dbraw/zinc/96/38/50/655963850.db2.gz QEXRCLVMLWKGKT-IUCAKERBSA-N 1 0 381.679 1.846 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000866791839 655964107 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[NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000868306703 656150191 /nfs/dbraw/zinc/15/01/91/656150191.db2.gz ZDFTZSKELLKJLW-MGCOHNPYSA-N 1 0 377.242 1.789 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](COC)c2cccc(Br)c2)C1 ZINC000868386920 656153519 /nfs/dbraw/zinc/15/35/19/656153519.db2.gz KFJVOHKAWDIDMO-SWLSCSKDSA-N 1 0 398.301 1.321 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1cccc(Br)c1 ZINC000868387320 656153522 /nfs/dbraw/zinc/15/35/22/656153522.db2.gz AUMADMREJOZRFZ-KYOSRNDESA-N 1 0 398.301 1.449 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000868400985 656154218 /nfs/dbraw/zinc/15/42/18/656154218.db2.gz ORNYUFWXIXLCLZ-QLFBSQMISA-N 1 0 396.285 1.216 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868416736 656154806 /nfs/dbraw/zinc/15/48/06/656154806.db2.gz FZLUAUFXKSHLCH-HUUCEWRRSA-N 1 0 398.276 1.900 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868423184 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COc1cc(I)ccc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000869503729 656198914 /nfs/dbraw/zinc/19/89/14/656198914.db2.gz IZEINIPULDEVPA-NSHDSACASA-N 1 0 390.221 1.096 20 0 GDADRO Cn1nc(I)cc1C(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000870344501 656230783 /nfs/dbraw/zinc/23/07/83/656230783.db2.gz SUVLNZCLSBUJCH-ZJUUUORDSA-N 1 0 375.210 1.808 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)CC[NH2+]CC3CC3)CC2)c(C)s1 ZINC000870874450 656251357 /nfs/dbraw/zinc/25/13/57/656251357.db2.gz CBUUABIXMONOTB-UHFFFAOYSA-N 1 0 385.555 1.588 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1cccc(Br)c1 ZINC000870938702 656256809 /nfs/dbraw/zinc/25/68/09/656256809.db2.gz UAYRJLRCOZFRMN-KMUNFCNLSA-N 1 0 384.274 1.201 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000870949307 656258832 /nfs/dbraw/zinc/25/88/32/656258832.db2.gz ZWYQKJTZVOWKJX-UHFFFAOYSA-N 1 0 381.274 1.937 20 0 GDADRO COc1cc(I)c(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1OC ZINC000870967325 656259243 /nfs/dbraw/zinc/25/92/43/656259243.db2.gz QZIOOYMVSOGCJG-DTORHVGOSA-N 1 0 390.221 1.776 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 ZINC000870968255 656259288 /nfs/dbraw/zinc/25/92/88/656259288.db2.gz ONYRGBIPUGCABA-KLPPZKSPSA-N 1 0 382.258 1.418 20 0 GDADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000870975794 656259475 /nfs/dbraw/zinc/25/94/75/656259475.db2.gz CNPSBHIXZUKKSV-LXTVHRRPSA-N 1 0 383.539 1.548 20 0 GDADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000870989578 656259596 /nfs/dbraw/zinc/25/95/96/656259596.db2.gz LJHIBQGAYKWELI-HNNXBMFYSA-N 1 0 393.962 1.903 20 0 GDADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C1 ZINC000870995605 656259646 /nfs/dbraw/zinc/25/96/46/656259646.db2.gz QKFQBUJANFMSIM-QGZVFWFLSA-N 1 0 387.571 1.677 20 0 GDADRO C[C@H](CC(=O)NCc1c(I)cnn1C)[C@H]1CCC[NH2+]C1 ZINC000871020326 656260421 /nfs/dbraw/zinc/26/04/21/656260421.db2.gz UDFRZQUWZUAUKR-MNOVXSKESA-N 1 0 390.269 1.667 20 0 GDADRO COc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000871108742 656261852 /nfs/dbraw/zinc/26/18/52/656261852.db2.gz KZGMCVRWQVTEHH-LLVKDONJSA-N 1 0 384.274 1.806 20 0 GDADRO C[NH+]1CCN(Cc2cn(C[C@@H](O)c3ccc(Br)cc3)nn2)CC1 ZINC000871620039 656274906 /nfs/dbraw/zinc/27/49/06/656274906.db2.gz VLIHTAPAZFMYIA-MRXNPFEDSA-N 1 0 380.290 1.522 20 0 GDADRO COc1cc(F)c(S(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c(F)c1 ZINC000871809851 656280930 /nfs/dbraw/zinc/28/09/30/656280930.db2.gz HUSGTGLYPUQWKA-LBPRGKRZSA-N 1 0 376.425 1.410 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)ccnc1Cl ZINC000871811872 656281243 /nfs/dbraw/zinc/28/12/43/656281243.db2.gz WIABCGKJYSMVMO-JTQLQIEISA-N 1 0 380.297 1.825 20 0 GDADRO CCc1nc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1CC1CC1 ZINC000871813233 656281882 /nfs/dbraw/zinc/28/18/82/656281882.db2.gz PCRBBSKRJBGMBQ-RYUDHWBXSA-N 1 0 380.436 1.613 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C[C@H]1C(F)(F)F ZINC000871813285 656281889 /nfs/dbraw/zinc/28/18/89/656281889.db2.gz HSDCCMFBGDNDTK-IONNQARKSA-N 1 0 377.310 1.858 20 0 GDADRO COC(=O)c1ccc(F)cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871813921 656282245 /nfs/dbraw/zinc/28/22/45/656282245.db2.gz LIGCFACHRHDLIS-GZMMTYOYSA-N 1 0 384.351 1.370 20 0 GDADRO CCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000871814044 656282504 /nfs/dbraw/zinc/28/25/04/656282504.db2.gz OKRSTEAJOVIPEU-MFKMUULPSA-N 1 0 379.404 1.793 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C[C@@H]1C(F)(F)F ZINC000871814222 656282607 /nfs/dbraw/zinc/28/26/07/656282607.db2.gz QVDAPDHJYYTYFJ-PWSUYJOCSA-N 1 0 375.372 1.286 20 0 GDADRO [NH3+]C[C@@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C[C@@H]1C(F)(F)F ZINC000872150753 656318934 /nfs/dbraw/zinc/31/89/34/656318934.db2.gz ROOMMLKBQBYTGB-YPMHNXCESA-N 1 0 381.420 1.633 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872185108 656319396 /nfs/dbraw/zinc/31/93/96/656319396.db2.gz HBBQZDHRJHTDQV-SCZZXKLOSA-N 1 0 383.823 1.956 20 0 GDADRO CN(Cc1cccc(Cl)c1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872184977 656319432 /nfs/dbraw/zinc/31/94/32/656319432.db2.gz FBLJILLBZYPDAT-DGCLKSJQSA-N 1 0 377.794 1.894 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872187701 656319581 /nfs/dbraw/zinc/31/95/81/656319581.db2.gz JFJKDYNSBCEQBT-XHDPSFHLSA-N 1 0 386.315 1.537 20 0 GDADRO CC(C)(O)C[C@H](O)C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000872207834 656319993 /nfs/dbraw/zinc/31/99/93/656319993.db2.gz FGDUMBZHPBXDQC-LBPRGKRZSA-N 1 0 392.237 1.341 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC000872459947 656333538 /nfs/dbraw/zinc/33/35/38/656333538.db2.gz YYPUDCDQMWYKEV-LFVRLGFBSA-N 1 0 383.580 1.560 20 0 GDADRO O=S(=O)(c1ccc(F)c(Br)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872617540 656366346 /nfs/dbraw/zinc/36/63/46/656366346.db2.gz NHSOBCOSWRNWKS-WDEREUQCSA-N 1 0 393.278 1.418 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(Cn3nc(Br)nc3Br)CC[C@@H]21 ZINC000872723445 656375140 /nfs/dbraw/zinc/37/51/40/656375140.db2.gz LMXMQAPSTXNNIH-BDAKNGLRSA-N 1 0 379.100 1.787 20 0 GDADRO COc1ccc(Cl)c(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873105494 656386434 /nfs/dbraw/zinc/38/64/34/656386434.db2.gz XLNQYRFOUSCRMG-WPRPVWTQSA-N 1 0 379.766 1.883 20 0 GDADRO Fc1cccc(C[NH2+][C@@H]2CCc3nnnn3CC2)c1I ZINC000873132218 656387824 /nfs/dbraw/zinc/38/78/24/656387824.db2.gz LOGRIGUZVLESTF-SNVBAGLBSA-N 1 0 387.200 1.912 20 0 GDADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)Nc1nnc(CC(F)(F)F)s1 ZINC000873317103 656390521 /nfs/dbraw/zinc/39/05/21/656390521.db2.gz ZZTYGAPUQDHAMU-SECBINFHSA-N 1 0 379.408 1.923 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C[C@H]1C(F)(F)F ZINC000873316333 656390579 /nfs/dbraw/zinc/39/05/79/656390579.db2.gz KVBHBEZUJPZCHL-ZYHUDNBSSA-N 1 0 377.388 1.617 20 0 GDADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000873653480 656401130 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CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000895570311 658711432 /nfs/dbraw/zinc/71/14/32/658711432.db2.gz SRWHXNLFJKUACP-HNNXBMFYSA-N 1 0 379.448 1.953 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)c2nn3c(c2Br)CCC3)C[C@@H](C)O1 ZINC000895569138 658711488 /nfs/dbraw/zinc/71/14/88/658711488.db2.gz YZVQGBUCCBICDQ-VXGBXAGGSA-N 1 0 385.306 1.821 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000895688770 658720776 /nfs/dbraw/zinc/72/07/76/658720776.db2.gz LEFMVSCBQRTLBO-VIFPVBQESA-N 1 0 376.242 1.927 20 0 GDADRO COCC[N@H+](C)CCNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000896096712 658750063 /nfs/dbraw/zinc/75/00/63/658750063.db2.gz DXUTWGOSOWAGDE-AWEZNQCLSA-N 1 0 385.258 1.225 20 0 GDADRO O=C(NCCc1sccc1Br)NCC[NH+]1CCC(O)CC1 ZINC000896444931 658778890 /nfs/dbraw/zinc/77/88/90/658778890.db2.gz JMDPXQGGAIBKJZ-UHFFFAOYSA-N 1 0 376.320 1.809 20 0 GDADRO C[C@@H](NC(=O)c1ccc(C(F)(F)Br)nc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896532741 658784532 /nfs/dbraw/zinc/78/45/32/658784532.db2.gz VGYCDYJDIXZASD-PWSUYJOCSA-N 1 0 391.260 1.890 20 0 GDADRO C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896534760 658785711 /nfs/dbraw/zinc/78/57/11/658785711.db2.gz VTUXWOJDWWZNNH-YPMHNXCESA-N 1 0 386.338 1.765 20 0 GDADRO C[C@@H](NC(=O)CN1C(=S)N=NC1c1cccs1)[C@@H]1C[N@H+](C)CCN1C ZINC000896578312 658791035 /nfs/dbraw/zinc/79/10/35/658791035.db2.gz XMRJIBYCLCZQEG-NEPJUHHUSA-N 1 0 380.543 1.046 20 0 GDADRO CO[C@]1(C[NH2+]Cc2ccc(C(F)(F)F)nc2N(C)C)CCS(=O)(=O)C1 ZINC000896683629 658801515 /nfs/dbraw/zinc/80/15/15/658801515.db2.gz OUJVEQAKEZLLLX-AWEZNQCLSA-N 1 0 381.420 1.460 20 0 GDADRO CC(C)[C@@H](CNC(=O)c1nn2c(c1Br)CCC2)N1CC[NH+](C)CC1 ZINC000896708390 658802932 /nfs/dbraw/zinc/80/29/32/658802932.db2.gz QMHANBDMZAGSIM-CQSZACIVSA-N 1 0 398.349 1.594 20 0 GDADRO O=C(c1nn2c(c1Br)CCC2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000896854862 658810677 /nfs/dbraw/zinc/81/06/77/658810677.db2.gz FSQCJSLATSBNNS-LBPRGKRZSA-N 1 0 383.290 1.386 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000897420750 658851785 /nfs/dbraw/zinc/85/17/85/658851785.db2.gz GNAZTZOOQZLKEH-UHFFFAOYSA-N 1 0 375.535 1.884 20 0 GDADRO COC(=O)c1ccc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)c(Br)c1 ZINC000897513006 658859340 /nfs/dbraw/zinc/85/93/40/658859340.db2.gz GTPHJDYTQFPKAW-AWEZNQCLSA-N 1 0 397.269 1.573 20 0 GDADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897564884 658864712 /nfs/dbraw/zinc/86/47/12/658864712.db2.gz DLEVFIVRQQPSFG-PBHICJAKSA-N 1 0 397.313 1.437 20 0 GDADRO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897565653 658865393 /nfs/dbraw/zinc/86/53/93/658865393.db2.gz QLLMDAWISKXUAK-WMLDXEAASA-N 1 0 397.313 1.437 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)nc2N(C)C)C[C@H]1CS(N)(=O)=O ZINC000897605092 658872362 /nfs/dbraw/zinc/87/23/62/658872362.db2.gz BAQOLPMDDYWUII-PWSUYJOCSA-N 1 0 380.436 1.523 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCCS2)CCN1c1cc[nH+]cc1 ZINC000897748623 658886665 /nfs/dbraw/zinc/88/66/65/658886665.db2.gz YDBFXJUSTQRJMD-HIFRSBDPSA-N 1 0 380.539 1.084 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897844658 658894788 /nfs/dbraw/zinc/89/47/88/658894788.db2.gz UHRJRBWWNGXSPC-SSBMMKRYSA-N 1 0 383.286 1.965 20 0 GDADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977324 658906707 /nfs/dbraw/zinc/90/67/07/658906707.db2.gz CVCMIEJBEZZFEI-OASPWFOLSA-N 1 0 381.274 1.744 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCc2sccc2Br)C1 ZINC000898129247 658916871 /nfs/dbraw/zinc/91/68/71/658916871.db2.gz YTEZGQGHBMUSGH-LLVKDONJSA-N 1 0 388.331 1.770 20 0 GDADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ncc(Br)cn1 ZINC000898401426 658934168 /nfs/dbraw/zinc/93/41/68/658934168.db2.gz QQLBIQSVSGMHLN-UHFFFAOYSA-N 1 0 399.337 1.407 20 0 GDADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC([NH+]2CCCC2)C1 ZINC000898606184 658942138 /nfs/dbraw/zinc/94/21/38/658942138.db2.gz QGCXPJDQUNCNKX-UHFFFAOYSA-N 1 0 380.242 1.700 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898613880 658942461 /nfs/dbraw/zinc/94/24/61/658942461.db2.gz XRFKDSLDWMXPLU-JTQLQIEISA-N 1 0 386.315 1.936 20 0 GDADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1cn(C[C@H]3CCOC3)nn1)CC2 ZINC000898719674 658951893 /nfs/dbraw/zinc/95/18/93/658951893.db2.gz HPPIIDFDTWDOJS-NEPJUHHUSA-N 1 0 381.278 1.378 20 0 GDADRO O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898723511 658952497 /nfs/dbraw/zinc/95/24/97/658952497.db2.gz FTMLASOORWLEKU-LLVKDONJSA-N 1 0 389.253 1.846 20 0 GDADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899162648 658989849 /nfs/dbraw/zinc/98/98/49/658989849.db2.gz GQWIUMPMXZBVLI-SIXLDLHFSA-N 1 0 377.282 1.924 20 0 GDADRO Ic1ccccc1-n1cc(CCN2CC[NH2+]CC2)nn1 ZINC000899745240 659058176 /nfs/dbraw/zinc/05/81/76/659058176.db2.gz DAUUPEXBVOLSPP-UHFFFAOYSA-N 1 0 383.237 1.320 20 0 GDADRO O=S1(=O)CC[C@H](c2nc(-c3cn(C[C@H]4CCCC[NH2+]C4)nn3)cs2)C1 ZINC000899755771 659059299 /nfs/dbraw/zinc/05/92/99/659059299.db2.gz YNGPKEQDJZGWHI-STQMWFEESA-N 1 0 381.527 1.693 20 0 GDADRO O=C(N1CCC[C@H]([NH2+]C2CCOCC2)C1)C1(n2cc(Br)cn2)CC1 ZINC000899927421 659068516 /nfs/dbraw/zinc/06/85/16/659068516.db2.gz QDDMUCQMJFZJNX-HNNXBMFYSA-N 1 0 397.317 1.894 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)c(C)s1 ZINC000900395479 659104864 /nfs/dbraw/zinc/10/48/64/659104864.db2.gz UQGQUIGDBOWHTI-UHFFFAOYSA-N 1 0 383.539 1.294 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900464234 659110374 /nfs/dbraw/zinc/11/03/74/659110374.db2.gz JGNXXMLUMIXNFZ-SUMWQHHRSA-N 1 0 398.301 1.657 20 0 GDADRO CCn1c(Br)ncc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900674253 659134524 /nfs/dbraw/zinc/13/45/24/659134524.db2.gz KHCHTBKSGFQACJ-LBPRGKRZSA-N 1 0 384.322 1.564 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)Cn1nc(Br)c(Br)n1 ZINC000900694480 659137320 /nfs/dbraw/zinc/13/73/20/659137320.db2.gz HXLDYOOVVWPZTE-MRVPVSSYSA-N 1 0 397.115 1.650 20 0 GDADRO CCO[C@H](CNC(=O)c1cccnc1I)C[NH+](C)C ZINC000900691678 659137433 /nfs/dbraw/zinc/13/74/33/659137433.db2.gz ODHSGMWIOOUDHT-SNVBAGLBSA-N 1 0 377.226 1.383 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000900800984 659146345 /nfs/dbraw/zinc/14/63/45/659146345.db2.gz OOXYNHMBKXJRIN-UONOGXRCSA-N 1 0 385.555 1.757 20 0 GDADRO C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)[C@@H]1C[N@H+](C)CCN1C ZINC000900808278 659148340 /nfs/dbraw/zinc/14/83/40/659148340.db2.gz WKMDWYVDDGDTAZ-AAEUAGOBSA-N 1 0 376.448 1.943 20 0 GDADRO CN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000901316183 659210004 /nfs/dbraw/zinc/21/00/04/659210004.db2.gz UGVPIFCEVUUPNL-WBVHZDCISA-N 1 0 398.301 1.281 20 0 GDADRO O=C1c2cccc(Br)c2CN1CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000902644802 659269474 /nfs/dbraw/zinc/26/94/74/659269474.db2.gz QEDLVQZEKROSFT-IAGOWNOFSA-N 1 0 394.313 1.893 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000903094599 659294765 /nfs/dbraw/zinc/29/47/65/659294765.db2.gz GCYYTYFFYDIVSM-CQSZACIVSA-N 1 0 389.547 1.386 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903179835 659299620 /nfs/dbraw/zinc/29/96/20/659299620.db2.gz ULRCZYAVKKLIOY-ZDUSSCGKSA-N 1 0 376.519 1.616 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)CCC1 ZINC000903189023 659300221 /nfs/dbraw/zinc/30/02/21/659300221.db2.gz MNVKPYRNSDPTHR-UHFFFAOYSA-N 1 0 394.603 1.820 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)CCN1Cc1ccccc1 ZINC000903229675 659307679 /nfs/dbraw/zinc/30/76/79/659307679.db2.gz MMXFNDYSCHUDDT-RDJZCZTQSA-N 1 0 387.571 1.687 20 0 GDADRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903230151 659308232 /nfs/dbraw/zinc/30/82/32/659308232.db2.gz WGRZPSFZJIVHSA-GFCCVEGCSA-N 1 0 376.500 1.383 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN3CCSC[C@@H]13)CCC2 ZINC000903271712 659311897 /nfs/dbraw/zinc/31/18/97/659311897.db2.gz LAHSPZIDKNMACD-SQNIBIBYSA-N 1 0 381.567 1.881 20 0 GDADRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CCS(=O)(=O)C1 ZINC000903365909 659314107 /nfs/dbraw/zinc/31/41/07/659314107.db2.gz AQOPIVNDZHQKRR-NHYWBVRUSA-N 1 0 397.465 1.537 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(I)s1 ZINC000903497625 659319093 /nfs/dbraw/zinc/31/90/93/659319093.db2.gz LGLINSQYLXQSRH-HTQZYQBOSA-N 1 0 386.280 1.629 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1CCC2(CC[NH2+]2)CC1 ZINC000903506519 659320275 /nfs/dbraw/zinc/32/02/75/659320275.db2.gz WDTOKVRYKASTEA-UHFFFAOYSA-N 1 0 398.291 1.869 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903513246 659322421 /nfs/dbraw/zinc/32/24/21/659322421.db2.gz ZQNFYQMFWQTBHQ-NSHDSACASA-N 1 0 391.287 1.821 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)CCO1 ZINC000903513609 659322916 /nfs/dbraw/zinc/32/29/16/659322916.db2.gz PMVCDAWPRLLKRX-JOYOIKCWSA-N 1 0 381.267 1.466 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[NH2+]CC2(C)C)c1F ZINC000903513641 659322927 /nfs/dbraw/zinc/32/29/27/659322927.db2.gz QPGOETGVWYJDST-UHFFFAOYSA-N 1 0 381.267 1.969 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)Cc2cc3c(cc2Br)OCO3)CCC1 ZINC000903513594 659322953 /nfs/dbraw/zinc/32/29/53/659322953.db2.gz DRVVSRIHQTXLNH-UHFFFAOYSA-N 1 0 377.260 1.479 20 0 GDADRO Cn1cc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C2CCCC2)n1 ZINC000903515292 659323749 /nfs/dbraw/zinc/32/37/49/659323749.db2.gz LRVWZRGMYFJMOG-RYUDHWBXSA-N 1 0 380.436 1.835 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903517133 659324333 /nfs/dbraw/zinc/32/43/33/659324333.db2.gz BEQDEVKOUGXRCM-JOYOIKCWSA-N 1 0 391.287 1.595 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903522591 659328547 /nfs/dbraw/zinc/32/85/47/659328547.db2.gz SYDVIUCMGTUBBI-GXSJLCMTSA-N 1 0 391.287 1.725 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1F ZINC000903522605 659328668 /nfs/dbraw/zinc/32/86/68/659328668.db2.gz UMEYSMXCRUMALY-GXSJLCMTSA-N 1 0 393.278 1.969 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000903530321 659331230 /nfs/dbraw/zinc/33/12/30/659331230.db2.gz YFPMOQGQPNYQFL-PSASIEDQSA-N 1 0 377.260 1.107 20 0 GDADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c1 ZINC000903538537 659333257 /nfs/dbraw/zinc/33/32/57/659333257.db2.gz WOEFNDAERRBFPA-UHFFFAOYSA-N 1 0 390.889 1.563 20 0 GDADRO COCCN(C(C)=O)c1nc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cs1 ZINC000903541196 659334279 /nfs/dbraw/zinc/33/42/79/659334279.db2.gz SZHBEBGEEPUOAE-STQMWFEESA-N 1 0 380.436 1.854 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Br)s1 ZINC000903546859 659336607 /nfs/dbraw/zinc/33/66/07/659336607.db2.gz AXPSUFFDXXKSND-SNVBAGLBSA-N 1 0 395.344 1.948 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)NCC[C@@H]3C[NH2+]C[C@H]3C)c(Cl)cc21 ZINC000903549084 659337839 /nfs/dbraw/zinc/33/78/39/659337839.db2.gz WHAFAXDMRMOWTD-BXUZGUMPSA-N 1 0 385.917 1.773 20 0 GDADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CC[NH2+]CCC12CCOCC2 ZINC000903550236 659337909 /nfs/dbraw/zinc/33/79/09/659337909.db2.gz XJDPRBYPFOBJLY-UHFFFAOYSA-N 1 0 384.889 1.750 20 0 GDADRO Cc1nc(S(=O)(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)sc1C ZINC000903561771 659341505 /nfs/dbraw/zinc/34/15/05/659341505.db2.gz MLVHKBWMKZBRMS-UHFFFAOYSA-N 1 0 380.539 1.644 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1Br ZINC000903563884 659341989 /nfs/dbraw/zinc/34/19/89/659341989.db2.gz KWMTULRJKLQVIZ-BIGNPOOSSA-N 1 0 388.287 1.579 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)NC[C@H]1CCCCC[NH2+]1)C(F)(F)F ZINC000903565278 659343034 /nfs/dbraw/zinc/34/30/34/659343034.db2.gz UDKNPJBDBNKITO-LLVKDONJSA-N 1 0 379.404 1.998 20 0 GDADRO CCOC(=O)Cc1cccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903573252 659345553 /nfs/dbraw/zinc/34/55/53/659345553.db2.gz TUQBYALEKVLXOR-CHWSQXEVSA-N 1 0 380.388 1.302 20 0 GDADRO Cn1c(Cl)ncc1S(=O)(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903573743 659346035 /nfs/dbraw/zinc/34/60/35/659346035.db2.gz LONORGDTRXPQRU-LRDDRELGSA-N 1 0 382.873 1.608 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(I)s1)C2 ZINC000903576151 659347379 /nfs/dbraw/zinc/34/73/79/659347379.db2.gz HZRBVSRMIVBEHR-YIZRAAEISA-N 1 0 398.291 1.853 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnn(C3CCOCC3)c2)CC[C@H]1C(F)(F)F ZINC000903578358 659349451 /nfs/dbraw/zinc/34/94/51/659349451.db2.gz GLTWMMYVMFFLEO-CHWSQXEVSA-N 1 0 382.408 1.135 20 0 GDADRO COC(=O)c1c(F)cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903578612 659349460 /nfs/dbraw/zinc/34/94/60/659349460.db2.gz INQOPJLEFQEKBC-SCZZXKLOSA-N 1 0 384.351 1.513 20 0 GDADRO COC(=O)Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903579379 659350225 /nfs/dbraw/zinc/35/02/25/659350225.db2.gz NVTJPFDMTULBRQ-STQMWFEESA-N 1 0 380.388 1.302 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903580097 659350743 /nfs/dbraw/zinc/35/07/43/659350743.db2.gz RZJYLVVNTNXMJV-KBPBESRZSA-N 1 0 382.404 1.612 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(F)c1 ZINC000903580007 659350798 /nfs/dbraw/zinc/35/07/98/659350798.db2.gz RPPFBBMYGWFTGK-ZYHUDNBSSA-N 1 0 383.367 1.684 20 0 GDADRO COC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1C ZINC000903580587 659351576 /nfs/dbraw/zinc/35/15/76/659351576.db2.gz VYHDEKVUHBRKBJ-NEPJUHHUSA-N 1 0 380.388 1.682 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1ccc(I)s1 ZINC000903582990 659352837 /nfs/dbraw/zinc/35/28/37/659352837.db2.gz ANHHCLZHXDABND-LDYMZIIASA-N 1 0 398.291 1.855 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H]4CC[C@@]43C[NH3+])c(Cl)cc21 ZINC000903584678 659353667 /nfs/dbraw/zinc/35/36/67/659353667.db2.gz LFXKVOPRNKKYOT-CXAGYDPISA-N 1 0 383.901 1.751 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000903586719 659354499 /nfs/dbraw/zinc/35/44/99/659354499.db2.gz VRRGCQHTEHZCTF-GXFFZTMASA-N 1 0 398.428 1.482 20 0 GDADRO CC1(C)CN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C[C@@H]1[NH3+] ZINC000903587563 659355079 /nfs/dbraw/zinc/35/50/79/659355079.db2.gz WWENFUBLCYGMEU-ZDUSSCGKSA-N 1 0 391.287 1.677 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000903590941 659356638 /nfs/dbraw/zinc/35/66/38/659356638.db2.gz DQTQXQOCGAIQSF-UHFFFAOYSA-N 1 0 377.894 1.926 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2)C(F)F ZINC000903593108 659357107 /nfs/dbraw/zinc/35/71/07/659357107.db2.gz JXVXFEDJXWLDMA-AWEZNQCLSA-N 1 0 380.438 1.200 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(Cl)c(NS(=O)(=O)CC2(F)CC2)c1 ZINC000903640727 659366276 /nfs/dbraw/zinc/36/62/76/659366276.db2.gz CNZHXKXCBBIMIV-UHFFFAOYSA-N 1 0 377.869 1.875 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCc3cc(Cl)ccc3C2)C[C@H]1C(F)(F)F ZINC000903741300 659378279 /nfs/dbraw/zinc/37/82/79/659378279.db2.gz CWMIWBYJHVWOJX-CHWSQXEVSA-N 1 0 375.778 1.573 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CN2CCNC(=O)[C@@H]2c2ccc(I)cc2)C1 ZINC000903825977 659382627 /nfs/dbraw/zinc/38/26/27/659382627.db2.gz GSWDAOWPEAFLRQ-GLQYFDAESA-N 1 0 399.276 1.892 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000903836620 659383255 /nfs/dbraw/zinc/38/32/55/659383255.db2.gz QCRVJVYLZPIOHI-AWEZNQCLSA-N 1 0 391.331 1.533 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000903970332 659391779 /nfs/dbraw/zinc/39/17/79/659391779.db2.gz VNKVSILYLHZVQU-LLVKDONJSA-N 1 0 381.723 1.969 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3ccccc3Br)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904106532 659395269 /nfs/dbraw/zinc/39/52/69/659395269.db2.gz WATQMAVKKGQQGT-UFGOTCBOSA-N 1 0 398.282 1.674 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc(I)c1 ZINC000904276636 659398526 /nfs/dbraw/zinc/39/85/26/659398526.db2.gz VIBPZTZVVVQYCH-LBPRGKRZSA-N 1 0 375.210 1.743 20 0 GDADRO COc1nc(N2CCN(C[C@]3(C)CCC[NH2+]C3)CC2)ncc1Br ZINC000904338033 659399105 /nfs/dbraw/zinc/39/91/05/659399105.db2.gz LKCGJACUTXHKKY-MRXNPFEDSA-N 1 0 384.322 1.759 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000904406439 659400202 /nfs/dbraw/zinc/40/02/02/659400202.db2.gz VEFDSFBPLGWZHR-LLVKDONJSA-N 1 0 377.413 1.480 20 0 GDADRO CNC(=O)c1cccc(NC(=O)N2CC[NH2+]C[C@@H]2CCOC)c1Br ZINC000904473202 659402082 /nfs/dbraw/zinc/40/20/82/659402082.db2.gz PFYYZYSCALZZSG-NSHDSACASA-N 1 0 399.289 1.651 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905009731 659416822 /nfs/dbraw/zinc/41/68/22/659416822.db2.gz REFYRDHHOXTUCG-RDTXWAMCSA-N 1 0 394.313 1.790 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)s1 ZINC000905024309 659417638 /nfs/dbraw/zinc/41/76/38/659417638.db2.gz KLWIHASUUILMSL-GDBMZVCRSA-N 1 0 384.523 1.621 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)C[C@@]1(O)CCOC1 ZINC000905094788 659422789 /nfs/dbraw/zinc/42/27/89/659422789.db2.gz BLJRTRIONFEDQI-PVAVHDDUSA-N 1 0 385.302 1.520 20 0 GDADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)C1(O)CCOCC1 ZINC000905099128 659423692 /nfs/dbraw/zinc/42/36/92/659423692.db2.gz YOFMUWOJLSQMNI-HOCLYGCPSA-N 1 0 385.302 1.520 20 0 GDADRO CN(CC[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)S(=O)(=O)c1cccs1 ZINC000905178438 659429728 /nfs/dbraw/zinc/42/97/28/659429728.db2.gz WNICYPQCVABNDA-HOTGVXAUSA-N 1 0 384.523 1.443 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]Cc2ccc(Cl)cn2)CCC1 ZINC000905204446 659432603 /nfs/dbraw/zinc/43/26/03/659432603.db2.gz ZODARNAWEYZCSW-CQSZACIVSA-N 1 0 375.922 1.826 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)C2(O)CCCC2)cc1C(F)(F)F ZINC000905237743 659435725 /nfs/dbraw/zinc/43/57/25/659435725.db2.gz KYINCMAHFRFRPO-CQSZACIVSA-N 1 0 381.416 1.865 20 0 GDADRO CCCN1CCC[C@H]1C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905258478 659437921 /nfs/dbraw/zinc/43/79/21/659437921.db2.gz WUDYHKFAIAJGMV-HOTGVXAUSA-N 1 0 375.579 1.452 20 0 GDADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)c1 ZINC000905285064 659439544 /nfs/dbraw/zinc/43/95/44/659439544.db2.gz FOIJZAVTDRWSRA-HOCLYGCPSA-N 1 0 377.890 1.126 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000905338323 659444037 /nfs/dbraw/zinc/44/40/37/659444037.db2.gz FLDZCDOUIORSHR-LBPRGKRZSA-N 1 0 397.324 1.652 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000905353690 659445788 /nfs/dbraw/zinc/44/57/88/659445788.db2.gz LESCFMIEBMPKLD-INIZCTEOSA-N 1 0 386.539 1.660 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N[C@@H]3CC[NH2+]C34CCCC4)cc2C1 ZINC000905352188 659445793 /nfs/dbraw/zinc/44/57/93/659445793.db2.gz RMFJFBBKPPDEJG-OAHLLOKOSA-N 1 0 383.539 1.606 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2(C)C)s1 ZINC000905353970 659446129 /nfs/dbraw/zinc/44/61/29/659446129.db2.gz MYJPXXXMKLQLHF-CYBMUJFWSA-N 1 0 387.571 1.872 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000905359420 659446992 /nfs/dbraw/zinc/44/69/92/659446992.db2.gz UVPUEKPPBHCBDP-GFCCVEGCSA-N 1 0 391.287 1.655 20 0 GDADRO OC[C@H](C[NH2+]C[C@H](O)C[C@]1(O)CCOC1)Cc1ccc(Br)cc1 ZINC000905365271 659447850 /nfs/dbraw/zinc/44/78/50/659447850.db2.gz IOEJNNMWOXDAGU-USXIJHARSA-N 1 0 388.302 1.092 20 0 GDADRO CO[C@@H](C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CCCC1 ZINC000905380775 659450172 /nfs/dbraw/zinc/45/01/72/659450172.db2.gz JHHNKIKOJZLPTI-JKSUJKDBSA-N 1 0 376.563 1.783 20 0 GDADRO O[C@@H](C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1)COc1ccc(Cl)cc1Br ZINC000905464221 659455476 /nfs/dbraw/zinc/45/54/76/659455476.db2.gz DDKDVQBFZLMARC-XRRVDJEJSA-N 1 0 380.666 1.316 20 0 GDADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000905473385 659456086 /nfs/dbraw/zinc/45/60/86/659456086.db2.gz KPWGHHSTWYTZAR-JKIFEVAISA-N 1 0 376.519 1.161 20 0 GDADRO Cn1ccn2c(CC[NH2+]C[C@@H](O)c3ccc(Cl)cc3Cl)nnc2c1=O ZINC000905475257 659456469 /nfs/dbraw/zinc/45/64/69/659456469.db2.gz XIMTUDXVZOKAGD-CYBMUJFWSA-N 1 0 382.251 1.601 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000905483046 659457881 /nfs/dbraw/zinc/45/78/81/659457881.db2.gz XGIMGRKDQREOIX-HNNXBMFYSA-N 1 0 376.906 1.231 20 0 GDADRO CO[C@]1(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCSC1 ZINC000905546954 659464003 /nfs/dbraw/zinc/46/40/03/659464003.db2.gz QJIBYBOTQFYZDC-ZFWWWQNUSA-N 1 0 380.576 1.100 20 0 GDADRO CO[C@]1(C[NH2+]C[C@H](O)COCc2ccccc2Cl)CCS(=O)(=O)C1 ZINC000905559059 659465339 /nfs/dbraw/zinc/46/53/39/659465339.db2.gz UXICXLGYRMCHSD-HOCLYGCPSA-N 1 0 377.890 1.011 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@H](O)c2ccc(Br)cc2)CCS(=O)(=O)C1 ZINC000905559825 659465764 /nfs/dbraw/zinc/46/57/64/659465764.db2.gz ZSYOVCQLOKCGAW-UONOGXRCSA-N 1 0 378.288 1.276 20 0 GDADRO O=S(=O)(CC[NH2+]CC1CC2(C1)OCCO2)c1cccc(Br)c1 ZINC000905589080 659467081 /nfs/dbraw/zinc/46/70/81/659467081.db2.gz ABIGBWFCYKNACQ-UHFFFAOYSA-N 1 0 390.299 1.966 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1Cn1cnc2c(I)cc(F)cc2c1=O ZINC000905734513 659479595 /nfs/dbraw/zinc/47/95/95/659479595.db2.gz KSCAFWCZCZFAOR-BDAKNGLRSA-N 1 0 387.196 1.996 20 0 GDADRO Cn1nc(C(F)(F)F)c(Cn2cc(CN3CCC([NH3+])CC3)nn2)c1Cl ZINC000905806853 659483776 /nfs/dbraw/zinc/48/37/76/659483776.db2.gz GXDJUIHDBMXKIW-UHFFFAOYSA-N 1 0 377.802 1.655 20 0 GDADRO [NH3+][C@H](c1cn(C[C@@H](O)C2(O)CCCC2)nn1)c1ccc(Br)cc1 ZINC000905820723 659484985 /nfs/dbraw/zinc/48/49/85/659484985.db2.gz XHCXVAHAODNXHQ-CABCVRRESA-N 1 0 381.274 1.755 20 0 GDADRO C[NH+](C)CCn1nccc1NS(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000906068492 659516804 /nfs/dbraw/zinc/51/68/04/659516804.db2.gz ZJEJNUUWGSUXJT-QHCPKHFHSA-N 1 0 377.536 1.532 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000906072158 659517723 /nfs/dbraw/zinc/51/77/23/659517723.db2.gz LATUKBCJBJJBGG-GYCJOSAFSA-N 1 0 386.543 1.745 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906428221 659539494 /nfs/dbraw/zinc/53/94/94/659539494.db2.gz GZNHDUFHERYEIT-GFCCVEGCSA-N 1 0 395.718 1.571 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1nscc1I ZINC000906615813 659561286 /nfs/dbraw/zinc/56/12/86/659561286.db2.gz JQFPHGLTACHINX-SECBINFHSA-N 1 0 377.251 1.962 20 0 GDADRO CC[NH+](CC)CCCCNC(=O)c1cn(C)nc1I ZINC000906673234 659568073 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378.420 1.157 20 0 GDADRO Cc1csc([C@H](C)CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)n1 ZINC000911159059 659996918 /nfs/dbraw/zinc/99/69/18/659996918.db2.gz UPZQIIGXQSYHKJ-DVVUODLYSA-N 1 0 378.420 1.409 20 0 GDADRO CC[NH+]1CCC(N2CCCN(C(=O)CN3CSCCSC3)CC2)CC1 ZINC000911191081 659998126 /nfs/dbraw/zinc/99/81/26/659998126.db2.gz YGPXRNHJNWWCJN-UHFFFAOYSA-N 1 0 386.631 1.702 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1)C1CC1 ZINC000911272907 660001304 /nfs/dbraw/zinc/00/13/04/660001304.db2.gz FWVOXVCROZVLMX-UONOGXRCSA-N 1 0 381.274 1.361 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000911282824 660001767 /nfs/dbraw/zinc/00/17/67/660001767.db2.gz BVWFEJCEGWOEPM-DOMZBBRYSA-N 1 0 395.301 1.623 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000911302205 660002606 /nfs/dbraw/zinc/00/26/06/660002606.db2.gz HETBZCONJCMGJF-XHDPSFHLSA-N 1 0 382.302 1.530 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 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COc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ccc1Cl ZINC001164797750 721517537 /nfs/dbraw/zinc/51/75/37/721517537.db2.gz MIGPMJROXIBFFN-UHFFFAOYSA-N 1 0 376.892 1.708 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccco4)nn2)CC3)CC1 ZINC001164795646 721520115 /nfs/dbraw/zinc/52/01/15/721520115.db2.gz QCJWIMPZAHHOCH-UHFFFAOYSA-N 1 0 379.468 1.701 20 0 GDADRO CCCNC(=O)c1cccnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010293 721745132 /nfs/dbraw/zinc/74/51/32/721745132.db2.gz LJFNLJBVIFDWNZ-UHFFFAOYSA-N 1 0 387.528 1.744 20 0 GDADRO COc1cc[nH+]c(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)c1 ZINC001164919555 721823191 /nfs/dbraw/zinc/82/31/91/721823191.db2.gz SPIJJWKJTIOPAB-LJQANCHMSA-N 1 0 390.509 1.963 20 0 GDADRO COCCN1CCO[C@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@H]2C1=O ZINC001164921108 721844893 /nfs/dbraw/zinc/84/48/93/721844893.db2.gz MPJVPPDKYBTXRY-MOPGFXCFSA-N 1 0 388.512 1.378 20 0 GDADRO O=C(c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1)N1CCS(=O)(=O)CC1 ZINC000276114589 721861200 /nfs/dbraw/zinc/86/12/00/721861200.db2.gz WLCREDBYBLKZEJ-UHFFFAOYSA-N 1 0 392.525 1.017 20 0 GDADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164924779 721873940 /nfs/dbraw/zinc/87/39/40/721873940.db2.gz LKOQDHVWBUQJFT-IFOCYFHOSA-N 1 0 383.496 1.964 20 0 GDADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)C1=O ZINC001164926191 721875566 /nfs/dbraw/zinc/87/55/66/721875566.db2.gz QSOWNCOHMYQQJM-GJZGRUSLSA-N 1 0 392.935 1.709 20 0 GDADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)cc1C(N)=O ZINC001164923735 721876205 /nfs/dbraw/zinc/87/62/05/721876205.db2.gz KBQVUXRCXZRHAF-ZIAGYGMSSA-N 1 0 387.862 1.593 20 0 GDADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164946766 721976437 /nfs/dbraw/zinc/97/64/37/721976437.db2.gz KSUAVQFRAGFYFA-UHFFFAOYSA-N 1 0 392.507 1.093 20 0 GDADRO COC(=O)c1cc2cnc(N3CC[NH+](CCc4ccccn4)CC3)nc2n1C ZINC001165055030 722016592 /nfs/dbraw/zinc/01/65/92/722016592.db2.gz AMBODPROZOSYTP-UHFFFAOYSA-N 1 0 380.452 1.515 20 0 GDADRO CCOC(=O)N1CCc2nnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)cc2C1 ZINC001164967150 722075741 /nfs/dbraw/zinc/07/57/41/722075741.db2.gz LLFRORRCIRHGJJ-CALCHBBNSA-N 1 0 387.484 1.291 20 0 GDADRO COC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cn1 ZINC001164975451 722100302 /nfs/dbraw/zinc/10/03/02/722100302.db2.gz BQIINXOZYVDJDB-FUHWJXTLSA-N 1 0 383.452 1.386 20 0 GDADRO CCOC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164980033 722105342 /nfs/dbraw/zinc/10/53/42/722105342.db2.gz JBTUXSJMJGGKQZ-HKUYNNGSSA-N 1 0 397.479 1.776 20 0 GDADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ncc5c(n4)CCCN5)CC[C@H]3C2)c1 ZINC001164973957 722117338 /nfs/dbraw/zinc/11/73/38/722117338.db2.gz IEMVINNMTBBBOR-FXAWDEMLSA-N 1 0 380.496 1.957 20 0 GDADRO CCn1cnc2c1ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978951 722142734 /nfs/dbraw/zinc/14/27/34/722142734.db2.gz LETUXLYRUPSNTF-QZTJIDSGSA-N 1 0 393.495 1.969 20 0 GDADRO CCOC(=O)c1nccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985468 722145877 /nfs/dbraw/zinc/14/58/77/722145877.db2.gz ZPFASMWIZMCIKE-ZWKOTPCHSA-N 1 0 397.479 1.776 20 0 GDADRO C[NH+](C)Cc1ccnc(-n2c([C@@H]3COCCN3)nccc2=NCc2ccco2)c1 ZINC001164982941 722173227 /nfs/dbraw/zinc/17/32/27/722173227.db2.gz AGFKDOSUKYFFSN-SFHVURJKSA-N 1 0 394.479 1.684 20 0 GDADRO O=C(CC[N@H+]1CC[C@H](CCO)C1)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000737837441 945134847 /nfs/dbraw/zinc/13/48/47/945134847.db2.gz HCNFQHQTTJCIND-GFCCVEGCSA-N 1 0 390.513 1.840 20 0 GDADRO O=C(CC[N@H+]1CCC[C@H](CCO)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737844368 945136990 /nfs/dbraw/zinc/13/69/90/945136990.db2.gz STIPGILQROVULK-GFCCVEGCSA-N 1 0 378.864 1.943 20 0 GDADRO CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735857005 944705372 /nfs/dbraw/zinc/70/53/72/944705372.db2.gz OMILYBUHLCVQJP-UHFFFAOYSA-N 1 0 385.516 1.535 20 0 GDADRO C[NH+](C)Cc1cccc(C(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000736772341 944887915 /nfs/dbraw/zinc/88/79/15/944887915.db2.gz ZKILRDAEWUSNRX-UHFFFAOYSA-N 1 0 391.479 1.891 20 0 GDADRO COCC[N@@H+]1CCCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737002410 944928711 /nfs/dbraw/zinc/92/87/11/944928711.db2.gz AKANVCULPTYZSA-UHFFFAOYSA-N 1 0 376.486 1.140 20 0 GDADRO CC(C)(O)CC(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571263352 945455841 /nfs/dbraw/zinc/45/58/41/945455841.db2.gz NKZWXKVTFFTNMR-IBGZPJMESA-N 1 0 385.472 1.242 20 0 GDADRO C[C@@H](C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001571263337 945456168 /nfs/dbraw/zinc/45/61/68/945456168.db2.gz NFLJPZOSMSQCRW-CJNGLKHVSA-N 1 0 385.472 1.292 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571263818 945467992 /nfs/dbraw/zinc/46/79/92/945467992.db2.gz BPNKIVCKXRZXSC-VBQJREDUSA-N 1 0 385.472 1.504 20 0 GDADRO Cc1cc(N2CCN(C(=O)C[C@@H](C)[C@H]3CCCO3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264083 945475733 /nfs/dbraw/zinc/47/57/33/945475733.db2.gz FTNUYBUICINJTN-CXAGYDPISA-N 1 0 385.472 1.424 20 0 GDADRO C[C@H]1CN(C(=O)CCC2CCOCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571264532 945485496 /nfs/dbraw/zinc/48/54/96/945485496.db2.gz QSABMRLJXRCZPV-GUYCJALGSA-N 1 0 385.472 1.149 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571264888 945495495 /nfs/dbraw/zinc/49/54/95/945495495.db2.gz ZQVQMSIHWSNWSM-CPUCHLNUSA-N 1 0 385.472 1.210 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c(C)n1C ZINC001571264922 945495541 /nfs/dbraw/zinc/49/55/41/945495541.db2.gz APHHIWIINRBFEK-CYBMUJFWSA-N 1 0 385.497 1.888 20 0 GDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000820722800 945536341 /nfs/dbraw/zinc/53/63/41/945536341.db2.gz OXRPNRUVKCWRTE-OAHLLOKOSA-N 1 0 377.452 1.998 20 0 GDADRO CCc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cs1 ZINC001571271546 945644598 /nfs/dbraw/zinc/64/45/98/945644598.db2.gz DBPBGTPMXIRGFQ-UMSPYCQHSA-N 1 0 386.485 1.512 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)[C@H]1C ZINC001571271577 945644782 /nfs/dbraw/zinc/64/47/82/945644782.db2.gz DTTLNNJVHSPDSJ-SMDDNHRTSA-N 1 0 386.485 1.743 20 0 GDADRO Cc1nsc(C)c1C[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571271707 945647937 /nfs/dbraw/zinc/64/79/37/945647937.db2.gz HXGYSPMACZNPSO-CYBMUJFWSA-N 1 0 386.485 1.663 20 0 GDADRO Cc1nc(C)c(C[NH+]2CCC(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)s1 ZINC001571272043 945654254 /nfs/dbraw/zinc/65/42/54/945654254.db2.gz NOCLVIIROBRODM-UHFFFAOYSA-N 1 0 386.485 1.663 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[N@@H+]1CCc1ccns1 ZINC001571272125 945656397 /nfs/dbraw/zinc/65/63/97/945656397.db2.gz PZGKOTUEXOWTGE-VXGBXAGGSA-N 1 0 386.485 1.477 20 0 GDADRO Cc1cn(C)nc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272468 945663542 /nfs/dbraw/zinc/66/35/42/945663542.db2.gz TWNSUMFMMLOPMG-TXEJJXNPSA-N 1 0 386.485 1.268 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC001571274605 945698682 /nfs/dbraw/zinc/69/86/82/945698682.db2.gz IRUCOGFFMKOUCA-CYBMUJFWSA-N 1 0 386.847 1.638 20 0 GDADRO CCc1ocnc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C ZINC001571281365 945803492 /nfs/dbraw/zinc/80/34/92/945803492.db2.gz HEXPISZURUKCPD-GHMZBOCLSA-N 1 0 387.469 1.871 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001571282271 945836185 /nfs/dbraw/zinc/83/61/85/945836185.db2.gz FSARJLYZCPTWMF-SQWLQELKSA-N 1 0 387.463 1.574 20 0 GDADRO O=C(c1cncc(F)c1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571282561 945849598 /nfs/dbraw/zinc/84/95/98/945849598.db2.gz KPTMXYRZZWXYNL-ZDUSSCGKSA-N 1 0 387.444 1.857 20 0 GDADRO O=C(NCC1CC[NH+](CCC[C@H]2CCOC2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571283189 945881846 /nfs/dbraw/zinc/88/18/46/945881846.db2.gz BDYBOEXQWYWIRE-HNNXBMFYSA-N 1 0 387.488 1.453 20 0 GDADRO CCOC1CC(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2(C)C)C1 ZINC001571283326 945884536 /nfs/dbraw/zinc/88/45/36/945884536.db2.gz CQNBVHWDJVQARY-LDZOIKDWSA-N 1 0 387.488 1.450 20 0 GDADRO O=C(NCC1CC([NH2+]C[C@@H](O)C2CCCCC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571283440 945886080 /nfs/dbraw/zinc/88/60/80/945886080.db2.gz FYYYPRKHXKEWHT-MKTAYPAQSA-N 1 0 387.488 1.234 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](CC2CCCCCC2)C[C@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571284552 945902831 /nfs/dbraw/zinc/90/28/31/945902831.db2.gz QVEDOXRQYWOWIB-NVXWUHKLSA-N 1 0 387.488 1.330 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC([C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001571284585 945903564 /nfs/dbraw/zinc/90/35/64/945903564.db2.gz RFGURUPGOMBGMF-HNNXBMFYSA-N 1 0 387.488 1.141 20 0 GDADRO Cc1[nH]nc(Cl)c1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571284879 945906790 /nfs/dbraw/zinc/90/67/90/945906790.db2.gz VMKKNPPNSNKZIF-SNVBAGLBSA-N 1 0 387.835 1.004 20 0 GDADRO CC[N@H+](CCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1)C(C)C ZINC001571284902 945908422 /nfs/dbraw/zinc/90/84/22/945908422.db2.gz WHFTVZZSBSBYGK-UHFFFAOYSA-N 1 0 387.488 1.822 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC001571284941 945909213 /nfs/dbraw/zinc/90/92/13/945909213.db2.gz XFMDIHDLVVEAPA-CSMYWGQOSA-N 1 0 387.488 1.186 20 0 GDADRO O=C(c1n[nH]cc1F)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571286122 945937436 /nfs/dbraw/zinc/93/74/36/945937436.db2.gz YPKVFWVMAHTFME-GFCCVEGCSA-N 1 0 388.382 1.262 20 0 GDADRO O=C([C@@H]1CC1(F)F)N1CCC2(C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001571286193 945940037 /nfs/dbraw/zinc/94/00/37/945940037.db2.gz AKRUZPFLZZQGDQ-HNNXBMFYSA-N 1 0 388.422 1.946 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)[C@H]1CC[C@H](F)C1 ZINC001571286320 945945604 /nfs/dbraw/zinc/94/56/04/945945604.db2.gz DOYKTTAPVIKLNS-AORAQPTISA-N 1 0 388.422 1.690 20 0 GDADRO O=C(N[C@H]1CC12CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2)[C@H]1CC1(F)F ZINC001571286966 945965355 /nfs/dbraw/zinc/96/53/55/945965355.db2.gz WWTBLDCAEFVFEZ-CABCVRRESA-N 1 0 388.422 1.993 20 0 GDADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C1CCC(F)CC1 ZINC001571287606 945976217 /nfs/dbraw/zinc/97/62/17/945976217.db2.gz FZBUKPNTLIEFSC-TVGUXLQWSA-N 1 0 388.447 1.056 20 0 GDADRO COC1CC(C(=O)N[C@]2(C)CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571287849 945981128 /nfs/dbraw/zinc/98/11/28/945981128.db2.gz JKYQCCQLMXVLOJ-UZABCXPZSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(C1CCOCC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571288569 945989895 /nfs/dbraw/zinc/98/98/95/945989895.db2.gz QQMBJTQMJGJPFD-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO O=C([C@H]1CCCCO1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288682 945991525 /nfs/dbraw/zinc/99/15/25/945991525.db2.gz RFESNTRJUDZJHT-RHSMWYFYSA-N 1 0 388.447 1.656 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCOC2)CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571288748 945993551 /nfs/dbraw/zinc/99/35/51/945993551.db2.gz STCHUAJUJQWXGA-GFJSAUFNSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC001571289245 945998347 /nfs/dbraw/zinc/99/83/47/945998347.db2.gz XZVRMUXTTSWPGV-ISTRZQFTSA-N 1 0 388.447 1.511 20 0 GDADRO COc1cc(C[NH2+][C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)sn1 ZINC001571289476 946006141 /nfs/dbraw/zinc/00/61/41/946006141.db2.gz FPJLDPBCCYYPFF-NSHDSACASA-N 1 0 388.457 1.054 20 0 GDADRO C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1Nc1ncc(-c2nn[nH]n2)cc1F ZINC001571289896 946022873 /nfs/dbraw/zinc/02/28/73/946022873.db2.gz PGXPLOOHGDUBOE-FZMZJTMJSA-N 1 0 388.451 1.144 20 0 GDADRO O=C(N[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2)C1CC(F)(F)C1 ZINC001571292387 946095539 /nfs/dbraw/zinc/09/55/39/946095539.db2.gz YRQYQNHCHKVBQK-ZIAGYGMSSA-N 1 0 389.410 1.568 20 0 GDADRO CCOc1nc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571293935 946120979 /nfs/dbraw/zinc/12/09/79/946120979.db2.gz WNAQAYVBLZZEBF-JTQLQIEISA-N 1 0 389.441 1.319 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000822610043 946137790 /nfs/dbraw/zinc/13/77/90/946137790.db2.gz ZUZARIFXSKNCRL-UHFFFAOYSA-N 1 0 387.492 1.720 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001571294557 946138023 /nfs/dbraw/zinc/13/80/23/946138023.db2.gz JFNSMZKQFQSJJQ-LBPRGKRZSA-N 1 0 389.822 1.992 20 0 GDADRO CC(=O)N[C@H](C)C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573478527 946148267 /nfs/dbraw/zinc/14/82/67/946148267.db2.gz XBSCWGKKLSTPEO-WBMJQRKESA-N 1 0 387.488 1.012 20 0 GDADRO CN(C(=O)Cc1cncs1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295248 946156626 /nfs/dbraw/zinc/15/66/26/946156626.db2.gz QZIKHUMWQXUPAV-NSHDSACASA-N 1 0 389.510 1.660 20 0 GDADRO O=C(C1C=CC=CC=C1)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571295496 946167587 /nfs/dbraw/zinc/16/75/87/946167587.db2.gz VIUGFPWQYLDIMC-OAQYLSRUSA-N 1 0 389.463 1.989 20 0 GDADRO C[C@H]1CN(C(=O)CC(C)(C)O)CC[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571297936 946200519 /nfs/dbraw/zinc/20/05/19/946200519.db2.gz DUNJARZARZQKOM-LRDDRELGSA-N 1 0 390.463 1.493 20 0 GDADRO O=C(C1=COCCO1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571297904 946201425 /nfs/dbraw/zinc/20/14/25/946201425.db2.gz CQHHEWWOBZDOKV-GFCCVEGCSA-N 1 0 390.469 1.145 20 0 GDADRO CC[C@H](OC)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571298308 946213811 /nfs/dbraw/zinc/21/38/11/946213811.db2.gz NERDDNRSRXVPAO-GUYCJALGSA-N 1 0 390.463 1.711 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001571298599 946220717 /nfs/dbraw/zinc/22/07/17/946220717.db2.gz BJUUSYFCXVYYRP-RDTXWAMCSA-N 1 0 390.513 1.681 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571298914 946232521 /nfs/dbraw/zinc/23/25/21/946232521.db2.gz GHFJICZJXBPBEL-SMDDNHRTSA-N 1 0 390.879 1.270 20 0 GDADRO Cc1cc(N[C@H]2C[C@H](NC(=O)c3cccnc3C3CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571299209 946242554 /nfs/dbraw/zinc/24/25/54/946242554.db2.gz PCEFNFZUFZCSED-HDJSIYSDSA-N 1 0 390.451 1.637 20 0 GDADRO Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571299277 946246856 /nfs/dbraw/zinc/24/68/56/946246856.db2.gz KDXQVCSMTIROHM-QWHCGFSZSA-N 1 0 390.517 1.376 20 0 GDADRO O=C(CC[C@H]1CCCO1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299914 946266632 /nfs/dbraw/zinc/26/66/32/946266632.db2.gz QVJYJGMUGJAODH-ZIAGYGMSSA-N 1 0 390.513 1.968 20 0 GDADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1ccccc1-c1nn[nH]n1 ZINC001571299951 946268261 /nfs/dbraw/zinc/26/82/61/946268261.db2.gz RSRNUSHCTXXRGE-OAHLLOKOSA-N 1 0 390.513 1.942 20 0 GDADRO O=C(CC1CCOCC1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571300335 946279947 /nfs/dbraw/zinc/27/99/47/946279947.db2.gz ZZGIVAJOIGMMEE-AWEZNQCLSA-N 1 0 390.513 1.826 20 0 GDADRO CC(=O)N[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC2(CCOCC2)C1 ZINC001573498125 946357801 /nfs/dbraw/zinc/35/78/01/946357801.db2.gz XQGRPPZKMUGUKH-CYBMUJFWSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)CCc1cccnc1 ZINC001571306492 946402686 /nfs/dbraw/zinc/40/26/86/946402686.db2.gz LYKWYKJIJOGHFW-HNAYVOBHSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)CCc1cccnc1 ZINC001571306491 946403119 /nfs/dbraw/zinc/40/31/19/946403119.db2.gz LYKWYKJIJOGHFW-DNVCBOLYSA-N 1 0 391.479 1.974 20 0 GDADRO O=C(c1ccccc1)N1CCCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571310505 946473041 /nfs/dbraw/zinc/47/30/41/946473041.db2.gz HTYLESBUSIKMEO-LJQANCHMSA-N 1 0 392.463 1.888 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)c1cn2c(n1)CCC2 ZINC001571312806 946502114 /nfs/dbraw/zinc/50/21/14/946502114.db2.gz DELXTHXIAVUMHZ-ZFWWWQNUSA-N 1 0 392.467 1.402 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)c(C)nn1 ZINC001571315676 946557676 /nfs/dbraw/zinc/55/76/76/946557676.db2.gz NUVWKSNOYFJUST-KDOFPFPSSA-N 1 0 392.467 1.666 20 0 GDADRO Cc1cc(NC[C@@H]2CCCN2C(=O)Cc2cnccc2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316236 946568159 /nfs/dbraw/zinc/56/81/59/946568159.db2.gz XBFQLSAERHVTBG-INIZCTEOSA-N 1 0 392.467 1.341 20 0 GDADRO O=C(NC1(C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1)c1ncc[nH]1 ZINC001571316379 946573278 /nfs/dbraw/zinc/57/32/78/946573278.db2.gz BEOFAUMEVIMBSS-UHFFFAOYSA-N 1 0 392.467 1.764 20 0 GDADRO Cc1nccc(C(=O)N2C[C@H](C)[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571316387 946574877 /nfs/dbraw/zinc/57/48/77/946574877.db2.gz BFHPMKYDMFHTJE-SUMWQHHRSA-N 1 0 392.467 1.463 20 0 GDADRO O=C([C@@H]1CCc2n[nH]cc2C1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571316442 946576563 /nfs/dbraw/zinc/57/65/63/946576563.db2.gz CQCSHDSSIGMSQL-CZUORRHYSA-N 1 0 392.467 1.085 20 0 GDADRO O=C(Cc1c[nH]cn1)N[C@@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nn[nH]n1)CC2 ZINC001571316399 946577571 /nfs/dbraw/zinc/57/75/71/946577571.db2.gz BJIKKLGFUZCLHV-YLJYHZDGSA-N 1 0 392.467 1.446 20 0 GDADRO Cc1cncc(CC(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571316583 946581723 /nfs/dbraw/zinc/58/17/23/946581723.db2.gz HDUIUZACTIYAGN-MRXNPFEDSA-N 1 0 392.467 1.601 20 0 GDADRO Cc1cncc(C[N@@H+]2CC[C@]3(CCN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C3)C2)c1 ZINC001571316557 946581958 /nfs/dbraw/zinc/58/19/58/946581958.db2.gz GHDWMCFJDWAOJW-FQEVSTJZSA-N 1 0 392.467 1.636 20 0 GDADRO Cn1cncc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571316989 946595267 /nfs/dbraw/zinc/59/52/67/946595267.db2.gz RHVKROZIYYJHAP-SJORKVTESA-N 1 0 392.467 1.479 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1c[nH]nc1C1CC1 ZINC001571317324 946606030 /nfs/dbraw/zinc/60/60/30/946606030.db2.gz CUJHIYVNESSLIZ-SAZUREKKSA-N 1 0 392.467 1.765 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)CC1OCCCO1 ZINC001571317437 946609664 /nfs/dbraw/zinc/60/96/64/946609664.db2.gz HNXFUXMZZLNZCR-VXGBXAGGSA-N 1 0 392.485 1.160 20 0 GDADRO O=C(c1cnc2n1CCC2)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571317558 946612955 /nfs/dbraw/zinc/61/29/55/946612955.db2.gz MPDDEMMQKKNXQE-HNNXBMFYSA-N 1 0 392.467 1.404 20 0 GDADRO O=C(c1ncc[nH]1)N1CCC[C@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571317649 946615675 /nfs/dbraw/zinc/61/56/75/946615675.db2.gz POWVYIJMVUKSGI-HXUWFJFHSA-N 1 0 392.467 1.718 20 0 GDADRO CC[C@H](C(=O)N1CCC[C@H](CNc2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571317728 946618594 /nfs/dbraw/zinc/61/85/94/946618594.db2.gz SSEQCSXGSHGKIB-CHWSQXEVSA-N 1 0 392.533 1.622 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573522415 946625558 /nfs/dbraw/zinc/62/55/58/946625558.db2.gz FJUDMDKETQLULB-OLZOCXBDSA-N 1 0 387.488 1.012 20 0 GDADRO Brc1ccc(-c2nn[nH]n2)c(N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC001573279362 946638927 /nfs/dbraw/zinc/63/89/27/946638927.db2.gz GQNCUTQUNJIPBI-LBPRGKRZSA-N 1 0 379.262 1.540 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC000824413375 946695579 /nfs/dbraw/zinc/69/55/79/946695579.db2.gz LEAOHOQDBBXKAP-AWEZNQCLSA-N 1 0 380.456 1.310 20 0 GDADRO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573538522 946767324 /nfs/dbraw/zinc/76/73/24/946767324.db2.gz VXWFIGQUCUKYPE-GUYCJALGSA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)Nc1cccc(C[NH2+][C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1 ZINC001573547260 946829904 /nfs/dbraw/zinc/82/99/04/946829904.db2.gz ZURHZKDQYRRWFC-LLVKDONJSA-N 1 0 382.428 1.061 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[nH]n1)c1ccsc1 ZINC000825407100 947177938 /nfs/dbraw/zinc/17/79/38/947177938.db2.gz YPZWSNDFCRYOEN-AWEZNQCLSA-N 1 0 389.485 1.966 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573586612 947290654 /nfs/dbraw/zinc/29/06/54/947290654.db2.gz RRZPJRDRCZKIKW-UONOGXRCSA-N 1 0 382.472 1.340 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)NCCSCc2ccccc2-c2nn[nH]n2)CC1 ZINC000826016312 947402138 /nfs/dbraw/zinc/40/21/38/947402138.db2.gz BULLIXWQWKEWOG-UHFFFAOYSA-N 1 0 387.513 1.661 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573598292 947442927 /nfs/dbraw/zinc/44/29/27/947442927.db2.gz PQYAMLAVEGFATN-PBHICJAKSA-N 1 0 380.456 1.357 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC001573599587 947458764 /nfs/dbraw/zinc/45/87/64/947458764.db2.gz YIODSYSAWLSXPL-CZUORRHYSA-N 1 0 384.440 1.172 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000826175625 947544392 /nfs/dbraw/zinc/54/43/92/947544392.db2.gz LGVWTAIJDHBXCD-CABCVRRESA-N 1 0 375.473 1.983 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573616109 947616606 /nfs/dbraw/zinc/61/66/06/947616606.db2.gz LNIMNVCSLUTUCQ-ZIAGYGMSSA-N 1 0 381.440 1.731 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573619229 947662622 /nfs/dbraw/zinc/66/26/22/947662622.db2.gz UZPVYFLMVHLLHQ-QAPCUYQASA-N 1 0 379.468 1.962 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573367633 947761548 /nfs/dbraw/zinc/76/15/48/947761548.db2.gz GDBYURCTUZTJIJ-HIFRSBDPSA-N 1 0 385.472 1.339 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)[C@H]1C ZINC001573372688 947783086 /nfs/dbraw/zinc/78/30/86/947783086.db2.gz CCLRSJRGPWDFLB-DYVFJYSZSA-N 1 0 388.447 1.844 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573632030 947806593 /nfs/dbraw/zinc/80/65/93/947806593.db2.gz YCXUPXSSAYRGOV-GOEBONIOSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)(F)F ZINC001573639668 947845753 /nfs/dbraw/zinc/84/57/53/947845753.db2.gz AYKREOCGCQAQHY-BXKDBHETSA-N 1 0 386.353 1.895 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001573380561 947861698 /nfs/dbraw/zinc/86/16/98/947861698.db2.gz FSETXBDYFYDVHT-MKZZRHPPSA-N 1 0 383.456 1.128 20 0 GDADRO CC(=O)CCCC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001573381257 947870380 /nfs/dbraw/zinc/87/03/80/947870380.db2.gz RSHCYMJAOJGFFU-UHFFFAOYSA-N 1 0 385.472 1.592 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573382826 947888467 /nfs/dbraw/zinc/88/84/67/947888467.db2.gz LAJJBUQKVQHMKD-AKAXFMLLSA-N 1 0 388.447 1.750 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573384204 947900936 /nfs/dbraw/zinc/90/09/36/947900936.db2.gz IWJGLXWUGWSCDV-JOCQHMNTSA-N 1 0 376.486 1.672 20 0 GDADRO C[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCOCC1)C1CC1 ZINC001573656166 947986061 /nfs/dbraw/zinc/98/60/61/947986061.db2.gz COUZUYVWIVKUHJ-CQSZACIVSA-N 1 0 384.484 1.668 20 0 GDADRO Cc1onc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826346235 948037535 /nfs/dbraw/zinc/03/75/35/948037535.db2.gz HEDABXMPFXQABC-HNNXBMFYSA-N 1 0 381.440 1.486 20 0 GDADRO Cc1onc(CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826347319 948053837 /nfs/dbraw/zinc/05/38/37/948053837.db2.gz MUKBYLBFRGKNDS-INIZCTEOSA-N 1 0 395.467 1.877 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573671363 948108215 /nfs/dbraw/zinc/10/82/15/948108215.db2.gz FHIPEPNDQOGOAA-KBXCAEBGSA-N 1 0 377.452 1.756 20 0 GDADRO Cn1cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360220 948118340 /nfs/dbraw/zinc/11/83/40/948118340.db2.gz BTXNGZURYZTESB-CQSZACIVSA-N 1 0 394.483 1.745 20 0 GDADRO C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccc1 ZINC001573679355 948161015 /nfs/dbraw/zinc/16/10/15/948161015.db2.gz IBYUHUGXIQSLPG-DOMZBBRYSA-N 1 0 385.497 1.975 20 0 GDADRO CC(C)[C@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573680686 948186331 /nfs/dbraw/zinc/18/63/31/948186331.db2.gz PQEHIMZZEWDHML-GUYCJALGSA-N 1 0 380.456 1.435 20 0 GDADRO CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573434175 948210565 /nfs/dbraw/zinc/21/05/65/948210565.db2.gz POXJTXRJMYDERO-RTBURBONSA-N 1 0 384.484 1.762 20 0 GDADRO CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573434477 948215775 /nfs/dbraw/zinc/21/57/75/948215775.db2.gz SEXPYNCBEYAMJU-RBUKOAKNSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)[C@@H]1CCCO1 ZINC001573690807 948229980 /nfs/dbraw/zinc/22/99/80/948229980.db2.gz BLPBTWIHGJSKDC-LRDDRELGSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccsc1 ZINC001573695694 948308930 /nfs/dbraw/zinc/30/89/30/948308930.db2.gz YMWPYIOUTJVOPO-PWSUYJOCSA-N 1 0 392.510 1.360 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C ZINC001573695911 948312144 /nfs/dbraw/zinc/31/21/44/948312144.db2.gz YSLJJEUAGXPIPC-SMDDNHRTSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)C(C)(F)F ZINC001573696581 948327817 /nfs/dbraw/zinc/32/78/17/948327817.db2.gz SNWANIJTVWFXBW-MPESAESLSA-N 1 0 390.438 1.952 20 0 GDADRO C[C@H](C(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573706383 948418253 /nfs/dbraw/zinc/41/82/53/948418253.db2.gz IYBNQOVNCLHDTD-NQHOJNORSA-N 1 0 380.456 1.166 20 0 GDADRO C[C@H](C(=O)NCC[C@H](C)Nc1ncccc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573719582 948526246 /nfs/dbraw/zinc/52/62/46/948526246.db2.gz XAEVFUYFWIICFP-LSDHHAIUSA-N 1 0 386.504 1.833 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573731535 948592398 /nfs/dbraw/zinc/59/23/98/948592398.db2.gz GGXXTSUOAPOIIM-RYUDHWBXSA-N 1 0 386.435 1.137 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H](C)c1cccnc1 ZINC001573740623 948639702 /nfs/dbraw/zinc/63/97/02/948639702.db2.gz RATRIGGCRCFVQX-OLZOCXBDSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573746063 948676822 /nfs/dbraw/zinc/67/68/22/948676822.db2.gz IYGKUAVVSQFPIX-PBHICJAKSA-N 1 0 377.452 1.756 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573751800 948705383 /nfs/dbraw/zinc/70/53/83/948705383.db2.gz DFOWAXNWOZFWLT-BPUTZDHNSA-N 1 0 384.488 1.585 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573753938 948723055 /nfs/dbraw/zinc/72/30/55/948723055.db2.gz YMFULDQENAOBKI-UBHSHLNASA-N 1 0 384.419 1.200 20 0 GDADRO CC(C)c1cccc(C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001574418225 948776609 /nfs/dbraw/zinc/77/66/09/948776609.db2.gz VTSFVDKDBKJQCO-CQSZACIVSA-N 1 0 392.467 1.776 20 0 GDADRO CC(F)(F)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575224245 948781160 /nfs/dbraw/zinc/78/11/60/948781160.db2.gz KUKXXPXWPJPLJB-JTQLQIEISA-N 1 0 386.428 1.291 20 0 GDADRO CC(C)[C@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCC1 ZINC001574679495 948784612 /nfs/dbraw/zinc/78/46/12/948784612.db2.gz WGKRNJNUSNFUKF-XJKSGUPXSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574916930 948796688 /nfs/dbraw/zinc/79/66/88/948796688.db2.gz MOTJDEKQDICQDS-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574420311 948797909 /nfs/dbraw/zinc/79/79/09/948797909.db2.gz TTXGFDLOZISGLO-CQSZACIVSA-N 1 0 380.456 1.718 20 0 GDADRO CC(F)(F)CC(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575226305 948818685 /nfs/dbraw/zinc/81/86/85/948818685.db2.gz LUHIYQMTPLALPA-LLVKDONJSA-N 1 0 382.390 1.989 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574917813 948828136 /nfs/dbraw/zinc/82/81/36/948828136.db2.gz CFUJVSBFXQVEST-ZDUSSCGKSA-N 1 0 377.468 1.284 20 0 GDADRO CC(C)c1nc(C(=O)N(C)[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)cs1 ZINC001574424179 948843732 /nfs/dbraw/zinc/84/37/32/948843732.db2.gz HGYQGDAJMOSBIJ-NSHDSACASA-N 1 0 386.485 1.836 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001574684367 948863545 /nfs/dbraw/zinc/86/35/45/948863545.db2.gz DVJKMYKOEWCOIE-LLVKDONJSA-N 1 0 390.879 1.318 20 0 GDADRO CC(C)(C(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)F ZINC001573763362 948866434 /nfs/dbraw/zinc/86/64/34/948866434.db2.gz DOCRLCKMESDVTH-LLVKDONJSA-N 1 0 379.415 1.625 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCCCO1 ZINC001573763403 948867180 /nfs/dbraw/zinc/86/71/80/948867180.db2.gz DRYCRCUASGVHBN-CZUORRHYSA-N 1 0 385.472 1.292 20 0 GDADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001574082818 948867866 /nfs/dbraw/zinc/86/78/66/948867866.db2.gz KWVJPHCNRLADGR-MAUKXSAKSA-N 1 0 384.484 1.728 20 0 GDADRO C[C@@H](CNC(=O)CCc1nccn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920478 948901439 /nfs/dbraw/zinc/90/14/39/948901439.db2.gz MCWQBKQGOYGSAT-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CNC(=O)CCc1nccn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920410 948902523 /nfs/dbraw/zinc/90/25/23/948902523.db2.gz KMJRMWLTBCKQEF-GFCCVEGCSA-N 1 0 388.501 1.231 20 0 GDADRO CC(F)(F)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575237436 948943562 /nfs/dbraw/zinc/94/35/62/948943562.db2.gz FZQHTMVNTKPBLX-LBPRGKRZSA-N 1 0 386.378 1.008 20 0 GDADRO CC(C)(C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)F ZINC001573772264 948955239 /nfs/dbraw/zinc/95/52/39/948955239.db2.gz SARPMJLUBZHGEK-UHFFFAOYSA-N 1 0 379.415 1.814 20 0 GDADRO CC(F)(F)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575238368 948955420 /nfs/dbraw/zinc/95/54/20/948955420.db2.gz LMAYSEJCKNSYLB-ZIAGYGMSSA-N 1 0 379.415 1.958 20 0 GDADRO C[C@H](CNC(=O)CCn1ccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923741 948958475 /nfs/dbraw/zinc/95/84/75/948958475.db2.gz RPKMNMZKWYRHCL-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC001574089585 948959075 /nfs/dbraw/zinc/95/90/75/948959075.db2.gz FSKIAOXQDZJFED-WMZOPIPTSA-N 1 0 384.484 1.967 20 0 GDADRO C[C@@H](CNC(=O)CCn1cccc1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574924116 948967113 /nfs/dbraw/zinc/96/71/13/948967113.db2.gz WNLPSFRYGFDPEZ-AWEZNQCLSA-N 1 0 385.447 1.834 20 0 GDADRO CC(C)[C@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574689151 948981380 /nfs/dbraw/zinc/98/13/80/948981380.db2.gz DYCKAULYYASULJ-DZGCQCFKSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926223 948991040 /nfs/dbraw/zinc/99/10/40/948991040.db2.gz LFCNAONWSNLSNM-VXGBXAGGSA-N 1 0 392.895 1.421 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCCC1 ZINC001573774061 948998771 /nfs/dbraw/zinc/99/87/71/948998771.db2.gz PWTGLKJFIVMXAK-MRXNPFEDSA-N 1 0 386.500 1.650 20 0 GDADRO C[C@@H](CNC(=O)COC(C)(C)C)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574927517 949047206 /nfs/dbraw/zinc/04/72/06/949047206.db2.gz JSOBOXMZMLNYKS-LBPRGKRZSA-N 1 0 378.452 1.757 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1)[NH+]1CCCC1 ZINC001574694567 949082281 /nfs/dbraw/zinc/08/22/81/949082281.db2.gz RPZHZNOWLBOEMY-YOEHRIQHSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574929239 949085117 /nfs/dbraw/zinc/08/51/17/949085117.db2.gz BEEZMSAZQQPGSE-CYBMUJFWSA-N 1 0 390.463 1.949 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574694660 949086297 /nfs/dbraw/zinc/08/62/97/949086297.db2.gz UBOHHTLNDMCTLK-DZGCQCFKSA-N 1 0 387.492 1.036 20 0 GDADRO CC(C)c1nocc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574443476 949108470 /nfs/dbraw/zinc/10/84/70/949108470.db2.gz YXFULXMBXHYUIF-HNNXBMFYSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575509020 949110415 /nfs/dbraw/zinc/11/04/15/949110415.db2.gz BFPDJRBWLCYPBV-IHQJAULKSA-N 1 0 381.415 1.755 20 0 GDADRO C[C@H](CNC(=O)COCc1ccncc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574931790 949124491 /nfs/dbraw/zinc/12/44/91/949124491.db2.gz SJLGGUBEMDSPOL-CQSZACIVSA-N 1 0 381.440 1.073 20 0 GDADRO CC(C)c1ocnc1C(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574446445 949132275 /nfs/dbraw/zinc/13/22/75/949132275.db2.gz QDJLQGLOWWTUBH-UHFFFAOYSA-N 1 0 382.428 1.510 20 0 GDADRO C[C@H](c1ccccc1)N1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514185 949163017 /nfs/dbraw/zinc/16/30/17/949163017.db2.gz BKMVUHQSIDTTNL-CZUORRHYSA-N 1 0 381.440 1.387 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+](C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575515421 949188202 /nfs/dbraw/zinc/18/82/02/949188202.db2.gz IPECWHBHDARUCY-LBPRGKRZSA-N 1 0 381.444 1.282 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574935094 949191022 /nfs/dbraw/zinc/19/10/22/949191022.db2.gz YXNXQVKLKKFEQQ-CYBMUJFWSA-N 1 0 384.415 1.679 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574698643 949204950 /nfs/dbraw/zinc/20/49/50/949204950.db2.gz NKJCHLOTJVIHGY-KBPBESRZSA-N 1 0 382.472 1.340 20 0 GDADRO CC(C)c1ocnc1C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574449907 949208029 /nfs/dbraw/zinc/20/80/29/949208029.db2.gz VMNGQFZKALHZNP-GFCCVEGCSA-N 1 0 384.444 1.558 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cc1F)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574936268 949214648 /nfs/dbraw/zinc/21/46/48/949214648.db2.gz JCXHVGMMJVBCHN-NSHDSACASA-N 1 0 387.394 1.369 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cc1F)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574936265 949214921 /nfs/dbraw/zinc/21/49/21/949214921.db2.gz JCXHVGMMJVBCHN-LLVKDONJSA-N 1 0 387.394 1.369 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@](CO)([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573791597 949224332 /nfs/dbraw/zinc/22/43/32/949224332.db2.gz CQHYRHXBFZBBQC-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO 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C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574490432 949996984 /nfs/dbraw/zinc/99/69/84/949996984.db2.gz RMSJJEHSYISTNX-JKIFEVAISA-N 1 0 380.456 1.395 20 0 GDADRO CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001573834095 950011238 /nfs/dbraw/zinc/01/12/38/950011238.db2.gz FYCMIOQJOMOKLU-OLZOCXBDSA-N 1 0 378.502 1.416 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCCO1 ZINC001574150232 950022355 /nfs/dbraw/zinc/02/23/55/950022355.db2.gz AMRIDNIMZMGDSY-DOTOQJQBSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCCO1 ZINC001574150268 950025694 /nfs/dbraw/zinc/02/56/94/950025694.db2.gz AWCKUXZFDTVUHT-JSGCOSHPSA-N 1 0 378.502 1.728 20 0 GDADRO CC(C)C[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574150625 950036503 /nfs/dbraw/zinc/03/65/03/950036503.db2.gz CQDIPZPQFODADI-HUUCEWRRSA-N 1 0 389.504 1.744 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576182393 950050879 /nfs/dbraw/zinc/05/08/79/950050879.db2.gz ZHAOLZLTDVXRPD-RYUDHWBXSA-N 1 0 381.444 1.008 20 0 GDADRO CC1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCCCC1 ZINC001575577554 950083294 /nfs/dbraw/zinc/08/32/94/950083294.db2.gz WRYXMNIRMPRIJD-OAHLLOKOSA-N 1 0 390.463 1.543 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1C[NH2+]CC1CCOCC1 ZINC001576183384 950087984 /nfs/dbraw/zinc/08/79/84/950087984.db2.gz QZMQLHUAGGEGQZ-DYVFJYSZSA-N 1 0 387.488 1.452 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CC(C)(C)O ZINC001574151654 950091162 /nfs/dbraw/zinc/09/11/62/950091162.db2.gz XGSHXSBZPVPDFM-HNNXBMFYSA-N 1 0 392.479 1.787 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H](O)C(C)C ZINC001574151795 950096426 /nfs/dbraw/zinc/09/64/26/950096426.db2.gz YHHWWVPTYLONRP-NVXWUHKLSA-N 1 0 392.479 1.643 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574733410 950110811 /nfs/dbraw/zinc/11/08/11/950110811.db2.gz AFTASDMHWAIWTP-XTENKEOPSA-N 1 0 382.468 1.227 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cnccn1 ZINC001574153256 950133065 /nfs/dbraw/zinc/13/30/65/950133065.db2.gz QKJWKBCRJGDAQE-HNNXBMFYSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001574978628 950137475 /nfs/dbraw/zinc/13/74/75/950137475.db2.gz TUSLGSNVAAOZQM-BJOHPYRUSA-N 1 0 387.394 1.868 20 0 GDADRO C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576184699 950139131 /nfs/dbraw/zinc/13/91/31/950139131.db2.gz XGOATRNQXPXZOC-HIFRSBDPSA-N 1 0 383.456 1.274 20 0 GDADRO C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576184874 950141780 /nfs/dbraw/zinc/14/17/80/950141780.db2.gz XKVJOTQNXOSFPZ-HUUCEWRRSA-N 1 0 384.488 1.254 20 0 GDADRO C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576184872 950142801 /nfs/dbraw/zinc/14/28/01/950142801.db2.gz XKVJOTQNXOSFPZ-CABCVRRESA-N 1 0 384.488 1.254 20 0 GDADRO CC1(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCCC1 ZINC001575584205 950166438 /nfs/dbraw/zinc/16/64/38/950166438.db2.gz WTJOPOUVVYDEDA-HXUWFJFHSA-N 1 0 384.484 1.500 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2cccnn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575899744 950176563 /nfs/dbraw/zinc/17/65/63/950176563.db2.gz YMWUTEHSSMDSPP-BBRMVZONSA-N 1 0 378.440 1.440 20 0 GDADRO CC(C)c1noc([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574983002 950196339 /nfs/dbraw/zinc/19/63/39/950196339.db2.gz ITSSYQNJBOLBCS-GHMZBOCLSA-N 1 0 387.448 1.418 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccn(C)c1 ZINC001575900650 950200537 /nfs/dbraw/zinc/20/05/37/950200537.db2.gz GXTUIHICCNFBFS-PXAZEXFGSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cccn1C ZINC001575900702 950205182 /nfs/dbraw/zinc/20/51/82/950205182.db2.gz HSGUHEFCKSPPED-BLLLJJGKSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575586039 950215046 /nfs/dbraw/zinc/21/50/46/950215046.db2.gz GGCVUIDYXVKYEG-QRWLVFNGSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C[NH2+]Cc1cncs1 ZINC001576192304 950237479 /nfs/dbraw/zinc/23/74/79/950237479.db2.gz NGMVNZLJBVCYAX-DGCLKSJQSA-N 1 0 386.485 1.539 20 0 GDADRO CC(C)C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574157739 950251782 /nfs/dbraw/zinc/25/17/82/950251782.db2.gz HRAJISVMBJVJNL-CYBMUJFWSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cccc(Cl)c1F ZINC001574984009 950252412 /nfs/dbraw/zinc/25/24/12/950252412.db2.gz VFKARAGROVIKMH-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cc1cscn1 ZINC001574157992 950267438 /nfs/dbraw/zinc/26/74/38/950267438.db2.gz MFSIGCXEROEKBV-LBPRGKRZSA-N 1 0 386.485 1.326 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cocn2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576192831 950270004 /nfs/dbraw/zinc/27/00/04/950270004.db2.gz PTJUNBQZHCRLFF-CZUORRHYSA-N 1 0 381.440 1.743 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC001574498346 950271258 /nfs/dbraw/zinc/27/12/58/950271258.db2.gz MPSJJGVEAAKOQU-MFKMUULPSA-N 1 0 386.378 1.022 20 0 GDADRO C[C@H]1CCN(C(=O)c2cocn2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576192832 950274182 /nfs/dbraw/zinc/27/41/82/950274182.db2.gz PTJUNBQZHCRLFF-XJKSGUPXSA-N 1 0 381.440 1.743 20 0 GDADRO C[C@@H]1[C@H]([NH2+]CCc2ccccc2F)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575903173 950275120 /nfs/dbraw/zinc/27/51/20/950275120.db2.gz YUINDSNGBMSYLY-IUODEOHRSA-N 1 0 383.431 1.769 20 0 GDADRO CC(C)(C)OC(=O)COCCOCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573850500 950275592 /nfs/dbraw/zinc/27/55/92/950275592.db2.gz KIBIZXLXRRVPNR-UHFFFAOYSA-N 1 0 395.435 1.470 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cn(C)cn1 ZINC001575903209 950278856 /nfs/dbraw/zinc/27/88/56/950278856.db2.gz YWNQOQQUAOPKGD-NHYWBVRUSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)cc2F)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575904766 950281766 /nfs/dbraw/zinc/28/17/66/950281766.db2.gz APABQOVBHMKJIM-QMTHXVAHSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CC1OCCCO1 ZINC001575905366 950290619 /nfs/dbraw/zinc/29/06/19/950290619.db2.gz BZBIVGVSAZNCQL-DGCLKSJQSA-N 1 0 392.485 1.160 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ncccc1O ZINC001575905450 950293939 /nfs/dbraw/zinc/29/39/39/950293939.db2.gz CNCOQKSAVWUZPK-IUODEOHRSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ncccn1 ZINC001575905468 950295181 /nfs/dbraw/zinc/29/51/81/950295181.db2.gz CVUYDKLREGXMJO-XHDPSFHLSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1n[nH]cc1F ZINC001575905762 950297337 /nfs/dbraw/zinc/29/73/37/950297337.db2.gz FDRHKBOCBAXKJP-OTYXRUKQSA-N 1 0 388.382 1.261 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576193474 950301369 /nfs/dbraw/zinc/30/13/69/950301369.db2.gz VFRDZWKELVFEJI-UKRRQHHQSA-N 1 0 380.456 1.478 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574159258 950301975 /nfs/dbraw/zinc/30/19/75/950301975.db2.gz VEAVCFWADBIOBS-CFAJVAMVSA-N 1 0 385.472 1.194 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1csnn1 ZINC001575906000 950304537 /nfs/dbraw/zinc/30/45/37/950304537.db2.gz FPVUASAJYYHXAA-ZANVPECISA-N 1 0 388.432 1.250 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906048 950304858 /nfs/dbraw/zinc/30/48/58/950304858.db2.gz GIOKINOGPQODRY-SKDRFNHKSA-N 1 0 375.433 1.788 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1nccs1 ZINC001575906362 950312963 /nfs/dbraw/zinc/31/29/63/950312963.db2.gz HXPADLYGDBZOCO-YGRLFVJLSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@]1(C(=O)NCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCCOC1 ZINC001575593324 950314332 /nfs/dbraw/zinc/31/43/32/950314332.db2.gz NLWGKJOPDMEOST-SFHVURJKSA-N 1 0 390.513 1.826 20 0 GDADRO C[C@H](CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001574500374 950314557 /nfs/dbraw/zinc/31/45/57/950314557.db2.gz ZVTMOYPPNKTTEF-KZULUSFZSA-N 1 0 390.513 1.417 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C[NH2+]Cc1cccnc1 ZINC001576193724 950314841 /nfs/dbraw/zinc/31/48/41/950314841.db2.gz WMRODZDNNSWCCA-UKRRQHHQSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)C1=CCOCC1 ZINC001575907168 950325362 /nfs/dbraw/zinc/32/53/62/950325362.db2.gz MBRDYXVZGRIMQL-PXAZEXFGSA-N 1 0 386.431 1.432 20 0 GDADRO CC(C)C[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001574160264 950337937 /nfs/dbraw/zinc/33/79/37/950337937.db2.gz MRXYTXZRPHWBGS-HUUCEWRRSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575908136 950354629 /nfs/dbraw/zinc/35/46/29/950354629.db2.gz ALESELPNAQMNTC-WBMJQRKESA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575908238 950356890 /nfs/dbraw/zinc/35/68/90/950356890.db2.gz SWOZAZYJSPUAHJ-GUYCJALGSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(F)c2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575908314 950358819 /nfs/dbraw/zinc/35/88/19/950358819.db2.gz UHUXYAYTGMANJK-MEBBXXQBSA-N 1 0 387.394 1.866 20 0 GDADRO CC(C)C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CC[NH+](C)C ZINC001574161495 950366056 /nfs/dbraw/zinc/36/60/56/950366056.db2.gz VLUXRMKBIRTCSO-ZDUSSCGKSA-N 1 0 378.456 1.295 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3ncccc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001576196481 950367488 /nfs/dbraw/zinc/36/74/88/950367488.db2.gz FEAVWQNKLFLLLU-UKRRQHHQSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@]1(C(=O)NCC[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575596154 950368832 /nfs/dbraw/zinc/36/88/32/950368832.db2.gz SCMGGFYGFQNLRW-QRWLVFNGSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccncn1 ZINC001575908538 950369457 /nfs/dbraw/zinc/36/94/57/950369457.db2.gz UWOWCXDSDRZMMV-KSSFIOAISA-N 1 0 392.467 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(C2CC2)on1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574745291 950376236 /nfs/dbraw/zinc/37/62/36/950376236.db2.gz HWEUHBZWLIOGTL-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001575908757 950376550 /nfs/dbraw/zinc/37/65/50/950376550.db2.gz DSODVUCFIPRKHW-MFKMUULPSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@]1(C(=O)NCC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575596496 950377479 /nfs/dbraw/zinc/37/74/79/950377479.db2.gz SVNSZSARJPUZOM-UGSOOPFHSA-N 1 0 390.513 1.683 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575596388 950378643 /nfs/dbraw/zinc/37/86/43/950378643.db2.gz DNOIZHSBRSHYSF-NBQZKYEYSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001574745420 950380263 /nfs/dbraw/zinc/38/02/63/950380263.db2.gz JKXCPWJGCZVZNQ-LBPRGKRZSA-N 1 0 381.440 1.475 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccn(C)n1 ZINC001575908874 950382313 /nfs/dbraw/zinc/38/23/13/950382313.db2.gz WPNCINBRZNCBGZ-NHYWBVRUSA-N 1 0 384.419 1.132 20 0 GDADRO CC(C)(C)OC(=O)N1CCOC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573856600 950387405 /nfs/dbraw/zinc/38/74/05/950387405.db2.gz FLLMGYLLVUEMTG-NSHDSACASA-N 1 0 380.474 1.654 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)COC(C)(C)C ZINC001575909274 950390334 /nfs/dbraw/zinc/39/03/34/950390334.db2.gz YGSZJBSOYATVAR-LRDDRELGSA-N 1 0 390.463 1.900 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(C2CC2)no1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574747077 950399321 /nfs/dbraw/zinc/39/93/21/950399321.db2.gz QPGRNKQXGVEHKJ-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575909546 950400876 /nfs/dbraw/zinc/40/08/76/950400876.db2.gz HGBAFXPFKMFLKD-XJKSGUPXSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576198353 950405633 /nfs/dbraw/zinc/40/56/33/950405633.db2.gz SDWPGGJUVQNPRQ-KGLIPLIRSA-N 1 0 387.463 1.751 20 0 GDADRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)n3)C[C@]2(C)C1 ZINC001573857533 950407861 /nfs/dbraw/zinc/40/78/61/950407861.db2.gz USRUCUYBGZHQIX-ORAYPTAESA-N 1 0 385.472 1.951 20 0 GDADRO CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOCC1 ZINC001575597319 950409300 /nfs/dbraw/zinc/40/93/00/950409300.db2.gz OSEKFFHHGJRQGM-WOVMCDHWSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H]1C[C@H](Nc2ncccc2-c2nn[nH]n2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198882 950415470 /nfs/dbraw/zinc/41/54/70/950415470.db2.gz WHDHKLNLTHCVFJ-GJZGRUSLSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001576199460 950426528 /nfs/dbraw/zinc/42/65/28/950426528.db2.gz ZBOZXZMOKYPSOE-AWEZNQCLSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC2CCC(Nc3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001576203262 950441262 /nfs/dbraw/zinc/44/12/62/950441262.db2.gz FWTXDWXHPKESCB-NFOMZHRRSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCCOC1 ZINC001575605735 950478210 /nfs/dbraw/zinc/47/82/10/950478210.db2.gz RDLZSOFWHAHOMD-ZRGWGRIASA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001574994486 950485083 /nfs/dbraw/zinc/48/50/83/950485083.db2.gz RXQPSEPBUBAPMA-XPTSAGLGSA-N 1 0 387.394 1.868 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205002 950489218 /nfs/dbraw/zinc/48/92/18/950489218.db2.gz FOCASKUGNJYUIJ-HIFRSBDPSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Br)c[nH]1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574995397 950509459 /nfs/dbraw/zinc/50/94/59/950509459.db2.gz FOOSTWTVFTYMKP-QMMMGPOBSA-N 1 0 391.233 1.005 20 0 GDADRO CC(C)c1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nn1C ZINC001574995662 950510622 /nfs/dbraw/zinc/51/06/22/950510622.db2.gz GFLQLCBVKHFREF-ZDUSSCGKSA-N 1 0 382.472 1.632 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(Nc3ncccc3-c3nn[nH]n3)CCCC2)C1 ZINC001576205383 950513801 /nfs/dbraw/zinc/51/38/01/950513801.db2.gz IHFLSFHKURKSQH-CQSZACIVSA-N 1 0 384.488 1.444 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001574995719 950516484 /nfs/dbraw/zinc/51/64/84/950516484.db2.gz HTBPPFZSMHXTCR-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001573866951 950518333 /nfs/dbraw/zinc/51/83/33/950518333.db2.gz OIRZLEUQBVGZMZ-UHFFFAOYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206306 950569570 /nfs/dbraw/zinc/56/95/70/950569570.db2.gz WFRJZNUTMQNPHV-DZGCQCFKSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574999223 950571571 /nfs/dbraw/zinc/57/15/71/950571571.db2.gz GYELAHDXVGJIJS-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575615811 950575749 /nfs/dbraw/zinc/57/57/49/950575749.db2.gz IHHUAHKWITWVTR-OAHLLOKOSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCC2(Nc3ncc(-c4nn[nH]n4)cc3Cl)CC2)C1 ZINC001576206947 950584035 /nfs/dbraw/zinc/58/40/35/950584035.db2.gz ZTBSRKHUDCOCIZ-NSHDSACASA-N 1 0 390.879 1.318 20 0 GDADRO CC(C)CCC(=O)N1CCC[C@@](CO)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574173152 950592978 /nfs/dbraw/zinc/59/29/78/950592978.db2.gz GKEYWODWKMHUCW-HXUWFJFHSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575000072 950595831 /nfs/dbraw/zinc/59/58/31/950595831.db2.gz OUCKKVPUDVZXCH-SNVBAGLBSA-N 1 0 384.419 1.514 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H](C)n1ccnc1 ZINC001574513714 950612364 /nfs/dbraw/zinc/61/23/64/950612364.db2.gz WJKOCJUBRIGXRO-CHWSQXEVSA-N 1 0 386.435 1.448 20 0 GDADRO CC(C)(C)OCC(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001573871621 950622839 /nfs/dbraw/zinc/62/28/39/950622839.db2.gz TZHLAUVAFPSTDZ-UHFFFAOYSA-N 1 0 378.502 1.824 20 0 GDADRO CC(C)(C)OCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCC1 ZINC001573871617 950623012 /nfs/dbraw/zinc/62/30/12/950623012.db2.gz TYXQIGVLLHNJTE-UHFFFAOYSA-N 1 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CC(C)CCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574181760 950749908 /nfs/dbraw/zinc/74/99/08/950749908.db2.gz PRWASQDFUSZLNG-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)(C)c1ccc(C(=O)NCC=CCNc2cc[nH+]cc2-c2nn[nH]n2)nc1 ZINC001573881958 950757611 /nfs/dbraw/zinc/75/76/11/950757611.db2.gz LHZRIFLZZMLJBI-SNAWJCMRSA-N 1 0 392.467 1.774 20 0 GDADRO CC(C)OCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574520867 950758230 /nfs/dbraw/zinc/75/82/30/950758230.db2.gz APCQLQPURAMPHJ-STQMWFEESA-N 1 0 378.452 1.804 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1nccs1 ZINC001575928104 950771192 /nfs/dbraw/zinc/77/11/92/950771192.db2.gz YPSSYRLNMNWIDD-YPMHNXCESA-N 1 0 384.469 1.174 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cscn1 ZINC001574521237 950771895 /nfs/dbraw/zinc/77/18/95/950771895.db2.gz DNOOGDQJDSUGHP-QWHCGFSZSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1ccon1 ZINC001574521512 950778713 /nfs/dbraw/zinc/77/87/13/950778713.db2.gz GLGUFTOERJVIEM-NWDGAFQWSA-N 1 0 387.419 1.609 20 0 GDADRO CC(C)C(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576218389 950787593 /nfs/dbraw/zinc/78/75/93/950787593.db2.gz LQOXNTQAFIHWGM-YWZLYKJASA-N 1 0 384.484 1.715 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cncs1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574522181 950789025 /nfs/dbraw/zinc/78/90/25/950789025.db2.gz JCKHOWAHQSRQNA-OLZOCXBDSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cc[nH]n1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574522144 950790173 /nfs/dbraw/zinc/79/01/73/950790173.db2.gz ISLISBZSWIKPCU-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)CCC[NH+](C)C ZINC001575931144 950799735 /nfs/dbraw/zinc/79/97/35/950799735.db2.gz HANGKBZIKBYKLL-SMDDNHRTSA-N 1 0 376.440 1.144 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1ccon1 ZINC001574523951 950842651 /nfs/dbraw/zinc/84/26/51/950842651.db2.gz SLGCKBXRXNXXGK-VXGBXAGGSA-N 1 0 389.485 1.922 20 0 GDADRO C[C@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574767327 950845778 /nfs/dbraw/zinc/84/57/78/950845778.db2.gz QKIUQRNYECBSOT-LLVKDONJSA-N 1 0 382.428 1.197 20 0 GDADRO CC1(C)CC(C[NH2+]C2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCOCC2)C1 ZINC001575638866 950854267 /nfs/dbraw/zinc/85/42/67/950854267.db2.gz KTFDNWLWOLXLCV-UHFFFAOYSA-N 1 0 387.488 1.500 20 0 GDADRO CC1(C)CC(C[NH+]2CC3(C2)C[C@@H](NC(=O)c2c[nH]c(-c4nn[nH]n4)c2)CO3)C1 ZINC001575639069 950856672 /nfs/dbraw/zinc/85/66/72/950856672.db2.gz ONYCCRPUKAFUEL-CQSZACIVSA-N 1 0 385.472 1.204 20 0 GDADRO CC(C)c1scnc1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574767890 950868249 /nfs/dbraw/zinc/86/82/49/950868249.db2.gz RCTABWBJEJXDTH-LLVKDONJSA-N 1 0 386.485 1.836 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1ccnc1 ZINC001574524652 950868560 /nfs/dbraw/zinc/86/85/60/950868560.db2.gz YEEKQKKDIHDXIF-CHWSQXEVSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnn(C)c1 ZINC001574527225 950880569 /nfs/dbraw/zinc/88/05/69/950880569.db2.gz AUQFRODDEKXFTA-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H]1CN(C(=O)C2CCOCC2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576226484 950881382 /nfs/dbraw/zinc/88/13/82/950881382.db2.gz BSIDZVROLYNKQN-SWLSCSKDSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ncccc1O ZINC001574527492 950890650 /nfs/dbraw/zinc/89/06/50/950890650.db2.gz CMYQEOIDBCDJMY-CHWSQXEVSA-N 1 0 381.440 1.654 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCC[C@@](CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001575640216 950892155 /nfs/dbraw/zinc/89/21/55/950892155.db2.gz YOLYYKMCUYWXEO-LJQANCHMSA-N 1 0 387.488 1.188 20 0 GDADRO C[C@H](C[N@H+](C)CCCC1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771957 950947942 /nfs/dbraw/zinc/94/79/42/950947942.db2.gz NRBOEEMGPISMSD-CYBMUJFWSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1n[nH]cc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574529596 950956385 /nfs/dbraw/zinc/95/63/85/950956385.db2.gz RGPRRKKIPBNSTF-ZJUUUORDSA-N 1 0 390.398 1.555 20 0 GDADRO C[C@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574772058 950956683 /nfs/dbraw/zinc/95/66/83/950956683.db2.gz PBUNPYOLSVNKLH-XJKCOSOUSA-N 1 0 389.479 1.283 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001575937967 950958821 /nfs/dbraw/zinc/95/88/21/950958821.db2.gz IAKQKXYVFJWYSN-QAPCUYQASA-N 1 0 386.500 1.962 20 0 GDADRO CC(C)(CC(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573897822 950965438 /nfs/dbraw/zinc/96/54/38/950965438.db2.gz UADWYGNZXBSTMA-OAHLLOKOSA-N 1 0 390.463 1.399 20 0 GDADRO CC(C)(CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573899711 950990237 /nfs/dbraw/zinc/99/02/37/950990237.db2.gz IWSMZFQMYMKUSL-MGCOHNPYSA-N 1 0 383.378 1.721 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccncc1Cl ZINC001574530707 950991240 /nfs/dbraw/zinc/99/12/40/950991240.db2.gz VYKQHSBGHRHXNS-MNOVXSKESA-N 1 0 388.863 1.930 20 0 GDADRO CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001575025322 951131313 /nfs/dbraw/zinc/13/13/13/951131313.db2.gz YAAHJCYIZLRCOI-LBPRGKRZSA-N 1 0 382.428 1.096 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(-n2cccc2)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575026384 951143522 /nfs/dbraw/zinc/14/35/22/951143522.db2.gz IKHMOUYQOXRUSC-AWEZNQCLSA-N 1 0 388.435 1.705 20 0 GDADRO C[C@H](CNC(=O)c1ccnn1CC(F)F)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575035055 951268431 /nfs/dbraw/zinc/26/84/31/951268431.db2.gz UAQXSOPFNOVPKL-LLVKDONJSA-N 1 0 390.398 1.236 20 0 GDADRO C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575036471 951295127 /nfs/dbraw/zinc/29/51/27/951295127.db2.gz SLWCUTDBMJSCJO-LBPRGKRZSA-N 1 0 383.460 1.113 20 0 GDADRO C[C@H](CNC(=O)c1ccn(C(F)F)n1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575036850 951300723 /nfs/dbraw/zinc/30/07/23/951300723.db2.gz XQZDEXJEXHTNNZ-LLVKDONJSA-N 1 0 390.398 1.709 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575042935 951375985 /nfs/dbraw/zinc/37/59/85/951375985.db2.gz DMFIJMLCPSNVQI-NWDGAFQWSA-N 1 0 381.444 1.008 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575043427 951394402 /nfs/dbraw/zinc/39/44/02/951394402.db2.gz JACSNWSTOSXXDD-SNVBAGLBSA-N 1 0 384.469 1.504 20 0 GDADRO C[C@H](CNC(=O)c1cncnc1C1CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575047215 951454064 /nfs/dbraw/zinc/45/40/64/951454064.db2.gz ZPHJNVIUBXUXAF-LLVKDONJSA-N 1 0 379.428 1.184 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H](C)[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001575052484 951466947 /nfs/dbraw/zinc/46/69/47/951466947.db2.gz KBLARRZXDXSLAG-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575053734 951483994 /nfs/dbraw/zinc/48/39/94/951483994.db2.gz DIXAJAWOTLYCBL-NSHDSACASA-N 1 0 384.419 1.057 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575054217 951489515 /nfs/dbraw/zinc/48/95/15/951489515.db2.gz XPDZIJXVWBXDGN-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CC2CC2)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575055223 951500113 /nfs/dbraw/zinc/50/01/13/951500113.db2.gz OJJUOADRZPGQFI-CYBMUJFWSA-N 1 0 380.456 1.381 20 0 GDADRO C[C@@H](CNC(=O)c1coc(CC2CC2)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575055943 951514115 /nfs/dbraw/zinc/51/41/15/951514115.db2.gz DBNHQGCYGZWAQJ-LBPRGKRZSA-N 1 0 381.440 1.715 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C(F)F)c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056200 951517956 /nfs/dbraw/zinc/51/79/56/951517956.db2.gz GNEDQCSCTZRJMX-SECBINFHSA-N 1 0 377.355 1.692 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]cc1F)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575061212 951555667 /nfs/dbraw/zinc/55/56/67/951555667.db2.gz LNQWJARLIBPYFO-VIFPVBQESA-N 1 0 376.371 1.118 20 0 GDADRO C[C@@H](CNC(=O)c1ncc(F)cc1F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575062532 951572135 /nfs/dbraw/zinc/57/21/35/951572135.db2.gz XKDQKHKEQLAXRE-VIFPVBQESA-N 1 0 391.357 1.587 20 0 GDADRO C[C@H](CNC(=O)c1nn(C)cc1Cl)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575064614 951575457 /nfs/dbraw/zinc/57/54/57/951575457.db2.gz AZAODPXGRLGYJR-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C(F)F)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575064808 951579945 /nfs/dbraw/zinc/57/99/45/951579945.db2.gz DIIIQCFUCBJQLE-QMMMGPOBSA-N 1 0 378.343 1.087 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1F)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067370 951608425 /nfs/dbraw/zinc/60/84/25/951608425.db2.gz LGTSUQQUKYTIIO-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1nn(C)cc1Cl)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067637 951619468 /nfs/dbraw/zinc/61/94/68/951619468.db2.gz WUZAHDGVTAQUIV-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)c1ncc2n1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067892 951626146 /nfs/dbraw/zinc/62/61/46/951626146.db2.gz RBOWJJSOHNGVBW-CYBMUJFWSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1F)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575068081 951630188 /nfs/dbraw/zinc/63/01/88/951630188.db2.gz XEFOXHIXCATMOY-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575068627 951636960 /nfs/dbraw/zinc/63/69/60/951636960.db2.gz CLGDHBOMEWXVAP-NSHDSACASA-N 1 0 386.485 1.615 20 0 GDADRO C[C@H](CNC(=O)c1scnc1Cl)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575071330 951658975 /nfs/dbraw/zinc/65/89/75/951658975.db2.gz ZSSUCYQIYLIHQR-SECBINFHSA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](C[NH2+]C[C@H](O)C1CCCCC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077327 951666389 /nfs/dbraw/zinc/66/63/89/951666389.db2.gz FSZMAMILNKOVAU-LRDDRELGSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@H](CNC(=O)CC1(O)CCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077384 951667470 /nfs/dbraw/zinc/66/74/70/951667470.db2.gz CFAYRZZBQYWCIY-GFCCVEGCSA-N 1 0 376.436 1.153 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@@H](O)c1ccccc1F ZINC001575077523 951671618 /nfs/dbraw/zinc/67/16/18/951671618.db2.gz GPLBPSGREHHMGD-BDJLRTHQSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575077794 951674256 /nfs/dbraw/zinc/67/42/56/951674256.db2.gz HOCJTXYFVQSWKB-HXPMCKFVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575077878 951675851 /nfs/dbraw/zinc/67/58/51/951675851.db2.gz JELVBOXNVSQXHI-GXTWGEPZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)n1cccn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078063 951678231 /nfs/dbraw/zinc/67/82/31/951678231.db2.gz JQJGDXZUUOEHFP-STQMWFEESA-N 1 0 386.435 1.305 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575078399 951679333 /nfs/dbraw/zinc/67/93/33/951679333.db2.gz LGNPEFLIHWYETO-CZUORRHYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575079520 951692478 /nfs/dbraw/zinc/69/24/78/951692478.db2.gz QKMYKGGGZXMTJJ-BLVKFPJESA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575080424 951708434 /nfs/dbraw/zinc/70/84/34/951708434.db2.gz LNQJGQLHZKLUGP-BBRMVZONSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080835 951715992 /nfs/dbraw/zinc/71/59/92/951715992.db2.gz ZSOHSSCQAWWGFX-QWHCGFSZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)c1cc(F)c[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081645 951725764 /nfs/dbraw/zinc/72/57/64/951725764.db2.gz RDJTYDREMVHXKN-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575088852 951742807 /nfs/dbraw/zinc/74/28/07/951742807.db2.gz BYTNGKLRCGOWHO-UZLBHIALSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H](C)n1cccn1 ZINC001575089529 951750419 /nfs/dbraw/zinc/75/04/19/951750419.db2.gz GKLUDAFVRSNOAO-OLZOCXBDSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575089746 951753941 /nfs/dbraw/zinc/75/39/41/951753941.db2.gz IIRYAHDTNMDTKX-CWTRNNRKSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575089901 951755823 /nfs/dbraw/zinc/75/58/23/951755823.db2.gz IIAKVADUDQVSOP-DJJJIMSYSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1COc2ccccc21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090203 951758202 /nfs/dbraw/zinc/75/82/02/951758202.db2.gz JYWNDGUFYIMTHR-KDOFPFPSSA-N 1 0 392.463 1.885 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1COc2ccccc21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090206 951758992 /nfs/dbraw/zinc/75/89/92/951758992.db2.gz JYWNDGUFYIMTHR-RDTXWAMCSA-N 1 0 392.463 1.885 20 0 GDADRO C[C@H](CNC(=O)c1ccns1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090523 951760043 /nfs/dbraw/zinc/76/00/43/951760043.db2.gz LLRKPXMIEHNBTM-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](CNC(=O)c1cnns1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091224 951771972 /nfs/dbraw/zinc/77/19/72/951771972.db2.gz QEXOIOAJEWLOPG-VIFPVBQESA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C1CCC(O)CC1 ZINC001575091487 951776568 /nfs/dbraw/zinc/77/65/68/951776568.db2.gz SELCKRMPWKBBJU-GRTSSRMGSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CCCCO1 ZINC001575091473 951776870 /nfs/dbraw/zinc/77/68/70/951776870.db2.gz RYHZPVXDSOLQSA-BLLLJJGKSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092285 951793235 /nfs/dbraw/zinc/79/32/35/951793235.db2.gz BVZPTDFYIMIMSW-GFCCVEGCSA-N 1 0 380.456 1.234 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095750 951815700 /nfs/dbraw/zinc/81/57/00/951815700.db2.gz WJKYWDXEDZHBEE-GFCCVEGCSA-N 1 0 380.456 1.623 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099211 951829315 /nfs/dbraw/zinc/82/93/15/951829315.db2.gz ISDXDKOQQJVVJQ-XFJVYGCCSA-N 1 0 390.513 1.585 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1ccn(C)n1 ZINC001575099341 951831370 /nfs/dbraw/zinc/83/13/70/951831370.db2.gz KIOHAOBXIZPWKC-LBPRGKRZSA-N 1 0 388.501 1.231 20 0 GDADRO C[C@@H](CNC(=O)c1conc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575101068 951854075 /nfs/dbraw/zinc/85/40/75/951854075.db2.gz YWKMMPNNZDUYNP-SNVBAGLBSA-N 1 0 387.469 1.949 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1ccc(F)cn1 ZINC001575101677 951861253 /nfs/dbraw/zinc/86/12/53/951861253.db2.gz IHPQQFMOKIIJJX-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1nccs1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102401 951866940 /nfs/dbraw/zinc/86/69/40/951866940.db2.gz MNTYMUFVWNGNHK-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cccc1 ZINC001575102432 951869927 /nfs/dbraw/zinc/86/99/27/951869927.db2.gz NGIFFRDEEGJZGF-ZIAGYGMSSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)COCC(F)F ZINC001575104884 951889429 /nfs/dbraw/zinc/88/94/29/951889429.db2.gz GACTXHXCRTVSMU-SNVBAGLBSA-N 1 0 386.378 1.224 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1cncs1 ZINC001575104923 951890174 /nfs/dbraw/zinc/89/01/74/951890174.db2.gz HBKFPMZPDCHQLJ-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575106111 951900039 /nfs/dbraw/zinc/90/00/39/951900039.db2.gz PZVSSFGFUVIQRX-HIFRSBDPSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc2c(c1)COC2)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575106095 951900300 /nfs/dbraw/zinc/90/03/00/951900300.db2.gz PWAULBGLIJXGON-LBPRGKRZSA-N 1 0 381.440 1.475 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1cnccn1)C1CC1 ZINC001575107004 951911306 /nfs/dbraw/zinc/91/13/06/951911306.db2.gz XHOQAIYSGDUQBD-LJQANCHMSA-N 1 0 378.440 1.345 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575108376 951924425 /nfs/dbraw/zinc/92/44/25/951924425.db2.gz LUMUOPDOZHDWED-KDOFPFPSSA-N 1 0 391.479 1.613 20 0 GDADRO C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113710 951942886 /nfs/dbraw/zinc/94/28/86/951942886.db2.gz DJGDQGYPSUVRIA-ZTQAJYAQSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CC(C)(C)CO1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113728 951944966 /nfs/dbraw/zinc/94/49/66/951944966.db2.gz DSABRQBICDRPPD-ZBFHGGJFSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1ccnc1 ZINC001575113743 951945346 /nfs/dbraw/zinc/94/53/46/951945346.db2.gz FGFMQIUWLUUKIS-HUUCEWRRSA-N 1 0 382.472 1.556 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114028 951951437 /nfs/dbraw/zinc/95/14/37/951951437.db2.gz KVRCIJJVMLBRFQ-ZIAGYGMSSA-N 1 0 382.472 1.311 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575114753 951959211 /nfs/dbraw/zinc/95/92/11/951959211.db2.gz SESVDRZLPHPHBP-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001575117740 951982539 /nfs/dbraw/zinc/98/25/39/951982539.db2.gz PGRLBXLCTSYBKT-GFCCVEGCSA-N 1 0 385.476 1.302 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1csc(C2CC2)n1 ZINC001575118818 951986058 /nfs/dbraw/zinc/98/60/58/951986058.db2.gz TWEDGFMHKMLOFA-JTQLQIEISA-N 1 0 386.485 1.684 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)C[NH+]1CCCCC1 ZINC001575118886 951987880 /nfs/dbraw/zinc/98/78/80/951987880.db2.gz VFKBVLSCXTWFON-GFCCVEGCSA-N 1 0 382.465 1.406 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575145050 952177344 /nfs/dbraw/zinc/17/73/44/952177344.db2.gz OSFRGTYICCTSQU-DJJJIMSYSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575146646 952195530 /nfs/dbraw/zinc/19/55/30/952195530.db2.gz MQTQKBKSVYWBCA-JTQLQIEISA-N 1 0 388.382 1.589 20 0 GDADRO C[C@H](COCC(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1)c1ccccc1 ZINC001575178922 952409101 /nfs/dbraw/zinc/40/91/01/952409101.db2.gz QMUKIARYQYCKOX-CQSZACIVSA-N 1 0 381.440 1.032 20 0 GDADRO Cc1cncc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)c1 ZINC001571116638 952477313 /nfs/dbraw/zinc/47/73/13/952477313.db2.gz AVYDSYBEONUOKP-PIIMJCKOSA-N 1 0 375.436 1.430 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001571117363 952481642 /nfs/dbraw/zinc/48/16/42/952481642.db2.gz KFJUXLYHUFTRRL-SFHVURJKSA-N 1 0 375.452 1.873 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC([C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC001571117825 952486159 /nfs/dbraw/zinc/48/61/59/952486159.db2.gz RBFJACWFIWSRIL-CQSZACIVSA-N 1 0 375.452 1.729 20 0 GDADRO CC[C@@H](C[NH+]1CCC([C@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)OC ZINC001571118308 952487440 /nfs/dbraw/zinc/48/74/40/952487440.db2.gz VHHBKWQBZIBXSM-WFASDCNBSA-N 1 0 375.477 1.450 20 0 GDADRO CC[C@@H](SC)C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571119835 952495161 /nfs/dbraw/zinc/49/51/61/952495161.db2.gz FCTLQDWSZWMYMM-OAHLLOKOSA-N 1 0 375.502 1.476 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575200627 952496483 /nfs/dbraw/zinc/49/64/83/952496483.db2.gz DOIUVOVRBCLESQ-ZIAGYGMSSA-N 1 0 382.472 1.405 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575201059 952500785 /nfs/dbraw/zinc/50/07/85/952500785.db2.gz NFOUMPKWKDOVOA-CYBMUJFWSA-N 1 0 380.456 1.017 20 0 GDADRO CC(F)(F)CC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571120485 952506057 /nfs/dbraw/zinc/50/60/57/952506057.db2.gz NRCBTKOWDLOOTM-HUUCEWRRSA-N 1 0 376.411 1.945 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575202648 952515153 /nfs/dbraw/zinc/51/51/53/952515153.db2.gz WXXRNLMAKLCMNV-KGLIPLIRSA-N 1 0 382.472 1.405 20 0 GDADRO Cc1nsc(N[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1-c1nn[nH]n1 ZINC001571121892 952521641 /nfs/dbraw/zinc/52/16/41/952521641.db2.gz DKHFNSPORQJRDD-NSHDSACASA-N 1 0 376.490 1.129 20 0 GDADRO C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571123134 952529121 /nfs/dbraw/zinc/52/91/21/952529121.db2.gz PYEXGEDMQJFUDV-MNXVOIDGSA-N 1 0 376.486 1.338 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571123378 952529655 /nfs/dbraw/zinc/52/96/55/952529655.db2.gz QUZSLWZXEGGVBJ-CZUORRHYSA-N 1 0 376.436 1.511 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571124184 952535221 /nfs/dbraw/zinc/53/52/21/952535221.db2.gz AIOUOSWKHFYJOH-FRRDWIJNSA-N 1 0 377.399 1.699 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)C(C)(F)F ZINC001571124215 952535389 /nfs/dbraw/zinc/53/53/89/952535389.db2.gz BIPBAEGNJUGOGD-UTUOFQBUSA-N 1 0 377.399 1.448 20 0 GDADRO CC(F)(F)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCCO1 ZINC001575210298 952538923 /nfs/dbraw/zinc/53/89/23/952538923.db2.gz ARAFBNCQDFBLFK-CYBMUJFWSA-N 1 0 380.399 1.229 20 0 GDADRO CC(F)(F)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001575211180 952544480 /nfs/dbraw/zinc/54/44/80/952544480.db2.gz OQJMBLJGXPUYLA-XYYAHUGASA-N 1 0 380.374 1.455 20 0 GDADRO Cc1cc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)ccn1 ZINC001571127018 952549251 /nfs/dbraw/zinc/54/92/51/952549251.db2.gz CPQLRMOPPOUTGL-CQSZACIVSA-N 1 0 377.452 1.820 20 0 GDADRO CC(F)(F)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575212901 952554770 /nfs/dbraw/zinc/55/47/70/952554770.db2.gz NHVZWTUGOAWWOZ-NSHDSACASA-N 1 0 382.390 1.989 20 0 GDADRO Cc1ncccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571127566 952558121 /nfs/dbraw/zinc/55/81/21/952558121.db2.gz IJYOJTBMQZBQRF-MRXNPFEDSA-N 1 0 377.452 1.965 20 0 GDADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccn1 ZINC001571127625 952558309 /nfs/dbraw/zinc/55/83/09/952558309.db2.gz KCTDXWRHDHJVSH-UHFFFAOYSA-N 1 0 377.452 1.965 20 0 GDADRO CC(C)Oc1ccc(NC(=O)N(C)CC[N@H+](C)CCO)cc1-c1nn[nH]n1 ZINC001571127807 952559737 /nfs/dbraw/zinc/55/97/37/952559737.db2.gz NVSQWWNVVFFUOG-UHFFFAOYSA-N 1 0 377.449 1.042 20 0 GDADRO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1C ZINC001571128360 952565952 /nfs/dbraw/zinc/56/59/52/952565952.db2.gz RJDMRHMPOYWNLI-VQFNDLOPSA-N 1 0 377.452 1.672 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001571128421 952567091 /nfs/dbraw/zinc/56/70/91/952567091.db2.gz SZJXODOBXTVJDJ-SUMWQHHRSA-N 1 0 377.452 1.934 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575215044 952567729 /nfs/dbraw/zinc/56/77/29/952567729.db2.gz SCHAWZOOOYCTQQ-CYBMUJFWSA-N 1 0 382.415 1.115 20 0 GDADRO Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001571128962 952571920 /nfs/dbraw/zinc/57/19/20/952571920.db2.gz ZQOGEJOTGWFBFU-QGZVFWFLSA-N 1 0 377.452 1.965 20 0 GDADRO Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)n1C ZINC001571135291 952601435 /nfs/dbraw/zinc/60/14/35/952601435.db2.gz VDUCOTPEJZQDGG-XMQYKBBCSA-N 1 0 378.440 1.021 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H](C)c3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135377 952603539 /nfs/dbraw/zinc/60/35/39/952603539.db2.gz WEANAVQOHGBDOH-ZFWWWQNUSA-N 1 0 378.440 1.464 20 0 GDADRO Cc1cnc(C(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1C ZINC001571135478 952604224 /nfs/dbraw/zinc/60/42/24/952604224.db2.gz YLLQBBDWCLXRRE-HDJSIYSDSA-N 1 0 378.440 1.316 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571135573 952606120 /nfs/dbraw/zinc/60/61/20/952606120.db2.gz XGVOHAAHBBIXDJ-HNNXBMFYSA-N 1 0 378.440 1.251 20 0 GDADRO CCc1nc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571135624 952606964 /nfs/dbraw/zinc/60/69/64/952606964.db2.gz ZEBHUGZSVYJYMN-FOLVSLTJSA-N 1 0 378.440 1.012 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571135706 952608089 /nfs/dbraw/zinc/60/80/89/952608089.db2.gz BKXOHAMKIMUNJD-DGCLKSJQSA-N 1 0 378.427 1.938 20 0 GDADRO O=C(NC1CCC([NH2+]CC2CC(F)(F)C2)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571139259 952619299 /nfs/dbraw/zinc/61/92/99/952619299.db2.gz DJVDARYTHWZTBW-UHFFFAOYSA-N 1 0 379.415 1.871 20 0 GDADRO C[C@@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)c2ccccc2O)C1 ZINC001571140704 952627788 /nfs/dbraw/zinc/62/77/88/952627788.db2.gz FAFKTUCNINZOIB-IBGZPJMESA-N 1 0 379.424 1.354 20 0 GDADRO Cc1ncncc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571141058 952630740 /nfs/dbraw/zinc/63/07/40/952630740.db2.gz GFPFJICKRFLZLZ-SJKOYZFVSA-N 1 0 378.440 1.215 20 0 GDADRO Cc1ocnc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571142041 952637743 /nfs/dbraw/zinc/63/77/43/952637743.db2.gz OJZIQQDOVJDEMZ-HZPDHXFCSA-N 1 0 379.424 1.510 20 0 GDADRO O=C(c1cc(C2CC2)no1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571146933 952654644 /nfs/dbraw/zinc/65/46/44/952654644.db2.gz DEHSXMKLRFMGAU-CQSZACIVSA-N 1 0 379.424 1.736 20 0 GDADRO Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1C ZINC001571150832 952670240 /nfs/dbraw/zinc/67/02/40/952670240.db2.gz GOTWRFRWUFUBOP-QGZVFWFLSA-N 1 0 379.468 1.908 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)c2cccn2C)C1 ZINC001571151213 952673574 /nfs/dbraw/zinc/67/35/74/952673574.db2.gz NHFNDDRNPQQZHK-PBHICJAKSA-N 1 0 379.468 1.846 20 0 GDADRO O=C(N[C@@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2)C1CC2(CC2)C1 ZINC001571151614 952676335 /nfs/dbraw/zinc/67/63/35/952676335.db2.gz RTISRVAKXBLOPA-MRXNPFEDSA-N 1 0 379.468 1.927 20 0 GDADRO O=C([C@@H]1CC1(F)F)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571153921 952688222 /nfs/dbraw/zinc/68/82/22/952688222.db2.gz VOKFFHGGGAFPAH-STQMWFEESA-N 1 0 380.374 1.742 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571157908 952708098 /nfs/dbraw/zinc/70/80/98/952708098.db2.gz CJAOCOPDIFQFMA-MEBBXXQBSA-N 1 0 380.412 1.122 20 0 GDADRO Cc1cc(N[C@H]2C[C@@H](NC(=O)c3conc3C3CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571159514 952719450 /nfs/dbraw/zinc/71/94/50/952719450.db2.gz XDQNQOJZGWRSJP-TXEJJXNPSA-N 1 0 380.412 1.230 20 0 GDADRO Cc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2C)o1 ZINC001571165652 952753847 /nfs/dbraw/zinc/75/38/47/952753847.db2.gz HJNMUYMWHMUPPX-FZKQIMNGSA-N 1 0 380.452 1.947 20 0 GDADRO CCc1nc[nH]c1C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571165862 952756211 /nfs/dbraw/zinc/75/62/11/952756211.db2.gz HXEAZKXEXPKHOL-SWLSCSKDSA-N 1 0 380.456 1.545 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1NC(=O)Cn1cccn1 ZINC001571166911 952766562 /nfs/dbraw/zinc/76/65/62/952766562.db2.gz RLBLRKWTBGESFM-INIZCTEOSA-N 1 0 380.456 1.090 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001571166902 952766968 /nfs/dbraw/zinc/76/69/68/952766968.db2.gz RJBFDAMWBBDKMM-SUMWQHHRSA-N 1 0 380.456 1.094 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2cncn2C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571166987 952767834 /nfs/dbraw/zinc/76/78/34/952767834.db2.gz RWXAWZWCOVOYAX-BBRMVZONSA-N 1 0 380.456 1.383 20 0 GDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001571167067 952768902 /nfs/dbraw/zinc/76/89/02/952768902.db2.gz UWKCMVAAYLEISZ-AWEZNQCLSA-N 1 0 380.456 1.405 20 0 GDADRO CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001571167203 952771477 /nfs/dbraw/zinc/77/14/77/952771477.db2.gz YCEQREWCAKTCMW-INIZCTEOSA-N 1 0 380.456 1.635 20 0 GDADRO Cc1[nH]nc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)c1C ZINC001571169458 952774056 /nfs/dbraw/zinc/77/40/56/952774056.db2.gz CYLJKWOMDKMKFE-OAHLLOKOSA-N 1 0 380.456 1.601 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)Cc3ccc[nH]3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169542 952775097 /nfs/dbraw/zinc/77/50/97/952775097.db2.gz GNLSURUAVAHPAN-DZGCQCFKSA-N 1 0 380.456 1.614 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)[C@@H](C)C2)n1 ZINC001571169612 952776234 /nfs/dbraw/zinc/77/62/34/952776234.db2.gz HZUSXFQUHSKYIK-DZGCQCFKSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1nc[nH]c1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169761 952778601 /nfs/dbraw/zinc/77/86/01/952778601.db2.gz MFWMKPHNUMEKAZ-CQSZACIVSA-N 1 0 380.456 1.540 20 0 GDADRO Cc1cn(C)nc1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169725 952778687 /nfs/dbraw/zinc/77/86/87/952778687.db2.gz LHBZBKMUFRIHJE-INIZCTEOSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1ccnn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169756 952778730 /nfs/dbraw/zinc/77/87/30/952778730.db2.gz MBYGOKDDJDLEKD-QGZVFWFLSA-N 1 0 380.456 1.105 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC001571169883 952780827 /nfs/dbraw/zinc/78/08/27/952780827.db2.gz PSBMOJSWOZAHHY-XJKSGUPXSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)n1C ZINC001571170062 952782878 /nfs/dbraw/zinc/78/28/78/952782878.db2.gz RVXKGMLQNJYXAR-AWEZNQCLSA-N 1 0 380.456 1.616 20 0 GDADRO Cc1ccnn1CC(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571170075 952783043 /nfs/dbraw/zinc/78/30/43/952783043.db2.gz SCVZYAZPYHKVOO-GUYCJALGSA-N 1 0 380.456 1.008 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571170141 952784022 /nfs/dbraw/zinc/78/40/22/952784022.db2.gz UBUHOSWWJAAZTJ-WKILWMFISA-N 1 0 380.456 1.729 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571170624 952786763 /nfs/dbraw/zinc/78/67/63/952786763.db2.gz XKMULQVTQIDCIV-GDBMZVCRSA-N 1 0 380.456 1.587 20 0 GDADRO Cc1[nH]nc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1C ZINC001571170590 952787496 /nfs/dbraw/zinc/78/74/96/952787496.db2.gz XCCKXJMVTHFEQE-OAHLLOKOSA-N 1 0 380.456 1.459 20 0 GDADRO CN(CC1CCN(C(=O)Cc2ccc[nH]2)CC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571170840 952789709 /nfs/dbraw/zinc/78/97/09/952789709.db2.gz XKVHVODSHZABER-UHFFFAOYSA-N 1 0 380.456 1.507 20 0 GDADRO Cc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C ZINC001571172329 952805448 /nfs/dbraw/zinc/80/54/48/952805448.db2.gz SSFVHJFWDGEVDY-BLLLJJGKSA-N 1 0 380.456 1.396 20 0 GDADRO O[C@@H](C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)c1cccc(-c2nn[nH]n2)c1 ZINC001571172575 952808252 /nfs/dbraw/zinc/80/82/52/952808252.db2.gz XOVNFRJYWFVZQW-CVEARBPZSA-N 1 0 380.456 1.317 20 0 GDADRO C[C@H]1CN(C(=O)c2ccccn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571178235 952837077 /nfs/dbraw/zinc/83/70/77/952837077.db2.gz CDISHFBBHTWOAE-YVEFUNNKSA-N 1 0 381.415 1.651 20 0 GDADRO C[C@H]1CN(C(=O)c2ccncc2)C[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571178575 952843353 /nfs/dbraw/zinc/84/33/53/952843353.db2.gz NJNUAYPFSGKIPZ-YVEFUNNKSA-N 1 0 381.415 1.651 20 0 GDADRO C[C@H]1CN(C(=O)c2ccccn2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571178874 952849665 /nfs/dbraw/zinc/84/96/65/952849665.db2.gz WWBWIDJAPASZMN-YVEFUNNKSA-N 1 0 381.415 1.651 20 0 GDADRO Cc1ocnc1C(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571179922 952856571 /nfs/dbraw/zinc/85/65/71/952856571.db2.gz KHBJPNPDFRIPDG-IUODEOHRSA-N 1 0 381.440 1.804 20 0 GDADRO Cc1ccc(CC(=O)NC2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)o1 ZINC001571180257 952859413 /nfs/dbraw/zinc/85/94/13/952859413.db2.gz NWQCMTOZMCMGLM-UHFFFAOYSA-N 1 0 381.440 1.667 20 0 GDADRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571182791 952868799 /nfs/dbraw/zinc/86/87/99/952868799.db2.gz FTGKSEFZMOEGCH-ZBFHGGJFSA-N 1 0 381.440 1.699 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001571182952 952870418 /nfs/dbraw/zinc/87/04/18/952870418.db2.gz KMIZMFRUJSRFON-XJKSGUPXSA-N 1 0 381.440 1.424 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cocn2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571183003 952871643 /nfs/dbraw/zinc/87/16/43/952871643.db2.gz LXGXNBXORNGDBW-GDBMZVCRSA-N 1 0 381.440 1.885 20 0 GDADRO COc1cccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571183007 952871830 /nfs/dbraw/zinc/87/18/30/952871830.db2.gz LXRQHJJEPVOUHC-DOMZBBRYSA-N 1 0 381.440 1.769 20 0 GDADRO CCc1nc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)co1 ZINC001571182967 952871976 /nfs/dbraw/zinc/87/19/76/952871976.db2.gz KZGJWNPDTUREQS-OAHLLOKOSA-N 1 0 381.440 1.812 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3F)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571183058 952872721 /nfs/dbraw/zinc/87/27/21/952872721.db2.gz NARUDWOQNODPGF-PIGZYNQJSA-N 1 0 381.415 1.826 20 0 GDADRO CCc1oncc1C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC001571183277 952875414 /nfs/dbraw/zinc/87/54/14/952875414.db2.gz VDKIJXHSHOLLTO-TZMCWYRMSA-N 1 0 381.440 1.810 20 0 GDADRO COc1ccc(C)cc1C[NH+]1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571183340 952876415 /nfs/dbraw/zinc/87/64/15/952876415.db2.gz XPLXIIQIEYAMSO-UHFFFAOYSA-N 1 0 381.440 1.374 20 0 GDADRO COc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571183292 952876494 /nfs/dbraw/zinc/87/64/94/952876494.db2.gz WAFDRACOXSSESZ-AWEZNQCLSA-N 1 0 381.440 1.550 20 0 GDADRO CC(C)c1ocnc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571183284 952876904 /nfs/dbraw/zinc/87/69/04/952876904.db2.gz VMEVRGIKPPAPNU-AWEZNQCLSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001571184338 952892184 /nfs/dbraw/zinc/89/21/84/952892184.db2.gz WUVFWTJHWJSGIW-ZDUSSCGKSA-N 1 0 381.444 1.295 20 0 GDADRO O=C(NC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001571191210 952945241 /nfs/dbraw/zinc/94/52/41/952945241.db2.gz OHYFIXJEVVEBPM-ROUUACIJSA-N 1 0 381.484 1.184 20 0 GDADRO C[C@@H]1CN(C(=O)C(F)F)CC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571194090 952956883 /nfs/dbraw/zinc/95/68/83/952956883.db2.gz IKSJBEVJISFZDB-ZYHUDNBSSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)(F)F ZINC001571194253 952959313 /nfs/dbraw/zinc/95/93/13/952959313.db2.gz KMDGAZYCMPMLKT-MFKMUULPSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccnnc1 ZINC001571196001 952978809 /nfs/dbraw/zinc/97/88/09/952978809.db2.gz GOHBBORWKWIBKE-BZNIZROVSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)c2cncc(F)c2)C1 ZINC001571196967 952986421 /nfs/dbraw/zinc/98/64/21/952986421.db2.gz QXNOWAIFOJKHCJ-GOSISDBHSA-N 1 0 382.403 1.182 20 0 GDADRO C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccon1 ZINC001571199779 953003966 /nfs/dbraw/zinc/00/39/66/953003966.db2.gz BRKFMVMZYVHCNN-TZMCWYRMSA-N 1 0 382.428 1.096 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cnon2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571201470 953018839 /nfs/dbraw/zinc/01/88/39/953018839.db2.gz QIXQJWVCJHVEGV-DOMZBBRYSA-N 1 0 382.428 1.138 20 0 GDADRO Cc1cc(NCC[C@@H]2CCCN(C(=O)c3cocn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571201985 953021633 /nfs/dbraw/zinc/02/16/33/953021633.db2.gz PSYNIRSQBJSCQI-ZDUSSCGKSA-N 1 0 382.428 1.334 20 0 GDADRO Cc1cc(N[C@H]2CC[C@H](NC(=O)Cc3cnoc3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571202803 953029014 /nfs/dbraw/zinc/02/90/14/953029014.db2.gz YXGOHRITNYDPQC-HDJSIYSDSA-N 1 0 382.428 1.062 20 0 GDADRO O=C(C[C@H]1CCOC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571209759 953066813 /nfs/dbraw/zinc/06/68/13/953066813.db2.gz CVXACEDMVCXDKA-OIISXLGYSA-N 1 0 382.468 1.469 20 0 GDADRO O=C(NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571209826 953068242 /nfs/dbraw/zinc/06/82/42/953068242.db2.gz FUAKABGCGIUUOZ-DDBAPUKQSA-N 1 0 382.468 1.372 20 0 GDADRO O=C([C@H]1CCCOC1)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571210622 953073311 /nfs/dbraw/zinc/07/33/11/953073311.db2.gz URECUZOMQOLOJJ-SOLBZPMBSA-N 1 0 382.468 1.326 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571210894 953075579 /nfs/dbraw/zinc/07/55/79/953075579.db2.gz ZPAWWMCUQCCVSO-TYSCBYDLSA-N 1 0 382.443 1.598 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571211548 953078008 /nfs/dbraw/zinc/07/80/08/953078008.db2.gz BEZCGKIOLSNCFF-VIPLHTEESA-N 1 0 382.468 1.563 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)c1cnco1 ZINC001571217569 953109255 /nfs/dbraw/zinc/10/92/55/953109255.db2.gz NTKCYOJNQSDAJR-ZSOGYDGISA-N 1 0 383.387 1.102 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1ccc(=O)[nH]c1 ZINC001571218519 953115666 /nfs/dbraw/zinc/11/56/66/953115666.db2.gz WMOIGZMGISBRNK-AWEZNQCLSA-N 1 0 383.387 1.111 20 0 GDADRO Cn1cccc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571229367 953169107 /nfs/dbraw/zinc/16/91/07/953169107.db2.gz CVOMQAZVALZGMD-HDJSIYSDSA-N 1 0 383.431 1.643 20 0 GDADRO Cc1ccn(C)c1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571230063 953173520 /nfs/dbraw/zinc/17/35/20/953173520.db2.gz RRKHJRPHNDDVGQ-OAHLLOKOSA-N 1 0 383.431 1.657 20 0 GDADRO Cc1cc(N2CCOC[C@H]2CNC(=O)C2CC3(CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232110 953186321 /nfs/dbraw/zinc/18/63/21/953186321.db2.gz BHKVBEMZZPWJLR-CQSZACIVSA-N 1 0 383.456 1.082 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1nccs1 ZINC001571233946 953197624 /nfs/dbraw/zinc/19/76/24/953197624.db2.gz IXJPAFQDFXEFAL-UHFFFAOYSA-N 1 0 383.481 1.965 20 0 GDADRO CCc1ncsc1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234074 953198320 /nfs/dbraw/zinc/19/83/20/953198320.db2.gz MOPJTGRWZDTYHW-AWEZNQCLSA-N 1 0 383.481 1.890 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001571238811 953232823 /nfs/dbraw/zinc/23/28/23/953232823.db2.gz AJLVLGPAJTWEBK-RISCZKNCSA-N 1 0 384.419 1.369 20 0 GDADRO C[C@@H]([NH2+]Cc1cncc(F)c1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571239199 953236944 /nfs/dbraw/zinc/23/69/44/953236944.db2.gz HOIUTEHGRIBKRM-DGCLKSJQSA-N 1 0 384.419 1.369 20 0 GDADRO CCn1cnc(C(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)c1 ZINC001571239377 953238436 /nfs/dbraw/zinc/23/84/36/953238436.db2.gz JUTTWXKFDPZQLJ-AWEZNQCLSA-N 1 0 384.419 1.227 20 0 GDADRO Cc1c[nH]c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)n1 ZINC001571239699 953242017 /nfs/dbraw/zinc/24/20/17/953242017.db2.gz QITMGGKRMMGCTL-ZDUSSCGKSA-N 1 0 384.419 1.384 20 0 GDADRO Cc1ncn(C)c1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571241647 953248163 /nfs/dbraw/zinc/24/81/63/953248163.db2.gz HGFJNMGYIVVYDS-CQSZACIVSA-N 1 0 384.419 1.052 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ncc[nH]1 ZINC001571241691 953249071 /nfs/dbraw/zinc/24/90/71/953249071.db2.gz IQMMYMXFFNMPQL-HIFRSBDPSA-N 1 0 384.419 1.417 20 0 GDADRO O=C(Cc1cc[nH]n1)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571241757 953249681 /nfs/dbraw/zinc/24/96/81/953249681.db2.gz KSYGWFZCEHCYNZ-AWEZNQCLSA-N 1 0 384.419 1.052 20 0 GDADRO Cn1nccc1C(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001571242010 953252118 /nfs/dbraw/zinc/25/21/18/953252118.db2.gz STENXWHLJKHNJW-UHFFFAOYSA-N 1 0 384.419 1.134 20 0 GDADRO CCc1noc(C)c1C[NH+]1CCC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571242304 953255283 /nfs/dbraw/zinc/25/52/83/953255283.db2.gz CUWAUMYCGOCVAM-UHFFFAOYSA-N 1 0 384.444 1.448 20 0 GDADRO CC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1[NH2+]Cc1ncc(C)o1 ZINC001571243163 953263488 /nfs/dbraw/zinc/26/34/88/953263488.db2.gz XQUIVCGMZDVVSQ-OCCSQVGLSA-N 1 0 384.444 1.522 20 0 GDADRO CN(C(=O)Cc1cncs1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571244731 953266439 /nfs/dbraw/zinc/26/64/39/953266439.db2.gz GUYOMEKVZKGJQD-UHFFFAOYSA-N 1 0 384.469 1.388 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](C)C2)oc1C ZINC001571247542 953283706 /nfs/dbraw/zinc/28/37/06/953283706.db2.gz ALUUYSYCMBMJAI-HZMBPMFUSA-N 1 0 384.444 1.583 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c(C)n1 ZINC001571248007 953289205 /nfs/dbraw/zinc/28/92/05/953289205.db2.gz LDUSOKPAMYZKLU-LBPRGKRZSA-N 1 0 384.469 1.339 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H]2[C@H]1CCN2Cc1ccns1 ZINC001571248208 953290693 /nfs/dbraw/zinc/29/06/93/953290693.db2.gz NKFMVPBOHOAZLC-LSDHHAIUSA-N 1 0 384.469 1.530 20 0 GDADRO Cc1nnsc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571248372 953292113 /nfs/dbraw/zinc/29/21/13/953292113.db2.gz RWGJPJQICGSEBY-ZDUSSCGKSA-N 1 0 384.469 1.421 20 0 GDADRO Cc1nnccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571248340 953292348 /nfs/dbraw/zinc/29/23/48/953292348.db2.gz QUWKTTAZRNSMOD-GFCCVEGCSA-N 1 0 384.469 1.421 20 0 GDADRO O=C(Cc1cscn1)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571248391 953292582 /nfs/dbraw/zinc/29/25/82/953292582.db2.gz SEXGBDOFNLBCJC-CYBMUJFWSA-N 1 0 384.469 1.176 20 0 GDADRO Cc1noc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571248597 953295046 /nfs/dbraw/zinc/29/50/46/953295046.db2.gz HKFDUMVZVLALPT-CHWSQXEVSA-N 1 0 384.444 1.488 20 0 GDADRO C[C@H](CC(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571248705 953296075 /nfs/dbraw/zinc/29/60/75/953296075.db2.gz YBIXQKNEFOOKGO-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1C ZINC001571249686 953306971 /nfs/dbraw/zinc/30/69/71/953306971.db2.gz KJCXSFORGDLZAP-BMFZPTHFSA-N 1 0 384.488 1.075 20 0 GDADRO O=C([C@H]1CCCCO1)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571250219 953308844 /nfs/dbraw/zinc/30/88/44/953308844.db2.gz OMHGHLHHHMGZJE-SJLPKXTDSA-N 1 0 384.484 1.907 20 0 GDADRO CC(C)(C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCC1 ZINC001571250520 953311815 /nfs/dbraw/zinc/31/18/15/953311815.db2.gz QKIAKFJGWPSBOR-OAHLLOKOSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCOC1)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571251103 953314782 /nfs/dbraw/zinc/31/47/82/953314782.db2.gz VYOPICFYWJSPOR-YOEHRIQHSA-N 1 0 384.484 1.620 20 0 GDADRO Cc1cnc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C)o1 ZINC001571251190 953315584 /nfs/dbraw/zinc/31/55/84/953315584.db2.gz RTSLAUAESXXVTE-YPMHNXCESA-N 1 0 384.444 1.379 20 0 GDADRO Cc1nc(C)c(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571251185 953315928 /nfs/dbraw/zinc/31/59/28/953315928.db2.gz RTLMQJHHEGHDNE-ZDUSSCGKSA-N 1 0 384.444 1.584 20 0 GDADRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CCC3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC001571251433 953317893 /nfs/dbraw/zinc/31/78/93/953317893.db2.gz XNCPPHDMTIANLG-CZUORRHYSA-N 1 0 384.484 1.860 20 0 GDADRO CN(C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(-c2nn[nH]n2)cn1 ZINC001571252132 953323877 /nfs/dbraw/zinc/32/38/77/953323877.db2.gz IFQXRQYXZBBASX-CVEARBPZSA-N 1 0 384.488 1.173 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001571252441 953328216 /nfs/dbraw/zinc/32/82/16/953328216.db2.gz MPJNTXZADAIYGY-ORIJERBGSA-N 1 0 384.488 1.251 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NC2CC(CNC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001571252773 953332861 /nfs/dbraw/zinc/33/28/61/953332861.db2.gz WEZHUBGIKQLCRH-UHFFFAOYSA-N 1 0 384.488 1.219 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3cc(F)ccc3F)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571254335 953338403 /nfs/dbraw/zinc/33/84/03/953338403.db2.gz BWIOEQRUUQUBFC-GFCCVEGCSA-N 1 0 385.378 1.597 20 0 GDADRO O=C(Cc1cnoc1)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571254393 953338645 /nfs/dbraw/zinc/33/86/45/953338645.db2.gz GFICHLDDAJQFJN-AWEZNQCLSA-N 1 0 385.403 1.317 20 0 GDADRO Cc1cnoc1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571255179 953346304 /nfs/dbraw/zinc/34/63/04/953346304.db2.gz MCGSHDQZYMSEGB-XHDPSFHLSA-N 1 0 385.403 1.553 20 0 GDADRO Cc1cnoc1C(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571255215 953347101 /nfs/dbraw/zinc/34/71/01/953347101.db2.gz MUPZSDQQKXMHFH-GFCCVEGCSA-N 1 0 385.403 1.554 20 0 GDADRO CN(C(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001593677292 953940263 /nfs/dbraw/zinc/94/02/63/953940263.db2.gz BZADFCCCVODRCJ-UHFFFAOYSA-N 1 0 394.438 1.594 20 0 GDADRO CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)CC1 ZINC001603068476 972135174 /nfs/dbraw/zinc/13/51/74/972135174.db2.gz PCXVMWLAWRASPA-QZTJIDSGSA-N 1 0 377.533 1.326 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001592268918 977525692 /nfs/dbraw/zinc/52/56/92/977525692.db2.gz OISJBQJDCYWERF-WMLDXEAASA-N 1 0 375.469 1.850 20 0 GDADRO CCC(CC)[NH2+]CCNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001595121562 979493043 /nfs/dbraw/zinc/49/30/43/979493043.db2.gz SZTQDZGRDJQRJJ-UHFFFAOYSA-N 1 0 391.516 1.793 20 0 GDADRO C[C@@](Cn1cccn1)([NH2+]Cc1ccc(OCCN2CCOCC2)cc1)C(=O)[O-] ZINC000905809686 981161673 /nfs/dbraw/zinc/16/16/73/981161673.db2.gz ZCZRGTOCEAGBFJ-FQEVSTJZSA-N 1 0 388.468 1.227 20 0 GDADRO CC[NH+]1CCN(c2ncnc(N3CC[N@@H+](CC)[C@H](C)C3)c2C(=O)[O-])C[C@H]1C ZINC001596442334 984136085 /nfs/dbraw/zinc/13/60/85/984136085.db2.gz ILJYJPTZMOQZBB-HUUCEWRRSA-N 1 0 376.505 1.236 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001594514740 985852801 /nfs/dbraw/zinc/85/28/01/985852801.db2.gz BRZXWMUUQDYVMH-HKUYNNGSSA-N 1 0 388.512 1.841 20 0 GDADRO C[NH+](C)[C@H]1CCN(c2ccc(NC3CC[NH+](CCCC(=O)[O-])CC3)nc2)C1 ZINC001598193620 990795842 /nfs/dbraw/zinc/79/58/42/990795842.db2.gz JWDKIPMSNRSAKS-SFHVURJKSA-N 1 0 375.517 1.963 20 0 GDADRO C[N@@H+]1CCN(C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H](C(=O)[O-])C1 ZINC001598609596 993740996 /nfs/dbraw/zinc/74/09/96/993740996.db2.gz MIVSSHGSNIWPSA-RBUKOAKNSA-N 1 0 388.512 1.699 20 0 GDADRO C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCn4nc(C(=O)[O-])cc43)cc2)CC1 ZINC001598619978 993986459 /nfs/dbraw/zinc/98/64/59/993986459.db2.gz VPIYFTIKUTWWBJ-SFHVURJKSA-N 1 0 383.496 1.953 20 0 GDADRO CO[C@@]1(C(=O)[O-])CC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001599076934 996894272 /nfs/dbraw/zinc/89/42/72/996894272.db2.gz TXOZFUGYZVDTIO-KKSFZXQISA-N 1 0 389.496 1.331 20 0 GDADRO COc1cc(OC)cc([C@@H](C(=O)[O-])[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC001599451057 998101119 /nfs/dbraw/zinc/10/11/19/998101119.db2.gz RVQMYUAHTABBHC-IBGZPJMESA-N 1 0 377.485 1.541 20 0 GDADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000466914723 1126094322 /nfs/dbraw/zinc/09/43/22/1126094322.db2.gz ZBFSQFRBLVUOSQ-MOPGFXCFSA-N 1 0 377.510 1.418 20 0 GDADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000631236119 1126101771 /nfs/dbraw/zinc/10/17/71/1126101771.db2.gz AQOVRGYEESLWID-OAQYLSRUSA-N 1 0 385.512 1.320 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc(C3OCCO3)s2)[C@H](O)C1 ZINC000865745769 1126116094 /nfs/dbraw/zinc/11/60/94/1126116094.db2.gz HKXFYCFYFSWPPV-QWHCGFSZSA-N 1 0 385.486 1.648 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)cc1OC ZINC000873192555 1126120656 /nfs/dbraw/zinc/12/06/56/1126120656.db2.gz GZBNLDUODJTVKQ-OXQOHEQNSA-N 1 0 390.484 1.415 20 0 GDADRO CN(CC[NH2+]Cc1c[nH]nc1-c1cccnc1)S(=O)(=O)c1cccs1 ZINC000158351820 530531858 /nfs/dbraw/zinc/53/18/58/530531858.db2.gz NJLWKHAYCGXEIS-UHFFFAOYSA-N 1 0 377.495 1.944 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)ccc1Br ZINC000158909103 530536872 /nfs/dbraw/zinc/53/68/72/530536872.db2.gz RXNRCYDBJBSZHN-LBPRGKRZSA-N 1 0 395.294 1.713 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1cc(C(F)(F)F)ccc1F ZINC000159001912 530538503 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CC1(C)CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CCS1(=O)=O ZINC000162981160 530572355 /nfs/dbraw/zinc/57/23/55/530572355.db2.gz ABNPVXYSBWICTC-UHFFFAOYSA-N 1 0 382.551 1.885 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC[N@@H+]1C ZINC000164251387 530579050 /nfs/dbraw/zinc/57/90/50/530579050.db2.gz CRPHUYWCQRNPMJ-NXEZZACHSA-N 1 0 377.869 1.681 20 0 GDADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000166326533 530582663 /nfs/dbraw/zinc/58/26/63/530582663.db2.gz CENRWFJESJJSEI-UHFFFAOYSA-N 1 0 388.555 1.833 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000170855903 530590204 /nfs/dbraw/zinc/59/02/04/530590204.db2.gz SYWPTKJGLYAIPJ-LLVKDONJSA-N 1 0 380.242 1.208 20 0 GDADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(I)cc2)C1 ZINC000170991562 530592373 /nfs/dbraw/zinc/59/23/73/530592373.db2.gz GJVIJFLEJGADFZ-LLVKDONJSA-N 1 0 394.278 1.911 20 0 GDADRO CC(C)(O)C[NH+]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000171153559 530595130 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CS(=O)(=O)[C@H]1CSCCN1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173008075 530620894 /nfs/dbraw/zinc/62/08/94/530620894.db2.gz VETIHAZEKCULLT-SJORKVTESA-N 1 0 382.551 1.845 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NCCCNS(=O)(=O)CC)c1ccsc1 ZINC000051684583 530680777 /nfs/dbraw/zinc/68/07/77/530680777.db2.gz NBEJJMYIJMTXTI-OAHLLOKOSA-N 1 0 390.575 1.760 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000174473837 530649153 /nfs/dbraw/zinc/64/91/53/530649153.db2.gz SEKWBWUEYLDUBV-KBPBESRZSA-N 1 0 387.933 1.807 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174645771 530652251 /nfs/dbraw/zinc/65/22/51/530652251.db2.gz VGQXTEOVJYDHOV-TZMCWYRMSA-N 1 0 399.333 1.827 20 0 GDADRO CC1CC[NH+](CCNC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000046955870 530654980 /nfs/dbraw/zinc/65/49/80/530654980.db2.gz SPXCOUPPDRPPLX-UHFFFAOYSA-N 1 0 385.555 1.994 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000175084005 530658765 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C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000053285541 530691831 /nfs/dbraw/zinc/69/18/31/530691831.db2.gz MIWIVTZRQXMQPS-AWEZNQCLSA-N 1 0 387.571 1.834 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)CCOCC1 ZINC000176846550 530692652 /nfs/dbraw/zinc/69/26/52/530692652.db2.gz WUBBYBCQYMOHKT-UHFFFAOYSA-N 1 0 375.803 1.784 20 0 GDADRO C[N@@H+]1CCCN(C(=O)c2cccn3c(I)cnc23)CC1 ZINC000177098054 530697073 /nfs/dbraw/zinc/69/70/73/530697073.db2.gz VQYLXEARVSUJPI-UHFFFAOYSA-N 1 0 384.221 1.717 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2cccnc2Br)C1 ZINC000178148034 530717084 /nfs/dbraw/zinc/71/70/84/530717084.db2.gz TVBJLTQLJYXVEZ-CYBMUJFWSA-N 1 0 386.290 1.696 20 0 GDADRO CC(=O)NCCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000056550308 530719286 /nfs/dbraw/zinc/71/92/86/530719286.db2.gz GMNISDWTGBCUOB-UHFFFAOYSA-N 1 0 385.306 1.658 20 0 GDADRO O=S(=O)(C[C@@H]1CCOC1)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000178396506 530720059 /nfs/dbraw/zinc/72/00/59/530720059.db2.gz RCDVITDUWNOYOJ-OAHLLOKOSA-N 1 0 387.933 1.418 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NCC2([NH+](C)C)CCCCC2)s1 ZINC000061020403 530738640 /nfs/dbraw/zinc/73/86/40/530738640.db2.gz KHBCNCUVXGVZJW-UHFFFAOYSA-N 1 0 388.559 1.720 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1COc2ccc(Br)cc21 ZINC000179371686 530739406 /nfs/dbraw/zinc/73/94/06/530739406.db2.gz FQAOAAOONHLCCB-UKRRQHHQSA-N 1 0 383.286 1.888 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)COc2ccc(F)cc2Br)CC1 ZINC000061524649 530741120 /nfs/dbraw/zinc/74/11/20/530741120.db2.gz VXKGPGHHQDWMAT-UHFFFAOYSA-N 1 0 388.281 1.721 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000179533139 530743367 /nfs/dbraw/zinc/74/33/67/530743367.db2.gz JMDHCSLIHIGLKY-OAHLLOKOSA-N 1 0 382.262 1.072 20 0 GDADRO CCN(CCCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)S(C)(=O)=O ZINC000057148665 530723996 /nfs/dbraw/zinc/72/39/96/530723996.db2.gz RWUOGASTJHZYCO-MRXNPFEDSA-N 1 0 376.567 1.468 20 0 GDADRO C[C@H](CC(=O)N(C)C)[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000179556686 530744323 /nfs/dbraw/zinc/74/43/23/530744323.db2.gz VGHUGFWFCCLKAY-LLVKDONJSA-N 1 0 382.404 1.815 20 0 GDADRO O=C(CCCS(=O)(=O)c1ccc(Br)cc1)NC[C@H]1CCC[NH2+]1 ZINC000178760651 530727621 /nfs/dbraw/zinc/72/76/21/530727621.db2.gz QQBYTWXJRUCYCW-CYBMUJFWSA-N 1 0 389.315 1.871 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000178936075 530731326 /nfs/dbraw/zinc/73/13/26/530731326.db2.gz GVENXCAHKQSBPO-JTQLQIEISA-N 1 0 391.287 1.514 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)c1cc(Cn2cc(Br)cn2)on1 ZINC000178980884 530733002 /nfs/dbraw/zinc/73/30/02/530733002.db2.gz KOIKPXAHBMEIQC-UHFFFAOYSA-N 1 0 382.262 1.898 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccnc2Br)C1 ZINC000179805839 530750837 /nfs/dbraw/zinc/75/08/37/530750837.db2.gz PRXZCLXPJICPGY-GFCCVEGCSA-N 1 0 383.290 1.973 20 0 GDADRO C[NH+]1CCC(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)CC1 ZINC000179902160 530752476 /nfs/dbraw/zinc/75/24/76/530752476.db2.gz UGVTZRUEUXUNCW-UHFFFAOYSA-N 1 0 387.571 1.825 20 0 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GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000103204420 530833248 /nfs/dbraw/zinc/83/32/48/530833248.db2.gz MJDQFRNNZMBOST-UHFFFAOYSA-N 1 0 396.285 1.535 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1Cl ZINC000103162582 530833457 /nfs/dbraw/zinc/83/34/57/530833457.db2.gz RWMRCTGHVWNBQW-UHFFFAOYSA-N 1 0 385.917 1.577 20 0 GDADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)CN3C(=O)COc4cc(Br)ccc43)C[C@@H]12 ZINC000184995823 530834556 /nfs/dbraw/zinc/83/45/56/530834556.db2.gz FNCRZUUULDHIER-RTXFEEFZSA-N 1 0 394.269 1.370 20 0 GDADRO C[NH+](C)CC1(CNC(=O)NCCNS(=O)(=O)c2cccs2)CCCC1 ZINC000185051985 530835888 /nfs/dbraw/zinc/83/58/88/530835888.db2.gz ZRGAXUUUQGHZHW-UHFFFAOYSA-N 1 0 388.559 1.448 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N(CC[NH+](C)C)CC(C)C)s1 ZINC000079044903 530808080 /nfs/dbraw/zinc/80/80/80/530808080.db2.gz DYFRCPPGTJBDNW-UHFFFAOYSA-N 1 0 376.548 1.385 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)s1 ZINC000183120698 530810074 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COC(=O)c1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(Br)o1 ZINC000184097287 530824487 /nfs/dbraw/zinc/82/44/87/530824487.db2.gz VUQWTZYGPQHDAP-UHFFFAOYSA-N 1 0 397.291 1.695 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(I)c[nH]1 ZINC000184077836 530824735 /nfs/dbraw/zinc/82/47/35/530824735.db2.gz OMNUZTNNHMMACI-LLVKDONJSA-N 1 0 390.269 1.375 20 0 GDADRO CC(C)(C)[C@@H](NCC(=O)Nc1cccc(I)c1)C(N)=O ZINC000106445007 530847774 /nfs/dbraw/zinc/84/77/74/530847774.db2.gz XVCXVZRURCMFPQ-LBPRGKRZSA-N 1 0 389.237 1.719 20 0 GDADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000186030188 530850288 /nfs/dbraw/zinc/85/02/88/530850288.db2.gz HAJBJNMCKUFSDW-IAGOWNOFSA-N 1 0 386.539 1.672 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000106895404 530851638 /nfs/dbraw/zinc/85/16/38/530851638.db2.gz DTGJIWHQFXTXMZ-LLVKDONJSA-N 1 0 396.340 1.916 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000186706235 530860225 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1 0 378.416 1.734 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000187196708 530869058 /nfs/dbraw/zinc/86/90/58/530869058.db2.gz DQVQPLRSWHMROT-JTQLQIEISA-N 1 0 378.292 1.305 20 0 GDADRO COc1c(Br)c(C)sc1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000187261370 530869667 /nfs/dbraw/zinc/86/96/67/530869667.db2.gz QOZVEVSQYWFWJF-SECBINFHSA-N 1 0 377.304 1.966 20 0 GDADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000187335785 530871564 /nfs/dbraw/zinc/87/15/64/530871564.db2.gz AINGXDFCICGVSO-LBPRGKRZSA-N 1 0 394.946 1.505 20 0 GDADRO C[N@H+](CCCO)C1CCN([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000115547838 530900275 /nfs/dbraw/zinc/90/02/75/530900275.db2.gz QMEWYDDVHVYKDE-INIZCTEOSA-N 1 0 384.318 1.754 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNCc1ccc(Br)cc1N1CCOCC1 ZINC000188758725 530900871 /nfs/dbraw/zinc/90/08/71/530900871.db2.gz FKSOHTILKYFUMI-KRWDZBQOSA-N 1 0 386.334 1.688 20 0 GDADRO C[NH+]1CCC(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000116533896 530905557 /nfs/dbraw/zinc/90/55/57/530905557.db2.gz UGWCTNVXNOBDFI-UHFFFAOYSA-N 1 0 396.285 1.633 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000112361426 530881075 /nfs/dbraw/zinc/88/10/75/530881075.db2.gz XHYIUONOKFATFT-UHFFFAOYSA-N 1 0 375.922 1.655 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ncc(Br)s2)CC1 ZINC000189259829 530910702 /nfs/dbraw/zinc/91/07/02/530910702.db2.gz JHFCPFBSSPTDPU-UHFFFAOYSA-N 1 0 396.314 1.982 20 0 GDADRO CN(CC(=O)N1CC[C@@H](C[NH+](C)C)C1)C(=O)c1ccc(Br)s1 ZINC000113456193 530889784 /nfs/dbraw/zinc/88/97/84/530889784.db2.gz MINYJROLRUIKNM-NSHDSACASA-N 1 0 388.331 1.993 20 0 GDADRO CN(CC(=O)N1CC[C@H](C[NH+](C)C)C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000113450794 530890222 /nfs/dbraw/zinc/89/02/22/530890222.db2.gz PARGHZUNLDIGIX-LLVKDONJSA-N 1 0 379.935 1.432 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)c(C)nc2OC)CC1 ZINC000188314666 530891648 /nfs/dbraw/zinc/89/16/48/530891648.db2.gz PQBFZLWKHSDQGA-UHFFFAOYSA-N 1 0 385.306 1.528 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114047172 530892453 /nfs/dbraw/zinc/89/24/53/530892453.db2.gz YTZZTGLTTLXUST-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO C[NH+](C)C[C@H]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000114199767 530893445 /nfs/dbraw/zinc/89/34/45/530893445.db2.gz GWHCKHXMMQCYOJ-CYBMUJFWSA-N 1 0 397.317 1.387 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc(C)c1Br ZINC000190660703 530934713 /nfs/dbraw/zinc/93/47/13/530934713.db2.gz XMNPIJYFFUCWJR-INIZCTEOSA-N 1 0 386.290 1.433 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000118100511 530916023 /nfs/dbraw/zinc/91/60/23/530916023.db2.gz LQJDHYYDTZEFGD-CQSZACIVSA-N 1 0 384.274 1.853 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000118116166 530916286 /nfs/dbraw/zinc/91/62/86/530916286.db2.gz JCZAHAAVZUCVED-UHFFFAOYSA-N 1 0 381.782 1.992 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1OC ZINC000119077195 530921921 /nfs/dbraw/zinc/92/19/21/530921921.db2.gz PHUBWVYSOXGNFG-VHSXEESVSA-N 1 0 393.303 1.837 20 0 GDADRO Cc1ccc(Cl)cc1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000119518767 530927031 /nfs/dbraw/zinc/92/70/31/530927031.db2.gz RYWDGSBRZMYUDY-UHFFFAOYSA-N 1 0 389.949 1.317 20 0 GDADRO C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000190371795 530928693 /nfs/dbraw/zinc/92/86/93/530928693.db2.gz XXPYRSMWOUSYAP-STECZYCISA-N 1 0 388.917 1.809 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000191989884 530958164 /nfs/dbraw/zinc/95/81/64/530958164.db2.gz GKZLOJCRWVDUNA-WDEREUQCSA-N 1 0 394.324 1.810 20 0 GDADRO C[NH2+]CCCNC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000121745189 530961036 /nfs/dbraw/zinc/96/10/36/530961036.db2.gz PJFSEHLFYCOYQL-UHFFFAOYSA-N 1 0 378.292 1.039 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(Cl)cc1F ZINC000121773663 530961836 /nfs/dbraw/zinc/96/18/36/530961836.db2.gz OFVUNPJNWCUFIP-GFCCVEGCSA-N 1 0 377.913 1.949 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192101482 530961907 /nfs/dbraw/zinc/96/19/07/530961907.db2.gz CCADIGKTCQNIQG-AWEZNQCLSA-N 1 0 392.681 1.470 20 0 GDADRO Cc1sc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1CS(C)(=O)=O ZINC000121883213 530963687 /nfs/dbraw/zinc/96/36/87/530963687.db2.gz JKPPRPYSRMEIDD-CYBMUJFWSA-N 1 0 387.571 1.214 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000120173315 530937074 /nfs/dbraw/zinc/93/70/74/530937074.db2.gz WCXUDQSIRFQQEU-AWEZNQCLSA-N 1 0 388.559 1.590 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@H]2CCC[NH2+]C2)c1F ZINC000120267437 530937491 /nfs/dbraw/zinc/93/74/91/530937491.db2.gz PJYRAZUZBWVVLG-VIFPVBQESA-N 1 0 379.251 1.474 20 0 GDADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)CN1CC[NH+](C)CC1 ZINC000190873929 530939639 /nfs/dbraw/zinc/93/96/39/530939639.db2.gz GKHUDFMTSPISGH-ZDUSSCGKSA-N 1 0 377.913 1.782 20 0 GDADRO COC(=O)[C@H](NC1CC[NH+](Cc2ccccc2Br)CC1)[C@H](C)O ZINC000191016182 530942125 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C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(I)c(O)c1 ZINC000230903759 531035906 /nfs/dbraw/zinc/03/59/06/531035906.db2.gz BNHDUIMWYUEDBO-CYBMUJFWSA-N 1 0 378.210 1.039 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3CCC[NH2+]C3)s2)CC1 ZINC000236646116 531038387 /nfs/dbraw/zinc/03/83/87/531038387.db2.gz RWQDMHRBLKBYAW-AWEZNQCLSA-N 1 0 385.555 1.898 20 0 GDADRO O=C(CS(=O)(=O)Cc1cccc(Br)c1)NC[C@H]1CCC[NH2+]C1 ZINC000236634259 531038468 /nfs/dbraw/zinc/03/84/68/531038468.db2.gz ANQHLBMXFALWJR-ZDUSSCGKSA-N 1 0 389.315 1.480 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)s1 ZINC000236607373 531038580 /nfs/dbraw/zinc/03/85/80/531038580.db2.gz JYIMBUCHPKOIOJ-KBPBESRZSA-N 1 0 387.571 1.953 20 0 GDADRO CC(C)C[C@](C)(C[NH3+])NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000236676910 531038708 /nfs/dbraw/zinc/03/87/08/531038708.db2.gz UKIFMVHGTUBPDS-MRXNPFEDSA-N 1 0 377.457 1.513 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000128339819 531039649 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C[NH2+]C[C@@H](C)CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000237292504 531044382 /nfs/dbraw/zinc/04/43/82/531044382.db2.gz NXWRWPHSXQZTQN-SNVBAGLBSA-N 1 0 380.539 1.678 20 0 GDADRO C[NH2+]CCN(C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000237264727 531044440 /nfs/dbraw/zinc/04/44/40/531044440.db2.gz AJSSJHBVVZMBME-UHFFFAOYSA-N 1 0 375.441 1.043 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000237322102 531045156 /nfs/dbraw/zinc/04/51/56/531045156.db2.gz IWILIWUKKZOOHU-NSHDSACASA-N 1 0 381.420 1.475 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000237436655 531046577 /nfs/dbraw/zinc/04/65/77/531046577.db2.gz WUBITYXLDOOBNU-QWRGUYRKSA-N 1 0 377.304 1.665 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000129075954 531047527 /nfs/dbraw/zinc/04/75/27/531047527.db2.gz HQCIEISAWGWHBL-UHFFFAOYSA-N 1 0 381.523 1.990 20 0 GDADRO CC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000129113783 531048061 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Cn1cc(-c2nc(C[NH2+]C[C@H]3CCCC[C@H]3NS(C)(=O)=O)cs2)cn1 ZINC000527707861 531335101 /nfs/dbraw/zinc/33/51/01/531335101.db2.gz OVMCLDUIYXVZSL-IUODEOHRSA-N 1 0 383.543 1.741 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])c(Cl)c1 ZINC000440841292 531347470 /nfs/dbraw/zinc/34/74/70/531347470.db2.gz BRIFTQSSZXTJCR-NEPJUHHUSA-N 1 0 376.862 1.253 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])c(Cl)c1 ZINC000440841295 531347481 /nfs/dbraw/zinc/34/74/81/531347481.db2.gz BRIFTQSSZXTJCR-RYUDHWBXSA-N 1 0 376.862 1.253 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1Br ZINC000440846213 531348273 /nfs/dbraw/zinc/34/82/73/531348273.db2.gz LDVIKPUNEFTULZ-ONGXEEELSA-N 1 0 390.303 1.765 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000478666774 531348353 /nfs/dbraw/zinc/34/83/53/531348353.db2.gz OZYKUVXGAOYUQJ-AWEZNQCLSA-N 1 0 387.297 1.975 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@H](C[NH3+])C1 ZINC000440844360 531348420 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GDADRO COc1cc(Br)cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000440747508 531343783 /nfs/dbraw/zinc/34/37/83/531343783.db2.gz MVAOFTOBYVMVHZ-GFCCVEGCSA-N 1 0 375.288 1.973 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000478493988 531344312 /nfs/dbraw/zinc/34/43/12/531344312.db2.gz XZVMFNBPFVINNP-UHFFFAOYSA-N 1 0 393.241 1.916 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1cc(Br)cs1 ZINC000266405208 531344580 /nfs/dbraw/zinc/34/45/80/531344580.db2.gz ZJGHLRZOMBXQDJ-IHVVCDCBSA-N 1 0 386.315 1.980 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000292243102 531344800 /nfs/dbraw/zinc/34/48/00/531344800.db2.gz JOBKPIGYUNVLPV-UHFFFAOYSA-N 1 0 387.274 1.886 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)C2)s1 ZINC000292279260 531346438 /nfs/dbraw/zinc/34/64/38/531346438.db2.gz GSHPWCXFNGCSMQ-HIFRSBDPSA-N 1 0 387.571 1.771 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000440833294 531347163 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Cc1cc(C)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)s1 ZINC000292409006 531353458 /nfs/dbraw/zinc/35/34/58/531353458.db2.gz JIUZHOQICVKXKF-GOOCMWNKSA-N 1 0 385.555 1.727 20 0 GDADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000479052457 531353569 /nfs/dbraw/zinc/35/35/69/531353569.db2.gz DNTYRNITIIRHTB-KBPBESRZSA-N 1 0 389.543 1.025 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(O)cc(Br)c2)CC1 ZINC000528502521 531363188 /nfs/dbraw/zinc/36/31/88/531363188.db2.gz BDFBTZWKMTUVCW-UHFFFAOYSA-N 1 0 398.301 1.827 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]CCCn2ccnn2)c2cc(Br)ccc21 ZINC000480677480 531375526 /nfs/dbraw/zinc/37/55/26/531375526.db2.gz DVXVFYFIUOBAEL-ZDUSSCGKSA-N 1 0 385.287 1.939 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000480673691 531375847 /nfs/dbraw/zinc/37/58/47/531375847.db2.gz IVDQIJJQXMDBOT-UONOGXRCSA-N 1 0 389.543 1.006 20 0 GDADRO CS(=O)(=O)CC1(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000480212518 531368761 /nfs/dbraw/zinc/36/87/61/531368761.db2.gz YKYKVFBIRMXKOO-UHFFFAOYSA-N 1 0 382.551 1.790 20 0 GDADRO [NH3+]CC1(NC(=O)Nc2ccc(I)cc2)CCOCC1 ZINC000528664366 531370929 /nfs/dbraw/zinc/37/09/29/531370929.db2.gz VPJPIOHYQRONRA-UHFFFAOYSA-N 1 0 375.210 1.921 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ncc1Br ZINC000278584645 531371289 /nfs/dbraw/zinc/37/12/89/531371289.db2.gz TYRPZIVZOBRPSY-CHWSQXEVSA-N 1 0 381.274 1.834 20 0 GDADRO COc1cc(C)c(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000278743029 531385125 /nfs/dbraw/zinc/38/51/25/531385125.db2.gz JSFCKLMNIREORQ-CYBMUJFWSA-N 1 0 375.922 1.571 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)c(=O)n(C)c1=O ZINC000278744922 531385540 /nfs/dbraw/zinc/38/55/40/531385540.db2.gz MRTZPJOHRLVDLS-CQSZACIVSA-N 1 0 393.285 1.215 20 0 GDADRO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000278765597 531387233 /nfs/dbraw/zinc/38/72/33/531387233.db2.gz BVSLHGYDPMPFGN-HOTGVXAUSA-N 1 0 388.917 1.580 20 0 GDADRO O=C(N1CC[NH2+]CC1)N1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000530225201 531390475 /nfs/dbraw/zinc/39/04/75/531390475.db2.gz VPQZQVXGZRMYSS-UHFFFAOYSA-N 1 0 385.281 1.731 20 0 GDADRO CCN(CCC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)S(C)(=O)=O ZINC000480877683 531380217 /nfs/dbraw/zinc/38/02/17/531380217.db2.gz JADHDWHLIMLKGA-CYBMUJFWSA-N 1 0 377.532 1.380 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000442951807 531382664 /nfs/dbraw/zinc/38/26/64/531382664.db2.gz CUYDSINDEIQTII-YGRLFVJLSA-N 1 0 384.893 1.481 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)CSCc2cc(=O)n3ccsc3n2)CCSC1 ZINC000267120950 531399453 /nfs/dbraw/zinc/39/94/53/531399453.db2.gz PONWDYSVQHUQTO-INIZCTEOSA-N 1 0 398.579 1.543 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)NC[C@]3([NH+](C)C)CCSC3)ccc21 ZINC000267129335 531400678 /nfs/dbraw/zinc/40/06/78/531400678.db2.gz CGYFLHXFXNRPHZ-QGZVFWFLSA-N 1 0 383.539 1.311 20 0 GDADRO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC[C@]2([NH+](C)C)CCSC2)no1 ZINC000267137415 531402129 /nfs/dbraw/zinc/40/21/29/531402129.db2.gz SZFCYKXBGACKIX-MLGOLLRUSA-N 1 0 386.543 1.597 20 0 GDADRO O=C(CC[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)NC(=O)NCC(F)(F)F ZINC000444737837 531403410 /nfs/dbraw/zinc/40/34/10/531403410.db2.gz SJOHVSIYRYXJQN-PSASIEDQSA-N 1 0 379.301 1.400 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000267151806 531404107 /nfs/dbraw/zinc/40/41/07/531404107.db2.gz CKNRJRUONWXLLF-QWRGUYRKSA-N 1 0 376.500 1.647 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000482964560 531405031 /nfs/dbraw/zinc/40/50/31/531405031.db2.gz PMSCLIUXUCTGKM-GFCCVEGCSA-N 1 0 384.274 1.472 20 0 GDADRO O=c1c(Br)c(N2CC[N@@H+]3CCC[C@@H]3C2)cnn1-c1ccccn1 ZINC000293023950 531395701 /nfs/dbraw/zinc/39/57/01/531395701.db2.gz JKEDIXDDVDYTOU-GFCCVEGCSA-N 1 0 376.258 1.674 20 0 GDADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000482236309 531395694 /nfs/dbraw/zinc/39/56/94/531395694.db2.gz HVLKOTFRKQSJBQ-RHSMWYFYSA-N 1 0 387.885 1.953 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000484146211 531416620 /nfs/dbraw/zinc/41/66/20/531416620.db2.gz UKUHLYDXJVUFJT-WDEREUQCSA-N 1 0 379.404 1.179 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@](C)(F)C2)cc[nH+]1 ZINC000349623306 531410024 /nfs/dbraw/zinc/41/00/24/531410024.db2.gz SHSAPXNOHBZCOP-HNNXBMFYSA-N 1 0 393.506 1.098 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cncc(NS(C)(=O)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000483414559 531412178 /nfs/dbraw/zinc/41/21/78/531412178.db2.gz YVRXCEGCHJJYJX-HUUCEWRRSA-N 1 0 384.527 1.105 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC[N@H+](C)C1 ZINC000413907954 531423263 /nfs/dbraw/zinc/42/32/63/531423263.db2.gz UCVWADJZNSKOSA-SMDDNHRTSA-N 1 0 397.269 1.488 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000447242205 531421425 /nfs/dbraw/zinc/42/14/25/531421425.db2.gz FKIOVGLWBCTIEE-WPRPVWTQSA-N 1 0 379.276 1.434 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)CC[NH3+])c(Br)c1 ZINC000447243204 531421581 /nfs/dbraw/zinc/42/15/81/531421581.db2.gz GRLZTDRLIUBSRI-SECBINFHSA-N 1 0 379.276 1.641 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1nccn2nnnc12 ZINC000532353100 531421643 /nfs/dbraw/zinc/42/16/43/531421643.db2.gz MIBMOCSDCIMNIU-UHFFFAOYSA-N 1 0 376.262 1.850 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000447253229 531422844 /nfs/dbraw/zinc/42/28/44/531422844.db2.gz WXVNJXRXBQSKNN-ZJUUUORDSA-N 1 0 393.303 1.824 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1F ZINC000447248652 531422870 /nfs/dbraw/zinc/42/28/70/531422870.db2.gz USIORSQFEISAML-NSHDSACASA-N 1 0 377.869 1.487 20 0 GDADRO CS[C@H]1CN(C(=O)c2cnn(C)c2I)C[C@H]1[NH+](C)C ZINC000293464025 531423648 /nfs/dbraw/zinc/42/36/48/531423648.db2.gz NPHURLGDVRSLAQ-ZJUUUORDSA-N 1 0 394.282 1.142 20 0 GDADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267408763 531424463 /nfs/dbraw/zinc/42/44/63/531424463.db2.gz UHBFSOQZIIIBAK-NSHDSACASA-N 1 0 383.290 1.844 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000447380104 531428096 /nfs/dbraw/zinc/42/80/96/531428096.db2.gz CTKDBGSYPDMGHL-AWEZNQCLSA-N 1 0 389.253 1.920 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000533544692 531431041 /nfs/dbraw/zinc/43/10/41/531431041.db2.gz ZAICXBXTDYPVPK-UHFFFAOYSA-N 1 0 391.921 1.241 20 0 GDADRO COc1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)sc1S(N)(=O)=O ZINC000447430262 531428837 /nfs/dbraw/zinc/42/88/37/531428837.db2.gz FQEVXOCJZBGGSQ-RYUDHWBXSA-N 1 0 389.543 1.502 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000485146426 531429611 /nfs/dbraw/zinc/42/96/11/531429611.db2.gz QGDDMBQXPOUCAB-RDJZCZTQSA-N 1 0 393.329 1.534 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(Br)cc2cccnc21 ZINC000533941770 531432919 /nfs/dbraw/zinc/43/29/19/531432919.db2.gz MJKSZXGMTILITI-AWEZNQCLSA-N 1 0 377.286 1.973 20 0 GDADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccs1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000293624581 531433277 /nfs/dbraw/zinc/43/32/77/531433277.db2.gz MUIUFAJCJUCDOG-GFCCVEGCSA-N 1 0 389.543 1.871 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485471387 531433464 /nfs/dbraw/zinc/43/34/64/531433464.db2.gz PFPCNSKZBRIXJN-LLVKDONJSA-N 1 0 398.301 1.845 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2nccs2)cc1Br ZINC000414323810 531439912 /nfs/dbraw/zinc/43/99/12/531439912.db2.gz VBNOKOPSMBCTQW-UHFFFAOYSA-N 1 0 376.301 1.885 20 0 GDADRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CCC1 ZINC000414327199 531440310 /nfs/dbraw/zinc/44/03/10/531440310.db2.gz MROKGBVFKDIYAD-MRXNPFEDSA-N 1 0 386.539 1.516 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)N1CC[NH+](C)CC1 ZINC000279660710 531447949 /nfs/dbraw/zinc/44/79/49/531447949.db2.gz CNSGGEUDWHCETF-LLVKDONJSA-N 1 0 381.420 1.341 20 0 GDADRO O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000361330901 531448334 /nfs/dbraw/zinc/44/83/34/531448334.db2.gz JTLJPSFSEFCXLY-HUUCEWRRSA-N 1 0 383.539 1.598 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CN1C1CC1 ZINC000414360572 531443560 /nfs/dbraw/zinc/44/35/60/531443560.db2.gz GSBVRASAACPGEA-JQWIXIFHSA-N 1 0 388.331 1.811 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)c(=O)[nH]c3C)[C@H]2C1 ZINC000293961438 531453675 /nfs/dbraw/zinc/45/36/75/531453675.db2.gz SZCIQBRUMVQXBY-UONOGXRCSA-N 1 0 384.274 1.793 20 0 GDADRO CCOC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000486533776 531453738 /nfs/dbraw/zinc/45/37/38/531453738.db2.gz HQQFFZHNNPJDAH-CABCVRRESA-N 1 0 390.502 1.669 20 0 GDADRO CNS(=O)(=O)c1cc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1F ZINC000486537877 531454041 /nfs/dbraw/zinc/45/40/41/531454041.db2.gz MQWVDQUBXHWONQ-OLZOCXBDSA-N 1 0 390.506 1.243 20 0 GDADRO Cc1oc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000267824723 531455081 /nfs/dbraw/zinc/45/50/81/531455081.db2.gz AUITTWCARCNORO-ZDUSSCGKSA-N 1 0 385.511 1.933 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@@H]21 ZINC000448555936 531455348 /nfs/dbraw/zinc/45/53/48/531455348.db2.gz NMXDWIVJCZCCFL-DFBGVHRSSA-N 1 0 378.270 1.717 20 0 GDADRO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000536072106 531448727 /nfs/dbraw/zinc/44/87/27/531448727.db2.gz GJINAZWNPZYTSB-DZGCQCFKSA-N 1 0 385.555 1.551 20 0 GDADRO O=C(Nc1cc(Br)ccc1N1CCCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415305123 531473218 /nfs/dbraw/zinc/47/32/18/531473218.db2.gz QZDVBEMSSVDNSQ-CYBMUJFWSA-N 1 0 395.301 1.856 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)CS(C)(=O)=O)cc1Br ZINC000449604717 531473266 /nfs/dbraw/zinc/47/32/66/531473266.db2.gz YDVCHOYPJVTNJH-YPMHNXCESA-N 1 0 394.331 1.631 20 0 GDADRO C[NH+](C)Cc1ccsc1C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000268087749 531473325 /nfs/dbraw/zinc/47/33/25/531473325.db2.gz HZXCUYOOOLZTFC-UHFFFAOYSA-N 1 0 399.460 1.854 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000449699450 531473400 /nfs/dbraw/zinc/47/34/00/531473400.db2.gz QVHUAJCDXCIVPB-CQSZACIVSA-N 1 0 393.285 1.663 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)[C@H]2C1 ZINC000540903944 531473478 /nfs/dbraw/zinc/47/34/78/531473478.db2.gz PCYBPMMZEHHHRN-ABAIWWIYSA-N 1 0 383.901 1.939 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000415307066 531473548 /nfs/dbraw/zinc/47/35/48/531473548.db2.gz MKOSJCZTSNNTSJ-UHFFFAOYSA-N 1 0 386.246 1.208 20 0 GDADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000415306294 531473583 /nfs/dbraw/zinc/47/35/83/531473583.db2.gz WDXABNFGYUNQJJ-ZWNOBZJWSA-N 1 0 378.445 1.867 20 0 GDADRO O=C(NCCS(=O)(=O)N1CCSCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000363136799 531473699 /nfs/dbraw/zinc/47/36/99/531473699.db2.gz NVNPPBVBHABYLM-HNNXBMFYSA-N 1 0 389.587 1.136 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(C)c(I)c1 ZINC000415303851 531473752 /nfs/dbraw/zinc/47/37/52/531473752.db2.gz FYOKADZEUHKMET-UHFFFAOYSA-N 1 0 375.210 1.264 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000449713277 531473977 /nfs/dbraw/zinc/47/39/77/531473977.db2.gz WXLGDTHHFGCTRQ-KGLIPLIRSA-N 1 0 385.555 1.709 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000449713815 531474106 /nfs/dbraw/zinc/47/41/06/531474106.db2.gz AQTQKMQMOUBTHX-GFCCVEGCSA-N 1 0 381.420 1.773 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cc(Cl)ccc1Br ZINC000415323124 531474315 /nfs/dbraw/zinc/47/43/15/531474315.db2.gz GEHMCUQZQJRRJU-UHFFFAOYSA-N 1 0 389.681 1.062 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc(F)c(F)cc1I ZINC000449712268 531474482 /nfs/dbraw/zinc/47/44/82/531474482.db2.gz QYSHHKNIWJOLJZ-QMMMGPOBSA-N 1 0 396.175 1.678 20 0 GDADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)[C@@H]1C ZINC000280132534 531474552 /nfs/dbraw/zinc/47/45/52/531474552.db2.gz DGJAGMRDEMJTOG-RFGFWPKPSA-N 1 0 375.512 1.450 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1I ZINC000415317623 531474629 /nfs/dbraw/zinc/47/46/29/531474629.db2.gz PTWDBQBHODGYOD-NSHDSACASA-N 1 0 387.221 1.406 20 0 GDADRO Cc1sc2ncn(CCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(=O)c2c1C ZINC000449725270 531475367 /nfs/dbraw/zinc/47/53/67/531475367.db2.gz UXYGOJLJKYKJQI-JTQLQIEISA-N 1 0 376.404 1.861 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c(I)c1 ZINC000415329071 531475523 /nfs/dbraw/zinc/47/55/23/531475523.db2.gz MQORBZXQMPNDQE-QMMMGPOBSA-N 1 0 391.184 1.155 20 0 GDADRO O=C(Nc1cc(I)ccc1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415334482 531476593 /nfs/dbraw/zinc/47/65/93/531476593.db2.gz SKLUHNUDSQOTDN-QMMMGPOBSA-N 1 0 393.612 1.361 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415343039 531476822 /nfs/dbraw/zinc/47/68/22/531476822.db2.gz KNLKGHAUCNIUJY-JTQLQIEISA-N 1 0 377.242 1.756 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415346358 531477412 /nfs/dbraw/zinc/47/74/12/531477412.db2.gz HILKNUDPQQZNDU-LLVKDONJSA-N 1 0 392.257 1.394 20 0 GDADRO [NH3+]CCc1nc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cs1 ZINC000279904248 531460632 /nfs/dbraw/zinc/46/06/32/531460632.db2.gz KFXDTYBWEAHQKI-UHFFFAOYSA-N 1 0 379.873 1.486 20 0 GDADRO CC[NH+](CC)CCN(C(=O)C[C@@H](O)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000486810425 531461075 /nfs/dbraw/zinc/46/10/75/531461075.db2.gz IHLWIUPTPVQCPX-JKSUJKDBSA-N 1 0 376.563 1.531 20 0 GDADRO CCn1cc(Br)cc1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000362428190 531461298 /nfs/dbraw/zinc/46/12/98/531461298.db2.gz HRILSLXFYGZXPB-CQSZACIVSA-N 1 0 397.317 1.825 20 0 GDADRO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000362667274 531461730 /nfs/dbraw/zinc/46/17/30/531461730.db2.gz OEEIVHHCZLJIJY-INIZCTEOSA-N 1 0 390.285 1.963 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000294128223 531463762 /nfs/dbraw/zinc/46/37/62/531463762.db2.gz NPKYZZATORYVSU-UHFFFAOYSA-N 1 0 389.949 1.938 20 0 GDADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(I)cc1Cl ZINC000414787238 531464611 /nfs/dbraw/zinc/46/46/11/531464611.db2.gz CAASDPDDLYCRBT-QMMMGPOBSA-N 1 0 383.617 1.728 20 0 GDADRO CC[N@H+](CCO)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000267993458 531465194 /nfs/dbraw/zinc/46/51/94/531465194.db2.gz LACPTMWISCIJMD-NSHDSACASA-N 1 0 377.894 1.232 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c(F)cc(Br)cc1F ZINC000267978208 531465414 /nfs/dbraw/zinc/46/54/14/531465414.db2.gz KFLNGOKDNPPRPW-GFCCVEGCSA-N 1 0 390.228 1.797 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(F)c(I)c(F)c2)CCO1 ZINC000415118929 531466059 /nfs/dbraw/zinc/46/60/59/531466059.db2.gz KDJCPUBNTLGCRA-QMMMGPOBSA-N 1 0 397.163 1.761 20 0 GDADRO CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000415171407 531466675 /nfs/dbraw/zinc/46/66/75/531466675.db2.gz ZZKSLQPIIVDEBE-CYBMUJFWSA-N 1 0 376.429 1.875 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1Br ZINC000415266722 531469125 /nfs/dbraw/zinc/46/91/25/531469125.db2.gz LUCCJRMWMNHYPF-LBPRGKRZSA-N 1 0 383.290 1.399 20 0 GDADRO Cc1cccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c1Cl ZINC000538320992 531469185 /nfs/dbraw/zinc/46/91/85/531469185.db2.gz UTJCRBUUTGEQTA-UHFFFAOYSA-N 1 0 389.949 1.317 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(F)c2I)C1 ZINC000415260097 531469505 /nfs/dbraw/zinc/46/95/05/531469505.db2.gz ANIVBXURNRQTBJ-QMMMGPOBSA-N 1 0 391.184 1.319 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415278209 531470743 /nfs/dbraw/zinc/47/07/43/531470743.db2.gz ZOVAGNVHZUNHNS-JTQLQIEISA-N 1 0 377.242 1.886 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415350317 531477745 /nfs/dbraw/zinc/47/77/45/531477745.db2.gz MXOSSMVGZLVZSO-NSHDSACASA-N 1 0 386.246 1.817 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)C2)C1 ZINC000294280732 531471008 /nfs/dbraw/zinc/47/10/08/531471008.db2.gz UUCNJIMAWHCUNC-AWEZNQCLSA-N 1 0 377.919 1.607 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCCCN2CC[NH2+]CC2)c1Br ZINC000415286258 531471132 /nfs/dbraw/zinc/47/11/32/531471132.db2.gz TUQJMQVFYTWYOM-UHFFFAOYSA-N 1 0 383.290 1.108 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415291698 531471215 /nfs/dbraw/zinc/47/12/15/531471215.db2.gz KRIYVODTJXFNDD-UHFFFAOYSA-N 1 0 381.601 1.348 20 0 GDADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415296293 531472318 /nfs/dbraw/zinc/47/23/18/531472318.db2.gz BXOMQDCSORWPPB-SNVBAGLBSA-N 1 0 383.239 1.381 20 0 GDADRO O=S(=O)(Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1)N1CCCC1 ZINC000540397111 531472906 /nfs/dbraw/zinc/47/29/06/531472906.db2.gz IGMIBSVJCZGDHZ-QGZVFWFLSA-N 1 0 386.539 1.279 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c(I)c1 ZINC000415295673 531472876 /nfs/dbraw/zinc/47/28/76/531472876.db2.gz QTDNIWDEQWIKNB-MRVPVSSYSA-N 1 0 391.184 1.237 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000543249323 531478875 /nfs/dbraw/zinc/47/88/75/531478875.db2.gz PEXLUVGLFFHJQB-OAHLLOKOSA-N 1 0 375.535 1.360 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415363910 531479328 /nfs/dbraw/zinc/47/93/28/531479328.db2.gz SJWGNFWBSXJDPL-NSHDSACASA-N 1 0 394.273 1.486 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415359256 531479352 /nfs/dbraw/zinc/47/93/52/531479352.db2.gz VQOGITNEAZNUJB-SNVBAGLBSA-N 1 0 377.242 1.743 20 0 GDADRO C[C@@H](Sc1ccccn1)C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000268165529 531480981 /nfs/dbraw/zinc/48/09/81/531480981.db2.gz IZIFKSSLDIXRES-HUUCEWRRSA-N 1 0 385.555 1.530 20 0 GDADRO COc1ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])c(I)c1 ZINC000415377402 531481023 /nfs/dbraw/zinc/48/10/23/531481023.db2.gz FHKJFQJPYOPMFB-UHFFFAOYSA-N 1 0 391.209 1.092 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)CC(C)C ZINC000488150206 531481340 /nfs/dbraw/zinc/48/13/40/531481340.db2.gz ZXPKMKIZWHGZPQ-HZPDHXFCSA-N 1 0 376.567 1.418 20 0 GDADRO CCCN(CCC)S(=O)(=O)N1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000488180814 531482785 /nfs/dbraw/zinc/48/27/85/531482785.db2.gz JVFAQVMOLDWIMI-UHFFFAOYSA-N 1 0 375.579 1.912 20 0 GDADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000363376947 531482971 /nfs/dbraw/zinc/48/29/71/531482971.db2.gz UAADPZNJFCPKMY-DGCLKSJQSA-N 1 0 380.388 1.727 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)cc1Br ZINC000415400880 531483445 /nfs/dbraw/zinc/48/34/45/531483445.db2.gz WMVCNYXMYRGMRY-GFCCVEGCSA-N 1 0 397.317 1.565 20 0 GDADRO Cc1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1S(=O)(=O)NC1CC1 ZINC000415411303 531484006 /nfs/dbraw/zinc/48/40/06/531484006.db2.gz WLMRNWXUFOVRLF-LBPRGKRZSA-N 1 0 376.429 1.540 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccncc1I ZINC000415424536 531484856 /nfs/dbraw/zinc/48/48/56/531484856.db2.gz IBGFVZWPOJRDDU-LDYMZIIASA-N 1 0 390.225 1.343 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2I)CC[NH2+]1 ZINC000415425596 531484896 /nfs/dbraw/zinc/48/48/96/531484896.db2.gz CSXCSZZUNYOMSH-QMMMGPOBSA-N 1 0 391.184 1.189 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2I)CC[C@H]1[NH3+] ZINC000415428581 531485360 /nfs/dbraw/zinc/48/53/60/531485360.db2.gz CWWKCLXMQSLQGR-MWLCHTKSSA-N 1 0 387.221 1.425 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc(OC)c1Br ZINC000415450831 531486665 /nfs/dbraw/zinc/48/66/65/531486665.db2.gz WRBLYOFZVGHNQX-SNVBAGLBSA-N 1 0 388.262 1.504 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000415458207 531488092 /nfs/dbraw/zinc/48/80/92/531488092.db2.gz YBAMBTWTHSDDPO-WDEREUQCSA-N 1 0 384.274 1.982 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[C@@H]1[NH3+] ZINC000415466016 531488491 /nfs/dbraw/zinc/48/84/91/531488491.db2.gz STJJZDKEBLPCRU-XCBNKYQSSA-N 1 0 376.201 1.862 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415467423 531488985 /nfs/dbraw/zinc/48/89/85/531488985.db2.gz UXGZLSQDKRIIQQ-JQWIXIFHSA-N 1 0 384.274 1.982 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(F)cc2I)C1 ZINC000545154605 531489193 /nfs/dbraw/zinc/48/91/93/531489193.db2.gz VFWMXXQZNNGYBP-ZDUSSCGKSA-N 1 0 378.185 1.227 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000415477260 531490216 /nfs/dbraw/zinc/49/02/16/531490216.db2.gz DVWQGMOOTRUNBX-GFCCVEGCSA-N 1 0 387.221 1.488 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cc(O)ccc2Br)C1=O ZINC000363531888 531490256 /nfs/dbraw/zinc/49/02/56/531490256.db2.gz BGNYNWGNSHNUFO-BZNIZROVSA-N 1 0 382.258 1.965 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000415494543 531490763 /nfs/dbraw/zinc/49/07/63/531490763.db2.gz MTYGDDYSZBQKHY-NSHDSACASA-N 1 0 398.257 1.385 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415504865 531491205 /nfs/dbraw/zinc/49/12/05/531491205.db2.gz YGSNHQBVQBLLAI-GFCCVEGCSA-N 1 0 384.249 1.688 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415519078 531492015 /nfs/dbraw/zinc/49/20/15/531492015.db2.gz JILWYJKORKCBJL-MNOVXSKESA-N 1 0 384.274 1.982 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415544472 531492759 /nfs/dbraw/zinc/49/27/59/531492759.db2.gz GHPKYMOFZYSZHN-UHFFFAOYSA-N 1 0 398.179 1.964 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415538605 531492945 /nfs/dbraw/zinc/49/29/45/531492945.db2.gz SIOALBJYZCODIQ-UHFFFAOYSA-N 1 0 380.164 1.742 20 0 GDADRO COC(=O)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)Oc1ccc(Br)cc1 ZINC000487785585 531478171 /nfs/dbraw/zinc/47/81/71/531478171.db2.gz PWBJOCWVRWGAHA-UGFHNGPFSA-N 1 0 399.285 1.683 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000487767206 531478304 /nfs/dbraw/zinc/47/83/04/531478304.db2.gz PLLOCLKJQAKCFG-MNOVXSKESA-N 1 0 394.324 1.586 20 0 GDADRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)CCS(C)(=O)=O)c1 ZINC000268440216 531512279 /nfs/dbraw/zinc/51/22/79/531512279.db2.gz CNVJWESPHVFEMS-UHFFFAOYSA-N 1 0 390.571 1.773 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000268439786 531512499 /nfs/dbraw/zinc/51/24/99/531512499.db2.gz KFTVBOWEXJBWKF-UKRRQHHQSA-N 1 0 383.334 1.925 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1Br ZINC000415687546 531513517 /nfs/dbraw/zinc/51/35/17/531513517.db2.gz IXYMEKDFQWDWMW-INIZCTEOSA-N 1 0 398.257 1.372 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1Br ZINC000415688696 531514150 /nfs/dbraw/zinc/51/41/50/531514150.db2.gz KIVYQWOJXIRKRJ-INIZCTEOSA-N 1 0 384.274 1.984 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658540298 531514374 /nfs/dbraw/zinc/51/43/74/531514374.db2.gz URKJUZFZTNPSBQ-UHFFFAOYSA-N 1 0 384.274 1.725 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415682742 531514315 /nfs/dbraw/zinc/51/43/15/531514315.db2.gz BSXINUJHORUQFE-CQSZACIVSA-N 1 0 376.201 1.863 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2cc(Br)ccc2C)CCC[NH2+]1 ZINC000415701269 531515592 /nfs/dbraw/zinc/51/55/92/531515592.db2.gz BBFOZPISCKTFCZ-MRXNPFEDSA-N 1 0 384.274 1.581 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)Nc1ccsc1Cl ZINC000415698311 531515851 /nfs/dbraw/zinc/51/58/51/531515851.db2.gz WXIUFFDIFROFJT-SECBINFHSA-N 1 0 384.811 1.292 20 0 GDADRO C[C@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000415723775 531519654 /nfs/dbraw/zinc/51/96/54/531519654.db2.gz LQQZJNFAQALVDZ-QPUJVOFHSA-N 1 0 383.239 1.461 20 0 GDADRO COCCN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000581841102 531518011 /nfs/dbraw/zinc/51/80/11/531518011.db2.gz REQHNLYRGLKVTA-HNNXBMFYSA-N 1 0 375.535 1.096 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415552867 531493680 /nfs/dbraw/zinc/49/36/80/531493680.db2.gz NUVCUMPLFOLLIQ-SSDOTTSWSA-N 1 0 395.628 1.737 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415566637 531495198 /nfs/dbraw/zinc/49/51/98/531495198.db2.gz JCTCWUVXQDYKJH-GHMZBOCLSA-N 1 0 387.889 1.268 20 0 GDADRO CN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000268334859 531495193 /nfs/dbraw/zinc/49/51/93/531495193.db2.gz NKROVGZCPYRZBE-HNNXBMFYSA-N 1 0 388.559 1.416 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1Br ZINC000415564974 531495253 /nfs/dbraw/zinc/49/52/53/531495253.db2.gz ONGJCGFZFZEEAE-UWVGGRQHSA-N 1 0 398.257 1.383 20 0 GDADRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000280423240 531495668 /nfs/dbraw/zinc/49/56/68/531495668.db2.gz RBOIZJXUMOIHTA-GUYCJALGSA-N 1 0 394.269 1.539 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)NCCCC[NH3+])cc1Cl ZINC000415565572 531495845 /nfs/dbraw/zinc/49/58/45/531495845.db2.gz LROONEBOMIZCKN-UHFFFAOYSA-N 1 0 378.256 1.812 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)cc(N(C)C)c2)CC1 ZINC000294767971 531495879 /nfs/dbraw/zinc/49/58/79/531495879.db2.gz MZQNUCQVHVCSMP-UHFFFAOYSA-N 1 0 383.334 1.882 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000450442036 531496111 /nfs/dbraw/zinc/49/61/11/531496111.db2.gz SCXMDYBNBHOVPL-UHFFFAOYSA-N 1 0 381.274 1.943 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415575801 531497464 /nfs/dbraw/zinc/49/74/64/531497464.db2.gz XKPJPECSCNEAAV-QWRGUYRKSA-N 1 0 387.889 1.281 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000415584795 531498235 /nfs/dbraw/zinc/49/82/35/531498235.db2.gz TZDYGUQBAUXORK-VHRBIJSZSA-N 1 0 396.285 1.982 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415588463 531498257 /nfs/dbraw/zinc/49/82/57/531498257.db2.gz ZSIVWTXWWHOHBB-HTQZYQBOSA-N 1 0 376.201 1.862 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)s1 ZINC000280458071 531498479 /nfs/dbraw/zinc/49/84/79/531498479.db2.gz SDEOGURYXMQARB-QWHCGFSZSA-N 1 0 389.543 1.138 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363663443 531498446 /nfs/dbraw/zinc/49/84/46/531498446.db2.gz SWSDSRRZIFPOOD-GJZGRUSLSA-N 1 0 396.285 1.158 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)Nc1ccc(I)cc1 ZINC000415593844 531500008 /nfs/dbraw/zinc/50/00/08/531500008.db2.gz HGFKIBVCMGAUTC-UHFFFAOYSA-N 1 0 385.205 1.266 20 0 GDADRO Cn1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1=O ZINC000658125663 531501674 /nfs/dbraw/zinc/50/16/74/531501674.db2.gz IZFCKPCKWJVSLL-LLVKDONJSA-N 1 0 399.289 1.075 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)s2)C[C@H]1[NH+]1CCCC1 ZINC000547949901 531501748 /nfs/dbraw/zinc/50/17/48/531501748.db2.gz PWCBHOGMIMZXRQ-PWSUYJOCSA-N 1 0 375.541 1.047 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CCO1 ZINC000415604697 531501935 /nfs/dbraw/zinc/50/19/35/531501935.db2.gz NKTIQIPICCXAFO-SECBINFHSA-N 1 0 377.775 1.109 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(CCO)CCOC ZINC000294877153 531503393 /nfs/dbraw/zinc/50/33/93/531503393.db2.gz QKOHXZAERNNNGC-LBPRGKRZSA-N 1 0 389.290 1.403 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(I)c[nH]1 ZINC000363710273 531503321 /nfs/dbraw/zinc/50/33/21/531503321.db2.gz CCEGEMYKXQLYGC-LBPRGKRZSA-N 1 0 389.237 1.602 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415608772 531503370 /nfs/dbraw/zinc/50/33/70/531503370.db2.gz UWOAUPHGLDCVHE-KRWDZBQOSA-N 1 0 396.285 1.917 20 0 GDADRO O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N[C@H]1C[NH2+]CCC1(F)F ZINC000581873621 531519165 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CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000415785606 531530259 /nfs/dbraw/zinc/53/02/59/531530259.db2.gz IHENGBQFSGGZIW-SECBINFHSA-N 1 0 394.216 1.885 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415794061 531532720 /nfs/dbraw/zinc/53/27/20/531532720.db2.gz VLDWSCDBEHHQDM-UWVGGRQHSA-N 1 0 380.246 1.425 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cccc(I)c1)C(F)F ZINC000415791066 531531385 /nfs/dbraw/zinc/53/13/85/531531385.db2.gz QIUPDIVGDWCXOS-SECBINFHSA-N 1 0 397.163 1.328 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000551070733 531531745 /nfs/dbraw/zinc/53/17/45/531531745.db2.gz FIUWUPYQGGAYJU-LBPRGKRZSA-N 1 0 386.315 1.824 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1)C[NH+](C)C ZINC000551044432 531532008 /nfs/dbraw/zinc/53/20/08/531532008.db2.gz NINTVSBSFBVJDQ-LBPRGKRZSA-N 1 0 399.333 1.763 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)NCCCC[NH3+])CC1 ZINC000415789864 531532063 /nfs/dbraw/zinc/53/20/63/531532063.db2.gz 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JDOSNEYUTXRRCJ-UHFFFAOYSA-N 1 0 375.878 1.268 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415843506 531541961 /nfs/dbraw/zinc/54/19/61/531541961.db2.gz XWRKKPVRKRDZJM-HTQZYQBOSA-N 1 0 376.201 1.909 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415848423 531542098 /nfs/dbraw/zinc/54/20/98/531542098.db2.gz DDRCANKDUCLPFQ-JTQLQIEISA-N 1 0 388.237 1.411 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659105003 531542527 /nfs/dbraw/zinc/54/25/27/531542527.db2.gz YKFYENLJNRYFCD-UHFFFAOYSA-N 1 0 379.873 1.609 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000415854585 531543690 /nfs/dbraw/zinc/54/36/90/531543690.db2.gz NHZXZTLLSPDKIC-SNVBAGLBSA-N 1 0 378.782 1.317 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659468897 531548766 /nfs/dbraw/zinc/54/87/66/531548766.db2.gz HTDKMFJFYYJIRU-SNVBAGLBSA-N 1 0 394.273 1.834 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@H]1F ZINC000659486746 531549196 /nfs/dbraw/zinc/54/91/96/531549196.db2.gz QBMQOIBMPLQZBP-MGPQQGTHSA-N 1 0 399.264 1.635 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[C@H]1F ZINC000659458133 531549215 /nfs/dbraw/zinc/54/92/15/531549215.db2.gz RYZUMYKMRFKVAZ-VXGBXAGGSA-N 1 0 397.252 1.815 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582595413 531549155 /nfs/dbraw/zinc/54/91/55/531549155.db2.gz BNXXURLJLFAEHQ-KGLIPLIRSA-N 1 0 386.543 1.058 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000582694228 531550357 /nfs/dbraw/zinc/55/03/57/531550357.db2.gz GJHSYOVJSBYENJ-ZDUSSCGKSA-N 1 0 392.319 1.237 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000415793471 531533039 /nfs/dbraw/zinc/53/30/39/531533039.db2.gz UYCLNXWCTLANLL-ZJUUUORDSA-N 1 0 388.262 1.265 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000295195469 531536478 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QUGBJXVCKHSAHY-HNNXBMFYSA-N 1 0 387.311 1.742 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000491613319 531557563 /nfs/dbraw/zinc/55/75/63/531557563.db2.gz QCHDCNGSWZKAHN-CQSZACIVSA-N 1 0 389.543 1.090 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCSc3ccccc3Br)CCN2C1=O ZINC000582976826 531559283 /nfs/dbraw/zinc/55/92/83/531559283.db2.gz UXRVQPZPUNJYNT-WCQYABFASA-N 1 0 398.326 1.702 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659731930 531559756 /nfs/dbraw/zinc/55/97/56/531559756.db2.gz GWLTYINNYVISMU-UHFFFAOYSA-N 1 0 398.301 1.674 20 0 GDADRO C[C@@H](COC1CCCC1)CS(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000582969769 531559970 /nfs/dbraw/zinc/55/99/70/531559970.db2.gz FMFKOGNUFDGQIP-IRXDYDNUSA-N 1 0 375.579 1.527 20 0 GDADRO COC(=O)C1(CS(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)CCCC1 ZINC000558437081 531560166 /nfs/dbraw/zinc/56/01/66/531560166.db2.gz RCMPTELGGSCGJA-UHFFFAOYSA-N 1 0 376.519 1.092 20 0 GDADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CCN1C ZINC000295321244 531560578 /nfs/dbraw/zinc/56/05/78/531560578.db2.gz WKWRNFQMNMGVJB-NEPJUHHUSA-N 1 0 394.946 1.847 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000582991711 531562544 /nfs/dbraw/zinc/56/25/44/531562544.db2.gz BDRUXGNRBGARRE-RKDXNWHRSA-N 1 0 389.421 1.135 20 0 GDADRO Cc1cc2cc(S(=O)(=O)NCCN3CCC(O)CC3)ccc2nc1Cl ZINC000295362662 531568014 /nfs/dbraw/zinc/56/80/14/531568014.db2.gz PBKAFJCLZCEKNG-UHFFFAOYSA-N 1 0 383.901 1.932 20 0 GDADRO CC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)[NH+](C)C ZINC000268747421 531563532 /nfs/dbraw/zinc/56/35/32/531563532.db2.gz SOUUNGXODBRAMC-CQSZACIVSA-N 1 0 375.441 1.138 20 0 GDADRO OCc1cn(CCC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)nn1 ZINC000558492634 531564341 /nfs/dbraw/zinc/56/43/41/531564341.db2.gz DKYBEIFSUJIBFX-UHFFFAOYSA-N 1 0 391.273 1.899 20 0 GDADRO Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)sc1S(N)(=O)=O ZINC000583139651 531565114 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Cn1cc(Br)c(=O)c(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000666686874 531760364 /nfs/dbraw/zinc/76/03/64/531760364.db2.gz JLWKMNDTACTNQN-UHFFFAOYSA-N 1 0 392.257 1.897 20 0 GDADRO CO[C@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000417219830 531761226 /nfs/dbraw/zinc/76/12/26/531761226.db2.gz JZRTZAGOPQWGQS-KBPBESRZSA-N 1 0 389.905 1.261 20 0 GDADRO O=C(NCC(F)(F)c1ccc(Br)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000621845164 531761619 /nfs/dbraw/zinc/76/16/19/531761619.db2.gz CTNWJHHWCSHZBJ-LLVKDONJSA-N 1 0 376.201 1.135 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000417226857 531761875 /nfs/dbraw/zinc/76/18/75/531761875.db2.gz AEUVHGHZOFTMBC-CQSZACIVSA-N 1 0 383.290 1.477 20 0 GDADRO Cc1ccc(NC(=O)Cn2cc(CN3CC[NH2+]CC3)nn2)c(Br)c1 ZINC000640771228 531762060 /nfs/dbraw/zinc/76/20/60/531762060.db2.gz LUVYKYKZKTVUOD-UHFFFAOYSA-N 1 0 393.289 1.393 20 0 GDADRO O=C(Cn1cc(CCN2CC[NH2+]CC2)nn1)Nc1cccc(Cl)c1Cl ZINC000640763769 531763083 /nfs/dbraw/zinc/76/30/83/531763083.db2.gz JRAHZZHYAJFREL-UHFFFAOYSA-N 1 0 383.283 1.671 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622014570 531764973 /nfs/dbraw/zinc/76/49/73/531764973.db2.gz HSTYSKIXOGRXJD-MEDUHNTESA-N 1 0 387.889 1.809 20 0 GDADRO O=c1cc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)nc2ccc(Br)cn12 ZINC000640795908 531765523 /nfs/dbraw/zinc/76/55/23/531765523.db2.gz HOBNYGUNDUBFEC-LLVKDONJSA-N 1 0 389.257 1.249 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000621565659 531750935 /nfs/dbraw/zinc/75/09/35/531750935.db2.gz FDLCGVUMKDAVQA-UHFFFAOYSA-N 1 0 398.301 1.935 20 0 GDADRO COc1cc(CNC(=O)NC[C@H]2C[NH2+]CCO2)cc(Br)c1OC ZINC000417383300 531766320 /nfs/dbraw/zinc/76/63/20/531766320.db2.gz YUGSQULYXJVWPO-LLVKDONJSA-N 1 0 388.262 1.254 20 0 GDADRO C[NH+]1CCN(Cc2cn(Cc3nc4cc(Br)ccc4[nH]3)nn2)CC1 ZINC000641162162 531781852 /nfs/dbraw/zinc/78/18/52/531781852.db2.gz JXPKOOZMILRFIU-UHFFFAOYSA-N 1 0 390.289 1.713 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000562809011 531781909 /nfs/dbraw/zinc/78/19/09/531781909.db2.gz OLDSSAMVPJYMFT-RISCZKNCSA-N 1 0 387.297 1.804 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc1C(F)(F)F ZINC000592372169 531782345 /nfs/dbraw/zinc/78/23/45/531782345.db2.gz MFXATCGBZFCCRX-UHFFFAOYSA-N 1 0 380.388 1.865 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1Cl ZINC000562825557 531782412 /nfs/dbraw/zinc/78/24/12/531782412.db2.gz IPGARRIVGZVIGI-XJKSGUPXSA-N 1 0 388.917 1.645 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CCO1 ZINC000417605479 531782608 /nfs/dbraw/zinc/78/26/08/531782608.db2.gz YGYZPRKUDDGDIO-STQMWFEESA-N 1 0 383.290 1.397 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cc(Cl)cc(C(N)=O)c3)C2)CC1 ZINC000282671154 531782998 /nfs/dbraw/zinc/78/29/98/531782998.db2.gz QMVWYJAZERVNSA-ZDUSSCGKSA-N 1 0 385.917 1.791 20 0 GDADRO O=C(CN1CCCCC1=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000562639566 531767717 /nfs/dbraw/zinc/76/77/17/531767717.db2.gz NQHJETKFIMGQKK-UHFFFAOYSA-N 1 0 397.273 1.632 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1SC ZINC000592172734 531768674 /nfs/dbraw/zinc/76/86/74/531768674.db2.gz ADKOQNXHEYMJDI-INMHGKMJSA-N 1 0 386.539 1.205 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417438214 531771519 /nfs/dbraw/zinc/77/15/19/531771519.db2.gz QYCMBZBIQPOOAA-BXUZGUMPSA-N 1 0 383.290 1.476 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Br)c2c(c1)OCCO2 ZINC000452347571 531772258 /nfs/dbraw/zinc/77/22/58/531772258.db2.gz IWLRWLMKKYBKAL-CYBMUJFWSA-N 1 0 399.285 1.797 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)NCCc2ccc(I)s2)C1 ZINC000417443617 531773325 /nfs/dbraw/zinc/77/33/25/531773325.db2.gz YYZVNTZCHZATOW-SECBINFHSA-N 1 0 379.267 1.885 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1Br ZINC000667265873 531773741 /nfs/dbraw/zinc/77/37/41/531773741.db2.gz DXHXTIPUTITMIK-AWEZNQCLSA-N 1 0 397.317 1.708 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000641034122 531774018 /nfs/dbraw/zinc/77/40/18/531774018.db2.gz QLMQHNWBIVJDSX-SWLSCSKDSA-N 1 0 395.301 1.774 20 0 GDADRO O=C(NCCCNC(=O)c1ccc(Br)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000417464643 531774835 /nfs/dbraw/zinc/77/48/35/531774835.db2.gz QXZZRDASLLPJJA-CYBMUJFWSA-N 1 0 397.317 1.868 20 0 GDADRO COc1ccc(Br)c(CC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000452375915 531775311 /nfs/dbraw/zinc/77/53/11/531775311.db2.gz AYOUOTPAPLZGDV-CQSZACIVSA-N 1 0 385.302 1.963 20 0 GDADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417481443 531775821 /nfs/dbraw/zinc/77/58/21/531775821.db2.gz HKNOGXKPYYQOEU-QWHCGFSZSA-N 1 0 397.317 1.961 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@H]1COc2ccc(Br)cc21 ZINC000452376364 531775900 /nfs/dbraw/zinc/77/59/00/531775900.db2.gz KTGCACWNRJFBOK-HIFRSBDPSA-N 1 0 383.286 1.888 20 0 GDADRO [NH3+]C[C@@H](O)CCc1cn([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)nn1 ZINC000641108787 531777152 /nfs/dbraw/zinc/77/71/52/531777152.db2.gz NUAGOGQDTVWKSJ-SWLSCSKDSA-N 1 0 384.267 1.815 20 0 GDADRO CCOCCNC(=O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641101219 531777253 /nfs/dbraw/zinc/77/72/53/531777253.db2.gz DYQIVBBCAXXZFF-HNNXBMFYSA-N 1 0 382.262 1.241 20 0 GDADRO COCCOCCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000269835666 531778409 /nfs/dbraw/zinc/77/84/09/531778409.db2.gz GSTPXVSMGCWEGO-UHFFFAOYSA-N 1 0 378.922 1.696 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2csc3ccccc32)C1 ZINC000508526197 531778476 /nfs/dbraw/zinc/77/84/76/531778476.db2.gz AHGFVMOQWQCGCF-CYBMUJFWSA-N 1 0 381.523 1.767 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)C1 ZINC000667663970 531783308 /nfs/dbraw/zinc/78/33/08/531783308.db2.gz NDSBZBUZTAFYDI-CYBMUJFWSA-N 1 0 397.321 1.422 20 0 GDADRO [NH3+]CC1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000418085528 531801775 /nfs/dbraw/zinc/80/17/75/531801775.db2.gz AIBUIUXMOOUESA-HNNXBMFYSA-N 1 0 395.301 1.935 20 0 GDADRO O=C(Cn1cc(C[C@H]2CC[NH2+]C2)nn1)c1c[nH]c2ncc(Br)cc12 ZINC000641168293 531783896 /nfs/dbraw/zinc/78/38/96/531783896.db2.gz FJNLYDCSTSLZIA-SNVBAGLBSA-N 1 0 389.257 1.952 20 0 GDADRO OCCOC1(C[NH2+]Cc2cnc3ccc(Br)cn23)CCOCC1 ZINC000282680966 531784871 /nfs/dbraw/zinc/78/48/71/531784871.db2.gz NKDHSMHONMBFDW-UHFFFAOYSA-N 1 0 384.274 1.745 20 0 GDADRO C[C@H](CNC(=O)NCCN1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000417798482 531785698 /nfs/dbraw/zinc/78/56/98/531785698.db2.gz RRRHIWNAJNOLOQ-CYBMUJFWSA-N 1 0 385.306 1.421 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000592435806 531786118 /nfs/dbraw/zinc/78/61/18/531786118.db2.gz ZSNUPCVICOPNDZ-CQSZACIVSA-N 1 0 399.285 1.947 20 0 GDADRO CN(CCC[NH3+])Cc1cn(C[C@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000641219267 531786509 /nfs/dbraw/zinc/78/65/09/531786509.db2.gz FQYQSCSVTHYAQE-HNNXBMFYSA-N 1 0 388.299 1.805 20 0 GDADRO COCC[C@@H]([NH3+])Cc1cn(C[C@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000641219751 531787038 /nfs/dbraw/zinc/78/70/38/531787038.db2.gz KCFHCNUCQHVDIX-HIFRSBDPSA-N 1 0 389.283 1.931 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@@H]([NH3+])[C@H]3C)C2)s1 ZINC000297374177 531787099 /nfs/dbraw/zinc/78/70/99/531787099.db2.gz MBDZCFFYXZQYSC-QLFBSQMISA-N 1 0 385.555 1.795 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3cncc(Cl)c3)CC2)CC1 ZINC000366884078 531788680 /nfs/dbraw/zinc/78/86/80/531788680.db2.gz NYGZDCNWEZNDRR-UHFFFAOYSA-N 1 0 386.949 1.914 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641250350 531789159 /nfs/dbraw/zinc/78/91/59/531789159.db2.gz SSJUUOVTWNLGDS-UHFFFAOYSA-N 1 0 376.280 1.112 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417893479 531789498 /nfs/dbraw/zinc/78/94/98/531789498.db2.gz NYAVJONKFXWQTQ-GJZGRUSLSA-N 1 0 383.334 1.973 20 0 GDADRO CCOC(=O)c1sc([C@@H](C)NC(=O)N[C@H]2C[NH2+]CCC2(F)F)nc1C ZINC000417889752 531789732 /nfs/dbraw/zinc/78/97/32/531789732.db2.gz PKNAZVMNJBEZKZ-ZJUUUORDSA-N 1 0 376.429 1.986 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000417913528 531790529 /nfs/dbraw/zinc/79/05/29/531790529.db2.gz QKYCRSYNODZBMF-ZDUSSCGKSA-N 1 0 376.548 1.383 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000417922243 531791070 /nfs/dbraw/zinc/79/10/70/531791070.db2.gz FCYYUGIQUCJGJG-UHFFFAOYSA-N 1 0 382.939 1.306 20 0 GDADRO OCCOC1(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CCOCC1 ZINC000282743061 531791072 /nfs/dbraw/zinc/79/10/72/531791072.db2.gz RVCAXHANCRUCJK-UHFFFAOYSA-N 1 0 388.258 1.826 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000417922712 531791194 /nfs/dbraw/zinc/79/11/94/531791194.db2.gz FWWOFHIDPFJYRK-LLVKDONJSA-N 1 0 396.966 1.695 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623018830 531791523 /nfs/dbraw/zinc/79/15/23/531791523.db2.gz XRWWFHMEXJFTNS-NSHDSACASA-N 1 0 379.262 1.496 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)Nc1ccc(Br)cc1F ZINC000592492399 531793643 /nfs/dbraw/zinc/79/36/43/531793643.db2.gz QYCQXELEYGQPQP-ZDUSSCGKSA-N 1 0 388.237 1.364 20 0 GDADRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000417925915 531793790 /nfs/dbraw/zinc/79/37/90/531793790.db2.gz KEVBFACUZILZAK-MNOVXSKESA-N 1 0 394.950 1.367 20 0 GDADRO [NH3+][C@H]1CCC[C@H](CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000562980275 531794366 /nfs/dbraw/zinc/79/43/66/531794366.db2.gz PLDHASHLANGPTK-AAEUAGOBSA-N 1 0 393.285 1.793 20 0 GDADRO O=S(=O)(N[C@H]1CCC[NH2+]CC1)c1cc(Br)cc2c1OCC2 ZINC000366944360 531794437 /nfs/dbraw/zinc/79/44/37/531794437.db2.gz DDJCCDOMERGFTK-LBPRGKRZSA-N 1 0 375.288 1.804 20 0 GDADRO O=C(NCC[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1cccnc1 ZINC000562988951 531795211 /nfs/dbraw/zinc/79/52/11/531795211.db2.gz UNQNRRKRNPVFLY-OAHLLOKOSA-N 1 0 394.269 1.603 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000417995280 531795825 /nfs/dbraw/zinc/79/58/25/531795825.db2.gz CZNYKEVASOSWAC-AWEZNQCLSA-N 1 0 394.317 1.676 20 0 GDADRO COCC1(CNC(=O)c2nc3ccc(Br)cn3n2)CC[NH2+]CC1 ZINC000623069950 531798327 /nfs/dbraw/zinc/79/83/27/531798327.db2.gz 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392.884 1.055 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000282895173 531808490 /nfs/dbraw/zinc/80/84/90/531808490.db2.gz DYLSJTMIBOPVCC-AWEZNQCLSA-N 1 0 391.559 1.336 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Br)o2)CC12CCOCC2 ZINC000563130267 531810094 /nfs/dbraw/zinc/81/00/94/531810094.db2.gz YEHPJJSOPBULJO-JTQLQIEISA-N 1 0 379.276 1.418 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2sccc2S(N)(=O)=O)Cc2ccccc2C1 ZINC000669145467 531810301 /nfs/dbraw/zinc/81/03/01/531810301.db2.gz FZPAKKPCLOCAQD-UHFFFAOYSA-N 1 0 379.507 1.225 20 0 GDADRO [NH3+]CC[C@H](NC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)C(F)F ZINC000418164290 531810510 /nfs/dbraw/zinc/81/05/10/531810510.db2.gz ICLIHQSUHVIAFV-MNOVXSKESA-N 1 0 396.485 1.040 20 0 GDADRO OC[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@H]1O ZINC000515477177 531810706 /nfs/dbraw/zinc/81/07/06/531810706.db2.gz ZITSWFDTHIJYCR-VZJVUDMVSA-N 1 0 378.238 1.003 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418163692 531811164 /nfs/dbraw/zinc/81/11/64/531811164.db2.gz HAMPYDCHMPKWOJ-RYUDHWBXSA-N 1 0 392.884 1.327 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000297674914 531812496 /nfs/dbraw/zinc/81/24/96/531812496.db2.gz DIRBROVWCQLZDM-AAEUAGOBSA-N 1 0 384.274 1.553 20 0 GDADRO CC1(C)[C@H](CS(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1(F)F ZINC000641385212 531813444 /nfs/dbraw/zinc/81/34/44/531813444.db2.gz MSUHLQZRLLQQIO-KKUMJFAQSA-N 1 0 380.501 1.965 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1ccc2ccccc2c1Br ZINC000515844247 531813542 /nfs/dbraw/zinc/81/35/42/531813542.db2.gz WGPRFOHPRFCXAV-CYBMUJFWSA-N 1 0 398.326 1.784 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000418181361 531814758 /nfs/dbraw/zinc/81/47/58/531814758.db2.gz IPAADYGMZUAWJB-CHWSQXEVSA-N 1 0 388.921 1.305 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2cc(F)c(F)cc2Br)CCO1 ZINC000669584908 531816001 /nfs/dbraw/zinc/81/60/01/531816001.db2.gz VHRPNKRAMYAAKC-ISVAXAHUSA-N 1 0 378.217 1.985 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000418194035 531816073 /nfs/dbraw/zinc/81/60/73/531816073.db2.gz DLJBZRNXUNWKSU-KGLIPLIRSA-N 1 0 388.559 1.574 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000669581560 531816479 /nfs/dbraw/zinc/81/64/79/531816479.db2.gz HATZTNXICNJCCV-GFCCVEGCSA-N 1 0 392.884 1.199 20 0 GDADRO C[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000418275932 531817532 /nfs/dbraw/zinc/81/75/32/531817532.db2.gz DQKSWEQXKRXEBX-UHFFFAOYSA-N 1 0 392.884 1.105 20 0 GDADRO Cc1ncc(S(=O)(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000270028140 531823609 /nfs/dbraw/zinc/82/36/09/531823609.db2.gz XVGQVJJQMNCXBN-UHFFFAOYSA-N 1 0 380.539 1.677 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1Br ZINC000453827395 531830072 /nfs/dbraw/zinc/83/00/72/531830072.db2.gz XLFBQMNSRHJHSB-CYBMUJFWSA-N 1 0 398.301 1.659 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000418396713 531824486 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COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000670271250 531829148 /nfs/dbraw/zinc/82/91/48/531829148.db2.gz DHDIVAWOQGKSCH-PKSQDBQZSA-N 1 0 389.905 1.736 20 0 GDADRO CCC1(N2CCOCC2)CCN(C(=O)N[C@H](C)CS(=O)(=O)CC)CC1 ZINC000623727985 531820823 /nfs/dbraw/zinc/82/08/23/531820823.db2.gz VRQOGKJJLHAKGV-OAHLLOKOSA-N 1 0 375.535 1.096 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000418288048 531820869 /nfs/dbraw/zinc/82/08/69/531820869.db2.gz ALYKOPBVDVBZJA-UHFFFAOYSA-N 1 0 385.306 1.504 20 0 GDADRO CC[NH2+]CCNC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000418320726 531821334 /nfs/dbraw/zinc/82/13/34/531821334.db2.gz WLFFOHQEXLEWEG-CYBMUJFWSA-N 1 0 388.306 1.517 20 0 GDADRO C[NH2+]CCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000418329184 531821388 /nfs/dbraw/zinc/82/13/88/531821388.db2.gz OCSIZCLPXWPCCL-UHFFFAOYSA-N 1 0 384.278 1.424 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453922677 531832867 /nfs/dbraw/zinc/83/28/67/531832867.db2.gz 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ZINC000418753645 531837475 /nfs/dbraw/zinc/83/74/75/531837475.db2.gz DEFFJFIFQAPVOA-SWLSCSKDSA-N 1 0 385.306 1.075 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000418752195 531837652 /nfs/dbraw/zinc/83/76/52/531837652.db2.gz BJCXTYURLRZNBV-NSHDSACASA-N 1 0 385.281 1.560 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000418782287 531838745 /nfs/dbraw/zinc/83/87/45/531838745.db2.gz MZFAMQQHCXOTHD-NSHDSACASA-N 1 0 384.274 1.190 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000624368018 531839975 /nfs/dbraw/zinc/83/99/75/531839975.db2.gz BFWBTDIVBHINAL-STQMWFEESA-N 1 0 375.441 1.736 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)n1 ZINC000563371328 531830982 /nfs/dbraw/zinc/83/09/82/531830982.db2.gz LUNQPAZUBHZAFT-UHFFFAOYSA-N 1 0 385.877 1.722 20 0 GDADRO CN(C(=O)C(=O)NCc1ccc(F)cc1Br)[C@H]1CCC[NH2+]CC1 ZINC000418831169 531849301 /nfs/dbraw/zinc/84/93/01/531849301.db2.gz YMCXRFDJGCLOFN-ZDUSSCGKSA-N 1 0 386.265 1.805 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418833824 531849626 /nfs/dbraw/zinc/84/96/26/531849626.db2.gz NVWFIZRBKICPSX-UONOGXRCSA-N 1 0 382.302 1.865 20 0 GDADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000641697868 531850029 /nfs/dbraw/zinc/85/00/29/531850029.db2.gz MCASOQNDFYCOAY-UHFFFAOYSA-N 1 0 388.555 1.977 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418836634 531850069 /nfs/dbraw/zinc/85/00/69/531850069.db2.gz VACDIYNZFZVIRL-AVGNSLFASA-N 1 0 398.276 1.819 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000283308487 531850183 /nfs/dbraw/zinc/85/01/83/531850183.db2.gz HZDVTWGESHIIDI-YPMHNXCESA-N 1 0 389.905 1.135 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418838502 531850411 /nfs/dbraw/zinc/85/04/11/531850411.db2.gz BENJERVGBRCTPP-JTQLQIEISA-N 1 0 381.274 1.300 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)Cc2cccc(Br)c2)C1 ZINC000418848473 531852514 /nfs/dbraw/zinc/85/25/14/531852514.db2.gz YXAHDVDDCQWRRM-GXTWGEPZSA-N 1 0 382.302 1.564 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418846867 531853261 /nfs/dbraw/zinc/85/32/61/531853261.db2.gz SWXTVVGQSKTOSJ-QWHCGFSZSA-N 1 0 382.302 1.612 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000418847834 531853354 /nfs/dbraw/zinc/85/33/54/531853354.db2.gz WMDBNHAJIOLKQO-BZPMIXESSA-N 1 0 382.302 1.692 20 0 GDADRO Brc1cc(C[NH2+][C@H]2COC[C@H]2n2ccnn2)cc2c1OCCO2 ZINC000671477198 531853601 /nfs/dbraw/zinc/85/36/01/531853601.db2.gz VMZWTWBUCMYIOD-QWHCGFSZSA-N 1 0 381.230 1.542 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000283346252 531853807 /nfs/dbraw/zinc/85/38/07/531853807.db2.gz DLIAXKAJFUEPAQ-UHFFFAOYSA-N 1 0 386.290 1.993 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc3nsnc32)CC[C@H]1C(F)(F)F ZINC000624389927 531840457 /nfs/dbraw/zinc/84/04/57/531840457.db2.gz PMVUXBWAKDKHAH-RKDXNWHRSA-N 1 0 380.417 1.839 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)CCOCC1 ZINC000624387433 531840683 /nfs/dbraw/zinc/84/06/83/531840683.db2.gz PLGIXQGKVPSZTM-UHFFFAOYSA-N 1 0 383.695 1.889 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418811018 531844435 /nfs/dbraw/zinc/84/44/35/531844435.db2.gz PLPOSZXHRBQMKF-GHMZBOCLSA-N 1 0 384.299 1.519 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000418811926 531844448 /nfs/dbraw/zinc/84/44/48/531844448.db2.gz QQXALCSESQPNOR-UHIISALHSA-N 1 0 384.249 1.510 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367534475 531844465 /nfs/dbraw/zinc/84/44/65/531844465.db2.gz WATFXYOFTGFZBY-GFCCVEGCSA-N 1 0 384.274 1.841 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000641624855 531845014 /nfs/dbraw/zinc/84/50/14/531845014.db2.gz OZXJGZNGIGJQAW-HOCLYGCPSA-N 1 0 380.576 1.193 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC[NH2+]1 ZINC000418813878 531845056 /nfs/dbraw/zinc/84/50/56/531845056.db2.gz UKQQFGQWHAKTJL-LNFKQOIKSA-N 1 0 386.315 1.739 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc(F)cc3Br)C[C@H]12 ZINC000418816494 531846673 /nfs/dbraw/zinc/84/66/73/531846673.db2.gz LWSDXDBUYSJXQU-SCDSUCTJSA-N 1 0 384.249 1.400 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000418827838 531848052 /nfs/dbraw/zinc/84/80/52/531848052.db2.gz HHIYZELJURNEMK-TUKIKUTGSA-N 1 0 380.286 1.489 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@H]1CCC[NH2+]CC1)CC2 ZINC000642980576 531866008 /nfs/dbraw/zinc/86/60/08/531866008.db2.gz HIVVCPLDABRTBP-AWEZNQCLSA-N 1 0 394.313 1.901 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000418935716 531866172 /nfs/dbraw/zinc/86/61/72/531866172.db2.gz MOFZNIZHHWHURU-HNNXBMFYSA-N 1 0 394.313 1.807 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418932757 531866427 /nfs/dbraw/zinc/86/64/27/531866427.db2.gz AGYDACDNZUSHRX-HNNXBMFYSA-N 1 0 378.270 1.589 20 0 GDADRO C[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000283480275 531867418 /nfs/dbraw/zinc/86/74/18/531867418.db2.gz GYKKYPQHBIKJOD-UHFFFAOYSA-N 1 0 382.302 1.913 20 0 GDADRO CN(C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21)C1CC[NH2+]CC1 ZINC000418940837 531867479 /nfs/dbraw/zinc/86/74/79/531867479.db2.gz JJGCMYCGRRBMBB-HNNXBMFYSA-N 1 0 380.286 1.763 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C[C@H]1[NH+](C)C ZINC000270424070 531867574 /nfs/dbraw/zinc/86/75/74/531867574.db2.gz DQQRAQNDULXSMU-CABCVRRESA-N 1 0 382.917 1.987 20 0 GDADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418940405 531867764 /nfs/dbraw/zinc/86/77/64/531867764.db2.gz JCNPGUVBANXAKJ-DZGCQCFKSA-N 1 0 380.286 1.811 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418937319 531867888 /nfs/dbraw/zinc/86/78/88/531867888.db2.gz OMCSWYZLADUFRC-CYBMUJFWSA-N 1 0 394.313 1.807 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000418942919 531868882 /nfs/dbraw/zinc/86/88/82/531868882.db2.gz YMSABLGDGWPENQ-LLVKDONJSA-N 1 0 388.331 1.772 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c(C)c1Cl ZINC000367830798 531868879 /nfs/dbraw/zinc/86/88/79/531868879.db2.gz FCXNRXLBMXUCIV-SECBINFHSA-N 1 0 378.903 1.917 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000367832525 531868976 /nfs/dbraw/zinc/86/89/76/531868976.db2.gz ODSGJEOMSUSADI-CQSZACIVSA-N 1 0 391.490 1.008 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ncccc2Br)C[C@@H]1[NH+](C)C ZINC000594764603 531855899 /nfs/dbraw/zinc/85/58/99/531855899.db2.gz AYVFOICEHPTHLG-WDEREUQCSA-N 1 0 380.333 1.510 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000418856215 531856020 /nfs/dbraw/zinc/85/60/20/531856020.db2.gz OQLHARDWBWEKIJ-BXUZGUMPSA-N 1 0 398.301 1.603 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418866488 531857626 /nfs/dbraw/zinc/85/76/26/531857626.db2.gz NAESYHBAWVXLTQ-ZDUSSCGKSA-N 1 0 387.311 1.804 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270303086 531857814 /nfs/dbraw/zinc/85/78/14/531857814.db2.gz YTQPBIBUYJLGMV-CQSZACIVSA-N 1 0 385.555 1.802 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418868603 531858274 /nfs/dbraw/zinc/85/82/74/531858274.db2.gz QXKIOKUSDIEOIK-JSGCOSHPSA-N 1 0 397.317 1.244 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000298149534 531858482 /nfs/dbraw/zinc/85/84/82/531858482.db2.gz RICUYFHVZKMABW-UHFFFAOYSA-N 1 0 382.302 1.962 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(Br)cn1 ZINC000418867258 531858662 /nfs/dbraw/zinc/85/86/62/531858662.db2.gz OCSDPCWKTSIJGL-VXGBXAGGSA-N 1 0 383.290 1.527 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc(Br)cn1 ZINC000418868193 531858885 /nfs/dbraw/zinc/85/88/85/531858885.db2.gz PLCDOSKNWXLLLI-SDDRHHMPSA-N 1 0 383.290 1.465 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])c1ccc(Br)cn1 ZINC000418872436 531859308 /nfs/dbraw/zinc/85/93/08/531859308.db2.gz VZWQDBNPJWSEMN-MJVIPROJSA-N 1 0 383.290 1.607 20 0 GDADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)C(=O)NC1CC[NH2+]CC1 ZINC000418888147 531859998 /nfs/dbraw/zinc/85/99/98/531859998.db2.gz SSVZDMRAOHLAON-GFCCVEGCSA-N 1 0 386.221 1.006 20 0 GDADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)Cc2csc(C)n2)CC1 ZINC000671700488 531860135 /nfs/dbraw/zinc/86/01/35/531860135.db2.gz WUUIPQWPVXHRFI-UHFFFAOYSA-N 1 0 391.559 1.341 20 0 GDADRO Cc1cc(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)sc1Cl ZINC000563669565 531860294 /nfs/dbraw/zinc/86/02/94/531860294.db2.gz SQNNQRGVCGPVIH-UHFFFAOYSA-N 1 0 393.962 1.980 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc(Br)cn1 ZINC000418873342 531860395 /nfs/dbraw/zinc/86/03/95/531860395.db2.gz XNZOSHUBXKKDOC-RISCZKNCSA-N 1 0 397.317 1.916 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642433159 531860546 /nfs/dbraw/zinc/86/05/46/531860546.db2.gz FQCOYHNUVUXVSX-OAHLLOKOSA-N 1 0 394.313 1.855 20 0 GDADRO O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642408102 531860755 /nfs/dbraw/zinc/86/07/55/531860755.db2.gz WCSJEIIGDGJREH-ZWNOBZJWSA-N 1 0 378.885 1.776 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)CCc2c(F)cccc2F)CC1 ZINC000624847773 531861677 /nfs/dbraw/zinc/86/16/77/531861677.db2.gz YQSMOINXKSLPRR-UHFFFAOYSA-N 1 0 375.485 1.454 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1cccc(Br)c1 ZINC000642710660 531861983 /nfs/dbraw/zinc/86/19/83/531861983.db2.gz CGKIVFIXBROYIQ-HUBLWGQQSA-N 1 0 380.286 1.837 20 0 GDADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642711652 531862151 /nfs/dbraw/zinc/86/21/51/531862151.db2.gz ZZILZIYPODWANK-ZETOZRRWSA-N 1 0 388.295 1.615 20 0 GDADRO OCCO[C@]1(C[NH2+]Cc2ccc(F)cc2I)CCOC1 ZINC000594974573 531862887 /nfs/dbraw/zinc/86/28/87/531862887.db2.gz MGAGHXKRCSUYRX-AWEZNQCLSA-N 1 0 395.212 1.688 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642724379 531863394 /nfs/dbraw/zinc/86/33/94/531863394.db2.gz JZHXXUJMPMVRPF-CYBMUJFWSA-N 1 0 384.274 1.332 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000563805962 531863424 /nfs/dbraw/zinc/86/34/24/531863424.db2.gz MRAMYDXRSARVPG-ZIAGYGMSSA-N 1 0 376.906 1.402 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2cc(Br)ccc2F)C[C@H](C)[NH2+]1 ZINC000418922334 531863435 /nfs/dbraw/zinc/86/34/35/531863435.db2.gz KRYUDEMISKMSLU-PHIMTYICSA-N 1 0 386.265 1.456 20 0 GDADRO COC(=O)c1sc(C)cc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000594983486 531863824 /nfs/dbraw/zinc/86/38/24/531863824.db2.gz NMILOGHRWLSLBC-INIZCTEOSA-N 1 0 385.511 1.335 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCC2(c3ccc(Br)cc3)CCC2)CCC1 ZINC000418931459 531864791 /nfs/dbraw/zinc/86/47/91/531864791.db2.gz FWPATSNWSUYDOF-UHFFFAOYSA-N 1 0 394.313 1.985 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC000367797890 531865179 /nfs/dbraw/zinc/86/51/79/531865179.db2.gz MZQOYBPFGAAVLR-ZWNOBZJWSA-N 1 0 375.288 1.830 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418949731 531871040 /nfs/dbraw/zinc/87/10/40/531871040.db2.gz SCJZGRDTHKRVPY-UHFFFAOYSA-N 1 0 398.276 1.807 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(I)ccc1C ZINC000595245528 531871050 /nfs/dbraw/zinc/87/10/50/531871050.db2.gz UOOJTKMPYBNLGD-SECBINFHSA-N 1 0 375.210 1.262 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc(Cl)c1F ZINC000595241905 531871328 /nfs/dbraw/zinc/87/13/28/531871328.db2.gz MTSIRXXUBKMKJX-GHMZBOCLSA-N 1 0 375.759 1.102 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(I)c1 ZINC000595243080 531871899 /nfs/dbraw/zinc/87/18/99/531871899.db2.gz AJMOETMYPDNXEM-VIFPVBQESA-N 1 0 375.210 1.262 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418964601 531873483 /nfs/dbraw/zinc/87/34/83/531873483.db2.gz JZBYMGRIVUHSKE-SNVBAGLBSA-N 1 0 383.279 1.954 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)[C@@H](C)C[NH2+]1 ZINC000418973153 531874105 /nfs/dbraw/zinc/87/41/05/531874105.db2.gz OMGFBJFNQWLFCS-ZJUUUORDSA-N 1 0 394.273 1.150 20 0 GDADRO O=S1(=O)CCN(C2CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC2)CC1 ZINC000367893745 531874905 /nfs/dbraw/zinc/87/49/05/531874905.db2.gz ZMWKMNDHCAQIHD-GOSISDBHSA-N 1 0 386.945 1.438 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(Cl)cc1F ZINC000565653281 531875032 /nfs/dbraw/zinc/87/50/32/531875032.db2.gz DHGHHUGYEHILMY-VIFPVBQESA-N 1 0 378.775 1.660 20 0 GDADRO CCCN(C(=O)C(=O)NCCc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000418987598 531875540 /nfs/dbraw/zinc/87/55/40/531875540.db2.gz HSBPAXLHVWHMHM-OAHLLOKOSA-N 1 0 382.302 1.708 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2ccc(I)cn2)CC1 ZINC000455646813 531876604 /nfs/dbraw/zinc/87/66/04/531876604.db2.gz XXBQDYQBOFPAHD-UHFFFAOYSA-N 1 0 388.253 1.054 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)c(F)c3)C[C@H]21 ZINC000419034198 531884427 /nfs/dbraw/zinc/88/44/27/531884427.db2.gz DIBXQIUSCHMMQE-LALPHHSUSA-N 1 0 398.276 1.790 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000283580438 531877605 /nfs/dbraw/zinc/87/76/05/531877605.db2.gz OXWQWFRQQITJOE-UHFFFAOYSA-N 1 0 382.302 1.866 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1Br ZINC000419008471 531878782 /nfs/dbraw/zinc/87/87/82/531878782.db2.gz LKLBBZMDNNZBEH-WDMOLILDSA-N 1 0 398.301 1.892 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1csnn1 ZINC000566086448 531879058 /nfs/dbraw/zinc/87/90/58/531879058.db2.gz CIBGPLHGCZAJIL-HZMBPMFUSA-N 1 0 381.889 1.788 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419015256 531880463 /nfs/dbraw/zinc/88/04/63/531880463.db2.gz BFXCGXQJJVDGAR-DOMZBBRYSA-N 1 0 382.302 1.836 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cs1 ZINC000595405124 531880708 /nfs/dbraw/zinc/88/07/08/531880708.db2.gz TWEATLAIDBGBFN-GFCCVEGCSA-N 1 0 376.500 1.266 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000566250834 531882731 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GDADRO CC[C@H]1CN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[C@@H]1[NH3+] ZINC000647007364 531892421 /nfs/dbraw/zinc/89/24/21/531892421.db2.gz AHFBRSQHBRASAR-CABZTGNLSA-N 1 0 382.258 1.979 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000646996782 531892519 /nfs/dbraw/zinc/89/25/19/531892519.db2.gz XYMFMHZBIDJZCC-USWWRNFRSA-N 1 0 394.269 1.820 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419055568 531893968 /nfs/dbraw/zinc/89/39/68/531893968.db2.gz OMCZZJLVGVFBQM-ZOWXZIJZSA-N 1 0 382.302 1.611 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)CC[NH2+]1 ZINC000419057117 531894777 /nfs/dbraw/zinc/89/47/77/531894777.db2.gz TUKVQGQLFSDUHD-ONGXEEELSA-N 1 0 388.693 1.975 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1cc(Br)cs1 ZINC000283788840 531894826 /nfs/dbraw/zinc/89/48/26/531894826.db2.gz GHMDLTPJNKBOPL-GWCFXTLKSA-N 1 0 388.331 1.925 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419058977 531894992 /nfs/dbraw/zinc/89/49/92/531894992.db2.gz XDTHVFFCBHSDEN-MWLCHTKSSA-N 1 0 388.693 1.962 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2sc3c(c2I)CNC3)C1 ZINC000595948585 531895061 /nfs/dbraw/zinc/89/50/61/531895061.db2.gz SLBHKZPDQSICJR-HTQZYQBOSA-N 1 0 391.278 1.765 20 0 GDADRO CC[NH+](CC)CCCNC(=O)C(=O)NCc1cc(Br)cs1 ZINC000283784168 531895291 /nfs/dbraw/zinc/89/52/91/531895291.db2.gz FSZPDSXJJLRUMK-UHFFFAOYSA-N 1 0 376.320 1.975 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000419058192 531895361 /nfs/dbraw/zinc/89/53/61/531895361.db2.gz VXDHJCLUNYNDKJ-OSAQELSMSA-N 1 0 382.302 1.740 20 0 GDADRO CN(CC[C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(I)cc1 ZINC000567605308 531899628 /nfs/dbraw/zinc/89/96/28/531899628.db2.gz NAOFVSLYSLDCSW-NSHDSACASA-N 1 0 394.278 1.911 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)NCC3([NH3+])CCC3)s2)cs1 ZINC000419066824 531895692 /nfs/dbraw/zinc/89/56/92/531895692.db2.gz DBHCMKAJIXRBIB-UHFFFAOYSA-N 1 0 378.523 1.836 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368126209 531895801 /nfs/dbraw/zinc/89/58/01/531895801.db2.gz PXQQYWDWWVNOGK-SOUVJXGZSA-N 1 0 397.313 1.941 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)s2)cs1 ZINC000419076255 531897340 /nfs/dbraw/zinc/89/73/40/531897340.db2.gz OBPMLJMGFHVUFE-LBPRGKRZSA-N 1 0 378.523 1.707 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000567581511 531897845 /nfs/dbraw/zinc/89/78/45/531897845.db2.gz FWXUPAAUSGXWIY-GOEBONIOSA-N 1 0 386.334 1.414 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000419076976 531897973 /nfs/dbraw/zinc/89/79/73/531897973.db2.gz IKDKJMCRYPPOES-ZDUSSCGKSA-N 1 0 394.313 1.665 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000419075031 531898307 /nfs/dbraw/zinc/89/83/07/531898307.db2.gz FPFSMLWMMFRVQL-UHFFFAOYSA-N 1 0 394.313 1.807 20 0 GDADRO Cc1c(Br)cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c(=O)n1C ZINC000298529129 531898755 /nfs/dbraw/zinc/89/87/55/531898755.db2.gz JBZDZSQXLKEKJL-GFCCVEGCSA-N 1 0 386.290 1.033 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419038270 531885680 /nfs/dbraw/zinc/88/56/80/531885680.db2.gz JMWZXTGYPJKFFY-RWMBFGLXSA-N 1 0 398.276 1.709 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000419036925 531886101 /nfs/dbraw/zinc/88/61/01/531886101.db2.gz CBWBOMLRIJTEEK-BXKDBHETSA-N 1 0 375.803 1.801 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000419041787 531887599 /nfs/dbraw/zinc/88/75/99/531887599.db2.gz KLPGFHLRTLAJQB-LPEHRKFASA-N 1 0 378.420 1.973 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368054155 531887991 /nfs/dbraw/zinc/88/79/91/531887991.db2.gz KBGSLOUOACYVKT-QWRGUYRKSA-N 1 0 392.253 1.113 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419043255 531888188 /nfs/dbraw/zinc/88/81/88/531888188.db2.gz NCZSJZKJOLYXMZ-AEJSXWLSSA-N 1 0 378.420 1.925 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419042764 531888236 /nfs/dbraw/zinc/88/82/36/531888236.db2.gz MDJIEUZWTSICDQ-AEJSXWLSSA-N 1 0 378.420 1.925 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000419042579 531888318 /nfs/dbraw/zinc/88/83/18/531888318.db2.gz LXTOJPVICPNSDW-IVZWLZJFSA-N 1 0 376.404 1.407 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419044168 531888373 /nfs/dbraw/zinc/88/83/73/531888373.db2.gz SLKCIQKZFFLRKO-JTNHKYCSSA-N 1 0 396.285 1.775 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419044169 531888550 /nfs/dbraw/zinc/88/85/50/531888550.db2.gz SLKCIQKZFFLRKO-SUNKGSAMSA-N 1 0 396.285 1.775 20 0 GDADRO O=C(NCc1cc(Cl)ccc1OC(F)F)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419043002 531888833 /nfs/dbraw/zinc/88/88/33/531888833.db2.gz MVEZGYXXFBHGDQ-SNVBAGLBSA-N 1 0 375.803 1.673 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc(Br)c(F)c3)C[C@H]12 ZINC000419044209 531888871 /nfs/dbraw/zinc/88/88/71/531888871.db2.gz SRVOXYIJKNPAOZ-COPLHBTASA-N 1 0 384.249 1.400 20 0 GDADRO Cc1c(Br)ccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1F ZINC000566504456 531889634 /nfs/dbraw/zinc/88/96/34/531889634.db2.gz JFHAXYCGRCCVPT-KOLCDFICSA-N 1 0 385.237 1.672 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC1 ZINC000298526956 531899493 /nfs/dbraw/zinc/89/94/93/531899493.db2.gz YLQCTKNODMXHNW-UHFFFAOYSA-N 1 0 389.905 1.042 20 0 GDADRO C[C@H](CNS(=O)(=O)Cc1ccccc1Br)N1CC[NH+](C)CC1 ZINC000566696989 531890723 /nfs/dbraw/zinc/89/07/23/531890723.db2.gz YZPVGAMJYHZMCM-CYBMUJFWSA-N 1 0 390.347 1.504 20 0 GDADRO Cc1nc(C(F)(F)F)c(CN2CCCN(S(=O)(=O)N(C)C)CC2)s1 ZINC000368090236 531890748 /nfs/dbraw/zinc/89/07/48/531890748.db2.gz QODJWLHRFRHPRP-UHFFFAOYSA-N 1 0 386.465 1.784 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000283745836 531890794 /nfs/dbraw/zinc/89/07/94/531890794.db2.gz NOAJQZVVHFVLMR-AWEZNQCLSA-N 1 0 398.301 1.847 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419154195 531905639 /nfs/dbraw/zinc/90/56/39/531905639.db2.gz PUYBURVBXFZWBZ-GFCCVEGCSA-N 1 0 398.301 1.314 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2cc(F)ccc2Br)C1 ZINC000419156348 531905692 /nfs/dbraw/zinc/90/56/92/531905692.db2.gz JNDDQHUDBOKEHN-GHMZBOCLSA-N 1 0 386.265 1.790 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCc2ccc(Br)cc2OC)C1 ZINC000419156236 531905821 /nfs/dbraw/zinc/90/58/21/531905821.db2.gz SQIPEOBFBHFLQI-AWEZNQCLSA-N 1 0 398.301 1.327 20 0 GDADRO CCCN(C(=O)C(=O)NCc1cccc(C)c1Br)[C@H]1CC[NH2+]C1 ZINC000419164124 531907292 /nfs/dbraw/zinc/90/72/92/531907292.db2.gz LHHXFLUBBYIOOY-AWEZNQCLSA-N 1 0 382.302 1.974 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419162688 531907305 /nfs/dbraw/zinc/90/73/05/531907305.db2.gz HVEHYYNBECQZHW-UHFFFAOYSA-N 1 0 382.302 1.880 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000419161854 531907470 /nfs/dbraw/zinc/90/74/70/531907470.db2.gz FKECREKSUZBLEA-BPLDGKMQSA-N 1 0 394.313 1.878 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000648140646 531908361 /nfs/dbraw/zinc/90/83/61/531908361.db2.gz FBRXPRKBMAEFJV-CYBMUJFWSA-N 1 0 392.308 1.530 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368385451 531908516 /nfs/dbraw/zinc/90/85/16/531908516.db2.gz OIJWRQPQVWDROU-VGMNWLOBSA-N 1 0 378.267 1.445 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1Br ZINC000419166071 531908634 /nfs/dbraw/zinc/90/86/34/531908634.db2.gz OCCYFVWUHIWIIY-CQSZACIVSA-N 1 0 382.302 1.974 20 0 GDADRO [NH3+]C1(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CCC1 ZINC000568505699 531909168 /nfs/dbraw/zinc/90/91/68/531909168.db2.gz AFJBABWLVYHLAZ-LLVKDONJSA-N 1 0 381.274 1.903 20 0 GDADRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675818862 531912301 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O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419105256 531901245 /nfs/dbraw/zinc/90/12/45/531901245.db2.gz NPWCQHNWYODPSN-GHMZBOCLSA-N 1 0 378.885 1.634 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000368308298 531903008 /nfs/dbraw/zinc/90/30/08/531903008.db2.gz RQVSYEPZEAYBKP-KRWDZBQOSA-N 1 0 385.917 1.758 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000419149807 531904302 /nfs/dbraw/zinc/90/43/02/531904302.db2.gz KJTUOBOSZCBTRS-LLVKDONJSA-N 1 0 394.273 1.057 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(S(=O)(=O)NCCOC)c2)[C@@H]1SC ZINC000298607047 531904771 /nfs/dbraw/zinc/90/47/71/531904771.db2.gz ZTBCCTUODZNYEY-BBWFWOEESA-N 1 0 388.555 1.610 20 0 GDADRO O=C(NCc1ccc(Br)cc1Cl)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419139382 531904996 /nfs/dbraw/zinc/90/49/96/531904996.db2.gz UNOHOGUSESXBLC-GFCCVEGCSA-N 1 0 388.693 1.977 20 0 GDADRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000568745868 531917361 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NC(=O)c1c(F)cc(Br)cc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678312618 531919994 /nfs/dbraw/zinc/91/99/94/531919994.db2.gz HXWSHJRMKWUVDY-GFCCVEGCSA-N 1 0 386.265 1.988 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1csc(-c2cccs2)n1 ZINC000649079438 531920644 /nfs/dbraw/zinc/92/06/44/531920644.db2.gz BGTVXEFGEPBDLP-LBPRGKRZSA-N 1 0 378.523 1.993 20 0 GDADRO CCS(=O)(=O)c1cccc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)c1 ZINC000270784105 531920959 /nfs/dbraw/zinc/92/09/59/531920959.db2.gz UMMSEHLQAZPRSD-ZDUSSCGKSA-N 1 0 381.523 1.729 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCOc1ccccc1Br ZINC000649077202 531921145 /nfs/dbraw/zinc/92/11/45/531921145.db2.gz NXAVIWPHQNFIFM-CYBMUJFWSA-N 1 0 398.301 1.796 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419295011 531921518 /nfs/dbraw/zinc/92/15/18/531921518.db2.gz CFVSNTXAPOKFIN-ZDUSSCGKSA-N 1 0 382.302 1.798 20 0 GDADRO CC(=O)N1CCN(CC[NH2+]Cc2cccc(I)c2)CC1 ZINC000284027233 531922550 /nfs/dbraw/zinc/92/25/50/531922550.db2.gz QVWNHKOQRDBJLG-UHFFFAOYSA-N 1 0 387.265 1.545 20 0 GDADRO COCCN1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000569474441 531922702 /nfs/dbraw/zinc/92/27/02/531922702.db2.gz FKXFGLDUQCHCHH-CVEARBPZSA-N 1 0 387.318 1.889 20 0 GDADRO C[C@@H]1CN(Cc2nnnn2-c2ccccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000419323815 531924125 /nfs/dbraw/zinc/92/41/25/531924125.db2.gz JKLZZNOCXIUSAC-OLZOCXBDSA-N 1 0 395.305 1.312 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)C1 ZINC000419329757 531924528 /nfs/dbraw/zinc/92/45/28/531924528.db2.gz GYDGJDRIJYTFGF-JQWIXIFHSA-N 1 0 380.901 1.852 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)CC1 ZINC000419330174 531925122 /nfs/dbraw/zinc/92/51/22/531925122.db2.gz HRBRDZCZRHXRNA-UHFFFAOYSA-N 1 0 380.901 1.806 20 0 GDADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000368648777 531926634 /nfs/dbraw/zinc/92/66/34/531926634.db2.gz XIGQQKOWRGLEAT-SOUVJXGZSA-N 1 0 398.276 1.870 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797337 531915111 /nfs/dbraw/zinc/91/51/11/531915111.db2.gz UOPORMNIYJNGIM-HNNXBMFYSA-N 1 0 391.331 1.150 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2cc(Br)ccc2OC)C1 ZINC000419211035 531915118 /nfs/dbraw/zinc/91/51/18/531915118.db2.gz WOTIDKZQHBZOSD-NSHDSACASA-N 1 0 384.274 1.142 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000648826116 531915413 /nfs/dbraw/zinc/91/54/13/531915413.db2.gz UMZISLUNMADYJH-HNNXBMFYSA-N 1 0 379.258 1.743 20 0 GDADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419239932 531916213 /nfs/dbraw/zinc/91/62/13/531916213.db2.gz FMKLMYAYLLLNKB-ZYHUDNBSSA-N 1 0 384.299 1.580 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)Cc1cccc(Br)c1 ZINC000419355648 531928796 /nfs/dbraw/zinc/92/87/96/531928796.db2.gz FFUONLRYNMBNLI-MLGOLLRUSA-N 1 0 396.329 1.988 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000419365688 531930171 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COc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)c(Br)c1 ZINC000626845451 531937820 /nfs/dbraw/zinc/93/78/20/531937820.db2.gz BZSZGSXRFVMFIE-AWEZNQCLSA-N 1 0 384.274 1.853 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)CC[NH2+]1 ZINC000419588266 531938412 /nfs/dbraw/zinc/93/84/12/531938412.db2.gz OPLSBGBRRIIMEW-UEKVPHQBSA-N 1 0 380.286 1.809 20 0 GDADRO Cc1cc(Br)sc1S(=O)(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000651552329 531939003 /nfs/dbraw/zinc/93/90/03/531939003.db2.gz JCWSRJUTERMACW-NSHDSACASA-N 1 0 396.376 1.733 20 0 GDADRO CC(C)([NH2+]CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000298917875 531939401 /nfs/dbraw/zinc/93/94/01/531939401.db2.gz NJXXCJRLAMGSNC-ZDUSSCGKSA-N 1 0 387.889 1.178 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000626170937 531927351 /nfs/dbraw/zinc/92/73/51/531927351.db2.gz RHRUVLPNARLRKH-HOCLYGCPSA-N 1 0 390.933 1.479 20 0 GDADRO COc1cc(Br)ccc1C[NH2+]CCCN1CCCS1(=O)=O ZINC000679773718 531927601 /nfs/dbraw/zinc/92/76/01/531927601.db2.gz WHPVTEFZEROXBW-UHFFFAOYSA-N 1 0 377.304 1.973 20 0 GDADRO COc1nccc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000569803973 531927710 /nfs/dbraw/zinc/92/77/10/531927710.db2.gz HGAGBGQBHDWJOA-ZDUSSCGKSA-N 1 0 386.221 1.916 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000626911338 531942049 /nfs/dbraw/zinc/94/20/49/531942049.db2.gz DTOREPJTQXMSDG-DTWKUNHWSA-N 1 0 378.230 1.197 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000419619868 531943179 /nfs/dbraw/zinc/94/31/79/531943179.db2.gz QFALAIJLFHEAPB-GFCCVEGCSA-N 1 0 386.290 1.401 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)Oc1ccc(Br)cc1 ZINC000419627639 531945265 /nfs/dbraw/zinc/94/52/65/531945265.db2.gz YKTKQNDUDBYIOV-UPJWGTAASA-N 1 0 398.301 1.541 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1Br ZINC000419627615 531945367 /nfs/dbraw/zinc/94/53/67/531945367.db2.gz YEHRJSLNKYYSAW-UPJWGTAASA-N 1 0 398.301 1.719 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652377465 531946113 /nfs/dbraw/zinc/94/61/13/531946113.db2.gz HQVOTOWERZLNKC-TZMCWYRMSA-N 1 0 390.527 1.237 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@H]1CC[NH3+] ZINC000652378684 531946169 /nfs/dbraw/zinc/94/61/69/531946169.db2.gz XPMBHDYRWSNHIQ-CJNGLKHVSA-N 1 0 389.543 1.075 20 0 GDADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)C2)CC1 ZINC000369164725 531946448 /nfs/dbraw/zinc/94/64/48/531946448.db2.gz GVHGFMCDMMKFIF-UHFFFAOYSA-N 1 0 380.436 1.942 20 0 GDADRO C[NH2+]CCOCCNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000627177127 531946853 /nfs/dbraw/zinc/94/68/53/531946853.db2.gz KFQZZJOTICRFNH-OAHLLOKOSA-N 1 0 386.290 1.768 20 0 GDADRO CC(C)(C)n1cc(Br)c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)n1 ZINC000627271454 531947973 /nfs/dbraw/zinc/94/79/73/531947973.db2.gz WCYPAEITHNFQIN-NEPJUHHUSA-N 1 0 385.306 1.682 20 0 GDADRO CCc1nc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cs1 ZINC000627393332 531950851 /nfs/dbraw/zinc/95/08/51/531950851.db2.gz VUTVJNHDAPKZSI-MWLCHTKSSA-N 1 0 378.420 1.307 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000570555424 531940512 /nfs/dbraw/zinc/94/05/12/531940512.db2.gz BPBURVXBHKMTPM-HNNXBMFYSA-N 1 0 389.543 1.019 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F ZINC000651638077 531940632 /nfs/dbraw/zinc/94/06/32/531940632.db2.gz LLZSISYCFYSIGH-UHFFFAOYSA-N 1 0 376.498 1.475 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1Br ZINC000419697371 531957794 /nfs/dbraw/zinc/95/77/94/531957794.db2.gz QKXFGCULIHIYFU-UHTWSYAYSA-N 1 0 375.288 1.754 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000627593915 531958923 /nfs/dbraw/zinc/95/89/23/531958923.db2.gz HLZIIYRALMEZFH-HZPDHXFCSA-N 1 0 387.933 1.748 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(I)c[nH]1 ZINC000597943256 531960944 /nfs/dbraw/zinc/96/09/44/531960944.db2.gz WLCFSKGWBFUBQR-NSHDSACASA-N 1 0 392.285 1.621 20 0 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O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OCC(F)F)cc1 ZINC000370079189 531980950 /nfs/dbraw/zinc/98/09/50/531980950.db2.gz ALRCNQOHDGTBNP-OCCSQVGLSA-N 1 0 376.425 1.472 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc2C1 ZINC000656928890 531980968 /nfs/dbraw/zinc/98/09/68/531980968.db2.gz DYRGGVKVYPYILT-GFCCVEGCSA-N 1 0 387.571 1.907 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ncccc1Br ZINC000656930989 531981048 /nfs/dbraw/zinc/98/10/48/531981048.db2.gz NEVIVYVGSDUFQL-LLVKDONJSA-N 1 0 380.308 1.479 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000419892338 531982209 /nfs/dbraw/zinc/98/22/09/531982209.db2.gz KZRCAMPYHWSHEW-LLVKDONJSA-N 1 0 386.315 1.870 20 0 GDADRO O[C@H](C[NH2+]C[C@H](O)[C@H]1CCCO1)COc1cc(F)cc(Br)c1 ZINC000629590049 531984383 /nfs/dbraw/zinc/98/43/83/531984383.db2.gz JSMARBLINCYIHW-VHDGCEQUSA-N 1 0 378.238 1.457 20 0 GDADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1c(I)cnn1C ZINC000598466748 531984517 /nfs/dbraw/zinc/98/45/17/531984517.db2.gz 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CERNULUKYDEJCC-MRXNPFEDSA-N 1 0 381.885 1.780 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420103251 532002792 /nfs/dbraw/zinc/00/27/92/532002792.db2.gz PCLZLDFZQXWRSB-RISCZKNCSA-N 1 0 398.301 1.530 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420095050 532000649 /nfs/dbraw/zinc/00/06/49/532000649.db2.gz RZNOKYCOTFISFZ-LLVKDONJSA-N 1 0 380.286 1.892 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000420101049 532002879 /nfs/dbraw/zinc/00/28/79/532002879.db2.gz LHGMKZDPLCLEOP-DOMZBBRYSA-N 1 0 398.301 1.401 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420079714 532001204 /nfs/dbraw/zinc/00/12/04/532001204.db2.gz QQOVWQMMAIKRBB-UHFFFAOYSA-N 1 0 382.302 1.793 20 0 GDADRO CSc1cc2c(cc1CN1CCN(c3nc(N)ns3)CC1)OCCO2 ZINC000271323820 532001375 /nfs/dbraw/zinc/00/13/75/532001375.db2.gz ZGRBHIQFGNPSBV-UHFFFAOYSA-N 1 0 379.511 1.936 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NCC1=CC[NH2+]CC1 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O=C1NC(=O)C2(CCC([NH2+][C@H](CO)c3cccc(Br)c3)CC2)N1 ZINC000576685389 532027849 /nfs/dbraw/zinc/02/78/49/532027849.db2.gz WFLCJBAUQPKWOA-MFOWVQHXSA-N 1 0 382.258 1.593 20 0 GDADRO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000577056057 532032524 /nfs/dbraw/zinc/03/25/24/532032524.db2.gz XJHFDAYIJINEAV-CXAGYDPISA-N 1 0 383.539 1.880 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000577391077 532035467 /nfs/dbraw/zinc/03/54/67/532035467.db2.gz QCGQKVXXDXXEBN-CABCVRRESA-N 1 0 380.286 1.981 20 0 GDADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)C[C@H]3CCC3(F)F)CC2)CC1 ZINC000632489775 532033336 /nfs/dbraw/zinc/03/33/36/532033336.db2.gz SJRHJKIVLJRPSS-OAHLLOKOSA-N 1 0 379.517 1.854 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)C2)CC1 ZINC000372882850 532050894 /nfs/dbraw/zinc/05/08/94/532050894.db2.gz QERYKPOHMVIKTE-CYBMUJFWSA-N 1 0 398.301 1.962 20 0 GDADRO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372873692 532050231 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1.678 20 0 GDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)Cc2cccc(Br)c2)CCO1 ZINC000286701469 532170018 /nfs/dbraw/zinc/17/00/18/532170018.db2.gz AURISUANLCMHJK-AWEZNQCLSA-N 1 0 377.304 1.541 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)C[C@@H]1[NH3+] ZINC000332204990 532170347 /nfs/dbraw/zinc/17/03/47/532170347.db2.gz YHPNPKAVUKACTB-ZETOZRRWSA-N 1 0 380.286 1.528 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC[NH2+]1 ZINC000332075769 532161990 /nfs/dbraw/zinc/16/19/90/532161990.db2.gz YKTFJTGQZUWUQN-VXGBXAGGSA-N 1 0 398.305 1.943 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000332080863 532162374 /nfs/dbraw/zinc/16/23/74/532162374.db2.gz KPLGANINRSCRCZ-UGUYLWEFSA-N 1 0 390.571 1.560 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000375378547 532163058 /nfs/dbraw/zinc/16/30/58/532163058.db2.gz MKCBRZIEURHWBN-RYUDHWBXSA-N 1 0 381.274 1.725 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 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QEILPRLMHBXVQO-RYUDHWBXSA-N 1 0 396.285 1.726 20 0 GDADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375787281 532183989 /nfs/dbraw/zinc/18/39/89/532183989.db2.gz DWGHVZLIZCLSGE-PMPSAXMXSA-N 1 0 382.302 1.507 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000286895487 532184244 /nfs/dbraw/zinc/18/42/44/532184244.db2.gz GPGHFJPRCHJPQW-JTQLQIEISA-N 1 0 382.313 1.728 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000375620216 532172892 /nfs/dbraw/zinc/17/28/92/532172892.db2.gz VHSPYCQPTFEQQL-HOCLYGCPSA-N 1 0 386.539 1.479 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)CCCO1 ZINC000332244108 532174096 /nfs/dbraw/zinc/17/40/96/532174096.db2.gz WKACIYHVRHRWKP-QMMMGPOBSA-N 1 0 385.230 1.466 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1F ZINC000286768979 532174346 /nfs/dbraw/zinc/17/43/46/532174346.db2.gz QHCJSHHTRIKZBW-NSHDSACASA-N 1 0 381.495 1.206 20 0 GDADRO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000332519508 532192316 /nfs/dbraw/zinc/19/23/16/532192316.db2.gz BQSPKQDYXSIMTM-DOMZBBRYSA-N 1 0 387.311 1.882 20 0 GDADRO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000376031238 532192296 /nfs/dbraw/zinc/19/22/96/532192296.db2.gz HCDUINUOXUVJQD-WMLDXEAASA-N 1 0 375.535 1.647 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000332522328 532192468 /nfs/dbraw/zinc/19/24/68/532192468.db2.gz ZRKLBEKCNJACAR-UHFFFAOYSA-N 1 0 398.276 1.859 20 0 GDADRO O=C(NC1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000332523109 532192804 /nfs/dbraw/zinc/19/28/04/532192804.db2.gz LKYKKFLESPVEGL-UHFFFAOYSA-N 1 0 386.905 1.108 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)cc1Br ZINC000332542853 532194093 /nfs/dbraw/zinc/19/40/93/532194093.db2.gz DVBBGWIXADEIGH-WDEREUQCSA-N 1 0 384.249 1.903 20 0 GDADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332544691 532194531 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532211566 /nfs/dbraw/zinc/21/15/66/532211566.db2.gz YYGOIPKHURKMTH-NSHDSACASA-N 1 0 379.324 1.596 20 0 GDADRO O=C([C@@H]1CCCN(C(=O)[C@@H]2SCCc3sccc32)C1)N1CC[NH2+]CC1 ZINC000428614525 532212486 /nfs/dbraw/zinc/21/24/86/532212486.db2.gz CHKOWNDYQJJOCE-CZUORRHYSA-N 1 0 379.551 1.749 20 0 GDADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC[C@H](NS(C)(=O)=O)C2)[C@H](C(F)(F)F)C1 ZINC000332638516 532202492 /nfs/dbraw/zinc/20/24/92/532202492.db2.gz AKMBYRURAICLBK-QJPTWQEYSA-N 1 0 385.452 1.045 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC[C@@H]1[NH3+] ZINC000332654406 532203319 /nfs/dbraw/zinc/20/33/19/532203319.db2.gz YYNGGSLNWDYRCE-ABAIWWIYSA-N 1 0 380.286 1.530 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000332645347 532203330 /nfs/dbraw/zinc/20/33/30/532203330.db2.gz HCRPCCYMKXEGOL-OCCSQVGLSA-N 1 0 381.274 1.687 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000332643725 532203489 /nfs/dbraw/zinc/20/34/89/532203489.db2.gz 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ZINC000333318246 532230298 /nfs/dbraw/zinc/23/02/98/532230298.db2.gz MOBOEPZOLBHYKX-PJXYFTJBSA-N 1 0 382.262 1.020 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000333316735 532230384 /nfs/dbraw/zinc/23/03/84/532230384.db2.gz MLIUDQROIPRMMO-WCQYABFASA-N 1 0 398.305 1.800 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)C1CCS(=O)(=O)CC1 ZINC000376820268 532230831 /nfs/dbraw/zinc/23/08/31/532230831.db2.gz SIFZLDBLSWGXCS-ZBFHGGJFSA-N 1 0 386.539 1.253 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000429722447 532233169 /nfs/dbraw/zinc/23/31/69/532233169.db2.gz YUBQALZLAUWKIZ-QWHCGFSZSA-N 1 0 389.905 1.737 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333410883 532233366 /nfs/dbraw/zinc/23/33/66/532233366.db2.gz ZVRLTEUISQDTJJ-NSHDSACASA-N 1 0 384.278 1.636 20 0 GDADRO CCN1CCOC[C@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000376547467 532219494 /nfs/dbraw/zinc/21/94/94/532219494.db2.gz JUGYMSZYFSGXRT-AWEZNQCLSA-N 1 0 384.274 1.016 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccsc1Br ZINC000287549626 532222400 /nfs/dbraw/zinc/22/24/00/532222400.db2.gz KIRXSGZPKICBHH-BXKDBHETSA-N 1 0 386.315 1.726 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1ccsc1Br ZINC000287569829 532224247 /nfs/dbraw/zinc/22/42/47/532224247.db2.gz LMUMBLFFBLSFOW-PWSUYJOCSA-N 1 0 388.331 1.925 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000429228180 532225536 /nfs/dbraw/zinc/22/55/36/532225536.db2.gz BVMYFHLTDHJTEX-NSHDSACASA-N 1 0 377.557 1.071 20 0 GDADRO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333243590 532226830 /nfs/dbraw/zinc/22/68/30/532226830.db2.gz BWDPITCADSIGBH-XUJVJEKNSA-N 1 0 378.270 1.622 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000274713340 532226840 /nfs/dbraw/zinc/22/68/40/532226840.db2.gz BEIAXCFQSSUWFJ-WMLDXEAASA-N 1 0 386.539 1.904 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2nc3cc(Br)ccn3n2)C[C@H]1C ZINC000333596976 532240743 /nfs/dbraw/zinc/24/07/43/532240743.db2.gz CFBHJMOEPVCXJH-MNOVXSKESA-N 1 0 381.278 2.438 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3COc4ccc(Br)cc43)C[C@H]2[NH3+])cn1 ZINC000333589853 532240882 /nfs/dbraw/zinc/24/08/82/532240882.db2.gz OWTQXNPOFWAQTM-RRFJBIMHSA-N 1 0 391.269 1.612 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000333640578 532242899 /nfs/dbraw/zinc/24/28/99/532242899.db2.gz ICOJGDVVPCFUAT-BYCMXARLSA-N 1 0 395.301 1.630 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000287877116 532247759 /nfs/dbraw/zinc/24/77/59/532247759.db2.gz ZQJGFSWNBKJRHD-SNVBAGLBSA-N 1 0 378.420 1.721 20 0 GDADRO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000430376977 532249067 /nfs/dbraw/zinc/24/90/67/532249067.db2.gz HTPAYOBMPWWHKC-AWEZNQCLSA-N 1 0 389.905 1.261 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000333838193 532251448 /nfs/dbraw/zinc/25/14/48/532251448.db2.gz UQOGKHVKPHVIGV-BFHYXJOUSA-N 1 0 386.543 1.328 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2nc(C)n(C)c2Br)C[C@H]1[NH+](C)C ZINC000287940358 532252590 /nfs/dbraw/zinc/25/25/90/532252590.db2.gz VVQZHVSQSFNBCY-ZJUUUORDSA-N 1 0 397.364 1.157 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000287722663 532236902 /nfs/dbraw/zinc/23/69/02/532236902.db2.gz KAVMWLMBOWVSEJ-UHFFFAOYSA-N 1 0 382.511 1.861 20 0 GDADRO O=S(=O)(N[C@H]1CCCC[NH2+]C1)c1cc(Br)cc2c1OCC2 ZINC000333477443 532238398 /nfs/dbraw/zinc/23/83/98/532238398.db2.gz BPGKQPANCNUPJN-LBPRGKRZSA-N 1 0 375.288 1.804 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)s1 ZINC000333521099 532239453 /nfs/dbraw/zinc/23/94/53/532239453.db2.gz GQEREJDOPCOPBK-ZIAGYGMSSA-N 1 0 386.543 1.037 20 0 GDADRO CS[C@H]1CN(C(=O)c2cnc3scc(C)n3c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000275150589 532270386 /nfs/dbraw/zinc/27/03/86/532270386.db2.gz RZXYCZMDWJKJSA-KBPBESRZSA-N 1 0 378.523 1.716 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)C1 ZINC000288186511 532270914 /nfs/dbraw/zinc/27/09/14/532270914.db2.gz QNKFVKNLLJCYKV-JTQLQIEISA-N 1 0 378.420 1.373 20 0 GDADRO C[NH2+][C@H]1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000430639715 532254331 /nfs/dbraw/zinc/25/43/31/532254331.db2.gz ITAPEODPJSQCMJ-YPMHNXCESA-N 1 0 388.921 1.211 20 0 GDADRO CN(CCn1cc(Br)cn1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377343364 532255128 /nfs/dbraw/zinc/25/51/28/532255128.db2.gz NSBVJQMGMFNOPF-KBPBESRZSA-N 1 0 386.294 1.150 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000288167471 532269278 /nfs/dbraw/zinc/26/92/78/532269278.db2.gz WLMWIMPAXZHRLQ-WDEREUQCSA-N 1 0 380.436 1.801 20 0 GDADRO CCOCCS(=O)(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000431902443 532275498 /nfs/dbraw/zinc/27/54/98/532275498.db2.gz LHABTVDWTBCXOF-UHFFFAOYSA-N 1 0 375.579 1.481 20 0 GDADRO CN(C)S(=O)(=O)C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(F)(F)F ZINC000378043729 532280123 /nfs/dbraw/zinc/28/01/23/532280123.db2.gz OGSXHGDDSGEQFU-GXFFZTMASA-N 1 0 391.431 1.137 20 0 GDADRO CC[C@@H]1[C@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000349450314 532285608 /nfs/dbraw/zinc/28/56/08/532285608.db2.gz ABHJKBRPDPADEV-CZUORRHYSA-N 1 0 389.543 1.394 20 0 GDADRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc(S(N)(=O)=O)c1 ZINC000378426838 532286321 /nfs/dbraw/zinc/28/63/21/532286321.db2.gz HPSIAQMBCCCUBB-PBHICJAKSA-N 1 0 385.555 1.193 20 0 GDADRO Cn1ccnc(N2CCC[C@H]([NH2+]Cc3cncc(Br)c3)C2)c1=O ZINC000275483841 532297601 /nfs/dbraw/zinc/29/76/01/532297601.db2.gz INRSCTJKMOKLIO-AWEZNQCLSA-N 1 0 378.274 1.696 20 0 GDADRO COc1cc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc(Cl)c1OCC(N)=O ZINC000391407455 532297675 /nfs/dbraw/zinc/29/76/75/532297675.db2.gz HXZHPWMFOLPSHA-UHFFFAOYSA-N 1 0 378.878 1.126 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000275499510 532298003 /nfs/dbraw/zinc/29/80/03/532298003.db2.gz CYCRRJYKACFSCR-WDEREUQCSA-N 1 0 379.404 1.193 20 0 GDADRO C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000275620227 532302697 /nfs/dbraw/zinc/30/26/97/532302697.db2.gz IIKZGLPBWYYSRX-GFCCVEGCSA-N 1 0 382.404 1.315 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000275676831 532305175 /nfs/dbraw/zinc/30/51/75/532305175.db2.gz VZZBHVHUOHICFM-WDEREUQCSA-N 1 0 381.278 1.182 20 0 GDADRO CC(C)[C@@H](CNC(=O)c1nscc1Br)N1CC[NH+](C)CC1 ZINC000404762999 532306306 /nfs/dbraw/zinc/30/63/06/532306306.db2.gz KDZHLOOCFKFUAP-GFCCVEGCSA-N 1 0 375.336 1.907 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000288837056 532309315 /nfs/dbraw/zinc/30/93/15/532309315.db2.gz LIOOOLLFJCEPBU-AWEZNQCLSA-N 1 0 386.539 1.633 20 0 GDADRO C[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000289214806 532318549 /nfs/dbraw/zinc/31/85/49/532318549.db2.gz SYDQXDHJZDYXOJ-GFCCVEGCSA-N 1 0 394.946 1.896 20 0 GDADRO C[NH+]1CCC(N(CCO)Cc2ncc(I)s2)CC1 ZINC000289210910 532318566 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CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000289571875 532328117 /nfs/dbraw/zinc/32/81/17/532328117.db2.gz PQDOUKKRCCYOIL-GFCCVEGCSA-N 1 0 395.522 1.596 20 0 GDADRO CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000289658418 532330148 /nfs/dbraw/zinc/33/01/48/532330148.db2.gz VXSKQTZXESMZHO-GFCCVEGCSA-N 1 0 380.507 1.628 20 0 GDADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000289802132 532332427 /nfs/dbraw/zinc/33/24/27/532332427.db2.gz ZFIGBQWAJHSKGF-NWDGAFQWSA-N 1 0 391.946 1.623 20 0 GDADRO CO[C@@H](C[NH3+])C(=O)NCCSCCOc1cccc(Br)c1 ZINC000289824598 532332635 /nfs/dbraw/zinc/33/26/35/532332635.db2.gz DCOKYMJDFYMHDV-ZDUSSCGKSA-N 1 0 377.304 1.651 20 0 GDADRO OCc1cn(CCC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)nn1 ZINC000290003991 532335344 /nfs/dbraw/zinc/33/53/44/532335344.db2.gz YLOCWBSLVSTEEI-UHFFFAOYSA-N 1 0 397.273 1.874 20 0 GDADRO C[N@H+](C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000290037106 532335791 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GDADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000032923946 221751815 /nfs/dbraw/zinc/75/18/15/221751815.db2.gz YXXFGHOWXSOLJJ-INIZCTEOSA-N 1 0 391.537 1.830 20 0 GDADRO C[C@@H](ON=C(N)C[N@@H+]1CCCC[C@H]1C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736163217 598831845 /nfs/dbraw/zinc/83/18/45/598831845.db2.gz GXGRZCFAFYIZCV-CHWSQXEVSA-N 1 0 386.460 1.567 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736294991 598834784 /nfs/dbraw/zinc/83/47/84/598834784.db2.gz TYKADFOPWKFOER-AAEUAGOBSA-N 1 0 375.864 1.627 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736294333 598836150 /nfs/dbraw/zinc/83/61/50/598836150.db2.gz RCSFJRLPEMVSPQ-QWRGUYRKSA-N 1 0 382.877 1.377 20 0 GDADRO O=C(CC[N@H+]1CC[C@@H](CO)C1)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000737838921 598903966 /nfs/dbraw/zinc/90/39/66/598903966.db2.gz PAUQGTWXVHVKMP-GFCCVEGCSA-N 1 0 390.513 1.840 20 0 GDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000736772050 598922445 /nfs/dbraw/zinc/92/24/45/598922445.db2.gz VQJGBVLAUJLYBE-KTKRTIGZSA-N 1 0 391.435 1.679 20 0 GDADRO COC(=O)CC[N@H+](CCOc1ccccc1-c1nn[nH]n1)C[C@@H]1CCCO1 ZINC000736912777 598947112 /nfs/dbraw/zinc/94/71/12/598947112.db2.gz HJNOYYYEDKTNQQ-AWEZNQCLSA-N 1 0 375.429 1.290 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000737297736 598954940 /nfs/dbraw/zinc/95/49/40/598954940.db2.gz KPXKAXIGVDEOPR-UHFFFAOYSA-N 1 0 378.502 1.718 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H](n2nc(C)nc2C)C1 ZINC000737032489 598985807 /nfs/dbraw/zinc/98/58/07/598985807.db2.gz LIORMYVHBAZEPJ-INIZCTEOSA-N 1 0 398.471 1.800 20 0 GDADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)[NH+]1CCCC1 ZINC000737140776 599019760 /nfs/dbraw/zinc/01/97/60/599019760.db2.gz FMEFDCRWOQQUSM-QGZVFWFLSA-N 1 0 393.451 1.837 20 0 GDADRO CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C[C@H]1CCC[N@H+](C)C1 ZINC000736858481 599048351 /nfs/dbraw/zinc/04/83/51/599048351.db2.gz SALLGDKWPJVTCW-LBPRGKRZSA-N 1 0 377.880 1.732 20 0 GDADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000738037773 599053022 /nfs/dbraw/zinc/05/30/22/599053022.db2.gz FNMXWFZEYAXUPQ-HXUWFJFHSA-N 1 0 393.451 1.625 20 0 GDADRO C[NH+](C)C1(CNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)Cc2ccccc2C1 ZINC000736757121 599084761 /nfs/dbraw/zinc/08/47/61/599084761.db2.gz PJLYVRYVPYYSHT-UHFFFAOYSA-N 1 0 376.464 1.625 20 0 GDADRO NC(=O)[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737732601 599094291 /nfs/dbraw/zinc/09/42/91/599094291.db2.gz ZXTNBNGOVDANSL-SFHVURJKSA-N 1 0 377.452 1.652 20 0 GDADRO NC(=O)[C@@H]([NH2+]CCCCOCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731370 599096506 /nfs/dbraw/zinc/09/65/06/599096506.db2.gz RGRBBINRUYKMDO-SFHVURJKSA-N 1 0 380.452 1.980 20 0 GDADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736225813 599101697 /nfs/dbraw/zinc/10/16/97/599101697.db2.gz DVJJMZVULVSLHA-JQWIXIFHSA-N 1 0 391.863 1.400 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@H]1CCCN(c3ccccc3)C1)C2 ZINC000738434277 599103295 /nfs/dbraw/zinc/10/32/95/599103295.db2.gz BZKQOZYAXFIVRO-CABCVRRESA-N 1 0 379.472 1.364 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000821586294 599146905 /nfs/dbraw/zinc/14/69/05/599146905.db2.gz RLOMOVIVIZKEIG-MRXNPFEDSA-N 1 0 394.483 1.285 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000737023268 599165020 /nfs/dbraw/zinc/16/50/20/599165020.db2.gz KAQLHLLUTOBBRB-MRXNPFEDSA-N 1 0 390.488 1.737 20 0 GDADRO Fc1cccc(N2CCC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)c1 ZINC000737659466 599179237 /nfs/dbraw/zinc/17/92/37/599179237.db2.gz DHYFZYGXNFFPAY-HIFRSBDPSA-N 1 0 397.462 1.503 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000737288987 599190704 /nfs/dbraw/zinc/19/07/04/599190704.db2.gz NIRMFXMFLKFWBZ-HNNXBMFYSA-N 1 0 387.488 1.596 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000821161466 599214289 /nfs/dbraw/zinc/21/42/89/599214289.db2.gz YHCKTCFCKUCOKN-ZDUSSCGKSA-N 1 0 395.471 1.048 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000737023870 599226820 /nfs/dbraw/zinc/22/68/20/599226820.db2.gz HTQAIAMRLFLTMD-DZGCQCFKSA-N 1 0 386.456 1.339 20 0 GDADRO Cc1c(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cccc1-c1nn[nH]n1 ZINC000822053262 607273128 /nfs/dbraw/zinc/27/31/28/607273128.db2.gz LIAHILPDCJLIRO-CQSZACIVSA-N 1 0 399.499 1.884 20 0 GDADRO Cc1c(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cccc1-c1nn[nH]n1 ZINC000822091434 607281508 /nfs/dbraw/zinc/28/15/08/607281508.db2.gz RCVGWVASUYKRFM-SJORKVTESA-N 1 0 385.472 1.674 20 0 GDADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC000736337557 599282746 /nfs/dbraw/zinc/28/27/46/599282746.db2.gz KNKQXNWXUYHGQA-OAHLLOKOSA-N 1 0 391.451 1.427 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000820702972 607333373 /nfs/dbraw/zinc/33/33/73/607333373.db2.gz BYFJUSPZXSGHHC-VXGBXAGGSA-N 1 0 389.435 1.323 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC000821252714 607343215 /nfs/dbraw/zinc/34/32/15/607343215.db2.gz BIHFCLLXCABJBW-YPMHNXCESA-N 1 0 389.435 1.276 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1-c1nn[nH]n1 ZINC000737190702 598238672 /nfs/dbraw/zinc/23/86/72/598238672.db2.gz ZOOBUNWRIIRBSA-LLVKDONJSA-N 1 0 387.513 1.885 20 0 GDADRO C[N@H+](CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC000736801110 598241589 /nfs/dbraw/zinc/24/15/89/598241589.db2.gz RNLYJMQFIQBGSK-SFHVURJKSA-N 1 0 383.500 1.826 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000737803654 598241961 /nfs/dbraw/zinc/24/19/61/598241961.db2.gz VFDQQDVNEZKWMM-FPLPWBNLSA-N 1 0 382.468 1.641 20 0 GDADRO CNC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736871344 598245711 /nfs/dbraw/zinc/24/57/11/598245711.db2.gz PUTQTXYCHTZSAB-AWEZNQCLSA-N 1 0 391.863 1.449 20 0 GDADRO Cc1csc(=O)n1CC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737457105 598249383 /nfs/dbraw/zinc/24/93/83/598249383.db2.gz OQVZKGKIBHJNAG-UHFFFAOYSA-N 1 0 386.481 1.942 20 0 GDADRO CC(C)C(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000735684980 598250632 /nfs/dbraw/zinc/25/06/32/598250632.db2.gz MYDBTPNAWBCSIE-GFCCVEGCSA-N 1 0 391.501 1.493 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ncc(Cc3ccc(-c4nn[nH]n4)cc3)s2)C1 ZINC000736849638 598254300 /nfs/dbraw/zinc/25/43/00/598254300.db2.gz VDDIVWATKICBGL-ZDUSSCGKSA-N 1 0 398.496 1.987 20 0 GDADRO CCCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736412442 598257038 /nfs/dbraw/zinc/25/70/38/598257038.db2.gz PBRFXNBKBQVFJR-INIZCTEOSA-N 1 0 385.472 1.576 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)NCCSCc1ccccc1-c1nn[nH]n1 ZINC000738077618 598269836 /nfs/dbraw/zinc/26/98/36/598269836.db2.gz HHYXRZWWPGLZAI-UHFFFAOYSA-N 1 0 398.496 1.328 20 0 GDADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738026033 598282894 /nfs/dbraw/zinc/28/28/94/598282894.db2.gz PRQIVAROUWAEOL-UHFFFAOYSA-N 1 0 396.499 1.325 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735986285 598302876 /nfs/dbraw/zinc/30/28/76/598302876.db2.gz QMURVQPOFHAFIN-CYBMUJFWSA-N 1 0 390.467 1.178 20 0 GDADRO CC[N@H+](CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)[C@@H](C)C(C)C ZINC000736555676 598334907 /nfs/dbraw/zinc/33/49/07/598334907.db2.gz QKYVWGUOTGOZCP-AWEZNQCLSA-N 1 0 385.472 1.955 20 0 GDADRO O=C1CN(C[NH+]2CCCCCCC2)C(=O)N1Cc1ccccc1-c1nn[nH]n1 ZINC000738304211 598335911 /nfs/dbraw/zinc/33/59/11/598335911.db2.gz XJQMJQUVYSODJF-UHFFFAOYSA-N 1 0 383.456 1.855 20 0 GDADRO Cc1ccc(N2CCC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)nn1 ZINC000737352799 598341499 /nfs/dbraw/zinc/34/14/99/598341499.db2.gz SBTQATDASPCPHZ-UHFFFAOYSA-N 1 0 380.456 1.556 20 0 GDADRO c1ccc(CN2CC[NH+](CCCCNc3nccnc3-c3nn[nH]n3)CC2)cc1 ZINC000738432060 598346410 /nfs/dbraw/zinc/34/64/10/598346410.db2.gz AFOIQNPSCSUAPM-UHFFFAOYSA-N 1 0 393.499 1.667 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000735560765 598350473 /nfs/dbraw/zinc/35/04/73/598350473.db2.gz GVFNUKASYXWKEL-KBPBESRZSA-N 1 0 381.444 1.197 20 0 GDADRO COCC[N@H+](C)CCNc1cc(C)c(-c2nn[nH]n2)c2nc3ccccc3n21 ZINC000736989775 598394804 /nfs/dbraw/zinc/39/48/04/598394804.db2.gz IISIDDFYBGLZIC-UHFFFAOYSA-N 1 0 380.456 1.966 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000736760999 598398844 /nfs/dbraw/zinc/39/88/44/598398844.db2.gz SJXCPYIWURGHET-AWEZNQCLSA-N 1 0 399.480 1.077 20 0 GDADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736267313 598404332 /nfs/dbraw/zinc/40/43/32/598404332.db2.gz SABGNQZACNALMA-AWEZNQCLSA-N 1 0 399.499 1.223 20 0 GDADRO CCC[N@H+](C)CC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736472830 598408595 /nfs/dbraw/zinc/40/85/95/598408595.db2.gz UCNVUOUZFTZSBJ-UHFFFAOYSA-N 1 0 385.472 1.386 20 0 GDADRO c1nn2cc(C[NH2+]CCCc3nc4c(s3)CCCC4)cnc2c1-c1nn[nH]n1 ZINC000738452625 598424423 /nfs/dbraw/zinc/42/44/23/598424423.db2.gz RMFRKJDWHIMPJP-UHFFFAOYSA-N 1 0 395.496 1.967 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000736769941 598424552 /nfs/dbraw/zinc/42/45/52/598424552.db2.gz XULBTNNCIJOIHN-UHFFFAOYSA-N 1 0 379.468 1.785 20 0 GDADRO CCC[NH+]1CCC(NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736480339 598428728 /nfs/dbraw/zinc/42/87/28/598428728.db2.gz NJYKIAGPVNQHCL-UHFFFAOYSA-N 1 0 398.515 1.573 20 0 GDADRO Cc1csc(=O)n1CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737456764 598431483 /nfs/dbraw/zinc/43/14/83/598431483.db2.gz JILOIATYVDEOJU-UHFFFAOYSA-N 1 0 385.497 1.216 20 0 GDADRO c1ccc(-c2nn[nH]n2)c(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000738423122 598432331 /nfs/dbraw/zinc/43/23/31/598432331.db2.gz NYUMOKRNGASZSY-UHFFFAOYSA-N 1 0 392.463 1.956 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736769408 598433289 /nfs/dbraw/zinc/43/32/89/598433289.db2.gz RQYNWVIISWUWSD-UHFFFAOYSA-N 1 0 380.456 1.535 20 0 GDADRO COc1cc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc(OC)c1OCC(N)=O ZINC000737047987 598465525 /nfs/dbraw/zinc/46/55/25/598465525.db2.gz VUIDXFLGJXDTPO-UHFFFAOYSA-N 1 0 398.423 1.038 20 0 GDADRO O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000737793250 598467884 /nfs/dbraw/zinc/46/78/84/598467884.db2.gz WYQJDCBFLRHIMR-RTBURBONSA-N 1 0 395.511 1.922 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000737287117 598485591 /nfs/dbraw/zinc/48/55/91/598485591.db2.gz BUUVTJSGDKJBKG-HNNXBMFYSA-N 1 0 383.456 1.200 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000737033047 598502822 /nfs/dbraw/zinc/50/28/22/598502822.db2.gz MWFYLXKXTAAJQQ-ZDUSSCGKSA-N 1 0 388.472 1.633 20 0 GDADRO CC[N@H+](C)[C@@H](C(=O)NCCNc1ncccc1-c1nn[nH]n1)c1ccccc1 ZINC000736509551 598506508 /nfs/dbraw/zinc/50/65/08/598506508.db2.gz GMVDDEPKGQSDBR-MRXNPFEDSA-N 1 0 380.456 1.483 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCSCc2ccccc2-c2nn[nH]n2)C1 ZINC000736859264 598514251 /nfs/dbraw/zinc/51/42/51/598514251.db2.gz YEZGZOPXABVUOB-AWEZNQCLSA-N 1 0 389.529 1.741 20 0 GDADRO c1csc([C@@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N2CCCC2)c1 ZINC000738452604 598518298 /nfs/dbraw/zinc/51/82/98/598518298.db2.gz QZWMUCMPLWKTBQ-DZGCQCFKSA-N 1 0 399.528 1.593 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H](CN1CCCC1)c1ccccc1)C2 ZINC000738425144 598520642 /nfs/dbraw/zinc/52/06/42/598520642.db2.gz KSDIMWIGFKJMBF-QAPCUYQASA-N 1 0 393.499 1.532 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CC1(c3ccccc3)CCOCC1)C2 ZINC000738429181 598522431 /nfs/dbraw/zinc/52/24/31/598522431.db2.gz VNXOAYVPXKKLBV-HNNXBMFYSA-N 1 0 394.483 1.443 20 0 GDADRO CCCOCc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736488191 598522949 /nfs/dbraw/zinc/52/29/49/598522949.db2.gz LTLYMFYEWCPABZ-CQSZACIVSA-N 1 0 382.472 1.821 20 0 GDADRO C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)COCc1ccccc1 ZINC000736026098 598524433 /nfs/dbraw/zinc/52/44/33/598524433.db2.gz PZLGTXSLLGEAQQ-GDBMZVCRSA-N 1 0 382.472 1.547 20 0 GDADRO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737113256 598527822 /nfs/dbraw/zinc/52/78/22/598527822.db2.gz AMBHKPLMMRGPOJ-YVEFUNNKSA-N 1 0 380.456 1.781 20 0 GDADRO c1cnn(-c2ccccc2C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000738424561 598528389 /nfs/dbraw/zinc/52/83/89/598528389.db2.gz FPRNRNOQSNABPY-ZDUSSCGKSA-N 1 0 376.428 1.080 20 0 GDADRO c1ccc(OCC[NH+]2CCN(c3nc4ccccn4c3-c3nn[nH]n3)CC2)cc1 ZINC000738434266 598566688 /nfs/dbraw/zinc/56/66/88/598566688.db2.gz BPAAGUQEWPOBRP-UHFFFAOYSA-N 1 0 390.451 1.715 20 0 GDADRO Cc1nc(SCC(=O)N2CCC[C@@H]([NH+](C)C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737484065 598566886 /nfs/dbraw/zinc/56/68/86/598566886.db2.gz RTLUZOSDVCFPSD-CQSZACIVSA-N 1 0 389.529 1.832 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000735999930 598594586 /nfs/dbraw/zinc/59/45/86/598594586.db2.gz DBMLZKZAYPVDLQ-MAUKXSAKSA-N 1 0 383.500 1.826 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738035490 598595599 /nfs/dbraw/zinc/59/55/99/598595599.db2.gz LOTNYXZDAWXAII-KBAYOESNSA-N 1 0 381.484 1.579 20 0 GDADRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1sccc1-c1nn[nH]n1 ZINC000737842431 598618097 /nfs/dbraw/zinc/61/80/97/598618097.db2.gz BQJABQHGWHXMPL-MWLCHTKSSA-N 1 0 390.391 1.644 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000735550969 598619035 /nfs/dbraw/zinc/61/90/35/598619035.db2.gz NZBLRNPPXJPTRM-WCQYABFASA-N 1 0 377.880 1.873 20 0 GDADRO O=C(Cc1cccnc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737975111 598624697 /nfs/dbraw/zinc/62/46/97/598624697.db2.gz TWINIOUSAQYFHN-UHFFFAOYSA-N 1 0 377.452 1.539 20 0 GDADRO CC(C)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+]1CCN(C)CC1 ZINC000735711849 598629994 /nfs/dbraw/zinc/62/99/94/598629994.db2.gz YVSWWGWDBUWWBJ-MRXNPFEDSA-N 1 0 390.467 1.399 20 0 GDADRO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736528563 598633208 /nfs/dbraw/zinc/63/32/08/598633208.db2.gz ACGXGZVWKVQFMZ-UHFFFAOYSA-N 1 0 391.907 1.901 20 0 GDADRO O=C1CN(C[N@@H+]2CCC[C@H]2C2CC2)C(=O)N1Cc1ccccc1-c1nn[nH]n1 ZINC000738302572 598672975 /nfs/dbraw/zinc/67/29/75/598672975.db2.gz LNHYWCHGIJIKKN-INIZCTEOSA-N 1 0 381.440 1.463 20 0 GDADRO Cc1nnc(N2CC[N@H+](C[C@H](O)c3ccccc3)[C@@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000737520080 598673431 /nfs/dbraw/zinc/67/34/31/598673431.db2.gz HOUATYZXXQDXKG-GUYCJALGSA-N 1 0 394.483 1.518 20 0 GDADRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736613386 598680245 /nfs/dbraw/zinc/68/02/45/598680245.db2.gz AQVAQTAANKWIEM-UHFFFAOYSA-N 1 0 390.463 1.761 20 0 GDADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)CCn1cc(Br)cn1 ZINC000736804623 598701740 /nfs/dbraw/zinc/70/17/40/598701740.db2.gz SKNUPNBCEJDVOG-UHFFFAOYSA-N 1 0 392.261 1.837 20 0 GDADRO COc1ccc(OC)c(C[N@H+](CCO)CCOc2ccccc2-c2nn[nH]n2)c1 ZINC000737109877 598705741 /nfs/dbraw/zinc/70/57/41/598705741.db2.gz OQUVJXMQHRNJGL-UHFFFAOYSA-N 1 0 399.451 1.757 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737842469 598775522 /nfs/dbraw/zinc/77/55/22/598775522.db2.gz CBKFSHJICRQEQL-QGZVFWFLSA-N 1 0 397.483 1.672 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736765123 598816067 /nfs/dbraw/zinc/81/60/67/598816067.db2.gz UMIVKHDBHPJODC-UHFFFAOYSA-N 1 0 379.852 1.163 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736131404 599300073 /nfs/dbraw/zinc/30/00/73/599300073.db2.gz JTTWYNQGMLRREL-XEZPLFJOSA-N 1 0 397.483 1.430 20 0 GDADRO C[NH+](C)CCOc1ccc(NC[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736769405 599333179 /nfs/dbraw/zinc/33/31/79/599333179.db2.gz ROHKTTHSCAXLDX-CYBMUJFWSA-N 1 0 383.460 1.157 20 0 GDADRO O=S(=O)(c1cccc(F)c1-c1nn[nH]n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000823607177 599345878 /nfs/dbraw/zinc/34/58/78/599345878.db2.gz RLBBWQCSNILUHY-ZDUSSCGKSA-N 1 0 394.476 1.645 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821253126 599347405 /nfs/dbraw/zinc/34/74/05/599347405.db2.gz CVFKCTMGKQTERR-SMDDNHRTSA-N 1 0 398.920 1.871 20 0 GDADRO COc1ccc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)cc1-c1nn[nH]n1 ZINC000821818000 599401655 /nfs/dbraw/zinc/40/16/55/599401655.db2.gz GZXHZVLNACFDGC-UHFFFAOYSA-N 1 0 381.440 1.397 20 0 GDADRO COc1ccc(C[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)cc1-c1nn[nH]n1 ZINC000821717555 599416379 /nfs/dbraw/zinc/41/63/79/599416379.db2.gz QJPQDIGRQRXXSQ-UHFFFAOYSA-N 1 0 398.423 1.038 20 0 GDADRO C[C@H]1CCC[N@H+](CCCCNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C1 ZINC000820710292 599476883 /nfs/dbraw/zinc/47/68/83/599476883.db2.gz OPTXTPGGIAYNBF-ZDUSSCGKSA-N 1 0 393.517 1.438 20 0 GDADRO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2NCCCC[NH+]1CCOCC1 ZINC000822774310 599481951 /nfs/dbraw/zinc/48/19/51/599481951.db2.gz JTXJIKIIDINIEW-UHFFFAOYSA-N 1 0 389.410 1.639 20 0 GDADRO COCC(=O)Nc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736966409 599482546 /nfs/dbraw/zinc/48/25/46/599482546.db2.gz OSEJUSBJPPNUPG-UHFFFAOYSA-N 1 0 392.423 1.389 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000738422416 599485621 /nfs/dbraw/zinc/48/56/21/599485621.db2.gz YGNMBKCJOUZLGR-UHFFFAOYSA-N 1 0 378.444 1.165 20 0 GDADRO O=C(NCCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccs1 ZINC000738066588 599491733 /nfs/dbraw/zinc/49/17/33/599491733.db2.gz RBYDCVVBFJRLIZ-UHFFFAOYSA-N 1 0 382.453 1.486 20 0 GDADRO CC[NH+]1CCN(CCC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)CC1 ZINC000736569769 599494223 /nfs/dbraw/zinc/49/42/23/599494223.db2.gz SYGRYYUNKVXZMT-UHFFFAOYSA-N 1 0 399.543 1.879 20 0 GDADRO COCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)C[C@@H]1C ZINC000821691490 599534763 /nfs/dbraw/zinc/53/47/63/599534763.db2.gz WHGVBJDVRNBBGN-NSHDSACASA-N 1 0 389.410 1.850 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1-c1nn[nH]n1 ZINC000822312660 599602808 /nfs/dbraw/zinc/60/28/08/599602808.db2.gz HDDQDSODUDLZLP-KCQAQPDRSA-N 1 0 399.499 1.596 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000820656211 599609625 /nfs/dbraw/zinc/60/96/25/599609625.db2.gz DVXMMMWAAGZOOW-ONGXEEELSA-N 1 0 377.836 1.058 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823308454 599613501 /nfs/dbraw/zinc/61/35/01/599613501.db2.gz AXPUARIFVHADAO-AWEZNQCLSA-N 1 0 383.456 1.140 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737287525 599616208 /nfs/dbraw/zinc/61/62/08/599616208.db2.gz DKVQKKSEVUZWPQ-MRXNPFEDSA-N 1 0 397.483 1.591 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821625907 599641778 /nfs/dbraw/zinc/64/17/78/599641778.db2.gz YJYGLNGSHKSTHD-AEFFLSMTSA-N 1 0 383.500 1.778 20 0 GDADRO C[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820359285 599667104 /nfs/dbraw/zinc/66/71/04/599667104.db2.gz RYGGSJVIXCPYKH-AWEZNQCLSA-N 1 0 386.504 1.253 20 0 GDADRO CC(C)[C@@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[NH+]1CCCC1 ZINC000820021436 599673606 /nfs/dbraw/zinc/67/36/06/599673606.db2.gz TYUVETDXXNCDTD-MRXNPFEDSA-N 1 0 375.452 1.925 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000823212381 599677647 /nfs/dbraw/zinc/67/76/47/599677647.db2.gz ZBJOQAFIWRSSNY-KRWDZBQOSA-N 1 0 399.499 1.905 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000737370391 599715446 /nfs/dbraw/zinc/71/54/46/599715446.db2.gz QAXAGHYYLSFLTC-UHFFFAOYSA-N 1 0 377.894 1.152 20 0 GDADRO CC[NH+]1CCC(NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC1 ZINC000737112534 600122896 /nfs/dbraw/zinc/12/28/96/600122896.db2.gz LXZDAJMUOOSTAQ-UHFFFAOYSA-N 1 0 389.500 1.499 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000285213151 600732117 /nfs/dbraw/zinc/73/21/17/600732117.db2.gz WVVZLIPCROXALP-INIZCTEOSA-N 1 0 397.541 1.730 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1c1nccn2cnnc12 ZINC000824984716 607471353 /nfs/dbraw/zinc/47/13/53/607471353.db2.gz MSUKDBCYOQFYTB-CYBMUJFWSA-N 1 0 376.428 1.015 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000826183335 607474083 /nfs/dbraw/zinc/47/40/83/607474083.db2.gz MJOKTCMNMYPCGV-UHFFFAOYSA-N 1 0 399.543 1.866 20 0 GDADRO O[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)C[N@@H+]1CCc2ccccc2C1 ZINC000823681994 607474508 /nfs/dbraw/zinc/47/45/08/607474508.db2.gz LXRMWIDRTMFLER-SFHVURJKSA-N 1 0 382.443 1.515 20 0 GDADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826442903 607480532 /nfs/dbraw/zinc/48/05/32/607480532.db2.gz PBBFHKVDCVBFHY-UHFFFAOYSA-N 1 0 377.452 1.790 20 0 GDADRO O=C(NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1c(F)cccc1F ZINC000823201159 607481291 /nfs/dbraw/zinc/48/12/91/607481291.db2.gz BIRHVLRXLZLWTR-UHFFFAOYSA-N 1 0 376.342 1.804 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823594037 607497160 /nfs/dbraw/zinc/49/71/60/607497160.db2.gz APKCHZLPUZILCJ-WMLDXEAASA-N 1 0 388.497 1.504 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=S)NC[C@H]1CCOC1 ZINC000825866080 607530638 /nfs/dbraw/zinc/53/06/38/607530638.db2.gz QODHKWISNZQIGU-OAHLLOKOSA-N 1 0 389.529 1.141 20 0 GDADRO COC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826150279 607561327 /nfs/dbraw/zinc/56/13/27/607561327.db2.gz ANBOSZLNRPXOFW-QGZVFWFLSA-N 1 0 387.488 1.365 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738622600 602531114 /nfs/dbraw/zinc/53/11/14/602531114.db2.gz FFDLEIRSTSLMQS-NZSAHSFTSA-N 1 0 388.512 1.697 20 0 GDADRO COc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1-c1nn[nH]n1 ZINC000826198234 607576525 /nfs/dbraw/zinc/57/65/25/607576525.db2.gz QVYDQWPEZXRSRJ-OAHLLOKOSA-N 1 0 385.472 1.645 20 0 GDADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000824947649 607588883 /nfs/dbraw/zinc/58/88/83/607588883.db2.gz PNRVPNFHNOIUFJ-NSHDSACASA-N 1 0 384.893 1.530 20 0 GDADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000826488664 607589656 /nfs/dbraw/zinc/58/96/56/607589656.db2.gz VYBYJCHEIVGDGE-OLZOCXBDSA-N 1 0 382.877 1.425 20 0 GDADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000826488663 607589842 /nfs/dbraw/zinc/58/98/42/607589842.db2.gz VYBYJCHEIVGDGE-CHWSQXEVSA-N 1 0 382.877 1.425 20 0 GDADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826488459 607592765 /nfs/dbraw/zinc/59/27/65/607592765.db2.gz QIEBGLNYYQDLQM-UHFFFAOYSA-N 1 0 396.904 1.673 20 0 GDADRO COc1ccc(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1-c1nn[nH]n1 ZINC000826197538 607625787 /nfs/dbraw/zinc/62/57/87/607625787.db2.gz STKHFGRANAFARC-OAHLLOKOSA-N 1 0 387.488 1.891 20 0 GDADRO COc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1-c1nn[nH]n1 ZINC000826197828 607626480 /nfs/dbraw/zinc/62/64/80/607626480.db2.gz DYKWCUPOHODHQX-OAHLLOKOSA-N 1 0 385.472 1.645 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000825220564 607652393 /nfs/dbraw/zinc/65/23/93/607652393.db2.gz UPGPUWYSYKOOQV-OLZOCXBDSA-N 1 0 396.904 1.767 20 0 GDADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000825865827 607664549 /nfs/dbraw/zinc/66/45/49/607664549.db2.gz MSEQKCZYRCPBSL-UHFFFAOYSA-N 1 0 378.502 1.752 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000529384574 649942474 /nfs/dbraw/zinc/94/24/74/649942474.db2.gz YTEBRWWOIIMDPH-GJZGRUSLSA-N 1 0 384.274 1.520 20 0 GDADRO O=C([O-])c1c(N2CC[C@@H]([NH+]3CC=CC3)C2)ncnc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000833293545 604460648 /nfs/dbraw/zinc/46/06/48/604460648.db2.gz BOBWNNXKEPLAFP-IAGOWNOFSA-N 1 0 396.495 1.076 20 0 GDADRO O=C([O-])C[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000833211828 604507290 /nfs/dbraw/zinc/50/72/90/604507290.db2.gz WLMAAVUFUSSZKT-KRWDZBQOSA-N 1 0 375.473 1.242 20 0 GDADRO CS(=O)(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000529513500 649947703 /nfs/dbraw/zinc/94/77/03/649947703.db2.gz RXWCSGRZQSBGQB-HOTGVXAUSA-N 1 0 385.917 1.455 20 0 GDADRO O=C1CC[C@H]([NH+]2CCN(Cc3ncc(Br)cc3F)CC2)CCN1 ZINC000529595694 649949229 /nfs/dbraw/zinc/94/92/29/649949229.db2.gz LRGAYGHYOQPHGP-ZDUSSCGKSA-N 1 0 385.281 1.770 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000833627403 605134990 /nfs/dbraw/zinc/13/49/90/605134990.db2.gz XDMNVYIXOOMLKP-WMZOPIPTSA-N 1 0 376.501 1.350 20 0 GDADRO O=C([O-])CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000833773203 605222646 /nfs/dbraw/zinc/22/26/46/605222646.db2.gz JDPIYICDXKAMSU-PZJWPPBQSA-N 1 0 389.540 1.788 20 0 GDADRO C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)CC(C)(C)CN1CCOCC1 ZINC000825992336 607751464 /nfs/dbraw/zinc/75/14/64/607751464.db2.gz WFXBCWGMOZISKG-UHFFFAOYSA-N 1 0 383.500 1.910 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825855823 607753550 /nfs/dbraw/zinc/75/35/50/607753550.db2.gz JLGSAHFCDMEUFP-OAQYLSRUSA-N 1 0 396.495 1.848 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CN(C(=O)[O-])CC[C@@H]2c2ccccc2)C1 ZINC000833982788 605606992 /nfs/dbraw/zinc/60/69/92/605606992.db2.gz YXVVHBVKEPAHFR-GUDVDZBRSA-N 1 0 388.512 1.700 20 0 GDADRO C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000833833280 605888435 /nfs/dbraw/zinc/88/84/35/605888435.db2.gz XEBOPRHNDJJSNY-QFBILLFUSA-N 1 0 388.512 1.877 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614756 606089061 /nfs/dbraw/zinc/08/90/61/606089061.db2.gz UDJWHWFEOILPMW-RBUKOAKNSA-N 1 0 391.479 1.599 20 0 GDADRO Cc1oc(NC(=O)CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(-c2nn[nH]n2)c1C ZINC000822547605 606097994 /nfs/dbraw/zinc/09/79/94/606097994.db2.gz ABWBQWLITOXFFN-HNNXBMFYSA-N 1 0 387.488 1.679 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000822216103 606119717 /nfs/dbraw/zinc/11/97/17/606119717.db2.gz FFNQYYJHPNZJGO-UHFFFAOYSA-N 1 0 387.488 1.739 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000822609146 606157624 /nfs/dbraw/zinc/15/76/24/606157624.db2.gz KNALUYPBYZBMTO-UHFFFAOYSA-N 1 0 381.444 1.340 20 0 GDADRO CC[N@H+](CCNS(=O)(=O)CCCOC)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821213839 606159621 /nfs/dbraw/zinc/15/96/21/606159621.db2.gz FFIFPYOGQUIWBU-CQSZACIVSA-N 1 0 396.517 1.206 20 0 GDADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000820760980 606168332 /nfs/dbraw/zinc/16/83/32/606168332.db2.gz VBPSFWAMRZKZDN-BBRMVZONSA-N 1 0 395.471 1.632 20 0 GDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819922589 606189047 /nfs/dbraw/zinc/18/90/47/606189047.db2.gz MQPPKJHIFZLGIU-UHFFFAOYSA-N 1 0 399.499 1.223 20 0 GDADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820261723 606219236 /nfs/dbraw/zinc/21/92/36/606219236.db2.gz PBFKYOUOICOWKB-CQSZACIVSA-N 1 0 384.513 1.624 20 0 GDADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)c1ccccc1O2 ZINC000821623167 606252615 /nfs/dbraw/zinc/25/26/15/606252615.db2.gz FGHLDXAIMZAQLA-MRXNPFEDSA-N 1 0 393.451 1.913 20 0 GDADRO C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C2(CCCCC2)C1 ZINC000821625484 606290786 /nfs/dbraw/zinc/29/07/86/606290786.db2.gz OXUIBITZDHSORU-UHFFFAOYSA-N 1 0 397.483 1.073 20 0 GDADRO O=C1[C@H](N2CCC[C@H]([NH+]3CCCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503332 606324108 /nfs/dbraw/zinc/32/41/08/606324108.db2.gz CZYRLZAFHQQDFO-DZGCQCFKSA-N 1 0 387.513 1.594 20 0 GDADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000821650575 606331212 /nfs/dbraw/zinc/33/12/12/606331212.db2.gz UUFUDZQJVVKRFQ-YJBOKZPZSA-N 1 0 384.484 1.889 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821268384 606331764 /nfs/dbraw/zinc/33/17/64/606331764.db2.gz VUMNRXVOMJSTAE-GXTWGEPZSA-N 1 0 375.502 1.450 20 0 GDADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000823343581 606350125 /nfs/dbraw/zinc/35/01/25/606350125.db2.gz AAOKBODPOKRDFP-LBPRGKRZSA-N 1 0 389.435 1.628 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000821582966 606380655 /nfs/dbraw/zinc/38/06/55/606380655.db2.gz DJDZJPICOHHRKC-UHFFFAOYSA-N 1 0 392.895 1.668 20 0 GDADRO C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820367417 606383192 /nfs/dbraw/zinc/38/31/92/606383192.db2.gz RXYWXXUUDAKWQL-AWEZNQCLSA-N 1 0 386.504 1.253 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000821001158 606391478 /nfs/dbraw/zinc/39/14/78/606391478.db2.gz PFOQQOONYRGCBR-HUUCEWRRSA-N 1 0 399.503 1.332 20 0 GDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820699362 606399691 /nfs/dbraw/zinc/39/96/91/606399691.db2.gz ZECDBVJXULNEOI-RYUDHWBXSA-N 1 0 389.435 1.323 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)C(C)(C)C ZINC000821584370 606401274 /nfs/dbraw/zinc/40/12/74/606401274.db2.gz AFNXPDUJARUKKF-CQSZACIVSA-N 1 0 391.451 1.427 20 0 GDADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC000822694152 606411299 /nfs/dbraw/zinc/41/12/99/606411299.db2.gz XFEHEMMAMBCVFI-CYBMUJFWSA-N 1 0 387.391 1.592 20 0 GDADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC000822694153 606411559 /nfs/dbraw/zinc/41/15/59/606411559.db2.gz XFEHEMMAMBCVFI-ZDUSSCGKSA-N 1 0 387.391 1.592 20 0 GDADRO O=C(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N1CCN(c2ccccn2)CC1 ZINC000822968877 606415185 /nfs/dbraw/zinc/41/51/85/606415185.db2.gz DEUWTOLJQZTMHX-UHFFFAOYSA-N 1 0 398.496 1.152 20 0 GDADRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2=O)cc1 ZINC000821794917 606420382 /nfs/dbraw/zinc/42/03/82/606420382.db2.gz PYCVCOOGLADBHV-HNNXBMFYSA-N 1 0 384.465 1.828 20 0 GDADRO C[C@@](CO)([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000820280308 606426650 /nfs/dbraw/zinc/42/66/50/606426650.db2.gz DEOGGKAONZKLCS-SFHVURJKSA-N 1 0 393.513 1.561 20 0 GDADRO CC[NH+](CC)[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)CC(C)C ZINC000821182756 606446717 /nfs/dbraw/zinc/44/67/17/606446717.db2.gz YQCRYEBKJKIMPX-CYBMUJFWSA-N 1 0 395.533 1.683 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000821575731 606461969 /nfs/dbraw/zinc/46/19/69/606461969.db2.gz NHKHVHRZGYDGHF-LBPRGKRZSA-N 1 0 378.868 1.270 20 0 GDADRO C[NH+]1CCN(C[C@H](NC(=O)c2cc(-c3nn[nH]n3)cs2)c2ccccc2)CC1 ZINC000821627263 606505810 /nfs/dbraw/zinc/50/58/10/606505810.db2.gz UNAKHOJKTHPOIP-INIZCTEOSA-N 1 0 397.508 1.647 20 0 GDADRO O=C1NC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)CCN12 ZINC000823540372 606523734 /nfs/dbraw/zinc/52/37/34/606523734.db2.gz BPHOQSZDSMJDEG-MRXNPFEDSA-N 1 0 375.436 1.743 20 0 GDADRO CN1CC[NH+](CC2CCN(C(=O)c3cc(-c4nn[nH]n4)cs3)CC2)CC1 ZINC000821627136 606539016 /nfs/dbraw/zinc/53/90/16/606539016.db2.gz OULBEEWEXZPGKS-UHFFFAOYSA-N 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ILNJDDPFMCSVSE-ZFWWWQNUSA-N 1 0 383.500 1.865 20 0 GDADRO Cc1c(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cccc1-c1nn[nH]n1 ZINC000826241655 608339168 /nfs/dbraw/zinc/33/91/68/608339168.db2.gz KQLHOHIWDLJBKS-CYBMUJFWSA-N 1 0 387.488 1.732 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000826169354 608359646 /nfs/dbraw/zinc/35/96/46/608359646.db2.gz PVOSFQUXFAIUOB-OAHLLOKOSA-N 1 0 380.456 1.793 20 0 GDADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)CC1 ZINC000824304584 608363487 /nfs/dbraw/zinc/36/34/87/608363487.db2.gz BTVJNIVVOSHXHX-UHFFFAOYSA-N 1 0 391.863 1.448 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000824563137 608425606 /nfs/dbraw/zinc/42/56/06/608425606.db2.gz LWENWCOGENTIEY-CYBMUJFWSA-N 1 0 394.435 1.605 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826187687 608428202 /nfs/dbraw/zinc/42/82/02/608428202.db2.gz BMUJOAYZSJEVQO-GFCCVEGCSA-N 1 0 384.415 1.981 20 0 GDADRO O=S(=O)(CC[NH2+][C@H](CCO)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484739 608433066 /nfs/dbraw/zinc/43/30/66/608433066.db2.gz NUSUGDBVEPVMST-QGZVFWFLSA-N 1 0 387.465 1.354 20 0 GDADRO Cc1nccn1CCCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826330895 608448551 /nfs/dbraw/zinc/44/85/51/608448551.db2.gz MNRKKNVRAOKNOV-UHFFFAOYSA-N 1 0 380.500 1.970 20 0 GDADRO C[C@@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000824626160 608450308 /nfs/dbraw/zinc/45/03/08/608450308.db2.gz MVEKQVPDFZOTGG-CYBMUJFWSA-N 1 0 393.451 1.770 20 0 GDADRO CC(C)(C)Oc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)n1 ZINC000824124244 608450794 /nfs/dbraw/zinc/45/07/94/608450794.db2.gz RJQYUSMNQUVGOR-GFCCVEGCSA-N 1 0 383.460 1.467 20 0 GDADRO COCCN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)OC(C)(C)C ZINC000826158674 608451063 /nfs/dbraw/zinc/45/10/63/608451063.db2.gz YLNCWVKUGKEEOD-UHFFFAOYSA-N 1 0 382.490 1.901 20 0 GDADRO COCCN(CC[NH2+]Cc1cc(-c2nn[nH]n2)cs1)C(=O)OC(C)(C)C ZINC000826158718 608451084 /nfs/dbraw/zinc/45/10/84/608451084.db2.gz ZSPMFSGFRUOLQA-UHFFFAOYSA-N 1 0 382.490 1.901 20 0 GDADRO NC(=O)[C@H]1CCCN1C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826390214 608453918 /nfs/dbraw/zinc/45/39/18/608453918.db2.gz TVMMPBNYZZSJAK-GOSISDBHSA-N 1 0 399.499 1.050 20 0 GDADRO O[C@H](COC1CCOCC1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826503893 608466844 /nfs/dbraw/zinc/46/68/44/608466844.db2.gz IYWMPVCSQNQYRL-SFHVURJKSA-N 1 0 385.468 1.512 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824412986 608480051 /nfs/dbraw/zinc/48/00/51/608480051.db2.gz ICBSLMPVWCMIKK-OAHLLOKOSA-N 1 0 382.468 1.451 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554006 608487763 /nfs/dbraw/zinc/48/77/63/608487763.db2.gz LOYYHSFYSZHHBY-LLVKDONJSA-N 1 0 385.453 1.605 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1sccc1C(N)=O ZINC000824532844 608487765 /nfs/dbraw/zinc/48/77/65/608487765.db2.gz XEBZWDYJOZAQQB-VHSXEESVSA-N 1 0 385.453 1.705 20 0 GDADRO CNC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826051848 608491442 /nfs/dbraw/zinc/49/14/42/608491442.db2.gz OGCAYUPHCQFVLV-UGSOOPFHSA-N 1 0 393.451 1.121 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)CCC1=O ZINC000824865706 608545590 /nfs/dbraw/zinc/54/55/90/608545590.db2.gz JBDNHEAGTCZXBT-RHSMWYFYSA-N 1 0 384.484 1.762 20 0 GDADRO O=C(C[NH2+]C1(c2ccc3c(c2)OCO3)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826412147 608555616 /nfs/dbraw/zinc/55/56/16/608555616.db2.gz CXKZCPBPHVCDIY-UHFFFAOYSA-N 1 0 378.392 1.813 20 0 GDADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000826029813 608564065 /nfs/dbraw/zinc/56/40/65/608564065.db2.gz XJOQCIKXKCSHOB-UHFFFAOYSA-N 1 0 396.904 1.769 20 0 GDADRO C[S@@](=O)C[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826225030 608580109 /nfs/dbraw/zinc/58/01/09/608580109.db2.gz RIWBCHLCTVGVDG-YMGMXPECSA-N 1 0 398.492 1.905 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cccc(OC(C)(C)C)n1 ZINC000825935278 608582885 /nfs/dbraw/zinc/58/28/85/608582885.db2.gz YTFVLJYWIYRFRT-UHFFFAOYSA-N 1 0 385.476 1.809 20 0 GDADRO CN(C)c1ncc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC000825883966 608584671 /nfs/dbraw/zinc/58/46/71/608584671.db2.gz SEPYVOQHSXHBCS-UHFFFAOYSA-N 1 0 379.472 1.435 20 0 GDADRO C[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@@H](O)COCc1ccccc1 ZINC000825991731 608630573 /nfs/dbraw/zinc/63/05/73/608630573.db2.gz IVNUIWLHJJPYLA-GOSISDBHSA-N 1 0 393.451 1.524 20 0 GDADRO CN1CCN(C(=O)CC2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)CC1 ZINC000826033532 608683177 /nfs/dbraw/zinc/68/31/77/608683177.db2.gz GGIATSOGNYSWFY-UHFFFAOYSA-N 1 0 389.529 1.304 20 0 GDADRO C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824893769 608761692 /nfs/dbraw/zinc/76/16/92/608761692.db2.gz UMYZTEYLSSVUJV-MAUKXSAKSA-N 1 0 399.499 1.652 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825849758 608846188 /nfs/dbraw/zinc/84/61/88/608846188.db2.gz MNXVHDNSUCONMU-DJIMGWMZSA-N 1 0 382.472 1.198 20 0 GDADRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593228 609139617 /nfs/dbraw/zinc/13/96/17/609139617.db2.gz POKDHLQSVFRCDM-CXAGYDPISA-N 1 0 389.479 1.599 20 0 GDADRO O=C1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476144 609169623 /nfs/dbraw/zinc/16/96/23/609169623.db2.gz BNESFLOQMJZDSA-KBAYOESNSA-N 1 0 381.484 1.579 20 0 GDADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000825668987 609187905 /nfs/dbraw/zinc/18/79/05/609187905.db2.gz NSPGFRNDYHSYKI-UHFFFAOYSA-N 1 0 387.465 1.959 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825865584 609203851 /nfs/dbraw/zinc/20/38/51/609203851.db2.gz GWYRXTIESKOVFI-UHFFFAOYSA-N 1 0 375.383 1.677 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824270728 609255759 /nfs/dbraw/zinc/25/57/59/609255759.db2.gz FLIPCINWHYWPBA-CQSZACIVSA-N 1 0 392.529 1.968 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cc(C)cc(C)c2)c1-c1nn[nH]n1 ZINC000826077732 609267733 /nfs/dbraw/zinc/26/77/33/609267733.db2.gz SHQXFPBLSNKIDQ-UHFFFAOYSA-N 1 0 382.472 1.930 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc2n[nH]nc21 ZINC000825865981 609268779 /nfs/dbraw/zinc/26/87/79/609268779.db2.gz OEGUGFJJBVUTSI-UHFFFAOYSA-N 1 0 391.439 1.342 20 0 GDADRO Cn1cc(C[NH2+]CCCOC[C@H]2CCCO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361750 609335867 /nfs/dbraw/zinc/33/58/67/609335867.db2.gz NBFBDUSKXDWHLM-GOSISDBHSA-N 1 0 397.483 1.943 20 0 GDADRO COc1cccc([C@H]2[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[N@@H+]2C2CC2)c1 ZINC000826215695 609336927 /nfs/dbraw/zinc/33/69/27/609336927.db2.gz WJWYLEKJUIHETR-WMZOPIPTSA-N 1 0 393.451 1.911 20 0 GDADRO Cn1cc(C[NH2+]CCOC[C@H]2CCCO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361997 609340516 /nfs/dbraw/zinc/34/05/16/609340516.db2.gz ZAGIKAGCBLDVKJ-QGZVFWFLSA-N 1 0 383.456 1.552 20 0 GDADRO CN(C)[C@@]1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCSC1 ZINC000825851685 609341251 /nfs/dbraw/zinc/34/12/51/609341251.db2.gz XFWUEWIYJUKSJY-LJQANCHMSA-N 1 0 398.540 1.794 20 0 GDADRO COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826129433 609359145 /nfs/dbraw/zinc/35/91/45/609359145.db2.gz RWRZOOSCESUPBL-QGZVFWFLSA-N 1 0 399.451 1.946 20 0 GDADRO C[NH+]1CCC(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC1 ZINC000826021956 609363421 /nfs/dbraw/zinc/36/34/21/609363421.db2.gz GLZSHZCMSQVVHB-UHFFFAOYSA-N 1 0 399.434 1.655 20 0 GDADRO C[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H]1CCCC[C@H]1O ZINC000825892109 609375854 /nfs/dbraw/zinc/37/58/54/609375854.db2.gz GEKQLAQXEJAHAA-XHDPSFHLSA-N 1 0 378.864 1.942 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477219 609417444 /nfs/dbraw/zinc/41/74/44/609417444.db2.gz XWBRARPAWDDZMK-MLHJIOFPSA-N 1 0 394.479 1.909 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000530840782 649981877 /nfs/dbraw/zinc/98/18/77/649981877.db2.gz FHYZCVQQPBNPAP-HNNXBMFYSA-N 1 0 388.921 1.230 20 0 GDADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826490675 609539275 /nfs/dbraw/zinc/53/92/75/609539275.db2.gz CWXAMENQSDXDRL-UHFFFAOYSA-N 1 0 384.893 1.674 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824978426 609549762 /nfs/dbraw/zinc/54/97/62/609549762.db2.gz VUZVRJKROHANQG-ZWNOBZJWSA-N 1 0 384.893 1.481 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000826494334 609550788 /nfs/dbraw/zinc/55/07/88/609550788.db2.gz YBRLXTSSDXGICW-GFCCVEGCSA-N 1 0 396.904 1.627 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)C(C)(C)C[NH+](C)C ZINC000824641221 609554971 /nfs/dbraw/zinc/55/49/71/609554971.db2.gz TXMAWSGBMKBORS-JTQLQIEISA-N 1 0 386.909 1.775 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1O ZINC000826202584 609600256 /nfs/dbraw/zinc/60/02/56/609600256.db2.gz FFVJFSBMQWMJIN-MRXNPFEDSA-N 1 0 394.435 1.866 20 0 GDADRO O=C1[C@H]([NH2+]Cc2cnn3ccccc23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476918 609600752 /nfs/dbraw/zinc/60/07/52/609600752.db2.gz RUYXMFQKILFKAN-QGZVFWFLSA-N 1 0 388.435 1.800 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)N2CCCN(Cc3cscn3)CC2)CCSC1 ZINC000530895177 649983743 /nfs/dbraw/zinc/98/37/43/649983743.db2.gz OCDPGVHURNKSMV-KRWDZBQOSA-N 1 0 383.587 1.798 20 0 GDADRO CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[NH+](C)C ZINC000531679796 649994613 /nfs/dbraw/zinc/99/46/13/649994613.db2.gz PBZQDSDETOTUDN-NSHDSACASA-N 1 0 379.935 1.575 20 0 GDADRO O=S(=O)(NCC[NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1cccs1 ZINC000532618066 650028432 /nfs/dbraw/zinc/02/84/32/650028432.db2.gz QUJVHXVCTJRSSH-UHFFFAOYSA-N 1 0 381.458 1.536 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000532740914 650031506 /nfs/dbraw/zinc/03/15/06/650031506.db2.gz OHXSHKOLGRYQLE-CABCVRRESA-N 1 0 388.921 1.276 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000532728163 650031530 /nfs/dbraw/zinc/03/15/30/650031530.db2.gz YNBDJWOYLNOCTK-CYBMUJFWSA-N 1 0 390.303 1.531 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CCCOc2ccc(Cl)cc2)[C@H](N2CCOCC2)C1 ZINC000533382729 650050158 /nfs/dbraw/zinc/05/01/58/650050158.db2.gz CAHHWXTXSOZTMD-DLBZAZTESA-N 1 0 388.917 1.196 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535141110 650242908 /nfs/dbraw/zinc/24/29/08/650242908.db2.gz DYYFNEAFTGOSPE-JKSUJKDBSA-N 1 0 391.603 1.238 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000536425386 650271083 /nfs/dbraw/zinc/27/10/83/650271083.db2.gz UVLZJICTKLJSCC-UHFFFAOYSA-N 1 0 377.819 1.902 20 0 GDADRO C[NH+](C)CCOCCNC(=O)Cc1cccc(I)c1 ZINC000539749158 650339341 /nfs/dbraw/zinc/33/93/41/650339341.db2.gz QUQAIDIXKVJLAM-UHFFFAOYSA-N 1 0 376.238 1.528 20 0 GDADRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000540170679 650350946 /nfs/dbraw/zinc/35/09/46/650350946.db2.gz JOLCHKPOXHAFJJ-LBPRGKRZSA-N 1 0 375.516 1.133 20 0 GDADRO COCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000540259141 650353723 /nfs/dbraw/zinc/35/37/23/650353723.db2.gz SHEVGTQNUMLVLW-GJZGRUSLSA-N 1 0 377.551 1.198 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000540599693 650364605 /nfs/dbraw/zinc/36/46/05/650364605.db2.gz OGOKODZVSWPXHE-SNVBAGLBSA-N 1 0 378.878 1.126 20 0 GDADRO O=c1n2ccccc2nn1CC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000541051141 650377240 /nfs/dbraw/zinc/37/72/40/650377240.db2.gz FGUNWGVJVGLPEK-CQSZACIVSA-N 1 0 377.242 1.582 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000542457990 650405256 /nfs/dbraw/zinc/40/52/56/650405256.db2.gz XNMWQMUMORPNML-UHFFFAOYSA-N 1 0 393.303 1.161 20 0 GDADRO CC(C)([NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000542574296 650407706 /nfs/dbraw/zinc/40/77/06/650407706.db2.gz MORZOHBQXFJCRE-UHFFFAOYSA-N 1 0 381.523 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O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000563782159 650740016 /nfs/dbraw/zinc/74/00/16/650740016.db2.gz OUCMYCFFQHPITH-QWHCGFSZSA-N 1 0 396.285 1.297 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])cc1Cl ZINC000563957703 650744878 /nfs/dbraw/zinc/74/48/78/650744878.db2.gz MUURQJHEPHUQBQ-MNOVXSKESA-N 1 0 378.878 1.484 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)NCCC[N@@H+](C)CCN(C)C ZINC000564097658 650748851 /nfs/dbraw/zinc/74/88/51/650748851.db2.gz PXUFWGJAUOPCQP-UHFFFAOYSA-N 1 0 392.363 1.919 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3cc(F)cc(Br)c3F)CCN2C1=O ZINC000564471122 650759137 /nfs/dbraw/zinc/75/91/37/650759137.db2.gz NECPRLFKFWTDDD-SCZZXKLOSA-N 1 0 389.200 1.503 20 0 GDADRO Cc1ncc(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(Cl)c1Cl ZINC000564450786 650758398 /nfs/dbraw/zinc/75/83/98/650758398.db2.gz ZNLMJKCJCREIKY-LBPRGKRZSA-N 1 0 385.295 1.981 20 0 GDADRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000564727637 650765652 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CC[NH2+]CCCNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000564947299 650774262 /nfs/dbraw/zinc/77/42/62/650774262.db2.gz JBWQOYJHTOCSRW-GFCCVEGCSA-N 1 0 391.331 1.975 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000564825296 650768828 /nfs/dbraw/zinc/76/88/28/650768828.db2.gz YSFZSNCKXSBFQC-NSHDSACASA-N 1 0 386.265 1.744 20 0 GDADRO C[C@H]([NH3+])CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000564989324 650775389 /nfs/dbraw/zinc/77/53/89/650775389.db2.gz IGDKWXUDDMMNJR-JTQLQIEISA-N 1 0 396.738 1.756 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000564994701 650776157 /nfs/dbraw/zinc/77/61/57/650776157.db2.gz ATXIVNGQJPTNFZ-SMDDNHRTSA-N 1 0 387.299 1.433 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000565156844 650782461 /nfs/dbraw/zinc/78/24/61/650782461.db2.gz MQSOUFRMYCGCEV-CMPLNLGQSA-N 1 0 390.303 1.066 20 0 GDADRO Cc1ccc(C(=O)CCC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000565035390 650777489 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COC(=O)c1ccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)s1 ZINC000565861199 650818280 /nfs/dbraw/zinc/81/82/80/650818280.db2.gz IKBNCYYVOJKMSS-UHFFFAOYSA-N 1 0 378.541 1.640 20 0 GDADRO CN1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1=O ZINC000566117283 650827973 /nfs/dbraw/zinc/82/79/73/650827973.db2.gz MXKPNBURACKNCX-PWSUYJOCSA-N 1 0 377.666 1.663 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(F)F ZINC000566213932 650835332 /nfs/dbraw/zinc/83/53/32/650835332.db2.gz JRXLJQXNHMCJMM-TZMCWYRMSA-N 1 0 375.441 1.186 20 0 GDADRO CC(C)(COc1ncccc1Br)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000566403098 650844257 /nfs/dbraw/zinc/84/42/57/650844257.db2.gz IHZYJVDBUPKGJW-AWEZNQCLSA-N 1 0 397.317 1.508 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CC[C@@H](OC)C1 ZINC000566556412 650854975 /nfs/dbraw/zinc/85/49/75/650854975.db2.gz NLTQLIYCPHJYSL-LSDHHAIUSA-N 1 0 389.539 1.801 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N(C)C2CC([NH3+])C2)cc1Br ZINC000566561506 650855826 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GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3ccc(Br)c(Cl)c3)CCN2C1=O ZINC000567180976 650891337 /nfs/dbraw/zinc/89/13/37/650891337.db2.gz ZYRFBBLUKFTJFT-SKDRFNHKSA-N 1 0 387.665 1.878 20 0 GDADRO CN1CCN(C(=O)CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000567228161 650893920 /nfs/dbraw/zinc/89/39/20/650893920.db2.gz IYODCSCCUIIWDY-ZDUSSCGKSA-N 1 0 390.311 1.487 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000567258860 650895970 /nfs/dbraw/zinc/89/59/70/650895970.db2.gz VVPYVSJFBBEVFQ-CQSZACIVSA-N 1 0 380.286 1.760 20 0 GDADRO C[N@H+](C[C@@H](O)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O)C1CC1 ZINC000567530855 650910173 /nfs/dbraw/zinc/91/01/73/650910173.db2.gz NYAXURSKPBEKJX-SJKOYZFVSA-N 1 0 396.285 1.671 20 0 GDADRO CCc1nc(C(=O)NC[C@H]2C[NH2+]CCO2)nn1-c1c(Cl)cccc1Cl ZINC000567657082 650912661 /nfs/dbraw/zinc/91/26/61/650912661.db2.gz OHVMXNSWZDWBSN-SNVBAGLBSA-N 1 0 384.267 1.855 20 0 GDADRO CC(C)[C@@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(C)CC1 ZINC000046946057 644369645 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C[C@H](CCC[NH3+])NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000567914116 650929302 /nfs/dbraw/zinc/92/93/02/650929302.db2.gz ZEWXVXIRZBPEJU-SNVBAGLBSA-N 1 0 382.258 1.679 20 0 GDADRO COCCNc1nn(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c(=S)s1 ZINC000069796440 644582613 /nfs/dbraw/zinc/58/26/13/644582613.db2.gz NGZOUMMARVXAIR-AWEZNQCLSA-N 1 0 387.575 1.734 20 0 GDADRO CS(=O)(=O)N1CC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000568036707 650934354 /nfs/dbraw/zinc/93/43/54/650934354.db2.gz QZGACXDLORJRQB-CQSZACIVSA-N 1 0 387.299 1.848 20 0 GDADRO COc1ccc(Br)c(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000568057296 650935740 /nfs/dbraw/zinc/93/57/40/650935740.db2.gz AJAUXVPRMYCHSQ-CQSZACIVSA-N 1 0 397.317 1.647 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)[C@H](C)C1 ZINC000115591835 644643566 /nfs/dbraw/zinc/64/35/66/644643566.db2.gz NNCRWTWHYFILCI-OCCSQVGLSA-N 1 0 392.953 1.797 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1Br ZINC000568237214 650942342 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Cc1c(Cl)cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1Cl ZINC000568283345 650950542 /nfs/dbraw/zinc/95/05/42/650950542.db2.gz LBDIOJSPEDYRQK-GWCFXTLKSA-N 1 0 385.251 1.011 20 0 GDADRO O=S(=O)(Cc1cccc(Cl)c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000568279858 650950586 /nfs/dbraw/zinc/95/05/86/650950586.db2.gz RJYYBTDRVPTHJQ-CYBMUJFWSA-N 1 0 385.839 1.596 20 0 GDADRO C[C@H](C(=O)NC1CC1)N1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000152715546 644790304 /nfs/dbraw/zinc/79/03/04/644790304.db2.gz MUBYCEODNRFIHU-DYVFJYSZSA-N 1 0 396.329 1.767 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C[C@H](C)[NH2+]1 ZINC000154004349 644801048 /nfs/dbraw/zinc/80/10/48/644801048.db2.gz CZFAAQDNXFLLBF-STQMWFEESA-N 1 0 385.917 1.947 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c(Br)o1 ZINC000156266798 644819143 /nfs/dbraw/zinc/81/91/43/644819143.db2.gz VRMVKOMFUVRYJE-HTQZYQBOSA-N 1 0 381.248 1.200 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000166023920 644865487 /nfs/dbraw/zinc/86/54/87/644865487.db2.gz YBZSWGKZDLZDDD-CYBMUJFWSA-N 1 0 380.388 1.569 20 0 GDADRO COC(=O)CC[N@H+](Cn1cc(I)cn1)C1CCOCC1 ZINC000173534788 644892488 /nfs/dbraw/zinc/89/24/88/644892488.db2.gz BOAQCFSAHROFRH-UHFFFAOYSA-N 1 0 393.225 1.489 20 0 GDADRO Brc1nc(Br)n(CN2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000175234836 644904293 /nfs/dbraw/zinc/90/42/93/644904293.db2.gz SYUMWCLNZQGWLM-SECBINFHSA-N 1 0 379.100 1.931 20 0 GDADRO Cn1ncc2c1CCC[C@@H]2[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000178109999 644922307 /nfs/dbraw/zinc/92/23/07/644922307.db2.gz LXWUGOFJEIVWOK-ZDUSSCGKSA-N 1 0 380.436 1.949 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NCC[C@H](C)[NH3+])c1 ZINC000178912848 644928239 /nfs/dbraw/zinc/92/82/39/644928239.db2.gz JXNGPIZFNLTUHM-VIFPVBQESA-N 1 0 379.276 1.641 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000186206325 644992011 /nfs/dbraw/zinc/99/20/11/644992011.db2.gz CJMYRJLBGZJMRT-SECBINFHSA-N 1 0 395.275 1.591 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NNc2ccc(Br)cc2)n1 ZINC000187388579 644999789 /nfs/dbraw/zinc/99/97/89/644999789.db2.gz LUQKCIAHNYSWMK-UHFFFAOYSA-N 1 0 395.261 1.289 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc(F)c1F ZINC000189129415 645011803 /nfs/dbraw/zinc/01/18/03/645011803.db2.gz KJNNEQVHFOZRAI-NSHDSACASA-N 1 0 376.425 1.904 20 0 GDADRO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cccc(I)c1 ZINC000193448026 645051480 /nfs/dbraw/zinc/05/14/80/645051480.db2.gz XQGIAZQXHRFRCK-BXKDBHETSA-N 1 0 380.251 1.710 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC[NH2+]CCOC ZINC000216060188 645071889 /nfs/dbraw/zinc/07/18/89/645071889.db2.gz DOPVJQSUVGNNTI-UHFFFAOYSA-N 1 0 381.292 1.362 20 0 GDADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000232742710 645078991 /nfs/dbraw/zinc/07/89/91/645078991.db2.gz YCEQIPSDFNPVLE-LBPRGKRZSA-N 1 0 384.274 1.615 20 0 GDADRO CN1CC[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000237093579 645082313 /nfs/dbraw/zinc/08/23/13/645082313.db2.gz QNZGRWCZQVYORD-ZNMIVQPWSA-N 1 0 391.896 1.103 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000237201996 645084335 /nfs/dbraw/zinc/08/43/35/645084335.db2.gz MYJUUXLFJRWWLZ-SNVBAGLBSA-N 1 0 391.287 1.514 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc2ncc(I)n2c1 ZINC000237810881 645088067 /nfs/dbraw/zinc/08/80/67/645088067.db2.gz ZJIDYQHWMCBJQY-NSHDSACASA-N 1 0 384.221 1.811 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ncn(C)c2Cl)[C@@H](C)C1 ZINC000247105840 645097302 /nfs/dbraw/zinc/09/73/02/645097302.db2.gz FNDOKZAFCMXZBU-STQMWFEESA-N 1 0 378.926 1.489 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC1CCN(CC(N)=O)CC1 ZINC000248381871 645099946 /nfs/dbraw/zinc/09/99/46/645099946.db2.gz VGRBYDQRZAWDPJ-NSHDSACASA-N 1 0 384.274 1.282 20 0 GDADRO C[NH2+][C@@H](C)CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000261703110 645115504 /nfs/dbraw/zinc/11/55/04/645115504.db2.gz UFZYDAJHJUFSMY-AWEZNQCLSA-N 1 0 389.543 1.138 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1C[NH3+] 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/nfs/dbraw/zinc/31/84/57/645318457.db2.gz IZDUQEQLDJRZHZ-UHFFFAOYSA-N 1 0 386.587 1.885 20 0 GDADRO C[C@@H]1CCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000569449385 651000457 /nfs/dbraw/zinc/00/04/57/651000457.db2.gz LGRHXSRCRGGNIV-CABCVRRESA-N 1 0 388.555 1.736 20 0 GDADRO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(c2cncc(Br)c2)C1 ZINC000329736367 645326600 /nfs/dbraw/zinc/32/66/00/645326600.db2.gz SNSZTQBPISGAGU-GFCCVEGCSA-N 1 0 379.262 1.633 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC[NH2+]CC)c(OC)c1 ZINC000569575148 651004731 /nfs/dbraw/zinc/00/47/31/651004731.db2.gz XIXIFNIBQYVGSO-UHFFFAOYSA-N 1 0 393.531 1.125 20 0 GDADRO COC(=O)C1CCN(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000330560949 645374926 /nfs/dbraw/zinc/37/49/26/645374926.db2.gz BUCYEYMGVXYZLI-AWEZNQCLSA-N 1 0 375.535 1.216 20 0 GDADRO CC(C)(C)c1nnc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000330613725 645383883 /nfs/dbraw/zinc/38/38/83/645383883.db2.gz SGYRBGPOSQKFFW-QWRGUYRKSA-N 1 0 389.547 1.224 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)Nc1c(F)cccc1F ZINC000330619158 645384750 /nfs/dbraw/zinc/38/47/50/645384750.db2.gz YZWNFPWWMCBADH-ZLKJLUDKSA-N 1 0 375.441 1.742 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1(c2ccccc2Br)CC1 ZINC000569600214 651006180 /nfs/dbraw/zinc/00/61/80/651006180.db2.gz AZPOLUJRUSHAIU-AWEZNQCLSA-N 1 0 380.286 1.465 20 0 GDADRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC1 ZINC000330643797 645390868 /nfs/dbraw/zinc/39/08/68/645390868.db2.gz JUYONFZMXRHVBI-UHFFFAOYSA-N 1 0 394.946 1.599 20 0 GDADRO COC(=O)C1CCN(S(=O)(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000331001281 645450418 /nfs/dbraw/zinc/45/04/18/645450418.db2.gz QKIDWWRZYHAEFI-QLFBSQMISA-N 1 0 375.535 1.072 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)CCn2cc(Br)ccc2=O)CCSC1 ZINC000331082072 645462340 /nfs/dbraw/zinc/46/23/40/645462340.db2.gz AUJOJVJEJYILIY-HNNXBMFYSA-N 1 0 388.331 1.554 20 0 GDADRO CC(C)[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000331136154 645469158 /nfs/dbraw/zinc/46/91/58/645469158.db2.gz KQVYPVHTPXXARD-MRXNPFEDSA-N 1 0 387.933 1.807 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000331288888 645492498 /nfs/dbraw/zinc/49/24/98/645492498.db2.gz NUVSCLUWSLURRD-ZDUSSCGKSA-N 1 0 392.319 1.215 20 0 GDADRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000570038073 651023431 /nfs/dbraw/zinc/02/34/31/651023431.db2.gz SCUBAUVRUHWOFO-LSDHHAIUSA-N 1 0 399.285 1.848 20 0 GDADRO Cc1nc2ccc(S(=O)(=O)N(C)CCCN3CC[NH+](C)CC3)cc2s1 ZINC000331462198 645514838 /nfs/dbraw/zinc/51/48/38/645514838.db2.gz FNKUKVPVNXUFPR-UHFFFAOYSA-N 1 0 382.555 1.863 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000570043773 651023688 /nfs/dbraw/zinc/02/36/88/651023688.db2.gz YPNQAIUQIYZMGE-VXGBXAGGSA-N 1 0 375.441 1.267 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)ccc1Br ZINC000331807397 645535562 /nfs/dbraw/zinc/53/55/62/645535562.db2.gz LQWRRHMOIDCDEE-GXFFZTMASA-N 1 0 375.288 1.830 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000331903869 645539882 /nfs/dbraw/zinc/53/98/82/645539882.db2.gz ZCPVMQXPJHDRPG-ABAIWWIYSA-N 1 0 386.279 1.714 20 0 GDADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333782186 645542787 /nfs/dbraw/zinc/54/27/87/645542787.db2.gz DVYCNLQRUOTDTL-INIZCTEOSA-N 1 0 380.242 1.748 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000366456915 645588138 /nfs/dbraw/zinc/58/81/38/645588138.db2.gz AOXVAXQIEIGBSQ-VIKVFOODSA-N 1 0 383.901 1.462 20 0 GDADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000368183008 645610409 /nfs/dbraw/zinc/61/04/09/645610409.db2.gz ZRIDLILUVKPGOL-SGMGOOAPSA-N 1 0 384.249 1.618 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000368255890 645614502 /nfs/dbraw/zinc/61/45/02/645614502.db2.gz XCZAPLMMESHYSU-HZUKXOBISA-N 1 0 385.917 1.790 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000368565534 645619273 /nfs/dbraw/zinc/61/92/73/645619273.db2.gz AWSGIDOHPFDOCN-ZIAGYGMSSA-N 1 0 386.543 1.261 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000368945499 645633836 /nfs/dbraw/zinc/63/38/36/645633836.db2.gz LKIQIDBPSKFAOJ-AWEZNQCLSA-N 1 0 381.274 1.398 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000370176597 645670141 /nfs/dbraw/zinc/67/01/41/645670141.db2.gz XLBGWSDDSXEONL-ZYHUDNBSSA-N 1 0 375.288 1.830 20 0 GDADRO O=C(CSc1ccccc1Cl)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371027372 645723055 /nfs/dbraw/zinc/72/30/55/645723055.db2.gz HRGUWZAFQXWORP-HNNXBMFYSA-N 1 0 383.945 1.955 20 0 GDADRO CC[NH2+]CCCNC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000570382845 651038350 /nfs/dbraw/zinc/03/83/50/651038350.db2.gz MATHTLVBXZRDRB-UHFFFAOYSA-N 1 0 381.420 1.908 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000371290354 645732902 /nfs/dbraw/zinc/73/29/02/645732902.db2.gz UFSPRSSZHBBRNE-UHFFFAOYSA-N 1 0 380.491 1.690 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/nfs/dbraw/zinc/82/12/14/645821214.db2.gz FTPSEDZYYCLTBS-GJZGRUSLSA-N 1 0 376.519 1.425 20 0 GDADRO COc1ccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c(I)c1 ZINC000415422408 645894214 /nfs/dbraw/zinc/89/42/14/645894214.db2.gz WPNSFCMPDOTMOD-MRVPVSSYSA-N 1 0 391.209 1.044 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415510082 645895162 /nfs/dbraw/zinc/89/51/62/645895162.db2.gz JEFAOTPTDVAMRP-JTQLQIEISA-N 1 0 384.267 1.888 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415513392 645895709 /nfs/dbraw/zinc/89/57/09/645895709.db2.gz XIERZIXOTLUDSB-ZETCQYMHSA-N 1 0 395.628 1.594 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)Nc1cc(Br)ccc1Br ZINC000415537825 645897868 /nfs/dbraw/zinc/89/78/68/645897868.db2.gz QEOMWLQQDXFPJG-UHFFFAOYSA-N 1 0 391.063 1.486 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1Br ZINC000415538314 645897927 /nfs/dbraw/zinc/89/79/27/645897927.db2.gz JGNKPVIVVUSLLK-CQSZACIVSA-N 1 0 383.290 1.303 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000417682650 645905957 /nfs/dbraw/zinc/90/59/57/645905957.db2.gz LTYFUAIKNHODPA-JTQLQIEISA-N 1 0 392.319 1.648 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCc1ccc(Br)cc1F ZINC000417676521 645906063 /nfs/dbraw/zinc/90/60/63/645906063.db2.gz FMHGMZRRHKSIMT-CQSZACIVSA-N 1 0 387.297 1.724 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCc2ccc(Br)cc2)C1 ZINC000417689277 645906117 /nfs/dbraw/zinc/90/61/17/645906117.db2.gz FZJQPPSQUTWMKV-CQSZACIVSA-N 1 0 397.317 1.488 20 0 GDADRO COCC[NH2+]CCNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417724002 645906527 /nfs/dbraw/zinc/90/65/27/645906527.db2.gz HTCCSWCMZVDFQO-UHFFFAOYSA-N 1 0 397.277 1.269 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)NCC1(c2ccccc2Br)CC1 ZINC000417736636 645907163 /nfs/dbraw/zinc/90/71/63/645907163.db2.gz VDNZOHTZJNNBQK-UHFFFAOYSA-N 1 0 381.318 1.685 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]1 ZINC000418089806 645908004 /nfs/dbraw/zinc/90/80/04/645908004.db2.gz MTELERKZHPANFY-ZLDLUXBVSA-N 1 0 395.301 1.994 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000418095499 645908873 /nfs/dbraw/zinc/90/88/73/645908873.db2.gz WAKVJENELFYIEY-HNNXBMFYSA-N 1 0 394.273 1.504 20 0 GDADRO C[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000418095025 645908941 /nfs/dbraw/zinc/90/89/41/645908941.db2.gz VLYJJUTZPRLKFS-JTQLQIEISA-N 1 0 379.404 1.612 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc1I ZINC000570800291 651056206 /nfs/dbraw/zinc/05/62/06/651056206.db2.gz JYQXSIODHGKQCG-LBPRGKRZSA-N 1 0 382.267 1.861 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1Br ZINC000419172129 645912501 /nfs/dbraw/zinc/91/25/01/645912501.db2.gz YPYCAJFIDHUUTL-OLZOCXBDSA-N 1 0 382.302 1.878 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419180266 645914086 /nfs/dbraw/zinc/91/40/86/645914086.db2.gz AJIYRUNHBACZLR-UONOGXRCSA-N 1 0 380.286 1.176 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000419401902 645916131 /nfs/dbraw/zinc/91/61/31/645916131.db2.gz AULJJSUPRPWZEA-NSHDSACASA-N 1 0 384.274 1.358 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000419461810 645919292 /nfs/dbraw/zinc/91/92/92/645919292.db2.gz IMNVFODMCSSABR-GHMZBOCLSA-N 1 0 380.436 1.801 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419462019 645919306 /nfs/dbraw/zinc/91/93/06/645919306.db2.gz MGOZMJLPTKRLMV-GFCCVEGCSA-N 1 0 380.286 1.547 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000419463637 645919783 /nfs/dbraw/zinc/91/97/83/645919783.db2.gz PHYIRNWMONJVKG-STQMWFEESA-N 1 0 394.313 1.841 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000419485579 645920193 /nfs/dbraw/zinc/92/01/93/645920193.db2.gz ZBRSAUFGKSSWSC-RULNRJAQSA-N 1 0 386.265 1.441 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000419608934 645924891 /nfs/dbraw/zinc/92/48/91/645924891.db2.gz IQOJFQWPJDFVTN-OLZOCXBDSA-N 1 0 398.301 1.401 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])Oc1cccc(Br)c1 ZINC000419607960 645924960 /nfs/dbraw/zinc/92/49/60/645924960.db2.gz HMBNMKCYTYNMFS-WCQYABFASA-N 1 0 384.274 1.282 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cccc(Br)c3)C[C@H]21 ZINC000419641919 645925514 /nfs/dbraw/zinc/92/55/14/645925514.db2.gz LRZJOECKPDWFPH-BPLDGKMQSA-N 1 0 380.286 1.651 20 0 GDADRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419743780 645929639 /nfs/dbraw/zinc/92/96/39/645929639.db2.gz HJTVXJSKAXBXIX-HZMBPMFUSA-N 1 0 377.304 1.737 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419744979 645930188 /nfs/dbraw/zinc/93/01/88/645930188.db2.gz JMKSDSJECGVDPO-XHDPSFHLSA-N 1 0 382.302 1.740 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000419768677 645931342 /nfs/dbraw/zinc/93/13/42/645931342.db2.gz BOOMQTUGECJDBM-NSHDSACASA-N 1 0 386.290 1.703 20 0 GDADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@H]2CC[NH2+]C2)ccc1Br ZINC000419872686 645932475 /nfs/dbraw/zinc/93/24/75/645932475.db2.gz FHMOPOYWJOFBAE-DZGCQCFKSA-N 1 0 380.286 1.899 20 0 GDADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419874873 645933130 /nfs/dbraw/zinc/93/31/30/645933130.db2.gz GUSHKTFIUZJVFU-CYBMUJFWSA-N 1 0 386.265 1.803 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N(CCOC)Cc1ccc(Br)s1 ZINC000420150208 645935995 /nfs/dbraw/zinc/93/59/95/645935995.db2.gz WQHWFQOXEXLDAY-JTQLQIEISA-N 1 0 392.319 1.210 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420188662 645938085 /nfs/dbraw/zinc/93/80/85/645938085.db2.gz FSGIUFVHAHAQLX-GXFFZTMASA-N 1 0 386.265 1.790 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1OC ZINC000420478490 645944653 /nfs/dbraw/zinc/94/46/53/645944653.db2.gz LOBFGVPSZANBGJ-GHMZBOCLSA-N 1 0 389.905 1.314 20 0 GDADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000570904220 651059515 /nfs/dbraw/zinc/05/95/15/651059515.db2.gz SXFJSPUTNHBSDY-CQSZACIVSA-N 1 0 388.559 1.494 20 0 GDADRO C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000420942963 645975433 /nfs/dbraw/zinc/97/54/33/645975433.db2.gz PJODAWFCHQEZAC-OLZOCXBDSA-N 1 0 398.301 1.454 20 0 GDADRO CNC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000420983078 645977927 /nfs/dbraw/zinc/97/79/27/645977927.db2.gz YXVKSBOYQDXOAP-ZYHUDNBSSA-N 1 0 391.693 1.910 20 0 GDADRO NC(=O)[C@H]([NH2+]C[C@@H]1CC[C@@H](C(N)=O)CC1)c1ccc(Br)cc1F ZINC000421198068 645991515 /nfs/dbraw/zinc/99/15/15/645991515.db2.gz ILISJFCXMUZABR-GPCCPHFNSA-N 1 0 386.265 1.996 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000421303778 646003546 /nfs/dbraw/zinc/00/35/46/646003546.db2.gz SKBPHNMFAFMQDT-AWEZNQCLSA-N 1 0 380.286 1.891 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000422073117 646035989 /nfs/dbraw/zinc/03/59/89/646035989.db2.gz TVCCINSMCVQZEX-HOTGVXAUSA-N 1 0 394.313 1.851 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCCC2(O)CCC2)cc1Br ZINC000422092742 646037772 /nfs/dbraw/zinc/03/77/72/646037772.db2.gz XVLDEFIZWYEODC-UHFFFAOYSA-N 1 0 377.304 1.881 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422099632 646038929 /nfs/dbraw/zinc/03/89/29/646038929.db2.gz KSMZPXFZZZFYHF-OAHLLOKOSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000422269439 646053291 /nfs/dbraw/zinc/05/32/91/646053291.db2.gz MEOOFYPEUOXMJV-DOMZBBRYSA-N 1 0 397.317 1.964 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2cccc(Br)c2)CC[N@@H+]1C ZINC000422311911 646059377 /nfs/dbraw/zinc/05/93/77/646059377.db2.gz AFTILJWKOCGHLH-SWLSCSKDSA-N 1 0 382.302 1.707 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NCC1(n2cc(Br)cn2)CC1 ZINC000916842587 660202557 /nfs/dbraw/zinc/20/25/57/660202557.db2.gz OJMRYLCOPQGKRJ-UONOGXRCSA-N 1 0 398.305 1.297 20 0 GDADRO COC[C@]1(C(=O)N(C)CC(=O)Nc2ccccc2Br)CC[NH2+]C1 ZINC000422929045 646100476 /nfs/dbraw/zinc/10/04/76/646100476.db2.gz OAJQYILBNZWMFL-INIZCTEOSA-N 1 0 384.274 1.472 20 0 GDADRO CC(C)[C@H](C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H](C)[NH3+] ZINC000422953045 646102732 /nfs/dbraw/zinc/10/27/32/646102732.db2.gz DUSZJNGXZKEUJT-DOMZBBRYSA-N 1 0 389.543 1.005 20 0 GDADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000422949257 646102760 /nfs/dbraw/zinc/10/27/60/646102760.db2.gz UPDOMZJIZUWDHN-OCCSQVGLSA-N 1 0 387.274 1.850 20 0 GDADRO O=C(NCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)c1cccc(Br)c1 ZINC000422954442 646103409 /nfs/dbraw/zinc/10/34/09/646103409.db2.gz ISTRCZSGSIPRHF-CVEARBPZSA-N 1 0 382.302 1.536 20 0 GDADRO O=C(N[C@@H]1CCc2c1cccc2Br)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422965905 646103779 /nfs/dbraw/zinc/10/37/79/646103779.db2.gz QBTZXPPUMOWFIM-OAHLLOKOSA-N 1 0 392.297 1.907 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@]2(COC)CC[NH2+]C2)s1 ZINC000422961506 646103881 /nfs/dbraw/zinc/10/38/81/646103881.db2.gz ZAEBAPYGJOYLOA-INIZCTEOSA-N 1 0 389.543 1.021 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422968775 646104530 /nfs/dbraw/zinc/10/45/30/646104530.db2.gz XPTIVCFNLMYXNE-UHFFFAOYSA-N 1 0 386.283 1.271 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000422993020 646106198 /nfs/dbraw/zinc/10/61/98/646106198.db2.gz DWAQEHMYQVJPDY-CWRNSKLLSA-N 1 0 394.313 1.993 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000423008098 646108817 /nfs/dbraw/zinc/10/88/17/646108817.db2.gz ZJMHFRPURUNYDD-IUODEOHRSA-N 1 0 398.301 1.482 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000916919837 660203296 /nfs/dbraw/zinc/20/32/96/660203296.db2.gz JSMWVDVIEPTLLT-UHFFFAOYSA-N 1 0 375.878 1.678 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)COC1CC[NH2+]CC1 ZINC000423122156 646114939 /nfs/dbraw/zinc/11/49/39/646114939.db2.gz JHTUSGUVZJYBFN-UHFFFAOYSA-N 1 0 398.301 1.971 20 0 GDADRO [NH3+]CCCCn1cc(C(=O)N2CCc3c(Br)cccc3C2)nn1 ZINC000423122888 646115195 /nfs/dbraw/zinc/11/51/95/646115195.db2.gz LKZPKXVIKNMDSN-UHFFFAOYSA-N 1 0 378.274 1.978 20 0 GDADRO COC[C@]1(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)CC[NH2+]C1 ZINC000423134115 646116482 /nfs/dbraw/zinc/11/64/82/646116482.db2.gz WNDYDBKJPQLNIU-KRWDZBQOSA-N 1 0 398.301 1.828 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000423177836 646118057 /nfs/dbraw/zinc/11/80/57/646118057.db2.gz JSBPEXBAIQNQJQ-GJZGRUSLSA-N 1 0 396.285 1.299 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000423189267 646118649 /nfs/dbraw/zinc/11/86/49/646118649.db2.gz QWADFPRSJXHIFM-CABZTGNLSA-N 1 0 375.288 1.936 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000423186775 646118689 /nfs/dbraw/zinc/11/86/89/646118689.db2.gz XGTKTFFFQOLCLZ-OAHLLOKOSA-N 1 0 396.285 1.299 20 0 GDADRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 ZINC000423188165 646118755 /nfs/dbraw/zinc/11/87/55/646118755.db2.gz LKDUJSQKKQGTHK-AAEUAGOBSA-N 1 0 385.452 1.189 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000423233456 646120091 /nfs/dbraw/zinc/12/00/91/646120091.db2.gz OJFMKZMZKMYABL-QWHCGFSZSA-N 1 0 394.313 1.920 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C[C@H](C)[NH2+]1 ZINC000423240225 646121311 /nfs/dbraw/zinc/12/13/11/646121311.db2.gz XEERNWXXVVHYAZ-RYUDHWBXSA-N 1 0 380.286 1.543 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2Cl)CC[NH2+]1 ZINC000423450556 646125163 /nfs/dbraw/zinc/12/51/63/646125163.db2.gz FAPXWAJMCZVVEJ-SNVBAGLBSA-N 1 0 388.693 1.881 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000423517983 646126724 /nfs/dbraw/zinc/12/67/24/646126724.db2.gz UVKNFMQBGGTKBZ-ZDUSSCGKSA-N 1 0 394.313 1.962 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1 ZINC000916662171 660198273 /nfs/dbraw/zinc/19/82/73/660198273.db2.gz NDZROHFFXSQCRC-LSDHHAIUSA-N 1 0 386.539 1.443 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423520533 646127397 /nfs/dbraw/zinc/12/73/97/646127397.db2.gz WLTINUORFHNYDF-UHFFFAOYSA-N 1 0 386.265 1.757 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423540209 646129023 /nfs/dbraw/zinc/12/90/23/646129023.db2.gz QBSLODNNZDWJBJ-AAEUAGOBSA-N 1 0 386.279 1.923 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423568227 646130794 /nfs/dbraw/zinc/13/07/94/646130794.db2.gz WRSDNLSEFOLQIC-SGTLLEGYSA-N 1 0 394.313 1.920 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)CC2 ZINC000423568236 646130929 /nfs/dbraw/zinc/13/09/29/646130929.db2.gz WTVHIDUBQPJHME-GOSISDBHSA-N 1 0 394.313 1.840 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)s2)C[C@H]1[NH3+] ZINC000423576055 646132079 /nfs/dbraw/zinc/13/20/79/646132079.db2.gz XHEVMKVIOFQTDI-GMTAPVOTSA-N 1 0 386.315 1.980 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cc(C)cc3C2)C1 ZINC000423573773 646132120 /nfs/dbraw/zinc/13/21/20/646132120.db2.gz RUYKIZYQSKRJLM-ZDUSSCGKSA-N 1 0 394.313 1.710 20 0 GDADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000423605663 646136394 /nfs/dbraw/zinc/13/63/94/646136394.db2.gz HEXYEYZJPWNZGP-HNNXBMFYSA-N 1 0 396.285 1.171 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000423604058 646136548 /nfs/dbraw/zinc/13/65/48/646136548.db2.gz UTLXFSDMRUGUPD-ZDUSSCGKSA-N 1 0 382.302 1.866 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000423623487 646137747 /nfs/dbraw/zinc/13/77/47/646137747.db2.gz ADHZKODDZPXMGW-JQWIXIFHSA-N 1 0 386.265 1.742 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423624251 646138554 /nfs/dbraw/zinc/13/85/54/646138554.db2.gz PKFOCMMHNWJQIG-LBPRGKRZSA-N 1 0 386.265 1.886 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000423672097 646141946 /nfs/dbraw/zinc/14/19/46/646141946.db2.gz NTMBDDNPYTWCLL-JQWIXIFHSA-N 1 0 385.536 1.850 20 0 GDADRO C[C@@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000423947012 646145661 /nfs/dbraw/zinc/14/56/61/646145661.db2.gz CXPTUIBACVNXSF-TVQRCGJNSA-N 1 0 396.285 1.923 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000423949407 646145810 /nfs/dbraw/zinc/14/58/10/646145810.db2.gz MDOSWNVKKHMOMT-AWEZNQCLSA-N 1 0 387.571 1.955 20 0 GDADRO CN(C(=O)CN1c2ccc(Br)cc2OCC1=O)[C@@H](C[NH3+])C1CC1 ZINC000423964636 646147590 /nfs/dbraw/zinc/14/75/90/646147590.db2.gz XEOWIGGBWPSKKM-ZDUSSCGKSA-N 1 0 382.258 1.370 20 0 GDADRO CN(C(=O)CN1c2ccc(Br)cc2OCC1=O)[C@H](C[NH3+])C1CC1 ZINC000423964633 646147669 /nfs/dbraw/zinc/14/76/69/646147669.db2.gz XEOWIGGBWPSKKM-CYBMUJFWSA-N 1 0 382.258 1.370 20 0 GDADRO C[C@@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C[C@@]1(C)C[NH3+] ZINC000423980276 646148765 /nfs/dbraw/zinc/14/87/65/646148765.db2.gz DFCWJYKSBMNTDG-PIGZYNQJSA-N 1 0 393.285 1.602 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)NC[C@H]3C[NH2+]CCO3)CC2=O)ccc1Br ZINC000423993106 646150604 /nfs/dbraw/zinc/15/06/04/646150604.db2.gz PXFALTAAANQXMP-GXTWGEPZSA-N 1 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/nfs/dbraw/zinc/15/60/33/646156033.db2.gz LABKNYDENSDNCO-UHFFFAOYSA-N 1 0 377.304 1.608 20 0 GDADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424222552 646165994 /nfs/dbraw/zinc/16/59/94/646165994.db2.gz FGNKTXBGNBEQJS-KNXALSJPSA-N 1 0 393.285 1.903 20 0 GDADRO C[NH+](C)C1(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)CCC1 ZINC000438515915 646223893 /nfs/dbraw/zinc/22/38/93/646223893.db2.gz PXGJNVQMIDBPBG-UHFFFAOYSA-N 1 0 393.285 1.760 20 0 GDADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439430612 646230973 /nfs/dbraw/zinc/23/09/73/646230973.db2.gz MNMXTFZYHWJIIX-CFVMTHIKSA-N 1 0 389.265 1.962 20 0 GDADRO CNC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439441912 646232335 /nfs/dbraw/zinc/23/23/35/646232335.db2.gz QPHXBFHEZLOCMV-ZWNOBZJWSA-N 1 0 377.254 1.642 20 0 GDADRO CNC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439446623 646233606 /nfs/dbraw/zinc/23/36/06/646233606.db2.gz DQRHWSZGQBRUOL-OLZOCXBDSA-N 1 0 390.253 1.331 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc1Cl ZINC000917527281 660214996 /nfs/dbraw/zinc/21/49/96/660214996.db2.gz FBGKMFDGSIRSKW-UHFFFAOYSA-N 1 0 376.906 1.862 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cs1 ZINC000917535260 660215278 /nfs/dbraw/zinc/21/52/78/660215278.db2.gz BLYLNBGXFFTQOP-UHFFFAOYSA-N 1 0 376.500 1.048 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000917529463 660215279 /nfs/dbraw/zinc/21/52/79/660215279.db2.gz YXHXWBSNFAWFSL-UHFFFAOYSA-N 1 0 392.934 1.563 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000917544976 660215513 /nfs/dbraw/zinc/21/55/13/660215513.db2.gz OCOSPSKENMJODY-UHFFFAOYSA-N 1 0 382.313 1.902 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)Cc3ccc(F)cc3Cl)C2)CC1 ZINC000917891956 660223876 /nfs/dbraw/zinc/22/38/76/660223876.db2.gz UTKXCOAYRTXCDV-UHFFFAOYSA-N 1 0 375.897 1.488 20 0 GDADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000900481683 659112889 /nfs/dbraw/zinc/11/28/89/659112889.db2.gz CKTGVINNNJICPK-WMLDXEAASA-N 1 0 398.301 1.140 20 0 GDADRO C[C@H]1CC[N@H+](CCOc2ccc(NS(=O)(=O)N=S(C)(C)=O)cc2)C1 ZINC000903092418 659294480 /nfs/dbraw/zinc/29/44/80/659294480.db2.gz AXYLZXHUMRNKBZ-ZDUSSCGKSA-N 1 0 375.516 1.792 20 0 GDADRO [NH3+]CC1CCN(S(=O)(=O)c2ccc(I)s2)CC1 ZINC000903479843 659316718 /nfs/dbraw/zinc/31/67/18/659316718.db2.gz IILCWKSOWMGIDG-UHFFFAOYSA-N 1 0 386.280 1.712 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(I)s2)CC[NH2+]1 ZINC000903494177 659318590 /nfs/dbraw/zinc/31/85/90/659318590.db2.gz CLFUMHUIMPDXNN-SFYZADRCSA-N 1 0 386.280 1.772 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@](C)(C[NH3+])C(C)C)s1 ZINC000903493761 659318620 /nfs/dbraw/zinc/31/86/20/659318620.db2.gz UXMMXXAGIMXLIH-LBPRGKRZSA-N 1 0 399.332 1.949 20 0 GDADRO Cn1cc(C(=O)NCC2(C)CC[NH+](C)CC2)c(I)n1 ZINC000907261176 659712217 /nfs/dbraw/zinc/71/22/17/659712217.db2.gz PVBHKFQKUUZNDQ-UHFFFAOYSA-N 1 0 376.242 1.486 20 0 GDADRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(S(C)(=O)=O)c(F)c3)C[C@@]2(C)C1 ZINC000918360746 660234594 /nfs/dbraw/zinc/23/45/94/660234594.db2.gz UUAMHWIVBDRDKP-HZPDHXFCSA-N 1 0 390.502 1.192 20 0 GDADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)s1 ZINC000918948343 660243680 /nfs/dbraw/zinc/24/36/80/660243680.db2.gz ZYPJKMFKIWNLLR-ZDUSSCGKSA-N 1 0 397.360 1.896 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000443015625 647170514 /nfs/dbraw/zinc/17/05/14/647170514.db2.gz SXTZLFZPTOKIGE-UHFFFAOYSA-N 1 0 375.516 1.671 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000443360114 647204019 /nfs/dbraw/zinc/20/40/19/647204019.db2.gz VPEULFZMVAMZJG-UHFFFAOYSA-N 1 0 389.543 1.966 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)nc1F)C2 ZINC000920274034 660268434 /nfs/dbraw/zinc/26/84/34/660268434.db2.gz LXFOOHHCRKQVMS-MMYVAXCBSA-N 1 0 391.896 1.632 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C(F)F)o1)C2 ZINC000920274176 660268455 /nfs/dbraw/zinc/26/84/55/660268455.db2.gz MQAVAYJRAZHPNC-MMYVAXCBSA-N 1 0 378.441 1.975 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CC[C@H]1CC1(Cl)Cl)C2 ZINC000920276602 660268825 /nfs/dbraw/zinc/26/88/25/660268825.db2.gz XSQPFBLWCRODLV-QRTUWBSPSA-N 1 0 399.384 1.969 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)Cc3csc(C)n3)C2)[C@@H]1C(C)C ZINC000920301742 660269230 /nfs/dbraw/zinc/26/92/30/660269230.db2.gz FVPPNFNBVBCDLT-WCXIOVBPSA-N 1 0 387.571 1.741 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3c[nH]nc3Cl)C2)[C@H]1C(C)C ZINC000920303993 660269729 /nfs/dbraw/zinc/26/97/29/660269729.db2.gz VTWGISPZPJZAAK-NLRBGTRBSA-N 1 0 376.910 1.211 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)CC3CC(F)(F)C3)C2)[C@@H]1C(C)C ZINC000920303926 660269750 /nfs/dbraw/zinc/26/97/50/660269750.db2.gz UHRMUBGOHBMDOT-LVQVYYBASA-N 1 0 380.501 1.821 20 0 GDADRO C[NH+](C)CCCNC(=S)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000920313148 660270212 /nfs/dbraw/zinc/27/02/12/660270212.db2.gz COEBAGSQAHURMQ-ZDUSSCGKSA-N 1 0 379.448 1.861 20 0 GDADRO NC(=O)C1CC[NH+](CCCCNC(=O)C(=O)Nc2ccsc2Cl)CC1 ZINC000445548604 647269345 /nfs/dbraw/zinc/26/93/45/647269345.db2.gz KGRLXAONRSWKCA-UHFFFAOYSA-N 1 0 386.905 1.434 20 0 GDADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc[nH]c(=O)c1Br ZINC000446046815 647278021 /nfs/dbraw/zinc/27/80/21/647278021.db2.gz OKSVKXWVSGWUES-UHFFFAOYSA-N 1 0 385.306 1.648 20 0 GDADRO C[C@H](CNC(=O)CCNS(=O)(=O)c1ccccc1Cl)[NH+]1CCCCC1 ZINC000920459774 660271881 /nfs/dbraw/zinc/27/18/81/660271881.db2.gz XCRRMAACCUKJOQ-CQSZACIVSA-N 1 0 387.933 1.999 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000452091821 647314198 /nfs/dbraw/zinc/31/41/98/647314198.db2.gz WIRAMHFLDHEFMC-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)cc1C ZINC000452092566 647314312 /nfs/dbraw/zinc/31/43/12/647314312.db2.gz VFDCTFOCSDVRGX-UHFFFAOYSA-N 1 0 389.543 1.056 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000452380659 647321571 /nfs/dbraw/zinc/32/15/71/647321571.db2.gz TWWJRMJJNYZMMV-OAHLLOKOSA-N 1 0 399.285 1.812 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000453806523 647338079 /nfs/dbraw/zinc/33/80/79/647338079.db2.gz NUVPZQNNNHWOHU-NSHDSACASA-N 1 0 375.803 1.520 20 0 GDADRO CN(CCNC(=O)NCCCC[N@H+](C)C1CC1)S(=O)(=O)c1cccs1 ZINC000454687649 647360335 /nfs/dbraw/zinc/36/03/35/647360335.db2.gz GARPSZINDABBGF-UHFFFAOYSA-N 1 0 388.559 1.542 20 0 GDADRO Cn1cc(Br)cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1=O ZINC000454911822 647364131 /nfs/dbraw/zinc/36/41/31/647364131.db2.gz JQDFSIDRZJHKRM-LBPRGKRZSA-N 1 0 387.278 1.116 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(I)cn2)C1 ZINC000455550922 647382907 /nfs/dbraw/zinc/38/29/07/647382907.db2.gz IHFSSABELHDTKS-LLVKDONJSA-N 1 0 375.210 1.137 20 0 GDADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000921087523 660281588 /nfs/dbraw/zinc/28/15/88/660281588.db2.gz GLVYKKIJMUGPCV-HNNXBMFYSA-N 1 0 388.559 1.068 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NC/C=C\c2ccc(Br)cc2)CC1=O ZINC000456093144 647394033 /nfs/dbraw/zinc/39/40/33/647394033.db2.gz HYDVCISMWQHAIC-ABCZVMIZSA-N 1 0 394.313 1.989 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1nn(C)cc1I ZINC000456498524 647402985 /nfs/dbraw/zinc/40/29/85/647402985.db2.gz ATBTWOYOGSASKV-GFCCVEGCSA-N 1 0 376.242 1.515 20 0 GDADRO CN(CC(=O)NCC[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Br)o1 ZINC000458177779 647436545 /nfs/dbraw/zinc/43/65/45/647436545.db2.gz VQMHDHGXQNEUTK-GFCCVEGCSA-N 1 0 386.290 1.962 20 0 GDADRO Cn1cc(Br)c(CNC(=O)NCCN2CCC([NH+](C)C)CC2)n1 ZINC000458571396 647443543 /nfs/dbraw/zinc/44/35/43/647443543.db2.gz AGIRGFIGNGIURH-UHFFFAOYSA-N 1 0 387.326 1.008 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000458986893 647453802 /nfs/dbraw/zinc/45/38/02/647453802.db2.gz SIUGRFFGQIZRBV-BZUAXINKSA-N 1 0 376.567 1.514 20 0 GDADRO C[C@@H](CNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)[NH+](C)C 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CC[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000487217565 647945095 /nfs/dbraw/zinc/94/50/95/647945095.db2.gz HTUIOLAZHQXSGS-UHFFFAOYSA-N 1 0 397.328 1.523 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000488350613 647958588 /nfs/dbraw/zinc/95/85/88/647958588.db2.gz PNPWUKHSGTUDHJ-CMPLNLGQSA-N 1 0 377.869 1.071 20 0 GDADRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000488773540 647965863 /nfs/dbraw/zinc/96/58/63/647965863.db2.gz ZBYMHALDUKTDMM-CHWSQXEVSA-N 1 0 387.311 1.740 20 0 GDADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000495186189 648010838 /nfs/dbraw/zinc/01/08/38/648010838.db2.gz BEIVQUXYBOSMKX-UHFFFAOYSA-N 1 0 380.919 1.115 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)c2ccccc2)C[C@H]1[NH+](C)C ZINC000495714194 648015611 /nfs/dbraw/zinc/01/56/11/648015611.db2.gz YOYUIHWOIYQWIS-OWCLPIDISA-N 1 0 379.551 1.706 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000497351910 648025797 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648325548 /nfs/dbraw/zinc/32/55/48/648325548.db2.gz NBNOFHZEMPSEHK-QGZVFWFLSA-N 1 0 385.917 1.705 20 0 GDADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000511189800 648358071 /nfs/dbraw/zinc/35/80/71/648358071.db2.gz FGUOXWSNKAFBST-UHFFFAOYSA-N 1 0 381.495 1.063 20 0 GDADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)c2nc(C)c(C)s2)CC1 ZINC000511415254 648375860 /nfs/dbraw/zinc/37/58/60/648375860.db2.gz OIFRMABDEMJHRT-UHFFFAOYSA-N 1 0 391.559 1.508 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](COC(F)F)C1 ZINC000511431319 648378186 /nfs/dbraw/zinc/37/81/86/648378186.db2.gz RRKUOWHVOZRLSM-CYBMUJFWSA-N 1 0 380.461 1.311 20 0 GDADRO CC[C@H](C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl)[NH+](CC)CC ZINC000511923075 648391448 /nfs/dbraw/zinc/39/14/48/648391448.db2.gz HQPFMALLZIPXPD-CQSZACIVSA-N 1 0 393.912 1.994 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CSC[C@H]1C ZINC000512161051 648398661 /nfs/dbraw/zinc/39/86/61/648398661.db2.gz CONTYHMCGSZQOX-ZIAGYGMSSA-N 1 0 391.580 1.985 20 0 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CC(C)[C@@](C)(CO)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000517000265 648549415 /nfs/dbraw/zinc/54/94/15/648549415.db2.gz YWZCOOQLBXXGRV-MRXNPFEDSA-N 1 0 391.921 1.525 20 0 GDADRO C[C@@H]1C[C@@H](C)N(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000517123679 648555863 /nfs/dbraw/zinc/55/58/63/648555863.db2.gz YAEOAESEAVQGDF-IJLUTSLNSA-N 1 0 393.962 1.854 20 0 GDADRO COc1c[nH+]ccc1N1CCN(c2ncc(I)cn2)CC1 ZINC000517646921 648572697 /nfs/dbraw/zinc/57/26/97/648572697.db2.gz KYTYQDWUPCOUQC-UHFFFAOYSA-N 1 0 397.220 1.811 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000517995930 648584257 /nfs/dbraw/zinc/58/42/57/648584257.db2.gz YKNSUSJWTPPXGX-CHWSQXEVSA-N 1 0 397.317 1.869 20 0 GDADRO O=C(C(=O)N1CCc2cccc(Br)c2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000518165898 648588552 /nfs/dbraw/zinc/58/85/52/648588552.db2.gz UOSTVMULZNZBMC-UONOGXRCSA-N 1 0 392.297 1.402 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000518493131 648600066 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C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000519151057 648622802 /nfs/dbraw/zinc/62/28/02/648622802.db2.gz AMTBNUUUXXGDJA-NXEZZACHSA-N 1 0 380.873 1.182 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NCC2([NH3+])CCC2)c1 ZINC000519650427 648632912 /nfs/dbraw/zinc/63/29/12/648632912.db2.gz JECQXFXPYYXUEY-UHFFFAOYSA-N 1 0 377.260 1.395 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCN(S(C)(=O)=O)C3)cnc12 ZINC000520238759 648647471 /nfs/dbraw/zinc/64/74/71/648647471.db2.gz XRSGLSNTHHOVBJ-GFCCVEGCSA-N 1 0 387.303 1.529 20 0 GDADRO C[C@H](C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)S(C)(=O)=O ZINC000520812913 648650699 /nfs/dbraw/zinc/65/06/99/648650699.db2.gz JGCCTHZQXURIQD-PWSUYJOCSA-N 1 0 382.295 1.762 20 0 GDADRO [NH3+]CCC1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000521453425 648657332 /nfs/dbraw/zinc/65/73/32/648657332.db2.gz ASFWQHCNDFDTHV-UHFFFAOYSA-N 1 0 375.441 1.221 20 0 GDADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CC(=O)NCCC(C)(C)C)CC1 ZINC000522030192 648668030 /nfs/dbraw/zinc/66/80/30/648668030.db2.gz CMXLOPXJMDALJH-HNNXBMFYSA-N 1 0 375.579 1.921 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3n[nH]cc3Br)C2)CC1 ZINC000523431835 648683288 /nfs/dbraw/zinc/68/32/88/648683288.db2.gz UZLWWEMFJOLABG-LBPRGKRZSA-N 1 0 385.310 1.094 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)CS(=O)(=O)CC)[C@@H](C)C1 ZINC000523766602 648688564 /nfs/dbraw/zinc/68/85/64/648688564.db2.gz PQBHIHXAJIQREM-JYJNAYRXSA-N 1 0 377.551 1.246 20 0 GDADRO CSc1nnc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000525840460 648699860 /nfs/dbraw/zinc/69/98/60/648699860.db2.gz LMGVXYZKUUUFDJ-QWHCGFSZSA-N 1 0 385.559 1.827 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000527003582 648704329 /nfs/dbraw/zinc/70/43/29/648704329.db2.gz ITMKTSQQVZGCKJ-RYUDHWBXSA-N 1 0 388.295 1.637 20 0 GDADRO O=C(CCc1cc(Br)cs1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000571162873 651067237 /nfs/dbraw/zinc/06/72/37/651067237.db2.gz KQLIYEYXMWEUPE-UHFFFAOYSA-N 1 0 385.291 1.610 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000571164668 651067497 /nfs/dbraw/zinc/06/74/97/651067497.db2.gz UPVFVXACMTXFPZ-UHFFFAOYSA-N 1 0 383.539 1.540 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H](C)SC ZINC000571277605 651071059 /nfs/dbraw/zinc/07/10/59/651071059.db2.gz NCVXPXWAOVDGHV-ZDUSSCGKSA-N 1 0 379.569 1.985 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cc(Br)cc4ccccc43)CCN2C1=O ZINC000571299587 651072425 /nfs/dbraw/zinc/07/24/25/651072425.db2.gz VPHJJRPRSRULHD-BBRMVZONSA-N 1 0 388.265 1.986 20 0 GDADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571345689 651074127 /nfs/dbraw/zinc/07/41/27/651074127.db2.gz RMZNHUTXVULRHQ-DGFSRKRXSA-N 1 0 385.295 1.878 20 0 GDADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000571481209 651077730 /nfs/dbraw/zinc/07/77/30/651077730.db2.gz VDALDFPMGPTXAE-CABCVRRESA-N 1 0 386.539 1.654 20 0 GDADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000571481214 651077808 /nfs/dbraw/zinc/07/78/08/651077808.db2.gz VDALDFPMGPTXAE-LSDHHAIUSA-N 1 0 386.539 1.654 20 0 GDADRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)C1CCS(=O)(=O)CC1 ZINC000571860615 651084662 /nfs/dbraw/zinc/08/46/62/651084662.db2.gz JUXOSTMUGBNFPB-CYBMUJFWSA-N 1 0 392.518 1.249 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000571938757 651087500 /nfs/dbraw/zinc/08/75/00/651087500.db2.gz GBGINLZISBMJLT-GZMMTYOYSA-N 1 0 381.267 1.873 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000572119604 651090876 /nfs/dbraw/zinc/09/08/76/651090876.db2.gz WERXNKWBOAYWGM-VXGBXAGGSA-N 1 0 376.910 1.433 20 0 GDADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCCn2cc(Br)cn2)C[C@H](C)O1 ZINC000572236331 651092578 /nfs/dbraw/zinc/09/25/78/651092578.db2.gz BLMZMKGROVYYKA-LZWOXQAQSA-N 1 0 389.338 1.486 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000572291133 651094157 /nfs/dbraw/zinc/09/41/57/651094157.db2.gz BYYKXTNMSNFRPI-OAHLLOKOSA-N 1 0 398.301 1.280 20 0 GDADRO O=C(NCc1ccc(I)c(Cl)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000572365209 651095139 /nfs/dbraw/zinc/09/51/39/651095139.db2.gz GXWBWPIPCNQMDN-GZMMTYOYSA-N 1 0 380.613 1.284 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000572403429 651096247 /nfs/dbraw/zinc/09/62/47/651096247.db2.gz JKMUOOXFNDDRCI-QWHCGFSZSA-N 1 0 377.532 1.633 20 0 GDADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C[C@@H](C)C1 ZINC000572509651 651099126 /nfs/dbraw/zinc/09/91/26/651099126.db2.gz SXNSLYCUUCMKQK-GMXVVIOVSA-N 1 0 393.289 1.689 20 0 GDADRO CCN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000572517941 651099249 /nfs/dbraw/zinc/09/92/49/651099249.db2.gz QSGOZUOXRAPOJE-CVEARBPZSA-N 1 0 385.555 1.445 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000572598880 651099837 /nfs/dbraw/zinc/09/98/37/651099837.db2.gz CFTPCIIJGKJUCO-GFCCVEGCSA-N 1 0 379.873 1.589 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)nc1 ZINC000572644849 651101280 /nfs/dbraw/zinc/10/12/80/651101280.db2.gz NFJZUQWBEUNHKG-HNNXBMFYSA-N 1 0 380.857 1.169 20 0 GDADRO CSC[C@H](O)C[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000572752675 651104874 /nfs/dbraw/zinc/10/48/74/651104874.db2.gz CUAGPYAEGAXIKJ-LLVKDONJSA-N 1 0 397.360 1.349 20 0 GDADRO CC(C)COC[C@H](O)C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000572752999 651104883 /nfs/dbraw/zinc/10/48/83/651104883.db2.gz SNYBNGPTGFIVKL-HUUCEWRRSA-N 1 0 376.544 1.382 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000573084383 651467300 /nfs/dbraw/zinc/46/73/00/651467300.db2.gz SUOBFLKXSFCYSU-HZPDHXFCSA-N 1 0 376.906 1.231 20 0 GDADRO CN(CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000573111050 651468528 /nfs/dbraw/zinc/46/85/28/651468528.db2.gz PWSLBPMFTNCLRK-TUAOUCFPSA-N 1 0 391.946 1.608 20 0 GDADRO O=C(c1ncsc1Br)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000573385751 651477122 /nfs/dbraw/zinc/47/71/22/651477122.db2.gz IAEGZYHISIMKNO-JTQLQIEISA-N 1 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651510336 /nfs/dbraw/zinc/51/03/36/651510336.db2.gz QHKYPCYXHSZLBO-SWLSCSKDSA-N 1 0 386.279 1.703 20 0 GDADRO C[C@H](COC1CCCC1)CS(=O)(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000574078468 651515162 /nfs/dbraw/zinc/51/51/62/651515162.db2.gz LJVDGVNIUXZFOW-IAGOWNOFSA-N 1 0 375.579 1.385 20 0 GDADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000574168550 651520503 /nfs/dbraw/zinc/52/05/03/651520503.db2.gz GOGMCZZQSYPFQO-GOEBONIOSA-N 1 0 379.551 1.965 20 0 GDADRO CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)NCCCC[NH3+])cc1Cl ZINC000574205358 651522770 /nfs/dbraw/zinc/52/27/70/651522770.db2.gz XCQJNFAIXPMBGG-UHFFFAOYSA-N 1 0 398.312 1.478 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000574219209 651524624 /nfs/dbraw/zinc/52/46/24/651524624.db2.gz JVHJUOXWAVIVNX-INIZCTEOSA-N 1 0 391.603 1.382 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC12CCOCC2 ZINC000574276442 651528046 /nfs/dbraw/zinc/52/80/46/651528046.db2.gz BRCCSHXWUMUJTB-ZDUSSCGKSA-N 1 0 376.881 1.996 20 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GDADRO CC(C)([NH3+])c1nocc1C(=O)NC[C@H](O)COc1ccccc1Br ZINC000575429982 651596385 /nfs/dbraw/zinc/59/63/85/651596385.db2.gz KEXVFLHKSRFREW-JTQLQIEISA-N 1 0 398.257 1.801 20 0 GDADRO CN1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)[C@@H](C[NH3+])C1 ZINC000575801406 651604416 /nfs/dbraw/zinc/60/44/16/651604416.db2.gz QTWSHKMRMFLKMG-NSHDSACASA-N 1 0 379.814 1.657 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000575865695 651609661 /nfs/dbraw/zinc/60/96/61/651609661.db2.gz OSEUBJBONKZNSE-DZGCQCFKSA-N 1 0 385.555 1.579 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000576031583 651619208 /nfs/dbraw/zinc/61/92/08/651619208.db2.gz DXJQKHUUJWDLQQ-NSHDSACASA-N 1 0 386.909 1.919 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000576347104 651655472 /nfs/dbraw/zinc/65/54/72/651655472.db2.gz YLEMQQXQXDNEGX-NOZJJQNGSA-N 1 0 388.693 1.833 20 0 GDADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000576581413 651672522 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Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])nc12 ZINC000577178055 651713331 /nfs/dbraw/zinc/71/33/31/651713331.db2.gz FEJHROHHRGFASQ-GHMZBOCLSA-N 1 0 396.289 1.263 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)Cn2cccn2)cc1C(F)(F)F ZINC000577366268 651726279 /nfs/dbraw/zinc/72/62/79/651726279.db2.gz QOVOOWJVJVPDBV-LBPRGKRZSA-N 1 0 377.388 1.456 20 0 GDADRO CN1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)[C@@H](C[NH3+])C1 ZINC000577490939 651732530 /nfs/dbraw/zinc/73/25/30/651732530.db2.gz AIDMZZWVYXTQMV-JTQLQIEISA-N 1 0 379.258 1.418 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000577511767 651734749 /nfs/dbraw/zinc/73/47/49/651734749.db2.gz AOZWDQPQOYAPTN-STQMWFEESA-N 1 0 390.502 1.239 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1nc(C2CC2)ncc1Br ZINC000577626745 651743558 /nfs/dbraw/zinc/74/35/58/651743558.db2.gz QPIPJIHCFRGSKA-LBPRGKRZSA-N 1 0 385.306 1.939 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000577856880 651759025 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1.471 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000578539398 651798680 /nfs/dbraw/zinc/79/86/80/651798680.db2.gz UNOAMODVHLAKAA-QWHCGFSZSA-N 1 0 380.557 1.172 20 0 GDADRO CN(C)c1ncc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)n1C ZINC000578641399 651802837 /nfs/dbraw/zinc/80/28/37/651802837.db2.gz YSLXEKBEDYQHTF-AWEZNQCLSA-N 1 0 383.290 1.778 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000578639334 651802952 /nfs/dbraw/zinc/80/29/52/651802952.db2.gz FPVNQLGNQQAWBE-RLFDGXBXSA-N 1 0 396.285 1.677 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000578677789 651807193 /nfs/dbraw/zinc/80/71/93/651807193.db2.gz MMZSCSXIVYYECM-IXDOHACOSA-N 1 0 394.603 1.489 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000578891642 651822830 /nfs/dbraw/zinc/82/28/30/651822830.db2.gz OZCRMQFOOLRAGD-QWRGUYRKSA-N 1 0 395.319 1.878 20 0 GDADRO CC[NH+]1CCN(CC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000579050608 651834946 /nfs/dbraw/zinc/83/49/46/651834946.db2.gz DTTYPHYOPMFELJ-UHFFFAOYSA-N 1 0 387.933 1.258 20 0 GDADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1cccc2nsnc21 ZINC000579218206 651841302 /nfs/dbraw/zinc/84/13/02/651841302.db2.gz TYNOGXZQGAXCAT-UHFFFAOYSA-N 1 0 381.527 1.186 20 0 GDADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(F)F ZINC000579229451 651842980 /nfs/dbraw/zinc/84/29/80/651842980.db2.gz AEUFOJLZPKCZCQ-QWRGUYRKSA-N 1 0 381.470 1.390 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c(Br)c1 ZINC000579230546 651843191 /nfs/dbraw/zinc/84/31/91/651843191.db2.gz OPQYKTHQDNLZAP-IUCAKERBSA-N 1 0 379.276 1.640 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000579309696 651849861 /nfs/dbraw/zinc/84/98/61/651849861.db2.gz PPSBCYQLFURYLD-MRXNPFEDSA-N 1 0 386.539 1.526 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000579497718 651864314 /nfs/dbraw/zinc/86/43/14/651864314.db2.gz BQWDFXLBHACVHG-CQSZACIVSA-N 1 0 387.933 1.857 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ZINC000580050699 651891675 /nfs/dbraw/zinc/89/16/75/651891675.db2.gz RAPYSJYCHAVLSO-BPLDGKMQSA-N 1 0 392.297 1.924 20 0 GDADRO C[NH+](C)C[C@H](CNC(=O)CCN1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000580249405 651907728 /nfs/dbraw/zinc/90/77/28/651907728.db2.gz BDFMJZBFJJJPNL-HNNXBMFYSA-N 1 0 387.933 1.527 20 0 GDADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000580300112 651910176 /nfs/dbraw/zinc/91/01/76/651910176.db2.gz PGSCGMLKEBHHRK-ZDUSSCGKSA-N 1 0 395.301 1.412 20 0 GDADRO CO[C@@H](CC(C)C)CS(=O)(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000580299971 651910364 /nfs/dbraw/zinc/91/03/64/651910364.db2.gz SBSORWCZZHYFCI-ROUUACIJSA-N 1 0 375.579 1.478 20 0 GDADRO Cc1cccc(Cl)c1S(=O)(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580311780 651911347 /nfs/dbraw/zinc/91/13/47/651911347.db2.gz QRSDLEOMPMAWHC-LBPRGKRZSA-N 1 0 385.839 1.763 20 0 GDADRO NS(=O)(=O)Cc1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1 ZINC000580548761 651924629 /nfs/dbraw/zinc/92/46/29/651924629.db2.gz IENGSCAARDYVIG-UHFFFAOYSA-N 1 0 380.495 1.651 20 0 GDADRO [NH3+]CC[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(F)F ZINC000580659635 651932152 /nfs/dbraw/zinc/93/21/52/651932152.db2.gz KUGQMUHQVKJIPR-KBPBESRZSA-N 1 0 375.441 1.193 20 0 GDADRO Ic1cnc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000580920033 651947963 /nfs/dbraw/zinc/94/79/63/651947963.db2.gz QWDVPFXRZCBRJN-NSHDSACASA-N 1 0 393.294 1.902 20 0 GDADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000581489244 651977979 /nfs/dbraw/zinc/97/79/79/651977979.db2.gz RLBFHZAUVQDDDS-LBPRGKRZSA-N 1 0 395.859 1.610 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Cl)c4ccccc43)CCN2C1=O ZINC000581499984 651978983 /nfs/dbraw/zinc/97/89/83/651978983.db2.gz ZFYWVFVOBOOUEL-NHYWBVRUSA-N 1 0 379.869 1.426 20 0 GDADRO CNS(=O)(=O)NC1CC[NH+](Cc2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000582094238 651983997 /nfs/dbraw/zinc/98/39/97/651983997.db2.gz ARZDJTKFERDMRP-UHFFFAOYSA-N 1 0 377.457 1.923 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CCC[NH3+])c(OC)c1 ZINC000582300910 651987011 /nfs/dbraw/zinc/98/70/11/651987011.db2.gz JNSJBPDTEUVITO-GFCCVEGCSA-N 1 0 393.531 1.253 20 0 GDADRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000582415105 651994933 /nfs/dbraw/zinc/99/49/33/651994933.db2.gz AAUWCPDSUFHBKO-DGCLKSJQSA-N 1 0 390.274 1.722 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000582430237 651995964 /nfs/dbraw/zinc/99/59/64/651995964.db2.gz ROHBHMIXCGCFEK-UHFFFAOYSA-N 1 0 377.894 1.076 20 0 GDADRO CSC[C@H](O)C[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000582482486 651999012 /nfs/dbraw/zinc/99/90/12/651999012.db2.gz DPEUTKGMCHJGCF-LLVKDONJSA-N 1 0 397.360 1.431 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000582547075 652003656 /nfs/dbraw/zinc/00/36/56/652003656.db2.gz JEIDYOJTDNKOQL-VIFPVBQESA-N 1 0 399.822 1.457 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000582964563 652022460 /nfs/dbraw/zinc/02/24/60/652022460.db2.gz UAHVAHHEZYNWJB-ZDUSSCGKSA-N 1 0 382.454 1.146 20 0 GDADRO Cc1sc2nc(C)nc(SCC(=O)N3CCN(C)C[C@H]3C[NH3+])c2c1C ZINC000583023430 652023300 /nfs/dbraw/zinc/02/33/00/652023300.db2.gz PIKNPQUYMMOMPY-CYBMUJFWSA-N 1 0 379.555 1.810 20 0 GDADRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2F)CC1 ZINC000584237033 652063158 /nfs/dbraw/zinc/06/31/58/652063158.db2.gz INFHRLAOLDSMCT-UHFFFAOYSA-N 1 0 376.450 1.232 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000584460063 652071086 /nfs/dbraw/zinc/07/10/86/652071086.db2.gz XGWZPMXZDHVPPS-STQMWFEESA-N 1 0 398.301 1.530 20 0 GDADRO CC[NH2+]CCCNC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000584718915 652079302 /nfs/dbraw/zinc/07/93/02/652079302.db2.gz AEQUOTHSJSWDOE-JTQLQIEISA-N 1 0 382.258 1.549 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000584733004 652080250 /nfs/dbraw/zinc/08/02/50/652080250.db2.gz VQXXMRMFEKPLJG-UHFFFAOYSA-N 1 0 379.251 1.795 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(I)cc3)[C@@H]2C1 ZINC000589930520 652122274 /nfs/dbraw/zinc/12/22/74/652122274.db2.gz YZQVIRREQVFGTD-GXFFZTMASA-N 1 0 392.262 1.616 20 0 GDADRO CSc1ncc(Cl)c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000590316633 652126957 /nfs/dbraw/zinc/12/69/57/652126957.db2.gz PQXNTYACMOHQGH-GFCCVEGCSA-N 1 0 385.921 1.524 20 0 GDADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000590752671 652144731 /nfs/dbraw/zinc/14/47/31/652144731.db2.gz QIGGQXWGSKCECT-YPMHNXCESA-N 1 0 388.873 1.613 20 0 GDADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000592207205 652176968 /nfs/dbraw/zinc/17/69/68/652176968.db2.gz JEGHCNXXXBDIGJ-MRVWCRGKSA-N 1 0 388.258 1.045 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1OC ZINC000592375818 652184435 /nfs/dbraw/zinc/18/44/35/652184435.db2.gz LRWZSLWFFQZBIH-ZJUUUORDSA-N 1 0 376.862 1.506 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1OC ZINC000592375433 652184480 /nfs/dbraw/zinc/18/44/80/652184480.db2.gz KSQWARUJBHLNKN-GFCCVEGCSA-N 1 0 388.873 1.650 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1OC ZINC000592380919 652185367 /nfs/dbraw/zinc/18/53/67/652185367.db2.gz VDKZWCVITBHOOQ-MNOVXSKESA-N 1 0 376.862 1.683 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592381481 652185373 /nfs/dbraw/zinc/18/53/73/652185373.db2.gz PIUMQYXZKBOALF-ZWNOBZJWSA-N 1 0 392.262 1.664 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)CC[C@@H]1[NH3+] ZINC000592382905 652186387 /nfs/dbraw/zinc/18/63/87/652186387.db2.gz UXWKWQHBPDKDDB-GWCFXTLKSA-N 1 0 390.889 1.883 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000592550705 652194124 /nfs/dbraw/zinc/19/41/24/652194124.db2.gz HBCACBNQLLLHSQ-CABCVRRESA-N 1 0 381.270 1.842 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCCOc1ccccc1Br ZINC000592550043 652194469 /nfs/dbraw/zinc/19/44/69/652194469.db2.gz DCORPPCQVSFSSL-CQSZACIVSA-N 1 0 399.285 1.972 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000593734583 652245866 /nfs/dbraw/zinc/24/58/66/652245866.db2.gz NRKLKFLCSNBGPP-AVGNSLFASA-N 1 0 388.511 1.442 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000593903544 652260980 /nfs/dbraw/zinc/26/09/80/652260980.db2.gz FYSHSPKTDHVSGS-SNVBAGLBSA-N 1 0 383.180 1.787 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000593906865 652261405 /nfs/dbraw/zinc/26/14/05/652261405.db2.gz DFVGZULAGSBOTQ-TZMCWYRMSA-N 1 0 397.269 1.679 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000593917981 652262033 /nfs/dbraw/zinc/26/20/33/652262033.db2.gz ODLPKPJPOPUMIU-NKFCBESUSA-N 1 0 385.258 1.412 20 0 GDADRO [NH3+]C[C@H](NC(=O)COc1ccc(I)cc1)C(F)(F)F ZINC000594450457 652287629 /nfs/dbraw/zinc/28/76/29/652287629.db2.gz NOZNQYBWJQIDAT-VIFPVBQESA-N 1 0 388.127 1.676 20 0 GDADRO COc1ccc(OCCCS(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000594464967 652296427 /nfs/dbraw/zinc/29/64/27/652296427.db2.gz BYLBFNDTYOGGTQ-DLBZAZTESA-N 1 0 388.555 1.771 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)c1F ZINC000594465552 652297150 /nfs/dbraw/zinc/29/71/50/652297150.db2.gz CKWQZWRTBPGFDH-AOOOYVTPSA-N 1 0 376.837 1.448 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1F ZINC000594532022 652311180 /nfs/dbraw/zinc/31/11/80/652311180.db2.gz YVBQNYPUWXXYTA-CABZTGNLSA-N 1 0 376.837 1.638 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC2CC[NH2+]CC2)c1F ZINC000594532436 652311391 /nfs/dbraw/zinc/31/13/91/652311391.db2.gz SNJJBBOLAFBMCT-UHFFFAOYSA-N 1 0 378.853 1.934 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000594659004 652342892 /nfs/dbraw/zinc/34/28/92/652342892.db2.gz GBONQFOLUAZLCK-ZDUSSCGKSA-N 1 0 379.592 1.473 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cnc1C(F)F ZINC000594822715 652374077 /nfs/dbraw/zinc/37/40/77/652374077.db2.gz ZKQOQRFQASDCSA-JTQLQIEISA-N 1 0 379.429 1.814 20 0 GDADRO Cc1nc(-c2cccs2)c(CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000594885778 652386047 /nfs/dbraw/zinc/38/60/47/652386047.db2.gz KWHJNONKVWGIQF-VXGBXAGGSA-N 1 0 376.507 1.493 20 0 GDADRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000594914751 652386966 /nfs/dbraw/zinc/38/69/66/652386966.db2.gz KFVTUNITZSEDLV-KWCYVHTRSA-N 1 0 388.511 1.056 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000595108226 652392497 /nfs/dbraw/zinc/39/24/97/652392497.db2.gz LDXQZNFRDMZHFA-VHSXEESVSA-N 1 0 391.287 1.607 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000595108582 652392557 /nfs/dbraw/zinc/39/25/57/652392557.db2.gz QTVSISIJRGXDKM-AOOOYVTPSA-N 1 0 389.271 1.076 20 0 GDADRO C[C@H](CCNC(=O)C(=O)Nc1cccc(I)c1)[NH+](C)C ZINC000595126864 652394343 /nfs/dbraw/zinc/39/43/43/652394343.db2.gz WNIMXCQMWOYYOV-SNVBAGLBSA-N 1 0 389.237 1.686 20 0 GDADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1nc2cc(I)ccc2[nH]1 ZINC000595259450 652400260 /nfs/dbraw/zinc/40/02/60/652400260.db2.gz NGJULZZGBLENCM-SECBINFHSA-N 1 0 386.193 1.485 20 0 GDADRO [NH3+]CCCn1cc(C(=O)NCCc2ccc(I)cc2)nn1 ZINC000595258328 652400331 /nfs/dbraw/zinc/40/03/31/652400331.db2.gz BTPOHHBMHOXLQO-UHFFFAOYSA-N 1 0 399.236 1.204 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(Br)c(F)c3)CCN2C1=O ZINC000595265393 652401045 /nfs/dbraw/zinc/40/10/45/652401045.db2.gz KQXSFGPLHJKQRN-ZWNOBZJWSA-N 1 0 385.237 1.042 20 0 GDADRO O=C(NCCc1ccc(I)cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000595274994 652401686 /nfs/dbraw/zinc/40/16/86/652401686.db2.gz YOINXISNOPYPKE-ZDUSSCGKSA-N 1 0 389.237 1.121 20 0 GDADRO COC(=O)c1oc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1C ZINC000595330190 652408569 /nfs/dbraw/zinc/40/85/69/652408569.db2.gz KKZIXWILIKLSKQ-OLZOCXBDSA-N 1 0 388.511 1.575 20 0 GDADRO COC(=O)CCN1CC[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2)C1=O ZINC000595500291 652418238 /nfs/dbraw/zinc/41/82/38/652418238.db2.gz DNBJZQKWLGOPHR-UONOGXRCSA-N 1 0 385.258 1.236 20 0 GDADRO COC(=O)[C@@H](c1ccccc1Br)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000595894120 652425276 /nfs/dbraw/zinc/42/52/76/652425276.db2.gz VLTJJUIJXOFODA-NUEKZKHPSA-N 1 0 393.285 1.823 20 0 GDADRO COC(=O)[C@H](c1ccccc1Br)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000595894119 652425319 /nfs/dbraw/zinc/42/53/19/652425319.db2.gz VLTJJUIJXOFODA-IMJJTQAJSA-N 1 0 393.285 1.823 20 0 GDADRO C[C@@H]1C[N@H+](C)CCN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000596604774 652441588 /nfs/dbraw/zinc/44/15/88/652441588.db2.gz SKDAKKROJSKMPT-CQSZACIVSA-N 1 0 384.318 1.922 20 0 GDADRO Cc1ccc(I)cc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000597623594 652455384 /nfs/dbraw/zinc/45/53/84/652455384.db2.gz BFHJDJXZXZPQLZ-AWEZNQCLSA-N 1 0 399.276 1.719 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Cc2ccc(Br)cc2F)CC[N@H+](C)C1 ZINC000597772044 652460029 /nfs/dbraw/zinc/46/00/29/652460029.db2.gz BWODRDWIKACSTC-LBPRGKRZSA-N 1 0 387.249 1.694 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c(Br)c1 ZINC000599110409 652478943 /nfs/dbraw/zinc/47/89/43/652478943.db2.gz FPUSHEBORBYKAY-GZMMTYOYSA-N 1 0 377.260 1.264 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CN(C)C)c2ccc(Cl)cc2)on1 ZINC000599305328 652483241 /nfs/dbraw/zinc/48/32/41/652483241.db2.gz WTSFLCNTHHNIDX-ZDUSSCGKSA-N 1 0 387.845 1.696 20 0 GDADRO COC(=O)[C@]1(OC)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000599569614 652508542 /nfs/dbraw/zinc/50/85/42/652508542.db2.gz YCDFJNODYXIQRB-LRDDRELGSA-N 1 0 378.252 1.997 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NCCOCC[NH2+]C ZINC000599602517 652510616 /nfs/dbraw/zinc/51/06/16/652510616.db2.gz DCTXAKSRPPTKAU-UHFFFAOYSA-N 1 0 388.262 1.983 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000599602788 652510701 /nfs/dbraw/zinc/51/07/01/652510701.db2.gz PRSCHINEVIWVTC-UHFFFAOYSA-N 1 0 386.246 1.865 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000599895411 652517050 /nfs/dbraw/zinc/51/70/50/652517050.db2.gz BZTZMWZUSJSADR-NWDGAFQWSA-N 1 0 387.221 1.486 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1Br ZINC000599895815 652517250 /nfs/dbraw/zinc/51/72/50/652517250.db2.gz LGRPTTDMXZCXRG-GXSJLCMTSA-N 1 0 398.257 1.431 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1Br ZINC000599896712 652517284 /nfs/dbraw/zinc/51/72/84/652517284.db2.gz RJCIYRKMRMHADL-UWVGGRQHSA-N 1 0 398.257 1.431 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000600796426 652553808 /nfs/dbraw/zinc/55/38/08/652553808.db2.gz KZVDEBGEDWZOIW-HNNXBMFYSA-N 1 0 379.869 1.883 20 0 GDADRO CS[C@@H]1CCCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000600796482 652554121 /nfs/dbraw/zinc/55/41/21/652554121.db2.gz HXZYJSGSWOKWGS-YNEHKIRRSA-N 1 0 381.464 1.716 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)C[C@H]1[NH+](C)C ZINC000601379859 652573311 /nfs/dbraw/zinc/57/33/11/652573311.db2.gz FZGHDQJMCWJYIB-HZPDHXFCSA-N 1 0 381.523 1.503 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCC2([NH+](C)C)CC2)c(Br)c1 ZINC000601449191 652583276 /nfs/dbraw/zinc/58/32/76/652583276.db2.gz WDZRUOMNPDQOHD-UHFFFAOYSA-N 1 0 391.287 1.608 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000601575721 652595232 /nfs/dbraw/zinc/59/52/32/652595232.db2.gz RNYUNUUFCMYKFB-ONGXEEELSA-N 1 0 387.221 1.486 20 0 GDADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@]12CCC(=O)N1CCS2 ZINC000601742154 652601207 /nfs/dbraw/zinc/60/12/07/652601207.db2.gz PSZJREXMOVPVLN-SFHVURJKSA-N 1 0 383.583 1.920 20 0 GDADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@]12CCC(=O)N1CCS2 ZINC000601742153 652601220 /nfs/dbraw/zinc/60/12/20/652601220.db2.gz PSZJREXMOVPVLN-GOSISDBHSA-N 1 0 383.583 1.920 20 0 GDADRO Cn1cc(I)c(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000602161870 652621817 /nfs/dbraw/zinc/62/18/17/652621817.db2.gz YKIDYVRBWPTEFU-CYBMUJFWSA-N 1 0 388.253 1.658 20 0 GDADRO COC(=O)CSCc1cccc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)c1 ZINC000602452070 652637214 /nfs/dbraw/zinc/63/72/14/652637214.db2.gz FGGPVMCBKGAZRV-VWLOTQADSA-N 1 0 384.523 1.532 20 0 GDADRO C[S@](=O)C1(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC[NH2+]CC1 ZINC000602479933 652639306 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394.313 1.974 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(Br)ccc1OC(F)F ZINC000629918110 653193006 /nfs/dbraw/zinc/19/30/06/653193006.db2.gz XVWNQRLAWNSKHQ-JTQLQIEISA-N 1 0 379.201 1.847 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000630572602 653217480 /nfs/dbraw/zinc/21/74/80/653217480.db2.gz KHXSAFDWYRBXPP-UHFFFAOYSA-N 1 0 378.464 1.886 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000631510972 653237894 /nfs/dbraw/zinc/23/78/94/653237894.db2.gz RYEVAHNBSMXXBS-LBPRGKRZSA-N 1 0 384.274 1.652 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000631709996 653245459 /nfs/dbraw/zinc/24/54/59/653245459.db2.gz NPTCSRDMYROVCA-LLVKDONJSA-N 1 0 392.319 1.695 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2csc(Br)c2)CC1 ZINC000631742140 653248850 /nfs/dbraw/zinc/24/88/50/653248850.db2.gz KYEOCORVMSFYML-UHFFFAOYSA-N 1 0 396.376 1.568 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000631775054 653252612 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Cc1cc(Br)cc2c1CN(S(=O)(=O)C[C@H]1C[NH2+]CCO1)CC2 ZINC000631928900 653273338 /nfs/dbraw/zinc/27/33/38/653273338.db2.gz QISSLLMASTUWMU-CQSZACIVSA-N 1 0 389.315 1.434 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000631931956 653273689 /nfs/dbraw/zinc/27/36/89/653273689.db2.gz PBDRMSGUASUEDU-SCZZXKLOSA-N 1 0 388.291 1.158 20 0 GDADRO O=S(=O)(c1csnc1-c1ccccc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000631937422 653275017 /nfs/dbraw/zinc/27/50/17/653275017.db2.gz WFLFZHNDHVDKRK-HNNXBMFYSA-N 1 0 378.523 1.478 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000631963361 653279793 /nfs/dbraw/zinc/27/97/93/653279793.db2.gz AHNYHTMTDLTHBC-LBPRGKRZSA-N 1 0 376.404 1.677 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000631962758 653279888 /nfs/dbraw/zinc/27/98/88/653279888.db2.gz SHKXHVPTONRVNM-UHFFFAOYSA-N 1 0 380.491 1.214 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000631967139 653280785 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C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CCCO1 ZINC000632277942 653327926 /nfs/dbraw/zinc/32/79/26/653327926.db2.gz DVRPMNYBFIZUID-LBPRGKRZSA-N 1 0 385.511 1.781 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000632332293 653338381 /nfs/dbraw/zinc/33/83/81/653338381.db2.gz ILWWFXJCAKNCOB-QWHCGFSZSA-N 1 0 381.523 1.847 20 0 GDADRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C)C1 ZINC000632448097 653359070 /nfs/dbraw/zinc/35/90/70/653359070.db2.gz CYFDFKHCOMFCGV-CQSZACIVSA-N 1 0 389.543 1.042 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000632498273 653365249 /nfs/dbraw/zinc/36/52/49/653365249.db2.gz FZYSQKZYYIVRMD-AWEZNQCLSA-N 1 0 384.420 1.880 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CC1 ZINC000632591033 653380376 /nfs/dbraw/zinc/38/03/76/653380376.db2.gz MBIMZYACUYBNCY-FGTMMUONSA-N 1 0 383.945 1.535 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000632663394 653396310 /nfs/dbraw/zinc/39/63/10/653396310.db2.gz BTTQMKGRLGFISC-CYBMUJFWSA-N 1 0 380.461 1.106 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)s1 ZINC000632722073 653404454 /nfs/dbraw/zinc/40/44/54/653404454.db2.gz UXBDIINIMWDIPF-UHFFFAOYSA-N 1 0 381.483 1.398 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1c(Cl)cccc1OC(F)F ZINC000632995188 653418345 /nfs/dbraw/zinc/41/83/45/653418345.db2.gz NDFMVHXIRLDQHQ-LLVKDONJSA-N 1 0 376.835 1.986 20 0 GDADRO CC(C)Oc1cc(NC(=O)C(=O)N2CCC[NH2+]CC2)ccc1Br ZINC000633000874 653418407 /nfs/dbraw/zinc/41/84/07/653418407.db2.gz ROMMBOWNOZSNJJ-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000633033555 653422466 /nfs/dbraw/zinc/42/24/66/653422466.db2.gz MTVJHXYGYRDXFF-AOOOYVTPSA-N 1 0 398.257 1.368 20 0 GDADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000633153415 653429695 /nfs/dbraw/zinc/42/96/95/653429695.db2.gz KHGVKILSKJJMSF-ZDUSSCGKSA-N 1 0 398.301 1.935 20 0 GDADRO 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Cc1cc(N2CC[C@@H](NC(=O)C[NH2+]CC3CC3)C2=O)ccc1Br ZINC000646516525 653610556 /nfs/dbraw/zinc/61/05/56/653610556.db2.gz DJPXDOOJDRDANT-OAHLLOKOSA-N 1 0 380.286 1.979 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)C[C@@H]3CC[NH2+]C3)C2=O)ccc1Br ZINC000646516977 653610601 /nfs/dbraw/zinc/61/06/01/653610601.db2.gz UNQFFIRVONCTFB-WFASDCNBSA-N 1 0 380.286 1.979 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)C1 ZINC000646589924 653611249 /nfs/dbraw/zinc/61/12/49/653611249.db2.gz PZOHTGZFHKYHIL-JTQLQIEISA-N 1 0 379.873 1.865 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000646916831 653616570 /nfs/dbraw/zinc/61/65/70/653616570.db2.gz RVGZJICVZXKTOY-MAZHCROVSA-N 1 0 392.297 1.965 20 0 GDADRO CCCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cn1)[C@@H]1CC[N@H+](C)C1 ZINC000647057951 653619618 /nfs/dbraw/zinc/61/96/18/653619618.db2.gz DCOBBNWBYODJGG-TZMCWYRMSA-N 1 0 397.317 1.964 20 0 GDADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000647187709 653623005 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20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662459473 654294140 /nfs/dbraw/zinc/29/41/40/654294140.db2.gz JVKORYIJLCSPOK-AWEZNQCLSA-N 1 0 379.404 1.095 20 0 GDADRO C[C@H](CNC(=O)[C@@H](N)c1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000662480385 654296054 /nfs/dbraw/zinc/29/60/54/654296054.db2.gz RUYULOVDLAPMMQ-CJNGLKHVSA-N 1 0 383.334 1.449 20 0 GDADRO N[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000662492101 654297095 /nfs/dbraw/zinc/29/70/95/654297095.db2.gz QGTPHICXGJIDJZ-BBRMVZONSA-N 1 0 382.302 1.630 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000662677620 654299572 /nfs/dbraw/zinc/29/95/72/654299572.db2.gz ODXVSLOMCAFFJU-UHFFFAOYSA-N 1 0 380.242 1.124 20 0 GDADRO [NH3+]C1(CC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000662684878 654300079 /nfs/dbraw/zinc/30/00/79/654300079.db2.gz KYOOUDXHRNYMBV-LLVKDONJSA-N 1 0 381.274 1.903 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000662822994 654303888 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GDADRO CC(=O)N1CCCc2ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc21 ZINC000663309230 654332257 /nfs/dbraw/zinc/33/22/57/654332257.db2.gz BAQCFVFSZMRULG-CQSZACIVSA-N 1 0 379.404 1.496 20 0 GDADRO Cc1cnn(-c2ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc2F)c1 ZINC000663309455 654332284 /nfs/dbraw/zinc/33/22/84/654332284.db2.gz CQUUDOGNCTUQDS-ZDUSSCGKSA-N 1 0 380.367 1.830 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000663311114 654332539 /nfs/dbraw/zinc/33/25/39/654332539.db2.gz MEWREFFMYJNBND-SNVBAGLBSA-N 1 0 391.209 1.968 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000663310824 654332600 /nfs/dbraw/zinc/33/26/00/654332600.db2.gz WGTGZHCQIGDHLK-GFCCVEGCSA-N 1 0 388.433 1.380 20 0 GDADRO CC[NH+]1CCN(CCNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000663385846 654336680 /nfs/dbraw/zinc/33/66/80/654336680.db2.gz OMXDCDKHLWXGCP-UHFFFAOYSA-N 1 0 380.436 1.402 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc3ccc(Br)cn32)CC1 ZINC000663542087 654341379 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C[NH+](C)CC(=O)N1CCN(C(=O)Cc2ccc(Br)cc2F)CC1 ZINC000666265823 654421646 /nfs/dbraw/zinc/42/16/46/654421646.db2.gz IZAHZLRDDUASPY-UHFFFAOYSA-N 1 0 386.265 1.363 20 0 GDADRO Cn1cc(Br)c(=O)c(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000666696737 654434216 /nfs/dbraw/zinc/43/42/16/654434216.db2.gz INDJPWUWBPYTTP-LLVKDONJSA-N 1 0 387.278 1.116 20 0 GDADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCc2n[nH]cc2Br)c1 ZINC000666811978 654439244 /nfs/dbraw/zinc/43/92/44/654439244.db2.gz SOAYBLFAXLJJFR-UHFFFAOYSA-N 1 0 380.246 1.537 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000731853126 654448678 /nfs/dbraw/zinc/44/86/78/654448678.db2.gz CPYDHIGAPQKFGK-GJZGRUSLSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCO1 ZINC000667404114 654448971 /nfs/dbraw/zinc/44/89/71/654448971.db2.gz AXBQIYUXSUROKC-PRHODGIISA-N 1 0 379.766 1.872 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCO1 ZINC000667404611 654449381 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654619760 /nfs/dbraw/zinc/61/97/60/654619760.db2.gz PVASMGWSTGMQPT-REFGNXHDSA-N 1 0 377.388 1.320 20 0 GDADRO C[NH+](C)CCN1C(=O)C[C@H](N2CCc3sc(Br)cc3C2)C1=O ZINC000676409605 654640946 /nfs/dbraw/zinc/64/09/46/654640946.db2.gz OUXPDLINXKWVGF-NSHDSACASA-N 1 0 386.315 1.558 20 0 GDADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000775151608 654655569 /nfs/dbraw/zinc/65/55/69/654655569.db2.gz LMYIFOXLFGGXKQ-CYBMUJFWSA-N 1 0 385.295 1.724 20 0 GDADRO CN(C(=O)c1cc(Cn2cc(Br)cn2)on1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000676882653 654655726 /nfs/dbraw/zinc/65/57/26/654655726.db2.gz HWTXKARIWCEDAI-ZDUSSCGKSA-N 1 0 394.273 1.991 20 0 GDADRO CCC(=O)N1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000676904533 654657251 /nfs/dbraw/zinc/65/72/51/654657251.db2.gz IPPNLGMRRBVTSK-UHFFFAOYSA-N 1 0 379.935 1.670 20 0 GDADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CC2CCS(=O)(=O)CC2)CC1 ZINC000676923147 654657548 /nfs/dbraw/zinc/65/75/48/654657548.db2.gz HRQZGSVELWSCND-CQSZACIVSA-N 1 0 380.576 1.193 20 0 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654675150 /nfs/dbraw/zinc/67/51/50/654675150.db2.gz ZTZHLTRURUGXOQ-UHFFFAOYSA-N 1 0 390.303 1.388 20 0 GDADRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000679947112 654709154 /nfs/dbraw/zinc/70/91/54/654709154.db2.gz ZSDKMWITRMFXAE-NSHDSACASA-N 1 0 382.873 1.980 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000777316024 654716323 /nfs/dbraw/zinc/71/63/23/654716323.db2.gz WDJCDFLHZHKQIR-UONOGXRCSA-N 1 0 387.502 1.125 20 0 GDADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000743587733 654718020 /nfs/dbraw/zinc/71/80/20/654718020.db2.gz RZEQCNNMIIFUCK-HNNXBMFYSA-N 1 0 375.922 1.906 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)c3scnc3Br)ccn2)CC1 ZINC000777799126 654723923 /nfs/dbraw/zinc/72/39/23/654723923.db2.gz JSNHYFWXFIGHRS-UHFFFAOYSA-N 1 0 396.314 1.982 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000681789697 654738371 /nfs/dbraw/zinc/73/83/71/654738371.db2.gz ZYSSZYIVLNKMTQ-HUUCEWRRSA-N 1 0 385.555 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CC1([NH3+])CCN(C(=O)c2cccn3c(I)cnc23)CC1 ZINC000834589389 655073542 /nfs/dbraw/zinc/07/35/42/655073542.db2.gz NSNAHJRCRHOTTE-UHFFFAOYSA-N 1 0 384.221 1.892 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccn3c(I)cnc23)C1 ZINC000834598247 655074104 /nfs/dbraw/zinc/07/41/04/655074104.db2.gz AKZZKGGQJRPRAG-VHSXEESVSA-N 1 0 384.221 1.939 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccn3c(I)cnc23)C1 ZINC000834598245 655074136 /nfs/dbraw/zinc/07/41/36/655074136.db2.gz AKZZKGGQJRPRAG-UWVGGRQHSA-N 1 0 384.221 1.939 20 0 GDADRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000759161689 655078651 /nfs/dbraw/zinc/07/86/51/655078651.db2.gz WVXDOHQSWWFWAC-UHFFFAOYSA-N 1 0 377.532 1.919 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nc(Br)ccc2F)CC1 ZINC000792236633 655089087 /nfs/dbraw/zinc/08/90/87/655089087.db2.gz ARQTXTNCKXOQHL-LBPRGKRZSA-N 1 0 399.264 1.362 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000835249632 655093503 /nfs/dbraw/zinc/09/35/03/655093503.db2.gz 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CC(C)[C@H](C[NH+](C)C)NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000760584038 655118936 /nfs/dbraw/zinc/11/89/36/655118936.db2.gz DTLGGFACRBOIIL-STQMWFEESA-N 1 0 390.937 1.494 20 0 GDADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000809526689 655131722 /nfs/dbraw/zinc/13/17/22/655131722.db2.gz SIDJFUSDCRFQCP-ILXRZTDVSA-N 1 0 385.599 1.815 20 0 GDADRO C[C@@H](O)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)s1 ZINC000809660854 655135163 /nfs/dbraw/zinc/13/51/63/655135163.db2.gz OIRPHJLDZFGFBF-SECBINFHSA-N 1 0 377.438 1.543 20 0 GDADRO CCN(CCC[NH+](C)C)Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000809750455 655136264 /nfs/dbraw/zinc/13/62/64/655136264.db2.gz XCALJCPHPVXQFX-CQSZACIVSA-N 1 0 376.954 1.978 20 0 GDADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000761202586 655137721 /nfs/dbraw/zinc/13/77/21/655137721.db2.gz RPYFQULVFRIVCQ-QLFBSQMISA-N 1 0 394.269 1.905 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000810046658 655146535 /nfs/dbraw/zinc/14/65/35/655146535.db2.gz SZUBEPTYLFHZHA-HNNXBMFYSA-N 1 0 377.551 1.847 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000810054064 655147043 /nfs/dbraw/zinc/14/70/43/655147043.db2.gz AYHDXIBBRHYTPK-OAHLLOKOSA-N 1 0 377.551 1.989 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000810058907 655147303 /nfs/dbraw/zinc/14/73/03/655147303.db2.gz VEOZCXPZJAYLJY-LSDHHAIUSA-N 1 0 377.551 1.893 20 0 GDADRO Cn1nnc(Br)c1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000794572482 655147349 /nfs/dbraw/zinc/14/73/49/655147349.db2.gz ODCISPBMHNKXHS-LBPRGKRZSA-N 1 0 380.246 1.397 20 0 GDADRO C[C@@H](CCS(C)(=O)=O)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000761827967 655150119 /nfs/dbraw/zinc/15/01/19/655150119.db2.gz BILJTEKWFUMASV-HNNXBMFYSA-N 1 0 383.583 1.938 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(Br)n2)n1 ZINC000810411917 655159536 /nfs/dbraw/zinc/15/95/36/655159536.db2.gz VYTAATSFNWXICT-UHFFFAOYSA-N 1 0 381.234 1.179 20 0 GDADRO CC(C)[C@H](C[NH+](C)C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000810436831 655160921 /nfs/dbraw/zinc/16/09/21/655160921.db2.gz UCDGWQPWSRQKFL-AWEZNQCLSA-N 1 0 396.340 1.974 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(OC)c(Br)n2)CC1 ZINC000837134980 655167491 /nfs/dbraw/zinc/16/74/91/655167491.db2.gz OQBUYHVICIGKGG-UHFFFAOYSA-N 1 0 399.333 1.999 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000837239086 655172349 /nfs/dbraw/zinc/17/23/49/655172349.db2.gz HWKAYYHJXZEHRJ-UHFFFAOYSA-N 1 0 384.321 1.228 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000762701863 655174509 /nfs/dbraw/zinc/17/45/09/655174509.db2.gz SOBJCZLCADCFCW-HNNXBMFYSA-N 1 0 393.843 1.776 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000762723592 655175506 /nfs/dbraw/zinc/17/55/06/655175506.db2.gz UDRNRKCIYFUEIE-HSBHDXMMSA-N 1 0 376.194 1.080 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000762723588 655175524 /nfs/dbraw/zinc/17/55/24/655175524.db2.gz UDRNRKCIYFUEIE-DXTPNHAXSA-N 1 0 376.194 1.080 20 0 GDADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(Br)ncc1F ZINC000762756629 655176103 /nfs/dbraw/zinc/17/61/03/655176103.db2.gz CXRFTWHXAQRNNC-SECBINFHSA-N 1 0 381.267 1.574 20 0 GDADRO COc1cc([C@@H](C)NC[C@@]2(O)CC[N@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000762786855 655176887 /nfs/dbraw/zinc/17/68/87/655176887.db2.gz LHPSIVIMOKCZKJ-BZNIZROVSA-N 1 0 378.441 1.409 20 0 GDADRO CSC1(CNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC[NH+](C)CC1 ZINC000810879782 655178720 /nfs/dbraw/zinc/17/87/20/655178720.db2.gz HTCVNNGDNUMGKW-UHFFFAOYSA-N 1 0 375.491 1.030 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2c(Br)nc3n2CCCC3)CCOCC1 ZINC000837421794 655182587 /nfs/dbraw/zinc/18/25/87/655182587.db2.gz XAFOJVQWFSGNMK-UHFFFAOYSA-N 1 0 385.306 1.823 20 0 GDADRO C[C@]1(COC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1(Cl)Cl ZINC000837689528 655192751 /nfs/dbraw/zinc/19/27/51/655192751.db2.gz GJPKCLRNLXGQBC-CZUORRHYSA-N 1 0 393.311 1.827 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN(C)CC[NH+](C)C)c1 ZINC000811542748 655199684 /nfs/dbraw/zinc/19/96/84/655199684.db2.gz HJNLQGDUFRRELC-UHFFFAOYSA-N 1 0 389.949 1.747 20 0 GDADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000811601875 655200912 /nfs/dbraw/zinc/20/09/12/655200912.db2.gz QYAINUPQKPUTDQ-QMMMGPOBSA-N 1 0 398.348 1.617 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000838184653 655206940 /nfs/dbraw/zinc/20/69/40/655206940.db2.gz QXDKMFFIJODHHX-UHFFFAOYSA-N 1 0 385.486 1.739 20 0 GDADRO CC(C)(C)OC(=O)NCC1CCC([NH2+]C2CC(NS(C)(=O)=O)C2)CC1 ZINC000796378125 655211060 /nfs/dbraw/zinc/21/10/60/655211060.db2.gz SUYDIBOEOBGZPN-UHFFFAOYSA-N 1 0 375.535 1.740 20 0 GDADRO COC(=O)[C@]12C[N@H+](C[C@@H](O)c3ccccc3Br)C[C@H]1COCC2 ZINC000796520034 655213980 /nfs/dbraw/zinc/21/39/80/655213980.db2.gz MAEDJMVSDMAJSI-XGWLTEMNSA-N 1 0 384.270 1.994 20 0 GDADRO C[C@H]([NH2+]Cc1cccnc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764476532 655216979 /nfs/dbraw/zinc/21/69/79/655216979.db2.gz IKFDVXXEJITBBU-ZDUSSCGKSA-N 1 0 383.495 1.658 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCCOCC[NH+](C)C ZINC000838567180 655219826 /nfs/dbraw/zinc/21/98/26/655219826.db2.gz PUXUCPYQHGRGSX-OAHLLOKOSA-N 1 0 388.306 1.702 20 0 GDADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000812825815 655221390 /nfs/dbraw/zinc/22/13/90/655221390.db2.gz LYEKOSXRWPBMEQ-SMDDNHRTSA-N 1 0 381.420 1.244 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000812954881 655222594 /nfs/dbraw/zinc/22/25/94/655222594.db2.gz DTHQRXBDMLYTGY-UHFFFAOYSA-N 1 0 381.274 1.834 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000812956560 655222624 /nfs/dbraw/zinc/22/26/24/655222624.db2.gz SVUXUXIAXDZFMA-NEPJUHHUSA-N 1 0 381.274 1.834 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000812961670 655222845 /nfs/dbraw/zinc/22/28/45/655222845.db2.gz CKPGLTYUHOOAAW-LBPRGKRZSA-N 1 0 383.290 1.938 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000812963877 655223107 /nfs/dbraw/zinc/22/31/07/655223107.db2.gz COEOGHNHNKKDPF-GFCCVEGCSA-N 1 0 381.274 1.788 20 0 GDADRO C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000839092049 655239552 /nfs/dbraw/zinc/23/95/52/655239552.db2.gz WEAOPUWPBVFTPG-UONOGXRCSA-N 1 0 378.539 1.150 20 0 GDADRO CC(C)[N@H+](C)CCN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765625571 655244585 /nfs/dbraw/zinc/24/45/85/655244585.db2.gz ZALGSDPMHDHKQH-CQSZACIVSA-N 1 0 391.559 1.403 20 0 GDADRO CCNS(=O)(=O)[C@H]1CC[N@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000839537016 655252045 /nfs/dbraw/zinc/25/20/45/655252045.db2.gz RTTRIBNROYVMTL-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO C[C@H]([NH2+]CC1(C)COC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765951132 655254015 /nfs/dbraw/zinc/25/40/15/655254015.db2.gz JBWFBROGUGPFIF-LBPRGKRZSA-N 1 0 376.500 1.099 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000839591969 655255220 /nfs/dbraw/zinc/25/52/20/655255220.db2.gz NFQMKBOTOMQPTM-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000798326982 655262291 /nfs/dbraw/zinc/26/22/91/655262291.db2.gz ALQNUWQYCKVMDW-JTQLQIEISA-N 1 0 390.303 1.120 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814382773 655263028 /nfs/dbraw/zinc/26/30/28/655263028.db2.gz RKOADGHVLNUSMG-UHFFFAOYSA-N 1 0 390.893 1.855 20 0 GDADRO C[NH+](C)CC1(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CCC1 ZINC000798470652 655267642 /nfs/dbraw/zinc/26/76/42/655267642.db2.gz ILBZMXZUOCLFBW-UHFFFAOYSA-N 1 0 379.404 1.950 20 0 GDADRO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766558764 655269695 /nfs/dbraw/zinc/26/96/95/655269695.db2.gz HNGARSPAPVWCGX-BBRMVZONSA-N 1 0 390.527 1.632 20 0 GDADRO O=C(CNC(=O)Nc1ccc(Br)nc1)NCC[NH+]1CCCCCC1 ZINC000814669385 655273487 /nfs/dbraw/zinc/27/34/87/655273487.db2.gz LPBUIWRQRVXFEP-UHFFFAOYSA-N 1 0 398.305 1.958 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000766796947 655276013 /nfs/dbraw/zinc/27/60/13/655276013.db2.gz PPLJBIXZUXXPFE-MRXNPFEDSA-N 1 0 375.535 1.314 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc(F)c1F ZINC000766846838 655278048 /nfs/dbraw/zinc/27/80/48/655278048.db2.gz PUINAONOGNFJQV-UHFFFAOYSA-N 1 0 376.425 1.714 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(C(=O)OC)c(C)cc1F ZINC000815018269 655278786 /nfs/dbraw/zinc/27/87/86/655278786.db2.gz LBHRCXZZHOCDDV-UHFFFAOYSA-N 1 0 376.450 1.167 20 0 GDADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799130882 655285501 /nfs/dbraw/zinc/28/55/01/655285501.db2.gz DZSLKDZNKUMQTL-AWEZNQCLSA-N 1 0 394.269 1.905 20 0 GDADRO C[C@](O)(C[NH+]1CCC(S(N)(=O)=O)CC1)c1ccc(Br)cc1F ZINC000815077564 655285502 /nfs/dbraw/zinc/28/55/02/655285502.db2.gz UFERYIPUNXCJPN-AWEZNQCLSA-N 1 0 395.294 1.549 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1Cl ZINC000767315764 655289382 /nfs/dbraw/zinc/28/93/82/655289382.db2.gz RZCSDHRSXOBWFA-ZIAGYGMSSA-N 1 0 392.930 1.793 20 0 GDADRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000767460844 655294407 /nfs/dbraw/zinc/29/44/07/655294407.db2.gz POEAPXIEDLANCO-UONOGXRCSA-N 1 0 376.519 1.161 20 0 GDADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000799789854 655300922 /nfs/dbraw/zinc/30/09/22/655300922.db2.gz DZYRGWOECGNDLT-AWEZNQCLSA-N 1 0 375.535 1.742 20 0 GDADRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000840891761 655301072 /nfs/dbraw/zinc/30/10/72/655301072.db2.gz CWLSEVLAZWVEDX-UHFFFAOYSA-N 1 0 377.894 1.992 20 0 GDADRO CO[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(F)(F)F ZINC000840897831 655302358 /nfs/dbraw/zinc/30/23/58/655302358.db2.gz GJRVXCHIJSFFPX-JTQLQIEISA-N 1 0 391.209 1.763 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C[C@@H]1[NH+](C)C ZINC000767825149 655306388 /nfs/dbraw/zinc/30/63/88/655306388.db2.gz HBPPNCSDNXYOTB-JKSUJKDBSA-N 1 0 386.539 1.572 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C[C@@H]1[NH+](C)C ZINC000767825140 655306409 /nfs/dbraw/zinc/30/64/09/655306409.db2.gz HBPPNCSDNXYOTB-HOTGVXAUSA-N 1 0 386.539 1.572 20 0 GDADRO CN(CC[NH3+])Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000841100894 655308731 /nfs/dbraw/zinc/30/87/31/655308731.db2.gz NBCDAMVGLXFGRY-UHFFFAOYSA-N 1 0 381.361 1.976 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)[C@@H](C)C[NH2+]1 ZINC000841133749 655309721 /nfs/dbraw/zinc/30/97/21/655309721.db2.gz RHHKXHLKQZMCQH-RYUDHWBXSA-N 1 0 389.905 1.978 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000841163390 655311604 /nfs/dbraw/zinc/31/16/04/655311604.db2.gz WUORWXKFPHYKJZ-JTQLQIEISA-N 1 0 377.242 1.743 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cnc1Br ZINC000841203879 655314026 /nfs/dbraw/zinc/31/40/26/655314026.db2.gz OTTCNZDUKNABMM-UHFFFAOYSA-N 1 0 381.274 1.693 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)CCO1 ZINC000841213231 655314580 /nfs/dbraw/zinc/31/45/80/655314580.db2.gz KPSZSAPJOLADSL-LLVKDONJSA-N 1 0 393.241 1.122 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000841212299 655314615 /nfs/dbraw/zinc/31/46/15/655314615.db2.gz OYHQSUVAPYEYNM-TUAOUCFPSA-N 1 0 381.274 1.677 20 0 GDADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000841214174 655314735 /nfs/dbraw/zinc/31/47/35/655314735.db2.gz FDLROVSNJHUNBW-CQSZACIVSA-N 1 0 387.665 1.648 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841217789 655315142 /nfs/dbraw/zinc/31/51/42/655315142.db2.gz OZDPHYZQDMSRNT-JOYOIKCWSA-N 1 0 398.257 1.273 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(Br)n1 ZINC000841245012 655316857 /nfs/dbraw/zinc/31/68/57/655316857.db2.gz GFVOSHOTOCSDHO-HAQNSBGRSA-N 1 0 383.290 1.972 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000841246978 655317094 /nfs/dbraw/zinc/31/70/94/655317094.db2.gz LBVSGUFYXRBOMI-CYBMUJFWSA-N 1 0 395.301 1.939 20 0 GDADRO Cc1c(Br)nccc1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000841255486 655317688 /nfs/dbraw/zinc/31/76/88/655317688.db2.gz VWLXOSIOFGHKIN-NSHDSACASA-N 1 0 384.278 1.471 20 0 GDADRO COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000841261061 655318060 /nfs/dbraw/zinc/31/80/60/655318060.db2.gz AWCGZUKKQHYUHI-SNVBAGLBSA-N 1 0 381.738 1.461 20 0 GDADRO [NH3+]CC[C@H](NC(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1)C(F)(F)F ZINC000841335777 655319154 /nfs/dbraw/zinc/31/91/54/655319154.db2.gz UMUYHJQWSFRHGE-LOWVWBTDSA-N 1 0 381.420 1.862 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=S)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000768480983 655320190 /nfs/dbraw/zinc/32/01/90/655320190.db2.gz VLRLTMAQMHGDET-GDBMZVCRSA-N 1 0 382.555 1.125 20 0 GDADRO C[C@H](C[S@@](C)=O)[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816567718 655329183 /nfs/dbraw/zinc/32/91/83/655329183.db2.gz KEYFUYUUQDDFMH-FPIQFJIESA-N 1 0 375.535 1.106 20 0 GDADRO C[C@@H](CNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F)C[NH+](C)C ZINC000816833040 655336737 /nfs/dbraw/zinc/33/67/37/655336737.db2.gz VLBRULBSTROJTM-JTQLQIEISA-N 1 0 375.441 1.333 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2sc(Br)nc2C)CC1 ZINC000816869227 655337467 /nfs/dbraw/zinc/33/74/67/655337467.db2.gz KWRBBARPXJOZHN-UHFFFAOYSA-N 1 0 375.336 1.971 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)ccc1Br ZINC000841529336 655338708 /nfs/dbraw/zinc/33/87/08/655338708.db2.gz HVUALHMMNJEWGO-UHFFFAOYSA-N 1 0 393.303 1.854 20 0 GDADRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000841723168 655352688 /nfs/dbraw/zinc/35/26/88/655352688.db2.gz NAHSBQXIOIZGTI-GXFFZTMASA-N 1 0 376.429 1.416 20 0 GDADRO CCCN(C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1CC[NH2+]C1 ZINC000841813887 655354071 /nfs/dbraw/zinc/35/40/71/655354071.db2.gz PPWVNYZSAQRDET-CYBMUJFWSA-N 1 0 382.477 1.034 20 0 GDADRO O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)N[C@@H]1CC[NH2+]C1 ZINC000841867757 655354462 /nfs/dbraw/zinc/35/44/62/655354462.db2.gz XHUSEWYEVLCWBZ-SNVBAGLBSA-N 1 0 381.376 1.020 20 0 GDADRO C[C@](O)(CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000841989215 655355029 /nfs/dbraw/zinc/35/50/29/655355029.db2.gz OUOVKNFAKFIRFC-OCCSQVGLSA-N 1 0 380.436 1.091 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)C[C@H]1C[NH3+] ZINC000842022269 655355485 /nfs/dbraw/zinc/35/54/85/655355485.db2.gz WTYIVXYDACTCTK-TZMCWYRMSA-N 1 0 384.933 1.528 20 0 GDADRO CN(C(=O)C(=O)NCCSCc1ccnc(Cl)c1)C1CCC([NH3+])CC1 ZINC000842021786 655355500 /nfs/dbraw/zinc/35/55/00/655355500.db2.gz WLCBFEDUHUNVDV-UHFFFAOYSA-N 1 0 384.933 1.813 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000842022419 655355522 /nfs/dbraw/zinc/35/55/22/655355522.db2.gz ZGBLSGXMMFKCRW-OCCSQVGLSA-N 1 0 384.933 1.813 20 0 GDADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842050994 655355935 /nfs/dbraw/zinc/35/59/35/655355935.db2.gz OAFNMWNONPKHSE-HONMWMINSA-N 1 0 394.269 1.209 20 0 GDADRO [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000842182506 655357864 /nfs/dbraw/zinc/35/78/64/655357864.db2.gz GRACLBCZDKSMFB-OAGGEKHMSA-N 1 0 379.551 1.300 20 0 GDADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000842201559 655358140 /nfs/dbraw/zinc/35/81/40/655358140.db2.gz WHXPTYTUVACQNM-RYUDHWBXSA-N 1 0 383.436 1.101 20 0 GDADRO Cc1ncc(CCNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000817834542 655360270 /nfs/dbraw/zinc/36/02/70/655360270.db2.gz CBTYEKNHWOQBSU-UHFFFAOYSA-N 1 0 380.539 1.762 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[NH+]2CCCC2)c1 ZINC000842266066 655360727 /nfs/dbraw/zinc/36/07/27/655360727.db2.gz OJEMZFSAOGDZIR-UHFFFAOYSA-N 1 0 389.905 1.090 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)CC[NH3+])c(F)cc1Br ZINC000817860036 655360905 /nfs/dbraw/zinc/36/09/05/655360905.db2.gz SEFPGTMLYDIYKK-UHFFFAOYSA-N 1 0 397.266 1.781 20 0 GDADRO CC1(C)CCC[NH2+][C@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817939005 655362622 /nfs/dbraw/zinc/36/26/22/655362622.db2.gz XJEXTXGWNIBVJK-LBPRGKRZSA-N 1 0 385.452 1.442 20 0 GDADRO C[C@@H](NCCC[NH2+]C1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817983378 655363346 /nfs/dbraw/zinc/36/33/46/655363346.db2.gz BAWRYYXBKNJRBS-CYBMUJFWSA-N 1 0 389.543 1.205 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccc1Br ZINC000842480045 655366780 /nfs/dbraw/zinc/36/67/80/655366780.db2.gz NGWLQTLBKBDTSJ-VHSXEESVSA-N 1 0 391.287 1.641 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000842483891 655367725 /nfs/dbraw/zinc/36/77/25/655367725.db2.gz VQBAYBLPJYVRPH-IAQYHMDHSA-N 1 0 375.516 1.252 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842485178 655368061 /nfs/dbraw/zinc/36/80/61/655368061.db2.gz OXNPWSWXYKSZSV-CQSZACIVSA-N 1 0 375.288 1.974 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000842485223 655368082 /nfs/dbraw/zinc/36/80/82/655368082.db2.gz FPCNIENIXDBBGK-GHMZBOCLSA-N 1 0 379.404 1.793 20 0 GDADRO C[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@@H]1C[NH3+] ZINC000842485759 655368145 /nfs/dbraw/zinc/36/81/45/655368145.db2.gz LXHITZTXYUONDY-IUCAKERBSA-N 1 0 386.948 1.410 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccc3ncc(I)n3c2)C[C@H]1C[NH3+] ZINC000842509315 655368441 /nfs/dbraw/zinc/36/84/41/655368441.db2.gz HZIYVZYBEWESMT-ZYHUDNBSSA-N 1 0 398.248 1.996 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)sc1S(N)(=O)=O ZINC000818183273 655369382 /nfs/dbraw/zinc/36/93/82/655369382.db2.gz UNIRDYJZOMEYBZ-HNNXBMFYSA-N 1 0 391.946 1.915 20 0 GDADRO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842699265 655371807 /nfs/dbraw/zinc/37/18/07/655371807.db2.gz PBFHAKMCBFHCDE-JTQLQIEISA-N 1 0 386.417 1.258 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000842720079 655373374 /nfs/dbraw/zinc/37/33/74/655373374.db2.gz QTUBJDOJVCRJTR-ZJUUUORDSA-N 1 0 386.417 1.338 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000842719834 655373406 /nfs/dbraw/zinc/37/34/06/655373406.db2.gz MMCKITOYTUPPKO-APPZFPTMSA-N 1 0 397.316 1.655 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000842720075 655373409 /nfs/dbraw/zinc/37/34/09/655373409.db2.gz QTUBJDOJVCRJTR-UWVGGRQHSA-N 1 0 386.417 1.338 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NCC2([NH3+])CCC2)c1 ZINC000842758137 655375515 /nfs/dbraw/zinc/37/55/15/655375515.db2.gz FLGHWDMWIFGABC-UHFFFAOYSA-N 1 0 391.287 1.786 20 0 GDADRO O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCC(=O)N1CC[NH2+]CC1 ZINC000818561597 655376376 /nfs/dbraw/zinc/37/63/76/655376376.db2.gz DLMAAVKMKREXGO-DAFODLJHSA-N 1 0 375.778 1.920 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000818563244 655376406 /nfs/dbraw/zinc/37/64/06/655376406.db2.gz GGSDJEAMGNLEML-OLZOCXBDSA-N 1 0 385.917 1.934 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000842780043 655376464 /nfs/dbraw/zinc/37/64/64/655376464.db2.gz YJXKHUCBOVMWKF-UWVGGRQHSA-N 1 0 386.417 1.528 20 0 GDADRO C[C@@H](C[NH3+])CNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842786524 655376881 /nfs/dbraw/zinc/37/68/81/655376881.db2.gz AODARJUOANDHGA-ZETCQYMHSA-N 1 0 381.683 1.623 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(Br)o1 ZINC000842789156 655377122 /nfs/dbraw/zinc/37/71/22/655377122.db2.gz PWGUKJAOAGMBLW-YUMQZZPRSA-N 1 0 381.248 1.187 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC[C@@H]1[NH3+] ZINC000842797818 655377886 /nfs/dbraw/zinc/37/78/86/655377886.db2.gz LQQDVOWSOMSOEJ-MNOVXSKESA-N 1 0 382.454 1.431 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(CCNC(=O)OC)s2)CC[C@@H]1[NH3+] ZINC000842799663 655377985 /nfs/dbraw/zinc/37/79/85/655377985.db2.gz ZBDMSIPZEHAMHI-YPMHNXCESA-N 1 0 375.516 1.395 20 0 GDADRO Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)NC[C@@H](C)[NH3+])cc2)cc1 ZINC000842801774 655378135 /nfs/dbraw/zinc/37/81/35/655378135.db2.gz LQWFZBAJHRADFX-CYBMUJFWSA-N 1 0 384.479 1.388 20 0 GDADRO Cc1[nH]c(=S)sc1CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000818772862 655379669 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CCCCCC[C@H](O)C[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000819088936 655385388 /nfs/dbraw/zinc/38/53/88/655385388.db2.gz YLPJPQCSCKPALF-KRWDZBQOSA-N 1 0 376.563 1.881 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1)C(F)(F)F ZINC000819145294 655386938 /nfs/dbraw/zinc/38/69/38/655386938.db2.gz BGJXCYSURPPQSX-AWEZNQCLSA-N 1 0 384.395 1.633 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000843092025 655388129 /nfs/dbraw/zinc/38/81/29/655388129.db2.gz BQUCMRZTECTECY-CYBMUJFWSA-N 1 0 378.288 1.012 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000843092026 655388140 /nfs/dbraw/zinc/38/81/40/655388140.db2.gz BQUCMRZTECTECY-ZDUSSCGKSA-N 1 0 378.288 1.012 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C[C@H](O)c1cccc(Cl)c1)c1cccs1 ZINC000843096953 655388262 /nfs/dbraw/zinc/38/82/62/655388262.db2.gz HEHYCHFDSHFHHN-KBPBESRZSA-N 1 0 375.899 1.859 20 0 GDADRO Cn1cc(C[C@@H](CO)C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cn1 ZINC000843110814 655388635 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NGRIVMBYHWLKEV-ZDUSSCGKSA-N 1 0 393.285 1.768 20 0 GDADRO O=C(NCCC1SCCS1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826661430 655499811 /nfs/dbraw/zinc/49/98/11/655499811.db2.gz BJHDRYZVGPESCM-OAHLLOKOSA-N 1 0 379.551 1.690 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1csc(I)n1 ZINC000826868321 655502233 /nfs/dbraw/zinc/50/22/33/655502233.db2.gz QNRZYAZIHDPPBI-VIFPVBQESA-N 1 0 377.251 1.962 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]1(C)CC1(Br)Br ZINC000827236752 655508135 /nfs/dbraw/zinc/50/81/35/655508135.db2.gz FOWJACAVDSQKNJ-KOLCDFICSA-N 1 0 383.128 1.245 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c(cc3Br)NC(=O)CO4)CC[C@@H]21 ZINC000827287796 655508751 /nfs/dbraw/zinc/50/87/51/655508751.db2.gz LPLUIUONHUSHTB-HZMBPMFUSA-N 1 0 394.269 1.946 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCC1SCCS1 ZINC000827319461 655509032 /nfs/dbraw/zinc/50/90/32/655509032.db2.gz DAQGSLRJKSJYDB-OAHLLOKOSA-N 1 0 381.567 1.588 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)CC[C@H]21 ZINC000827328624 655509143 /nfs/dbraw/zinc/50/91/43/655509143.db2.gz FEHJXPJPFKASLW-GHMZBOCLSA-N 1 0 377.919 1.232 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CC[C@@H]21 ZINC000827374119 655510099 /nfs/dbraw/zinc/51/00/99/655510099.db2.gz MEENZSPYACAIKN-HIFRSBDPSA-N 1 0 380.286 1.732 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827440244 655511233 /nfs/dbraw/zinc/51/12/33/655511233.db2.gz QLNOZNHGOMOLFQ-UHFFFAOYSA-N 1 0 397.317 1.710 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000827500396 655512371 /nfs/dbraw/zinc/51/23/71/655512371.db2.gz ABVPAPTVXUXSLI-LBPRGKRZSA-N 1 0 397.155 1.636 20 0 GDADRO [NH2+]=C(NCCS(=O)(=O)CC1CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000849096384 655517318 /nfs/dbraw/zinc/51/73/18/655517318.db2.gz YDHVTKVTDFCLML-UHFFFAOYSA-N 1 0 384.933 1.811 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000849114703 655517438 /nfs/dbraw/zinc/51/74/38/655517438.db2.gz RIHGDFCVNXUFKJ-LLVKDONJSA-N 1 0 382.408 1.527 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=[NH2+])N1CCOCC1 ZINC000849116198 655517460 /nfs/dbraw/zinc/51/74/60/655517460.db2.gz HQVGECPNCTXTCS-GFCCVEGCSA-N 1 0 386.290 1.465 20 0 GDADRO COC[C@@H](C)NC(=[NH2+])NC[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000849116222 655517499 /nfs/dbraw/zinc/51/74/99/655517499.db2.gz HWJCTOHRFKZNJD-NEPJUHHUSA-N 1 0 388.306 1.758 20 0 GDADRO C[NH+](C)CCn1cc(CN2C(=O)COc3ccc(Br)cc32)nn1 ZINC000849137606 655517566 /nfs/dbraw/zinc/51/75/66/655517566.db2.gz QTZXNCSTYKPVRY-UHFFFAOYSA-N 1 0 380.246 1.528 20 0 GDADRO Cn1nc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1Br ZINC000828166750 655519697 /nfs/dbraw/zinc/51/96/97/655519697.db2.gz BXEYRIMDKBYHBX-CQSZACIVSA-N 1 0 393.285 1.679 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000849428875 655533545 /nfs/dbraw/zinc/53/35/45/655533545.db2.gz FRXZXAFCQXMJKO-UHFFFAOYSA-N 1 0 387.933 1.631 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cnc(Br)s2)cn1 ZINC000849589794 655542465 /nfs/dbraw/zinc/54/24/65/655542465.db2.gz ZQNZQDKQDXZXJQ-OLZOCXBDSA-N 1 0 398.330 1.991 20 0 GDADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1 ZINC000850446214 655555315 /nfs/dbraw/zinc/55/53/15/655555315.db2.gz PMYZPRGXCXOBOU-UHFFFAOYSA-N 1 0 375.437 1.952 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000850518998 655557092 /nfs/dbraw/zinc/55/70/92/655557092.db2.gz KIFCWURWEXPCGA-JTQLQIEISA-N 1 0 388.433 1.686 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CCO1 ZINC000850712074 655566391 /nfs/dbraw/zinc/56/63/91/655566391.db2.gz VHBNBEYQWPDXMD-XOKHGSTOSA-N 1 0 377.888 1.377 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2ccc(Br)nc2)CC1 ZINC000850730153 655566790 /nfs/dbraw/zinc/56/67/90/655566790.db2.gz PSNZESSZMNAZAT-UHFFFAOYSA-N 1 0 398.305 1.956 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2ccnc(Br)c2)CC1 ZINC000850746315 655567597 /nfs/dbraw/zinc/56/75/97/655567597.db2.gz HHARBZPMLHUQQB-UHFFFAOYSA-N 1 0 398.305 1.956 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1 ZINC000850823192 655568878 /nfs/dbraw/zinc/56/88/78/655568878.db2.gz DHNUYLOITCAXMS-DTWKUNHWSA-N 1 0 382.877 1.331 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)n1 ZINC000850853256 655570228 /nfs/dbraw/zinc/57/02/28/655570228.db2.gz CBWKTOBTYWCIHN-UHFFFAOYSA-N 1 0 380.861 1.004 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)N1CCC(O)(c2scnc2Br)CC1 ZINC000851670066 655590205 /nfs/dbraw/zinc/59/02/05/655590205.db2.gz BEEPKEPWUQWMSV-VIFPVBQESA-N 1 0 375.292 1.261 20 0 GDADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NCCC2SCCS2)CC1 ZINC000851691428 655590647 /nfs/dbraw/zinc/59/06/47/655590647.db2.gz IHYWTWLAWVGGNK-DZGCQCFKSA-N 1 0 387.571 1.044 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000851820915 655597050 /nfs/dbraw/zinc/59/70/50/655597050.db2.gz KNLWANNCRJXRLX-CQSZACIVSA-N 1 0 375.535 1.790 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000851862155 655600679 /nfs/dbraw/zinc/60/06/79/655600679.db2.gz WFZPAHSDEOUVAS-HUUCEWRRSA-N 1 0 375.406 1.750 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000852045750 655606606 /nfs/dbraw/zinc/60/66/06/655606606.db2.gz MQXRXLCINFWZTB-BTFPBAQTSA-N 1 0 376.519 1.422 20 0 GDADRO C[N@@H+](CCn1cnc(Br)n1)CCn1cc(Br)cn1 ZINC000852055469 655606769 /nfs/dbraw/zinc/60/67/69/655606769.db2.gz UVEMWLSAPDZWQF-UHFFFAOYSA-N 1 0 378.072 1.632 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)N2CCn3ncc(Br)c3C2)CC1(C)C ZINC000852308172 655611904 /nfs/dbraw/zinc/61/19/04/655611904.db2.gz XRXNMNVRZYGACJ-UHFFFAOYSA-N 1 0 399.337 1.197 20 0 GDADRO O=C(N1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)Cc2ccccc21)C(F)(F)F ZINC000852452281 655614339 /nfs/dbraw/zinc/61/43/39/655614339.db2.gz UUWPVUYDHAXIEI-DGCLKSJQSA-N 1 0 376.400 1.531 20 0 GDADRO O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000852459129 655615272 /nfs/dbraw/zinc/61/52/72/655615272.db2.gz QUUNWSLHQPDZBW-YSDYUQAISA-N 1 0 381.464 1.956 20 0 GDADRO O=C([C@H]1[NH2+]CC12CCCC2)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000852787926 655622619 /nfs/dbraw/zinc/62/26/19/655622619.db2.gz YOBQXTCCSSBMJU-OAHLLOKOSA-N 1 0 383.539 1.550 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)c1cnn(-c2ccccc2)c1I ZINC000852795513 655622664 /nfs/dbraw/zinc/62/26/64/655622664.db2.gz XNFSFYZOWSXEJW-JTQLQIEISA-N 1 0 384.221 1.944 20 0 GDADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc2c1OCCO2 ZINC000852832374 655623814 /nfs/dbraw/zinc/62/38/14/655623814.db2.gz LLVJJVZNTVVELB-LLVKDONJSA-N 1 0 377.185 1.947 20 0 GDADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1-n1cnnn1 ZINC000852832121 655623838 /nfs/dbraw/zinc/62/38/38/655623838.db2.gz FNATURAWTDWYNW-LLVKDONJSA-N 1 0 387.188 1.152 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1cc2c(s1)CC[NH2+]C2 ZINC000852837128 655623979 /nfs/dbraw/zinc/62/39/79/655623979.db2.gz QJCOIDMKNMQICY-JTQLQIEISA-N 1 0 375.416 1.925 20 0 GDADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852853471 655624110 /nfs/dbraw/zinc/62/41/10/655624110.db2.gz GOVCGBUVZAFKPQ-OCCSQVGLSA-N 1 0 388.251 1.687 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000852859484 655624289 /nfs/dbraw/zinc/62/42/89/655624289.db2.gz VFQBASSOGVLFKZ-UHFFFAOYSA-N 1 0 385.917 1.980 20 0 GDADRO O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCC12CC(C1)C[NH2+]2 ZINC000852866713 655624639 /nfs/dbraw/zinc/62/46/39/655624639.db2.gz KRIKHIONYUMYKV-UHFFFAOYSA-N 1 0 376.507 1.797 20 0 GDADRO C[NH+](C)C[C@H](OC(=O)C(C)(C)NS(C)(=O)=O)c1cc(F)c(F)c(F)c1 ZINC000853211909 655636717 /nfs/dbraw/zinc/63/67/17/655636717.db2.gz GSOCUIIYNIENJY-LBPRGKRZSA-N 1 0 382.404 1.578 20 0 GDADRO C[C@@H](CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[NH+](C)C ZINC000853721450 655648418 /nfs/dbraw/zinc/64/84/18/655648418.db2.gz DQNKPZPDVZKORQ-NSHDSACASA-N 1 0 388.456 1.187 20 0 GDADRO C[NH+](C)CCCNC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000854145413 655657497 /nfs/dbraw/zinc/65/74/97/655657497.db2.gz XLXFJDGMOHFNDI-VWLOTQADSA-N 1 0 375.535 1.203 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(C(F)(F)Br)nc1 ZINC000854353724 655663754 /nfs/dbraw/zinc/66/37/54/655663754.db2.gz DLOSIPSRVWJOPU-GFCCVEGCSA-N 1 0 389.244 1.646 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1c(Br)nc2n1CCCC2 ZINC000854353854 655663846 /nfs/dbraw/zinc/66/38/46/655663846.db2.gz HTHKSHZJTIVXQQ-GFCCVEGCSA-N 1 0 382.306 1.102 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1csc(I)n1 ZINC000854743952 655675794 /nfs/dbraw/zinc/67/57/94/655675794.db2.gz RHEBTEVWWDLXNU-VIFPVBQESA-N 1 0 395.266 1.324 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000854465676 655667379 /nfs/dbraw/zinc/66/73/79/655667379.db2.gz SVJOLIHHFMYEEI-CYBMUJFWSA-N 1 0 375.535 1.158 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(Br)nn2C)CC1=O ZINC000854588837 655670486 /nfs/dbraw/zinc/67/04/86/655670486.db2.gz OMSISTUPDDZOAE-RYUDHWBXSA-N 1 0 398.305 1.454 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855695374 655699626 /nfs/dbraw/zinc/69/96/26/655699626.db2.gz LLEOFCAAFNIKCE-OAHLLOKOSA-N 1 0 376.284 1.505 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000856747917 655716699 /nfs/dbraw/zinc/71/66/99/655716699.db2.gz QFGYCXPSVHGVAD-CQSZACIVSA-N 1 0 375.535 1.647 20 0 GDADRO COCC[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000857048296 655726450 /nfs/dbraw/zinc/72/64/50/655726450.db2.gz VLXFURMFPAVLRB-UHFFFAOYSA-N 1 0 387.278 1.016 20 0 GDADRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)ccc1S(=O)(=O)C(F)F ZINC000857084537 655727465 /nfs/dbraw/zinc/72/74/65/655727465.db2.gz UXGGWTBXZJYIPL-GXFFZTMASA-N 1 0 376.425 1.963 20 0 GDADRO C[NH+](C)C1CC(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C1 ZINC000857231973 655731574 /nfs/dbraw/zinc/73/15/74/655731574.db2.gz WNDVVLFYEUPEJI-UHFFFAOYSA-N 1 0 380.495 1.121 20 0 GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000857257879 655732542 /nfs/dbraw/zinc/73/25/42/655732542.db2.gz FENWICIWTXBNBI-NWDGAFQWSA-N 1 0 383.290 1.875 20 0 GDADRO CN(OCC(F)(F)F)C(=O)CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000857426343 655737242 /nfs/dbraw/zinc/73/72/42/655737242.db2.gz SASBUZFKBDLUGS-LBPRGKRZSA-N 1 0 383.436 1.272 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)cc1Cl ZINC000858614269 655750440 /nfs/dbraw/zinc/75/04/40/655750440.db2.gz HXJYQAPHKWOIBT-SNVBAGLBSA-N 1 0 377.850 1.257 20 0 GDADRO CCN(CC[NH3+])S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000858619227 655750744 /nfs/dbraw/zinc/75/07/44/655750744.db2.gz MLPSEIZJTMEHRI-UHFFFAOYSA-N 1 0 383.239 1.344 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc3c2COC3=O)CC[C@H]1C(F)(F)F ZINC000858623226 655751065 /nfs/dbraw/zinc/75/10/65/655751065.db2.gz GEJFEYRDDDABRS-JOYOIKCWSA-N 1 0 378.372 1.505 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(Br)o1 ZINC000858631320 655751392 /nfs/dbraw/zinc/75/13/92/655751392.db2.gz CDHAJEHZBGCZKW-JGVFFNPUSA-N 1 0 381.248 1.248 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)s1 ZINC000858636263 655751655 /nfs/dbraw/zinc/75/16/55/655751655.db2.gz IMDXFYRGEZLDQK-IYBDPMFKSA-N 1 0 387.527 1.267 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])c(Br)c1 ZINC000858642157 655751900 /nfs/dbraw/zinc/75/19/00/655751900.db2.gz XVXCRTLBNQBIJO-SECBINFHSA-N 1 0 379.276 1.594 20 0 GDADRO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000859172056 655767378 /nfs/dbraw/zinc/76/73/78/655767378.db2.gz LTMPENUJOGEONZ-AWEZNQCLSA-N 1 0 375.535 1.505 20 0 GDADRO O=C1OC[C@H]2C[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000860159770 655795968 /nfs/dbraw/zinc/79/59/68/655795968.db2.gz PIMMJSLWYCGPPX-YUSALJHKSA-N 1 0 390.661 1.947 20 0 GDADRO CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@@]1(C)Br)[C@H]1CCS(=O)(=O)C1 ZINC000860424317 655800258 /nfs/dbraw/zinc/80/02/58/655800258.db2.gz FGELVNLAKVNTPQ-KCQAQPDRSA-N 1 0 395.363 1.517 20 0 GDADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000861358062 655820148 /nfs/dbraw/zinc/82/01/48/655820148.db2.gz VCKIYJJZZMBEKW-BMIGLBTASA-N 1 0 388.262 1.442 20 0 GDADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cnn(C)c2I)C1 ZINC000861352092 655820250 /nfs/dbraw/zinc/82/02/50/655820250.db2.gz GKHYIHPXPCCOQE-TVQRCGJNSA-N 1 0 393.225 1.291 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000861516851 655824304 /nfs/dbraw/zinc/82/43/04/655824304.db2.gz UNXJIUARINGNPA-WDEREUQCSA-N 1 0 398.257 1.416 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])C2=O)ccc1Br ZINC000861617783 655827020 /nfs/dbraw/zinc/82/70/20/655827020.db2.gz NDRSWYXSWLWCDA-SMDDNHRTSA-N 1 0 383.290 1.851 20 0 GDADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861720361 655829151 /nfs/dbraw/zinc/82/91/51/655829151.db2.gz YIBTUAMOZQXYCZ-NEPJUHHUSA-N 1 0 390.228 1.807 20 0 GDADRO CC(C)(C)n1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(Br)n1 ZINC000861717113 655829164 /nfs/dbraw/zinc/82/91/64/655829164.db2.gz XXAZJZCJVKSTRO-RYUDHWBXSA-N 1 0 385.306 1.682 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000861763331 655830217 /nfs/dbraw/zinc/83/02/17/655830217.db2.gz VTZKCUVJSVEKBH-CIUDSAMLSA-N 1 0 377.329 1.818 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000861813626 655831352 /nfs/dbraw/zinc/83/13/52/655831352.db2.gz UBZGOWUQJODXRR-NILFDRSVSA-N 1 0 396.285 1.216 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000862031169 655836921 /nfs/dbraw/zinc/83/69/21/655836921.db2.gz CGVVHRSOUAATFE-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1c(Br)nc2n1CCOC2 ZINC000863028426 655860365 /nfs/dbraw/zinc/86/03/65/655860365.db2.gz LIYILGXXZOUCRD-GFCCVEGCSA-N 1 0 383.290 1.923 20 0 GDADRO C[NH2+]C1(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CCC1 ZINC000863923272 655883715 /nfs/dbraw/zinc/88/37/15/655883715.db2.gz MLKXKBXGKNGVDN-UHFFFAOYSA-N 1 0 385.917 1.996 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000864063376 655888703 /nfs/dbraw/zinc/88/87/03/655888703.db2.gz JUNFOXSEXBSKJO-ZJUUUORDSA-N 1 0 376.242 1.483 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000864608692 655903269 /nfs/dbraw/zinc/90/32/69/655903269.db2.gz LJIXNEBIBBLGIA-UHFFFAOYSA-N 1 0 380.290 1.416 20 0 GDADRO Cn1nc(I)cc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000864893538 655907997 /nfs/dbraw/zinc/90/79/97/655907997.db2.gz DXIBBMGQRKBXTN-UHFFFAOYSA-N 1 0 376.242 1.629 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(I)nn1C ZINC000864987691 655909639 /nfs/dbraw/zinc/90/96/39/655909639.db2.gz MYMMNEPHMIGOIP-WDEREUQCSA-N 1 0 390.269 1.875 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cn2ccnc12 ZINC000865172391 655913711 /nfs/dbraw/zinc/91/37/11/655913711.db2.gz UMQRLMVQYOAWRG-ZDUSSCGKSA-N 1 0 381.274 1.937 20 0 GDADRO O=C(c1cc(Br)cn2ccnc12)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000865198959 655914604 /nfs/dbraw/zinc/91/46/04/655914604.db2.gz NXPOBZNLOQMTKG-GJZGRUSLSA-N 1 0 393.285 1.768 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCc1ccc(S(=O)(=O)NC)cc1 ZINC000865267653 655915920 /nfs/dbraw/zinc/91/59/20/655915920.db2.gz JOSYYPWXXISKPM-OAHLLOKOSA-N 1 0 384.571 1.086 20 0 GDADRO O=c1[nH]ccc2oc(C[NH2+]CC3CCN(S(=O)(=O)C(F)F)CC3)cc21 ZINC000865461135 655920297 /nfs/dbraw/zinc/92/02/97/655920297.db2.gz XATMVQIIBCQWGA-UHFFFAOYSA-N 1 0 375.397 1.887 20 0 GDADRO C[C@H](CNc1ccc(Br)cc1S(N)(=O)=O)N1CC[NH+](C)CC1 ZINC000865501657 655920856 /nfs/dbraw/zinc/92/08/56/655920856.db2.gz ASZZYAIDWYUXIQ-LLVKDONJSA-N 1 0 391.335 1.144 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H]1CCN(S(C)(=O)=O)C1)CC(F)(F)F ZINC000865618265 655922980 /nfs/dbraw/zinc/92/29/80/655922980.db2.gz WFHCMDNQQOZVJA-WDEREUQCSA-N 1 0 389.440 1.456 20 0 GDADRO C[C@H]1CN(c2ccc(CO)c(Br)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000865649232 655923578 /nfs/dbraw/zinc/92/35/78/655923578.db2.gz PJPNXBWCIIHLBU-ZFWWWQNUSA-N 1 0 383.334 1.799 20 0 GDADRO O=S(=O)([C@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1)N1CCOCC1 ZINC000865665558 655923918 /nfs/dbraw/zinc/92/39/18/655923918.db2.gz YMOBAIVUWLXJIK-LBPRGKRZSA-N 1 0 379.404 1.731 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1Br ZINC000865697403 655924367 /nfs/dbraw/zinc/92/43/67/655924367.db2.gz XDRXBHINGHQABM-GLRJYAJPSA-N 1 0 387.299 1.610 20 0 GDADRO Cn1nc(Br)cc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000865747689 655925720 /nfs/dbraw/zinc/92/57/20/655925720.db2.gz PQGQZWGQSCJVNK-RYUDHWBXSA-N 1 0 389.294 1.643 20 0 GDADRO COc1ccc(Br)c(C[NH2+]C[C@]23COCCN2C(=O)COC3)c1 ZINC000865796839 655927091 /nfs/dbraw/zinc/92/70/91/655927091.db2.gz APMFSTFGEDBCNT-MRXNPFEDSA-N 1 0 385.258 1.175 20 0 GDADRO CC(C)(C[NH2+]Cc1ccccc1I)CS(N)(=O)=O ZINC000865814384 655927539 /nfs/dbraw/zinc/92/75/39/655927539.db2.gz FBBUUTQNTYETOJ-UHFFFAOYSA-N 1 0 382.267 1.696 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)c(=O)n(C)c1=O ZINC000865834975 655928007 /nfs/dbraw/zinc/92/80/07/655928007.db2.gz UXDOKYLIBRKEBV-RRFJBIMHSA-N 1 0 376.254 1.274 20 0 GDADRO CSc1nc2ncnc(NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)c2s1 ZINC000865887471 655929189 /nfs/dbraw/zinc/92/91/89/655929189.db2.gz WRIQZEYFEHADGB-NSHDSACASA-N 1 0 378.527 1.915 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Br)no1 ZINC000865971546 655931623 /nfs/dbraw/zinc/93/16/23/655931623.db2.gz GYXRYAFCDURWEH-CYBMUJFWSA-N 1 0 380.242 1.934 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000866352746 655938177 /nfs/dbraw/zinc/93/81/77/655938177.db2.gz LQOHUIIWTCEADG-UHFFFAOYSA-N 1 0 394.317 1.853 20 0 GDADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC ZINC000866485476 655946443 /nfs/dbraw/zinc/94/64/43/655946443.db2.gz RTASVILNXMUONJ-LLVKDONJSA-N 1 0 376.450 1.630 20 0 GDADRO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(F)c(Br)c1 ZINC000866554015 655949183 /nfs/dbraw/zinc/94/91/83/655949183.db2.gz FTJISUDVKYFANJ-BZNIZROVSA-N 1 0 387.249 1.867 20 0 GDADRO O=C1COC[C@@]2(C[NH2+][C@@H]3CCc4ccc(Br)cc43)COCCN12 ZINC000866553775 655949207 /nfs/dbraw/zinc/94/92/07/655949207.db2.gz NURMFWJHHGZSAM-NVXWUHKLSA-N 1 0 381.270 1.654 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000866733790 655957352 /nfs/dbraw/zinc/95/73/52/655957352.db2.gz DDWSYQSEQOLRPW-NSHDSACASA-N 1 0 379.404 1.808 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000866738988 655957754 /nfs/dbraw/zinc/95/77/54/655957754.db2.gz VEDMBTUTODAMKZ-WDEREUQCSA-N 1 0 379.404 1.854 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000866740698 655957925 /nfs/dbraw/zinc/95/79/25/655957925.db2.gz UOOZYMZZFLVEDX-MFKMUULPSA-N 1 0 377.304 1.957 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)nc2F)C1 ZINC000866775449 655961942 /nfs/dbraw/zinc/96/19/42/655961942.db2.gz DWQAEWLVQCGPIX-IJLUTSLNSA-N 1 0 377.869 1.924 20 0 GDADRO C[C@@]1(CS(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1(Cl)Cl ZINC000866780428 655962730 /nfs/dbraw/zinc/96/27/30/655962730.db2.gz CSZWAFGWHLEWDI-KBPBESRZSA-N 1 0 385.357 1.991 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2cc3nc(Cl)ncc3s2)CCOCC1 ZINC000866787388 655963620 /nfs/dbraw/zinc/96/36/20/655963620.db2.gz BPJLFCSAMCVXEP-UHFFFAOYSA-N 1 0 390.918 1.734 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc(F)c1F ZINC000866796823 655964711 /nfs/dbraw/zinc/96/47/11/655964711.db2.gz LBSHPVXFXLZXGI-JTQLQIEISA-N 1 0 376.425 1.808 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)c1OC ZINC000866813653 655966393 /nfs/dbraw/zinc/96/63/93/655966393.db2.gz XWJIIGNDVRWLFP-JTQLQIEISA-N 1 0 390.889 1.802 20 0 GDADRO COC[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000866820194 655966921 /nfs/dbraw/zinc/96/69/21/655966921.db2.gz QADPFFZZUISYGY-KGLIPLIRSA-N 1 0 393.303 1.044 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1F ZINC000866827226 655967560 /nfs/dbraw/zinc/96/75/60/655967560.db2.gz JKQPNIIWFUCFPR-GJZGRUSLSA-N 1 0 391.490 1.102 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1Br ZINC000866971955 655983231 /nfs/dbraw/zinc/98/32/31/655983231.db2.gz KNNPGMPZOWEYMI-WDEREUQCSA-N 1 0 377.308 1.287 20 0 GDADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)nc1F ZINC000866982365 655983900 /nfs/dbraw/zinc/98/39/00/655983900.db2.gz ORGJGFPPLYNCPJ-STQMWFEESA-N 1 0 391.896 1.920 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000867002897 655986075 /nfs/dbraw/zinc/98/60/75/655986075.db2.gz BORKEYLMOAZGED-CQSZACIVSA-N 1 0 379.320 1.490 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000867078781 655993904 /nfs/dbraw/zinc/99/39/04/655993904.db2.gz QGRQMOZQKYPHLC-GYCJOSAFSA-N 1 0 389.543 1.095 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000867116910 655997677 /nfs/dbraw/zinc/99/76/77/655997677.db2.gz HKFVONGKLYWPPB-OAHLLOKOSA-N 1 0 375.535 1.646 20 0 GDADRO C[NH+](C)CC1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000867323277 656038021 /nfs/dbraw/zinc/03/80/21/656038021.db2.gz BJDCYSPNKURJAU-UHFFFAOYSA-N 1 0 386.417 1.162 20 0 GDADRO CON([C@@H](C)c1csc(C)n1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000867335111 656040785 /nfs/dbraw/zinc/04/07/85/656040785.db2.gz LBTJDWWCYNVKGY-ZDUSSCGKSA-N 1 0 376.548 1.343 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000867391310 656051304 /nfs/dbraw/zinc/05/13/04/656051304.db2.gz GPPJBLNRLAAMKU-UHFFFAOYSA-N 1 0 397.317 1.651 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000867428999 656059349 /nfs/dbraw/zinc/05/93/49/656059349.db2.gz SYPIMAGNDFFVOB-CQSZACIVSA-N 1 0 381.274 1.157 20 0 GDADRO COc1cc(C)c([S@@](C)=O)cc1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867431062 656059918 /nfs/dbraw/zinc/05/99/18/656059918.db2.gz YYTTVMOSWONQCN-HSZRJFAPSA-N 1 0 375.512 1.936 20 0 GDADRO O=C(NCCSCCC(F)(F)F)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000867444288 656061772 /nfs/dbraw/zinc/06/17/72/656061772.db2.gz WBRRQLHDBYHXIN-CYBMUJFWSA-N 1 0 381.464 1.875 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867451359 656063510 /nfs/dbraw/zinc/06/35/10/656063510.db2.gz VPVYDHLZZTVEIO-SECBINFHSA-N 1 0 381.285 1.129 20 0 GDADRO Cn1cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(Br)n1 ZINC000867487699 656069532 /nfs/dbraw/zinc/06/95/32/656069532.db2.gz QJYIWYSCQQSOBL-WDEREUQCSA-N 1 0 377.308 1.478 20 0 GDADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000867528219 656077702 /nfs/dbraw/zinc/07/77/02/656077702.db2.gz NGCXCGGHLWHSGA-NSHDSACASA-N 1 0 379.404 1.950 20 0 GDADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000867534516 656079581 /nfs/dbraw/zinc/07/95/81/656079581.db2.gz TVRRPOWIIXPONY-LBPRGKRZSA-N 1 0 385.873 1.701 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1Br ZINC000867541178 656081010 /nfs/dbraw/zinc/08/10/10/656081010.db2.gz ZDQZQBHLPHGLOE-LBPRGKRZSA-N 1 0 391.335 1.583 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCSC[C@H]3c3nccs3)CC[C@H]21 ZINC000867589863 656089541 /nfs/dbraw/zinc/08/95/41/656089541.db2.gz MOMCTUWNXZGVNL-MCIONIFRSA-N 1 0 380.539 1.312 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000867652481 656099338 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O=S1(=O)CCC(O)(C[NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000872237975 656320935 /nfs/dbraw/zinc/32/09/35/656320935.db2.gz CGFFRCFZJRPGPK-QLFBSQMISA-N 1 0 386.311 1.617 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000872247642 656321415 /nfs/dbraw/zinc/32/14/15/656321415.db2.gz NKTXLEUPJQXWBU-SJLPKXTDSA-N 1 0 383.897 1.970 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCCC(=O)N4)C[C@@H]2C1 ZINC000872479731 656338550 /nfs/dbraw/zinc/33/85/50/656338550.db2.gz PFIPTYOXBCHOQT-BETUJISGSA-N 1 0 383.901 1.797 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872530733 656350363 /nfs/dbraw/zinc/35/03/63/656350363.db2.gz VXHDUAAKUVOUFK-UHFFFAOYSA-N 1 0 387.527 1.959 20 0 GDADRO O=S(=O)(Cc1ccc(Br)cc1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872617080 656366386 /nfs/dbraw/zinc/36/63/86/656366386.db2.gz JCGYDZJZWDETGV-LSDHHAIUSA-N 1 0 389.315 1.420 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)n1C ZINC000873075018 656385214 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NC(=O)[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000877488687 656677089 /nfs/dbraw/zinc/67/70/89/656677089.db2.gz NBXFZVFFEMVHMI-ZDUSSCGKSA-N 1 0 375.288 1.390 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000877561111 656680427 /nfs/dbraw/zinc/68/04/27/656680427.db2.gz CHWPSEBMQNIALR-AJNGGQMLSA-N 1 0 375.535 1.692 20 0 GDADRO COCC[N@H+]1[C@H](C)CN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@@H]1C ZINC000877606407 656683333 /nfs/dbraw/zinc/68/33/33/656683333.db2.gz ZXSZJSFMDUZFSF-BETUJISGSA-N 1 0 375.922 1.528 20 0 GDADRO C[NH+](C)C[C@H]1NC(=O)N(Cc2c(F)c(F)c(Br)c(F)c2F)C1=O ZINC000924952836 656687895 /nfs/dbraw/zinc/68/78/95/656687895.db2.gz WKQGUURYDMMWNV-ZCFIWIBFSA-N 1 0 398.154 1.988 20 0 GDADRO CN1CC[NH+](C2CCN(Cc3ccc(Cl)c(S(N)(=O)=O)c3)CC2)CC1 ZINC000877746451 656690432 /nfs/dbraw/zinc/69/04/32/656690432.db2.gz QREZCXLDXBMIPE-UHFFFAOYSA-N 1 0 386.949 1.199 20 0 GDADRO C[NH+](C)C[C@H]1NC(=O)N(Cc2ccn(-c3ccc(Br)cc3)n2)C1=O ZINC000925128521 656695161 /nfs/dbraw/zinc/69/51/61/656695161.db2.gz KJEHVQODGVLBDB-CQSZACIVSA-N 1 0 392.257 1.617 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCCN(CC(F)(F)F)CC1 ZINC000925145872 656695707 /nfs/dbraw/zinc/69/57/07/656695707.db2.gz VPGRLBRBJGYGCZ-KBPBESRZSA-N 1 0 380.480 1.846 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000925153950 656696102 /nfs/dbraw/zinc/69/61/02/656696102.db2.gz GFIJBFPXYIJNNY-MCIONIFRSA-N 1 0 381.464 1.911 20 0 GDADRO C[NH+](C)C[C@H]1NC(=O)N(Cc2noc(-c3cccc(Br)c3)n2)C1=O ZINC000925394528 656709841 /nfs/dbraw/zinc/70/98/41/656709841.db2.gz YRRRZVTWRVTMHB-LLVKDONJSA-N 1 0 394.229 1.481 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CC[N@H+]3C)CC2)c(C)s1 ZINC000925406753 656709884 /nfs/dbraw/zinc/70/98/84/656709884.db2.gz VBGCEFSYULCUPO-AWEZNQCLSA-N 1 0 386.543 1.085 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925431968 656711922 /nfs/dbraw/zinc/71/19/22/656711922.db2.gz PMDIWXXBHLAOTH-ZFWWWQNUSA-N 1 0 384.318 1.912 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000878213724 656712289 /nfs/dbraw/zinc/71/22/89/656712289.db2.gz JDNPQSUTAPRKPU-NSHDSACASA-N 1 0 380.250 1.181 20 0 GDADRO Cn1nnnc1CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000878231879 656713587 /nfs/dbraw/zinc/71/35/87/656713587.db2.gz JHFHOYOXYXREHM-UHFFFAOYSA-N 1 0 393.289 1.866 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)NC[C@H](C)C[NH+]2CCCC2)cs1)C(N)=O ZINC000878314356 656718219 /nfs/dbraw/zinc/71/82/19/656718219.db2.gz UBDOUOJQMBKAJV-JSGCOSHPSA-N 1 0 384.571 1.890 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cs1)C(N)=O ZINC000878330283 656719178 /nfs/dbraw/zinc/71/91/78/656719178.db2.gz ZQYFSUTVBODOFA-GXTWGEPZSA-N 1 0 382.555 1.738 20 0 GDADRO Cc1nc(CN2CCC(O)(C[NH+]3CCOCC3)CC2)sc1Br ZINC000878338374 656719661 /nfs/dbraw/zinc/71/96/61/656719661.db2.gz RBEUVEYXTKQHKQ-UHFFFAOYSA-N 1 0 390.347 1.873 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCS(=O)(=O)C(C)(C)C)cc1 ZINC000878357317 656721191 /nfs/dbraw/zinc/72/11/91/656721191.db2.gz ADCCMBBIDLHDSM-ZDUSSCGKSA-N 1 0 376.544 1.849 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC000878389802 656722224 /nfs/dbraw/zinc/72/22/24/656722224.db2.gz VDGCDGAVOYIYMB-AGIUHOORSA-N 1 0 384.571 1.888 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2ccccc2I)C1 ZINC000925895965 656725248 /nfs/dbraw/zinc/72/52/48/656725248.db2.gz FHIARNUMFFXCEF-ZDUSSCGKSA-N 1 0 375.210 1.609 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)NCCN1CCC([NH3+])CC1 ZINC000926079228 656734018 /nfs/dbraw/zinc/73/40/18/656734018.db2.gz QRGOQYLRMMMBTR-UHFFFAOYSA-N 1 0 399.289 1.780 20 0 GDADRO O=C(Nc1cccc(F)c1I)N1CCNCC[NH2+]CC1 ZINC000926080252 656734118 /nfs/dbraw/zinc/73/41/18/656734118.db2.gz SSVQDWBUKCCOIE-UHFFFAOYSA-N 1 0 392.216 1.457 20 0 GDADRO COC(=O)c1cc(NC(=O)N2CCNCC[NH2+]CC2)ccc1Br ZINC000926083983 656734599 /nfs/dbraw/zinc/73/45/99/656734599.db2.gz JBLIAEXZXYHMTB-UHFFFAOYSA-N 1 0 385.262 1.262 20 0 GDADRO Cc1cc(I)cc(NC(=O)N2CCC[C@]([NH3+])(CO)C2)c1 ZINC000926116762 656737032 /nfs/dbraw/zinc/73/70/32/656737032.db2.gz MZFITSLIMXPTQM-CQSZACIVSA-N 1 0 389.237 1.917 20 0 GDADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000878622646 656737883 /nfs/dbraw/zinc/73/78/83/656737883.db2.gz QXBBUKQZAQJHMZ-RDJZCZTQSA-N 1 0 376.563 1.425 20 0 GDADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926306749 656746899 /nfs/dbraw/zinc/74/68/99/656746899.db2.gz HJASYNZWLUGFSI-DIFFPNOSSA-N 1 0 388.295 1.825 20 0 GDADRO COC(=O)c1cn(CC[NH2+][C@H]2CCCc3ncc(Br)cc32)nn1 ZINC000926380904 656750943 /nfs/dbraw/zinc/75/09/43/656750943.db2.gz DVBVMYZHPKHMNL-LBPRGKRZSA-N 1 0 380.246 1.889 20 0 GDADRO C[NH+](C)C1(CNC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC1 ZINC000878838680 656752563 /nfs/dbraw/zinc/75/25/63/656752563.db2.gz WJZTYROOHVINFO-UHFFFAOYSA-N 1 0 389.905 1.979 20 0 GDADRO CN(C[C@H](O)c1ccccc1Br)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926414763 656753008 /nfs/dbraw/zinc/75/30/08/656753008.db2.gz KCOPMIAXHRXWNV-DOMZBBRYSA-N 1 0 398.301 1.138 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926412491 656753082 /nfs/dbraw/zinc/75/30/82/656753082.db2.gz PPHCNVZLSRTGMW-WCQYABFASA-N 1 0 398.276 1.615 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cs1)C(N)=O ZINC000878859879 656753767 /nfs/dbraw/zinc/75/37/67/656753767.db2.gz UGPIRWKMVLWYMZ-GXTWGEPZSA-N 1 0 384.571 1.842 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)C1CCN(S(C)(=O)=O)CC1 ZINC000926501465 656758915 /nfs/dbraw/zinc/75/89/15/656758915.db2.gz ZXBARZGLNJFZOA-UKRRQHHQSA-N 1 0 386.539 1.207 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cs1)C(N)=O ZINC000878927276 656759863 /nfs/dbraw/zinc/75/98/63/656759863.db2.gz VKRKTPOLAISYBK-CHWSQXEVSA-N 1 0 382.555 1.596 20 0 GDADRO CC[C@@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000926513075 656760272 /nfs/dbraw/zinc/76/02/72/656760272.db2.gz JBACOHRBTPUDBE-ZFWWWQNUSA-N 1 0 377.551 1.939 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000879017832 656767915 /nfs/dbraw/zinc/76/79/15/656767915.db2.gz LGNXVNGSHNDIKH-UKRRQHHQSA-N 1 0 385.555 1.530 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000879090955 656773078 /nfs/dbraw/zinc/77/30/78/656773078.db2.gz CPVQPEJVYZGULX-UMVBOHGHSA-N 1 0 385.555 1.577 20 0 GDADRO CN(C(=O)Cc1c(Br)cnn1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000879167458 656778650 /nfs/dbraw/zinc/77/86/50/656778650.db2.gz JEIHOAHAPFMHFY-AWEZNQCLSA-N 1 0 398.349 1.352 20 0 GDADRO Cc1nccc(NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1Br ZINC000879315320 656787198 /nfs/dbraw/zinc/78/71/98/656787198.db2.gz CWWBOGOYIPNBTO-UHFFFAOYSA-N 1 0 396.333 1.818 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2c(Br)cnn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000879343301 656788652 /nfs/dbraw/zinc/78/86/52/656788652.db2.gz OXTMKGBUSJWUMP-HIFRSBDPSA-N 1 0 398.349 1.210 20 0 GDADRO C[NH+](C)C[C@@H]1NC(=O)N(c2ccc(Cl)c(I)c2)C1=O ZINC000927251961 656801996 /nfs/dbraw/zinc/80/19/96/656801996.db2.gz AXUSSMDCPJITFH-JTQLQIEISA-N 1 0 393.612 1.931 20 0 GDADRO C[NH+](C)C[C@H]1NC(=O)N(c2ccc(Cl)c(I)c2)C1=O ZINC000927251962 656802060 /nfs/dbraw/zinc/80/20/60/656802060.db2.gz AXUSSMDCPJITFH-SNVBAGLBSA-N 1 0 393.612 1.931 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000879559597 656805795 /nfs/dbraw/zinc/80/57/95/656805795.db2.gz PDRBXNDQZNWIAR-KBPBESRZSA-N 1 0 383.539 1.560 20 0 GDADRO Cc1cnc(Br)c(NC(=O)NCC[N@@H+](C)CCOCCO)c1 ZINC000879618709 656808854 /nfs/dbraw/zinc/80/88/54/656808854.db2.gz BAPODGKWKRWFIV-UHFFFAOYSA-N 1 0 375.267 1.215 20 0 GDADRO CCN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@@H](C)CS(=O)(=O)CC ZINC000927641809 656823576 /nfs/dbraw/zinc/82/35/76/656823576.db2.gz LPGYBCHNYABXCE-GOEBONIOSA-N 1 0 375.535 1.094 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cs1)C(N)=O ZINC000879780626 656829113 /nfs/dbraw/zinc/82/91/13/656829113.db2.gz ZDEVMZRARWNAAW-GFCCVEGCSA-N 1 0 384.571 1.890 20 0 GDADRO C[C@H](Sc1nc(CC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cs1)C(N)=O ZINC000879818518 656832413 /nfs/dbraw/zinc/83/24/13/656832413.db2.gz HIQNPCDQXMANMY-WCQYABFASA-N 1 0 384.571 1.888 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(I)c(Cl)c2)C1 ZINC000927793910 656838341 /nfs/dbraw/zinc/83/83/41/656838341.db2.gz IHXLHNPOFPCPTH-ZETCQYMHSA-N 1 0 393.612 1.443 20 0 GDADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)ccc1Br ZINC000927811505 656841296 /nfs/dbraw/zinc/84/12/96/656841296.db2.gz JHRNJMNXZAZMFD-ZWNOBZJWSA-N 1 0 384.274 1.899 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000927814583 656841694 /nfs/dbraw/zinc/84/16/94/656841694.db2.gz GBFLFUPMMVIYLY-ZJUUUORDSA-N 1 0 398.257 1.146 20 0 GDADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC[C@H]1C(F)(F)F ZINC000927847288 656844984 /nfs/dbraw/zinc/84/49/84/656844984.db2.gz VCIKJENGEHTWGP-RITPCOANSA-N 1 0 390.309 1.839 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C[C@H]1[NH3+] ZINC000927853743 656845311 /nfs/dbraw/zinc/84/53/11/656845311.db2.gz REQPRECNTVXKGP-GFCCVEGCSA-N 1 0 384.249 1.673 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C[C@@H]1[NH3+] ZINC000927853744 656845395 /nfs/dbraw/zinc/84/53/95/656845395.db2.gz REQPRECNTVXKGP-LBPRGKRZSA-N 1 0 384.249 1.673 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2ccccc2I)C[C@@H]1[NH3+] ZINC000927856053 656846234 /nfs/dbraw/zinc/84/62/34/656846234.db2.gz AOELKFSCDCELKO-NSHDSACASA-N 1 0 387.221 1.425 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cs1)C(N)=O ZINC000879947234 656847214 /nfs/dbraw/zinc/84/72/14/656847214.db2.gz QJHJCGZZZHLOER-BKQLOGFTSA-N 1 0 382.555 1.735 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000927883827 656850138 /nfs/dbraw/zinc/85/01/38/656850138.db2.gz VNBVIJUTWNQYEW-HNNXBMFYSA-N 1 0 388.237 1.147 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000927904941 656852390 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ZINC000881273381 656925697 /nfs/dbraw/zinc/92/56/97/656925697.db2.gz IEWRCRBAGHWWAJ-UHFFFAOYSA-N 1 0 383.246 1.996 20 0 GDADRO [NH3+]Cc1cnn(Cc2cn(C[C@H](O)c3ccccc3Br)nn2)c1 ZINC000881419498 656935463 /nfs/dbraw/zinc/93/54/63/656935463.db2.gz OJJYAELHCZUUMB-HNNXBMFYSA-N 1 0 377.246 1.478 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000928943067 656943199 /nfs/dbraw/zinc/94/31/99/656943199.db2.gz TZDCZTFZGACUNB-OAHLLOKOSA-N 1 0 396.333 1.786 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000881789776 656959437 /nfs/dbraw/zinc/95/94/37/656959437.db2.gz CXHWOPMVENGHEI-CCHLGUQTSA-N 1 0 386.543 1.451 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCc3ccccc3Br)C[C@]2(C)C1 ZINC000929329368 656960440 /nfs/dbraw/zinc/96/04/40/656960440.db2.gz FOQRBJUWZOWQNV-DYVFJYSZSA-N 1 0 380.286 1.475 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000929457933 656967631 /nfs/dbraw/zinc/96/76/31/656967631.db2.gz MHHZBRJDURABMI-UHFFFAOYSA-N 1 0 392.301 1.712 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCc2nc3c(s2)CCCC3)CCSC1 ZINC000929465393 656968706 /nfs/dbraw/zinc/96/87/06/656968706.db2.gz QFJBBZXXHFKXPX-KRWDZBQOSA-N 1 0 382.555 1.192 20 0 GDADRO C[NH+]1CCN(CCNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000929581537 656973679 /nfs/dbraw/zinc/97/36/79/656973679.db2.gz KMDOIOQRSPYYNQ-AWEZNQCLSA-N 1 0 395.301 1.239 20 0 GDADRO CC(C)(C)C[N@H+](CCCO)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929593937 656974093 /nfs/dbraw/zinc/97/40/93/656974093.db2.gz XZUHHOUGAXIZBY-HNNXBMFYSA-N 1 0 378.579 1.718 20 0 GDADRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)N=[S@@](C)(=O)N(C)C)c1ccccc1 ZINC000881859851 656974387 /nfs/dbraw/zinc/97/43/87/656974387.db2.gz FIPGMALFTWMVLC-JCQPUDPBSA-N 1 0 376.548 1.525 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(=O)n(C)cc2Br)C[C@H](C)O1 ZINC000929630635 656976792 /nfs/dbraw/zinc/97/67/92/656976792.db2.gz JZYDLNVSOGDGKD-TXEJJXNPSA-N 1 0 386.290 1.377 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)CC[C@H]3CC3(Cl)Cl)CC2)C1 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C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cscc2Br)C[C@@H]1C[NH3+] ZINC000883640505 657303270 /nfs/dbraw/zinc/30/32/70/657303270.db2.gz RJHBPRZSTRMEDY-MNOVXSKESA-N 1 0 388.331 1.912 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)CCCO1 ZINC000883650255 657304251 /nfs/dbraw/zinc/30/42/51/657304251.db2.gz XAYHADYCAAYGLD-QWRGUYRKSA-N 1 0 377.354 1.345 20 0 GDADRO C[C@@H](NC(=O)Nc1cnn(C)c1I)C1=CC[N@H+](C)CC1 ZINC000933734266 657306208 /nfs/dbraw/zinc/30/62/08/657306208.db2.gz BKUHRUFHIRMPNZ-SECBINFHSA-N 1 0 389.241 1.797 20 0 GDADRO O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883770756 657311312 /nfs/dbraw/zinc/31/13/12/657311312.db2.gz ZZNQHVSXBWCMSE-YMXBGEKHSA-N 1 0 385.452 1.240 20 0 GDADRO CCCN(C(=O)Nc1cnn(C)c1I)[C@H]1CC[N@H+](C)C1 ZINC000933743284 657316717 /nfs/dbraw/zinc/31/67/17/657316717.db2.gz YGNWENPQIYPSAW-JTQLQIEISA-N 1 0 391.257 1.973 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884087974 657323739 /nfs/dbraw/zinc/32/37/39/657323739.db2.gz TYHCWETWTZLKKN-CYBMUJFWSA-N 1 0 392.319 1.237 20 0 GDADRO COCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000884112681 657326574 /nfs/dbraw/zinc/32/65/74/657326574.db2.gz UEVXVXWTWYFQQH-CQSZACIVSA-N 1 0 384.274 1.097 20 0 GDADRO COCC[C@@H]([NH3+])C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000884132540 657328512 /nfs/dbraw/zinc/32/85/12/657328512.db2.gz SILBPPYJVUHAJR-CQSZACIVSA-N 1 0 386.290 1.278 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000884144672 657329776 /nfs/dbraw/zinc/32/97/76/657329776.db2.gz QECSTZHLRSFXOQ-UONOGXRCSA-N 1 0 376.931 1.719 20 0 GDADRO CCC1N=NC(=S)N1CCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884154680 657330877 /nfs/dbraw/zinc/33/08/77/657330877.db2.gz LZLFLECBWGXARE-LBPRGKRZSA-N 1 0 384.303 1.708 20 0 GDADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]([NH3+])CCOC ZINC000884173356 657332502 /nfs/dbraw/zinc/33/25/02/657332502.db2.gz SWBXNYRXIIKIKX-KBPBESRZSA-N 1 0 377.268 1.948 20 0 GDADRO C[NH2+]CCOc1cccc(C(=O)Nc2cc(Br)c(=O)n(C)c2)c1 ZINC000884172582 657332545 /nfs/dbraw/zinc/33/25/45/657332545.db2.gz YOYGBNLLTNLQNT-UHFFFAOYSA-N 1 0 380.242 1.998 20 0 GDADRO Cn1cc(N2CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)CC2)cn1 ZINC000884221063 657335728 /nfs/dbraw/zinc/33/57/28/657335728.db2.gz IQCDTRBNXYDKIX-OAHLLOKOSA-N 1 0 378.274 1.531 20 0 GDADRO Cc1nc(CN2CCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)CC2)no1 ZINC000884217347 657335863 /nfs/dbraw/zinc/33/58/63/657335863.db2.gz LVOBYWFMAUKXOW-HNNXBMFYSA-N 1 0 394.273 1.485 20 0 GDADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000884293946 657343520 /nfs/dbraw/zinc/34/35/20/657343520.db2.gz OUZWZGRITZJJBF-UGFHNGPFSA-N 1 0 379.254 1.741 20 0 GDADRO COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884316224 657344866 /nfs/dbraw/zinc/34/48/66/657344866.db2.gz MPEKAPARXZKWOH-LRDDRELGSA-N 1 0 398.301 1.545 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCC(Cn2cncn2)CC1)c1ccc(Br)cc1 ZINC000884323572 657346031 /nfs/dbraw/zinc/34/60/31/657346031.db2.gz SLIRORKLWPUPBS-OAHLLOKOSA-N 1 0 378.274 1.979 20 0 GDADRO [NH3+][C@H](C(=O)N1CCC(Cn2ccnn2)CC1)c1ccc(Br)cc1 ZINC000884329032 657347008 /nfs/dbraw/zinc/34/70/08/657347008.db2.gz DWYXVHZVTLLMSU-HNNXBMFYSA-N 1 0 378.274 1.979 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N[C@H]2CC[NH2+]C23CCCC3)cs1)C(N)=O ZINC000884376334 657351447 /nfs/dbraw/zinc/35/14/47/657351447.db2.gz FICYXWBQZHSTDQ-STQMWFEESA-N 1 0 382.555 1.833 20 0 GDADRO C[NH2+]Cc1ccccc1CNC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000884384193 657351764 /nfs/dbraw/zinc/35/17/64/657351764.db2.gz GVDMMUIOOSXIJS-LLVKDONJSA-N 1 0 378.523 1.687 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000884428851 657355982 /nfs/dbraw/zinc/35/59/82/657355982.db2.gz PHHMYCBSNXIQNA-HIFRSBDPSA-N 1 0 384.571 1.686 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1c(Br)cnn1C1CC1 ZINC000934368514 657357045 /nfs/dbraw/zinc/35/70/45/657357045.db2.gz GNBLBZHQMPXHDJ-JTQLQIEISA-N 1 0 399.293 1.564 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884500619 657361395 /nfs/dbraw/zinc/36/13/95/657361395.db2.gz LFOMAWWBBKMANT-LLVKDONJSA-N 1 0 390.228 1.426 20 0 GDADRO CCN(C(=O)C(=O)NC[C@H](C)Oc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000884621767 657367968 /nfs/dbraw/zinc/36/79/68/657367968.db2.gz SAPYHNJNQQPKNR-QWHCGFSZSA-N 1 0 398.301 1.543 20 0 GDADRO CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884644526 657368751 /nfs/dbraw/zinc/36/87/51/657368751.db2.gz RWGCLKGOCIYOEF-AAEUAGOBSA-N 1 0 382.555 1.667 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884652809 657368937 /nfs/dbraw/zinc/36/89/37/657368937.db2.gz HDCURZDCORSGFQ-YHPBZONMSA-N 1 0 386.315 1.774 20 0 GDADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000934748017 657373219 /nfs/dbraw/zinc/37/32/19/657373219.db2.gz VDIYVDFDFARDLZ-SSOJOUAXSA-N 1 0 375.579 1.719 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000884716213 657374791 /nfs/dbraw/zinc/37/47/91/657374791.db2.gz RCHDMVINEUDGOV-HUUCEWRRSA-N 1 0 398.301 1.511 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C[NH2+]1 ZINC000884819505 657381109 /nfs/dbraw/zinc/38/11/09/657381109.db2.gz GZQVVGDTSVZYJQ-VHSXEESVSA-N 1 0 375.803 1.814 20 0 GDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCc2cc(Br)c(F)cc2C1 ZINC000884928147 657387530 /nfs/dbraw/zinc/38/75/30/657387530.db2.gz UWIDLHAMJDGJSU-INIZCTEOSA-N 1 0 382.277 1.863 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000884957672 657390571 /nfs/dbraw/zinc/39/05/71/657390571.db2.gz UTKATGCNGGVWIH-NWDGAFQWSA-N 1 0 392.930 1.649 20 0 GDADRO C[S@](=O)(=NS(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000884959965 657390939 /nfs/dbraw/zinc/39/09/39/657390939.db2.gz QPUAZTGPLONELB-VQNPYFGKSA-N 1 0 375.491 1.744 20 0 GDADRO CCN(C(=O)C(=O)NCc1c(Cl)cccc1OC(F)F)[C@H]1CC[NH2+]C1 ZINC000884991208 657398034 /nfs/dbraw/zinc/39/80/34/657398034.db2.gz SDZBFUYVMWALJY-JTQLQIEISA-N 1 0 375.803 1.768 20 0 GDADRO COC[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])c1cccc(Br)c1 ZINC000885028114 657409177 /nfs/dbraw/zinc/40/91/77/657409177.db2.gz UQGLHFDRXYAMGH-ZDUSSCGKSA-N 1 0 386.290 1.496 20 0 GDADRO CN(C(=O)C(=O)NCc1ncc(Br)s1)C1(C[NH3+])CCCCC1 ZINC000885032287 657411112 /nfs/dbraw/zinc/41/11/12/657411112.db2.gz VRYCNACFWCLRSL-UHFFFAOYSA-N 1 0 389.319 1.642 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(-n3cccn3)cc2)C[C@@H]1[NH+](C)C ZINC000885078261 657417129 /nfs/dbraw/zinc/41/71/29/657417129.db2.gz FUGIBOBZTRBOQS-DLBZAZTESA-N 1 0 380.539 1.680 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCc1sccc1Br ZINC000885209908 657428813 /nfs/dbraw/zinc/42/88/13/657428813.db2.gz FJEWHBFNPKIVNS-LLVKDONJSA-N 1 0 388.331 1.770 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCc2sccc2Br)CC1 ZINC000885210638 657429239 /nfs/dbraw/zinc/42/92/39/657429239.db2.gz WUHNBIYYSCDEJV-JTQLQIEISA-N 1 0 388.331 1.755 20 0 GDADRO O=C(NCCc1sccc1Br)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000885210816 657429677 /nfs/dbraw/zinc/42/96/77/657429677.db2.gz ZRBLDBVMKBUMMX-RYUDHWBXSA-N 1 0 386.315 1.522 20 0 GDADRO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)nn1-c1ccccc1Br ZINC000935399254 657429606 /nfs/dbraw/zinc/42/96/06/657429606.db2.gz HSANYWZWSKEKDN-KRWDZBQOSA-N 1 0 393.285 1.740 20 0 GDADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(=O)n(C)cc1Br ZINC000935532683 657445007 /nfs/dbraw/zinc/44/50/07/657445007.db2.gz OOUSDIXNRXKGOU-LLVKDONJSA-N 1 0 386.290 1.065 20 0 GDADRO COC(=O)c1ccc(CNC(=O)COC2CC[NH+](C)CC2)c(Br)c1 ZINC000935568347 657448732 /nfs/dbraw/zinc/44/87/32/657448732.db2.gz IZLWTAMAYPIHRZ-UHFFFAOYSA-N 1 0 399.285 1.963 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)s1 ZINC000956873162 657569400 /nfs/dbraw/zinc/56/94/00/657569400.db2.gz QVNQXHSSVRNJRV-RBSFLKMASA-N 1 0 385.555 1.809 20 0 GDADRO Cn1ccn2c(CC[NH2+]Cc3ncc(Br)cc3Cl)nnc2c1=O ZINC000886282496 657635031 /nfs/dbraw/zinc/63/50/31/657635031.db2.gz LCMQDJJVQINQAL-UHFFFAOYSA-N 1 0 397.664 1.571 20 0 GDADRO COc1c(Br)cccc1C[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886321060 657643249 /nfs/dbraw/zinc/64/32/49/657643249.db2.gz QWHWICUNKCSQHN-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO CSC[C@H](O)CN1CC[N@H+](C[C@@H](O)CSC)[C@@H](Cc2ccccc2)C1 ZINC000886384440 657648403 /nfs/dbraw/zinc/64/84/03/657648403.db2.gz ROKBTWYVKHSZGK-IPMKNSEASA-N 1 0 384.611 1.663 20 0 GDADRO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886693483 657681245 /nfs/dbraw/zinc/68/12/45/657681245.db2.gz BSZWLNYOBNDCBU-OAHLLOKOSA-N 1 0 375.560 1.662 20 0 GDADRO OCCOCC1(O)CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000886753185 657692060 /nfs/dbraw/zinc/69/20/60/657692060.db2.gz DLSCVMRAKIYMTK-HNNXBMFYSA-N 1 0 394.295 1.569 20 0 GDADRO O=C(NC1(c2ncc(Br)cn2)CCC1)C1C[NH+](C2CCOCC2)C1 ZINC000886841926 657707531 /nfs/dbraw/zinc/70/75/31/657707531.db2.gz AHVYIKMIWBJBDL-UHFFFAOYSA-N 1 0 395.301 1.845 20 0 GDADRO COC(=O)N[C@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000886854705 657710702 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CCN(C(=O)C(=O)Nc1cc2c(cc1Br)OCCO2)[C@H]1CC[NH2+]C1 ZINC000886990761 657731636 /nfs/dbraw/zinc/73/16/36/657731636.db2.gz UAEACOIBBMYOAC-JTQLQIEISA-N 1 0 398.257 1.369 20 0 GDADRO CCN(C(=O)C(=O)Nc1cnc(Cl)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000887004308 657735307 /nfs/dbraw/zinc/73/53/07/657735307.db2.gz LBXKLVQNXXPXNK-VIFPVBQESA-N 1 0 375.654 1.646 20 0 GDADRO CCN(C(=O)C(=O)Nc1cnc(Cl)c(Br)c1C)[C@H]1CC[NH2+]C1 ZINC000887004129 657735351 /nfs/dbraw/zinc/73/53/51/657735351.db2.gz IJOWDCVKWUXMIC-VIFPVBQESA-N 1 0 389.681 1.955 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000887032575 657740620 /nfs/dbraw/zinc/74/06/20/657740620.db2.gz FDMKFOFNRFZYMN-QMMMGPOBSA-N 1 0 375.759 1.368 20 0 GDADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887040965 657742050 /nfs/dbraw/zinc/74/20/50/657742050.db2.gz OQPWMHFRMYQUHI-INIZCTEOSA-N 1 0 381.274 1.775 20 0 GDADRO COc1cc(Br)c(NC(=O)NCC[N@H+](C)CCO)cc1OC ZINC000887260253 657771687 /nfs/dbraw/zinc/77/16/87/657771687.db2.gz 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C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCc1ncc(Cl)s1 ZINC000898170950 658918908 /nfs/dbraw/zinc/91/89/08/658918908.db2.gz KBMNAQUWTZGGPO-NSHDSACASA-N 1 0 379.873 1.545 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)CC1 ZINC000898291393 658922960 /nfs/dbraw/zinc/92/29/60/658922960.db2.gz FZSFYVFPLUFUCD-UHFFFAOYSA-N 1 0 387.527 1.104 20 0 GDADRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)C1 ZINC000898355507 658928416 /nfs/dbraw/zinc/92/84/16/658928416.db2.gz BBTKABAYHMAADY-SMDDNHRTSA-N 1 0 397.273 1.636 20 0 GDADRO Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898372389 658929138 /nfs/dbraw/zinc/92/91/38/658929138.db2.gz QQPIRDKPAFUVSG-QMMMGPOBSA-N 1 0 376.770 1.956 20 0 GDADRO CN(C)[S@@](C)(=O)=NCC1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000899719049 659053256 /nfs/dbraw/zinc/05/32/56/659053256.db2.gz OFQOYRMBBGAYAF-VWLOTQADSA-N 1 0 391.651 1.735 20 0 GDADRO O=C(c1ccc(Br)[nH]c1=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000899925568 659067535 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CS(C)(=O)=NS(=O)(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000903096280 659294898 /nfs/dbraw/zinc/29/48/98/659294898.db2.gz WZIJRMJLCKKMPD-UHFFFAOYSA-N 1 0 375.516 1.936 20 0 GDADRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)N=S(=O)(CC)CC)c2)CC1 ZINC000903120006 659295436 /nfs/dbraw/zinc/29/54/36/659295436.db2.gz VBYVOEOXAPHKAW-UHFFFAOYSA-N 1 0 388.559 1.993 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CCC1 ZINC000903189229 659300074 /nfs/dbraw/zinc/30/00/74/659300074.db2.gz SZAWFPFQQPCARJ-KBPBESRZSA-N 1 0 380.576 1.572 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000903230415 659308910 /nfs/dbraw/zinc/30/89/10/659308910.db2.gz BJAHHAPIDVZRAF-OIISXLGYSA-N 1 0 388.555 1.689 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(I)s2)C1 ZINC000903491298 659317785 /nfs/dbraw/zinc/31/77/85/659317785.db2.gz DDZGCKHCJOWNKC-HTQZYQBOSA-N 1 0 386.280 1.901 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903503074 659319424 /nfs/dbraw/zinc/31/94/24/659319424.db2.gz CTDLODNYTYPZLR-DTWKUNHWSA-N 1 0 398.291 1.725 20 0 GDADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903512787 659322008 /nfs/dbraw/zinc/32/20/08/659322008.db2.gz HYRAFKMMJMVURM-JTQLQIEISA-N 1 0 377.260 1.301 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903518581 659326132 /nfs/dbraw/zinc/32/61/32/659326132.db2.gz VPVWEBVSTYKEFK-MNOVXSKESA-N 1 0 391.287 1.867 20 0 GDADRO COCC[NH2+]CCNS(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000903518774 659326242 /nfs/dbraw/zinc/32/62/42/659326242.db2.gz RJFKJAYLWQWSPD-UHFFFAOYSA-N 1 0 385.255 1.111 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)C[C@H]1C[NH3+] ZINC000903521858 659328257 /nfs/dbraw/zinc/32/82/57/659328257.db2.gz FTDAJMNZTUXLSO-DGCLKSJQSA-N 1 0 395.294 1.714 20 0 GDADRO [NH3+]CCCOCCNS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903525590 659329498 /nfs/dbraw/zinc/32/94/98/659329498.db2.gz WSMNXYWUKOYIIB-UHFFFAOYSA-N 1 0 385.711 1.887 20 0 GDADRO Cc1cc(Br)sc1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903537997 659332885 /nfs/dbraw/zinc/33/28/85/659332885.db2.gz JZXAQZIQYABZMB-UHFFFAOYSA-N 1 0 383.333 1.947 20 0 GDADRO COCCN(C(C)=O)c1nc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cs1 ZINC000903541195 659333695 /nfs/dbraw/zinc/33/36/95/659333695.db2.gz SZHBEBGEEPUOAE-QWHCGFSZSA-N 1 0 380.436 1.854 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903542476 659334712 /nfs/dbraw/zinc/33/47/12/659334712.db2.gz IYKWFGQBJFCBRI-UHFFFAOYSA-N 1 0 376.862 1.255 20 0 GDADRO COc1ncc(S(=O)(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1Cl ZINC000903544407 659335223 /nfs/dbraw/zinc/33/52/23/659335223.db2.gz QBNIGPNEPXTQNH-LLVKDONJSA-N 1 0 375.878 1.181 20 0 GDADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903544962 659335851 /nfs/dbraw/zinc/33/58/51/659335851.db2.gz PTRCWZZMYYFEIB-CQSZACIVSA-N 1 0 386.901 1.980 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903563784 659342234 /nfs/dbraw/zinc/34/22/34/659342234.db2.gz HLWMCVNHQRZORO-KGYLQXTDSA-N 1 0 387.889 1.222 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000903565801 659342868 /nfs/dbraw/zinc/34/28/68/659342868.db2.gz QTTUTVKDCARTSA-UHFFFAOYSA-N 1 0 396.738 1.804 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCCC[NH2+]2)cc1)C(F)(F)F ZINC000903567081 659343961 /nfs/dbraw/zinc/34/39/61/659343961.db2.gz WAGLNTDFBVRQRZ-GFCCVEGCSA-N 1 0 379.404 1.998 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903570621 659344772 /nfs/dbraw/zinc/34/47/72/659344772.db2.gz TWXOEQYWUOWKSV-NXEZZACHSA-N 1 0 386.779 1.637 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@H]1C(F)(F)F ZINC000903572224 659345104 /nfs/dbraw/zinc/34/51/04/659345104.db2.gz JCQWUNIROLGLSS-RKDXNWHRSA-N 1 0 393.309 1.533 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@H]2C[NH2+]C)c1OC ZINC000903573778 659346001 /nfs/dbraw/zinc/34/60/01/659346001.db2.gz JELAQEKPDRJIGW-LBPRGKRZSA-N 1 0 389.905 1.471 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(Br)cn2)CC[C@@H]1C(F)(F)F ZINC000903578088 659348987 /nfs/dbraw/zinc/34/89/87/659348987.db2.gz BJBBIPUVEDZICY-IUCAKERBSA-N 1 0 388.209 1.744 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnn(C3CCOCC3)c2)CC[C@H]1C(F)(F)F ZINC000903578359 659349596 /nfs/dbraw/zinc/34/95/96/659349596.db2.gz GLTWMMYVMFFLEO-OLZOCXBDSA-N 1 0 382.408 1.135 20 0 GDADRO COC(=O)c1ccc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903581738 659352273 /nfs/dbraw/zinc/35/22/73/659352273.db2.gz WGUVATSEUDYUED-STQMWFEESA-N 1 0 380.388 1.515 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000903584543 659353660 /nfs/dbraw/zinc/35/36/60/659353660.db2.gz NUYXVHSDMZKSAV-LBPRGKRZSA-N 1 0 379.404 1.337 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000903587674 659355030 /nfs/dbraw/zinc/35/50/30/659355030.db2.gz ZZOGMRLBPVRIAS-CQSZACIVSA-N 1 0 387.571 1.811 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1Cl ZINC000903587746 659355042 /nfs/dbraw/zinc/35/50/42/659355042.db2.gz AVYANDXYIJCHNP-BONVTDFDSA-N 1 0 375.853 1.939 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])c(Cl)s1 ZINC000903588409 659355478 /nfs/dbraw/zinc/35/54/78/659355478.db2.gz GNMZAWNIYQPFLY-PELKAZGASA-N 1 0 384.932 1.307 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])ccc1Cl ZINC000903590421 659356368 /nfs/dbraw/zinc/35/63/68/659356368.db2.gz WEDUDNCOLPMLHI-HZMBPMFUSA-N 1 0 378.903 1.245 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c1)C(F)(F)F ZINC000903592277 659356685 /nfs/dbraw/zinc/35/66/85/659356685.db2.gz LMBXHOHVHNCWFX-CQSZACIVSA-N 1 0 377.388 1.704 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1CCC[C@]12CC[NH2+]C2 ZINC000903592622 659356834 /nfs/dbraw/zinc/35/68/34/659356834.db2.gz OZPKLPITULZLSI-LLVKDONJSA-N 1 0 398.291 1.869 20 0 GDADRO O=C1NCCN(CC2CC[NH2+]CC2)[C@@H]1c1ccc(I)cc1 ZINC000903707568 659376751 /nfs/dbraw/zinc/37/67/51/659376751.db2.gz CMGQVNROIRDYBR-OAHLLOKOSA-N 1 0 399.276 1.764 20 0 GDADRO [NH3+]CCCOC1CCN(CCS(=O)(=O)c2nc3ccccc3s2)CC1 ZINC000903717147 659377778 /nfs/dbraw/zinc/37/77/78/659377778.db2.gz HTADQJFMCAUJBG-UHFFFAOYSA-N 1 0 383.539 1.900 20 0 GDADRO CCS[C@@H]1CCCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903741068 659378458 /nfs/dbraw/zinc/37/84/58/659378458.db2.gz ACVVZJYXZOHCCR-UPJWGTAASA-N 1 0 381.464 1.859 20 0 GDADRO CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903758983 659379107 /nfs/dbraw/zinc/37/91/07/659379107.db2.gz MANJLBQTHCCQJE-UMSGYPCISA-N 1 0 381.464 1.857 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)CC1 ZINC000903801361 659381558 /nfs/dbraw/zinc/38/15/58/659381558.db2.gz NQBDMCUSHSOUAY-HNNXBMFYSA-N 1 0 395.301 1.705 20 0 GDADRO C[NH+]1CCC(OCC(=O)Nc2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000903819748 659382122 /nfs/dbraw/zinc/38/21/22/659382122.db2.gz NVUUEDBJVDJCAB-UHFFFAOYSA-N 1 0 398.257 1.829 20 0 GDADRO CCOc1cccc(C[NH2+]CC[C@H]2CNCCS2(=O)=O)c1OC(F)F ZINC000903968275 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CN(Cc1cscc1Br)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905013355 659417193 /nfs/dbraw/zinc/41/71/93/659417193.db2.gz RMPQXOJAMNPILZ-HNNXBMFYSA-N 1 0 386.315 1.824 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccccc2Br)C1)C1(O)CCOCC1 ZINC000905102170 659423988 /nfs/dbraw/zinc/42/39/88/659423988.db2.gz BALBECJYLHSHOF-CZUORRHYSA-N 1 0 385.302 1.520 20 0 GDADRO CN(C)C(=O)CCN1CCC([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905105201 659424549 /nfs/dbraw/zinc/42/45/49/659424549.db2.gz JNIQLXSKMSLGKP-ZDUSSCGKSA-N 1 0 375.382 1.467 20 0 GDADRO CN(CC[NH2+]C[C@H](O)CC1(CO)CCCC1)S(=O)(=O)c1cccs1 ZINC000905176046 659429765 /nfs/dbraw/zinc/42/97/65/659429765.db2.gz JVYHITRWBNZPLR-CQSZACIVSA-N 1 0 376.544 1.262 20 0 GDADRO CCn1c(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)nc2cc(Br)ccc21 ZINC000905230915 659434919 /nfs/dbraw/zinc/43/49/19/659434919.db2.gz ORGPHSHQGPFOSZ-GUYCJALGSA-N 1 0 398.301 1.811 20 0 GDADRO O[C@H](C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1)C[C@@]1(O)CCOC1 ZINC000905235617 659435332 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O=S(=O)(CC1CC[NH2+]CC1)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000905343211 659444493 /nfs/dbraw/zinc/44/44/93/659444493.db2.gz MOCBHWRKIZTTRV-UHFFFAOYSA-N 1 0 375.897 1.931 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000905350468 659445394 /nfs/dbraw/zinc/44/53/94/659445394.db2.gz DOXCOVCFLSXZLW-SNVBAGLBSA-N 1 0 380.333 2.000 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000905356088 659446612 /nfs/dbraw/zinc/44/66/12/659446612.db2.gz LFJKQUKYYFUJFU-LBPRGKRZSA-N 1 0 380.436 1.838 20 0 GDADRO OC[C@H](C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1)Cc1ccc(Br)cc1 ZINC000905365270 659447879 /nfs/dbraw/zinc/44/78/79/659447879.db2.gz IOEJNNMWOXDAGU-UAGQMJEPSA-N 1 0 388.302 1.092 20 0 GDADRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000905531617 659462439 /nfs/dbraw/zinc/46/24/39/659462439.db2.gz HVFKUMINQGKABX-LBPRGKRZSA-N 1 0 377.750 1.988 20 0 GDADRO CS(=O)(=O)CCNC(=S)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000905546684 659463478 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375.922 1.908 20 0 GDADRO NC(=O)[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cccc(Br)c1 ZINC000905859518 659488373 /nfs/dbraw/zinc/48/83/73/659488373.db2.gz QHPHAAIFFVQCNP-AWEZNQCLSA-N 1 0 383.286 1.887 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1I)C[NH+]1CCCC1 ZINC000906319346 659531451 /nfs/dbraw/zinc/53/14/51/659531451.db2.gz QUTOCYCVZJFAOI-JTQLQIEISA-N 1 0 376.242 1.486 20 0 GDADRO CC(=O)Nc1ccc(Br)cc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906502534 659548550 /nfs/dbraw/zinc/54/85/50/659548550.db2.gz STVVGSKRRMLIEV-UHFFFAOYSA-N 1 0 383.290 1.839 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906578628 659556888 /nfs/dbraw/zinc/55/68/88/659556888.db2.gz HHNRGZQBFJQWCN-UHFFFAOYSA-N 1 0 386.290 1.596 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(F)(F)c1ncccc1Br ZINC000906601511 659559723 /nfs/dbraw/zinc/55/97/23/659559723.db2.gz GZVTZQYLHUHLBU-LLVKDONJSA-N 1 0 391.260 1.688 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)[C@H](OC)c2ccc(Br)s2)CC1 ZINC000906671010 659567978 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COc1cc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)ccc1Br ZINC000906765523 659584182 /nfs/dbraw/zinc/58/41/82/659584182.db2.gz OFPBDBWAIUXCGN-MRXNPFEDSA-N 1 0 382.258 1.751 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000906781049 659586757 /nfs/dbraw/zinc/58/67/57/659586757.db2.gz NETGSKSQSRHFQA-SECBINFHSA-N 1 0 392.200 1.113 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)oc1Cl ZINC000907062206 659656260 /nfs/dbraw/zinc/65/62/60/659656260.db2.gz CGSZWHGWCKBQKA-ZYHUDNBSSA-N 1 0 376.862 1.824 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cs1)C(N)=O ZINC000907281460 659718677 /nfs/dbraw/zinc/71/86/77/659718677.db2.gz IWFWJSZMBAFJLA-SMDDNHRTSA-N 1 0 382.555 1.808 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cs1)C(N)=O ZINC000907281455 659718717 /nfs/dbraw/zinc/71/87/17/659718717.db2.gz IWFWJSZMBAFJLA-BXUZGUMPSA-N 1 0 382.555 1.808 20 0 GDADRO CCC[C@H](C(=O)OCC)S(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907330818 659728337 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1.065 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000908058450 659862079 /nfs/dbraw/zinc/86/20/79/659862079.db2.gz CSWZLFOGAXUXQL-UHFFFAOYSA-N 1 0 382.302 1.664 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000908199093 659881181 /nfs/dbraw/zinc/88/11/81/659881181.db2.gz CJTSPBFOEQLEQX-NSHDSACASA-N 1 0 387.303 1.408 20 0 GDADRO O=C([C@H](O)c1cccc(Br)c1)N1CCC[C@@H](N2CCOCC2)C1 ZINC000908535425 659923691 /nfs/dbraw/zinc/92/36/91/659923691.db2.gz XBUGHXRELUDSGI-HZPDHXFCSA-N 1 0 383.286 1.806 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000908601301 659926634 /nfs/dbraw/zinc/92/66/34/659926634.db2.gz GKWOHAFMNWHNDN-UHFFFAOYSA-N 1 0 388.917 1.709 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000908602084 659926707 /nfs/dbraw/zinc/92/67/07/659926707.db2.gz JNZIMJPUTJNWRG-UHFFFAOYSA-N 1 0 386.290 1.444 20 0 GDADRO Cc1ccc(C[C@H](CO)CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cc1Br ZINC000909246527 659943518 /nfs/dbraw/zinc/94/35/18/659943518.db2.gz ARDCJERJGUSDBR-DAYGRLMNSA-N 1 0 399.329 1.480 20 0 GDADRO CCN1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000910726365 659981673 /nfs/dbraw/zinc/98/16/73/659981673.db2.gz NDVSQXZKTFZNDF-HUUCEWRRSA-N 1 0 398.301 1.151 20 0 GDADRO CCN1CC[C@H]1CNC(=O)C(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000910726364 659981737 /nfs/dbraw/zinc/98/17/37/659981737.db2.gz NDVSQXZKTFZNDF-GJZGRUSLSA-N 1 0 398.301 1.151 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)CC[C@H]1C[NH3+] ZINC000910950716 659989167 /nfs/dbraw/zinc/98/91/67/659989167.db2.gz SRKLARGBKUCLQG-JSGCOSHPSA-N 1 0 384.933 1.528 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1cc(F)c(Cl)cc1Cl ZINC000910963102 659989304 /nfs/dbraw/zinc/98/93/04/659989304.db2.gz QAFUMWPVOIEDPA-ABKXIKBNSA-N 1 0 392.258 1.622 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000910964014 659989355 /nfs/dbraw/zinc/98/93/55/659989355.db2.gz WJTLALFNXMXLOU-JTQLQIEISA-N 1 0 391.274 1.331 20 0 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ZINC000911060861 659993048 /nfs/dbraw/zinc/99/30/48/659993048.db2.gz OOZSWTFOCVZMLD-DLOVCJGASA-N 1 0 378.885 1.904 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000911072645 659993234 /nfs/dbraw/zinc/99/32/34/659993234.db2.gz LNJPXSHCJYUPQI-SWLSCSKDSA-N 1 0 398.301 1.463 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911112226 659994851 /nfs/dbraw/zinc/99/48/51/659994851.db2.gz JTHNZHKSOVOOHU-SJCJKPOMSA-N 1 0 396.285 1.414 20 0 GDADRO Cc1csc([C@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C2CC2)n1 ZINC000911204901 659998383 /nfs/dbraw/zinc/99/83/83/659998383.db2.gz AJLQJQFDYUPUCU-GMTAPVOTSA-N 1 0 376.404 1.367 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)NCCNc1ncc(Cl)cc1Cl)C(C)C ZINC000911204109 659998460 /nfs/dbraw/zinc/99/84/60/659998460.db2.gz TXMQFNSJZLGGGI-UHFFFAOYSA-N 1 0 376.288 1.373 20 0 GDADRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NCc1cc(Br)cs1 ZINC000911250230 659999904 /nfs/dbraw/zinc/99/99/04/659999904.db2.gz 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O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)Nc1ccc(SC(F)F)cc1 ZINC000911884395 660020290 /nfs/dbraw/zinc/02/02/90/660020290.db2.gz YNBVCBMDDNTENL-ICCXJUOJSA-N 1 0 376.450 1.963 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cnnn2-c2ccccc2Br)CCO1 ZINC000911882784 660020305 /nfs/dbraw/zinc/02/03/05/660020305.db2.gz WOGUWOJGOFKCGS-QMTHXVAHSA-N 1 0 380.246 1.218 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)Nc1ccc(OC(F)(F)F)cc1 ZINC000911928374 660021684 /nfs/dbraw/zinc/02/16/84/660021684.db2.gz OOFNMGUHRAHHAU-ICCXJUOJSA-N 1 0 378.372 1.546 20 0 GDADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000911948418 660022277 /nfs/dbraw/zinc/02/22/77/660022277.db2.gz YXCHICSPKVPJNC-UHFFFAOYSA-N 1 0 399.285 1.749 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)NCc1cccc(C(F)(F)F)c1 ZINC000911989587 660023572 /nfs/dbraw/zinc/02/35/72/660023572.db2.gz JNMIBQSAYMGUPH-KWCYVHTRSA-N 1 0 376.400 1.344 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[C@@H](N)C(F)F ZINC000912147274 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GDADRO CC(C)[NH+]1CCN(CCC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000912536536 660041650 /nfs/dbraw/zinc/04/16/50/660041650.db2.gz RVAXEBLQAFRAOD-UHFFFAOYSA-N 1 0 384.322 1.404 20 0 GDADRO CN(CC[N@H+](C)CCO)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000912607086 660044702 /nfs/dbraw/zinc/04/47/02/660044702.db2.gz QDRWDDDOYTXEEQ-UHFFFAOYSA-N 1 0 382.814 1.938 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912884722 660057423 /nfs/dbraw/zinc/05/74/23/660057423.db2.gz RAGWAOOPAPFNQN-UHFFFAOYSA-N 1 0 380.286 1.876 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC([NH+]2CCC2)CC1 ZINC000912884517 660057457 /nfs/dbraw/zinc/05/74/57/660057457.db2.gz LFMZHYZSOHTALC-UHFFFAOYSA-N 1 0 380.286 1.876 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912921236 660059912 /nfs/dbraw/zinc/05/99/12/660059912.db2.gz GDNWDRONKFOGKL-LBPRGKRZSA-N 1 0 392.253 1.352 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccn2ncc(Br)c12 ZINC000912992642 660062747 /nfs/dbraw/zinc/06/27/47/660062747.db2.gz JDWJONGPVGENDZ-ZDUSSCGKSA-N 1 0 394.273 1.166 20 0 GDADRO Cn1ncc(I)c1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913277211 660074850 /nfs/dbraw/zinc/07/48/50/660074850.db2.gz RSPXVSRKVUQBFQ-KBPBESRZSA-N 1 0 388.253 1.439 20 0 GDADRO CN1CCN(C(=O)c2ccc(I)cc2F)C[C@H]1CO ZINC000913542273 660085583 /nfs/dbraw/zinc/08/55/83/660085583.db2.gz GNMDHCDKHROMQU-JTQLQIEISA-N 1 0 378.185 1.179 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000913680423 660091922 /nfs/dbraw/zinc/09/19/22/660091922.db2.gz OXEYTKLABQJLJV-UHFFFAOYSA-N 1 0 381.274 1.854 20 0 GDADRO CO[C@]1(CNC(=O)NCCC[N@H+](C)C2CCCCC2)CCS(=O)(=O)C1 ZINC000914077322 660114376 /nfs/dbraw/zinc/11/43/76/660114376.db2.gz GLYAZMHJOXZOCF-KRWDZBQOSA-N 1 0 375.535 1.144 20 0 GDADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2ncc(Br)cn2)C[C@@H]1C ZINC000914432719 660151172 /nfs/dbraw/zinc/15/11/72/660151172.db2.gz CPNJUUUZFWNJOG-TXEJJXNPSA-N 1 0 386.294 1.490 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000914720848 660154302 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382.472 1.171 20 0 GDADRO Cc1ccnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C(N)=O ZINC001164820939 720313493 /nfs/dbraw/zinc/31/34/93/720313493.db2.gz IGKGPONYAQKUQU-IAGOWNOFSA-N 1 0 385.512 1.400 20 0 GDADRO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2cc(C[NH+](C)C)ccn2)O1 ZINC001164728397 720323872 /nfs/dbraw/zinc/32/38/72/720323872.db2.gz VLNOXELQJAIULM-BZSNNMDCSA-N 1 0 376.501 1.374 20 0 GDADRO COC(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1C(=O)OC ZINC001164725664 720343469 /nfs/dbraw/zinc/34/34/69/720343469.db2.gz OUAIQBITLHESQL-IAGOWNOFSA-N 1 0 396.447 1.903 20 0 GDADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ncn4C)CC[C@@H]21 ZINC001164841144 720514708 /nfs/dbraw/zinc/51/47/08/720514708.db2.gz XQONKBVZKFANIC-IKGGRYGDSA-N 1 0 380.500 1.938 20 0 GDADRO COC(=O)c1cc2cnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nc2n1C ZINC001164732598 720522673 /nfs/dbraw/zinc/52/26/73/720522673.db2.gz FSFQAZSLKNSAPC-ZDUSSCGKSA-N 1 0 383.456 1.149 20 0 GDADRO NC(=O)c1cnc(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164734100 720555761 /nfs/dbraw/zinc/55/57/61/720555761.db2.gz UNHWGVXQCOKLHN-UHFFFAOYSA-N 1 0 375.864 1.084 20 0 GDADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1OC ZINC001164746282 720633559 /nfs/dbraw/zinc/63/35/59/720633559.db2.gz WXJFPUULAFWLTB-UONOGXRCSA-N 1 0 385.424 1.009 20 0 GDADRO COc1ccc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164742596 720665229 /nfs/dbraw/zinc/66/52/29/720665229.db2.gz VWBSOEVYPJPAAJ-RDJZCZTQSA-N 1 0 378.436 1.770 20 0 GDADRO CSc1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743168 720706008 /nfs/dbraw/zinc/70/60/08/720706008.db2.gz WPXBEIZCMBJRLH-RYUDHWBXSA-N 1 0 378.889 1.984 20 0 GDADRO CCOC(=O)c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1C ZINC001164737361 720707702 /nfs/dbraw/zinc/70/77/02/720707702.db2.gz FZPYBJSESVRFTF-HZPDHXFCSA-N 1 0 383.452 1.699 20 0 GDADRO CCOc1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742019 720710474 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C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3ccc(F)cc31)CC2 ZINC001164752235 720947998 /nfs/dbraw/zinc/94/79/98/720947998.db2.gz WXGBWJBKZSEKEE-UHFFFAOYSA-N 1 0 384.415 1.611 20 0 GDADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc3c1C(=O)OC3(C)C)CC2 ZINC001164750558 720952407 /nfs/dbraw/zinc/95/24/07/720952407.db2.gz LFGLPSUDDVWDCZ-UHFFFAOYSA-N 1 0 399.451 1.329 20 0 GDADRO COc1c(Cl)nc(C)nc1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164751696 720954687 /nfs/dbraw/zinc/95/46/87/720954687.db2.gz SAATZEQOOGFEQQ-UHFFFAOYSA-N 1 0 394.863 1.289 20 0 GDADRO Clc1nc2nc[nH]c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867804 721046279 /nfs/dbraw/zinc/04/62/79/721046279.db2.gz KMNINXTVRDPNSL-UONOGXRCSA-N 1 0 385.859 1.881 20 0 GDADRO NC(=O)c1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164869431 721054991 /nfs/dbraw/zinc/05/49/91/721054991.db2.gz SSSTYSYVHMOCAT-LSDHHAIUSA-N 1 0 387.871 1.709 20 0 GDADRO Cn1c(=O)ccc2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164866121 721092455 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HJYDCTLETIRKIB-DLBZAZTESA-N 1 0 379.468 1.721 20 0 GDADRO CCOc1ccc(C(=O)OC)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164773185 721150525 /nfs/dbraw/zinc/15/05/25/721150525.db2.gz XCEKEKDDKLXGLI-IRXDYDNUSA-N 1 0 399.495 1.959 20 0 GDADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)cc5c4CNC5=O)C[C@H]3C2)cn1 ZINC001164769898 721157981 /nfs/dbraw/zinc/15/79/81/721157981.db2.gz PYLZGKGGDAXXJB-UONOGXRCSA-N 1 0 386.887 1.670 20 0 GDADRO COc1cc(Cl)cnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164868563 721264213 /nfs/dbraw/zinc/26/42/13/721264213.db2.gz CGFSMMKPGBQKQV-UHFFFAOYSA-N 1 0 396.919 1.751 20 0 GDADRO CSc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)ncn1 ZINC001164869908 721265251 /nfs/dbraw/zinc/26/52/51/721265251.db2.gz UISPGIZQMGQEAA-UHFFFAOYSA-N 1 0 379.530 1.206 20 0 GDADRO COc1cc(C)cnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164875354 721280787 /nfs/dbraw/zinc/28/07/87/721280787.db2.gz VRUUDZHIFFPSNU-UHFFFAOYSA-N 1 0 376.501 1.406 20 0 GDADRO CCOc1cccnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164878655 721290036 /nfs/dbraw/zinc/29/00/36/721290036.db2.gz RYBFFJTWLLINEP-UHFFFAOYSA-N 1 0 376.501 1.487 20 0 GDADRO COC(=O)C1CCN(c2ccc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nn2)CC1 ZINC001164770818 721292275 /nfs/dbraw/zinc/29/22/75/721292275.db2.gz WPQRCLJADCMDQT-UHFFFAOYSA-N 1 0 385.512 1.788 20 0 GDADRO C[NH+](C)Cc1ccnc(N2C[C@@H]3OCC[C@@H]3[C@@H](C(=O)NCc3cccnc3)C2)c1 ZINC001164879989 721305133 /nfs/dbraw/zinc/30/51/33/721305133.db2.gz OJLHEMARTNNBTJ-AABGKKOBSA-N 1 0 395.507 1.696 20 0 GDADRO Cn1cnc2c1ccnc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164884315 721391116 /nfs/dbraw/zinc/39/11/16/721391116.db2.gz ABJDJPXCWXUSSK-DYESRHJHSA-N 1 0 384.528 1.734 20 0 GDADRO CCOc1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164889296 721399725 /nfs/dbraw/zinc/39/97/25/721399725.db2.gz LMHBFBHKCKJQRM-PXNSSMCTSA-N 1 0 375.517 1.641 20 0 GDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(F)cc4C(N)=O)C3)O2)CC1 ZINC001164890255 721427524 /nfs/dbraw/zinc/42/75/24/721427524.db2.gz CSORKVMGVSPAPO-UZLBHIALSA-N 1 0 391.491 1.085 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc(N4CCCC4)n2)CC3)CC1 ZINC001164796326 721508308 /nfs/dbraw/zinc/50/83/08/721508308.db2.gz RVIIRUVENDQDDR-UHFFFAOYSA-N 1 0 382.516 1.041 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cnc2Cl)CC3)CC1 ZINC001164794770 721512460 /nfs/dbraw/zinc/51/24/60/721512460.db2.gz VRNNJEXUNDYNPA-UHFFFAOYSA-N 1 0 382.299 1.748 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN([C@H](F)Oc2ccc(Cl)nc2)CC3)CC1 ZINC001164794071 721514024 /nfs/dbraw/zinc/51/40/24/721514024.db2.gz DOKDIZJIJCQCBW-SFHVURJKSA-N 1 0 394.882 1.827 20 0 GDADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCOCC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164898073 721515678 /nfs/dbraw/zinc/51/56/78/721515678.db2.gz HQEDKNOJOVDOMK-IEBWSBKVSA-N 1 0 399.470 1.794 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN([C@H](F)Oc2cncc(Cl)n2)CC3)CC1 ZINC001164795688 721521372 /nfs/dbraw/zinc/52/13/72/721521372.db2.gz RNYFUDQIVCGAAX-KRWDZBQOSA-N 1 0 395.870 1.222 20 0 GDADRO O=C(NC1CC1)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164907209 721558911 /nfs/dbraw/zinc/55/89/11/721558911.db2.gz MSCQQIUAAGPIKL-AEFFLSMTSA-N 1 0 397.454 1.850 20 0 GDADRO O=C(N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2COC[C@@H]12)c1cnccn1 ZINC001164797792 721598890 /nfs/dbraw/zinc/59/88/90/721598890.db2.gz CETLMYLIGSPFLY-QXAKKESOSA-N 1 0 394.479 1.101 20 0 GDADRO COc1cc(OC)nc(CN2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)n1 ZINC001165030030 721849947 /nfs/dbraw/zinc/84/99/47/721849947.db2.gz OAKJJYLSTMLXED-UHFFFAOYSA-N 1 0 398.511 1.807 20 0 GDADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164930395 721860353 /nfs/dbraw/zinc/86/03/53/721860353.db2.gz RSKICSPNBMNBJX-KBPBESRZSA-N 1 0 381.908 1.450 20 0 GDADRO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164923166 721874799 /nfs/dbraw/zinc/87/47/99/721874799.db2.gz IXGFUMPALBEDKT-JKSUJKDBSA-N 1 0 386.500 1.360 20 0 GDADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)cc(O[C@H]2CCOC2)n1 ZINC001164934064 721889187 /nfs/dbraw/zinc/88/91/87/721889187.db2.gz PGKTXHACMZMZME-RRFJBIMHSA-N 1 0 381.908 1.512 20 0 GDADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164930238 721889215 /nfs/dbraw/zinc/88/92/15/721889215.db2.gz CQNJZPVTEHFHPG-STQMWFEESA-N 1 0 375.851 1.898 20 0 GDADRO CC[NH+](CC)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001165052784 722005811 /nfs/dbraw/zinc/00/58/11/722005811.db2.gz BCXMRIQMKUIWBG-UHFFFAOYSA-N 1 0 382.530 1.413 20 0 GDADRO Cn1cccc1C(=O)N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2COC[C@H]12 ZINC001164963173 722037351 /nfs/dbraw/zinc/03/73/51/722037351.db2.gz QBRRMJAMJDWKQA-QWFCFKBJSA-N 1 0 395.507 1.650 20 0 GDADRO Cn1cccc1C(=O)N[C@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@H]2COC[C@@H]12 ZINC001164963616 722037876 /nfs/dbraw/zinc/03/78/76/722037876.db2.gz QSPMYUMAWZCMIY-BJLQDIEVSA-N 1 0 395.507 1.648 20 0 GDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)n2)CC1 ZINC001164958109 722047557 /nfs/dbraw/zinc/04/75/57/722047557.db2.gz LMTVXHNIKPTNCO-DLBZAZTESA-N 1 0 381.480 1.777 20 0 GDADRO O=C1Cc2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2N1 ZINC001164986503 722104362 /nfs/dbraw/zinc/10/43/62/722104362.db2.gz ZDMFVGBCHJJIPC-LPHOPBHVSA-N 1 0 379.464 1.699 20 0 GDADRO COC(=O)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980056 722104766 /nfs/dbraw/zinc/10/47/66/722104766.db2.gz JDLJJLMFOXOWBL-PKOBYXMFSA-N 1 0 382.464 1.991 20 0 GDADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3c(n1)NC(=O)CO3)CCC2 ZINC001165001817 722253963 /nfs/dbraw/zinc/25/39/63/722253963.db2.gz GIXKUFFEGYUZSD-UHFFFAOYSA-N 1 0 386.456 1.098 20 0 GDADRO COC(=O)c1cc(C)cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165001965 722254602 /nfs/dbraw/zinc/25/46/02/722254602.db2.gz KFTNTTBOAWMPNE-UHFFFAOYSA-N 1 0 387.484 1.862 20 0 GDADRO COCc1nc(OC)cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004155 722257861 /nfs/dbraw/zinc/25/78/61/722257861.db2.gz OAWSJFKEGDRCJP-UHFFFAOYSA-N 1 0 390.488 1.317 20 0 GDADRO Cn1cc([C@H]2CC[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cn1 ZINC000737603883 945100610 /nfs/dbraw/zinc/10/06/10/945100610.db2.gz GHSNNENSJFCYTB-YOEHRIQHSA-N 1 0 378.440 1.195 20 0 GDADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000735563299 944671257 /nfs/dbraw/zinc/67/12/57/944671257.db2.gz SPYHZAUYIJHTAD-GDBMZVCRSA-N 1 0 397.483 1.528 20 0 GDADRO CC[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000736349681 944807857 /nfs/dbraw/zinc/80/78/57/944807857.db2.gz IEYYWRFCTZNTBA-QGZVFWFLSA-N 1 0 377.452 1.828 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c(=O)[nH]1 ZINC001571262519 945440286 /nfs/dbraw/zinc/44/02/86/945440286.db2.gz SEWOZFDZFSQZGS-LLVKDONJSA-N 1 0 385.453 1.342 20 0 GDADRO CC(=O)N1CCC([C@@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)CCO2)CC1 ZINC001571263565 945461317 /nfs/dbraw/zinc/46/13/17/945461317.db2.gz UALUJLXDELOOJU-YJBOKZPZSA-N 1 0 385.472 1.210 20 0 GDADRO CO[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCC1 ZINC001571264196 945478183 /nfs/dbraw/zinc/47/81/83/945478183.db2.gz INHFYLPDXANZAN-HLLBOEOZSA-N 1 0 385.472 1.299 20 0 GDADRO CC1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC001571264164 945478505 /nfs/dbraw/zinc/47/85/05/945478505.db2.gz HRZQKADWLMIBNJ-AUUYWEPGSA-N 1 0 385.472 1.206 20 0 GDADRO C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571264558 945485203 /nfs/dbraw/zinc/48/52/03/945485203.db2.gz RHDCFBAWXTWOIW-AJNGGQMLSA-N 1 0 385.472 1.196 20 0 GDADRO CC[C@@H]1CC[C@@H](C(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)O1 ZINC001571264660 945489609 /nfs/dbraw/zinc/48/96/09/945489609.db2.gz TUPBSFRJOVUCQN-PBHICJAKSA-N 1 0 385.472 1.552 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)C3CCOCC3)CC2(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264955 945495389 /nfs/dbraw/zinc/49/53/89/945495389.db2.gz ABJAJDATKUNYIK-INIZCTEOSA-N 1 0 385.472 1.068 20 0 GDADRO O=C(C[C@@H]1CCCOC1)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571266193 945533317 /nfs/dbraw/zinc/53/33/17/945533317.db2.gz NFXXPBWKVBBAJP-LSDHHAIUSA-N 1 0 385.472 1.293 20 0 GDADRO O=C(CC1CCCC1)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571266365 945538512 /nfs/dbraw/zinc/53/85/12/945538512.db2.gz PHGINFSFJPYZMD-UHFFFAOYSA-N 1 0 385.472 1.029 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC2CC2)CC1 ZINC001571266588 945546792 /nfs/dbraw/zinc/54/67/92/945546792.db2.gz UVFZDXZHBDMALH-WBVHZDCISA-N 1 0 385.472 1.204 20 0 GDADRO O=C(N[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCCO1)C2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571266800 945555095 /nfs/dbraw/zinc/55/50/95/945555095.db2.gz ZKKCXOAOUCSTDF-NJSLBKSFSA-N 1 0 385.472 1.348 20 0 GDADRO CC[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[nH]n3)c(C)n2)C1)[NH+](C)C ZINC001571271342 945643017 /nfs/dbraw/zinc/64/30/17/945643017.db2.gz AMOVMRJDYYPRBA-HOCLYGCPSA-N 1 0 386.504 1.195 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCn1cccn1 ZINC001571271661 945647873 /nfs/dbraw/zinc/64/78/73/945647873.db2.gz GUKUJYNTGKKWGT-OCCSQVGLSA-N 1 0 386.485 1.294 20 0 GDADRO Cc1ncsc1C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571271683 945648003 /nfs/dbraw/zinc/64/80/03/945648003.db2.gz HDBXRKUOJIFADX-LBPRGKRZSA-N 1 0 386.485 1.696 20 0 GDADRO C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C(C)(C)C ZINC001571271849 945652369 /nfs/dbraw/zinc/65/23/69/945652369.db2.gz KXLKZZUQROHTPN-RHSMWYFYSA-N 1 0 386.500 1.866 20 0 GDADRO CCn1cnc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571272112 945655677 /nfs/dbraw/zinc/65/56/77/945655677.db2.gz PPUNHLPONHDTCY-TXEJJXNPSA-N 1 0 386.485 1.443 20 0 GDADRO CC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001571272113 945656689 /nfs/dbraw/zinc/65/66/89/945656689.db2.gz PQIUTOVICWTPLL-UHFFFAOYSA-N 1 0 386.485 1.365 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCCN1C(=O)CC(C)(C)O ZINC001571272571 945665479 /nfs/dbraw/zinc/66/54/79/945665479.db2.gz XAUSSSWOTWHNSE-RHSMWYFYSA-N 1 0 386.500 1.887 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C(C)(C)C ZINC001571272624 945667229 /nfs/dbraw/zinc/66/72/29/945667229.db2.gz XMHDCGPKMXQOKZ-YOEHRIQHSA-N 1 0 386.500 1.866 20 0 GDADRO Cc1cc(N[C@H]2CCCN(C(=O)c3ccc(Cl)[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571275128 945702613 /nfs/dbraw/zinc/70/26/13/945702613.db2.gz PVZLGQNIPRZCLP-NSHDSACASA-N 1 0 386.847 1.690 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCO3)C2)cc1-c1nn[nH]n1 ZINC001571278951 945765565 /nfs/dbraw/zinc/76/55/65/945765565.db2.gz SMEGAJGIGIDBED-PBHICJAKSA-N 1 0 386.456 1.135 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ccns1 ZINC001571279747 945786124 /nfs/dbraw/zinc/78/61/24/945786124.db2.gz UPPRJGFSVXKOIH-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO Cc1nn[nH]c1C(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571282372 945843755 /nfs/dbraw/zinc/84/37/55/945843755.db2.gz WNJNFWOHLRDDQY-MNOVXSKESA-N 1 0 387.473 1.186 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC001571282559 945850149 /nfs/dbraw/zinc/85/01/49/945850149.db2.gz KPBXKNBFFXLYRJ-CQSZACIVSA-N 1 0 387.463 1.529 20 0 GDADRO O=C(NCC1CC[NH+](CCC2CCOCC2)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571283383 945884106 /nfs/dbraw/zinc/88/41/06/945884106.db2.gz DQCVYQZEMRHNHE-UHFFFAOYSA-N 1 0 387.488 1.453 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCCO[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001571283558 945885815 /nfs/dbraw/zinc/88/58/15/945885815.db2.gz GHFWVZAYCPSTBT-OAHLLOKOSA-N 1 0 387.488 1.596 20 0 GDADRO CC[C@@H](C(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[nH]n3)nn2)CC1)[NH+](C)C ZINC001571283702 945888780 /nfs/dbraw/zinc/88/87/80/945888780.db2.gz HEAWGDWPZKISQV-WFASDCNBSA-N 1 0 387.492 1.036 20 0 GDADRO Cc1cc(NCC2(O)CCN(C(=O)CC(C)(C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571284579 945902556 /nfs/dbraw/zinc/90/25/56/945902556.db2.gz RAJPINWOLAVBLJ-UHFFFAOYSA-N 1 0 387.488 1.194 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1n[nH]cc1F ZINC001571285434 945915990 /nfs/dbraw/zinc/91/59/90/945915990.db2.gz DLSHDRJUHJTCOQ-OTCDBFHCSA-N 1 0 388.382 1.166 20 0 GDADRO O=C(C[C@@H]1CCCO1)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287253 945970731 /nfs/dbraw/zinc/97/07/31/945970731.db2.gz BSDQDOGVMPRGBE-CJNGLKHVSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1CCOCC1 ZINC001571288021 945980177 /nfs/dbraw/zinc/98/01/77/945980177.db2.gz LKUHJYHDWQEFQR-UHFFFAOYSA-N 1 0 388.447 1.417 20 0 GDADRO CN(C(=O)[C@@]1(F)CCOC1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571288309 945986398 /nfs/dbraw/zinc/98/63/98/945986398.db2.gz NWPQUAZWNMKYMD-LJQANCHMSA-N 1 0 388.447 1.418 20 0 GDADRO O=C(C[C@@H]1CCCO1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571288756 945993289 /nfs/dbraw/zinc/99/32/89/945993289.db2.gz SVWVUALVUYOJJG-CVEARBPZSA-N 1 0 388.447 1.656 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571289549 946009724 /nfs/dbraw/zinc/00/97/24/946009724.db2.gz HJDUJTVYGIRQDJ-KZULUSFZSA-N 1 0 388.451 1.003 20 0 GDADRO Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289709 946015508 /nfs/dbraw/zinc/01/55/08/946015508.db2.gz KUFUWOXAIXDVOL-SNVBAGLBSA-N 1 0 388.457 1.060 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(C)C)CCCO2)cc1-c1nn[nH]n1 ZINC001571289774 946017606 /nfs/dbraw/zinc/01/76/06/946017606.db2.gz MCXZGMRIQFJBRB-HNNXBMFYSA-N 1 0 388.472 1.238 20 0 GDADRO O=C(c1csc(=O)[nH]1)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571291604 946078686 /nfs/dbraw/zinc/07/86/86/946078686.db2.gz MOAUJTNNOLHOBF-LLVKDONJSA-N 1 0 389.416 1.172 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1Cc2ccccc2O1 ZINC001571296366 946191866 /nfs/dbraw/zinc/19/18/66/946191866.db2.gz VWHGUAQTPKMLMM-FCEWJHQRSA-N 1 0 390.447 1.607 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@]3(CCN(c4cc[nH+]cc4-c4nn[nH]n4)C3)C2)cn1 ZINC001571298174 946208592 /nfs/dbraw/zinc/20/85/92/946208592.db2.gz BGSRWNLWXONSPW-HXUWFJFHSA-N 1 0 390.451 1.708 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)NCC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573484110 946215350 /nfs/dbraw/zinc/21/53/50/946215350.db2.gz KIYSQZSPPYJPSR-SUMWQHHRSA-N 1 0 387.488 1.012 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)C(C)(C)F)C[C@@H]1C ZINC001571298494 946217677 /nfs/dbraw/zinc/21/76/77/946217677.db2.gz PJTYRFZPYPESEI-WFASDCNBSA-N 1 0 390.463 1.950 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)c3nc(Cl)cs3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571298524 946217864 /nfs/dbraw/zinc/21/78/64/946217864.db2.gz AEVIBYXSPWINAO-SECBINFHSA-N 1 0 390.860 1.689 20 0 GDADRO O=C(c1cncnc1)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571298845 946230043 /nfs/dbraw/zinc/23/00/43/946230043.db2.gz RGWABFVDUNELBB-ZWKOTPCHSA-N 1 0 390.451 1.536 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CCN(C(=O)c2cnns2)CC1 ZINC001571299062 946237571 /nfs/dbraw/zinc/23/75/71/946237571.db2.gz UEGQUYVHROIXRL-UHFFFAOYSA-N 1 0 390.498 1.516 20 0 GDADRO O=C(c1cccc(=O)[nH]1)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571303802 946348396 /nfs/dbraw/zinc/34/83/96/946348396.db2.gz QFTPUYCCIVZRNV-DOTOQJQBSA-N 1 0 391.435 1.314 20 0 GDADRO Cc1cncc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571306839 946411116 /nfs/dbraw/zinc/41/11/16/946411116.db2.gz REUWVWOHQVPFCG-DNVCBOLYSA-N 1 0 391.479 1.749 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571307184 946418086 /nfs/dbraw/zinc/41/80/86/946418086.db2.gz ZHPSXGZRQRIZJU-IFXJQAMLSA-N 1 0 391.479 1.749 20 0 GDADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCCO1)[C@H]1CC1(F)F ZINC001571307208 946420339 /nfs/dbraw/zinc/42/03/39/946420339.db2.gz ABGDIJFRAKVOOL-DZGCQCFKSA-N 1 0 392.410 1.229 20 0 GDADRO O=C(N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1(F)CCOCC1 ZINC001571307890 946427832 /nfs/dbraw/zinc/42/78/32/946427832.db2.gz IZNCMHHVKJPTOJ-CQSZACIVSA-N 1 0 392.410 1.215 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001571309379 946443002 /nfs/dbraw/zinc/44/30/02/946443002.db2.gz YQRJGGBBDHRDGC-HZSPNIEDSA-N 1 0 392.410 1.657 20 0 GDADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001571309422 946444290 /nfs/dbraw/zinc/44/42/90/946444290.db2.gz ZOPACRZUIBOGRZ-UHFFFAOYSA-N 1 0 391.907 1.618 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCCN1C(=O)c1ncccn1 ZINC001571310316 946469314 /nfs/dbraw/zinc/46/93/14/946469314.db2.gz BIIHBEOPVCOYLF-YOEHRIQHSA-N 1 0 392.467 1.830 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccn1 ZINC001571310533 946476180 /nfs/dbraw/zinc/47/61/80/946476180.db2.gz ITDLGYBSRADFPG-ZTFGCOKTSA-N 1 0 392.467 1.357 20 0 GDADRO C[C@H](NC(=O)c1cncnc1)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571310610 946477393 /nfs/dbraw/zinc/47/73/93/946477393.db2.gz KPJZPMSUEKACOR-LSDHHAIUSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2n[nH]c3c2CCC3)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571312669 946497475 /nfs/dbraw/zinc/49/74/75/946497475.db2.gz AEEKLHSDGOBZJD-WBMJQRKESA-N 1 0 392.467 1.471 20 0 GDADRO C[C@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571313776 946531975 /nfs/dbraw/zinc/53/19/75/946531975.db2.gz WBCPOWBSLBGGSD-BBRMVZONSA-N 1 0 392.467 1.260 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571314924 946544649 /nfs/dbraw/zinc/54/46/49/946544649.db2.gz DQISKBJKVOUZAO-JXFKEZNVSA-N 1 0 392.467 1.825 20 0 GDADRO Cc1cc(NC[C@H]2CCCN2C(=O)Cc2ccncc2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314952 946547913 /nfs/dbraw/zinc/54/79/13/946547913.db2.gz FFYPCBBTZQNQNK-MRXNPFEDSA-N 1 0 392.467 1.341 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)cn1 ZINC001571315859 946561475 /nfs/dbraw/zinc/56/14/75/946561475.db2.gz PUKCKFWURRICJV-CZUORRHYSA-N 1 0 392.467 1.136 20 0 GDADRO Cc1cc(C)c(C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c(C)n1 ZINC001571316120 946567168 /nfs/dbraw/zinc/56/71/68/946567168.db2.gz UMMWWYRJPMCVCK-OAHLLOKOSA-N 1 0 392.467 1.721 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCCc2n[nH]cc21 ZINC001571316335 946574113 /nfs/dbraw/zinc/57/41/13/946574113.db2.gz ACIKGDNWFXLXGU-HZPDHXFCSA-N 1 0 392.467 1.400 20 0 GDADRO Cc1[nH]nc(Cl)c1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571317371 946609210 /nfs/dbraw/zinc/60/92/10/946609210.db2.gz FJRSQUWYWXEVNH-SECBINFHSA-N 1 0 392.876 1.617 20 0 GDADRO CS[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571317682 946618395 /nfs/dbraw/zinc/61/83/95/946618395.db2.gz QSXGJRVBCLTJKB-MBNYWOFBSA-N 1 0 392.504 1.941 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H](C[NH2+]Cc2csc(Cl)n2)C1 ZINC001571317774 946621722 /nfs/dbraw/zinc/62/17/22/946621722.db2.gz VORHQMLENLALDM-SECBINFHSA-N 1 0 392.876 1.557 20 0 GDADRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824440724 946707913 /nfs/dbraw/zinc/70/79/13/946707913.db2.gz JIHDFGZJCFMMCP-HNAYVOBHSA-N 1 0 386.500 1.615 20 0 GDADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824544990 946784501 /nfs/dbraw/zinc/78/45/01/946784501.db2.gz AVGIGONOJIINOO-ZDUSSCGKSA-N 1 0 378.502 1.026 20 0 GDADRO C[C@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553884 946795181 /nfs/dbraw/zinc/79/51/81/946795181.db2.gz JVDYMUFASZTIJI-LBPRGKRZSA-N 1 0 377.408 1.503 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@](C)=O)cc1 ZINC000824563847 946801362 /nfs/dbraw/zinc/80/13/62/946801362.db2.gz QRAZZEKNXILKIV-OIJAAMDRSA-N 1 0 398.492 1.571 20 0 GDADRO CC(=O)Nc1cccc(C[NH2+]C[C@@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001573546491 946808114 /nfs/dbraw/zinc/80/81/14/946808114.db2.gz AYZWSQNTIGMMNH-LLVKDONJSA-N 1 0 382.428 1.061 20 0 GDADRO C[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824594263 946849856 /nfs/dbraw/zinc/84/98/56/946849856.db2.gz ZIZJPLJRZXMHJR-CYBMUJFWSA-N 1 0 386.481 1.863 20 0 GDADRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824605137 946853774 /nfs/dbraw/zinc/85/37/74/946853774.db2.gz FSZSKXHJPXVJQX-NSHDSACASA-N 1 0 390.444 1.547 20 0 GDADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000824728698 946914528 /nfs/dbraw/zinc/91/45/28/946914528.db2.gz GQFQIRNSFOXYNF-YOEHRIQHSA-N 1 0 384.484 1.824 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H](C)c1cnn(C)c1 ZINC001573585870 947269925 /nfs/dbraw/zinc/26/99/25/947269925.db2.gz JADHCCHPSQFFGO-VXGBXAGGSA-N 1 0 388.501 1.402 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000825663237 947278929 /nfs/dbraw/zinc/27/89/29/947278929.db2.gz KBQOXOUHCHRXJM-LLVKDONJSA-N 1 0 382.465 1.471 20 0 GDADRO CN1CCC[C@@H]([NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)C1=O ZINC000826028549 947408583 /nfs/dbraw/zinc/40/85/83/947408583.db2.gz CCRMJWZIHIXTAH-MRXNPFEDSA-N 1 0 383.456 1.138 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(F)F ZINC001573594874 947411138 /nfs/dbraw/zinc/41/11/38/947411138.db2.gz DDZUCRNNCNSCHP-BXUZGUMPSA-N 1 0 382.415 1.067 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573595929 947424789 /nfs/dbraw/zinc/42/47/89/947424789.db2.gz HSZLZHSVUYGFOC-JSGCOSHPSA-N 1 0 392.479 1.597 20 0 GDADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826134149 947445994 /nfs/dbraw/zinc/44/59/94/947445994.db2.gz STSVGIUIJONLMF-BEFAXECRSA-N 1 0 386.456 1.194 20 0 GDADRO CC(C)N(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H](C)[C@H]1CCCO1 ZINC001573603420 947486570 /nfs/dbraw/zinc/48/65/70/947486570.db2.gz GMZVTXJAAGHSRW-RHSMWYFYSA-N 1 0 387.488 1.750 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000826183097 947562936 /nfs/dbraw/zinc/56/29/36/947562936.db2.gz DDRRYALTDASYIS-IAGOWNOFSA-N 1 0 383.456 1.697 20 0 GDADRO COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000826191344 947584373 /nfs/dbraw/zinc/58/43/73/947584373.db2.gz DDUBVLFDHGVIPD-HIFRSBDPSA-N 1 0 382.472 1.582 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573614826 947593980 /nfs/dbraw/zinc/59/39/80/947593980.db2.gz HRFWZWBCYUKBQC-KGLIPLIRSA-N 1 0 385.497 1.929 20 0 GDADRO C=Cc1ccc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001573350751 947600829 /nfs/dbraw/zinc/60/08/29/947600829.db2.gz FWOYFYSFMYWBAN-LJQANCHMSA-N 1 0 392.463 1.732 20 0 GDADRO C[C@@H](C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573615802 947613136 /nfs/dbraw/zinc/61/31/36/947613136.db2.gz KUTHUNDNMMMZHZ-CQSZACIVSA-N 1 0 392.467 1.675 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573617417 947635760 /nfs/dbraw/zinc/63/57/60/947635760.db2.gz OZOXUOXZFKCGKX-ZIAGYGMSSA-N 1 0 381.440 1.943 20 0 GDADRO C/C(=C/C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001573357921 947655131 /nfs/dbraw/zinc/65/51/31/947655131.db2.gz CNSBLTQIGPVJPS-OOXMNIKJSA-N 1 0 384.484 1.474 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573619612 947667741 /nfs/dbraw/zinc/66/77/41/947667741.db2.gz WEIXHKIBOHWAOQ-WFASDCNBSA-N 1 0 384.419 1.154 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1F ZINC001573625194 947699713 /nfs/dbraw/zinc/69/97/13/947699713.db2.gz NPOAHCMJQREXFL-OLZOCXBDSA-N 1 0 381.415 1.639 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573628024 947741948 /nfs/dbraw/zinc/74/19/48/947741948.db2.gz FGNWVIVUBFTCQQ-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC001573368859 947770830 /nfs/dbraw/zinc/77/08/30/947770830.db2.gz PZSDYBHHZIAQER-WBMJQRKESA-N 1 0 388.447 1.844 20 0 GDADRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CCCO1 ZINC001573637828 947823814 /nfs/dbraw/zinc/82/38/14/947823814.db2.gz RPUBIIWSAYUTRL-MAUKXSAKSA-N 1 0 384.484 1.716 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573638022 947830506 /nfs/dbraw/zinc/83/05/06/947830506.db2.gz YWBDSZUVBRGGMF-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001573640093 947849850 /nfs/dbraw/zinc/84/98/50/947849850.db2.gz FKAVMCBWPKFVOF-WCQYABFASA-N 1 0 376.486 1.291 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@]1(C)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573380324 947857606 /nfs/dbraw/zinc/85/76/06/947857606.db2.gz AWUCANFHMALVDG-LJQANCHMSA-N 1 0 385.472 1.744 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573644039 947867821 /nfs/dbraw/zinc/86/78/21/947867821.db2.gz XGRVSKBSDOYRLS-IUODEOHRSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1)n1cccn1 ZINC001573647207 947886910 /nfs/dbraw/zinc/88/69/10/947886910.db2.gz DVKYKJFOEZVVQG-OLMNPRSZSA-N 1 0 392.467 1.215 20 0 GDADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000826334542 947969046 /nfs/dbraw/zinc/96/90/46/947969046.db2.gz ZAEZGRCYMJPDKA-UHFFFAOYSA-N 1 0 383.456 1.921 20 0 GDADRO C[C@@H](C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573664344 948053561 /nfs/dbraw/zinc/05/35/61/948053561.db2.gz TZLHXXUOBOOPTG-DNOWBOINSA-N 1 0 378.440 1.189 20 0 GDADRO Cn1cc([C@@H]2CC[N@@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cn1 ZINC000826360027 948117952 /nfs/dbraw/zinc/11/79/52/948117952.db2.gz VRXGMVNMZFTWEY-QAPCUYQASA-N 1 0 392.467 1.585 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cccs1 ZINC001573678617 948153369 /nfs/dbraw/zinc/15/33/69/948153369.db2.gz FOSIVKUPHYOEHU-GHMZBOCLSA-N 1 0 392.510 1.360 20 0 GDADRO C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccc1 ZINC001573679356 948160140 /nfs/dbraw/zinc/16/01/40/948160140.db2.gz IBYUHUGXIQSLPG-IUODEOHRSA-N 1 0 385.497 1.975 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCCC1 ZINC001573680129 948172726 /nfs/dbraw/zinc/17/27/26/948172726.db2.gz LYLQASLUZQQBNC-WFASDCNBSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)n1cccc1 ZINC001573691083 948234146 /nfs/dbraw/zinc/23/41/46/948234146.db2.gz COSWJTCUGRHJLZ-AWEZNQCLSA-N 1 0 380.456 1.587 20 0 GDADRO O=C(C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)NCc1ccco1 ZINC000826412692 948251563 /nfs/dbraw/zinc/25/15/63/948251563.db2.gz ZFXPNGDRRQBINV-UHFFFAOYSA-N 1 0 395.467 1.330 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)C(F)(F)F ZINC001573692209 948258333 /nfs/dbraw/zinc/25/83/33/948258333.db2.gz NCWKDZJYIAMFMK-VIFPVBQESA-N 1 0 386.353 1.943 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCCC1 ZINC001573692476 948265365 /nfs/dbraw/zinc/26/53/65/948265365.db2.gz PAWRISVQUAZISP-SWLSCSKDSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccn1 ZINC001573695916 948310956 /nfs/dbraw/zinc/31/09/56/948310956.db2.gz JGWVWXNAZYZJOS-PILAGYSTSA-N 1 0 392.467 1.118 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)C1CC1 ZINC001573696704 948331896 /nfs/dbraw/zinc/33/18/96/948331896.db2.gz WAQAXRPWLYLOHN-AHBIMHKDSA-N 1 0 384.459 1.846 20 0 GDADRO O=C1[C@@H]([NH+]2CCC(CCCO)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476219 948379018 /nfs/dbraw/zinc/37/90/18/948379018.db2.gz CWEVBICATKYLQA-SFHVURJKSA-N 1 0 384.484 1.847 20 0 GDADRO O=C1[C@@H](N2CC[C@@H](C[NH+]3CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476378 948379338 /nfs/dbraw/zinc/37/93/38/948379338.db2.gz GGMXLXAZUREIMM-LPHOPBHVSA-N 1 0 395.511 1.780 20 0 GDADRO O=C1[C@@H]([NH+]2CCC(c3c[nH]cn3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477136 948386815 /nfs/dbraw/zinc/38/68/15/948386815.db2.gz WJYLRIHKMLHLNA-SFHVURJKSA-N 1 0 392.467 1.965 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)C(F)(F)F ZINC001573727411 948554047 /nfs/dbraw/zinc/55/40/47/948554047.db2.gz NEUVRZURUYUFOR-GMTAPVOTSA-N 1 0 383.378 1.649 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573727553 948555610 /nfs/dbraw/zinc/55/56/10/948555610.db2.gz AETLWTIMDAEBBM-JHJVBQTASA-N 1 0 386.485 1.370 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573753445 948719735 /nfs/dbraw/zinc/71/97/35/948719735.db2.gz VHAVKAXWTUMHMS-RCBQFDQVSA-N 1 0 383.431 1.805 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccc1 ZINC001573753433 948719767 /nfs/dbraw/zinc/71/97/67/948719767.db2.gz UXTHDYPSOBDPQN-ZSGPHXLJSA-N 1 0 377.452 1.476 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001573753914 948723069 /nfs/dbraw/zinc/72/30/69/948723069.db2.gz YGDOIPQEFBNMBH-ZLIFDBKOSA-N 1 0 380.456 1.141 20 0 GDADRO CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001574417465 948769996 /nfs/dbraw/zinc/76/99/96/948769996.db2.gz OKJXSSJHIYYMNJ-HNNXBMFYSA-N 1 0 381.440 1.010 20 0 GDADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1nc2ccc(-c3nn[nH]n3)cc2[nH]1 ZINC001574079997 948781773 /nfs/dbraw/zinc/78/17/73/948781773.db2.gz MWCGSFQGWZUVCS-HNNXBMFYSA-N 1 0 384.444 1.475 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001575224352 948785084 /nfs/dbraw/zinc/78/50/84/948785084.db2.gz VBBPDBNVTLVKMC-CQSZACIVSA-N 1 0 376.411 1.993 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001574420002 948794114 /nfs/dbraw/zinc/79/41/14/948794114.db2.gz OHZYPODEFKYUEQ-GASCZTMLSA-N 1 0 380.456 1.764 20 0 GDADRO CC(C)[C@@H](F)C(=O)NCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001574081071 948815669 /nfs/dbraw/zinc/81/56/69/948815669.db2.gz PDMXAJIJOCFTSE-QGZVFWFLSA-N 1 0 389.479 1.095 20 0 GDADRO CC(F)(F)CC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001575229144 948836968 /nfs/dbraw/zinc/83/69/68/948836968.db2.gz CPUMWHRCNCFIGI-HAQNSBGRSA-N 1 0 379.415 1.816 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574684260 948859226 /nfs/dbraw/zinc/85/92/26/948859226.db2.gz CPDQRYKJBXJTHR-NEPJUHHUSA-N 1 0 376.440 1.049 20 0 GDADRO CC(C)(C(=O)N1CCC[C@H]1CNc1ncccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573764597 948890394 /nfs/dbraw/zinc/89/03/94/948890394.db2.gz OVUJIFDNMDUBGP-AWEZNQCLSA-N 1 0 384.488 1.539 20 0 GDADRO CC(F)(F)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001575235858 948928653 /nfs/dbraw/zinc/92/86/53/948928653.db2.gz RVNMDNAOIWZSBN-JYAVWHMHSA-N 1 0 380.374 1.598 20 0 GDADRO CC(F)(F)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575237006 948941381 /nfs/dbraw/zinc/94/13/81/948941381.db2.gz CQJJYRBTIVHXRD-LBPRGKRZSA-N 1 0 386.378 1.008 20 0 GDADRO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCNc1ncccc1-c1nn[nH]n1 ZINC001574686760 948942481 /nfs/dbraw/zinc/94/24/81/948942481.db2.gz LBQIUCIJHXDYHI-ZBFHGGJFSA-N 1 0 386.504 1.831 20 0 GDADRO CC(C)c1nccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574432967 948946783 /nfs/dbraw/zinc/94/67/83/948946783.db2.gz QVVSNLRLZROHCH-CQSZACIVSA-N 1 0 382.472 1.481 20 0 GDADRO C[C@@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574688617 948962740 /nfs/dbraw/zinc/96/27/40/948962740.db2.gz WBDVHQZKYRJOSM-AWEZNQCLSA-N 1 0 384.488 1.444 20 0 GDADRO CC(C)c1nnc(C[NH2+][C@@H](C)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)s1 ZINC001574435769 949000737 /nfs/dbraw/zinc/00/07/37/949000737.db2.gz ZYGMBUMNJFUQSA-JTQLQIEISA-N 1 0 389.489 1.468 20 0 GDADRO C[C@@H](F)CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@]2(C)C1 ZINC001575245332 949021083 /nfs/dbraw/zinc/02/10/83/949021083.db2.gz AENVKOMAQVFGNK-PJSAGSTRSA-N 1 0 375.452 1.727 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)C(F)(F)F ZINC001573774912 949025360 /nfs/dbraw/zinc/02/53/60/949025360.db2.gz YINVMIHRKBVJTK-LLVKDONJSA-N 1 0 386.378 1.022 20 0 GDADRO C[C@@H](F)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575248176 949065904 /nfs/dbraw/zinc/06/59/04/949065904.db2.gz PAXDVTUYCVRKTG-RGYTYGDFSA-N 1 0 383.431 1.928 20 0 GDADRO CC(C)c1nocc1C(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574442192 949091271 /nfs/dbraw/zinc/09/12/71/949091271.db2.gz LSKQKCUURIEFGH-UHFFFAOYSA-N 1 0 382.428 1.510 20 0 GDADRO C[C@H](NC(=O)C1(C(F)F)CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575249431 949096880 /nfs/dbraw/zinc/09/68/80/949096880.db2.gz BUCOJXGJLMVGAP-NSHDSACASA-N 1 0 376.411 1.849 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574930080 949103056 /nfs/dbraw/zinc/10/30/56/949103056.db2.gz JFQHHBPMCNUNAI-CYBMUJFWSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CCNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574695158 949105316 /nfs/dbraw/zinc/10/53/16/949105316.db2.gz CYWSIQDTMHSSDN-BDAKNGLRSA-N 1 0 384.897 1.235 20 0 GDADRO C[C@@H](CNC(=O)COCc1cccnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574930172 949105656 /nfs/dbraw/zinc/10/56/56/949105656.db2.gz JTFLAFKYMKXUBZ-AWEZNQCLSA-N 1 0 381.440 1.073 20 0 GDADRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccccc1-c1nn[nH]n1 ZINC001574093564 949111407 /nfs/dbraw/zinc/11/14/07/949111407.db2.gz SSVUSKIGCBDKSO-RDJZCZTQSA-N 1 0 384.484 1.967 20 0 GDADRO C[C@@H](CNC(=O)COCC(F)F)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574932257 949133166 /nfs/dbraw/zinc/13/31/66/949133166.db2.gz WTLJSTXDUPTNNR-JTQLQIEISA-N 1 0 386.378 1.224 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573783121 949140963 /nfs/dbraw/zinc/14/09/63/949140963.db2.gz RJURPYOLBFLBLB-ZIAGYGMSSA-N 1 0 399.503 1.370 20 0 GDADRO CC(C)c1ocnc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574446968 949150426 /nfs/dbraw/zinc/15/04/26/949150426.db2.gz CYCQRUSZXBDORA-OAHLLOKOSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574934564 949168184 /nfs/dbraw/zinc/16/81/84/949168184.db2.gz LDORYLYTFWNQIC-CYBMUJFWSA-N 1 0 384.415 1.679 20 0 GDADRO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001575252702 949169532 /nfs/dbraw/zinc/16/95/32/949169532.db2.gz GWWQQYMKPQPLLC-QWHCGFSZSA-N 1 0 387.463 1.939 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574934652 949171584 /nfs/dbraw/zinc/17/15/84/949171584.db2.gz NCFLITSJSSEYIP-CYBMUJFWSA-N 1 0 384.415 1.679 20 0 GDADRO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514759 949175514 /nfs/dbraw/zinc/17/55/14/949175514.db2.gz DUKOKHCJNKLUQX-OLZOCXBDSA-N 1 0 381.444 1.188 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1c[nH]cn1 ZINC001573787623 949187121 /nfs/dbraw/zinc/18/71/21/949187121.db2.gz ZRRKOODIRZINPS-XYPYZODXSA-N 1 0 386.485 1.366 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001575853262 949207390 /nfs/dbraw/zinc/20/73/90/949207390.db2.gz MVIXQBAFTBJIBU-UHFFFAOYSA-N 1 0 392.467 1.607 20 0 GDADRO C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574937785 949231292 /nfs/dbraw/zinc/23/12/92/949231292.db2.gz QPIZGMNGQVYWLD-JTQLQIEISA-N 1 0 387.469 1.631 20 0 GDADRO CC(C)c1oncc1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574451394 949233070 /nfs/dbraw/zinc/23/30/70/949233070.db2.gz OVHIZEUZHOABLE-OAHLLOKOSA-N 1 0 382.428 1.416 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574938117 949234174 /nfs/dbraw/zinc/23/41/74/949234174.db2.gz SKSWYAZQAYIXDA-JTQLQIEISA-N 1 0 375.433 1.299 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574699476 949238400 /nfs/dbraw/zinc/23/84/00/949238400.db2.gz VERXZUZSAVMCRH-STQMWFEESA-N 1 0 390.463 1.757 20 0 GDADRO C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575259137 949318816 /nfs/dbraw/zinc/31/88/16/949318816.db2.gz MKSBJJGYRINJJZ-HIFRSBDPSA-N 1 0 383.456 1.330 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(C)CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574703354 949323999 /nfs/dbraw/zinc/32/39/99/949323999.db2.gz UTUBPJNSKQDAGU-KZULUSFZSA-N 1 0 376.436 1.369 20 0 GDADRO CC1=C(C)C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575862142 949340321 /nfs/dbraw/zinc/34/03/21/949340321.db2.gz XZZKSIYDJLBWPI-QZTJIDSGSA-N 1 0 384.484 1.570 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001574458274 949343454 /nfs/dbraw/zinc/34/34/54/949343454.db2.gz RUWKOLXHSNCYLG-INIZCTEOSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574110099 949351249 /nfs/dbraw/zinc/35/12/49/949351249.db2.gz PTYMULZBRSUNMN-OAHLLOKOSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](NC(=O)C1CCC(O)CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575260646 949358930 /nfs/dbraw/zinc/35/89/30/949358930.db2.gz WQTLWNFJUCYYFI-DCBWTQNWSA-N 1 0 390.513 1.416 20 0 GDADRO CC(C)n1ccc(CC(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001574459604 949360197 /nfs/dbraw/zinc/36/01/97/949360197.db2.gz JTAYIWHYWLBGBZ-LBPRGKRZSA-N 1 0 388.501 1.543 20 0 GDADRO CC(C)n1ccc(C[NH2+]C2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC2)n1 ZINC001574459820 949367586 /nfs/dbraw/zinc/36/75/86/949367586.db2.gz LMBLTVYOWLETTQ-UHFFFAOYSA-N 1 0 383.460 1.415 20 0 GDADRO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC001575527772 949379095 /nfs/dbraw/zinc/37/90/95/949379095.db2.gz HFJWIBSCKXOSSZ-FUHIMQAGSA-N 1 0 382.468 1.469 20 0 GDADRO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575263524 949395846 /nfs/dbraw/zinc/39/58/46/949395846.db2.gz HGKAUDLCWQPIBQ-WDEREUQCSA-N 1 0 392.895 1.562 20 0 GDADRO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(-c3nn[nH]n3)cc2)CCOC1 ZINC001575528393 949401238 /nfs/dbraw/zinc/40/12/38/949401238.db2.gz UVLAATXJAYFTQS-FUHIMQAGSA-N 1 0 382.468 1.469 20 0 GDADRO CC(C)(C)C(=O)NCCC[NH+]1CCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573802346 949416601 /nfs/dbraw/zinc/41/66/01/949416601.db2.gz FQIUUTSSGSURGM-UHFFFAOYSA-N 1 0 385.516 1.537 20 0 GDADRO CC(C)n1cccc1C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574465134 949427600 /nfs/dbraw/zinc/42/76/00/949427600.db2.gz PKGSNOYQTDPMRI-UHFFFAOYSA-N 1 0 380.456 1.783 20 0 GDADRO CC(C)c1nccn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574949068 949481525 /nfs/dbraw/zinc/48/15/25/949481525.db2.gz QDQPLOQPOIXMCG-LBPRGKRZSA-N 1 0 388.501 1.543 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575538666 949528662 /nfs/dbraw/zinc/52/86/62/949528662.db2.gz IMMXCSLNPGTGQC-JXFKEZNVSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@]3(CCN(c4cc[nH+]cc4-c4nn[nH]n4)C3)C2)CCOC1 ZINC001575538906 949532634 /nfs/dbraw/zinc/53/26/34/949532634.db2.gz KXCNJLQUBLUDEI-RBUKOAKNSA-N 1 0 383.456 1.117 20 0 GDADRO CC(C)[C@H](C(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nn[nH]n2)s1)[NH+](C)C ZINC001574950430 949537657 /nfs/dbraw/zinc/53/76/57/949537657.db2.gz OMPQLJLAFYHIHY-RKDXNWHRSA-N 1 0 386.913 1.479 20 0 GDADRO C[C@H]1CCCN(C(=O)C(F)F)[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576163651 949538558 /nfs/dbraw/zinc/53/85/58/949538558.db2.gz CPDFRBBEXJBSIA-IINYFYTJSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575269201 949540353 /nfs/dbraw/zinc/54/03/53/949540353.db2.gz SBIWSIXWOJUGRT-UONOGXRCSA-N 1 0 385.472 1.288 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574955028 949563363 /nfs/dbraw/zinc/56/33/63/949563363.db2.gz AJYZXSZHXSETBF-LTUQZUHASA-N 1 0 382.468 1.227 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573810781 949576465 /nfs/dbraw/zinc/57/64/65/949576465.db2.gz CLQLNJXJOANZBO-ZFWWWQNUSA-N 1 0 375.477 1.498 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574956453 949578527 /nfs/dbraw/zinc/57/85/27/949578527.db2.gz IPFYFJDRJWPOMO-DOZNAXDZSA-N 1 0 386.431 1.024 20 0 GDADRO CC1(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CC1 ZINC001575544116 949579064 /nfs/dbraw/zinc/57/90/64/949579064.db2.gz AQVHNQHPDMXTBW-HNNXBMFYSA-N 1 0 388.447 1.513 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1nnc[nH]1 ZINC001573810994 949585511 /nfs/dbraw/zinc/58/55/11/949585511.db2.gz GKHSSAPUCPBMFZ-ZDUSSCGKSA-N 1 0 387.423 1.058 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cn1ccnc1 ZINC001573810957 949587125 /nfs/dbraw/zinc/58/71/25/949587125.db2.gz FZLDDKWIOKAHDZ-MRXNPFEDSA-N 1 0 382.472 1.384 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574713162 949599054 /nfs/dbraw/zinc/59/90/54/949599054.db2.gz WCYHKAUHXUGLOV-IUODEOHRSA-N 1 0 379.424 1.119 20 0 GDADRO C[C@@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576167235 949605340 /nfs/dbraw/zinc/60/53/40/949605340.db2.gz BGIVOEVCNQRSBR-HUUCEWRRSA-N 1 0 387.488 1.133 20 0 GDADRO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576167563 949608610 /nfs/dbraw/zinc/60/86/10/949608610.db2.gz QQEATHCGBZZPHD-RHSMWYFYSA-N 1 0 389.504 1.794 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCOC1 ZINC001573812153 949611944 /nfs/dbraw/zinc/61/19/44/949611944.db2.gz QIRHKUUFKOPBMY-YOEHRIQHSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@]1(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCOC1 ZINC001575546959 949619081 /nfs/dbraw/zinc/61/90/81/949619081.db2.gz UAWNIUHHJQPSQR-JXFKEZNVSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccn[nH]1 ZINC001573812787 949621465 /nfs/dbraw/zinc/62/14/65/949621465.db2.gz TYVNTLPCJCYUEM-HNNXBMFYSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576167988 949621940 /nfs/dbraw/zinc/62/19/40/949621940.db2.gz RVMUQGJJUDTSJW-VWPFQQQWSA-N 1 0 387.488 1.641 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cc[nH]n1 ZINC001573813263 949631587 /nfs/dbraw/zinc/63/15/87/949631587.db2.gz XQAYSRUIFVYKSZ-INIZCTEOSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(c2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001575272093 949634524 /nfs/dbraw/zinc/63/45/24/949634524.db2.gz NITXLWBBXZMRPQ-OLZOCXBDSA-N 1 0 390.467 1.074 20 0 GDADRO CC1(C(=O)N2CCO[C@@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCC1 ZINC001575547927 949648201 /nfs/dbraw/zinc/64/82/01/949648201.db2.gz KLVORNUUSVLCLN-HNNXBMFYSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574715406 949652539 /nfs/dbraw/zinc/65/25/39/949652539.db2.gz CACSFDMZDITZLW-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574715830 949671383 /nfs/dbraw/zinc/67/13/83/949671383.db2.gz KWEROKJMMKJJBZ-UKRRQHHQSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574958536 949681966 /nfs/dbraw/zinc/68/19/66/949681966.db2.gz KVINZNTZHOEUPM-PREXVCJDSA-N 1 0 388.447 1.510 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cc1cccnc1 ZINC001573817958 949710244 /nfs/dbraw/zinc/71/02/44/949710244.db2.gz CHDANPFRTXHXQY-MRXNPFEDSA-N 1 0 380.456 1.264 20 0 GDADRO C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1nccnc1-c1nn[nH]n1 ZINC001576170155 949710516 /nfs/dbraw/zinc/71/05/16/949710516.db2.gz JJXZMXVROOKSRD-ZIAGYGMSSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574960361 949725583 /nfs/dbraw/zinc/72/55/83/949725583.db2.gz WPJGTNXSYMINIU-JEBQAFNWSA-N 1 0 377.452 1.660 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575881786 949731618 /nfs/dbraw/zinc/73/16/18/949731618.db2.gz AWVKFXPTQFRBOK-CZUORRHYSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCCO1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574717472 949736360 /nfs/dbraw/zinc/73/63/60/949736360.db2.gz WAHBLAHYJWFWDN-SWLSCSKDSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001574479662 949740439 /nfs/dbraw/zinc/74/04/39/949740439.db2.gz FAZGGEDPLFPXNG-CQSZACIVSA-N 1 0 380.456 1.539 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574717732 949741741 /nfs/dbraw/zinc/74/17/41/949741741.db2.gz WUXWCODXSCYATD-CHWSQXEVSA-N 1 0 388.501 1.713 20 0 GDADRO C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576171010 949743610 /nfs/dbraw/zinc/74/36/10/949743610.db2.gz ONZIRWYTOCSALS-HOCLYGCPSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574717828 949747522 /nfs/dbraw/zinc/74/75/22/949747522.db2.gz QQBVTAGXEDESRH-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574136708 949748964 /nfs/dbraw/zinc/74/89/64/949748964.db2.gz PYSNGUXLUCNKLK-GJZGRUSLSA-N 1 0 389.504 1.590 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575882201 949755561 /nfs/dbraw/zinc/75/55/61/949755561.db2.gz HSQMWKZDLYRCNW-DYVFJYSZSA-N 1 0 381.440 1.567 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574718243 949771112 /nfs/dbraw/zinc/77/11/12/949771112.db2.gz ULOOFMDQOUQQFF-CHWSQXEVSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574718245 949772113 /nfs/dbraw/zinc/77/21/13/949772113.db2.gz ULOOFMDQOUQQFF-OLZOCXBDSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882727 949786186 /nfs/dbraw/zinc/78/61/86/949786186.db2.gz NOLQVRTVPDMUPP-TZMCWYRMSA-N 1 0 386.485 1.294 20 0 GDADRO CC(C)C[C@H](C)C[NH+]1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574138427 949787608 /nfs/dbraw/zinc/78/76/08/949787608.db2.gz CFXOJOPOHWUDLU-ZDUSSCGKSA-N 1 0 375.477 1.044 20 0 GDADRO C[C@@H](NC(=O)COCC1CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575282178 949828606 /nfs/dbraw/zinc/82/86/06/949828606.db2.gz IUSDHPSQIPKZIT-LLVKDONJSA-N 1 0 376.486 1.291 20 0 GDADRO C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575283643 949879830 /nfs/dbraw/zinc/87/98/30/949879830.db2.gz GIZLJWHJTTUGBD-RYUDHWBXSA-N 1 0 392.483 1.684 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cncnc2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576178430 949885949 /nfs/dbraw/zinc/88/59/49/949885949.db2.gz BFPOHJRAOHKORZ-KSSFIOAISA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H](CNC(=O)c1c(F)cncc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574968216 949891585 /nfs/dbraw/zinc/89/15/85/949891585.db2.gz NQKQZUIFGVTBBI-MRVPVSSYSA-N 1 0 379.396 1.510 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1cncnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574725271 949895338 /nfs/dbraw/zinc/89/53/38/949895338.db2.gz QVJKFMCGNOUUOK-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@H]1CCN(C(=O)C(F)F)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576178699 949899349 /nfs/dbraw/zinc/89/93/49/949899349.db2.gz IIXVFCAEHJEQLP-JQWIXIFHSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H](CC(=O)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001574484796 949902297 /nfs/dbraw/zinc/90/22/97/949902297.db2.gz OLJJWQZQVFUTTN-HIFRSBDPSA-N 1 0 385.472 1.149 20 0 GDADRO CC(C)C[C@H](C)C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001574144244 949904550 /nfs/dbraw/zinc/90/45/50/949904550.db2.gz MIQYNMQACRKFRM-AWEZNQCLSA-N 1 0 389.504 1.434 20 0 GDADRO C[C@@H](CC(=O)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001574484798 949906160 /nfs/dbraw/zinc/90/61/60/949906160.db2.gz OLJJWQZQVFUTTN-ZFWWWQNUSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1nccs1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574726018 949925377 /nfs/dbraw/zinc/92/53/77/949925377.db2.gz WUNLDFWVGHOHQY-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575285585 949954602 /nfs/dbraw/zinc/95/46/02/949954602.db2.gz PBFOAOAIGLFCBC-CABCVRRESA-N 1 0 384.488 1.079 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cc[nH]n2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576180807 949972351 /nfs/dbraw/zinc/97/23/51/949972351.db2.gz JBKCIORJKFQECA-GUYCJALGSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@H](NC(=O)CCn1cccc1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575286474 949983320 /nfs/dbraw/zinc/98/33/20/949983320.db2.gz XAYMFOMIEGWWPS-HNNXBMFYSA-N 1 0 379.468 1.695 20 0 GDADRO CC(C)(C)CC(=O)N1CCC[C@](CO)([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573831329 949992532 /nfs/dbraw/zinc/99/25/32/949992532.db2.gz VCNBACQONQCHOI-FQEVSTJZSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCCOC1 ZINC001575573733 950000697 /nfs/dbraw/zinc/00/06/97/950000697.db2.gz OKGXZHCDJZEFGJ-KSSFIOAISA-N 1 0 390.513 1.729 20 0 GDADRO C[C@@H](CC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574491129 950024822 /nfs/dbraw/zinc/02/48/22/950024822.db2.gz AAONVANHSJGRGW-NFOMZHRRSA-N 1 0 380.456 1.443 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ccnn1C ZINC001574150254 950024967 /nfs/dbraw/zinc/02/49/67/950024967.db2.gz AUTWLBBEKKYECE-GFCCVEGCSA-N 1 0 388.501 1.596 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCCO1 ZINC001574150270 950026271 /nfs/dbraw/zinc/02/62/71/950026271.db2.gz AWCKUXZFDTVUHT-OCCSQVGLSA-N 1 0 378.502 1.728 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccon1 ZINC001574150851 950042663 /nfs/dbraw/zinc/04/26/63/950042663.db2.gz FKZYWMJPHRUTCG-CQSZACIVSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@@H]1CCOC1 ZINC001574150887 950044155 /nfs/dbraw/zinc/04/41/55/950044155.db2.gz GGAUUUAOELZWMX-WMZOPIPTSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cn[nH]n1 ZINC001574150980 950050599 /nfs/dbraw/zinc/05/05/99/950050599.db2.gz IPDZPQQLWLIYTO-CYBMUJFWSA-N 1 0 387.423 1.058 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1CCCOC1 ZINC001574150978 950051709 /nfs/dbraw/zinc/05/17/09/950051709.db2.gz IMWHOATVYDNFPX-ROUUACIJSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H](O)C(C)C ZINC001574151153 950062445 /nfs/dbraw/zinc/06/24/45/950062445.db2.gz MCUGCPWPNBQDRI-NVXWUHKLSA-N 1 0 392.479 1.643 20 0 GDADRO CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCCCCC1 ZINC001575576536 950069000 /nfs/dbraw/zinc/06/90/00/950069000.db2.gz QMMSOBUKFOVLOV-MRXNPFEDSA-N 1 0 386.500 1.794 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCCO1 ZINC001574151371 950075111 /nfs/dbraw/zinc/07/51/11/950075111.db2.gz PZCLJQHEUHEBEA-RHSMWYFYSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C[C@H]1CCCOC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574151537 950085137 /nfs/dbraw/zinc/08/51/37/950085137.db2.gz USRJMOKZGWNUCL-HIFRSBDPSA-N 1 0 375.477 1.356 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2ccn(C)c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575893945 950092051 /nfs/dbraw/zinc/09/20/51/950092051.db2.gz BVVHCMLBRCXOMR-RDTXWAMCSA-N 1 0 379.468 1.988 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cnccn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575894583 950101249 /nfs/dbraw/zinc/10/12/49/950101249.db2.gz FJPXTQZVRRUTKS-CZUORRHYSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@@]1(C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575582497 950117513 /nfs/dbraw/zinc/11/75/13/950117513.db2.gz DNOIZHSBRSHYSF-QJXPYNDKSA-N 1 0 384.484 1.668 20 0 GDADRO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001574152737 950118189 /nfs/dbraw/zinc/11/81/89/950118189.db2.gz JAKLKJRWTXVXKC-GDBMZVCRSA-N 1 0 386.504 1.546 20 0 GDADRO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574153127 950131451 /nfs/dbraw/zinc/13/14/51/950131451.db2.gz NEAOKBCBACEFCY-OAHLLOKOSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001574978340 950134123 /nfs/dbraw/zinc/13/41/23/950134123.db2.gz RRPJCVNNOMCTER-JTQLQIEISA-N 1 0 375.383 1.424 20 0 GDADRO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574154051 950162375 /nfs/dbraw/zinc/16/23/75/950162375.db2.gz ZZOQJJQYGWMHGY-OAHLLOKOSA-N 1 0 386.504 1.689 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cnc(Cl)s1 ZINC001574737990 950164192 /nfs/dbraw/zinc/16/41/92/950164192.db2.gz AIPUMNQHIPPLDT-MRVPVSSYSA-N 1 0 380.865 1.555 20 0 GDADRO CC(C)Oc1cccc(C[NH2+][C@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001574982609 950174283 /nfs/dbraw/zinc/17/42/83/950174283.db2.gz FMAVICMMWNNUFM-CYBMUJFWSA-N 1 0 383.456 1.890 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cncs1 ZINC001575899879 950184527 /nfs/dbraw/zinc/18/45/27/950184527.db2.gz AMSSTNYDDJYLSB-YGRLFVJLSA-N 1 0 387.444 1.855 20 0 GDADRO CC(C)(C)CC[NH+]1CCC(CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573844360 950194268 /nfs/dbraw/zinc/19/42/68/950194268.db2.gz HOFOLICRFLTSBN-UHFFFAOYSA-N 1 0 375.477 1.188 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccco1 ZINC001574495210 950198441 /nfs/dbraw/zinc/19/84/41/950198441.db2.gz RNIDQBNBTPQVQL-NWDGAFQWSA-N 1 0 390.469 1.282 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(C3CC3)no2)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575901201 950223394 /nfs/dbraw/zinc/22/33/94/950223394.db2.gz MCVALCGEGQPQKA-ZWNOBZJWSA-N 1 0 382.428 1.453 20 0 GDADRO CC1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575586763 950224417 /nfs/dbraw/zinc/22/44/17/950224417.db2.gz JOIWKNLXDDQMEH-OAHLLOKOSA-N 1 0 384.484 1.622 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573845324 950224499 /nfs/dbraw/zinc/22/44/99/950224499.db2.gz WTVBMSMDWRAPFE-DOMZBBRYSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H]1CCN(C(=O)c2ncccn2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576192180 950226055 /nfs/dbraw/zinc/22/60/55/950226055.db2.gz KHHUYOJJQGZFES-HOCLYGCPSA-N 1 0 392.467 1.545 20 0 GDADRO CC(C)(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573845462 950229656 /nfs/dbraw/zinc/22/96/56/950229656.db2.gz ZRKXEGRFBDJERE-SFHVURJKSA-N 1 0 375.477 1.452 20 0 GDADRO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573845622 950236287 /nfs/dbraw/zinc/23/62/87/950236287.db2.gz JOASAUOYKYSHRJ-ZMSDIMECSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1cc[nH]n1 ZINC001575901819 950242007 /nfs/dbraw/zinc/24/20/07/950242007.db2.gz QFXCGHAECDQPHX-BZNIZROVSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCCC1 ZINC001574497974 950251563 /nfs/dbraw/zinc/25/15/63/950251563.db2.gz HKOQZLFTUXKPJR-HIFRSBDPSA-N 1 0 387.488 1.179 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)COCC1CC1 ZINC001575902284 950256514 /nfs/dbraw/zinc/25/65/14/950256514.db2.gz UHKJZTZKYINRFP-YVEFUNNKSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(F)(F)F ZINC001574498142 950259210 /nfs/dbraw/zinc/25/92/10/950259210.db2.gz KKIKVIYXZPVESM-ZYHUDNBSSA-N 1 0 386.378 1.022 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C[NH2+]CC1CCOCC1 ZINC001576192685 950262943 /nfs/dbraw/zinc/26/29/43/950262943.db2.gz PYHJYDNWJJAUTD-HIFRSBDPSA-N 1 0 387.488 1.309 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cccnn1 ZINC001575905088 950287915 /nfs/dbraw/zinc/28/79/15/950287915.db2.gz BDOMEJLTTMFCJI-XHDPSFHLSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)COC1CCCC1 ZINC001575905144 950289487 /nfs/dbraw/zinc/28/94/87/950289487.db2.gz BLSARXPIHAXNLK-KDOFPFPSSA-N 1 0 384.484 1.905 20 0 GDADRO C[C@@H](CC(=O)NC[C@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001574498858 950289835 /nfs/dbraw/zinc/28/98/35/950289835.db2.gz QLNIPQHWNMMUOB-VBKZILBWSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]nc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574742509 950292209 /nfs/dbraw/zinc/29/22/09/950292209.db2.gz MMZBSXZNECDKPK-SNVBAGLBSA-N 1 0 386.485 1.779 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccncc1 ZINC001575905182 950292356 /nfs/dbraw/zinc/29/23/56/950292356.db2.gz BVESJKJFKHFRMV-SJCJKPOMSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cc(Cl)no1 ZINC001575905484 950294175 /nfs/dbraw/zinc/29/41/75/950294175.db2.gz DDASOGYTXUQAKX-ZWNOBZJWSA-N 1 0 387.831 1.901 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575905772 950298177 /nfs/dbraw/zinc/29/81/77/950298177.db2.gz FHYFYCCCXSCJNN-ZYHUDNBSSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575905710 950298475 /nfs/dbraw/zinc/29/84/75/950298475.db2.gz DMBBPFFBVQIGGA-BONVTDFDSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cccn1 ZINC001574499458 950302792 /nfs/dbraw/zinc/30/27/92/950302792.db2.gz WAWZVHGIKAYDOA-CQSZACIVSA-N 1 0 380.456 1.453 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC001576193924 950316980 /nfs/dbraw/zinc/31/69/80/950316980.db2.gz WHKYLUOWVHQFGC-LBPRGKRZSA-N 1 0 382.465 1.405 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cnccn1 ZINC001575906892 950322827 /nfs/dbraw/zinc/32/28/27/950322827.db2.gz KJSCEFZEDTYENN-XHDPSFHLSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cncc(F)c1 ZINC001575907148 950326703 /nfs/dbraw/zinc/32/67/03/950326703.db2.gz LWKMPFLJRIUEGF-PXAZEXFGSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@]1(C(=O)NCCC2(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001575594468 950330812 /nfs/dbraw/zinc/33/08/12/950330812.db2.gz KEOFNSUONGETTB-IBGZPJMESA-N 1 0 384.484 1.669 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc[nH]n2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576194258 950331512 /nfs/dbraw/zinc/33/15/12/950331512.db2.gz YLDDPTRHGLUPER-CJNGLKHVSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@]1(C(=O)NCCC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575594509 950333489 /nfs/dbraw/zinc/33/34/89/950333489.db2.gz KMSCHECXTRRCON-GOSISDBHSA-N 1 0 385.472 1.199 20 0 GDADRO C[C@@H](CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1ccnc1 ZINC001574501489 950339060 /nfs/dbraw/zinc/33/90/60/950339060.db2.gz DWNBQCJPVCAJGN-AWEZNQCLSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)COC(C)(C)C ZINC001575907593 950340418 /nfs/dbraw/zinc/34/04/18/950340418.db2.gz PIFFSXDQILMIIG-LRDDRELGSA-N 1 0 390.463 1.900 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ccncc1F ZINC001575908622 950372251 /nfs/dbraw/zinc/37/22/51/950372251.db2.gz VUWAVISXVBLCRF-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cnccn1 ZINC001575908928 950383725 /nfs/dbraw/zinc/38/37/25/950383725.db2.gz XISSBKRSHIPEKE-ABAIWWIYSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H](CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001574502685 950388402 /nfs/dbraw/zinc/38/84/02/950388402.db2.gz PVXXHPZYMYVRFG-AWEZNQCLSA-N 1 0 380.456 1.263 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)n3)C[C@@H]2C1 ZINC001573856810 950396169 /nfs/dbraw/zinc/39/61/69/950396169.db2.gz JSACSTLAYXTAGQ-ZIAGYGMSSA-N 1 0 385.472 1.951 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001576197507 950396569 /nfs/dbraw/zinc/39/65/69/950396569.db2.gz PBWASVFTEKNOKX-CQSZACIVSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001576197977 950396995 /nfs/dbraw/zinc/39/69/95/950396995.db2.gz QFYZNVWTNHXJHR-CQSZACIVSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001574747115 950403546 /nfs/dbraw/zinc/40/35/46/950403546.db2.gz QXOPGTOEIMJJJA-CYBMUJFWSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cnc(Cl)s2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575909872 950410552 /nfs/dbraw/zinc/41/05/52/950410552.db2.gz ISVNMPBLDWKPFZ-KCJUWKMLSA-N 1 0 392.876 1.698 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(F)cc1F ZINC001574747742 950414487 /nfs/dbraw/zinc/41/44/87/950414487.db2.gz WQRKRYJCRINHKL-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575910469 950420399 /nfs/dbraw/zinc/42/03/99/950420399.db2.gz LBUHOBCZAIFQRY-ZBFHGGJFSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574750745 950440155 /nfs/dbraw/zinc/44/01/55/950440155.db2.gz GWTZPFZNNVVBDM-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575911196 950440436 /nfs/dbraw/zinc/44/04/36/950440436.db2.gz NGJDGURMAMUCMA-BBRMVZONSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576204315 950457417 /nfs/dbraw/zinc/45/74/17/950457417.db2.gz NVNCJGBQXAAGOF-NEPJUHHUSA-N 1 0 392.895 1.564 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573862495 950467019 /nfs/dbraw/zinc/46/70/19/950467019.db2.gz UCOCGAKBWFBYLM-JKSUJKDBSA-N 1 0 388.472 1.889 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ccccc1O ZINC001575912915 950470521 /nfs/dbraw/zinc/47/05/21/950470521.db2.gz RNGJHTHDWOZSFX-GUYCJALGSA-N 1 0 378.436 1.965 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1ncccn1 ZINC001575914765 950499092 /nfs/dbraw/zinc/49/90/92/950499092.db2.gz VVCNCHOGWCCPLT-YOEHRIQHSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Br)co1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574995660 950509080 /nfs/dbraw/zinc/50/90/80/950509080.db2.gz GENHKMMYDLHUSN-QMMMGPOBSA-N 1 0 392.217 1.270 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001573866732 950511970 /nfs/dbraw/zinc/51/19/70/950511970.db2.gz KLUKUMOBZDRMBY-UHFFFAOYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001576205389 950512045 /nfs/dbraw/zinc/51/20/45/950512045.db2.gz IITBTVKDNXWVSY-ZBFHGGJFSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@H](CNC(=O)c1cc(Br)c[nH]1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574995395 950512022 /nfs/dbraw/zinc/51/20/22/950512022.db2.gz FOOSTWTVFTYMKP-MRVPVSSYSA-N 1 0 391.233 1.005 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001576205388 950512501 /nfs/dbraw/zinc/51/25/01/950512501.db2.gz IITBTVKDNXWVSY-HOCLYGCPSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574996062 950518471 /nfs/dbraw/zinc/51/84/71/950518471.db2.gz KIVQZMHCIAZQAI-SNVBAGLBSA-N 1 0 390.398 1.778 20 0 GDADRO C[C@H](CC(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574509725 950525184 /nfs/dbraw/zinc/52/51/84/950525184.db2.gz WKFACSJIMGHKNZ-CQSZACIVSA-N 1 0 382.472 1.342 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753796 950546789 /nfs/dbraw/zinc/54/67/89/950546789.db2.gz SMCLHPPNZSSCNV-GFCCVEGCSA-N 1 0 378.440 1.529 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573869959 950579959 /nfs/dbraw/zinc/57/99/59/950579959.db2.gz SMVDMZRLRFMCOQ-AWEZNQCLSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)on1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574999455 950580241 /nfs/dbraw/zinc/58/02/41/950580241.db2.gz KELOHBKYIQTXFR-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO CC1(C)C(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1(C)C ZINC001575618206 950607329 /nfs/dbraw/zinc/60/73/29/950607329.db2.gz HXZGJXAEGGBRDQ-LBPRGKRZSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@H](CN(C)C(=O)c1cccc2c1OCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574758419 950612323 /nfs/dbraw/zinc/61/23/23/950612323.db2.gz CMDAGQQYSZAXCU-GFCCVEGCSA-N 1 0 379.424 1.191 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)C(F)(F)F ZINC001574515202 950624231 /nfs/dbraw/zinc/62/42/31/950624231.db2.gz BYIYBIXDAWVUPW-GJTWSCIVSA-N 1 0 381.362 1.401 20 0 GDADRO C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575001236 950628921 /nfs/dbraw/zinc/62/89/21/950628921.db2.gz IXBOZHVVPKACPW-LLVKDONJSA-N 1 0 385.497 1.995 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[C@H]1CCCO1 ZINC001574516192 950631705 /nfs/dbraw/zinc/63/17/05/950631705.db2.gz GKDLKCLVXJSKCE-VTGNEUPOSA-N 1 0 383.456 1.018 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1ccnc1 ZINC001574516375 950638627 /nfs/dbraw/zinc/63/86/27/950638627.db2.gz IARKLSIYHSWKKI-KBRIMQKVSA-N 1 0 380.456 1.451 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)C1CC1 ZINC001574518749 950662060 /nfs/dbraw/zinc/66/20/60/950662060.db2.gz QWPAGDJQYCDGSM-GLCQIGPWSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccsn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574761152 950691659 /nfs/dbraw/zinc/69/16/59/950691659.db2.gz RGHSGSORXNIJAT-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO CC1(C)CC(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCOCC2)C1 ZINC001575628823 950728996 /nfs/dbraw/zinc/72/89/96/950728996.db2.gz HVHVYHCZPHFEEZ-UHFFFAOYSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926983 950731622 /nfs/dbraw/zinc/73/16/22/950731622.db2.gz NBVACXYTDAASFY-GWCFXTLKSA-N 1 0 380.412 1.264 20 0 GDADRO CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)[nH]n1 ZINC001573880117 950742592 /nfs/dbraw/zinc/74/25/92/950742592.db2.gz SNNSMIJIOKIRFW-PHIMTYICSA-N 1 0 381.444 1.077 20 0 GDADRO CC(C)n1cc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001574764500 950752384 /nfs/dbraw/zinc/75/23/84/950752384.db2.gz UKLYAOQMCCFSMF-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575928085 950774015 /nfs/dbraw/zinc/77/40/15/950774015.db2.gz YLBFHFLXZIUZPC-GWCFXTLKSA-N 1 0 380.412 1.264 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cscn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574765249 950781629 /nfs/dbraw/zinc/78/16/29/950781629.db2.gz GXZPGHAGHOWVBH-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1CCOCC1 ZINC001574521802 950783515 /nfs/dbraw/zinc/78/35/15/950783515.db2.gz HTMOWZHLLKQRQX-QWHCGFSZSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)C(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576218366 950788116 /nfs/dbraw/zinc/78/81/16/950788116.db2.gz LOMOAPUFEHSRBF-QRWLVFNGSA-N 1 0 384.484 1.715 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001575009805 950799383 /nfs/dbraw/zinc/79/93/83/950799383.db2.gz WYLSJNPDSHDLKQ-IAQYHMDHSA-N 1 0 383.431 1.977 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCc1ccon1 ZINC001574523140 950808312 /nfs/dbraw/zinc/80/83/12/950808312.db2.gz MHPWBTIIOGEVEA-KBPBESRZSA-N 1 0 383.456 1.860 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnsn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574766161 950809394 /nfs/dbraw/zinc/80/93/94/950809394.db2.gz KYLYDZHCDSXAHS-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CC(C)(C)O ZINC001574523484 950819873 /nfs/dbraw/zinc/81/98/73/950819873.db2.gz OBSZKYRLIIOJIC-RYUDHWBXSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1c[nH]cn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574523900 950841415 /nfs/dbraw/zinc/84/14/15/950841415.db2.gz RXSIHOXRXJLWPG-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1CCOCC1 ZINC001574524139 950846897 /nfs/dbraw/zinc/84/68/97/950846897.db2.gz UCMVEIGPDJCAHK-STQMWFEESA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncoc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574767635 950860776 /nfs/dbraw/zinc/86/07/76/950860776.db2.gz PKHDJYHRCBZYMP-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1ccon1 ZINC001574524737 950873000 /nfs/dbraw/zinc/87/30/00/950873000.db2.gz ZAGJHQUCTTXVKD-NWDGAFQWSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)CCC[NH+](C)C ZINC001575935082 950873330 /nfs/dbraw/zinc/87/33/30/950873330.db2.gz UZXBBCFHSKDPSL-RISCZKNCSA-N 1 0 392.895 1.658 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1=CCOCC1 ZINC001574524838 950874123 /nfs/dbraw/zinc/87/41/23/950874123.db2.gz ZPLZDSHHZLNJRI-QWHCGFSZSA-N 1 0 388.447 1.725 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576226482 950885234 /nfs/dbraw/zinc/88/52/34/950885234.db2.gz BSIDZVROLYNKQN-IUODEOHRSA-N 1 0 390.513 1.681 20 0 GDADRO CC(C)CCCC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001574189574 950888603 /nfs/dbraw/zinc/88/86/03/950888603.db2.gz NYDMFUGFIJEBFK-UHFFFAOYSA-N 1 0 387.488 1.587 20 0 GDADRO CC(C)(C)n1cc(C[NH2+]CC=CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC001573893906 950911262 /nfs/dbraw/zinc/91/12/62/950911262.db2.gz BKRVTFPODYEZOX-PLNGDYQASA-N 1 0 383.460 1.222 20 0 GDADRO C[C@H](C[N@H+](C)CCOc1cccc(F)c1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574771453 950922106 /nfs/dbraw/zinc/92/21/06/950922106.db2.gz FBWYFABICFDFAY-GFCCVEGCSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnns1 ZINC001574528882 950940843 /nfs/dbraw/zinc/94/08/43/950940843.db2.gz ONRINXLLWGJJBK-VHSXEESVSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[N@H+](C)CCOc1cccc(F)c1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574771815 950944066 /nfs/dbraw/zinc/94/40/66/950944066.db2.gz KTEOWGCABRRPNF-GFCCVEGCSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1CC(F)(F)C1 ZINC001574771917 950946548 /nfs/dbraw/zinc/94/65/48/950946548.db2.gz MVAHXDZNKJAVQS-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO CC1(C)C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001575642598 950947861 /nfs/dbraw/zinc/94/78/61/950947861.db2.gz VXTBSMLXRHPTCL-DZGCQCFKSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574529649 950956861 /nfs/dbraw/zinc/95/68/61/950956861.db2.gz RJTJOKMUPUYLBL-CHWSQXEVSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(C2CC2)no1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574530328 950977657 /nfs/dbraw/zinc/97/76/57/950977657.db2.gz BUMIKHSTZAXKIY-WDEREUQCSA-N 1 0 384.444 1.747 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001575938584 950986193 /nfs/dbraw/zinc/98/61/93/950986193.db2.gz LNHYOHJNGKNMKZ-YJBOKZPZSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cnccn1 ZINC001574530567 950989450 /nfs/dbraw/zinc/98/94/50/950989450.db2.gz VRXOEUOGENQFMZ-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001575938793 950991674 /nfs/dbraw/zinc/99/16/74/950991674.db2.gz NFQUJBFNSNQXJN-CVEARBPZSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnn(C)c1 ZINC001574530741 950994969 /nfs/dbraw/zinc/99/49/69/950994969.db2.gz WMBOGKJIUZRWAW-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1n[nH]cc1F ZINC001574774023 950996206 /nfs/dbraw/zinc/99/62/06/950996206.db2.gz BFWUAUKOADYBFA-SECBINFHSA-N 1 0 376.371 1.118 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnn(C)c1 ZINC001574530740 950998310 /nfs/dbraw/zinc/99/83/10/950998310.db2.gz WMBOGKJIUZRWAW-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001575019164 951034893 /nfs/dbraw/zinc/03/48/93/951034893.db2.gz SLKXHGLIWZFDAQ-UWVGGRQHSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575021533 951064351 /nfs/dbraw/zinc/06/43/51/951064351.db2.gz CURZJYXOMCPQBP-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575024389 951102018 /nfs/dbraw/zinc/10/20/18/951102018.db2.gz CRXDMZQXFDVVLN-GFCCVEGCSA-N 1 0 379.424 1.451 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575024723 951112551 /nfs/dbraw/zinc/11/25/51/951112551.db2.gz LLZCXBZXCMAHOK-AWEZNQCLSA-N 1 0 379.468 1.841 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001575035038 951264597 /nfs/dbraw/zinc/26/45/97/951264597.db2.gz FWYSYCINZHJRNM-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575042400 951363480 /nfs/dbraw/zinc/36/34/80/951363480.db2.gz JEKWQNPNSJENOT-NSHDSACASA-N 1 0 388.501 1.693 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)nc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575042567 951366040 /nfs/dbraw/zinc/36/60/40/951366040.db2.gz AGBGGNJMNUQHCQ-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575042881 951372644 /nfs/dbraw/zinc/37/26/44/951372644.db2.gz CSFPRLFTROVMFV-GFCCVEGCSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@@H](CNC(=O)c1cncnc1C1CC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575045397 951428328 /nfs/dbraw/zinc/42/83/28/951428328.db2.gz BONSBVQTNZDLFM-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575047152 951452238 /nfs/dbraw/zinc/45/22/38/951452238.db2.gz XZSHZJYOOGUWDP-NSHDSACASA-N 1 0 384.419 1.057 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cn1 ZINC001575051980 951457678 /nfs/dbraw/zinc/45/76/78/951457678.db2.gz CPVPTECWAFCHFW-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575052393 951464607 /nfs/dbraw/zinc/46/46/07/951464607.db2.gz IEVJELNHJWWIGD-GFCCVEGCSA-N 1 0 381.444 1.083 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)cn1 ZINC001575052566 951467995 /nfs/dbraw/zinc/46/79/95/951467995.db2.gz LYFIKQSGIZOYRG-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575052571 951468615 /nfs/dbraw/zinc/46/86/15/951468615.db2.gz MECXEUCZRNLMJK-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)cn1 ZINC001575052627 951469373 /nfs/dbraw/zinc/46/93/73/951469373.db2.gz MTNTWCODJREMSR-GFCCVEGCSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@@H](CNC(=O)c1cnoc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575053724 951484225 /nfs/dbraw/zinc/48/42/25/951484225.db2.gz DEYPWVDJFSRCGP-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CC2CC2)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575055301 951502283 /nfs/dbraw/zinc/50/22/83/951502283.db2.gz PYKFGKDHQCKCDO-CYBMUJFWSA-N 1 0 380.456 1.381 20 0 GDADRO C[C@H](CNC(=O)c1cnn2c1CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575055375 951503554 /nfs/dbraw/zinc/50/35/54/951503554.db2.gz RWNGDMTUUSBUQE-CYBMUJFWSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)c1cnsn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575055315 951504378 /nfs/dbraw/zinc/50/43/78/951504378.db2.gz QDRZZQGAVHZFHG-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CCF)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575055516 951507492 /nfs/dbraw/zinc/50/74/92/951507492.db2.gz WCCOBLKKTGDGMQ-ZDUSSCGKSA-N 1 0 386.435 1.283 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C(F)F)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575064806 951578271 /nfs/dbraw/zinc/57/82/71/951578271.db2.gz DIIIQCFUCBJQLE-MRVPVSSYSA-N 1 0 378.343 1.087 20 0 GDADRO C[C@H](CNC(=O)c1noc2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067252 951606467 /nfs/dbraw/zinc/60/64/67/951606467.db2.gz PNGZSBVVMSDWHA-GFCCVEGCSA-N 1 0 381.440 1.642 20 0 GDADRO C[C@H](CNC(=O)Cc1cncs1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077215 951663845 /nfs/dbraw/zinc/66/38/45/951663845.db2.gz AQZIVIYLSFYUJW-NSHDSACASA-N 1 0 389.460 1.547 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575077857 951676105 /nfs/dbraw/zinc/67/61/05/951676105.db2.gz IZRXBRVXPSFBEI-XJKSGUPXSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCn1cccc1 ZINC001575077848 951676238 /nfs/dbraw/zinc/67/62/38/951676238.db2.gz IWYADOAYDVXXDZ-AWEZNQCLSA-N 1 0 385.447 1.834 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)COC1CCCC1 ZINC001575078457 951681205 /nfs/dbraw/zinc/68/12/05/951681205.db2.gz LTABNBOBLZYLDB-ZDUSSCGKSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)[C@]1(C)CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078432 951681630 /nfs/dbraw/zinc/68/16/30/951681630.db2.gz LNIMTYHMPRYZNU-KPZWWZAWSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@](C[NH2+]CCC[C@H]1CCOC1)(NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001575078591 951682518 /nfs/dbraw/zinc/68/25/18/951682518.db2.gz KXACPYLOFBMSRF-ORAYPTAESA-N 1 0 387.488 1.500 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575079502 951693060 /nfs/dbraw/zinc/69/30/60/951693060.db2.gz QDCMIPAVBYYXBZ-STQMWFEESA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)C=Cc1ccc[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079574 951694343 /nfs/dbraw/zinc/69/43/43/951694343.db2.gz ROOHZLMKADDREW-IYNGYCSASA-N 1 0 383.431 1.889 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC1OCCCO1 ZINC001575079907 951698814 /nfs/dbraw/zinc/69/88/14/951698814.db2.gz STVMFEZLPNFODC-LBPRGKRZSA-N 1 0 392.435 1.095 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cc(F)ccc1F ZINC001575081166 951719826 /nfs/dbraw/zinc/71/98/26/951719826.db2.gz PCFZLDNSDAENMG-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575081860 951727586 /nfs/dbraw/zinc/72/75/86/951727586.db2.gz SNZBYARMQJURKW-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(O)ccc1Cl)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575082148 951730508 /nfs/dbraw/zinc/73/05/08/951730508.db2.gz UYEACVYGZBPUSH-JTQLQIEISA-N 1 0 389.847 1.804 20 0 GDADRO C[C@H](CNC(=O)c1ccsn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575082195 951731167 /nfs/dbraw/zinc/73/11/67/951731167.db2.gz VLJHRAFWQAIOMP-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001575082376 951734752 /nfs/dbraw/zinc/73/47/52/951734752.db2.gz XWICRDSPKZTUBA-BZNIZROVSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082956 951740215 /nfs/dbraw/zinc/74/02/15/951740215.db2.gz ZWNOHXUEEZLTDN-KGLIPLIRSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)COc1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088497 951740241 /nfs/dbraw/zinc/74/02/41/951740241.db2.gz AIHUSWXUNCISSL-CQSZACIVSA-N 1 0 381.440 1.183 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089026 951745671 /nfs/dbraw/zinc/74/56/71/951745671.db2.gz COTPDDBYBWETBS-CYBMUJFWSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089469 951749500 /nfs/dbraw/zinc/74/95/00/951749500.db2.gz FYVQXSREGVZRNG-UONOGXRCSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CCn1cccn1 ZINC001575090653 951761540 /nfs/dbraw/zinc/76/15/40/951761540.db2.gz KZNJMXDZKGDRPX-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@H](CNC(=O)c1cc(F)c[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090670 951763313 /nfs/dbraw/zinc/76/33/13/951763313.db2.gz NDQINRFRAKBNAK-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575090956 951766962 /nfs/dbraw/zinc/76/69/62/951766962.db2.gz ONNCSKFOQKYUBQ-QGZVFWFLSA-N 1 0 386.485 1.199 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1csc(=O)[nH]1 ZINC001575091218 951771943 /nfs/dbraw/zinc/77/19/43/951771943.db2.gz QETMHEIEIYJCGA-SECBINFHSA-N 1 0 391.432 1.418 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1Cc2cccnc2C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091982 951787498 /nfs/dbraw/zinc/78/74/98/951787498.db2.gz WZAWBHWNFHBDBC-RDTXWAMCSA-N 1 0 391.479 1.519 20 0 GDADRO C[C@@H](CNC(=O)c1cn2cccnc2n1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093801 951800231 /nfs/dbraw/zinc/80/02/31/951800231.db2.gz KSRGTXWKFSMKKE-CYBMUJFWSA-N 1 0 391.439 1.065 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C1(F)CCOCC1 ZINC001575094807 951807067 /nfs/dbraw/zinc/80/70/67/951807067.db2.gz PQUUHPHNAYTCCI-ZDUSSCGKSA-N 1 0 376.436 1.322 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1ccnn1C ZINC001575094721 951807254 /nfs/dbraw/zinc/80/72/54/951807254.db2.gz OAESSQIHRWMUFT-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnc2n1CCC2 ZINC001575095079 951809762 /nfs/dbraw/zinc/80/97/62/951809762.db2.gz QZKGIOFQKVPYIF-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnc2n[nH]cc2c1 ZINC001575095508 951812473 /nfs/dbraw/zinc/81/24/73/951812473.db2.gz VEBMKBGKGCVNEX-GFCCVEGCSA-N 1 0 391.439 1.388 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575095780 951815441 /nfs/dbraw/zinc/81/54/41/951815441.db2.gz WOLUSQLEEDOKOX-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)c1conc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096073 951817091 /nfs/dbraw/zinc/81/70/91/951817091.db2.gz YYYNKMWRKYBKQE-LBPRGKRZSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099611 951837206 /nfs/dbraw/zinc/83/72/06/951837206.db2.gz OBWOZWAXLDVQJF-GXTWGEPZSA-N 1 0 390.513 1.587 20 0 GDADRO C[C@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099777 951840137 /nfs/dbraw/zinc/84/01/37/951840137.db2.gz OKRGQMHRAWYLKJ-QWHCGFSZSA-N 1 0 378.502 1.729 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)no1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099786 951840344 /nfs/dbraw/zinc/84/03/44/951840344.db2.gz ONLLPTFXGXPRCP-MRVPVSSYSA-N 1 0 381.849 1.725 20 0 GDADRO CC(C)n1ccc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001575101364 951858329 /nfs/dbraw/zinc/85/83/29/951858329.db2.gz CHRKIGNWJOYTAT-LBPRGKRZSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1ncccc1F ZINC001575101735 951863284 /nfs/dbraw/zinc/86/32/84/951863284.db2.gz IZOVJOJVAYJSJT-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103833 951876969 /nfs/dbraw/zinc/87/69/69/951876969.db2.gz WJSFBZSXQGVXDV-ZFWWWQNUSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)CCc1nccs1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104092 951882070 /nfs/dbraw/zinc/88/20/70/951882070.db2.gz BGZHYLUEAYALHT-CYBMUJFWSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001575104268 951883515 /nfs/dbraw/zinc/88/35/15/951883515.db2.gz YULYSIHLYYRQGE-DWQUBVKVSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)COCC(F)F ZINC001575104883 951890100 /nfs/dbraw/zinc/89/01/00/951890100.db2.gz GACTXHXCRTVSMU-JTQLQIEISA-N 1 0 386.378 1.224 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1cccc(=O)[nH]1 ZINC001575105409 951894135 /nfs/dbraw/zinc/89/41/35/951894135.db2.gz JBWGFTPIUQCBJL-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO CC(C)n1cc(C(=O)N(C)[C@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001575107150 951913400 /nfs/dbraw/zinc/91/34/00/951913400.db2.gz ABKSCVDNCADLPN-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)COc1cccnc1 ZINC001575109776 951933122 /nfs/dbraw/zinc/93/31/22/951933122.db2.gz VFYFJZMNIAVHKC-CQSZACIVSA-N 1 0 381.440 1.277 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110256 951937117 /nfs/dbraw/zinc/93/71/17/951937117.db2.gz YVXWLYKMSYFFLS-APHBMKBZSA-N 1 0 380.456 1.235 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCc2cccnc21)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114516 951956566 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DKMGBAVZYYRWDQ-GOSISDBHSA-N 1 0 382.403 1.228 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575145619 952187560 /nfs/dbraw/zinc/18/75/60/952187560.db2.gz BFNLQZMBIHSGKF-SECBINFHSA-N 1 0 391.357 1.674 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575145993 952190499 /nfs/dbraw/zinc/19/04/99/952190499.db2.gz FIBQVSHLJXCSNR-VHDGCEQUSA-N 1 0 378.440 1.141 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001575148153 952202436 /nfs/dbraw/zinc/20/24/36/952202436.db2.gz YEMDPXAGNHAWQI-LLVKDONJSA-N 1 0 377.412 1.133 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001575165852 952315777 /nfs/dbraw/zinc/31/57/77/952315777.db2.gz WQMNJCUVXOXOQS-GFCCVEGCSA-N 1 0 390.467 1.534 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC(=O)[O-])CC2)C12CCOCC2 ZINC001602902549 971825988 /nfs/dbraw/zinc/82/59/88/971825988.db2.gz BUUIHJOPXUUICK-CVEARBPZSA-N 1 0 397.516 1.587 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575188555 952448452 /nfs/dbraw/zinc/44/84/52/952448452.db2.gz JKJWSFHCVVOFDN-QWHCGFSZSA-N 1 0 383.431 1.618 20 0 GDADRO C[C@]12CN(C(=O)[C@H]3CC3(F)F)C[C@H]1CN(c1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571115579 952469397 /nfs/dbraw/zinc/46/93/97/952469397.db2.gz YIZACZMIFOWONQ-SIVJFFJCSA-N 1 0 375.383 1.202 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001575195394 952472135 /nfs/dbraw/zinc/47/21/35/952472135.db2.gz ASKBPOILQHJLAT-RRFJBIMHSA-N 1 0 395.467 1.922 20 0 GDADRO CN(C(=O)c1cncs1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571118767 952489819 /nfs/dbraw/zinc/48/98/19/952489819.db2.gz ZTIYCMMJCGNSTB-UHFFFAOYSA-N 1 0 375.483 1.778 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCC1(F)F ZINC001571120050 952498346 /nfs/dbraw/zinc/49/83/46/952498346.db2.gz IPOCHJIQQSAQFF-HUUCEWRRSA-N 1 0 376.411 1.993 20 0 GDADRO O=C([C@H]1CCC1(F)F)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571120072 952498768 /nfs/dbraw/zinc/49/87/68/952498768.db2.gz IYWFUUKCIBXYRF-HUUCEWRRSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575201459 952503944 /nfs/dbraw/zinc/50/39/44/952503944.db2.gz PMKXSEVSGQQOQN-NEPJUHHUSA-N 1 0 386.435 1.202 20 0 GDADRO O=C(NCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@H]1CC1(F)F ZINC001571120770 952508693 /nfs/dbraw/zinc/50/86/93/952508693.db2.gz QXWUNPJDMCEQGQ-OAHLLOKOSA-N 1 0 376.411 1.850 20 0 GDADRO O=C(c1csnn1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571123437 952530560 /nfs/dbraw/zinc/53/05/60/952530560.db2.gz RZHVRUWTWRIJLH-VIFPVBQESA-N 1 0 376.471 1.032 20 0 GDADRO C[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001575207045 952532376 /nfs/dbraw/zinc/53/23/76/952532376.db2.gz NJANZUNRJKDNDD-ZDUSSCGKSA-N 1 0 381.488 1.922 20 0 GDADRO CO[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571123701 952532517 /nfs/dbraw/zinc/53/25/17/952532517.db2.gz UMYYOIGJWOSHPR-OLZOCXBDSA-N 1 0 376.436 1.321 20 0 GDADRO CO[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571123700 952532932 /nfs/dbraw/zinc/53/29/32/952532932.db2.gz UMYYOIGJWOSHPR-CHWSQXEVSA-N 1 0 376.436 1.321 20 0 GDADRO Cc1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)ccn1 ZINC001571127017 952549125 /nfs/dbraw/zinc/54/91/25/952549125.db2.gz CPQLRMOPPOUTGL-AWEZNQCLSA-N 1 0 377.452 1.820 20 0 GDADRO CC(F)(F)C(=O)N1CCCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575211965 952551107 /nfs/dbraw/zinc/55/11/07/952551107.db2.gz CSHVNKHZCMZRCN-AWEZNQCLSA-N 1 0 380.399 1.229 20 0 GDADRO O=C(NCc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001571127318 952554210 /nfs/dbraw/zinc/55/42/10/952554210.db2.gz CUKMXTDPOASLNA-KRWDZBQOSA-N 1 0 377.452 1.790 20 0 GDADRO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571127326 952554284 /nfs/dbraw/zinc/55/42/84/952554284.db2.gz DETYGADDYLBNTP-MRXNPFEDSA-N 1 0 377.452 1.822 20 0 GDADRO Cc1ccncc1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC001571127917 952561798 /nfs/dbraw/zinc/56/17/98/952561798.db2.gz MRWJFFQIARKNIE-YOEHRIQHSA-N 1 0 377.452 1.963 20 0 GDADRO C[C@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)Cc2ccccc2)C1 ZINC001571128434 952567380 /nfs/dbraw/zinc/56/73/80/952567380.db2.gz RXRINPOXFVFRGL-HXUWFJFHSA-N 1 0 377.452 1.577 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575215074 952567906 /nfs/dbraw/zinc/56/79/06/952567906.db2.gz SLOHCLJOYQPCDI-PHIMTYICSA-N 1 0 379.415 1.672 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)nn1 ZINC001571134644 952592643 /nfs/dbraw/zinc/59/26/43/952592643.db2.gz JDEWYHRAHPSPQW-IYBDPMFKSA-N 1 0 378.440 1.324 20 0 GDADRO Cc1cc(N2CCC3(C[C@@H]3NC(=O)c3ccc[nH]3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134587 952592999 /nfs/dbraw/zinc/59/29/99/952592999.db2.gz HLPBSSGKDHLIHJ-INIZCTEOSA-N 1 0 378.440 1.687 20 0 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Cc1nnccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571140514 952626372 /nfs/dbraw/zinc/62/63/72/952626372.db2.gz BRVVDQOBUWTSNN-OAHLLOKOSA-N 1 0 378.440 1.360 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)c2cccnc2)C1 ZINC001571140653 952627593 /nfs/dbraw/zinc/62/75/93/952627593.db2.gz DPEHROINCNZJOQ-INIZCTEOSA-N 1 0 379.424 1.275 20 0 GDADRO Cc1ccc([C@@H](C)C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)o1 ZINC001571141226 952631766 /nfs/dbraw/zinc/63/17/66/952631766.db2.gz IRMPJJDKKLITEI-CVGURMSBSA-N 1 0 379.424 1.518 20 0 GDADRO O=C(N[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C12CCC2)c1cnco1 ZINC001571141265 952632922 /nfs/dbraw/zinc/63/29/22/952632922.db2.gz JHMMKUPYRNCMGK-JKSUJKDBSA-N 1 0 379.424 1.686 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1ncoc1C1CC1 ZINC001571142036 952637718 /nfs/dbraw/zinc/63/77/18/952637718.db2.gz OEPGTVNICZISAB-CQSZACIVSA-N 1 0 379.424 1.736 20 0 GDADRO 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O=C(N[C@@]12CCC[C@H]1[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)CC2)C(F)F ZINC001571152668 952683995 /nfs/dbraw/zinc/68/39/95/952683995.db2.gz JSPRUKSCGSIKMT-CXAGYDPISA-N 1 0 380.374 1.884 20 0 GDADRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(F)F)C2)cc1-c1nn[nH]n1 ZINC001571154862 952690834 /nfs/dbraw/zinc/69/08/34/952690834.db2.gz CNFFUAYJBZBKDP-ZWNOBZJWSA-N 1 0 380.399 1.467 20 0 GDADRO CC(C)(F)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571155339 952696112 /nfs/dbraw/zinc/69/61/12/952696112.db2.gz OOAVGLRBPAINNL-GFCCVEGCSA-N 1 0 380.399 1.071 20 0 GDADRO Cc1n[nH]cc1C(=O)N1[C@@H]2CC[C@H]1CN(c1cc(C)[nH+]cc1-c1nn[nH]n1)C2 ZINC001571156524 952702200 /nfs/dbraw/zinc/70/22/00/952702200.db2.gz CRGCJRQOADIEMC-BETUJISGSA-N 1 0 379.428 1.095 20 0 GDADRO Cc1cc(N(C)[C@H]2CCCN(C(=O)c3cnccn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571158087 952710289 /nfs/dbraw/zinc/71/02/89/952710289.db2.gz QRSFQKNXDHUCQN-ZDUSSCGKSA-N 1 0 379.428 1.101 20 0 GDADRO CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571166263 952759580 /nfs/dbraw/zinc/75/95/80/952759580.db2.gz KYZMLFGBRTYKHN-KRWDZBQOSA-N 1 0 380.456 1.478 20 0 GDADRO O=C(N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@@]1(F)CCOC1 ZINC001571166515 952762370 /nfs/dbraw/zinc/76/23/70/952762370.db2.gz MQLLKODUYPWFRS-BDJLRTHQSA-N 1 0 380.449 1.137 20 0 GDADRO CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c(C)n1 ZINC001571166747 952764031 /nfs/dbraw/zinc/76/40/31/952764031.db2.gz PRTKFIOJVHVVHA-HNNXBMFYSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1cc(C)n(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571169369 952772174 /nfs/dbraw/zinc/77/21/74/952772174.db2.gz AUBRJIROFRLUKB-INIZCTEOSA-N 1 0 380.456 1.071 20 0 GDADRO CCn1ccnc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169337 952772373 /nfs/dbraw/zinc/77/23/73/952772373.db2.gz AAMYWVYGOSYAID-KOMQPUFPSA-N 1 0 380.456 1.381 20 0 GDADRO CCn1cc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571169452 952773267 /nfs/dbraw/zinc/77/32/67/952773267.db2.gz CWWVJFUYICTVSD-QGZVFWFLSA-N 1 0 380.456 1.016 20 0 GDADRO Cc1cc(N[C@H]2CC[C@H](NC(=O)Cc3ccc[nH]3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169518 952775051 /nfs/dbraw/zinc/77/50/51/952775051.db2.gz FMGGBWRPXPXHTN-HDJSIYSDSA-N 1 0 380.456 1.402 20 0 GDADRO CCn1cccc1C(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571169650 952776987 /nfs/dbraw/zinc/77/69/87/952776987.db2.gz JLSNNNYRMGUUIF-ZFWWWQNUSA-N 1 0 380.456 1.516 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C[C@@H]1C ZINC001571169832 952779439 /nfs/dbraw/zinc/77/94/39/952779439.db2.gz OVOLIILPRSTHEB-SWLSCSKDSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571169911 952780891 /nfs/dbraw/zinc/78/08/91/952780891.db2.gz QGTFAAUEEBZFNR-JKSUJKDBSA-N 1 0 380.456 1.587 20 0 GDADRO Cn1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571170042 952783180 /nfs/dbraw/zinc/78/31/80/952783180.db2.gz RBTXBDJDMOKICR-QGZVFWFLSA-N 1 0 380.456 1.337 20 0 GDADRO CN(CC[NH+](C)C)C(=O)c1cccc(CNc2ncccc2-c2nn[nH]n2)c1 ZINC001571170535 952786630 /nfs/dbraw/zinc/78/66/30/952786630.db2.gz WCNQQZYYNUTAMW-UHFFFAOYSA-N 1 0 380.456 1.507 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001571170525 952787179 /nfs/dbraw/zinc/78/71/79/952787179.db2.gz VVUJGRQRUAPPQH-QGZVFWFLSA-N 1 0 380.456 1.186 20 0 GDADRO Cc1nccn1CC(=O)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571171732 952796657 /nfs/dbraw/zinc/79/66/57/952796657.db2.gz FKGGGOWQLIIWPS-UHFFFAOYSA-N 1 0 380.456 1.152 20 0 GDADRO O=C(CCn1cccc1)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571172221 952804638 /nfs/dbraw/zinc/80/46/38/952804638.db2.gz PTMRJXDGEJWSCX-OAHLLOKOSA-N 1 0 380.456 1.226 20 0 GDADRO Cn1nccc1C(=O)NC1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571172382 952807268 /nfs/dbraw/zinc/80/72/68/952807268.db2.gz UIJNHKCJMGFYDR-UHFFFAOYSA-N 1 0 380.456 1.431 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)C1C=CC=CC=C1 ZINC001571172385 952807302 /nfs/dbraw/zinc/80/73/02/952807302.db2.gz URRVVZBSPPRRBI-QLPKVWCKSA-N 1 0 380.477 1.773 20 0 GDADRO O=C(CCc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571172834 952810141 /nfs/dbraw/zinc/81/01/41/952810141.db2.gz YSNACJGNIFIDHY-MRXNPFEDSA-N 1 0 380.456 1.303 20 0 GDADRO CN(C(=O)c1cccnc1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571178181 952836258 /nfs/dbraw/zinc/83/62/58/952836258.db2.gz APMABSNIYKZKEB-UHFFFAOYSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ccncc2)CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571178399 952840892 /nfs/dbraw/zinc/84/08/92/952840892.db2.gz HPSODLINYHZLJD-PXAZEXFGSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1NC(=O)c1ccccn1 ZINC001571178526 952841715 /nfs/dbraw/zinc/84/17/15/952841715.db2.gz LXKWJBPIWQIFKS-SJKOYZFVSA-N 1 0 381.415 1.651 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)[C@@H](C)C2)o1 ZINC001571179216 952850841 /nfs/dbraw/zinc/85/08/41/952850841.db2.gz ACNFPWSCRXGOAQ-GTNSWQLSSA-N 1 0 381.440 1.395 20 0 GDADRO Cc1conc1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571179597 952854461 /nfs/dbraw/zinc/85/44/61/952854461.db2.gz GMYIWOJINFTDCL-AWEZNQCLSA-N 1 0 381.440 1.757 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)c(C)o1 ZINC001571180984 952861607 /nfs/dbraw/zinc/86/16/07/952861607.db2.gz SIKYFRLVKXQSEL-HNNXBMFYSA-N 1 0 381.440 1.866 20 0 GDADRO Cc1noc(C)c1C(=O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571181398 952863948 /nfs/dbraw/zinc/86/39/48/952863948.db2.gz WCWILUXHHRKFJO-UHFFFAOYSA-N 1 0 381.440 1.820 20 0 GDADRO Cc1cnoc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571181737 952864146 /nfs/dbraw/zinc/86/41/46/952864146.db2.gz XRLHBLAGHXAVES-HNNXBMFYSA-N 1 0 381.440 1.948 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571181835 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LVTSBNFRXYTGDP-GFCCVEGCSA-N 1 0 382.428 1.341 20 0 GDADRO Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571201092 953015093 /nfs/dbraw/zinc/01/50/93/953015093.db2.gz JQVITKFTBSKNIG-HZPDHXFCSA-N 1 0 382.428 1.370 20 0 GDADRO Cc1ncc(CC(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571201390 953017395 /nfs/dbraw/zinc/01/73/95/953017395.db2.gz LTFADCLRJDIFFI-ZDUSSCGKSA-N 1 0 382.428 1.194 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1)c1n[nH]cc1F ZINC001571202425 953025322 /nfs/dbraw/zinc/02/53/22/953025322.db2.gz WOYUWKJEDUUFMQ-UGFHNGPFSA-N 1 0 382.403 1.264 20 0 GDADRO Cc1cc(NC[C@@H]2CCN(C(=O)c3ccon3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571202593 953026866 /nfs/dbraw/zinc/02/68/66/953026866.db2.gz VNZYJWNCOIEYBX-AAEUAGOBSA-N 1 0 382.428 1.190 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC001571210630 953072711 /nfs/dbraw/zinc/07/27/11/953072711.db2.gz UYWSDXJREITKJY-GOSISDBHSA-N 1 0 382.468 1.984 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001571210628 953072754 /nfs/dbraw/zinc/07/27/54/953072754.db2.gz UYEPMOUGCVNZSK-VDMKFOLZSA-N 1 0 382.468 1.086 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CC1CC(NC(=O)[C@H]2CC23CC3)C1 ZINC001571210818 953075552 /nfs/dbraw/zinc/07/55/52/953075552.db2.gz XMTXWMQRPNSTHF-VDSRIPIWSA-N 1 0 382.468 1.660 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1cc[nH]c(=O)c1 ZINC001571217367 953107931 /nfs/dbraw/zinc/10/79/31/953107931.db2.gz JESMRFQOOLOWEW-HDJSIYSDSA-N 1 0 383.387 1.157 20 0 GDADRO COc1nc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571219927 953127352 /nfs/dbraw/zinc/12/73/52/953127352.db2.gz TXTWXNRIWZXCIW-CQSZACIVSA-N 1 0 383.412 1.210 20 0 GDADRO Cn1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)c1 ZINC001571229405 953169046 /nfs/dbraw/zinc/16/90/46/953169046.db2.gz DLWJFWXMBIXXLL-MRXNPFEDSA-N 1 0 383.431 1.739 20 0 GDADRO O=C(CCn1cccc1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571230060 953173556 /nfs/dbraw/zinc/17/35/56/953173556.db2.gz RRHYZZNTDOJBSK-HNNXBMFYSA-N 1 0 383.431 1.588 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)c(C)[nH]1 ZINC001571230300 953175945 /nfs/dbraw/zinc/17/59/45/953175945.db2.gz UDWGSEUPDGLXDY-CQSZACIVSA-N 1 0 383.431 1.955 20 0 GDADRO CCc1[nH]ccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571230330 953176085 /nfs/dbraw/zinc/17/60/85/953176085.db2.gz VQBILHXDOLBOII-OKILXGFUSA-N 1 0 383.431 1.947 20 0 GDADRO CC[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nn[nH]n4)C[C@H]32)O1 ZINC001571231126 953183603 /nfs/dbraw/zinc/18/36/03/953183603.db2.gz SZGCJVCYFKOJCN-YIUHCBHRSA-N 1 0 383.456 1.079 20 0 GDADRO CCn1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571233248 953190812 /nfs/dbraw/zinc/19/08/12/953190812.db2.gz PYWHJDNNDWTQDF-OLZOCXBDSA-N 1 0 383.460 1.052 20 0 GDADRO Cc1cc(NC2CC(N(C)C(=O)Cc3cccs3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233862 953196585 /nfs/dbraw/zinc/19/65/85/953196585.db2.gz GHYSLYRATIWFNZ-UHFFFAOYSA-N 1 0 383.481 1.698 20 0 GDADRO Cn1nccc1C[NH2+][C@H]1CCCCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571233903 953196818 /nfs/dbraw/zinc/19/68/18/953196818.db2.gz HLLAGBVVGJPGKA-AWEZNQCLSA-N 1 0 383.460 1.103 20 0 GDADRO Cc1nscc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233914 953197063 /nfs/dbraw/zinc/19/70/63/953197063.db2.gz HQOXMESTVUGYBK-OAHLLOKOSA-N 1 0 383.481 1.978 20 0 GDADRO Cc1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)ccn1 ZINC001571234019 953198189 /nfs/dbraw/zinc/19/81/89/953198189.db2.gz KTGCPSSGWYIHDR-LBPRGKRZSA-N 1 0 383.481 1.882 20 0 GDADRO Cn1nccc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571234332 953201285 /nfs/dbraw/zinc/20/12/85/953201285.db2.gz UMNPCCBXEGYJSL-WFASDCNBSA-N 1 0 383.460 1.007 20 0 GDADRO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@@H]3C2)cs1 ZINC001571234397 953201541 /nfs/dbraw/zinc/20/15/41/953201541.db2.gz WDHJMNVZGPLRCS-CZUORRHYSA-N 1 0 383.481 1.911 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]21)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571235175 953209513 /nfs/dbraw/zinc/20/95/13/953209513.db2.gz VZTCTIRFSQRXLG-VIKVFOODSA-N 1 0 383.843 1.708 20 0 GDADRO Cc1nc[nH]c1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC001571238907 953234109 /nfs/dbraw/zinc/23/41/09/953234109.db2.gz BYOAVXCGTYKBSF-QMTHXVAHSA-N 1 0 384.419 1.430 20 0 GDADRO Cc1c[nH]c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)n1 ZINC001571239233 953237267 /nfs/dbraw/zinc/23/72/67/953237267.db2.gz ICJNQDZGDRVAQP-MEBBXXQBSA-N 1 0 384.419 1.288 20 0 GDADRO CCN(C(=O)c1ncc[nH]1)[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239236 953237545 /nfs/dbraw/zinc/23/75/45/953237545.db2.gz IFXDWORGMPLISF-AWEZNQCLSA-N 1 0 384.419 1.466 20 0 GDADRO Cc1[nH]nc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)c1C ZINC001571239419 953239057 /nfs/dbraw/zinc/23/90/57/953239057.db2.gz LDIWXLYJULVMSE-CQSZACIVSA-N 1 0 384.419 1.350 20 0 GDADRO O=C(Cc1ccco1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571240062 953245481 /nfs/dbraw/zinc/24/54/81/953245481.db2.gz YRVNJIBWJGKRQC-CQSZACIVSA-N 1 0 384.415 1.780 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1cn[nH]c1 ZINC001571241462 953246433 /nfs/dbraw/zinc/24/64/33/953246433.db2.gz ABVSBPSEUBOGTN-UONOGXRCSA-N 1 0 384.419 1.560 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)nn1 ZINC001571244755 953266741 /nfs/dbraw/zinc/26/67/41/953266741.db2.gz HNISPRJEYQFOMY-AAEUAGOBSA-N 1 0 384.469 1.419 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC001571245835 953277514 /nfs/dbraw/zinc/27/75/14/953277514.db2.gz ZXFOQHAWIYTTLG-ZDUSSCGKSA-N 1 0 384.469 1.312 20 0 GDADRO O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cncs1)C2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571247805 953286209 /nfs/dbraw/zinc/28/62/09/953286209.db2.gz FKZHUVRXXVCQBR-DRZSPHRISA-N 1 0 384.469 1.434 20 0 GDADRO Cc1nc(CCC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cs1 ZINC001571247885 953287050 /nfs/dbraw/zinc/28/70/50/953287050.db2.gz HFSLHPLCDUGCQZ-LBPRGKRZSA-N 1 0 384.469 1.094 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)CO1 ZINC001571247845 953287305 /nfs/dbraw/zinc/28/73/05/953287305.db2.gz GCAGMKBVJRFDHJ-BVPBIZIASA-N 1 0 384.484 1.809 20 0 GDADRO CC[C@@H](OC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571247993 953288414 /nfs/dbraw/zinc/28/84/14/953288414.db2.gz KMQDUGGBJTXUJL-YLJYHZDGSA-N 1 0 384.484 1.716 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571248324 953292588 /nfs/dbraw/zinc/29/25/88/953292588.db2.gz QKCITCAMWAYHJM-MSOLQXFVSA-N 1 0 384.484 1.887 20 0 GDADRO CC1(C)CN(C(=O)[C@H]2CCCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571248488 953294173 /nfs/dbraw/zinc/29/41/73/953294173.db2.gz VNDULRWQNVNSKS-DLBZAZTESA-N 1 0 384.484 1.620 20 0 GDADRO CC1(C)CN(C(=O)[C@@H]2CCCOC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571248491 953294216 /nfs/dbraw/zinc/29/42/16/953294216.db2.gz VNDULRWQNVNSKS-SJORKVTESA-N 1 0 384.484 1.620 20 0 GDADRO Cc1noc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571248599 953295451 /nfs/dbraw/zinc/29/54/51/953295451.db2.gz HKFDUMVZVLALPT-OLZOCXBDSA-N 1 0 384.444 1.488 20 0 GDADRO C[C@@H]1CO[C@@H](C(=O)N2CCC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001571248729 953297377 /nfs/dbraw/zinc/29/73/77/953297377.db2.gz YJCLNCFSQHDVLZ-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571249894 953306727 /nfs/dbraw/zinc/30/67/27/953306727.db2.gz MCIWQCOURIPPGB-RVKKMQEKSA-N 1 0 384.484 1.620 20 0 GDADRO O=C(CC1CCOCC1)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571250248 953308833 /nfs/dbraw/zinc/30/88/33/953308833.db2.gz PAQOMKBBLIOWFX-UHFFFAOYSA-N 1 0 384.484 1.718 20 0 GDADRO Cc1cnc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571251200 953315450 /nfs/dbraw/zinc/31/54/50/953315450.db2.gz SGKXJBNWUGYIAT-CHWSQXEVSA-N 1 0 384.444 1.694 20 0 GDADRO Cc1cc(C[N@H+](C)CC2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)on1 ZINC001571251714 953318160 /nfs/dbraw/zinc/31/81/60/953318160.db2.gz UYWKAVLCTCYIEP-UHFFFAOYSA-N 1 0 384.444 1.475 20 0 GDADRO O=C(CC[NH+]1CCCCC1)N1CCC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571251829 953320500 /nfs/dbraw/zinc/32/05/00/953320500.db2.gz ARVLDUPEJVMKCQ-INIZCTEOSA-N 1 0 384.488 1.541 20 0 GDADRO Cc1nc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571251858 953320968 /nfs/dbraw/zinc/32/09/68/953320968.db2.gz BFMFWTNQTKZCQV-ZBFHGGJFSA-N 1 0 384.488 1.092 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCC(CCNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571251976 953322106 /nfs/dbraw/zinc/32/21/06/953322106.db2.gz DLTJARKFLQSNMH-UHFFFAOYSA-N 1 0 384.488 1.398 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252059 953322795 /nfs/dbraw/zinc/32/27/95/953322795.db2.gz GHAOZQHDYLXBBI-JKSUJKDBSA-N 1 0 384.488 1.221 20 0 GDADRO Cc1nc(N[C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)ccc1-c1nn[nH]n1 ZINC001571252120 953324400 /nfs/dbraw/zinc/32/44/00/953324400.db2.gz HWZKRJPJVDTSMK-ZFWWWQNUSA-N 1 0 384.488 1.315 20 0 GDADRO O=C(c1cocn1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571253884 953335209 /nfs/dbraw/zinc/33/52/09/953335209.db2.gz ANNJDAVDGCRIIZ-AWEZNQCLSA-N 1 0 385.403 1.778 20 0 GDADRO O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cocn1 ZINC001571254015 953336005 /nfs/dbraw/zinc/33/60/05/953336005.db2.gz CIADZXFGZFVZBD-BXUZGUMPSA-N 1 0 385.403 1.682 20 0 GDADRO Cc1conc1C(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571254854 953343454 /nfs/dbraw/zinc/34/34/54/953343454.db2.gz LFDSJSDNOFJKHX-UHFFFAOYSA-N 1 0 385.403 1.697 20 0 GDADRO Cc1ncoc1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001571255675 953351825 /nfs/dbraw/zinc/35/18/25/953351825.db2.gz RXEKGNDUTXNTAU-HZMBPMFUSA-N 1 0 385.403 1.695 20 0 GDADRO Cc1cnoc1C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571255689 953354060 /nfs/dbraw/zinc/35/40/60/953354060.db2.gz SAECGWITWDTCRF-UHFFFAOYSA-N 1 0 385.403 1.695 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)c3ccc(F)cc3F)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571256248 953366970 /nfs/dbraw/zinc/36/69/70/953366970.db2.gz TWKGXBXIEMGZHU-GFCCVEGCSA-N 1 0 385.378 1.857 20 0 GDADRO C[C@H](CCNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)[NH+](C)Cc1ccccc1 ZINC001592513437 978346636 /nfs/dbraw/zinc/34/66/36/978346636.db2.gz PSEUMWDLPOIAOR-SJLPKXTDSA-N 1 0 376.501 1.555 20 0 GDADRO C[C@@H](CCNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)[NH+](C)Cc1ccccc1 ZINC001592513436 978346726 /nfs/dbraw/zinc/34/67/26/978346726.db2.gz PSEUMWDLPOIAOR-FUHWJXTLSA-N 1 0 376.501 1.555 20 0 GDADRO CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)[NH+]1CCc2ccccc2C1 ZINC001595147520 979627954 /nfs/dbraw/zinc/62/79/54/979627954.db2.gz SVAUOUMLAFAJFO-RBUKOAKNSA-N 1 0 388.512 1.481 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH+](CCC(=O)[O-])C[C@H]1C ZINC001594542226 986181284 /nfs/dbraw/zinc/18/12/84/986181284.db2.gz GYXUFTSSCIHHHT-ZHALLVOQSA-N 1 0 388.512 1.697 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001589397506 986539094 /nfs/dbraw/zinc/53/90/94/986539094.db2.gz FGYHGIGXANMYKI-JOCLIGHLSA-N 1 0 385.508 1.808 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C[C@H]1C[NH+](C)C ZINC001598246104 991001561 /nfs/dbraw/zinc/00/15/61/991001561.db2.gz GLWRPUYFMDVNQM-VXGBXAGGSA-N 1 0 384.427 1.866 20 0 GDADRO C[NH+](C)Cc1ccc(C[NH2+]CCn2cc(C(=O)[O-])nn2)c2c1OC(F)(F)O2 ZINC001598252465 991032168 /nfs/dbraw/zinc/03/21/68/991032168.db2.gz HFULEQBGMZMUNX-UHFFFAOYSA-N 1 0 383.355 1.149 20 0 GDADRO 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Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000116350688 1126076378 /nfs/dbraw/zinc/07/63/78/1126076378.db2.gz UGNCLKLTVCYLCA-QGZVFWFLSA-N 1 0 383.496 1.740 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2OC)cc1 ZINC000931601627 1126135708 /nfs/dbraw/zinc/13/57/08/1126135708.db2.gz SNNAXZHZQJUPKC-IBGZPJMESA-N 1 0 378.494 1.687 20 0 GDADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CCOCCO)CC1 ZINC000008674648 530549496 /nfs/dbraw/zinc/54/94/96/530549496.db2.gz KHOUZEMMJLEKAW-UHFFFAOYSA-N 1 0 383.297 1.309 20 0 GDADRO CN1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000162276581 530567429 /nfs/dbraw/zinc/56/74/29/530567429.db2.gz WFSBDBCWUBHQTE-QWHCGFSZSA-N 1 0 385.295 1.448 20 0 GDADRO C[C@H](CNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)[NH+]1CCC(C)CC1 ZINC000162430969 530567757 /nfs/dbraw/zinc/56/77/57/530567757.db2.gz CURTVJWTEUZMDC-LLVKDONJSA-N 1 0 391.896 1.977 20 0 GDADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000162517834 530568777 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COC1(C(=O)N2CCN(c3ccc(Br)cn3)CC2)CC[NH2+]CC1 ZINC000164789633 530579915 /nfs/dbraw/zinc/57/99/15/530579915.db2.gz DOFGCDGKUCSBAO-UHFFFAOYSA-N 1 0 383.290 1.261 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000029093607 530593858 /nfs/dbraw/zinc/59/38/58/530593858.db2.gz CKYRRJWNNDBVTJ-UHFFFAOYSA-N 1 0 385.917 1.751 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000171508210 530599839 /nfs/dbraw/zinc/59/98/39/530599839.db2.gz GMVGYPILZKZDTI-LBPRGKRZSA-N 1 0 379.404 1.146 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)s1 ZINC000172519346 530613911 /nfs/dbraw/zinc/61/39/11/530613911.db2.gz ZLYYDQOBNIHAGC-UHFFFAOYSA-N 1 0 386.543 1.555 20 0 GDADRO CCS(=O)(=O)N1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000026310875 530584454 /nfs/dbraw/zinc/58/44/54/530584454.db2.gz UUPOHVGMRXFEEK-AWEZNQCLSA-N 1 0 388.559 1.464 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000041912484 530625182 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C[C@H](CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[NH+]1CCCC1 ZINC000063733223 530747449 /nfs/dbraw/zinc/74/74/49/530747449.db2.gz POKPRAAMIOCZQE-LLVKDONJSA-N 1 0 394.269 1.646 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000181177526 530779491 /nfs/dbraw/zinc/77/94/91/530779491.db2.gz NZBXRQIJBHUKHK-DGCLKSJQSA-N 1 0 381.278 1.553 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068133572 530783801 /nfs/dbraw/zinc/78/38/01/530783801.db2.gz HKORAKZRDLWSGF-HUUCEWRRSA-N 1 0 385.555 1.892 20 0 GDADRO CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000066664876 530765760 /nfs/dbraw/zinc/76/57/60/530765760.db2.gz QRWZHMAXOAGPLL-GJZGRUSLSA-N 1 0 376.906 1.231 20 0 GDADRO CC(C)(COc1ncccc1Br)[NH2+]CCC(=O)N1CCOCC1 ZINC000180396397 530766027 /nfs/dbraw/zinc/76/60/27/530766027.db2.gz REWIHKUMSVYETF-UHFFFAOYSA-N 1 0 386.290 1.840 20 0 GDADRO CCS(=O)(=O)NCC[NH2+]C(C)(C)COc1ncccc1Br ZINC000180395163 530766111 /nfs/dbraw/zinc/76/61/11/530766111.db2.gz AJFFQALUIVIRRB-UHFFFAOYSA-N 1 0 380.308 1.530 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000180444001 530766795 /nfs/dbraw/zinc/76/67/95/530766795.db2.gz LYXPZTLVPIPZKW-UHFFFAOYSA-N 1 0 380.539 1.988 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+](C)C2CC2)c(C)c1NS(C)(=O)=O ZINC000066870917 530767791 /nfs/dbraw/zinc/76/77/91/530767791.db2.gz BDXNWVVLZUIGDD-UHFFFAOYSA-N 1 0 389.543 1.356 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000069502730 530797830 /nfs/dbraw/zinc/79/78/30/530797830.db2.gz DHQGCKDPRWPWTO-CYBMUJFWSA-N 1 0 389.905 1.552 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000070925091 530803167 /nfs/dbraw/zinc/80/31/67/530803167.db2.gz WOUYQHHXBPLVKH-UHFFFAOYSA-N 1 0 375.441 1.140 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000182740183 530804292 /nfs/dbraw/zinc/80/42/92/530804292.db2.gz PUQIJSGQNLXCIN-UKRRQHHQSA-N 1 0 388.917 1.719 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000068498559 530788992 /nfs/dbraw/zinc/78/89/92/530788992.db2.gz WXSJKPVKSNLTNY-UHFFFAOYSA-N 1 0 383.290 1.374 20 0 GDADRO NC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000181947082 530793002 /nfs/dbraw/zinc/79/30/02/530793002.db2.gz PPTOGPYRJGMDRB-CQSZACIVSA-N 1 0 384.274 1.648 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000069141056 530795346 /nfs/dbraw/zinc/79/53/46/530795346.db2.gz QDJOVKBWMLECJM-NSHDSACASA-N 1 0 376.272 1.887 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000184311129 530827057 /nfs/dbraw/zinc/82/70/57/530827057.db2.gz IDBDLEVNGXSPAK-UHFFFAOYSA-N 1 0 381.782 1.992 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000184338036 530827339 /nfs/dbraw/zinc/82/73/39/530827339.db2.gz SYCMOAZEWJBTJQ-UHFFFAOYSA-N 1 0 385.711 1.695 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Br)cc1F ZINC000184504637 530828915 /nfs/dbraw/zinc/82/89/15/530828915.db2.gz CXICVINMEWPCPI-LLVKDONJSA-N 1 0 394.310 1.502 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085717 530808119 /nfs/dbraw/zinc/80/81/19/530808119.db2.gz YSFMYFYEEBNKAB-UHFFFAOYSA-N 1 0 378.885 1.967 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(C)CCCC[NH+](C)C)c1 ZINC000085295787 530808707 /nfs/dbraw/zinc/80/87/07/530808707.db2.gz COZCIUBKGNBEHW-UHFFFAOYSA-N 1 0 376.544 1.669 20 0 GDADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000183197155 530811399 /nfs/dbraw/zinc/81/13/99/530811399.db2.gz SQJKZUYAFFCNPP-INIZCTEOSA-N 1 0 386.539 1.254 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183195690 530811445 /nfs/dbraw/zinc/81/14/45/530811445.db2.gz VYGPCUVJEVKEOB-SNVBAGLBSA-N 1 0 382.258 1.852 20 0 GDADRO Cc1ccc(O)c(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)n1 ZINC000093393346 530813348 /nfs/dbraw/zinc/81/33/48/530813348.db2.gz SLKYXJSFSKKSDG-UHFFFAOYSA-N 1 0 381.420 1.884 20 0 GDADRO COCCN(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000096980974 530818749 /nfs/dbraw/zinc/81/87/49/530818749.db2.gz ZAJDPGDVYXWOOK-XJKSGUPXSA-N 1 0 388.917 1.653 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1cncc(Br)c1)N1CCSCC1 ZINC000183703876 530819498 /nfs/dbraw/zinc/81/94/98/530819498.db2.gz JTTISBJDTMNTTJ-UHFFFAOYSA-N 1 0 380.333 1.312 20 0 GDADRO O=C(Cn1cc(C[NH2+]C2CC2)nn1)Nc1ccccc1I ZINC000097526642 530821201 /nfs/dbraw/zinc/82/12/01/530821201.db2.gz OEONAVOACBMMJS-UHFFFAOYSA-N 1 0 397.220 1.773 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000183924047 530821957 /nfs/dbraw/zinc/82/19/57/530821957.db2.gz KUVXYGGSRCIAFM-ZDUSSCGKSA-N 1 0 398.301 1.232 20 0 GDADRO COc1cc(C[NH2+][C@]2(CO)CCOC2)cc(I)c1OC ZINC000184184770 530825488 /nfs/dbraw/zinc/82/54/88/530825488.db2.gz QNWLRHQWXICJJE-AWEZNQCLSA-N 1 0 393.221 1.549 20 0 GDADRO CC[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)CC[N@@H+]1C[C@@H](C)O ZINC000106102855 530846577 /nfs/dbraw/zinc/84/65/77/530846577.db2.gz TXJIUOUVYSPQCL-TZMCWYRMSA-N 1 0 385.306 1.560 20 0 GDADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000185868157 530847834 /nfs/dbraw/zinc/84/78/34/530847834.db2.gz NZAPDCNHNWOTEB-MRXNPFEDSA-N 1 0 381.885 1.216 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000106895403 530851816 /nfs/dbraw/zinc/85/18/16/530851816.db2.gz DTGJIWHQFXTXMZ-NSHDSACASA-N 1 0 396.340 1.916 20 0 GDADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000107302965 530853716 /nfs/dbraw/zinc/85/37/16/530853716.db2.gz BRAZLLHHZUKSSU-LBPRGKRZSA-N 1 0 381.420 1.589 20 0 GDADRO CC(C)(CC(N)=O)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000186224626 530853739 /nfs/dbraw/zinc/85/37/39/530853739.db2.gz YXKBHQZNGJKWMD-UHFFFAOYSA-N 1 0 375.210 1.473 20 0 GDADRO OC[C@@H]1C[C@H](O)C[N@@H+]1CCCOc1cccc(I)c1 ZINC000186532361 530857165 /nfs/dbraw/zinc/85/71/65/530857165.db2.gz VFLMIKOLLPLRKM-STQMWFEESA-N 1 0 377.222 1.488 20 0 GDADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000109149980 530861955 /nfs/dbraw/zinc/86/19/55/530861955.db2.gz IUXYCWGSDUVQOZ-UHFFFAOYSA-N 1 0 382.511 1.382 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000110658836 530869027 /nfs/dbraw/zinc/86/90/27/530869027.db2.gz MCXMAIYQMFGVRL-UHFFFAOYSA-N 1 0 381.523 1.860 20 0 GDADRO CNC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000111264975 530872595 /nfs/dbraw/zinc/87/25/95/530872595.db2.gz ZLLDLEURAOHTNQ-NSHDSACASA-N 1 0 388.331 1.927 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000185330885 530840129 /nfs/dbraw/zinc/84/01/29/530840129.db2.gz KNEYIWJZQNEWMT-CYBMUJFWSA-N 1 0 375.922 1.653 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000185343460 530840587 /nfs/dbraw/zinc/84/05/87/530840587.db2.gz OYZSSVLKRBSYND-LLVKDONJSA-N 1 0 381.329 1.693 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000185341950 530840875 /nfs/dbraw/zinc/84/08/75/530840875.db2.gz SQMCIXBCIBLEFR-LBPRGKRZSA-N 1 0 380.436 1.405 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CCN(C(C)=O)CC2)s1 ZINC000105431412 530842344 /nfs/dbraw/zinc/84/23/44/530842344.db2.gz PCMMHYUGRDEEEI-UHFFFAOYSA-N 1 0 387.571 1.922 20 0 GDADRO CC[N@H+](C)CCNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000105570314 530843222 /nfs/dbraw/zinc/84/32/22/530843222.db2.gz LKNHHJMLBJRYIB-UHFFFAOYSA-N 1 0 381.278 1.985 20 0 GDADRO CC[N@H+](C)CCNC(=O)CNC(=O)c1ccccc1I ZINC000115159648 530898344 /nfs/dbraw/zinc/89/83/44/530898344.db2.gz KYLITXLMEJQDAP-UHFFFAOYSA-N 1 0 389.237 1.089 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)/C=C/c2csc(Br)c2)CC1 ZINC000116172586 530903488 /nfs/dbraw/zinc/90/34/88/530903488.db2.gz PJVAXYRQUQOMDJ-ONEGZZNKSA-N 1 0 386.315 1.756 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116900565 530909775 /nfs/dbraw/zinc/90/97/75/530909775.db2.gz LENLOPOCVMKKPX-LBPRGKRZSA-N 1 0 393.303 1.409 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000187731033 530877560 /nfs/dbraw/zinc/87/75/60/530877560.db2.gz MLDSYCLPHADIMF-UHFFFAOYSA-N 1 0 384.274 1.949 20 0 GDADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000112403994 530880933 /nfs/dbraw/zinc/88/09/33/530880933.db2.gz PPGZZBRMILEOAG-UONOGXRCSA-N 1 0 384.318 1.969 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CSc1nnnn1CC(F)(F)F ZINC000113198100 530886922 /nfs/dbraw/zinc/88/69/22/530886922.db2.gz DDAJGEKAUUHGTD-NSHDSACASA-N 1 0 380.440 1.708 20 0 GDADRO Cc1cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c(C)cc1Br ZINC000188204122 530888769 /nfs/dbraw/zinc/88/87/69/530888769.db2.gz SGXILFXGCWQGBW-UHFFFAOYSA-N 1 0 390.347 1.592 20 0 GDADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)C1CCOCC1 ZINC000188251875 530890269 /nfs/dbraw/zinc/89/02/69/530890269.db2.gz PTHDEEKTAWAWPK-HNNXBMFYSA-N 1 0 376.544 1.674 20 0 GDADRO O=C(C[N@H+]1CC[C@H](O)C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000113502946 530890747 /nfs/dbraw/zinc/89/07/47/530890747.db2.gz QSVMTGDMANFYDE-LBPRGKRZSA-N 1 0 388.331 1.221 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000188296559 530890870 /nfs/dbraw/zinc/89/08/70/530890870.db2.gz BSGVREDVLJPAKM-UHFFFAOYSA-N 1 0 385.306 1.528 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)cc1Br ZINC000114047115 530892688 /nfs/dbraw/zinc/89/26/88/530892688.db2.gz RRVUQSREDIPJSI-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1[nH]nc2c1C[NH2+]CC2 ZINC000188443149 530893992 /nfs/dbraw/zinc/89/39/92/530893992.db2.gz DNAUSNYUJIMSHI-SECBINFHSA-N 1 0 385.251 1.532 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NCC(=O)NCC(=O)N1CCCC1 ZINC000190462801 530930410 /nfs/dbraw/zinc/93/04/10/530930410.db2.gz DNWNUNCKIHYZDC-LBPRGKRZSA-N 1 0 398.301 1.847 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NCC[NH+](C)C ZINC000118094490 530916409 /nfs/dbraw/zinc/91/64/09/530916409.db2.gz MULFPRKNNIPWRM-UHFFFAOYSA-N 1 0 375.210 1.216 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000189825503 530921518 /nfs/dbraw/zinc/92/15/18/530921518.db2.gz BLDCCFDGMYTLQH-VWLOTQADSA-N 1 0 387.933 1.957 20 0 GDADRO Cc1sc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1CS(C)(=O)=O ZINC000119530289 530927742 /nfs/dbraw/zinc/92/77/42/530927742.db2.gz LLTSJXCPQSSEOR-CHWSQXEVSA-N 1 0 388.555 1.830 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192068702 530960728 /nfs/dbraw/zinc/96/07/28/530960728.db2.gz IFBOYDATGWOLQU-HZPDHXFCSA-N 1 0 376.906 1.716 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)nc3)CC[C@@H]21 ZINC000120366130 530939693 /nfs/dbraw/zinc/93/96/93/530939693.db2.gz JSGMEFRGYOFSNN-AAEUAGOBSA-N 1 0 381.274 1.725 20 0 GDADRO C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)CC(C)(CO)CO ZINC000191688607 530953101 /nfs/dbraw/zinc/95/31/01/530953101.db2.gz OBRFNCSKRHFWPN-UHFFFAOYSA-N 1 0 387.318 1.708 20 0 GDADRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000191842275 530955598 /nfs/dbraw/zinc/95/55/98/530955598.db2.gz XOZDYBYIATZPEG-UHFFFAOYSA-N 1 0 385.283 1.900 20 0 GDADRO C[NH2+]CCCNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000121435986 530956177 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C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C ZINC000237207236 531044166 /nfs/dbraw/zinc/04/41/66/531044166.db2.gz UBUBUJKBAHWAIW-VIFPVBQESA-N 1 0 392.319 1.850 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000237253855 531044610 /nfs/dbraw/zinc/04/46/10/531044610.db2.gz ZAPKEMOBROWTFS-NSHDSACASA-N 1 0 391.287 1.656 20 0 GDADRO COCC[NH2+]CCNC(=O)COc1ccc(I)cc1 ZINC000237279932 531044644 /nfs/dbraw/zinc/04/46/44/531044644.db2.gz SFZNMPLNJXWPQN-UHFFFAOYSA-N 1 0 378.210 1.022 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000128908162 531045656 /nfs/dbraw/zinc/04/56/56/531045656.db2.gz CTBYRWLBTMRCKU-RKDXNWHRSA-N 1 0 396.332 1.175 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237358789 531045902 /nfs/dbraw/zinc/04/59/02/531045902.db2.gz DHZSNZBAUWFQTN-VXGBXAGGSA-N 1 0 385.452 1.319 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000237444347 531046772 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GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000237942741 531052820 /nfs/dbraw/zinc/05/28/20/531052820.db2.gz DDTSMDROTFAUAK-NSHDSACASA-N 1 0 379.404 1.181 20 0 GDADRO [NH3+]CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000237982759 531053183 /nfs/dbraw/zinc/05/31/83/531053183.db2.gz NLXUGZKHKLCFOY-UHFFFAOYSA-N 1 0 398.282 1.938 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000237977063 531053227 /nfs/dbraw/zinc/05/32/27/531053227.db2.gz OOFNPVQJCPKNOF-YPMHNXCESA-N 1 0 396.285 1.808 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000238028445 531053886 /nfs/dbraw/zinc/05/38/86/531053886.db2.gz SRGRJQCCCXDCHV-SMDDNHRTSA-N 1 0 393.285 1.793 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000238031495 531054122 /nfs/dbraw/zinc/05/41/22/531054122.db2.gz DQGOGWMLVLMVBC-GFCCVEGCSA-N 1 0 382.258 1.514 20 0 GDADRO [NH3+][C@@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCC1)c1ccccc1 ZINC000238033335 531054174 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531133592 /nfs/dbraw/zinc/13/35/92/531133592.db2.gz XODXZBOQONOUBN-ZIAGYGMSSA-N 1 0 385.555 1.897 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)CC[NH2+]1 ZINC000262892269 531133926 /nfs/dbraw/zinc/13/39/26/531133926.db2.gz ORFMBFMOYMZUTM-JQWIXIFHSA-N 1 0 386.265 1.965 20 0 GDADRO CN(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000151181148 531134400 /nfs/dbraw/zinc/13/44/00/531134400.db2.gz GFPOPBKBFYCJGC-GFCCVEGCSA-N 1 0 375.441 1.186 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000263229092 531140623 /nfs/dbraw/zinc/14/06/23/531140623.db2.gz HMGHIQDKXXHMFB-HNNXBMFYSA-N 1 0 382.302 1.696 20 0 GDADRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000151982674 531144570 /nfs/dbraw/zinc/14/45/70/531144570.db2.gz OEBXZRRSKIFOFT-UHFFFAOYSA-N 1 0 381.278 1.837 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC(C)(C)C[NH3+] ZINC000151921980 531144802 /nfs/dbraw/zinc/14/48/02/531144802.db2.gz ZBOQWKGTANQPDW-SNVBAGLBSA-N 1 0 377.304 1.712 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(I)ccc1Cl ZINC000152837313 531157456 /nfs/dbraw/zinc/15/74/56/531157456.db2.gz FUCZLYJPNXIMHE-CYBMUJFWSA-N 1 0 396.656 1.987 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000153058780 531161735 /nfs/dbraw/zinc/16/17/35/531161735.db2.gz QTSDPGYGUIZWLN-MRXNPFEDSA-N 1 0 394.313 1.757 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000153472012 531168023 /nfs/dbraw/zinc/16/80/23/531168023.db2.gz IUPGYSMBIFRRCP-PIGZYNQJSA-N 1 0 388.295 1.775 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000153472106 531168136 /nfs/dbraw/zinc/16/81/36/531168136.db2.gz IUPGYSMBIFRRCP-DIFFPNOSSA-N 1 0 388.295 1.775 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000153692042 531170802 /nfs/dbraw/zinc/17/08/02/531170802.db2.gz SPJNAGNBMLOZOB-GFCCVEGCSA-N 1 0 385.306 1.156 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)Cn3cc(Br)cn3)CC2)c1 ZINC000264174247 531171337 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CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000264573571 531191068 /nfs/dbraw/zinc/19/10/68/531191068.db2.gz WLSRTBBSHCVTOG-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000154864159 531190837 /nfs/dbraw/zinc/19/08/37/531190837.db2.gz BDXIHZDVJUMNEF-GFCCVEGCSA-N 1 0 391.946 1.719 20 0 GDADRO C[C@@](C[NH3+])(NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CC1 ZINC000154948534 531192044 /nfs/dbraw/zinc/19/20/44/531192044.db2.gz NCUSOGHUYASMQE-HNNXBMFYSA-N 1 0 389.315 1.608 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(CS(C)(=O)=O)c(C)s1 ZINC000155831735 531203076 /nfs/dbraw/zinc/20/30/76/531203076.db2.gz NOSVZWCKJHCIEP-AWEZNQCLSA-N 1 0 376.544 1.688 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)CC[C@@H]21 ZINC000155893077 531203298 /nfs/dbraw/zinc/20/32/98/531203298.db2.gz AKZZKHQOJWQOLW-NEPJUHHUSA-N 1 0 391.946 1.623 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264882366 531203378 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O=C(NCC[NH+]1CCCCC1)c1cc(Cn2cc(Br)cn2)on1 ZINC000158006632 531207525 /nfs/dbraw/zinc/20/75/25/531207525.db2.gz GGBGYYDJPXISPZ-UHFFFAOYSA-N 1 0 382.262 1.898 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C[C@@H]1[NH+](C)C ZINC000408065491 531215191 /nfs/dbraw/zinc/21/51/91/531215191.db2.gz ZALPWNOJFSMHRU-SMDDNHRTSA-N 1 0 392.930 1.777 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000290235516 531217791 /nfs/dbraw/zinc/21/77/91/531217791.db2.gz YKISDFXLXRUWLL-INIZCTEOSA-N 1 0 381.523 1.754 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1nccn2c(Br)cnc12 ZINC000290268456 531219990 /nfs/dbraw/zinc/21/99/90/531219990.db2.gz ZSUVBNUHZNKSJJ-UHFFFAOYSA-N 1 0 397.321 1.447 20 0 GDADRO Cc1nc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)sc1SCC(N)=O ZINC000276641412 531220022 /nfs/dbraw/zinc/22/00/22/531220022.db2.gz HJVCEOYPLXYBKV-UHFFFAOYSA-N 1 0 376.507 1.969 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)CCC[NH3+] ZINC000519774136 531220217 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391.287 1.641 20 0 GDADRO O=S(=O)(NCCN1CC[NH2+]CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000440356484 531334857 /nfs/dbraw/zinc/33/48/57/531334857.db2.gz KCKAYKNGOJIYMU-UHFFFAOYSA-N 1 0 386.930 1.647 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)C1 ZINC000266453626 531347373 /nfs/dbraw/zinc/34/73/73/531347373.db2.gz XTGDTINNCHZJFD-ZDUSSCGKSA-N 1 0 380.539 1.789 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000440839096 531347651 /nfs/dbraw/zinc/34/76/51/531347651.db2.gz AATGMKQOHUFXMM-BDAKNGLRSA-N 1 0 381.267 1.955 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000440845266 531348426 /nfs/dbraw/zinc/34/84/26/531348426.db2.gz QXHICDBOKNGFTH-SMDDNHRTSA-N 1 0 384.889 1.811 20 0 GDADRO COC(=O)c1ccc(Br)cc1CN1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000411923660 531349028 /nfs/dbraw/zinc/34/90/28/531349028.db2.gz WEUUZKXKVLNXDZ-ZDUSSCGKSA-N 1 0 399.285 1.772 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cccnc2Br)CCCO1 ZINC000278290751 531349761 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C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000442906585 531379572 /nfs/dbraw/zinc/37/95/72/531379572.db2.gz IBHZHKJCQZSTLR-UHFFFAOYSA-N 1 0 392.319 1.414 20 0 GDADRO C[NH+](C)CCCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000292826044 531381427 /nfs/dbraw/zinc/38/14/27/531381427.db2.gz BEOUTJCABFIVRG-UHFFFAOYSA-N 1 0 399.332 1.083 20 0 GDADRO CC[C@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)[C@H](O)C(F)(F)F ZINC000480909972 531382213 /nfs/dbraw/zinc/38/22/13/531382213.db2.gz LPLWPPULIOQDNQ-AAEUAGOBSA-N 1 0 386.440 1.042 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)NCc2cc(Br)cs2)CC[N@H+](C)C1 ZINC000413135744 531397057 /nfs/dbraw/zinc/39/70/57/531397057.db2.gz XIGVQFBQDZCIGT-SNVBAGLBSA-N 1 0 390.303 1.757 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CC[NH+](C2CCOCC2)CC1 ZINC000267098010 531397125 /nfs/dbraw/zinc/39/71/25/531397125.db2.gz WEHUAZURAWBKQB-UHFFFAOYSA-N 1 0 381.278 1.427 20 0 GDADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000530544632 531398009 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C[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)c1cccc(O)c1 ZINC000444747757 531402907 /nfs/dbraw/zinc/40/29/07/531402907.db2.gz BUJJEOYECROTPV-JTQLQIEISA-N 1 0 383.857 1.982 20 0 GDADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H](CO)C(C)(C)C)ccc1Cl ZINC000278942735 531403871 /nfs/dbraw/zinc/40/38/71/531403871.db2.gz YERYRJBYCHIQAK-AWEZNQCLSA-N 1 0 391.921 1.525 20 0 GDADRO CON(C)S(=O)(=O)c1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000267155964 531404942 /nfs/dbraw/zinc/40/49/42/531404942.db2.gz XVWFQFRVTIMVCQ-INIZCTEOSA-N 1 0 387.527 1.036 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000483090343 531406743 /nfs/dbraw/zinc/40/67/43/531406743.db2.gz QOWMTLPRRSWRDC-GFCCVEGCSA-N 1 0 383.388 1.148 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000484141936 531417055 /nfs/dbraw/zinc/41/70/55/531417055.db2.gz MIVWWXNWDCCQSW-UWVGGRQHSA-N 1 0 380.242 1.241 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000267208109 531411416 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GDADRO CC[NH+]1CCC(CCNC(=O)c2cc(OC)c(S(N)(=O)=O)s2)CC1 ZINC000532288112 531420726 /nfs/dbraw/zinc/42/07/26/531420726.db2.gz QSYGTWQSVYNMIT-UHFFFAOYSA-N 1 0 375.516 1.256 20 0 GDADRO CN(C)c1c(Cl)cccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267360459 531420878 /nfs/dbraw/zinc/42/08/78/531420878.db2.gz SCIOUFNDOQXYCL-KRWDZBQOSA-N 1 0 384.933 1.898 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Cc2cc(Br)ccc2OC)CC[N@H+](C)C1 ZINC000413897316 531421658 /nfs/dbraw/zinc/42/16/58/531421658.db2.gz HECIWEPYDSRFIG-ZDUSSCGKSA-N 1 0 399.285 1.563 20 0 GDADRO C[C@H](C[NH3+])CNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000447246971 531421945 /nfs/dbraw/zinc/42/19/45/531421945.db2.gz QLPKQCHAEHTSOJ-MRVPVSSYSA-N 1 0 376.276 1.207 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)C[C@H]1[NH3+] ZINC000447252527 531422913 /nfs/dbraw/zinc/42/29/13/531422913.db2.gz RSAAOEMBPFGHJW-LDYMZIIASA-N 1 0 388.287 1.302 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1Br ZINC000447252101 531422990 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1.849 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)Cn1ccnc1 ZINC000414292993 531437902 /nfs/dbraw/zinc/43/79/02/531437902.db2.gz CNDOUJBDFIUBKH-NSHDSACASA-N 1 0 387.303 1.719 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc1Br ZINC000414303760 531438673 /nfs/dbraw/zinc/43/86/73/531438673.db2.gz CDBFDVPCAFONMZ-VIFPVBQESA-N 1 0 377.182 1.109 20 0 GDADRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCC1 ZINC000414331189 531440205 /nfs/dbraw/zinc/44/02/05/531440205.db2.gz QGORHQIXYGMOFB-INIZCTEOSA-N 1 0 386.539 1.516 20 0 GDADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C[NH+](C)C ZINC000293838825 531447732 /nfs/dbraw/zinc/44/77/32/531447732.db2.gz DJCATOMGAKKIRD-NSHDSACASA-N 1 0 381.420 1.298 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1Cl ZINC000414355470 531442982 /nfs/dbraw/zinc/44/29/82/531442982.db2.gz XLTUBDFJTHIWOG-JTQLQIEISA-N 1 0 385.795 1.240 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000414359211 531443603 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1 0 389.905 1.469 20 0 GDADRO Cn1cc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)cc(Br)c1=O ZINC000415312782 531473653 /nfs/dbraw/zinc/47/36/53/531473653.db2.gz GVVNXSJHTRPAMC-UHFFFAOYSA-N 1 0 399.289 1.254 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000449713276 531474122 /nfs/dbraw/zinc/47/41/22/531474122.db2.gz WXLGDTHHFGCTRQ-KBPBESRZSA-N 1 0 385.555 1.709 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1C ZINC000449720551 531474522 /nfs/dbraw/zinc/47/45/22/531474522.db2.gz NGKLGCSAIJMIRT-CYBMUJFWSA-N 1 0 381.420 1.368 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)C(F)(F)F ZINC000449720148 531474597 /nfs/dbraw/zinc/47/45/97/531474597.db2.gz MNANEIWPSPKCEX-LLVKDONJSA-N 1 0 399.460 1.932 20 0 GDADRO [NH3+]CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C(F)(F)F ZINC000449725300 531475207 /nfs/dbraw/zinc/47/52/07/531475207.db2.gz UZIYYMUJCRIIOG-LURJTMIESA-N 1 0 379.813 1.076 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(F)c1I ZINC000415330151 531475270 /nfs/dbraw/zinc/47/52/70/531475270.db2.gz FISIUKNRDCXZHI-QMMMGPOBSA-N 1 0 391.184 1.189 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NCCN2CC[NH2+]CC2)c(Br)c1 ZINC000415327775 531475280 /nfs/dbraw/zinc/47/52/80/531475280.db2.gz LRTLRCMQJWZWBC-UHFFFAOYSA-N 1 0 383.290 1.026 20 0 GDADRO [NH3+]CC[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)C(F)(F)F ZINC000449722757 531475399 /nfs/dbraw/zinc/47/53/99/531475399.db2.gz KYLSHNOFOMYPML-JTQLQIEISA-N 1 0 382.180 1.575 20 0 GDADRO COC(=O)c1ccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)[nH]1 ZINC000449772050 531475658 /nfs/dbraw/zinc/47/56/58/531475658.db2.gz ZXQOFEQVXCGFIY-UHFFFAOYSA-N 1 0 395.257 2.408 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c(I)c1 ZINC000415329067 531475780 /nfs/dbraw/zinc/47/57/80/531475780.db2.gz MQORBZXQMPNDQE-MRVPVSSYSA-N 1 0 391.184 1.155 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415329165 531475792 /nfs/dbraw/zinc/47/57/92/531475792.db2.gz NEQFAAVJQMQDQG-SNVBAGLBSA-N 1 0 382.251 1.904 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)NCCN1CC[NH2+]CC1 ZINC000415333745 531476527 /nfs/dbraw/zinc/47/65/27/531476527.db2.gz OXDQAVUIDRVZNO-UHFFFAOYSA-N 1 0 385.262 1.262 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415337386 531476714 /nfs/dbraw/zinc/47/67/14/531476714.db2.gz XJGMBBMWJBYXMC-SNVBAGLBSA-N 1 0 384.230 1.042 20 0 GDADRO C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)nc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362398470 531461162 /nfs/dbraw/zinc/46/11/62/531461162.db2.gz XOWQTEVYPBSOLY-GOEBONIOSA-N 1 0 386.949 1.523 20 0 GDADRO COc1ccc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000415105001 531465250 /nfs/dbraw/zinc/46/52/50/531465250.db2.gz HLIOXEVZSMNXFR-GFCCVEGCSA-N 1 0 383.290 1.969 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415117683 531465728 /nfs/dbraw/zinc/46/57/28/531465728.db2.gz IVQLZAIJAUWUOH-UHFFFAOYSA-N 1 0 399.179 1.927 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN([C@@H](C(N)=O)c3ccc(Br)cc3)CC2)C1 ZINC000362946830 531466599 /nfs/dbraw/zinc/46/65/99/531466599.db2.gz ZWAHRACICVCHAW-IAGOWNOFSA-N 1 0 395.345 1.687 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000538219021 531466879 /nfs/dbraw/zinc/46/68/79/531466879.db2.gz UDBPLQJGHCCLBS-GFCCVEGCSA-N 1 0 391.331 1.982 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415350215 531477603 /nfs/dbraw/zinc/47/76/03/531477603.db2.gz FKMLHBSPGAEPLV-VIFPVBQESA-N 1 0 388.237 1.733 20 0 GDADRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280163708 531477605 /nfs/dbraw/zinc/47/76/05/531477605.db2.gz QVBDKGVCPZDGTG-OQPBUACISA-N 1 0 393.296 1.759 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000415226248 531468454 /nfs/dbraw/zinc/46/84/54/531468454.db2.gz KMZVTMKILUAZIY-SNVBAGLBSA-N 1 0 387.253 1.907 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CCC([NH3+])CC2)c(C)cc1Br ZINC000415263211 531468892 /nfs/dbraw/zinc/46/88/92/531468892.db2.gz HOSTZTNDHJIZCE-UHFFFAOYSA-N 1 0 398.257 1.432 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363031956 531468930 /nfs/dbraw/zinc/46/89/30/531468930.db2.gz YBLVPIUBQQBPHX-NSHDSACASA-N 1 0 394.321 1.706 20 0 GDADRO CS(=O)(=O)c1cccc(C[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000449377932 531469542 /nfs/dbraw/zinc/46/95/42/531469542.db2.gz PVQUMYFXMNUTET-UHFFFAOYSA-N 1 0 385.283 1.804 20 0 GDADRO OCCC[N@@H+]1CCC[C@@H]1CNCc1cn(-c2ccccc2Br)nn1 ZINC000449388024 531470748 /nfs/dbraw/zinc/47/07/48/531470748.db2.gz NTNYLSJXZGDAKS-OAHLLOKOSA-N 1 0 394.317 1.966 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000415274853 531470884 /nfs/dbraw/zinc/47/08/84/531470884.db2.gz UUWCZMSYPBVDNG-SNVBAGLBSA-N 1 0 390.267 1.907 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Br)C1 ZINC000415354155 531478444 /nfs/dbraw/zinc/47/84/44/531478444.db2.gz NJKAZMULXQSGCO-ZETCQYMHSA-N 1 0 396.163 1.846 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415361751 531479307 /nfs/dbraw/zinc/47/93/07/531479307.db2.gz ODHFBKUTWPWAHM-NSHDSACASA-N 1 0 394.273 1.486 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc(OC)c1Br ZINC000415369726 531479712 /nfs/dbraw/zinc/47/97/12/531479712.db2.gz CDMIGORRGOKIQN-SECBINFHSA-N 1 0 386.246 1.273 20 0 GDADRO CC[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280200383 531480287 /nfs/dbraw/zinc/48/02/87/531480287.db2.gz BJYXWCLBQSANKR-CABCVRRESA-N 1 0 386.905 1.756 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)CCCS2 ZINC000415374317 531480575 /nfs/dbraw/zinc/48/05/75/531480575.db2.gz YRUBXEUBQYCSPE-UHFFFAOYSA-N 1 0 385.511 1.627 20 0 GDADRO CO[C@@H]1C[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@H]1OC ZINC000488040448 531481361 /nfs/dbraw/zinc/48/13/61/531481361.db2.gz DXOMHQLNFIUKOC-BPLDGKMQSA-N 1 0 378.238 1.674 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415387223 531481844 /nfs/dbraw/zinc/48/18/44/531481844.db2.gz CMDZPVMSYBSKOO-NSHDSACASA-N 1 0 384.274 1.902 20 0 GDADRO Cc1nc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)sc1C ZINC000543772029 531481993 /nfs/dbraw/zinc/48/19/93/531481993.db2.gz GTVFMHVDBQEUGI-INIZCTEOSA-N 1 0 381.523 1.805 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Nc1ccncc1Br ZINC000415393665 531482504 /nfs/dbraw/zinc/48/25/04/531482504.db2.gz ZMBXZGYZDSNKKJ-LLVKDONJSA-N 1 0 384.278 1.117 20 0 GDADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2ccc(Br)cc21 ZINC000415406426 531483114 /nfs/dbraw/zinc/48/31/14/531483114.db2.gz OJQGUBRYKZGWFM-LBPRGKRZSA-N 1 0 380.286 1.844 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415401649 531483274 /nfs/dbraw/zinc/48/32/74/531483274.db2.gz XOMMHIKEIIIYFV-JTQLQIEISA-N 1 0 375.803 1.990 20 0 GDADRO CCCN(C(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O)[C@@H]1CC[NH2+]C1 ZINC000415403656 531483329 /nfs/dbraw/zinc/48/33/29/531483329.db2.gz LVWRPLVZPKRKHA-LLVKDONJSA-N 1 0 387.889 1.283 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)ccc2N2CCCC2)CC[NH2+]1 ZINC000415408670 531483351 /nfs/dbraw/zinc/48/33/51/531483351.db2.gz CMURPTXGNYOWIH-LBPRGKRZSA-N 1 0 395.301 1.808 20 0 GDADRO CCCN(C(=O)C(=O)Nc1cc(Br)cc(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000415404044 531483421 /nfs/dbraw/zinc/48/34/21/531483421.db2.gz MGNXOHIIYFSVEW-CYBMUJFWSA-N 1 0 384.274 1.997 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363397687 531484657 /nfs/dbraw/zinc/48/46/57/531484657.db2.gz VCRLQIZOYCDMAQ-DOMZBBRYSA-N 1 0 385.306 1.966 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccncc1I ZINC000415424535 531484921 /nfs/dbraw/zinc/48/49/21/531484921.db2.gz IBGFVZWPOJRDDU-KWQFWETISA-N 1 0 390.225 1.343 20 0 GDADRO C[C@@]1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCO[C@@H]1C1CC1 ZINC000544178492 531485105 /nfs/dbraw/zinc/48/51/05/531485105.db2.gz ODVFPTUISHEKFK-HZPDHXFCSA-N 1 0 387.889 1.473 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415546384 531493456 /nfs/dbraw/zinc/49/34/56/531493456.db2.gz AUNJDPBVRCGDLD-ZETCQYMHSA-N 1 0 390.209 1.167 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[C@H]1[NH3+] ZINC000415432516 531485678 /nfs/dbraw/zinc/48/56/78/531485678.db2.gz HEVIUBURCZJRIP-RDDDGLTNSA-N 1 0 376.201 1.862 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000415439500 531486209 /nfs/dbraw/zinc/48/62/09/531486209.db2.gz QWURBPRDZUSTHP-SNVBAGLBSA-N 1 0 387.221 1.358 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1ccc(C(F)(F)F)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000450122430 531486551 /nfs/dbraw/zinc/48/65/51/531486551.db2.gz OQDJJTUKXAICIE-NSHDSACASA-N 1 0 381.420 1.615 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000415460664 531487732 /nfs/dbraw/zinc/48/77/32/531487732.db2.gz ZEXHJUDHCGKGLN-GFCCVEGCSA-N 1 0 387.221 1.392 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415460665 531487817 /nfs/dbraw/zinc/48/78/17/531487817.db2.gz ZEXHJUDHCGKGLN-LBPRGKRZSA-N 1 0 387.221 1.392 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc2cc(Br)cnc21)C1CC1 ZINC000415455837 531487861 /nfs/dbraw/zinc/48/78/61/531487861.db2.gz SARNONBHCAJXEO-CYBMUJFWSA-N 1 0 377.242 1.789 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000488676794 531488789 /nfs/dbraw/zinc/48/87/89/531488789.db2.gz XBQSIPFITUTDIE-PBHICJAKSA-N 1 0 393.329 1.534 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc1I ZINC000415468724 531489051 /nfs/dbraw/zinc/48/90/51/531489051.db2.gz WSYYPTQTRXLZJB-LBPRGKRZSA-N 1 0 389.237 1.638 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(I)c2)CC[C@H]1[NH3+] ZINC000415466536 531489073 /nfs/dbraw/zinc/48/90/73/531489073.db2.gz UDMRALSKSDQKHE-JOYOIKCWSA-N 1 0 387.221 1.425 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NCC(C)(C)[NH3+])cc(Br)c1F ZINC000415471771 531489437 /nfs/dbraw/zinc/48/94/37/531489437.db2.gz RSYBNCUXEODWST-UHFFFAOYSA-N 1 0 390.209 1.167 20 0 GDADRO C[C@H](O)C[NH+]1CCN(C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000294668372 531491016 /nfs/dbraw/zinc/49/10/16/531491016.db2.gz RRZIJGVCONYECY-LRDDRELGSA-N 1 0 375.282 1.794 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415501159 531491097 /nfs/dbraw/zinc/49/10/97/531491097.db2.gz 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ZINC000415542178 531492376 /nfs/dbraw/zinc/49/23/76/531492376.db2.gz UCPJIJHPTUTVIT-GFCCVEGCSA-N 1 0 398.257 1.336 20 0 GDADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000268423884 531510900 /nfs/dbraw/zinc/51/09/00/531510900.db2.gz YFILXVGCBFHOLB-UHFFFAOYSA-N 1 0 392.518 1.723 20 0 GDADRO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000581702352 531511490 /nfs/dbraw/zinc/51/14/90/531511490.db2.gz XAQIXHILLLBJMP-HZPDHXFCSA-N 1 0 377.576 1.134 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415669037 531511625 /nfs/dbraw/zinc/51/16/25/531511625.db2.gz FELAVKCAOABEBC-PHIMTYICSA-N 1 0 379.258 1.338 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415724323 531519451 /nfs/dbraw/zinc/51/94/51/531519451.db2.gz MLCAKWVXFJDYFC-KRWDZBQOSA-N 1 0 396.285 1.998 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000581727094 531512547 /nfs/dbraw/zinc/51/25/47/531512547.db2.gz 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1.383 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)CC[NH3+])c(I)c1 ZINC000415575079 531496969 /nfs/dbraw/zinc/49/69/69/531496969.db2.gz PDUXBMWAJKRIGU-MRVPVSSYSA-N 1 0 393.200 1.531 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(c3ncccc3I)C2)CC1 ZINC000610130486 531498138 /nfs/dbraw/zinc/49/81/38/531498138.db2.gz LLCZADBWGUPOLW-CYBMUJFWSA-N 1 0 386.281 1.902 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000415586964 531498695 /nfs/dbraw/zinc/49/86/95/531498695.db2.gz YKYVGMSTOONHLF-VHSXEESVSA-N 1 0 387.221 1.425 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000415581977 531498746 /nfs/dbraw/zinc/49/87/46/531498746.db2.gz OHROVESGJAFKIK-INIZCTEOSA-N 1 0 384.274 1.902 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363663444 531499249 /nfs/dbraw/zinc/49/92/49/531499249.db2.gz SWSDSRRZIFPOOD-HUUCEWRRSA-N 1 0 396.285 1.158 20 0 GDADRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280449976 531499327 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O=C(Nc1cc(Br)ccc1N1CCCC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415763384 531527517 /nfs/dbraw/zinc/52/75/17/531527517.db2.gz RDYFAAVNIWDNHH-JYAVWHMHSA-N 1 0 393.285 1.322 20 0 GDADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)[C@H]2CCCOC2)CC1 ZINC000550821195 531529556 /nfs/dbraw/zinc/52/95/56/531529556.db2.gz BKSUULNXCCVAKL-SJORKVTESA-N 1 0 376.563 1.689 20 0 GDADRO CO[C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)[C@H](C[NH3+])C1 ZINC000415786036 531530305 /nfs/dbraw/zinc/53/03/05/531530305.db2.gz HXYUFRIRMBYHFG-WDEREUQCSA-N 1 0 386.294 1.880 20 0 GDADRO CN(C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000551099739 531530734 /nfs/dbraw/zinc/53/07/34/531530734.db2.gz SLJOXHCUZMXQNB-NSHDSACASA-N 1 0 376.404 1.882 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)c1Br ZINC000415789989 531531735 /nfs/dbraw/zinc/53/17/35/531531735.db2.gz ONMMFBCODUXQKV-UHFFFAOYSA-N 1 0 384.230 1.122 20 0 GDADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cccc(I)c1)C(F)F ZINC000415791069 531531775 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[NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415829762 531539280 /nfs/dbraw/zinc/53/92/80/531539280.db2.gz FITYREIDTOSWFP-APPZFPTMSA-N 1 0 376.201 1.909 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c(Cl)cc1Br ZINC000659085575 531539561 /nfs/dbraw/zinc/53/95/61/531539561.db2.gz YTENIXWJRXDLKM-XVKPBYJWSA-N 1 0 390.665 1.998 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000659089276 531539742 /nfs/dbraw/zinc/53/97/42/531539742.db2.gz DNHVJLQJUQMNAC-UHFFFAOYSA-N 1 0 377.413 1.162 20 0 GDADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000280787209 531539859 /nfs/dbraw/zinc/53/98/59/531539859.db2.gz UBBKEGGNXVVLGI-CYBMUJFWSA-N 1 0 387.933 1.847 20 0 GDADRO COC(=O)c1ccc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)c(Br)c1 ZINC000551554483 531540015 /nfs/dbraw/zinc/54/00/15/531540015.db2.gz JKWMQSJMGLVGGN-OAHLLOKOSA-N 1 0 399.285 1.996 20 0 GDADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C[C@@H](C)C1 ZINC000558022797 531541157 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COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)ccc1Br ZINC000415860520 531545147 /nfs/dbraw/zinc/54/51/47/531545147.db2.gz CKGXYFLQUQOYSI-NSHDSACASA-N 1 0 398.257 1.433 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415868918 531545975 /nfs/dbraw/zinc/54/59/75/531545975.db2.gz MNQUFCFGOGZBGK-NWDGAFQWSA-N 1 0 393.285 1.728 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCCO1 ZINC000415868368 531545982 /nfs/dbraw/zinc/54/59/82/531545982.db2.gz YDPSRGJZHOWDHX-SECBINFHSA-N 1 0 392.200 1.242 20 0 GDADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Cl ZINC000415867215 531546064 /nfs/dbraw/zinc/54/60/64/531546064.db2.gz WRQYDSIQQHNXRG-JTQLQIEISA-N 1 0 376.240 1.517 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415866708 531546265 /nfs/dbraw/zinc/54/62/65/531546265.db2.gz VTYULNGKDBYCOB-CYBMUJFWSA-N 1 0 384.274 1.526 20 0 GDADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415866204 531546307 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CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000415990110 531552795 /nfs/dbraw/zinc/55/27/95/531552795.db2.gz CDMLGFXMHCWRJT-GFCCVEGCSA-N 1 0 382.408 1.016 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)N1CC[NH+](C)CC1 ZINC000268547796 531532977 /nfs/dbraw/zinc/53/29/77/531532977.db2.gz MJNXXFHXYUHXQQ-GFCCVEGCSA-N 1 0 383.905 1.197 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Br ZINC000415797773 531533161 /nfs/dbraw/zinc/53/31/61/531533161.db2.gz WPSCUGCOLQKCDK-FZMZJTMJSA-N 1 0 396.285 1.997 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000415800946 531533573 /nfs/dbraw/zinc/53/35/73/531533573.db2.gz FOTQCXSEIYDUGF-LLVKDONJSA-N 1 0 386.294 1.658 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[NH2+]1 ZINC000415820133 531535378 /nfs/dbraw/zinc/53/53/78/531535378.db2.gz ABKWOEBVTVAXSB-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO NC(=O)[C@H]1CCCN1CCC[NH2+]Cc1ccc(I)cc1 ZINC000295186451 531535428 /nfs/dbraw/zinc/53/54/28/531535428.db2.gz 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ZINC000659725872 531556456 /nfs/dbraw/zinc/55/64/56/531556456.db2.gz ACKXMRGMTHKXSS-UHFFFAOYSA-N 1 0 386.677 1.587 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000636458869 531556494 /nfs/dbraw/zinc/55/64/94/531556494.db2.gz RZHCLKZAWPZBCD-UHFFFAOYSA-N 1 0 386.265 1.757 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)C2 ZINC000659713034 531557396 /nfs/dbraw/zinc/55/73/96/531557396.db2.gz AIUXODORKZWIOW-CYBMUJFWSA-N 1 0 380.286 1.858 20 0 GDADRO CC[C@@H]([NH2+]CCN(C)CCOC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280930240 531557535 /nfs/dbraw/zinc/55/75/35/531557535.db2.gz RQSQIHAMBPVIDG-OAHLLOKOSA-N 1 0 377.938 1.867 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N(CC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000558469893 531561964 /nfs/dbraw/zinc/56/19/64/531561964.db2.gz BHEQJRZKEPAAQA-UHFFFAOYSA-N 1 0 378.441 1.611 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000364413450 531562580 /nfs/dbraw/zinc/56/25/80/531562580.db2.gz CNRJZKWHWGKDTM-XBFCOCLRSA-N 1 0 378.445 1.020 20 0 GDADRO C[NH+]1CCC(C)(CNC(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000613350605 531566286 /nfs/dbraw/zinc/56/62/86/531566286.db2.gz OZRMUCBEKFIGAU-UHFFFAOYSA-N 1 0 393.289 1.887 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCNS(C)(=O)=O ZINC000558502865 531566250 /nfs/dbraw/zinc/56/62/50/531566250.db2.gz FWBKQSOSGIJXGW-NSHDSACASA-N 1 0 381.420 1.951 20 0 GDADRO CCN(CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)S(C)(=O)=O ZINC000268784605 531569601 /nfs/dbraw/zinc/56/96/01/531569601.db2.gz JRTSHRRLNHYZQO-ZDUSSCGKSA-N 1 0 392.543 1.421 20 0 GDADRO CC[N@H+](CCNC(=O)Nc1ccc(S(C)(=O)=O)nc1)CCC(F)(F)F ZINC000493280577 531570844 /nfs/dbraw/zinc/57/08/44/531570844.db2.gz MMPUEPFFJXJENR-UHFFFAOYSA-N 1 0 382.408 1.881 20 0 GDADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000451231030 531571789 /nfs/dbraw/zinc/57/17/89/531571789.db2.gz PASNVYKYISJUJV-CHWSQXEVSA-N 1 0 386.436 1.618 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000268813295 531575063 /nfs/dbraw/zinc/57/50/63/531575063.db2.gz MXINCIWNWGPKFM-AWEZNQCLSA-N 1 0 379.302 1.835 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000451249362 531575213 /nfs/dbraw/zinc/57/52/13/531575213.db2.gz ZIJAHCIJWBRZLB-RHSMWYFYSA-N 1 0 388.555 1.582 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC000451246701 531575848 /nfs/dbraw/zinc/57/58/48/531575848.db2.gz LBLOBEMODBVNSG-UHFFFAOYSA-N 1 0 388.555 1.632 20 0 GDADRO O=C(NCCOc1ccc(I)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000583498431 531580862 /nfs/dbraw/zinc/58/08/62/531580862.db2.gz SBSRYIJUECMBAS-HIFRSBDPSA-N 1 0 386.233 1.786 20 0 GDADRO O=C(CN1CC[NH+](C[C@H]2CNC(=O)C2)CC1)Nc1ccc(Br)cc1 ZINC000660011882 531583000 /nfs/dbraw/zinc/58/30/00/531583000.db2.gz ZDZABRBQKJMQGB-CYBMUJFWSA-N 1 0 395.301 1.141 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000660009959 531583321 /nfs/dbraw/zinc/58/33/21/531583321.db2.gz DNJMSLXZVJRZDV-CQSZACIVSA-N 1 0 389.543 1.042 20 0 GDADRO NC(=O)C1([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCCCC1 ZINC000555926329 531585154 /nfs/dbraw/zinc/58/51/54/531585154.db2.gz ZSSSKQQFMYQAHX-UHFFFAOYSA-N 1 0 379.258 1.735 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@H](O)CSC)cc1Br ZINC000583630993 531586848 /nfs/dbraw/zinc/58/68/48/531586848.db2.gz CXUAQQQJHGNFQM-OLZOCXBDSA-N 1 0 378.332 1.922 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614065661 531588285 /nfs/dbraw/zinc/58/82/85/531588285.db2.gz RRMLAOKEAYONPZ-INIZCTEOSA-N 1 0 386.290 1.690 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000281171599 531589185 /nfs/dbraw/zinc/58/91/85/531589185.db2.gz XVHVZSHDFSHVSP-UHFFFAOYSA-N 1 0 389.283 1.251 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000583694030 531589287 /nfs/dbraw/zinc/58/92/87/531589287.db2.gz TXHAPNNHQRGXBU-JTQLQIEISA-N 1 0 382.313 1.905 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000660030454 531589775 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396.481 1.758 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCOc2ccc(Br)cc21 ZINC000614514076 531598379 /nfs/dbraw/zinc/59/83/79/531598379.db2.gz IMBVIPFTUHJWCK-HUUCEWRRSA-N 1 0 394.313 1.821 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614505170 531596710 /nfs/dbraw/zinc/59/67/10/531596710.db2.gz KVVCCBYFRBNNSZ-CQSZACIVSA-N 1 0 392.301 1.525 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268986939 531596810 /nfs/dbraw/zinc/59/68/10/531596810.db2.gz IZAOQULUFVFGHY-DOMZBBRYSA-N 1 0 375.516 1.133 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1Cl ZINC000416398653 531599716 /nfs/dbraw/zinc/59/97/16/531599716.db2.gz BQTXZXRRMJNUBG-UHFFFAOYSA-N 1 0 392.905 1.482 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CCSc2ccc(F)cc2F)[C@H](N2CCOCC2)C1 ZINC000660074460 531601108 /nfs/dbraw/zinc/60/11/08/531601108.db2.gz NKQXFZIBTKJIKI-LSDHHAIUSA-N 1 0 392.493 1.144 20 0 GDADRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)CC1 ZINC000416414905 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CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](C)[C@@H](C)CO ZINC000295703578 531614215 /nfs/dbraw/zinc/61/42/15/531614215.db2.gz JLZBRUYGDMHPKD-UONOGXRCSA-N 1 0 377.528 1.251 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)C(=O)NCc2cc(Br)cs2)CC1 ZINC000559989798 531617385 /nfs/dbraw/zinc/61/73/85/531617385.db2.gz WQTHZMCMHIJBQY-UHFFFAOYSA-N 1 0 386.315 1.895 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000269158291 531617560 /nfs/dbraw/zinc/61/75/60/531617560.db2.gz ACRMQLUVEMSDLZ-YPMHNXCESA-N 1 0 389.905 1.640 20 0 GDADRO C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)[C@H]1CCC[NH2+]C1 ZINC000269168304 531618480 /nfs/dbraw/zinc/61/84/80/531618480.db2.gz DMFSPWUIOJMCHA-KBPBESRZSA-N 1 0 385.555 1.579 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)ccc1Cl ZINC000269155031 531616768 /nfs/dbraw/zinc/61/67/68/531616768.db2.gz UQJWWDDZGQYVAT-LLVKDONJSA-N 1 0 389.905 1.721 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000269187057 531621361 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GDADRO C[C@]([NH3+])(C(=O)N1CCN([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000662654417 531692624 /nfs/dbraw/zinc/69/26/24/531692624.db2.gz CJTBRGRUAOMYRI-DOTOQJQBSA-N 1 0 382.302 1.556 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000662730820 531693007 /nfs/dbraw/zinc/69/30/07/531693007.db2.gz QJUPALFORRRCMA-CYBMUJFWSA-N 1 0 381.420 1.473 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000269575577 531693399 /nfs/dbraw/zinc/69/33/99/531693399.db2.gz CIDHICJNLKTXHU-HOCLYGCPSA-N 1 0 390.933 1.479 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)NCC12CC(C1)C[NH2+]2 ZINC000662721271 531693433 /nfs/dbraw/zinc/69/34/33/531693433.db2.gz NEAFSBGFRUFMOK-UHFFFAOYSA-N 1 0 380.242 1.043 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000282080509 531702099 /nfs/dbraw/zinc/70/20/99/531702099.db2.gz ZFQNWMREELSCPI-MNOVXSKESA-N 1 0 384.893 1.671 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000504252004 531702536 /nfs/dbraw/zinc/70/25/36/531702536.db2.gz CNSAXJUSVMZTCO-YCPHGPKFSA-N 1 0 385.555 1.282 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1=O ZINC000296549041 531703234 /nfs/dbraw/zinc/70/32/34/531703234.db2.gz GUDOCJLAEPLVMV-LBPRGKRZSA-N 1 0 387.278 1.116 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CCO1 ZINC000662968667 531703600 /nfs/dbraw/zinc/70/36/00/531703600.db2.gz GBILUISXRROZMV-YGRLFVJLSA-N 1 0 386.279 1.453 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)C2 ZINC000662991989 531705919 /nfs/dbraw/zinc/70/59/19/531705919.db2.gz FIKBMCQMCIAORQ-BXUZGUMPSA-N 1 0 380.286 1.795 20 0 GDADRO C[C@]1(CO)C[C@H](O)C[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000639851390 531705995 /nfs/dbraw/zinc/70/59/95/531705995.db2.gz LWDFCNQQNYNCTE-YWPYICTPSA-N 1 0 394.693 1.660 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2Cc3ccc(C)c(Br)c3C2)C1 ZINC000662993357 531706133 /nfs/dbraw/zinc/70/61/33/531706133.db2.gz NOKFUKJQLFXAKJ-ZDUSSCGKSA-N 1 0 380.286 1.810 20 0 GDADRO CC[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(I)cc1 ZINC000591245096 531712133 /nfs/dbraw/zinc/71/21/33/531712133.db2.gz GUCKPGABSDTZAM-KBPBESRZSA-N 1 0 386.237 1.985 20 0 GDADRO COCC[C@@H](CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000282110700 531707354 /nfs/dbraw/zinc/70/73/54/531707354.db2.gz DTUVMMTVGXCFQR-NSHDSACASA-N 1 0 395.237 1.795 20 0 GDADRO Cn1c(=O)cc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)n(C)c1=O ZINC000282219120 531723001 /nfs/dbraw/zinc/72/30/01/531723001.db2.gz YNIPRIFFDWYDNJ-CYBMUJFWSA-N 1 0 380.242 1.460 20 0 GDADRO Cc1nn(C)c(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c1Br ZINC000640162139 531723706 /nfs/dbraw/zinc/72/37/06/531723706.db2.gz KMZBSCHRHBIBGZ-UHFFFAOYSA-N 1 0 387.326 1.639 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C[C@@H]1O ZINC000664850864 531729463 /nfs/dbraw/zinc/72/94/63/531729463.db2.gz NZCMKSUXPKYYDU-SOUVJXGZSA-N 1 0 383.290 1.612 20 0 GDADRO C[C@@H]1CN(CCNC(=O)Nc2nn(CC(F)(F)F)cc2Cl)[C@@H](C)CO1 ZINC000640301450 531732167 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O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc2cncc(Br)c2n1 ZINC000640318692 531742986 /nfs/dbraw/zinc/74/29/86/531742986.db2.gz NJGJREVDACRTAE-GFCCVEGCSA-N 1 0 379.258 1.579 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000640325023 531743722 /nfs/dbraw/zinc/74/37/22/531743722.db2.gz YKSRSPHOFOQABM-GFCCVEGCSA-N 1 0 394.269 1.889 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000416908278 531744397 /nfs/dbraw/zinc/74/43/97/531744397.db2.gz DCOIYUFUSKJZRG-OLZOCXBDSA-N 1 0 388.559 1.848 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000366418540 531744616 /nfs/dbraw/zinc/74/46/16/531744616.db2.gz NKRNHTOCHXTJDA-CYBMUJFWSA-N 1 0 387.933 1.855 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(Br)cc1-n1cncn1 ZINC000640321236 531745082 /nfs/dbraw/zinc/74/50/82/531745082.db2.gz CPZMQSRTNZGSGU-ZDUSSCGKSA-N 1 0 394.273 1.216 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000620640001 531733447 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GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417206478 531758991 /nfs/dbraw/zinc/75/89/91/531758991.db2.gz KOTYAFYENRKSNF-AWEZNQCLSA-N 1 0 383.290 1.702 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCc1cccc(Br)c1)C2 ZINC000621839846 531758988 /nfs/dbraw/zinc/75/89/88/531758988.db2.gz ZNQYPVIONPLOCB-DYVFJYSZSA-N 1 0 380.286 1.448 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccc(Br)cn1 ZINC000621837288 531759947 /nfs/dbraw/zinc/75/99/47/531759947.db2.gz DKQYVWDYAWSWRQ-XMZIXOGTSA-N 1 0 381.274 1.361 20 0 GDADRO O=C(NCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000417216632 531760255 /nfs/dbraw/zinc/76/02/55/531760255.db2.gz YMJFGQKBLUXSKC-CABCVRRESA-N 1 0 395.301 1.715 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1)C2 ZINC000621844445 531761035 /nfs/dbraw/zinc/76/10/35/531761035.db2.gz RMHLIQPKCXJVNS-YMTOWFKASA-N 1 0 376.404 1.160 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(CC(=O)Nc2ccc(Br)cc2F)nn1 ZINC000640759289 531761221 /nfs/dbraw/zinc/76/12/21/531761221.db2.gz OFMXNHZAFSJANO-SNVBAGLBSA-N 1 0 386.225 1.335 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(CC(=O)Nc2ccc(C)cc2Br)nn1 ZINC000640770386 531761723 /nfs/dbraw/zinc/76/17/23/531761723.db2.gz GPRURSUTGZBFJK-LBPRGKRZSA-N 1 0 396.289 1.894 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366615385 531763830 /nfs/dbraw/zinc/76/38/30/531763830.db2.gz GPZJZSNUYGNXOV-UHFFFAOYSA-N 1 0 381.274 1.916 20 0 GDADRO CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000622017377 531764367 /nfs/dbraw/zinc/76/43/67/531764367.db2.gz NNFVBHORAKABIZ-KGLIPLIRSA-N 1 0 375.238 1.538 20 0 GDADRO CN(C)c1noc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000641162658 531780554 /nfs/dbraw/zinc/78/05/54/531780554.db2.gz LVFNKMJQNMFIBM-ZDUSSCGKSA-N 1 0 378.234 1.586 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000562816050 531781384 /nfs/dbraw/zinc/78/13/84/531781384.db2.gz NHDCYDWNZOKZAI-UHFFFAOYSA-N 1 0 376.910 1.306 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417582171 531781417 /nfs/dbraw/zinc/78/14/17/531781417.db2.gz HRYINJMIYGATRK-ZDUSSCGKSA-N 1 0 383.290 1.540 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cs1 ZINC000297333432 531783363 /nfs/dbraw/zinc/78/33/63/531783363.db2.gz XYJZHCONYROJFL-ZIAGYGMSSA-N 1 0 383.470 1.492 20 0 GDADRO CS[C@H](C)CNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000269806000 531767556 /nfs/dbraw/zinc/76/75/56/531767556.db2.gz CZAARJGGIKEVCP-CQSZACIVSA-N 1 0 387.571 1.706 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2c(cc1Br)OCO2 ZINC000622073324 531767742 /nfs/dbraw/zinc/76/77/42/531767742.db2.gz VOBYPPIUJAITQU-LLVKDONJSA-N 1 0 385.258 1.754 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCc2sccc2Br)C1 ZINC000417407392 531768110 /nfs/dbraw/zinc/76/81/10/531768110.db2.gz SVDSJJUPZIMTEJ-SNVBAGLBSA-N 1 0 389.319 1.507 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H]1SC ZINC000592173988 531769623 /nfs/dbraw/zinc/76/96/23/531769623.db2.gz FKAFNSDDASDORF-FMKPAKJESA-N 1 0 387.527 1.161 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417445403 531773243 /nfs/dbraw/zinc/77/32/43/531773243.db2.gz ZPWBPPWHMJZTNT-CQSZACIVSA-N 1 0 383.290 1.572 20 0 GDADRO COc1ccc(Br)c(CC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000452358066 531773265 /nfs/dbraw/zinc/77/32/65/531773265.db2.gz FVFAAJZDJIAJCI-CQSZACIVSA-N 1 0 385.302 1.963 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000667252406 531773531 /nfs/dbraw/zinc/77/35/31/531773531.db2.gz OTLRJZYUALWBQF-UHFFFAOYSA-N 1 0 394.273 1.689 20 0 GDADRO [NH3+]C1CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000417453914 531775131 /nfs/dbraw/zinc/77/51/31/531775131.db2.gz BJMVMODIXKGIOQ-UHFFFAOYSA-N 1 0 383.290 1.702 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NC[C@H]([NH3+])C2CC2)s1 ZINC000417514675 531777374 /nfs/dbraw/zinc/77/73/74/531777374.db2.gz JYDZCZTVUNRIQF-AWEZNQCLSA-N 1 0 388.559 1.358 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)nn1 ZINC000641112051 531777420 /nfs/dbraw/zinc/77/74/20/531777420.db2.gz VPVNQPIKTYKUNM-SNVBAGLBSA-N 1 0 382.255 1.730 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)ccc1Cl ZINC000297289837 531777481 /nfs/dbraw/zinc/77/74/81/531777481.db2.gz CTVAHFULPHLFAE-ZWNOBZJWSA-N 1 0 375.878 1.474 20 0 GDADRO COc1ncc(Br)cc1Cn1cc([C@H]([NH3+])C2CCOCC2)nn1 ZINC000641127632 531779916 /nfs/dbraw/zinc/77/99/16/531779916.db2.gz CQCGSPPSOGQDEW-CQSZACIVSA-N 1 0 382.262 1.919 20 0 GDADRO C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ncc(Br)cn1 ZINC000563056885 531800914 /nfs/dbraw/zinc/80/09/14/531800914.db2.gz FTEUYYUOMPKNQX-TUAOUCFPSA-N 1 0 386.294 1.397 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000668506256 531800940 /nfs/dbraw/zinc/80/09/40/531800940.db2.gz IEWCOVMETRJVNV-CUOATXAZSA-N 1 0 380.279 1.921 20 0 GDADRO C[C@@H]1CN(CC(=O)NCc2ccc(Cl)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367032064 531801258 /nfs/dbraw/zinc/80/12/58/531801258.db2.gz XZMOMLKMRYLBIB-GDBMZVCRSA-N 1 0 384.977 1.976 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000418087931 531801348 /nfs/dbraw/zinc/80/13/48/531801348.db2.gz IWYJHBIWVOVEGB-LLVKDONJSA-N 1 0 379.404 1.660 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CCO1 ZINC000418086289 531801566 /nfs/dbraw/zinc/80/15/66/531801566.db2.gz ZSSKNIIEMAEXCX-WCQYABFASA-N 1 0 387.267 1.468 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)[C@H]2C1 ZINC000282706219 531786711 /nfs/dbraw/zinc/78/67/11/531786711.db2.gz YIDFZGGZIGUZGW-YGRLFVJLSA-N 1 0 382.877 1.235 20 0 GDADRO C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)Oc1ccccc1Br ZINC000417832519 531787190 /nfs/dbraw/zinc/78/71/90/531787190.db2.gz SVVSGRCURWIIEX-QWHCGFSZSA-N 1 0 385.306 1.419 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000417910177 531789457 /nfs/dbraw/zinc/78/94/57/531789457.db2.gz JJFJYUMQWXEACA-HDJSIYSDSA-N 1 0 388.559 1.399 20 0 GDADRO CN(CCNC(=O)N[C@H](C[NH3+])C1CCCCC1)S(=O)(=O)c1cccs1 ZINC000417913162 531789973 /nfs/dbraw/zinc/78/99/73/531789973.db2.gz PNNNEZYWVZETPQ-CQSZACIVSA-N 1 0 388.559 1.575 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NCC2([NH3+])CCCCCC2)s1 ZINC000417912046 531790012 /nfs/dbraw/zinc/79/00/12/531790012.db2.gz NDKNQGFOYOJXJR-UHFFFAOYSA-N 1 0 388.559 1.686 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC000417917516 531790647 /nfs/dbraw/zinc/79/06/47/531790647.db2.gz WVFDCKXEMZDQHA-UHFFFAOYSA-N 1 0 388.559 1.366 20 0 GDADRO CN(C(=O)NCc1ccc(Br)cc1N1CCOCC1)C1CC([NH3+])C1 ZINC000417920332 531791450 /nfs/dbraw/zinc/79/14/50/531791450.db2.gz YTAHDKKLIQVGKT-UHFFFAOYSA-N 1 0 397.317 1.917 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623018279 531791504 /nfs/dbraw/zinc/79/15/04/531791504.db2.gz BHBCZBLAXPWLTL-UHFFFAOYSA-N 1 0 397.277 1.075 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(CC(=O)Nc2ccc(I)cc2)CCO1 ZINC000592475099 531791650 /nfs/dbraw/zinc/79/16/50/531791650.db2.gz NTYMYKGYUSINPI-MFKMUULPSA-N 1 0 389.237 1.278 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC[C@H](C[NH3+])C3)C2)s1 ZINC000297444508 531792263 /nfs/dbraw/zinc/79/22/63/531792263.db2.gz VGTZCNFQPGVQFN-HUUCEWRRSA-N 1 0 385.555 1.655 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@H](C[NH3+])C3)C2)s1 ZINC000297444502 531792292 /nfs/dbraw/zinc/79/22/92/531792292.db2.gz VGTZCNFQPGVQFN-CABCVRRESA-N 1 0 385.555 1.655 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000592493110 531793058 /nfs/dbraw/zinc/79/30/58/531793058.db2.gz WGUYUCMKCWRAMR-ZDUSSCGKSA-N 1 0 395.308 1.604 20 0 GDADRO [NH3+]CCN(CCO)C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417967324 531793558 /nfs/dbraw/zinc/79/35/58/531793558.db2.gz VKRZQPKMLGSCKE-UHFFFAOYSA-N 1 0 384.786 1.485 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000417998805 531794709 /nfs/dbraw/zinc/79/47/09/531794709.db2.gz VGOHOJGODWKINZ-DFBGVHRSSA-N 1 0 386.290 1.894 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000511629927 531796181 /nfs/dbraw/zinc/79/61/81/531796181.db2.gz QJMSHEIZAMLVMI-HOCLYGCPSA-N 1 0 376.906 1.218 20 0 GDADRO CNS(=O)(=O)CCC[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000511643073 531797101 /nfs/dbraw/zinc/79/71/01/531797101.db2.gz ARRHNCUVMLPFQJ-ZDUSSCGKSA-N 1 0 384.420 1.316 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000562999151 531798090 /nfs/dbraw/zinc/79/80/90/531798090.db2.gz YEJXEDNHJHHTQQ-DAXOMENPSA-N 1 0 378.922 1.696 20 0 GDADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3nc4ccc(Br)cn4n3)cc2C1 ZINC000623068674 531798741 /nfs/dbraw/zinc/79/87/41/531798741.db2.gz GYRXHYQHLLZNSP-LLVKDONJSA-N 1 0 387.241 1.955 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]([NH3+])C3CC3)nc12 ZINC000418021459 531800092 /nfs/dbraw/zinc/80/00/92/531800092.db2.gz PPYQHSKUNHNDLM-CQSZACIVSA-N 1 0 380.290 1.984 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000418063332 531800285 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C[NH2+]C[C@H]1CCCN1C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418137195 531804101 /nfs/dbraw/zinc/80/41/01/531804101.db2.gz CNVWTYSKDBLCKF-CYBMUJFWSA-N 1 0 388.921 1.402 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCOc1ccc(I)cc1 ZINC000418150256 531804835 /nfs/dbraw/zinc/80/48/35/531804835.db2.gz CRNPCHDPZFAUSI-NXEZZACHSA-N 1 0 377.226 1.705 20 0 GDADRO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)NCC[C@@H]1CC[NH2+]C1 ZINC000418149983 531805612 /nfs/dbraw/zinc/80/56/12/531805612.db2.gz QBBRYKQYBDZVSU-ZDUSSCGKSA-N 1 0 388.921 1.307 20 0 GDADRO C[NH2+]CCCNC(=O)NCCOc1ccc(I)cc1 ZINC000418156841 531807497 /nfs/dbraw/zinc/80/74/97/531807497.db2.gz NPLUCFJFFQPQKM-UHFFFAOYSA-N 1 0 377.226 1.579 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418156619 531807670 /nfs/dbraw/zinc/80/76/70/531807670.db2.gz NETVVILHGUTLGS-CMPLNLGQSA-N 1 0 392.884 1.184 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418163560 531809118 /nfs/dbraw/zinc/80/91/18/531809118.db2.gz 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CCCN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000563142218 531812533 /nfs/dbraw/zinc/81/25/33/531812533.db2.gz JIQCKWZGIYFPIK-NSHDSACASA-N 1 0 394.324 1.872 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418177115 531812471 /nfs/dbraw/zinc/81/24/71/531812471.db2.gz UZUKIHITFDAFRG-GXFFZTMASA-N 1 0 392.884 1.055 20 0 GDADRO Cn1cc(C[C@@H](CO)[NH2+]C[C@H](O)COc2ccc(Br)cc2)cn1 ZINC000563138184 531812975 /nfs/dbraw/zinc/81/29/75/531812975.db2.gz OCFDPYBZNBGGIX-GJZGRUSLSA-N 1 0 384.274 1.116 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)NCC(=O)Nc1ccc(I)cc1 ZINC000418169703 531813233 /nfs/dbraw/zinc/81/32/33/531813233.db2.gz NMOCTXKMGOOXJV-VIFPVBQESA-N 1 0 390.225 1.266 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000563158208 531814033 /nfs/dbraw/zinc/81/40/33/531814033.db2.gz KMKYFFXZUDTTBS-QMMMGPOBSA-N 1 0 387.811 1.348 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000418179560 531814215 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C[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000418315416 531822148 /nfs/dbraw/zinc/82/21/48/531822148.db2.gz HNWKXFCIRLMINO-UHFFFAOYSA-N 1 0 395.312 1.229 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C1CCCCC1 ZINC000418357967 531822943 /nfs/dbraw/zinc/82/29/43/531822943.db2.gz IDMZRSMQHNGVPJ-KBPBESRZSA-N 1 0 389.543 1.090 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)N[C@H]2CC[NH2+]C2)cc1Br ZINC000418358126 531823416 /nfs/dbraw/zinc/82/34/16/531823416.db2.gz DLURXKZAFNZHQM-OLZOCXBDSA-N 1 0 386.290 1.270 20 0 GDADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000418488242 531826118 /nfs/dbraw/zinc/82/61/18/531826118.db2.gz MIXONWBTAMHZEY-CABCVRRESA-N 1 0 386.290 1.870 20 0 GDADRO CCC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000418466962 531826617 /nfs/dbraw/zinc/82/66/17/531826617.db2.gz FBJVZOAWIRJSCE-UHFFFAOYSA-N 1 0 388.921 1.356 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000297854382 531827306 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O=C(NCCC[NH2+]C1CC1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000418294121 531820889 /nfs/dbraw/zinc/82/08/89/531820889.db2.gz BZQRUHRQFUJXNU-OAHLLOKOSA-N 1 0 395.301 1.774 20 0 GDADRO CC[NH2+]CCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000418318811 531821257 /nfs/dbraw/zinc/82/12/57/531821257.db2.gz ATKMJXBAKVIWPM-UHFFFAOYSA-N 1 0 398.305 1.814 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418349708 531821411 /nfs/dbraw/zinc/82/14/11/531821411.db2.gz XUNDGNNGGSIDEA-CABCVRRESA-N 1 0 384.318 1.899 20 0 GDADRO COc1cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)ccc1OCC(F)(F)F ZINC000669831689 531821798 /nfs/dbraw/zinc/82/17/98/531821798.db2.gz OPWFGKATVMHVSU-UHFFFAOYSA-N 1 0 382.404 1.806 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000418705587 531834462 /nfs/dbraw/zinc/83/44/62/531834462.db2.gz FAQCQDRSFFSHPX-LLVKDONJSA-N 1 0 394.950 1.545 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418696445 531834514 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GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000624358896 531839563 /nfs/dbraw/zinc/83/95/63/531839563.db2.gz XZKLIZPEKYJHDF-CHWSQXEVSA-N 1 0 375.441 1.878 20 0 GDADRO C[C@H]1OCC[C@]12CN(CCS(=O)(=O)CC(=O)OC(C)(C)C)C[C@@H](C)O2 ZINC000367357581 531830902 /nfs/dbraw/zinc/83/09/02/531830902.db2.gz XJWLQOUOSCXIBV-CPUCHLNUSA-N 1 0 377.503 1.011 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000418595809 531831442 /nfs/dbraw/zinc/83/14/42/531831442.db2.gz XEJMNFMXLOVTKE-CYBMUJFWSA-N 1 0 397.317 1.915 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@H+](C)C2CC2)c1 ZINC000283126924 531831790 /nfs/dbraw/zinc/83/17/90/531831790.db2.gz ZKYZVCOCHLLMNC-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418836219 531848870 /nfs/dbraw/zinc/84/88/70/531848870.db2.gz QULZPPMGMNQGGK-SDJAHQOYSA-N 1 0 380.286 1.678 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418831316 531848880 /nfs/dbraw/zinc/84/88/80/531848880.db2.gz YPCYVYBBXIGBRF-NWDGAFQWSA-N 1 0 384.249 1.272 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418830742 531848952 /nfs/dbraw/zinc/84/89/52/531848952.db2.gz JXOZLKBMDUYYAZ-BSLXNSKLSA-N 1 0 380.286 1.535 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000418835944 531849213 /nfs/dbraw/zinc/84/92/13/531849213.db2.gz QKLCHHHKLMUBEU-XABYNWHXSA-N 1 0 394.313 1.865 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000418832818 531849342 /nfs/dbraw/zinc/84/93/42/531849342.db2.gz QCLYPLHBUAPENH-DZGCQCFKSA-N 1 0 380.286 1.619 20 0 GDADRO CC(C)CC[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000563530873 531849622 /nfs/dbraw/zinc/84/96/22/531849622.db2.gz QDKMXDKTJYXKSV-CYBMUJFWSA-N 1 0 375.457 1.234 20 0 GDADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000641697239 531850055 /nfs/dbraw/zinc/85/00/55/531850055.db2.gz BQOOUGSRLGSZRR-UHFFFAOYSA-N 1 0 388.555 1.977 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000418838704 531850116 /nfs/dbraw/zinc/85/01/16/531850116.db2.gz VYKVAFUKFDMZEU-LWWSYDQCSA-N 1 0 380.286 1.630 20 0 GDADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418838232 531850753 /nfs/dbraw/zinc/85/07/53/531850753.db2.gz XQRHGJMDZCXWRI-DUVNUKRYSA-N 1 0 394.313 1.927 20 0 GDADRO CC[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000298099097 531851608 /nfs/dbraw/zinc/85/16/08/531851608.db2.gz OMEDNIBQTUZOBD-KGLIPLIRSA-N 1 0 387.889 1.394 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CCN2C1=O ZINC000563548878 531851903 /nfs/dbraw/zinc/85/19/03/531851903.db2.gz AQZQHPTZCXTKPH-JOYOIKCWSA-N 1 0 391.686 1.829 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418846667 531853383 /nfs/dbraw/zinc/85/33/83/531853383.db2.gz SHDOCVLWBDWRMV-YWPYICTPSA-N 1 0 382.302 1.611 20 0 GDADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC[C@@H]1C[NH2+]CCO1 ZINC000563580812 531853713 /nfs/dbraw/zinc/85/37/13/531853713.db2.gz RVPPWNAUSFQJIW-BBRMVZONSA-N 1 0 397.317 1.563 20 0 GDADRO [NH3+]C/C=C/CNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000641868007 531854393 /nfs/dbraw/zinc/85/43/93/531854393.db2.gz YKSUXSBVEWUTQL-OWOJBTEDSA-N 1 0 385.281 1.930 20 0 GDADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC[C@H]1C[NH2+]CCO1 ZINC000563580815 531855035 /nfs/dbraw/zinc/85/50/35/531855035.db2.gz RVPPWNAUSFQJIW-XJKSGUPXSA-N 1 0 397.317 1.563 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000563571090 531855049 /nfs/dbraw/zinc/85/50/49/531855049.db2.gz MKOGRFUTKZLQMH-UKRRQHHQSA-N 1 0 379.592 1.236 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000418800221 531841045 /nfs/dbraw/zinc/84/10/45/531841045.db2.gz IPRKBABEFMKCAX-UHFFFAOYSA-N 1 0 387.311 1.491 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000418785049 531841215 /nfs/dbraw/zinc/84/12/15/531841215.db2.gz QMKCZQISEGWQAN-QMTHXVAHSA-N 1 0 384.274 1.188 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000418788944 531841260 /nfs/dbraw/zinc/84/12/60/531841260.db2.gz WCZCJJYAWJVQNM-XEGUGMAKSA-N 1 0 396.285 1.270 20 0 GDADRO CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624390530 531841457 /nfs/dbraw/zinc/84/14/57/531841457.db2.gz CXYBFWPWQNUCPK-QWRGUYRKSA-N 1 0 382.452 1.693 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1OC ZINC000624403996 531842455 /nfs/dbraw/zinc/84/24/55/531842455.db2.gz FLCZIGIEELHELV-KOLCDFICSA-N 1 0 375.878 1.127 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000298023902 531842568 /nfs/dbraw/zinc/84/25/68/531842568.db2.gz XVOFGGWVMKXDMI-OCCSQVGLSA-N 1 0 398.301 1.943 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Br)ccc1OC ZINC000624396105 531842763 /nfs/dbraw/zinc/84/27/63/531842763.db2.gz BNYYIMNFVJZJJW-UHFFFAOYSA-N 1 0 381.292 1.314 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000418801654 531842879 /nfs/dbraw/zinc/84/28/79/531842879.db2.gz JQMZJDXBUBYZCB-UHFFFAOYSA-N 1 0 387.311 1.410 20 0 GDADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563440118 531842925 /nfs/dbraw/zinc/84/29/25/531842925.db2.gz HNXPUOBKZAMOFG-HUUCEWRRSA-N 1 0 385.295 1.196 20 0 GDADRO C[C@H]1CC[C@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)C[NH2+]1 ZINC000624405204 531843306 /nfs/dbraw/zinc/84/33/06/531843306.db2.gz FUVLFGGNCBUNOT-CABZTGNLSA-N 1 0 375.288 1.803 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1F ZINC000624405147 531843460 /nfs/dbraw/zinc/84/34/60/531843460.db2.gz DCWWMTPETSGRRU-RYUDHWBXSA-N 1 0 393.506 1.395 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC1 ZINC000418810195 531844462 /nfs/dbraw/zinc/84/44/62/531844462.db2.gz OEJISABNLHTNKB-GHMZBOCLSA-N 1 0 386.315 1.693 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncnc(C(F)(F)F)c1Br ZINC000641678587 531846006 /nfs/dbraw/zinc/84/60/06/531846006.db2.gz YEKNATCGIAVNCG-QMMMGPOBSA-N 1 0 396.211 2.010 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000298043466 531846458 /nfs/dbraw/zinc/84/64/58/531846458.db2.gz GZQNEXWIJCWDCW-UHFFFAOYSA-N 1 0 390.253 1.530 20 0 GDADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418825879 531847514 /nfs/dbraw/zinc/84/75/14/531847514.db2.gz KCVXPJOTDUXVJY-AVGNSLFASA-N 1 0 398.276 1.900 20 0 GDADRO Cn1c(=O)cc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)n(C)c1=O ZINC000298072463 531848209 /nfs/dbraw/zinc/84/82/09/531848209.db2.gz HBYFPATXMCLPIE-CQSZACIVSA-N 1 0 382.258 1.012 20 0 GDADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000563958900 531867037 /nfs/dbraw/zinc/86/70/37/531867037.db2.gz AVXLQNLTPBQDKX-VHSXEESVSA-N 1 0 380.297 1.481 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CCC1)C(=O)N1CC[NH2+]CC1 ZINC000418939030 531867587 /nfs/dbraw/zinc/86/75/87/531867587.db2.gz QRMHWIHTRVCWAM-UHFFFAOYSA-N 1 0 380.286 1.419 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418945358 531869356 /nfs/dbraw/zinc/86/93/56/531869356.db2.gz KAASAPWNVGLZNV-STQMWFEESA-N 1 0 396.285 1.012 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3C[C@@H]([NH3+])Cc4ccccc43)cnc2c1Cl ZINC000643097703 531868580 /nfs/dbraw/zinc/86/85/80/531868580.db2.gz FCFVRCKWVYJVRP-LBPRGKRZSA-N 1 0 377.857 1.770 20 0 GDADRO CN(CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)S(=O)(=O)c1cccnc1 ZINC000642295635 531856361 /nfs/dbraw/zinc/85/63/61/531856361.db2.gz YRWZNXZKPUFKQB-HNNXBMFYSA-N 1 0 382.511 1.183 20 0 GDADRO CC[NH+](CC)CCNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000298144821 531856952 /nfs/dbraw/zinc/85/69/52/531856952.db2.gz OJQDIUAERDADPH-UHFFFAOYSA-N 1 0 392.319 1.185 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418865620 531857099 /nfs/dbraw/zinc/85/70/99/531857099.db2.gz LOCZZUYEXFJYGX-LBPRGKRZSA-N 1 0 387.311 1.932 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624785198 531857092 /nfs/dbraw/zinc/85/70/92/531857092.db2.gz WKDOMUAQHPXOQM-CQSZACIVSA-N 1 0 386.543 1.343 20 0 GDADRO CN1CCN(C(=O)N[C@H]2CSc3ccc(Br)cc32)[C@@H](C[NH3+])C1 ZINC000563592604 531857170 /nfs/dbraw/zinc/85/71/70/531857170.db2.gz BWEMNPONARMSEA-AAEUAGOBSA-N 1 0 385.331 1.880 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccc(Br)cc1 ZINC000418864212 531857374 /nfs/dbraw/zinc/85/73/74/531857374.db2.gz JZFCZGSOEUBLHD-WCUVEOEZSA-N 1 0 380.286 1.822 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000418862747 531857649 /nfs/dbraw/zinc/85/76/49/531857649.db2.gz IHIIGZHWRAGSBW-SJKOYZFVSA-N 1 0 380.286 1.838 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642327465 531858291 /nfs/dbraw/zinc/85/82/91/531858291.db2.gz CSCNXWPRBKJQSG-LBPRGKRZSA-N 1 0 382.302 1.755 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000418870718 531859141 /nfs/dbraw/zinc/85/91/41/531859141.db2.gz SLZDDHJEOREGFB-COPLHBTASA-N 1 0 383.290 1.750 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)cn1 ZINC000418870759 531859170 /nfs/dbraw/zinc/85/91/70/531859170.db2.gz STOPJLLDSFJFOW-MJVIPROJSA-N 1 0 383.290 1.655 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc(Br)cn1 ZINC000418873428 531860544 /nfs/dbraw/zinc/86/05/44/531860544.db2.gz XXFALMIAWBYNDX-VXGBXAGGSA-N 1 0 383.290 1.609 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2cc(Br)ccc2OC)CC[C@H]1[NH3+] ZINC000642687356 531861419 /nfs/dbraw/zinc/86/14/19/531861419.db2.gz UFVKNHHYQYXCSW-SMDDNHRTSA-N 1 0 398.301 1.660 20 0 GDADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H](C)O1 ZINC000563704632 531862605 /nfs/dbraw/zinc/86/26/05/531862605.db2.gz ADIDKDUREPFBIV-IIYDPXPESA-N 1 0 399.329 1.944 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000283438821 531862777 /nfs/dbraw/zinc/86/27/77/531862777.db2.gz BOWPUEBUGAXDBV-LRDDRELGSA-N 1 0 394.313 1.707 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418922994 531862972 /nfs/dbraw/zinc/86/29/72/531862972.db2.gz LSGGLLBWTAWYOM-LLVKDONJSA-N 1 0 386.265 1.363 20 0 GDADRO CC(C)[C@H]1CN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)CC[NH2+]1 ZINC000642769510 531863660 /nfs/dbraw/zinc/86/36/60/531863660.db2.gz NZARDPBKNKOTRZ-CYBMUJFWSA-N 1 0 388.299 1.373 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)cc1Br ZINC000642740713 531863870 /nfs/dbraw/zinc/86/38/70/531863870.db2.gz GMWPDHXGOCQYEP-UHFFFAOYSA-N 1 0 384.274 1.414 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000270371049 531863859 /nfs/dbraw/zinc/86/38/59/531863859.db2.gz LZRWFFQUMCZBTP-UHFFFAOYSA-N 1 0 388.917 1.662 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000642947685 531864320 /nfs/dbraw/zinc/86/43/20/531864320.db2.gz SYJMHLGNEOHBEY-INIZCTEOSA-N 1 0 381.274 1.825 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418931241 531864629 /nfs/dbraw/zinc/86/46/29/531864629.db2.gz CAEMDZUENXXYSV-IUODEOHRSA-N 1 0 398.301 1.672 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418932880 531865770 /nfs/dbraw/zinc/86/57/70/531865770.db2.gz HYRFLLCLMGEIGM-KGLIPLIRSA-N 1 0 384.249 1.557 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000673036577 531871260 /nfs/dbraw/zinc/87/12/60/531871260.db2.gz TWTDVVQYGPDXKF-SNVBAGLBSA-N 1 0 378.420 1.767 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000564958976 531871771 /nfs/dbraw/zinc/87/17/71/531871771.db2.gz HESLDDPMXJKXAQ-GFCCVEGCSA-N 1 0 391.921 1.702 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(I)c1 ZINC000595240911 531871871 /nfs/dbraw/zinc/87/18/71/531871871.db2.gz XJFDVDJKAQLZPG-UHFFFAOYSA-N 1 0 375.210 1.425 20 0 GDADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000564970888 531872130 /nfs/dbraw/zinc/87/21/30/531872130.db2.gz VLGRINHXFXNYMA-MNOVXSKESA-N 1 0 376.862 1.253 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCOc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000418958424 531872200 /nfs/dbraw/zinc/87/22/00/531872200.db2.gz YOGNPGIAPPJTMG-RISCZKNCSA-N 1 0 384.274 1.140 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418959516 531872618 /nfs/dbraw/zinc/87/26/18/531872618.db2.gz HHDYAFYFFFGSRU-LBPRGKRZSA-N 1 0 387.267 1.070 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cccc(I)c1 ZINC000564970842 531872943 /nfs/dbraw/zinc/87/29/43/531872943.db2.gz HWGXTLLLQSDMKV-RKDXNWHRSA-N 1 0 375.210 1.472 20 0 GDADRO COc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)nc1I ZINC000270453862 531873119 /nfs/dbraw/zinc/87/31/19/531873119.db2.gz CYTYRPGSEVGRTG-VIFPVBQESA-N 1 0 377.226 1.765 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c1OC ZINC000564970976 531873125 /nfs/dbraw/zinc/87/31/25/531873125.db2.gz ZBYMSAYBEKPVOA-ZJUUUORDSA-N 1 0 375.878 1.079 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)ccc1Br ZINC000595253550 531873299 /nfs/dbraw/zinc/87/32/99/531873299.db2.gz YJHIVPDIMIINQI-UHFFFAOYSA-N 1 0 396.241 1.042 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000283545918 531874695 /nfs/dbraw/zinc/87/46/95/531874695.db2.gz YDWJBBRPOISHSD-LLVKDONJSA-N 1 0 381.420 1.488 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418978305 531875130 /nfs/dbraw/zinc/87/51/30/531875130.db2.gz VZQVEEHFECPJSS-UWVGGRQHSA-N 1 0 394.273 1.137 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000283562344 531875522 /nfs/dbraw/zinc/87/55/22/531875522.db2.gz NMQVOUIXAHVNGV-DOMZBBRYSA-N 1 0 382.302 1.864 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418991361 531875902 /nfs/dbraw/zinc/87/59/02/531875902.db2.gz MPUXNPJUAXOYPU-UKRRQHHQSA-N 1 0 382.302 1.742 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000566059301 531876013 /nfs/dbraw/zinc/87/60/13/531876013.db2.gz NXCNWSWXDZMSHL-LBPRGKRZSA-N 1 0 392.319 1.172 20 0 GDADRO NC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000644054247 531877812 /nfs/dbraw/zinc/87/78/12/531877812.db2.gz RJUGOESHRYBFPF-WDEREUQCSA-N 1 0 376.201 1.337 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Br ZINC000419009453 531878637 /nfs/dbraw/zinc/87/86/37/531878637.db2.gz NGJSHJXDKXUIFG-SUHUHFCYSA-N 1 0 396.285 1.455 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CCC([NH3+])CC2)cc1Br ZINC000419008472 531878792 /nfs/dbraw/zinc/87/87/92/531878792.db2.gz LKUQVQLNLSEWGI-JTQLQIEISA-N 1 0 384.274 1.585 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)[C@@H]1C[NH3+] ZINC000419002931 531878876 /nfs/dbraw/zinc/87/88/76/531878876.db2.gz ZSTPPQBOJHNRDF-SWLSCSKDSA-N 1 0 382.302 1.694 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(I)c(F)c1 ZINC000566101768 531880332 /nfs/dbraw/zinc/88/03/32/531880332.db2.gz MZJCVXPYKMJFQR-JTQLQIEISA-N 1 0 377.201 1.064 20 0 GDADRO CC(C)[C@H](C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)[C@@H](C)[NH3+] ZINC000566097074 531880473 /nfs/dbraw/zinc/88/04/73/531880473.db2.gz LFXURFJZJJIWQR-YPMHNXCESA-N 1 0 387.468 1.421 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1Br ZINC000419012298 531880777 /nfs/dbraw/zinc/88/07/77/531880777.db2.gz VTQJNWPLKDXMQO-MNOVXSKESA-N 1 0 384.274 1.455 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000298370835 531881198 /nfs/dbraw/zinc/88/11/98/531881198.db2.gz DXHMPHBACUEEPO-UHFFFAOYSA-N 1 0 391.921 1.288 20 0 GDADRO C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[NH+](C)C ZINC000298372836 531881805 /nfs/dbraw/zinc/88/18/05/531881805.db2.gz VXPQXBMLYZJWQR-GFCCVEGCSA-N 1 0 389.905 1.041 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000566244517 531881980 /nfs/dbraw/zinc/88/19/80/531881980.db2.gz JHMGACWNOAAHQQ-UHFFFAOYSA-N 1 0 382.313 1.905 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000419020362 531881973 /nfs/dbraw/zinc/88/19/73/531881973.db2.gz KOCYDWHGVGVHFD-QWHCGFSZSA-N 1 0 382.258 1.242 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419031606 531884531 /nfs/dbraw/zinc/88/45/31/531884531.db2.gz AGRMVBZDAPZMIN-ZWNOBZJWSA-N 1 0 382.258 1.209 20 0 GDADRO COC(=O)CC[N@@H+]1CCN(Cc2cc(Br)cnc2OC)[C@H](C)C1 ZINC000595422246 531884601 /nfs/dbraw/zinc/88/46/01/531884601.db2.gz KNMVLMZHUTWFBI-GFCCVEGCSA-N 1 0 386.290 1.922 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000419025441 531883512 /nfs/dbraw/zinc/88/35/12/531883512.db2.gz SINAARZDNXCTRL-CYBMUJFWSA-N 1 0 384.318 1.954 20 0 GDADRO C[C@H](CNS(=O)(=O)Cc1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000283659891 531883747 /nfs/dbraw/zinc/88/37/47/531883747.db2.gz ZCZUTXMKNACDOU-CYBMUJFWSA-N 1 0 390.347 1.504 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419023317 531883750 /nfs/dbraw/zinc/88/37/50/531883750.db2.gz OXZQISGLMUNAKI-IUODEOHRSA-N 1 0 382.302 1.836 20 0 GDADRO CS[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)C[C@@H]1[NH+](C)C ZINC000270512599 531883888 /nfs/dbraw/zinc/88/38/88/531883888.db2.gz RETUGWBVLVQEOK-HOTGVXAUSA-N 1 0 385.555 1.491 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419034597 531884087 /nfs/dbraw/zinc/88/40/87/531884087.db2.gz DOFLOLWTRJOGST-QMMMGPOBSA-N 1 0 382.675 1.853 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419031604 531884187 /nfs/dbraw/zinc/88/41/87/531884187.db2.gz AGRMVBZDAPZMIN-GXFFZTMASA-N 1 0 382.258 1.209 20 0 GDADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C1SCCS1 ZINC000298249032 531869891 /nfs/dbraw/zinc/86/98/91/531869891.db2.gz DGJSHXYICXIECW-HNNXBMFYSA-N 1 0 379.551 1.424 20 0 GDADRO COc1ccc(C(=O)NCC(C)(C)[NH+](C)C)nc1I ZINC000270444000 531869920 /nfs/dbraw/zinc/86/99/20/531869920.db2.gz AZZMEXHZMDUKPV-UHFFFAOYSA-N 1 0 377.226 1.765 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419050490 531891462 /nfs/dbraw/zinc/89/14/62/531891462.db2.gz CZTCCEFIEXVZJA-MBNYWOFBSA-N 1 0 382.302 1.692 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419052353 531892541 /nfs/dbraw/zinc/89/25/41/531892541.db2.gz HOYUATSSCNTILR-YXQSOJMXSA-N 1 0 394.313 1.896 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419052792 531892888 /nfs/dbraw/zinc/89/28/88/531892888.db2.gz IJJDBDQFPBADKU-JMSVASOKSA-N 1 0 382.302 1.611 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000566728323 531893242 /nfs/dbraw/zinc/89/32/42/531893242.db2.gz BKHCHLXPTXAPAG-NSHDSACASA-N 1 0 376.284 1.978 20 0 GDADRO O=S(=O)([N-]CC(F)(F)F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368102649 531893729 /nfs/dbraw/zinc/89/37/29/531893729.db2.gz ZJYFTELQNYDIEK-LSDHHAIUSA-N 1 0 377.432 1.837 20 0 GDADRO CC(C)[NH2+]CC(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000595928590 531893677 /nfs/dbraw/zinc/89/36/77/531893677.db2.gz LYYNIJFZARUGMM-GFCCVEGCSA-N 1 0 392.237 1.145 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419058976 531895320 /nfs/dbraw/zinc/89/53/20/531895320.db2.gz XDTHVFFCBHSDEN-KOLCDFICSA-N 1 0 388.693 1.962 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419056329 531895522 /nfs/dbraw/zinc/89/55/22/531895522.db2.gz QPWOYXKCPZMKEK-NXEZZACHSA-N 1 0 388.693 1.914 20 0 GDADRO C[C@@H]1CN(C(=O)c2sc3c(c2I)CNC3)[C@H](C)C[NH2+]1 ZINC000595948353 531895602 /nfs/dbraw/zinc/89/56/02/531895602.db2.gz QVZMXEKBCRHHJJ-HTQZYQBOSA-N 1 0 391.278 1.778 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Cl ZINC000298503853 531895929 /nfs/dbraw/zinc/89/59/29/531895929.db2.gz OXZLWDHYUKBVKY-CABCVRRESA-N 1 0 385.917 1.947 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419059336 531896566 /nfs/dbraw/zinc/89/65/66/531896566.db2.gz XNMSMSNNQVZNHP-DZGCQCFKSA-N 1 0 384.318 1.986 20 0 GDADRO O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647871169 531899670 /nfs/dbraw/zinc/89/96/70/531899670.db2.gz UBMRDTSIZWDGAE-ZDUSSCGKSA-N 1 0 388.331 1.365 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674432358 531898446 /nfs/dbraw/zinc/89/84/46/531898446.db2.gz JNZJJDHKRKNNKW-VWYCJHECSA-N 1 0 376.345 1.614 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000419081823 531899723 /nfs/dbraw/zinc/89/97/23/531899723.db2.gz SIYGMKSYUBLCNN-QGZVFWFLSA-N 1 0 394.313 1.794 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000419082218 531899153 /nfs/dbraw/zinc/89/91/53/531899153.db2.gz TYWOSEJYTKRVLZ-QWHCGFSZSA-N 1 0 394.313 1.793 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595962028 531899322 /nfs/dbraw/zinc/89/93/22/531899322.db2.gz OGJWIIWLLPCJJU-HZPDHXFCSA-N 1 0 391.603 1.286 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000419034599 531884667 /nfs/dbraw/zinc/88/46/67/531884667.db2.gz DOJHELVZLCOBTI-JTQLQIEISA-N 1 0 394.686 1.962 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000419081613 531899397 /nfs/dbraw/zinc/89/93/97/531899397.db2.gz RXLAMBZGMLUNIY-GJZGRUSLSA-N 1 0 394.313 1.983 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C[C@H]1[NH3+] ZINC000419039070 531885756 /nfs/dbraw/zinc/88/57/56/531885756.db2.gz KJBJCFIOBULLQB-WQAKAFBOSA-N 1 0 382.258 1.195 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1nc(C(F)(F)F)cs1 ZINC000419036617 531885807 /nfs/dbraw/zinc/88/58/07/531885807.db2.gz BSECICMHORJFOT-SECBINFHSA-N 1 0 378.420 1.940 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccnc1OCC(F)F ZINC000625216897 531885882 /nfs/dbraw/zinc/88/58/82/531885882.db2.gz UYNCZKKFGGWDPV-OLZOCXBDSA-N 1 0 375.441 1.973 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000419039429 531886030 /nfs/dbraw/zinc/88/60/30/531886030.db2.gz HFXNAPPNTRNPNM-UWVGGRQHSA-N 1 0 375.803 1.753 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC[NH2+]1 ZINC000419039164 531886286 /nfs/dbraw/zinc/88/62/86/531886286.db2.gz KSWLTOZOINVWJS-CYBMUJFWSA-N 1 0 396.285 1.599 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419042406 531886925 /nfs/dbraw/zinc/88/69/25/531886925.db2.gz PCBMIZUIBWAMMP-GYSYKLTISA-N 1 0 396.285 1.585 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000419041215 531887274 /nfs/dbraw/zinc/88/72/74/531887274.db2.gz NJRPNMYSQXSBLA-QWHCGFSZSA-N 1 0 382.258 1.242 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1)c1nc(C(F)(F)F)cs1 ZINC000419041886 531887401 /nfs/dbraw/zinc/88/74/01/531887401.db2.gz KRQWKPOOJPFYMU-VHSXEESVSA-N 1 0 378.420 1.797 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000419040070 531887489 /nfs/dbraw/zinc/88/74/89/531887489.db2.gz LRNVTMCAHNEANG-NSHDSACASA-N 1 0 380.901 1.928 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419043205 531888134 /nfs/dbraw/zinc/88/81/34/531888134.db2.gz QQYIVHFHUULXIW-ZWNOBZJWSA-N 1 0 382.258 1.196 20 0 GDADRO COCCCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000368061169 531888333 /nfs/dbraw/zinc/88/83/33/531888333.db2.gz HXBWTDAKQQDNIL-PBHICJAKSA-N 1 0 378.510 1.251 20 0 GDADRO C[C@]1(CNC(=O)C(=O)NCc2ccc(Br)c(F)c2)CCC[NH2+]C1 ZINC000419046661 531889737 /nfs/dbraw/zinc/88/97/37/531889737.db2.gz YPSUOOZXIQLXRR-INIZCTEOSA-N 1 0 386.265 1.710 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419045062 531889966 /nfs/dbraw/zinc/88/99/66/531889966.db2.gz VOUUJWBIBYVCAF-BXUZGUMPSA-N 1 0 398.301 1.879 20 0 GDADRO COC(=O)CCOc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000596050160 531905398 /nfs/dbraw/zinc/90/53/98/531905398.db2.gz ITGNHCOPPMLOGO-GFCCVEGCSA-N 1 0 384.376 1.139 20 0 GDADRO CSc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000298619048 531905794 /nfs/dbraw/zinc/90/57/94/531905794.db2.gz UQNKPKNBDABJMC-WCQYABFASA-N 1 0 385.511 1.072 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)NCc2cc(F)ccc2Br)CCC[NH2+]C1 ZINC000419160353 531906089 /nfs/dbraw/zinc/90/60/89/531906089.db2.gz PTRJZNSZRNOMOX-MRXNPFEDSA-N 1 0 386.265 1.710 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccc(Br)cc1 ZINC000419156153 531906110 /nfs/dbraw/zinc/90/61/10/531906110.db2.gz UYVSGAVVDKMJHP-IACUBPJLSA-N 1 0 380.286 1.694 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000419161855 531906931 /nfs/dbraw/zinc/90/69/31/531906931.db2.gz FKECREKSUZBLEA-NWANDNLSSA-N 1 0 394.313 1.878 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368372004 531907938 /nfs/dbraw/zinc/90/79/38/531907938.db2.gz YSHGRPKNOWFURW-YGRLFVJLSA-N 1 0 392.253 1.256 20 0 GDADRO COc1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)sc1S(N)(=O)=O ZINC000674879949 531908080 /nfs/dbraw/zinc/90/80/80/531908080.db2.gz MKJXWTUTJFPBPV-UHFFFAOYSA-N 1 0 387.527 1.495 20 0 GDADRO O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000568500148 531908595 /nfs/dbraw/zinc/90/85/95/531908595.db2.gz KNDXDJUSYKOXNR-UHFFFAOYSA-N 1 0 383.539 1.891 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419171201 531908905 /nfs/dbraw/zinc/90/89/05/531908905.db2.gz XHGJGFHOZDTZLM-GXTWGEPZSA-N 1 0 382.302 1.817 20 0 GDADRO O=C(c1ccc(Cl)c(I)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000596098806 531908914 /nfs/dbraw/zinc/90/89/14/531908914.db2.gz NMWKKKFSCLYBSN-UHFFFAOYSA-N 1 0 392.624 1.759 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)c1Br ZINC000419166803 531908938 /nfs/dbraw/zinc/90/89/38/531908938.db2.gz PRNKGPOTNSVGDD-WCQYABFASA-N 1 0 398.301 1.603 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000568511536 531909474 /nfs/dbraw/zinc/90/94/74/531909474.db2.gz ONCNDBWBDRPHRT-BDAKNGLRSA-N 1 0 382.262 1.184 20 0 GDADRO [NH3+]C1(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CCC1 ZINC000568505700 531910012 /nfs/dbraw/zinc/91/00/12/531910012.db2.gz AFJBABWLVYHLAZ-NSHDSACASA-N 1 0 381.274 1.903 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[C@](C)(C[NH3+])C1 ZINC000568512623 531910170 /nfs/dbraw/zinc/91/01/70/531910170.db2.gz ZBZVJKSYQMLOMI-QGZVFWFLSA-N 1 0 388.555 1.315 20 0 GDADRO 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GDADRO NC(=O)c1c(F)cc(Br)cc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000678310745 531919729 /nfs/dbraw/zinc/91/97/29/531919729.db2.gz NUUUMWCQOATIKY-GXTWGEPZSA-N 1 0 386.265 1.723 20 0 GDADRO CC[C@H](C)[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000456541676 531919959 /nfs/dbraw/zinc/91/99/59/531919959.db2.gz DIDQMQKBIFWZGH-AWEZNQCLSA-N 1 0 387.933 1.903 20 0 GDADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419280816 531920801 /nfs/dbraw/zinc/92/08/01/531920801.db2.gz KNCVWQHKAHAEGJ-GFCCVEGCSA-N 1 0 387.311 1.062 20 0 GDADRO C[N@H+](CCC(=O)Nc1sccc1C(N)=O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000298791175 531921272 /nfs/dbraw/zinc/92/12/72/531921272.db2.gz YKCJYMCOXVSVGW-CHWSQXEVSA-N 1 0 387.527 1.463 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000419283199 531921264 /nfs/dbraw/zinc/92/12/64/531921264.db2.gz LLRJOORCYAJNPD-FPMFFAJLSA-N 1 0 380.286 1.694 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419265209 531921349 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[NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419331160 531923926 /nfs/dbraw/zinc/92/39/26/531923926.db2.gz JAINFUYPGWGGFF-LBPRGKRZSA-N 1 0 380.901 1.948 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)[C@@H](C)C[NH2+]1 ZINC000419340393 531924643 /nfs/dbraw/zinc/92/46/43/531924643.db2.gz WTTHFXKPNJXIDV-MNOVXSKESA-N 1 0 380.901 1.817 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000626165763 531925521 /nfs/dbraw/zinc/92/55/21/531925521.db2.gz FNHFGPIDWXZSML-BBRMVZONSA-N 1 0 383.539 1.751 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419211349 531915363 /nfs/dbraw/zinc/91/53/63/531915363.db2.gz XDFZSZUHBDWLKI-MRXNPFEDSA-N 1 0 384.274 1.271 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCc2ccccc2Br)CC1 ZINC000419212389 531915526 /nfs/dbraw/zinc/91/55/26/531915526.db2.gz ZZTRXTAUJMHECQ-GFCCVEGCSA-N 1 0 382.302 1.694 20 0 GDADRO CC[N@@H+]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[C@@H]1C ZINC000677181526 531916096 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COc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419361517 531930266 /nfs/dbraw/zinc/93/02/66/531930266.db2.gz SVNNGLCDRRQFAG-PHIMTYICSA-N 1 0 384.274 1.283 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2Br)CC12CCOCC2 ZINC000569811214 531930835 /nfs/dbraw/zinc/93/08/35/531930835.db2.gz XDQRVXSQPGOVRR-GFCCVEGCSA-N 1 0 389.315 1.825 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419404747 531931197 /nfs/dbraw/zinc/93/11/97/531931197.db2.gz RTIBGEMSNFRHBH-NSHDSACASA-N 1 0 389.283 1.389 20 0 GDADRO COc1cc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)sn1 ZINC000626465506 531932359 /nfs/dbraw/zinc/93/23/59/531932359.db2.gz IIHIZAGUJAKIPO-UHFFFAOYSA-N 1 0 384.483 1.244 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419475392 531935304 /nfs/dbraw/zinc/93/53/04/531935304.db2.gz HUGDPMSQUZGYNE-ZWNOBZJWSA-N 1 0 386.265 1.585 20 0 GDADRO C[C@H](C[S@](C)=O)[N@H+](C)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000298894416 531936339 /nfs/dbraw/zinc/93/63/39/531936339.db2.gz LQTXZDWLALBSCB-NDHGSNPTSA-N 1 0 385.555 1.753 20 0 GDADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419566972 531936650 /nfs/dbraw/zinc/93/66/50/531936650.db2.gz IVPDMTAZORYXGM-NWDGAFQWSA-N 1 0 388.295 1.535 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000570320846 531937690 /nfs/dbraw/zinc/93/76/90/531937690.db2.gz CHEMHUOXDFMYEU-LBPRGKRZSA-N 1 0 380.286 1.531 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419582315 531937981 /nfs/dbraw/zinc/93/79/81/531937981.db2.gz FKYIFPRBMSJGLC-HNNXBMFYSA-N 1 0 378.270 1.589 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CCOc3c(Br)cccc3C2)CC1 ZINC000684330818 531938428 /nfs/dbraw/zinc/93/84/28/531938428.db2.gz DNCCQBSFABRGPF-UHFFFAOYSA-N 1 0 382.302 1.808 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)C[C@@H]1C[NH3+] ZINC000419582317 531938531 /nfs/dbraw/zinc/93/85/31/531938531.db2.gz FLHRNFTWNLPSPY-BFQNTYOBSA-N 1 0 394.313 1.996 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CCOCC1 ZINC000626858956 531938797 /nfs/dbraw/zinc/93/87/97/531938797.db2.gz HDHFVARLMYXECQ-UHFFFAOYSA-N 1 0 377.775 1.504 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3ccc(Br)cc3)[C@@H]2C1 ZINC000284188155 531938955 /nfs/dbraw/zinc/93/89/55/531938955.db2.gz WFVOSDVVXWASRS-GDBMZVCRSA-N 1 0 394.313 1.660 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419349316 531927150 /nfs/dbraw/zinc/92/71/50/531927150.db2.gz DBFZBFCEZBTWAN-BXUZGUMPSA-N 1 0 398.301 1.802 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000270820446 531927201 /nfs/dbraw/zinc/92/72/01/531927201.db2.gz FBFBZXNEDSCBPS-UHFFFAOYSA-N 1 0 388.262 1.091 20 0 GDADRO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000569804004 531927435 /nfs/dbraw/zinc/92/74/35/531927435.db2.gz ICIQZMCTWDNSRV-SGMGOOAPSA-N 1 0 391.331 1.961 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)Cc1cccc(Br)c1 ZINC000419352168 531928183 /nfs/dbraw/zinc/92/81/83/531928183.db2.gz AGTXTIWXQYFUCQ-UONOGXRCSA-N 1 0 396.329 1.954 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000298836238 531928462 /nfs/dbraw/zinc/92/84/62/531928462.db2.gz HPTYJBPHFWZCBF-VHSXEESVSA-N 1 0 393.918 1.455 20 0 GDADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000270919104 531941379 /nfs/dbraw/zinc/94/13/79/531941379.db2.gz NJFBAJOLOYEVJJ-LLVKDONJSA-N 1 0 377.894 1.213 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626921167 531941437 /nfs/dbraw/zinc/94/14/37/531941437.db2.gz IFUITUWHZWOBCC-UHFFFAOYSA-N 1 0 399.289 1.503 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)Oc1ccccc1Br ZINC000419613737 531941527 /nfs/dbraw/zinc/94/15/27/531941527.db2.gz NWDGGTZZBKZZIG-NEPJUHHUSA-N 1 0 384.274 1.282 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000626930354 531941758 /nfs/dbraw/zinc/94/17/58/531941758.db2.gz PIFRGLYURAFONM-OAHLLOKOSA-N 1 0 388.921 1.258 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570868920 531941913 /nfs/dbraw/zinc/94/19/13/531941913.db2.gz ZJVWHDQTXOSQAP-KCPJHIHWSA-N 1 0 395.301 1.334 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)s1 ZINC000284229735 531942272 /nfs/dbraw/zinc/94/22/72/531942272.db2.gz LLEHWNGLNCPPIX-UHFFFAOYSA-N 1 0 385.559 1.505 20 0 GDADRO O=C(C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)N1CCC1 ZINC000298969976 531942945 /nfs/dbraw/zinc/94/29/45/531942945.db2.gz HWSGLCRZLXDTIV-UHFFFAOYSA-N 1 0 381.274 1.727 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(c2ncc3scc(Br)c3n2)CC1 ZINC000570941734 531943796 /nfs/dbraw/zinc/94/37/96/531943796.db2.gz JFDJFGMSELMOKE-UHFFFAOYSA-N 1 0 384.303 1.664 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000419622126 531943923 /nfs/dbraw/zinc/94/39/23/531943923.db2.gz SNHZJAMSBWFFKM-RYUDHWBXSA-N 1 0 384.274 1.140 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627131584 531944949 /nfs/dbraw/zinc/94/49/49/531944949.db2.gz SGBGBYKJQFRUJW-IUODEOHRSA-N 1 0 398.301 1.773 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)Oc1ccccc1Br ZINC000419625065 531945407 /nfs/dbraw/zinc/94/54/07/531945407.db2.gz WAZXCFTZMUFCPR-GFCCVEGCSA-N 1 0 384.274 1.155 20 0 GDADRO CSc1ccccc1CN(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000284295833 531946487 /nfs/dbraw/zinc/94/64/87/531946487.db2.gz XSXBLRQWTJQIRH-GOSISDBHSA-N 1 0 381.567 1.920 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCCC2(C[NH3+])CC2)c1 ZINC000652379050 531946848 /nfs/dbraw/zinc/94/68/48/531946848.db2.gz ZRLSPMZYDGBJMF-UHFFFAOYSA-N 1 0 376.320 1.922 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000571062087 531947325 /nfs/dbraw/zinc/94/73/25/531947325.db2.gz MGXZFDBIAOTMQZ-CYBMUJFWSA-N 1 0 388.299 1.456 20 0 GDADRO O=C(c1cc2c(cc1Br)OCO2)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627272066 531948449 /nfs/dbraw/zinc/94/84/49/531948449.db2.gz HGMZJZVESFEBKE-QWRGUYRKSA-N 1 0 383.242 1.459 20 0 GDADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)C(=O)NCCC[NH3+] ZINC000419656935 531948441 /nfs/dbraw/zinc/94/84/41/531948441.db2.gz VMXXFRZZCOVSEB-RNCFNFMXSA-N 1 0 386.315 1.813 20 0 GDADRO COC(=O)c1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)s1 ZINC000457146280 531949520 /nfs/dbraw/zinc/94/95/20/531949520.db2.gz IAEIIKYTCUTHQT-CYBMUJFWSA-N 1 0 383.539 1.621 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627302596 531950110 /nfs/dbraw/zinc/95/01/10/531950110.db2.gz SBCWDVFRGXPPDU-AWEZNQCLSA-N 1 0 398.276 1.648 20 0 GDADRO CCc1cnc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000627392642 531951029 /nfs/dbraw/zinc/95/10/29/531951029.db2.gz AZKMAOLVZKSHFX-MWLCHTKSSA-N 1 0 378.420 1.307 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000626867536 531939893 /nfs/dbraw/zinc/93/98/93/531939893.db2.gz DGFRHAULFXXDBX-UHFFFAOYSA-N 1 0 394.269 1.893 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)Oc1cccc(Br)c1 ZINC000419604456 531940084 /nfs/dbraw/zinc/94/00/84/531940084.db2.gz CEDFHOKQNLFXIL-UPJWGTAASA-N 1 0 398.301 1.528 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000626867446 531940501 /nfs/dbraw/zinc/94/05/01/531940501.db2.gz BQVBJWKIGWHJLE-UHFFFAOYSA-N 1 0 380.189 1.018 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCn2cc(Br)ccc2=O)C[C@@H]1C ZINC000571992897 531956814 /nfs/dbraw/zinc/95/68/14/531956814.db2.gz SGUFCZSKTDXMGE-STQMWFEESA-N 1 0 385.306 1.735 20 0 GDADRO C[NH+](C)CCn1nnnc1SCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000572154981 531959276 /nfs/dbraw/zinc/95/92/76/531959276.db2.gz WJJPJVBMKTTXHX-UHFFFAOYSA-N 1 0 382.856 1.900 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccccc1Br ZINC000572183336 531961130 /nfs/dbraw/zinc/96/11/30/531961130.db2.gz LAPDYCGDAPLFHO-IAQYHMDHSA-N 1 0 380.286 1.664 20 0 GDADRO COc1ncc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1Cl ZINC000572193722 531961202 /nfs/dbraw/zinc/96/12/02/531961202.db2.gz MCHVKIIGWWRRER-WCQYABFASA-N 1 0 376.910 1.665 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C(=O)OC)c1ccc(OC)c(Cl)c1 ZINC000572326486 531963555 /nfs/dbraw/zinc/96/35/55/531963555.db2.gz VZMUIXZDFXZCGP-HNNXBMFYSA-N 1 0 392.905 1.824 20 0 GDADRO Cn1ncc(I)c1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000597662915 531952457 /nfs/dbraw/zinc/95/24/57/531952457.db2.gz BNAITQQXWDNYEB-UHFFFAOYSA-N 1 0 388.253 1.583 20 0 GDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457330226 531952518 /nfs/dbraw/zinc/95/25/18/531952518.db2.gz PIQWPQLMFLJUSS-HZPDHXFCSA-N 1 0 379.302 1.898 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000627461622 531952691 /nfs/dbraw/zinc/95/26/91/531952691.db2.gz VJWGLAOIKDDMCK-LSDHHAIUSA-N 1 0 382.302 1.707 20 0 GDADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627474263 531954196 /nfs/dbraw/zinc/95/41/96/531954196.db2.gz JVHZFCIJEIEZCX-AWEZNQCLSA-N 1 0 398.301 1.292 20 0 GDADRO CCc1nncn1CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000571754108 531954399 /nfs/dbraw/zinc/95/43/99/531954399.db2.gz HMPGZPWUFDYFGO-CYBMUJFWSA-N 1 0 387.253 1.772 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000627468709 531954483 /nfs/dbraw/zinc/95/44/83/531954483.db2.gz CARWVLAXJYDNNL-LSDHHAIUSA-N 1 0 396.285 1.217 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cc(Br)cc3c2OCC3)CC[NH2+]1 ZINC000419683074 531955056 /nfs/dbraw/zinc/95/50/56/531955056.db2.gz WJMLPRZJYVKDCM-YGRLFVJLSA-N 1 0 396.285 1.257 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000419684592 531955299 /nfs/dbraw/zinc/95/52/99/531955299.db2.gz YWQBRJXSKATQMY-UHFFFAOYSA-N 1 0 393.285 1.757 20 0 GDADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)C(=O)NCC1C[NH2+]C1 ZINC000419754104 531964729 /nfs/dbraw/zinc/96/47/29/531964729.db2.gz BDXFVESGPOEVIT-UHFFFAOYSA-N 1 0 382.194 1.547 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419755260 531964856 /nfs/dbraw/zinc/96/48/56/531964856.db2.gz CUJSWVPLAOPBIZ-AAEUAGOBSA-N 1 0 387.311 1.660 20 0 GDADRO COC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000271094642 531964850 /nfs/dbraw/zinc/96/48/50/531964850.db2.gz LJILUOXFEJVBRN-GXTWGEPZSA-N 1 0 388.511 1.148 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419754485 531965471 /nfs/dbraw/zinc/96/54/71/531965471.db2.gz AJKRGJZRLAKRCX-GYSYKLTISA-N 1 0 396.285 1.455 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000419754184 531965612 /nfs/dbraw/zinc/96/56/12/531965612.db2.gz ZMRBCTJGTCXYFW-HOTGVXAUSA-N 1 0 394.313 1.836 20 0 GDADRO CCN(C(=O)c1c(I)cnn1C)[C@H]1CC[N@H+](CC)C1 ZINC000598038590 531966681 /nfs/dbraw/zinc/96/66/81/531966681.db2.gz DTIXZPQJOCTJOG-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419784185 531969332 /nfs/dbraw/zinc/96/93/32/531969332.db2.gz ULYIEFXLVZEZEO-UHIISALHSA-N 1 0 398.301 1.831 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419785134 531969439 /nfs/dbraw/zinc/96/94/39/531969439.db2.gz VTBGJHKOAHQEMX-AWEZNQCLSA-N 1 0 386.265 1.833 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000419784769 531969467 /nfs/dbraw/zinc/96/94/67/531969467.db2.gz VGKKQIWIQYGMQD-YPMHNXCESA-N 1 0 398.301 1.845 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419808438 531971787 /nfs/dbraw/zinc/97/17/87/531971787.db2.gz GCTWGSBCMFJTEV-MBNYWOFBSA-N 1 0 382.302 1.692 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419809026 531971865 /nfs/dbraw/zinc/97/18/65/531971865.db2.gz HAYDXVKXEAAOEO-DOMZBBRYSA-N 1 0 396.329 1.957 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419805908 531972349 /nfs/dbraw/zinc/97/23/49/531972349.db2.gz FAWXYSYASKMRJQ-AGIUHOORSA-N 1 0 382.302 1.705 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573001364 531973287 /nfs/dbraw/zinc/97/32/87/531973287.db2.gz NGOKWQDRRBQMNG-LSDHHAIUSA-N 1 0 396.329 1.828 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000572992650 531973835 /nfs/dbraw/zinc/97/38/35/531973835.db2.gz XEMQJZWJWUDWBF-NSHDSACASA-N 1 0 395.305 1.374 20 0 GDADRO CCOc1ccc(Br)cc1CN(C(=O)C(=O)NCCC[NH3+])C1CC1 ZINC000419830335 531975038 /nfs/dbraw/zinc/97/50/38/531975038.db2.gz KDKRJEPYELNSIW-UHFFFAOYSA-N 1 0 398.301 1.804 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000419831527 531975374 /nfs/dbraw/zinc/97/53/74/531975374.db2.gz HTJRNKWKDSXXNT-AWEZNQCLSA-N 1 0 383.290 1.317 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000419831854 531975430 /nfs/dbraw/zinc/97/54/30/531975430.db2.gz MMYNSGDQMQUJEN-AWEZNQCLSA-N 1 0 384.274 1.204 20 0 GDADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419836012 531975638 /nfs/dbraw/zinc/97/56/38/531975638.db2.gz BDDAFQIHVHYZSD-GFCCVEGCSA-N 1 0 388.693 1.929 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419827492 531975659 /nfs/dbraw/zinc/97/56/59/531975659.db2.gz UAMVMDGQDJANEV-UHFFFAOYSA-N 1 0 388.251 1.929 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419842385 531977258 /nfs/dbraw/zinc/97/72/58/531977258.db2.gz LKGTYFJGZQFATK-YPMHNXCESA-N 1 0 386.279 1.841 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000419846097 531977832 /nfs/dbraw/zinc/97/78/32/531977832.db2.gz OXUGHKBJWRCSID-CQSZACIVSA-N 1 0 386.265 1.977 20 0 GDADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000628757006 531978238 /nfs/dbraw/zinc/97/82/38/531978238.db2.gz ZTMFKGAGGSBZOP-LBPRGKRZSA-N 1 0 393.289 1.887 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419849399 531978442 /nfs/dbraw/zinc/97/84/42/531978442.db2.gz YKBFQFCSIXUBDP-NWDGAFQWSA-N 1 0 380.286 1.763 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000419963972 531991799 /nfs/dbraw/zinc/99/17/99/531991799.db2.gz VOWMVQCMSGAPME-JTQLQIEISA-N 1 0 376.320 1.959 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000419960342 531991850 /nfs/dbraw/zinc/99/18/50/531991850.db2.gz YBHPQGHZOPEDPH-AWEZNQCLSA-N 1 0 390.242 1.368 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000419963778 531991853 /nfs/dbraw/zinc/99/18/53/531991853.db2.gz WIVCTGSJTGIURA-YGRLFVJLSA-N 1 0 386.265 1.963 20 0 GDADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420002117 531994298 /nfs/dbraw/zinc/99/42/98/531994298.db2.gz SDSQUBSVDXGHPM-RHSMWYFYSA-N 1 0 389.949 1.975 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC[C@H]2CCC[NH2+]2)s1 ZINC000573357606 531980592 /nfs/dbraw/zinc/98/05/92/531980592.db2.gz GNXDRHADCLTNER-CABCVRRESA-N 1 0 385.555 1.858 20 0 GDADRO CC[C@@H](CN(C)C(=O)C(=O)NCC[NH2+]C)Oc1ccc(Cl)c(Cl)c1 ZINC000419880162 531980875 /nfs/dbraw/zinc/98/08/75/531980875.db2.gz UJYUTNINHCFXFL-NSHDSACASA-N 1 0 376.284 1.945 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000573370122 531981870 /nfs/dbraw/zinc/98/18/70/531981870.db2.gz VGBLVONSWYNZSP-CABCVRRESA-N 1 0 386.539 1.409 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419888849 531982344 /nfs/dbraw/zinc/98/23/44/531982344.db2.gz GFSFAXOKDJEWLF-ZDUSSCGKSA-N 1 0 386.265 1.805 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419905488 531983526 /nfs/dbraw/zinc/98/35/26/531983526.db2.gz YZTXNHJGDWYTOV-LSDHHAIUSA-N 1 0 380.286 1.981 20 0 GDADRO COC(=O)C1(CS(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)CCC1 ZINC000573414531 531983677 /nfs/dbraw/zinc/98/36/77/531983677.db2.gz HTIARSDEBBOVQR-KGLIPLIRSA-N 1 0 376.544 1.171 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000419909534 531984635 /nfs/dbraw/zinc/98/46/35/531984635.db2.gz GDKJCMKWWPCILZ-NSHDSACASA-N 1 0 398.276 1.589 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000458438614 531984851 /nfs/dbraw/zinc/98/48/51/531984851.db2.gz QGVCAWLABQTQCE-NSHDSACASA-N 1 0 396.289 1.845 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NCC[C@H]1CC[NH2+]C1)CC2 ZINC000419910950 531985137 /nfs/dbraw/zinc/98/51/37/531985137.db2.gz IVKOGDABKRALMN-CYBMUJFWSA-N 1 0 394.313 1.758 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419914996 531985203 /nfs/dbraw/zinc/98/52/03/531985203.db2.gz OULLLVPSGBMKLL-LLVKDONJSA-N 1 0 386.265 1.662 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)CCc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419907092 531985316 /nfs/dbraw/zinc/98/53/16/531985316.db2.gz XKQOTEUQSWBVSS-DZGCQCFKSA-N 1 0 396.329 1.954 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419921212 531986085 /nfs/dbraw/zinc/98/60/85/531986085.db2.gz NFIWZHAMIAVJGQ-GXTWGEPZSA-N 1 0 394.313 1.838 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419927608 531986501 /nfs/dbraw/zinc/98/65/01/531986501.db2.gz WPFDSSCBAJWNRF-NWDGAFQWSA-N 1 0 380.286 1.448 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656943114 531987132 /nfs/dbraw/zinc/98/71/32/531987132.db2.gz JLHGJDCAHLMTJA-ZDUSSCGKSA-N 1 0 383.283 1.320 20 0 GDADRO O[C@@H](C[NH+]1CCN(c2ccc(Br)cc2)CC1)CC1(O)CCOCC1 ZINC000630051296 531989232 /nfs/dbraw/zinc/98/92/32/531989232.db2.gz OZGYFPQGENNXLM-QGZVFWFLSA-N 1 0 399.329 1.864 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000419948200 531989603 /nfs/dbraw/zinc/98/96/03/531989603.db2.gz YVSYEXSKLYTRLW-BXUZGUMPSA-N 1 0 384.274 1.060 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Br)c[nH]c3=O)C2)CC1 ZINC000598683271 531991414 /nfs/dbraw/zinc/99/14/14/531991414.db2.gz FGCUJCSYUFOJIE-ZDUSSCGKSA-N 1 0 383.290 1.402 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1 ZINC000419970693 531991436 /nfs/dbraw/zinc/99/14/36/531991436.db2.gz CEHQTZOVXXZBQG-MRXNPFEDSA-N 1 0 387.274 1.668 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000420013414 531995716 /nfs/dbraw/zinc/99/57/16/531995716.db2.gz JBMDGGGSUCZZCE-BBRMVZONSA-N 1 0 394.313 1.968 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ncc1Br ZINC000370622761 531996662 /nfs/dbraw/zinc/99/66/62/531996662.db2.gz RACQLLOVQKQRQJ-VXGBXAGGSA-N 1 0 381.274 1.834 20 0 GDADRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ncc(Br)cn1 ZINC000458841710 531997753 /nfs/dbraw/zinc/99/77/53/531997753.db2.gz OVXIROYRAYYCMP-WCQYABFASA-N 1 0 386.294 1.446 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000370673928 532000462 /nfs/dbraw/zinc/00/04/62/532000462.db2.gz QTBYADWFBDCBCF-VHSXEESVSA-N 1 0 393.278 1.827 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420098527 532001335 /nfs/dbraw/zinc/00/13/35/532001335.db2.gz DKZARTDKKIEOIT-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO CS[C@H]1CN(C(=O)c2cnn3cc(Br)cnc23)C[C@@H]1[NH+](C)C ZINC000271327765 532003690 /nfs/dbraw/zinc/00/36/90/532003690.db2.gz MPCPXDCRLWDGBT-RYUDHWBXSA-N 1 0 384.303 1.609 20 0 GDADRO COCCOCCS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000370959005 532003824 /nfs/dbraw/zinc/00/38/24/532003824.db2.gz JBQSHFYBVXBHEA-ZBFHGGJFSA-N 1 0 376.544 1.713 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420107548 532002896 /nfs/dbraw/zinc/00/28/96/532002896.db2.gz BBDZEXIYBURART-SWLSCSKDSA-N 1 0 382.302 1.912 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599105717 532005986 /nfs/dbraw/zinc/00/59/86/532005986.db2.gz ZURVOKVCEJQYSN-DTWKUNHWSA-N 1 0 386.417 1.683 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000574980997 532007063 /nfs/dbraw/zinc/00/70/63/532007063.db2.gz DSLOHMTWWGBLTO-OAHLLOKOSA-N 1 0 397.317 1.915 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)cc2SC)CC1 ZINC000657524402 532007628 /nfs/dbraw/zinc/00/76/28/532007628.db2.gz YIAYBILYZNXMKY-UHFFFAOYSA-N 1 0 384.933 1.754 20 0 GDADRO CN(C)c1ncc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)s1 ZINC000657562878 532008579 /nfs/dbraw/zinc/00/85/79/532008579.db2.gz KBOHVVLPJGGZSR-UHFFFAOYSA-N 1 0 384.303 1.886 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000420220975 532008621 /nfs/dbraw/zinc/00/86/21/532008621.db2.gz ZOAAQQDGSFJOSM-NHYWBVRUSA-N 1 0 380.286 1.577 20 0 GDADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420207227 532008837 /nfs/dbraw/zinc/00/88/37/532008837.db2.gz TWBQLMLDRDLUDS-OAHLLOKOSA-N 1 0 398.301 1.291 20 0 GDADRO CN(C)c1ncc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)n1C ZINC000657562125 532009178 /nfs/dbraw/zinc/00/91/78/532009178.db2.gz CEBZPESRSDCENU-UHFFFAOYSA-N 1 0 381.278 1.163 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000575312368 532010212 /nfs/dbraw/zinc/01/02/12/532010212.db2.gz NYRSOCPMIKEDIR-OPQQBVKSSA-N 1 0 384.274 1.631 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c(Br)c1 ZINC000420418102 532012659 /nfs/dbraw/zinc/01/26/59/532012659.db2.gz CEEXUNLIMPANJT-CABZTGNLSA-N 1 0 391.287 1.736 20 0 GDADRO CS[C@@H]1CN(C(=O)c2nccn3c(Br)cnc23)C[C@@H]1[NH+](C)C ZINC000271416039 532013068 /nfs/dbraw/zinc/01/30/68/532013068.db2.gz YNQSMNFTTMKINB-VHSXEESVSA-N 1 0 384.303 1.609 20 0 GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420449947 532014509 /nfs/dbraw/zinc/01/45/09/532014509.db2.gz GRVAQGNSXBNQAO-NSHDSACASA-N 1 0 384.479 1.345 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000420450196 532014558 /nfs/dbraw/zinc/01/45/58/532014558.db2.gz OUTSTVHVLBRXEE-ZDUSSCGKSA-N 1 0 391.921 1.702 20 0 GDADRO CC[C@H](C[NH2+]Cc1cn(CC(N)=O)nn1)Cc1cccc(Br)c1 ZINC000459440465 532014704 /nfs/dbraw/zinc/01/47/04/532014704.db2.gz GQCRDDOIPWLSPD-LBPRGKRZSA-N 1 0 380.290 1.884 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000420448972 532014820 /nfs/dbraw/zinc/01/48/20/532014820.db2.gz FIFGNXHKRCJGBF-NWDGAFQWSA-N 1 0 393.506 1.382 20 0 GDADRO CCOc1cc(C[NH2+]CCS(=O)(=O)NC(C)C)cc(Br)c1O ZINC000459421208 532015165 /nfs/dbraw/zinc/01/51/65/532015165.db2.gz DIGPLXHUNVTMFF-UHFFFAOYSA-N 1 0 395.319 1.971 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000299643713 532013926 /nfs/dbraw/zinc/01/39/26/532013926.db2.gz UZNHGXFBMSWNQX-UHFFFAOYSA-N 1 0 398.348 1.245 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000420452941 532015856 /nfs/dbraw/zinc/01/58/56/532015856.db2.gz JMXANAAJQSIPEC-MWLCHTKSSA-N 1 0 391.287 1.641 20 0 GDADRO [NH3+]CC[C@H](NS(=O)(=O)c1cccc(I)c1)C(F)F ZINC000420459509 532017620 /nfs/dbraw/zinc/01/76/20/532017620.db2.gz KDKJCGASWZVOQA-VIFPVBQESA-N 1 0 390.193 1.552 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000420453578 532016348 /nfs/dbraw/zinc/01/63/48/532016348.db2.gz VCEUPUWGDVJINT-UHFFFAOYSA-N 1 0 391.287 1.656 20 0 GDADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)sn1 ZINC000632171220 532016988 /nfs/dbraw/zinc/01/69/88/532016988.db2.gz VVQBRAASMWPKDX-JKSUJKDBSA-N 1 0 381.523 1.613 20 0 GDADRO CCOc1cc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc(Br)c1O ZINC000459496189 532018469 /nfs/dbraw/zinc/01/84/69/532018469.db2.gz 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1.961 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000332152659 532167036 /nfs/dbraw/zinc/16/70/36/532167036.db2.gz LUYIYRVVKOYGOQ-JQWIXIFHSA-N 1 0 398.276 1.669 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)[C@@H](C)C[NH2+]1 ZINC000332197357 532169819 /nfs/dbraw/zinc/16/98/19/532169819.db2.gz ZJVPWBMTAPCVOQ-SUNKGSAMSA-N 1 0 396.285 1.598 20 0 GDADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CCC(N)=O ZINC000286546381 532158123 /nfs/dbraw/zinc/15/81/23/532158123.db2.gz SDIPQLAXSWDAJF-SECBINFHSA-N 1 0 375.210 1.425 20 0 GDADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000426051879 532161153 /nfs/dbraw/zinc/16/11/53/532161153.db2.gz QTDVECUJRCMXCW-LSDHHAIUSA-N 1 0 380.576 1.525 20 0 GDADRO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)s1 ZINC000426143122 532162655 /nfs/dbraw/zinc/16/26/55/532162655.db2.gz YBMMLYYUWWPEMR-LLVKDONJSA-N 1 0 377.432 1.927 20 0 GDADRO Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000375713284 532180025 /nfs/dbraw/zinc/18/00/25/532180025.db2.gz BURMOMQKQUFNSN-ZDUSSCGKSA-N 1 0 384.527 1.009 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(F)cc1Br ZINC000332372035 532182916 /nfs/dbraw/zinc/18/29/16/532182916.db2.gz ZCMQCJJUWKMBFL-WDEREUQCSA-N 1 0 384.249 1.903 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1[NH+](C)C ZINC000273799623 532171050 /nfs/dbraw/zinc/17/10/50/532171050.db2.gz ZPBNGSVAWUWCHB-GJZGRUSLSA-N 1 0 386.543 1.446 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2ccccc2N(C)S(C)(=O)=O)C[C@H]1[NH+](C)C ZINC000273821406 532173044 /nfs/dbraw/zinc/17/30/44/532173044.db2.gz KFUXDSINPYZBCR-CABCVRRESA-N 1 0 386.543 1.592 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000332511112 532191723 /nfs/dbraw/zinc/19/17/23/532191723.db2.gz UXFFLJQMEKUZJW-GHMZBOCLSA-N 1 0 398.276 1.859 20 0 GDADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000287069016 532194167 /nfs/dbraw/zinc/19/41/67/532194167.db2.gz 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CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](CC[NH3+])c3ccccc32)cn1 ZINC000376102368 532195415 /nfs/dbraw/zinc/19/54/15/532195415.db2.gz HLHBJZPZCHZUKI-LBPRGKRZSA-N 1 0 381.479 1.126 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428036003 532196787 /nfs/dbraw/zinc/19/67/87/532196787.db2.gz QMDKIQYCGMZUQB-PBHICJAKSA-N 1 0 396.329 1.970 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000287128469 532197417 /nfs/dbraw/zinc/19/74/17/532197417.db2.gz LBIOIZJXRKUEFX-UHFFFAOYSA-N 1 0 390.933 1.977 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)C[C@H]1C[NH3+] ZINC000332620890 532200603 /nfs/dbraw/zinc/20/06/03/532200603.db2.gz RDFRNRWVQBENOO-IUODEOHRSA-N 1 0 394.313 1.777 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000427599329 532187146 /nfs/dbraw/zinc/18/71/46/532187146.db2.gz OEJOOCCKUUUHKZ-PELKAZGASA-N 1 0 384.221 1.895 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC[NH2+]1 ZINC000332459450 532188300 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C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000332771796 532209454 /nfs/dbraw/zinc/20/94/54/532209454.db2.gz COKRGJSLPBLNTL-GJZGRUSLSA-N 1 0 385.555 1.892 20 0 GDADRO CCOc1cc(C[NH2+]CCNS(=O)(=O)NC(C)C)cc(Cl)c1OC ZINC000428568565 532210882 /nfs/dbraw/zinc/21/08/82/532210882.db2.gz UDEKQMRVYWMCQV-UHFFFAOYSA-N 1 0 379.910 1.669 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000332817891 532211125 /nfs/dbraw/zinc/21/11/25/532211125.db2.gz QDJSXTBLCYJFIV-GJZGRUSLSA-N 1 0 385.555 1.892 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@H+](CC)CCO ZINC000274442390 532211174 /nfs/dbraw/zinc/21/11/74/532211174.db2.gz LPLNNRRXDJETLJ-UHFFFAOYSA-N 1 0 386.290 1.380 20 0 GDADRO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000332814087 532211491 /nfs/dbraw/zinc/21/14/91/532211491.db2.gz SHCPPJPGUCHVPF-OLZOCXBDSA-N 1 0 379.448 1.483 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000428582829 532212030 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O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333274616 532228058 /nfs/dbraw/zinc/22/80/58/532228058.db2.gz DCYPYBRKCDYENL-OAHLLOKOSA-N 1 0 392.587 1.528 20 0 GDADRO O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000376779685 532229019 /nfs/dbraw/zinc/22/90/19/532229019.db2.gz SZGIIHCYMVZNDG-GFCCVEGCSA-N 1 0 381.395 1.513 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)s1 ZINC000376779099 532229041 /nfs/dbraw/zinc/22/90/41/532229041.db2.gz QVDARZIGXAIXHF-CYBMUJFWSA-N 1 0 398.959 1.569 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000429454557 532229074 /nfs/dbraw/zinc/22/90/74/532229074.db2.gz PXDUSQXUPXAKOA-NSHDSACASA-N 1 0 396.326 1.941 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333304303 532229185 /nfs/dbraw/zinc/22/91/85/532229185.db2.gz MGLBCNNNAGCTRJ-HIFRSBDPSA-N 1 0 383.539 1.286 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)s1 ZINC000333344414 532229635 /nfs/dbraw/zinc/22/96/35/532229635.db2.gz UHFFTRDLQQEXLC-ILXRZTDVSA-N 1 0 383.539 1.278 20 0 GDADRO Cc1csc([C@@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C(F)(F)F)n1 ZINC000333324877 532229801 /nfs/dbraw/zinc/22/98/01/532229801.db2.gz NLIAAEYZAHQQQA-NWDGAFQWSA-N 1 0 377.436 1.744 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[NH2+][C@@H]3C)CC2)c(C)s1 ZINC000333321645 532230208 /nfs/dbraw/zinc/23/02/08/532230208.db2.gz UPJZCOLJAFFKGF-HIFRSBDPSA-N 1 0 385.555 1.586 20 0 GDADRO C[C@@H](NC(=O)CCC(=O)NCC(C)(C)[NH3+])C(=O)c1ccc(Br)cc1 ZINC000429654928 532232070 /nfs/dbraw/zinc/23/20/70/532232070.db2.gz VIYGBAGURAMNQE-LLVKDONJSA-N 1 0 398.301 1.770 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3nc(C(F)(F)F)cs3)[C@H]2C1 ZINC000287659550 532232060 /nfs/dbraw/zinc/23/20/60/532232060.db2.gz KBWADZJJVMHVIS-UWVGGRQHSA-N 1 0 376.404 1.331 20 0 GDADRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000429721436 532233150 /nfs/dbraw/zinc/23/31/50/532233150.db2.gz RKQSHWYQKKPTIH-ZIAGYGMSSA-N 1 0 389.905 1.737 20 0 GDADRO C[C@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@H]1CCC[NH2+]C1 ZINC000428976241 532220088 /nfs/dbraw/zinc/22/00/88/532220088.db2.gz ITBQWRFCNPXBMS-RYUDHWBXSA-N 1 0 393.285 1.663 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429841201 532235703 /nfs/dbraw/zinc/23/57/03/532235703.db2.gz DOQGLBKLTMUDSV-UHFFFAOYSA-N 1 0 385.313 1.555 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000287777832 532240895 /nfs/dbraw/zinc/24/08/95/532240895.db2.gz RVVSLGBQROLABM-SNVBAGLBSA-N 1 0 378.420 1.626 20 0 GDADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccc3c(c1)OC(F)(F)O3)CCO2 ZINC000333632454 532243174 /nfs/dbraw/zinc/24/31/74/532243174.db2.gz VXNWWPODOLZPFT-IUODEOHRSA-N 1 0 375.393 1.834 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(OC)cc1Br ZINC000333666545 532243913 /nfs/dbraw/zinc/24/39/13/532243913.db2.gz MKGDEOCZCOUALN-KOLCDFICSA-N 1 0 391.287 1.449 20 0 GDADRO O=C(COC1C[NH2+]C1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000430231389 532244404 /nfs/dbraw/zinc/24/44/04/532244404.db2.gz CFBFTUICLYJWQC-UHFFFAOYSA-N 1 0 396.285 1.615 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430174445 532244470 /nfs/dbraw/zinc/24/44/70/532244470.db2.gz YYIIAOKMYOXPPN-HUUCEWRRSA-N 1 0 399.329 1.685 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000333692821 532245080 /nfs/dbraw/zinc/24/50/80/532245080.db2.gz PWNXAXGBNNEHDT-UWVGGRQHSA-N 1 0 378.424 1.658 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000287875182 532247676 /nfs/dbraw/zinc/24/76/76/532247676.db2.gz ZNSABBACIRXAFZ-PSASIEDQSA-N 1 0 376.404 1.377 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000333755875 532248719 /nfs/dbraw/zinc/24/87/19/532248719.db2.gz ZSKQDNWKYICRPJ-UONOGXRCSA-N 1 0 381.274 1.384 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@@H]1C ZINC000333787798 532250143 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387.571 1.897 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)s1 ZINC000333521098 532238921 /nfs/dbraw/zinc/23/89/21/532238921.db2.gz GQEREJDOPCOPBK-UONOGXRCSA-N 1 0 386.543 1.037 20 0 GDADRO O=C(Nc1nnc(C(F)(F)F)s1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000377760113 532271545 /nfs/dbraw/zinc/27/15/45/532271545.db2.gz ITBWHPJKKINOEH-SECBINFHSA-N 1 0 379.408 2.179 20 0 GDADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333909862 532255550 /nfs/dbraw/zinc/25/55/50/532255550.db2.gz DRUSJOQFYLNEKD-YPMHNXCESA-N 1 0 382.258 1.724 20 0 GDADRO C[C@H](CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[S@](C)=O ZINC000430731024 532256022 /nfs/dbraw/zinc/25/60/22/532256022.db2.gz KUJNXRXKODHOLF-ARNPGYACSA-N 1 0 397.360 1.904 20 0 GDADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000430720408 532256495 /nfs/dbraw/zinc/25/64/95/532256495.db2.gz JLVYJZXDTTXXSA-JTQLQIEISA-N 1 0 379.935 1.574 20 0 GDADRO C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 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CO[C@@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H](C[NH3+])C1 ZINC000391207473 532298029 /nfs/dbraw/zinc/29/80/29/532298029.db2.gz QNGDJJMEMYARCY-ZIAGYGMSSA-N 1 0 381.274 1.395 20 0 GDADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000288596380 532298192 /nfs/dbraw/zinc/29/81/92/532298192.db2.gz NKXYNABILBZDNB-GFCCVEGCSA-N 1 0 385.306 1.820 20 0 GDADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)c1ccc(Cl)nc1 ZINC000288628461 532299706 /nfs/dbraw/zinc/29/97/06/532299706.db2.gz NNCKJDFKRSQEGT-UHFFFAOYSA-N 1 0 384.889 1.939 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000400143289 532303736 /nfs/dbraw/zinc/30/37/36/532303736.db2.gz MFAZPZSHBOSZEJ-ZFWWWQNUSA-N 1 0 389.543 1.012 20 0 GDADRO O=C(COc1ccc(Br)cc1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405289911 532306551 /nfs/dbraw/zinc/30/65/51/532306551.db2.gz XKYMSVQZGDIYMJ-NWDGAFQWSA-N 1 0 389.677 1.759 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405561641 532307092 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Cc1cc(=O)n2nc(C[N@H+](C)CCn3cc(Br)cn3)sc2n1 ZINC000288972869 532312435 /nfs/dbraw/zinc/31/24/35/532312435.db2.gz YULTVYIPGBYYSG-UHFFFAOYSA-N 1 0 383.275 1.550 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000289053574 532314626 /nfs/dbraw/zinc/31/46/26/532314626.db2.gz BLYMGRXCULCAJO-LBPRGKRZSA-N 1 0 383.543 1.353 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(Br)n1 ZINC000289087282 532315157 /nfs/dbraw/zinc/31/51/57/532315157.db2.gz OYPHEKMAHHNPDP-RYUDHWBXSA-N 1 0 381.274 1.868 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289162122 532316917 /nfs/dbraw/zinc/31/69/17/532316917.db2.gz GZKLGGCKIFGKOF-GUYCJALGSA-N 1 0 385.917 1.609 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000289502769 532326229 /nfs/dbraw/zinc/32/62/29/532326229.db2.gz QAYPNSHNTDRILH-UHFFFAOYSA-N 1 0 389.949 1.791 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289204773 532318194 /nfs/dbraw/zinc/31/81/94/532318194.db2.gz JXAIOUOBZFNLAA-DZGCQCFKSA-N 1 0 382.302 1.723 20 0 GDADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000289286953 532320915 /nfs/dbraw/zinc/32/09/15/532320915.db2.gz UAHWEWQRPDRLPY-UHFFFAOYSA-N 1 0 392.257 1.495 20 0 GDADRO CCN(C(=O)C[NH2+][C@@H](c1cccs1)C(C)(C)CO)[C@@H]1CCS(=O)(=O)C1 ZINC000289315141 532321469 /nfs/dbraw/zinc/32/14/69/532321469.db2.gz JNBSIUYTOIDQFK-CJNGLKHVSA-N 1 0 388.555 1.433 20 0 GDADRO C[N@H+](C[C@H](O)CN1CCNC(=O)[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000289358498 532322279 /nfs/dbraw/zinc/32/22/79/532322279.db2.gz MLFIPBGBPHGTAX-HOTGVXAUSA-N 1 0 382.302 1.377 20 0 GDADRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276230051 532323803 /nfs/dbraw/zinc/32/38/03/532323803.db2.gz NIEGIGFKLKRRAP-UHFFFAOYSA-N 1 0 377.532 1.657 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000276322622 532327092 /nfs/dbraw/zinc/32/70/92/532327092.db2.gz WWRNUVDKMMKHLM-UHFFFAOYSA-N 1 0 389.905 1.482 20 0 GDADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000289848631 532333054 /nfs/dbraw/zinc/33/30/54/532333054.db2.gz FQZUEFKWUWZSEH-HUUCEWRRSA-N 1 0 385.555 1.586 20 0 GDADRO COC(=O)CNC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000359996252 206276501 /nfs/dbraw/zinc/27/65/01/206276501.db2.gz QUJYXCRYFMKUOO-ZNMIVQPWSA-N 1 0 383.489 1.291 20 0 GDADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000359979122 206276186 /nfs/dbraw/zinc/27/61/86/206276186.db2.gz QFRKXEFYBJDPGP-MRXNPFEDSA-N 1 0 381.480 1.979 20 0 GDADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1sccc1-n1cnnn1 ZINC000072008565 136166921 /nfs/dbraw/zinc/16/69/21/136166921.db2.gz APMFJGUQXKNXHO-UHFFFAOYSA-N 1 0 397.508 1.666 20 0 GDADRO O=C1N[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000333648669 570822374 /nfs/dbraw/zinc/82/23/74/570822374.db2.gz JLWGLECYQNYTQP-JKSUJKDBSA-N 1 0 398.916 1.249 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CC[NH+](C2CCC2)CC1 ZINC000737522979 598852719 /nfs/dbraw/zinc/85/27/19/598852719.db2.gz FYKGRKQRZWTEII-UHFFFAOYSA-N 1 0 379.472 1.561 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000737523833 598853285 /nfs/dbraw/zinc/85/32/85/598853285.db2.gz JQYMSPRQPAEFDC-KRWDZBQOSA-N 1 0 381.488 1.663 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000736227672 598870313 /nfs/dbraw/zinc/87/03/13/598870313.db2.gz MBMQHRFQYZNNEV-STQMWFEESA-N 1 0 396.492 1.652 20 0 GDADRO COC(=O)[C@@H](N[C@@H](Cc1ccccc1)C[NH+](C)C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736895483 598881256 /nfs/dbraw/zinc/88/12/56/598881256.db2.gz JYMSBOLTTCFKLB-OALUTQOASA-N 1 0 394.479 1.843 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000737298084 598953653 /nfs/dbraw/zinc/95/36/53/598953653.db2.gz NURRTMYGHUMEQV-ZDUSSCGKSA-N 1 0 392.529 1.964 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000737297675 598951664 /nfs/dbraw/zinc/95/16/64/598951664.db2.gz JRQHEGQRXPGEKX-KBPBESRZSA-N 1 0 392.529 1.821 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@H]1CCCN1Cc1ccccc1)C2 ZINC000738432761 598963649 /nfs/dbraw/zinc/96/36/49/598963649.db2.gz LNAIJCMBPCVLQP-DLBZAZTESA-N 1 0 393.499 1.359 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000737033334 598980923 /nfs/dbraw/zinc/98/09/23/598980923.db2.gz UGOLUWITRDROIZ-INIZCTEOSA-N 1 0 388.472 1.051 20 0 GDADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)c2)CC1 ZINC000736862301 598997024 /nfs/dbraw/zinc/99/70/24/598997024.db2.gz BIQQDOVRVKQDLB-UHFFFAOYSA-N 1 0 378.440 1.261 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)C[C@@H]1C ZINC000736565025 599007852 /nfs/dbraw/zinc/00/78/52/599007852.db2.gz FXRGBLPTTRCJGR-DZGCQCFKSA-N 1 0 378.502 1.668 20 0 GDADRO CN(C(=O)c1ccc(-c2nn[nH]n2)nc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000736749785 599026510 /nfs/dbraw/zinc/02/65/10/599026510.db2.gz RMBDHOWAOOBGIM-UHFFFAOYSA-N 1 0 392.467 1.436 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736857396 599034175 /nfs/dbraw/zinc/03/41/75/599034175.db2.gz NFGNQNFHIAFUFB-YJBOKZPZSA-N 1 0 383.500 1.636 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000737739833 599071020 /nfs/dbraw/zinc/07/10/20/599071020.db2.gz KUERXRIAVYTOOM-SCTDSRPQSA-N 1 0 389.463 1.461 20 0 GDADRO NC(=O)[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735359 599089779 /nfs/dbraw/zinc/08/97/79/599089779.db2.gz CJYRUICOVVBUPU-LJQANCHMSA-N 1 0 391.479 1.779 20 0 GDADRO COc1cccc(CC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1OC ZINC000737132083 599093941 /nfs/dbraw/zinc/09/39/41/599093941.db2.gz VBLYEEBGURTNTE-INIZCTEOSA-N 1 0 382.424 1.243 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736292964 599102936 /nfs/dbraw/zinc/10/29/36/599102936.db2.gz SBGJTLNYGCUMAL-QMTHXVAHSA-N 1 0 391.863 1.257 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CC[C@H](CCO)C1 ZINC000735570555 599139882 /nfs/dbraw/zinc/13/98/82/599139882.db2.gz NQNIHGZUBKLIIB-WDEREUQCSA-N 1 0 376.486 1.448 20 0 GDADRO CCOCC[N@@H+]1CCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1CC ZINC000736617266 599201434 /nfs/dbraw/zinc/20/14/34/599201434.db2.gz BZAACGNWDOQLRX-GOSISDBHSA-N 1 0 386.500 1.759 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1C ZINC000820978373 607275551 /nfs/dbraw/zinc/27/55/51/607275551.db2.gz ANMJYPAKHOHMEA-CQSZACIVSA-N 1 0 385.472 1.494 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cccc1-c1nn[nH]n1 ZINC000822045712 607276683 /nfs/dbraw/zinc/27/66/83/607276683.db2.gz RZGQLZCCDYXNTR-OAHLLOKOSA-N 1 0 387.488 1.596 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2ccc(-c3nn[nH]n3)s2)c1 ZINC000822864553 607313723 /nfs/dbraw/zinc/31/37/23/607313723.db2.gz DBGDTHAPALDIGZ-HNNXBMFYSA-N 1 0 383.481 1.990 20 0 GDADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000735904932 599282619 /nfs/dbraw/zinc/28/26/19/599282619.db2.gz WWRLRBKXZUXCNV-UHFFFAOYSA-N 1 0 389.460 1.049 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000821579764 607332616 /nfs/dbraw/zinc/33/26/16/607332616.db2.gz MVFRAHXXHJIUSO-MRXNPFEDSA-N 1 0 397.414 1.363 20 0 GDADRO c1c2c(nc(N3CCC(CC[NH+]4CCOCC4)CC3)c1-c1nn[nH]n1)CCC2 ZINC000738404629 598243431 /nfs/dbraw/zinc/24/34/31/598243431.db2.gz HJMCUFPLUZWNTF-UHFFFAOYSA-N 1 0 383.500 1.689 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736534180 598258280 /nfs/dbraw/zinc/25/82/80/598258280.db2.gz OABCDKYVSYIMPA-GFCCVEGCSA-N 1 0 383.460 1.095 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1cc(-c2nn[nH]n2)ccc1C ZINC000736530893 598265071 /nfs/dbraw/zinc/26/50/71/598265071.db2.gz OMISDSHRNBYRIU-UHFFFAOYSA-N 1 0 375.477 1.997 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735984578 598270325 /nfs/dbraw/zinc/27/03/25/598270325.db2.gz FGIIWDSZNRUQNL-CQSZACIVSA-N 1 0 387.488 1.760 20 0 GDADRO FC(F)COc1cccc(C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)c1 ZINC000737639249 598286381 /nfs/dbraw/zinc/28/63/81/598286381.db2.gz PPXZNEZVOIMVNM-UHFFFAOYSA-N 1 0 386.366 1.843 20 0 GDADRO CC[NH+]1CCC(CNC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736565835 598303789 /nfs/dbraw/zinc/30/37/89/598303789.db2.gz ROHRSEHBNBRXLI-UHFFFAOYSA-N 1 0 398.515 1.430 20 0 GDADRO CC[NH+]1CCC(N(C)C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1 ZINC000736565005 598307581 /nfs/dbraw/zinc/30/75/81/598307581.db2.gz FHMITYCLNKAQDY-UHFFFAOYSA-N 1 0 395.471 1.191 20 0 GDADRO C[NH+]1CCN(CCNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736862337 598319127 /nfs/dbraw/zinc/31/91/27/598319127.db2.gz BUWQZXJZXWRGGX-UHFFFAOYSA-N 1 0 380.909 1.054 20 0 GDADRO CC(C)[C@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000735751171 598333639 /nfs/dbraw/zinc/33/36/39/598333639.db2.gz USTODTVBQBFGGT-MRXNPFEDSA-N 1 0 383.456 1.709 20 0 GDADRO CN(c1cccnn1)C1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736842801 598340808 /nfs/dbraw/zinc/34/08/08/598340808.db2.gz DXUVDHREIDINQR-UHFFFAOYSA-N 1 0 380.456 1.636 20 0 GDADRO CCN1CCN(C2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)C1=O ZINC000736570113 598348796 /nfs/dbraw/zinc/34/87/96/598348796.db2.gz NKMBJYPHRIAEIZ-UHFFFAOYSA-N 1 0 385.472 1.467 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736858803 598357602 /nfs/dbraw/zinc/35/76/02/598357602.db2.gz BQTIDRFKXBDIPH-OAHLLOKOSA-N 1 0 382.424 1.863 20 0 GDADRO Cc1cnn(CC2CC[NH+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737444570 598368223 /nfs/dbraw/zinc/36/82/23/598368223.db2.gz NIBRTGVVGNWSKF-SFHVURJKSA-N 1 0 397.483 1.524 20 0 GDADRO O=C(N[C@H]1CCCOC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738027228 598374955 /nfs/dbraw/zinc/37/49/55/598374955.db2.gz XOFRPURLAOZLQI-KRWDZBQOSA-N 1 0 385.472 1.263 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736229727 598402747 /nfs/dbraw/zinc/40/27/47/598402747.db2.gz RPLLTMHZLVGXJX-HUUCEWRRSA-N 1 0 399.499 1.081 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736982549 598413058 /nfs/dbraw/zinc/41/30/58/598413058.db2.gz ZBXWNFUSYVZOKV-CQSZACIVSA-N 1 0 387.488 1.728 20 0 GDADRO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@@H](C)O ZINC000736146958 598415965 /nfs/dbraw/zinc/41/59/65/598415965.db2.gz LPTWPHOKWTYNNK-LLVKDONJSA-N 1 0 378.502 1.837 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736003084 598434177 /nfs/dbraw/zinc/43/41/77/598434177.db2.gz WEOVXLQPNNIPGN-CYBMUJFWSA-N 1 0 395.471 1.239 20 0 GDADRO COc1cccc([C@H](CNC(=O)c2ccc(-c3nn[nH]n3)cn2)[NH+]2CCCC2)c1 ZINC000737128192 598456723 /nfs/dbraw/zinc/45/67/23/598456723.db2.gz SNFYHPVBEJDWMM-SFHVURJKSA-N 1 0 393.451 1.837 20 0 GDADRO COc1ccccc1[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC000737142366 598456740 /nfs/dbraw/zinc/45/67/40/598456740.db2.gz NCPDBWLLVGURRU-KRWDZBQOSA-N 1 0 393.451 1.837 20 0 GDADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738048347 598463047 /nfs/dbraw/zinc/46/30/47/598463047.db2.gz FLLGUYYMWSTAIR-UHFFFAOYSA-N 1 0 383.481 1.965 20 0 GDADRO CC(C)(C)OC(=O)N(CC[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)C1CC1 ZINC000735623695 598465988 /nfs/dbraw/zinc/46/59/88/598465988.db2.gz LFOYVRVPLTWHTC-UHFFFAOYSA-N 1 0 399.459 1.399 20 0 GDADRO O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000737793244 598467953 /nfs/dbraw/zinc/46/79/53/598467953.db2.gz WYQJDCBFLRHIMR-MOPGFXCFSA-N 1 0 395.511 1.922 20 0 GDADRO Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H]([NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1C ZINC000737547204 598470900 /nfs/dbraw/zinc/47/09/00/598470900.db2.gz IIKWMYMQBINKNU-UKRRQHHQSA-N 1 0 387.488 1.964 20 0 GDADRO CN(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000736765706 598493532 /nfs/dbraw/zinc/49/35/32/598493532.db2.gz ZTILEUYBQKDZIO-MRXNPFEDSA-N 1 0 377.456 1.172 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1-c1nn[nH]n1 ZINC000737190465 598497257 /nfs/dbraw/zinc/49/72/57/598497257.db2.gz ZHEXOTPRHVJZMA-NSHDSACASA-N 1 0 387.513 1.933 20 0 GDADRO Cc1nc(SCC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737481973 598497939 /nfs/dbraw/zinc/49/79/39/598497939.db2.gz DFEHNUSPIMGZNB-AWEZNQCLSA-N 1 0 389.529 1.737 20 0 GDADRO Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H]([NH2+]C(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000737547741 598505514 /nfs/dbraw/zinc/50/55/14/598505514.db2.gz KBQJFQOCUUDXRO-OCCSQVGLSA-N 1 0 375.477 1.866 20 0 GDADRO CC[NH+](CC)CC1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736533701 598508615 /nfs/dbraw/zinc/50/86/15/598508615.db2.gz IVCBDGBVJTVPRU-UHFFFAOYSA-N 1 0 377.518 1.921 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738343076 598510987 /nfs/dbraw/zinc/51/09/87/598510987.db2.gz PBMZMHGLFNTPAF-NSHDSACASA-N 1 0 382.877 1.283 20 0 GDADRO O=C(Nc1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 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389.847 1.154 20 0 GDADRO CCCCCC[N@H+](C)CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736449614 598718396 /nfs/dbraw/zinc/71/83/96/598718396.db2.gz ZODMHIFDYAKDII-UHFFFAOYSA-N 1 0 386.504 1.422 20 0 GDADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@H](O)COCc1ccccc1 ZINC000736802340 598727728 /nfs/dbraw/zinc/72/77/28/598727728.db2.gz QFDKUTUWOZTODE-SFHVURJKSA-N 1 0 383.452 1.755 20 0 GDADRO CN(C(=O)CCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736851501 598742852 /nfs/dbraw/zinc/74/28/52/598742852.db2.gz JMPNFRRWQVPUQM-IBGZPJMESA-N 1 0 397.527 1.426 20 0 GDADRO COc1ccc([C@H](CO)[N@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737077304 598821008 /nfs/dbraw/zinc/82/10/08/598821008.db2.gz VVLUNTLTUSTFQB-LPHOPBHVSA-N 1 0 399.451 1.280 20 0 GDADRO CC[N@H+](CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[nH]n1)C1CC1 ZINC000736536380 598821023 /nfs/dbraw/zinc/82/10/23/598821023.db2.gz BJZXODZUAHAYEK-UHFFFAOYSA-N 1 0 389.529 1.880 20 0 GDADRO CNC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 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Cc1cccn2c(C[NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)cnc12 ZINC000822366605 599426151 /nfs/dbraw/zinc/42/61/51/599426151.db2.gz OWTBRWYLPFOVLB-UHFFFAOYSA-N 1 0 389.467 1.976 20 0 GDADRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000821723816 599441461 /nfs/dbraw/zinc/44/14/61/599441461.db2.gz JQHXPYRATXGGOL-KRWDZBQOSA-N 1 0 385.424 1.716 20 0 GDADRO CSC[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737175684 599455927 /nfs/dbraw/zinc/45/59/27/599455927.db2.gz GGJFSDSUQNVWGD-AWEZNQCLSA-N 1 0 389.529 1.836 20 0 GDADRO CCN(C(=O)CCN1CC[NH+](CC)CC1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821268081 599456680 /nfs/dbraw/zinc/45/66/80/599456680.db2.gz SEVGYTQFUHOTEM-INIZCTEOSA-N 1 0 385.516 1.804 20 0 GDADRO COc1ccccc1O[C@@H](C)C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821903403 599458132 /nfs/dbraw/zinc/45/81/32/599458132.db2.gz GCQNCZCUIRFJNQ-STQMWFEESA-N 1 0 384.444 1.171 20 0 GDADRO Cc1ccc(C(=O)NCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737313244 599486443 /nfs/dbraw/zinc/48/64/43/599486443.db2.gz SAVCWOBTDOQQJR-UHFFFAOYSA-N 1 0 376.424 1.342 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000735624731 599489929 /nfs/dbraw/zinc/48/99/29/599489929.db2.gz AKJLYSQMBRSJCS-ZDUSSCGKSA-N 1 0 384.444 1.613 20 0 GDADRO C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820404492 599512134 /nfs/dbraw/zinc/51/21/34/599512134.db2.gz WMVNDCHXBDZALP-CQSZACIVSA-N 1 0 392.467 1.505 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NCC[N@@H+]3CCOC(C)(C)C3)c2c1 ZINC000822196267 599514311 /nfs/dbraw/zinc/51/43/11/599514311.db2.gz BOMCOIICHZVOJR-UHFFFAOYSA-N 1 0 381.484 1.976 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000822204182 599531954 /nfs/dbraw/zinc/53/19/54/599531954.db2.gz HFLXCJCCUHAVHP-CHWSQXEVSA-N 1 0 385.447 1.754 20 0 GDADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2N1CC[NH+](CC2CCOCC2)CC1 ZINC000823798414 599565835 /nfs/dbraw/zinc/56/58/35/599565835.db2.gz 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/nfs/dbraw/zinc/67/72/57/599677257.db2.gz UASDCAGLUONVNI-MRXNPFEDSA-N 1 0 385.472 1.515 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000820129323 599697659 /nfs/dbraw/zinc/69/76/59/599697659.db2.gz ZIJBOGFWPYAGHJ-UHFFFAOYSA-N 1 0 384.488 1.031 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)s1 ZINC000822267093 607391084 /nfs/dbraw/zinc/39/10/84/607391084.db2.gz OGSBEJUSFLUPTH-UHFFFAOYSA-N 1 0 384.512 1.366 20 0 GDADRO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000736206147 599850150 /nfs/dbraw/zinc/85/01/50/599850150.db2.gz TVAMBLVNWDNMEE-INIZCTEOSA-N 1 0 381.517 1.132 20 0 GDADRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC1 ZINC000736474362 600122429 /nfs/dbraw/zinc/12/24/29/600122429.db2.gz LQZYGDHGEMAYHY-UHFFFAOYSA-N 1 0 389.500 1.451 20 0 GDADRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC000820240493 607436310 /nfs/dbraw/zinc/43/63/10/607436310.db2.gz BYONDPFGMRPWEF-LBPRGKRZSA-N 1 0 389.460 1.049 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824262104 607446304 /nfs/dbraw/zinc/44/63/04/607446304.db2.gz XQLDDKXLDYHZKX-KRWDZBQOSA-N 1 0 399.499 1.512 20 0 GDADRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826398646 607460924 /nfs/dbraw/zinc/46/09/24/607460924.db2.gz BAQRELZOGKAOPV-KRWDZBQOSA-N 1 0 396.499 1.317 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000826175152 607471013 /nfs/dbraw/zinc/47/10/13/607471013.db2.gz VGBXLNNVRYIBRA-MRXNPFEDSA-N 1 0 396.451 1.673 20 0 GDADRO CCNC(=O)COc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821286346 607474782 /nfs/dbraw/zinc/47/47/82/607474782.db2.gz QDWBMASJNMZUMM-UHFFFAOYSA-N 1 0 384.415 1.811 20 0 GDADRO O=C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410543 607478381 /nfs/dbraw/zinc/47/83/81/607478381.db2.gz QFNFODPXNMUSOU-IEBWSBKVSA-N 1 0 395.511 1.432 20 0 GDADRO CN(C(=O)CC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000825817840 607479836 /nfs/dbraw/zinc/47/98/36/607479836.db2.gz QDIHBRBQCJZGRS-UHFFFAOYSA-N 1 0 392.467 1.437 20 0 GDADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)nc2)C1 ZINC000821583525 607506260 /nfs/dbraw/zinc/50/62/60/607506260.db2.gz YMZJOYDCRBMXKM-CQSZACIVSA-N 1 0 379.428 1.049 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261483 607514342 /nfs/dbraw/zinc/51/43/42/607514342.db2.gz LKVIUIRHNYGIJZ-AWEZNQCLSA-N 1 0 385.472 1.289 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cccc1-c1nn[nH]n1 ZINC000826240575 607515674 /nfs/dbraw/zinc/51/56/74/607515674.db2.gz AIPUQQALSWCKKX-HNNXBMFYSA-N 1 0 399.499 1.598 20 0 GDADRO O=S(=O)(CC[NH2+][C@@]1(CO)CCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000826485104 607530307 /nfs/dbraw/zinc/53/03/07/607530307.db2.gz CCQLQVFYVLQXBH-LJQANCHMSA-N 1 0 399.476 1.064 20 0 GDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738622607 601943643 /nfs/dbraw/zinc/94/36/43/601943643.db2.gz FGWUJYXLRNVJNQ-FUHWJXTLSA-N 1 0 388.512 1.745 20 0 GDADRO CC(C)(CO)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000824162925 607570620 /nfs/dbraw/zinc/57/06/20/607570620.db2.gz UTHNZNUMIBAGDX-WMLDXEAASA-N 1 0 396.499 1.497 20 0 GDADRO CCC[NH+]1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)CC1 ZINC000825328828 607579859 /nfs/dbraw/zinc/57/98/59/607579859.db2.gz XPGUSJGSXVQNOD-UHFFFAOYSA-N 1 0 384.893 1.673 20 0 GDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000824770134 607595646 /nfs/dbraw/zinc/59/56/46/607595646.db2.gz FHJBSZXVJVLMOV-GDBMZVCRSA-N 1 0 398.492 1.981 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000825285303 607601566 /nfs/dbraw/zinc/60/15/66/607601566.db2.gz PKZUYDIJGQHDLW-CQSZACIVSA-N 1 0 378.502 1.800 20 0 GDADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1ccccc1-c1nn[nH]n1 ZINC000826491163 607614225 /nfs/dbraw/zinc/61/42/25/607614225.db2.gz WQMSTYDKCUYTOW-UHFFFAOYSA-N 1 0 378.502 1.801 20 0 GDADRO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccncc2Br)CC1 ZINC000529042399 649935313 /nfs/dbraw/zinc/93/53/13/649935313.db2.gz RJBIAVXSVMCJGO-UHFFFAOYSA-N 1 0 383.290 1.985 20 0 GDADRO CC[C@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](C)O ZINC000825206105 607635057 /nfs/dbraw/zinc/63/50/57/607635057.db2.gz ZLSPMMDTVGKWOC-YPMHNXCESA-N 1 0 377.424 1.315 20 0 GDADRO O=C1C[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000826478618 607645266 /nfs/dbraw/zinc/64/52/66/607645266.db2.gz GTTDQKGKQKARRO-UXLLHSPISA-N 1 0 396.451 1.247 20 0 GDADRO O=S(=O)(c1ccc(F)cc1-c1nn[nH]n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000826495246 607649437 /nfs/dbraw/zinc/64/94/37/607649437.db2.gz IIWLILVSODSKQS-ZDUSSCGKSA-N 1 0 394.476 1.502 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000825302086 607654533 /nfs/dbraw/zinc/65/45/33/607654533.db2.gz WEFHUHKNDWJMQF-LBPRGKRZSA-N 1 0 398.920 1.873 20 0 GDADRO Cc1cccc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)c1-c1nn[nH]n1 ZINC000826303187 607659427 /nfs/dbraw/zinc/65/94/27/607659427.db2.gz DCPCNNDDZJDLFW-UHFFFAOYSA-N 1 0 380.518 1.962 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000825902625 607659564 /nfs/dbraw/zinc/65/95/64/607659564.db2.gz XSJRFBQKMUJPDH-CQSZACIVSA-N 1 0 376.486 1.219 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000826250311 607662710 /nfs/dbraw/zinc/66/27/10/607662710.db2.gz VEGSQCMPJBLQEZ-UHFFFAOYSA-N 1 0 393.451 1.719 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)C(C)(C)C[NH+](C)C ZINC000824640541 607667148 /nfs/dbraw/zinc/66/71/48/607667148.db2.gz KNPBTJOVWOLWOF-SNVBAGLBSA-N 1 0 386.909 1.775 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000826243978 607676741 /nfs/dbraw/zinc/67/67/41/607676741.db2.gz CHYDHVVSPVJASI-UHFFFAOYSA-N 1 0 384.484 1.750 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(F)c(Br)cc2F)CCCO1 ZINC000529370964 649941797 /nfs/dbraw/zinc/94/17/97/649941797.db2.gz UQPJPXCCNILRBG-SNVBAGLBSA-N 1 0 378.217 1.987 20 0 GDADRO C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000824516143 607718845 /nfs/dbraw/zinc/71/88/45/607718845.db2.gz WOJBJOOEUZFVAY-LBPRGKRZSA-N 1 0 398.446 1.577 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)cc2)C1 ZINC000826390177 607719427 /nfs/dbraw/zinc/71/94/27/607719427.db2.gz RWLYUNKJZHHTMB-ZDUSSCGKSA-N 1 0 394.439 1.144 20 0 GDADRO O=C([O-])CCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000833773495 605220696 /nfs/dbraw/zinc/22/06/96/605220696.db2.gz PHUJBLVXXRZNAS-HXUWFJFHSA-N 1 0 375.513 1.979 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@@H](Cn3ccnn3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000826476981 607749187 /nfs/dbraw/zinc/74/91/87/607749187.db2.gz SROOWYHNAJPSGO-OCCSQVGLSA-N 1 0 399.484 1.037 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823210835 606057692 /nfs/dbraw/zinc/05/76/92/606057692.db2.gz GVUIGILWKPGYJY-OAHLLOKOSA-N 1 0 385.472 1.373 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821596613 606097933 /nfs/dbraw/zinc/09/79/33/606097933.db2.gz PRLVJTZFCSCXSN-KRWDZBQOSA-N 1 0 383.500 1.147 20 0 GDADRO CC(C)OCC[NH+]1CCC(NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820146002 606153178 /nfs/dbraw/zinc/15/31/78/606153178.db2.gz IGEDAIXPNZINAA-UHFFFAOYSA-N 1 0 386.500 1.805 20 0 GDADRO CN(C(=O)Nc1nn(C)cc1-c1nn[nH]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821572118 606161027 /nfs/dbraw/zinc/16/10/27/606161027.db2.gz RYNTZPRLWXTNMR-UHFFFAOYSA-N 1 0 395.471 1.729 20 0 GDADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000822723687 606165125 /nfs/dbraw/zinc/16/51/25/606165125.db2.gz KTUKEPNXDOJHTB-UHFFFAOYSA-N 1 0 383.378 1.582 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000822609633 606167370 /nfs/dbraw/zinc/16/73/70/606167370.db2.gz SNYMNYXCWBQAAN-CQSZACIVSA-N 1 0 387.492 1.720 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000822613118 606168863 /nfs/dbraw/zinc/16/88/63/606168863.db2.gz ARJZPQIFSFHYQG-OAHLLOKOSA-N 1 0 395.471 1.776 20 0 GDADRO C[C@@H]1C[C@H](N(C)CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000820656132 606188961 /nfs/dbraw/zinc/18/89/61/606188961.db2.gz DDSCCKKGKPQMOK-UKRRQHHQSA-N 1 0 378.502 1.055 20 0 GDADRO C[C@H](NC(=O)CNc1ccc(-c2nn[nH]n2)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000820327030 606192545 /nfs/dbraw/zinc/19/25/45/606192545.db2.gz DFIHBZVYMDRTKL-HNNXBMFYSA-N 1 0 399.499 1.428 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000821761939 606193894 /nfs/dbraw/zinc/19/38/94/606193894.db2.gz HALVPZIGIAYDCU-UHFFFAOYSA-N 1 0 375.433 1.108 20 0 GDADRO NC(=O)[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822851460 606203101 /nfs/dbraw/zinc/20/31/01/606203101.db2.gz WWFMOAVUEUHFDY-DOTOQJQBSA-N 1 0 397.870 1.915 20 0 GDADRO O=C(c1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1)N1CCOCC1 ZINC000823488340 606209243 /nfs/dbraw/zinc/20/92/43/606209243.db2.gz LXHYFAKDUZGIKR-UHFFFAOYSA-N 1 0 384.465 1.690 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000821625329 606230977 /nfs/dbraw/zinc/23/09/77/606230977.db2.gz LEFRCLCQPGDNIG-UHFFFAOYSA-N 1 0 380.456 1.599 20 0 GDADRO CC[C@@H](C)C[N@H+](CC)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000820869924 606239422 /nfs/dbraw/zinc/23/94/22/606239422.db2.gz KDLXIBQOLNCUHM-CQSZACIVSA-N 1 0 385.472 1.956 20 0 GDADRO COc1ccccc1[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH+]1CCCC1 ZINC000821883511 606245558 /nfs/dbraw/zinc/24/55/58/606245558.db2.gz WSOKNYCIDVKSFA-INIZCTEOSA-N 1 0 381.440 1.770 20 0 GDADRO COc1cc(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)ccc1OCC[NH+](C)C ZINC000821716663 606263606 /nfs/dbraw/zinc/26/36/06/606263606.db2.gz DTOKFACEMOCGDR-UHFFFAOYSA-N 1 0 385.428 1.074 20 0 GDADRO C[C@@H](Cc1ccsc1)[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820307582 606309134 /nfs/dbraw/zinc/30/91/34/606309134.db2.gz OGOWKPWCYHKBPD-LBPRGKRZSA-N 1 0 377.495 1.923 20 0 GDADRO CCN(CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[N@@H+]1CC ZINC000821213519 606309149 /nfs/dbraw/zinc/30/91/49/606309149.db2.gz DOADYKJRKLRGKQ-MRXNPFEDSA-N 1 0 392.529 1.447 20 0 GDADRO O=C1[C@@H](N2CC[NH+](C3CCCC3)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504667 606317165 /nfs/dbraw/zinc/31/71/65/606317165.db2.gz SRHBOJUULKVYIH-HNNXBMFYSA-N 1 0 387.513 1.594 20 0 GDADRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358631 606331160 /nfs/dbraw/zinc/33/11/60/606331160.db2.gz OGSQAQBAFYDNHV-YVEFUNNKSA-N 1 0 375.502 1.664 20 0 GDADRO C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821588291 606366255 /nfs/dbraw/zinc/36/62/55/606366255.db2.gz KYXLYTXOHKWPHN-KRWDZBQOSA-N 1 0 392.467 1.931 20 0 GDADRO C[N@H+](CCNC(=O)COc1ccccc1-c1nn[nH]n1)Cc1ccc(F)cc1 ZINC000821602552 606366570 /nfs/dbraw/zinc/36/65/70/606366570.db2.gz IBSSNDWOISEJJN-UHFFFAOYSA-N 1 0 384.415 1.633 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[N@@H+]1CCCC[C@H]1C ZINC000820704614 606394637 /nfs/dbraw/zinc/39/46/37/606394637.db2.gz PDNBPHGUEFNZNM-NEPJUHHUSA-N 1 0 389.435 1.323 20 0 GDADRO NC(=O)C1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000822864690 606417235 /nfs/dbraw/zinc/41/72/35/606417235.db2.gz IINZGUKXTXIGLY-UHFFFAOYSA-N 1 0 398.496 1.315 20 0 GDADRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821692509 606502536 /nfs/dbraw/zinc/50/25/36/606502536.db2.gz ZYILXZLQFYWXGA-GFCCVEGCSA-N 1 0 383.399 1.953 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000820759931 606583667 /nfs/dbraw/zinc/58/36/67/606583667.db2.gz OCGOQDXAPGSVAG-PBHICJAKSA-N 1 0 377.452 1.902 20 0 GDADRO C[C@@H](N(C)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1(C)CC1 ZINC000820307396 606591922 /nfs/dbraw/zinc/59/19/22/606591922.db2.gz MPTKJXMCQCLCGJ-CWTRNNRKSA-N 1 0 383.456 1.712 20 0 GDADRO C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820353318 606601354 /nfs/dbraw/zinc/60/13/54/606601354.db2.gz YFADPNYZRXQKAT-HUUCEWRRSA-N 1 0 385.472 1.291 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820349822 606601555 /nfs/dbraw/zinc/60/15/55/606601555.db2.gz IXRCAKZISZEVAP-GJZGRUSLSA-N 1 0 385.472 1.291 20 0 GDADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)o2)c1 ZINC000823738439 606619290 /nfs/dbraw/zinc/61/92/90/606619290.db2.gz VTBMXUHYSFHQMC-AWEZNQCLSA-N 1 0 396.455 1.071 20 0 GDADRO C[C@@H]1C[NH+](CCCCNC(=O)C=Cc2ccccc2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000820760777 606641423 /nfs/dbraw/zinc/64/14/23/606641423.db2.gz SYMOCQMVCMMPJR-SBKIPFDTSA-N 1 0 384.484 1.886 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820705337 606699005 /nfs/dbraw/zinc/69/90/05/606699005.db2.gz UCWVVLVLYOKECX-UPJWGTAASA-N 1 0 389.508 1.120 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820705333 606699636 /nfs/dbraw/zinc/69/96/36/606699636.db2.gz UCWVVLVLYOKECX-FRRDWIJNSA-N 1 0 389.508 1.120 20 0 GDADRO Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1 ZINC000822237522 606703069 /nfs/dbraw/zinc/70/30/69/606703069.db2.gz XSBFKSMRPQTORS-ZDUSSCGKSA-N 1 0 397.487 1.050 20 0 GDADRO CC1(C2CC[NH+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)OCCO1 ZINC000820613325 606720087 /nfs/dbraw/zinc/72/00/87/606720087.db2.gz ZUVAPYYYMOHBLK-UHFFFAOYSA-N 1 0 386.456 1.670 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000821576035 606728947 /nfs/dbraw/zinc/72/89/47/606728947.db2.gz ZFSBGKMXCUGZPH-UHFFFAOYSA-N 1 0 380.456 1.015 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cn(-c2ccccc2)nn1 ZINC000820419733 606741543 /nfs/dbraw/zinc/74/15/43/606741543.db2.gz JQSYOMVCWGNOHL-OLZOCXBDSA-N 1 0 391.443 1.036 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1 ZINC000821581332 606743282 /nfs/dbraw/zinc/74/32/82/606743282.db2.gz IPARBCLEARSASK-RYUDHWBXSA-N 1 0 391.863 1.448 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)c2ccccc2O1 ZINC000821584436 606747340 /nfs/dbraw/zinc/74/73/40/606747340.db2.gz DFAQEZPQUDDVEI-INIZCTEOSA-N 1 0 378.436 1.765 20 0 GDADRO CCC(CC)(CC(=O)OC)[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820882475 606750045 /nfs/dbraw/zinc/75/00/45/606750045.db2.gz RTCQMHZBQXHROO-UHFFFAOYSA-N 1 0 380.474 1.968 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc(N(C)C)c1 ZINC000820804334 606783524 /nfs/dbraw/zinc/78/35/24/606783524.db2.gz QUFLJJFXQFKJPL-AWEZNQCLSA-N 1 0 379.472 1.433 20 0 GDADRO CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)[C@@H](C)C1 ZINC000820751575 606810550 /nfs/dbraw/zinc/81/05/50/606810550.db2.gz GLIYOWSWOMFKAY-RDJZCZTQSA-N 1 0 398.515 1.427 20 0 GDADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000822974369 606821055 /nfs/dbraw/zinc/82/10/55/606821055.db2.gz JEXDGTDHVNHKEF-GOSISDBHSA-N 1 0 384.484 1.513 20 0 GDADRO COC(=O)C[C@H]1CSCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821660262 606822108 /nfs/dbraw/zinc/82/21/08/606822108.db2.gz LERXTOBNGLWNND-AWEZNQCLSA-N 1 0 377.470 1.616 20 0 GDADRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)[C@@H](C)C1 ZINC000820752924 606824591 /nfs/dbraw/zinc/82/45/91/606824591.db2.gz UGDLYPQEUMOEFP-LRDDRELGSA-N 1 0 395.471 1.093 20 0 GDADRO Cc1nsc(N2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822530494 606862665 /nfs/dbraw/zinc/86/26/65/606862665.db2.gz DNGTVCTUBPYOMB-HNNXBMFYSA-N 1 0 386.485 1.272 20 0 GDADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC[N@@H+]1C ZINC000820656467 606891618 /nfs/dbraw/zinc/89/16/18/606891618.db2.gz FKOSYSNTIJGTET-ONGXEEELSA-N 1 0 386.428 1.248 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819940030 606904820 /nfs/dbraw/zinc/90/48/20/606904820.db2.gz NPQIBQBBNJDFHH-JKSUJKDBSA-N 1 0 388.472 1.889 20 0 GDADRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C12CCC2 ZINC000821357334 606917266 /nfs/dbraw/zinc/91/72/66/606917266.db2.gz CBXRCPCSRGBETK-DLBZAZTESA-N 1 0 384.484 1.762 20 0 GDADRO CO[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1Cl ZINC000821676835 606922855 /nfs/dbraw/zinc/92/28/55/606922855.db2.gz INEXQRHPRDEWMN-ABAIWWIYSA-N 1 0 388.863 1.736 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000820902458 606986966 /nfs/dbraw/zinc/98/69/66/606986966.db2.gz LJBXSYKVGFRDLQ-INIZCTEOSA-N 1 0 398.515 1.573 20 0 GDADRO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1sccc1-c1nn[nH]n1 ZINC000822964196 607074946 /nfs/dbraw/zinc/07/49/46/607074946.db2.gz FVYHEPXMNNDRKB-SJKOYZFVSA-N 1 0 376.486 1.884 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625650 607104807 /nfs/dbraw/zinc/10/48/07/607104807.db2.gz SSCGMZWJUVZNDT-LRDDRELGSA-N 1 0 389.891 1.875 20 0 GDADRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(Cl)c(-c3nn[nH]n3)n2)C1 ZINC000821621913 607125888 /nfs/dbraw/zinc/12/58/88/607125888.db2.gz LCTQYTCMONSZIE-MRVPVSSYSA-N 1 0 378.853 1.005 20 0 GDADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000823257423 607153780 /nfs/dbraw/zinc/15/37/80/607153780.db2.gz MFSBQKYALSKCKE-ROUUACIJSA-N 1 0 399.499 1.434 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC[N@@H+]1C ZINC000820657452 607182566 /nfs/dbraw/zinc/18/25/66/607182566.db2.gz LHFZLXDQXKZRKQ-GXSJLCMTSA-N 1 0 377.836 1.058 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000820752732 607183844 /nfs/dbraw/zinc/18/38/44/607183844.db2.gz QHGBQGGPVJEDRK-OTYXRUKQSA-N 1 0 389.847 1.058 20 0 GDADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000823160553 607192215 /nfs/dbraw/zinc/19/22/15/607192215.db2.gz CUJZBTDQRLDZDN-RTBURBONSA-N 1 0 392.463 1.480 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1)[NH+](C)C ZINC000735689759 607204079 /nfs/dbraw/zinc/20/40/79/607204079.db2.gz BCNRIVHIVJJROH-KRWDZBQOSA-N 1 0 399.499 1.630 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000824261829 607775600 /nfs/dbraw/zinc/77/56/00/607775600.db2.gz RIJDNWSGRNSJSE-CYBMUJFWSA-N 1 0 389.435 1.181 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000825855847 607777208 /nfs/dbraw/zinc/77/72/08/607777208.db2.gz KQVCYKVEOVTUNO-HXUWFJFHSA-N 1 0 380.452 1.576 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826034162 607815454 /nfs/dbraw/zinc/81/54/54/607815454.db2.gz OHDJIOKJHFVIGT-DLBZAZTESA-N 1 0 390.513 1.199 20 0 GDADRO CC(C)[NH+]1CCC(N(C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824296506 607827673 /nfs/dbraw/zinc/82/76/73/607827673.db2.gz IESAUYPZIXEYFS-UHFFFAOYSA-N 1 0 392.529 1.445 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000826435178 607834745 /nfs/dbraw/zinc/83/47/45/607834745.db2.gz IEDWEJJZKWSCSO-WDEREUQCSA-N 1 0 397.266 1.767 20 0 GDADRO c1c2c(nc(N3CC[C@H](OCC[NH+]4CCCCC4)C3)c1-c1nn[nH]n1)CCC2 ZINC000826512128 607849112 /nfs/dbraw/zinc/84/91/12/607849112.db2.gz PKHQUYJCGXXMDH-INIZCTEOSA-N 1 0 383.500 1.832 20 0 GDADRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)[C@H]2C1 ZINC000826145607 607858159 /nfs/dbraw/zinc/85/81/59/607858159.db2.gz JSKDFEUVHKOJSK-IKGGRYGDSA-N 1 0 386.456 1.464 20 0 GDADRO O=C1[C@H]([N@@H+]2CC[C@H](C3CCOCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476271 607859502 /nfs/dbraw/zinc/85/95/02/607859502.db2.gz DVPYTZQLFKIAIC-FUHWJXTLSA-N 1 0 382.468 1.721 20 0 GDADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@@H]1CCC[C@@H]1O ZINC000825914561 607859868 /nfs/dbraw/zinc/85/98/68/607859868.db2.gz KASDEBQROJLQTB-AAEUAGOBSA-N 1 0 390.513 1.838 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ncc(-c4nn[nH]n4)cc3Cl)C2)CC1 ZINC000826023218 607911897 /nfs/dbraw/zinc/91/18/97/607911897.db2.gz YYWGDDBVECVSRZ-LBPRGKRZSA-N 1 0 375.864 1.719 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000826327554 607913825 /nfs/dbraw/zinc/91/38/25/607913825.db2.gz LSEGCQJHWBXVMG-VXGBXAGGSA-N 1 0 397.487 1.010 20 0 GDADRO CCOCCO[C@H]1CC[N@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825605189 607925196 /nfs/dbraw/zinc/92/51/96/607925196.db2.gz QZJRZHIAQTZGEI-AWEZNQCLSA-N 1 0 375.429 1.281 20 0 GDADRO CC(=O)N1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc21 ZINC000823975359 607938916 /nfs/dbraw/zinc/93/89/16/607938916.db2.gz XKPFNNVMLYMFRV-BBRMVZONSA-N 1 0 393.455 1.192 20 0 GDADRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cn[nH]c1 ZINC000824488024 607940668 /nfs/dbraw/zinc/94/06/68/607940668.db2.gz DEQDYDZFMVERDF-CQSZACIVSA-N 1 0 395.471 1.568 20 0 GDADRO c1cc2nc(N3CCC(C[NH+]4CCOCC4)CC3)ccc2cc1-c1nn[nH]n1 ZINC000826518358 607989428 /nfs/dbraw/zinc/98/94/28/607989428.db2.gz KOALDONKHHAHJV-UHFFFAOYSA-N 1 0 379.468 1.964 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)c[nH]2)c1-c1nn[nH]n1 ZINC000826077466 608019536 /nfs/dbraw/zinc/01/95/36/608019536.db2.gz JBXGZXGHOHDSHN-UHFFFAOYSA-N 1 0 394.237 1.085 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(C)ccc3[nH]2)c1-c1nn[nH]n1 ZINC000826077775 608019740 /nfs/dbraw/zinc/01/97/40/608019740.db2.gz VNYPAIVXPSSNDO-UHFFFAOYSA-N 1 0 379.428 1.784 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CCc3ccccc3C2)c1-c1nn[nH]n1 ZINC000826077801 608019891 /nfs/dbraw/zinc/01/98/91/608019891.db2.gz WKCACNIOZLYLLG-CYBMUJFWSA-N 1 0 394.483 1.876 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826077855 608019925 /nfs/dbraw/zinc/01/99/25/608019925.db2.gz XSYQWOCOCUUDHW-KBPBESRZSA-N 1 0 380.456 1.559 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1-c1nn[nH]n1 ZINC000826077807 608020027 /nfs/dbraw/zinc/02/00/27/608020027.db2.gz WKRIVZWSPNSLPJ-XOBRGWDASA-N 1 0 392.467 1.584 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(NC(=O)OC)c2)c1-c1nn[nH]n1 ZINC000826083989 608020894 /nfs/dbraw/zinc/02/08/94/608020894.db2.gz SXNMALIKWDIAJX-UHFFFAOYSA-N 1 0 399.415 1.172 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OC(C)C)c1-c1nn[nH]n1 ZINC000826083821 608020926 /nfs/dbraw/zinc/02/09/26/608020926.db2.gz RRXNDYLAMDPQRU-UHFFFAOYSA-N 1 0 384.444 1.781 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2c[nH]cc2-c2ccccc2)c1-c1nn[nH]n1 ZINC000826077423 608021168 /nfs/dbraw/zinc/02/11/68/608021168.db2.gz HOSQKISFOJIRBF-UHFFFAOYSA-N 1 0 391.439 1.989 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(F)ccc3o2)c1-c1nn[nH]n1 ZINC000826082827 608021994 /nfs/dbraw/zinc/02/19/94/608021994.db2.gz BMVSMGVUYIVYMN-UHFFFAOYSA-N 1 0 384.375 1.879 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)cc(Cl)c2)c1-c1nn[nH]n1 ZINC000826077608 608022177 /nfs/dbraw/zinc/02/21/77/608022177.db2.gz OHNASGFSGWIQRF-UHFFFAOYSA-N 1 0 378.799 1.787 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000824300453 608022508 /nfs/dbraw/zinc/02/25/08/608022508.db2.gz HELQNTDUZZUDRW-UHFFFAOYSA-N 1 0 398.515 1.889 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccc(OC)cc2)c1-c1nn[nH]n1 ZINC000826073600 608022793 /nfs/dbraw/zinc/02/27/93/608022793.db2.gz YMRSAOYKKQJFDM-LBPRGKRZSA-N 1 0 398.471 1.568 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCC(=O)Nc1ccc(F)cc1 ZINC000825934735 608037144 /nfs/dbraw/zinc/03/71/44/608037144.db2.gz RAUBOSGMEGKYLU-UHFFFAOYSA-N 1 0 387.423 1.204 20 0 GDADRO O=C(C[NH+]1CCC2(CC2)CC1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000826410732 608042014 /nfs/dbraw/zinc/04/20/14/608042014.db2.gz WQYLYJUVRRJGJQ-UHFFFAOYSA-N 1 0 378.440 1.867 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC000826029564 608063679 /nfs/dbraw/zinc/06/36/79/608063679.db2.gz TYPGLZAILIEMGQ-PBHICJAKSA-N 1 0 385.472 1.291 20 0 GDADRO CS[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826227595 608088267 /nfs/dbraw/zinc/08/82/67/608088267.db2.gz UFLAUICCFIMNOP-KBPBESRZSA-N 1 0 395.920 1.436 20 0 GDADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1[NH+](C)C ZINC000826227362 608089002 /nfs/dbraw/zinc/08/90/02/608089002.db2.gz PQTAIDLSPAKSAO-NILFDRSVSA-N 1 0 375.502 1.171 20 0 GDADRO NC(=O)[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389462 608099884 /nfs/dbraw/zinc/09/98/84/608099884.db2.gz YWEPYQBWJMIGMC-MAUKXSAKSA-N 1 0 395.442 1.791 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000826278319 608105991 /nfs/dbraw/zinc/10/59/91/608105991.db2.gz XLGIMSKTBHRZOW-UHFFFAOYSA-N 1 0 396.455 1.832 20 0 GDADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000824757449 608108918 /nfs/dbraw/zinc/10/89/18/608108918.db2.gz XEZGPPIQANLYGO-CYBMUJFWSA-N 1 0 397.439 1.608 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(Cl)nc2C)c1-c1nn[nH]n1 ZINC000826077903 608113861 /nfs/dbraw/zinc/11/38/61/608113861.db2.gz ZUWSFRZENJFDKK-UHFFFAOYSA-N 1 0 389.851 1.280 20 0 GDADRO C[C@H]1CN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824970370 608121255 /nfs/dbraw/zinc/12/12/55/608121255.db2.gz WRXGYQVVBZAOIJ-LPHOPBHVSA-N 1 0 397.527 1.284 20 0 GDADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824400853 608146109 /nfs/dbraw/zinc/14/61/09/608146109.db2.gz LSGCZUYYVGYDRP-LBPRGKRZSA-N 1 0 389.435 1.325 20 0 GDADRO CCC(CC)(C[NH2+]Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)C(=O)OC ZINC000825090306 608167722 /nfs/dbraw/zinc/16/77/22/608167722.db2.gz WFRSBBBKKKIKIW-UHFFFAOYSA-N 1 0 375.429 1.722 20 0 GDADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000824739683 608209138 /nfs/dbraw/zinc/20/91/38/608209138.db2.gz ZEVCEJVRSGVCLP-CYBMUJFWSA-N 1 0 397.439 1.608 20 0 GDADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC000825866360 608220448 /nfs/dbraw/zinc/22/04/48/608220448.db2.gz XPBUMKZLOVCCPH-UHFFFAOYSA-N 1 0 398.446 1.403 20 0 GDADRO COC[C@@H](O)CC[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826152109 608242916 /nfs/dbraw/zinc/24/29/16/608242916.db2.gz RCTKOHFAIMFXMF-SFHVURJKSA-N 1 0 383.452 1.933 20 0 GDADRO NC(=O)c1cc(OC2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)ccn1 ZINC000826392496 608264889 /nfs/dbraw/zinc/26/48/89/608264889.db2.gz AEAXVNRTYIEDLZ-UHFFFAOYSA-N 1 0 397.414 1.543 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC000826157910 608313629 /nfs/dbraw/zinc/31/36/29/608313629.db2.gz RAUQFFKSWAMXGB-UHFFFAOYSA-N 1 0 375.477 1.405 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000826167531 608360578 /nfs/dbraw/zinc/36/05/78/608360578.db2.gz IEADAFVCDWZFBV-SFHVURJKSA-N 1 0 383.452 1.885 20 0 GDADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1-c1nn[nH]n1 ZINC000826202088 608363150 /nfs/dbraw/zinc/36/31/50/608363150.db2.gz NRMNTETZKYGVOM-NSHDSACASA-N 1 0 388.453 1.374 20 0 GDADRO C[N@@H+]1CCCC12CCN(Cc1nnc(-c3ccc(-c4nn[nH]n4)cc3)o1)CC2 ZINC000826034658 608382011 /nfs/dbraw/zinc/38/20/11/608382011.db2.gz UUATXJUDPPDDEZ-UHFFFAOYSA-N 1 0 380.456 1.977 20 0 GDADRO COc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826187688 608428467 /nfs/dbraw/zinc/42/84/67/608428467.db2.gz BMUJOAYZSJEVQO-LBPRGKRZSA-N 1 0 384.415 1.981 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826187781 608431258 /nfs/dbraw/zinc/43/12/58/608431258.db2.gz FFNSZIOCHFFHMP-CYBMUJFWSA-N 1 0 387.465 2.000 20 0 GDADRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)cc1 ZINC000826189309 608431927 /nfs/dbraw/zinc/43/19/27/608431927.db2.gz SPACSWPRFYVCTC-CQSZACIVSA-N 1 0 388.453 1.589 20 0 GDADRO O=C(c1ccoc1)N1CCC([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826474928 608450510 /nfs/dbraw/zinc/45/05/10/608450510.db2.gz LFYFPGHGBKUYMR-UHFFFAOYSA-N 1 0 382.424 1.733 20 0 GDADRO CC(C)([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1CCCC1 ZINC000824168315 608458060 /nfs/dbraw/zinc/45/80/60/608458060.db2.gz ZTRMTDDACMGBLN-UHFFFAOYSA-N 1 0 399.499 1.158 20 0 GDADRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826134139 608461428 /nfs/dbraw/zinc/46/14/28/608461428.db2.gz SQSXDMQRLGOTHX-QWHCGFSZSA-N 1 0 386.456 1.317 20 0 GDADRO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825499855 608464215 /nfs/dbraw/zinc/46/42/15/608464215.db2.gz VUEFOGWZSRFTDW-ZDUSSCGKSA-N 1 0 386.456 1.319 20 0 GDADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826439398 608473019 /nfs/dbraw/zinc/47/30/19/608473019.db2.gz SMXMGGSGYZYQOB-UHFFFAOYSA-N 1 0 395.467 1.642 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000825923333 608495448 /nfs/dbraw/zinc/49/54/48/608495448.db2.gz HIAWKKFLSZUVRM-UHFFFAOYSA-N 1 0 393.879 1.831 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826223961 608529360 /nfs/dbraw/zinc/52/93/60/608529360.db2.gz IXSJCASTIBEOPV-KRWDZBQOSA-N 1 0 399.476 1.583 20 0 GDADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826481671 608531701 /nfs/dbraw/zinc/53/17/01/608531701.db2.gz FCKOMRCGJKKCQL-UHFFFAOYSA-N 1 0 381.440 1.310 20 0 GDADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000826028824 608563851 /nfs/dbraw/zinc/56/38/51/608563851.db2.gz IYDXEURKXRUAKG-UHFFFAOYSA-N 1 0 380.449 1.255 20 0 GDADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(S(N)(=O)=O)cc1 ZINC000824598579 608576114 /nfs/dbraw/zinc/57/61/14/608576114.db2.gz GVKRABLPJYERAR-GFCCVEGCSA-N 1 0 388.453 1.244 20 0 GDADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc(S(N)(=O)=O)c1 ZINC000824599997 608576257 /nfs/dbraw/zinc/57/62/57/608576257.db2.gz VOXORVLNPWIGMI-GFCCVEGCSA-N 1 0 388.453 1.244 20 0 GDADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(S(N)(=O)=O)cc1 ZINC000824598580 608576286 /nfs/dbraw/zinc/57/62/86/608576286.db2.gz GVKRABLPJYERAR-LBPRGKRZSA-N 1 0 388.453 1.244 20 0 GDADRO O=C(CC1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1)N1CCCC1 ZINC000826405097 608606095 /nfs/dbraw/zinc/60/60/95/608606095.db2.gz VVDVTSSGBVGGSJ-UHFFFAOYSA-N 1 0 394.483 1.739 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826033482 608684205 /nfs/dbraw/zinc/68/42/05/608684205.db2.gz FFNRSLGEKFWFCK-KRWDZBQOSA-N 1 0 395.515 1.116 20 0 GDADRO C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824893844 608846882 /nfs/dbraw/zinc/84/68/82/608846882.db2.gz VMNWHCXRYUTYMF-WMLDXEAASA-N 1 0 387.488 1.507 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824613235 609133664 /nfs/dbraw/zinc/13/36/64/609133664.db2.gz RZPSLNMHMWUVBY-LLVKDONJSA-N 1 0 397.414 1.072 20 0 GDADRO COc1ccccc1CCC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000826219654 609139677 /nfs/dbraw/zinc/13/96/77/609139677.db2.gz LPDYCYAQRUYCEL-OAHLLOKOSA-N 1 0 394.483 1.809 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258930 609152074 /nfs/dbraw/zinc/15/20/74/609152074.db2.gz BLERAMIMAWVDKJ-OAHLLOKOSA-N 1 0 394.483 1.821 20 0 GDADRO Cc1nnc2n1C[C@H]([NH2+]C1CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826337615 609185801 /nfs/dbraw/zinc/18/58/01/609185801.db2.gz USXDLCQTZNJQEM-GOSISDBHSA-N 1 0 393.499 1.336 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1 ZINC000825849334 609187873 /nfs/dbraw/zinc/18/78/73/609187873.db2.gz KEQNBOLERFOHTJ-IRXDYDNUSA-N 1 0 384.415 1.458 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000825848250 609207477 /nfs/dbraw/zinc/20/74/77/609207477.db2.gz AUZVHVNMDGTPFT-SJORKVTESA-N 1 0 384.415 1.458 20 0 GDADRO Cc1ccc([C@@H](CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[NH+]2CCCC2)o1 ZINC000826283870 609219941 /nfs/dbraw/zinc/21/99/41/609219941.db2.gz DAYJAWSIVWROGZ-AEFFLSMTSA-N 1 0 396.451 1.755 20 0 GDADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825282683 609229596 /nfs/dbraw/zinc/22/95/96/609229596.db2.gz WEWVALAJNQVJPV-SFHVURJKSA-N 1 0 386.500 1.871 20 0 GDADRO C[N@@H+]1CC[C@H](NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826029740 609256150 /nfs/dbraw/zinc/25/61/50/609256150.db2.gz VSANIFPMFKJIFR-BZSNNMDCSA-N 1 0 378.436 1.462 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825326390 609264991 /nfs/dbraw/zinc/26/49/91/609264991.db2.gz CUAHXYRJPKLLCB-DLBZAZTESA-N 1 0 397.483 1.353 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825326393 609265279 /nfs/dbraw/zinc/26/52/79/609265279.db2.gz CUAHXYRJPKLLCB-SJORKVTESA-N 1 0 397.483 1.353 20 0 GDADRO O=C(CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407419 609284122 /nfs/dbraw/zinc/28/41/22/609284122.db2.gz MKILRJGSKQXZGW-FQEVSTJZSA-N 1 0 396.426 1.928 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C[C@@H](C)O1 ZINC000824985043 609286826 /nfs/dbraw/zinc/28/68/26/609286826.db2.gz QNVINRBNBHQZDM-VXGBXAGGSA-N 1 0 378.864 1.749 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)nc2)CC1 ZINC000826044408 609288351 /nfs/dbraw/zinc/28/83/51/609288351.db2.gz FMLUAJSIAGRLJX-UHFFFAOYSA-N 1 0 398.858 1.919 20 0 GDADRO C[N@H+](CCO)C1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000825941484 609315947 /nfs/dbraw/zinc/31/59/47/609315947.db2.gz JTYOXNKSTHEFBC-UHFFFAOYSA-N 1 0 389.410 1.586 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccccc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824650366 609318428 /nfs/dbraw/zinc/31/84/28/609318428.db2.gz QZWQVTWYKFGPEM-ZIAGYGMSSA-N 1 0 390.513 1.798 20 0 GDADRO COC1CCN(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826147322 609341462 /nfs/dbraw/zinc/34/14/62/609341462.db2.gz STNZNEROBORLFN-UHFFFAOYSA-N 1 0 396.499 1.468 20 0 GDADRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[C@H]1CN(C)CCO1 ZINC000824627138 609342272 /nfs/dbraw/zinc/34/22/72/609342272.db2.gz VCYCOLHKBULYMJ-CXAGYDPISA-N 1 0 382.472 1.076 20 0 GDADRO C[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H]1CCCC[C@H]1O ZINC000825892107 609375578 /nfs/dbraw/zinc/37/55/78/609375578.db2.gz GEKQLAQXEJAHAA-IAQYHMDHSA-N 1 0 378.864 1.942 20 0 GDADRO O=C1[C@@H]([NH2+][C@H](CO)c2ccccc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476333 609423578 /nfs/dbraw/zinc/42/35/78/609423578.db2.gz FUYJYTPMVDBQPO-ZWKOTPCHSA-N 1 0 378.436 1.685 20 0 GDADRO OC[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000826506902 609429007 /nfs/dbraw/zinc/42/90/07/609429007.db2.gz FFGXUQLJVGEIHF-RDJZCZTQSA-N 1 0 389.843 1.583 20 0 GDADRO c1ccn2c(c1)nc(N1CCC(CC[NH+]3CCOCC3)CC1)c2-c1nn[nH]n1 ZINC000826524339 609467053 /nfs/dbraw/zinc/46/70/53/609467053.db2.gz RJLVYNJSJBZZHR-UHFFFAOYSA-N 1 0 382.472 1.453 20 0 GDADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 ZINC000826188926 609468577 /nfs/dbraw/zinc/46/85/77/609468577.db2.gz JWFIAVKMULVLIY-QGZVFWFLSA-N 1 0 381.440 1.770 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000824045654 609496651 /nfs/dbraw/zinc/49/66/51/609496651.db2.gz OCKCUYAWSBEGOV-AWEZNQCLSA-N 1 0 378.440 1.411 20 0 GDADRO CCC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825308285 609514582 /nfs/dbraw/zinc/51/45/82/609514582.db2.gz ZPWLEZVNEJOHTK-UHFFFAOYSA-N 1 0 388.472 1.537 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCc1n[nH]cc1Br ZINC000530816745 649981536 /nfs/dbraw/zinc/98/15/36/649981536.db2.gz MOELPQSOMVDOSM-UHFFFAOYSA-N 1 0 393.289 1.396 20 0 GDADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000825326864 609536557 /nfs/dbraw/zinc/53/65/57/609536557.db2.gz GQOBEJWOQQPAKW-UHFFFAOYSA-N 1 0 384.893 1.673 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000825119587 609555386 /nfs/dbraw/zinc/55/53/86/609555386.db2.gz FFLNZJQNJYFOEZ-GFCCVEGCSA-N 1 0 384.893 1.673 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824975674 609555888 /nfs/dbraw/zinc/55/58/88/609555888.db2.gz KZGIRXAWSMJAMO-ZANVPECISA-N 1 0 382.877 1.281 20 0 GDADRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257276 609587122 /nfs/dbraw/zinc/58/71/22/609587122.db2.gz VSAWFYPMGLKRLD-CZUORRHYSA-N 1 0 394.483 1.916 20 0 GDADRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257277 609587422 /nfs/dbraw/zinc/58/74/22/609587422.db2.gz VSAWFYPMGLKRLD-XJKSGUPXSA-N 1 0 394.483 1.916 20 0 GDADRO CC[NH+]1CCN(CC(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000531048987 649986223 /nfs/dbraw/zinc/98/62/23/649986223.db2.gz XKEACXBJIYDCBZ-UHFFFAOYSA-N 1 0 384.274 1.432 20 0 GDADRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532540972 650027024 /nfs/dbraw/zinc/02/70/24/650027024.db2.gz WVQCWROGIDSRGV-WDEREUQCSA-N 1 0 379.258 1.543 20 0 GDADRO CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000533098862 650042152 /nfs/dbraw/zinc/04/21/52/650042152.db2.gz UPCZJUAJCFADRE-KBPBESRZSA-N 1 0 380.432 1.622 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000533098864 650042246 /nfs/dbraw/zinc/04/22/46/650042246.db2.gz UPCZJUAJCFADRE-UONOGXRCSA-N 1 0 380.432 1.622 20 0 GDADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000533497829 650055314 /nfs/dbraw/zinc/05/53/14/650055314.db2.gz BNTDIIJQZRALTL-CQSZACIVSA-N 1 0 389.543 1.123 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534972455 650237020 /nfs/dbraw/zinc/23/70/20/650237020.db2.gz RNWRBYMSLQKQDB-UHFFFAOYSA-N 1 0 387.458 1.609 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000535258237 650244835 /nfs/dbraw/zinc/24/48/35/650244835.db2.gz NONAKDPJCFEAMV-CQSZACIVSA-N 1 0 382.507 1.986 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cnc2c1Cl ZINC000535753178 650255624 /nfs/dbraw/zinc/25/56/24/650255624.db2.gz TVXXTWLWDQINFY-OCCSQVGLSA-N 1 0 383.905 1.796 20 0 GDADRO C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)[C@@H](C)C[N@@H+]1C ZINC000535786872 650256257 /nfs/dbraw/zinc/25/62/57/650256257.db2.gz YSVXNNLIPPKVNO-MNOVXSKESA-N 1 0 379.935 1.573 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000536831795 650281561 /nfs/dbraw/zinc/28/15/61/650281561.db2.gz IASBWOKJQRNHSC-ZDUSSCGKSA-N 1 0 391.559 1.305 20 0 GDADRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000537971467 650302999 /nfs/dbraw/zinc/30/29/99/650302999.db2.gz QKWAKUHYNSKIRX-OAHLLOKOSA-N 1 0 388.555 1.947 20 0 GDADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000538427362 650310861 /nfs/dbraw/zinc/31/08/61/650310861.db2.gz OSWWZITWSLUBKE-UHFFFAOYSA-N 1 0 392.319 1.510 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc(S(N)(=O)=O)c1 ZINC000539202251 650330409 /nfs/dbraw/zinc/33/04/09/650330409.db2.gz JXNPMVDCWHGDIG-ZDUSSCGKSA-N 1 0 382.507 1.729 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000540166180 650350722 /nfs/dbraw/zinc/35/07/22/650350722.db2.gz MTYRAMXXQYFAGT-ZDUSSCGKSA-N 1 0 389.543 1.523 20 0 GDADRO CCOC(=O)C1CCC([NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000540614263 650365511 /nfs/dbraw/zinc/36/55/11/650365511.db2.gz KFGXQXLTZWAQMK-UYSNPLJNSA-N 1 0 376.519 1.186 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1cc(I)c(F)cc1F ZINC000541528106 650385766 /nfs/dbraw/zinc/38/57/66/650385766.db2.gz OCYKAIMLQSSHSN-UHFFFAOYSA-N 1 0 398.191 1.877 20 0 GDADRO CCOC(=O)c1sc([C@@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)nc1C ZINC000543548287 650423857 /nfs/dbraw/zinc/42/38/57/650423857.db2.gz HOLVPPXNMVQOLL-CHWSQXEVSA-N 1 0 389.543 1.950 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000543688682 650428166 /nfs/dbraw/zinc/42/81/66/650428166.db2.gz GXNNFLMJXINDQI-ZDUSSCGKSA-N 1 0 387.468 1.869 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000544606166 650441793 /nfs/dbraw/zinc/44/17/93/650441793.db2.gz QRXQQCHCLZBJIX-CYBMUJFWSA-N 1 0 389.543 1.046 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000545862702 650462672 /nfs/dbraw/zinc/46/26/72/650462672.db2.gz UEVDRSRIMRYZSC-AEFFLSMTSA-N 1 0 396.329 1.769 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(I)ccc2Cl)C1 ZINC000545861823 650462887 /nfs/dbraw/zinc/46/28/87/650462887.db2.gz FTYZABMMUKLJRT-CYBMUJFWSA-N 1 0 394.640 1.741 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000547426201 650497583 /nfs/dbraw/zinc/49/75/83/650497583.db2.gz DZDUJDWILCFOHY-UHFFFAOYSA-N 1 0 381.274 1.679 20 0 GDADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CCSCC1 ZINC000547978867 650526625 /nfs/dbraw/zinc/52/66/25/650526625.db2.gz QGUKPJWMZODXQD-CQSZACIVSA-N 1 0 377.576 1.149 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000549297880 650574252 /nfs/dbraw/zinc/57/42/52/650574252.db2.gz GONBDHBLNHUKLF-UHFFFAOYSA-N 1 0 392.681 1.735 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3nc(CC(F)(F)F)cs3)C2)C1 ZINC000551693164 650611353 /nfs/dbraw/zinc/61/13/53/650611353.db2.gz MEXROCSJGRVSDT-CQSZACIVSA-N 1 0 376.404 1.741 20 0 GDADRO O[C@H](CN1CCOCC1)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000551708432 650611620 /nfs/dbraw/zinc/61/16/20/650611620.db2.gz RPSZUHPYSJJRDW-KRWDZBQOSA-N 1 0 384.318 1.264 20 0 GDADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000552120808 650620599 /nfs/dbraw/zinc/62/05/99/650620599.db2.gz FQXMWSSHYPFWNO-INIZCTEOSA-N 1 0 387.274 1.459 20 0 GDADRO COC[C@](C)([NH3+])CNc1ncnc(CC(C)C)c1I ZINC000553098527 650638302 /nfs/dbraw/zinc/63/83/02/650638302.db2.gz LEPOMLWXOHFZQJ-CYBMUJFWSA-N 1 0 378.258 2.055 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@@H]([NH+]4CCCC4)[C@H]3C)cnc2c1Cl ZINC000553560820 650651067 /nfs/dbraw/zinc/65/10/67/650651067.db2.gz WMOOIGXLODIUER-TZMCWYRMSA-N 1 0 383.905 1.938 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c(OC)c1 ZINC000553581553 650652268 /nfs/dbraw/zinc/65/22/68/650652268.db2.gz ZARDVGJMGVVBFJ-LBPRGKRZSA-N 1 0 393.531 1.075 20 0 GDADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000553763964 650656136 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20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000442168004 646263519 /nfs/dbraw/zinc/26/35/19/646263519.db2.gz UWKZLMTTZWPSLP-GHMZBOCLSA-N 1 0 384.274 1.995 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000917657041 660218950 /nfs/dbraw/zinc/21/89/50/660218950.db2.gz PKQKDKOIXYFAKH-UHFFFAOYSA-N 1 0 377.942 1.028 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000917971606 660226376 /nfs/dbraw/zinc/22/63/76/660226376.db2.gz IOZQWFARHALSPF-CYBMUJFWSA-N 1 0 397.321 1.163 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)CC1 ZINC000917904125 660224359 /nfs/dbraw/zinc/22/43/59/660224359.db2.gz SBXFYNSKCLHPGW-UHFFFAOYSA-N 1 0 384.354 1.923 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CCO1 ZINC000903487644 659317171 /nfs/dbraw/zinc/31/71/71/659317171.db2.gz FCMJVTQCQJBGJS-NOZJJQNGSA-N 1 0 388.287 1.667 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C1 ZINC000918395085 660234996 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COC(=O)c1nscc1S(=O)(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000443098308 647180967 /nfs/dbraw/zinc/18/09/67/647180967.db2.gz OCSJOAZAKIKXPU-STQMWFEESA-N 1 0 389.543 1.966 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1csc(-c2ccccc2)n1 ZINC000443140704 647184137 /nfs/dbraw/zinc/18/41/37/647184137.db2.gz KUJNHHUAQBZZGL-OAHLLOKOSA-N 1 0 381.523 1.935 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000920282629 660269092 /nfs/dbraw/zinc/26/90/92/660269092.db2.gz SIQIWDPQHNULPG-ZNEHSRBWSA-N 1 0 390.937 1.140 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3sccc3OC)C2)[C@H]1C(C)C ZINC000920301574 660269219 /nfs/dbraw/zinc/26/92/19/660269219.db2.gz FFUDXPQZJILSPV-GKLJAUDBSA-N 1 0 388.555 1.905 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3c(Cl)cnn3C)C2)[C@H]1C(C)C ZINC000920304573 660270023 /nfs/dbraw/zinc/27/00/23/660270023.db2.gz ZZMHRLMLADLUIM-KQTLUZQSSA-N 1 0 390.937 1.222 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000445550455 647269317 /nfs/dbraw/zinc/26/93/17/647269317.db2.gz CEZYYMUXYKWDGM-RYUDHWBXSA-N 1 0 393.506 1.526 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000445557179 647270205 /nfs/dbraw/zinc/27/02/05/647270205.db2.gz KCYMGPKEBZEXPP-HIFRSBDPSA-N 1 0 389.543 1.777 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000445555467 647270361 /nfs/dbraw/zinc/27/03/61/647270361.db2.gz BMSMHJXWBJCGCX-ZIAGYGMSSA-N 1 0 387.527 1.019 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(I)c2)C1 ZINC000445560699 647270947 /nfs/dbraw/zinc/27/09/47/647270947.db2.gz ZFWVIKDLOHPCRI-WDEREUQCSA-N 1 0 380.251 1.839 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000446314709 647284312 /nfs/dbraw/zinc/28/43/12/647284312.db2.gz FLFNCUNQNKHHTO-CYBMUJFWSA-N 1 0 396.285 1.448 20 0 GDADRO C[NH+](C)C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 ZINC000920446987 660271539 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CNC(=O)c1cc(Cl)cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1OC ZINC000508916021 648262813 /nfs/dbraw/zinc/26/28/13/648262813.db2.gz WWMKIWZOHDZCPU-UHFFFAOYSA-N 1 0 391.921 1.574 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000508931779 648263152 /nfs/dbraw/zinc/26/31/52/648263152.db2.gz HAKHWOLIZBSKJS-UHFFFAOYSA-N 1 0 391.921 1.718 20 0 GDADRO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CN1C1CC1 ZINC000509402096 648285451 /nfs/dbraw/zinc/28/54/51/648285451.db2.gz JZFBDKKFURUMJT-AAEUAGOBSA-N 1 0 375.897 1.972 20 0 GDADRO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000510299750 648323116 /nfs/dbraw/zinc/32/31/16/648323116.db2.gz RSNDFGXFCYJFGT-YESZJQIVSA-N 1 0 375.579 1.823 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000510688831 648336125 /nfs/dbraw/zinc/33/61/25/648336125.db2.gz ABJBJCAFXXBUIH-LBPRGKRZSA-N 1 0 375.878 1.430 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000510752250 648340719 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CC[N@@H+](CC(=O)Nc1c(F)cccc1F)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513960782 648447942 /nfs/dbraw/zinc/44/79/42/648447942.db2.gz OOCCSDAUNRRBEE-LBPRGKRZSA-N 1 0 375.441 1.507 20 0 GDADRO Cc1ccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(Br)c1 ZINC000514614917 648455533 /nfs/dbraw/zinc/45/55/33/648455533.db2.gz LIDQYMFUALPCSM-SGMGOOAPSA-N 1 0 395.301 1.328 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1I ZINC000514672911 648458838 /nfs/dbraw/zinc/45/88/38/648458838.db2.gz YUUCQEXKHUHUCA-GHMZBOCLSA-N 1 0 394.278 1.957 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000514694463 648461012 /nfs/dbraw/zinc/46/10/12/648461012.db2.gz RFKVQQNOSQZNMR-GFCCVEGCSA-N 1 0 395.522 1.596 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000515208316 648485062 /nfs/dbraw/zinc/48/50/62/648485062.db2.gz ISPZHSPRWGFECU-UHFFFAOYSA-N 1 0 396.376 1.817 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000515214435 648485694 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GDADRO O=S(=O)(c1ccc(C[NH2+]C[C@H](O)CC2CCCC2)s1)N1CCOCC1 ZINC000517024972 648551489 /nfs/dbraw/zinc/55/14/89/648551489.db2.gz MKDWKWGIBAKZTO-OAHLLOKOSA-N 1 0 388.555 1.800 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1C(F)(F)F ZINC000517038234 648552756 /nfs/dbraw/zinc/55/27/56/648552756.db2.gz PIYXJGJDDYTDFW-VHSXEESVSA-N 1 0 380.388 1.992 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000517900801 648580976 /nfs/dbraw/zinc/58/09/76/648580976.db2.gz LPYLHPZCHOFENA-HNNXBMFYSA-N 1 0 395.301 1.631 20 0 GDADRO COC[C@@]1(CNC(=O)Cc2cc3c(cc2Br)OCCO3)CCC[NH2+]1 ZINC000517922526 648581383 /nfs/dbraw/zinc/58/13/83/648581383.db2.gz VMGSENDYUDWUNE-KRWDZBQOSA-N 1 0 399.285 1.648 20 0 GDADRO Cc1ccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c(=O)n1C ZINC000518171354 648589064 /nfs/dbraw/zinc/58/90/64/648589064.db2.gz WYYQOJMTYDVYNA-OAHLLOKOSA-N 1 0 381.270 1.986 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000518374556 648595673 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GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](CCSC)c1nnc2ccccn21 ZINC000571248522 651070028 /nfs/dbraw/zinc/07/00/28/651070028.db2.gz MHQNZWKDJLGFKB-CQSZACIVSA-N 1 0 385.559 1.785 20 0 GDADRO O=C(CNC(=O)c1ncsc1Br)NCC[NH+]1CCCCCC1 ZINC000571290002 651071571 /nfs/dbraw/zinc/07/15/71/651071571.db2.gz FOMDXUVDPDLPEH-UHFFFAOYSA-N 1 0 389.319 1.628 20 0 GDADRO C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000571320315 651072986 /nfs/dbraw/zinc/07/29/86/651072986.db2.gz FRUNVVKVTJSMKW-SMDDNHRTSA-N 1 0 384.274 1.201 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000571326727 651073266 /nfs/dbraw/zinc/07/32/66/651073266.db2.gz PKYILFBZPVUYCY-BNOWGMLFSA-N 1 0 389.518 1.031 20 0 GDADRO CC[NH2+]CCCNC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000571321561 651073277 /nfs/dbraw/zinc/07/32/77/651073277.db2.gz CDDPREPECGGEQR-UHFFFAOYSA-N 1 0 384.274 1.680 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)COC1CC[NH2+]CC1 ZINC000571399320 651075729 /nfs/dbraw/zinc/07/57/29/651075729.db2.gz 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C[C@]1(F)C[NH2+]CCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000573967281 651504940 /nfs/dbraw/zinc/50/49/40/651504940.db2.gz OREINSCORUJYKS-AWEZNQCLSA-N 1 0 379.295 1.856 20 0 GDADRO CCOC(=O)c1sc2ncc(S(=O)(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2c1C ZINC000574026163 651510369 /nfs/dbraw/zinc/51/03/69/651510369.db2.gz ZLLNPOAGTKQTQS-GWCFXTLKSA-N 1 0 383.495 1.892 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000574040601 651511245 /nfs/dbraw/zinc/51/12/45/651511245.db2.gz PVISCQJNQQHWMW-JTQLQIEISA-N 1 0 399.822 1.457 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC000574060287 651513806 /nfs/dbraw/zinc/51/38/06/651513806.db2.gz DGCLDSUMLKKSMC-IDTSFGKNSA-N 1 0 380.286 1.630 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(Cc3nc(-c4cccc(Br)c4)c[nH]3)CCN2C1=O ZINC000574171628 651520928 /nfs/dbraw/zinc/52/09/28/651520928.db2.gz YNDHAZURWPFUBV-KBPBESRZSA-N 1 0 390.285 1.583 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)NCc3cc(Br)cs3)C[C@H]2[NH3+])cn1 ZINC000574270652 651527700 /nfs/dbraw/zinc/52/77/00/651527700.db2.gz GGNAHEBWKXFMRB-QWHCGFSZSA-N 1 0 384.303 1.880 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1scnc1C(F)(F)F ZINC000574290196 651529506 /nfs/dbraw/zinc/52/95/06/651529506.db2.gz OXHDMNMNZSWMDZ-JTQLQIEISA-N 1 0 378.420 1.834 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000574518038 651548701 /nfs/dbraw/zinc/54/87/01/651548701.db2.gz RVSXXOFMDFHBCM-LBPRGKRZSA-N 1 0 393.303 1.457 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000574679443 651559426 /nfs/dbraw/zinc/55/94/26/651559426.db2.gz OJUGCLUSFWUWFN-UHFFFAOYSA-N 1 0 379.477 1.067 20 0 GDADRO O=C(CC[C@@H]1CC[NH2+]C1)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000574809176 651570306 /nfs/dbraw/zinc/57/03/06/651570306.db2.gz PYMIRQGSDXDSSL-LLVKDONJSA-N 1 0 377.869 1.263 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000575003454 651576037 /nfs/dbraw/zinc/57/60/37/651576037.db2.gz NRNKAGGUZXMWCX-UHFFFAOYSA-N 1 0 387.933 1.750 20 0 GDADRO 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CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NCCC[NH+](C)C)s1 ZINC000591538569 652163272 /nfs/dbraw/zinc/16/32/72/652163272.db2.gz BGBGESHRCRVJQW-UHFFFAOYSA-N 1 0 390.575 1.572 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCc1ccc(Br)cc1F ZINC000592547885 652193450 /nfs/dbraw/zinc/19/34/50/652193450.db2.gz BCLDWFBHPIQSLJ-CQSZACIVSA-N 1 0 387.249 1.884 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000592550105 652194369 /nfs/dbraw/zinc/19/43/69/652194369.db2.gz DBOMLIMOMPNJNK-CHWSQXEVSA-N 1 0 383.242 1.289 20 0 GDADRO COC(=O)c1cc(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)cc(Br)c1F ZINC000592567391 652195518 /nfs/dbraw/zinc/19/55/18/652195518.db2.gz TZTDDEZKKNUEIY-GZMMTYOYSA-N 1 0 375.194 1.690 20 0 GDADRO O=C(CSCc1cc(=O)n2ccsc2n1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568711 652196047 /nfs/dbraw/zinc/19/60/47/652196047.db2.gz NWBALLSFPVLYLO-LBPRGKRZSA-N 1 0 378.523 1.780 20 0 GDADRO Cn1cc(I)c(CNC(=O)NCCC2CC[NH2+]CC2)n1 ZINC000593710762 652240427 /nfs/dbraw/zinc/24/04/27/652240427.db2.gz LOAJNXXMATUHPH-UHFFFAOYSA-N 1 0 391.257 1.214 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NCCC2(C[NH3+])CC2)c1 ZINC000593729922 652244277 /nfs/dbraw/zinc/24/42/77/652244277.db2.gz CWNBBYVSLAOKDG-UHFFFAOYSA-N 1 0 391.287 1.643 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000593729547 652244319 /nfs/dbraw/zinc/24/43/19/652244319.db2.gz GPSPNLPYLJLYAC-LBPRGKRZSA-N 1 0 380.388 1.912 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000593733310 652245736 /nfs/dbraw/zinc/24/57/36/652245736.db2.gz SGNRCLYBBDXVPD-MRVWCRGKSA-N 1 0 388.511 1.584 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](OC)c1ccccc1Br ZINC000594444311 652285407 /nfs/dbraw/zinc/28/54/07/652285407.db2.gz OHSKQCUDHWMMCA-ZIAGYGMSSA-N 1 0 385.258 1.500 20 0 GDADRO COc1ccc(OCCCS(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000594464971 652296635 /nfs/dbraw/zinc/29/66/35/652296635.db2.gz BYLBFNDTYOGGTQ-SJORKVTESA-N 1 0 388.555 1.771 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628762 652328543 /nfs/dbraw/zinc/32/85/43/652328543.db2.gz IQYMLQYLZNSZFA-AWEZNQCLSA-N 1 0 377.576 1.182 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)CCN2C1=O ZINC000594875606 652384554 /nfs/dbraw/zinc/38/45/54/652384554.db2.gz MKFOMZFPGKEAGJ-UWVGGRQHSA-N 1 0 398.286 1.304 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)CCN2C1=O ZINC000594875608 652384588 /nfs/dbraw/zinc/38/45/88/652384588.db2.gz MKFOMZFPGKEAGJ-ZJUUUORDSA-N 1 0 398.286 1.304 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cnc(-c4cccc(Cl)c4)s3)CCN2C1=O ZINC000594879338 652385450 /nfs/dbraw/zinc/38/54/50/652385450.db2.gz MZUVMILLYSPGDK-OLZOCXBDSA-N 1 0 376.869 1.848 20 0 GDADRO O[C@H](C[NH2+][C@H]1CCc2ccc(I)cc21)Cn1ccnn1 ZINC000595052554 652389513 /nfs/dbraw/zinc/38/95/13/652389513.db2.gz RMMHTCIAXLBBDL-OCCSQVGLSA-N 1 0 384.221 1.521 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000595106858 652392182 /nfs/dbraw/zinc/39/21/82/652392182.db2.gz YHODEMVJIUHIBM-JTQLQIEISA-N 1 0 391.287 1.514 20 0 GDADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1C(=O)OC ZINC000595108669 652392463 /nfs/dbraw/zinc/39/24/63/652392463.db2.gz OELKGCJUMRICEE-LLVKDONJSA-N 1 0 391.287 1.608 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000595109078 652392714 /nfs/dbraw/zinc/39/27/14/652392714.db2.gz XZJFRVLUISGKID-ZJUUUORDSA-N 1 0 391.287 1.594 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000595109582 652393086 /nfs/dbraw/zinc/39/30/86/652393086.db2.gz YGZFQEFODOHIQF-QWRGUYRKSA-N 1 0 391.287 1.784 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3cc(Cl)cc(Br)c3)CCN2C1=O ZINC000595232405 652399524 /nfs/dbraw/zinc/39/95/24/652399524.db2.gz AOEGGYBXYZREHV-VXGBXAGGSA-N 1 0 387.665 1.878 20 0 GDADRO Cc1cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(F)cc1Br ZINC000595232606 652399939 /nfs/dbraw/zinc/39/99/39/652399939.db2.gz FEEVWBRHOLWBSW-JOYOIKCWSA-N 1 0 385.237 1.672 20 0 GDADRO C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1cccc(Br)c1 ZINC000595266236 652400999 /nfs/dbraw/zinc/40/09/99/652400999.db2.gz KTYLVYZRAGHOOL-BPNCWPANSA-N 1 0 381.274 1.464 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCCCc3cccc(Br)c3)CCN2C1=O ZINC000595265366 652401077 /nfs/dbraw/zinc/40/10/77/652401077.db2.gz IQBWPBXHYLJCIX-GJZGRUSLSA-N 1 0 395.301 1.335 20 0 GDADRO COC(=O)c1oc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000595330192 652408576 /nfs/dbraw/zinc/40/85/76/652408576.db2.gz KKZIXWILIKLSKQ-STQMWFEESA-N 1 0 388.511 1.575 20 0 GDADRO COC(=O)C1(CS(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCCC1 ZINC000595403640 652417408 /nfs/dbraw/zinc/41/74/08/652417408.db2.gz GMYYYVRNMMNLRG-OAHLLOKOSA-N 1 0 376.519 1.092 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595404801 652417800 /nfs/dbraw/zinc/41/78/00/652417800.db2.gz OBHKRSJFQYBKOM-BZUAXINKSA-N 1 0 376.519 1.091 20 0 GDADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595905351 652425555 /nfs/dbraw/zinc/42/55/55/652425555.db2.gz CGVRZHDTOBEBSR-OASPWFOLSA-N 1 0 391.228 1.989 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)NCCc1ccc(I)cc1 ZINC000595946671 652428657 /nfs/dbraw/zinc/42/86/57/652428657.db2.gz MNEYFJPQPXSUHX-LBPRGKRZSA-N 1 0 390.221 1.230 20 0 GDADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]([NH3+])COC(C)C)C2 ZINC000596002144 652432686 /nfs/dbraw/zinc/43/26/86/652432686.db2.gz RRWQBEBGIUNVKS-VIFPVBQESA-N 1 0 391.287 1.892 20 0 GDADRO C[C@H](CSCCF)[NH2+]C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000597086081 652446892 /nfs/dbraw/zinc/44/68/92/652446892.db2.gz NCNJZFBPPDTCJP-GFCCVEGCSA-N 1 0 390.502 1.512 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000598501696 652470127 /nfs/dbraw/zinc/47/01/27/652470127.db2.gz LHSZVWBKKPZZJA-UHFFFAOYSA-N 1 0 391.584 1.355 20 0 GDADRO COC(=O)CCNC(=O)CC[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000599007487 652477635 /nfs/dbraw/zinc/47/76/35/652477635.db2.gz LSORSABCIIDEIL-UHFFFAOYSA-N 1 0 397.273 1.564 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000599111063 652479356 /nfs/dbraw/zinc/47/93/56/652479356.db2.gz YWGUJKCSPMCXGW-ZDUSSCGKSA-N 1 0 388.511 1.314 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000599602289 652510717 /nfs/dbraw/zinc/51/07/17/652510717.db2.gz CCFBMURDKLUQSM-UHFFFAOYSA-N 1 0 386.246 1.865 20 0 GDADRO COC(=O)c1cc(NC(=O)N(C)CCOCC[NH3+])c(C)cc1Br ZINC000599603955 652511002 /nfs/dbraw/zinc/51/10/02/652511002.db2.gz HYFZZLWAGFEYIW-UHFFFAOYSA-N 1 0 388.262 1.983 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)ccc1Br ZINC000599895818 652517237 /nfs/dbraw/zinc/51/72/37/652517237.db2.gz LGRPTTDMXZCXRG-ONGXEEELSA-N 1 0 398.257 1.431 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O ZINC000601307201 652567148 /nfs/dbraw/zinc/56/71/48/652567148.db2.gz XCSBJRJHCVIZLN-KGLIPLIRSA-N 1 0 376.519 1.122 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(Br)c1 ZINC000601345608 652568050 /nfs/dbraw/zinc/56/80/50/652568050.db2.gz DVWHSNAWLZALSQ-QWRGUYRKSA-N 1 0 389.271 1.361 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1I ZINC000601574263 652594912 /nfs/dbraw/zinc/59/49/12/652594912.db2.gz JTOPRSWZDOTTDW-ZJUUUORDSA-N 1 0 387.221 1.486 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(F)c1I ZINC000601573815 652594934 /nfs/dbraw/zinc/59/49/34/652594934.db2.gz FEQNWVIRXDJGHF-HTQZYQBOSA-N 1 0 391.184 1.317 20 0 GDADRO CC(C)C[N@H+](C)CCCNC(=O)c1nn(C)cc1I ZINC000602352541 652632868 /nfs/dbraw/zinc/63/28/68/652632868.db2.gz UBJPTXKXZYMSTF-UHFFFAOYSA-N 1 0 378.258 1.732 20 0 GDADRO C[S@@](=O)C1(C(=O)Nc2ccc(I)cc2)CC[NH2+]CC1 ZINC000602433138 652636838 /nfs/dbraw/zinc/63/68/38/652636838.db2.gz RDWNIEPPURZBLD-LJQANCHMSA-N 1 0 392.262 1.730 20 0 GDADRO C[S@@](=O)C1(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC[NH2+]CC1 ZINC000602438715 652637174 /nfs/dbraw/zinc/63/71/74/652637174.db2.gz HXAGQEHUGFKCRS-RUZDIDTESA-N 1 0 383.901 1.671 20 0 GDADRO COC(=O)[C@]1(NC(=O)[C@H]2CC[NH2+][C@@H]2C)CCc2cc(Br)ccc2C1 ZINC000602545839 652640483 /nfs/dbraw/zinc/64/04/83/652640483.db2.gz XLFCHYYESIWNIK-PSZVPEGOSA-N 1 0 395.297 1.964 20 0 GDADRO COC(=O)c1csc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000602553971 652641250 /nfs/dbraw/zinc/64/12/50/652641250.db2.gz LUZSSJAJGSKKNG-CYBMUJFWSA-N 1 0 376.500 1.113 20 0 GDADRO C[S@](=O)C1(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC[NH2+]CC1 ZINC000602580527 652642167 /nfs/dbraw/zinc/64/21/67/652642167.db2.gz NUSKQHUDJTZSAT-XESHVACXSA-N 1 0 388.892 1.926 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1nn(C)cc1I ZINC000602781722 652646248 /nfs/dbraw/zinc/64/62/48/652646248.db2.gz DXYIWXLAZRJIRS-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1nn(C)cc1I ZINC000602804342 652647021 /nfs/dbraw/zinc/64/70/21/652647021.db2.gz DKTLTZGBDARGLS-WDEREUQCSA-N 1 0 390.269 1.875 20 0 GDADRO CC[C@H](C[NH+]1CCN(c2ncc(I)cn2)CC1)OC ZINC000602953983 652661030 /nfs/dbraw/zinc/66/10/30/652661030.db2.gz FUINKTFRBBEZNF-GFCCVEGCSA-N 1 0 376.242 1.628 20 0 GDADRO CSCCC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602954803 652661166 /nfs/dbraw/zinc/66/11/66/652661166.db2.gz IKACJFGUMLPFGL-UHFFFAOYSA-N 1 0 378.283 1.956 20 0 GDADRO Cn1cc(I)c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000603067387 652676422 /nfs/dbraw/zinc/67/64/22/652676422.db2.gz MXOJJNXSAKQNJM-AWEZNQCLSA-N 1 0 388.253 1.583 20 0 GDADRO C[NH2+]Cc1cn([C@H](C)C(=O)Nc2cccc(I)c2)nn1 ZINC000603204244 652685759 /nfs/dbraw/zinc/68/57/59/652685759.db2.gz UGESNQVXDSTXQR-SECBINFHSA-N 1 0 385.209 1.802 20 0 GDADRO [NH3+]CCSCc1cn(C[C@H](O)COc2cccc(Br)c2)nn1 ZINC000603260409 652690153 /nfs/dbraw/zinc/69/01/53/652690153.db2.gz SQXIDXQAZLJLNR-ZDUSSCGKSA-N 1 0 387.303 1.672 20 0 GDADRO CSC1(CNS(=O)(=O)C[C@H]2COc3ccccc3O2)CC[NH+](C)CC1 ZINC000603343658 652702486 /nfs/dbraw/zinc/70/24/86/652702486.db2.gz JLEOTBFDGXDSMS-CQSZACIVSA-N 1 0 386.539 1.573 20 0 GDADRO O=C(CSCc1cscn1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603412843 652712869 /nfs/dbraw/zinc/71/28/69/652712869.db2.gz UVMIYOBXLQRPDJ-HNNXBMFYSA-N 1 0 384.571 1.289 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000603958742 652731882 /nfs/dbraw/zinc/73/18/82/652731882.db2.gz FVMXSLZYUVNMTH-OAHLLOKOSA-N 1 0 375.535 1.218 20 0 GDADRO COc1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1Br ZINC000605242132 652752715 /nfs/dbraw/zinc/75/27/15/652752715.db2.gz KMEOHILTHUJVNI-ZDUSSCGKSA-N 1 0 384.274 1.853 20 0 GDADRO C[N@H+](CCNC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)C1CC1 ZINC000605658789 652763517 /nfs/dbraw/zinc/76/35/17/652763517.db2.gz LZISTGNGAMGLIX-UHFFFAOYSA-N 1 0 378.416 1.776 20 0 GDADRO CN(CCCNC(=O)N(CC[NH+](C)C)CC1CCCCC1)S(C)(=O)=O ZINC000606642618 652776135 /nfs/dbraw/zinc/77/61/35/652776135.db2.gz MXTBVFMWVXQTPH-UHFFFAOYSA-N 1 0 376.567 1.421 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3n[nH]cc3Br)CC2)C1 ZINC000606695026 652777313 /nfs/dbraw/zinc/77/73/13/652777313.db2.gz ZXCYLRRNCRVOTF-LBPRGKRZSA-N 1 0 385.310 1.094 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2nnnn2CC(F)(F)F)[C@@H](C)C1 ZINC000607519715 652801439 /nfs/dbraw/zinc/80/14/39/652801439.db2.gz FCXGWUQDNKVLEO-QWRGUYRKSA-N 1 0 380.440 1.516 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]1c1cccs1 ZINC000607671560 652803993 /nfs/dbraw/zinc/80/39/93/652803993.db2.gz QKGRDZIOOUXBQN-CZUORRHYSA-N 1 0 387.571 1.965 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000608029944 652811197 /nfs/dbraw/zinc/81/11/97/652811197.db2.gz IUWQYRBDVALAAJ-GFCCVEGCSA-N 1 0 377.532 1.192 20 0 GDADRO COC(=O)c1ccsc1N1CC[C@H](N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)C1=O ZINC000611191284 652910685 /nfs/dbraw/zinc/91/06/85/652910685.db2.gz GOQPLDCJADSGAW-MJBXVCDLSA-N 1 0 383.539 1.617 20 0 GDADRO CCN(C(=O)C(=O)NCc1cc(C)ccc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000611971848 652924695 /nfs/dbraw/zinc/92/46/95/652924695.db2.gz HVYGMYBZKJZEJY-CQSZACIVSA-N 1 0 382.302 1.926 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000612545302 652938549 /nfs/dbraw/zinc/93/85/49/652938549.db2.gz JHWLQNJQLDQCPP-CYBMUJFWSA-N 1 0 385.306 1.347 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000612542609 652938597 /nfs/dbraw/zinc/93/85/97/652938597.db2.gz JJXNIQZLPSMPJM-MRXNPFEDSA-N 1 0 394.313 1.934 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000612547401 652938880 /nfs/dbraw/zinc/93/88/80/652938880.db2.gz CSLCQOOYVVRCCN-AWEZNQCLSA-N 1 0 394.313 1.934 20 0 GDADRO CC[NH+](CC)CCN(C(=O)[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000613011424 652949425 /nfs/dbraw/zinc/94/94/25/652949425.db2.gz FYOBVTYBCHWIPT-GJZGRUSLSA-N 1 0 387.571 1.913 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000614127382 652959304 /nfs/dbraw/zinc/95/93/04/652959304.db2.gz DYGALZLGWIMOQW-GJZGRUSLSA-N 1 0 385.917 1.751 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000614859837 652960448 /nfs/dbraw/zinc/96/04/48/652960448.db2.gz SHJZRUOMYPSJSD-JTQLQIEISA-N 1 0 394.107 1.793 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Br)ccc3-n3cnnn3)C2)C1 ZINC000615204522 652961963 /nfs/dbraw/zinc/96/19/63/652961963.db2.gz UFXXAZPARURURL-MRXNPFEDSA-N 1 0 391.273 1.593 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000615279965 652962404 /nfs/dbraw/zinc/96/24/04/652962404.db2.gz YLVQXMAYAUXRSA-AWEZNQCLSA-N 1 0 396.329 1.922 20 0 GDADRO C[NH+](C)CC1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000615512270 652963547 /nfs/dbraw/zinc/96/35/47/652963547.db2.gz FAZYOLSIEGELKO-ZDUSSCGKSA-N 1 0 380.286 1.822 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)ccc3-n3cnnn3)C[C@@H]21 ZINC000615850104 652965515 /nfs/dbraw/zinc/96/55/15/652965515.db2.gz MJEGUSUUOKFKEB-YGRLFVJLSA-N 1 0 377.246 1.201 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000616989752 652971027 /nfs/dbraw/zinc/97/10/27/652971027.db2.gz UMXRUYOHVLIWIV-CYBMUJFWSA-N 1 0 387.933 1.855 20 0 GDADRO CC1CC[NH+](CC(=O)NCCNC(=O)c2ccc(Br)cn2)CC1 ZINC000617359061 652973437 /nfs/dbraw/zinc/97/34/37/652973437.db2.gz OZBQOYOGTXWXBC-UHFFFAOYSA-N 1 0 383.290 1.422 20 0 GDADRO CN1CCN(c2cc[nH+]cc2NC(=O)Cn2cc(Br)cn2)CC1 ZINC000619180094 652985732 /nfs/dbraw/zinc/98/57/32/652985732.db2.gz FBIIVLNUBITLNX-UHFFFAOYSA-N 1 0 379.262 1.431 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000619899371 652989856 /nfs/dbraw/zinc/98/98/56/652989856.db2.gz YZVNJRRLJOYACH-SNVBAGLBSA-N 1 0 382.258 1.994 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620478584 652991410 /nfs/dbraw/zinc/99/14/10/652991410.db2.gz YOKDWBDNFDZJKL-LBPRGKRZSA-N 1 0 384.274 1.529 20 0 GDADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620485966 652991509 /nfs/dbraw/zinc/99/15/09/652991509.db2.gz YOKIKZWZTGZYND-ZDUSSCGKSA-N 1 0 393.285 1.997 20 0 GDADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620486661 652991607 /nfs/dbraw/zinc/99/16/07/652991607.db2.gz LDLTYFZROZLZFM-CYBMUJFWSA-N 1 0 397.269 1.849 20 0 GDADRO NS(=O)(=O)c1cc2c(s1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC000620734181 652993025 /nfs/dbraw/zinc/99/30/25/652993025.db2.gz UDFFORTWSVEISX-AWEZNQCLSA-N 1 0 383.539 1.687 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH2+][C@H](C(C)C)C2)s1 ZINC000621151201 652996256 /nfs/dbraw/zinc/99/62/56/652996256.db2.gz VINNANJCCRFAHS-LSDHHAIUSA-N 1 0 385.555 1.666 20 0 GDADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(Br)c[nH]c1=O ZINC000621621548 652997912 /nfs/dbraw/zinc/99/79/12/652997912.db2.gz BYJVUDPTTNNDDY-UHFFFAOYSA-N 1 0 378.230 1.607 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)s1 ZINC000621696260 652998955 /nfs/dbraw/zinc/99/89/55/652998955.db2.gz JNWOSUOWRVCLSP-JJRVBVJISA-N 1 0 383.539 1.549 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC000621700936 652998957 /nfs/dbraw/zinc/99/89/57/652998957.db2.gz ZTYGYBYCJMLOSX-BONVTDFDSA-N 1 0 392.308 1.612 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(Br)c[nH]c1=O ZINC000621977661 653000581 /nfs/dbraw/zinc/00/05/81/653000581.db2.gz SAEIBOYELHRCGL-NSHDSACASA-N 1 0 384.274 1.875 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622012534 653000848 /nfs/dbraw/zinc/00/08/48/653000848.db2.gz DDLFHPMZVNFNCE-QMTHXVAHSA-N 1 0 375.288 1.960 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622025271 653000937 /nfs/dbraw/zinc/00/09/37/653000937.db2.gz NSCMGFMJWGHLHK-ZUZCIYMTSA-N 1 0 386.315 1.809 20 0 GDADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c(Cl)c1 ZINC000624281063 653010950 /nfs/dbraw/zinc/01/09/50/653010950.db2.gz YLSWAAKJVAEZFQ-LBPRGKRZSA-N 1 0 388.921 1.446 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccnc3OCC(F)F)CC[C@H]21 ZINC000625069664 653016682 /nfs/dbraw/zinc/01/66/82/653016682.db2.gz GUJQBRWCHCYIBJ-CHWSQXEVSA-N 1 0 375.441 1.830 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(F)c(Br)cc1C ZINC000625129106 653018906 /nfs/dbraw/zinc/01/89/06/653018906.db2.gz RWPFBNCQQKRRPV-UHFFFAOYSA-N 1 0 383.283 1.489 20 0 GDADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCN2CCOC[C@H]2C1 ZINC000625326065 653027490 /nfs/dbraw/zinc/02/74/90/653027490.db2.gz PUTYFMNQXNUOOC-ZBFHGGJFSA-N 1 0 380.286 1.719 20 0 GDADRO C[C@H]1C[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H](C)C1(F)F ZINC000625647912 653039052 /nfs/dbraw/zinc/03/90/52/653039052.db2.gz IVIKQNJZOCZXJV-RYUDHWBXSA-N 1 0 375.441 1.886 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cccc(Cl)c1Br ZINC000626882230 653062628 /nfs/dbraw/zinc/06/26/28/653062628.db2.gz HVGOTJVPUWBLFA-MRVPVSSYSA-N 1 0 376.638 1.146 20 0 GDADRO [NH3+]CC1(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCOCC1 ZINC000626882344 653062666 /nfs/dbraw/zinc/06/26/66/653062666.db2.gz LOTDZCUWMGDCOQ-UHFFFAOYSA-N 1 0 379.766 1.921 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C[NH2+]1 ZINC000626892629 653063494 /nfs/dbraw/zinc/06/34/94/653063494.db2.gz IBWIGQUVKDUGDI-CBAPKCEASA-N 1 0 376.201 1.923 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626894471 653064059 /nfs/dbraw/zinc/06/40/59/653064059.db2.gz YYISPDRNBSBVCL-WDEREUQCSA-N 1 0 384.274 1.961 20 0 GDADRO CN(CCOCC[NH3+])C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000626896907 653064502 /nfs/dbraw/zinc/06/45/02/653064502.db2.gz MSAAVXFSROMBPB-UHFFFAOYSA-N 1 0 379.791 1.356 20 0 GDADRO C[NH2+]CCOCCNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000626948137 653065355 /nfs/dbraw/zinc/06/53/55/653065355.db2.gz BQORTQFEDPYISS-CQSZACIVSA-N 1 0 399.333 1.811 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000626976294 653065940 /nfs/dbraw/zinc/06/59/40/653065940.db2.gz VTECOJFPFRULRD-CQSZACIVSA-N 1 0 399.333 1.905 20 0 GDADRO C[NH2+]CCOCCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000626969191 653065957 /nfs/dbraw/zinc/06/59/57/653065957.db2.gz QYWGKFJOCZRDPQ-AWEZNQCLSA-N 1 0 385.306 1.563 20 0 GDADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000627004364 653066401 /nfs/dbraw/zinc/06/64/01/653066401.db2.gz LAJZNABTCPUGGT-NSHDSACASA-N 1 0 394.950 1.319 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000627018492 653066892 /nfs/dbraw/zinc/06/68/92/653066892.db2.gz ZAQNMUSFFCIWPO-MWLCHTKSSA-N 1 0 399.460 1.820 20 0 GDADRO C[NH2+]CCOCCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000627020773 653066957 /nfs/dbraw/zinc/06/69/57/653066957.db2.gz LGKPHKOELXUQOT-CQSZACIVSA-N 1 0 399.289 1.090 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000627020535 653066982 /nfs/dbraw/zinc/06/69/82/653066982.db2.gz ILHJXFFOKCMRNM-JOYOIKCWSA-N 1 0 379.404 1.659 20 0 GDADRO [NH3+]C1(CNC(=O)N2CCOc3ccc(Br)cc3C2)CCOCC1 ZINC000627148544 653067685 /nfs/dbraw/zinc/06/76/85/653067685.db2.gz DWGYJMVGQYWZGY-UHFFFAOYSA-N 1 0 384.274 1.861 20 0 GDADRO [NH3+]C1(CNC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CCOCC1 ZINC000627148472 653067752 /nfs/dbraw/zinc/06/77/52/653067752.db2.gz DNZPIEDYUNKFNH-ZDUSSCGKSA-N 1 0 390.253 1.429 20 0 GDADRO [NH3+]C1(CNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CCOCC1 ZINC000627153905 653067771 /nfs/dbraw/zinc/06/77/71/653067771.db2.gz ALNVQBMGITUFRF-LLVKDONJSA-N 1 0 392.283 1.540 20 0 GDADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627267092 653070722 /nfs/dbraw/zinc/07/07/22/653070722.db2.gz JTJKDHYTAGRLIQ-QWRGUYRKSA-N 1 0 395.257 1.312 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCOCCC[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000627292498 653071565 /nfs/dbraw/zinc/07/15/65/653071565.db2.gz WHFJCTYYOAWFIC-VIFPVBQESA-N 1 0 380.247 1.791 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000627292534 653071568 /nfs/dbraw/zinc/07/15/68/653071568.db2.gz XPPPFWIIEIZAFW-BDAKNGLRSA-N 1 0 378.231 1.414 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627295100 653071785 /nfs/dbraw/zinc/07/17/85/653071785.db2.gz UFMPPDVNCNZZGS-CYBMUJFWSA-N 1 0 384.249 1.605 20 0 GDADRO CN(CCOCC[NH3+])C(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000627316034 653071931 /nfs/dbraw/zinc/07/19/31/653071931.db2.gz XSPMCLGUBDXXFC-UHFFFAOYSA-N 1 0 392.681 1.152 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627353177 653073366 /nfs/dbraw/zinc/07/33/66/653073366.db2.gz UQZHOTLHRCMOQA-GWCFXTLKSA-N 1 0 384.274 1.331 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)Oc1ccc(Br)cc1 ZINC000627375273 653074069 /nfs/dbraw/zinc/07/40/69/653074069.db2.gz PXAQJNUQCXVFHA-DYEKYZERSA-N 1 0 398.301 1.589 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCCCC3)C[C@H]21 ZINC000627646134 653076878 /nfs/dbraw/zinc/07/68/78/653076878.db2.gz DPTFLFSYUNNMDM-NHAGDIPZSA-N 1 0 383.539 1.555 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000627982300 653082825 /nfs/dbraw/zinc/08/28/25/653082825.db2.gz CPCCEBCGXNMFTL-SECBINFHSA-N 1 0 380.659 1.768 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1cccc(Cl)c1Br ZINC000628104810 653089573 /nfs/dbraw/zinc/08/95/73/653089573.db2.gz FHEIBXOGJTYWMZ-VIFPVBQESA-N 1 0 390.665 1.224 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)Cn1cnc(C(N)=O)n1)c1ccc(Cl)c(Cl)c1 ZINC000628969925 653129070 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C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1c(Br)cnn1C ZINC000633428324 653444329 /nfs/dbraw/zinc/44/43/29/653444329.db2.gz LTPODOUDFRQSFD-NSHDSACASA-N 1 0 388.310 1.169 20 0 GDADRO CNS(=O)(=O)CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000633472432 653448827 /nfs/dbraw/zinc/44/88/27/653448827.db2.gz ZGJOSHBWEZMRPL-DZGCQCFKSA-N 1 0 388.559 1.370 20 0 GDADRO COC[C@H]([NH3+])C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299212 653490014 /nfs/dbraw/zinc/49/00/14/653490014.db2.gz KQQUJRGAUJIDLO-AWEZNQCLSA-N 1 0 399.289 1.535 20 0 GDADRO C[C@](O)(C[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1Br)C1CC1 ZINC000634720711 653497303 /nfs/dbraw/zinc/49/73/03/653497303.db2.gz OCBKQQMCRQSNKI-VBQJREDUSA-N 1 0 388.302 1.690 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634767430 653498567 /nfs/dbraw/zinc/49/85/67/653498567.db2.gz WCWZFCMMPQRMBB-FCHSOHFDSA-N 1 0 386.315 1.887 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cscc2Cl)CC1 ZINC000635089436 653505962 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C[NH+](C)CCN1C(=O)C[C@@H](N2CCOc3cc(Br)ccc3C2)C1=O ZINC000663221959 654323055 /nfs/dbraw/zinc/32/30/55/654323055.db2.gz KCUGVNSXVIATLI-CQSZACIVSA-N 1 0 396.285 1.333 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000663309805 654332280 /nfs/dbraw/zinc/33/22/80/654332280.db2.gz DBFHTQVIHQYXRJ-JTQLQIEISA-N 1 0 391.209 1.968 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000663312256 654333039 /nfs/dbraw/zinc/33/30/39/654333039.db2.gz AHXGSGIBYIRIGH-HNNXBMFYSA-N 1 0 375.516 1.259 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1F ZINC000663313269 654333394 /nfs/dbraw/zinc/33/33/94/654333394.db2.gz WACPZBYWROVJJA-AWEZNQCLSA-N 1 0 379.479 1.008 20 0 GDADRO CN(C(=O)CC[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccccc1 ZINC000663365086 654335163 /nfs/dbraw/zinc/33/51/63/654335163.db2.gz GJRXNZYRRFZYKR-OAHLLOKOSA-N 1 0 382.507 1.525 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000663722741 654350169 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CC[N@@H+]1CCCC[C@H]1CNc1ncc(Br)cc1S(N)(=O)=O ZINC000679470756 654703169 /nfs/dbraw/zinc/70/31/69/654703169.db2.gz SOFNCPMTHCFQES-NSHDSACASA-N 1 0 377.308 1.778 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000680332270 654713043 /nfs/dbraw/zinc/71/30/43/654713043.db2.gz VYZMSMAEJFXMRU-CQSZACIVSA-N 1 0 396.333 1.549 20 0 GDADRO NC(=O)C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)C1CCOCC1 ZINC000680402076 654713810 /nfs/dbraw/zinc/71/38/10/654713810.db2.gz WYOHALAIPOGUNC-AWEZNQCLSA-N 1 0 381.274 1.857 20 0 GDADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000680513526 654715539 /nfs/dbraw/zinc/71/55/39/654715539.db2.gz NOIBHVAEFGWMGQ-UHFFFAOYSA-N 1 0 375.466 1.421 20 0 GDADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)c(Br)c1 ZINC000743344889 654715801 /nfs/dbraw/zinc/71/58/01/654715801.db2.gz XFKWNEQKERNARW-QWRGUYRKSA-N 1 0 393.278 1.730 20 0 GDADRO CCNS(=O)(=O)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000743602136 654718266 /nfs/dbraw/zinc/71/82/66/654718266.db2.gz 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C[NH+](C)CC1(O)CCN(C(=O)c2ccccc2I)CC1 ZINC000710570968 654834796 /nfs/dbraw/zinc/83/47/96/654834796.db2.gz PWHJMBHUMSBFPS-UHFFFAOYSA-N 1 0 388.249 1.820 20 0 GDADRO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000709843467 654834886 /nfs/dbraw/zinc/83/48/86/654834886.db2.gz YFWYUJPBEPZEPT-HUUCEWRRSA-N 1 0 377.551 1.941 20 0 GDADRO C[NH+](C)CC1CCC(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000749736351 654839293 /nfs/dbraw/zinc/83/92/93/654839293.db2.gz QLRJBDPVKPPYGZ-UHFFFAOYSA-N 1 0 384.571 1.419 20 0 GDADRO C[C@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H]1CCOC1 ZINC000721747476 654839479 /nfs/dbraw/zinc/83/94/79/654839479.db2.gz ZAGRYLSZNXYDON-KKUMJFAQSA-N 1 0 376.519 1.425 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]CC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CO[C@H]1C ZINC000721768463 654839578 /nfs/dbraw/zinc/83/95/78/654839578.db2.gz HZDNOXSPTNELOP-AJNGGQMLSA-N 1 0 376.519 1.424 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000721787154 654839921 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CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2scnc2C2CC2)c1 ZINC000785455935 654917707 /nfs/dbraw/zinc/91/77/07/654917707.db2.gz PUHQBSQXIIEUSW-UHFFFAOYSA-N 1 0 380.495 1.657 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc(Br)cn2ncnc12 ZINC000830022033 654925811 /nfs/dbraw/zinc/92/58/11/654925811.db2.gz JWSISPFVELTZCR-CHWSQXEVSA-N 1 0 396.314 1.801 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000801513777 654926013 /nfs/dbraw/zinc/92/60/13/654926013.db2.gz QEHTZRVITLXTKK-LSDHHAIUSA-N 1 0 375.535 1.505 20 0 GDADRO CCCCCC[N@H+](CCN1CCOCC1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801519108 654926634 /nfs/dbraw/zinc/92/66/34/654926634.db2.gz GLITYUQFBBLIKX-GOSISDBHSA-N 1 0 375.579 1.482 20 0 GDADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000730265016 654927678 /nfs/dbraw/zinc/92/76/78/654927678.db2.gz PAGGFJRFUMIHFQ-CQSZACIVSA-N 1 0 377.551 1.893 20 0 GDADRO CNS(=O)(=O)[C@H]1CC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801933516 654935958 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C[C@H]1C[C@H](CCNC(=S)NCCS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000753673854 654954931 /nfs/dbraw/zinc/95/49/31/654954931.db2.gz QLADTAVBHODSLT-RDJZCZTQSA-N 1 0 383.583 1.796 20 0 GDADRO O=C(NCCSC(F)(F)F)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787121320 654959909 /nfs/dbraw/zinc/95/99/09/654959909.db2.gz FQYJRUNBNZTIHS-GFCCVEGCSA-N 1 0 383.436 1.115 20 0 GDADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000830865582 654961014 /nfs/dbraw/zinc/96/10/14/654961014.db2.gz OPYDVVLOWHEBHN-RSAASHCRSA-N 1 0 390.249 1.652 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000787531811 654967088 /nfs/dbraw/zinc/96/70/88/654967088.db2.gz JJJOXYQFRZVNNX-ZDUSSCGKSA-N 1 0 390.937 1.592 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000831069607 654968360 /nfs/dbraw/zinc/96/83/60/654968360.db2.gz XDAZIGNNLOOSHU-LBPRGKRZSA-N 1 0 388.253 1.658 20 0 GDADRO Cc1ccc(NC(=O)C[NH2+][C@@H](CCO)c2cccs2)cc1S(N)(=O)=O ZINC000754388520 654971252 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376.519 1.304 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCCN1CCO ZINC000843104548 655388615 /nfs/dbraw/zinc/38/86/15/655388615.db2.gz KHDDLPAQELBQHW-ZIAGYGMSSA-N 1 0 375.238 1.195 20 0 GDADRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000843103586 655388631 /nfs/dbraw/zinc/38/86/31/655388631.db2.gz MPMYPPPRPYVCNC-HZMBPMFUSA-N 1 0 382.309 1.945 20 0 GDADRO Cn1cc(C[C@H](CO)C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cn1 ZINC000843110813 655388657 /nfs/dbraw/zinc/38/86/57/655388657.db2.gz BIWXWJJEYQGBBA-LRDDRELGSA-N 1 0 386.265 1.796 20 0 GDADRO CNS(=O)(=O)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819253177 655388697 /nfs/dbraw/zinc/38/86/97/655388697.db2.gz CBSRKFNKAAQDQK-LBPRGKRZSA-N 1 0 385.711 1.449 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]CC2(S(C)(=O)=O)CC2)CC1 ZINC000819276260 655389167 /nfs/dbraw/zinc/38/91/67/655389167.db2.gz GPXOUGCTBZRCFM-AWEZNQCLSA-N 1 0 376.519 1.161 20 0 GDADRO CON(C)C(=O)CC[NH2+]CCOc1ccc(I)cc1 ZINC000819291310 655389282 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CC(C)(C)n1ncc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1Br ZINC000823727423 655467121 /nfs/dbraw/zinc/46/71/21/655467121.db2.gz APTSPVSEIBEHMR-LBPRGKRZSA-N 1 0 387.322 1.977 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC000824106703 655471783 /nfs/dbraw/zinc/47/17/83/655471783.db2.gz OAFPPGDVVDRSDT-AOOOYVTPSA-N 1 0 375.853 1.483 20 0 GDADRO C[C@@H]1C[C@@H](C[NH2+]CC2CN(S(C)(=O)=O)C2)CCN1C(=O)OC(C)(C)C ZINC000824214260 655472612 /nfs/dbraw/zinc/47/26/12/655472612.db2.gz DMFWMSGFNRKQRN-KGLIPLIRSA-N 1 0 375.535 1.503 20 0 GDADRO COCC[NH+]1CCC(OC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000847880946 655478520 /nfs/dbraw/zinc/47/85/20/655478520.db2.gz DHYOKDWTOTVWNT-UHFFFAOYSA-N 1 0 377.409 1.951 20 0 GDADRO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000825207710 655485799 /nfs/dbraw/zinc/48/57/99/655485799.db2.gz LUHHXJBUOCNCPT-LBPRGKRZSA-N 1 0 385.383 1.522 20 0 GDADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000825256912 655486826 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392.319 1.557 20 0 GDADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc(S(N)(=O)=O)oc1Cl ZINC000825588466 655491571 /nfs/dbraw/zinc/49/15/71/655491571.db2.gz ZEHMRLXKBNQUHJ-WDEREUQCSA-N 1 0 377.894 1.915 20 0 GDADRO Cc1cc([C@H]([NH3+])CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(Cl)n1 ZINC000825872571 655494282 /nfs/dbraw/zinc/49/42/82/655494282.db2.gz HKJCTHDQNKLNBT-CQSZACIVSA-N 1 0 382.873 1.397 20 0 GDADRO Cn1c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cnc1Cl ZINC000848524114 655496260 /nfs/dbraw/zinc/49/62/60/655496260.db2.gz CRENEDJHBOIKQG-UHFFFAOYSA-N 1 0 384.889 1.384 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1F ZINC000848599580 655497199 /nfs/dbraw/zinc/49/71/99/655497199.db2.gz BKHRFUJAISXLHB-HNNXBMFYSA-N 1 0 376.837 1.782 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)C(F)(F)F ZINC000848602758 655497385 /nfs/dbraw/zinc/49/73/85/655497385.db2.gz JAYWFIGSBLNJNN-GFCCVEGCSA-N 1 0 376.404 1.184 20 0 GDADRO OC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1Br)C1CCOCC1 ZINC000826508048 655498431 /nfs/dbraw/zinc/49/84/31/655498431.db2.gz BZXQXJXROMJETQ-CQSZACIVSA-N 1 0 382.262 1.506 20 0 GDADRO O=C1O[C@@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CN1C1CC1 ZINC000848678331 655498699 /nfs/dbraw/zinc/49/86/99/655498699.db2.gz KZSDMVXQHGKEDY-ZFWWWQNUSA-N 1 0 385.258 1.762 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000826677835 655500000 /nfs/dbraw/zinc/50/00/00/655500000.db2.gz PNBCMWXNNMYEMP-NSHDSACASA-N 1 0 379.404 1.536 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(I)n1 ZINC000826712528 655500410 /nfs/dbraw/zinc/50/04/10/655500410.db2.gz KHIOJOWGWWTQPB-VIFPVBQESA-N 1 0 394.282 1.113 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)CC[C@H]21 ZINC000827353174 655509536 /nfs/dbraw/zinc/50/95/36/655509536.db2.gz AIMHTTZUSPYJRR-UONOGXRCSA-N 1 0 383.539 1.699 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cc(Cl)n(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000827740232 655515740 /nfs/dbraw/zinc/51/57/40/655515740.db2.gz WUTMWOOMIOWSQU-GFCCVEGCSA-N 1 0 376.910 1.045 20 0 GDADRO CC(C)NC(=[NH2+])NC[C@H](O)COc1ccc(I)cc1 ZINC000849072465 655517182 /nfs/dbraw/zinc/51/71/82/655517182.db2.gz HRJZKPPRHAFMCY-NSHDSACASA-N 1 0 377.226 1.553 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)N[C@H]2COc3cccc(Br)c3C2)cn1 ZINC000828027735 655518493 /nfs/dbraw/zinc/51/84/93/655518493.db2.gz VYJVCAKNBVXYLA-CYBMUJFWSA-N 1 0 393.285 1.941 20 0 GDADRO [NH3+][C@H](CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000828087245 655519083 /nfs/dbraw/zinc/51/90/83/655519083.db2.gz BHTQEVMZCMBHNX-GFCCVEGCSA-N 1 0 391.946 1.752 20 0 GDADRO CC[NH+]1CCN(CC(=O)N[C@@H](COC)c2cccc(Br)c2)CC1 ZINC000828112017 655519280 /nfs/dbraw/zinc/51/92/80/655519280.db2.gz BDATUBZIOBWKCO-INIZCTEOSA-N 1 0 384.318 1.890 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2cnc(C(F)(F)F)nc2)cc1 ZINC000849327562 655522013 /nfs/dbraw/zinc/52/20/13/655522013.db2.gz OEHTWAGSWMCRBZ-ZDUSSCGKSA-N 1 0 375.372 1.722 20 0 GDADRO CN(C[C@H](O)C[NH2+]CC1(S(C)(=O)=O)CCCCC1)C(=O)OC(C)(C)C ZINC000849329802 655522037 /nfs/dbraw/zinc/52/20/37/655522037.db2.gz WMFNPWLQXXIDSI-CQSZACIVSA-N 1 0 378.535 1.551 20 0 GDADRO CO[C@H](CS(=O)(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000849371217 655523043 /nfs/dbraw/zinc/52/30/43/655523043.db2.gz RXKGCBRUFSTJEJ-RCCFBDPRSA-N 1 0 376.563 1.714 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000849411541 655529155 /nfs/dbraw/zinc/52/91/55/655529155.db2.gz NIQZEMHCNHWDJM-AWEZNQCLSA-N 1 0 375.535 1.647 20 0 GDADRO CSc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000850376851 655553631 /nfs/dbraw/zinc/55/36/31/655553631.db2.gz YZOYGFFORZCHRW-OLZOCXBDSA-N 1 0 383.901 1.980 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000850590935 655559443 /nfs/dbraw/zinc/55/94/43/655559443.db2.gz ZQONJLJJYPDUFP-ZIAGYGMSSA-N 1 0 386.880 1.945 20 0 GDADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)[NH+](C)C ZINC000850595878 655560120 /nfs/dbraw/zinc/56/01/20/655560120.db2.gz HEUILYOUGMXGAC-FORDYWAESA-N 1 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CCOP(=O)(OCC)[C@H](O)C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000851899429 655603558 /nfs/dbraw/zinc/60/35/58/655603558.db2.gz WYTBMPBPAVPVOM-DOMZBBRYSA-N 1 0 394.430 1.830 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)C(C)(C)C ZINC000852011079 655605681 /nfs/dbraw/zinc/60/56/81/655605681.db2.gz ZVLZHRIONUWWDX-GFCCVEGCSA-N 1 0 375.491 1.956 20 0 GDADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000852035870 655606315 /nfs/dbraw/zinc/60/63/15/655606315.db2.gz QWRVXNHGNUNNJG-KBPBESRZSA-N 1 0 385.452 1.582 20 0 GDADRO C[N@H+](C[C@H](O)c1ccccc1Br)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852149041 655608759 /nfs/dbraw/zinc/60/87/59/655608759.db2.gz DASCZJNUZPHQAE-WMZOPIPTSA-N 1 0 393.281 1.787 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)C1 ZINC000852224641 655610682 /nfs/dbraw/zinc/61/06/82/655610682.db2.gz ISQRPVWPNGQYMI-STQMWFEESA-N 1 0 386.543 1.336 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000852455900 655614747 /nfs/dbraw/zinc/61/47/47/655614747.db2.gz WIMJLTVWBJURAT-GFCCVEGCSA-N 1 0 379.404 1.036 20 0 GDADRO O=C(NCC[S@@](=O)CC(F)(F)F)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000852462964 655615910 /nfs/dbraw/zinc/61/59/10/655615910.db2.gz SAKIKCAHGLOHFV-YMXBGEKHSA-N 1 0 385.452 1.240 20 0 GDADRO COC[C@H](C[NH+]1CCC(n2nncc2I)CC1)OC ZINC000852533469 655617760 /nfs/dbraw/zinc/61/77/60/655617760.db2.gz ZEMYQHQJGBRXOJ-NSHDSACASA-N 1 0 380.230 1.181 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000852587511 655618174 /nfs/dbraw/zinc/61/81/74/655618174.db2.gz ZPLHBHYVGINQME-GFCCVEGCSA-N 1 0 385.452 1.670 20 0 GDADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000852793827 655622655 /nfs/dbraw/zinc/62/26/55/655622655.db2.gz GYGYJZSSGJEALL-JTQLQIEISA-N 1 0 380.297 1.836 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2I)CC[NH2+]1 ZINC000852797094 655622915 /nfs/dbraw/zinc/62/29/15/655622915.db2.gz KINUITOBWDZXHK-LLVKDONJSA-N 1 0 396.232 1.911 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)=NO1 ZINC000852818690 655623573 /nfs/dbraw/zinc/62/35/73/655623573.db2.gz ZEDMNUYCZHNZCW-AWEZNQCLSA-N 1 0 396.285 1.717 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)Nc2cc(F)c(I)c(F)c2)=NO1 ZINC000852828217 655623722 /nfs/dbraw/zinc/62/37/22/655623722.db2.gz VQLTWQARVSTLOQ-ZCFIWIBFSA-N 1 0 381.120 1.612 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NCc2cc(Br)ccc2OC(F)F)=NO1 ZINC000852828803 655623724 /nfs/dbraw/zinc/62/37/24/655623724.db2.gz RLMMARNYFMMVTO-SECBINFHSA-N 1 0 378.173 1.770 20 0 GDADRO CCO[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000852834940 655623886 /nfs/dbraw/zinc/62/38/86/655623886.db2.gz DYIAGEUPNLESJO-DGCLKSJQSA-N 1 0 380.388 1.416 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000852857820 655624154 /nfs/dbraw/zinc/62/41/54/655624154.db2.gz HGBXEXSGYINQFR-UHFFFAOYSA-N 1 0 385.917 1.934 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1(Br)Br ZINC000852881831 655625260 /nfs/dbraw/zinc/62/52/60/655625260.db2.gz QOXHHEBLFZJCJW-POYBYMJQSA-N 1 0 376.039 1.996 20 0 GDADRO COC(=O)NC1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000852923546 655628377 /nfs/dbraw/zinc/62/83/77/655628377.db2.gz CEEJVCOSYUDJDX-MRXNPFEDSA-N 1 0 384.274 1.970 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c(Br)cc1F ZINC000853083069 655632411 /nfs/dbraw/zinc/63/24/11/655632411.db2.gz QLPQXFYHQOROSG-CYBMUJFWSA-N 1 0 395.250 1.405 20 0 GDADRO O=C1O[C@@]2(CN1CN1CCn3ncc(Br)c3C1)C[NH+]1CCC2CC1 ZINC000853599672 655644774 /nfs/dbraw/zinc/64/47/74/655644774.db2.gz HFTSTTFUSZUSEG-MRXNPFEDSA-N 1 0 396.289 1.335 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000853676284 655647126 /nfs/dbraw/zinc/64/71/26/655647126.db2.gz AUVOHNAPDSCJPW-UHFFFAOYSA-N 1 0 395.305 1.457 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1c(Br)nc2n1CCCC2 ZINC000854353855 655663774 /nfs/dbraw/zinc/66/37/74/655663774.db2.gz HTHKSHZJTIVXQQ-LBPRGKRZSA-N 1 0 382.306 1.102 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1c(Br)nc2n1CCC2 ZINC000854642090 655673107 /nfs/dbraw/zinc/67/31/07/655673107.db2.gz IOQOERDAPAIRCS-VXGBXAGGSA-N 1 0 383.290 1.527 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3cn(C(C)(C)C)nc3Br)C2)CC1 ZINC000854643914 655673327 /nfs/dbraw/zinc/67/33/27/655673327.db2.gz AUWPRYGQAUHQOK-UHFFFAOYSA-N 1 0 398.349 1.720 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000854902297 655681008 /nfs/dbraw/zinc/68/10/08/655681008.db2.gz RGWAAFCEPBAGFM-UHFFFAOYSA-N 1 0 378.292 1.167 20 0 GDADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Br)n[nH]1 ZINC000855405032 655693226 /nfs/dbraw/zinc/69/32/26/655693226.db2.gz ZLRRSYAXBCQRQR-ZDUSSCGKSA-N 1 0 379.258 1.669 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000856745612 655716415 /nfs/dbraw/zinc/71/64/15/655716415.db2.gz VIAUUIFEHSWGJS-LSDHHAIUSA-N 1 0 375.535 1.647 20 0 GDADRO C[NH+]1CCC(CNC(=O)NCC[C@@H]2CC2(Cl)Cl)(N2CCOCC2)CC1 ZINC000856862813 655720729 /nfs/dbraw/zinc/72/07/29/655720729.db2.gz CCVGIVWLFGUJFS-CQSZACIVSA-N 1 0 393.359 1.666 20 0 GDADRO COCC[NH+]1CCC(OC(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000857035521 655726432 /nfs/dbraw/zinc/72/64/32/655726432.db2.gz HILIAMJXYGPCTC-UHFFFAOYSA-N 1 0 388.262 1.443 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)NCC[C@H](C)[NH3+])cc1Br ZINC000857109825 655728026 /nfs/dbraw/zinc/72/80/26/655728026.db2.gz OCFPQBJFVIJVBB-WCQYABFASA-N 1 0 388.306 1.645 20 0 GDADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000857256675 655732359 /nfs/dbraw/zinc/73/23/59/655732359.db2.gz LKPYSEMZAPQWHQ-VXGBXAGGSA-N 1 0 383.290 1.875 20 0 GDADRO Cn1cc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(Br)n1 ZINC000858163641 655745203 /nfs/dbraw/zinc/74/52/03/655745203.db2.gz JGSUBTSKRYIIAU-CMPLNLGQSA-N 1 0 379.324 1.380 20 0 GDADRO C[NH+]1CCN(CC2CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)CC1 ZINC000858610728 655750056 /nfs/dbraw/zinc/75/00/56/655750056.db2.gz IAKZYSFAFAIGAJ-UHFFFAOYSA-N 1 0 377.432 1.664 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000858609615 655750065 /nfs/dbraw/zinc/75/00/65/655750065.db2.gz VYQRAAFTOPANCL-QWRGUYRKSA-N 1 0 379.404 1.935 20 0 GDADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858609027 655750089 /nfs/dbraw/zinc/75/00/89/655750089.db2.gz RCIBYAAWBPSSTA-GFCCVEGCSA-N 1 0 379.404 1.950 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C2 ZINC000858617542 655750635 /nfs/dbraw/zinc/75/06/35/655750635.db2.gz ZCJRSXRGVIIUPT-QMTHXVAHSA-N 1 0 377.388 1.689 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)/C=C\c2cccc(Br)c2)CCOCC1 ZINC000858622467 655750843 /nfs/dbraw/zinc/75/08/43/655750843.db2.gz DUCNTHXHAZWGME-WTKPLQERSA-N 1 0 375.288 1.847 20 0 GDADRO C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[NH2+]1 ZINC000858631802 655751499 /nfs/dbraw/zinc/75/14/99/655751499.db2.gz IIANOLFZLFRMPC-ZJUUUORDSA-N 1 0 386.417 1.399 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000858632463 655751509 /nfs/dbraw/zinc/75/15/09/655751509.db2.gz UOAHITYNGDAVGO-GXSJLCMTSA-N 1 0 391.287 1.655 20 0 GDADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858873151 655754276 /nfs/dbraw/zinc/75/42/76/655754276.db2.gz QEXAAMXAOWHNDZ-UHFFFAOYSA-N 1 0 379.404 1.902 20 0 GDADRO O=C(Nc1cccnc1Br)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000859663818 655788601 /nfs/dbraw/zinc/78/86/01/655788601.db2.gz TYAFCFFAGJSXDI-UHFFFAOYSA-N 1 0 397.277 1.019 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1c(I)cnn1C ZINC000861037786 655812701 /nfs/dbraw/zinc/81/27/01/655812701.db2.gz JYAZRBQPRUYERE-JTQLQIEISA-N 1 0 393.225 1.292 20 0 GDADRO O=C(CSc1nnnn1CC(F)(F)F)OCC12CCC[NH+](CCC1)C2 ZINC000861359218 655820206 /nfs/dbraw/zinc/82/02/06/655820206.db2.gz YUBDBVOTFOPLAT-UHFFFAOYSA-N 1 0 379.408 1.747 20 0 GDADRO O=C(NCC(F)(F)Br)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000861502065 655823986 /nfs/dbraw/zinc/82/39/86/655823986.db2.gz GBGUMSLLFFWMFJ-UHFFFAOYSA-N 1 0 378.173 1.211 20 0 GDADRO Cc1cc(Cl)ncc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000861515839 655824247 /nfs/dbraw/zinc/82/42/47/655824247.db2.gz OQEMLYZPBPIUQW-ZJUUUORDSA-N 1 0 378.782 1.968 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000861516711 655824308 /nfs/dbraw/zinc/82/43/08/655824308.db2.gz NRNZVDVIEDFJHV-UHFFFAOYSA-N 1 0 395.257 1.288 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000861516113 655824311 /nfs/dbraw/zinc/82/43/11/655824311.db2.gz YTKFKZSAJQFBAM-DTWKUNHWSA-N 1 0 382.877 1.392 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000861530541 655824829 /nfs/dbraw/zinc/82/48/29/655824829.db2.gz BFZJMIGPKNEHHG-IYBDPMFKSA-N 1 0 381.274 1.549 20 0 GDADRO COC(=O)c1ccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)c(Br)c1 ZINC000861683802 655828364 /nfs/dbraw/zinc/82/83/64/655828364.db2.gz AXBXFAIFLZMCSE-GFCCVEGCSA-N 1 0 386.246 1.023 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000861741599 655829610 /nfs/dbraw/zinc/82/96/10/655829610.db2.gz SFSFMLYITNYJBX-NOZJJQNGSA-N 1 0 387.267 1.021 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCSC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000861762419 655830171 /nfs/dbraw/zinc/83/01/71/655830171.db2.gz JNPQERROHRNDGL-JGVFFNPUSA-N 1 0 381.342 1.341 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862369523 655845243 /nfs/dbraw/zinc/84/52/43/655845243.db2.gz VTEMBZHSBMECAZ-KKUMJFAQSA-N 1 0 376.519 1.425 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000862375139 655845280 /nfs/dbraw/zinc/84/52/80/655845280.db2.gz XSENNXUZXBXNFJ-OLZOCXBDSA-N 1 0 382.473 1.998 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(NC(=O)C(F)(F)F)cc3)C[C@H]21 ZINC000863450272 655873490 /nfs/dbraw/zinc/87/34/90/655873490.db2.gz FOZYNDLXZNEMPZ-ITGUQSILSA-N 1 0 377.388 1.368 20 0 GDADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(Br)n(C)n2)CC1 ZINC000863491014 655874395 /nfs/dbraw/zinc/87/43/95/655874395.db2.gz NYKKKFDPNDBVRR-UHFFFAOYSA-N 1 0 385.306 1.900 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000863565217 655875704 /nfs/dbraw/zinc/87/57/04/655875704.db2.gz CNHJMNPZYRKKHD-KBPBESRZSA-N 1 0 377.388 1.713 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000863565219 655875715 /nfs/dbraw/zinc/87/57/15/655875715.db2.gz CNHJMNPZYRKKHD-UONOGXRCSA-N 1 0 377.388 1.713 20 0 GDADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000863570769 655875933 /nfs/dbraw/zinc/87/59/33/655875933.db2.gz KFVJMXQSAPZMDB-LSDHHAIUSA-N 1 0 388.281 1.551 20 0 GDADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000863571297 655875991 /nfs/dbraw/zinc/87/59/91/655875991.db2.gz VCMUKNAHFNFNMX-FUHWJXTLSA-N 1 0 399.329 1.688 20 0 GDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000863579377 655876329 /nfs/dbraw/zinc/87/63/29/655876329.db2.gz CDTHBMDUZXMLSU-GVDBMIGSSA-N 1 0 394.313 1.473 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000863755174 655879853 /nfs/dbraw/zinc/87/98/53/655879853.db2.gz KOECWCVOIVNYDZ-OTYXRUKQSA-N 1 0 392.258 1.838 20 0 GDADRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(I)nn2C)CC1 ZINC000864693915 655904561 /nfs/dbraw/zinc/90/45/61/655904561.db2.gz RRPOJBNIQAKSTA-UHFFFAOYSA-N 1 0 390.269 1.970 20 0 GDADRO Cn1nc(I)cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000864933249 655908542 /nfs/dbraw/zinc/90/85/42/655908542.db2.gz FODLPNDTNBTQJP-UHFFFAOYSA-N 1 0 388.253 1.629 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H](O)c1cnc[nH]1 ZINC000865041187 655910575 /nfs/dbraw/zinc/91/05/75/655910575.db2.gz NRIWUZHIIRLZEZ-HNNXBMFYSA-N 1 0 381.274 1.796 20 0 GDADRO CC(=O)NCC1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000865433589 655919831 /nfs/dbraw/zinc/91/98/31/655919831.db2.gz VCJHCXYTDCCGRZ-UHFFFAOYSA-N 1 0 387.933 1.903 20 0 GDADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1)CC(F)(F)F ZINC000865618263 655923023 /nfs/dbraw/zinc/92/30/23/655923023.db2.gz WFHCMDNQQOZVJA-MNOVXSKESA-N 1 0 389.440 1.456 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(Br)cn2ccnc12 ZINC000865675667 655924091 /nfs/dbraw/zinc/92/40/91/655924091.db2.gz UXAWEOYALKPHLL-UHFFFAOYSA-N 1 0 394.317 1.806 20 0 GDADRO C[C@@H](O)[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000865739120 655925609 /nfs/dbraw/zinc/92/56/09/655925609.db2.gz SBBRKFDKGAMLSP-MLGOLLRUSA-N 1 0 393.311 1.536 20 0 GDADRO O=C1OC[C@]2(C[NH2+]Cc3cc(Br)cnc3Cl)COCCN12 ZINC000865771768 655926458 /nfs/dbraw/zinc/92/64/58/655926458.db2.gz ZPICKLQVHNYQJE-ZDUSSCGKSA-N 1 0 376.638 1.808 20 0 GDADRO CC(C)(C[NH2+]Cc1cc(Br)cc2c1OCC2)CS(N)(=O)=O ZINC000865813028 655927555 /nfs/dbraw/zinc/92/75/55/655927555.db2.gz CJAPLUUIGBMUHU-UHFFFAOYSA-N 1 0 377.304 1.788 20 0 GDADRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(Br)no3)cn2)CC1 ZINC000865897926 655929294 /nfs/dbraw/zinc/92/92/94/655929294.db2.gz GPOAEUOHBMSLKB-UHFFFAOYSA-N 1 0 380.246 1.514 20 0 GDADRO Cc1cc(N2CCN(c3ncc(I)cn3)CC2)nc(N)[nH+]1 ZINC000866022445 655933159 /nfs/dbraw/zinc/93/31/59/655933159.db2.gz YRZDYXQCUFGONK-UHFFFAOYSA-N 1 0 397.224 1.088 20 0 GDADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866443822 655943749 /nfs/dbraw/zinc/94/37/49/655943749.db2.gz VDSFDXISUJZTTD-JXFSHQFZSA-N 1 0 390.527 1.629 20 0 GDADRO C[C@@H](CNS(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)C[NH+]1CCCC1 ZINC000866542379 655948583 /nfs/dbraw/zinc/94/85/83/655948583.db2.gz HAJXZOYDKLZDER-NPMABZOXSA-N 1 0 377.507 1.849 20 0 GDADRO O=C1COC[C@@]2(C[NH2+][C@@H]3CCc4c3cccc4Br)COCCN12 ZINC000866553139 655949076 /nfs/dbraw/zinc/94/90/76/655949076.db2.gz LEULCRBGKSRXJA-NVXWUHKLSA-N 1 0 381.270 1.654 20 0 GDADRO O=C1N[C@@H]2CN(Cc3ncccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000866665558 655952845 /nfs/dbraw/zinc/95/28/45/655952845.db2.gz FIHSVFKPIVCNCN-CVEARBPZSA-N 1 0 394.317 1.564 20 0 GDADRO Cc1ccc(OS(=O)(=O)CCC[NH+](C)C)c(C(=O)N2CCSCC2)c1 ZINC000866687035 655954654 /nfs/dbraw/zinc/95/46/54/655954654.db2.gz AYGZJCHPGIOFPH-UHFFFAOYSA-N 1 0 386.539 1.844 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2ccc(F)c(Br)c2)C1 ZINC000866707867 655955579 /nfs/dbraw/zinc/95/55/79/655955579.db2.gz BTZUAVHERHQXET-DFBGVHRSSA-N 1 0 384.249 1.955 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2ccc(F)cc2Br)C1 ZINC000866708423 655955726 /nfs/dbraw/zinc/95/57/26/655955726.db2.gz MWGHBRDTWQDYBS-YUELXQCFSA-N 1 0 384.249 1.955 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CCO1 ZINC000866742682 655958191 /nfs/dbraw/zinc/95/81/91/655958191.db2.gz BZGUYBJTWCIZEX-JOYOIKCWSA-N 1 0 389.271 1.932 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(Br)n1 ZINC000866760604 655959796 /nfs/dbraw/zinc/95/97/96/655959796.db2.gz DNEGEFAMXCOQJM-NSHDSACASA-N 1 0 377.308 1.335 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000866761935 655959881 /nfs/dbraw/zinc/95/98/81/655959881.db2.gz CWDLIUPZRBXMBS-CQSZACIVSA-N 1 0 377.304 1.958 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000866761934 655959899 /nfs/dbraw/zinc/95/98/99/655959899.db2.gz CWDLIUPZRBXMBS-AWEZNQCLSA-N 1 0 377.304 1.958 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C(F)(F)F ZINC000866766309 655960677 /nfs/dbraw/zinc/96/06/77/655960677.db2.gz ODYXNLZQUZGTFG-VXGBXAGGSA-N 1 0 380.436 1.839 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000866770650 655961216 /nfs/dbraw/zinc/96/12/16/655961216.db2.gz AQNFNRSKQYOKAM-XMMPIXPASA-N 1 0 389.543 1.613 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866779837 655962745 /nfs/dbraw/zinc/96/27/45/655962745.db2.gz TYFNTYYUTOAKGC-UHFFFAOYSA-N 1 0 383.392 1.044 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NC[C@H]3CCC(C)(C)C[NH2+]3)cc2C1 ZINC000866785283 655963364 /nfs/dbraw/zinc/96/33/64/655963364.db2.gz UXXWKBCCUWMZDH-CQSZACIVSA-N 1 0 385.555 1.709 20 0 GDADRO COC(=O)c1sc(C)cc1OS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866785738 655963390 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GDADRO C[C@@H](CNS(=O)(=O)c1ccc2ccnc(Cl)c2c1)N1CC[NH+](C)CC1 ZINC000866857666 655970842 /nfs/dbraw/zinc/97/08/42/655970842.db2.gz NNOPWYKWIIGZIX-ZDUSSCGKSA-N 1 0 382.917 1.802 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1Br ZINC000866902987 655975451 /nfs/dbraw/zinc/97/54/51/655975451.db2.gz HTKSYWXAWKQQSY-LBPRGKRZSA-N 1 0 391.335 1.535 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(Br)n1 ZINC000866971799 655983196 /nfs/dbraw/zinc/98/31/96/655983196.db2.gz IRNCHTAGHNCZJE-MNOVXSKESA-N 1 0 377.308 1.287 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000866981650 655983771 /nfs/dbraw/zinc/98/37/71/655983771.db2.gz FFMNZGYQUYELAX-CABCVRRESA-N 1 0 381.564 1.097 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000867093234 655994496 /nfs/dbraw/zinc/99/44/96/655994496.db2.gz NRPWTGNIOFEWDX-KRWDZBQOSA-N 1 0 377.551 1.895 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000867121120 655998297 /nfs/dbraw/zinc/99/82/97/655998297.db2.gz LBUGQHBKUMUGDS-LBPRGKRZSA-N 1 0 386.905 1.786 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2nc[nH]c2Br)C[C@@H]1[NH+]1CCCC1 ZINC000867125394 655999165 /nfs/dbraw/zinc/99/91/65/655999165.db2.gz VEKSLXSFLAJLQV-VHSXEESVSA-N 1 0 395.348 1.373 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000867220427 656015907 /nfs/dbraw/zinc/01/59/07/656015907.db2.gz MSZLTQLYVFNSNA-OAHLLOKOSA-N 1 0 375.535 1.599 20 0 GDADRO CSC1(CNS(=O)(=O)c2cn(C)nc2Br)CC[NH+](C)CC1 ZINC000867280261 656029960 /nfs/dbraw/zinc/02/99/60/656029960.db2.gz PIEMBDWYHVXDIS-UHFFFAOYSA-N 1 0 397.364 1.288 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccccc3NC(=O)C(F)(F)F)[C@@H]2C1 ZINC000867297974 656033198 /nfs/dbraw/zinc/03/31/98/656033198.db2.gz IZBYSKXGAUAMNB-ZYHUDNBSSA-N 1 0 377.388 1.512 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000867309478 656035614 /nfs/dbraw/zinc/03/56/14/656035614.db2.gz SDFRIPVWHVUJBH-GXFFZTMASA-N 1 0 379.404 1.901 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000867400205 656052753 /nfs/dbraw/zinc/05/27/53/656052753.db2.gz VXJHZQKNOSRJCP-UHFFFAOYSA-N 1 0 393.307 1.048 20 0 GDADRO O=S(=O)(c1ccc(Br)o1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000867399844 656052768 /nfs/dbraw/zinc/05/27/68/656052768.db2.gz LUHSURBOSMARCC-UHFFFAOYSA-N 1 0 393.303 1.918 20 0 GDADRO C[NH+](C)C1CCC(NS(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000867421172 656057546 /nfs/dbraw/zinc/05/75/46/656057546.db2.gz PXFKASCJMBXFSD-WVPYVGAHSA-N 1 0 377.507 1.990 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000867428998 656059396 /nfs/dbraw/zinc/05/93/96/656059396.db2.gz SYPIMAGNDFFVOB-AWEZNQCLSA-N 1 0 381.274 1.157 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000867581479 656088050 /nfs/dbraw/zinc/08/80/50/656088050.db2.gz LZMOUADHDQRJIP-UHFFFAOYSA-N 1 0 379.885 1.853 20 0 GDADRO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CCC1(C)C ZINC000867681831 656102047 /nfs/dbraw/zinc/10/20/47/656102047.db2.gz OKNBFUYSLOTBSN-UHFFFAOYSA-N 1 0 384.893 1.625 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000867681969 656102108 /nfs/dbraw/zinc/10/21/08/656102108.db2.gz UNNGVMFGMRKECF-UHFFFAOYSA-N 1 0 389.543 1.042 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC000867704516 656104314 /nfs/dbraw/zinc/10/43/14/656104314.db2.gz NTVAFABJMNMHCT-UHFFFAOYSA-N 1 0 375.922 1.445 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867800172 656118185 /nfs/dbraw/zinc/11/81/85/656118185.db2.gz VPFDUVVYGQEJOD-ZBFHGGJFSA-N 1 0 394.313 1.926 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)C[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000867816921 656121040 /nfs/dbraw/zinc/12/10/40/656121040.db2.gz OXPWNHPURFYCPN-OAHLLOKOSA-N 1 0 379.517 1.854 20 0 GDADRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)CCCN1CCOCC1 ZINC000867865329 656127223 /nfs/dbraw/zinc/12/72/23/656127223.db2.gz YNTXTOUJIAWIGZ-UHFFFAOYSA-N 1 0 375.579 1.338 20 0 GDADRO CC(C)n1ncc(C(=O)NC2(C)CC[NH2+]CC2)c1I ZINC000867972217 656136371 /nfs/dbraw/zinc/13/63/71/656136371.db2.gz VFCMEPKQSXEEGD-UHFFFAOYSA-N 1 0 376.242 1.941 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)ccc1Cl ZINC000868030576 656138222 /nfs/dbraw/zinc/13/82/22/656138222.db2.gz PGJLZDTXMGTRKZ-UKRRQHHQSA-N 1 0 385.917 1.804 20 0 GDADRO C[C@H]([NH3+])c1ccc(C(=O)NCc2c(I)cnn2C)cc1 ZINC000868052269 656138673 /nfs/dbraw/zinc/13/86/73/656138673.db2.gz OGXNZKNYUBYYGN-VIFPVBQESA-N 1 0 384.221 1.974 20 0 GDADRO C[C@]1([NH3+])CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000868071864 656139418 /nfs/dbraw/zinc/13/94/18/656139418.db2.gz FJZSLHIIKIAMLL-INIZCTEOSA-N 1 0 380.242 1.385 20 0 GDADRO C[C@@]1([NH3+])CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000868071633 656139438 /nfs/dbraw/zinc/13/94/38/656139438.db2.gz WOZYXEURADAWPM-CQSZACIVSA-N 1 0 375.288 1.314 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@](C)([NH3+])C2)cc1Br ZINC000868075978 656139638 /nfs/dbraw/zinc/13/96/38/656139638.db2.gz SIOJTEGLTGIIBE-CQSZACIVSA-N 1 0 390.303 1.263 20 0 GDADRO COc1cc(I)c(C(=O)N2CC[C@@](C)([NH3+])C2)cc1OC ZINC000868075473 656139639 /nfs/dbraw/zinc/13/96/39/656139639.db2.gz JLVYXRSATYRMKL-CQSZACIVSA-N 1 0 390.221 1.872 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[C@](C)([NH3+])C1 ZINC000868078527 656139888 /nfs/dbraw/zinc/13/98/88/656139888.db2.gz MNSLDEAUHQQJQZ-ABAIWWIYSA-N 1 0 389.315 1.809 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N1CCC([NH2+]CCO)CC1 ZINC000868093094 656140655 /nfs/dbraw/zinc/14/06/55/656140655.db2.gz FMXRARXQLYJBTM-UHFFFAOYSA-N 1 0 377.413 1.261 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000868113134 656141198 /nfs/dbraw/zinc/14/11/98/656141198.db2.gz QEQGKUKHXLHGPB-UHFFFAOYSA-N 1 0 376.567 1.468 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000868267722 656147420 /nfs/dbraw/zinc/14/74/20/656147420.db2.gz NMUQSOKEUPRPNN-NSHDSACASA-N 1 0 383.290 1.985 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1Br ZINC000868303532 656149796 /nfs/dbraw/zinc/14/97/96/656149796.db2.gz DVCGPFBCEYRZHS-KLPPZKSPSA-N 1 0 383.290 1.303 20 0 GDADRO Cn1ncc(I)c1CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000868365876 656152065 /nfs/dbraw/zinc/15/20/65/656152065.db2.gz JQHMUKVJWSGXGV-SECBINFHSA-N 1 0 389.241 1.061 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)NCc2c(I)cnn2C)CC[N@@H+]1C ZINC000868373947 656152587 /nfs/dbraw/zinc/15/25/87/656152587.db2.gz LWAAKQMKSAVLLW-ZJUUUORDSA-N 1 0 391.257 1.307 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000868400987 656154187 /nfs/dbraw/zinc/15/41/87/656154187.db2.gz ORNYUFWXIXLCLZ-ZNMIVQPWSA-N 1 0 396.285 1.216 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Br)cn2ccnc12 ZINC000868628695 656163446 /nfs/dbraw/zinc/16/34/46/656163446.db2.gz DDCAQEARNNCDFB-ZDUSSCGKSA-N 1 0 381.274 1.673 20 0 GDADRO Cn1nc(I)cc1C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000868803793 656169783 /nfs/dbraw/zinc/16/97/83/656169783.db2.gz 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CC[NH+](CC)[C@H](CNS(=O)(=O)N=[S@](C)(=O)N(C)C)c1ccccc1 ZINC000881758662 656951791 /nfs/dbraw/zinc/95/17/91/656951791.db2.gz QNTUSWSXTHXZSI-CMJOXMDJSA-N 1 0 376.548 1.478 20 0 GDADRO CCC[NH+]1CCC(NS(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)CC1 ZINC000881760125 656951859 /nfs/dbraw/zinc/95/18/59/656951859.db2.gz AOCSOOJYZRCABR-XMMPIXPASA-N 1 0 388.559 1.699 20 0 GDADRO CN(C)[S@](C)(=O)=NS(=O)(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000881817313 656965834 /nfs/dbraw/zinc/96/58/34/656965834.db2.gz NPSRGIBAQUMMRM-XMMPIXPASA-N 1 0 390.575 1.302 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2(n3cc(Br)cn3)CC2)C1 ZINC000929470964 656968725 /nfs/dbraw/zinc/96/87/25/656968725.db2.gz GNSBGIJHXIABNI-CQSZACIVSA-N 1 0 385.306 1.608 20 0 GDADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000929482548 656969036 /nfs/dbraw/zinc/96/90/36/656969036.db2.gz ZMQZYIZFKKYIFH-UKRRQHHQSA-N 1 0 375.535 1.646 20 0 GDADRO CN(C)[S@@](=O)(=NS(=O)(=O)N(C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000881863300 656975243 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CC(C)c1ncc(Br)c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)n1 ZINC000935913608 657519207 /nfs/dbraw/zinc/51/92/07/657519207.db2.gz BKYRDRGTVYLIDI-LBPRGKRZSA-N 1 0 385.306 1.939 20 0 GDADRO C[NH+](C)C[C@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)c1ccc(Cl)cc1 ZINC000935950386 657527800 /nfs/dbraw/zinc/52/78/00/657527800.db2.gz NFHUULWQACDDOG-WMLDXEAASA-N 1 0 387.933 1.573 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc2c(Br)cnn2c1 ZINC000936009462 657540908 /nfs/dbraw/zinc/54/09/08/657540908.db2.gz JBFAQTBIOWOPLD-UHFFFAOYSA-N 1 0 382.306 1.710 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccsc3Cl)[C@@H](O)C2)CC[N@@H+]1C ZINC000963048347 657577274 /nfs/dbraw/zinc/57/72/74/657577274.db2.gz HSLXCIJCOGPBNI-ASEORRQLSA-N 1 0 385.917 1.433 20 0 GDADRO COc1ccc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)cc1Br ZINC000886322286 657643056 /nfs/dbraw/zinc/64/30/56/657643056.db2.gz WGKOWJKEUUKRKR-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO Cc1sc(Cl)nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000998879106 657656373 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CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 ZINC000886890886 657719903 /nfs/dbraw/zinc/71/99/03/657719903.db2.gz XLFJELQFMKCLLI-SNVBAGLBSA-N 1 0 391.287 1.608 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000886892054 657720307 /nfs/dbraw/zinc/72/03/07/657720307.db2.gz OTVZNUOHKVSEQH-VIFPVBQESA-N 1 0 381.267 1.969 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 ZINC000886891788 657720411 /nfs/dbraw/zinc/72/04/11/657720411.db2.gz HAUXJOWCQLNBEG-LBPRGKRZSA-N 1 0 393.506 1.348 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc(F)c1F ZINC000886896802 657723405 /nfs/dbraw/zinc/72/34/05/657723405.db2.gz VCRGGHNMWNSDLZ-QMMMGPOBSA-N 1 0 384.351 1.275 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c(OC)c1 ZINC000886898350 657724846 /nfs/dbraw/zinc/72/48/46/657724846.db2.gz YQYONGNFZRVIHJ-LLVKDONJSA-N 1 0 378.397 1.005 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c(Br)n1 ZINC000886901301 657726115 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C[NH+]1CCC2(CC1)CC(=O)NN(c1ccccc1I)C2=O ZINC000887291373 657773233 /nfs/dbraw/zinc/77/32/33/657773233.db2.gz XNNADBQRWQOGSA-UHFFFAOYSA-N 1 0 399.232 1.771 20 0 GDADRO C[C@H]1C[C@H](n2cc(CN3CCC[C@H]([NH3+])C3)nn2)c2ccsc2S1(=O)=O ZINC000887419728 657780863 /nfs/dbraw/zinc/78/08/63/657780863.db2.gz YVYRZYZBHFFXTQ-HUBLWGQQSA-N 1 0 381.527 1.418 20 0 GDADRO CN1CCN(C(=O)c2cc(Br)c3nccnc3c2)CC[N@H+](C)CC1 ZINC000888976526 657962004 /nfs/dbraw/zinc/96/20/04/657962004.db2.gz TWYHRHFKKMJLRC-UHFFFAOYSA-N 1 0 392.301 1.712 20 0 GDADRO CN1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)CC[N@H+](C)CC1 ZINC000888979088 657962752 /nfs/dbraw/zinc/96/27/52/657962752.db2.gz GIAUVEAFAFYKEF-UHFFFAOYSA-N 1 0 378.464 1.886 20 0 GDADRO NS(=O)(=O)c1sc(Cl)cc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889826360 658060301 /nfs/dbraw/zinc/06/03/01/658060301.db2.gz OXUAJVACAAOJCY-UHFFFAOYSA-N 1 0 377.919 1.796 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)NCC[N@@H+]2CCC(C)(C)C2)cs1)C(N)=O ZINC000890066706 658077925 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C[NH+](C)C[C@H](O)CNc1ncnc2c1cnn2-c1cccc(Br)c1 ZINC000891744791 658268554 /nfs/dbraw/zinc/26/85/54/658268554.db2.gz AQYRIRMQSKIBCB-CYBMUJFWSA-N 1 0 391.273 1.912 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2ncc(Br)cn2)C[C@@H](C)O1 ZINC000891727121 658268581 /nfs/dbraw/zinc/26/85/81/658268581.db2.gz FCZYIEQBQZFALA-VXGBXAGGSA-N 1 0 386.294 1.538 20 0 GDADRO CS(=O)(=O)c1cccc(CNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000891936838 658285680 /nfs/dbraw/zinc/28/56/80/658285680.db2.gz XRXNSTSOYOCYRQ-WCQYABFASA-N 1 0 379.404 1.369 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000892113663 658297600 /nfs/dbraw/zinc/29/76/00/658297600.db2.gz PSMXLSLJRFQMLZ-AWEZNQCLSA-N 1 0 378.274 1.869 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000892138905 658298331 /nfs/dbraw/zinc/29/83/31/658298331.db2.gz GWEFJFXQDHFQQH-ZDUSSCGKSA-N 1 0 397.317 1.930 20 0 GDADRO C[N@H+](CCO)CCNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000892219906 658311132 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O=C(N[C@H]1COc2cc(F)c(Br)cc21)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897671620 658878892 /nfs/dbraw/zinc/87/88/92/658878892.db2.gz HNXWHUMXURBMAT-YGRLFVJLSA-N 1 0 385.233 1.859 20 0 GDADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2nc(Br)nn2C)CCOCC1 ZINC000897741797 658885621 /nfs/dbraw/zinc/88/56/21/658885621.db2.gz VKRJXRXHCPYIHY-JTQLQIEISA-N 1 0 375.267 1.416 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000897865212 658896673 /nfs/dbraw/zinc/89/66/73/658896673.db2.gz XOEQASNCVWYDKZ-VIFPVBQESA-N 1 0 388.253 1.879 20 0 GDADRO O=c1ccn(CCC[NH2+]Cc2ccccc2I)c(=O)[nH]1 ZINC000898335701 658927593 /nfs/dbraw/zinc/92/75/93/658927593.db2.gz ZADMGSHTSPGIKW-UHFFFAOYSA-N 1 0 385.205 1.733 20 0 GDADRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)C1 ZINC000898355501 658928473 /nfs/dbraw/zinc/92/84/73/658928473.db2.gz BBTKABAYHMAADY-FZMZJTMJSA-N 1 0 397.273 1.636 20 0 GDADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2nc3ncc(Br)cn3n2)C12CCC2 ZINC000898842702 658961601 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C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000900485087 659113464 /nfs/dbraw/zinc/11/34/64/659113464.db2.gz TWWHUIPMKZIQBY-VMGRFDJRSA-N 1 0 383.286 1.804 20 0 GDADRO C[NH+]1CCC(CNC(=O)Cn2nc(Br)c(Br)n2)CC1 ZINC000900486099 659113494 /nfs/dbraw/zinc/11/34/94/659113494.db2.gz XVNUZRFZABHFJN-UHFFFAOYSA-N 1 0 395.099 1.261 20 0 GDADRO CCN1CC[NH+](CCCCNC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000900688239 659136808 /nfs/dbraw/zinc/13/68/08/659136808.db2.gz FGIBKWBOOBVVGA-UHFFFAOYSA-N 1 0 398.349 1.739 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)Cn2nc(Br)c(Br)n2)C1 ZINC000900708180 659140196 /nfs/dbraw/zinc/14/01/96/659140196.db2.gz AUZPUZQSTNBKSB-QMMMGPOBSA-N 1 0 395.099 1.213 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(C)cc2I)C[C@H]1C ZINC000900802473 659146842 /nfs/dbraw/zinc/14/68/42/659146842.db2.gz VDPZDEFOXFIUDM-GHMZBOCLSA-N 1 0 390.269 1.970 20 0 GDADRO O=C([C@@H](O)c1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000900937459 659172205 /nfs/dbraw/zinc/17/22/05/659172205.db2.gz ZEOALGNYUGGYMB-INIZCTEOSA-N 1 0 383.286 1.806 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000901298679 659208501 /nfs/dbraw/zinc/20/85/01/659208501.db2.gz LJNYCNOAZHHEJT-CQSZACIVSA-N 1 0 381.274 1.671 20 0 GDADRO CC[NH+]1CCC(NC(=O)Cn2c(=O)cc3ccc(Br)cn32)CC1 ZINC000902404381 659254019 /nfs/dbraw/zinc/25/40/19/659254019.db2.gz IMAZVJDWCCFJPU-UHFFFAOYSA-N 1 0 381.274 1.464 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)CN2c3cccc(Cl)c3CS2(=O)=O)CC1 ZINC000902463733 659256920 /nfs/dbraw/zinc/25/69/20/659256920.db2.gz BYCQJFJLLGJCTE-UHFFFAOYSA-N 1 0 385.917 1.979 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(Cn3nnn(-c4ccc(Br)cc4)c3=O)C[C@]2(C)C1 ZINC000902617405 659267808 /nfs/dbraw/zinc/26/78/08/659267808.db2.gz QXMJBNQSLUDGNJ-WBMJQRKESA-N 1 0 393.289 1.033 20 0 GDADRO COc1ccc(C[C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1OC ZINC000903230111 659308331 /nfs/dbraw/zinc/30/83/31/659308331.db2.gz VSGDUCGQDIUQEU-LBPRGKRZSA-N 1 0 378.516 1.282 20 0 GDADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(I)s2)C1 ZINC000903497958 659318947 /nfs/dbraw/zinc/31/89/47/659318947.db2.gz VGCRXAPDDPYBSK-SNVBAGLBSA-N 1 0 386.280 1.712 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000903503214 659319457 /nfs/dbraw/zinc/31/94/57/659319457.db2.gz AMIORWHJDOLVHB-LLVKDONJSA-N 1 0 398.291 1.869 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903514929 659323819 /nfs/dbraw/zinc/32/38/19/659323819.db2.gz IOOQISPGAUCDRI-RKDXNWHRSA-N 1 0 398.291 1.868 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903517147 659324929 /nfs/dbraw/zinc/32/49/29/659324929.db2.gz BQVYWLZQEQVALS-JOYOIKCWSA-N 1 0 391.287 1.595 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2ccc(I)s2)C[C@H]1[NH3+] ZINC000903519382 659326957 /nfs/dbraw/zinc/32/69/57/659326957.db2.gz CXMUOZFYPZDMPK-SSDOTTSWSA-N 1 0 386.280 1.711 20 0 GDADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903525700 659329966 /nfs/dbraw/zinc/32/99/66/659329966.db2.gz PJFSJJZLFQWDGB-CZMCAQCFSA-N 1 0 377.260 1.335 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903530382 659331236 /nfs/dbraw/zinc/33/12/36/659331236.db2.gz ZQLSAQMIVRCNBB-BXKDBHETSA-N 1 0 391.287 1.512 20 0 GDADRO CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903535862 659332444 /nfs/dbraw/zinc/33/24/44/659332444.db2.gz YEENXLBMTOSXKC-OLZOCXBDSA-N 1 0 379.404 1.240 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCCN2S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000903537545 659332817 /nfs/dbraw/zinc/33/28/17/659332817.db2.gz WIQXANMITCSSNT-RISCZKNCSA-N 1 0 379.404 1.915 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000903539052 659333255 /nfs/dbraw/zinc/33/32/55/659333255.db2.gz IVFTZSWYDGSNAE-PWSUYJOCSA-N 1 0 379.404 1.113 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)ccc1Br ZINC000903539365 659333281 /nfs/dbraw/zinc/33/32/81/659333281.db2.gz MKHOJHSVGKJGCO-ZJUUUORDSA-N 1 0 391.287 1.370 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c1 ZINC000903543272 659335216 /nfs/dbraw/zinc/33/52/16/659335216.db2.gz VUGZNGXKNCVCIL-UHFFFAOYSA-N 1 0 376.862 1.255 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000903548628 659337123 /nfs/dbraw/zinc/33/71/23/659337123.db2.gz LQZDLBQXJFDLGC-GHMZBOCLSA-N 1 0 382.454 1.207 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903554336 659339287 /nfs/dbraw/zinc/33/92/87/659339287.db2.gz QGTRRYKTAGFRAW-CQSZACIVSA-N 1 0 375.878 1.583 20 0 GDADRO O=S(=O)(NCCCCCC1CC[NH2+]CC1)N1CCC2(CC1)OCCO2 ZINC000903562070 659341460 /nfs/dbraw/zinc/34/14/60/659341460.db2.gz WPYNTPBJUWUDPN-UHFFFAOYSA-N 1 0 375.535 1.220 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1F ZINC000903563210 659342051 /nfs/dbraw/zinc/34/20/51/659342051.db2.gz UJCFRVMQWKEQDB-FKTZTGRPSA-N 1 0 379.251 1.768 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(F)c1 ZINC000903573261 659345451 /nfs/dbraw/zinc/34/54/51/659345451.db2.gz UEABUMJNDXSDGL-MWLCHTKSSA-N 1 0 384.351 1.513 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1C ZINC000903578261 659349128 /nfs/dbraw/zinc/34/91/28/659349128.db2.gz DSXDMLJRPGPUCL-STQMWFEESA-N 1 0 380.388 1.682 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC[C@@H]1C(F)(F)F ZINC000903578276 659349205 /nfs/dbraw/zinc/34/92/05/659349205.db2.gz FBCGMRAZDQKXGK-IUCAKERBSA-N 1 0 382.795 1.888 20 0 GDADRO COc1cc(C)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1OC ZINC000903578204 659349281 /nfs/dbraw/zinc/34/92/81/659349281.db2.gz CXGPFNJPFXYZTM-QWRGUYRKSA-N 1 0 382.404 1.912 20 0 GDADRO CC(=O)Nc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1C ZINC000903578467 659349560 /nfs/dbraw/zinc/34/95/60/659349560.db2.gz IAMGGNAFISZGQQ-CHWSQXEVSA-N 1 0 379.404 1.854 20 0 GDADRO COC(=O)c1cc(C)ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903579765 659350394 /nfs/dbraw/zinc/35/03/94/659350394.db2.gz QJAMATDTYSSXKV-NWDGAFQWSA-N 1 0 380.388 1.682 20 0 GDADRO COC(=O)c1cc(F)ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903580038 659350779 /nfs/dbraw/zinc/35/07/79/659350779.db2.gz RUUUOXSQEPCEMF-MNOVXSKESA-N 1 0 384.351 1.513 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c1OC ZINC000903584208 659353182 /nfs/dbraw/zinc/35/31/82/659353182.db2.gz IZPFHYJKMAEHLY-QLJPJBMISA-N 1 0 388.873 1.637 20 0 GDADRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000903588287 659355401 /nfs/dbraw/zinc/35/54/01/659355401.db2.gz HYELUOXQFPWCOH-QMMMGPOBSA-N 1 0 378.351 1.894 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])ccc1Cl ZINC000903590422 659356409 /nfs/dbraw/zinc/35/64/09/659356409.db2.gz WEDUDNCOLPMLHI-IINYFYTJSA-N 1 0 378.903 1.245 20 0 GDADRO CN(C[C@H](O)c1ccccc1Br)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903792339 659380687 /nfs/dbraw/zinc/38/06/87/659380687.db2.gz PXXRKZWANIMTAI-UONOGXRCSA-N 1 0 398.301 1.137 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C[C@@H]1[NH3+] ZINC000903800433 659381373 /nfs/dbraw/zinc/38/13/73/659381373.db2.gz IUSUXKNZUIFDME-KGLIPLIRSA-N 1 0 395.301 1.703 20 0 GDADRO FC(F)(F)c1nc(Br)c2n1CCN(CCN1CC[NH2+]CC1)C2 ZINC000903831573 659382961 /nfs/dbraw/zinc/38/29/61/659382961.db2.gz JXQVGSDBNBAXOM-UHFFFAOYSA-N 1 0 382.228 1.385 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000903969305 659390870 /nfs/dbraw/zinc/39/08/70/659390870.db2.gz WIZQAJGMZPHWDN-CQSZACIVSA-N 1 0 389.315 1.250 20 0 GDADRO Cc1cc(Cl)ccc1Cc1noc(C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@@H]32)n1 ZINC000904111399 659395596 /nfs/dbraw/zinc/39/55/96/659395596.db2.gz CGDXSLRGRNHDAE-YUELXQCFSA-N 1 0 381.885 1.797 20 0 GDADRO CO[C@@H](C[NH3+])c1nc(COc2ccc(I)cc2)no1 ZINC000904117455 659396028 /nfs/dbraw/zinc/39/60/28/659396028.db2.gz ZRCOEBLAHXQZED-JTQLQIEISA-N 1 0 375.166 1.899 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000904349762 659399217 /nfs/dbraw/zinc/39/92/17/659399217.db2.gz BCIPDZPFPSLWMT-LBPRGKRZSA-N 1 0 390.893 1.554 20 0 GDADRO CN(C(=O)Nc1ccncc1I)C1(C[NH3+])CCOCC1 ZINC000904409407 659400237 /nfs/dbraw/zinc/40/02/37/659400237.db2.gz BHRAROQUUFQEPY-UHFFFAOYSA-N 1 0 390.225 1.080 20 0 GDADRO C[C@](O)(C[NH2+]CCS(=O)(=O)NCc1ccccc1)C(F)(F)C(F)(F)F ZINC000905046226 659418668 /nfs/dbraw/zinc/41/86/68/659418668.db2.gz OVLUMURTPHDRBL-LBPRGKRZSA-N 1 0 390.374 1.644 20 0 GDADRO O[C@@H](C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)C1(O)CCOCC1 ZINC000905136643 659426199 /nfs/dbraw/zinc/42/61/99/659426199.db2.gz ZZMIMVIWJHTZER-LBPRGKRZSA-N 1 0 384.782 1.625 20 0 GDADRO O[C@@H](C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)C[C@]1(O)CCOC1 ZINC000905132991 659426242 /nfs/dbraw/zinc/42/62/42/659426242.db2.gz OMCPCPGMHYGSCM-BXUZGUMPSA-N 1 0 384.782 1.625 20 0 GDADRO C[C@](O)(C[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(F)F ZINC000905192563 659431327 /nfs/dbraw/zinc/43/13/27/659431327.db2.gz VPCRVQSATRKDCF-LBPRGKRZSA-N 1 0 377.331 1.965 20 0 GDADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)C3(O)CCOCC3)nc12 ZINC000905208535 659432969 /nfs/dbraw/zinc/43/29/69/659432969.db2.gz LQUOMCOXXGRHIH-OAHLLOKOSA-N 1 0 398.301 1.440 20 0 GDADRO C[C@@H](C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1nccs1 ZINC000905210433 659433442 /nfs/dbraw/zinc/43/34/42/659433442.db2.gz VCQURYQBONZXHB-STQMWFEESA-N 1 0 375.560 1.838 20 0 GDADRO CC[C@@](O)(C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)C(F)(F)F ZINC000905246898 659436470 /nfs/dbraw/zinc/43/64/70/659436470.db2.gz KAFKBMSJJMZJST-GFCCVEGCSA-N 1 0 376.347 1.536 20 0 GDADRO O[C@H](C[NH2+][C@@H]1COc2cc(F)c(Br)cc21)C[C@@]1(O)CCOC1 ZINC000905247566 659436970 /nfs/dbraw/zinc/43/69/70/659436970.db2.gz OYRYVUQMWXTSHC-RJIBLYRGSA-N 1 0 376.222 1.514 20 0 GDADRO CC(C)(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1COCC12OCCO2 ZINC000905283084 659439478 /nfs/dbraw/zinc/43/94/78/659439478.db2.gz CXURGAUBWYQDNM-JQWIXIFHSA-N 1 0 377.350 1.940 20 0 GDADRO O=C1COC[C@@]2(C[NH2+]C[C@@H](O)c3ccc(Cl)c(Cl)c3)COCCN12 ZINC000905407593 659451324 /nfs/dbraw/zinc/45/13/24/659451324.db2.gz DMZGOHAPGJGLQE-GDBMZVCRSA-N 1 0 375.252 1.244 20 0 GDADRO COC(=O)[C@@H]1C[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000905492736 659458731 /nfs/dbraw/zinc/45/87/31/659458731.db2.gz PXZKMJQVOIIIST-ZWNOBZJWSA-N 1 0 376.272 1.622 20 0 GDADRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1cn(C)nc1Br ZINC000905520552 659461078 /nfs/dbraw/zinc/46/10/78/659461078.db2.gz IXSUDXCCFHXDCF-CQSZACIVSA-N 1 0 384.274 1.859 20 0 GDADRO O[C@H](C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)COc1cc(F)cc(Br)c1 ZINC000905573256 659466300 /nfs/dbraw/zinc/46/63/00/659466300.db2.gz UBLFXBBHRGFOTO-NMFKLSHFSA-N 1 0 390.249 1.721 20 0 GDADRO CCO[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)CN(C)C ZINC000905580924 659466725 /nfs/dbraw/zinc/46/67/25/659466725.db2.gz QOJCRHMVCMUUHA-AWEZNQCLSA-N 1 0 393.347 1.779 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000905668744 659473819 /nfs/dbraw/zinc/47/38/19/659473819.db2.gz XGGWTKJWHKVOIV-RRFJBIMHSA-N 1 0 386.539 1.489 20 0 GDADRO O[C@]1(CNCc2ncc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000905670094 659474233 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C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(F)(F)c1ncccc1Br ZINC000906601512 659559607 /nfs/dbraw/zinc/55/96/07/659559607.db2.gz GZVTZQYLHUHLBU-NSHDSACASA-N 1 0 391.260 1.688 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(F)(F)c1ncccc1Br ZINC000906642895 659564416 /nfs/dbraw/zinc/56/44/16/659564416.db2.gz VHEBELWVERWJTC-JTQLQIEISA-N 1 0 377.233 1.298 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)c1Br ZINC000906704158 659573556 /nfs/dbraw/zinc/57/35/56/659573556.db2.gz FSRWSNSRWHNOIT-LLVKDONJSA-N 1 0 398.257 1.288 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000906704730 659573965 /nfs/dbraw/zinc/57/39/65/659573965.db2.gz ADZAAULYIDKVAW-ZDUSSCGKSA-N 1 0 398.257 1.273 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906725460 659576211 /nfs/dbraw/zinc/57/62/11/659576211.db2.gz ZFFZIXLVZDEOIK-NTZNESFSSA-N 1 0 382.258 1.795 20 0 GDADRO O=C(Nc1ccnn1Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906733219 659577675 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C[C@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000911187699 659997916 /nfs/dbraw/zinc/99/79/16/659997916.db2.gz OVNJQUGBXIEDBF-GFCCVEGCSA-N 1 0 387.311 1.235 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)Oc1cccc(Br)c1 ZINC000911211578 659998902 /nfs/dbraw/zinc/99/89/02/659998902.db2.gz ZGBQMSWLVXKAIC-UPJWGTAASA-N 1 0 398.301 1.304 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911257002 660000694 /nfs/dbraw/zinc/00/06/94/660000694.db2.gz YVMXTUFXJOTLID-UTUOFQBUSA-N 1 0 398.301 1.607 20 0 GDADRO CCSc1cc(CNC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccn1 ZINC000911259610 660000769 /nfs/dbraw/zinc/00/07/69/660000769.db2.gz YPTZKQGTXFTPTG-GHMZBOCLSA-N 1 0 376.404 1.158 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911282712 660001724 /nfs/dbraw/zinc/00/17/24/660001724.db2.gz SONYXFXGHKNMOO-UONOGXRCSA-N 1 0 381.274 1.376 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)CC2 ZINC000911283884 660001857 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385.468 1.813 20 0 GDADRO Fc1cccc(-c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164744192 720775963 /nfs/dbraw/zinc/77/59/63/720775963.db2.gz RLQJKAWQZNDIER-IRXDYDNUSA-N 1 0 393.426 1.810 20 0 GDADRO c1cc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)ccn1 ZINC001164739480 720782103 /nfs/dbraw/zinc/78/21/03/720782103.db2.gz IXJYEZQWYMLFQO-DLBZAZTESA-N 1 0 375.436 1.671 20 0 GDADRO COc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2c1ccn2C ZINC001164742716 720802095 /nfs/dbraw/zinc/80/20/95/720802095.db2.gz DCLJKTPAQUFRAV-UONOGXRCSA-N 1 0 381.440 1.109 20 0 GDADRO CN(C)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164740720 720810089 /nfs/dbraw/zinc/81/00/89/720810089.db2.gz AGGAOVFEVXITIU-FGTMMUONSA-N 1 0 382.516 1.514 20 0 GDADRO NC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746741 720810865 /nfs/dbraw/zinc/81/08/65/720810865.db2.gz MWWFMWIOUHHZRJ-XYJFISCASA-N 1 0 381.484 1.151 20 0 GDADRO 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NUXOHKSJYRJCDN-YGUOUDRMSA-N 1 0 386.431 1.337 20 0 GDADRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571271651 945646138 /nfs/dbraw/zinc/64/61/38/945646138.db2.gz GLSWHOYMCRGONA-LBPRGKRZSA-N 1 0 386.485 1.696 20 0 GDADRO CCn1cnc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571271614 945646357 /nfs/dbraw/zinc/64/63/57/945646357.db2.gz FRUWLHXIJAAFLF-LBPRGKRZSA-N 1 0 386.485 1.397 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)CCn1cccn1 ZINC001571271655 945646427 /nfs/dbraw/zinc/64/64/27/945646427.db2.gz GTWNGTOTNLLELY-CHWSQXEVSA-N 1 0 386.485 1.294 20 0 GDADRO Cc1ncc(C[N@@H+](C)C2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)s1 ZINC001571272350 945660281 /nfs/dbraw/zinc/66/02/81/945660281.db2.gz SKXSUCAYHZPYSD-UHFFFAOYSA-N 1 0 386.485 1.696 20 0 GDADRO Cc1nc(CC[NH2+]C2CC(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cs1 ZINC001571272548 945665840 /nfs/dbraw/zinc/66/58/40/945665840.db2.gz WCSHTKDJNVFOJH-UHFFFAOYSA-N 1 0 386.485 1.300 20 0 GDADRO O=C(Nc1ccnc(-c2nn[nH]n2)c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001571273052 945677009 /nfs/dbraw/zinc/67/70/09/945677009.db2.gz NYWPYIBXSPBQMW-CVEARBPZSA-N 1 0 386.460 1.151 20 0 GDADRO CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001571274949 945701412 /nfs/dbraw/zinc/70/14/12/945701412.db2.gz NDBAVDNHYOHIRR-LLVKDONJSA-N 1 0 386.909 1.919 20 0 GDADRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821629934 945757536 /nfs/dbraw/zinc/75/75/36/945757536.db2.gz GTVPZOAAMWJUBA-ZJUUUORDSA-N 1 0 379.852 1.161 20 0 GDADRO Cc1nc(C)c(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)o1 ZINC001571281147 945796488 /nfs/dbraw/zinc/79/64/88/945796488.db2.gz DBEQXJRVVWMXKT-LBPRGKRZSA-N 1 0 387.469 1.927 20 0 GDADRO CC1CCC(C[NH2+]C[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCO2)CC1 ZINC001571281452 945806902 /nfs/dbraw/zinc/80/69/02/945806902.db2.gz IRZVPDSHVNOEAK-ZBCRRDGASA-N 1 0 387.488 1.452 20 0 GDADRO Cc1nnsc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571281654 945810415 /nfs/dbraw/zinc/81/04/15/945810415.db2.gz KUMFBUHKOCOQMJ-LLVKDONJSA-N 1 0 387.473 1.139 20 0 GDADRO CC1(C)CO[C@H](C[NH2+][C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2(C)C)C1 ZINC001571281984 945825339 /nfs/dbraw/zinc/82/53/39/945825339.db2.gz QOAWBONRMNLIOW-WFASDCNBSA-N 1 0 387.488 1.450 20 0 GDADRO C[C@H]1C[C@H](NC(=O)Cc2cnoc2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571282216 945834614 /nfs/dbraw/zinc/83/46/14/945834614.db2.gz UXHZMYLMWZNRBD-WCQYABFASA-N 1 0 387.469 1.628 20 0 GDADRO O=C(NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1ccc(F)cn1 ZINC001571282826 945861705 /nfs/dbraw/zinc/86/17/05/945861705.db2.gz SFGASVZAKYOHSJ-LLVKDONJSA-N 1 0 387.444 1.714 20 0 GDADRO O=C(c1cncs1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282907 945864677 /nfs/dbraw/zinc/86/46/77/945864677.db2.gz VIQVWBMZYCLSCN-GFCCVEGCSA-N 1 0 387.444 1.857 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001571283040 945871888 /nfs/dbraw/zinc/87/18/88/945871888.db2.gz YIOFRJRZUQKZFK-KRWDZBQOSA-N 1 0 387.463 1.134 20 0 GDADRO O=C(NC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571283928 945894576 /nfs/dbraw/zinc/89/45/76/945894576.db2.gz LDQTUJXBSRGCEZ-QGZVFWFLSA-N 1 0 387.488 1.330 20 0 GDADRO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001571284164 945897601 /nfs/dbraw/zinc/89/76/01/945897601.db2.gz MAUOMPOIRNZTGY-UKRRQHHQSA-N 1 0 387.488 1.594 20 0 GDADRO CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573458918 945910394 /nfs/dbraw/zinc/91/03/94/945910394.db2.gz AYMVVVHXMHVBJM-OLZOCXBDSA-N 1 0 387.488 1.154 20 0 GDADRO C[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571286433 945947229 /nfs/dbraw/zinc/94/72/29/945947229.db2.gz HPLNNZFVAPRNQU-RNCFNFMXSA-N 1 0 388.432 1.108 20 0 GDADRO CC(=O)NC(C)(C)C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573463291 945952640 /nfs/dbraw/zinc/95/26/40/945952640.db2.gz UIJIHYRHZHNVIR-INIZCTEOSA-N 1 0 387.488 1.012 20 0 GDADRO O=C(CC1CC(F)(F)C1)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571286629 945952981 /nfs/dbraw/zinc/95/29/81/945952981.db2.gz MYZRWCQBVZIYQW-QLPKVWCKSA-N 1 0 388.422 1.849 20 0 GDADRO O=C(C[C@H]1CCCOC1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287603 945975524 /nfs/dbraw/zinc/97/55/24/945975524.db2.gz FWNTZJOPAXWSNJ-CJNGLKHVSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCCOC1 ZINC001571287798 945977877 /nfs/dbraw/zinc/97/78/77/945977877.db2.gz IFRKPWKXLDANPB-IFXJQAMLSA-N 1 0 388.447 1.513 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571288246 945983303 /nfs/dbraw/zinc/98/33/03/945983303.db2.gz MXWBFEBQYPWEND-LSDHHAIUSA-N 1 0 388.447 1.369 20 0 GDADRO CN(C(=O)C1CCOCC1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288297 945984909 /nfs/dbraw/zinc/98/49/09/945984909.db2.gz NQYIUFMXTHKMBX-UHFFFAOYSA-N 1 0 388.447 1.511 20 0 GDADRO CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288377 945985494 /nfs/dbraw/zinc/98/54/94/945985494.db2.gz OXSIUAYVAZTKIG-MSOLQXFVSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@]1(F)CCOC1 ZINC001571288564 945990742 /nfs/dbraw/zinc/99/07/42/945990742.db2.gz QPLZJIBVENLKDU-LPHOPBHVSA-N 1 0 388.447 1.466 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571288893 945992389 /nfs/dbraw/zinc/99/23/89/945992389.db2.gz UDGVOFSBWBIAPM-DNVCBOLYSA-N 1 0 388.447 1.276 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001571289292 946001111 /nfs/dbraw/zinc/00/11/11/946001111.db2.gz ZBSHANALPLUMCO-IFXJQAMLSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001571289324 946001342 /nfs/dbraw/zinc/00/13/42/946001342.db2.gz ZRENXRGCVYTBOI-KPAZRMRSSA-N 1 0 388.447 1.417 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(CNc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001571289369 946005497 /nfs/dbraw/zinc/00/54/97/946005497.db2.gz ARUNWAXEDYTWEX-RDTXWAMCSA-N 1 0 388.451 1.146 20 0 GDADRO CC(=O)N[C@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC001573477615 946141207 /nfs/dbraw/zinc/14/12/07/946141207.db2.gz STEGZWBAPVFPCH-CXAGYDPISA-N 1 0 387.488 1.012 20 0 GDADRO O=C(C[N@@H+]1C[C@H]2COC[C@@]2(c2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001571295819 946176331 /nfs/dbraw/zinc/17/63/31/946176331.db2.gz GSBVRBILNXKRGX-LAUBAEHRSA-N 1 0 390.447 1.705 20 0 GDADRO O=C([C@H]1Cc2ccccc2O1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571296312 946191062 /nfs/dbraw/zinc/19/10/62/946191062.db2.gz UPIABAMMIOSPQK-PKOBYXMFSA-N 1 0 390.447 1.561 20 0 GDADRO O=C(c1ncccn1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571298084 946206566 /nfs/dbraw/zinc/20/65/66/946206566.db2.gz JDMUZCKXZIEPKR-SJORKVTESA-N 1 0 390.451 1.536 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)C1CCOCC1 ZINC001571298531 946218874 /nfs/dbraw/zinc/21/88/74/946218874.db2.gz AJJJTRUEICLNNT-UHFFFAOYSA-N 1 0 390.513 1.872 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1NC(=O)[C@]1(C)CCOC1 ZINC001571298594 946221916 /nfs/dbraw/zinc/22/19/16/946221916.db2.gz BJUUSYFCXVYYRP-KBXCAEBGSA-N 1 0 390.513 1.681 20 0 GDADRO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822986302 946246576 /nfs/dbraw/zinc/24/65/76/946246576.db2.gz CSJKHUAZMMRKOP-GOSISDBHSA-N 1 0 384.484 1.907 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1CCCO1 ZINC001571299378 946248755 /nfs/dbraw/zinc/24/87/55/946248755.db2.gz LXBKHPNWTONAEH-ABHRYQDASA-N 1 0 390.513 1.728 20 0 GDADRO Cc1cc(N2C[C@@H]3CCCN(C(=O)c4cccnn4)[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571303770 946346966 /nfs/dbraw/zinc/34/69/66/946346966.db2.gz XTGBZHBZANJPCT-SUMWQHHRSA-N 1 0 391.439 1.101 20 0 GDADRO CC[C@H](F)C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CCO2 ZINC001571306145 946388214 /nfs/dbraw/zinc/38/82/14/946388214.db2.gz HOSJEUZOIXGJCQ-ZDUSSCGKSA-N 1 0 391.451 1.250 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)s1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001571306388 946398823 /nfs/dbraw/zinc/39/88/23/946398823.db2.gz VAKOMLDVPIRFMS-UHFFFAOYSA-N 1 0 391.501 1.182 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@@H]1CCCN1C(=O)Cc1cccnc1 ZINC001571306420 946400616 /nfs/dbraw/zinc/40/06/16/946400616.db2.gz KOTOVOPOFGMWNS-SFHVURJKSA-N 1 0 391.479 1.927 20 0 GDADRO Cn1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cccc(-c4nn[nH]n4)c2)C3)c1 ZINC001571306673 946407434 /nfs/dbraw/zinc/40/74/34/946407434.db2.gz ZJUCBVYGEOYWBK-RXVVDRJESA-N 1 0 391.479 1.990 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)c1cc2c([nH]1)CCC2 ZINC001571306796 946412174 /nfs/dbraw/zinc/41/21/74/946412174.db2.gz QHSWUSVORPWZCW-BFUOFWGJSA-N 1 0 391.479 1.934 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)CCc1ccccn1 ZINC001571306985 946414836 /nfs/dbraw/zinc/41/48/36/946414836.db2.gz SQHFNBCKHPOLES-BEFAXECRSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCN(C(=O)c2ccncn2)CC1 ZINC001571311188 946482502 /nfs/dbraw/zinc/48/25/02/946482502.db2.gz SLAPXDIYVNTYGP-CQSZACIVSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H]1CN(C(=O)COc2ccccc2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571311445 946487796 /nfs/dbraw/zinc/48/77/96/946487796.db2.gz XPSBQPBDIJKNPQ-HNAYVOBHSA-N 1 0 392.463 1.882 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccncn2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571312965 946508056 /nfs/dbraw/zinc/50/80/56/946508056.db2.gz GGHQOZLFXHYCNI-RDTXWAMCSA-N 1 0 392.467 1.687 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cccnn2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571313462 946523935 /nfs/dbraw/zinc/52/39/35/946523935.db2.gz OWJWPPIBLOMLSJ-NVXWUHKLSA-N 1 0 392.467 1.687 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)ncn1 ZINC001571316056 946563278 /nfs/dbraw/zinc/56/32/78/946563278.db2.gz SQKYGIQUETUIKF-CXAGYDPISA-N 1 0 392.467 1.463 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)C(C)(C)c3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316303 946572162 /nfs/dbraw/zinc/57/21/62/946572162.db2.gz YSQBUEQSNYFSGO-HNNXBMFYSA-N 1 0 392.467 1.638 20 0 GDADRO Cn1cc(C(=O)N[C@@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C23CCC3)cn1 ZINC001571316774 946588088 /nfs/dbraw/zinc/58/80/88/946588088.db2.gz MJKNWXMNPCBUMF-IAGOWNOFSA-N 1 0 392.467 1.431 20 0 GDADRO Cc1ncccc1C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@]2(C)C1 ZINC001571316830 946589261 /nfs/dbraw/zinc/58/92/61/946589261.db2.gz NRIJQGINEXEWQF-UZLBHIALSA-N 1 0 392.467 1.492 20 0 GDADRO O=C([C@@H]1CCn2ccnc2C1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316903 946592417 /nfs/dbraw/zinc/59/24/17/946592417.db2.gz PLRYEYPHQCKZTA-SJORKVTESA-N 1 0 392.467 1.016 20 0 GDADRO Cc1ncc(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c(C)n1 ZINC001571317050 946597658 /nfs/dbraw/zinc/59/76/58/946597658.db2.gz TXEIQPXYBWQISH-UHFFFAOYSA-N 1 0 392.467 1.572 20 0 GDADRO Cc1ccncc1CC(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571317123 946600701 /nfs/dbraw/zinc/60/07/01/946600701.db2.gz VUYVCBXHRMZXJZ-OAHLLOKOSA-N 1 0 392.467 1.493 20 0 GDADRO O=C(CCc1cncnc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571317178 946602057 /nfs/dbraw/zinc/60/20/57/946602057.db2.gz XKHSUKSRGIUERT-UHFFFAOYSA-N 1 0 392.467 1.324 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCn2cncc2C1 ZINC001571317859 946624784 /nfs/dbraw/zinc/62/47/84/946624784.db2.gz XRHPFKHWLYDYLG-BMFZPTHFSA-N 1 0 392.467 1.063 20 0 GDADRO C[C@@H](CO[C@H]1CCOC1)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824440725 946708929 /nfs/dbraw/zinc/70/89/29/946708929.db2.gz JIHDFGZJCFMMCP-KXBFYZLASA-N 1 0 386.500 1.615 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553727 946794472 /nfs/dbraw/zinc/79/44/72/946794472.db2.gz GENCXKMYVIQPSW-BBRMVZONSA-N 1 0 377.452 1.895 20 0 GDADRO CC(=O)Nc1ccc(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)cc1 ZINC001573547806 946841185 /nfs/dbraw/zinc/84/11/85/946841185.db2.gz VQGFJKZRMRFSKD-UHFFFAOYSA-N 1 0 392.423 1.017 20 0 GDADRO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000824808512 946939452 /nfs/dbraw/zinc/93/94/52/946939452.db2.gz UEXOBBBQJAZQGM-UHFFFAOYSA-N 1 0 384.484 1.968 20 0 GDADRO CCOCCO[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825605283 947254465 /nfs/dbraw/zinc/25/44/65/947254465.db2.gz UCNSAVXWBWLKIO-SFHVURJKSA-N 1 0 397.483 1.895 20 0 GDADRO C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573594718 947405894 /nfs/dbraw/zinc/40/58/94/947405894.db2.gz COFMQEDNIIRHFV-YJBOKZPZSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](C(=O)N(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573594730 947406365 /nfs/dbraw/zinc/40/63/65/947406365.db2.gz RLTKBNBFQCIQGR-SCLBCKFNSA-N 1 0 392.467 1.531 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573594872 947410637 /nfs/dbraw/zinc/41/06/37/947410637.db2.gz DCWLFSMWMSHPKS-SWLSCSKDSA-N 1 0 392.479 1.597 20 0 GDADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826059896 947422064 /nfs/dbraw/zinc/42/20/64/947422064.db2.gz BVHTYNGGZHQEMS-OAHLLOKOSA-N 1 0 380.456 1.225 20 0 GDADRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826104054 947430891 /nfs/dbraw/zinc/43/08/91/947430891.db2.gz OOSMLWUHVPHNPS-AWEZNQCLSA-N 1 0 397.435 1.976 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC001573596868 947431858 /nfs/dbraw/zinc/43/18/58/947431858.db2.gz LSSLHZNXQFFOAS-KSSFIOAISA-N 1 0 386.500 1.602 20 0 GDADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826133121 947446385 /nfs/dbraw/zinc/44/63/85/947446385.db2.gz JYTLUEHLFOYAMS-PXAZEXFGSA-N 1 0 392.485 1.968 20 0 GDADRO CC(C)N(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001573603421 947486965 /nfs/dbraw/zinc/48/69/65/947486965.db2.gz GMZVTXJAAGHSRW-WMLDXEAASA-N 1 0 387.488 1.750 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)n1cccn1 ZINC001573603498 947490304 /nfs/dbraw/zinc/49/03/04/947490304.db2.gz MBKYSGBDDXOFCD-CYBMUJFWSA-N 1 0 386.435 1.354 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573623592 947687573 /nfs/dbraw/zinc/68/75/73/947687573.db2.gz GSCGLVJAIXKBOS-KSSFIOAISA-N 1 0 377.452 1.756 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001573367233 947755568 /nfs/dbraw/zinc/75/55/68/947755568.db2.gz BELIRVGCPCPXMY-DOMZBBRYSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573368350 947769384 /nfs/dbraw/zinc/76/93/84/947769384.db2.gz NIEFEJINZOSRNB-NVXWUHKLSA-N 1 0 384.484 1.953 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573630816 947798156 /nfs/dbraw/zinc/79/81/56/947798156.db2.gz SOQAGQPOBHEWPT-HUUCEWRRSA-N 1 0 392.467 1.533 20 0 GDADRO C[C@H](C(=O)N1CCC[C@](CO)([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573632110 947811347 /nfs/dbraw/zinc/81/13/47/947811347.db2.gz YZRHWZGJVXJXAE-XOBRGWDASA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)N1CCCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573637410 947812593 /nfs/dbraw/zinc/81/25/93/947812593.db2.gz BWPURGFXDIUGAF-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CCCO1 ZINC001573637827 947825264 /nfs/dbraw/zinc/82/52/64/947825264.db2.gz RPUBIIWSAYUTRL-CRAIPNDOSA-N 1 0 384.484 1.716 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001573639610 947845875 /nfs/dbraw/zinc/84/58/75/947845875.db2.gz AGFCQUVWHKOVQZ-PBHICJAKSA-N 1 0 384.484 1.620 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001573377938 947853340 /nfs/dbraw/zinc/85/33/40/947853340.db2.gz SZTLQJRIFSNEQV-HDICACEKSA-N 1 0 382.468 1.516 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1(C)C ZINC001573380936 947866811 /nfs/dbraw/zinc/86/68/11/947866811.db2.gz KMTCNPZJYRZRKP-QGZVFWFLSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573381733 947879020 /nfs/dbraw/zinc/87/90/20/947879020.db2.gz YJZNPIODWFLCGI-KRWDZBQOSA-N 1 0 384.484 1.954 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@@H]2C1)C1CC1 ZINC001573647634 947898856 /nfs/dbraw/zinc/89/88/56/947898856.db2.gz QZJSCXCQUVLSJY-JLZZUVOBSA-N 1 0 384.459 1.942 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573647944 947904069 /nfs/dbraw/zinc/90/40/69/947904069.db2.gz VUKQOQSKUHDHLS-PBFPGSCMSA-N 1 0 378.440 1.141 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573666004 948079965 /nfs/dbraw/zinc/07/99/65/948079965.db2.gz OMMJBVUHXLUOEO-HOCLYGCPSA-N 1 0 380.456 1.405 20 0 GDADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826359266 948114999 /nfs/dbraw/zinc/11/49/99/948114999.db2.gz AYSOFTIKKCVDHM-RCCFBDPRSA-N 1 0 383.456 1.222 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C ZINC001573681000 948193756 /nfs/dbraw/zinc/19/37/56/948193756.db2.gz RMBUIHPTGYVVCF-BXUZGUMPSA-N 1 0 378.452 1.255 20 0 GDADRO NC(=O)c1csc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826394085 948204205 /nfs/dbraw/zinc/20/42/05/948204205.db2.gz WJFKLJJPAVCDHN-HNNXBMFYSA-N 1 0 397.464 1.312 20 0 GDADRO CC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001573438604 948238183 /nfs/dbraw/zinc/23/81/83/948238183.db2.gz CSMPITLEGFDBOF-MRXNPFEDSA-N 1 0 388.447 1.513 20 0 GDADRO CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001573440006 948259659 /nfs/dbraw/zinc/25/96/59/948259659.db2.gz YJTPEDFGKQJTTD-MSOLQXFVSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cccs1 ZINC001573692300 948260293 /nfs/dbraw/zinc/26/02/93/948260293.db2.gz NYAVKKPKASNKHC-TZMCWYRMSA-N 1 0 386.481 1.299 20 0 GDADRO CC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CC1 ZINC001573440121 948261201 /nfs/dbraw/zinc/26/12/01/948261201.db2.gz ZUNCBVGWNDDKFG-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC001573692539 948268093 /nfs/dbraw/zinc/26/80/93/948268093.db2.gz PRHFZYLGLUROGP-DOMZBBRYSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)C1CC1 ZINC001573694786 948297555 /nfs/dbraw/zinc/29/75/55/948297555.db2.gz DXDPNHVIILPPSL-WAFHWIMBSA-N 1 0 384.459 1.846 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573703575 948357348 /nfs/dbraw/zinc/35/73/48/948357348.db2.gz LBVJICKADIPHFU-HUUCEWRRSA-N 1 0 392.467 1.793 20 0 GDADRO O=C1[C@H](N2CC[C@@H]([NH+]3CCCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476317 948379669 /nfs/dbraw/zinc/37/96/69/948379669.db2.gz FIAAYBUPQCLGPO-RTBURBONSA-N 1 0 395.511 1.922 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476631 948383483 /nfs/dbraw/zinc/38/34/83/948383483.db2.gz LODHCLNMDLDCKK-DOTOQJQBSA-N 1 0 392.467 1.965 20 0 GDADRO O=C1[C@H](N2CC[N@@H+]3CCCC[C@@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477298 948387360 /nfs/dbraw/zinc/38/73/60/948387360.db2.gz ZKAURBKWWMTIFC-QZTJIDSGSA-N 1 0 381.484 1.532 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCCO1)C1CC1 ZINC001573707732 948438178 /nfs/dbraw/zinc/43/81/78/948438178.db2.gz PHLYQKHHSZEHRY-GXTWGEPZSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@@H](CCNC(=O)[C@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573718389 948517839 /nfs/dbraw/zinc/51/78/39/948517839.db2.gz RGQFIMHASAPZNP-STQMWFEESA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[C@@H]1CCCO1 ZINC001573720925 948535682 /nfs/dbraw/zinc/53/56/82/948535682.db2.gz SXQGZTYNQMWYSI-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573725529 948541320 /nfs/dbraw/zinc/54/13/20/948541320.db2.gz AETLWTIMDAEBBM-RWMBFGLXSA-N 1 0 386.485 1.370 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573729999 948573309 /nfs/dbraw/zinc/57/33/09/948573309.db2.gz XOIBIYUFPAZDOP-UNEWFSDZSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C)n1cccn1 ZINC001573740522 948635532 /nfs/dbraw/zinc/63/55/32/948635532.db2.gz KPUBXOSZXXKMSO-YRGRVCCFSA-N 1 0 386.485 1.322 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001573741565 948655868 /nfs/dbraw/zinc/65/58/68/948655868.db2.gz CVXUOQDKGLAHBQ-GHMZBOCLSA-N 1 0 387.394 1.682 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@@H]1CCCO1 ZINC001573745216 948670820 /nfs/dbraw/zinc/67/08/20/948670820.db2.gz BRNUCHHJVADEHL-DPYKFYPSSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573748824 948697967 /nfs/dbraw/zinc/69/79/67/948697967.db2.gz VHAVKAXWTUMHMS-WQVCFCJDSA-N 1 0 383.431 1.805 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)n1cccc1 ZINC001573753745 948721220 /nfs/dbraw/zinc/72/12/20/948721220.db2.gz XVFLRJHZOFFICC-RCBQFDQVSA-N 1 0 383.431 1.805 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)c1ccco1 ZINC001573753990 948722468 /nfs/dbraw/zinc/72/24/68/948722468.db2.gz ZBDSCKKZFXQCKV-ANRZDRKOSA-N 1 0 378.436 1.810 20 0 GDADRO CC(F)(F)C1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001575222804 948761450 /nfs/dbraw/zinc/76/14/50/948761450.db2.gz KOKCYZGNUXMWAM-CQSZACIVSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574915598 948767365 /nfs/dbraw/zinc/76/73/65/948767365.db2.gz VKIUFGGPNXXYQA-ZDUSSCGKSA-N 1 0 383.431 1.628 20 0 GDADRO C[C@H](CNC(=O)CCc1ccccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574915596 948767410 /nfs/dbraw/zinc/76/74/10/948767410.db2.gz VKIUFGGPNXXYQA-CYBMUJFWSA-N 1 0 383.431 1.628 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574917185 948811143 /nfs/dbraw/zinc/81/11/43/948811143.db2.gz SYUWROYUYXSVND-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO CC(F)(F)CC(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575226977 948826847 /nfs/dbraw/zinc/82/68/47/948826847.db2.gz QJNCDDLLYFZOBZ-NSHDSACASA-N 1 0 382.390 1.989 20 0 GDADRO CC(C)c1nc(C(=O)N(C)[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)cs1 ZINC001574424178 948846025 /nfs/dbraw/zinc/84/60/25/948846025.db2.gz HGYQGDAJMOSBIJ-LLVKDONJSA-N 1 0 386.485 1.836 20 0 GDADRO C[C@H](CCNc1nc(Cl)c(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574684022 948856687 /nfs/dbraw/zinc/85/66/87/948856687.db2.gz AFSUNHNEWIGOKC-BDAKNGLRSA-N 1 0 384.897 1.378 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001574684600 948878371 /nfs/dbraw/zinc/87/83/71/948878371.db2.gz IPZRVEJCIWZAJX-LLVKDONJSA-N 1 0 392.895 1.706 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCOCC1 ZINC001573765767 948924531 /nfs/dbraw/zinc/92/45/31/948924531.db2.gz FEGAZZYHBCRPHV-AWEZNQCLSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@@H](CNC(=O)CCc1ncccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574921512 948927897 /nfs/dbraw/zinc/92/78/97/948927897.db2.gz ZAKRTVPNSBQCEI-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)c1ncncc1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574431890 948928729 /nfs/dbraw/zinc/92/87/29/948928729.db2.gz DCBQCCVCNLCNCL-UHFFFAOYSA-N 1 0 392.467 1.642 20 0 GDADRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC001574089612 948964045 /nfs/dbraw/zinc/96/40/45/948964045.db2.gz GBDGEUNKFLTJGS-MSOLQXFVSA-N 1 0 383.500 2.000 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574925531 948973658 /nfs/dbraw/zinc/97/36/58/948973658.db2.gz AVHWEBJGKRKQSO-JTQLQIEISA-N 1 0 378.868 1.316 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573774484 949006803 /nfs/dbraw/zinc/00/68/03/949006803.db2.gz SIAGKTXFMKIQQO-OAHLLOKOSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](CNC(=O)C[NH+]1CCCC1)N(C)c1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574926775 949020932 /nfs/dbraw/zinc/02/09/32/949020932.db2.gz XGRBZTNTFJFLEL-VIFPVBQESA-N 1 0 384.897 1.013 20 0 GDADRO CC(C)[C@@H]1C[C@H](C(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001574091744 949028211 /nfs/dbraw/zinc/02/82/11/949028211.db2.gz LQVVJMUAMAQNAA-PBHICJAKSA-N 1 0 387.488 1.608 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001574692694 949038229 /nfs/dbraw/zinc/03/82/29/949038229.db2.gz ANGODRRXZALCCZ-YOEHRIQHSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574692770 949039724 /nfs/dbraw/zinc/03/97/24/949039724.db2.gz BXZGHYNACFUMPB-ZDUSSCGKSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575246681 949040372 /nfs/dbraw/zinc/04/03/72/949040372.db2.gz HLOXAZOAMSVWIT-OLZOCXBDSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001575503457 949049244 /nfs/dbraw/zinc/04/92/44/949049244.db2.gz QAMJVOUKPBHFBY-KGLIPLIRSA-N 1 0 381.440 1.324 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)c1cnc[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574693757 949060853 /nfs/dbraw/zinc/06/08/53/949060853.db2.gz IPKZGRCLJGROIL-CYBMUJFWSA-N 1 0 382.472 1.504 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001574694376 949073819 /nfs/dbraw/zinc/07/38/19/949073819.db2.gz OJGNJDSPPKWWOR-XJKSGUPXSA-N 1 0 387.492 1.036 20 0 GDADRO CC(C)(C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1c[nH]cn1 ZINC001573782481 949126077 /nfs/dbraw/zinc/12/60/77/949126077.db2.gz UXGULOIEFJKUEC-UHFFFAOYSA-N 1 0 380.456 1.116 20 0 GDADRO C[C@H](NC(=O)[C@]1(F)CCOC1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575251316 949134698 /nfs/dbraw/zinc/13/46/98/949134698.db2.gz ANXOXCOVDGFNAN-VOJFVSQTSA-N 1 0 392.410 1.071 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574446809 949142222 /nfs/dbraw/zinc/14/22/22/949142222.db2.gz WZPUHJGWAWKXAD-CQSZACIVSA-N 1 0 384.440 1.464 20 0 GDADRO CC(C)c1ocnc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574447538 949164990 /nfs/dbraw/zinc/16/49/90/949164990.db2.gz SCKBFXWMCSRYGO-SNVBAGLBSA-N 1 0 375.458 1.948 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573787210 949172558 /nfs/dbraw/zinc/17/25/58/949172558.db2.gz PMWNKKPQXAORNX-SHTZXODSSA-N 1 0 377.452 1.721 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574698497 949195648 /nfs/dbraw/zinc/19/56/48/949195648.db2.gz LTEIAJSYTKSCBK-KBPBESRZSA-N 1 0 381.440 1.410 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)n1cccn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574698610 949199688 /nfs/dbraw/zinc/19/96/88/949199688.db2.gz NADCYSSNFZNKRE-STQMWFEESA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](c1ccccc1)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575516650 949209163 /nfs/dbraw/zinc/20/91/63/949209163.db2.gz QPTPQSWCALJUMW-CJNGLKHVSA-N 1 0 383.456 1.321 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575254759 949214289 /nfs/dbraw/zinc/21/42/89/949214289.db2.gz XNAXUKJQUKYJSD-QWHCGFSZSA-N 1 0 387.492 1.226 20 0 GDADRO C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575254760 949214667 /nfs/dbraw/zinc/21/46/67/949214667.db2.gz XNAXUKJQUKYJSD-STQMWFEESA-N 1 0 387.492 1.226 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575516998 949222877 /nfs/dbraw/zinc/22/28/77/949222877.db2.gz SNVMNXUGVMNVLF-QWHCGFSZSA-N 1 0 381.444 1.140 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574937651 949223792 /nfs/dbraw/zinc/22/37/92/949223792.db2.gz PAMHFWMCQOMOKB-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574937644 949224039 /nfs/dbraw/zinc/22/40/39/949224039.db2.gz OYOXWNFAARGKAE-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574699114 949227982 /nfs/dbraw/zinc/22/79/82/949227982.db2.gz SRSSFBFUPDXASH-ZIAGYGMSSA-N 1 0 382.472 1.405 20 0 GDADRO CC(C)c1oncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574451760 949241774 /nfs/dbraw/zinc/24/17/74/949241774.db2.gz XGIBJXSZTDFKKT-OAHLLOKOSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574702781 949292995 /nfs/dbraw/zinc/29/29/95/949292995.db2.gz LQQNMNAFZLWQLU-BFUOFWGJSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](c1ncccn1)[N@@H+]1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575524152 949313256 /nfs/dbraw/zinc/31/32/56/949313256.db2.gz SJAAFUJNZOTVKB-QWHCGFSZSA-N 1 0 381.444 1.188 20 0 GDADRO CC(C)CC(=O)N1CCC[C@H]([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574109062 949315120 /nfs/dbraw/zinc/31/51/20/949315120.db2.gz VSFKMVJDDUEBJG-AWEZNQCLSA-N 1 0 392.529 1.760 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574703188 949316046 /nfs/dbraw/zinc/31/60/46/949316046.db2.gz SRJAPJVYBIAXDI-NSHDSACASA-N 1 0 376.440 1.001 20 0 GDADRO CC(C)n1ccc(C(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001574457172 949316770 /nfs/dbraw/zinc/31/67/70/949316770.db2.gz AUABUBBAGFMVBG-UHFFFAOYSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@H](c1ncccn1)[N@H+](C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575524597 949320742 /nfs/dbraw/zinc/32/07/42/949320742.db2.gz UXISXQRBIDCDGJ-GFCCVEGCSA-N 1 0 381.444 1.282 20 0 GDADRO C[C@@H](NC(=O)C1=CCOCC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575259657 949331704 /nfs/dbraw/zinc/33/17/04/949331704.db2.gz PWRMMMZUWFHOQA-GFCCVEGCSA-N 1 0 386.431 1.289 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+]1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 ZINC001575525649 949347927 /nfs/dbraw/zinc/34/79/27/949347927.db2.gz YYIQMOLSNQBIGQ-FRRDWIJNSA-N 1 0 381.444 1.044 20 0 GDADRO CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001574459410 949354659 /nfs/dbraw/zinc/35/46/59/949354659.db2.gz FURCTNHULWGEQH-UHFFFAOYSA-N 1 0 383.460 1.365 20 0 GDADRO CC(C)n1ccc(CC(=O)NCC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001574460134 949367093 /nfs/dbraw/zinc/36/70/93/949367093.db2.gz PTFNOEWKHAAADZ-ZDUSSCGKSA-N 1 0 383.460 1.010 20 0 GDADRO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001574704196 949377238 /nfs/dbraw/zinc/37/72/38/949377238.db2.gz ATWWNAIAACENJR-GOEBONIOSA-N 1 0 386.504 1.783 20 0 GDADRO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574704259 949381379 /nfs/dbraw/zinc/38/13/79/949381379.db2.gz LRGWJAKXJUAINM-LLVKDONJSA-N 1 0 390.879 1.270 20 0 GDADRO C[C@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574704445 949388034 /nfs/dbraw/zinc/38/80/34/949388034.db2.gz CMLMOEFEGCNKMY-CYBMUJFWSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CCCOCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263142 949388419 /nfs/dbraw/zinc/38/84/19/949388419.db2.gz DYXMKLCLEGKJQT-ZBFHGGJFSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H]1CCCC[C@]1(CNc1ncccc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001576155251 949392089 /nfs/dbraw/zinc/39/20/89/949392089.db2.gz HKVXHVWOPUBCQJ-AUUYWEPGSA-N 1 0 386.504 1.690 20 0 GDADRO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001574704633 949400693 /nfs/dbraw/zinc/40/06/93/949400693.db2.gz DRWUEXXERCEQCT-UONOGXRCSA-N 1 0 387.492 1.178 20 0 GDADRO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574704876 949408263 /nfs/dbraw/zinc/40/82/63/949408263.db2.gz FKHBWPQYUWMCOR-HIFRSBDPSA-N 1 0 387.492 1.178 20 0 GDADRO CC(C)n1cnc(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001574464361 949410310 /nfs/dbraw/zinc/41/03/10/949410310.db2.gz MBSVXAXEMUGGPC-UHFFFAOYSA-N 1 0 380.456 1.506 20 0 GDADRO C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575263851 949410686 /nfs/dbraw/zinc/41/06/86/949410686.db2.gz KGYXOOVKXFHXGA-VOJFVSQTSA-N 1 0 390.513 1.416 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575535168 949439821 /nfs/dbraw/zinc/43/98/21/949439821.db2.gz SVKYWTCLXBLRNZ-SJKOYZFVSA-N 1 0 376.486 1.293 20 0 GDADRO C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265590 949450775 /nfs/dbraw/zinc/45/07/75/949450775.db2.gz VIKVNTXPOCYPRF-RHSMWYFYSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574707129 949463707 /nfs/dbraw/zinc/46/37/07/949463707.db2.gz NITHHTKQROOYGH-OCCSQVGLSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574707643 949469758 /nfs/dbraw/zinc/46/97/58/949469758.db2.gz PIZVUMORIORKGO-ZWNOBZJWSA-N 1 0 378.868 1.268 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574708218 949487095 /nfs/dbraw/zinc/48/70/95/949487095.db2.gz UFZBGFZAXDGJRK-FUJMWEONSA-N 1 0 390.463 1.493 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574470131 949489729 /nfs/dbraw/zinc/48/97/29/949489729.db2.gz MLLXXEGLWNTNLA-SHTZXODSSA-N 1 0 380.456 1.695 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCOCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574708468 949493510 /nfs/dbraw/zinc/49/35/10/949493510.db2.gz VPDTUNDPPHOJNA-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO CC1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOCC1 ZINC001575538181 949512702 /nfs/dbraw/zinc/51/27/02/949512702.db2.gz DLOROYOWHWVCPQ-QGZVFWFLSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001574711098 949523408 /nfs/dbraw/zinc/52/34/08/949523408.db2.gz DCPFSXNBCXKCRF-ZDUSSCGKSA-N 1 0 387.492 1.036 20 0 GDADRO CC(C)CC(=O)NCCN1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001574123208 949547842 /nfs/dbraw/zinc/54/78/42/949547842.db2.gz MIKWUNHSOVVCPX-UHFFFAOYSA-N 1 0 385.516 1.583 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576164514 949556053 /nfs/dbraw/zinc/55/60/53/949556053.db2.gz GVLXPKWWPXNMGE-RHSMWYFYSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574955841 949572651 /nfs/dbraw/zinc/57/26/51/949572651.db2.gz FUVZWWQDEQLYID-JGFGOQIWSA-N 1 0 388.447 1.415 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cccnn1 ZINC001573810668 949578592 /nfs/dbraw/zinc/57/85/92/949578592.db2.gz BSKHBAQTVYMMSX-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C1CCOCC1 ZINC001573810951 949586929 /nfs/dbraw/zinc/58/69/29/949586929.db2.gz FXPBRPVMTMOSLA-QGZVFWFLSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574956680 949588652 /nfs/dbraw/zinc/58/86/52/949588652.db2.gz LTBYBAUHADLMBI-YRGRVCCFSA-N 1 0 377.518 1.205 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]CCOCC1CC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573811117 949589945 /nfs/dbraw/zinc/58/99/45/949589945.db2.gz HRJVBEXRSPYYEE-OAHLLOKOSA-N 1 0 375.477 1.356 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cccnn1 ZINC001573811282 949595260 /nfs/dbraw/zinc/59/52/60/949595260.db2.gz JBHFHNDRGNBPDH-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCOC1 ZINC001573811305 949596890 /nfs/dbraw/zinc/59/68/90/949596890.db2.gz JUZVCTAISHNNHI-CJNGLKHVSA-N 1 0 390.463 1.663 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576167019 949597986 /nfs/dbraw/zinc/59/79/86/949597986.db2.gz OJWCECQPIXHVLO-PBHICJAKSA-N 1 0 386.500 1.744 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ncc[nH]1 ZINC001573811560 949598522 /nfs/dbraw/zinc/59/85/22/949598522.db2.gz LRNXLBCOMPDOPB-AWEZNQCLSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576167150 949598816 /nfs/dbraw/zinc/59/88/16/949598816.db2.gz OYGYHKOFZMOBQN-RHSMWYFYSA-N 1 0 387.488 1.752 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1n[nH]cc1F ZINC001573812011 949613991 /nfs/dbraw/zinc/61/39/91/949613991.db2.gz PLCQPFWSSRZMOD-AWEZNQCLSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574957506 949619064 /nfs/dbraw/zinc/61/90/64/949619064.db2.gz ZPWUTWJFBNCJSV-XWIAVFTESA-N 1 0 384.484 1.618 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574714500 949630123 /nfs/dbraw/zinc/63/01/23/949630123.db2.gz DSVNPMBUMYAMHL-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)CC(C)(C)C(=O)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574129119 949631752 /nfs/dbraw/zinc/63/17/52/949631752.db2.gz QNRAQLSRWUOSRR-AWEZNQCLSA-N 1 0 387.488 1.395 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001575272396 949640108 /nfs/dbraw/zinc/64/01/08/949640108.db2.gz QDENUEUWSDGTOQ-KGLIPLIRSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574715135 949640745 /nfs/dbraw/zinc/64/07/45/949640745.db2.gz BONSSQKULYEFMN-KBPBESRZSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574958227 949660481 /nfs/dbraw/zinc/66/04/81/949660481.db2.gz HCCSTXFPEQXJKU-HFBAOOFYSA-N 1 0 384.415 1.997 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574715754 949666048 /nfs/dbraw/zinc/66/60/48/949666048.db2.gz GEOQZQFZYKXFET-CZUORRHYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574958314 949667656 /nfs/dbraw/zinc/66/76/56/949667656.db2.gz IRPAKVCCDVVCLY-IYDIDCQVSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574959072 949703013 /nfs/dbraw/zinc/70/30/13/949703013.db2.gz QBDPSQXRVVWHKG-ZLKJLUDKSA-N 1 0 384.419 1.127 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575880532 949703900 /nfs/dbraw/zinc/70/39/00/949703900.db2.gz UFRXOIOPTJAIJN-DNVCBOLYSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001576170036 949704282 /nfs/dbraw/zinc/70/42/82/949704282.db2.gz IRBHYCAPCLDCQY-IUODEOHRSA-N 1 0 390.467 1.392 20 0 GDADRO C[C@H](CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574959074 949704434 /nfs/dbraw/zinc/70/44/34/949704434.db2.gz YGWZVTATCDNAIA-RZIBCXTOSA-N 1 0 384.459 1.892 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOCC1 ZINC001573817812 949707344 /nfs/dbraw/zinc/70/73/44/949707344.db2.gz BKWSWUUVIVTUEW-CJNGLKHVSA-N 1 0 387.488 1.443 20 0 GDADRO C[C@@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C2CC2)CCOC1 ZINC001575557154 949707939 /nfs/dbraw/zinc/70/79/39/949707939.db2.gz BTBLLYFTSIADDM-VQIMIIECSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001574478808 949723215 /nfs/dbraw/zinc/72/32/15/949723215.db2.gz AVKBCSARAOOHCB-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574717405 949735931 /nfs/dbraw/zinc/73/59/31/949735931.db2.gz POBMPHXHSWULRK-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCOC1 ZINC001573818967 949747213 /nfs/dbraw/zinc/74/72/13/949747213.db2.gz PURWEYYABCCPOH-BBRMVZONSA-N 1 0 387.488 1.443 20 0 GDADRO C[C@@H](NC(=O)CCc1cnccn1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277922 949761058 /nfs/dbraw/zinc/76/10/58/949761058.db2.gz SOODKSYKSAMYMR-CQSZACIVSA-N 1 0 392.467 1.226 20 0 GDADRO C[C@@H](NC(=O)CCc1cn[nH]c1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575279223 949779303 /nfs/dbraw/zinc/77/93/03/949779303.db2.gz XHGKPGOVXVZBDM-CYBMUJFWSA-N 1 0 380.456 1.159 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cc2cc[nH]n2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575882560 949783411 /nfs/dbraw/zinc/78/34/11/949783411.db2.gz MTGSCPTZLDHGKD-CXAGYDPISA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575560294 949785381 /nfs/dbraw/zinc/78/53/81/949785381.db2.gz NQYRHIJPDWAVRU-SVGDTCPJSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](NC(=O)COC1CCCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575281281 949808451 /nfs/dbraw/zinc/80/84/51/949808451.db2.gz FGHKMJSZLPWISH-AWEZNQCLSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574139280 949810470 /nfs/dbraw/zinc/81/04/70/949810470.db2.gz JFOBBYVYSOVIRF-ZIAGYGMSSA-N 1 0 375.477 1.308 20 0 GDADRO C[C@@H](CN(C)C(=O)CCCn1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574722694 949838739 /nfs/dbraw/zinc/83/87/39/949838739.db2.gz VOPXJRZJNPTSJU-ZDUSSCGKSA-N 1 0 388.501 1.542 20 0 GDADRO C[C@H](CN(C)C(=O)CCn1cccn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574724258 949868114 /nfs/dbraw/zinc/86/81/14/949868114.db2.gz FVTQYEKUVMKNFL-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H](CNC(=O)c1c(F)cncc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574968217 949894148 /nfs/dbraw/zinc/89/41/48/949894148.db2.gz NQKQZUIFGVTBBI-QMMMGPOBSA-N 1 0 379.396 1.510 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1Cl)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001575284868 949921681 /nfs/dbraw/zinc/92/16/81/949921681.db2.gz KNERDNDEJDDHJH-WDEREUQCSA-N 1 0 378.868 1.316 20 0 GDADRO C[C@H](NC(=O)CCn1cccn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285572 949952922 /nfs/dbraw/zinc/95/29/22/949952922.db2.gz OXNZKYCUEYEIDP-LBPRGKRZSA-N 1 0 386.485 1.152 20 0 GDADRO C[C@H]1CCN(C(=O)Cc2cccnc2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180522 949960990 /nfs/dbraw/zinc/96/09/90/949960990.db2.gz DWYNVZKIRJIJEX-HOCLYGCPSA-N 1 0 392.467 1.218 20 0 GDADRO C[C@H](NC(=O)C[NH+]1CCCC1)C1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575286700 949984727 /nfs/dbraw/zinc/98/47/27/949984727.db2.gz XSLAEEZQEICTTH-ZDUSSCGKSA-N 1 0 387.463 1.038 20 0 GDADRO CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCCC1 ZINC001575573337 949991287 /nfs/dbraw/zinc/99/12/87/949991287.db2.gz LWBFDTHZCUIPBD-LBPRGKRZSA-N 1 0 378.502 1.465 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1cccnc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574730324 950028981 /nfs/dbraw/zinc/02/89/81/950028981.db2.gz RBNAVIGNQCTDMA-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@]1(C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCC2)CCCOC1 ZINC001575574889 950035679 /nfs/dbraw/zinc/03/56/79/950035679.db2.gz BDIVZGKGNJGIEV-IBGZPJMESA-N 1 0 384.484 1.812 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C[NH2+]Cc1cnns1 ZINC001576182828 950066514 /nfs/dbraw/zinc/06/65/14/950066514.db2.gz POZATLBZAFDQLW-HZMBPMFUSA-N 1 0 387.473 1.077 20 0 GDADRO CC(C)C[C@@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574151431 950075811 /nfs/dbraw/zinc/07/58/11/950075811.db2.gz RAOAGALEWHQARO-LSDHHAIUSA-N 1 0 375.477 1.498 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1nnc[nH]1 ZINC001574151367 950075971 /nfs/dbraw/zinc/07/59/71/950075971.db2.gz PWTYTDDHGVAUDS-LBPRGKRZSA-N 1 0 387.423 1.058 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574732521 950076717 /nfs/dbraw/zinc/07/67/17/950076717.db2.gz JIVDMLQBGOGZBO-XWIAVFTESA-N 1 0 384.484 1.618 20 0 GDADRO C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576183307 950083001 /nfs/dbraw/zinc/08/30/01/950083001.db2.gz PDXLGJRYPCOZGY-HUUCEWRRSA-N 1 0 386.504 1.500 20 0 GDADRO CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCCCC1 ZINC001575577552 950085259 /nfs/dbraw/zinc/08/52/59/950085259.db2.gz WRYXMNIRMPRIJD-HNNXBMFYSA-N 1 0 390.463 1.543 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151683 950090897 /nfs/dbraw/zinc/09/08/97/950090897.db2.gz XYGUXEALSQPETK-GJZGRUSLSA-N 1 0 389.504 1.744 20 0 GDADRO C[C@@]1(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCCCC2)CCOC1 ZINC001575582072 950097750 /nfs/dbraw/zinc/09/77/50/950097750.db2.gz DGUZAEPHCBOVBA-GOSISDBHSA-N 1 0 385.472 1.341 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cncnc2)[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576183741 950101004 /nfs/dbraw/zinc/10/10/04/950101004.db2.gz UHVWAWKUSIIAIJ-KSSFIOAISA-N 1 0 392.467 1.687 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cnn(C)c1 ZINC001574152770 950117799 /nfs/dbraw/zinc/11/77/99/950117799.db2.gz JSCAHHGSPGRIEW-QGZVFWFLSA-N 1 0 382.472 1.535 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOC1 ZINC001574153055 950125175 /nfs/dbraw/zinc/12/51/75/950125175.db2.gz MDHBCCIBYFSXPL-SJORKVTESA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCc1c(F)cccc1Cl ZINC001574978338 950133605 /nfs/dbraw/zinc/13/36/05/950133605.db2.gz RRDAJHKEKGVBPZ-JTQLQIEISA-N 1 0 391.838 1.938 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001574978630 950137693 /nfs/dbraw/zinc/13/76/93/950137693.db2.gz TUSLGSNVAAOZQM-RFAUZJTJSA-N 1 0 387.394 1.868 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001574979211 950149594 /nfs/dbraw/zinc/14/95/94/950149594.db2.gz XNNPZOFKIWYZLO-UWVGGRQHSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccon2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576190801 950173045 /nfs/dbraw/zinc/17/30/45/950173045.db2.gz BXMVWBHNVCFIKB-BBRMVZONSA-N 1 0 381.440 1.743 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cccc(F)c1Cl ZINC001574982587 950176160 /nfs/dbraw/zinc/17/61/60/950176160.db2.gz DXINXRBJXRRWLN-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1ccncc1 ZINC001574494742 950179916 /nfs/dbraw/zinc/17/99/16/950179916.db2.gz NLSCGPNBKSCKQI-UGSOOPFHSA-N 1 0 392.467 1.579 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ncccn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575900128 950190331 /nfs/dbraw/zinc/19/03/31/950190331.db2.gz CJCBOSRUICQLSZ-CJNGLKHVSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2ncccn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575900657 950204149 /nfs/dbraw/zinc/20/41/49/950204149.db2.gz HBWNETIZMZDSBD-XJKSGUPXSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001574983204 950206172 /nfs/dbraw/zinc/20/61/72/950206172.db2.gz MMYXLQMLDBZXOC-BZNIZROVSA-N 1 0 383.431 1.977 20 0 GDADRO CC(C)(C)CC[NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCOCC1 ZINC001573845288 950218099 /nfs/dbraw/zinc/21/80/99/950218099.db2.gz VHJAFTLATJJIDP-UHFFFAOYSA-N 1 0 375.477 1.500 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573845276 950220006 /nfs/dbraw/zinc/22/00/06/950220006.db2.gz UONTWOMYJLJBCJ-ZDUSSCGKSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575901148 950220320 /nfs/dbraw/zinc/22/03/20/950220320.db2.gz LSVSDLWGTKNGOX-RISCZKNCSA-N 1 0 384.469 1.501 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]CCc2ccccc2F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575901297 950229363 /nfs/dbraw/zinc/22/93/63/950229363.db2.gz NFCBCLMAGOMILK-WBMJQRKESA-N 1 0 383.431 1.769 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1cnoc1 ZINC001575901487 950232046 /nfs/dbraw/zinc/23/20/46/950232046.db2.gz OJKWRRGCIBUPPK-BZNIZROVSA-N 1 0 385.403 1.316 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575587780 950239245 /nfs/dbraw/zinc/23/92/45/950239245.db2.gz OLDJJGMETDDSDB-BFUOFWGJSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@H](CC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001574497848 950246995 /nfs/dbraw/zinc/24/69/95/950246995.db2.gz FAYHVOOGBBWDMR-CQSZACIVSA-N 1 0 380.456 1.453 20 0 GDADRO C[C@H](CN(C)C(=O)c1c(F)cncc1F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574741668 950250848 /nfs/dbraw/zinc/25/08/48/950250848.db2.gz KMBWGRYDWCHTGL-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576192793 950266258 /nfs/dbraw/zinc/26/62/58/950266258.db2.gz PAGNYNOFGHATIC-CQSZACIVSA-N 1 0 389.479 1.997 20 0 GDADRO C[C@H](CC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)n1ccnc1 ZINC001574498457 950275647 /nfs/dbraw/zinc/27/56/47/950275647.db2.gz NPTOBJHYYRTSPA-CQSZACIVSA-N 1 0 380.456 1.453 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1ccoc1 ZINC001575904655 950282382 /nfs/dbraw/zinc/28/23/82/950282382.db2.gz AAFITILWQGGTEE-YVEFUNNKSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cc[nH]n1 ZINC001575905106 950287486 /nfs/dbraw/zinc/28/74/86/950287486.db2.gz BFEZPMIATNNLGT-MEDUHNTESA-N 1 0 384.419 1.051 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cscn1 ZINC001575905700 950297712 /nfs/dbraw/zinc/29/77/12/950297712.db2.gz DHQTXDWJQDFFSY-YGRLFVJLSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575906544 950318115 /nfs/dbraw/zinc/31/81/15/950318115.db2.gz IYFMVVOUNOEAAN-YVEFUNNKSA-N 1 0 383.431 1.656 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)COC(C)(C)C ZINC001574159893 950319889 /nfs/dbraw/zinc/31/98/89/950319889.db2.gz ZGJODULKUMFEQW-CYBMUJFWSA-N 1 0 375.477 1.442 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cnccn1 ZINC001575906885 950323409 /nfs/dbraw/zinc/32/34/09/950323409.db2.gz KJSCEFZEDTYENN-ABAIWWIYSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cncc(F)c1 ZINC001575907149 950327917 /nfs/dbraw/zinc/32/79/17/950327917.db2.gz LWKMPFLJRIUEGF-SJCJKPOMSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H](CC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574502086 950356927 /nfs/dbraw/zinc/35/69/27/950356927.db2.gz ITGHAPVAILVVIW-MNOVXSKESA-N 1 0 383.378 1.793 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CCCC1CCOCC1 ZINC001574989496 950367671 /nfs/dbraw/zinc/36/76/71/950367671.db2.gz ZVZVNBFEWDPSPH-ZDUSSCGKSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)C1CC(F)(F)C1 ZINC001575908553 950368750 /nfs/dbraw/zinc/36/87/50/950368750.db2.gz VBBUJHCKFSIHBK-IAQYHMDHSA-N 1 0 376.411 1.991 20 0 GDADRO CC(C)C[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574162090 950373305 /nfs/dbraw/zinc/37/33/05/950373305.db2.gz YYEZMANTVMOZJJ-AWEZNQCLSA-N 1 0 386.504 1.689 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575909209 950390491 /nfs/dbraw/zinc/39/04/91/950390491.db2.gz GBTLOARVFRVDMW-YVEFUNNKSA-N 1 0 392.467 1.860 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CCc1c(F)cccc1F ZINC001574991488 950407004 /nfs/dbraw/zinc/40/70/04/950407004.db2.gz MKEVBIXIZGCMDE-LLVKDONJSA-N 1 0 389.410 1.766 20 0 GDADRO C[C@@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576199320 950422334 /nfs/dbraw/zinc/42/23/34/950422334.db2.gz YHRGLHCSHRLGTD-ZBFHGGJFSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(Cl)no1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574750662 950433649 /nfs/dbraw/zinc/43/36/49/950433649.db2.gz FRINMFFPYZTYAZ-QMMMGPOBSA-N 1 0 381.849 1.820 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1ccncn1 ZINC001575911205 950438840 /nfs/dbraw/zinc/43/88/40/950438840.db2.gz NIDNBWZWHYFIIR-KDOFPFPSSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574507403 950454509 /nfs/dbraw/zinc/45/45/09/950454509.db2.gz IFTCLGTWZDEDCU-WBOJAVRRSA-N 1 0 385.472 1.196 20 0 GDADRO C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)n1cccn1 ZINC001574508051 950467763 /nfs/dbraw/zinc/46/77/63/950467763.db2.gz LWXRVIAHAYWZDN-QWHCGFSZSA-N 1 0 386.435 1.448 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@H](Nc2ncccc2-c2nn[nH]n2)C2CC2)CC1 ZINC001576204748 950472217 /nfs/dbraw/zinc/47/22/17/950472217.db2.gz BQMIQIVXJXGGMR-INIZCTEOSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CC1CCOCC1 ZINC001575912973 950472882 /nfs/dbraw/zinc/47/28/82/950472882.db2.gz SBRFGFNPIBDDCR-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(Cl)no1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574752667 950496483 /nfs/dbraw/zinc/49/64/83/950496483.db2.gz ZDMSXSLGQCPDGT-SNVBAGLBSA-N 1 0 375.820 1.758 20 0 GDADRO C[C@H](CN(C)c1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576205097 950497331 /nfs/dbraw/zinc/49/73/31/950497331.db2.gz UANIQAKOWZUJJC-VXGBXAGGSA-N 1 0 392.895 1.198 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@](C)(CNc2ncccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205280 950508089 /nfs/dbraw/zinc/50/80/89/950508089.db2.gz WGDPOYAWGKGHHH-ORAYPTAESA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575608175 950513963 /nfs/dbraw/zinc/51/39/63/950513963.db2.gz NQYRHIJPDWAVRU-PJIJBLCYSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205427 950517225 /nfs/dbraw/zinc/51/72/25/950517225.db2.gz IWJLFQIQQWNFSY-BBRMVZONSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575608276 950517393 /nfs/dbraw/zinc/51/73/93/950517393.db2.gz PFTDOPCXSUASBU-DOXZYTNZSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001576205612 950526950 /nfs/dbraw/zinc/52/69/50/950526950.db2.gz KXFNCQXQOGYTRJ-MNOVXSKESA-N 1 0 378.868 1.174 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001576205776 950541301 /nfs/dbraw/zinc/54/13/01/950541301.db2.gz PAJHBXOHECGVQD-NWDGAFQWSA-N 1 0 392.895 1.198 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753839 950544124 /nfs/dbraw/zinc/54/41/24/950544124.db2.gz UFCBUHBIVRUCLR-SNVBAGLBSA-N 1 0 388.382 1.589 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574997887 950554404 /nfs/dbraw/zinc/55/44/04/950554404.db2.gz YYSKGKQFSPXSGZ-NSHDSACASA-N 1 0 383.460 1.537 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)on1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574998794 950559357 /nfs/dbraw/zinc/55/93/57/950559357.db2.gz AAKWHTKEMZCCHO-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)CCOCC1 ZINC001575615004 950564121 /nfs/dbraw/zinc/56/41/21/950564121.db2.gz YOKYLTUOJMWILB-FVQHAEBGSA-N 1 0 382.468 1.230 20 0 GDADRO C[C@@H](CNc1nc(Cl)c(-c2nn[nH]n2)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576207030 950586867 /nfs/dbraw/zinc/58/68/67/950586867.db2.gz BPMHZCNNRVMIDO-BDAKNGLRSA-N 1 0 384.897 1.235 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001573870455 950591609 /nfs/dbraw/zinc/59/16/09/950591609.db2.gz WPPYWDCNSDBTSR-DLBZAZTESA-N 1 0 384.484 1.715 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575000259 950597554 /nfs/dbraw/zinc/59/75/54/950597554.db2.gz BSPDICXLYJPALV-MRVPVSSYSA-N 1 0 380.865 1.223 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001573871009 950608732 /nfs/dbraw/zinc/60/87/32/950608732.db2.gz LQRFBFJYKRKIRZ-MRXNPFEDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[C@H]1CCCO1 ZINC001574516190 950631621 /nfs/dbraw/zinc/63/16/21/950631621.db2.gz GKDLKCLVXJSKCE-LMJFTQNUSA-N 1 0 383.456 1.018 20 0 GDADRO C[C@H](CNC(=O)c1cc(N(C)C)ccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575001490 950632451 /nfs/dbraw/zinc/63/24/51/950632451.db2.gz LPTUMABTULFPHT-CYBMUJFWSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)no1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575001906 950644464 /nfs/dbraw/zinc/64/44/64/950644464.db2.gz OMOQAOLSOOXCKE-MRVPVSSYSA-N 1 0 379.783 1.555 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575922655 950649842 /nfs/dbraw/zinc/64/98/42/950649842.db2.gz ACACJFKECPTMDT-GXFFZTMASA-N 1 0 380.412 1.264 20 0 GDADRO CC(C)CCC(=O)NCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001574179348 950703472 /nfs/dbraw/zinc/70/34/72/950703472.db2.gz HUXASVAREXGAIT-UHFFFAOYSA-N 1 0 387.492 1.085 20 0 GDADRO CC(C)n1cc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cn1 ZINC001574763532 950719181 /nfs/dbraw/zinc/71/91/81/950719181.db2.gz DHWHMQNWGRJBOQ-LBPRGKRZSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575927039 950729585 /nfs/dbraw/zinc/72/95/85/950729585.db2.gz NFCMTVPJJSWCFA-WCBMZHEXSA-N 1 0 390.860 1.509 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576216605 950738106 /nfs/dbraw/zinc/73/81/06/950738106.db2.gz DYQAVWQXTNCENK-GXSJLCMTSA-N 1 0 382.440 1.910 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cncs1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574763992 950739069 /nfs/dbraw/zinc/73/90/69/950739069.db2.gz OMAVNVKNMGZBMX-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnns1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574764448 950751828 /nfs/dbraw/zinc/75/18/28/950751828.db2.gz SWJBZPYRTCZFHI-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO CC(C)OCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574520866 950757303 /nfs/dbraw/zinc/75/73/03/950757303.db2.gz APCQLQPURAMPHJ-QWHCGFSZSA-N 1 0 378.452 1.804 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnc(C2CC2)o1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574764772 950761126 /nfs/dbraw/zinc/76/11/26/950761126.db2.gz YANVQBLCEAJAAT-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1cc[nH]n1 ZINC001574520939 950761682 /nfs/dbraw/zinc/76/16/82/950761682.db2.gz BHQSNTLLEKXSIH-VXGBXAGGSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cn1cccn1 ZINC001574521084 950764964 /nfs/dbraw/zinc/76/49/64/950764964.db2.gz CYRVCEWQQYDSQD-CHWSQXEVSA-N 1 0 386.435 1.275 20 0 GDADRO CC(C)n1cc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H]2C)cn1 ZINC001575927986 950769684 /nfs/dbraw/zinc/76/96/84/950769684.db2.gz XARJDHXQQHQMKA-IUODEOHRSA-N 1 0 381.444 1.176 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1ccc[nH]1 ZINC001574521507 950780620 /nfs/dbraw/zinc/78/06/20/950780620.db2.gz GKFCVTPGQKJEHC-QWHCGFSZSA-N 1 0 385.447 1.950 20 0 GDADRO CC(C)C(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576218384 950784824 /nfs/dbraw/zinc/78/48/24/950784824.db2.gz LQOXNTQAFIHWGM-FOIQADDNSA-N 1 0 384.484 1.715 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575632135 950788408 /nfs/dbraw/zinc/78/84/08/950788408.db2.gz BJNYFZKIEFULFR-HNNXBMFYSA-N 1 0 390.463 1.399 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@H](O)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575632154 950791601 /nfs/dbraw/zinc/79/16/01/950791601.db2.gz CEIHUFLEYINEFY-OAHLLOKOSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576218832 950795872 /nfs/dbraw/zinc/79/58/72/950795872.db2.gz MTAHRJXVWHNGKP-ZWNOBZJWSA-N 1 0 382.390 1.845 20 0 GDADRO CC(C)(C)c1nc[nH]c1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573884695 950799189 /nfs/dbraw/zinc/79/91/89/950799189.db2.gz IYLILCWJJQURHJ-UHFFFAOYSA-N 1 0 381.444 1.079 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1ccc[nH]1 ZINC001574522889 950801988 /nfs/dbraw/zinc/80/19/88/950801988.db2.gz LPHFMZJJZDEVBP-QWHCGFSZSA-N 1 0 385.447 1.950 20 0 GDADRO CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573884727 950803877 /nfs/dbraw/zinc/80/38/77/950803877.db2.gz KDSNHUUAHLQNSD-LLVKDONJSA-N 1 0 381.444 1.031 20 0 GDADRO CC(C)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574186503 950811456 /nfs/dbraw/zinc/81/14/56/950811456.db2.gz FLXDHHMNDKMAJW-PBHICJAKSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574523869 950834916 /nfs/dbraw/zinc/83/49/16/950834916.db2.gz RNVJBUXKCMKPSN-OLZOCXBDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1ccn(C)n1 ZINC001574524400 950858342 /nfs/dbraw/zinc/85/83/42/950858342.db2.gz WFRVNMGYUBDKLY-ZIAGYGMSSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574767596 950858747 /nfs/dbraw/zinc/85/87/47/950858747.db2.gz SMHQKBJKGGTGPN-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO CC1(C)CC(C[NH2+][C@]2(CO)CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001575639631 950872930 /nfs/dbraw/zinc/87/29/30/950872930.db2.gz UQRQULJOBHUFTC-LJQANCHMSA-N 1 0 387.488 1.188 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574527491 950891426 /nfs/dbraw/zinc/89/14/26/950891426.db2.gz CJWHZIBJQZMXRU-VXGBXAGGSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cccc(=O)[nH]1 ZINC001574527707 950902066 /nfs/dbraw/zinc/90/20/66/950902066.db2.gz GCEADXDKOMGEAC-WDEREUQCSA-N 1 0 387.469 1.716 20 0 GDADRO CC(C)c1cnc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001574527900 950912650 /nfs/dbraw/zinc/91/26/50/950912650.db2.gz IJNVXJJEBUYDJT-NEPJUHHUSA-N 1 0 386.460 1.993 20 0 GDADRO CC(C)c1cnc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001574527901 950914654 /nfs/dbraw/zinc/91/46/54/950914654.db2.gz IJNVXJJEBUYDJT-NWDGAFQWSA-N 1 0 386.460 1.993 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccc(=O)[nH]n1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574528079 950923849 /nfs/dbraw/zinc/92/38/49/950923849.db2.gz KRWQMVJGRHBESX-ZJUUUORDSA-N 1 0 388.457 1.111 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCO1 ZINC001574771634 950931583 /nfs/dbraw/zinc/93/15/83/950931583.db2.gz IDOLINZDQUDHCK-SWLSCSKDSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnns1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574528427 950933678 /nfs/dbraw/zinc/93/36/78/950933678.db2.gz MNQIOEOVGBRMHQ-ZJUUUORDSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CO1 ZINC001575936988 950937700 /nfs/dbraw/zinc/93/77/00/950937700.db2.gz BVSXNWCIGVNJOW-CHWSQXEVSA-N 1 0 378.502 1.634 20 0 GDADRO CC1(C)C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+](C[C@H]2CCOC2)C1 ZINC001575642616 950953339 /nfs/dbraw/zinc/95/33/39/950953339.db2.gz VXTBSMLXRHPTCL-UKRRQHHQSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574529652 950956721 /nfs/dbraw/zinc/95/67/21/950956721.db2.gz RJTJOKMUPUYLBL-STQMWFEESA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cncnc1 ZINC001574530040 950968253 /nfs/dbraw/zinc/96/82/53/950968253.db2.gz SPJGDIZPZROUBZ-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CCO1 ZINC001575938933 950996240 /nfs/dbraw/zinc/99/62/40/950996240.db2.gz NTRMTJUYAQUVDP-KGLIPLIRSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574773951 950998260 /nfs/dbraw/zinc/99/82/60/950998260.db2.gz AABIHCQXUWRXRW-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CO1 ZINC001575939076 951001034 /nfs/dbraw/zinc/00/10/34/951001034.db2.gz OUIREGFGGYLZJL-CHWSQXEVSA-N 1 0 392.529 1.927 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccnn1C ZINC001574530825 951003007 /nfs/dbraw/zinc/00/30/07/951003007.db2.gz XNHIDSFLIRFZDG-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2n[nH]cc2c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575025175 951127386 /nfs/dbraw/zinc/12/73/86/951127386.db2.gz WTJXSLYNINLMQG-LBPRGKRZSA-N 1 0 376.424 1.651 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc2ccnn21)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575034039 951238211 /nfs/dbraw/zinc/23/82/11/951238211.db2.gz HVDXSHRAYFTUPL-ZDUSSCGKSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@@H](CNC(=O)c1ccnn1C1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575034631 951254399 /nfs/dbraw/zinc/25/43/99/951254399.db2.gz OZKRMUOTLZRBKV-LBPRGKRZSA-N 1 0 381.444 1.226 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001575035549 951276312 /nfs/dbraw/zinc/27/63/12/951276312.db2.gz KLJRJBRVTHQEIC-LBPRGKRZSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@H](CNC(=O)c1ccoc1Br)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575039117 951325266 /nfs/dbraw/zinc/32/52/66/951325266.db2.gz NSHAXZGEHABTNB-MRVPVSSYSA-N 1 0 392.217 1.270 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1Cl)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575041983 951357471 /nfs/dbraw/zinc/35/74/71/951357471.db2.gz FLGZPTSZDQYMHV-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575042571 951367046 /nfs/dbraw/zinc/36/70/46/951367046.db2.gz AGBGGNJMNUQHCQ-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](CNC(=O)c1cnc(Cl)n1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575044790 951418014 /nfs/dbraw/zinc/41/80/14/951418014.db2.gz VCJQMJCDCOGNHK-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cn1 ZINC001575051981 951459915 /nfs/dbraw/zinc/45/99/15/951459915.db2.gz CPVPTECWAFCHFW-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@H](CNC(=O)c1conc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575058005 951531957 /nfs/dbraw/zinc/53/19/57/951531957.db2.gz UAJZZPYYLMCCAG-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1occ2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575067504 951613194 /nfs/dbraw/zinc/61/31/94/951613194.db2.gz UJDQZQXBJZYDCE-NSHDSACASA-N 1 0 384.415 1.996 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(CO)ccc1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575077242 951664577 /nfs/dbraw/zinc/66/45/77/951664577.db2.gz BATHXKALNIMJPB-LLVKDONJSA-N 1 0 387.419 1.077 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077517 951671710 /nfs/dbraw/zinc/67/17/10/951671710.db2.gz FZAOIQSIKCEZAL-WQFMGJDKSA-N 1 0 388.447 1.415 20 0 GDADRO O=C([O-])C[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001595079927 951672014 /nfs/dbraw/zinc/67/20/14/951672014.db2.gz YPCOTSFMNBADHZ-SFHVURJKSA-N 1 0 375.469 1.926 20 0 GDADRO C[C@@H](CNC(=O)[C@]1(C)CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078796 951684721 /nfs/dbraw/zinc/68/47/21/951684721.db2.gz ABMYWTKFJHAMGS-BFUOFWGJSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H](C)n1cccn1 ZINC001575079583 951693714 /nfs/dbraw/zinc/69/37/14/951693714.db2.gz RQOROJQRLOOZSB-STQMWFEESA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccncc1F ZINC001575079896 951699464 /nfs/dbraw/zinc/69/94/64/951699464.db2.gz SLVRKTIZTJEJRB-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCc1cn[nH]c1 ZINC001575079934 951700590 /nfs/dbraw/zinc/70/05/90/951700590.db2.gz TVTCUWHSJUSRPC-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575080143 951704606 /nfs/dbraw/zinc/70/46/06/951704606.db2.gz WEIXVAFYJONDOH-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]cc1F)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080123 951704796 /nfs/dbraw/zinc/70/47/96/951704796.db2.gz VKSJYGPWGBVOHK-VIFPVBQESA-N 1 0 376.371 1.024 20 0 GDADRO C[C@H](C[NH2+]C[C@H](O)C1CCCCC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575080189 951705538 /nfs/dbraw/zinc/70/55/38/951705538.db2.gz PKBCBMCTYCUZRK-WBMJQRKESA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080386 951707593 /nfs/dbraw/zinc/70/75/93/951707593.db2.gz KSIIAFLPBUAAHK-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)c1ccncc1F)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080756 951714920 /nfs/dbraw/zinc/71/49/20/951714920.db2.gz ZFQCWLMUVAPEOQ-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCC1(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080830 951715833 /nfs/dbraw/zinc/71/58/33/951715833.db2.gz NSOQGIYBBDPIAI-ZWNOBZJWSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081585 951724116 /nfs/dbraw/zinc/72/41/16/951724116.db2.gz QMXGLPRNGXLVMU-ZFWWWQNUSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)CCn1cccn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081823 951726919 /nfs/dbraw/zinc/72/69/19/951726919.db2.gz WBKDSMFJOMPOME-ZDUSSCGKSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575088587 951741954 /nfs/dbraw/zinc/74/19/54/951741954.db2.gz BQSSFQXWONZMSK-YJYMSZOUSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1cnsn1)C1CC1 ZINC001575089314 951747009 /nfs/dbraw/zinc/74/70/09/951747009.db2.gz FXDMVQASUIMIHD-QGZVFWFLSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1cnccn1)C1CC1 ZINC001575089373 951748463 /nfs/dbraw/zinc/74/84/63/951748463.db2.gz GWXZBENWESZWCZ-IBGZPJMESA-N 1 0 378.440 1.345 20 0 GDADRO C[C@H](CNC(=O)c1nccs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089548 951751057 /nfs/dbraw/zinc/75/10/57/951751057.db2.gz GNOPPUWRHICECG-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001575091274 951773213 /nfs/dbraw/zinc/77/32/13/951773213.db2.gz PNHWMDUMYAWATP-HXUWFJFHSA-N 1 0 382.468 1.588 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575091347 951773501 /nfs/dbraw/zinc/77/35/01/951773501.db2.gz RUSWAIHOLMSLNL-KPZWWZAWSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@H](CNC(=O)CCc1ccnn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091277 951773678 /nfs/dbraw/zinc/77/36/78/951773678.db2.gz PPZNAUICHAJGAI-AWEZNQCLSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091502 951776854 /nfs/dbraw/zinc/77/68/54/951776854.db2.gz SWRBCXPJZBOGJV-LRDDRELGSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575091733 951781645 /nfs/dbraw/zinc/78/16/45/951781645.db2.gz XCRLMWBNJXUEPF-SGTLLEGYSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1ccncn1 ZINC001575093383 951799013 /nfs/dbraw/zinc/79/90/13/951799013.db2.gz ILCJCKSWHRAYDM-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001575093836 951801748 /nfs/dbraw/zinc/80/17/48/951801748.db2.gz LDKUCNDINPYXAO-ZDUSSCGKSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575095719 951813546 /nfs/dbraw/zinc/81/35/46/951813546.db2.gz VYKWWBRZSQSDTG-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001575098385 951820828 /nfs/dbraw/zinc/82/08/28/951820828.db2.gz CBLNTSQYTDFYMN-GXTWGEPZSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098737 951826728 /nfs/dbraw/zinc/82/67/28/951826728.db2.gz FTIWZQNZAQCSOG-QWHCGFSZSA-N 1 0 378.502 1.587 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1nccn1C ZINC001575099029 951828365 /nfs/dbraw/zinc/82/83/65/951828365.db2.gz HKINZEGKKHCGSN-GFCCVEGCSA-N 1 0 388.501 1.231 20 0 GDADRO C[C@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100938 951850544 /nfs/dbraw/zinc/85/05/44/951850544.db2.gz XGEABGLHQQKEOD-APPDUMDISA-N 1 0 378.502 1.321 20 0 GDADRO CC(C)n1ccc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001575101363 951857670 /nfs/dbraw/zinc/85/76/70/951857670.db2.gz CHRKIGNWJOYTAT-GFCCVEGCSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575101396 951857729 /nfs/dbraw/zinc/85/77/29/951857729.db2.gz CZPNLATYPWUUGG-UNJBNNCHSA-N 1 0 376.486 1.432 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101642 951861644 /nfs/dbraw/zinc/86/16/44/951861644.db2.gz HRGLMPICKPAZPO-USWWRNFRSA-N 1 0 382.390 1.749 20 0 GDADRO C[C@@H](CNC(=O)C1CCOCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101534 951861759 /nfs/dbraw/zinc/86/17/59/951861759.db2.gz GUAKBXMDUCJBIA-GFCCVEGCSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCCCO1 ZINC001575101545 951862621 /nfs/dbraw/zinc/86/26/21/951862621.db2.gz HAXTVXCAPIZMJQ-LRDDRELGSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001575103454 951876426 /nfs/dbraw/zinc/87/64/26/951876426.db2.gz UNNVSMVSCOZIOT-LLVKDONJSA-N 1 0 386.485 1.321 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575103995 951880399 /nfs/dbraw/zinc/88/03/99/951880399.db2.gz AIYWEIDBGJGBLO-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc2ncccc2c1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575106817 951908335 /nfs/dbraw/zinc/90/83/35/951908335.db2.gz VAYBPIPMDQCDGP-ZDUSSCGKSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@H](CNC(=O)c1cnn2c1CCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107571 951919215 /nfs/dbraw/zinc/91/92/15/951919215.db2.gz GBOWSKBWMXNDPN-ZDUSSCGKSA-N 1 0 380.456 1.165 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001575107657 951921248 /nfs/dbraw/zinc/92/12/48/951921248.db2.gz HEZZGRLRUYXXBR-CQSZACIVSA-N 1 0 382.472 1.800 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CCF)c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109761 951933667 /nfs/dbraw/zinc/93/36/67/951933667.db2.gz VAGWAZGZFLGKHL-CYBMUJFWSA-N 1 0 386.435 1.188 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114100 951952251 /nfs/dbraw/zinc/95/22/51/951952251.db2.gz MPQOROQMSCEHNL-DAXOMENPSA-N 1 0 380.456 1.235 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001575115770 951967175 /nfs/dbraw/zinc/96/71/75/951967175.db2.gz YSVSPXXLAJQQJC-FQEVSTJZSA-N 1 0 379.468 1.812 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1noc2c1CCCC2 ZINC001575117014 951975213 /nfs/dbraw/zinc/97/52/13/951975213.db2.gz KFTDUBSXOYJYIU-LLVKDONJSA-N 1 0 384.444 1.217 20 0 GDADRO C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575121772 951998810 /nfs/dbraw/zinc/99/88/10/951998810.db2.gz HHUOGBKEYVJEDR-OAHLLOKOSA-N 1 0 386.504 1.787 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575143933 952159202 /nfs/dbraw/zinc/15/92/02/952159202.db2.gz DTCQOQFWXLLLJO-LIRRHRJNSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575143932 952159659 /nfs/dbraw/zinc/15/96/59/952159659.db2.gz DTCQOQFWXLLLJO-KUHUBIRLSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575144663 952169291 /nfs/dbraw/zinc/16/92/91/952169291.db2.gz KCPGZKKNLBKHJK-FQEVSTJZSA-N 1 0 377.452 1.623 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575146001 952190630 /nfs/dbraw/zinc/19/06/30/952190630.db2.gz FMTCWKVKNVXEGF-IAQYHMDHSA-N 1 0 381.415 1.421 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575146196 952191074 /nfs/dbraw/zinc/19/10/74/952191074.db2.gz HURNRYQFZMDVFE-GFCCVEGCSA-N 1 0 381.440 1.728 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575146383 952192605 /nfs/dbraw/zinc/19/26/05/952192605.db2.gz JUTNBNPHQZOVMJ-ZDUSSCGKSA-N 1 0 380.456 1.394 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575147914 952201922 /nfs/dbraw/zinc/20/19/22/952201922.db2.gz WXKNREYSHWRRAU-CYBMUJFWSA-N 1 0 380.456 1.322 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575148136 952202503 /nfs/dbraw/zinc/20/25/03/952202503.db2.gz XUROGJFAJADOBP-NSHDSACASA-N 1 0 382.428 1.197 20 0 GDADRO C[C@H](CNc1nc(Cl)c(-c2nn[nH]n2)s1)N(C)C(=O)C[NH+]1CCCC1 ZINC001575164730 952298708 /nfs/dbraw/zinc/29/87/08/952298708.db2.gz GZAIWZQDZNHQPG-SECBINFHSA-N 1 0 384.897 1.331 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575166275 952323865 /nfs/dbraw/zinc/32/38/65/952323865.db2.gz UKFIGCGOXIXQLE-VXGBXAGGSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575195934 952474560 /nfs/dbraw/zinc/47/45/60/952474560.db2.gz DJWLLAMNEMVRGK-ZIAGYGMSSA-N 1 0 381.440 1.558 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC([C@H]2CCC[N@H+]2CCCF)CC1 ZINC001571116832 952477848 /nfs/dbraw/zinc/47/78/48/952477848.db2.gz DGMBCOKZRZNIKM-MRXNPFEDSA-N 1 0 375.452 1.871 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)c1cccnc1 ZINC001571116839 952478674 /nfs/dbraw/zinc/47/86/74/952478674.db2.gz DMQAFMWWYIIQOW-NNZMDNLPSA-N 1 0 375.436 1.370 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC([C@@H]2CCC[N@H+]2CCCF)CC1 ZINC001571116831 952478776 /nfs/dbraw/zinc/47/87/76/952478776.db2.gz DGMBCOKZRZNIKM-INIZCTEOSA-N 1 0 375.452 1.871 20 0 GDADRO CC[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571117549 952483187 /nfs/dbraw/zinc/48/31/87/952483187.db2.gz MXBHLEJMGYZBKT-KCPJHIHWSA-N 1 0 375.452 1.605 20 0 GDADRO CC[C@H](C(=O)N1CCC(Nc2cccc(F)c2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001571118365 952488731 /nfs/dbraw/zinc/48/87/31/952488731.db2.gz WEKNHXMEGPAKJT-OAHLLOKOSA-N 1 0 375.452 1.749 20 0 GDADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCC1(F)F ZINC001571120194 952500302 /nfs/dbraw/zinc/50/03/02/952500302.db2.gz KVHJKZNZDSIRMX-DOMZBBRYSA-N 1 0 376.411 1.850 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1C[C@@H]1C(F)F ZINC001571121133 952516004 /nfs/dbraw/zinc/51/60/04/952516004.db2.gz WVBOGRVEYAYAAW-SNPRPXQTSA-N 1 0 376.411 1.849 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(C)C ZINC001571121595 952521139 /nfs/dbraw/zinc/52/11/39/952521139.db2.gz AIBPXNLURNQZAF-CZUORRHYSA-N 1 0 376.436 1.367 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)[C@H]1CCCO1 ZINC001571121697 952522128 /nfs/dbraw/zinc/52/21/28/952522128.db2.gz BQVJMVUYPPHNBG-CQSZACIVSA-N 1 0 376.486 1.435 20 0 GDADRO CC(F)(F)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575210318 952538474 /nfs/dbraw/zinc/53/84/74/952538474.db2.gz BHXXCTURHNWJOZ-LLVKDONJSA-N 1 0 382.390 1.989 20 0 GDADRO CC(F)(F)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575212934 952556522 /nfs/dbraw/zinc/55/65/22/952556522.db2.gz ORUPZJZPEDYOSO-OAHLLOKOSA-N 1 0 386.428 1.027 20 0 GDADRO Cc1cnccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571128105 952563531 /nfs/dbraw/zinc/56/35/31/952563531.db2.gz PNRDOANUKKIZPG-QGZVFWFLSA-N 1 0 377.452 1.917 20 0 GDADRO Cc1cc(N2CCC(C)(NC(=O)c3ccccn3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134184 952587727 /nfs/dbraw/zinc/58/77/27/952587727.db2.gz BSNGGUKVTIAHOB-UHFFFAOYSA-N 1 0 378.440 1.754 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3cc(C)c(C)cn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134461 952590482 /nfs/dbraw/zinc/59/04/82/952590482.db2.gz IKEGAFZQKUXVFR-CQSZACIVSA-N 1 0 378.440 1.330 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)ncn1 ZINC001571134710 952593957 /nfs/dbraw/zinc/59/39/57/952593957.db2.gz KHCOQYFSHSQGSK-HNNXBMFYSA-N 1 0 378.440 1.217 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cncnc1 ZINC001571134697 952594325 /nfs/dbraw/zinc/59/43/25/952594325.db2.gz JVKPYNIBRHSVMF-CXAGYDPISA-N 1 0 378.440 1.440 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)Cc3cccnc3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134982 952598507 /nfs/dbraw/zinc/59/85/07/952598507.db2.gz PMCSCOZSRJEHFX-CZUORRHYSA-N 1 0 378.440 1.031 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)Cc3cccnc3)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134978 952598748 /nfs/dbraw/zinc/59/87/48/952598748.db2.gz PMCSCOZSRJEHFX-BBRMVZONSA-N 1 0 378.440 1.031 20 0 GDADRO Cc1cnc(C(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H](C)C2)c(C)c1 ZINC001571135139 952600918 /nfs/dbraw/zinc/60/09/18/952600918.db2.gz SEVTUWMOHLQOSP-BBRMVZONSA-N 1 0 378.440 1.268 20 0 GDADRO Cc1cc(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@H]2C)cnn1 ZINC001571135432 952603737 /nfs/dbraw/zinc/60/37/37/952603737.db2.gz VUHHPWMKJFJKRX-CZUORRHYSA-N 1 0 378.440 1.358 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)cnn1 ZINC001571135613 952606184 /nfs/dbraw/zinc/60/61/84/952606184.db2.gz YQLHVNBSQCGVSD-QGZVFWFLSA-N 1 0 378.440 1.360 20 0 GDADRO Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)n1 ZINC001571135630 952607062 /nfs/dbraw/zinc/60/70/62/952607062.db2.gz ZJZODPBTGCIWRT-JKSUJKDBSA-N 1 0 378.440 1.245 20 0 GDADRO C[C@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)c2ccccc2O)C1 ZINC001571140708 952627693 /nfs/dbraw/zinc/62/76/93/952627693.db2.gz FAFKTUCNINZOIB-LJQANCHMSA-N 1 0 379.424 1.354 20 0 GDADRO Cc1ncncc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571141096 952630368 /nfs/dbraw/zinc/63/03/68/952630368.db2.gz GRVPXQUIUXUFEA-FZNQNYSPSA-N 1 0 378.440 1.263 20 0 GDADRO CN(C(=O)c1ncccc1O)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571141799 952636989 /nfs/dbraw/zinc/63/69/89/952636989.db2.gz MTAKXVUGNWSWOW-UHFFFAOYSA-N 1 0 379.424 1.360 20 0 GDADRO O=C(c1c[nH]cc1C1CC1)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571142274 952639994 /nfs/dbraw/zinc/63/99/94/952639994.db2.gz NYQGZADBHMWOGP-CYBMUJFWSA-N 1 0 378.440 1.606 20 0 GDADRO CC[C@H](SC)C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571142527 952643286 /nfs/dbraw/zinc/64/32/86/952643286.db2.gz UBQITJJTYXRTGR-HIFRSBDPSA-N 1 0 378.477 1.838 20 0 GDADRO O=C(Cc1ccc[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571151036 952672757 /nfs/dbraw/zinc/67/27/57/952672757.db2.gz JLMZKJWZUVRYGO-QZTJIDSGSA-N 1 0 379.468 1.955 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CC1(F)F ZINC001571153956 952688332 /nfs/dbraw/zinc/68/83/32/952688332.db2.gz WYRULJGQHNHVIH-DGCLKSJQSA-N 1 0 380.374 1.742 20 0 GDADRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C(F)F)cc1-c1nn[nH]n1 ZINC001571155395 952697217 /nfs/dbraw/zinc/69/72/17/952697217.db2.gz QMEQGCMNJNCGOI-LBPRGKRZSA-N 1 0 380.399 1.611 20 0 GDADRO O=C(c1ccon1)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571160872 952728713 /nfs/dbraw/zinc/72/87/13/952728713.db2.gz NUXJUERTOCATTP-SGTLLEGYSA-N 1 0 380.412 1.026 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001571167008 952769079 /nfs/dbraw/zinc/76/90/79/952769079.db2.gz SHEUHEAJARIVOW-BBRMVZONSA-N 1 0 380.456 1.094 20 0 GDADRO CCc1cc(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C)[nH]n1 ZINC001571167234 952770985 /nfs/dbraw/zinc/77/09/85/952770985.db2.gz ZLUAUQVJDRUVCB-BLLLJJGKSA-N 1 0 380.456 1.545 20 0 GDADRO CCn1nccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169338 952772159 /nfs/dbraw/zinc/77/21/59/952772159.db2.gz ABKITKUUQDONRY-INIZCTEOSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c(C)n1 ZINC001571169447 952773796 /nfs/dbraw/zinc/77/37/96/952773796.db2.gz CPICWPJITCPZEN-SAZUREKKSA-N 1 0 380.456 1.505 20 0 GDADRO CCn1cccc1C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571169582 952775893 /nfs/dbraw/zinc/77/58/93/952775893.db2.gz HBJXWCZQNGIGBV-LJQANCHMSA-N 1 0 380.456 1.469 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]n1 ZINC001571169737 952778531 /nfs/dbraw/zinc/77/85/31/952778531.db2.gz LKKVCVQQOJYHMN-CZUORRHYSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1cccnc1C[N@@H+]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C(C)(C)C1 ZINC001571169765 952778700 /nfs/dbraw/zinc/77/87/00/952778700.db2.gz MHYCQGLJYVFZGS-INIZCTEOSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1nc(C(=O)N2C[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@H](C)C2)c[nH]1 ZINC001571170157 952783997 /nfs/dbraw/zinc/78/39/97/952783997.db2.gz UHRLHUKEZXGKPY-MLGOLLRUSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571170597 952787292 /nfs/dbraw/zinc/78/72/92/952787292.db2.gz XEXBTVRNIPRAEQ-BLLLJJGKSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571170544 952787507 /nfs/dbraw/zinc/78/75/07/952787507.db2.gz WHFMOTFHGHKGIK-INIZCTEOSA-N 1 0 380.456 1.140 20 0 GDADRO Cc1ccncc1C[N@H+](C)C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571170849 952789539 /nfs/dbraw/zinc/78/95/39/952789539.db2.gz XSZPCVCXBGTCHM-MRXNPFEDSA-N 1 0 380.456 1.635 20 0 GDADRO CCn1nccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571170933 952791037 /nfs/dbraw/zinc/79/10/37/952791037.db2.gz ZWRJLIYBJFYNAB-INIZCTEOSA-N 1 0 380.456 1.430 20 0 GDADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(Br)ccc1-c1nn[nH]n1 ZINC001571172108 952801370 /nfs/dbraw/zinc/80/13/70/952801370.db2.gz MKVMNMAZUOVALL-QWRGUYRKSA-N 1 0 381.278 1.521 20 0 GDADRO CS[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](C)C1 ZINC001571172871 952809710 /nfs/dbraw/zinc/80/97/10/952809710.db2.gz ZXVBOIAICSJNJK-GRYCIOLGSA-N 1 0 380.543 1.864 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571179217 952850680 /nfs/dbraw/zinc/85/06/80/952850680.db2.gz ACNFPWSCRXGOAQ-PIGZYNQJSA-N 1 0 381.440 1.395 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCCO[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001571179247 952851758 /nfs/dbraw/zinc/85/17/58/952851758.db2.gz ANADHPGLYXAJHL-OAHLLOKOSA-N 1 0 381.440 1.216 20 0 GDADRO Cc1ocnc1C(=O)N[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C ZINC001571179266 952851768 /nfs/dbraw/zinc/85/17/68/952851768.db2.gz AVPJWILGMSYNLM-HNNXBMFYSA-N 1 0 381.440 1.804 20 0 GDADRO O=C(Cc1cnoc1)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571179319 952852247 /nfs/dbraw/zinc/85/22/47/952852247.db2.gz BLIQKRAGXLDLNW-MRXNPFEDSA-N 1 0 381.440 1.568 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC001571179643 952854866 /nfs/dbraw/zinc/85/48/66/952854866.db2.gz HVHRRKFJZGSCHQ-OAHLLOKOSA-N 1 0 381.440 1.805 20 0 GDADRO O=C(Cc1cnoc1)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571179912 952856198 /nfs/dbraw/zinc/85/61/98/952856198.db2.gz KDPRPBNNLQIAEQ-IAGOWNOFSA-N 1 0 381.440 1.472 20 0 GDADRO CC(C)n1cc(C(=O)N2C[C@@H](C)[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001571180479 952860493 /nfs/dbraw/zinc/86/04/93/952860493.db2.gz PFHVRXVLLIKPIQ-MLGOLLRUSA-N 1 0 381.444 1.034 20 0 GDADRO Cc1cnoc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC001571181752 952863981 /nfs/dbraw/zinc/86/39/81/952863981.db2.gz XUORSKAQXAZSJZ-CJNGLKHVSA-N 1 0 381.440 1.946 20 0 GDADRO COc1cccc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571182653 952867251 /nfs/dbraw/zinc/86/72/51/952867251.db2.gz AJAFQYHASDPECU-SWLSCSKDSA-N 1 0 381.440 1.769 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)Cc2ccon2)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571182803 952870059 /nfs/dbraw/zinc/87/00/59/952870059.db2.gz GFLOMNFBAQDEML-BBRMVZONSA-N 1 0 381.440 1.567 20 0 GDADRO O=C(c1ccc(F)cn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571182888 952871055 /nfs/dbraw/zinc/87/10/55/952871055.db2.gz ISOZHCIRAFRICB-MRXNPFEDSA-N 1 0 381.415 1.795 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC2(C1)CC[N@@H+](Cc1ccccc1F)C2 ZINC001571183002 952871534 /nfs/dbraw/zinc/87/15/34/952871534.db2.gz LVFZKTDBKXXCOL-UHFFFAOYSA-N 1 0 381.415 1.682 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571183307 952876130 /nfs/dbraw/zinc/87/61/30/952876130.db2.gz WNMOBGQQEWEKBA-QKDCVEJESA-N 1 0 381.415 1.442 20 0 GDADRO CCc1ocnc1C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571183379 952877174 /nfs/dbraw/zinc/87/71/74/952877174.db2.gz ZAJAUSXSDWPJOQ-DOMZBBRYSA-N 1 0 381.440 1.810 20 0 GDADRO C[C@@H](NC(=O)c1nnc[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571183624 952881244 /nfs/dbraw/zinc/88/12/44/952881244.db2.gz GIXQCSKGSNGOSJ-CHWSQXEVSA-N 1 0 381.444 1.015 20 0 GDADRO C[C@@H]([NH2+]CC1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)c1ncccn1 ZINC001571183980 952886157 /nfs/dbraw/zinc/88/61/57/952886157.db2.gz OBTXJMFWIAJKBO-GFCCVEGCSA-N 1 0 381.444 1.188 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)[nH]1 ZINC001571187773 952910008 /nfs/dbraw/zinc/91/00/08/952910008.db2.gz BVZYVDABCUHSIT-CYBMUJFWSA-N 1 0 381.444 1.309 20 0 GDADRO Cc1nn[nH]c1C(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571187746 952910655 /nfs/dbraw/zinc/91/06/55/952910655.db2.gz BMWLKTFTXAYPCA-GJZGRUSLSA-N 1 0 381.444 1.124 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)c3ccnn3C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188678 952918284 /nfs/dbraw/zinc/91/82/84/952918284.db2.gz MNJTYBHKPDPGHH-OCCSQVGLSA-N 1 0 381.444 1.091 20 0 GDADRO O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ncccn1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571189770 952934784 /nfs/dbraw/zinc/93/47/84/952934784.db2.gz UEGPHZLSSIJKQZ-TZMCWYRMSA-N 1 0 381.444 1.063 20 0 GDADRO Cc1cc(N2C[C@@H](CNC(=O)[C@@H]3CC34CCC4)[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571191055 952944754 /nfs/dbraw/zinc/94/47/54/952944754.db2.gz NKMJYWZBOHOMLV-XPKDYRNWSA-N 1 0 381.484 1.949 20 0 GDADRO Cc1cc(N(C)[C@@H]2CCN(C(=O)c3cncc(F)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571195584 952977322 /nfs/dbraw/zinc/97/73/22/952977322.db2.gz CBKVOVPGBGWDKB-CQSZACIVSA-N 1 0 382.403 1.455 20 0 GDADRO CCc1ncoc1C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571199554 953001861 /nfs/dbraw/zinc/00/18/61/953001861.db2.gz UXVOSHQUAFIBMO-AWEZNQCLSA-N 1 0 382.428 1.197 20 0 GDADRO Cc1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)CC[C@H]32)o1 ZINC001571201299 953016066 /nfs/dbraw/zinc/01/60/66/953016066.db2.gz JUBKJDNFOLCRKW-IUODEOHRSA-N 1 0 382.428 1.228 20 0 GDADRO Cc1nocc1C[NH2+]C1CC2(CC(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001571204606 953031330 /nfs/dbraw/zinc/03/13/30/953031330.db2.gz AKWYILISKWXHBN-UHFFFAOYSA-N 1 0 382.428 1.322 20 0 GDADRO Cc1ncoc1C[NH2+][C@@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 ZINC001571204925 953034195 /nfs/dbraw/zinc/03/41/95/953034195.db2.gz DHLHCQVZNCGNBR-CABCVRRESA-N 1 0 382.428 1.322 20 0 GDADRO Cc1oncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571204983 953034916 /nfs/dbraw/zinc/03/49/16/953034916.db2.gz FCXZJWZIBAKGMS-KSSFIOAISA-N 1 0 382.428 1.276 20 0 GDADRO Cc1noc(C)c1C[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C1 ZINC001571207207 953061200 /nfs/dbraw/zinc/06/12/00/953061200.db2.gz XDLSWBVTYZQWKR-OKILXGFUSA-N 1 0 382.428 1.004 20 0 GDADRO O=C(C[C@@H]1CCOC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571209758 953066788 /nfs/dbraw/zinc/06/67/88/953066788.db2.gz CVXACEDMVCXDKA-BHYGNILZSA-N 1 0 382.468 1.469 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ccc(=O)[nH]c1 ZINC001571217329 953107487 /nfs/dbraw/zinc/10/74/87/953107487.db2.gz IHBNADQEPHJCHW-HDJSIYSDSA-N 1 0 383.387 1.157 20 0 GDADRO COc1nc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571219339 953124785 /nfs/dbraw/zinc/12/47/85/953124785.db2.gz NUXAMZLXLHXCQZ-SMDDNHRTSA-N 1 0 383.412 1.114 20 0 GDADRO COc1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571219945 953128664 /nfs/dbraw/zinc/12/86/64/953128664.db2.gz UNPFFFPXHARWQS-CQSZACIVSA-N 1 0 383.412 1.258 20 0 GDADRO Cc1c[nH]cc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571229167 953168727 /nfs/dbraw/zinc/16/87/27/953168727.db2.gz AAEPGDQVXXOVIL-JNSHFYNHSA-N 1 0 383.431 1.941 20 0 GDADRO Cn1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)c1 ZINC001571230315 953175807 /nfs/dbraw/zinc/17/58/07/953175807.db2.gz UUWBJCWYJMHWRL-YGUOUDRMSA-N 1 0 383.431 1.643 20 0 GDADRO Cc1ccc(F)c(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571230310 953176200 /nfs/dbraw/zinc/17/62/00/953176200.db2.gz USAULZVHEHWYBP-MQMHXKEQSA-N 1 0 383.431 1.941 20 0 GDADRO Cn1cccc1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571230624 953178665 /nfs/dbraw/zinc/17/86/65/953178665.db2.gz YXGOHBRVSMPIJC-CQSZACIVSA-N 1 0 383.431 1.739 20 0 GDADRO O=C(Cc1cncs1)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571234112 953199309 /nfs/dbraw/zinc/19/93/09/953199309.db2.gz NGCOCEJJQPOGHR-UHFFFAOYSA-N 1 0 383.481 1.647 20 0 GDADRO O=C(c1ccncc1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571234264 953200814 /nfs/dbraw/zinc/20/08/14/953200814.db2.gz REQRWHHASHKFJJ-CYBMUJFWSA-N 1 0 383.481 1.965 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC2(C1)CC[N@H+](CCc1cccs1)C2 ZINC001571234377 953201717 /nfs/dbraw/zinc/20/17/17/953201717.db2.gz VTPKRKNYEJANIU-UHFFFAOYSA-N 1 0 383.481 1.647 20 0 GDADRO O=S(=O)(c1cccc(CNc2cc[nH+]cc2-c2nn[nH]n2)c1)C(F)(F)F ZINC001571234524 953202905 /nfs/dbraw/zinc/20/29/05/953202905.db2.gz AOECLBBSKFLHEI-UHFFFAOYSA-N 1 0 384.343 1.589 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571238913 953233931 /nfs/dbraw/zinc/23/39/31/953233931.db2.gz CCCYZLAQPZMZEG-ABAIWWIYSA-N 1 0 384.419 1.512 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239399 953238461 /nfs/dbraw/zinc/23/84/61/953238461.db2.gz KIOYPHAVKOJNBD-CYBMUJFWSA-N 1 0 384.419 1.432 20 0 GDADRO CN(C(=O)c1cc[nH]n1)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571239729 953242317 /nfs/dbraw/zinc/24/23/17/953242317.db2.gz RLCSKFNWUFIZKJ-UHFFFAOYSA-N 1 0 384.419 1.466 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1cn[nH]c1 ZINC001571241795 953249487 /nfs/dbraw/zinc/24/94/87/953249487.db2.gz LXLCKBUYJLVQED-GFCCVEGCSA-N 1 0 384.419 1.371 20 0 GDADRO CCc1nocc1C[NH2+]C[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571243139 953263633 /nfs/dbraw/zinc/26/36/33/953263633.db2.gz WZLVKQBJVJERKQ-CQSZACIVSA-N 1 0 384.444 1.530 20 0 GDADRO Cc1ncc(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571244693 953266188 /nfs/dbraw/zinc/26/61/88/953266188.db2.gz FFAAYWVRJXZOSU-GFCCVEGCSA-N 1 0 384.469 1.686 20 0 GDADRO Cc1ncsc1C(=O)NC[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571244726 953266681 /nfs/dbraw/zinc/26/66/81/953266681.db2.gz GMTWQCTYBHCFFO-HAQNSBGRSA-N 1 0 384.469 1.377 20 0 GDADRO CCc1nnsc1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571245214 953271298 /nfs/dbraw/zinc/27/12/98/953271298.db2.gz PJXMQTGVJCGTTM-ZDUSSCGKSA-N 1 0 384.469 1.285 20 0 GDADRO Cc1cc(NC[C@H]2CCCCN2C(=O)c2ccsn2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245570 953274242 /nfs/dbraw/zinc/27/42/42/953274242.db2.gz VQSFTCGCSNFMFM-GFCCVEGCSA-N 1 0 384.469 1.555 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)c3cncs3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245642 953275112 /nfs/dbraw/zinc/27/51/12/953275112.db2.gz XYHGLVJVUJAZHB-GFCCVEGCSA-N 1 0 384.469 1.816 20 0 GDADRO Cc1nsc(C)c1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571247608 953284663 /nfs/dbraw/zinc/28/46/63/953284663.db2.gz AXRFPNLLSPFIRN-UHFFFAOYSA-N 1 0 384.469 1.734 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCOC1 ZINC001571248125 953289909 /nfs/dbraw/zinc/28/99/09/953289909.db2.gz MDPLTXPSJXJGTR-MBOZVWFJSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571248241 953291395 /nfs/dbraw/zinc/29/13/95/953291395.db2.gz OMEIUTJEYJNEMV-WMLDXEAASA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H]1CO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001571248315 953291666 /nfs/dbraw/zinc/29/16/66/953291666.db2.gz QFJXDPLXEOBIJJ-GFOCRRMGSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001571249382 953304598 /nfs/dbraw/zinc/30/45/98/953304598.db2.gz IBAMMBSCZPHDFT-GOEBONIOSA-N 1 0 384.488 1.079 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3CC(C)C3)C2)cc1-c1nn[nH]n1 ZINC001571249429 953304698 /nfs/dbraw/zinc/30/46/98/953304698.db2.gz IZJVJNXUDJHAOV-SIWZUTFBSA-N 1 0 384.484 1.860 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001571250188 953308814 /nfs/dbraw/zinc/30/88/14/953308814.db2.gz ODHGEDXVHXVGNM-GDBMZVCRSA-N 1 0 384.488 1.221 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001571250271 953310004 /nfs/dbraw/zinc/31/00/04/953310004.db2.gz PVCZMUPXCZKNJF-CQSZACIVSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNc3ccc(-c4nn[nH]n4)nc3)[C@H](C)C2)C1 ZINC001571250646 953312680 /nfs/dbraw/zinc/31/26/80/953312680.db2.gz RKZZCJFDFHGJMW-RBSFLKMASA-N 1 0 384.488 1.110 20 0 GDADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC(O)CC1 ZINC001571250785 953312731 /nfs/dbraw/zinc/31/27/31/953312731.db2.gz SGEKCZUAYKRLQL-ZLPCBKJTSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571250841 953313082 /nfs/dbraw/zinc/31/30/82/953313082.db2.gz UANFETWEEGCOKG-GJZGRUSLSA-N 1 0 384.488 1.254 20 0 GDADRO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571251203 953315534 /nfs/dbraw/zinc/31/55/34/953315534.db2.gz SGKXJBNWUGYIAT-STQMWFEESA-N 1 0 384.444 1.694 20 0 GDADRO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)o1 ZINC001571251694 953319046 /nfs/dbraw/zinc/31/90/46/953319046.db2.gz UHQYXEGYUGPFMW-RWMBFGLXSA-N 1 0 384.444 1.741 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001571251952 953321434 /nfs/dbraw/zinc/32/14/34/953321434.db2.gz CLLOUOFKMIRCBE-GOEBONIOSA-N 1 0 384.488 1.139 20 0 GDADRO Cc1nc(NCC2CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571251960 953322109 /nfs/dbraw/zinc/32/21/09/953322109.db2.gz CUBASYOUHVBNPH-ZBCRRDGASA-N 1 0 384.488 1.361 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571252359 953327622 /nfs/dbraw/zinc/32/76/22/953327622.db2.gz LNJOWVJBJWXMRU-HUUCEWRRSA-N 1 0 384.488 1.539 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001571252672 953331832 /nfs/dbraw/zinc/33/18/32/953331832.db2.gz SYRTZBDDVDULSE-ZBFHGGJFSA-N 1 0 384.488 1.397 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2-c2nn[nH]n2)C1 ZINC001571252863 953333112 /nfs/dbraw/zinc/33/31/12/953333112.db2.gz XLWMBZUNOIMBRO-IIAWOOMASA-N 1 0 384.488 1.504 20 0 GDADRO Cc1nc(N2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571252864 953334030 /nfs/dbraw/zinc/33/40/30/953334030.db2.gz XMINUDZKMALTTA-GDBMZVCRSA-N 1 0 384.488 1.092 20 0 GDADRO Cc1conc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571254290 953337689 /nfs/dbraw/zinc/33/76/89/953337689.db2.gz FITUIBVKUCOOMJ-YEORSEQZSA-N 1 0 385.403 1.600 20 0 GDADRO O=C(c1cc(F)cc(F)c1)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571255920 953357114 /nfs/dbraw/zinc/35/71/14/953357114.db2.gz RNCSBVYCAIDNNO-UHFFFAOYSA-N 1 0 385.378 1.679 20 0 GDADRO Cc1cnoc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571256089 953363601 /nfs/dbraw/zinc/36/36/01/953363601.db2.gz XVUCETXEIAAOOL-YEORSEQZSA-N 1 0 385.403 1.600 20 0 GDADRO O=C(c1cnco1)N1CCC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001571256165 953365810 /nfs/dbraw/zinc/36/58/10/953365810.db2.gz ZOSKBMQQIJMTPT-UHFFFAOYSA-N 1 0 385.403 1.636 20 0 GDADRO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)[NH+]2CCCC2)cc1 ZINC000874389575 956136972 /nfs/dbraw/zinc/13/69/72/956136972.db2.gz MXVQWOOXEXKQQI-IBGZPJMESA-N 1 0 388.512 1.980 20 0 GDADRO C[C@@H](CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)[N@H+](C)Cc1ccccc1 ZINC000874393686 956146375 /nfs/dbraw/zinc/14/63/75/956146375.db2.gz NPKOCBKVOJJOFP-INIZCTEOSA-N 1 0 376.501 1.745 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874409910 956183581 /nfs/dbraw/zinc/18/35/81/956183581.db2.gz CHZYWNHDHICVPT-QGZVFWFLSA-N 1 0 376.501 1.942 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C[C@H]1C[NH+](C)C ZINC001121845094 957222015 /nfs/dbraw/zinc/22/20/15/957222015.db2.gz WKHWKCQGCIDONA-LTDCPUDJSA-N 1 0 388.512 1.680 20 0 GDADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](CC(=O)[O-])CC2)c1 ZINC001332348590 957755377 /nfs/dbraw/zinc/75/53/77/957755377.db2.gz PITPFFXLGJIYQF-UHFFFAOYSA-N 1 0 392.500 1.317 20 0 GDADRO Cc1cc(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)n(C2CC[NH+](C)CC2)n1 ZINC001594320968 958131415 /nfs/dbraw/zinc/13/14/15/958131415.db2.gz XILZWLYNTINXPR-UHFFFAOYSA-N 1 0 378.477 1.129 20 0 GDADRO C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC1 ZINC001573986517 961792307 /nfs/dbraw/zinc/79/23/07/961792307.db2.gz NCSIKRLFOYXWEV-INIZCTEOSA-N 1 0 378.517 1.696 20 0 GDADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c(OC)c1 ZINC001604812766 974051326 /nfs/dbraw/zinc/05/13/26/974051326.db2.gz HCBVRJFCHLBCCN-ZDUSSCGKSA-N 1 0 379.457 1.560 20 0 GDADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c(OC)c1 ZINC001604812765 974051507 /nfs/dbraw/zinc/05/15/07/974051507.db2.gz HCBVRJFCHLBCCN-CYBMUJFWSA-N 1 0 379.457 1.560 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC(C)(C(=O)[O-])CC3)cc2)CC1 ZINC001603767913 974216108 /nfs/dbraw/zinc/21/61/08/974216108.db2.gz HSZUWEGRLIMYKA-UHFFFAOYSA-N 1 0 388.512 1.954 20 0 GDADRO CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC001596265243 983683369 /nfs/dbraw/zinc/68/33/69/983683369.db2.gz KIMOWKMCYTVMEY-HUUCEWRRSA-N 1 0 375.460 1.512 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001594514743 985852403 /nfs/dbraw/zinc/85/24/03/985852403.db2.gz BRZXWMUUQDYVMH-IEBWSBKVSA-N 1 0 388.512 1.841 20 0 GDADRO CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001589623886 987518191 /nfs/dbraw/zinc/51/81/91/987518191.db2.gz SBRPPHMJJOGSCQ-QGZVFWFLSA-N 1 0 380.533 1.974 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@]2(C(=O)[O-])CCCC(C)(C)C2)C1 ZINC001591366290 992377520 /nfs/dbraw/zinc/37/75/20/992377520.db2.gz RRSMXAIOFRJQOL-OXQOHEQNSA-N 1 0 383.533 1.473 20 0 GDADRO COC1([C@@H](C(=O)[O-])[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CCC1 ZINC001599081008 996997763 /nfs/dbraw/zinc/99/77/63/996997763.db2.gz IHOKBRNYOMLKBK-GOSISDBHSA-N 1 0 395.544 1.713 20 0 GDADRO COC1([C@H](C(=O)[O-])[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CCC1 ZINC001599081009 996997787 /nfs/dbraw/zinc/99/77/87/996997787.db2.gz IHOKBRNYOMLKBK-SFHVURJKSA-N 1 0 395.544 1.713 20 0 GDADRO COc1cc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cc(Cl)c1OCC(N)=O ZINC000172068922 1126076760 /nfs/dbraw/zinc/07/67/60/1126076760.db2.gz LMJYESFZDGKJEO-YJBOKZPZSA-N 1 0 376.840 1.961 20 0 GDADRO C[C@@]1(n2cc(C[NH2+][C@H](CO)Cc3ccc(F)cc3)cn2)CCS(=O)(=O)C1 ZINC000500248788 1126095251 /nfs/dbraw/zinc/09/52/51/1126095251.db2.gz IAZGBIPTXMWLOU-ZWKOTPCHSA-N 1 0 381.473 1.249 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000782544806 1126109678 /nfs/dbraw/zinc/10/96/78/1126109678.db2.gz QRIXZVYZVVRTBD-JKSUJKDBSA-N 1 0 397.928 1.898 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)cc1OC ZINC000873192556 1126120659 /nfs/dbraw/zinc/12/06/59/1126120659.db2.gz GZBNLDUODJTVKQ-UZLBHIALSA-N 1 0 390.484 1.415 20 0 GDADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000877037357 1126121642 /nfs/dbraw/zinc/12/16/42/1126121642.db2.gz ODCZOXVUIMEIJR-JKSUJKDBSA-N 1 0 388.411 1.958 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158604681 530533759 /nfs/dbraw/zinc/53/37/59/530533759.db2.gz CMAUYARPQAVWBX-KRWDZBQOSA-N 1 0 380.286 1.781 20 0 GDADRO CCCC[NH+]1CCC(NC(=O)NCc2ccc(S(=O)(=O)NC)s2)CC1 ZINC000158612157 530534531 /nfs/dbraw/zinc/53/45/31/530534531.db2.gz ZOHGGTXYUCNEEI-UHFFFAOYSA-N 1 0 388.559 1.720 20 0 GDADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000158732634 530535322 /nfs/dbraw/zinc/53/53/22/530535322.db2.gz ASXWUPYIIDSKRY-UHFFFAOYSA-N 1 0 379.885 1.156 20 0 GDADRO CN(CCC[NH3+])C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000158821351 530536402 /nfs/dbraw/zinc/53/64/02/530536402.db2.gz IGBZCNYKMJQVJX-UHFFFAOYSA-N 1 0 377.304 1.810 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000158977043 530538415 /nfs/dbraw/zinc/53/84/15/530538415.db2.gz OBBYMXCDUZWWOU-GFCCVEGCSA-N 1 0 382.404 1.710 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000159108614 530539821 /nfs/dbraw/zinc/53/98/21/530539821.db2.gz PWSOYIOZVRSMAM-CYBMUJFWSA-N 1 0 386.543 1.118 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)N[C@H](C[NH3+])C3CC3)CC2=O)ccc1Br ZINC000159184150 530541452 /nfs/dbraw/zinc/54/14/52/530541452.db2.gz SWSBLVPJIUILII-SWLSCSKDSA-N 1 0 380.286 1.964 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000159249397 530541640 /nfs/dbraw/zinc/54/16/40/530541640.db2.gz VTSOONRXRGLTIO-OAHLLOKOSA-N 1 0 387.299 1.678 20 0 GDADRO CCOCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000167071501 530583253 /nfs/dbraw/zinc/58/32/53/530583253.db2.gz OVTLLAIEFIBIJD-ROUUACIJSA-N 1 0 375.579 1.622 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1 ZINC000161710968 530562718 /nfs/dbraw/zinc/56/27/18/530562718.db2.gz CFLKEMZVSGIHGR-CQSZACIVSA-N 1 0 391.331 1.964 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000161652710 530562981 /nfs/dbraw/zinc/56/29/81/530562981.db2.gz OWQBBAPVQJSNDB-CQSZACIVSA-N 1 0 391.331 1.820 20 0 GDADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cccc(I)c1 ZINC000167284346 530583336 /nfs/dbraw/zinc/58/33/36/530583336.db2.gz QWFLOYODHSHLSY-HNNXBMFYSA-N 1 0 386.233 1.478 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CCO1 ZINC000163032037 530572857 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1.459 20 0 GDADRO O=C(NC1CC[NH+](C2CC2)CC1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000029094856 530593534 /nfs/dbraw/zinc/59/35/34/530593534.db2.gz JETDCKZUQUFFMO-UHFFFAOYSA-N 1 0 383.539 1.889 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCC(O)CC1 ZINC000172345072 530612128 /nfs/dbraw/zinc/61/21/28/530612128.db2.gz IVIBFMDUOWTJFA-UHFFFAOYSA-N 1 0 388.295 1.686 20 0 GDADRO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000026214736 530584777 /nfs/dbraw/zinc/58/47/77/530584777.db2.gz RAKFNQHSXWYQRL-GFCCVEGCSA-N 1 0 382.302 1.993 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c(Br)c1 ZINC000026856569 530586879 /nfs/dbraw/zinc/58/68/79/530586879.db2.gz FLQBUGWDDPWQMX-JTQLQIEISA-N 1 0 393.303 1.854 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000173125720 530624316 /nfs/dbraw/zinc/62/43/16/530624316.db2.gz AHNQNWONPIJONV-LLVKDONJSA-N 1 0 394.310 1.502 20 0 GDADRO COC(=O)N(C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000042396565 530628994 /nfs/dbraw/zinc/62/89/94/530628994.db2.gz BLEXWCICRKUWGZ-UHFFFAOYSA-N 1 0 399.289 1.838 20 0 GDADRO C[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)c1ccc(Br)s1 ZINC000173431095 530629727 /nfs/dbraw/zinc/62/97/27/530629727.db2.gz KOSKCSCKBIYCLH-LLVKDONJSA-N 1 0 388.331 1.847 20 0 GDADRO COC(=O)c1cc(S(N)(=O)=O)ccc1NC[C@H](c1cccs1)[NH+](C)C ZINC000042625975 530630021 /nfs/dbraw/zinc/63/00/21/530630021.db2.gz LXAJXIWKUPBMPN-CQSZACIVSA-N 1 0 383.495 1.897 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000042951477 530632624 /nfs/dbraw/zinc/63/26/24/530632624.db2.gz XHVTXMHQKANAKB-UHFFFAOYSA-N 1 0 384.274 1.631 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000173593991 530633378 /nfs/dbraw/zinc/63/33/78/530633378.db2.gz XMVNZDHVOLBFRH-KBPBESRZSA-N 1 0 384.318 1.969 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000043472892 530635010 /nfs/dbraw/zinc/63/50/10/530635010.db2.gz ZQNLLGOYVJSCRC-UHFFFAOYSA-N 1 0 386.543 1.555 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2csc(CS(C)(=O)=O)n2)CC1 ZINC000173713843 530635389 /nfs/dbraw/zinc/63/53/89/530635389.db2.gz KNIVJQLHHDRQEA-MRXNPFEDSA-N 1 0 386.587 1.290 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)o1)N1CC[NH+](C2CCCC2)CC1 ZINC000045084756 530642684 /nfs/dbraw/zinc/64/26/84/530642684.db2.gz FKSRRJLRJKBBSO-UHFFFAOYSA-N 1 0 384.274 1.859 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3ccc(Br)cc32)CC1=O ZINC000172809284 530618331 /nfs/dbraw/zinc/61/83/31/530618331.db2.gz YRCJHDHUCJIVLO-ZDUSSCGKSA-N 1 0 380.286 1.748 20 0 GDADRO CSCC[C@H]1NC(=S)N(CC2([NH+]3CCCCC3)CCN(C)CC2)C1=O ZINC000172843640 530618627 /nfs/dbraw/zinc/61/86/27/530618627.db2.gz OAPAVEWDEYFXFW-OAHLLOKOSA-N 1 0 384.615 1.775 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccc(Br)cn2)CC1)N1CCOCC1 ZINC000051537040 530680217 /nfs/dbraw/zinc/68/02/17/530680217.db2.gz YXUVIDRTLDVJSA-UHFFFAOYSA-N 1 0 383.290 1.215 20 0 GDADRO CCS(=O)(=O)NCCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000051676726 530680933 /nfs/dbraw/zinc/68/09/33/530680933.db2.gz CVTRLOGDSBAIMT-CQSZACIVSA-N 1 0 388.559 1.514 20 0 GDADRO CN(C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C1CC[NH+](C)CC1 ZINC000046468328 530651723 /nfs/dbraw/zinc/65/17/23/530651723.db2.gz BTIBVHSMCUACKF-UHFFFAOYSA-N 1 0 385.555 1.628 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)CC1=O ZINC000174725891 530653149 /nfs/dbraw/zinc/65/31/49/530653149.db2.gz JNMUKWJRRHUZGR-VDBVYFBLSA-N 1 0 385.917 1.567 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000174757180 530653744 /nfs/dbraw/zinc/65/37/44/530653744.db2.gz OWUGQOJYHVFHFQ-LBPRGKRZSA-N 1 0 386.290 1.962 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCC[NH+]1CCCCC1 ZINC000047141156 530656131 /nfs/dbraw/zinc/65/61/31/530656131.db2.gz MKVIAVVOPCPOKU-UHFFFAOYSA-N 1 0 375.441 1.235 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2ccc(Br)cc2)CC1=O ZINC000174946807 530656568 /nfs/dbraw/zinc/65/65/68/530656568.db2.gz RNBJTYSCISNOLM-AWEZNQCLSA-N 1 0 382.302 1.518 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000047226842 530656794 /nfs/dbraw/zinc/65/67/94/530656794.db2.gz KEKPKKUEBXMDLT-HZPDHXFCSA-N 1 0 385.917 1.947 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000175906629 530672667 /nfs/dbraw/zinc/67/26/67/530672667.db2.gz ZGOXXCBTOPHYOQ-ZDUSSCGKSA-N 1 0 383.495 1.816 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000049992550 530675415 /nfs/dbraw/zinc/67/54/15/530675415.db2.gz QCQGKALGCPMBLH-OAHLLOKOSA-N 1 0 380.286 1.876 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000176048842 530675649 /nfs/dbraw/zinc/67/56/49/530675649.db2.gz VLUIDZONJRIIGH-UHFFFAOYSA-N 1 0 382.302 1.614 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1c(F)cccc1Br ZINC000176083952 530676315 /nfs/dbraw/zinc/67/63/15/530676315.db2.gz GKRMPGYEWNYBHS-UHFFFAOYSA-N 1 0 390.253 1.563 20 0 GDADRO C[C@@H]1CCC[C@@](CNC(=O)NCc2ccc(S(N)(=O)=O)s2)([NH+](C)C)C1 ZINC000052500561 530686007 /nfs/dbraw/zinc/68/60/07/530686007.db2.gz QTEGIRWGTBNFFH-MLGOLLRUSA-N 1 0 388.559 1.705 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC000176631419 530687892 /nfs/dbraw/zinc/68/78/92/530687892.db2.gz OOKFRDNSCYLIPI-HNNXBMFYSA-N 1 0 385.555 1.568 20 0 GDADRO CN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000176810193 530691707 /nfs/dbraw/zinc/69/17/07/530691707.db2.gz CQXXADOIUIEFGD-UHFFFAOYSA-N 1 0 392.319 1.090 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000177479133 530703908 /nfs/dbraw/zinc/70/39/08/530703908.db2.gz IYZILKKYOWZQRW-KKUMJFAQSA-N 1 0 385.555 1.890 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[NH+]1CCCC1 ZINC000055177196 530705259 /nfs/dbraw/zinc/70/52/59/530705259.db2.gz BJHVLVWWTPISJE-MRXNPFEDSA-N 1 0 385.555 1.299 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ccc1Br ZINC000177566712 530705563 /nfs/dbraw/zinc/70/55/63/530705563.db2.gz PRUOBWSHCZMNHL-ZDUSSCGKSA-N 1 0 397.317 1.448 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177727781 530708980 /nfs/dbraw/zinc/70/89/80/530708980.db2.gz NNMAMOGTSSVJKB-UHFFFAOYSA-N 1 0 386.265 1.934 20 0 GDADRO C[C@H](CNC(=O)CN(C)C(=O)c1ccc(Br)o1)C[NH+]1CCCC1 ZINC000055541703 530709121 /nfs/dbraw/zinc/70/91/21/530709121.db2.gz YBFWRPADVQFRAR-GFCCVEGCSA-N 1 0 386.290 1.962 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(c(Br)c1)OCO2 ZINC000178507656 530721375 /nfs/dbraw/zinc/72/13/75/530721375.db2.gz UVSHXSXZBDFXDF-GFCCVEGCSA-N 1 0 385.258 1.754 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1=O ZINC000177976925 530714370 /nfs/dbraw/zinc/71/43/70/530714370.db2.gz NFEUNFYQWWJLDJ-UHFFFAOYSA-N 1 0 387.278 1.068 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1=O ZINC000177985185 530714512 /nfs/dbraw/zinc/71/45/12/530714512.db2.gz CQACINTXNCMKGN-GFCCVEGCSA-N 1 0 399.289 1.334 20 0 GDADRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)C(=O)NC(N)=O ZINC000056203757 530718047 /nfs/dbraw/zinc/71/80/47/530718047.db2.gz AHDLAWACKYZVPS-NSHDSACASA-N 1 0 384.274 1.670 20 0 GDADRO CC1(C)COCCN1CCNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000178266963 530718564 /nfs/dbraw/zinc/71/85/64/530718564.db2.gz BOXISDKFDATWTD-UHFFFAOYSA-N 1 0 385.262 1.010 20 0 GDADRO CN(C(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000179114652 530735940 /nfs/dbraw/zinc/73/59/40/530735940.db2.gz DXVXNIVVSPTYLJ-LBPRGKRZSA-N 1 0 389.315 1.822 20 0 GDADRO CCNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000179461950 530742098 /nfs/dbraw/zinc/74/20/98/530742098.db2.gz CWAVZTLXVBJEAF-LBPRGKRZSA-N 1 0 377.869 1.821 20 0 GDADRO CC[NH+]1CCC(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000057000077 530722060 /nfs/dbraw/zinc/72/20/60/530722060.db2.gz DIWNLIHHYLFAKM-UHFFFAOYSA-N 1 0 393.962 1.870 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH3+])C2)ccc1Br ZINC000178528945 530722615 /nfs/dbraw/zinc/72/26/15/530722615.db2.gz HDBWYRZTVCLCOL-JTQLQIEISA-N 1 0 390.303 1.120 20 0 GDADRO O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H]1CCC[NH2+]1 ZINC000178773941 530727598 /nfs/dbraw/zinc/72/75/98/530727598.db2.gz JDURXXZBBNVMIO-SNVBAGLBSA-N 1 0 380.297 1.530 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1CCC[NH2+]1)S(=O)(=O)c1ccc(Br)cc1 ZINC000178781323 530728407 /nfs/dbraw/zinc/72/84/07/530728407.db2.gz LSULVAYNZITSPN-LBPRGKRZSA-N 1 0 389.315 1.870 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000178844732 530729682 /nfs/dbraw/zinc/72/96/82/530729682.db2.gz VQRNVZQVSRQIJC-NSHDSACASA-N 1 0 386.699 1.088 20 0 GDADRO C[C@H]([NH3+])CCNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000178913686 530730802 /nfs/dbraw/zinc/73/08/02/530730802.db2.gz MUQATFYLGAQHFJ-QMMMGPOBSA-N 1 0 376.276 1.349 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000058178635 530730889 /nfs/dbraw/zinc/73/08/89/530730889.db2.gz BLMZHRADOBDIQY-BZUAXINKSA-N 1 0 375.535 1.216 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000178971802 530732612 /nfs/dbraw/zinc/73/26/12/530732612.db2.gz UGGHIJXXWNPHNG-OLZOCXBDSA-N 1 0 380.286 1.870 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)ccc1Br ZINC000179059644 530734694 /nfs/dbraw/zinc/73/46/94/530734694.db2.gz KIPXWCZKXVPJDR-NSHDSACASA-N 1 0 390.303 1.133 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000179777725 530749761 /nfs/dbraw/zinc/74/97/61/530749761.db2.gz LBRNLXVONMDYKU-GFCCVEGCSA-N 1 0 379.258 1.564 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cccnc2Br)C1 ZINC000179804033 530750313 /nfs/dbraw/zinc/75/03/13/530750313.db2.gz GRLZXOCUBJQKPC-GFCCVEGCSA-N 1 0 383.290 1.973 20 0 GDADRO C[NH+]1CCN(c2cccc(Cl)c2CNCCN2CCCS2(=O)=O)CC1 ZINC000180124613 530758350 /nfs/dbraw/zinc/75/83/50/530758350.db2.gz PAPVKBNDOYXOBC-UHFFFAOYSA-N 1 0 386.949 1.217 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000066137119 530758470 /nfs/dbraw/zinc/75/84/70/530758470.db2.gz MDNQYBVFRMLMFI-LLVKDONJSA-N 1 0 396.285 1.892 20 0 GDADRO CC[NH+](CC)CCCNC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000180174269 530759261 /nfs/dbraw/zinc/75/92/61/530759261.db2.gz QYBVZPPCKODDKE-UHFFFAOYSA-N 1 0 376.567 1.468 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000179601956 530745289 /nfs/dbraw/zinc/74/52/89/530745289.db2.gz ICSHATSKFXXQJB-DMDPSCGWSA-N 1 0 376.425 1.630 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000063512752 530745485 /nfs/dbraw/zinc/74/54/85/530745485.db2.gz BXHRDJPBRKSTIA-GFCCVEGCSA-N 1 0 389.905 1.376 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000063744461 530747437 /nfs/dbraw/zinc/74/74/37/530747437.db2.gz VYQOMPWTHIPMNM-ZDUSSCGKSA-N 1 0 391.921 1.091 20 0 GDADRO O=C(c1cnn2cc(Br)cnc12)N1CC[NH+](C2CCOCC2)CC1 ZINC000179710483 530748043 /nfs/dbraw/zinc/74/80/43/530748043.db2.gz LCDVFBWAWDQGIC-UHFFFAOYSA-N 1 0 394.273 1.429 20 0 GDADRO CC[NH+]1CCC(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000067682967 530778088 /nfs/dbraw/zinc/77/80/88/530778088.db2.gz QWYRJITXAXGYSW-UHFFFAOYSA-N 1 0 387.933 1.809 20 0 GDADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)NC1CCOCC1 ZINC000181517284 530785682 /nfs/dbraw/zinc/78/56/82/530785682.db2.gz RHZSQSJZHNHKKZ-UHFFFAOYSA-N 1 0 386.290 1.886 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CCNS(=O)(=O)c1cccs1)c1ccccc1 ZINC000070755595 530802288 /nfs/dbraw/zinc/80/22/88/530802288.db2.gz CLYNSELOBWURSY-OAHLLOKOSA-N 1 0 381.523 1.836 20 0 GDADRO COCCN(C(=O)C[NH2+][C@H](C)c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000182750141 530804205 /nfs/dbraw/zinc/80/42/05/530804205.db2.gz KSDTWYVNOHLADP-UKRRQHHQSA-N 1 0 388.555 1.678 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000068458342 530788581 /nfs/dbraw/zinc/78/85/81/530788581.db2.gz GCGUHAFKFFZLHP-CYBMUJFWSA-N 1 0 388.921 1.667 20 0 GDADRO CCS(=O)(=O)NCC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000068809368 530791666 /nfs/dbraw/zinc/79/16/66/530791666.db2.gz VGWQUQWLCWTNQS-UHFFFAOYSA-N 1 0 389.905 1.635 20 0 GDADRO NC(=O)C[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000181950390 530792735 /nfs/dbraw/zinc/79/27/35/530792735.db2.gz NPRAYBZXRPMEJI-IUODEOHRSA-N 1 0 391.295 1.993 20 0 GDADRO CC(C)CO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)C1(C)C ZINC000181948412 530792793 /nfs/dbraw/zinc/79/27/93/530792793.db2.gz OSVIQDLTFXWSRU-YESZJQIVSA-N 1 0 376.563 1.904 20 0 GDADRO Cc1cc(NC(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)ccc1Br ZINC000181975122 530792924 /nfs/dbraw/zinc/79/29/24/530792924.db2.gz SVDVOCBEMMXCRT-OAHLLOKOSA-N 1 0 398.301 1.956 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000069045629 530794182 /nfs/dbraw/zinc/79/41/82/530794182.db2.gz GZYNJRQVHYKXHV-LLVKDONJSA-N 1 0 381.278 1.737 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000069128652 530795124 /nfs/dbraw/zinc/79/51/24/530795124.db2.gz JWFAYFLDNBDZSH-CYBMUJFWSA-N 1 0 388.559 1.212 20 0 GDADRO CNC(=O)C1C[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000184785301 530831580 /nfs/dbraw/zinc/83/15/80/530831580.db2.gz MYEOVJRFVOKLBM-LLVKDONJSA-N 1 0 377.666 1.520 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000103530942 530835930 /nfs/dbraw/zinc/83/59/30/530835930.db2.gz CDJDXFFYMYSEFZ-UHFFFAOYSA-N 1 0 398.301 1.781 20 0 GDADRO C[C@@H](CS(C)(=O)=O)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000183040741 530808721 /nfs/dbraw/zinc/80/87/21/530808721.db2.gz UWRDDNXBCNPODL-ZDUSSCGKSA-N 1 0 394.584 1.488 20 0 GDADRO CCCCS(=O)(=O)NCC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000090012991 530808814 /nfs/dbraw/zinc/80/88/14/530808814.db2.gz ANNKGNZHTSWDBG-HNNXBMFYSA-N 1 0 375.922 1.778 20 0 GDADRO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000183216392 530812062 /nfs/dbraw/zinc/81/20/62/530812062.db2.gz QMUCGDDGODEEGV-UONOGXRCSA-N 1 0 385.302 1.989 20 0 GDADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1C(=O)CNC1=O ZINC000183655794 530818360 /nfs/dbraw/zinc/81/83/60/530818360.db2.gz KATZMMBZGCTCTP-JTQLQIEISA-N 1 0 383.246 1.308 20 0 GDADRO C[C@H](CNC(=O)c1nc2ncc(Br)cn2n1)C[NH+]1CCCCC1 ZINC000098035964 530822207 /nfs/dbraw/zinc/82/22/07/530822207.db2.gz DKZZDYRJVAAAJT-LLVKDONJSA-N 1 0 381.278 1.739 20 0 GDADRO COCC[N@H+](CCO)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000106385574 530847904 /nfs/dbraw/zinc/84/79/04/530847904.db2.gz DLMRTQYDCGJPAD-LBPRGKRZSA-N 1 0 382.682 1.783 20 0 GDADRO CC(C)(C)[C@H](NCC(=O)Nc1cccc(I)c1)C(N)=O ZINC000106445005 530848383 /nfs/dbraw/zinc/84/83/83/530848383.db2.gz XVCXVZRURCMFPQ-GFCCVEGCSA-N 1 0 389.237 1.719 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000106733876 530849234 /nfs/dbraw/zinc/84/92/34/530849234.db2.gz FIKHSJPUPBDFFT-UHFFFAOYSA-N 1 0 392.301 1.612 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000106895503 530851742 /nfs/dbraw/zinc/85/17/42/530851742.db2.gz DTJMACRMDFQTKM-LLVKDONJSA-N 1 0 397.875 1.856 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000107886807 530855333 /nfs/dbraw/zinc/85/53/33/530855333.db2.gz DPXCQCDIKJFWKY-LLVKDONJSA-N 1 0 389.315 1.924 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 ZINC000108346873 530856591 /nfs/dbraw/zinc/85/65/91/530856591.db2.gz WJIAPWXTKDITGU-CQSZACIVSA-N 1 0 385.555 1.533 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000110650769 530868640 /nfs/dbraw/zinc/86/86/40/530868640.db2.gz QMZVCQLEHHNWRO-JTQLQIEISA-N 1 0 375.288 1.534 20 0 GDADRO CNC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000111267506 530872713 /nfs/dbraw/zinc/87/27/13/530872713.db2.gz PXXVXQXTWJKHQK-AWEZNQCLSA-N 1 0 382.302 1.866 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)s1 ZINC000105085247 530841366 /nfs/dbraw/zinc/84/13/66/530841366.db2.gz XFSZFOWHMNWNLB-CYBMUJFWSA-N 1 0 386.543 1.555 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000105098160 530841506 /nfs/dbraw/zinc/84/15/06/530841506.db2.gz ZDKAJYHVXGRRSG-ZDUSSCGKSA-N 1 0 388.559 1.576 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CSc1nnnn1CC(F)(F)F)c1cccs1 ZINC000106010051 530845102 /nfs/dbraw/zinc/84/51/02/530845102.db2.gz LKHGILHTYKBUPY-VIFPVBQESA-N 1 0 394.448 1.808 20 0 GDADRO C[C@@H](CNC(=O)CSc1nnnn1CC(F)(F)F)C[NH+]1CCCCC1 ZINC000106016583 530845593 /nfs/dbraw/zinc/84/55/93/530845593.db2.gz QNCXDVFSTJCUAQ-NSHDSACASA-N 1 0 380.440 1.566 20 0 GDADRO C[NH+](C)Cc1cc(CNC(=O)CNS(=O)(=O)c2cccs2)ccc1F ZINC000115416175 530899604 /nfs/dbraw/zinc/89/96/04/530899604.db2.gz SBADUVZZADADJM-UHFFFAOYSA-N 1 0 385.486 1.544 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(I)cc2)C1 ZINC000115902504 530902542 /nfs/dbraw/zinc/90/25/42/530902542.db2.gz PROZYSZLQHULIS-ZDUSSCGKSA-N 1 0 387.265 1.578 20 0 GDADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000116332537 530903793 /nfs/dbraw/zinc/90/37/93/530903793.db2.gz WQGMHFVGISZYLT-UHFFFAOYSA-N 1 0 388.555 1.774 20 0 GDADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1 ZINC000187878266 530879590 /nfs/dbraw/zinc/87/95/90/530879590.db2.gz QBGHOFPOEJOBQW-INIZCTEOSA-N 1 0 376.906 1.650 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000112310382 530880690 /nfs/dbraw/zinc/88/06/90/530880690.db2.gz PELTZUPBNBQHBP-UHFFFAOYSA-N 1 0 381.951 1.870 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1csc(I)c1 ZINC000113426619 530889830 /nfs/dbraw/zinc/88/98/30/530889830.db2.gz XOQCKJXIBBWRGP-MNOVXSKESA-N 1 0 392.262 1.946 20 0 GDADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000188253161 530890203 /nfs/dbraw/zinc/89/02/03/530890203.db2.gz ZAFADFMGBJZAMP-UHFFFAOYSA-N 1 0 392.518 1.726 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)c(C)nc2OC)CC1 ZINC000188319972 530892038 /nfs/dbraw/zinc/89/20/38/530892038.db2.gz DZQZVCZJKKAXNV-LBPRGKRZSA-N 1 0 399.333 1.917 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000114148373 530892342 /nfs/dbraw/zinc/89/23/42/530892342.db2.gz YIMNKVTZEGCOLT-CYBMUJFWSA-N 1 0 382.302 1.979 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(Br)c2)CCOCC1 ZINC000114047099 530892580 /nfs/dbraw/zinc/89/25/80/530892580.db2.gz BTCOXPKEWJETHO-UHFFFAOYSA-N 1 0 384.274 1.615 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000188481408 530894917 /nfs/dbraw/zinc/89/49/17/530894917.db2.gz IJYPOJKKXKLXRD-CYBMUJFWSA-N 1 0 385.917 1.561 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000190427124 530929524 /nfs/dbraw/zinc/92/95/24/530929524.db2.gz BXBXSBOCZYOWJA-RYUDHWBXSA-N 1 0 398.301 1.832 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000118124705 530916621 /nfs/dbraw/zinc/91/66/21/530916621.db2.gz NHMZJSRVAYDSAW-AWEZNQCLSA-N 1 0 384.274 1.615 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000118124324 530917037 /nfs/dbraw/zinc/91/70/37/530917037.db2.gz JPNOINYNWDXGBM-AWEZNQCLSA-N 1 0 398.301 1.923 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000189897958 530922475 /nfs/dbraw/zinc/92/24/75/530922475.db2.gz DRQSWZQEKDMMSE-LBPRGKRZSA-N 1 0 388.921 1.501 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000189948692 530923048 /nfs/dbraw/zinc/92/30/48/530923048.db2.gz GOWPPBPIEPWHIA-LLVKDONJSA-N 1 0 398.276 1.935 20 0 GDADRO C[NH+](C)CCn1nnnc1SCc1cn2cc(Br)ccc2n1 ZINC000119257835 530923850 /nfs/dbraw/zinc/92/38/50/530923850.db2.gz HNGAGMKJIRNVLU-UHFFFAOYSA-N 1 0 382.291 1.937 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(Br)n1 ZINC000119486535 530926929 /nfs/dbraw/zinc/92/69/29/530926929.db2.gz CRPHBCQJNIDNNM-GWCFXTLKSA-N 1 0 383.290 1.890 20 0 GDADRO Cc1cc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c(C)s1 ZINC000119508502 530927096 /nfs/dbraw/zinc/92/70/96/530927096.db2.gz VGUIQCSUTSPZPR-UHFFFAOYSA-N 1 0 375.560 1.033 20 0 GDADRO O=S(=O)(N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000121601050 530958464 /nfs/dbraw/zinc/95/84/64/530958464.db2.gz BHZLUQMJIOJMBS-UHFFFAOYSA-N 1 0 387.933 1.815 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000192062616 530960719 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Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c1Br ZINC000121041987 530949716 /nfs/dbraw/zinc/94/97/16/530949716.db2.gz LJILSDFZCNOYEW-UHFFFAOYSA-N 1 0 398.301 1.659 20 0 GDADRO COc1cc(S(=O)(=O)NCC[NH+]2CCCC2)c(OC)cc1Br ZINC000191855780 530955349 /nfs/dbraw/zinc/95/53/49/530955349.db2.gz LHNOHMAMFSYAMS-UHFFFAOYSA-N 1 0 393.303 1.840 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)c(Br)c1 ZINC000191856344 530955433 /nfs/dbraw/zinc/95/54/33/530955433.db2.gz NEVDELHBJBZFDQ-UHFFFAOYSA-N 1 0 391.287 1.610 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(Br)s1)N1CC[NH+](C)CC1 ZINC000122566543 530973336 /nfs/dbraw/zinc/97/33/36/530973336.db2.gz JXVAXSYDROHKAO-SNVBAGLBSA-N 1 0 382.349 1.425 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)N1CC[NH+](C)CC1 ZINC000122550229 530973369 /nfs/dbraw/zinc/97/33/69/530973369.db2.gz GBZPOPTVDLFDPR-LBPRGKRZSA-N 1 0 381.420 1.499 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000122556193 530973498 /nfs/dbraw/zinc/97/34/98/530973498.db2.gz 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379.404 1.276 20 0 GDADRO CC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000129115564 531048380 /nfs/dbraw/zinc/04/83/80/531048380.db2.gz NCIRPCCOHBURKD-LLVKDONJSA-N 1 0 380.297 1.564 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CC[C@H]([NH3+])C3)ccc2Cl)C1 ZINC000237678589 531048525 /nfs/dbraw/zinc/04/85/25/531048525.db2.gz OQOBXGUDCJJQJV-JSGCOSHPSA-N 1 0 385.917 1.934 20 0 GDADRO O=C(CN1CCN(Cc2ccc(Br)cc2F)CC1)N1CC[NH2+]CC1 ZINC000237696577 531048620 /nfs/dbraw/zinc/04/86/20/531048620.db2.gz FXJOWQFODKZPJW-UHFFFAOYSA-N 1 0 399.308 1.138 20 0 GDADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCCN1CC[NH2+]CC1 ZINC000237618441 531048815 /nfs/dbraw/zinc/04/88/15/531048815.db2.gz BODLTGOEXVXBDE-LBPRGKRZSA-N 1 0 387.311 1.523 20 0 GDADRO Cc1cc(NC(=O)CNC(=O)C[NH2+]C[C@H]2CCCO2)ccc1Br ZINC000237704978 531048879 /nfs/dbraw/zinc/04/88/79/531048879.db2.gz SOPWVNYTIYXVOY-CYBMUJFWSA-N 1 0 384.274 1.581 20 0 GDADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000237645878 531048934 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385.555 1.730 20 0 GDADRO O=C([C@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000237873483 531051679 /nfs/dbraw/zinc/05/16/79/531051679.db2.gz IVRDMCLYJHMTMN-NSHDSACASA-N 1 0 392.308 1.436 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)s1 ZINC000237868746 531051701 /nfs/dbraw/zinc/05/17/01/531051701.db2.gz GVLMPZULGSUGFH-GJZGRUSLSA-N 1 0 385.555 1.634 20 0 GDADRO [NH3+]C1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000237897283 531052128 /nfs/dbraw/zinc/05/21/28/531052128.db2.gz SQXVLESGOZNSSA-UHFFFAOYSA-N 1 0 385.917 1.835 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000237899307 531052262 /nfs/dbraw/zinc/05/22/62/531052262.db2.gz FZWZBYZVAHMAHZ-SNVBAGLBSA-N 1 0 380.297 1.469 20 0 GDADRO [NH3+]CC1(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CCCC1 ZINC000238009119 531053444 /nfs/dbraw/zinc/05/34/44/531053444.db2.gz QPPATELRCRAOEZ-UHFFFAOYSA-N 1 0 379.404 1.985 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)c1cccc(S(=O)(=O)NCc2cccs2)c1 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1.825 20 0 GDADRO [NH3+][C@@H](C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000261971756 531104259 /nfs/dbraw/zinc/10/42/59/531104259.db2.gz LOCAEHOHDBSQGY-XHDPSFHLSA-N 1 0 377.268 1.603 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCNC(=O)c3cc(F)ccc3Br)C[C@H]12 ZINC000248666348 531080583 /nfs/dbraw/zinc/08/05/83/531080583.db2.gz WPSGQOCDDHGSBY-RIEGTJTDSA-N 1 0 398.276 1.904 20 0 GDADRO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000248666312 531080640 /nfs/dbraw/zinc/08/06/40/531080640.db2.gz WNTFRVOBLGFAFM-HBNTYKKESA-N 1 0 377.919 1.218 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000134823323 531104297 /nfs/dbraw/zinc/10/42/97/531104297.db2.gz ZTYURJCJCRUTDU-GFCCVEGCSA-N 1 0 390.315 1.702 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cnc1Br ZINC000249206938 531085292 /nfs/dbraw/zinc/08/52/92/531085292.db2.gz RXYOYIGEGAUOLG-DGCLKSJQSA-N 1 0 383.290 1.890 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NCc2csc(CS(C)(=O)=O)n2)[C@@H](C)C1 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CS(=O)(=O)c1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccc1Cl ZINC000134031653 531096691 /nfs/dbraw/zinc/09/66/91/531096691.db2.gz WXBUOPGBQUKBFJ-CQSZACIVSA-N 1 0 388.917 1.710 20 0 GDADRO C[C@]([NH3+])(C(=O)NCCN1CCOC(C)(C)C1)c1ccc(Br)cc1 ZINC000261693246 531096821 /nfs/dbraw/zinc/09/68/21/531096821.db2.gz HUEPWOCEAHASRJ-QGZVFWFLSA-N 1 0 384.318 1.850 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)O1 ZINC000261733368 531097423 /nfs/dbraw/zinc/09/74/23/531097423.db2.gz KASFCRKLTHCQGK-MAZHCROVSA-N 1 0 382.302 1.898 20 0 GDADRO CC[C@H](NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)C(=O)N1CCOCC1 ZINC000261793330 531099144 /nfs/dbraw/zinc/09/91/44/531099144.db2.gz QHXADQLSXJVKNT-YOEHRIQHSA-N 1 0 398.301 1.377 20 0 GDADRO Cc1cc(OCC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Cl ZINC000261819101 531100212 /nfs/dbraw/zinc/10/02/12/531100212.db2.gz HTLCQSQOCBVZDU-CQSZACIVSA-N 1 0 379.810 1.980 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000261919991 531102570 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C[NH+](C)C1CN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000134975302 531105562 /nfs/dbraw/zinc/10/55/62/531105562.db2.gz CCFHVBRQRQEDRW-UHFFFAOYSA-N 1 0 385.536 1.674 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCCSc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000262055087 531106272 /nfs/dbraw/zinc/10/62/72/531106272.db2.gz HUUYAERQKDAMLA-UHFFFAOYSA-N 1 0 376.931 1.715 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000262061390 531106969 /nfs/dbraw/zinc/10/69/69/531106969.db2.gz NZPMRUNKALWSJL-ZDUSSCGKSA-N 1 0 387.933 1.855 20 0 GDADRO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cnn1-c1ccc(Br)cc1 ZINC000262076825 531107005 /nfs/dbraw/zinc/10/70/05/531107005.db2.gz CCCMVFNJYUBYIT-IAQYHMDHSA-N 1 0 379.258 1.253 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000262083814 531107447 /nfs/dbraw/zinc/10/74/47/531107447.db2.gz QVERLJMPVZBYSG-CYBMUJFWSA-N 1 0 390.303 1.344 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1C(F)(F)F ZINC000262083799 531107712 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382.251 1.609 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)C1 ZINC000415288618 531471645 /nfs/dbraw/zinc/47/16/45/531471645.db2.gz ZHKYPFWXJSPEGV-LLVKDONJSA-N 1 0 384.274 1.854 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(OC)c(Br)c(OC)c2)C1 ZINC000415294995 531472255 /nfs/dbraw/zinc/47/22/55/531472255.db2.gz GTRLZAAUIRAIQE-SECBINFHSA-N 1 0 386.246 1.225 20 0 GDADRO CN1CCN([C@H](C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)c2cccs2)CC1 ZINC000540403322 531472518 /nfs/dbraw/zinc/47/25/18/531472518.db2.gz GATBEFJZMMJBDP-JZXOWHBKSA-N 1 0 385.599 1.982 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1Br ZINC000415357572 531478431 /nfs/dbraw/zinc/47/84/31/531478431.db2.gz SGUZZHJZBJUVMK-LLVKDONJSA-N 1 0 383.290 1.256 20 0 GDADRO COc1cc(NC(=O)N[C@H](CC[NH3+])C(F)F)ccc1S(=O)(=O)N(C)C ZINC000415354687 531478560 /nfs/dbraw/zinc/47/85/60/531478560.db2.gz DYJKPEAEJULCHK-SNVBAGLBSA-N 1 0 380.417 1.050 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000415362271 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CC(C)([NH3+])CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415467006 531488721 /nfs/dbraw/zinc/48/87/21/531488721.db2.gz TWDMCVRAVHHXKQ-UHFFFAOYSA-N 1 0 380.246 1.427 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1I ZINC000415465415 531489061 /nfs/dbraw/zinc/48/90/61/531489061.db2.gz FKSMEUVRQBQLHM-SECBINFHSA-N 1 0 391.184 1.319 20 0 GDADRO C[C@H](O)C[NH+]1CCN(C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000294668370 531491036 /nfs/dbraw/zinc/49/10/36/531491036.db2.gz RRZIJGVCONYECY-BLLLJJGKSA-N 1 0 375.282 1.794 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415541663 531492523 /nfs/dbraw/zinc/49/25/23/531492523.db2.gz OELPIENYZZXKHP-NXEZZACHSA-N 1 0 381.274 1.856 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415544464 531492667 /nfs/dbraw/zinc/49/26/67/531492667.db2.gz UGTIFYZGURVNLX-NEPJUHHUSA-N 1 0 397.317 1.645 20 0 GDADRO O=C(c1cccnc1-n1cc(Br)cn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000294719017 531492702 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C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(I)c1 ZINC000415666742 531512261 /nfs/dbraw/zinc/51/22/61/531512261.db2.gz XHTFAJFHCXCESP-BXKDBHETSA-N 1 0 387.221 1.344 20 0 GDADRO CCOc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)cc1Br ZINC000581725933 531512628 /nfs/dbraw/zinc/51/26/28/531512628.db2.gz OOGMZNHVKIDGET-NSHDSACASA-N 1 0 392.319 1.030 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000581733592 531512715 /nfs/dbraw/zinc/51/27/15/531512715.db2.gz YUFNUNMUEPKPLZ-RYUDHWBXSA-N 1 0 390.472 1.228 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415677679 531512712 /nfs/dbraw/zinc/51/27/12/531512712.db2.gz MWYUNPXNCGJAPX-NSHDSACASA-N 1 0 384.274 1.984 20 0 GDADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N(C)C[C@H](O)C[NH3+] ZINC000415722772 531519598 /nfs/dbraw/zinc/51/95/98/531519598.db2.gz KZDLGZUMKDBPJM-MRVPVSSYSA-N 1 0 390.234 1.028 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2ccc(F)cc2Br)CCC[NH2+]1 ZINC000415707675 531516737 /nfs/dbraw/zinc/51/67/37/531516737.db2.gz NAOMEGHIQUOTEE-HNNXBMFYSA-N 1 0 388.237 1.412 20 0 GDADRO CN(c1ncc(Br)cc1S(N)(=O)=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000557715085 531516825 /nfs/dbraw/zinc/51/68/25/531516825.db2.gz LYQUVLPOXCRDEN-FOSCPWQOSA-N 1 0 389.319 1.553 20 0 GDADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2ccc3ncsc3c2)ccc1=O ZINC000547496206 531493787 /nfs/dbraw/zinc/49/37/87/531493787.db2.gz OGTLSBJLEBPJDQ-UHFFFAOYSA-N 1 0 378.479 1.820 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415567295 531495603 /nfs/dbraw/zinc/49/56/03/531495603.db2.gz JPGMKRSLIOXRSS-MNOVXSKESA-N 1 0 384.274 1.982 20 0 GDADRO O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635547687 531496876 /nfs/dbraw/zinc/49/68/76/531496876.db2.gz KHUKRXDFPQWQFU-KBPBESRZSA-N 1 0 384.464 1.982 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000610134871 531497998 /nfs/dbraw/zinc/49/79/98/531497998.db2.gz CBGNRLFBBZHCIN-HOCLYGCPSA-N 1 0 375.535 1.311 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415580696 531498448 /nfs/dbraw/zinc/49/84/48/531498448.db2.gz RKQXRQPYXXVFDN-QWRGUYRKSA-N 1 0 384.274 1.982 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415578630 531498612 /nfs/dbraw/zinc/49/86/12/531498612.db2.gz PIWNRAYMKJCIBO-WDEREUQCSA-N 1 0 384.274 1.900 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000415593991 531499510 /nfs/dbraw/zinc/49/95/10/531499510.db2.gz HNSXNNRQSNOUAU-UHFFFAOYSA-N 1 0 382.258 1.822 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415591334 531499899 /nfs/dbraw/zinc/49/98/99/531499899.db2.gz AMAPXMSKYJBYEE-SNVBAGLBSA-N 1 0 380.246 1.096 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415593058 531500219 /nfs/dbraw/zinc/50/02/19/531500219.db2.gz JDHJZANLGCJTKT-KRWDZBQOSA-N 1 0 393.285 1.872 20 0 GDADRO Cn1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc(Br)c1=O ZINC000658126882 531500467 /nfs/dbraw/zinc/50/04/67/531500467.db2.gz RMZVEESVUZHSBY-LLVKDONJSA-N 1 0 399.289 1.075 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000268375106 531502406 /nfs/dbraw/zinc/50/24/06/531502406.db2.gz ZGLGOYIEQJKCDW-ZWNOBZJWSA-N 1 0 384.274 1.805 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CCO1 ZINC000415605840 531503579 /nfs/dbraw/zinc/50/35/79/531503579.db2.gz XSPJXEOGNKDLCH-SECBINFHSA-N 1 0 376.638 1.227 20 0 GDADRO O=S(=O)(c1cc(F)ccc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000490068288 531519022 /nfs/dbraw/zinc/51/90/22/531519022.db2.gz RKDZPVQPVSKJBZ-LBPRGKRZSA-N 1 0 392.294 1.256 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415620059 531504848 /nfs/dbraw/zinc/50/48/48/531504848.db2.gz UDUQYDPZVCIVEM-NOZJJQNGSA-N 1 0 384.274 1.819 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)C1 ZINC000635718246 531504998 /nfs/dbraw/zinc/50/49/98/531504998.db2.gz BTZMHOGSBNQCPK-HZSPNIEDSA-N 1 0 384.464 1.694 20 0 GDADRO Brc1c[nH+]c(NCc2c[nH]c3nccnc23)cc1N1CCOCC1 ZINC000581647924 531505240 /nfs/dbraw/zinc/50/52/40/531505240.db2.gz RENQYKMBIGXWMT-UHFFFAOYSA-N 1 0 389.257 2.516 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415629074 531506175 /nfs/dbraw/zinc/50/61/75/531506175.db2.gz VAHHHIRCLRSEQJ-MEBBXXQBSA-N 1 0 380.286 1.991 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)s1 ZINC000658408670 531506240 /nfs/dbraw/zinc/50/62/40/531506240.db2.gz XXPQAADYTKWWDN-CHWSQXEVSA-N 1 0 391.534 1.513 20 0 GDADRO CCOc1cc(Br)c(NC(=O)C(=O)N[C@@H](C)C[NH3+])cc1OCC ZINC000415644645 531507351 /nfs/dbraw/zinc/50/73/51/531507351.db2.gz VPOJCGCJPYXGJT-VIFPVBQESA-N 1 0 388.262 1.648 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000557018588 531507605 /nfs/dbraw/zinc/50/76/05/531507605.db2.gz XCFPLDVBQDJJNH-RNFRBKRXSA-N 1 0 378.654 1.902 20 0 GDADRO CN(CC[NH2+]C1CCC(CS(C)(=O)=O)CC1)S(=O)(=O)c1cccs1 ZINC000294907691 531507620 /nfs/dbraw/zinc/50/76/20/531507620.db2.gz WIIJFBXFEQCUSX-UHFFFAOYSA-N 1 0 394.584 1.562 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415649415 531508329 /nfs/dbraw/zinc/50/83/29/531508329.db2.gz IDKNDKKFBGVATI-LURJTMIESA-N 1 0 379.052 1.614 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000415657573 531508733 /nfs/dbraw/zinc/50/87/33/531508733.db2.gz OCJTUZGOASLHGU-GFCCVEGCSA-N 1 0 384.933 1.946 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(I)cc2)CC[NH2+]1 ZINC000415653620 531508748 /nfs/dbraw/zinc/50/87/48/531508748.db2.gz FYIYXLKXCSVBMV-CABZTGNLSA-N 1 0 387.221 1.486 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415659528 531510215 /nfs/dbraw/zinc/51/02/15/531510215.db2.gz AIHDCLZVYCWEGR-ONGXEEELSA-N 1 0 398.257 1.431 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415663341 531510461 /nfs/dbraw/zinc/51/04/61/531510461.db2.gz WHRHTDLWGUZOPU-HQJQHLMTSA-N 1 0 376.201 1.780 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415750691 531523942 /nfs/dbraw/zinc/52/39/42/531523942.db2.gz UPZGKSNDLIBCMG-VXGBXAGGSA-N 1 0 396.285 1.773 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415755052 531524818 /nfs/dbraw/zinc/52/48/18/531524818.db2.gz BYGRZZOJAZNPRY-BWPRHRIFSA-N 1 0 386.221 1.259 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000415796804 531532635 /nfs/dbraw/zinc/53/26/35/531532635.db2.gz ZKEDXMRFLIEWHU-LLVKDONJSA-N 1 0 384.267 2.280 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415762712 531526606 /nfs/dbraw/zinc/52/66/06/531526606.db2.gz NHLZWHSZUWXGCG-VXGBXAGGSA-N 1 0 393.285 1.728 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000415766028 531526926 /nfs/dbraw/zinc/52/69/26/531526926.db2.gz LNGSNUQHCNKTNO-HZMBPMFUSA-N 1 0 382.258 1.607 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000415766748 531527240 /nfs/dbraw/zinc/52/72/40/531527240.db2.gz SSSHMFUAJGJELD-CYBMUJFWSA-N 1 0 395.301 1.939 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])c(I)c1 ZINC000415777214 531528709 /nfs/dbraw/zinc/52/87/09/531528709.db2.gz CKQFYNMMZBCWAS-JGVFFNPUSA-N 1 0 393.200 1.529 20 0 GDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000557843945 531528850 /nfs/dbraw/zinc/52/88/50/531528850.db2.gz JOOGWPQXQNOZHB-JTQLQIEISA-N 1 0 390.303 1.263 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000658781612 531528877 /nfs/dbraw/zinc/52/88/77/531528877.db2.gz AHXPSTXFJGBGHB-GFCCVEGCSA-N 1 0 380.286 1.939 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415781714 531528952 /nfs/dbraw/zinc/52/89/52/531528952.db2.gz JZCNWDCAMXTZOX-PHDIDXHHSA-N 1 0 397.163 1.360 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[NH+](CC)CC)cc1 ZINC000557844297 531529188 /nfs/dbraw/zinc/52/91/88/531529188.db2.gz APDIIBVDZNZHOX-AWEZNQCLSA-N 1 0 391.559 1.384 20 0 GDADRO CN(C(=O)C(=O)Nc1cccc2cncc(Br)c21)C1CC([NH3+])C1 ZINC000415784469 531529965 /nfs/dbraw/zinc/52/99/65/531529965.db2.gz FMAOFWILXOTDFW-UHFFFAOYSA-N 1 0 377.242 1.884 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415788090 531530060 /nfs/dbraw/zinc/53/00/60/531530060.db2.gz OCDOLGKLKPMXLK-GFCCVEGCSA-N 1 0 394.273 1.486 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])c(I)c1 ZINC000415791590 531531326 /nfs/dbraw/zinc/53/13/26/531531326.db2.gz SMWSSJNUPIEUHA-YUMQZZPRSA-N 1 0 391.209 1.090 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000557864615 531532398 /nfs/dbraw/zinc/53/23/98/531532398.db2.gz UIZAZKVFEQCALP-NSHDSACASA-N 1 0 395.319 1.703 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000415796944 531532328 /nfs/dbraw/zinc/53/23/28/531532328.db2.gz YTWJIDJRDJGIEL-SECBINFHSA-N 1 0 394.216 1.803 20 0 GDADRO CN(C)S(=O)(=O)c1cc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccc1F ZINC000415719494 531520162 /nfs/dbraw/zinc/52/01/62/531520162.db2.gz HMVSPUAOTBRQAD-GFCCVEGCSA-N 1 0 380.392 1.195 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)s1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636097840 531536709 /nfs/dbraw/zinc/53/67/09/531536709.db2.gz JYKSNPXJOXUUBM-PHIMTYICSA-N 1 0 386.315 1.983 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1=O ZINC000636120973 531538690 /nfs/dbraw/zinc/53/86/90/531538690.db2.gz RYOVNVRKKDSQMM-UHFFFAOYSA-N 1 0 377.247 1.561 20 0 GDADRO C[C@@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C[C@@H](C)[NH2+]1 ZINC000582182074 531539499 /nfs/dbraw/zinc/53/94/99/531539499.db2.gz OPUMQOMIKDLVPY-GHMZBOCLSA-N 1 0 375.288 1.432 20 0 GDADRO COc1cc([C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)ccc1OC(F)F ZINC000551572254 531541285 /nfs/dbraw/zinc/54/12/85/531541285.db2.gz HLWKRVCMLOUZJI-NSHDSACASA-N 1 0 379.425 1.887 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000659111893 531541550 /nfs/dbraw/zinc/54/15/50/531541550.db2.gz LFGMYAZKERXJBS-SSDOTTSWSA-N 1 0 378.654 1.774 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1Br ZINC000659104329 531541624 /nfs/dbraw/zinc/54/16/24/531541624.db2.gz JHDWUGZVUKSWSR-UHFFFAOYSA-N 1 0 382.258 1.655 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1Cl ZINC000415846984 531541855 /nfs/dbraw/zinc/54/18/55/531541855.db2.gz WMAPNBXOMHKJNU-LLVKDONJSA-N 1 0 383.754 1.692 20 0 GDADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@H]3C[NH2+]CCN3C)cc2s1 ZINC000415854227 531543520 /nfs/dbraw/zinc/54/35/20/531543520.db2.gz MSLATKUFUSWUGB-SNVBAGLBSA-N 1 0 381.889 1.216 20 0 GDADRO O[C@@H](C[NH2+]Cc1nc2c(cccc2Br)[nH]1)COC1CCOCC1 ZINC000582236926 531543631 /nfs/dbraw/zinc/54/36/31/531543631.db2.gz TZFSWILFTVTKGA-NSHDSACASA-N 1 0 384.274 1.972 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1C[NH3+] ZINC000415855742 531544098 /nfs/dbraw/zinc/54/40/98/531544098.db2.gz YXMCPSAXTHGDEA-WDEREUQCSA-N 1 0 387.889 1.125 20 0 GDADRO CC[N@H+](C)CCNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000491004782 531545863 /nfs/dbraw/zinc/54/58/63/531545863.db2.gz JHUIUILALAZBCL-UHFFFAOYSA-N 1 0 376.910 1.259 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000582295460 531547831 /nfs/dbraw/zinc/54/78/31/531547831.db2.gz NXMWZGRBSADJCZ-NSHDSACASA-N 1 0 386.265 1.744 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c(Br)c1 ZINC000415873747 531548297 /nfs/dbraw/zinc/54/82/97/531548297.db2.gz VLBJHCRQIGDVOZ-MNOVXSKESA-N 1 0 382.258 1.464 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000659486452 531548411 /nfs/dbraw/zinc/54/84/11/531548411.db2.gz MBLMTAGHVGCMCS-CHHLVHLRSA-N 1 0 393.285 1.687 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000659470355 531548675 /nfs/dbraw/zinc/54/86/75/531548675.db2.gz BTUGFKUNIIZYPZ-LBPRGKRZSA-N 1 0 385.306 1.693 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)s1 ZINC000415881096 531550220 /nfs/dbraw/zinc/55/02/20/531550220.db2.gz HFTPUUBGZXCJSL-UHFFFAOYSA-N 1 0 380.495 1.624 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000415899554 531550284 /nfs/dbraw/zinc/55/02/84/531550284.db2.gz VHTYYOSPNCUHJC-QWRGUYRKSA-N 1 0 382.258 1.464 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC000451118389 531551955 /nfs/dbraw/zinc/55/19/55/531551955.db2.gz XUZCVGVQWTWZKB-ZDUSSCGKSA-N 1 0 393.506 1.350 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000415801522 531534236 /nfs/dbraw/zinc/53/42/36/531534236.db2.gz GNDRBUJDUYXDTH-BDAKNGLRSA-N 1 0 375.210 1.390 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658960863 531534269 /nfs/dbraw/zinc/53/42/69/531534269.db2.gz XZSSNEDQIMOJAR-AWEZNQCLSA-N 1 0 382.302 1.849 20 0 GDADRO C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000658974814 531535016 /nfs/dbraw/zinc/53/50/16/531535016.db2.gz YEIRFTPWMFTWHM-MFKMUULPSA-N 1 0 379.404 1.179 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415817060 531536245 /nfs/dbraw/zinc/53/62/45/531536245.db2.gz YHGXZOSKHAZOSP-IUCAKERBSA-N 1 0 386.246 1.416 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000659702501 531554869 /nfs/dbraw/zinc/55/48/69/531554869.db2.gz QSVXBKLOZAVVHV-UHFFFAOYSA-N 1 0 381.786 1.089 20 0 GDADRO COc1ccc(CC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1S(N)(=O)=O ZINC000558273359 531555137 /nfs/dbraw/zinc/55/51/37/531555137.db2.gz ORNLPMCGJYRJCB-SMDDNHRTSA-N 1 0 382.404 1.585 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000659712102 531556493 /nfs/dbraw/zinc/55/64/93/531556493.db2.gz HPKVERZQXUZUIX-LBPRGKRZSA-N 1 0 385.295 1.510 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280912386 531557025 /nfs/dbraw/zinc/55/70/25/531557025.db2.gz QMBWHDXTQRXOEP-CQSZACIVSA-N 1 0 389.905 1.148 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000659727545 531557214 /nfs/dbraw/zinc/55/72/14/531557214.db2.gz JNLSIAGCPSFOSV-VXGBXAGGSA-N 1 0 387.311 1.884 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)C2 ZINC000659720210 531557665 /nfs/dbraw/zinc/55/76/65/531557665.db2.gz BTAWWSHZWFBZMT-SMDDNHRTSA-N 1 0 380.286 1.714 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659728446 531557701 /nfs/dbraw/zinc/55/77/01/531557701.db2.gz ONCPMHZMORTUPZ-OLZOCXBDSA-N 1 0 397.317 1.340 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000659746301 531559018 /nfs/dbraw/zinc/55/90/18/531559018.db2.gz JZTAZYJGCPIMGL-OAHLLOKOSA-N 1 0 382.302 1.823 20 0 GDADRO C[C@]1(NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]C1 ZINC000612902601 531559351 /nfs/dbraw/zinc/55/93/51/531559351.db2.gz CJAXRIKBMXMRTH-CJNGLKHVSA-N 1 0 381.274 1.606 20 0 GDADRO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000492067554 531559739 /nfs/dbraw/zinc/55/97/39/531559739.db2.gz MQNWVUPJKWOMES-HZPDHXFCSA-N 1 0 376.567 1.658 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000659739117 531559683 /nfs/dbraw/zinc/55/96/83/531559683.db2.gz NVNIZELBNPDRCW-SNVBAGLBSA-N 1 0 377.329 1.977 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)CCCC1 ZINC000659733529 531559700 /nfs/dbraw/zinc/55/97/00/531559700.db2.gz ZHVOSFCIEGNMII-UHFFFAOYSA-N 1 0 398.276 1.861 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000583142762 531565242 /nfs/dbraw/zinc/56/52/42/531565242.db2.gz KNQBAFMPWGBGSE-CHWSQXEVSA-N 1 0 395.497 1.185 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)C(=O)NCc1cc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000636583940 531565505 /nfs/dbraw/zinc/56/55/05/531565505.db2.gz PMTSTSVZQLHYKW-CQSZACIVSA-N 1 0 384.267 1.752 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636619214 531567499 /nfs/dbraw/zinc/56/74/99/531567499.db2.gz XIGHDLJFUZZWQW-CYBMUJFWSA-N 1 0 398.276 1.900 20 0 GDADRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000416021291 531554370 /nfs/dbraw/zinc/55/43/70/531554370.db2.gz CXMPAVWXRLQKFG-WCQYABFASA-N 1 0 381.420 1.736 20 0 GDADRO CC[NH2+]CCCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000583371243 531573461 /nfs/dbraw/zinc/57/34/61/531573461.db2.gz MWSRDVVFFZJSMD-AWEZNQCLSA-N 1 0 383.290 1.853 20 0 GDADRO CC[N@H+](CCNC(=O)Nc1cccc(S(N)(=O)=O)c1)CCC(F)(F)F ZINC000493310885 531571554 /nfs/dbraw/zinc/57/15/54/531571554.db2.gz OYEUDDBXRGOGTO-UHFFFAOYSA-N 1 0 382.408 1.730 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000268793983 531571785 /nfs/dbraw/zinc/57/17/85/531571785.db2.gz NHRULRNDTVPZRR-RYUDHWBXSA-N 1 0 388.511 1.648 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000583371705 531574236 /nfs/dbraw/zinc/57/42/36/531574236.db2.gz ZXTPVQYQDIGZHB-LWWSYDQCSA-N 1 0 380.286 1.617 20 0 GDADRO C[NH2+][C@H]1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000583380973 531574269 /nfs/dbraw/zinc/57/42/69/531574269.db2.gz PIKQJDIPHOAGNF-JKSUJKDBSA-N 1 0 385.917 1.568 20 0 GDADRO CNC(=O)C[C@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000268841267 531577087 /nfs/dbraw/zinc/57/70/87/531577087.db2.gz MSHMMVXVOVBHKN-JQWIXIFHSA-N 1 0 392.237 1.145 20 0 GDADRO CNC(=O)C[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000268841271 531577115 /nfs/dbraw/zinc/57/71/15/531577115.db2.gz MSHMMVXVOVBHKN-ZYHUDNBSSA-N 1 0 392.237 1.145 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000493889358 531580104 /nfs/dbraw/zinc/58/01/04/531580104.db2.gz UVDCLWJGRKPFAQ-TXEJJXNPSA-N 1 0 388.921 1.211 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000583534953 531583146 /nfs/dbraw/zinc/58/31/46/531583146.db2.gz NCCLFULYMGZGIX-HNNXBMFYSA-N 1 0 391.559 1.005 20 0 GDADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2cnn(CC(F)F)c2)cc1F ZINC000493892652 531583842 /nfs/dbraw/zinc/58/38/42/531583842.db2.gz XWYQNDDRWJFBJO-UHFFFAOYSA-N 1 0 376.404 1.827 20 0 GDADRO CC1CC[NH+](CCCCNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)CC1 ZINC000416371249 531583997 /nfs/dbraw/zinc/58/39/97/531583997.db2.gz LHRPFEFBBWDNRN-UHFFFAOYSA-N 1 0 382.592 1.631 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000295508499 531589498 /nfs/dbraw/zinc/58/94/98/531589498.db2.gz PSPZAZKJSNGMLN-HNNXBMFYSA-N 1 0 399.285 1.812 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(Cl)c(OC)c3)C2)CC1 ZINC000416382444 531590149 /nfs/dbraw/zinc/59/01/49/531590149.db2.gz FKNSAALMHBJPPK-AWEZNQCLSA-N 1 0 387.933 1.749 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CCCS(C)(=O)=O)ccc1S(=O)(=O)C(F)F ZINC000268960307 531591661 /nfs/dbraw/zinc/59/16/61/531591661.db2.gz ZVKWZHAVTPWICC-SNVBAGLBSA-N 1 0 385.454 1.777 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494287457 531594468 /nfs/dbraw/zinc/59/44/68/531594468.db2.gz JNZMTCHEHCTKSS-ZFWWWQNUSA-N 1 0 377.869 1.280 20 0 GDADRO Cn1cc(C[C@@H](CO)[NH2+]CCC(=O)Nc2cccc(Br)c2)cn1 ZINC000583812329 531595919 /nfs/dbraw/zinc/59/59/19/531595919.db2.gz COZLBCZPFTYBNV-HNNXBMFYSA-N 1 0 381.274 1.704 20 0 GDADRO CN(C(=O)NCCN1CC[NH2+]CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000637039142 531596548 /nfs/dbraw/zinc/59/65/48/531596548.db2.gz GBIDSNBSYMQKIJ-CVEARBPZSA-N 1 0 387.311 1.498 20 0 GDADRO CSCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000269046608 531602435 /nfs/dbraw/zinc/60/24/35/531602435.db2.gz FUFOMUVUIHWZFV-INIZCTEOSA-N 1 0 385.555 1.217 20 0 GDADRO O=S(=O)(c1ccccc1C(F)(F)F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660091738 531602770 /nfs/dbraw/zinc/60/27/70/531602770.db2.gz KNPKVCVJEBFVMP-CYBMUJFWSA-N 1 0 378.416 1.925 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416404670 531602119 /nfs/dbraw/zinc/60/21/19/531602119.db2.gz AQGCWVVKQWTEQA-UHFFFAOYSA-N 1 0 378.878 1.373 20 0 GDADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660095604 531605087 /nfs/dbraw/zinc/60/50/87/531605087.db2.gz KZXLTNLSVBQNKQ-GFCCVEGCSA-N 1 0 379.404 1.320 20 0 GDADRO CCN(CCCO)C(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637118280 531606395 /nfs/dbraw/zinc/60/63/95/531606395.db2.gz KXLRTQZUDRUPHJ-OAHLLOKOSA-N 1 0 390.311 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CC[C@@H]([NH2+]C)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000662433720 531678226 /nfs/dbraw/zinc/67/82/26/531678226.db2.gz QVVFIBQSNCRYGN-LLVKDONJSA-N 1 0 379.935 1.623 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639027633 531679460 /nfs/dbraw/zinc/67/94/60/531679460.db2.gz OSEHUIOIBXAMJE-DZGCQCFKSA-N 1 0 380.286 1.779 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H]3CC[C@H]([NH3+])CC3)C2)s1 ZINC000639026472 531679557 /nfs/dbraw/zinc/67/95/57/531679557.db2.gz IWSCFUVCDKHICF-RBSFLKMASA-N 1 0 385.555 1.843 20 0 GDADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639022633 531680453 /nfs/dbraw/zinc/68/04/53/531680453.db2.gz KIJJYVBZWMDVJF-YGRLFVJLSA-N 1 0 394.269 1.994 20 0 GDADRO [NH3+][C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000662438965 531680495 /nfs/dbraw/zinc/68/04/95/531680495.db2.gz GDXCLZXPHXZULS-UMSPYCQHSA-N 1 0 392.308 1.564 20 0 GDADRO OCCOC1(C[NH2+]Cc2cnn3cc(Br)cnc23)CCOCC1 ZINC000639140462 531683449 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CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000561223270 531688038 /nfs/dbraw/zinc/68/80/38/531688038.db2.gz DUKMVSRVGVWLQF-WCQYABFASA-N 1 0 393.843 1.807 20 0 GDADRO Cc1nn(C)c(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1Br ZINC000365681544 531671674 /nfs/dbraw/zinc/67/16/74/531671674.db2.gz SKBBRXGJCFLMGD-DZGCQCFKSA-N 1 0 384.366 1.949 20 0 GDADRO CC[C@H]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000639560895 531694055 /nfs/dbraw/zinc/69/40/55/531694055.db2.gz DHKMWFSMXNHJCO-INIZCTEOSA-N 1 0 387.933 1.921 20 0 GDADRO C[N@H+](C[C@H](O)CC1(O)CCOCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000639554263 531694230 /nfs/dbraw/zinc/69/42/30/531694230.db2.gz KNJCKMGJDQLNPB-CVEARBPZSA-N 1 0 388.302 1.707 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000662726637 531694572 /nfs/dbraw/zinc/69/45/72/531694572.db2.gz HQYKWNOXCRVBGJ-CYBMUJFWSA-N 1 0 381.274 1.649 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000269636128 531700624 /nfs/dbraw/zinc/70/06/24/531700624.db2.gz BRLFYYSQBZYXEN-LBPRGKRZSA-N 1 0 389.905 1.041 20 0 GDADRO CC(C)C[C@H](CNc1ncc(Br)cc1S(N)(=O)=O)[NH+](C)C ZINC000504033780 531697882 /nfs/dbraw/zinc/69/78/82/531697882.db2.gz LIZHFGHCZQUXFL-LLVKDONJSA-N 1 0 379.324 1.880 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1cccc(Br)c1F ZINC000282062938 531699287 /nfs/dbraw/zinc/69/92/87/531699287.db2.gz ZAPANHJFCCKLIV-UHFFFAOYSA-N 1 0 395.294 1.713 20 0 GDADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000618989263 531699410 /nfs/dbraw/zinc/69/94/10/531699410.db2.gz LSWILRBRQGNJNE-GFCCVEGCSA-N 1 0 393.962 1.916 20 0 GDADRO O=C(NCc1n[nH]cc1Br)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000561249016 531689756 /nfs/dbraw/zinc/68/97/56/531689756.db2.gz CCHUMQDASHVXIO-RISCZKNCSA-N 1 0 398.305 1.169 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000662954121 531702293 /nfs/dbraw/zinc/70/22/93/531702293.db2.gz LMCGCAMJCHTJCX-GFCCVEGCSA-N 1 0 385.295 1.462 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000662942342 531702424 /nfs/dbraw/zinc/70/24/24/531702424.db2.gz LCMDSRPGLIUNDN-UHFFFAOYSA-N 1 0 386.265 1.669 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000662959642 531702676 /nfs/dbraw/zinc/70/26/76/531702676.db2.gz KHXNBVUTKGPTDW-ZDUSSCGKSA-N 1 0 381.523 1.607 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000662963477 531703176 /nfs/dbraw/zinc/70/31/76/531703176.db2.gz PYHUUSKEUVDMEU-MNOVXSKESA-N 1 0 377.304 1.583 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000662962882 531704378 /nfs/dbraw/zinc/70/43/78/531704378.db2.gz OCEPHLBKLIIHCO-JTQLQIEISA-N 1 0 377.304 1.726 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000662968043 531704524 /nfs/dbraw/zinc/70/45/24/531704524.db2.gz QNXJSCIQQYHUTC-MRVPVSSYSA-N 1 0 387.811 1.361 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)C2 ZINC000662994068 531705814 /nfs/dbraw/zinc/70/58/14/531705814.db2.gz RMIXQFPWEGQFQL-QGZVFWFLSA-N 1 0 380.286 1.797 20 0 GDADRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000639852976 531705954 /nfs/dbraw/zinc/70/59/54/531705954.db2.gz WXAPNRPJLMEQSY-IAQYHMDHSA-N 1 0 375.238 1.734 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000296572727 531706811 /nfs/dbraw/zinc/70/68/11/531706811.db2.gz TTZWJAPGWJNSFH-TZMCWYRMSA-N 1 0 377.532 1.427 20 0 GDADRO CCCOc1ccc(Br)cc1C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639846656 531707013 /nfs/dbraw/zinc/70/70/13/531707013.db2.gz PZMQBCPHUDJIDD-CHWSQXEVSA-N 1 0 384.274 1.257 20 0 GDADRO COC[C@@](C)(CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000639955592 531712186 /nfs/dbraw/zinc/71/21/86/531712186.db2.gz PXTDYUIHQNTEDK-BXUZGUMPSA-N 1 0 382.682 1.829 20 0 GDADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639948159 531709729 /nfs/dbraw/zinc/70/97/29/531709729.db2.gz AAFPXXRNDBQGGT-LWNYNHHKSA-N 1 0 394.269 1.761 20 0 GDADRO O=C(CN1CC[C@H]2CC[NH2+][C@H]2C1)Nc1ccc(I)cc1 ZINC000591447836 531723164 /nfs/dbraw/zinc/72/31/64/531723164.db2.gz ALUFPOMYEOFWLU-RISCZKNCSA-N 1 0 385.249 1.914 20 0 GDADRO NC(=O)c1c(F)cc(Br)cc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664599232 531724578 /nfs/dbraw/zinc/72/45/78/531724578.db2.gz LTORIBHHGWECAE-GFCCVEGCSA-N 1 0 386.265 1.723 20 0 GDADRO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000664592654 531725350 /nfs/dbraw/zinc/72/53/50/531725350.db2.gz XCBUOJQMIHGELB-RHSMWYFYSA-N 1 0 375.535 1.142 20 0 GDADRO NS(=O)(=O)c1sc(Cl)cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296826142 531728750 /nfs/dbraw/zinc/72/87/50/531728750.db2.gz DOWKRGJAGFMAKD-UHFFFAOYSA-N 1 0 377.919 1.796 20 0 GDADRO C[NH+]1CCN(C[C@@H](O)COc2cccc(F)c2I)CC1 ZINC000591241776 531713176 /nfs/dbraw/zinc/71/31/76/531713176.db2.gz PEWMLSLVBFIDDU-LLVKDONJSA-N 1 0 394.228 1.417 20 0 GDADRO COc1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ncc1Br ZINC000639961394 531713193 /nfs/dbraw/zinc/71/31/93/531713193.db2.gz RPDSHSJAXPQKCQ-GFCCVEGCSA-N 1 0 399.289 1.916 20 0 GDADRO COC[C@@](C)(CO)[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000639955231 531713234 /nfs/dbraw/zinc/71/32/34/531713234.db2.gz LVPLCIXNTLNETP-MRXNPFEDSA-N 1 0 391.299 1.024 20 0 GDADRO NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC[C@H]2C(F)F)cc1 ZINC000663464253 531713648 /nfs/dbraw/zinc/71/36/48/531713648.db2.gz AYODYGWMTLAAEV-AWEZNQCLSA-N 1 0 375.441 1.112 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000451924343 531716538 /nfs/dbraw/zinc/71/65/38/531716538.db2.gz DCJXWYUYVVVTFZ-VIFPVBQESA-N 1 0 379.276 1.464 20 0 GDADRO O=C(Cc1cccc(I)c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000619873748 531719638 /nfs/dbraw/zinc/71/96/38/531719638.db2.gz ULHZRYTWINMMQP-OAHLLOKOSA-N 1 0 399.276 1.340 20 0 GDADRO COC[C@@]1(CO)CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000451934041 531719529 /nfs/dbraw/zinc/71/95/29/531719529.db2.gz VFSUJSBEMPTKCR-DYVFJYSZSA-N 1 0 385.302 1.957 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1ccc2cccc(Br)c2n1 ZINC000269742658 531732659 /nfs/dbraw/zinc/73/26/59/531732659.db2.gz WEBYGNMSCFNOMP-NSHDSACASA-N 1 0 386.271 1.698 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000665528914 531734863 /nfs/dbraw/zinc/73/48/63/531734863.db2.gz RUNBQNGCIWIILH-UHFFFAOYSA-N 1 0 398.301 1.540 20 0 GDADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[C@H]1COCC[NH2+]1 ZINC000591686707 531735225 /nfs/dbraw/zinc/73/52/25/531735225.db2.gz QSBOFIRAZWRDDI-AWEZNQCLSA-N 1 0 389.279 1.916 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(Br)c(F)c2)n1 ZINC000562138404 531735439 /nfs/dbraw/zinc/73/54/39/531735439.db2.gz BUZNYDXCJNWDQQ-UHFFFAOYSA-N 1 0 398.236 1.924 20 0 GDADRO Cn1cc(Br)c(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)n1 ZINC000640310656 531736794 /nfs/dbraw/zinc/73/67/94/531736794.db2.gz RQTSPXZSUNQOIM-UHFFFAOYSA-N 1 0 392.301 2.403 20 0 GDADRO Cn1cc(Br)c(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000640310968 531736899 /nfs/dbraw/zinc/73/68/99/531736899.db2.gz XATLNCDDLVZYSS-UHFFFAOYSA-N 1 0 386.294 1.759 20 0 GDADRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000366376902 531742017 /nfs/dbraw/zinc/74/20/17/531742017.db2.gz LFKPHGWWIMGUSB-LLVKDONJSA-N 1 0 387.424 1.054 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000416907041 531744196 /nfs/dbraw/zinc/74/41/96/531744196.db2.gz BEBOCADUIUKLGP-OLZOCXBDSA-N 1 0 388.559 1.718 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCC(C[NH3+])CC2)s1 ZINC000416925892 531745837 /nfs/dbraw/zinc/74/58/37/531745837.db2.gz YUKRZPGTYNLYIE-UHFFFAOYSA-N 1 0 388.559 1.659 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)s1 ZINC000416926780 531746264 /nfs/dbraw/zinc/74/62/64/531746264.db2.gz ZPCVLUSMTJDPNL-QWHCGFSZSA-N 1 0 388.559 1.705 20 0 GDADRO Cc1nc(N2C[C@H](C)S(=O)[C@@H](C)C2)cc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)[nH+]1 ZINC000562308231 531746586 /nfs/dbraw/zinc/74/65/86/531746586.db2.gz VTSXUMXEAIADDL-LEIMKEHXSA-N 1 0 384.571 1.476 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000666084791 531746838 /nfs/dbraw/zinc/74/68/38/531746838.db2.gz IGPAOVSDNGMXEF-SWLSCSKDSA-N 1 0 395.301 1.855 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000282400202 531748683 /nfs/dbraw/zinc/74/86/83/531748683.db2.gz DMIIGPYMEWUKMN-NSHDSACASA-N 1 0 384.893 1.671 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCCC1 ZINC000416958843 531748749 /nfs/dbraw/zinc/74/87/49/531748749.db2.gz UQOXIMJVJPGGRZ-HNNXBMFYSA-N 1 0 388.921 1.435 20 0 GDADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000366522296 531753444 /nfs/dbraw/zinc/75/34/44/531753444.db2.gz MYFYIQCDEJACHH-RYUDHWBXSA-N 1 0 389.880 1.554 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000417096559 531754264 /nfs/dbraw/zinc/75/42/64/531754264.db2.gz ADXCFOJQNFZXPK-HNNXBMFYSA-N 1 0 383.334 1.930 20 0 GDADRO Cc1nc(-c2ccc(S(=O)(=O)NCC3(O)CC[NH+](C)CC3)s2)cs1 ZINC000269780352 531754350 /nfs/dbraw/zinc/75/43/50/531754350.db2.gz ORAOQRQVEFJSDD-UHFFFAOYSA-N 1 0 387.552 1.915 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000366559772 531757836 /nfs/dbraw/zinc/75/78/36/531757836.db2.gz ZOBCXTQDOMRNBL-ONGXEEELSA-N 1 0 386.315 1.887 20 0 GDADRO O=C(NCCNC(=O)c1ccc(Br)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000417206291 531758653 /nfs/dbraw/zinc/75/86/53/531758653.db2.gz JRMJAXUYGGVTAG-LBPRGKRZSA-N 1 0 383.290 1.478 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417210196 531758944 /nfs/dbraw/zinc/75/89/44/531758944.db2.gz QMTKUPRLBQUVPV-MRXNPFEDSA-N 1 0 383.290 1.559 20 0 GDADRO CC1(C)CN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000417208766 531759172 /nfs/dbraw/zinc/75/91/72/531759172.db2.gz PDYQJWADOAXKHN-UHFFFAOYSA-N 1 0 383.290 1.572 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccc(Br)cn1 ZINC000621837286 531760230 /nfs/dbraw/zinc/76/02/30/531760230.db2.gz DKQYVWDYAWSWRQ-MMPTUQATSA-N 1 0 381.274 1.361 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621843877 531760938 /nfs/dbraw/zinc/76/09/38/531760938.db2.gz MSDQFWMJDNPUHV-PXAZEXFGSA-N 1 0 396.285 1.414 20 0 GDADRO COCC[NH2+]CCc1cn(CC(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640759173 531761124 /nfs/dbraw/zinc/76/11/24/531761124.db2.gz ISAWZNMBRTTZMI-UHFFFAOYSA-N 1 0 396.289 1.766 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(CC(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640759555 531761133 /nfs/dbraw/zinc/76/11/33/531761133.db2.gz WEJCCIJZEGGVCV-LLVKDONJSA-N 1 0 382.262 1.504 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1Br ZINC000621844942 531761345 /nfs/dbraw/zinc/76/13/45/531761345.db2.gz ZLSMRXKAZNSFEW-SJCJKPOMSA-N 1 0 396.285 1.414 20 0 GDADRO O=C(NCC(F)(F)c1ccc(Br)cc1)C(=O)N1CC[NH2+]CC1 ZINC000621848801 531761428 /nfs/dbraw/zinc/76/14/28/531761428.db2.gz HUKSBZDDQNTUAR-UHFFFAOYSA-N 1 0 376.201 1.089 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621847728 531761447 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COC[C@@H]([NH3+])Cc1cn(CC(=O)N[C@H](C)c2ccc(Br)cc2)nn1 ZINC000640847152 531766073 /nfs/dbraw/zinc/76/60/73/531766073.db2.gz ICIONRZVTXLJOR-RISCZKNCSA-N 1 0 396.289 1.434 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NC[C@@H]([NH3+])C(C)C)s1 ZINC000417520687 531780177 /nfs/dbraw/zinc/78/01/77/531780177.db2.gz XUNAVDKDFXWVJZ-CQSZACIVSA-N 1 0 390.575 1.604 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CCO1 ZINC000667401077 531780714 /nfs/dbraw/zinc/78/07/14/531780714.db2.gz ZWQNCGVXEORDCZ-QPUJVOFHSA-N 1 0 390.665 1.616 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCCNC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000417566274 531780859 /nfs/dbraw/zinc/78/08/59/531780859.db2.gz QXJSAQAFTNKNAH-LLVKDONJSA-N 1 0 399.289 1.239 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCCNC(=O)N[C@H](C)C[NH3+])c1 ZINC000417565118 531781173 /nfs/dbraw/zinc/78/11/73/531781173.db2.gz PGMDCJIDQVKDEY-SNVBAGLBSA-N 1 0 387.278 1.224 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCCNC(=O)N[C@@H](C)C[NH3+])c1 ZINC000417565117 531781740 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[NH3+]CCN(CCO)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417415744 531767775 /nfs/dbraw/zinc/76/77/75/531767775.db2.gz YPCWHAPHCYRPEJ-UHFFFAOYSA-N 1 0 382.205 1.513 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417402289 531767975 /nfs/dbraw/zinc/76/79/75/531767975.db2.gz BNMABCFPKFWKQJ-RYUDHWBXSA-N 1 0 383.290 1.558 20 0 GDADRO COc1ccc(CNC(=O)NCCCN2CC[NH2+]CC2)cc1Br ZINC000417432195 531769583 /nfs/dbraw/zinc/76/95/83/531769583.db2.gz SLJQYRHESHPECI-UHFFFAOYSA-N 1 0 385.306 1.552 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H]1SC ZINC000592165907 531769666 /nfs/dbraw/zinc/76/96/66/531769666.db2.gz BKMLRUNFLWCSEI-QOWREQOWSA-N 1 0 387.527 1.160 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CCCO1 ZINC000417601615 531783064 /nfs/dbraw/zinc/78/30/64/531783064.db2.gz MCANSBAQHSPKFZ-KBPBESRZSA-N 1 0 397.317 1.787 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000509770459 531783134 /nfs/dbraw/zinc/78/31/34/531783134.db2.gz JYXYYLDDEJLHFL-CQSZACIVSA-N 1 0 381.523 1.607 20 0 GDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2N)c2ccccc2O1 ZINC000366707926 531770901 /nfs/dbraw/zinc/77/09/01/531770901.db2.gz IUZJPRLCYLSCIU-GFCCVEGCSA-N 1 0 382.873 1.835 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417437171 531771120 /nfs/dbraw/zinc/77/11/20/531771120.db2.gz QAPLMXSMNSSLOS-FZMZJTMJSA-N 1 0 383.290 1.700 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417439416 531771405 /nfs/dbraw/zinc/77/14/05/531771405.db2.gz WASMMNFKQVPNQY-CQSZACIVSA-N 1 0 383.290 1.702 20 0 GDADRO O=C(NCCCNC(=O)c1cccc(Br)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000417435553 531772076 /nfs/dbraw/zinc/77/20/76/531772076.db2.gz NHSWTVYSFBHRRD-CYBMUJFWSA-N 1 0 397.317 1.868 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000417435151 531772092 /nfs/dbraw/zinc/77/20/92/531772092.db2.gz NSMOMOXLHUXIDD-RISCZKNCSA-N 1 0 383.290 1.619 20 0 GDADRO C[NH2+]Cc1cn(CC(=O)N(C)CCOc2ccc(Br)cc2)nn1 ZINC000640881205 531772378 /nfs/dbraw/zinc/77/23/78/531772378.db2.gz BOLBOZIZUAJNPE-UHFFFAOYSA-N 1 0 382.262 1.297 20 0 GDADRO COc1cc(Br)c(CNC(=O)N2CCO[C@@H](C[NH3+])C2)cc1OC ZINC000417444528 531772959 /nfs/dbraw/zinc/77/29/59/531772959.db2.gz CZQHERYYWFWQLV-NSHDSACASA-N 1 0 388.262 1.335 20 0 GDADRO O=C(COc1ccc(Br)cc1F)NC[C@H]1CCC[N@H+]1CCCO ZINC000452351551 531773085 /nfs/dbraw/zinc/77/30/85/531773085.db2.gz PXHPNNLMEOAOFF-CYBMUJFWSA-N 1 0 389.265 1.930 20 0 GDADRO Cc1ncsc1CCS(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000562712932 531773097 /nfs/dbraw/zinc/77/30/97/531773097.db2.gz VVZJNUPVYLAUSW-UHFFFAOYSA-N 1 0 391.559 1.529 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)N[C@@H]1CCC[NH2+]CC1 ZINC000641023551 531774174 /nfs/dbraw/zinc/77/41/74/531774174.db2.gz FVFZYVFLRIYQBF-OLZOCXBDSA-N 1 0 386.290 1.630 20 0 GDADRO [NH3+][C@H](c1cn(CC(=O)NC2CCOCC2)nn1)c1ccc(Br)cc1 ZINC000641027830 531774213 /nfs/dbraw/zinc/77/42/13/531774213.db2.gz QCCRTFDZSMTVJU-INIZCTEOSA-N 1 0 394.273 1.384 20 0 GDADRO O=C(NCCCNC(=O)c1ccc(Br)cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000417467373 531775177 /nfs/dbraw/zinc/77/51/77/531775177.db2.gz WHXCECRWOMWBHL-ZDUSSCGKSA-N 1 0 397.317 1.868 20 0 GDADRO C[C@H]1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)[C@@H](C)[C@H]1[NH3+] ZINC000297277208 531777084 /nfs/dbraw/zinc/77/70/84/531777084.db2.gz BGUIGMXPSJYUFA-DINDLPBHSA-N 1 0 396.285 1.759 20 0 GDADRO [NH3+]C1CCN(CCc2cn(Cc3ncc(Br)cc3F)nn2)CC1 ZINC000641105251 531777164 /nfs/dbraw/zinc/77/71/64/531777164.db2.gz YZDCTYJGYNYWGR-UHFFFAOYSA-N 1 0 383.269 1.589 20 0 GDADRO COC[C@H]([NH3+])Cc1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641103384 531777479 /nfs/dbraw/zinc/77/74/79/531777479.db2.gz BQMGLQIEJMECLX-IUODEOHRSA-N 1 0 394.273 1.535 20 0 GDADRO CN1CCN(C(=O)c2ccc(I)c(F)c2)[C@@H](C[NH3+])C1 ZINC000592309894 531777544 /nfs/dbraw/zinc/77/75/44/531777544.db2.gz ZDOIPBOPESKXRJ-JTQLQIEISA-N 1 0 377.201 1.145 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417494936 531777873 /nfs/dbraw/zinc/77/78/73/531777873.db2.gz YUWXPAZNTXTXDN-SWLSCSKDSA-N 1 0 397.317 1.996 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417494935 531778185 /nfs/dbraw/zinc/77/81/85/531778185.db2.gz YUWXPAZNTXTXDN-IUODEOHRSA-N 1 0 397.317 1.996 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)COc2ccc(I)cc2)CCO1 ZINC000592310661 531778418 /nfs/dbraw/zinc/77/84/18/531778418.db2.gz XGFUVMZFUXIGIM-ZWNOBZJWSA-N 1 0 390.221 1.245 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N(C)[C@H](C)C[NH3+])s1 ZINC000417518099 531779840 /nfs/dbraw/zinc/77/98/40/531779840.db2.gz RQPMUIHENSWBSK-GFCCVEGCSA-N 1 0 376.548 1.310 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418086708 531801270 /nfs/dbraw/zinc/80/12/70/531801270.db2.gz DLXSVIZMZBNKMA-BXUZGUMPSA-N 1 0 383.290 1.852 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000562841962 531783580 /nfs/dbraw/zinc/78/35/80/531783580.db2.gz YUSANHMFEOSXSK-UHFFFAOYSA-N 1 0 397.722 1.838 20 0 GDADRO Cn1ncc(Br)c1Cn1cc(COc2ccc(C[NH3+])cc2)nn1 ZINC000641162806 531783617 /nfs/dbraw/zinc/78/36/17/531783617.db2.gz VOICSDUSKDVFKN-UHFFFAOYSA-N 1 0 377.246 1.860 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418087432 531801874 /nfs/dbraw/zinc/80/18/74/531801874.db2.gz HCRPCCYMKXEGOL-JSGCOSHPSA-N 1 0 381.274 1.687 20 0 GDADRO CN(C(=O)c1ccc(Br)cc1-n1cnnn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000622799911 531784704 /nfs/dbraw/zinc/78/47/04/531784704.db2.gz VXIBZICVVSQWJI-CYBMUJFWSA-N 1 0 391.273 1.734 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000417784636 531784851 /nfs/dbraw/zinc/78/48/51/531784851.db2.gz IWUNVKVGSSVIND-CYBMUJFWSA-N 1 0 388.559 1.502 20 0 GDADRO O=C(Nc1ccncc1I)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592426182 531786003 /nfs/dbraw/zinc/78/60/03/531786003.db2.gz LBYXXTMQTPCNKD-LBPRGKRZSA-N 1 0 386.237 1.904 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000592435083 531786098 /nfs/dbraw/zinc/78/60/98/531786098.db2.gz RGVDDKWJZLHYPO-HNNXBMFYSA-N 1 0 384.267 1.911 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(C[C@@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000641206099 531786891 /nfs/dbraw/zinc/78/68/91/531786891.db2.gz ZTHSHHQTFADGTB-CMPLNLGQSA-N 1 0 375.256 1.541 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(C[C@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000641206280 531787447 /nfs/dbraw/zinc/78/74/47/531787447.db2.gz RIYHLIGDXDFUOD-JQWIXIFHSA-N 1 0 375.256 1.541 20 0 GDADRO C[N@H+](C[C@@H](O)Cn1cc(C(=O)c2ccc(Br)cc2F)nn1)C1CC1 ZINC000641223911 531788434 /nfs/dbraw/zinc/78/84/34/531788434.db2.gz UMPNUBFRTUUNBK-GFCCVEGCSA-N 1 0 397.248 1.866 20 0 GDADRO [NH3+][C@H](CNC(=O)NCc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000417909006 531788525 /nfs/dbraw/zinc/78/85/25/531788525.db2.gz JGBWWLUXWAXCJR-OAHLLOKOSA-N 1 0 397.317 1.822 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417903829 531789563 /nfs/dbraw/zinc/78/95/63/531789563.db2.gz ZIRYSWGHEHFMFC-OAHLLOKOSA-N 1 0 383.334 1.975 20 0 GDADRO 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20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624388361 531840903 /nfs/dbraw/zinc/84/09/03/531840903.db2.gz VOWUNIMNGJLWDG-UHFFFAOYSA-N 1 0 377.304 1.685 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000298002126 531842188 /nfs/dbraw/zinc/84/21/88/531842188.db2.gz YVGOOKZUBJPOFW-UHFFFAOYSA-N 1 0 399.333 1.689 20 0 GDADRO C[C@H]1CC[C@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C[NH2+]1 ZINC000624405033 531842394 /nfs/dbraw/zinc/84/23/94/531842394.db2.gz ANSYKSMHZKQFDI-QWRGUYRKSA-N 1 0 376.320 1.934 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)C1 ZINC000283239100 531842462 /nfs/dbraw/zinc/84/24/62/531842462.db2.gz PXZXTPUDCHXAPX-CYBMUJFWSA-N 1 0 390.527 1.061 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000624403529 531842791 /nfs/dbraw/zinc/84/27/91/531842791.db2.gz MNMVEUICDSGWSN-UHFFFAOYSA-N 1 0 393.303 1.634 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000418802776 531842962 /nfs/dbraw/zinc/84/29/62/531842962.db2.gz DNZWQDVZHBFJAJ-AVNXNWIJSA-N 1 0 398.276 1.756 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(Cc3cn(-c4cccc(Cl)c4Cl)nn3)CCN2C1=O ZINC000563433646 531843340 /nfs/dbraw/zinc/84/33/40/531843340.db2.gz WKCJIFRTHODFDQ-AAEUAGOBSA-N 1 0 381.267 1.318 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671158349 531846084 /nfs/dbraw/zinc/84/60/84/531846084.db2.gz BHKBPKWNSVIZGY-GFCCVEGCSA-N 1 0 386.315 1.727 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000418821433 531846845 /nfs/dbraw/zinc/84/68/45/531846845.db2.gz GMIRUUAQTLLDOV-JTEKXYAQSA-N 1 0 380.286 1.807 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418825307 531847393 /nfs/dbraw/zinc/84/73/93/531847393.db2.gz JQVPMDNSUIMGEO-RAIGVLPGSA-N 1 0 398.276 1.771 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000298082063 531847883 /nfs/dbraw/zinc/84/78/83/531847883.db2.gz KYKXBBHQGUHUBK-GJZGRUSLSA-N 1 0 390.937 1.570 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418824952 531848096 /nfs/dbraw/zinc/84/80/96/531848096.db2.gz DTWNGOFTPOMCCR-SOUVJXGZSA-N 1 0 380.286 1.761 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000563842786 531865832 /nfs/dbraw/zinc/86/58/32/531865832.db2.gz QGTNLECARNXHQN-GFCCVEGCSA-N 1 0 387.322 1.593 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)Sc1ccc(Br)cc1 ZINC000418935558 531865936 /nfs/dbraw/zinc/86/59/36/531865936.db2.gz LFFMGFIWOIWGPN-PWSUYJOCSA-N 1 0 386.315 1.606 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000642981605 531866392 /nfs/dbraw/zinc/86/63/92/531866392.db2.gz AOLVAWCZPMICIG-CYBMUJFWSA-N 1 0 380.286 1.592 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000418932349 531866562 /nfs/dbraw/zinc/86/65/62/531866562.db2.gz CQVZTMIECUGNTC-UHFFFAOYSA-N 1 0 398.301 1.402 20 0 GDADRO CS[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000270415147 531866693 /nfs/dbraw/zinc/86/66/93/531866693.db2.gz BVFCGDVWYUHLQF-UONOGXRCSA-N 1 0 392.493 1.729 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000595120825 531866966 /nfs/dbraw/zinc/86/69/66/531866966.db2.gz XQUMBOKWUYFBMI-UHFFFAOYSA-N 1 0 391.287 1.786 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000642991210 531867200 /nfs/dbraw/zinc/86/72/00/531867200.db2.gz YRCGCASLIKZHQA-UHFFFAOYSA-N 1 0 382.511 1.148 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)CCCO1 ZINC000418938539 531867454 /nfs/dbraw/zinc/86/74/54/531867454.db2.gz GOEIOHAINSABIJ-DZGCQCFKSA-N 1 0 396.285 1.129 20 0 GDADRO O=C(N[C@H]1CCc2cc(Br)ccc21)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418940408 531867868 /nfs/dbraw/zinc/86/78/68/531867868.db2.gz JCNPGUVBANXAKJ-ZFWWWQNUSA-N 1 0 380.286 1.811 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)NCc2nn(C)cc2Br)CC1 ZINC000454526036 531856797 /nfs/dbraw/zinc/85/67/97/531856797.db2.gz KVEBIOSENKSTSD-UHFFFAOYSA-N 1 0 388.310 1.483 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418866487 531857421 /nfs/dbraw/zinc/85/74/21/531857421.db2.gz NAESYHBAWVXLTQ-CYBMUJFWSA-N 1 0 387.311 1.804 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)s1 ZINC000563673363 531860412 /nfs/dbraw/zinc/86/04/12/531860412.db2.gz JZUCGKXKGXQHNA-WCQYABFASA-N 1 0 384.458 1.356 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418881166 531860489 /nfs/dbraw/zinc/86/04/89/531860489.db2.gz GVNIRDIIGRSHFC-NWDGAFQWSA-N 1 0 388.237 1.237 20 0 GDADRO O=C(N[C@H]1CSc2ccc(Br)cc21)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642700501 531861478 /nfs/dbraw/zinc/86/14/78/531861478.db2.gz QQVQDOPBTFEXNO-YPMHNXCESA-N 1 0 398.326 1.970 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2cc(Br)ccc2F)CC[C@H]1[NH3+] ZINC000418922516 531863465 /nfs/dbraw/zinc/86/34/65/531863465.db2.gz KYONVTWXSNJTMO-QMTHXVAHSA-N 1 0 386.265 1.443 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCCc2cc(Br)ccc2F)CC[NH2+]1 ZINC000418917689 531863781 /nfs/dbraw/zinc/86/37/81/531863781.db2.gz BMAIYQFONYFBMM-UHFFFAOYSA-N 1 0 386.265 1.457 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)C[C@H]1C[NH3+] ZINC000418929599 531864471 /nfs/dbraw/zinc/86/44/71/531864471.db2.gz FQQJLGRUULTTDQ-CMPLNLGQSA-N 1 0 386.265 1.648 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418927910 531865368 /nfs/dbraw/zinc/86/53/68/531865368.db2.gz XTTVTUGNETUWGY-HZMBPMFUSA-N 1 0 386.265 1.361 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2cccnc2OCC(F)F)CCOCC1 ZINC000624979441 531871423 /nfs/dbraw/zinc/87/14/23/531871423.db2.gz STZLNWVDQFRVDF-UHFFFAOYSA-N 1 0 379.429 1.115 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000564958349 531871844 /nfs/dbraw/zinc/87/18/44/531871844.db2.gz KSCURXNAGUNFSQ-LLVKDONJSA-N 1 0 381.274 1.793 20 0 GDADRO CS(=O)(=O)CCCN1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000367886357 531872071 /nfs/dbraw/zinc/87/20/71/531872071.db2.gz PEGJZZOAYQFAPG-MRXNPFEDSA-N 1 0 386.539 1.278 20 0 GDADRO COC(=O)[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1Br ZINC000595256344 531872524 /nfs/dbraw/zinc/87/25/24/531872524.db2.gz NLMXUMWJHBEWFE-HZMBPMFUSA-N 1 0 387.299 1.875 20 0 GDADRO O=S(=O)(CCc1c(F)cccc1F)NCCCC[N@H+]1CCC[C@H]1CO ZINC000624999604 531872755 /nfs/dbraw/zinc/87/27/55/531872755.db2.gz SIHCATGNDQWNSM-AWEZNQCLSA-N 1 0 376.469 1.664 20 0 GDADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000564970884 531872827 /nfs/dbraw/zinc/87/28/27/531872827.db2.gz VLGRINHXFXNYMA-GHMZBOCLSA-N 1 0 376.862 1.253 20 0 GDADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])c1 ZINC000564970336 531873005 /nfs/dbraw/zinc/87/30/05/531873005.db2.gz VWTKSUYUNJSREZ-NWDGAFQWSA-N 1 0 382.404 1.841 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)CC[C@@H]1[NH3+] ZINC000418975681 531873467 /nfs/dbraw/zinc/87/34/67/531873467.db2.gz REUFVSFHHKEOJP-ONGXEEELSA-N 1 0 394.273 1.137 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418962574 531873719 /nfs/dbraw/zinc/87/37/19/531873719.db2.gz DGAPKDGFFFJVEL-UHFFFAOYSA-N 1 0 382.262 1.010 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CC(F)(F)C1 ZINC000644056041 531877357 /nfs/dbraw/zinc/87/73/57/531877357.db2.gz SMSBDUHSONGVOA-UHFFFAOYSA-N 1 0 375.441 1.316 20 0 GDADRO Cc1cc(C)c(Br)c(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000566067596 531878083 /nfs/dbraw/zinc/87/80/83/531878083.db2.gz PKIGVUVQINTPFU-ZDUSSCGKSA-N 1 0 382.302 1.993 20 0 GDADRO Cn1nccc1-c1ccccc1C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000644885508 531878832 /nfs/dbraw/zinc/87/88/32/531878832.db2.gz QLJFUJIETUHKHW-UHFFFAOYSA-N 1 0 380.539 1.555 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1Br ZINC000419004555 531878850 /nfs/dbraw/zinc/87/88/50/531878850.db2.gz FMHXPWLERFXXPV-CMPLNLGQSA-N 1 0 384.274 1.503 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)[C@H]1C[NH3+] ZINC000419002929 531878857 /nfs/dbraw/zinc/87/88/57/531878857.db2.gz ZSTPPQBOJHNRDF-DOMZBBRYSA-N 1 0 382.302 1.694 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000419002519 531879063 /nfs/dbraw/zinc/87/90/63/531879063.db2.gz BRNGMPARYZQNEO-COPLHBTASA-N 1 0 398.301 1.749 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1Br ZINC000419006705 531879259 /nfs/dbraw/zinc/87/92/59/531879259.db2.gz IDTXWMJNVYMDBR-CMPLNLGQSA-N 1 0 384.274 1.585 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000566105194 531880074 /nfs/dbraw/zinc/88/00/74/531880074.db2.gz DIBJVYIFOHRJFR-UHFFFAOYSA-N 1 0 392.518 1.393 20 0 GDADRO C[C@H](OC[C@@H](O)C[NH2+]C[C@H]1CS(=O)(=O)CCO1)c1ccc(Cl)cc1 ZINC000566111657 531880138 /nfs/dbraw/zinc/88/01/38/531880138.db2.gz KQYXZMDUOXEOCQ-RCBQFDQVSA-N 1 0 377.890 1.182 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000566248671 531881890 /nfs/dbraw/zinc/88/18/90/531881890.db2.gz HMOPJSMXVZIDSV-NSHDSACASA-N 1 0 392.308 1.625 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cnc(OC)c(Cl)c2)CC1 ZINC000645749198 531882849 /nfs/dbraw/zinc/88/28/49/531882849.db2.gz GVGQAMYWGVKZIY-UHFFFAOYSA-N 1 0 390.937 1.438 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419033430 531884312 /nfs/dbraw/zinc/88/43/12/531884312.db2.gz CDHIWMKMFBQRRK-MFKMUULPSA-N 1 0 382.258 1.209 20 0 GDADRO CC1(C)OCC(CO)([NH2+]CCC(=O)Nc2cccc(Br)c2)CO1 ZINC000298470586 531891869 /nfs/dbraw/zinc/89/18/69/531891869.db2.gz IRGSUGGENMRGFO-UHFFFAOYSA-N 1 0 387.274 1.881 20 0 GDADRO CC[C@H]1CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[C@H]1[NH3+] ZINC000647004695 531892370 /nfs/dbraw/zinc/89/23/70/531892370.db2.gz ONVBPUITTNZIRC-IINYFYTJSA-N 1 0 394.269 1.631 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419051681 531892767 /nfs/dbraw/zinc/89/27/67/531892767.db2.gz GJCWFQJOGDDVSZ-AEGPPILISA-N 1 0 394.313 1.849 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419051674 531892840 /nfs/dbraw/zinc/89/28/40/531892840.db2.gz GIAMEHVGHJMXCI-OCCSQVGLSA-N 1 0 382.302 1.707 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000419088810 531899642 /nfs/dbraw/zinc/89/96/42/531899642.db2.gz BYQLIRHELSPFCZ-IINYFYTJSA-N 1 0 386.279 1.673 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000647270732 531894371 /nfs/dbraw/zinc/89/43/71/531894371.db2.gz JNDWQTQKFZTCHZ-AWEZNQCLSA-N 1 0 391.896 1.628 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000567386575 531894517 /nfs/dbraw/zinc/89/45/17/531894517.db2.gz UWRQVICDWQDSCW-LBPRGKRZSA-N 1 0 387.311 1.708 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)c1sc2c(c1I)CNC2 ZINC000595948920 531894683 /nfs/dbraw/zinc/89/46/83/531894683.db2.gz CPYIUKUKBCIOGA-UHFFFAOYSA-N 1 0 389.262 1.605 20 0 GDADRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000298507030 531895094 /nfs/dbraw/zinc/89/50/94/531895094.db2.gz KLQHFSCXGRDSLG-VXGBXAGGSA-N 1 0 385.511 1.072 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419057100 531895162 /nfs/dbraw/zinc/89/51/62/531895162.db2.gz SZGBWRYDEQKTSO-XGNXJENSSA-N 1 0 382.302 1.882 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419060600 531896386 /nfs/dbraw/zinc/89/63/86/531896386.db2.gz ZJNQSTJNBOPSJX-MBNYWOFBSA-N 1 0 382.302 1.753 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000419080692 531897919 /nfs/dbraw/zinc/89/79/19/531897919.db2.gz PZPRSOWSXVCOPG-AWEZNQCLSA-N 1 0 380.286 1.547 20 0 GDADRO C[NH2+]CCNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC000647743696 531898291 /nfs/dbraw/zinc/89/82/91/531898291.db2.gz XTGHRUQWTYQLQU-UHFFFAOYSA-N 1 0 389.315 1.871 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000567607847 531899226 /nfs/dbraw/zinc/89/92/26/531899226.db2.gz GTKOBOVFJMGIPC-LLVKDONJSA-N 1 0 376.240 1.671 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419036754 531885663 /nfs/dbraw/zinc/88/56/63/531885663.db2.gz GZRFJMVKQNLDQY-SMDDNHRTSA-N 1 0 396.285 1.505 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000419041214 531886936 /nfs/dbraw/zinc/88/69/36/531886936.db2.gz NJRPNMYSQXSBLA-OLZOCXBDSA-N 1 0 382.258 1.242 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000283707748 531887192 /nfs/dbraw/zinc/88/71/92/531887192.db2.gz DKSPMNUOYJCBGE-UHFFFAOYSA-N 1 0 398.301 1.292 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419040051 531887415 /nfs/dbraw/zinc/88/74/15/531887415.db2.gz LOGNWJDUSDNODU-GUYCJALGSA-N 1 0 396.285 1.586 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419041988 531887579 /nfs/dbraw/zinc/88/75/79/531887579.db2.gz OMXQTPZYRLCGSM-CYBMUJFWSA-N 1 0 398.301 1.832 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1ccc(Br)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000419042474 531888125 /nfs/dbraw/zinc/88/81/25/531888125.db2.gz PLILHVIVSSKPGW-CMPLNLGQSA-N 1 0 386.265 1.709 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000419043549 531888440 /nfs/dbraw/zinc/88/84/40/531888440.db2.gz ROBDJLDQHGBMQK-ZDUSSCGKSA-N 1 0 382.258 1.339 20 0 GDADRO COc1ccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(Br)c1 ZINC000566505150 531888629 /nfs/dbraw/zinc/88/86/29/531888629.db2.gz SLTXUYDRTNOTFW-CABZTGNLSA-N 1 0 383.246 1.233 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419043544 531888797 /nfs/dbraw/zinc/88/87/97/531888797.db2.gz RNWWAZIQJDOTEY-AWEZNQCLSA-N 1 0 396.285 1.647 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000419042556 531888939 /nfs/dbraw/zinc/88/89/39/531888939.db2.gz LVBIVNLJXAFTFN-UWVGGRQHSA-N 1 0 378.420 1.940 20 0 GDADRO COc1ccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(Br)c1 ZINC000566505153 531889441 /nfs/dbraw/zinc/88/94/41/531889441.db2.gz SLTXUYDRTNOTFW-SKDRFNHKSA-N 1 0 383.246 1.233 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CCCO1 ZINC000419046363 531889468 /nfs/dbraw/zinc/88/94/68/531889468.db2.gz XXKONOMCMMTQCY-CQSZACIVSA-N 1 0 388.295 1.618 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(I)cn1 ZINC000455980733 531889730 /nfs/dbraw/zinc/88/97/30/531889730.db2.gz CNRXAEBWQKVURF-LBPRGKRZSA-N 1 0 389.237 1.263 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)s2)CC1 ZINC000368369878 531906452 /nfs/dbraw/zinc/90/64/52/531906452.db2.gz MAVTYHMFYKCIBQ-STQMWFEESA-N 1 0 389.518 1.599 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000647958595 531906807 /nfs/dbraw/zinc/90/68/07/531906807.db2.gz MUDCZBUZTOBACA-STQMWFEESA-N 1 0 379.295 1.855 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1Br ZINC000647983609 531907009 /nfs/dbraw/zinc/90/70/09/531907009.db2.gz FNLHNOMFPSXXRV-SNVBAGLBSA-N 1 0 388.310 1.800 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C)c2Br)C1 ZINC000419162143 531907026 /nfs/dbraw/zinc/90/70/26/531907026.db2.gz GDJBXNZDDFUXLO-CYBMUJFWSA-N 1 0 382.302 1.832 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Br ZINC000419164362 531907342 /nfs/dbraw/zinc/90/73/42/531907342.db2.gz LSYAZEAVGVDYMZ-PBWFPOADSA-N 1 0 380.286 1.773 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CC23CC[NH2+]CC3)s1 ZINC000368382584 531907480 /nfs/dbraw/zinc/90/74/80/531907480.db2.gz ZPAVBWMQOJTOKV-KBPBESRZSA-N 1 0 383.539 1.468 20 0 GDADRO O=C(NCc1cc(F)ccc1Br)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419163302 531907394 /nfs/dbraw/zinc/90/73/94/531907394.db2.gz WDVWNTYCFOTABY-UHFFFAOYSA-N 1 0 398.276 1.807 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000568491129 531907891 /nfs/dbraw/zinc/90/78/91/531907891.db2.gz GPDGOYLHYKYKNC-IUODEOHRSA-N 1 0 395.301 1.631 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)nc1)c1ccsc1 ZINC000270677914 531908665 /nfs/dbraw/zinc/90/86/65/531908665.db2.gz UDENUHOXOTUBRE-AWEZNQCLSA-N 1 0 382.511 1.603 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000648143601 531908927 /nfs/dbraw/zinc/90/89/27/531908927.db2.gz WHISGHIQHPMORT-CABCVRRESA-N 1 0 385.555 1.655 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000648143618 531909414 /nfs/dbraw/zinc/90/94/14/531909414.db2.gz WHISGHIQHPMORT-HUUCEWRRSA-N 1 0 385.555 1.655 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000648141285 531909556 /nfs/dbraw/zinc/90/95/56/531909556.db2.gz ZHPMDXBWCUEKBA-IUCAKERBSA-N 1 0 384.260 1.088 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000419190053 531909903 /nfs/dbraw/zinc/90/99/03/531909903.db2.gz MJKFLJYMRHMICM-HNNXBMFYSA-N 1 0 384.318 1.940 20 0 GDADRO CS(=O)(=O)CCOCC[NH2+]Cc1cccc(I)c1 ZINC000283933575 531909981 /nfs/dbraw/zinc/90/99/81/531909981.db2.gz LSVJWPWINHKLEM-UHFFFAOYSA-N 1 0 383.251 1.442 20 0 GDADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419187448 531910372 /nfs/dbraw/zinc/91/03/72/531910372.db2.gz NKWIQIRLATYFAY-KBPBESRZSA-N 1 0 395.301 1.012 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cc(Br)cs1 ZINC000283933079 531910404 /nfs/dbraw/zinc/91/04/04/531910404.db2.gz NHQBBGHYERGBCQ-TVQRCGJNSA-N 1 0 386.315 1.726 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419195946 531911620 /nfs/dbraw/zinc/91/16/20/531911620.db2.gz YYVRWQRWMIMRSX-UHFFFAOYSA-N 1 0 384.318 1.959 20 0 GDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccccc1Br ZINC000675816740 531911697 /nfs/dbraw/zinc/91/16/97/531911697.db2.gz GLRQUOCDWXNEIT-ZDUSSCGKSA-N 1 0 390.347 1.677 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419204892 531913261 /nfs/dbraw/zinc/91/32/61/531913261.db2.gz JUHIRDCTFMZLQR-CYBMUJFWSA-N 1 0 384.274 1.332 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cc(Br)ccc1OC ZINC000419201051 531913497 /nfs/dbraw/zinc/91/34/97/531913497.db2.gz FJRJKWZBJOOOAB-ZDUSSCGKSA-N 1 0 384.274 1.284 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000419084479 531899792 /nfs/dbraw/zinc/89/97/92/531899792.db2.gz YQSFNQZYTVFLDM-WFASDCNBSA-N 1 0 394.313 1.841 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CCO1 ZINC000647861680 531899908 /nfs/dbraw/zinc/89/99/08/531899908.db2.gz FAPQZLFDMCCJNB-QPUJVOFHSA-N 1 0 378.217 1.714 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC(n2cc(Br)cn2)CC1 ZINC000567597087 531899941 /nfs/dbraw/zinc/89/99/41/531899941.db2.gz JQLDQARHQNCSOH-CQSZACIVSA-N 1 0 386.294 1.371 20 0 GDADRO O=C(Nc1ccc(I)cc1F)[C@]12C[NH2+]C[C@H]1COC2 ZINC000595970811 531901357 /nfs/dbraw/zinc/90/13/57/531901357.db2.gz ZUJMEKYDVSHWPU-SDBXPKJASA-N 1 0 376.169 1.605 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000647906068 531902619 /nfs/dbraw/zinc/90/26/19/531902619.db2.gz JZZHUXLUCQFDBD-UHFFFAOYSA-N 1 0 378.416 1.531 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000567822974 531902630 /nfs/dbraw/zinc/90/26/30/531902630.db2.gz CHEXGGBSWJKCTB-NWDGAFQWSA-N 1 0 386.221 1.006 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419134270 531903254 /nfs/dbraw/zinc/90/32/54/531903254.db2.gz JPJRVTVHHMLPEZ-GFCCVEGCSA-N 1 0 388.295 1.946 20 0 GDADRO [NH3+]CCN(CCO)C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000419150765 531904063 /nfs/dbraw/zinc/90/40/63/531904063.db2.gz LNSKVJBAZMTNGJ-UHFFFAOYSA-N 1 0 388.295 1.311 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000283875145 531904714 /nfs/dbraw/zinc/90/47/14/531904714.db2.gz AKASTCGJZKEYEO-HUUCEWRRSA-N 1 0 386.539 1.702 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCc2nc(C(F)(F)F)cs2)CCSC1 ZINC000283979816 531917250 /nfs/dbraw/zinc/91/72/50/531917250.db2.gz HKCJWVYVPDMYLR-CYBMUJFWSA-N 1 0 396.460 1.332 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000568749739 531917453 /nfs/dbraw/zinc/91/74/53/531917453.db2.gz MDMNWWGYBKQACA-MNOVXSKESA-N 1 0 386.290 1.658 20 0 GDADRO CN(C)c1cc[nH+]cc1C(=O)NCc1nn(C)cc1I ZINC000456504908 531917818 /nfs/dbraw/zinc/91/78/18/531917818.db2.gz KVGSYWGXQRDYMC-UHFFFAOYSA-N 1 0 385.209 1.416 20 0 GDADRO CN(CCOCC[NH3+])C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000625877274 531917827 /nfs/dbraw/zinc/91/78/27/531917827.db2.gz AKOZUHHJWGKUHG-UHFFFAOYSA-N 1 0 383.250 1.469 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419262621 531919849 /nfs/dbraw/zinc/91/98/49/531919849.db2.gz TUFLFOOTKIJJSS-CYBMUJFWSA-N 1 0 384.274 1.202 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000419295715 531921232 /nfs/dbraw/zinc/92/12/32/531921232.db2.gz DCBRVXQJNSZCJV-CQSZACIVSA-N 1 0 382.302 1.893 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419304131 531922846 /nfs/dbraw/zinc/92/28/46/531922846.db2.gz UHBOQUATYNXSFF-ZUZCIYMTSA-N 1 0 382.302 1.796 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000626165765 531924248 /nfs/dbraw/zinc/92/42/48/531924248.db2.gz FNHFGPIDWXZSML-CZUORRHYSA-N 1 0 383.539 1.751 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419340826 531926166 /nfs/dbraw/zinc/92/61/66/531926166.db2.gz XLFQWGKPGLYKMN-ZYHUDNBSSA-N 1 0 380.901 1.723 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419349318 531926683 /nfs/dbraw/zinc/92/66/83/531926683.db2.gz DBFZBFCEZBTWAN-RISCZKNCSA-N 1 0 398.301 1.802 20 0 GDADRO CN(C(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000419248083 531915740 /nfs/dbraw/zinc/91/57/40/531915740.db2.gz NXXGSXHCGQTLTD-ZDUSSCGKSA-N 1 0 398.326 1.923 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000568749741 531916769 /nfs/dbraw/zinc/91/67/69/531916769.db2.gz MDMNWWGYBKQACA-WDEREUQCSA-N 1 0 386.290 1.658 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419364496 531929237 /nfs/dbraw/zinc/92/92/37/531929237.db2.gz WTYDYFCDNZZZBX-DGCLKSJQSA-N 1 0 398.301 1.660 20 0 GDADRO CC[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)Cc1cccc(Br)c1 ZINC000419358110 531929829 /nfs/dbraw/zinc/92/98/29/531929829.db2.gz IOBIEDMSUOEFNL-DZGCQCFKSA-N 1 0 396.329 1.941 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419362627 531929916 /nfs/dbraw/zinc/92/99/16/531929916.db2.gz UVVHQFLNKDPZDT-NSHDSACASA-N 1 0 384.274 1.190 20 0 GDADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000569821579 531930051 /nfs/dbraw/zinc/93/00/51/531930051.db2.gz CTAYUVOQLNMTNF-NSHDSACASA-N 1 0 386.265 1.903 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(O)c(Br)c2)C[C@@H]1C[NH3+] ZINC000419412832 531930651 /nfs/dbraw/zinc/93/06/51/531930651.db2.gz RNJNUDAKDLHIGN-PWSUYJOCSA-N 1 0 384.274 1.214 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(O)c(Br)c3)C[C@@H]21 ZINC000419415500 531931909 /nfs/dbraw/zinc/93/19/09/531931909.db2.gz VGLBOLDLVCAXMP-MBNYWOFBSA-N 1 0 396.285 1.357 20 0 GDADRO COc1ccc(CNC(=O)C(=O)NCCC[NH2+]C2CC2)cc1Br ZINC000419449449 531933340 /nfs/dbraw/zinc/93/33/40/531933340.db2.gz XVFLQLGLMUSVLC-UHFFFAOYSA-N 1 0 384.274 1.332 20 0 GDADRO COC1CC[NH+](C2(CNS(=O)(=O)c3c(Cl)cnn3C)CCCC2)CC1 ZINC000570113976 531934812 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531950293 /nfs/dbraw/zinc/95/02/93/531950293.db2.gz QYVSOXYUYYNCAU-LLVKDONJSA-N 1 0 388.331 1.975 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419670012 531950860 /nfs/dbraw/zinc/95/08/60/531950860.db2.gz CGPISAHXHIWZPT-ZDUSSCGKSA-N 1 0 384.274 1.100 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627393763 531950965 /nfs/dbraw/zinc/95/09/65/531950965.db2.gz JTZHPVFHEQVHQC-GMXVVIOVSA-N 1 0 398.301 1.892 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419670392 531951199 /nfs/dbraw/zinc/95/11/99/531951199.db2.gz CWWUUDFROPXGKN-IINYFYTJSA-N 1 0 396.285 1.114 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000419604467 531940114 /nfs/dbraw/zinc/94/01/14/531940114.db2.gz CFTDTJLDCCZEBZ-DGCLKSJQSA-N 1 0 384.274 1.201 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1cc(Cl)cc(C)c1Br ZINC000626867133 531940185 /nfs/dbraw/zinc/94/01/85/531940185.db2.gz OJJSZDDHOYUVGC-UHFFFAOYSA-N 1 0 392.681 1.702 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000651630893 531940389 /nfs/dbraw/zinc/94/03/89/531940389.db2.gz UBMJIXFSXAYGHA-ZDUSSCGKSA-N 1 0 386.539 1.466 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000627572156 531957558 /nfs/dbraw/zinc/95/75/58/531957558.db2.gz UVJBDRQZKYSXLG-NSHDSACASA-N 1 0 380.286 1.894 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cc(Br)co1)[C@@H]1CCS(=O)(=O)C1 ZINC000457640270 531958235 /nfs/dbraw/zinc/95/82/35/531958235.db2.gz XWZFRZZCSVQBDJ-GFCCVEGCSA-N 1 0 393.303 1.623 20 0 GDADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1(C)C ZINC000419701202 531959044 /nfs/dbraw/zinc/95/90/44/531959044.db2.gz YSFWTZDYXBHLKQ-HOCLYGCPSA-N 1 0 376.906 1.643 20 0 GDADRO CCN(C(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000627621301 531960263 /nfs/dbraw/zinc/96/02/63/531960263.db2.gz NAGKYVNTOJUJQF-UHFFFAOYSA-N 1 0 387.933 1.951 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419719509 531960336 /nfs/dbraw/zinc/96/03/36/531960336.db2.gz GMBAEMKJZYXUFE-JFGNBEQYSA-N 1 0 386.315 1.631 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1csc(I)c1 ZINC000597989911 531963223 /nfs/dbraw/zinc/96/32/23/531963223.db2.gz NBRYKMQPTHLZIB-UHFFFAOYSA-N 1 0 395.310 1.966 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627442369 531952379 /nfs/dbraw/zinc/95/23/79/531952379.db2.gz HXULORSLUNDYEZ-LLVKDONJSA-N 1 0 386.315 1.870 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419674887 531952403 /nfs/dbraw/zinc/95/24/03/531952403.db2.gz KJPFWDFRUXDYFQ-SMDDNHRTSA-N 1 0 396.285 1.244 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419674764 531952573 /nfs/dbraw/zinc/95/25/73/531952573.db2.gz KERUWUTUZUGFDC-IINYFYTJSA-N 1 0 396.285 1.257 20 0 GDADRO CSC1(CNC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)CC[NH+](C)CC1 ZINC000597669320 531952963 /nfs/dbraw/zinc/95/29/63/531952963.db2.gz SKCUVLNMQGGSNP-CHWSQXEVSA-N 1 0 384.464 1.914 20 0 GDADRO O=C(NCc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284366807 531953040 /nfs/dbraw/zinc/95/30/40/531953040.db2.gz RALUDQYUQUNOQR-GJZGRUSLSA-N 1 0 380.286 1.808 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C[NH2+]1 ZINC000627477436 531954450 /nfs/dbraw/zinc/95/44/50/531954450.db2.gz VYIMASOQYZXKJN-GWCFXTLKSA-N 1 0 398.276 1.730 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000627474194 531954462 /nfs/dbraw/zinc/95/44/62/531954462.db2.gz HYPRWVRSTZKLCS-ZDUSSCGKSA-N 1 0 379.507 1.443 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)C[C@@H](C)[NH2+]1 ZINC000419685262 531954730 /nfs/dbraw/zinc/95/47/30/531954730.db2.gz ZNLJPKANWSZHSX-GHMZBOCLSA-N 1 0 393.285 1.755 20 0 GDADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419683581 531954839 /nfs/dbraw/zinc/95/48/39/531954839.db2.gz XEHAIQRBBBXKMH-ZDUSSCGKSA-N 1 0 393.285 1.805 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)CC[NH2+]1 ZINC000419681370 531955216 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389.905 1.074 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccnc2)c1 ZINC000424210526 532085389 /nfs/dbraw/zinc/08/53/89/532085389.db2.gz FHZSQGWCYQXWPR-UHFFFAOYSA-N 1 0 382.873 1.827 20 0 GDADRO Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3Cl)C[C@H]2[NH3+])cn1 ZINC000424392043 532090652 /nfs/dbraw/zinc/09/06/52/532090652.db2.gz OLYRMDHQXGDJLD-CMPLNLGQSA-N 1 0 375.281 1.842 20 0 GDADRO CSc1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1Cl ZINC000424394941 532090701 /nfs/dbraw/zinc/09/07/01/532090701.db2.gz USRHOKSUKCBYPC-GXTWGEPZSA-N 1 0 386.930 1.911 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1)S(C)(=O)=O ZINC000285565418 532094611 /nfs/dbraw/zinc/09/46/11/532094611.db2.gz JVPGVJULIXSPPK-ZBFHGGJFSA-N 1 0 390.933 1.683 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000285591375 532096857 /nfs/dbraw/zinc/09/68/57/532096857.db2.gz HVPGJTQCQSQHHC-ZFWWWQNUSA-N 1 0 380.432 1.702 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)Cc2noc3ccc(Br)cc23)n1 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386.290 1.661 20 0 GDADRO NS(=O)(=O)c1ccc(CC[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000272808703 532115214 /nfs/dbraw/zinc/11/52/14/532115214.db2.gz FCTTVLJEPRYWCN-UHFFFAOYSA-N 1 0 379.448 1.883 20 0 GDADRO C[C@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)s2)CC[N@@H+]1CC(C)(C)O ZINC000425453197 532139764 /nfs/dbraw/zinc/13/97/64/532139764.db2.gz YSGXKKOEYRWFSF-ZDUSSCGKSA-N 1 0 375.560 1.275 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)ccc1Cl ZINC000286003781 532125422 /nfs/dbraw/zinc/12/54/22/532125422.db2.gz IWJMQHMYSKOEST-ZIBATOQPSA-N 1 0 389.905 1.638 20 0 GDADRO Cc1nc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)sc1S(N)(=O)=O ZINC000374518029 532125478 /nfs/dbraw/zinc/12/54/78/532125478.db2.gz GFMVUJHHAIYDMJ-LBPRGKRZSA-N 1 0 386.568 2.485 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)NC[C@H]1CSCCS1 ZINC000272964923 532126101 /nfs/dbraw/zinc/12/61/01/532126101.db2.gz IHKUCHVLEKMIBA-IRXDYDNUSA-N 1 0 381.567 1.901 20 0 GDADRO C[NH+]1CCC(CCNC(=O)C(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000286053620 532129315 /nfs/dbraw/zinc/12/93/15/532129315.db2.gz UIQWUWZMNOANCQ-UHFFFAOYSA-N 1 0 378.420 1.626 20 0 GDADRO COCCN1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C1 ZINC000273047141 532130450 /nfs/dbraw/zinc/13/04/50/532130450.db2.gz FUNQVZYODODPNY-INIZCTEOSA-N 1 0 384.318 1.879 20 0 GDADRO COCCN1CC[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C1 ZINC000273047144 532130709 /nfs/dbraw/zinc/13/07/09/532130709.db2.gz FUNQVZYODODPNY-MRXNPFEDSA-N 1 0 384.318 1.879 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000286074060 532131236 /nfs/dbraw/zinc/13/12/36/532131236.db2.gz MMGYDTPSWKZGLQ-BRDIYROLSA-N 1 0 396.332 1.274 20 0 GDADRO Cc1cn2c(n1)CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)CC2 ZINC000374682325 532132831 /nfs/dbraw/zinc/13/28/31/532132831.db2.gz YFVCNJIIXDNZAR-UHFFFAOYSA-N 1 0 382.873 1.751 20 0 GDADRO O=C(NC[C@H]1CC[NH2+]C1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000273086891 532133031 /nfs/dbraw/zinc/13/30/31/532133031.db2.gz YXXRTCKTNLCMRB-ZDUSSCGKSA-N 1 0 385.917 1.854 20 0 GDADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCSC[C@H]3c3nccs3)[C@@H]2C1 ZINC000425394109 532137707 /nfs/dbraw/zinc/13/77/07/532137707.db2.gz FHGUEJPRYPRJTD-MJBXVCDLSA-N 1 0 380.539 1.312 20 0 GDADRO CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)C[C@H]1[NH+]1CCCC1 ZINC000273442253 532150029 /nfs/dbraw/zinc/15/00/29/532150029.db2.gz BEVICROIPGEBGO-OLZOCXBDSA-N 1 0 389.568 1.065 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cc(Br)cs3)C[C@H]21 ZINC000331561137 532150635 /nfs/dbraw/zinc/15/06/35/532150635.db2.gz JLJJJOLFVUUREO-OASPWFOLSA-N 1 0 386.315 1.713 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)NCc2nn(C)cc2I)CC1 ZINC000331578031 532150710 /nfs/dbraw/zinc/15/07/10/532150710.db2.gz QWANBLQYUHGOOF-UHFFFAOYSA-N 1 0 391.257 1.262 20 0 GDADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000331283011 532142703 /nfs/dbraw/zinc/14/27/03/532142703.db2.gz JUNWNQOXFVOLFK-CQSZACIVSA-N 1 0 379.320 1.657 20 0 GDADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C(N)=O)C1)c1ccc(Cl)cc1Cl ZINC000286344520 532144366 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394.313 1.961 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1ccnn1C ZINC000375531691 532168374 /nfs/dbraw/zinc/16/83/74/532168374.db2.gz FYKKSXFCVHZVGC-IXPVHAAZSA-N 1 0 381.278 1.377 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425818564 532155807 /nfs/dbraw/zinc/15/58/07/532155807.db2.gz JDLGKWHJBJRIEX-SMDDNHRTSA-N 1 0 396.285 1.949 20 0 GDADRO CCc1ccc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1S(N)(=O)=O ZINC000273552588 532156664 /nfs/dbraw/zinc/15/66/64/532156664.db2.gz BBAMRVZRQXNLPC-KBPBESRZSA-N 1 0 386.543 1.406 20 0 GDADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286538755 532158595 /nfs/dbraw/zinc/15/85/95/532158595.db2.gz ODAYSTIMMMGKQP-ONGXEEELSA-N 1 0 379.404 1.668 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)NCCC[NH+](C)C)cc1Br ZINC000425960255 532158943 /nfs/dbraw/zinc/15/89/43/532158943.db2.gz WFUHSYFUZBJTDN-UHFFFAOYSA-N 1 0 388.262 1.473 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C(=O)[O-])cs1 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CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000287899122 532249337 /nfs/dbraw/zinc/24/93/37/532249337.db2.gz NXAPAMISPRGQDP-CQSZACIVSA-N 1 0 399.333 1.737 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000287921058 532250976 /nfs/dbraw/zinc/25/09/76/532250976.db2.gz OYCQFSKJCBJMCI-UONOGXRCSA-N 1 0 382.555 1.750 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000333851683 532252434 /nfs/dbraw/zinc/25/24/34/532252434.db2.gz QDRPERMRXPWCKP-UGFHNGPFSA-N 1 0 395.301 1.630 20 0 GDADRO CN(CC(=O)NCCc1cccc(Cl)c1Cl)CC(=O)N1CC[NH2+]CC1 ZINC000430612471 532253386 /nfs/dbraw/zinc/25/33/86/532253386.db2.gz ROAVPUKKJZIQOY-UHFFFAOYSA-N 1 0 387.311 1.016 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2N)C[C@@H]1[NH+]1CCCC1 ZINC000274848072 532237144 /nfs/dbraw/zinc/23/71/44/532237144.db2.gz TURSAEAGEWAOQM-RYUDHWBXSA-N 1 0 376.935 1.518 20 0 GDADRO COc1ccc(Br)c(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000429948220 532239811 /nfs/dbraw/zinc/23/98/11/532239811.db2.gz FFIMBUYJJCJBED-UHFFFAOYSA-N 1 0 394.273 1.904 20 0 GDADRO CNS(=O)(=O)c1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)nc1 ZINC000275034843 532255694 /nfs/dbraw/zinc/25/56/94/532255694.db2.gz RXAIZUZKPFWHQJ-GFCCVEGCSA-N 1 0 383.499 1.476 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430723210 532255794 /nfs/dbraw/zinc/25/57/94/532255794.db2.gz OKAYXNXPSFEVKC-MWLCHTKSSA-N 1 0 379.276 1.163 20 0 GDADRO C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430717813 532256159 /nfs/dbraw/zinc/25/61/59/532256159.db2.gz BHQRVLLPCPRANM-SNVBAGLBSA-N 1 0 387.303 1.723 20 0 GDADRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430734415 532256441 /nfs/dbraw/zinc/25/64/41/532256441.db2.gz VQNMUSUYQJGMJY-OTYXRUKQSA-N 1 0 377.304 1.908 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN(C)[C@H](C)C[NH3+] ZINC000430949231 532258682 /nfs/dbraw/zinc/25/86/82/532258682.db2.gz BSJGLLQKBNMHBX-GFCCVEGCSA-N 1 0 385.306 1.433 20 0 GDADRO C[C@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000430939714 532258910 /nfs/dbraw/zinc/25/89/10/532258910.db2.gz MCTNKGCRRVIGHF-WCQYABFASA-N 1 0 383.290 1.173 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000431018299 532259425 /nfs/dbraw/zinc/25/94/25/532259425.db2.gz GHUXODSZFHHCRG-UHFFFAOYSA-N 1 0 391.559 1.513 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000333952104 532259634 /nfs/dbraw/zinc/25/96/34/532259634.db2.gz ZQVXBWHKNGFQSA-ZDUSSCGKSA-N 1 0 396.289 1.578 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)cn1 ZINC000288071338 532261966 /nfs/dbraw/zinc/26/19/66/532261966.db2.gz CVUXKKIKTLWQJN-DGCLKSJQSA-N 1 0 383.290 1.574 20 0 GDADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cncc(Br)c1 ZINC000288077874 532261982 /nfs/dbraw/zinc/26/19/82/532261982.db2.gz GXSFASREWZMQAI-BXUZGUMPSA-N 1 0 381.274 1.868 20 0 GDADRO NC(=O)C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000377506654 532261985 /nfs/dbraw/zinc/26/19/85/532261985.db2.gz VLNQRRXKZYPQOY-JTQLQIEISA-N 1 0 387.221 1.427 20 0 GDADRO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000334116040 532263845 /nfs/dbraw/zinc/26/38/45/532263845.db2.gz HGWOZBBQXSZXDF-KGLIPLIRSA-N 1 0 386.543 1.295 20 0 GDADRO C[NH+](C)CCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CC1 ZINC000431396192 532265386 /nfs/dbraw/zinc/26/53/86/532265386.db2.gz KSMPOQUMSGKIQH-UHFFFAOYSA-N 1 0 393.285 1.712 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(C)ccc2S(N)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000275248319 532280512 /nfs/dbraw/zinc/28/05/12/532280512.db2.gz IDRMFWCIHIHWBG-LSDHHAIUSA-N 1 0 383.539 1.294 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000275169950 532272593 /nfs/dbraw/zinc/27/25/93/532272593.db2.gz SIWWAMVJZJEHAW-ONGXEEELSA-N 1 0 384.221 1.667 20 0 GDADRO CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H](C)Cc1ccsc1 ZINC000275180901 532273536 /nfs/dbraw/zinc/27/35/36/532273536.db2.gz WUGPMLKESSYZSJ-CQSZACIVSA-N 1 0 375.560 1.399 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(I)cc2)C1 ZINC000382534789 532294950 /nfs/dbraw/zinc/29/49/50/532294950.db2.gz WUZSDSORSMGCHZ-ONGXEEELSA-N 1 0 380.251 1.697 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275484020 532297432 /nfs/dbraw/zinc/29/74/32/532297432.db2.gz JOZBTPSRTUPKLN-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(I)cc1 ZINC000394793421 532301698 /nfs/dbraw/zinc/30/16/98/532301698.db2.gz KGFSTIJDXIGXLA-CQSZACIVSA-N 1 0 385.249 1.411 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)COc2ccc(F)cc2Br)CC1 ZINC000397519217 532302650 /nfs/dbraw/zinc/30/26/50/532302650.db2.gz DNNFARPQKMEEQL-UHFFFAOYSA-N 1 0 375.238 1.540 20 0 GDADRO Cc1nc(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)sc1S(N)(=O)=O ZINC000397870623 532303329 /nfs/dbraw/zinc/30/33/29/532303329.db2.gz HVTHKGZIBFQUAX-QGZVFWFLSA-N 1 0 380.539 2.566 20 0 GDADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000275638571 532303623 /nfs/dbraw/zinc/30/36/23/532303623.db2.gz RQCNZNTXZCHPIW-UHFFFAOYSA-N 1 0 389.905 1.309 20 0 GDADRO CC(C)CCCN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000275700384 532306330 /nfs/dbraw/zinc/30/63/30/532306330.db2.gz KJVOFJDNKLQPJV-UHFFFAOYSA-N 1 0 389.543 1.077 20 0 GDADRO COc1ccc(CCC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000289297897 532320975 /nfs/dbraw/zinc/32/09/75/532320975.db2.gz RTPMMLZZFFUPME-OAHLLOKOSA-N 1 0 396.329 1.896 20 0 GDADRO O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289328437 532321474 /nfs/dbraw/zinc/32/14/74/532321474.db2.gz VJJBVHWZRGMNCO-PBHICJAKSA-N 1 0 383.539 1.503 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)s1 ZINC000276426923 532329341 /nfs/dbraw/zinc/32/93/41/532329341.db2.gz CRBDTZPFXTWMCP-UHFFFAOYSA-N 1 0 389.543 1.799 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000289851702 532333102 /nfs/dbraw/zinc/33/31/02/532333102.db2.gz KTBBCHGXGVBQOP-GFCCVEGCSA-N 1 0 375.256 1.318 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cnn2cc(Br)cnc12 ZINC000289981298 532334910 /nfs/dbraw/zinc/33/49/10/532334910.db2.gz CULBSZCOBXKDLO-UHFFFAOYSA-N 1 0 397.321 1.447 20 0 GDADRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000290070467 532336271 /nfs/dbraw/zinc/33/62/71/532336271.db2.gz VIIORUQSYPLHBL-GJZGRUSLSA-N 1 0 382.302 1.929 20 0 GDADRO Cc1cc(OCC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1Cl ZINC000359942924 206271866 /nfs/dbraw/zinc/27/18/66/206271866.db2.gz WDRVKLKMJFQLFY-KRWDZBQOSA-N 1 0 379.888 1.968 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CCCOC(=O)NC(N)=O)C[C@H]21 ZINC000359997534 206276954 /nfs/dbraw/zinc/27/69/54/206276954.db2.gz UVFIWUDMSXOJIF-MGPQQGTHSA-N 1 0 384.477 1.807 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCC(=O)N3CCOCC3)C[C@@H]21 ZINC000359990629 206277346 /nfs/dbraw/zinc/27/73/46/206277346.db2.gz CBQQOVKEWUZLHQ-YESZJQIVSA-N 1 0 381.517 1.861 20 0 GDADRO CCC(CC)[C@H](CNC(=O)Cn1nnc2ccccc2c1=O)[NH+]1CCOCC1 ZINC000030942838 207377711 /nfs/dbraw/zinc/37/77/11/207377711.db2.gz XQTQHPSNSKJGGY-SFHVURJKSA-N 1 0 387.484 1.045 20 0 GDADRO CSc1nc2nc(C)c(CC(=O)NC[C@H](C)C[NH+]3CCCC3)c(C)n2n1 ZINC000047920152 207687632 /nfs/dbraw/zinc/68/76/32/207687632.db2.gz QRARJTKHOCJJLX-LBPRGKRZSA-N 1 0 376.530 1.854 20 0 GDADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CCN(S(=O)(=O)c4cnn(C)c4)CC3)C[C@H]2C1 ZINC000333602693 570814405 /nfs/dbraw/zinc/81/44/05/570814405.db2.gz QRSQQKBZCYFBOR-MDBPOYHNSA-N 1 0 382.530 1.366 20 0 GDADRO O=C1N[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000333648667 570822185 /nfs/dbraw/zinc/82/21/85/570822185.db2.gz JLWGLECYQNYTQP-HZPDHXFCSA-N 1 0 398.916 1.249 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736294998 598834594 /nfs/dbraw/zinc/83/45/94/598834594.db2.gz TYKADFOPWKFOER-YPMHNXCESA-N 1 0 375.864 1.627 20 0 GDADRO Fc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(Cl)c1 ZINC000737647557 598838067 /nfs/dbraw/zinc/83/80/67/598838067.db2.gz GNUPTYKQFHFJQK-SNVBAGLBSA-N 1 0 376.827 1.730 20 0 GDADRO COC(=O)C[C@H]1CCCC[N@@H+]1Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000736910151 598851181 /nfs/dbraw/zinc/85/11/81/598851181.db2.gz CPSKHEADXHCTKJ-MRXNPFEDSA-N 1 0 396.455 1.809 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CC[NH+](CC2CC2)CC1 ZINC000737523039 598851413 /nfs/dbraw/zinc/85/14/13/598851413.db2.gz GJMFZSGJUUHJKV-UHFFFAOYSA-N 1 0 379.472 1.419 20 0 GDADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000736901080 598862187 /nfs/dbraw/zinc/86/21/87/598862187.db2.gz IAUYEHLOFJPNAT-SFHVURJKSA-N 1 0 384.484 1.889 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000738331717 598877797 /nfs/dbraw/zinc/87/77/97/598877797.db2.gz VSKHAYHYVDCPRI-HNNXBMFYSA-N 1 0 376.486 1.114 20 0 GDADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392606 598888191 /nfs/dbraw/zinc/88/81/91/598888191.db2.gz FRWVXMDFCKZAHB-PMACEKPBSA-N 1 0 378.480 1.839 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000735549559 598899131 /nfs/dbraw/zinc/89/91/31/598899131.db2.gz AKFXAMBFRDPSCU-RYUDHWBXSA-N 1 0 377.880 1.731 20 0 GDADRO COc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000737162628 598908364 /nfs/dbraw/zinc/90/83/64/598908364.db2.gz BDVUPHSRVGFXGA-UHFFFAOYSA-N 1 0 394.439 1.013 20 0 GDADRO O=C(C[N@@H+](CCO)[C@H]1CCc2ccccc21)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737864591 598917846 /nfs/dbraw/zinc/91/78/46/598917846.db2.gz LFHOTPJQUDQYEC-IBGZPJMESA-N 1 0 392.463 1.465 20 0 GDADRO CC(C)n1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000735960326 598930458 /nfs/dbraw/zinc/93/04/58/598930458.db2.gz HCCYOKZUHZBBEO-UHFFFAOYSA-N 1 0 396.499 1.777 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000737297974 598950326 /nfs/dbraw/zinc/95/03/26/598950326.db2.gz HOVCAWDFBMDMRC-UHFFFAOYSA-N 1 0 385.453 1.081 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736852084 598974477 /nfs/dbraw/zinc/97/44/77/598974477.db2.gz NAMDPBSSSMJACW-QGZVFWFLSA-N 1 0 398.515 1.177 20 0 GDADRO CNC(=O)c1ccc(C[N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC000736877360 598980540 /nfs/dbraw/zinc/98/05/40/598980540.db2.gz JPQABFNSLKHBAP-UHFFFAOYSA-N 1 0 396.451 1.746 20 0 GDADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000737271673 598981541 /nfs/dbraw/zinc/98/15/41/598981541.db2.gz NFENPWVREJXHQV-UHFFFAOYSA-N 1 0 378.440 1.574 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000737033140 598983204 /nfs/dbraw/zinc/98/32/04/598983204.db2.gz RCNBBUPKFGPGCG-AWEZNQCLSA-N 1 0 385.428 1.825 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000737032778 598983689 /nfs/dbraw/zinc/98/36/89/598983689.db2.gz NLKQREIHIQCZEJ-UHFFFAOYSA-N 1 0 388.472 1.491 20 0 GDADRO CCCNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736479700 598983983 /nfs/dbraw/zinc/98/39/83/598983983.db2.gz FLDLHKKTRIFFSI-OAHLLOKOSA-N 1 0 388.472 1.492 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000736401384 599004656 /nfs/dbraw/zinc/00/46/56/599004656.db2.gz WHPBWQGYYRYGGB-OAHLLOKOSA-N 1 0 378.502 1.718 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736571427 599031034 /nfs/dbraw/zinc/03/10/34/599031034.db2.gz RFBXVBGURBSJKR-QGZVFWFLSA-N 1 0 392.467 1.783 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736571494 599044378 /nfs/dbraw/zinc/04/43/78/599044378.db2.gz RXBHRALXKMQLHN-LLVKDONJSA-N 1 0 384.410 1.718 20 0 GDADRO C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736145940 599047801 /nfs/dbraw/zinc/04/78/01/599047801.db2.gz DTMGAHSDFHKCRY-CRAIPNDOSA-N 1 0 383.452 1.489 20 0 GDADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000738041083 599053804 /nfs/dbraw/zinc/05/38/04/599053804.db2.gz WGNMJWCBMROQSD-HXUWFJFHSA-N 1 0 393.451 1.625 20 0 GDADRO C[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000736026600 599088557 /nfs/dbraw/zinc/08/85/57/599088557.db2.gz VBYJMRVVBAHKKD-LIRRHRJNSA-N 1 0 391.479 1.430 20 0 GDADRO NC(=O)[C@H]([NH2+]CCCCOCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731367 599096466 /nfs/dbraw/zinc/09/64/66/599096466.db2.gz RGRBBINRUYKMDO-GOSISDBHSA-N 1 0 380.452 1.980 20 0 GDADRO NC(=O)[C@@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730782 599100503 /nfs/dbraw/zinc/10/05/03/599100503.db2.gz LJGXHPDDHFYAQI-OALUTQOASA-N 1 0 391.479 1.647 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@H]1CCCN(c3ccccc3)C1)C2 ZINC000738434278 599103076 /nfs/dbraw/zinc/10/30/76/599103076.db2.gz BZKQOZYAXFIVRO-GJZGRUSLSA-N 1 0 379.472 1.364 20 0 GDADRO Cc1cncc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822399818 599135620 /nfs/dbraw/zinc/13/56/20/599135620.db2.gz NHHADMZJEFRFIW-UHFFFAOYSA-N 1 0 377.452 1.918 20 0 GDADRO Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000737244767 599204501 /nfs/dbraw/zinc/20/45/01/599204501.db2.gz LFKOCFSIVRMXOK-KRWDZBQOSA-N 1 0 379.468 1.734 20 0 GDADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736291127 599226093 /nfs/dbraw/zinc/22/60/93/599226093.db2.gz DBWDQNOGAMXAMJ-MNEFBYGVSA-N 1 0 395.511 1.921 20 0 GDADRO COC(=O)N1CC([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000821665014 607260510 /nfs/dbraw/zinc/26/05/10/607260510.db2.gz RZBCMNINSLWGBP-UHFFFAOYSA-N 1 0 394.435 1.986 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C1(c3ccc4c(c3)OCO4)CC1)C2 ZINC000823766556 607260869 /nfs/dbraw/zinc/26/08/69/607260869.db2.gz FFLPVEPCDXKJRE-LLVKDONJSA-N 1 0 380.412 1.113 20 0 GDADRO COCC[N@@H+]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@H]1C ZINC000737004894 599231646 /nfs/dbraw/zinc/23/16/46/599231646.db2.gz PQKRZWJNDRLJMQ-OAHLLOKOSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000736290809 599235202 /nfs/dbraw/zinc/23/52/02/599235202.db2.gz CBUYOUYNFLYJSV-STQMWFEESA-N 1 0 375.502 1.815 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822043433 607274294 /nfs/dbraw/zinc/27/42/94/607274294.db2.gz DRIMSWYBQBIDPI-STQMWFEESA-N 1 0 385.472 1.350 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cccc1-c1nn[nH]n1 ZINC000822052165 607274483 /nfs/dbraw/zinc/27/44/83/607274483.db2.gz ABYURFFUBZDNQT-CYBMUJFWSA-N 1 0 385.472 1.350 20 0 GDADRO CC(C)C[NH+]1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000820092149 607297939 /nfs/dbraw/zinc/29/79/39/607297939.db2.gz HUDDHUDDYQTHID-UHFFFAOYSA-N 1 0 399.499 1.776 20 0 GDADRO Cn1cc([C@@H]2CC[N@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)cn1 ZINC000737605305 599289437 /nfs/dbraw/zinc/28/94/37/599289437.db2.gz MDBAYAIFVRTYBD-CQSZACIVSA-N 1 0 377.412 1.640 20 0 GDADRO Cc1nc(CN(C)[C@@H]2CC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737472787 599289555 /nfs/dbraw/zinc/28/95/55/599289555.db2.gz ZPQLVLJQGOHCCQ-MRXNPFEDSA-N 1 0 398.471 1.533 20 0 GDADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000820528788 607324001 /nfs/dbraw/zinc/32/40/01/607324001.db2.gz OKSACXUECUOHLI-CZUORRHYSA-N 1 0 386.456 1.004 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H]1CCOC3(CCSCC3)C1)C2 ZINC000823820675 607335326 /nfs/dbraw/zinc/33/53/26/607335326.db2.gz IYDOEUNVXRAXIU-QWHCGFSZSA-N 1 0 390.517 1.139 20 0 GDADRO C[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1OCCc2ccccc21 ZINC000736791672 598258303 /nfs/dbraw/zinc/25/83/03/598258303.db2.gz BZNIPCNFGVNBNB-XLIONFOSSA-N 1 0 395.463 1.852 20 0 GDADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000735828049 598266098 /nfs/dbraw/zinc/26/60/98/598266098.db2.gz ZIFFUYKZSJGTCY-UHFFFAOYSA-N 1 0 379.490 1.003 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736239848 598266855 /nfs/dbraw/zinc/26/68/55/598266855.db2.gz YEZJXQKWQPUQPU-MGPQQGTHSA-N 1 0 391.501 1.288 20 0 GDADRO COCC[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736977668 598283986 /nfs/dbraw/zinc/28/39/86/598283986.db2.gz ZYDJOAPPCQSBLE-HNNXBMFYSA-N 1 0 387.488 1.509 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC000735624877 598284079 /nfs/dbraw/zinc/28/40/79/598284079.db2.gz BSBUZEUDJJDSPX-UHFFFAOYSA-N 1 0 399.459 1.399 20 0 GDADRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)C1 ZINC000736201008 598285816 /nfs/dbraw/zinc/28/58/16/598285816.db2.gz GBOXVAKSYLUUKI-WMLDXEAASA-N 1 0 389.467 1.835 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736236990 598286200 /nfs/dbraw/zinc/28/62/00/598286200.db2.gz NBBKAOMPDOPSKY-XHSDSOJGSA-N 1 0 383.500 1.777 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738066514 598293198 /nfs/dbraw/zinc/29/31/98/598293198.db2.gz PARCUQCPEOSEDM-UHFFFAOYSA-N 1 0 384.488 1.184 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000738098763 598329634 /nfs/dbraw/zinc/32/96/34/598329634.db2.gz BWZCWNCJTTVAGJ-UHFFFAOYSA-N 1 0 382.403 1.433 20 0 GDADRO O[C@H](C[NH+]1CCC(CNc2nccnc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738379725 598337268 /nfs/dbraw/zinc/33/72/68/598337268.db2.gz CDMQMROCVUTYQK-MRXNPFEDSA-N 1 0 380.456 1.514 20 0 GDADRO CCOCC[N@@H+]1CCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1CC ZINC000736619958 598345636 /nfs/dbraw/zinc/34/56/36/598345636.db2.gz SJTCLULXMCDAHY-QGZVFWFLSA-N 1 0 387.488 1.238 20 0 GDADRO Cc1cnn([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737446136 598355753 /nfs/dbraw/zinc/35/57/53/598355753.db2.gz WMXHZMVNRXFNTG-DLBZAZTESA-N 1 0 383.456 1.448 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737005517 598363224 /nfs/dbraw/zinc/36/32/24/598363224.db2.gz BMSFEDXZOBVPKS-SJLPKXTDSA-N 1 0 399.499 1.063 20 0 GDADRO CC[C@@H]1CN(CCC(=O)Nc2sccc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](C)O ZINC000736411247 598366397 /nfs/dbraw/zinc/36/63/97/598366397.db2.gz PUZOICDPZWJHHX-QWHCGFSZSA-N 1 0 393.517 1.034 20 0 GDADRO CCn1cnnc1C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736722310 598426492 /nfs/dbraw/zinc/42/64/92/598426492.db2.gz NVXUZDBLACFJHW-UHFFFAOYSA-N 1 0 395.471 1.686 20 0 GDADRO O=C(Nc1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000738162961 598432038 /nfs/dbraw/zinc/43/20/38/598432038.db2.gz JMRARAZNHUXGLN-GFCCVEGCSA-N 1 0 389.847 1.155 20 0 GDADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738026745 598444381 /nfs/dbraw/zinc/44/43/81/598444381.db2.gz UXGLAOIRAVJHHB-UHFFFAOYSA-N 1 0 377.452 1.699 20 0 GDADRO COc1cc(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)ccc1OCC[NH+](C)C ZINC000737045799 598463571 /nfs/dbraw/zinc/46/35/71/598463571.db2.gz NSOZQUSLOUCJOC-UHFFFAOYSA-N 1 0 397.439 1.141 20 0 GDADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738355221 598472684 /nfs/dbraw/zinc/47/26/84/598472684.db2.gz OIVHCUVJPUKJQK-OAHLLOKOSA-N 1 0 376.486 1.506 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000737288103 598485575 /nfs/dbraw/zinc/48/55/75/598485575.db2.gz IBHBTABSCRNPMK-KBPBESRZSA-N 1 0 385.472 1.493 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738178596 598486177 /nfs/dbraw/zinc/48/61/77/598486177.db2.gz XGPHRLFJFKTMRE-MRXNPFEDSA-N 1 0 383.456 1.282 20 0 GDADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000736868484 598510923 /nfs/dbraw/zinc/51/09/23/598510923.db2.gz RWSUARBTERSTOR-UHFFFAOYSA-N 1 0 392.467 1.286 20 0 GDADRO COc1cccc([C@@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N(C)C)c1 ZINC000737124477 598517781 /nfs/dbraw/zinc/51/77/81/598517781.db2.gz BQGNXYWWBAKUMS-SUMWQHHRSA-N 1 0 397.487 1.006 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(-n2cncn2)cc1 ZINC000736137836 598518468 /nfs/dbraw/zinc/51/84/68/598518468.db2.gz YNNHUVMXCJSEFP-OLZOCXBDSA-N 1 0 391.443 1.036 20 0 GDADRO C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCc2ccccc21 ZINC000736024556 598520172 /nfs/dbraw/zinc/52/01/72/598520172.db2.gz 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CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736568413 598596324 /nfs/dbraw/zinc/59/63/24/598596324.db2.gz BLJITDOFRKKJSL-MAUKXSAKSA-N 1 0 383.500 1.684 20 0 GDADRO O=C1CN(C[N@@H+]2CCC[C@@H]2C2CCC2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738302252 598601513 /nfs/dbraw/zinc/60/15/13/598601513.db2.gz KDSFNNNMMJGHAK-QGZVFWFLSA-N 1 0 395.467 1.853 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736758867 598635488 /nfs/dbraw/zinc/63/54/88/598635488.db2.gz JHEWVSFPQXVMNF-MRXNPFEDSA-N 1 0 397.414 1.363 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843713 598708653 /nfs/dbraw/zinc/70/86/53/598708653.db2.gz MTCLZKVSNKIQKL-INIZCTEOSA-N 1 0 383.456 1.282 20 0 GDADRO CC1(C)NC(=O)N(CC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000736215274 598764952 /nfs/dbraw/zinc/76/49/52/598764952.db2.gz VXELDVXQGGAELK-UHFFFAOYSA-N 1 0 399.455 1.040 20 0 GDADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O 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COc1ccccc1O[C@@H](C)C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821903452 599385723 /nfs/dbraw/zinc/38/57/23/599385723.db2.gz GRFTXSQZPGFFDP-SJCJKPOMSA-N 1 0 382.424 1.459 20 0 GDADRO COc1ccc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)cc1-c1nn[nH]n1 ZINC000821809648 599397054 /nfs/dbraw/zinc/39/70/54/599397054.db2.gz PXZVDSHQCXRESV-KRWDZBQOSA-N 1 0 398.467 1.940 20 0 GDADRO C[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000820711252 599439395 /nfs/dbraw/zinc/43/93/95/599439395.db2.gz VQHJRRZOORGGAW-CHWSQXEVSA-N 1 0 375.452 1.925 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820979443 599443513 /nfs/dbraw/zinc/44/35/13/599443513.db2.gz IIYWSROBPSPASB-INIZCTEOSA-N 1 0 387.488 1.809 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000735562204 599446703 /nfs/dbraw/zinc/44/67/03/599446703.db2.gz OHMVAYGBFCAAOQ-HNNXBMFYSA-N 1 0 399.499 1.238 20 0 GDADRO C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1cccc(Cl)c1 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DHGLTHGAZXAXRF-UHFFFAOYSA-N 1 0 379.424 1.829 20 0 GDADRO O[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)COc1ccc(F)cc1 ZINC000738385807 599487215 /nfs/dbraw/zinc/48/72/15/599487215.db2.gz YOUCKQCAWFNCNX-HNNXBMFYSA-N 1 0 383.387 1.183 20 0 GDADRO O[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)COc1cccc(F)c1 ZINC000738385131 599487283 /nfs/dbraw/zinc/48/72/83/599487283.db2.gz VVUHCUQFLIXUAO-HNNXBMFYSA-N 1 0 383.387 1.183 20 0 GDADRO CN(CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)C(=O)OC(C)(C)C ZINC000736801674 599488219 /nfs/dbraw/zinc/48/82/19/599488219.db2.gz SUWFXWYLGBSBQC-UHFFFAOYSA-N 1 0 386.460 1.861 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000737003549 599492701 /nfs/dbraw/zinc/49/27/01/599492701.db2.gz XUHSWYDAVAVGOS-GOSISDBHSA-N 1 0 399.499 1.509 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)C[C@@H]1C ZINC000820480184 599530866 /nfs/dbraw/zinc/53/08/66/599530866.db2.gz GGTVWPIQEJZLGE-QWRGUYRKSA-N 1 0 389.410 1.584 20 0 GDADRO 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O=C([O-])C1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000833137894 601414113 /nfs/dbraw/zinc/41/41/13/601414113.db2.gz PKQHKNKWKXISPP-UHFFFAOYSA-N 1 0 389.500 1.538 20 0 GDADRO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(-c2nn[nH]n2)cs1 ZINC000826433277 607510301 /nfs/dbraw/zinc/51/03/01/607510301.db2.gz ZWDVYUUELXFLHD-HNNXBMFYSA-N 1 0 384.465 1.077 20 0 GDADRO CCN(C1CC[NH+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1)S(C)(=O)=O ZINC000825394623 607519410 /nfs/dbraw/zinc/51/94/10/607519410.db2.gz FWUSNTAIXMSUHX-UHFFFAOYSA-N 1 0 394.501 1.121 20 0 GDADRO C[C@H]1CN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C[C@@H]1[NH+](C)C ZINC000828378395 601755555 /nfs/dbraw/zinc/75/55/55/601755555.db2.gz QIIYPVYSWOCTMU-YJBOKZPZSA-N 1 0 389.500 1.307 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000826183134 607526586 /nfs/dbraw/zinc/52/65/86/607526586.db2.gz FSYFQKCNVBFOGZ-UHFFFAOYSA-N 1 0 382.472 1.317 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 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ZINC000826407591 607748902 /nfs/dbraw/zinc/74/89/02/607748902.db2.gz UALVSTGZYZVVTI-CQSZACIVSA-N 1 0 381.444 1.199 20 0 GDADRO CN(CC(=O)Nc1cccc(-c2nn[nH]n2)c1)CC(C)(C)C[NH+]1CCOCC1 ZINC000825892015 607750985 /nfs/dbraw/zinc/75/09/85/607750985.db2.gz BUYYEVCAQLJPKV-UHFFFAOYSA-N 1 0 387.488 1.095 20 0 GDADRO CN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821573149 606033438 /nfs/dbraw/zinc/03/34/38/606033438.db2.gz CTPAGUXYQUBSOQ-QGZVFWFLSA-N 1 0 377.452 1.998 20 0 GDADRO c1cnc(N2CC[NH+](CCCCNc3ccc(-c4nn[nH]n4)nc3)CC2)nc1 ZINC000823810488 606076970 /nfs/dbraw/zinc/07/69/70/606076970.db2.gz YSXXZUOOQLLRLJ-UHFFFAOYSA-N 1 0 380.460 1.066 20 0 GDADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)C1 ZINC000820702811 606154775 /nfs/dbraw/zinc/15/47/75/606154775.db2.gz AIGKYMUOBFPHIM-KBPBESRZSA-N 1 0 387.492 1.719 20 0 GDADRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1)c1ccccc1 ZINC000820403129 606160689 /nfs/dbraw/zinc/16/06/89/606160689.db2.gz 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Cn1cc(-c2nn[nH]n2)cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000822636275 606285402 /nfs/dbraw/zinc/28/54/02/606285402.db2.gz BCCGGZHUUFQFGT-UHFFFAOYSA-N 1 0 385.497 1.909 20 0 GDADRO CC(C)N(CC[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000820116329 606307307 /nfs/dbraw/zinc/30/73/07/606307307.db2.gz HMKSSOFDWAVPMK-UHFFFAOYSA-N 1 0 380.518 1.349 20 0 GDADRO O=C([C@@H]1CC12CCOCC2)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822916699 606315368 /nfs/dbraw/zinc/31/53/68/606315368.db2.gz AGYMMXPPOSJXGE-SFHVURJKSA-N 1 0 396.495 1.718 20 0 GDADRO CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821573481 606317998 /nfs/dbraw/zinc/31/79/98/606317998.db2.gz RMEJPLVFYGYBBZ-UHFFFAOYSA-N 1 0 380.456 1.369 20 0 GDADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000821608368 606331021 /nfs/dbraw/zinc/33/10/21/606331021.db2.gz DFDZZQDOMHVXCZ-KRWDZBQOSA-N 1 0 375.502 1.445 20 0 GDADRO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821000947 606331406 /nfs/dbraw/zinc/33/14/06/606331406.db2.gz MPUGSCIOXORDGN-FGTMMUONSA-N 1 0 386.500 1.555 20 0 GDADRO Cn1cc(C[C@@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)cn1 ZINC000822674599 606333011 /nfs/dbraw/zinc/33/30/11/606333011.db2.gz XUJDZOVPOSLKTC-SWLSCSKDSA-N 1 0 398.496 1.332 20 0 GDADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000823343692 606356433 /nfs/dbraw/zinc/35/64/33/606356433.db2.gz DMCSGKLLRUSFLZ-GJZGRUSLSA-N 1 0 375.408 1.069 20 0 GDADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822237156 606386552 /nfs/dbraw/zinc/38/65/52/606386552.db2.gz HPRMVLGSXIZGQT-UHFFFAOYSA-N 1 0 393.451 1.492 20 0 GDADRO CC[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1ccccc1F ZINC000820907804 606427602 /nfs/dbraw/zinc/42/76/02/606427602.db2.gz HHHUTMRQDWJDIP-QWHCGFSZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000820751865 606534469 /nfs/dbraw/zinc/53/44/69/606534469.db2.gz IJWZAUBLZILDJO-DAYGRLMNSA-N 1 0 384.484 1.509 20 0 GDADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(-c2nn[nH]n2)cs1 ZINC000823170701 606573636 /nfs/dbraw/zinc/57/36/36/606573636.db2.gz GTNIQADJJOIMNI-GOSISDBHSA-N 1 0 384.465 1.295 20 0 GDADRO CC[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1cccc(F)c1 ZINC000820907698 606610733 /nfs/dbraw/zinc/61/07/33/606610733.db2.gz FYLKOJVLBVRVDG-OCCSQVGLSA-N 1 0 386.435 1.691 20 0 GDADRO COC(=O)CCC1CC[NH+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000821660241 606614251 /nfs/dbraw/zinc/61/42/51/606614251.db2.gz KPXQIKCIKJDFKF-KRWDZBQOSA-N 1 0 398.467 1.637 20 0 GDADRO COC(=O)CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821660286 606614394 /nfs/dbraw/zinc/61/43/94/606614394.db2.gz LZGJSAANUPILER-CYBMUJFWSA-N 1 0 386.456 1.859 20 0 GDADRO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822477101 606617113 /nfs/dbraw/zinc/61/71/13/606617113.db2.gz GIKFPZQLQOGPOX-IRXDYDNUSA-N 1 0 383.456 1.276 20 0 GDADRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819922026 606618026 /nfs/dbraw/zinc/61/80/26/606618026.db2.gz DVJDSNQNALXGDF-LSDHHAIUSA-N 1 0 389.456 1.270 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)C[C@H]1CCOC1 ZINC000819877036 606620854 /nfs/dbraw/zinc/62/08/54/606620854.db2.gz NOAIUCTWOKIZPX-GHMZBOCLSA-N 1 0 376.486 1.712 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000822146438 606636619 /nfs/dbraw/zinc/63/66/19/606636619.db2.gz YBWYFQCNEXBSEF-VNHYZAJKSA-N 1 0 392.529 1.820 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C)c2-c2nn[nH]n2)C[C@@H]1C ZINC000821255071 606637037 /nfs/dbraw/zinc/63/70/37/606637037.db2.gz TVFUSQXMEZYGIQ-KBPBESRZSA-N 1 0 385.472 1.445 20 0 GDADRO CC(C)[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nc2ccccc2[nH]1 ZINC000820026623 606638888 /nfs/dbraw/zinc/63/88/88/606638888.db2.gz KVHURUUCHGZKMH-MLGOLLRUSA-N 1 0 392.471 1.968 20 0 GDADRO CC[N@H+]1C[C@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)[C@@H](C)C1 ZINC000821239824 606696359 /nfs/dbraw/zinc/69/63/59/606696359.db2.gz DDYIDQAYKDFILP-CABZTGNLSA-N 1 0 381.387 1.930 20 0 GDADRO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820563708 606699504 /nfs/dbraw/zinc/69/95/04/606699504.db2.gz UCVABQZSFUNGRJ-CYBMUJFWSA-N 1 0 397.487 1.256 20 0 GDADRO Cc1ccc(C)c(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c1 ZINC000822231744 606701130 /nfs/dbraw/zinc/70/11/30/606701130.db2.gz GCVJAFMJSMNJTE-UHFFFAOYSA-N 1 0 383.460 1.292 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cccc(Br)c1 ZINC000821601518 606701200 /nfs/dbraw/zinc/70/12/00/606701200.db2.gz LNKSGNOTBGBVGZ-UHFFFAOYSA-N 1 0 391.277 1.999 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000820711409 606740742 /nfs/dbraw/zinc/74/07/42/606740742.db2.gz YMEDWNJQKKPJFH-SNVBAGLBSA-N 1 0 377.836 1.059 20 0 GDADRO CC1(C)C[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2O1 ZINC000820590710 606741737 /nfs/dbraw/zinc/74/17/37/606741737.db2.gz YVUPFJPVJRDFHR-WFASDCNBSA-N 1 0 380.456 1.997 20 0 GDADRO CC[C@@H]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000820972966 606775280 /nfs/dbraw/zinc/77/52/80/606775280.db2.gz SHPZMADWFLEDTL-QZTJIDSGSA-N 1 0 384.484 1.859 20 0 GDADRO O=C(CC[N@@H+]1CCc2ccccc2[C@@H]1CO)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822969645 606788411 /nfs/dbraw/zinc/78/84/11/606788411.db2.gz VGGLTSNRLYEEOU-SFHVURJKSA-N 1 0 378.436 1.787 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@@H]1[NH+](C)C ZINC000820744370 606834456 /nfs/dbraw/zinc/83/44/56/606834456.db2.gz YHSMGCUKSJKAGE-CABZTGNLSA-N 1 0 381.387 1.882 20 0 GDADRO O[C@H](C[NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682641 606844975 /nfs/dbraw/zinc/84/49/75/606844975.db2.gz SYLUWOWEFBQJEA-GOSISDBHSA-N 1 0 386.500 1.525 20 0 GDADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000821586477 606845112 /nfs/dbraw/zinc/84/51/12/606845112.db2.gz 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ZINC000824420563 608061748 /nfs/dbraw/zinc/06/17/48/608061748.db2.gz MPVKXQUZILTDBN-MAUKXSAKSA-N 1 0 399.499 1.824 20 0 GDADRO CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC000825452459 608062118 /nfs/dbraw/zinc/06/21/18/608062118.db2.gz OUKOYZKSLYUETP-IRXDYDNUSA-N 1 0 385.472 1.434 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC000826029566 608063663 /nfs/dbraw/zinc/06/36/63/608063663.db2.gz TYPGLZAILIEMGQ-WMLDXEAASA-N 1 0 385.472 1.291 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)C[N@@H+]1C1CC1 ZINC000824892788 608065113 /nfs/dbraw/zinc/06/51/13/608065113.db2.gz MSRBUSMIZFFBCM-RPVQJOFSSA-N 1 0 397.483 1.575 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000826277639 608119316 /nfs/dbraw/zinc/11/93/16/608119316.db2.gz BHTCBGZBNQAYJN-CRAIPNDOSA-N 1 0 398.515 1.665 20 0 GDADRO O=C(CC[N@@H+]1CCOCC2(CCOCC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407341 608133936 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608334891 /nfs/dbraw/zinc/33/48/91/608334891.db2.gz PDXXWIYZEVSZAU-ABAIWWIYSA-N 1 0 382.465 1.108 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000825975979 608392524 /nfs/dbraw/zinc/39/25/24/608392524.db2.gz CSKSCTPTMODWHW-UHFFFAOYSA-N 1 0 384.463 1.799 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826389705 608436057 /nfs/dbraw/zinc/43/60/57/608436057.db2.gz GDHFMRMYIPXANI-OAHLLOKOSA-N 1 0 375.864 1.439 20 0 GDADRO COCCN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)OC(C)(C)C ZINC000826158190 608451268 /nfs/dbraw/zinc/45/12/68/608451268.db2.gz FCJOZGFKRKQDJW-UHFFFAOYSA-N 1 0 376.461 1.840 20 0 GDADRO CC(C)([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1CCCC1 ZINC000824166724 608458073 /nfs/dbraw/zinc/45/80/73/608458073.db2.gz IZAKACZLGYZVIX-UHFFFAOYSA-N 1 0 399.499 1.870 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553656 608462283 /nfs/dbraw/zinc/46/22/83/608462283.db2.gz FDSYPULLARZPCU-ZDUSSCGKSA-N 1 0 379.424 1.543 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554172 608464468 /nfs/dbraw/zinc/46/44/68/608464468.db2.gz NGASZTDBBHIBHW-LLVKDONJSA-N 1 0 385.453 1.605 20 0 GDADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCCC1 ZINC000824478895 608466125 /nfs/dbraw/zinc/46/61/25/608466125.db2.gz JSJKKUIGVBRSKQ-KBPBESRZSA-N 1 0 385.472 1.035 20 0 GDADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCCC1 ZINC000824478901 608466235 /nfs/dbraw/zinc/46/62/35/608466235.db2.gz JSJKKUIGVBRSKQ-UONOGXRCSA-N 1 0 385.472 1.035 20 0 GDADRO NC(=O)CCC1CC[NH+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000826391017 608469205 /nfs/dbraw/zinc/46/92/05/608469205.db2.gz UEYLRSTUKYECLD-UHFFFAOYSA-N 1 0 382.428 1.394 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824619650 608486357 /nfs/dbraw/zinc/48/63/57/608486357.db2.gz YDOQOMJNIWVTIO-ZDUSSCGKSA-N 1 0 386.481 1.968 20 0 GDADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000825476508 608491401 /nfs/dbraw/zinc/49/14/01/608491401.db2.gz MFQVDLLTUXARJY-CYBMUJFWSA-N 1 0 393.451 1.906 20 0 GDADRO c1cnn(-c2cccc(C[NH+]3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)c2)c1 ZINC000826515614 608511360 /nfs/dbraw/zinc/51/13/60/608511360.db2.gz FBVWOXQADLRBKI-UHFFFAOYSA-N 1 0 387.451 1.770 20 0 GDADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000530463714 649976464 /nfs/dbraw/zinc/97/64/64/649976464.db2.gz YFGZYMCCSFUWJT-LLVKDONJSA-N 1 0 387.889 1.140 20 0 GDADRO CC(C)[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)C(=O)N1CCCC1 ZINC000824338003 608527184 /nfs/dbraw/zinc/52/71/84/608527184.db2.gz MKQSXRDQSDTMTB-AWEZNQCLSA-N 1 0 391.501 1.493 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)nc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000826280430 608540851 /nfs/dbraw/zinc/54/08/51/608540851.db2.gz BJXTVKIAOUHKGP-UHFFFAOYSA-N 1 0 378.484 1.800 20 0 GDADRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cnc2c(C(N)=O)cnn2c1 ZINC000825323550 608548271 /nfs/dbraw/zinc/54/82/71/608548271.db2.gz YEYUIRAJMMRZOY-UHFFFAOYSA-N 1 0 391.439 1.421 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824184820 608554732 /nfs/dbraw/zinc/55/47/32/608554732.db2.gz LUCOKDWZBDPVLW-HNNXBMFYSA-N 1 0 389.508 1.074 20 0 GDADRO CN(C)C(=O)c1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)[nH]1 ZINC000825845769 608584678 /nfs/dbraw/zinc/58/46/78/608584678.db2.gz MCQGIVUBLCNSTQ-UHFFFAOYSA-N 1 0 394.483 1.609 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000826522245 608665866 /nfs/dbraw/zinc/66/58/66/608665866.db2.gz SQQYXIPLMHMAFF-AWEZNQCLSA-N 1 0 375.440 1.843 20 0 GDADRO C[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825991894 608684543 /nfs/dbraw/zinc/68/45/43/608684543.db2.gz LAVMGNFZKJBNCR-CQSZACIVSA-N 1 0 398.471 1.956 20 0 GDADRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826364526 608705191 /nfs/dbraw/zinc/70/51/91/608705191.db2.gz ZGEMPMBMQOJUHK-KRWDZBQOSA-N 1 0 393.455 1.194 20 0 GDADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cnc3ccc(-c4nn[nH]n4)cn13)CC2 ZINC000825582543 608723543 /nfs/dbraw/zinc/72/35/43/608723543.db2.gz LAZOXJXSQKCJAV-HZPDHXFCSA-N 1 0 383.456 1.266 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(Cc3cc(-c4nn[nH]n4)cs3)CC2)CC1 ZINC000824295898 608742202 /nfs/dbraw/zinc/74/22/02/608742202.db2.gz BLSLCNPCMXHWNA-UHFFFAOYSA-N 1 0 375.546 1.919 20 0 GDADRO CCC[NH+]1CCC(N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825326894 609169317 /nfs/dbraw/zinc/16/93/17/609169317.db2.gz HSMDMKGOTNLPOC-SFHVURJKSA-N 1 0 383.500 1.826 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@@H](C)O1 ZINC000530617365 649980099 /nfs/dbraw/zinc/98/00/99/649980099.db2.gz ZXQYPUIWJXMZQL-XJKCOSOUSA-N 1 0 375.922 1.886 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000825406091 609212889 /nfs/dbraw/zinc/21/28/89/609212889.db2.gz JEENBUSZZMKJCL-WBVHZDCISA-N 1 0 384.440 1.692 20 0 GDADRO CC[NH+]1CCC(N(C)C(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)CC1 ZINC000825453213 609220745 /nfs/dbraw/zinc/22/07/45/609220745.db2.gz UHEMZCATBHNOON-UHFFFAOYSA-N 1 0 394.483 1.917 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825981095 609239331 /nfs/dbraw/zinc/23/93/31/609239331.db2.gz ONBGSUSVIFWAPG-RBUKOAKNSA-N 1 0 392.463 1.633 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000826158312 609316089 /nfs/dbraw/zinc/31/60/89/609316089.db2.gz KCINOJHHCQPBMT-HNNXBMFYSA-N 1 0 399.499 1.675 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824640767 609317380 /nfs/dbraw/zinc/31/73/80/609317380.db2.gz OHBSUEABGOIWQY-HIFRSBDPSA-N 1 0 390.513 1.798 20 0 GDADRO Cn1cc(C[NH2+]CCc2nnc3n2CCC3)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361631 609337714 /nfs/dbraw/zinc/33/77/14/609337714.db2.gz GLHSHVSSPGCUPX-UHFFFAOYSA-N 1 0 390.455 1.137 20 0 GDADRO Cn1cc(C[NH2+]C[C@@H](O)Cc2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360951 609338143 /nfs/dbraw/zinc/33/81/43/609338143.db2.gz DTHFDBSTGSCZSR-IBGZPJMESA-N 1 0 389.463 1.960 20 0 GDADRO Cn1cc(C[NH2+]CC[S@@](=O)C(C)(C)C)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361698 609340608 /nfs/dbraw/zinc/34/06/08/609340608.db2.gz JUSKFSBWDFGKAL-HHHXNRCGSA-N 1 0 387.513 1.904 20 0 GDADRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000826391022 609359953 /nfs/dbraw/zinc/35/99/53/609359953.db2.gz UKKRQMBBSAIWKK-LBPRGKRZSA-N 1 0 379.262 1.859 20 0 GDADRO COCC[N@@H+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@H]1C ZINC000826159572 609362620 /nfs/dbraw/zinc/36/26/20/609362620.db2.gz KGMGPOFVWJBENA-GFCCVEGCSA-N 1 0 395.305 1.782 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826442751 609376723 /nfs/dbraw/zinc/37/67/23/609376723.db2.gz JYEFRDKYHKTKQM-GOSISDBHSA-N 1 0 393.451 1.755 20 0 GDADRO CCCn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000825356916 609378523 /nfs/dbraw/zinc/37/85/23/609378523.db2.gz PVKPREVPTDZIMS-UHFFFAOYSA-N 1 0 382.472 1.677 20 0 GDADRO CC1(C)[C@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[C@@H]2CCO[C@@H]21 ZINC000824784019 609416009 /nfs/dbraw/zinc/41/60/09/609416009.db2.gz MSQXFRIBANMQMU-HZMVEIRTSA-N 1 0 382.468 1.765 20 0 GDADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000826423445 609416949 /nfs/dbraw/zinc/41/69/49/609416949.db2.gz PHLKPPDRJZWOQK-IBGZPJMESA-N 1 0 392.463 1.292 20 0 GDADRO O=C(C[NH2+][C@H](CO)C1CCCCC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826412127 609428858 /nfs/dbraw/zinc/42/88/58/609428858.db2.gz CGQIBCFKNSICMA-OAHLLOKOSA-N 1 0 378.864 1.989 20 0 GDADRO Cc1ccnc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1-c1nn[nH]n1 ZINC000826313908 609533174 /nfs/dbraw/zinc/53/31/74/609533174.db2.gz YCLYQWAMXGXPHP-UHFFFAOYSA-N 1 0 382.447 1.943 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000825301668 609552682 /nfs/dbraw/zinc/55/26/82/609552682.db2.gz OKMPSBZVUIRLEI-GFCCVEGCSA-N 1 0 398.920 1.873 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1cnn(CC(F)(F)F)c1)NC[C@@H]1CCCCO1 ZINC000531909628 650001458 /nfs/dbraw/zinc/00/14/58/650001458.db2.gz YKXLCJODTCSHFB-ZDUSSCGKSA-N 1 0 384.424 1.024 20 0 GDADRO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000532551831 650027458 /nfs/dbraw/zinc/02/74/58/650027458.db2.gz WWHHUYKFYNZPQK-UHFFFAOYSA-N 1 0 395.305 1.675 20 0 GDADRO O=C(NCc1n[nH]cc1Br)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000532652982 650029398 /nfs/dbraw/zinc/02/93/98/650029398.db2.gz YNHBMLIESNWPQN-KBPBESRZSA-N 1 0 386.294 1.349 20 0 GDADRO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)[C@H]1c1ccccc1 ZINC000534756750 650229754 /nfs/dbraw/zinc/22/97/54/650229754.db2.gz LFVAUACRUOESNA-WMLDXEAASA-N 1 0 379.507 1.500 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cnc2c1Cl ZINC000535042601 650239189 /nfs/dbraw/zinc/23/91/89/650239189.db2.gz KSLDLBOWOCCNEL-CYBMUJFWSA-N 1 0 383.905 1.798 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000535786867 650256310 /nfs/dbraw/zinc/25/63/10/650256310.db2.gz YSVXNNLIPPKVNO-GHMZBOCLSA-N 1 0 379.935 1.573 20 0 GDADRO O=C1NC(=O)C2(CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)N1 ZINC000536343926 650268840 /nfs/dbraw/zinc/26/88/40/650268840.db2.gz XNFUVGFVNXASQU-JTQLQIEISA-N 1 0 388.251 1.407 20 0 GDADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000536854369 650281858 /nfs/dbraw/zinc/28/18/58/650281858.db2.gz VEICTKDTWFGMLP-XJKSGUPXSA-N 1 0 388.917 1.480 20 0 GDADRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1(C)C ZINC000538398098 650309347 /nfs/dbraw/zinc/30/93/47/650309347.db2.gz JXJNYZZGPZVWDM-VBNZEHGJSA-N 1 0 388.555 1.918 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)c1cnc2ccsc2c1 ZINC000538523639 650313488 /nfs/dbraw/zinc/31/34/88/650313488.db2.gz GZNJAKUNRXHQPP-FRRDWIJNSA-N 1 0 381.523 1.886 20 0 GDADRO CC[NH+](CC)[C@@H](C(=O)NCCS(N)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000538823362 650323390 /nfs/dbraw/zinc/32/33/90/650323390.db2.gz NEGJOETWMQBHRZ-CYBMUJFWSA-N 1 0 381.420 1.493 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc(NS(C)(=O)=O)c1 ZINC000539039600 650327519 /nfs/dbraw/zinc/32/75/19/650327519.db2.gz HMQOXAFYFRSQQP-IUODEOHRSA-N 1 0 375.516 1.133 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc([S@@](C)=O)cc1 ZINC000539369865 650333092 /nfs/dbraw/zinc/33/30/92/650333092.db2.gz QGSHWTBYPDRFRH-ZVEAFRNNSA-N 1 0 386.539 1.109 20 0 GDADRO C[C@@H]1[C@H](C)N(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CC[N@H+]1C ZINC000540012220 650346457 /nfs/dbraw/zinc/34/64/57/650346457.db2.gz KACAWQLLYZAKJO-MNOVXSKESA-N 1 0 379.935 1.573 20 0 GDADRO CC[C@@H](CSC)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000540198238 650350925 /nfs/dbraw/zinc/35/09/25/650350925.db2.gz GLMCJWNXXOIITG-JSGCOSHPSA-N 1 0 385.555 1.685 20 0 GDADRO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000540602243 650365126 /nfs/dbraw/zinc/36/51/26/650365126.db2.gz HGTANUINWHNHQV-VXGBXAGGSA-N 1 0 378.416 1.734 20 0 GDADRO CC(C)Sc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000540964821 650374745 /nfs/dbraw/zinc/37/47/45/650374745.db2.gz BNPBRRCCNOULCJ-ZWKOTPCHSA-N 1 0 384.567 1.775 20 0 GDADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)CCNS(=O)(=O)CC)CC1 ZINC000541124440 650378524 /nfs/dbraw/zinc/37/85/24/650378524.db2.gz MUIZSQCEMQIIAA-UHFFFAOYSA-N 1 0 397.607 1.090 20 0 GDADRO CSc1ccccc1C[C@H](C)[NH2+][C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000542162605 650399994 /nfs/dbraw/zinc/39/99/94/650399994.db2.gz QQBHZKMPAHXPTN-RRFJBIMHSA-N 1 0 384.567 1.869 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000542978362 650416148 /nfs/dbraw/zinc/41/61/48/650416148.db2.gz FMOPKEUIWUPDGL-OAHLLOKOSA-N 1 0 376.475 1.328 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2ccncc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000542812541 650413342 /nfs/dbraw/zinc/41/33/42/650413342.db2.gz VKLCMXWZBVMIID-CZUORRHYSA-N 1 0 396.333 1.756 20 0 GDADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)ccc1S(C)(=O)=O ZINC000543428897 650422269 /nfs/dbraw/zinc/42/22/69/650422269.db2.gz HSSILJWWJYMLPI-TZMCWYRMSA-N 1 0 375.512 1.717 20 0 GDADRO CCS(=O)(=O)c1cccc(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000543125578 650418681 /nfs/dbraw/zinc/41/86/81/650418681.db2.gz CDWIMQRKUMLKNP-KRWDZBQOSA-N 1 0 385.555 1.717 20 0 GDADRO COCCN1CC[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)C1 ZINC000544357176 650438569 /nfs/dbraw/zinc/43/85/69/650438569.db2.gz XPUPVHCYNLMSAZ-MRXNPFEDSA-N 1 0 384.318 1.879 20 0 GDADRO O=C1CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c2ccccc2N1 ZINC000544380082 650439047 /nfs/dbraw/zinc/43/90/47/650439047.db2.gz URBJAVWTKSZKTI-JSGCOSHPSA-N 1 0 380.491 1.946 20 0 GDADRO O=C1CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c2ccccc2N1 ZINC000544380084 650439132 /nfs/dbraw/zinc/43/91/32/650439132.db2.gz URBJAVWTKSZKTI-TZMCWYRMSA-N 1 0 380.491 1.946 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)C[C@H]1[NH+]1CCCC1 ZINC000544686922 650444165 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Cc1cc(I)ccc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000569555441 651003350 /nfs/dbraw/zinc/00/33/50/651003350.db2.gz SHLCQLGMUFVBSF-LBPRGKRZSA-N 1 0 388.253 1.706 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CCCC1 ZINC000330518760 645369205 /nfs/dbraw/zinc/36/92/05/645369205.db2.gz JXDUVAWMEXKAEV-UHFFFAOYSA-N 1 0 393.506 1.350 20 0 GDADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000330574344 645377101 /nfs/dbraw/zinc/37/71/01/645377101.db2.gz FJGCNAJQIVGAQJ-RYUDHWBXSA-N 1 0 375.441 1.184 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000330614574 645383906 /nfs/dbraw/zinc/38/39/06/645383906.db2.gz SZGQBGSTQRTYPH-RWMBFGLXSA-N 1 0 385.452 1.237 20 0 GDADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000330620572 645385103 /nfs/dbraw/zinc/38/51/03/645385103.db2.gz ABYDPTGPAWPEII-RYUDHWBXSA-N 1 0 375.441 1.184 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000330620030 645385315 /nfs/dbraw/zinc/38/53/15/645385315.db2.gz ZWSFAEWKYMDRFZ-BZUAXINKSA-N 1 0 385.917 1.895 20 0 GDADRO C[S@@](=O)Cc1cc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)ccc1Cl ZINC000569599007 651006211 /nfs/dbraw/zinc/00/62/11/651006211.db2.gz KBNWGGBAGGMHFQ-RUZDIDTESA-N 1 0 381.889 1.987 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000569605696 651006923 /nfs/dbraw/zinc/00/69/23/651006923.db2.gz PKZVOLHREHCJNV-ONGXEEELSA-N 1 0 375.878 1.726 20 0 GDADRO CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N[C@H](CC[NH3+])C(F)F)cc1 ZINC000569606224 651006978 /nfs/dbraw/zinc/00/69/78/651006978.db2.gz BKBXONVFZYLGAT-CYBMUJFWSA-N 1 0 379.429 1.314 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000569676908 651010065 /nfs/dbraw/zinc/01/00/65/651010065.db2.gz LMGOEMACXZBEON-WDEREUQCSA-N 1 0 394.950 1.591 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000331412093 645511484 /nfs/dbraw/zinc/51/14/84/645511484.db2.gz RQJOPDDLJSRVOV-DFBGVHRSSA-N 1 0 380.286 1.859 20 0 GDADRO CS[C@@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)C[C@H]1[NH+](C)C ZINC000331416550 645511886 /nfs/dbraw/zinc/51/18/86/645511886.db2.gz DILXQFNKGKZVSG-NXEZZACHSA-N 1 0 385.291 1.004 20 0 GDADRO O=S(=O)([C@H]1CCC[N@H+](CCCO[C@H]2CCCCO2)C1)N1CCOCC1 ZINC000367290542 645600139 /nfs/dbraw/zinc/60/01/39/645600139.db2.gz MSFLKLYDYMXWNR-IRXDYDNUSA-N 1 0 376.519 1.046 20 0 GDADRO Cn1cncc1CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000368268059 645615005 /nfs/dbraw/zinc/61/50/05/645615005.db2.gz YQQGEPYSMJFXSG-CQSZACIVSA-N 1 0 392.257 1.565 20 0 GDADRO O=C(C(=O)N1CCc2cc(Br)cc(F)c21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000570183708 651028450 /nfs/dbraw/zinc/02/84/50/651028450.db2.gz NHJFCYNBPSKLRX-KRWDZBQOSA-N 1 0 396.260 1.689 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000570201893 651029707 /nfs/dbraw/zinc/02/97/07/651029707.db2.gz MLAOTNHODAJLRO-HUUCEWRRSA-N 1 0 376.906 1.231 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccccc1Br ZINC000369470100 645642844 /nfs/dbraw/zinc/64/28/44/645642844.db2.gz VDYDXLITYSYVPM-VXGBXAGGSA-N 1 0 382.258 1.367 20 0 GDADRO C[N@@H+]1C[C@H](NC(=O)CNS(=O)(=O)c2cccs2)[C@@H](c2ccccc2)C1 ZINC000369775520 645658887 /nfs/dbraw/zinc/65/88/87/645658887.db2.gz YAJDEPIMIBHHJD-CABCVRRESA-N 1 0 379.507 1.240 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@H]1CCC[NH2+]CC1 ZINC000370015871 645667659 /nfs/dbraw/zinc/66/76/59/645667659.db2.gz BAQDZEDHYFFJRK-NSHDSACASA-N 1 0 380.242 1.303 20 0 GDADRO O=C(COc1ccc(I)cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000370172544 645670009 /nfs/dbraw/zinc/67/00/09/645670009.db2.gz KMOJJSLBGKYIPP-SMDDNHRTSA-N 1 0 386.233 1.880 20 0 GDADRO COC[C@@H](C)S(=O)(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370265248 645677724 /nfs/dbraw/zinc/67/77/24/645677724.db2.gz NTZWXHQVGOLCHW-MRXNPFEDSA-N 1 0 375.579 1.479 20 0 GDADRO CN1CCN([C@H](CNC(=O)c2csc(CC[NH3+])n2)c2cccs2)CC1 ZINC000570283273 651033761 /nfs/dbraw/zinc/03/37/61/651033761.db2.gz PGXAHWBKIFPQCY-CQSZACIVSA-N 1 0 379.555 1.424 20 0 GDADRO COCC[NH2+]C1CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000570521750 651044101 /nfs/dbraw/zinc/04/41/01/651044101.db2.gz ZPYYVVBBCZOEPF-UHFFFAOYSA-N 1 0 383.333 1.900 20 0 GDADRO O[C@H](CNC[C@H](O)COc1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000570569829 651044850 /nfs/dbraw/zinc/04/48/50/651044850.db2.gz DZJLRAGEYAXHGJ-CVEARBPZSA-N 1 0 387.318 1.625 20 0 GDADRO NC(=O)CN1CCCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000372361158 645807411 /nfs/dbraw/zinc/80/74/11/645807411.db2.gz PLXWEJRGYUJTSH-UHFFFAOYSA-N 1 0 379.258 1.564 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000372429204 645815760 /nfs/dbraw/zinc/81/57/60/645815760.db2.gz WXEPWNHRBVJSOR-LBPRGKRZSA-N 1 0 389.905 1.137 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000372443298 645817846 /nfs/dbraw/zinc/81/78/46/645817846.db2.gz LCFKYKFOLHLWRU-SWLSCSKDSA-N 1 0 397.317 1.972 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000570631974 651047844 /nfs/dbraw/zinc/04/78/44/651047844.db2.gz ZDQIJIZRFNQHPJ-VIFPVBQESA-N 1 0 379.276 1.641 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000378029850 645864107 /nfs/dbraw/zinc/86/41/07/645864107.db2.gz XBBZKKQADQJHHT-WDEREUQCSA-N 1 0 375.288 1.688 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000378029847 645864127 /nfs/dbraw/zinc/86/41/27/645864127.db2.gz XBBZKKQADQJHHT-QWRGUYRKSA-N 1 0 375.288 1.688 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCc3sc(Cl)cc32)n1 ZINC000570765699 651054714 /nfs/dbraw/zinc/05/47/14/651054714.db2.gz VDZHEOHTHPOCCH-NSHDSACASA-N 1 0 381.889 1.902 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000378236965 645872032 /nfs/dbraw/zinc/87/20/32/645872032.db2.gz YZJJCGZWZJCMBX-VXGBXAGGSA-N 1 0 388.511 1.696 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000378393533 645882908 /nfs/dbraw/zinc/88/29/08/645882908.db2.gz HIGXTEGUIMDOAR-CYBMUJFWSA-N 1 0 385.917 1.609 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC[NH2+]1 ZINC000415418864 645893083 /nfs/dbraw/zinc/89/30/83/645893083.db2.gz SMCBAUKDPPTKGA-SECBINFHSA-N 1 0 383.239 1.333 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415418970 645893102 /nfs/dbraw/zinc/89/31/02/645893102.db2.gz PKUOJKXRHKWIKJ-JTQLQIEISA-N 1 0 384.267 1.982 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H](C)C[NH3+])cc(Br)c1F ZINC000415514451 645895793 /nfs/dbraw/zinc/89/57/93/645895793.db2.gz ZOWISFJCHRLGAL-SSDOTTSWSA-N 1 0 390.209 1.024 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c(I)c1 ZINC000415512769 645895799 /nfs/dbraw/zinc/89/57/99/645895799.db2.gz VATSPENGWVTPGJ-QMMMGPOBSA-N 1 0 393.200 1.388 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415533856 645896963 /nfs/dbraw/zinc/89/69/63/645896963.db2.gz XMLQWIPPJXOLOK-YUMQZZPRSA-N 1 0 376.201 1.862 20 0 GDADRO CN(CC[NH3+])C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000417679455 645906040 /nfs/dbraw/zinc/90/60/40/645906040.db2.gz DWRLGVWFQXTNOE-UHFFFAOYSA-N 1 0 392.319 1.602 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)C1CC1 ZINC000417716613 645906727 /nfs/dbraw/zinc/90/67/27/645906727.db2.gz AGUDQCZFAYIRLE-GFCCVEGCSA-N 1 0 379.262 1.771 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419072390 645911591 /nfs/dbraw/zinc/91/15/91/645911591.db2.gz LPSSRAGFJDXYPL-ZDUSSCGKSA-N 1 0 397.317 1.069 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)CC[NH2+]1 ZINC000419177981 645913471 /nfs/dbraw/zinc/91/34/71/645913471.db2.gz AZUYIDJZJGVAJF-LBPRGKRZSA-N 1 0 382.302 1.663 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419182874 645913972 /nfs/dbraw/zinc/91/39/72/645913972.db2.gz HYUJNMGWSNXGDM-GXTWGEPZSA-N 1 0 397.317 1.116 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1Br ZINC000419183136 645914657 /nfs/dbraw/zinc/91/46/57/645914657.db2.gz ICGKEYNDVRDDOF-GFCCVEGCSA-N 1 0 398.301 1.029 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000419401956 645916169 /nfs/dbraw/zinc/91/61/69/645916169.db2.gz AYYSXNIWHNFKPX-UHFFFAOYSA-N 1 0 398.301 1.619 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000419417937 645916662 /nfs/dbraw/zinc/91/66/62/645916662.db2.gz QGTUNKQXTYFDKE-DTWKUNHWSA-N 1 0 396.245 1.140 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000419434829 645917326 /nfs/dbraw/zinc/91/73/26/645917326.db2.gz BTNQRADCDLZWGU-WCQYABFASA-N 1 0 398.301 1.517 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000419460864 645918631 /nfs/dbraw/zinc/91/86/31/645918631.db2.gz JRAYLTDCXMRZIO-CHWSQXEVSA-N 1 0 394.313 1.983 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)CC[NH2+]1 ZINC000419460078 645918771 /nfs/dbraw/zinc/91/87/71/645918771.db2.gz HRMKIOBDLQYCEJ-UHFFFAOYSA-N 1 0 394.313 1.807 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000419463635 645919142 /nfs/dbraw/zinc/91/91/42/645919142.db2.gz PHYIRNWMONJVKG-QWHCGFSZSA-N 1 0 394.313 1.841 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCc2cc(Cl)ccc2Br)C1 ZINC000419490181 645920215 /nfs/dbraw/zinc/92/02/15/645920215.db2.gz DYQPWSBTBBBUQF-GFCCVEGCSA-N 1 0 388.693 1.711 20 0 GDADRO O=C(NCCc1cc(Cl)ccc1Br)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419507830 645921347 /nfs/dbraw/zinc/92/13/47/645921347.db2.gz YWIJCSOWJACGLW-GFCCVEGCSA-N 1 0 388.693 1.629 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1c(Cl)cccc1Cl ZINC000419513146 645922058 /nfs/dbraw/zinc/92/20/58/645922058.db2.gz FPPHIZOOXUYCEQ-VXGBXAGGSA-N 1 0 388.295 1.708 20 0 GDADRO Cc1nc(-c2ccc(S(=O)(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)s2)cs1 ZINC000570826428 651057353 /nfs/dbraw/zinc/05/73/53/651057353.db2.gz AJMWOYARYOFKJZ-MNOVXSKESA-N 1 0 398.535 1.113 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cnc(N(C)C)n1C ZINC000419708276 645927364 /nfs/dbraw/zinc/92/73/64/645927364.db2.gz MZQLCCZRXWBPLL-UHFFFAOYSA-N 1 0 385.921 1.516 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc(Br)s1 ZINC000419709765 645927749 /nfs/dbraw/zinc/92/77/49/645927749.db2.gz NOCMCPWSPJLGHB-VHSXEESVSA-N 1 0 390.303 1.264 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000419867387 645932258 /nfs/dbraw/zinc/93/22/58/645932258.db2.gz VCMFURDKMDIYEX-CYBMUJFWSA-N 1 0 384.933 1.162 20 0 GDADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C3)cs1 ZINC000419876115 645933063 /nfs/dbraw/zinc/93/30/63/645933063.db2.gz HPCORHFIVRLXQN-GFCCVEGCSA-N 1 0 376.507 1.543 20 0 GDADRO CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000420064448 645934767 /nfs/dbraw/zinc/93/47/67/645934767.db2.gz OTTWZYMSBUKQDR-KBPBESRZSA-N 1 0 396.285 1.585 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1)C1CC1 ZINC000420072618 645935350 /nfs/dbraw/zinc/93/53/50/645935350.db2.gz ZDGNSOPNQDBYPW-KBPBESRZSA-N 1 0 381.274 1.361 20 0 GDADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420194784 645939213 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GDADRO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422963458 646103801 /nfs/dbraw/zinc/10/38/01/646103801.db2.gz ISNIIJMLDULERG-LBPRGKRZSA-N 1 0 384.263 1.898 20 0 GDADRO O=S(=O)(C[C@H](O)CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccs1 ZINC000423003257 646108152 /nfs/dbraw/zinc/10/81/52/646108152.db2.gz LHFJLHCIFBTMGI-GVDBMIGSSA-N 1 0 380.535 1.966 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2OC)C1 ZINC000423008045 646108164 /nfs/dbraw/zinc/10/81/64/646108164.db2.gz ZESVKAADYFQPPI-CQSZACIVSA-N 1 0 398.301 1.627 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423021710 646109363 /nfs/dbraw/zinc/10/93/63/646109363.db2.gz GEGMVTDFVPRHHA-SNVBAGLBSA-N 1 0 390.303 1.045 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000423025258 646109582 /nfs/dbraw/zinc/10/95/82/646109582.db2.gz NUQFPAJAOMDRJP-MNOVXSKESA-N 1 0 388.331 1.912 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000423021873 646109663 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C[NH+](C)[C@@]1(CNC(=O)N2CCN(CC(F)(F)C(F)F)CC2)CCSC1 ZINC000481778299 647885387 /nfs/dbraw/zinc/88/53/87/647885387.db2.gz IGKYKWDPVNLLNI-CQSZACIVSA-N 1 0 386.459 1.651 20 0 GDADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000482654067 647896883 /nfs/dbraw/zinc/89/68/83/647896883.db2.gz IGEDUALGUUWUHI-ZDUSSCGKSA-N 1 0 392.543 1.421 20 0 GDADRO CN(CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)c1ccc(Br)o1 ZINC000484941462 647920873 /nfs/dbraw/zinc/92/08/73/647920873.db2.gz AGBNAEMKCAGTCP-NWDGAFQWSA-N 1 0 384.274 1.857 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000494006381 648002591 /nfs/dbraw/zinc/00/25/91/648002591.db2.gz ILAYMHXPNWUNAE-OAHLLOKOSA-N 1 0 391.603 1.382 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000495181061 648010884 /nfs/dbraw/zinc/01/08/84/648010884.db2.gz PEBQDSCHMYRGSX-UHFFFAOYSA-N 1 0 381.479 1.520 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000495576103 648013843 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GDADRO CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000572500446 651098831 /nfs/dbraw/zinc/09/88/31/651098831.db2.gz SIPGMPIBPYGMDO-OCCSQVGLSA-N 1 0 387.889 1.188 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000572640839 651101028 /nfs/dbraw/zinc/10/10/28/651101028.db2.gz IPZKNEVMWRXZIQ-CKYFFXLPSA-N 1 0 394.269 1.690 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)s1 ZINC000572658731 651101651 /nfs/dbraw/zinc/10/16/51/651101651.db2.gz JYIMBUCHPKOIOJ-KGLIPLIRSA-N 1 0 387.571 1.953 20 0 GDADRO C[C@@H](CN1CCCC1=O)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000572704283 651102740 /nfs/dbraw/zinc/10/27/40/651102740.db2.gz FSJBQBPFVDPFTI-FZMZJTMJSA-N 1 0 389.265 1.928 20 0 GDADRO CSCC1CCC([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000573058629 651466481 /nfs/dbraw/zinc/46/64/81/651466481.db2.gz DNCQSFPBYZKLRO-UHFFFAOYSA-N 1 0 391.603 1.539 20 0 GDADRO C[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000573111099 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GDADRO COC(=O)c1cn(CC[NH2+]CCC(=O)Nc2cccc(Br)c2)nn1 ZINC000574805846 651570272 /nfs/dbraw/zinc/57/02/72/651570272.db2.gz MWCUKKBZRZRZCF-UHFFFAOYSA-N 1 0 396.245 1.446 20 0 GDADRO Cc1nc(NCC2([S@](C)=O)CCC2)cc(NCC2([S@@](C)=O)CCC2)[nH+]1 ZINC000574830488 651572881 /nfs/dbraw/zinc/57/28/81/651572881.db2.gz JGZDSSMHFUFQLF-PLQXJYEYSA-N 1 0 384.571 2.211 20 0 GDADRO C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)[C@H](C)[NH3+] ZINC000575045257 651578929 /nfs/dbraw/zinc/57/89/29/651578929.db2.gz ZKWAKDLMTHIUOA-WDEREUQCSA-N 1 0 375.441 1.217 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000575046626 651578960 /nfs/dbraw/zinc/57/89/60/651578960.db2.gz XIJGKLODDGKSBO-SRVKXCTJSA-N 1 0 386.290 1.575 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)C[C@H]21 ZINC000575058151 651580101 /nfs/dbraw/zinc/58/01/01/651580101.db2.gz FCKYUDLSKYQSGP-NWANDNLSSA-N 1 0 380.286 1.765 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)SCC1CC[NH2+]CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000575398296 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CC(C)C[C@@H]([NH3+])c1noc(-c2sccc2S(=O)(=O)N2CCOCC2)n1 ZINC000578069653 651770907 /nfs/dbraw/zinc/77/09/07/651770907.db2.gz OWBWCRKRUAGOPE-LLVKDONJSA-N 1 0 386.499 1.865 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000578162571 651777852 /nfs/dbraw/zinc/77/78/52/651777852.db2.gz NMWVTNYRTJVCRR-UHFFFAOYSA-N 1 0 394.313 1.888 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2cnc3ccc(Br)cc3c2O)C[C@@H]1O ZINC000578213273 651781010 /nfs/dbraw/zinc/78/10/10/651781010.db2.gz HUYROMRUNRZNKG-KBPBESRZSA-N 1 0 380.242 1.038 20 0 GDADRO OCCOC1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCOCC1 ZINC000578359043 651792600 /nfs/dbraw/zinc/79/26/00/651792600.db2.gz QHMJTPSUNXDVHA-CQSZACIVSA-N 1 0 394.295 1.881 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCc1ccc(F)c(Br)c1 ZINC000578527659 651797655 /nfs/dbraw/zinc/79/76/55/651797655.db2.gz NHBYOTDAEWJPDX-CQSZACIVSA-N 1 0 386.265 1.505 20 0 GDADRO Cn1cc([C@@H]2CN(CC(=O)Nc3ccc(Br)cc3F)C[C@H]2[NH3+])cn1 ZINC000578757809 651811658 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Cc1c(C(=O)N(C)CC2C[NH+](C)C2)nnn1-c1cccc(Br)c1 ZINC000618194578 652980344 /nfs/dbraw/zinc/98/03/44/652980344.db2.gz DKOCXPIBLWQKHG-UHFFFAOYSA-N 1 0 378.274 1.972 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000618197602 652980472 /nfs/dbraw/zinc/98/04/72/652980472.db2.gz RFMQPGYVXXDNMH-UHFFFAOYSA-N 1 0 394.324 1.682 20 0 GDADRO O=C(CCn1cc(Br)cn1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000618373093 652982091 /nfs/dbraw/zinc/98/20/91/652982091.db2.gz AANWXUUOAKTDIP-OAHLLOKOSA-N 1 0 385.306 1.749 20 0 GDADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620485965 652991547 /nfs/dbraw/zinc/99/15/47/652991547.db2.gz YOKIKZWZTGZYND-CYBMUJFWSA-N 1 0 393.285 1.997 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)c[nH]c3=O)cn2)CC1 ZINC000621372249 652997749 /nfs/dbraw/zinc/99/77/49/652997749.db2.gz RWXRUOWCXHTHCA-UHFFFAOYSA-N 1 0 392.257 1.949 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC000621652648 652998350 /nfs/dbraw/zinc/99/83/50/652998350.db2.gz 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SPVOZKFOQIACCA-MSRIBSCDSA-N 1 0 386.315 1.601 20 0 GDADRO C[C@H](CC(=O)N1CCC([NH+]2CCOCC2)CC1)n1cc(Br)cn1 ZINC000628121525 653090836 /nfs/dbraw/zinc/09/08/36/653090836.db2.gz KJSGKKZWNHODOG-CYBMUJFWSA-N 1 0 385.306 1.920 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC000629353756 653160869 /nfs/dbraw/zinc/16/08/69/653160869.db2.gz QLHRAAPRZPWHGX-YABSGUDNSA-N 1 0 375.288 1.638 20 0 GDADRO [NH3+]C1(CNCc2ccc(Br)cc2N2CCOCC2)CCOCC1 ZINC000629654602 653180703 /nfs/dbraw/zinc/18/07/03/653180703.db2.gz NEDSEZKOTCQLDJ-UHFFFAOYSA-N 1 0 384.318 1.883 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000629791956 653182507 /nfs/dbraw/zinc/18/25/07/653182507.db2.gz UPZCUOPORSYZFQ-UHFFFAOYSA-N 1 0 376.284 1.646 20 0 GDADRO Cc1ncsc1CN(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629796423 653182912 /nfs/dbraw/zinc/18/29/12/653182912.db2.gz QMVZHURONPGKKV-MNOVXSKESA-N 1 0 378.420 1.396 20 0 GDADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000629812759 653183905 /nfs/dbraw/zinc/18/39/05/653183905.db2.gz SQRIPBSTWBXLSK-HNNXBMFYSA-N 1 0 382.302 1.864 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1c(O)cnc2c(Br)cccc21 ZINC000629916671 653193122 /nfs/dbraw/zinc/19/31/22/653193122.db2.gz CXJZXJIRFKTTNY-JTQLQIEISA-N 1 0 380.242 1.499 20 0 GDADRO C[NH2+]C1(CNC(=O)c2sccc2S(=O)(=O)NCc2ccco2)CCC1 ZINC000630000855 653195637 /nfs/dbraw/zinc/19/56/37/653195637.db2.gz SLQCQIVSNNUZAN-UHFFFAOYSA-N 1 0 383.495 1.692 20 0 GDADRO O=C1C(=O)N(Cc2cn(C3CC[NH2+]CC3)nn2)c2ccc(Br)cc21 ZINC000630590985 653217875 /nfs/dbraw/zinc/21/78/75/653217875.db2.gz ALFNWXZJYHLWOU-UHFFFAOYSA-N 1 0 390.241 1.695 20 0 GDADRO C[NH+]1CCN(CCNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000630623070 653218790 /nfs/dbraw/zinc/21/87/90/653218790.db2.gz XOWPYIYSAPEZRR-IXDOHACOSA-N 1 0 378.314 1.698 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2c(F)cncc2Br)CC1 ZINC000630923853 653226779 /nfs/dbraw/zinc/22/67/79/653226779.db2.gz YVFRIZQCJQCWMN-UHFFFAOYSA-N 1 0 399.264 1.363 20 0 GDADRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000631229343 653231891 /nfs/dbraw/zinc/23/18/91/653231891.db2.gz KJDJGUKHGPEPRX-UHFFFAOYSA-N 1 0 376.404 1.920 20 0 GDADRO CNS(=O)(=O)CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000631229548 653231921 /nfs/dbraw/zinc/23/19/21/653231921.db2.gz MTZVPGOOAWIRTK-UHFFFAOYSA-N 1 0 379.276 1.249 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000631279293 653233424 /nfs/dbraw/zinc/23/34/24/653233424.db2.gz CKPZJRPCBANENH-UHFFFAOYSA-N 1 0 392.301 1.760 20 0 GDADRO O=C1C[C@H](S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CN1C1CC1 ZINC000631659830 653242740 /nfs/dbraw/zinc/24/27/40/653242740.db2.gz MYROLYIUXOQGIW-GJZGRUSLSA-N 1 0 383.539 1.568 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000631709471 653245491 /nfs/dbraw/zinc/24/54/91/653245491.db2.gz LULQEPNZCSRQJK-DLBZAZTESA-N 1 0 388.555 1.609 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000631905462 653265903 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Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C3)cs1 ZINC000631929198 653273283 /nfs/dbraw/zinc/27/32/83/653273283.db2.gz YQJHPNVSJCNNIL-CYBMUJFWSA-N 1 0 399.563 1.856 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631954384 653279089 /nfs/dbraw/zinc/27/90/89/653279089.db2.gz KGZQXKZITIQZDJ-UHFFFAOYSA-N 1 0 376.347 1.855 20 0 GDADRO CCO[C@@H](CCNS(=O)(=O)CCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000632062440 653298506 /nfs/dbraw/zinc/29/85/06/653298506.db2.gz XWVVLABEFUJUSQ-SFHVURJKSA-N 1 0 375.579 1.529 20 0 GDADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000632369314 653347372 /nfs/dbraw/zinc/34/73/72/653347372.db2.gz OAGZFLIEGKPMEY-RNCFNFMXSA-N 1 0 390.303 1.261 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H]([NH+](C)C)[C@@H]3C)c(Cl)cc21 ZINC000632367261 653347460 /nfs/dbraw/zinc/34/74/60/653347460.db2.gz KGGFBDVDHCYODN-XHDPSFHLSA-N 1 0 385.917 1.962 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NCC(=O)c1ccc(Br)c(F)c1 ZINC000632605206 653384027 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20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C[C@H]1C[NH3+] ZINC000633083747 653425978 /nfs/dbraw/zinc/42/59/78/653425978.db2.gz IAQIODLOJXUURX-DGCLKSJQSA-N 1 0 380.286 1.387 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633098587 653427049 /nfs/dbraw/zinc/42/70/49/653427049.db2.gz NYHZNCYXMFFWOY-TZMCWYRMSA-N 1 0 382.302 1.769 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000633342586 653438943 /nfs/dbraw/zinc/43/89/43/653438943.db2.gz JWXIJXVETVKRNZ-GVDBMIGSSA-N 1 0 379.298 1.908 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633480867 653451165 /nfs/dbraw/zinc/45/11/65/653451165.db2.gz PTNBSBSFZGKNBF-CYBMUJFWSA-N 1 0 395.301 1.912 20 0 GDADRO OCCOC1(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000634721263 653497295 /nfs/dbraw/zinc/49/72/95/653497295.db2.gz WAGCLCQDYVFAQM-HNNXBMFYSA-N 1 0 394.295 1.881 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000634749610 653497981 /nfs/dbraw/zinc/49/79/81/653497981.db2.gz ALUHLQBHEOGZAT-HNNXBMFYSA-N 1 0 378.441 1.672 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634754684 653498200 /nfs/dbraw/zinc/49/82/00/653498200.db2.gz HWPBVYATCFXVSJ-OCCSQVGLSA-N 1 0 387.933 1.901 20 0 GDADRO O=C(CNC(=O)C(=O)Nc1cscc1Cl)NCC[NH+]1CCCCCC1 ZINC000635177768 653508019 /nfs/dbraw/zinc/50/80/19/653508019.db2.gz UJWIJJVLRAKYFD-UHFFFAOYSA-N 1 0 386.905 1.448 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)C1 ZINC000635634708 653521074 /nfs/dbraw/zinc/52/10/74/653521074.db2.gz CJNQCSWVDOIAGE-IHRRRGAJSA-N 1 0 382.448 1.400 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000636465557 653523467 /nfs/dbraw/zinc/52/34/67/653523467.db2.gz DKTQFEQWSBHWQO-UHFFFAOYSA-N 1 0 399.289 1.069 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc(Br)c(F)c1F ZINC000637422700 653528068 /nfs/dbraw/zinc/52/80/68/653528068.db2.gz HPXSEQDAPCSICQ-AWEZNQCLSA-N 1 0 380.233 1.839 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000637649524 653530631 /nfs/dbraw/zinc/53/06/31/653530631.db2.gz BPGBCVANBYKVQR-HWMZRRJGSA-N 1 0 380.286 1.453 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000637921482 653532279 /nfs/dbraw/zinc/53/22/79/653532279.db2.gz DBQPZCVKHFEYTG-STQMWFEESA-N 1 0 379.404 1.245 20 0 GDADRO [NH3+]Cc1ncc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cn1 ZINC000637960656 653533225 /nfs/dbraw/zinc/53/32/25/653533225.db2.gz SGEGIJGMTUDXMS-AWEZNQCLSA-N 1 0 377.242 1.912 20 0 GDADRO C[C@]1(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C[NH2+]CCO1 ZINC000637971416 653533811 /nfs/dbraw/zinc/53/38/11/653533811.db2.gz VCACIYMPTLOVLU-MRXNPFEDSA-N 1 0 384.274 1.064 20 0 GDADRO COC[C@@]1(C(=O)N2CCC(n3cc(Br)cn3)CC2)CCCC[NH2+]1 ZINC000637990590 653534211 /nfs/dbraw/zinc/53/42/11/653534211.db2.gz IFJBQOVECMLWEO-MRXNPFEDSA-N 1 0 385.306 1.968 20 0 GDADRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000638322893 653538089 /nfs/dbraw/zinc/53/80/89/653538089.db2.gz AUWRCJOUSCOSKM-WBMJQRKESA-N 1 0 395.257 1.882 20 0 GDADRO CN(CCC[NH2+]Cc1nc2cc(Br)ccc2o1)S(C)(=O)=O ZINC000638359328 653538862 /nfs/dbraw/zinc/53/88/62/653538862.db2.gz JWATZYAQCCQPAZ-UHFFFAOYSA-N 1 0 376.276 1.961 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638549287 653539543 /nfs/dbraw/zinc/53/95/43/653539543.db2.gz HEXICDQRRWQOKZ-AXFHLTTASA-N 1 0 399.460 1.401 20 0 GDADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000638553617 653539725 /nfs/dbraw/zinc/53/97/25/653539725.db2.gz SSQOSEJIOOKZNM-AVGNSLFASA-N 1 0 385.452 1.034 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000638560587 653540037 /nfs/dbraw/zinc/54/00/37/653540037.db2.gz XAEGORWNDJZEDJ-MXWKQRLJSA-N 1 0 377.329 1.235 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000638591167 653540898 /nfs/dbraw/zinc/54/08/98/653540898.db2.gz CDJYMDBOJYSJTC-UHFFFAOYSA-N 1 0 386.246 1.088 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000638643280 653541561 /nfs/dbraw/zinc/54/15/61/653541561.db2.gz JHPHBWJBSWOYKL-UWVGGRQHSA-N 1 0 380.297 1.528 20 0 GDADRO CC[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)C(=O)N1CCOCC1 ZINC000638722283 653542562 /nfs/dbraw/zinc/54/25/62/653542562.db2.gz QEMJNPWWYYSDTL-ZDUSSCGKSA-N 1 0 382.262 1.219 20 0 GDADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000638772552 653543184 /nfs/dbraw/zinc/54/31/84/653543184.db2.gz UGEWHBITGWYTBO-MNOVXSKESA-N 1 0 379.935 1.717 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2cc(F)cc(Br)c2C1 ZINC000638773894 653543392 /nfs/dbraw/zinc/54/33/92/653543392.db2.gz SKWBFTHVQHRZMV-AWEZNQCLSA-N 1 0 384.249 1.341 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000638824924 653544104 /nfs/dbraw/zinc/54/41/04/653544104.db2.gz KDTZCBGWPCAAMX-INIZCTEOSA-N 1 0 394.313 1.901 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639086972 653546073 /nfs/dbraw/zinc/54/60/73/653546073.db2.gz BNWKTCSIJLVZHI-GJZGRUSLSA-N 1 0 390.347 1.723 20 0 GDADRO NS(=O)(=O)c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000639120926 653546856 /nfs/dbraw/zinc/54/68/56/653546856.db2.gz VZGSGNDANSAIJE-IYBDPMFKSA-N 1 0 377.535 1.959 20 0 GDADRO COc1nsc(CN(C)CCC[NH+]2CCN(C)CC2)c1Br ZINC000639171362 653547876 /nfs/dbraw/zinc/54/78/76/653547876.db2.gz AYAUZEKHQYGBDQ-UHFFFAOYSA-N 1 0 377.352 1.984 20 0 GDADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCO1 ZINC000639245509 653548288 /nfs/dbraw/zinc/54/82/88/653548288.db2.gz LDZLTDVWVOAOCB-WFASDCNBSA-N 1 0 384.889 1.731 20 0 GDADRO CO[C@H](C[NH2+]CCNC(=O)c1ccc(Br)cn1)C1CCOCC1 ZINC000639304986 653549430 /nfs/dbraw/zinc/54/94/30/653549430.db2.gz HAQZYKFZCGCODY-OAHLLOKOSA-N 1 0 386.290 1.605 20 0 GDADRO Cc1nn(C)c(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1Br ZINC000640171467 653556800 /nfs/dbraw/zinc/55/68/00/653556800.db2.gz VTXFXCNLEKASPA-GFCCVEGCSA-N 1 0 386.294 1.866 20 0 GDADRO [NH3+][C@H](CO)Cc1cn(Cc2csc(COc3ccc(Cl)cc3)n2)nn1 ZINC000640961317 653561317 /nfs/dbraw/zinc/56/13/17/653561317.db2.gz YTVKUOWMYBAYDW-LBPRGKRZSA-N 1 0 379.873 1.877 20 0 GDADRO CN(CC1CC1)C(=O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640983545 653561781 /nfs/dbraw/zinc/56/17/81/653561781.db2.gz WEILLUBLGXOPIT-MRXNPFEDSA-N 1 0 378.274 1.957 20 0 GDADRO CN1CC[NH+](CC2(C)CCN(S(=O)(=O)C[C@]3(C)CC3(F)F)CC2)CC1 ZINC000641422458 653567051 /nfs/dbraw/zinc/56/70/51/653567051.db2.gz YDWJDVQLIPAILD-INIZCTEOSA-N 1 0 379.517 1.711 20 0 GDADRO COCCCNS(=O)(=O)c1ccccc1NC[C@@]1([NH+](C)C)CCSC1 ZINC000641434418 653567779 /nfs/dbraw/zinc/56/77/79/653567779.db2.gz ACPLVOYICRVNPQ-KRWDZBQOSA-N 1 0 387.571 1.851 20 0 GDADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641444402 653568285 /nfs/dbraw/zinc/56/82/85/653568285.db2.gz QKPRIQAYPUNQEZ-JTQLQIEISA-N 1 0 390.307 1.500 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642105614 653577065 /nfs/dbraw/zinc/57/70/65/653577065.db2.gz TWLQJEXCQNODAU-XUJVJEKNSA-N 1 0 398.301 1.071 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)Oc1cccc(Br)c1 ZINC000642777856 653579199 /nfs/dbraw/zinc/57/91/99/653579199.db2.gz QMCZIMCJAPAMPH-JSGCOSHPSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)Oc1ccccc1Br ZINC000642777882 653579266 /nfs/dbraw/zinc/57/92/66/653579266.db2.gz VWTQGUPUKCLGEP-CHWSQXEVSA-N 1 0 398.301 1.591 20 0 GDADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642909094 653579642 /nfs/dbraw/zinc/57/96/42/653579642.db2.gz GOWDUWUTGYKHLH-GXFFZTMASA-N 1 0 384.274 1.585 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643491148 653583128 /nfs/dbraw/zinc/58/31/28/653583128.db2.gz KPISXCWUYXDMAT-GXFFZTMASA-N 1 0 386.315 1.679 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643542852 653583483 /nfs/dbraw/zinc/58/34/83/653583483.db2.gz POQBDZQIARKMHD-DOMZBBRYSA-N 1 0 398.276 1.757 20 0 GDADRO C[C@H]1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000643604079 653583717 /nfs/dbraw/zinc/58/37/17/653583717.db2.gz CVNPNFMZAVFSPL-RYUDHWBXSA-N 1 0 389.315 1.666 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000643726018 653587281 /nfs/dbraw/zinc/58/72/81/653587281.db2.gz HBCQKTFCAIVQND-WFASDCNBSA-N 1 0 382.302 1.836 20 0 GDADRO CN(CC(=O)Nc1cnc2c(c1)C[NH2+]CC2)C(=O)c1ccc(Br)o1 ZINC000644102119 653595543 /nfs/dbraw/zinc/59/55/43/653595543.db2.gz WPWXVWYXKCSRKJ-UHFFFAOYSA-N 1 0 393.241 1.794 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC000644128286 653595932 /nfs/dbraw/zinc/59/59/32/653595932.db2.gz FGMYYZOYCDMCFT-UHFFFAOYSA-N 1 0 387.933 1.775 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)CC2=O)ccc1Br ZINC000644141637 653596002 /nfs/dbraw/zinc/59/60/02/653596002.db2.gz ZFMCHBILORIJLT-AGIUHOORSA-N 1 0 398.276 1.927 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)C[C@@H]3COCC[NH2+]3)C2=O)ccc1Br ZINC000644153459 653596048 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1.297 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000653072804 653905044 /nfs/dbraw/zinc/90/50/44/653905044.db2.gz GHZJKCXBODBKPQ-AWEZNQCLSA-N 1 0 380.290 1.911 20 0 GDADRO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1cc2c(cc1Br)OCCO2 ZINC000653074703 653905309 /nfs/dbraw/zinc/90/53/09/653905309.db2.gz RXBLZYWQWZUWJO-RLFDGXBXSA-N 1 0 397.269 1.634 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)NCCC1CC[NH2+]CC1 ZINC000653270031 653909552 /nfs/dbraw/zinc/90/95/52/653909552.db2.gz AVOPZYSQUCZJLI-UHFFFAOYSA-N 1 0 389.315 1.729 20 0 GDADRO O[C@@H]1C[C@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)CC[N@@H+]2C1 ZINC000653826013 653923569 /nfs/dbraw/zinc/92/35/69/653923569.db2.gz RIDOTZZVLUFTBY-WDEREUQCSA-N 1 0 385.287 1.811 20 0 GDADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654559434 653941079 /nfs/dbraw/zinc/94/10/79/653941079.db2.gz YSUQRFDCBJWVHM-XHSDSOJGSA-N 1 0 395.301 1.756 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)CC1CCN(S(C)(=O)=O)CC1)CC(C)C ZINC000654778411 653945329 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/nfs/dbraw/zinc/00/77/22/654007722.db2.gz FHBWRPYCEURXKV-CYBMUJFWSA-N 1 0 399.337 1.104 20 0 GDADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)C1 ZINC000656898239 654067438 /nfs/dbraw/zinc/06/74/38/654067438.db2.gz LLODAJIHRYWBFO-ZACQAIPSSA-N 1 0 376.563 1.858 20 0 GDADRO CO[C@@H](CS(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000656960976 654078474 /nfs/dbraw/zinc/07/84/74/654078474.db2.gz CMEZAQUSIRZMIR-WMZOPIPTSA-N 1 0 375.579 1.527 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NC3CCC([NH+](C)C)CC3)cc2C1 ZINC000657016890 654098391 /nfs/dbraw/zinc/09/83/91/654098391.db2.gz IWZPKYNJYFULHK-UHFFFAOYSA-N 1 0 385.555 1.804 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(Br)cc1F ZINC000657091135 654108187 /nfs/dbraw/zinc/10/81/87/654108187.db2.gz JLTJVXALTWFRSQ-UHFFFAOYSA-N 1 0 396.326 1.750 20 0 GDADRO NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000657161674 654135485 /nfs/dbraw/zinc/13/54/85/654135485.db2.gz PXLBQHJRAHLUOF-CYBMUJFWSA-N 1 0 387.527 1.019 20 0 GDADRO NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000657162419 654136080 /nfs/dbraw/zinc/13/60/80/654136080.db2.gz UVGZXJCLLGYFTL-ZDUSSCGKSA-N 1 0 387.527 1.019 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CC2CCC(O)CC2)cc1Br ZINC000657740785 654160780 /nfs/dbraw/zinc/16/07/80/654160780.db2.gz KZNSCRMJSBXBNY-UHFFFAOYSA-N 1 0 377.304 1.737 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(Br)c2F)n1 ZINC000657936479 654172271 /nfs/dbraw/zinc/17/22/71/654172271.db2.gz LWGYSCBRJKXXRO-UHFFFAOYSA-N 1 0 398.236 1.924 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000658334000 654185453 /nfs/dbraw/zinc/18/54/53/654185453.db2.gz ZIAYYSCQVBZAAU-ZDUSSCGKSA-N 1 0 399.333 1.776 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000658366953 654185904 /nfs/dbraw/zinc/18/59/04/654185904.db2.gz SWNUUUZLLYEMCC-UHFFFAOYSA-N 1 0 381.420 1.252 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)[C@@H]1CCC[NH3+] ZINC000658400067 654189794 /nfs/dbraw/zinc/18/97/94/654189794.db2.gz JTCPOCPQVNUPSW-CZUORRHYSA-N 1 0 386.539 1.545 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)s1 ZINC000658404467 654190125 /nfs/dbraw/zinc/19/01/25/654190125.db2.gz SOUZFFVAUBATMA-UHFFFAOYSA-N 1 0 385.555 1.483 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000658407540 654190733 /nfs/dbraw/zinc/19/07/33/654190733.db2.gz VCGFEVYMCBFUIA-CYBMUJFWSA-N 1 0 391.921 1.702 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000658407929 654191104 /nfs/dbraw/zinc/19/11/04/654191104.db2.gz RKZRXGWKRGJYIE-GHMZBOCLSA-N 1 0 381.267 1.908 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000659112992 654215188 /nfs/dbraw/zinc/21/51/88/654215188.db2.gz BSCWBHIVBCOXRA-SSDOTTSWSA-N 1 0 393.079 1.874 20 0 GDADRO CCS(=O)(=O)N(C)c1ccc(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000659024257 654213911 /nfs/dbraw/zinc/21/39/11/654213911.db2.gz YZAVTHISIVCUGF-GFCCVEGCSA-N 1 0 382.408 1.874 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659508813 654227737 /nfs/dbraw/zinc/22/77/37/654227737.db2.gz YUVQXMPSFBIQGH-MRXNPFEDSA-N 1 0 397.317 1.437 20 0 GDADRO COCc1csc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000659540517 654228846 /nfs/dbraw/zinc/22/88/46/654228846.db2.gz URIWLEDPULXTKS-CYBMUJFWSA-N 1 0 380.436 1.530 20 0 GDADRO Cc1cc(Br)c(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)s1 ZINC000659602922 654229900 /nfs/dbraw/zinc/22/99/00/654229900.db2.gz NQAVOKHIFYRQLX-UHFFFAOYSA-N 1 0 386.275 1.773 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C2 ZINC000659628623 654230468 /nfs/dbraw/zinc/23/04/68/654230468.db2.gz HSWQZVSSEDIXKV-UHFFFAOYSA-N 1 0 392.257 1.937 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CCO1 ZINC000660155076 654241828 /nfs/dbraw/zinc/24/18/28/654241828.db2.gz FKRMUMDIGWWMCI-GFCCVEGCSA-N 1 0 384.424 1.177 20 0 GDADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn(CC(F)(F)F)c1 ZINC000660177875 654244935 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C[C@@]1(NS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC[NH2+]C1 ZINC000663312349 654332943 /nfs/dbraw/zinc/33/29/43/654332943.db2.gz BRHXPWIMDLWLJX-CQSZACIVSA-N 1 0 388.287 1.364 20 0 GDADRO COc1ncc(Br)cc1CN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000663380714 654335960 /nfs/dbraw/zinc/33/59/60/654335960.db2.gz WESZJPMMCCBJHE-MEDUHNTESA-N 1 0 397.273 1.792 20 0 GDADRO NS(=O)(=O)c1ccc(NCCC[NH+]2CCC(O)CC2)cc1C(F)(F)F ZINC000663402153 654337010 /nfs/dbraw/zinc/33/70/10/654337010.db2.gz IGWDVOISFAPMJU-UHFFFAOYSA-N 1 0 381.420 1.612 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2nc(C)nc(C)c2Br)CC1 ZINC000663542024 654341264 /nfs/dbraw/zinc/34/12/64/654341264.db2.gz FGVJAJHBEXECHC-UHFFFAOYSA-N 1 0 384.322 1.846 20 0 GDADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3cc(Br)cnn3)C[C@@H]2C)CC1 ZINC000663721531 654350062 /nfs/dbraw/zinc/35/00/62/654350062.db2.gz UTQHWDIVIHKQCE-SWLSCSKDSA-N 1 0 382.306 1.618 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCC[C@H](C)[NH+](C)C)c(C)s1 ZINC000664496734 654382678 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CCOc1c(Cl)cccc1C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000683768270 654784965 /nfs/dbraw/zinc/78/49/65/654784965.db2.gz PBGFGHVLHHQQSL-UHFFFAOYSA-N 1 0 375.922 1.406 20 0 GDADRO C[NH+]1CCN(c2ccccc2NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000747598240 654787467 /nfs/dbraw/zinc/78/74/67/654787467.db2.gz JSFFHFSQXGQHJS-CQSZACIVSA-N 1 0 383.539 1.297 20 0 GDADRO C[C@H](NC(=O)c1ccc(-n2cc(Br)cn2)nn1)C1=CC[N@H+](C)CC1 ZINC000781190677 654801664 /nfs/dbraw/zinc/80/16/64/654801664.db2.gz WNPGRFMHKNXBPM-NSHDSACASA-N 1 0 391.273 1.805 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000748271957 654802219 /nfs/dbraw/zinc/80/22/19/654802219.db2.gz IUICWOVEVLWWGX-LBPRGKRZSA-N 1 0 395.305 1.817 20 0 GDADRO CNS(=O)(=O)Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000684614248 654802663 /nfs/dbraw/zinc/80/26/63/654802663.db2.gz AFQPSPFDTSCXAP-UHFFFAOYSA-N 1 0 382.507 1.299 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CCSC1 ZINC000748436182 654805713 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375.535 1.838 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)C[C@H]1CC[NH3+] ZINC000723894140 654840643 /nfs/dbraw/zinc/84/06/43/654840643.db2.gz CMJCNGQWYINOQH-GHMZBOCLSA-N 1 0 394.278 1.897 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000749849534 654842559 /nfs/dbraw/zinc/84/25/59/654842559.db2.gz DIASNEJMKRPVQZ-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO CCn1cc(NC(=S)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000726124268 654848483 /nfs/dbraw/zinc/84/84/83/654848483.db2.gz HTXKWXBWLOYNJP-HNNXBMFYSA-N 1 0 387.575 1.431 20 0 GDADRO C[NH+](C)C1(CNC(=S)NCc2ccc(S(N)(=O)=O)cc2)CCCCC1 ZINC000726439467 654852299 /nfs/dbraw/zinc/85/22/99/654852299.db2.gz AADLTANDECVPPW-UHFFFAOYSA-N 1 0 384.571 1.563 20 0 GDADRO C[C@H](CNC(=S)NCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000726460735 654853467 /nfs/dbraw/zinc/85/34/67/654853467.db2.gz LPLVJQBRJQWZCR-ZIAGYGMSSA-N 1 0 384.571 1.419 20 0 GDADRO C[C@@H](CNC(=S)NCc1ccc(S(N)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000726472311 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GDADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)n1 ZINC000784463588 654888843 /nfs/dbraw/zinc/88/88/43/654888843.db2.gz BIZRCKJPXNVHFF-GFCCVEGCSA-N 1 0 381.274 1.786 20 0 GDADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C2CC(NS(C)(=O)=O)C2)s1 ZINC000800890727 654898776 /nfs/dbraw/zinc/89/87/76/654898776.db2.gz OVORLQKWTMDNPA-UHFFFAOYSA-N 1 0 376.504 1.660 20 0 GDADRO Cc1c(Br)cc(F)cc1C(=O)NCC[N@@H+](C)CCOCCO ZINC000829444827 654899367 /nfs/dbraw/zinc/89/93/67/654899367.db2.gz MZDLYPKQKRBHJW-UHFFFAOYSA-N 1 0 377.254 1.567 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1CCCS(N)(=O)=O ZINC000729474603 654910211 /nfs/dbraw/zinc/91/02/11/654910211.db2.gz HIRICVXSZOPDRG-GJZGRUSLSA-N 1 0 375.535 1.919 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785418028 654916990 /nfs/dbraw/zinc/91/69/90/654916990.db2.gz OSKUSONLRGOUBA-UHFFFAOYSA-N 1 0 379.324 1.476 20 0 GDADRO CS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000830025379 654926071 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377.551 1.941 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000786972024 654956043 /nfs/dbraw/zinc/95/60/43/654956043.db2.gz IVSIBQGHBGUPFY-UHFFFAOYSA-N 1 0 377.551 1.989 20 0 GDADRO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1C[C@H](O)C[NH+]1CCCC1 ZINC000830773250 654958171 /nfs/dbraw/zinc/95/81/71/654958171.db2.gz JTEOLLXDSVMLLG-PBHICJAKSA-N 1 0 397.313 1.806 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(Br)n(C)n2)CC1 ZINC000831025426 654966567 /nfs/dbraw/zinc/96/65/67/654966567.db2.gz YJQMZWBFYOKGEQ-UHFFFAOYSA-N 1 0 380.246 1.549 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)n1 ZINC000754413200 654971524 /nfs/dbraw/zinc/97/15/24/654971524.db2.gz WUWIUNBCDSTPLZ-UHFFFAOYSA-N 1 0 389.840 1.137 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000831169803 654975104 /nfs/dbraw/zinc/97/51/04/654975104.db2.gz JNYRPYWWACMHKF-HNNXBMFYSA-N 1 0 380.316 1.209 20 0 GDADRO C[NH+](C)CCCCCOC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000754685515 654977671 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CCO[C@@H](CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C[NH+](C)C ZINC000831767036 654996406 /nfs/dbraw/zinc/99/64/06/654996406.db2.gz ZQAJGUXZADIUOM-LBPRGKRZSA-N 1 0 382.404 1.677 20 0 GDADRO CCO[C@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)C[NH+](C)C ZINC000831775780 654996724 /nfs/dbraw/zinc/99/67/24/654996724.db2.gz BWOUAFCUHZSQTR-CQSZACIVSA-N 1 0 386.290 1.262 20 0 GDADRO Cc1n[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1Br ZINC000804643613 654998047 /nfs/dbraw/zinc/99/80/47/654998047.db2.gz BPANBRLJZLQDAR-YOGCLGLASA-N 1 0 398.305 1.294 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788635287 655000612 /nfs/dbraw/zinc/00/06/12/655000612.db2.gz RDOVAWOUSHXMKU-UHFFFAOYSA-N 1 0 398.934 1.743 20 0 GDADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000788642446 655001063 /nfs/dbraw/zinc/00/10/63/655001063.db2.gz ZKWBCJFBEYYOHY-STQMWFEESA-N 1 0 388.502 1.196 20 0 GDADRO O=C(NC[C@@H]1CSCCS1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000756055081 655008868 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1.970 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cccc(Br)n3)C2)C1 ZINC000815831748 655305743 /nfs/dbraw/zinc/30/57/43/655305743.db2.gz QXKGWBGWOAPEBM-INIZCTEOSA-N 1 0 381.274 1.727 20 0 GDADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000841134347 655310012 /nfs/dbraw/zinc/31/00/12/655310012.db2.gz VKKJSZNOSXTYFW-LBPRGKRZSA-N 1 0 389.905 1.885 20 0 GDADRO CCCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000841156870 655311002 /nfs/dbraw/zinc/31/10/02/655311002.db2.gz VBNBNGZRPGFOSP-NSHDSACASA-N 1 0 398.257 1.433 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841162231 655311376 /nfs/dbraw/zinc/31/13/76/655311376.db2.gz ZCJGJFGDTKUHAR-SSDOTTSWSA-N 1 0 395.179 1.622 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841181552 655312428 /nfs/dbraw/zinc/31/24/28/655312428.db2.gz IZBBUJRTGBDLGK-JTQLQIEISA-N 1 0 386.246 1.258 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841203281 655313801 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Cc1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)cnc1Br ZINC000841248716 655317244 /nfs/dbraw/zinc/31/72/44/655317244.db2.gz GIZYGNUGXIWQOP-UHFFFAOYSA-N 1 0 381.274 1.693 20 0 GDADRO CSc1nc2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)cc2s1 ZINC000841261441 655318077 /nfs/dbraw/zinc/31/80/77/655318077.db2.gz GVJXKUSLXUSCAX-LLVKDONJSA-N 1 0 380.495 1.451 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C[C@H]1C[NH3+] ZINC000841276656 655318550 /nfs/dbraw/zinc/31/85/50/655318550.db2.gz SBBTXGLMQLGYCX-RKDXNWHRSA-N 1 0 389.681 1.879 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2ccc(Cl)nc2Cl)(N2CCOCC2)CC1 ZINC000841302404 655318870 /nfs/dbraw/zinc/31/88/70/655318870.db2.gz PTZNYVDEPVBMQR-UHFFFAOYSA-N 1 0 387.311 1.915 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000841377187 655319941 /nfs/dbraw/zinc/31/99/41/655319941.db2.gz KZPCKQGRHCZXIL-UHFFFAOYSA-N 1 0 375.441 1.002 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816599877 655329831 /nfs/dbraw/zinc/32/98/31/655329831.db2.gz BUWJVLSXMRSPOW-KCQAQPDRSA-N 1 0 375.535 1.549 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000817290514 655349260 /nfs/dbraw/zinc/34/92/60/655349260.db2.gz DGCNOSKTZKLQDZ-ILXRZTDVSA-N 1 0 377.551 1.797 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C)c(Br)n2)CC[N@H+](C)C1 ZINC000841709249 655352515 /nfs/dbraw/zinc/35/25/15/655352515.db2.gz GBZIEZBJTXKBQK-NSHDSACASA-N 1 0 385.262 1.721 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000841858600 655354164 /nfs/dbraw/zinc/35/41/64/655354164.db2.gz SDDUFWSCJAESIZ-GFCCVEGCSA-N 1 0 388.456 1.315 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000842020572 655355399 /nfs/dbraw/zinc/35/53/99/655355399.db2.gz KOENYQKYHMGMIW-ZIAGYGMSSA-N 1 0 384.933 1.718 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@H]1CCC[N@@H+]1C)NS(=O)(=O)c1cccnc1Cl ZINC000817675749 655356635 /nfs/dbraw/zinc/35/66/35/655356635.db2.gz ATGFGWZASZMNRB-QWHCGFSZSA-N 1 0 388.921 1.345 20 0 GDADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000842182946 655357888 /nfs/dbraw/zinc/35/78/88/655357888.db2.gz JWSVRRDAICGNTR-MWNCTCPHSA-N 1 0 379.551 1.818 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)NC(=O)OC(C)(C)C ZINC000842207781 655358694 /nfs/dbraw/zinc/35/86/94/655358694.db2.gz QWGXXCGIZDJQJQ-JTQLQIEISA-N 1 0 377.894 1.990 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2F)C[C@H](C)[NH2+]1 ZINC000842217149 655359410 /nfs/dbraw/zinc/35/94/10/655359410.db2.gz SUWVMTWBPDSSQH-PHIMTYICSA-N 1 0 386.265 1.456 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000842253410 655360423 /nfs/dbraw/zinc/36/04/23/655360423.db2.gz TYAMBUGJHVTVFO-INIZCTEOSA-N 1 0 396.289 1.462 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000842253272 655360432 /nfs/dbraw/zinc/36/04/32/655360432.db2.gz KCTHJPSCZQEJCO-RISCZKNCSA-N 1 0 384.274 1.203 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000842258119 655360577 /nfs/dbraw/zinc/36/05/77/655360577.db2.gz NQGPUZSBISLOEM-CYBMUJFWSA-N 1 0 384.274 1.203 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000817989395 655363493 /nfs/dbraw/zinc/36/34/93/655363493.db2.gz NEAYNFYEERMFCB-DOMZBBRYSA-N 1 0 398.301 1.151 20 0 GDADRO [NH3+]CC[C@H](NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)C(F)(F)F ZINC000817994827 655364090 /nfs/dbraw/zinc/36/40/90/655364090.db2.gz LKHGQGMQGXYWLO-YKWSONSWSA-N 1 0 379.404 1.363 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000818006805 655364323 /nfs/dbraw/zinc/36/43/23/655364323.db2.gz LWAUWDGHQICNPU-LBPRGKRZSA-N 1 0 377.304 1.956 20 0 GDADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1 ZINC000842483495 655367667 /nfs/dbraw/zinc/36/76/67/655367667.db2.gz LGKNLNLCALKBHW-OAHLLOKOSA-N 1 0 392.543 1.152 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c(C)c1Cl ZINC000842485276 655368071 /nfs/dbraw/zinc/36/80/71/655368071.db2.gz HURMFRDNCRARGQ-VIFPVBQESA-N 1 0 382.891 1.235 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)/C=C/c2ccc(Br)cc2)CCCO1 ZINC000842485471 655368146 /nfs/dbraw/zinc/36/81/46/655368146.db2.gz UZOYAZYPWXBAON-VIIAAUOXSA-N 1 0 375.288 1.799 20 0 GDADRO O=S(=O)(c1ccc(Cc2nc([C@H]3CCC[NH2+]C3)no2)s1)N1CCCC1 ZINC000842660382 655370576 /nfs/dbraw/zinc/37/05/76/655370576.db2.gz HDDYMJKCHUPQDB-LBPRGKRZSA-N 1 0 382.511 1.973 20 0 GDADRO CN1CCN(C(=O)CC[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842676273 655370715 /nfs/dbraw/zinc/37/07/15/655370715.db2.gz OHKSKKGOMOTUCY-UHFFFAOYSA-N 1 0 375.698 1.751 20 0 GDADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Br)cc2F)C1 ZINC000842684167 655371163 /nfs/dbraw/zinc/37/11/63/655371163.db2.gz YAAGBWMAYYBTMX-QMMMGPOBSA-N 1 0 395.250 1.357 20 0 GDADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000842695841 655371560 /nfs/dbraw/zinc/37/15/60/655371560.db2.gz BLVGQTOTUMHFCE-SNVBAGLBSA-N 1 0 386.417 1.340 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)s1 ZINC000842698007 655371857 /nfs/dbraw/zinc/37/18/57/655371857.db2.gz VMTVRAOAWQYHAV-QMMMGPOBSA-N 1 0 397.316 1.718 20 0 GDADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842709589 655372609 /nfs/dbraw/zinc/37/26/09/655372609.db2.gz ANZGJDKPKYKERT-NSHDSACASA-N 1 0 382.454 1.446 20 0 GDADRO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NC(C)(C)C[NH3+])cc21 ZINC000842708608 655372708 /nfs/dbraw/zinc/37/27/08/655372708.db2.gz UVZDRPFEQVMJPL-UHFFFAOYSA-N 1 0 390.303 1.374 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)ccc1Br ZINC000842723922 655373632 /nfs/dbraw/zinc/37/36/32/655373632.db2.gz KOMZJUOLVHPLLZ-LBPRGKRZSA-N 1 0 379.276 1.497 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[NH2+]CC2(C)C)c1 ZINC000842728170 655374025 /nfs/dbraw/zinc/37/40/25/655374025.db2.gz CMXPHMRBOJDANV-UHFFFAOYSA-N 1 0 391.287 1.608 20 0 GDADRO [NH3+]C[C@H](NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21)C1CC1 ZINC000842728850 655374065 /nfs/dbraw/zinc/37/40/65/655374065.db2.gz IYBCQEWPCZKTLW-VIFPVBQESA-N 1 0 393.694 1.766 20 0 GDADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)CC[NH2+]CC2 ZINC000818429312 655374226 /nfs/dbraw/zinc/37/42/26/655374226.db2.gz CKFMIOUFNJGIGK-GFCCVEGCSA-N 1 0 390.502 1.382 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842740022 655374626 /nfs/dbraw/zinc/37/46/26/655374626.db2.gz LETCXLMISQLQGK-NSHDSACASA-N 1 0 384.470 1.677 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000842740532 655374636 /nfs/dbraw/zinc/37/46/36/655374636.db2.gz SNXRKFOZAUXFQC-ZDUSSCGKSA-N 1 0 382.935 1.737 20 0 GDADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000842780576 655376540 /nfs/dbraw/zinc/37/65/40/655376540.db2.gz STDJRBLEAFQTGH-KGLIPLIRSA-N 1 0 390.527 1.048 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842788250 655376977 /nfs/dbraw/zinc/37/69/77/655376977.db2.gz GHXIHFXXFYWENI-UWVGGRQHSA-N 1 0 386.417 1.338 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c1OC ZINC000842797563 655377874 /nfs/dbraw/zinc/37/78/74/655377874.db2.gz SBORJOMKEINGHX-UHFFFAOYSA-N 1 0 388.873 1.683 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OC)oc2Br)CC[C@H]1[NH3+] ZINC000842798592 655377887 /nfs/dbraw/zinc/37/78/87/655377887.db2.gz SBCLGXFDRNNDPD-RKDXNWHRSA-N 1 0 395.275 1.577 20 0 GDADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000842813823 655378798 /nfs/dbraw/zinc/37/87/98/655378798.db2.gz ZRAVPYDRIOSEBP-MRVPVSSYSA-N 1 0 397.266 1.651 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)ccc1Br ZINC000842834325 655380357 /nfs/dbraw/zinc/38/03/57/655380357.db2.gz RGVAYYRQOOVSKS-ZANVPECISA-N 1 0 391.287 1.512 20 0 GDADRO O=S(=O)(/C=C/c1ccccc1F)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000842851811 655380971 /nfs/dbraw/zinc/38/09/71/655380971.db2.gz IULKHJFNZLHIGL-SEIPJRMCSA-N 1 0 381.395 1.552 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc(F)c1F ZINC000842863822 655381509 /nfs/dbraw/zinc/38/15/09/655381509.db2.gz NFMKYBCITMTGIB-XYPYZODXSA-N 1 0 376.425 1.795 20 0 GDADRO CS(=O)(=O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000818963065 655382432 /nfs/dbraw/zinc/38/24/32/655382432.db2.gz FDQRJWVDVSSQSM-JTQLQIEISA-N 1 0 386.695 1.476 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000818971806 655382494 /nfs/dbraw/zinc/38/24/94/655382494.db2.gz AYKWOKJZJDPQMY-OAHLLOKOSA-N 1 0 396.340 1.194 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000818972262 655382510 /nfs/dbraw/zinc/38/25/10/655382510.db2.gz IBQACQXORRNEAJ-IUODEOHRSA-N 1 0 380.432 1.597 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818976541 655382700 /nfs/dbraw/zinc/38/27/00/655382700.db2.gz INXXLRODQJYOHQ-RISCZKNCSA-N 1 0 395.294 1.635 20 0 GDADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1ccccc1S(=O)(=O)C(F)F ZINC000842893380 655383241 /nfs/dbraw/zinc/38/32/41/655383241.db2.gz TVCZDKFIQFFZSB-NSHDSACASA-N 1 0 382.454 1.493 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000819030089 655383440 /nfs/dbraw/zinc/38/34/40/655383440.db2.gz WHABWOTUYHCEOK-XJKSGUPXSA-N 1 0 382.555 1.660 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819037104 655383530 /nfs/dbraw/zinc/38/35/30/655383530.db2.gz LTYCXWPOVYKHSK-MRXNPFEDSA-N 1 0 388.295 1.697 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)N1CCSCC1 ZINC000819035823 655383585 /nfs/dbraw/zinc/38/35/85/655383585.db2.gz XHXCSNMIDFMHCO-AWEZNQCLSA-N 1 0 399.365 1.995 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CC[S@@](=O)Cc2ccccc2)cc1 ZINC000819041887 655383669 /nfs/dbraw/zinc/38/36/69/655383669.db2.gz IGLUSTXDNWHGBN-HOYKHHGWSA-N 1 0 381.519 1.662 20 0 GDADRO CC(C)(C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)NS(C)(=O)=O ZINC000819045907 655383812 /nfs/dbraw/zinc/38/38/12/655383812.db2.gz KLEQXPMVMSTMHS-LBPRGKRZSA-N 1 0 383.283 1.539 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000819054311 655384160 /nfs/dbraw/zinc/38/41/60/655384160.db2.gz NCVXONACVHCMKA-PBHICJAKSA-N 1 0 376.519 1.305 20 0 GDADRO COCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)CC2 ZINC000819154158 655386999 /nfs/dbraw/zinc/38/69/99/655386999.db2.gz OFOHUBRCWCWUAX-BXUZGUMPSA-N 1 0 381.274 1.825 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]C[C@H]2CCCS2(=O)=O)CC1 ZINC000819171701 655387409 /nfs/dbraw/zinc/38/74/09/655387409.db2.gz MHAXCGDCVUKTII-PBHICJAKSA-N 1 0 376.519 1.305 20 0 GDADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1ccc(I)cn1 ZINC000843052079 655387450 /nfs/dbraw/zinc/38/74/50/655387450.db2.gz MHGSZPFLKREQNG-UHFFFAOYSA-N 1 0 390.225 1.260 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000819177335 655387581 /nfs/dbraw/zinc/38/75/81/655387581.db2.gz SMKYJVQBTXOKLK-CQSZACIVSA-N 1 0 377.503 1.061 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000843086216 655388178 /nfs/dbraw/zinc/38/81/78/655388178.db2.gz HTBMCDMUSFGGOG-CYBMUJFWSA-N 1 0 379.425 1.344 20 0 GDADRO C[C@@](O)(C[NH2+]C[C@@H]1CC(C(N)=O)=NO1)c1ccc(Br)cc1Cl ZINC000819253392 655388652 /nfs/dbraw/zinc/38/86/52/655388652.db2.gz OGWGRGXJORSJPR-LKFCYVNXSA-N 1 0 390.665 1.530 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+]CCS(C)(=O)=O)cc1Br ZINC000843118002 655388999 /nfs/dbraw/zinc/38/89/99/655388999.db2.gz YGBXVOUNNAXYNI-GFCCVEGCSA-N 1 0 380.304 1.243 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819343523 655390214 /nfs/dbraw/zinc/39/02/14/655390214.db2.gz LWZYCSHWGOONMM-MFKMUULPSA-N 1 0 383.283 1.539 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)COc1ccccc1Cl)C1CCOCC1 ZINC000819350966 655390436 /nfs/dbraw/zinc/39/04/36/655390436.db2.gz WNSRXMZJOPZNMW-CYBMUJFWSA-N 1 0 377.890 1.263 20 0 GDADRO CON(C)C(=O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000819373276 655390807 /nfs/dbraw/zinc/39/08/07/655390807.db2.gz ILSQTLWNWZQQRM-SNVBAGLBSA-N 1 0 381.654 1.452 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843337207 655392966 /nfs/dbraw/zinc/39/29/66/655392966.db2.gz YXYDINCKGOBQQS-UHFFFAOYSA-N 1 0 382.511 1.416 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000843358008 655393655 /nfs/dbraw/zinc/39/36/55/655393655.db2.gz WFWSBYXCIREXIR-LLVKDONJSA-N 1 0 375.441 1.653 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCCNC(=O)c1ccc(Br)cc1 ZINC000843397636 655394229 /nfs/dbraw/zinc/39/42/29/655394229.db2.gz VYBFSNJSWVOYIN-CQSZACIVSA-N 1 0 384.274 1.064 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1nc2ccccn2c1Br ZINC000843429488 655394699 /nfs/dbraw/zinc/39/46/99/655394699.db2.gz WZMIKXQANJBGMO-LBPRGKRZSA-N 1 0 380.290 1.649 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843454283 655395277 /nfs/dbraw/zinc/39/52/77/655395277.db2.gz QLRRQCNPHJHOCY-CHWSQXEVSA-N 1 0 388.921 1.392 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)NS(=O)(=O)c1cccnc1Cl ZINC000843480669 655396456 /nfs/dbraw/zinc/39/64/56/655396456.db2.gz XQLYLWQMGJYAPT-MCYUEQNJSA-N 1 0 388.921 1.295 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000843500877 655397065 /nfs/dbraw/zinc/39/70/65/655397065.db2.gz BRLPKPCRLLWSDP-HNNXBMFYSA-N 1 0 392.308 1.626 20 0 GDADRO [NH3+]CCCCCCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000843513111 655397422 /nfs/dbraw/zinc/39/74/22/655397422.db2.gz UDBZTRVILZKJBV-UHFFFAOYSA-N 1 0 382.313 1.907 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000844181973 655408412 /nfs/dbraw/zinc/40/84/12/655408412.db2.gz XEYIPMXSUGGLFB-HOCLYGCPSA-N 1 0 382.302 1.913 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000844226780 655408774 /nfs/dbraw/zinc/40/87/74/655408774.db2.gz NUZQCRBGKMXEBM-UHFFFAOYSA-N 1 0 383.461 1.824 20 0 GDADRO C[NH+](C)CCN1CCN(Cn2c3ccc(Br)cc3oc2=O)CC1=O ZINC000844714101 655413925 /nfs/dbraw/zinc/41/39/25/655413925.db2.gz IPPBWHYOCTWQHB-UHFFFAOYSA-N 1 0 397.273 1.020 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)s1 ZINC000820731826 655414791 /nfs/dbraw/zinc/41/47/91/655414791.db2.gz UDYVVPSNMYFJAC-AAEUAGOBSA-N 1 0 375.516 1.360 20 0 GDADRO C[NH+](C)CC[C@H](N)c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000844916323 655421070 /nfs/dbraw/zinc/42/10/70/655421070.db2.gz JZYDDDYGNKTXNH-NSHDSACASA-N 1 0 382.262 1.965 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)c2nccnc2c1 ZINC000821053415 655421655 /nfs/dbraw/zinc/42/16/55/655421655.db2.gz YYQQQDDYXQJAFK-CYBMUJFWSA-N 1 0 393.285 1.969 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000845670665 655434105 /nfs/dbraw/zinc/43/41/05/655434105.db2.gz DTNXTTKNYNNORW-KBPBESRZSA-N 1 0 391.343 1.908 20 0 GDADRO CC(C)(C)OC(=O)NCCC1CC([NH2+]CCCN2CCCS2(=O)=O)C1 ZINC000845937466 655439419 /nfs/dbraw/zinc/43/94/19/655439419.db2.gz ADPAFTIKNYXEMN-UHFFFAOYSA-N 1 0 375.535 1.695 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NCC[NH+]2CCCCC2)ccc1Br ZINC000822094357 655440343 /nfs/dbraw/zinc/44/03/43/655440343.db2.gz OKDVCYVROJQOAF-UHFFFAOYSA-N 1 0 390.303 1.312 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[S@@]1=O ZINC000846011858 655444106 /nfs/dbraw/zinc/44/41/06/655444106.db2.gz RHXZKCRTGBUOTI-JXQWACKNSA-N 1 0 375.535 1.201 20 0 GDADRO CCCC1(C[NH2+]CCS(=O)(=O)NC)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822475837 655446014 /nfs/dbraw/zinc/44/60/14/655446014.db2.gz DOSIIFYWXRGGLI-UHFFFAOYSA-N 1 0 377.551 1.943 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000846064032 655446431 /nfs/dbraw/zinc/44/64/31/655446431.db2.gz FLRGNRWLOAKDLV-ZJWNCGCPSA-N 1 0 375.535 1.249 20 0 GDADRO O=C(c1ccc(Br)[nH]c1=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000822580605 655447590 /nfs/dbraw/zinc/44/75/90/655447590.db2.gz QJDQMIRNYPWLFK-UHFFFAOYSA-N 1 0 384.274 1.877 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846234742 655450374 /nfs/dbraw/zinc/45/03/74/655450374.db2.gz KBYDLIGHKNEQEQ-UPJWGTAASA-N 1 0 376.910 1.431 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NCCC2CC[NH2+]CC2)c(Cl)s1 ZINC000846234363 655450418 /nfs/dbraw/zinc/45/04/18/655450418.db2.gz DOKIEEUDNJPXCU-UHFFFAOYSA-N 1 0 386.948 1.473 20 0 GDADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000846338458 655452418 /nfs/dbraw/zinc/45/24/18/655452418.db2.gz SRFODUWFXOBZES-OAGGEKHMSA-N 1 0 379.551 1.518 20 0 GDADRO C[NH+]1CCC(n2ccc(NC(=O)NCC[S@](=O)CC(F)(F)F)n2)CC1 ZINC000823054155 655455817 /nfs/dbraw/zinc/45/58/17/655455817.db2.gz LEHIXOXSNXZMOD-VWLOTQADSA-N 1 0 381.424 1.582 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)ccc1Cl ZINC000846743858 655460153 /nfs/dbraw/zinc/46/01/53/655460153.db2.gz TWEVUUJWFYAHFI-ZYHUDNBSSA-N 1 0 375.878 1.474 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)c1nc(N2CC[NH2+]CC2)no1 ZINC000823315933 655460190 /nfs/dbraw/zinc/46/01/90/655460190.db2.gz QVSJOXLRIQFUGQ-MRVPVSSYSA-N 1 0 386.275 1.794 20 0 GDADRO O=C1C[C@H](c2nc(N3CC[NH2+]CC3)no2)CN1c1ccccc1Br ZINC000823321245 655460358 /nfs/dbraw/zinc/46/03/58/655460358.db2.gz WUOSQQFUVKMXGT-NSHDSACASA-N 1 0 392.257 1.762 20 0 GDADRO CCn1ncc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1Br ZINC000823559427 655464856 /nfs/dbraw/zinc/46/48/56/655464856.db2.gz WGGPPKIWWJWHAX-UHFFFAOYSA-N 1 0 385.306 1.992 20 0 GDADRO C[C@@H]1CC2(C[N@@H+]1CCCS(N)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823643244 655466264 /nfs/dbraw/zinc/46/62/64/655466264.db2.gz ODKGALTZDJXFTL-CQSZACIVSA-N 1 0 375.535 1.777 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)c1ccc(Br)s1 ZINC000823727471 655467143 /nfs/dbraw/zinc/46/71/43/655467143.db2.gz CHDWPBRWJHPBPB-JTQLQIEISA-N 1 0 375.288 1.656 20 0 GDADRO Cn1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1Br ZINC000824050266 655470887 /nfs/dbraw/zinc/47/08/87/655470887.db2.gz CLVYKQWPHUZBTM-UHFFFAOYSA-N 1 0 379.262 1.582 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cnc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000847552929 655471923 /nfs/dbraw/zinc/47/19/23/655471923.db2.gz LZFLWQZJSODRAQ-LBPRGKRZSA-N 1 0 377.869 1.455 20 0 GDADRO Cn1c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc2cc(Br)cnc21 ZINC000824297376 655473638 /nfs/dbraw/zinc/47/36/38/655473638.db2.gz CYPQAIJWYHZJJR-QWHCGFSZSA-N 1 0 379.258 1.227 20 0 GDADRO Cc1nc(C[NH2+]C2CCN(CC(=O)N(C)C)CC2)sc1Br ZINC000824591348 655477658 /nfs/dbraw/zinc/47/76/58/655477658.db2.gz UPYJTOANMFYRFM-UHFFFAOYSA-N 1 0 375.336 1.856 20 0 GDADRO C[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824608989 655477913 /nfs/dbraw/zinc/47/79/13/655477913.db2.gz UBZFXVASNOJZME-CPUCHLNUSA-N 1 0 376.519 1.304 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cn2c(Br)cnc2s1 ZINC000848025264 655480509 /nfs/dbraw/zinc/48/05/09/655480509.db2.gz PTVCLNCEZMOVJZ-JTQLQIEISA-N 1 0 389.319 1.981 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC000848023692 655480511 /nfs/dbraw/zinc/48/05/11/655480511.db2.gz CECDBRLSTAADQC-ZDUSSCGKSA-N 1 0 378.441 1.506 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCS(=O)(=O)C2CCOCC2)C1 ZINC000824897391 655481971 /nfs/dbraw/zinc/48/19/71/655481971.db2.gz WJWCNZLCSVFENV-AWEZNQCLSA-N 1 0 376.519 1.569 20 0 GDADRO C[C@@H]1CN(c2ccc(Br)cc2-c2nn[nH]n2)C[C@@H]1[NH+]1CCOCC1 ZINC000824994114 655483081 /nfs/dbraw/zinc/48/30/81/655483081.db2.gz SYAVRDQHSJSZOI-ABAIWWIYSA-N 1 0 393.289 1.786 20 0 GDADRO O=C(c1nc(F)ccc1Br)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000848209343 655484675 /nfs/dbraw/zinc/48/46/75/655484675.db2.gz JPQXBOYKHOJMJZ-LLVKDONJSA-N 1 0 399.264 1.410 20 0 GDADRO Cn1nc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1Br ZINC000825182875 655485265 /nfs/dbraw/zinc/48/52/65/655485265.db2.gz DGKXJFROPJXPNP-UHFFFAOYSA-N 1 0 393.289 1.259 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C(F)(F)F ZINC000825206909 655485666 /nfs/dbraw/zinc/48/56/66/655485666.db2.gz AAUWBXLBXLQFRV-GFCCVEGCSA-N 1 0 399.822 1.889 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccnc1I ZINC000848376801 655488957 /nfs/dbraw/zinc/48/89/57/655488957.db2.gz LJDCVOPHTDOHPF-LLVKDONJSA-N 1 0 391.253 1.509 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccnc1I ZINC000848376802 655488984 /nfs/dbraw/zinc/48/89/84/655488984.db2.gz LJDCVOPHTDOHPF-NSHDSACASA-N 1 0 391.253 1.509 20 0 GDADRO Cn1nc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1Br ZINC000825845259 655494074 /nfs/dbraw/zinc/49/40/74/655494074.db2.gz UUEUVNLINZEADM-UHFFFAOYSA-N 1 0 378.274 1.972 20 0 GDADRO C[NH+](C)CCNC(=S)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC000848656873 655498366 /nfs/dbraw/zinc/49/83/66/655498366.db2.gz QJZCMMOJJUTNQG-UHFFFAOYSA-N 1 0 380.480 1.832 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000826677834 655500037 /nfs/dbraw/zinc/50/00/37/655500037.db2.gz PNBCMWXNNMYEMP-LLVKDONJSA-N 1 0 379.404 1.536 20 0 GDADRO C[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(I)cc1 ZINC000827527847 655512604 /nfs/dbraw/zinc/51/26/04/655512604.db2.gz ACXGBEABQIMACB-BXUZGUMPSA-N 1 0 388.249 1.578 20 0 GDADRO COc1ccccc1CNC(=[NH2+])NCCn1cc(Br)ccc1=O ZINC000849112839 655517385 /nfs/dbraw/zinc/51/73/85/655517385.db2.gz FQPRAEKMNPISIX-UHFFFAOYSA-N 1 0 379.258 1.934 20 0 GDADRO C[NH+]1CCN(CCn2cc(COc3cccnc3Br)nn2)CC1 ZINC000849136851 655517553 /nfs/dbraw/zinc/51/75/53/655517553.db2.gz LGGAWQVTGUVHSW-UHFFFAOYSA-N 1 0 381.278 1.262 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2COc3cccc(Br)c3C2)cn1 ZINC000828027736 655518504 /nfs/dbraw/zinc/51/85/04/655518504.db2.gz VYJVCAKNBVXYLA-ZDUSSCGKSA-N 1 0 393.285 1.941 20 0 GDADRO COC[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1cccc(Br)c1 ZINC000828112461 655519307 /nfs/dbraw/zinc/51/93/07/655519307.db2.gz LPGWSYZCJOEBCC-JKSUJKDBSA-N 1 0 382.302 1.643 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(OCCS(C)(=O)=O)cc1 ZINC000849272704 655521245 /nfs/dbraw/zinc/52/12/45/655521245.db2.gz PESQJOWYIZEVEE-OAHLLOKOSA-N 1 0 385.555 1.881 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CC1(S(C)(=O)=O)CCCCC1 ZINC000849328614 655522026 /nfs/dbraw/zinc/52/20/26/655522026.db2.gz HKDDCPFFMNTNMP-UHFFFAOYSA-N 1 0 397.559 1.080 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)c(Br)o1 ZINC000849429348 655533651 /nfs/dbraw/zinc/53/36/51/655533651.db2.gz NWBLTCAFXXVBSJ-MRVPVSSYSA-N 1 0 383.264 1.447 20 0 GDADRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cnc1Cl ZINC000850590032 655559393 /nfs/dbraw/zinc/55/93/93/655559393.db2.gz STGZABNWOFJFOJ-BNOWGMLFSA-N 1 0 389.905 1.793 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)C[NH2+]C)c1 ZINC000850593152 655559717 /nfs/dbraw/zinc/55/97/17/655559717.db2.gz ILWIWSMGYNXYEA-LLVKDONJSA-N 1 0 397.950 1.257 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2cnc(Cl)c(C)c2)CC1 ZINC000850593450 655559924 /nfs/dbraw/zinc/55/99/24/655559924.db2.gz RFJGNHPNEGYTLK-UHFFFAOYSA-N 1 0 388.921 1.312 20 0 GDADRO CCS(=O)(=O)N(C)c1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000850763658 655567701 /nfs/dbraw/zinc/56/77/01/655567701.db2.gz IETVSYPBPVNWSE-CYBMUJFWSA-N 1 0 376.429 1.591 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2F)CC[C@H]1F ZINC000851687784 655590530 /nfs/dbraw/zinc/59/05/30/655590530.db2.gz IIFMKPZURRTEMI-DGCLKSJQSA-N 1 0 390.228 1.145 20 0 GDADRO Cn1cnc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1Cl ZINC000851880762 655601955 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O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000852459126 655615221 /nfs/dbraw/zinc/61/52/21/655615221.db2.gz QUUNWSLHQPDZBW-CAVMCXFUSA-N 1 0 381.464 1.956 20 0 GDADRO COC(=O)NC1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000852768355 655622363 /nfs/dbraw/zinc/62/23/63/655622363.db2.gz SGQMVMBIZWEAOL-UHFFFAOYSA-N 1 0 395.257 1.777 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2I)C1 ZINC000852793571 655622699 /nfs/dbraw/zinc/62/26/99/655622699.db2.gz CKVPBKMXCZFCBS-NSHDSACASA-N 1 0 396.232 1.898 20 0 GDADRO [NH3+]C[C@H](NC(=O)c1cnn(-c2ccccc2)c1I)C1CC1 ZINC000852799327 655622901 /nfs/dbraw/zinc/62/29/01/655622901.db2.gz RONKRDWOBNCYDZ-ZDUSSCGKSA-N 1 0 396.232 1.944 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)=NO1 ZINC000852809853 655623206 /nfs/dbraw/zinc/62/32/06/655623206.db2.gz NNCIAYKHINYAFH-LLVKDONJSA-N 1 0 385.251 1.381 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)=NO1 ZINC000852825326 655623710 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GDADRO COCC[NH+](CCOC)C1CCN(c2ncnc(F)c2Br)CC1 ZINC000853619060 655645484 /nfs/dbraw/zinc/64/54/84/655645484.db2.gz TUXOQVDKIPIRHG-UHFFFAOYSA-N 1 0 391.285 1.942 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(Cn2nnn(Cc3cccs3)c2=S)CCO1 ZINC000853623421 655645665 /nfs/dbraw/zinc/64/56/65/655645665.db2.gz GYZRCCQWEZUASU-CQSZACIVSA-N 1 0 382.559 1.919 20 0 GDADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NC[C@@H]1CSCCS1 ZINC000853844988 655651757 /nfs/dbraw/zinc/65/17/57/655651757.db2.gz VSBGHYFZRVNCJU-DLBZAZTESA-N 1 0 381.567 1.901 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000853990520 655655389 /nfs/dbraw/zinc/65/53/89/655655389.db2.gz PGCVKDSSGOSLJZ-LLVKDONJSA-N 1 0 383.294 1.673 20 0 GDADRO C[NH+](C)CCCNC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000854145411 655657508 /nfs/dbraw/zinc/65/75/08/655657508.db2.gz XLXFJDGMOHFNDI-RUZDIDTESA-N 1 0 375.535 1.203 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCC[S@@](=O)CC(F)(F)F)o1 ZINC000854307540 655661676 /nfs/dbraw/zinc/66/16/76/655661676.db2.gz OULKRCDGHPNDAY-RUZDIDTESA-N 1 0 383.436 1.972 20 0 GDADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000854651730 655673463 /nfs/dbraw/zinc/67/34/63/655673463.db2.gz LCWOTFZXEZESPD-SKDRFNHKSA-N 1 0 390.303 1.261 20 0 GDADRO Cn1nc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC000855200524 655686427 /nfs/dbraw/zinc/68/64/27/655686427.db2.gz DKOYYWOKOHMONP-UHFFFAOYSA-N 1 0 385.306 1.803 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(Cl)ncc1Br ZINC000855697690 655699718 /nfs/dbraw/zinc/69/97/18/655699718.db2.gz DEZBMRCUQAZMKP-UHFFFAOYSA-N 1 0 391.697 1.590 20 0 GDADRO C[NH+](C)CCOc1cc(C(=O)N2CCn3ncc(Br)c3C2)ccn1 ZINC000856011701 655706379 /nfs/dbraw/zinc/70/63/79/655706379.db2.gz MSHXIJWWXTWWJN-UHFFFAOYSA-N 1 0 394.273 1.637 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000856139295 655708728 /nfs/dbraw/zinc/70/87/28/655708728.db2.gz SPWVKJHYOCXQHG-SWLSCSKDSA-N 1 0 388.295 1.553 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)C[C@H](C)[NH2+]1 ZINC000856408844 655712884 /nfs/dbraw/zinc/71/28/84/655712884.db2.gz VDCBYAUGGUXISD-QWHCGFSZSA-N 1 0 385.917 1.947 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(Cl)cn1 ZINC000856480520 655713920 /nfs/dbraw/zinc/71/39/20/655713920.db2.gz ULBGRNIMDXBQQK-CYBMUJFWSA-N 1 0 385.917 1.990 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cn(-c3ccccc3Br)nn1)C2 ZINC000857008515 655725448 /nfs/dbraw/zinc/72/54/48/655725448.db2.gz LKDHKQGJNOJTFB-BZNIZROVSA-N 1 0 376.258 1.983 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000857106323 655727881 /nfs/dbraw/zinc/72/78/81/655727881.db2.gz JHKGSXHWMRFLTA-GFCCVEGCSA-N 1 0 379.332 1.860 20 0 GDADRO CS[C@@H]1CN(C(=O)c2c(Br)nc3n2CCOC3)C[C@H]1[NH+](C)C ZINC000857164940 655729639 /nfs/dbraw/zinc/72/96/39/655729639.db2.gz UPJVQVQTLNXYCJ-NXEZZACHSA-N 1 0 389.319 1.293 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CC[C@@H]2CC2(Cl)Cl)CC1=O ZINC000857259621 655732656 /nfs/dbraw/zinc/73/26/56/655732656.db2.gz BSDFGEODRZTBCU-CHWSQXEVSA-N 1 0 380.316 1.256 20 0 GDADRO Cn1cc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c(Br)n1 ZINC000858105149 655744470 /nfs/dbraw/zinc/74/44/70/655744470.db2.gz ABLARDNQYMOHCX-AWEZNQCLSA-N 1 0 375.336 1.480 20 0 GDADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000858498553 655748733 /nfs/dbraw/zinc/74/87/33/655748733.db2.gz QWTJLBURXLUTLV-JHJVBQTASA-N 1 0 388.921 1.902 20 0 GDADRO COc1cc([C@H](C)[NH2+]C[C@H]2COCCN2C)ccc1S(=O)(=O)C(F)F ZINC000858521313 655749023 /nfs/dbraw/zinc/74/90/23/655749023.db2.gz MKQZROHUAUAIMQ-AAEUAGOBSA-N 1 0 378.441 1.673 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1)C(F)(F)F ZINC000858612610 655750294 /nfs/dbraw/zinc/75/02/94/655750294.db2.gz YEIWWRXMQLRXMR-CQSZACIVSA-N 1 0 377.388 1.562 20 0 GDADRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[NH2+]1 ZINC000858631828 655751443 /nfs/dbraw/zinc/75/14/43/655751443.db2.gz IRIGDUZOVRXCKO-NXEZZACHSA-N 1 0 386.417 1.399 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)N(C)C[C@H](C)[NH3+] ZINC000858640993 655751830 /nfs/dbraw/zinc/75/18/30/655751830.db2.gz XCLRNSXBHSJRIB-NSHDSACASA-N 1 0 395.319 1.832 20 0 GDADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)nc1F ZINC000858947891 655756953 /nfs/dbraw/zinc/75/69/53/655756953.db2.gz JPKJZWJRISUWJU-UHFFFAOYSA-N 1 0 380.283 1.946 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000858969547 655757719 /nfs/dbraw/zinc/75/77/19/655757719.db2.gz ORRPQIMRWINBBO-GFCCVEGCSA-N 1 0 379.404 1.902 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(Br)nc1F ZINC000859020937 655759681 /nfs/dbraw/zinc/75/96/81/655759681.db2.gz VSSCGRADOGCKKM-UHFFFAOYSA-N 1 0 384.271 1.230 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1C ZINC000859052111 655760639 /nfs/dbraw/zinc/76/06/39/655760639.db2.gz UXXCNPGOCBTMQW-INIZCTEOSA-N 1 0 387.527 1.889 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)ccc1Br ZINC000859392848 655780624 /nfs/dbraw/zinc/78/06/24/655780624.db2.gz JHYUCYQYEAJJIZ-JTQLQIEISA-N 1 0 391.287 1.608 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859590508 655787660 /nfs/dbraw/zinc/78/76/60/655787660.db2.gz JUXRYEZUQXPWQF-UHFFFAOYSA-N 1 0 397.273 1.607 20 0 GDADRO CC(C)(C)OC(=O)NCCCCCC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000859958817 655792296 /nfs/dbraw/zinc/79/22/96/655792296.db2.gz ZGGACJGUGNRPPK-UHFFFAOYSA-N 1 0 378.539 1.329 20 0 GDADRO O=C(NCC[C@@H]1CC1(Cl)Cl)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861654555 655827468 /nfs/dbraw/zinc/82/74/68/655827468.db2.gz VDIPLVSNMIIWGV-RTXFEEFZSA-N 1 0 391.299 1.537 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000862032457 655837071 /nfs/dbraw/zinc/83/70/71/655837071.db2.gz TXPNSPFFAKWTQS-LLVKDONJSA-N 1 0 399.289 1.639 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)cc(C=O)c2)CC1=O ZINC000862121659 655838997 /nfs/dbraw/zinc/83/89/97/655838997.db2.gz JUAFZWNCHSFUTQ-UHFFFAOYSA-N 1 0 382.258 1.108 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862274649 655843648 /nfs/dbraw/zinc/84/36/48/655843648.db2.gz RMYYBKIRGNBLFU-CYBMUJFWSA-N 1 0 379.523 1.277 20 0 GDADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000862792022 655855018 /nfs/dbraw/zinc/85/50/18/655855018.db2.gz LRAYWNYLBFPGEU-GFCCVEGCSA-N 1 0 393.289 1.887 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=S)NCc1ccc(Br)cc1 ZINC000863211809 655863000 /nfs/dbraw/zinc/86/30/00/655863000.db2.gz HLCVRYKAEBNLRR-AWEZNQCLSA-N 1 0 399.358 1.753 20 0 GDADRO COC(=O)[C@@]1(OC)CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000863295866 655865034 /nfs/dbraw/zinc/86/50/34/655865034.db2.gz CPBJBJNFTROCIO-QGZVFWFLSA-N 1 0 395.253 1.985 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)c1Cl ZINC000863450006 655873467 /nfs/dbraw/zinc/87/34/67/655873467.db2.gz DEAJOIWWBXQHAG-JZYVYDRUSA-N 1 0 378.903 1.677 20 0 GDADRO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000863548569 655875428 /nfs/dbraw/zinc/87/54/28/655875428.db2.gz RUKGTGARUAVJQM-AWEZNQCLSA-N 1 0 375.441 1.551 20 0 GDADRO CC1(C)C[NH2+]CC[C@H](NC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C1 ZINC000864055591 655888191 /nfs/dbraw/zinc/88/81/91/655888191.db2.gz SXKHNDCZEUXVEH-SRVKXCTJSA-N 1 0 385.452 1.382 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000864600903 655903049 /nfs/dbraw/zinc/90/30/49/655903049.db2.gz LYAUPQXCEPBDPY-UHFFFAOYSA-N 1 0 397.220 1.382 20 0 GDADRO O=C(Nc1ccc(Br)cc1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000864620411 655903471 /nfs/dbraw/zinc/90/34/71/655903471.db2.gz KURNAAJOHCQZJT-MJBXVCDLSA-N 1 0 395.257 1.848 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)Cn2ccc(Br)cc2=O)C[C@H](C)O1 ZINC000864668584 655904064 /nfs/dbraw/zinc/90/40/64/655904064.db2.gz RARMHRZCMDCKDT-STQMWFEESA-N 1 0 386.290 1.226 20 0 GDADRO C[C@@H](CNC(=O)c1cc(I)nn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000864878004 655907699 /nfs/dbraw/zinc/90/76/99/655907699.db2.gz YVWZLDOSRPNHRZ-MNOVXSKESA-N 1 0 390.269 1.875 20 0 GDADRO C[N@H+](CCNC(=O)Cn1ccc(Br)cc1=O)Cc1ccccc1 ZINC000864983093 655909641 /nfs/dbraw/zinc/90/96/41/655909641.db2.gz ARNACTNWXJMCEW-UHFFFAOYSA-N 1 0 378.270 1.859 20 0 GDADRO CC(=O)N[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000865008939 655910061 /nfs/dbraw/zinc/91/00/61/655910061.db2.gz QFXWGHMMORGGNO-GOEBONIOSA-N 1 0 380.286 1.979 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000865161258 655913457 /nfs/dbraw/zinc/91/34/57/655913457.db2.gz IGPLBTXRBRDOTO-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO Cc1ccnc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1Br ZINC000865481896 655920410 /nfs/dbraw/zinc/92/04/10/655920410.db2.gz XWSASNAKZXSAKR-ZBEGNZNMSA-N 1 0 381.274 1.963 20 0 GDADRO COCC[C@H](C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000865473324 655920431 /nfs/dbraw/zinc/92/04/31/655920431.db2.gz MKSHHHSPYWVSIH-RBSFLKMASA-N 1 0 378.535 1.862 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000865583618 655922329 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C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc(Br)cs1 ZINC000866554388 655949330 /nfs/dbraw/zinc/94/93/30/655949330.db2.gz QKXNMXLWVJGAMQ-YGRLFVJLSA-N 1 0 375.288 1.789 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2nc[nH]c2Br)o1 ZINC000866556199 655949471 /nfs/dbraw/zinc/94/94/71/655949471.db2.gz YZRGFXJHYNKIJQ-UHFFFAOYSA-N 1 0 391.291 1.826 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000866643524 655952276 /nfs/dbraw/zinc/95/22/76/655952276.db2.gz IZIPWPGASKUIDU-UHFFFAOYSA-N 1 0 390.527 1.522 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000866654548 655952597 /nfs/dbraw/zinc/95/25/97/655952597.db2.gz KKJAWCFVZTYYCC-OAHLLOKOSA-N 1 0 398.301 1.324 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000866710957 655955873 /nfs/dbraw/zinc/95/58/73/655955873.db2.gz YGPLEDLQUGWFRA-QWRGUYRKSA-N 1 0 388.253 1.581 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000866710956 655955897 /nfs/dbraw/zinc/95/58/97/655955897.db2.gz YGPLEDLQUGWFRA-MNOVXSKESA-N 1 0 388.253 1.581 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000866710955 655955910 /nfs/dbraw/zinc/95/59/10/655955910.db2.gz YGPLEDLQUGWFRA-GHMZBOCLSA-N 1 0 388.253 1.581 20 0 GDADRO O=C(CNC(=O)CN1CCC[C@H]2[NH2+]CC[C@H]21)Nc1ccccc1Br ZINC000866722355 655956771 /nfs/dbraw/zinc/95/67/71/655956771.db2.gz XYDJOMLOHYORPO-HUUCEWRRSA-N 1 0 395.301 1.330 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000866755628 655959455 /nfs/dbraw/zinc/95/94/55/655959455.db2.gz RXOYJYIDSKABCR-OAHLLOKOSA-N 1 0 389.315 1.973 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000866758050 655959552 /nfs/dbraw/zinc/95/95/52/655959552.db2.gz LVELZLKAGLADBV-WDEREUQCSA-N 1 0 377.304 1.957 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000866768637 655960976 /nfs/dbraw/zinc/96/09/76/655960976.db2.gz DPVZHNYIVRZCGK-SMDDNHRTSA-N 1 0 389.315 1.971 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000866776367 655962124 /nfs/dbraw/zinc/96/21/24/655962124.db2.gz XIWWZQDOTXMQRY-LLVKDONJSA-N 1 0 377.308 1.573 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)C2 ZINC000866779319 655962640 /nfs/dbraw/zinc/96/26/40/655962640.db2.gz LDAYRWSKHGOLIJ-QMTHXVAHSA-N 1 0 377.388 1.689 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2)C(F)(F)F ZINC000866780152 655962761 /nfs/dbraw/zinc/96/27/61/655962761.db2.gz ZIFQNPZEQXYDAF-LBPRGKRZSA-N 1 0 377.388 1.750 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NC[C@@H]3CCC(C)(C)C[NH2+]3)cc2C1 ZINC000866785280 655963378 /nfs/dbraw/zinc/96/33/78/655963378.db2.gz UXXWKBCCUWMZDH-AWEZNQCLSA-N 1 0 385.555 1.709 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000866791842 655964068 /nfs/dbraw/zinc/96/40/68/655964068.db2.gz LXSUCQQOKVDXOR-OCAPTIKFSA-N 1 0 395.300 1.422 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)s1 ZINC000866813180 655966296 /nfs/dbraw/zinc/96/62/96/655966296.db2.gz NVMVCUVATNFVIK-NSHDSACASA-N 1 0 375.516 1.313 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866815149 655966538 /nfs/dbraw/zinc/96/65/38/655966538.db2.gz KWEWRGGYZUJMAD-QGZVFWFLSA-N 1 0 388.555 1.784 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21)C(F)F ZINC000866820262 655966952 /nfs/dbraw/zinc/96/69/52/655966952.db2.gz PHDDMEKAZSUWCP-NWDGAFQWSA-N 1 0 394.465 1.446 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000866822406 655967135 /nfs/dbraw/zinc/96/71/35/655967135.db2.gz DGGYEWLYZKJDTC-NSHDSACASA-N 1 0 377.308 1.811 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(Cl)s1 ZINC000866828392 655967749 /nfs/dbraw/zinc/96/77/49/655967749.db2.gz WQGBZTMFZZMKNG-IUCAKERBSA-N 1 0 384.932 1.320 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cn1ccc(Br)cc1=O ZINC000866861952 655971525 /nfs/dbraw/zinc/97/15/25/655971525.db2.gz ABMOZPOKVZRRSN-RBSFLKMASA-N 1 0 398.301 1.321 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cnn(C)c2Br)[C@@H](C)C1 ZINC000866864690 655971711 /nfs/dbraw/zinc/97/17/11/655971711.db2.gz XJWVAHCQFMFDHT-QWRGUYRKSA-N 1 0 379.324 1.533 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000866895646 655974840 /nfs/dbraw/zinc/97/48/40/655974840.db2.gz XEWNHHMKOVHHKI-OAHLLOKOSA-N 1 0 375.535 1.599 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866918440 655977091 /nfs/dbraw/zinc/97/70/91/655977091.db2.gz YMWIYBMPDJJNIH-UHFFFAOYSA-N 1 0 381.329 1.693 20 0 GDADRO CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866940912 655979455 /nfs/dbraw/zinc/97/94/55/655979455.db2.gz ZNLHGUIZVMZAAA-QKFKETGDSA-N 1 0 377.532 1.335 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000867013690 655987345 /nfs/dbraw/zinc/98/73/45/655987345.db2.gz YYCPQFQJKPVSLW-GFCCVEGCSA-N 1 0 391.335 1.535 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC ZINC000867146797 656002558 /nfs/dbraw/zinc/00/25/58/656002558.db2.gz ZWIQXVOIUBVUEO-LLVKDONJSA-N 1 0 376.450 1.630 20 0 GDADRO Cn1cc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)c(Br)n1 ZINC000867186642 656008217 /nfs/dbraw/zinc/00/82/17/656008217.db2.gz UQZPIAHPLMDLII-UHFFFAOYSA-N 1 0 379.324 1.583 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1Br ZINC000867207099 656013679 /nfs/dbraw/zinc/01/36/79/656013679.db2.gz JFJOXHQCFTXQPO-NSHDSACASA-N 1 0 379.324 1.581 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCn2c(Br)cnc2C1 ZINC000867237211 656019844 /nfs/dbraw/zinc/01/98/44/656019844.db2.gz SZQYAUSSNYFATD-UHFFFAOYSA-N 1 0 377.308 1.277 20 0 GDADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cn(C)nc1Br ZINC000867262196 656025376 /nfs/dbraw/zinc/02/53/76/656025376.db2.gz WUSBKZGYYSXUEZ-UHFFFAOYSA-N 1 0 379.324 1.679 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c(F)cc1Cl ZINC000867307961 656035303 /nfs/dbraw/zinc/03/53/03/656035303.db2.gz FGGVQROIEYEGBS-NOZJJQNGSA-N 1 0 378.853 1.979 20 0 GDADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867323211 656037875 /nfs/dbraw/zinc/03/78/75/656037875.db2.gz AGEMVKFNQXIGBC-UHFFFAOYSA-N 1 0 385.306 1.507 20 0 GDADRO COc1cc(C)c([S@](C)=O)cc1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867431063 656059857 /nfs/dbraw/zinc/05/98/57/656059857.db2.gz YYTTVMOSWONQCN-QHCPKHFHSA-N 1 0 375.512 1.936 20 0 GDADRO Cn1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(Br)n1 ZINC000867487696 656069487 /nfs/dbraw/zinc/06/94/87/656069487.db2.gz QJYIWYSCQQSOBL-GHMZBOCLSA-N 1 0 377.308 1.478 20 0 GDADRO CCC1(N2CCOCC2)CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000867566171 656085235 /nfs/dbraw/zinc/08/52/35/656085235.db2.gz HIIIZOUDDDQIRI-UHFFFAOYSA-N 1 0 379.548 1.070 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000867601026 656091853 /nfs/dbraw/zinc/09/18/53/656091853.db2.gz GXDQENWYQQVPTJ-HZPDHXFCSA-N 1 0 381.567 1.850 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867799445 656118035 /nfs/dbraw/zinc/11/80/35/656118035.db2.gz LWFURMIPGKZIRB-CJNGLKHVSA-N 1 0 394.313 1.926 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867800170 656118271 /nfs/dbraw/zinc/11/82/71/656118271.db2.gz VPFDUVVYGQEJOD-GOEBONIOSA-N 1 0 394.313 1.926 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(OCC(F)(F)F)nc3)CC[C@@H]21 ZINC000867811566 656120247 /nfs/dbraw/zinc/12/02/47/656120247.db2.gz DANIUDDXRRAXKB-AAEUAGOBSA-N 1 0 379.404 1.737 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000867814322 656120448 /nfs/dbraw/zinc/12/04/48/656120448.db2.gz NUOKIRJFLSLVKJ-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000867813572 656120483 /nfs/dbraw/zinc/12/04/83/656120483.db2.gz XXOKKRHUDMEPRN-ZFWWWQNUSA-N 1 0 385.917 1.757 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3c(F)cc(F)cc3F)CC2)CC1 ZINC000867817585 656121269 /nfs/dbraw/zinc/12/12/69/656121269.db2.gz KJTKYJOACGCIDA-UHFFFAOYSA-N 1 0 377.432 1.504 20 0 GDADRO COc1cc(I)ccc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000867872676 656127997 /nfs/dbraw/zinc/12/79/97/656127997.db2.gz AVWFCFZIZMARHV-PHIMTYICSA-N 1 0 386.233 1.933 20 0 GDADRO CC(C)n1ncc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1I ZINC000867965650 656136177 /nfs/dbraw/zinc/13/61/77/656136177.db2.gz GRXMBGBKFBXHEZ-NXEZZACHSA-N 1 0 376.242 1.891 20 0 GDADRO C[C@]1([NH3+])CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C1 ZINC000868074815 656139633 /nfs/dbraw/zinc/13/96/33/656139633.db2.gz ALQGWFAUYDMATC-KRWDZBQOSA-N 1 0 379.507 1.790 20 0 GDADRO O=C(Nc1cc(Br)ccn1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868155458 656142461 /nfs/dbraw/zinc/14/24/61/656142461.db2.gz OVEHFRJZPMPZPM-TUAOUCFPSA-N 1 0 396.245 1.243 20 0 GDADRO Cn1ncc(I)c1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000868167871 656142746 /nfs/dbraw/zinc/14/27/46/656142746.db2.gz NSFQFUSPAMOARB-UHFFFAOYSA-N 1 0 397.220 1.950 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000868235879 656145449 /nfs/dbraw/zinc/14/54/49/656145449.db2.gz JVRQUWWXSZNUSH-OLZOCXBDSA-N 1 0 397.317 1.298 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Br)c2)C1 ZINC000868246534 656145972 /nfs/dbraw/zinc/14/59/72/656145972.db2.gz SODBOVGHGLRIBQ-ZETCQYMHSA-N 1 0 391.063 1.710 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000868250075 656146521 /nfs/dbraw/zinc/14/65/21/656146521.db2.gz GXAGELOXEOWXLJ-QGZVFWFLSA-N 1 0 396.285 1.998 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000868287731 656148704 /nfs/dbraw/zinc/14/87/04/656148704.db2.gz IVXDQQGPPJRBAB-UHFFFAOYSA-N 1 0 382.258 1.879 20 0 GDADRO C[C@H](CNC(=O)NCc1c(I)cnn1C)[N@H+](C)C1CC1 ZINC000868372241 656152339 /nfs/dbraw/zinc/15/23/39/656152339.db2.gz QUYOJOGPAAFAIY-SECBINFHSA-N 1 0 391.257 1.307 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](COC)c1cccc(Br)c1 ZINC000868391065 656153956 /nfs/dbraw/zinc/15/39/56/656153956.db2.gz FWWXUBYMLWFFEO-AWEZNQCLSA-N 1 0 386.290 1.321 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000868390537 656154022 /nfs/dbraw/zinc/15/40/22/656154022.db2.gz LSKVDYHDXMFZKH-HONMWMINSA-N 1 0 384.274 1.058 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000868400174 656154185 /nfs/dbraw/zinc/15/41/85/656154185.db2.gz GAGJDRUDQIJCMA-XUJVJEKNSA-N 1 0 396.285 1.297 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1I ZINC000868522023 656159082 /nfs/dbraw/zinc/15/90/82/656159082.db2.gz YILQBCCNLKDKNW-ZYHUDNBSSA-N 1 0 388.253 1.845 20 0 GDADRO CC(=O)N[C@@H](C(=O)NCC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000868758506 656167997 /nfs/dbraw/zinc/16/79/97/656167997.db2.gz WNSFASLHXYELTB-MRXNPFEDSA-N 1 0 398.301 1.199 20 0 GDADRO O=C(NCc1ccc(Br)cn1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000868783189 656168875 /nfs/dbraw/zinc/16/88/75/656168875.db2.gz IYRZVYFLVJFXLF-OAHLLOKOSA-N 1 0 383.290 1.897 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1nc(Br)sc1Cl ZINC000869081582 656178882 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Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870964610 656259083 /nfs/dbraw/zinc/25/90/83/656259083.db2.gz HWOROXFVAJWJCA-AOOOYVTPSA-N 1 0 375.288 1.628 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971379 656259448 /nfs/dbraw/zinc/25/94/48/656259448.db2.gz JSPRLTKJAZJELP-GVXVVHGQSA-N 1 0 389.315 1.712 20 0 GDADRO COC[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000871008889 656260299 /nfs/dbraw/zinc/26/02/99/656260299.db2.gz NTXWCMBOCVLRTC-CABCVRRESA-N 1 0 398.301 1.511 20 0 GDADRO C[N@@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CCC1(C)C ZINC000871155171 656263135 /nfs/dbraw/zinc/26/31/35/656263135.db2.gz QDCAJZAXXALXJN-UHFFFAOYSA-N 1 0 377.869 1.683 20 0 GDADRO Cn1cc(Br)c(Cn2cnc3c(cnn3C3CC[NH2+]CC3)c2=O)n1 ZINC000871674695 656276275 /nfs/dbraw/zinc/27/62/75/656276275.db2.gz ICTUAMDEGIVUKU-UHFFFAOYSA-N 1 0 392.261 1.062 20 0 GDADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cncc(Br)c1 ZINC000871810520 656281175 /nfs/dbraw/zinc/28/11/75/656281175.db2.gz NKGWSYWIQOKVBU-GFCCVEGCSA-N 1 0 390.303 1.281 20 0 GDADRO COC(=O)c1cccc(CS(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000871812678 656281705 /nfs/dbraw/zinc/28/17/05/656281705.db2.gz BJVPTOVWEULVDJ-OLZOCXBDSA-N 1 0 380.388 1.372 20 0 GDADRO Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc12 ZINC000871813294 656281933 /nfs/dbraw/zinc/28/19/33/656281933.db2.gz HSGXXHMMXVATIX-SKDRFNHKSA-N 1 0 377.392 1.034 20 0 GDADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000871813432 656282117 /nfs/dbraw/zinc/28/21/17/656282117.db2.gz ILZFFBCKMNVSCL-ZJUUUORDSA-N 1 0 384.351 1.370 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)C[C@@H]1C(F)(F)F ZINC000871814012 656282493 /nfs/dbraw/zinc/28/24/93/656282493.db2.gz NUFWTQKHPLXHRE-BQBZGAKWSA-N 1 0 388.824 1.807 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(F)c1 ZINC000871814521 656282925 /nfs/dbraw/zinc/28/29/25/656282925.db2.gz VSJUBOWOKFCBSJ-MWLCHTKSSA-N 1 0 383.367 1.542 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000871815603 656283340 /nfs/dbraw/zinc/28/33/40/656283340.db2.gz ZZAAWSITPRHJPW-IINYFYTJSA-N 1 0 375.288 1.688 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C[NH3+])c3ccccc32)c1Br ZINC000871819729 656283744 /nfs/dbraw/zinc/28/37/44/656283744.db2.gz RQTLGCZBRYFLNY-SNVBAGLBSA-N 1 0 385.287 1.824 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872065051 656318436 /nfs/dbraw/zinc/31/84/36/656318436.db2.gz RQUVVYRXYFTAJV-OCCSQVGLSA-N 1 0 377.304 1.666 20 0 GDADRO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)c2cc(Br)ccc21 ZINC000872140880 656318685 /nfs/dbraw/zinc/31/86/85/656318685.db2.gz BSGXLTUDBNUXCJ-JHJVBQTASA-N 1 0 376.272 1.407 20 0 GDADRO CN(Cc1ccccc1Cl)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872185123 656319407 /nfs/dbraw/zinc/31/94/07/656319407.db2.gz HJLMRRJILCFYBE-RYUDHWBXSA-N 1 0 377.794 1.894 20 0 GDADRO CCN(CCc1nccs1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872192421 656319769 /nfs/dbraw/zinc/31/97/69/656319769.db2.gz WEIDINAVQYALCM-QWRGUYRKSA-N 1 0 378.420 1.130 20 0 GDADRO CCN(CCc1nccs1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872192422 656319803 /nfs/dbraw/zinc/31/98/03/656319803.db2.gz WEIDINAVQYALCM-WDEREUQCSA-N 1 0 378.420 1.130 20 0 GDADRO CC(C)(O)C[C@@H](O)C[NH2+]CCOc1ccc(I)cc1 ZINC000872208548 656320059 /nfs/dbraw/zinc/32/00/59/656320059.db2.gz YRYDGIGJTKTCAR-GFCCVEGCSA-N 1 0 379.238 1.782 20 0 GDADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000872219135 656320311 /nfs/dbraw/zinc/32/03/11/656320311.db2.gz VSJTZNRSVVLYNU-LSDHHAIUSA-N 1 0 387.318 1.624 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]C[C@H](O)COc3cc(Cl)cc(Cl)c3)COCCN12 ZINC000872230307 656320708 /nfs/dbraw/zinc/32/07/08/656320708.db2.gz XQVKYTKMXSGQDB-XJKSGUPXSA-N 1 0 391.251 1.544 20 0 GDADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC2)c1 ZINC000872446270 656329494 /nfs/dbraw/zinc/32/94/94/656329494.db2.gz BIVYTSIYYBVNLY-DEOSSOPVSA-N 1 0 390.531 1.353 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872459949 656333511 /nfs/dbraw/zinc/33/35/11/656333511.db2.gz YYPUDCDQMWYKEV-PSLXWICFSA-N 1 0 383.580 1.560 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000872466603 656335393 /nfs/dbraw/zinc/33/53/93/656335393.db2.gz CTAGPUVJGTZEOX-IYPVNNRCSA-N 1 0 394.607 1.085 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872477873 656338033 /nfs/dbraw/zinc/33/80/33/656338033.db2.gz MDNMLSWKEXOOSE-UHFFFAOYSA-N 1 0 389.905 1.207 20 0 GDADRO CSC1(CNS(=O)(=O)c2cccc(Br)n2)CC[NH+](C)CC1 ZINC000872488018 656340916 /nfs/dbraw/zinc/34/09/16/656340916.db2.gz AIDODTHVLSTXEV-UHFFFAOYSA-N 1 0 394.360 1.950 20 0 GDADRO CC[C@H]1COCCN1CCNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000872771665 656376180 /nfs/dbraw/zinc/37/61/80/656376180.db2.gz KFMNGMKUFLVPAB-NSHDSACASA-N 1 0 381.420 1.876 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(c2ncnc(F)c2Br)CC1 ZINC000872780022 656376470 /nfs/dbraw/zinc/37/64/70/656376470.db2.gz VMJPJVFPWAYWPT-ZJUUUORDSA-N 1 0 386.225 1.140 20 0 GDADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1cccc(Br)n1 ZINC000873102356 656386194 /nfs/dbraw/zinc/38/61/94/656386194.db2.gz KUDHFDACMGBKEV-NSHDSACASA-N 1 0 397.273 1.058 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873102799 656386215 /nfs/dbraw/zinc/38/62/15/656386215.db2.gz ALFWPPQLCIXOBP-PSASIEDQSA-N 1 0 379.766 1.883 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000873103064 656386376 /nfs/dbraw/zinc/38/63/76/656386376.db2.gz CDPGFKOMBVQZKB-LDYMZIIASA-N 1 0 394.191 1.983 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1cccc(I)c1)C2 ZINC000873105768 656386570 /nfs/dbraw/zinc/38/65/70/656386570.db2.gz AYQDVNJIZHTAPC-ZUZCIYMTSA-N 1 0 399.232 1.298 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1ccc(I)cc1)C2 ZINC000873106525 656386660 /nfs/dbraw/zinc/38/66/60/656386660.db2.gz QNMQULLXLKFMHX-ZUZCIYMTSA-N 1 0 399.232 1.298 20 0 GDADRO O[C@H](C[NH2+]Cc1cccc(F)c1I)Cn1ccnn1 ZINC000873130521 656387855 /nfs/dbraw/zinc/38/78/55/656387855.db2.gz GINNWGLLQOENGL-SNVBAGLBSA-N 1 0 376.173 1.173 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000873722234 656406853 /nfs/dbraw/zinc/40/68/53/656406853.db2.gz VVPNSLZCAGSOHH-UHFFFAOYSA-N 1 0 384.274 1.854 20 0 GDADRO CCc1ccc(Br)c(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000873729332 656408436 /nfs/dbraw/zinc/40/84/36/656408436.db2.gz NJUGPTQGFDDVQD-UHFFFAOYSA-N 1 0 398.301 1.523 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000873731653 656408972 /nfs/dbraw/zinc/40/89/72/656408972.db2.gz HDTGJZFEARGRGH-PWSUYJOCSA-N 1 0 384.274 1.995 20 0 GDADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000873889527 656426429 /nfs/dbraw/zinc/42/64/29/656426429.db2.gz AFTIHVUJFMLRDY-SNVBAGLBSA-N 1 0 384.274 1.904 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2)C[NH+](C)C ZINC000873890877 656426497 /nfs/dbraw/zinc/42/64/97/656426497.db2.gz VEZTWVOBLHXSDF-JTQLQIEISA-N 1 0 384.274 1.636 20 0 GDADRO C[NH+]1CCC(n2cc(NC(=O)C(=O)NC[C@]3(C)CC3(Cl)Cl)cn2)CC1 ZINC000873903938 656427631 /nfs/dbraw/zinc/42/76/31/656427631.db2.gz IAVAEPAKBMGLKU-HNNXBMFYSA-N 1 0 388.299 1.788 20 0 GDADRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)CC2 ZINC000922044204 656446217 /nfs/dbraw/zinc/44/62/17/656446217.db2.gz SDKGQDKAFGMLJQ-NSHDSACASA-N 1 0 395.305 1.859 20 0 GDADRO CN1CCC([NH+]2CCC(NC(=O)c3cc(N)nc(Br)c3)CC2)CC1 ZINC000874256225 656455947 /nfs/dbraw/zinc/45/59/47/656455947.db2.gz HWIKJVDNYGDIFE-UHFFFAOYSA-N 1 0 396.333 1.715 20 0 GDADRO C[N@H+](CCNC(=O)Cc1c[nH]c2cc(Br)ccc12)CCOCCO ZINC000922120000 656457856 /nfs/dbraw/zinc/45/78/56/656457856.db2.gz ZXLNYXKXZZTJHI-UHFFFAOYSA-N 1 0 398.301 1.530 20 0 GDADRO CCn1c(C[NH2+]C[C@@H]2CC(=O)N(C)C2)nc(Br)c1Br ZINC000922247795 656464147 /nfs/dbraw/zinc/46/41/47/656464147.db2.gz DRUHIXNXCFRVQT-QMMMGPOBSA-N 1 0 394.111 1.996 20 0 GDADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000874365542 656465576 /nfs/dbraw/zinc/46/55/76/656465576.db2.gz DINPCLYTSSUXRY-WDEREUQCSA-N 1 0 376.404 1.882 20 0 GDADRO CCn1c(CNCC[N@@H+]2CC[C@H](O)C2)nc(Br)c1Br ZINC000922297750 656466539 /nfs/dbraw/zinc/46/65/39/656466539.db2.gz DBYBUXOCBIHNDS-VIFPVBQESA-N 1 0 396.127 1.584 20 0 GDADRO O=C(NC1CCN(c2nccs2)CC1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922337879 656468987 /nfs/dbraw/zinc/46/89/87/656468987.db2.gz LVZYLQMQBCWAJY-GJZGRUSLSA-N 1 0 381.571 1.991 20 0 GDADRO O=C(NC1CCN(c2nccs2)CC1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922337881 656469033 /nfs/dbraw/zinc/46/90/33/656469033.db2.gz LVZYLQMQBCWAJY-LSDHHAIUSA-N 1 0 381.571 1.991 20 0 GDADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc(N)nc(Br)c3)C2)CC1 ZINC000874462739 656472299 /nfs/dbraw/zinc/47/22/99/656472299.db2.gz YPDLVWZDSRFMOS-GFCCVEGCSA-N 1 0 382.306 1.325 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3nc(Br)nn3C)C2)[C@@H]1C(C)C ZINC000922392992 656474144 /nfs/dbraw/zinc/47/41/44/656474144.db2.gz ISJBVLVVAPUHEO-UNIGVISCSA-N 1 0 386.338 1.537 20 0 GDADRO Cc1nn2c(C[NH2+]CCNS(=O)(=O)Cc3ccccc3)c(C)nc2s1 ZINC000922484080 656482053 /nfs/dbraw/zinc/48/20/53/656482053.db2.gz GVAXOLJBEDQCIT-UHFFFAOYSA-N 1 0 379.511 1.617 20 0 GDADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000874821577 656489300 /nfs/dbraw/zinc/48/93/00/656489300.db2.gz BUWNZLYONWQPNO-UONOGXRCSA-N 1 0 391.273 1.734 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)sc1S(N)(=O)=O ZINC000874829783 656490078 /nfs/dbraw/zinc/49/00/78/656490078.db2.gz OCGRTQXQCIDKEU-UWVGGRQHSA-N 1 0 377.919 1.666 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 ZINC000922618343 656496403 /nfs/dbraw/zinc/49/64/03/656496403.db2.gz KWWYHADAWMHYCN-XHDPSFHLSA-N 1 0 386.461 1.328 20 0 GDADRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000922637445 656498837 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C[NH+]1CCC(CNC(=O)NCc2cnc(Cl)s2)(N2CCOCC2)CC1 ZINC000922872468 656513382 /nfs/dbraw/zinc/51/33/82/656513382.db2.gz LESFCODZDMDNRA-UHFFFAOYSA-N 1 0 387.937 1.392 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1ncc(Br)s1)C(C)(C)C[NH+](C)C ZINC000875272355 656526356 /nfs/dbraw/zinc/52/63/56/656526356.db2.gz DCTGMVIUNAIZFU-VIFPVBQESA-N 1 0 391.335 1.614 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCc2nc(C(F)(F)F)cs2)C1 ZINC000875325265 656530323 /nfs/dbraw/zinc/53/03/23/656530323.db2.gz PTRGFUSTWVJBRW-JTQLQIEISA-N 1 0 380.436 1.849 20 0 GDADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000923258551 656540392 /nfs/dbraw/zinc/54/03/92/656540392.db2.gz JFNBVWOOWSNXHK-QWHCGFSZSA-N 1 0 391.273 1.734 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000875444652 656540916 /nfs/dbraw/zinc/54/09/16/656540916.db2.gz KOWGIKCPAMRAPZ-CABCVRRESA-N 1 0 395.301 1.593 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000923296362 656543352 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20 0 GDADRO O=S1(=O)C[C@H]2[C@@H](C1)[NH2+]CCN2Cc1cccc(Cl)c1Br ZINC000923523393 656559085 /nfs/dbraw/zinc/55/90/85/656559085.db2.gz BMTMMWVAMLMGNE-NEPJUHHUSA-N 1 0 379.707 1.673 20 0 GDADRO O=S1(=O)C[C@H]2[C@@H](C1)[NH2+]CCN2Cc1nc(-c2c(F)cccc2F)cs1 ZINC000923522757 656559117 /nfs/dbraw/zinc/55/91/17/656559117.db2.gz OSWAEHNZHBGLOR-KGLIPLIRSA-N 1 0 385.461 1.659 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1cnc(Br)cn1 ZINC000923537022 656566199 /nfs/dbraw/zinc/56/61/99/656566199.db2.gz RDLJEUFDAZXJFT-LBPRGKRZSA-N 1 0 398.305 1.634 20 0 GDADRO CCC[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)C(=O)N1CCc2sccc2C1 ZINC000923603991 656575634 /nfs/dbraw/zinc/57/56/34/656575634.db2.gz RFNZYCYSYIIEHA-GJZGRUSLSA-N 1 0 385.555 1.473 20 0 GDADRO CCC[C@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2sccc2C1 ZINC000923603990 656575762 /nfs/dbraw/zinc/57/57/62/656575762.db2.gz RFNZYCYSYIIEHA-CABCVRRESA-N 1 0 385.555 1.473 20 0 GDADRO O=S(=O)(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000923613121 656577507 /nfs/dbraw/zinc/57/75/07/656577507.db2.gz BTWAZEZKZOAYTI-TZMCWYRMSA-N 1 0 382.404 1.117 20 0 GDADRO O=C(NCc1ccc(Br)cn1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000876216657 656580545 /nfs/dbraw/zinc/58/05/45/656580545.db2.gz NLORELZVPPPIIX-GJZGRUSLSA-N 1 0 383.290 1.585 20 0 GDADRO O=S(=O)(N[C@H]1COc2cccc(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000923667830 656581295 /nfs/dbraw/zinc/58/12/95/656581295.db2.gz BKFCVEWMIMDCNZ-GHMZBOCLSA-N 1 0 375.288 1.424 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000876227848 656581330 /nfs/dbraw/zinc/58/13/30/656581330.db2.gz ICSDTEUOIQAHTA-MEDUHNTESA-N 1 0 386.290 1.364 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2COc3cccc(Br)c3C2)C1 ZINC000876227581 656581338 /nfs/dbraw/zinc/58/13/38/656581338.db2.gz FFDUVTMILQGOJE-ZBEGNZNMSA-N 1 0 384.274 1.118 20 0 GDADRO O=C1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2F)CC12CC[NH2+]CC2 ZINC000923682135 656584069 /nfs/dbraw/zinc/58/40/69/656584069.db2.gz DCEULEVBJYFFAY-JTQLQIEISA-N 1 0 376.837 1.443 20 0 GDADRO O=C1O[C@H](CNS(=O)(=O)Cc2cc(Cl)ccc2F)CC12CC[NH2+]CC2 ZINC000923682691 656584547 /nfs/dbraw/zinc/58/45/47/656584547.db2.gz FFWKEGNFHWASMF-ZDUSSCGKSA-N 1 0 390.864 1.584 20 0 GDADRO O=S(=O)(NCCCCCN1CC[NH2+]CC1)c1c(Cl)nc2ccccn21 ZINC000923682953 656584690 /nfs/dbraw/zinc/58/46/90/656584690.db2.gz WHBJBUFWLHIZBN-UHFFFAOYSA-N 1 0 385.921 1.342 20 0 GDADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1occc1Br)CC2 ZINC000923689058 656588953 /nfs/dbraw/zinc/58/89/53/656588953.db2.gz WMHWJIFYKZYGFK-JTQLQIEISA-N 1 0 379.276 1.561 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000923696330 656591642 /nfs/dbraw/zinc/59/16/42/656591642.db2.gz AHNSSQUOEVCTLM-SECBINFHSA-N 1 0 381.267 1.956 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000923699570 656592618 /nfs/dbraw/zinc/59/26/18/656592618.db2.gz NTSRUSHVHABLPQ-SNVBAGLBSA-N 1 0 388.291 1.160 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1F ZINC000923714485 656594442 /nfs/dbraw/zinc/59/44/42/656594442.db2.gz DMMVQMMXNYMZJZ-VHSXEESVSA-N 1 0 376.837 1.496 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923719353 656594991 /nfs/dbraw/zinc/59/49/91/656594991.db2.gz KJPGIGWEPCZJGB-VHSXEESVSA-N 1 0 393.278 1.827 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000923736582 656596342 /nfs/dbraw/zinc/59/63/42/656596342.db2.gz RVIXAJMMYHOVDY-KRWDZBQOSA-N 1 0 386.539 1.614 20 0 GDADRO C[C@H](CCNC(=O)NCc1c(I)cnn1C)[NH+](C)C ZINC000876301223 656596601 /nfs/dbraw/zinc/59/66/01/656596601.db2.gz WZAROAVHLZQWEE-SECBINFHSA-N 1 0 379.246 1.164 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)ccc1C ZINC000876549091 656612201 /nfs/dbraw/zinc/61/22/01/656612201.db2.gz FVIZLXCASKBKQF-JSGCOSHPSA-N 1 0 375.441 1.804 20 0 GDADRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000876557667 656613423 /nfs/dbraw/zinc/61/34/23/656613423.db2.gz CLQZYKOBMOTZCY-IUODEOHRSA-N 1 0 389.880 1.121 20 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ZINC000876648830 656621601 /nfs/dbraw/zinc/62/16/01/656621601.db2.gz XDJWZFTUPSYSQF-WFASDCNBSA-N 1 0 391.534 1.385 20 0 GDADRO O=C(NC[C@@H]1CSCCS1)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000876665559 656622942 /nfs/dbraw/zinc/62/29/42/656622942.db2.gz XTGBVTFIVFNAEI-SNVBAGLBSA-N 1 0 377.486 1.719 20 0 GDADRO CNS(=O)(=O)[C@H]1CC[N@H+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000876815120 656633772 /nfs/dbraw/zinc/63/37/72/656633772.db2.gz UZLCUCOXADNYGU-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO O=C(c1nc(Br)sc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876847455 656634917 /nfs/dbraw/zinc/63/49/17/656634917.db2.gz LCNIPSRPANJCPZ-QMMMGPOBSA-N 1 0 379.711 1.679 20 0 GDADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000876847825 656635631 /nfs/dbraw/zinc/63/56/31/656635631.db2.gz ZKLZBTZCRGWAJN-MJBXVCDLSA-N 1 0 376.400 1.213 20 0 GDADRO Nc1cc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc(Br)n1 ZINC000876918220 656639901 /nfs/dbraw/zinc/63/99/01/656639901.db2.gz 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380.290 1.461 20 0 GDADRO COC[C@@H]([NH2+]Cc1c(I)cnn1C)[C@H]1CCCOC1 ZINC000883243819 657278945 /nfs/dbraw/zinc/27/89/45/657278945.db2.gz YIJFMCYRVIAJEQ-CMPLNLGQSA-N 1 0 379.242 1.556 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438196 657281254 /nfs/dbraw/zinc/28/12/54/657281254.db2.gz UHJVLUNYMSJTGN-AWEZNQCLSA-N 1 0 379.320 1.272 20 0 GDADRO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000883306965 657281557 /nfs/dbraw/zinc/28/15/57/657281557.db2.gz JGUWLUBRHZEYEH-RHSMWYFYSA-N 1 0 386.539 1.844 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883358228 657283379 /nfs/dbraw/zinc/28/33/79/657283379.db2.gz GDYTTXVQFQPTNK-GZMMTYOYSA-N 1 0 376.347 1.804 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000933491328 657283931 /nfs/dbraw/zinc/28/39/31/657283931.db2.gz LPJHOFZSSNMITR-CQSZACIVSA-N 1 0 398.301 1.959 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)ccc21 ZINC000883470024 657288560 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1.988 20 0 GDADRO O=C(CC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)Nc1ccccc1Br ZINC000933730322 657302975 /nfs/dbraw/zinc/30/29/75/657302975.db2.gz UVBYMJYODMPFDL-TXEJJXNPSA-N 1 0 387.299 1.754 20 0 GDADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884039630 657321505 /nfs/dbraw/zinc/32/15/05/657321505.db2.gz UZBKFVMRAHJOJF-IPYPFGDCSA-N 1 0 379.254 1.884 20 0 GDADRO COCC[C@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000884096032 657324433 /nfs/dbraw/zinc/32/44/33/657324433.db2.gz HVJGCXBULODVIS-HNNXBMFYSA-N 1 0 385.302 1.977 20 0 GDADRO COCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000884114933 657326402 /nfs/dbraw/zinc/32/64/02/657326402.db2.gz DORACSXNAAEOHX-OAHLLOKOSA-N 1 0 398.301 1.990 20 0 GDADRO CN1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@H+](C)CC1 ZINC000933993868 657331475 /nfs/dbraw/zinc/33/14/75/657331475.db2.gz QTTMDAMTNCUWCD-INIZCTEOSA-N 1 0 376.328 1.912 20 0 GDADRO COCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000884230669 657337237 /nfs/dbraw/zinc/33/72/37/657337237.db2.gz XIXDDYZIKDXTGI-JQWIXIFHSA-N 1 0 380.798 1.813 20 0 GDADRO O=C(c1cnn2cccc(Br)c12)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000934223742 657345654 /nfs/dbraw/zinc/34/56/54/657345654.db2.gz YTIUNVHMFWNLAJ-ZDUSSCGKSA-N 1 0 393.285 1.891 20 0 GDADRO COC(=O)CCN1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[C@@H]1C ZINC000884331891 657347820 /nfs/dbraw/zinc/34/78/20/657347820.db2.gz ZSQUBBJVCBFCAA-BLLLJJGKSA-N 1 0 398.301 1.545 20 0 GDADRO COCC[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000884334940 657348263 /nfs/dbraw/zinc/34/82/63/657348263.db2.gz GELAUTQVWSIMNU-KBPBESRZSA-N 1 0 397.324 1.949 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000884342814 657349122 /nfs/dbraw/zinc/34/91/22/657349122.db2.gz KYFOTCFUJSWOQC-SWLSCSKDSA-N 1 0 385.306 1.470 20 0 GDADRO CC1(C)[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C[C@@H]1[NH3+] ZINC000884348860 657349581 /nfs/dbraw/zinc/34/95/81/657349581.db2.gz IMVQOWVEWOIUHK-LSDHHAIUSA-N 1 0 385.917 1.980 20 0 GDADRO Cn1ncc(I)c1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934271377 657349688 /nfs/dbraw/zinc/34/96/88/657349688.db2.gz GMJCELHYMKDVLH-QWHCGFSZSA-N 1 0 390.269 1.056 20 0 GDADRO CC1(C)[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)C[C@@H]1[NH3+] ZINC000884353897 657349917 /nfs/dbraw/zinc/34/99/17/657349917.db2.gz IJQPWQOEUCSCJE-NWDGAFQWSA-N 1 0 389.568 1.341 20 0 GDADRO C[C@H]1CSCCC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000934299103 657351460 /nfs/dbraw/zinc/35/14/60/657351460.db2.gz CRPBTVBQJUYQPD-AWEZNQCLSA-N 1 0 385.555 1.210 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(S(N)(=O)=O)oc1Cl ZINC000934358917 657354866 /nfs/dbraw/zinc/35/48/66/657354866.db2.gz DAFGMXKCGHWURH-UHFFFAOYSA-N 1 0 391.902 1.846 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cs1)C(N)=O ZINC000884443963 657356977 /nfs/dbraw/zinc/35/69/77/657356977.db2.gz VAMQCTVBXXNXRH-AFAVFJNCSA-N 1 0 382.555 1.500 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2c(Br)cnn2C2CC2)[C@H](C)C1 ZINC000934374862 657358698 /nfs/dbraw/zinc/35/86/98/657358698.db2.gz POTULEOEJHYULO-MNOVXSKESA-N 1 0 386.294 1.899 20 0 GDADRO CC1(C)CC[C@H](CNC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)[NH2+]C1 ZINC000884455918 657358800 /nfs/dbraw/zinc/35/88/00/657358800.db2.gz WSOFLACBFFXDRO-QWHCGFSZSA-N 1 0 385.555 1.482 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cn2ncnc12 ZINC000934389772 657359739 /nfs/dbraw/zinc/35/97/39/657359739.db2.gz WHGFCJZGWXCQPX-LBPRGKRZSA-N 1 0 384.278 1.578 20 0 GDADRO CCN(C(=O)C(=O)NCc1ccc(Br)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000884486255 657360896 /nfs/dbraw/zinc/36/08/96/657360896.db2.gz ROXHYGMZJZEUMO-LBPRGKRZSA-N 1 0 388.693 1.929 20 0 GDADRO Cc1cnc([C@H](C)CNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000884494070 657360911 /nfs/dbraw/zinc/36/09/11/657360911.db2.gz JVQDGQPMNDCNQK-MIMYLULJSA-N 1 0 378.420 1.267 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccs1 ZINC000884488633 657360947 /nfs/dbraw/zinc/36/09/47/657360947.db2.gz BRJOIPWQTVJOBL-QWRGUYRKSA-N 1 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ZINC000884677878 657370567 /nfs/dbraw/zinc/37/05/67/657370567.db2.gz IMXHFPMVQLCBKB-HNNXBMFYSA-N 1 0 376.254 1.697 20 0 GDADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884681595 657370932 /nfs/dbraw/zinc/37/09/32/657370932.db2.gz ZZDLHMSJNNMZLD-SECBINFHSA-N 1 0 378.782 1.486 20 0 GDADRO O=C(NCc1c(Cl)cccc1OC(F)F)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884680889 657370959 /nfs/dbraw/zinc/37/09/59/657370959.db2.gz DREUKPTZPXXNSK-SNVBAGLBSA-N 1 0 375.803 1.673 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000884683658 657371222 /nfs/dbraw/zinc/37/12/22/657371222.db2.gz KOUVWKXIOFCFCI-TZMCWYRMSA-N 1 0 382.302 1.878 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C1 ZINC000884685870 657371319 /nfs/dbraw/zinc/37/13/19/657371319.db2.gz RVLLGSOXVVUOJV-NXEZZACHSA-N 1 0 375.803 1.944 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC000884688122 657372175 /nfs/dbraw/zinc/37/21/75/657372175.db2.gz SZFBXCTUINUHRR-UHFFFAOYSA-N 1 0 378.270 1.944 20 0 GDADRO COC[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)c1cccc(Br)c1 ZINC000884689875 657372614 /nfs/dbraw/zinc/37/26/14/657372614.db2.gz BQSQNBXRNAWJFW-CQSZACIVSA-N 1 0 384.274 1.121 20 0 GDADRO COC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1cccc(Br)c1 ZINC000884701825 657373802 /nfs/dbraw/zinc/37/38/02/657373802.db2.gz PTNAOKZTQTZOBS-KBPBESRZSA-N 1 0 386.290 1.352 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000884720477 657375322 /nfs/dbraw/zinc/37/53/22/657375322.db2.gz NXHWRIRTQZSYPM-GZMMTYOYSA-N 1 0 378.782 1.484 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C1 ZINC000884724371 657375934 /nfs/dbraw/zinc/37/59/34/657375934.db2.gz QPJZJJKYVLZBSZ-UWVGGRQHSA-N 1 0 375.803 1.801 20 0 GDADRO O=C(NCCc1sccc1Br)C(=O)NCCC1=CC[NH2+]CC1 ZINC000884723137 657376010 /nfs/dbraw/zinc/37/60/10/657376010.db2.gz ZJHWEBVKZDBIKR-UHFFFAOYSA-N 1 0 386.315 1.595 20 0 GDADRO O=C1CC[C@H](C[NH2+][C@H](CO)c2ccccc2I)CCN1 ZINC000934827087 657380431 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/nfs/dbraw/zinc/91/81/30/658918130.db2.gz VWGGHPSCQZQQDG-QMMMGPOBSA-N 1 0 376.770 1.956 20 0 GDADRO Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898372826 658929432 /nfs/dbraw/zinc/92/94/32/658929432.db2.gz XPMGWELXTWFHMI-MRVPVSSYSA-N 1 0 376.770 1.956 20 0 GDADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCc1ncc(Br)cn1 ZINC000898382316 658930062 /nfs/dbraw/zinc/93/00/62/658930062.db2.gz VYSKNGXXECZPHH-UHFFFAOYSA-N 1 0 398.305 1.493 20 0 GDADRO CN(C)[S@](C)(=O)=NCC1CC[NH+]([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000898397829 658933438 /nfs/dbraw/zinc/93/34/38/658933438.db2.gz DSTQMTPDDYCWSO-WHEFHEQHSA-N 1 0 377.526 1.907 20 0 GDADRO CCN(C(=O)c1c(C)[nH]nc1I)[C@@H]1CC[N@H+](CC)C1 ZINC000898676260 658944847 /nfs/dbraw/zinc/94/48/47/658944847.db2.gz YSZBCJXQHVAYQG-SNVBAGLBSA-N 1 0 376.242 1.879 20 0 GDADRO Cn1ncc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1I ZINC000898829524 658961006 /nfs/dbraw/zinc/96/10/06/658961006.db2.gz KZSKUYVRYLSYAG-MNOVXSKESA-N 1 0 388.253 1.627 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC000898846219 658961646 /nfs/dbraw/zinc/96/16/46/658961646.db2.gz RUQSGYJBDOLSNW-CABCVRRESA-N 1 0 385.917 1.851 20 0 GDADRO O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899182961 658992308 /nfs/dbraw/zinc/99/23/08/658992308.db2.gz CNQQXZGOTMDSKO-MXASKKJJSA-N 1 0 377.282 1.924 20 0 GDADRO O=C(c1cc(=O)[nH]cc1Br)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000899212950 658996216 /nfs/dbraw/zinc/99/62/16/658996216.db2.gz ZVVVAGBAHONHTG-UHFFFAOYSA-N 1 0 384.274 1.516 20 0 GDADRO O=C1Cc2cc(Br)ccc2S(=O)(=O)N1C[C@H]1CCCC[NH2+]C1 ZINC000899630260 659037664 /nfs/dbraw/zinc/03/76/64/659037664.db2.gz RYYMTKLYONCWRA-NSHDSACASA-N 1 0 387.299 1.912 20 0 GDADRO [NH3+]C1CCN(CCc2cn(-c3ccccc3I)nn2)CC1 ZINC000899745835 659058282 /nfs/dbraw/zinc/05/82/82/659058282.db2.gz QACOVZCCFHTQSA-UHFFFAOYSA-N 1 0 397.264 1.838 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CCOCC(F)(F)F)CCC1 ZINC000899867739 659062343 /nfs/dbraw/zinc/06/23/43/659062343.db2.gz YGYGZDCTMMNURR-LLVKDONJSA-N 1 0 376.441 1.156 20 0 GDADRO CC[NH+]1CCC(NC(=O)Cn2nc(Br)c(Br)n2)CC1 ZINC000900010521 659083407 /nfs/dbraw/zinc/08/34/07/659083407.db2.gz ZYWMOXVQHBVAMX-UHFFFAOYSA-N 1 0 395.099 1.404 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)c2cc3ncc(Br)cn3n2)C[C@H](C)O1 ZINC000900055329 659084841 /nfs/dbraw/zinc/08/48/41/659084841.db2.gz BXIQFMNNHGIYEK-RYUDHWBXSA-N 1 0 396.289 1.721 20 0 GDADRO C[N@@H+]1CCCN(CCCNC(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000900694227 659137292 /nfs/dbraw/zinc/13/72/92/659137292.db2.gz AZXBIMSJYBMQLC-INIZCTEOSA-N 1 0 384.318 1.626 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000900695760 659138278 /nfs/dbraw/zinc/13/82/78/659138278.db2.gz PDZJRSZUZCLTFY-YOEHRIQHSA-N 1 0 398.345 1.872 20 0 GDADRO CCn1c(Br)ncc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000900760009 659143625 /nfs/dbraw/zinc/14/36/25/659143625.db2.gz RAZPPYIAHCVRTP-GFCCVEGCSA-N 1 0 385.306 1.896 20 0 GDADRO C[C@H](NC(=O)c1cn2ccc(Br)cc2n1)[C@@H]1C[N@H+](C)CCN1C ZINC000900801653 659147172 /nfs/dbraw/zinc/14/71/72/659147172.db2.gz DSWZHNNAXZVJOF-FZMZJTMJSA-N 1 0 380.290 1.461 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000900829907 659151340 /nfs/dbraw/zinc/15/13/40/659151340.db2.gz YMPGDBLRZWXDLH-QMTHXVAHSA-N 1 0 381.782 1.704 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)C1 ZINC000900885090 659156825 /nfs/dbraw/zinc/15/68/25/659156825.db2.gz JEWLEPXPYVRGBY-AWEZNQCLSA-N 1 0 385.555 1.616 20 0 GDADRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2c(Br)cnn2C)C[C@@H](C)O1 ZINC000900979353 659176727 /nfs/dbraw/zinc/17/67/27/659176727.db2.gz AQIXQVXIVIYXTE-CHWSQXEVSA-N 1 0 387.322 1.731 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000901057372 659184606 /nfs/dbraw/zinc/18/46/06/659184606.db2.gz GZMVFXSWXFVIHU-HNNXBMFYSA-N 1 0 385.302 1.834 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)CC[C@@H]21 ZINC000901105920 659190367 /nfs/dbraw/zinc/19/03/67/659190367.db2.gz VPCPTERFHYZERA-CJNGLKHVSA-N 1 0 383.539 1.369 20 0 GDADRO O=C(COCCc1ccc(Br)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000901136051 659195236 /nfs/dbraw/zinc/19/52/36/659195236.db2.gz YKBGOHGWGIBRRQ-KRWDZBQOSA-N 1 0 399.329 1.971 20 0 GDADRO CC[NH+]1CCC(NC(=O)Cn2cc(Br)c3cccnc3c2=O)CC1 ZINC000902907909 659283651 /nfs/dbraw/zinc/28/36/51/659283651.db2.gz SWCYNWYDMDVAHS-UHFFFAOYSA-N 1 0 393.285 1.760 20 0 GDADRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903152692 659297532 /nfs/dbraw/zinc/29/75/32/659297532.db2.gz PKYZROPTZXYXJV-SECBINFHSA-N 1 0 379.360 1.183 20 0 GDADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000903156604 659297711 /nfs/dbraw/zinc/29/77/11/659297711.db2.gz VQOCUHXUOGFWHG-VQCLRJIVSA-N 1 0 388.555 1.849 20 0 GDADRO C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903187235 659299344 /nfs/dbraw/zinc/29/93/44/659299344.db2.gz YWCDVDQSOOOAGW-PWSUYJOCSA-N 1 0 378.376 1.283 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903212199 659303063 /nfs/dbraw/zinc/30/30/63/659303063.db2.gz LCFQXXVPHFFDHK-SNVBAGLBSA-N 1 0 388.433 1.570 20 0 GDADRO CN1CCOC[C@]1(CO)C[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000903279765 659311824 /nfs/dbraw/zinc/31/18/24/659311824.db2.gz RZRQWHVLDFIOMI-TZMCWYRMSA-N 1 0 376.320 1.639 20 0 GDADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@]1(CO)COCCN1C ZINC000903281570 659312177 /nfs/dbraw/zinc/31/21/77/659312177.db2.gz YLVXIGXXIGIVAD-NHYWBVRUSA-N 1 0 381.826 1.968 20 0 GDADRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CCS(=O)(=O)C1 ZINC000903365910 659314122 /nfs/dbraw/zinc/31/41/22/659314122.db2.gz AQOPIVNDZHQKRR-XHDPSFHLSA-N 1 0 397.465 1.537 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000903492629 659317987 /nfs/dbraw/zinc/31/79/87/659317987.db2.gz ICAACDYRXYTALK-SYEQVDHESA-N 1 0 396.285 1.188 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903517145 659324765 /nfs/dbraw/zinc/32/47/65/659324765.db2.gz BQVYWLZQEQVALS-BXKDBHETSA-N 1 0 391.287 1.595 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903519324 659326882 /nfs/dbraw/zinc/32/68/82/659326882.db2.gz XXDSCFUUGSHCDS-PHIMTYICSA-N 1 0 389.271 1.159 20 0 GDADRO [NH3+]CC1(NS(=O)(=O)Cc2cccc(F)c2Br)CCOCC1 ZINC000903525558 659329469 /nfs/dbraw/zinc/32/94/69/659329469.db2.gz VNCMBIYYNWQJRD-UHFFFAOYSA-N 1 0 381.267 1.516 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c1 ZINC000903541849 659334268 /nfs/dbraw/zinc/33/42/68/659334268.db2.gz DFTXTPOQALYJDF-UHFFFAOYSA-N 1 0 389.905 1.170 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1c(Cl)ccnc1Cl ZINC000903545006 659335923 /nfs/dbraw/zinc/33/59/23/659335923.db2.gz SINFYMGPGJLUBF-SNVBAGLBSA-N 1 0 380.297 1.825 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1c(Cl)nc2ccccn21 ZINC000903545528 659336237 /nfs/dbraw/zinc/33/62/37/659336237.db2.gz SMRWPIYWQXENIA-GFCCVEGCSA-N 1 0 384.889 1.425 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1F ZINC000903549078 659337920 /nfs/dbraw/zinc/33/79/20/659337920.db2.gz VEFUAEPXJPJONS-NXEZZACHSA-N 1 0 378.853 1.790 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]CC2(C)C)s1 ZINC000903554074 659339420 /nfs/dbraw/zinc/33/94/20/659339420.db2.gz MGQQTCHLOAHXNE-SECBINFHSA-N 1 0 397.316 1.574 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000903564971 659342487 /nfs/dbraw/zinc/34/24/87/659342487.db2.gz ARJMZAABDKOISH-UHFFFAOYSA-N 1 0 396.738 1.804 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)s1 ZINC000903564102 659342495 /nfs/dbraw/zinc/34/24/95/659342495.db2.gz PFBCTSVFAPEWJQ-BWVDBABLSA-N 1 0 395.300 1.468 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000903569330 659343739 /nfs/dbraw/zinc/34/37/39/659343739.db2.gz IGUGBRSXNKJZPI-DAXOMENPSA-N 1 0 385.917 1.601 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1C ZINC000903570157 659344309 /nfs/dbraw/zinc/34/43/09/659344309.db2.gz SWJJGGHPBNWSKG-CHWSQXEVSA-N 1 0 382.404 1.530 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)C1 ZINC000903569841 659344329 /nfs/dbraw/zinc/34/43/29/659344329.db2.gz RNMJMRLQTKEVGF-XWEPSHTISA-N 1 0 393.694 1.766 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2cc3c(cc2Br)OCCO3)C1 ZINC000903571048 659344642 /nfs/dbraw/zinc/34/46/42/659344642.db2.gz OOOSNHBMFMTPIQ-KYZUINATSA-N 1 0 377.260 1.236 20 0 GDADRO O=C(c1ccccc1Cl)C1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000903572154 659345200 /nfs/dbraw/zinc/34/52/00/659345200.db2.gz XGRWISKMZOWVDM-AWEZNQCLSA-N 1 0 386.901 1.553 20 0 GDADRO CN1CCCc2ccc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)cc21 ZINC000903578118 659348889 /nfs/dbraw/zinc/34/88/89/659348889.db2.gz BXIWTNUNQUMVSD-KBPBESRZSA-N 1 0 377.432 1.969 20 0 GDADRO COC(=O)c1ccccc1CS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903578039 659348920 /nfs/dbraw/zinc/34/89/20/659348920.db2.gz AVVDUHIFVLLKSJ-OLZOCXBDSA-N 1 0 380.388 1.515 20 0 GDADRO COC(=O)c1ccc(C)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903578262 659349186 /nfs/dbraw/zinc/34/91/86/659349186.db2.gz DUBBGFYHSHAHBW-NEPJUHHUSA-N 1 0 380.388 1.682 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C2 ZINC000903578742 659349860 /nfs/dbraw/zinc/34/98/60/659349860.db2.gz FOVWDUOPXWNSHV-DCAQKATOSA-N 1 0 398.428 1.480 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903581767 659352195 /nfs/dbraw/zinc/35/21/95/659352195.db2.gz ZETSJTAWDKLJTA-HTRCEHHLSA-N 1 0 380.314 1.339 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903584728 659353745 /nfs/dbraw/zinc/35/37/45/659353745.db2.gz QWOSKQGCQYVPEW-LLVKDONJSA-N 1 0 381.267 1.955 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000903586016 659354162 /nfs/dbraw/zinc/35/41/62/659354162.db2.gz BXEKNGOJHLQVAR-LBPRGKRZSA-N 1 0 380.388 1.850 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1C(F)(F)F ZINC000903587025 659354645 /nfs/dbraw/zinc/35/46/45/659354645.db2.gz NLFDXHSUMINZMI-LBPRGKRZSA-N 1 0 380.388 1.850 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc1Cl ZINC000903587748 659354960 /nfs/dbraw/zinc/35/49/60/659354960.db2.gz AVYANDXYIJCHNP-ZUZCIYMTSA-N 1 0 375.853 1.939 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903587637 659355116 /nfs/dbraw/zinc/35/51/16/659355116.db2.gz YREJPGWYYAIOLB-ZDUSSCGKSA-N 1 0 377.304 1.957 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903588794 659355458 /nfs/dbraw/zinc/35/54/58/659355458.db2.gz KHYNRXNFOAGHKO-WFASDCNBSA-N 1 0 392.930 1.387 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1cccc(I)c1 ZINC000903588756 659355485 /nfs/dbraw/zinc/35/54/85/659355485.db2.gz JXQJJDTVSPFBKY-GXFFZTMASA-N 1 0 392.262 1.793 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000903589499 659355866 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GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903791668 659380855 /nfs/dbraw/zinc/38/08/55/659380855.db2.gz JDJGIOYIDNQSPH-PWSUYJOCSA-N 1 0 398.276 1.669 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C[C@H](C)[NH2+]1 ZINC000903798370 659381094 /nfs/dbraw/zinc/38/10/94/659381094.db2.gz BGEBZGXTZWFILJ-ZOWXZIJZSA-N 1 0 395.301 1.716 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000903831169 659382876 /nfs/dbraw/zinc/38/28/76/659382876.db2.gz OPMTXADYPSZSCL-AWEZNQCLSA-N 1 0 391.331 1.533 20 0 GDADRO COC[C@H]1C[NH2+]CCN1CC(=O)Nc1cccc(I)c1 ZINC000903874757 659385935 /nfs/dbraw/zinc/38/59/35/659385935.db2.gz IZSRNUSYWUBKAT-CYBMUJFWSA-N 1 0 389.237 1.150 20 0 GDADRO Brc1cnn(C2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903908288 659389184 /nfs/dbraw/zinc/38/91/84/659389184.db2.gz GDDXORFIGOBLTD-OAHLLOKOSA-N 1 0 394.321 1.999 20 0 GDADRO [NH3+][C@H](CC(F)F)CN1CCN(c2ncc(I)cn2)CC1 ZINC000903935061 659389926 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20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000904359127 659399885 /nfs/dbraw/zinc/39/98/85/659399885.db2.gz DJILVIXZVSKVTD-AWEZNQCLSA-N 1 0 389.905 1.883 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(CN3c4cccc(Br)c4C(=O)C3=O)C[C@]2(C)C1 ZINC000904436404 659400800 /nfs/dbraw/zinc/40/08/00/659400800.db2.gz KMZXFBRFENPBDS-DIFFPNOSSA-N 1 0 378.270 1.819 20 0 GDADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cn1nc(Br)c(=O)c3ccccc31)C2 ZINC000904439646 659401155 /nfs/dbraw/zinc/40/11/55/659401155.db2.gz PXENFIHFENLNEV-GTNSWQLSSA-N 1 0 391.269 1.704 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000904469391 659401938 /nfs/dbraw/zinc/40/19/38/659401938.db2.gz LMHCAFNTIPTGRU-ZDUSSCGKSA-N 1 0 398.305 1.800 20 0 GDADRO NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)n3c2C[NH2+]CC3)cc1Cl ZINC000904832046 659409538 /nfs/dbraw/zinc/40/95/38/659409538.db2.gz UAZOIFBNTOLUHB-UHFFFAOYSA-N 1 0 380.779 1.973 20 0 GDADRO C[C@]12CSC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C2 ZINC000904959393 659414835 /nfs/dbraw/zinc/41/48/35/659414835.db2.gz FJRVUOACSRVANG-BLTAXRJOSA-N 1 0 379.448 1.184 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905016321 659417238 /nfs/dbraw/zinc/41/72/38/659417238.db2.gz ZJNBGVDVNHIIHA-OAHLLOKOSA-N 1 0 386.315 1.824 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CCOC2CCCCC2)CCC1 ZINC000905058694 659419684 /nfs/dbraw/zinc/41/96/84/659419684.db2.gz IRTLDXAUBHDEDN-INIZCTEOSA-N 1 0 376.563 1.927 20 0 GDADRO O=C(CC[NH2+]C[C@@H](O)C1(O)CCOCC1)Nc1ccc(Br)cc1 ZINC000905059207 659419859 /nfs/dbraw/zinc/41/98/59/659419859.db2.gz LORNCZRAWQVZKU-CQSZACIVSA-N 1 0 387.274 1.270 20 0 GDADRO O=C(NCCC[NH2+]C[C@H](O)C1(O)CCCC1)c1cccc(Br)c1 ZINC000905080856 659421384 /nfs/dbraw/zinc/42/13/84/659421384.db2.gz OEAKQBXSYOVCJD-HNNXBMFYSA-N 1 0 385.302 1.825 20 0 GDADRO Cc1nc(C)c(CC[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000905102985 659424091 /nfs/dbraw/zinc/42/40/91/659424091.db2.gz WEQUTKJOUFESSC-HNNXBMFYSA-N 1 0 389.587 1.894 20 0 GDADRO CCN1CCCC[C@H]1C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905105501 659424452 /nfs/dbraw/zinc/42/44/52/659424452.db2.gz KUNVGYCRFIOMKP-JKSUJKDBSA-N 1 0 375.579 1.452 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]C[C@H]2CSCCS2)CCC1 ZINC000905159903 659427581 /nfs/dbraw/zinc/42/75/81/659427581.db2.gz OPBBHLWWCLIZRW-STQMWFEESA-N 1 0 382.617 1.426 20 0 GDADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1(O)CCC1 ZINC000905177812 659429884 /nfs/dbraw/zinc/42/98/84/659429884.db2.gz RHIGWUISPFKPNS-MRXNPFEDSA-N 1 0 385.302 1.651 20 0 GDADRO C[C@](O)(C[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)C(F)F ZINC000905188229 659430962 /nfs/dbraw/zinc/43/09/62/659430962.db2.gz QFDORYNVTFIACO-INIZCTEOSA-N 1 0 380.432 1.975 20 0 GDADRO Cc1cc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)ccc1S(N)(=O)=O ZINC000905237705 659435789 /nfs/dbraw/zinc/43/57/89/659435789.db2.gz KEJSFPPLDHHQCH-NSHDSACASA-N 1 0 376.347 1.681 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)C1(O)CCCC1)c1ccc(F)cc1Cl ZINC000905252504 659437339 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GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000905543491 659463376 /nfs/dbraw/zinc/46/33/76/659463376.db2.gz OWQHPDQRVFZTCF-CABCVRRESA-N 1 0 388.555 1.326 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CCc1c(F)cc(O)cc1F ZINC000905626071 659470160 /nfs/dbraw/zinc/47/01/60/659470160.db2.gz QCTRAUXMHAKUMP-UHFFFAOYSA-N 1 0 379.425 1.559 20 0 GDADRO CC(=O)c1cccc(OC[C@@H](O)CNCc2ncc(Br)cn2)c1 ZINC000905667988 659473274 /nfs/dbraw/zinc/47/32/74/659473274.db2.gz KDEBUHHMORDHMC-AWEZNQCLSA-N 1 0 380.242 1.971 20 0 GDADRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000905701472 659477164 /nfs/dbraw/zinc/47/71/64/659477164.db2.gz DOAPKWUNZFHBPO-BPLDGKMQSA-N 1 0 387.274 1.521 20 0 GDADRO CC[NH+]1CCN(c2ccc(NS(=O)(=O)N=[S@](C)(=O)CC)c(C)c2)CC1 ZINC000906058290 659515084 /nfs/dbraw/zinc/51/50/84/659515084.db2.gz UGAAWSKSPWQJNU-XMMPIXPASA-N 1 0 388.559 1.911 20 0 GDADRO CC[NH+]1CCN(Cc2ccc(NS(=O)(=O)N=[S@@](C)(=O)CC)cc2)CC1 ZINC000906063047 659515589 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397.813 1.953 20 0 GDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)nc2[nH]cnc21 ZINC001164615310 719017217 /nfs/dbraw/zinc/01/72/17/719017217.db2.gz IHEMXRKUIRAIEL-CIUDSAMLSA-N 1 0 386.790 1.233 20 0 GDADRO CCn1nnc2c1[C@H](COC)CN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164662322 719361167 /nfs/dbraw/zinc/36/11/67/719361167.db2.gz ALRRRFAMNNPWJH-INIZCTEOSA-N 1 0 386.500 1.918 20 0 GDADRO C[NH+]1CCN(c2cccc(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@@H]43)n2)CC1 ZINC001164679023 719541119 /nfs/dbraw/zinc/54/11/19/719541119.db2.gz QIKRKCKMSPDIEW-CEXWTWQISA-N 1 0 399.539 1.440 20 0 GDADRO CNC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC001164707730 719901153 /nfs/dbraw/zinc/90/11/53/719901153.db2.gz WNHSSMGVFPFKEA-UHFFFAOYSA-N 1 0 387.509 1.769 20 0 GDADRO Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)cn1 ZINC001164709163 720072993 /nfs/dbraw/zinc/07/29/93/720072993.db2.gz BXUDXUAPSIKOPB-MSOLQXFVSA-N 1 0 396.495 1.674 20 0 GDADRO Cn1nnc2c1CCN(c1ncc(Cl)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164711845 720163429 /nfs/dbraw/zinc/16/34/29/720163429.db2.gz CUUMYTBSKJFISJ-HNNXBMFYSA-N 1 0 377.880 1.475 20 0 GDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccnc(-n3ccccc3=O)n1)C2 ZINC001164818118 720174926 /nfs/dbraw/zinc/17/49/26/720174926.db2.gz RUCONALWNIKDJH-PGRDOPGGSA-N 1 0 395.507 1.812 20 0 GDADRO CCOc1ccnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164715385 720177579 /nfs/dbraw/zinc/17/75/79/720177579.db2.gz AKMJYPMZHBPTAU-MRXNPFEDSA-N 1 0 387.488 1.220 20 0 GDADRO Cn1nnc2c1CCN(c1ncnc3c1CCCC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718298 720178479 /nfs/dbraw/zinc/17/84/79/720178479.db2.gz OGYFRIAGUFHDDA-LJQANCHMSA-N 1 0 397.527 1.700 20 0 GDADRO CC(C)c1nccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164715965 720185105 /nfs/dbraw/zinc/18/51/05/720185105.db2.gz FTQNCWFVMDPQDK-QGZVFWFLSA-N 1 0 385.516 1.945 20 0 GDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(NC3CC3)n2)CC1 ZINC001164817636 720285818 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ZINC001571262135 945434600 /nfs/dbraw/zinc/43/46/00/945434600.db2.gz NMBRRANONASNBK-ZWNOBZJWSA-N 1 0 385.453 1.279 20 0 GDADRO CC1(C)CC[C@@H](CC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)OC1 ZINC001571263093 945449501 /nfs/dbraw/zinc/44/95/01/945449501.db2.gz HEHUROTZXSYSFT-IHRRRGAJSA-N 1 0 385.472 1.338 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCOC1 ZINC001571263463 945459935 /nfs/dbraw/zinc/45/99/35/945459935.db2.gz QXRWYXRMQRDZIY-KUHUBIRLSA-N 1 0 385.472 1.151 20 0 GDADRO CC(=O)N1CCC([C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)CCO2)CC1 ZINC001571263563 945462116 /nfs/dbraw/zinc/46/21/16/945462116.db2.gz UALUJLXDELOOJU-MAUKXSAKSA-N 1 0 385.472 1.210 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@]2(CC[N@H+](CC3CCC3)C2)O1 ZINC001571264125 945475933 /nfs/dbraw/zinc/47/59/33/945475933.db2.gz GQBQQJWWFKIHQG-ORAYPTAESA-N 1 0 385.472 1.300 20 0 GDADRO CCC[C@@H]1C[C@H]1C(=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571264549 945486117 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SULQOHJAWNSGBX-GOEBONIOSA-N 1 0 385.472 1.197 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cnon1 ZINC001571267796 945580227 /nfs/dbraw/zinc/58/02/27/945580227.db2.gz FARPRLAQQXSFDC-OLZOCXBDSA-N 1 0 386.391 1.220 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1)c1cnon1 ZINC001571268440 945596664 /nfs/dbraw/zinc/59/66/64/945596664.db2.gz SDQIJLTWPRUACK-CYBMUJFWSA-N 1 0 386.391 1.173 20 0 GDADRO CC[C@@H]1CN(C(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000820989533 945605991 /nfs/dbraw/zinc/60/59/91/945605991.db2.gz VREBIAGMLREPTL-RHSMWYFYSA-N 1 0 387.488 1.680 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[N@@H+]1CCc1ccns1 ZINC001571271400 945644687 /nfs/dbraw/zinc/64/46/87/945644687.db2.gz BKPCATIIRLELMW-YPMHNXCESA-N 1 0 386.485 1.477 20 0 GDADRO CC(C)[C@H](C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[nH]n1)[NH+](C)C ZINC001571271634 945647003 /nfs/dbraw/zinc/64/70/03/945647003.db2.gz GDWONSAUJSLDOM-GDBMZVCRSA-N 1 0 386.504 1.641 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821188610 945649436 /nfs/dbraw/zinc/64/94/36/945649436.db2.gz AYBBSRPKEJZXKS-SFHVURJKSA-N 1 0 386.500 1.759 20 0 GDADRO Cc1csc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001571271786 945650416 /nfs/dbraw/zinc/65/04/16/945650416.db2.gz JSEUVIPXOCFTGD-NEPJUHHUSA-N 1 0 386.485 1.791 20 0 GDADRO Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)sn1 ZINC001571271792 945650846 /nfs/dbraw/zinc/65/08/46/945650846.db2.gz JSVBNLFPFGCPTR-RYUDHWBXSA-N 1 0 386.485 1.743 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCC(N(C)c2ncccc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001571272106 945655572 /nfs/dbraw/zinc/65/55/72/945655572.db2.gz PJRDVJYJUUXOPZ-INIZCTEOSA-N 1 0 386.504 1.275 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n(C)n1 ZINC001571272274 945658951 /nfs/dbraw/zinc/65/89/51/945658951.db2.gz QMSBDFFJHYKKOY-GFCCVEGCSA-N 1 0 386.485 1.365 20 0 GDADRO O=C(NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccc(Cl)[nH]1 ZINC001571274586 945696679 /nfs/dbraw/zinc/69/66/79/945696679.db2.gz IEEAUXPFKFUSCA-WDEREUQCSA-N 1 0 386.847 1.676 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC001571274610 945699373 /nfs/dbraw/zinc/69/93/73/945699373.db2.gz IWWDGJDMMHZLRN-HWPZZCPQSA-N 1 0 387.394 1.723 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001571276668 945735160 /nfs/dbraw/zinc/73/51/60/945735160.db2.gz IWBQHNQNXZZRLQ-GFCCVEGCSA-N 1 0 387.394 1.725 20 0 GDADRO C[C@@H]([NH2+]Cc1nncs1)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571280969 945794978 /nfs/dbraw/zinc/79/49/78/945794978.db2.gz AUUCTOXUDLOXEN-SNVBAGLBSA-N 1 0 387.473 1.077 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@H](C)C2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)o1 ZINC001571282104 945827496 /nfs/dbraw/zinc/82/74/96/945827496.db2.gz SWLJNMDKMLBXTJ-SECBINFHSA-N 1 0 387.469 1.783 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000821702056 945834462 /nfs/dbraw/zinc/83/44/62/945834462.db2.gz GIJOZDHPEMOBDS-UHFFFAOYSA-N 1 0 391.472 1.506 20 0 GDADRO CC(=O)N1CCOC2(CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC001573451137 945836617 /nfs/dbraw/zinc/83/66/17/945836617.db2.gz RTURIFHBNKINIG-UHFFFAOYSA-N 1 0 388.447 1.656 20 0 GDADRO CC(=O)N[C@](C)(C(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573455310 945882361 /nfs/dbraw/zinc/88/23/61/945882361.db2.gz CGTINOOQAMHNQI-YJYMSZOUSA-N 1 0 387.488 1.012 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](CC2CCCCCC2)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571284554 945902094 /nfs/dbraw/zinc/90/20/94/945902094.db2.gz QVEDOXRQYWOWIB-RDJZCZTQSA-N 1 0 387.488 1.330 20 0 GDADRO CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001571284704 945904570 /nfs/dbraw/zinc/90/45/70/945904570.db2.gz UFICATSETQECGN-JEYLPNPQSA-N 1 0 387.488 1.594 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)[C@@H]1CCOC1 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/nfs/dbraw/zinc/99/52/57/945995257.db2.gz UNCNMCCMQRYSMD-LSDHHAIUSA-N 1 0 388.447 1.465 20 0 GDADRO O=C([C@H]1CCOC1)N1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571289228 945997163 /nfs/dbraw/zinc/99/71/63/945997163.db2.gz XSCAMOOVQWQRHT-KBPBESRZSA-N 1 0 388.447 1.371 20 0 GDADRO O=C(C[C@@H]1CCCOC1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571289194 945997420 /nfs/dbraw/zinc/99/74/20/945997420.db2.gz WYYLXRBVUCDAOB-GJZGRUSLSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001571290007 946025230 /nfs/dbraw/zinc/02/52/30/946025230.db2.gz SIFXCSYJFOSUNZ-WQVCFCJDSA-N 1 0 388.472 1.888 20 0 GDADRO Cc1cc(NC[C@H]2CCN(C(=O)c3cc(Cl)no3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571290667 946051432 /nfs/dbraw/zinc/05/14/32/946051432.db2.gz LECODKVZNACEAW-SNVBAGLBSA-N 1 0 388.819 1.208 20 0 GDADRO Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000822431658 946089436 /nfs/dbraw/zinc/08/94/36/946089436.db2.gz DSGDQFCFPBTMEE-MAUKXSAKSA-N 1 0 382.472 1.521 20 0 GDADRO Cc1nc(CN2CCC[C@@H]([N@H+](C)C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000822441074 946091668 /nfs/dbraw/zinc/09/16/68/946091668.db2.gz RRNHQRBXFNDEMU-SJORKVTESA-N 1 0 398.471 1.188 20 0 GDADRO O=C(c1ncc(Cl)s1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571294402 946134440 /nfs/dbraw/zinc/13/44/40/946134440.db2.gz DUZYTIUOCHOKKL-LBPRGKRZSA-N 1 0 389.872 1.981 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]([NH2+]Cc2cccc(F)c2Cl)C1 ZINC001571294889 946147143 /nfs/dbraw/zinc/14/71/43/946147143.db2.gz PGAIHSOTYZWUEP-LBPRGKRZSA-N 1 0 389.822 1.992 20 0 GDADRO O=C([C@@H]1COc2ccccc21)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571295754 946173815 /nfs/dbraw/zinc/17/38/15/946173815.db2.gz FBYXLKHJRRRMMM-FUHWJXTLSA-N 1 0 390.447 1.733 20 0 GDADRO C[C@@H]1CN(C(=O)CC(C)(C)O)CC[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571297938 946202218 /nfs/dbraw/zinc/20/22/18/946202218.db2.gz DUNJARZARZQKOM-WBMJQRKESA-N 1 0 390.463 1.493 20 0 GDADRO CC(C)[C@@H](F)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571298078 946206061 /nfs/dbraw/zinc/20/60/61/946206061.db2.gz JDMAFKJDWRNFRG-NVXWUHKLSA-N 1 0 390.463 1.568 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)C1=COCCO1 ZINC001571298267 946211245 /nfs/dbraw/zinc/21/12/45/946211245.db2.gz MBHDWGGASSYWNG-UHFFFAOYSA-N 1 0 390.469 1.145 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571298457 946215258 /nfs/dbraw/zinc/21/52/58/946215258.db2.gz OHMBLRYGNJNZIU-NVXWUHKLSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)[C@H](C(=O)N1CCC(Nc2ncc(-c3nn[nH]n3)cc2F)CC1)[NH+](C)C ZINC001571298413 946216824 /nfs/dbraw/zinc/21/68/24/946216824.db2.gz NHVODVJVYOFKME-OAHLLOKOSA-N 1 0 390.467 1.390 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCN(C(=O)C(C)(C)F)C[C@H]1C ZINC001571298492 946218075 /nfs/dbraw/zinc/21/80/75/946218075.db2.gz PJTYRFZPYPESEI-IUODEOHRSA-N 1 0 390.463 1.950 20 0 GDADRO C[C@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C1CCCC1 ZINC001571299373 946249401 /nfs/dbraw/zinc/24/94/01/946249401.db2.gz LSDTXRKKUGRBQD-AWEZNQCLSA-N 1 0 390.513 1.645 20 0 GDADRO O=C(N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2)c1cncnc1 ZINC001571299587 946255887 /nfs/dbraw/zinc/25/58/87/946255887.db2.gz XZLMGHNPNWJNJD-QGZVFWFLSA-N 1 0 390.451 1.441 20 0 GDADRO C[C@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571299890 946264172 /nfs/dbraw/zinc/26/41/72/946264172.db2.gz QGDQUNQHXIQOMO-GZMMTYOYSA-N 1 0 390.860 1.366 20 0 GDADRO C[C@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571300182 946275609 /nfs/dbraw/zinc/27/56/09/946275609.db2.gz WIYDPKDAGBWOCP-DOMZBBRYSA-N 1 0 390.513 1.681 20 0 GDADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823171063 946335993 /nfs/dbraw/zinc/33/59/93/946335993.db2.gz NODJPLLXEVKZMV-FQEVSTJZSA-N 1 0 378.436 1.234 20 0 GDADRO O=C(CCc1cccnc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571305503 946363589 /nfs/dbraw/zinc/36/35/89/946363589.db2.gz CPXNMQFMRDENBQ-UHFFFAOYSA-N 1 0 391.479 1.929 20 0 GDADRO Cc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571305787 946375462 /nfs/dbraw/zinc/37/54/62/946375462.db2.gz CVBBWAQBXWOOPS-SFHVURJKSA-N 1 0 391.479 1.893 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cc2c([nH]1)CCC2 ZINC001571306094 946389009 /nfs/dbraw/zinc/38/90/09/946389009.db2.gz PKHNIRDCVAPBBM-SAZUREKKSA-N 1 0 391.479 1.982 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571306304 946395531 /nfs/dbraw/zinc/39/55/31/946395531.db2.gz RZIITDBJEATUSX-QFBILLFUSA-N 1 0 391.479 1.942 20 0 GDADRO O=C([C@H]1C[C@@H]1C(F)F)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571308335 946431391 /nfs/dbraw/zinc/43/13/91/946431391.db2.gz OUKMJCORJIWVSW-KKUMJFAQSA-N 1 0 392.410 1.085 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571311482 946487990 /nfs/dbraw/zinc/48/79/90/946487990.db2.gz YSCJWLLDAGOPLH-GASCZTMLSA-N 1 0 392.467 1.831 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccncn2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571312962 946508796 /nfs/dbraw/zinc/50/87/96/946508796.db2.gz GGHQOZLFXHYCNI-KBXCAEBGSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cncnc1 ZINC001571313509 946525483 /nfs/dbraw/zinc/52/54/83/946525483.db2.gz QMVHWRVXKAHJSD-KBXCAEBGSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571313754 946533534 /nfs/dbraw/zinc/53/35/34/946533534.db2.gz VPHUMLSNDZQNBA-SJKOYZFVSA-N 1 0 392.467 1.718 20 0 GDADRO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C2)c1 ZINC001571313987 946540060 /nfs/dbraw/zinc/54/00/60/946540060.db2.gz YOQCRMUJWULPDM-MRXNPFEDSA-N 1 0 392.467 1.332 20 0 GDADRO C[C@H]1CN(C(=O)CCc2cccnc2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571314054 946540236 /nfs/dbraw/zinc/54/02/36/946540236.db2.gz ZGBHJFKHXUWTJC-GOEBONIOSA-N 1 0 392.467 1.218 20 0 GDADRO Cc1cc(N[C@@H]2CCCN(C(=O)c3cc(C)c(C)cn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315282 946550572 /nfs/dbraw/zinc/55/05/72/946550572.db2.gz IVDIGORRBWPFAO-OAHLLOKOSA-N 1 0 392.467 1.721 20 0 GDADRO Cc1cc(N[C@@H]2CCCN(C(=O)CCc3ccncc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315421 946552180 /nfs/dbraw/zinc/55/21/80/946552180.db2.gz KFHSVPQTBOVTAC-MRXNPFEDSA-N 1 0 392.467 1.423 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)CCc3cccnc3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315854 946561583 /nfs/dbraw/zinc/56/15/83/946561583.db2.gz PTHUIILPEUIRMK-UGSOOPFHSA-N 1 0 392.467 1.279 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C23CCC3)n1 ZINC001571316131 946565621 /nfs/dbraw/zinc/56/56/21/946565621.db2.gz USFXGJAVQWGNNV-CVEARBPZSA-N 1 0 392.467 1.729 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)Cc3cccnc3C)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316166 946568726 /nfs/dbraw/zinc/56/87/26/946568726.db2.gz VJJMATJGJHPEHW-KPZWWZAWSA-N 1 0 392.467 1.197 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2CC23CC[NH+](Cc2ccc(-c4nn[nH]n4)cc2)CC3)n1 ZINC001571316612 946582270 /nfs/dbraw/zinc/58/22/70/946582270.db2.gz HVDLEKPZLQFRRT-QGZVFWFLSA-N 1 0 392.467 1.385 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)c1c[nH]nc1C1CC1 ZINC001571316640 946584663 /nfs/dbraw/zinc/58/46/63/946584663.db2.gz JCNICGLSYJPQIB-HNNXBMFYSA-N 1 0 392.467 1.862 20 0 GDADRO Cc1nccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC001571316858 946590819 /nfs/dbraw/zinc/59/08/19/946590819.db2.gz OHTLFXFVFAPWND-UHFFFAOYSA-N 1 0 392.467 1.702 20 0 GDADRO Cc1ncncc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C ZINC001571317015 946594722 /nfs/dbraw/zinc/59/47/22/946594722.db2.gz RYNMWAOOGKEHLW-KDOFPFPSSA-N 1 0 392.467 1.748 20 0 GDADRO O=C(c1c[nH]nc1C1CC1)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571317321 946606161 /nfs/dbraw/zinc/60/61/61/946606161.db2.gz COQNWNDXJCIMKJ-CYBMUJFWSA-N 1 0 392.467 1.719 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cc2n(n1)CCCC2 ZINC001571317342 946606385 /nfs/dbraw/zinc/60/63/85/946606385.db2.gz DJXAMYPWESEADX-MRXNPFEDSA-N 1 0 392.467 1.404 20 0 GDADRO O=C(c1cc[nH]n1)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317394 946609108 /nfs/dbraw/zinc/60/91/08/946609108.db2.gz FYMRMPUABAMLIP-JXFKEZNVSA-N 1 0 392.467 1.622 20 0 GDADRO CC[C@@H](C(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571317515 946611818 /nfs/dbraw/zinc/61/18/18/946611818.db2.gz KSUPRWNQRQJRRG-STQMWFEESA-N 1 0 392.533 1.399 20 0 GDADRO CC[C@@H](C(=O)N1CC[C@H](CCNc2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571317523 946614555 /nfs/dbraw/zinc/61/45/55/946614555.db2.gz LFEXWLMLVOPOMS-STQMWFEESA-N 1 0 392.533 1.622 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCc2nccn2C1 ZINC001571317681 946618608 /nfs/dbraw/zinc/61/86/08/946618608.db2.gz QSTUXCYPSRMSKW-OAGGEKHMSA-N 1 0 392.467 1.063 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824547388 946788227 /nfs/dbraw/zinc/78/82/27/946788227.db2.gz NUZVZDFFJFNHPY-XJKSGUPXSA-N 1 0 380.456 1.442 20 0 GDADRO CC(=O)N[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573541906 946789544 /nfs/dbraw/zinc/78/95/44/946789544.db2.gz XUTCIIAAAUWEDW-BLLLJJGKSA-N 1 0 387.488 1.012 20 0 GDADRO CC[C@H](C)NC(=O)CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825068434 947066173 /nfs/dbraw/zinc/06/61/73/947066173.db2.gz RQERORZNXUUAMW-HNNXBMFYSA-N 1 0 385.516 1.726 20 0 GDADRO CC[NH+](CC)[C@H]1CCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000825411927 947180954 /nfs/dbraw/zinc/18/09/54/947180954.db2.gz HZFAHQBKDNLKKD-ZWKOTPCHSA-N 1 0 383.500 1.778 20 0 GDADRO CCOC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)o1 ZINC000825559087 947218684 /nfs/dbraw/zinc/21/86/84/947218684.db2.gz BQLJLQZGRPMQSS-UHFFFAOYSA-N 1 0 397.439 1.790 20 0 GDADRO CCc1cnccc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825739788 947310111 /nfs/dbraw/zinc/31/01/11/947310111.db2.gz JXLUEYXUEHFCOJ-ZDUSSCGKSA-N 1 0 386.481 1.949 20 0 GDADRO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573592918 947354445 /nfs/dbraw/zinc/35/44/45/947354445.db2.gz OHUQGFUFVYBBGD-RDJZCZTQSA-N 1 0 379.468 1.962 20 0 GDADRO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825908644 947364438 /nfs/dbraw/zinc/36/44/38/947364438.db2.gz KHWNHPIHGAEDFF-SZMVWBNQSA-N 1 0 384.484 1.845 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C1CCCC1 ZINC001573593177 947364970 /nfs/dbraw/zinc/36/49/70/947364970.db2.gz REGCYPKHYRATBQ-HIFRSBDPSA-N 1 0 387.488 1.344 20 0 GDADRO C[C@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573594365 947392389 /nfs/dbraw/zinc/39/23/89/947392389.db2.gz YJNDIBKGFXYGLT-SNVBAGLBSA-N 1 0 383.378 1.887 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573594692 947403851 /nfs/dbraw/zinc/40/38/51/947403851.db2.gz CIIPJTFUTGLTCA-WBMJQRKESA-N 1 0 390.463 1.351 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000826033354 947409283 /nfs/dbraw/zinc/40/92/83/947409283.db2.gz ATRSNGOFCHCIDU-QRQLOZEOSA-N 1 0 395.511 1.778 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C ZINC001573595158 947414942 /nfs/dbraw/zinc/41/49/42/947414942.db2.gz FTVKPUNYBXYPSU-WFASDCNBSA-N 1 0 392.479 1.597 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C ZINC001573595157 947415409 /nfs/dbraw/zinc/41/54/09/947415409.db2.gz FTVKPUNYBXYPSU-SWLSCSKDSA-N 1 0 392.479 1.597 20 0 GDADRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@@H]1C ZINC000826132399 947446812 /nfs/dbraw/zinc/44/68/12/947446812.db2.gz FCIHLYUZFNFEAM-APHBMKBZSA-N 1 0 384.440 1.103 20 0 GDADRO CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)=C1CCC1 ZINC001573599066 947449127 /nfs/dbraw/zinc/44/91/27/947449127.db2.gz VFYDNJWABJMHGQ-HNNXBMFYSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC001573599585 947457678 /nfs/dbraw/zinc/45/76/78/947457678.db2.gz YIODSYSAWLSXPL-BBRMVZONSA-N 1 0 384.440 1.172 20 0 GDADRO COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826160006 947504659 /nfs/dbraw/zinc/50/46/59/947504659.db2.gz BJLBHZWWMAALAP-HNNXBMFYSA-N 1 0 376.461 1.142 20 0 GDADRO C[C@@H](C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573613457 947563692 /nfs/dbraw/zinc/56/36/92/947563692.db2.gz APUFFIYYNJMXKW-ZUZCIYMTSA-N 1 0 383.378 1.533 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)C(F)(F)F ZINC001573616218 947619695 /nfs/dbraw/zinc/61/96/95/947619695.db2.gz VSHWQCQDTNZSMI-JOYOIKCWSA-N 1 0 383.378 1.531 20 0 GDADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cc(=O)[nH]1 ZINC000826258039 947743308 /nfs/dbraw/zinc/74/33/08/947743308.db2.gz XMQCMBZKPSIEPM-UHFFFAOYSA-N 1 0 381.440 1.480 20 0 GDADRO C[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573628264 947750371 /nfs/dbraw/zinc/75/03/71/947750371.db2.gz JXDFDYAJAQHVCQ-ZBFHGGJFSA-N 1 0 380.456 1.405 20 0 GDADRO CC(=O)CCCC(=O)N(C)C1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573369645 947774604 /nfs/dbraw/zinc/77/46/04/947774604.db2.gz VVQSCEMALZQEOD-UHFFFAOYSA-N 1 0 385.472 1.757 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573629244 947775250 /nfs/dbraw/zinc/77/52/50/947775250.db2.gz MUZHFEVQJCNGBB-KBPBESRZSA-N 1 0 381.440 1.731 20 0 GDADRO CC(=O)CCCC(=O)N1CCCC[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573372699 947781490 /nfs/dbraw/zinc/78/14/90/947781490.db2.gz CGNNJDSWRMEPPU-HNNXBMFYSA-N 1 0 385.472 1.626 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573373324 947790023 /nfs/dbraw/zinc/79/00/23/947790023.db2.gz HYBOUJDYNISAII-QGZVFWFLSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@H]1C ZINC001573373682 947797694 /nfs/dbraw/zinc/79/76/94/947797694.db2.gz KGXAURMQCZJHLD-CXAGYDPISA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573376025 947829981 /nfs/dbraw/zinc/82/99/81/947829981.db2.gz VMPMHEPNOKGLTR-OAHLLOKOSA-N 1 0 385.472 1.402 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573638539 947839602 /nfs/dbraw/zinc/83/96/02/947839602.db2.gz OKAACTQNROKPTR-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573638538 947840304 /nfs/dbraw/zinc/84/03/04/947840304.db2.gz OKAACTQNROKPTR-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573378113 947853996 /nfs/dbraw/zinc/85/39/96/947853996.db2.gz VYCPTRXPTVGCNL-STQMWFEESA-N 1 0 376.436 1.748 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573644038 947867667 /nfs/dbraw/zinc/86/76/67/947867667.db2.gz XGRVSKBSDOYRLS-DOMZBBRYSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1)n1cccn1 ZINC001573647206 947886640 /nfs/dbraw/zinc/88/66/40/947886640.db2.gz DVKYKJFOEZVVQG-JCGIZDLHSA-N 1 0 392.467 1.215 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)C(C)(F)F ZINC001573650978 947916247 /nfs/dbraw/zinc/91/62/47/947916247.db2.gz HDDVLQXHPJTMBA-XQQFMLRXSA-N 1 0 391.426 1.838 20 0 GDADRO C[C@H](C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C)n1cccc1 ZINC001573652728 947945771 /nfs/dbraw/zinc/94/57/71/947945771.db2.gz HAMJSIOFKASZTJ-CZUORRHYSA-N 1 0 382.472 1.689 20 0 GDADRO Cc1onc(CC(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1-c1nn[nH]n1 ZINC000826342808 947984569 /nfs/dbraw/zinc/98/45/69/947984569.db2.gz AURVSQYILZNJNS-UHFFFAOYSA-N 1 0 385.428 1.309 20 0 GDADRO C[C@H](C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573656835 947994375 /nfs/dbraw/zinc/99/43/75/947994375.db2.gz IPTXVZJKWNBNGM-SNVBAGLBSA-N 1 0 383.378 1.935 20 0 GDADRO C[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573657588 948001505 /nfs/dbraw/zinc/00/15/05/948001505.db2.gz NPWIAKPAERPKFR-AUUYWEPGSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573657809 948003464 /nfs/dbraw/zinc/00/34/64/948003464.db2.gz OVGSWESEUSHUSP-CQSZACIVSA-N 1 0 380.456 1.800 20 0 GDADRO Cc1onc(CC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1-c1nn[nH]n1 ZINC000826344645 948012338 /nfs/dbraw/zinc/01/23/38/948012338.db2.gz NMPOOCCJEPVKQQ-AWEZNQCLSA-N 1 0 395.467 1.829 20 0 GDADRO Cc1onc(CC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1-c1nn[nH]n1 ZINC000826348277 948070005 /nfs/dbraw/zinc/07/00/05/948070005.db2.gz FKMHDMSPPQDQMY-UHFFFAOYSA-N 1 0 385.428 1.675 20 0 GDADRO Cn1cc(C[N@@H+]2CCC[C@H](OCCO)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360768 948124442 /nfs/dbraw/zinc/12/44/42/948124442.db2.gz XGTLPDAAMFCMSE-KRWDZBQOSA-N 1 0 383.456 1.241 20 0 GDADRO Cn1cc(C[NH+]2CCC(OCCO)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360714 948125372 /nfs/dbraw/zinc/12/53/72/948125372.db2.gz VDQSACDGSWTHHR-UHFFFAOYSA-N 1 0 383.456 1.241 20 0 GDADRO CC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@@H](C(F)(F)F)C1 ZINC001573425754 948150883 /nfs/dbraw/zinc/15/08/83/948150883.db2.gz BKQOWUQHUPZMPS-RISCZKNCSA-N 1 0 386.353 1.752 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCCC1 ZINC001573681883 948216346 /nfs/dbraw/zinc/21/63/46/948216346.db2.gz YJWFJRQDUMPUFY-LRDDRELGSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)n1cccc1 ZINC001573691752 948245605 /nfs/dbraw/zinc/24/56/05/948245605.db2.gz IOPDWFZOMVVYTD-ZDUSSCGKSA-N 1 0 383.431 1.807 20 0 GDADRO C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1CCCCCC1 ZINC001573691942 948249549 /nfs/dbraw/zinc/24/95/49/948249549.db2.gz JZKWLAWJVJKYIA-CQSZACIVSA-N 1 0 384.488 1.587 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCCC1 ZINC001573692065 948254097 /nfs/dbraw/zinc/25/40/97/948254097.db2.gz MIOVFPNDORXDBG-BLLLJJGKSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cccs1 ZINC001573692298 948260429 /nfs/dbraw/zinc/26/04/29/948260429.db2.gz NYAVKKPKASNKHC-JSGCOSHPSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCCC1 ZINC001573692472 948265117 /nfs/dbraw/zinc/26/51/17/948265117.db2.gz PAWRISVQUAZISP-DOMZBBRYSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCCC1 ZINC001573694469 948295117 /nfs/dbraw/zinc/29/51/17/948295117.db2.gz VWBHQIIMWDXJEP-MLGOLLRUSA-N 1 0 390.463 1.399 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000826456332 948329941 /nfs/dbraw/zinc/32/99/41/948329941.db2.gz ZBTHFTCWBVOYRD-UHFFFAOYSA-N 1 0 380.456 1.804 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573703615 948358259 /nfs/dbraw/zinc/35/82/59/948358259.db2.gz LHZNVNSTYUNHMS-KGLIPLIRSA-N 1 0 381.440 1.991 20 0 GDADRO O=C1[C@@H]([NH+]2CCC(c3ncc[nH]3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476324 948380301 /nfs/dbraw/zinc/38/03/01/948380301.db2.gz FMLZGBFAVWILIF-KRWDZBQOSA-N 1 0 392.467 1.965 20 0 GDADRO O=C1[C@@H]([NH+]2CCC(c3nnc[nH]3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476355 948380363 /nfs/dbraw/zinc/38/03/63/948380363.db2.gz GCALQLSEJFNRAH-INIZCTEOSA-N 1 0 393.455 1.360 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC3(C2)CCOCC3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476765 948384399 /nfs/dbraw/zinc/38/43/99/948384399.db2.gz OMHUBWCMKMBIHK-KRWDZBQOSA-N 1 0 382.468 1.865 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573705040 948388455 /nfs/dbraw/zinc/38/84/55/948388455.db2.gz VGMTWWFRBWHGMV-UONOGXRCSA-N 1 0 381.444 1.052 20 0 GDADRO O=S(=O)(CC[NH2+][C@H](CCO)C1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826484652 948400604 /nfs/dbraw/zinc/40/06/04/948400604.db2.gz KOFYSMSSCKPZMW-QGZVFWFLSA-N 1 0 393.513 1.561 20 0 GDADRO OC[C@@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)Cc1ccco1 ZINC000826507127 948426978 /nfs/dbraw/zinc/42/69/78/948426978.db2.gz JBHJEIWAEDPYBP-QGZVFWFLSA-N 1 0 396.495 1.865 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573708977 948464238 /nfs/dbraw/zinc/46/42/38/948464238.db2.gz YNESHIGUNFLSFR-RDJZCZTQSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)c1cccnc1 ZINC001573715411 948489884 /nfs/dbraw/zinc/48/98/84/948489884.db2.gz VTTYXDPVRHTFAC-ZDUSSCGKSA-N 1 0 383.431 1.753 20 0 GDADRO C[N@@H+]1C[C@@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)[C@H]2C1 ZINC001562030288 948559070 /nfs/dbraw/zinc/55/90/70/948559070.db2.gz JLIQJKCPUATUGG-DUFXMDAXSA-N 1 0 382.877 1.139 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H](C)c1cccnc1 ZINC001573739666 948621087 /nfs/dbraw/zinc/62/10/87/948621087.db2.gz FZJWPSAUFXZSPT-OLZOCXBDSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H](C)c1ccc(F)cc1F ZINC001573741964 948657496 /nfs/dbraw/zinc/65/74/96/948657496.db2.gz GYKXGOSAAJUXDO-GHMZBOCLSA-N 1 0 387.394 1.682 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCCO1 ZINC001573749323 948699909 /nfs/dbraw/zinc/69/99/09/948699909.db2.gz YGTMHFMDDVXCGC-IKICRFKJSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573751905 948707468 /nfs/dbraw/zinc/70/74/68/948707468.db2.gz HPEPGTNMQKBVIL-ZSGPHXLJSA-N 1 0 392.467 1.546 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)C1CCC1 ZINC001573753442 948719182 /nfs/dbraw/zinc/71/91/82/948719182.db2.gz VEOFUFOKGZWIGU-MTYBJYJGSA-N 1 0 384.459 1.988 20 0 GDADRO CC(C)[C@@H](F)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574075673 948746180 /nfs/dbraw/zinc/74/61/80/948746180.db2.gz YQRYQCRAPRBDMU-VQIMIIECSA-N 1 0 390.463 1.304 20 0 GDADRO CC(C)[C@@H](F)C(=O)N[C@H](C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574080352 948791013 /nfs/dbraw/zinc/79/10/13/948791013.db2.gz PQZSPHSNJHKXTR-MLGOLLRUSA-N 1 0 375.452 1.977 20 0 GDADRO CC(C)[C@H](F)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574080676 948799490 /nfs/dbraw/zinc/79/94/90/948799490.db2.gz UNZWPNDWQPYWHN-PJODQICGSA-N 1 0 378.427 1.984 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574917147 948811359 /nfs/dbraw/zinc/81/13/59/948811359.db2.gz RZIGRQRBPADHJJ-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)c1ccoc1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001574421127 948813187 /nfs/dbraw/zinc/81/31/87/948813187.db2.gz HERGYHVNAAZZMO-FOLVSLTJSA-N 1 0 379.424 1.843 20 0 GDADRO CC(C)c1cnc(C[NH2+]CC2CC(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)o1 ZINC001574424339 948848656 /nfs/dbraw/zinc/84/86/56/948848656.db2.gz LBBMZOJTFBRSIV-UHFFFAOYSA-N 1 0 384.444 1.604 20 0 GDADRO CC(C)(C(=O)N1CC([NH2+]C2CCOCC2)C1)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001573762280 948850367 /nfs/dbraw/zinc/85/03/67/948850367.db2.gz RMRBWRJHLFQLPR-UHFFFAOYSA-N 1 0 388.447 1.263 20 0 GDADRO C[C@H](CCNc1nc(Cl)c(-c2nn[nH]n2)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574684054 948855816 /nfs/dbraw/zinc/85/58/16/948855816.db2.gz APTZRHBIPSADLT-BDAKNGLRSA-N 1 0 384.897 1.235 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001574684368 948863919 /nfs/dbraw/zinc/86/39/19/948863919.db2.gz DVJKMYKOEWCOIE-NSHDSACASA-N 1 0 390.879 1.318 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574919218 948871823 /nfs/dbraw/zinc/87/18/23/948871823.db2.gz WTAVILZRKWQOKD-ZDUSSCGKSA-N 1 0 377.468 1.284 20 0 GDADRO CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnc[nH]1 ZINC001573763749 948873722 /nfs/dbraw/zinc/87/37/22/948873722.db2.gz GTDOQOVADJBXHX-NSHDSACASA-N 1 0 386.485 1.320 20 0 GDADRO C[C@H](CNC(=O)CCCn1cccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574919421 948878354 /nfs/dbraw/zinc/87/83/54/948878354.db2.gz YZVACUYPOKCLDT-CYBMUJFWSA-N 1 0 386.435 1.277 20 0 GDADRO C[C@H](CNC(=O)CCc1ncccn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920279 948893773 /nfs/dbraw/zinc/89/37/73/948893773.db2.gz HMXHBDGMNBGHLA-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@H](CNC(=O)CCc1nccs1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574920358 948899440 /nfs/dbraw/zinc/89/94/40/948899440.db2.gz JIZPQAJOFTWKHG-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920488 948905742 /nfs/dbraw/zinc/90/57/42/948905742.db2.gz MIXAUTBNBCYLDZ-LLVKDONJSA-N 1 0 391.526 1.954 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001574685794 948921530 /nfs/dbraw/zinc/92/15/30/948921530.db2.gz ZTSNPXHENNYEQS-NSHDSACASA-N 1 0 376.440 1.192 20 0 GDADRO C[C@H](CNC(=O)CCc1nccs1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574921509 948924072 /nfs/dbraw/zinc/92/40/72/948924072.db2.gz YYZOHOZHLPQPPA-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)[C@@H](C(=O)N[C@H](C)CCNc1ncc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001574686440 948935944 /nfs/dbraw/zinc/93/59/44/948935944.db2.gz JGBLBSMHVDSQJJ-RISCZKNCSA-N 1 0 378.456 1.294 20 0 GDADRO CC(C)c1ncncc1C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574432907 948943865 /nfs/dbraw/zinc/94/38/65/948943865.db2.gz OWRWGWMQRMGBPE-UHFFFAOYSA-N 1 0 380.456 1.642 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001575244168 949010363 /nfs/dbraw/zinc/01/03/63/949010363.db2.gz WTWLMLBQIHCTPY-ACJLOTCBSA-N 1 0 375.452 1.871 20 0 GDADRO CC(C)c1nnsc1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574439609 949013398 /nfs/dbraw/zinc/01/33/98/949013398.db2.gz IEXUHXZCHSBAMK-MGCOHNPYSA-N 1 0 385.457 1.031 20 0 GDADRO C[C@H](F)CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@]2(C)C1 ZINC001575247174 949046404 /nfs/dbraw/zinc/04/64/04/949046404.db2.gz IVBIMVDEGMMACP-UYHISHBKSA-N 1 0 375.452 1.727 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574929530 949096406 /nfs/dbraw/zinc/09/64/06/949096406.db2.gz GDQCZKHWZKNMCX-CYBMUJFWSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)(C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1c[nH]cn1 ZINC001573782003 949115172 /nfs/dbraw/zinc/11/51/72/949115172.db2.gz NXQAGLFDUQNIHO-UHFFFAOYSA-N 1 0 380.456 1.116 20 0 GDADRO CC(C)(C(=O)NC/C=C/CNc1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCCC1 ZINC001573782093 949121545 /nfs/dbraw/zinc/12/15/45/949121545.db2.gz QJNCARFKNYEYKQ-SNAWJCMRSA-N 1 0 384.488 1.611 20 0 GDADRO C[C@H](NC(=O)C1(C(F)F)CC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575251004 949125208 /nfs/dbraw/zinc/12/52/08/949125208.db2.gz JYELTOFPRRTMQM-NSHDSACASA-N 1 0 376.411 1.849 20 0 GDADRO C[C@H](CNC(=O)COCC(F)F)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574932259 949133676 /nfs/dbraw/zinc/13/36/76/949133676.db2.gz WTLJSTXDUPTNNR-SNVBAGLBSA-N 1 0 386.378 1.224 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574697926 949168471 /nfs/dbraw/zinc/16/84/71/949168471.db2.gz DGKYDBSOWRWXTR-STQMWFEESA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)c1ocnc1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001574448014 949175910 /nfs/dbraw/zinc/17/59/10/949175910.db2.gz BNEBQLLSUIJQQJ-IMRBUKKESA-N 1 0 380.412 1.238 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574698540 949197019 /nfs/dbraw/zinc/19/70/19/949197019.db2.gz MJAFHXOPXDZHAU-ZIAGYGMSSA-N 1 0 382.472 1.340 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001575853287 949208634 /nfs/dbraw/zinc/20/86/34/949208634.db2.gz NISMZUHYIIHBTA-UHFFFAOYSA-N 1 0 377.399 1.522 20 0 GDADRO CC(C)c1oncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574450278 949211114 /nfs/dbraw/zinc/21/11/14/949211114.db2.gz YZIFPHCPQDPYFA-CQSZACIVSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576151188 949212842 /nfs/dbraw/zinc/21/28/42/949212842.db2.gz DJDBNORUCJATNR-GJZGRUSLSA-N 1 0 387.488 1.752 20 0 GDADRO CC(C)n1cc(C(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001574451963 949249879 /nfs/dbraw/zinc/24/98/79/949249879.db2.gz CBAUVSRSXLMUIM-UHFFFAOYSA-N 1 0 380.456 1.506 20 0 GDADRO CC(C)n1cc(C(=O)NCC[C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001574452525 949262537 /nfs/dbraw/zinc/26/25/37/949262537.db2.gz MBIARJATMDOIER-AWEZNQCLSA-N 1 0 382.472 1.942 20 0 GDADRO C[C@H](NC(=O)[C@@]1(C)CCCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575257327 949271784 /nfs/dbraw/zinc/27/17/84/949271784.db2.gz ZYZSUXLOTOUDSL-SGTLLEGYSA-N 1 0 390.513 1.681 20 0 GDADRO CC(C)n1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001574452947 949275680 /nfs/dbraw/zinc/27/56/80/949275680.db2.gz SGJMMFMSJDYQBK-QGZVFWFLSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cn1 ZINC001574454796 949289445 /nfs/dbraw/zinc/28/94/45/949289445.db2.gz FGWZTHQOFIWKMH-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)n1cc(C(=O)N[C@@H](C)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)cn1 ZINC001574454982 949296648 /nfs/dbraw/zinc/29/66/48/949296648.db2.gz KJYMWJWOIHPNGC-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574941533 949313791 /nfs/dbraw/zinc/31/37/91/949313791.db2.gz RQKVDQVKLATBDQ-JTQLQIEISA-N 1 0 389.822 1.635 20 0 GDADRO C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575259136 949318719 /nfs/dbraw/zinc/31/87/19/949318719.db2.gz MKSBJJGYRINJJZ-DZGCQCFKSA-N 1 0 383.456 1.330 20 0 GDADRO CC1=C(C)C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)CC1 ZINC001575861216 949319591 /nfs/dbraw/zinc/31/95/91/949319591.db2.gz PWSHMZLBHXFILO-OTWHNJEPSA-N 1 0 396.495 1.665 20 0 GDADRO CC(C)CC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001574109431 949321527 /nfs/dbraw/zinc/32/15/27/949321527.db2.gz ZBADGCDGOMQJHR-UHFFFAOYSA-N 1 0 378.502 1.417 20 0 GDADRO CC(C)n1ccc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001574457764 949332257 /nfs/dbraw/zinc/33/22/57/949332257.db2.gz NVLABFXFVBBLHQ-INIZCTEOSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@@H](c1ncccn1)[N@H+]1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](C)C1 ZINC001575525204 949337819 /nfs/dbraw/zinc/33/78/19/949337819.db2.gz WPHCECQEJIXCAT-MBNYWOFBSA-N 1 0 381.444 1.044 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574460236 949372755 /nfs/dbraw/zinc/37/27/55/949372755.db2.gz SQPSFRCDLHYGRU-OAHLLOKOSA-N 1 0 383.460 1.367 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574704285 949379047 /nfs/dbraw/zinc/37/90/47/949379047.db2.gz LZDWGZFLNUAKQL-WMLDXEAASA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CNC(=O)Cc1ncccc1F)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574944385 949393880 /nfs/dbraw/zinc/39/38/80/949393880.db2.gz CIVQNZXXPLIXKD-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCC1(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704873 949408991 /nfs/dbraw/zinc/40/89/91/949408991.db2.gz FJBMVOZSQDCWEK-MFKMUULPSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](NC(=O)C[C@](C)(O)C1CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575263852 949410810 /nfs/dbraw/zinc/41/08/10/949410810.db2.gz KGYXOOVKXFHXGA-ZMZPIMSZSA-N 1 0 390.513 1.416 20 0 GDADRO C[C@@]1(C(=O)N2CCC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001575533916 949418904 /nfs/dbraw/zinc/41/89/04/949418904.db2.gz JIBZVDCKNNPTGB-HXUWFJFHSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@]1(C(=O)N2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)CCOC1 ZINC001575534518 949426833 /nfs/dbraw/zinc/42/68/33/949426833.db2.gz NCIQCDCNJOKBGQ-GOSISDBHSA-N 1 0 390.513 1.683 20 0 GDADRO C[C@H](CNC(=O)Cc1ncccc1F)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574946178 949429021 /nfs/dbraw/zinc/42/90/21/949429021.db2.gz SNHRYLQZPIWVET-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H](CNC(=O)Cc1ncccc1F)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574946180 949429617 /nfs/dbraw/zinc/42/96/17/949429617.db2.gz SNHRYLQZPIWVET-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nn[nH]n2)n1)NC(=O)CC[NH+](C)C ZINC001576156389 949441648 /nfs/dbraw/zinc/44/16/48/949441648.db2.gz MNXINCLLHZKMFG-UGSOOPFHSA-N 1 0 387.492 1.085 20 0 GDADRO C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575265709 949452699 /nfs/dbraw/zinc/45/26/99/949452699.db2.gz ADNKFFMFLXEIDM-VHSXEESVSA-N 1 0 383.378 1.721 20 0 GDADRO C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575265840 949457626 /nfs/dbraw/zinc/45/76/26/949457626.db2.gz VUERLVBJPJLPSE-HIFRSBDPSA-N 1 0 385.472 1.409 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC001574468513 949464437 /nfs/dbraw/zinc/46/44/37/949464437.db2.gz NGJYNJNHEPJQFQ-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001575266099 949467729 /nfs/dbraw/zinc/46/77/29/949467729.db2.gz XDQKHTYYHMWWSE-QWHCGFSZSA-N 1 0 387.492 1.082 20 0 GDADRO CC1(C(=O)N2CCC(O)(C[NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CCC1 ZINC001575537181 949489645 /nfs/dbraw/zinc/48/96/45/949489645.db2.gz SSEOFBDAQRFHSU-UHFFFAOYSA-N 1 0 384.484 1.500 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711193 949527714 /nfs/dbraw/zinc/52/77/14/949527714.db2.gz FBXXWBXSCIXJLR-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccon1 ZINC001573810651 949575903 /nfs/dbraw/zinc/57/59/03/949575903.db2.gz BKFGCBNRRUNXRO-HNNXBMFYSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CCCOC1 ZINC001573810771 949577386 /nfs/dbraw/zinc/57/73/86/949577386.db2.gz CFOVEYWAGCRPEL-IAGOWNOFSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573810778 949578331 /nfs/dbraw/zinc/57/83/31/949578331.db2.gz CLQLNJXJOANZBO-DZGCQCFKSA-N 1 0 375.477 1.498 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CC1(O)CCC1 ZINC001573811589 949604340 /nfs/dbraw/zinc/60/43/40/949604340.db2.gz MCTSJJONXMMVIX-CQSZACIVSA-N 1 0 392.529 1.854 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCCO1 ZINC001573811587 949604686 /nfs/dbraw/zinc/60/46/86/949604686.db2.gz MBXZARHZQFWIOA-JKSUJKDBSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001574476709 949614884 /nfs/dbraw/zinc/61/48/84/949614884.db2.gz JGKBQQMYPGXTQA-YOEHRIQHSA-N 1 0 386.500 1.554 20 0 GDADRO C[C@@]1(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCOC1 ZINC001575546961 949616662 /nfs/dbraw/zinc/61/66/62/949616662.db2.gz UAWNIUHHJQPSQR-OXJNMPFZSA-N 1 0 384.484 1.764 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ZINC001574498639 950280238 /nfs/dbraw/zinc/28/02/38/950280238.db2.gz OVVBAMZNCWBMFJ-JTQLQIEISA-N 1 0 383.378 1.723 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575905074 950287971 /nfs/dbraw/zinc/28/79/71/950287971.db2.gz BDMQTDSHBVQEFA-BXUZGUMPSA-N 1 0 386.485 1.363 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccncn1 ZINC001575905439 950294866 /nfs/dbraw/zinc/29/48/66/950294866.db2.gz CKKOJHHVPGFAQB-NHYWBVRUSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@]1(C(=O)NCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCOC1 ZINC001575592698 950295395 /nfs/dbraw/zinc/29/53/95/950295395.db2.gz JSHMRQMQCKJPPM-KRWDZBQOSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)C1=COCCC1 ZINC001575905735 950299413 /nfs/dbraw/zinc/29/94/13/950299413.db2.gz DUOQXKFFOSRDBM-SJKOYZFVSA-N 1 0 386.431 1.779 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccnnc1 ZINC001575906027 950302291 /nfs/dbraw/zinc/30/22/91/950302291.db2.gz GAOXRHXLVSXENV-MEDUHNTESA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cn(C)cn1 ZINC001575907423 950332868 /nfs/dbraw/zinc/33/28/68/950332868.db2.gz ONTSTMMWPLULDP-XHDPSFHLSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)COC(C)(C)C ZINC001575907594 950338995 /nfs/dbraw/zinc/33/89/95/950338995.db2.gz PIFFSXDQILMIIG-MLGOLLRUSA-N 1 0 390.463 1.900 20 0 GDADRO C[C@@H](CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCO1 ZINC001574501861 950348839 /nfs/dbraw/zinc/34/88/39/950348839.db2.gz HBGAFHLBISMWCO-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCC[C@H](Nc3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001576196410 950359626 /nfs/dbraw/zinc/35/96/26/950359626.db2.gz CQWLLISQQWOELM-INIZCTEOSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574744734 950362830 /nfs/dbraw/zinc/36/28/30/950362830.db2.gz ACNIPEPJRNBEAE-NSHDSACASA-N 1 0 383.460 1.277 20 0 GDADRO CC1CC[NH+](CC(=O)N2CC[C@@H](N(C)c3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576196769 950371393 /nfs/dbraw/zinc/37/13/93/950371393.db2.gz HOXHLWKWRMBFKI-OAHLLOKOSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@H](CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001574502664 950389390 /nfs/dbraw/zinc/38/93/90/950389390.db2.gz PFRFOJKANLBWMD-CQSZACIVSA-N 1 0 380.456 1.263 20 0 GDADRO CC1CC[NH+](CC(=O)N(C)CCCN(C)c2ncccc2-c2nn[nH]n2)CC1 ZINC001576197480 950398784 /nfs/dbraw/zinc/39/87/84/950398784.db2.gz OTCUINOGKNUQAH-UHFFFAOYSA-N 1 0 386.504 1.278 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575910070 950412509 /nfs/dbraw/zinc/41/25/09/950412509.db2.gz JIWASKUFHNMOOG-WFASDCNBSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(C2CC2)n[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574747848 950420877 /nfs/dbraw/zinc/42/08/77/950420877.db2.gz YYZKCZRHLSQXPX-GFCCVEGCSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cc(Cl)no1 ZINC001575910616 950423886 /nfs/dbraw/zinc/42/38/86/950423886.db2.gz MLQPCYIQDHKGFC-GWCFXTLKSA-N 1 0 387.831 1.901 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574750738 950438803 /nfs/dbraw/zinc/43/88/03/950438803.db2.gz GTSJVSYEGPNBQG-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575911589 950447744 /nfs/dbraw/zinc/44/77/44/950447744.db2.gz OIPRKODNBHQIOC-BLLLJJGKSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(CNc2ccc(-c3nn[nH]n3)cn2)C2CC2)C1 ZINC001576203672 950448134 /nfs/dbraw/zinc/44/81/34/950448134.db2.gz ICESWROMPDUCMO-BFUOFWGJSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576203777 950449885 /nfs/dbraw/zinc/44/98/85/950449885.db2.gz JJBBFRRDOBAFOX-KGLIPLIRSA-N 1 0 387.463 1.433 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC2(CNc3ccc(-c4nn[nH]n4)cn3)CCCC2)C1 ZINC001576204370 950464279 /nfs/dbraw/zinc/46/42/79/950464279.db2.gz OTNKKAZEDYAXRY-CQSZACIVSA-N 1 0 384.488 1.444 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001576204594 950469960 /nfs/dbraw/zinc/46/99/60/950469960.db2.gz QMQJDDNPJCJZBC-CABCVRRESA-N 1 0 386.504 1.689 20 0 GDADRO CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001575605600 950473073 /nfs/dbraw/zinc/47/30/73/950473073.db2.gz PTGKLKXQXDBAKM-IAGOWNOFSA-N 1 0 375.436 1.678 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H](O)c1ccccc1Cl ZINC001574994186 950476968 /nfs/dbraw/zinc/47/69/68/950476968.db2.gz OWAJDYFKKYNLNB-MEBBXXQBSA-N 1 0 389.847 1.290 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCCOC1 ZINC001575605703 950478291 /nfs/dbraw/zinc/47/82/91/950478291.db2.gz OURRVMKIZDSRTN-ZRGWGRIASA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H]1[C@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575913127 950478941 /nfs/dbraw/zinc/47/89/41/950478941.db2.gz ISMMJHQOALBBHR-GOEBONIOSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@@H]1[C@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575914438 950490107 /nfs/dbraw/zinc/49/01/07/950490107.db2.gz KXUZRBWQXXPFPQ-CZUORRHYSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[C@H](C)n1cccn1 ZINC001574508970 950490338 /nfs/dbraw/zinc/49/03/38/950490338.db2.gz RNXLWMADWFWFTO-STQMWFEESA-N 1 0 386.435 1.448 20 0 GDADRO CC1CC[NH+](CC(=O)NCC2(Nc3ncc(-c4nn[nH]n4)cc3F)CC2)CC1 ZINC001576205018 950493887 /nfs/dbraw/zinc/49/38/87/950493887.db2.gz FQCCRNODXGNAEE-UHFFFAOYSA-N 1 0 388.451 1.193 20 0 GDADRO CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575607045 950499385 /nfs/dbraw/zinc/49/93/85/950499385.db2.gz FRUPVRXKIXPIRW-KOMQPUFPSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCn1cccc1 ZINC001575914690 950501801 /nfs/dbraw/zinc/50/18/01/950501801.db2.gz VOEIKNRSVYRLRY-CRAIPNDOSA-N 1 0 379.468 1.838 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753382 950521084 /nfs/dbraw/zinc/52/10/84/950521084.db2.gz LXEOWZGWCFBCLK-GFCCVEGCSA-N 1 0 379.424 1.286 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cccc(Cl)c1F ZINC001574996685 950528626 /nfs/dbraw/zinc/52/86/26/950528626.db2.gz OIYIQPKIDOIZJS-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO CC1CC[NH+](CC(=O)NC2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CC1 ZINC001576205606 950530979 /nfs/dbraw/zinc/53/09/79/950530979.db2.gz KUAPIGFUCOAIOF-UHFFFAOYSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001574511437 950561148 /nfs/dbraw/zinc/56/11/48/950561148.db2.gz LMFJOCCAXJDZMC-CHWSQXEVSA-N 1 0 386.485 1.467 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCN2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576206300 950568352 /nfs/dbraw/zinc/56/83/52/950568352.db2.gz WDCXUQWIGBBIFF-XJKSGUPXSA-N 1 0 387.463 1.038 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573869675 950569018 /nfs/dbraw/zinc/56/90/18/950569018.db2.gz BACSEQQVMNBDHO-AWEZNQCLSA-N 1 0 390.463 1.902 20 0 GDADRO CC1(C)C(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1(C)C ZINC001575616955 950596185 /nfs/dbraw/zinc/59/61/85/950596185.db2.gz WNTWINZSXVJSNC-CABCVRRESA-N 1 0 384.484 1.210 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[C@@H](C)n1cccn1 ZINC001574513268 950599363 /nfs/dbraw/zinc/59/93/63/950599363.db2.gz LWXRVIAHAYWZDN-CHWSQXEVSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[C@@H](C)n1cccn1 ZINC001574513508 950608337 /nfs/dbraw/zinc/60/83/37/950608337.db2.gz RNXLWMADWFWFTO-CHWSQXEVSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccncc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574758773 950623215 /nfs/dbraw/zinc/62/32/15/950623215.db2.gz GSHLTDBWQULNCO-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575001491 950631593 /nfs/dbraw/zinc/63/15/93/950631593.db2.gz LPTUMABTULFPHT-ZDUSSCGKSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)no1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575001472 950632535 /nfs/dbraw/zinc/63/25/35/950632535.db2.gz LCHHQWUSEWOWKO-MRVPVSSYSA-N 1 0 379.783 1.555 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575001865 950640202 /nfs/dbraw/zinc/64/02/02/950640202.db2.gz NQSIIJARNFNEDI-ZDUSSCGKSA-N 1 0 379.468 1.982 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575001673 950641162 /nfs/dbraw/zinc/64/11/62/950641162.db2.gz XROCNLGIAQSOHI-SECBINFHSA-N 1 0 391.386 1.188 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001573873504 950643284 /nfs/dbraw/zinc/64/32/84/950643284.db2.gz MYEBFFWUDFAZBO-PVAVHDDUSA-N 1 0 384.484 1.903 20 0 GDADRO CC(C)n1cnc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001574760900 950684043 /nfs/dbraw/zinc/68/40/43/950684043.db2.gz OAEMWZFSXUFJEO-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575005697 950696805 /nfs/dbraw/zinc/69/68/05/950696805.db2.gz LDAJSSXCRYNKLW-LBPRGKRZSA-N 1 0 381.444 1.049 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCCO1 ZINC001574519969 950703229 /nfs/dbraw/zinc/70/32/29/950703229.db2.gz YWXJBDYSVSPXQX-RUGDWHBFSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cncnc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574763514 950717090 /nfs/dbraw/zinc/71/70/90/950717090.db2.gz CTGGRCMCRMZYGJ-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1occ2c1CCC2 ZINC001575927317 950741329 /nfs/dbraw/zinc/74/13/29/950741329.db2.gz OZTROQKUHSXWJJ-XHDPSFHLSA-N 1 0 379.424 1.480 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575927620 950749309 /nfs/dbraw/zinc/74/93/09/950749309.db2.gz QWPMZZNISOOACJ-WBMJQRKESA-N 1 0 390.451 1.671 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1cscn1 ZINC001575927853 950758509 /nfs/dbraw/zinc/75/85/09/950758509.db2.gz VHMBBJMHEXUHSS-BXUZGUMPSA-N 1 0 384.469 1.174 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cc[nH]n1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574520936 950763509 /nfs/dbraw/zinc/76/35/09/950763509.db2.gz BHQSNTLLEKXSIH-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO CC(C)n1cnc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C)c1 ZINC001575927974 950768175 /nfs/dbraw/zinc/76/81/75/950768175.db2.gz WVLLFKZKWSBYFM-JSGCOSHPSA-N 1 0 381.444 1.176 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cccnc1 ZINC001574521793 950784756 /nfs/dbraw/zinc/78/47/56/950784756.db2.gz HSYJNYDFWOWUDR-GJZGRUSLSA-N 1 0 379.468 1.877 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cccnc1 ZINC001574521818 950788310 /nfs/dbraw/zinc/78/83/10/950788310.db2.gz IFGVQHQKNILBFO-HUUCEWRRSA-N 1 0 379.468 1.877 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cccnc1 ZINC001574522517 950791670 /nfs/dbraw/zinc/79/16/70/950791670.db2.gz JWCCGYUSQPHKLN-QWHCGFSZSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cccnc1 ZINC001574522515 950794404 /nfs/dbraw/zinc/79/44/04/950794404.db2.gz JWCCGYUSQPHKLN-CHWSQXEVSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cccnc1 ZINC001574522561 950798443 /nfs/dbraw/zinc/79/84/43/950798443.db2.gz KWOKCGIYCSAPOH-HUUCEWRRSA-N 1 0 379.468 1.877 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1ccn(C)n1 ZINC001574522896 950802283 /nfs/dbraw/zinc/80/22/83/950802283.db2.gz LRFAVATWUXXDNF-RYUDHWBXSA-N 1 0 388.501 1.277 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(F)F)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576219467 950802761 /nfs/dbraw/zinc/80/27/61/950802761.db2.gz NXYYVCZPNAUDKX-HZMBPMFUSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)c1n[nH]cc1F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574766875 950830716 /nfs/dbraw/zinc/83/07/16/950830716.db2.gz NRDMAPCTAVOVDX-VIFPVBQESA-N 1 0 376.371 1.118 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(F)F)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576220437 950832293 /nfs/dbraw/zinc/83/22/93/950832293.db2.gz QZWLLWDBOXETMZ-HZMBPMFUSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574767270 950840175 /nfs/dbraw/zinc/84/01/75/950840175.db2.gz PCOHQIWGZLVDDC-LBPRGKRZSA-N 1 0 380.456 1.329 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCc1ccon1 ZINC001574524144 950845794 /nfs/dbraw/zinc/84/57/94/950845794.db2.gz UCRYOVWJEXYUFT-KBPBESRZSA-N 1 0 383.456 1.860 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1CCOCC1 ZINC001574524195 950851237 /nfs/dbraw/zinc/85/12/37/950851237.db2.gz UTNGPNCIBLNUTE-VXGBXAGGSA-N 1 0 378.502 1.728 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1ccn(C)n1 ZINC001574524399 950855699 /nfs/dbraw/zinc/85/56/99/950855699.db2.gz WFRVNMGYUBDKLY-UONOGXRCSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCn1ccnc1 ZINC001574524372 950858464 /nfs/dbraw/zinc/85/84/64/950858464.db2.gz VZDLUJLRNVTDDY-QWHCGFSZSA-N 1 0 388.501 1.588 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cn1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574524469 950862429 /nfs/dbraw/zinc/86/24/29/950862429.db2.gz WVAMWPHOQJTJNL-OLZOCXBDSA-N 1 0 386.435 1.275 20 0 GDADRO CC1(C)C[C@@H](NC(=O)c2cnco2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575639377 950863397 /nfs/dbraw/zinc/86/33/97/950863397.db2.gz ACXKELOEAOSMTH-LBPRGKRZSA-N 1 0 382.428 1.675 20 0 GDADRO C[C@@H](C[N@H+](C)C[C@H](O)c1ccccc1F)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767745 950864911 /nfs/dbraw/zinc/86/49/11/950864911.db2.gz QBNPYRVQDSWZGG-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cnoc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574524864 950875401 /nfs/dbraw/zinc/87/54/01/950875401.db2.gz ZVLWUNNBYVCFLE-NEPJUHHUSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1cnoc1 ZINC001574524843 950876593 /nfs/dbraw/zinc/87/65/93/950876593.db2.gz ZQWHXPBWBXGIGS-VXGBXAGGSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576226486 950881548 /nfs/dbraw/zinc/88/15/48/950881548.db2.gz BSIDZVROLYNKQN-WFASDCNBSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1csnn1 ZINC001574527212 950882865 /nfs/dbraw/zinc/88/28/65/950882865.db2.gz AQYYENJTNNYXJJ-VHSXEESVSA-N 1 0 390.448 1.544 20 0 GDADRO CC(C)CCCC(=O)NC[C@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574189693 950900382 /nfs/dbraw/zinc/90/03/82/950900382.db2.gz QDLZDGZTARCALY-HXUWFJFHSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnsn1 ZINC001574527785 950905963 /nfs/dbraw/zinc/90/59/63/950905963.db2.gz HCCSUZICZOJIDI-UWVGGRQHSA-N 1 0 390.448 1.544 20 0 GDADRO CC(C)CCCC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001574190494 950912462 /nfs/dbraw/zinc/91/24/62/950912462.db2.gz YKOMNBAYCYXVFC-ZWKOTPCHSA-N 1 0 386.500 1.744 20 0 GDADRO CC(C)(C)n1cc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 ZINC001573894044 950918965 /nfs/dbraw/zinc/91/89/65/950918965.db2.gz JYYLHZOSYIJYAC-AWEZNQCLSA-N 1 0 383.460 1.151 20 0 GDADRO C[C@@H](C[N@H+](C)CCc1ccc(F)c(F)c1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574771372 950918812 /nfs/dbraw/zinc/91/88/12/950918812.db2.gz CMBSBVPSOBOGGA-NSHDSACASA-N 1 0 389.410 1.766 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574528077 950924586 /nfs/dbraw/zinc/92/45/86/950924586.db2.gz KRWQMVJGRHBESX-UWVGGRQHSA-N 1 0 388.457 1.111 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnccn1 ZINC001574528310 950932949 /nfs/dbraw/zinc/93/29/49/950932949.db2.gz MHDAOOZZGZPVAK-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccn(C)n1 ZINC001574528703 950935403 /nfs/dbraw/zinc/93/54/03/950935403.db2.gz OBZFEKCXXACGCB-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)(CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573895455 950936744 /nfs/dbraw/zinc/93/67/44/950936744.db2.gz BKOMTNDCCIYFPM-HNNXBMFYSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574528708 950943959 /nfs/dbraw/zinc/94/39/59/950943959.db2.gz ODHKPRROVNEPBL-MNOVXSKESA-N 1 0 387.469 1.716 20 0 GDADRO CC(C)n1ncnc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529603 950956565 /nfs/dbraw/zinc/95/65/65/950956565.db2.gz RGPWRUILEFOKDR-NWDGAFQWSA-N 1 0 386.464 1.054 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1nn(C)cc1Cl)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574529849 950959793 /nfs/dbraw/zinc/95/97/93/950959793.db2.gz AQODNUJPBCGPKR-UWVGGRQHSA-N 1 0 391.867 1.268 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ncc(Cl)n1C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574530010 950964197 /nfs/dbraw/zinc/96/41/97/950964197.db2.gz SIZHDBDSRZYGPK-UWVGGRQHSA-N 1 0 391.867 1.268 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccncn1 ZINC001574529979 950966730 /nfs/dbraw/zinc/96/67/30/950966730.db2.gz RYZCFFLOIBKBBY-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cccnn1 ZINC001574530208 950975609 /nfs/dbraw/zinc/97/56/09/950975609.db2.gz TZYKRPUSTBIGGX-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1CC(F)(F)C1 ZINC001574774051 951000317 /nfs/dbraw/zinc/00/03/17/951000317.db2.gz BQVLONDEYROOGA-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1CCOCC1 ZINC001574774427 951004107 /nfs/dbraw/zinc/00/41/07/951004107.db2.gz CHHALYPANDJVEK-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1cccnc1C(F)F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575031913 951210592 /nfs/dbraw/zinc/21/05/92/951210592.db2.gz LZLBOYBHMHQUPS-JTQLQIEISA-N 1 0 388.382 1.849 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575033778 951229386 /nfs/dbraw/zinc/22/93/86/951229386.db2.gz ARDRZTDHGRNUSS-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)c1ccncc1F)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575034424 951246723 /nfs/dbraw/zinc/24/67/23/951246723.db2.gz NAYDNOOLWLDVGH-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)n1 ZINC001575036647 951299225 /nfs/dbraw/zinc/29/92/25/951299225.db2.gz UYSIBPHGOCGFGN-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1cn2c(n1)CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575044621 951415454 /nfs/dbraw/zinc/41/54/54/951415454.db2.gz SRSZRHYPMYGBSX-NSHDSACASA-N 1 0 384.419 1.057 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044787 951417867 /nfs/dbraw/zinc/41/78/67/951417867.db2.gz VAJSIAQYLXLNMP-NSHDSACASA-N 1 0 379.428 1.184 20 0 GDADRO C[C@H](CNC(=O)c1cncc(F)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575046276 951439078 /nfs/dbraw/zinc/43/90/78/951439078.db2.gz MHKNMSIMFYRCCW-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1Cl)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575051915 951457107 /nfs/dbraw/zinc/45/71/07/951457107.db2.gz AUOKBQWACRFCQZ-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575052572 951469045 /nfs/dbraw/zinc/46/90/45/951469045.db2.gz MECXEUCZRNLMJK-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575053312 951479768 /nfs/dbraw/zinc/47/97/68/951479768.db2.gz SHGIAIMDSBAKSU-GFCCVEGCSA-N 1 0 381.444 1.123 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575053763 951483582 /nfs/dbraw/zinc/48/35/82/951483582.db2.gz VJIYCOLHBMNXMJ-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1coc(C2CC2)n1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575056396 951519910 /nfs/dbraw/zinc/51/99/10/951519910.db2.gz IMSDEDHDABZLEZ-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1ncoc1C1CC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575065499 951587795 /nfs/dbraw/zinc/58/77/95/951587795.db2.gz HTNJLXHJNLLJIK-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1occ2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067755 951620424 /nfs/dbraw/zinc/62/04/24/951620424.db2.gz XTOOGPLRFLISQD-NSHDSACASA-N 1 0 384.415 1.996 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1F)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575068080 951630670 /nfs/dbraw/zinc/63/06/70/951630670.db2.gz XEFOXHIXCATMOY-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077185 951662139 /nfs/dbraw/zinc/66/21/39/951662139.db2.gz AAHHELUUKVPDHF-KGLIPLIRSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](C[NH2+]Cc1c(F)cccc1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077639 951672177 /nfs/dbraw/zinc/67/21/77/951672177.db2.gz HKBTYWZCLYRHOK-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001575077995 951675504 /nfs/dbraw/zinc/67/55/04/951675504.db2.gz IWFPJPSLRJABRI-ZBEGNZNMSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)c1cocn1)C1CC1 ZINC001575077968 951676216 /nfs/dbraw/zinc/67/62/16/951676216.db2.gz IPIGISSUUHKFNA-GOSISDBHSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)c1ncc[nH]1)C1CC1 ZINC001575078230 951679522 /nfs/dbraw/zinc/67/95/22/951679522.db2.gz KBTAOVGGEFTFOG-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCCCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078663 951683917 /nfs/dbraw/zinc/68/39/17/951683917.db2.gz LIUDUOULGTVYJJ-BBRMVZONSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1(C)CCOCC1 ZINC001575079052 951686964 /nfs/dbraw/zinc/68/69/64/951686964.db2.gz OYYCOHWIYVICIR-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)CCc1cn[nH]c1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080106 951704707 /nfs/dbraw/zinc/70/47/07/951704707.db2.gz UYOVIIZDKCVRBC-GFCCVEGCSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@@H](C[NH2+]CCCC1CCOCC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575080209 951705672 /nfs/dbraw/zinc/70/56/72/951705672.db2.gz PRYOUXHASRRUBS-ZDUSSCGKSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001575081822 951728006 /nfs/dbraw/zinc/72/80/06/951728006.db2.gz SLDBLNUQIMJACK-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC1CCOCC1 ZINC001575082692 951736610 /nfs/dbraw/zinc/73/66/10/951736610.db2.gz YBFWZYWSEXMFLO-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575088709 951742653 /nfs/dbraw/zinc/74/26/53/951742653.db2.gz BEHGORNJWBCJOO-GTNSWQLSSA-N 1 0 376.486 1.339 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089891 951754889 /nfs/dbraw/zinc/75/48/89/951754889.db2.gz IHVMZNUELQWMTB-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001575091071 951767759 /nfs/dbraw/zinc/76/77/59/951767759.db2.gz NNHNJJAEBVLXBQ-IBGZPJMESA-N 1 0 380.456 1.207 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091878 951785860 /nfs/dbraw/zinc/78/58/60/951785860.db2.gz WKYPOHONCHRHDG-CQSZACIVSA-N 1 0 380.456 1.131 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001575091854 951785938 /nfs/dbraw/zinc/78/59/38/951785938.db2.gz VYTZZKNZZLCSDJ-LJQANCHMSA-N 1 0 381.440 1.472 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1Cl)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095069 951808704 /nfs/dbraw/zinc/80/87/04/951808704.db2.gz QRDBDTOJTLDEQL-NSHDSACASA-N 1 0 388.863 1.409 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100479 951843792 /nfs/dbraw/zinc/84/37/92/951843792.db2.gz SWRCBBIIGGYTMQ-LLVKDONJSA-N 1 0 391.526 1.859 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCC1(F)F)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101468 951860197 /nfs/dbraw/zinc/86/01/97/951860197.db2.gz FDQAMDNGFUNWSJ-MFKMUULPSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)Cc1cncs1 ZINC001575101646 951861961 /nfs/dbraw/zinc/86/19/61/951861961.db2.gz HSPBBNNNQNRJPX-SNVBAGLBSA-N 1 0 377.499 1.564 20 0 GDADRO C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101640 951862359 /nfs/dbraw/zinc/86/23/59/951862359.db2.gz HRGLMPICKPAZPO-DLOVCJGASA-N 1 0 382.390 1.749 20 0 GDADRO C[C@@H](CNC(=O)c1ccncc1F)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102659 951870788 /nfs/dbraw/zinc/87/07/88/951870788.db2.gz NXHMLHWFKZOHDE-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@H](CNC(=O)C1CC(F)(F)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103821 951877742 /nfs/dbraw/zinc/87/77/42/951877742.db2.gz WIMPRWXWZWNNFP-JTQLQIEISA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1ccc(=O)[nH]c1 ZINC001575104152 951880886 /nfs/dbraw/zinc/88/08/86/951880886.db2.gz BSJBPLBDDAESCW-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CNC(=O)C1(CCF)CC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575104294 951884455 /nfs/dbraw/zinc/88/44/55/951884455.db2.gz ZAWJECJGDKTDNN-GFCCVEGCSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@H](CNC(=O)[C@H]1Cc2cccnc2C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104449 951885457 /nfs/dbraw/zinc/88/54/57/951885457.db2.gz CSSFWTUGCCDDOG-KSSFIOAISA-N 1 0 391.479 1.519 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1ccncc1)C1CC1 ZINC001575105607 951896031 /nfs/dbraw/zinc/89/60/31/951896031.db2.gz LJPFGAQFRKKPJK-HXUWFJFHSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)C1=COCCC1)C1CC1 ZINC001575105605 951896630 /nfs/dbraw/zinc/89/66/30/951896630.db2.gz LFYSFAIICCPDND-HXUWFJFHSA-N 1 0 382.468 1.936 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(F)cn1)(NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001575105899 951900805 /nfs/dbraw/zinc/90/08/05/951900805.db2.gz PGVUYFOUGXMIJF-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575105838 951901027 /nfs/dbraw/zinc/90/10/27/951901027.db2.gz OLHIUUZKAYIACQ-JSGCOSHPSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CC12CCOCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106532 951904570 /nfs/dbraw/zinc/90/45/70/951904570.db2.gz RTQLERZYZUWGOI-RHSMWYFYSA-N 1 0 384.484 1.525 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnccn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106859 951909655 /nfs/dbraw/zinc/90/96/55/951909655.db2.gz VTZHIIIKYZVULT-CQSZACIVSA-N 1 0 380.456 1.131 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1Cl)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108893 951927675 /nfs/dbraw/zinc/92/76/75/951927675.db2.gz PAYYWLXHJRPGCM-NSHDSACASA-N 1 0 388.863 1.409 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575109948 951935514 /nfs/dbraw/zinc/93/55/14/951935514.db2.gz WLRBTJNZGLAZTB-ZDUSSCGKSA-N 1 0 386.435 1.283 20 0 GDADRO C[C@@H](CNC(=O)c1cncnc1C1CC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110317 951939664 /nfs/dbraw/zinc/93/96/64/951939664.db2.gz ZGXHEHZRHNZHSA-CYBMUJFWSA-N 1 0 392.467 1.690 20 0 GDADRO C[C@@H](CNC(=O)CCC1CCOCC1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113722 951945852 /nfs/dbraw/zinc/94/58/52/951945852.db2.gz DOMJFWDVKVTMAV-OAHLLOKOSA-N 1 0 386.500 1.915 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001575113992 951950577 /nfs/dbraw/zinc/95/05/77/951950577.db2.gz JXOMTPGGKSAUGP-ZDUSSCGKSA-N 1 0 382.472 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(N(C)C)c1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575114121 951955465 /nfs/dbraw/zinc/95/54/65/951955465.db2.gz NARNGFKPEMRNEC-CYBMUJFWSA-N 1 0 382.472 1.511 20 0 GDADRO C[C@@H](CNC(=O)Cc1ncccc1F)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114755 951958148 /nfs/dbraw/zinc/95/81/48/951958148.db2.gz SGMAUDIPQHXBDX-CYBMUJFWSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)c1cncnc1)C1CC1 ZINC001575115528 951966443 /nfs/dbraw/zinc/96/64/43/951966443.db2.gz XRXRPCUHRPLGHG-IBGZPJMESA-N 1 0 378.440 1.345 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001575121477 951996680 /nfs/dbraw/zinc/99/66/80/951996680.db2.gz FJZDQEBBSBNHQL-GDBMZVCRSA-N 1 0 386.504 1.783 20 0 GDADRO C[C@@](CNc1ccc(-c2nn[nH]n2)nc1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575124359 952029195 /nfs/dbraw/zinc/02/91/95/952029195.db2.gz IBLYYSWHHZJGDB-SFHVURJKSA-N 1 0 382.472 1.054 20 0 GDADRO C[C@](CNc1cccc(F)c1-c1nn[nH]n1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001575133732 952107151 /nfs/dbraw/zinc/10/71/51/952107151.db2.gz GLZQMKMUKWWKKQ-LJQANCHMSA-N 1 0 387.463 1.798 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CCc1cccnc1)C1CC1 ZINC001575145516 952186167 /nfs/dbraw/zinc/18/61/67/952186167.db2.gz ZBIHCOOINOKRRO-HXUWFJFHSA-N 1 0 392.467 1.408 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCCc1ccccn1 ZINC001575147077 952198209 /nfs/dbraw/zinc/19/82/09/952198209.db2.gz POMNZMNMRLUIBQ-CQSZACIVSA-N 1 0 380.456 1.360 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575188558 952449120 /nfs/dbraw/zinc/44/91/20/952449120.db2.gz JKJWSFHCVVOFDN-STQMWFEESA-N 1 0 383.431 1.618 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575197273 952481494 /nfs/dbraw/zinc/48/14/94/952481494.db2.gz RNBCVEOGPOMSJD-HSBZDZAISA-N 1 0 381.440 1.462 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001575197324 952482997 /nfs/dbraw/zinc/48/29/97/952482997.db2.gz UBNSBQFPGHSHPL-SJCJKPOMSA-N 1 0 381.440 1.462 20 0 GDADRO O=C(CC1CC(F)(F)C1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571120932 952512144 /nfs/dbraw/zinc/51/21/44/952512144.db2.gz UMGVPVODZFNUBU-OAHLLOKOSA-N 1 0 376.411 1.993 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC2(C1)CC[NH+](C/C=C\Cl)CC2 ZINC001571121006 952512695 /nfs/dbraw/zinc/51/26/95/952512695.db2.gz UQLWHFNIEYASBQ-XFSBKJJWSA-N 1 0 375.864 1.875 20 0 GDADRO O=C(c1cc(Cl)cs1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571121086 952514946 /nfs/dbraw/zinc/51/49/46/952514946.db2.gz VNDHGDPNOUBYFO-SNVBAGLBSA-N 1 0 375.845 1.725 20 0 GDADRO CC(C)[C@@H](O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571122292 952525046 /nfs/dbraw/zinc/52/50/46/952525046.db2.gz IHUQXCFTXPWDBW-CZUORRHYSA-N 1 0 376.436 1.103 20 0 GDADRO CC(F)(F)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001575210944 952543182 /nfs/dbraw/zinc/54/31/82/952543182.db2.gz LAEDZSWTDJJWID-XYYAHUGASA-N 1 0 380.374 1.455 20 0 GDADRO CC(F)(F)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCCO1 ZINC001575211671 952550250 /nfs/dbraw/zinc/55/02/50/952550250.db2.gz YBFYHSNTAWNRBM-CQSZACIVSA-N 1 0 380.399 1.229 20 0 GDADRO Cc1cccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571127284 952552852 /nfs/dbraw/zinc/55/28/52/952552852.db2.gz CNSZTJNROBJNNP-RHSMWYFYSA-N 1 0 377.452 1.820 20 0 GDADRO Cc1ccccc1CC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571128666 952570341 /nfs/dbraw/zinc/57/03/41/952570341.db2.gz WIXBMDJTQOSJKD-KDOFPFPSSA-N 1 0 377.452 1.494 20 0 GDADRO Cc1cncc(C(=O)N[C@@H]2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001571133995 952584117 /nfs/dbraw/zinc/58/41/17/952584117.db2.gz ATCVQCLUZKLHEY-XJKSGUPXSA-N 1 0 378.440 1.398 20 0 GDADRO Cc1ccnc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571134165 952585676 /nfs/dbraw/zinc/58/56/76/952585676.db2.gz FOJMNXZNYYKRDC-KOMQPUFPSA-N 1 0 378.440 1.263 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2cccnn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571134345 952589126 /nfs/dbraw/zinc/58/91/26/952589126.db2.gz DLFZCUNCNBIXAK-XJKSGUPXSA-N 1 0 378.440 1.440 20 0 GDADRO Cc1nccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571134455 952590801 /nfs/dbraw/zinc/59/08/01/952590801.db2.gz IHGYKRJAZPJPJG-MRXNPFEDSA-N 1 0 378.440 1.360 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)[nH]n1 ZINC001571134557 952591384 /nfs/dbraw/zinc/59/13/84/952591384.db2.gz GTKXNECOCCATNP-INMHGKMJSA-N 1 0 378.440 1.434 20 0 GDADRO Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)c3cc[nH]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134847 952596538 /nfs/dbraw/zinc/59/65/38/952596538.db2.gz OIKWNGAQXCFYLB-LIRRHRJNSA-N 1 0 378.440 1.687 20 0 GDADRO Cc1cnc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571134912 952597879 /nfs/dbraw/zinc/59/78/79/952597879.db2.gz OSFMIJLDIQVSTC-AWEZNQCLSA-N 1 0 378.440 1.217 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccccn2)CC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571135223 952601670 /nfs/dbraw/zinc/60/16/70/952601670.db2.gz RJQIIMVOKQXSNX-KGLIPLIRSA-N 1 0 378.440 1.289 20 0 GDADRO Cc1cc(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C)cnn1 ZINC001571135433 952603928 /nfs/dbraw/zinc/60/39/28/952603928.db2.gz VUHHPWMKJFJKRX-XJKSGUPXSA-N 1 0 378.440 1.358 20 0 GDADRO Cc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001571136552 952613605 /nfs/dbraw/zinc/61/36/05/952613605.db2.gz QOFMODZUYGXWAZ-MSOLQXFVSA-N 1 0 378.436 1.150 20 0 GDADRO COc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571136611 952614931 /nfs/dbraw/zinc/61/49/31/952614931.db2.gz STNCMUGEAZQNLW-CALCHBBNSA-N 1 0 378.436 1.926 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)c1ccccn1 ZINC001571139319 952620270 /nfs/dbraw/zinc/62/02/70/952620270.db2.gz FTFBGCBSMFKUPX-QLPKVWCKSA-N 1 0 379.399 1.261 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001571140313 952624643 /nfs/dbraw/zinc/62/46/43/952624643.db2.gz BLJDEWHAVICLCV-INIZCTEOSA-N 1 0 379.424 1.314 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c(-c2nn[nH]n2)c1 ZINC001571140561 952627824 /nfs/dbraw/zinc/62/78/24/952627824.db2.gz CZFQITQJSFUGTQ-UHFFFAOYSA-N 1 0 378.502 1.716 20 0 GDADRO CCOc1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001571140781 952628342 /nfs/dbraw/zinc/62/83/42/952628342.db2.gz GKSVBPXTAGLCDE-CQSZACIVSA-N 1 0 379.424 1.409 20 0 GDADRO Cc1nnccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571141592 952635034 /nfs/dbraw/zinc/63/50/34/952635034.db2.gz IRYFGZICUDINDW-OAHLLOKOSA-N 1 0 378.440 1.360 20 0 GDADRO C[C@]1(NC(=O)c2cccc(=O)[nH]2)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571141740 952636051 /nfs/dbraw/zinc/63/60/51/952636051.db2.gz LZZZYCCPDQDCNU-IBGZPJMESA-N 1 0 379.424 1.362 20 0 GDADRO COc1cccc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571141765 952636376 /nfs/dbraw/zinc/63/63/76/952636376.db2.gz MISJSCVTLWLJCQ-OAHLLOKOSA-N 1 0 379.424 1.275 20 0 GDADRO Cc1ocnc1C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571142355 952640922 /nfs/dbraw/zinc/64/09/22/952640922.db2.gz RLYCOYBKKNBGIS-UHFFFAOYSA-N 1 0 379.424 1.511 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571142551 952643153 /nfs/dbraw/zinc/64/31/53/952643153.db2.gz XABYUVLLFBPWBR-WBMJQRKESA-N 1 0 379.424 1.218 20 0 GDADRO C[C@H](NC(=O)c1ccncn1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571146951 952655702 /nfs/dbraw/zinc/65/57/02/952655702.db2.gz DNJIXOWXBHCEPC-LBPRGKRZSA-N 1 0 379.428 1.087 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1ncccc1O ZINC001571148238 952666732 /nfs/dbraw/zinc/66/67/32/952666732.db2.gz WJWUHWCKLJNZSY-AWEZNQCLSA-N 1 0 379.424 1.362 20 0 GDADRO CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001571151401 952674641 /nfs/dbraw/zinc/67/46/41/952674641.db2.gz PWPRYUPHZVGFRV-KRWDZBQOSA-N 1 0 379.468 1.974 20 0 GDADRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[nH]n3)cc1F)C2)C(F)F ZINC001571153314 952685429 /nfs/dbraw/zinc/68/54/29/952685429.db2.gz OCRPJTPUQYBGTA-UHFFFAOYSA-N 1 0 380.374 1.788 20 0 GDADRO CCc1oncc1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571155060 952691392 /nfs/dbraw/zinc/69/13/92/952691392.db2.gz FZMPILYMRATEFP-TXEJJXNPSA-N 1 0 380.412 1.021 20 0 GDADRO COC(=O)[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccn2)C[C@H]1c1ccc(O)cc1 ZINC001571155496 952697699 /nfs/dbraw/zinc/69/76/99/952697699.db2.gz UOIWYIVSHFYCMJ-DLBZAZTESA-N 1 0 380.408 1.356 20 0 GDADRO O=C(NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ocnc1C1CC1 ZINC001571160231 952723758 /nfs/dbraw/zinc/72/37/58/952723758.db2.gz FGVYQVRBXLKBNO-NSHDSACASA-N 1 0 380.412 1.383 20 0 GDADRO CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cnc[nH]1 ZINC001571165438 952750528 /nfs/dbraw/zinc/75/05/28/952750528.db2.gz DCWYIKOIASZKKS-AWEZNQCLSA-N 1 0 380.456 1.258 20 0 GDADRO O=C(Cc1ccccc1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571165924 952756545 /nfs/dbraw/zinc/75/65/45/952756545.db2.gz IYTSCZWSCVSOPR-QAQDUYKDSA-N 1 0 380.427 1.985 20 0 GDADRO C[C@H]1CN(C(=O)Cc2ccco2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571166245 952759592 /nfs/dbraw/zinc/75/95/92/952759592.db2.gz KLTGYCDPSOASRQ-HOCLYGCPSA-N 1 0 380.452 1.887 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571166241 952760114 /nfs/dbraw/zinc/76/01/14/952760114.db2.gz KLTGYCDPSOASRQ-GDBMZVCRSA-N 1 0 380.452 1.887 20 0 GDADRO CC1(C)CN(C(=O)Cn2cccn2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571167227 952771059 /nfs/dbraw/zinc/77/10/59/952771059.db2.gz ZBUUCOKAROFOIG-MRXNPFEDSA-N 1 0 380.456 1.090 20 0 GDADRO CN(C)c1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571169359 952772477 /nfs/dbraw/zinc/77/24/77/952772477.db2.gz AOVMXFNRSIFOKH-HNNXBMFYSA-N 1 0 380.456 1.265 20 0 GDADRO Cc1ncc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571169371 952772514 /nfs/dbraw/zinc/77/25/14/952772514.db2.gz AUGKADNZIGBIDS-LRDDRELGSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1cc(NCC[C@H]2CCN(C(=O)c3cccn3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169461 952773468 /nfs/dbraw/zinc/77/34/68/952773468.db2.gz DDOLLYPDQAWGIK-AWEZNQCLSA-N 1 0 380.456 1.295 20 0 GDADRO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)cnn1C ZINC001571169427 952774117 /nfs/dbraw/zinc/77/41/17/952774117.db2.gz CEIRCFUTINZJPY-SJKOYZFVSA-N 1 0 380.456 1.159 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)[C@@H](C)C2)n1 ZINC001571169615 952775836 /nfs/dbraw/zinc/77/58/36/952775836.db2.gz HZUSXFQUHSKYIK-ZFWWWQNUSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C)[nH]n1 ZINC001571169702 952777037 /nfs/dbraw/zinc/77/70/37/952777037.db2.gz KUSJQZKVRTVURF-DZGCQCFKSA-N 1 0 380.456 1.681 20 0 GDADRO CCn1ccnc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169749 952778160 /nfs/dbraw/zinc/77/81/60/952778160.db2.gz LSKZXOJIHPZKBO-LJQANCHMSA-N 1 0 380.456 1.478 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001571169734 952778189 /nfs/dbraw/zinc/77/81/89/952778189.db2.gz LJZWEILAQBDQJN-OAHLLOKOSA-N 1 0 380.456 1.113 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2)n1C ZINC001571170469 952785551 /nfs/dbraw/zinc/78/55/51/952785551.db2.gz VFZIUTRTRYDXCT-INIZCTEOSA-N 1 0 380.456 1.255 20 0 GDADRO Cc1[nH]ccc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571170908 952790354 /nfs/dbraw/zinc/79/03/54/952790354.db2.gz ZFIHHKFULMMKMG-MEDUHNTESA-N 1 0 380.456 1.591 20 0 GDADRO Cc1ncccc1C[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571171933 952799269 /nfs/dbraw/zinc/79/92/69/952799269.db2.gz IUEAQNQVRJCXRH-CQSZACIVSA-N 1 0 380.456 1.540 20 0 GDADRO Cc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571171939 952799557 /nfs/dbraw/zinc/79/95/57/952799557.db2.gz IXTBTTBHZGJMLE-SJKOYZFVSA-N 1 0 380.456 1.159 20 0 GDADRO Cn1cnc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC001571172358 952805193 /nfs/dbraw/zinc/80/51/93/952805193.db2.gz TXSLCYGJFRQPBE-WKILWMFISA-N 1 0 380.456 1.431 20 0 GDADRO Cn1ccc(C(=O)NCC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC001571172333 952805761 /nfs/dbraw/zinc/80/57/61/952805761.db2.gz SSNKQBCHAXZZLP-UHFFFAOYSA-N 1 0 380.456 1.242 20 0 GDADRO Cc1nn(C)cc1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172589 952808087 /nfs/dbraw/zinc/80/80/87/952808087.db2.gz XYERRJXNMFKNRL-INIZCTEOSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1(C)C ZINC001571172559 952808486 /nfs/dbraw/zinc/80/84/86/952808486.db2.gz XDICFAZVKJFOIZ-MRXNPFEDSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1ccc(F)cc1C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571178174 952835989 /nfs/dbraw/zinc/83/59/89/952835989.db2.gz ALDKGYJEUFXBBV-CYBMUJFWSA-N 1 0 381.415 1.966 20 0 GDADRO Cc1ncc(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC001571180252 952858682 /nfs/dbraw/zinc/85/86/82/952858682.db2.gz NMPRHHUIMLQHAM-MRXNPFEDSA-N 1 0 381.440 1.486 20 0 GDADRO Cc1cc(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)no1 ZINC001571180549 952860604 /nfs/dbraw/zinc/86/06/04/952860604.db2.gz QRDLWQKYKDPKGM-OAHLLOKOSA-N 1 0 381.440 1.486 20 0 GDADRO Cc1noc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC001571180917 952861939 /nfs/dbraw/zinc/86/19/39/952861939.db2.gz REXOKIWGIJXQRR-BDJLRTHQSA-N 1 0 381.440 1.722 20 0 GDADRO Cc1nc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)co1 ZINC001571181390 952864030 /nfs/dbraw/zinc/86/40/30/952864030.db2.gz VZPTVFAWMBJEQR-INIZCTEOSA-N 1 0 381.440 1.948 20 0 GDADRO Cc1cc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C(C)(C)C2)no1 ZINC001571181785 952865589 /nfs/dbraw/zinc/86/55/89/952865589.db2.gz YHIFIWOMQWPWFJ-INIZCTEOSA-N 1 0 381.440 1.804 20 0 GDADRO C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccoc1 ZINC001571182968 952871764 /nfs/dbraw/zinc/87/17/64/952871764.db2.gz LAFRZVPKCWRAPM-DZGCQCFKSA-N 1 0 381.440 1.701 20 0 GDADRO O=C(Cc1ccc(F)cn1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571182981 952872212 /nfs/dbraw/zinc/87/22/12/952872212.db2.gz LMFYJFXJDFPHPH-QAQDUYKDSA-N 1 0 381.415 1.380 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571183056 952873322 /nfs/dbraw/zinc/87/33/22/952873322.db2.gz NARUDWOQNODPGF-DIFFPNOSSA-N 1 0 381.415 1.826 20 0 GDADRO COCc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571183153 952874170 /nfs/dbraw/zinc/87/41/70/952874170.db2.gz QDSAKKROTOCHIG-HNNXBMFYSA-N 1 0 381.440 1.346 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571183214 952875541 /nfs/dbraw/zinc/87/55/41/952875541.db2.gz SSRHMILQEMSYQC-KBPBESRZSA-N 1 0 381.440 1.558 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)Nc2cnn(-c3ncccc3-c3nn[nH]n3)c2)C1 ZINC001571186260 952905981 /nfs/dbraw/zinc/90/59/81/952905981.db2.gz ULGRKEFOGZSJHT-TZMCWYRMSA-N 1 0 381.444 1.506 20 0 GDADRO Cc1ncn(C)c1C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571188582 952916792 /nfs/dbraw/zinc/91/67/92/952916792.db2.gz LKAHGXNPRORIJO-ZDUSSCGKSA-N 1 0 381.444 1.011 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)c3ccnn3C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188674 952918646 /nfs/dbraw/zinc/91/86/46/952918646.db2.gz MNJTYBHKPDPGHH-GXTWGEPZSA-N 1 0 381.444 1.091 20 0 GDADRO Cc1ncn(C)c1C(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571189264 952926230 /nfs/dbraw/zinc/92/62/30/952926230.db2.gz UGTPEPVOMIJTPT-SFHVURJKSA-N 1 0 381.444 1.011 20 0 GDADRO Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)ncn1 ZINC001571189576 952930606 /nfs/dbraw/zinc/93/06/06/952930606.db2.gz XNRBSQNJFHWVEN-STQMWFEESA-N 1 0 381.444 1.076 20 0 GDADRO Cc1[nH]nc(C(=O)N[C@@]2(C)CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1C ZINC001571189506 952930795 /nfs/dbraw/zinc/93/07/95/952930795.db2.gz WJUSZJCJTKPLSU-SFHVURJKSA-N 1 0 381.444 1.309 20 0 GDADRO Cc1cnc([C@H](C)[NH2+][C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)cn1 ZINC001571189572 952931044 /nfs/dbraw/zinc/93/10/44/952931044.db2.gz XNQJMPDJJQILGU-RSAASHCRSA-N 1 0 381.444 1.105 20 0 GDADRO Cc1nc(C(=O)N(C)C2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)c[nH]1 ZINC001571189660 952933670 /nfs/dbraw/zinc/93/36/70/952933670.db2.gz ZTKKFTDIACHEHQ-UHFFFAOYSA-N 1 0 381.444 1.343 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571196187 952980502 /nfs/dbraw/zinc/98/05/02/952980502.db2.gz IQEYSGSSGHHUAV-BDJLRTHQSA-N 1 0 382.403 1.046 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1ccncn1 ZINC001571197190 952987386 /nfs/dbraw/zinc/98/73/86/952987386.db2.gz UASJPNXFGLWABO-FZMZJTMJSA-N 1 0 382.403 1.189 20 0 GDADRO CCc1nc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H](C)C2)co1 ZINC001571199009 952995644 /nfs/dbraw/zinc/99/56/44/952995644.db2.gz JXLZREHUQZIMGF-AAEUAGOBSA-N 1 0 382.428 1.197 20 0 GDADRO CCc1cc(C(=O)N2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)no1 ZINC001571199214 952997751 /nfs/dbraw/zinc/99/77/51/952997751.db2.gz NKUUQGVMJPAGDI-OAHLLOKOSA-N 1 0 382.428 1.197 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@@]2(C)CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571200496 953009291 /nfs/dbraw/zinc/00/92/91/953009291.db2.gz CPZVPAPNNKMOAM-SFHVURJKSA-N 1 0 382.428 1.574 20 0 GDADRO O=C(c1cccnn1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001571200841 953013158 /nfs/dbraw/zinc/01/31/58/953013158.db2.gz MMOGGYMFUSBGRG-UHFFFAOYSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)on1 ZINC001571202275 953024593 /nfs/dbraw/zinc/02/45/93/953024593.db2.gz SINYQHPFWLNTJB-XHDPSFHLSA-N 1 0 382.428 1.333 20 0 GDADRO Cc1cnoc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202739 953027891 /nfs/dbraw/zinc/02/78/91/953027891.db2.gz XRVBRRCAQULODE-CHWSQXEVSA-N 1 0 382.428 1.333 20 0 GDADRO Cc1cnoc1C(=O)N1CCC[C@@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202741 953028269 /nfs/dbraw/zinc/02/82/69/953028269.db2.gz XRVBRRCAQULODE-QWHCGFSZSA-N 1 0 382.428 1.333 20 0 GDADRO Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571205349 953037138 /nfs/dbraw/zinc/03/71/38/953037138.db2.gz HQHIOWHMZAGWCP-IAQYHMDHSA-N 1 0 382.428 1.056 20 0 GDADRO Cc1nonc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571206856 953056680 /nfs/dbraw/zinc/05/66/80/953056680.db2.gz SEZLXNDRRWMJOM-AWEZNQCLSA-N 1 0 382.428 1.200 20 0 GDADRO C[C@H]1CN(C(=O)C2=COCCC2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571210183 953070182 /nfs/dbraw/zinc/07/01/82/953070182.db2.gz NNSKZJFPRPZMEC-YOEHRIQHSA-N 1 0 382.468 1.745 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)[C@H]1CCCOC1 ZINC001571210164 953070212 /nfs/dbraw/zinc/07/02/12/953070212.db2.gz NCLDRSMZIQYFPK-LEUOFYLZSA-N 1 0 382.468 1.087 20 0 GDADRO O=C(N[C@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nn[nH]n1)CC2)[C@@H]1CCCO1 ZINC001571210405 953071911 /nfs/dbraw/zinc/07/19/11/953071911.db2.gz QVVLLKIADHCRKS-QKLQHJQFSA-N 1 0 382.468 1.659 20 0 GDADRO Cc1nscc1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571210433 953072299 /nfs/dbraw/zinc/07/22/99/953072299.db2.gz ROFMYPMUYKMQGG-JYAVWHMHSA-N 1 0 382.453 1.200 20 0 GDADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571213686 953096658 /nfs/dbraw/zinc/09/66/58/953096658.db2.gz UIRPIFKFCSWXCH-TVFCKZIOSA-N 1 0 382.468 1.515 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001571217843 953110884 /nfs/dbraw/zinc/11/08/84/953110884.db2.gz QBMINDMZZAWHDF-WDEREUQCSA-N 1 0 383.378 1.533 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3nocc3C)C2)cc1-c1nn[nH]n1 ZINC001571218952 953120591 /nfs/dbraw/zinc/12/05/91/953120591.db2.gz HVEUTGTVHLSZAW-ZDUSSCGKSA-N 1 0 383.412 1.176 20 0 GDADRO COCc1ccc(C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571219316 953124944 /nfs/dbraw/zinc/12/49/44/953124944.db2.gz NUBQKPDTKFVJRF-GFCCVEGCSA-N 1 0 383.412 1.140 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)c1 ZINC001571229259 953168660 /nfs/dbraw/zinc/16/86/60/953168660.db2.gz BIEKAGWUAHLFSU-CQSZACIVSA-N 1 0 383.431 1.596 20 0 GDADRO Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571229335 953168953 /nfs/dbraw/zinc/16/89/53/953168953.db2.gz CIPZRAFGTMQDPL-NNUKFRKNSA-N 1 0 383.431 1.941 20 0 GDADRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1CNC(=O)c1cc[nH]c1 ZINC001571229990 953172876 /nfs/dbraw/zinc/17/28/76/953172876.db2.gz QIVOMHSAGKPAPB-IUODEOHRSA-N 1 0 383.431 1.832 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001571230374 953176705 /nfs/dbraw/zinc/17/67/05/953176705.db2.gz WOWLRDUUXCSXBA-TZMCWYRMSA-N 1 0 383.431 1.832 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001571230373 953177027 /nfs/dbraw/zinc/17/70/27/953177027.db2.gz WOWLRDUUXCSXBA-OCCSQVGLSA-N 1 0 383.431 1.832 20 0 GDADRO Cc1cc(N2CCC3(C[C@@H]3NC(=O)[C@H]3CCCO3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233482 953192920 /nfs/dbraw/zinc/19/29/20/953192920.db2.gz WGIHJLGPSKWYSC-CVEARBPZSA-N 1 0 383.456 1.224 20 0 GDADRO Cc1cc(C)nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571233920 953196953 /nfs/dbraw/zinc/19/69/53/953196953.db2.gz IAXYARGMCQRTBJ-JOCQHMNTSA-N 1 0 383.481 1.991 20 0 GDADRO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](C)C2)nn1C ZINC001571234110 953198783 /nfs/dbraw/zinc/19/87/83/953198783.db2.gz NFRWBGWLXUFLBZ-QWHCGFSZSA-N 1 0 383.460 1.020 20 0 GDADRO O=C(c1ccncc1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571234265 953200765 /nfs/dbraw/zinc/20/07/65/953200765.db2.gz REQRWHHASHKFJJ-ZDUSSCGKSA-N 1 0 383.481 1.965 20 0 GDADRO Cc1sccc1CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571234415 953202368 /nfs/dbraw/zinc/20/23/68/953202368.db2.gz WVGPFMKGNMUGEA-CQSZACIVSA-N 1 0 383.481 1.878 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)[nH]n1 ZINC001571239176 953236775 /nfs/dbraw/zinc/23/67/75/953236775.db2.gz HHQBVDYAMSRXLC-CQSZACIVSA-N 1 0 384.419 1.432 20 0 GDADRO O=C(Cc1ccco1)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571239440 953239650 /nfs/dbraw/zinc/23/96/50/953239650.db2.gz LUGGGPKQNTVTPZ-OAHLLOKOSA-N 1 0 384.415 1.922 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571239640 953241396 /nfs/dbraw/zinc/24/13/96/953241396.db2.gz OWCPRGHNWKCEKO-GOEBONIOSA-N 1 0 384.419 1.512 20 0 GDADRO O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ncc[nH]1 ZINC001571242236 953254815 /nfs/dbraw/zinc/25/48/15/953254815.db2.gz XIDGYTPSOWNZMY-RISCZKNCSA-N 1 0 384.419 1.417 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ncc[nH]1 ZINC001571242295 953254956 /nfs/dbraw/zinc/25/49/56/953254956.db2.gz YSGNPZKUZQQETH-CYBMUJFWSA-N 1 0 384.419 1.371 20 0 GDADRO CCN(C(=O)c1ccsn1)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571245620 953275257 /nfs/dbraw/zinc/27/52/57/953275257.db2.gz XCFPHFOMFKIORX-GFCCVEGCSA-N 1 0 384.469 1.768 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)c2cscn2)CC1 ZINC001571246073 953280155 /nfs/dbraw/zinc/28/01/55/953280155.db2.gz RVWWPRKBGKQMLF-LLVKDONJSA-N 1 0 384.469 1.493 20 0 GDADRO O=C(c1cnsn1)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571247565 953283266 /nfs/dbraw/zinc/28/32/66/953283266.db2.gz AGJFRYZBIOILJE-LBPRGKRZSA-N 1 0 384.469 1.360 20 0 GDADRO O=C(N[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2)c1cn[nH]c1 ZINC001571247625 953284329 /nfs/dbraw/zinc/28/43/29/953284329.db2.gz BFDGQZXRLJCKCK-AWEZNQCLSA-N 1 0 384.469 1.436 20 0 GDADRO CO[C@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001571247976 953288490 /nfs/dbraw/zinc/28/84/90/953288490.db2.gz KFEYULVPKCZQJM-SFHVURJKSA-N 1 0 384.484 1.620 20 0 GDADRO O=C(Cc1cscn1)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571248189 953290373 /nfs/dbraw/zinc/29/03/73/953290373.db2.gz NCPBUGAZVCGYRM-FZMZJTMJSA-N 1 0 384.469 1.080 20 0 GDADRO COC1CC(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571248651 953296396 /nfs/dbraw/zinc/29/63/96/953296396.db2.gz WZFICRGQEOIQGC-LXPRWKDFSA-N 1 0 384.484 1.762 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001571250189 953309171 /nfs/dbraw/zinc/30/91/71/953309171.db2.gz ODHGEDXVHXVGNM-ZBFHGGJFSA-N 1 0 384.488 1.221 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001571250187 953309378 /nfs/dbraw/zinc/30/93/78/953309378.db2.gz NYVIVLBAADYVSH-ZBFHGGJFSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001571250622 953312853 /nfs/dbraw/zinc/31/28/53/953312853.db2.gz REKAKMBLBPVLKR-AWEZNQCLSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571251869 953320690 /nfs/dbraw/zinc/32/06/90/953320690.db2.gz BRMXKOOPTGSCIK-UKPHBRMFSA-N 1 0 384.488 1.395 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571252091 953322547 /nfs/dbraw/zinc/32/25/47/953322547.db2.gz GYRXXKJIPHCVPK-GDBMZVCRSA-N 1 0 384.488 1.539 20 0 GDADRO Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)ccc1-c1nn[nH]n1 ZINC001571252143 953323937 /nfs/dbraw/zinc/32/39/37/953323937.db2.gz IGAYGRYJEVRXKA-WQVCFCJDSA-N 1 0 384.488 1.313 20 0 GDADRO CN(C(=O)CC1CC[NH+](C)CC1)C1CC(Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571252693 953331517 /nfs/dbraw/zinc/33/15/17/953331517.db2.gz UESKSNKKGHVGAW-UHFFFAOYSA-N 1 0 384.488 1.395 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NCC2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571252875 953333519 /nfs/dbraw/zinc/33/35/19/953333519.db2.gz XQPAHENJNLMDSN-NFOMZHRRSA-N 1 0 384.488 1.219 20 0 GDADRO Cc1conc1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@H]1C ZINC001571253870 953334977 /nfs/dbraw/zinc/33/49/77/953334977.db2.gz AANACSRYCBTLKT-IAQYHMDHSA-N 1 0 385.403 1.695 20 0 GDADRO CN(C(=O)Cc1cnoc1)[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571254601 953339699 /nfs/dbraw/zinc/33/96/99/953339699.db2.gz HGZURLZMNOUUDY-CQSZACIVSA-N 1 0 385.403 1.269 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1c(F)cncc1F ZINC001571255052 953344793 /nfs/dbraw/zinc/34/47/93/953344793.db2.gz GYGXQGMMRBSYQG-CYBMUJFWSA-N 1 0 385.378 1.544 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ncc(F)cc1F ZINC001571255090 953345033 /nfs/dbraw/zinc/34/50/33/953345033.db2.gz HVLVXCJHOUYXKY-CQSZACIVSA-N 1 0 385.378 1.544 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)on1 ZINC001571255247 953346537 /nfs/dbraw/zinc/34/65/37/953346537.db2.gz NJOFJQHDRILTKO-MEBBXXQBSA-N 1 0 385.403 1.553 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)CN1CC[NH+](C)CC1 ZINC001589066481 955750858 /nfs/dbraw/zinc/75/08/58/955750858.db2.gz IBLUYXLKFVJJSM-DLBZAZTESA-N 1 0 378.517 1.554 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000874383095 956122805 /nfs/dbraw/zinc/12/28/05/956122805.db2.gz PKEADLWDQIDHDO-INIZCTEOSA-N 1 0 378.473 1.655 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001345782713 962296794 /nfs/dbraw/zinc/29/67/94/962296794.db2.gz JEHQAZRYOVXCMV-LJQANCHMSA-N 1 0 388.512 1.952 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000911318281 969635286 /nfs/dbraw/zinc/63/52/86/969635286.db2.gz FIBMQLGTTJSISP-KRWDZBQOSA-N 1 0 377.485 1.638 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001594514745 985851384 /nfs/dbraw/zinc/85/13/84/985851384.db2.gz BRZXWMUUQDYVMH-MJGOQNOKSA-N 1 0 388.512 1.841 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001594516547 985905399 /nfs/dbraw/zinc/90/53/99/985905399.db2.gz PSSIRTJYVAEQPT-HNNXBMFYSA-N 1 0 375.473 1.241 20 0 GDADRO C[C@H](C(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001589360218 986367149 /nfs/dbraw/zinc/36/71/49/986367149.db2.gz JHOODFCBLGNWBI-YLJYHZDGSA-N 1 0 387.524 1.804 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001598225788 990918746 /nfs/dbraw/zinc/91/87/46/990918746.db2.gz VZELUGULFLSIEB-UHFFFAOYSA-N 1 0 377.894 1.152 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001598232671 990947554 /nfs/dbraw/zinc/94/75/54/990947554.db2.gz YHGZVJDZYNPNNV-MRXNPFEDSA-N 1 0 385.468 1.497 20 0 GDADRO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001598555630 993053103 /nfs/dbraw/zinc/05/31/03/993053103.db2.gz QUTSRKPGLPNBOQ-GPMSIDNRSA-N 1 0 384.480 1.795 20 0 GDADRO COc1cccc([C@@](C)(CC(=O)[O-])[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC001599653678 994544561 /nfs/dbraw/zinc/54/45/61/994544561.db2.gz XICMOYBHSMZEID-OAQYLSRUSA-N 1 0 389.496 1.718 20 0 GDADRO COC(=O)[C@@]12CCC[C@@H]1[N@H+](C[C@H](O)C[NH+]1CC[C@@]3(C(=O)[O-])CCC[C@@H]13)CC2 ZINC001598903183 997212469 /nfs/dbraw/zinc/21/24/69/997212469.db2.gz CCFMRYQHUFMVOS-BUSATUKNSA-N 1 0 380.485 1.094 20 0 GDADRO C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001594148252 998503955 /nfs/dbraw/zinc/50/39/55/998503955.db2.gz ASRRHNHJPFBFET-WBVHZDCISA-N 1 0 375.473 1.098 20 0 GDADRO CNC(=O)Cc1nc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)cs1 ZINC001473840290 1126200879 /nfs/dbraw/zinc/20/08/79/1126200879.db2.gz VBKMMDVPTRIVFI-IBGZPJMESA-N 1 0 393.509 1.532 20 0 GDADRO Cn1ncc(CNC(=O)OC(C)(C)C)c1C[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001621248528 1126246018 /nfs/dbraw/zinc/24/60/18/1126246018.db2.gz DKMXUQATDRSIPV-MRXNPFEDSA-N 1 0 390.484 1.844 20 0 GDADRO CCOC(=O)c1cnn2cc(C[NH2+][C@@](C)(CO)Cc3ccc(OC)cc3)cnc12 ZINC001660653435 1126264932 /nfs/dbraw/zinc/26/49/32/1126264932.db2.gz RKZAKSHRPMIYLQ-OAQYLSRUSA-N 1 0 398.463 1.998 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000158925017 530537579 /nfs/dbraw/zinc/53/75/79/530537579.db2.gz JKYKQRSPEADMJC-ZDUSSCGKSA-N 1 0 377.304 1.574 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1Br ZINC000159333324 530542393 /nfs/dbraw/zinc/54/23/93/530542393.db2.gz OALKEABFIBZDDL-GFCCVEGCSA-N 1 0 390.303 1.167 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000161719288 530563011 /nfs/dbraw/zinc/56/30/11/530563011.db2.gz DUAXNKMTTJMXTK-NEPJUHHUSA-N 1 0 382.258 1.561 20 0 GDADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CC1 ZINC000162067325 530565946 /nfs/dbraw/zinc/56/59/46/530565946.db2.gz RMRAFEZBDWJFPD-RUZDIDTESA-N 1 0 377.388 1.417 20 0 GDADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000162497548 530568485 /nfs/dbraw/zinc/56/84/85/530568485.db2.gz OGRKDUDCFJUINV-AWEZNQCLSA-N 1 0 382.507 1.719 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000163129582 530573624 /nfs/dbraw/zinc/57/36/24/530573624.db2.gz UDSLDVHNFZWVGC-UHFFFAOYSA-N 1 0 385.306 1.616 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000163243559 530574897 /nfs/dbraw/zinc/57/48/97/530574897.db2.gz ICUOQRQZTSHYSC-FZMZJTMJSA-N 1 0 399.289 1.535 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCO1 ZINC000163244308 530574902 /nfs/dbraw/zinc/57/49/02/530574902.db2.gz FZCZNZAAKGNXKO-SLEUVZQESA-N 1 0 396.285 1.377 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000164280386 530579431 /nfs/dbraw/zinc/57/94/31/530579431.db2.gz ZZFKXFQMIJJKKD-CQSZACIVSA-N 1 0 394.321 1.236 20 0 GDADRO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025331421 530580593 /nfs/dbraw/zinc/58/05/93/530580593.db2.gz ZPPYZTIRWJUFSN-CQSZACIVSA-N 1 0 383.495 1.437 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000170866193 530590140 /nfs/dbraw/zinc/59/01/40/530590140.db2.gz VZAQADSOANUJCJ-CQSZACIVSA-N 1 0 389.315 1.526 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc(Br)cn2)CC1 ZINC000171399184 530598408 /nfs/dbraw/zinc/59/84/08/530598408.db2.gz CWWCLLUHKFPMGF-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 GDADRO COC(=O)c1sc2[nH]c(CSc3nc(N)cc(N)[nH+]3)nc(=O)c2c1C ZINC000031818755 530604181 /nfs/dbraw/zinc/60/41/81/530604181.db2.gz DWASANZAINRSOK-UHFFFAOYSA-N 1 0 378.439 1.326 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000041640249 530623378 /nfs/dbraw/zinc/62/33/78/530623378.db2.gz RUFNAFOFCUEVSF-ZDUSSCGKSA-N 1 0 397.317 1.530 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1ccccc1I ZINC000041950999 530625706 /nfs/dbraw/zinc/62/57/06/530625706.db2.gz WKHGKGTVSMIEIE-UHFFFAOYSA-N 1 0 376.238 1.989 20 0 GDADRO O=C(CNS(=O)(=O)c1cccs1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000042023599 530626435 /nfs/dbraw/zinc/62/64/35/530626435.db2.gz OVRPSQLFQDCUIU-OAHLLOKOSA-N 1 0 379.507 1.417 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000042589895 530629797 /nfs/dbraw/zinc/62/97/97/530629797.db2.gz PWBYQZCZRAQXFB-AWEZNQCLSA-N 1 0 384.318 1.970 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000173545262 530633034 /nfs/dbraw/zinc/63/30/34/530633034.db2.gz MVXPYDWANYKXHO-UHFFFAOYSA-N 1 0 392.319 1.325 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](CSc2ccccc2)C1 ZINC000174143164 530643899 /nfs/dbraw/zinc/64/38/99/530643899.db2.gz KWINFAXIGSNHEA-HRCADAONSA-N 1 0 382.551 1.792 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000173952966 530639709 /nfs/dbraw/zinc/63/97/09/530639709.db2.gz JXTSPQSKIDRLPJ-ZDUSSCGKSA-N 1 0 392.518 1.582 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000051762494 530681634 /nfs/dbraw/zinc/68/16/34/530681634.db2.gz ZCCPXHAKQXAIEQ-AWEZNQCLSA-N 1 0 390.311 1.439 20 0 GDADRO CN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000176388471 530682380 /nfs/dbraw/zinc/68/23/80/530682380.db2.gz AMIOFMWMOTUYQM-UHFFFAOYSA-N 1 0 382.313 1.682 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc(F)cc2Br)CC1=O ZINC000174225732 530645516 /nfs/dbraw/zinc/64/55/16/530645516.db2.gz PCMDCXYJPXSFLE-LBPRGKRZSA-N 1 0 386.265 1.615 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CC)cc1 ZINC000174704231 530652812 /nfs/dbraw/zinc/65/28/12/530652812.db2.gz QMYXWLFTBKSFHL-CQSZACIVSA-N 1 0 376.544 1.802 20 0 GDADRO CN(CC(=O)NCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000046854980 530654096 /nfs/dbraw/zinc/65/40/96/530654096.db2.gz GKSQXEIRECACKM-UHFFFAOYSA-N 1 0 379.935 1.624 20 0 GDADRO CN(CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)S(=O)(=O)c1ccc(Cl)s1 ZINC000046994983 530654558 /nfs/dbraw/zinc/65/45/58/530654558.db2.gz MUIBHGMCDYTFFC-NWDGAFQWSA-N 1 0 391.946 1.765 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC[C@@H](C)[NH+](C)C ZINC000047510942 530660598 /nfs/dbraw/zinc/66/05/98/530660598.db2.gz ORCMAPLCPHEYLF-GHMZBOCLSA-N 1 0 381.420 1.439 20 0 GDADRO C[NH+]1CCC(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000047615563 530661291 /nfs/dbraw/zinc/66/12/91/530661291.db2.gz IQBWVKZLTILWDD-UHFFFAOYSA-N 1 0 393.285 1.760 20 0 GDADRO CC1(C)CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC[NH2+]1 ZINC000175435060 530665350 /nfs/dbraw/zinc/66/53/50/530665350.db2.gz UYAKRTAUFJLSKQ-UHFFFAOYSA-N 1 0 382.258 1.385 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000176192712 530678793 /nfs/dbraw/zinc/67/87/93/530678793.db2.gz UFWNMURVICFLKZ-OAHLLOKOSA-N 1 0 381.523 1.997 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000176696665 530688833 /nfs/dbraw/zinc/68/88/33/530688833.db2.gz BXGPGNPOHAJLFN-CYBMUJFWSA-N 1 0 382.302 1.979 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000176696901 530689397 /nfs/dbraw/zinc/68/93/97/530689397.db2.gz GNSIUIYRUJTTBE-CQSZACIVSA-N 1 0 387.933 1.809 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCCCC[NH+]1CCOCC1 ZINC000053449689 530692956 /nfs/dbraw/zinc/69/29/56/530692956.db2.gz BJHJXEKKAWNSBG-UHFFFAOYSA-N 1 0 388.295 1.952 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000176920838 530693860 /nfs/dbraw/zinc/69/38/60/530693860.db2.gz NOLXGYBWILWEEL-UHFFFAOYSA-N 1 0 390.347 1.753 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000177028271 530696141 /nfs/dbraw/zinc/69/61/41/530696141.db2.gz BMRBHZRLFHKTBI-GFCCVEGCSA-N 1 0 393.962 1.965 20 0 GDADRO C[C@H]1C[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C[N@@H+]1C1CC1 ZINC000177038885 530696375 /nfs/dbraw/zinc/69/63/75/530696375.db2.gz CGVZCGBCEAVKMM-STQMWFEESA-N 1 0 383.539 1.888 20 0 GDADRO C[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[N@@H+]1C1CC1 ZINC000177093938 530696884 /nfs/dbraw/zinc/69/68/84/530696884.db2.gz KNCWVMUPYDYBDO-AAEUAGOBSA-N 1 0 385.917 1.945 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000177100556 530696981 /nfs/dbraw/zinc/69/69/81/530696981.db2.gz CGEDTNDJAWFMTL-CQSZACIVSA-N 1 0 390.933 1.574 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000177217207 530699475 /nfs/dbraw/zinc/69/94/75/530699475.db2.gz HPEUZRNLVTZRER-NXEZZACHSA-N 1 0 377.919 1.421 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)NCC[NH2+]C2CC2)cc1OC ZINC000054267170 530699881 /nfs/dbraw/zinc/69/98/81/530699881.db2.gz XPUHNEQELRQFMN-UHFFFAOYSA-N 1 0 379.276 1.497 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCC[NH2+]CC2)c1F ZINC000178360453 530719531 /nfs/dbraw/zinc/71/95/31/530719531.db2.gz LTVPQSLFNANQSU-UHFFFAOYSA-N 1 0 379.251 1.427 20 0 GDADRO C[NH+]1CCN(CCNC(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000061637963 530741893 /nfs/dbraw/zinc/74/18/93/530741893.db2.gz AAXJZSYPBOQXBI-UHFFFAOYSA-N 1 0 380.539 2.000 20 0 GDADRO COCC[N@@H+]1CCCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000056982493 530721951 /nfs/dbraw/zinc/72/19/51/530721951.db2.gz XFWDUUHPYAZABS-UHFFFAOYSA-N 1 0 385.258 1.972 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000178587220 530723118 /nfs/dbraw/zinc/72/31/18/530723118.db2.gz VRYYAINZMAGCJY-LLVKDONJSA-N 1 0 394.269 1.633 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000178562723 530723189 /nfs/dbraw/zinc/72/31/89/530723189.db2.gz SMZPPSOHCRWHLK-LBPRGKRZSA-N 1 0 389.315 1.810 20 0 GDADRO CC[NH+](CC)CCNC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000057365680 530725939 /nfs/dbraw/zinc/72/59/39/530725939.db2.gz YRCLDBIWOKJQNC-UHFFFAOYSA-N 1 0 385.306 1.820 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000057561562 530726459 /nfs/dbraw/zinc/72/64/59/530726459.db2.gz GJZGBLIPJRRVSY-GJZGRUSLSA-N 1 0 387.571 1.901 20 0 GDADRO C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[N@H+](C)C1CC1 ZINC000057721168 530727192 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GDADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)C1 ZINC000178993542 530733201 /nfs/dbraw/zinc/73/32/01/530733201.db2.gz USVQUPHFXYONID-JTQLQIEISA-N 1 0 390.303 1.086 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000179014816 530733339 /nfs/dbraw/zinc/73/33/39/530733339.db2.gz PVJFYAVKKXWVBV-QWHCGFSZSA-N 1 0 380.286 1.870 20 0 GDADRO CN(C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CC[NH2+]C1 ZINC000179068048 530735217 /nfs/dbraw/zinc/73/52/17/530735217.db2.gz ZVAJKADQXOISMU-NSHDSACASA-N 1 0 380.242 1.256 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000065974636 530757277 /nfs/dbraw/zinc/75/72/77/530757277.db2.gz JBRPMGDEFPQOSH-UHFFFAOYSA-N 1 0 387.933 1.727 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066148898 530759098 /nfs/dbraw/zinc/75/90/98/530759098.db2.gz UTPYWWYGDGSHDE-HNNXBMFYSA-N 1 0 380.286 1.876 20 0 GDADRO CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC1 ZINC000063665989 530746532 /nfs/dbraw/zinc/74/65/32/530746532.db2.gz VTQCMURVRMNSOW-UHFFFAOYSA-N 1 0 389.905 1.736 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000066924660 530769809 /nfs/dbraw/zinc/76/98/09/530769809.db2.gz AEYATPNUDRJBSP-MRXNPFEDSA-N 1 0 385.555 1.297 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000180800895 530771518 /nfs/dbraw/zinc/77/15/18/530771518.db2.gz IBHOEIUEOGMSAN-UHFFFAOYSA-N 1 0 394.513 1.966 20 0 GDADRO C[C@@H](CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[NH+]1CCCC1 ZINC000068065041 530782881 /nfs/dbraw/zinc/78/28/81/530782881.db2.gz POKPRAAMIOCZQE-NSHDSACASA-N 1 0 394.269 1.646 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCN(CC)S(C)(=O)=O ZINC000066597748 530764788 /nfs/dbraw/zinc/76/47/88/530764788.db2.gz YOCKAWBZMXAOOZ-INIZCTEOSA-N 1 0 376.567 1.612 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069797798 530799406 /nfs/dbraw/zinc/79/94/06/530799406.db2.gz GFBAKDMGGNXJMI-LBPRGKRZSA-N 1 0 395.305 1.674 20 0 GDADRO O=C(CN1CCC[C@H](C[NH+]2CCOCC2)C1)Nc1ccc(Br)cn1 ZINC000069858218 530799680 /nfs/dbraw/zinc/79/96/80/530799680.db2.gz WXCBUBQXMYXRQJ-CQSZACIVSA-N 1 0 397.317 1.827 20 0 GDADRO C[NH+](C)CCCN(C(=O)Cc1ccc(O)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000182572682 530801083 /nfs/dbraw/zinc/80/10/83/530801083.db2.gz ACKUHGIQGQJPDE-AWEZNQCLSA-N 1 0 388.917 1.556 20 0 GDADRO CC[C@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1cccc(Cl)c1 ZINC000182604115 530802217 /nfs/dbraw/zinc/80/22/17/530802217.db2.gz RRKDRVMRWFJINN-HNNXBMFYSA-N 1 0 375.922 1.778 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000071019046 530803624 /nfs/dbraw/zinc/80/36/24/530803624.db2.gz SZXKTRQUGQFZML-UHFFFAOYSA-N 1 0 398.301 1.925 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000068497898 530788370 /nfs/dbraw/zinc/78/83/70/530788370.db2.gz CLHYQFDCPSEHKB-UHFFFAOYSA-N 1 0 396.329 1.908 20 0 GDADRO NC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000181921664 530792247 /nfs/dbraw/zinc/79/22/47/530792247.db2.gz BHWCNLHNRWSXMY-CQSZACIVSA-N 1 0 384.274 1.648 20 0 GDADRO NC(=O)C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000181956227 530792998 /nfs/dbraw/zinc/79/29/98/530792998.db2.gz NMRITTNYOLSGGS-UKRRQHHQSA-N 1 0 384.274 1.236 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(C)c(Br)cc1C ZINC000184343402 530827503 /nfs/dbraw/zinc/82/75/03/530827503.db2.gz HDUBKLIPJAGVLK-UHFFFAOYSA-N 1 0 379.320 1.658 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000182988882 530808656 /nfs/dbraw/zinc/80/86/56/530808656.db2.gz RDAGHRYONBDIJP-JTQLQIEISA-N 1 0 382.258 1.994 20 0 GDADRO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000183159653 530810082 /nfs/dbraw/zinc/81/00/82/530810082.db2.gz ZLXIPKXJLFJRLJ-QWHCGFSZSA-N 1 0 387.311 1.740 20 0 GDADRO C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@H](O)CN1CCOCC1 ZINC000093583853 530814150 /nfs/dbraw/zinc/81/41/50/530814150.db2.gz LYRFWVKXKBABES-KRWDZBQOSA-N 1 0 397.313 1.850 20 0 GDADRO CC1(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[NH2+]CC1 ZINC000183376008 530814162 /nfs/dbraw/zinc/81/41/62/530814162.db2.gz FPQXJHSXMPSXRI-UHFFFAOYSA-N 1 0 393.285 1.665 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)[C@H](C)C[NH2+]1 ZINC000096866146 530818949 /nfs/dbraw/zinc/81/89/49/530818949.db2.gz BEQVVAOIBBJFRY-NXEZZACHSA-N 1 0 380.251 1.662 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000096999575 530819031 /nfs/dbraw/zinc/81/90/31/530819031.db2.gz DWMOMIBJRISOAY-GFCCVEGCSA-N 1 0 379.448 1.656 20 0 GDADRO O=C1CNC(=O)N1CC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183819380 530820637 /nfs/dbraw/zinc/82/06/37/530820637.db2.gz NPVRBZHEFFBFJT-UHFFFAOYSA-N 1 0 382.258 1.844 20 0 GDADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000097528309 530821567 /nfs/dbraw/zinc/82/15/67/530821567.db2.gz BSNYWQDUYVWEIU-DTORHVGOSA-N 1 0 395.706 1.951 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000098036016 530822267 /nfs/dbraw/zinc/82/22/67/530822267.db2.gz VSFMSEKGLZUAOL-UHFFFAOYSA-N 1 0 381.278 1.691 20 0 GDADRO CC[NH+](CC)CCNC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000098136821 530822696 /nfs/dbraw/zinc/82/26/96/530822696.db2.gz OGTRHDMUCJGUGX-NSHDSACASA-N 1 0 396.285 1.892 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000184000202 530823948 /nfs/dbraw/zinc/82/39/48/530823948.db2.gz IFIQNMNVLBZFHS-CYBMUJFWSA-N 1 0 398.301 1.232 20 0 GDADRO C[NH+]1CCC(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000101522597 530824403 /nfs/dbraw/zinc/82/44/03/530824403.db2.gz NRAAAXIUVDJKHE-UHFFFAOYSA-N 1 0 393.285 1.617 20 0 GDADRO COc1cc(C[NH2+][C@@]2(CO)CCOC2)cc(I)c1OC ZINC000184184791 530825446 /nfs/dbraw/zinc/82/54/46/530825446.db2.gz QNWLRHQWXICJJE-CQSZACIVSA-N 1 0 393.221 1.549 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)cnc1N(C)C ZINC000184301950 530826587 /nfs/dbraw/zinc/82/65/87/530826587.db2.gz WOGVICBHVBAYKU-ZDUSSCGKSA-N 1 0 398.349 1.666 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3F)C2)CC1 ZINC000106893858 530850882 /nfs/dbraw/zinc/85/08/82/530850882.db2.gz OKFWZSKJUNPHDJ-CQSZACIVSA-N 1 0 375.897 1.880 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000186310084 530854995 /nfs/dbraw/zinc/85/49/95/530854995.db2.gz PFHNBUBMTLETNJ-CYBMUJFWSA-N 1 0 378.270 1.838 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000108338354 530856717 /nfs/dbraw/zinc/85/67/17/530856717.db2.gz SDAGVVLKVZLWQC-LBPRGKRZSA-N 1 0 375.441 1.091 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N(C)CCC[NH+](C)C)c(C)s1 ZINC000186562436 530858308 /nfs/dbraw/zinc/85/83/08/530858308.db2.gz BKHNRIZNGYMKGV-UHFFFAOYSA-N 1 0 376.548 1.236 20 0 GDADRO C[NH+]1CCN(CCCn2c(=O)onc2-c2cccc(Br)c2)CC1 ZINC000186600577 530859023 /nfs/dbraw/zinc/85/90/23/530859023.db2.gz WLESTFURPFTDQV-UHFFFAOYSA-N 1 0 381.274 1.903 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000186786653 530862311 /nfs/dbraw/zinc/86/23/11/530862311.db2.gz MVUZTEFTPLLOMB-QMTHXVAHSA-N 1 0 379.258 1.273 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)c1cccs1 ZINC000110078118 530865655 /nfs/dbraw/zinc/86/56/55/530865655.db2.gz GCXWUAJIOTVIEE-CYBMUJFWSA-N 1 0 386.474 1.959 20 0 GDADRO COc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)nc1Br ZINC000186986962 530865887 /nfs/dbraw/zinc/86/58/87/530865887.db2.gz VTBDAXUDGCFCNV-NSHDSACASA-N 1 0 386.290 1.770 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccsc2Cl)CC1 ZINC000187371837 530871033 /nfs/dbraw/zinc/87/10/33/530871033.db2.gz AFBGQZKGOYMNLM-GFCCVEGCSA-N 1 0 384.889 1.105 20 0 GDADRO C[NH+](C)C[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000104413565 530838811 /nfs/dbraw/zinc/83/88/11/530838811.db2.gz PSZFQDYRGCLPKD-LLVKDONJSA-N 1 0 379.935 1.623 20 0 GDADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCNS(=O)(=O)CC)C1 ZINC000111492130 530876096 /nfs/dbraw/zinc/87/60/96/530876096.db2.gz LJAFOYUJPLPWLW-HNNXBMFYSA-N 1 0 376.567 1.516 20 0 GDADRO CNS(=O)(=O)CCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000187852879 530879741 /nfs/dbraw/zinc/87/97/41/530879741.db2.gz KLGZAORVJIFIOO-OAHLLOKOSA-N 1 0 388.921 1.325 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000113185391 530887231 /nfs/dbraw/zinc/88/72/31/530887231.db2.gz MSOGGWLPPLCTAU-CYBMUJFWSA-N 1 0 398.349 1.666 20 0 GDADRO CC[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC(C)(C)O ZINC000114204724 530893465 /nfs/dbraw/zinc/89/34/65/530893465.db2.gz FXLYLEVFPRSPEA-UHFFFAOYSA-N 1 0 386.290 1.597 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)[C@@H]1CO ZINC000190357834 530928970 /nfs/dbraw/zinc/92/89/70/530928970.db2.gz DDVGYAGIOILVFQ-CZUORRHYSA-N 1 0 385.302 1.989 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000118116280 530915955 /nfs/dbraw/zinc/91/59/55/530915955.db2.gz UGAYMNMGWISBSH-UHFFFAOYSA-N 1 0 376.226 1.221 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1I ZINC000118122396 530916835 /nfs/dbraw/zinc/91/68/35/530916835.db2.gz ZTCZXEZFUVGZNE-UHFFFAOYSA-N 1 0 389.237 1.686 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000118898838 530919475 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398.305 1.908 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195272659 531019530 /nfs/dbraw/zinc/01/95/30/531019530.db2.gz SFZYLDWXOKCAHM-IJEWVQPXSA-N 1 0 392.297 1.732 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000195304970 531020223 /nfs/dbraw/zinc/02/02/23/531020223.db2.gz KTJBRNZULQJSTK-DTORHVGOSA-N 1 0 395.706 1.951 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000195455988 531023205 /nfs/dbraw/zinc/02/32/05/531023205.db2.gz DALNDGLKBDCMLM-UHFFFAOYSA-N 1 0 398.301 1.540 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCC2CC[NH+](C)CC2)c(C)s1 ZINC000127871832 531035067 /nfs/dbraw/zinc/03/50/67/531035067.db2.gz SGMHNAHJRFAVNK-UHFFFAOYSA-N 1 0 388.559 1.284 20 0 GDADRO CC(C)(C(=O)N[C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000127663991 531032448 /nfs/dbraw/zinc/03/24/48/531032448.db2.gz HSMITYRXMXSMJC-NSHDSACASA-N 1 0 375.288 1.480 20 0 GDADRO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1cccc(I)c1 ZINC000228101942 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OCc1cn([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)nn1 ZINC000293069822 531398752 /nfs/dbraw/zinc/39/87/52/531398752.db2.gz VHYQDCXCBUVTAN-JKSUJKDBSA-N 1 0 381.274 1.903 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CCSC1 ZINC000267112979 531398714 /nfs/dbraw/zinc/39/87/14/531398714.db2.gz NUZBJCXVFAWYIX-MRXNPFEDSA-N 1 0 392.493 1.779 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccccc1OC(F)F ZINC000482538011 531399820 /nfs/dbraw/zinc/39/98/20/531399820.db2.gz RNCOIXZLPUDVNP-UHFFFAOYSA-N 1 0 393.437 1.827 20 0 GDADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)c(Cl)c1 ZINC000482536142 531400076 /nfs/dbraw/zinc/40/00/76/531400076.db2.gz PYFRCVSLOOMNML-UHFFFAOYSA-N 1 0 391.902 1.887 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)NCCC2CC[NH+](C)CC2)s1 ZINC000267159367 531404820 /nfs/dbraw/zinc/40/48/20/531404820.db2.gz FKWFNAWEAWYGFR-UHFFFAOYSA-N 1 0 376.500 1.554 20 0 GDADRO Cc1cc(NC(=O)c2csc(S(N)(=O)=O)c2)n(C2CC[NH+](C)CC2)n1 ZINC000531190256 531406863 /nfs/dbraw/zinc/40/68/63/531406863.db2.gz CAHKANCPPAKYQR-UHFFFAOYSA-N 1 0 383.499 1.419 20 0 GDADRO CC[N@H+](CCNC(=O)N1CCSC[C@H](C(=O)OC)C1)CCC(F)(F)F ZINC000413484316 531407673 /nfs/dbraw/zinc/40/76/73/531407673.db2.gz SOHYXQTWOWKBSX-GFCCVEGCSA-N 1 0 385.452 1.808 20 0 GDADRO Cc1nc(NCC2(N3CCOCC3)CC[NH+](C)CC2)ccc1Br ZINC000413481671 531407962 /nfs/dbraw/zinc/40/79/62/531407962.db2.gz NXXBJLSDAZAZNH-UHFFFAOYSA-N 1 0 383.334 2.361 20 0 GDADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000531282902 531408682 /nfs/dbraw/zinc/40/86/82/531408682.db2.gz BBCIQHWLQBCASV-GFCCVEGCSA-N 1 0 380.286 1.796 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000531303980 531408994 /nfs/dbraw/zinc/40/89/94/531408994.db2.gz IJKOPXLGTIYMRV-CQSZACIVSA-N 1 0 385.555 1.802 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000267268430 531416632 /nfs/dbraw/zinc/41/66/32/531416632.db2.gz PNJSICDMKJLDBA-UHFFFAOYSA-N 1 0 384.322 1.805 20 0 GDADRO CNS(=O)(=O)c1cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1C ZINC000267197724 531410454 /nfs/dbraw/zinc/41/04/54/531410454.db2.gz PTTNENDVNORNMK-MRXNPFEDSA-N 1 0 386.543 1.462 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(Br)n1 ZINC000293253161 531411632 /nfs/dbraw/zinc/41/16/32/531411632.db2.gz PHYJTVSAHCHYDS-MRXNPFEDSA-N 1 0 381.274 1.645 20 0 GDADRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(S(C)(=O)=O)cc1 ZINC000267234259 531412872 /nfs/dbraw/zinc/41/28/72/531412872.db2.gz WXXPHFKLYQQVHI-SUMWQHHRSA-N 1 0 385.555 1.888 20 0 GDADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(S(=O)(=O)CCO)cc1C ZINC000279125215 531414181 /nfs/dbraw/zinc/41/41/81/531414181.db2.gz XQMOVWKCPGIVLZ-UHFFFAOYSA-N 1 0 388.555 1.775 20 0 GDADRO COc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)sc1S(N)(=O)=O ZINC000532288689 531420641 /nfs/dbraw/zinc/42/06/41/531420641.db2.gz JYKNSKTWCQDSPV-UHFFFAOYSA-N 1 0 375.516 1.398 20 0 GDADRO C[C@@H](C[NH3+])CNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000447244059 531422229 /nfs/dbraw/zinc/42/22/29/531422229.db2.gz KDFCVNQFAICCDR-VIFPVBQESA-N 1 0 391.280 1.412 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000447248610 531422850 /nfs/dbraw/zinc/42/28/50/531422850.db2.gz UNSXEYZGWHFSQW-AWEZNQCLSA-N 1 0 394.946 1.680 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)[C@H]2COc3ccc(Br)cc32)CC[N@H+](C)C1 ZINC000413907950 531422952 /nfs/dbraw/zinc/42/29/52/531422952.db2.gz UCVWADJZNSKOSA-FZMZJTMJSA-N 1 0 397.269 1.488 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H](C)C[NH3+])c1 ZINC000447251926 531423120 /nfs/dbraw/zinc/42/31/20/531423120.db2.gz QBYLRGGSOKVOGQ-SECBINFHSA-N 1 0 379.276 1.499 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267311501 531418869 /nfs/dbraw/zinc/41/88/69/531418869.db2.gz NQULQFINBLWFOQ-AWEZNQCLSA-N 1 0 377.557 1.166 20 0 GDADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000447255332 531424012 /nfs/dbraw/zinc/42/40/12/531424012.db2.gz GNJZASGHYUPJOQ-VIFPVBQESA-N 1 0 391.280 1.555 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000293523258 531426186 /nfs/dbraw/zinc/42/61/86/531426186.db2.gz UMAPHORYDAOZOV-QLFBSQMISA-N 1 0 383.539 1.420 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000293523261 531426235 /nfs/dbraw/zinc/42/62/35/531426235.db2.gz UMAPHORYDAOZOV-RBSFLKMASA-N 1 0 383.539 1.420 20 0 GDADRO O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000485193779 531430615 /nfs/dbraw/zinc/43/06/15/531430615.db2.gz PCRYXEVOGVOUJF-NSHDSACASA-N 1 0 378.885 1.919 20 0 GDADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cnn(C)c1I ZINC000293572037 531428813 /nfs/dbraw/zinc/42/88/13/531428813.db2.gz HAVMZBHJCGFYAC-GHMZBOCLSA-N 1 0 388.253 1.724 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000447758458 531433685 /nfs/dbraw/zinc/43/36/85/531433685.db2.gz LWNFHGPVPQMPOP-GFCCVEGCSA-N 1 0 375.457 1.389 20 0 GDADRO CS[C@@H]1CN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)C[C@@H]1[NH+](C)C ZINC000534092105 531433920 /nfs/dbraw/zinc/43/39/20/531433920.db2.gz KDQUTENVFBPMAN-LSDHHAIUSA-N 1 0 384.933 1.643 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc1Br ZINC000414336283 531441307 /nfs/dbraw/zinc/44/13/07/531441307.db2.gz PEXRZPZBKIRJBZ-AWEZNQCLSA-N 1 0 399.310 1.790 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](CCOC)C2)s1 ZINC000279639271 531446191 /nfs/dbraw/zinc/44/61/91/531446191.db2.gz WLKZHNDMUCVOMU-LBPRGKRZSA-N 1 0 375.516 1.062 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000486215250 531447990 /nfs/dbraw/zinc/44/79/90/531447990.db2.gz MBVPZJOHNPWQRE-INIZCTEOSA-N 1 0 384.274 1.187 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000486215251 531448292 /nfs/dbraw/zinc/44/82/92/531448292.db2.gz MBVPZJOHNPWQRE-MRXNPFEDSA-N 1 0 384.274 1.187 20 0 GDADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000536533222 531451362 /nfs/dbraw/zinc/45/13/62/531451362.db2.gz ZWZBIXPOXRJLGM-HNNXBMFYSA-N 1 0 395.301 1.236 20 0 GDADRO Cc1nn(C)c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1Br ZINC000448340424 531451502 /nfs/dbraw/zinc/45/15/02/531451502.db2.gz WSCSPMNVVFPJOK-UHFFFAOYSA-N 1 0 384.322 1.231 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000361968932 531453439 /nfs/dbraw/zinc/45/34/39/531453439.db2.gz SGLQHRNAIFCSJI-MRXNPFEDSA-N 1 0 384.249 1.435 20 0 GDADRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)sc1S(N)(=O)=O ZINC000448431952 531454055 /nfs/dbraw/zinc/45/40/55/531454055.db2.gz JWNAGAPOBGHUEJ-GFCCVEGCSA-N 1 0 389.543 1.502 20 0 GDADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000362067150 531455757 /nfs/dbraw/zinc/45/57/57/531455757.db2.gz PBYUQLRMPYCEJB-PMPSAXMXSA-N 1 0 382.302 1.507 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000362079804 531456163 /nfs/dbraw/zinc/45/61/63/531456163.db2.gz QCJQUYCWLNDOGH-NXEZZACHSA-N 1 0 375.853 1.483 20 0 GDADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cnn(C)c2I)CC1 ZINC000293987880 531456231 /nfs/dbraw/zinc/45/62/31/531456231.db2.gz RFXDEABZMLSDOX-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO CN(CC(=O)NCC1=CC[N@H+](C)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000537251781 531457593 /nfs/dbraw/zinc/45/75/93/531457593.db2.gz VZHPTODVFIPTJN-UHFFFAOYSA-N 1 0 377.919 1.400 20 0 GDADRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000448181128 531449521 /nfs/dbraw/zinc/44/95/21/531449521.db2.gz UJVYQGXVCLTDMF-IAQYHMDHSA-N 1 0 393.506 1.383 20 0 GDADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000293898447 531450514 /nfs/dbraw/zinc/45/05/14/531450514.db2.gz WIEWACDOLPLASF-VQCLRJIVSA-N 1 0 388.555 1.849 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)[C@H]2C1 ZINC000540903946 531473416 /nfs/dbraw/zinc/47/34/16/531473416.db2.gz PCYBPMMZEHHHRN-NHYWBVRUSA-N 1 0 383.901 1.939 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1Br ZINC000415306105 531473438 /nfs/dbraw/zinc/47/34/38/531473438.db2.gz HSKRBKRJMSCSIH-UHFFFAOYSA-N 1 0 386.246 1.227 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415304094 531473821 /nfs/dbraw/zinc/47/38/21/531473821.db2.gz PRGMRRHDWHAOGH-UHFFFAOYSA-N 1 0 384.274 1.984 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000487527342 531473849 /nfs/dbraw/zinc/47/38/49/531473849.db2.gz PZODSOCXPPFPOD-YPMHNXCESA-N 1 0 383.290 1.817 20 0 GDADRO O=C(Nc1ccc(Br)cc1OC(F)(F)F)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415324387 531474581 /nfs/dbraw/zinc/47/45/81/531474581.db2.gz CCQZAYWBGCIJTQ-MRVPVSSYSA-N 1 0 396.163 1.764 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415323928 531474799 /nfs/dbraw/zinc/47/47/99/531474799.db2.gz DLZMVAVUWHCJKI-LLVKDONJSA-N 1 0 384.274 1.902 20 0 GDADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000449755692 531475932 /nfs/dbraw/zinc/47/59/32/531475932.db2.gz UJQDTNUGMOWRHI-LLVKDONJSA-N 1 0 393.278 1.862 20 0 GDADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCCN3CC[NH2+]CC3)cc2s1 ZINC000415337190 531476411 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CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000267897594 531460127 /nfs/dbraw/zinc/46/01/27/531460127.db2.gz VAYLSKCVBQNDJE-LBPRGKRZSA-N 1 0 392.905 1.746 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)NCC[N@H+]1CC=CCC1 ZINC000279918110 531460225 /nfs/dbraw/zinc/46/02/25/531460225.db2.gz FZEJQBCHJYIYFH-UHFFFAOYSA-N 1 0 380.286 1.947 20 0 GDADRO C[C@H](CNC(=O)CN1C(=O)COc2cc(Br)ccc21)C[NH+](C)C ZINC000294069136 531460359 /nfs/dbraw/zinc/46/03/59/531460359.db2.gz HKCXCFAXVDZCIU-LLVKDONJSA-N 1 0 384.274 1.488 20 0 GDADRO C[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)CN1CCOCC1 ZINC000294059606 531460525 /nfs/dbraw/zinc/46/05/25/531460525.db2.gz KCZWJMCVKLSYQT-CXAGYDPISA-N 1 0 384.318 1.708 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1OC ZINC000279912407 531460656 /nfs/dbraw/zinc/46/06/56/531460656.db2.gz VTVYUZHLWHYLPM-UHFFFAOYSA-N 1 0 392.905 1.482 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000414679606 531461798 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JNPBAFIARRCZQX-UHFFFAOYSA-N 1 0 387.933 1.951 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)CS(C)(=O)=O)cc1Br ZINC000449604716 531473148 /nfs/dbraw/zinc/47/31/48/531473148.db2.gz YDVCHOYPJVTNJH-WCQYABFASA-N 1 0 394.331 1.631 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@@H]1CCC[NH2+]C1 ZINC000415352602 531478474 /nfs/dbraw/zinc/47/84/74/531478474.db2.gz PRAJBASDGZYFTL-ZYHUDNBSSA-N 1 0 398.276 1.982 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Br)cn1 ZINC000280173405 531478520 /nfs/dbraw/zinc/47/85/20/531478520.db2.gz ZHZBHOJNMFYPHJ-VXGBXAGGSA-N 1 0 383.290 1.431 20 0 GDADRO CC(C)[C@@H]1CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC[N@@H+]1C ZINC000487962653 531478943 /nfs/dbraw/zinc/47/89/43/531478943.db2.gz ZELCRGNLDDWNJJ-INIZCTEOSA-N 1 0 387.933 1.954 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415363644 531479079 /nfs/dbraw/zinc/47/90/79/531479079.db2.gz DZPXSJZBFBWUQY-UHFFFAOYSA-N 1 0 380.246 1.299 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415369696 531479667 /nfs/dbraw/zinc/47/96/67/531479667.db2.gz CICIOIURCWGVSJ-VIFPVBQESA-N 1 0 386.246 1.418 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2ccccc2I)CC1 ZINC000415372162 531479787 /nfs/dbraw/zinc/47/97/87/531479787.db2.gz QZEBGZFQCBTLJG-UHFFFAOYSA-N 1 0 387.221 1.616 20 0 GDADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415376986 531480385 /nfs/dbraw/zinc/48/03/85/531480385.db2.gz DJKIGIVINQPRKI-UHFFFAOYSA-N 1 0 380.246 1.427 20 0 GDADRO CO[C@@H]1C[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@H]1OC ZINC000488040449 531481666 /nfs/dbraw/zinc/48/16/66/531481666.db2.gz DXOMHQLNFIUKOC-NWANDNLSSA-N 1 0 378.238 1.674 20 0 GDADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000294503191 531481753 /nfs/dbraw/zinc/48/17/53/531481753.db2.gz DAMGZMYNIOVUGO-QMTHXVAHSA-N 1 0 381.274 1.853 20 0 GDADRO Cc1cc(F)c(NC(=O)N(CC[NH3+])CCO)c(I)c1 ZINC000415390530 531482371 /nfs/dbraw/zinc/48/23/71/531482371.db2.gz KMHHXIBCCLXVIW-UHFFFAOYSA-N 1 0 381.189 1.524 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(I)ccc1C ZINC000415403669 531483486 /nfs/dbraw/zinc/48/34/86/531483486.db2.gz ACUZKGBPJJOALB-VIFPVBQESA-N 1 0 389.237 1.510 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415405630 531483578 /nfs/dbraw/zinc/48/35/78/531483578.db2.gz CUINCYNTJQHEIK-VIFPVBQESA-N 1 0 380.246 1.303 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000415416009 531484166 /nfs/dbraw/zinc/48/41/66/531484166.db2.gz JKJNKWIPUDNSIX-JTQLQIEISA-N 1 0 384.267 2.232 20 0 GDADRO CC[NH+]1CCC(NC(=O)CN(CCO)Cc2cccc(Br)c2)CC1 ZINC000488253036 531484697 /nfs/dbraw/zinc/48/46/97/531484697.db2.gz OXYFOEBAAGVGTB-UHFFFAOYSA-N 1 0 398.345 1.844 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000415430561 531484725 /nfs/dbraw/zinc/48/47/25/531484725.db2.gz FMHOURTZFKYTCH-GWCFXTLKSA-N 1 0 384.274 1.982 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)CC[NH2+]1 ZINC000415424482 531485196 /nfs/dbraw/zinc/48/51/96/531485196.db2.gz BEADYHAJGJGCSY-JTQLQIEISA-N 1 0 382.251 1.938 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc(F)c1I)C1CC1 ZINC000415441933 531485924 /nfs/dbraw/zinc/48/59/24/531485924.db2.gz GEORWPVNRBXCIV-JTQLQIEISA-N 1 0 391.184 1.222 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000415449390 531487010 /nfs/dbraw/zinc/48/70/10/531487010.db2.gz MCBPGDYVZQHOIX-GFCCVEGCSA-N 1 0 387.221 1.392 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415453145 531488190 /nfs/dbraw/zinc/48/81/90/531488190.db2.gz YWOPDEQMIRRLBS-LLVKDONJSA-N 1 0 375.878 1.172 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415492184 531490625 /nfs/dbraw/zinc/49/06/25/531490625.db2.gz LDFFRUYGMJERRM-MRVPVSSYSA-N 1 0 376.201 1.876 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1I ZINC000415500703 531490867 /nfs/dbraw/zinc/49/08/67/531490867.db2.gz QOXNSBLOEIYDTC-SNVBAGLBSA-N 1 0 389.237 1.863 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415542226 531492389 /nfs/dbraw/zinc/49/23/89/531492389.db2.gz UKCSWXJDYBDRKO-LLVKDONJSA-N 1 0 387.221 1.392 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415544561 531492428 /nfs/dbraw/zinc/49/24/28/531492428.db2.gz UHRATPPKWIDCSA-HTQZYQBOSA-N 1 0 376.201 1.862 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415540049 531492969 /nfs/dbraw/zinc/49/29/69/531492969.db2.gz XCGNZOJKTGOJNU-UHFFFAOYSA-N 1 0 396.163 1.622 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000415358147 531478250 /nfs/dbraw/zinc/47/82/50/531478250.db2.gz IDXGEKYCYJWYIA-SNVBAGLBSA-N 1 0 389.193 1.561 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000415678643 531512598 /nfs/dbraw/zinc/51/25/98/531512598.db2.gz OKRNMEQPEIYKPX-UHFFFAOYSA-N 1 0 398.305 1.944 20 0 GDADRO CC(C)(C[NH+]1CCOCC1)C(=O)NCCCCn1cc(Br)cn1 ZINC000635874891 531519579 /nfs/dbraw/zinc/51/95/79/531519579.db2.gz NSHXJIMAXTTZLB-UHFFFAOYSA-N 1 0 387.322 1.900 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415690744 531515580 /nfs/dbraw/zinc/51/55/80/531515580.db2.gz XTCMDRSEOSFSTO-CPCISQLKSA-N 1 0 376.201 1.923 20 0 GDADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000415700890 531515841 /nfs/dbraw/zinc/51/58/41/531515841.db2.gz AKIHNYHVVHFCEW-CYBMUJFWSA-N 1 0 382.917 1.507 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cc(N(C)C)ccc1Br)C[NH+](C)C ZINC000490065158 531518116 /nfs/dbraw/zinc/51/81/16/531518116.db2.gz RKHHZLPNTKBWKA-NSHDSACASA-N 1 0 378.336 1.991 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)Nc1c(F)cc(C)cc1I ZINC000415714952 531518408 /nfs/dbraw/zinc/51/84/08/531518408.db2.gz APIONIRXEQDEMV-QMMMGPOBSA-N 1 0 393.200 1.401 20 0 GDADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC12CCSCC2)[C@H]1CCS(=O)(=O)C1 ZINC000450378461 531494292 /nfs/dbraw/zinc/49/42/92/531494292.db2.gz NHQFMJZTSMYKFI-HOTGVXAUSA-N 1 0 388.599 1.877 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415557296 531494390 /nfs/dbraw/zinc/49/43/90/531494390.db2.gz WRSHCTSZGVLPEV-UHFFFAOYSA-N 1 0 384.267 1.855 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415564033 531495355 /nfs/dbraw/zinc/49/53/55/531495355.db2.gz ZCIKNCWTTRVDDR-SECBINFHSA-N 1 0 375.210 1.392 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415561634 531495388 /nfs/dbraw/zinc/49/53/88/531495388.db2.gz GIPMGLWGOVUPKB-JGVFFNPUSA-N 1 0 376.201 1.862 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NCCCC[NH3+] ZINC000415564451 531495700 /nfs/dbraw/zinc/49/57/00/531495700.db2.gz KVHSKXMMUJDMRW-UHFFFAOYSA-N 1 0 390.209 1.168 20 0 GDADRO O=C([C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000635557129 531497731 /nfs/dbraw/zinc/49/77/31/531497731.db2.gz ZVTUYTLHBZCKJP-KBPBESRZSA-N 1 0 382.448 1.544 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2C[NH2+]CCC2(F)F)s1 ZINC000581547542 531497943 /nfs/dbraw/zinc/49/79/43/531497943.db2.gz IISNHDCFZFGYOL-NEPJUHHUSA-N 1 0 393.481 1.323 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1coc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000635658402 531501130 /nfs/dbraw/zinc/50/11/30/531501130.db2.gz KMFWCCSIFWXNQU-SNVBAGLBSA-N 1 0 383.392 1.274 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415612193 531503349 /nfs/dbraw/zinc/50/33/49/531503349.db2.gz KGHCZMIOAQURDY-BXKDBHETSA-N 1 0 387.221 1.344 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(I)c1 ZINC000415617066 531505139 /nfs/dbraw/zinc/50/51/39/531505139.db2.gz QFNVMNVYQODDRB-JOYOIKCWSA-N 1 0 387.221 1.344 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000658409665 531505598 /nfs/dbraw/zinc/50/55/98/531505598.db2.gz FMTUIIXASODGGB-AWEZNQCLSA-N 1 0 389.543 1.056 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)C2)CC1 ZINC000635735048 531506921 /nfs/dbraw/zinc/50/69/21/531506921.db2.gz GWECCITXSZUUOO-RDBSUJKOSA-N 1 0 382.448 1.400 20 0 GDADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@H]1C[NH2+]CCO1 ZINC000557139737 531508516 /nfs/dbraw/zinc/50/85/16/531508516.db2.gz PEHOFJUUOCODBS-LLVKDONJSA-N 1 0 386.246 1.008 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415657698 531508776 /nfs/dbraw/zinc/50/87/76/531508776.db2.gz QGJBEYRXVVGUBW-RDDDGLTNSA-N 1 0 376.201 1.780 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC ZINC000415651950 531508882 /nfs/dbraw/zinc/50/88/82/531508882.db2.gz CHVOEOHXSVRJQD-MRVPVSSYSA-N 1 0 376.240 1.833 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(I)cc2)CC[NH2+]1 ZINC000415653626 531509268 /nfs/dbraw/zinc/50/92/68/531509268.db2.gz FYIYXLKXCSVBMV-SKDRFNHKSA-N 1 0 387.221 1.486 20 0 GDADRO CN(C(=O)C(=O)Nc1ccc(Cl)cc1I)C1C[NH2+]C1 ZINC000415731012 531522591 /nfs/dbraw/zinc/52/25/91/531522591.db2.gz DWJVUKOKEKWJAB-UHFFFAOYSA-N 1 0 393.612 1.313 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000611003195 531523014 /nfs/dbraw/zinc/52/30/14/531523014.db2.gz LTLSNMGSQYZPNH-HWOWSKLDSA-N 1 0 375.535 1.216 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415754748 531525080 /nfs/dbraw/zinc/52/50/80/531525080.db2.gz ZJDJYUJLAIPDJJ-CABZTGNLSA-N 1 0 377.242 1.884 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000415761115 531525521 /nfs/dbraw/zinc/52/55/21/531525521.db2.gz LDJRNJFSWPBASX-NEPJUHHUSA-N 1 0 396.285 1.854 20 0 GDADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCc2ccc(Br)s2)CC1 ZINC000582008881 531526953 /nfs/dbraw/zinc/52/69/53/531526953.db2.gz GWOORZBLAZPCHL-UHFFFAOYSA-N 1 0 388.331 1.757 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000557836884 531527621 /nfs/dbraw/zinc/52/76/21/531527621.db2.gz CYUQPGGNEBZANO-HOCLYGCPSA-N 1 0 391.603 1.380 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCCO[C@@H]1CC1(F)F ZINC000658750808 531528966 /nfs/dbraw/zinc/52/89/66/531528966.db2.gz GIQOMOPSONHLLX-CYBMUJFWSA-N 1 0 375.441 1.179 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(OC)c2)C1 ZINC000658778490 531529937 /nfs/dbraw/zinc/52/99/37/531529937.db2.gz KBYWNTBSSSAHAM-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)c1Br ZINC000415792696 531531192 /nfs/dbraw/zinc/53/11/92/531531192.db2.gz UHBJOPDXSUNQFB-MRVPVSSYSA-N 1 0 382.180 1.934 20 0 GDADRO OCCCN1CCC[C@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000295172979 531531549 /nfs/dbraw/zinc/53/15/49/531531549.db2.gz UNJSHDWBCVBNSM-JTQLQIEISA-N 1 0 381.283 1.684 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000415792293 531531561 /nfs/dbraw/zinc/53/15/61/531531561.db2.gz SYXJOWBFDRHKDZ-VIFPVBQESA-N 1 0 386.246 1.336 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000415725492 531520266 /nfs/dbraw/zinc/52/02/66/531520266.db2.gz OFPUEYYFAKJCPL-KRWDZBQOSA-N 1 0 396.285 1.998 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000659015523 531536694 /nfs/dbraw/zinc/53/66/94/531536694.db2.gz AKJAJHLVTXQPQG-NSHDSACASA-N 1 0 385.310 1.325 20 0 GDADRO Cc1csc([C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C(F)(F)F)n1 ZINC000659015040 531536792 /nfs/dbraw/zinc/53/67/92/531536792.db2.gz FPWRJNHTNOGQGX-JTQLQIEISA-N 1 0 376.364 1.509 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000659011844 531536977 /nfs/dbraw/zinc/53/69/77/531536977.db2.gz BZXPJNKQZKUTJX-UHFFFAOYSA-N 1 0 396.289 1.554 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000659016574 531537119 /nfs/dbraw/zinc/53/71/19/531537119.db2.gz HDLWPWXUPXKSSW-UHFFFAOYSA-N 1 0 396.289 1.636 20 0 GDADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415822902 531537532 /nfs/dbraw/zinc/53/75/32/531537532.db2.gz RCZUXVJGRSFMAS-NXEZZACHSA-N 1 0 376.404 1.949 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCc2ccc(Br)cc21)C1CCCC1 ZINC000415828313 531537562 /nfs/dbraw/zinc/53/75/62/531537562.db2.gz BIRKSPLDDOIQBY-CQSZACIVSA-N 1 0 380.286 1.972 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659076523 531538691 /nfs/dbraw/zinc/53/86/91/531538691.db2.gz AKVLXMAMGKCQLA-MRVPVSSYSA-N 1 0 376.201 1.876 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1F ZINC000415831396 531539124 /nfs/dbraw/zinc/53/91/24/531539124.db2.gz JNEGNPJDIKYGMB-JTQLQIEISA-N 1 0 388.237 1.330 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415830181 531539363 /nfs/dbraw/zinc/53/93/63/531539363.db2.gz HWTSZPKVRZUCAF-MNOVXSKESA-N 1 0 384.274 1.948 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000659093194 531540399 /nfs/dbraw/zinc/54/03/99/531540399.db2.gz GIUSAKWYZBQZCH-UHFFFAOYSA-N 1 0 395.261 1.164 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659083403 531540500 /nfs/dbraw/zinc/54/05/00/531540500.db2.gz XWUDAAIQJLBWOR-YUMQZZPRSA-N 1 0 376.201 1.862 20 0 GDADRO COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415836362 531540476 /nfs/dbraw/zinc/54/04/76/531540476.db2.gz MVBMJJHJTUXMSX-JTQLQIEISA-N 1 0 381.738 1.461 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)c2cc(Br)ccc21 ZINC000659104626 531541906 /nfs/dbraw/zinc/54/19/06/531541906.db2.gz NUTKFOLHROUROX-UHFFFAOYSA-N 1 0 392.297 1.942 20 0 GDADRO COc1cc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc(OC)c1Br ZINC000659103890 531542442 /nfs/dbraw/zinc/54/24/42/531542442.db2.gz FBDOHGJSZIQWFH-UHFFFAOYSA-N 1 0 398.257 1.273 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC[C@H]1F ZINC000659109423 531542737 /nfs/dbraw/zinc/54/27/37/531542737.db2.gz DYLHFPJWYDZZNE-VXGBXAGGSA-N 1 0 395.232 1.834 20 0 GDADRO CSc1nsc(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000268592263 531543046 /nfs/dbraw/zinc/54/30/46/531543046.db2.gz MJJCKWDDFFZHQI-UHFFFAOYSA-N 1 0 379.515 1.729 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415859448 531544492 /nfs/dbraw/zinc/54/44/92/531544492.db2.gz GOANINBANILHTR-VIFPVBQESA-N 1 0 376.638 1.146 20 0 GDADRO Cn1ccnc1[C@H]1N(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1(C)C ZINC000295228025 531544612 /nfs/dbraw/zinc/54/46/12/531544612.db2.gz ICXYZLSCXBFJMH-CQSZACIVSA-N 1 0 383.495 1.595 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CCCO1 ZINC000415856912 531544709 /nfs/dbraw/zinc/54/47/09/531544709.db2.gz GJTQWDGKUFELHV-JTQLQIEISA-N 1 0 390.665 1.617 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCO1 ZINC000415859284 531544768 /nfs/dbraw/zinc/54/47/68/531544768.db2.gz LIFBMDSFHGJAEW-SNVBAGLBSA-N 1 0 379.766 1.874 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CCCO1 ZINC000415858577 531545199 /nfs/dbraw/zinc/54/51/99/531545199.db2.gz KFAHQUFBBYSTSS-SECBINFHSA-N 1 0 390.665 1.617 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Cl ZINC000415867984 531546024 /nfs/dbraw/zinc/54/60/24/531546024.db2.gz XPWOOESMCZBXPI-NSHDSACASA-N 1 0 390.267 1.907 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000491074255 531547039 /nfs/dbraw/zinc/54/70/39/531547039.db2.gz ICBAYIFWJHSEDH-OAHLLOKOSA-N 1 0 385.555 1.169 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1Br ZINC000415873144 531547790 /nfs/dbraw/zinc/54/77/90/531547790.db2.gz UHKDXXPIYPKZBR-WDEREUQCSA-N 1 0 382.258 1.464 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000415876451 531548083 /nfs/dbraw/zinc/54/80/83/531548083.db2.gz CCVJFXDSELHERZ-UHFFFAOYSA-N 1 0 379.766 1.610 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000659491815 531548052 /nfs/dbraw/zinc/54/80/52/531548052.db2.gz ZLQQULVRJMDSKF-UHFFFAOYSA-N 1 0 376.910 1.387 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415873956 531548100 /nfs/dbraw/zinc/54/81/00/531548100.db2.gz VWLZPXGASAGDMX-GMXVVIOVSA-N 1 0 396.285 1.901 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cc(Cl)ccc1Br ZINC000415870942 531548351 /nfs/dbraw/zinc/54/83/51/531548351.db2.gz TWVOTUVAYCZOFG-SECBINFHSA-N 1 0 376.638 1.146 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000582596088 531549296 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O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415799309 531533064 /nfs/dbraw/zinc/53/30/64/531533064.db2.gz XQNBIXYRMVFVDA-WCQYABFASA-N 1 0 393.285 1.870 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1Br ZINC000611380527 531534306 /nfs/dbraw/zinc/53/43/06/531534306.db2.gz QTWFKKSVNFIJKJ-LLVKDONJSA-N 1 0 398.257 1.385 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000415804032 531534549 /nfs/dbraw/zinc/53/45/49/531534549.db2.gz KWVIQWICLMDPPE-CABCVRRESA-N 1 0 396.285 1.742 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415805623 531534785 /nfs/dbraw/zinc/53/47/85/531534785.db2.gz KTPYHHPQVRCOKH-IUCAKERBSA-N 1 0 375.210 1.390 20 0 GDADRO O=C(Nc1cccc2cncc(Br)c21)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415812856 531535675 /nfs/dbraw/zinc/53/56/75/531535675.db2.gz DXCBLEAEZSNNIM-YGRLFVJLSA-N 1 0 389.253 1.756 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415814367 531535780 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O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662783647 531696195 /nfs/dbraw/zinc/69/61/95/531696195.db2.gz FZVNENWFRGCSFD-ZNMIVQPWSA-N 1 0 384.274 1.416 20 0 GDADRO COC[C@@]1(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCC[NH2+]1 ZINC000662777831 531696366 /nfs/dbraw/zinc/69/63/66/531696366.db2.gz DJRHRQBKIHGAOQ-VYDXJSESSA-N 1 0 398.301 1.807 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000269606131 531696848 /nfs/dbraw/zinc/69/68/48/531696848.db2.gz JAXOCPJCQDLPOF-ZDUSSCGKSA-N 1 0 393.303 1.048 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000662925245 531699348 /nfs/dbraw/zinc/69/93/48/531699348.db2.gz KWSSGFUGITWVSQ-CQSZACIVSA-N 1 0 391.331 1.854 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000561285646 531689591 /nfs/dbraw/zinc/68/95/91/531689591.db2.gz QUJJDAYBOSBOHZ-CVEARBPZSA-N 1 0 386.539 1.694 20 0 GDADRO Cc1c(Br)cncc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000662576413 531689603 /nfs/dbraw/zinc/68/96/03/531689603.db2.gz XARTXEQDHCSGEI-GFCCVEGCSA-N 1 0 379.262 1.680 20 0 GDADRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000639363405 531690376 /nfs/dbraw/zinc/69/03/76/531690376.db2.gz FMSZAUNVDVASPY-CQSZACIVSA-N 1 0 381.523 1.768 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c(Br)c1 ZINC000503272939 531691777 /nfs/dbraw/zinc/69/17/77/531691777.db2.gz DJJYKKHARUTVGP-NSHDSACASA-N 1 0 384.274 1.806 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000662943142 531701231 /nfs/dbraw/zinc/70/12/31/531701231.db2.gz OVRWOLZKZRDCJW-UHFFFAOYSA-N 1 0 376.682 1.868 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000504252002 531702023 /nfs/dbraw/zinc/70/20/23/531702023.db2.gz CNSAXJUSVMZTCO-FMKPAKJESA-N 1 0 385.555 1.282 20 0 GDADRO CCc1n[nH]c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1Br ZINC000366049505 531703282 /nfs/dbraw/zinc/70/32/82/531703282.db2.gz AFHYVILAHQRVMH-LBPRGKRZSA-N 1 0 384.322 1.587 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000662968322 531703744 /nfs/dbraw/zinc/70/37/44/531703744.db2.gz USCYBELGTKATTA-QMMMGPOBSA-N 1 0 387.811 1.361 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CCCO1 ZINC000662969577 531703866 /nfs/dbraw/zinc/70/38/66/531703866.db2.gz TWHRSMWPDJVTAQ-LBPRGKRZSA-N 1 0 386.279 1.454 20 0 GDADRO Nc1nnc(C2CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)o1 ZINC000639727526 531703939 /nfs/dbraw/zinc/70/39/39/531703939.db2.gz VOKOUGJPBVCCLJ-CYBMUJFWSA-N 1 0 397.273 2.034 20 0 GDADRO Cc1nn(C)c(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000640162745 531723332 /nfs/dbraw/zinc/72/33/32/531723332.db2.gz ULZNWMPYAYTNEY-LBPRGKRZSA-N 1 0 388.310 1.969 20 0 GDADRO O=C(CN1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1cccc(I)c1 ZINC000591447861 531724099 /nfs/dbraw/zinc/72/40/99/531724099.db2.gz AZWIMDGLYYRTNK-FZMZJTMJSA-N 1 0 385.249 1.914 20 0 GDADRO Cc1nn(C)c(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000640162744 531724198 /nfs/dbraw/zinc/72/41/98/531724198.db2.gz ULZNWMPYAYTNEY-GFCCVEGCSA-N 1 0 388.310 1.969 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000620220321 531725933 /nfs/dbraw/zinc/72/59/33/531725933.db2.gz HYFQOZAGMQWOLA-LBPRGKRZSA-N 1 0 394.269 1.646 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000664779346 531727948 /nfs/dbraw/zinc/72/79/48/531727948.db2.gz RECFIMWJJISRIN-UHFFFAOYSA-N 1 0 376.835 1.780 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000561995303 531730527 /nfs/dbraw/zinc/73/05/27/531730527.db2.gz DWNXXNQVOKVBTQ-NXEZZACHSA-N 1 0 378.420 1.420 20 0 GDADRO COc1cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)ncc1Br ZINC000639962507 531712758 /nfs/dbraw/zinc/71/27/58/531712758.db2.gz KASSDDPXAFRTNB-LLVKDONJSA-N 1 0 387.278 1.821 20 0 GDADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663488446 531713275 /nfs/dbraw/zinc/71/32/75/531713275.db2.gz UXBFERJJQTWBEW-GFCCVEGCSA-N 1 0 384.263 1.547 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663612315 531716368 /nfs/dbraw/zinc/71/63/68/531716368.db2.gz WBITUAAQYOOFSG-OAHLLOKOSA-N 1 0 388.237 1.794 20 0 GDADRO O[C@H](COc1ccc(Cl)cc1Br)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000619725525 531716607 /nfs/dbraw/zinc/71/66/07/531716607.db2.gz VVEZRQGLECTVQF-WZRBSPASSA-N 1 0 375.694 1.993 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)NCCCc2ccc(Br)cc2F)C[C@@H]1O ZINC000664149635 531719763 /nfs/dbraw/zinc/71/97/63/531719763.db2.gz SKCUQJYQGWHMMN-GJZGRUSLSA-N 1 0 388.281 1.837 20 0 GDADRO CC[C@@H]1CN(C(=O)NCc2nn(C)cc2I)CC[C@H]1[NH3+] ZINC000591358362 531720124 /nfs/dbraw/zinc/72/01/24/531720124.db2.gz LWWUEFQMFMCTJD-MWLCHTKSSA-N 1 0 391.257 1.294 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000366303102 531734651 /nfs/dbraw/zinc/73/46/51/531734651.db2.gz IANZRQVYCXUNLU-MFKMUULPSA-N 1 0 375.288 1.830 20 0 GDADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000620913744 531737188 /nfs/dbraw/zinc/73/71/88/531737188.db2.gz FKSMTKWWTOJZGT-ZDUSSCGKSA-N 1 0 387.527 1.111 20 0 GDADRO Cc1ccc(I)c(C(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000296915548 531738296 /nfs/dbraw/zinc/73/82/96/531738296.db2.gz LJZNDFGBTAVVGI-UHFFFAOYSA-N 1 0 388.249 1.786 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000269758112 531741595 /nfs/dbraw/zinc/74/15/95/531741595.db2.gz JBKPTXPJXZJCAS-UHFFFAOYSA-N 1 0 377.304 1.325 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)s1 ZINC000416864831 531743689 /nfs/dbraw/zinc/74/36/89/531743689.db2.gz CQAHFZZKIMCDTC-AWEZNQCLSA-N 1 0 380.495 1.082 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2C[NH3+])s1 ZINC000416908599 531744204 /nfs/dbraw/zinc/74/42/04/531744204.db2.gz DQRCETTWSBKWSG-CYBMUJFWSA-N 1 0 388.559 1.801 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000416945841 531747541 /nfs/dbraw/zinc/74/75/41/531747541.db2.gz HVFKLQNQNQXCQR-LBPRGKRZSA-N 1 0 388.921 1.387 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000416948270 531748124 /nfs/dbraw/zinc/74/81/24/531748124.db2.gz JQMQZGBEWSDGPM-SWLSCSKDSA-N 1 0 388.921 1.530 20 0 GDADRO O=C(c1cc(Br)c[nH]c1=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000621532644 531750070 /nfs/dbraw/zinc/75/00/70/531750070.db2.gz INDJCSWRTJBLPD-ZDUSSCGKSA-N 1 0 384.274 1.877 20 0 GDADRO C[C@H](C(=O)NCc1cccs1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000282420263 531752304 /nfs/dbraw/zinc/75/23/04/531752304.db2.gz CQUGHJJZDOSMER-CQSZACIVSA-N 1 0 385.555 1.643 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)N[C@H](c2nccs2)C(F)(F)F)CC[N@H+](C)C1 ZINC000417158561 531755152 /nfs/dbraw/zinc/75/51/52/531755152.db2.gz FPTWCDGQSAMVCJ-NXEZZACHSA-N 1 0 380.392 1.493 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000452052631 531759705 /nfs/dbraw/zinc/75/97/05/531759705.db2.gz BOMDIPDAJZDGAO-UHFFFAOYSA-N 1 0 379.448 1.798 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417225257 531760027 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[NH3+]CC[C@@H](NC(=O)NCc1cn2cc(Br)ccc2n1)C(F)F ZINC000417224659 531761085 /nfs/dbraw/zinc/76/10/85/531761085.db2.gz RUMFNFQHPLZCLF-SNVBAGLBSA-N 1 0 376.205 1.879 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621847729 531761307 /nfs/dbraw/zinc/76/13/07/531761307.db2.gz JNTGJDGPZOOZEY-SUMWQHHRSA-N 1 0 380.286 1.714 20 0 GDADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000562524325 531761471 /nfs/dbraw/zinc/76/14/71/531761471.db2.gz OEAZEYHBSUSPRL-JQWIXIFHSA-N 1 0 375.238 1.850 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000452098055 531762192 /nfs/dbraw/zinc/76/21/92/531762192.db2.gz SWZWLANGWMMELM-CQSZACIVSA-N 1 0 389.543 1.040 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417234488 531763369 /nfs/dbraw/zinc/76/33/69/531763369.db2.gz VNYJGGNIEINOHG-AWEZNQCLSA-N 1 0 385.281 1.777 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC[C@H]1CC1(F)F ZINC000622016323 531764511 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COC[C@H]([NH3+])Cc1cn(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nn1 ZINC000640838884 531767450 /nfs/dbraw/zinc/76/74/50/531767450.db2.gz NMMXYPYBYZIDRM-CMPLNLGQSA-N 1 0 386.283 1.979 20 0 GDADRO C[C@@H]1C[N@H+](CCO)CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000452121187 531767909 /nfs/dbraw/zinc/76/79/09/531767909.db2.gz GJMIPOXFMGAEPL-IUODEOHRSA-N 1 0 391.281 1.326 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417416632 531768555 /nfs/dbraw/zinc/76/85/55/531768555.db2.gz FTXRZZWVYQEEFH-INIZCTEOSA-N 1 0 383.290 1.559 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417416635 531768699 /nfs/dbraw/zinc/76/86/99/531768699.db2.gz FTXRZZWVYQEEFH-MRXNPFEDSA-N 1 0 383.290 1.559 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN(Cc3cccs3)CC2)[C@@H]1SC ZINC000592169787 531768739 /nfs/dbraw/zinc/76/87/39/531768739.db2.gz RWOMVJWRNMVVIV-NUJGCVRESA-N 1 0 383.583 1.891 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)[C@@H]1SC ZINC000592170170 531768903 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GDADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000641034648 531773749 /nfs/dbraw/zinc/77/37/49/531773749.db2.gz UAAJKHNTKPHKIV-GJZGRUSLSA-N 1 0 395.301 1.774 20 0 GDADRO Cc1c(Br)cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(=O)n1C ZINC000452371757 531774399 /nfs/dbraw/zinc/77/43/99/531774399.db2.gz IMJIYTNECXSSDI-LBPRGKRZSA-N 1 0 386.290 1.033 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cnn2cc(Br)cnc12 ZINC000452375990 531774922 /nfs/dbraw/zinc/77/49/22/531774922.db2.gz BPSXJMGRBVUZNG-GFCCVEGCSA-N 1 0 382.262 1.068 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417467028 531774919 /nfs/dbraw/zinc/77/49/19/531774919.db2.gz VLBFZNSROPOTPF-CQSZACIVSA-N 1 0 383.290 1.572 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000417474907 531775908 /nfs/dbraw/zinc/77/59/08/531775908.db2.gz AMJUDWDMGVTFSM-ZDUSSCGKSA-N 1 0 399.289 1.374 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417487704 531776396 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COC(=O)c1cc(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)cs1 ZINC000269839301 531779522 /nfs/dbraw/zinc/77/95/22/531779522.db2.gz YJFOBEHXYBWGPS-UHFFFAOYSA-N 1 0 376.500 1.002 20 0 GDADRO COc1ccc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000562796822 531779888 /nfs/dbraw/zinc/77/98/88/531779888.db2.gz IKHNNCMMEBYGSV-CQSZACIVSA-N 1 0 397.317 1.647 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418087514 531801655 /nfs/dbraw/zinc/80/16/55/531801655.db2.gz HIUXKMQMUHJNSD-KGLIPLIRSA-N 1 0 381.274 1.687 20 0 GDADRO [NH3+]CC1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000418085529 531801794 /nfs/dbraw/zinc/80/17/94/531801794.db2.gz AIBUIUXMOOUESA-OAHLLOKOSA-N 1 0 395.301 1.935 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000667671777 531783973 /nfs/dbraw/zinc/78/39/73/531783973.db2.gz KMDMLUSJLBXFOR-VXGBXAGGSA-N 1 0 398.305 1.930 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(Cc2nc3ccc(Br)cc3n2C)nn1 ZINC000641173044 531784074 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C[NH2+][C@@H]1CCN(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000417840733 531787257 /nfs/dbraw/zinc/78/72/57/531787257.db2.gz SDSDBBFLFZWCJA-SECBINFHSA-N 1 0 376.770 1.905 20 0 GDADRO COC[C@@]1(CNC(=O)NCCOc2ncc(Cl)cc2Cl)CCC[NH2+]1 ZINC000417884932 531787720 /nfs/dbraw/zinc/78/77/20/531787720.db2.gz INRDIQNXMZMKHT-HNNXBMFYSA-N 1 0 377.272 1.835 20 0 GDADRO CO[C@H]1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000417880584 531787728 /nfs/dbraw/zinc/78/77/28/531787728.db2.gz DEEHTXPYYHIZNR-NEPJUHHUSA-N 1 0 377.272 1.915 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c(C)s1 ZINC000417907856 531789189 /nfs/dbraw/zinc/78/91/89/531789189.db2.gz FXJJMNLOCHFUPF-KBPBESRZSA-N 1 0 388.559 1.460 20 0 GDADRO [NH3+][C@H](c1cn(C[C@@H](O)CC2(O)CCC2)nn1)c1ccc(Br)cc1 ZINC000641231190 531789310 /nfs/dbraw/zinc/78/93/10/531789310.db2.gz ZFIWTCWOYJIJQY-ZFWWWQNUSA-N 1 0 381.274 1.755 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000269867686 531789725 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20 0 GDADRO O=C(NCCSCC(F)(F)F)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417963464 531793610 /nfs/dbraw/zinc/79/36/10/531793610.db2.gz IFIRKDYGUHZIBF-VIFPVBQESA-N 1 0 382.374 1.417 20 0 GDADRO CCS(=O)(=O)NCC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000562989244 531794301 /nfs/dbraw/zinc/79/43/01/531794301.db2.gz ZXZJDQZOIRVMFQ-UHFFFAOYSA-N 1 0 378.292 1.307 20 0 GDADRO C[C@@](O)(C[NH2+]CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000562988341 531794560 /nfs/dbraw/zinc/79/45/60/531794560.db2.gz VXNVXUMNAGJELA-OAHLLOKOSA-N 1 0 379.810 1.892 20 0 GDADRO CN1CC[C@H]([N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)C1=O ZINC000511590849 531794858 /nfs/dbraw/zinc/79/48/58/531794858.db2.gz CYQMJNJDHKRCFX-JSGCOSHPSA-N 1 0 375.238 1.490 20 0 GDADRO CC[NH2+]CCNC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000418015540 531796708 /nfs/dbraw/zinc/79/67/08/531796708.db2.gz PXIMZOTTYBQUIZ-CQSZACIVSA-N 1 0 383.290 1.772 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)C1 ZINC000366975264 531797467 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C[C@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(F)c(Br)c2)CC[NH2+]1 ZINC000418849240 531854852 /nfs/dbraw/zinc/85/48/52/531854852.db2.gz OCHOWVBTWHFYGV-CMPLNLGQSA-N 1 0 386.265 1.504 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C(N)=O ZINC000624390750 531840843 /nfs/dbraw/zinc/84/08/43/531840843.db2.gz HXMNFMSTKUQCST-MFKMUULPSA-N 1 0 379.404 1.242 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2c(Cl)cccc2Br)CCOCC1 ZINC000624388216 531841038 /nfs/dbraw/zinc/84/10/38/531841038.db2.gz QFTMKVMZTPHLQV-UHFFFAOYSA-N 1 0 383.695 1.889 20 0 GDADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418800601 531842206 /nfs/dbraw/zinc/84/22/06/531842206.db2.gz BRLJYMJXQLTKIM-VNLRXTSXSA-N 1 0 398.276 1.817 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000624396955 531843168 /nfs/dbraw/zinc/84/31/68/531843168.db2.gz KBLWEHSTALTLRX-UHFFFAOYSA-N 1 0 394.335 1.372 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C1CC1 ZINC000418807347 531843218 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COCCC[N@H+](C)CCNC(=O)C(=O)NCc1ccccc1Br ZINC000283432076 531863349 /nfs/dbraw/zinc/86/33/49/531863349.db2.gz BQLZOAMDPNGFKX-UHFFFAOYSA-N 1 0 386.290 1.150 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CCO1 ZINC000642756840 531863801 /nfs/dbraw/zinc/86/38/01/531863801.db2.gz CUPLETBOTYJENV-GYSYKLTISA-N 1 0 388.295 1.788 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000642712837 531863921 /nfs/dbraw/zinc/86/39/21/531863921.db2.gz TUCVBYHGEVYOCT-DOMZBBRYSA-N 1 0 398.301 1.257 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418922045 531863867 /nfs/dbraw/zinc/86/38/67/531863867.db2.gz DGABHDRCSKUSNM-LALPHHSUSA-N 1 0 398.276 1.709 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000367798404 531864325 /nfs/dbraw/zinc/86/43/25/531864325.db2.gz QOLQAMSAJHUUHZ-SKDRFNHKSA-N 1 0 393.278 1.969 20 0 GDADRO [NH3+]CCN(CCO)C(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418931108 531864897 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1.858 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000566101859 531880030 /nfs/dbraw/zinc/88/00/30/531880030.db2.gz SSPWOHJHIHMANO-ZDUSSCGKSA-N 1 0 396.264 1.407 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)NCCOCC[NH+](C)C)c(Cl)cc21 ZINC000625119452 531880230 /nfs/dbraw/zinc/88/02/30/531880230.db2.gz BODJMFAXCLNEOP-UHFFFAOYSA-N 1 0 389.905 1.106 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cc(F)c(F)cc1I ZINC000566101543 531880452 /nfs/dbraw/zinc/88/04/52/531880452.db2.gz BUWSLJKTAVJEQK-QMMMGPOBSA-N 1 0 395.191 1.203 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419024879 531883420 /nfs/dbraw/zinc/88/34/20/531883420.db2.gz RCYUZWDLOGQCBB-GXTWGEPZSA-N 1 0 396.285 1.729 20 0 GDADRO CN(C(=O)C(=O)NCc1ccc(Br)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000419035059 531883945 /nfs/dbraw/zinc/88/39/45/531883945.db2.gz FAIDUABIPIQRSE-LBPRGKRZSA-N 1 0 386.265 1.805 20 0 GDADRO COCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000672842648 531869615 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C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419051974 531892954 /nfs/dbraw/zinc/89/29/54/531892954.db2.gz GXXJJCDDZZAORX-GXTWGEPZSA-N 1 0 382.302 1.755 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccccc2Br)C1 ZINC000419053636 531893470 /nfs/dbraw/zinc/89/34/70/531893470.db2.gz KHYHXTABUOCILJ-ZIAGYGMSSA-N 1 0 396.329 1.954 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419055216 531894029 /nfs/dbraw/zinc/89/40/29/531894029.db2.gz NTCKNONUIWSZBK-JQWIXIFHSA-N 1 0 386.265 1.504 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419053947 531894139 /nfs/dbraw/zinc/89/41/39/531894139.db2.gz KYFUIXIYHGHGAS-KBPBESRZSA-N 1 0 382.302 1.755 20 0 GDADRO [NH3+]C1(CNC(=O)c2sc3c(c2I)CNC3)CCC1 ZINC000595949570 531895660 /nfs/dbraw/zinc/89/56/60/531895660.db2.gz WTENJXZUSFYFPT-UHFFFAOYSA-N 1 0 377.251 1.567 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419060598 531896279 /nfs/dbraw/zinc/89/62/79/531896279.db2.gz ZJNQSTJNBOPSJX-BZPMIXESSA-N 1 0 382.302 1.753 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000419062120 531896290 /nfs/dbraw/zinc/89/62/90/531896290.db2.gz FEOKRJIPVDGQGG-QGZVFWFLSA-N 1 0 382.302 1.880 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000419064529 531896511 /nfs/dbraw/zinc/89/65/11/531896511.db2.gz ICKYNLNMZOOGFP-OLZOCXBDSA-N 1 0 382.302 1.960 20 0 GDADRO CN(C(=O)C(=O)NCC1(c2cccc(Br)c2)CC1)C1CC[NH2+]CC1 ZINC000419078297 531897378 /nfs/dbraw/zinc/89/73/78/531897378.db2.gz KVRTVZQKKNXGPF-UHFFFAOYSA-N 1 0 394.313 1.807 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1F ZINC000567612545 531899174 /nfs/dbraw/zinc/89/91/74/531899174.db2.gz SZYHLKPLEDDDSD-GHMZBOCLSA-N 1 0 381.495 1.380 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419032221 531884724 /nfs/dbraw/zinc/88/47/24/531884724.db2.gz ASPISUPTTGVWSJ-MRVPVSSYSA-N 1 0 382.675 1.947 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419036424 531884885 /nfs/dbraw/zinc/88/48/85/531884885.db2.gz GVQJAQDWIPWIRN-HZMBPMFUSA-N 1 0 386.265 1.933 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000419042241 531887214 /nfs/dbraw/zinc/88/72/14/531887214.db2.gz LKHXPEQYOVCOJD-PSASIEDQSA-N 1 0 378.420 1.973 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2c(=O)scc2C(F)(F)F)C1 ZINC000673975220 531887490 /nfs/dbraw/zinc/88/74/90/531887490.db2.gz KWXKHEWMSRKXEH-LLVKDONJSA-N 1 0 381.420 1.402 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419042019 531887593 /nfs/dbraw/zinc/88/75/93/531887593.db2.gz ORUIAZPYRIDQFR-GYSYKLTISA-N 1 0 396.285 1.633 20 0 GDADRO COc1cc(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)ccc1Cl ZINC000566502420 531888505 /nfs/dbraw/zinc/88/85/05/531888505.db2.gz VJAHLOXXAAFWLT-UHFFFAOYSA-N 1 0 387.933 1.843 20 0 GDADRO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CN1CCOCC1 ZINC000567605775 531899542 /nfs/dbraw/zinc/89/95/42/531899542.db2.gz DWMYEDYNBHBXBS-GDBMZVCRSA-N 1 0 387.318 1.747 20 0 GDADRO O=C(NCc1cc(Cl)ccc1OC(F)F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419045200 531889451 /nfs/dbraw/zinc/88/94/51/531889451.db2.gz RTBRVIGBWZEOOV-LBPRGKRZSA-N 1 0 375.803 1.816 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000419049016 531890955 /nfs/dbraw/zinc/89/09/55/531890955.db2.gz AJGUYVAUFBXHPC-TZMCWYRMSA-N 1 0 380.286 1.442 20 0 GDADRO C[C@@H](CC(=O)N(C)C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000566684549 531891103 /nfs/dbraw/zinc/89/11/03/531891103.db2.gz NYYWSRWSIHKSEL-JTQLQIEISA-N 1 0 382.313 1.728 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000567979888 531905179 /nfs/dbraw/zinc/90/51/79/531905179.db2.gz ATRPQBALPOPMHK-ZDUSSCGKSA-N 1 0 382.306 1.030 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000419161302 531905811 /nfs/dbraw/zinc/90/58/11/531905811.db2.gz CXFGZEOMKSDHRJ-BXUZGUMPSA-N 1 0 388.295 1.870 20 0 GDADRO O[C@H](C[NH2+]CCc1ccc(I)cc1)CN1CCOCC1 ZINC000596065599 531906644 /nfs/dbraw/zinc/90/66/44/531906644.db2.gz UDPDFIVBJYNOTK-OAHLLOKOSA-N 1 0 390.265 1.116 20 0 GDADRO O[C@@H](C[NH2+]CCc1ccc(I)cc1)CN1CCOCC1 ZINC000596065598 531906818 /nfs/dbraw/zinc/90/68/18/531906818.db2.gz UDPDFIVBJYNOTK-HNNXBMFYSA-N 1 0 390.265 1.116 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN(C)C1CC([NH3+])C1 ZINC000647982844 531906923 /nfs/dbraw/zinc/90/69/23/531906923.db2.gz RVDUCGHSAMKNPO-UHFFFAOYSA-N 1 0 397.317 1.576 20 0 GDADRO CC[C@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000647938344 531907166 /nfs/dbraw/zinc/90/71/66/531907166.db2.gz KKAHQORXKIHLDP-GXTWGEPZSA-N 1 0 397.317 1.563 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419163035 531907168 /nfs/dbraw/zinc/90/71/68/531907168.db2.gz ISVNWPHCQBTRNJ-LBPRGKRZSA-N 1 0 382.302 1.960 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cc(F)ccc1Br ZINC000419163504 531907274 /nfs/dbraw/zinc/90/72/74/531907274.db2.gz WSTJFXDYGOEFMX-QMTHXVAHSA-N 1 0 386.265 1.838 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368379813 531907711 /nfs/dbraw/zinc/90/77/11/531907711.db2.gz VMQLXAMZOLFOAC-FZMZJTMJSA-N 1 0 391.269 1.369 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419164749 531907721 /nfs/dbraw/zinc/90/77/21/531907721.db2.gz MMPYQSBEFATBCR-GFCCVEGCSA-N 1 0 388.295 1.742 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419166081 531908246 /nfs/dbraw/zinc/90/82/46/531908246.db2.gz OFHKQQKWKSQYOF-XHDPSFHLSA-N 1 0 388.295 1.740 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419166811 531908814 /nfs/dbraw/zinc/90/88/14/531908814.db2.gz PRYFUTVERSXFEN-JGGQBBKZSA-N 1 0 394.313 1.878 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419166829 531909205 /nfs/dbraw/zinc/90/92/05/531909205.db2.gz PUTNUVNITLEVBY-NSHDSACASA-N 1 0 376.284 1.598 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000568512180 531909513 /nfs/dbraw/zinc/90/95/13/531909513.db2.gz NJZBGFANWRJGTD-GXTWGEPZSA-N 1 0 389.518 1.046 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000419186464 531909843 /nfs/dbraw/zinc/90/98/43/531909843.db2.gz IFWZLDOIKNSPCO-DZGCQCFKSA-N 1 0 382.302 1.742 20 0 GDADRO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](C[C@H](O)COCC(F)(F)F)C1 ZINC000368396525 531909951 /nfs/dbraw/zinc/90/99/51/531909951.db2.gz DNOHECOOMXVUHC-UONOGXRCSA-N 1 0 388.452 1.253 20 0 GDADRO CNC(=O)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456365473 531910720 /nfs/dbraw/zinc/91/07/20/531910720.db2.gz IEKNIGSYZZTYMX-LLVKDONJSA-N 1 0 383.290 1.664 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419194159 531912112 /nfs/dbraw/zinc/91/21/12/531912112.db2.gz SFNFTBLMNHYJKU-OFQRWUPVSA-N 1 0 394.313 1.612 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccccc1Br ZINC000419199891 531912174 /nfs/dbraw/zinc/91/21/74/531912174.db2.gz DCWXBFCGLORDNW-DOMZBBRYSA-N 1 0 382.302 1.836 20 0 GDADRO O=C(NCCc1ccccc1Br)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419199987 531912192 /nfs/dbraw/zinc/91/21/92/531912192.db2.gz DJAIYJUBTDKFOH-KGLIPLIRSA-N 1 0 380.286 1.461 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccccc1Br ZINC000419206010 531913025 /nfs/dbraw/zinc/91/30/25/531913025.db2.gz MBVOGLGOEWTZQT-DZGCQCFKSA-N 1 0 382.302 1.742 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCCN1CCCS1(=O)=O ZINC000674624944 531899999 /nfs/dbraw/zinc/89/99/99/531899999.db2.gz NLPNOCJNLSSXFH-UHFFFAOYSA-N 1 0 388.559 1.247 20 0 GDADRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1cc2c(c(Br)c1)OCO2 ZINC000567809871 531902222 /nfs/dbraw/zinc/90/22/22/531902222.db2.gz DDQLLLXKELPQIJ-UHFFFAOYSA-N 1 0 382.214 1.352 20 0 GDADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)cc1 ZINC000647914285 531902903 /nfs/dbraw/zinc/90/29/03/531902903.db2.gz NBBTUOFEQFOMTN-RTXFEEFZSA-N 1 0 378.479 1.871 20 0 GDADRO C[C@@H](NC(=O)NCC1(NS(C)(=O)=O)CCCCC1)C(C)(C)C[NH+](C)C ZINC000674723467 531904117 /nfs/dbraw/zinc/90/41/17/531904117.db2.gz DJZLDJLHWRRXLW-CQSZACIVSA-N 1 0 376.567 1.514 20 0 GDADRO C[C@H](NC(=O)NCC1(NS(C)(=O)=O)CCCCC1)C(C)(C)C[NH+](C)C ZINC000674723466 531904753 /nfs/dbraw/zinc/90/47/53/531904753.db2.gz DJZLDJLHWRRXLW-AWEZNQCLSA-N 1 0 376.567 1.514 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000419146295 531904882 /nfs/dbraw/zinc/90/48/82/531904882.db2.gz IHIIGZHWRAGSBW-YVEFUNNKSA-N 1 0 380.286 1.838 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000419256895 531917554 /nfs/dbraw/zinc/91/75/54/531917554.db2.gz XXJSTSYMAKPOMK-CMPLNLGQSA-N 1 0 384.299 1.532 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000419257252 531917686 /nfs/dbraw/zinc/91/76/86/531917686.db2.gz YJYLSEXELMYHAD-XWIASGKRSA-N 1 0 398.326 1.956 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419254038 531917702 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1.903 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)CC1 ZINC000419258717 531920133 /nfs/dbraw/zinc/92/01/33/531920133.db2.gz ZSBALPXIEJSDAQ-ZDUSSCGKSA-N 1 0 398.326 1.909 20 0 GDADRO COc1cc(C)c(Br)cc1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000569354344 531921273 /nfs/dbraw/zinc/92/12/73/531921273.db2.gz JMOIAAAZRFWEBZ-NSHDSACASA-N 1 0 386.290 1.562 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419281350 531921275 /nfs/dbraw/zinc/92/12/75/531921275.db2.gz BBWFTPJMWFKMEW-UHFFFAOYSA-N 1 0 380.286 1.718 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000569482602 531922503 /nfs/dbraw/zinc/92/25/03/531922503.db2.gz LLTVFLDNQMPPPS-NSHDSACASA-N 1 0 381.951 1.854 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3nc(C(F)(F)F)cs3)C[C@H]21 ZINC000419300681 531922758 /nfs/dbraw/zinc/92/27/58/531922758.db2.gz JRTDEXINBDGIQR-IVZWLZJFSA-N 1 0 376.404 1.364 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419301071 531922898 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GDADRO O=C(NCCc1ccccc1Br)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419212385 531915016 /nfs/dbraw/zinc/91/50/16/531915016.db2.gz ZZJMCIFSJOQWKH-UONOGXRCSA-N 1 0 380.286 1.176 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cc(Br)cs3)[C@H]2C1 ZINC000283971223 531915072 /nfs/dbraw/zinc/91/50/72/531915072.db2.gz OVGMNKLYRBXSFE-GWCFXTLKSA-N 1 0 386.315 1.679 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419211909 531915346 /nfs/dbraw/zinc/91/53/46/531915346.db2.gz YNRKHKUKVKRWSL-ZDUSSCGKSA-N 1 0 384.274 1.414 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419208897 531915478 /nfs/dbraw/zinc/91/54/78/531915478.db2.gz SDFGKFZTXDHNAE-QGZVFWFLSA-N 1 0 398.301 1.580 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000648826127 531915938 /nfs/dbraw/zinc/91/59/38/531915938.db2.gz YWTDZGIDLQXPOH-LLVKDONJSA-N 1 0 380.242 1.811 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419242126 531916470 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CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000626848741 531936427 /nfs/dbraw/zinc/93/64/27/531936427.db2.gz HTJFJLBUNRGESD-CYBMUJFWSA-N 1 0 385.873 1.083 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000419543048 531936430 /nfs/dbraw/zinc/93/64/30/531936430.db2.gz FDUKWYXVIKYSCF-UHFFFAOYSA-N 1 0 382.770 1.104 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCOCC1 ZINC000626858318 531936576 /nfs/dbraw/zinc/93/65/76/531936576.db2.gz BRZQISOJASPQFW-UHFFFAOYSA-N 1 0 379.766 1.921 20 0 GDADRO C[C@]1(NC(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)CC[NH2+]C1 ZINC000626841926 531936635 /nfs/dbraw/zinc/93/66/35/531936635.db2.gz FFGMCMKDCFNYPQ-INIZCTEOSA-N 1 0 378.270 1.696 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000570306460 531937457 /nfs/dbraw/zinc/93/74/57/531937457.db2.gz DBSNFFRKRLCDNJ-UONOGXRCSA-N 1 0 397.317 1.706 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c(Br)c1 ZINC000626849573 531937638 /nfs/dbraw/zinc/93/76/38/531937638.db2.gz ASLFWYNTICBTNN-CYBMUJFWSA-N 1 0 382.258 1.797 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3ccc(Br)cc3)[C@H]2C1 ZINC000284188159 531938728 /nfs/dbraw/zinc/93/87/28/531938728.db2.gz WFVOSDVVXWASRS-HOCLYGCPSA-N 1 0 394.313 1.660 20 0 GDADRO CSc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000626860641 531938859 /nfs/dbraw/zinc/93/88/59/531938859.db2.gz HUSOSGPHAOMMJN-ONGXEEELSA-N 1 0 376.404 1.728 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NCC2([NH3+])CCOCC2)cc1Br ZINC000626858705 531939195 /nfs/dbraw/zinc/93/91/95/531939195.db2.gz ALHAFWVGUUZDND-UHFFFAOYSA-N 1 0 384.274 1.629 20 0 GDADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000626860635 531939319 /nfs/dbraw/zinc/93/93/19/531939319.db2.gz HUSOSGPHAOMMJN-GXSJLCMTSA-N 1 0 376.404 1.728 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368638533 531927689 /nfs/dbraw/zinc/92/76/89/531927689.db2.gz ODQNAVYQWKNELS-QWRGUYRKSA-N 1 0 393.868 1.029 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419352551 531928368 /nfs/dbraw/zinc/92/83/68/531928368.db2.gz IPSATVOTOUXHLW-NEPJUHHUSA-N 1 0 398.301 1.578 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000419609693 531940833 /nfs/dbraw/zinc/94/08/33/531940833.db2.gz JIAAROWESGCPBI-JHJVBQTASA-N 1 0 398.301 1.528 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1F ZINC000369064054 531941207 /nfs/dbraw/zinc/94/12/07/531941207.db2.gz LJDVYKZOFAASBJ-LBPRGKRZSA-N 1 0 393.506 1.396 20 0 GDADRO CC(C)[NH+](CCNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1)C(C)C ZINC000284246107 531942338 /nfs/dbraw/zinc/94/23/38/531942338.db2.gz YYFHFIDPZZGKHA-CQSZACIVSA-N 1 0 384.571 1.995 20 0 GDADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419620647 531943222 /nfs/dbraw/zinc/94/32/22/531943222.db2.gz DZCFYRABYQGRLE-IAQYHMDHSA-N 1 0 398.301 1.510 20 0 GDADRO CC1CC[NH+](CCNC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)CC1 ZINC000284266064 531943398 /nfs/dbraw/zinc/94/33/98/531943398.db2.gz MMNHMRAJUIVWQY-CQSZACIVSA-N 1 0 382.555 1.608 20 0 GDADRO C[NH2+]CCOCCNC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000627029578 531943635 /nfs/dbraw/zinc/94/36/35/531943635.db2.gz YFNFZGPKXOKJKM-LBPRGKRZSA-N 1 0 376.226 1.557 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419622117 531944019 /nfs/dbraw/zinc/94/40/19/531944019.db2.gz GIIBUDQJYSNENZ-ZOWXZIJZSA-N 1 0 398.301 1.462 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)Oc1ccccc1Br ZINC000419622362 531944126 /nfs/dbraw/zinc/94/41/26/531944126.db2.gz SSUHDTSYVNYDKK-VXGBXAGGSA-N 1 0 384.274 1.140 20 0 GDADRO C[S@](=O)C[C@@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1ccccc1 ZINC000298974994 531944886 /nfs/dbraw/zinc/94/48/86/531944886.db2.gz PIKFLWNDNJGHRJ-PWECECGKSA-N 1 0 379.507 1.885 20 0 GDADRO CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1Cl ZINC000570963998 531946191 /nfs/dbraw/zinc/94/61/91/531946191.db2.gz ASZHXAGEUQEQQX-SECBINFHSA-N 1 0 396.296 1.182 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652377464 531946702 /nfs/dbraw/zinc/94/67/02/531946702.db2.gz HQVOTOWERZLNKC-OCCSQVGLSA-N 1 0 390.527 1.237 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@H]1C[NH3+] ZINC000652379488 531947036 /nfs/dbraw/zinc/94/70/36/531947036.db2.gz OASOQNNOWWIMED-BXUZGUMPSA-N 1 0 387.889 1.209 20 0 GDADRO O=C(CSCc1cc(=O)n2ccsc2n1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299017188 531948363 /nfs/dbraw/zinc/94/83/63/531948363.db2.gz LMMGEMLOWGTZQK-ZIAGYGMSSA-N 1 0 378.523 1.732 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cn1 ZINC000627296854 531949633 /nfs/dbraw/zinc/94/96/33/531949633.db2.gz UYGAGHXTYWSPJJ-ZWNOBZJWSA-N 1 0 381.274 1.422 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419670010 531951294 /nfs/dbraw/zinc/95/12/94/531951294.db2.gz CGPISAHXHIWZPT-CYBMUJFWSA-N 1 0 384.274 1.100 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)Oc1ccc(Br)cc1 ZINC000419603233 531940091 /nfs/dbraw/zinc/94/00/91/531940091.db2.gz AYPZKPWRHORWHO-LBPRGKRZSA-N 1 0 398.301 1.530 20 0 GDADRO C[C@H](CNC(=O)c1nc2ncc(Br)cn2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000299121927 531959316 /nfs/dbraw/zinc/95/93/16/531959316.db2.gz FFMBONVILUWHFR-WDEREUQCSA-N 1 0 381.278 1.737 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000419719575 531960518 /nfs/dbraw/zinc/96/05/18/531960518.db2.gz CNZYLUNBFLJZKK-UHFFFAOYSA-N 1 0 377.794 1.972 20 0 GDADRO O=C(Cc1ccccc1Br)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369356680 531960620 /nfs/dbraw/zinc/96/06/20/531960620.db2.gz YIQXADIHMJYAQL-MRXNPFEDSA-N 1 0 396.329 1.514 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000654065359 531961148 /nfs/dbraw/zinc/96/11/48/531961148.db2.gz KHDANCQOORWZBA-KLPPZKSPSA-N 1 0 389.315 1.923 20 0 GDADRO O=C(NCc1sccc1Br)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284492501 531963368 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[NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000419755736 531964966 /nfs/dbraw/zinc/96/49/66/531964966.db2.gz DXBFVGBQZXOECU-VXGBXAGGSA-N 1 0 385.295 1.638 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000419761191 531966206 /nfs/dbraw/zinc/96/62/06/531966206.db2.gz PKQSOFBOLTVADF-CHWSQXEVSA-N 1 0 385.295 1.638 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419778125 531967396 /nfs/dbraw/zinc/96/73/96/531967396.db2.gz MIUJVUPUFAUJIA-NSHDSACASA-N 1 0 398.301 1.832 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419785589 531968618 /nfs/dbraw/zinc/96/86/18/531968618.db2.gz XBQMAEYSMXHKOE-ZWNOBZJWSA-N 1 0 386.290 1.734 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000419784764 531969006 /nfs/dbraw/zinc/96/90/06/531969006.db2.gz VGKKQIWIQYGMQD-AAEUAGOBSA-N 1 0 398.301 1.845 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419784737 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531986406 /nfs/dbraw/zinc/98/64/06/531986406.db2.gz HNMMVKCDDATFOZ-UHFFFAOYSA-N 1 0 399.333 1.735 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(C)CCNC(C)=O ZINC000573565341 531987088 /nfs/dbraw/zinc/98/70/88/531987088.db2.gz FIWWXXWWQZPYBW-NSHDSACASA-N 1 0 386.290 1.530 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)Cc1cccc(Cl)c1)NCc1ccccc1 ZINC000573557189 531987395 /nfs/dbraw/zinc/98/73/95/531987395.db2.gz WBRSTXISJHNTCH-GOSISDBHSA-N 1 0 382.913 1.953 20 0 GDADRO CCc1n[nH]c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1Br ZINC000370497102 531988616 /nfs/dbraw/zinc/98/86/16/531988616.db2.gz AIZZTGWFJIBZBO-ZDUSSCGKSA-N 1 0 398.349 1.977 20 0 GDADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC(F)F)c(F)c1 ZINC000370500735 531989212 /nfs/dbraw/zinc/98/92/12/531989212.db2.gz SBSOZLPYNYWQRQ-QWRGUYRKSA-N 1 0 380.388 1.569 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000419956421 531989667 /nfs/dbraw/zinc/98/96/67/531989667.db2.gz OEIBGHPOYWFKGZ-DZGCQCFKSA-N 1 0 397.317 1.997 20 0 GDADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCCCCS(N)(=O)=O)CC1 ZINC000458826015 531996629 /nfs/dbraw/zinc/99/66/29/531996629.db2.gz HHJSEADGXCOBOB-UHFFFAOYSA-N 1 0 376.567 1.597 20 0 GDADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000299517509 531995436 /nfs/dbraw/zinc/99/54/36/531995436.db2.gz OSZDBYDUXQVPCS-HNNXBMFYSA-N 1 0 383.539 1.644 20 0 GDADRO O=S(=O)(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cncc(Cl)c1 ZINC000657083431 531998454 /nfs/dbraw/zinc/99/84/54/531998454.db2.gz CERNULUKYDEJCC-INIZCTEOSA-N 1 0 381.885 1.780 20 0 GDADRO Cc1nc(CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)sc1Br ZINC000458937983 532002299 /nfs/dbraw/zinc/00/22/99/532002299.db2.gz ZCMALSSUHYSAQW-AOOOYVTPSA-N 1 0 391.335 1.811 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CCC1 ZINC000420100457 532002820 /nfs/dbraw/zinc/00/28/20/532002820.db2.gz ZUJAASKNLQLDJW-AWEZNQCLSA-N 1 0 396.285 1.347 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C1 ZINC000574885610 532001499 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COC(=O)[C@H](C)CS(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000576165343 532019279 /nfs/dbraw/zinc/01/92/79/532019279.db2.gz ALVJDOMGGDVSDB-TZMCWYRMSA-N 1 0 376.906 1.714 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000371494704 532018130 /nfs/dbraw/zinc/01/81/30/532018130.db2.gz GUFYUKNUZFLQES-QLFBSQMISA-N 1 0 383.539 1.644 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C[C@@H]1C[NH3+] ZINC000420471119 532020221 /nfs/dbraw/zinc/02/02/21/532020221.db2.gz AKWVRXMITTUAQP-KOLCDFICSA-N 1 0 390.303 1.153 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C[C@@]1(C)C[NH3+] ZINC000420466007 532019536 /nfs/dbraw/zinc/01/95/36/532019536.db2.gz WOADUZCHMVPNFH-YMTOWFKASA-N 1 0 390.303 1.153 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c(Br)c1 ZINC000420470898 532020812 /nfs/dbraw/zinc/02/08/12/532020812.db2.gz OIZVPDWAAQRZPT-NSHDSACASA-N 1 0 379.276 1.196 20 0 GDADRO CN(C)S(=O)(=O)NCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000459543687 532020857 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CN(CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C(=O)c1ccc(Br)s1 ZINC000373059395 532062329 /nfs/dbraw/zinc/06/23/29/532062329.db2.gz UGTCMUJUDBNGEF-MNOVXSKESA-N 1 0 386.315 1.793 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000467711764 532062525 /nfs/dbraw/zinc/06/25/25/532062525.db2.gz WBDFJLWUOYDBAD-ONGXEEELSA-N 1 0 377.919 1.279 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cc(Br)ccn2)CC1 ZINC000285297773 532063981 /nfs/dbraw/zinc/06/39/81/532063981.db2.gz RVUZDZUZUMZPBT-ZDUSSCGKSA-N 1 0 396.289 1.614 20 0 GDADRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000579709819 532064613 /nfs/dbraw/zinc/06/46/13/532064613.db2.gz JHRSXZCJDLCLFH-NSHDSACASA-N 1 0 399.332 1.114 20 0 GDADRO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1=O ZINC000579704131 532064715 /nfs/dbraw/zinc/06/47/15/532064715.db2.gz QDAZKTDUYXXCSU-DZGCQCFKSA-N 1 0 389.265 1.927 20 0 GDADRO COCC(=O)N1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000319849032 532065979 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[NH3+]CCCn1cc(C(=O)NCCCc2ccc(Br)cc2F)nn1 ZINC000423199582 532073552 /nfs/dbraw/zinc/07/35/52/532073552.db2.gz CAFZPDBEVADLPQ-UHFFFAOYSA-N 1 0 384.253 1.891 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000423104974 532072820 /nfs/dbraw/zinc/07/28/20/532072820.db2.gz HVCYEOXSGQSLFP-HIFRSBDPSA-N 1 0 375.922 1.283 20 0 GDADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1I ZINC000602332126 532074738 /nfs/dbraw/zinc/07/47/38/532074738.db2.gz JJJLKYFUWLNMED-GHMZBOCLSA-N 1 0 388.253 1.724 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2C)C1 ZINC000423463865 532075092 /nfs/dbraw/zinc/07/50/92/532075092.db2.gz WFJCZYFJDIDRAR-CYBMUJFWSA-N 1 0 382.302 1.784 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000423483894 532075456 /nfs/dbraw/zinc/07/54/56/532075456.db2.gz SBUHULRXSHIKEE-LBPRGKRZSA-N 1 0 382.302 1.963 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2F)CC[C@H]1[NH3+] ZINC000423230806 532073872 /nfs/dbraw/zinc/07/38/72/532073872.db2.gz 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20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1C ZINC000273801486 532171182 /nfs/dbraw/zinc/17/11/82/532171182.db2.gz IECQHZOHSRXCTE-ZIAGYGMSSA-N 1 0 386.543 1.412 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000426838174 532172491 /nfs/dbraw/zinc/17/24/91/532172491.db2.gz ZNWWDVBXVIYZSD-CQSZACIVSA-N 1 0 381.420 1.277 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)NCCn2cc(Br)cn2)C[C@@H](C)O1 ZINC000286738489 532173063 /nfs/dbraw/zinc/17/30/63/532173063.db2.gz WAPJRJSAEHBYKK-CHWSQXEVSA-N 1 0 388.310 1.444 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C[C@@H]1[NH+](C)C ZINC000273845502 532173948 /nfs/dbraw/zinc/17/39/48/532173948.db2.gz MQZGLZASHJFBQU-GJZGRUSLSA-N 1 0 389.518 1.880 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCC(n3cc(Br)cn3)CC2)C[C@H](C)[NH2+]1 ZINC000332258421 532175517 /nfs/dbraw/zinc/17/55/17/532175517.db2.gz BMTLSLKTOIZHDJ-RYUDHWBXSA-N 1 0 398.305 1.018 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cnc(Cl)c(F)c3)C2)CC1 ZINC000287031681 532191556 /nfs/dbraw/zinc/19/15/56/532191556.db2.gz VPDHFOXVGLKRNO-LBPRGKRZSA-N 1 0 376.885 1.275 20 0 GDADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000287072395 532194343 /nfs/dbraw/zinc/19/43/43/532194343.db2.gz UUMQFMHKPWNPHO-ZDUSSCGKSA-N 1 0 387.311 1.314 20 0 GDADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000427928304 532194422 /nfs/dbraw/zinc/19/44/22/532194422.db2.gz CKWTVGAZJABDRN-ZIAGYGMSSA-N 1 0 390.889 1.644 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000332549593 532194504 /nfs/dbraw/zinc/19/45/04/532194504.db2.gz IRNBJOLAUCKBEN-KWQFWETISA-N 1 0 388.212 1.876 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000332568899 532195662 /nfs/dbraw/zinc/19/56/62/532195662.db2.gz ASKDJUZUOIWXFC-JSGCOSHPSA-N 1 0 394.313 1.920 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)CC[C@H]1[NH3+] ZINC000332572569 532195760 /nfs/dbraw/zinc/19/57/60/532195760.db2.gz 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ZINC000332605267 532198889 /nfs/dbraw/zinc/19/88/89/532198889.db2.gz NNZKQMZHBFUYCC-LBPRGKRZSA-N 1 0 394.313 1.920 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000332443240 532186631 /nfs/dbraw/zinc/18/66/31/532186631.db2.gz CQFAKVIZOPXLCE-NHYWBVRUSA-N 1 0 380.286 1.591 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000332480437 532189190 /nfs/dbraw/zinc/18/91/90/532189190.db2.gz MIONJSLWNJERRU-GHMZBOCLSA-N 1 0 398.276 1.730 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000332482915 532190194 /nfs/dbraw/zinc/19/01/94/532190194.db2.gz MZVQCANZJBJFJN-TZMCWYRMSA-N 1 0 394.313 1.899 20 0 GDADRO CN(C)c1cc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ncc1Br ZINC000332690442 532205623 /nfs/dbraw/zinc/20/56/23/532205623.db2.gz QSINKWAXWLDIKV-LBPRGKRZSA-N 1 0 397.321 1.422 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000287283508 532206634 /nfs/dbraw/zinc/20/66/34/532206634.db2.gz 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COC(=O)CC[N@@H+](CC(OC)OC)C[C@H](O)COc1ccccc1Cl ZINC000274288713 532201627 /nfs/dbraw/zinc/20/16/27/532201627.db2.gz GBJCJUONYPSMJE-ZDUSSCGKSA-N 1 0 375.849 1.564 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)cc(OC)c1OC ZINC000429440319 532228668 /nfs/dbraw/zinc/22/86/68/532228668.db2.gz BXRAVNZEIJKHOG-LBPRGKRZSA-N 1 0 375.491 1.195 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1Cl ZINC000376776807 532228836 /nfs/dbraw/zinc/22/88/36/532228836.db2.gz JKVYNPHRKNHXCE-LLVKDONJSA-N 1 0 394.324 1.670 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000333367317 532231110 /nfs/dbraw/zinc/23/11/10/532231110.db2.gz UNNPMAPDOQMUHH-BXUZGUMPSA-N 1 0 398.305 1.800 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333393539 532233109 /nfs/dbraw/zinc/23/31/09/532233109.db2.gz XVHMHTCVIQFKOP-NWDGAFQWSA-N 1 0 398.305 1.882 20 0 GDADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000274795462 532233710 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C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1ccsc1Br ZINC000287569838 532224551 /nfs/dbraw/zinc/22/45/51/532224551.db2.gz LMUMBLFFBLSFOW-ZYHUDNBSSA-N 1 0 388.331 1.925 20 0 GDADRO COCC[C@@]1(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[NH2+]C1 ZINC000429958556 532240222 /nfs/dbraw/zinc/24/02/22/532240222.db2.gz PRJTUJUAACDRTB-KRWDZBQOSA-N 1 0 398.301 1.910 20 0 GDADRO C[C@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cn1 ZINC000333591009 532241292 /nfs/dbraw/zinc/24/12/92/532241292.db2.gz OMPWTDDEFGJNNH-JSGCOSHPSA-N 1 0 382.306 1.594 20 0 GDADRO CCOC(=O)C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000430030632 532241598 /nfs/dbraw/zinc/24/15/98/532241598.db2.gz WFMUCZXLUWABOJ-GJZGRUSLSA-N 1 0 399.285 1.938 20 0 GDADRO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000287788697 532241680 /nfs/dbraw/zinc/24/16/80/532241680.db2.gz CEIMLGHCDKQZGY-DOMZBBRYSA-N 1 0 396.285 1.709 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c(C)cc1Br ZINC000333651208 532243366 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20 0 GDADRO O=C([C@H]1SCCc2sccc21)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333755228 532248697 /nfs/dbraw/zinc/24/86/97/532248697.db2.gz NWRAFWPBTAMLOV-GUYCJALGSA-N 1 0 379.551 1.891 20 0 GDADRO C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)Oc1ccccc1Br ZINC000287895821 532249587 /nfs/dbraw/zinc/24/95/87/532249587.db2.gz CJAIUSHTUDUOLU-GFCCVEGCSA-N 1 0 386.290 1.353 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000333838195 532251721 /nfs/dbraw/zinc/25/17/21/532251721.db2.gz UQOGKHVKPHVIGV-MELADBBJSA-N 1 0 386.543 1.328 20 0 GDADRO C[C@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)[C@@H]1C[NH3+] ZINC000430597541 532253380 /nfs/dbraw/zinc/25/33/80/532253380.db2.gz QHJCAHJDWOBKLH-SWLSCSKDSA-N 1 0 397.317 1.563 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000429855960 532236597 /nfs/dbraw/zinc/23/65/97/532236597.db2.gz WGKUWOZLUQXPBW-GFCCVEGCSA-N 1 0 385.711 1.693 20 0 GDADRO Cc1ncsc1CCS(=O)(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000333471628 532237443 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GDADRO C[C@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H](C)[NH2+]1 ZINC000430922237 532257549 /nfs/dbraw/zinc/25/75/49/532257549.db2.gz YOMUODOVQLDSIB-RYUDHWBXSA-N 1 0 383.290 1.186 20 0 GDADRO C[NH2+]C[C@H]1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000430935546 532258552 /nfs/dbraw/zinc/25/85/52/532258552.db2.gz QOCHLNGCYPWTLG-CYBMUJFWSA-N 1 0 386.327 1.578 20 0 GDADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377524424 532263215 /nfs/dbraw/zinc/26/32/15/532263215.db2.gz MPHPOOAZANGPOD-DZGCQCFKSA-N 1 0 380.286 1.431 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cncc(I)c1 ZINC000431388333 532264943 /nfs/dbraw/zinc/26/49/43/532264943.db2.gz LTBZVJPMHBCFLD-ZDUSSCGKSA-N 1 0 377.226 1.119 20 0 GDADRO CNC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c1Br ZINC000288111561 532264981 /nfs/dbraw/zinc/26/49/81/532264981.db2.gz SJWCWMMKBUHZCA-SNVBAGLBSA-N 1 0 399.289 1.204 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377580330 532265135 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C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000275337545 532287632 /nfs/dbraw/zinc/28/76/32/532287632.db2.gz OCMDVEQMDXHFPM-UONOGXRCSA-N 1 0 388.555 1.801 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1Cl ZINC000275172138 532272874 /nfs/dbraw/zinc/27/28/74/532272874.db2.gz SYUGGEYMSRUIPW-GXFFZTMASA-N 1 0 375.878 1.250 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377821623 532274382 /nfs/dbraw/zinc/27/43/82/532274382.db2.gz QIAROZRPSJZYAD-UONOGXRCSA-N 1 0 395.301 1.877 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)[C@@H]3CCOC3)nc12 ZINC000288492742 532292967 /nfs/dbraw/zinc/29/29/67/532292967.db2.gz HLFSGSCMRSBITK-CYBMUJFWSA-N 1 0 395.257 1.269 20 0 GDADRO C[NH+](C)C1(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000275419965 532293970 /nfs/dbraw/zinc/29/39/70/532293970.db2.gz HOYBTDUMKJDZOS-UHFFFAOYSA-N 1 0 394.950 1.463 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)CCO1 ZINC000379965171 532294965 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GDADRO Cc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1Br ZINC000275705279 532306791 /nfs/dbraw/zinc/30/67/91/532306791.db2.gz KAKQBJKMPSARTK-OAHLLOKOSA-N 1 0 382.302 1.756 20 0 GDADRO CS(=O)(=O)Nc1cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)ccc1F ZINC000288797514 532307917 /nfs/dbraw/zinc/30/79/17/532307917.db2.gz RITKLNHNZDJXRU-VIFPVBQESA-N 1 0 384.458 1.722 20 0 GDADRO O=C(C[NH2+][C@H](CO)C1CCCC1)Nc1ccccc1S(=O)(=O)C(F)F ZINC000289463842 532325074 /nfs/dbraw/zinc/32/50/74/532325074.db2.gz HENLNLHOGXWMBI-CYBMUJFWSA-N 1 0 376.425 1.762 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@H]1[NH+](C)C ZINC000275863529 532313027 /nfs/dbraw/zinc/31/30/27/532313027.db2.gz ZBYPYPBFZRRDSM-CVEARBPZSA-N 1 0 378.523 1.810 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC000276018584 532317483 /nfs/dbraw/zinc/31/74/83/532317483.db2.gz KCXLXQYCAUDLSM-MRXNPFEDSA-N 1 0 388.511 1.197 20 0 GDADRO CNC(=O)C[NH+]1CCC(NCc2nc3ccccn3c2Br)CC1 ZINC000289316453 532321393 /nfs/dbraw/zinc/32/13/93/532321393.db2.gz SQYBCRYUQQSDAA-UHFFFAOYSA-N 1 0 380.290 1.397 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289353387 532322464 /nfs/dbraw/zinc/32/24/64/532322464.db2.gz YFGWHWVEWQATQH-CYBMUJFWSA-N 1 0 385.295 1.229 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1F ZINC000289526183 532327070 /nfs/dbraw/zinc/32/70/70/532327070.db2.gz LPPJLOGMSBBBIQ-GFCCVEGCSA-N 1 0 395.522 1.594 20 0 GDADRO C[N@H+](C[C@H](O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1CC1 ZINC000289738942 532331334 /nfs/dbraw/zinc/33/13/34/532331334.db2.gz IAPAIAYUGDLDKT-INIZCTEOSA-N 1 0 387.933 1.101 20 0 GDADRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000289885719 532333490 /nfs/dbraw/zinc/33/34/90/532333490.db2.gz MQSZBNYUUSGLNU-ZDUSSCGKSA-N 1 0 380.290 1.840 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000737524551 598853338 /nfs/dbraw/zinc/85/33/38/598853338.db2.gz MZQLCAUKIWBOSW-DYVFJYSZSA-N 1 0 379.472 1.560 20 0 GDADRO CC(C)C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1)[NH+](C)C ZINC000735771364 598911758 /nfs/dbraw/zinc/91/17/58/598911758.db2.gz NVORRIAVXOGMEN-HNNXBMFYSA-N 1 0 397.487 1.341 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000737295977 598949907 /nfs/dbraw/zinc/94/99/07/598949907.db2.gz CYRRASLIARNQCF-UHFFFAOYSA-N 1 0 378.502 1.668 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000737296596 598954450 /nfs/dbraw/zinc/95/44/50/598954450.db2.gz MASRJAMSQUAFPK-HNNXBMFYSA-N 1 0 376.486 1.424 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000737296754 598958388 /nfs/dbraw/zinc/95/83/88/598958388.db2.gz OEVIOAXQYWEXIG-OAHLLOKOSA-N 1 0 376.486 1.424 20 0 GDADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000738435790 598959397 /nfs/dbraw/zinc/95/93/97/598959397.db2.gz ABABRBAVTZDUGA-AWEZNQCLSA-N 1 0 380.456 1.865 20 0 GDADRO CCOCC[N@@H+]1CCN(CCOc2ccc(-c3nn[nH]n3)cc2OC)C[C@H]1C ZINC000736619020 598985536 /nfs/dbraw/zinc/98/55/36/598985536.db2.gz ONYUAUBOYZFOBC-OAHLLOKOSA-N 1 0 390.488 1.297 20 0 GDADRO COC(=O)[C@@](C)(O)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000736887911 599032064 /nfs/dbraw/zinc/03/20/64/599032064.db2.gz JJNCXEALWPRARK-FQEVSTJZSA-N 1 0 399.426 1.932 20 0 GDADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000737631506 599045170 /nfs/dbraw/zinc/04/51/70/599045170.db2.gz FIDUGLTVZJRGAX-UHFFFAOYSA-N 1 0 397.405 1.829 20 0 GDADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000738391074 599055253 /nfs/dbraw/zinc/05/52/53/599055253.db2.gz WATXCPUJXSEZJH-NWDGAFQWSA-N 1 0 383.378 1.316 20 0 GDADRO Cc1nnc(NCC2([NH+]3CCCCC3)CCN(C)CC2)c(-c2nn[nH]n2)c1C ZINC000822516401 599062937 /nfs/dbraw/zinc/06/29/37/599062937.db2.gz YIDFHWSWEOEUFL-UHFFFAOYSA-N 1 0 385.520 1.636 20 0 GDADRO NC(=O)[C@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730784 599100447 /nfs/dbraw/zinc/10/04/47/599100447.db2.gz LJGXHPDDHFYAQI-RTBURBONSA-N 1 0 391.479 1.647 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736295244 599102308 /nfs/dbraw/zinc/10/23/08/599102308.db2.gz ZVMBLIQQNUEPAW-WBMJQRKESA-N 1 0 395.471 1.047 20 0 GDADRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000736230335 599135168 /nfs/dbraw/zinc/13/51/68/599135168.db2.gz SKNHBIHFLKKIEN-DGCLKSJQSA-N 1 0 377.880 1.873 20 0 GDADRO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736227241 599135194 /nfs/dbraw/zinc/13/51/94/599135194.db2.gz KIFPILKCFXOIIF-WCQYABFASA-N 1 0 377.880 1.873 20 0 GDADRO COCCCOC1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736988488 599136534 /nfs/dbraw/zinc/13/65/34/599136534.db2.gz RNLMLZHELIFOPI-INIZCTEOSA-N 1 0 391.472 1.124 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CC[C@@H](CCO)C1 ZINC000735570552 599139760 /nfs/dbraw/zinc/13/97/60/599139760.db2.gz NQNIHGZUBKLIIB-MNOVXSKESA-N 1 0 376.486 1.448 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2=O)cc1-c1nn[nH]n1 ZINC000821805861 599157943 /nfs/dbraw/zinc/15/79/43/599157943.db2.gz WZFRXZMKJSQKCD-HNNXBMFYSA-N 1 0 396.455 1.202 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000736758007 599201679 /nfs/dbraw/zinc/20/16/79/599201679.db2.gz BGAZYAMDPJWUJE-QGZVFWFLSA-N 1 0 388.472 1.205 20 0 GDADRO CC(C)C1CC[NH+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000735749030 599250315 /nfs/dbraw/zinc/25/03/15/599250315.db2.gz KZZKPJGNLQAPDT-UHFFFAOYSA-N 1 0 397.483 1.956 20 0 GDADRO Cc1c(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cccc1-c1nn[nH]n1 ZINC000822084745 607286251 /nfs/dbraw/zinc/28/62/51/607286251.db2.gz ONZRITWBSQTGOU-UHFFFAOYSA-N 1 0 398.515 1.666 20 0 GDADRO C[C@@H](Oc1cccnc1)C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736188223 599261538 /nfs/dbraw/zinc/26/15/38/599261538.db2.gz JKKLJIPZODOLDR-OAHLLOKOSA-N 1 0 395.467 1.619 20 0 GDADRO O=C(c1ncc(-c2nn[nH]n2)cc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823498443 607301658 /nfs/dbraw/zinc/30/16/58/607301658.db2.gz PXJAROAIKQIGTF-GFCCVEGCSA-N 1 0 375.864 1.863 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000737263038 599270384 /nfs/dbraw/zinc/27/03/84/599270384.db2.gz JFVRTUZQJLDDSG-UHFFFAOYSA-N 1 0 398.446 1.073 20 0 GDADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736010710 599274944 /nfs/dbraw/zinc/27/49/44/599274944.db2.gz VXHWEUFYBNRVKB-INIZCTEOSA-N 1 0 378.484 1.562 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820703637 607319212 /nfs/dbraw/zinc/31/92/12/607319212.db2.gz JABHKJLAZHFHJK-OAHLLOKOSA-N 1 0 399.499 1.966 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820709640 607335521 /nfs/dbraw/zinc/33/55/21/607335521.db2.gz KNIMLIZQUMXXRL-NEPJUHHUSA-N 1 0 389.435 1.181 20 0 GDADRO CC(C)CCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735819675 598251621 /nfs/dbraw/zinc/25/16/21/598251621.db2.gz JDPIAQODHFESKW-UHFFFAOYSA-N 1 0 380.518 1.606 20 0 GDADRO Cc1ccc([C@@H](C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)N2CCCC2)o1 ZINC000737320336 598275099 /nfs/dbraw/zinc/27/50/99/598275099.db2.gz OHMKZUMAIOUEDZ-MRXNPFEDSA-N 1 0 393.455 1.738 20 0 GDADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000735659733 598277131 /nfs/dbraw/zinc/27/71/31/598277131.db2.gz DUUHNKGVAYKCOI-AWEZNQCLSA-N 1 0 390.492 1.392 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736236557 598284983 /nfs/dbraw/zinc/28/49/83/598284983.db2.gz LBPWEKJCDGHURH-KFWWJZLASA-N 1 0 384.488 1.172 20 0 GDADRO C[C@H](CNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+]1CCCCC1 ZINC000736017447 598293870 /nfs/dbraw/zinc/29/38/70/598293870.db2.gz NPDYTQMZHVYPDS-MRXNPFEDSA-N 1 0 398.515 1.573 20 0 GDADRO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736569799 598303807 /nfs/dbraw/zinc/30/38/07/598303807.db2.gz IXIQIXBYXUNEKO-OAHLLOKOSA-N 1 0 384.488 1.183 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736858802 598357770 /nfs/dbraw/zinc/35/77/70/598357770.db2.gz BQTIDRFKXBDIPH-HNNXBMFYSA-N 1 0 382.424 1.863 20 0 GDADRO CN(C)c1cc2c(nn1)CC[N@H+](CCC(=O)Nc1cccc(-c3nn[nH]n3)c1)C2 ZINC000736772253 598364651 /nfs/dbraw/zinc/36/46/51/598364651.db2.gz DCJNKLFSCCMMMY-UHFFFAOYSA-N 1 0 393.455 1.110 20 0 GDADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C1CCN(CCn2cccn2)CC1 ZINC000736801922 598366720 /nfs/dbraw/zinc/36/67/20/598366720.db2.gz MWOKBHFIANRRJC-UHFFFAOYSA-N 1 0 396.499 1.538 20 0 GDADRO Cn1cc(CN2CCC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000737600966 598367370 /nfs/dbraw/zinc/36/73/70/598367370.db2.gz CLTNAZXCTVYQQK-UHFFFAOYSA-N 1 0 396.499 1.577 20 0 GDADRO O[C@H](C[NH2+]C[C@H]1COc2ccccc2C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738380313 598373348 /nfs/dbraw/zinc/37/33/48/598373348.db2.gz FQEGZCRXQFEHOH-WMLDXEAASA-N 1 0 381.436 1.447 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCN(c2ncnc3c2CCC3)CC1 ZINC000738453797 598378451 /nfs/dbraw/zinc/37/84/51/598378451.db2.gz ZOTTYVNEDYMWAZ-UHFFFAOYSA-N 1 0 376.468 1.858 20 0 GDADRO NC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737749672 598422212 /nfs/dbraw/zinc/42/22/12/598422212.db2.gz ZFYWSUBFRVVGKE-NSHDSACASA-N 1 0 377.474 1.234 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000736768171 598457437 /nfs/dbraw/zinc/45/74/37/598457437.db2.gz AEDKAAGTAVQRAB-UHFFFAOYSA-N 1 0 383.431 1.909 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738027348 598460854 /nfs/dbraw/zinc/46/08/54/598460854.db2.gz ZYEIXTJZLNTTCL-UHFFFAOYSA-N 1 0 381.415 1.795 20 0 GDADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736961980 598472042 /nfs/dbraw/zinc/47/20/42/598472042.db2.gz NBCLDDZUIZCBMD-UHFFFAOYSA-N 1 0 394.501 1.034 20 0 GDADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738355220 598472642 /nfs/dbraw/zinc/47/26/42/598472642.db2.gz OIVHCUVJPUKJQK-HNNXBMFYSA-N 1 0 376.486 1.506 20 0 GDADRO CC[NH+]1CCC(NC(=O)NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000736571381 598478233 /nfs/dbraw/zinc/47/82/33/598478233.db2.gz PSTYDRAXWVYOQF-UHFFFAOYSA-N 1 0 399.503 1.014 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000737032499 598510614 /nfs/dbraw/zinc/51/06/14/598510614.db2.gz HPIXOGNQPGDIIG-HNNXBMFYSA-N 1 0 388.472 1.587 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000736855923 598514304 /nfs/dbraw/zinc/51/43/04/598514304.db2.gz JCWAYWPBXGQXRU-JTQLQIEISA-N 1 0 381.387 1.931 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000736855926 598514490 /nfs/dbraw/zinc/51/44/90/598514490.db2.gz JCWAYWPBXGQXRU-SNVBAGLBSA-N 1 0 381.387 1.931 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)OCCO2 ZINC000736133159 598518313 /nfs/dbraw/zinc/51/83/13/598518313.db2.gz FSPSHACFLJAVNA-NEPJUHHUSA-N 1 0 382.428 1.227 20 0 GDADRO c1coc([C@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N2CCCC2)c1 ZINC000738447073 598518398 /nfs/dbraw/zinc/51/83/98/598518398.db2.gz BHOFRFNJFJEEPP-ZFWWWQNUSA-N 1 0 383.460 1.125 20 0 GDADRO CC(C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCC(C)CC1 ZINC000736277875 598521195 /nfs/dbraw/zinc/52/11/95/598521195.db2.gz NLNDIFWSKUQOJL-RDJZCZTQSA-N 1 0 387.536 1.451 20 0 GDADRO Brc1csc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735375009 598522386 /nfs/dbraw/zinc/52/23/86/598522386.db2.gz HUEVWINFKOSBRP-MRVPVSSYSA-N 1 0 395.290 1.719 20 0 GDADRO C[C@H](COc1ccc(F)cc1F)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736036617 598524544 /nfs/dbraw/zinc/52/45/44/598524544.db2.gz FMPGKMLNORMKGT-MNOVXSKESA-N 1 0 390.398 1.440 20 0 GDADRO CC[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)OCCO2 ZINC000736371215 598524553 /nfs/dbraw/zinc/52/45/53/598524553.db2.gz POZAAFYWFZMWDR-WFASDCNBSA-N 1 0 396.455 1.617 20 0 GDADRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cn1 ZINC000736531713 598524562 /nfs/dbraw/zinc/52/45/62/598524562.db2.gz IKWFBXOJANUTFP-AWEZNQCLSA-N 1 0 382.476 1.136 20 0 GDADRO Clc1cccc2c1OCC[C@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737573222 598525270 /nfs/dbraw/zinc/52/52/70/598525270.db2.gz CGFRGOZXWASNFE-IINYFYTJSA-N 1 0 386.847 1.872 20 0 GDADRO c1cnn(Cc2cccc(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c2)c1 ZINC000738409428 598525753 /nfs/dbraw/zinc/52/57/53/598525753.db2.gz AWHNETKYEKDIFW-INIZCTEOSA-N 1 0 390.455 1.140 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCCc1nc3c(s1)CCCC3)C2 ZINC000738449634 598530499 /nfs/dbraw/zinc/53/04/99/598530499.db2.gz LGLOVWDUKGIXSC-GFCCVEGCSA-N 1 0 399.528 1.663 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000737025641 598542244 /nfs/dbraw/zinc/54/22/44/598542244.db2.gz YJKOUAATPNQKBH-UHFFFAOYSA-N 1 0 396.451 1.997 20 0 GDADRO COC(=O)[C@@H](C)C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C1CC1 ZINC000736894971 598563739 /nfs/dbraw/zinc/56/37/39/598563739.db2.gz WUCCJUKAVQTPHG-JTQLQIEISA-N 1 0 378.458 1.530 20 0 GDADRO CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736479895 598579639 /nfs/dbraw/zinc/57/96/39/598579639.db2.gz LSNUJKCIDUGXHX-GOSISDBHSA-N 1 0 383.500 1.826 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000735999931 598594386 /nfs/dbraw/zinc/59/43/86/598594386.db2.gz DBMLZKZAYPVDLQ-QAPCUYQASA-N 1 0 383.500 1.826 20 0 GDADRO CN(C(=O)Nc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736749693 598596228 /nfs/dbraw/zinc/59/62/28/598596228.db2.gz QIUKQRKHWGVMAN-UHFFFAOYSA-N 1 0 395.471 1.692 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000738161404 598639261 /nfs/dbraw/zinc/63/92/61/598639261.db2.gz DGOWGHUZFBFICE-ZDUSSCGKSA-N 1 0 387.419 1.031 20 0 GDADRO Cc1nc(C[C@H]2CCC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737472581 598685610 /nfs/dbraw/zinc/68/56/10/598685610.db2.gz VDDJLCBGMHSPTN-CQSZACIVSA-N 1 0 396.455 1.841 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736231819 598689807 /nfs/dbraw/zinc/68/98/07/598689807.db2.gz YAWHKMDXCOYHNU-BETUJISGSA-N 1 0 396.492 1.652 20 0 GDADRO CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736870450 598760582 /nfs/dbraw/zinc/76/05/82/598760582.db2.gz HZTGSIIZGQBQOI-CYBMUJFWSA-N 1 0 377.836 1.059 20 0 GDADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)CC(=O)NCc1cccs1 ZINC000736797464 598794935 /nfs/dbraw/zinc/79/49/35/598794935.db2.gz IXKJAGMOVZRFBD-UHFFFAOYSA-N 1 0 386.481 1.945 20 0 GDADRO C[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)CC(=O)NCc1cccs1 ZINC000736791322 598795090 /nfs/dbraw/zinc/79/50/90/598795090.db2.gz DWSJBFSVLRMKOR-UHFFFAOYSA-N 1 0 399.480 1.505 20 0 GDADRO C[N@H+](CCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)Cc1ccccc1 ZINC000736798800 598797447 /nfs/dbraw/zinc/79/74/47/598797447.db2.gz HEKUUJYGBBOTNY-UHFFFAOYSA-N 1 0 378.484 1.516 20 0 GDADRO Cc1csc(C2([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)n1 ZINC000737455542 598799016 /nfs/dbraw/zinc/79/90/16/598799016.db2.gz RYMLAPKJHWRPCV-LBPRGKRZSA-N 1 0 385.501 1.929 20 0 GDADRO C[NH+](C)CC1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736759518 598809799 /nfs/dbraw/zinc/80/97/99/598809799.db2.gz SYYVJOXYCLYOGB-UHFFFAOYSA-N 1 0 377.880 1.732 20 0 GDADRO CC(=O)N1CCCN([C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)CC1 ZINC000735467035 599298346 /nfs/dbraw/zinc/29/83/46/599298346.db2.gz YCPCABAPNMZBLI-DNVCBOLYSA-N 1 0 383.500 1.241 20 0 GDADRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736407385 599300560 /nfs/dbraw/zinc/30/05/60/599300560.db2.gz GMMOSADGXDPVQI-XNRPHZJLSA-N 1 0 385.472 1.430 20 0 GDADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000820657416 599346275 /nfs/dbraw/zinc/34/62/75/599346275.db2.gz KPDKVHCNISJOAM-QWRGUYRKSA-N 1 0 384.893 1.623 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000821252668 599347162 /nfs/dbraw/zinc/34/71/62/599347162.db2.gz AQOMOIVOUOFLAB-SMDDNHRTSA-N 1 0 382.465 1.357 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821625285 599362781 /nfs/dbraw/zinc/36/27/81/599362781.db2.gz KEVOOSOSVQMOAE-MRXNPFEDSA-N 1 0 378.502 1.503 20 0 GDADRO CCNC(=O)COc1cccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000821284569 599408972 /nfs/dbraw/zinc/40/89/72/599408972.db2.gz FQDLBSPFRFEENO-UHFFFAOYSA-N 1 0 396.451 1.680 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C)nn3)C2)cc1-c1nn[nH]n1 ZINC000821805300 599431091 /nfs/dbraw/zinc/43/10/91/599431091.db2.gz SSAILFSISCLDMT-OAHLLOKOSA-N 1 0 380.456 1.732 20 0 GDADRO O=C(CCN1CC[NH+](CC2CCOCC2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737843556 599448864 /nfs/dbraw/zinc/44/88/64/599448864.db2.gz KJIWLWQRBZDFJO-UHFFFAOYSA-N 1 0 399.499 1.240 20 0 GDADRO CO[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1 ZINC000821677073 599449064 /nfs/dbraw/zinc/44/90/64/599449064.db2.gz NTFJPOZXIZMSOZ-NHYWBVRUSA-N 1 0 388.863 1.736 20 0 GDADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000738117446 599454926 /nfs/dbraw/zinc/45/49/26/599454926.db2.gz SSBUNFPAQSJOLT-OAHLLOKOSA-N 1 0 385.472 1.167 20 0 GDADRO COCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000821691303 599467322 /nfs/dbraw/zinc/46/73/22/599467322.db2.gz PKUMIHFSTWEKGK-UHFFFAOYSA-N 1 0 375.383 1.462 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000738413011 599485782 /nfs/dbraw/zinc/48/57/82/599485782.db2.gz LHYJFAAHFJPPIT-UHFFFAOYSA-N 1 0 375.440 1.799 20 0 GDADRO Cc1cccc(C(=O)NCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000737386584 599486430 /nfs/dbraw/zinc/48/64/30/599486430.db2.gz XRXOFNXNBMHLIE-UHFFFAOYSA-N 1 0 376.424 1.342 20 0 GDADRO C[C@@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc(NC(N)=O)cc1 ZINC000736132799 599489689 /nfs/dbraw/zinc/48/96/89/599489689.db2.gz XGYFYGHPZXBODJ-LLVKDONJSA-N 1 0 377.412 1.856 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)CC1 ZINC000736479881 599511030 /nfs/dbraw/zinc/51/10/30/599511030.db2.gz 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OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-c2nn[nH]n2)cc1F ZINC000823715258 607484845 /nfs/dbraw/zinc/48/48/45/607484845.db2.gz SIWIXHYIRVAHAJ-AZUAARDMSA-N 1 0 396.470 1.978 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820093501 607493978 /nfs/dbraw/zinc/49/39/78/607493978.db2.gz XYELPEMXKUDZMZ-AWEZNQCLSA-N 1 0 378.502 1.513 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820093505 607494130 /nfs/dbraw/zinc/49/41/30/607494130.db2.gz XYELPEMXKUDZMZ-CQSZACIVSA-N 1 0 378.502 1.513 20 0 GDADRO COc1ccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1-c1nn[nH]n1 ZINC000826194471 607496826 /nfs/dbraw/zinc/49/68/26/607496826.db2.gz MQYVBMBGXOWEFI-UHFFFAOYSA-N 1 0 380.456 1.766 20 0 GDADRO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824420007 607498342 /nfs/dbraw/zinc/49/83/42/607498342.db2.gz DOWYEILEAWICIV-QGZVFWFLSA-N 1 0 393.495 1.985 20 0 GDADRO COC(=O)[C@H]1CC12CC[NH+](CCOCC[NH+]1CCC3(C[C@H]3C(=O)[O-])CC1)CC2 ZINC000831100697 601381339 /nfs/dbraw/zinc/38/13/39/601381339.db2.gz PJERXJNOFTWEMD-DLBZAZTESA-N 1 0 394.512 1.465 20 0 GDADRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)n1 ZINC000826299077 607517165 /nfs/dbraw/zinc/51/71/65/607517165.db2.gz QGIBHXLSWPPJFK-HNNXBMFYSA-N 1 0 378.440 1.816 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826452084 607517924 /nfs/dbraw/zinc/51/79/24/607517924.db2.gz HIVWZROEWOBQBR-WMLDXEAASA-N 1 0 395.467 1.281 20 0 GDADRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826442024 607518643 /nfs/dbraw/zinc/51/86/43/607518643.db2.gz GFZVEMAGEDNJKI-UHFFFAOYSA-N 1 0 395.442 1.929 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000826183037 607522883 /nfs/dbraw/zinc/52/28/83/607522883.db2.gz BROHTBJBHMPLPN-CALCHBBNSA-N 1 0 399.543 1.866 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cccc2nc[nH]c21 ZINC000825865816 607525961 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394.476 1.645 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1-c1nn[nH]n1 ZINC000826301758 607607153 /nfs/dbraw/zinc/60/71/53/607607153.db2.gz OYEQQKTVQAYEBU-HNNXBMFYSA-N 1 0 390.513 1.814 20 0 GDADRO Cc1cccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1-c1nn[nH]n1 ZINC000826300707 607650913 /nfs/dbraw/zinc/65/09/13/607650913.db2.gz FEWJRNZPRZTKCK-CQSZACIVSA-N 1 0 378.502 1.670 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)C1 ZINC000825413251 607654551 /nfs/dbraw/zinc/65/45/51/607654551.db2.gz ZNUZXYUHIHWSGA-AWEZNQCLSA-N 1 0 378.502 1.528 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000825856652 607662711 /nfs/dbraw/zinc/66/27/11/607662711.db2.gz ZUKLNKPHHHDLIW-MNOVXSKESA-N 1 0 384.893 1.671 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)c2c[nH+]ccc21 ZINC000826037786 607667883 /nfs/dbraw/zinc/66/78/83/607667883.db2.gz DVENIXMSEZTORE-UHFFFAOYSA-N 1 0 375.389 1.046 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000824977652 607670661 /nfs/dbraw/zinc/67/06/61/607670661.db2.gz RYBIBWWOFFBGMY-BXKDBHETSA-N 1 0 382.877 1.281 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000826033911 607673398 /nfs/dbraw/zinc/67/33/98/607673398.db2.gz KNIXMRYMKVBXBC-RISCZKNCSA-N 1 0 380.449 1.111 20 0 GDADRO O=C([O-])C[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000833211830 604507597 /nfs/dbraw/zinc/50/75/97/604507597.db2.gz WLMAAVUFUSSZKT-QGZVFWFLSA-N 1 0 375.473 1.242 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825866301 607710684 /nfs/dbraw/zinc/71/06/84/607710684.db2.gz VASQVUASJZOSHA-UHFFFAOYSA-N 1 0 375.383 1.677 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)cc2)C1 ZINC000826390176 607719384 /nfs/dbraw/zinc/71/93/84/607719384.db2.gz RWLYUNKJZHHTMB-CYBMUJFWSA-N 1 0 394.439 1.144 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000833627655 605053917 /nfs/dbraw/zinc/05/39/17/605053917.db2.gz YHYDQJIPDVHZQZ-RHSMWYFYSA-N 1 0 380.464 1.619 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000833626276 605135439 /nfs/dbraw/zinc/13/54/39/605135439.db2.gz PNRHUDGXVUEMOF-DLBZAZTESA-N 1 0 392.500 1.997 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000833626278 605135632 /nfs/dbraw/zinc/13/56/32/605135632.db2.gz PNRHUDGXVUEMOF-IAGOWNOFSA-N 1 0 392.500 1.997 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407281 607748689 /nfs/dbraw/zinc/74/86/89/607748689.db2.gz HPNHXFIRGJXAIF-CQSZACIVSA-N 1 0 381.444 1.199 20 0 GDADRO O=C(NCC[NH+]1CCC1)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826437398 607765953 /nfs/dbraw/zinc/76/59/53/607765953.db2.gz JROALBHMCWWSLB-UHFFFAOYSA-N 1 0 378.436 1.881 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=O)NCC[NH+](CC)CC)cc1-c1nn[nH]n1 ZINC000825539915 607767262 /nfs/dbraw/zinc/76/72/62/607767262.db2.gz RRVKIQZUXPGKQR-UHFFFAOYSA-N 1 0 390.448 1.898 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccc(Cl)c(Cl)c1 ZINC000530031748 649962958 /nfs/dbraw/zinc/96/29/58/649962958.db2.gz MJZUDFXIWNMLJT-JTQLQIEISA-N 1 0 386.239 1.810 20 0 GDADRO O=C1CN(C[NH+]2C[C@@H]3CCCC[C@H]3C2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000823536102 606019152 /nfs/dbraw/zinc/01/91/52/606019152.db2.gz RQVYMQCRNXBEFF-IRXDYDNUSA-N 1 0 395.467 1.710 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821088861 606092607 /nfs/dbraw/zinc/09/26/07/606092607.db2.gz YSPUDXHDKLHBNE-CQSZACIVSA-N 1 0 375.477 1.679 20 0 GDADRO Cc1oc(NC(=O)CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c(-c2nn[nH]n2)c1C ZINC000822547610 606097554 /nfs/dbraw/zinc/09/75/54/606097554.db2.gz ABWBQWLITOXFFN-OAHLLOKOSA-N 1 0 387.488 1.679 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000822334344 606102526 /nfs/dbraw/zinc/10/25/26/606102526.db2.gz CAMZWRPJUFJIAA-HNNXBMFYSA-N 1 0 379.468 1.882 20 0 GDADRO Cn1cc(C[C@@H]2CC[N@H+](CCC(=O)Nc3sccc3-c3nn[nH]n3)C2)cn1 ZINC000822674622 606113786 /nfs/dbraw/zinc/11/37/86/606113786.db2.gz YAWSRAXQYCORIJ-LBPRGKRZSA-N 1 0 386.485 1.555 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821181443 606115939 /nfs/dbraw/zinc/11/59/39/606115939.db2.gz MZHXURWRIZZYDZ-ZDUSSCGKSA-N 1 0 377.518 1.900 20 0 GDADRO CN(CC[NH+](C)C)C(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000821584699 606154266 /nfs/dbraw/zinc/15/42/66/606154266.db2.gz OYBQHJKFZNOIDB-UHFFFAOYSA-N 1 0 386.485 1.939 20 0 GDADRO COc1cc(C[C@H](CO)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc(OC)c1 ZINC000821711790 606166087 /nfs/dbraw/zinc/16/60/87/606166087.db2.gz AJRIEVUWHSOCBO-INIZCTEOSA-N 1 0 383.452 1.825 20 0 GDADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 ZINC000822356699 606166916 /nfs/dbraw/zinc/16/69/16/606166916.db2.gz XXLKNHXRKGOTLM-UHFFFAOYSA-N 1 0 395.471 1.695 20 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COc1ccc([C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[NH+]2CCCC2)cc1 ZINC000821777454 606245191 /nfs/dbraw/zinc/24/51/91/606245191.db2.gz FPUASBNWKJKSHK-QGZVFWFLSA-N 1 0 381.440 1.770 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000821587020 606247669 /nfs/dbraw/zinc/24/76/69/606247669.db2.gz CHLKQLKYWTVAFX-UHFFFAOYSA-N 1 0 383.456 1.118 20 0 GDADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823249519 606271734 /nfs/dbraw/zinc/27/17/34/606271734.db2.gz BTYGXGYYTMGAGH-UHFFFAOYSA-N 1 0 381.440 1.082 20 0 GDADRO O=C1[C@@H](N2CCC[C@@H]([NH+]3CCCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503335 606324034 /nfs/dbraw/zinc/32/40/34/606324034.db2.gz CZYRLZAFHQQDFO-HIFRSBDPSA-N 1 0 387.513 1.594 20 0 GDADRO C[N@H+](CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000821600227 606387054 /nfs/dbraw/zinc/38/70/54/606387054.db2.gz CQRZXNKKKFPUNB-UHFFFAOYSA-N 1 0 386.481 1.667 20 0 GDADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000819914221 606397763 /nfs/dbraw/zinc/39/77/63/606397763.db2.gz OOSGSJHUTKXIIH-UHFFFAOYSA-N 1 0 389.435 1.323 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000823557349 606421031 /nfs/dbraw/zinc/42/10/31/606421031.db2.gz KITFFXXFSYMBCX-UHFFFAOYSA-N 1 0 392.457 1.282 20 0 GDADRO COc1cc(C[C@H](CO)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc(OC)c1 ZINC000821712644 606426243 /nfs/dbraw/zinc/42/62/43/606426243.db2.gz KIJBIRKQIJWOMY-ZDUSSCGKSA-N 1 0 389.481 1.886 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000821688250 606451984 /nfs/dbraw/zinc/45/19/84/606451984.db2.gz DKZVSUJNZXFQSV-STQMWFEESA-N 1 0 389.504 1.848 20 0 GDADRO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC000821854705 606511236 /nfs/dbraw/zinc/51/12/36/606511236.db2.gz SFYPVPQVYUYYCG-UHFFFAOYSA-N 1 0 381.440 1.474 20 0 GDADRO CO[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000821697537 606518895 /nfs/dbraw/zinc/51/88/95/606518895.db2.gz FBSCJDRHEASIHF-NSHDSACASA-N 1 0 376.486 1.856 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000821581025 606584939 /nfs/dbraw/zinc/58/49/39/606584939.db2.gz AXVDYHCTZKXJFI-ZFWWWQNUSA-N 1 0 395.471 1.237 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000821581020 606603561 /nfs/dbraw/zinc/60/35/61/606603561.db2.gz AXJWDYFXRQRVGC-HZPDHXFCSA-N 1 0 398.515 1.571 20 0 GDADRO CC(C)[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nc2ccccc2[nH]1 ZINC000820026619 606639115 /nfs/dbraw/zinc/63/91/15/606639115.db2.gz KVHURUUCHGZKMH-BLLLJJGKSA-N 1 0 392.471 1.968 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1csc(C=O)c1 ZINC000821586032 606658885 /nfs/dbraw/zinc/65/88/85/606658885.db2.gz GKVGDGQYIMUNJM-UHFFFAOYSA-N 1 0 384.465 1.945 20 0 GDADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823154937 606685982 /nfs/dbraw/zinc/68/59/82/606685982.db2.gz MOCZIHMPJDVPHZ-NSHDSACASA-N 1 0 392.410 1.376 20 0 GDADRO CC[N@H+]1C[C@H](NC(=O)CSc2nc(C)c(C)c(C)c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821239318 606692457 /nfs/dbraw/zinc/69/24/57/606692457.db2.gz APBPMHRGNCMYAU-HZMBPMFUSA-N 1 0 389.529 1.735 20 0 GDADRO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCCn1c2ccccc2[nH]c1=O ZINC000821600353 606699918 /nfs/dbraw/zinc/69/99/18/606699918.db2.gz IZBZGCFFITWBBK-UHFFFAOYSA-N 1 0 396.459 1.182 20 0 GDADRO CC(C)[C@H]1CC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000820038811 606713532 /nfs/dbraw/zinc/71/35/32/606713532.db2.gz SGLVFNABMJGSLA-AWEZNQCLSA-N 1 0 380.456 1.969 20 0 GDADRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)cc(OC)c1 ZINC000821716698 606727999 /nfs/dbraw/zinc/72/79/99/606727999.db2.gz FGLIQGTUBNMCDJ-HNNXBMFYSA-N 1 0 381.440 1.965 20 0 GDADRO CC[C@H]1CC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000820972967 606775374 /nfs/dbraw/zinc/77/53/74/606775374.db2.gz SHPZMADWFLEDTL-ROUUACIJSA-N 1 0 384.484 1.859 20 0 GDADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000820092474 606810528 /nfs/dbraw/zinc/81/05/28/606810528.db2.gz MIRQHEGDUMNINE-CYBMUJFWSA-N 1 0 375.452 1.783 20 0 GDADRO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000823166798 606834099 /nfs/dbraw/zinc/83/40/99/606834099.db2.gz PTMZOAUMGFWIJV-SFHVURJKSA-N 1 0 378.436 1.016 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@H]1[NH+](C)C ZINC000820744368 606834321 /nfs/dbraw/zinc/83/43/21/606834321.db2.gz YHSMGCUKSJKAGE-BXKDBHETSA-N 1 0 381.387 1.882 20 0 GDADRO Cc1ccc(N2CCC[C@H]([N@H+](C)C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC000822241058 606859705 /nfs/dbraw/zinc/85/97/05/606859705.db2.gz JTHAUTKVTHGXTR-ZWKOTPCHSA-N 1 0 394.483 1.599 20 0 GDADRO CCN1CCN(C2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000821267456 606860291 /nfs/dbraw/zinc/86/02/91/606860291.db2.gz OOYJNDWIHDHIFE-QGZVFWFLSA-N 1 0 385.472 1.122 20 0 GDADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000823797789 606877973 /nfs/dbraw/zinc/87/79/73/606877973.db2.gz RULLRHUIYXHKBH-QFBILLFUSA-N 1 0 379.468 1.892 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530235952 649968382 /nfs/dbraw/zinc/96/83/82/649968382.db2.gz JWVRXCHHNMOSEC-RBSFLKMASA-N 1 0 386.539 1.489 20 0 GDADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)nc2)CC1 ZINC000821583300 606936933 /nfs/dbraw/zinc/93/69/33/606936933.db2.gz QLRFVDYHXDJDNY-UHFFFAOYSA-N 1 0 381.444 1.373 20 0 GDADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820564094 606959000 /nfs/dbraw/zinc/95/90/00/606959000.db2.gz YFGFJGDXVUYYOK-LLVKDONJSA-N 1 0 390.444 1.846 20 0 GDADRO [NH2+]=C(NOCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1COc2ccccc2O1 ZINC000822846250 606982818 /nfs/dbraw/zinc/98/28/18/606982818.db2.gz RNWPRNOLWYDMNQ-MRXNPFEDSA-N 1 0 382.380 1.584 20 0 GDADRO C[N@H+](CCC(=O)OC(C)(C)C)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821599063 606984011 /nfs/dbraw/zinc/98/40/11/606984011.db2.gz DQNZEDWCOOMCLF-AWEZNQCLSA-N 1 0 377.445 1.270 20 0 GDADRO O[C@H](C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823696683 606986251 /nfs/dbraw/zinc/98/62/51/606986251.db2.gz GKACDLOIUOJLBP-SOLBZPMBSA-N 1 0 399.451 1.788 20 0 GDADRO COc1cccc(OCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000821877136 607038383 /nfs/dbraw/zinc/03/83/83/607038383.db2.gz CEONUIVJBFBJMO-UHFFFAOYSA-N 1 0 381.440 1.471 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN3c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625359 607071786 /nfs/dbraw/zinc/07/17/86/607071786.db2.gz LVGATAUJCNZFKV-BHIYHBOVSA-N 1 0 395.511 1.778 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000821625567 607105446 /nfs/dbraw/zinc/10/54/46/607105446.db2.gz QTJGSHXRBQULRD-BPQIPLTHSA-N 1 0 381.484 1.388 20 0 GDADRO O[C@@H]1CCC[C@H]1[NH+]1CCC(NC(=S)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000823697827 607121630 /nfs/dbraw/zinc/12/16/30/607121630.db2.gz NCJICKODGJUCHN-HZPDHXFCSA-N 1 0 387.513 1.531 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000823246489 607151546 /nfs/dbraw/zinc/15/15/46/607151546.db2.gz RHLAFVTWLXDSDV-IAGOWNOFSA-N 1 0 385.472 1.044 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000821701953 607174673 /nfs/dbraw/zinc/17/46/73/607174673.db2.gz BLUDJNMFBVCUPF-INIZCTEOSA-N 1 0 382.424 1.802 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000822928576 607177709 /nfs/dbraw/zinc/17/77/09/607177709.db2.gz KMOWMCXAICMCIB-COQIJWMOSA-N 1 0 396.495 1.764 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CCCC1 ZINC000821581538 607179190 /nfs/dbraw/zinc/17/91/90/607179190.db2.gz ODBDANJCACZDAG-UHFFFAOYSA-N 1 0 391.863 1.449 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C[N@@H+]1C1CC1 ZINC000820659063 607183181 /nfs/dbraw/zinc/18/31/81/607183181.db2.gz VWTOEFUTBYVFIU-GXSJLCMTSA-N 1 0 389.847 1.200 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl 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COc1cc(-c2nn[nH]n2)ccc1OCCN1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000826175636 608088383 /nfs/dbraw/zinc/08/83/83/608088383.db2.gz LNZIXSFYSGOPKG-CZUORRHYSA-N 1 0 378.502 1.232 20 0 GDADRO CS[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@H]1N(C)C ZINC000826227264 608088741 /nfs/dbraw/zinc/08/87/41/608088741.db2.gz ONIRHORJJBENHD-HUUCEWRRSA-N 1 0 375.502 1.173 20 0 GDADRO O=C1CN(C[N@@H+]2CC[C@H](C3CC3)C2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826481465 608110654 /nfs/dbraw/zinc/11/06/54/608110654.db2.gz VTCZKAFDMJBMLW-INIZCTEOSA-N 1 0 381.440 1.320 20 0 GDADRO C[C@H]1OCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825020194 608114655 /nfs/dbraw/zinc/11/46/55/608114655.db2.gz JFQASEUNLFCNRB-RHSMWYFYSA-N 1 0 385.472 1.261 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824978204 608121406 /nfs/dbraw/zinc/12/14/06/608121406.db2.gz VAYHCHDVUYCNKY-STQMWFEESA-N 1 0 375.502 1.026 20 0 GDADRO CC1([C@H]2CCC[N@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)OCCO1 ZINC000824816796 608131296 /nfs/dbraw/zinc/13/12/96/608131296.db2.gz IBEAJBYJUGXVPE-HNNXBMFYSA-N 1 0 397.439 1.892 20 0 GDADRO CC1([C@H]2CCC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)OCCO1 ZINC000824819114 608131330 /nfs/dbraw/zinc/13/13/30/608131330.db2.gz XUJBPRKFQNDJGU-HNNXBMFYSA-N 1 0 386.456 1.670 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824104638 608135217 /nfs/dbraw/zinc/13/52/17/608135217.db2.gz WAMWNQBHRUNOFO-CYBMUJFWSA-N 1 0 398.471 1.861 20 0 GDADRO C[NH+](C)C1CN(C(=O)c2cccc(COc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825856364 608209340 /nfs/dbraw/zinc/20/93/40/608209340.db2.gz UGLXPHSZCVRVTR-UHFFFAOYSA-N 1 0 378.436 1.832 20 0 GDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000824860450 608210308 /nfs/dbraw/zinc/21/03/08/608210308.db2.gz UQNWTGIIHBHILI-ZIAGYGMSSA-N 1 0 395.471 1.015 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826060922 608239013 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382.465 1.252 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825855517 608337845 /nfs/dbraw/zinc/33/78/45/608337845.db2.gz GTVWNLBVQQICTO-UONOGXRCSA-N 1 0 382.465 1.298 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000826168870 608354619 /nfs/dbraw/zinc/35/46/19/608354619.db2.gz AXZGLEODQQLPTK-OAHLLOKOSA-N 1 0 394.501 1.169 20 0 GDADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1 ZINC000824877180 608373734 /nfs/dbraw/zinc/37/37/34/608373734.db2.gz WEGYLROCZAMRLK-UPJWGTAASA-N 1 0 393.517 1.292 20 0 GDADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826360175 608376279 /nfs/dbraw/zinc/37/62/79/608376279.db2.gz ZVTQFPCHKOTOSR-IRXDYDNUSA-N 1 0 396.455 1.127 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C[C@H]1C ZINC000824954923 608377114 /nfs/dbraw/zinc/37/71/14/608377114.db2.gz MBXNKPILRNXYED-ZIAGYGMSSA-N 1 0 380.456 1.969 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000826045446 608386905 /nfs/dbraw/zinc/38/69/05/608386905.db2.gz WEDNLXYYWXSQLL-UHFFFAOYSA-N 1 0 392.467 1.286 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826157875 608418457 /nfs/dbraw/zinc/41/84/57/608418457.db2.gz PIKGMRMZTIZVIC-UHFFFAOYSA-N 1 0 399.499 1.634 20 0 GDADRO c1ccc([C@H](CN2CCOCC2)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826520095 608430029 /nfs/dbraw/zinc/43/00/29/608430029.db2.gz ALKWZHCJFJFWSU-FQEVSTJZSA-N 1 0 394.479 1.909 20 0 GDADRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC1CCS(=O)(=O)CC1 ZINC000826158974 608449644 /nfs/dbraw/zinc/44/96/44/608449644.db2.gz KWNKXKJPNWUGOT-UHFFFAOYSA-N 1 0 379.486 1.140 20 0 GDADRO COCc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826164682 608482273 /nfs/dbraw/zinc/48/22/73/608482273.db2.gz KTNAWTALBJBDJN-CQSZACIVSA-N 1 0 380.452 1.980 20 0 GDADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824000045 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CCc1ncc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)s1 ZINC000547320336 650495097 /nfs/dbraw/zinc/49/50/97/650495097.db2.gz BBLLCAGJSAMVMV-UHFFFAOYSA-N 1 0 382.511 1.798 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncc(I)cn2)C1 ZINC000547328798 650495431 /nfs/dbraw/zinc/49/54/31/650495431.db2.gz ZVCFHNALOAHHMK-GFCCVEGCSA-N 1 0 376.242 1.850 20 0 GDADRO COC(=O)C[C@]1([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCOC1 ZINC000547338486 650495778 /nfs/dbraw/zinc/49/57/78/650495778.db2.gz JUYONNNJAUSOHD-MRXNPFEDSA-N 1 0 396.241 1.269 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cnc2ccc(C)cn12 ZINC000547849283 650517487 /nfs/dbraw/zinc/51/74/87/650517487.db2.gz WMKFSUCNKVXJCW-UHFFFAOYSA-N 1 0 381.483 1.181 20 0 GDADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ncc(I)cn1 ZINC000548036458 650528448 /nfs/dbraw/zinc/52/84/48/650528448.db2.gz UPACUOYLGAYLJJ-JTQLQIEISA-N 1 0 376.242 1.363 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)cc1F ZINC000548370427 650544473 /nfs/dbraw/zinc/54/44/73/650544473.db2.gz WFIFYEUOYKJRFP-GFCCVEGCSA-N 1 0 393.506 1.350 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000549204204 650572502 /nfs/dbraw/zinc/57/25/02/650572502.db2.gz FXTKXVOTUVKCSV-LSDHHAIUSA-N 1 0 385.555 1.297 20 0 GDADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000916186131 660188617 /nfs/dbraw/zinc/18/86/17/660188617.db2.gz COHULRHUZKKJNO-SNVBAGLBSA-N 1 0 391.287 1.549 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000550692190 650596446 /nfs/dbraw/zinc/59/64/46/650596446.db2.gz BYHZCGSVJCQJHD-SNVBAGLBSA-N 1 0 378.420 1.769 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1Br ZINC000551692172 650611313 /nfs/dbraw/zinc/61/13/13/650611313.db2.gz DFCAJJLPLUNCSI-QGZVFWFLSA-N 1 0 396.285 1.950 20 0 GDADRO Cc1c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)nnn1-c1cccc(Br)c1 ZINC000552157705 650621555 /nfs/dbraw/zinc/62/15/55/650621555.db2.gz YQBQFWKIANQFND-KBPBESRZSA-N 1 0 394.273 1.085 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000552506141 650628382 /nfs/dbraw/zinc/62/83/82/650628382.db2.gz CVEBOBFGUSHMHQ-UHFFFAOYSA-N 1 0 390.311 1.689 20 0 GDADRO CCOc1c(Br)cc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1OC ZINC000552439241 650626624 /nfs/dbraw/zinc/62/66/24/650626624.db2.gz FKHWSKAIIFWMIW-STQMWFEESA-N 1 0 387.274 1.603 20 0 GDADRO CC(C)[C@@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)[NH+](C)C ZINC000552946342 650635359 /nfs/dbraw/zinc/63/53/59/650635359.db2.gz PXCKKAXWRBYMTM-AWEZNQCLSA-N 1 0 396.340 1.974 20 0 GDADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)C[N@H+](C)[C@@H]2CCSC2)s1 ZINC000553409873 650645690 /nfs/dbraw/zinc/64/56/90/650645690.db2.gz MBWKBVSKVGMMHG-IJLUTSLNSA-N 1 0 385.559 1.617 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccccc1Br ZINC000553480388 650648230 /nfs/dbraw/zinc/64/82/30/650648230.db2.gz OYWCKKVYGSJVLM-ZDUSSCGKSA-N 1 0 390.347 1.504 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553603324 650652789 /nfs/dbraw/zinc/65/27/89/650652789.db2.gz YWGQNXOFEYYGCU-RYUDHWBXSA-N 1 0 390.472 1.084 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)CCCCF)CC1 ZINC000553794764 650657591 /nfs/dbraw/zinc/65/75/91/650657591.db2.gz GFGNTVHYQCUHSQ-UHFFFAOYSA-N 1 0 379.542 1.482 20 0 GDADRO O=C(NC[C@H]1CCSC1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000554161750 650669965 /nfs/dbraw/zinc/66/99/65/650669965.db2.gz DBGPTNONZURKFB-OAHLLOKOSA-N 1 0 385.599 1.724 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000554967576 650683986 /nfs/dbraw/zinc/68/39/86/650683986.db2.gz XSDQLJKTIZPBLQ-UHFFFAOYSA-N 1 0 379.408 1.509 20 0 GDADRO COc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc(Br)c1OC ZINC000555886437 650697196 /nfs/dbraw/zinc/69/71/96/650697196.db2.gz ZTTHNZXGQHBXRH-OAHLLOKOSA-N 1 0 375.263 1.509 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)C[NH+](C)C ZINC000556316396 650702290 /nfs/dbraw/zinc/70/22/90/650702290.db2.gz VSAPGTGNSCDBDI-SNVBAGLBSA-N 1 0 386.265 1.791 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(Br)c1 ZINC000556603794 650707457 /nfs/dbraw/zinc/70/74/57/650707457.db2.gz OYPHFOLUQDPOQE-DZGCQCFKSA-N 1 0 399.285 1.961 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000556737703 650710165 /nfs/dbraw/zinc/71/01/65/650710165.db2.gz BNNLFJBRTLJGSI-UHFFFAOYSA-N 1 0 387.552 1.590 20 0 GDADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000556877280 650713918 /nfs/dbraw/zinc/71/39/18/650713918.db2.gz CKVOEQPHNAKAFA-NEPJUHHUSA-N 1 0 380.919 1.433 20 0 GDADRO CC1(C)CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC[NH2+]1 ZINC000557199645 650720868 /nfs/dbraw/zinc/72/08/68/650720868.db2.gz DMOIZGZHIUZWNH-UHFFFAOYSA-N 1 0 392.884 1.151 20 0 GDADRO O=C(NCCc1ccccc1Br)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000557256594 650722317 /nfs/dbraw/zinc/72/23/17/650722317.db2.gz RYJNRXHFEMOVHE-GOSISDBHSA-N 1 0 394.313 1.710 20 0 GDADRO O=C(Nc1nc(CC(F)(F)F)cs1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000559605273 650734385 /nfs/dbraw/zinc/73/43/85/650734385.db2.gz OZCAZSUOSWYMFK-NSHDSACASA-N 1 0 376.404 1.883 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C[N@@H+]1C1CC1 ZINC000559679286 650735233 /nfs/dbraw/zinc/73/52/33/650735233.db2.gz SJVQRIANPYPQSI-IUCAKERBSA-N 1 0 376.404 1.928 20 0 GDADRO NS(=O)(=O)c1cc(Cl)cc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000563626868 650737655 /nfs/dbraw/zinc/73/76/55/650737655.db2.gz VEOUSBOKLVXROI-CQSZACIVSA-N 1 0 387.933 1.532 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000563875173 650741545 /nfs/dbraw/zinc/74/15/45/650741545.db2.gz VQSCHTKRCVRGNS-BXUZGUMPSA-N 1 0 383.290 1.476 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3C[NH2+]CCN3C)nc12 ZINC000564065166 650746751 /nfs/dbraw/zinc/74/67/51/650746751.db2.gz NAHZZPGLWFKMQT-AWEZNQCLSA-N 1 0 395.305 1.108 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000564193110 650751552 /nfs/dbraw/zinc/75/15/52/650751552.db2.gz XTKGRXKUGMKOQZ-FBUXBERBSA-N 1 0 380.286 1.678 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000564106675 650749114 /nfs/dbraw/zinc/74/91/14/650749114.db2.gz WPPMPHKTMHRGKU-HNNXBMFYSA-N 1 0 398.301 1.292 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)sc1C(F)(F)F ZINC000564679023 650764483 /nfs/dbraw/zinc/76/44/83/650764483.db2.gz SSIAWTWCAXWAFJ-ZDUSSCGKSA-N 1 0 396.460 1.962 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000564941325 650773494 /nfs/dbraw/zinc/77/34/94/650773494.db2.gz SZPJPQMVZRMNKB-GHMZBOCLSA-N 1 0 394.269 1.502 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000564940662 650773527 /nfs/dbraw/zinc/77/35/27/650773527.db2.gz SKALJABLAXTBHE-OCCSQVGLSA-N 1 0 385.295 1.557 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000564941329 650773848 /nfs/dbraw/zinc/77/38/48/650773848.db2.gz SZPJPQMVZRMNKB-WDEREUQCSA-N 1 0 394.269 1.502 20 0 GDADRO O=C(CC[NH2+]CCC(=O)N1CCOCC1)Nc1ccc(Br)cc1 ZINC000564794240 650767857 /nfs/dbraw/zinc/76/78/57/650767857.db2.gz ZXIQBVBTTDFECJ-UHFFFAOYSA-N 1 0 384.274 1.616 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000565277657 650790227 /nfs/dbraw/zinc/79/02/27/650790227.db2.gz WCXZMHSYVFKDGK-UHFFFAOYSA-N 1 0 383.543 1.485 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000565298907 650791019 /nfs/dbraw/zinc/79/10/19/650791019.db2.gz CSHHGQXYZJVKRJ-XPTSAGLGSA-N 1 0 389.315 1.889 20 0 GDADRO CN(C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)C1CC([NH3+])C1 ZINC000565362439 650793292 /nfs/dbraw/zinc/79/32/92/650793292.db2.gz LYRKTVJMPDONNO-UHFFFAOYSA-N 1 0 379.507 1.788 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000565365130 650793578 /nfs/dbraw/zinc/79/35/78/650793578.db2.gz ZRSNDZFBOXTJJY-NSHDSACASA-N 1 0 377.304 1.608 20 0 GDADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000565371716 650793912 /nfs/dbraw/zinc/79/39/12/650793912.db2.gz FZVYBPGIQSZUMY-CQSZACIVSA-N 1 0 394.273 1.985 20 0 GDADRO Cc1c(C(=O)NC[C@H]2C[NH2+]CCN2C)cnn1-c1ccc(Br)cc1 ZINC000565475785 650798678 /nfs/dbraw/zinc/79/86/78/650798678.db2.gz KRXTTWZCELAYOB-OAHLLOKOSA-N 1 0 392.301 1.577 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000565481389 650798884 /nfs/dbraw/zinc/79/88/84/650798884.db2.gz WLLGMAXIJKYKNJ-GFCCVEGCSA-N 1 0 390.303 1.067 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC[NH2+]C(C)C)c(OC)c1 ZINC000566009245 650826106 /nfs/dbraw/zinc/82/61/06/650826106.db2.gz JXFUKYREHKQTEJ-UHFFFAOYSA-N 1 0 393.531 1.123 20 0 GDADRO O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCCC[NH2+]C1CC1 ZINC000566256736 650838050 /nfs/dbraw/zinc/83/80/50/650838050.db2.gz MTCHQSNUKAKGDR-UHFFFAOYSA-N 1 0 394.269 1.694 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000566209248 650834992 /nfs/dbraw/zinc/83/49/92/650834992.db2.gz QYXXQGLEMPNLIR-INIZCTEOSA-N 1 0 396.329 1.898 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(OCC(F)(F)F)nc1 ZINC000566224043 650836004 /nfs/dbraw/zinc/83/60/04/650836004.db2.gz DGJGLIWQWYXPKT-VIFPVBQESA-N 1 0 375.319 1.298 20 0 GDADRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000566223957 650836098 /nfs/dbraw/zinc/83/60/98/650836098.db2.gz BFWCQLAUJLXKHD-VIFPVBQESA-N 1 0 376.276 1.349 20 0 GDADRO Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1I ZINC000566228546 650836469 /nfs/dbraw/zinc/83/64/69/650836469.db2.gz HIOJKMBITDDUJT-PHIMTYICSA-N 1 0 392.262 1.440 20 0 GDADRO CS[C@H]1CN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000566299834 650839903 /nfs/dbraw/zinc/83/99/03/650839903.db2.gz BIVRQTQTODOJRD-CVEARBPZSA-N 1 0 389.974 1.999 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(I)cc1F ZINC000566506018 650853122 /nfs/dbraw/zinc/85/31/22/650853122.db2.gz WIBOECOJRVVGBY-MRVPVSSYSA-N 1 0 379.173 1.222 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(I)c1 ZINC000566738733 650863946 /nfs/dbraw/zinc/86/39/46/650863946.db2.gz REDALGGTMBFPAQ-GFCCVEGCSA-N 1 0 387.221 1.488 20 0 GDADRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(-n3cc(Br)cn3)nn2)[C@@H](C)C1 ZINC000566643258 650861539 /nfs/dbraw/zinc/86/15/39/650861539.db2.gz DESBAVIEQDCXPK-RYUDHWBXSA-N 1 0 393.289 1.980 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000566858883 650870523 /nfs/dbraw/zinc/87/05/23/650870523.db2.gz GKWKEUGQPADWCL-SECBINFHSA-N 1 0 399.822 1.457 20 0 GDADRO O=S(=O)(NC[C@@H]1CCC[N@@H+](C[C@H](O)COCc2cccs2)C1)C1CC1 ZINC000567080741 650884119 /nfs/dbraw/zinc/88/41/19/650884119.db2.gz YAWSHZOZVVDXLJ-GJZGRUSLSA-N 1 0 388.555 1.419 20 0 GDADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCNc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC000567103554 650885201 /nfs/dbraw/zinc/88/52/01/650885201.db2.gz IVXJUUWGIIHLKZ-MBNYWOFBSA-N 1 0 377.316 1.860 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000567369637 650901981 /nfs/dbraw/zinc/90/19/81/650901981.db2.gz LBDBSJLCAOMKFZ-UHFFFAOYSA-N 1 0 386.290 1.102 20 0 GDADRO O=C(NCC[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000013357441 644237646 /nfs/dbraw/zinc/23/76/46/644237646.db2.gz JCMFLEQFNQHXHZ-UHFFFAOYSA-N 1 0 385.917 1.950 20 0 GDADRO C[NH2+]C[C@H](C)CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000567470626 650906224 /nfs/dbraw/zinc/90/62/24/650906224.db2.gz JOSYUEVSNIJSKH-XJKSGUPXSA-N 1 0 387.933 1.720 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1OC ZINC000567470512 650906352 /nfs/dbraw/zinc/90/63/52/650906352.db2.gz CUPYZNHERNRESO-ZJUUUORDSA-N 1 0 375.878 1.079 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)Cn1cccn1 ZINC000567493709 650907828 /nfs/dbraw/zinc/90/78/28/650907828.db2.gz IBRLUBBGXDXDBD-HNNXBMFYSA-N 1 0 395.301 1.645 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000567614383 650910903 /nfs/dbraw/zinc/91/09/03/650910903.db2.gz FHVZDXFRQIJTBF-SNVBAGLBSA-N 1 0 382.313 1.761 20 0 GDADRO CN(CC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000567667202 650913461 /nfs/dbraw/zinc/91/34/61/650913461.db2.gz LXWKSOYFDGBVRL-NSHDSACASA-N 1 0 393.962 1.916 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000567668104 650913973 /nfs/dbraw/zinc/91/39/73/650913973.db2.gz XXQACCKVPWQAIW-GXSJLCMTSA-N 1 0 380.242 1.383 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000567672768 650914352 /nfs/dbraw/zinc/91/43/52/650914352.db2.gz JADNFKMHBDCCKF-CMPLNLGQSA-N 1 0 394.269 1.679 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000567689370 650915155 /nfs/dbraw/zinc/91/51/55/650915155.db2.gz IYYVZXALCBVZTA-GXTWGEPZSA-N 1 0 375.282 1.802 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000567837287 650923169 /nfs/dbraw/zinc/92/31/69/650923169.db2.gz PAYSWOKAKGLXIT-MXWKQRLJSA-N 1 0 392.253 1.111 20 0 GDADRO OCc1cn(CCC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000567873355 650926253 /nfs/dbraw/zinc/92/62/53/650926253.db2.gz SSOVTQGQZKFRJR-GFCCVEGCSA-N 1 0 375.256 1.497 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000567873441 650926304 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GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423577247 646132143 /nfs/dbraw/zinc/13/21/43/646132143.db2.gz GWWGFXXLPRQXGC-ZDUSSCGKSA-N 1 0 380.286 1.544 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423580078 646133269 /nfs/dbraw/zinc/13/32/69/646133269.db2.gz QQKFPDJNLNRPLF-WCQYABFASA-N 1 0 398.276 1.615 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423593217 646135152 /nfs/dbraw/zinc/13/51/52/646135152.db2.gz LXKSSQOWWJYHMN-OAHLLOKOSA-N 1 0 382.302 1.660 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423596327 646135294 /nfs/dbraw/zinc/13/52/94/646135294.db2.gz MRDYFNROLMUKTK-ZFWWWQNUSA-N 1 0 394.313 1.866 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)C1 ZINC000423617827 646137947 /nfs/dbraw/zinc/13/79/47/646137947.db2.gz XVRNOHBYZSIJEF-ZBFHGGJFSA-N 1 0 394.313 1.660 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000423625503 646138648 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CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000903528742 659330542 /nfs/dbraw/zinc/33/05/42/659330542.db2.gz SOEXXLHIIPXSLQ-AMIZOPFISA-N 1 0 376.276 1.294 20 0 GDADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000907239678 659706302 /nfs/dbraw/zinc/70/63/02/659706302.db2.gz WVOUVWSSLFBGHO-UHFFFAOYSA-N 1 0 398.301 1.522 20 0 GDADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000912812806 660055065 /nfs/dbraw/zinc/05/50/65/660055065.db2.gz BIMWEYGVHYIQPT-QLFBSQMISA-N 1 0 387.571 1.994 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000918947707 660243479 /nfs/dbraw/zinc/24/34/79/660243479.db2.gz QLXBHDWPRNAILC-CQSZACIVSA-N 1 0 377.304 1.526 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)sc1Br ZINC000918954919 660243669 /nfs/dbraw/zinc/24/36/69/660243669.db2.gz AGZDQTZDUOZAEJ-GFCCVEGCSA-N 1 0 398.348 1.291 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C1 ZINC000918954917 660243685 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CGMFCOQBKLTSQF-UHFFFAOYSA-N 1 0 383.861 1.232 20 0 GDADRO CC[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000487220659 647945169 /nfs/dbraw/zinc/94/51/69/647945169.db2.gz PTOQJXJWDISTMX-UHFFFAOYSA-N 1 0 376.910 1.178 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)NC2(CCO)CC[NH+](C)CC2)c1 ZINC000487222664 647945634 /nfs/dbraw/zinc/94/56/34/647945634.db2.gz LEIGHSUNWGOCGI-UHFFFAOYSA-N 1 0 399.285 1.812 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000487879613 647955433 /nfs/dbraw/zinc/95/54/33/647955433.db2.gz QZVAVTWLXCBBII-UHFFFAOYSA-N 1 0 375.878 1.138 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000488340757 647958159 /nfs/dbraw/zinc/95/81/59/647958159.db2.gz ALRHAJLWVSNPDL-YGRLFVJLSA-N 1 0 378.416 1.923 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000490034197 647984423 /nfs/dbraw/zinc/98/44/23/647984423.db2.gz UHHJEQMDYOXQCD-GFCCVEGCSA-N 1 0 389.905 1.025 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000490042353 647984959 /nfs/dbraw/zinc/98/49/59/647984959.db2.gz IGBHPXVSORJXLR-SNVBAGLBSA-N 1 0 377.894 1.783 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000494961839 648008155 /nfs/dbraw/zinc/00/81/55/648008155.db2.gz SHFFDPHAKGKRPY-AWEZNQCLSA-N 1 0 376.567 1.609 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000495006328 648009488 /nfs/dbraw/zinc/00/94/88/648009488.db2.gz QSJUTXMZVXTBHR-UHFFFAOYSA-N 1 0 376.567 1.610 20 0 GDADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495166244 648010278 /nfs/dbraw/zinc/01/02/78/648010278.db2.gz HUDWGRXBOQZJAK-MYZSUADSSA-N 1 0 380.286 1.538 20 0 GDADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000495340527 648011910 /nfs/dbraw/zinc/01/19/10/648011910.db2.gz TXDWBQKBGCJVGY-FMKPAKJESA-N 1 0 385.302 1.341 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc1F ZINC000497356732 648026730 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COc1ncc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000624391684 653011845 /nfs/dbraw/zinc/01/18/45/653011845.db2.gz BJAJJDSVEDLWCI-SCZZXKLOSA-N 1 0 387.811 1.891 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000624395034 653012314 /nfs/dbraw/zinc/01/23/14/653012314.db2.gz BBAXPYHVGRQMPA-UHFFFAOYSA-N 1 0 381.292 1.280 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000624395721 653012539 /nfs/dbraw/zinc/01/25/39/653012539.db2.gz LBRLCTSZCGGJKJ-UHFFFAOYSA-N 1 0 390.303 1.455 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000624415489 653012841 /nfs/dbraw/zinc/01/28/41/653012841.db2.gz MCCLAKKEZSGMFB-ZDUSSCGKSA-N 1 0 389.905 1.523 20 0 GDADRO NS(=O)(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000626033128 653046851 /nfs/dbraw/zinc/04/68/51/653046851.db2.gz HSXLYRWNTWVQQA-UHFFFAOYSA-N 1 0 378.292 1.085 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000626169486 653051050 /nfs/dbraw/zinc/05/10/50/653051050.db2.gz 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ZINC000628215302 653093272 /nfs/dbraw/zinc/09/32/72/653093272.db2.gz DYPQLDQLKMUPOY-GOSISDBHSA-N 1 0 383.583 1.998 20 0 GDADRO Cn1cnn(CCC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1=O ZINC000628969112 653129005 /nfs/dbraw/zinc/12/90/05/653129005.db2.gz NBCNXRGUOVDHQA-CQSZACIVSA-N 1 0 386.283 1.698 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629560053 653171717 /nfs/dbraw/zinc/17/17/17/653171717.db2.gz CNBJKCDJDGIKCZ-UKRRQHHQSA-N 1 0 379.448 1.896 20 0 GDADRO C[NH2+]CCOCCN(C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000629571195 653173405 /nfs/dbraw/zinc/17/34/05/653173405.db2.gz JAAIDSWJMSJMMM-UHFFFAOYSA-N 1 0 379.320 1.391 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629800565 653183032 /nfs/dbraw/zinc/18/30/32/653183032.db2.gz WQKAGLCSZGFOIU-UHFFFAOYSA-N 1 0 386.290 1.150 20 0 GDADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000629821005 653183784 /nfs/dbraw/zinc/18/37/84/653183784.db2.gz FJDWBONRLFHWBH-LNSITVRQSA-N 1 0 380.286 1.713 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000629912883 653192220 /nfs/dbraw/zinc/19/22/20/653192220.db2.gz OTGQYCORIQDKFS-QWHCGFSZSA-N 1 0 386.279 1.529 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000629917407 653192975 /nfs/dbraw/zinc/19/29/75/653192975.db2.gz BANNXSPWBDKCLB-ZDUSSCGKSA-N 1 0 384.267 1.430 20 0 GDADRO COc1ccc(Cl)cc1CN(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631683705 653243690 /nfs/dbraw/zinc/24/36/90/653243690.db2.gz UONSWCKYICMZSO-UHFFFAOYSA-N 1 0 389.949 1.748 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1 ZINC000631686017 653243728 /nfs/dbraw/zinc/24/37/28/653243728.db2.gz BSFNWHJWRUFSND-GXFFZTMASA-N 1 0 377.392 1.640 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2coc(-c3cccs3)n2)CC1 ZINC000631689230 653244049 /nfs/dbraw/zinc/24/40/49/653244049.db2.gz BWCBOBFNUSVFII-UHFFFAOYSA-N 1 0 384.527 1.460 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000631713313 653245720 /nfs/dbraw/zinc/24/57/20/653245720.db2.gz ZJVDQDPIJHJXBV-CYBMUJFWSA-N 1 0 375.922 1.606 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCSc3c(F)cccc32)CC1 ZINC000631736909 653248051 /nfs/dbraw/zinc/24/80/51/653248051.db2.gz BGOWBQMPHBVACE-INIZCTEOSA-N 1 0 387.546 1.920 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)CC1 ZINC000631736910 653248392 /nfs/dbraw/zinc/24/83/92/653248392.db2.gz BGOWBQMPHBVACE-MRXNPFEDSA-N 1 0 387.546 1.920 20 0 GDADRO CN(CCCOc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)CCC[NH+](C)C ZINC000631800763 653255751 /nfs/dbraw/zinc/25/57/51/653255751.db2.gz NXOXTUQXNKFGGV-UHFFFAOYSA-N 1 0 392.543 1.072 20 0 GDADRO O=C(COc1ccc(Br)cn1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000631817454 653256848 /nfs/dbraw/zinc/25/68/48/653256848.db2.gz MACJSXCIABRLJU-OAHLLOKOSA-N 1 0 398.301 1.936 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2ccccc2Br)CC1 ZINC000631815323 653256946 /nfs/dbraw/zinc/25/69/46/653256946.db2.gz LDBDPZBRBQFZKG-UHFFFAOYSA-N 1 0 390.347 1.506 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ncsc1Br ZINC000631895581 653263621 /nfs/dbraw/zinc/26/36/21/653263621.db2.gz TYECCDNPAPQBJJ-SNVBAGLBSA-N 1 0 398.348 1.436 20 0 GDADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631900995 653265278 /nfs/dbraw/zinc/26/52/78/653265278.db2.gz OJQUUXFLSQZARJ-LLVKDONJSA-N 1 0 378.376 1.426 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N(Cc1cccc(Br)c1)C1CC1 ZINC000631911768 653267682 /nfs/dbraw/zinc/26/76/82/653267682.db2.gz QYZSDDYSIUFWCT-OAHLLOKOSA-N 1 0 389.315 1.732 20 0 GDADRO C[C@@H](COc1ccccc1C(F)(F)F)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631915894 653269221 /nfs/dbraw/zinc/26/92/21/653269221.db2.gz PQULEJHCBGFLCJ-NWDGAFQWSA-N 1 0 382.404 1.381 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000631916612 653269558 /nfs/dbraw/zinc/26/95/58/653269558.db2.gz ZUTBCALHOOGFPR-MRXNPFEDSA-N 1 0 388.917 1.296 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000631923980 653271699 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CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000631954583 653279142 /nfs/dbraw/zinc/27/91/42/653279142.db2.gz QULNSKFZDAFXQJ-UHFFFAOYSA-N 1 0 377.432 1.992 20 0 GDADRO O=S(=O)(NCc1cccc2c1CC[NH2+]C2)c1ncccc1Br ZINC000631963110 653279762 /nfs/dbraw/zinc/27/97/62/653279762.db2.gz VFQSNTNRJZTDFD-UHFFFAOYSA-N 1 0 382.283 1.968 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631971877 653282207 /nfs/dbraw/zinc/28/22/07/653282207.db2.gz SFMFYYUIVRDSJG-PHIMTYICSA-N 1 0 375.288 1.891 20 0 GDADRO COc1cc(S(=O)(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c(OC)cc1Br ZINC000631972830 653282474 /nfs/dbraw/zinc/28/24/74/653282474.db2.gz IVWZLTGLCCYGFV-IUCAKERBSA-N 1 0 379.276 1.577 20 0 GDADRO COc1cc(S(=O)(=O)N2C[C@H]([NH3+])C[C@H]2C)c(OC)cc1Br ZINC000631972831 653282687 /nfs/dbraw/zinc/28/26/87/653282687.db2.gz IVWZLTGLCCYGFV-RKDXNWHRSA-N 1 0 379.276 1.577 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cscc1Br)CN1CC[NH+](C)CC1 ZINC000632030908 653292649 /nfs/dbraw/zinc/29/26/49/653292649.db2.gz BFNCGIUNYBIIMY-LLVKDONJSA-N 1 0 396.376 1.672 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)Cc3ncsc3Br)[C@H]2C1 ZINC000632188869 653313884 /nfs/dbraw/zinc/31/38/84/653313884.db2.gz WMDUURGPQXHMEW-KOLCDFICSA-N 1 0 380.333 1.761 20 0 GDADRO CC(C)(C)OCCS(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000632192611 653314475 /nfs/dbraw/zinc/31/44/75/653314475.db2.gz KSTNUPRXENNROP-UHFFFAOYSA-N 1 0 376.563 1.956 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000632337150 653340124 /nfs/dbraw/zinc/34/01/24/653340124.db2.gz VFWNOBYJVVULQF-OCCSQVGLSA-N 1 0 381.523 1.847 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000632369316 653347334 /nfs/dbraw/zinc/34/73/34/653347334.db2.gz OAGZFLIEGKPMEY-TVQRCGJNSA-N 1 0 390.303 1.261 20 0 GDADRO COc1cc(S(=O)(=O)N2CC(C[NH+](C)C)C2)c(OC)cc1Br ZINC000632382175 653349949 /nfs/dbraw/zinc/34/99/49/653349949.db2.gz GEMGQHNKINGDFH-UHFFFAOYSA-N 1 0 393.303 1.648 20 0 GDADRO C[NH+](C)CC1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000632382297 653350011 /nfs/dbraw/zinc/35/00/11/653350011.db2.gz LNDJKKDGBQLDND-UHFFFAOYSA-N 1 0 375.288 1.566 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCCOc2ccc(F)c(Cl)c2)CC1 ZINC000632390354 653351298 /nfs/dbraw/zinc/35/12/98/653351298.db2.gz ZEQAXQXRPWABPI-UHFFFAOYSA-N 1 0 393.912 1.415 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 ZINC000632427037 653356420 /nfs/dbraw/zinc/35/64/20/653356420.db2.gz UHCBYUUQHDQQRZ-UHFFFAOYSA-N 1 0 383.440 1.123 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)COc1ccc(Br)cn1 ZINC000632526954 653371636 /nfs/dbraw/zinc/37/16/36/653371636.db2.gz HRJHYRLIPJUOMF-ZDUSSCGKSA-N 1 0 385.306 1.365 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000632575487 653377927 /nfs/dbraw/zinc/37/79/27/653377927.db2.gz QBCVQWJZDAKKNY-UHFFFAOYSA-N 1 0 380.436 1.839 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1Br ZINC000633023305 653420190 /nfs/dbraw/zinc/42/01/90/653420190.db2.gz QOFQKZFNILIYHC-STQMWFEESA-N 1 0 381.274 1.022 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)C[C@H]1C[NH3+] ZINC000633026607 653421628 /nfs/dbraw/zinc/42/16/28/653421628.db2.gz UTTRFPIRJOIZKD-DGCLKSJQSA-N 1 0 397.317 1.502 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C[C@H]1C[NH3+] ZINC000633028322 653421960 /nfs/dbraw/zinc/42/19/60/653421960.db2.gz YUAUFTBKJBBIJE-MWLCHTKSSA-N 1 0 384.249 1.531 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000633035337 653422529 /nfs/dbraw/zinc/42/25/29/653422529.db2.gz FFJYEUWFNFEPCO-YEORSEQZSA-N 1 0 380.286 1.972 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000633039493 653423404 /nfs/dbraw/zinc/42/34/04/653423404.db2.gz LEHLPMGMZRWHIV-CMPLNLGQSA-N 1 0 383.290 1.397 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2F)C1 ZINC000633104941 653427657 /nfs/dbraw/zinc/42/76/57/653427657.db2.gz JGQDJUVGHPVRCF-WDEREUQCSA-N 1 0 386.265 1.742 20 0 GDADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633766040 653469010 /nfs/dbraw/zinc/46/90/10/653469010.db2.gz LCRVHMPLCKEKAT-GWCFXTLKSA-N 1 0 381.420 1.362 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)c2cc(OC)c(S(N)(=O)=O)s2)CC1 ZINC000634123302 653487783 /nfs/dbraw/zinc/48/77/83/653487783.db2.gz ZVLKTVGMMMNMRB-UHFFFAOYSA-N 1 0 375.516 1.351 20 0 GDADRO Cn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)CC2 ZINC000634646013 653495959 /nfs/dbraw/zinc/49/59/59/653495959.db2.gz XBDCIQMOOYJNIA-CQSZACIVSA-N 1 0 384.263 1.885 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cscc2Cl)CC1 ZINC000635089437 653505989 /nfs/dbraw/zinc/50/59/89/653505989.db2.gz RATADFMSQHWIQO-ZDUSSCGKSA-N 1 0 384.889 1.105 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1 ZINC000635115341 653506949 /nfs/dbraw/zinc/50/69/49/653506949.db2.gz NPEJWHZYFPIMLK-CQSZACIVSA-N 1 0 385.917 1.515 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000637649851 653530609 /nfs/dbraw/zinc/53/06/09/653530609.db2.gz FRIFOFYMDIBNCS-ARFHVFGLSA-N 1 0 382.302 1.701 20 0 GDADRO C[C@H](NC(=O)c1cnc(C[NH3+])nc1)c1cc2c(cc1Br)OCCO2 ZINC000637937896 653532470 /nfs/dbraw/zinc/53/24/70/653532470.db2.gz OLGOOIRWKRRUOP-VIFPVBQESA-N 1 0 393.241 1.960 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000637938353 653532535 /nfs/dbraw/zinc/53/25/35/653532535.db2.gz RNGLHLYEMOYRIU-CABCVRRESA-N 1 0 383.286 1.730 20 0 GDADRO [NH3+]C[C@]1(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCCOC1 ZINC000637938564 653532555 /nfs/dbraw/zinc/53/25/55/653532555.db2.gz SVUBCPBEYXWWNE-MRXNPFEDSA-N 1 0 384.274 1.649 20 0 GDADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000637961810 653533183 /nfs/dbraw/zinc/53/31/83/653533183.db2.gz ZWYXPXUEERVVJJ-ZBEGNZNMSA-N 1 0 385.258 1.604 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637968509 653533618 /nfs/dbraw/zinc/53/36/18/653533618.db2.gz PNADHVIDTPDTQB-MRXNPFEDSA-N 1 0 384.274 1.581 20 0 GDADRO COc1cc(CNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)cc(Br)c1OC ZINC000637970744 653533816 /nfs/dbraw/zinc/53/38/16/653533816.db2.gz URQSRHZJCISQKY-MEDUHNTESA-N 1 0 387.274 1.850 20 0 GDADRO CC(C)OCC[NH+]1CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000638106513 653536563 /nfs/dbraw/zinc/53/65/63/653536563.db2.gz KCMRAQPTNPXJJY-UHFFFAOYSA-N 1 0 375.922 1.530 20 0 GDADRO [NH3+]C[C@]1(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CCCOC1 ZINC000638109151 653536818 /nfs/dbraw/zinc/53/68/18/653536818.db2.gz CSSWPTCTJQRAQR-CXAGYDPISA-N 1 0 382.302 1.900 20 0 GDADRO CC(C)[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)N1CCOCC1 ZINC000638321607 653538043 /nfs/dbraw/zinc/53/80/43/653538043.db2.gz NAAAQJAMYUCRLY-OAHLLOKOSA-N 1 0 382.306 1.938 20 0 GDADRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000638323583 653538274 /nfs/dbraw/zinc/53/82/74/653538274.db2.gz KHVDAHDJKHXJHN-WBMJQRKESA-N 1 0 395.257 1.882 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638360351 653538824 /nfs/dbraw/zinc/53/88/24/653538824.db2.gz ISWFEFHXKYCQNX-UHFFFAOYSA-N 1 0 390.307 1.253 20 0 GDADRO [NH3+]C1(CNC(=O)c2ncc(Br)cc2Br)CCOCC1 ZINC000638540649 653539178 /nfs/dbraw/zinc/53/91/78/653539178.db2.gz SAXXGVUBIDWXGI-UHFFFAOYSA-N 1 0 393.079 1.844 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000638560826 653540114 /nfs/dbraw/zinc/54/01/14/653540114.db2.gz NXZRQRHMWCFXSL-UHFFFAOYSA-N 1 0 395.261 1.299 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000638587032 653540853 /nfs/dbraw/zinc/54/08/53/653540853.db2.gz JHKWFRIDECTOJQ-UHFFFAOYSA-N 1 0 387.933 1.948 20 0 GDADRO O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596571 653541558 /nfs/dbraw/zinc/54/15/58/653541558.db2.gz QSWWMRRLFVVNBI-JSGCOSHPSA-N 1 0 398.326 1.766 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)C[NH2+]1 ZINC000638647881 653541711 /nfs/dbraw/zinc/54/17/11/653541711.db2.gz JKHPZYOJHGZCAT-RKDXNWHRSA-N 1 0 396.332 1.046 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000638654012 653542118 /nfs/dbraw/zinc/54/21/18/653542118.db2.gz CPBHAOXAJBMEOT-WDEREUQCSA-N 1 0 394.324 1.919 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768504 653543090 /nfs/dbraw/zinc/54/30/90/653543090.db2.gz CHSXSIUXSOQYSL-UHIISALHSA-N 1 0 389.315 1.726 20 0 GDADRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3cnn4cc(Br)cnc34)C2)cn1 ZINC000638707712 653542415 /nfs/dbraw/zinc/54/24/15/653542415.db2.gz KMTNCXHMQXBBFI-CQSZACIVSA-N 1 0 390.289 1.984 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@]2(O)CCSC2)cc1Br ZINC000638730551 653542525 /nfs/dbraw/zinc/54/25/25/653542525.db2.gz XOUYBTJPIUWKEX-LBPRGKRZSA-N 1 0 381.317 1.054 20 0 GDADRO COCCC(=O)N1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638756800 653542837 /nfs/dbraw/zinc/54/28/37/653542837.db2.gz LMAXXYZUYJMIEF-UHFFFAOYSA-N 1 0 396.289 1.609 20 0 GDADRO C[C@]([NH3+])(C(=O)N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1 ZINC000638799212 653543676 /nfs/dbraw/zinc/54/36/76/653543676.db2.gz MVGQJUFWHSYOCA-RHSMWYFYSA-N 1 0 380.286 1.893 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)nn1 ZINC000638830536 653544643 /nfs/dbraw/zinc/54/46/43/653544643.db2.gz DNWVPALOMVGYCI-BYCMXARLSA-N 1 0 376.258 1.458 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccs2)c2ccccc21 ZINC000639065411 653545511 /nfs/dbraw/zinc/54/55/11/653545511.db2.gz PXEVKBQNWPJHDN-CYBMUJFWSA-N 1 0 379.507 1.896 20 0 GDADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@H]1n1cccn1 ZINC000639235413 653548152 /nfs/dbraw/zinc/54/81/52/653548152.db2.gz ILVRNPVSBGTZSR-UMVBOHGHSA-N 1 0 384.527 1.879 20 0 GDADRO CC[NH+]1CCC(N2CCCN(Cc3ccc(S(N)(=O)=O)s3)CC2)CC1 ZINC000639277049 653548981 /nfs/dbraw/zinc/54/89/81/653548981.db2.gz ROHOXJRONRETSC-UHFFFAOYSA-N 1 0 386.587 1.388 20 0 GDADRO NS(=O)(=O)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000639308009 653549751 /nfs/dbraw/zinc/54/97/51/653549751.db2.gz JUIUNKMEYLYROP-OAHLLOKOSA-N 1 0 381.523 1.252 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000639765624 653552720 /nfs/dbraw/zinc/55/27/20/653552720.db2.gz KXKSGVCECDCMFU-OAHLLOKOSA-N 1 0 385.262 1.981 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1Br ZINC000640168494 653556382 /nfs/dbraw/zinc/55/63/82/653556382.db2.gz GQZNPPVPQMZZTB-LBPRGKRZSA-N 1 0 386.294 1.554 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C1 ZINC000640384567 653559713 /nfs/dbraw/zinc/55/97/13/653559713.db2.gz QSLCDCWOYJXXPW-SSDOTTSWSA-N 1 0 389.350 2.034 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)n1cc([C@@H]([NH3+])CO)nn1 ZINC000640925750 653560722 /nfs/dbraw/zinc/56/07/22/653560722.db2.gz MNJZTTPBUASPRP-MFKMUULPSA-N 1 0 382.262 1.252 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000641443935 653568290 /nfs/dbraw/zinc/56/82/90/653568290.db2.gz XPEZOWQQDAWCPX-SNVBAGLBSA-N 1 0 384.278 1.551 20 0 GDADRO Cn1ncc(Br)c1CNS(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641639533 653573405 /nfs/dbraw/zinc/57/34/05/653573405.db2.gz BYTLCOCEGZNVDM-UHFFFAOYSA-N 1 0 399.314 1.649 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000641650983 653574135 /nfs/dbraw/zinc/57/41/35/653574135.db2.gz ZIKMASXWTGZIGC-UHFFFAOYSA-N 1 0 385.921 1.522 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NCc1snc(OC)c1Br ZINC000641653608 653574545 /nfs/dbraw/zinc/57/45/45/653574545.db2.gz NZDLCTGDADHYFU-UHFFFAOYSA-N 1 0 386.337 1.675 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccncc1Br ZINC000641667586 653575049 /nfs/dbraw/zinc/57/50/49/653575049.db2.gz GOQMCZBZACCLTG-AWEZNQCLSA-N 1 0 397.317 1.371 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)NCCCCSc1ccccc1Br ZINC000642117779 653577097 /nfs/dbraw/zinc/57/70/97/653577097.db2.gz WYZSINLIRMNJBO-LLVKDONJSA-N 1 0 388.331 1.901 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)CC[C@H]1[NH3+] ZINC000642187637 653577501 /nfs/dbraw/zinc/57/75/01/653577501.db2.gz WHWVVFBQOYHUOC-NQBHXWOUSA-N 1 0 383.290 1.607 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642249377 653578060 /nfs/dbraw/zinc/57/80/60/653578060.db2.gz VKQWWIZCHNGUGV-IAQYHMDHSA-N 1 0 398.276 1.457 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642640837 653579002 /nfs/dbraw/zinc/57/90/02/653579002.db2.gz BBWLSKORJGIKCK-DOMZBBRYSA-N 1 0 380.286 1.584 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2Br)CC[C@H]1[NH3+] ZINC000643474941 653583037 /nfs/dbraw/zinc/58/30/37/653583037.db2.gz QOQSIRWKEWLGBK-SWLSCSKDSA-N 1 0 382.302 1.993 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000643983537 653593658 /nfs/dbraw/zinc/59/36/58/653593658.db2.gz AHNSRBHYANHFOA-ZDUSSCGKSA-N 1 0 375.441 1.947 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000644014722 653594864 /nfs/dbraw/zinc/59/48/64/653594864.db2.gz HFSZHQAIMLPAPZ-RISCZKNCSA-N 1 0 375.441 1.359 20 0 GDADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000644154160 653596076 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[NH3+]Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)o1 ZINC000645148852 653601770 /nfs/dbraw/zinc/60/17/70/653601770.db2.gz GKYKIJIKRCQXBU-UHFFFAOYSA-N 1 0 383.857 1.538 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccccc1Br ZINC000645184060 653601830 /nfs/dbraw/zinc/60/18/30/653601830.db2.gz FOJLILIYQZHFPF-LBPRGKRZSA-N 1 0 383.290 1.711 20 0 GDADRO CO[C@H](CS(=O)(=O)NCCCC[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000645473621 653603035 /nfs/dbraw/zinc/60/30/35/653603035.db2.gz UHDWHOPEOAYWLV-GOSISDBHSA-N 1 0 376.563 1.860 20 0 GDADRO C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1ncc(Br)cn1 ZINC000645515446 653603555 /nfs/dbraw/zinc/60/35/55/653603555.db2.gz DCNNDMBJPSPXMQ-GFCCVEGCSA-N 1 0 398.305 1.806 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(F)c(Br)cc3F)[C@@H]2C1 ZINC000645623248 653604888 /nfs/dbraw/zinc/60/48/88/653604888.db2.gz RCCQIQKGQGIAMI-AMIZOPFISA-N 1 0 388.212 1.828 20 0 GDADRO C[C@@]([NH3+])(C(=O)N1CCC[C@H](N2CCNC2=O)C1)c1ccc(Br)cc1 ZINC000645761637 653606507 /nfs/dbraw/zinc/60/65/07/653606507.db2.gz IXTZJDLGERQUKW-YOEHRIQHSA-N 1 0 395.301 1.639 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000645835018 653607292 /nfs/dbraw/zinc/60/72/92/653607292.db2.gz DHJQRRYZLCXGKK-SECBINFHSA-N 1 0 381.832 1.359 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1nnc(CC(F)(F)F)s1)CCO2 ZINC000646312862 653609564 /nfs/dbraw/zinc/60/95/64/653609564.db2.gz AIXGTZYWSPVHBJ-UHFFFAOYSA-N 1 0 379.408 1.971 20 0 GDADRO O=C([C@@H]1C[NH2+]CCO1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000646557622 653610803 /nfs/dbraw/zinc/61/08/03/653610803.db2.gz XFGUMPMAYFYBIC-HNNXBMFYSA-N 1 0 386.265 1.221 20 0 GDADRO [NH3+]Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1 ZINC000646579882 653611144 /nfs/dbraw/zinc/61/11/44/653611144.db2.gz RMBABVWWBVQAAA-UHFFFAOYSA-N 1 0 380.495 1.463 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1ccsc1 ZINC000646669455 653612233 /nfs/dbraw/zinc/61/22/33/653612233.db2.gz PNHCBIGTSZBOTI-ZFWWWQNUSA-N 1 0 388.559 1.163 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)[C@@H]1C[NH3+] ZINC000646772671 653613471 /nfs/dbraw/zinc/61/34/71/653613471.db2.gz UBCNTWJHSUSVAY-NOZJJQNGSA-N 1 0 382.258 1.979 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646803210 653614147 /nfs/dbraw/zinc/61/41/47/653614147.db2.gz NXXXYDYIXWHVLJ-JTQLQIEISA-N 1 0 396.289 1.397 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CCO1 ZINC000646847584 653614962 /nfs/dbraw/zinc/61/49/62/653614962.db2.gz BBNDBEQGVDRZBR-ZIBATOQPSA-N 1 0 386.279 1.921 20 0 GDADRO CC1([NH3+])CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000646992984 653618776 /nfs/dbraw/zinc/61/87/76/653618776.db2.gz CKECJRBGKPMLDO-UHFFFAOYSA-N 1 0 389.315 1.704 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000647067748 653619769 /nfs/dbraw/zinc/61/97/69/653619769.db2.gz NOOIWPCUTNRTJJ-VHSXEESVSA-N 1 0 377.304 1.853 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647071336 653619958 /nfs/dbraw/zinc/61/99/58/653619958.db2.gz JSZKXJKNOHGWMX-BQBZGAKWSA-N 1 0 384.246 1.728 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cncnc2OC)s1 ZINC000647179126 653622816 /nfs/dbraw/zinc/62/28/16/653622816.db2.gz BKXPOSSQMPUOKU-UHFFFAOYSA-N 1 0 384.527 1.910 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)CCO1 ZINC000647233887 653623810 /nfs/dbraw/zinc/62/38/10/653623810.db2.gz GQJKJIQNJHLHIQ-CPCISQLKSA-N 1 0 385.230 1.464 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CCO1 ZINC000647250986 653624368 /nfs/dbraw/zinc/62/43/68/653624368.db2.gz SVNSJMWIYZHWDN-LLVKDONJSA-N 1 0 383.695 1.592 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1OC ZINC000647255154 653624587 /nfs/dbraw/zinc/62/45/87/653624587.db2.gz JBLWBIZKRJOHIG-CYBMUJFWSA-N 1 0 389.905 1.327 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000647323564 653626151 /nfs/dbraw/zinc/62/61/51/653626151.db2.gz ZBNCHZUYCLKHEN-BPLDGKMQSA-N 1 0 385.555 1.955 20 0 GDADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NC[C@H]1C[NH2+]CCCO1 ZINC000647324245 653626190 /nfs/dbraw/zinc/62/61/90/653626190.db2.gz PUGNQAFWAVFPQV-GFCCVEGCSA-N 1 0 397.722 1.900 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c(OC)cc1Br ZINC000647335523 653626390 /nfs/dbraw/zinc/62/63/90/653626390.db2.gz NAPDPLFIKNXJBK-IUCAKERBSA-N 1 0 381.292 1.870 20 0 GDADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000647531513 653628254 /nfs/dbraw/zinc/62/82/54/653628254.db2.gz ACEOSPHMKDHDIL-OFQRWUPVSA-N 1 0 390.318 1.936 20 0 GDADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000647531512 653628281 /nfs/dbraw/zinc/62/82/81/653628281.db2.gz ACEOSPHMKDHDIL-IJEWVQPXSA-N 1 0 390.318 1.936 20 0 GDADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000647763696 653633575 /nfs/dbraw/zinc/63/35/75/653633575.db2.gz HTQDSLMTKAKFLN-NSHDSACASA-N 1 0 384.274 1.875 20 0 GDADRO C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1C[NH3+] ZINC000647822286 653635189 /nfs/dbraw/zinc/63/51/89/653635189.db2.gz NRQOKEODQNKUDE-IINYFYTJSA-N 1 0 394.324 1.858 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)CCOc3cccc(Br)c3)C2)CC1 ZINC000647825353 653635414 /nfs/dbraw/zinc/63/54/14/653635414.db2.gz UAOCTDWZDGYSAE-UHFFFAOYSA-N 1 0 396.329 1.924 20 0 GDADRO CC1(OCC(=O)NCCCNC(=O)c2ccc(Br)cc2)C[NH2+]C1 ZINC000648048803 653637654 /nfs/dbraw/zinc/63/76/54/653637654.db2.gz QRIVMUUXTFHPLM-UHFFFAOYSA-N 1 0 384.274 1.064 20 0 GDADRO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)N[C@H]1CCC[NH2+]CC1 ZINC000648119915 653639218 /nfs/dbraw/zinc/63/92/18/653639218.db2.gz DPAGCQOAXTURHL-NSHDSACASA-N 1 0 379.404 1.242 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000648122287 653639369 /nfs/dbraw/zinc/63/93/69/653639369.db2.gz QLQXTQVQNGCJOW-RYUDHWBXSA-N 1 0 390.303 1.114 20 0 GDADRO C[C@H](CC(=O)N1CCN(CC[NH+]2CCCC2)CC1)n1cc(Br)cn1 ZINC000648720552 653653440 /nfs/dbraw/zinc/65/34/40/653653440.db2.gz VTGVCUOXOQSUPO-OAHLLOKOSA-N 1 0 398.349 1.837 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)C[C@@H](C)n2cc(Br)cn2)CC1 ZINC000648733103 653653851 /nfs/dbraw/zinc/65/38/51/653653851.db2.gz CJGRCTUKWXJMDE-CQSZACIVSA-N 1 0 386.338 1.741 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)C[C@H](C)n2cc(Br)cn2)CC1 ZINC000648733102 653653993 /nfs/dbraw/zinc/65/39/93/653653993.db2.gz CJGRCTUKWXJMDE-AWEZNQCLSA-N 1 0 386.338 1.741 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000648778565 653655059 /nfs/dbraw/zinc/65/50/59/653655059.db2.gz DOUGSIBGMKTHSG-GFCCVEGCSA-N 1 0 380.290 1.311 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649070405 653663098 /nfs/dbraw/zinc/66/30/98/653663098.db2.gz NZYFYOKUCCXWEV-OLZOCXBDSA-N 1 0 398.301 1.795 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCc1ccc(Br)cc1 ZINC000649075117 653663656 /nfs/dbraw/zinc/66/36/56/653663656.db2.gz WYRXFUXKYQWRGC-CYBMUJFWSA-N 1 0 382.302 1.960 20 0 GDADRO [NH3+][C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)C1 ZINC000649473263 653668002 /nfs/dbraw/zinc/66/80/02/653668002.db2.gz UPESOMRKCNTIRW-OAHLLOKOSA-N 1 0 378.475 1.194 20 0 GDADRO C[NH+](C)CCN1CCN(CCC(=O)Nc2ccccc2Br)CC1=O ZINC000649686737 653671855 /nfs/dbraw/zinc/67/18/55/653671855.db2.gz VNZMFNVDVIHBIM-UHFFFAOYSA-N 1 0 397.317 1.484 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1(C2CCC2)CC1 ZINC000649811392 653675096 /nfs/dbraw/zinc/67/50/96/653675096.db2.gz PTBDSNDUJGCFQG-UHFFFAOYSA-N 1 0 386.539 1.633 20 0 GDADRO COc1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)sc1Br ZINC000650306360 653691123 /nfs/dbraw/zinc/69/11/23/653691123.db2.gz IEGWKBCCIRWQDV-UHFFFAOYSA-N 1 0 390.303 1.365 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@@H]1CCCC[N@H+]1CCO ZINC000650597287 653697799 /nfs/dbraw/zinc/69/77/99/653697799.db2.gz XKJIWHCMAZYZDI-ZDUSSCGKSA-N 1 0 388.295 1.686 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000651537886 653830233 /nfs/dbraw/zinc/83/02/33/653830233.db2.gz VUTWEERLXDULPW-UHFFFAOYSA-N 1 0 391.896 1.558 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)C[C@@H]1C ZINC000651574917 653833321 /nfs/dbraw/zinc/83/33/21/653833321.db2.gz NFWNVRRANVABLZ-BBRMVZONSA-N 1 0 386.539 1.608 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1ncccc1SC)[C@H]1CCS(=O)(=O)C1 ZINC000651581517 653834633 /nfs/dbraw/zinc/83/46/33/653834633.db2.gz VJBOTKCDGDBTFU-AWEZNQCLSA-N 1 0 385.555 1.775 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)c1cccc(C(F)(F)F)c1 ZINC000651753977 653853872 /nfs/dbraw/zinc/85/38/72/653853872.db2.gz OIFSDZLIKOYFGL-OLZOCXBDSA-N 1 0 379.404 1.116 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@]2(CO)CCc3ccccc32)cc1Cl ZINC000651976914 653875126 /nfs/dbraw/zinc/87/51/26/653875126.db2.gz JYVQAIJELKYRKB-SFHVURJKSA-N 1 0 380.897 1.954 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCCC2(C[NH3+])CC2)s1 ZINC000652122883 653882414 /nfs/dbraw/zinc/88/24/14/653882414.db2.gz OPTHSDPTZUYYAQ-UHFFFAOYSA-N 1 0 388.559 1.707 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H](CO)CCF)cc1Cl ZINC000652186947 653884528 /nfs/dbraw/zinc/88/45/28/653884528.db2.gz ZDEOGQCOYOSYLM-LBPRGKRZSA-N 1 0 375.828 1.056 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C[C@H]1C[NH3+] ZINC000652635647 653894826 /nfs/dbraw/zinc/89/48/26/653894826.db2.gz BCAKJTGRIKRGAD-AMIZOPFISA-N 1 0 378.231 1.893 20 0 GDADRO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000652725361 653897402 /nfs/dbraw/zinc/89/74/02/653897402.db2.gz FQZAZQYXUVYYKZ-UHFFFAOYSA-N 1 0 394.313 1.840 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653058705 653904688 /nfs/dbraw/zinc/90/46/88/653904688.db2.gz CIPLZNQHNALQRY-ZDUSSCGKSA-N 1 0 385.306 1.433 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653082658 653905698 /nfs/dbraw/zinc/90/56/98/653905698.db2.gz ABFAFWGLURUVDW-ZDUSSCGKSA-N 1 0 385.306 1.481 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653098093 653906178 /nfs/dbraw/zinc/90/61/78/653906178.db2.gz BGBXWVZDBNOHGG-NWANDNLSSA-N 1 0 383.286 1.836 20 0 GDADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653113180 653906602 /nfs/dbraw/zinc/90/66/02/653906602.db2.gz VKZHHANJUYEEFJ-GLJUWKHASA-N 1 0 394.313 1.628 20 0 GDADRO CCO[C@@H]1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@H]1C[NH3+] ZINC000653245154 653909193 /nfs/dbraw/zinc/90/91/93/653909193.db2.gz PCAOIAJBRNDNSQ-IUODEOHRSA-N 1 0 386.901 1.469 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653261934 653909220 /nfs/dbraw/zinc/90/92/20/653909220.db2.gz ZHZIPBISYUPJJS-XQQFMLRXSA-N 1 0 387.527 1.205 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CNC1(c2cc(Br)ccc2OC)CC1 ZINC000653775125 653921788 /nfs/dbraw/zinc/92/17/88/653921788.db2.gz MZULGCOTJVYPGG-CQSZACIVSA-N 1 0 387.318 1.976 20 0 GDADRO O=C(c1ccsc1Br)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000654284880 653933220 /nfs/dbraw/zinc/93/32/20/653933220.db2.gz ZRQYCOKAWWSNOJ-LLVKDONJSA-N 1 0 386.315 1.937 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(C)s1 ZINC000654500849 653938789 /nfs/dbraw/zinc/93/87/89/653938789.db2.gz ZPAINAVMDUSDJU-OKILXGFUSA-N 1 0 388.559 1.283 20 0 GDADRO C[C@@H](NC(=O)c1cc2c(ccc(F)c2Br)[nH]1)C(=O)NCC[NH+](C)C ZINC000655081016 653958010 /nfs/dbraw/zinc/95/80/10/653958010.db2.gz NXRXMCFNZINCEU-SECBINFHSA-N 1 0 399.264 1.866 20 0 GDADRO COCCN(C[C@H](O)C(F)(F)F)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000655201528 653961818 /nfs/dbraw/zinc/96/18/18/653961818.db2.gz CZUMFUAEPFMSOE-KGLIPLIRSA-N 1 0 384.464 1.602 20 0 GDADRO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655507639 653972436 /nfs/dbraw/zinc/97/24/36/653972436.db2.gz WYYUMIDBBUXRJY-NEPJUHHUSA-N 1 0 385.383 1.134 20 0 GDADRO [NH3+]C[C@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C(F)(F)F ZINC000655508688 653972577 /nfs/dbraw/zinc/97/25/77/653972577.db2.gz CDCMNBJLSADQKP-KCJUWKMLSA-N 1 0 394.191 1.808 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655913494 653993478 /nfs/dbraw/zinc/99/34/78/653993478.db2.gz AAILOUMAJJJEGT-MRVPVSSYSA-N 1 0 398.183 1.314 20 0 GDADRO Cc1ccc(C(=O)NC2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)s1 ZINC000655913803 653993519 /nfs/dbraw/zinc/99/35/19/653993519.db2.gz JLFOXFZCIYOWHN-GFCCVEGCSA-N 1 0 378.420 1.850 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(F)(F)F ZINC000655923778 653994207 /nfs/dbraw/zinc/99/42/07/653994207.db2.gz YDJXONGZUVKZSR-WDEREUQCSA-N 1 0 382.745 1.773 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC[C@H](CO)Cc1cccc(Br)c1)C(F)(F)F ZINC000655927946 653994812 /nfs/dbraw/zinc/99/48/12/653994812.db2.gz JVDRQWNKFRHWFM-PWSUYJOCSA-N 1 0 398.223 1.789 20 0 GDADRO C[C@@](CO)(NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Br)cc1 ZINC000655930952 653995048 /nfs/dbraw/zinc/99/50/48/653995048.db2.gz WAADXNFODOJJBX-PWSUYJOCSA-N 1 0 384.196 1.845 20 0 GDADRO CCOc1cc(C[NH2+]CC(=O)N2CCN(C)CC2)cc(Br)c1O ZINC000656493208 654031687 /nfs/dbraw/zinc/03/16/87/654031687.db2.gz PJWYNLFGLPBYOW-UHFFFAOYSA-N 1 0 386.290 1.417 20 0 GDADRO CS(=O)(=O)C1(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC000656711935 654047636 /nfs/dbraw/zinc/04/76/36/654047636.db2.gz CQUVUFUWUYSAHF-UHFFFAOYSA-N 1 0 377.503 1.937 20 0 GDADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)CC1 ZINC000656865576 654058256 /nfs/dbraw/zinc/05/82/56/654058256.db2.gz IVZDBHPOOHBWSC-UHFFFAOYSA-N 1 0 385.555 1.805 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2C1 ZINC000656872840 654060146 /nfs/dbraw/zinc/06/01/46/654060146.db2.gz AVTXLHUHKJWLQX-CYBMUJFWSA-N 1 0 383.539 1.415 20 0 GDADRO CO[C@H](CS(=O)(=O)NCCCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000656874804 654061124 /nfs/dbraw/zinc/06/11/24/654061124.db2.gz WSHVTTBWIDVAEP-GOSISDBHSA-N 1 0 375.579 1.529 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656912193 654070429 /nfs/dbraw/zinc/07/04/29/654070429.db2.gz OUEOEKPJQWWDPM-UHFFFAOYSA-N 1 0 382.885 1.181 20 0 GDADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000658028513 654179431 /nfs/dbraw/zinc/17/94/31/654179431.db2.gz WIZUAOFLJJJDAF-HUUCEWRRSA-N 1 0 376.316 1.909 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000658080883 654181173 /nfs/dbraw/zinc/18/11/73/654181173.db2.gz ONIJDWMPACVOSD-LBPRGKRZSA-N 1 0 391.331 1.804 20 0 GDADRO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658086228 654181417 /nfs/dbraw/zinc/18/14/17/654181417.db2.gz GDJXBUDWXVGITG-RNCFNFMXSA-N 1 0 377.304 1.908 20 0 GDADRO O=S(=O)(CCc1ccc(F)cc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000658379702 654187146 /nfs/dbraw/zinc/18/71/46/654187146.db2.gz UABYNXAQXJRNCY-AWEZNQCLSA-N 1 0 383.411 1.124 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CC4CCC3(C[NH3+])CC4)cc2C1 ZINC000658385016 654188443 /nfs/dbraw/zinc/18/84/43/654188443.db2.gz RKCZADOSNSPSKK-UHFFFAOYSA-N 1 0 383.539 1.545 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000658393842 654189323 /nfs/dbraw/zinc/18/93/23/654189323.db2.gz AQXDUSDYWIYGNZ-UHFFFAOYSA-N 1 0 387.889 1.162 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1F ZINC000658408463 654191391 /nfs/dbraw/zinc/19/13/91/654191391.db2.gz UBTIKGVQVXYSEQ-DGCLKSJQSA-N 1 0 397.469 1.037 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000658675807 654203213 /nfs/dbraw/zinc/20/32/13/654203213.db2.gz JYGNSHKPLMMGAG-UHFFFAOYSA-N 1 0 388.295 1.334 20 0 GDADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658902058 654211158 /nfs/dbraw/zinc/21/11/58/654211158.db2.gz PSKXASNVSRWXBN-HNNXBMFYSA-N 1 0 396.285 1.445 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000658943263 654213335 /nfs/dbraw/zinc/21/33/35/654213335.db2.gz DSUOZTROYINYOV-ZNMIVQPWSA-N 1 0 385.555 1.796 20 0 GDADRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1ccc(F)c(Br)c1F ZINC000659048457 654213998 /nfs/dbraw/zinc/21/39/98/654213998.db2.gz SKDNAWMMARTOLO-UHFFFAOYSA-N 1 0 377.189 1.281 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c(Cl)cc1Br ZINC000659074543 654215223 /nfs/dbraw/zinc/21/52/23/654215223.db2.gz LSSMTYFBXYSWHX-MRVPVSSYSA-N 1 0 390.665 1.870 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659074126 654215319 /nfs/dbraw/zinc/21/53/19/654215319.db2.gz HOLYVCVAQFVGES-NSHDSACASA-N 1 0 380.286 1.894 20 0 GDADRO COCCN(Cc1sccc1Br)C(=O)c1cn(CC[NH3+])nn1 ZINC000659316684 654222128 /nfs/dbraw/zinc/22/21/28/654222128.db2.gz QSOWYQUJIGVDHC-UHFFFAOYSA-N 1 0 388.291 1.350 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659346979 654223615 /nfs/dbraw/zinc/22/36/15/654223615.db2.gz BHMFOLWVQCNOLV-HZPDHXFCSA-N 1 0 390.281 1.873 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[C@H]1F ZINC000659442361 654227211 /nfs/dbraw/zinc/22/72/11/654227211.db2.gz OEDCENXHQKDUNF-CHWSQXEVSA-N 1 0 387.253 1.858 20 0 GDADRO C[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000659510644 654227767 /nfs/dbraw/zinc/22/77/67/654227767.db2.gz RFTLNRNQDBJIHF-NWDGAFQWSA-N 1 0 398.305 1.261 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659519102 654228150 /nfs/dbraw/zinc/22/81/50/654228150.db2.gz FNMPCDVRUWSSKG-YPMHNXCESA-N 1 0 398.305 1.391 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659548113 654228923 /nfs/dbraw/zinc/22/89/23/654228923.db2.gz FAPUIIFWDUATLV-HOTGVXAUSA-N 1 0 398.301 1.911 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](O)COc1ccccc1Br ZINC000659623012 654230466 /nfs/dbraw/zinc/23/04/66/654230466.db2.gz ZHBLABMHRAEWTA-GXTWGEPZSA-N 1 0 388.306 1.861 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(Br)cn2)CCO1 ZINC000660156455 654242322 /nfs/dbraw/zinc/24/23/22/654242322.db2.gz GFRFVRJMGAEVOW-CYBMUJFWSA-N 1 0 392.319 1.575 20 0 GDADRO CO[C@H](CS(=O)(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000660158205 654242397 /nfs/dbraw/zinc/24/23/97/654242397.db2.gz VUZVBHJXYOZHKQ-ZWKOTPCHSA-N 1 0 376.563 1.954 20 0 GDADRO CC[N@H+](CCCNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC)C1CCCCC1 ZINC000661356200 654270551 /nfs/dbraw/zinc/27/05/51/654270551.db2.gz XZAGLIHJXYELQW-JKSUJKDBSA-N 1 0 375.535 1.142 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN1CCOC[C@H]1c1cccc(Br)c1 ZINC000661734803 654282457 /nfs/dbraw/zinc/28/24/57/654282457.db2.gz ZIQSNRXPMICJJV-SJORKVTESA-N 1 0 387.318 1.762 20 0 GDADRO COCCN(C(=O)C[NH2+][C@H](C)C1CCC(F)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000662003538 654285853 /nfs/dbraw/zinc/28/58/53/654285853.db2.gz RUIMBVAEPBTBOR-LMPOIIKSSA-N 1 0 378.510 1.155 20 0 GDADRO O=S(=O)(c1ccc(Cl)s1)N1CCCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662258637 654291085 /nfs/dbraw/zinc/29/10/85/654291085.db2.gz WEWHWJYPCQURKW-LBPRGKRZSA-N 1 0 379.935 1.086 20 0 GDADRO CC[C@@H]([NH2+]C)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000662339962 654293429 /nfs/dbraw/zinc/29/34/29/654293429.db2.gz RVMHPZQJLWUAOU-CYBMUJFWSA-N 1 0 394.324 1.824 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000662604060 654297460 /nfs/dbraw/zinc/29/74/60/654297460.db2.gz AANBEWAQPNFCRU-UHFFFAOYSA-N 1 0 383.392 1.059 20 0 GDADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)CC2 ZINC000662626115 654299000 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OC1(C[NH+]2CCOCC2)CCN(c2nnc3ccc(Br)cn32)CC1 ZINC000663780641 654353515 /nfs/dbraw/zinc/35/35/15/654353515.db2.gz KBPHLPZRZNBFMZ-UHFFFAOYSA-N 1 0 396.289 1.155 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000663885996 654359354 /nfs/dbraw/zinc/35/93/54/654359354.db2.gz KRRRWMIEUPKEIU-UHFFFAOYSA-N 1 0 383.290 1.899 20 0 GDADRO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000665385895 654405941 /nfs/dbraw/zinc/40/59/41/654405941.db2.gz LNHQBXNDXYJNFV-CZUORRHYSA-N 1 0 387.933 1.921 20 0 GDADRO C[C@H](CNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)[NH+](C)C ZINC000666243880 654420771 /nfs/dbraw/zinc/42/07/71/654420771.db2.gz PHJJFWBIUVXVKP-GFCCVEGCSA-N 1 0 395.301 1.586 20 0 GDADRO O=C(c1nc2ccc(Br)cn2n1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000666317343 654423537 /nfs/dbraw/zinc/42/35/37/654423537.db2.gz IOMUPGGNEPBWKS-UHFFFAOYSA-N 1 0 387.241 1.849 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000666319424 654424076 /nfs/dbraw/zinc/42/40/76/654424076.db2.gz 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655308408 /nfs/dbraw/zinc/30/84/08/655308408.db2.gz RFOBJZVYHDNHMA-ILXRZTDVSA-N 1 0 381.523 1.458 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000841096632 655308809 /nfs/dbraw/zinc/30/88/09/655308809.db2.gz ZWBOYWOXPVZCLI-SECBINFHSA-N 1 0 381.376 1.862 20 0 GDADRO CN(C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)[C@@H](C[NH3+])C1CC1 ZINC000841132467 655309561 /nfs/dbraw/zinc/30/95/61/655309561.db2.gz XZHTUGHUODNOPV-AWEZNQCLSA-N 1 0 389.905 1.964 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Nc1cccnc1Br ZINC000841151490 655310813 /nfs/dbraw/zinc/31/08/13/655310813.db2.gz LDLOFCAQQLFLJD-LLVKDONJSA-N 1 0 384.278 1.696 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccccc1SC(F)(F)F ZINC000841156390 655310967 /nfs/dbraw/zinc/31/09/67/655310967.db2.gz KHEXWVVHIAZLCQ-UHFFFAOYSA-N 1 0 376.404 1.258 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000841160574 655311168 /nfs/dbraw/zinc/31/11/68/655311168.db2.gz ITCQXELJXYUPQH-MRVPVSSYSA-N 1 0 375.654 1.694 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841159821 655311182 /nfs/dbraw/zinc/31/11/82/655311182.db2.gz MZCRLKJEUHONBS-SNVBAGLBSA-N 1 0 398.257 1.417 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cc2ccccc2nc1Br ZINC000841163879 655311605 /nfs/dbraw/zinc/31/16/05/655311605.db2.gz BICBRVMIWPLOLV-LLVKDONJSA-N 1 0 377.242 1.804 20 0 GDADRO Cc1c(NC(=O)C(=O)NCC[NH2+]C2CC2)cnc(Cl)c1Br ZINC000841166950 655311799 /nfs/dbraw/zinc/31/17/99/655311799.db2.gz YHRNKAHNAPMDNH-UHFFFAOYSA-N 1 0 375.654 1.613 20 0 GDADRO O=C(Nc1ccc(Br)nc1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000841198680 655313630 /nfs/dbraw/zinc/31/36/30/655313630.db2.gz XIXSCECVEUSFAD-CYBMUJFWSA-N 1 0 381.274 1.773 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)n2)CC1 ZINC000841203652 655313985 /nfs/dbraw/zinc/31/39/85/655313985.db2.gz MKSFGSJVUVSGCW-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)[C@@H](C)C[NH2+]1 ZINC000841207073 655314032 /nfs/dbraw/zinc/31/40/32/655314032.db2.gz GMOIDPCJFRJNRG-ZJUUUORDSA-N 1 0 398.257 1.368 20 0 GDADRO Cn1ncc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1I ZINC000816074583 655314869 /nfs/dbraw/zinc/31/48/69/655314869.db2.gz BRACYXPFTAGQCU-ZJUUUORDSA-N 1 0 375.210 1.808 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1)C1CC1 ZINC000768168084 655315371 /nfs/dbraw/zinc/31/53/71/655315371.db2.gz SRCBREVHBXOSMN-NSHDSACASA-N 1 0 389.681 1.892 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000841230413 655315973 /nfs/dbraw/zinc/31/59/73/655315973.db2.gz VBGLUIGULRDXGM-GFCCVEGCSA-N 1 0 384.933 1.946 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000841250892 655317538 /nfs/dbraw/zinc/31/75/38/655317538.db2.gz WEWNKUREPNJUBZ-UHFFFAOYSA-N 1 0 381.274 1.693 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000841260606 655318110 /nfs/dbraw/zinc/31/81/10/655318110.db2.gz WOAMZIPOSWDEQC-NWDGAFQWSA-N 1 0 381.274 1.631 20 0 GDADRO Cn1ncc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1I ZINC000816547309 655328784 /nfs/dbraw/zinc/32/87/84/655328784.db2.gz RYTOAVUJABMJGV-UHFFFAOYSA-N 1 0 388.253 1.771 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)c1nc(Br)ccc1Br ZINC000816617743 655330217 /nfs/dbraw/zinc/33/02/17/655330217.db2.gz HNYBGIMKJHZYBC-ZETCQYMHSA-N 1 0 381.068 1.259 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc2sc(Cl)nc2c1)N1CC[NH+](C)CC1 ZINC000841497681 655330521 /nfs/dbraw/zinc/33/05/21/655330521.db2.gz ZBROLTYXYGPXMB-LLVKDONJSA-N 1 0 388.946 1.864 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc3scnc32)CC1 ZINC000841499419 655330817 /nfs/dbraw/zinc/33/08/17/655330817.db2.gz XDQSYCKJGALWJX-AWEZNQCLSA-N 1 0 382.555 1.848 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)c(F)cc1Cl ZINC000841517464 655334948 /nfs/dbraw/zinc/33/49/48/655334948.db2.gz WNSDPQQVNIINJA-PHIMTYICSA-N 1 0 390.864 1.838 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccnc3S(=O)(=O)C(F)(F)F)C2)C1 ZINC000817043983 655341345 /nfs/dbraw/zinc/34/13/45/655341345.db2.gz VSKGBHSWCHSMNO-AWEZNQCLSA-N 1 0 377.388 1.543 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Nc2cc(C)cnc2Br)CC[N@H+](C)C1 ZINC000841721054 655352648 /nfs/dbraw/zinc/35/26/48/655352648.db2.gz QLNYXFLEZZGYDV-NSHDSACASA-N 1 0 385.262 1.721 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(S(=O)(=O)C(F)F)c2)CC1 ZINC000817512055 655353112 /nfs/dbraw/zinc/35/31/12/655353112.db2.gz BFTMLPYESQQRTI-UHFFFAOYSA-N 1 0 375.441 1.002 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000841808395 655353921 /nfs/dbraw/zinc/35/39/21/655353921.db2.gz KRVDPCTZCMRMMD-RYUDHWBXSA-N 1 0 386.440 1.117 20 0 GDADRO C[C@@]1(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1(Cl)Cl ZINC000841911237 655354555 /nfs/dbraw/zinc/35/45/55/655354555.db2.gz SBNVUDKGWJWMBC-WFASDCNBSA-N 1 0 377.316 1.424 20 0 GDADRO COC(=O)c1ccc(CNC(=O)NCC2=CC[NH2+]CC2)c(Br)c1 ZINC000841971867 655354851 /nfs/dbraw/zinc/35/48/51/655354851.db2.gz NCAFPIVGMRSTGI-UHFFFAOYSA-N 1 0 382.258 1.955 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NC[C@@H](O)c1cccc(Br)c1 ZINC000841920935 655354928 /nfs/dbraw/zinc/35/49/28/655354928.db2.gz ZYFQWIMFEUDSQB-OAHLLOKOSA-N 1 0 385.306 1.077 20 0 GDADRO COC[C@@]1(CNC(=O)NC[C@@H](O)c2cccc(Br)c2)CCC[NH2+]1 ZINC000841995660 655355000 /nfs/dbraw/zinc/35/50/00/655355000.db2.gz SUWDUWOGDCLUPK-ZBFHGGJFSA-N 1 0 386.290 1.550 20 0 GDADRO COC(=O)c1ccc(CNC(=O)NC[C@H]2C[NH2+]CCO2)c(Br)c1 ZINC000842012529 655355113 /nfs/dbraw/zinc/35/51/13/655355113.db2.gz XRXFIVJROMKDQI-GFCCVEGCSA-N 1 0 386.246 1.023 20 0 GDADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000842182943 655357903 /nfs/dbraw/zinc/35/79/03/655357903.db2.gz JWSVRRDAICGNTR-AEAUEXCSSA-N 1 0 379.551 1.818 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842208514 655358782 /nfs/dbraw/zinc/35/87/82/655358782.db2.gz VXRRHOKXERGJRK-UHFFFAOYSA-N 1 0 382.770 1.123 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000842216881 655359390 /nfs/dbraw/zinc/35/93/90/655359390.db2.gz PXCZBRNLTADRGN-ZDUSSCGKSA-N 1 0 388.281 1.737 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000842217613 655359535 /nfs/dbraw/zinc/35/95/35/655359535.db2.gz YDBAMDRNAZHSMI-KGLIPLIRSA-N 1 0 398.276 1.600 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1)C1CC1 ZINC000842226103 655359748 /nfs/dbraw/zinc/35/97/48/655359748.db2.gz FXCCURZVJPZIHG-HUUCEWRRSA-N 1 0 396.285 1.203 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000842251132 655360295 /nfs/dbraw/zinc/36/02/95/655360295.db2.gz NKOJHAMYELGRCY-CABCVRRESA-N 1 0 398.301 1.449 20 0 GDADRO O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000817839752 655360519 /nfs/dbraw/zinc/36/05/19/655360519.db2.gz QSFBYKLMFOWRTP-KFWWJZLASA-N 1 0 376.507 1.446 20 0 GDADRO COC[C@]1(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)CC[NH2+]C1 ZINC000817928143 655362528 /nfs/dbraw/zinc/36/25/28/655362528.db2.gz QUJCSODGKCLQEM-WBVHZDCISA-N 1 0 383.286 1.975 20 0 GDADRO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817983676 655363331 /nfs/dbraw/zinc/36/33/31/655363331.db2.gz IBEDTHRNTFSXKT-DZGCQCFKSA-N 1 0 389.543 1.205 20 0 GDADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000817989246 655363475 /nfs/dbraw/zinc/36/34/75/655363475.db2.gz MFPAYWHHVYNBQD-DOMZBBRYSA-N 1 0 398.301 1.138 20 0 GDADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000817989249 655363490 /nfs/dbraw/zinc/36/34/90/655363490.db2.gz MFPAYWHHVYNBQD-SWLSCSKDSA-N 1 0 398.301 1.138 20 0 GDADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000817989428 655363621 /nfs/dbraw/zinc/36/36/21/655363621.db2.gz LGEJJSCSSYHZOC-HUUCEWRRSA-N 1 0 398.301 1.281 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000817993136 655363742 /nfs/dbraw/zinc/36/37/42/655363742.db2.gz ZWFXOTPXXKHBTI-DOMZBBRYSA-N 1 0 398.301 1.009 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000817992517 655363804 /nfs/dbraw/zinc/36/38/04/655363804.db2.gz KNGFOBSKPUVPOI-IUODEOHRSA-N 1 0 396.285 1.299 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000817996229 655364071 /nfs/dbraw/zinc/36/40/71/655364071.db2.gz XBKVCTLLQJNPRB-AWEZNQCLSA-N 1 0 386.290 1.009 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)ccc1Cl ZINC000818002661 655364218 /nfs/dbraw/zinc/36/42/18/655364218.db2.gz BYAAPFMACGYBOR-CYBMUJFWSA-N 1 0 377.894 1.625 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC(C)(C)CC[NH3+])ccc1Br ZINC000818020812 655364876 /nfs/dbraw/zinc/36/48/76/655364876.db2.gz LSTODZOTIRZXHD-UHFFFAOYSA-N 1 0 392.319 1.557 20 0 GDADRO C[C@H]1CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C[C@@H]1C[NH3+] ZINC000842478699 655366632 /nfs/dbraw/zinc/36/66/32/655366632.db2.gz NGNAWESYWBMGTH-RYUDHWBXSA-N 1 0 375.441 1.538 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)ccc1Cl ZINC000842480473 655366903 /nfs/dbraw/zinc/36/69/03/655366903.db2.gz XQLBYRFYVMKDQV-GXFFZTMASA-N 1 0 378.903 1.116 20 0 GDADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000842481245 655367050 /nfs/dbraw/zinc/36/70/50/655367050.db2.gz HXGHQYCXNVXJAS-LLVKDONJSA-N 1 0 385.873 1.554 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c(Br)cc1F ZINC000842690347 655371441 /nfs/dbraw/zinc/37/14/41/655371441.db2.gz TVKGHMCZICBMKH-MRVPVSSYSA-N 1 0 395.250 1.405 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCC[C@H](C)[NH3+])c1 ZINC000842702684 655372116 /nfs/dbraw/zinc/37/21/16/655372116.db2.gz JOEMQFYWJXZZKP-NSHDSACASA-N 1 0 397.950 1.386 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)C1 ZINC000842710931 655372779 /nfs/dbraw/zinc/37/27/79/655372779.db2.gz UBTNHJOFNNJOBI-SECBINFHSA-N 1 0 381.267 1.827 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CCC[C@@H]2C[NH3+])s1 ZINC000842732543 655374234 /nfs/dbraw/zinc/37/42/34/655374234.db2.gz MVKMPLFTVNGGTE-SSDOTTSWSA-N 1 0 383.289 1.409 20 0 GDADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000842744833 655374842 /nfs/dbraw/zinc/37/48/42/655374842.db2.gz WZHHHIDHLMMJMG-QMTHXVAHSA-N 1 0 385.873 1.634 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000842744355 655374856 /nfs/dbraw/zinc/37/48/56/655374856.db2.gz RADBFQOKNOYYKZ-YMTOWFKASA-N 1 0 391.287 1.388 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000818562790 655376390 /nfs/dbraw/zinc/37/63/90/655376390.db2.gz AAPSSFFWEDVDLD-NSHDSACASA-N 1 0 387.299 1.819 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818563835 655376466 /nfs/dbraw/zinc/37/64/66/655376466.db2.gz SQMPLIZRRRPHEA-ZJUUUORDSA-N 1 0 375.288 1.662 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000842788967 655377032 /nfs/dbraw/zinc/37/70/32/655377032.db2.gz NPGOUKQCOUWTLX-SFYZADRCSA-N 1 0 397.316 1.655 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC[NH3+])c(F)cc1Br ZINC000842791229 655377261 /nfs/dbraw/zinc/37/72/61/655377261.db2.gz SJGMBCIYRHVRRH-ZETCQYMHSA-N 1 0 383.239 1.390 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000842799762 655378012 /nfs/dbraw/zinc/37/80/12/655378012.db2.gz UDZWQSOVDLELKS-PHIMTYICSA-N 1 0 395.934 1.139 20 0 GDADRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000842803094 655378296 /nfs/dbraw/zinc/37/82/96/655378296.db2.gz GHHGHZIQKOLLNV-ABAIWWIYSA-N 1 0 378.491 1.415 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842829887 655380155 /nfs/dbraw/zinc/38/01/55/655380155.db2.gz IJBMNTRGJIULLD-VHSXEESVSA-N 1 0 386.417 1.256 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)ccc1Br ZINC000842835746 655380423 /nfs/dbraw/zinc/38/04/23/655380423.db2.gz ZVCIRTCWWRWMIA-OTYXRUKQSA-N 1 0 375.288 1.928 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000842850133 655380826 /nfs/dbraw/zinc/38/08/26/655380826.db2.gz KMAAZFJAMRMHKD-KRWDZBQOSA-N 1 0 385.917 1.806 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C(F)F ZINC000842849805 655380845 /nfs/dbraw/zinc/38/08/45/655380845.db2.gz FKEPUTCFATWOLV-HNNXBMFYSA-N 1 0 394.465 1.447 20 0 GDADRO COC[C@]1(CNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CCC[NH2+]1 ZINC000842859425 655381382 /nfs/dbraw/zinc/38/13/82/655381382.db2.gz LZIBDJLYJWOBCT-OAHLLOKOSA-N 1 0 376.862 1.174 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2cc(OC)ccc2OC)s1 ZINC000818947050 655381996 /nfs/dbraw/zinc/38/19/96/655381996.db2.gz BJVHTJRBDOLKSE-AWEZNQCLSA-N 1 0 386.495 1.497 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC12CCOCC2 ZINC000842894438 655383344 /nfs/dbraw/zinc/38/33/44/655383344.db2.gz GWZFIVMTDSLXDK-LBPRGKRZSA-N 1 0 384.889 1.364 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819036467 655383582 /nfs/dbraw/zinc/38/35/82/655383582.db2.gz BPMNARSOXWKDPJ-MRXNPFEDSA-N 1 0 398.301 1.153 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000819047681 655383807 /nfs/dbraw/zinc/38/38/07/655383807.db2.gz YONRGKFUCOWCTE-OAHLLOKOSA-N 1 0 390.933 1.178 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccccc1Br)NCC1CCC1 ZINC000819049769 655383985 /nfs/dbraw/zinc/38/39/85/655383985.db2.gz XAXWKIBIERBWGZ-HNNXBMFYSA-N 1 0 391.331 1.792 20 0 GDADRO O[C@@H](C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000819078211 655384694 /nfs/dbraw/zinc/38/46/94/655384694.db2.gz UQMGJGMKOWBQQB-MSOLQXFVSA-N 1 0 398.345 1.479 20 0 GDADRO O[C@H](C[NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000819076480 655384770 /nfs/dbraw/zinc/38/47/70/655384770.db2.gz CWEPDTPDFVXECJ-ZWKOTPCHSA-N 1 0 398.345 1.479 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O)CC1 ZINC000819130362 655386711 /nfs/dbraw/zinc/38/67/11/655386711.db2.gz AXQDAOKHWVTLRW-CQSZACIVSA-N 1 0 378.535 1.407 20 0 GDADRO COCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)CC2 ZINC000819152753 655387015 /nfs/dbraw/zinc/38/70/15/655387015.db2.gz AZEBNKYFIXFGKE-BXUZGUMPSA-N 1 0 399.264 1.964 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@@H](O)c2cc(F)ccc2F)CC1)C(F)(F)F ZINC000819151159 655387038 /nfs/dbraw/zinc/38/70/38/655387038.db2.gz YYICELQBDCTKKB-CYBMUJFWSA-N 1 0 388.358 1.902 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)CC1 ZINC000819172168 655387431 /nfs/dbraw/zinc/38/74/31/655387431.db2.gz VUMODINHRQLHLZ-LSDHHAIUSA-N 1 0 376.519 1.161 20 0 GDADRO CS(=O)(=O)c1cc(NC(=O)C(=O)NCCCCCC[NH3+])ccc1Cl ZINC000843053256 655387443 /nfs/dbraw/zinc/38/74/43/655387443.db2.gz ZTTAMASURYEVBO-UHFFFAOYSA-N 1 0 375.878 1.317 20 0 GDADRO Cn1nc(Br)cc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843058060 655387678 /nfs/dbraw/zinc/38/76/78/655387678.db2.gz OEWYUEWLCIPVPO-TZMCWYRMSA-N 1 0 384.322 1.263 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000843065278 655387713 /nfs/dbraw/zinc/38/77/13/655387713.db2.gz KMXQPVARYYZZGY-AWEZNQCLSA-N 1 0 377.890 1.720 20 0 GDADRO Cn1cc(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)c(C(F)(F)F)n1 ZINC000819182508 655387794 /nfs/dbraw/zinc/38/77/94/655387794.db2.gz FMAMLLZCMBSUFC-CYBMUJFWSA-N 1 0 377.388 1.666 20 0 GDADRO CS(=O)(=O)CC[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000819189702 655388078 /nfs/dbraw/zinc/38/80/78/655388078.db2.gz VDBBYGVRXKZIIR-UHFFFAOYSA-N 1 0 378.491 1.003 20 0 GDADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)CCO2 ZINC000819210431 655388215 /nfs/dbraw/zinc/38/82/15/655388215.db2.gz VXFQBSFNMZLWJM-MAZHCROVSA-N 1 0 377.865 1.838 20 0 GDADRO C[C@](O)(C[NH2+]CCN1CCNC(=O)C1)c1ccc(Br)cc1Cl ZINC000819218506 655388216 /nfs/dbraw/zinc/38/82/16/655388216.db2.gz HTCXYRKBSMTHBM-HNNXBMFYSA-N 1 0 390.709 1.331 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000819255986 655388836 /nfs/dbraw/zinc/38/88/36/655388836.db2.gz FUPNEKZYXCKLKW-CQSZACIVSA-N 1 0 389.520 1.378 20 0 GDADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)s1)C(=O)OC(C)(C)C ZINC000819257538 655388849 /nfs/dbraw/zinc/38/88/49/655388849.db2.gz WYFIOOIXPBOJOL-NSHDSACASA-N 1 0 378.516 1.469 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C[C@H](O)C2CC2)c1 ZINC000819310176 655389545 /nfs/dbraw/zinc/38/95/45/655389545.db2.gz GQYIIPWDZNEKQC-ZDUSSCGKSA-N 1 0 377.304 1.396 20 0 GDADRO CN(C[C@@H](O)C[NH2+]CCCn1cc(Br)cn1)C(=O)OC(C)(C)C ZINC000819315316 655389755 /nfs/dbraw/zinc/38/97/55/655389755.db2.gz WNWDQDRDZNZYSW-ZDUSSCGKSA-N 1 0 391.310 1.853 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CC1 ZINC000819369748 655390678 /nfs/dbraw/zinc/39/06/78/655390678.db2.gz MPLQZPDUJJXWAB-GFCCVEGCSA-N 1 0 378.288 1.356 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]CCCCS(C)(=O)=O)CC1 ZINC000819382625 655390846 /nfs/dbraw/zinc/39/08/46/655390846.db2.gz PHSUNMNJCYTAKC-HNNXBMFYSA-N 1 0 378.535 1.409 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)C1 ZINC000843289471 655390971 /nfs/dbraw/zinc/39/09/71/655390971.db2.gz XBROCZPZQWNCAY-MRVPVSSYSA-N 1 0 396.332 1.230 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)[C@H]1C[NH3+] ZINC000843346234 655393227 /nfs/dbraw/zinc/39/32/27/655393227.db2.gz KXAPFRNCMZQLDO-SFYZADRCSA-N 1 0 396.332 1.357 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843355938 655393639 /nfs/dbraw/zinc/39/36/39/655393639.db2.gz NPUNFUHJHTYJAW-UHFFFAOYSA-N 1 0 382.511 1.355 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843399618 655394298 /nfs/dbraw/zinc/39/42/98/655394298.db2.gz IUICDFPMFQAGSH-UONOGXRCSA-N 1 0 376.519 1.161 20 0 GDADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843438788 655394888 /nfs/dbraw/zinc/39/48/88/655394888.db2.gz CLDCKVKJZBOVIW-CYBMUJFWSA-N 1 0 390.889 1.471 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H](O)COc1ccccc1Br ZINC000843445719 655395109 /nfs/dbraw/zinc/39/51/09/655395109.db2.gz FGZAVIJOCYSJSB-QWHCGFSZSA-N 1 0 387.274 1.074 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843453457 655395295 /nfs/dbraw/zinc/39/52/95/655395295.db2.gz QXHRKVINZUKZRO-QWRGUYRKSA-N 1 0 380.495 1.107 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)[C@H]1C ZINC000843474276 655396070 /nfs/dbraw/zinc/39/60/70/655396070.db2.gz VWQRFIKXBAVULK-MNOVXSKESA-N 1 0 380.495 1.121 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843477911 655396263 /nfs/dbraw/zinc/39/62/63/655396263.db2.gz CBUZWHCNXUMGFY-NSHDSACASA-N 1 0 382.511 1.545 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)sc1Br ZINC000843480211 655396459 /nfs/dbraw/zinc/39/64/59/655396459.db2.gz XWKCPGJXFUJHOV-SECBINFHSA-N 1 0 394.316 1.030 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000843499905 655397088 /nfs/dbraw/zinc/39/70/88/655397088.db2.gz PARTZQGYAHUYNF-CYBMUJFWSA-N 1 0 395.257 1.884 20 0 GDADRO COCC(C)(C)[NH+]1CCN(c2ncnc3c2c(Br)nn3C)CC1 ZINC000819944228 655400241 /nfs/dbraw/zinc/40/02/41/655400241.db2.gz XMISVOXKVMLEBG-UHFFFAOYSA-N 1 0 383.294 1.673 20 0 GDADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000843786058 655400595 /nfs/dbraw/zinc/40/05/95/655400595.db2.gz UNBAMRHSUPYPLI-UHFFFAOYSA-N 1 0 381.523 1.658 20 0 GDADRO C[NH+](C)CCCCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843797370 655400961 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CCO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@H]1C[NH3+] ZINC000846230694 655450151 /nfs/dbraw/zinc/45/01/51/655450151.db2.gz ABNGFAZMGGBANA-TZMCWYRMSA-N 1 0 389.905 1.026 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc(F)c1F ZINC000846230702 655450158 /nfs/dbraw/zinc/45/01/58/655450158.db2.gz HSEVJQPUQRLNCJ-HZMBPMFUSA-N 1 0 376.425 1.889 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846255583 655451067 /nfs/dbraw/zinc/45/10/67/655451067.db2.gz IVJCGHKIUDJUGI-SJORKVTESA-N 1 0 377.888 1.377 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CO)CCSCC1 ZINC000846254944 655451069 /nfs/dbraw/zinc/45/10/69/655451069.db2.gz BHXJFWHXLBLTSU-ZDUSSCGKSA-N 1 0 375.535 1.206 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846260778 655451198 /nfs/dbraw/zinc/45/11/98/655451198.db2.gz CKZZXJHMAVQYII-IRXDYDNUSA-N 1 0 377.888 1.113 20 0 GDADRO [NH3+][C@H]1CCc2ncc(NC(=O)C(=O)NCCC[C@H]3CC3(Cl)Cl)cc2C1 ZINC000846322984 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O=C(N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(F)(F)c1cccc(Br)c1 ZINC000824298643 655473841 /nfs/dbraw/zinc/47/38/41/655473841.db2.gz YKRBOQUTLTVHKT-QWHCGFSZSA-N 1 0 375.213 1.818 20 0 GDADRO C[C@@H]1C[C@@H](C[NH2+]C2CC(NS(C)(=O)=O)C2)CCN1C(=O)OC(C)(C)C ZINC000824344765 655474383 /nfs/dbraw/zinc/47/43/83/655474383.db2.gz TXRWSVKEQFDECG-DNDYEEKYSA-N 1 0 375.535 1.692 20 0 GDADRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000824608575 655477932 /nfs/dbraw/zinc/47/79/32/655477932.db2.gz JPSKMNQKNNBPGO-CPUCHLNUSA-N 1 0 376.519 1.304 20 0 GDADRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000824608574 655477957 /nfs/dbraw/zinc/47/79/57/655477957.db2.gz JPSKMNQKNNBPGO-CKEIUWERSA-N 1 0 376.519 1.304 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824677500 655478966 /nfs/dbraw/zinc/47/89/66/655478966.db2.gz DWKYHMDTUBUYLJ-RBSFLKMASA-N 1 0 377.551 1.939 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1csc(I)n1 ZINC000824740908 655479906 /nfs/dbraw/zinc/47/99/06/655479906.db2.gz LZRQCNIMUOYGRI-IUCAKERBSA-N 1 0 393.250 1.341 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1nccn2c(Br)cnc12 ZINC000848025486 655480659 /nfs/dbraw/zinc/48/06/59/655480659.db2.gz VNMWGBWVZHZDHH-NSHDSACASA-N 1 0 384.278 1.314 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)ccc1Cl ZINC000825168363 655484997 /nfs/dbraw/zinc/48/49/97/655484997.db2.gz HPPHKXJQVFYHPW-CQSZACIVSA-N 1 0 389.905 1.640 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000825188124 655485442 /nfs/dbraw/zinc/48/54/42/655485442.db2.gz GTFPIKSHBPIILK-OLZOCXBDSA-N 1 0 385.917 1.982 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccncc2Br)cn1 ZINC000825221683 655485988 /nfs/dbraw/zinc/48/59/88/655485988.db2.gz CZMPKUOAHPCVCF-CABCVRRESA-N 1 0 392.301 1.929 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000825240152 655486546 /nfs/dbraw/zinc/48/65/46/655486546.db2.gz HYQFHZBMBAGUOK-WBMJQRKESA-N 1 0 385.917 1.803 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000825250390 655486733 /nfs/dbraw/zinc/48/67/33/655486733.db2.gz ZYOHEJMPBUEZBY-ABAIWWIYSA-N 1 0 385.917 1.851 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848350335 655488042 /nfs/dbraw/zinc/48/80/42/655488042.db2.gz PQORYPAHNZXQTR-CVEARBPZSA-N 1 0 385.917 1.995 20 0 GDADRO [NH3+]C[C@@H](NC(=O)c1cn(-c2ccccc2Br)nn1)C(F)(F)F ZINC000848438300 655489988 /nfs/dbraw/zinc/48/99/88/655489988.db2.gz IKAXNXQKCHPLNC-SNVBAGLBSA-N 1 0 378.152 1.649 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc(Br)ncc1Cl ZINC000825617389 655491915 /nfs/dbraw/zinc/49/19/15/655491915.db2.gz GEUSNGPNMKMXGW-UHFFFAOYSA-N 1 0 375.654 1.001 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N=c1sccn1Cc1ccccc1Cl ZINC000826555545 655498752 /nfs/dbraw/zinc/49/87/52/655498752.db2.gz UMZVUBOOLXFEBB-AWEZNQCLSA-N 1 0 378.885 1.547 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1=O ZINC000826702173 655500260 /nfs/dbraw/zinc/50/02/60/655500260.db2.gz DUBUSDDSHAWBDV-GFCCVEGCSA-N 1 0 386.290 1.331 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC[C@@H]21 ZINC000827331077 655509092 /nfs/dbraw/zinc/50/90/92/655509092.db2.gz VTNHVAPWHRVWQE-ILXRZTDVSA-N 1 0 383.539 1.454 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1Cl ZINC000827367074 655509764 /nfs/dbraw/zinc/50/97/64/655509764.db2.gz QNNRUHDYIIRAFF-UKRRQHHQSA-N 1 0 385.917 1.757 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)c3c(F)cncc3Br)CC2)CC1 ZINC000827425650 655510979 /nfs/dbraw/zinc/51/09/79/655510979.db2.gz NSUVHDYIYKPYEA-UHFFFAOYSA-N 1 0 385.281 1.835 20 0 GDADRO CC(=O)N1CCO[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000827460159 655511769 /nfs/dbraw/zinc/51/17/69/655511769.db2.gz VRCLTSQXAJFAMP-CVEARBPZSA-N 1 0 388.295 1.960 20 0 GDADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)NCC[N@H+]1CC[C@@H](O)C1 ZINC000827528775 655512727 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Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cc(Br)ccn2)cn1 ZINC000849613462 655542712 /nfs/dbraw/zinc/54/27/12/655542712.db2.gz RMPVBPDZSGQJAC-HOTGVXAUSA-N 1 0 392.301 1.929 20 0 GDADRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000850361553 655553071 /nfs/dbraw/zinc/55/30/71/655553071.db2.gz TWWMKSIQHUHHHP-WUCCLRPBSA-N 1 0 376.519 1.472 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1cncc(Br)c1 ZINC000850442744 655555180 /nfs/dbraw/zinc/55/51/80/655555180.db2.gz KYAZWFTWAOIXQS-LLVKDONJSA-N 1 0 378.292 1.157 20 0 GDADRO C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000850490663 655556387 /nfs/dbraw/zinc/55/63/87/655556387.db2.gz FFKKRVNRKAACEJ-BGJPBQGDSA-N 1 0 386.461 1.899 20 0 GDADRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850495751 655556598 /nfs/dbraw/zinc/55/65/98/655556598.db2.gz IBNHEZOBPCIDAP-SSINHNECSA-N 1 0 376.400 1.962 20 0 GDADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850517940 655557103 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20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850823578 655568905 /nfs/dbraw/zinc/56/89/05/655568905.db2.gz MQYIGHBBRMFPTL-SECBINFHSA-N 1 0 384.893 1.769 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCc2ccc(Br)cc2F)n1 ZINC000851657182 655590097 /nfs/dbraw/zinc/59/00/97/655590097.db2.gz XJVMZXBHCLIXMW-UHFFFAOYSA-N 1 0 398.236 1.584 20 0 GDADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 ZINC000851672352 655590234 /nfs/dbraw/zinc/59/02/34/655590234.db2.gz DOBFMPFTFCIQCY-GFCCVEGCSA-N 1 0 385.452 1.383 20 0 GDADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000851852799 655599926 /nfs/dbraw/zinc/59/99/26/655599926.db2.gz PWKUUUFDAROFMH-LLVKDONJSA-N 1 0 380.297 1.608 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cncc(Br)c2)CCO1 ZINC000851887604 655602550 /nfs/dbraw/zinc/60/25/50/655602550.db2.gz XVXAGZORBDGTHI-CYBMUJFWSA-N 1 0 392.319 1.575 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000851893146 655603122 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GDADRO CS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472533 655616340 /nfs/dbraw/zinc/61/63/40/655616340.db2.gz DXJLVVGUWZSKEW-CHWSQXEVSA-N 1 0 385.452 1.191 20 0 GDADRO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cnnn1C1CC[NH2+]CC1 ZINC000852809147 655623214 /nfs/dbraw/zinc/62/32/14/655623214.db2.gz ARVNCWIMOYVTID-AWEZNQCLSA-N 1 0 384.267 1.973 20 0 GDADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852835884 655623854 /nfs/dbraw/zinc/62/38/54/655623854.db2.gz NLNVDBCFXFSFIM-MRVPVSSYSA-N 1 0 380.348 1.119 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852836475 655624004 /nfs/dbraw/zinc/62/40/04/655624004.db2.gz AETFACIGIQWKMD-LBPRGKRZSA-N 1 0 397.273 1.017 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)=NO1 ZINC000852861576 655624582 /nfs/dbraw/zinc/62/45/82/655624582.db2.gz GGXJULFJDPPOEC-RISCZKNCSA-N 1 0 381.274 1.495 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)=NO1 ZINC000852905590 655626956 /nfs/dbraw/zinc/62/69/56/655626956.db2.gz WTUBILAIORLXCU-JTQLQIEISA-N 1 0 377.242 1.919 20 0 GDADRO C[C@@H]([NH2+]CCOCCF)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000853238943 655637141 /nfs/dbraw/zinc/63/71/41/655637141.db2.gz VSSIFCORBQTDAJ-GFCCVEGCSA-N 1 0 382.479 1.049 20 0 GDADRO O=C1CCC2=C(CC[N@@H+](Cn3nc(Br)c(=O)c4ccccc43)C2)N1 ZINC000853521072 655641169 /nfs/dbraw/zinc/64/11/69/655641169.db2.gz WLADMPXRCFKPPL-UHFFFAOYSA-N 1 0 389.253 1.986 20 0 GDADRO COCCNc1nn(CN2CCO[C@@H](CCC[NH+](C)C)C2)c(=S)s1 ZINC000853625634 655645859 /nfs/dbraw/zinc/64/58/59/655645859.db2.gz XUMVBISQYHGCSH-ZDUSSCGKSA-N 1 0 375.564 1.732 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1(Br)Br ZINC000854743390 655675808 /nfs/dbraw/zinc/67/58/08/655675808.db2.gz KMSKNHRCDGLZRR-JQWIXIFHSA-N 1 0 398.139 1.846 20 0 GDADRO CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)[C@H]1CC[N@H+](C)C1 ZINC000855363343 655692597 /nfs/dbraw/zinc/69/25/97/655692597.db2.gz SMIKLIUATMYTOD-ZDUSSCGKSA-N 1 0 389.905 1.688 20 0 GDADRO C[C@@H](CCNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F)[NH+](C)C ZINC000855410023 655693496 /nfs/dbraw/zinc/69/34/96/655693496.db2.gz AISNLTWXGLNDLU-JTQLQIEISA-N 1 0 375.441 1.476 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(Br)nc2n1CCCC2 ZINC000856098803 655707831 /nfs/dbraw/zinc/70/78/31/655707831.db2.gz TYEXQVRTPZASKF-ZDUSSCGKSA-N 1 0 397.317 1.965 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856819721 655719727 /nfs/dbraw/zinc/71/97/27/655719727.db2.gz YYRKZHOWTGGCNI-YOEHRIQHSA-N 1 0 375.535 1.647 20 0 GDADRO C[NH+](C)CCOCCNC(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856886452 655721352 /nfs/dbraw/zinc/72/13/52/655721352.db2.gz JRLAGEXCJMDFHA-UHFFFAOYSA-N 1 0 386.290 1.240 20 0 GDADRO C[NH+](C)C1CC(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000857231243 655731592 /nfs/dbraw/zinc/73/15/92/655731592.db2.gz BCENVMRMUQUKTG-UHFFFAOYSA-N 1 0 394.269 1.644 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857714474 655739749 /nfs/dbraw/zinc/73/97/49/655739749.db2.gz PPABLLSNMWVTQL-NEPJUHHUSA-N 1 0 383.290 1.732 20 0 GDADRO Cn1cc(CNCc2ccc(N3CC[NH+](C)CC3)nc2)c(Br)n1 ZINC000858096249 655744319 /nfs/dbraw/zinc/74/43/19/655744319.db2.gz XTGIPDIBXQIMCI-UHFFFAOYSA-N 1 0 379.306 1.619 20 0 GDADRO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858322519 655747293 /nfs/dbraw/zinc/74/72/93/655747293.db2.gz YUCXMBGOJWFFGQ-UHFFFAOYSA-N 1 0 385.848 1.877 20 0 GDADRO CN(C)S(=O)(=O)N1CC([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000858572609 655749454 /nfs/dbraw/zinc/74/94/54/655749454.db2.gz VALZSFWYPZKUOR-UHFFFAOYSA-N 1 0 388.331 1.775 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000858632465 655751461 /nfs/dbraw/zinc/75/14/61/655751461.db2.gz UOAHITYNGDAVGO-MWLCHTKSSA-N 1 0 391.287 1.655 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C[C@H](C)[NH3+])c1 ZINC000858642306 655751916 /nfs/dbraw/zinc/75/19/16/655751916.db2.gz JWGDCDAPOJSLHO-NSHDSACASA-N 1 0 397.950 1.338 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccc(Br)nc1F ZINC000859003850 655759023 /nfs/dbraw/zinc/75/90/23/655759023.db2.gz YVHLWPGMDPNXPQ-UHFFFAOYSA-N 1 0 396.282 1.108 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Br)nc1F ZINC000859016653 655759582 /nfs/dbraw/zinc/75/95/82/655759582.db2.gz UTVQLABKHXYNQD-VHSXEESVSA-N 1 0 380.283 1.944 20 0 GDADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000859229056 655770542 /nfs/dbraw/zinc/77/05/42/655770542.db2.gz WPFLGPYOBDBYQA-LBPRGKRZSA-N 1 0 379.404 1.950 20 0 GDADRO O=C(Nc1cc(Cl)c(Cl)cn1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000859677304 655788658 /nfs/dbraw/zinc/78/86/58/655788658.db2.gz KCZPHAAJVLTYGR-UHFFFAOYSA-N 1 0 387.271 1.563 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccc(Br)cc1)OCC[NH+]1CCC1 ZINC000861387674 655820647 /nfs/dbraw/zinc/82/06/47/655820647.db2.gz JUHFBEAGRPCIEG-UHFFFAOYSA-N 1 0 391.287 1.366 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000861511509 655824135 /nfs/dbraw/zinc/82/41/35/655824135.db2.gz HJYZHHSPYNMQPH-UHFFFAOYSA-N 1 0 394.067 1.352 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861541546 655825379 /nfs/dbraw/zinc/82/53/79/655825379.db2.gz DLOGZZFCQTUCQU-ZETCQYMHSA-N 1 0 390.209 1.119 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000861540175 655825409 /nfs/dbraw/zinc/82/54/09/655825409.db2.gz SIFMUTSZXXAMFW-SNVBAGLBSA-N 1 0 380.246 1.379 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000861541724 655825439 /nfs/dbraw/zinc/82/54/39/655825439.db2.gz GNILHNFRNZYELY-LLVKDONJSA-N 1 0 394.273 1.438 20 0 GDADRO Cc1ncc(CCNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000861733244 655829311 /nfs/dbraw/zinc/82/93/11/655829311.db2.gz VCSSIVORWMQLOV-PWSUYJOCSA-N 1 0 378.420 1.096 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(Br)cc2F)C[NH2+]1 ZINC000861771963 655830329 /nfs/dbraw/zinc/83/03/29/655830329.db2.gz LYOVKUPCJMJKSA-ZWNOBZJWSA-N 1 0 386.265 1.504 20 0 GDADRO CCN(C(=O)c1c(I)cnn1C)C1CC[NH+](C)CC1 ZINC000861890915 655832917 /nfs/dbraw/zinc/83/29/17/655832917.db2.gz OQQKLXXPLSZOIV-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO CCN(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C1CC[NH+](C)CC1 ZINC000861894845 655833065 /nfs/dbraw/zinc/83/30/65/655833065.db2.gz KYEOAHTUVFFBTC-UHFFFAOYSA-N 1 0 377.869 1.683 20 0 GDADRO CCN(C(=O)c1ccc(-n2cc(Br)cn2)nn1)C1CC[NH+](C)CC1 ZINC000861895262 655833103 /nfs/dbraw/zinc/83/31/03/655833103.db2.gz WEUSSPZVKGYVHR-UHFFFAOYSA-N 1 0 393.289 1.981 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000862205649 655841843 /nfs/dbraw/zinc/84/18/43/655841843.db2.gz PUTIIXKGYWIVGD-AWEZNQCLSA-N 1 0 381.523 1.287 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000862354548 655844947 /nfs/dbraw/zinc/84/49/47/655844947.db2.gz BAHDGJJHOCHTFE-HTAVTVPLSA-N 1 0 383.461 1.301 20 0 GDADRO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863545489 655875206 /nfs/dbraw/zinc/87/52/06/655875206.db2.gz TYHVOOFTMRJXBW-IPYPFGDCSA-N 1 0 389.543 1.203 20 0 GDADRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(I)nn2C)CC1 ZINC000864058593 655888189 /nfs/dbraw/zinc/88/81/89/655888189.db2.gz BQYBWUHVFUEHLZ-UHFFFAOYSA-N 1 0 390.269 1.971 20 0 GDADRO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(I)nn2C)C[C@@H]1C ZINC000864084788 655889979 /nfs/dbraw/zinc/88/99/79/655889979.db2.gz WFEVGPBWIKGJLO-AOOOYVTPSA-N 1 0 376.242 1.579 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CC(CNC(=O)C(F)(F)F)C1)c1cccs1 ZINC000864429721 655897635 /nfs/dbraw/zinc/89/76/35/655897635.db2.gz ZKJBBVPCXBQPND-NSHDSACASA-N 1 0 378.420 1.671 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2nc(Br)sc2Cl)CC1 ZINC000864608931 655903264 /nfs/dbraw/zinc/90/32/64/655903264.db2.gz PDNYNUFEBBNKFN-UHFFFAOYSA-N 1 0 381.727 1.878 20 0 GDADRO CC1CC[NH+](CCNC(=O)c2cc(I)nn2C)CC1 ZINC000864877922 655907732 /nfs/dbraw/zinc/90/77/32/655907732.db2.gz WAJCZMMZLRJKDL-UHFFFAOYSA-N 1 0 376.242 1.486 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)CC(F)F ZINC000865434269 655919804 /nfs/dbraw/zinc/91/98/04/655919804.db2.gz CSHHOUYIIKTXMA-VXGBXAGGSA-N 1 0 385.477 1.549 20 0 GDADRO COc1ncc(Br)cc1CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000865449875 655919939 /nfs/dbraw/zinc/91/99/39/655919939.db2.gz CXAURMNSNDVYKB-GFCCVEGCSA-N 1 0 385.306 1.530 20 0 GDADRO Cc1ccnc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)c1Br ZINC000865489715 655920742 /nfs/dbraw/zinc/92/07/42/655920742.db2.gz HNMFLYLWAZWJLN-VXGBXAGGSA-N 1 0 376.320 1.960 20 0 GDADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865724193 655924992 /nfs/dbraw/zinc/92/49/92/655924992.db2.gz KFPMSISZEBDLEX-LBPRGKRZSA-N 1 0 381.420 1.977 20 0 GDADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000865747687 655925702 /nfs/dbraw/zinc/92/57/02/655925702.db2.gz PQGQZWGQSCJVNK-NEPJUHHUSA-N 1 0 389.294 1.643 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000865748725 655925846 /nfs/dbraw/zinc/92/58/46/655925846.db2.gz ADDIEKLXQDFCBJ-LBPRGKRZSA-N 1 0 397.317 1.756 20 0 GDADRO COc1c(Br)cccc1C[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000865796562 655927026 /nfs/dbraw/zinc/92/70/26/655927026.db2.gz XGVDFPCFWSWSGK-INIZCTEOSA-N 1 0 385.258 1.175 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccccc2Br)CC1 ZINC000866408629 655941036 /nfs/dbraw/zinc/94/10/36/655941036.db2.gz MASPWBSBFAOCOG-UHFFFAOYSA-N 1 0 377.304 1.795 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NC1CC[NH+](C)CC1 ZINC000866421431 655941827 /nfs/dbraw/zinc/94/18/27/655941827.db2.gz QTGHGBXPSHGWCC-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)N=[S@@](C)(=O)CC)cc1 ZINC000866497833 655947316 /nfs/dbraw/zinc/94/73/16/655947316.db2.gz MIWFJWYXIGPDIR-DEOSSOPVSA-N 1 0 391.559 1.859 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cnn(C)c1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000866497317 655947377 /nfs/dbraw/zinc/94/73/77/655947377.db2.gz FEKXNNGFWZZOEJ-WDEREUQCSA-N 1 0 379.324 1.581 20 0 GDADRO C[S@](=O)(=NS(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000866502484 655947594 /nfs/dbraw/zinc/94/75/94/655947594.db2.gz GMZXGAJMSOYBBC-XMQCVEROSA-N 1 0 375.491 1.744 20 0 GDADRO CC1CC[NH+](CCCCNS(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000866504038 655947738 /nfs/dbraw/zinc/94/77/38/655947738.db2.gz ZTTBDVXBPYWHTC-UHFFFAOYSA-N 1 0 379.324 1.963 20 0 GDADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cnn(C)c2Br)C1 ZINC000866581806 655950545 /nfs/dbraw/zinc/95/05/45/655950545.db2.gz CUTNZYSBPCJXRC-NSHDSACASA-N 1 0 393.351 1.971 20 0 GDADRO COC(=O)c1cc(Br)ccc1OS(=O)(=O)CCC[NH+](C)C ZINC000866675958 655953220 /nfs/dbraw/zinc/95/32/20/655953220.db2.gz UQZAISRICSYZKB-UHFFFAOYSA-N 1 0 380.260 1.896 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000866738568 655957698 /nfs/dbraw/zinc/95/76/98/655957698.db2.gz OPAKMQLNFDZDLD-NSHDSACASA-N 1 0 377.304 1.958 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000866751503 655958946 /nfs/dbraw/zinc/95/89/46/655958946.db2.gz YQOWAMJDGSQSKV-NSHDSACASA-N 1 0 377.308 1.811 20 0 GDADRO C[C@@]1(CS(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1(Cl)Cl ZINC000866758537 655959662 /nfs/dbraw/zinc/95/96/62/655959662.db2.gz UVEKBRYBLVSRGN-YPMHNXCESA-N 1 0 386.345 1.220 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Br ZINC000866766501 655960689 /nfs/dbraw/zinc/96/06/89/655960689.db2.gz UADVGTFNAQUPHI-RYUDHWBXSA-N 1 0 391.335 1.583 20 0 GDADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)N=S1(=O)CCCC1 ZINC000866767862 655960829 /nfs/dbraw/zinc/96/08/29/655960829.db2.gz ZDDDKUDUIYXZGK-UHFFFAOYSA-N 1 0 375.516 1.570 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000866769182 655960952 /nfs/dbraw/zinc/96/09/52/655960952.db2.gz JWDYCLBHAWKJHF-LLVKDONJSA-N 1 0 393.303 1.256 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000866771878 655961581 /nfs/dbraw/zinc/96/15/81/655961581.db2.gz KQPLGLRJIJREFG-LLVKDONJSA-N 1 0 393.303 1.337 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000866806196 655965879 /nfs/dbraw/zinc/96/58/79/655965879.db2.gz VGLVHBPEMUXYKC-UHOFOFEASA-N 1 0 385.917 1.601 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)C3CC[NH2+]CC3)c(Cl)cc21 ZINC000866812921 655966285 /nfs/dbraw/zinc/96/62/85/655966285.db2.gz RCRMHNBPPKYQIM-NSHDSACASA-N 1 0 385.917 1.915 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000866812323 655966337 /nfs/dbraw/zinc/96/63/37/655966337.db2.gz HWQXBKYVDSGPKP-JTQLQIEISA-N 1 0 379.404 1.854 20 0 GDADRO O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866825426 655967439 /nfs/dbraw/zinc/96/74/39/655967439.db2.gz QIGHQFOIAKKYQJ-OLZOCXBDSA-N 1 0 398.428 1.495 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000866874246 655972592 /nfs/dbraw/zinc/97/25/92/655972592.db2.gz NFOIQAHDNKSDSR-UONOGXRCSA-N 1 0 386.389 1.763 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000866892264 655974350 /nfs/dbraw/zinc/97/43/50/655974350.db2.gz RQNVWVMVEUIBAV-NSHDSACASA-N 1 0 379.324 1.535 20 0 GDADRO Cn1nc(I)cc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000866892190 655974362 /nfs/dbraw/zinc/97/43/62/655974362.db2.gz QOMPYVTZWWFJEW-UHFFFAOYSA-N 1 0 390.269 1.875 20 0 GDADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000866923873 655977776 /nfs/dbraw/zinc/97/77/76/655977776.db2.gz BGGAJKXILMMOAP-OAHLLOKOSA-N 1 0 375.535 1.743 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)N=[S@](C)(=O)c3ccccc3F)CC[C@@H]21 ZINC000866973004 655983337 /nfs/dbraw/zinc/98/33/37/655983337.db2.gz XXWYQFLCZUEAIC-UUWORRSWSA-N 1 0 389.518 1.943 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)C1 ZINC000866986088 655984334 /nfs/dbraw/zinc/98/43/34/655984334.db2.gz OQUUEOMAJNVAEZ-NJUKPOPLSA-N 1 0 389.518 1.943 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cnn(C)c2Br)C1 ZINC000866992324 655984906 /nfs/dbraw/zinc/98/49/06/655984906.db2.gz LOLINIFUGXKKPO-LBPRGKRZSA-N 1 0 393.351 1.829 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2c(F)cc(Cl)cc2C=O)CC1 ZINC000867042675 655990487 /nfs/dbraw/zinc/99/04/87/655990487.db2.gz ODHCMRBBPHUNNO-UHFFFAOYSA-N 1 0 378.853 1.638 20 0 GDADRO C[C@@H](NS(=O)(=O)N=S1(=O)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867067478 655993045 /nfs/dbraw/zinc/99/30/45/655993045.db2.gz LCWQBMXRSNQXHW-NVXWUHKLSA-N 1 0 385.555 1.993 20 0 GDADRO O=S(=O)(N=S1(=O)CCCC1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000867213028 656014586 /nfs/dbraw/zinc/01/45/86/656014586.db2.gz XIELPUGHPVWTBF-CALCHBBNSA-N 1 0 383.539 1.557 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1cc(Br)ncc1Br ZINC000867240693 656020592 /nfs/dbraw/zinc/02/05/92/656020592.db2.gz BAZUSPPMINLGAE-UHFFFAOYSA-N 1 0 395.095 1.915 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000867297327 656032840 /nfs/dbraw/zinc/03/28/40/656032840.db2.gz ANMADTSBMRTROV-CQSZACIVSA-N 1 0 375.535 1.647 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000867455113 656064254 /nfs/dbraw/zinc/06/42/54/656064254.db2.gz FNGNTVHIMCHJCJ-MCMMXHMISA-N 1 0 381.951 1.937 20 0 GDADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000867534252 656079566 /nfs/dbraw/zinc/07/95/66/656079566.db2.gz NMTSGTPDFPYIND-LBPRGKRZSA-N 1 0 380.297 1.608 20 0 GDADRO Cn1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(Br)n1 ZINC000867564293 656084672 /nfs/dbraw/zinc/08/46/72/656084672.db2.gz WAFIHLIPIDWFQL-LLVKDONJSA-N 1 0 377.308 1.478 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1Br ZINC000867563665 656084683 /nfs/dbraw/zinc/08/46/83/656084683.db2.gz NXXHEDYGZZIKOJ-NSHDSACASA-N 1 0 377.308 1.478 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000867580434 656087918 /nfs/dbraw/zinc/08/79/18/656087918.db2.gz AEIMHEZBCDSXQT-GOSISDBHSA-N 1 0 376.563 1.812 20 0 GDADRO C[NH+]1CCC(CNS(=O)(=O)CCCS(C)(=O)=O)(c2ccccc2)CC1 ZINC000867705995 656104525 /nfs/dbraw/zinc/10/45/25/656104525.db2.gz OLZZLIATBDQOTA-UHFFFAOYSA-N 1 0 388.555 1.004 20 0 GDADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000867743765 656107827 /nfs/dbraw/zinc/10/78/27/656107827.db2.gz XNTCTWVPGWZOME-UHFFFAOYSA-N 1 0 389.543 1.136 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000867779639 656115683 /nfs/dbraw/zinc/11/56/83/656115683.db2.gz DXXZLOVNSYBDFE-LSDHHAIUSA-N 1 0 383.480 1.688 20 0 GDADRO Cc1csc2nc(CC(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)cn12 ZINC000867973201 656136403 /nfs/dbraw/zinc/13/64/03/656136403.db2.gz SXXCKHROWFNTER-LBPRGKRZSA-N 1 0 375.420 1.199 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)O1 ZINC000867979147 656136612 /nfs/dbraw/zinc/13/66/12/656136612.db2.gz GAAAPOQCZUXWMM-MELADBBJSA-N 1 0 384.274 1.201 20 0 GDADRO C[C@@]1([NH3+])CCN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)C1 ZINC000868072337 656139476 /nfs/dbraw/zinc/13/94/76/656139476.db2.gz BVMIMCFCTKCLFB-QGZVFWFLSA-N 1 0 379.507 1.790 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[C@](C)([NH3+])C1 ZINC000868078529 656139863 /nfs/dbraw/zinc/13/98/63/656139863.db2.gz MNSLDEAUHQQJQZ-NHYWBVRUSA-N 1 0 389.315 1.809 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1c(I)cnn1C ZINC000868216057 656144153 /nfs/dbraw/zinc/14/41/53/656144153.db2.gz FFPBFKYGVKMAPZ-SNVBAGLBSA-N 1 0 393.273 1.554 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(F)c2I)C1 ZINC000868303837 656149937 /nfs/dbraw/zinc/14/99/37/656149937.db2.gz QFKILJAIHZDAHZ-OCAPTIKFSA-N 1 0 391.184 1.222 20 0 GDADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000868307450 656150212 /nfs/dbraw/zinc/15/02/12/656150212.db2.gz BZQCSBASRQGAGM-ILWJIGKKSA-N 1 0 376.404 1.833 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cccc(Br)c1 ZINC000868392212 656153986 /nfs/dbraw/zinc/15/39/86/656153986.db2.gz VGHUPWSSEQDLNV-YUELXQCFSA-N 1 0 396.285 1.073 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)c1cccc(Br)c1 ZINC000868398790 656154208 /nfs/dbraw/zinc/15/42/08/656154208.db2.gz AHQLGGIELBPGHG-KYOSRNDESA-N 1 0 398.301 1.306 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868419954 656155083 /nfs/dbraw/zinc/15/50/83/656155083.db2.gz SXHFHXPCKBZYKE-NXEZZACHSA-N 1 0 376.404 1.473 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC(C[NH+](C)C)C2)c1I ZINC000868630767 656163480 /nfs/dbraw/zinc/16/34/80/656163480.db2.gz ITWYHGLWZZYNGZ-UHFFFAOYSA-N 1 0 376.242 1.702 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C(=O)c2ccc(Br)s2)C1 ZINC000869776251 656206943 /nfs/dbraw/zinc/20/69/43/656206943.db2.gz ATZCNJVYAMZJHC-VIFPVBQESA-N 1 0 375.288 1.655 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(I)cc2)C1 ZINC000869786224 656207895 /nfs/dbraw/zinc/20/78/95/656207895.db2.gz XNUCRRQKEAWBDH-ZDUSSCGKSA-N 1 0 388.249 1.866 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1cc(Br)no1 ZINC000869832942 656208572 /nfs/dbraw/zinc/20/85/72/656208572.db2.gz QFOMCENZHFQRMY-JTQLQIEISA-N 1 0 392.250 1.935 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2c(Br)cnn2C)cn1 ZINC000870314326 656228666 /nfs/dbraw/zinc/22/86/66/656228666.db2.gz IGXWOJLDWDGJSE-OLZOCXBDSA-N 1 0 395.305 1.268 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000870508408 656238669 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[NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cscc1C(F)F ZINC000923637043 656579394 /nfs/dbraw/zinc/57/93/94/656579394.db2.gz NRFPRUSPTCSLGR-SNVBAGLBSA-N 1 0 381.470 1.694 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2occc2Br)C[C@H]1C(F)(F)F ZINC000923671439 656581853 /nfs/dbraw/zinc/58/18/53/656581853.db2.gz QFDTTXANRNCVCP-RNFRBKRXSA-N 1 0 377.182 1.800 20 0 GDADRO CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N(CC[NH3+])CC(F)(F)F ZINC000923671225 656581925 /nfs/dbraw/zinc/58/19/25/656581925.db2.gz IYKAWAYRIPLXFT-UHFFFAOYSA-N 1 0 384.376 1.384 20 0 GDADRO O=S(=O)(NCCCCCN1CC[NH2+]CC1)c1cc(Cl)cnc1Cl ZINC000923679244 656582864 /nfs/dbraw/zinc/58/28/64/656582864.db2.gz CCJHSWPHPDMCTO-UHFFFAOYSA-N 1 0 381.329 1.742 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1COc2cccc(Br)c2C1 ZINC000876231364 656584480 /nfs/dbraw/zinc/58/44/80/656584480.db2.gz VGSWBRXRHUHCDH-NEPJUHHUSA-N 1 0 384.274 1.118 20 0 GDADRO C[C@]1(CS(=O)(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1(Cl)Cl ZINC000923683208 656584964 /nfs/dbraw/zinc/58/49/64/656584964.db2.gz HWVZFNKGYXCUEJ-ZYHUDNBSSA-N 1 0 385.313 1.175 20 0 GDADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1c(Cl)nc3ccccn31)CC2 ZINC000923686440 656587452 /nfs/dbraw/zinc/58/74/52/656587452.db2.gz LOIDCNPNRILXCW-LBPRGKRZSA-N 1 0 384.889 1.506 20 0 GDADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CCNCC[NH2+]CC1 ZINC000923691467 656589494 /nfs/dbraw/zinc/58/94/94/656589494.db2.gz FLIBEVPMDDHMJS-UHFFFAOYSA-N 1 0 387.933 1.702 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000923696723 656591632 /nfs/dbraw/zinc/59/16/32/656591632.db2.gz ZIZKVOIHEIWKKW-LBPRGKRZSA-N 1 0 385.230 1.202 20 0 GDADRO O=C(NCc1ncc(Br)s1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000876286814 656593969 /nfs/dbraw/zinc/59/39/69/656593969.db2.gz WNBXWZVBRCQHAN-WDEREUQCSA-N 1 0 389.319 1.646 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ncc(Br)s2)[C@@H](C)C1 ZINC000876287764 656594579 /nfs/dbraw/zinc/59/45/79/656594579.db2.gz YESCYGRQGYIIAZ-VHSXEESVSA-N 1 0 377.308 1.502 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000923720207 656595114 /nfs/dbraw/zinc/59/51/14/656595114.db2.gz RLAJBLFGGZDGLZ-WDEREUQCSA-N 1 0 377.388 1.417 20 0 GDADRO O=C(NCCn1ccc(C(F)(F)F)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000923971828 656615054 /nfs/dbraw/zinc/61/50/54/656615054.db2.gz HGUNQNGOCRWLLC-VXGBXAGGSA-N 1 0 377.436 1.781 20 0 GDADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000876595401 656616555 /nfs/dbraw/zinc/61/65/55/656616555.db2.gz GJDITXDWUGFSHU-GXMNPTEKSA-N 1 0 383.539 1.573 20 0 GDADRO [NH3+]C[C@@H]1[C@H](C(=O)NCCNC(=O)c2ccc(Br)cc2)C1(F)F ZINC000876609884 656617448 /nfs/dbraw/zinc/61/74/48/656617448.db2.gz ZSAZETBQFOTVFU-GHMZBOCLSA-N 1 0 376.201 1.135 20 0 GDADRO COC[C@]1(C(=O)NCc2ccc(Br)cc2Cl)C[NH2+]CCO1 ZINC000876623749 656618690 /nfs/dbraw/zinc/61/86/90/656618690.db2.gz SLOVEHHKOBUNLM-AWEZNQCLSA-N 1 0 377.666 1.724 20 0 GDADRO COC[C@]1(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C[NH2+]CCO1 ZINC000876627687 656619030 /nfs/dbraw/zinc/61/90/30/656619030.db2.gz IDAUCMBKPCPBLH-RDJZCZTQSA-N 1 0 399.285 1.354 20 0 GDADRO COc1cc(CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc(Br)c1OC ZINC000876637899 656620386 /nfs/dbraw/zinc/62/03/86/656620386.db2.gz VJAFHHPSDQUXOI-KWQFWETISA-N 1 0 379.201 1.923 20 0 GDADRO O=C(NCCc1ccc(I)s1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876645813 656621519 /nfs/dbraw/zinc/62/15/19/656621519.db2.gz RKKNFYHKGJXDJU-KWQFWETISA-N 1 0 382.242 1.959 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876689760 656624026 /nfs/dbraw/zinc/62/40/26/656624026.db2.gz ADHJUQQYLIIYQX-COPLHBTASA-N 1 0 375.238 1.253 20 0 GDADRO COC[C@]1(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)C[NH2+]CCO1 ZINC000876695488 656624845 /nfs/dbraw/zinc/62/48/45/656624845.db2.gz AHFQSSDCZKUPLU-ZBEGNZNMSA-N 1 0 389.265 1.640 20 0 GDADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000876720198 656626842 /nfs/dbraw/zinc/62/68/42/656626842.db2.gz DJNBMETWAUEYBV-MZSZDEQASA-N 1 0 379.302 1.904 20 0 GDADRO Cn1nc(I)cc1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000876844421 656634977 /nfs/dbraw/zinc/63/49/77/656634977.db2.gz ZWPHKDXFLRXXSF-UHFFFAOYSA-N 1 0 398.248 1.668 20 0 GDADRO COC[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)C[NH2+]CCO1 ZINC000876888465 656637111 /nfs/dbraw/zinc/63/71/11/656637111.db2.gz DIVGHZYYYJDLDT-CXAGYDPISA-N 1 0 388.295 1.693 20 0 GDADRO COC[C@]1(C(=O)NCC(C)(C)c2ccccc2Br)C[NH2+]CCO1 ZINC000876899220 656638099 /nfs/dbraw/zinc/63/80/99/656638099.db2.gz UKZUQWXIKQDCQU-KRWDZBQOSA-N 1 0 385.302 1.848 20 0 GDADRO Cn1ncc(C[NH3+])c1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000876940394 656641400 /nfs/dbraw/zinc/64/14/00/656641400.db2.gz SSTHUMYPTRZVGA-UHFFFAOYSA-N 1 0 392.301 1.599 20 0 GDADRO C[C@]12CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])C[C@H]1C2(Br)Br ZINC000876958780 656642337 /nfs/dbraw/zinc/64/23/37/656642337.db2.gz KBTCJAKTFRXFLH-SJQPAMGKSA-N 1 0 382.096 1.457 20 0 GDADRO O=C(/C=C\c1ccc(Br)o1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876994587 656644570 /nfs/dbraw/zinc/64/45/70/656644570.db2.gz KGRGEGBWQASZLM-RQOWECAXSA-N 1 0 397.273 1.225 20 0 GDADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(OC)c(S(N)(=O)=O)s2)CC1 ZINC000924388135 656646093 /nfs/dbraw/zinc/64/60/93/656646093.db2.gz WROPGNKYXOWMCF-UHFFFAOYSA-N 1 0 387.527 1.495 20 0 GDADRO CCOC(=O)CSC[C@@H]1NC(=O)N(C[C@@H](c2cccs2)[NH+](C)C)C1=O ZINC000924434074 656648160 /nfs/dbraw/zinc/64/81/60/656648160.db2.gz CGIXRMPIZREFJA-RYUDHWBXSA-N 1 0 385.511 1.568 20 0 GDADRO [NH3+]CC1(CC(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)CC1 ZINC000877124546 656655287 /nfs/dbraw/zinc/65/52/87/656655287.db2.gz XFUXBBMRMXEZPE-UHFFFAOYSA-N 1 0 380.286 1.749 20 0 GDADRO C[C@@]1(C(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)CC[NH2+]C1 ZINC000877124539 656655297 /nfs/dbraw/zinc/65/52/97/656655297.db2.gz XDJVDCSCQGOGTA-QGZVFWFLSA-N 1 0 380.286 1.620 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]([NH3+])C2)ccc1Cl ZINC000877128545 656655298 /nfs/dbraw/zinc/65/52/98/656655298.db2.gz UHLRDGZATOABMJ-CYBMUJFWSA-N 1 0 389.905 1.865 20 0 GDADRO O=C(CCC1C[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000877124379 656655330 /nfs/dbraw/zinc/65/53/30/656655330.db2.gz WDQMLMQJIMJFFM-UHFFFAOYSA-N 1 0 380.286 1.620 20 0 GDADRO COc1nsc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)c1Br ZINC000877141477 656656211 /nfs/dbraw/zinc/65/62/11/656656211.db2.gz ILPILAUMFQMMQQ-VIFPVBQESA-N 1 0 379.276 1.926 20 0 GDADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1c(Br)cnn1C ZINC000877148647 656656898 /nfs/dbraw/zinc/65/68/98/656656898.db2.gz RARVRDHVHSCVEP-NSHDSACASA-N 1 0 381.278 1.542 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)c2cnn(-c3ccccc3)c2I)C1 ZINC000877244203 656660796 /nfs/dbraw/zinc/66/07/96/656660796.db2.gz XDVWQDPONPZLRW-XYPYZODXSA-N 1 0 396.232 1.944 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)NS(=O)(=O)c1cccnc1Cl ZINC000877279394 656663344 /nfs/dbraw/zinc/66/33/44/656663344.db2.gz REKABXDPLOTWQE-FRRDWIJNSA-N 1 0 386.905 1.145 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284852 656663986 /nfs/dbraw/zinc/66/39/86/656663986.db2.gz PHKAJBAFMAFRCU-LSDHHAIUSA-N 1 0 391.269 1.512 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000877306121 656666242 /nfs/dbraw/zinc/66/62/42/656666242.db2.gz GNCLARDCEMSROE-HNNXBMFYSA-N 1 0 382.302 1.696 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)n1cc(Br)cn1 ZINC000877328267 656667239 /nfs/dbraw/zinc/66/72/39/656667239.db2.gz HWAAGARGSUZYKC-JSGCOSHPSA-N 1 0 385.306 1.872 20 0 GDADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(I)c[nH]1 ZINC000877333227 656667818 /nfs/dbraw/zinc/66/78/18/656667818.db2.gz QLVACPRYAXAARW-NSHDSACASA-N 1 0 389.237 1.508 20 0 GDADRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000877339048 656667839 /nfs/dbraw/zinc/66/78/39/656667839.db2.gz PYEPTYFWLHWYBR-BFHYXJOUSA-N 1 0 376.400 1.040 20 0 GDADRO CCc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1S(C)(=O)=O ZINC000877357598 656668969 /nfs/dbraw/zinc/66/89/69/656668969.db2.gz LTVVQOMMXJNODZ-QWHCGFSZSA-N 1 0 378.416 1.862 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2cnn3cc(Br)cnc23)C[C@H]1C(F)(F)F ZINC000877356065 656668989 /nfs/dbraw/zinc/66/89/89/656668989.db2.gz DNUWCHDBUJSITQ-OIBJUYFYSA-N 1 0 392.179 1.701 20 0 GDADRO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877363786 656669912 /nfs/dbraw/zinc/66/99/12/656669912.db2.gz HSYVDGLCTGECGT-SDDRHHMPSA-N 1 0 381.464 1.920 20 0 GDADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccc2ncc(I)n2c1 ZINC000877389793 656672702 /nfs/dbraw/zinc/67/27/02/656672702.db2.gz GKWBWOGQULYOSN-NHYWBVRUSA-N 1 0 396.232 1.953 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1nccc(C)c1Br ZINC000877497593 656676905 /nfs/dbraw/zinc/67/69/05/656676905.db2.gz UPKLUKVFMPSHGX-UHFFFAOYSA-N 1 0 399.333 1.375 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877744091 656689772 /nfs/dbraw/zinc/68/97/72/656689772.db2.gz OLKMZIAFVJQSNX-IIAWOOMASA-N 1 0 386.949 1.731 20 0 GDADRO C[N@H+](CCO)CCNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000925007993 656691266 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GDADRO O=C(CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)Nc1ccc(I)cc1 ZINC000925665720 656715861 /nfs/dbraw/zinc/71/58/61/656715861.db2.gz IBUPARIDBBSDBZ-TXBJDVRTSA-N 1 0 397.260 1.816 20 0 GDADRO Cn1nnnc1CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000878544048 656731815 /nfs/dbraw/zinc/73/18/15/656731815.db2.gz MWIUVNPZXAEALD-LLVKDONJSA-N 1 0 394.195 1.857 20 0 GDADRO O=C(Nc1nnc(CC(F)(F)F)s1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926070890 656733625 /nfs/dbraw/zinc/73/36/25/656733625.db2.gz XPQFAXQMNCEZTB-VIFPVBQESA-N 1 0 379.408 1.923 20 0 GDADRO O=C(NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)Nc1cccnc1Br ZINC000926070041 656733679 /nfs/dbraw/zinc/73/36/79/656733679.db2.gz FLCLUEOQAVUNID-SNVBAGLBSA-N 1 0 383.246 1.651 20 0 GDADRO Cc1nccc(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c1Br ZINC000926095535 656735376 /nfs/dbraw/zinc/73/53/76/656735376.db2.gz HAQSWUNYISVYMH-GFCCVEGCSA-N 1 0 383.290 1.855 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cc(Br)ncc1C)C2 ZINC000926096862 656735863 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1 0 398.276 1.670 20 0 GDADRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000878838834 656752626 /nfs/dbraw/zinc/75/26/26/656752626.db2.gz XTJLUFXETOOKQD-CYBMUJFWSA-N 1 0 389.905 1.979 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cs1)C(N)=O ZINC000878859881 656753858 /nfs/dbraw/zinc/75/38/58/656753858.db2.gz UGPIRWKMVLWYMZ-OCCSQVGLSA-N 1 0 384.571 1.842 20 0 GDADRO Brc1ncn(CC[N@H+](CCN2CCOCC2)[C@H]2CCSC2)n1 ZINC000878871958 656755084 /nfs/dbraw/zinc/75/50/84/656755084.db2.gz WWUPNDILVKXOIH-ZDUSSCGKSA-N 1 0 390.351 1.180 20 0 GDADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926512170 656759513 /nfs/dbraw/zinc/75/95/13/656759513.db2.gz KMVYCLDZFGVOEM-MCIONIFRSA-N 1 0 377.551 1.938 20 0 GDADRO NC(=O)c1cn(CCCC[NH2+][C@H]2CCCc3ncc(Br)cc32)nn1 ZINC000926598330 656772617 /nfs/dbraw/zinc/77/26/17/656772617.db2.gz LAOOWSHHGXEYLH-ZDUSSCGKSA-N 1 0 393.289 1.982 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000926787745 656780038 /nfs/dbraw/zinc/78/00/38/656780038.db2.gz VPJQBIVRLVDQCY-YJNKXOJESA-N 1 0 375.535 1.692 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@H]1CCOC12CCOCC2 ZINC000926812041 656780062 /nfs/dbraw/zinc/78/00/62/656780062.db2.gz GTVOZUPNVYCGEA-LBPRGKRZSA-N 1 0 377.226 1.452 20 0 GDADRO CCO[C@@H](CNC(=O)N[C@@H](CO)c1cccc(Br)c1)C[NH+](C)C ZINC000926839592 656780947 /nfs/dbraw/zinc/78/09/47/656780947.db2.gz LBKWFOBFUVJBET-GJZGRUSLSA-N 1 0 388.306 1.748 20 0 GDADRO CO[C@@H]1CC[C@H]([NH+]2CCN(c3ncc(I)cn3)CC2)C1 ZINC000879205283 656782756 /nfs/dbraw/zinc/78/27/56/656782756.db2.gz YWOFXNHKGKIZFP-QWHCGFSZSA-N 1 0 388.253 1.771 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(OC(F)F)cc1OC(F)F ZINC000927023746 656787182 /nfs/dbraw/zinc/78/71/82/656787182.db2.gz AGRYZTVXOHLDHE-IUCAKERBSA-N 1 0 389.367 1.946 20 0 GDADRO CN1C(=O)[C@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@H]2C1=O ZINC000879535179 656802377 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Cc1cccc(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)c1Br ZINC000927845072 656844444 /nfs/dbraw/zinc/84/44/44/656844444.db2.gz QOLXDPBNVKYWLF-UHFFFAOYSA-N 1 0 383.290 1.235 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2ccccc2I)C[C@H]1[NH3+] ZINC000927856051 656846031 /nfs/dbraw/zinc/84/60/31/656846031.db2.gz AOELKFSCDCELKO-LLVKDONJSA-N 1 0 387.221 1.425 20 0 GDADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1cccc(Br)c1)CC2 ZINC000927876811 656848516 /nfs/dbraw/zinc/84/85/16/656848516.db2.gz RMGNXDPREGTMKR-AWEZNQCLSA-N 1 0 396.285 1.744 20 0 GDADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000927876575 656848719 /nfs/dbraw/zinc/84/87/19/656848719.db2.gz NTADIVGKLKHHOR-CQSZACIVSA-N 1 0 396.285 1.744 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cnc1Br ZINC000927929667 656855206 /nfs/dbraw/zinc/85/52/06/656855206.db2.gz RPHSNMLRBSTOTA-MRXNPFEDSA-N 1 0 381.274 1.836 20 0 GDADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000880135107 656870078 /nfs/dbraw/zinc/87/00/78/656870078.db2.gz QNSUDXMPCIUTML-JKSUJKDBSA-N 1 0 385.917 1.851 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928092223 656870232 /nfs/dbraw/zinc/87/02/32/656870232.db2.gz HAKQHROLTIZTKW-OAGGEKHMSA-N 1 0 389.587 1.277 20 0 GDADRO O=C(CCn1cnc2sccc2c1=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928099823 656872789 /nfs/dbraw/zinc/87/27/89/656872789.db2.gz VHDISQLAJHRELN-KGLIPLIRSA-N 1 0 378.523 1.544 20 0 GDADRO O=C1CC2(CCC2)[N@H+](C[C@H](O)COc2ccc(Br)cc2)CCN1 ZINC000880172401 656873253 /nfs/dbraw/zinc/87/32/53/656873253.db2.gz DIBFMJJKVGQBMM-AWEZNQCLSA-N 1 0 383.286 1.933 20 0 GDADRO CNS(=O)(=O)c1ccc(N2CC[NH+](CCc3scnc3C)CC2)cc1 ZINC000880267544 656880378 /nfs/dbraw/zinc/88/03/78/656880378.db2.gz RECHELNJWZZXCH-UHFFFAOYSA-N 1 0 380.539 1.724 20 0 GDADRO CCOC(=O)c1sc([C@H]2CC[N@H+](CCCS(=O)(=O)NC)C2)nc1C ZINC000880322372 656883369 /nfs/dbraw/zinc/88/33/69/656883369.db2.gz JTGMWDVZFSIMNI-LBPRGKRZSA-N 1 0 375.516 1.357 20 0 GDADRO CCCN(C(=O)Cc1csc(S[C@H](CC)C(N)=O)n1)[C@@H]1CC[N@H+](C)C1 ZINC000880414617 656890444 /nfs/dbraw/zinc/89/04/44/656890444.db2.gz SKCJYLXFMMMYBO-ZIAGYGMSSA-N 1 0 384.571 1.984 20 0 GDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928356850 656895805 /nfs/dbraw/zinc/89/58/05/656895805.db2.gz HQKJQGIIFAFROT-ZIAGYGMSSA-N 1 0 380.290 1.293 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)cs1)C(N)=O ZINC000880608049 656900184 /nfs/dbraw/zinc/90/01/84/656900184.db2.gz CDGSHJPNNUTBCG-MBNYWOFBSA-N 1 0 384.571 1.983 20 0 GDADRO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)nc1I ZINC000928440344 656901928 /nfs/dbraw/zinc/90/19/28/656901928.db2.gz LVTBTBNMSGYMQY-BDAKNGLRSA-N 1 0 375.210 1.517 20 0 GDADRO C[C@@H]1[C@H](NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000928449991 656902730 /nfs/dbraw/zinc/90/27/30/656902730.db2.gz AXBPSDRLRSWZMT-ZWNOBZJWSA-N 1 0 394.324 1.871 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[N@@H+]1C ZINC000928452525 656903964 /nfs/dbraw/zinc/90/39/64/656903964.db2.gz IDPPNFCPSGBKGI-GWCFXTLKSA-N 1 0 379.258 1.368 20 0 GDADRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000928563063 656916740 /nfs/dbraw/zinc/91/67/40/656916740.db2.gz NXKNHIZVIIZCSL-CABCVRRESA-N 1 0 380.286 1.874 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3nc4c(s3)CS(=O)(=O)CC4)CC[C@@H]21 ZINC000881118231 656919865 /nfs/dbraw/zinc/91/98/65/656919865.db2.gz YPCULALXIHJFLM-AAEUAGOBSA-N 1 0 384.527 1.562 20 0 GDADRO [NH3+][C@@H](c1cn(CCCN2CCOC2=O)nn1)c1ccc(Br)cc1 ZINC000881272077 656925220 /nfs/dbraw/zinc/92/52/20/656925220.db2.gz LKMYNZNSCJDBSK-CQSZACIVSA-N 1 0 380.246 1.931 20 0 GDADRO C[N@@H+]1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CCC1(C)C ZINC000881388518 656932389 /nfs/dbraw/zinc/93/23/89/656932389.db2.gz LJIKGTPOUXRXOW-CYBMUJFWSA-N 1 0 385.555 1.530 20 0 GDADRO O[C@@H](Cn1cc(CCN2CC[NH2+]CC2)nn1)c1cccc(Br)c1 ZINC000881406178 656933750 /nfs/dbraw/zinc/93/37/50/656933750.db2.gz HHGRSFYFBCODLX-INIZCTEOSA-N 1 0 380.290 1.222 20 0 GDADRO C[NH+]1CCN(Cc2cn(C[C@@H](O)c3cccc(Br)c3)nn2)CC1 ZINC000881406266 656933789 /nfs/dbraw/zinc/93/37/89/656933789.db2.gz HUGZKLDRTIIVFW-MRXNPFEDSA-N 1 0 380.290 1.522 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)c1c[nH]nc1I)c1cccnc1 ZINC000928831601 656934242 /nfs/dbraw/zinc/93/42/42/656934242.db2.gz NOELPUMJNKJVLQ-GFCCVEGCSA-N 1 0 399.236 1.832 20 0 GDADRO C[NH+]1CCN(Cc2cn(C[C@@H](O)c3ccccc3Br)nn2)CC1 ZINC000881418282 656934939 /nfs/dbraw/zinc/93/49/39/656934939.db2.gz FVDOYBUYRBCASC-MRXNPFEDSA-N 1 0 380.290 1.522 20 0 GDADRO [NH3+]Cc1cnn(Cc2cn(C[C@@H](O)c3ccccc3Br)nn2)c1 ZINC000881419499 656935341 /nfs/dbraw/zinc/93/53/41/656935341.db2.gz OJJYAELHCZUUMB-OAHLLOKOSA-N 1 0 377.246 1.478 20 0 GDADRO C[C@](O)(Cn1cc([C@H]([NH3+])CO)nn1)c1ccc(Br)cc1Cl ZINC000881422474 656935798 /nfs/dbraw/zinc/93/57/98/656935798.db2.gz AGXPYSZRGVMDPD-YPMHNXCESA-N 1 0 375.654 1.594 20 0 GDADRO CN(C)[S@@](=O)(=NS(=O)(=O)NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000881735675 656948382 /nfs/dbraw/zinc/94/83/82/656948382.db2.gz OOUJSCJZWMGBJH-QHCPKHFHSA-N 1 0 376.548 1.412 20 0 GDADRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881767926 656952854 /nfs/dbraw/zinc/95/28/54/656952854.db2.gz PPDYUENWRFQRSV-HSZRJFAPSA-N 1 0 376.548 1.437 20 0 GDADRO CCC[C@@H](C(=O)OCC)S(=O)(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000881798719 656961702 /nfs/dbraw/zinc/96/17/02/656961702.db2.gz JIGWTGCJHLIGIL-INIZCTEOSA-N 1 0 377.551 1.006 20 0 GDADRO CCC[C@H](C(=O)OCC)S(=O)(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000881798720 656961838 /nfs/dbraw/zinc/96/18/38/656961838.db2.gz JIGWTGCJHLIGIL-MRXNPFEDSA-N 1 0 377.551 1.006 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3nnc(C(F)(F)F)s3)CC2)C1 ZINC000929367226 656962985 /nfs/dbraw/zinc/96/29/85/656962985.db2.gz VMDQMMPJMWCFHE-JTQLQIEISA-N 1 0 378.424 1.801 20 0 GDADRO CN(C)[S@](C)(=O)=NS(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000881812021 656964829 /nfs/dbraw/zinc/96/48/29/656964829.db2.gz ZIOHKEYXJNMIEN-XMMPIXPASA-N 1 0 388.559 1.307 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2ccccc2[S@](=O)C(F)(F)F)CC1 ZINC000929421839 656965625 /nfs/dbraw/zinc/96/56/25/656965625.db2.gz MZDGTSXMIGUWJY-VWLOTQADSA-N 1 0 377.432 1.681 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2ccccc2[S@](=O)C(F)(F)F)CC1 ZINC000929457321 656967728 /nfs/dbraw/zinc/96/77/28/656967728.db2.gz GAKNCZIGOXKKBJ-VWLOTQADSA-N 1 0 377.432 1.633 20 0 GDADRO CS(=O)(=O)N1CC(C[N@H+](CCO)Cc2cc(Br)ccc2F)C1 ZINC000929505717 656969971 /nfs/dbraw/zinc/96/99/71/656969971.db2.gz KADXEZPZUHZBDF-UHFFFAOYSA-N 1 0 395.294 1.274 20 0 GDADRO CN(C)[S@@](=O)(=NS(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000881872282 656977536 /nfs/dbraw/zinc/97/75/36/656977536.db2.gz GLUKUOFVTHPMIV-MYYSRTQBSA-N 1 0 386.543 1.309 20 0 GDADRO C[C@@H](O)[C@H](O)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000929801857 656985577 /nfs/dbraw/zinc/98/55/77/656985577.db2.gz ZFNURKXGDWRCJG-BXUZGUMPSA-N 1 0 391.249 1.876 20 0 GDADRO C[N@H+](CCC1CCOCC1)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929823660 656986765 /nfs/dbraw/zinc/98/67/65/656986765.db2.gz BFPVWUQDVLTRQG-INIZCTEOSA-N 1 0 376.563 1.736 20 0 GDADRO COc1cc(Br)cc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000930120296 657001457 /nfs/dbraw/zinc/00/14/57/657001457.db2.gz BFBIANRVFOKEMC-UHFFFAOYSA-N 1 0 384.274 1.304 20 0 GDADRO C[N@H+](CC1CN(S(C)(=O)=O)C1)[C@H](CO)c1cccc(Br)c1 ZINC000930149621 657003205 /nfs/dbraw/zinc/00/32/05/657003205.db2.gz VUNVHCWYFLLYGA-CQSZACIVSA-N 1 0 377.304 1.306 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2cnn3cccc(Br)c23)CC1 ZINC000930217978 657008306 /nfs/dbraw/zinc/00/83/06/657008306.db2.gz HWUIGYIXKOWNLT-UHFFFAOYSA-N 1 0 394.317 1.854 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2CN(S(C)(=O)=O)C2)C(C)(C)C1 ZINC000930347725 657018391 /nfs/dbraw/zinc/01/83/91/657018391.db2.gz SVAOQSPLQQSKAP-CQSZACIVSA-N 1 0 375.535 1.503 20 0 GDADRO COC(=O)c1cc(Br)c(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1OC ZINC000930497909 657030137 /nfs/dbraw/zinc/03/01/37/657030137.db2.gz UJZNUNIUWLTGCW-SNVBAGLBSA-N 1 0 385.258 1.942 20 0 GDADRO CC(C)[C@@H]1C[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCCO1 ZINC000930590590 657036529 /nfs/dbraw/zinc/03/65/29/657036529.db2.gz RERHJZTZLONEBG-HOTGVXAUSA-N 1 0 376.563 1.735 20 0 GDADRO CC[C@H](C)[NH+]1CCN(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000930654626 657040633 /nfs/dbraw/zinc/04/06/33/657040633.db2.gz QPPSRKWYMIGDGI-HOTGVXAUSA-N 1 0 375.579 1.404 20 0 GDADRO COCC[N@@H+]1CCCN(C(=O)c2nc(Br)c3ccccn32)CC1 ZINC000930683297 657042791 /nfs/dbraw/zinc/04/27/91/657042791.db2.gz BNQOEFUJQHMINM-UHFFFAOYSA-N 1 0 381.274 1.891 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCC[C@H](CCO)CC2)CCC1 ZINC000930753171 657048163 /nfs/dbraw/zinc/04/81/63/657048163.db2.gz DIEIVDQIGPEFHB-JKSUJKDBSA-N 1 0 376.563 1.472 20 0 GDADRO CN(CC[NH+]1CCCCC1)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000930864954 657056435 /nfs/dbraw/zinc/05/64/35/657056435.db2.gz PBXIGRYMYCDHMQ-MRXNPFEDSA-N 1 0 375.579 1.406 20 0 GDADRO O[C@H](C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)C1(O)CCOCC1 ZINC000930902112 657058231 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381.274 1.977 20 0 GDADRO Nc1cc[nH+]c2c1CN(Cc1nnnn1-c1ccccc1Br)CC2 ZINC000931510395 657104424 /nfs/dbraw/zinc/10/44/24/657104424.db2.gz DVKLWINRXJXLEZ-UHFFFAOYSA-N 1 0 386.257 1.960 20 0 GDADRO C[S@](=O)(=NS(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CCCCC1 ZINC000882418090 657116769 /nfs/dbraw/zinc/11/67/69/657116769.db2.gz LXHNTRMJVSIRCP-OYLFLEFRSA-N 1 0 393.575 1.193 20 0 GDADRO Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)COC2CC[NH+](C)CC2)s1 ZINC000931696816 657122037 /nfs/dbraw/zinc/12/20/37/657122037.db2.gz CZKWQFMJIORUEX-CYBMUJFWSA-N 1 0 384.527 1.402 20 0 GDADRO CC[N@@H+]1CC[C@H]1CNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000882479264 657130899 /nfs/dbraw/zinc/13/08/99/657130899.db2.gz RESDYLQITUAWHP-NSHDSACASA-N 1 0 394.324 1.872 20 0 GDADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000882480458 657131473 /nfs/dbraw/zinc/13/14/73/657131473.db2.gz HCIWAPRHMACMGB-GFCCVEGCSA-N 1 0 380.495 1.122 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000882522621 657142134 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C[C@@H]1CN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)CCN1c1cc[nH+]cc1 ZINC000882619459 657160279 /nfs/dbraw/zinc/16/02/79/657160279.db2.gz LVCJMJISJKQIEU-CQSZACIVSA-N 1 0 389.543 1.135 20 0 GDADRO COC(C)(C)[C@@H](C)[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000932369128 657180809 /nfs/dbraw/zinc/18/08/09/657180809.db2.gz ZOFKRUPQDXCPHB-ZIAGYGMSSA-N 1 0 388.555 1.667 20 0 GDADRO COC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000932369864 657180836 /nfs/dbraw/zinc/18/08/36/657180836.db2.gz NHPZRGMXHBKQOH-NSHDSACASA-N 1 0 391.921 1.932 20 0 GDADRO Cc1cc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cnc1Br ZINC000932419724 657184108 /nfs/dbraw/zinc/18/41/08/657184108.db2.gz YVZHWKUTWGNFQO-UHFFFAOYSA-N 1 0 397.317 1.825 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@@H]1COC[C@@H]1C ZINC000932492952 657190296 /nfs/dbraw/zinc/19/02/96/657190296.db2.gz BEHTVFSIZZWYHH-SWLSCSKDSA-N 1 0 398.301 1.779 20 0 GDADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C3(n4cc(Br)cn4)CC3)C2)CC1 ZINC000932623468 657203772 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Cc1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)oc1Br ZINC000932943579 657232063 /nfs/dbraw/zinc/23/20/63/657232063.db2.gz MWINMMSLCJGYHF-ZDUSSCGKSA-N 1 0 386.290 1.487 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ncc(I)s2)C1 ZINC000883119710 657273419 /nfs/dbraw/zinc/27/34/19/657273419.db2.gz IKARCRFHJYMHDU-QMMMGPOBSA-N 1 0 395.266 1.323 20 0 GDADRO Cn1nc2c(c1C[NH2+]C[C@H]1CS(=O)(=O)c3ccccc3O1)CSCC2 ZINC000883151995 657275570 /nfs/dbraw/zinc/27/55/70/657275570.db2.gz FMGHXXQCXSUSAX-LBPRGKRZSA-N 1 0 379.507 1.534 20 0 GDADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000933437581 657280639 /nfs/dbraw/zinc/28/06/39/657280639.db2.gz POWBERSCMAZHAB-QGZVFWFLSA-N 1 0 398.301 1.663 20 0 GDADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CCN1CCCS1(=O)=O ZINC000933438212 657281204 /nfs/dbraw/zinc/28/12/04/657281204.db2.gz URFJQVMLHBCMDA-HNNXBMFYSA-N 1 0 391.331 1.368 20 0 GDADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000933443116 657281620 /nfs/dbraw/zinc/28/16/20/657281620.db2.gz XBPJDGSOSDZVMZ-BRWVUGGUSA-N 1 0 388.302 1.235 20 0 GDADRO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000883306967 657281850 /nfs/dbraw/zinc/28/18/50/657281850.db2.gz JGUWLUBRHZEYEH-YOEHRIQHSA-N 1 0 386.539 1.844 20 0 GDADRO C[C@@H]([NH2+]CCN(C)CCOCCO)c1ccccc1I ZINC000883348313 657282767 /nfs/dbraw/zinc/28/27/67/657282767.db2.gz NNHWPSLWLFPWEK-CYBMUJFWSA-N 1 0 392.281 1.883 20 0 GDADRO Cn1nc(Br)cc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000883372232 657283963 /nfs/dbraw/zinc/28/39/63/657283963.db2.gz RXVMYCBGBZDNBF-AWEZNQCLSA-N 1 0 386.338 1.069 20 0 GDADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000883377410 657285162 /nfs/dbraw/zinc/28/51/62/657285162.db2.gz HIZSSASSJRRNIF-OCCSQVGLSA-N 1 0 387.299 1.869 20 0 GDADRO O=C(NCc1n[nH]cc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883434635 657287224 /nfs/dbraw/zinc/28/72/24/657287224.db2.gz XMUUBYUDBRBQDK-UHFFFAOYSA-N 1 0 386.294 1.615 20 0 GDADRO COC(=O)c1cc(F)c(C)c(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c1 ZINC000883470745 657288970 /nfs/dbraw/zinc/28/89/70/657288970.db2.gz GCKWIFQGTYSHOG-UHFFFAOYSA-N 1 0 386.367 1.823 20 0 GDADRO COCCOc1ccc(F)cc1S(=O)(=O)N(CCC[NH3+])CC(F)(F)F ZINC000883470694 657288986 /nfs/dbraw/zinc/28/89/86/657288986.db2.gz DITBBBDCTGKKEH-UHFFFAOYSA-N 1 0 388.383 1.753 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCc1cc(Cl)cc(Br)c1 ZINC000883472912 657290311 /nfs/dbraw/zinc/29/03/11/657290311.db2.gz MSDQKFDGPNGOEH-ZDUSSCGKSA-N 1 0 397.722 1.553 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc3c(c1)OC(F)(F)O3)C2 ZINC000883480723 657291635 /nfs/dbraw/zinc/29/16/35/657291635.db2.gz KYKNDKRJRICVHQ-UHFFFAOYSA-N 1 0 389.405 1.670 20 0 GDADRO Cn1cc(NC(=O)N2CCc3sc(C[NH3+])nc3C2)cc(Br)c1=O ZINC000883546261 657297912 /nfs/dbraw/zinc/29/79/12/657297912.db2.gz YAMYTCBSEOKDPL-UHFFFAOYSA-N 1 0 398.286 1.653 20 0 GDADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000883593087 657300282 /nfs/dbraw/zinc/30/02/82/657300282.db2.gz ASZZHCMCICFBOD-INIZCTEOSA-N 1 0 395.257 1.997 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000883641363 657303232 /nfs/dbraw/zinc/30/32/32/657303232.db2.gz NBWDOMJQRYJNDW-NHYWBVRUSA-N 1 0 386.315 1.809 20 0 GDADRO Cn1ncc(NC(=O)NC2(C[NH+](C)C)CCC2)c1I ZINC000933737708 657310994 /nfs/dbraw/zinc/31/09/94/657310994.db2.gz BEBCBBZWKMKNHP-UHFFFAOYSA-N 1 0 377.230 1.631 20 0 GDADRO Cn1ncc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1I ZINC000933738479 657311927 /nfs/dbraw/zinc/31/19/27/657311927.db2.gz ZULASMACEIGBSW-JTQLQIEISA-N 1 0 387.225 1.503 20 0 GDADRO CCN(C(=O)Nc1cnn(C)c1I)[C@@H]1CC[N@H+](C)C1 ZINC000933741846 657315254 /nfs/dbraw/zinc/31/52/54/657315254.db2.gz JJAQHCHJVGXZHP-SECBINFHSA-N 1 0 377.230 1.583 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000884006595 657320703 /nfs/dbraw/zinc/32/07/03/657320703.db2.gz VWGFLJMHAJOAOP-IAQYHMDHSA-N 1 0 381.270 1.989 20 0 GDADRO CCC1([NH+]2CCC2)CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000884021402 657321306 /nfs/dbraw/zinc/32/13/06/657321306.db2.gz ZZSCQNPHJMOQJK-UHFFFAOYSA-N 1 0 386.543 1.555 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000884050026 657321991 /nfs/dbraw/zinc/32/19/91/657321991.db2.gz NBAWXXJKHHOAHK-OAHLLOKOSA-N 1 0 385.917 1.419 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CCNC2=O)C1)c1ccc(Br)cc1 ZINC000884106233 657326138 /nfs/dbraw/zinc/32/61/38/657326138.db2.gz KYIHQKSDCYKYEP-ZIAGYGMSSA-N 1 0 381.274 1.465 20 0 GDADRO CCn1nc2c(cc1=O)CN(C(=O)[C@@H]([NH3+])c1ccc(Br)cc1)CC2 ZINC000884170711 657331951 /nfs/dbraw/zinc/33/19/51/657331951.db2.gz CXUNEDOBLLDAMX-INIZCTEOSA-N 1 0 391.269 1.610 20 0 GDADRO CC(C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)N1CCOCC1 ZINC000884183620 657333712 /nfs/dbraw/zinc/33/37/12/657333712.db2.gz RXDMRPNDLMUJSR-HOTGVXAUSA-N 1 0 384.318 1.922 20 0 GDADRO Cn1cc(N2CCC[C@H](NC(=O)[C@H]([NH3+])c3ccc(Br)cc3)C2)cn1 ZINC000884223783 657336948 /nfs/dbraw/zinc/33/69/48/657336948.db2.gz YQSDAAJYSRFKOB-GOEBONIOSA-N 1 0 392.301 1.968 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(Br)cc1F ZINC000934125045 657339510 /nfs/dbraw/zinc/33/95/10/657339510.db2.gz GIWZYYBURNUUDK-ZDUSSCGKSA-N 1 0 386.265 1.757 20 0 GDADRO O=C(CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)Nc1ccccc1Br ZINC000934258217 657348690 /nfs/dbraw/zinc/34/86/90/657348690.db2.gz DLGJALGXZBYNEG-JKSUJKDBSA-N 1 0 382.302 1.919 20 0 GDADRO C[C@@H]1C[C@H](C)N(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)C[C@@H]1C[NH3+] ZINC000884346956 657349641 /nfs/dbraw/zinc/34/96/41/657349641.db2.gz FNHLXNPYZKXGLW-RFGFWPKPSA-N 1 0 385.555 1.420 20 0 GDADRO CC1(C)[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C[C@@H]1[NH3+] ZINC000884347831 657349712 /nfs/dbraw/zinc/34/97/12/657349712.db2.gz HQXBKQAPEXECGC-UONOGXRCSA-N 1 0 385.555 1.707 20 0 GDADRO Cn1ncc(I)c1CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934271376 657349832 /nfs/dbraw/zinc/34/98/32/657349832.db2.gz GMJCELHYMKDVLH-OLZOCXBDSA-N 1 0 390.269 1.056 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000884378135 657351419 /nfs/dbraw/zinc/35/14/19/657351419.db2.gz JJLHMTRVEQVKDY-NSHDSACASA-N 1 0 395.344 1.764 20 0 GDADRO C[NH2+]Cc1ccccc1CNC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC000884384194 657351741 /nfs/dbraw/zinc/35/17/41/657351741.db2.gz GVDMMUIOOSXIJS-NSHDSACASA-N 1 0 378.523 1.687 20 0 GDADRO [NH3+]CC1(NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CCOCC1 ZINC000884437133 657357121 /nfs/dbraw/zinc/35/71/21/657357121.db2.gz YNZZKMSZGKUWJL-CYBMUJFWSA-N 1 0 383.242 1.155 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1c(Br)cnn1C1CC1 ZINC000934375632 657359327 /nfs/dbraw/zinc/35/93/27/657359327.db2.gz APFJYEUFDHUZPM-VXGBXAGGSA-N 1 0 384.278 1.965 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCc2ccccc2Cl)C[C@H]1C(F)(F)F ZINC000884499069 657361445 /nfs/dbraw/zinc/36/14/45/657361445.db2.gz UCEPFCDWDWRLQX-NWDGAFQWSA-N 1 0 377.794 1.594 20 0 GDADRO COC(=O)[C@@H]1CN(c2nc3ccc(Br)cc3c(=O)[nH]2)CC[N@H+](C)C1 ZINC000884529169 657362814 /nfs/dbraw/zinc/36/28/14/657362814.db2.gz IOAZCLGQKZAZOA-JTQLQIEISA-N 1 0 395.257 1.639 20 0 GDADRO O=C(NCc1nc(C(F)(F)F)cs1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884548062 657364042 /nfs/dbraw/zinc/36/40/42/657364042.db2.gz BMQUZAHWJGZZDI-ZETCQYMHSA-N 1 0 386.346 1.139 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1Br ZINC000884585655 657365937 /nfs/dbraw/zinc/36/59/37/657365937.db2.gz QHTDICKVHBRVAZ-ZIAGYGMSSA-N 1 0 396.285 1.427 20 0 GDADRO CCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1OC)[C@H]1CC[NH2+]C1 ZINC000884660311 657369297 /nfs/dbraw/zinc/36/92/97/657369297.db2.gz PSIDGVIHKTWHTQ-YPMHNXCESA-N 1 0 398.301 1.845 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](COC)c1cccc(Br)c1 ZINC000884676291 657370547 /nfs/dbraw/zinc/37/05/47/657370547.db2.gz ILSGUQKSAIQDBU-AWEZNQCLSA-N 1 0 386.290 1.369 20 0 GDADRO COC[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000884680957 657370783 /nfs/dbraw/zinc/37/07/83/657370783.db2.gz HIRQYRQGSAYORD-WFASDCNBSA-N 1 0 398.301 1.369 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000884685169 657371282 /nfs/dbraw/zinc/37/12/82/657371282.db2.gz AJYLVHOIYNCPKR-ZNMIVQPWSA-N 1 0 398.301 1.639 20 0 GDADRO COC[C@@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000884688997 657372106 /nfs/dbraw/zinc/37/21/06/657372106.db2.gz VXNUACAONKFDPI-ZIAGYGMSSA-N 1 0 384.274 1.121 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000884688063 657372113 /nfs/dbraw/zinc/37/21/13/657372113.db2.gz RODIGHBJGRKYRM-UHFFFAOYSA-N 1 0 396.207 1.810 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC000884697922 657373568 /nfs/dbraw/zinc/37/35/68/657373568.db2.gz GZSHWSWSEIJTRF-LLVKDONJSA-N 1 0 378.270 1.930 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000884799596 657379818 /nfs/dbraw/zinc/37/98/18/657379818.db2.gz BOQROHNTSJQOGU-BXKDBHETSA-N 1 0 390.228 1.605 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884875312 657383522 /nfs/dbraw/zinc/38/35/22/657383522.db2.gz AUUNWKRSONSKAX-NSHDSACASA-N 1 0 386.290 1.895 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000934913631 657386193 /nfs/dbraw/zinc/38/61/93/657386193.db2.gz JKYNHKABDBDHDP-STQMWFEESA-N 1 0 385.306 1.978 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884966907 657391404 /nfs/dbraw/zinc/39/14/04/657391404.db2.gz WYJDIZQOFZVMBA-LLVKDONJSA-N 1 0 386.290 1.895 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ncc(Br)cn3)CC2)CC1 ZINC000935131511 657405500 /nfs/dbraw/zinc/40/55/00/657405500.db2.gz RSQBVRIOHZMABZ-UHFFFAOYSA-N 1 0 396.333 1.870 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2ncc(Br)s2)CC[C@@H]1[NH3+] ZINC000885032149 657410398 /nfs/dbraw/zinc/41/03/98/657410398.db2.gz UENHONKAYLKMRG-BDAKNGLRSA-N 1 0 375.292 1.108 20 0 GDADRO CN(C(=O)C(=O)NCc1ncc(Br)s1)C1CCC([NH3+])CC1 ZINC000885032812 657410921 /nfs/dbraw/zinc/41/09/21/657410921.db2.gz FOCPNZOBHGNOOH-UHFFFAOYSA-N 1 0 375.292 1.250 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000885109358 657421647 /nfs/dbraw/zinc/42/16/47/657421647.db2.gz ODUHNPKHQVKYEX-NSHDSACASA-N 1 0 378.782 1.580 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000935370433 657427257 /nfs/dbraw/zinc/42/72/57/657427257.db2.gz UDLYMNUDYDFDGQ-UHFFFAOYSA-N 1 0 398.349 1.970 20 0 GDADRO CSCC[C@@H](CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000935399043 657429593 /nfs/dbraw/zinc/42/95/93/657429593.db2.gz FEEVYSJVVNDMMN-GUYCJALGSA-N 1 0 375.535 1.206 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000935399499 657429708 /nfs/dbraw/zinc/42/97/08/657429708.db2.gz KWPAQQCLEJZUKK-INIZCTEOSA-N 1 0 381.226 1.352 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@@](C)(O)c1ccc(F)c(Br)c1 ZINC000935429724 657432355 /nfs/dbraw/zinc/43/23/55/657432355.db2.gz FBUSJVJXGDPYSW-HNNXBMFYSA-N 1 0 377.254 1.226 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000885251544 657435390 /nfs/dbraw/zinc/43/53/90/657435390.db2.gz KBNKVWWEQDPXNF-LLVKDONJSA-N 1 0 394.273 1.057 20 0 GDADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000885281272 657438576 /nfs/dbraw/zinc/43/85/76/657438576.db2.gz XQLUJNFGTSKTLD-LSDHHAIUSA-N 1 0 389.315 1.338 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)cc2Br)CC[N@@H+]1CC(C)(C)O ZINC000935543938 657446955 /nfs/dbraw/zinc/44/69/55/657446955.db2.gz URMGITWIKQDSBX-LLVKDONJSA-N 1 0 386.290 1.065 20 0 GDADRO CCCN(C)[C@@H](CNC(=O)C1(OC)CS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000935911469 657518343 /nfs/dbraw/zinc/51/83/43/657518343.db2.gz HSTBDNNWIUYELK-HNNXBMFYSA-N 1 0 388.917 1.653 20 0 GDADRO CCOC(=O)C[C@H](NS(=O)(=O)CCC[NH+](C)C)c1ccc(F)cc1F ZINC000885739435 657533855 /nfs/dbraw/zinc/53/38/55/657533855.db2.gz XGIQHEBWHKLRHL-HNNXBMFYSA-N 1 0 378.441 1.830 20 0 GDADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@H](CO)C[NH+]1CCCC1 ZINC000935983924 657534998 /nfs/dbraw/zinc/53/49/98/657534998.db2.gz FVGLUGCYPNPMIO-GXTWGEPZSA-N 1 0 396.285 1.448 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1Br ZINC000885880502 657582807 /nfs/dbraw/zinc/58/28/07/657582807.db2.gz RWWGGCXHLIPMAC-GFCCVEGCSA-N 1 0 384.274 1.841 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)cn2ncnc12 ZINC000885893747 657584344 /nfs/dbraw/zinc/58/43/44/657584344.db2.gz VYEIUZRCBSZGGT-CYBMUJFWSA-N 1 0 394.273 1.475 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCn2ncc(I)c2C1 ZINC000886199622 657614832 /nfs/dbraw/zinc/61/48/32/657614832.db2.gz CSRULHGNAMQUSV-LBPRGKRZSA-N 1 0 388.253 1.704 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886229125 657626951 /nfs/dbraw/zinc/62/69/51/657626951.db2.gz LHANJMQCPWERLB-MGPQQGTHSA-N 1 0 391.921 1.224 20 0 GDADRO O[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC[C@@H]1O ZINC000886262161 657632475 /nfs/dbraw/zinc/63/24/75/657632475.db2.gz LMSWOBADMHKEJH-WSXDHINRSA-N 1 0 381.274 1.784 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncc(Cl)s2)C3)CC[N@@H+]1C ZINC000998331029 657648110 /nfs/dbraw/zinc/64/81/10/657648110.db2.gz FQXMPDVXSYRMEK-KVSVUVNWSA-N 1 0 382.917 1.998 20 0 GDADRO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1S(=O)(=O)N(C)C ZINC000886561817 657674624 /nfs/dbraw/zinc/67/46/24/657674624.db2.gz JXEQMTXLWMKGSO-OKILXGFUSA-N 1 0 383.539 1.479 20 0 GDADRO O=C(C[N@@H+]1C[C@@H]2CSC[C@@H]2C1)NCC(=O)Nc1ccccc1Br ZINC000886564461 657675634 /nfs/dbraw/zinc/67/56/34/657675634.db2.gz XTWPNTYLINBAIB-TXEJJXNPSA-N 1 0 398.326 1.799 20 0 GDADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000886606727 657679185 /nfs/dbraw/zinc/67/91/85/657679185.db2.gz DYTCMVWEZVLRHQ-ZYHUDNBSSA-N 1 0 378.853 1.689 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2scnc2Cl)C3)C1 ZINC001002857229 657695252 /nfs/dbraw/zinc/69/52/52/657695252.db2.gz IQDKSEXHAQWOIL-LOWDOPEQSA-N 1 0 382.917 2.000 20 0 GDADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886805954 657696981 /nfs/dbraw/zinc/69/69/81/657696981.db2.gz LRVUMHRVJSJFDB-GMMCIKNFSA-N 1 0 382.404 1.213 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000886843698 657708973 /nfs/dbraw/zinc/70/89/73/657708973.db2.gz HBKIPYYSFQJLPA-OAHLLOKOSA-N 1 0 383.290 1.581 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)n2)C1 ZINC001004366671 657716504 /nfs/dbraw/zinc/71/65/04/657716504.db2.gz JUKJTZREDVGRMQ-SFTQSGBHSA-N 1 0 382.917 2.000 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000886890912 657719911 /nfs/dbraw/zinc/71/99/11/657719911.db2.gz YOQZDQKUQGEZNG-QMMMGPOBSA-N 1 0 389.275 1.404 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1C ZINC000886899098 657725584 /nfs/dbraw/zinc/72/55/84/657725584.db2.gz BQCXWAUCGFIFAG-LLVKDONJSA-N 1 0 377.413 1.696 20 0 GDADRO Cn1cc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc(Br)c1=O ZINC000886935361 657727894 /nfs/dbraw/zinc/72/78/94/657727894.db2.gz HTDLZEYHJKMBJR-QMMMGPOBSA-N 1 0 379.205 1.514 20 0 GDADRO CCN(C(=O)C(=O)Nc1cccc(C(=O)OC)c1Br)[C@@H]1CC[NH2+]C1 ZINC000887008072 657736870 /nfs/dbraw/zinc/73/68/70/657736870.db2.gz ZJTWZOODBDIRNE-SNVBAGLBSA-N 1 0 398.257 1.385 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)Nc1ccc(F)cc1Br ZINC000887032557 657740562 /nfs/dbraw/zinc/74/05/62/657740562.db2.gz DLTPBFKXSNJFSP-MRVPVSSYSA-N 1 0 394.191 1.888 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001022476346 657741281 /nfs/dbraw/zinc/74/12/81/657741281.db2.gz UQHPYHNTGGHEAI-CTTWBBHYSA-N 1 0 377.312 1.859 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887040457 657741888 /nfs/dbraw/zinc/74/18/88/657741888.db2.gz CXAKDVFDDYDQSS-INIZCTEOSA-N 1 0 381.274 1.775 20 0 GDADRO O=C(Nc1nc2c(s1)CSCC2)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887042132 657741967 /nfs/dbraw/zinc/74/19/67/657741967.db2.gz OZDRQWGOAKTJAS-KRWDZBQOSA-N 1 0 380.539 1.863 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000887035905 657742064 /nfs/dbraw/zinc/74/20/64/657742064.db2.gz ZNANRBGAZCTHRS-VIFPVBQESA-N 1 0 391.216 1.452 20 0 GDADRO CCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1C)[C@@H]1CC[NH2+]C1 ZINC000887067923 657748234 /nfs/dbraw/zinc/74/82/34/657748234.db2.gz BRSCLIGNYCDQLS-OAHLLOKOSA-N 1 0 382.302 1.926 20 0 GDADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000887077301 657752212 /nfs/dbraw/zinc/75/22/12/657752212.db2.gz IZSBDVLYKYOORG-CABCVRRESA-N 1 0 381.929 1.839 20 0 GDADRO [NH3+][C@@H]1CCCN(Cc2cn(C[C@@H](O)c3ccccc3Br)nn2)C1 ZINC000887451489 657784205 /nfs/dbraw/zinc/78/42/05/657784205.db2.gz NOOGHHPYMYDRSM-MLGOLLRUSA-N 1 0 380.290 1.697 20 0 GDADRO Cc1sc([C@@H]2CCS(=O)(=O)C2)nc1-c1cn(CC[NH+]2CCCC2)nn1 ZINC000887539997 657790934 /nfs/dbraw/zinc/79/09/34/657790934.db2.gz KNWXLDFKHWJBNN-CYBMUJFWSA-N 1 0 381.527 1.708 20 0 GDADRO C[N@H+](CCO)CCNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000887881552 657841100 /nfs/dbraw/zinc/84/11/00/657841100.db2.gz RWYAYCVVTDMYAY-UHFFFAOYSA-N 1 0 396.083 1.652 20 0 GDADRO Cn1cc(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c(Br)n1 ZINC000888145467 657867049 /nfs/dbraw/zinc/86/70/49/657867049.db2.gz LSSLCVOSPDRCCJ-UHFFFAOYSA-N 1 0 394.273 1.726 20 0 GDADRO CN1CCN(C(=O)c2cc(Br)c3nccn3c2)CC[N@H+](C)CC1 ZINC000888978130 657962613 /nfs/dbraw/zinc/96/26/13/657962613.db2.gz YHKKEANKXAXXBI-UHFFFAOYSA-N 1 0 380.290 1.416 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888980537 657963840 /nfs/dbraw/zinc/96/38/40/657963840.db2.gz GGAPIUMCUUORSD-UHFFFAOYSA-N 1 0 394.317 1.655 20 0 GDADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ncc(Br)cn2)CC1 ZINC000889713621 658019957 /nfs/dbraw/zinc/01/99/57/658019957.db2.gz UCZXPIQYLNXSAX-UHFFFAOYSA-N 1 0 384.322 1.662 20 0 GDADRO O=C(c1nc(Br)c2ccccn21)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889740272 658024613 /nfs/dbraw/zinc/02/46/13/658024613.db2.gz YAGQTAXVEJZSRI-QWHCGFSZSA-N 1 0 393.285 1.768 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889749052 658029350 /nfs/dbraw/zinc/02/93/50/658029350.db2.gz JAVKTTWQPONMCG-OLZOCXBDSA-N 1 0 384.274 1.529 20 0 GDADRO COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cnc1Br ZINC000889755259 658032640 /nfs/dbraw/zinc/03/26/40/658032640.db2.gz FCZVXHKELDTAQG-STQMWFEESA-N 1 0 384.274 1.524 20 0 GDADRO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)C1 ZINC000889817279 658057691 /nfs/dbraw/zinc/05/76/91/658057691.db2.gz RSVUBXVWJLDGDO-RISCZKNCSA-N 1 0 395.301 1.946 20 0 GDADRO CS(=O)(=O)N1CCC(NC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)CC1 ZINC000891364593 658231549 /nfs/dbraw/zinc/23/15/49/658231549.db2.gz YUMXGXNAVCGFIA-UHFFFAOYSA-N 1 0 388.921 1.234 20 0 GDADRO O=C(NCCS(=O)(=O)Cc1ccccc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891436915 658239837 /nfs/dbraw/zinc/23/98/37/658239837.db2.gz QPZFQKVJYARUQC-CQSZACIVSA-N 1 0 375.441 1.145 20 0 GDADRO O=C(NCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000891472518 658242685 /nfs/dbraw/zinc/24/26/85/658242685.db2.gz MZTBEYSEVQTEKX-GASCZTMLSA-N 1 0 395.301 1.715 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(Cc2ncc(Br)cc2O)CC1 ZINC000891927608 658284042 /nfs/dbraw/zinc/28/40/42/658284042.db2.gz SRRRUVBJWAZEOC-UHFFFAOYSA-N 1 0 383.290 1.290 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1nnn(C)n1 ZINC000891985561 658289075 /nfs/dbraw/zinc/28/90/75/658289075.db2.gz FINOZTVMAJCBDF-UHFFFAOYSA-N 1 0 382.266 1.223 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ncc(Br)cc2O)CC1 ZINC000892175539 658301919 /nfs/dbraw/zinc/30/19/19/658301919.db2.gz NOAHSGSLGLHMLI-AWEZNQCLSA-N 1 0 383.290 1.288 20 0 GDADRO COC(=O)c1nc(CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)ccc1Cl ZINC000892242429 658312726 /nfs/dbraw/zinc/31/27/26/658312726.db2.gz YZXFLDQKTVMQAK-SECBINFHSA-N 1 0 376.791 1.566 20 0 GDADRO [NH3+]C1(CNC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CCOCC1 ZINC000892279202 658315032 /nfs/dbraw/zinc/31/50/32/658315032.db2.gz RMAJZDWMCBCIJO-RRFJBIMHSA-N 1 0 380.286 1.894 20 0 GDADRO CNS(=O)(=O)c1ccccc1N1CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000892304889 658315844 /nfs/dbraw/zinc/31/58/44/658315844.db2.gz HSHQESJNACIRQK-UHFFFAOYSA-N 1 0 381.889 1.552 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892549564 658332617 /nfs/dbraw/zinc/33/26/17/658332617.db2.gz WONIBTHYDNBJKH-KCQAQPDRSA-N 1 0 384.318 1.945 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCNC(=O)c3cccc(Br)c3)[C@H]2C1 ZINC000892588379 658334920 /nfs/dbraw/zinc/33/49/20/658334920.db2.gz GSNRTPHPRNZNRM-HIFRSBDPSA-N 1 0 395.301 1.524 20 0 GDADRO Cc1ccc(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000892694413 658343411 /nfs/dbraw/zinc/34/34/11/658343411.db2.gz IJUJKAFAYJJWRB-HNNXBMFYSA-N 1 0 381.318 1.947 20 0 GDADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC(=O)N1CCN(C)CC1 ZINC000892714774 658345409 /nfs/dbraw/zinc/34/54/09/658345409.db2.gz RRZWOOIUPKDWFV-UHFFFAOYSA-N 1 0 383.290 1.271 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000892761635 658348222 /nfs/dbraw/zinc/34/82/22/658348222.db2.gz WZQUJWSKWGFHTP-UHFFFAOYSA-N 1 0 392.319 1.827 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cs1)C(N)=O ZINC000892759277 658348261 /nfs/dbraw/zinc/34/82/61/658348261.db2.gz NEZKQYWTDUSGQW-DYVFJYSZSA-N 1 0 382.555 1.642 20 0 GDADRO CS(=O)(=O)N1CCC(C[NH2+]C2CC(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000892849985 658354320 /nfs/dbraw/zinc/35/43/20/658354320.db2.gz CCTXLFXAOIPBGN-UHFFFAOYSA-N 1 0 386.539 1.253 20 0 GDADRO CCOC(=O)c1ncc(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)s1 ZINC000892881168 658358187 /nfs/dbraw/zinc/35/81/87/658358187.db2.gz PUABKFVVODLAFM-UHFFFAOYSA-N 1 0 384.479 1.892 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1 ZINC000893359921 658397188 /nfs/dbraw/zinc/39/71/88/658397188.db2.gz FFZQNFVWSHRWKL-VFNXUKNFSA-N 1 0 386.539 1.299 20 0 GDADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000893934550 658478692 /nfs/dbraw/zinc/47/86/92/658478692.db2.gz HMNYEPLSAUCMME-UHFFFAOYSA-N 1 0 375.288 1.932 20 0 GDADRO CS(=O)(=O)C1CC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)C1 ZINC000894031809 658497223 /nfs/dbraw/zinc/49/72/23/658497223.db2.gz LUBMXOJNJKEONW-LRVUVFPRSA-N 1 0 376.316 1.765 20 0 GDADRO Cn1cc(C[NH2+]CCCOC[C@@H]2CCCO2)c(I)n1 ZINC000894154462 658512797 /nfs/dbraw/zinc/51/27/97/658512797.db2.gz YVWWJYQTDNZZMI-LBPRGKRZSA-N 1 0 379.242 1.700 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNCc2cn(C)nc2I)C[C@H](C)O1 ZINC000894161773 658513922 /nfs/dbraw/zinc/51/39/22/658513922.db2.gz WKWSSHSQQWNEQA-TXEJJXNPSA-N 1 0 392.285 1.614 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNCc1cn(C)nc1I ZINC000894219196 658523276 /nfs/dbraw/zinc/52/32/76/658523276.db2.gz FVBPQLDCWKMEJO-LBPRGKRZSA-N 1 0 378.258 1.225 20 0 GDADRO Cn1nc(Br)nc1C[NH2+][C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000894276305 658531937 /nfs/dbraw/zinc/53/19/37/658531937.db2.gz JTDDLTBBFCLDKI-HNNXBMFYSA-N 1 0 394.317 1.611 20 0 GDADRO C[NH+](C)C1(CNC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)CCC1 ZINC000894332073 658540241 /nfs/dbraw/zinc/54/02/41/658540241.db2.gz LVMWMOABTLSVIH-LBPRGKRZSA-N 1 0 396.289 1.491 20 0 GDADRO COC(=O)c1cnc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)s1 ZINC000894374387 658547106 /nfs/dbraw/zinc/54/71/06/658547106.db2.gz BQKYTQLOYVJHHT-UHFFFAOYSA-N 1 0 375.516 1.470 20 0 GDADRO COC(=O)CC1([NH2+]Cc2cn(C)nc2I)CCCC1 ZINC000894602289 658589649 /nfs/dbraw/zinc/58/96/49/658589649.db2.gz YBVNTEYLCDWRDR-UHFFFAOYSA-N 1 0 377.226 1.990 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000894696555 658599449 /nfs/dbraw/zinc/59/94/49/658599449.db2.gz YQVIUTYBCBOQRQ-YOEHRIQHSA-N 1 0 377.551 1.941 20 0 GDADRO CCOC(=O)c1ncc(Br)c(N2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000894953232 658640540 /nfs/dbraw/zinc/64/05/40/658640540.db2.gz GHADUOQSYYCVRY-UHFFFAOYSA-N 1 0 387.278 1.309 20 0 GDADRO CS(=O)(=O)CC1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCC1 ZINC000895012256 658648745 /nfs/dbraw/zinc/64/87/45/658648745.db2.gz PGJAYNYAMMIUPQ-UHFFFAOYSA-N 1 0 393.962 1.938 20 0 GDADRO CON(C)C(=O)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000895043226 658651996 /nfs/dbraw/zinc/65/19/96/658651996.db2.gz QVMCDOISANLVIS-UHFFFAOYSA-N 1 0 398.301 1.972 20 0 GDADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000895135082 658669785 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1.027 20 0 GDADRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903396024 659314834 /nfs/dbraw/zinc/31/48/34/659314834.db2.gz OKBQAWOITCHNQU-XUJVJEKNSA-N 1 0 376.500 1.098 20 0 GDADRO O=S(=O)(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1coc2ccccc21 ZINC000903497564 659319019 /nfs/dbraw/zinc/31/90/19/659319019.db2.gz KERBOSSIGSOQML-AWEZNQCLSA-N 1 0 377.388 1.547 20 0 GDADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(I)s1 ZINC000903500772 659319465 /nfs/dbraw/zinc/31/94/65/659319465.db2.gz XVSJVDXILSBIOJ-MRVPVSSYSA-N 1 0 398.291 1.773 20 0 GDADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903510849 659321237 /nfs/dbraw/zinc/32/12/37/659321237.db2.gz MJZWSDYLHXIUDT-SNVBAGLBSA-N 1 0 391.287 1.678 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2c(Br)ccc(OC)c2F)C1 ZINC000903513002 659322569 /nfs/dbraw/zinc/32/25/69/659322569.db2.gz MVBPIVUDUWNWLI-VIFPVBQESA-N 1 0 381.267 1.827 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1c[nH]c2ncc(Cl)cc12 ZINC000903517216 659324898 /nfs/dbraw/zinc/32/48/98/659324898.db2.gz LCNDKRGKNUCNMK-GFCCVEGCSA-N 1 0 384.889 1.653 20 0 GDADRO Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1C ZINC000903525966 659329959 /nfs/dbraw/zinc/32/99/59/659329959.db2.gz XNEYLBFJWXYZFH-MCIONIFRSA-N 1 0 385.511 1.229 20 0 GDADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c1 ZINC000903542461 659334730 /nfs/dbraw/zinc/33/47/30/659334730.db2.gz INDIYHBJCZRLLB-UHFFFAOYSA-N 1 0 376.862 1.255 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903543821 659335170 /nfs/dbraw/zinc/33/51/70/659335170.db2.gz NYOOWZNRZGLKGP-UHFFFAOYSA-N 1 0 393.303 1.586 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2onc(Cl)c2c1 ZINC000903544134 659335255 /nfs/dbraw/zinc/33/52/55/659335255.db2.gz IQRMHRCLVOWHJI-NSHDSACASA-N 1 0 385.873 1.918 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000903546865 659336731 /nfs/dbraw/zinc/33/67/31/659336731.db2.gz BDJGMSKKGUQORB-ZDUSSCGKSA-N 1 0 389.315 1.886 20 0 GDADRO COc1ccc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000903547280 659336844 /nfs/dbraw/zinc/33/68/44/659336844.db2.gz OKFRHVLUHMBNAT-GHMZBOCLSA-N 1 0 377.304 1.982 20 0 GDADRO O=S(=O)(C[C@@H]1CCCC1(F)F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903561046 659341067 /nfs/dbraw/zinc/34/10/67/659341067.db2.gz DFIAWMRORDCWIM-CWRNSKLLSA-N 1 0 377.501 1.652 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(I)cc1 ZINC000903563026 659342064 /nfs/dbraw/zinc/34/20/64/659342064.db2.gz NNRNDXILVYVQDT-MVWJERBFSA-N 1 0 378.235 1.462 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)NCCN2CCC([NH3+])CC2)c1 ZINC000903566333 659343460 /nfs/dbraw/zinc/34/34/60/659343460.db2.gz PZDASXUPHPKOTJ-UHFFFAOYSA-N 1 0 392.319 1.159 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NC[C@H]2CCCCC[NH2+]2)ccc1Cl ZINC000903566952 659343812 /nfs/dbraw/zinc/34/38/12/659343812.db2.gz OPQSJYSSVJGROX-LLVKDONJSA-N 1 0 380.919 1.554 20 0 GDADRO CCN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903572828 659345579 /nfs/dbraw/zinc/34/55/79/659345579.db2.gz GIIVFKTWLANWNN-CHWSQXEVSA-N 1 0 379.404 1.289 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(F)c1 ZINC000903579182 659349776 /nfs/dbraw/zinc/34/97/76/659349776.db2.gz MGJNPJWGLLFVJK-GXSJLCMTSA-N 1 0 384.351 1.513 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2cccc3c2OCCCO3)CC[C@@H]1C(F)(F)F ZINC000903579938 659350853 /nfs/dbraw/zinc/35/08/53/659350853.db2.gz RFOVUVIPRWTKLL-QWRGUYRKSA-N 1 0 380.388 1.748 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903580136 659351154 /nfs/dbraw/zinc/35/11/54/659351154.db2.gz SGSLRZQEEVMASQ-WDEREUQCSA-N 1 0 385.433 1.284 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903583651 659353160 /nfs/dbraw/zinc/35/31/60/659353160.db2.gz CDCJJWWXRJNNQL-GFCCVEGCSA-N 1 0 380.388 1.850 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000903584274 659353342 /nfs/dbraw/zinc/35/33/42/659353342.db2.gz KTTNOJWHTOBOAY-CYBMUJFWSA-N 1 0 376.320 1.873 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H]4CC[C@@]43C[NH3+])c(Cl)cc21 ZINC000903584681 659353563 /nfs/dbraw/zinc/35/35/63/659353563.db2.gz LFXKVOPRNKKYOT-SUMWQHHRSA-N 1 0 383.901 1.751 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000903584519 659353757 /nfs/dbraw/zinc/35/37/57/659353757.db2.gz NDLXVKDGAGADNW-LBPRGKRZSA-N 1 0 391.287 1.594 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000903588264 659355435 /nfs/dbraw/zinc/35/54/35/659355435.db2.gz FZNDHQYWDLRJRB-HZMBPMFUSA-N 1 0 377.388 1.689 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1OC ZINC000903592116 659356802 /nfs/dbraw/zinc/35/68/02/659356802.db2.gz BTHFNSNMPGRGNS-INIZCTEOSA-N 1 0 387.889 1.225 20 0 GDADRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)c2)CC1 ZINC000903622456 659363542 /nfs/dbraw/zinc/36/35/42/659363542.db2.gz VYPIVHIPVYRTDA-XMMPIXPASA-N 1 0 389.547 1.060 20 0 GDADRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)N=[S@@](C)(=O)N(C)C)CC1 ZINC000903626244 659363918 /nfs/dbraw/zinc/36/39/18/659363918.db2.gz IIDIXJUNUCTWCI-XMMPIXPASA-N 1 0 388.559 1.797 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)C[C@H]1CC[NH3+] ZINC000903757194 659378962 /nfs/dbraw/zinc/37/89/62/659378962.db2.gz VKWOCDNPNDWKPH-TZMCWYRMSA-N 1 0 394.313 1.777 20 0 GDADRO CN(Cc1ccc(F)c(Cl)c1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903754838 659379079 /nfs/dbraw/zinc/37/90/79/659379079.db2.gz RWHBXLXKLFPUHF-BXKDBHETSA-N 1 0 381.757 1.786 20 0 GDADRO O=C(C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCS[C@H](C(F)(F)F)C1 ZINC000903778333 659380530 /nfs/dbraw/zinc/38/05/30/659380530.db2.gz MHCOTMQIJNWQQA-WFASDCNBSA-N 1 0 379.448 1.485 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCc2ccc(Br)c(F)c2C1 ZINC000903793546 659381119 /nfs/dbraw/zinc/38/11/19/659381119.db2.gz YXZHKSSSZUHYAW-UHFFFAOYSA-N 1 0 386.265 1.669 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903802102 659381697 /nfs/dbraw/zinc/38/16/97/659381697.db2.gz SIOKJOCLAPLBHZ-WFASDCNBSA-N 1 0 395.301 1.705 20 0 GDADRO COC[C@H]1C[NH2+]CCN1Cc1cc(OC)c(C(=O)OC)cc1Br ZINC000903881422 659387684 /nfs/dbraw/zinc/38/76/84/659387684.db2.gz DGRBEEBLBFVUGI-GFCCVEGCSA-N 1 0 387.274 1.665 20 0 GDADRO [NH3+][C@@H](CC(F)F)CN1CCC(n2nncc2I)CC1 ZINC000903933394 659389672 /nfs/dbraw/zinc/38/96/72/659389672.db2.gz QIENKZIVDBQXTQ-QMMMGPOBSA-N 1 0 385.200 1.502 20 0 GDADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1Cl ZINC000903969650 659391307 /nfs/dbraw/zinc/39/13/07/659391307.db2.gz IDDOMIYHVOKUOC-DZGCQCFKSA-N 1 0 387.933 1.732 20 0 GDADRO COc1nc(N2CCN(C[C@@]3(C)CCC[NH2+]C3)CC2)ncc1Br ZINC000904338031 659399458 /nfs/dbraw/zinc/39/94/58/659399458.db2.gz LKCGJACUTXHKKY-INIZCTEOSA-N 1 0 384.322 1.759 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)Nc1ccncc1I ZINC000904411708 659400200 /nfs/dbraw/zinc/40/02/00/659400200.db2.gz WRTCAACXEFLWLR-QMTHXVAHSA-N 1 0 386.237 1.843 20 0 GDADRO COCCOCCOc1ccc(NC(=O)N[C@@H](C)C[NH3+])cc1Br ZINC000904545600 659403302 /nfs/dbraw/zinc/40/33/02/659403302.db2.gz IVJXOARZGMVHHH-NSHDSACASA-N 1 0 390.278 1.960 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCc2cc(Cl)cc(Br)c2C1 ZINC000904991931 659415889 /nfs/dbraw/zinc/41/58/89/659415889.db2.gz ZGBOUBNHBOPUTE-UHFFFAOYSA-N 1 0 388.693 1.665 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905006545 659416857 /nfs/dbraw/zinc/41/68/57/659416857.db2.gz IWBCPVFIJGFJNO-BMIGLBTASA-N 1 0 386.315 1.809 20 0 GDADRO CC[C@](O)(C[NH2+]Cc1ccc(S(=O)(=O)NCCOC)cc1)C(F)(F)F ZINC000905049690 659419125 /nfs/dbraw/zinc/41/91/25/659419125.db2.gz LBYGQVDABSJNAJ-AWEZNQCLSA-N 1 0 384.420 1.404 20 0 GDADRO C[C@](O)(C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)C(F)(F)C(F)(F)F ZINC000905103176 659424537 /nfs/dbraw/zinc/42/45/37/659424537.db2.gz JSHFOYSOBXLYGY-QWRGUYRKSA-N 1 0 398.394 1.013 20 0 GDADRO CN(C)[C@@]1(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCSC1 ZINC000905146063 659427167 /nfs/dbraw/zinc/42/71/67/659427167.db2.gz FBPADJBKACTMHF-GOEBONIOSA-N 1 0 393.619 1.015 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1nccs1 ZINC000905210432 659433378 /nfs/dbraw/zinc/43/33/78/659433378.db2.gz VCQURYQBONZXHB-QWHCGFSZSA-N 1 0 375.560 1.838 20 0 GDADRO O[C@@H](C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)C1(O)CCOCC1 ZINC000905236031 659435393 /nfs/dbraw/zinc/43/53/93/659435393.db2.gz DEBMKSYWILQYBP-ZBFHGGJFSA-N 1 0 385.302 1.520 20 0 GDADRO COCC1CCC([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905290709 659440968 /nfs/dbraw/zinc/44/09/68/659440968.db2.gz LWIGUXXWSBLZGB-UYSNPLJNSA-N 1 0 376.563 1.783 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@]2(C)CCCC[C@H]2O)CCC1 ZINC000905358341 659446607 /nfs/dbraw/zinc/44/66/07/659446607.db2.gz DMEMXIODXRQWAF-INMHGKMJSA-N 1 0 376.563 1.519 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1C(F)(F)F ZINC000905356289 659446685 /nfs/dbraw/zinc/44/66/85/659446685.db2.gz MLEGVEQUHBUMSZ-GFCCVEGCSA-N 1 0 380.436 1.838 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C2(C)C)c1OC ZINC000905360863 659446967 /nfs/dbraw/zinc/44/69/67/659446967.db2.gz ZZPWDVOBPHWDRU-GFCCVEGCSA-N 1 0 376.862 1.554 20 0 GDADRO OC[C@H](C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)Cc1ccccc1Br ZINC000905368178 659448675 /nfs/dbraw/zinc/44/86/75/659448675.db2.gz YMGLEKWBKWPJGK-QRTARXTBSA-N 1 0 388.302 1.092 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+]C[C@@H](O)C2(O)CCC2)cc1Br ZINC000905371278 659449126 /nfs/dbraw/zinc/44/91/26/659449126.db2.gz IOLVLWSBSLGTMG-XJKSGUPXSA-N 1 0 388.302 1.474 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H]1CCN1CC ZINC000905443038 659454019 /nfs/dbraw/zinc/45/40/19/659454019.db2.gz XWCZFLKOGLLNOL-OAHLLOKOSA-N 1 0 388.555 1.328 20 0 GDADRO O[C@@H](C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)C[C@@]1(O)CCOC1 ZINC000905476962 659456443 /nfs/dbraw/zinc/45/64/43/659456443.db2.gz BOKGYWHWUJXSHK-SJORKVTESA-N 1 0 396.285 1.627 20 0 GDADRO C[C@H](OC[C@@H](O)C[NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccc(Cl)cc1 ZINC000905482506 659457893 /nfs/dbraw/zinc/45/78/93/659457893.db2.gz VLWWXTGGCIAYTA-BBRMVZONSA-N 1 0 390.933 1.792 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000905515281 659461299 /nfs/dbraw/zinc/46/12/99/659461299.db2.gz CNLIBJDCRQVGQI-WDEREUQCSA-N 1 0 375.409 1.442 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000905559142 659465466 /nfs/dbraw/zinc/46/54/66/659465466.db2.gz VRFOSHKYTZTHGN-DZGCQCFKSA-N 1 0 381.416 1.402 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000905666321 659473290 /nfs/dbraw/zinc/47/32/90/659473290.db2.gz ZHZVVIWLYCXGKP-OAHLLOKOSA-N 1 0 380.432 1.624 20 0 GDADRO O=c1cc(N2CC[C@H]([NH2+]C[C@@H](O)c3ccccc3Br)C2)nc[nH]1 ZINC000905697546 659476570 /nfs/dbraw/zinc/47/65/70/659476570.db2.gz UUDHHQZRHHLYIB-SMDDNHRTSA-N 1 0 379.258 1.847 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1Cn1c(=O)ccn(Cc2cccc(Br)c2)c1=O ZINC000905733298 659479559 /nfs/dbraw/zinc/47/95/59/659479559.db2.gz HOPANRILPLWNLX-OCCSQVGLSA-N 1 0 378.270 1.676 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000905908559 659494149 /nfs/dbraw/zinc/49/41/49/659494149.db2.gz OZMYJILDICURBR-AWEZNQCLSA-N 1 0 379.320 1.744 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C1CC1 ZINC000906338544 659531778 /nfs/dbraw/zinc/53/17/78/659531778.db2.gz LSJHWPNONLXOBE-HNNXBMFYSA-N 1 0 387.527 1.173 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906671695 659568036 /nfs/dbraw/zinc/56/80/36/659568036.db2.gz HFINCYLYSFTJBK-CYBMUJFWSA-N 1 0 394.317 1.853 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000906709522 659574412 /nfs/dbraw/zinc/57/44/12/659574412.db2.gz ZLYAJKCDVCLBSO-ZDUSSCGKSA-N 1 0 384.274 1.901 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000906707716 659574468 /nfs/dbraw/zinc/57/44/68/659574468.db2.gz VOHGJYRZUGJGPR-GFCCVEGCSA-N 1 0 384.274 1.819 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)ccc1Br ZINC000906728031 659576766 /nfs/dbraw/zinc/57/67/66/659576766.db2.gz UHCSORJRFRPHQM-JIMOISOXSA-N 1 0 396.241 1.183 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000906764617 659583531 /nfs/dbraw/zinc/58/35/31/659583531.db2.gz FGBHBIJVQIDSHL-INIZCTEOSA-N 1 0 382.258 1.751 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000906772590 659585091 /nfs/dbraw/zinc/58/50/91/659585091.db2.gz YYKFDBDYVWNFRR-SNVBAGLBSA-N 1 0 377.388 1.684 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000906777818 659585450 /nfs/dbraw/zinc/58/54/50/659585450.db2.gz BHQJADQNTWHAHC-VIFPVBQESA-N 1 0 376.240 1.387 20 0 GDADRO CO[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000906856627 659602551 /nfs/dbraw/zinc/60/25/51/659602551.db2.gz QRFIOFZCVWNVLW-GFCCVEGCSA-N 1 0 377.304 1.771 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)oc1Cl ZINC000907074782 659660277 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MXKPDPOVCKMEID-UHFFFAOYSA-N 1 0 385.555 1.759 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCSCc1ccnc(Cl)c1)C2 ZINC000910949726 659989129 /nfs/dbraw/zinc/98/91/29/659989129.db2.gz MBOYGFOASLEZAA-MJBXVCDLSA-N 1 0 382.917 1.423 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000910969871 659989465 /nfs/dbraw/zinc/98/94/65/659989465.db2.gz ISPVIQLARGAXRE-AQNFWKISSA-N 1 0 380.286 1.505 20 0 GDADRO [NH3+][C@H]1CN(C(=O)C(=O)NCCc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000910988886 659990273 /nfs/dbraw/zinc/99/02/73/659990273.db2.gz AYZORZFBCGYALT-OLZOCXBDSA-N 1 0 377.794 1.737 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2cc(Br)ccc2F)C[C@H]1C[NH3+] ZINC000911004439 659990645 /nfs/dbraw/zinc/99/06/45/659990645.db2.gz PVWICTLHLDTDGS-ZYHUDNBSSA-N 1 0 386.265 1.300 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000911029210 659991266 /nfs/dbraw/zinc/99/12/66/659991266.db2.gz LOMINPNIDRCGGI-IRUJWGPZSA-N 1 0 382.258 1.242 20 0 GDADRO 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C[NH+]1CCC(O)(CNS(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC000914172299 660123017 /nfs/dbraw/zinc/12/30/17/660123017.db2.gz DDQKLKUHGSSLBJ-UHFFFAOYSA-N 1 0 395.294 1.464 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)Cc1cccc(F)c1Br ZINC000914185701 660124859 /nfs/dbraw/zinc/12/48/59/660124859.db2.gz OOLYIKYTNGJWMU-UHFFFAOYSA-N 1 0 397.310 1.976 20 0 GDADRO O=C(NCCN1CCc2sccc2C1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914328047 660140004 /nfs/dbraw/zinc/14/00/04/660140004.db2.gz DYHWSBYZRVPAIA-JKSUJKDBSA-N 1 0 380.583 1.985 20 0 GDADRO COc1ncc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000914349926 660141801 /nfs/dbraw/zinc/14/18/01/660141801.db2.gz SWVAGMQMJGZZMB-CQSZACIVSA-N 1 0 383.495 1.197 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000914372820 660143936 /nfs/dbraw/zinc/14/39/36/660143936.db2.gz ZCYSZEDYYGIRLY-CYBMUJFWSA-N 1 0 397.722 1.589 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000914601150 660153143 /nfs/dbraw/zinc/15/31/43/660153143.db2.gz 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GDADRO CNC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164812867 720200039 /nfs/dbraw/zinc/20/00/39/720200039.db2.gz MRUIANNARRTQIJ-IFXJQAMLSA-N 1 0 393.919 1.674 20 0 GDADRO COC(=O)c1cccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164810294 720210502 /nfs/dbraw/zinc/21/05/02/720210502.db2.gz BHXZIBZOEPRIQT-UHFFFAOYSA-N 1 0 385.468 1.675 20 0 GDADRO COCc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)n1 ZINC001164818930 720312797 /nfs/dbraw/zinc/31/27/97/720312797.db2.gz BSHMGFNKNVSGNU-RBUKOAKNSA-N 1 0 387.528 1.843 20 0 GDADRO Cn1cnc2cnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164818907 720314136 /nfs/dbraw/zinc/31/41/36/720314136.db2.gz BNDDYIMFDSKWPK-SJORKVTESA-N 1 0 383.500 1.275 20 0 GDADRO COC(=O)c1cncnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830200 720320600 /nfs/dbraw/zinc/32/06/00/720320600.db2.gz OXZUOHOTEYBDII-SJORKVTESA-N 1 0 387.484 1.175 20 0 GDADRO Cc1cc(C)[nH+]c(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)c1 ZINC001164822045 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C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571300233 946278283 /nfs/dbraw/zinc/27/82/83/946278283.db2.gz XNRQRBWXDXLRKO-HZSPNIEDSA-N 1 0 390.513 1.539 20 0 GDADRO O=C(CC1CCOCC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571300336 946280700 /nfs/dbraw/zinc/28/07/00/946280700.db2.gz ZZGIVAJOIGMMEE-CQSZACIVSA-N 1 0 390.513 1.826 20 0 GDADRO Cc1nsc(N[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)c1-c1nn[nH]n1 ZINC001571300313 946281370 /nfs/dbraw/zinc/28/13/70/946281370.db2.gz ZJYZDZBMUBJOAJ-MFKMUULPSA-N 1 0 390.517 1.232 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H]([NH2+]Cc2nccn2C(F)F)C1 ZINC001571302237 946298172 /nfs/dbraw/zinc/29/81/72/946298172.db2.gz SDANWLGNFGYXAL-NSHDSACASA-N 1 0 391.386 1.181 20 0 GDADRO O=C(Cc1cccnc1)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571305633 946369430 /nfs/dbraw/zinc/36/94/30/946369430.db2.gz HZEQIGMLTGMJCU-MOPGFXCFSA-N 1 0 391.479 1.879 20 0 GDADRO Cc1cncc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571306384 946396622 /nfs/dbraw/zinc/39/66/22/946396622.db2.gz UTUFBVQFDAOILC-IBGZPJMESA-N 1 0 391.479 1.893 20 0 GDADRO C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001571306747 946410124 /nfs/dbraw/zinc/41/01/24/946410124.db2.gz OQIDHACAFXAQIV-ZDUSSCGKSA-N 1 0 391.479 1.934 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571308544 946432959 /nfs/dbraw/zinc/43/29/59/946432959.db2.gz QPLMIPHFQOBQOV-ACJLOTCBSA-N 1 0 392.410 1.167 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)[C@@H]1CC1(F)F ZINC001571309051 946439623 /nfs/dbraw/zinc/43/96/23/946439623.db2.gz WKYKKUUHTXVEDS-XQLPTFJDSA-N 1 0 392.385 1.455 20 0 GDADRO C[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCN(C(=O)c2cnccn2)CC1 ZINC001571310502 946473296 /nfs/dbraw/zinc/47/32/96/946473296.db2.gz HSIUGOGIMBUEIG-AWEZNQCLSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCCN1C(=O)c1ccncn1 ZINC001571311355 946484671 /nfs/dbraw/zinc/48/46/71/946484671.db2.gz WGBMWMKLORXDMM-KBXCAEBGSA-N 1 0 392.467 1.830 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571312739 946500267 /nfs/dbraw/zinc/50/02/67/946500267.db2.gz CEFCPPJEMDKFBI-KDOFPFPSSA-N 1 0 392.467 1.226 20 0 GDADRO CCN(C(=O)c1nccc(C)n1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571313532 946525043 /nfs/dbraw/zinc/52/50/43/946525043.db2.gz RCFUIELKTAVNTR-KRWDZBQOSA-N 1 0 392.467 1.702 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571313629 946528060 /nfs/dbraw/zinc/52/80/60/946528060.db2.gz ROTMIOYKKDHJEY-FZKQIMNGSA-N 1 0 392.467 1.322 20 0 GDADRO C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)c1cccc(N(C)C)c1 ZINC001571313850 946535658 /nfs/dbraw/zinc/53/56/58/946535658.db2.gz XDJFQUPJCJAMJH-ZFWWWQNUSA-N 1 0 392.467 1.465 20 0 GDADRO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000823989489 946536266 /nfs/dbraw/zinc/53/62/66/946536266.db2.gz ZGYYDLNNWKILSP-QGZVFWFLSA-N 1 0 380.456 1.368 20 0 GDADRO CN(C)c1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571314049 946539699 /nfs/dbraw/zinc/53/96/99/946539699.db2.gz ZCWRVFMKADRYTA-WKILWMFISA-N 1 0 392.467 1.378 20 0 GDADRO Cc1cc(N[C@@H]2CCC[C@@H]3CN(C(=O)c4cc[nH]c4)C[C@@H]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314736 946541916 /nfs/dbraw/zinc/54/19/16/946541916.db2.gz BSDXTAZQTNBWFW-HYVNUMGLSA-N 1 0 392.467 1.673 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314915 946544765 /nfs/dbraw/zinc/54/47/65/946544765.db2.gz DMMNWFZNXKCNQF-SCLBCKFNSA-N 1 0 392.467 1.576 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571314926 946548657 /nfs/dbraw/zinc/54/86/57/946548657.db2.gz DQISKBJKVOUZAO-OXQOHEQNSA-N 1 0 392.467 1.825 20 0 GDADRO Cc1n[nH]cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]2C1 ZINC001571316062 946563450 /nfs/dbraw/zinc/56/34/50/946563450.db2.gz SUYDGCKBBPUGCU-SJORKVTESA-N 1 0 392.467 1.492 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccc(-c4nn[nH]n4)cc2)C3)n1 ZINC001571316039 946564300 /nfs/dbraw/zinc/56/43/00/946564300.db2.gz SFMDNQVQOMPPCX-UAGQMJEPSA-N 1 0 392.467 1.681 20 0 GDADRO Cc1nccc(CCC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571316347 946574286 /nfs/dbraw/zinc/57/42/86/946574286.db2.gz AHADZOMEOKZEED-QGZVFWFLSA-N 1 0 392.467 1.288 20 0 GDADRO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571316389 946574994 /nfs/dbraw/zinc/57/49/94/946574994.db2.gz BGAQWFWCULNPGZ-XWTMOSNGSA-N 1 0 392.467 1.141 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001571316449 946576299 /nfs/dbraw/zinc/57/62/99/946576299.db2.gz CSTQPDDLJZWXFP-UHFFFAOYSA-N 1 0 392.467 1.586 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)n1 ZINC001571316487 946579020 /nfs/dbraw/zinc/57/90/20/946579020.db2.gz DKPJETPVELJJJA-MRXNPFEDSA-N 1 0 392.467 1.525 20 0 GDADRO Cc1nccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571316608 946581845 /nfs/dbraw/zinc/58/18/45/946581845.db2.gz HUACPYSGAUOREJ-INIZCTEOSA-N 1 0 392.467 1.702 20 0 GDADRO O=C(Cc1c[nH]cn1)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571316771 946586946 /nfs/dbraw/zinc/58/69/46/946586946.db2.gz MIHFWGRVIPNXQW-JXFKEZNVSA-N 1 0 392.467 1.303 20 0 GDADRO O=C(CCc1ccccn1)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571316754 946587313 /nfs/dbraw/zinc/58/73/13/946587313.db2.gz LMWCAMNWRCCHMP-HNNXBMFYSA-N 1 0 392.467 1.362 20 0 GDADRO O=C(CCc1c[nH]cn1)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571316808 946589041 /nfs/dbraw/zinc/58/90/41/946589041.db2.gz NCCKXXSBODNTMX-UHFFFAOYSA-N 1 0 392.467 1.257 20 0 GDADRO Cc1ncccc1C[N@@H+]1CC[C@@]2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC[C@@H]12 ZINC001571317170 946602163 /nfs/dbraw/zinc/60/21/63/946602163.db2.gz WZESOIQAIDJPRW-XLIONFOSSA-N 1 0 392.467 1.825 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCn2cncc2C1 ZINC001571317550 946614172 /nfs/dbraw/zinc/61/41/72/946614172.db2.gz MEUIHYNIVNKJCD-IRXDYDNUSA-N 1 0 392.467 1.016 20 0 GDADRO CC(C)[C@@H](O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571317755 946619560 /nfs/dbraw/zinc/61/95/60/946619560.db2.gz UIBNJNJXRNFKOK-DVOMOZLQSA-N 1 0 392.529 1.662 20 0 GDADRO O=C(c1cnn(CC2CC2)c1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571317855 946623154 /nfs/dbraw/zinc/62/31/54/946623154.db2.gz XPAWNIHKDBMXOA-KRWDZBQOSA-N 1 0 392.467 1.478 20 0 GDADRO C[C@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824488693 946736371 /nfs/dbraw/zinc/73/63/71/946736371.db2.gz HGPOJEHQAOTCOH-HNNXBMFYSA-N 1 0 386.504 1.207 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553729 946794669 /nfs/dbraw/zinc/79/46/69/946794669.db2.gz GENCXKMYVIQPSW-CZUORRHYSA-N 1 0 377.452 1.895 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc([S@](C)=O)cc1 ZINC000824564162 946804590 /nfs/dbraw/zinc/80/45/90/946804590.db2.gz SRPTWGMVEHQDGB-QYSRSOONSA-N 1 0 398.492 1.571 20 0 GDADRO C[C@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824868935 946964196 /nfs/dbraw/zinc/96/41/96/946964196.db2.gz XSPOXVZDTQRJJL-MAUKXSAKSA-N 1 0 384.484 1.716 20 0 GDADRO C[C@@H]1C[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC(C)(C)C1 ZINC000824984981 947023476 /nfs/dbraw/zinc/02/34/76/947023476.db2.gz PZFBGSXVZFXOAB-AWEZNQCLSA-N 1 0 397.483 1.956 20 0 GDADRO CC[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000825122125 947088570 /nfs/dbraw/zinc/08/85/70/947088570.db2.gz XFIIYKRVFMWFFB-INIZCTEOSA-N 1 0 395.467 1.659 20 0 GDADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825435396 947189672 /nfs/dbraw/zinc/18/96/72/947189672.db2.gz WSTVFMRFAJLPKY-UHFFFAOYSA-N 1 0 383.456 1.816 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573591989 947323972 /nfs/dbraw/zinc/32/39/72/947323972.db2.gz HUEXLVDPKBKUTE-YOEHRIQHSA-N 1 0 388.516 1.800 20 0 GDADRO CCn1cnnc1CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825804474 947336970 /nfs/dbraw/zinc/33/69/70/947336970.db2.gz BSLXSFPCQHMHBL-UHFFFAOYSA-N 1 0 381.488 1.275 20 0 GDADRO C[C@H](C(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001573592795 947347830 /nfs/dbraw/zinc/34/78/30/947347830.db2.gz MWDLPTIVEZPKEX-CQSZACIVSA-N 1 0 382.472 1.643 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825866530 947349733 /nfs/dbraw/zinc/34/97/33/947349733.db2.gz ZSRNIMJBVYGYSG-INIZCTEOSA-N 1 0 386.481 1.552 20 0 GDADRO C[C@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573594355 947390769 /nfs/dbraw/zinc/39/07/69/947390769.db2.gz YIABESFUVSQRFX-GUYCJALGSA-N 1 0 385.472 1.504 20 0 GDADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825981802 947393729 /nfs/dbraw/zinc/39/37/29/947393729.db2.gz YGLBTQHPXGKDMQ-SFHVURJKSA-N 1 0 394.479 1.927 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029802 947408032 /nfs/dbraw/zinc/40/80/32/947408032.db2.gz XAYMPAOKCNZMLL-YJBOKZPZSA-N 1 0 383.500 1.636 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)c(F)c2)c1-c1nn[nH]n1 ZINC000826083556 947424315 /nfs/dbraw/zinc/42/43/15/947424315.db2.gz MVZQWFPWEWUXCH-UHFFFAOYSA-N 1 0 378.799 1.787 20 0 GDADRO CC(C(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]cc1-c1nn[nH]n1)=C1CCCC1 ZINC001573596135 947426824 /nfs/dbraw/zinc/42/68/24/947426824.db2.gz IRXUXRPVDVCNGX-OAHLLOKOSA-N 1 0 385.472 1.114 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573596970 947433986 /nfs/dbraw/zinc/43/39/86/947433986.db2.gz MFZXYWARSQEMLR-YOEHRIQHSA-N 1 0 380.456 1.357 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573596967 947434650 /nfs/dbraw/zinc/43/46/50/947434650.db2.gz MFZXYWARSQEMLR-RHSMWYFYSA-N 1 0 380.456 1.357 20 0 GDADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826134150 947446257 /nfs/dbraw/zinc/44/62/57/947446257.db2.gz STSVGIUIJONLMF-DNVCBOLYSA-N 1 0 386.456 1.194 20 0 GDADRO C[C@@H](C(=O)N(C)CCOCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C1CCC1 ZINC001573605757 947534616 /nfs/dbraw/zinc/53/46/16/947534616.db2.gz ZISRGKXOMSMOML-CQSZACIVSA-N 1 0 387.488 1.609 20 0 GDADRO C[C@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1ccco1 ZINC001573615392 947604767 /nfs/dbraw/zinc/60/47/67/947604767.db2.gz DTGWKVCJQSRQJX-ZDUSSCGKSA-N 1 0 381.440 1.731 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573616106 947617903 /nfs/dbraw/zinc/61/79/03/947617903.db2.gz LNIMNVCSLUTUCQ-UONOGXRCSA-N 1 0 381.440 1.731 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573618419 947649755 /nfs/dbraw/zinc/64/97/55/947649755.db2.gz SAABLXFCQHBJIF-KGLIPLIRSA-N 1 0 381.444 1.004 20 0 GDADRO C/C(=C\C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001573357920 947654076 /nfs/dbraw/zinc/65/40/76/947654076.db2.gz CNSBLTQIGPVJPS-IDKBZEPQSA-N 1 0 384.484 1.474 20 0 GDADRO CS[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1[NH+](C)C ZINC000826227188 947667693 /nfs/dbraw/zinc/66/76/93/947667693.db2.gz NJYVZUNDJSAHST-GXTWGEPZSA-N 1 0 384.456 1.946 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)n1cccn1 ZINC001573623375 947684856 /nfs/dbraw/zinc/68/48/56/947684856.db2.gz DWBMHHZFOAMPLO-IUODEOHRSA-N 1 0 384.419 1.154 20 0 GDADRO Cc1cc(NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000826269126 947777865 /nfs/dbraw/zinc/77/78/65/947777865.db2.gz AWXCXOFZUPHAQQ-QGZVFWFLSA-N 1 0 396.455 1.310 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573374572 947809152 /nfs/dbraw/zinc/80/91/52/947809152.db2.gz NZHWPHYZNJMTQK-LJQANCHMSA-N 1 0 383.456 1.450 20 0 GDADRO CC(=O)CCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573377096 947845676 /nfs/dbraw/zinc/84/56/76/947845676.db2.gz HZTXSBQRPBWBQP-QWHCGFSZSA-N 1 0 376.436 1.748 20 0 GDADRO C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573640429 947850037 /nfs/dbraw/zinc/85/00/37/947850037.db2.gz HKHUTBFWCSADFX-BLLLJJGKSA-N 1 0 388.447 1.369 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573382141 947883384 /nfs/dbraw/zinc/88/33/84/947883384.db2.gz FEYLEIGKUQOOIP-SHTZXODSSA-N 1 0 388.447 1.750 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573383913 947899809 /nfs/dbraw/zinc/89/98/09/947899809.db2.gz ZTWXGOLLZWOZCM-HNNXBMFYSA-N 1 0 388.447 1.703 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)c1ccco1 ZINC001573648299 947906408 /nfs/dbraw/zinc/90/64/08/947906408.db2.gz YJZIDQWPTMFCDA-MGPQQGTHSA-N 1 0 381.440 1.587 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1)n1cccn1 ZINC001573653451 947957008 /nfs/dbraw/zinc/95/70/08/947957008.db2.gz LULQMYDWMAJLBM-GUYCJALGSA-N 1 0 380.456 1.309 20 0 GDADRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826329348 947958414 /nfs/dbraw/zinc/95/84/14/947958414.db2.gz ZHFZGHZAZOGOJG-INIZCTEOSA-N 1 0 390.455 1.272 20 0 GDADRO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573657147 947998135 /nfs/dbraw/zinc/99/81/35/947998135.db2.gz LEUKAXXPZYGUSP-LIRRHRJNSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573657808 948002618 /nfs/dbraw/zinc/00/26/18/948002618.db2.gz OVGSWESEUSHUSP-AWEZNQCLSA-N 1 0 380.456 1.800 20 0 GDADRO Cc1onc(CC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826346618 948043248 /nfs/dbraw/zinc/04/32/48/948043248.db2.gz QRFMTADUWLKESW-WFASDCNBSA-N 1 0 381.440 1.657 20 0 GDADRO C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573664076 948045651 /nfs/dbraw/zinc/04/56/51/948045651.db2.gz RUGGVKPQCBYTDB-HIFPTAJRSA-N 1 0 386.485 1.370 20 0 GDADRO C[C@@H](C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573666598 948087600 /nfs/dbraw/zinc/08/76/00/948087600.db2.gz UKMJQRCJSCSGPL-WHXUTIOJSA-N 1 0 383.378 1.721 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573666705 948088635 /nfs/dbraw/zinc/08/86/35/948088635.db2.gz VMASKFPRCBDIJR-ZIAGYGMSSA-N 1 0 381.444 1.195 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccn1 ZINC001573679032 948158255 /nfs/dbraw/zinc/15/82/55/948158255.db2.gz HQCDSPNKJOCHPS-SMDDNHRTSA-N 1 0 386.485 1.370 20 0 GDADRO C[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccn1 ZINC001573680669 948185299 /nfs/dbraw/zinc/18/52/99/948185299.db2.gz PLSDZQJVIDSSCC-GUYCJALGSA-N 1 0 380.456 1.309 20 0 GDADRO [NH2+]=C(NOCCOc1ccccc1-c1nn[nH]n1)[C@H]1COc2ccccc2O1 ZINC000826388333 948194024 /nfs/dbraw/zinc/19/40/24/948194024.db2.gz SCSYUHNEIOGVJK-MRXNPFEDSA-N 1 0 382.380 1.584 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573692224 948259550 /nfs/dbraw/zinc/25/95/50/948259550.db2.gz NCOGECLUIKWJOY-RISCZKNCSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CC1 ZINC001573693544 948282209 /nfs/dbraw/zinc/28/22/09/948282209.db2.gz ACCCDGXOIPBZLQ-GNCDUGFZSA-N 1 0 384.459 1.846 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573693819 948290489 /nfs/dbraw/zinc/29/04/89/948290489.db2.gz ZQNCRDQEHUKCMV-WBMJQRKESA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001573695563 948306434 /nfs/dbraw/zinc/30/64/34/948306434.db2.gz HGSGXLQAIOALHZ-JLTOFOAXSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573696431 948325601 /nfs/dbraw/zinc/32/56/01/948325601.db2.gz QAIYXOUZRVDBAI-HXPMCKFVSA-N 1 0 388.447 1.105 20 0 GDADRO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC1 ZINC001573696521 948328644 /nfs/dbraw/zinc/32/86/44/948328644.db2.gz RRZMWLXXZAHZGB-XOBRGWDASA-N 1 0 384.484 1.356 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476633 948383581 /nfs/dbraw/zinc/38/35/81/948383581.db2.gz LODHCLNMDLDCKK-RDJZCZTQSA-N 1 0 392.467 1.965 20 0 GDADRO O=C1[C@H](N2CC[NH+](CC3CC3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476925 948385796 /nfs/dbraw/zinc/38/57/96/948385796.db2.gz SAEVQDCTDYWKCL-GOSISDBHSA-N 1 0 381.484 1.390 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCCO1)C1CC1 ZINC001573705939 948410173 /nfs/dbraw/zinc/41/01/73/948410173.db2.gz HNVPFMDMNSMWRT-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO O[C@@H](C[NH+]1CCN(c2nc3ccccn3c2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000826502334 948419699 /nfs/dbraw/zinc/41/96/99/948419699.db2.gz BBKPOCWXEASXDR-INIZCTEOSA-N 1 0 390.451 1.370 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573707498 948433964 /nfs/dbraw/zinc/43/39/64/948433964.db2.gz POEJMUDPJPZVGK-KBPBESRZSA-N 1 0 385.497 1.929 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+]CCCO[C@@H]2CCOC2)CC1 ZINC000826514104 948438752 /nfs/dbraw/zinc/43/87/52/948438752.db2.gz HNZQLTCBIVPDJB-LJQANCHMSA-N 1 0 386.500 1.616 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573708571 948453443 /nfs/dbraw/zinc/45/34/43/948453443.db2.gz VUMFPHUYPSCVGD-UONOGXRCSA-N 1 0 378.440 1.403 20 0 GDADRO c1ccn2c(c1)nc(N1CCC(OCC[NH+]3CCCC3)CC1)c2-c1nn[nH]n1 ZINC000826524324 948460927 /nfs/dbraw/zinc/46/09/27/948460927.db2.gz QTYIWRZQUAODIU-UHFFFAOYSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](Cc1ccccc1-c1nn[nH]n1)C1CC1)n1cccn1 ZINC001573720206 948531762 /nfs/dbraw/zinc/53/17/62/948531762.db2.gz PXRDGTPAZXIBQU-AWEZNQCLSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573728833 948564306 /nfs/dbraw/zinc/56/43/06/948564306.db2.gz RCGQYUTZDVCPPT-QILLFSRXSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@@H]1CCCO1 ZINC001573746447 948682508 /nfs/dbraw/zinc/68/25/08/948682508.db2.gz JZWUXWQSKCNGRV-RMIITELYSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@@H]1CCCO1 ZINC001573751554 948703830 /nfs/dbraw/zinc/70/38/30/948703830.db2.gz BKDNKBDZIHMELL-CYHLAULCSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](CNC(=O)CCc1cccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574914314 948748328 /nfs/dbraw/zinc/74/83/28/948748328.db2.gz IGAPOFCFIDIQMY-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccc(F)cc1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574915352 948765849 /nfs/dbraw/zinc/76/58/49/948765849.db2.gz RVSVPIKNSDNDLJ-CYBMUJFWSA-N 1 0 383.431 1.620 20 0 GDADRO CC(F)(F)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575223510 948766629 /nfs/dbraw/zinc/76/66/29/948766629.db2.gz CDWSSQSTUXFZNJ-ZDUSSCGKSA-N 1 0 380.399 1.229 20 0 GDADRO CC(F)(F)CC(=O)N[C@@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001575223447 948767961 /nfs/dbraw/zinc/76/79/61/948767961.db2.gz BKXJIUZKMGAOGQ-CYBMUJFWSA-N 1 0 377.399 1.782 20 0 GDADRO CC(C)[C@H](F)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574079667 948773567 /nfs/dbraw/zinc/77/35/67/948773567.db2.gz DOFPKSFNAMQUET-ZENOOKHLSA-N 1 0 378.427 1.984 20 0 GDADRO CC(C)[C@H](F)C(=O)NCC[NH+]1CCC(Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001574079670 948774773 /nfs/dbraw/zinc/77/47/73/948774773.db2.gz DTIOGVVHVQYXQK-HNNXBMFYSA-N 1 0 390.467 1.248 20 0 GDADRO CC(C)[C@H](C(=O)N[C@H](C)CCNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCC1 ZINC001574679494 948785583 /nfs/dbraw/zinc/78/55/83/948785583.db2.gz WGKRNJNUSNFUKF-CZUORRHYSA-N 1 0 387.492 1.084 20 0 GDADRO CC(C)c1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574419975 948792026 /nfs/dbraw/zinc/79/20/26/948792026.db2.gz MUGUYIONBLXFJS-CYBMUJFWSA-N 1 0 382.472 1.964 20 0 GDADRO CC(C)c1ccoc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574421039 948810679 /nfs/dbraw/zinc/81/06/79/948810679.db2.gz DUTGMXPKEVMNGV-HNNXBMFYSA-N 1 0 384.440 1.464 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574917801 948828308 /nfs/dbraw/zinc/82/83/08/948828308.db2.gz BURWGHKGBAQSCZ-ZDUSSCGKSA-N 1 0 375.452 1.798 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)CC1 ZINC001575227382 948829922 /nfs/dbraw/zinc/82/99/22/948829922.db2.gz VNWZAAANVBPKHP-FICVDOATSA-N 1 0 388.422 1.849 20 0 GDADRO C[C@@H](CNC(=O)CCCn1ccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574918246 948840099 /nfs/dbraw/zinc/84/00/99/948840099.db2.gz HRQVYIJVGKBLIV-ZDUSSCGKSA-N 1 0 388.501 1.542 20 0 GDADRO C[C@H](CNC(=O)CCCn1ccnc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574918829 948859173 /nfs/dbraw/zinc/85/91/73/948859173.db2.gz RGTSBZJYHNNMEE-CYBMUJFWSA-N 1 0 386.435 1.277 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920004 948883842 /nfs/dbraw/zinc/88/38/42/948883842.db2.gz ABTGFHARMNNBBM-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO C[C@@H](CNC(=O)CCc1ncccn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920278 948896514 /nfs/dbraw/zinc/89/65/14/948896514.db2.gz HMXHBDGMNBGHLA-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920937 948913909 /nfs/dbraw/zinc/91/39/09/948913909.db2.gz RMAFAGWZKHKZNE-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574685739 948917645 /nfs/dbraw/zinc/91/76/45/948917645.db2.gz ANLQBEQMRFXWAM-NQBHXWOUSA-N 1 0 376.440 1.048 20 0 GDADRO C[C@H](CNC(=O)CCc1cncn1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921454 948924873 /nfs/dbraw/zinc/92/48/73/948924873.db2.gz 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ZINC001574111134 949373717 /nfs/dbraw/zinc/37/37/17/949373717.db2.gz DZEQCZMJRJPXMN-UHFFFAOYSA-N 1 0 378.502 1.417 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C2CC2)n1 ZINC001574460699 949378139 /nfs/dbraw/zinc/37/81/39/949378139.db2.gz XZTHUWXHOVGXCW-MRXNPFEDSA-N 1 0 383.460 1.270 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575263350 949392364 /nfs/dbraw/zinc/39/23/64/949392364.db2.gz GHCCZYMGEWJDLU-NWDGAFQWSA-N 1 0 376.486 1.291 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263780 949407637 /nfs/dbraw/zinc/40/76/37/949407637.db2.gz JKJCGRBFSOILCC-YVEFUNNKSA-N 1 0 387.463 1.037 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574705633 949436460 /nfs/dbraw/zinc/43/64/60/949436460.db2.gz JLEZUSPVHHUHHO-BDAKNGLRSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575535166 949441109 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382.472 1.896 20 0 GDADRO C[C@H](NC(=O)C[C@H]1CCCOC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575267240 949500248 /nfs/dbraw/zinc/50/02/48/949500248.db2.gz HPMWHXLZHJZDMQ-LSDHHAIUSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CNC(=O)Cn1ccc2ccccc21)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574949579 949501548 /nfs/dbraw/zinc/50/15/48/949501548.db2.gz YBHMSLBDEZISIT-CQSZACIVSA-N 1 0 390.451 1.858 20 0 GDADRO C[C@H](NC(=O)C[C@H]1CCCO1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575269296 949545696 /nfs/dbraw/zinc/54/56/96/949545696.db2.gz SUYXLXMLGRVLOZ-BLLLJJGKSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H](NC(=O)CC[C@H]1CCOC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575270049 949572192 /nfs/dbraw/zinc/57/21/92/949572192.db2.gz AKRPXFFGEXTUJD-CABCVRRESA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@]1(F)CCOC1 ZINC001573810821 949579286 /nfs/dbraw/zinc/57/92/86/949579286.db2.gz DKVFZAJLDIGGGX-KXBFYZLASA-N 1 0 390.463 1.616 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001574956575 949583206 /nfs/dbraw/zinc/58/32/06/949583206.db2.gz KWPIBMITINNATD-YNEHKIRRSA-N 1 0 375.452 1.287 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573811002 949586983 /nfs/dbraw/zinc/58/69/83/949586983.db2.gz GLBPPTARXPKADW-MIUNTBIASA-N 1 0 390.513 1.585 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CC1(O)CCC1 ZINC001573811079 949590843 /nfs/dbraw/zinc/59/08/43/949590843.db2.gz HLMNNQAINKCROQ-MRXNPFEDSA-N 1 0 386.500 1.792 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]C[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573811167 949591448 /nfs/dbraw/zinc/59/14/48/949591448.db2.gz IJUNAERXPATOJH-IUODEOHRSA-N 1 0 375.477 1.356 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573811168 949591911 /nfs/dbraw/zinc/59/19/11/949591911.db2.gz IJUNAERXPATOJH-SWLSCSKDSA-N 1 0 375.477 1.356 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnon1 ZINC001573811298 949594757 /nfs/dbraw/zinc/59/47/57/949594757.db2.gz JNTMZQKUQVZNHX-GFCCVEGCSA-N 1 0 376.446 1.246 20 0 GDADRO CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574126036 949601537 /nfs/dbraw/zinc/60/15/37/949601537.db2.gz XCKMGTOYNSMHKK-AWEZNQCLSA-N 1 0 389.504 1.590 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573811700 949603263 /nfs/dbraw/zinc/60/32/63/949603263.db2.gz MVPQQTKDEVVISP-FTRWYGJKSA-N 1 0 384.484 1.524 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CC1(O)CCC1 ZINC001573811588 949604505 /nfs/dbraw/zinc/60/45/05/949604505.db2.gz MCTSJJONXMMVIX-AWEZNQCLSA-N 1 0 392.529 1.854 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCOC1 ZINC001573811595 949605624 /nfs/dbraw/zinc/60/56/24/949605624.db2.gz MHFZHCNNOOVTKH-FZMZJTMJSA-N 1 0 378.502 1.585 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575546617 949612751 /nfs/dbraw/zinc/61/27/51/949612751.db2.gz RGXPEYBYMYBCRR-YLJYHZDGSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnon1 ZINC001573812417 949616960 /nfs/dbraw/zinc/61/69/60/949616960.db2.gz RQFKYETVTQJMQU-AWEZNQCLSA-N 1 0 388.407 1.323 20 0 GDADRO C[C@@]1(C(=O)N2CCCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CCCOC1 ZINC001575547495 949626310 /nfs/dbraw/zinc/62/63/10/949626310.db2.gz XMSKPGARGBLWPR-IFXJQAMLSA-N 1 0 385.472 1.293 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cncc(F)c1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573813220 949629932 /nfs/dbraw/zinc/62/99/32/949629932.db2.gz XFAKCUDETALRBF-HNNXBMFYSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccn[nH]1 ZINC001573813258 949630974 /nfs/dbraw/zinc/63/09/74/949630974.db2.gz XMJCILHYWZMCGF-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573813522 949633707 /nfs/dbraw/zinc/63/37/07/949633707.db2.gz ZQDRKSCGEHCIFN-WFASDCNBSA-N 1 0 375.477 1.498 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574715034 949639299 /nfs/dbraw/zinc/63/92/99/949639299.db2.gz ADNALBCAXAFKHH-CHWSQXEVSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001574477287 949647914 /nfs/dbraw/zinc/64/79/14/949647914.db2.gz PUBHPGDKAWWBDY-OAHLLOKOSA-N 1 0 382.472 1.605 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C[NH2+]Cc1nccs1 ZINC001576169007 949657339 /nfs/dbraw/zinc/65/73/39/949657339.db2.gz DKYRSVSRWODQHM-RISCZKNCSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)CCCC(N)=O)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575877775 949673219 /nfs/dbraw/zinc/67/32/19/949673219.db2.gz MYAUFELJQZOJDB-YPMHNXCESA-N 1 0 391.501 1.053 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574958531 949676702 /nfs/dbraw/zinc/67/67/02/949676702.db2.gz SDUIZNHWIIBHKQ-PSJSRTJLSA-N 1 0 384.459 1.892 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716098 949679721 /nfs/dbraw/zinc/67/97/21/949679721.db2.gz MJWDQROSJHBDGN-BLVKFPJESA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574716135 949683366 /nfs/dbraw/zinc/68/33/66/949683366.db2.gz MYXUFKMWQDYARU-BUXKBTBVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575880917 949709733 /nfs/dbraw/zinc/70/97/33/949709733.db2.gz VVTQOVQKDXYOFC-WFASDCNBSA-N 1 0 385.497 1.968 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574960396 949724668 /nfs/dbraw/zinc/72/46/68/949724668.db2.gz WSVJEZBEZUKADW-DAXOMENPSA-N 1 0 380.456 1.330 20 0 GDADRO C[C@H](CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001574479348 949732249 /nfs/dbraw/zinc/73/22/49/949732249.db2.gz DUYXSPZTJMOXQD-SNVBAGLBSA-N 1 0 383.378 1.675 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC[N@@H+]1CCc1ccns1 ZINC001575881915 949743353 /nfs/dbraw/zinc/74/33/53/949743353.db2.gz DBPPZUPUMWWBRX-SMDDNHRTSA-N 1 0 386.485 1.477 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001574963357 949748521 /nfs/dbraw/zinc/74/85/21/949748521.db2.gz ISLZSNTWTBUQRB-IHRRRGAJSA-N 1 0 389.479 1.677 20 0 GDADRO C[C@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CCCOC1 ZINC001575559193 949752114 /nfs/dbraw/zinc/75/21/14/949752114.db2.gz VCKURGICFCWLEM-PXNSSMCTSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](NC(=O)CCc1ccccn1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575279526 949783738 /nfs/dbraw/zinc/78/37/38/949783738.db2.gz YNFGKUAANMABPB-OAHLLOKOSA-N 1 0 391.479 1.831 20 0 GDADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574139199 949808969 /nfs/dbraw/zinc/80/89/69/949808969.db2.gz IUDRCQQUMYLRJM-LIRRHRJNSA-N 1 0 389.504 1.434 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575281745 949819285 /nfs/dbraw/zinc/81/92/85/949819285.db2.gz AOWPSWZGRTUMNP-IUCAKERBSA-N 1 0 386.913 1.622 20 0 GDADRO C[C@H](CNC(=O)c1c(F)cccc1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574965850 949823964 /nfs/dbraw/zinc/82/39/64/949823964.db2.gz NLAMDFMVNULVSJ-SECBINFHSA-N 1 0 375.795 1.707 20 0 GDADRO C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574965882 949824224 /nfs/dbraw/zinc/82/42/24/949824224.db2.gz NZDMAHBEVUKZCE-NQYLQCIDSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)(C)[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CCCC1 ZINC001573823868 949842757 /nfs/dbraw/zinc/84/27/57/949842757.db2.gz ZWSFWUSJEXFGQW-CQSZACIVSA-N 1 0 390.467 1.439 20 0 GDADRO CC(C)(C)C1CC(C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573824423 949853286 /nfs/dbraw/zinc/85/32/86/949853286.db2.gz FZJXDYOBZULXCG-OFLPRAFFSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1nccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574724289 949864523 /nfs/dbraw/zinc/86/45/23/949864523.db2.gz GNJMSANZJWCLJZ-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574484141 949867796 /nfs/dbraw/zinc/86/77/96/949867796.db2.gz WLJUKEKWDXYMCV-GDBMZVCRSA-N 1 0 380.456 1.405 20 0 GDADRO CC(C)C[C@@H](C)C[NH2+]CC1(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCOCC1 ZINC001574142804 949878332 /nfs/dbraw/zinc/87/83/32/949878332.db2.gz CMDDHBVXBNAXFW-CQSZACIVSA-N 1 0 389.504 1.746 20 0 GDADRO C[C@@H]1CCN(C(=O)C(F)F)C[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576178214 949880781 /nfs/dbraw/zinc/88/07/81/949880781.db2.gz GLXOSJZSRHXFMG-MFKMUULPSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@@H]1CCN(C(=O)C(F)F)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576178707 949897727 /nfs/dbraw/zinc/89/77/27/949897727.db2.gz IIXVFCAEHJEQLP-ZYHUDNBSSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576179293 949911037 /nfs/dbraw/zinc/91/10/37/949911037.db2.gz FCZRGWMBPNYRCE-CXAGYDPISA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575284861 949922854 /nfs/dbraw/zinc/92/28/54/949922854.db2.gz WYVBBRMPASIGIR-WDEREUQCSA-N 1 0 382.428 1.097 20 0 GDADRO C[C@@H](CN(C)C(=O)CCn1ccnc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574726353 949934193 /nfs/dbraw/zinc/93/41/93/949934193.db2.gz ZTKFPLMUKUTXMZ-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO CC1(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)CCCC1 ZINC001575571213 949952156 /nfs/dbraw/zinc/95/21/56/949952156.db2.gz YTNAAIJBKVSYSA-SJORKVTESA-N 1 0 384.484 1.498 20 0 GDADRO CC1(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)CCCC1 ZINC001575571212 949952205 /nfs/dbraw/zinc/95/22/05/949952205.db2.gz YTNAAIJBKVSYSA-IRXDYDNUSA-N 1 0 384.484 1.498 20 0 GDADRO C[C@@H](CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574489287 949958307 /nfs/dbraw/zinc/95/83/07/949958307.db2.gz IAWRMAQFEFSEMF-ZANVPECISA-N 1 0 383.378 1.579 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576180606 949965298 /nfs/dbraw/zinc/96/52/98/949965298.db2.gz PGJKBLJCLOYMEO-IUODEOHRSA-N 1 0 381.444 1.015 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC001575891022 949979735 /nfs/dbraw/zinc/97/97/35/949979735.db2.gz CSPXERIMANFPJP-ZYHUDNBSSA-N 1 0 379.415 1.823 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574728622 949997146 /nfs/dbraw/zinc/99/71/46/949997146.db2.gz FNZBEMVHSQHSLS-NSHDSACASA-N 1 0 387.394 1.463 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCCOC1 ZINC001574150308 950024247 /nfs/dbraw/zinc/02/42/47/950024247.db2.gz BERLSXTXJMKTKW-ZIAGYGMSSA-N 1 0 392.529 1.975 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCCOC1 ZINC001574150305 950027937 /nfs/dbraw/zinc/02/79/37/950027937.db2.gz BERLSXTXJMKTKW-KBPBESRZSA-N 1 0 392.529 1.975 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576182382 950049517 /nfs/dbraw/zinc/04/95/17/950049517.db2.gz OHCOSFZFAZOVPE-DYVFJYSZSA-N 1 0 378.440 1.431 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CCOc1ccc(F)cc1 ZINC001574975955 950054679 /nfs/dbraw/zinc/05/46/79/950054679.db2.gz KZYXFTMDHHXMGW-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnns1 ZINC001574151068 950055520 /nfs/dbraw/zinc/05/55/20/950055520.db2.gz KMLVAWYKUGCYEY-JTQLQIEISA-N 1 0 392.514 1.714 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1C[NH2+]Cc1cnns1 ZINC001576182830 950064985 /nfs/dbraw/zinc/06/49/85/950064985.db2.gz POZATLBZAFDQLW-IINYFYTJSA-N 1 0 387.473 1.077 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@]1(F)CCOC1 ZINC001574151334 950070436 /nfs/dbraw/zinc/07/04/36/950070436.db2.gz PJUDVAUMZRAZNR-APWZRJJASA-N 1 0 390.463 1.616 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCCO1 ZINC001574151373 950074577 /nfs/dbraw/zinc/07/45/77/950074577.db2.gz PZCLJQHEUHEBEA-YOEHRIQHSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1C[NH2+]CC1CCOCC1 ZINC001576183386 950088153 /nfs/dbraw/zinc/08/81/53/950088153.db2.gz QZMQLHUAGGEGQZ-SUMWQHHRSA-N 1 0 387.488 1.452 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CC(C)(C)O ZINC001574151655 950089172 /nfs/dbraw/zinc/08/91/72/950089172.db2.gz XGSHXSBZPVPDFM-OAHLLOKOSA-N 1 0 392.479 1.787 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=COCCO1 ZINC001574151648 950090716 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ZINC001575903175 950272010 /nfs/dbraw/zinc/27/20/10/950272010.db2.gz YUINDSNGBMSYLY-SWLSCSKDSA-N 1 0 383.431 1.769 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccns1 ZINC001575903307 950278173 /nfs/dbraw/zinc/27/81/73/950278173.db2.gz ZRDASXORUKFZLG-HZMBPMFUSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H](CC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001574498710 950283663 /nfs/dbraw/zinc/28/36/63/950283663.db2.gz PUTVKCLDRHCPTL-RHSMWYFYSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCn1ccnc1 ZINC001575904686 950283691 /nfs/dbraw/zinc/28/36/91/950283691.db2.gz AHFRRWQMILMRGP-YOEHRIQHSA-N 1 0 380.456 1.233 20 0 GDADRO C[C@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)C1CC1 ZINC001574498687 950284542 /nfs/dbraw/zinc/28/45/42/950284542.db2.gz PRHPCUXNECEONK-CYBMUJFWSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cncnc1 ZINC001575905044 950286463 /nfs/dbraw/zinc/28/64/63/950286463.db2.gz BCTONKFNXQZOTK-MEDUHNTESA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccnn1C ZINC001575906067 950308525 /nfs/dbraw/zinc/30/85/25/950308525.db2.gz GNKGYFVLQOWTHG-NHYWBVRUSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1ccoc1 ZINC001575906602 950318470 /nfs/dbraw/zinc/31/84/70/950318470.db2.gz JPDNPYAMUCGLLQ-YVEFUNNKSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccn1 ZINC001575906950 950320906 /nfs/dbraw/zinc/32/09/06/950320906.db2.gz LBEBJGHPUYLYFP-XHDPSFHLSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C2CC2)C1 ZINC001576193939 950324083 /nfs/dbraw/zinc/32/40/83/950324083.db2.gz WOXTVRMCDAOOAC-GUYCJALGSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cnn(C)c1 ZINC001575907214 950328950 /nfs/dbraw/zinc/32/89/50/950328950.db2.gz MWIJLQMZPDIIJU-MEDUHNTESA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1cnc[nH]1 ZINC001575907357 950330138 /nfs/dbraw/zinc/33/01/38/950330138.db2.gz NOFLZCPXVIVJFZ-BZNIZROVSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cccnc1 ZINC001575907229 950331589 /nfs/dbraw/zinc/33/15/89/950331589.db2.gz NCMCZJKOWVLWMW-SJCJKPOMSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@]1(C(=O)NCCCCCCNc2cc[nH+]cc2-c2nn[nH]n2)CCCOC1 ZINC001575594417 950335217 /nfs/dbraw/zinc/33/52/17/950335217.db2.gz SSFMRNFJOPFOBL-IBGZPJMESA-N 1 0 387.488 1.589 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cnsn1 ZINC001575907541 950336008 /nfs/dbraw/zinc/33/60/08/950336008.db2.gz OVDZGIMRMPHDPL-RNCFNFMXSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccns1 ZINC001575907754 950341755 /nfs/dbraw/zinc/34/17/55/950341755.db2.gz QCUTYXLGWQKGNE-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575908237 950355347 /nfs/dbraw/zinc/35/53/47/950355347.db2.gz SWOZAZYJSPUAHJ-DYVFJYSZSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H](O)c1ccccc1F ZINC001574744768 950364031 /nfs/dbraw/zinc/36/40/31/950364031.db2.gz AUZAEZUKLDYWNN-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CCCO2)CCC1 ZINC001575597062 950395960 /nfs/dbraw/zinc/39/59/60/950395960.db2.gz XIEWSEYHBQPNER-ZDUSSCGKSA-N 1 0 390.513 1.826 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(F)cc1F ZINC001574747743 950414194 /nfs/dbraw/zinc/41/41/94/950414194.db2.gz WQRKRYJCRINHKL-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575910067 950414406 /nfs/dbraw/zinc/41/44/06/950414406.db2.gz JIWASKUFHNMOOG-DOMZBBRYSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H]1[C@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576199214 950418837 /nfs/dbraw/zinc/41/88/37/950418837.db2.gz XLHHXSFBHSUVTN-GOEBONIOSA-N 1 0 384.488 1.395 20 0 GDADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001573861028 950436160 /nfs/dbraw/zinc/43/61/60/950436160.db2.gz PPGQSOBGLYVXMV-UHFFFAOYSA-N 1 0 389.464 1.058 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC2CCC(Nc3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001576203263 950439127 /nfs/dbraw/zinc/43/91/27/950439127.db2.gz FWTXDWXHPKESCB-WLYUNCDWSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[C@H](C)n1ccnc1 ZINC001574506793 950442601 /nfs/dbraw/zinc/44/26/01/950442601.db2.gz FWHMKHLLWATDMI-STQMWFEESA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576204842 950478881 /nfs/dbraw/zinc/47/88/81/950478881.db2.gz CXZYAFFZFPZBOJ-BBRMVZONSA-N 1 0 387.463 1.038 20 0 GDADRO CC1(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC(F)(F)C1 ZINC001575605762 950480273 /nfs/dbraw/zinc/48/02/73/950480273.db2.gz SLPAZXDLQKTTOY-AWEZNQCLSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2F)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575913760 950481890 /nfs/dbraw/zinc/48/18/90/950481890.db2.gz TTWUZICZPJNCLE-MFKMUULPSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc[nH]c(=O)c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574752390 950484027 /nfs/dbraw/zinc/48/40/27/950484027.db2.gz WIGFGIHBPTXOBD-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573866377 950497631 /nfs/dbraw/zinc/49/76/31/950497631.db2.gz ACFGYMPMMYEKBQ-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)(C)OCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2 ZINC001573866543 950504185 /nfs/dbraw/zinc/50/41/85/950504185.db2.gz GZFNRSGWROTFMX-UHFFFAOYSA-N 1 0 390.513 1.778 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575915849 950526410 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C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccccc1 ZINC001575926753 950722627 /nfs/dbraw/zinc/72/26/27/950722627.db2.gz LKFSUIRNVZKXPH-WMLDXEAASA-N 1 0 377.452 1.718 20 0 GDADRO CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)[nH]n1 ZINC001573880087 950739858 /nfs/dbraw/zinc/73/98/58/950739858.db2.gz RXFHMRIRZGUDTB-LLVKDONJSA-N 1 0 381.444 1.031 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576216679 950740884 /nfs/dbraw/zinc/74/08/84/950740884.db2.gz FEXSYVQRDJFDHD-VXGBXAGGSA-N 1 0 391.426 1.625 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001576217011 950749252 /nfs/dbraw/zinc/74/92/52/950749252.db2.gz FYNWKZZHZUBVCQ-DZGCQCFKSA-N 1 0 384.488 1.395 20 0 GDADRO CC1(C)CC(C(=O)NC2(CO)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001575630232 950758062 /nfs/dbraw/zinc/75/80/62/950758062.db2.gz ZCYJQLLVNUUEIV-UHFFFAOYSA-N 1 0 385.472 1.145 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574521011 950765267 /nfs/dbraw/zinc/76/52/67/950765267.db2.gz CGQVWQBXVHVDMC-ZWHRIJBZSA-N 1 0 376.486 1.194 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575928036 950768687 /nfs/dbraw/zinc/76/86/87/950768687.db2.gz XUKPFEIASBLHBA-WBMJQRKESA-N 1 0 391.435 1.334 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576217711 950768796 /nfs/dbraw/zinc/76/87/96/950768796.db2.gz ITMXWWHBKVGKKN-GWCFXTLKSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574765092 950774942 /nfs/dbraw/zinc/77/49/42/950774942.db2.gz DPTAUFNAFZGDFT-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CC(C)(C)O ZINC001574522203 950791587 /nfs/dbraw/zinc/79/15/87/950791587.db2.gz JJOZWXWOBPCDGK-VXGBXAGGSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CC(C)(C)O ZINC001574522202 950794115 /nfs/dbraw/zinc/79/41/15/950794115.db2.gz JJOZWXWOBPCDGK-RYUDHWBXSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1cn[nH]n1 ZINC001574522816 950798685 /nfs/dbraw/zinc/79/86/85/950798685.db2.gz LDBBNVAUORAAAW-GHMZBOCLSA-N 1 0 389.489 1.052 20 0 GDADRO C[C@H](C[N@H+](C)C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574765956 950803250 /nfs/dbraw/zinc/80/32/50/950803250.db2.gz GWIDHLGTQCBRRN-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CC1(O)CCC1 ZINC001574523439 950814247 /nfs/dbraw/zinc/81/42/47/950814247.db2.gz NRNIRPYGUOGUKY-NWDGAFQWSA-N 1 0 378.502 1.606 20 0 GDADRO C[C@@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575933402 950841008 /nfs/dbraw/zinc/84/10/08/950841008.db2.gz ORHNTJBRQPIGJW-ABAIWWIYSA-N 1 0 388.451 1.144 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cc[nH]n1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574523952 950841128 /nfs/dbraw/zinc/84/11/28/950841128.db2.gz SLYUDALEOXUTQM-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO CC1(C)CC(C[NH2+][C@@]2(CO)CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575639053 950856349 /nfs/dbraw/zinc/85/63/49/950856349.db2.gz ODHRXUMYOGSPIS-IBGZPJMESA-N 1 0 387.488 1.188 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1ccon1 ZINC001574524694 950868094 /nfs/dbraw/zinc/86/80/94/950868094.db2.gz YOJLWIGFUAYGLP-RYUDHWBXSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)C[NH+]1CCCC1 ZINC001575935045 950870510 /nfs/dbraw/zinc/87/05/10/950870510.db2.gz URAUUDSNCWDYGU-RISCZKNCSA-N 1 0 390.879 1.412 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@H](O)C1CCCCC1 ZINC001575012002 950871681 /nfs/dbraw/zinc/87/16/81/950871681.db2.gz VPWRISWIFMQOOV-WBMJQRKESA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncccc1O)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574768597 950894735 /nfs/dbraw/zinc/89/47/35/950894735.db2.gz ZSPRMYFVJRHOBC-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnsn1 ZINC001574527784 950906831 /nfs/dbraw/zinc/90/68/31/950906831.db2.gz HCCSUZICZOJIDI-NXEZZACHSA-N 1 0 390.448 1.544 20 0 GDADRO CC(C)(C)n1cc(C[NH2+][C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 ZINC001573893914 950913233 /nfs/dbraw/zinc/91/32/33/950913233.db2.gz BYOXWAYEDQXRHH-ZDUSSCGKSA-N 1 0 383.460 1.151 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cncnc1 ZINC001574528095 950921740 /nfs/dbraw/zinc/92/17/40/950921740.db2.gz KYNXFFAZAQMIGK-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001574771643 950931078 /nfs/dbraw/zinc/93/10/78/950931078.db2.gz IHZBPHZFBQDBOV-ZDUSSCGKSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1CCC(O)CC1 ZINC001574771833 950941233 /nfs/dbraw/zinc/94/12/33/950941233.db2.gz LBRGHGBQIUYCBO-FUJMWEONSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](C[N@H+](C)CCOc1ccc(F)cc1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574771920 950947094 /nfs/dbraw/zinc/94/70/94/950947094.db2.gz MWXKLSFSAKENJY-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574529839 950960593 /nfs/dbraw/zinc/96/05/93/950960593.db2.gz AOBLEIUAJBZYOV-STQMWFEESA-N 1 0 381.440 1.654 20 0 GDADRO CC(C)(CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001573897797 950965798 /nfs/dbraw/zinc/96/57/98/950965798.db2.gz SPNPQBNUPPRLPU-LBPRGKRZSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001574772409 950967940 /nfs/dbraw/zinc/96/79/40/950967940.db2.gz SMPOIHITXWAJKW-CYBMUJFWSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cccc(Cl)c1F ZINC001575016990 950968341 /nfs/dbraw/zinc/96/83/41/950968341.db2.gz FFAYZDUIXYAPIJ-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnns1 ZINC001574530515 950984607 /nfs/dbraw/zinc/98/46/07/950984607.db2.gz VDSYUCGUSKGDQT-VHSXEESVSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnn(C)c1 ZINC001574530700 950992214 /nfs/dbraw/zinc/99/22/14/950992214.db2.gz VXOAMEJZOUZJCM-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CO1 ZINC001575938909 950995486 /nfs/dbraw/zinc/99/54/86/950995486.db2.gz NSFMNPFFIAKCIE-DZGCQCFKSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccsn1 ZINC001574774016 950995991 /nfs/dbraw/zinc/99/59/91/950995991.db2.gz BCECCYZWIQVCAE-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ncccc1F ZINC001574773996 950996621 /nfs/dbraw/zinc/99/66/21/950996621.db2.gz ATNMOAALVFQKEW-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccnn1C ZINC001574530804 950999856 /nfs/dbraw/zinc/99/98/56/950999856.db2.gz XHQAXULGCSWHOD-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574530836 951002710 /nfs/dbraw/zinc/00/27/10/951002710.db2.gz XUJXRBPVJXEBAQ-QWHCGFSZSA-N 1 0 385.476 1.659 20 0 GDADRO CC(C)n1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001574530947 951007574 /nfs/dbraw/zinc/00/75/74/951007574.db2.gz DXVFIDJRKLDKAM-NWDGAFQWSA-N 1 0 386.464 1.054 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575018150 951016070 /nfs/dbraw/zinc/01/60/70/951016070.db2.gz LNJRQUKIRDQMNN-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H](O)c1ccccc1Cl ZINC001575020240 951055214 /nfs/dbraw/zinc/05/52/14/951055214.db2.gz XMLYUGCKGDIWSS-ZUZCIYMTSA-N 1 0 389.847 1.290 20 0 GDADRO C[C@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575022806 951072458 /nfs/dbraw/zinc/07/24/58/951072458.db2.gz JUNBEIUEVZNZHY-GFCCVEGCSA-N 1 0 378.440 1.789 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024554 951107714 /nfs/dbraw/zinc/10/77/14/951107714.db2.gz HEZPMLHVBVHXRI-ZDUSSCGKSA-N 1 0 378.436 1.710 20 0 GDADRO CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)cc1 ZINC001575025350 951130690 /nfs/dbraw/zinc/13/06/90/951130690.db2.gz YHXVZIIKTZXFCZ-CYBMUJFWSA-N 1 0 381.440 1.701 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1CCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575029747 951189869 /nfs/dbraw/zinc/18/98/69/951189869.db2.gz XEZTVBHSCCIEMD-ZDUSSCGKSA-N 1 0 377.452 1.650 20 0 GDADRO C[C@H](CNC(=O)c1cccnc1C1CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575031782 951203297 /nfs/dbraw/zinc/20/32/97/951203297.db2.gz IPZYHDZCFJUQJT-GFCCVEGCSA-N 1 0 378.440 1.789 20 0 GDADRO CC(C)Oc1ccccc1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575032293 951220294 /nfs/dbraw/zinc/22/02/94/951220294.db2.gz WLVPFDZSMBVCGE-CYBMUJFWSA-N 1 0 381.440 1.701 20 0 GDADRO C[C@@H](CNC(=O)c1cccnc1C(F)F)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575032318 951223800 /nfs/dbraw/zinc/22/38/00/951223800.db2.gz XDVJCFXBLYAMHA-SNVBAGLBSA-N 1 0 388.382 1.494 20 0 GDADRO C[C@H](CNC(=O)c1ccncc1F)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575034420 951247146 /nfs/dbraw/zinc/24/71/46/951247146.db2.gz NAYDNOOLWLDVGH-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575035267 951270415 /nfs/dbraw/zinc/27/04/15/951270415.db2.gz VBYIAFHACMIFAJ-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575035440 951274636 /nfs/dbraw/zinc/27/46/36/951274636.db2.gz IHBOAFCDNWHQFN-ZDUSSCGKSA-N 1 0 380.456 1.236 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575042388 951361495 /nfs/dbraw/zinc/36/14/95/951361495.db2.gz IUKCWYGQANZDRE-LBPRGKRZSA-N 1 0 383.460 1.019 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575043166 951381791 /nfs/dbraw/zinc/38/17/91/951381791.db2.gz GJCGFNIMTDKCOT-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@@H](CNC(=O)c1cn2c(n1)CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575044260 951409921 /nfs/dbraw/zinc/40/99/21/951409921.db2.gz YIGDFNUFHNEZNK-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575053111 951474952 /nfs/dbraw/zinc/47/49/52/951474952.db2.gz QPXRSXCKBNHHNM-LLVKDONJSA-N 1 0 381.444 1.127 20 0 GDADRO C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575070966 951655269 /nfs/dbraw/zinc/65/52/69/951655269.db2.gz WMCPHPKXTXLMEN-JTQLQIEISA-N 1 0 387.473 1.010 20 0 GDADRO C[C@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)c1cnon1)C1CC1 ZINC001575077544 951670919 /nfs/dbraw/zinc/67/09/19/951670919.db2.gz GKNOBULVCSOWKD-QGZVFWFLSA-N 1 0 386.391 1.077 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)c1cnon1)C1CC1 ZINC001575077543 951671062 /nfs/dbraw/zinc/67/10/62/951671062.db2.gz GKNOBULVCSOWKD-KRWDZBQOSA-N 1 0 386.391 1.077 20 0 GDADRO C[C@H](CNC(=O)c1ccccc1O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077817 951674427 /nfs/dbraw/zinc/67/44/27/951674427.db2.gz HYDXBTQFDZIVEP-LBPRGKRZSA-N 1 0 384.415 1.867 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCC1(F)F)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078065 951678268 /nfs/dbraw/zinc/67/82/68/951678268.db2.gz JQQYOMILHJESKP-GXFFZTMASA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](CNC(=O)CCc1ccon1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078861 951684686 /nfs/dbraw/zinc/68/46/86/951684686.db2.gz APGSRKSIHZIIJC-LBPRGKRZSA-N 1 0 387.419 1.469 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCC1(F)F)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078947 951686042 /nfs/dbraw/zinc/68/60/42/951686042.db2.gz OFFULVNFCPWIFD-IINYFYTJSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575079343 951690549 /nfs/dbraw/zinc/69/05/49/951690549.db2.gz DBFWNAHFOHIKLD-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575080145 951705062 /nfs/dbraw/zinc/70/50/62/951705062.db2.gz WEIXVAFYJONDOH-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)c1ccon1)C1CC1 ZINC001575080408 951708683 /nfs/dbraw/zinc/70/86/83/951708683.db2.gz LBUMYENNUSSVLU-GOSISDBHSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@@H](CNC(=O)C1CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080448 951710067 /nfs/dbraw/zinc/71/00/67/951710067.db2.gz MDNKATYFVDFLEZ-GFCCVEGCSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)CCn1cccc1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080757 951714870 /nfs/dbraw/zinc/71/48/70/951714870.db2.gz RCQBAODBAHOFSE-AWEZNQCLSA-N 1 0 385.447 1.740 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H](C)n1cccn1 ZINC001575081140 951719175 /nfs/dbraw/zinc/71/91/75/951719175.db2.gz OPFFMBQZKZFBDF-CHWSQXEVSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)n1cccn1 ZINC001575081142 951719649 /nfs/dbraw/zinc/71/96/49/951719649.db2.gz OPFFMBQZKZFBDF-QWHCGFSZSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](CNC(=O)c1cncs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081704 951725372 /nfs/dbraw/zinc/72/53/72/951725372.db2.gz RSWNNEQGUXVSBJ-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575081924 951729390 /nfs/dbraw/zinc/72/93/90/951729390.db2.gz WSXHWUQANHXHCW-LPHOPBHVSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](CNC(=O)C1(CF)CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082715 951736236 /nfs/dbraw/zinc/73/62/36/951736236.db2.gz YRJQQJXUFXBJEU-GFCCVEGCSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001575088899 951744329 /nfs/dbraw/zinc/74/43/29/951744329.db2.gz COCVFIYAZIBOHW-DZGCQCFKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089332 951748679 /nfs/dbraw/zinc/74/86/79/951748679.db2.gz GDUJDCQEIAFHKM-ZOCIIQOWSA-N 1 0 391.479 1.907 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089467 951749224 /nfs/dbraw/zinc/74/92/24/951749224.db2.gz FYVQXSREGVZRNG-KGLIPLIRSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091121 951770248 /nfs/dbraw/zinc/77/02/48/951770248.db2.gz PKRLXFSYJCWTFV-KBPBESRZSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091461 951776561 /nfs/dbraw/zinc/77/65/61/951776561.db2.gz RROZLTKOTYFDRX-VHSSKADRSA-N 1 0 384.484 1.524 20 0 GDADRO C[C@@H](CNC(=O)CCc1nccs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091821 951783264 /nfs/dbraw/zinc/78/32/64/951783264.db2.gz VELKHVSVQWKEJH-CYBMUJFWSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccc(=O)[nH]c1 ZINC001575091897 951785355 /nfs/dbraw/zinc/78/53/55/951785355.db2.gz YJMKGZKLZGDHPF-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001575093026 951795992 /nfs/dbraw/zinc/79/59/92/951795992.db2.gz HEISEDKIADVDML-RHSMWYFYSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001575095156 951810785 /nfs/dbraw/zinc/81/07/85/951810785.db2.gz SSKCWTTYCQSSIE-AWEZNQCLSA-N 1 0 382.472 1.800 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098500 951823726 /nfs/dbraw/zinc/82/37/26/951823726.db2.gz DRPSVEFASKTZCZ-LBPRGKRZSA-N 1 0 388.501 1.861 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099547 951836988 /nfs/dbraw/zinc/83/69/88/951836988.db2.gz MZFFKENCBHFMRI-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001575104018 951878878 /nfs/dbraw/zinc/87/88/78/951878878.db2.gz AXAQDZSDKFYHDU-USWWRNFRSA-N 1 0 382.390 1.844 20 0 GDADRO C[C@@H](CNC(=O)CC1CCOCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575104157 951881103 /nfs/dbraw/zinc/88/11/03/951881103.db2.gz XUWPIAVWHCAFQX-CYBMUJFWSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)CCc1ccnn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105432 951894001 /nfs/dbraw/zinc/89/40/01/951894001.db2.gz JKDCXVLYYQDXAK-AWEZNQCLSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575105608 951895427 /nfs/dbraw/zinc/89/54/27/951895427.db2.gz LJSPBJGGHOQJEY-JXFKEZNVSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575105822 951900247 /nfs/dbraw/zinc/90/02/47/951900247.db2.gz OFYXLKCGCXWBEA-IBGZPJMESA-N 1 0 380.456 1.138 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc2c(c1)COC2)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575106093 951900355 /nfs/dbraw/zinc/90/03/55/951900355.db2.gz PWAULBGLIJXGON-GFCCVEGCSA-N 1 0 381.440 1.475 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001575105901 951900674 /nfs/dbraw/zinc/90/06/74/951900674.db2.gz PHGFEKJWWOFERT-FOIQADDNSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575105824 951901718 /nfs/dbraw/zinc/90/17/18/951901718.db2.gz OFYXLKCGCXWBEA-LJQANCHMSA-N 1 0 380.456 1.138 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1cc(F)c[nH]1 ZINC001575106124 951902382 /nfs/dbraw/zinc/90/23/82/951902382.db2.gz QDCYRYGDTCTDTD-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](CNC(=O)c1ccn(C(F)F)n1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107322 951916993 /nfs/dbraw/zinc/91/69/93/951916993.db2.gz 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C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001571166773 952765346 /nfs/dbraw/zinc/76/53/46/952765346.db2.gz PZMMDMOYWIXBOT-CXAGYDPISA-N 1 0 380.456 1.094 20 0 GDADRO CCc1cc(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)[nH]n1 ZINC001571167016 952769167 /nfs/dbraw/zinc/76/91/67/952769167.db2.gz SNBCXYJDWKSJAX-UHFFFAOYSA-N 1 0 380.456 1.450 20 0 GDADRO CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001571167204 952771461 /nfs/dbraw/zinc/77/14/61/952771461.db2.gz YCEQREWCAKTCMW-MRXNPFEDSA-N 1 0 380.456 1.635 20 0 GDADRO Cc1ccc(C(=O)N2CCC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)n1C ZINC001571169384 952772840 /nfs/dbraw/zinc/77/28/40/952772840.db2.gz BCRIWJZLYNKPMJ-CQSZACIVSA-N 1 0 380.456 1.295 20 0 GDADRO Cc1cccnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571169397 952772902 /nfs/dbraw/zinc/77/29/02/952772902.db2.gz BLJAHWZVAVAWET-HIFRSBDPSA-N 1 0 380.456 1.539 20 0 GDADRO CCn1ccnc1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169385 952772990 /nfs/dbraw/zinc/77/29/90/952772990.db2.gz BDYRAUDZTXSIFW-MRXNPFEDSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1c[nH]nc1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001571169526 952774341 /nfs/dbraw/zinc/77/43/41/952774341.db2.gz FWLRNNHVBSKXSC-CZUORRHYSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]n1 ZINC001571169602 952775977 /nfs/dbraw/zinc/77/59/77/952775977.db2.gz HOKHXBJORJIFFE-HNNXBMFYSA-N 1 0 380.456 1.540 20 0 GDADRO Cc1cccnc1C[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571169713 952777010 /nfs/dbraw/zinc/77/70/10/952777010.db2.gz LAAFNINQRGCSOD-CQSZACIVSA-N 1 0 380.456 1.540 20 0 GDADRO Cc1cccnc1C[N@H+]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C ZINC001571169804 952779753 /nfs/dbraw/zinc/77/97/53/952779753.db2.gz NZRNTRVUUBBCHR-DZGCQCFKSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1ncc(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571170557 952787491 /nfs/dbraw/zinc/78/74/91/952787491.db2.gz WMZULNDUSUAOGH-HOTGVXAUSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@H]1C ZINC001571170543 952787588 /nfs/dbraw/zinc/78/75/88/952787588.db2.gz WFQZLBLJVWBIPJ-SUMWQHHRSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1c[nH]nc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001571170841 952789774 /nfs/dbraw/zinc/78/97/74/952789774.db2.gz XLJGQHQDQUWFDF-CZUORRHYSA-N 1 0 380.456 1.396 20 0 GDADRO O=C(Cn1cccn1)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571171527 952793604 /nfs/dbraw/zinc/79/36/04/952793604.db2.gz BMLMQDNYBOYIMZ-QGZVFWFLSA-N 1 0 380.456 1.234 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c(F)c1 ZINC001571178295 952838363 /nfs/dbraw/zinc/83/83/63/952838363.db2.gz FKOBTAYYWQVJNL-ZDUSSCGKSA-N 1 0 381.415 1.705 20 0 GDADRO Cc1cc(N2CCN(C(=O)[C@H](C)Cc3ccco3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571179648 952855014 /nfs/dbraw/zinc/85/50/14/952855014.db2.gz HZJXTYDMQRAVGP-CYBMUJFWSA-N 1 0 381.440 1.691 20 0 GDADRO Cc1nocc1C(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571180278 952859055 /nfs/dbraw/zinc/85/90/55/952859055.db2.gz OHRJFVYJFYIYNH-RDJZCZTQSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1nocc1C(=O)N1CCC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571180957 952861118 /nfs/dbraw/zinc/86/11/18/952861118.db2.gz RTHRVFVGYRZCOP-UHFFFAOYSA-N 1 0 381.440 1.805 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@H]2C)o1 ZINC001571181002 952861216 /nfs/dbraw/zinc/86/12/16/952861216.db2.gz SVBPZTUOSWCLQV-PXAZEXFGSA-N 1 0 381.440 1.485 20 0 GDADRO Cc1conc1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571181013 952863598 /nfs/dbraw/zinc/86/35/98/952863598.db2.gz SYKBRTCGDOANCS-WBMJQRKESA-N 1 0 381.440 1.804 20 0 GDADRO Cc1cnoc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC001571181755 952863958 /nfs/dbraw/zinc/86/39/58/952863958.db2.gz XUORSKAQXAZSJZ-XJKSGUPXSA-N 1 0 381.440 1.946 20 0 GDADRO Cc1cc(C(=O)NCC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)no1 ZINC001571181844 952865632 /nfs/dbraw/zinc/86/56/32/952865632.db2.gz YZJUZQDLDIOFMF-UHFFFAOYSA-N 1 0 381.440 1.805 20 0 GDADRO COCc1cccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571182721 952868606 /nfs/dbraw/zinc/86/86/06/952868606.db2.gz CPMBGFPRQZPXNP-OAHLLOKOSA-N 1 0 381.440 1.346 20 0 GDADRO CCc1cc(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC001571182917 952871022 /nfs/dbraw/zinc/87/10/22/952871022.db2.gz JLSCLXNXRQYSHK-UHFFFAOYSA-N 1 0 381.440 1.715 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001571183637 952880707 /nfs/dbraw/zinc/88/07/07/952880707.db2.gz GNRARXSRTGQZGH-BLLLJJGKSA-N 1 0 381.444 1.158 20 0 GDADRO CCCc1cc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571183733 952881907 /nfs/dbraw/zinc/88/19/07/952881907.db2.gz IIBDTNVAMOPCIR-CYBMUJFWSA-N 1 0 381.444 1.254 20 0 GDADRO Cc1nn(C)cc1C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571187753 952909872 /nfs/dbraw/zinc/90/98/72/952909872.db2.gz BNJUZYZMBVBSSJ-CYBMUJFWSA-N 1 0 381.444 1.011 20 0 GDADRO Cc1cnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 ZINC001571187967 952910869 /nfs/dbraw/zinc/91/08/69/952910869.db2.gz DXFJWFRVEKMWCZ-OLZOCXBDSA-N 1 0 381.444 1.249 20 0 GDADRO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 ZINC001571188592 952917239 /nfs/dbraw/zinc/91/72/39/952917239.db2.gz LMWIVAFVEUQYJK-OLZOCXBDSA-N 1 0 381.444 1.106 20 0 GDADRO Cc1cc(N(C)C[C@@H]2CCCN2C(=O)c2ccnn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188642 952917932 /nfs/dbraw/zinc/91/79/32/952917932.db2.gz MHXAUJHFTFVEDK-ZDUSSCGKSA-N 1 0 381.444 1.045 20 0 GDADRO Cn1cc([C@@H]2CCC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)nn1 ZINC001571188769 952919195 /nfs/dbraw/zinc/91/91/95/952919195.db2.gz ILTDFHRPPIOEOW-CQSZACIVSA-N 1 0 381.444 1.203 20 0 GDADRO Cc1cnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nc1 ZINC001571189526 952931280 /nfs/dbraw/zinc/93/12/80/952931280.db2.gz WUILQGDCGIKLBM-UONOGXRCSA-N 1 0 381.444 1.124 20 0 GDADRO CCc1oncc1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571198962 952995375 /nfs/dbraw/zinc/99/53/75/952995375.db2.gz IVTPLUKFVLDKSB-GFCCVEGCSA-N 1 0 382.428 1.519 20 0 GDADRO CC(C)c1oncc1C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571199953 953005516 /nfs/dbraw/zinc/00/55/16/953005516.db2.gz FAFLWIMLJBUQBM-GFCCVEGCSA-N 1 0 382.428 1.512 20 0 GDADRO Cc1cc(N2CCC[C@@H]([C@H](C)NC(=O)c3cnco3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571200151 953007862 /nfs/dbraw/zinc/00/78/62/953007862.db2.gz BCRJJPUZASJBNO-QWHCGFSZSA-N 1 0 382.428 1.593 20 0 GDADRO O=C(c1cnccn1)N1CCC[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571201596 953018878 /nfs/dbraw/zinc/01/88/78/953018878.db2.gz SIVTXSOGTMJDTM-AWEZNQCLSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1cnoc1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571202406 953025315 /nfs/dbraw/zinc/02/53/15/953025315.db2.gz ULTKVMFPBVOYHR-STQMWFEESA-N 1 0 382.428 1.654 20 0 GDADRO Cc1ncoc1C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C12CCC2 ZINC001571207134 953059923 /nfs/dbraw/zinc/05/99/23/953059923.db2.gz WAWAUAOYFDVCBP-LSDHHAIUSA-N 1 0 382.428 1.322 20 0 GDADRO O=C(N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1-c1nn[nH]n1)C2)[C@@H]1CCOC1 ZINC001571211572 953078734 /nfs/dbraw/zinc/07/87/34/953078734.db2.gz BXIKDKVPOLJBMY-GUXCAODWSA-N 1 0 382.468 1.374 20 0 GDADRO C[C@@]1(CNc2ncccc2-c2nn[nH]n2)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571212032 953082832 /nfs/dbraw/zinc/08/28/32/953082832.db2.gz HOHFNYKWFKAPRK-SFHVURJKSA-N 1 0 382.472 1.008 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1ncccc1O ZINC001571216665 953103591 /nfs/dbraw/zinc/10/35/91/953103591.db2.gz AZWNOQVMIQMTIY-JOCQHMNTSA-N 1 0 383.387 1.157 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)C(F)(F)F ZINC001571217001 953105197 /nfs/dbraw/zinc/10/51/97/953105197.db2.gz DSJGQNUMVXXDCJ-OUAUKWLOSA-N 1 0 383.378 1.388 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001571219325 953124952 /nfs/dbraw/zinc/12/49/52/953124952.db2.gz XMCOPVDFSBTJJO-IUCAKERBSA-N 1 0 382.881 1.084 20 0 GDADRO CCOc1nc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571219342 953125196 /nfs/dbraw/zinc/12/51/96/953125196.db2.gz NVGBZJAAROIROA-AWEZNQCLSA-N 1 0 383.412 1.258 20 0 GDADRO Cc1c[nH]cc1C(=O)N1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1 ZINC001571229352 953169205 /nfs/dbraw/zinc/16/92/05/953169205.db2.gz CSTYIYNPMUZZFZ-SJCJKPOMSA-N 1 0 383.431 1.893 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1[NH2+]CCc1ccccc1F ZINC001571229729 953171404 /nfs/dbraw/zinc/17/14/04/953171404.db2.gz LJHPMFPUVSWTBF-PXAZEXFGSA-N 1 0 383.431 1.627 20 0 GDADRO C[C@@](O)(C[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)c1ccc(F)cc1 ZINC001571230106 953173485 /nfs/dbraw/zinc/17/34/85/953173485.db2.gz RVLADTCATXJPHN-LJQANCHMSA-N 1 0 383.431 1.431 20 0 GDADRO CC[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nn[nH]n4)C[C@H]32)O1 ZINC001571231124 953183506 /nfs/dbraw/zinc/18/35/06/953183506.db2.gz SZGCJVCYFKOJCN-BQHCWPDZSA-N 1 0 383.456 1.079 20 0 GDADRO CCn1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571233249 953190875 /nfs/dbraw/zinc/19/08/75/953190875.db2.gz PYWHJDNNDWTQDF-QWHCGFSZSA-N 1 0 383.460 1.052 20 0 GDADRO Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571233864 953197042 /nfs/dbraw/zinc/19/70/42/953197042.db2.gz GIGDQUJLUCKISW-ZDUSSCGKSA-N 1 0 383.481 1.884 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cscn1 ZINC001571233965 953197887 /nfs/dbraw/zinc/19/78/87/953197887.db2.gz JHPWSZQRGDHPQE-LRDDRELGSA-N 1 0 383.481 1.645 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571238827 953232913 /nfs/dbraw/zinc/23/29/13/953232913.db2.gz ASQNXGGENGNWRQ-CQSZACIVSA-N 1 0 384.419 1.432 20 0 GDADRO C[N@H+](Cc1cncc(F)c1)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571238813 953233101 /nfs/dbraw/zinc/23/31/01/953233101.db2.gz ANAXSYGVNLMKRC-UHFFFAOYSA-N 1 0 384.419 1.466 20 0 GDADRO C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571239226 953237447 /nfs/dbraw/zinc/23/74/47/953237447.db2.gz IBKYWGYWHUYERP-RISCZKNCSA-N 1 0 384.419 1.227 20 0 GDADRO Cc1ccc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)o1 ZINC001571239195 953237474 /nfs/dbraw/zinc/23/74/74/953237474.db2.gz HMLHJJGLSVBNCC-OKILXGFUSA-N 1 0 384.415 1.887 20 0 GDADRO CC1(NC(=O)c2ncc[nH]2)CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571239413 953238799 /nfs/dbraw/zinc/23/87/99/953238799.db2.gz KYJDRMQFGUXYBD-UHFFFAOYSA-N 1 0 384.419 1.513 20 0 GDADRO C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC001571239942 953244675 /nfs/dbraw/zinc/24/46/75/953244675.db2.gz VFKOSFXGSNFBMV-BXUZGUMPSA-N 1 0 384.419 1.227 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1cn[nH]c1 ZINC001571241463 953246472 /nfs/dbraw/zinc/24/64/72/953246472.db2.gz ABVSBPSEUBOGTN-ZIAGYGMSSA-N 1 0 384.419 1.560 20 0 GDADRO Cn1cnc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)c1 ZINC001571241923 953251468 /nfs/dbraw/zinc/25/14/68/953251468.db2.gz PUXITBLFBFEEJT-GOSISDBHSA-N 1 0 384.419 1.134 20 0 GDADRO CCc1noc(C)c1C[NH2+]C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571242409 953255975 /nfs/dbraw/zinc/25/59/75/953255975.db2.gz FQPPVHRJVLOVRZ-UHFFFAOYSA-N 1 0 384.444 1.448 20 0 GDADRO CCN(C(=O)c1ccncn1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571244635 953266002 /nfs/dbraw/zinc/26/60/02/953266002.db2.gz CTUPSRSGLCIUEL-LBPRGKRZSA-N 1 0 384.469 1.455 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1CNC(=O)c1cnns1 ZINC001571245074 953269964 /nfs/dbraw/zinc/26/99/64/953269964.db2.gz NJXTVNCOEVPDOJ-BXUZGUMPSA-N 1 0 384.469 1.216 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245851 953277453 /nfs/dbraw/zinc/27/74/53/953277453.db2.gz NFMVIMHIKBKJDV-NWDGAFQWSA-N 1 0 384.469 1.350 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cscn2)C12CCC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571247668 953284411 /nfs/dbraw/zinc/28/44/11/953284411.db2.gz BXNYMCPWRGIHLC-KBPBESRZSA-N 1 0 384.469 1.482 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001571247772 953286491 /nfs/dbraw/zinc/28/64/91/953286491.db2.gz DPXLUHXWVGJWMS-FXAWDEMLSA-N 1 0 384.484 1.764 20 0 GDADRO CC[C@H](OC)C(=O)N1CC[C@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571247991 953288185 /nfs/dbraw/zinc/28/81/85/953288185.db2.gz KMQDUGGBJTXUJL-PXNSSMCTSA-N 1 0 384.484 1.716 20 0 GDADRO CC(C)C(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571248246 953291462 /nfs/dbraw/zinc/29/14/62/953291462.db2.gz OMZIRFXXCXJBOS-MGPUTAFESA-N 1 0 384.484 1.715 20 0 GDADRO C[C@](O)(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001571248770 953297129 /nfs/dbraw/zinc/29/71/29/953297129.db2.gz ZNOQYNCGEVEGRG-XLIONFOSSA-N 1 0 384.484 1.498 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3ncccc3-c3nn[nH]n3)C2)C1 ZINC001571249015 953299522 /nfs/dbraw/zinc/29/95/22/953299522.db2.gz AVUKGGZISVOYHC-GJZGRUSLSA-N 1 0 384.488 1.031 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571249100 953300199 /nfs/dbraw/zinc/30/01/99/953300199.db2.gz DFYYHZQOICZJDP-WBVHZDCISA-N 1 0 384.488 1.539 20 0 GDADRO O=C(CC[C@H]1CCOC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571249601 953305810 /nfs/dbraw/zinc/30/58/10/953305810.db2.gz JQCVNJWLNATVJH-FUHWJXTLSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC001571250533 953311234 /nfs/dbraw/zinc/31/12/34/953311234.db2.gz QLCNYMMECWLBAR-ZWKOTPCHSA-N 1 0 384.484 1.668 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252056 953323162 /nfs/dbraw/zinc/32/31/62/953323162.db2.gz GHAOZQHDYLXBBI-CVEARBPZSA-N 1 0 384.488 1.221 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252058 953323225 /nfs/dbraw/zinc/32/32/25/953323225.db2.gz GHAOZQHDYLXBBI-HZPDHXFCSA-N 1 0 384.488 1.221 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252731 953332050 /nfs/dbraw/zinc/33/20/50/953332050.db2.gz VFKZZHMUBGPPHW-JKSUJKDBSA-N 1 0 384.488 1.079 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2-c2nn[nH]n2)C1 ZINC001571252862 953332912 /nfs/dbraw/zinc/33/29/12/953332912.db2.gz XLWMBZUNOIMBRO-DZKIICNBSA-N 1 0 384.488 1.504 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)C[NH+]3CCCC3)CC[C@@H]2C)n1 ZINC001571252833 953333097 /nfs/dbraw/zinc/33/30/97/953333097.db2.gz WHPYSTFEDWYXIA-GJZGRUSLSA-N 1 0 384.488 1.139 20 0 GDADRO CN(C(=O)c1cnco1)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001571254580 953340069 /nfs/dbraw/zinc/34/00/69/953340069.db2.gz HFTUEXDLDNHURO-UHFFFAOYSA-N 1 0 385.403 1.730 20 0 GDADRO Cc1ocnc1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571255171 953345806 /nfs/dbraw/zinc/34/58/06/953345806.db2.gz LZGRIAOZMYDTHJ-CYBMUJFWSA-N 1 0 385.403 1.554 20 0 GDADRO O=C(Cc1ccon1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571255186 953345963 /nfs/dbraw/zinc/34/59/63/953345963.db2.gz MJCNEYRFYGSRDJ-UHFFFAOYSA-N 1 0 385.403 1.317 20 0 GDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC[C@]3(C)C(=O)[O-])CC2)cc1 ZINC000530209223 953558927 /nfs/dbraw/zinc/55/89/27/953558927.db2.gz VLWCKPLVVPBYTI-OAQYLSRUSA-N 1 0 389.496 1.669 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)N2CCN(C/C=C\c3ccccc3)CC2)CC1 ZINC000874416566 956201522 /nfs/dbraw/zinc/20/15/22/956201522.db2.gz RDPVQQCOKXHKIZ-DAXSKMNVSA-N 1 0 386.496 1.576 20 0 GDADRO C[NH+](C)C[C@@H]1CN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C[C@H]1C[NH+](C)C ZINC001604075007 972468396 /nfs/dbraw/zinc/46/83/96/972468396.db2.gz SQNWTGVHVTZPFI-KZNAEPCWSA-N 1 0 392.544 1.752 20 0 GDADRO O=C([O-])C1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC001354072254 962715525 /nfs/dbraw/zinc/71/55/25/962715525.db2.gz IZMJTTMEGBEHQL-IBGZPJMESA-N 1 0 388.512 1.597 20 0 GDADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001595483710 981213269 /nfs/dbraw/zinc/21/32/69/981213269.db2.gz PEQPQRZBPLDOHY-KRWDZBQOSA-N 1 0 389.500 1.451 20 0 GDADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[N@H+](C)C[C@@H](C(=O)[O-])C3)c2)CC1 ZINC001596442525 984137388 /nfs/dbraw/zinc/13/73/88/984137388.db2.gz WSIUUBFFQDCNQF-MRXNPFEDSA-N 1 0 389.500 1.309 20 0 GDADRO CCOC(=O)c1ccn(-c2cccc(C[NH2+]C3CC[NH+](CC(=O)[O-])CC3)c2)n1 ZINC001596731986 985005135 /nfs/dbraw/zinc/00/51/35/985005135.db2.gz PTKJSPUUTWGJDO-UHFFFAOYSA-N 1 0 386.452 1.688 20 0 GDADRO C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001589360215 986367007 /nfs/dbraw/zinc/36/70/07/986367007.db2.gz JHOODFCBLGNWBI-FXAWDEMLSA-N 1 0 387.524 1.804 20 0 GDADRO C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001589414287 986628785 /nfs/dbraw/zinc/62/87/85/986628785.db2.gz DWQJMJCKJIZUPT-XWIAVFTESA-N 1 0 375.469 1.218 20 0 GDADRO CN(C(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1C(=O)[O-] ZINC001598022429 990213885 /nfs/dbraw/zinc/21/38/85/990213885.db2.gz FTYYFVQPTNFRDS-CRAIPNDOSA-N 1 0 375.469 1.566 20 0 GDADRO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)[O-])C1 ZINC001599696829 991161030 /nfs/dbraw/zinc/16/10/30/991161030.db2.gz CDDVCDRQDLNZMY-ODCFSMADSA-N 1 0 375.469 1.339 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1 ZINC001591365834 992370530 /nfs/dbraw/zinc/37/05/30/992370530.db2.gz DJTDYTGKSWSZKJ-MBOZVWFJSA-N 1 0 381.517 1.036 20 0 GDADRO C[N@@H+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C(=O)[O-])C1 ZINC001598606359 993666355 /nfs/dbraw/zinc/66/63/55/993666355.db2.gz BDXMNUOIUJVEAM-LJQANCHMSA-N 1 0 388.512 1.830 20 0 GDADRO C[C@@]1(C(=O)[O-])CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001593770183 996458200 /nfs/dbraw/zinc/45/82/00/996458200.db2.gz XJDCWLDLVCZDQO-HXUWFJFHSA-N 1 0 389.500 1.490 20 0 GDADRO COC1([C@H](C(=O)[O-])[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC001599083948 997060306 /nfs/dbraw/zinc/06/03/06/997060306.db2.gz ZPAKORLGVGJVFL-UXHICEINSA-N 1 0 387.524 1.901 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)cc1 ZINC000873190640 1126118092 /nfs/dbraw/zinc/11/80/92/1126118092.db2.gz BPUKDLQOWBMTTH-OAQYLSRUSA-N 1 0 385.512 1.320 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cn(Cc3cccnc3)nn2)cc1OC ZINC000873192308 1126120383 /nfs/dbraw/zinc/12/03/83/1126120383.db2.gz DBKPSVNQBHKYRY-OAQYLSRUSA-N 1 0 397.479 1.822 20 0 GDADRO NS(=O)(=O)c1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000877037354 1126121684 /nfs/dbraw/zinc/12/16/84/1126121684.db2.gz ODCZOXVUIMEIJR-CVEARBPZSA-N 1 0 388.411 1.958 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2c3c(nn2C)CCOC3)cc1OC ZINC000922330590 1126134760 /nfs/dbraw/zinc/13/47/60/1126134760.db2.gz UNDGBHYWDGAXIX-FQEVSTJZSA-N 1 0 375.469 1.593 20 0 GDADRO CN(CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)s1 ZINC000158440666 530532640 /nfs/dbraw/zinc/53/26/40/530532640.db2.gz KQAUDJNZBLWCBG-MNOVXSKESA-N 1 0 379.935 1.656 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000158490626 530533657 /nfs/dbraw/zinc/53/36/57/530533657.db2.gz WZVIGBAEIQBOIS-ZFWWWQNUSA-N 1 0 385.555 1.709 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000158824172 530536275 /nfs/dbraw/zinc/53/62/75/530536275.db2.gz NKTALCAGZDVNII-GJZGRUSLSA-N 1 0 386.949 1.914 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159181093 530541012 /nfs/dbraw/zinc/54/10/12/530541012.db2.gz ZYQQLANOHKHBFK-KRWDZBQOSA-N 1 0 383.539 1.287 20 0 GDADRO C[NH+](C)CCCNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000010077866 530552006 /nfs/dbraw/zinc/55/20/06/530552006.db2.gz 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CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)CC1 ZINC000163214046 530573999 /nfs/dbraw/zinc/57/39/99/530573999.db2.gz AGGHVNPICRZBEX-VWLOTQADSA-N 1 0 385.917 1.711 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1Br ZINC000163179686 530574394 /nfs/dbraw/zinc/57/43/94/530574394.db2.gz SWAFTAWYJQANQB-OAHLLOKOSA-N 1 0 399.333 1.860 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(I)c(F)c2)CCO1 ZINC000163261615 530574651 /nfs/dbraw/zinc/57/46/51/530574651.db2.gz ZUOMNGBHQSGNQG-QPUJVOFHSA-N 1 0 378.185 1.619 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(F)cc2I)CCO1 ZINC000163287778 530575000 /nfs/dbraw/zinc/57/50/00/530575000.db2.gz PZUKXGVHHSXSOD-QPUJVOFHSA-N 1 0 378.185 1.619 20 0 GDADRO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025331422 530580626 /nfs/dbraw/zinc/58/06/26/530580626.db2.gz ZPPYZTIRWJUFSN-AWEZNQCLSA-N 1 0 383.495 1.437 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000165380137 530580932 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C[NH+](C)C1(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCCCCC1 ZINC000026956911 530587320 /nfs/dbraw/zinc/58/73/20/530587320.db2.gz RDOFDPYWVYQUPY-UHFFFAOYSA-N 1 0 389.543 1.267 20 0 GDADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173209080 530626165 /nfs/dbraw/zinc/62/61/65/530626165.db2.gz URPITYSSNWTKSG-GFCCVEGCSA-N 1 0 382.233 1.999 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)N1CC[NH+](C)CC1 ZINC000173203686 530626228 /nfs/dbraw/zinc/62/62/28/530626228.db2.gz WLQXTHBHJPAUIF-LLVKDONJSA-N 1 0 394.310 1.502 20 0 GDADRO O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173228049 530627294 /nfs/dbraw/zinc/62/72/94/530627294.db2.gz URYBOFOROQBVRA-CYBMUJFWSA-N 1 0 396.285 1.568 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2ccccc2I)CC1 ZINC000042590210 530629931 /nfs/dbraw/zinc/62/99/31/530629931.db2.gz DFDUUBNBZOESOW-UHFFFAOYSA-N 1 0 387.265 1.659 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000173603313 530633588 /nfs/dbraw/zinc/63/35/88/530633588.db2.gz 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C[C@@H]([NH2+]Cc1cc(Br)cs1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000111402580 530875050 /nfs/dbraw/zinc/87/50/50/530875050.db2.gz WWQYGQULYJZRMG-ZJUUUORDSA-N 1 0 395.344 1.540 20 0 GDADRO Nc1cc[nH+]cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000187245404 530869318 /nfs/dbraw/zinc/86/93/18/530869318.db2.gz UPBVXTURPBNZAY-UHFFFAOYSA-N 1 0 380.857 1.464 20 0 GDADRO C[C@@H](NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1)C(=O)N(C)C ZINC000111252992 530873075 /nfs/dbraw/zinc/87/30/75/530873075.db2.gz FGMOXPXDDZLEEW-GFCCVEGCSA-N 1 0 384.318 1.953 20 0 GDADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)[C@H]3CCN(c4ccccc4Br)C3=O)C[C@H]21 ZINC000185165852 530837860 /nfs/dbraw/zinc/83/78/60/530837860.db2.gz OFTDQMQMGVAJLT-JLNYLFASSA-N 1 0 392.297 1.998 20 0 GDADRO CN(C)c1ccncc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000185196295 530838031 /nfs/dbraw/zinc/83/80/31/530838031.db2.gz YFSAKCOPJDQSPG-UHFFFAOYSA-N 1 0 380.436 1.799 20 0 GDADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185288582 530839088 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C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000121557318 530957853 /nfs/dbraw/zinc/95/78/53/530957853.db2.gz WDOPGQTXAXPWNQ-RISCZKNCSA-N 1 0 378.491 1.190 20 0 GDADRO O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000121931630 530964057 /nfs/dbraw/zinc/96/40/57/530964057.db2.gz DZFOFQUQVNKUEF-CJNGLKHVSA-N 1 0 385.917 1.609 20 0 GDADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000190853301 530938934 /nfs/dbraw/zinc/93/89/34/530938934.db2.gz MPBVHOZFXYWKJQ-UHFFFAOYSA-N 1 0 382.935 1.706 20 0 GDADRO COCC[N@H+](C)CCNC(=O)Cc1ccc(I)cc1 ZINC000190917694 530939901 /nfs/dbraw/zinc/93/99/01/530939901.db2.gz JJRNKGQGJGFZQK-UHFFFAOYSA-N 1 0 376.238 1.528 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC3CC[NH2+]CC3)C2)s1 ZINC000120658235 530944387 /nfs/dbraw/zinc/94/43/87/530944387.db2.gz LKPSHOIXLMZOKP-HNNXBMFYSA-N 1 0 385.555 1.573 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)n1 ZINC000120688558 530945199 /nfs/dbraw/zinc/94/51/99/530945199.db2.gz RCHQRTQCVZWTFJ-UHFFFAOYSA-N 1 0 384.234 1.169 20 0 GDADRO O[C@@H](Cn1cccn1)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191303287 530946696 /nfs/dbraw/zinc/94/66/96/530946696.db2.gz QEIOISUEJAQUEE-LLVKDONJSA-N 1 0 376.408 1.327 20 0 GDADRO CN(CC(=O)N1CCC[C@@H]([NH3+])C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000191337059 530947407 /nfs/dbraw/zinc/94/74/07/530947407.db2.gz PXBYCJALTVOSHG-GFCCVEGCSA-N 1 0 390.303 1.019 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000191338381 530947642 /nfs/dbraw/zinc/94/76/42/530947642.db2.gz SYFKGPBNOCDMDG-GFCCVEGCSA-N 1 0 379.258 1.499 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C)c1Br ZINC000120934553 530947953 /nfs/dbraw/zinc/94/79/53/530947953.db2.gz HMBAFQKTOVDNKQ-UHFFFAOYSA-N 1 0 386.290 1.781 20 0 GDADRO O=S(=O)(C[C@H](O)CNCc1nccn1-c1ccccc1)c1cccs1 ZINC000191468395 530949331 /nfs/dbraw/zinc/94/93/31/530949331.db2.gz UIDXRZMJIJPUTR-OAHLLOKOSA-N 1 0 377.491 1.858 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)NCCNS(=O)(=O)c1cccs1)C(C)(C)C ZINC000121287880 530953688 /nfs/dbraw/zinc/95/36/88/530953688.db2.gz PEBLNNOPMWQAHI-ZDUSSCGKSA-N 1 0 390.575 1.692 20 0 GDADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000121335096 530955052 /nfs/dbraw/zinc/95/50/52/530955052.db2.gz ZWQXYSRFRGDQGA-GFCCVEGCSA-N 1 0 386.290 1.550 20 0 GDADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Br)C1 ZINC000122758180 530975921 /nfs/dbraw/zinc/97/59/21/530975921.db2.gz QEJDRADGPNMLDD-JTQLQIEISA-N 1 0 377.260 1.218 20 0 GDADRO Cc1nc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)ccc1Br ZINC000192930879 530976723 /nfs/dbraw/zinc/97/67/23/530976723.db2.gz PBSKUXWKWYBNDE-UHFFFAOYSA-N 1 0 399.289 1.320 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000192942741 530977236 /nfs/dbraw/zinc/97/72/36/530977236.db2.gz JLXARUKPNIAVJM-LLVKDONJSA-N 1 0 381.274 1.692 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc(Br)nc2)C1 ZINC000122961217 530977702 /nfs/dbraw/zinc/97/77/02/530977702.db2.gz IEFVXBIZUQCTCC-CQSZACIVSA-N 1 0 386.290 1.696 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193068501 530978790 /nfs/dbraw/zinc/97/87/90/530978790.db2.gz DJMOVCJPMXCFST-UHFFFAOYSA-N 1 0 383.290 1.973 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C2CC[NH+](C)CC2)s1 ZINC000193114984 530979580 /nfs/dbraw/zinc/97/95/80/530979580.db2.gz BGQACYSYXAOMLA-OAHLLOKOSA-N 1 0 385.555 1.762 20 0 GDADRO Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000123165213 530979978 /nfs/dbraw/zinc/97/99/78/530979978.db2.gz RZZCEKSRPUQDMC-OAHLLOKOSA-N 1 0 385.917 1.576 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1Br ZINC000193257707 530982028 /nfs/dbraw/zinc/98/20/28/530982028.db2.gz AORRUSJRTGZYLR-SNVBAGLBSA-N 1 0 376.276 1.438 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])cc1Br ZINC000193297627 530983827 /nfs/dbraw/zinc/98/38/27/530983827.db2.gz WENNANAURYIRCJ-SNVBAGLBSA-N 1 0 376.276 1.519 20 0 GDADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000123491458 530984086 /nfs/dbraw/zinc/98/40/86/530984086.db2.gz VDUNGGDKRZBDGN-UHFFFAOYSA-N 1 0 397.317 1.530 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)C[NH+]1CCN(C)CC1 ZINC000122201792 530968429 /nfs/dbraw/zinc/96/84/29/530968429.db2.gz AKHDMMZPXZYRTO-LBPRGKRZSA-N 1 0 387.311 1.932 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@H]2C1 ZINC000192471220 530968567 /nfs/dbraw/zinc/96/85/67/530968567.db2.gz XDEFAIDBRFSYQC-PHIMTYICSA-N 1 0 376.254 1.924 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192474060 530968865 /nfs/dbraw/zinc/96/88/65/530968865.db2.gz UZEMNMHZMNJOHM-UHFFFAOYSA-N 1 0 383.539 1.894 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O)CC(C)C ZINC000122347334 530969723 /nfs/dbraw/zinc/96/97/23/530969723.db2.gz JBOWPOIUMAZZPW-CVEARBPZSA-N 1 0 376.567 1.466 20 0 GDADRO CC1(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[NH2+]CC1 ZINC000193361607 530985123 /nfs/dbraw/zinc/98/51/23/530985123.db2.gz HXMRFONOHSSZEL-UHFFFAOYSA-N 1 0 380.242 1.303 20 0 GDADRO Cn1c2ccc(C[NH2+]CCNS(=O)(=O)c3cccnc3)cc2sc1=O ZINC000192643169 530971201 /nfs/dbraw/zinc/97/12/01/530971201.db2.gz VGWIBQDLHUIWMN-UHFFFAOYSA-N 1 0 378.479 1.063 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000193770111 530992776 /nfs/dbraw/zinc/99/27/76/530992776.db2.gz VIKGYROIMNWUOS-UHFFFAOYSA-N 1 0 384.395 1.710 20 0 GDADRO COc1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(OC)cc1Br ZINC000193416427 530985943 /nfs/dbraw/zinc/98/59/43/530985943.db2.gz VKRRLNSQQMELPP-KOLCDFICSA-N 1 0 393.303 1.743 20 0 GDADRO CN(CC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)S(C)(=O)=O ZINC000123742184 530986919 /nfs/dbraw/zinc/98/69/19/530986919.db2.gz KQRJJFPSOIXPER-LRDDRELGSA-N 1 0 391.896 1.480 20 0 GDADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc(Br)cc4c3OCC4)C2)N1 ZINC000193468686 530987291 /nfs/dbraw/zinc/98/72/91/530987291.db2.gz BXXOYEOLHPTUEU-INIZCTEOSA-N 1 0 380.242 1.558 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000193585588 530989631 /nfs/dbraw/zinc/98/96/31/530989631.db2.gz FPOBOARZRHLCHA-BLLLJJGKSA-N 1 0 385.917 1.995 20 0 GDADRO Cn1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1=O ZINC000125622246 531008875 /nfs/dbraw/zinc/00/88/75/531008875.db2.gz YSWZODKLQGBJBX-NWDGAFQWSA-N 1 0 399.289 1.075 20 0 GDADRO [NH3+]CCc1nc(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)cs1 ZINC000194810716 531010218 /nfs/dbraw/zinc/01/02/18/531010218.db2.gz IKZGBNAZTLCUIB-UHFFFAOYSA-N 1 0 384.458 1.476 20 0 GDADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000125896057 531011956 /nfs/dbraw/zinc/01/19/56/531011956.db2.gz KWVRPBPBTFKTCK-MRXNPFEDSA-N 1 0 375.579 1.921 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000195153585 531016297 /nfs/dbraw/zinc/01/62/97/531016297.db2.gz FEHSMTVILHZFKR-LLVKDONJSA-N 1 0 377.919 1.329 20 0 GDADRO CCN(CC)S(=O)(=O)CCNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000126254467 531016325 /nfs/dbraw/zinc/01/63/25/531016325.db2.gz IRMMUBGEQTZFEE-INIZCTEOSA-N 1 0 376.567 1.325 20 0 GDADRO O=C(CCSCC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[NH2+]C1 ZINC000126277315 531017156 /nfs/dbraw/zinc/01/71/56/531017156.db2.gz AVLPCBGDRQAUJN-ZDUSSCGKSA-N 1 0 386.315 1.989 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)s1 ZINC000195219275 531018088 /nfs/dbraw/zinc/01/80/88/531018088.db2.gz YOAPWJBRYNQIMD-KFWWJZLASA-N 1 0 383.539 1.135 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000126405349 531018572 /nfs/dbraw/zinc/01/85/72/531018572.db2.gz SFXYBVGHNLYJTG-UHFFFAOYSA-N 1 0 381.782 1.992 20 0 GDADRO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195249150 531019364 /nfs/dbraw/zinc/01/93/64/531019364.db2.gz MHXPWBSPGMIZPI-UPJWGTAASA-N 1 0 378.270 1.480 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000126782197 531022521 /nfs/dbraw/zinc/02/25/21/531022521.db2.gz WYQSXXXGAGLGJG-OAHLLOKOSA-N 1 0 380.286 1.779 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1ccc(I)c(O)c1 ZINC000230892827 531035144 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CS(=O)(=O)C1(C(=O)N2CC[C@@H](CSc3ccccc3)C2)CC[NH2+]CC1 ZINC000262558069 531123958 /nfs/dbraw/zinc/12/39/58/531123958.db2.gz PZDHMEPUNGBQMH-OAHLLOKOSA-N 1 0 382.551 1.794 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC[C@H]2CCC[NH2+]C2)s1 ZINC000262571498 531124241 /nfs/dbraw/zinc/12/42/41/531124241.db2.gz DPICBJNYMOCHAW-HUUCEWRRSA-N 1 0 385.555 1.716 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262588074 531125237 /nfs/dbraw/zinc/12/52/37/531125237.db2.gz QMDBKFKWGKBYGE-HNNXBMFYSA-N 1 0 387.571 1.530 20 0 GDADRO CN(C)[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccccc1Cl ZINC000262621814 531125919 /nfs/dbraw/zinc/12/59/19/531125919.db2.gz ZRMVKLBXRLUIDS-OAHLLOKOSA-N 1 0 387.933 1.226 20 0 GDADRO Cc1c(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc(Br)cc1S(N)(=O)=O ZINC000262654905 531126349 /nfs/dbraw/zinc/12/63/49/531126349.db2.gz ZLZCEBFWTPBPRL-AWEZNQCLSA-N 1 0 390.303 1.262 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)s1 ZINC000262757609 531129372 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GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000293751760 531441523 /nfs/dbraw/zinc/44/15/23/531441523.db2.gz OEHZHZBTSQZHRB-HLIUYOAVSA-N 1 0 388.555 1.849 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000447868852 531438469 /nfs/dbraw/zinc/43/84/69/531438469.db2.gz NHIUDYNAOUUQKF-UHFFFAOYSA-N 1 0 383.411 1.760 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1Cl ZINC000414295764 531439287 /nfs/dbraw/zinc/43/92/87/531439287.db2.gz DUIHOZBAYMNSOV-ZDUSSCGKSA-N 1 0 388.848 1.656 20 0 GDADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)Nc1c(F)cc(F)cc1Br ZINC000447905325 531440507 /nfs/dbraw/zinc/44/05/07/531440507.db2.gz MACUREKGCXOYJV-NWDGAFQWSA-N 1 0 379.201 1.795 20 0 GDADRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414377928 531445844 /nfs/dbraw/zinc/44/58/44/531445844.db2.gz KJNXTFPFCYRVKN-HZMBPMFUSA-N 1 0 388.331 1.669 20 0 GDADRO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414392555 531447782 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NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1Br ZINC000414365367 531444692 /nfs/dbraw/zinc/44/46/92/531444692.db2.gz LDMWRMXBESHAEZ-GXTWGEPZSA-N 1 0 375.288 1.754 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000486043427 531445155 /nfs/dbraw/zinc/44/51/55/531445155.db2.gz SBHHPGDKVZZAKB-CZUORRHYSA-N 1 0 394.313 1.931 20 0 GDADRO C[NH+](C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sccc1F ZINC000414453439 531452691 /nfs/dbraw/zinc/45/26/91/531452691.db2.gz CWUASKCUPCFDQY-LLVKDONJSA-N 1 0 384.520 1.017 20 0 GDADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000279775333 531453874 /nfs/dbraw/zinc/45/38/74/531453874.db2.gz SRAKXSNMWIDYBV-OAHLLOKOSA-N 1 0 383.539 1.644 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415310428 531473326 /nfs/dbraw/zinc/47/33/26/531473326.db2.gz WFWCXRJRMYLQHQ-UHFFFAOYSA-N 1 0 395.628 1.609 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(OC)cc2OC)C1 ZINC000415305789 531473613 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CC1(C)[NH2+]CC[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000449747958 531475105 /nfs/dbraw/zinc/47/51/05/531475105.db2.gz AADFGJKVJXSBHE-CYBMUJFWSA-N 1 0 389.315 1.621 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415330692 531475408 /nfs/dbraw/zinc/47/54/08/531475408.db2.gz LIRPGSWROWHZMC-LLVKDONJSA-N 1 0 386.246 1.817 20 0 GDADRO Cc1nnc(Sc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c(C)c2)s1 ZINC000415336683 531476808 /nfs/dbraw/zinc/47/68/08/531476808.db2.gz WGCQGNGQIMYPHI-LLVKDONJSA-N 1 0 377.495 1.723 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415346797 531477436 /nfs/dbraw/zinc/47/74/36/531477436.db2.gz SMFHSTFZZPKZAJ-SNVBAGLBSA-N 1 0 382.251 1.938 20 0 GDADRO CC[NH+](CC)CCN(C(=O)C[C@@H](O)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000486810149 531460910 /nfs/dbraw/zinc/46/09/10/531460910.db2.gz IHLWIUPTPVQCPX-HZPDHXFCSA-N 1 0 376.563 1.531 20 0 GDADRO Nc1c(Cl)cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1Cl ZINC000362700322 531462628 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CS[C@@H]1CN(c2ccc(S(=O)(=O)NCCC(C)C)cn2)C[C@@H]1[NH+](C)C ZINC000538095284 531465354 /nfs/dbraw/zinc/46/53/54/531465354.db2.gz JXZGMRRKVBXZIL-JKSUJKDBSA-N 1 0 386.587 1.888 20 0 GDADRO COc1ccc(I)c(NC(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000415068071 531465505 /nfs/dbraw/zinc/46/55/05/531465505.db2.gz DLBAJGHUETUTEF-JTQLQIEISA-N 1 0 391.209 1.491 20 0 GDADRO COc1ccc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(Br)c1 ZINC000415116413 531465802 /nfs/dbraw/zinc/46/58/02/531465802.db2.gz YFQKEVBSDPOSKW-NSHDSACASA-N 1 0 399.289 1.777 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)ccc1Br ZINC000415346810 531477546 /nfs/dbraw/zinc/47/75/46/531477546.db2.gz ALGVSQHDOZUDGP-VIFPVBQESA-N 1 0 384.230 1.042 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC[NH2+]1 ZINC000415189714 531466848 /nfs/dbraw/zinc/46/68/48/531466848.db2.gz QJSBCWPPOIPVRS-SNVBAGLBSA-N 1 0 380.392 1.353 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000362932450 531466975 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JZKYHQOUXWMIIW-UHFFFAOYSA-N 1 0 392.216 1.457 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415365016 531479330 /nfs/dbraw/zinc/47/93/30/531479330.db2.gz VFIVLOWHMUXMTF-JTQLQIEISA-N 1 0 380.246 1.427 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000280184703 531479716 /nfs/dbraw/zinc/47/97/16/531479716.db2.gz GTINZEOGHILJMJ-SWLSCSKDSA-N 1 0 383.905 1.728 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ccc1Cl ZINC000268167999 531480749 /nfs/dbraw/zinc/48/07/49/531480749.db2.gz KMSISBMQZQSSDR-LBPRGKRZSA-N 1 0 389.905 1.041 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)nn1-c1ccc(Cl)cc1Cl ZINC000415377156 531481047 /nfs/dbraw/zinc/48/10/47/531481047.db2.gz ZYIWUMBGVGZTLA-NSHDSACASA-N 1 0 382.251 1.986 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccncc1Br ZINC000415393667 531482445 /nfs/dbraw/zinc/48/24/45/531482445.db2.gz ZMBXZGYZDSNKKJ-NSHDSACASA-N 1 0 384.278 1.117 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415396483 531482521 /nfs/dbraw/zinc/48/25/21/531482521.db2.gz PNCLRGYNEXXQSM-LLVKDONJSA-N 1 0 380.286 1.944 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000488165778 531483033 /nfs/dbraw/zinc/48/30/33/531483033.db2.gz IAKCEDJODVUDIC-HZPDHXFCSA-N 1 0 377.551 1.054 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415400781 531483269 /nfs/dbraw/zinc/48/32/69/531483269.db2.gz WGLSGYMKHNPACN-LLVKDONJSA-N 1 0 384.274 1.820 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000415400803 531483431 /nfs/dbraw/zinc/48/34/31/531483431.db2.gz WHJDVIYZHUZNCD-LLVKDONJSA-N 1 0 384.274 1.854 20 0 GDADRO CC[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280249397 531483917 /nfs/dbraw/zinc/48/39/17/531483917.db2.gz IUHRWIDRLRHSGS-ZDUSSCGKSA-N 1 0 397.950 1.228 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(I)cc1C ZINC000415414824 531484261 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20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415468435 531488534 /nfs/dbraw/zinc/48/85/34/531488534.db2.gz WAOSNDRTLUDOFY-JOYOIKCWSA-N 1 0 398.257 1.370 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415465262 531488612 /nfs/dbraw/zinc/48/86/12/531488612.db2.gz FBJSLHIODHLEOF-MRVPVSSYSA-N 1 0 390.209 1.485 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415464510 531488969 /nfs/dbraw/zinc/48/89/69/531488969.db2.gz MYBGGMTUFYWITQ-UHFFFAOYSA-N 1 0 394.273 1.486 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC[C@@H]1[NH3+] ZINC000415465195 531489046 /nfs/dbraw/zinc/48/90/46/531489046.db2.gz RXKWIROOEPRNBQ-HQJQHLMTSA-N 1 0 376.201 1.862 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000415489796 531489512 /nfs/dbraw/zinc/48/95/12/531489512.db2.gz IYLIBFWQPGKFGC-GFCCVEGCSA-N 1 0 387.889 1.283 20 0 GDADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415521734 531491574 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COC[C@]1(CNC(=O)C(=O)Nc2cc(C)ccc2Br)CCC[NH2+]1 ZINC000415710227 531516623 /nfs/dbraw/zinc/51/66/23/531516623.db2.gz QVCUVZXXLVTAOX-MRXNPFEDSA-N 1 0 384.274 1.581 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1 ZINC000268459779 531516569 /nfs/dbraw/zinc/51/65/69/531516569.db2.gz TVUKEHPDLLNQFE-UHFFFAOYSA-N 1 0 381.479 1.520 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000548886077 531517761 /nfs/dbraw/zinc/51/77/61/531517761.db2.gz QVBKYRFJPPFRMH-GFCCVEGCSA-N 1 0 392.884 1.151 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2ccc(Br)cc2C)CCC[NH2+]1 ZINC000415712695 531518500 /nfs/dbraw/zinc/51/85/00/531518500.db2.gz VSQWFSZCYFDQLL-MRXNPFEDSA-N 1 0 384.274 1.581 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000415715548 531518672 /nfs/dbraw/zinc/51/86/72/531518672.db2.gz AXGBLVXTQAYAHS-QGZVFWFLSA-N 1 0 396.285 1.998 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415552196 531494006 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[NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)CCO1 ZINC000415603764 531501013 /nfs/dbraw/zinc/50/10/13/531501013.db2.gz UTKJYDLARGYWDW-NSHDSACASA-N 1 0 392.253 1.727 20 0 GDADRO O=S1(=O)CC[C@](O)(C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000294851462 531500992 /nfs/dbraw/zinc/50/09/92/531500992.db2.gz SBIYXURBMHLBLZ-HNNXBMFYSA-N 1 0 385.283 1.637 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000415598125 531501370 /nfs/dbraw/zinc/50/13/70/531501370.db2.gz OUSTWFJYZWTPFY-UHFFFAOYSA-N 1 0 399.232 1.574 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)CCO1 ZINC000415598249 531501609 /nfs/dbraw/zinc/50/16/09/531501609.db2.gz KJLBSYDELLVOER-NSHDSACASA-N 1 0 393.241 1.122 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CCO1 ZINC000415600475 531501636 /nfs/dbraw/zinc/50/16/36/531501636.db2.gz HSSRNGLQEUGQTA-VIFPVBQESA-N 1 0 381.738 1.363 20 0 GDADRO O=C(CN1CCN(C[C@@H]2COCCO2)CC1)Nc1ccc(Br)cc1 ZINC000581600058 531501974 /nfs/dbraw/zinc/50/19/74/531501974.db2.gz ZDFACPQEZDFFHN-MRXNPFEDSA-N 1 0 398.301 1.421 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000415610113 531503423 /nfs/dbraw/zinc/50/34/23/531503423.db2.gz WVKAKERVBJXQHZ-MRXNPFEDSA-N 1 0 382.258 1.608 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(F)c(Cl)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000556808987 531503612 /nfs/dbraw/zinc/50/36/12/531503612.db2.gz ZGEJSRIINKTNCT-HNNXBMFYSA-N 1 0 389.880 1.500 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCC[C@@H]1CCC[NH2+]1 ZINC000581607258 531503977 /nfs/dbraw/zinc/50/39/77/531503977.db2.gz QJHQEFTVDVNDMY-LBPRGKRZSA-N 1 0 375.441 1.282 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415622043 531504331 /nfs/dbraw/zinc/50/43/31/531504331.db2.gz XCTGNKLKYPHMES-ABAIWWIYSA-N 1 0 397.317 1.563 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1nnc(SCc2ccccc2)s1 ZINC000556948180 531504624 /nfs/dbraw/zinc/50/46/24/531504624.db2.gz BPLWMCBMXIAOCI-ZDUSSCGKSA-N 1 0 379.511 2.330 20 0 GDADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000294887868 531505006 /nfs/dbraw/zinc/50/50/06/531505006.db2.gz WCMCKEFGPOGWCS-GXTWGEPZSA-N 1 0 378.263 1.715 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415627415 531506576 /nfs/dbraw/zinc/50/65/76/531506576.db2.gz XNLJJWFBQIDBCC-LLVKDONJSA-N 1 0 398.257 1.433 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000581656225 531506668 /nfs/dbraw/zinc/50/66/68/531506668.db2.gz FDUARFSAEYOJLP-IUODEOHRSA-N 1 0 386.905 1.012 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000415628915 531506942 /nfs/dbraw/zinc/50/69/42/531506942.db2.gz HADNKVCCNSNYNC-PHIMTYICSA-N 1 0 385.873 1.035 20 0 GDADRO CC[NH+](CC)CCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000635735887 531507320 /nfs/dbraw/zinc/50/73/20/531507320.db2.gz HCYBXFUAIZBAFE-MRXNPFEDSA-N 1 0 375.579 1.322 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000415657394 531508315 /nfs/dbraw/zinc/50/83/15/531508315.db2.gz UQGFTNZEJAGFEX-ZJUUUORDSA-N 1 0 392.257 1.717 20 0 GDADRO CNC(=O)CCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280539726 531508836 /nfs/dbraw/zinc/50/88/36/531508836.db2.gz HWZHTWYMDBZXFC-SECBINFHSA-N 1 0 378.292 1.273 20 0 GDADRO C[NH+](C)CCCC1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 ZINC000635754713 531508827 /nfs/dbraw/zinc/50/88/27/531508827.db2.gz ZIACIHNIIUNOKS-UONOGXRCSA-N 1 0 384.464 1.790 20 0 GDADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415730872 531521894 /nfs/dbraw/zinc/52/18/94/531521894.db2.gz WFBGVSXAVGFZPC-ZDUSSCGKSA-N 1 0 382.917 1.507 20 0 GDADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N(CC[NH3+])CCO ZINC000415731426 531522356 /nfs/dbraw/zinc/52/23/56/531522356.db2.gz VOIVCUCBBNKANQ-UHFFFAOYSA-N 1 0 390.234 1.029 20 0 GDADRO CN(C(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1)C1C[NH2+]C1 ZINC000415744380 531523843 /nfs/dbraw/zinc/52/38/43/531523843.db2.gz OOQDITZZPKQCRX-UHFFFAOYSA-N 1 0 378.230 1.004 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415745325 531523961 /nfs/dbraw/zinc/52/39/61/531523961.db2.gz RQNMEHIIFYXFJS-GXTWGEPZSA-N 1 0 381.274 1.595 20 0 GDADRO CC[N@H+](CCNC(=O)N1CCC(CS(C)(=O)=O)CC1)CCC(F)(F)F ZINC000490256132 531524064 /nfs/dbraw/zinc/52/40/64/531524064.db2.gz RWBIGZUQUZRNFW-UHFFFAOYSA-N 1 0 387.468 1.727 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)CCC[NH3+] ZINC000415761901 531525167 /nfs/dbraw/zinc/52/51/67/531525167.db2.gz ODXUDSMWDOMRCV-VIFPVBQESA-N 1 0 386.246 1.418 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415760654 531525841 /nfs/dbraw/zinc/52/58/41/531525841.db2.gz MHBODENQLNIQBD-LLVKDONJSA-N 1 0 394.273 1.817 20 0 GDADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415755413 531525847 /nfs/dbraw/zinc/52/58/47/531525847.db2.gz CCGJOXYCETZMIV-JYAVWHMHSA-N 1 0 380.901 1.166 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000582004090 531526458 /nfs/dbraw/zinc/52/64/58/531526458.db2.gz DTOXFNLPWGJEKD-JGVFFNPUSA-N 1 0 381.267 1.847 20 0 GDADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000280693541 531526878 /nfs/dbraw/zinc/52/68/78/531526878.db2.gz JOVOMEDJEDDOQU-UHFFFAOYSA-N 1 0 375.516 1.026 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000415771402 531526921 /nfs/dbraw/zinc/52/69/21/531526921.db2.gz ROKOLFVBSCIQEJ-MFKMUULPSA-N 1 0 382.258 1.607 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c1OC ZINC000551139166 531532632 /nfs/dbraw/zinc/53/26/32/531532632.db2.gz AKJZVBRPVNSAEN-NSHDSACASA-N 1 0 390.889 1.707 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000415782895 531529760 /nfs/dbraw/zinc/52/97/60/531529760.db2.gz HMYRIRRBFZJTFW-LBPRGKRZSA-N 1 0 399.289 1.078 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(C)cc(I)c1 ZINC000415787015 531529911 /nfs/dbraw/zinc/52/99/11/531529911.db2.gz OMXDLXSIEWPADS-SNVBAGLBSA-N 1 0 375.210 1.392 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)ccc1Br ZINC000415793635 531532746 /nfs/dbraw/zinc/53/27/46/531532746.db2.gz UOZMLSRKNZZKEC-UHFFFAOYSA-N 1 0 384.230 1.122 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)NCC1CC[NH2+]CC1 ZINC000582047214 531530691 /nfs/dbraw/zinc/53/06/91/531530691.db2.gz ZYTREDLTAHBSPR-UHFFFAOYSA-N 1 0 375.288 1.339 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415789163 531531205 /nfs/dbraw/zinc/53/12/05/531531205.db2.gz PECQTJMHOBQLLO-MRVPVSSYSA-N 1 0 395.628 1.737 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])ccc1Br ZINC000415791569 531531640 /nfs/dbraw/zinc/53/16/40/531531640.db2.gz SMHLSDJLSBBRAA-RKDXNWHRSA-N 1 0 386.246 1.335 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])c(I)c1 ZINC000415791583 531531691 /nfs/dbraw/zinc/53/16/91/531531691.db2.gz SMWSSJNUPIEUHA-HTQZYQBOSA-N 1 0 391.209 1.090 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])nn1-c1ccc(Cl)c(Cl)c1 ZINC000415793417 531531972 /nfs/dbraw/zinc/53/19/72/531531972.db2.gz UPCIJWXPPGLCFY-UWVGGRQHSA-N 1 0 384.267 2.278 20 0 GDADRO O=C(Nc1ccc(F)c(Br)c1F)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659081664 531537904 /nfs/dbraw/zinc/53/79/04/531537904.db2.gz HLQAICPXAOCFQQ-HNNXBMFYSA-N 1 0 388.212 1.878 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc(OC)c1Br ZINC000415829789 531539264 /nfs/dbraw/zinc/53/92/64/531539264.db2.gz CXHWUCKGHGTNBU-PSASIEDQSA-N 1 0 386.246 1.210 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1)C(F)(F)F ZINC000415834556 531539815 /nfs/dbraw/zinc/53/98/15/531539815.db2.gz KZECEHCZACLGKH-SECBINFHSA-N 1 0 386.143 1.923 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659083532 531539940 /nfs/dbraw/zinc/53/99/40/531539940.db2.gz ZOWCSGKLGBKXAW-UHFFFAOYSA-N 1 0 398.301 1.426 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415840640 531540166 /nfs/dbraw/zinc/54/01/66/531540166.db2.gz UTBKCYJOUUANDT-JTQLQIEISA-N 1 0 388.237 1.330 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1Br ZINC000415840446 531540384 /nfs/dbraw/zinc/54/03/84/531540384.db2.gz LVIPBUWJKFNNGF-QLJPJBMISA-N 1 0 384.274 1.840 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(Br)c1 ZINC000415838242 531540483 /nfs/dbraw/zinc/54/04/83/531540483.db2.gz HTHVACAFTFPNAE-QLJPJBMISA-N 1 0 384.274 1.840 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659109873 531542201 /nfs/dbraw/zinc/54/22/01/531542201.db2.gz PYDFTRQMSJSJHQ-GHMZBOCLSA-N 1 0 388.237 1.684 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000659104719 531542932 /nfs/dbraw/zinc/54/29/32/531542932.db2.gz PIPNTZVJGSDUAX-UHFFFAOYSA-N 1 0 389.253 1.804 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC[C@H]1F ZINC000659109421 531542968 /nfs/dbraw/zinc/54/29/68/531542968.db2.gz DXVJXUACEKKCRT-VXGBXAGGSA-N 1 0 395.232 1.834 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000415854724 531543397 /nfs/dbraw/zinc/54/33/97/531543397.db2.gz XEMJOSDGSHRPEP-WDEREUQCSA-N 1 0 387.889 1.125 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C[C@H]1[NH3+] ZINC000415850340 531543566 /nfs/dbraw/zinc/54/35/66/531543566.db2.gz XBICPHXJEMEQQD-BXKDBHETSA-N 1 0 377.242 1.741 20 0 GDADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415863473 531545227 /nfs/dbraw/zinc/54/52/27/531545227.db2.gz XNGFPHGAVGCCOV-NEPJUHHUSA-N 1 0 381.274 1.631 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280820748 531545363 /nfs/dbraw/zinc/54/53/63/531545363.db2.gz NIFQLANTJJKKCC-XNJGSVPQSA-N 1 0 383.286 1.695 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415857498 531545315 /nfs/dbraw/zinc/54/53/15/531545315.db2.gz CSYLDLODTNKKNS-SNVBAGLBSA-N 1 0 393.241 1.040 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000364225013 531547327 /nfs/dbraw/zinc/54/73/27/531547327.db2.gz FEBARXCDDTWFJX-QLFBSQMISA-N 1 0 378.535 1.814 20 0 GDADRO C[NH+]1CCC(n2ccc(NCc3ccc(S(N)(=O)=O)c(Cl)c3)n2)CC1 ZINC000582291405 531547943 /nfs/dbraw/zinc/54/79/43/531547943.db2.gz TUKRIRNNMLGDJX-UHFFFAOYSA-N 1 0 383.905 2.063 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000659485798 531548441 /nfs/dbraw/zinc/54/84/41/531548441.db2.gz CLVRRNIFHRJTOF-WKXXDYOBSA-N 1 0 393.285 1.606 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415873953 531548522 /nfs/dbraw/zinc/54/85/22/531548522.db2.gz VWLZPXGASAGDMX-DMDPSCGWSA-N 1 0 396.285 1.901 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000659496500 531548564 /nfs/dbraw/zinc/54/85/64/531548564.db2.gz VNZCDCQZPPRISW-VIFPVBQESA-N 1 0 383.301 1.179 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000415885401 531549402 /nfs/dbraw/zinc/54/94/02/531549402.db2.gz GYBFPNKMBVDUCF-UHFFFAOYSA-N 1 0 379.766 1.610 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000415887184 531550776 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CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(F)c(Br)cc1C(=O)OC ZINC000415795516 531533022 /nfs/dbraw/zinc/53/30/22/531533022.db2.gz XUBWKAYZQQRWHA-ZETCQYMHSA-N 1 0 390.209 1.167 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415793469 531533347 /nfs/dbraw/zinc/53/33/47/531533347.db2.gz UYCLNXWCTLANLL-UWVGGRQHSA-N 1 0 388.262 1.265 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)c(F)cc1C(=O)OC ZINC000415797910 531533369 /nfs/dbraw/zinc/53/33/69/531533369.db2.gz ZSYOVHXZWVMUQC-ZETCQYMHSA-N 1 0 390.209 1.167 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cccc(F)c1I ZINC000415809048 531534492 /nfs/dbraw/zinc/53/44/92/531534492.db2.gz OUOVTLZORCPGBF-BQBZGAKWSA-N 1 0 379.173 1.221 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658961033 531534681 /nfs/dbraw/zinc/53/46/81/531534681.db2.gz ZUQCFPYPERPCOD-UKRRQHHQSA-N 1 0 385.555 1.653 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NCC[NH+]2CCCC2)ccc1Br ZINC000611380933 531534705 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C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000268823278 531575292 /nfs/dbraw/zinc/57/52/92/531575292.db2.gz HQXXPTXQYXEXGZ-ZFWWWQNUSA-N 1 0 386.338 1.566 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC000451245275 531576069 /nfs/dbraw/zinc/57/60/69/531576069.db2.gz OWJNHLHZDYVQAR-UHFFFAOYSA-N 1 0 384.420 1.961 20 0 GDADRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281103120 531578899 /nfs/dbraw/zinc/57/88/99/531578899.db2.gz LFJOCDYFWVEASN-SECBINFHSA-N 1 0 392.319 1.519 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)NCC1(c2ccccc2Br)CC1 ZINC000636837622 531582547 /nfs/dbraw/zinc/58/25/47/531582547.db2.gz XYTFBXYWKYLNAN-CYBMUJFWSA-N 1 0 382.302 1.847 20 0 GDADRO C[NH+](C)C1CCC2(CC1)CCN(S(=O)(=O)CCCS(C)(=O)=O)CC2 ZINC000660008320 531582969 /nfs/dbraw/zinc/58/29/69/531582969.db2.gz WHNPWRLSSDDTOU-UHFFFAOYSA-N 1 0 380.576 1.337 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000636869379 531583993 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531602907 /nfs/dbraw/zinc/60/29/07/531602907.db2.gz JOHHOXHEKCUPLV-CJNGLKHVSA-N 1 0 387.571 1.975 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ccc(Br)c(C)c1 ZINC000281308774 531603627 /nfs/dbraw/zinc/60/36/27/531603627.db2.gz QHCRNWJULRNNCI-UHFFFAOYSA-N 1 0 398.345 1.980 20 0 GDADRO CN1CC[NH+](CC2(C)CCN(S(=O)(=O)CC3CC(F)(F)C3)CC2)CC1 ZINC000451391054 531605585 /nfs/dbraw/zinc/60/55/85/531605585.db2.gz BYPNEKDJXQOCMH-UHFFFAOYSA-N 1 0 379.517 1.711 20 0 GDADRO CN(CC(C)(C)O)C(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637118960 531606264 /nfs/dbraw/zinc/60/62/64/531606264.db2.gz PXRYWOJLHIPMIL-AWEZNQCLSA-N 1 0 390.311 1.942 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000584024516 531607363 /nfs/dbraw/zinc/60/73/63/531607363.db2.gz LXOIFHGYRGVIDY-LLVKDONJSA-N 1 0 389.905 1.527 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)C(=O)N1CCC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637121117 531607623 /nfs/dbraw/zinc/60/76/23/531607623.db2.gz NXMVROURXSULQS-WFASDCNBSA-N 1 0 388.295 1.696 20 0 GDADRO COC(=O)CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000364958460 531608847 /nfs/dbraw/zinc/60/88/47/531608847.db2.gz HKQNQIQNUVFTPQ-BZUAXINKSA-N 1 0 376.519 1.233 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1cc(F)c(F)cc1Br ZINC000637141164 531608832 /nfs/dbraw/zinc/60/88/32/531608832.db2.gz JGPUMOJJDOTEOQ-JTQLQIEISA-N 1 0 378.217 1.593 20 0 GDADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000584078524 531612167 /nfs/dbraw/zinc/61/21/67/531612167.db2.gz LMKTWXGXGQFTLR-UHFFFAOYSA-N 1 0 383.495 1.417 20 0 GDADRO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000584068731 531610801 /nfs/dbraw/zinc/61/08/01/531610801.db2.gz AKOGCWCHICUAFJ-GFCCVEGCSA-N 1 0 397.317 1.869 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000269144581 531615484 /nfs/dbraw/zinc/61/54/84/531615484.db2.gz YDFZAPGWQAFSPG-ZDUSSCGKSA-N 1 0 375.288 1.184 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000281419460 531615818 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COC[C@@H]([NH3+])Cc1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641121041 531780083 /nfs/dbraw/zinc/78/00/83/531780083.db2.gz QCSJFPBEIWSEIA-LBPRGKRZSA-N 1 0 397.273 1.766 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CCO1 ZINC000667398558 531780262 /nfs/dbraw/zinc/78/02/62/531780262.db2.gz SSXZOQQZPXRNER-HQJQHLMTSA-N 1 0 392.200 1.240 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000592340932 531780571 /nfs/dbraw/zinc/78/05/71/531780571.db2.gz ZZVRBZYZUPGVIH-YPMHNXCESA-N 1 0 389.237 1.588 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417595777 531782518 /nfs/dbraw/zinc/78/25/18/531782518.db2.gz YJYCZUXWGPBDKP-MRXNPFEDSA-N 1 0 381.318 1.947 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417416530 531767737 /nfs/dbraw/zinc/76/77/37/531767737.db2.gz BOVPFIJOOWYRDK-HNNXBMFYSA-N 1 0 397.317 1.962 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H]1SC ZINC000592174006 531768526 /nfs/dbraw/zinc/76/85/26/531768526.db2.gz HBWVFPZQPIBRCA-QOWREQOWSA-N 1 0 387.527 1.160 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)Cc2ccon2)CC1 ZINC000562634790 531768607 /nfs/dbraw/zinc/76/86/07/531768607.db2.gz RTNQERDAEBYNTI-UHFFFAOYSA-N 1 0 380.246 1.765 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)[C@@H]1SC ZINC000592168438 531768990 /nfs/dbraw/zinc/76/89/90/531768990.db2.gz IXVRXRDHSDETPB-HWMZRRJGSA-N 1 0 392.587 1.157 20 0 GDADRO C[C@H]1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000417431154 531769927 /nfs/dbraw/zinc/76/99/27/531769927.db2.gz KJQJSMIRCVDIHZ-GXTWGEPZSA-N 1 0 397.317 1.805 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H]1SC ZINC000592165908 531770213 /nfs/dbraw/zinc/77/02/13/531770213.db2.gz BKMLRUNFLWCSEI-QZKOUSHUSA-N 1 0 387.527 1.160 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417595776 531783073 /nfs/dbraw/zinc/78/30/73/531783073.db2.gz YJYCZUXWGPBDKP-INIZCTEOSA-N 1 0 381.318 1.947 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)CCOCC(F)(F)C(F)(F)F)CC1(C)C ZINC000508298269 531771674 /nfs/dbraw/zinc/77/16/74/531771674.db2.gz GNRMEJMACCDBTN-UHFFFAOYSA-N 1 0 375.382 1.733 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2cccc(Br)c2)nn1 ZINC000640880371 531772177 /nfs/dbraw/zinc/77/21/77/531772177.db2.gz JLUAOGRXPAYOEV-JQWIXIFHSA-N 1 0 382.262 1.757 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000622136649 531772328 /nfs/dbraw/zinc/77/23/28/531772328.db2.gz MGMGXRDWEVPAKD-CQSZACIVSA-N 1 0 397.317 1.955 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Br)c2c(c1)OCCO2 ZINC000452347573 531772333 /nfs/dbraw/zinc/77/23/33/531772333.db2.gz IWLRWLMKKYBKAL-ZDUSSCGKSA-N 1 0 399.285 1.797 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000641034120 531773398 /nfs/dbraw/zinc/77/33/98/531773398.db2.gz QLMQHNWBIVJDSX-DOMZBBRYSA-N 1 0 395.301 1.774 20 0 GDADRO O=C(COc1ccc(Br)cc1F)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452351552 531773455 /nfs/dbraw/zinc/77/34/55/531773455.db2.gz PXHPNNLMEOAOFF-ZDUSSCGKSA-N 1 0 389.265 1.930 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452348306 531773909 /nfs/dbraw/zinc/77/39/09/531773909.db2.gz KYZPJHLQMKXNSX-CYBMUJFWSA-N 1 0 388.295 1.686 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)Cc2ccc(F)cc2F)CC1 ZINC000562724023 531774579 /nfs/dbraw/zinc/77/45/79/531774579.db2.gz PQTFSBBJVWNVDQ-UHFFFAOYSA-N 1 0 375.485 1.800 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1COc2ccc(Br)cc21 ZINC000452376360 531774951 /nfs/dbraw/zinc/77/49/51/531774951.db2.gz KTGCACWNRJFBOK-DZGCQCFKSA-N 1 0 383.286 1.888 20 0 GDADRO Cc1c(Br)cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(=O)n1C ZINC000452371756 531775713 /nfs/dbraw/zinc/77/57/13/531775713.db2.gz IMJIYTNECXSSDI-GFCCVEGCSA-N 1 0 386.290 1.033 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417485201 531776696 /nfs/dbraw/zinc/77/66/96/531776696.db2.gz LGFZVZYCDGDVDR-GFCCVEGCSA-N 1 0 385.306 1.724 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N[C@@H]2CCC[NH2+]C2)s1 ZINC000417499590 531777914 /nfs/dbraw/zinc/77/79/14/531777914.db2.gz FLWMXYZAIMUBNH-CYBMUJFWSA-N 1 0 388.559 1.372 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)CCC[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000562760262 531778681 /nfs/dbraw/zinc/77/86/81/531778681.db2.gz NHFNNJRPNPHLLG-UHFFFAOYSA-N 1 0 384.267 2.233 20 0 GDADRO O=C(CC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)Nc1ccccc1Br ZINC000366794800 531778985 /nfs/dbraw/zinc/77/89/85/531778985.db2.gz HQZVUAOKTVTESN-KBPBESRZSA-N 1 0 382.258 1.367 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000668506955 531800866 /nfs/dbraw/zinc/80/08/66/531800866.db2.gz LWCHKBGXYSHBKH-CUOATXAZSA-N 1 0 380.279 1.921 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCCNC(=O)C2([NH+](C)C)CC2)c1 ZINC000668521274 531801426 /nfs/dbraw/zinc/80/14/26/531801426.db2.gz KTVOOYAZTGGDRV-UHFFFAOYSA-N 1 0 398.301 1.788 20 0 GDADRO O=S(=O)(N[C@H]1CCC[NH2+]CC1)c1cccc(I)c1 ZINC000592386844 531784596 /nfs/dbraw/zinc/78/45/96/531784596.db2.gz IBDGMFJXRFCDOF-NSHDSACASA-N 1 0 380.251 1.712 20 0 GDADRO O[C@@H](COc1cccc(Br)c1)Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000641195908 531784969 /nfs/dbraw/zinc/78/49/69/531784969.db2.gz KPBJQLNMAFNFGV-GXTWGEPZSA-N 1 0 381.274 1.948 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC[C@@H]([NH3+])[C@H]3C)C2)s1 ZINC000297374188 531786351 /nfs/dbraw/zinc/78/63/51/531786351.db2.gz MBDZCFFYXZQYSC-RBSFLKMASA-N 1 0 385.555 1.795 20 0 GDADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000510364612 531786735 /nfs/dbraw/zinc/78/67/35/531786735.db2.gz WXBBVWMRRIYMTQ-UHFFFAOYSA-N 1 0 384.395 1.974 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(C[C@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000641219975 531786849 /nfs/dbraw/zinc/78/68/49/531786849.db2.gz KQFAPDCKJNCGLB-OCCSQVGLSA-N 1 0 375.256 1.541 20 0 GDADRO O[C@H](COc1c(Cl)cccc1Cl)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641205659 531786941 /nfs/dbraw/zinc/78/69/41/531786941.db2.gz WEUSTNOMUFSWGE-ZDUSSCGKSA-N 1 0 386.283 1.430 20 0 GDADRO O[C@@H](COc1cc(F)cc(Br)c1)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000641230514 531788500 /nfs/dbraw/zinc/78/85/00/531788500.db2.gz ZPBCJRDKHMRRQD-CQSZACIVSA-N 1 0 385.237 1.872 20 0 GDADRO Cc1nc(CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)sc1C ZINC000417885542 531788663 /nfs/dbraw/zinc/78/86/63/531788663.db2.gz JGCDDEGBIWIGRO-LBPRGKRZSA-N 1 0 379.452 1.438 20 0 GDADRO O=C(NCc1nc(C2CC2)cs1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417892522 531788716 /nfs/dbraw/zinc/78/87/16/531788716.db2.gz DDDPPJFVAFEHAP-LBPRGKRZSA-N 1 0 377.436 1.656 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417901419 531789146 /nfs/dbraw/zinc/78/91/46/531789146.db2.gz NOHKGJMGZBWNPS-AAEUAGOBSA-N 1 0 387.297 1.722 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCC2(C)CC[NH2+]CC2)c(C)s1 ZINC000417906165 531789170 /nfs/dbraw/zinc/78/91/70/531789170.db2.gz BFGTWTCXMSNILB-UHFFFAOYSA-N 1 0 388.559 1.332 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1CCOc1cc(F)cc(Br)c1 ZINC000592488095 531790163 /nfs/dbraw/zinc/79/01/63/531790163.db2.gz IDWTYOFQWRQDPL-AWEZNQCLSA-N 1 0 375.238 1.804 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2c(F)cccc2I)CCO1 ZINC000592477003 531790679 /nfs/dbraw/zinc/79/06/79/531790679.db2.gz LWRLJORXKRPJSZ-KWQFWETISA-N 1 0 378.185 1.619 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000592491267 531790937 /nfs/dbraw/zinc/79/09/37/531790937.db2.gz IWMIFCHHPVDETE-IUODEOHRSA-N 1 0 398.301 1.463 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000511574307 531794578 /nfs/dbraw/zinc/79/45/78/531794578.db2.gz SPWRWZCJMZRXLE-VXGBXAGGSA-N 1 0 397.324 1.734 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(F)F ZINC000418000842 531795447 /nfs/dbraw/zinc/79/54/47/531795447.db2.gz KIJYIXQRVFUJAZ-VXGBXAGGSA-N 1 0 378.782 1.866 20 0 GDADRO CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)o1 ZINC000282795316 531796800 /nfs/dbraw/zinc/79/68/00/531796800.db2.gz GMRYVAOSKRNGAQ-ZDUSSCGKSA-N 1 0 385.873 1.874 20 0 GDADRO COCC[NH2+]CCNC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000418014998 531797225 /nfs/dbraw/zinc/79/72/25/531797225.db2.gz CZDOTZNVYSJGMP-UHFFFAOYSA-N 1 0 398.305 1.483 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N(C)C3CC([NH3+])C3)C2=O)ccc1Br ZINC000418017726 531797529 /nfs/dbraw/zinc/79/75/29/531797529.db2.gz SZPCUMPGWHRZRT-HGMXIMQMSA-N 1 0 395.301 1.994 20 0 GDADRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000563007901 531797552 /nfs/dbraw/zinc/79/75/52/531797552.db2.gz OCEVYHKKLRPSPN-BIMULSAOSA-N 1 0 376.222 1.869 20 0 GDADRO O=C1CC[C@@H]([NH+]2CCN(Cc3c(F)cncc3Br)CC2)CCN1 ZINC000668225195 531797547 /nfs/dbraw/zinc/79/75/47/531797547.db2.gz HLEFGSSPQPLFMS-GFCCVEGCSA-N 1 0 385.281 1.770 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)CC12CCOCC2 ZINC000623071474 531798478 /nfs/dbraw/zinc/79/84/78/531798478.db2.gz IKQKOZOZLTUVMD-LBPRGKRZSA-N 1 0 395.301 1.944 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418061108 531799275 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CC1(C)CN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC[NH2+]1 ZINC000418146341 531804695 /nfs/dbraw/zinc/80/46/95/531804695.db2.gz KIUVPGMNTRERAT-UHFFFAOYSA-N 1 0 388.921 1.402 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)C[C@H]2C(C)(C)C2(F)F)CC1 ZINC000641322134 531805259 /nfs/dbraw/zinc/80/52/59/531805259.db2.gz QOFXGJUEYFYCLZ-CABCVRRESA-N 1 0 379.517 1.709 20 0 GDADRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000418149165 531805591 /nfs/dbraw/zinc/80/55/91/531805591.db2.gz ATPGYSVSXXBPRZ-GWCFXTLKSA-N 1 0 392.884 1.136 20 0 GDADRO COc1nc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ncc1Br ZINC000367060114 531805794 /nfs/dbraw/zinc/80/57/94/531805794.db2.gz NMEGCUWLWABSSZ-OCCSQVGLSA-N 1 0 384.322 1.710 20 0 GDADRO CC[NH2+]CCNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000563105669 531806304 /nfs/dbraw/zinc/80/63/04/531806304.db2.gz IDOZXFGCDPVSOA-UHFFFAOYSA-N 1 0 377.304 1.729 20 0 GDADRO CS(=O)(=O)c1cc(CNC(=O)N[C@@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000418160948 531808131 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C[NH2+]C[C@H]1CCCN1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418164764 531811204 /nfs/dbraw/zinc/81/12/04/531811204.db2.gz XCXSJLQHNXCVAY-GFCCVEGCSA-N 1 0 392.884 1.151 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418173654 531811858 /nfs/dbraw/zinc/81/18/58/531811858.db2.gz ZAVCDRBCFMRECC-NSHDSACASA-N 1 0 397.328 1.554 20 0 GDADRO Cn1cc(C[C@H](CO)[NH2+]C[C@@H](O)COc2cccc(Br)c2)cn1 ZINC000563137552 531812021 /nfs/dbraw/zinc/81/20/21/531812021.db2.gz GOKRZQGCIDHZFJ-HUUCEWRRSA-N 1 0 384.274 1.116 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1cc(F)c(F)cc1Br ZINC000418173413 531812689 /nfs/dbraw/zinc/81/26/89/531812689.db2.gz BZXCONKMEVURHQ-SNVBAGLBSA-N 1 0 377.233 1.430 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N(CCO)Cc1cc(Br)cs1 ZINC000515810779 531813257 /nfs/dbraw/zinc/81/32/57/531813257.db2.gz DYYPFKCLTOCDRW-LBPRGKRZSA-N 1 0 392.319 1.393 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000563140841 531813298 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397.317 1.785 20 0 GDADRO C[C@H](c1ncc(Br)cn1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000563152461 531814681 /nfs/dbraw/zinc/81/46/81/531814681.db2.gz ADZRISPLDZCZQO-UMVBOHGHSA-N 1 0 396.333 1.880 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)C1 ZINC000418191224 531815965 /nfs/dbraw/zinc/81/59/65/531815965.db2.gz XSWPSENRUQJEPL-AWEZNQCLSA-N 1 0 388.921 1.320 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)NCC[NH2+]C1CC1 ZINC000669584312 531816197 /nfs/dbraw/zinc/81/61/97/531816197.db2.gz KFRYSEDZTJDKKH-UHFFFAOYSA-N 1 0 395.312 1.323 20 0 GDADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418233749 531816740 /nfs/dbraw/zinc/81/67/40/531816740.db2.gz PBHHTOILIFYXGG-ZIAGYGMSSA-N 1 0 385.917 1.755 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NC[C@H]1CCCC[NH2+]1 ZINC000669581550 531816727 /nfs/dbraw/zinc/81/67/27/531816727.db2.gz DQGXTCZVYPJMFG-GFCCVEGCSA-N 1 0 392.884 1.199 20 0 GDADRO C[C@@H](NC(=O)NCc1nn(C)cc1I)[C@H]1CCC[NH2+]C1 ZINC000418270555 531817576 /nfs/dbraw/zinc/81/75/76/531817576.db2.gz ZEECPSYTDQSGMJ-ZJUUUORDSA-N 1 0 391.257 1.212 20 0 GDADRO [NH3+]CCCNC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000418315943 531822096 /nfs/dbraw/zinc/82/20/96/531822096.db2.gz WDJWXUBEONGPRS-UHFFFAOYSA-N 1 0 399.289 1.031 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000453670827 531822476 /nfs/dbraw/zinc/82/24/76/531822476.db2.gz PFTOOGWOCFFLSJ-XPTSAGLGSA-N 1 0 381.274 1.690 20 0 GDADRO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000563267273 531824349 /nfs/dbraw/zinc/82/43/49/531824349.db2.gz DDULYIVLKIBWED-JTQLQIEISA-N 1 0 390.303 1.370 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br ZINC000418395407 531824445 /nfs/dbraw/zinc/82/44/45/531824445.db2.gz SODYZBHFHPIPNV-XHDPSFHLSA-N 1 0 388.306 1.988 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000593270812 531825797 /nfs/dbraw/zinc/82/57/97/531825797.db2.gz JHEAXZUGHRTSMA-INIZCTEOSA-N 1 0 398.349 1.664 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000418439881 531826656 /nfs/dbraw/zinc/82/66/56/531826656.db2.gz GKRXBRWWIWBPGW-HOCLYGCPSA-N 1 0 376.567 1.596 20 0 GDADRO COc1ncc(Br)c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)n1 ZINC000641468312 531828448 /nfs/dbraw/zinc/82/84/48/531828448.db2.gz PDUHLOPUPHHURY-TZMCWYRMSA-N 1 0 384.322 1.710 20 0 GDADRO COCC[NH2+]CCNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000418507769 531828629 /nfs/dbraw/zinc/82/86/29/531828629.db2.gz LLYUUNYESYLBBR-OAHLLOKOSA-N 1 0 386.290 1.768 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN1CCO[C@H](c2cccc(Br)c2)C1 ZINC000563356796 531829737 /nfs/dbraw/zinc/82/97/37/531829737.db2.gz RVZLTQFVJSOLFM-SJORKVTESA-N 1 0 387.318 1.762 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1Br ZINC000453916371 531832852 /nfs/dbraw/zinc/83/28/52/531832852.db2.gz LEBLIQDIEXPGGW-GXFFZTMASA-N 1 0 382.258 1.559 20 0 GDADRO COc1cc(CS(=O)(=O)N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)sn1 ZINC000641553854 531834966 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O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1COc2ccc(Br)cc21 ZINC000670406733 531830559 /nfs/dbraw/zinc/83/05/59/531830559.db2.gz BFYQJLQPUMSAEC-HIFRSBDPSA-N 1 0 380.286 1.431 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC(C(F)(F)F)CC1 ZINC000418613319 531831243 /nfs/dbraw/zinc/83/12/43/531831243.db2.gz JKUMYCNPZOQMBL-NSHDSACASA-N 1 0 376.345 1.806 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000418596211 531832204 /nfs/dbraw/zinc/83/22/04/531832204.db2.gz YFNLIWJEICESSN-SNVBAGLBSA-N 1 0 380.440 1.777 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418834066 531849878 /nfs/dbraw/zinc/84/98/78/531849878.db2.gz RBJQSOLGGYWQEX-HQRZJTNHSA-N 1 0 380.286 1.535 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000418841237 531851660 /nfs/dbraw/zinc/85/16/60/531851660.db2.gz GUOSSRFFFAFEBK-YVEFUNNKSA-N 1 0 382.302 1.694 20 0 GDADRO Brc1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)nc1 ZINC000641787985 531852948 /nfs/dbraw/zinc/85/29/48/531852948.db2.gz GUCOMRIRYVVEAD-KRWDZBQOSA-N 1 0 383.334 1.730 20 0 GDADRO CN1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C[NH3+])C1 ZINC000563571832 531853879 /nfs/dbraw/zinc/85/38/79/531853879.db2.gz HCAMYVRNKKHCLU-GOEBONIOSA-N 1 0 396.333 1.312 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000418849889 531854787 /nfs/dbraw/zinc/85/47/87/531854787.db2.gz BTESNFDHDWBEDG-ABAIWWIYSA-N 1 0 382.302 1.960 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000418784666 531840387 /nfs/dbraw/zinc/84/03/87/531840387.db2.gz PZEWILHOYRNAEM-IINYFYTJSA-N 1 0 384.274 1.270 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000418787391 531840958 /nfs/dbraw/zinc/84/09/58/531840958.db2.gz UIQRRFUAMWIGCK-LLVKDONJSA-N 1 0 398.301 1.660 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000624389967 531841379 /nfs/dbraw/zinc/84/13/79/531841379.db2.gz QTAIMWHUPFBFQE-JQWIXIFHSA-N 1 0 382.404 1.852 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000624405109 531842256 /nfs/dbraw/zinc/84/22/56/531842256.db2.gz BYWHAFFLKXYSQP-ZJUUUORDSA-N 1 0 393.303 1.885 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000624405173 531842294 /nfs/dbraw/zinc/84/22/94/531842294.db2.gz DZBURFYJLINHHM-DZGCQCFKSA-N 1 0 389.543 1.647 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(Cc3cn(-c4cccc(Cl)c4Cl)nn3)CCN2C1=O ZINC000563433659 531844062 /nfs/dbraw/zinc/84/40/62/531844062.db2.gz WKCJIFRTHODFDQ-DGCLKSJQSA-N 1 0 381.267 1.318 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000418811736 531844112 /nfs/dbraw/zinc/84/41/12/531844112.db2.gz QEYIXXGJIRJELE-ISVAXAHUSA-N 1 0 375.803 1.464 20 0 GDADRO C[C@@H]1CC[C@H](NS(=O)(=O)c2cc3c(cc2Br)OCCO3)C[NH2+]1 ZINC000624406767 531844466 /nfs/dbraw/zinc/84/44/66/531844466.db2.gz LFJLSGUDHPFVFE-ZJUUUORDSA-N 1 0 391.287 1.639 20 0 GDADRO CC(C)O[C@]1(CS(=O)(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)CCOC1 ZINC000641623141 531844962 /nfs/dbraw/zinc/84/49/62/531844962.db2.gz FLFWFUFIRXFVMJ-KZNAEPCWSA-N 1 0 376.563 1.953 20 0 GDADRO C[C@H]1CC[C@H](NS(=O)(=O)c2cc3c(cc2Br)OCCO3)C[NH2+]1 ZINC000624406765 531845227 /nfs/dbraw/zinc/84/52/27/531845227.db2.gz LFJLSGUDHPFVFE-UWVGGRQHSA-N 1 0 391.287 1.639 20 0 GDADRO CC(C)O[C@]1(CS(=O)(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)CCOC1 ZINC000641623143 531845337 /nfs/dbraw/zinc/84/53/37/531845337.db2.gz FLFWFUFIRXFVMJ-RCCFBDPRSA-N 1 0 376.563 1.953 20 0 GDADRO CSCC[C@@H](C)[N@H+](C)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000298043915 531846305 /nfs/dbraw/zinc/84/63/05/531846305.db2.gz DCKGOVNQSQEMHZ-CQSZACIVSA-N 1 0 387.571 1.456 20 0 GDADRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1c(F)cc(F)cc1Br ZINC000563487861 531846948 /nfs/dbraw/zinc/84/69/48/531846948.db2.gz UJVLXRDBCPNENA-UHFFFAOYSA-N 1 0 377.189 1.281 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418830215 531848253 /nfs/dbraw/zinc/84/82/53/531848253.db2.gz FOIPIVSNFLGVKC-SECBINFHSA-N 1 0 380.247 1.662 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000642982595 531866422 /nfs/dbraw/zinc/86/64/22/531866422.db2.gz YDTKNFMKGDCWOI-ZDUSSCGKSA-N 1 0 398.301 1.674 20 0 GDADRO CS(=O)(=O)c1cccc(Br)c1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000643040627 531866661 /nfs/dbraw/zinc/86/66/61/531866661.db2.gz CPVBAIDQEYXKDP-GFCCVEGCSA-N 1 0 388.331 1.337 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418935124 531866762 /nfs/dbraw/zinc/86/67/62/531866762.db2.gz GJYPKJKUPZFYSU-CYBMUJFWSA-N 1 0 384.274 1.202 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1I ZINC000595122367 531866904 /nfs/dbraw/zinc/86/69/04/531866904.db2.gz XHIUXBVUIYGSBZ-UHFFFAOYSA-N 1 0 392.262 1.630 20 0 GDADRO NS(=O)(=O)c1cc(F)c(N2CC[C@H]3CC[NH2+][C@@H]3C2)c(Br)c1 ZINC000643031253 531867166 /nfs/dbraw/zinc/86/71/66/531867166.db2.gz LGEQCLYCENSFGL-PRHODGIISA-N 1 0 378.267 1.424 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1)C1CC1 ZINC000418937235 531867261 /nfs/dbraw/zinc/86/72/61/531867261.db2.gz NWXFXENMBFPMBO-HNNXBMFYSA-N 1 0 394.313 1.841 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc1Cl ZINC000563957705 531867687 /nfs/dbraw/zinc/86/76/87/531867687.db2.gz MUURQJHEPHUQBQ-WDEREUQCSA-N 1 0 378.878 1.484 20 0 GDADRO O=C(CNC(=O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1ccccc1Br ZINC000643068836 531868438 /nfs/dbraw/zinc/86/84/38/531868438.db2.gz LVZANNNWQZOBQH-SWLSCSKDSA-N 1 0 395.301 1.188 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563595351 531856801 /nfs/dbraw/zinc/85/68/01/531856801.db2.gz AYLPLUQOHLTOIZ-UHFFFAOYSA-N 1 0 375.292 1.084 20 0 GDADRO CN1CCN(C(=O)N[C@H]2CSc3ccc(Br)cc32)[C@H](C[NH3+])C1 ZINC000563592607 531857029 /nfs/dbraw/zinc/85/70/29/531857029.db2.gz BWEMNPONARMSEA-YPMHNXCESA-N 1 0 385.331 1.880 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CCC1 ZINC000418862278 531857719 /nfs/dbraw/zinc/85/77/19/531857719.db2.gz HRYMCDXEKNXBET-LBPRGKRZSA-N 1 0 395.301 1.142 20 0 GDADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642327530 531858841 /nfs/dbraw/zinc/85/88/41/531858841.db2.gz KNOHIHFMVAHUJP-WDMOLILDSA-N 1 0 394.269 1.067 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000418868491 531858865 /nfs/dbraw/zinc/85/88/65/531858865.db2.gz PYQCXZKEDVSTTI-QWHCGFSZSA-N 1 0 385.295 1.638 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418868509 531859151 /nfs/dbraw/zinc/85/91/51/531859151.db2.gz PZOPJFSOWBAERQ-YPMHNXCESA-N 1 0 387.311 1.932 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418942992 531869124 /nfs/dbraw/zinc/86/91/24/531869124.db2.gz XYVYKCXXLVQKLG-CYBMUJFWSA-N 1 0 394.313 1.807 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418872889 531860413 /nfs/dbraw/zinc/86/04/13/531860413.db2.gz WUNMVCYSZWZZAV-CYBMUJFWSA-N 1 0 387.311 1.756 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CCO1 ZINC000642407985 531860776 /nfs/dbraw/zinc/86/07/76/531860776.db2.gz DJTMCRIKARPHQB-CABZTGNLSA-N 1 0 382.873 1.141 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000563673209 531861003 /nfs/dbraw/zinc/86/10/03/531861003.db2.gz IBAANKIZIZTRSB-AWEZNQCLSA-N 1 0 389.543 1.138 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642712765 531861642 /nfs/dbraw/zinc/86/16/42/531861642.db2.gz BYOZDEYUPMWODY-CQSZACIVSA-N 1 0 382.302 1.940 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCO1 ZINC000642692628 531861974 /nfs/dbraw/zinc/86/19/74/531861974.db2.gz GYZPRQHKHHRGNX-ZLKJLUDKSA-N 1 0 383.901 1.568 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642687311 531862375 /nfs/dbraw/zinc/86/23/75/531862375.db2.gz GMAXFWLEXNRLRH-ZDUSSCGKSA-N 1 0 384.274 1.332 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCc1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000283426181 531862931 /nfs/dbraw/zinc/86/29/31/531862931.db2.gz ATPUDYAWLHOYFB-ZDUSSCGKSA-N 1 0 394.313 1.874 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000642756888 531863337 /nfs/dbraw/zinc/86/33/37/531863337.db2.gz TZLYVCLYVHDWGI-LBPRGKRZSA-N 1 0 398.301 1.077 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000418931466 531864591 /nfs/dbraw/zinc/86/45/91/531864591.db2.gz FXEFYZFRYIQRQF-UHFFFAOYSA-N 1 0 394.313 1.937 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(Cc2cn(-c3ccccc3Br)nn2)[C@H](C)C1 ZINC000563847185 531864874 /nfs/dbraw/zinc/86/48/74/531864874.db2.gz MJTPXPGGGQEAOP-KGLIPLIRSA-N 1 0 394.317 1.917 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418927912 531864994 /nfs/dbraw/zinc/86/49/94/531864994.db2.gz XTTVTUGNETUWGY-QMTHXVAHSA-N 1 0 386.265 1.361 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418928860 531865218 /nfs/dbraw/zinc/86/52/18/531865218.db2.gz ZWIIQUQPWLDYDM-MNOVXSKESA-N 1 0 386.265 1.443 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418948123 531870513 /nfs/dbraw/zinc/87/05/13/531870513.db2.gz MTTCPONLMIXJNM-ZDUSSCGKSA-N 1 0 386.290 1.578 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1cccc(Br)c1Cl ZINC000564967169 531870589 /nfs/dbraw/zinc/87/05/89/531870589.db2.gz STRUXYKWARDCMI-VIFPVBQESA-N 1 0 382.711 1.284 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000595243734 531871643 /nfs/dbraw/zinc/87/16/43/531871643.db2.gz HDBBPRBQDPLTPP-ZETCQYMHSA-N 1 0 395.628 1.607 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418955123 531871945 /nfs/dbraw/zinc/87/19/45/531871945.db2.gz UJZFAIJHQZKBRP-FZMZJTMJSA-N 1 0 384.274 1.188 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418972212 531873933 /nfs/dbraw/zinc/87/39/33/531873933.db2.gz YNKICZLTHLWXEO-SKDRFNHKSA-N 1 0 387.267 1.068 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418972357 531874241 /nfs/dbraw/zinc/87/42/41/531874241.db2.gz NLZOMMSPKMIHGS-JTQLQIEISA-N 1 0 394.273 1.057 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000298301613 531874269 /nfs/dbraw/zinc/87/42/69/531874269.db2.gz LGLVPFGBXIWZRC-HNNXBMFYSA-N 1 0 381.523 1.754 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12)C1CC1 ZINC000418976564 531875819 /nfs/dbraw/zinc/87/58/19/531875819.db2.gz UYQPNMNPOMJDBT-AWEZNQCLSA-N 1 0 383.279 1.987 20 0 GDADRO N[C@@H](C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000566066203 531876846 /nfs/dbraw/zinc/87/68/46/531876846.db2.gz GSIZQOKHFQOICZ-AWEZNQCLSA-N 1 0 378.826 1.858 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)Nc1ccccc1Br ZINC000298337615 531877992 /nfs/dbraw/zinc/87/79/92/531877992.db2.gz BHMKYXPNMJJKCD-INIZCTEOSA-N 1 0 395.257 1.452 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000419002521 531879165 /nfs/dbraw/zinc/87/91/65/531879165.db2.gz BRNGMPARYZQNEO-SUNKGSAMSA-N 1 0 398.301 1.749 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000419007356 531879248 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O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419026029 531882667 /nfs/dbraw/zinc/88/26/67/531882667.db2.gz SXMIXYTZXPHGTP-SMDDNHRTSA-N 1 0 396.285 1.505 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000419023685 531883224 /nfs/dbraw/zinc/88/32/24/531883224.db2.gz OZTFUUSMPKLUAZ-MPKXVKKWSA-N 1 0 396.285 1.646 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419026534 531883255 /nfs/dbraw/zinc/88/32/55/531883255.db2.gz ULYKYOUAQVATTL-CHWSQXEVSA-N 1 0 382.302 1.707 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000419033468 531884104 /nfs/dbraw/zinc/88/41/04/531884104.db2.gz CKILLLOLOUTGIP-QIMFLAQGSA-N 1 0 396.285 1.775 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)c(F)c3)C[C@@H]21 ZINC000419034200 531884165 /nfs/dbraw/zinc/88/41/65/531884165.db2.gz DIBXQIUSCHMMQE-TYNCELHUSA-N 1 0 398.276 1.790 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000643392132 531869664 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382.258 1.979 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000419053084 531892904 /nfs/dbraw/zinc/89/29/04/531892904.db2.gz IUWPUZYRPYZJDM-SKDRFNHKSA-N 1 0 387.267 1.068 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419054935 531893719 /nfs/dbraw/zinc/89/37/19/531893719.db2.gz NDDCJZBSMVCRBL-MNOVXSKESA-N 1 0 386.265 1.456 20 0 GDADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000595931899 531894207 /nfs/dbraw/zinc/89/42/07/531894207.db2.gz HZJWWTSTGTWKIO-GMSGAONNSA-N 1 0 382.148 1.872 20 0 GDADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC000625378958 531894639 /nfs/dbraw/zinc/89/46/39/531894639.db2.gz SJENUSWXLBJNOO-JSGCOSHPSA-N 1 0 388.452 1.110 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419058242 531894945 /nfs/dbraw/zinc/89/49/45/531894945.db2.gz VYXGHPAECCILDW-ZIAGYGMSSA-N 1 0 382.302 1.707 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707813 531895400 /nfs/dbraw/zinc/89/54/00/531895400.db2.gz DTHZAWGPZGSULO-QWHCGFSZSA-N 1 0 383.290 1.191 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000419065837 531896199 /nfs/dbraw/zinc/89/61/99/531896199.db2.gz JBASWLQFLCOBTF-DOMZBBRYSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419060325 531896539 /nfs/dbraw/zinc/89/65/39/531896539.db2.gz ZBYAMQFAQZWBBT-MWLCHTKSSA-N 1 0 388.693 1.914 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707811 531896822 /nfs/dbraw/zinc/89/68/22/531896822.db2.gz DTHZAWGPZGSULO-CHWSQXEVSA-N 1 0 383.290 1.191 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000647732536 531897175 /nfs/dbraw/zinc/89/71/75/531897175.db2.gz LZLUSPABZJXZBN-SECBINFHSA-N 1 0 399.822 1.444 20 0 GDADRO O=C(Nc1ccc(Br)cc1F)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000368153560 531897311 /nfs/dbraw/zinc/89/73/11/531897311.db2.gz UBRAYDFYUJPFHI-SECBINFHSA-N 1 0 381.205 1.924 20 0 GDADRO CC1(C)OCC(CO)([NH2+]CCC(=O)Nc2ccccc2Br)CO1 ZINC000298523521 531897809 /nfs/dbraw/zinc/89/78/09/531897809.db2.gz LREZYCFOTOAUAX-UHFFFAOYSA-N 1 0 387.274 1.881 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)s2)cs1 ZINC000419084314 531898888 /nfs/dbraw/zinc/89/88/88/531898888.db2.gz SYHLDQPVYYYAFN-ZWNOBZJWSA-N 1 0 378.523 1.644 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419081248 531899194 /nfs/dbraw/zinc/89/91/94/531899194.db2.gz RLKOWBFXDWFCBG-DOMZBBRYSA-N 1 0 394.313 1.711 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419081249 531899306 /nfs/dbraw/zinc/89/93/06/531899306.db2.gz RLKOWBFXDWFCBG-IUODEOHRSA-N 1 0 394.313 1.711 20 0 GDADRO CC(C)(CO)[NH+]1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000673897146 531886091 /nfs/dbraw/zinc/88/60/91/531886091.db2.gz NZGQGMJUONNDKW-HNNXBMFYSA-N 1 0 387.318 1.577 20 0 GDADRO CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C1CC1)c1nc(C(F)(F)F)cs1 ZINC000419039036 531886311 /nfs/dbraw/zinc/88/63/11/531886311.db2.gz GTOQZEPDLWAHPY-SNVBAGLBSA-N 1 0 378.420 1.988 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000566456815 531886549 /nfs/dbraw/zinc/88/65/49/531886549.db2.gz YAVKCMHIRCGHFQ-LLVKDONJSA-N 1 0 394.324 1.730 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419041061 531886849 /nfs/dbraw/zinc/88/68/49/531886849.db2.gz NDRLQQATIVXTOP-LLVKDONJSA-N 1 0 386.265 1.710 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000646023311 531887153 /nfs/dbraw/zinc/88/71/53/531887153.db2.gz RDCLRPURZOCIBA-INIZCTEOSA-N 1 0 381.274 1.854 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000419041514 531887232 /nfs/dbraw/zinc/88/72/32/531887232.db2.gz KICFGQLFXRRYQY-UHFFFAOYSA-N 1 0 375.803 1.944 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000419040876 531887613 /nfs/dbraw/zinc/88/76/13/531887613.db2.gz JIPUHVSYIKSTJC-GUBZILKMSA-N 1 0 378.420 1.925 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000646022345 531888190 /nfs/dbraw/zinc/88/81/90/531888190.db2.gz VAOGHCYNOOHPGB-INIZCTEOSA-N 1 0 389.905 1.240 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017928 531888279 /nfs/dbraw/zinc/88/82/79/531888279.db2.gz SWRKQTMHMVOHQM-CQSZACIVSA-N 1 0 384.420 1.880 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)c(F)c3)C[C@@H]12 ZINC000419044210 531888559 /nfs/dbraw/zinc/88/85/59/531888559.db2.gz SRVOXYIJKNPAOZ-JTNHKYCSSA-N 1 0 384.249 1.400 20 0 GDADRO CN(C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21)C1CC[NH2+]CC1 ZINC000419045703 531890197 /nfs/dbraw/zinc/89/01/97/531890197.db2.gz WZLBPPCYJQDLCS-AWEZNQCLSA-N 1 0 396.285 1.599 20 0 GDADRO CS[C@@H]1CN(C(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)C[C@H]1[NH+](C)C ZINC000270537796 531890227 /nfs/dbraw/zinc/89/02/27/531890227.db2.gz WSVCUYQXKWFFOP-YNEHKIRRSA-N 1 0 386.543 1.547 20 0 GDADRO O=C(CCN1C(=S)N=NC1c1cccs1)NCC[NH+]1CCC(O)CC1 ZINC000298470048 531891030 /nfs/dbraw/zinc/89/10/30/531891030.db2.gz RDVAGVZOQXQKKG-UHFFFAOYSA-N 1 0 381.527 1.258 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)C[C@H](C)[NH2+]1 ZINC000419141843 531905006 /nfs/dbraw/zinc/90/50/06/531905006.db2.gz XPJFVFKZWRFDJR-UWVGGRQHSA-N 1 0 388.693 1.928 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)s1 ZINC000283861318 531905176 /nfs/dbraw/zinc/90/51/76/531905176.db2.gz CEJUSJNRFJTSFG-VIFPVBQESA-N 1 0 385.540 1.357 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419159379 531905541 /nfs/dbraw/zinc/90/55/41/531905541.db2.gz XKGIYGLAAKCXHA-NSHDSACASA-N 1 0 386.290 1.360 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)c1ccc(Br)cc1 ZINC000419152500 531905942 /nfs/dbraw/zinc/90/59/42/531905942.db2.gz OHFYKCSBDGLCAN-COPLHBTASA-N 1 0 398.301 1.856 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCc2cn[nH]n2)C1 ZINC000647967417 531906674 /nfs/dbraw/zinc/90/66/74/531906674.db2.gz FGFNNJXMLBIQAJ-LLVKDONJSA-N 1 0 379.262 1.855 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1Br ZINC000419161835 531907148 /nfs/dbraw/zinc/90/71/48/531907148.db2.gz FIEYVRXUJRKWSJ-SMDDNHRTSA-N 1 0 382.302 1.817 20 0 GDADRO CC1(OCC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C[NH2+]C1 ZINC000647954748 531907285 /nfs/dbraw/zinc/90/72/85/531907285.db2.gz WLMBMAXYAULYJM-UHFFFAOYSA-N 1 0 386.279 1.656 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)c1cccs1 ZINC000298644282 531908002 /nfs/dbraw/zinc/90/80/02/531908002.db2.gz JUSBBMZSWKRFGF-KBPBESRZSA-N 1 0 388.559 1.464 20 0 GDADRO O=C(COc1ccc(I)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368375695 531908060 /nfs/dbraw/zinc/90/80/60/531908060.db2.gz KDACPIVIKADFAX-ZDUSSCGKSA-N 1 0 386.233 1.928 20 0 GDADRO O=C(c1ccc(I)cc1Cl)N1CCOC2(C[NH2+]C2)C1 ZINC000596098356 531908473 /nfs/dbraw/zinc/90/84/73/531908473.db2.gz LIDFQWZZOSDTAB-UHFFFAOYSA-N 1 0 392.624 1.759 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000419171364 531908538 /nfs/dbraw/zinc/90/85/38/531908538.db2.gz XNDRDBXXKXRYGS-IAQYHMDHSA-N 1 0 388.295 1.822 20 0 GDADRO Fc1ccc(I)c(F)c1CN1CCOC2(C[NH2+]C2)C1 ZINC000596105237 531908603 /nfs/dbraw/zinc/90/86/03/531908603.db2.gz HYSZBFZGUDYUDW-UHFFFAOYSA-N 1 0 380.176 1.744 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419171796 531908779 /nfs/dbraw/zinc/90/87/79/531908779.db2.gz YGIRDEPPXQPWOP-CQSZACIVSA-N 1 0 388.295 1.885 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2cc(Br)ccc2C)[C@H](C[NH3+])C1 ZINC000419167998 531909029 /nfs/dbraw/zinc/90/90/29/531909029.db2.gz RFRPEHJWHXJGLX-LSDHHAIUSA-N 1 0 398.301 1.338 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000568505920 531909972 /nfs/dbraw/zinc/90/99/72/531909972.db2.gz FZANIFZOZQLWRZ-LBPRGKRZSA-N 1 0 396.264 1.904 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cc(Br)cs1 ZINC000283933066 531910145 /nfs/dbraw/zinc/91/01/45/531910145.db2.gz NHQBBGHYERGBCQ-NOZJJQNGSA-N 1 0 386.315 1.726 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)cc2)[C@H]1C[NH3+] ZINC000419185984 531910339 /nfs/dbraw/zinc/91/03/39/531910339.db2.gz HUXWCVUEKSXJMS-WFASDCNBSA-N 1 0 382.302 1.694 20 0 GDADRO CCCN(C(=O)C(=O)NCCc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000419201017 531911423 /nfs/dbraw/zinc/91/14/23/531911423.db2.gz FHACSMDGMSTHJX-CQSZACIVSA-N 1 0 382.302 1.708 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccccc1Br ZINC000419199902 531912089 /nfs/dbraw/zinc/91/20/89/531912089.db2.gz DCWXBFCGLORDNW-WFASDCNBSA-N 1 0 382.302 1.836 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000419196558 531912237 /nfs/dbraw/zinc/91/22/37/531912237.db2.gz ZOHJEOZVYPFCNI-AWEZNQCLSA-N 1 0 395.301 1.094 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCCc1ccc(Br)s1)[N@H+](C)C1CC1 ZINC000283955200 531913916 /nfs/dbraw/zinc/91/39/16/531913916.db2.gz NNUYPHQWSWDCNB-JTQLQIEISA-N 1 0 388.331 1.768 20 0 GDADRO Cc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)s1 ZINC000283839011 531902464 /nfs/dbraw/zinc/90/24/64/531902464.db2.gz ALRYYIQEADVNAT-SJKOYZFVSA-N 1 0 384.571 1.833 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCc1ccc(Br)cc1Cl ZINC000419136545 531903168 /nfs/dbraw/zinc/90/31/68/531903168.db2.gz PIFLSSCFVCQJHO-JTQLQIEISA-N 1 0 388.693 1.835 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2Br)C1 ZINC000283843661 531903532 /nfs/dbraw/zinc/90/35/32/531903532.db2.gz SZQWKMZYWNKLCO-ZDUSSCGKSA-N 1 0 382.302 1.866 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000368312409 531903659 /nfs/dbraw/zinc/90/36/59/531903659.db2.gz LZMOFKYVMJNYMP-FZMZJTMJSA-N 1 0 388.331 1.888 20 0 GDADRO CSc1cc(C)ccc1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000283842847 531904092 /nfs/dbraw/zinc/90/40/92/531904092.db2.gz AOUOJEKBAXLMKN-SFHVURJKSA-N 1 0 381.567 1.887 20 0 GDADRO COCc1cc(C(=O)OC)cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000596052104 531904583 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C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419254040 531918493 /nfs/dbraw/zinc/91/84/93/531918493.db2.gz UVRQXHXQYUFLAT-OASPWFOLSA-N 1 0 398.326 1.826 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000419264504 531919148 /nfs/dbraw/zinc/91/91/48/531919148.db2.gz XUCOYENTJAGQFQ-STQMWFEESA-N 1 0 381.420 1.019 20 0 GDADRO CS[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)C[C@@H]1[NH+](C)C ZINC000270764476 531919515 /nfs/dbraw/zinc/91/95/15/531919515.db2.gz PMJUACBUDQQWMU-ONGXEEELSA-N 1 0 390.303 1.276 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000419258003 531919539 /nfs/dbraw/zinc/91/95/39/531919539.db2.gz JGKWBVJDXGROTH-AAEUAGOBSA-N 1 0 384.274 1.201 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000419264503 531919618 /nfs/dbraw/zinc/91/96/18/531919618.db2.gz XUCOYENTJAGQFQ-QWHCGFSZSA-N 1 0 381.420 1.019 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419262522 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396.289 1.146 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)s1 ZINC000271108755 531967932 /nfs/dbraw/zinc/96/79/32/531967932.db2.gz PGYNLTSESKUISB-BXKDBHETSA-N 1 0 394.540 1.209 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419775570 531968080 /nfs/dbraw/zinc/96/80/80/531968080.db2.gz JNFFKXFRKCOTKJ-UTUOFQBUSA-N 1 0 398.301 1.844 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419803203 531971506 /nfs/dbraw/zinc/97/15/06/531971506.db2.gz CBWXSKOEIJONCW-GFCCVEGCSA-N 1 0 382.302 1.707 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000299250933 531971870 /nfs/dbraw/zinc/97/18/70/531971870.db2.gz DMQYHLRRTSFPDR-GFCCVEGCSA-N 1 0 389.905 1.089 20 0 GDADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000299259838 531972208 /nfs/dbraw/zinc/97/22/08/531972208.db2.gz XHLPSXCCZZMZBK-UHFFFAOYSA-N 1 0 379.511 1.844 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419811152 531972644 /nfs/dbraw/zinc/97/26/44/531972644.db2.gz HIFPAVKAORMXNC-JSGCOSHPSA-N 1 0 382.302 1.612 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C[C@H]1[NH+](C)C ZINC000271141596 531973009 /nfs/dbraw/zinc/97/30/09/531973009.db2.gz YDYZISYXBQINRK-KGLIPLIRSA-N 1 0 387.502 1.377 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)CC[NH2+]1 ZINC000419814817 531973757 /nfs/dbraw/zinc/97/37/57/531973757.db2.gz KIZAGJHLUWVUNZ-GFCCVEGCSA-N 1 0 382.302 1.663 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419819523 531974342 /nfs/dbraw/zinc/97/43/42/531974342.db2.gz LZDVDXRBFRFZQU-SNPRPXQTSA-N 1 0 394.313 1.564 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(I)c2)CC1 ZINC000419822577 531974361 /nfs/dbraw/zinc/97/43/61/531974361.db2.gz WTCRSSHXKGMZBP-UHFFFAOYSA-N 1 0 387.221 1.440 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419841604 531976838 /nfs/dbraw/zinc/97/68/38/531976838.db2.gz GKFKQXAYXAMFIX-UHFFFAOYSA-N 1 0 386.265 1.805 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000299293811 531976960 /nfs/dbraw/zinc/97/69/60/531976960.db2.gz QMVDWGSMPUOXOS-GDBMZVCRSA-N 1 0 385.555 1.297 20 0 GDADRO [NH3+]C[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)C1CC1 ZINC000573247857 531977669 /nfs/dbraw/zinc/97/76/69/531977669.db2.gz QQMAODGGNAHNLE-JKSUJKDBSA-N 1 0 385.917 1.601 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000419998001 531993766 /nfs/dbraw/zinc/99/37/66/531993766.db2.gz MHGIJLKNWNADQP-JSGCOSHPSA-N 1 0 383.290 1.607 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000419993758 531994563 /nfs/dbraw/zinc/99/45/63/531994563.db2.gz MILWLCMLZFBAMW-XUJVJEKNSA-N 1 0 398.301 1.591 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000419878493 531980646 /nfs/dbraw/zinc/98/06/46/531980646.db2.gz JEJDYDFLQJKDOP-CABCVRRESA-N 1 0 395.301 1.330 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000419880020 531980947 /nfs/dbraw/zinc/98/09/47/531980947.db2.gz UBBXFGRKVGOMMO-CQSZACIVSA-N 1 0 384.274 1.075 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419878162 531981203 /nfs/dbraw/zinc/98/12/03/531981203.db2.gz YOIHPFCCSPAKFI-MEBBXXQBSA-N 1 0 380.286 1.748 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000419888126 531981818 /nfs/dbraw/zinc/98/18/18/531981818.db2.gz FLRFMCRICGOADT-CYBMUJFWSA-N 1 0 398.276 1.947 20 0 GDADRO C[C@@]([NH3+])(C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1 ZINC000573367240 531982086 /nfs/dbraw/zinc/98/20/86/531982086.db2.gz NYOGZNMGECSVPY-GTNSWQLSSA-N 1 0 380.286 1.750 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000419904146 531983381 /nfs/dbraw/zinc/98/33/81/531983381.db2.gz XEPCKFXBOHDHRX-LSDHHAIUSA-N 1 0 396.285 1.217 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000419906275 531983518 /nfs/dbraw/zinc/98/35/18/531983518.db2.gz WPUVJKXBDDOPCX-OCCSQVGLSA-N 1 0 382.302 1.912 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000419913151 531985392 /nfs/dbraw/zinc/98/53/92/531985392.db2.gz YHOOWASZWCIMAU-AWEZNQCLSA-N 1 0 383.290 1.623 20 0 GDADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419928443 531987140 /nfs/dbraw/zinc/98/71/40/531987140.db2.gz YAYDIANLZSFTLV-CYBMUJFWSA-N 1 0 394.313 1.881 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N(C)Cc1cc(Br)ccc1OC ZINC000573549425 531987123 /nfs/dbraw/zinc/98/71/23/531987123.db2.gz DYIAWOLEDYMBKO-UHFFFAOYSA-N 1 0 386.290 1.532 20 0 GDADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000419924979 531987153 /nfs/dbraw/zinc/98/71/53/531987153.db2.gz SDAGCPQTHXKUDH-ZDUSSCGKSA-N 1 0 392.297 1.791 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000419931189 531987662 /nfs/dbraw/zinc/98/76/62/531987662.db2.gz CZKJXVUGWBSJJT-SECBINFHSA-N 1 0 375.313 1.588 20 0 GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419943068 531988657 /nfs/dbraw/zinc/98/86/57/531988657.db2.gz PHACTOSAAUKSSX-AAEUAGOBSA-N 1 0 382.302 1.823 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419964851 531990856 /nfs/dbraw/zinc/99/08/56/531990856.db2.gz XORMQSSYUBGIQJ-GFCCVEGCSA-N 1 0 382.302 1.866 20 0 GDADRO COCCN(Cc1ccc(Br)s1)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419960086 531991535 /nfs/dbraw/zinc/99/15/35/531991535.db2.gz RWUSALIMSXVSBF-JTQLQIEISA-N 1 0 392.319 1.197 20 0 GDADRO COCCN(Cc1sccc1Br)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420005185 531995597 /nfs/dbraw/zinc/99/55/97/531995597.db2.gz PAVYHOMMBDJVLT-SNVBAGLBSA-N 1 0 392.319 1.339 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000420005769 531996035 /nfs/dbraw/zinc/99/60/35/531996035.db2.gz PUQFIVOJCJNHCU-NSHDSACASA-N 1 0 376.284 1.558 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000284845052 531996984 /nfs/dbraw/zinc/99/69/84/531996984.db2.gz NZROCDPGNHHPMM-AXAPSJFSSA-N 1 0 395.305 1.719 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000420020675 531997560 /nfs/dbraw/zinc/99/75/60/531997560.db2.gz GDTMVOGHEKVPBQ-MJVIPROJSA-N 1 0 384.274 1.201 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420045001 531999736 /nfs/dbraw/zinc/99/97/36/531999736.db2.gz QKVAWTBGSAUGLY-IINYFYTJSA-N 1 0 386.265 1.790 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000370674841 532000377 /nfs/dbraw/zinc/00/03/77/532000377.db2.gz YUTSMHHXRUMUIE-KGLIPLIRSA-N 1 0 388.917 1.985 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)c1nccn2c(Br)cnc12 ZINC000271310835 532001129 /nfs/dbraw/zinc/00/11/29/532001129.db2.gz WQDPSEJLVGNDQA-UHFFFAOYSA-N 1 0 382.262 1.334 20 0 GDADRO Cc1nc(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)sc1Br ZINC000458933239 532001169 /nfs/dbraw/zinc/00/11/69/532001169.db2.gz RPMXATYHFUHRCF-LLVKDONJSA-N 1 0 391.335 1.860 20 0 GDADRO Cc1nc(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)sc1Br ZINC000458917445 532001504 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GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420133729 532005870 /nfs/dbraw/zinc/00/58/70/532005870.db2.gz CWEGLHNEFHLRIR-ABAIWWIYSA-N 1 0 382.302 1.830 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCn3cc(Br)ccc3=O)C2)C1 ZINC000574959699 532006211 /nfs/dbraw/zinc/00/62/11/532006211.db2.gz PAWLZFXVFLTREL-INIZCTEOSA-N 1 0 383.290 1.348 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599103737 532006716 /nfs/dbraw/zinc/00/67/16/532006716.db2.gz KJKFEMWAPGZLRK-KOLCDFICSA-N 1 0 380.388 1.911 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)c1F ZINC000599097003 532005168 /nfs/dbraw/zinc/00/51/68/532005168.db2.gz AIHNGAXKVFKMIU-HWPZZCPQSA-N 1 0 376.425 1.937 20 0 GDADRO Cc1ccc(NC(=O)CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(Br)c1 ZINC000574981759 532007193 /nfs/dbraw/zinc/00/71/93/532007193.db2.gz ITZNFMZEPLOLBV-DZGCQCFKSA-N 1 0 392.301 1.856 20 0 GDADRO COc1ncc(NC(=O)C(=O)NCCC[NH+]2CCCC2)c(C)c1Br ZINC000657513709 532007561 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C[C@H]([NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C1CCC1 ZINC000271683046 532039818 /nfs/dbraw/zinc/03/98/18/532039818.db2.gz JRKFDYRHEWPBDK-ZDUSSCGKSA-N 1 0 390.527 1.569 20 0 GDADRO CC[C@H](CS(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1)OC ZINC000420710045 532044113 /nfs/dbraw/zinc/04/41/13/532044113.db2.gz MHYWDYQDTCRAKF-IAGOWNOFSA-N 1 0 378.579 1.935 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)S(C)(=O)=O ZINC000578431352 532049346 /nfs/dbraw/zinc/04/93/46/532049346.db2.gz JHXCBJDXEUBZSE-LSDHHAIUSA-N 1 0 388.555 1.630 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)CC1 ZINC000634124632 532051832 /nfs/dbraw/zinc/05/18/32/532051832.db2.gz LXIGEOPPFCJYKG-UHFFFAOYSA-N 1 0 379.935 1.995 20 0 GDADRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)CCCN1CCOCC1 ZINC000463416011 532052522 /nfs/dbraw/zinc/05/25/22/532052522.db2.gz KUEZOLGULVIHRO-UHFFFAOYSA-N 1 0 375.579 1.482 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N(C)CCOCC[NH3+] ZINC000600735360 532052962 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1.169 20 0 GDADRO Cn1ncc(Br)c1C[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000285372546 532074162 /nfs/dbraw/zinc/07/41/62/532074162.db2.gz CEKJJPXPVGGODO-UHFFFAOYSA-N 1 0 377.242 1.959 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000423204137 532074602 /nfs/dbraw/zinc/07/46/02/532074602.db2.gz NRIJOUBQLQPHFH-LSDHHAIUSA-N 1 0 396.285 1.169 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423230956 532074659 /nfs/dbraw/zinc/07/46/59/532074659.db2.gz ADPMRIPDGOYQNS-IYBDPMFKSA-N 1 0 394.313 1.803 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)[C@H](C)C[NH2+]1 ZINC000423647994 532078200 /nfs/dbraw/zinc/07/82/00/532078200.db2.gz IKPDPYUJZUIVFV-CHWSQXEVSA-N 1 0 382.302 1.659 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423488151 532075908 /nfs/dbraw/zinc/07/59/08/532075908.db2.gz VXKINLRUNQTBHA-NWDGAFQWSA-N 1 0 396.285 1.081 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423506783 532076498 /nfs/dbraw/zinc/07/64/98/532076498.db2.gz MHXGMFDEJBZNNA-QGZVFWFLSA-N 1 0 398.276 1.759 20 0 GDADRO C[S@@](=O)C1(C(=O)N2CCc3c(Br)cccc3C2)CC[NH2+]CC1 ZINC000602449742 532077266 /nfs/dbraw/zinc/07/72/66/532077266.db2.gz RMYOUMKOZIADHY-JOCHJYFZSA-N 1 0 385.327 1.835 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000602513362 532078804 /nfs/dbraw/zinc/07/88/04/532078804.db2.gz CHLWDDYKMQLZQC-MNOVXSKESA-N 1 0 380.613 1.677 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000423728965 532079527 /nfs/dbraw/zinc/07/95/27/532079527.db2.gz WLTGFRUKSXMEDH-XPTSAGLGSA-N 1 0 392.258 1.838 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3[C@@H]4c5cccc(Br)c5C[C@H]34)CCN2C1=O ZINC000602529833 532079620 /nfs/dbraw/zinc/07/96/20/532079620.db2.gz VJUWURFWERSREP-FPPFXLFASA-N 1 0 390.281 1.105 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](C)C1 ZINC000581400225 532080018 /nfs/dbraw/zinc/08/00/18/532080018.db2.gz CHPVZVYAGSIJLN-NSHDSACASA-N 1 0 394.324 1.824 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000327260539 532081623 /nfs/dbraw/zinc/08/16/23/532081623.db2.gz DDIWAVFUOVJUFY-HNNXBMFYSA-N 1 0 390.502 1.448 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000272198943 532083908 /nfs/dbraw/zinc/08/39/08/532083908.db2.gz PACCYHBJRQZJND-SNVBAGLBSA-N 1 0 391.896 1.929 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)C1 ZINC000272187934 532083209 /nfs/dbraw/zinc/08/32/09/532083209.db2.gz DZERFIOCMWDURA-QWRGUYRKSA-N 1 0 382.258 1.370 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)C2)CC1 ZINC000272213281 532085436 /nfs/dbraw/zinc/08/54/36/532085436.db2.gz MCAOPOHYJBENIC-GFCCVEGCSA-N 1 0 393.340 1.789 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1c(Cl)ccnc1Cl ZINC000272240262 532087050 /nfs/dbraw/zinc/08/70/50/532087050.db2.gz QRPZATSNNYTBDN-LLVKDONJSA-N 1 0 382.313 1.904 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1)S(C)(=O)=O ZINC000285565415 532094708 /nfs/dbraw/zinc/09/47/08/532094708.db2.gz JVPGVJULIXSPPK-GDBMZVCRSA-N 1 0 390.933 1.683 20 0 GDADRO CN(C)C(=O)COc1ccccc1C[NH2+]CCn1cc(Br)cn1 ZINC000285579462 532096002 /nfs/dbraw/zinc/09/60/02/532096002.db2.gz UYFBWFFBRDQZEE-UHFFFAOYSA-N 1 0 381.274 1.902 20 0 GDADRO C[C@H]1CN(C(=O)CCNC(=O)c2cc(F)ccc2Br)[C@@H](C)C[NH2+]1 ZINC000272502688 532102233 /nfs/dbraw/zinc/10/22/33/532102233.db2.gz DWZKTHUFCIRJNY-QWRGUYRKSA-N 1 0 386.265 1.917 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000272574155 532105802 /nfs/dbraw/zinc/10/58/02/532105802.db2.gz UHQYYVURLHGUIN-AWEZNQCLSA-N 1 0 388.555 1.749 20 0 GDADRO COC(=O)[C@@H](CNC(=O)/C=C/C[NH+](C)C)Oc1ccc(Br)cc1 ZINC000285730848 532109106 /nfs/dbraw/zinc/10/91/06/532109106.db2.gz GNEPGEDDGJDNCZ-ISZGNANSSA-N 1 0 385.258 1.604 20 0 GDADRO CN1CCO[C@@H]2CN([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@H]21 ZINC000329902394 532110239 /nfs/dbraw/zinc/11/02/39/532110239.db2.gz HOVFJPKACPIKTA-RBSFLKMASA-N 1 0 394.269 1.096 20 0 GDADRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000285637316 532100791 /nfs/dbraw/zinc/10/07/91/532100791.db2.gz ODKKUZGFNHAECY-HOTGVXAUSA-N 1 0 390.933 1.573 20 0 GDADRO C[C@@H](CC(N)=O)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425099381 532119052 /nfs/dbraw/zinc/11/90/52/532119052.db2.gz PEZUDVWFHFRCQM-NSHDSACASA-N 1 0 385.306 1.897 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1COCCO1 ZINC000425098281 532119356 /nfs/dbraw/zinc/11/93/56/532119356.db2.gz KGCOCBUPMLVYNQ-OAHLLOKOSA-N 1 0 386.290 1.801 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285904373 532119856 /nfs/dbraw/zinc/11/98/56/532119856.db2.gz SYLVHNCLXKFLMV-ZIAGYGMSSA-N 1 0 384.274 1.706 20 0 GDADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(Br)c4c(c3)OCCO4)[C@@H]2C1 ZINC000285783112 532112685 /nfs/dbraw/zinc/11/26/85/532112685.db2.gz NBTGQWAMENMJJV-KGLIPLIRSA-N 1 0 397.269 1.765 20 0 GDADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc4c(c(Br)c3)OCO4)[C@@H]2C1 ZINC000285792381 532113508 /nfs/dbraw/zinc/11/35/08/532113508.db2.gz NPUNXSDEDHKIRD-OLZOCXBDSA-N 1 0 383.242 1.723 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1Br ZINC000374183998 532113582 /nfs/dbraw/zinc/11/35/82/532113582.db2.gz RCHLLBQGWLKVMP-LLVKDONJSA-N 1 0 390.303 1.828 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cc(Br)ccc1OC ZINC000285818384 532115056 /nfs/dbraw/zinc/11/50/56/532115056.db2.gz XNLGAGLLRUEIHC-AWEZNQCLSA-N 1 0 398.301 1.674 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(S(N)(=O)=O)CC1)c1ccsc1 ZINC000374539028 532127498 /nfs/dbraw/zinc/12/74/98/532127498.db2.gz UQBMUKYZQRSBDZ-OAHLLOKOSA-N 1 0 388.559 1.594 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1sccc1Br ZINC000286040806 532128237 /nfs/dbraw/zinc/12/82/37/532128237.db2.gz WNIVNFJFEYJFFM-UHFFFAOYSA-N 1 0 376.320 1.927 20 0 GDADRO C[C@]1(CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)CCC[NH2+]C1 ZINC000273000151 532128684 /nfs/dbraw/zinc/12/86/84/532128684.db2.gz MTWFHEPTDSDITE-AWEZNQCLSA-N 1 0 390.303 1.216 20 0 GDADRO O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NC[C@H]1CC[NH2+]C1 ZINC000273022475 532129119 /nfs/dbraw/zinc/12/91/19/532129119.db2.gz LCPNPSHSWWEHPL-LBPRGKRZSA-N 1 0 375.288 1.090 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)C[C@@H]21 ZINC000374612193 532129891 /nfs/dbraw/zinc/12/98/91/532129891.db2.gz OCFXMERCEIGYJP-GARJFASQSA-N 1 0 377.919 1.266 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000286116923 532132459 /nfs/dbraw/zinc/13/24/59/532132459.db2.gz TYNGLYDAMMMCDH-UHFFFAOYSA-N 1 0 386.290 1.102 20 0 GDADRO COc1cc2[nH+]ccc(NCCCCS(N)(=O)=O)c2cc1Br ZINC000425270053 532133570 /nfs/dbraw/zinc/13/35/70/532133570.db2.gz SJNXCJYHPGFCFC-UHFFFAOYSA-N 1 0 388.287 1.908 20 0 GDADRO CC(C)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC[N@@H+]1C ZINC000331108166 532137265 /nfs/dbraw/zinc/13/72/65/532137265.db2.gz ARKUPERLMOGTKW-OAHLLOKOSA-N 1 0 387.933 1.807 20 0 GDADRO CC[C@@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Cl)s1 ZINC000273469780 532151595 /nfs/dbraw/zinc/15/15/95/532151595.db2.gz FRDXLOHGPTZWSG-SNVBAGLBSA-N 1 0 381.889 1.890 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000286473582 532153042 /nfs/dbraw/zinc/15/30/42/532153042.db2.gz BUVIZYXQRAFJGX-UHFFFAOYSA-N 1 0 393.868 1.428 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000375214492 532153738 /nfs/dbraw/zinc/15/37/38/532153738.db2.gz HZOSMWSEYUDTRI-CABCVRRESA-N 1 0 396.285 1.158 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000375214494 532153949 /nfs/dbraw/zinc/15/39/49/532153949.db2.gz HZOSMWSEYUDTRI-HUUCEWRRSA-N 1 0 396.285 1.158 20 0 GDADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)C1(C)C ZINC000425447442 532140187 /nfs/dbraw/zinc/14/01/87/532140187.db2.gz QOGXKMRXMQJXAA-BBRMVZONSA-N 1 0 376.544 1.654 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(Cn4cc(Br)cn4)on3)[C@H]2C1 ZINC000374877560 532140380 /nfs/dbraw/zinc/14/03/80/532140380.db2.gz FGZZSWVYNKRELZ-NHYWBVRUSA-N 1 0 394.273 1.848 20 0 GDADRO COCC(C)(C)[NH+]1CCN(C(=O)NCCn2cc(Br)cn2)CC1 ZINC000425532231 532141680 /nfs/dbraw/zinc/14/16/80/532141680.db2.gz ISKULWOZVPKVPB-UHFFFAOYSA-N 1 0 388.310 1.398 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000331529699 532148015 /nfs/dbraw/zinc/14/80/15/532148015.db2.gz LKFOJONTUGKISB-FZMZJTMJSA-N 1 0 384.249 1.811 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Cl ZINC000273411817 532149571 /nfs/dbraw/zinc/14/95/71/532149571.db2.gz MYGPEMWGNWRGOR-OUCADQQQSA-N 1 0 387.889 1.331 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)C1 ZINC000331549664 532149659 /nfs/dbraw/zinc/14/96/59/532149659.db2.gz DPGAFRFZOSMFID-YMTOWFKASA-N 1 0 390.242 1.592 20 0 GDADRO COc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)sc1S(N)(=O)=O ZINC000332123430 532165440 /nfs/dbraw/zinc/16/54/40/532165440.db2.gz ZOHIRHOJXRDSRB-UHFFFAOYSA-N 1 0 387.527 1.352 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000332152658 532167024 /nfs/dbraw/zinc/16/70/24/532167024.db2.gz LUYIYRVVKOYGOQ-CMPLNLGQSA-N 1 0 398.276 1.669 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)C[C@@H]1[NH+](C)C ZINC000332183373 532169128 /nfs/dbraw/zinc/16/91/28/532169128.db2.gz VZCUSPRCMFYFRD-HOTGVXAUSA-N 1 0 384.502 1.678 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000426455039 532169143 /nfs/dbraw/zinc/16/91/43/532169143.db2.gz SGAYYJZGYHNNKS-YOEHRIQHSA-N 1 0 397.317 1.394 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000332038467 532160996 /nfs/dbraw/zinc/16/09/96/532160996.db2.gz KBBSWSOTYVCATN-SMDDNHRTSA-N 1 0 381.274 1.644 20 0 GDADRO CC(=O)N1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000332038955 532161246 /nfs/dbraw/zinc/16/12/46/532161246.db2.gz TYLLLGBTGNALFN-OAHLLOKOSA-N 1 0 389.265 1.882 20 0 GDADRO Cn1ncc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1Br ZINC000273639345 532161754 /nfs/dbraw/zinc/16/17/54/532161754.db2.gz RXACYDKFXNKGRW-CQSZACIVSA-N 1 0 393.285 1.679 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000332066841 532162458 /nfs/dbraw/zinc/16/24/58/532162458.db2.gz SHHZXCPUFVKNMN-RYUDHWBXSA-N 1 0 384.249 1.863 20 0 GDADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000332323280 532180768 /nfs/dbraw/zinc/18/07/68/532180768.db2.gz NXWLNMZSFDGQNO-STQMWFEESA-N 1 0 388.331 1.973 20 0 GDADRO CNS(=O)(=O)CCC[N@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000426793215 532171596 /nfs/dbraw/zinc/17/15/96/532171596.db2.gz MKOMMLHJYGDRNQ-CQSZACIVSA-N 1 0 389.543 1.159 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccncc3I)C[C@@H]21 ZINC000332228458 532172431 /nfs/dbraw/zinc/17/24/31/532172431.db2.gz ZXKQFLXZYSELBU-JBLDHEPKSA-N 1 0 386.237 1.699 20 0 GDADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332272858 532176433 /nfs/dbraw/zinc/17/64/33/532176433.db2.gz GRBCSQXGGBXQHN-BDAKNGLRSA-N 1 0 388.212 1.734 20 0 GDADRO 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CN1CCC([N@@H+]2CC[C@@H](Nc3c4ccccc4nnc3-c3nn[nH]n3)C2)CC1 ZINC000736852107 598969446 /nfs/dbraw/zinc/96/94/46/598969446.db2.gz NLRRFHOJZPOCJF-CYBMUJFWSA-N 1 0 379.472 1.390 20 0 GDADRO COc1ccc([C@@H](CO)[N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC000737076271 598988942 /nfs/dbraw/zinc/98/89/42/598988942.db2.gz PQGZDQLKIDMIMW-QGZVFWFLSA-N 1 0 399.451 1.928 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000737223559 598999021 /nfs/dbraw/zinc/99/90/21/598999021.db2.gz IOOBEAGIXVJEDY-ZIAGYGMSSA-N 1 0 392.529 1.821 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000736531539 599003040 /nfs/dbraw/zinc/00/30/40/599003040.db2.gz YRBBQNRVKOWNOS-UHFFFAOYSA-N 1 0 396.517 1.154 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000737221772 599004060 /nfs/dbraw/zinc/00/40/60/599004060.db2.gz QYAOEBBGBVYTCF-MRXNPFEDSA-N 1 0 390.513 1.814 20 0 GDADRO OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738395633 599011497 /nfs/dbraw/zinc/01/14/97/599011497.db2.gz XQPGLRUBZKMINK-VQTJNVASSA-N 1 0 378.480 1.839 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000736617485 599017137 /nfs/dbraw/zinc/01/71/37/599017137.db2.gz YLRJBRLIVKKPEA-CRAIPNDOSA-N 1 0 386.500 1.662 20 0 GDADRO COc1cccc([C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)nc2)[NH+]2CCCC2)c1 ZINC000737127649 599019758 /nfs/dbraw/zinc/01/97/58/599019758.db2.gz QMZBIAOFHWIEES-GOSISDBHSA-N 1 0 393.451 1.837 20 0 GDADRO C[NH+](C)Cc1cc(CNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000736771731 599032973 /nfs/dbraw/zinc/03/29/73/599032973.db2.gz PBXUGHPYTDBELA-UHFFFAOYSA-N 1 0 383.431 1.796 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000737739831 599071256 /nfs/dbraw/zinc/07/12/56/599071256.db2.gz KUERXRIAVYTOOM-LNLFQRSKSA-N 1 0 389.463 1.461 20 0 GDADRO NC(=O)[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737214 599090236 /nfs/dbraw/zinc/09/02/36/599090236.db2.gz PHSBUFUMJBZZHV-GOSISDBHSA-N 1 0 388.435 1.411 20 0 GDADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735484114 599097250 /nfs/dbraw/zinc/09/72/50/599097250.db2.gz HLTWIRBSRMBLHL-QGZVFWFLSA-N 1 0 379.424 1.184 20 0 GDADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736225814 599101953 /nfs/dbraw/zinc/10/19/53/599101953.db2.gz DVJJMZVULVSLHA-PWSUYJOCSA-N 1 0 391.863 1.400 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736292963 599102447 /nfs/dbraw/zinc/10/24/47/599102447.db2.gz SBGJTLNYGCUMAL-IINYFYTJSA-N 1 0 391.863 1.257 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)C2 ZINC000738427548 599103286 /nfs/dbraw/zinc/10/32/86/599103286.db2.gz XEKWKWJNUCKCSH-KDOFPFPSSA-N 1 0 394.483 1.862 20 0 GDADRO C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1nnc2ccccn21 ZINC000736136849 599104547 /nfs/dbraw/zinc/10/45/47/599104547.db2.gz UGSKKZONYDXVEW-JTQLQIEISA-N 1 0 383.441 1.650 20 0 GDADRO CC1CC[NH+](C[C@@H]2CCCN([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736277485 599133302 /nfs/dbraw/zinc/13/33/02/599133302.db2.gz XGMORSSTUMMXFW-LPHOPBHVSA-N 1 0 397.527 1.837 20 0 GDADRO C[C@@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736114019 599146767 /nfs/dbraw/zinc/14/67/67/599146767.db2.gz UIJZOWQMKLXJFL-QAPCUYQASA-N 1 0 398.515 1.349 20 0 GDADRO O=C(CC1CCOCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737818908 599229298 /nfs/dbraw/zinc/22/92/98/599229298.db2.gz FZGAHTMJUTUTED-UHFFFAOYSA-N 1 0 384.484 1.718 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cccc1-c1nn[nH]n1 ZINC000822053527 607272322 /nfs/dbraw/zinc/27/23/22/607272322.db2.gz OFKWOHSHZRIFRV-QGZVFWFLSA-N 1 0 393.451 1.533 20 0 GDADRO Cc1c(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cccc1-c1nn[nH]n1 ZINC000822053052 607272378 /nfs/dbraw/zinc/27/23/78/607272378.db2.gz JSNBTXQQBAXDEB-UHFFFAOYSA-N 1 0 385.472 1.494 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cccc1-c1nn[nH]n1 ZINC000822045711 607276730 /nfs/dbraw/zinc/27/67/30/607276730.db2.gz RZGQLZCCDYXNTR-HNNXBMFYSA-N 1 0 387.488 1.596 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822054163 607274607 /nfs/dbraw/zinc/27/46/07/607274607.db2.gz VIZZIZUQGZKFQT-RBZFPXEDSA-N 1 0 399.499 1.740 20 0 GDADRO C[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)CC1 ZINC000821622090 607302882 /nfs/dbraw/zinc/30/28/82/607302882.db2.gz RQAUPRNYFGGLES-UHFFFAOYSA-N 1 0 375.383 1.944 20 0 GDADRO CC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736569388 599287183 /nfs/dbraw/zinc/28/71/83/599287183.db2.gz HKCGRNVKGAHPNX-LLVKDONJSA-N 1 0 377.880 1.921 20 0 GDADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000820528786 607324067 /nfs/dbraw/zinc/32/40/67/607324067.db2.gz OKSACXUECUOHLI-BBRMVZONSA-N 1 0 386.456 1.004 20 0 GDADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC000820057109 607333044 /nfs/dbraw/zinc/33/30/44/607333044.db2.gz WPDGIBXPRHRDAK-LBPRGKRZSA-N 1 0 377.424 1.037 20 0 GDADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736852941 598269214 /nfs/dbraw/zinc/26/92/14/598269214.db2.gz SWTUYWSQVVBVOP-UHFFFAOYSA-N 1 0 386.504 1.034 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000738356229 598269401 /nfs/dbraw/zinc/26/94/01/598269401.db2.gz ZITGMAOWWXXHBJ-UHFFFAOYSA-N 1 0 391.501 1.148 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCNc2ncccc2-c2nn[nH]n2)C1 ZINC000735883245 598270336 /nfs/dbraw/zinc/27/03/36/598270336.db2.gz XIIHMFMLLIPTKC-CQSZACIVSA-N 1 0 387.492 1.093 20 0 GDADRO C[C@@H](CNC(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1)[N@H+](C)C1CC1 ZINC000736016851 598270776 /nfs/dbraw/zinc/27/07/76/598270776.db2.gz DXMJEFGBPDYVCC-HNNXBMFYSA-N 1 0 398.515 1.571 20 0 GDADRO Cc1ccc([C@H](C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)N2CCCC2)o1 ZINC000737320335 598275168 /nfs/dbraw/zinc/27/51/68/598275168.db2.gz OHMKZUMAIOUEDZ-INIZCTEOSA-N 1 0 393.455 1.738 20 0 GDADRO C[C@H](C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736237081 598284817 /nfs/dbraw/zinc/28/48/17/598284817.db2.gz OPLNOZIIFBAGBK-QLFBSQMISA-N 1 0 384.488 1.172 20 0 GDADRO C[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)C[NH+]1CCCCC1 ZINC000736018893 598325359 /nfs/dbraw/zinc/32/53/59/598325359.db2.gz XIPDFFDFCRORBU-CYBMUJFWSA-N 1 0 375.452 1.927 20 0 GDADRO CN(c1cccnn1)C1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736842900 598340456 /nfs/dbraw/zinc/34/04/56/598340456.db2.gz GZDABIFFNUFJBW-UHFFFAOYSA-N 1 0 380.456 1.636 20 0 GDADRO Cc1nc(CN2CCC[C@@H]([N@H+](C)CCOc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC000737479002 598367163 /nfs/dbraw/zinc/36/71/63/598367163.db2.gz YUYVRVOIVBNUGB-MRXNPFEDSA-N 1 0 398.471 1.533 20 0 GDADRO COC(=O)CC[C@@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1ccccc1 ZINC000736912651 598369651 /nfs/dbraw/zinc/36/96/51/598369651.db2.gz SUAUBKIQNAJGCA-MRXNPFEDSA-N 1 0 392.423 1.694 20 0 GDADRO Fc1ccc(N2CC[C@H]([NH2+]Cc3cnc4c(-c5nn[nH]n5)cnn4c3)C2)c(F)c1 ZINC000737658020 598389922 /nfs/dbraw/zinc/38/99/22/598389922.db2.gz BRQNMNJAQTVEJZ-ZDUSSCGKSA-N 1 0 397.393 1.556 20 0 GDADRO C[NH+](C)Cc1cccc(NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736771707 598401764 /nfs/dbraw/zinc/40/17/64/598401764.db2.gz OEIRNXPKOPLDCV-UHFFFAOYSA-N 1 0 379.424 1.297 20 0 GDADRO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735586966 598428273 /nfs/dbraw/zinc/42/82/73/598428273.db2.gz OCABIABKXYLVDJ-MRXNPFEDSA-N 1 0 399.499 1.822 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1)C[NH+]1CCCC1 ZINC000736019080 598435526 /nfs/dbraw/zinc/43/55/26/598435526.db2.gz DHSKTOIQPBSEAC-CYBMUJFWSA-N 1 0 395.471 1.096 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)c(C)c2)CC1 ZINC000736568232 598438070 /nfs/dbraw/zinc/43/80/70/598438070.db2.gz KAYBSAJEEIUCAM-UHFFFAOYSA-N 1 0 392.467 1.964 20 0 GDADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736769340 598453751 /nfs/dbraw/zinc/45/37/51/598453751.db2.gz OUIPNOYPGJNNPS-UHFFFAOYSA-N 1 0 381.440 1.175 20 0 GDADRO O=C(NCc1cocn1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738124448 598473590 /nfs/dbraw/zinc/47/35/90/598473590.db2.gz NWHOKVLXVNUDRP-UHFFFAOYSA-N 1 0 382.428 1.272 20 0 GDADRO c1nn2cc(C[NH2+]C[C@@H]3CCN(c4ccccc4)C3)cnc2c1-c1nn[nH]n1 ZINC000738436089 598494049 /nfs/dbraw/zinc/49/40/49/598494049.db2.gz PCGSIYRHODURMU-AWEZNQCLSA-N 1 0 375.440 1.526 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738024200 598498330 /nfs/dbraw/zinc/49/83/30/598498330.db2.gz JMGROJNLFRXFKA-FUHWJXTLSA-N 1 0 381.484 1.436 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ccc(-c4nn[nH]n4)cn3)c2)C1 ZINC000737744492 598502610 /nfs/dbraw/zinc/50/26/10/598502610.db2.gz LBYZAGGHHVPKGS-QGZVFWFLSA-N 1 0 392.467 1.571 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000737486826 598503092 /nfs/dbraw/zinc/50/30/92/598503092.db2.gz FKDCZIIJQHQTQJ-NSHDSACASA-N 1 0 397.487 1.058 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736861070 598514672 /nfs/dbraw/zinc/51/46/72/598514672.db2.gz YAHQWSQMWCGJRQ-SFHVURJKSA-N 1 0 398.515 1.178 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736856602 598516644 /nfs/dbraw/zinc/51/66/44/598516644.db2.gz KWMHJUXFLMICAN-OAHLLOKOSA-N 1 0 399.499 1.761 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCc1cccc3cccnc31)C2 ZINC000738445049 598522313 /nfs/dbraw/zinc/52/23/13/598522313.db2.gz CMOXEGISPFUNGY-CYBMUJFWSA-N 1 0 375.440 1.485 20 0 GDADRO Clc1cccc2c1OCC[C@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737573223 598525004 /nfs/dbraw/zinc/52/50/04/598525004.db2.gz CGFRGOZXWASNFE-QMTHXVAHSA-N 1 0 386.847 1.872 20 0 GDADRO COc1ccc(OCCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737110114 598526451 /nfs/dbraw/zinc/52/64/51/598526451.db2.gz SMQMUTXEMKKZRA-CYBMUJFWSA-N 1 0 384.444 1.172 20 0 GDADRO CC(C)(C)c1cn2c(n1)CC[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nn[nH]n4)cnn3C1)C2 ZINC000735652968 598527296 /nfs/dbraw/zinc/52/72/96/598527296.db2.gz ZRMLWSIZZDFSER-CHWSQXEVSA-N 1 0 396.503 1.204 20 0 GDADRO Cc1ccc2c(CC[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c[nH]c2c1 ZINC000737371863 598528211 /nfs/dbraw/zinc/52/82/11/598528211.db2.gz NWGNPPHBUUYVSV-CYBMUJFWSA-N 1 0 377.456 1.727 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)C2 ZINC000738426605 598528804 /nfs/dbraw/zinc/52/88/04/598528804.db2.gz SNQAXYKQJSLNFY-XKQJLSEDSA-N 1 0 380.456 1.615 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736266905 598595034 /nfs/dbraw/zinc/59/50/34/598595034.db2.gz KXZITGUDEUWOJW-CRAIPNDOSA-N 1 0 383.500 1.826 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000737006347 598606329 /nfs/dbraw/zinc/60/63/29/598606329.db2.gz GLXYCLKVNKJSAZ-ZWKOTPCHSA-N 1 0 399.499 1.063 20 0 GDADRO O=C(CC[N@@H+](CCO)CC1CC1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737839428 598620163 /nfs/dbraw/zinc/62/01/63/598620163.db2.gz RZKSLIYDNIPJLP-UHFFFAOYSA-N 1 0 376.486 1.450 20 0 GDADRO O=C(CC[N@H+]1CCCC[C@@H]1CCO)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737843571 598620500 /nfs/dbraw/zinc/62/05/00/598620500.db2.gz KSHQMTJZBAHNBE-GFCCVEGCSA-N 1 0 390.513 1.982 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736266078 598638743 /nfs/dbraw/zinc/63/87/43/598638743.db2.gz MPWWGBQHLZPYCQ-NWDGAFQWSA-N 1 0 389.435 1.181 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000736267902 598689651 /nfs/dbraw/zinc/68/96/51/598689651.db2.gz QJQPFGJKPSXHKX-NWDGAFQWSA-N 1 0 382.465 1.547 20 0 GDADRO Cc1cnn(CCCCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000737449137 598700341 /nfs/dbraw/zinc/70/03/41/598700341.db2.gz SPAULGWKUBAZMQ-UHFFFAOYSA-N 1 0 381.488 1.759 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736858758 598719991 /nfs/dbraw/zinc/71/99/91/598719991.db2.gz BBNHQDMSHATEQH-OAHLLOKOSA-N 1 0 379.424 1.878 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736860797 598720078 /nfs/dbraw/zinc/72/00/78/598720078.db2.gz WMIMYMZSIFXFCB-KRWDZBQOSA-N 1 0 397.483 1.528 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736009769 598731733 /nfs/dbraw/zinc/73/17/33/598731733.db2.gz JMCDZAYNVPTRKF-AWEZNQCLSA-N 1 0 393.451 1.442 20 0 GDADRO O=C(/C=C/C1CCOCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737799748 598755237 /nfs/dbraw/zinc/75/52/37/598755237.db2.gz WGAXYTJUPSJVTA-QPJJXVBHSA-N 1 0 396.495 1.884 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@H](C3OCCO3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738289593 598764074 /nfs/dbraw/zinc/76/40/74/598764074.db2.gz JGYOKBYZTOBMNI-HOCLYGCPSA-N 1 0 384.440 1.057 20 0 GDADRO COC[C@@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736973057 598777578 /nfs/dbraw/zinc/77/75/78/598777578.db2.gz ZPAWYKXPGUYWFG-HNNXBMFYSA-N 1 0 387.488 1.367 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000737896775 598812535 /nfs/dbraw/zinc/81/25/35/598812535.db2.gz YRHFZIKENKKBHJ-QGZVFWFLSA-N 1 0 385.472 1.038 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736568840 598817675 /nfs/dbraw/zinc/81/76/75/598817675.db2.gz CVFACXYOIKXHHR-SFHVURJKSA-N 1 0 383.500 1.780 20 0 GDADRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736522470 598818652 /nfs/dbraw/zinc/81/86/52/598818652.db2.gz LEKRUJOFTZEOJX-INIZCTEOSA-N 1 0 385.472 1.528 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000737032255 599319478 /nfs/dbraw/zinc/31/94/78/599319478.db2.gz HGAFLBBEGQGIOL-AWEZNQCLSA-N 1 0 388.472 1.635 20 0 GDADRO COCCOC[C@H]1CC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821692116 599330119 /nfs/dbraw/zinc/33/01/19/599330119.db2.gz OPDFATIVSSVXHW-HNNXBMFYSA-N 1 0 383.456 1.673 20 0 GDADRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110253 599352083 /nfs/dbraw/zinc/35/20/83/599352083.db2.gz GUHYKHFPJGYPTB-PBHICJAKSA-N 1 0 387.488 1.680 20 0 GDADRO CN(CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000736855166 599355092 /nfs/dbraw/zinc/35/50/92/599355092.db2.gz FYZCIOTWLSSEJH-LBPRGKRZSA-N 1 0 377.880 1.732 20 0 GDADRO Cn1cc([C@H]([NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C(C)(C)C)cn1 ZINC000737607306 599355566 /nfs/dbraw/zinc/35/55/66/599355566.db2.gz XDOMROBBKUKNDK-RDJZCZTQSA-N 1 0 385.472 1.717 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420702 599375705 /nfs/dbraw/zinc/37/57/05/599375705.db2.gz VUXBOWFVXXUOIL-XJKSGUPXSA-N 1 0 377.452 1.895 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CC(N)=NOCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000820706317 599383937 /nfs/dbraw/zinc/38/39/37/599383937.db2.gz YRCADCJDKWJQDP-LBPRGKRZSA-N 1 0 397.443 1.790 20 0 GDADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2=O)n(C)n1 ZINC000822206887 599387385 /nfs/dbraw/zinc/38/73/85/599387385.db2.gz CAORBQDAATXGRJ-BBRMVZONSA-N 1 0 380.456 1.755 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)cc1-c1nn[nH]n1 ZINC000821809714 599393944 /nfs/dbraw/zinc/39/39/44/599393944.db2.gz QVIRQZKJLXGQSH-SFHVURJKSA-N 1 0 394.479 1.866 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C[C@H](C)O1 ZINC000820760948 599406687 /nfs/dbraw/zinc/40/66/87/599406687.db2.gz UKZJTNLQGJJZKX-STQMWFEESA-N 1 0 391.451 1.304 20 0 GDADRO Cn1cc(N2CCC[C@H]([NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)cn1 ZINC000822680393 599450158 /nfs/dbraw/zinc/45/01/58/599450158.db2.gz NFTBFWLLBFWLHH-AWEZNQCLSA-N 1 0 378.444 1.007 20 0 GDADRO C[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736113881 599452961 /nfs/dbraw/zinc/45/29/61/599452961.db2.gz SFVLROGRERIKQZ-HUUCEWRRSA-N 1 0 399.499 1.728 20 0 GDADRO COc1cccc(O[C@@H](C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000821871599 599454364 /nfs/dbraw/zinc/45/43/64/599454364.db2.gz BEOXUJRDFSZWKE-STQMWFEESA-N 1 0 384.444 1.171 20 0 GDADRO COc1ccc(O[C@@H](C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000821839842 599458647 /nfs/dbraw/zinc/45/86/47/599458647.db2.gz ZONKCSPFBAMVDG-STQMWFEESA-N 1 0 384.444 1.171 20 0 GDADRO CO[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(Cl)c1 ZINC000821676951 599463805 /nfs/dbraw/zinc/46/38/05/599463805.db2.gz KNSSBNCIZOIPOT-NHYWBVRUSA-N 1 0 388.863 1.736 20 0 GDADRO COCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000821691569 599495987 /nfs/dbraw/zinc/49/59/87/599495987.db2.gz ZAQZPZKLKLQXMQ-UHFFFAOYSA-N 1 0 385.447 1.807 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000821575407 599546747 /nfs/dbraw/zinc/54/67/47/599546747.db2.gz ASENJXZDXWTDQX-UHFFFAOYSA-N 1 0 394.483 1.770 20 0 GDADRO CC[C@@H]1CN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC[N@@H+]1CCOC ZINC000820995376 599574499 /nfs/dbraw/zinc/57/44/99/599574499.db2.gz QNAKHPCNYISTQV-MRXNPFEDSA-N 1 0 398.471 1.459 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)c1-c1nn[nH]n1 ZINC000822319686 599596829 /nfs/dbraw/zinc/59/68/29/599596829.db2.gz WZRDLZBTUGUEMY-UHFFFAOYSA-N 1 0 385.472 1.494 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000822319440 599598992 /nfs/dbraw/zinc/59/89/92/599598992.db2.gz RTPSBPYCYAENPY-TZMCWYRMSA-N 1 0 385.472 1.350 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)c1-c1nn[nH]n1 ZINC000822308939 599601369 /nfs/dbraw/zinc/60/13/69/599601369.db2.gz KYGZKEADIVDUJA-UHFFFAOYSA-N 1 0 385.472 1.304 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1-c1nn[nH]n1 ZINC000822319834 599601627 /nfs/dbraw/zinc/60/16/27/599601627.db2.gz ZMNZHIJFIGMZNO-RBZFPXEDSA-N 1 0 399.499 1.740 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820239977 599602221 /nfs/dbraw/zinc/60/22/21/599602221.db2.gz BDJJLOPVMAPYAK-VIFPVBQESA-N 1 0 399.377 1.280 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c1-c1nn[nH]n1 ZINC000822313464 599605685 /nfs/dbraw/zinc/60/56/85/599605685.db2.gz MZGUQTQXTNFAEW-HUUCEWRRSA-N 1 0 383.456 1.199 20 0 GDADRO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738075962 599613458 /nfs/dbraw/zinc/61/34/58/599613458.db2.gz SZXGZPVBYAKXDF-MRXNPFEDSA-N 1 0 399.503 1.334 20 0 GDADRO CC(C)OC(=O)CC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820142144 599636366 /nfs/dbraw/zinc/63/63/66/599636366.db2.gz HRXWXFCBTAQOOD-UHFFFAOYSA-N 1 0 386.456 1.859 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000821687266 599676554 /nfs/dbraw/zinc/67/65/54/599676554.db2.gz WHIYSDKCRRKTJE-UHFFFAOYSA-N 1 0 389.504 1.755 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000821687186 599676614 /nfs/dbraw/zinc/67/66/14/599676614.db2.gz SLYMHJHZHXLTMC-UHFFFAOYSA-N 1 0 387.488 1.509 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000823212187 599678349 /nfs/dbraw/zinc/67/83/49/599678349.db2.gz WBPYOYDPSWKVLI-UHFFFAOYSA-N 1 0 399.499 1.905 20 0 GDADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823261745 599692586 /nfs/dbraw/zinc/69/25/86/599692586.db2.gz ROGGDRDCAWOBPF-UHFFFAOYSA-N 1 0 392.463 1.753 20 0 GDADRO Cc1ccc(N2CCC[N@H+](C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CC2)cc1 ZINC000822242811 607389421 /nfs/dbraw/zinc/38/94/21/607389421.db2.gz YKXKYNNCFRUQSF-INIZCTEOSA-N 1 0 393.499 1.626 20 0 GDADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000824777973 607430096 /nfs/dbraw/zinc/43/00/96/607430096.db2.gz LXYUHTQQZDQMNP-CYBMUJFWSA-N 1 0 378.440 1.612 20 0 GDADRO c1sc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1-c1nn[nH]n1 ZINC000823820750 607443746 /nfs/dbraw/zinc/44/37/46/607443746.db2.gz KEOIAYXFASKFLA-UHFFFAOYSA-N 1 0 386.485 1.897 20 0 GDADRO c1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc(-c2nn[nH]n2)n1 ZINC000826516191 607485461 /nfs/dbraw/zinc/48/54/61/607485461.db2.gz ZVMHQNDLEKHVGQ-HNNXBMFYSA-N 1 0 379.472 1.959 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826194091 607488792 /nfs/dbraw/zinc/48/87/92/607488792.db2.gz AGLOPDVWYYUOTF-YQQAZPJKSA-N 1 0 386.500 1.949 20 0 GDADRO O=C(COc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823031904 607503235 /nfs/dbraw/zinc/50/32/35/607503235.db2.gz JGESBUCBCJVBJK-MAUKXSAKSA-N 1 0 382.468 1.721 20 0 GDADRO CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)no1 ZINC000824358248 607506656 /nfs/dbraw/zinc/50/66/56/607506656.db2.gz DOMAYUPCNGVTBA-CQSZACIVSA-N 1 0 383.460 1.474 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000825453733 607513278 /nfs/dbraw/zinc/51/32/78/607513278.db2.gz WOXJHOMMVPQHLZ-WMLDXEAASA-N 1 0 387.488 1.617 20 0 GDADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC000826160353 607519382 /nfs/dbraw/zinc/51/93/82/607519382.db2.gz PAUBWDITPCBJNT-HIFRSBDPSA-N 1 0 388.472 1.238 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@H+](C)CCC1CC1 ZINC000826157215 607523908 /nfs/dbraw/zinc/52/39/08/607523908.db2.gz LUHRHAGCITVUEN-UHFFFAOYSA-N 1 0 389.504 1.992 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000826183689 607527764 /nfs/dbraw/zinc/52/77/64/607527764.db2.gz XPFHWRMFZBKSLW-AWEZNQCLSA-N 1 0 380.456 1.793 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=S)Nc1ccccc1-c1nn[nH]n1 ZINC000825848221 607530918 /nfs/dbraw/zinc/53/09/18/607530918.db2.gz AFENLMXKQIZAKV-UHOFOFEASA-N 1 0 387.513 1.747 20 0 GDADRO CCOCCO[C@H]1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000825605030 607557885 /nfs/dbraw/zinc/55/78/85/607557885.db2.gz ODUQEQMQJMRABF-HNNXBMFYSA-N 1 0 377.445 1.382 20 0 GDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000825855039 607557951 /nfs/dbraw/zinc/55/79/51/607557951.db2.gz GGBWBLDXPINIHV-UHFFFAOYSA-N 1 0 389.435 1.181 20 0 GDADRO COc1ccc(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1-c1nn[nH]n1 ZINC000826198843 607563271 /nfs/dbraw/zinc/56/32/71/607563271.db2.gz KIBNRLLVUQBMHG-UHFFFAOYSA-N 1 0 387.488 1.937 20 0 GDADRO C[C@@H](CNC(=O)NCCN1CCN(C(=O)[O-])CC1)[N@H+](C)Cc1ccccc1 ZINC000738921155 602622920 /nfs/dbraw/zinc/62/29/20/602622920.db2.gz RVRUCBZVTKIXQF-INIZCTEOSA-N 1 0 377.489 1.102 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000826182061 607578745 /nfs/dbraw/zinc/57/87/45/607578745.db2.gz YLDNTMPSEZNTOY-GOSISDBHSA-N 1 0 383.452 1.885 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000824947647 607588815 /nfs/dbraw/zinc/58/88/15/607588815.db2.gz PNRVPNFHNOIUFJ-LLVKDONJSA-N 1 0 384.893 1.530 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000825194706 607614571 /nfs/dbraw/zinc/61/45/71/607614571.db2.gz SDDZARNAVDPXJZ-CYBMUJFWSA-N 1 0 382.465 1.549 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000825194627 607614791 /nfs/dbraw/zinc/61/47/91/607614791.db2.gz ROHLCWCNJMGVNH-GFCCVEGCSA-N 1 0 382.465 1.549 20 0 GDADRO COc1ccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1-c1nn[nH]n1 ZINC000826199194 607622204 /nfs/dbraw/zinc/62/22/04/607622204.db2.gz SINVPTKRTCMFNP-MRXNPFEDSA-N 1 0 387.488 1.795 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825220153 607623682 /nfs/dbraw/zinc/62/36/82/607623682.db2.gz PTSBDLFKQGJIFK-LSDHHAIUSA-N 1 0 385.472 1.644 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739606336 603369879 /nfs/dbraw/zinc/36/98/79/603369879.db2.gz GXYIHOOLWLWVRS-MRXNPFEDSA-N 1 0 382.549 1.792 20 0 GDADRO O=S(=O)(c1cccc(Cl)c1-c1nn[nH]n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000826495710 607640833 /nfs/dbraw/zinc/64/08/33/607640833.db2.gz YPSUNMXKVPQGGW-GFCCVEGCSA-N 1 0 396.904 1.627 20 0 GDADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000824886381 607644931 /nfs/dbraw/zinc/64/49/31/607644931.db2.gz XZHIOZXPQZXRMC-PWSUYJOCSA-N 1 0 384.893 1.623 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000825302163 607654104 /nfs/dbraw/zinc/65/41/04/607654104.db2.gz XRVXBJPRBOEAJT-LBPRGKRZSA-N 1 0 398.920 1.873 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000825412609 607654291 /nfs/dbraw/zinc/65/42/91/607654291.db2.gz SKEJHJXTBPJGHU-LBPRGKRZSA-N 1 0 398.920 1.873 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1-c1nn[nH]n1 ZINC000826300795 607659736 /nfs/dbraw/zinc/65/97/36/607659736.db2.gz GSLOAPAONQXLCF-OAHLLOKOSA-N 1 0 390.513 1.528 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[nH]n3)CC[C@H]21 ZINC000826033732 607673469 /nfs/dbraw/zinc/67/34/69/607673469.db2.gz ISKJOWWWIOSHBS-WCQYABFASA-N 1 0 380.449 1.111 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000833627399 605135594 /nfs/dbraw/zinc/13/55/94/605135594.db2.gz XDMNVYIXOOMLKP-FUHWJXTLSA-N 1 0 376.501 1.350 20 0 GDADRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826437719 607737434 /nfs/dbraw/zinc/73/74/34/607737434.db2.gz YNZZMEIJYWQGSF-UHFFFAOYSA-N 1 0 394.439 1.273 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNc1c(-c2nn[nH]n2)cnc2ccc(OC(F)F)cc21 ZINC000825855042 607738539 /nfs/dbraw/zinc/73/85/39/607738539.db2.gz GHZGRMPUQQCPPK-KRWDZBQOSA-N 1 0 393.398 1.163 20 0 GDADRO CCOc1cc(Cl)ccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000825615776 607752763 /nfs/dbraw/zinc/75/27/63/607752763.db2.gz KDEJJQQOJYXAHS-LLVKDONJSA-N 1 0 388.863 1.947 20 0 GDADRO CC[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCN1C(=O)[O-] ZINC000833843391 605764613 /nfs/dbraw/zinc/76/46/13/605764613.db2.gz LLFPSPAJAQLUHZ-FQEVSTJZSA-N 1 0 389.500 1.633 20 0 GDADRO O=C([O-])N1CCOC[C@@H]1[C@H]1CCC[C@H]1[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000834116191 605827399 /nfs/dbraw/zinc/82/73/99/605827399.db2.gz HIESJGPSDXJQBS-RCCFBDPRSA-N 1 0 381.517 1.769 20 0 GDADRO Cn1ncc(I)c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530026413 649962970 /nfs/dbraw/zinc/96/29/70/649962970.db2.gz HYVHBDZQWBSKBP-NSHDSACASA-N 1 0 388.253 1.771 20 0 GDADRO CNC(=O)CC1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821632609 606035645 /nfs/dbraw/zinc/03/56/45/606035645.db2.gz ANUNOMMZDAVJRE-UHFFFAOYSA-N 1 0 395.471 1.239 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC000821596469 606059153 /nfs/dbraw/zinc/05/91/53/606059153.db2.gz LDQOKKQIOHTNLL-HNNXBMFYSA-N 1 0 399.503 1.047 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821001961 606095988 /nfs/dbraw/zinc/09/59/88/606095988.db2.gz UDUHUPQMSZSAET-HZPDHXFCSA-N 1 0 380.456 1.975 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)C1 ZINC000820702814 606154675 /nfs/dbraw/zinc/15/46/75/606154675.db2.gz AIGKYMUOBFPHIM-KGLIPLIRSA-N 1 0 387.492 1.719 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@]3(CCCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504719 606178840 /nfs/dbraw/zinc/17/88/40/606178840.db2.gz SYBYABDRHYIONJ-XLIONFOSSA-N 1 0 382.468 1.865 20 0 GDADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1cc(-c2nn[nH]n2)cs1)C(F)(F)F ZINC000822693618 606213816 /nfs/dbraw/zinc/21/38/16/606213816.db2.gz HMJMOFKMMMCDJV-ZDUSSCGKSA-N 1 0 387.391 1.592 20 0 GDADRO COc1ccccc1[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH+]1CCCC1 ZINC000821883512 606245300 /nfs/dbraw/zinc/24/53/00/606245300.db2.gz WSOKNYCIDVKSFA-MRXNPFEDSA-N 1 0 381.440 1.770 20 0 GDADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000820530287 606300242 /nfs/dbraw/zinc/30/02/42/606300242.db2.gz ZNAMDKCCTPSQIY-PXAZEXFGSA-N 1 0 376.486 1.188 20 0 GDADRO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820359001 606329013 /nfs/dbraw/zinc/32/90/13/606329013.db2.gz QUWGKRVOFBBYQT-SJKOYZFVSA-N 1 0 375.502 1.664 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821268389 606331667 /nfs/dbraw/zinc/33/16/67/606331667.db2.gz VUMNRXVOMJSTAE-OCCSQVGLSA-N 1 0 375.502 1.450 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000821002340 606331830 /nfs/dbraw/zinc/33/18/30/606331830.db2.gz WBANTZGAGGSQPE-MSOLQXFVSA-N 1 0 383.500 1.432 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821190157 606339001 /nfs/dbraw/zinc/33/90/01/606339001.db2.gz ZPXVMGVYTNFNGJ-UHFFFAOYSA-N 1 0 392.407 1.506 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821266344 606347981 /nfs/dbraw/zinc/34/79/81/606347981.db2.gz BRRLQPUQFNXINC-ZDUSSCGKSA-N 1 0 390.467 1.401 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000821583408 606395216 /nfs/dbraw/zinc/39/52/16/606395216.db2.gz UOCGVCYRNFGUHB-MRXNPFEDSA-N 1 0 397.414 1.363 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821110166 606401312 /nfs/dbraw/zinc/40/13/12/606401312.db2.gz XJCIXYWJRZZARJ-UHFFFAOYSA-N 1 0 389.435 1.183 20 0 GDADRO CO[C@]1(C)C[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1(C)C ZINC000821679021 606452419 /nfs/dbraw/zinc/45/24/19/606452419.db2.gz WECPQOGCKCPJBQ-IDHHARJASA-N 1 0 375.473 1.742 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@H]1SCCc3ccccc31)C2 ZINC000823797858 606483896 /nfs/dbraw/zinc/48/38/96/606483896.db2.gz UFBCQAHZGQLGIQ-BLLLJJGKSA-N 1 0 382.497 1.725 20 0 GDADRO CC[NH+]1CCC(n2nccc2NC(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821255113 606547164 /nfs/dbraw/zinc/54/71/64/606547164.db2.gz USUKDBNNLDZHLB-UHFFFAOYSA-N 1 0 380.456 1.901 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000821587159 606577791 /nfs/dbraw/zinc/57/77/91/606577791.db2.gz JOXMFZWPTGQWPA-UHFFFAOYSA-N 1 0 375.462 1.257 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821581806 606584976 /nfs/dbraw/zinc/58/49/76/606584976.db2.gz VERQLQCANAHVOA-CGTJXYLNSA-N 1 0 383.500 1.825 20 0 GDADRO O=C(N1CC[NH2+]CC1)N1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000530174743 649967484 /nfs/dbraw/zinc/96/74/84/649967484.db2.gz AGJFRYUXLXQFCL-UHFFFAOYSA-N 1 0 395.305 1.264 20 0 GDADRO COC(=O)CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000821660666 606612438 /nfs/dbraw/zinc/61/24/38/606612438.db2.gz ZHLCEGJUAIJENZ-CYBMUJFWSA-N 1 0 386.456 1.859 20 0 GDADRO COC(=O)CCC1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000821660115 606614355 /nfs/dbraw/zinc/61/43/55/606614355.db2.gz GIPATHFPMQFQAN-UHFFFAOYSA-N 1 0 386.456 1.861 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000821351140 606630280 /nfs/dbraw/zinc/63/02/80/606630280.db2.gz LRPAYMLIBHSTGY-CQSZACIVSA-N 1 0 392.508 1.902 20 0 GDADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)CCCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000821241497 606692165 /nfs/dbraw/zinc/69/21/65/606692165.db2.gz ODFVGDXJIYKPIE-DZGCQCFKSA-N 1 0 388.472 1.491 20 0 GDADRO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000819857643 606699291 /nfs/dbraw/zinc/69/92/91/606699291.db2.gz TUWZVRMZJRUKIW-LBPRGKRZSA-N 1 0 389.508 1.216 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCOc1cccc(Cl)c1 ZINC000821600373 606700441 /nfs/dbraw/zinc/70/04/41/606700441.db2.gz JSGCIBRBJXLJBO-UHFFFAOYSA-N 1 0 376.852 1.769 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1nnc(-c2ccccc2)o1 ZINC000821601433 606702234 /nfs/dbraw/zinc/70/22/34/606702234.db2.gz HBSFAGIIJJICQN-UHFFFAOYSA-N 1 0 380.416 1.287 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000821587088 606746018 /nfs/dbraw/zinc/74/60/18/606746018.db2.gz GBOXJEUREBGKOA-UHFFFAOYSA-N 1 0 394.432 1.351 20 0 GDADRO CCc1cccc(OCC[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000821492342 606786140 /nfs/dbraw/zinc/78/61/40/606786140.db2.gz MIBJDIUVXMZVFM-OAHLLOKOSA-N 1 0 394.483 1.809 20 0 GDADRO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821592523 606792737 /nfs/dbraw/zinc/79/27/37/606792737.db2.gz JRXQKBCWBGHXBI-KRWDZBQOSA-N 1 0 398.492 1.762 20 0 GDADRO CCN1C(=O)N=NC1C1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821563994 606814040 /nfs/dbraw/zinc/81/40/40/606814040.db2.gz PBMHOYAUOWGSIW-UHFFFAOYSA-N 1 0 384.444 1.442 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821599260 606818753 /nfs/dbraw/zinc/81/87/53/606818753.db2.gz MQTMISMMVFBUDV-CYBMUJFWSA-N 1 0 389.435 1.277 20 0 GDADRO COC(=O)C[C@H]1CSCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821660100 606822357 /nfs/dbraw/zinc/82/23/57/606822357.db2.gz FXMVGQQBQWZAQA-AWEZNQCLSA-N 1 0 390.469 1.176 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819939686 606855193 /nfs/dbraw/zinc/85/51/93/606855193.db2.gz IFKDZYQHYGLOHF-CVEARBPZSA-N 1 0 388.472 1.889 20 0 GDADRO Clc1cccnc1N1CC[C@@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000822589893 606868648 /nfs/dbraw/zinc/86/86/48/606868648.db2.gz BWFYSLVIHVSCDV-CYBMUJFWSA-N 1 0 395.858 1.931 20 0 GDADRO O=C(CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cn1 ZINC000530240074 649968402 /nfs/dbraw/zinc/96/84/02/649968402.db2.gz KIQSIOYBPIGYLS-OAHLLOKOSA-N 1 0 397.317 1.873 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819939746 606890831 /nfs/dbraw/zinc/89/08/31/606890831.db2.gz IOUBMRFXLJTUCB-XJKSGUPXSA-N 1 0 388.472 1.747 20 0 GDADRO COC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821661559 606891366 /nfs/dbraw/zinc/89/13/66/606891366.db2.gz OGWRHLLVAVNXRZ-SFHVURJKSA-N 1 0 381.436 1.965 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821623958 606892077 /nfs/dbraw/zinc/89/20/77/606892077.db2.gz WGVPPRSKUYCDGT-SNVBAGLBSA-N 1 0 386.428 1.107 20 0 GDADRO Cc1occc1C(=O)NC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822552947 606894198 /nfs/dbraw/zinc/89/41/98/606894198.db2.gz GHTBTNUVXCAACI-SFHVURJKSA-N 1 0 396.451 1.696 20 0 GDADRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820300556 606913294 /nfs/dbraw/zinc/91/32/94/606913294.db2.gz QORFPNRGVFMNHZ-RDTXWAMCSA-N 1 0 383.452 1.875 20 0 GDADRO CCOc1cccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n1 ZINC000821431783 606915043 /nfs/dbraw/zinc/91/50/43/606915043.db2.gz ZZYHTJZNDCGPFW-UHFFFAOYSA-N 1 0 380.456 1.814 20 0 GDADRO O=C(NCCC[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC000823192319 606957860 /nfs/dbraw/zinc/95/78/60/606957860.db2.gz WWRIUFVNGRYZLQ-UHFFFAOYSA-N 1 0 397.405 1.447 20 0 GDADRO C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCN(CCn2cccn2)CC1 ZINC000821610970 606970053 /nfs/dbraw/zinc/97/00/53/606970053.db2.gz LXPYWXXSPLRRAL-UHFFFAOYSA-N 1 0 384.463 1.799 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000821267323 607049373 /nfs/dbraw/zinc/04/93/73/607049373.db2.gz MLRGKRKAPSRASM-SFHVURJKSA-N 1 0 399.499 1.641 20 0 GDADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1ccnc1 ZINC000820722682 607098023 /nfs/dbraw/zinc/09/80/23/607098023.db2.gz LMOCIAZNRATTDI-QGPMSJSTSA-N 1 0 383.456 1.386 20 0 GDADRO O=C(CC[N@H+]1CCSC[C@H]1CCO)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822969106 607121109 /nfs/dbraw/zinc/12/11/09/607121109.db2.gz HWAHECBOCXSSGK-GFCCVEGCSA-N 1 0 396.904 1.649 20 0 GDADRO CCOc1ccnc(N2CCC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)n1 ZINC000821438293 607149812 /nfs/dbraw/zinc/14/98/12/607149812.db2.gz XXBPQCCWXFZRQA-UHFFFAOYSA-N 1 0 398.446 1.907 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[NH+]1CCCC1 ZINC000820262277 607179646 /nfs/dbraw/zinc/17/96/46/607179646.db2.gz USNFACIRAPOGTM-JTQLQIEISA-N 1 0 377.836 1.059 20 0 GDADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000823160551 607192178 /nfs/dbraw/zinc/19/21/78/607192178.db2.gz CUJZBTDQRLDZDN-OALUTQOASA-N 1 0 392.463 1.480 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)cn1 ZINC000821587245 607199984 /nfs/dbraw/zinc/19/99/84/607199984.db2.gz NCIZCCRXMFXCHL-UHFFFAOYSA-N 1 0 375.824 1.922 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000822928327 607223816 /nfs/dbraw/zinc/22/38/16/607223816.db2.gz GZYMWNYHWSAIQO-CNZFZVQHSA-N 1 0 396.495 1.983 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823150022 607225125 /nfs/dbraw/zinc/22/51/25/607225125.db2.gz KDEVSKLCEYEKOM-KBPBESRZSA-N 1 0 376.486 1.426 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000821268097 607230576 /nfs/dbraw/zinc/23/05/76/607230576.db2.gz SMDHLGOHWVBOFD-MRXNPFEDSA-N 1 0 380.456 1.747 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821624095 607230750 /nfs/dbraw/zinc/23/07/50/607230750.db2.gz YXYWKZOSHHCQLI-HZMBPMFUSA-N 1 0 398.439 1.250 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000822144175 607230789 /nfs/dbraw/zinc/23/07/89/607230789.db2.gz KQIACSCEHBAALV-LSDHHAIUSA-N 1 0 376.486 1.280 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821624097 607230820 /nfs/dbraw/zinc/23/08/20/607230820.db2.gz YXYWKZOSHHCQLI-QMTHXVAHSA-N 1 0 398.439 1.250 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821623756 607230828 /nfs/dbraw/zinc/23/08/28/607230828.db2.gz RUYJSHGXTFITKC-ABAIWWIYSA-N 1 0 380.449 1.111 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825856390 607776735 /nfs/dbraw/zinc/77/67/35/607776735.db2.gz UPZIQKVNEZFXQL-HXUWFJFHSA-N 1 0 396.451 1.701 20 0 GDADRO COCc1ccccc1C[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826165345 607814804 /nfs/dbraw/zinc/81/48/04/607814804.db2.gz QKAUCAMYWSALQC-UHFFFAOYSA-N 1 0 387.465 1.577 20 0 GDADRO COc1cc(C[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)ccc1C ZINC000826179648 607815477 /nfs/dbraw/zinc/81/54/77/607815477.db2.gz XUGBYGXQZTWRQJ-UHFFFAOYSA-N 1 0 387.465 1.747 20 0 GDADRO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000826375215 607848857 /nfs/dbraw/zinc/84/88/57/607848857.db2.gz DFOJPOCTGVPTAW-LLVKDONJSA-N 1 0 387.394 1.604 20 0 GDADRO Clc1cc(-c2nn[nH]n2)cnc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000826350678 607848914 /nfs/dbraw/zinc/84/89/14/607848914.db2.gz GRSFLRFKPSMYJK-CQSZACIVSA-N 1 0 377.880 1.996 20 0 GDADRO C[C@](O)(CC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000824670617 607881191 /nfs/dbraw/zinc/88/11/91/607881191.db2.gz SLVOTCISNHBZGE-FQEVSTJZSA-N 1 0 384.484 1.452 20 0 GDADRO Cc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)ncn1 ZINC000826266907 607959596 /nfs/dbraw/zinc/95/95/96/607959596.db2.gz HPBMBPVFGWDJBL-UHFFFAOYSA-N 1 0 395.471 1.239 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)c1ccccn1 ZINC000825866344 607970421 /nfs/dbraw/zinc/97/04/21/607970421.db2.gz WOXUBGMXAZGRMM-UHFFFAOYSA-N 1 0 387.469 1.014 20 0 GDADRO C[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccccc1 ZINC000826029590 607973241 /nfs/dbraw/zinc/97/32/41/607973241.db2.gz UMXSDDAXURBTCX-MSOLQXFVSA-N 1 0 398.492 1.732 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C1SCCS1 ZINC000825865366 608015459 /nfs/dbraw/zinc/01/54/59/608015459.db2.gz AOLJUMFGXBELTL-UHFFFAOYSA-N 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387.488 1.726 20 0 GDADRO COCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826164564 608459743 /nfs/dbraw/zinc/45/97/43/608459743.db2.gz GZNQYHIREXHFHX-AWEZNQCLSA-N 1 0 380.452 1.980 20 0 GDADRO COCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826164681 608482511 /nfs/dbraw/zinc/48/25/11/608482511.db2.gz KTNAWTALBJBDJN-AWEZNQCLSA-N 1 0 380.452 1.980 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554054 608484038 /nfs/dbraw/zinc/48/40/38/608484038.db2.gz MCQDHSFRAXVVQC-CYBMUJFWSA-N 1 0 379.424 1.543 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554007 608487846 /nfs/dbraw/zinc/48/78/46/608487846.db2.gz LOYYHSFYSZHHBY-NSHDSACASA-N 1 0 385.453 1.605 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826223356 608505898 /nfs/dbraw/zinc/50/58/98/608505898.db2.gz KEXAGWGUGIWTQZ-HOCLYGCPSA-N 1 0 376.486 1.258 20 0 GDADRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)cn1 ZINC000826362256 608521821 /nfs/dbraw/zinc/52/18/21/608521821.db2.gz KIRKXLFDDYXSGD-DLBZAZTESA-N 1 0 378.440 1.373 20 0 GDADRO COCCC(=O)N1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826153334 608523179 /nfs/dbraw/zinc/52/31/79/608523179.db2.gz JYNPSXDCZHTAPC-GOSISDBHSA-N 1 0 384.484 1.861 20 0 GDADRO Fc1ccc(N2CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000826375669 608563279 /nfs/dbraw/zinc/56/32/79/608563279.db2.gz XQQIRDRGEVOCSA-UHFFFAOYSA-N 1 0 383.431 1.992 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c1-c1nn[nH]n1 ZINC000826301880 608564468 /nfs/dbraw/zinc/56/44/68/608564468.db2.gz SMQLFZXRMXOPBR-UHFFFAOYSA-N 1 0 376.486 1.424 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C[C@H]1O ZINC000824985099 608586851 /nfs/dbraw/zinc/58/68/51/608586851.db2.gz ROIBFHYWCIYLPA-DGCLKSJQSA-N 1 0 390.513 1.838 20 0 GDADRO c1ccc(C[N@@H+]2CC[C@H](N3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)C2)cc1 ZINC000826521174 608872960 /nfs/dbraw/zinc/87/29/60/608872960.db2.gz CGXXASKUMXFCRN-IBGZPJMESA-N 1 0 390.495 1.658 20 0 GDADRO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000824556112 609147662 /nfs/dbraw/zinc/14/76/62/609147662.db2.gz ZNXMLDJYCKKKMT-LBPRGKRZSA-N 1 0 396.492 1.859 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CN1C1CC1 ZINC000824892287 609168886 /nfs/dbraw/zinc/16/88/86/609168886.db2.gz GHXBKAGQSYSBKC-DDUZABMNSA-N 1 0 381.484 1.577 20 0 GDADRO O=C1[C@@H](NC2CC[NH+](CC3CC3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477069 609169674 /nfs/dbraw/zinc/16/96/74/609169674.db2.gz VBEKXCSRAWMAIT-IBGZPJMESA-N 1 0 395.511 1.826 20 0 GDADRO O=C(c1cccc(-c2nn[nH]n2)c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826473631 609171033 /nfs/dbraw/zinc/17/10/33/609171033.db2.gz HDQNDWXJWXMKAB-UHFFFAOYSA-N 1 0 384.484 1.831 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826431542 609183477 /nfs/dbraw/zinc/18/34/77/609183477.db2.gz FEIFYTGIRFDFHP-IBGZPJMESA-N 1 0 392.463 1.681 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000825851962 609187785 /nfs/dbraw/zinc/18/77/85/609187785.db2.gz ZDPOCZFKWAACHU-MSOLQXFVSA-N 1 0 380.452 1.189 20 0 GDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824770538 609210323 /nfs/dbraw/zinc/21/03/23/609210323.db2.gz LPVVTRUAJTVJMM-CCKFTAQKSA-N 1 0 392.463 1.852 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824874889 609210353 /nfs/dbraw/zinc/21/03/53/609210353.db2.gz HHLCNBNZILSUBP-VBQJREDUSA-N 1 0 386.500 1.773 20 0 GDADRO CN(C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000825870499 609228298 /nfs/dbraw/zinc/22/82/98/609228298.db2.gz OXMRQHXURZTJOT-SFHVURJKSA-N 1 0 396.451 1.504 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824553260 609238542 /nfs/dbraw/zinc/23/85/42/609238542.db2.gz AQYYGPHXWNRWSZ-ZIBATOQPSA-N 1 0 382.465 1.326 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825981093 609239496 /nfs/dbraw/zinc/23/94/96/609239496.db2.gz ONBGSUSVIFWAPG-MOPGFXCFSA-N 1 0 392.463 1.633 20 0 GDADRO CC(C)CC[NH+]1CCC(CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824249587 609244815 /nfs/dbraw/zinc/24/48/15/609244815.db2.gz PPNDIDIRYZIDRR-GOSISDBHSA-N 1 0 386.500 1.774 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825326391 609264975 /nfs/dbraw/zinc/26/49/75/609264975.db2.gz CUAHXYRJPKLLCB-IAGOWNOFSA-N 1 0 397.483 1.353 20 0 GDADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)ccc1O ZINC000826177031 609268782 /nfs/dbraw/zinc/26/87/82/609268782.db2.gz OTDYIRFVHHRANT-UHFFFAOYSA-N 1 0 396.451 1.785 20 0 GDADRO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000826215788 609337397 /nfs/dbraw/zinc/33/73/97/609337397.db2.gz YVQBNKYPLRTXFM-FUHWJXTLSA-N 1 0 393.451 1.911 20 0 GDADRO COCCC[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826155468 609367053 /nfs/dbraw/zinc/36/70/53/609367053.db2.gz RFDOBBJHLZWNQA-INIZCTEOSA-N 1 0 386.500 1.964 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824470454 609367264 /nfs/dbraw/zinc/36/72/64/609367264.db2.gz IGCBBTAUKWRCLJ-HIFRSBDPSA-N 1 0 397.483 1.574 20 0 GDADRO COc1cccc([C@@H](CO)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2OC)c1 ZINC000826214464 609426854 /nfs/dbraw/zinc/42/68/54/609426854.db2.gz MOKZCNQBYVJNGB-MRXNPFEDSA-N 1 0 385.424 1.586 20 0 GDADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1)C(=O)NC(N)=O ZINC000824529053 609449659 /nfs/dbraw/zinc/44/96/59/609449659.db2.gz DEOUYRFWBFSXMT-VXGBXAGGSA-N 1 0 379.424 1.768 20 0 GDADRO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824514219 609456115 /nfs/dbraw/zinc/45/61/15/609456115.db2.gz NIADEDIFVLQBKJ-PBHICJAKSA-N 1 0 377.452 1.902 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000826430124 609497857 /nfs/dbraw/zinc/49/78/57/609497857.db2.gz URHMYKNJTUGQDG-DJIMGWMZSA-N 1 0 377.452 1.835 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257955 609550829 /nfs/dbraw/zinc/55/08/29/609550829.db2.gz UVGSNVSWKYFNER-KRWDZBQOSA-N 1 0 392.467 1.671 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257458 609571160 /nfs/dbraw/zinc/57/11/60/609571160.db2.gz DCRFHSUVWSYEQO-WBVHZDCISA-N 1 0 392.467 1.670 20 0 GDADRO Cc1c(Cl)cnc(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1-c1nn[nH]n1 ZINC000826240318 609583573 /nfs/dbraw/zinc/58/35/73/609583573.db2.gz MSRXXELSFKWVAT-ZDUSSCGKSA-N 1 0 394.911 1.728 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000531685457 649995075 /nfs/dbraw/zinc/99/50/75/649995075.db2.gz QTFBLZNJODNSQA-WMLDXEAASA-N 1 0 386.539 1.585 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CN1C1CC1 ZINC000531940254 650002213 /nfs/dbraw/zinc/00/22/13/650002213.db2.gz CZSXUVGBDBOOSE-KGLIPLIRSA-N 1 0 385.555 1.484 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(S(N)(=O)=O)s1)Cc1ccccc1 ZINC000533809085 650214197 /nfs/dbraw/zinc/21/41/97/650214197.db2.gz BFWGYHKRDUXINW-CQSZACIVSA-N 1 0 381.523 1.227 20 0 GDADRO CN(CC(=O)NCCNc1cc[nH+]cc1)C(=O)c1ccc(Br)o1 ZINC000534521336 650224054 /nfs/dbraw/zinc/22/40/54/650224054.db2.gz BSGUHXXZCRKBPR-UHFFFAOYSA-N 1 0 381.230 1.159 20 0 GDADRO C[NH+](C)CCCN(C(=O)CSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000534897886 650234180 /nfs/dbraw/zinc/23/41/80/650234180.db2.gz XAWUUNDXEKVDAF-NSHDSACASA-N 1 0 376.466 1.249 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)c1ccc(Br)cc1-n1cncn1 ZINC000535512448 650249083 /nfs/dbraw/zinc/24/90/83/650249083.db2.gz VMRPWECEZHBTHT-UHFFFAOYSA-N 1 0 387.241 1.689 20 0 GDADRO CS[C@@H]1CN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H]1[NH+](C)C ZINC000535664444 650253227 /nfs/dbraw/zinc/25/32/27/650253227.db2.gz ABDOFXYYPVVRFW-DLBZAZTESA-N 1 0 387.571 1.293 20 0 GDADRO NC(=O)[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(Br)cc1 ZINC000536629782 650274360 /nfs/dbraw/zinc/27/43/60/650274360.db2.gz LSDZWKYFZQGVDL-AWEZNQCLSA-N 1 0 389.315 1.780 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000536831794 650281437 /nfs/dbraw/zinc/28/14/37/650281437.db2.gz IASBWOKJQRNHSC-CYBMUJFWSA-N 1 0 391.559 1.305 20 0 GDADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000537280859 650288205 /nfs/dbraw/zinc/28/82/05/650288205.db2.gz NRLJMHQFVURMCM-UHFFFAOYSA-N 1 0 388.262 1.473 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000537980711 650302794 /nfs/dbraw/zinc/30/27/94/650302794.db2.gz JMQIKWGFPGMHRF-CQSZACIVSA-N 1 0 398.349 1.568 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(-n2cncn2)cc1Cl ZINC000539046381 650327610 /nfs/dbraw/zinc/32/76/10/650327610.db2.gz DUBOKDROCGJWBB-STQMWFEESA-N 1 0 383.905 1.853 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(-n2cncn2)cc1Cl ZINC000539046379 650327656 /nfs/dbraw/zinc/32/76/56/650327656.db2.gz DUBOKDROCGJWBB-OLZOCXBDSA-N 1 0 383.905 1.853 20 0 GDADRO CC[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCOCC1 ZINC000539426201 650334426 /nfs/dbraw/zinc/33/44/26/650334426.db2.gz NAEGQYGYKVMLOZ-AWEZNQCLSA-N 1 0 389.905 1.721 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCOCC1 ZINC000539426202 650334450 /nfs/dbraw/zinc/33/44/50/650334450.db2.gz NAEGQYGYKVMLOZ-CQSZACIVSA-N 1 0 389.905 1.721 20 0 GDADRO CC[N@H+](CCNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(C)C ZINC000539530137 650336955 /nfs/dbraw/zinc/33/69/55/650336955.db2.gz BVBLLHALEJOFFY-UHFFFAOYSA-N 1 0 392.319 1.557 20 0 GDADRO COc1cc(C(=O)NCCOCC[NH+](C)C)cc(OC)c1Br ZINC000539746945 650339391 /nfs/dbraw/zinc/33/93/91/650339391.db2.gz NOUGXTZKOXUGRL-UHFFFAOYSA-N 1 0 375.263 1.774 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540055641 650348011 /nfs/dbraw/zinc/34/80/11/650348011.db2.gz OPLOTQXFYWWNPF-CYBMUJFWSA-N 1 0 381.420 1.835 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000540517839 650361382 /nfs/dbraw/zinc/36/13/82/650361382.db2.gz ZBBGPOKPBYDUHC-UHFFFAOYSA-N 1 0 377.304 1.633 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000540723517 650368854 /nfs/dbraw/zinc/36/88/54/650368854.db2.gz QYLYVIFOSWSJCY-YWPYICTPSA-N 1 0 386.514 1.892 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000541322439 650381982 /nfs/dbraw/zinc/38/19/82/650381982.db2.gz LQPISYPTDNYBRA-RRQGHBQHSA-N 1 0 397.313 1.989 20 0 GDADRO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc([S@@](C)=O)cc1 ZINC000542048237 650398311 /nfs/dbraw/zinc/39/83/11/650398311.db2.gz UTJDOXABDFCHOD-RKNYENMMSA-N 1 0 382.507 1.801 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCCOC1 ZINC000542577688 650407625 /nfs/dbraw/zinc/40/76/25/650407625.db2.gz QOVTUGMJEBUDSH-MNOVXSKESA-N 1 0 375.878 1.331 20 0 GDADRO C[N@@H+]1CC[C@H]1CNC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000916161797 660187846 /nfs/dbraw/zinc/18/78/46/660187846.db2.gz YZTKWMYBEMYFMH-AWEZNQCLSA-N 1 0 383.290 1.572 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000543075204 650418261 /nfs/dbraw/zinc/41/82/61/650418261.db2.gz KDTFJIQIDWPWKU-NSHDSACASA-N 1 0 377.894 1.595 20 0 GDADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@H](CO)C2CCCCC2)c1 ZINC000543835994 650430117 /nfs/dbraw/zinc/43/01/17/650430117.db2.gz FJBMWJJPIHRBCL-OAHLLOKOSA-N 1 0 389.905 1.457 20 0 GDADRO COC[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000544411230 650439535 /nfs/dbraw/zinc/43/95/35/650439535.db2.gz VXLKTCZFNBXKNF-GDBMZVCRSA-N 1 0 388.555 1.524 20 0 GDADRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000544640451 650442007 /nfs/dbraw/zinc/44/20/07/650442007.db2.gz YRSAGBMRIRHZPO-INIZCTEOSA-N 1 0 381.885 1.305 20 0 GDADRO Cc1c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000545863332 650462622 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O=C(NCc1cc(Br)cc2c1OCC2)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000547324350 650495285 /nfs/dbraw/zinc/49/52/85/650495285.db2.gz JVJHZOQGESTKJV-HNNXBMFYSA-N 1 0 380.286 1.390 20 0 GDADRO Cn1cc(C(C)(C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)cn1 ZINC000547412996 650497322 /nfs/dbraw/zinc/49/73/22/650497322.db2.gz GCPBTCDSAHHMLP-UHFFFAOYSA-N 1 0 385.877 1.184 20 0 GDADRO C[C@@H]1CN(c2cc(Br)cc(F)c2C(N)=O)CC[N@@H+]1CC(C)(C)O ZINC000547709022 650512625 /nfs/dbraw/zinc/51/26/25/650512625.db2.gz HISPUWTVQSFFIV-SNVBAGLBSA-N 1 0 388.281 1.969 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc2ncsc2c1 ZINC000547930909 650523687 /nfs/dbraw/zinc/52/36/87/650523687.db2.gz MTFFPZFVHVQYDB-DYEKYZERSA-N 1 0 381.523 1.981 20 0 GDADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000548403879 650545269 /nfs/dbraw/zinc/54/52/69/650545269.db2.gz NHMRIXOFKABPTB-LLVKDONJSA-N 1 0 393.962 1.916 20 0 GDADRO Cc1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)c2ccc(Br)cc2n1 ZINC000549903389 650584883 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GDADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000567708587 650916181 /nfs/dbraw/zinc/91/61/81/650916181.db2.gz SEXQPYSVVQFJRC-IAGOWNOFSA-N 1 0 389.949 1.494 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000567736175 650917688 /nfs/dbraw/zinc/91/76/88/650917688.db2.gz OPMVPFPFIKIWBN-LBPRGKRZSA-N 1 0 381.420 1.617 20 0 GDADRO CCC[NH2+][C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000567900237 650927747 /nfs/dbraw/zinc/92/77/47/650927747.db2.gz KTSRAYBZVXVFIT-GFCCVEGCSA-N 1 0 375.441 1.186 20 0 GDADRO CN1C(=O)C[C@H](NC(=O)c2csc(CC[NH3+])n2)[C@@H]1c1ccc(Cl)cc1 ZINC000567908940 650928539 /nfs/dbraw/zinc/92/85/39/650928539.db2.gz TUFRQOBGCYZVDH-LRDDRELGSA-N 1 0 378.885 2.000 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000069954540 644584169 /nfs/dbraw/zinc/58/41/69/644584169.db2.gz MSSLHPZNTMJCNV-UHFFFAOYSA-N 1 0 388.456 1.187 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000103492401 644602915 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650956009 /nfs/dbraw/zinc/95/60/09/650956009.db2.gz JNBFFTBTBSQIKP-HUUCEWRRSA-N 1 0 390.933 1.792 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000161326543 644853228 /nfs/dbraw/zinc/85/32/28/644853228.db2.gz WKNZWOWFIMUEGG-AWEZNQCLSA-N 1 0 385.917 1.949 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC(C)(C)CCC[NH3+])c1OC ZINC000568392831 650956432 /nfs/dbraw/zinc/95/64/32/650956432.db2.gz GSKJYTNKKZWAGU-UHFFFAOYSA-N 1 0 377.894 1.504 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)COc1ccc(C=O)cc1Br ZINC000173113518 644888407 /nfs/dbraw/zinc/88/84/07/644888407.db2.gz GPMFLJQEMYETIN-ZDUSSCGKSA-N 1 0 398.301 1.393 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1Br ZINC000183135984 644967236 /nfs/dbraw/zinc/96/72/36/644967236.db2.gz WYIBXCYLMQOADU-NSHDSACASA-N 1 0 390.303 1.685 20 0 GDADRO O=S(=O)(NCCCn1ccnc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000186840864 644996235 /nfs/dbraw/zinc/99/62/35/644996235.db2.gz UKSBRHVNMXYAEQ-UHFFFAOYSA-N 1 0 397.400 1.545 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(Cn2nc(C(F)(F)F)sc2=S)CC1 ZINC000188680216 645007365 /nfs/dbraw/zinc/00/73/65/645007365.db2.gz CIVIEUNGFYDVIY-UHFFFAOYSA-N 1 0 395.476 1.890 20 0 GDADRO COCCO[C@@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000188926454 645009667 /nfs/dbraw/zinc/00/96/67/645009667.db2.gz HGDRGSCHPJYUPH-GFCCVEGCSA-N 1 0 382.258 1.854 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc(C(C)=O)ccc2Cl)CC1 ZINC000190908251 645025358 /nfs/dbraw/zinc/02/53/58/645025358.db2.gz LVWCICVQHOOIRD-CYBMUJFWSA-N 1 0 387.933 1.847 20 0 GDADRO COc1cc(NC(=O)CC[NH2+][C@H]2CCS(=O)(=O)C2)c(OC)cc1Cl ZINC000242964323 645090662 /nfs/dbraw/zinc/09/06/62/645090662.db2.gz HKSAMTMLGGMNKK-JTQLQIEISA-N 1 0 376.862 1.463 20 0 GDADRO C[C@H](C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245854522 645092594 /nfs/dbraw/zinc/09/25/94/645092594.db2.gz DYQXFEAJLAZQBA-GRYCIOLGSA-N 1 0 385.452 1.678 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000262369606 645128702 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COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000285712982 645189361 /nfs/dbraw/zinc/18/93/61/645189361.db2.gz SCMJYOWCIBFADX-VIFPVBQESA-N 1 0 382.360 1.306 20 0 GDADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569225971 650989603 /nfs/dbraw/zinc/98/96/03/650989603.db2.gz QQVSSOVZTOVWRG-KRWDZBQOSA-N 1 0 394.269 1.996 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000569242788 650990958 /nfs/dbraw/zinc/99/09/58/650990958.db2.gz AQLWMHIPKHHNBC-NWDGAFQWSA-N 1 0 393.506 1.383 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCC[NH+](C)C)C2)s1 ZINC000299496039 645229157 /nfs/dbraw/zinc/22/91/57/645229157.db2.gz JXNVRPPFGXIZTG-OAHLLOKOSA-N 1 0 387.571 1.915 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2c(Br)nnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000309731257 645240976 /nfs/dbraw/zinc/24/09/76/645240976.db2.gz RXAVINDNRIZZRB-AAEUAGOBSA-N 1 0 378.274 1.970 20 0 GDADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000310596926 645241299 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GDADRO O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC[NH+]2CCC1CC2 ZINC000329363047 645308641 /nfs/dbraw/zinc/30/86/41/645308641.db2.gz ZGSOBPVNMMZSNE-HNNXBMFYSA-N 1 0 383.539 1.598 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000329711125 645323944 /nfs/dbraw/zinc/32/39/44/645323944.db2.gz OEQQALNRCYETLF-OAHLLOKOSA-N 1 0 385.917 1.520 20 0 GDADRO CCC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000330439140 645359367 /nfs/dbraw/zinc/35/93/67/645359367.db2.gz CPBSKSFTMYESOX-UHFFFAOYSA-N 1 0 379.935 1.670 20 0 GDADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000330563754 645375028 /nfs/dbraw/zinc/37/50/28/645375028.db2.gz JJFUPYLFIBPXGW-CQSZACIVSA-N 1 0 384.464 1.934 20 0 GDADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000330951026 645441525 /nfs/dbraw/zinc/44/15/25/645441525.db2.gz PBXVPTWRAKMFOD-HZPDHXFCSA-N 1 0 377.551 1.163 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)C[C@H]2C)c(C)c[nH+]1 ZINC000569708243 651011575 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CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000577372434 651726840 /nfs/dbraw/zinc/72/68/40/651726840.db2.gz BFTUMYYCPLHUCV-CQSZACIVSA-N 1 0 391.559 1.369 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(I)cc1F)[C@H](C)[NH3+] ZINC000577651774 651745823 /nfs/dbraw/zinc/74/58/23/651745823.db2.gz QPMIAXBAPPYRDR-NKWVEPMBSA-N 1 0 379.173 1.221 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000577739702 651749062 /nfs/dbraw/zinc/74/90/62/651749062.db2.gz AOQCAWMJPPLCIT-MRXNPFEDSA-N 1 0 384.274 1.603 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000577740310 651749332 /nfs/dbraw/zinc/74/93/32/651749332.db2.gz UCFWCLAAJWSFNZ-IAGOWNOFSA-N 1 0 376.302 1.822 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000577860438 651759047 /nfs/dbraw/zinc/75/90/47/651759047.db2.gz FTBYOAKCXZUQBX-HUUCEWRRSA-N 1 0 376.906 1.483 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577888600 651762262 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Cn1cc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(-c2ccc(Cl)s2)n1 ZINC000579259404 651847213 /nfs/dbraw/zinc/84/72/13/651847213.db2.gz UHNSHPGEFJPIOC-GXSJLCMTSA-N 1 0 379.873 1.186 20 0 GDADRO CSc1ccc([C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)[NH+](C)C)cc1 ZINC000579281147 651848034 /nfs/dbraw/zinc/84/80/34/651848034.db2.gz DAPKLOMBRRRODK-CQSZACIVSA-N 1 0 383.495 1.682 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCN(S(=O)(=O)CCC)CC1 ZINC000579300747 651848411 /nfs/dbraw/zinc/84/84/11/651848411.db2.gz XXVGSWGQALASEW-OAHLLOKOSA-N 1 0 376.567 1.610 20 0 GDADRO CCc1noc2ncc(S(=O)(=O)NCC3(SC)CC[NH+](C)CC3)cc12 ZINC000579411795 651856996 /nfs/dbraw/zinc/85/69/96/651856996.db2.gz AJNSUHCYLVEJSX-UHFFFAOYSA-N 1 0 384.527 1.891 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000579450601 651859991 /nfs/dbraw/zinc/85/99/91/651859991.db2.gz WQPKSURLAXLTTI-CQSZACIVSA-N 1 0 394.273 2.135 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000579570595 651868506 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GDADRO C[C@@H](CNC(=O)CCOCC(F)(F)C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000579858596 651881357 /nfs/dbraw/zinc/88/13/57/651881357.db2.gz ILXLTVSELRITIZ-LBPRGKRZSA-N 1 0 375.382 1.590 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000580072175 651893533 /nfs/dbraw/zinc/89/35/33/651893533.db2.gz QWGVPMNTFNCBQR-OAHLLOKOSA-N 1 0 380.286 1.918 20 0 GDADRO COC[C@]1(CNC(=O)[C@@](N)(c2cccc(Cl)c2)C(F)(F)F)CCC[NH2+]1 ZINC000580192716 651902848 /nfs/dbraw/zinc/90/28/48/651902848.db2.gz AHPUWRMIKJTMTR-CABCVRRESA-N 1 0 379.810 1.941 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000580534095 651923446 /nfs/dbraw/zinc/92/34/46/651923446.db2.gz VGTLNDDOACSSNO-UHFFFAOYSA-N 1 0 388.295 1.837 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000581072516 651958686 /nfs/dbraw/zinc/95/86/86/651958686.db2.gz STWDYTKUKATYPY-CVEARBPZSA-N 1 0 389.539 1.393 20 0 GDADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000581127222 651960257 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CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000582487816 651999423 /nfs/dbraw/zinc/99/94/23/651999423.db2.gz DJLOYYNVBWANLH-HUUCEWRRSA-N 1 0 391.603 1.284 20 0 GDADRO CSc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000582960382 652021979 /nfs/dbraw/zinc/02/19/79/652021979.db2.gz OYBLMAPEFMRUGT-CPUCHLNUSA-N 1 0 388.555 1.456 20 0 GDADRO Cc1nc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)sc1SCC(N)=O ZINC000583124369 652026824 /nfs/dbraw/zinc/02/68/24/652026824.db2.gz FZEIURMVLLYKPK-QGZVFWFLSA-N 1 0 376.507 1.899 20 0 GDADRO C(CN1CCO[C@]2(CCSC2)C1)OCC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000583260432 652032537 /nfs/dbraw/zinc/03/25/37/652032537.db2.gz PIQJVBPLJFFCQI-QZTJIDSGSA-N 1 0 388.599 1.419 20 0 GDADRO COC(=O)c1cccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c1Br ZINC000584398690 652068208 /nfs/dbraw/zinc/06/82/08/652068208.db2.gz LWWUWOLIBIOBFG-SNVBAGLBSA-N 1 0 385.262 1.342 20 0 GDADRO CC(C)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC000584815733 652083086 /nfs/dbraw/zinc/08/30/86/652083086.db2.gz SBYDIXQVQPRVTG-GFCCVEGCSA-N 1 0 393.962 1.821 20 0 GDADRO C[C@H](CNC(=O)CS(=O)(=O)c1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000589965396 652122875 /nfs/dbraw/zinc/12/28/75/652122875.db2.gz COJUYKJVBIAKFX-LLVKDONJSA-N 1 0 389.315 1.822 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1Br ZINC000590400838 652131976 /nfs/dbraw/zinc/13/19/76/652131976.db2.gz TZBJECZUMBGPEB-GFCCVEGCSA-N 1 0 377.304 1.838 20 0 GDADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000592208325 652176961 /nfs/dbraw/zinc/17/69/61/652176961.db2.gz SOKRKWDRFUVVBY-ZWNOBZJWSA-N 1 0 376.222 1.823 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000592556695 652195430 /nfs/dbraw/zinc/19/54/30/652195430.db2.gz WHZMIVBKYHFIHB-GFCCVEGCSA-N 1 0 381.230 1.303 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(F)c(F)cc1Br ZINC000592556804 652195483 /nfs/dbraw/zinc/19/54/83/652195483.db2.gz UKNNVAXIKOGNPB-GFCCVEGCSA-N 1 0 377.185 1.704 20 0 GDADRO COC(=O)CCCCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593733584 652245825 /nfs/dbraw/zinc/24/58/25/652245825.db2.gz XDNIYBNQTLFJSJ-OAGGEKHMSA-N 1 0 376.519 1.410 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2ccccc2I)CC1 ZINC000593769964 652247469 /nfs/dbraw/zinc/24/74/69/652247469.db2.gz HDLDYDNJDFCFFV-UHFFFAOYSA-N 1 0 387.221 1.475 20 0 GDADRO COC(=O)CCc1nnc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)s1 ZINC000594295414 652277243 /nfs/dbraw/zinc/27/72/43/652277243.db2.gz NNTNZIQYXNTSRX-GFCCVEGCSA-N 1 0 384.527 1.800 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1F ZINC000594463426 652294569 /nfs/dbraw/zinc/29/45/69/652294569.db2.gz YELWBBAALDDYAZ-INIZCTEOSA-N 1 0 390.864 1.982 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1F ZINC000594530987 652310845 /nfs/dbraw/zinc/31/08/45/652310845.db2.gz NVBYHWCHSROQRE-GFCCVEGCSA-N 1 0 378.853 1.884 20 0 GDADRO NC(=O)NC(=O)CC[NH2+]Cc1cc(Cl)ccc1I ZINC000594717649 652351255 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COC(=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)n1C ZINC000602011148 652614164 /nfs/dbraw/zinc/61/41/64/652614164.db2.gz HUFDYDVASRTGIG-UHFFFAOYSA-N 1 0 391.902 1.595 20 0 GDADRO CC(C)C[C@@H]([NH3+])CN1CCN(c2ncc(I)cn2)CC1 ZINC000602022291 652614358 /nfs/dbraw/zinc/61/43/58/652614358.db2.gz UCIWMNQKOBVJDE-CYBMUJFWSA-N 1 0 389.285 1.577 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000602023139 652614365 /nfs/dbraw/zinc/61/43/65/652614365.db2.gz ODJNSJHFFHCZBY-QMMMGPOBSA-N 1 0 376.240 1.785 20 0 GDADRO COC(=O)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)Oc1ccc(Br)cc1 ZINC000602152464 652620825 /nfs/dbraw/zinc/62/08/25/652620825.db2.gz WAYPUSLTBZRRFF-CQSZACIVSA-N 1 0 399.285 1.828 20 0 GDADRO C[NH+](C)[C@H]1C[C@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)C1(C)C ZINC000602170290 652622148 /nfs/dbraw/zinc/62/21/48/652622148.db2.gz IWWCOGCPQMOUQD-STQMWFEESA-N 1 0 380.539 1.834 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2nn(C)cc2I)C[C@H]1C ZINC000602300675 652629076 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COc1ccc(-c2nc(C[NH2+]CC3(O)CCS(=O)(=O)CC3)cs2)cc1 ZINC000607366101 652801045 /nfs/dbraw/zinc/80/10/45/652801045.db2.gz SWKYNGJASQZKAY-UHFFFAOYSA-N 1 0 382.507 1.848 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)[C@H]1c1cccs1 ZINC000607671559 652804137 /nfs/dbraw/zinc/80/41/37/652804137.db2.gz QKGRDZIOOUXBQN-CJNGLKHVSA-N 1 0 387.571 1.965 20 0 GDADRO COCC(=O)N1CCC([NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000608056109 652814519 /nfs/dbraw/zinc/81/45/19/652814519.db2.gz UPMOGXKZINTRQF-UHFFFAOYSA-N 1 0 381.274 1.824 20 0 GDADRO COC(=O)C1CCN(S(=O)(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000609138440 652835960 /nfs/dbraw/zinc/83/59/60/652835960.db2.gz AWIGGKFYPTZEDR-UHFFFAOYSA-N 1 0 375.535 1.168 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CSCc1cc(-c2cccs2)on1 ZINC000609530983 652847828 /nfs/dbraw/zinc/84/78/28/652847828.db2.gz HXVLHXMTKJYTBV-CQSZACIVSA-N 1 0 380.539 1.998 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2CC)C1 ZINC000609598043 652851118 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COc1cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)sc1S(N)(=O)=O ZINC000621105975 652995421 /nfs/dbraw/zinc/99/54/21/652995421.db2.gz BNHRWRYIXAUFHC-GFCCVEGCSA-N 1 0 387.527 1.256 20 0 GDADRO COc1cc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(Br)cn1 ZINC000621263254 652996738 /nfs/dbraw/zinc/99/67/38/652996738.db2.gz JUDHGICDQJLOBN-HNNXBMFYSA-N 1 0 397.317 1.591 20 0 GDADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc(Br)c[nH]c1=O ZINC000621664041 652998566 /nfs/dbraw/zinc/99/85/66/652998566.db2.gz IQKLWWHJJGJOGS-UHFFFAOYSA-N 1 0 383.290 1.496 20 0 GDADRO CN1CCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000621850969 652999297 /nfs/dbraw/zinc/99/92/97/652999297.db2.gz IKRPOPDWCVKAQA-CYBMUJFWSA-N 1 0 391.260 1.825 20 0 GDADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Br)c[nH]c1=O ZINC000621874731 652999793 /nfs/dbraw/zinc/99/97/93/652999793.db2.gz SPCZSLBJNBALSG-LLVKDONJSA-N 1 0 384.274 1.780 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2c(cc1Br)OCO2 ZINC000621907701 653000171 /nfs/dbraw/zinc/00/01/71/653000171.db2.gz ZBXUCSBIBNNNJA-UHFFFAOYSA-N 1 0 385.258 1.754 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622012532 653000824 /nfs/dbraw/zinc/00/08/24/653000824.db2.gz DDLFHPMZVNFNCE-HZMBPMFUSA-N 1 0 375.288 1.960 20 0 GDADRO COc1ccc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(Br)c1 ZINC000622940436 653002429 /nfs/dbraw/zinc/00/24/29/653002429.db2.gz ZMUWWPXBNFGPFT-UHFFFAOYSA-N 1 0 386.290 1.550 20 0 GDADRO CC[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cccc(Br)c1 ZINC000624280965 653011112 /nfs/dbraw/zinc/01/11/12/653011112.db2.gz WIMAJESUKUWXCR-AWEZNQCLSA-N 1 0 376.320 1.980 20 0 GDADRO CN(C)S(=O)(=O)N1CC([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000624284005 653011260 /nfs/dbraw/zinc/01/12/60/653011260.db2.gz DFVVBNRSNOAIRU-OAHLLOKOSA-N 1 0 388.331 1.980 20 0 GDADRO CN(C)S(=O)(=O)N1CC([NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000624284004 653011335 /nfs/dbraw/zinc/01/13/35/653011335.db2.gz DFVVBNRSNOAIRU-HNNXBMFYSA-N 1 0 388.331 1.980 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624284566 653011709 /nfs/dbraw/zinc/01/17/09/653011709.db2.gz VYEYGGOCKNBCJT-NSHDSACASA-N 1 0 376.320 1.460 20 0 GDADRO COc1ncc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000624391686 653011856 /nfs/dbraw/zinc/01/18/56/653011856.db2.gz BJAJJDSVEDLWCI-WPRPVWTQSA-N 1 0 387.811 1.891 20 0 GDADRO Cc1noc2ncc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)cc12 ZINC000624391433 653011893 /nfs/dbraw/zinc/01/18/93/653011893.db2.gz XIDLRLTZKGTKAO-SKDRFNHKSA-N 1 0 378.376 1.679 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)CC[C@H]1C(F)(F)F ZINC000624392358 653012153 /nfs/dbraw/zinc/01/21/53/653012153.db2.gz PLAFEZZQWZAIGD-SMDDNHRTSA-N 1 0 376.400 1.963 20 0 GDADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000625084256 653017488 /nfs/dbraw/zinc/01/74/88/653017488.db2.gz ZROJXGCDVHDQGE-CYBMUJFWSA-N 1 0 383.283 1.488 20 0 GDADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000625084253 653017512 /nfs/dbraw/zinc/01/75/12/653017512.db2.gz ZKYKUMKHTHEECV-ZDUSSCGKSA-N 1 0 386.392 1.185 20 0 GDADRO CCCN(CC(F)(F)F)C(=O)CN1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000625343776 653029520 /nfs/dbraw/zinc/02/95/20/653029520.db2.gz SXBYVZYRFHPXSE-SNVBAGLBSA-N 1 0 377.329 1.788 20 0 GDADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 ZINC000625423320 653034331 /nfs/dbraw/zinc/03/43/31/653034331.db2.gz XUHNTEBEMUOTAC-GFCCVEGCSA-N 1 0 393.506 1.207 20 0 GDADRO Nc1nc(N)nc(CN2CC[C@@H](Sc3ccc(Br)cc3)C2)n1 ZINC000625704970 653042958 /nfs/dbraw/zinc/04/29/58/653042958.db2.gz OLWVJZPLCDDGEL-LLVKDONJSA-N 1 0 381.303 1.826 20 0 GDADRO O=C(C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)NCC(F)(F)F ZINC000625793989 653045197 /nfs/dbraw/zinc/04/51/97/653045197.db2.gz BJKXIVMHKBJPBS-CQSZACIVSA-N 1 0 395.219 1.937 20 0 GDADRO NS(=O)(=O)NC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000626032926 653046841 /nfs/dbraw/zinc/04/68/41/653046841.db2.gz AQZYIIGGQSJTAE-UHFFFAOYSA-N 1 0 378.292 1.085 20 0 GDADRO NS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000626034806 653047187 /nfs/dbraw/zinc/04/71/87/653047187.db2.gz PZKZVFJTDRODGD-UHFFFAOYSA-N 1 0 395.312 1.580 20 0 GDADRO NS(=O)(=O)NC1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000626034492 653047246 /nfs/dbraw/zinc/04/72/46/653047246.db2.gz BUUUXDYNAKFGLF-UHFFFAOYSA-N 1 0 385.877 1.190 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626830178 653061729 /nfs/dbraw/zinc/06/17/29/653061729.db2.gz AUQRUDBVUQCHPN-LLVKDONJSA-N 1 0 378.270 1.648 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1Cl ZINC000626881040 653062262 /nfs/dbraw/zinc/06/22/62/653062262.db2.gz LEEHAWLKZZWRIZ-JTQLQIEISA-N 1 0 376.240 1.435 20 0 GDADRO [NH3+]CC1(NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CCOCC1 ZINC000626883739 653062981 /nfs/dbraw/zinc/06/29/81/653062981.db2.gz DSYZVCPEGNSBJS-UHFFFAOYSA-N 1 0 392.200 1.290 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)N(C)CCOCC[NH3+])cc1Cl ZINC000626896542 653064449 /nfs/dbraw/zinc/06/44/49/653064449.db2.gz XNQJKQBQJPGPKV-UHFFFAOYSA-N 1 0 378.256 1.764 20 0 GDADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000626945902 653065181 /nfs/dbraw/zinc/06/51/81/653065181.db2.gz OEJUOHZMFMSOEI-HNNXBMFYSA-N 1 0 397.317 1.818 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000626968056 653065601 /nfs/dbraw/zinc/06/56/01/653065601.db2.gz AXCILAOSPQRBCD-HNNXBMFYSA-N 1 0 399.333 1.905 20 0 GDADRO [NH3+]CCCOCCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000626969523 653065869 /nfs/dbraw/zinc/06/58/69/653065869.db2.gz XQUHWFWXPHQYGJ-CQSZACIVSA-N 1 0 385.306 1.692 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C[NH2+]1 ZINC000627020882 653067194 /nfs/dbraw/zinc/06/71/94/653067194.db2.gz NSGAUJOIUTWNPR-KYOSRNDESA-N 1 0 395.301 1.994 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000627292497 653071430 /nfs/dbraw/zinc/07/14/30/653071430.db2.gz WHFJCTYYOAWFIC-SECBINFHSA-N 1 0 380.247 1.791 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627328721 653072525 /nfs/dbraw/zinc/07/25/25/653072525.db2.gz LNFMHVFIFVCMMD-AWEZNQCLSA-N 1 0 380.286 1.775 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000627366251 653073740 /nfs/dbraw/zinc/07/37/40/653073740.db2.gz MKURSUYNAJRQNP-GFCCVEGCSA-N 1 0 390.311 1.908 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627410182 653074611 /nfs/dbraw/zinc/07/46/11/653074611.db2.gz ZNPUMDSUYOSDLO-DYEKYZERSA-N 1 0 382.302 1.865 20 0 GDADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000627421151 653075038 /nfs/dbraw/zinc/07/50/38/653075038.db2.gz BTOSYLPNGWOIDI-IJLUTSLNSA-N 1 0 375.416 1.887 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)C[C@H]21 ZINC000627650997 653077109 /nfs/dbraw/zinc/07/71/09/653077109.db2.gz ZYQPKKUCVNVRCV-ATCWAGBWSA-N 1 0 376.254 1.923 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(Cn4cc(Br)cn4)on3)C[C@H]21 ZINC000627652866 653077248 /nfs/dbraw/zinc/07/72/48/653077248.db2.gz WECUXYKVKIGWJV-IMRBUKKESA-N 1 0 380.246 1.314 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000628103098 653089860 /nfs/dbraw/zinc/08/98/60/653089860.db2.gz TVLSHMWCAHDERP-JTQLQIEISA-N 1 0 379.766 1.480 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000628968720 653128613 /nfs/dbraw/zinc/12/86/13/653128613.db2.gz JYWHQULWBAIGHG-ZJIFWQFVSA-N 1 0 389.279 1.125 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)CN1CCC(=O)NC1=O)c1ccc(Cl)c(Cl)c1 ZINC000628968193 653128627 /nfs/dbraw/zinc/12/86/27/653128627.db2.gz FTNBPYOJNLARSK-ZDUSSCGKSA-N 1 0 387.267 1.654 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)CCNS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000628967958 653128766 /nfs/dbraw/zinc/12/87/66/653128766.db2.gz ATHOJARBHARNGX-ZDUSSCGKSA-N 1 0 382.313 1.652 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629173403 653135567 /nfs/dbraw/zinc/13/55/67/653135567.db2.gz RPYVMSMMDYJQFW-OAHLLOKOSA-N 1 0 393.285 1.740 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000629528264 653168779 /nfs/dbraw/zinc/16/87/79/653168779.db2.gz UVXLOTQZTZUQLV-JIMOISOXSA-N 1 0 376.320 1.888 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629544514 653171313 /nfs/dbraw/zinc/17/13/13/653171313.db2.gz OXLBLPIAZMAXOH-BETUJISGSA-N 1 0 383.290 1.252 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000629544490 653171330 /nfs/dbraw/zinc/17/13/30/653171330.db2.gz NQEJRKBBFKGBGC-INIZCTEOSA-N 1 0 383.290 1.396 20 0 GDADRO CS(=O)(=O)c1cccc(OCCN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629562538 653172225 /nfs/dbraw/zinc/17/22/25/653172225.db2.gz OGOUEEUNYSNENT-IUODEOHRSA-N 1 0 380.432 1.928 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629567265 653172796 /nfs/dbraw/zinc/17/27/96/653172796.db2.gz PRJIRPQMCUWIEQ-DZGCQCFKSA-N 1 0 379.448 1.896 20 0 GDADRO Cc1cc(N2CC[C@@H](NC[C@@H](O)C[NH+]3CCCC3)C2=O)ccc1Br ZINC000629576260 653175002 /nfs/dbraw/zinc/17/50/02/653175002.db2.gz WPAOUHDQEOTFRN-NVXWUHKLSA-N 1 0 396.329 1.909 20 0 GDADRO C[C@@H]1[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)CCS1(=O)=O ZINC000629605110 653176828 /nfs/dbraw/zinc/17/68/28/653176828.db2.gz ZKXYOSWYNGRQLR-ZWNOBZJWSA-N 1 0 375.288 1.943 20 0 GDADRO Cc1ncc(CN(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629792488 653182563 /nfs/dbraw/zinc/18/25/63/653182563.db2.gz PVLYYNGCYRADOX-ZYHUDNBSSA-N 1 0 378.420 1.396 20 0 GDADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000629798445 653182833 /nfs/dbraw/zinc/18/28/33/653182833.db2.gz KIMPLQKCMOPRMM-OAHLLOKOSA-N 1 0 385.917 1.390 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000629793207 653182952 /nfs/dbraw/zinc/18/29/52/653182952.db2.gz BGBIJXQUHVKRSE-UHFFFAOYSA-N 1 0 398.301 1.028 20 0 GDADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000629821306 653183812 /nfs/dbraw/zinc/18/38/12/653183812.db2.gz 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381.420 1.658 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Cl ZINC000655952208 653995965 /nfs/dbraw/zinc/99/59/65/653995965.db2.gz KGLCNPDGUOANQC-ZDUSSCGKSA-N 1 0 385.839 1.763 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655958053 653996373 /nfs/dbraw/zinc/99/63/73/653996373.db2.gz IIXKNNWYIFAVCA-JTQLQIEISA-N 1 0 398.179 1.792 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCOc2cccc(Br)c2C1 ZINC000655969602 653996673 /nfs/dbraw/zinc/99/66/73/653996673.db2.gz LHXPVSAWHXRWNR-GFCCVEGCSA-N 1 0 384.274 1.732 20 0 GDADRO O[C@@H]1C[C@H]2CN(Cc3cc(Br)c4c(c3)OCCCO4)CC[N@@H+]2C1 ZINC000656273025 654012490 /nfs/dbraw/zinc/01/24/90/654012490.db2.gz OSYIHLQEIGJUKL-UONOGXRCSA-N 1 0 383.286 1.861 20 0 GDADRO O[C@@H]1C[C@H]2CN(Cc3cnn(-c4ccc(Br)cc4)c3)CC[N@@H+]2C1 ZINC000656272829 654012766 /nfs/dbraw/zinc/01/27/66/654012766.db2.gz GOEZNURVPOLIKL-DLBZAZTESA-N 1 0 377.286 1.886 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656343785 654015187 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CO[C@H](CS(=O)(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000656980202 654084605 /nfs/dbraw/zinc/08/46/05/654084605.db2.gz DVOCWFQMWWLRML-QGZVFWFLSA-N 1 0 375.579 1.527 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)[NH+](C)C ZINC000657089752 654107375 /nfs/dbraw/zinc/10/73/75/654107375.db2.gz BIIKGOYTTIFGFC-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO COc1ncc(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1Cl ZINC000657070887 654107429 /nfs/dbraw/zinc/10/74/29/654107429.db2.gz BDTRKTTYJLFAKF-LBPRGKRZSA-N 1 0 378.926 1.294 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000657093601 654109738 /nfs/dbraw/zinc/10/97/38/654109738.db2.gz XOYKQIRJDUEZPM-CQSZACIVSA-N 1 0 391.559 1.847 20 0 GDADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000657790527 654164535 /nfs/dbraw/zinc/16/45/35/654164535.db2.gz TVCLBVDZGRDBPC-OAHLLOKOSA-N 1 0 388.237 1.018 20 0 GDADRO CCN(C(=O)C(=O)Nc1ccc(OC)cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000658354414 654185261 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Cc1nn(C)c(Cl)c1S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734244941 654531556 /nfs/dbraw/zinc/53/15/56/654531556.db2.gz ZPVPDCKQLPKRPK-CYBMUJFWSA-N 1 0 376.910 1.304 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000672376898 654556977 /nfs/dbraw/zinc/55/69/77/654556977.db2.gz PQFJNNPPOLLBCT-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc[nH]c(=O)c1Br ZINC000772278204 654558652 /nfs/dbraw/zinc/55/86/52/654558652.db2.gz PVTVCPILAPAHLF-LBPRGKRZSA-N 1 0 384.274 1.923 20 0 GDADRO Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](CO)C[NH+](C)C)cc1Cl ZINC000673519689 654576044 /nfs/dbraw/zinc/57/60/44/654576044.db2.gz DKWSATKDLQZJAH-GFCCVEGCSA-N 1 0 383.905 1.360 20 0 GDADRO COc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc(OC)c1Br ZINC000673530481 654576761 /nfs/dbraw/zinc/57/67/61/654576761.db2.gz HIOVDJOSOASDQI-GFCCVEGCSA-N 1 0 387.274 1.653 20 0 GDADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673532112 654576844 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GDADRO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000776896513 654709976 /nfs/dbraw/zinc/70/99/76/654709976.db2.gz NSPAKDJDTCJEPA-VXGBXAGGSA-N 1 0 378.516 1.222 20 0 GDADRO CC(C)(C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)NS(C)(=O)=O ZINC000680038237 654710170 /nfs/dbraw/zinc/71/01/70/654710170.db2.gz DYRKFEGXCNPUQY-GFCCVEGCSA-N 1 0 381.420 1.019 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCN1CCCC1=O ZINC000743503640 654717691 /nfs/dbraw/zinc/71/76/91/654717691.db2.gz IRDYENJIKZCFLF-CYBMUJFWSA-N 1 0 388.921 1.307 20 0 GDADRO Cc1n[nH]c(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000743764753 654720094 /nfs/dbraw/zinc/72/00/94/654720094.db2.gz FIHKNVDMUOXBLC-QGZVFWFLSA-N 1 0 393.285 1.847 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000681123768 654722929 /nfs/dbraw/zinc/72/29/29/654722929.db2.gz QWKRJYWGAUKDHC-PWSUYJOCSA-N 1 0 394.269 1.644 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc4ncsc4c3)CC2)C1 ZINC000681253468 654725454 /nfs/dbraw/zinc/72/54/54/654725454.db2.gz MZCDGGACEZASNZ-AWEZNQCLSA-N 1 0 380.539 1.697 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000681788856 654738436 /nfs/dbraw/zinc/73/84/36/654738436.db2.gz GSKNIZSAEIUWAM-CHWSQXEVSA-N 1 0 396.285 1.773 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000682354458 654751332 /nfs/dbraw/zinc/75/13/32/654751332.db2.gz CUTIPTYBSJOQOQ-NSHDSACASA-N 1 0 399.289 1.075 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000779033748 654753838 /nfs/dbraw/zinc/75/38/38/654753838.db2.gz PWDJIDMKRCRAFE-KGLIPLIRSA-N 1 0 377.551 1.987 20 0 GDADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000779093052 654754592 /nfs/dbraw/zinc/75/45/92/654754592.db2.gz KHVMENBFAGXLFT-LSDHHAIUSA-N 1 0 375.535 1.647 20 0 GDADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC000746133068 654754780 /nfs/dbraw/zinc/75/47/80/654754780.db2.gz BZCLHPXSPGBVCJ-ZDUSSCGKSA-N 1 0 383.901 1.979 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000746274185 654756821 /nfs/dbraw/zinc/75/68/21/654756821.db2.gz GRNBECFXQREGMD-FCONWMNKSA-N 1 0 383.539 1.130 20 0 GDADRO Cn1nnnc1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000682730770 654761204 /nfs/dbraw/zinc/76/12/04/654761204.db2.gz OTVUKMPJVIMYOH-UHFFFAOYSA-N 1 0 381.278 1.142 20 0 GDADRO COc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)ccc1Br ZINC000746800619 654767745 /nfs/dbraw/zinc/76/77/45/654767745.db2.gz CHPRVNWOHLSTNM-LLVKDONJSA-N 1 0 384.274 1.997 20 0 GDADRO CN(CC(=O)N1CCC[C@H]([NH+](C)C)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000683260449 654772453 /nfs/dbraw/zinc/77/24/53/654772453.db2.gz SFQYKEXHFIHQEM-LBPRGKRZSA-N 1 0 393.962 1.965 20 0 GDADRO Cc1c(C(=O)NCC[NH+]2CCCC2)cc(Br)cc1S(N)(=O)=O ZINC000747349750 654783223 /nfs/dbraw/zinc/78/32/23/654783223.db2.gz IRJPWORMXNLZJR-UHFFFAOYSA-N 1 0 390.303 1.231 20 0 GDADRO CC(C)(C)n1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Br)n1 ZINC000780447585 654784707 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GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c1F ZINC000780714779 654791868 /nfs/dbraw/zinc/79/18/68/654791868.db2.gz FQYOIUUHIQYHFL-NSHDSACASA-N 1 0 376.425 1.904 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2cccc(C(F)F)c2)C1 ZINC000780767730 654792664 /nfs/dbraw/zinc/79/26/64/654792664.db2.gz YPQSSTRFQGIJGC-ZDUSSCGKSA-N 1 0 375.441 1.490 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000747989852 654797285 /nfs/dbraw/zinc/79/72/85/654797285.db2.gz KQQSTPXYDFKAFM-UHFFFAOYSA-N 1 0 381.527 1.258 20 0 GDADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000684901062 654808108 /nfs/dbraw/zinc/80/81/08/654808108.db2.gz QVWDUONLIDNHRJ-UHFFFAOYSA-N 1 0 380.857 1.345 20 0 GDADRO CCCOC(=O)c1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000748651079 654808901 /nfs/dbraw/zinc/80/89/01/654808901.db2.gz BUYTWAQQSBTLBX-QGZVFWFLSA-N 1 0 386.539 1.969 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000685595352 654821758 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CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCS(C)(=O)=O)CC2(CCOCC2)C1 ZINC000707986053 654834138 /nfs/dbraw/zinc/83/41/38/654834138.db2.gz QUYWDTUUQOSHLT-CQSZACIVSA-N 1 0 376.519 1.427 20 0 GDADRO CCNS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000709384465 654834407 /nfs/dbraw/zinc/83/44/07/654834407.db2.gz IOSSDEOVDCTVKR-TUVASFSCSA-N 1 0 375.535 1.692 20 0 GDADRO COC[C@]1(C(=O)Nc2cccc(I)c2)C[NH2+]CCO1 ZINC000710782637 654834760 /nfs/dbraw/zinc/83/47/60/654834760.db2.gz IYLWYCLWCKLVQD-ZDUSSCGKSA-N 1 0 376.194 1.235 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2ccc(I)cc2)C[C@@H]1[NH3+] ZINC000720824799 654838101 /nfs/dbraw/zinc/83/81/01/654838101.db2.gz IBHGFWABECVKAA-NSHDSACASA-N 1 0 380.251 1.649 20 0 GDADRO CCC[C@H](C[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)OC ZINC000721742929 654839104 /nfs/dbraw/zinc/83/91/04/654839104.db2.gz ATWBDJFWMXTYMS-CABCVRRESA-N 1 0 378.535 1.815 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)[C@H](C)O1 ZINC000721741899 654839235 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C[C@H](NC(=S)NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccs1 ZINC000726466035 654853706 /nfs/dbraw/zinc/85/37/06/654853706.db2.gz QMYPBQMETJTMMG-HOTGVXAUSA-N 1 0 382.599 1.927 20 0 GDADRO CCC[NH+]1CCC(N(C)C(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000726475097 654854231 /nfs/dbraw/zinc/85/42/31/654854231.db2.gz GGOVNMIVEMLZSW-UHFFFAOYSA-N 1 0 384.571 1.515 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCCN2CCCS2(=O)=O)CC1 ZINC000783517149 654861436 /nfs/dbraw/zinc/86/14/36/654861436.db2.gz GRFSMKIGWZPYHI-OAHLLOKOSA-N 1 0 375.535 1.791 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)C(=S)NCCNS(C)(=O)=O ZINC000727071667 654864201 /nfs/dbraw/zinc/86/42/01/654864201.db2.gz FLPVXZJGPWQILS-UHFFFAOYSA-N 1 0 392.616 1.316 20 0 GDADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CC1 ZINC000750980387 654865871 /nfs/dbraw/zinc/86/58/71/654865871.db2.gz QYJMEKOALQEVJB-UHFFFAOYSA-N 1 0 375.878 1.674 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000727084087 654866761 /nfs/dbraw/zinc/86/67/61/654866761.db2.gz 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CS(=O)(=O)CCN1CCC([NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000840897437 655302228 /nfs/dbraw/zinc/30/22/28/655302228.db2.gz PUWMFHJMVSJIOF-UHFFFAOYSA-N 1 0 376.425 1.607 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000815745756 655303764 /nfs/dbraw/zinc/30/37/64/655303764.db2.gz MAECKUDRKLELSC-MRXNPFEDSA-N 1 0 381.274 1.645 20 0 GDADRO COc1cc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cnc1Cl ZINC000767800048 655305265 /nfs/dbraw/zinc/30/52/65/655305265.db2.gz WYCKKCKRQMGFLE-AWEZNQCLSA-N 1 0 390.937 1.294 20 0 GDADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841076674 655308416 /nfs/dbraw/zinc/30/84/16/655308416.db2.gz LRLIEFPOUDQUQD-OWCLPIDISA-N 1 0 377.535 1.767 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000841140744 655309898 /nfs/dbraw/zinc/30/98/98/655309898.db2.gz GGHBFKISPLAEGU-NSHDSACASA-N 1 0 384.278 1.471 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1ccc(Br)nc1 ZINC000841148440 655310395 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1.910 20 0 GDADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000818011854 655364569 /nfs/dbraw/zinc/36/45/69/655364569.db2.gz NMTUDFSCCSRIGF-ZDUSSCGKSA-N 1 0 379.258 1.661 20 0 GDADRO O=S(=O)(/C=C\c1ccc(Br)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000842482320 655367432 /nfs/dbraw/zinc/36/74/32/655367432.db2.gz UABBAQMCJNDNGP-DEBLGDTFSA-N 1 0 375.288 1.718 20 0 GDADRO O=S(=O)(/C=C/c1ccc(Br)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000842482323 655367448 /nfs/dbraw/zinc/36/74/48/655367448.db2.gz UABBAQMCJNDNGP-VIIAAUOXSA-N 1 0 375.288 1.718 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccc3ncc(I)n3c2)C[C@H]1C[NH3+] ZINC000842509312 655368448 /nfs/dbraw/zinc/36/84/48/655368448.db2.gz HZIYVZYBEWESMT-CMPLNLGQSA-N 1 0 398.248 1.996 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CCCO1 ZINC000842511411 655368549 /nfs/dbraw/zinc/36/85/49/655368549.db2.gz ZJPMVBAEJQEGCP-CYBMUJFWSA-N 1 0 387.889 1.070 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000842512526 655368589 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CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842690978 655371428 /nfs/dbraw/zinc/37/14/28/655371428.db2.gz IMXPBYKCHNBMBA-UHFFFAOYSA-N 1 0 386.417 1.353 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C2)c(Br)cc1F ZINC000842693189 655371553 /nfs/dbraw/zinc/37/15/53/655371553.db2.gz GOUJDMPQVYCHBL-ZETCQYMHSA-N 1 0 381.223 1.015 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000818292040 655371570 /nfs/dbraw/zinc/37/15/70/655371570.db2.gz GHFLVQSQSNNUAE-LBPRGKRZSA-N 1 0 385.917 1.852 20 0 GDADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)C1 ZINC000842701204 655372073 /nfs/dbraw/zinc/37/20/73/655372073.db2.gz RPTXEMSOUXFSHD-QMMMGPOBSA-N 1 0 393.694 1.720 20 0 GDADRO CC[NH2+]CCNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842704737 655372403 /nfs/dbraw/zinc/37/24/03/655372403.db2.gz VYNDPFTUOKAKTN-UHFFFAOYSA-N 1 0 381.683 1.638 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N(C)[C@H](C)C[NH3+])c1 ZINC000842718557 655373297 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1.340 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000842849980 655380842 /nfs/dbraw/zinc/38/08/42/655380842.db2.gz IPIRWSPFVFACBV-MRXNPFEDSA-N 1 0 387.527 1.411 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)s1 ZINC000842848338 655380844 /nfs/dbraw/zinc/38/08/44/655380844.db2.gz PYRXQQIILFVDPB-LBPRGKRZSA-N 1 0 397.316 1.657 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C(F)F ZINC000842849806 655380854 /nfs/dbraw/zinc/38/08/54/655380854.db2.gz FKEPUTCFATWOLV-OAHLLOKOSA-N 1 0 394.465 1.447 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)ccc1F ZINC000842863050 655381539 /nfs/dbraw/zinc/38/15/39/655381539.db2.gz FNBTYQRQLPOYHX-HAQNSBGRSA-N 1 0 378.491 1.273 20 0 GDADRO C[C@@](O)(C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1F ZINC000818947958 655382223 /nfs/dbraw/zinc/38/22/23/655382223.db2.gz VJTXFAWBYMRWCU-IINYFYTJSA-N 1 0 380.279 1.820 20 0 GDADRO C[C@H]1CN([C@@H](C[NH2+]CCS(C)(=O)=O)c2c(F)cccc2Cl)CCO1 ZINC000818957402 655382415 /nfs/dbraw/zinc/38/24/15/655382415.db2.gz RVEYVGROMNRSAI-WFASDCNBSA-N 1 0 378.897 1.875 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)N1CCSCC1 ZINC000819034453 655383553 /nfs/dbraw/zinc/38/35/53/655383553.db2.gz MNSPFDFUYRUFNL-CQSZACIVSA-N 1 0 382.910 1.481 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)N1CCSCC1 ZINC000819034451 655383559 /nfs/dbraw/zinc/38/35/59/655383559.db2.gz MNSPFDFUYRUFNL-AWEZNQCLSA-N 1 0 382.910 1.481 20 0 GDADRO CCNS(=O)(=O)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819042826 655383655 /nfs/dbraw/zinc/38/36/55/655383655.db2.gz MLGUFNMSXDKADA-ZDUSSCGKSA-N 1 0 399.738 1.839 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000819046106 655383834 /nfs/dbraw/zinc/38/38/34/655383834.db2.gz CEPQOPCPKIGVAC-UHFFFAOYSA-N 1 0 387.933 1.767 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819062749 655384409 /nfs/dbraw/zinc/38/44/09/655384409.db2.gz JCFLRZUJKOSPPK-AWEZNQCLSA-N 1 0 384.395 1.852 20 0 GDADRO 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O=C(c1snc(Cl)c1Cl)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000845911462 655438672 /nfs/dbraw/zinc/43/86/72/655438672.db2.gz RJOIESBRZVSKOV-UHFFFAOYSA-N 1 0 380.297 1.749 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000822520417 655446786 /nfs/dbraw/zinc/44/67/86/655446786.db2.gz AHRCKHUQEYZFST-SQWLQELKSA-N 1 0 386.949 1.731 20 0 GDADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CC3SC(=N)NC3=O)C2)s1 ZINC000846101418 655447402 /nfs/dbraw/zinc/44/74/02/655447402.db2.gz JLALCNQDYMVLBZ-TZMCWYRMSA-N 1 0 380.539 1.893 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC[C@@H]2CC2(Cl)Cl)cn1 ZINC000846180921 655449292 /nfs/dbraw/zinc/44/92/92/655449292.db2.gz XPKNRIWUEQGPCV-LLVKDONJSA-N 1 0 376.288 1.473 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000846250495 655450916 /nfs/dbraw/zinc/45/09/16/655450916.db2.gz MHJNEKSWCBYSGC-XKQJLSEDSA-N 1 0 377.888 1.377 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2cc(C)cnc2Br)CC1 ZINC000846319251 655452144 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CS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000825343041 655488043 /nfs/dbraw/zinc/48/80/43/655488043.db2.gz HWWRNLRDWYVTNQ-AWEZNQCLSA-N 1 0 377.304 1.496 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848350338 655488087 /nfs/dbraw/zinc/48/80/87/655488087.db2.gz PQORYPAHNZXQTR-JKSUJKDBSA-N 1 0 385.917 1.995 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cnn(C)c2I)C1 ZINC000825670469 655492312 /nfs/dbraw/zinc/49/23/12/655492312.db2.gz OYDDBQRZKOTFHQ-SNVBAGLBSA-N 1 0 376.242 1.627 20 0 GDADRO CS[C@@H]1CN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000826226621 655497078 /nfs/dbraw/zinc/49/70/78/655497078.db2.gz CUOWCGTXEISUKV-VXGBXAGGSA-N 1 0 381.531 1.234 20 0 GDADRO OCCCC[NH+]1CCN(c2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000826509903 655498432 /nfs/dbraw/zinc/49/84/32/655498432.db2.gz PGFGTZOPJBTQSY-UHFFFAOYSA-N 1 0 381.278 1.524 20 0 GDADRO CN(C)c1nc(Cl)c(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC000827013929 655504373 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1.889 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1csc(I)n1 ZINC000828151120 655519639 /nfs/dbraw/zinc/51/96/39/655519639.db2.gz ZHRDOBXNEKKCJT-UHFFFAOYSA-N 1 0 395.266 1.324 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)s1 ZINC000849428923 655533675 /nfs/dbraw/zinc/53/36/75/655533675.db2.gz GRXKFBOCDHHBQQ-MRVPVSSYSA-N 1 0 399.332 1.916 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000850590395 655559497 /nfs/dbraw/zinc/55/94/97/655559497.db2.gz HCWZQTHZBUFERU-ZIAGYGMSSA-N 1 0 386.880 1.945 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2SCCS2)cc1F ZINC000850696341 655565131 /nfs/dbraw/zinc/56/51/31/655565131.db2.gz GYKLQEXJLXOVQD-UHFFFAOYSA-N 1 0 387.502 1.627 20 0 GDADRO O=C(NCCSC(F)(F)F)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850801373 655568567 /nfs/dbraw/zinc/56/85/67/655568567.db2.gz OOQOGGRVARWDTA-GFCCVEGCSA-N 1 0 377.388 1.655 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850823566 655568916 /nfs/dbraw/zinc/56/89/16/655568916.db2.gz MLCNEHHRZKPFRD-VIFPVBQESA-N 1 0 382.877 1.346 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000850830129 655569355 /nfs/dbraw/zinc/56/93/55/655569355.db2.gz DEHKXPWNXXATNX-UHFFFAOYSA-N 1 0 397.195 1.997 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CCCC1 ZINC000850843301 655569905 /nfs/dbraw/zinc/56/99/05/655569905.db2.gz JMMXMRKPPBTHRW-UHFFFAOYSA-N 1 0 375.654 1.824 20 0 GDADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000850861522 655570465 /nfs/dbraw/zinc/57/04/65/655570465.db2.gz JGEAYLCPHYYMAH-HTQZYQBOSA-N 1 0 393.644 1.642 20 0 GDADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000851672487 655590199 /nfs/dbraw/zinc/59/01/99/655590199.db2.gz OVGQRALKINXSGN-CYBMUJFWSA-N 1 0 379.404 1.231 20 0 GDADRO CCS(=O)(=O)CCN(C)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000851871235 655601196 /nfs/dbraw/zinc/60/11/96/655601196.db2.gz NUXDXSBHSDFKDV-CQSZACIVSA-N 1 0 376.519 1.521 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000851899432 655603667 /nfs/dbraw/zinc/60/36/67/655603667.db2.gz WYTBMPBPAVPVOM-WFASDCNBSA-N 1 0 394.430 1.830 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000851955251 655604445 /nfs/dbraw/zinc/60/44/45/655604445.db2.gz CNVGDAIDGSUBDF-GHMZBOCLSA-N 1 0 376.312 1.571 20 0 GDADRO C[NH+](C)Cc1cccc(CNC(=O)NCCS(=O)(=O)CC(F)(F)F)c1 ZINC000851955018 655604497 /nfs/dbraw/zinc/60/44/97/655604497.db2.gz ZDIMQNASWDYGMK-UHFFFAOYSA-N 1 0 381.420 1.525 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852093014 655607699 /nfs/dbraw/zinc/60/76/99/655607699.db2.gz ZFOPQVUHTKXFIS-SWLSCSKDSA-N 1 0 375.300 1.572 20 0 GDADRO COC(=O)c1nc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1Cl ZINC000852181860 655609604 /nfs/dbraw/zinc/60/96/04/655609604.db2.gz GSNVZCOKEQWJIS-MRXNPFEDSA-N 1 0 386.905 1.758 20 0 GDADRO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337573 655612781 /nfs/dbraw/zinc/61/27/81/655612781.db2.gz UWGDIERKAGWPEN-DVVUODLYSA-N 1 0 385.096 1.738 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000852453871 655614442 /nfs/dbraw/zinc/61/44/42/655614442.db2.gz NAOXUFYPYYRECP-LBPRGKRZSA-N 1 0 379.404 1.036 20 0 GDADRO CS(=O)(=O)NCC[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600269 655618414 /nfs/dbraw/zinc/61/84/14/655618414.db2.gz GJSOFJXNHOECLG-CYBMUJFWSA-N 1 0 385.452 1.049 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852603013 655618561 /nfs/dbraw/zinc/61/85/61/655618561.db2.gz DMBGFHJAHWWUMA-CABCVRRESA-N 1 0 377.551 1.941 20 0 GDADRO CN(C(=O)c1cnn(-c2ccccc2)c1I)[C@H]1CC[NH2+]C1 ZINC000852796841 655622705 /nfs/dbraw/zinc/62/27/05/655622705.db2.gz HSIGBSCSTAHPMA-LBPRGKRZSA-N 1 0 396.232 1.911 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C2=NO[C@@H](C[NH3+])C2)ccc1Cl ZINC000852802281 655622905 /nfs/dbraw/zinc/62/29/05/655622905.db2.gz GOCTXPJKXQCVKB-LLVKDONJSA-N 1 0 388.877 1.413 20 0 GDADRO CC(C)(C)n1ncc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1Br ZINC000852818230 655623539 /nfs/dbraw/zinc/62/35/39/655623539.db2.gz GHQAVFBUHVINBK-GFCCVEGCSA-N 1 0 384.322 1.520 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000852858155 655624143 /nfs/dbraw/zinc/62/41/43/655624143.db2.gz RTGCFJLNVGWAQM-UHFFFAOYSA-N 1 0 383.901 1.688 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)=NO1 ZINC000852861574 655624644 /nfs/dbraw/zinc/62/46/44/655624644.db2.gz GGXJULFJDPPOEC-BXUZGUMPSA-N 1 0 381.274 1.495 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000852896952 655625678 /nfs/dbraw/zinc/62/56/78/655625678.db2.gz KDLNAYIJPHTKIJ-UPJWGTAASA-N 1 0 385.306 1.992 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000852919463 655628270 /nfs/dbraw/zinc/62/82/70/655628270.db2.gz YHPDXGSXINLFQK-UHFFFAOYSA-N 1 0 388.693 1.794 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000852920067 655628305 /nfs/dbraw/zinc/62/83/05/655628305.db2.gz JTMPLYAJJCZIKO-SECBINFHSA-N 1 0 378.292 1.037 20 0 GDADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)NC[C@@H]1CSCCS1 ZINC000853844989 655651794 /nfs/dbraw/zinc/65/17/94/655651794.db2.gz VSBGHYFZRVNCJU-IAGOWNOFSA-N 1 0 381.567 1.901 20 0 GDADRO OC1(c2ccc(Br)cc2)CN(c2cc(N3CCOCC3)ncn2)C1 ZINC000853973056 655655018 /nfs/dbraw/zinc/65/50/18/655655018.db2.gz SUBJPNFKCXZPSK-UHFFFAOYSA-N 1 0 391.269 1.784 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000853990521 655655354 /nfs/dbraw/zinc/65/53/54/655655354.db2.gz PGCVKDSSGOSLJZ-NSHDSACASA-N 1 0 383.294 1.673 20 0 GDADRO COc1nc(-c2noc(-c3c[nH]nc3[C@@H]3CC[NH2+]C3)n2)ncc1Br ZINC000854148579 655657608 /nfs/dbraw/zinc/65/76/08/655657608.db2.gz HQZSVPUWRPJUMD-SSDOTTSWSA-N 1 0 392.217 1.765 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1ccc(I)cc1 ZINC000854226408 655658771 /nfs/dbraw/zinc/65/87/71/655658771.db2.gz BNFLVPFKGFUNKO-UONOGXRCSA-N 1 0 388.249 1.717 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000854465677 655667428 /nfs/dbraw/zinc/66/74/28/655667428.db2.gz SVJOLIHHFMYEEI-ZDUSSCGKSA-N 1 0 375.535 1.158 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1c(Br)nc2n1CCC2 ZINC000854642087 655673155 /nfs/dbraw/zinc/67/31/55/655673155.db2.gz IOQOERDAPAIRCS-NEPJUHHUSA-N 1 0 383.290 1.527 20 0 GDADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000854650980 655673472 /nfs/dbraw/zinc/67/34/72/655673472.db2.gz BKIKVPPRKFSFJN-LRDDRELGSA-N 1 0 385.917 1.899 20 0 GDADRO C[NH+](C)CC1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000854723495 655675145 /nfs/dbraw/zinc/67/51/45/655675145.db2.gz ADXHKXUAGVXUTJ-UHFFFAOYSA-N 1 0 385.917 1.758 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1CCNC1=O ZINC000854988660 655683430 /nfs/dbraw/zinc/68/34/30/655683430.db2.gz DWTMGOKEWMCOHR-GFCCVEGCSA-N 1 0 383.290 1.522 20 0 GDADRO CCN(C(=O)c1ccc(Br)c(S(N)(=O)=O)c1)[C@H]1CC[N@H+](C)C1 ZINC000855360074 655692702 /nfs/dbraw/zinc/69/27/02/655692702.db2.gz BLXAGRAEBCIKKP-NSHDSACASA-N 1 0 390.303 1.263 20 0 GDADRO CCN(C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000855363970 655692705 /nfs/dbraw/zinc/69/27/05/655692705.db2.gz WXPOXIDKMSNYAG-OLZOCXBDSA-N 1 0 388.921 1.345 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000855415959 655693763 /nfs/dbraw/zinc/69/37/63/655693763.db2.gz DCFDANPQPHAFQT-UHFFFAOYSA-N 1 0 377.457 1.296 20 0 GDADRO CNS(=O)(=O)CC[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000856744741 655716570 /nfs/dbraw/zinc/71/65/70/655716570.db2.gz USOQOFSUIDOREN-OAHLLOKOSA-N 1 0 375.535 1.505 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2c(Br)nc3n2CCOC3)CCOCC1 ZINC000857126136 655728366 /nfs/dbraw/zinc/72/83/66/655728366.db2.gz SYHDSFZJNJTPBR-UHFFFAOYSA-N 1 0 387.278 1.016 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857140057 655728885 /nfs/dbraw/zinc/72/88/85/655728885.db2.gz WZXXUPIDDXJUGF-LBPRGKRZSA-N 1 0 385.306 1.980 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(Br)nc2n1CCOC2 ZINC000857148344 655729172 /nfs/dbraw/zinc/72/91/72/655729172.db2.gz BLUMGFMVQQTZIA-NSHDSACASA-N 1 0 389.294 1.262 20 0 GDADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1c(Br)nc2n1CCOC2 ZINC000857194128 655730506 /nfs/dbraw/zinc/73/05/06/655730506.db2.gz CRLWJAHEGOBYHR-GFCCVEGCSA-N 1 0 383.290 1.923 20 0 GDADRO C[NH+](C)C1CC(NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000857231611 655731548 /nfs/dbraw/zinc/73/15/48/655731548.db2.gz PGZZUHRMULMUPG-UHFFFAOYSA-N 1 0 394.324 1.871 20 0 GDADRO C[C@@H]1CN(C(=O)c2c(Br)nc3n2CCOC3)CC[N@@H+](C2CC2)C1 ZINC000857272593 655732986 /nfs/dbraw/zinc/73/29/86/655732986.db2.gz JDIGDKVAMIYQMU-NSHDSACASA-N 1 0 383.290 1.732 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857714477 655739813 /nfs/dbraw/zinc/73/98/13/655739813.db2.gz PPABLLSNMWVTQL-VXGBXAGGSA-N 1 0 383.290 1.732 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000858497439 655748736 /nfs/dbraw/zinc/74/87/36/655748736.db2.gz GGKHMGWIRSOKET-RBSFLKMASA-N 1 0 375.535 1.836 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1)C(F)(F)F ZINC000858612614 655750329 /nfs/dbraw/zinc/75/03/29/655750329.db2.gz MPHYPDDLZNHORP-SNVBAGLBSA-N 1 0 387.330 1.463 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000858615734 655750429 /nfs/dbraw/zinc/75/04/29/655750429.db2.gz WGGCDFSOOWYIEN-GHMZBOCLSA-N 1 0 379.404 1.793 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)/C=C\c2ccccc2Br)CCOCC1 ZINC000858622705 655750820 /nfs/dbraw/zinc/75/08/20/655750820.db2.gz JQVJBAQYFHAZMA-YHYXMXQVSA-N 1 0 375.288 1.847 20 0 GDADRO [NH3+]CC1(NS(=O)(=O)/C=C\c2ccc(Br)cc2)CCOCC1 ZINC000858630202 655751390 /nfs/dbraw/zinc/75/13/90/655751390.db2.gz OIAMNFOIYJEHQZ-YHYXMXQVSA-N 1 0 375.288 1.847 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCOC(=O)N1 ZINC000858862731 655754159 /nfs/dbraw/zinc/75/41/59/655754159.db2.gz QCRTYSVLTURINM-AWEZNQCLSA-N 1 0 384.274 1.838 20 0 GDADRO COC1CC(C[NH+]2CCC(n3nncc3I)CC2)C1 ZINC000859353098 655778083 /nfs/dbraw/zinc/77/80/83/655778083.db2.gz ZRXLXRPQHRFLJL-UHFFFAOYSA-N 1 0 376.242 1.945 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N(C)C[C@@H](C)[NH3+])c1 ZINC000859670411 655788560 /nfs/dbraw/zinc/78/85/60/655788560.db2.gz SCINYDBXWSSPSM-MRVPVSSYSA-N 1 0 391.209 1.889 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OC[C@@H]1CCC[N@@H+]1CCOC ZINC000861034027 655812468 /nfs/dbraw/zinc/81/24/68/655812468.db2.gz CZBWPZWCUINENW-HOTGVXAUSA-N 1 0 376.519 1.235 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC[NH+]1CCC1 ZINC000861388321 655820676 /nfs/dbraw/zinc/82/06/76/655820676.db2.gz RRXUFQIBKOZFGW-NSHDSACASA-N 1 0 380.388 1.621 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861541545 655825400 /nfs/dbraw/zinc/82/54/00/655825400.db2.gz DLOGZZFCQTUCQU-SSDOTTSWSA-N 1 0 390.209 1.119 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000861540174 655825444 /nfs/dbraw/zinc/82/54/44/655825444.db2.gz SIFMUTSZXXAMFW-JTQLQIEISA-N 1 0 380.246 1.379 20 0 GDADRO C[NH2+]CCOCCNC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000861677550 655828070 /nfs/dbraw/zinc/82/80/70/655828070.db2.gz SBEJTWQIVRPQOV-HNNXBMFYSA-N 1 0 386.290 1.768 20 0 GDADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713571 655828823 /nfs/dbraw/zinc/82/88/23/655828823.db2.gz CZFCPIQHPMSFEN-CHWSQXEVSA-N 1 0 377.794 1.964 20 0 GDADRO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861719872 655829133 /nfs/dbraw/zinc/82/91/33/655829133.db2.gz QCFACXYJOHNWOR-RYUDHWBXSA-N 1 0 383.290 1.263 20 0 GDADRO CC[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000861756068 655830096 /nfs/dbraw/zinc/83/00/96/655830096.db2.gz XZNQMHRPFXARBK-STQMWFEESA-N 1 0 384.318 1.940 20 0 GDADRO C[C@]1(CCNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[C@]1(F)Cl ZINC000861781373 655830625 /nfs/dbraw/zinc/83/06/25/655830625.db2.gz UCMBBQQLRHIGPU-TXFQPVFDSA-N 1 0 387.805 1.793 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3Cl)C[C@H]21 ZINC000861910440 655833503 /nfs/dbraw/zinc/83/35/03/655833503.db2.gz MPPDRBWWZDAVCV-FOLVSLTJSA-N 1 0 383.901 1.512 20 0 GDADRO CSc1nc2ccc(NC(=O)C(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2s1 ZINC000862205493 655841898 /nfs/dbraw/zinc/84/18/98/655841898.db2.gz KVLFLKVQBLFKDN-NSHDSACASA-N 1 0 380.495 1.140 20 0 GDADRO COCC[NH+](CCOC)C1CCN(Cc2cn(C)nc2Br)CC1 ZINC000862365877 655845129 /nfs/dbraw/zinc/84/51/29/655845129.db2.gz ZLUJYCNRFIMFFS-UHFFFAOYSA-N 1 0 389.338 1.742 20 0 GDADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CS1(=O)=O ZINC000862414188 655846063 /nfs/dbraw/zinc/84/60/63/655846063.db2.gz PDKDTOOPRTVENG-MGPQQGTHSA-N 1 0 376.519 1.914 20 0 GDADRO C[NH+](C)CCNC(=S)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000863244221 655863949 /nfs/dbraw/zinc/86/39/49/655863949.db2.gz CYTFJOFBFVSLKX-RVMXOQNASA-N 1 0 378.464 1.154 20 0 GDADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000863321868 655865943 /nfs/dbraw/zinc/86/59/43/655865943.db2.gz GWXCGFRJUJAREA-HUUCEWRRSA-N 1 0 395.301 1.465 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000863449911 655873518 /nfs/dbraw/zinc/87/35/18/655873518.db2.gz AJTTZANZYCRLTA-IWIIMEHWSA-N 1 0 393.278 1.777 20 0 GDADRO C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863545491 655875273 /nfs/dbraw/zinc/87/52/73/655875273.db2.gz TYHVOOFTMRJXBW-UMVBOHGHSA-N 1 0 389.543 1.203 20 0 GDADRO C[C@@H]([NH3+])CN(C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000863570731 655875904 /nfs/dbraw/zinc/87/59/04/655875904.db2.gz ZGAGDAUTPXGZJB-GFCCVEGCSA-N 1 0 389.363 1.434 20 0 GDADRO COc1cc(/C=C\C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc(Br)c1O ZINC000863829311 655882633 /nfs/dbraw/zinc/88/26/33/655882633.db2.gz GHBUDGOODOCFNN-DLGQBQFBSA-N 1 0 385.258 1.359 20 0 GDADRO Cn1nc(I)cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000864587968 655902866 /nfs/dbraw/zinc/90/28/66/655902866.db2.gz NJFNEQAPRFRLSF-UHFFFAOYSA-N 1 0 376.242 1.631 20 0 GDADRO COCC[NH+]1CCC(Nc2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865466102 655920418 /nfs/dbraw/zinc/92/04/18/655920418.db2.gz AYIRPSAOPHSOOZ-UHFFFAOYSA-N 1 0 392.319 1.619 20 0 GDADRO C[C@@H](CNc1ccc(Br)cc1S(N)(=O)=O)N1CC[NH+](C)CC1 ZINC000865501658 655920832 /nfs/dbraw/zinc/92/08/32/655920832.db2.gz ASZZYAIDWYUXIQ-NSHDSACASA-N 1 0 391.335 1.144 20 0 GDADRO CC(=O)NCC1CCC([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)CC1 ZINC000865506644 655920899 /nfs/dbraw/zinc/92/08/99/655920899.db2.gz VOWUHHRRWJOLGD-UHFFFAOYSA-N 1 0 387.571 1.928 20 0 GDADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CC1CN(S(C)(=O)=O)C1)CC(F)(F)F ZINC000865533382 655921310 /nfs/dbraw/zinc/92/13/10/655921310.db2.gz HEKGXCYAHBKJRD-NSHDSACASA-N 1 0 389.440 1.313 20 0 GDADRO CCn1cnc2c1nc(Cl)nc2Sc1nnnn1C[C@H]1CC[N@H+](C)C1 ZINC000865621032 655923161 /nfs/dbraw/zinc/92/31/61/655923161.db2.gz VWEWRRBNIPGUNH-VIFPVBQESA-N 1 0 379.881 1.589 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]Cc3cccc(I)c3)COCCN12 ZINC000865771039 655926210 /nfs/dbraw/zinc/92/62/10/655926210.db2.gz RENMBSPKJZGNSV-CQSZACIVSA-N 1 0 388.205 1.602 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2nc(Br)sc2Cl)CC1 ZINC000865791577 655926752 /nfs/dbraw/zinc/92/67/52/655926752.db2.gz DNQFPUKOIJZGRQ-UHFFFAOYSA-N 1 0 381.727 1.926 20 0 GDADRO C[C@@H](CNC(=O)c1nc(Br)sc1Cl)N1CC[NH+](C)CC1 ZINC000865816216 655927707 /nfs/dbraw/zinc/92/77/07/655927707.db2.gz BZYUWRCKLZUBJE-QMMMGPOBSA-N 1 0 381.727 1.925 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)cc1Br ZINC000865856559 655928603 /nfs/dbraw/zinc/92/86/03/655928603.db2.gz HHQZPWPXXBRYLE-KGLIPLIRSA-N 1 0 375.288 1.898 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(I)nn1C ZINC000866047275 655933799 /nfs/dbraw/zinc/93/37/99/655933799.db2.gz XTXMQFWRJZVAIU-ZJUUUORDSA-N 1 0 376.242 1.437 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(c3cnn(-c4ccccn4)c(=O)c3Br)CC[C@@H]21 ZINC000866205743 655936121 /nfs/dbraw/zinc/93/61/21/655936121.db2.gz ACYOUTBQERHXEW-OLZOCXBDSA-N 1 0 390.285 1.920 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866394448 655939774 /nfs/dbraw/zinc/93/97/74/655939774.db2.gz UPOYFBNKSYJWJQ-LLVKDONJSA-N 1 0 379.404 1.950 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cn1ccc(Br)cc1=O ZINC000866491522 655946921 /nfs/dbraw/zinc/94/69/21/655946921.db2.gz UFYPKNHJSKAUMF-UHFFFAOYSA-N 1 0 382.258 1.794 20 0 GDADRO COc1cc(C=O)c(Br)cc1OS(=O)(=O)CCC[NH+](C)C ZINC000866640581 655952104 /nfs/dbraw/zinc/95/21/04/655952104.db2.gz JXOVQAVKZFZIJF-UHFFFAOYSA-N 1 0 380.260 1.931 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000866680352 655954020 /nfs/dbraw/zinc/95/40/20/655954020.db2.gz FWIQOSBFZNQHKW-UHFFFAOYSA-N 1 0 379.324 1.583 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)nc1F ZINC000866688465 655954719 /nfs/dbraw/zinc/95/47/19/655954719.db2.gz QPQKSAKBCWJOLB-UHFFFAOYSA-N 1 0 395.884 1.768 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2ccc(Br)cc2F)C1 ZINC000866708674 655955777 /nfs/dbraw/zinc/95/57/77/655955777.db2.gz NKRVVGXZMLLYJJ-CFVMTHIKSA-N 1 0 384.249 1.955 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2ncc(Br)cc2F)C1 ZINC000866711145 655956027 /nfs/dbraw/zinc/95/60/27/655956027.db2.gz CUCRELHTFABRGG-GDLCADMTSA-N 1 0 385.237 1.350 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CCO1 ZINC000866742681 655957994 /nfs/dbraw/zinc/95/79/94/655957994.db2.gz BZGUYBJTWCIZEX-CABZTGNLSA-N 1 0 389.271 1.932 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(Br)n1 ZINC000866763891 655960222 /nfs/dbraw/zinc/96/02/22/655960222.db2.gz JBXODORGTLDKQZ-NSHDSACASA-N 1 0 377.308 1.193 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Br)n1 ZINC000866769790 655961090 /nfs/dbraw/zinc/96/10/90/655961090.db2.gz PKCINOYHZZRYKL-WDEREUQCSA-N 1 0 377.308 1.478 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3Cl)C2)nn1 ZINC000866770704 655961402 /nfs/dbraw/zinc/96/14/02/655961402.db2.gz CDHQHXTYUMMUAG-CQSZACIVSA-N 1 0 387.868 1.696 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CCCO1 ZINC000866771245 655961447 /nfs/dbraw/zinc/96/14/47/655961447.db2.gz CCFAHMHJIDFHBI-SNVBAGLBSA-N 1 0 389.271 1.934 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2nc[nH]c2Br)C[C@H]1c1ccccc1F ZINC000866771218 655961486 /nfs/dbraw/zinc/96/14/86/655961486.db2.gz BPPAQDOMQORXPU-GXSJLCMTSA-N 1 0 389.250 1.427 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c(Br)n1 ZINC000866775517 655962016 /nfs/dbraw/zinc/96/20/16/655962016.db2.gz GOTYGJJZDGCLQU-LBPRGKRZSA-N 1 0 391.335 1.583 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)Cc1cc(C)ccc1Br ZINC000866779573 655962751 /nfs/dbraw/zinc/96/27/51/655962751.db2.gz PQUCYHZLKLSOEW-UHFFFAOYSA-N 1 0 379.320 1.755 20 0 GDADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)nc1F ZINC000866791904 655964207 /nfs/dbraw/zinc/96/42/07/655964207.db2.gz NJNRQNASNHUKKL-GFCCVEGCSA-N 1 0 377.869 1.796 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000866808898 655966114 /nfs/dbraw/zinc/96/61/14/655966114.db2.gz CRMLWSXOWIECJL-UHFFFAOYSA-N 1 0 377.913 1.878 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H]([NH3+])C2)c(Br)cc1F ZINC000866808212 655966116 /nfs/dbraw/zinc/96/61/16/655966116.db2.gz CVGYTPQSKFAMBP-ZKCHVHJHSA-N 1 0 395.250 1.390 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000866816649 655966640 /nfs/dbraw/zinc/96/66/40/655966640.db2.gz FSTBGNWRBJRNIL-FZZIBODNSA-N 1 0 389.836 1.035 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21)C(F)F ZINC000866820267 655966930 /nfs/dbraw/zinc/96/69/30/655966930.db2.gz PHDDMEKAZSUWCP-VXGBXAGGSA-N 1 0 394.465 1.446 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2nc[nH]c2Br)Cc2ccccc2C1 ZINC000866865418 655971679 /nfs/dbraw/zinc/97/16/79/655971679.db2.gz ODEKNRMBNUSQNJ-UHFFFAOYSA-N 1 0 399.314 1.550 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cc(Cl)cnc1Cl)CN1CC[NH+](C)CC1 ZINC000866874461 655972585 /nfs/dbraw/zinc/97/25/85/655972585.db2.gz QIBBIDQPURYKPS-LLVKDONJSA-N 1 0 381.329 1.550 20 0 GDADRO CN1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)c2c[nH+]ccc21 ZINC000866937521 655979334 /nfs/dbraw/zinc/97/93/34/655979334.db2.gz GZWVBYNHCKIAST-XMMPIXPASA-N 1 0 384.458 1.879 20 0 GDADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866966190 655982583 /nfs/dbraw/zinc/98/25/83/655982583.db2.gz YGWFURMLPVZDGL-LLVKDONJSA-N 1 0 379.404 1.902 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000867003055 655986119 /nfs/dbraw/zinc/98/61/19/655986119.db2.gz DFPDKINXDIYNFF-CQSZACIVSA-N 1 0 395.319 1.190 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CC2(F)F)C[C@@H]1[NH+](C)C ZINC000867019966 655988014 /nfs/dbraw/zinc/98/80/14/655988014.db2.gz CRIFVHHIIGYCOS-RWSFTLGLSA-N 1 0 379.473 1.793 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000867032810 655989425 /nfs/dbraw/zinc/98/94/25/655989425.db2.gz WBTCNDJTGBOEHU-ILXRZTDVSA-N 1 0 398.400 1.858 20 0 GDADRO CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)C1CC1 ZINC000867032061 655989502 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C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000867242062 656020770 /nfs/dbraw/zinc/02/07/70/656020770.db2.gz YQWWIHZYKRGYRS-KGLIPLIRSA-N 1 0 384.373 1.469 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867288491 656031753 /nfs/dbraw/zinc/03/17/53/656031753.db2.gz UNNGNIJLFMILNA-GOEBONIOSA-N 1 0 394.313 1.960 20 0 GDADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000867308434 656035360 /nfs/dbraw/zinc/03/53/60/656035360.db2.gz JLDLAEDVJGKUSQ-ZWNOBZJWSA-N 1 0 379.404 1.901 20 0 GDADRO Cn1nc(I)cc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000867405550 656055049 /nfs/dbraw/zinc/05/50/49/656055049.db2.gz AGZZKLOHYQLZLR-UHFFFAOYSA-N 1 0 390.269 1.877 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000867442614 656061868 /nfs/dbraw/zinc/06/18/68/656061868.db2.gz VEATYBNNHRGXIZ-HNNXBMFYSA-N 1 0 395.301 1.547 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1Br ZINC000867478612 656067763 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COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cccc(Br)n1)C2 ZINC000926091954 656735387 /nfs/dbraw/zinc/73/53/87/656735387.db2.gz VCHXTJHDQXCDFT-WMFXKJRFSA-N 1 0 383.246 1.588 20 0 GDADRO [NH3+]C1CCN(CCNC(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000926115261 656736904 /nfs/dbraw/zinc/73/69/04/656736904.db2.gz FGVBHNDRPBKGGH-UHFFFAOYSA-N 1 0 393.289 1.937 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)n(C)n1)C2 ZINC000926147581 656738295 /nfs/dbraw/zinc/73/82/95/656738295.db2.gz LSQSKSYBQREXHI-NCZKRNLISA-N 1 0 385.306 1.392 20 0 GDADRO CC(C)C[NH2+]C1(CO)CCN(C[C@@H](O)c2cc(Br)no2)CC1 ZINC000878670884 656740742 /nfs/dbraw/zinc/74/07/42/656740742.db2.gz SOEIVNKRLPKCEC-GFCCVEGCSA-N 1 0 376.295 1.543 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000926193630 656740861 /nfs/dbraw/zinc/74/08/61/656740861.db2.gz OOFPQXLXOSFFIJ-VIFPVBQESA-N 1 0 383.246 1.983 20 0 GDADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000926286300 656744070 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377.551 1.892 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cscc2Br)CC[C@@H]1C[NH3+] ZINC000926404884 656752407 /nfs/dbraw/zinc/75/24/07/656752407.db2.gz LHDDTMGALKMQCI-GHMZBOCLSA-N 1 0 388.331 1.912 20 0 GDADRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000926407324 656752849 /nfs/dbraw/zinc/75/28/49/656752849.db2.gz CGUZCGVCRUGFCL-QWRGUYRKSA-N 1 0 394.324 1.919 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cs1)C(N)=O ZINC000878859880 656753711 /nfs/dbraw/zinc/75/37/11/656753711.db2.gz UGPIRWKMVLWYMZ-JSGCOSHPSA-N 1 0 384.571 1.842 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)C1 ZINC000926433273 656754629 /nfs/dbraw/zinc/75/46/29/656754629.db2.gz QCQKMAYTBXRRNM-QGZVFWFLSA-N 1 0 398.276 1.670 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)CC2 ZINC000926440670 656756016 /nfs/dbraw/zinc/75/60/16/656756016.db2.gz VLJVDHIPVYVSKS-BLLLJJGKSA-N 1 0 394.313 1.838 20 0 GDADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000878916051 656758589 /nfs/dbraw/zinc/75/85/89/656758589.db2.gz RQEAPDHZZMJOGF-DZGCQCFKSA-N 1 0 385.555 1.386 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cs1)C(N)=O ZINC000879184547 656780460 /nfs/dbraw/zinc/78/04/60/656780460.db2.gz ODRVWGATXUZAEP-SCRDCRAPSA-N 1 0 382.555 1.594 20 0 GDADRO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000926955146 656782441 /nfs/dbraw/zinc/78/24/41/656782441.db2.gz YGUNGIBDVSOPNJ-ZDUSSCGKSA-N 1 0 376.544 1.658 20 0 GDADRO C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(OC(F)F)cc1OC(F)F ZINC000927023747 656787095 /nfs/dbraw/zinc/78/70/95/656787095.db2.gz AGRYZTVXOHLDHE-RKDXNWHRSA-N 1 0 389.367 1.946 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000927025224 656787212 /nfs/dbraw/zinc/78/72/12/656787212.db2.gz FAASJFJPSCSRIX-IUODEOHRSA-N 1 0 376.906 1.072 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)CS(C)(=O)=O 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CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)cc1Br ZINC000927888857 656851382 /nfs/dbraw/zinc/85/13/82/656851382.db2.gz YGNAOZJPJFGSAF-LLVKDONJSA-N 1 0 384.274 1.984 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)ncc1Br ZINC000927927326 656854622 /nfs/dbraw/zinc/85/46/22/656854622.db2.gz KKOINYZWMBYKAF-INIZCTEOSA-N 1 0 381.274 1.836 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cn(C)nc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000880052941 656858834 /nfs/dbraw/zinc/85/88/34/656858834.db2.gz ZIKQMGPTFOOPPS-OCCSQVGLSA-N 1 0 399.337 1.672 20 0 GDADRO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)nc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000880097597 656868992 /nfs/dbraw/zinc/86/89/92/656868992.db2.gz WDKNMIBYKBHSFX-CKYFFXLPSA-N 1 0 379.404 1.443 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1nccn2c(Br)cnc12 ZINC000928091043 656869261 /nfs/dbraw/zinc/86/92/61/656869261.db2.gz OQQKYQBPIAFIEN-MNOVXSKESA-N 1 0 396.314 1.801 20 0 GDADRO CS(=O)(=O)Nc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1F ZINC000928098439 656873200 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O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cnn2cc(Br)cnc12 ZINC000885880648 657583379 /nfs/dbraw/zinc/58/33/79/657583379.db2.gz VYPWEOZLTGGJQK-CYBMUJFWSA-N 1 0 394.273 1.475 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1c(Br)nc2n1CCC2 ZINC000885888837 657584311 /nfs/dbraw/zinc/58/43/11/657584311.db2.gz QVMLIOALQRVING-LBPRGKRZSA-N 1 0 383.290 1.575 20 0 GDADRO Cn1ccn2c(CC[NH2+]Cc3nc(Cl)ccc3Br)nnc2c1=O ZINC000886282879 657634921 /nfs/dbraw/zinc/63/49/21/657634921.db2.gz YSFIDTSHCCKUPB-UHFFFAOYSA-N 1 0 397.664 1.571 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000886322227 657643104 /nfs/dbraw/zinc/64/31/04/657643104.db2.gz TWCNSKPQYTUNSI-UHFFFAOYSA-N 1 0 387.303 1.610 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2nc(Cl)cs2)C3)C1 ZINC000999573266 657663395 /nfs/dbraw/zinc/66/33/95/657663395.db2.gz SGCGMHNMQKPDNF-RNJOBUHISA-N 1 0 382.917 2.000 20 0 GDADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000886883645 657716070 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COCCOc1ccc(F)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886898153 657724791 /nfs/dbraw/zinc/72/47/91/657724791.db2.gz SKUUGKLFAZLXOT-LLVKDONJSA-N 1 0 382.404 1.374 20 0 GDADRO COC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)[C@@H]1CCCOC1 ZINC000886908154 657727005 /nfs/dbraw/zinc/72/70/05/657727005.db2.gz OKJTYOGCLAHGDM-TZMCWYRMSA-N 1 0 396.289 1.956 20 0 GDADRO Cc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1NS(C)(=O)=O ZINC000886934118 657727853 /nfs/dbraw/zinc/72/78/53/657727853.db2.gz MJQMZFROICBQOW-NSHDSACASA-N 1 0 376.429 1.733 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000887001333 657734327 /nfs/dbraw/zinc/73/43/27/657734327.db2.gz ULYMSFQWNZFAOT-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4scnc4Cl)[C@@H]3C2)CC[N@@H+]1C ZINC001021722028 657740358 /nfs/dbraw/zinc/74/03/58/657740358.db2.gz JXZFIXLDLKLGFI-YVECIDJPSA-N 1 0 382.917 1.810 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)Nc1cc(F)ccc1Br ZINC000887034452 657740377 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GDADRO CC[NH+](CC)CCSCC(=O)N[C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000891001017 658176881 /nfs/dbraw/zinc/17/68/81/658176881.db2.gz XKJBPBDQVULVRP-LBPRGKRZSA-N 1 0 387.937 1.606 20 0 GDADRO CN(C)S(=O)(=O)C1(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)CC1 ZINC000891040229 658181493 /nfs/dbraw/zinc/18/14/93/658181493.db2.gz PSKILPAVZAWVJL-UHFFFAOYSA-N 1 0 388.559 1.245 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)C(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC000891053430 658183037 /nfs/dbraw/zinc/18/30/37/658183037.db2.gz DVNGHMCCUVOXSG-UHFFFAOYSA-N 1 0 376.567 1.420 20 0 GDADRO C[NH+](C)C1(C(=O)N[C@H](CO)c2ccccc2I)CCC1 ZINC000891322060 658223968 /nfs/dbraw/zinc/22/39/68/658223968.db2.gz MRJQJIFZECNAET-CYBMUJFWSA-N 1 0 388.249 1.925 20 0 GDADRO CC[C@@H](C(=O)N[C@H](CO)c1ccccc1I)[NH+](C)C ZINC000891323096 658226048 /nfs/dbraw/zinc/22/60/48/658226048.db2.gz XCNWVFYKFYGHBQ-OLZOCXBDSA-N 1 0 376.238 1.781 20 0 GDADRO CC(C)[C@@H](CNC(=O)NCc1ncc(Br)cn1)[NH+]1CCN(C)CC1 ZINC000891751616 658269525 /nfs/dbraw/zinc/26/95/25/658269525.db2.gz BCKKUYMDASSAIH-CQSZACIVSA-N 1 0 399.337 1.310 20 0 GDADRO Cn1cc(Br)c(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000891937129 658285426 /nfs/dbraw/zinc/28/54/26/658285426.db2.gz YVKBEDKDSOVPIO-NSHDSACASA-N 1 0 386.294 1.141 20 0 GDADRO [NH3+]C[C@H](NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1)C1CC1 ZINC000892023303 658291788 /nfs/dbraw/zinc/29/17/88/658291788.db2.gz IKQGUJNPDNJCAS-HNNXBMFYSA-N 1 0 395.301 1.540 20 0 GDADRO C[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000892210929 658308687 /nfs/dbraw/zinc/30/86/87/658308687.db2.gz SKGOYTIGRHIZKZ-UHFFFAOYSA-N 1 0 394.269 1.581 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000892227658 658311300 /nfs/dbraw/zinc/31/13/00/658311300.db2.gz JKRMHXBCCRQEKJ-ZFWWWQNUSA-N 1 0 395.301 1.524 20 0 GDADRO CN1CCN(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)[C@@H](C[NH3+])C1 ZINC000892321684 658317120 /nfs/dbraw/zinc/31/71/20/658317120.db2.gz DVTSCKSAAHRCOC-GCOQZVFPSA-N 1 0 379.302 1.372 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000892361481 658321379 /nfs/dbraw/zinc/32/13/79/658321379.db2.gz ZQUJJCXBDMYJMO-GXFFZTMASA-N 1 0 398.305 1.737 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)NCCSCCC(F)(F)F)C2)nn1 ZINC000892542307 658332217 /nfs/dbraw/zinc/33/22/17/658332217.db2.gz MIAANGPEJFVMIT-LBPRGKRZSA-N 1 0 380.440 1.769 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)C1 ZINC000892553704 658332781 /nfs/dbraw/zinc/33/27/81/658332781.db2.gz STDYNPTYCBWTIY-DDTOSNHZSA-N 1 0 381.274 1.369 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000892566484 658333675 /nfs/dbraw/zinc/33/36/75/658333675.db2.gz JJMWVFWUNUMEJZ-AVGNSLFASA-N 1 0 388.281 1.776 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)C1 ZINC000892564656 658333689 /nfs/dbraw/zinc/33/36/89/658333689.db2.gz BITWDYGLSVIOBA-CTYIDZIISA-N 1 0 395.301 1.540 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000892582920 658334174 /nfs/dbraw/zinc/33/41/74/658334174.db2.gz KQGMLEZKKPURCA-XYPYZODXSA-N 1 0 392.934 1.155 20 0 GDADRO CCN(CCC[NH2+]Cc1ccc(C(F)(F)F)nc1N(C)C)S(C)(=O)=O ZINC000892650544 658339303 /nfs/dbraw/zinc/33/93/03/658339303.db2.gz XQWAMMWGAOZCGC-UHFFFAOYSA-N 1 0 382.452 1.928 20 0 GDADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000892697829 658344028 /nfs/dbraw/zinc/34/40/28/658344028.db2.gz VGVOLDOVVJFERB-VXGBXAGGSA-N 1 0 380.919 1.031 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)NCc2ncc(Cl)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000892712103 658345783 /nfs/dbraw/zinc/34/57/83/658345783.db2.gz RBGGPRDZRMPKAV-RYUDHWBXSA-N 1 0 385.921 1.586 20 0 GDADRO CCS(=O)(=O)NCC[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000892721455 658346122 /nfs/dbraw/zinc/34/61/22/658346122.db2.gz RKERMPBMBAWNFR-UHFFFAOYSA-N 1 0 378.292 1.436 20 0 GDADRO CN(CCn1cc(Br)cn1)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892879956 658357326 /nfs/dbraw/zinc/35/73/26/658357326.db2.gz WDMXHCNHESRTNU-UHFFFAOYSA-N 1 0 399.318 1.671 20 0 GDADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)C[C@@H]1C(F)(F)F ZINC000892880811 658358293 /nfs/dbraw/zinc/35/82/93/658358293.db2.gz KHSQYJZLVRLBCJ-UTUOFQBUSA-N 1 0 388.452 1.814 20 0 GDADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000892921852 658360248 /nfs/dbraw/zinc/36/02/48/658360248.db2.gz DMOMNXPZYVDQSB-ZBFHGGJFSA-N 1 0 388.555 1.427 20 0 GDADRO CCn1cc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)nn1 ZINC000893086432 658376878 /nfs/dbraw/zinc/37/68/78/658376878.db2.gz PRLODSKFPCOFLZ-UHFFFAOYSA-N 1 0 383.543 1.866 20 0 GDADRO CC(C)(C)OC(=O)NCCN1CCC([NH2+]CC(C)(C)S(C)(=O)=O)CC1 ZINC000893097403 658377824 /nfs/dbraw/zinc/37/78/24/658377824.db2.gz MLGNQQPCZRHMTG-UHFFFAOYSA-N 1 0 377.551 1.388 20 0 GDADRO CS(=O)(=O)C1CC([NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000893123306 658379198 /nfs/dbraw/zinc/37/91/98/658379198.db2.gz GKNMBXKLPUKWRA-OPFPJEHXSA-N 1 0 381.416 1.901 20 0 GDADRO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1ncc(Br)cc1O ZINC000893171508 658382846 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O=C(NCCOC(F)(F)C(F)(F)F)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000896297532 658765612 /nfs/dbraw/zinc/76/56/12/658765612.db2.gz ULFZCWMBWRCSLW-WDEREUQCSA-N 1 0 375.338 1.399 20 0 GDADRO O=C(NCCOC(F)(F)C(F)(F)F)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896297530 658765650 /nfs/dbraw/zinc/76/56/50/658765650.db2.gz ULFZCWMBWRCSLW-QWRGUYRKSA-N 1 0 375.338 1.399 20 0 GDADRO CCOc1cc(C[NH2+]C[C@@]2(CO)COCCN2C)cc(Br)c1O ZINC000896458023 658780417 /nfs/dbraw/zinc/78/04/17/658780417.db2.gz LORVSZCRUBGIPW-MRXNPFEDSA-N 1 0 389.290 1.336 20 0 GDADRO C[C@H](NC(=O)c1nn(C(C)(C)C)cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896534182 658785732 /nfs/dbraw/zinc/78/57/32/658785732.db2.gz SQPKFYPXSYWRIC-WCQYABFASA-N 1 0 386.338 1.765 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)c2c[nH]nc2I)CC1 ZINC000896680399 658800757 /nfs/dbraw/zinc/80/07/57/658800757.db2.gz VUTISSXYZACJGK-UHFFFAOYSA-N 1 0 376.242 1.866 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 ZINC000896681401 658800814 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20 0 GDADRO C[C@H]1CC[N@H+](CCNC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)C1 ZINC000897472938 658855720 /nfs/dbraw/zinc/85/57/20/658855720.db2.gz UQTVSQPLXXCASX-GXFFZTMASA-N 1 0 396.289 1.348 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897530656 658861493 /nfs/dbraw/zinc/86/14/93/658861493.db2.gz OLINQXXOOVFGOY-CYBMUJFWSA-N 1 0 387.933 1.989 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000897558750 658864130 /nfs/dbraw/zinc/86/41/30/658864130.db2.gz AWGRIAWSVNGUSX-NSHDSACASA-N 1 0 386.315 1.822 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)C[C@@H]2C1 ZINC000897800642 658891488 /nfs/dbraw/zinc/89/14/88/658891488.db2.gz ADXRCPPFSCYFHI-DVOMOZLQSA-N 1 0 393.281 1.941 20 0 GDADRO CN(C[C@H](O)c1ccccc1Br)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897938479 658901736 /nfs/dbraw/zinc/90/17/36/658901736.db2.gz SAFMCDPPRBYLBL-CJNGLKHVSA-N 1 0 383.286 1.662 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000898067407 658913349 /nfs/dbraw/zinc/91/33/49/658913349.db2.gz FKUQECJSHIMSJQ-DYVFJYSZSA-N 1 0 398.301 1.694 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cs1)C(N)=O ZINC000898100251 658915949 /nfs/dbraw/zinc/91/59/49/658915949.db2.gz AXMSNJOFMXSVGQ-YNEHKIRRSA-N 1 0 384.571 1.887 20 0 GDADRO C[C@@H]1CN(C(=O)NCc2ncc(Br)cn2)CC[N@@H+]1CC(C)(C)O ZINC000898392629 658932457 /nfs/dbraw/zinc/93/24/57/658932457.db2.gz VPABPTSKUMXXGL-LLVKDONJSA-N 1 0 386.294 1.226 20 0 GDADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)CCS2(=O)=O ZINC000898486385 658937448 /nfs/dbraw/zinc/93/74/48/658937448.db2.gz CQRWQQAGNYTKNA-YEKTVRQBSA-N 1 0 394.331 1.649 20 0 GDADRO COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000898486795 658937553 /nfs/dbraw/zinc/93/75/53/658937553.db2.gz FZUATLXIOJGEAN-DIODGJHASA-N 1 0 375.531 1.926 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC([NH+]3CCCC3)C2)c1I ZINC000898598718 658941416 /nfs/dbraw/zinc/94/14/16/658941416.db2.gz UQBLQZZHRGIJHA-UHFFFAOYSA-N 1 0 388.253 1.989 20 0 GDADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1cn(C[C@@H]3CCOC3)nn1)CC2 ZINC000898719676 658951948 /nfs/dbraw/zinc/95/19/48/658951948.db2.gz HPPIIDFDTWDOJS-RYUDHWBXSA-N 1 0 381.278 1.378 20 0 GDADRO Brc1cnc2n1C[C@H]([NH2+]Cc1cn(Cc3cccnc3)nn1)CC2 ZINC000898723568 658952591 /nfs/dbraw/zinc/95/25/91/658952591.db2.gz GKDUWPRQRHRPAO-CYBMUJFWSA-N 1 0 388.273 1.785 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1=O ZINC000899926517 659067722 /nfs/dbraw/zinc/06/77/22/659067722.db2.gz MUGVSYZZHXHBKP-CYBMUJFWSA-N 1 0 398.301 1.521 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000900013908 659083310 /nfs/dbraw/zinc/08/33/10/659083310.db2.gz BNFVSIRSUXSAPS-ZDUSSCGKSA-N 1 0 396.289 1.578 20 0 GDADRO C[C@@H](CNC(=O)CSc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000900203483 659091714 /nfs/dbraw/zinc/09/17/14/659091714.db2.gz CFJDAUKVUOPRQA-KBPBESRZSA-N 1 0 385.555 1.663 20 0 GDADRO C[NH+](C)C[C@@H]1NC(=O)N(c2ccnn2Cc2ccccc2Br)C1=O ZINC000900213021 659092304 /nfs/dbraw/zinc/09/23/04/659092304.db2.gz NQCCUHCYEFRYRM-ZDUSSCGKSA-N 1 0 392.257 1.680 20 0 GDADRO CS(=O)(=O)N1CC(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000900436974 659106996 /nfs/dbraw/zinc/10/69/96/659106996.db2.gz RVOBYSYNHXAVSF-UHFFFAOYSA-N 1 0 383.539 1.108 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)Cn1nc(Br)c(Br)n1 ZINC000900562069 659121422 /nfs/dbraw/zinc/12/14/22/659121422.db2.gz VJJXTWZHHWQCFL-UHFFFAOYSA-N 1 0 395.099 1.357 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900685634 659136754 /nfs/dbraw/zinc/13/67/54/659136754.db2.gz GYGDTIORJRFAAR-LBPRGKRZSA-N 1 0 395.305 1.248 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)CSc1ccc(S(N)(=O)=O)cc1)C(C)(C)C ZINC000900736015 659142010 /nfs/dbraw/zinc/14/20/10/659142010.db2.gz VYURTGUZZBMMFL-OAHLLOKOSA-N 1 0 387.571 1.909 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2I)C[C@H]1C ZINC000900802474 659146958 /nfs/dbraw/zinc/14/69/58/659146958.db2.gz VDPZDEFOXFIUDM-MNOVXSKESA-N 1 0 390.269 1.970 20 0 GDADRO C[C@H](NC(=O)COc1ccc(C=O)cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000900811699 659149224 /nfs/dbraw/zinc/14/92/24/659149224.db2.gz NETAQPFJEOBSLJ-WFASDCNBSA-N 1 0 398.301 1.391 20 0 GDADRO C[C@@H](NC(=O)c1cnc(Cl)c(Br)c1)[C@H]1C[N@H+](C)CCN1C ZINC000900811025 659149243 /nfs/dbraw/zinc/14/92/43/659149243.db2.gz JRBYGQUTVLTSMI-BXKDBHETSA-N 1 0 375.698 1.862 20 0 GDADRO C[C@@H](NC(=O)c1cnc(Cl)c(Br)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000900811032 659149325 /nfs/dbraw/zinc/14/93/25/659149325.db2.gz JRBYGQUTVLTSMI-SKDRFNHKSA-N 1 0 375.698 1.862 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2I)[C@H](C)C1 ZINC000900816105 659149693 /nfs/dbraw/zinc/14/96/93/659149693.db2.gz BNYTVVVWAAJWAE-KOLCDFICSA-N 1 0 376.242 1.817 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cnc(CC2CC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000900980558 659176545 /nfs/dbraw/zinc/17/65/45/659176545.db2.gz MRGMDIMQFYHFDB-CQSZACIVSA-N 1 0 385.555 1.677 20 0 GDADRO CN(C(=O)C1C[NH+]([C@H]2CCOC2)C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000901314689 659209586 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C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903187236 659299427 /nfs/dbraw/zinc/29/94/27/659299427.db2.gz YWCDVDQSOOOAGW-ZYHUDNBSSA-N 1 0 378.376 1.283 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000903226799 659305811 /nfs/dbraw/zinc/30/58/11/659305811.db2.gz OWFRVFKPBWOTAF-CJNGLKHVSA-N 1 0 392.518 1.940 20 0 GDADRO CC1(C)C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)CN1Cc1ccccc1 ZINC000903227799 659306353 /nfs/dbraw/zinc/30/63/53/659306353.db2.gz VJUBUIWHJXQYJZ-INIZCTEOSA-N 1 0 387.571 1.687 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000903227785 659306574 /nfs/dbraw/zinc/30/65/74/659306574.db2.gz UVDUFKSURJLXSO-NVXWUHKLSA-N 1 0 387.571 1.544 20 0 GDADRO O=S(=O)(Cc1cccc(Cl)c1Br)NCCN1CC[NH2+]CC1 ZINC000903511475 659321636 /nfs/dbraw/zinc/32/16/36/659321636.db2.gz VEWUUINIVHTNFG-UHFFFAOYSA-N 1 0 396.738 1.427 20 0 GDADRO COc1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1OC ZINC000903512475 659322136 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COc1cc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000903529608 659330917 /nfs/dbraw/zinc/33/09/17/659330917.db2.gz MMIAZNWTYHWLPW-GMSGAONNSA-N 1 0 383.695 1.997 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])ccc1Cl ZINC000903536240 659332342 /nfs/dbraw/zinc/33/23/42/659332342.db2.gz BFQRTKZGWBBSGZ-NHYWBVRUSA-N 1 0 392.930 1.636 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000903537912 659332809 /nfs/dbraw/zinc/33/28/09/659332809.db2.gz GXOUPKUPGQBRHB-UHFFFAOYSA-N 1 0 386.367 1.853 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])ccc1F ZINC000903537611 659332935 /nfs/dbraw/zinc/33/29/35/659332935.db2.gz XKWIAIHBPAGSFI-ABAIWWIYSA-N 1 0 376.475 1.121 20 0 GDADRO [NH3+][C@H]1CN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC[C@H]1C(F)(F)F ZINC000903542264 659334636 /nfs/dbraw/zinc/33/46/36/659334636.db2.gz RJRKAPULSOUQOP-CABCVRRESA-N 1 0 377.432 1.839 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000903543219 659334654 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GDADRO CCn1c2ccc(S(=O)(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cc2oc1=O ZINC000903572189 659345045 /nfs/dbraw/zinc/34/50/45/659345045.db2.gz HCXKBNJRJULNAY-NXEZZACHSA-N 1 0 379.360 1.125 20 0 GDADRO CCOC(=O)c1ccc(CS(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903572528 659345139 /nfs/dbraw/zinc/34/51/39/659345139.db2.gz VTCWMQMKZJRYFE-CHWSQXEVSA-N 1 0 380.388 1.515 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccnc2OCC(F)F)C[C@H]1C(F)(F)F ZINC000903573031 659345646 /nfs/dbraw/zinc/34/56/46/659345646.db2.gz NJPFYEVDVOXOEP-HTQZYQBOSA-N 1 0 375.319 1.236 20 0 GDADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903578782 659349919 /nfs/dbraw/zinc/34/99/19/659349919.db2.gz JMDNWFZDJYJVQQ-ONGXEEELSA-N 1 0 384.351 1.513 20 0 GDADRO CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903579791 659350410 /nfs/dbraw/zinc/35/04/10/659350410.db2.gz QLGGFOHSDUDDCL-QLFBSQMISA-N 1 0 380.432 1.785 20 0 GDADRO COC(=O)c1ccc(F)cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903580365 659351095 /nfs/dbraw/zinc/35/10/95/659351095.db2.gz UIYREPZXVYSKKK-GHMZBOCLSA-N 1 0 384.351 1.513 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C2 ZINC000903580107 659351181 /nfs/dbraw/zinc/35/11/81/659351181.db2.gz UAQFIPITABGELK-AXFHLTTASA-N 1 0 398.428 1.480 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903583653 659353326 /nfs/dbraw/zinc/35/33/26/659353326.db2.gz CDCJJWWXRJNNQL-LBPRGKRZSA-N 1 0 380.388 1.850 20 0 GDADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903589219 659355965 /nfs/dbraw/zinc/35/59/65/659355965.db2.gz VLWWOLZQNJGAHJ-QVQLBTGDSA-N 1 0 377.507 1.904 20 0 GDADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593694 659357492 /nfs/dbraw/zinc/35/74/92/659357492.db2.gz SKGOBOPIUBZLIJ-HNNXBMFYSA-N 1 0 387.299 1.901 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c1)C(F)(F)F ZINC000903609771 659361647 /nfs/dbraw/zinc/36/16/47/659361647.db2.gz OSDRGZQTTQLQAI-HZMBPMFUSA-N 1 0 377.388 1.608 20 0 GDADRO O=S(=O)(N[C@]12CCC[C@H]1C[NH2+]C2)c1ccccc1S(=O)(=O)C(F)F ZINC000903609434 659361711 /nfs/dbraw/zinc/36/17/11/659361711.db2.gz DUJDKFPPUTYQAS-HZMBPMFUSA-N 1 0 380.438 1.103 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCc3c(Cl)cccc3C2)C[C@H]1C(F)(F)F ZINC000903743603 659378435 /nfs/dbraw/zinc/37/84/35/659378435.db2.gz UXXSBCNZPHAUIV-DGCLKSJQSA-N 1 0 375.778 1.573 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903754783 659379136 /nfs/dbraw/zinc/37/91/36/659379136.db2.gz QAVJWVXWSZRWJY-CQSZACIVSA-N 1 0 382.302 1.912 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCSC[C@@H]2c2nccs2)C[C@H]1C(F)(F)F ZINC000903759680 659379456 /nfs/dbraw/zinc/37/94/56/659379456.db2.gz VUFLYXSGQBLGNY-OPRDCNLKSA-N 1 0 394.444 1.108 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)C[C@@H]1C(F)(F)F ZINC000903777096 659380176 /nfs/dbraw/zinc/38/01/76/659380176.db2.gz RHFNEQTVAGNGQN-HRDYMLBCSA-N 1 0 393.353 1.088 20 0 GDADRO Ic1cnn2c1CN(C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903788792 659380419 /nfs/dbraw/zinc/38/04/19/659380419.db2.gz QJEWKYMNTMIXGN-SMDDNHRTSA-N 1 0 388.253 1.072 20 0 GDADRO O=C1NCCN(C[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(I)cc1 ZINC000903827816 659382526 /nfs/dbraw/zinc/38/25/26/659382526.db2.gz XTKOCCADVMYURV-ZIAGYGMSSA-N 1 0 385.249 1.516 20 0 GDADRO O=C(CNC(=O)CN1CCC[C@@]12CC[NH2+]C2)Nc1ccccc1Br ZINC000903864070 659385437 /nfs/dbraw/zinc/38/54/37/659385437.db2.gz GUTIIWKRVIRTOW-KRWDZBQOSA-N 1 0 395.301 1.332 20 0 GDADRO O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]21 ZINC000903870844 659386110 /nfs/dbraw/zinc/38/61/10/659386110.db2.gz LKQNWAVNWVAJFR-LJISPDSOSA-N 1 0 382.448 1.197 20 0 GDADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903970259 659391527 /nfs/dbraw/zinc/39/15/27/659391527.db2.gz SXWDVBMGSRZVCZ-CJNGLKHVSA-N 1 0 376.469 1.975 20 0 GDADRO Brc1cnn(Cc2noc(-c3ccnc(N4CC[NH2+]CC4)c3)n2)c1 ZINC000904096411 659395417 /nfs/dbraw/zinc/39/54/17/659395417.db2.gz HTDKJAYIWAPXGT-UHFFFAOYSA-N 1 0 390.245 1.549 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000904347469 659399359 /nfs/dbraw/zinc/39/93/59/659399359.db2.gz GSQSSQYMAZCYJU-NSHDSACASA-N 1 0 376.866 1.164 20 0 GDADRO COCCOc1ccc(NC(=O)N2CCO[C@@H](C[NH3+])C2)cc1Br ZINC000904550143 659403894 /nfs/dbraw/zinc/40/38/94/659403894.db2.gz BPNBNFXMQREUDS-LBPRGKRZSA-N 1 0 388.262 1.666 20 0 GDADRO C[C@H]1COCC[C@H]1c1noc(-c2cc(Br)cn(CC[NH3+])c2=O)n1 ZINC000904713706 659406727 /nfs/dbraw/zinc/40/67/27/659406727.db2.gz WCGXXGZIQSOCCH-GXSJLCMTSA-N 1 0 383.246 1.760 20 0 GDADRO O[C@H](C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)C[C@@]1(O)CCOC1 ZINC000905068313 659420247 /nfs/dbraw/zinc/42/02/47/659420247.db2.gz NIJOUVSFKZQMOD-WBAXXEDZSA-N 1 0 399.329 1.767 20 0 GDADRO O[C@H](C[NH2+][C@H]1CCN(c2ccccc2Br)C1)C1(O)CCOCC1 ZINC000905102171 659424123 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GDADRO CN(C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)C1(C[NH3+])CCOCC1 ZINC000911073321 659993412 /nfs/dbraw/zinc/99/34/12/659993412.db2.gz RUUOBOKNHHCUIK-UHFFFAOYSA-N 1 0 388.295 1.618 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NCc1ccccc1Br ZINC000911088667 659993944 /nfs/dbraw/zinc/99/39/44/659993944.db2.gz UQDWQUBNNPZAQB-SUMWQHHRSA-N 1 0 380.286 1.795 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC000911098856 659994249 /nfs/dbraw/zinc/99/42/49/659994249.db2.gz HKOUGPJVJMIBGL-TZMCWYRMSA-N 1 0 382.302 1.551 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)cc1Br ZINC000911171210 659997090 /nfs/dbraw/zinc/99/70/90/659997090.db2.gz FXJTUZHCEVLCGL-QGZVFWFLSA-N 1 0 396.285 1.428 20 0 GDADRO Cc1ccc(C[C@H](C)NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)s1 ZINC000911159866 659997146 /nfs/dbraw/zinc/99/71/46/659997146.db2.gz UHVPDAIEDFDLBY-XDTLVQLUSA-N 1 0 377.432 1.842 20 0 GDADRO COc1ccc(CNC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000911173281 659997355 /nfs/dbraw/zinc/99/73/55/659997355.db2.gz XEQNCPKRRYUWKQ-DGCLKSJQSA-N 1 0 398.301 1.436 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000911175781 659997471 /nfs/dbraw/zinc/99/74/71/659997471.db2.gz JLVUOAXRHJPAHG-CQSZACIVSA-N 1 0 394.313 1.711 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)Sc1ccccc1 ZINC000911204892 659998366 /nfs/dbraw/zinc/99/83/66/659998366.db2.gz ADSOEVHJEYUEHH-RAIGVLPGSA-N 1 0 375.416 1.631 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NCCCCCC2CC[NH2+]CC2)s1 ZINC000911199074 659998456 /nfs/dbraw/zinc/99/84/56/659998456.db2.gz JXXQMYJHTDVFJH-UHFFFAOYSA-N 1 0 385.559 1.552 20 0 GDADRO CC(C)(C)c1csc(CNC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)n1 ZINC000911235459 659999554 /nfs/dbraw/zinc/99/95/54/659999554.db2.gz FFHIZQXEMJQLQG-RKDXNWHRSA-N 1 0 378.420 1.405 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)NC1CC[NH2+]CC1)CC2 ZINC000911270437 660001136 /nfs/dbraw/zinc/00/11/36/660001136.db2.gz NQZJWCJLKNYVES-UHFFFAOYSA-N 1 0 380.286 1.510 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC000911268150 660001143 /nfs/dbraw/zinc/00/11/43/660001143.db2.gz VYNYFOUVCNNAIH-UHFFFAOYSA-N 1 0 398.276 1.589 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911275723 660001446 /nfs/dbraw/zinc/00/14/46/660001446.db2.gz NJZJDRVKNZGLEA-ZDUSSCGKSA-N 1 0 382.302 1.532 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000911280546 660001616 /nfs/dbraw/zinc/00/16/16/660001616.db2.gz LGWKQUADAYDANK-KBPBESRZSA-N 1 0 382.302 1.802 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000911282050 660001774 /nfs/dbraw/zinc/00/17/74/660001774.db2.gz MPCWQAMPXKAJQH-AWEZNQCLSA-N 1 0 381.274 1.376 20 0 GDADRO O=C(NCc1ccccc1SC(F)(F)F)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000911344578 660004095 /nfs/dbraw/zinc/00/40/95/660004095.db2.gz AKRXBYCYJIBZTO-NSHDSACASA-N 1 0 377.388 1.019 20 0 GDADRO O=C(NCc1ncc(Br)s1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911359932 660004965 /nfs/dbraw/zinc/00/49/65/660004965.db2.gz GEWHISGDDYOJEF-SECBINFHSA-N 1 0 375.292 1.170 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2sccc2Br)CC[C@@H]1C[NH3+] ZINC000911364932 660005340 /nfs/dbraw/zinc/00/53/40/660005340.db2.gz IXPWFXPNFXJBLV-GHMZBOCLSA-N 1 0 388.331 1.613 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Cl)n1 ZINC000911365616 660005521 /nfs/dbraw/zinc/00/55/21/660005521.db2.gz MMHSYGQUPQDBSH-QWRGUYRKSA-N 1 0 378.782 1.398 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000911370356 660005705 /nfs/dbraw/zinc/00/57/05/660005705.db2.gz XXXNFIMLQCBOPW-LERXQTSPSA-N 1 0 381.274 1.232 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000911424296 660007201 /nfs/dbraw/zinc/00/72/01/660007201.db2.gz YQHIVBAGMRXMRZ-YVEFUNNKSA-N 1 0 396.285 1.142 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3c(Br)ccc(Cl)c3C2)CC1 ZINC000911504489 660009094 /nfs/dbraw/zinc/00/90/94/660009094.db2.gz YOKWDAXVEZYQAK-UHFFFAOYSA-N 1 0 386.677 1.595 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000911555753 660010559 /nfs/dbraw/zinc/01/05/59/660010559.db2.gz CRZXNKZBHFBHSI-LALPHHSUSA-N 1 0 396.285 1.203 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000911559389 660010769 /nfs/dbraw/zinc/01/07/69/660010769.db2.gz DITZGEJITCNXCW-CQDKDKBSSA-N 1 0 396.285 1.203 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cs1)C(N)=O ZINC000911579537 660011441 /nfs/dbraw/zinc/01/14/41/660011441.db2.gz FGRKSTUYLBNFLM-YUTCNCBUSA-N 1 0 382.555 1.785 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC000911581717 660011632 /nfs/dbraw/zinc/01/16/32/660011632.db2.gz NLUXRGYBDBHROS-WDEREUQCSA-N 1 0 386.265 1.648 20 0 GDADRO O=C(NCc1ccc(Br)cc1F)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911584353 660011747 /nfs/dbraw/zinc/01/17/47/660011747.db2.gz ZTVHBSLWNNVRIY-OLZOCXBDSA-N 1 0 384.249 1.557 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)NCc1ccc(Br)cc1F ZINC000911583328 660011864 /nfs/dbraw/zinc/01/18/64/660011864.db2.gz WIBJUDZHZCFKKI-BZNIZROVSA-N 1 0 384.249 1.544 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2I)C1 ZINC000911636295 660013074 /nfs/dbraw/zinc/01/30/74/660013074.db2.gz VOOUAVPYGNRTDZ-SMDDNHRTSA-N 1 0 387.265 1.749 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H](N)c2ccccc2I)CC1 ZINC000911761439 660018069 /nfs/dbraw/zinc/01/80/69/660018069.db2.gz PVPSJUTXIGSMFD-IINYFYTJSA-N 1 0 387.265 1.877 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)Nc1ccc(SC(F)F)cc1 ZINC000911884398 660020271 /nfs/dbraw/zinc/02/02/71/660020271.db2.gz YNBVCBMDDNTENL-WQAKAFBOSA-N 1 0 376.450 1.963 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2Br)CCO1 ZINC000911882785 660020347 /nfs/dbraw/zinc/02/03/47/660020347.db2.gz WOGUWOJGOFKCGS-YGRLFVJLSA-N 1 0 380.246 1.218 20 0 GDADRO O=C(N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C12CCC(CC1)[NH2+]2 ZINC000911972922 660022797 /nfs/dbraw/zinc/02/27/97/660022797.db2.gz BIUMRFGTKPNFSM-UHFFFAOYSA-N 1 0 383.901 1.458 20 0 GDADRO CN(Cc1ccc(Cl)cc1Cl)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC000912016659 660024297 /nfs/dbraw/zinc/02/42/97/660024297.db2.gz MBVAQTHEOXUANS-UXIGCNINSA-N 1 0 391.320 1.975 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000912041116 660025086 /nfs/dbraw/zinc/02/50/86/660025086.db2.gz UTCFWJATMOAOIR-BLLLJJGKSA-N 1 0 384.274 1.267 20 0 GDADRO C[C@@](CO)(NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000912175082 660028965 /nfs/dbraw/zinc/02/89/65/660028965.db2.gz VAVHZYPLZLLGPY-SFHVURJKSA-N 1 0 397.313 1.884 20 0 GDADRO [NH3+]CCn1cc(Br)cc(C(=O)N2CCc3sccc3C2)c1=O ZINC000912186660 660029164 /nfs/dbraw/zinc/02/91/64/660029164.db2.gz RXSWPNDMKKPPTA-UHFFFAOYSA-N 1 0 382.283 1.830 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)NCc1ccc(Br)cc1 ZINC000912205874 660029508 /nfs/dbraw/zinc/02/95/08/660029508.db2.gz QPTXEGHYRWBXKZ-XBFCOCLRSA-N 1 0 387.299 1.088 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)N1CCSC[C@H]1c1ccccc1 ZINC000912275227 660031398 /nfs/dbraw/zinc/03/13/98/660031398.db2.gz JFFGBZXFZWOWRW-LTIDMASMSA-N 1 0 380.535 1.326 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)Nc1ccc(F)c(Br)c1 ZINC000912271918 660031451 /nfs/dbraw/zinc/03/14/51/660031451.db2.gz GZWKZMAPZQARIP-JQEORGNBSA-N 1 0 391.262 1.549 20 0 GDADRO Cc1c(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@H]32)cccc1C(F)(F)F ZINC000912280468 660031629 /nfs/dbraw/zinc/03/16/29/660031629.db2.gz LVOUQONAXLTXMT-SUNKGSAMSA-N 1 0 376.400 1.975 20 0 GDADRO C[N@H+](CCNc1ccc(-c2nnc(Br)o2)cc1)CCOCCO ZINC000912331028 660033107 /nfs/dbraw/zinc/03/31/07/660033107.db2.gz GGGADEAVAMUXIO-UHFFFAOYSA-N 1 0 385.262 1.852 20 0 GDADRO COCc1ccccc1CNC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912350020 660033470 /nfs/dbraw/zinc/03/34/70/660033470.db2.gz BEJGGTGTGARWLL-UHFFFAOYSA-N 1 0 394.269 1.646 20 0 GDADRO COc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)nc1I ZINC000912914086 660059723 /nfs/dbraw/zinc/05/97/23/660059723.db2.gz UZHJFOBOZUZIQR-JTQLQIEISA-N 1 0 387.221 1.615 20 0 GDADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)CNC(=O)c3cccc(Br)c3)C[C@@]2(C)C1 ZINC000913294270 660075198 /nfs/dbraw/zinc/07/51/98/660075198.db2.gz KAJGTTVNTOSERZ-HDICACEKSA-N 1 0 394.313 1.979 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2cncc(I)c2)CC1 ZINC000913678886 660091879 /nfs/dbraw/zinc/09/18/79/660091879.db2.gz BGDNAAGTVUYMDK-UHFFFAOYSA-N 1 0 389.237 1.215 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000913677307 660091891 /nfs/dbraw/zinc/09/18/91/660091891.db2.gz JTOPAXDWZJQLPY-UHFFFAOYSA-N 1 0 385.306 1.511 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3nscc3I)CC[C@@H]21 ZINC000913758995 660095835 /nfs/dbraw/zinc/09/58/35/660095835.db2.gz GYKNNLAQGKPSFH-WPRPVWTQSA-N 1 0 377.251 1.914 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)C1 ZINC000913767972 660096377 /nfs/dbraw/zinc/09/63/77/660096377.db2.gz UGPKVHLOSODSTN-GVDBMIGSSA-N 1 0 378.314 1.697 20 0 GDADRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000913952479 660106762 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377.551 1.605 20 0 GDADRO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000915726124 660177482 /nfs/dbraw/zinc/17/74/82/660177482.db2.gz XXLXVQQLCSMHCY-AWEZNQCLSA-N 1 0 377.551 1.603 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000382421718 677677164 /nfs/dbraw/zinc/67/71/64/677677164.db2.gz KRHFYEAUWRILBZ-DZGCQCFKSA-N 1 0 375.535 1.693 20 0 GDADRO CN(CCCNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)C(=O)OC(C)(C)C ZINC000913935748 677679449 /nfs/dbraw/zinc/67/94/49/677679449.db2.gz VFOXQQBWJULARU-KRWDZBQOSA-N 1 0 375.535 1.649 20 0 GDADRO Cc1nsc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C(F)(F)F)n1 ZINC001055624651 677680188 /nfs/dbraw/zinc/68/01/88/677680188.db2.gz OWQLMXAVXLNZJW-HJQYOEGKSA-N 1 0 377.436 1.988 20 0 GDADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCOCC12C[NH2+]C2 ZINC001164403341 718860138 /nfs/dbraw/zinc/86/01/38/718860138.db2.gz MJVSQQLEKFYBQV-UHFFFAOYSA-N 1 0 388.802 1.420 20 0 GDADRO 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O=C(C1=COCCC1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571269239 945615379 /nfs/dbraw/zinc/61/53/79/945615379.db2.gz SUASYWPJPAAMBY-HNNXBMFYSA-N 1 0 386.431 1.781 20 0 GDADRO C[C@H](NC(=O)c1cn[nH]c1)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271359 945641963 /nfs/dbraw/zinc/64/19/63/945641963.db2.gz AVUGFPKXRKOMCP-RYUDHWBXSA-N 1 0 386.485 1.682 20 0 GDADRO Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571271390 945642682 /nfs/dbraw/zinc/64/26/82/945642682.db2.gz BHFYUJLIOWIKMR-JQWIXIFHSA-N 1 0 386.485 1.600 20 0 GDADRO CCn1cnc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571271395 945642701 /nfs/dbraw/zinc/64/27/01/945642701.db2.gz BJSASMYDFKBNGK-WCQYABFASA-N 1 0 386.485 1.395 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1C[NH2+]Cc1cncs1 ZINC001571271375 945642722 /nfs/dbraw/zinc/64/27/22/945642722.db2.gz BBBITYLCAOXWKK-IAQYHMDHSA-N 1 0 386.485 1.682 20 0 GDADRO CCCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cs1 ZINC001571271556 945645227 /nfs/dbraw/zinc/64/52/27/945645227.db2.gz DJYSPMWEYCKFRA-XYPYZODXSA-N 1 0 386.485 1.654 20 0 GDADRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cscn2)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571271811 945650397 /nfs/dbraw/zinc/65/03/97/945650397.db2.gz KJIOMOJJUBTMAH-AULYBMBSSA-N 1 0 386.485 1.730 20 0 GDADRO Cc1ncsc1CC[NH2+]C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571271882 945652803 /nfs/dbraw/zinc/65/28/03/945652803.db2.gz LRFQTOBNBVBHRV-UHFFFAOYSA-N 1 0 386.485 1.397 20 0 GDADRO Cc1nc[nH]c1C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272109 945656468 /nfs/dbraw/zinc/65/64/68/945656468.db2.gz PMNATUYUSLJVQJ-GFCCVEGCSA-N 1 0 386.485 1.602 20 0 GDADRO O=C(Cn1cccn1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272352 945659355 /nfs/dbraw/zinc/65/93/55/945659355.db2.gz SOEIUIRQLQKRRM-CYBMUJFWSA-N 1 0 386.485 1.153 20 0 GDADRO O=C(Cn1cccn1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272353 945659790 /nfs/dbraw/zinc/65/97/90/945659790.db2.gz SOEIUIRQLQKRRM-ZDUSSCGKSA-N 1 0 386.485 1.153 20 0 GDADRO Cc1cc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)sn1 ZINC001571272324 945660492 /nfs/dbraw/zinc/66/04/92/945660492.db2.gz RVWUQARBUAYHQN-STQMWFEESA-N 1 0 386.485 1.791 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000821267130 945661990 /nfs/dbraw/zinc/66/19/90/945661990.db2.gz KVFGFWKJMSEILG-CYBMUJFWSA-N 1 0 377.880 1.875 20 0 GDADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3O)cc2)CC1 ZINC000821277227 945664793 /nfs/dbraw/zinc/66/47/93/945664793.db2.gz SCUBIAIATKOENC-UHFFFAOYSA-N 1 0 393.451 1.967 20 0 GDADRO Cc1nc(N[C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)ccc1-c1nn[nH]n1 ZINC001571272727 945670091 /nfs/dbraw/zinc/67/00/91/945670091.db2.gz YQDGXVXLDAYZIA-RHSMWYFYSA-N 1 0 386.504 1.559 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCOC3)C2)cc1-c1nn[nH]n1 ZINC001571276090 945723545 /nfs/dbraw/zinc/72/35/45/945723545.db2.gz HAYODAUQVSTKPG-SOUVJXGZSA-N 1 0 386.456 1.039 20 0 GDADRO O=C(CC1OCCCO1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571276118 945726068 /nfs/dbraw/zinc/72/60/68/945726068.db2.gz HKLBAVGNMZVDQV-OAHLLOKOSA-N 1 0 386.456 1.100 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCO2)C1 ZINC001571278496 945753329 /nfs/dbraw/zinc/75/33/29/945753329.db2.gz OGJSPKXPBGODEO-VQIMIIECSA-N 1 0 386.456 1.135 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCCO3)C2)cc1-c1nn[nH]n1 ZINC001571278953 945765406 /nfs/dbraw/zinc/76/54/06/945765406.db2.gz SMEGAJGIGIDBED-WMLDXEAASA-N 1 0 386.456 1.135 20 0 GDADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000821649689 945773565 /nfs/dbraw/zinc/77/35/65/945773565.db2.gz BDMVNXUWNGBYTD-YJBOKZPZSA-N 1 0 384.484 1.745 20 0 GDADRO Cc1nnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571281134 945796764 /nfs/dbraw/zinc/79/67/64/945796764.db2.gz CNVNKRSRGLGSRM-NEPJUHHUSA-N 1 0 387.473 1.186 20 0 GDADRO CC(C)CC[NH+]1CCC2(CC1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CCO2 ZINC001571281214 945801085 /nfs/dbraw/zinc/80/10/85/945801085.db2.gz FPZNJSRGBLIBPT-UHFFFAOYSA-N 1 0 387.488 1.548 20 0 GDADRO O=C(N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001571282951 945868969 /nfs/dbraw/zinc/86/89/69/945868969.db2.gz WNKJSPVHLLFGIW-XBRIKIQZSA-N 1 0 387.447 1.329 20 0 GDADRO CCC(CC)C(=O)N1CCC(O)(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571283220 945881520 /nfs/dbraw/zinc/88/15/20/945881520.db2.gz CCEGEKMAUZQQQA-UHFFFAOYSA-N 1 0 387.488 1.194 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC([C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001571284587 945902207 /nfs/dbraw/zinc/90/22/07/945902207.db2.gz RFGURUPGOMBGMF-OAHLLOKOSA-N 1 0 387.488 1.141 20 0 GDADRO CC[C@H](C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[nH]n2)n1)[NH+](C)C ZINC001571285209 945911366 /nfs/dbraw/zinc/91/13/66/945911366.db2.gz ZMPXZDVFWUPSPY-DZGCQCFKSA-N 1 0 387.492 1.098 20 0 GDADRO CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573460792 945917163 /nfs/dbraw/zinc/91/71/63/945917163.db2.gz MBNKROIXJMJQAF-OLZOCXBDSA-N 1 0 387.488 1.154 20 0 GDADRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](CO)C2)c1-c1nn[nH]n1 ZINC000822016060 945920672 /nfs/dbraw/zinc/92/06/72/945920672.db2.gz UKCHTQDWJHTFOF-OAHLLOKOSA-N 1 0 395.467 1.527 20 0 GDADRO O=C(NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C(F)F)c1 ZINC001571285852 945930102 /nfs/dbraw/zinc/93/01/02/945930102.db2.gz PQGBVAFXVPDHTK-UHFFFAOYSA-N 1 0 388.382 1.320 20 0 GDADRO C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CO1 ZINC001571287223 945970032 /nfs/dbraw/zinc/97/00/32/945970032.db2.gz AZPJLQYQMIBACU-YXAMBPQSSA-N 1 0 388.447 1.415 20 0 GDADRO O=C([C@H]1CCCO1)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571287654 945974639 /nfs/dbraw/zinc/97/46/39/945974639.db2.gz GZBMGWNMYYMEMS-NVXWUHKLSA-N 1 0 388.447 1.656 20 0 GDADRO O=C(C[C@@H]1CCCO1)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287846 945980428 /nfs/dbraw/zinc/98/04/28/945980428.db2.gz JGYVLYLWBAQNOT-HOTGVXAUSA-N 1 0 388.447 1.656 20 0 GDADRO C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC001571288298 945985271 /nfs/dbraw/zinc/98/52/71/945985271.db2.gz NRDHUGYOCFRYRA-CABCVRRESA-N 1 0 388.447 1.465 20 0 GDADRO CC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001571288257 945985922 /nfs/dbraw/zinc/98/59/22/945985922.db2.gz NBNFSBORBBAPMU-INIZCTEOSA-N 1 0 388.447 1.656 20 0 GDADRO CN(C(=O)C[C@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288923 945996373 /nfs/dbraw/zinc/99/63/73/945996373.db2.gz UNCNMCCMQRYSMD-HUUCEWRRSA-N 1 0 388.447 1.465 20 0 GDADRO CO[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C1CC1 ZINC001571289190 945998403 /nfs/dbraw/zinc/99/84/03/945998403.db2.gz WWOWCUWIXUFIMF-SSKCKEOISA-N 1 0 388.447 1.367 20 0 GDADRO COc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)o1 ZINC001571289924 946022975 /nfs/dbraw/zinc/02/29/75/946022975.db2.gz PWMIHWBYYIKLBH-LLVKDONJSA-N 1 0 388.453 1.924 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001571290005 946024981 /nfs/dbraw/zinc/02/49/81/946024981.db2.gz SIFXCSYJFOSUNZ-KCXAZCMYSA-N 1 0 388.472 1.888 20 0 GDADRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@H]([C@H]2CCCO2)C1 ZINC001571293827 946119057 /nfs/dbraw/zinc/11/90/57/946119057.db2.gz SSJYUIDOAZRGGV-XOKHGSTOSA-N 1 0 389.431 1.938 20 0 GDADRO Cc1ccncc1CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571295062 946152807 /nfs/dbraw/zinc/15/28/07/946152807.db2.gz OJJJNFKZEWLRGO-RUYXUALKSA-N 1 0 389.463 1.359 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295253 946157736 /nfs/dbraw/zinc/15/77/36/946157736.db2.gz RAJGPCOSQFMDBK-UONOGXRCSA-N 1 0 389.529 1.351 20 0 GDADRO O=C(Cc1cccnc1)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571295445 946164481 /nfs/dbraw/zinc/16/44/81/946164481.db2.gz TUYINCFGWVPNFI-IEBWSBKVSA-N 1 0 389.463 1.537 20 0 GDADRO CC(C)C[N@H+](Cc1ccc(S(N)(=O)=O)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571297855 946198042 /nfs/dbraw/zinc/19/80/42/946198042.db2.gz BJOCMNZNQUJKHJ-UHFFFAOYSA-N 1 0 390.469 1.765 20 0 GDADRO C[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571298276 946211175 /nfs/dbraw/zinc/21/11/75/946211175.db2.gz MGFFBLSVDISKCN-WFASDCNBSA-N 1 0 390.463 1.351 20 0 GDADRO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822986969 946247940 /nfs/dbraw/zinc/24/79/40/946247940.db2.gz OSAONJCYMWMHGE-SFHVURJKSA-N 1 0 384.484 1.907 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571300234 946278976 /nfs/dbraw/zinc/27/89/76/946278976.db2.gz XNRQRBWXDXLRKO-MGPQQGTHSA-N 1 0 390.513 1.539 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571301872 946286013 /nfs/dbraw/zinc/28/60/13/946286013.db2.gz GNFHZHGNMSGAMY-VXGBXAGGSA-N 1 0 391.426 1.625 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2nccn2C(F)F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571302375 946299414 /nfs/dbraw/zinc/29/94/14/946299414.db2.gz WAGHLBQJBQSJOS-HOMQSWHASA-N 1 0 391.386 1.085 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1cc(Cl)no1 ZINC001571305665 946369342 /nfs/dbraw/zinc/36/93/42/946369342.db2.gz ITQWEUXAVNKKQL-MGCOHNPYSA-N 1 0 391.794 1.698 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1cc(Cl)no1 ZINC001571306368 946398625 /nfs/dbraw/zinc/39/86/25/946398625.db2.gz UKEIXXYLLVQVHH-PHIMTYICSA-N 1 0 391.794 1.698 20 0 GDADRO CC1(C)CN(C(=O)Cc2cccnc2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571307010 946413893 /nfs/dbraw/zinc/41/38/93/946413893.db2.gz TXWLVMNVZUFWIL-SFHVURJKSA-N 1 0 391.479 1.831 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC([C@@H]2C[C@H]([NH2+]CCF)CCO2)CC1 ZINC001571307063 946416316 /nfs/dbraw/zinc/41/63/16/946416316.db2.gz VGNOCMFSUHNOPZ-ZBFHGGJFSA-N 1 0 391.451 1.154 20 0 GDADRO CN(C)c1cccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571307053 946416503 /nfs/dbraw/zinc/41/65/03/946416503.db2.gz VCFCIDRKHBRJEX-SFHVURJKSA-N 1 0 391.479 1.937 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571307183 946417745 /nfs/dbraw/zinc/41/77/45/946417745.db2.gz ZHPSXGZRQRIZJU-AUUYWEPGSA-N 1 0 391.479 1.749 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC001571308046 946429983 /nfs/dbraw/zinc/42/99/83/946429983.db2.gz KQGPPZXXBFWPDV-KGLIPLIRSA-N 1 0 392.410 1.563 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCCN1C(=O)c1cncnc1 ZINC001571310658 946477255 /nfs/dbraw/zinc/47/72/55/946477255.db2.gz LXFGLLBDXYEEMU-KSSFIOAISA-N 1 0 392.467 1.830 20 0 GDADRO CCc1ccnc(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571312778 946501339 /nfs/dbraw/zinc/50/13/39/946501339.db2.gz CWRBEWVENVACGL-OAHLLOKOSA-N 1 0 392.467 1.878 20 0 GDADRO C[NH+](C)Cc1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)c1 ZINC001571312834 946502631 /nfs/dbraw/zinc/50/26/31/946502631.db2.gz DMXWOIMIKRSPIB-KRWDZBQOSA-N 1 0 392.467 1.650 20 0 GDADRO CCc1ncncc1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571313164 946513866 /nfs/dbraw/zinc/51/38/66/946513866.db2.gz JARCEMDSDMLJMX-HNNXBMFYSA-N 1 0 392.467 1.471 20 0 GDADRO CN(C)c1ccnc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571313231 946516381 /nfs/dbraw/zinc/51/63/81/946516381.db2.gz KLMAMPHXZWVBKR-MRXNPFEDSA-N 1 0 392.467 1.332 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571313550 946524938 /nfs/dbraw/zinc/52/49/38/946524938.db2.gz RMXNMSWVRKHFGK-WMLDXEAASA-N 1 0 392.467 1.545 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001571313658 946528549 /nfs/dbraw/zinc/52/85/49/946528549.db2.gz SOPPVSQKSNHUBU-INIZCTEOSA-N 1 0 392.467 1.641 20 0 GDADRO CC(=O)NC1CCC([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823988666 946533033 /nfs/dbraw/zinc/53/30/33/946533033.db2.gz HUQXHEXXWSWSEP-UHFFFAOYSA-N 1 0 394.483 1.804 20 0 GDADRO Cc1ccc(CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2C)cn1 ZINC001571316195 946569976 /nfs/dbraw/zinc/56/99/76/946569976.db2.gz WANWKQNXSKIAND-GOEBONIOSA-N 1 0 392.467 1.421 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)C(C)(C)c3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316304 946570741 /nfs/dbraw/zinc/57/07/41/946570741.db2.gz YSQBUEQSNYFSGO-OAHLLOKOSA-N 1 0 392.467 1.638 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cnn1 ZINC001571316250 946572268 /nfs/dbraw/zinc/57/22/68/946572268.db2.gz XKODWNGUJRTKLH-OAHLLOKOSA-N 1 0 392.467 1.607 20 0 GDADRO Cc1ccc(C(=O)N2CCC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)nn1 ZINC001571316287 946572363 /nfs/dbraw/zinc/57/23/63/946572363.db2.gz YMQZZOBRNSAMIA-MRXNPFEDSA-N 1 0 392.467 1.607 20 0 GDADRO O=C(NC[C@@H]1CCCCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)c1ncccn1 ZINC001571316367 946573675 /nfs/dbraw/zinc/57/36/75/946573675.db2.gz AXJIYZLTONVDEL-KRWDZBQOSA-N 1 0 392.467 1.831 20 0 GDADRO O=C(Cn1cccn1)N1CCC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571316607 946581980 /nfs/dbraw/zinc/58/19/80/946581980.db2.gz HTSIISGIMXQVKQ-FUHWJXTLSA-N 1 0 392.467 1.186 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCn2cncc2C1 ZINC001571317551 946613098 /nfs/dbraw/zinc/61/30/98/946613098.db2.gz MEUIHYNIVNKJCD-SJORKVTESA-N 1 0 392.467 1.016 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)ccc1-c1nn[nH]n1 ZINC001571317847 946624134 /nfs/dbraw/zinc/62/41/34/946624134.db2.gz XFDBGNAWPJRGLB-QGZVFWFLSA-N 1 0 392.529 1.964 20 0 GDADRO C[C@H](CCS(C)(=O)=O)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824406270 946685774 /nfs/dbraw/zinc/68/57/74/946685774.db2.gz HBAQMFIPFVBRDJ-CQSZACIVSA-N 1 0 392.529 1.244 20 0 GDADRO C[C@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H](C)N1CCOCC1 ZINC000824548074 946789861 /nfs/dbraw/zinc/78/98/61/946789861.db2.gz VAKKHKRJKBQAMS-IRXDYDNUSA-N 1 0 399.543 1.530 20 0 GDADRO C[C@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CN(C)CCO1 ZINC000824547867 946791062 /nfs/dbraw/zinc/79/10/62/946791062.db2.gz TVMZQFLUSJJHNS-KXBFYZLASA-N 1 0 385.516 1.140 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824978820 947020403 /nfs/dbraw/zinc/02/04/03/947020403.db2.gz YBSSHAOKYQDLIQ-RHSMWYFYSA-N 1 0 384.488 1.356 20 0 GDADRO CCC(=O)N1CC[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825033970 947051166 /nfs/dbraw/zinc/05/11/66/947051166.db2.gz BKBVSEXSERETEJ-GOSISDBHSA-N 1 0 383.500 1.432 20 0 GDADRO C[NH+](C)CCOc1cc(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)ccn1 ZINC000825870147 947349040 /nfs/dbraw/zinc/34/90/40/947349040.db2.gz BQGXEBBXHLXSKT-BQYQJAHWSA-N 1 0 379.424 1.854 20 0 GDADRO C[NH+](C)CCOc1cc(CNC(=S)Nc2ccccc2-c2nn[nH]n2)ccn1 ZINC000825870321 947352483 /nfs/dbraw/zinc/35/24/83/947352483.db2.gz GRYIHOLAIMTYMR-UHFFFAOYSA-N 1 0 398.496 1.689 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(C)(C)C ZINC001573593423 947371756 /nfs/dbraw/zinc/37/17/56/947371756.db2.gz SXPFCVJVXFVUIC-HOCLYGCPSA-N 1 0 388.516 1.800 20 0 GDADRO CNC(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826060613 947421514 /nfs/dbraw/zinc/42/15/14/947421514.db2.gz PPSUDRCOYOYBLC-UHFFFAOYSA-N 1 0 380.456 1.225 20 0 GDADRO C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)n1cncn1 ZINC001573599235 947452045 /nfs/dbraw/zinc/45/20/45/947452045.db2.gz WLVYWGMXIWVWMN-GFCCVEGCSA-N 1 0 389.489 1.061 20 0 GDADRO C[C@@H](C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)c1ccc(F)cc1F ZINC001573603642 947494420 /nfs/dbraw/zinc/49/44/20/947494420.db2.gz IXDQZGMBSIHKBQ-LLVKDONJSA-N 1 0 387.394 1.636 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000826183206 947564323 /nfs/dbraw/zinc/56/43/23/947564323.db2.gz IBDATHCJBLWKSK-DFNIBXOVSA-N 1 0 397.527 1.618 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)cc1 ZINC001573355108 947641114 /nfs/dbraw/zinc/64/11/14/947641114.db2.gz MRRLIWYBHNFARV-QGZVFWFLSA-N 1 0 378.436 1.390 20 0 GDADRO C[C@H](C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573617900 947642715 /nfs/dbraw/zinc/64/27/15/947642715.db2.gz QGBNZLHSXRKLRL-KUHUBIRLSA-N 1 0 380.456 1.397 20 0 GDADRO C[C@H](C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC001573626623 947711224 /nfs/dbraw/zinc/71/12/24/947711224.db2.gz WNFWRWTVPGIVPD-AWEZNQCLSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@H]1CCCO1 ZINC001573627120 947716055 /nfs/dbraw/zinc/71/60/55/947716055.db2.gz ZCAPIWRFSDAVFK-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1C ZINC001573367471 947760358 /nfs/dbraw/zinc/76/03/58/947760358.db2.gz DAYCNZGRUJHZQD-BLLLJJGKSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573367546 947761482 /nfs/dbraw/zinc/76/14/82/947761482.db2.gz DPCZTLKYKBJMIJ-YOEHRIQHSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001573628813 947765853 /nfs/dbraw/zinc/76/58/53/947765853.db2.gz KITZWLBOBPYFPU-XIKOKIGWSA-N 1 0 390.513 1.417 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573368306 947767480 /nfs/dbraw/zinc/76/74/80/947767480.db2.gz MMCSRLKHAAAUJJ-SJKOYZFVSA-N 1 0 388.447 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573372638 947780100 /nfs/dbraw/zinc/78/01/00/947780100.db2.gz AVYWRCOUBHOSHI-MRXNPFEDSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573372862 947785099 /nfs/dbraw/zinc/78/50/99/947785099.db2.gz DYVHBZFRPVVUHA-GJZGRUSLSA-N 1 0 385.472 1.482 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573630814 947796833 /nfs/dbraw/zinc/79/68/33/947796833.db2.gz SOQAGQPOBHEWPT-CABCVRRESA-N 1 0 392.467 1.533 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573375121 947815698 /nfs/dbraw/zinc/81/56/98/947815698.db2.gz RBRUBFBRNNYKKR-INIZCTEOSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001573375925 947827776 /nfs/dbraw/zinc/82/77/76/947827776.db2.gz UUCQUQHKDKUBLG-KSSFIOAISA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCC1 ZINC001573376147 947832032 /nfs/dbraw/zinc/83/20/32/947832032.db2.gz RYIHECQXXZMPIO-KRWDZBQOSA-N 1 0 385.472 1.530 20 0 GDADRO C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573638141 947833727 /nfs/dbraw/zinc/83/37/27/947833727.db2.gz GGGFEPDMMMVNAJ-OLZOCXBDSA-N 1 0 386.485 1.467 20 0 GDADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001573639619 947847039 /nfs/dbraw/zinc/84/70/39/947847039.db2.gz AGFCQUVWHKOVQZ-YOEHRIQHSA-N 1 0 384.484 1.620 20 0 GDADRO CC(=O)CCCC(=O)N[C@@](C)(CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001573377370 947848177 /nfs/dbraw/zinc/84/81/77/947848177.db2.gz LGCZOUZCTOSDFI-IBGZPJMESA-N 1 0 385.472 1.448 20 0 GDADRO CC(=O)CCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573378112 947854526 /nfs/dbraw/zinc/85/45/26/947854526.db2.gz VYCPTRXPTVGCNL-QWHCGFSZSA-N 1 0 376.436 1.748 20 0 GDADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C(C)(C)C ZINC001573644070 947867145 /nfs/dbraw/zinc/86/71/45/947867145.db2.gz XTFJOHBFTNCDCT-OLZOCXBDSA-N 1 0 392.529 1.927 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)n1cccn1 ZINC001573644090 947867705 /nfs/dbraw/zinc/86/77/05/947867705.db2.gz YFMJHNMNIHCNFW-TZMCWYRMSA-N 1 0 384.419 1.154 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001573381374 947872482 /nfs/dbraw/zinc/87/24/82/947872482.db2.gz UKTONNWQWJXABN-INIZCTEOSA-N 1 0 385.472 1.660 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@]2(C)C1)n1cccc1 ZINC001573650658 947911768 /nfs/dbraw/zinc/91/17/68/947911768.db2.gz CQKANEMGBQCVBZ-MDOVXXIYSA-N 1 0 392.467 1.609 20 0 GDADRO Cc1cnc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826317902 947930194 /nfs/dbraw/zinc/93/01/94/947930194.db2.gz PLOPTUYFQGETBJ-CQSZACIVSA-N 1 0 398.471 1.998 20 0 GDADRO Cc1onc(CC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1-c1nn[nH]n1 ZINC000826344255 948004822 /nfs/dbraw/zinc/00/48/22/948004822.db2.gz BQOPWMYEHSBMSL-HNNXBMFYSA-N 1 0 387.488 1.676 20 0 GDADRO C[C@H](C(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001573663746 948042137 /nfs/dbraw/zinc/04/21/37/948042137.db2.gz PGPLUCRJLXYGIU-XOBRGWDASA-N 1 0 384.484 1.356 20 0 GDADRO Cc1onc(CC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1-c1nn[nH]n1 ZINC000826347074 948049521 /nfs/dbraw/zinc/04/95/21/948049521.db2.gz DJWXZLUVIAACFE-AWEZNQCLSA-N 1 0 389.847 1.778 20 0 GDADRO Cc1onc(CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826347453 948052855 /nfs/dbraw/zinc/05/28/55/948052855.db2.gz ROHKXEAUSGLBLK-HNNXBMFYSA-N 1 0 381.440 1.486 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnn(C)c1 ZINC001573672204 948109568 /nfs/dbraw/zinc/10/95/68/948109568.db2.gz IENFEVIORQDZRU-AAEUAGOBSA-N 1 0 386.485 1.156 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573673798 948115336 /nfs/dbraw/zinc/11/53/36/948115336.db2.gz LHYWQMJHZLYUMK-CABCVRRESA-N 1 0 384.488 1.221 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573673799 948115631 /nfs/dbraw/zinc/11/56/31/948115631.db2.gz LHYWQMJHZLYUMK-GJZGRUSLSA-N 1 0 384.488 1.221 20 0 GDADRO 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ZINC000826393516 948202028 /nfs/dbraw/zinc/20/20/28/948202028.db2.gz VXAVKVBKOPEFRU-UHFFFAOYSA-N 1 0 391.479 1.720 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CCCC1 ZINC001573691825 948248213 /nfs/dbraw/zinc/24/82/13/948248213.db2.gz KBKPOGXYTUKKFV-WBMJQRKESA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C(=O)NCC1(Nc2ncccc2-c2nn[nH]n2)CC1)[NH+]1CCCCCC1 ZINC001573692118 948255897 /nfs/dbraw/zinc/25/58/97/948255897.db2.gz LWDVPFSBFXNJHN-CQSZACIVSA-N 1 0 384.488 1.587 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1)[C@H]1CCCO1 ZINC001573692433 948264340 /nfs/dbraw/zinc/26/43/40/948264340.db2.gz PQPADTKDAGZORD-MLGOLLRUSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)[C@@H]1CCCO1 ZINC001573692695 948271154 /nfs/dbraw/zinc/27/11/54/948271154.db2.gz RVFSWYYVZKBHJD-WBMJQRKESA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573693581 948282813 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1 0 390.451 1.693 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCCO1)C1CC1 ZINC001573708700 948457678 /nfs/dbraw/zinc/45/76/78/948457678.db2.gz XIILOGQVZHNZQA-KDOFPFPSSA-N 1 0 384.484 1.620 20 0 GDADRO c1cnc(NCCC[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000826525282 948462027 /nfs/dbraw/zinc/46/20/27/948462027.db2.gz DEXLMUCIHYEUDO-UHFFFAOYSA-N 1 0 393.499 1.713 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573728825 948563556 /nfs/dbraw/zinc/56/35/56/948563556.db2.gz RCGQYUTZDVCPPT-KYJSFNMBSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573731785 948596467 /nfs/dbraw/zinc/59/64/67/948596467.db2.gz YZQOFIRGHLEFJP-YDHLFZDLSA-N 1 0 378.440 1.189 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573732503 948602985 /nfs/dbraw/zinc/60/29/85/948602985.db2.gz PSTUWTIQMFRAHQ-STQMWFEESA-N 1 0 390.467 1.582 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573748425 948696241 /nfs/dbraw/zinc/69/62/41/948696241.db2.gz SWXVMUHEMPMNKT-FRFSOERESA-N 1 0 380.456 1.309 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)C(F)(F)F ZINC001573753372 948717415 /nfs/dbraw/zinc/71/74/15/948717415.db2.gz SMPHIFKCZYIUTQ-OLRMPSLUSA-N 1 0 380.374 1.612 20 0 GDADRO CC(F)(F)C1(C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)CC1 ZINC001575222219 948754327 /nfs/dbraw/zinc/75/43/27/948754327.db2.gz GROSAPZIDNOLGZ-TXEJJXNPSA-N 1 0 389.410 1.592 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574914697 948755532 /nfs/dbraw/zinc/75/55/32/948755532.db2.gz NCODRDNWGKAQOJ-NSHDSACASA-N 1 0 387.394 1.511 20 0 GDADRO CC(F)(F)C1(C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001575222803 948761920 /nfs/dbraw/zinc/76/19/20/948761920.db2.gz KMBPOYMOXPQDFO-NSHDSACASA-N 1 0 377.399 1.522 20 0 GDADRO CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574079040 948764413 /nfs/dbraw/zinc/76/44/13/948764413.db2.gz IHOAUMSBWJTDII-LQKXBSAESA-N 1 0 376.411 1.546 20 0 GDADRO CC(C)[C@@H](F)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574079664 948775613 /nfs/dbraw/zinc/77/56/13/948775613.db2.gz DOFPKSFNAMQUET-DVOMOZLQSA-N 1 0 378.427 1.984 20 0 GDADRO C[C@H](CNC(=O)CCc1ccon1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574917172 948811410 /nfs/dbraw/zinc/81/14/10/948811410.db2.gz SSTSKTCYUCFTDX-GFCCVEGCSA-N 1 0 387.419 1.563 20 0 GDADRO CC(C)c1ccoc1C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574421951 948829150 /nfs/dbraw/zinc/82/91/50/948829150.db2.gz RZOSEHGZXJNWCJ-OAHLLOKOSA-N 1 0 384.440 1.464 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574918413 948845971 /nfs/dbraw/zinc/84/59/71/948845971.db2.gz KOFHPYFCZRKMDH-ZDUSSCGKSA-N 1 0 390.467 1.584 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnc[nH]1 ZINC001573763748 948874575 /nfs/dbraw/zinc/87/45/75/948874575.db2.gz GTDOQOVADJBXHX-LLVKDONJSA-N 1 0 386.485 1.320 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573764329 948884828 /nfs/dbraw/zinc/88/48/28/948884828.db2.gz NAYNQDHOECYYCS-HNNXBMFYSA-N 1 0 377.452 1.674 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574920116 948886592 /nfs/dbraw/zinc/88/65/92/948886592.db2.gz CNVYLGVIZYTHOC-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCC1 ZINC001573765172 948899658 /nfs/dbraw/zinc/89/96/58/948899658.db2.gz VRXBMBLPMVYQQZ-HNNXBMFYSA-N 1 0 384.488 1.539 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCC1 ZINC001573765173 948900060 /nfs/dbraw/zinc/90/00/60/948900060.db2.gz VRXBMBLPMVYQQZ-OAHLLOKOSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574686394 948934675 /nfs/dbraw/zinc/93/46/75/948934675.db2.gz HWYPKRYSKDOFHM-GXTWGEPZSA-N 1 0 390.467 1.582 20 0 GDADRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1 ZINC001573773138 948977052 /nfs/dbraw/zinc/97/70/52/948977052.db2.gz HWSBISFTECDCRP-AWEZNQCLSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574925988 948981289 /nfs/dbraw/zinc/98/12/89/948981289.db2.gz FVJQAYFECQAZSE-CYBMUJFWSA-N 1 0 389.479 1.427 20 0 GDADRO C[C@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574689561 948987572 /nfs/dbraw/zinc/98/75/72/948987572.db2.gz IULVNXFJMUIPNL-CYBMUJFWSA-N 1 0 387.492 1.228 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC001573774305 949002909 /nfs/dbraw/zinc/00/29/09/949002909.db2.gz MFXPSHUNNFUDJI-KRWDZBQOSA-N 1 0 386.500 1.650 20 0 GDADRO CC(C)c1nnsc1C(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574439277 949006340 /nfs/dbraw/zinc/00/63/40/949006340.db2.gz DYLYNPNJXPDTNI-UHFFFAOYSA-N 1 0 386.485 1.703 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573775061 949029765 /nfs/dbraw/zinc/02/97/65/949029765.db2.gz SZEVVSXKKCAKGL-CQSZACIVSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575246964 949039705 /nfs/dbraw/zinc/03/97/05/949039705.db2.gz HLOXAZOAMSVWIT-QWHCGFSZSA-N 1 0 387.488 1.012 20 0 GDADRO CC(C)c1nocc1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574441596 949064256 /nfs/dbraw/zinc/06/42/56/949064256.db2.gz OQLRRVLAKFANEJ-HAQNSBGRSA-N 1 0 382.428 1.416 20 0 GDADRO CC(C)(C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[nH]n2)nc1)[NH+]1CCCC1 ZINC001573780023 949076515 /nfs/dbraw/zinc/07/65/15/949076515.db2.gz PVSURQZGHYKCAT-CQSZACIVSA-N 1 0 384.488 1.221 20 0 GDADRO CC(C)c1nocc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574442756 949105407 /nfs/dbraw/zinc/10/54/07/949105407.db2.gz UMZOWWCKRSAJEE-CQSZACIVSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575250827 949117873 /nfs/dbraw/zinc/11/78/73/949117873.db2.gz HRMSWARKGYHXSC-VHSXEESVSA-N 1 0 383.378 1.721 20 0 GDADRO C[C@@H](NC(=O)C(F)F)[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575251023 949126293 /nfs/dbraw/zinc/12/62/93/949126293.db2.gz KBZGQMIFBQQOFY-PWSUYJOCSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)(C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1c[nH]cn1 ZINC001573783011 949141225 /nfs/dbraw/zinc/14/12/25/949141225.db2.gz ZZMMKZVORRYIQH-ARJAWSKDSA-N 1 0 386.485 1.391 20 0 GDADRO CC(C)c1ocnc1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574447125 949153308 /nfs/dbraw/zinc/15/33/08/949153308.db2.gz HCHKAFCWPKAIFJ-GFCCVEGCSA-N 1 0 382.428 1.512 20 0 GDADRO CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C1CCC1 ZINC001573786955 949153532 /nfs/dbraw/zinc/15/35/32/949153532.db2.gz JVWDRRNSQGQCQU-SJORKVTESA-N 1 0 384.484 1.354 20 0 GDADRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001574095845 949156457 /nfs/dbraw/zinc/15/64/57/949156457.db2.gz ZKTBCXCLVSUFCA-HOCLYGCPSA-N 1 0 391.501 1.145 20 0 GDADRO CC(C)c1ocnc1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001574447650 949164743 /nfs/dbraw/zinc/16/47/43/949164743.db2.gz VXGBVDDKABETPZ-CQSZACIVSA-N 1 0 384.444 1.662 20 0 GDADRO CC(C)CC(=O)N(C)CCN1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574098900 949168796 /nfs/dbraw/zinc/16/87/96/949168796.db2.gz HKZHBZGAECMYJN-UHFFFAOYSA-N 1 0 385.516 1.489 20 0 GDADRO C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575514605 949170557 /nfs/dbraw/zinc/17/05/57/949170557.db2.gz XDTRKJIFAFLECQ-ZQWVLENNSA-N 1 0 381.415 1.755 20 0 GDADRO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514767 949176774 /nfs/dbraw/zinc/17/67/74/949176774.db2.gz DUKOKHCJNKLUQX-STQMWFEESA-N 1 0 381.444 1.188 20 0 GDADRO CC(C)c1oncc1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574448391 949186346 /nfs/dbraw/zinc/18/63/46/949186346.db2.gz KIZILCVNJVMABA-HNNXBMFYSA-N 1 0 382.428 1.416 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)n1cccn1 ZINC001574698609 949199897 /nfs/dbraw/zinc/19/98/97/949199897.db2.gz NADCYSSNFZNKRE-QWHCGFSZSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)n1cccc1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575254467 949201586 /nfs/dbraw/zinc/20/15/86/949201586.db2.gz WCDDWNLMGJDDDB-HUUCEWRRSA-N 1 0 379.468 1.866 20 0 GDADRO CC(C)c1ocnc1C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574449918 949206309 /nfs/dbraw/zinc/20/63/09/949206309.db2.gz VVMGYSAOXJYPNN-LBPRGKRZSA-N 1 0 384.444 1.558 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574698761 949207718 /nfs/dbraw/zinc/20/77/18/949207718.db2.gz OLUHRXXVESWZGK-UONOGXRCSA-N 1 0 382.472 1.405 20 0 GDADRO C[C@H](NC(=O)[C@@]1(C)CCCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575255166 949228162 /nfs/dbraw/zinc/22/81/62/949228162.db2.gz PQMXCULNSUNNKC-XOBRGWDASA-N 1 0 384.484 1.620 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)c2ccccc2F)CC1 ZINC001575854382 949229087 /nfs/dbraw/zinc/22/90/87/949229087.db2.gz TYOMGARYLKNMEV-UHFFFAOYSA-N 1 0 381.415 1.930 20 0 GDADRO C[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575517605 949230694 /nfs/dbraw/zinc/23/06/94/949230694.db2.gz XDDUCKGLACSWIM-XJKSGUPXSA-N 1 0 383.456 1.321 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC001575854463 949233421 /nfs/dbraw/zinc/23/34/21/949233421.db2.gz YEBTYLFBIPCLFX-AWEZNQCLSA-N 1 0 385.472 1.293 20 0 GDADRO C[C@H](CNC(=O)Cc1cc(F)ccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574938029 949236925 /nfs/dbraw/zinc/23/69/25/949236925.db2.gz RCDXGWAFGMQSGM-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574938092 949238196 /nfs/dbraw/zinc/23/81/96/949238196.db2.gz RQQDVMZKWJNQFW-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@H](CNC(=O)Cc1cc(C2CC2)no1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574938727 949251979 /nfs/dbraw/zinc/25/19/79/949251979.db2.gz ZSOQIEZUPQXEJQ-GFCCVEGCSA-N 1 0 381.440 1.569 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574940376 949260851 /nfs/dbraw/zinc/26/08/51/949260851.db2.gz DHWCVTDHHNUIRJ-CYBMUJFWSA-N 1 0 377.452 1.332 20 0 GDADRO CC(C)n1cc(C(=O)N(C)CCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001574452478 949265571 /nfs/dbraw/zinc/26/55/71/949265571.db2.gz KKPPTRVQGCPNMD-UHFFFAOYSA-N 1 0 382.472 1.896 20 0 GDADRO C[C@H](CNC(=O)Cc1cccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574940918 949286289 /nfs/dbraw/zinc/28/62/89/949286289.db2.gz MNBPGPTXTCLPDE-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO CC(C)n1cc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)cn1 ZINC001574454756 949291700 /nfs/dbraw/zinc/29/17/00/949291700.db2.gz CGEDHYZEFDUIHU-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(C)CCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574703125 949308228 /nfs/dbraw/zinc/30/82/28/949308228.db2.gz RIQMXFHSFMWGEE-SGTLLEGYSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)CC[NH+](C)C ZINC001576154380 949336366 /nfs/dbraw/zinc/33/63/66/949336366.db2.gz CUHBGVSJYTWALN-LIRRHRJNSA-N 1 0 386.504 1.690 20 0 GDADRO CC1=C(C)C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575862141 949343422 /nfs/dbraw/zinc/34/34/22/949343422.db2.gz XZZKSIYDJLBWPI-MSOLQXFVSA-N 1 0 384.484 1.570 20 0 GDADRO C[C@H](CNC(=O)Cc1cccc(F)c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574942365 949347564 /nfs/dbraw/zinc/34/75/64/949347564.db2.gz ZFUKWIYZOKVHLV-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO CC(C)n1ccc(C[NH2+]C2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC2)n1 ZINC001574460178 949374134 /nfs/dbraw/zinc/37/41/34/949374134.db2.gz ROSNWZKAPLNATK-UHFFFAOYSA-N 1 0 383.460 1.415 20 0 GDADRO C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575263185 949392093 /nfs/dbraw/zinc/39/20/93/949392093.db2.gz FMLWNLIKQHTETB-ZUOKHONESA-N 1 0 384.484 1.354 20 0 GDADRO C[C@@H](NC(=O)C[C@](C)(O)C1CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575263184 949392921 /nfs/dbraw/zinc/39/29/21/949392921.db2.gz FMLWNLIKQHTETB-XCLFUZPHSA-N 1 0 384.484 1.354 20 0 GDADRO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001574704634 949400240 /nfs/dbraw/zinc/40/02/40/949400240.db2.gz DRWUEXXERCEQCT-ZIAGYGMSSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575533674 949421574 /nfs/dbraw/zinc/42/15/74/949421574.db2.gz IFIGDADAJGBDJO-KUHUBIRLSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574705824 949439648 /nfs/dbraw/zinc/43/96/48/949439648.db2.gz JLRMAANPFSMROY-VEAWUBTESA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](CNC(=O)Cn1cc(Cl)cn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574947790 949450983 /nfs/dbraw/zinc/45/09/83/949450983.db2.gz DGXMJVDHLWCSOV-JTQLQIEISA-N 1 0 392.826 1.150 20 0 GDADRO C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265592 949451711 /nfs/dbraw/zinc/45/17/11/949451711.db2.gz VIKVNTXPOCYPRF-YOEHRIQHSA-N 1 0 386.500 1.744 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)CCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574468050 949454785 /nfs/dbraw/zinc/45/47/85/949454785.db2.gz GFEUMEZMQLSWJL-UHFFFAOYSA-N 1 0 382.472 1.896 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574706487 949458992 /nfs/dbraw/zinc/45/89/92/949458992.db2.gz ZALYICJVQHPDDF-OCCSQVGLSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574707636 949469952 /nfs/dbraw/zinc/46/99/52/949469952.db2.gz PFFHPZABVQPCBM-MLGOLLRUSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574707642 949470648 /nfs/dbraw/zinc/47/06/48/949470648.db2.gz PIZVUMORIORKGO-MFKMUULPSA-N 1 0 378.868 1.268 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574469845 949484989 /nfs/dbraw/zinc/48/49/89/949484989.db2.gz IKSOSHXHQORDAH-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H]1CCCC[C@]1(CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccn[nH]1 ZINC001576158452 949495654 /nfs/dbraw/zinc/49/56/54/949495654.db2.gz SUJDAVLFPCQDGQ-KZULUSFZSA-N 1 0 381.444 1.198 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575871858 949525097 /nfs/dbraw/zinc/52/50/97/949525097.db2.gz CNTPTQWXBKDAHS-WBMJQRKESA-N 1 0 390.463 1.636 20 0 GDADRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001574950003 949525292 /nfs/dbraw/zinc/52/52/92/949525292.db2.gz JLPUATHJLJDXFB-WFASDCNBSA-N 1 0 376.461 1.745 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574711847 949560387 /nfs/dbraw/zinc/56/03/87/949560387.db2.gz NEIWXMKYJGDWBG-KUHUBIRLSA-N 1 0 392.463 1.807 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001574475628 949572542 /nfs/dbraw/zinc/57/25/42/949572542.db2.gz BPPBBJKMCUYASM-OCCSQVGLSA-N 1 0 392.529 1.616 20 0 GDADRO C[C@H](NC(=O)CC[C@@H]1CCOC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575270052 949573015 /nfs/dbraw/zinc/57/30/15/949573015.db2.gz AKRPXFFGEXTUJD-LSDHHAIUSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCOC1 ZINC001573811017 949585166 /nfs/dbraw/zinc/58/51/66/949585166.db2.gz GRMORNGOLWUJAY-CZUORRHYSA-N 1 0 390.463 1.663 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cnns1 ZINC001573811090 949589058 /nfs/dbraw/zinc/58/90/58/949589058.db2.gz HOOYUQHXNHCXDD-CQSZACIVSA-N 1 0 386.485 1.653 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ccncn1 ZINC001573811164 949593003 /nfs/dbraw/zinc/59/30/03/949593003.db2.gz IJSQGGAITKCBSO-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cn[nH]c1 ZINC001573811303 949594635 /nfs/dbraw/zinc/59/46/35/949594635.db2.gz JQKAIDBWTNUTQD-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCCOC1 ZINC001575546896 949618292 /nfs/dbraw/zinc/61/82/92/949618292.db2.gz SSJZVEKTAAJAMY-YLJYHZDGSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccn[nH]1 ZINC001573812786 949620687 /nfs/dbraw/zinc/62/06/87/949620687.db2.gz TWDBSJMADCWUPZ-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ncccn1 ZINC001573812733 949621256 /nfs/dbraw/zinc/62/12/56/949621256.db2.gz TVTAZBDLGNJFRZ-ZDUSSCGKSA-N 1 0 386.485 1.653 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001574476854 949626129 /nfs/dbraw/zinc/62/61/29/949626129.db2.gz KRNKUBXQHUZILK-KBXCAEBGSA-N 1 0 386.500 1.554 20 0 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1.656 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ccnnc1 ZINC001575901631 950238697 /nfs/dbraw/zinc/23/86/97/950238697.db2.gz PFVMRJYOJCAVHK-BZNIZROVSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575587790 950242393 /nfs/dbraw/zinc/24/23/93/950242393.db2.gz OLDJJGMETDDSDB-YJYMSZOUSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccccn1 ZINC001575902063 950249311 /nfs/dbraw/zinc/24/93/11/950249311.db2.gz RWOJCMPGEXPYMX-LRDDRELGSA-N 1 0 381.415 1.794 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccncc1F ZINC001574157692 950250876 /nfs/dbraw/zinc/25/08/76/950250876.db2.gz GRFKATIYHOLCMD-LBPRGKRZSA-N 1 0 384.419 1.474 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574157760 950254943 /nfs/dbraw/zinc/25/49/43/950254943.db2.gz IBHQRODUOLMKKK-YRBFXIGRSA-N 1 0 399.499 1.442 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575589896 950273271 /nfs/dbraw/zinc/27/32/71/950273271.db2.gz YQGLUUQHKSVKGQ-IFXJQAMLSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575903188 950275161 /nfs/dbraw/zinc/27/51/61/950275161.db2.gz YUYJVMBJSKGANJ-FZMZJTMJSA-N 1 0 384.469 1.501 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575903235 950278229 /nfs/dbraw/zinc/27/82/29/950278229.db2.gz YZBPQBOVXJLVDB-ZUZCIYMTSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ncccn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575903380 950278671 /nfs/dbraw/zinc/27/86/71/950278671.db2.gz ZSWYOQNPOUUJEX-CJNGLKHVSA-N 1 0 378.440 1.440 20 0 GDADRO CC(C)C[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574158540 950287045 /nfs/dbraw/zinc/28/70/45/950287045.db2.gz CHBYKCMQRJXZIU-CABCVRRESA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1ncc[nH]1 ZINC001575904796 950287378 /nfs/dbraw/zinc/28/73/78/950287378.db2.gz ARPGMPFWFGOFSG-NHYWBVRUSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@@]1(C(=O)NCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCOC1 ZINC001575592700 950296437 /nfs/dbraw/zinc/29/64/37/950296437.db2.gz JSHMRQMQCKJPPM-QGZVFWFLSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccnnc1 ZINC001575906025 950302554 /nfs/dbraw/zinc/30/25/54/950302554.db2.gz GAOXRHXLVSXENV-BDJLRTHQSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)COCC(F)F ZINC001575906031 950302987 /nfs/dbraw/zinc/30/29/87/950302987.db2.gz GBXPVCSXMRAVOB-MWLCHTKSSA-N 1 0 386.428 1.289 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccncn1 ZINC001575905788 950304005 /nfs/dbraw/zinc/30/40/05/950304005.db2.gz FMBXTMGDYQOIFH-XHDPSFHLSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccncc1 ZINC001575906326 950306432 /nfs/dbraw/zinc/30/64/32/950306432.db2.gz HKQKULILWASCDF-YVEFUNNKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575906879 950323142 /nfs/dbraw/zinc/32/31/42/950323142.db2.gz KILNMOIVEIHTOL-GWCFXTLKSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccccn1 ZINC001575907812 950345670 /nfs/dbraw/zinc/34/56/70/950345670.db2.gz RELTUUUZDQKSBW-BEFAXECRSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@H](CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574502088 950358162 /nfs/dbraw/zinc/35/81/62/950358162.db2.gz ITGHAPVAILVVIW-WDEREUQCSA-N 1 0 383.378 1.793 20 0 GDADRO CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3(O)CCC(C(=O)[O-])CC3)C2)ccn1 ZINC001589715146 950371904 /nfs/dbraw/zinc/37/19/04/950371904.db2.gz NJUHQMDSRDIJMH-BSLVTKGXSA-N 1 0 391.512 1.992 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)C1CC(F)(F)C1 ZINC001575909086 950385663 /nfs/dbraw/zinc/38/56/63/950385663.db2.gz FPCZGBUMNWQGRD-IAQYHMDHSA-N 1 0 376.411 1.991 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H](O)C1CCCCC1 ZINC001574746222 950393664 /nfs/dbraw/zinc/39/36/64/950393664.db2.gz MSJSXRBNCABSFT-WBMJQRKESA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1cncs1 ZINC001575909357 950394286 /nfs/dbraw/zinc/39/42/86/950394286.db2.gz YWHKKGYJWOPRDV-MFKMUULPSA-N 1 0 389.510 1.706 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccncc1 ZINC001575909378 950397050 /nfs/dbraw/zinc/39/70/50/950397050.db2.gz ZFGOCCUWCFLXTG-KXBFYZLASA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575597299 950408037 /nfs/dbraw/zinc/40/80/37/950408037.db2.gz OGKNNZRXAHZSNQ-SNUQEOBHSA-N 1 0 390.513 1.729 20 0 GDADRO CC(C)C[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574162915 950409408 /nfs/dbraw/zinc/40/94/08/950409408.db2.gz MXYQDZFRZKERAO-KBPBESRZSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@H]1C[C@@H](Nc2ncccc2-c2nn[nH]n2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198886 950414511 /nfs/dbraw/zinc/41/45/11/950414511.db2.gz WHDHKLNLTHCVFJ-LSDHHAIUSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H]1[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575910445 950417626 /nfs/dbraw/zinc/41/76/26/950417626.db2.gz LBKCYLBNRCIDHT-CZUORRHYSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(F)c2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575910410 950418636 /nfs/dbraw/zinc/41/86/36/950418636.db2.gz KUAGLLYZLIPRAR-QMTHXVAHSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H](CC(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CCCO1 ZINC001574503698 950419293 /nfs/dbraw/zinc/41/92/93/950419293.db2.gz YTOAIVGAFTXQCW-SUMWQHHRSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575910670 950423724 /nfs/dbraw/zinc/42/37/24/950423724.db2.gz MRABHJWDGFJFHG-SJCJKPOMSA-N 1 0 392.467 1.860 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cccnc1 ZINC001575910662 950424697 /nfs/dbraw/zinc/42/46/97/950424697.db2.gz MQEHHQWEUXEYRV-DNVCBOLYSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576202576 950430031 /nfs/dbraw/zinc/43/00/31/950430031.db2.gz BIKLLGZBRWFYCQ-IHRRRGAJSA-N 1 0 387.513 1.055 20 0 GDADRO C[C@H](CC(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCCO1 ZINC001574507143 950450692 /nfs/dbraw/zinc/45/06/92/950450692.db2.gz DTCOEGWQRDUOBY-CXAGYDPISA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)CCOC1 ZINC001575605212 950452654 /nfs/dbraw/zinc/45/26/54/950452654.db2.gz APMCBJCSPHUUSE-SNUQEOBHSA-N 1 0 390.513 1.872 20 0 GDADRO CC(C)CC1(C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001574165863 950453560 /nfs/dbraw/zinc/45/35/60/950453560.db2.gz KWHPVEDRTMYOTB-AWEZNQCLSA-N 1 0 387.488 1.179 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNc3ccc(-c4nn[nH]n4)cn3)[C@H](C)C2)C1 ZINC001576204368 950465543 /nfs/dbraw/zinc/46/55/43/950465543.db2.gz OTHWOUMYMVZBCF-SQWLQELKSA-N 1 0 384.488 1.110 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CNc2cccc(F)c2-c2nn[nH]n2)C2CC2)C1 ZINC001576204646 950467676 /nfs/dbraw/zinc/46/76/76/950467676.db2.gz QXDKJDGYSNVTDQ-WBMJQRKESA-N 1 0 387.463 1.654 20 0 GDADRO CC(C)CC1(C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001574166706 950472820 /nfs/dbraw/zinc/47/28/20/950472820.db2.gz WCVPNTMYUPCQNO-CQSZACIVSA-N 1 0 387.488 1.179 20 0 GDADRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001574167649 950489900 /nfs/dbraw/zinc/48/99/00/950489900.db2.gz GWWWXEGZIJZDJT-QZTJIDSGSA-N 1 0 383.500 1.706 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574752788 950499782 /nfs/dbraw/zinc/49/97/82/950499782.db2.gz ADJNLYGTGPTXCV-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO CC(C)(C)OCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001573866515 950504065 /nfs/dbraw/zinc/50/40/65/950504065.db2.gz FQBCOYFNCZMBOW-UHFFFAOYSA-N 1 0 384.484 1.716 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575608281 950516325 /nfs/dbraw/zinc/51/63/25/950516325.db2.gz PFTDOPCXSUASBU-SPYBWZPUSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cccc(=O)[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574753399 950522095 /nfs/dbraw/zinc/52/20/95/950522095.db2.gz MIPIWDMDMWERDS-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001576205671 950535201 /nfs/dbraw/zinc/53/52/01/950535201.db2.gz MIQIZFIJQKLYLE-NEPJUHHUSA-N 1 0 392.895 1.564 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@@H]2CCCN2c2ncccc2-c2nn[nH]n2)CC1 ZINC001576205734 950535450 /nfs/dbraw/zinc/53/54/50/950535450.db2.gz NWBRFNPWQWSVOJ-HNNXBMFYSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001576205777 950539999 /nfs/dbraw/zinc/53/99/99/950539999.db2.gz PAJHBXOHECGVQD-RYUDHWBXSA-N 1 0 392.895 1.198 20 0 GDADRO CC1CC[NH+](CC(=O)NCC2(Nc3ccc(-c4nn[nH]n4)cn3)CCC2)CC1 ZINC001576205973 950548136 /nfs/dbraw/zinc/54/81/36/950548136.db2.gz SDTZHOWDPJFILI-UHFFFAOYSA-N 1 0 384.488 1.444 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)c[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574998804 950558517 /nfs/dbraw/zinc/55/85/17/950558517.db2.gz ALPMVENAHFWDHC-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H]1[C@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575917391 950568735 /nfs/dbraw/zinc/56/87/35/950568735.db2.gz XEMMOTFROGVKFV-UKRRQHHQSA-N 1 0 386.504 1.641 20 0 GDADRO CC(C)(C)OCC(=O)N1C[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001573869578 950572218 /nfs/dbraw/zinc/57/22/18/950572218.db2.gz QOYKWFMAHUNTCG-IAGOWNOFSA-N 1 0 384.484 1.715 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573869786 950577605 /nfs/dbraw/zinc/57/76/05/950577605.db2.gz CYUJLWIHXYXIKD-INIZCTEOSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)no1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574999410 950579783 /nfs/dbraw/zinc/57/97/83/950579783.db2.gz JCEXBVFTIIDPTP-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575000113 950595939 /nfs/dbraw/zinc/59/59/39/950595939.db2.gz AKQBFRIDYFBAKM-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001576208370 950611902 /nfs/dbraw/zinc/61/19/02/950611902.db2.gz OPYUYQTXNNJSKT-KOMQPUFPSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575001107 950622737 /nfs/dbraw/zinc/62/27/37/950622737.db2.gz SORNSYFPXWKSND-JTQLQIEISA-N 1 0 390.398 1.778 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574759053 950627368 /nfs/dbraw/zinc/62/73/68/950627368.db2.gz KDNHRJWSMPZINL-LBPRGKRZSA-N 1 0 378.440 1.529 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)no1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575001647 950640926 /nfs/dbraw/zinc/64/09/26/950640926.db2.gz XHHWPIUSXVOUNV-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575001675 950641775 /nfs/dbraw/zinc/64/17/75/950641775.db2.gz XROCNLGIAQSOHI-VIFPVBQESA-N 1 0 391.386 1.188 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[nH]n4)cc3Cl)C2)C1 ZINC001576213877 950649530 /nfs/dbraw/zinc/64/95/30/950649530.db2.gz KAGRGFBIGVVEAH-RTXFEEFZSA-N 1 0 390.879 1.316 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573873699 950657270 /nfs/dbraw/zinc/65/72/70/950657270.db2.gz YQWKSPZSEGWMPX-HAQNSBGRSA-N 1 0 378.502 1.728 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575924216 950668274 /nfs/dbraw/zinc/66/82/74/950668274.db2.gz DYKOOPQKSZETGB-MFKMUULPSA-N 1 0 384.831 1.447 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccncc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574760620 950673161 /nfs/dbraw/zinc/67/31/61/950673161.db2.gz XLOUXBZTIOPPLR-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO CC1(C)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]2CCC[N@H+](CCCF)[C@@H]21 ZINC001575624900 950680103 /nfs/dbraw/zinc/68/01/03/950680103.db2.gz QEEZBQJZOGLZBE-YUELXQCFSA-N 1 0 375.452 1.773 20 0 GDADRO C[C@H](CNC(=O)c1cc[nH]c(=O)c1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575005412 950682321 /nfs/dbraw/zinc/68/23/21/950682321.db2.gz DLMSUAKCWRNNHM-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@H]2C[C@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001576215019 950688522 /nfs/dbraw/zinc/68/85/22/950688522.db2.gz UGFJSCXXFQZEHR-HDJSIYSDSA-N 1 0 388.451 1.192 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573878185 950698906 /nfs/dbraw/zinc/69/89/06/950698906.db2.gz KOGRBMLQTWGTEJ-RBSFLKMASA-N 1 0 390.463 1.255 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccncc1Cl ZINC001575926308 950704044 /nfs/dbraw/zinc/70/40/44/950704044.db2.gz JDMRQGXDRNJHCG-IINYFYTJSA-N 1 0 384.831 1.447 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573878489 950707843 /nfs/dbraw/zinc/70/78/43/950707843.db2.gz QQMKGDBQORDJFK-NUEKZKHPSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575006517 950718687 /nfs/dbraw/zinc/71/86/87/950718687.db2.gz VGWWIIMXHWIHED-ZDUSSCGKSA-N 1 0 380.456 1.654 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575926951 950728307 /nfs/dbraw/zinc/72/83/07/950728307.db2.gz MZKWFWYILQEXEJ-BLLLJJGKSA-N 1 0 381.415 1.467 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576216597 950738650 /nfs/dbraw/zinc/73/86/50/950738650.db2.gz DUNBUOYATRTIGO-NEPJUHHUSA-N 1 0 391.426 1.625 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnns1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574764206 950747092 /nfs/dbraw/zinc/74/70/92/950747092.db2.gz RDXAMMLSARVSRL-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnns1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574764662 950757984 /nfs/dbraw/zinc/75/79/84/950757984.db2.gz VSLSWJVRJXRJPE-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C1=CCOCC1 ZINC001574521107 950771847 /nfs/dbraw/zinc/77/18/47/950771847.db2.gz DCWMLUVFOHFAOD-STQMWFEESA-N 1 0 388.447 1.725 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCn1cccn1 ZINC001574521285 950774843 /nfs/dbraw/zinc/77/48/43/950774843.db2.gz DVMVOJUUERHQJP-GJZGRUSLSA-N 1 0 382.472 1.526 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575928199 950777245 /nfs/dbraw/zinc/77/72/45/950777245.db2.gz ZRUCQOJPJLOICM-WCBMZHEXSA-N 1 0 390.860 1.509 20 0 GDADRO CC(C)C(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576218385 950785656 /nfs/dbraw/zinc/78/56/56/950785656.db2.gz LQOXNTQAFIHWGM-MGPUTAFESA-N 1 0 384.484 1.715 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cccnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574521816 950789137 /nfs/dbraw/zinc/78/91/37/950789137.db2.gz IFGVQHQKNILBFO-CABCVRRESA-N 1 0 379.468 1.877 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cn1ccnc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574522197 950792769 /nfs/dbraw/zinc/79/27/69/950792769.db2.gz JJCPAFFJJIOUDE-OLZOCXBDSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574522516 950792908 /nfs/dbraw/zinc/79/29/08/950792908.db2.gz JWCCGYUSQPHKLN-OLZOCXBDSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001575009804 950797802 /nfs/dbraw/zinc/79/78/02/950797802.db2.gz WYLSJNPDSHDLKQ-ABAIWWIYSA-N 1 0 383.431 1.977 20 0 GDADRO C[C@@H]1CN(C(=O)C(F)F)C[C@@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)O1 ZINC001576219009 950797808 /nfs/dbraw/zinc/79/78/08/950797808.db2.gz NGFNIEVACJWVBE-XIKOKIGWSA-N 1 0 392.410 1.324 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CC1(O)CCC1 ZINC001574523441 950812054 /nfs/dbraw/zinc/81/20/54/950812054.db2.gz NRNIRPYGUOGUKY-VXGBXAGGSA-N 1 0 378.502 1.606 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1=COCCO1 ZINC001574523583 950817742 /nfs/dbraw/zinc/81/77/42/950817742.db2.gz OFDRJFRUCPGBQP-VXGBXAGGSA-N 1 0 390.419 1.267 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCc1nnc[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574523669 950822559 /nfs/dbraw/zinc/82/25/59/950822559.db2.gz OYIPIXBFMVNVEA-MNOVXSKESA-N 1 0 389.489 1.052 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1nnc[nH]1 ZINC001574523671 950824804 /nfs/dbraw/zinc/82/48/04/950824804.db2.gz OYIPIXBFMVNVEA-WDEREUQCSA-N 1 0 389.489 1.052 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1ccon1 ZINC001574523949 950841791 /nfs/dbraw/zinc/84/17/91/950841791.db2.gz SLGCKBXRXNXXGK-NWDGAFQWSA-N 1 0 389.485 1.922 20 0 GDADRO C[C@H]1[C@@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575933705 950847119 /nfs/dbraw/zinc/84/71/19/950847119.db2.gz PHOGMMQTWNMHLX-HOCLYGCPSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574524657 950865121 /nfs/dbraw/zinc/86/51/21/950865121.db2.gz YEKODPDHHQAOLZ-NFPNPXPFSA-N 1 0 388.447 1.271 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1=CCOCC1 ZINC001574524839 950873197 /nfs/dbraw/zinc/87/31/97/950873197.db2.gz ZPLZDSHHZLNJRI-STQMWFEESA-N 1 0 388.447 1.725 20 0 GDADRO C[C@H](CN(C)C(=O)c1ocnc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574767969 950875441 /nfs/dbraw/zinc/87/54/41/950875441.db2.gz SAFGYGJRWMGYLO-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnns1 ZINC001574527542 950892336 /nfs/dbraw/zinc/89/23/36/950892336.db2.gz DBNQSQDBSVPNFK-IUCAKERBSA-N 1 0 378.487 1.466 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576227242 950904657 /nfs/dbraw/zinc/90/46/57/950904657.db2.gz FGULMWHRWZGSKP-SJKOYZFVSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cncnc1 ZINC001574528093 950922374 /nfs/dbraw/zinc/92/23/74/950922374.db2.gz KYNXFFAZAQMIGK-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574771568 950926301 /nfs/dbraw/zinc/92/63/01/950926301.db2.gz GRUUYBYBZMMFNT-BLLLJJGKSA-N 1 0 375.452 1.037 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1n[nH]cc1F ZINC001574528129 950926406 /nfs/dbraw/zinc/92/64/06/950926406.db2.gz LLRTUMBWOFGXNJ-DTWKUNHWSA-N 1 0 378.437 1.477 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574528959 950939764 /nfs/dbraw/zinc/93/97/64/950939764.db2.gz OTEQUVCIMUKXLG-NWDGAFQWSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1CCC(O)CC1 ZINC001574771834 950942085 /nfs/dbraw/zinc/94/20/85/950942085.db2.gz LBRGHGBQIUYCBO-VEAWUBTESA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cnn(C)c1 ZINC001574528912 950943340 /nfs/dbraw/zinc/94/33/40/950943340.db2.gz OONHQRVJVUIFMT-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnn(C)c1 ZINC001574529375 950949513 /nfs/dbraw/zinc/94/95/13/950949513.db2.gz QLBPPBBSEWONRS-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cccnn1 ZINC001574529397 950950195 /nfs/dbraw/zinc/95/01/95/950950195.db2.gz QPDFICCJZHFKRW-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1csnn1 ZINC001574529748 950960744 /nfs/dbraw/zinc/96/07/44/950960744.db2.gz RXVFUCBFDATXSJ-NXEZZACHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CCO1 ZINC001575937747 950962391 /nfs/dbraw/zinc/96/23/91/950962391.db2.gz HAHLBXHEAQTLHX-DZGCQCFKSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccc(=O)[nH]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574530534 950982242 /nfs/dbraw/zinc/98/22/42/950982242.db2.gz VLZFSEMEOKNWBB-OLZOCXBDSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574530565 950989336 /nfs/dbraw/zinc/98/93/36/950989336.db2.gz VRXOEUOGENQFMZ-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ncccn1 ZINC001574530692 950990962 /nfs/dbraw/zinc/99/09/62/950990962.db2.gz VTKOQLWFGXOPFH-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCCn1ccnc1 ZINC001574774059 950999801 /nfs/dbraw/zinc/99/98/01/950999801.db2.gz BSNNPJTYWXNPCE-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025377 951131500 /nfs/dbraw/zinc/13/15/00/951131500.db2.gz YOINTTQSYAFWKW-NSHDSACASA-N 1 0 384.419 1.119 20 0 GDADRO C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575025943 951135842 /nfs/dbraw/zinc/13/58/42/951135842.db2.gz DCCPQGIBOXGBSJ-CYBMUJFWSA-N 1 0 380.456 1.554 20 0 GDADRO C[C@@H](CNC(=O)c1cccnc1N(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575031569 951196077 /nfs/dbraw/zinc/19/60/77/951196077.db2.gz DJILMISJTFAOKU-ZDUSSCGKSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575035269 951270373 /nfs/dbraw/zinc/27/03/73/951270373.db2.gz VEGQDRJWRLXYKD-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(C2CC2)n1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575035978 951286959 /nfs/dbraw/zinc/28/69/59/951286959.db2.gz NUMMVCICVCRJJB-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575042476 951361552 /nfs/dbraw/zinc/36/15/52/951361552.db2.gz KDCQWERBFMDMDO-CYBMUJFWSA-N 1 0 382.472 1.632 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575042493 951362475 /nfs/dbraw/zinc/36/24/75/951362475.db2.gz KNZKGZKZXMTFNS-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575044257 951410884 /nfs/dbraw/zinc/41/08/84/951410884.db2.gz YIGDFNUFHNEZNK-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575045376 951425163 /nfs/dbraw/zinc/42/51/63/951425163.db2.gz BBQSAXVZLYJGNY-LLVKDONJSA-N 1 0 386.485 1.369 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C2CCC2)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575052591 951468329 /nfs/dbraw/zinc/46/83/29/951468329.db2.gz MPDSSHZVKFUPSC-CYBMUJFWSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575052848 951472151 /nfs/dbraw/zinc/47/21/51/951472151.db2.gz PBIHZUYIDJEQHF-ZDUSSCGKSA-N 1 0 382.472 1.726 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575053113 951473422 /nfs/dbraw/zinc/47/34/22/951473422.db2.gz QPXRSXCKBNHHNM-NSHDSACASA-N 1 0 381.444 1.127 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575054114 951487279 /nfs/dbraw/zinc/48/72/79/951487279.db2.gz VTRPAHUCJFERFN-QMMMGPOBSA-N 1 0 380.865 1.223 20 0 GDADRO C[C@@H](CNC(=O)c1cnns1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575055482 951508478 /nfs/dbraw/zinc/50/84/78/951508478.db2.gz VLQLEUMZAAXWMD-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](CNC(=O)c1csc(=O)[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575055797 951511402 /nfs/dbraw/zinc/51/14/02/951511402.db2.gz AEJLKTSTTFLPEU-MRVPVSSYSA-N 1 0 377.405 1.076 20 0 GDADRO C[C@H](CNC(=O)c1ncsc1C1CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067233 951606292 /nfs/dbraw/zinc/60/62/92/951606292.db2.gz OUSZJHFRLZBEMW-SNVBAGLBSA-N 1 0 384.469 1.850 20 0 GDADRO C[C@H](CNC(=O)c1ncc2n1CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575067864 951626226 /nfs/dbraw/zinc/62/62/26/951626226.db2.gz PZFLEELLOFJCKX-CYBMUJFWSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575068526 951633399 /nfs/dbraw/zinc/63/33/99/951633399.db2.gz ABSOAAIMADUJCG-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)n1cccc1 ZINC001575077003 951659347 /nfs/dbraw/zinc/65/93/47/951659347.db2.gz AIAWYQPMYNGYME-ZIAGYGMSSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1n[nH]cc1F ZINC001575078440 951681166 /nfs/dbraw/zinc/68/11/66/951681166.db2.gz LOHMZVYEFIBODF-VIFPVBQESA-N 1 0 376.371 1.118 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078840 951684776 /nfs/dbraw/zinc/68/47/76/951684776.db2.gz ANWCRVKTCMTSGG-OCCSQVGLSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)c1cocn1)C1CC1 ZINC001575078866 951684784 /nfs/dbraw/zinc/68/47/84/951684784.db2.gz NQCLTOWXNJUHAA-SFHVURJKSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@@H](CNC(=O)c1cnsn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080384 951707492 /nfs/dbraw/zinc/70/74/92/951707492.db2.gz KPUWNAWNGKBGHR-SECBINFHSA-N 1 0 376.421 1.013 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@@H](O)C1CCCCC1 ZINC001575080261 951707802 /nfs/dbraw/zinc/70/78/02/951707802.db2.gz QSMLENJZFDQIPK-BLLLJJGKSA-N 1 0 375.477 1.092 20 0 GDADRO C[C@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)c1ccon1)C1CC1 ZINC001575080504 951709536 /nfs/dbraw/zinc/70/95/36/951709536.db2.gz XHGBXQAIJVWDGY-GOSISDBHSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@H](CNC(=O)c1cc[nH]c(=O)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080465 951711012 /nfs/dbraw/zinc/71/10/12/951711012.db2.gz MLBGERGAGVACIO-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575080688 951712614 /nfs/dbraw/zinc/71/26/14/951712614.db2.gz MQPMCAFLBBPJPG-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cc1cncs1 ZINC001575081703 951725241 /nfs/dbraw/zinc/72/52/41/951725241.db2.gz RRVDSCMPTMHTMD-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001575081849 951727734 /nfs/dbraw/zinc/72/77/34/951727734.db2.gz WIMMSWPJLAEDBY-BZNIZROVSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CCc1cn[nH]c1 ZINC001575081947 951729539 /nfs/dbraw/zinc/72/95/39/951729539.db2.gz UCTGWIVJDILGSL-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1ccc(=O)[nH]c1 ZINC001575082186 951731534 /nfs/dbraw/zinc/73/15/34/951731534.db2.gz VJNBVHVMADBCAX-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082696 951735991 /nfs/dbraw/zinc/73/59/91/951735991.db2.gz YBSYDIFERPWCQZ-CWTRNNRKSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082960 951739355 /nfs/dbraw/zinc/73/93/55/951739355.db2.gz ZWNOHXUEEZLTDN-ZIAGYGMSSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082958 951740097 /nfs/dbraw/zinc/74/00/97/951740097.db2.gz ZWNOHXUEEZLTDN-UONOGXRCSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001575088902 951744369 /nfs/dbraw/zinc/74/43/69/951744369.db2.gz COCVFIYAZIBOHW-ZFWWWQNUSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)C1(F)CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089371 951750039 /nfs/dbraw/zinc/75/00/39/951750039.db2.gz GWJUCXCANCBTNY-ZDUSSCGKSA-N 1 0 376.436 1.227 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)n1cccc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090351 951760781 /nfs/dbraw/zinc/76/07/81/951760781.db2.gz KUPRERKSVKPTRW-UONOGXRCSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001575090542 951760915 /nfs/dbraw/zinc/76/09/15/951760915.db2.gz LUYWFQSOJVOLJW-XDTLVQLUSA-N 1 0 382.390 1.844 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cncs1 ZINC001575090717 951763085 /nfs/dbraw/zinc/76/30/85/951763085.db2.gz LKPJDDDXMFEQNN-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575090678 951763828 /nfs/dbraw/zinc/76/38/28/951763828.db2.gz LCPQTHWMYJILNT-GXTWGEPZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)[C@]1(C)CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090897 951764822 /nfs/dbraw/zinc/76/48/22/951764822.db2.gz NUWGLBACABKRHR-BFUOFWGJSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)CCc1cscn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090753 951765509 /nfs/dbraw/zinc/76/55/09/951765509.db2.gz LPAACKNOJNWSGC-CYBMUJFWSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)Cc1cscn1 ZINC001575091450 951776883 /nfs/dbraw/zinc/77/68/83/951776883.db2.gz RKUNHZSUSIZFTL-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CCCCO1 ZINC001575091475 951777333 /nfs/dbraw/zinc/77/73/33/951777333.db2.gz RYHZPVXDSOLQSA-MLGOLLRUSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1(C)CCOCC1 ZINC001575091560 951778269 /nfs/dbraw/zinc/77/82/69/951778269.db2.gz VDTQXPXRQDGDQU-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)CCc1cncn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091635 951780720 /nfs/dbraw/zinc/78/07/20/951780720.db2.gz SYIWCWCBYHPLHD-AWEZNQCLSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCC1(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091906 951786088 /nfs/dbraw/zinc/78/60/88/951786088.db2.gz YLGQBJGIRSGSMP-ZWNOBZJWSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1ccccn1)C1CC1 ZINC001575091976 951788019 /nfs/dbraw/zinc/78/80/19/951788019.db2.gz WWQRCPIVQNDMPV-HXUWFJFHSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1Cl)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094413 951804808 /nfs/dbraw/zinc/80/48/08/951804808.db2.gz NHXDFQFQPBNNTF-NSHDSACASA-N 1 0 388.863 1.409 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1ccnn1C ZINC001575094719 951805708 /nfs/dbraw/zinc/80/57/08/951805708.db2.gz OAESSQIHRWMUFT-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098394 951822173 /nfs/dbraw/zinc/82/21/73/951822173.db2.gz CGLCPSRICSJGPI-UNJBNNCHSA-N 1 0 376.486 1.338 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098664 951822993 /nfs/dbraw/zinc/82/29/93/951822993.db2.gz DZLSAFXWBLUWCY-GFCCVEGCSA-N 1 0 388.501 1.136 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1ccon1 ZINC001575099017 951827067 /nfs/dbraw/zinc/82/70/67/951827067.db2.gz HDABEBHZKDWYMH-LLVKDONJSA-N 1 0 375.458 1.486 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)c1cnccn1)C1CC1 ZINC001575099280 951833304 /nfs/dbraw/zinc/83/33/04/951833304.db2.gz JPGYVJKNOCUNAG-QGZVFWFLSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)c1cncnc1)C1CC1 ZINC001575099418 951835363 /nfs/dbraw/zinc/83/53/63/951835363.db2.gz LPQMGVJNBZXQDG-KRWDZBQOSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1cncs1 ZINC001575099605 951837349 /nfs/dbraw/zinc/83/73/49/951837349.db2.gz NZEQTSRAULMNRW-LLVKDONJSA-N 1 0 391.526 1.954 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)c1cnsn1)C1CC1 ZINC001575099548 951837406 /nfs/dbraw/zinc/83/74/06/951837406.db2.gz MZGJCOSQKDBHRX-HNNXBMFYSA-N 1 0 390.498 1.468 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)no1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099788 951839838 /nfs/dbraw/zinc/83/98/38/951839838.db2.gz ONLLPTFXGXPRCP-QMMMGPOBSA-N 1 0 381.849 1.725 20 0 GDADRO C[C@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101142 951853578 /nfs/dbraw/zinc/85/35/78/951853578.db2.gz AIMXLRWQSXQXGD-UONOGXRCSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575101172 951855511 /nfs/dbraw/zinc/85/55/11/951855511.db2.gz AOMPWKMMFCQQRF-LMRQPLJMSA-N 1 0 390.513 1.680 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575101371 951857476 /nfs/dbraw/zinc/85/74/76/951857476.db2.gz CIQNFPCMNFBNRK-APPDUMDISA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101715 951864496 /nfs/dbraw/zinc/86/44/96/951864496.db2.gz IUUGYSFGIQKMRD-TZMCWYRMSA-N 1 0 376.436 1.417 20 0 GDADRO 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Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001571135468 952604919 /nfs/dbraw/zinc/60/49/19/952604919.db2.gz YICREIYNXHEKOZ-IAGOWNOFSA-N 1 0 378.440 1.540 20 0 GDADRO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC001571135913 952609920 /nfs/dbraw/zinc/60/99/20/952609920.db2.gz HTFKLHYNIPVPLY-KRWDZBQOSA-N 1 0 378.436 1.880 20 0 GDADRO Cc1cc(NC[C@@H]2CN(C(=O)CC(C)(F)F)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571138923 952618414 /nfs/dbraw/zinc/61/84/14/952618414.db2.gz AFESVMBNDAHBOW-ZYHUDNBSSA-N 1 0 379.415 1.544 20 0 GDADRO O=C(NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1ccccc1F ZINC001571139397 952620410 /nfs/dbraw/zinc/62/04/10/952620410.db2.gz GZDKDYCXONYELB-XMQYKBBCSA-N 1 0 379.399 1.513 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ncccc1O ZINC001571140258 952624214 /nfs/dbraw/zinc/62/42/14/952624214.db2.gz BAXJFCRCDSKVBL-DOMZBBRYSA-N 1 0 379.424 1.360 20 0 GDADRO O=C(c1ncc[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571140973 952629768 /nfs/dbraw/zinc/62/97/68/952629768.db2.gz DFKBVZMMOMTLHW-CVEARBPZSA-N 1 0 378.440 1.469 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571141276 952632547 /nfs/dbraw/zinc/63/25/47/952632547.db2.gz XBPFZGOMSRTOAE-DGCLKSJQSA-N 1 0 379.415 1.824 20 0 GDADRO Cc1cocc1C(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571142139 952638849 /nfs/dbraw/zinc/63/88/49/952638849.db2.gz PZRIAKKXVCKOJY-KGLIPLIRSA-N 1 0 379.424 1.762 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnc2n1CCC2 ZINC001571142708 952645332 /nfs/dbraw/zinc/64/53/32/952645332.db2.gz WBWYJMSOFFPJLC-HNNXBMFYSA-N 1 0 378.440 1.014 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cc[nH]c(=O)c1 ZINC001571147939 952664798 /nfs/dbraw/zinc/66/47/98/952664798.db2.gz RXNBKARMJUPPCF-HNNXBMFYSA-N 1 0 379.424 1.362 20 0 GDADRO O=C(NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[C@H]1CC12CCCC2 ZINC001571151349 952674935 /nfs/dbraw/zinc/67/49/35/952674935.db2.gz PJXJFUHKLDQOQJ-DMRZNYOFSA-N 1 0 379.468 1.640 20 0 GDADRO CCc1ccccc1CC[NH+]1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571151681 952677104 /nfs/dbraw/zinc/67/71/04/952677104.db2.gz UHINIGZYEGMIGM-UHFFFAOYSA-N 1 0 379.468 1.662 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CC1(F)F)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571152183 952680860 /nfs/dbraw/zinc/68/08/60/952680860.db2.gz CXNBKEYGMPUQAY-NOZJJQNGSA-N 1 0 380.374 1.598 20 0 GDADRO CC(C)(F)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571155340 952695793 /nfs/dbraw/zinc/69/57/93/952695793.db2.gz OOAVGLRBPAINNL-LBPRGKRZSA-N 1 0 380.399 1.071 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)c3ncccc3O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571157896 952707824 /nfs/dbraw/zinc/70/78/24/952707824.db2.gz BVVSRBWTWYWNPV-LBPRGKRZSA-N 1 0 380.412 1.070 20 0 GDADRO Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)c3cn[nH]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571159763 952722295 /nfs/dbraw/zinc/72/22/95/952722295.db2.gz WIPYHBUXUCGPCU-UGSOOPFHSA-N 1 0 379.428 1.082 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)c2ccnn2C)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571166259 952759872 /nfs/dbraw/zinc/75/98/72/952759872.db2.gz KUGOLHKXXOIZRV-ZFWWWQNUSA-N 1 0 380.456 1.383 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1cnccc1C ZINC001571166717 952764273 /nfs/dbraw/zinc/76/42/73/952764273.db2.gz OYOCIIABCKCKJV-DOTOQJQBSA-N 1 0 380.456 1.681 20 0 GDADRO CCc1c(C(=O)N(C)C2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)ccn1C ZINC001571166808 952765715 /nfs/dbraw/zinc/76/57/15/952765715.db2.gz QDXXJCHPQCQMHG-UHFFFAOYSA-N 1 0 380.456 1.300 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167185 952771241 /nfs/dbraw/zinc/77/12/41/952771241.db2.gz XRPJKNSSCYCGKS-BBRMVZONSA-N 1 0 380.456 1.302 20 0 GDADRO CCc1n[nH]cc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571167232 952771411 /nfs/dbraw/zinc/77/14/11/952771411.db2.gz ZHKJBOYXDSGIFF-AWEZNQCLSA-N 1 0 380.456 1.499 20 0 GDADRO Cc1ccncc1C[N@@H+]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C(C)(C)C1 ZINC001571169658 952777427 /nfs/dbraw/zinc/77/74/27/952777427.db2.gz JVLNBTDNWPDFAQ-INIZCTEOSA-N 1 0 380.456 1.539 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001571169733 952777957 /nfs/dbraw/zinc/77/79/57/952777957.db2.gz LJZWEILAQBDQJN-HNNXBMFYSA-N 1 0 380.456 1.113 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169764 952778068 /nfs/dbraw/zinc/77/80/68/952778068.db2.gz MHTVSEWFCDFQIZ-CQSZACIVSA-N 1 0 380.456 1.492 20 0 GDADRO Cc1ccnn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169755 952778210 /nfs/dbraw/zinc/77/82/10/952778210.db2.gz MBYGOKDDJDLEKD-KRWDZBQOSA-N 1 0 380.456 1.105 20 0 GDADRO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C)c(C)n1 ZINC001571169792 952778544 /nfs/dbraw/zinc/77/85/44/952778544.db2.gz NKKSVZXTWRRCSF-XJKSGUPXSA-N 1 0 380.456 1.599 20 0 GDADRO CCn1ccc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)n1 ZINC001571169857 952779860 /nfs/dbraw/zinc/77/98/60/952779860.db2.gz PFXZDSMKWJGJLU-CZUORRHYSA-N 1 0 380.456 1.476 20 0 GDADRO CCn1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001571169886 952780440 /nfs/dbraw/zinc/78/04/40/952780440.db2.gz PTOXKQPTYLDNJF-MRXNPFEDSA-N 1 0 380.456 1.478 20 0 GDADRO CN(C)c1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571170893 952789955 /nfs/dbraw/zinc/78/99/55/952789955.db2.gz YWUSUMGYNHGKLQ-OAHLLOKOSA-N 1 0 380.456 1.265 20 0 GDADRO Cn1cc(C(=O)NC2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC001571171561 952793472 /nfs/dbraw/zinc/79/34/72/952793472.db2.gz CDKXAQAJGZWONO-UHFFFAOYSA-N 1 0 380.456 1.431 20 0 GDADRO Cn1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571172203 952802954 /nfs/dbraw/zinc/80/29/54/952802954.db2.gz PBDGGWKFQBBECN-HOTGVXAUSA-N 1 0 380.456 1.289 20 0 GDADRO O[C@H](C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)c1cccc(-c2nn[nH]n2)c1 ZINC001571172578 952808759 /nfs/dbraw/zinc/80/87/59/952808759.db2.gz XOVNFRJYWFVZQW-JKSUJKDBSA-N 1 0 380.456 1.317 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571178196 952835521 /nfs/dbraw/zinc/83/55/21/952835521.db2.gz AYGHWVHBIJDADY-CHWSQXEVSA-N 1 0 381.415 1.643 20 0 GDADRO Cc1cnoc1C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571179311 952851955 /nfs/dbraw/zinc/85/19/55/952851955.db2.gz BFEAQZQGNYGHMK-GOEBONIOSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)no1 ZINC001571179943 952857596 /nfs/dbraw/zinc/85/75/96/952857596.db2.gz KUSUVOKEHFILGZ-CABCVRRESA-N 1 0 381.440 1.994 20 0 GDADRO Cc1cc(N2C[C@@H](NC(=O)Cc3ccoc3)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180438 952860474 /nfs/dbraw/zinc/86/04/74/952860474.db2.gz OLRYQPGEIDVQLA-ZFWWWQNUSA-N 1 0 381.440 1.879 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@H]2C)o1 ZINC001571181004 952861953 /nfs/dbraw/zinc/86/19/53/952861953.db2.gz SVBPZTUOSWCLQV-SJKOYZFVSA-N 1 0 381.440 1.485 20 0 GDADRO Cc1cnoc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC001571181753 952864931 /nfs/dbraw/zinc/86/49/31/952864931.db2.gz XUORSKAQXAZSJZ-CZUORRHYSA-N 1 0 381.440 1.946 20 0 GDADRO COCC[N@@H+]1CCc2c(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cccc2C1 ZINC001571182765 952868470 /nfs/dbraw/zinc/86/84/70/952868470.db2.gz DXYXDJWLKOCIDF-UHFFFAOYSA-N 1 0 381.440 1.129 20 0 GDADRO CC[C@H]1CN(C(=O)c2cocn2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571182930 952870863 /nfs/dbraw/zinc/87/08/63/952870863.db2.gz JYOXYUMTSYYVKE-HOCLYGCPSA-N 1 0 381.440 1.885 20 0 GDADRO C[C@@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)CCc2ccco2)C1 ZINC001571182956 952871001 /nfs/dbraw/zinc/87/10/01/952871001.db2.gz KPCFCAYBHJWUPA-IBGZPJMESA-N 1 0 381.440 1.560 20 0 GDADRO COc1cccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1C ZINC001571183027 952871787 /nfs/dbraw/zinc/87/17/87/952871787.db2.gz MEFQAUOMMSMVJE-AWEZNQCLSA-N 1 0 381.440 1.516 20 0 GDADRO COc1cccc(C[N@@H+]2CC[C@@](C)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571183137 952874680 /nfs/dbraw/zinc/87/46/80/952874680.db2.gz PUZRERNLZRAOFK-LJQANCHMSA-N 1 0 381.440 1.598 20 0 GDADRO COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571183371 952878049 /nfs/dbraw/zinc/87/80/49/952878049.db2.gz YUDJXLUEKVSFMS-CQSZACIVSA-N 1 0 381.440 1.598 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+](C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571183526 952879805 /nfs/dbraw/zinc/87/98/05/952879805.db2.gz CSYYBVDCQNIGPV-JSGCOSHPSA-N 1 0 381.444 1.282 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCC[C@H]1CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571187966 952911695 /nfs/dbraw/zinc/91/16/95/952911695.db2.gz DTQNYGZBRJRLBI-ZDUSSCGKSA-N 1 0 381.444 1.343 20 0 GDADRO Cc1ncc(C(=O)NC[C@H]2CCCN2c2cc(C)[nH+]cc2-c2nn[nH]n2)n1C ZINC001571188850 952921024 /nfs/dbraw/zinc/92/10/24/952921024.db2.gz OCRXMJWUQYMURQ-CYBMUJFWSA-N 1 0 381.444 1.011 20 0 GDADRO Cc1c(C(=O)NC[C@@H]2CCCN2c2cc(C)[nH+]cc2-c2nn[nH]n2)cnn1C ZINC001571189092 952924014 /nfs/dbraw/zinc/92/40/14/952924014.db2.gz RUAUIMAVIHQFRP-ZDUSSCGKSA-N 1 0 381.444 1.011 20 0 GDADRO Cc1ccnc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571195544 952976062 /nfs/dbraw/zinc/97/60/62/952976062.db2.gz BNBGJNSEUSNKJT-AWEZNQCLSA-N 1 0 382.403 1.109 20 0 GDADRO Cc1ccnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)n1 ZINC001571196637 952982575 /nfs/dbraw/zinc/98/25/75/952982575.db2.gz LSMQAICEMQFSPI-HDJSIYSDSA-N 1 0 382.403 1.155 20 0 GDADRO CCc1nc(C(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C)co1 ZINC001571199636 953002736 /nfs/dbraw/zinc/00/27/36/953002736.db2.gz XBZYULMMIXJWHB-VXGBXAGGSA-N 1 0 382.428 1.258 20 0 GDADRO O=C(c1cncnc1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571200715 953011291 /nfs/dbraw/zinc/01/12/91/953011291.db2.gz KHEXUWZOAYYRSD-CQSZACIVSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1nc(C)c(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)o1 ZINC001571201073 953014160 /nfs/dbraw/zinc/01/41/60/953014160.db2.gz JHFWZDHHEUFMOB-CYBMUJFWSA-N 1 0 382.428 1.314 20 0 GDADRO COc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC001571201142 953014768 /nfs/dbraw/zinc/01/47/68/953014768.db2.gz NRKDUDJZFFXUBX-HNNXBMFYSA-N 1 0 382.424 1.863 20 0 GDADRO COc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC001571201168 953015812 /nfs/dbraw/zinc/01/58/12/953015812.db2.gz OTFXHNMGQKINCZ-OAHLLOKOSA-N 1 0 382.424 1.863 20 0 GDADRO O=C(c1cnon1)N1CCCCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571205351 953037216 /nfs/dbraw/zinc/03/72/16/953037216.db2.gz HWCXDTXATYAACJ-AWEZNQCLSA-N 1 0 382.428 1.424 20 0 GDADRO Cc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@]3(C)C2)o1 ZINC001571206368 953050252 /nfs/dbraw/zinc/05/02/52/953050252.db2.gz OVNLSOMWSCPPFK-ACJLOTCBSA-N 1 0 382.428 1.085 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC34CC4)C2)cc1-c1nn[nH]n1 ZINC001571209988 953069487 /nfs/dbraw/zinc/06/94/87/953069487.db2.gz KVDMSPLPQKEODU-GOEBONIOSA-N 1 0 382.468 1.756 20 0 GDADRO O=C(N[C@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nn[nH]n1)CC2)[C@H]1CCCO1 ZINC001571210404 953072348 /nfs/dbraw/zinc/07/23/48/953072348.db2.gz QVVLLKIADHCRKS-HLIPFELVSA-N 1 0 382.468 1.659 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)CCOC1 ZINC001571210897 953075534 /nfs/dbraw/zinc/07/55/34/953075534.db2.gz ZRAIPTSPUKAHFR-NHAYFPRASA-N 1 0 382.468 1.515 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC001571217397 953108407 /nfs/dbraw/zinc/10/84/07/953108407.db2.gz KPHQPCSBBVNQTD-WDEREUQCSA-N 1 0 383.378 1.445 20 0 GDADRO Cc1ccc(F)cc1C[NH2+][C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571229359 953169072 /nfs/dbraw/zinc/16/90/72/953169072.db2.gz CSXQLPFKIFOYCP-SJCJKPOMSA-N 1 0 383.431 1.893 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC001571231423 953184103 /nfs/dbraw/zinc/18/41/03/953184103.db2.gz WMNBBGZECVUXAE-HNNXBMFYSA-N 1 0 383.431 1.771 20 0 GDADRO O=C(C1=CCOCC1)N1CCCCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571232120 953186334 /nfs/dbraw/zinc/18/63/34/953186334.db2.gz BNKPRASNNSATDI-OAHLLOKOSA-N 1 0 383.456 1.213 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571233479 953193236 /nfs/dbraw/zinc/19/32/36/953193236.db2.gz VXLJYPPVCZJENE-LPHOPBHVSA-N 1 0 383.456 1.260 20 0 GDADRO Cc1ncsc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571234003 953197640 /nfs/dbraw/zinc/19/76/40/953197640.db2.gz KHKWDHRYFBVEGT-IAQYHMDHSA-N 1 0 383.481 1.882 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC2(C[NH+](Cc3ccsc3)C2)CC1 ZINC001571234475 953202065 /nfs/dbraw/zinc/20/20/65/953202065.db2.gz ZBNCSZXRQLNUJW-UHFFFAOYSA-N 1 0 383.481 1.995 20 0 GDADRO C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC001571238949 953234117 /nfs/dbraw/zinc/23/41/17/953234117.db2.gz CXGTZVLBBMNTLL-AWEZNQCLSA-N 1 0 384.419 1.466 20 0 GDADRO CCn1ccnc1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571238894 953234366 /nfs/dbraw/zinc/23/43/66/953234366.db2.gz BSHMGVBSOPTPOW-CQSZACIVSA-N 1 0 384.419 1.227 20 0 GDADRO C[C@H]1CN(C(=O)c2n[nH]cc2F)CC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571238997 953234475 /nfs/dbraw/zinc/23/44/75/953234475.db2.gz DULXGKKGIVOMJW-XHDPSFHLSA-N 1 0 384.419 1.369 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239400 953238883 /nfs/dbraw/zinc/23/88/83/953238883.db2.gz KIOYPHAVKOJNBD-ZDUSSCGKSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1n[nH]cc1C(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239751 953241938 /nfs/dbraw/zinc/24/19/38/953241938.db2.gz RYDUFUPHWPLKNG-UHFFFAOYSA-N 1 0 384.419 1.430 20 0 GDADRO O=C(Cc1ccoc1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571239713 953242305 /nfs/dbraw/zinc/24/23/05/953242305.db2.gz RCLOZRJDFDSNRW-OAHLLOKOSA-N 1 0 384.415 1.922 20 0 GDADRO Cc1c[nH]nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239961 953244517 /nfs/dbraw/zinc/24/45/17/953244517.db2.gz VVGSJMKBKFONEL-IAQYHMDHSA-N 1 0 384.419 1.288 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H]1C ZINC001571240058 953245931 /nfs/dbraw/zinc/24/59/31/953245931.db2.gz YOIGGYDLYVHQBB-XHDPSFHLSA-N 1 0 384.419 1.430 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ncc[nH]1 ZINC001571241692 953248987 /nfs/dbraw/zinc/24/89/87/953248987.db2.gz IQMMYMXFFNMPQL-UKRRQHHQSA-N 1 0 384.419 1.417 20 0 GDADRO Cc1nn(C)c(F)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571242243 953254549 /nfs/dbraw/zinc/25/45/49/953254549.db2.gz XKXYGQABODKTTJ-ZDUSSCGKSA-N 1 0 384.419 1.052 20 0 GDADRO CC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1[NH2+]Cc1ncc(C)o1 ZINC001571243164 953263615 /nfs/dbraw/zinc/26/36/15/953263615.db2.gz XQUIVCGMZDVVSQ-TZMCWYRMSA-N 1 0 384.444 1.522 20 0 GDADRO Cc1cc(NC[C@]2(C)CCN(C(=O)c3ccns3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245142 953270552 /nfs/dbraw/zinc/27/05/52/953270552.db2.gz OPUHJEQPTXDAOW-KRWDZBQOSA-N 1 0 384.469 1.413 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2nccs2)C1 ZINC001571245400 953272892 /nfs/dbraw/zinc/27/28/92/953272892.db2.gz HNUZACABRCYOEQ-RYUDHWBXSA-N 1 0 384.469 1.493 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC001571246354 953282808 /nfs/dbraw/zinc/28/28/08/953282808.db2.gz YSJLKGXGMLDHQD-FZMZJTMJSA-N 1 0 384.469 1.359 20 0 GDADRO Cc1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)o1 ZINC001571247520 953283220 /nfs/dbraw/zinc/28/32/20/953283220.db2.gz ACGJPSHXWOJHRG-MFKMUULPSA-N 1 0 384.444 1.298 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cncnc1 ZINC001571247757 953286153 /nfs/dbraw/zinc/28/61/53/953286153.db2.gz DIAQMOAYKXGMFS-CHWSQXEVSA-N 1 0 384.469 1.549 20 0 GDADRO O=C(c1csnn1)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571247796 953286263 /nfs/dbraw/zinc/28/62/63/953286263.db2.gz FIHPLNFNCYWITB-UHFFFAOYSA-N 1 0 384.469 1.360 20 0 GDADRO Cc1nnsc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H]1C ZINC001571247881 953287330 /nfs/dbraw/zinc/28/73/30/953287330.db2.gz HBLUBFBNCNDGIJ-SMDDNHRTSA-N 1 0 384.469 1.419 20 0 GDADRO CC1(C)CO[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571247899 953287387 /nfs/dbraw/zinc/28/73/87/953287387.db2.gz HVUFRZRIBDIFBT-JYJNAYRXSA-N 1 0 384.484 1.809 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571247980 953287894 /nfs/dbraw/zinc/28/78/94/953287894.db2.gz KINNLQHGVMBKIM-NXHRZFHOSA-N 1 0 384.484 1.715 20 0 GDADRO O=C(Cc1cscn1)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571248190 953290423 /nfs/dbraw/zinc/29/04/23/953290423.db2.gz NCPBUGAZVCGYRM-RISCZKNCSA-N 1 0 384.469 1.080 20 0 GDADRO CO[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001571248299 953291440 /nfs/dbraw/zinc/29/14/40/953291440.db2.gz PWKMSHYRURQLBJ-AEFFLSMTSA-N 1 0 384.484 1.762 20 0 GDADRO Cc1nc(CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)s1 ZINC001571248375 953292397 /nfs/dbraw/zinc/29/23/97/953292397.db2.gz RWVOYQBPTBKZOG-TXEJJXNPSA-N 1 0 384.469 1.059 20 0 GDADRO CCN(C(=O)C1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248665 953296221 /nfs/dbraw/zinc/29/62/21/953296221.db2.gz XEQMTLDRMCSLOL-KRWDZBQOSA-N 1 0 384.484 1.716 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC001571248689 953296336 /nfs/dbraw/zinc/29/63/36/953296336.db2.gz XRHVPAFDPJJHGW-AEFFLSMTSA-N 1 0 384.484 1.716 20 0 GDADRO Cc1oncc1C[NH2+][C@H](C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571248948 953298495 /nfs/dbraw/zinc/29/84/95/953298495.db2.gz MLWAYQOXOZHLLX-LLVKDONJSA-N 1 0 384.444 1.522 20 0 GDADRO Cc1ncc(C[NH2+]C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C)o1 ZINC001571248956 953299496 /nfs/dbraw/zinc/29/94/96/953299496.db2.gz MWJRWERMKTWXBB-AAEUAGOBSA-N 1 0 384.444 1.379 20 0 GDADRO O=C(C[C@@H]1CCCOC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571249054 953300950 /nfs/dbraw/zinc/30/09/50/953300950.db2.gz BXUDOJRRPCAGEI-KRWDZBQOSA-N 1 0 384.484 1.718 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001571249192 953301483 /nfs/dbraw/zinc/30/14/83/953301483.db2.gz FPHAJRNETVSCCK-CJNGLKHVSA-N 1 0 384.488 1.077 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c(C)o1 ZINC001571249430 953304284 /nfs/dbraw/zinc/30/42/84/953304284.db2.gz POWBGLKEPNAXLF-UONOGXRCSA-N 1 0 384.444 1.630 20 0 GDADRO O=C(CC[C@@H]1CCCCO1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571249782 953307478 /nfs/dbraw/zinc/30/74/78/953307478.db2.gz LZXUTJSGWRVOIJ-ROUUACIJSA-N 1 0 384.484 1.907 20 0 GDADRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H](C)C3CC3)C2)cc1-c1nn[nH]n1 ZINC001571250205 953309413 /nfs/dbraw/zinc/30/94/13/953309413.db2.gz OILNSXUOXHPUOT-YGONEPDPSA-N 1 0 384.484 1.906 20 0 GDADRO C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571250608 953312830 /nfs/dbraw/zinc/31/28/30/953312830.db2.gz REDTYCPVUJGBNW-HIFRSBDPSA-N 1 0 384.488 1.252 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)c(C)o1 ZINC001571251326 953316447 /nfs/dbraw/zinc/31/64/47/953316447.db2.gz UDWDYEGFQCJXON-GWCFXTLKSA-N 1 0 384.444 1.440 20 0 GDADRO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571252357 953327220 /nfs/dbraw/zinc/32/72/20/953327220.db2.gz LNJOWVJBJWXMRU-GJZGRUSLSA-N 1 0 384.488 1.539 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571252885 953333503 /nfs/dbraw/zinc/33/35/03/953333503.db2.gz YBSODYHTQRQTOY-MRXNPFEDSA-N 1 0 384.488 1.397 20 0 GDADRO O=C(Cc1cnoc1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571255383 953349269 /nfs/dbraw/zinc/34/92/69/953349269.db2.gz OJYJKLNOYZPXKC-OAHLLOKOSA-N 1 0 385.403 1.317 20 0 GDADRO C[NH+](C)CCSc1nc(CC(=O)NC2CC[NH+](CC(=O)[O-])CC2)cs1 ZINC001604071864 972462208 /nfs/dbraw/zinc/46/22/08/972462208.db2.gz SRYKDFOWPOYJIO-UHFFFAOYSA-N 1 0 386.543 1.005 20 0 GDADRO CCN1CCC([NH+]2CCC(C(=O)N3CC[NH+]([C@@H](C)CC(=O)[O-])CC3)CC2)CC1 ZINC001354059475 962706302 /nfs/dbraw/zinc/70/63/02/962706302.db2.gz SKGBSJZDFDEILV-KRWDZBQOSA-N 1 0 394.560 1.190 20 0 GDADRO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC001592706786 979179503 /nfs/dbraw/zinc/17/95/03/979179503.db2.gz MXISTKBBSMXQBF-HZPDHXFCSA-N 1 0 376.501 1.575 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001596418840 984047788 /nfs/dbraw/zinc/04/77/88/984047788.db2.gz WCQGSIXUUYLLAK-HNNXBMFYSA-N 1 0 377.489 1.968 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC001594518853 985935181 /nfs/dbraw/zinc/93/51/81/985935181.db2.gz DRNHATWKKZTODQ-MRXNPFEDSA-N 1 0 392.500 1.317 20 0 GDADRO CCOc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001597017137 986391466 /nfs/dbraw/zinc/39/14/66/986391466.db2.gz USCMDHKUMMNYSV-HZPDHXFCSA-N 1 0 392.500 1.987 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001589397504 986538922 /nfs/dbraw/zinc/53/89/22/986538922.db2.gz FGYHGIGXANMYKI-GEALJGNFSA-N 1 0 385.508 1.808 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)O[C@H]1C(=O)[O-] ZINC001599870864 989348099 /nfs/dbraw/zinc/34/80/99/989348099.db2.gz KXXVMMFIFOGQJF-IQZDNPOKSA-N 1 0 395.544 1.660 20 0 GDADRO C[N@@H+]1CCN(C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C[C@H](C(=O)[O-])C1 ZINC001598609598 993742325 /nfs/dbraw/zinc/74/23/25/993742325.db2.gz MIVSSHGSNIWPSA-RTBURBONSA-N 1 0 388.512 1.699 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001593232388 994384542 /nfs/dbraw/zinc/38/45/42/994384542.db2.gz VOIPCXRWMXGRDF-HNNXBMFYSA-N 1 0 377.485 1.790 20 0 GDADRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC[Si](C)(C)CC[NH+]3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)C[C@@H]21 ZINC001598902343 997196106 /nfs/dbraw/zinc/19/61/06/997196106.db2.gz SOWWOKWWPVSVKE-QIYORIJCSA-N 1 0 380.561 1.308 20 0 GDADRO COc1cc(C[N@H+](CCN2CC[NH+](C)CC2)CC(=O)[O-])cc(Cl)c1OC ZINC001599406944 997327310 /nfs/dbraw/zinc/32/73/10/997327310.db2.gz POVRYMUCXPJTJU-UHFFFAOYSA-N 1 0 385.892 1.491 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(=O)n3ccsc3n2)cc1OC ZINC000933446258 1126143555 /nfs/dbraw/zinc/14/35/55/1126143555.db2.gz QWUYPSRWJVDNHL-LJQANCHMSA-N 1 0 389.477 1.857 20 0 GDADRO CNC(=O)Cc1nc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)cs1 ZINC001473840291 1126200812 /nfs/dbraw/zinc/20/08/12/1126200812.db2.gz VBKMMDVPTRIVFI-LJQANCHMSA-N 1 0 393.509 1.532 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)cc1OC ZINC001620625230 1126242344 /nfs/dbraw/zinc/24/23/44/1126242344.db2.gz OWHVJLOGIJUURT-IBGZPJMESA-N 1 0 387.440 1.169 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c(F)c1 ZINC001649416305 1126251180 /nfs/dbraw/zinc/25/11/80/1126251180.db2.gz WGAQEDVAPDXLGZ-CQSZACIVSA-N 1 0 377.441 1.648 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000008317578 530548832 /nfs/dbraw/zinc/54/88/32/530548832.db2.gz YNTVGTFABFTGLO-UHFFFAOYSA-N 1 0 398.301 1.484 20 0 GDADRO C[N@H+](CCCO)C1CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000158337053 530532025 /nfs/dbraw/zinc/53/20/25/530532025.db2.gz BUAUUIVGACYACN-MRXNPFEDSA-N 1 0 384.318 1.754 20 0 GDADRO C[NH+](C)C1CN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000158392983 530532605 /nfs/dbraw/zinc/53/26/05/530532605.db2.gz KMSRLKCTXMADOK-UHFFFAOYSA-N 1 0 394.269 1.598 20 0 GDADRO Cc1cc(Br)c(S(=O)(=O)NC2C[NH2+]C2)cc1Br ZINC000158628817 530534911 /nfs/dbraw/zinc/53/49/11/530534911.db2.gz SOMNRXWECCRTQA-UHFFFAOYSA-N 1 0 384.093 1.770 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000158914836 530537724 /nfs/dbraw/zinc/53/77/24/530537724.db2.gz YNARHLOKNVVIMS-CYBMUJFWSA-N 1 0 377.304 1.574 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)c(F)c1 ZINC000158931702 530537848 /nfs/dbraw/zinc/53/78/48/530537848.db2.gz XNELJCXNTYFMTC-NSHDSACASA-N 1 0 395.294 1.713 20 0 GDADRO [NH3+]C[C@@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)C1CC1 ZINC000159152121 530540643 /nfs/dbraw/zinc/54/06/43/530540643.db2.gz SDBMYKIYICZVLI-CYBMUJFWSA-N 1 0 392.308 1.901 20 0 GDADRO CC[C@H](C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[NH+](C)C ZINC000159203422 530541166 /nfs/dbraw/zinc/54/11/66/530541166.db2.gz PCEAPVNIBXOSIS-GFCCVEGCSA-N 1 0 393.962 1.965 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1Cl ZINC000161668441 530563279 /nfs/dbraw/zinc/56/32/79/530563279.db2.gz UWKKAIZPFNLKIY-CYBMUJFWSA-N 1 0 376.906 1.720 20 0 GDADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000162065612 530565831 /nfs/dbraw/zinc/56/58/31/530565831.db2.gz VMDGONGMENLONN-UHFFFAOYSA-N 1 0 376.201 1.830 20 0 GDADRO CC(C)Cc1ncc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)s1 ZINC000162590657 530569306 /nfs/dbraw/zinc/56/93/06/530569306.db2.gz SDSTWOWCHSHOHN-AWEZNQCLSA-N 1 0 375.560 1.920 20 0 GDADRO CCN(c1ccc(C(=O)CSc2nc(N)cc(N)[nH+]2)cc1)S(C)(=O)=O ZINC000021316367 530570451 /nfs/dbraw/zinc/57/04/51/530570451.db2.gz KTHOIPFOUUJLML-UHFFFAOYSA-N 1 0 381.483 1.402 20 0 GDADRO CC(C)(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1ccc(Br)cc1 ZINC000162925417 530571444 /nfs/dbraw/zinc/57/14/44/530571444.db2.gz KDYJLDWUQZCUFW-CYBMUJFWSA-N 1 0 391.331 1.605 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000022989582 530574219 /nfs/dbraw/zinc/57/42/19/530574219.db2.gz AYVVXEKUAOTCBZ-UHFFFAOYSA-N 1 0 387.933 1.997 20 0 GDADRO C[C@@H](CNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[NH+](C)C ZINC000025149235 530579906 /nfs/dbraw/zinc/57/99/06/530579906.db2.gz KFGZMECRPBMAJS-JTQLQIEISA-N 1 0 382.258 1.502 20 0 GDADRO CO[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2Br)[C@@H](C[NH3+])C1 ZINC000167301710 530584048 /nfs/dbraw/zinc/58/40/48/530584048.db2.gz FJAJQUIMICXXDK-NEPJUHHUSA-N 1 0 377.304 1.884 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000170845300 530589646 /nfs/dbraw/zinc/58/96/46/530589646.db2.gz RWPFKLYOGSASLA-LBPRGKRZSA-N 1 0 387.221 1.392 20 0 GDADRO CS(=O)(=O)N1CCC(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000032762372 530609298 /nfs/dbraw/zinc/60/92/98/530609298.db2.gz QMMUVOCCVUXJJY-HNNXBMFYSA-N 1 0 385.555 1.673 20 0 GDADRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc(I)cc1 ZINC000036299780 530614042 /nfs/dbraw/zinc/61/40/42/530614042.db2.gz AJHACYXVZQOFLN-UHFFFAOYSA-N 1 0 382.267 1.958 20 0 GDADRO COCCNC(=O)CN1CCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000169185615 530585535 /nfs/dbraw/zinc/58/55/35/530585535.db2.gz IPHKPUIWIOMGIH-AWEZNQCLSA-N 1 0 384.318 1.890 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170684593 530587278 /nfs/dbraw/zinc/58/72/78/530587278.db2.gz ZSDLEAPAFIBRAA-GFCCVEGCSA-N 1 0 391.946 1.767 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(C)(C)[NH+](C)C)C2)s1 ZINC000041970869 530625732 /nfs/dbraw/zinc/62/57/32/530625732.db2.gz SMLIMQNDLMADPO-AWEZNQCLSA-N 1 0 387.571 1.914 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000173204308 530626015 /nfs/dbraw/zinc/62/60/15/530626015.db2.gz ATZRXCMTUSKWQC-UHFFFAOYSA-N 1 0 383.283 1.835 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000173382490 530629087 /nfs/dbraw/zinc/62/90/87/530629087.db2.gz FNINGPCWIWAMFE-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2cccc(I)c2)CC1 ZINC000042590187 530629682 /nfs/dbraw/zinc/62/96/82/530629682.db2.gz LGYJXOYPOCJQOU-UHFFFAOYSA-N 1 0 387.265 1.659 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2nc(C(F)(F)F)cs2)CC1=O ZINC000173446503 530630529 /nfs/dbraw/zinc/63/05/29/530630529.db2.gz ABOZDIVWASRLBT-JTQLQIEISA-N 1 0 378.420 1.231 20 0 GDADRO CC(C)[NH+]1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000042891897 530631861 /nfs/dbraw/zinc/63/18/61/530631861.db2.gz JCCRMQPDEDWURS-UHFFFAOYSA-N 1 0 396.285 1.727 20 0 GDADRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC000043473185 530635021 /nfs/dbraw/zinc/63/50/21/530635021.db2.gz OUBFCYZHQWBHER-ZDUSSCGKSA-N 1 0 388.559 1.707 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCC[NH+]2CCCC2)s1 ZINC000043660077 530635847 /nfs/dbraw/zinc/63/58/47/530635847.db2.gz JCZODLXQUGJDLU-OAHLLOKOSA-N 1 0 385.555 1.812 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000044295493 530637554 /nfs/dbraw/zinc/63/75/54/530637554.db2.gz FQXULWKGYPYVGH-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO CS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000044376584 530638228 /nfs/dbraw/zinc/63/82/28/530638228.db2.gz MKACEKMYVJKHTD-GJZGRUSLSA-N 1 0 385.555 1.673 20 0 GDADRO O=C1C[C@H]([NH2+]Cc2cc(Br)cs2)CN1CCN1CCOCC1 ZINC000172697716 530617293 /nfs/dbraw/zinc/61/72/93/530617293.db2.gz VHHGGNGLOSANFZ-ZDUSSCGKSA-N 1 0 388.331 1.533 20 0 GDADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000176360969 530681743 /nfs/dbraw/zinc/68/17/43/530681743.db2.gz XDWXKYQBDOPSDI-JTQLQIEISA-N 1 0 389.237 1.544 20 0 GDADRO C[C@@H](O)CN1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@H]1C ZINC000174304157 530646271 /nfs/dbraw/zinc/64/62/71/530646271.db2.gz MDQRZFNVYQXBPN-GHMZBOCLSA-N 1 0 381.274 1.853 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)Cn2cc(Br)ccc2=O)C[C@H](C)O1 ZINC000046028619 530648089 /nfs/dbraw/zinc/64/80/89/530648089.db2.gz RJLLOVPKZXTZCP-STQMWFEESA-N 1 0 386.290 1.226 20 0 GDADRO CC(C)[C@@H](CNC(=O)NCCCN(C)S(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC000049123282 530672171 /nfs/dbraw/zinc/67/21/71/530672171.db2.gz GMLQTPIMZWUMTA-MRXNPFEDSA-N 1 0 376.567 1.324 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000175998792 530674923 /nfs/dbraw/zinc/67/49/23/530674923.db2.gz YCAYKGKZTFIXGB-UHFFFAOYSA-N 1 0 382.511 1.991 20 0 GDADRO O=S(=O)(C[C@H]1CCOC1)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000178396522 530720212 /nfs/dbraw/zinc/72/02/12/530720212.db2.gz RCDVITDUWNOYOJ-HNNXBMFYSA-N 1 0 387.933 1.418 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000052693540 530687356 /nfs/dbraw/zinc/68/73/56/530687356.db2.gz KJLWQAWLHGNCNT-CYBMUJFWSA-N 1 0 384.527 1.992 20 0 GDADRO O=c1cc(CN2CC[NH+](CC3CC3)CC2)nc2ccc(Br)cn12 ZINC000053237140 530691423 /nfs/dbraw/zinc/69/14/23/530691423.db2.gz JUKXVBXBBPLFTF-UHFFFAOYSA-N 1 0 377.286 1.985 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cn1C ZINC000176793297 530691529 /nfs/dbraw/zinc/69/15/29/530691529.db2.gz XWQHEOSEBVIRNE-UHFFFAOYSA-N 1 0 385.511 1.626 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(I)c2)CC1 ZINC000053304703 530691593 /nfs/dbraw/zinc/69/15/93/530691593.db2.gz MNDLUHROGASWPA-UHFFFAOYSA-N 1 0 387.265 1.611 20 0 GDADRO C[C@H]1C[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000177202421 530698423 /nfs/dbraw/zinc/69/84/23/530698423.db2.gz NGCNMAKWSDXOIT-JSGCOSHPSA-N 1 0 385.917 1.702 20 0 GDADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC000054805266 530702968 /nfs/dbraw/zinc/70/29/68/530702968.db2.gz WZBHNFSCBXLXLZ-GFCCVEGCSA-N 1 0 388.559 1.705 20 0 GDADRO C[C@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCC1)C[NH+]1CCCC1 ZINC000055539931 530708924 /nfs/dbraw/zinc/70/89/24/530708924.db2.gz VDPOXVRMFPJNFL-CQSZACIVSA-N 1 0 385.555 1.994 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000055978436 530713748 /nfs/dbraw/zinc/71/37/48/530713748.db2.gz BDSKGTHUJKRLQJ-UHFFFAOYSA-N 1 0 391.331 1.820 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(F)cc2Br)C1 ZINC000060369170 530735956 /nfs/dbraw/zinc/73/59/56/530735956.db2.gz LIFIQFOEWIGIGZ-LLVKDONJSA-N 1 0 386.265 1.905 20 0 GDADRO CCC[NH+]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000060777423 530738183 /nfs/dbraw/zinc/73/81/83/530738183.db2.gz ZANHREXKGFBDTK-UHFFFAOYSA-N 1 0 394.269 1.599 20 0 GDADRO Cn1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)ccc1=O ZINC000056996887 530722042 /nfs/dbraw/zinc/72/20/42/530722042.db2.gz KQPBTGULJVUDSW-UHFFFAOYSA-N 1 0 393.285 1.747 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000178745980 530727496 /nfs/dbraw/zinc/72/74/96/530727496.db2.gz GZDSCUJEENHADV-HNNXBMFYSA-N 1 0 385.917 1.609 20 0 GDADRO O=C(CN1CC[NH+](C[C@H]2CCOC2)CC1)Nc1ccc(Br)cn1 ZINC000178825542 530728614 /nfs/dbraw/zinc/72/86/14/530728614.db2.gz VOZDLIQNVSUOFC-CYBMUJFWSA-N 1 0 383.290 1.437 20 0 GDADRO CCCN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@H]1CC[NH2+]C1 ZINC000178933436 530731562 /nfs/dbraw/zinc/73/15/62/530731562.db2.gz WFLAIZPMYRBJAR-JTQLQIEISA-N 1 0 390.303 1.311 20 0 GDADRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c(Br)c1 ZINC000179010913 530733479 /nfs/dbraw/zinc/73/34/79/530733479.db2.gz YXEHDPHOUKBTLD-INIZCTEOSA-N 1 0 396.329 1.780 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](C)C1CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000058857968 530734506 /nfs/dbraw/zinc/73/45/06/530734506.db2.gz GKCLSRJBVHLLTM-SNVBAGLBSA-N 1 0 394.269 1.644 20 0 GDADRO CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000179092982 530735141 /nfs/dbraw/zinc/73/51/41/530735141.db2.gz QATZJNUBZHASMT-CABCVRRESA-N 1 0 380.286 1.874 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Br)n1 ZINC000179860274 530751911 /nfs/dbraw/zinc/75/19/11/530751911.db2.gz PQKWCAXKQVWAAP-WDEREUQCSA-N 1 0 381.274 1.832 20 0 GDADRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000065971395 530757139 /nfs/dbraw/zinc/75/71/39/530757139.db2.gz CJUWYJDLBCJQAL-UHFFFAOYSA-N 1 0 389.543 1.219 20 0 GDADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066160795 530759281 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Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)c(Br)n1 ZINC000181452145 530783370 /nfs/dbraw/zinc/78/33/70/530783370.db2.gz QMFILFCZVCBKEK-UHFFFAOYSA-N 1 0 399.289 1.320 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000182269113 530797218 /nfs/dbraw/zinc/79/72/18/530797218.db2.gz CRPYQEKQSOYAMS-OCCSQVGLSA-N 1 0 386.543 1.282 20 0 GDADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000182662938 530803032 /nfs/dbraw/zinc/80/30/32/530803032.db2.gz VWZAWNSBDFWBLT-LSDHHAIUSA-N 1 0 394.946 1.564 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000071798313 530804602 /nfs/dbraw/zinc/80/46/02/530804602.db2.gz DTRBJKJGCLTPJZ-UHFFFAOYSA-N 1 0 375.922 1.712 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)C1 ZINC000182804994 530804792 /nfs/dbraw/zinc/80/47/92/530804792.db2.gz YGNRANGIAVUYSQ-LBPRGKRZSA-N 1 0 383.290 1.891 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181681974 530788497 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Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+]3CCC2CC3)s1 ZINC000188653738 530898587 /nfs/dbraw/zinc/89/85/87/530898587.db2.gz LRAPBPGUWWPZLN-OAHLLOKOSA-N 1 0 383.539 1.516 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)[NH+]1CCC(C)CC1 ZINC000116332787 530903743 /nfs/dbraw/zinc/90/37/43/530903743.db2.gz IKPBBEUSZONGFR-HNNXBMFYSA-N 1 0 388.555 1.630 20 0 GDADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116783804 530906653 /nfs/dbraw/zinc/90/66/53/530906653.db2.gz FQUQKCNFMUQZEQ-RYUDHWBXSA-N 1 0 388.295 1.901 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000113267797 530887657 /nfs/dbraw/zinc/88/76/57/530887657.db2.gz XQDHSPVXBXHIDE-QWHCGFSZSA-N 1 0 385.917 1.851 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000113290834 530888292 /nfs/dbraw/zinc/88/82/92/530888292.db2.gz JZGXCLZCLBAMQU-ZDUSSCGKSA-N 1 0 379.448 1.761 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](C[NH+](C)C)C2)s1 ZINC000113456506 530889843 /nfs/dbraw/zinc/88/98/43/530889843.db2.gz XQARDJAQTAJMMZ-HUUCEWRRSA-N 1 0 385.555 1.620 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000113983853 530892574 /nfs/dbraw/zinc/89/25/74/530892574.db2.gz WDSHTLHTFSKATM-LBPRGKRZSA-N 1 0 384.274 1.859 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000114199807 530893152 /nfs/dbraw/zinc/89/31/52/530893152.db2.gz OFNGAVBZEPZLQW-LBPRGKRZSA-N 1 0 375.441 1.505 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cccc(Br)n2)CC1 ZINC000188495844 530895697 /nfs/dbraw/zinc/89/56/97/530895697.db2.gz QNECJCQPUDTBHD-UHFFFAOYSA-N 1 0 398.305 1.862 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)nc2)[C@H](C)C1 ZINC000119844606 530931598 /nfs/dbraw/zinc/93/15/98/530931598.db2.gz ODDMVXRBXDFKOR-YPMHNXCESA-N 1 0 383.290 1.971 20 0 GDADRO C[C@@H]1CN(c2ncnc3ccc(I)cc32)CC[N@@H+]1CCO ZINC000189398034 530912107 /nfs/dbraw/zinc/91/21/07/530912107.db2.gz PMTJEJLSMLJWIM-LLVKDONJSA-N 1 0 398.248 1.737 20 0 GDADRO 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ZINC000237797607 531050291 /nfs/dbraw/zinc/05/02/91/531050291.db2.gz ZYJWFVMTLJMOGI-UHFFFAOYSA-N 1 0 391.228 1.455 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000237829366 531050720 /nfs/dbraw/zinc/05/07/20/531050720.db2.gz WNWPASSGDOKRHN-LBPRGKRZSA-N 1 0 382.258 1.514 20 0 GDADRO [NH3+][C@H]1CC[C@H](C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000237893776 531052352 /nfs/dbraw/zinc/05/23/52/531052352.db2.gz MLUVYQRLWHZOTH-KBPBESRZSA-N 1 0 385.555 1.709 20 0 GDADRO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)C1 ZINC000237931538 531052877 /nfs/dbraw/zinc/05/28/77/531052877.db2.gz INQXAAFRVMFAAP-SECBINFHSA-N 1 0 389.264 1.261 20 0 GDADRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000237969263 531053565 /nfs/dbraw/zinc/05/35/65/531053565.db2.gz MPNFGGZATKOBAE-GFCCVEGCSA-N 1 0 379.404 1.481 20 0 GDADRO [NH3+]CC1(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CCCC1 ZINC000238023134 531053740 /nfs/dbraw/zinc/05/37/40/531053740.db2.gz 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Cc1ccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1 ZINC000261903141 531102200 /nfs/dbraw/zinc/10/22/00/531102200.db2.gz WTKOSLUWWHMVJB-CYBMUJFWSA-N 1 0 385.839 1.763 20 0 GDADRO C[C@H]1C[NH2+]CCN1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000261910165 531102308 /nfs/dbraw/zinc/10/23/08/531102308.db2.gz XYOUSFGMMGICRX-LBPRGKRZSA-N 1 0 388.921 1.213 20 0 GDADRO [NH3+][C@H](CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C1CC1 ZINC000261891046 531102368 /nfs/dbraw/zinc/10/23/68/531102368.db2.gz BZSZIHAQDLKRTB-LLVKDONJSA-N 1 0 378.523 1.972 20 0 GDADRO COCC1(CNS(=O)(=O)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000261948459 531103325 /nfs/dbraw/zinc/10/33/25/531103325.db2.gz FRALRJSQYTZWJE-UHFFFAOYSA-N 1 0 378.292 1.139 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000261967872 531103682 /nfs/dbraw/zinc/10/36/82/531103682.db2.gz BEBQYGGRKUWNIR-DOMZBBRYSA-N 1 0 384.274 1.488 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000131294455 531069678 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COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000276921927 531240040 /nfs/dbraw/zinc/24/00/40/531240040.db2.gz HGLXNPTWJYWHLX-HNNXBMFYSA-N 1 0 378.256 1.369 20 0 GDADRO C[NH+](C)CCCOC1CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000472509347 531232548 /nfs/dbraw/zinc/23/25/48/531232548.db2.gz XKTQYGHODALTBN-UHFFFAOYSA-N 1 0 385.306 1.880 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000520689718 531234387 /nfs/dbraw/zinc/23/43/87/531234387.db2.gz OUTVXZZLPBDHBK-LLVKDONJSA-N 1 0 389.905 1.529 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1C ZINC000290489091 531236041 /nfs/dbraw/zinc/23/60/41/531236041.db2.gz VYLLPTAOZLMDDO-KRWDZBQOSA-N 1 0 385.555 1.135 20 0 GDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CCO1 ZINC000265248876 531236986 /nfs/dbraw/zinc/23/69/86/531236986.db2.gz AGGDIUVYQUORKG-ZDUSSCGKSA-N 1 0 382.404 1.579 20 0 GDADRO COC(=O)CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(C)C ZINC000472735911 531238687 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1.738 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1nc2ccccn2c1Br ZINC000290565884 531241039 /nfs/dbraw/zinc/24/10/39/531241039.db2.gz ZZNUZYQFODADJG-ZDUSSCGKSA-N 1 0 380.290 1.526 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000521217374 531241546 /nfs/dbraw/zinc/24/15/46/531241546.db2.gz YCHVPULEIIJLQQ-WFASDCNBSA-N 1 0 395.301 1.631 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000265347255 531244717 /nfs/dbraw/zinc/24/47/17/531244717.db2.gz AJBDVILYUZOKJO-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000521436423 531245883 /nfs/dbraw/zinc/24/58/83/531245883.db2.gz WSAXYNQCWILSLC-COPLHBTASA-N 1 0 383.290 1.750 20 0 GDADRO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000290791459 531256710 /nfs/dbraw/zinc/25/67/10/531256710.db2.gz QLTIELXENJNGSG-HNNXBMFYSA-N 1 0 376.500 1.399 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1c(F)cccc1F ZINC000523377605 531266116 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C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)C1 ZINC000409938550 531271031 /nfs/dbraw/zinc/27/10/31/531271031.db2.gz SHILFRLKVHCZHM-SZMVWBNQSA-N 1 0 379.298 1.836 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)CCOCC1 ZINC000265626935 531271580 /nfs/dbraw/zinc/27/15/80/531271580.db2.gz QYWLKCPPAQTCHE-UHFFFAOYSA-N 1 0 390.889 1.500 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000474671077 531280461 /nfs/dbraw/zinc/28/04/61/531280461.db2.gz GYKDUBYBUXRSKI-SWHYSGLUSA-N 1 0 383.290 1.757 20 0 GDADRO Cc1nc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)sc1SCC(N)=O ZINC000524852889 531281715 /nfs/dbraw/zinc/28/17/15/531281715.db2.gz RHGSVJJZNBONLA-ZDUSSCGKSA-N 1 0 386.543 1.761 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Br)c(F)cc1F ZINC000277470904 531285313 /nfs/dbraw/zinc/28/53/13/531285313.db2.gz ISAWFFMTEZCRAM-ZDUSSCGKSA-N 1 0 390.228 1.797 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000410432801 531288268 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O[C@H](COc1ccc(Br)cc1)CN1CC[NH+](C2CCOCC2)CC1 ZINC000475747183 531303139 /nfs/dbraw/zinc/30/31/39/531303139.db2.gz JSYTWBFHGFTDSJ-KRWDZBQOSA-N 1 0 399.329 1.985 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000265915124 531297885 /nfs/dbraw/zinc/29/78/85/531297885.db2.gz AGRVZECQDICVNT-TZMCWYRMSA-N 1 0 380.539 1.788 20 0 GDADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1c[nH]c(=O)c(Br)c1 ZINC000266068245 531308567 /nfs/dbraw/zinc/30/85/67/531308567.db2.gz DOSKQMJHVZBBAA-UHFFFAOYSA-N 1 0 384.274 1.925 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411374620 531318842 /nfs/dbraw/zinc/31/88/42/531318842.db2.gz DIPBDEXKRSWYOI-NSHDSACASA-N 1 0 390.303 1.531 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000438910074 531311307 /nfs/dbraw/zinc/31/13/07/531311307.db2.gz LDHHNHOYOTZBOP-UHFFFAOYSA-N 1 0 378.397 1.388 20 0 GDADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000438943150 531312187 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391.251 1.848 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ncsc1C(F)(F)F ZINC000279635941 531446417 /nfs/dbraw/zinc/44/64/17/531446417.db2.gz WBYFTOYLRAAZEB-SNVBAGLBSA-N 1 0 378.420 1.834 20 0 GDADRO C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C1CCS(=O)(=O)CC1 ZINC000279659993 531448320 /nfs/dbraw/zinc/44/83/20/531448320.db2.gz LTEQOCHRCFLQJT-QMTHXVAHSA-N 1 0 389.315 1.778 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)NCCCCn1cc(Br)cn1 ZINC000279581861 531443279 /nfs/dbraw/zinc/44/32/79/531443279.db2.gz QQIZRZYMVUQDKD-UHFFFAOYSA-N 1 0 390.326 1.693 20 0 GDADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)CCCCCO)ccc1Cl ZINC000279783148 531453177 /nfs/dbraw/zinc/45/31/77/531453177.db2.gz UOBPKVAFMIYRGO-UHFFFAOYSA-N 1 0 391.921 1.623 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000537262243 531457868 /nfs/dbraw/zinc/45/78/68/531457868.db2.gz BZOOENDVMHWOKR-UHFFFAOYSA-N 1 0 385.873 1.060 20 0 GDADRO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1c(Br)cnn1C ZINC000279821301 531455657 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C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415372235 531481036 /nfs/dbraw/zinc/48/10/36/531481036.db2.gz HFVRSROUUXLREC-ZETCQYMHSA-N 1 0 379.173 1.222 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415382312 531481748 /nfs/dbraw/zinc/48/17/48/531481748.db2.gz RYGIPDRRVBUKIT-LLVKDONJSA-N 1 0 392.257 1.442 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000415408678 531483535 /nfs/dbraw/zinc/48/35/35/531483535.db2.gz CNAVNKQFPHMPCB-VIFPVBQESA-N 1 0 385.255 1.484 20 0 GDADRO Cc1cc(F)c(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(I)c1 ZINC000415404513 531483551 /nfs/dbraw/zinc/48/35/51/531483551.db2.gz MXMBRLWXFPGGSG-GZMMTYOYSA-N 1 0 393.200 1.441 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)N(CC[NH3+])CCO ZINC000415427890 531485318 /nfs/dbraw/zinc/48/53/18/531485318.db2.gz PHMJPGSDHUKQNE-UHFFFAOYSA-N 1 0 376.251 1.259 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)CC[NH2+]1 ZINC000415425889 531485325 /nfs/dbraw/zinc/48/53/25/531485325.db2.gz DFNXGSILZWUNFO-JTQLQIEISA-N 1 0 377.242 1.756 20 0 GDADRO C[C@@]1(O)CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000280287802 531486058 /nfs/dbraw/zinc/48/60/58/531486058.db2.gz ZJJWWVIHQFPNHF-QGZVFWFLSA-N 1 0 398.301 1.741 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415461297 531487897 /nfs/dbraw/zinc/48/78/97/531487897.db2.gz BYGFFMUGGNBSLC-UHFFFAOYSA-N 1 0 375.210 1.392 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCC(C)(C)[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000415461325 531488023 /nfs/dbraw/zinc/48/80/23/531488023.db2.gz CHIWHKGCSQVECN-UHFFFAOYSA-N 1 0 384.267 2.280 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1Br ZINC000415462524 531488075 /nfs/dbraw/zinc/48/80/75/531488075.db2.gz PHMPZZBPKPSNIJ-MWLCHTKSSA-N 1 0 398.257 1.370 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415464393 531488829 /nfs/dbraw/zinc/48/88/29/531488829.db2.gz MGPUBCKVVLQSQL-UHFFFAOYSA-N 1 0 383.290 1.841 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 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GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415502097 531491007 /nfs/dbraw/zinc/49/10/07/531491007.db2.gz SPRSKKAGKJFJON-SNVBAGLBSA-N 1 0 394.273 1.965 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000415521542 531491598 /nfs/dbraw/zinc/49/15/98/531491598.db2.gz UHDQMXZBXVHIND-UHFFFAOYSA-N 1 0 385.255 1.628 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415523429 531491828 /nfs/dbraw/zinc/49/18/28/531491828.db2.gz YQWKGBLBASPEMP-UHFFFAOYSA-N 1 0 375.210 1.346 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415522711 531491860 /nfs/dbraw/zinc/49/18/60/531491860.db2.gz MXAHGYUIEFTXTG-UWVGGRQHSA-N 1 0 398.257 1.370 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415544466 531492893 /nfs/dbraw/zinc/49/28/93/531492893.db2.gz UGTIFYZGURVNLX-RYUDHWBXSA-N 1 0 397.317 1.645 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415660174 531510569 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20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415683938 531514274 /nfs/dbraw/zinc/51/42/74/531514274.db2.gz SSYAVBJCZLPISS-RKDXNWHRSA-N 1 0 388.251 1.975 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2ccc(C)c(Br)c2)CCC[NH2+]1 ZINC000415703289 531515421 /nfs/dbraw/zinc/51/54/21/531515421.db2.gz FJQRPSHFROUARV-INIZCTEOSA-N 1 0 384.274 1.581 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2ccc(C)c(Br)c2)CCC[NH2+]1 ZINC000415703290 531515518 /nfs/dbraw/zinc/51/55/18/531515518.db2.gz FJQRPSHFROUARV-MRXNPFEDSA-N 1 0 384.274 1.581 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000581823955 531515742 /nfs/dbraw/zinc/51/57/42/531515742.db2.gz PQZIUNJSRGHUKK-LBPRGKRZSA-N 1 0 388.511 1.219 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415694423 531515836 /nfs/dbraw/zinc/51/58/36/531515836.db2.gz RAHKYEPRZXENNS-MRXNPFEDSA-N 1 0 384.274 1.902 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2ccc(Br)c(C)c2)CCC[NH2+]1 ZINC000415704133 531516745 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387.889 1.305 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(F)cc2I)CCC1 ZINC000415562383 531495789 /nfs/dbraw/zinc/49/57/89/531495789.db2.gz PTFXWUXKLSVQND-UHFFFAOYSA-N 1 0 391.184 1.366 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000415575151 531496398 /nfs/dbraw/zinc/49/63/98/531496398.db2.gz DYIWFDRZYDSZAF-NZVBXONLSA-N 1 0 396.285 1.982 20 0 GDADRO COc1ccc(I)c(NC(=O)C(=O)NCCCC[NH3+])c1 ZINC000415576954 531497099 /nfs/dbraw/zinc/49/70/99/531497099.db2.gz YPTOTPMNMFBBCM-UHFFFAOYSA-N 1 0 391.209 1.093 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C[C@H]1[NH3+] ZINC000581548101 531497614 /nfs/dbraw/zinc/49/76/14/531497614.db2.gz QVHCLGYUUCNYNM-UHOFOFEASA-N 1 0 385.917 1.553 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000415571542 531497660 /nfs/dbraw/zinc/49/76/60/531497660.db2.gz MSIHVNXCWSGWQH-WDEREUQCSA-N 1 0 384.274 1.982 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncccc3I)CC2)C1 ZINC000610131146 531498064 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GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415618713 531505048 /nfs/dbraw/zinc/50/50/48/531505048.db2.gz GQKONFHRUQCRIL-WRWORJQWSA-N 1 0 376.201 1.780 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415659455 531509917 /nfs/dbraw/zinc/50/99/17/531509917.db2.gz ACWWEPUOFMJDAU-ZYHUDNBSSA-N 1 0 384.274 1.961 20 0 GDADRO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415730897 531522518 /nfs/dbraw/zinc/52/25/18/531522518.db2.gz WGNNBSGMRHEBNW-LLVKDONJSA-N 1 0 389.258 1.577 20 0 GDADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000280670415 531523074 /nfs/dbraw/zinc/52/30/74/531523074.db2.gz HNNKHMQUWXIQQJ-UHFFFAOYSA-N 1 0 389.543 1.226 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415750289 531524070 /nfs/dbraw/zinc/52/40/70/531524070.db2.gz SZYMEDALBICKIY-RYUDHWBXSA-N 1 0 396.285 1.854 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000490456514 531532628 /nfs/dbraw/zinc/53/26/28/531532628.db2.gz NWKHKEUXNADKNJ-CQSZACIVSA-N 1 0 389.543 1.138 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000415771404 531526526 /nfs/dbraw/zinc/52/65/26/531526526.db2.gz ROKOLFVBSCIQEJ-ZWNOBZJWSA-N 1 0 382.258 1.607 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000415767997 531526568 /nfs/dbraw/zinc/52/65/68/531526568.db2.gz ZOSQOZKLTUOZQE-VIFPVBQESA-N 1 0 379.408 1.567 20 0 GDADRO O=C(CCn1cc(Br)ccc1=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000581997392 531527472 /nfs/dbraw/zinc/52/74/72/531527472.db2.gz GIFSNRVQHUELHU-JKSUJKDBSA-N 1 0 390.281 1.873 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c(Br)o1 ZINC000268516563 531527956 /nfs/dbraw/zinc/52/79/56/531527956.db2.gz SVDPFIRHJDSGHJ-MRVPVSSYSA-N 1 0 383.264 1.447 20 0 GDADRO C[C@H](NC1CC[NH+](C)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280727047 531532659 /nfs/dbraw/zinc/53/26/59/531532659.db2.gz NSQTWDAIMIEFLD-JTQLQIEISA-N 1 0 376.320 1.841 20 0 GDADRO COc1cc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cc(OC)c1Br ZINC000415785979 531530133 /nfs/dbraw/zinc/53/01/33/531530133.db2.gz HNIUCFMWJOAUQI-UHFFFAOYSA-N 1 0 386.246 1.353 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)C(F)F ZINC000415788252 531530190 /nfs/dbraw/zinc/53/01/90/531530190.db2.gz OIACKIFNXGRXHX-MRVPVSSYSA-N 1 0 386.143 1.765 20 0 GDADRO CN(C(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1)C1CC([NH3+])C1 ZINC000415783779 531530310 /nfs/dbraw/zinc/53/03/10/531530310.db2.gz DIKFZCVXMFWDNH-UHFFFAOYSA-N 1 0 392.257 1.521 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000582050545 531531177 /nfs/dbraw/zinc/53/11/77/531531177.db2.gz DZRDYIDARANFDF-VIFPVBQESA-N 1 0 398.286 2.078 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)c1Br ZINC000415792698 531531303 /nfs/dbraw/zinc/53/13/03/531531303.db2.gz UHBJOPDXSUNQFB-QMMMGPOBSA-N 1 0 382.180 1.934 20 0 GDADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1Br)C(F)F ZINC000415789825 531531539 /nfs/dbraw/zinc/53/15/39/531531539.db2.gz OHYPINZXJKACPH-ZETCQYMHSA-N 1 0 386.143 1.765 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1)[C@H](C)[NH3+] ZINC000415792904 531531702 /nfs/dbraw/zinc/53/17/02/531531702.db2.gz UAURVDSGKSKZLP-WDEREUQCSA-N 1 0 383.290 1.840 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415790795 531531800 /nfs/dbraw/zinc/53/18/00/531531800.db2.gz RTXHEIORJZOPLA-CYBMUJFWSA-N 1 0 394.273 1.486 20 0 GDADRO CN1CC[C@H]2CCN(S(=O)(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)[C@H]2C1 ZINC000295084045 531520046 /nfs/dbraw/zinc/52/00/46/531520046.db2.gz DRAGFPWJACCOSE-FZMZJTMJSA-N 1 0 392.930 1.458 20 0 GDADRO Cc1cc(Cl)c(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000415725619 531520151 /nfs/dbraw/zinc/52/01/51/531520151.db2.gz NEBWDHFHAGQGJG-LBPRGKRZSA-N 1 0 385.295 1.746 20 0 GDADRO CN1CC[C@H]2CCN(S(=O)(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)[C@@H]2C1 ZINC000295084054 531520171 /nfs/dbraw/zinc/52/01/71/531520171.db2.gz DRAGFPWJACCOSE-SMDDNHRTSA-N 1 0 392.930 1.458 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CCO1 ZINC000659000665 531536711 /nfs/dbraw/zinc/53/67/11/531536711.db2.gz MIXMHJGAVHVRJZ-AWEZNQCLSA-N 1 0 399.289 1.352 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000364111296 531537165 /nfs/dbraw/zinc/53/71/65/531537165.db2.gz NSEWPGIDFUTIIL-UHFFFAOYSA-N 1 0 384.274 1.679 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000415824077 531538144 /nfs/dbraw/zinc/53/81/44/531538144.db2.gz SXXGEPKWQDMECP-AWEZNQCLSA-N 1 0 387.889 1.316 20 0 GDADRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280765246 531538348 /nfs/dbraw/zinc/53/83/48/531538348.db2.gz FVGHHNSTQQOPEW-HZUKXOBISA-N 1 0 376.906 1.829 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415833278 531539302 /nfs/dbraw/zinc/53/93/02/531539302.db2.gz MOGICKBLQKWGNK-VXNVDRBHSA-N 1 0 376.201 1.909 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000415831855 531539408 /nfs/dbraw/zinc/53/94/08/531539408.db2.gz KORMZMJVZBWOKI-LLVKDONJSA-N 1 0 390.267 1.825 20 0 GDADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000280787211 531539934 /nfs/dbraw/zinc/53/99/34/531539934.db2.gz UBBKEGGNXVVLGI-ZDUSSCGKSA-N 1 0 387.933 1.847 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415840641 531540458 /nfs/dbraw/zinc/54/04/58/531540458.db2.gz UTBKCYJOUUANDT-SNVBAGLBSA-N 1 0 388.237 1.330 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000558013152 531540866 /nfs/dbraw/zinc/54/08/66/531540866.db2.gz TUUOWKXXQBGSGC-ZJIFWQFVSA-N 1 0 391.603 1.236 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000659100108 531541522 /nfs/dbraw/zinc/54/15/22/531541522.db2.gz JSOLTXKPLGJAGD-UHFFFAOYSA-N 1 0 382.233 1.427 20 0 GDADRO COC(=O)c1cn(CC[NH2+]Cc2ccc(C(=O)OC)cc2Br)nn1 ZINC000551571249 531541536 /nfs/dbraw/zinc/54/15/36/531541536.db2.gz MCOGCDASORFVJA-UHFFFAOYSA-N 1 0 397.229 1.404 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(F)cc1Br ZINC000659109396 531541821 /nfs/dbraw/zinc/54/18/21/531541821.db2.gz CVHQJQMRUBJDDU-MWLCHTKSSA-N 1 0 376.201 1.733 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000659111376 531542272 /nfs/dbraw/zinc/54/22/72/531542272.db2.gz JPSFSXGKJMEGNL-JTQLQIEISA-N 1 0 380.246 1.297 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000415848128 531542378 /nfs/dbraw/zinc/54/23/78/531542378.db2.gz XPXHOLAZBBPOJL-JOYOIKCWSA-N 1 0 387.221 1.473 20 0 GDADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415859594 531544480 /nfs/dbraw/zinc/54/44/80/531544480.db2.gz BIGLYFXWTHLTCQ-QMMMGPOBSA-N 1 0 376.201 1.924 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCCO1 ZINC000415859194 531545366 /nfs/dbraw/zinc/54/53/66/531545366.db2.gz LEIFFTFJBAAKEB-GFCCVEGCSA-N 1 0 390.665 1.617 20 0 GDADRO O=S(=O)(N[C@@H]1CCCN(CCCO)C1)c1cc(Br)ccc1F ZINC000295233971 531546458 /nfs/dbraw/zinc/54/64/58/531546458.db2.gz ITDIDDKDLAIRIL-GFCCVEGCSA-N 1 0 395.294 1.713 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)Oc1cccc(Br)c1 ZINC000491086058 531546584 /nfs/dbraw/zinc/54/65/84/531546584.db2.gz MNXYGZSGEOYSPO-CJNGLKHVSA-N 1 0 382.302 1.723 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415865744 531546909 /nfs/dbraw/zinc/54/69/09/531546909.db2.gz ZQHLVBPPZPPQLH-VIFPVBQESA-N 1 0 389.681 1.061 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000612303951 531547626 /nfs/dbraw/zinc/54/76/26/531547626.db2.gz KMNQYJHGESHNHK-IINYFYTJSA-N 1 0 391.273 1.637 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)n1 ZINC000659489247 531548547 /nfs/dbraw/zinc/54/85/47/531548547.db2.gz FDOJCKSCRBXCOI-WCQYABFASA-N 1 0 392.257 1.759 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415873020 531548616 /nfs/dbraw/zinc/54/86/16/531548616.db2.gz UEWJDKYQSXWASW-VIFPVBQESA-N 1 0 376.201 1.924 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415899437 531549656 /nfs/dbraw/zinc/54/96/56/531549656.db2.gz VAQNXTRHCFTZHU-GHMZBOCLSA-N 1 0 382.258 1.464 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000659680544 531553645 /nfs/dbraw/zinc/55/36/45/531553645.db2.gz NYMCBRBRQDAYBK-UHFFFAOYSA-N 1 0 382.302 1.794 20 0 GDADRO Brc1cc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc2c1OCCO2 ZINC000491142304 531550680 /nfs/dbraw/zinc/55/06/80/531550680.db2.gz WRRROXLISGZTDI-AWEZNQCLSA-N 1 0 382.302 1.700 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000659675430 531551588 /nfs/dbraw/zinc/55/15/88/531551588.db2.gz ULBZLJLOCDBNNN-IUODEOHRSA-N 1 0 384.318 1.986 20 0 GDADRO CCc1nc(CN2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)cs1 ZINC000415996468 531551592 /nfs/dbraw/zinc/55/15/92/531551592.db2.gz PCDLJLIFWXYHQU-GFCCVEGCSA-N 1 0 379.452 1.812 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000659683365 531552290 /nfs/dbraw/zinc/55/22/90/531552290.db2.gz WYAYEUULTFBAND-ZIAGYGMSSA-N 1 0 398.301 1.879 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000415996525 531552399 /nfs/dbraw/zinc/55/23/99/531552399.db2.gz PGTCLVDDNYNLTG-SKDRFNHKSA-N 1 0 382.408 1.235 20 0 GDADRO CS(=O)(=O)N1CC(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415959080 531552499 /nfs/dbraw/zinc/55/24/99/531552499.db2.gz YPCQCOIIISAJLB-UHFFFAOYSA-N 1 0 380.392 1.177 20 0 GDADRO C[NH2+]Cc1ccc(NC(=O)NCCNS(=O)(=O)c2ccc(C)s2)cc1 ZINC000415983187 531553042 /nfs/dbraw/zinc/55/30/42/531553042.db2.gz NCBYFWJQPSSNRT-UHFFFAOYSA-N 1 0 382.511 1.876 20 0 GDADRO COc1ccc(I)c(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415807217 531534311 /nfs/dbraw/zinc/53/43/11/531534311.db2.gz MTHYWSRYEJGXCM-SFYZADRCSA-N 1 0 391.209 1.090 20 0 GDADRO CC1CC[NH+](CCCNS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC000451030433 531534601 /nfs/dbraw/zinc/53/46/01/531534601.db2.gz XTYGXALSXKRUPD-UHFFFAOYSA-N 1 0 388.555 1.632 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1-n1cnnn1 ZINC000636102368 531535291 /nfs/dbraw/zinc/53/52/91/531535291.db2.gz YLPSLQPSCRETTB-BETUJISGSA-N 1 0 391.273 1.781 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Br ZINC000415814393 531535590 /nfs/dbraw/zinc/53/55/90/531535590.db2.gz IMJFVMFLQLRJPN-MFKMUULPSA-N 1 0 382.258 1.607 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000659016309 531535628 /nfs/dbraw/zinc/53/56/28/531535628.db2.gz XBDPRBNDVKNPEJ-LBPRGKRZSA-N 1 0 383.294 1.079 20 0 GDADRO COc1cc(I)ccc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415817645 531536231 /nfs/dbraw/zinc/53/62/31/531536231.db2.gz YVTLBTPXWVJILT-HTQZYQBOSA-N 1 0 391.209 1.090 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2Br)CC[C@H]1F ZINC000659726098 531557072 /nfs/dbraw/zinc/55/70/72/531557072.db2.gz BSHCIHQTLSGBSR-VXGBXAGGSA-N 1 0 392.656 1.616 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659740905 531558724 /nfs/dbraw/zinc/55/87/24/531558724.db2.gz FWLTWMQVPCFDOZ-UHFFFAOYSA-N 1 0 380.286 1.666 20 0 GDADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747569 531559465 /nfs/dbraw/zinc/55/94/65/531559465.db2.gz FBNGWKVHKSPJQN-UHFFFAOYSA-N 1 0 383.861 1.021 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000659756429 531559775 /nfs/dbraw/zinc/55/97/75/531559775.db2.gz RIZCBXBIGGNZCU-GHMZBOCLSA-N 1 0 376.284 1.943 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000451177027 531561680 /nfs/dbraw/zinc/56/16/80/531561680.db2.gz SVAQWOLHNIJUBQ-CVEARBPZSA-N 1 0 379.517 1.854 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000582991708 531562355 /nfs/dbraw/zinc/56/23/55/531562355.db2.gz BDRUXGNRBGARRE-BDAKNGLRSA-N 1 0 389.421 1.135 20 0 GDADRO C[NH+](C)C[C@@H]1CN(CC(=O)c2c[nH]c3ncc(Br)cc23)CCO1 ZINC000659899174 531565198 /nfs/dbraw/zinc/56/51/98/531565198.db2.gz HAHTXMMGEXHYMT-GFCCVEGCSA-N 1 0 381.274 1.771 20 0 GDADRO CC(C)O[C@@]1(CS(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC000659892748 531565670 /nfs/dbraw/zinc/56/56/70/531565670.db2.gz ZEYWXOJAQNCNGK-KSZLIROESA-N 1 0 376.563 1.858 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC000416176488 531565915 /nfs/dbraw/zinc/56/59/15/531565915.db2.gz DJCSWIUANNHNBZ-JKSUJKDBSA-N 1 0 376.563 1.653 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cc(Cl)c(Br)cc2F)C1 ZINC000416201886 531567021 /nfs/dbraw/zinc/56/70/21/531567021.db2.gz HEQVKORRIIRLHO-CQSZACIVSA-N 1 0 379.657 1.967 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000281014646 531567246 /nfs/dbraw/zinc/56/72/46/531567246.db2.gz NWLZTCFANJXQSG-MRXNPFEDSA-N 1 0 383.286 1.479 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491596140 531554405 /nfs/dbraw/zinc/55/44/05/531554405.db2.gz HPIWYDRDEFBYHA-KGLIPLIRSA-N 1 0 389.543 1.088 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000659709257 531554518 /nfs/dbraw/zinc/55/45/18/531554518.db2.gz GLTQBWWADCWUTH-ZDUSSCGKSA-N 1 0 385.295 1.510 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000553649473 531570652 /nfs/dbraw/zinc/57/06/52/531570652.db2.gz KUSKXAXUWROUFZ-HNNXBMFYSA-N 1 0 387.933 1.917 20 0 GDADRO CC(C)O[C@@]1(CS(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)CCOC1 ZINC000659935532 531572627 /nfs/dbraw/zinc/57/26/27/531572627.db2.gz BYBBENFDAHDARV-SFHVURJKSA-N 1 0 376.563 1.954 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)CC(=O)N(C)C)s1 ZINC000268824381 531574964 /nfs/dbraw/zinc/57/49/64/531574964.db2.gz ASMMVDJRAVIIFB-ZDUSSCGKSA-N 1 0 375.560 1.778 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000364604828 531580998 /nfs/dbraw/zinc/58/09/98/531580998.db2.gz TUCNSIZJNRGSEK-ZDUSSCGKSA-N 1 0 385.917 1.996 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000583510175 531581116 /nfs/dbraw/zinc/58/11/16/531581116.db2.gz JJELDXVXCKIBNJ-OAHLLOKOSA-N 1 0 381.318 1.947 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000268910016 531586167 /nfs/dbraw/zinc/58/61/67/531586167.db2.gz MMCVTSFWQALCQW-QWHCGFSZSA-N 1 0 386.290 1.582 20 0 GDADRO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281186207 531591800 /nfs/dbraw/zinc/59/18/00/531591800.db2.gz RSRLJIBDIOYICN-ONGXEEELSA-N 1 0 381.292 1.145 20 0 GDADRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000494247903 531592710 /nfs/dbraw/zinc/59/27/10/531592710.db2.gz NHBJIRJLILTVPF-ZBEGNZNMSA-N 1 0 389.905 1.686 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637076135 531597971 /nfs/dbraw/zinc/59/79/71/531597971.db2.gz FNBGDLTYGIZHHO-YPMHNXCESA-N 1 0 386.290 1.885 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637076132 531598132 /nfs/dbraw/zinc/59/81/32/531598132.db2.gz FNBGDLTYGIZHHO-AAEUAGOBSA-N 1 0 386.290 1.885 20 0 GDADRO COc1cc(Br)c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1OC ZINC000614502180 531596908 /nfs/dbraw/zinc/59/69/08/531596908.db2.gz DWEHEMUIMNGTAY-LBPRGKRZSA-N 1 0 398.301 1.586 20 0 GDADRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c(=O)n1C ZINC000583867343 531599229 /nfs/dbraw/zinc/59/92/29/531599229.db2.gz CAEAFDAKVXCBJA-HNNXBMFYSA-N 1 0 381.270 1.986 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000583872716 531601614 /nfs/dbraw/zinc/60/16/14/531601614.db2.gz ZLRGAKGKFAZCPK-JTQLQIEISA-N 1 0 380.297 1.482 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000416407591 531603415 /nfs/dbraw/zinc/60/34/15/531603415.db2.gz LGVBQUWZSCLGFL-IAQYHMDHSA-N 1 0 387.933 1.969 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000637081010 531602067 /nfs/dbraw/zinc/60/20/67/531602067.db2.gz BRBGBMGRTOACJG-ZIAGYGMSSA-N 1 0 387.311 1.938 20 0 GDADRO O=C1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)[C@@H](C2CC2)N1 ZINC000583949762 531604225 /nfs/dbraw/zinc/60/42/25/531604225.db2.gz RXIIDFOIGLHJEZ-JLJPHGGASA-N 1 0 383.286 1.836 20 0 GDADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000559784057 531608015 /nfs/dbraw/zinc/60/80/15/531608015.db2.gz LQIFHQGTGTWHOD-UHFFFAOYSA-N 1 0 381.489 1.441 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)n1 ZINC000584024363 531607423 /nfs/dbraw/zinc/60/74/23/531607423.db2.gz FBHFVRBSROXHEV-UHFFFAOYSA-N 1 0 380.246 1.784 20 0 GDADRO C[C@@H](CNC(=O)C1(c2cncc(Br)c2)CC1)N1CC[NH+](C)CC1 ZINC000281346960 531607810 /nfs/dbraw/zinc/60/78/10/531607810.db2.gz TUBYUVYNZZPXSV-ZDUSSCGKSA-N 1 0 381.318 1.628 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1 ZINC000559791719 531608623 /nfs/dbraw/zinc/60/86/23/531608623.db2.gz WSOLCXCHYNXBQM-JTQLQIEISA-N 1 0 390.303 1.168 20 0 GDADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](CS(C)(=O)=O)C2CC2)cc1 ZINC000559783991 531608703 /nfs/dbraw/zinc/60/87/03/531608703.db2.gz FADLLLHMQQNIGE-KRWDZBQOSA-N 1 0 388.555 1.427 20 0 GDADRO CO[C@@]1(C(F)(F)F)CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000614925015 531608229 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COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCNS(C)(=O)=O ZINC000494698501 531618083 /nfs/dbraw/zinc/61/80/83/531618083.db2.gz VTPZSODHTSIDLX-NSHDSACASA-N 1 0 377.894 1.595 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)s2)CC1 ZINC000269172666 531618303 /nfs/dbraw/zinc/61/83/03/531618303.db2.gz AJTJGZLXTNFAPT-UONOGXRCSA-N 1 0 385.555 1.978 20 0 GDADRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000494670985 531616280 /nfs/dbraw/zinc/61/62/80/531616280.db2.gz GYIILHHJJASCPS-CYBMUJFWSA-N 1 0 383.495 1.274 20 0 GDADRO COC(=O)Cn1cc(C[NH2+]C[C@H](C)Oc2cccc(Br)c2)nn1 ZINC000295717113 531616317 /nfs/dbraw/zinc/61/63/17/531616317.db2.gz NICUGQJTLGTCHI-NSHDSACASA-N 1 0 383.246 1.771 20 0 GDADRO O=C(c1ccc2ncc(I)n2c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269196492 531621773 /nfs/dbraw/zinc/62/17/73/531621773.db2.gz QLEBGFFTCUISQC-NEPJUHHUSA-N 1 0 396.232 1.905 20 0 GDADRO Cc1cc(Br)c(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)s1 ZINC000660640315 531624773 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531632156 /nfs/dbraw/zinc/63/21/56/531632156.db2.gz LZXQLSYIGAZJGN-SNPRPXQTSA-N 1 0 385.555 1.653 20 0 GDADRO C[NH+]1CCC(CCNC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)CC1 ZINC000660842843 531632478 /nfs/dbraw/zinc/63/24/78/531632478.db2.gz SCRPBERTJBFOSR-UHFFFAOYSA-N 1 0 386.543 1.195 20 0 GDADRO [NH3+][C@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)C1CC1 ZINC000638151548 531644214 /nfs/dbraw/zinc/64/42/14/531644214.db2.gz DADINEWXTGTGGA-CABCVRRESA-N 1 0 380.286 1.794 20 0 GDADRO C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H](CO)C(C)(C)C ZINC000638144749 531645119 /nfs/dbraw/zinc/64/51/19/531645119.db2.gz FIKBIVDCPBNEKW-ZDUSSCGKSA-N 1 0 379.320 1.935 20 0 GDADRO [NH3+][C@@H](CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)C1CC1 ZINC000638151556 531645471 /nfs/dbraw/zinc/64/54/71/531645471.db2.gz DADINEWXTGTGGA-LSDHHAIUSA-N 1 0 380.286 1.794 20 0 GDADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000281686119 531647300 /nfs/dbraw/zinc/64/73/00/531647300.db2.gz VATRUBLMQXTDTN-LLVKDONJSA-N 1 0 390.303 1.263 20 0 GDADRO CCC[NH+]1CCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000637829171 531636529 /nfs/dbraw/zinc/63/65/29/531636529.db2.gz JEMQXCIUMAZNGK-UHFFFAOYSA-N 1 0 376.320 1.624 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000269296372 531637397 /nfs/dbraw/zinc/63/73/97/531637397.db2.gz VZNLPWZNSVDYLU-CYBMUJFWSA-N 1 0 377.304 1.463 20 0 GDADRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000269303786 531638267 /nfs/dbraw/zinc/63/82/67/531638267.db2.gz DAGGHRDMDNPGCK-UHFFFAOYSA-N 1 0 381.495 1.207 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637883169 531638887 /nfs/dbraw/zinc/63/88/87/531638887.db2.gz DSEVQSIZQQZOTB-INIZCTEOSA-N 1 0 384.274 1.568 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365323048 531639123 /nfs/dbraw/zinc/63/91/23/531639123.db2.gz WVAZEMBZHNVMNK-ZIAGYGMSSA-N 1 0 396.285 1.675 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(Br)n1 ZINC000295970705 531640842 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C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638843830 531669311 /nfs/dbraw/zinc/66/93/11/531669311.db2.gz ZTZGEFLEBHTBFF-LBPRGKRZSA-N 1 0 379.507 1.377 20 0 GDADRO C[C@@H]1CN(C(=O)CCN2c3ccc(Br)cc3OCC2=O)C[C@H]1C[NH3+] ZINC000638894427 531669974 /nfs/dbraw/zinc/66/99/74/531669974.db2.gz VTZKAFNVRNCEIR-VXGBXAGGSA-N 1 0 396.285 1.618 20 0 GDADRO Brc1cnc2c(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)cnn2c1 ZINC000638183236 531648118 /nfs/dbraw/zinc/64/81/18/531648118.db2.gz VMEGBLZZWWBWSC-LBPRGKRZSA-N 1 0 376.262 1.996 20 0 GDADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000638415182 531651322 /nfs/dbraw/zinc/65/13/22/531651322.db2.gz WNGCBRGRTRLSQX-NVXWUHKLSA-N 1 0 382.302 1.865 20 0 GDADRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000451636363 531651870 /nfs/dbraw/zinc/65/18/70/531651870.db2.gz TUPYPSYFONXLDW-FVQBIDKESA-N 1 0 386.539 1.421 20 0 GDADRO [NH3+]Cc1ncc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)cn1 ZINC000638419009 531652150 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375.560 1.681 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)s1 ZINC000451938912 531721506 /nfs/dbraw/zinc/72/15/06/531721506.db2.gz VZDDJZUQCIGGGF-ZDUSSCGKSA-N 1 0 375.560 1.681 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000562147960 531735864 /nfs/dbraw/zinc/73/58/64/531735864.db2.gz VPUGEBKJDCGHDN-QWRGUYRKSA-N 1 0 394.324 1.871 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000562126591 531736116 /nfs/dbraw/zinc/73/61/16/531736116.db2.gz NBSUHNIOINPZGZ-HNNXBMFYSA-N 1 0 385.917 1.705 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000506660220 531742187 /nfs/dbraw/zinc/74/21/87/531742187.db2.gz AWEXHNSMQYSDNS-UHFFFAOYSA-N 1 0 380.286 1.947 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)s1 ZINC000416910163 531744265 /nfs/dbraw/zinc/74/42/65/531744265.db2.gz HDKCHELYQJAKMG-QWHCGFSZSA-N 1 0 388.559 1.670 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1nn(C)cc1Br ZINC000640327844 531745020 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Cc1ccsc1CNC(=O)CN1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000282424848 531753079 /nfs/dbraw/zinc/75/30/79/531753079.db2.gz YUYHWSRMSWNOOB-UHFFFAOYSA-N 1 0 385.555 1.563 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)s1 ZINC000269776790 531753071 /nfs/dbraw/zinc/75/30/71/531753071.db2.gz HICQYPGNTIZCMW-UHFFFAOYSA-N 1 0 376.500 1.048 20 0 GDADRO O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)Cn1ccnn1 ZINC000666171213 531753740 /nfs/dbraw/zinc/75/37/40/531753740.db2.gz PUJGKLMLBVHDQZ-OWCLPIDISA-N 1 0 381.274 1.911 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000562441603 531754870 /nfs/dbraw/zinc/75/48/70/531754870.db2.gz ATORWJIYHQWZRY-CQSZACIVSA-N 1 0 377.316 1.450 20 0 GDADRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417204538 531756717 /nfs/dbraw/zinc/75/67/17/531756717.db2.gz FUWXTDOANCTVRZ-WFASDCNBSA-N 1 0 397.317 1.996 20 0 GDADRO C[C@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)C[NH+]1CCN(C)CC1 ZINC000282454997 531756817 /nfs/dbraw/zinc/75/68/17/531756817.db2.gz FQLYSAZQUVKYPS-GFCCVEGCSA-N 1 0 394.317 1.939 20 0 GDADRO C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1CCN(CC(F)(F)F)CC1 ZINC000452032391 531756908 /nfs/dbraw/zinc/75/69/08/531756908.db2.gz ASLQVFXUAMBHQL-UHFFFAOYSA-N 1 0 378.317 1.333 20 0 GDADRO O=S(=O)(NC1CC[NH+](CC2CCCC2)CC1)C1CCS(=O)(=O)CC1 ZINC000508006362 531757928 /nfs/dbraw/zinc/75/79/28/531757928.db2.gz FKYDBYUTKXCTTN-UHFFFAOYSA-N 1 0 378.560 1.138 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCCO1 ZINC000417211330 531758876 /nfs/dbraw/zinc/75/88/76/531758876.db2.gz FYAKPKRMGZCPRU-CQSZACIVSA-N 1 0 399.289 1.537 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCc1nc3cc(Cl)ccc3s1)C2 ZINC000621838632 531759156 /nfs/dbraw/zinc/75/91/56/531759156.db2.gz HBZQOYZACQJUEP-DYZYQPBXSA-N 1 0 378.885 1.906 20 0 GDADRO O=C(Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)Nc1ccc(Br)cc1F ZINC000640759279 531759604 /nfs/dbraw/zinc/75/96/04/531759604.db2.gz NRDVSTBMIKEURS-JTQLQIEISA-N 1 0 382.237 1.970 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000621838224 531759686 /nfs/dbraw/zinc/75/96/86/531759686.db2.gz ACOYRWRRZVFMEQ-QIBSRJKCSA-N 1 0 376.404 1.679 20 0 GDADRO O=C(Cn1cc(C[C@H]2CC[NH2+]C2)nn1)Nc1ccc(Br)cc1F ZINC000640759280 531759882 /nfs/dbraw/zinc/75/98/82/531759882.db2.gz NRDVSTBMIKEURS-SNVBAGLBSA-N 1 0 382.237 1.970 20 0 GDADRO CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cc(Cl)cnc3N)C2)CC1 ZINC000366569910 531759935 /nfs/dbraw/zinc/75/99/35/531759935.db2.gz CQFFVPOHEBDEQT-CQSZACIVSA-N 1 0 387.937 1.106 20 0 GDADRO O=C(CN1CC[NH2+]CC1)NCc1cn(Cc2c(Cl)cccc2Cl)nn1 ZINC000640755059 531760443 /nfs/dbraw/zinc/76/04/43/531760443.db2.gz VXJXVXNZVYPGJK-UHFFFAOYSA-N 1 0 383.283 1.155 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621847400 531760766 /nfs/dbraw/zinc/76/07/66/531760766.db2.gz AVDVERTZYRMWQA-VHSXEESVSA-N 1 0 392.244 1.899 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621845475 531760856 /nfs/dbraw/zinc/76/08/56/531760856.db2.gz JZEITPQJYXLIMR-UHFFFAOYSA-N 1 0 378.217 1.383 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1Br ZINC000621844943 531761552 /nfs/dbraw/zinc/76/15/52/531761552.db2.gz ZLSMRXKAZNSFEW-SJKOYZFVSA-N 1 0 396.285 1.414 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621846547 531761811 /nfs/dbraw/zinc/76/18/11/531761811.db2.gz FEILTOULXHNUOO-VIFPVBQESA-N 1 0 378.217 1.511 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2c(cc1Br)OCO2 ZINC000621958118 531762066 /nfs/dbraw/zinc/76/20/66/531762066.db2.gz UCZJLURKELDBBX-GFCCVEGCSA-N 1 0 398.301 1.934 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452098523 531762266 /nfs/dbraw/zinc/76/22/66/531762266.db2.gz ULLUSYBCLJSMFB-UHFFFAOYSA-N 1 0 389.440 1.075 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)n1cc(CN2CC[NH2+]CC2)nn1 ZINC000640800065 531764105 /nfs/dbraw/zinc/76/41/05/531764105.db2.gz BLRKIHKPXFAEFX-LBPRGKRZSA-N 1 0 393.289 1.646 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622014149 531765275 /nfs/dbraw/zinc/76/52/75/531765275.db2.gz AGUMBUZEZGMSCQ-QMTHXVAHSA-N 1 0 375.288 1.960 20 0 GDADRO CN(CCCNC(=O)Nc1cn(C)cc(Br)c1=O)CC[NH+](C)C ZINC000666697785 531765297 /nfs/dbraw/zinc/76/52/97/531765297.db2.gz OVXGCTADBXNRHV-UHFFFAOYSA-N 1 0 388.310 1.153 20 0 GDADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccccc1S(=O)(=O)NC ZINC000282525855 531765474 /nfs/dbraw/zinc/76/54/74/531765474.db2.gz MCKRISYXBXHJRY-UHFFFAOYSA-N 1 0 391.559 1.337 20 0 GDADRO [NH3+][C@@H](c1cn(CC(=O)NCC(F)(F)F)nn1)c1ccc(Br)cc1 ZINC000640797602 531765630 /nfs/dbraw/zinc/76/56/30/531765630.db2.gz BDXZOUVXLJXJQH-GFCCVEGCSA-N 1 0 392.179 1.767 20 0 GDADRO O=C(NCCc1ccccc1Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417361900 531765729 /nfs/dbraw/zinc/76/57/29/531765729.db2.gz ZLNSDDANIVVYDZ-OAHLLOKOSA-N 1 0 381.318 1.681 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000297029939 531751058 /nfs/dbraw/zinc/75/10/58/531751058.db2.gz XJWIUCPTOGYQRT-DIFFPNOSSA-N 1 0 398.301 1.660 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CCO1 ZINC000667401075 531780309 /nfs/dbraw/zinc/78/03/09/531780309.db2.gz ZWQNCGVXEORDCZ-PELKAZGASA-N 1 0 390.665 1.616 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000667398830 531780385 /nfs/dbraw/zinc/78/03/85/531780385.db2.gz XLHMYGCNCKTOGJ-WCQYABFASA-N 1 0 384.274 1.579 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CCO1 ZINC000667398561 531780676 /nfs/dbraw/zinc/78/06/76/531780676.db2.gz SSXZOQQZPXRNER-WRWORJQWSA-N 1 0 392.200 1.240 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(C)([NH3+])CC1 ZINC000592331758 531780730 /nfs/dbraw/zinc/78/07/30/531780730.db2.gz ZOUYCUWFKLFCEG-HNNXBMFYSA-N 1 0 385.555 1.426 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417580163 531780881 /nfs/dbraw/zinc/78/08/81/531780881.db2.gz CPRVGNYYCIMGCT-CQSZACIVSA-N 1 0 397.317 1.849 20 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/nfs/dbraw/zinc/77/03/41/531770341.db2.gz HHMGKXKNCKHKIT-RISCZKNCSA-N 1 0 383.290 1.476 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000509770458 531783079 /nfs/dbraw/zinc/78/30/79/531783079.db2.gz JYXYYLDDEJLHFL-AWEZNQCLSA-N 1 0 381.523 1.607 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CC[NH+](C2CCC2)CC1 ZINC000562669447 531771889 /nfs/dbraw/zinc/77/18/89/531771889.db2.gz DJPKSBMYNROELK-UHFFFAOYSA-N 1 0 383.290 1.491 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000417435149 531772065 /nfs/dbraw/zinc/77/20/65/531772065.db2.gz NSMOMOXLHUXIDD-BXUZGUMPSA-N 1 0 383.290 1.619 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000667266232 531772942 /nfs/dbraw/zinc/77/29/42/531772942.db2.gz QPMNBLFYIVPWHF-SECBINFHSA-N 1 0 376.201 1.924 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)NCCc2ccc(I)s2)C1 ZINC000417440810 531772811 /nfs/dbraw/zinc/77/28/11/531772811.db2.gz PAOQFGPEFOOHNR-SECBINFHSA-N 1 0 379.267 1.899 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000667293268 531774630 /nfs/dbraw/zinc/77/46/30/531774630.db2.gz LWNBXQHJZPEUGT-UHFFFAOYSA-N 1 0 392.257 1.442 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000297270624 531776194 /nfs/dbraw/zinc/77/61/94/531776194.db2.gz CJYUWDPUQAMBPB-GJZGRUSLSA-N 1 0 390.575 1.758 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000562744671 531776372 /nfs/dbraw/zinc/77/63/72/531776372.db2.gz VOMMHJOUMFJFRH-HNNXBMFYSA-N 1 0 398.301 1.370 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)s1 ZINC000297279339 531776812 /nfs/dbraw/zinc/77/68/12/531776812.db2.gz BRSMLXXHTXFPLW-ZIEJDFEHSA-N 1 0 385.555 1.794 20 0 GDADRO [NH3+]CCOCc1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641103748 531776990 /nfs/dbraw/zinc/77/69/90/531776990.db2.gz CXFZJYAZTARCQP-AWEZNQCLSA-N 1 0 380.246 1.494 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NC2CC[NH2+]CC2)s1 ZINC000417516377 531777827 /nfs/dbraw/zinc/77/78/27/531777827.db2.gz NMJUCMWTUJSSHP-UHFFFAOYSA-N 1 0 388.559 1.372 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NC[C@@H](C)C[NH3+])s1 ZINC000417514152 531777955 /nfs/dbraw/zinc/77/79/55/531777955.db2.gz IUUJSZXRKGFSFE-LBPRGKRZSA-N 1 0 376.548 1.215 20 0 GDADRO COc1ccc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(I)c1 ZINC000592310814 531778936 /nfs/dbraw/zinc/77/89/36/531778936.db2.gz YTDWSAYNDCXBCJ-TVQRCGJNSA-N 1 0 390.221 1.488 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000667671775 531783706 /nfs/dbraw/zinc/78/37/06/531783706.db2.gz KMDMLUSJLBXFOR-NWDGAFQWSA-N 1 0 398.305 1.930 20 0 GDADRO [NH3+]CC1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000297357897 531784322 /nfs/dbraw/zinc/78/43/22/531784322.db2.gz ZRHCAQDNEMGZES-CYBMUJFWSA-N 1 0 380.286 1.999 20 0 GDADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2cncc(Br)c2)CC1(C)C ZINC000282675386 531784678 /nfs/dbraw/zinc/78/46/78/531784678.db2.gz WGTFIASKXDWNPK-UHFFFAOYSA-N 1 0 391.335 1.148 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)NCC[NH+]1CCC1 ZINC000510330793 531784664 /nfs/dbraw/zinc/78/46/64/531784664.db2.gz BAGSWPNKHNJXBX-UHFFFAOYSA-N 1 0 395.312 1.277 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000592434445 531784912 /nfs/dbraw/zinc/78/49/12/531784912.db2.gz GPMVSPXWGFDZQN-MRXNPFEDSA-N 1 0 393.285 1.972 20 0 GDADRO CSC1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCOCC1 ZINC000417755974 531785277 /nfs/dbraw/zinc/78/52/77/531785277.db2.gz COVPQOMHDANHKK-LBPRGKRZSA-N 1 0 384.468 1.034 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417910871 531788451 /nfs/dbraw/zinc/78/84/51/531788451.db2.gz LTNZMVMHUFPORT-GFCCVEGCSA-N 1 0 385.306 1.822 20 0 GDADRO C[NH+](C)CCc1cn(C[C@@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641230128 531788349 /nfs/dbraw/zinc/78/83/49/531788349.db2.gz WPXFBGHZSRXOET-CQSZACIVSA-N 1 0 387.253 1.724 20 0 GDADRO C[C@H](NC(=O)N(CC[NH3+])CCO)c1nc(-c2ccc(Br)cc2)no1 ZINC000417898446 531789343 /nfs/dbraw/zinc/78/93/43/531789343.db2.gz RPDLPWDVAHIFIF-JTQLQIEISA-N 1 0 398.261 1.523 20 0 GDADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641250625 531789507 /nfs/dbraw/zinc/78/95/07/531789507.db2.gz HFYMBYZLCAXPRD-UHFFFAOYSA-N 1 0 388.291 1.207 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000417913527 531790444 /nfs/dbraw/zinc/79/04/44/531790444.db2.gz QKYCRSYNODZBMF-CYBMUJFWSA-N 1 0 376.548 1.383 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)CC[C@H]([NH3+])C(C)C)s1 ZINC000417912618 531790898 /nfs/dbraw/zinc/79/08/98/531790898.db2.gz OTBGQYIFPWYUBU-ZDUSSCGKSA-N 1 0 376.548 1.350 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000417924718 531792629 /nfs/dbraw/zinc/79/26/29/531792629.db2.gz IQYBBLRFNLGVJL-WDEREUQCSA-N 1 0 394.950 1.497 20 0 GDADRO O=C(NCCSCC(F)(F)F)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417963458 531793089 /nfs/dbraw/zinc/79/30/89/531793089.db2.gz IFIRKDYGUHZIBF-SECBINFHSA-N 1 0 382.374 1.417 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NCC[C@H]1CCC[NH2+]1 ZINC000417930380 531793304 /nfs/dbraw/zinc/79/33/04/531793304.db2.gz OYRXISBMUKXTBL-SNVBAGLBSA-N 1 0 380.923 1.121 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc2c(cc1Br)OCO2 ZINC000623026769 531794378 /nfs/dbraw/zinc/79/43/78/531794378.db2.gz TVRJDICROYJTRL-LLVKDONJSA-N 1 0 382.258 1.298 20 0 GDADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623027380 531794849 /nfs/dbraw/zinc/79/48/49/531794849.db2.gz IPTJDZNVIKGHPR-NSHDSACASA-N 1 0 381.278 1.883 20 0 GDADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1Br ZINC000562979620 531794912 /nfs/dbraw/zinc/79/49/12/531794912.db2.gz JNVQDOYTXWAKCR-ZBFHGGJFSA-N 1 0 380.286 1.826 20 0 GDADRO O=S(=O)(c1ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc1)N1CCOCC1 ZINC000562987159 531795451 /nfs/dbraw/zinc/79/54/51/531795451.db2.gz WFHFGZWHFHYEOB-ZDUSSCGKSA-N 1 0 382.404 1.110 20 0 GDADRO CCn1c(C[NH2+]C[C@@H](O)CN2CCOCC2)nc2cc(Br)ccc21 ZINC000563002457 531796640 /nfs/dbraw/zinc/79/66/40/531796640.db2.gz GLWRCPDXOJZQAJ-CQSZACIVSA-N 1 0 397.317 1.601 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)NCC(C)(C)[NH3+])C2=O)ccc1Br ZINC000418010835 531796723 /nfs/dbraw/zinc/79/67/23/531796723.db2.gz KADNCZFHEUNDOM-ZDUSSCGKSA-N 1 0 383.290 1.899 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)NC(C)(C)C[NH3+])C2=O)ccc1Br ZINC000418018425 531797629 /nfs/dbraw/zinc/79/76/29/531797629.db2.gz UQOPEKJVXNKZCM-CYBMUJFWSA-N 1 0 383.290 1.899 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)NC3CC[NH2+]CC3)C2=O)ccc1Br ZINC000418010341 531797823 /nfs/dbraw/zinc/79/78/23/531797823.db2.gz JMQFXROFMRHMCP-HNNXBMFYSA-N 1 0 395.301 1.914 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418061107 531799682 /nfs/dbraw/zinc/79/96/82/531799682.db2.gz CYFGMOWJVDEFMP-DGCLKSJQSA-N 1 0 385.306 1.722 20 0 GDADRO [NH3+]CCN(CCO)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418078469 531799884 /nfs/dbraw/zinc/79/98/84/531799884.db2.gz JJAOKLPLOPQUDV-CYBMUJFWSA-N 1 0 375.300 1.925 20 0 GDADRO CCOCCOC[C@@H](O)C[NH2+]Cc1ccc(F)cc1I ZINC000418032550 531800269 /nfs/dbraw/zinc/80/02/69/531800269.db2.gz MLNKVRLRRGVWHF-ZDUSSCGKSA-N 1 0 397.228 1.934 20 0 GDADRO C[NH2+]CCN(C)C(=O)NCc1c(Br)cncc1Br ZINC000418235427 531818429 /nfs/dbraw/zinc/81/84/29/531818429.db2.gz KUFBCRMNTVPZHI-UHFFFAOYSA-N 1 0 380.084 1.967 20 0 GDADRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC[C@H]1[NH3+] ZINC000418149166 531805087 /nfs/dbraw/zinc/80/50/87/531805087.db2.gz ATPGYSVSXXBPRZ-GXFFZTMASA-N 1 0 392.884 1.136 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418148703 531805263 /nfs/dbraw/zinc/80/52/63/531805263.db2.gz ADLVCJGACMXZNG-MNOVXSKESA-N 1 0 392.884 1.136 20 0 GDADRO CN(C)c1nccc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000516454076 531818759 /nfs/dbraw/zinc/81/87/59/531818759.db2.gz LQJWXBRZSDKWQX-AWEZNQCLSA-N 1 0 399.264 1.974 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000367067540 531806081 /nfs/dbraw/zinc/80/60/81/531806081.db2.gz NWWLGZIIKRPFRE-IUCAKERBSA-N 1 0 399.257 1.917 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418151063 531807414 /nfs/dbraw/zinc/80/74/14/531807414.db2.gz FARYDORKEBPHGK-LBPRGKRZSA-N 1 0 394.900 1.430 20 0 GDADRO COC[C@H](CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1)OC ZINC000641330206 531807621 /nfs/dbraw/zinc/80/76/21/531807621.db2.gz QLRGJQIGWJFKFK-OAHLLOKOSA-N 1 0 380.576 1.319 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cnn2cc(Br)cnc12)[N@H+](C)C1CC1 ZINC000641343308 531809150 /nfs/dbraw/zinc/80/91/50/531809150.db2.gz XQTHXMGBXPFYPY-VIFPVBQESA-N 1 0 388.291 1.253 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000418173262 531811828 /nfs/dbraw/zinc/81/18/28/531811828.db2.gz YKOMYBUDZKZXII-JTQLQIEISA-N 1 0 395.312 1.262 20 0 GDADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641380909 531812464 /nfs/dbraw/zinc/81/24/64/531812464.db2.gz GIHWEFIUJINNJG-NSHDSACASA-N 1 0 388.291 1.207 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418173015 531812911 /nfs/dbraw/zinc/81/29/11/531812911.db2.gz XTCKBZJJBCNWLB-KGLIPLIRSA-N 1 0 388.559 1.431 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418177429 531812966 /nfs/dbraw/zinc/81/29/66/531812966.db2.gz DJRBKGGBPGRRCX-UHFFFAOYSA-N 1 0 390.937 1.553 20 0 GDADRO COC1([C@H](C)[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)CCOCC1 ZINC000453163425 531813407 /nfs/dbraw/zinc/81/34/07/531813407.db2.gz QEWBRYJYBRSEMZ-AWEZNQCLSA-N 1 0 376.544 1.817 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000418179561 531813635 /nfs/dbraw/zinc/81/36/35/531813635.db2.gz GJVCHPAAGALHOU-NSHDSACASA-N 1 0 376.910 1.081 20 0 GDADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000453246351 531813771 /nfs/dbraw/zinc/81/37/71/531813771.db2.gz IZIGFZYXIYLJPM-OLZOCXBDSA-N 1 0 377.304 1.556 20 0 GDADRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC[C@H]1[NH3+] ZINC000418179938 531814739 /nfs/dbraw/zinc/81/47/39/531814739.db2.gz YCKJDYQYVMTASN-GXFFZTMASA-N 1 0 392.884 1.136 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCc1cccc(Br)c1 ZINC000297712218 531816103 /nfs/dbraw/zinc/81/61/03/531816103.db2.gz YTJHAZNJKNSEDD-OAHLLOKOSA-N 1 0 397.317 1.631 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000669601789 531816242 /nfs/dbraw/zinc/81/62/42/531816242.db2.gz PEQJUELBZGXCTC-LSDHHAIUSA-N 1 0 389.539 1.537 20 0 GDADRO Cn1ccnc1Sc1ncc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Cl ZINC000516465828 531817864 /nfs/dbraw/zinc/81/78/64/531817864.db2.gz WJAYIDQQLPAFNE-LBPRGKRZSA-N 1 0 381.889 1.810 20 0 GDADRO COc1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c(Br)c1O ZINC000669831580 531822321 /nfs/dbraw/zinc/82/23/21/531822321.db2.gz GUOSQCYUSVXEFR-UHFFFAOYSA-N 1 0 379.276 1.333 20 0 GDADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000418379768 531822838 /nfs/dbraw/zinc/82/28/38/531822838.db2.gz WHDRZRBZGDBWFC-XHDPSFHLSA-N 1 0 386.290 1.885 20 0 GDADRO O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)NC[C@@H]1CCC[NH2+]1 ZINC000418363927 531823156 /nfs/dbraw/zinc/82/31/56/531823156.db2.gz ITQMLPWKRGSSKN-STQMWFEESA-N 1 0 388.281 1.790 20 0 GDADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418380957 531823411 /nfs/dbraw/zinc/82/34/11/531823411.db2.gz KMWZLZQZYBHWOI-UKRRQHHQSA-N 1 0 384.318 1.960 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC000270039394 531823640 /nfs/dbraw/zinc/82/36/40/531823640.db2.gz NUJBYMZKAYZFEW-UHFFFAOYSA-N 1 0 385.467 1.059 20 0 GDADRO O=C(NC[C@H](CO)Cc1cc(Br)ccc1F)N[C@H]1CCC[NH2+]C1 ZINC000418385621 531823709 /nfs/dbraw/zinc/82/37/09/531823709.db2.gz QJGXVRZURPLFIK-RISCZKNCSA-N 1 0 388.281 1.790 20 0 GDADRO C[C@@H](C[NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cccc(Br)c1 ZINC000623793554 531823950 /nfs/dbraw/zinc/82/39/50/531823950.db2.gz JRVHCQZBZJYHKM-NSHDSACASA-N 1 0 376.320 1.633 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000297836218 531826031 /nfs/dbraw/zinc/82/60/31/531826031.db2.gz MBJAMRZYKHPIJB-UHFFFAOYSA-N 1 0 385.306 1.299 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000418492201 531826672 /nfs/dbraw/zinc/82/66/72/531826672.db2.gz PGDQJKFMVQHGFN-QWRGUYRKSA-N 1 0 376.270 1.633 20 0 GDADRO C[C@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000418515895 531828839 /nfs/dbraw/zinc/82/88/39/531828839.db2.gz QVXOSLYVWIKJTJ-SNVBAGLBSA-N 1 0 395.312 1.357 20 0 GDADRO C[NH2+]CCCNC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000418279707 531819920 /nfs/dbraw/zinc/81/99/20/531819920.db2.gz PSNHEVRMVKHNJE-ZDUSSCGKSA-N 1 0 388.306 1.517 20 0 GDADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)NC2CC[NH2+]CC2)c1 ZINC000418312263 531821506 /nfs/dbraw/zinc/82/15/06/531821506.db2.gz SOXOZOBUNTXAOM-OAHLLOKOSA-N 1 0 386.290 1.885 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418347295 531821679 /nfs/dbraw/zinc/82/16/79/531821679.db2.gz CZAAIMUOVDSHAO-LBPRGKRZSA-N 1 0 382.262 1.812 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000418699535 531834016 /nfs/dbraw/zinc/83/40/16/531834016.db2.gz NWXBQIXXFKRZHX-RYUDHWBXSA-N 1 0 383.290 1.652 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000418693186 531834045 /nfs/dbraw/zinc/83/40/45/531834045.db2.gz JMKRSRZMYZSKDO-SNVBAGLBSA-N 1 0 380.440 1.906 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000418693944 531834361 /nfs/dbraw/zinc/83/43/61/531834361.db2.gz VDRFECFHNOPVNX-RISCZKNCSA-N 1 0 383.290 1.759 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC ZINC000418733231 531835789 /nfs/dbraw/zinc/83/57/89/531835789.db2.gz RDXIPYGCAUOUBY-BXUZGUMPSA-N 1 0 388.306 1.645 20 0 GDADRO COC(=O)[C@H]1CN(c2ncnc3cc(Br)sc32)CC[N@H+](C)C1 ZINC000593479217 531837468 /nfs/dbraw/zinc/83/74/68/531837468.db2.gz IUQXGFPVUACUBF-SECBINFHSA-N 1 0 385.287 1.995 20 0 GDADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)NC[C@H]1C[NH2+]CCO1 ZINC000418769581 531837514 /nfs/dbraw/zinc/83/75/14/531837514.db2.gz PYJLFWAFEVJLQQ-GHMZBOCLSA-N 1 0 378.256 1.021 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])c(Cl)cc21 ZINC000624356158 531837644 /nfs/dbraw/zinc/83/76/44/531837644.db2.gz QCXZWEUOGRIREU-ZBEGNZNMSA-N 1 0 385.917 1.997 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000418774619 531839073 /nfs/dbraw/zinc/83/90/73/531839073.db2.gz DGCKHHCFXBAVOF-IAQYHMDHSA-N 1 0 398.301 1.708 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000418774020 531839229 /nfs/dbraw/zinc/83/92/29/531839229.db2.gz CQDVICCMPGPZNL-IINYFYTJSA-N 1 0 384.274 1.188 20 0 GDADRO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418607190 531831342 /nfs/dbraw/zinc/83/13/42/531831342.db2.gz CMUADOXCJRIORI-OUAUKWLOSA-N 1 0 376.345 1.805 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418591859 531831911 /nfs/dbraw/zinc/83/19/11/531831911.db2.gz KTQUCIYQOPFYJJ-XNRPHZJLSA-N 1 0 384.318 1.897 20 0 GDADRO CC(C)CC[C@H](O)C[NH2+]C1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000563530879 531849642 /nfs/dbraw/zinc/84/96/42/531849642.db2.gz QDKMXDKTJYXKSV-ZDUSSCGKSA-N 1 0 375.457 1.234 20 0 GDADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCNS(=O)(=O)N(C)C ZINC000298103687 531851063 /nfs/dbraw/zinc/85/10/63/531851063.db2.gz NRGSBFVOWZPJML-SNVBAGLBSA-N 1 0 382.299 1.505 20 0 GDADRO O=C(CSCc1cc(-c2cccs2)on1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393456 531851522 /nfs/dbraw/zinc/85/15/22/531851522.db2.gz NMPJRJOTGDZURJ-UONOGXRCSA-N 1 0 379.507 1.914 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000418841235 531851844 /nfs/dbraw/zinc/85/18/44/531851844.db2.gz GUOSSRFFFAFEBK-SJCJKPOMSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000418842491 531852347 /nfs/dbraw/zinc/85/23/47/531852347.db2.gz IJXBWCHIKLOMIW-LBPRGKRZSA-N 1 0 382.302 1.707 20 0 GDADRO Brc1cncc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000641788782 531852394 /nfs/dbraw/zinc/85/23/94/531852394.db2.gz ULRRGGOROJEACS-KRWDZBQOSA-N 1 0 383.334 1.730 20 0 GDADRO CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C[NH3+])C1 ZINC000563571830 531853857 /nfs/dbraw/zinc/85/38/57/531853857.db2.gz HCAMYVRNKKHCLU-GDBMZVCRSA-N 1 0 396.333 1.312 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000418849090 531854210 /nfs/dbraw/zinc/85/42/10/531854210.db2.gz ALNDNYLHYKDYRK-OAHLLOKOSA-N 1 0 382.302 1.974 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)CC[C@H]1[NH3+] ZINC000418852016 531854530 /nfs/dbraw/zinc/85/45/30/531854530.db2.gz UEABNSYEJIUWQU-QMTHXVAHSA-N 1 0 386.265 1.443 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000418788375 531840598 /nfs/dbraw/zinc/84/05/98/531840598.db2.gz VKFVTAZSLKDAFR-PWSUYJOCSA-N 1 0 384.274 1.318 20 0 GDADRO COc1cc(OC)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000624390447 531840855 /nfs/dbraw/zinc/84/08/55/531840855.db2.gz BYNFOJNWICHWJV-HZMBPMFUSA-N 1 0 382.404 1.852 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C[C@@H]1[NH3+] ZINC000418799778 531841187 /nfs/dbraw/zinc/84/11/87/531841187.db2.gz BAMMRZDKUZZNNY-UVJIQFMESA-N 1 0 384.249 1.366 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000593544158 531841738 /nfs/dbraw/zinc/84/17/38/531841738.db2.gz QUUMHNZVKBACNM-ZDUSSCGKSA-N 1 0 375.897 1.880 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000624395919 531842222 /nfs/dbraw/zinc/84/22/22/531842222.db2.gz UOVZOMIFIPWICT-CYBMUJFWSA-N 1 0 392.905 1.270 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000624395920 531842443 /nfs/dbraw/zinc/84/24/43/531842443.db2.gz UOVZOMIFIPWICT-ZDUSSCGKSA-N 1 0 392.905 1.270 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418802784 531842700 /nfs/dbraw/zinc/84/27/00/531842700.db2.gz DPISJFSCXOTEES-SLEUVZQESA-N 1 0 398.276 1.819 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000624410489 531844172 /nfs/dbraw/zinc/84/41/72/531844172.db2.gz VVPFUAROKASQPD-UHFFFAOYSA-N 1 0 381.292 1.444 20 0 GDADRO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C[NH2+]1 ZINC000624406549 531844624 /nfs/dbraw/zinc/84/46/24/531844624.db2.gz GBIPUFZGZYYGDT-CMPLNLGQSA-N 1 0 379.404 1.398 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000563445701 531845526 /nfs/dbraw/zinc/84/55/26/531845526.db2.gz IZIXMRNFYOHWAC-ZDUSSCGKSA-N 1 0 381.489 1.332 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)C1 ZINC000418816867 531846140 /nfs/dbraw/zinc/84/61/40/531846140.db2.gz ZAYSQRHMAKRHOO-LNFKQOIKSA-N 1 0 386.315 1.678 20 0 GDADRO CC(C)[C@](C)([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)C(N)=O ZINC000563479583 531846486 /nfs/dbraw/zinc/84/64/86/531846486.db2.gz KEKFHEMYUFTQBU-AWEZNQCLSA-N 1 0 376.320 1.959 20 0 GDADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418822885 531846751 /nfs/dbraw/zinc/84/67/51/531846751.db2.gz ICNDERIHLZSPKE-GOEBONIOSA-N 1 0 392.297 1.847 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(F)cc2Br)CC1 ZINC000418816485 531846820 /nfs/dbraw/zinc/84/68/20/531846820.db2.gz LUBCUJPMXJTHTD-UHFFFAOYSA-N 1 0 386.265 1.662 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(F)cc3Br)C[C@@H]21 ZINC000418824531 531848085 /nfs/dbraw/zinc/84/80/85/531848085.db2.gz SSYYDXBUNJXJHF-CORIIIEPSA-N 1 0 398.276 1.790 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[NH2+]1 ZINC000418826438 531848383 /nfs/dbraw/zinc/84/83/83/531848383.db2.gz KYVPNEAXOGACND-DRZSPHRISA-N 1 0 398.276 1.771 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC[NH2+]1 ZINC000418824516 531848408 /nfs/dbraw/zinc/84/84/08/531848408.db2.gz JHPYXVTWGWGAKK-YODMDTAWSA-N 1 0 380.286 1.678 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418829394 531848477 /nfs/dbraw/zinc/84/84/77/531848477.db2.gz ISCOCTRMSSARPP-FXUDXRNXSA-N 1 0 392.297 1.774 20 0 GDADRO CSC1(CNC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)CC[NH+](C)CC1 ZINC000563846881 531865808 /nfs/dbraw/zinc/86/58/08/531865808.db2.gz VSOJOOYKEIBTQK-HUUCEWRRSA-N 1 0 389.587 1.565 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])C1 ZINC000595118464 531867016 /nfs/dbraw/zinc/86/70/16/531867016.db2.gz QOCZDMMDPLCEOM-BZUAXINKSA-N 1 0 375.535 1.346 20 0 GDADRO C[C@]1(F)C[NH2+]CCN(c2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000643045313 531867271 /nfs/dbraw/zinc/86/72/71/531867271.db2.gz WIGSTODRCVUMAW-HNNXBMFYSA-N 1 0 382.237 1.528 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000624962172 531868436 /nfs/dbraw/zinc/86/84/36/531868436.db2.gz WHIZCCZEYIIBPX-ZDUSSCGKSA-N 1 0 375.441 1.974 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000418943047 531868664 /nfs/dbraw/zinc/86/86/64/531868664.db2.gz YFIPKALIUTZBLD-UONOGXRCSA-N 1 0 384.274 1.030 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ncccc2Br)C[C@H]1[NH+](C)C ZINC000594764601 531855707 /nfs/dbraw/zinc/85/57/07/531855707.db2.gz AYVFOICEHPTHLG-MNOVXSKESA-N 1 0 380.333 1.510 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000418861027 531857558 /nfs/dbraw/zinc/85/75/58/531857558.db2.gz DXFDNGXAZKGRAR-DGCLKSJQSA-N 1 0 385.306 1.853 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000642328841 531857612 /nfs/dbraw/zinc/85/76/12/531857612.db2.gz YARSEKOPUUYKQY-CYBMUJFWSA-N 1 0 384.274 1.505 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1 ZINC000418861722 531857885 /nfs/dbraw/zinc/85/78/85/531857885.db2.gz HBKWLIVYGYDEAM-BXUZGUMPSA-N 1 0 384.274 1.121 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000642351357 531857990 /nfs/dbraw/zinc/85/79/90/531857990.db2.gz DIYWEOHZPSUZTI-FZMZJTMJSA-N 1 0 396.285 1.586 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])c1ccc(Br)cn1 ZINC000418872437 531858515 /nfs/dbraw/zinc/85/85/15/531858515.db2.gz VZWQDBNPJWSEMN-SUNKGSAMSA-N 1 0 383.290 1.607 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000642351400 531858690 /nfs/dbraw/zinc/85/86/90/531858690.db2.gz PCAMIWLXPJGHAU-BXUZGUMPSA-N 1 0 396.285 1.647 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000418870721 531858877 /nfs/dbraw/zinc/85/88/77/531858877.db2.gz SLZDDHJEOREGFB-UHIISALHSA-N 1 0 383.290 1.750 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)C(=O)NC1CC[NH2+]CC1 ZINC000418868308 531859063 /nfs/dbraw/zinc/85/90/63/531859063.db2.gz QOXWIMSNDRZXBM-CYBMUJFWSA-N 1 0 395.301 1.012 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000454705665 531859442 /nfs/dbraw/zinc/85/94/42/531859442.db2.gz CBSBGRZEWKBFFU-ZIAGYGMSSA-N 1 0 385.306 1.783 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418884938 531859742 /nfs/dbraw/zinc/85/97/42/531859742.db2.gz ODWJWUMFRCGYTG-ZDUSSCGKSA-N 1 0 398.232 1.174 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418888113 531860501 /nfs/dbraw/zinc/86/05/01/531860501.db2.gz SPMWUDTVNJXKNW-LBPRGKRZSA-N 1 0 388.237 1.254 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCO1 ZINC000642692617 531862210 /nfs/dbraw/zinc/86/22/10/531862210.db2.gz GYZPRQHKHHRGNX-BPNCWPANSA-N 1 0 383.901 1.568 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642769531 531863592 /nfs/dbraw/zinc/86/35/92/531863592.db2.gz TWROIIIOFGMEHY-GXFFZTMASA-N 1 0 386.283 1.127 20 0 GDADRO C[C@@H](CSCCF)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000595018119 531864830 /nfs/dbraw/zinc/86/48/30/531864830.db2.gz QEBLJLCXHQBBRO-HNNXBMFYSA-N 1 0 390.550 1.214 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000418948828 531870845 /nfs/dbraw/zinc/87/08/45/531870845.db2.gz RAKWWROTCFMBKT-ZYHUDNBSSA-N 1 0 386.265 1.790 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@@H](C)C[NH3+])cc(Br)c1C ZINC000564960469 531871538 /nfs/dbraw/zinc/87/15/38/531871538.db2.gz ZPNPSGAQROHGJY-VIFPVBQESA-N 1 0 393.303 1.807 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1Br ZINC000564958972 531871623 /nfs/dbraw/zinc/87/16/23/531871623.db2.gz FVXJGXKYNOQUNC-LLVKDONJSA-N 1 0 390.303 1.767 20 0 GDADRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000564967343 531872308 /nfs/dbraw/zinc/87/23/08/531872308.db2.gz XNRIDPOIPQWBOF-UHFFFAOYSA-N 1 0 380.919 1.387 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418970070 531874479 /nfs/dbraw/zinc/87/44/79/531874479.db2.gz KKSGUTCJALIYNB-UWVGGRQHSA-N 1 0 394.273 1.137 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000418962587 531874546 /nfs/dbraw/zinc/87/45/46/531874546.db2.gz DIUVBYBGCWPLRE-UHFFFAOYSA-N 1 0 394.273 1.139 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(C)c2)C1 ZINC000418983476 531875915 /nfs/dbraw/zinc/87/59/15/531875915.db2.gz CLDDCLXHSNYQIN-AWEZNQCLSA-N 1 0 382.302 1.832 20 0 GDADRO Cc1cc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)ccc1Br ZINC000418992715 531877244 /nfs/dbraw/zinc/87/72/44/531877244.db2.gz ONJLJLVVXABRMO-BXUZGUMPSA-N 1 0 398.301 1.603 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)[C@@H]1C[NH3+] ZINC000419002930 531878737 /nfs/dbraw/zinc/87/87/37/531878737.db2.gz ZSTPPQBOJHNRDF-IUODEOHRSA-N 1 0 382.302 1.694 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1Br ZINC000419005673 531878756 /nfs/dbraw/zinc/87/87/56/531878756.db2.gz GXRIRKBQORYBCM-WOPDTQHZSA-N 1 0 398.301 1.844 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000419009208 531879272 /nfs/dbraw/zinc/87/92/72/531879272.db2.gz MZEPOHXHNHMGRU-NSHDSACASA-N 1 0 398.301 1.845 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1Br ZINC000419011859 531879806 /nfs/dbraw/zinc/87/98/06/531879806.db2.gz UDDAIHSEITWKPC-TVQRCGJNSA-N 1 0 384.274 1.488 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000455802592 531881172 /nfs/dbraw/zinc/88/11/72/531881172.db2.gz NRIMPCWVFGNXLU-LBPRGKRZSA-N 1 0 398.305 1.861 20 0 GDADRO O=C1CCC(=O)N1CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000566108070 531881177 /nfs/dbraw/zinc/88/11/77/531881177.db2.gz UTYZSYZOGKFFEY-GFCCVEGCSA-N 1 0 375.252 1.862 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419017902 531881979 /nfs/dbraw/zinc/88/19/79/531881979.db2.gz GRFQBUHFJLAPCD-DOMZBBRYSA-N 1 0 382.302 1.755 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CCC1 ZINC000419030032 531884591 /nfs/dbraw/zinc/88/45/91/531884591.db2.gz ZRTXLHMMIYFRGT-GFCCVEGCSA-N 1 0 382.258 1.387 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000419051195 531891372 /nfs/dbraw/zinc/89/13/72/531891372.db2.gz FHUJQSMYOJWGRV-JOYOIKCWSA-N 1 0 387.267 1.021 20 0 GDADRO CCOC(=O)CC1([NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)CCOCC1 ZINC000595877962 531892068 /nfs/dbraw/zinc/89/20/68/531892068.db2.gz NWUZHNVQLHKXOF-UHFFFAOYSA-N 1 0 390.889 1.579 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419051289 531892261 /nfs/dbraw/zinc/89/22/61/531892261.db2.gz FUQFAPKPHMGYKZ-NVBFEUDRSA-N 1 0 398.276 1.456 20 0 GDADRO O=C(NCCSCCOc1cccc(Br)c1)C1(O)C[NH2+]C1 ZINC000595935231 531893015 /nfs/dbraw/zinc/89/30/15/531893015.db2.gz BYXBVCOTKVABGU-UHFFFAOYSA-N 1 0 375.288 1.012 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000566721144 531893036 /nfs/dbraw/zinc/89/30/36/531893036.db2.gz BZXXEIIULLPQEK-CQSZACIVSA-N 1 0 397.317 1.927 20 0 GDADRO C[C@@H](CNC(=O)CCN1C(=O)COc2cc(Br)ccc21)C[NH+](C)C ZINC000566730718 531893092 /nfs/dbraw/zinc/89/30/92/531893092.db2.gz RHIHDCDEKGXDJE-LBPRGKRZSA-N 1 0 398.301 1.879 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)Oc1ccccc1Br ZINC000566728412 531893144 /nfs/dbraw/zinc/89/31/44/531893144.db2.gz TYCBPISEQVWIDZ-STQMWFEESA-N 1 0 398.301 1.530 20 0 GDADRO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647870850 531899615 /nfs/dbraw/zinc/89/96/15/531899615.db2.gz FTIFOLGZQRNDLV-CYBMUJFWSA-N 1 0 377.432 1.621 20 0 GDADRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC000647272244 531894081 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C[C@H]1CN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000419079731 531897535 /nfs/dbraw/zinc/89/75/35/531897535.db2.gz NPHOICDJPQKJIG-LBPRGKRZSA-N 1 0 380.286 1.417 20 0 GDADRO CN1CCN(S(=O)(=O)c2cccc(Cl)c2Br)[C@@H](C[NH3+])C1 ZINC000567592667 531898140 /nfs/dbraw/zinc/89/81/40/531898140.db2.gz BHRXPFYOAZVGHW-VIFPVBQESA-N 1 0 382.711 1.366 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419078528 531898138 /nfs/dbraw/zinc/89/81/38/531898138.db2.gz ZBDORSSWIVNAAX-ZANVPECISA-N 1 0 388.693 1.833 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000283810390 531898741 /nfs/dbraw/zinc/89/87/41/531898741.db2.gz XHSLKXKWAJGYBB-NSHDSACASA-N 1 0 381.420 1.440 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000283807601 531899214 /nfs/dbraw/zinc/89/92/14/531899214.db2.gz WXKRZUIPJJNQBA-UHFFFAOYSA-N 1 0 376.320 1.627 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1F ZINC000567612547 531899266 /nfs/dbraw/zinc/89/92/66/531899266.db2.gz SZYHLKPLEDDDSD-QWRGUYRKSA-N 1 0 381.495 1.380 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@H]1c1ccc(Br)cc1 ZINC000595963567 531899264 /nfs/dbraw/zinc/89/92/64/531899264.db2.gz NFANVXGVGTXKGC-CYUUQNCZSA-N 1 0 381.270 1.901 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368054153 531887295 /nfs/dbraw/zinc/88/72/95/531887295.db2.gz KBGSLOUOACYVKT-GHMZBOCLSA-N 1 0 392.253 1.113 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419042021 531887393 /nfs/dbraw/zinc/88/73/93/531887393.db2.gz ORUIAZPYRIDQFR-SUNKGSAMSA-N 1 0 396.285 1.633 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C[C@@H](C)[NH2+]1 ZINC000419040483 531887638 /nfs/dbraw/zinc/88/76/38/531887638.db2.gz MMSAGPLKSQIFJX-JTNHKYCSSA-N 1 0 396.285 1.598 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419043946 531888413 /nfs/dbraw/zinc/88/84/13/531888413.db2.gz OQPDEUPRRHVEAX-KXUCPTDWSA-N 1 0 378.420 1.782 20 0 GDADRO CC(C)(CNC(=O)COCC[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000646032615 531889600 /nfs/dbraw/zinc/88/96/00/531889600.db2.gz GPHUXYUSQPZUPM-UHFFFAOYSA-N 1 0 393.303 1.093 20 0 GDADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419046367 531889924 /nfs/dbraw/zinc/88/99/24/531889924.db2.gz XXMQFCUUVVMHQW-GXFFZTMASA-N 1 0 382.258 1.257 20 0 GDADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCc1ccccc1Br ZINC000419155697 531905759 /nfs/dbraw/zinc/90/57/59/531905759.db2.gz ZZZKMFSQOXXMND-AWEZNQCLSA-N 1 0 382.302 1.960 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419154196 531905888 /nfs/dbraw/zinc/90/58/88/531905888.db2.gz PUYBURVBXFZWBZ-LBPRGKRZSA-N 1 0 398.301 1.314 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2cc(F)ccc2Br)C1 ZINC000419160627 531906078 /nfs/dbraw/zinc/90/60/78/531906078.db2.gz QBUZOLMCCYWIET-LLVKDONJSA-N 1 0 386.265 1.662 20 0 GDADRO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)sc1S(N)(=O)=O ZINC000648143236 531908341 /nfs/dbraw/zinc/90/83/41/531908341.db2.gz LYVQTQWDYLAJQR-NEPJUHHUSA-N 1 0 387.527 1.256 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)NCCc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000419188695 531910191 /nfs/dbraw/zinc/91/01/91/531910191.db2.gz KPPNDDBEWAIJMJ-QGZVFWFLSA-N 1 0 382.302 1.614 20 0 GDADRO CCC[N@H+](C)[C@H](CNC(=O)[C@H]1CCN(C)S1(=O)=O)c1ccc(Cl)cc1 ZINC000648388437 531910629 /nfs/dbraw/zinc/91/06/29/531910629.db2.gz SNCDSIAYSWTXKR-HZPDHXFCSA-N 1 0 387.933 1.873 20 0 GDADRO CSc1ccc(CCNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000283926178 531910589 /nfs/dbraw/zinc/91/05/89/531910589.db2.gz DWNKHZQGOGSRSP-GOSISDBHSA-N 1 0 381.567 1.621 20 0 GDADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000568525514 531911699 /nfs/dbraw/zinc/91/16/99/531911699.db2.gz SNLCTLGXCLGVCP-UHFFFAOYSA-N 1 0 383.539 1.876 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419195316 531911708 /nfs/dbraw/zinc/91/17/08/531911708.db2.gz XVSVEHRKTXMXNB-DZGCQCFKSA-N 1 0 395.301 1.094 20 0 GDADRO COc1ccc([C@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000675816989 531911771 /nfs/dbraw/zinc/91/17/71/531911771.db2.gz JEBVJQGSYBLNJP-ZDUSSCGKSA-N 1 0 375.922 1.576 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000675817790 531911883 /nfs/dbraw/zinc/91/18/83/531911883.db2.gz ZJFAPKZLXCNJEI-MRXNPFEDSA-N 1 0 387.933 1.721 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCc1ccccc1Br)C[NH+]1CCCC1 ZINC000283947754 531912321 /nfs/dbraw/zinc/91/23/21/531912321.db2.gz RDYUPGLRMKERMA-CYBMUJFWSA-N 1 0 382.302 1.913 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCCNS(=O)(=O)CC ZINC000298709948 531912636 /nfs/dbraw/zinc/91/26/36/531912636.db2.gz ZSVJPBIQNWTHPM-UHFFFAOYSA-N 1 0 390.575 1.541 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000419206887 531912974 /nfs/dbraw/zinc/91/29/74/531912974.db2.gz NPJLLNVCYMBJHD-NEPJUHHUSA-N 1 0 398.301 1.660 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419207241 531913168 /nfs/dbraw/zinc/91/31/68/531913168.db2.gz OMOWECLJPVKCAM-UHFFFAOYSA-N 1 0 386.290 1.517 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1ccccc1Br ZINC000419204584 531913363 /nfs/dbraw/zinc/91/33/63/531913363.db2.gz JFSBAOLREGTELG-SMDDNHRTSA-N 1 0 398.301 1.337 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000419081608 531900015 /nfs/dbraw/zinc/90/00/15/531900015.db2.gz RXLAMBZGMLUNIY-CABCVRRESA-N 1 0 394.313 1.983 20 0 GDADRO C[C@]1(CNC(=O)C(=O)NCCc2ccc(Br)s2)CCC[NH2+]C1 ZINC000419113634 531901777 /nfs/dbraw/zinc/90/17/77/531901777.db2.gz LRFQWUPZNBYEPA-HNNXBMFYSA-N 1 0 388.331 1.675 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)CC[C@@H]1[NH3+] ZINC000419135809 531902150 /nfs/dbraw/zinc/90/21/50/531902150.db2.gz NQLLTYNOHVPSAQ-ZANVPECISA-N 1 0 388.693 1.914 20 0 GDADRO C[C@@H](NCC1([NH3+])CCC1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000647907546 531902418 /nfs/dbraw/zinc/90/24/18/531902418.db2.gz MGTRSOBOBCTAJK-LLVKDONJSA-N 1 0 388.921 1.388 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000419134267 531902791 /nfs/dbraw/zinc/90/27/91/531902791.db2.gz JNXLWJBDRASKPT-JOYOIKCWSA-N 1 0 388.693 1.962 20 0 GDADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1cc(Br)cc2c1OCC2 ZINC000368314413 531903273 /nfs/dbraw/zinc/90/32/73/531903273.db2.gz FXEHHZCNYGQXJS-CYBMUJFWSA-N 1 0 387.299 1.804 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000368313931 531903981 /nfs/dbraw/zinc/90/39/81/531903981.db2.gz XYSPDSFNLMRZTQ-ZWNOBZJWSA-N 1 0 375.288 1.830 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000568749393 531917379 /nfs/dbraw/zinc/91/73/79/531917379.db2.gz XLGCULGIBGRGHP-LBPRGKRZSA-N 1 0 375.288 1.433 20 0 GDADRO NS(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000625867126 531917601 /nfs/dbraw/zinc/91/76/01/531917601.db2.gz AUNLAMZRCPPUDJ-JOYOIKCWSA-N 1 0 380.392 1.325 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)CCc3cccc(Cl)c3)CC2)C1 ZINC000368511576 531917822 /nfs/dbraw/zinc/91/78/22/531917822.db2.gz KYAHMUNCGAXYAW-SFHVURJKSA-N 1 0 385.961 1.924 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000419255779 531918301 /nfs/dbraw/zinc/91/83/01/531918301.db2.gz WSJAOEKLDZNMDM-ZYHUDNBSSA-N 1 0 384.299 1.662 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000419257528 531918507 /nfs/dbraw/zinc/91/85/07/531918507.db2.gz IUSUFWCIJNZLAX-ZDUSSCGKSA-N 1 0 398.301 1.402 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc1Br ZINC000456511940 531918595 /nfs/dbraw/zinc/91/85/95/531918595.db2.gz ZSYXOTOZSMZDBF-VHDGCEQUSA-N 1 0 399.329 1.923 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419262519 531919383 /nfs/dbraw/zinc/91/93/83/531919383.db2.gz SSIAABYWHYTETQ-DOMZBBRYSA-N 1 0 398.301 1.578 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000625892734 531919355 /nfs/dbraw/zinc/91/93/55/531919355.db2.gz XBDPRBNDVKNPEJ-GFCCVEGCSA-N 1 0 383.294 1.079 20 0 GDADRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000298786037 531919576 /nfs/dbraw/zinc/91/95/76/531919576.db2.gz PGHLMNSABRLIMY-UHFFFAOYSA-N 1 0 387.571 1.833 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000625898267 531919688 /nfs/dbraw/zinc/91/96/88/531919688.db2.gz LHBMKPSBGKUZFV-SECBINFHSA-N 1 0 385.184 1.932 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419263538 531919756 /nfs/dbraw/zinc/91/97/56/531919756.db2.gz VVMQKOZSVWTHNX-WFASDCNBSA-N 1 0 398.301 1.672 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419264016 531919766 /nfs/dbraw/zinc/91/97/66/531919766.db2.gz WUFJMOLRPDDNNI-NWDGAFQWSA-N 1 0 384.274 1.153 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419258979 531920095 /nfs/dbraw/zinc/92/00/95/531920095.db2.gz KDAGQCYFDHBYTA-FZMZJTMJSA-N 1 0 384.274 1.201 20 0 GDADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649079977 531920527 /nfs/dbraw/zinc/92/05/27/531920527.db2.gz NZYFYOKUCCXWEV-CHWSQXEVSA-N 1 0 398.301 1.795 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2csc(Br)c2)[C@@H](C[NH3+])C1 ZINC000419274025 531920995 /nfs/dbraw/zinc/92/09/95/531920995.db2.gz BFSBODJMSUYCDA-GHMZBOCLSA-N 1 0 390.303 1.092 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCc1ccsc1Br)C[NH+]1CCCC1 ZINC000284020512 531921686 /nfs/dbraw/zinc/92/16/86/531921686.db2.gz VUMOKLDMBRYHIQ-NSHDSACASA-N 1 0 388.331 1.975 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000419286247 531921777 /nfs/dbraw/zinc/92/17/77/531921777.db2.gz QKFZZVFFIBEUQV-LLVKDONJSA-N 1 0 376.284 1.393 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1SCCc2sccc21 ZINC000368536107 531921804 /nfs/dbraw/zinc/92/18/04/531921804.db2.gz AOSXEBIJLIGBPN-YOEHRIQHSA-N 1 0 381.567 1.601 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419310801 531923013 /nfs/dbraw/zinc/92/30/13/531923013.db2.gz BBJDHNIOYAAXCM-MNOVXSKESA-N 1 0 380.901 1.804 20 0 GDADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1COc2ccc(Br)cc21 ZINC000569482804 531924202 /nfs/dbraw/zinc/92/42/02/531924202.db2.gz VHXQRVHVEAOYKD-NSHDSACASA-N 1 0 393.245 1.092 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)CC[C@@H]1[NH3+] ZINC000419338859 531924251 /nfs/dbraw/zinc/92/42/51/531924251.db2.gz TUSULLNOMLRABO-PWSUYJOCSA-N 1 0 380.901 1.804 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419329413 531924910 /nfs/dbraw/zinc/92/49/10/531924910.db2.gz GIMHLFAHWFTRHE-JQWIXIFHSA-N 1 0 380.901 1.852 20 0 GDADRO O=C(NCCc1nc2cc(Cl)ccc2s1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419328188 531925028 /nfs/dbraw/zinc/92/50/28/531925028.db2.gz FALXPTUFBPPSEX-PHIMTYICSA-N 1 0 378.885 1.286 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)CC[NH2+]1 ZINC000419328440 531925081 /nfs/dbraw/zinc/92/50/81/531925081.db2.gz FOYRMVTYTMGQTD-CMPLNLGQSA-N 1 0 380.901 1.865 20 0 GDADRO COC(=O)C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CCO1 ZINC000569482667 531925226 /nfs/dbraw/zinc/92/52/26/531925226.db2.gz OIYGANZPAFZRJW-CZUORRHYSA-N 1 0 385.258 1.414 20 0 GDADRO C[C@]([NH3+])(C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000649320808 531925611 /nfs/dbraw/zinc/92/56/11/531925611.db2.gz ANUBWISHEJGONH-SOLBZPMBSA-N 1 0 396.329 1.681 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000298829102 531926084 /nfs/dbraw/zinc/92/60/84/531926084.db2.gz VKYFJPWEQABFNS-ZDUSSCGKSA-N 1 0 385.306 1.299 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419238656 531916274 /nfs/dbraw/zinc/91/62/74/531916274.db2.gz DIPDIXVLKCSXCU-AAEUAGOBSA-N 1 0 398.326 1.923 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000270833716 531928901 /nfs/dbraw/zinc/92/89/01/531928901.db2.gz DNYNBPALAMYDQC-IUODEOHRSA-N 1 0 397.317 1.972 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419358874 531929762 /nfs/dbraw/zinc/92/97/62/531929762.db2.gz PUVAMSUHXSGBLB-GXFFZTMASA-N 1 0 384.274 1.188 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419363836 531929878 /nfs/dbraw/zinc/92/98/78/531929878.db2.gz VWMSZHLVOGKJPS-AAEUAGOBSA-N 1 0 398.301 1.517 20 0 GDADRO O=C(NCc1ccc(O)c(Br)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419415512 531931265 /nfs/dbraw/zinc/93/12/65/531931265.db2.gz VHYBUUZTTPDPOI-RWMBFGLXSA-N 1 0 396.285 1.275 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(O)c(Br)c2)C[C@H]1C[NH3+] ZINC000419412830 531931359 /nfs/dbraw/zinc/93/13/59/531931359.db2.gz RNJNUDAKDLHIGN-CMPLNLGQSA-N 1 0 384.274 1.214 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)NCc2cc(Br)cs2)CC1=O ZINC000650682647 531932132 /nfs/dbraw/zinc/93/21/32/531932132.db2.gz ZAHGNMLEMDOPLG-UHFFFAOYSA-N 1 0 389.319 1.426 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Br ZINC000419447119 531932996 /nfs/dbraw/zinc/93/29/96/531932996.db2.gz ULOCMDXJWURTMI-BETUJISGSA-N 1 0 396.285 1.427 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1Br ZINC000419443192 531933813 /nfs/dbraw/zinc/93/38/13/531933813.db2.gz PDYQZFCHMPMWFV-AWEZNQCLSA-N 1 0 398.301 1.708 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc2nccnc2c1Br ZINC000626562551 531935560 /nfs/dbraw/zinc/93/55/60/531935560.db2.gz RADADXAIZPQOCL-SNVBAGLBSA-N 1 0 380.246 1.580 20 0 GDADRO C[NH+](C)CCOc1cccc(CNC(=O)Cn2cc(Br)cn2)c1 ZINC000298894215 531936010 /nfs/dbraw/zinc/93/60/10/531936010.db2.gz ULRMEGLRHHSXKH-UHFFFAOYSA-N 1 0 381.274 1.902 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000419568496 531936241 /nfs/dbraw/zinc/93/62/41/531936241.db2.gz KTIWUPHZEDUJOS-MNOVXSKESA-N 1 0 388.299 1.421 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000419591026 531938026 /nfs/dbraw/zinc/93/80/26/531938026.db2.gz SZLOWXDNSODIEP-WMLDXEAASA-N 1 0 380.286 1.750 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CCOCC1 ZINC000626860235 531938786 /nfs/dbraw/zinc/93/87/86/531938786.db2.gz RPZIDHQAEAOMIR-UHFFFAOYSA-N 1 0 397.273 1.284 20 0 GDADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC3([NH3+])CCOCC3)n2)s1 ZINC000626860001 531939097 /nfs/dbraw/zinc/93/90/97/531939097.db2.gz OUDLVTNADRCMHO-UHFFFAOYSA-N 1 0 380.495 1.743 20 0 GDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCOc2c(Br)cccc2C1 ZINC000684330022 531939229 /nfs/dbraw/zinc/93/92/29/531939229.db2.gz PGBXLCMGPBSQEF-HNNXBMFYSA-N 1 0 380.286 1.560 20 0 GDADRO CCc1nc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)sc1C ZINC000626860516 531939299 /nfs/dbraw/zinc/93/92/99/531939299.db2.gz GDOWUQORSNWZKW-ZJUUUORDSA-N 1 0 378.420 1.938 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)Oc1ccccc1Br ZINC000419613740 531940925 /nfs/dbraw/zinc/94/09/25/531940925.db2.gz NWDGGTZZBKZZIG-VXGBXAGGSA-N 1 0 384.274 1.282 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)Oc1ccccc1Br ZINC000419611965 531941031 /nfs/dbraw/zinc/94/10/31/531941031.db2.gz LGVLJZMZECDZFW-SJCJKPOMSA-N 1 0 398.301 1.530 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000419609359 531941177 /nfs/dbraw/zinc/94/11/77/531941177.db2.gz JEBMWMCWBHAPEL-AAEUAGOBSA-N 1 0 384.274 1.153 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)Oc1cccc(Br)c1 ZINC000419612408 531941345 /nfs/dbraw/zinc/94/13/45/531941345.db2.gz MDRSKYDEYCWMGD-MRVWCRGKSA-N 1 0 398.301 1.719 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)Oc1cccc(Br)c1 ZINC000419613766 531941638 /nfs/dbraw/zinc/94/16/38/531941638.db2.gz NZNKJOQGBKVBMQ-LALPHHSUSA-N 1 0 398.301 1.528 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419620681 531942328 /nfs/dbraw/zinc/94/23/28/531942328.db2.gz DZXAVBIIEXGGAS-GYSYKLTISA-N 1 0 386.290 1.352 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000284242945 531942569 /nfs/dbraw/zinc/94/25/69/531942569.db2.gz GRDDVPNGSWUCIB-LBPRGKRZSA-N 1 0 385.559 1.505 20 0 GDADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)C(F)F ZINC000627097180 531943295 /nfs/dbraw/zinc/94/32/95/531943295.db2.gz DRRRRMPCMKELKD-QWRGUYRKSA-N 1 0 378.782 1.866 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627036413 531943317 /nfs/dbraw/zinc/94/33/17/531943317.db2.gz GKSJPXXVTRFHRX-TZMCWYRMSA-N 1 0 388.921 1.366 20 0 GDADRO C[NH2+]CCOCCNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000627029577 531943676 /nfs/dbraw/zinc/94/36/76/531943676.db2.gz YFNFZGPKXOKJKM-GFCCVEGCSA-N 1 0 376.226 1.557 20 0 GDADRO CS[C@H]1CN(C(=O)c2sccc2S(N)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000597507711 531944061 /nfs/dbraw/zinc/94/40/61/531944061.db2.gz SBSRFEGVTWJSTD-MNOVXSKESA-N 1 0 375.541 1.047 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419624431 531944162 /nfs/dbraw/zinc/94/41/62/531944162.db2.gz IKCKKCAHLKIOFI-DFBGVHRSSA-N 1 0 398.301 1.591 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 ZINC000270932399 531944550 /nfs/dbraw/zinc/94/45/50/531944550.db2.gz HPBNVBIRPMFDAX-LBPRGKRZSA-N 1 0 395.522 1.596 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)Oc1cccc(Br)c1 ZINC000419625051 531944877 /nfs/dbraw/zinc/94/48/77/531944877.db2.gz VZCMBQRSUASIQC-ZOWXZIJZSA-N 1 0 398.301 1.447 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419626984 531945117 /nfs/dbraw/zinc/94/51/17/531945117.db2.gz KLRVNBMGFPUFSS-DOMZBBRYSA-N 1 0 398.301 1.463 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cc(Cl)sc1Cl ZINC000419625674 531945481 /nfs/dbraw/zinc/94/54/81/531945481.db2.gz JIONNXWBXKHKNG-CBAPKCEASA-N 1 0 380.297 1.900 20 0 GDADRO O=C(NCc1cccc(Br)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419636230 531946423 /nfs/dbraw/zinc/94/64/23/531946423.db2.gz GZMURCUFUNBUJJ-UMVBOHGHSA-N 1 0 380.286 1.570 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@H]1CC[NH3+] ZINC000652378683 531946610 /nfs/dbraw/zinc/94/66/10/531946610.db2.gz XPMBHDYRWSNHIQ-BBRMVZONSA-N 1 0 389.543 1.075 20 0 GDADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000652382246 531948235 /nfs/dbraw/zinc/94/82/35/531948235.db2.gz MRWQOHKDBHVUKO-UHFFFAOYSA-N 1 0 380.491 1.313 20 0 GDADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000652381787 531948662 /nfs/dbraw/zinc/94/86/62/531948662.db2.gz QAPFIFCLFVWPQE-UHFFFAOYSA-N 1 0 379.873 1.889 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000627312194 531949260 /nfs/dbraw/zinc/94/92/60/531949260.db2.gz RVVZNUGBWPMJFS-ZWKOPEQDSA-N 1 0 382.258 1.256 20 0 GDADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000627314597 531949513 /nfs/dbraw/zinc/94/95/13/531949513.db2.gz HTXIFUOEIUSJBM-UWVGGRQHSA-N 1 0 378.420 1.796 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000419670429 531950850 /nfs/dbraw/zinc/95/08/50/531950850.db2.gz CZYWFMCUNPOVHV-UHFFFAOYSA-N 1 0 396.285 1.198 20 0 GDADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419670823 531951545 /nfs/dbraw/zinc/95/15/45/531951545.db2.gz DZCGFFWRIWEHNM-NSHDSACASA-N 1 0 393.285 1.662 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCc4c3cccc4Br)C[C@H]12 ZINC000419592684 531939876 /nfs/dbraw/zinc/93/98/76/531939876.db2.gz WJLCHOOUAZFMMZ-SUZRMVIJSA-N 1 0 392.297 1.748 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000626872146 531939881 /nfs/dbraw/zinc/93/98/81/531939881.db2.gz SOIRKTZHNPZOOB-UHFFFAOYSA-N 1 0 392.681 1.735 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419594342 531940156 /nfs/dbraw/zinc/94/01/56/531940156.db2.gz ZEUKYKLFOGRLHF-ABAIWWIYSA-N 1 0 380.286 1.668 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1c(F)cccc1Br ZINC000626872132 531940222 /nfs/dbraw/zinc/94/02/22/531940222.db2.gz SAXAXFJXCPMGBZ-UHFFFAOYSA-N 1 0 376.226 1.221 20 0 GDADRO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000270904843 531940303 /nfs/dbraw/zinc/94/03/03/531940303.db2.gz KIISJPNDEHOOLM-STQMWFEESA-N 1 0 387.889 1.109 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000457600544 531957517 /nfs/dbraw/zinc/95/75/17/531957517.db2.gz FCYBBEZMJFDFAQ-CVEARBPZSA-N 1 0 376.567 1.514 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739212 531961364 /nfs/dbraw/zinc/96/13/64/531961364.db2.gz KTDVXJJCUGXUHY-UHFFFAOYSA-N 1 0 387.527 1.031 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000284354283 531952141 /nfs/dbraw/zinc/95/21/41/531952141.db2.gz ATQBNHWWLIWXBW-UHFFFAOYSA-N 1 0 375.803 1.768 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000627445271 531952592 /nfs/dbraw/zinc/95/25/92/531952592.db2.gz HXRJWSWHHOCLFV-HNNXBMFYSA-N 1 0 392.297 1.735 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419679992 531953848 /nfs/dbraw/zinc/95/38/48/531953848.db2.gz RHPQVPXHKMCGQY-LLVKDONJSA-N 1 0 396.285 1.116 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C2 ZINC000627477670 531954027 /nfs/dbraw/zinc/95/40/27/531954027.db2.gz ZUUZXGNWLWXODP-AAEUAGOBSA-N 1 0 380.286 1.856 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CCOc2ccc(Br)cc2)C[NH2+]1 ZINC000627480046 531954444 /nfs/dbraw/zinc/95/44/44/531954444.db2.gz KICBMRHXDGRDFH-GXTWGEPZSA-N 1 0 398.301 1.543 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000419682745 531955357 /nfs/dbraw/zinc/95/53/57/531955357.db2.gz WBFNASIYTBYXKV-KRWDZBQOSA-N 1 0 396.285 1.198 20 0 GDADRO C[C@H]1C[N@H+](CCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)CCCO1 ZINC000419690454 531956036 /nfs/dbraw/zinc/95/60/36/531956036.db2.gz CFGOJWJTTVQNGO-ZDUSSCGKSA-N 1 0 375.922 1.578 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284414768 531956149 /nfs/dbraw/zinc/95/61/49/531956149.db2.gz UUEOTVILHBFERC-VXGBXAGGSA-N 1 0 386.315 1.870 20 0 GDADRO COC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000271094644 531965184 /nfs/dbraw/zinc/96/51/84/531965184.db2.gz LJILUOXFEJVBRN-OCCSQVGLSA-N 1 0 388.511 1.148 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419764235 531966444 /nfs/dbraw/zinc/96/64/44/531966444.db2.gz VWLOVFGUPZUSFP-QWHCGFSZSA-N 1 0 385.295 1.557 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419759875 531966707 /nfs/dbraw/zinc/96/67/07/531966707.db2.gz MSIDAYKBSNAFBE-NWDGAFQWSA-N 1 0 385.295 1.509 20 0 GDADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000271106249 531967595 /nfs/dbraw/zinc/96/75/95/531967595.db2.gz OTSROKKWJHKFNW-STQMWFEESA-N 1 0 392.930 1.793 20 0 GDADRO CS[C@H]1CN(C(=O)CCC(=O)Nc2nnc(C(C)C)s2)C[C@@H]1[NH+](C)C ZINC000271111261 531968487 /nfs/dbraw/zinc/96/84/87/531968487.db2.gz IYLYUIQAFAWIDI-RYUDHWBXSA-N 1 0 385.559 1.884 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000271130286 531971209 /nfs/dbraw/zinc/97/12/09/531971209.db2.gz RVFKYSZUVGTTMM-QWHCGFSZSA-N 1 0 389.905 1.355 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000271130281 531971619 /nfs/dbraw/zinc/97/16/19/531971619.db2.gz RVFKYSZUVGTTMM-CHWSQXEVSA-N 1 0 389.905 1.355 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419811036 531972235 /nfs/dbraw/zinc/97/22/35/531972235.db2.gz IRORQBSKWCDQHT-SWLSCSKDSA-N 1 0 396.329 1.957 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC[NH2+]CCOC ZINC000271142772 531972416 /nfs/dbraw/zinc/97/24/16/531972416.db2.gz OTDYXQVHNIKGDC-CQSZACIVSA-N 1 0 388.555 1.703 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419809034 531972819 /nfs/dbraw/zinc/97/28/19/531972819.db2.gz HAYDXVKXEAAOEO-WFASDCNBSA-N 1 0 396.329 1.957 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000419814862 531973369 /nfs/dbraw/zinc/97/33/69/531973369.db2.gz KLDBWZQFQHUIKB-ZDUSSCGKSA-N 1 0 396.329 1.911 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000419822057 531974096 /nfs/dbraw/zinc/97/40/96/531974096.db2.gz NRPIUVCQTFJJAV-SWLSCSKDSA-N 1 0 384.318 1.986 20 0 GDADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC(=O)N1CCOCC1 ZINC000655756320 531975562 /nfs/dbraw/zinc/97/55/62/531975562.db2.gz RDZWUPNIMJNSBN-UHFFFAOYSA-N 1 0 393.285 1.892 20 0 GDADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000655780509 531975965 /nfs/dbraw/zinc/97/59/65/531975965.db2.gz QJLAPRWAXOSAGI-AWEZNQCLSA-N 1 0 391.273 1.685 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419849403 531977743 /nfs/dbraw/zinc/97/77/43/531977743.db2.gz YKBFQFCSIXUBDP-VXGBXAGGSA-N 1 0 380.286 1.763 20 0 GDADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000419853450 531977783 /nfs/dbraw/zinc/97/77/83/531977783.db2.gz SJDFRJLHHWJWDL-UHFFFAOYSA-N 1 0 392.297 1.933 20 0 GDADRO C[N@@H+]1CCCC[C@H](CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000628740748 531978453 /nfs/dbraw/zinc/97/84/53/531978453.db2.gz VXCGHAURXGHXQI-CQSZACIVSA-N 1 0 387.933 1.857 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419852276 531978615 /nfs/dbraw/zinc/97/86/15/531978615.db2.gz CLESGNXOVIDJKD-CYBMUJFWSA-N 1 0 382.302 1.832 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000419849125 531978617 /nfs/dbraw/zinc/97/86/17/531978617.db2.gz XSHBEHIGZBJIHN-MRXNPFEDSA-N 1 0 392.297 1.933 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419984502 531992294 /nfs/dbraw/zinc/99/22/94/531992294.db2.gz VQYKFVFYARVGOQ-LLVKDONJSA-N 1 0 388.331 1.975 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000458772659 531992583 /nfs/dbraw/zinc/99/25/83/531992583.db2.gz ZZLSKYQSCVVGMW-AAEUAGOBSA-N 1 0 390.297 1.989 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000419985316 531992643 /nfs/dbraw/zinc/99/26/43/531992643.db2.gz AUALZSOGNJOLTK-LBPRGKRZSA-N 1 0 397.317 1.706 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000419984103 531992888 /nfs/dbraw/zinc/99/28/88/531992888.db2.gz CVODPRATEDSMER-WFASDCNBSA-N 1 0 397.317 1.706 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N(CCOC)Cc1cc(Br)cs1 ZINC000419878086 531980535 /nfs/dbraw/zinc/98/05/35/531980535.db2.gz RSAPNYIPFKCQBX-UHFFFAOYSA-N 1 0 392.319 1.211 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419878744 531980934 /nfs/dbraw/zinc/98/09/34/531980934.db2.gz YXLCENNINAXJDJ-AWEZNQCLSA-N 1 0 384.274 1.140 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419885525 531981046 /nfs/dbraw/zinc/98/10/46/531981046.db2.gz HITGHTDDSHIKBX-UHFFFAOYSA-N 1 0 382.302 1.881 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419887492 531981956 /nfs/dbraw/zinc/98/19/56/531981956.db2.gz QLNJSEBOHIUOHT-CHWSQXEVSA-N 1 0 380.286 1.591 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419892634 531982093 /nfs/dbraw/zinc/98/20/93/531982093.db2.gz JMUNALGKXMNIGF-CHWSQXEVSA-N 1 0 398.301 1.802 20 0 GDADRO C[C@H](CC[NH3+])NS(=O)(=O)c1ccc(Cl)cc1I ZINC000573369680 531982152 /nfs/dbraw/zinc/98/21/52/531982152.db2.gz MNBIPJRHDJCJQB-SSDOTTSWSA-N 1 0 388.658 1.960 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000419891711 531982388 /nfs/dbraw/zinc/98/23/88/531982388.db2.gz JZTNLZJYJYNGMO-LBPRGKRZSA-N 1 0 384.274 1.284 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCC[NH2+]C1 ZINC000419904789 531983631 /nfs/dbraw/zinc/98/36/31/531983631.db2.gz VRDLWNZZUSBBAV-GHMZBOCLSA-N 1 0 388.331 1.973 20 0 GDADRO O[C@H](C[NH2+]C[C@H](O)[C@@H]1CCCO1)COc1ccc(Cl)cc1Br ZINC000629590097 531985034 /nfs/dbraw/zinc/98/50/34/531985034.db2.gz LAPSRQZUBLBULC-ZLDLUXBVSA-N 1 0 394.693 1.972 20 0 GDADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000419925863 531986439 /nfs/dbraw/zinc/98/64/39/531986439.db2.gz UANPOHCLPCIYJQ-CYBMUJFWSA-N 1 0 388.295 1.430 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)NCC[C@H]1CCC[NH2+]1)CC2 ZINC000419932746 531988336 /nfs/dbraw/zinc/98/83/36/531988336.db2.gz GARWPDVSIDSYBK-OAHLLOKOSA-N 1 0 394.313 1.901 20 0 GDADRO CCOC(=O)c1c(NC(=O)NCC[C@H](C)[NH3+])sc2c1CCS(=O)(=O)C2 ZINC000598681042 531990749 /nfs/dbraw/zinc/99/07/49/531990749.db2.gz JWUBODYIFOFWGE-VIFPVBQESA-N 1 0 389.499 1.255 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000419962574 531991400 /nfs/dbraw/zinc/99/14/00/531991400.db2.gz VIBRPMXJLYBBGR-QWRGUYRKSA-N 1 0 376.284 1.930 20 0 GDADRO C[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000574613491 531996843 /nfs/dbraw/zinc/99/68/43/531996843.db2.gz YQEOPPSPZKTOAN-CABCVRRESA-N 1 0 388.555 1.879 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000420013483 531995276 /nfs/dbraw/zinc/99/52/76/531995276.db2.gz JVCDGYONEBCFTK-AWEZNQCLSA-N 1 0 386.265 1.572 20 0 GDADRO COC[C@H](O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000574876623 531999536 /nfs/dbraw/zinc/99/95/36/531999536.db2.gz COXYLNHFHNUPSY-NEPJUHHUSA-N 1 0 382.682 1.829 20 0 GDADRO CSc1ccc([C@@H](CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)[NH+](C)C)cc1 ZINC000458905166 531999730 /nfs/dbraw/zinc/99/97/30/531999730.db2.gz VALMXQYAWOMJOJ-HUUCEWRRSA-N 1 0 386.543 1.084 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000420043553 531999880 /nfs/dbraw/zinc/99/98/80/531999880.db2.gz ORDDDELHKMEQSM-OAHLLOKOSA-N 1 0 377.894 1.144 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000420045000 531998806 /nfs/dbraw/zinc/99/88/06/531998806.db2.gz QKVAWTBGSAUGLY-HZMBPMFUSA-N 1 0 386.265 1.790 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420054360 531998902 /nfs/dbraw/zinc/99/89/02/531998902.db2.gz YDEXKRPBSKVAEQ-PVXIVEMSSA-N 1 0 394.313 1.966 20 0 GDADRO COC[C@@H](O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000574876626 531998905 /nfs/dbraw/zinc/99/89/05/531998905.db2.gz COXYLNHFHNUPSY-RYUDHWBXSA-N 1 0 382.682 1.829 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420100872 532002643 /nfs/dbraw/zinc/00/26/43/532002643.db2.gz KVWCZPZSYRGYPV-SFHVURJKSA-N 1 0 396.329 1.956 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000420082053 532000834 /nfs/dbraw/zinc/00/08/34/532000834.db2.gz PONIYPDIMAYVQW-UHFFFAOYSA-N 1 0 398.301 1.804 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000420121131 532003963 /nfs/dbraw/zinc/00/39/63/532003963.db2.gz KHNWXFXABZXBQL-LBPRGKRZSA-N 1 0 397.317 1.576 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CCC1 ZINC000420120565 532004129 /nfs/dbraw/zinc/00/41/29/532004129.db2.gz JUHCBNXRDWDTFO-CQSZACIVSA-N 1 0 396.285 1.347 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000631780216 532004985 /nfs/dbraw/zinc/00/49/85/532004985.db2.gz SGEGARSHRMAGPO-GFCCVEGCSA-N 1 0 376.404 1.880 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420132297 532004849 /nfs/dbraw/zinc/00/48/49/532004849.db2.gz SLNDFAISHKKBCO-SWLSCSKDSA-N 1 0 382.302 1.912 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000420133109 532004878 /nfs/dbraw/zinc/00/48/78/532004878.db2.gz YVOZUKPBADVTFB-SECBINFHSA-N 1 0 377.329 1.963 20 0 GDADRO Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000657387654 532005451 /nfs/dbraw/zinc/00/54/51/532005451.db2.gz SFPUDRKDGSXQPB-BLLLJJGKSA-N 1 0 381.274 1.963 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000420135739 532005814 /nfs/dbraw/zinc/00/58/14/532005814.db2.gz VOHAKXIYACAMOK-XHDPSFHLSA-N 1 0 398.301 1.530 20 0 GDADRO COc1ccc(Cl)cc1N1CC[C@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631883142 532006289 /nfs/dbraw/zinc/00/62/89/532006289.db2.gz WWRVJOGCSHHJLW-AWEZNQCLSA-N 1 0 375.922 1.798 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2cncc(Br)c2C)CC1 ZINC000657354799 532004961 /nfs/dbraw/zinc/00/49/61/532004961.db2.gz ZYFYBHPZQNNMIB-UHFFFAOYSA-N 1 0 383.290 1.323 20 0 GDADRO COc1cc(Br)c(CNS(=O)(=O)CCC[NH+](C)C)cc1OC ZINC000631888288 532007513 /nfs/dbraw/zinc/00/75/13/532007513.db2.gz XVFIJCIPYIGOHX-UHFFFAOYSA-N 1 0 395.319 1.837 20 0 GDADRO Brc1ccccc1-n1nnnc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888600 532007755 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COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1OC ZINC000420444326 532012405 /nfs/dbraw/zinc/01/24/05/532012405.db2.gz CKIPGYFELQMNRK-GXFFZTMASA-N 1 0 388.873 1.508 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)c1OC ZINC000420444325 532012680 /nfs/dbraw/zinc/01/26/80/532012680.db2.gz CIYJSJHAGJMHDA-LBPRGKRZSA-N 1 0 377.894 1.360 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C1 ZINC000420446583 532012819 /nfs/dbraw/zinc/01/28/19/532012819.db2.gz HNMWGFVBRCNBJL-JQWIXIFHSA-N 1 0 379.404 1.384 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000420421782 532012869 /nfs/dbraw/zinc/01/28/69/532012869.db2.gz FVCXCHDAEAAQOF-ZANVPECISA-N 1 0 391.287 1.736 20 0 GDADRO CN1CCO[C@@H]([C@H](NS(=O)(=O)CCC[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000632164777 532015131 /nfs/dbraw/zinc/01/51/31/532015131.db2.gz WGJIYOLQNGAJKM-IAGOWNOFSA-N 1 0 389.949 1.583 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)NCCOC)cc2)[C@H]1SC 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ZINC000576518004 532024905 /nfs/dbraw/zinc/02/49/05/532024905.db2.gz SNEUPLQIWCISLD-GFCCVEGCSA-N 1 0 387.221 1.406 20 0 GDADRO [NH3+]CCOCC(=O)Nc1ccc(Br)c(I)c1 ZINC000300764516 532025551 /nfs/dbraw/zinc/02/55/51/532025551.db2.gz PIZYVRNSXJZXQR-UHFFFAOYSA-N 1 0 399.026 1.968 20 0 GDADRO CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000576521858 532024646 /nfs/dbraw/zinc/02/46/46/532024646.db2.gz YQEOGUODEAPPRT-KGLIPLIRSA-N 1 0 396.285 1.599 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000271552731 532026250 /nfs/dbraw/zinc/02/62/50/532026250.db2.gz KIMOISUKPFPMFQ-LLVKDONJSA-N 1 0 399.289 1.077 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c1F ZINC000599325117 532028738 /nfs/dbraw/zinc/02/87/38/532028738.db2.gz FYVUQUGUUHLKTP-LLVKDONJSA-N 1 0 376.425 1.762 20 0 GDADRO C[N@@H+]1C[C@@H]2CCCN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)[C@@H]2C1 ZINC000577057557 532032031 /nfs/dbraw/zinc/03/20/31/532032031.db2.gz XVDZDWNUGSXHHE-BLLLJJGKSA-N 1 0 385.917 1.708 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000271643225 532034634 /nfs/dbraw/zinc/03/46/34/532034634.db2.gz LJWRCHPYSGQOFQ-RNCFNFMXSA-N 1 0 381.274 1.690 20 0 GDADRO CO[C@H](CC(C)C)CS(=O)(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000420665019 532035494 /nfs/dbraw/zinc/03/54/94/532035494.db2.gz ARVRCMRHWJMOSH-RCCFBDPRSA-N 1 0 375.579 1.335 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cccnc2Br)CCSC1 ZINC000271667269 532037274 /nfs/dbraw/zinc/03/72/74/532037274.db2.gz PJYQUURTOFVMKQ-AWEZNQCLSA-N 1 0 387.303 1.336 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000271657435 532036488 /nfs/dbraw/zinc/03/64/88/532036488.db2.gz CQHIBTFSYGNRKA-CYBMUJFWSA-N 1 0 392.518 1.392 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)cc1Br ZINC000271677527 532040287 /nfs/dbraw/zinc/04/02/87/532040287.db2.gz BXZUWCXVKSUCDA-SNVBAGLBSA-N 1 0 393.303 1.839 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)c2nccn2c1 ZINC000632833405 532040860 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C[N@H+]1CC=C(CNC(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000271897018 532062095 /nfs/dbraw/zinc/06/20/95/532062095.db2.gz PJACGMGLSAPXDE-UHFFFAOYSA-N 1 0 380.246 1.674 20 0 GDADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000373070468 532062506 /nfs/dbraw/zinc/06/25/06/532062506.db2.gz OBTVGDRPXBOUAY-NWDGAFQWSA-N 1 0 396.285 1.773 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000579709761 532064313 /nfs/dbraw/zinc/06/43/13/532064313.db2.gz FWHHVAYFHUZUAQ-LLVKDONJSA-N 1 0 377.869 1.096 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)n1 ZINC000373139256 532065023 /nfs/dbraw/zinc/06/50/23/532065023.db2.gz KHAIJTMHEUUZHT-NEPJUHHUSA-N 1 0 381.274 1.834 20 0 GDADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000468483133 532067670 /nfs/dbraw/zinc/06/76/70/532067670.db2.gz ISIFZHHGYFZTMG-HNNXBMFYSA-N 1 0 387.571 1.690 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000321521956 532068480 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C[C@H](C[C@@H]1COCCN1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423103869 532072423 /nfs/dbraw/zinc/07/24/23/532072423.db2.gz LOMOXRKLEIBNBI-VXGBXAGGSA-N 1 0 396.340 1.628 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCCN[C@@H](C)C2C[NH2+]C2)c1 ZINC000423108354 532072777 /nfs/dbraw/zinc/07/27/77/532072777.db2.gz LYLFRZGFGVLSKK-NSHDSACASA-N 1 0 376.320 1.233 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000580368630 532072894 /nfs/dbraw/zinc/07/28/94/532072894.db2.gz XVVXLZQGJHLYPL-KBPBESRZSA-N 1 0 387.933 1.855 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000423494552 532075740 /nfs/dbraw/zinc/07/57/40/532075740.db2.gz AUXINAVKLFUSKS-XHDPSFHLSA-N 1 0 398.301 1.612 20 0 GDADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1I ZINC000602332127 532074867 /nfs/dbraw/zinc/07/48/67/532074867.db2.gz JJJLKYFUWLNMED-MNOVXSKESA-N 1 0 388.253 1.724 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)C[C@@H]1C[NH3+] ZINC000423488752 532075281 /nfs/dbraw/zinc/07/52/81/532075281.db2.gz VQPKIRPBYSNMEG-ZJUUUORDSA-N 1 0 378.420 1.564 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000423223475 532074075 /nfs/dbraw/zinc/07/40/75/532074075.db2.gz ACZIVZBJDSOKBA-ZDUSSCGKSA-N 1 0 394.313 1.921 20 0 GDADRO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423207962 532074167 /nfs/dbraw/zinc/07/41/67/532074167.db2.gz HKSCQYSCRLCBJW-WDEREUQCSA-N 1 0 376.320 1.747 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C[C@H]1[NH3+] ZINC000423204642 532074316 /nfs/dbraw/zinc/07/43/16/532074316.db2.gz OFHWBMVASOCGJW-KCPJHIHWSA-N 1 0 396.285 1.155 20 0 GDADRO O=C1C[C@H]([NH2+]Cc2cscc2C(F)(F)F)CN1CCN1CCOCC1 ZINC000581221055 532077763 /nfs/dbraw/zinc/07/77/63/532077763.db2.gz VNRSHSJYFSHEMN-ZDUSSCGKSA-N 1 0 377.432 1.790 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602446940 532077783 /nfs/dbraw/zinc/07/77/83/532077783.db2.gz HBZZMXRWEWBQQV-IPQOISQHSA-N 1 0 387.343 1.997 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)CC[NH2+]1 ZINC000423477595 532075898 /nfs/dbraw/zinc/07/58/98/532075898.db2.gz MJUSAKYPQJEROS-NEPJUHHUSA-N 1 0 380.286 1.715 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000423497043 532076465 /nfs/dbraw/zinc/07/64/65/532076465.db2.gz FWPSBJBWDCQTRS-VXGBXAGGSA-N 1 0 398.301 1.612 20 0 GDADRO C[S@](=O)C1(C(=O)NCc2ccncc2OCC(F)(F)F)CC[NH2+]CC1 ZINC000602504927 532078574 /nfs/dbraw/zinc/07/85/74/532078574.db2.gz XEIDVPZULNIAEL-VWLOTQADSA-N 1 0 379.404 1.140 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000423498258 532076717 /nfs/dbraw/zinc/07/67/17/532076717.db2.gz HVRWYYZPWSYTDD-LBPRGKRZSA-N 1 0 384.274 1.366 20 0 GDADRO CCN(CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O ZINC000326446289 532076737 /nfs/dbraw/zinc/07/67/37/532076737.db2.gz CABUGXNGEFELJW-AWEZNQCLSA-N 1 0 391.559 1.259 20 0 GDADRO COC(=O)c1sc2c(c1Br)CN(C(=O)c1cnc(C[NH3+])nc1)C2 ZINC000602536531 532080500 /nfs/dbraw/zinc/08/05/00/532080500.db2.gz UMAPJZJLHXJCHI-UHFFFAOYSA-N 1 0 397.254 1.702 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cc(F)cc(Br)c3)[C@@H]2C1 ZINC000285395574 532078728 /nfs/dbraw/zinc/07/87/28/532078728.db2.gz IHIPFONRXLHLOT-SWLSCSKDSA-N 1 0 398.276 1.757 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000581400224 532079827 /nfs/dbraw/zinc/07/98/27/532079827.db2.gz CHPVZVYAGSIJLN-LLVKDONJSA-N 1 0 394.324 1.824 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000373442381 532081337 /nfs/dbraw/zinc/08/13/37/532081337.db2.gz UNNPIWTXXYVQGI-RDTXWAMCSA-N 1 0 394.313 1.913 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C[NH3+])C2CCCC2)s1 ZINC000423937397 532081441 /nfs/dbraw/zinc/08/14/41/532081441.db2.gz GPYBPLZGZSZHMR-HUUCEWRRSA-N 1 0 385.555 1.843 20 0 GDADRO COC(=O)CCNC(=O)CC[NH2+]Cc1ccc(I)s1 ZINC000602725581 532081458 /nfs/dbraw/zinc/08/14/58/532081458.db2.gz RBYJMONKVBVWJG-UHFFFAOYSA-N 1 0 396.250 1.512 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(I)s1 ZINC000602706738 532081986 /nfs/dbraw/zinc/08/19/86/532081986.db2.gz DVEPLLYFIZHANH-UHFFFAOYSA-N 1 0 395.310 1.805 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(Br)c(=O)[nH]c2C)CC1 ZINC000285440331 532083278 /nfs/dbraw/zinc/08/32/78/532083278.db2.gz FRNKCPOPGQMOLW-GFCCVEGCSA-N 1 0 399.333 1.862 20 0 GDADRO O=C(NCc1sccc1Br)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000285455743 532086135 /nfs/dbraw/zinc/08/61/35/532086135.db2.gz ZQIHVWNOAICZBV-JTQLQIEISA-N 1 0 386.315 1.727 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)CC[C@H]2CCCCO2)CC1 ZINC000603274125 532086570 /nfs/dbraw/zinc/08/65/70/532086570.db2.gz RMMHLCQAIPEELS-MRXNPFEDSA-N 1 0 376.519 1.140 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1Br ZINC000272270070 532088620 /nfs/dbraw/zinc/08/86/20/532088620.db2.gz BCHZRWDFJQGPNS-RISCZKNCSA-N 1 0 396.285 1.949 20 0 GDADRO Cn1cc([C@@H]2CN(S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000424393968 532091142 /nfs/dbraw/zinc/09/11/42/532091142.db2.gz SMAVXNXYENHFDM-LSDHHAIUSA-N 1 0 389.308 1.983 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)C1 ZINC000272333255 532092196 /nfs/dbraw/zinc/09/21/96/532092196.db2.gz VWEABCCNHCZSEO-NWDGAFQWSA-N 1 0 389.568 1.295 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000603469576 532092961 /nfs/dbraw/zinc/09/29/61/532092961.db2.gz WVKZFIBVYCUFDX-CYBMUJFWSA-N 1 0 385.306 1.751 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000328996131 532095071 /nfs/dbraw/zinc/09/50/71/532095071.db2.gz UKQMNSOOFQDQCW-HNNXBMFYSA-N 1 0 385.555 1.846 20 0 GDADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000285566611 532095154 /nfs/dbraw/zinc/09/51/54/532095154.db2.gz ABDJATRHENBPEZ-KGLIPLIRSA-N 1 0 385.555 1.539 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)[C@H]2C1 ZINC000272432827 532098545 /nfs/dbraw/zinc/09/85/45/532098545.db2.gz JNGJZDTURZEWGI-ZFWWWQNUSA-N 1 0 385.917 1.561 20 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JVEPOTIUISGXSD-UHFFFAOYSA-N 1 0 386.290 1.102 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000272763797 532112893 /nfs/dbraw/zinc/11/28/93/532112893.db2.gz WDWJZBKPWSGYRM-SECBINFHSA-N 1 0 386.246 1.241 20 0 GDADRO CCCC[N@H+](CCc1c(C)nc2sccn2c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000285788373 532113083 /nfs/dbraw/zinc/11/30/83/532113083.db2.gz XSCMAEHELRNBIY-CQSZACIVSA-N 1 0 383.539 1.896 20 0 GDADRO CCC[C@@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)s2)CC[N@@H+]1CCOC ZINC000425426745 532138533 /nfs/dbraw/zinc/13/85/33/532138533.db2.gz WNLGWNMZSIOIQK-OAHLLOKOSA-N 1 0 389.587 1.931 20 0 GDADRO [NH3+]CC[C@H]1CCCCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000286256409 532138661 /nfs/dbraw/zinc/13/86/61/532138661.db2.gz VJRWXPKWEYEKIP-CYBMUJFWSA-N 1 0 396.285 1.904 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000331184153 532139716 /nfs/dbraw/zinc/13/97/16/532139716.db2.gz MTRGIHBXJOUPCA-OAGGEKHMSA-N 1 0 385.917 1.895 20 0 GDADRO COC(=O)C1CCN(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000330494050 532125140 /nfs/dbraw/zinc/12/51/40/532125140.db2.gz NRSWUPGVYRPBBK-HUUCEWRRSA-N 1 0 375.535 1.074 20 0 GDADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)NC[C@@H]1CC[NH2+]C1 ZINC000272972312 532126516 /nfs/dbraw/zinc/12/65/16/532126516.db2.gz BUUIDOKUIVDGAJ-LLVKDONJSA-N 1 0 379.258 1.275 20 0 GDADRO C[C@@]1(CNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)CCC[NH2+]C1 ZINC000273033149 532129529 /nfs/dbraw/zinc/12/95/29/532129529.db2.gz SQVXYZMNBADRFX-GFCCVEGCSA-N 1 0 396.332 1.278 20 0 GDADRO CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000374597375 532129781 /nfs/dbraw/zinc/12/97/81/532129781.db2.gz SUTANVXRCGFHJM-RRFJBIMHSA-N 1 0 375.535 1.551 20 0 GDADRO COc1cc2[nH+]ccc(NCCS(=O)(=O)N(C)C)c2cc1Br ZINC000425256390 532133064 /nfs/dbraw/zinc/13/30/64/532133064.db2.gz BJELIORGNZYRFC-UHFFFAOYSA-N 1 0 388.287 1.731 20 0 GDADRO O=C(NC[C@@H](O)c1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000374711885 532133469 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CS[C@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000273539745 532155371 /nfs/dbraw/zinc/15/53/71/532155371.db2.gz SVTJEKGPXMHZTP-NEPJUHHUSA-N 1 0 375.541 1.047 20 0 GDADRO COc1cc(C)c(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000331230117 532141098 /nfs/dbraw/zinc/14/10/98/532141098.db2.gz ZZIBZAKQKDGEKL-CYBMUJFWSA-N 1 0 389.949 1.819 20 0 GDADRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1c1ccc(Br)cc1 ZINC000425506047 532141254 /nfs/dbraw/zinc/14/12/54/532141254.db2.gz COLXOYQILITVRM-ZNMIVQPWSA-N 1 0 381.270 1.868 20 0 GDADRO C[NH+](C)C[C@H]1CCCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000332124560 532165154 /nfs/dbraw/zinc/16/51/54/532165154.db2.gz FLLIAAQCHHCAGO-CYBMUJFWSA-N 1 0 393.285 1.712 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N3CC[C@H]([NH3+])C3)C2=O)ccc1Br ZINC000332136767 532166286 /nfs/dbraw/zinc/16/62/86/532166286.db2.gz MBAJCGQNJPOJMM-FZMZJTMJSA-N 1 0 381.274 1.605 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000332150728 532167084 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Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000332038463 532161400 /nfs/dbraw/zinc/16/14/00/532161400.db2.gz KBBSWSOTYVCATN-FZMZJTMJSA-N 1 0 381.274 1.644 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC(c3cccc(Br)c3)CC2)C1 ZINC000332098363 532163491 /nfs/dbraw/zinc/16/34/91/532163491.db2.gz BFWVCCAOADHMEJ-HNNXBMFYSA-N 1 0 380.286 1.715 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000332113053 532164663 /nfs/dbraw/zinc/16/46/63/532164663.db2.gz CNYDFMJMCHGCKU-MFKMUULPSA-N 1 0 382.258 1.209 20 0 GDADRO CSC1(CNC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)CC[NH+](C)CC1 ZINC000427214399 532178398 /nfs/dbraw/zinc/17/83/98/532178398.db2.gz ZIXAWIYCTOTTEL-UHFFFAOYSA-N 1 0 388.559 1.259 20 0 GDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N(CCO)Cc1cc(Br)cs1 ZINC000427542733 532185143 /nfs/dbraw/zinc/18/51/43/532185143.db2.gz ZQODCLKILBCOKL-CQSZACIVSA-N 1 0 388.331 1.221 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C2(C[NH+](C)C)CCCCC2)s1 ZINC000427045528 532174752 /nfs/dbraw/zinc/17/47/52/532174752.db2.gz MEASIZKISYSXEZ-UHFFFAOYSA-N 1 0 387.571 1.963 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000332511121 532191851 /nfs/dbraw/zinc/19/18/51/532191851.db2.gz UXFFLJQMEKUZJW-WDEREUQCSA-N 1 0 398.276 1.859 20 0 GDADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000427932212 532194166 /nfs/dbraw/zinc/19/41/66/532194166.db2.gz NOAZFDWQOCHVPA-QMMMGPOBSA-N 1 0 391.291 1.827 20 0 GDADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@]2(COC)CCC[NH2+]2)c1 ZINC000427959015 532195228 /nfs/dbraw/zinc/19/52/28/532195228.db2.gz KTZNWTSNGJDFQJ-INIZCTEOSA-N 1 0 390.889 1.564 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000332568872 532196019 /nfs/dbraw/zinc/19/60/19/532196019.db2.gz ARJOSTGTJYRTAI-LBPRGKRZSA-N 1 0 394.313 1.920 20 0 GDADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376156860 532197220 /nfs/dbraw/zinc/19/72/20/532197220.db2.gz PAYZPWXDPUASPR-MRVPVSSYSA-N 1 0 385.358 1.050 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000427599339 532187127 /nfs/dbraw/zinc/18/71/27/532187127.db2.gz OEJOOCCKUUUHKZ-UFBFGSQYSA-N 1 0 384.221 1.895 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)CC[NH2+]1 ZINC000332478151 532188716 /nfs/dbraw/zinc/18/87/16/532188716.db2.gz LQRMHSFQGCJUDP-GXFFZTMASA-N 1 0 398.276 1.730 20 0 GDADRO C[N@H+](CCNC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)C1CC1 ZINC000428584725 532211614 /nfs/dbraw/zinc/21/16/14/532211614.db2.gz PJMXFFDUCANNPF-CQSZACIVSA-N 1 0 384.318 1.994 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)c3cccnc3-n3cc(Br)cn3)C[C@H]2C1 ZINC000333068267 532217364 /nfs/dbraw/zinc/21/73/64/532217364.db2.gz JOMMCARUVYZYAX-TXEJJXNPSA-N 1 0 376.258 1.663 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000274316069 532202281 /nfs/dbraw/zinc/20/22/81/532202281.db2.gz BNUDFRMOWPCCGX-UHFFFAOYSA-N 1 0 375.654 1.646 20 0 GDADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376730861 532227080 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20 0 GDADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cccc3c1OC(F)(F)O3)CCO2 ZINC000333584786 532241383 /nfs/dbraw/zinc/24/13/83/532241383.db2.gz AFGRWBZPRVXRLC-IUODEOHRSA-N 1 0 375.393 1.834 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000287803234 532242157 /nfs/dbraw/zinc/24/21/57/532242157.db2.gz OONFAUQKHBPTDO-UHFFFAOYSA-N 1 0 378.420 1.721 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C[C@H]2CCC[N@@H+]2C)s1 ZINC000333740129 532247514 /nfs/dbraw/zinc/24/75/14/532247514.db2.gz MGFARKPKPQRSTN-CABCVRRESA-N 1 0 385.555 1.762 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000333730428 532247776 /nfs/dbraw/zinc/24/77/76/532247776.db2.gz WAZHUVDQVVLICT-DOMZBBRYSA-N 1 0 395.301 1.631 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000333761703 532248522 /nfs/dbraw/zinc/24/85/22/532248522.db2.gz APGCEVFGEKLZHT-CQDKDKBSSA-N 1 0 380.286 1.837 20 0 GDADRO O=C([C@@H]1SCCc2sccc21)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333755223 532248554 /nfs/dbraw/zinc/24/85/54/532248554.db2.gz NWRAFWPBTAMLOV-CXAGYDPISA-N 1 0 379.551 1.891 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)nc12 ZINC000333863253 532252897 /nfs/dbraw/zinc/25/28/97/532252897.db2.gz ZUUIUIQIYMICOB-TXEJJXNPSA-N 1 0 378.274 1.766 20 0 GDADRO O=S(=O)(C[C@@H]1CCCCC1(F)F)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333868710 532253406 /nfs/dbraw/zinc/25/34/06/532253406.db2.gz RMMNMAFLFJCBMN-FHERZECASA-N 1 0 379.517 1.948 20 0 GDADRO C[C@@H](NC(=O)CN(C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000430624155 532253613 /nfs/dbraw/zinc/25/36/13/532253613.db2.gz IIVCTEHWQYIYNG-GFCCVEGCSA-N 1 0 387.311 1.534 20 0 GDADRO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CS1 ZINC000377015208 532237454 /nfs/dbraw/zinc/23/74/54/532237454.db2.gz WQWSNXIBBMBRQS-JKSUJKDBSA-N 1 0 391.603 1.538 20 0 GDADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000274850421 532237670 /nfs/dbraw/zinc/23/76/70/532237670.db2.gz YFGWSRTYRIBWJY-CYBMUJFWSA-N 1 0 379.258 1.743 20 0 GDADRO CN1c2ccc(C[NH2+]CCS(=O)(=O)N3CCSCC3)cc2CCC1=O ZINC000274850596 532237755 /nfs/dbraw/zinc/23/77/55/532237755.db2.gz XXTZMCCUCXBFNW-UHFFFAOYSA-N 1 0 383.539 1.064 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ncccc3Br)CC2)C1=O ZINC000333477457 532238176 /nfs/dbraw/zinc/23/81/76/532238176.db2.gz OUTCHTMCNCDYAF-ZDUSSCGKSA-N 1 0 381.274 1.269 20 0 GDADRO Cc1csc(S(=O)(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000333478562 532238511 /nfs/dbraw/zinc/23/85/11/532238511.db2.gz XNZHVFRYKPOEPJ-INIZCTEOSA-N 1 0 387.571 1.472 20 0 GDADRO CS[C@H]1CN(C(=O)c2cnc3scc(C)n3c2=O)C[C@H]1[NH+]1CCCC1 ZINC000275150592 532270576 /nfs/dbraw/zinc/27/05/76/532270576.db2.gz RZXYCZMDWJKJSA-KGLIPLIRSA-N 1 0 378.523 1.716 20 0 GDADRO C[C@H]([NH2+]CC1(CO)CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430748354 532255869 /nfs/dbraw/zinc/25/58/69/532255869.db2.gz CXGXKSTZQFHFST-JTQLQIEISA-N 1 0 377.304 1.910 20 0 GDADRO C[C@H]([NH2+]CCc1ncn(C)n1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430731451 532256565 /nfs/dbraw/zinc/25/65/65/532256565.db2.gz LXAKRDGJLXJVQW-VIFPVBQESA-N 1 0 388.291 1.118 20 0 GDADRO C[C@@H]([NH2+]CCCn1ccnn1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430759971 532257129 /nfs/dbraw/zinc/25/71/29/532257129.db2.gz HTFPWFZXEGQVNO-SNVBAGLBSA-N 1 0 388.291 1.429 20 0 GDADRO C[C@@H]1CN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@H](C)[NH2+]1 ZINC000430945288 532258087 /nfs/dbraw/zinc/25/80/87/532258087.db2.gz PXVQYUVDXGCWLQ-BETUJISGSA-N 1 0 386.327 1.719 20 0 GDADRO Cc1cc(S(=O)(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c(C)s1 ZINC000333926750 532258128 /nfs/dbraw/zinc/25/81/28/532258128.db2.gz VSRPXNDGXSGWHJ-UHFFFAOYSA-N 1 0 387.571 1.440 20 0 GDADRO Brc1cnn(Cc2cnc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)s2)c1 ZINC000377470750 532260866 /nfs/dbraw/zinc/26/08/66/532260866.db2.gz UUYHGBBAUAGWOA-CHWSQXEVSA-N 1 0 398.330 2.426 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccsc1 ZINC000334022261 532261738 /nfs/dbraw/zinc/26/17/38/532261738.db2.gz NBHBIZRTMBXVOF-SOUVJXGZSA-N 1 0 388.559 1.510 20 0 GDADRO CS[C@@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000275096268 532264786 /nfs/dbraw/zinc/26/47/86/532264786.db2.gz PWTKBQSZWQTLRK-DLBZAZTESA-N 1 0 385.555 1.224 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1cncc(Br)c1 ZINC000288234832 532274649 /nfs/dbraw/zinc/27/46/49/532274649.db2.gz ABMFFGOXOISCTH-UHFFFAOYSA-N 1 0 393.351 1.348 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000431966864 532276994 /nfs/dbraw/zinc/27/69/94/532276994.db2.gz XEPRKBPYYLJTNQ-AAEUAGOBSA-N 1 0 386.294 1.710 20 0 GDADRO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ncc(Br)cn1 ZINC000431979745 532277007 /nfs/dbraw/zinc/27/70/07/532277007.db2.gz FTRZOCGYIVUXQK-NSHDSACASA-N 1 0 386.294 1.710 20 0 GDADRO CS[C@@H]1CN(C(=O)CSc2nnc3ccccn32)C[C@@H]1[NH+]1CCCC1 ZINC000275233507 532279458 /nfs/dbraw/zinc/27/94/58/532279458.db2.gz FOQKSUVHFZMCLB-UONOGXRCSA-N 1 0 377.539 1.860 20 0 GDADRO CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC000432203396 532280465 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C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000288534024 532295605 /nfs/dbraw/zinc/29/56/05/532295605.db2.gz HMCCWVIZIVJUKD-VXGBXAGGSA-N 1 0 391.946 1.623 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000275490781 532297281 /nfs/dbraw/zinc/29/72/81/532297281.db2.gz AWLLPFDGHSWULH-DZKIICNBSA-N 1 0 385.555 1.473 20 0 GDADRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc(Cl)ccc3-n3cnnn3)sc2C1 ZINC000288590033 532298201 /nfs/dbraw/zinc/29/82/01/532298201.db2.gz JLWFASLXEBEPSI-VIFPVBQESA-N 1 0 375.845 1.841 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000391789519 532298643 /nfs/dbraw/zinc/29/86/43/532298643.db2.gz AAPJORMXFRQNOU-INIZCTEOSA-N 1 0 376.906 1.231 20 0 GDADRO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)cc(OC)c1OCC(F)F ZINC000288623907 532299729 /nfs/dbraw/zinc/29/97/29/532299729.db2.gz RZGQGJNCGZFMDK-CMPLNLGQSA-N 1 0 379.425 1.870 20 0 GDADRO NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000393090305 532300922 /nfs/dbraw/zinc/30/09/22/532300922.db2.gz RTDKEYLRALJEGQ-INIZCTEOSA-N 1 0 383.495 1.093 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)C1 ZINC000275602286 532301924 /nfs/dbraw/zinc/30/19/24/532301924.db2.gz HEHWZVDPWSERRX-NEPJUHHUSA-N 1 0 389.568 1.485 20 0 GDADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2nc3cc(Br)cnc3[nH]2)C1(C)C ZINC000275610457 532302703 /nfs/dbraw/zinc/30/27/03/532302703.db2.gz HEUIECXTSSZAKV-BDJLRTHQSA-N 1 0 396.289 1.869 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000400314943 532304815 /nfs/dbraw/zinc/30/48/15/532304815.db2.gz ZIDVGFYORLFJKL-STQMWFEESA-N 1 0 397.324 1.747 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000288449901 532290947 /nfs/dbraw/zinc/29/09/47/532290947.db2.gz VCLQTMLDZGKIIJ-OAHLLOKOSA-N 1 0 388.555 1.833 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000276246391 532324436 /nfs/dbraw/zinc/32/44/36/532324436.db2.gz QFNZXYPLICTORM-OCCSQVGLSA-N 1 0 389.543 1.607 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)c(C)s1 ZINC000288826416 532308783 /nfs/dbraw/zinc/30/87/83/532308783.db2.gz UPJZCOLJAFFKGF-UKRRQHHQSA-N 1 0 385.555 1.586 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000288824188 532308973 /nfs/dbraw/zinc/30/89/73/532308973.db2.gz GTABNQVBOITDKD-XJKSGUPXSA-N 1 0 389.327 1.962 20 0 GDADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ncnc2c1c(Br)nn2C ZINC000275831756 532311578 /nfs/dbraw/zinc/31/15/78/532311578.db2.gz OFXRRYOLENQCPP-SNVBAGLBSA-N 1 0 383.294 1.407 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000276297700 532326092 /nfs/dbraw/zinc/32/60/92/532326092.db2.gz SHBRKMDTBKFNCL-UHFFFAOYSA-N 1 0 389.905 1.482 20 0 GDADRO O=C(CCOc1ccccc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289187236 532317709 /nfs/dbraw/zinc/31/77/09/532317709.db2.gz ISYRIEXKULIQSD-AWEZNQCLSA-N 1 0 382.302 1.724 20 0 GDADRO O[C@@H](CNCc1cn(-c2ccccc2Br)nn1)C[NH+]1CCCC1 ZINC000290004569 532335158 /nfs/dbraw/zinc/33/51/58/532335158.db2.gz UBABPYZQUHAGPF-AWEZNQCLSA-N 1 0 380.290 1.576 20 0 GDADRO Cc1c(C(=O)NC[C@H](C)Cn2cccn2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000359901881 206269240 /nfs/dbraw/zinc/26/92/40/206269240.db2.gz DJDCODYOVVGXEY-HNNXBMFYSA-N 1 0 393.495 1.826 20 0 GDADRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1F ZINC000359995261 206277085 /nfs/dbraw/zinc/27/70/85/206277085.db2.gz OHNCYYRXQRWPTP-SFHVURJKSA-N 1 0 385.505 1.908 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000021932975 207243629 /nfs/dbraw/zinc/24/36/29/207243629.db2.gz OVDKOLDWTHWDDQ-KRWDZBQOSA-N 1 0 378.904 1.447 20 0 GDADRO CC1CC[NH+](CCCNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000045122410 207650662 /nfs/dbraw/zinc/65/06/62/207650662.db2.gz VHSUOJBWMDXMDH-UHFFFAOYSA-N 1 0 378.521 1.192 20 0 GDADRO C[C@H]([NH2+]C1(CNc2nccnc2-c2nn[nH]n2)CCOCC1)c1ccccc1 ZINC000736134966 598831417 /nfs/dbraw/zinc/83/14/17/598831417.db2.gz XDPQDRGHVIXYRH-AWEZNQCLSA-N 1 0 380.456 1.969 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000737521772 598852583 /nfs/dbraw/zinc/85/25/83/598852583.db2.gz BWZNGYGTBYCEQC-MRXNPFEDSA-N 1 0 391.443 1.147 20 0 GDADRO C[NH+](C)C1(CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCOCC1 ZINC000736757729 598861103 /nfs/dbraw/zinc/86/11/03/598861103.db2.gz XIYDLLMBIWHHMR-UHFFFAOYSA-N 1 0 395.920 1.917 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)C[NH+]1CCCCC1 ZINC000736025191 598870385 /nfs/dbraw/zinc/87/03/85/598870385.db2.gz DZNWNCULFOJTDG-GFCCVEGCSA-N 1 0 382.465 1.406 20 0 GDADRO COC[C@H](CCO)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736975729 598887213 /nfs/dbraw/zinc/88/72/13/598887213.db2.gz BVSFJNCRJXLZFR-SFHVURJKSA-N 1 0 383.452 1.933 20 0 GDADRO CN(C)C(=O)CCCC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736767140 598894570 /nfs/dbraw/zinc/89/45/70/598894570.db2.gz LZYWZQLUWSPNKD-UHFFFAOYSA-N 1 0 387.488 1.015 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1csc2cncn21 ZINC000736768161 598905537 /nfs/dbraw/zinc/90/55/37/598905537.db2.gz WMZKTDZQPLLTEP-UHFFFAOYSA-N 1 0 396.480 1.780 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000736819191 598973592 /nfs/dbraw/zinc/97/35/92/598973592.db2.gz ADQKFQBOPXEGCQ-GOSISDBHSA-N 1 0 399.499 1.652 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000736481822 599001450 /nfs/dbraw/zinc/00/14/50/599001450.db2.gz ZEEYEZKBZCHNGK-UHFFFAOYSA-N 1 0 378.502 1.575 20 0 GDADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)nc2)cc1 ZINC000736768242 599029645 /nfs/dbraw/zinc/02/96/45/599029645.db2.gz ZEOVOHGGAJMFQU-UHFFFAOYSA-N 1 0 381.440 1.522 20 0 GDADRO CCOCC[N@@H+]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736623108 599053364 /nfs/dbraw/zinc/05/33/64/599053364.db2.gz AGDFDXUYACRPHO-NSHDSACASA-N 1 0 385.394 1.828 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000737741320 599068834 /nfs/dbraw/zinc/06/88/34/599068834.db2.gz WNRSUUFYPKNTES-IBGZPJMESA-N 1 0 391.479 1.253 20 0 GDADRO NC(=O)[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729894 599091513 /nfs/dbraw/zinc/09/15/13/599091513.db2.gz FTCICQJSGCYIRG-GOSISDBHSA-N 1 0 392.463 1.731 20 0 GDADRO NC(=O)[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729895 599091789 /nfs/dbraw/zinc/09/17/89/599091789.db2.gz FTCICQJSGCYIRG-SFHVURJKSA-N 1 0 392.463 1.731 20 0 GDADRO NC(=O)[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730156 599100393 /nfs/dbraw/zinc/10/03/93/599100393.db2.gz HNTYECNSYIBXEY-WMZOPIPTSA-N 1 0 377.452 1.652 20 0 GDADRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000737090082 599102229 /nfs/dbraw/zinc/10/22/29/599102229.db2.gz ANOORTJBQFREEU-GOSISDBHSA-N 1 0 378.436 1.766 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736231646 599106066 /nfs/dbraw/zinc/10/60/66/599106066.db2.gz BTWQRVLRISIYAD-KOLCDFICSA-N 1 0 377.836 1.058 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000821180515 599204199 /nfs/dbraw/zinc/20/41/99/599204199.db2.gz DOJCDMKANZBMCS-AWEZNQCLSA-N 1 0 388.472 1.444 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000737023879 599226850 /nfs/dbraw/zinc/22/68/50/599226850.db2.gz HTQAIAMRLFLTMD-ZFWWWQNUSA-N 1 0 386.456 1.339 20 0 GDADRO C[C@H]1C[NH+](CCCCNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)C[C@H](C)O1 ZINC000820761292 607302069 /nfs/dbraw/zinc/30/20/69/607302069.db2.gz WUVOMELVCHBYKN-RYUDHWBXSA-N 1 0 393.879 1.534 20 0 GDADRO C[C@@H]1C[NH+](CCCCNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)C[C@@H](C)O1 ZINC000820761294 607302089 /nfs/dbraw/zinc/30/20/89/607302089.db2.gz WUVOMELVCHBYKN-VXGBXAGGSA-N 1 0 393.879 1.534 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1cccc(-c2nn[nH]n2)c1C ZINC000821189763 607292155 /nfs/dbraw/zinc/29/21/55/607292155.db2.gz SMZKWEXHNHFQAE-UHFFFAOYSA-N 1 0 375.477 1.997 20 0 GDADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821621696 607300966 /nfs/dbraw/zinc/30/09/66/607300966.db2.gz CCVLOAUVXMRDCQ-UHFFFAOYSA-N 1 0 392.895 1.013 20 0 GDADRO C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)C[NH+]1CCN(C)CC1 ZINC000820268768 599278515 /nfs/dbraw/zinc/27/85/15/599278515.db2.gz FBGDYKJAWNYQEX-LBPRGKRZSA-N 1 0 376.440 1.011 20 0 GDADRO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735460051 599290481 /nfs/dbraw/zinc/29/04/81/599290481.db2.gz CKDOVVTYTVVBFD-MRXNPFEDSA-N 1 0 382.428 1.181 20 0 GDADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000736482164 598257192 /nfs/dbraw/zinc/25/71/92/598257192.db2.gz VWWUTSKJZDXRBF-MSOLQXFVSA-N 1 0 399.499 1.652 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736228499 598264925 /nfs/dbraw/zinc/26/49/25/598264925.db2.gz NZZXJXUMBYZTSR-OKILXGFUSA-N 1 0 393.517 1.298 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCSCc2ccccc2-c2nn[nH]n2)C1 ZINC000736756505 598269282 /nfs/dbraw/zinc/26/92/82/598269282.db2.gz KBYPCLDDDMJKFR-OAHLLOKOSA-N 1 0 389.529 1.836 20 0 GDADRO O=C1CN(C[N@H+](C2CC2)C2CCCC2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738302714 598335225 /nfs/dbraw/zinc/33/52/25/598335225.db2.gz MZWUJRQUIQWPKP-UHFFFAOYSA-N 1 0 395.467 1.995 20 0 GDADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000736801906 598340434 /nfs/dbraw/zinc/34/04/34/598340434.db2.gz MOOGIZSQSXAEAB-MRXNPFEDSA-N 1 0 380.456 1.636 20 0 GDADRO CC[C@@H]1CN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000736406818 598344722 /nfs/dbraw/zinc/34/47/22/598344722.db2.gz COXOMJLZYXRWFV-QGZVFWFLSA-N 1 0 387.488 1.238 20 0 GDADRO CC[C@H]1CN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000736411794 598345114 /nfs/dbraw/zinc/34/51/14/598345114.db2.gz SLFXIQWADSEHIT-KRWDZBQOSA-N 1 0 387.488 1.238 20 0 GDADRO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@H]1CC ZINC000736621129 598345357 /nfs/dbraw/zinc/34/53/57/598345357.db2.gz ZZZPYSOROYGRLT-QGZVFWFLSA-N 1 0 387.488 1.238 20 0 GDADRO CN(Cc1ccc(-c2nn[nH]n2)cc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000736816427 598349617 /nfs/dbraw/zinc/34/96/17/598349617.db2.gz GYCLDZDLBCBMDP-UHFFFAOYSA-N 1 0 384.463 1.799 20 0 GDADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000735560740 598351230 /nfs/dbraw/zinc/35/12/30/598351230.db2.gz GRHZXBHLEPOJQQ-ZIAGYGMSSA-N 1 0 381.444 1.197 20 0 GDADRO Cn1cc(CN2CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000737602555 598358336 /nfs/dbraw/zinc/35/83/36/598358336.db2.gz QUSSFOBXMJFQCN-UHFFFAOYSA-N 1 0 382.472 1.187 20 0 GDADRO O=C(CC[NH+]1CCC(Nc2cccnn2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737837339 598364952 /nfs/dbraw/zinc/36/49/52/598364952.db2.gz FNHKIUQWEHDVMN-UHFFFAOYSA-N 1 0 399.484 1.623 20 0 GDADRO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(-c2nn[nH]n2)c1C ZINC000737547340 598369032 /nfs/dbraw/zinc/36/90/32/598369032.db2.gz JYXMNEPHVKKMJO-TZMCWYRMSA-N 1 0 399.459 1.407 20 0 GDADRO C[C@H]1CCC[C@](CNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)([NH+](C)C)C1 ZINC000736254114 598404727 /nfs/dbraw/zinc/40/47/27/598404727.db2.gz XVVPREUHHGHRBS-XOBRGWDASA-N 1 0 399.499 1.223 20 0 GDADRO CCOc1cccc(N2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000736656460 598406401 /nfs/dbraw/zinc/40/64/01/598406401.db2.gz YPGNQIOCELMDJQ-UHFFFAOYSA-N 1 0 395.467 1.861 20 0 GDADRO CC[NH+]1CCC(n2nccc2NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736572563 598453511 /nfs/dbraw/zinc/45/35/11/598453511.db2.gz VHQPZJJLZMHDIX-UHFFFAOYSA-N 1 0 380.456 1.901 20 0 GDADRO c1nc2cc(C[NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)ccc2[nH]1 ZINC000738449575 598467672 /nfs/dbraw/zinc/46/76/72/598467672.db2.gz IXXLNJXCIKZXEG-UHFFFAOYSA-N 1 0 375.440 1.897 20 0 GDADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738104464 598474816 /nfs/dbraw/zinc/47/48/16/598474816.db2.gz ZAEVRTHSYBSBDI-UHFFFAOYSA-N 1 0 393.451 1.148 20 0 GDADRO c1nn2cc(C[NH2+]CC3(c4ccccc4)CCOCC3)cnc2c1-c1nn[nH]n1 ZINC000738428214 598493950 /nfs/dbraw/zinc/49/39/50/598493950.db2.gz MLYMCCPNCHZUAK-UHFFFAOYSA-N 1 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c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCCN1CCc3ccccc3C1)C2 ZINC000738440465 598520645 /nfs/dbraw/zinc/52/06/45/598520645.db2.gz FLDZPGBUDBZPLL-HNNXBMFYSA-N 1 0 393.499 1.143 20 0 GDADRO c1cnn(Cc2ccc(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cc2)c1 ZINC000738447132 598520717 /nfs/dbraw/zinc/52/07/17/598520717.db2.gz FAXLSJSRWMMLGX-MRXNPFEDSA-N 1 0 390.455 1.140 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@H]1CCN(c3ccccc3)C1)C2 ZINC000738434584 598522316 /nfs/dbraw/zinc/52/23/16/598522316.db2.gz FATGLFQYUQFNGI-CABCVRRESA-N 1 0 379.472 1.221 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1ccnc(N3CCCCC3)c1)C2 ZINC000738411241 598523928 /nfs/dbraw/zinc/52/39/28/598523928.db2.gz SSGQIACAHCVICI-OAHLLOKOSA-N 1 0 394.487 1.280 20 0 GDADRO Brc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735368349 598527415 /nfs/dbraw/zinc/52/74/15/598527415.db2.gz KKFODCPCMNSPPV-SNVBAGLBSA-N 1 0 389.261 1.657 20 0 GDADRO CC(C)(C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)OCO2 ZINC000735670244 598527460 /nfs/dbraw/zinc/52/74/60/598527460.db2.gz KGVAYRHNCMFXKF-GFCCVEGCSA-N 1 0 396.455 1.401 20 0 GDADRO CCn1c(C)cc2c1CCC[C@@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736720105 598527779 /nfs/dbraw/zinc/52/77/79/598527779.db2.gz IBBRJCIHXITGST-CJNGLKHVSA-N 1 0 381.488 1.902 20 0 GDADRO CCn1c(C)cc2c1CCC[C@@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736719981 598528171 /nfs/dbraw/zinc/52/81/71/598528171.db2.gz IBBRJCIHXITGST-BBRMVZONSA-N 1 0 381.488 1.902 20 0 GDADRO O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000737791392 598581199 /nfs/dbraw/zinc/58/11/99/598581199.db2.gz KEAUKIFLLRNUNW-IBGZPJMESA-N 1 0 395.511 1.922 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735881018 598597642 /nfs/dbraw/zinc/59/76/42/598597642.db2.gz FQDBAPMKQGDMGS-SFHVURJKSA-N 1 0 383.500 1.778 20 0 GDADRO O=C(CC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)Nc1sccc1-c1nn[nH]n1 ZINC000737842433 598618679 /nfs/dbraw/zinc/61/86/79/598618679.db2.gz BQJABQHGWHXMPL-ONGXEEELSA-N 1 0 390.391 1.644 20 0 GDADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736569853 598624745 /nfs/dbraw/zinc/62/47/45/598624745.db2.gz UWQGSCMMNLVPAM-UHFFFAOYSA-N 1 0 390.467 1.545 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736765631 598635433 /nfs/dbraw/zinc/63/54/33/598635433.db2.gz ZGBUWLJPRIWGSX-INIZCTEOSA-N 1 0 397.414 1.363 20 0 GDADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000736771499 598636991 /nfs/dbraw/zinc/63/69/91/598636991.db2.gz NWVHMGWMTUYAKS-UHFFFAOYSA-N 1 0 397.414 1.322 20 0 GDADRO CN(C(=O)COc1ccccc1-c1nn[nH]n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000736770090 598667781 /nfs/dbraw/zinc/66/77/81/598667781.db2.gz ZKVIQQBXAJZABP-UHFFFAOYSA-N 1 0 396.451 1.849 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(Cl)c21 ZINC000736864612 598679517 /nfs/dbraw/zinc/67/95/17/598679517.db2.gz STSNBDSZZYBVIA-SNVBAGLBSA-N 1 0 390.854 1.287 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736231824 598689556 /nfs/dbraw/zinc/68/95/56/598689556.db2.gz YAWHKMDXCOYHNU-STQMWFEESA-N 1 0 396.492 1.652 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000736267904 598689715 /nfs/dbraw/zinc/68/97/15/598689715.db2.gz QJQPFGJKPSXHKX-RYUDHWBXSA-N 1 0 382.465 1.547 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736863637 598693384 /nfs/dbraw/zinc/69/33/84/598693384.db2.gz MTQLPXPTYBBCMV-UHFFFAOYSA-N 1 0 389.529 1.055 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000737549595 598697196 /nfs/dbraw/zinc/69/71/96/598697196.db2.gz ZJNNGRWBIOHNOQ-AWEZNQCLSA-N 1 0 381.440 1.868 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000737005417 598700498 /nfs/dbraw/zinc/70/04/98/598700498.db2.gz AXPFNXGPBWYZMQ-CQSZACIVSA-N 1 0 376.486 1.186 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CCC[C@H]([NH+](C)C)C1 ZINC000735571193 598703290 /nfs/dbraw/zinc/70/32/90/598703290.db2.gz ULDHUIADSZRHKX-RYUDHWBXSA-N 1 0 389.529 1.770 20 0 GDADRO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000819857809 607363380 /nfs/dbraw/zinc/36/33/80/607363380.db2.gz VNSNZOVQDCAUOT-MRXNPFEDSA-N 1 0 383.500 1.780 20 0 GDADRO C[NH+]1CCC(CCNC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736848340 598727475 /nfs/dbraw/zinc/72/74/75/598727475.db2.gz LPRZMKVKLOGMJW-UHFFFAOYSA-N 1 0 398.515 1.430 20 0 GDADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736403866 598733669 /nfs/dbraw/zinc/73/36/69/598733669.db2.gz XWVFVPQHHWWQMP-AWEZNQCLSA-N 1 0 399.499 1.822 20 0 GDADRO CN(C(=O)c1sccc1-c1nn[nH]n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000736853351 598743839 /nfs/dbraw/zinc/74/38/39/598743839.db2.gz WUHQGIHGKHNTOR-ZDUSSCGKSA-N 1 0 375.502 1.169 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000736532367 598755644 /nfs/dbraw/zinc/75/56/44/598755644.db2.gz BQHYFQRHSNAZIH-UHFFFAOYSA-N 1 0 379.415 1.135 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000669628167 598756506 /nfs/dbraw/zinc/75/65/06/598756506.db2.gz RCVHWZDZOYLHAB-GJZGRUSLSA-N 1 0 396.904 1.767 20 0 GDADRO NC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737744901 598761756 /nfs/dbraw/zinc/76/17/56/598761756.db2.gz CNRKSVFBUZQCJU-LBPRGKRZSA-N 1 0 391.863 1.579 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000738387178 598763065 /nfs/dbraw/zinc/76/30/65/598763065.db2.gz NSEZPVTZVYQLRH-RDJZCZTQSA-N 1 0 395.467 1.435 20 0 GDADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736802935 598776478 /nfs/dbraw/zinc/77/64/78/598776478.db2.gz YPFLSUXMEHAZIP-CYBMUJFWSA-N 1 0 384.362 1.341 20 0 GDADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)CC(=O)NCc1cccs1 ZINC000736791811 598795004 /nfs/dbraw/zinc/79/50/04/598795004.db2.gz HVKOJWITRZPGAJ-UHFFFAOYSA-N 1 0 399.480 1.505 20 0 GDADRO Fc1cccc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c1-c1nn[nH]n1 ZINC000737663643 598796042 /nfs/dbraw/zinc/79/60/42/598796042.db2.gz JKKQYQRAWFVWEB-UHFFFAOYSA-N 1 0 397.462 1.810 20 0 GDADRO CC(C)[NH2+]C1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735893357 598811339 /nfs/dbraw/zinc/81/13/39/598811339.db2.gz VJPLTEKMAHTERI-UHFFFAOYSA-N 1 0 377.880 1.921 20 0 GDADRO COc1ccc([C@@H](CO)[N@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)cc1 ZINC000737074023 598820794 /nfs/dbraw/zinc/82/07/94/598820794.db2.gz HLUYHMMKOGNNMS-GOSISDBHSA-N 1 0 396.451 1.869 20 0 GDADRO CC(=O)N1CCN([C@@H]2C[N@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)CC1 ZINC000735466611 599298241 /nfs/dbraw/zinc/29/82/41/599298241.db2.gz VFIGYTVPZWEYCW-ZRGWGRIASA-N 1 0 383.500 1.412 20 0 GDADRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736412138 599302141 /nfs/dbraw/zinc/30/21/41/599302141.db2.gz UCEAQUKSCGNOFF-OLMNPRSZSA-N 1 0 397.483 1.209 20 0 GDADRO NC(=O)c1cc([C@H]2CCC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)n[nH]1 ZINC000737754053 599317110 /nfs/dbraw/zinc/31/71/10/599317110.db2.gz BVRCFRSAAFNPJH-LBPRGKRZSA-N 1 0 391.439 1.321 20 0 GDADRO CCOc1ccnc(N2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000736654888 599317143 /nfs/dbraw/zinc/31/71/43/599317143.db2.gz MEEHSSARRJEYBS-AWEZNQCLSA-N 1 0 380.456 1.939 20 0 GDADRO C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@@H+]2CCC3(CCCC3)C2)C1=O ZINC000820637542 599329106 /nfs/dbraw/zinc/32/91/06/599329106.db2.gz ZHJFGMNZOBMFCM-LJQANCHMSA-N 1 0 395.467 1.857 20 0 GDADRO O=S(=O)(c1cccc(F)c1-c1nn[nH]n1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000823606126 599344122 /nfs/dbraw/zinc/34/41/22/599344122.db2.gz FMIPDXZJGLVAFU-ZDUSSCGKSA-N 1 0 394.476 1.645 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820752096 599346513 /nfs/dbraw/zinc/34/65/13/599346513.db2.gz KHVGENDJBGDBOW-HZMBPMFUSA-N 1 0 384.893 1.481 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000821253135 599346964 /nfs/dbraw/zinc/34/69/64/599346964.db2.gz DFLFIBMTWJVRGA-CJNGLKHVSA-N 1 0 378.502 1.359 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)CC1 ZINC000821240777 599355269 /nfs/dbraw/zinc/35/52/69/599355269.db2.gz IZKDTXNDLSNGBO-UHFFFAOYSA-N 1 0 378.502 1.575 20 0 GDADRO O=C1CCCCN1CC1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738301956 599358730 /nfs/dbraw/zinc/35/87/30/599358730.db2.gz HDCRCONSFZPAJG-UHFFFAOYSA-N 1 0 384.484 1.970 20 0 GDADRO C[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820365902 599408346 /nfs/dbraw/zinc/40/83/46/599408346.db2.gz LNDFKPRLOWGUAK-HNNXBMFYSA-N 1 0 386.504 1.255 20 0 GDADRO Fc1ccc(C2([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCOCC2)cc1 ZINC000822767095 599440128 /nfs/dbraw/zinc/44/01/28/599440128.db2.gz WMFOCNDAYXVJSJ-ZDUSSCGKSA-N 1 0 398.446 1.540 20 0 GDADRO C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820357897 599441544 /nfs/dbraw/zinc/44/15/44/599441544.db2.gz KEHWMTBOONAOKL-GJZGRUSLSA-N 1 0 399.499 1.728 20 0 GDADRO Cn1c(CC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)nc2ccccc21 ZINC000737590095 599445766 /nfs/dbraw/zinc/44/57/66/599445766.db2.gz HFQRDUKIGRHIDG-UHFFFAOYSA-N 1 0 389.467 1.513 20 0 GDADRO CO[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1 ZINC000821677072 599449188 /nfs/dbraw/zinc/44/91/88/599449188.db2.gz NTFJPOZXIZMSOZ-IAQYHMDHSA-N 1 0 388.863 1.736 20 0 GDADRO C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1ccc(Cl)cc1 ZINC000820276211 599461991 /nfs/dbraw/zinc/46/19/91/599461991.db2.gz URVMNXSXIGRXSH-NEPJUHHUSA-N 1 0 388.863 1.815 20 0 GDADRO CC1CC[NH+](CCCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000820722829 599463745 /nfs/dbraw/zinc/46/37/45/599463745.db2.gz POYUOZRENNFIKF-UHFFFAOYSA-N 1 0 375.452 1.927 20 0 GDADRO CC1CC[NH+](CCCCNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000820722314 599478156 /nfs/dbraw/zinc/47/81/56/599478156.db2.gz HNZBVPRHTUWQCA-UHFFFAOYSA-N 1 0 393.517 1.438 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000738420998 599486149 /nfs/dbraw/zinc/48/61/49/599486149.db2.gz OEWZCPMRUFNGEY-UHFFFAOYSA-N 1 0 398.540 1.966 20 0 GDADRO Cn1c(CCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)nc2ccccc21 ZINC000737591623 599493773 /nfs/dbraw/zinc/49/37/73/599493773.db2.gz MNOYGDRJHKYFFO-CYBMUJFWSA-N 1 0 392.471 1.214 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2c(Cl)cccc2-c2nn[nH]n2)CC1 ZINC000821575590 599546586 /nfs/dbraw/zinc/54/65/86/599546586.db2.gz IAYWCUNZFZGHNH-UHFFFAOYSA-N 1 0 377.880 1.875 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738389008 599590168 /nfs/dbraw/zinc/59/01/68/599590168.db2.gz VHOMDHSVCZBJKY-QZTJIDSGSA-N 1 0 386.500 1.557 20 0 GDADRO COC(=O)CC[N@H+](CCOc1ccccc1-c1nn[nH]n1)C1CCOCC1 ZINC000821661813 599594867 /nfs/dbraw/zinc/59/48/67/599594867.db2.gz ZQYVRRSELIEBTR-UHFFFAOYSA-N 1 0 375.429 1.290 20 0 GDADRO COC(=O)Nc1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 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RXGNAMCWUBFIGQ-KGLIPLIRSA-N 1 0 389.847 1.202 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000821612282 607211331 /nfs/dbraw/zinc/21/13/31/607211331.db2.gz PINIJWDRECMKPD-QZTJIDSGSA-N 1 0 399.499 1.386 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)c3ncc(-c4nn[nH]n4)cc3Cl)nc2)CC1 ZINC000821628645 607233833 /nfs/dbraw/zinc/23/38/33/607233833.db2.gz NIJFPFMKNVQFSZ-UHFFFAOYSA-N 1 0 399.846 1.314 20 0 GDADRO c1cn(CC2CC[NH+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC2)nn1 ZINC000826524580 607809814 /nfs/dbraw/zinc/80/98/14/607809814.db2.gz ADZYWFWYTJZNPM-UHFFFAOYSA-N 1 0 390.455 1.691 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485289 607815072 /nfs/dbraw/zinc/81/50/72/607815072.db2.gz JWDYCUUCWCAYDL-HNNXBMFYSA-N 1 0 385.449 1.234 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485290 607815190 /nfs/dbraw/zinc/81/51/90/607815190.db2.gz JWDYCUUCWCAYDL-OAHLLOKOSA-N 1 0 385.449 1.234 20 0 GDADRO COc1cccc(CC[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826216254 607815485 /nfs/dbraw/zinc/81/54/85/607815485.db2.gz QFBGTCYSABJEQH-UHFFFAOYSA-N 1 0 387.465 1.481 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000824414072 607833973 /nfs/dbraw/zinc/83/39/73/607833973.db2.gz TUFDVPOXVJWUMX-SNVBAGLBSA-N 1 0 398.298 1.539 20 0 GDADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000823975114 607848742 /nfs/dbraw/zinc/84/87/42/607848742.db2.gz UTCAGMSNMSTEON-OAHLLOKOSA-N 1 0 380.456 1.488 20 0 GDADRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC000826146197 607858195 /nfs/dbraw/zinc/85/81/95/607858195.db2.gz RMTBLIZWMNNIQD-ZACQAIPSSA-N 1 0 386.456 1.464 20 0 GDADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H]1CCC[C@@H]1O ZINC000825914931 607859862 /nfs/dbraw/zinc/85/98/62/607859862.db2.gz PJVFLRHCZMQSJD-NHYWBVRUSA-N 1 0 378.864 1.942 20 0 GDADRO CN1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)[C@H]1c1ccccc1 ZINC000826028808 607977876 /nfs/dbraw/zinc/97/78/76/607977876.db2.gz IFYTYJWFDGXFAD-RRQGHBQHSA-N 1 0 379.472 1.140 20 0 GDADRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826028813 607982810 /nfs/dbraw/zinc/98/28/10/607982810.db2.gz IHSGOIUUGLUMNE-SJORKVTESA-N 1 0 391.435 1.367 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)Cn2ccc3ccccc32)c1-c1nn[nH]n1 ZINC000826077535 608019785 /nfs/dbraw/zinc/01/97/85/608019785.db2.gz LLWPZHNIDIOHHN-UHFFFAOYSA-N 1 0 379.428 1.335 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CSCc2cscn2)c1-c1nn[nH]n1 ZINC000826077556 608019791 /nfs/dbraw/zinc/01/97/91/608019791.db2.gz MCFGPFMUWWPOHY-UHFFFAOYSA-N 1 0 393.502 1.070 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826077858 608019861 /nfs/dbraw/zinc/01/98/61/608019861.db2.gz XSYQWOCOCUUDHW-ZIAGYGMSSA-N 1 0 380.456 1.559 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1-c1nn[nH]n1 ZINC000826077805 608020033 /nfs/dbraw/zinc/02/00/33/608020033.db2.gz WKRIVZWSPNSLPJ-VBKZILBWSA-N 1 0 392.467 1.584 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C(=O)c2ccc(Cl)cc2)c1-c1nn[nH]n1 ZINC000826073105 608021725 /nfs/dbraw/zinc/02/17/25/608021725.db2.gz FDRSBDSTBBLIJV-UHFFFAOYSA-N 1 0 388.819 1.217 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCn2ccc3ccccc32)c1-c1nn[nH]n1 ZINC000826077444 608022266 /nfs/dbraw/zinc/02/22/66/608022266.db2.gz IIXQLMQIHGIFHA-UHFFFAOYSA-N 1 0 393.455 1.725 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccccc3C)CC2)c1-c1nn[nH]n1 ZINC000826073161 608022635 /nfs/dbraw/zinc/02/26/35/608022635.db2.gz HDTQBKMUCSFVGT-UHFFFAOYSA-N 1 0 380.456 1.721 20 0 GDADRO Cn1ccnc1[C@H](O)C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826363976 608033331 /nfs/dbraw/zinc/03/33/31/608033331.db2.gz HHRXDIQPEUOKCV-DLBZAZTESA-N 1 0 383.456 1.079 20 0 GDADRO CC[NH+](CC)CCCNC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825412497 608061091 /nfs/dbraw/zinc/06/10/91/608061091.db2.gz QJQLWLNHMQJZOQ-KRWDZBQOSA-N 1 0 387.488 1.682 20 0 GDADRO c1cncc(CN2CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826525548 608079901 /nfs/dbraw/zinc/07/99/01/608079901.db2.gz PCCCTFPAWDYDQP-UHFFFAOYSA-N 1 0 379.468 1.848 20 0 GDADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824465397 608113223 /nfs/dbraw/zinc/11/32/23/608113223.db2.gz OCWBKXBZMNALNN-GFCCVEGCSA-N 1 0 379.399 1.894 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc3nccn3c2C)c1-c1nn[nH]n1 ZINC000826084392 608113909 /nfs/dbraw/zinc/11/39/09/608113909.db2.gz ZRXSLLWSIRLTPF-UHFFFAOYSA-N 1 0 386.445 1.012 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000826358564 608140749 /nfs/dbraw/zinc/14/07/49/608140749.db2.gz YTDCINMMQGHGHH-UHFFFAOYSA-N 1 0 395.467 1.587 20 0 GDADRO CCc1nnc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(-c2nn[nH]n2)c1CC ZINC000825768126 608149770 /nfs/dbraw/zinc/14/97/70/608149770.db2.gz ZLEDGVCEJGAOPO-YOEHRIQHSA-N 1 0 399.547 1.244 20 0 GDADRO C[C@H]1CN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824994215 608151251 /nfs/dbraw/zinc/15/12/51/608151251.db2.gz ULPYJIGZSOLLRU-GUYCJALGSA-N 1 0 375.908 1.982 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000826175385 608169447 /nfs/dbraw/zinc/16/94/47/608169447.db2.gz CKXVCELYVZBRAD-GJZGRUSLSA-N 1 0 386.456 1.245 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000826182576 608170844 /nfs/dbraw/zinc/17/08/44/608170844.db2.gz NXCOHHCZLWBUPC-CRAIPNDOSA-N 1 0 385.516 1.333 20 0 GDADRO CS[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C[C@H]1[NH+](C)C ZINC000826227150 608205747 /nfs/dbraw/zinc/20/57/47/608205747.db2.gz MQEJONLPCVGOAA-HUUCEWRRSA-N 1 0 390.513 1.528 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cn1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000826414121 608221197 /nfs/dbraw/zinc/22/11/97/608221197.db2.gz GLQZZVQJXJOOHO-UHFFFAOYSA-N 1 0 392.467 1.951 20 0 GDADRO NC(=O)[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389139 608239439 /nfs/dbraw/zinc/23/94/39/608239439.db2.gz QTEBSVUBQXICHZ-INIZCTEOSA-N 1 0 383.481 1.561 20 0 GDADRO COCc1cnc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000826165339 608250846 /nfs/dbraw/zinc/25/08/46/608250846.db2.gz PVPAVMCHCGZFRU-UHFFFAOYSA-N 1 0 386.485 1.623 20 0 GDADRO C[C@H](C(N)=O)[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@@H](C)C2 ZINC000824967684 608267809 /nfs/dbraw/zinc/26/78/09/608267809.db2.gz MTIZNUDQNMPDIA-NXEZZACHSA-N 1 0 391.501 1.187 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000824975771 608319952 /nfs/dbraw/zinc/31/99/52/608319952.db2.gz LGTVVFRYIBBAGC-MDZLAQPJSA-N 1 0 389.529 1.626 20 0 GDADRO O=C(C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410497 608326525 /nfs/dbraw/zinc/32/65/25/608326525.db2.gz PEURDVUVYSSTQP-IAGOWNOFSA-N 1 0 384.484 1.622 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000826169552 608359665 /nfs/dbraw/zinc/35/96/65/608359665.db2.gz WUBRPXNGMXLYMN-OAHLLOKOSA-N 1 0 382.472 1.996 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(F)c(SC)c2)c1-c1nn[nH]n1 ZINC000826084296 608385493 /nfs/dbraw/zinc/38/54/93/608385493.db2.gz YCSYZVUFFVAWFD-UHFFFAOYSA-N 1 0 390.448 1.855 20 0 GDADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000826160274 608389104 /nfs/dbraw/zinc/38/91/04/608389104.db2.gz LXGKZHWIFPUXQI-TZMCWYRMSA-N 1 0 376.436 1.369 20 0 GDADRO O=C(NCCC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)C(F)(F)F ZINC000826437056 608393118 /nfs/dbraw/zinc/39/31/18/608393118.db2.gz UOXVYBWMTGWUNZ-UHFFFAOYSA-N 1 0 398.389 1.779 20 0 GDADRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826214143 608432415 /nfs/dbraw/zinc/43/24/15/608432415.db2.gz BOQYALUPEDECAO-CYBMUJFWSA-N 1 0 387.465 2.000 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562678 608460943 /nfs/dbraw/zinc/46/09/43/608460943.db2.gz IIDCZRXHBSICSQ-CYBMUJFWSA-N 1 0 393.451 1.858 20 0 GDADRO CCOC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825499854 608464037 /nfs/dbraw/zinc/46/40/37/608464037.db2.gz VUEFOGWZSRFTDW-CYBMUJFWSA-N 1 0 386.456 1.319 20 0 GDADRO COC(=O)C1(NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)CCCCC1 ZINC000826124928 608483804 /nfs/dbraw/zinc/48/38/04/608483804.db2.gz YOBJJPMILGBIAK-ZDUSSCGKSA-N 1 0 386.456 1.509 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sccc1C(N)=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824532845 608487814 /nfs/dbraw/zinc/48/78/14/608487814.db2.gz XEBZWDYJOZAQQB-ZJUUUORDSA-N 1 0 385.453 1.705 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824564460 608488163 /nfs/dbraw/zinc/48/81/63/608488163.db2.gz UBHVXOOGANRSKF-HNNXBMFYSA-N 1 0 391.479 1.696 20 0 GDADRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826217725 608491511 /nfs/dbraw/zinc/49/15/11/608491511.db2.gz ZRTMPQPSMKIJQF-BBRMVZONSA-N 1 0 399.451 1.974 20 0 GDADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000824572943 608494522 /nfs/dbraw/zinc/49/45/22/608494522.db2.gz YHOHSBGTMJKNCN-KZULUSFZSA-N 1 0 378.436 1.770 20 0 GDADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@@H]1CCOC1 ZINC000530441232 649976309 /nfs/dbraw/zinc/97/63/09/649976309.db2.gz CIAXYXZCTDBYEL-PBHICJAKSA-N 1 0 385.302 1.773 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1C1CCOCC1 ZINC000826476346 608523561 /nfs/dbraw/zinc/52/35/61/608523561.db2.gz FYZNTINZMGBIMR-QZTJIDSGSA-N 1 0 382.468 1.614 20 0 GDADRO O=C(C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826412674 608526948 /nfs/dbraw/zinc/52/69/48/608526948.db2.gz YHNMIRYGRJYJGE-AZUAARDMSA-N 1 0 392.463 1.850 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000826412295 608528364 /nfs/dbraw/zinc/52/83/64/608528364.db2.gz JEWVHOWHRNZXNA-IRXDYDNUSA-N 1 0 382.468 1.615 20 0 GDADRO C[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@H](O)COCc1ccccc1 ZINC000825991732 608630698 /nfs/dbraw/zinc/63/06/98/608630698.db2.gz IVNUIWLHJJPYLA-SFHVURJKSA-N 1 0 393.451 1.524 20 0 GDADRO c1csc(N2CCC[N@@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)n1 ZINC000826526866 608634271 /nfs/dbraw/zinc/63/42/71/608634271.db2.gz PXPCWKLPBDIKLS-UHFFFAOYSA-N 1 0 381.469 1.683 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000826518767 608656187 /nfs/dbraw/zinc/65/61/87/608656187.db2.gz XEHJJVYRBAGAJA-QGZVFWFLSA-N 1 0 383.456 1.674 20 0 GDADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824176933 608656414 /nfs/dbraw/zinc/65/64/14/608656414.db2.gz DCKICOUPIVHFOC-AWEZNQCLSA-N 1 0 382.472 1.499 20 0 GDADRO CCn1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000825799849 608659666 /nfs/dbraw/zinc/65/96/66/608659666.db2.gz UDJHEIZGJYXZNL-UHFFFAOYSA-N 1 0 380.456 1.934 20 0 GDADRO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825870442 608747715 /nfs/dbraw/zinc/74/77/15/608747715.db2.gz MQQYIVIDYJEHEZ-UHFFFAOYSA-N 1 0 388.453 1.608 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825849761 608846996 /nfs/dbraw/zinc/84/69/96/608846996.db2.gz MNXVHDNSUCONMU-HYVNUMGLSA-N 1 0 382.472 1.198 20 0 GDADRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824578495 609136995 /nfs/dbraw/zinc/13/69/95/609136995.db2.gz UNBCPERQAXYCNB-UGSOOPFHSA-N 1 0 392.504 1.864 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547129 609144001 /nfs/dbraw/zinc/14/40/01/609144001.db2.gz MSLMHJFUFJAVGY-ZBFHGGJFSA-N 1 0 389.479 1.063 20 0 GDADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)n(C)n1 ZINC000826269230 609152282 /nfs/dbraw/zinc/15/22/82/609152282.db2.gz FTTFFXJMYMNNSE-ABAIWWIYSA-N 1 0 384.419 1.504 20 0 GDADRO Cc1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c(C)n1 ZINC000826329481 609187020 /nfs/dbraw/zinc/18/70/20/609187020.db2.gz FQZKAGXCIXWYLZ-UHFFFAOYSA-N 1 0 380.456 1.478 20 0 GDADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826441516 609187315 /nfs/dbraw/zinc/18/73/15/609187315.db2.gz ICXZUZLTZWHBFG-IBGZPJMESA-N 1 0 392.463 1.812 20 0 GDADRO COc1cccc([C@H](CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[NH+](C)C)c1 ZINC000826214103 609187717 /nfs/dbraw/zinc/18/77/17/609187717.db2.gz AHEPZIDTGQJHDA-ZWKOTPCHSA-N 1 0 396.451 1.328 20 0 GDADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825865589 609205042 /nfs/dbraw/zinc/20/50/42/609205042.db2.gz HBGUHJRTLKNMCM-LJQANCHMSA-N 1 0 394.479 1.533 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824907511 609215160 /nfs/dbraw/zinc/21/51/60/609215160.db2.gz IDZFBSIPODQNIK-IHETXDGRSA-N 1 0 384.484 1.764 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826287863 609215692 /nfs/dbraw/zinc/21/56/92/609215692.db2.gz GVNQNIGUFSLHSZ-QGZVFWFLSA-N 1 0 384.440 1.392 20 0 GDADRO C[C@@H](CCNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000824400956 609242090 /nfs/dbraw/zinc/24/20/90/609242090.db2.gz NDCGYZMLXFDVHN-KXBFYZLASA-N 1 0 394.479 1.927 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)c1-c1nn[nH]n1 ZINC000826077659 609267421 /nfs/dbraw/zinc/26/74/21/609267421.db2.gz POPQZYDKRHKIER-UHFFFAOYSA-N 1 0 399.459 1.293 20 0 GDADRO C[NH+](C)CCC1CCN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825860611 609294965 /nfs/dbraw/zinc/29/49/65/609294965.db2.gz UDCJUDDJDPVVTK-UHFFFAOYSA-N 1 0 378.502 1.360 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc2cccnn21 ZINC000825865785 609298527 /nfs/dbraw/zinc/29/85/27/609298527.db2.gz KTEINUSDSCKUJM-UHFFFAOYSA-N 1 0 390.451 1.718 20 0 GDADRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579094 609328919 /nfs/dbraw/zinc/32/89/19/609328919.db2.gz XISYVNOAANABDN-SCLBCKFNSA-N 1 0 392.504 1.864 20 0 GDADRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824544910 609333984 /nfs/dbraw/zinc/33/39/84/609333984.db2.gz ALMWRSCHBQNWPU-LBPRGKRZSA-N 1 0 375.452 1.209 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CN1C1CC1 ZINC000824894347 609341265 /nfs/dbraw/zinc/34/12/65/609341265.db2.gz YQFWTEWRYUKFLQ-CXAGYDPISA-N 1 0 378.484 1.982 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361461 609345131 /nfs/dbraw/zinc/34/51/31/609345131.db2.gz XVHHOPDEMUTNBH-XLIONFOSSA-N 1 0 395.467 1.695 20 0 GDADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000824599238 609350692 /nfs/dbraw/zinc/35/06/92/609350692.db2.gz MOZQDCWYGTZXHA-LBPRGKRZSA-N 1 0 388.453 1.244 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C1 ZINC000826028744 609364459 /nfs/dbraw/zinc/36/44/59/609364459.db2.gz HFLWQCXDLHCOOX-NSHDSACASA-N 1 0 385.407 1.407 20 0 GDADRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826390873 609365078 /nfs/dbraw/zinc/36/50/78/609365078.db2.gz PQXYIQMALLTRSN-JTQLQIEISA-N 1 0 379.262 1.717 20 0 GDADRO Cn1cc(CCC[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000826360532 609414849 /nfs/dbraw/zinc/41/48/49/609414849.db2.gz OFCPJSYWNJCAKU-KRWDZBQOSA-N 1 0 380.456 1.318 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@H]1CCc2ccccc2C1 ZINC000825000172 609420720 /nfs/dbraw/zinc/42/07/20/609420720.db2.gz NQFLXPCNTGDDFW-CVEARBPZSA-N 1 0 390.495 1.972 20 0 GDADRO COc1ccccc1[C@H](CO)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000826176122 609425947 /nfs/dbraw/zinc/42/59/47/609425947.db2.gz BWHYGZUMBOVKQY-HNNXBMFYSA-N 1 0 385.424 1.586 20 0 GDADRO COc1cccc([C@H](CO)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826214732 609427010 /nfs/dbraw/zinc/42/70/10/609427010.db2.gz VNTTZSYMVJAJRW-KRWDZBQOSA-N 1 0 382.424 1.527 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000824045939 609496336 /nfs/dbraw/zinc/49/63/36/609496336.db2.gz POBXYSMKKSACTG-CQSZACIVSA-N 1 0 378.440 1.411 20 0 GDADRO CC(C)(C)OC(=O)CCCC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000824100831 609514518 /nfs/dbraw/zinc/51/45/18/609514518.db2.gz YFDJRRMGZWNZTI-UHFFFAOYSA-N 1 0 387.488 1.896 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)C[NH+]1CCCCC1 ZINC000824426203 609540075 /nfs/dbraw/zinc/54/00/75/609540075.db2.gz BSAWUVVQSKFNLJ-GFCCVEGCSA-N 1 0 398.920 1.920 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1Cl)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000826494752 609541598 /nfs/dbraw/zinc/54/15/98/609541598.db2.gz NUZZAQYIIFAASQ-CYBMUJFWSA-N 1 0 396.904 1.769 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1O ZINC000826202583 609600079 /nfs/dbraw/zinc/60/00/79/609600079.db2.gz FFVJFSBMQWMJIN-INIZCTEOSA-N 1 0 394.435 1.866 20 0 GDADRO CC(C)n1cc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000824371477 609600710 /nfs/dbraw/zinc/60/07/10/609600710.db2.gz HCWMEJAOJMWIDC-KRWDZBQOSA-N 1 0 380.456 1.929 20 0 GDADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000826022622 609625199 /nfs/dbraw/zinc/62/51/99/609625199.db2.gz PMLSWQCBYKRDQN-UHFFFAOYSA-N 1 0 391.863 1.307 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2sccc2OC)c1 ZINC000531698825 649995382 /nfs/dbraw/zinc/99/53/82/649995382.db2.gz CKRVHNJPDGBWPC-LLVKDONJSA-N 1 0 383.495 1.782 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc2nsnc21 ZINC000533331822 650048750 /nfs/dbraw/zinc/04/87/50/650048750.db2.gz OVPVPYIFLLXATJ-KWCYVHTRSA-N 1 0 382.511 1.564 20 0 GDADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000536854355 650281926 /nfs/dbraw/zinc/28/19/26/650281926.db2.gz VEICTKDTWFGMLP-BBRMVZONSA-N 1 0 388.917 1.480 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000538113602 650305693 /nfs/dbraw/zinc/30/56/93/650305693.db2.gz WXLHPBWSXWAHPL-LBPRGKRZSA-N 1 0 383.495 1.556 20 0 GDADRO C[C@@H]1CN(C(=O)NCCSCC(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000539910867 650343085 /nfs/dbraw/zinc/34/30/85/650343085.db2.gz XYEGWCKNPRMUKM-KGLIPLIRSA-N 1 0 382.496 1.949 20 0 GDADRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC[N@H+]1C ZINC000540016806 650346880 /nfs/dbraw/zinc/34/68/80/650346880.db2.gz DBZXUAQSDALPMO-ILXRZTDVSA-N 1 0 385.555 1.842 20 0 GDADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)S(=O)(=O)N(C)CC(C)C ZINC000540876575 650372399 /nfs/dbraw/zinc/37/23/99/650372399.db2.gz JVMRGZPAPVSBPR-MRXNPFEDSA-N 1 0 377.551 1.559 20 0 GDADRO COC(=O)Cn1cc(CC[NH2+][C@H](CCO)c2ccccc2Br)nn1 ZINC000541023878 650376413 /nfs/dbraw/zinc/37/64/13/650376413.db2.gz JWLCUXPZVMIWJQ-OAHLLOKOSA-N 1 0 397.273 1.469 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000541034558 650376429 /nfs/dbraw/zinc/37/64/29/650376429.db2.gz CPEJNCYICLALKZ-CJNGLKHVSA-N 1 0 399.333 1.418 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)[C@@H](N2CCOCC2)C1 ZINC000541248244 650380657 /nfs/dbraw/zinc/38/06/57/650380657.db2.gz CDIBPAUVPCBHDE-KXIUCKCTSA-N 1 0 384.929 1.673 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000541523355 650385827 /nfs/dbraw/zinc/38/58/27/650385827.db2.gz ABIWBHDYPIKLFA-CABCVRRESA-N 1 0 379.592 1.428 20 0 GDADRO CCS(=O)(=O)N1CCC(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000541615834 650387872 /nfs/dbraw/zinc/38/78/72/650387872.db2.gz FWYSNGYVBZAGNP-INIZCTEOSA-N 1 0 376.567 1.324 20 0 GDADRO CSc1ccccc1C[C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000542162604 650399949 /nfs/dbraw/zinc/39/99/49/650399949.db2.gz QQBHZKMPAHXPTN-KKUMJFAQSA-N 1 0 384.567 1.869 20 0 GDADRO C[C@H]1CN(C(=O)Nc2ccncc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000542812542 650413395 /nfs/dbraw/zinc/41/33/95/650413395.db2.gz VKLCMXWZBVMIID-XJKSGUPXSA-N 1 0 396.333 1.756 20 0 GDADRO CC(C)N(CCCNC(=O)C[NH2+][C@H](c1cccs1)C1CC1)S(C)(=O)=O ZINC000543439278 650422528 /nfs/dbraw/zinc/42/25/28/650422528.db2.gz BDFDTMIYDVQKAX-KRWDZBQOSA-N 1 0 387.571 1.965 20 0 GDADRO COCCN(C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000544331643 650437858 /nfs/dbraw/zinc/43/78/58/650437858.db2.gz CSFOJRFFAYRDOI-CVEARBPZSA-N 1 0 375.535 1.096 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNc2ncnc3cccc(I)c32)C1 ZINC000545869927 650463184 /nfs/dbraw/zinc/46/31/84/650463184.db2.gz GJTAPIWRGNNDHL-CQSZACIVSA-N 1 0 384.221 1.713 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ncc(I)cn1 ZINC000546025969 650467884 /nfs/dbraw/zinc/46/78/84/650467884.db2.gz KOQZOGXNSMVEEQ-NSHDSACASA-N 1 0 375.258 1.519 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000546570876 650479256 /nfs/dbraw/zinc/47/92/56/650479256.db2.gz BDHDZAKPBYADBI-CYBMUJFWSA-N 1 0 394.640 1.741 20 0 GDADRO CN(C(=O)CNC(=O)c1ccc(Br)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000547459314 650498582 /nfs/dbraw/zinc/49/85/82/650498582.db2.gz DRLJVNHJGAQUAX-OAHLLOKOSA-N 1 0 380.286 1.732 20 0 GDADRO CCN(CC)c1nc2sc(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2s1 ZINC000549514435 650578241 /nfs/dbraw/zinc/57/82/41/650578241.db2.gz KZANJGGSVMDOSN-UHFFFAOYSA-N 1 0 381.527 1.366 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)c1F ZINC000916187146 660188621 /nfs/dbraw/zinc/18/86/21/660188621.db2.gz UZYRZWZXHYEVPC-SECBINFHSA-N 1 0 381.267 1.827 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000550713088 650596945 /nfs/dbraw/zinc/59/69/45/650596945.db2.gz UNYOPMDTYSQPJV-TXEJJXNPSA-N 1 0 385.559 1.360 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000551215561 650601557 /nfs/dbraw/zinc/60/15/57/650601557.db2.gz VLRMEMCNKKWLOV-LBPRGKRZSA-N 1 0 383.695 1.447 20 0 GDADRO O=C(NCC1CCSCC1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000551391390 650605943 /nfs/dbraw/zinc/60/59/43/650605943.db2.gz XUALYQPBCBWYNY-UHFFFAOYSA-N 1 0 385.599 1.724 20 0 GDADRO CN1CCN([C@H](C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c2cccs2)CC1 ZINC000552072218 650618851 /nfs/dbraw/zinc/61/88/51/650618851.db2.gz LSZAPXLFQHOZGJ-YESZJQIVSA-N 1 0 385.599 1.982 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CSc1nnnn1CC(F)(F)F)c1ccsc1 ZINC000552526715 650628658 /nfs/dbraw/zinc/62/86/58/650628658.db2.gz LQMAXMBKLKEPDT-SNVBAGLBSA-N 1 0 394.448 1.808 20 0 GDADRO O=C(CNC(=O)c1csc(C(F)(F)F)n1)NCC[NH+]1CCCCCC1 ZINC000552700331 650631374 /nfs/dbraw/zinc/63/13/74/650631374.db2.gz BNWCFHYMUGXHPO-UHFFFAOYSA-N 1 0 378.420 1.884 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000553942771 650664482 /nfs/dbraw/zinc/66/44/82/650664482.db2.gz CAACWADIDIBPJW-HUUCEWRRSA-N 1 0 375.535 1.094 20 0 GDADRO C[NH+]1CCN(Cc2ccc(C(=O)NCc3n[nH]cc3Br)cc2)CC1 ZINC000554006608 650666203 /nfs/dbraw/zinc/66/62/03/650666203.db2.gz OICFNTCZRREUCM-UHFFFAOYSA-N 1 0 392.301 1.850 20 0 GDADRO O=S(=O)(NCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000554377863 650674171 /nfs/dbraw/zinc/67/41/71/650674171.db2.gz VKMKYFJQFGRKMI-GWCFXTLKSA-N 1 0 388.358 1.943 20 0 GDADRO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)CC2 ZINC000554591847 650678259 /nfs/dbraw/zinc/67/82/59/650678259.db2.gz VSHUNIWYXZYGCI-UONOGXRCSA-N 1 0 381.274 1.693 20 0 GDADRO O=C(CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[NH2+]CC1 ZINC000555416241 650690512 /nfs/dbraw/zinc/69/05/12/650690512.db2.gz MJPGJFHXMBBIRV-UHFFFAOYSA-N 1 0 392.257 1.001 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000554967870 650683979 /nfs/dbraw/zinc/68/39/79/650683979.db2.gz DIZZGFBVGSWCJX-UHFFFAOYSA-N 1 0 393.303 1.939 20 0 GDADRO C[N@@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1(C)C ZINC000555533549 650692506 /nfs/dbraw/zinc/69/25/06/650692506.db2.gz HGCQMYLQDHMGAH-UHFFFAOYSA-N 1 0 385.555 1.628 20 0 GDADRO CS(=O)(=O)CC1CCC([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000556077044 650699212 /nfs/dbraw/zinc/69/92/12/650699212.db2.gz SIVRTCHIWDISBZ-UHFFFAOYSA-N 1 0 389.539 1.662 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000556176571 650699587 /nfs/dbraw/zinc/69/95/87/650699587.db2.gz BCMFEEPGRIEVBM-CYBMUJFWSA-N 1 0 389.315 1.727 20 0 GDADRO CN(CC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000556262005 650701133 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C[C@@H](CNC(=O)CS(=O)(=O)c1cccc(Br)c1)C[NH+](C)C ZINC000557466952 650726516 /nfs/dbraw/zinc/72/65/16/650726516.db2.gz GVNTUZGRKHKZKW-NSHDSACASA-N 1 0 377.304 1.537 20 0 GDADRO CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000563712336 650737969 /nfs/dbraw/zinc/73/79/69/650737969.db2.gz FGJLKXGYEUPAIZ-CYBMUJFWSA-N 1 0 375.441 1.947 20 0 GDADRO O=C(NCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000563945240 650744248 /nfs/dbraw/zinc/74/42/48/650744248.db2.gz VJUNYHXTOVEVCI-HNNXBMFYSA-N 1 0 395.301 1.715 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000563952556 650744511 /nfs/dbraw/zinc/74/45/11/650744511.db2.gz KYXPHURAOPHNSO-UHFFFAOYSA-N 1 0 381.420 1.951 20 0 GDADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000564121145 650749598 /nfs/dbraw/zinc/74/95/98/650749598.db2.gz YDJAOLJLVGIZAS-CQSZACIVSA-N 1 0 383.543 1.889 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3cc(F)cc(Br)c3F)CCN2C1=O ZINC000564471127 650759154 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CC[NH2+]CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000564981978 650775236 /nfs/dbraw/zinc/77/52/36/650775236.db2.gz MJQIXKCVAUWFOA-NSHDSACASA-N 1 0 381.420 1.488 20 0 GDADRO CCC(CC)(C[NH3+])NC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000564991607 650775363 /nfs/dbraw/zinc/77/53/63/650775363.db2.gz MEQRKOAEGYBKFY-UHFFFAOYSA-N 1 0 392.319 1.361 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000564992386 650775853 /nfs/dbraw/zinc/77/58/53/650775853.db2.gz YWBYOEJVZRJTGC-JOYOIKCWSA-N 1 0 380.297 1.386 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 ZINC000565111239 650781694 /nfs/dbraw/zinc/78/16/94/650781694.db2.gz XCVZOYSXZWFWPP-UHFFFAOYSA-N 1 0 384.527 1.098 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565247297 650789391 /nfs/dbraw/zinc/78/93/91/650789391.db2.gz YRCGJHICERQTQX-GXSJLCMTSA-N 1 0 385.237 1.672 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000565220798 650784740 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GDADRO OCCCN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000566797177 650867396 /nfs/dbraw/zinc/86/73/96/650867396.db2.gz HGRYHVIQMPQFDU-JKSUJKDBSA-N 1 0 387.318 1.625 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCc4c3ccc(Cl)c4Cl)CCN2C1=O ZINC000566864987 650870975 /nfs/dbraw/zinc/87/09/75/650870975.db2.gz SFOBMIJLSBCRDW-FZQKWOKYSA-N 1 0 383.279 1.934 20 0 GDADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000567470624 650906332 /nfs/dbraw/zinc/90/63/32/650906332.db2.gz JOSYUEVSNIJSKH-CJNGLKHVSA-N 1 0 387.933 1.720 20 0 GDADRO O=C1NC(=S)NC(=O)C1=CNC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000028975617 644298102 /nfs/dbraw/zinc/29/81/02/644298102.db2.gz IXGBTXZDRQHEMJ-AWEZNQCLSA-N 1 0 378.885 1.481 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000041297230 644325760 /nfs/dbraw/zinc/32/57/60/644325760.db2.gz ZDKBETFFWGJHFW-UHFFFAOYSA-N 1 0 378.292 1.167 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567628047 650911907 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GDADRO Nc1c(Br)cccc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000061454480 644512864 /nfs/dbraw/zinc/51/28/64/644512864.db2.gz AOLQMPNLLPQARK-UHFFFAOYSA-N 1 0 396.285 1.931 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000062700339 644518851 /nfs/dbraw/zinc/51/88/51/644518851.db2.gz FQJDBCSTMZQZRV-NSHDSACASA-N 1 0 376.935 1.758 20 0 GDADRO CC(C)NS(=O)(=O)c1cccc(CNC(=S)NC2CC[NH+](C)CC2)c1 ZINC000063147815 644519273 /nfs/dbraw/zinc/51/92/73/644519273.db2.gz ODENWMIUPXGBLY-UHFFFAOYSA-N 1 0 384.571 1.432 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000567939070 650930530 /nfs/dbraw/zinc/93/05/30/650930530.db2.gz PIGVRVYHAVWYJB-CVEARBPZSA-N 1 0 394.313 1.935 20 0 GDADRO C[NH+](C)CCn1nnnc1SCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000102951023 644600903 /nfs/dbraw/zinc/60/09/03/644600903.db2.gz IMTRSIJSHSSWLI-UHFFFAOYSA-N 1 0 377.442 1.523 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000568059759 650935763 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CS[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C[C@H]1[NH+](C)C ZINC000331856674 645538933 /nfs/dbraw/zinc/53/89/33/645538933.db2.gz WDVRXWSRPBKBMK-HZPDHXFCSA-N 1 0 383.539 1.344 20 0 GDADRO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000570037036 651023123 /nfs/dbraw/zinc/02/31/23/651023123.db2.gz GHOJYUNGCQWUJE-MNOVXSKESA-N 1 0 379.935 1.526 20 0 GDADRO CO[C@@]1(C)CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000366467324 645588986 /nfs/dbraw/zinc/58/89/86/645588986.db2.gz ACTJRNFZDZXJLW-KRWDZBQOSA-N 1 0 377.551 1.054 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2([NH+](C)C)CCC2)c1OC ZINC000570189631 651029064 /nfs/dbraw/zinc/02/90/64/651029064.db2.gz YMJHPOPESKRJFJ-UHFFFAOYSA-N 1 0 390.889 1.898 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000368945500 645633863 /nfs/dbraw/zinc/63/38/63/645633863.db2.gz LKIQIDBPSKFAOJ-CQSZACIVSA-N 1 0 381.274 1.398 20 0 GDADRO O=C(C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)NCC1CC1 ZINC000570202107 651029629 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[NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419073788 645912075 /nfs/dbraw/zinc/91/20/75/645912075.db2.gz CRBPCCMHZJQDEC-CQSZACIVSA-N 1 0 380.286 1.547 20 0 GDADRO O=C(NCCc1ccc(Br)s1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419113651 645912505 /nfs/dbraw/zinc/91/25/05/645912505.db2.gz LTUNVXFTFBESKJ-OAHLLOKOSA-N 1 0 386.315 1.524 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419369905 645914498 /nfs/dbraw/zinc/91/44/98/645914498.db2.gz GGKIGVUBRIZVBN-GFCCVEGCSA-N 1 0 382.302 1.841 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000419401594 645916110 /nfs/dbraw/zinc/91/61/10/645916110.db2.gz NTCRIDAIVTUXLP-NSHDSACASA-N 1 0 389.283 1.471 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000419400405 645916189 /nfs/dbraw/zinc/91/61/89/645916189.db2.gz KWBNENJJRCZZNR-QWRGUYRKSA-N 1 0 389.283 1.327 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)Oc1ccccc1Br ZINC000419605960 645924100 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GDADRO O=C(CC[N@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1ccc(Br)cc1F ZINC000571025137 651063066 /nfs/dbraw/zinc/06/30/66/651063066.db2.gz JVZRVFNWZDAOSE-IINYFYTJSA-N 1 0 375.238 1.592 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420062442 645934826 /nfs/dbraw/zinc/93/48/26/645934826.db2.gz CEEOQHADLFGOFI-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000420148687 645935908 /nfs/dbraw/zinc/93/59/08/645935908.db2.gz UPDIINRHBAHYDU-GXTWGEPZSA-N 1 0 384.933 1.160 20 0 GDADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420193725 645938544 /nfs/dbraw/zinc/93/85/44/645938544.db2.gz JFJHRLQVDKZNAC-JQWIXIFHSA-N 1 0 386.279 1.544 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000420190074 645938692 /nfs/dbraw/zinc/93/86/92/645938692.db2.gz FROJAMWAPAFMHP-HUUCEWRRSA-N 1 0 383.901 1.061 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420343749 645940901 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647322410 /nfs/dbraw/zinc/32/24/10/647322410.db2.gz OTNPGQFJJOOBCB-HOCLYGCPSA-N 1 0 383.286 1.716 20 0 GDADRO COc1ccc(Br)cc1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452384327 647322485 /nfs/dbraw/zinc/32/24/85/647322485.db2.gz BNDIDXUKOOPBIM-HNNXBMFYSA-N 1 0 385.302 1.963 20 0 GDADRO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000454465458 647356557 /nfs/dbraw/zinc/35/65/57/647356557.db2.gz LASPKYVCGWCXMJ-RUZDIDTESA-N 1 0 375.535 1.203 20 0 GDADRO Cn1cc(Br)cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1=O ZINC000454923327 647364522 /nfs/dbraw/zinc/36/45/22/647364522.db2.gz ZVKXMNQMOMTGNB-LBPRGKRZSA-N 1 0 387.278 1.116 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000457209900 647415904 /nfs/dbraw/zinc/41/59/04/647415904.db2.gz PFWWXGURJFESPL-UHFFFAOYSA-N 1 0 382.258 1.502 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000458723214 647449964 /nfs/dbraw/zinc/44/99/64/647449964.db2.gz HUCWFDNTEJUVDM-UHFFFAOYSA-N 1 0 394.900 1.397 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000460268324 647468805 /nfs/dbraw/zinc/46/88/05/647468805.db2.gz XWGUAUZSLQQJQQ-BZNIZROVSA-N 1 0 388.281 1.885 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000462597402 647534100 /nfs/dbraw/zinc/53/41/00/647534100.db2.gz SJGLSLJETGZZDK-HNNXBMFYSA-N 1 0 375.535 1.170 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000462700952 647541290 /nfs/dbraw/zinc/54/12/90/647541290.db2.gz NOIFOHCLNLLDIV-UHFFFAOYSA-N 1 0 387.527 1.816 20 0 GDADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000462808546 647544789 /nfs/dbraw/zinc/54/47/89/647544789.db2.gz POATVADNVSPTDA-JSGCOSHPSA-N 1 0 379.507 1.646 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CSc2nnnn2CC(F)(F)F)C1 ZINC000464561526 647584407 /nfs/dbraw/zinc/58/44/07/647584407.db2.gz UZCRLSMGWXFNPU-NSHDSACASA-N 1 0 380.440 1.518 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NCCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000465704831 647603086 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C[C@H](C[NH3+])NS(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000470442694 647726036 /nfs/dbraw/zinc/72/60/36/647726036.db2.gz UKEVVYYBTZQREP-RXMQYKEDSA-N 1 0 390.072 1.976 20 0 GDADRO COC(=O)CCCCCS(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000471621084 647748770 /nfs/dbraw/zinc/74/87/70/647748770.db2.gz SBJFGOTXVIKTDG-UHFFFAOYSA-N 1 0 376.519 1.284 20 0 GDADRO C[NH+](C)CCOCCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000476268018 647776198 /nfs/dbraw/zinc/77/61/98/647776198.db2.gz CBZORROAHRJDGF-ZDUSSCGKSA-N 1 0 398.301 1.496 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)c1ccsc1 ZINC000476932666 647789537 /nfs/dbraw/zinc/78/95/37/647789537.db2.gz QFWQNIFXRTZQCE-CABCVRRESA-N 1 0 375.560 1.821 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)C[NH+](C)C ZINC000921644063 660318316 /nfs/dbraw/zinc/31/83/16/660318316.db2.gz ONSRJRLBOIXIJO-LBPRGKRZSA-N 1 0 377.894 1.543 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000477314225 647799669 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COc1nc(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)ncc1Br ZINC000486790355 647941163 /nfs/dbraw/zinc/94/11/63/647941163.db2.gz WRPIHXBZJCETFD-VXGBXAGGSA-N 1 0 398.305 1.094 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487479975 647954392 /nfs/dbraw/zinc/95/43/92/647954392.db2.gz FZZLKMLGXMVZML-MRXNPFEDSA-N 1 0 399.333 1.199 20 0 GDADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000490028251 647983933 /nfs/dbraw/zinc/98/39/33/647983933.db2.gz GSSUUBVIZJJSEC-HNNXBMFYSA-N 1 0 388.331 1.258 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(I)cnn2C)C1 ZINC000493999230 648002251 /nfs/dbraw/zinc/00/22/51/648002251.db2.gz WARUBTUSCIFYSL-JTQLQIEISA-N 1 0 376.242 1.486 20 0 GDADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)COC1CCOCC1 ZINC000494285453 648005140 /nfs/dbraw/zinc/00/51/40/648005140.db2.gz POYKQLXCFBAMDA-ZDUSSCGKSA-N 1 0 394.331 1.861 20 0 GDADRO CCCS(=O)(=O)Nc1cccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000495622755 648014501 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GDADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000507567524 648249163 /nfs/dbraw/zinc/24/91/63/648249163.db2.gz OYRYGOSPODLFDV-MRXNPFEDSA-N 1 0 375.535 1.503 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000507806466 648252814 /nfs/dbraw/zinc/25/28/14/648252814.db2.gz DVNCMXNLRGYVKO-CJNGLKHVSA-N 1 0 384.274 1.639 20 0 GDADRO O=S(=O)(NCC[NH2+]Cc1cnc2cnccn12)c1ccc(F)cc1Cl ZINC000509405359 648285428 /nfs/dbraw/zinc/28/54/28/648285428.db2.gz SNMVQLJLFIFGBW-UHFFFAOYSA-N 1 0 383.836 1.590 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c1Br ZINC000509829825 648301433 /nfs/dbraw/zinc/30/14/33/648301433.db2.gz ZASUBHLXDMXZEG-VIFPVBQESA-N 1 0 386.246 1.241 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cn2ccc(Br)cc2n1 ZINC000510167196 648318552 /nfs/dbraw/zinc/31/85/52/648318552.db2.gz DAEMZMJXYWAFEM-ZDUSSCGKSA-N 1 0 394.273 1.166 20 0 GDADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000510520616 648329232 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Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2cnc(C)nc2)c1 ZINC000513042206 648420029 /nfs/dbraw/zinc/42/00/29/648420029.db2.gz VZZZJGHFWKRLOC-UHFFFAOYSA-N 1 0 399.314 1.924 20 0 GDADRO O=C(C[C@H]1COCC[NH2+]1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000514733567 648463114 /nfs/dbraw/zinc/46/31/14/648463114.db2.gz VEPJNFQROBEYMZ-HNNXBMFYSA-N 1 0 398.301 1.280 20 0 GDADRO C[NH+]1CCN(CCCCNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000514815361 648467231 /nfs/dbraw/zinc/46/72/31/648467231.db2.gz CZQNPQDADORJDZ-UHFFFAOYSA-N 1 0 387.933 1.258 20 0 GDADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000514855615 648469123 /nfs/dbraw/zinc/46/91/23/648469123.db2.gz VOBJEQFNKZDFSE-MRXNPFEDSA-N 1 0 398.301 1.401 20 0 GDADRO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000514926012 648472027 /nfs/dbraw/zinc/47/20/27/648472027.db2.gz MFBRYOSBHQTXOP-CYBMUJFWSA-N 1 0 375.897 1.785 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N[C@H]1CCc2c1ccc(F)c2Br ZINC000515005614 648475179 /nfs/dbraw/zinc/47/51/79/648475179.db2.gz XVHGRHJPYBPGMV-AWEZNQCLSA-N 1 0 385.281 1.780 20 0 GDADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000516181665 648516474 /nfs/dbraw/zinc/51/64/74/648516474.db2.gz PTEOOLGKPRGQHO-VIFPVBQESA-N 1 0 398.312 1.476 20 0 GDADRO COCCN(CCOC)S(=O)(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000516769506 648534797 /nfs/dbraw/zinc/53/47/97/648534797.db2.gz ASQMPRDPDGLDTD-BBWFWOEESA-N 1 0 377.551 1.163 20 0 GDADRO COc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)ccc1Br ZINC000516917457 648543673 /nfs/dbraw/zinc/54/36/73/648543673.db2.gz JWLNWODWIFVFRQ-SNVBAGLBSA-N 1 0 379.276 1.115 20 0 GDADRO COCCN(Cc1sccc1Br)C(=O)C[C@H]1COCC[NH2+]1 ZINC000516964988 648547230 /nfs/dbraw/zinc/54/72/30/648547230.db2.gz CJLASJPQXITKOR-NSHDSACASA-N 1 0 377.304 1.864 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1nc(C2CC2)ncc1Br ZINC000517012292 648550627 /nfs/dbraw/zinc/55/06/27/648550627.db2.gz NIWDGUIHBRGVSY-LBPRGKRZSA-N 1 0 383.290 1.693 20 0 GDADRO COCc1c(Br)cccc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000517031690 648552320 /nfs/dbraw/zinc/55/23/20/648552320.db2.gz QZZSOKPDCJBCCE-AWEZNQCLSA-N 1 0 384.274 1.792 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1OC ZINC000517144386 648556767 /nfs/dbraw/zinc/55/67/67/648556767.db2.gz CKNRXJKGWWPXSV-BXKDBHETSA-N 1 0 376.862 1.412 20 0 GDADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)C1 ZINC000517825371 648579488 /nfs/dbraw/zinc/57/94/88/648579488.db2.gz XXQSPBZOSYTGGE-GXTWGEPZSA-N 1 0 379.507 1.961 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000517936065 648582303 /nfs/dbraw/zinc/58/23/03/648582303.db2.gz OPGTXKZMFVHGTE-SECBINFHSA-N 1 0 376.682 1.833 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)NCc2cccc(Br)c2C)CC1 ZINC000517961395 648583315 /nfs/dbraw/zinc/58/33/15/648583315.db2.gz NNAHZDFGSXADCY-UHFFFAOYSA-N 1 0 382.302 1.928 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000519148383 648622797 /nfs/dbraw/zinc/62/27/97/648622797.db2.gz DOETURDIGIABDX-HNNXBMFYSA-N 1 0 398.276 1.947 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000519487002 648628250 /nfs/dbraw/zinc/62/82/50/648628250.db2.gz LFQJWDRUXBPFEU-MNOVXSKESA-N 1 0 394.324 1.871 20 0 GDADRO Cc1cc(Cl)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1Cl ZINC000519657350 648633556 /nfs/dbraw/zinc/63/35/56/648633556.db2.gz WJPBFTGBIVANMI-CABZTGNLSA-N 1 0 385.251 1.011 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ncccc1Br ZINC000519823481 648641039 /nfs/dbraw/zinc/64/10/39/648641039.db2.gz PWNYTSLVUUXFTR-JTQLQIEISA-N 1 0 381.196 1.410 20 0 GDADRO CC(C)[NH+]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000520057629 648643389 /nfs/dbraw/zinc/64/33/89/648643389.db2.gz MEQXPFMFUMPHDE-UHFFFAOYSA-N 1 0 388.921 1.354 20 0 GDADRO COC(=O)C1(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CCOCC1 ZINC000520226448 648646346 /nfs/dbraw/zinc/64/63/46/648646346.db2.gz SLOLHIOBITWXCB-INIZCTEOSA-N 1 0 399.285 1.709 20 0 GDADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000520235155 648646988 /nfs/dbraw/zinc/64/69/88/648646988.db2.gz QVJWUFLUFDLYGS-UHFFFAOYSA-N 1 0 389.905 1.009 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCCN[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000521993201 648666377 /nfs/dbraw/zinc/66/63/77/648666377.db2.gz PUUZSYZSXQBWRV-GXTWGEPZSA-N 1 0 390.347 1.623 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000522102667 648669472 /nfs/dbraw/zinc/66/94/72/648669472.db2.gz RCGOEJIRSXPPAG-HNNXBMFYSA-N 1 0 399.337 1.238 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)CCNS(=O)(=O)c1cccs1)C(C)(C)C ZINC000522472908 648676710 /nfs/dbraw/zinc/67/67/10/648676710.db2.gz QZFGTYXFTQZZMN-ZDUSSCGKSA-N 1 0 375.560 1.899 20 0 GDADRO Cc1nccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1Br ZINC000525847870 648700882 /nfs/dbraw/zinc/70/08/82/648700882.db2.gz YFPCMRJHLOGGFW-GFCCVEGCSA-N 1 0 384.322 1.722 20 0 GDADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000571148264 651066773 /nfs/dbraw/zinc/06/67/73/651066773.db2.gz NSNRWSQBEVVRKZ-LLVKDONJSA-N 1 0 377.436 1.394 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1Br ZINC000571340647 651073797 /nfs/dbraw/zinc/07/37/97/651073797.db2.gz JBQWDQXEXIWAGL-GXSJLCMTSA-N 1 0 390.303 1.908 20 0 GDADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571463267 651077399 /nfs/dbraw/zinc/07/73/99/651077399.db2.gz BIOBYUIEVWTYNL-IVMMDQJWSA-N 1 0 394.313 1.788 20 0 GDADRO [NH3+]Cc1ccc(CNC(=O)NCCn2cc(Br)ccc2=O)cc1 ZINC000571519560 651078888 /nfs/dbraw/zinc/07/88/88/651078888.db2.gz LYVFKTQTTNEQFE-UHFFFAOYSA-N 1 0 379.258 1.569 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000571580694 651079726 /nfs/dbraw/zinc/07/97/26/651079726.db2.gz ACTKCHXXGJXJJW-UHFFFAOYSA-N 1 0 386.290 1.068 20 0 GDADRO Cc1c([C@@H](C)NC[C@@H]2C[NH2+]CCN2C)nnn1-c1cccc(Br)c1 ZINC000571788975 651082408 /nfs/dbraw/zinc/08/24/08/651082408.db2.gz HZZLTMBBZQSDHX-WBMJQRKESA-N 1 0 393.333 1.892 20 0 GDADRO CC[NH+]1CCC(CNC(=O)C(=O)NCc2sccc2Br)CC1 ZINC000572065105 651089245 /nfs/dbraw/zinc/08/92/45/651089245.db2.gz VYZNSMGJBRJOPT-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCn1cc(Br)cn1 ZINC000572073747 651089661 /nfs/dbraw/zinc/08/96/61/651089661.db2.gz ONDDEWYCGKRJOZ-AWEZNQCLSA-N 1 0 388.310 1.398 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000572122197 651091095 /nfs/dbraw/zinc/09/10/95/651091095.db2.gz ZPTVGKGZJOVQTA-ZETOZRRWSA-N 1 0 389.315 1.726 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC[C@@H]1CCOC1 ZINC000572236855 651092565 /nfs/dbraw/zinc/09/25/65/651092565.db2.gz BNUUUOBCLWANRQ-OAHLLOKOSA-N 1 0 389.539 1.660 20 0 GDADRO CC(C)CC[C@@H](O)C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000572235899 651092593 /nfs/dbraw/zinc/09/25/93/651092593.db2.gz NNOFIJYMLZXWCZ-CQSZACIVSA-N 1 0 376.544 1.656 20 0 GDADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCSCC(F)(F)F ZINC000572404683 651096377 /nfs/dbraw/zinc/09/63/77/651096377.db2.gz UOERXGUYDYCHDP-ZDUSSCGKSA-N 1 0 375.416 1.483 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(C)s1 ZINC000572705535 651102949 /nfs/dbraw/zinc/10/29/49/651102949.db2.gz QUZCDFCRKGKTKX-GXTWGEPZSA-N 1 0 388.559 1.555 20 0 GDADRO CN(C)S(=O)(=O)CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000572776699 651105798 /nfs/dbraw/zinc/10/57/98/651105798.db2.gz ULARJCGBMMUOBH-CQSZACIVSA-N 1 0 376.910 1.133 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1OC ZINC000572959803 651464409 /nfs/dbraw/zinc/46/44/09/651464409.db2.gz CJHNBHBHQTXQNQ-QWRGUYRKSA-N 1 0 390.889 1.883 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572961947 651464661 /nfs/dbraw/zinc/46/46/61/651464661.db2.gz AUWGUTJJYFQQFB-MNOVXSKESA-N 1 0 379.262 1.349 20 0 GDADRO C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000573197872 651471061 /nfs/dbraw/zinc/47/10/61/651471061.db2.gz JSHAVWNMOGGMDP-MNOVXSKESA-N 1 0 379.935 1.465 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C[C@@H]1O ZINC000573289199 651474912 /nfs/dbraw/zinc/47/49/12/651474912.db2.gz USECAKCWPUUEIE-DCGLDWPTSA-N 1 0 381.885 1.402 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)C2)nn1 ZINC000573310727 651475669 /nfs/dbraw/zinc/47/56/69/651475669.db2.gz RWQGHYMGLBABDG-ZDUSSCGKSA-N 1 0 387.868 1.696 20 0 GDADRO O=C1NCC[C@@]12CCC[N@H+]2C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000573383664 651476872 /nfs/dbraw/zinc/47/68/72/651476872.db2.gz CBUAJYSTFXKZEM-BBRMVZONSA-N 1 0 387.249 1.682 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000573488722 651480884 /nfs/dbraw/zinc/48/08/84/651480884.db2.gz BZHIXWWJESVPSY-TVQRCGJNSA-N 1 0 388.693 1.833 20 0 GDADRO COc1cc(Br)c(NC(=O)c2cn(CCC[NH3+])nn2)cc1OC ZINC000573711884 651492609 /nfs/dbraw/zinc/49/26/09/651492609.db2.gz OMSRHCZKEABZMS-UHFFFAOYSA-N 1 0 384.234 1.659 20 0 GDADRO NS(=O)(=O)c1cc(Br)cnc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000574230983 651525075 /nfs/dbraw/zinc/52/50/75/651525075.db2.gz XOCGRTZUOLFGTC-LBPRGKRZSA-N 1 0 389.319 1.920 20 0 GDADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCOc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000574393176 651538015 /nfs/dbraw/zinc/53/80/15/651538015.db2.gz QAHYUKNUJMMGPR-FMKPAKJESA-N 1 0 387.318 1.888 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000574398532 651538612 /nfs/dbraw/zinc/53/86/12/651538612.db2.gz BHRYFTVTNWGDMA-VHSXEESVSA-N 1 0 375.878 1.678 20 0 GDADRO OC[C@H](Cc1cccnc1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000574400380 651539055 /nfs/dbraw/zinc/53/90/55/651539055.db2.gz PVDCDVZMSDIYKX-JKSUJKDBSA-N 1 0 399.260 1.916 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000574442793 651542902 /nfs/dbraw/zinc/54/29/02/651542902.db2.gz DJRQYFCQGQDNTK-NSHDSACASA-N 1 0 398.276 1.670 20 0 GDADRO CN1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)[C@H](C[NH3+])C1 ZINC000574620373 651553340 /nfs/dbraw/zinc/55/33/40/651553340.db2.gz DVHSXDKBFZNZPG-CYBMUJFWSA-N 1 0 393.289 1.741 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NCC2CC[NH2+]CC2)cc1Br ZINC000574623760 651553973 /nfs/dbraw/zinc/55/39/73/651553973.db2.gz UBXHORFZMFMEGQ-LLVKDONJSA-N 1 0 398.301 1.751 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000574637007 651555504 /nfs/dbraw/zinc/55/55/04/651555504.db2.gz ORZDDXPKRXWRRQ-LLVKDONJSA-N 1 0 379.935 1.623 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CSC[C@H]1C(=O)Nc1cccc(C)c1 ZINC000574679449 651559406 /nfs/dbraw/zinc/55/94/06/651559406.db2.gz OPTDXTGYEVFWPS-INIZCTEOSA-N 1 0 385.555 1.980 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3cc(F)c(Br)c(F)c3)CCN2C1=O ZINC000574824465 651572790 /nfs/dbraw/zinc/57/27/90/651572790.db2.gz XMMNBSCDOHYGIK-KCJUWKMLSA-N 1 0 389.200 1.503 20 0 GDADRO Cc1ccc(NC(=O)CC[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)nc1 ZINC000575046308 651578972 /nfs/dbraw/zinc/57/89/72/651578972.db2.gz KCVQYBUXQRERHH-CYBMUJFWSA-N 1 0 383.495 1.205 20 0 GDADRO C[NH+]1CCC(N(CCO)Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000575166699 651587145 /nfs/dbraw/zinc/58/71/45/651587145.db2.gz DSBFSFHVCUBSBD-UHFFFAOYSA-N 1 0 394.317 1.918 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC[N@@H+](C2CCC2)C1 ZINC000575854341 651608280 /nfs/dbraw/zinc/60/82/80/651608280.db2.gz MQASGDGWPAWBMJ-LBPRGKRZSA-N 1 0 380.436 1.940 20 0 GDADRO OC[C@H](C[NH2+]C[C@H](O)Cn1cccn1)Cc1ccc(F)c(Br)c1 ZINC000575869107 651610254 /nfs/dbraw/zinc/61/02/54/651610254.db2.gz XZWCJSJDEAWOCR-KBPBESRZSA-N 1 0 386.265 1.586 20 0 GDADRO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576107371 651629721 /nfs/dbraw/zinc/62/97/21/651629721.db2.gz LEPRDXPEXQZXRR-TXEJJXNPSA-N 1 0 379.404 1.643 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000576145211 651640076 /nfs/dbraw/zinc/64/00/76/651640076.db2.gz JBHREVHNTCTDPV-LLVKDONJSA-N 1 0 379.935 1.575 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000576569334 651671947 /nfs/dbraw/zinc/67/19/47/651671947.db2.gz OUAFGYVIFUUFCO-ZIAGYGMSSA-N 1 0 397.317 1.642 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000576745293 651683192 /nfs/dbraw/zinc/68/31/92/651683192.db2.gz USJWWPHYZRFSPL-JTQLQIEISA-N 1 0 375.288 1.595 20 0 GDADRO O=C(c1ccc(Br)o1)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577107434 651706812 /nfs/dbraw/zinc/70/68/12/651706812.db2.gz ZGWMTFPYUYTFSG-RYUDHWBXSA-N 1 0 397.273 1.402 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1OC ZINC000577108220 651706872 /nfs/dbraw/zinc/70/68/72/651706872.db2.gz XSGDVBQVCDCBIT-MFKMUULPSA-N 1 0 390.889 1.931 20 0 GDADRO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000577231413 651718030 /nfs/dbraw/zinc/71/80/30/651718030.db2.gz KARXDJMGJQURKX-AAEUAGOBSA-N 1 0 383.857 1.327 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000577368231 651726266 /nfs/dbraw/zinc/72/62/66/651726266.db2.gz IHSRTPMPVFTODM-HQRZJTNHSA-N 1 0 380.286 1.617 20 0 GDADRO C[N@H+](C[C@@H](O)CN[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000577484295 651731964 /nfs/dbraw/zinc/73/19/64/651731964.db2.gz NWGXAPVLNUNHFE-JKSUJKDBSA-N 1 0 382.302 1.599 20 0 GDADRO CO[C@@H]1CCN(C(=O)COc2ccc(F)cc2Br)[C@H](C[NH3+])C1 ZINC000577601520 651740796 /nfs/dbraw/zinc/74/07/96/651740796.db2.gz QLARWFCCNIBMDC-NWDGAFQWSA-N 1 0 375.238 1.932 20 0 GDADRO O[C@@H](C[NH2+]CCC1(O)CCOCC1)COc1cc(F)cc(Br)c1 ZINC000577623916 651742808 /nfs/dbraw/zinc/74/28/08/651742808.db2.gz HFGUVAHGXMFTIF-AWEZNQCLSA-N 1 0 392.265 1.849 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CSCc3ccc(Cl)cc3Cl)CCN2C1=O ZINC000577628083 651744106 /nfs/dbraw/zinc/74/41/06/651744106.db2.gz QJIRUSLCLCMHBW-OCCSQVGLSA-N 1 0 388.320 1.997 20 0 GDADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000577740885 651749596 /nfs/dbraw/zinc/74/95/96/651749596.db2.gz BASCAXNOWLAVOT-LSDHHAIUSA-N 1 0 385.555 1.940 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1Br ZINC000577745960 651749980 /nfs/dbraw/zinc/74/99/80/651749980.db2.gz CSCHDPQJILYANF-ZWNOBZJWSA-N 1 0 384.274 1.503 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000577843007 651757357 /nfs/dbraw/zinc/75/73/57/651757357.db2.gz UWLAHMFJIUTJAM-OAHLLOKOSA-N 1 0 376.906 1.089 20 0 GDADRO O[C@@H](C[NH2+]C[C@@H]1COCCO1)COc1ccc(Cl)cc1Br ZINC000577859308 651759111 /nfs/dbraw/zinc/75/91/11/651759111.db2.gz SVGULYLXEYDMHZ-NWDGAFQWSA-N 1 0 380.666 1.847 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000577872408 651760542 /nfs/dbraw/zinc/76/05/42/651760542.db2.gz IVRXBGLKBPPQHX-NXEZZACHSA-N 1 0 380.297 1.515 20 0 GDADRO O=C(CNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[NH2+]CC1 ZINC000578186004 651778983 /nfs/dbraw/zinc/77/89/83/651778983.db2.gz DZLJMGUJNIESTG-UHFFFAOYSA-N 1 0 382.251 1.341 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000578199905 651780039 /nfs/dbraw/zinc/78/00/39/651780039.db2.gz ZXWFDZXIUUKJEV-UHFFFAOYSA-N 1 0 384.274 1.984 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000578228166 651782770 /nfs/dbraw/zinc/78/27/70/651782770.db2.gz PVPDWGPWRYEIQN-LLVKDONJSA-N 1 0 386.290 1.183 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)O1 ZINC000578232180 651782828 /nfs/dbraw/zinc/78/28/28/651782828.db2.gz KOOFFHGMPXVKOS-ZOWXZIJZSA-N 1 0 391.295 1.959 20 0 GDADRO CN(CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)C(=O)c1ccc(Br)o1 ZINC000578321095 651789574 /nfs/dbraw/zinc/78/95/74/651789574.db2.gz UOHSJMSRJUQIPR-CYBMUJFWSA-N 1 0 398.301 1.962 20 0 GDADRO Cc1cc(N2CC[C@@H](NC[C@@H](O)C[N@@H+](C)C3CC3)C2=O)ccc1Br ZINC000578351435 651791915 /nfs/dbraw/zinc/79/19/15/651791915.db2.gz ZLFHEVHTJQNRDB-NVXWUHKLSA-N 1 0 396.329 1.908 20 0 GDADRO [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NCc1n[nH]cc1Br ZINC000578490453 651794305 /nfs/dbraw/zinc/79/43/05/651794305.db2.gz LBGSVLITFOBFOO-UHFFFAOYSA-N 1 0 394.273 1.166 20 0 GDADRO CC(C)OC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000578499964 651795456 /nfs/dbraw/zinc/79/54/56/651795456.db2.gz FJCKDTUVFGZGNO-NSHDSACASA-N 1 0 385.313 1.647 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000578787092 651814618 /nfs/dbraw/zinc/81/46/18/651814618.db2.gz BUYLFZYCFJQCBT-AWEZNQCLSA-N 1 0 393.278 1.971 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000578937637 651826237 /nfs/dbraw/zinc/82/62/37/651826237.db2.gz COUYYKAYWSIVAZ-IIAWOOMASA-N 1 0 390.933 1.696 20 0 GDADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)C1 ZINC000579009150 651832776 /nfs/dbraw/zinc/83/27/76/651832776.db2.gz MXUALGJNYARDOL-NSHDSACASA-N 1 0 376.862 1.508 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)C(F)F ZINC000579111473 651838733 /nfs/dbraw/zinc/83/87/33/651838733.db2.gz IZCRGGLBGCMZBP-NEPJUHHUSA-N 1 0 377.844 1.954 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000579329438 651850730 /nfs/dbraw/zinc/85/07/30/651850730.db2.gz KTHKIZYOIPYBBL-UHFFFAOYSA-N 1 0 394.273 1.440 20 0 GDADRO C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC[NH2+]1 ZINC000579342870 651852003 /nfs/dbraw/zinc/85/20/03/651852003.db2.gz MQBXGYXFPKLJJS-CQSZACIVSA-N 1 0 377.919 1.377 20 0 GDADRO COC[C@@H](C)CS(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000579851861 651880507 /nfs/dbraw/zinc/88/05/07/651880507.db2.gz TVGSISPNQBFJSX-WBVHZDCISA-N 1 0 378.579 1.792 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000579986855 651891130 /nfs/dbraw/zinc/89/11/30/651891130.db2.gz JXNHWZVTXBFMCO-SECBINFHSA-N 1 0 380.392 1.327 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)c1ccc(Br)cn1 ZINC000580116153 651898051 /nfs/dbraw/zinc/89/80/51/651898051.db2.gz GNUDDQVCOLMHGM-VXGBXAGGSA-N 1 0 383.290 1.574 20 0 GDADRO CC1CC[NH+](CCNC(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000580285918 651909370 /nfs/dbraw/zinc/90/93/70/651909370.db2.gz LBZDPUSLLUGMRE-UHFFFAOYSA-N 1 0 385.306 1.642 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000580552675 651925148 /nfs/dbraw/zinc/92/51/48/651925148.db2.gz RTNKDEHHNMVTNJ-GFCCVEGCSA-N 1 0 387.267 1.306 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000580634404 651930226 /nfs/dbraw/zinc/93/02/26/651930226.db2.gz NJWJVMYEJAHMKZ-UHFFFAOYSA-N 1 0 382.302 1.838 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(F)cc(Br)c3F)C[C@H]12 ZINC000580821730 651941510 /nfs/dbraw/zinc/94/15/10/651941510.db2.gz WYMWCKPMUOIMQO-OVYXKVPISA-N 1 0 388.212 1.862 20 0 GDADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)CN1CCOCC1 ZINC000580947323 651949574 /nfs/dbraw/zinc/94/95/74/651949574.db2.gz QRLGSVUVJGFPMS-RDJZCZTQSA-N 1 0 384.318 1.311 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1CCCN1C ZINC000581007090 651954099 /nfs/dbraw/zinc/95/40/99/651954099.db2.gz FFCTWTSZPGRVAC-HNNXBMFYSA-N 1 0 388.555 1.328 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NC1(Cc2ccccc2Br)CC1 ZINC000582536524 652003332 /nfs/dbraw/zinc/00/33/32/652003332.db2.gz WJFONUMXWZITLD-CQSZACIVSA-N 1 0 381.318 1.727 20 0 GDADRO O=C(CC[NH2+]C[C@@H](O)CN1CCOCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000582660728 652009772 /nfs/dbraw/zinc/00/97/72/652009772.db2.gz JRPPYSMUBBRNRB-OAHLLOKOSA-N 1 0 376.284 1.605 20 0 GDADRO CC1(C)CN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC[NH2+]1 ZINC000582964856 652022937 /nfs/dbraw/zinc/02/29/37/652022937.db2.gz DCMQFMNTWVKMNS-UHFFFAOYSA-N 1 0 379.404 1.194 20 0 GDADRO NS(=O)(=O)Cc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1 ZINC000583203303 652030024 /nfs/dbraw/zinc/03/00/24/652030024.db2.gz BJEPGDIZTDUJQC-UHFFFAOYSA-N 1 0 380.495 1.651 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000583263445 652032988 /nfs/dbraw/zinc/03/29/88/652032988.db2.gz HYXVNIUAKIWIML-TUAOUCFPSA-N 1 0 387.311 1.930 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000583312833 652034236 /nfs/dbraw/zinc/03/42/36/652034236.db2.gz QYQAWRYCDRSKDD-UHFFFAOYSA-N 1 0 398.276 1.589 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(Br)cc2C(N)=O)CC1 ZINC000583399121 652037773 /nfs/dbraw/zinc/03/77/73/652037773.db2.gz YMENBPPPDLNGOC-UHFFFAOYSA-N 1 0 398.301 1.916 20 0 GDADRO OC[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1O ZINC000583463658 652040142 /nfs/dbraw/zinc/04/01/42/652040142.db2.gz LAXYWJYJDHOEOT-JKOKRWQUSA-N 1 0 394.693 1.517 20 0 GDADRO OC[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1O ZINC000583463659 652040281 /nfs/dbraw/zinc/04/02/81/652040281.db2.gz LAXYWJYJDHOEOT-SUHUHFCYSA-N 1 0 394.693 1.517 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(Br)c2C)C1 ZINC000583703989 652045779 /nfs/dbraw/zinc/04/57/79/652045779.db2.gz QNFKJSZKGNQVBL-CQSZACIVSA-N 1 0 398.301 1.211 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)NC2C[NH2+]C2)c1 ZINC000591294572 652159309 /nfs/dbraw/zinc/15/93/09/652159309.db2.gz DQVVTHIKELDIAM-UHFFFAOYSA-N 1 0 375.166 1.171 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000591302089 652160346 /nfs/dbraw/zinc/16/03/46/652160346.db2.gz FSXJBKXZPVQXIV-UHFFFAOYSA-N 1 0 390.278 1.151 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])c(Br)cc1F ZINC000591308894 652161683 /nfs/dbraw/zinc/16/16/83/652161683.db2.gz JDTVQVAWYOGISH-BQBZGAKWSA-N 1 0 390.209 1.165 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CSc1nnnn1CC(F)(F)F ZINC000592030320 652168437 /nfs/dbraw/zinc/16/84/37/652168437.db2.gz DQMDLPNJLKHLPE-QWRGUYRKSA-N 1 0 380.440 1.564 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCCOc1cccc(Br)c1 ZINC000592548036 652193541 /nfs/dbraw/zinc/19/35/41/652193541.db2.gz LHFSJHHABDBMKQ-HNNXBMFYSA-N 1 0 399.285 1.972 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCOc1ccccc1Br ZINC000592550455 652194458 /nfs/dbraw/zinc/19/44/58/652194458.db2.gz GNJRFQMTAJOMLV-CYBMUJFWSA-N 1 0 385.258 1.582 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H](C)Oc1ccccc1Br ZINC000592557062 652195607 /nfs/dbraw/zinc/19/56/07/652195607.db2.gz YDLVZJYVZGKLNQ-DGCLKSJQSA-N 1 0 385.258 1.580 20 0 GDADRO COc1ccc(OCCCS(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000594464970 652296513 /nfs/dbraw/zinc/29/65/13/652296513.db2.gz BYLBFNDTYOGGTQ-IRXDYDNUSA-N 1 0 388.555 1.771 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c1F ZINC000594470493 652300847 /nfs/dbraw/zinc/30/08/47/652300847.db2.gz INSDRMXFUJIVIR-UHFFFAOYSA-N 1 0 376.837 1.806 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N2CC[NH+](C(C)(C)CC)CC2)CC1 ZINC000594475377 652303088 /nfs/dbraw/zinc/30/30/88/652303088.db2.gz QWXDERGMIVWUCR-UHFFFAOYSA-N 1 0 375.535 1.313 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1F ZINC000594532752 652311305 /nfs/dbraw/zinc/31/13/05/652311305.db2.gz UFRNAXLFYWSZFO-NXEZZACHSA-N 1 0 378.853 1.871 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000594659003 652342929 /nfs/dbraw/zinc/34/29/29/652342929.db2.gz GBONQFOLUAZLCK-CYBMUJFWSA-N 1 0 379.592 1.473 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)CCN2C1=O ZINC000594875605 652384599 /nfs/dbraw/zinc/38/45/99/652384599.db2.gz MKFOMZFPGKEAGJ-NXEZZACHSA-N 1 0 398.286 1.304 20 0 GDADRO CSc1cc(Br)ccc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594879366 652385259 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GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)COc1ccc(Br)cn1 ZINC000632025838 653291668 /nfs/dbraw/zinc/29/16/68/653291668.db2.gz RQQAVEYFHUXOLL-RBSFLKMASA-N 1 0 398.301 1.933 20 0 GDADRO CO[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000632109314 653306460 /nfs/dbraw/zinc/30/64/60/653306460.db2.gz BGSGSWBLTHBWNI-KRWDZBQOSA-N 1 0 389.949 1.584 20 0 GDADRO C[NH+](C)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C[C@@H]1O ZINC000632350405 653342921 /nfs/dbraw/zinc/34/29/21/653342921.db2.gz KJZMBGQETRHELJ-RYUDHWBXSA-N 1 0 388.358 1.636 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000632358206 653344732 /nfs/dbraw/zinc/34/47/32/653344732.db2.gz KGHMISXMIQBYAV-SECBINFHSA-N 1 0 390.307 1.276 20 0 GDADRO C[NH+](C)CC1CN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)C1 ZINC000632381694 653349906 /nfs/dbraw/zinc/34/99/06/653349906.db2.gz NBISRNQZVVDMNT-UHFFFAOYSA-N 1 0 391.287 1.402 20 0 GDADRO O=S(=O)(c1onc(C2CC2)c1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000632572837 653377799 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C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2F)C1 ZINC000633104938 653427625 /nfs/dbraw/zinc/42/76/25/653427625.db2.gz JGQDJUVGHPVRCF-GHMZBOCLSA-N 1 0 386.265 1.742 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000633113230 653428584 /nfs/dbraw/zinc/42/85/84/653428584.db2.gz NWORVJMYHYFKBI-SWLSCSKDSA-N 1 0 398.276 1.757 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N1CCC(C)([NH3+])CC1)C2 ZINC000633112294 653428602 /nfs/dbraw/zinc/42/86/02/653428602.db2.gz DRBGPEFVUBDZOC-UHFFFAOYSA-N 1 0 394.313 1.982 20 0 GDADRO CC[NH+](CC)CCCC1CCN(C(=O)NCCCS(=O)(=O)NC)CC1 ZINC000633472821 653449271 /nfs/dbraw/zinc/44/92/71/653449271.db2.gz IDILKHDVYXUFIJ-UHFFFAOYSA-N 1 0 376.567 1.469 20 0 GDADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000634029417 653485177 /nfs/dbraw/zinc/48/51/77/653485177.db2.gz MNRUWTIGFPPFKH-QZWWFDLISA-N 1 0 376.298 1.593 20 0 GDADRO NC(=O)c1ccc(Br)cc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000634537786 653494290 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/nfs/dbraw/zinc/53/98/48/653539848.db2.gz FRAFNAHTDIEPGD-UHFFFAOYSA-N 1 0 394.273 1.444 20 0 GDADRO CC(C)[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)N1CCCS1(=O)=O ZINC000638559130 653539895 /nfs/dbraw/zinc/53/98/95/653539895.db2.gz SKDODOJAWGEJSZ-RWMBFGLXSA-N 1 0 385.452 1.032 20 0 GDADRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000638565089 653540261 /nfs/dbraw/zinc/54/02/61/653540261.db2.gz YKQFXALCTVVSRL-ZDUSSCGKSA-N 1 0 382.511 1.280 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000638579152 653540473 /nfs/dbraw/zinc/54/04/73/653540473.db2.gz MOMSCQJILYUAHQ-MRXNPFEDSA-N 1 0 390.311 1.719 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)C2)s1 ZINC000638650690 653542001 /nfs/dbraw/zinc/54/20/01/653542001.db2.gz CCIGCTICGGQPRB-SNPRPXQTSA-N 1 0 385.555 1.714 20 0 GDADRO [NH3+]CCCOCCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638656355 653542185 /nfs/dbraw/zinc/54/21/85/653542185.db2.gz CIOLCSDNDCNWDF-CQSZACIVSA-N 1 0 384.274 1.284 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C[NH2+]1 ZINC000638654771 653542201 /nfs/dbraw/zinc/54/22/01/653542201.db2.gz GLKHSBFTIRPSCG-PWSUYJOCSA-N 1 0 394.269 1.692 20 0 GDADRO CCS(=O)(=O)c1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)s1 ZINC000639118670 653546606 /nfs/dbraw/zinc/54/66/06/653546606.db2.gz PXGXGZNOHAKTIG-UHFFFAOYSA-N 1 0 394.584 1.882 20 0 GDADRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(S(N)(=O)=O)c(Br)c3)[C@@H]2C1 ZINC000639278265 653549082 /nfs/dbraw/zinc/54/90/82/653549082.db2.gz DLDUQXFVVZZICS-GXTWGEPZSA-N 1 0 388.331 1.623 20 0 GDADRO CC[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)C(=O)NCc1cccs1 ZINC000639286734 653549330 /nfs/dbraw/zinc/54/93/30/653549330.db2.gz YHPGNUHTNJKEQR-AWEZNQCLSA-N 1 0 387.571 1.983 20 0 GDADRO NS(=O)(=O)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000639308008 653549659 /nfs/dbraw/zinc/54/96/59/653549659.db2.gz JUIUNKMEYLYROP-HNNXBMFYSA-N 1 0 381.523 1.252 20 0 GDADRO O=C(CC[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1)N1CCOCC1 ZINC000639773979 653553486 /nfs/dbraw/zinc/55/34/86/653553486.db2.gz RUSIJXUZHSDTFG-AWEZNQCLSA-N 1 0 384.274 1.546 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640294993 653557384 /nfs/dbraw/zinc/55/73/84/653557384.db2.gz NYZRTFAYZQPPQQ-JTQLQIEISA-N 1 0 385.818 2.577 20 0 GDADRO O=C(NCc1cn(Cc2ccc(F)c(Br)c2)nn1)C1CC[NH2+]CC1 ZINC000640934804 653560966 /nfs/dbraw/zinc/56/09/66/653560966.db2.gz DEEGHFQJGSDFRZ-UHFFFAOYSA-N 1 0 396.264 1.844 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(Cc2cn3cc(Br)ccc3n2)nn1 ZINC000640957202 653561122 /nfs/dbraw/zinc/56/11/22/653561122.db2.gz ADFDQLYYLVLZSN-LBPRGKRZSA-N 1 0 379.262 1.643 20 0 GDADRO CN(CC1CC1)C(=O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640983544 653561738 /nfs/dbraw/zinc/56/17/38/653561738.db2.gz WEILLUBLGXOPIT-INIZCTEOSA-N 1 0 378.274 1.957 20 0 GDADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641511014 653570610 /nfs/dbraw/zinc/57/06/10/653570610.db2.gz KXHHRLUHZDWEHO-MWLCHTKSSA-N 1 0 388.291 1.205 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000641649714 653574036 /nfs/dbraw/zinc/57/40/36/653574036.db2.gz DJPNBAPXNNQDIX-UHFFFAOYSA-N 1 0 380.436 1.406 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000641649725 653574082 /nfs/dbraw/zinc/57/40/82/653574082.db2.gz DWXZIXCBDWBNFC-UHFFFAOYSA-N 1 0 377.913 1.926 20 0 GDADRO C[NH+](C)CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000641921977 653576053 /nfs/dbraw/zinc/57/60/53/653576053.db2.gz AOPVGOCZSGXEGH-UHFFFAOYSA-N 1 0 398.710 1.059 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642105598 653577053 /nfs/dbraw/zinc/57/70/53/653577053.db2.gz MAKJNMZLLCENMA-SWLSCSKDSA-N 1 0 382.302 1.755 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC[C@@H]1[NH3+] ZINC000642355264 653578254 /nfs/dbraw/zinc/57/82/54/653578254.db2.gz UBQGDPVBZSLJTG-AEJSXWLSSA-N 1 0 378.420 1.925 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000642780810 653579241 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C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)[C@@H]1CC[NH3+] ZINC000653238799 653908897 /nfs/dbraw/zinc/90/88/97/653908897.db2.gz SKGDWNMTNSFTJJ-WDEREUQCSA-N 1 0 379.935 1.656 20 0 GDADRO C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)[C@H]1CC[NH3+] ZINC000653238797 653908915 /nfs/dbraw/zinc/90/89/15/653908915.db2.gz SKGDWNMTNSFTJJ-MNOVXSKESA-N 1 0 379.935 1.656 20 0 GDADRO CO[C@H](C(=O)NCCCN1CC[NH+](C)CC1)c1ccccc1Br ZINC000654403849 653935532 /nfs/dbraw/zinc/93/55/32/653935532.db2.gz JTVNQPJEGUJDSG-INIZCTEOSA-N 1 0 384.318 1.890 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654501019 653939091 /nfs/dbraw/zinc/93/90/91/653939091.db2.gz GNARDDUGMCSOGH-UONOGXRCSA-N 1 0 386.543 1.343 20 0 GDADRO CCN1CCC([NH+]2CCC(C(=O)NCc3n[nH]cc3Br)CC2)CC1 ZINC000654725316 653944274 /nfs/dbraw/zinc/94/42/74/653944274.db2.gz GCFINIDEQPAKLK-UHFFFAOYSA-N 1 0 398.349 1.985 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654886027 653950255 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O=C(NC[C@H](O)COc1ccccc1Br)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655440269 653969473 /nfs/dbraw/zinc/96/94/73/653969473.db2.gz MGSWRFVQNYYXKO-AHIWAGSCSA-N 1 0 383.286 1.695 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCOc2cccc(Br)c2C1 ZINC000655504038 653971576 /nfs/dbraw/zinc/97/15/76/653971576.db2.gz KRNQLTDDHLAMER-CQSZACIVSA-N 1 0 396.285 1.428 20 0 GDADRO [NH3+]C[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(F)(F)F ZINC000655507756 653972365 /nfs/dbraw/zinc/97/23/65/653972365.db2.gz FDXQYXHFSFOKSS-VIFPVBQESA-N 1 0 394.147 1.051 20 0 GDADRO [NH3+]C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C(F)(F)F ZINC000655509072 653972737 /nfs/dbraw/zinc/97/27/37/653972737.db2.gz IZTLCBWOEWKGRT-KCJUWKMLSA-N 1 0 394.191 1.808 20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000655553995 653975701 /nfs/dbraw/zinc/97/57/01/653975701.db2.gz JWIPVSZVRLUWMD-AWEZNQCLSA-N 1 0 377.304 1.244 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655956862 653995971 /nfs/dbraw/zinc/99/59/71/653995971.db2.gz GXXXYIKIWHOQDC-QMMMGPOBSA-N 1 0 395.794 1.746 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655959250 653996636 /nfs/dbraw/zinc/99/66/36/653996636.db2.gz TWBSZLFJVRMCPT-SECBINFHSA-N 1 0 384.152 1.402 20 0 GDADRO O[C@@H]1C[C@H]2CN(Cc3c(Br)cncc3Br)CC[N@@H+]2C1 ZINC000656273409 654012738 /nfs/dbraw/zinc/01/27/38/654012738.db2.gz DNWJATQVPCKAJK-VHSXEESVSA-N 1 0 391.107 1.857 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](Cn2cc(Cn3cc(Br)cn3)nn2)C1 ZINC000656448945 654030758 /nfs/dbraw/zinc/03/07/58/654030758.db2.gz QXUVZEUCTZTAMW-HNNXBMFYSA-N 1 0 383.294 1.642 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)C1 ZINC000656889816 654065127 /nfs/dbraw/zinc/06/51/27/654065127.db2.gz ITXCCTSKORPAII-CQSZACIVSA-N 1 0 385.555 1.663 20 0 GDADRO C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000656900173 654068214 /nfs/dbraw/zinc/06/82/14/654068214.db2.gz VELPLMSBOKBVON-LLVKDONJSA-N 1 0 392.319 1.310 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ncccc1Br ZINC000656961615 654078787 /nfs/dbraw/zinc/07/87/87/654078787.db2.gz NDCNIPOOXMRZGU-LBPRGKRZSA-N 1 0 391.335 1.148 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)C[C@H](OC)C2CCCCC2)CC1 ZINC000656964379 654079450 /nfs/dbraw/zinc/07/94/50/654079450.db2.gz DAZITFWWGSTHTF-WMZOPIPTSA-N 1 0 375.579 1.527 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NC(C)(C)C[NH+]3CCCC3)cc2C1 ZINC000657008555 654095313 /nfs/dbraw/zinc/09/53/13/654095313.db2.gz SANJTOJEBJFSCM-UHFFFAOYSA-N 1 0 385.555 1.805 20 0 GDADRO Cc1cc(C(N)=O)cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000657012367 654096870 /nfs/dbraw/zinc/09/68/70/654096870.db2.gz RLFDBSFXPRVSTP-UHFFFAOYSA-N 1 0 381.523 1.908 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1F ZINC000657091434 654108213 /nfs/dbraw/zinc/10/82/13/654108213.db2.gz NMCOJYINVBLVHJ-LLVKDONJSA-N 1 0 381.495 1.206 20 0 GDADRO C[C@@H]1Cc2cc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)cc(Cl)c2O1 ZINC000657091232 654108214 /nfs/dbraw/zinc/10/82/14/654108214.db2.gz KNGMBXZBAWDAAC-CYBMUJFWSA-N 1 0 389.949 1.825 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657679007 654155826 /nfs/dbraw/zinc/15/58/26/654155826.db2.gz MJNJQOIYHWYZMK-UHFFFAOYSA-N 1 0 390.253 1.611 20 0 GDADRO CSc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000657712024 654158173 /nfs/dbraw/zinc/15/81/73/654158173.db2.gz MSBXTYBIVNWZFE-LBPRGKRZSA-N 1 0 384.933 1.753 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c2ncccc12 ZINC000657770216 654163237 /nfs/dbraw/zinc/16/32/37/654163237.db2.gz LGQSXKRKELEROT-UHFFFAOYSA-N 1 0 379.258 1.956 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)ccc1S(C)(=O)=O ZINC000658078834 654181158 /nfs/dbraw/zinc/18/11/58/654181158.db2.gz UVPMEIFJEFBCEM-ZDUSSCGKSA-N 1 0 389.539 1.964 20 0 GDADRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000658298175 654183400 /nfs/dbraw/zinc/18/34/00/654183400.db2.gz DIQISNKRCKJIHN-GFCCVEGCSA-N 1 0 375.512 1.717 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CCCO1 ZINC000658382542 654188004 /nfs/dbraw/zinc/18/80/04/654188004.db2.gz OWEKKIOAVHDJMC-JTQLQIEISA-N 1 0 388.795 1.977 20 0 GDADRO O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000658407151 654190761 /nfs/dbraw/zinc/19/07/61/654190761.db2.gz XXMZQNBEFHZSIZ-UHFFFAOYSA-N 1 0 377.388 1.009 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1F ZINC000658408505 654191135 /nfs/dbraw/zinc/19/11/35/654191135.db2.gz UGBJIMLMHCJFGS-DGCLKSJQSA-N 1 0 397.469 1.036 20 0 GDADRO O=C(Nc1ccc(Br)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658806387 654206326 /nfs/dbraw/zinc/20/63/26/654206326.db2.gz FHYOHJJLWZFPAO-HNNXBMFYSA-N 1 0 396.285 1.757 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000659113668 654215599 /nfs/dbraw/zinc/21/55/99/654215599.db2.gz PVPYGGUXHJUJFW-VIFPVBQESA-N 1 0 378.256 1.681 20 0 GDADRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659337017 654223455 /nfs/dbraw/zinc/22/34/55/654223455.db2.gz UOSZUZIQPRFCGE-ZIAGYGMSSA-N 1 0 397.317 1.988 20 0 GDADRO C[NH2+]CCc1ccccc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000659338372 654223605 /nfs/dbraw/zinc/22/36/05/654223605.db2.gz QHNPIKSIYWISNG-KBPBESRZSA-N 1 0 378.416 1.496 20 0 GDADRO [NH3+]CCn1cc(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)nn1 ZINC000659359015 654224152 /nfs/dbraw/zinc/22/41/52/654224152.db2.gz NQWUBGSCGYUSRA-UHFFFAOYSA-N 1 0 378.274 1.752 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000659615284 654229880 /nfs/dbraw/zinc/22/98/80/654229880.db2.gz YASRLXUXNHLGGC-CHHLVHLRSA-N 1 0 393.285 1.384 20 0 GDADRO CC(C)[N@H+](C)C[C@H](O)CN1CCNC(=O)[C@H]1c1ccccc1Br ZINC000660161334 654242740 /nfs/dbraw/zinc/24/27/40/654242740.db2.gz IXERNNPEQDUTOD-XJKSGUPXSA-N 1 0 384.318 1.623 20 0 GDADRO CC(C)[N@H+](C)C[C@H](O)CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000660399159 654248843 /nfs/dbraw/zinc/24/88/43/654248843.db2.gz HJHYQJNZODNMST-LBPRGKRZSA-N 1 0 381.468 1.770 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1C(F)(F)F ZINC000660569975 654254756 /nfs/dbraw/zinc/25/47/56/654254756.db2.gz DWDLBHNZHYEEON-YVECIDJPSA-N 1 0 383.436 1.230 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000660584671 654256278 /nfs/dbraw/zinc/25/62/78/654256278.db2.gz MEBARCGIWJLNEM-UHFFFAOYSA-N 1 0 386.290 1.931 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000660586399 654256341 /nfs/dbraw/zinc/25/63/41/654256341.db2.gz GWNGHNSUSLDBMN-UHFFFAOYSA-N 1 0 386.294 1.213 20 0 GDADRO O=C(CNC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2)Nc1ccccc1Br ZINC000661832994 654283999 /nfs/dbraw/zinc/28/39/99/654283999.db2.gz MBXYWCVVQBPCDB-UONOGXRCSA-N 1 0 396.285 1.397 20 0 GDADRO COc1ncc(Br)cc1CN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662245334 654290648 /nfs/dbraw/zinc/29/06/48/654290648.db2.gz TVXRMFPAIFJRII-ZDUSSCGKSA-N 1 0 397.317 1.497 20 0 GDADRO O=S(=O)(c1ccc(Cl)s1)N1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248659 654290658 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384.933 1.670 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000842184138 655357846 /nfs/dbraw/zinc/35/78/46/655357846.db2.gz QAOGQHCWGYFDIF-WCVJEAGWSA-N 1 0 383.583 1.473 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)C(=O)NCC1CC[NH2+]CC1 ZINC000842216595 655359274 /nfs/dbraw/zinc/35/92/74/655359274.db2.gz MSICOCDDJWJSMQ-UHFFFAOYSA-N 1 0 386.265 1.363 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000842231615 655359921 /nfs/dbraw/zinc/35/99/21/655359921.db2.gz AEWJJRCTXFOFCX-OAHLLOKOSA-N 1 0 396.285 1.217 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000817990121 655363633 /nfs/dbraw/zinc/36/36/33/655363633.db2.gz XHTSWQPIGLUYPT-IUODEOHRSA-N 1 0 398.301 1.138 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)c2ccccc2Br)C[C@H](C)[NH2+]1 ZINC000817993200 655363749 /nfs/dbraw/zinc/36/37/49/655363749.db2.gz CPKJOISFTNHRPT-ZOWXZIJZSA-N 1 0 398.301 1.150 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000817996247 655364080 /nfs/dbraw/zinc/36/40/80/655364080.db2.gz YAVFZTCITCJUNH-AWEZNQCLSA-N 1 0 386.290 1.009 20 0 GDADRO C[C@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)NS(=O)(=O)c1cccnc1Cl ZINC000818008045 655364326 /nfs/dbraw/zinc/36/43/26/655364326.db2.gz OAIALPOJWKGGPA-XHBSWPGZSA-N 1 0 388.921 1.235 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)/C=C/c3ccc(Br)o3)C2)nn1 ZINC000818011104 655364669 /nfs/dbraw/zinc/36/46/69/655364669.db2.gz VTLAXHUAACXDLH-FUEXJSSKSA-N 1 0 380.246 1.969 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1)NS(=O)(=O)c1cccnc1Cl ZINC000818018105 655364791 /nfs/dbraw/zinc/36/47/91/655364791.db2.gz GMHBTWBZIDVYMK-LRDDRELGSA-N 1 0 386.905 1.146 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c(Br)cc1F ZINC000842481514 655367194 /nfs/dbraw/zinc/36/71/94/655367194.db2.gz KCGFMNAQIJXILP-CPCISQLKSA-N 1 0 395.250 1.485 20 0 GDADRO O=S(=O)(N[C@H]1CCCC[NH2+]C1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842482272 655367309 /nfs/dbraw/zinc/36/73/09/655367309.db2.gz 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O=C(CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000842694983 655371561 /nfs/dbraw/zinc/37/15/61/655371561.db2.gz ORWJEGFFCUNSCO-UHFFFAOYSA-N 1 0 383.417 1.009 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000842696752 655371695 /nfs/dbraw/zinc/37/16/95/655371695.db2.gz BOQBXGSBRZHSTC-NEPJUHHUSA-N 1 0 375.516 1.313 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])C2)c(Br)cc1F ZINC000842700372 655371991 /nfs/dbraw/zinc/37/19/91/655371991.db2.gz SMYZIYZYOSXROF-ZETCQYMHSA-N 1 0 381.223 1.097 20 0 GDADRO Cc1nn2cc(S(=O)(=O)NCc3ccc(CC[NH3+])cc3)cnc2c1Cl ZINC000842701389 655372064 /nfs/dbraw/zinc/37/20/64/655372064.db2.gz DYGVFBIPSGNOME-UHFFFAOYSA-N 1 0 379.873 1.671 20 0 GDADRO CC[NH2+]CCNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000842703813 655372190 /nfs/dbraw/zinc/37/21/90/655372190.db2.gz BUJQMFKZTCLUCT-UHFFFAOYSA-N 1 0 383.239 1.263 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c(F)cc1Br ZINC000842705044 655372346 /nfs/dbraw/zinc/37/23/46/655372346.db2.gz RGOBOJCSLMRVQP-MRVPVSSYSA-N 1 0 395.250 1.405 20 0 GDADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1c(Cl)nc2ccc(Br)cn21 ZINC000842705378 655372355 /nfs/dbraw/zinc/37/23/55/655372355.db2.gz XZYWZXGTZYSNQW-SECBINFHSA-N 1 0 393.694 1.781 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)s1 ZINC000842704498 655372410 /nfs/dbraw/zinc/37/24/10/655372410.db2.gz JIMRACQQLDMKNC-ZETCQYMHSA-N 1 0 383.289 1.328 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)C[NH3+])c(Br)cc1F ZINC000842708399 655372711 /nfs/dbraw/zinc/37/27/11/655372711.db2.gz ZPWTXIKMSQKQDE-UHFFFAOYSA-N 1 0 383.239 1.390 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000842720272 655373421 /nfs/dbraw/zinc/37/34/21/655373421.db2.gz UOHOUPVDIBAEET-KCJUWKMLSA-N 1 0 381.267 1.955 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c(Br)cc1F ZINC000842723844 655373664 /nfs/dbraw/zinc/37/36/64/655373664.db2.gz IHZKDRUCICSCJG-NSHDSACASA-N 1 0 397.266 1.636 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000842725655 655373752 /nfs/dbraw/zinc/37/37/52/655373752.db2.gz FZYFJALIPRJHIR-MFKMUULPSA-N 1 0 379.404 1.983 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000842726845 655373950 /nfs/dbraw/zinc/37/39/50/655373950.db2.gz PJLKLDDEUUQBDP-BXKDBHETSA-N 1 0 391.287 1.594 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000842736835 655374511 /nfs/dbraw/zinc/37/45/11/655374511.db2.gz NROKBDFZWJETLK-QMMMGPOBSA-N 1 0 397.316 1.670 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N(C)CCC[NH3+])ccc1Br ZINC000818523053 655376103 /nfs/dbraw/zinc/37/61/03/655376103.db2.gz XGHHUUUPWPOYGJ-UHFFFAOYSA-N 1 0 378.292 1.120 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(Br)o1 ZINC000842790691 655377305 /nfs/dbraw/zinc/37/73/05/655377305.db2.gz LXWGYJVQULRPQI-SFYZADRCSA-N 1 0 381.248 1.187 20 0 GDADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C2 ZINC000842797961 655377858 /nfs/dbraw/zinc/37/78/58/655377858.db2.gz WNXBJKGHKKQIRD-UHFFFAOYSA-N 1 0 380.438 1.231 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)CSc2nnnn2CC(F)(F)F)C1 ZINC000842833556 655380299 /nfs/dbraw/zinc/38/02/99/655380299.db2.gz LZJZUSDTSMQBKI-LLVKDONJSA-N 1 0 381.424 1.991 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c(Cl)s1 ZINC000842839023 655380724 /nfs/dbraw/zinc/38/07/24/655380724.db2.gz WJNWNPWBMCCOTE-SECBINFHSA-N 1 0 386.948 1.555 20 0 GDADRO O=S(=O)(/C=C\c1ccc(F)cc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000842853158 655380990 /nfs/dbraw/zinc/38/09/90/655380990.db2.gz UEFYNCZMRWXGOT-MFNCVGGLSA-N 1 0 381.395 1.552 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CCC[NH2+]1 ZINC000842859424 655381287 /nfs/dbraw/zinc/38/12/87/655381287.db2.gz LZIBDJLYJWOBCT-HNNXBMFYSA-N 1 0 376.862 1.174 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000842871140 655381771 /nfs/dbraw/zinc/38/17/71/655381771.db2.gz OAFWLNGVLAMKFG-CYBMUJFWSA-N 1 0 378.903 1.164 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000842875184 655382059 /nfs/dbraw/zinc/38/20/59/655382059.db2.gz HXHYZRIOLKHFPM-WDEREUQCSA-N 1 0 398.428 1.353 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c(Br)cc1F ZINC000842881033 655382191 /nfs/dbraw/zinc/38/21/91/655382191.db2.gz BRXLPFMTZXNAJI-BQBZGAKWSA-N 1 0 383.239 1.389 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000842883738 655382518 /nfs/dbraw/zinc/38/25/18/655382518.db2.gz XQJOLXVJOMXZGE-RKDXNWHRSA-N 1 0 379.276 1.640 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000818972261 655382551 /nfs/dbraw/zinc/38/25/51/655382551.db2.gz IBQACQXORRNEAJ-DOMZBBRYSA-N 1 0 380.432 1.597 20 0 GDADRO CCS(=O)(=O)CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000819011429 655383106 /nfs/dbraw/zinc/38/31/06/655383106.db2.gz WRQIYPUKJBCNOY-GFCCVEGCSA-N 1 0 384.267 1.352 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000842894588 655383371 /nfs/dbraw/zinc/38/33/71/655383371.db2.gz USHSYAUUOKYJLT-NEPJUHHUSA-N 1 0 387.889 1.532 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c(Br)cc1F ZINC000842914945 655384061 /nfs/dbraw/zinc/38/40/61/655384061.db2.gz ODKVCPGQZWFSGV-HTQZYQBOSA-N 1 0 397.266 1.779 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)NC[C@H]1CCCCO1 ZINC000819055341 655384242 /nfs/dbraw/zinc/38/42/42/655384242.db2.gz UHCRSDWMRKUQEN-CJNGLKHVSA-N 1 0 394.896 1.591 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cccc(Cl)c1)NC[C@H]1CCCCO1 ZINC000819055675 655384270 /nfs/dbraw/zinc/38/42/70/655384270.db2.gz UYVZKJXQNKMLRP-CVEARBPZSA-N 1 0 376.906 1.452 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819065342 655384563 /nfs/dbraw/zinc/38/45/63/655384563.db2.gz NDWQICCWMSQOBF-WMLDXEAASA-N 1 0 378.535 1.551 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000819121968 655386575 /nfs/dbraw/zinc/38/65/75/655386575.db2.gz LGAIMDABKXDWDJ-HFBAOOFYSA-N 1 0 393.285 2.000 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCN1C1CCOCC1 ZINC000819129725 655386776 /nfs/dbraw/zinc/38/67/76/655386776.db2.gz NQEOVDDLJBTOLO-JKSUJKDBSA-N 1 0 383.286 1.852 20 0 GDADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1ccccc1I ZINC000843050102 655387506 /nfs/dbraw/zinc/38/75/06/655387506.db2.gz CGSAOANKZFUBQD-UHFFFAOYSA-N 1 0 389.237 1.865 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000843065279 655387882 /nfs/dbraw/zinc/38/78/82/655387882.db2.gz KMXQPVARYYZZGY-CQSZACIVSA-N 1 0 377.890 1.720 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000819187285 655387927 /nfs/dbraw/zinc/38/79/27/655387927.db2.gz GVFGHQKUSZJQNR-FZMZJTMJSA-N 1 0 377.304 1.354 20 0 GDADRO CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+]CCS(C)(=O)=O)CC1 ZINC000819189491 655387929 /nfs/dbraw/zinc/38/79/29/655387929.db2.gz SWLLWMIPYLOROO-UHFFFAOYSA-N 1 0 388.555 1.383 20 0 GDADRO O=S(=O)(c1ccc(OCC[NH2+]C[C@H](O)C(F)(F)F)cc1)C(F)(F)F ZINC000819201835 655388074 /nfs/dbraw/zinc/38/80/74/655388074.db2.gz WRWHRLBTHRSYDN-JTQLQIEISA-N 1 0 381.294 1.872 20 0 GDADRO C[C@](O)(C[NH2+]CCCn1cc(CO)nn1)c1ccc(Br)cc1F ZINC000843094731 655388246 /nfs/dbraw/zinc/38/82/46/655388246.db2.gz LPHDEFUXKSKSNR-HNNXBMFYSA-N 1 0 387.253 1.559 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C ZINC000819243692 655388485 /nfs/dbraw/zinc/38/84/85/655388485.db2.gz CCSBICWHKDXZGY-KGLIPLIRSA-N 1 0 376.519 1.304 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@@H](O)c1cccc(F)c1 ZINC000843099573 655388497 /nfs/dbraw/zinc/38/84/97/655388497.db2.gz APYCZOOFEMYLLN-BLLLJJGKSA-N 1 0 375.462 1.594 20 0 GDADRO CS(=O)(=O)CC[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000819238284 655388543 /nfs/dbraw/zinc/38/85/43/655388543.db2.gz CJOFBEMENYUTGD-UHFFFAOYSA-N 1 0 378.416 1.944 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(F)cn1)c1ccc(Cl)cc1F ZINC000819286077 655389299 /nfs/dbraw/zinc/38/92/99/655389299.db2.gz FFAGZENSCHDDDT-AWEZNQCLSA-N 1 0 391.827 1.615 20 0 GDADRO COCC1(C[NH2+]C[C@@H](C)S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000819298622 655389362 /nfs/dbraw/zinc/38/93/62/655389362.db2.gz KWHJPXBQMLYNGH-CQSZACIVSA-N 1 0 378.535 1.673 20 0 GDADRO CCS(=O)(=O)CC[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000819303053 655389427 /nfs/dbraw/zinc/38/94/27/655389427.db2.gz AHKKMVIZONOTOS-UHFFFAOYSA-N 1 0 389.326 1.296 20 0 GDADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000819308503 655389535 /nfs/dbraw/zinc/38/95/35/655389535.db2.gz VWQKOCNFWTUKDN-GJZGRUSLSA-N 1 0 391.331 1.886 20 0 GDADRO Brc1cc2c(cc1Cc1noc(C[C@H]3C[NH2+]CCO3)n1)OCO2 ZINC000843203411 655389557 /nfs/dbraw/zinc/38/95/57/655389557.db2.gz RJSWLYHPOHWNFS-JTQLQIEISA-N 1 0 382.214 1.683 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCCn1cc(Br)cn1 ZINC000819314792 655389710 /nfs/dbraw/zinc/38/97/10/655389710.db2.gz LAYDJSQSFISFOV-HNNXBMFYSA-N 1 0 391.310 1.901 20 0 GDADRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1S(N)(=O)=O ZINC000819317618 655389926 /nfs/dbraw/zinc/38/99/26/655389926.db2.gz YAMUFUPLMVQVCI-AWEZNQCLSA-N 1 0 388.848 1.958 20 0 GDADRO C[C@@](O)(C[NH2+][C@H]1CCc2nnnn2CC1)c1ccc(Br)cc1F ZINC000819376028 655390888 /nfs/dbraw/zinc/39/08/88/655390888.db2.gz ZROLGLDVYFMZLR-XHDPSFHLSA-N 1 0 384.253 1.777 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843321843 655392666 /nfs/dbraw/zinc/39/26/66/655392666.db2.gz MGOIRUXKWJEQMR-LBPRGKRZSA-N 1 0 380.495 1.170 20 0 GDADRO C[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@H]1C[NH3+] ZINC000843353429 655393522 /nfs/dbraw/zinc/39/35/22/655393522.db2.gz HXLGTHDDPVSTKP-FZMZJTMJSA-N 1 0 375.441 1.681 20 0 GDADRO [NH3+][C@H](C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000843445662 655395019 /nfs/dbraw/zinc/39/50/19/655395019.db2.gz ARIHUOQKWVQPFO-LBPRGKRZSA-N 1 0 399.822 1.770 20 0 GDADRO C[C@H](CC(=O)N[C@H]1CC12CC[NH2+]CC2)NS(=O)(=O)c1cccnc1Cl ZINC000843478532 655396324 /nfs/dbraw/zinc/39/63/24/655396324.db2.gz HLTQOJTXEQFTEF-YPMHNXCESA-N 1 0 386.905 1.050 20 0 GDADRO C[C@H](CC(=O)NCCC[C@@H]1CCC[NH2+]1)NS(=O)(=O)c1cccnc1Cl ZINC000843485933 655396740 /nfs/dbraw/zinc/39/67/40/655396740.db2.gz WEESXRSGKDGFDK-OLZOCXBDSA-N 1 0 388.921 1.440 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N(C)C2CC([NH3+])C2)ccc1Br ZINC000843485481 655396795 /nfs/dbraw/zinc/39/67/95/655396795.db2.gz VFHRGXFQABURRK-UHFFFAOYSA-N 1 0 390.303 1.261 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000843505643 655397305 /nfs/dbraw/zinc/39/73/05/655397305.db2.gz WHLITOYYBCBGPB-QWRGUYRKSA-N 1 0 377.894 1.120 20 0 GDADRO CCCN(C(=O)c1sc(S(N)(=O)=O)c(C)c1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000843989237 655404202 /nfs/dbraw/zinc/40/42/02/655404202.db2.gz MILWTWLTFSUDPG-SNVBAGLBSA-N 1 0 379.935 1.914 20 0 GDADRO Cc1nc(SC(F)F)sc1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000844037648 655405738 /nfs/dbraw/zinc/40/57/38/655405738.db2.gz LCSUHZIZHOFGAW-SNVBAGLBSA-N 1 0 392.497 1.887 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000844181974 655408403 /nfs/dbraw/zinc/40/84/03/655408403.db2.gz XEYIPMXSUGGLFB-ZBFHGGJFSA-N 1 0 382.302 1.913 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000844184156 655408424 /nfs/dbraw/zinc/40/84/24/655408424.db2.gz ARBGEEOYAYHSPE-KBPBESRZSA-N 1 0 382.302 1.913 20 0 GDADRO CN(C(=O)c1cccn2c(I)cnc12)C1(C[NH3+])CCC1 ZINC000844198022 655408514 /nfs/dbraw/zinc/40/85/14/655408514.db2.gz VDTVUGCFWZRSRS-UHFFFAOYSA-N 1 0 384.221 1.892 20 0 GDADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000844321024 655409354 /nfs/dbraw/zinc/40/93/54/655409354.db2.gz BAOLTTCAMCFZMG-YPMHNXCESA-N 1 0 389.905 1.944 20 0 GDADRO C[C@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844403484 655410160 /nfs/dbraw/zinc/41/01/60/655410160.db2.gz WSARJVZELYLCAI-LSDHHAIUSA-N 1 0 377.551 1.893 20 0 GDADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000820503500 655410948 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CC[NH+](CC)CC[C@H](CO)NC(=O)c1cn2c(Br)cnc2s1 ZINC000848025265 655480524 /nfs/dbraw/zinc/48/05/24/655480524.db2.gz PTVCLNCEZMOVJZ-SNVBAGLBSA-N 1 0 389.319 1.981 20 0 GDADRO C[C@H](CC(=O)N[C@H]1CC[NH2+]CC1(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000825175859 655485140 /nfs/dbraw/zinc/48/51/40/655485140.db2.gz MWNVOSKXNONXTE-YPMHNXCESA-N 1 0 388.921 1.296 20 0 GDADRO [NH3+]CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(F)(F)F ZINC000825207377 655485823 /nfs/dbraw/zinc/48/58/23/655485823.db2.gz JGLGWDVEVBHOGQ-LBPRGKRZSA-N 1 0 383.367 1.276 20 0 GDADRO CC[NH+](CC)CCOC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O ZINC000825255003 655486727 /nfs/dbraw/zinc/48/67/27/655486727.db2.gz HKCXKBCSVXWLSH-IUODEOHRSA-N 1 0 392.905 1.253 20 0 GDADRO COc1cc(/C=C\C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc(Br)c1O ZINC000848308129 655487040 /nfs/dbraw/zinc/48/70/40/655487040.db2.gz YTNMKYDEKZYGMI-GPRRCUJPSA-N 1 0 397.269 1.454 20 0 GDADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306615 655487083 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[NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1)C(F)(F)F ZINC000848603472 655497360 /nfs/dbraw/zinc/49/73/60/655497360.db2.gz PSQYBRQCWJVTIR-LBPRGKRZSA-N 1 0 378.782 1.885 20 0 GDADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(c2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000826507014 655498403 /nfs/dbraw/zinc/49/84/03/655498403.db2.gz HKWVATILMOOQCH-GJZGRUSLSA-N 1 0 393.289 1.665 20 0 GDADRO O=C1O[C@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)CN1C1CC1 ZINC000848678031 655498601 /nfs/dbraw/zinc/49/86/01/655498601.db2.gz HRJMUISRDVZPQS-DZGCQCFKSA-N 1 0 385.258 1.762 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000826985700 655504121 /nfs/dbraw/zinc/50/41/21/655504121.db2.gz KXPNBHIJISMIHL-CBBWQLFWSA-N 1 0 376.519 1.424 20 0 GDADRO CC(C)[C@H]1CN(C(=O)c2cnn(C)c2I)CC[N@@H+]1C ZINC000827491696 655512229 /nfs/dbraw/zinc/51/22/29/655512229.db2.gz WDAINVLLWIZQMG-LLVKDONJSA-N 1 0 376.242 1.437 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2csc(I)n2)CC1 ZINC000827506086 655512502 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GDADRO [NH2+]=C(NCCc1cccs1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000849099910 655517277 /nfs/dbraw/zinc/51/72/77/655517277.db2.gz IDUYNMLIFZSYJN-UHFFFAOYSA-N 1 0 380.486 1.669 20 0 GDADRO COC[C@H](C)NC(=[NH2+])NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000849115051 655517489 /nfs/dbraw/zinc/51/74/89/655517489.db2.gz CSXOZWQMYOSOIY-AAEUAGOBSA-N 1 0 388.306 1.758 20 0 GDADRO O=C(N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000828087306 655519071 /nfs/dbraw/zinc/51/90/71/655519071.db2.gz CQDDHAHSQVFKHU-CQSZACIVSA-N 1 0 395.909 1.326 20 0 GDADRO C[NH+]1CCC(OCC(=O)N[C@@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000828226875 655519968 /nfs/dbraw/zinc/51/99/68/655519968.db2.gz KFRKYOSSKSRXFH-GOSISDBHSA-N 1 0 399.329 1.970 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000849411462 655529219 /nfs/dbraw/zinc/52/92/19/655529219.db2.gz JVJNUVOFRCOHQF-GFCCVEGCSA-N 1 0 392.518 1.628 20 0 GDADRO CN(CC(F)(F)Br)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849594011 655542563 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C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850515964 655557098 /nfs/dbraw/zinc/55/70/98/655557098.db2.gz JCRUTETVYOCJSM-CHWSQXEVSA-N 1 0 390.527 1.224 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000850591734 655559464 /nfs/dbraw/zinc/55/94/64/655559464.db2.gz FETVTDOWUWPBKX-CYBMUJFWSA-N 1 0 385.917 1.995 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)ccc1Br ZINC000850591585 655559482 /nfs/dbraw/zinc/55/94/82/655559482.db2.gz ZMWKFDDVLFMSKT-UHFFFAOYSA-N 1 0 389.271 1.348 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)[C@H](C[NH3+])C1 ZINC000850592501 655559720 /nfs/dbraw/zinc/55/97/20/655559720.db2.gz SJTHTCKRTJAMPV-MNOVXSKESA-N 1 0 380.919 1.491 20 0 GDADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[NH+](C)C ZINC000850595464 655560096 /nfs/dbraw/zinc/56/00/96/655560096.db2.gz ABOTVRWHVBFIJP-SNVBAGLBSA-N 1 0 377.413 1.078 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NC2CCC([NH3+])CC2)n1 ZINC000850821648 655568753 /nfs/dbraw/zinc/56/87/53/655568753.db2.gz PTMXLZDLMJNQQD-UHFFFAOYSA-N 1 0 382.877 1.522 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850827456 655569136 /nfs/dbraw/zinc/56/91/36/655569136.db2.gz OGFBYIBHONSUEQ-IUCAKERBSA-N 1 0 382.877 1.250 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850827450 655569151 /nfs/dbraw/zinc/56/91/51/655569151.db2.gz OGFBYIBHONSUEQ-BDAKNGLRSA-N 1 0 382.877 1.250 20 0 GDADRO Cc1c(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cnc(Cl)c1Br ZINC000850830038 655569325 /nfs/dbraw/zinc/56/93/25/655569325.db2.gz ABYWVQNQLNHPRE-UHFFFAOYSA-N 1 0 377.670 1.940 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000851649350 655589850 /nfs/dbraw/zinc/58/98/50/655589850.db2.gz WNGFISVYGSUBKF-VXGBXAGGSA-N 1 0 379.251 1.364 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000851841136 655598969 /nfs/dbraw/zinc/59/89/69/655598969.db2.gz DXEHFLYLQGHAEZ-CQSZACIVSA-N 1 0 386.451 1.317 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(Br)o2)CCO1 ZINC000851887353 655602543 /nfs/dbraw/zinc/60/25/43/655602543.db2.gz VTUUNBGWNZGYHN-NSHDSACASA-N 1 0 381.292 1.773 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCS(=O)(=O)CC(F)(F)F)C1 ZINC000851978588 655604962 /nfs/dbraw/zinc/60/49/62/655604962.db2.gz MZXKIOWLJLDQHE-STQMWFEESA-N 1 0 387.468 1.631 20 0 GDADRO CCN1CCC([N@@H+]2CCCN(CCn3cnc(Br)n3)CC2)CC1 ZINC000852184178 655609622 /nfs/dbraw/zinc/60/96/22/655609622.db2.gz HVMIWLXJPIENAA-UHFFFAOYSA-N 1 0 385.354 1.533 20 0 GDADRO O=C([C@@H]1[NH2+]CC12CCCC2)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000852787924 655622536 /nfs/dbraw/zinc/62/25/36/655622536.db2.gz YOBQXTCCSSBMJU-HNNXBMFYSA-N 1 0 383.539 1.550 20 0 GDADRO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cnnn1C1CC[NH2+]CC1 ZINC000852806638 655623076 /nfs/dbraw/zinc/62/30/76/655623076.db2.gz KVHVGYGECIEDIL-HNNXBMFYSA-N 1 0 384.267 1.973 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852836474 655624032 /nfs/dbraw/zinc/62/40/32/655624032.db2.gz AETFACIGIQWKMD-GFCCVEGCSA-N 1 0 397.273 1.017 20 0 GDADRO CC(C)C[C@H]([NH3+])C(=O)N1CCC(n2nncc2I)CC1 ZINC000852861655 655624619 /nfs/dbraw/zinc/62/46/19/655624619.db2.gz ZXTOOTJKCIDKHE-NSHDSACASA-N 1 0 391.257 1.420 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(n2nncc2I)CC1 ZINC000852860940 655624426 /nfs/dbraw/zinc/62/44/26/655624426.db2.gz MDTVWHBNDSZTSP-GXSJLCMTSA-N 1 0 389.241 1.044 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)C3=NO[C@@H](C[NH3+])C3)C2=O)ccc1Br ZINC000852889392 655625432 /nfs/dbraw/zinc/62/54/32/655625432.db2.gz OFQILWZKFFNSIH-DGCLKSJQSA-N 1 0 395.257 1.083 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000852896953 655625706 /nfs/dbraw/zinc/62/57/06/655625706.db2.gz KDLNAYIJPHTKIJ-XQQFMLRXSA-N 1 0 385.306 1.992 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000852896291 655625715 /nfs/dbraw/zinc/62/57/15/655625715.db2.gz XGKGPJFXHKYPFW-AVGNSLFASA-N 1 0 385.306 1.850 20 0 GDADRO CS(=O)(=O)CCOc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852902678 655626306 /nfs/dbraw/zinc/62/63/06/655626306.db2.gz PVKLIWDPJFLXGW-CQSZACIVSA-N 1 0 380.388 1.591 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000852906533 655627390 /nfs/dbraw/zinc/62/73/90/655627390.db2.gz HNJMHWKIAGFPSK-MRXNPFEDSA-N 1 0 382.302 1.866 20 0 GDADRO C[C@@]1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC[NH2+]C1 ZINC000852927170 655628542 /nfs/dbraw/zinc/62/85/42/655628542.db2.gz DJRBDACSWHFOSN-QGZVFWFLSA-N 1 0 385.917 1.996 20 0 GDADRO O=C(c1scnc1Cl)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852930093 655628648 /nfs/dbraw/zinc/62/86/48/655628648.db2.gz FZUBXTGUPCKVRR-LLVKDONJSA-N 1 0 380.905 1.949 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000853080682 655632224 /nfs/dbraw/zinc/63/22/24/655632224.db2.gz CKUIONYMBXGHLG-LLVKDONJSA-N 1 0 387.811 1.552 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc4c(c3)S(=O)(=O)N=C4Cl)CC2)C1 ZINC000853341234 655638705 /nfs/dbraw/zinc/63/87/05/655638705.db2.gz PQRSNCSKQJZMEN-AWEZNQCLSA-N 1 0 382.917 1.591 20 0 GDADRO CN1C(=S)N=NC1[C@H]1CCCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000853821144 655651132 /nfs/dbraw/zinc/65/11/32/655651132.db2.gz UPYBOIXSMSJWAY-BLLLJJGKSA-N 1 0 384.575 1.430 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)[C@@]1(C)CC1(Br)Br ZINC000854490491 655668238 /nfs/dbraw/zinc/66/82/38/655668238.db2.gz VGOBPVFCCDQGTQ-GFCCVEGCSA-N 1 0 399.171 1.882 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)[C@]1(C)CC1(Br)Br ZINC000854490492 655668277 /nfs/dbraw/zinc/66/82/77/655668277.db2.gz VGOBPVFCCDQGTQ-LBPRGKRZSA-N 1 0 399.171 1.882 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000854879452 655679989 /nfs/dbraw/zinc/67/99/89/655679989.db2.gz LFOHUJMGXMGLFD-ZIAGYGMSSA-N 1 0 375.535 1.158 20 0 GDADRO O=C(NCC[S@@](=O)CC(F)(F)F)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000855273635 655689197 /nfs/dbraw/zinc/68/91/97/655689197.db2.gz DFNXHCHOUKEMSO-HWRSSNJWSA-N 1 0 377.432 1.721 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1nccn2c(Br)cnc12 ZINC000855415521 655693790 /nfs/dbraw/zinc/69/37/90/655693790.db2.gz YDQLMZGYZOFGQX-UHFFFAOYSA-N 1 0 383.294 1.105 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)[C@@]1(C)CC1(Br)Br ZINC000855417306 655693908 /nfs/dbraw/zinc/69/39/08/655693908.db2.gz FMRIWMYGNCIBSC-GFCCVEGCSA-N 1 0 399.171 1.882 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CCO1 ZINC000856428186 655713194 /nfs/dbraw/zinc/71/31/94/655713194.db2.gz QJDSTZKHYCUZPR-ZDUSSCGKSA-N 1 0 389.905 1.170 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[NH2+]1 ZINC000856485859 655714074 /nfs/dbraw/zinc/71/40/74/655714074.db2.gz RUCFDBDLIMJFKL-ZDUSSCGKSA-N 1 0 389.315 1.923 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)ccc1Cl ZINC000856485552 655714076 /nfs/dbraw/zinc/71/40/76/655714076.db2.gz YGMGCZGZTPDIHE-AWEZNQCLSA-N 1 0 389.905 1.592 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C2 ZINC000857235087 655731554 /nfs/dbraw/zinc/73/15/54/655731554.db2.gz OJCPWRSLVPRBEL-MFKMUULPSA-N 1 0 398.428 1.482 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c(Br)o1 ZINC000857236498 655731661 /nfs/dbraw/zinc/73/16/61/655731661.db2.gz ZTNXZAVXRQIVOU-ISVAXAHUSA-N 1 0 393.259 1.331 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cn(C)nc2Br)CC1 ZINC000858097392 655744313 /nfs/dbraw/zinc/74/43/13/655744313.db2.gz KZOUOOIUBWEGDX-UHFFFAOYSA-N 1 0 379.324 1.476 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000858606602 655749948 /nfs/dbraw/zinc/74/99/48/655749948.db2.gz FUVHSDUAXPZWBX-GHMZBOCLSA-N 1 0 379.404 1.854 20 0 GDADRO [NH3+]CC[C@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C(F)F ZINC000858612261 655750194 /nfs/dbraw/zinc/75/01/94/655750194.db2.gz IPXDIEMATKNFFY-VIFPVBQESA-N 1 0 375.319 1.448 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c(Cl)s1 ZINC000858620655 655750859 /nfs/dbraw/zinc/75/08/59/655750859.db2.gz YJLXTQSHSPZJGR-VIFPVBQESA-N 1 0 384.932 1.368 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C[C@@H](C)[NH3+])c1 ZINC000858642304 655751917 /nfs/dbraw/zinc/75/19/17/655751917.db2.gz JWGDCDAPOJSLHO-LLVKDONJSA-N 1 0 397.950 1.338 20 0 GDADRO O=C1OC[C@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000860159769 655795984 /nfs/dbraw/zinc/79/59/84/655795984.db2.gz PIMMJSLWYCGPPX-ADEWGFFLSA-N 1 0 390.661 1.947 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000861531493 655824844 /nfs/dbraw/zinc/82/48/44/655824844.db2.gz YMEWWTMCTPBRBZ-IYBDPMFKSA-N 1 0 381.274 1.549 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000861542140 655825553 /nfs/dbraw/zinc/82/55/53/655825553.db2.gz LYCABSCDXUIVLT-ZCFIWIBFSA-N 1 0 394.067 1.351 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1 ZINC000861544162 655825714 /nfs/dbraw/zinc/82/57/14/655825714.db2.gz LBSWSKVKRCNWTC-VIFPVBQESA-N 1 0 375.210 1.344 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000861650008 655827469 /nfs/dbraw/zinc/82/74/69/655827469.db2.gz XDQXRXMIUIVWPP-RKDXNWHRSA-N 1 0 399.357 1.132 20 0 GDADRO O=Cc1ccc(OCC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c(Br)c1 ZINC000861712366 655828942 /nfs/dbraw/zinc/82/89/42/655828942.db2.gz NDHPGMOJBRNLPQ-KGLIPLIRSA-N 1 0 397.269 1.308 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c(Br)n1 ZINC000862031175 655836950 /nfs/dbraw/zinc/83/69/50/655836950.db2.gz CLELOPGKIJQWMG-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cccc(Br)n1 ZINC000862091359 655838201 /nfs/dbraw/zinc/83/82/01/655838201.db2.gz KCOTUBAUEYYOIL-GFCCVEGCSA-N 1 0 381.274 1.916 20 0 GDADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862284962 655843998 /nfs/dbraw/zinc/84/39/98/655843998.db2.gz OTRLMPGAOSXOQT-ZIAGYGMSSA-N 1 0 376.519 1.425 20 0 GDADRO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862364567 655845104 /nfs/dbraw/zinc/84/51/04/655845104.db2.gz DDAFZHYOEISUHL-MELADBBJSA-N 1 0 376.519 1.566 20 0 GDADRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862368377 655845293 /nfs/dbraw/zinc/84/52/93/655845293.db2.gz GOGJFIOWCRDCGY-IHRRRGAJSA-N 1 0 375.535 1.468 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(SC(F)(F)F)nc1 ZINC000862648736 655850779 /nfs/dbraw/zinc/85/07/79/655850779.db2.gz FFMFUCBNDLEWCH-NSHDSACASA-N 1 0 376.404 1.763 20 0 GDADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000862792840 655855013 /nfs/dbraw/zinc/85/50/13/655855013.db2.gz DSFUSCXCBOTQAZ-JTQLQIEISA-N 1 0 377.869 1.588 20 0 GDADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863322010 655865885 /nfs/dbraw/zinc/86/58/85/655865885.db2.gz LLXIOAWHZRENNC-GFCCVEGCSA-N 1 0 395.253 1.660 20 0 GDADRO C[C@H]([NH3+])CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000863567248 655875974 /nfs/dbraw/zinc/87/59/74/655875974.db2.gz UOMWPTNPXPDOGH-QWRGUYRKSA-N 1 0 376.910 1.196 20 0 GDADRO CC1(C)CC[C@@H](CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)[NH2+]C1 ZINC000864055290 655888192 /nfs/dbraw/zinc/88/81/92/655888192.db2.gz MJSQMEPCJKEPNX-SRVKXCTJSA-N 1 0 385.452 1.382 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cn3ccnc23)C1 ZINC000865195715 655914424 /nfs/dbraw/zinc/91/44/24/655914424.db2.gz PEBWEUXYKKPJQD-CYBMUJFWSA-N 1 0 381.274 1.937 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000865212533 655914793 /nfs/dbraw/zinc/91/47/93/655914793.db2.gz MIQDUAQHYLCHLC-CQSZACIVSA-N 1 0 377.388 1.562 20 0 GDADRO CCN(CCC[NH2+]Cc1cc(Br)cnc1OC)S(C)(=O)=O ZINC000865423669 655919648 /nfs/dbraw/zinc/91/96/48/655919648.db2.gz MKDLIVSVXFCDKI-UHFFFAOYSA-N 1 0 380.308 1.614 20 0 GDADRO O=c1[nH]ccc2oc(C[NH2+]C3CCN(S(=O)(=O)C(F)(F)F)CC3)cc21 ZINC000865488828 655920571 /nfs/dbraw/zinc/92/05/71/655920571.db2.gz IOBDFPQYNWEJKI-UHFFFAOYSA-N 1 0 379.360 1.937 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000865583623 655922349 /nfs/dbraw/zinc/92/23/49/655922349.db2.gz FVFOQPOCBYKBHL-JKSUJKDBSA-N 1 0 398.301 1.463 20 0 GDADRO O=C1COC[C@@]2(C[NH2+]Cc3ccc(Br)c(F)c3F)COCCN12 ZINC000865795014 655926896 /nfs/dbraw/zinc/92/68/96/655926896.db2.gz JCFLQBDXPGQXRA-OAHLLOKOSA-N 1 0 391.212 1.445 20 0 GDADRO COc1cc(Cl)c(C[NH2+]C[C@@]23COCCN2C(=O)COC3)cc1Cl ZINC000865797887 655927030 /nfs/dbraw/zinc/92/70/30/655927030.db2.gz NJCXRIMXTFYYSJ-INIZCTEOSA-N 1 0 375.252 1.719 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)cn2ccnc12 ZINC000865951777 655930958 /nfs/dbraw/zinc/93/09/58/655930958.db2.gz FOJIDTOMZAQFKO-UHFFFAOYSA-N 1 0 381.274 1.673 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CC2(F)F)CCSC1 ZINC000866333384 655937806 /nfs/dbraw/zinc/93/78/06/655937806.db2.gz JHSJGRCWGRFRLZ-GJZGRUSLSA-N 1 0 379.473 1.842 20 0 GDADRO C[NH+]1CCC2(CC1)C[C@@H](NS(=O)(=O)N=S(C)(C)=O)c1ccccc1O2 ZINC000866474967 655945610 /nfs/dbraw/zinc/94/56/10/655945610.db2.gz VQEGDNCWLZVGEX-CQSZACIVSA-N 1 0 387.527 1.537 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1Br ZINC000866490801 655946805 /nfs/dbraw/zinc/94/68/05/655946805.db2.gz FBAHQPBRAFEQEN-GFCCVEGCSA-N 1 0 393.351 1.971 20 0 GDADRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(Br)c(F)c1 ZINC000866552232 655948965 /nfs/dbraw/zinc/94/89/65/655948965.db2.gz HFDSRDASIVHZIL-BDJLRTHQSA-N 1 0 387.249 1.867 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1Br ZINC000866617071 655951751 /nfs/dbraw/zinc/95/17/51/655951751.db2.gz YMYPFMFFODVGCT-LLVKDONJSA-N 1 0 377.308 1.432 20 0 GDADRO COCC[NH+]1CCC(NCc2c(I)cnn2C)CC1 ZINC000866629167 655951850 /nfs/dbraw/zinc/95/18/50/655951850.db2.gz CPWXIWJRKMSUPC-UHFFFAOYSA-N 1 0 378.258 1.225 20 0 GDADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1cn(C)nc1Br ZINC000866727456 655956834 /nfs/dbraw/zinc/95/68/34/655956834.db2.gz GVADMHUBOCMCAS-UHFFFAOYSA-N 1 0 381.340 1.973 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2Cl)C1 ZINC000866738496 655957722 /nfs/dbraw/zinc/95/77/22/655957722.db2.gz NYWQDWGUPKZQHO-NSHDSACASA-N 1 0 377.869 1.096 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000866738912 655957778 /nfs/dbraw/zinc/95/77/78/655957778.db2.gz SQBNQGPFNYHLEH-NSHDSACASA-N 1 0 377.304 1.877 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866744992 655958247 /nfs/dbraw/zinc/95/82/47/655958247.db2.gz ZQYPBXWKEWUHJB-MNOVXSKESA-N 1 0 377.308 1.335 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000866767423 655960769 /nfs/dbraw/zinc/96/07/69/655960769.db2.gz RPYZHQPJJUVNHB-GOEBONIOSA-N 1 0 391.534 1.861 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Br)n1 ZINC000866770374 655961219 /nfs/dbraw/zinc/96/12/19/655961219.db2.gz WBDZVYOMLHCFCJ-WDEREUQCSA-N 1 0 377.308 1.335 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)NCCC1CC[NH2+]CC1)C(F)(F)F ZINC000866775535 655962024 /nfs/dbraw/zinc/96/20/24/655962024.db2.gz HKFXYERMFNPYRE-UHFFFAOYSA-N 1 0 379.404 1.855 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCOc3ccc(C[NH3+])cc32)c(Br)n1 ZINC000866781360 655962907 /nfs/dbraw/zinc/96/29/07/655962907.db2.gz OVIVAWMOMDBNEF-UHFFFAOYSA-N 1 0 387.259 1.229 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1C2CCC1(C[NH3+])CC2 ZINC000866794974 655964419 /nfs/dbraw/zinc/96/44/19/655964419.db2.gz PVXVHTLARVQCDQ-UHFFFAOYSA-N 1 0 392.930 1.529 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)c(Br)c1 ZINC000866807278 655965926 /nfs/dbraw/zinc/96/59/26/655965926.db2.gz XEKITRFAWLHSKC-WAAGHKOSSA-N 1 0 377.260 1.251 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(Br)n1 ZINC000866813929 655966417 /nfs/dbraw/zinc/96/64/17/655966417.db2.gz GPWASDBPSOPMNH-ZDUSSCGKSA-N 1 0 379.324 1.568 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000866814779 655966521 /nfs/dbraw/zinc/96/65/21/655966521.db2.gz HEZXLRHREILBHG-YOEHRIQHSA-N 1 0 375.535 1.203 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000866816090 655966633 /nfs/dbraw/zinc/96/66/33/655966633.db2.gz IYPRAYZEEUEFKT-CFVMTHIKSA-N 1 0 385.873 1.037 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(Br)c1 ZINC000866822777 655967117 /nfs/dbraw/zinc/96/71/17/655967117.db2.gz CRTOOPDSSJQBNN-QWHCGFSZSA-N 1 0 375.288 1.973 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1OC ZINC000866822960 655967243 /nfs/dbraw/zinc/96/72/43/655967243.db2.gz FBZHGASTWNQXFF-CHWSQXEVSA-N 1 0 387.889 1.223 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(Br)c1 ZINC000866822779 655967258 /nfs/dbraw/zinc/96/72/58/655967258.db2.gz CRTOOPDSSJQBNN-STQMWFEESA-N 1 0 375.288 1.973 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1)C(F)(F)F ZINC000866825659 655967482 /nfs/dbraw/zinc/96/74/82/655967482.db2.gz RMLZYHAXIBBNEP-OLZOCXBDSA-N 1 0 377.388 1.702 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000866847107 655969928 /nfs/dbraw/zinc/96/99/28/655969928.db2.gz HHJXMTOKWXUJBK-DEOSSOPVSA-N 1 0 389.543 1.167 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccc(Br)cc1=O ZINC000866861951 655971563 /nfs/dbraw/zinc/97/15/63/655971563.db2.gz ABMOZPOKVZRRSN-QLFBSQMISA-N 1 0 398.301 1.321 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866940911 655979477 /nfs/dbraw/zinc/97/94/77/655979477.db2.gz ZNLHGUIZVMZAAA-PSLXWICFSA-N 1 0 377.532 1.335 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000866981654 655983785 /nfs/dbraw/zinc/98/37/85/655983785.db2.gz FFMNZGYQUYELAX-HUUCEWRRSA-N 1 0 381.564 1.097 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000867028476 655988973 /nfs/dbraw/zinc/98/89/73/655988973.db2.gz RUDPRMHORJNCEE-MRXNPFEDSA-N 1 0 393.912 1.069 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cn(C)nc1Br ZINC000867064266 655992725 /nfs/dbraw/zinc/99/27/25/655992725.db2.gz IZTAFHVPNTUATL-JTQLQIEISA-N 1 0 379.324 1.533 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(OC)cc1F ZINC000867275877 656029444 /nfs/dbraw/zinc/02/94/44/656029444.db2.gz FTJMTDAIZGVPJJ-NSHDSACASA-N 1 0 376.450 1.628 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000867297364 656033160 /nfs/dbraw/zinc/03/31/60/656033160.db2.gz JDJKRRBDBHWNLW-SMDDNHRTSA-N 1 0 389.315 1.923 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c1cccc(Br)c1 ZINC000867323362 656037915 /nfs/dbraw/zinc/03/79/15/656037915.db2.gz CYISHLUIBZCZBM-CQSZACIVSA-N 1 0 386.290 1.273 20 0 GDADRO CN(C[C@H](O)c1ccccc1Br)S(=O)(=O)CCC[NH+](C)C ZINC000867369891 656047089 /nfs/dbraw/zinc/04/70/89/656047089.db2.gz JHGNVNHOVINWDE-AWEZNQCLSA-N 1 0 379.320 1.696 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000867374857 656048203 /nfs/dbraw/zinc/04/82/03/656048203.db2.gz OUPCWOAEGGNZKN-NSHDSACASA-N 1 0 377.304 1.829 20 0 GDADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000867387952 656050879 /nfs/dbraw/zinc/05/08/79/656050879.db2.gz FTUNWEKMKVAYHZ-UHFFFAOYSA-N 1 0 397.317 1.793 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000867439592 656061352 /nfs/dbraw/zinc/06/13/52/656061352.db2.gz WKESQUUNNKFQRJ-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Br)cn2)C[C@H]1C ZINC000867514076 656074180 /nfs/dbraw/zinc/07/41/80/656074180.db2.gz JZJNHARCSUDMRT-IUODEOHRSA-N 1 0 397.317 1.792 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867515035 656074365 /nfs/dbraw/zinc/07/43/65/656074365.db2.gz GZODAFSBSMOYES-SMDDNHRTSA-N 1 0 383.290 1.259 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CCO1 ZINC000867537183 656080319 /nfs/dbraw/zinc/08/03/19/656080319.db2.gz DALKSZZHCOZASZ-MYYSRTQBSA-N 1 0 389.543 1.431 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1C(F)(F)F ZINC000867541504 656081108 /nfs/dbraw/zinc/08/11/08/656081108.db2.gz ZDIRQIUKBILZIZ-GFCCVEGCSA-N 1 0 380.436 1.839 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1Br ZINC000867555377 656082756 /nfs/dbraw/zinc/08/27/56/656082756.db2.gz KEALTXKDILSZOS-GFCCVEGCSA-N 1 0 391.335 1.868 20 0 GDADRO CCOC(=O)CC1(S(=O)(=O)N(CCOC)CC2CC[NH+](C)CC2)CC1 ZINC000867581937 656088057 /nfs/dbraw/zinc/08/80/57/656088057.db2.gz RQQZBSFYCZAIEI-UHFFFAOYSA-N 1 0 376.519 1.092 20 0 GDADRO CCCN(C(=O)C(=O)NCc1ccc(Br)cn1)[C@H]1CC[N@H+](C)C1 ZINC000867620154 656094756 /nfs/dbraw/zinc/09/47/56/656094756.db2.gz MCPCJZXQBXIBMT-AWEZNQCLSA-N 1 0 383.290 1.403 20 0 GDADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000867743721 656107795 /nfs/dbraw/zinc/10/77/95/656107795.db2.gz HAGUJGZZYNFUKU-UHFFFAOYSA-N 1 0 389.543 1.136 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000867743842 656107798 /nfs/dbraw/zinc/10/77/98/656107798.db2.gz ZOMODPCNGMBOGD-UHFFFAOYSA-N 1 0 386.290 1.943 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000867806708 656119217 /nfs/dbraw/zinc/11/92/17/656119217.db2.gz HTJWLUKXONJPRU-DOMZBBRYSA-N 1 0 385.917 1.723 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(OCC(F)(F)F)nc3)CC[C@@H]21 ZINC000867811572 656120275 /nfs/dbraw/zinc/12/02/75/656120275.db2.gz DANIUDDXRRAXKB-YPMHNXCESA-N 1 0 379.404 1.737 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CC1 ZINC000867817858 656121260 /nfs/dbraw/zinc/12/12/60/656121260.db2.gz VDAMCVRBPHPMSE-UHFFFAOYSA-N 1 0 377.432 1.504 20 0 GDADRO CO[C@@H](CS(=O)(=O)N(CC(C)C)CC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000867863797 656127211 /nfs/dbraw/zinc/12/72/11/656127211.db2.gz BMLSQBATKRDGHL-MSOLQXFVSA-N 1 0 376.563 1.668 20 0 GDADRO CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1cccc(Br)c1 ZINC000867873765 656127985 /nfs/dbraw/zinc/12/79/85/656127985.db2.gz QYDCNAPJXOKICE-IJEWVQPXSA-N 1 0 380.286 1.646 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1ccc(Br)cc1=O ZINC000867879255 656129231 /nfs/dbraw/zinc/12/92/31/656129231.db2.gz WOASUVUKIAVKPA-ZDUSSCGKSA-N 1 0 398.301 1.323 20 0 GDADRO [NH3+][C@H](C(=O)N1CCN(c2cccnn2)CC1)c1cccc(Br)c1 ZINC000867958654 656135741 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GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000868303629 656150001 /nfs/dbraw/zinc/15/00/01/656150001.db2.gz IUJZZQBSKCAMDE-JGZJWPJOSA-N 1 0 377.242 1.789 20 0 GDADRO CCOC(=O)CS[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C(F)(F)F ZINC000868365167 656152144 /nfs/dbraw/zinc/15/21/44/656152144.db2.gz CYJYADASGCVCOH-JQWIXIFHSA-N 1 0 383.436 1.750 20 0 GDADRO CCOC(=O)CS[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)C(F)(F)F ZINC000868374422 656152604 /nfs/dbraw/zinc/15/26/04/656152604.db2.gz RNTBJRLRYJRTOU-SDDRHHMPSA-N 1 0 385.452 1.996 20 0 GDADRO CCOC(=O)CS[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C(F)(F)F ZINC000868374420 656152654 /nfs/dbraw/zinc/15/26/54/656152654.db2.gz RNTBJRLRYJRTOU-IJLUTSLNSA-N 1 0 385.452 1.996 20 0 GDADRO COc1cc(I)ccc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000869461706 656197315 /nfs/dbraw/zinc/19/73/15/656197315.db2.gz IZEINIPULDEVPA-LLVKDONJSA-N 1 0 390.221 1.096 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2c(Br)cnn2C)cn1 ZINC000870314328 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MQFLLXDKEXJFOC-NUEKZKHPSA-N 1 0 381.274 1.769 20 0 GDADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(Br)cn2)C[C@H]1C(F)(F)F ZINC000872150047 656318592 /nfs/dbraw/zinc/31/85/92/656318592.db2.gz CTMDLSVIGTXOSB-WCBMZHEXSA-N 1 0 381.196 1.852 20 0 GDADRO [NH3+]C[C@@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C[C@H]1C(F)(F)F ZINC000872150750 656318705 /nfs/dbraw/zinc/31/87/05/656318705.db2.gz ROOMMLKBQBYTGB-DGCLKSJQSA-N 1 0 381.420 1.633 20 0 GDADRO CC(=O)N[C@@H](c1nc(N2CC[NH2+]CC2)no1)c1cccc(Br)c1 ZINC000872184867 656319206 /nfs/dbraw/zinc/31/92/06/656319206.db2.gz ZHXPIKMUBZYUSP-CYBMUJFWSA-N 1 0 380.246 1.467 20 0 GDADRO CC(C)(O)C[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000872208280 656320004 /nfs/dbraw/zinc/32/00/04/656320004.db2.gz SPMPYKZUJUMYJC-JTQLQIEISA-N 1 0 385.313 1.383 20 0 GDADRO CC(C)(O)C[C@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000872216048 656320042 /nfs/dbraw/zinc/32/00/42/656320042.db2.gz MVZRNHKIZYIFNC-STQMWFEESA-N 1 0 378.282 1.851 20 0 GDADRO O[C@H](C[NH2+][C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)CC1(O)CCOCC1 ZINC000872239773 656321164 /nfs/dbraw/zinc/32/11/64/656321164.db2.gz SOCXAWPOJZPUKV-PQEBFOHHSA-N 1 0 382.298 1.969 20 0 GDADRO COc1ccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Br ZINC000872254399 656321706 /nfs/dbraw/zinc/32/17/06/656321706.db2.gz CFDNEYCCWOGCBB-BJJXKVORSA-N 1 0 396.285 1.825 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1Br ZINC000872260845 656321996 /nfs/dbraw/zinc/32/19/96/656321996.db2.gz FHJBMENBZDWFJY-MRXNPFEDSA-N 1 0 399.241 1.547 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000872267828 656322006 /nfs/dbraw/zinc/32/20/06/656322006.db2.gz KCNUSUUEVAZOPI-CALCHBBNSA-N 1 0 385.917 1.662 20 0 GDADRO O=C1CC2(CCOCC2)[N@H+](C[C@H](O)c2ccccc2Br)CCN1 ZINC000872284898 656322139 /nfs/dbraw/zinc/32/21/39/656322139.db2.gz UIMUDMJADOPOCW-HNNXBMFYSA-N 1 0 383.286 1.854 20 0 GDADRO C[C@H](CC(=O)N1CC[NH2+]CCC1(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000872295442 656322419 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GDADRO O=S(=O)(c1ccc(Br)cc1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872615640 656365873 /nfs/dbraw/zinc/36/58/73/656365873.db2.gz JNPYPWIZKVOHCV-QWHCGFSZSA-N 1 0 375.288 1.279 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCc2ncc(Cl)s2)o1 ZINC000872834185 656379484 /nfs/dbraw/zinc/37/94/84/656379484.db2.gz HLAWOCRWUPGCEZ-UHFFFAOYSA-N 1 0 384.889 1.905 20 0 GDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1ncc(Cl)s1 ZINC000872886157 656380745 /nfs/dbraw/zinc/38/07/45/656380745.db2.gz ACLMTXZEAVETJE-LLVKDONJSA-N 1 0 386.905 1.124 20 0 GDADRO NC(=O)C1(C[NH2+]Cc2cccc(F)c2I)CCOCC1 ZINC000873012251 656384025 /nfs/dbraw/zinc/38/40/25/656384025.db2.gz FKYGNTGOYKXNQM-UHFFFAOYSA-N 1 0 392.212 1.802 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873106841 656386576 /nfs/dbraw/zinc/38/65/76/656386576.db2.gz FQXFHAMCOKHDID-APPDUMDISA-N 1 0 396.285 1.773 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2nc(C3CCC3)cs2)C[C@@H]1C(F)(F)F ZINC000873106681 656386595 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394.269 1.943 20 0 GDADRO Cc1nc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)ccc1Br ZINC000873973615 656435203 /nfs/dbraw/zinc/43/52/03/656435203.db2.gz MBHQYKZHKINVQP-NSHDSACASA-N 1 0 399.289 1.052 20 0 GDADRO COC(=O)C1CC[NH+](CCCNC(=O)c2csc(Br)n2)CC1 ZINC000874040220 656438396 /nfs/dbraw/zinc/43/83/96/656438396.db2.gz IZUHLOSOAUZWEH-UHFFFAOYSA-N 1 0 390.303 1.911 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCc4ccc(Br)cc43)CC[C@@H]21 ZINC000874172811 656447918 /nfs/dbraw/zinc/44/79/18/656447918.db2.gz LAWLZGPCTDGIDI-ZFWWWQNUSA-N 1 0 392.297 1.891 20 0 GDADRO C[N@H+](CCNC(=O)c1nc(Br)sc1Cl)CCOCCO ZINC000922112958 656457153 /nfs/dbraw/zinc/45/71/53/656457153.db2.gz HFBQNIQUXYACOM-UHFFFAOYSA-N 1 0 386.699 1.230 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@@H+](C)CCOCCO ZINC000922115757 656457367 /nfs/dbraw/zinc/45/73/67/656457367.db2.gz GZFLVNNJNDYWTL-UHFFFAOYSA-N 1 0 399.289 1.076 20 0 GDADRO C[N@H+](CCNC(=O)c1cc(Br)cc2cccnc21)CCOCCO ZINC000922119967 656457873 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CC(C)O[C@@]1(C[NH2+]Cc2c(I)cnn2C)CCOC1 ZINC000922610334 656494771 /nfs/dbraw/zinc/49/47/71/656494771.db2.gz SYTZFYDVLNDMFF-CYBMUJFWSA-N 1 0 379.242 1.698 20 0 GDADRO CO[C@]1(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CCS(=O)(=O)C1 ZINC000922614724 656495777 /nfs/dbraw/zinc/49/57/77/656495777.db2.gz IYCZJOSDPJDMDK-AWEZNQCLSA-N 1 0 392.271 1.471 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 ZINC000922618341 656496422 /nfs/dbraw/zinc/49/64/22/656496422.db2.gz KWWYHADAWMHYCN-IAQYHMDHSA-N 1 0 386.461 1.328 20 0 GDADRO CO[C@@]1(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CCS(=O)(=O)C1 ZINC000922619661 656497113 /nfs/dbraw/zinc/49/71/13/656497113.db2.gz SLAUTUJHYFONBA-OAHLLOKOSA-N 1 0 379.381 1.310 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000874991394 656498833 /nfs/dbraw/zinc/49/88/33/656498833.db2.gz CTIIEZMBONQJTH-UHFFFAOYSA-N 1 0 378.782 1.580 20 0 GDADRO CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000874999952 656499566 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O=S1(=O)C[C@H]2[C@@H](C1)[NH2+]CCN2Cc1ccc(Cl)cc1Br ZINC000923522411 656559132 /nfs/dbraw/zinc/55/91/32/656559132.db2.gz IMVRKOLCIIZBPO-OLZOCXBDSA-N 1 0 379.707 1.673 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000923536130 656565772 /nfs/dbraw/zinc/56/57/72/656565772.db2.gz IIRGJIVWXPTPTG-QGZVFWFLSA-N 1 0 385.917 1.900 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000875838252 656568359 /nfs/dbraw/zinc/56/83/59/656568359.db2.gz VNGBBXGEDACHDG-OAHLLOKOSA-N 1 0 394.313 1.807 20 0 GDADRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923626570 656578425 /nfs/dbraw/zinc/57/84/25/656578425.db2.gz AYHIZBBGCGMXPP-CQSZACIVSA-N 1 0 389.953 1.788 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccnn2CC2CCC2)CC[C@H]1C(F)(F)F ZINC000923661110 656580787 /nfs/dbraw/zinc/58/07/87/656580787.db2.gz IMMOCEXZJSIFLT-QWHCGFSZSA-N 1 0 380.436 1.831 20 0 GDADRO COc1cc(S(=O)(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)ccc1Cl ZINC000923683838 656585502 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COc1c(F)cc(Br)cc1S(=O)(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000923695095 656590720 /nfs/dbraw/zinc/59/07/20/656590720.db2.gz MDTVYJGOFGWCPF-CYBMUJFWSA-N 1 0 397.266 1.071 20 0 GDADRO O=C(NCc1ncc(Br)s1)NC[C@H]1CCCC[N@H+]1CCO ZINC000876283424 656592526 /nfs/dbraw/zinc/59/25/26/656592526.db2.gz PUORBQKSXXJBDZ-SNVBAGLBSA-N 1 0 377.308 1.552 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923715739 656595034 /nfs/dbraw/zinc/59/50/34/656595034.db2.gz ZGMJKEHTOBMWHU-VHSXEESVSA-N 1 0 393.278 1.827 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923736270 656596458 /nfs/dbraw/zinc/59/64/58/656596458.db2.gz PEWUNZKBWIVPJD-INIZCTEOSA-N 1 0 388.511 1.005 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000923736709 656596514 /nfs/dbraw/zinc/59/65/14/656596514.db2.gz NRIQLKJFYPQVRJ-SKDRFNHKSA-N 1 0 391.287 1.641 20 0 GDADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1sccc1Br ZINC000876472461 656606682 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1.772 20 0 GDADRO Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876752899 656628440 /nfs/dbraw/zinc/62/84/40/656628440.db2.gz CMMPMBPJXKPDID-ZDUSSCGKSA-N 1 0 378.274 1.650 20 0 GDADRO COC[C@@]1(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C[NH2+]CCO1 ZINC000876764002 656629010 /nfs/dbraw/zinc/62/90/10/656629010.db2.gz RMZJBTGOJQMLQR-CXAGYDPISA-N 1 0 398.301 1.149 20 0 GDADRO Cn1nc(Cl)c(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1Cl ZINC000876789070 656630986 /nfs/dbraw/zinc/63/09/86/656630986.db2.gz VGYLMTNYMYPVJH-QWRGUYRKSA-N 1 0 388.299 1.447 20 0 GDADRO Cn1nc(I)cc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000876826235 656633748 /nfs/dbraw/zinc/63/37/48/656633748.db2.gz LPHCEGQGTPZWFU-UHFFFAOYSA-N 1 0 382.205 1.558 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000876846975 656634964 /nfs/dbraw/zinc/63/49/64/656634964.db2.gz HEKBYNMVSJLSGU-FXUDXRNXSA-N 1 0 393.281 1.698 20 0 GDADRO CN(C(=O)CCC12CC(C1)C[NH2+]2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000876890208 656637006 /nfs/dbraw/zinc/63/70/06/656637006.db2.gz XGHFQODMVGYRFT-GMQFJONSSA-N 1 0 380.286 1.966 20 0 GDADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000876902611 656638636 /nfs/dbraw/zinc/63/86/36/656638636.db2.gz ORAVVEUNHSBXDQ-CYBMUJFWSA-N 1 0 386.543 1.072 20 0 GDADRO C[C@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)CCN1S(C)(=O)=O ZINC000876904370 656638720 /nfs/dbraw/zinc/63/87/20/656638720.db2.gz BXJDQKZQOHZLOD-GWCFXTLKSA-N 1 0 379.404 1.198 20 0 GDADRO Nc1cc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc(Br)n1 ZINC000876913560 656639118 /nfs/dbraw/zinc/63/91/18/656639118.db2.gz IOFZQBUWXMPPBR-UHFFFAOYSA-N 1 0 382.306 1.373 20 0 GDADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000876910791 656639294 /nfs/dbraw/zinc/63/92/94/656639294.db2.gz MLUHLWLZTBUJDY-RYBZSIHZSA-N 1 0 389.880 1.429 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876910813 656639310 /nfs/dbraw/zinc/63/93/10/656639310.db2.gz NHDPRQCHDZUBLC-ZBFHGGJFSA-N 1 0 389.880 1.406 20 0 GDADRO Nc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc(Br)n1 ZINC000876950252 656641964 /nfs/dbraw/zinc/64/19/64/656641964.db2.gz IVBMQQQKPSFBDD-XQQFMLRXSA-N 1 0 383.290 1.927 20 0 GDADRO COC[C@]1(C(=O)NCC(F)(F)c2ccc(Br)cc2)C[NH2+]CCO1 ZINC000876984681 656644275 /nfs/dbraw/zinc/64/42/75/656644275.db2.gz KESZQCAUGLSFQX-AWEZNQCLSA-N 1 0 393.228 1.662 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCOCCS(C)(=O)=O)C12CCC2 ZINC000877045183 656649252 /nfs/dbraw/zinc/64/92/52/656649252.db2.gz RPKAKRVLSBCEKF-KBPBESRZSA-N 1 0 376.519 1.473 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCOCCS(C)(=O)=O)C12CCC2 ZINC000877045184 656649266 /nfs/dbraw/zinc/64/92/66/656649266.db2.gz RPKAKRVLSBCEKF-KGLIPLIRSA-N 1 0 376.519 1.473 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C[NH2+]1 ZINC000877049762 656649820 /nfs/dbraw/zinc/64/98/20/656649820.db2.gz WRVROMIGVRKMPL-QWHCGFSZSA-N 1 0 385.917 1.995 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000877099862 656652660 /nfs/dbraw/zinc/65/26/60/656652660.db2.gz LPGXISLLYAYESY-ZDUSSCGKSA-N 1 0 381.523 1.688 20 0 GDADRO COc1cc(I)c(C(=O)N(C)C[C@@H](C)[NH3+])cc1OC ZINC000877100038 656652685 /nfs/dbraw/zinc/65/26/85/656652685.db2.gz QBTZAZMEYKPGTL-MRVPVSSYSA-N 1 0 378.210 1.728 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000877100782 656653046 /nfs/dbraw/zinc/65/30/46/656653046.db2.gz BUURTFUJVKZTRF-LLVKDONJSA-N 1 0 377.304 1.809 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000877173220 656658370 /nfs/dbraw/zinc/65/83/70/656658370.db2.gz AXDMAALRQZGUKJ-DGCLKSJQSA-N 1 0 386.905 1.084 20 0 GDADRO COC[C@]1(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C[NH2+]CCO1 ZINC000877175800 656658779 /nfs/dbraw/zinc/65/87/79/656658779.db2.gz NHPFGVZPMSKJMV-HWMZRRJGSA-N 1 0 381.270 1.208 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000877263095 656662343 /nfs/dbraw/zinc/66/23/43/656662343.db2.gz 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[NH3+]C[C@@H]1CN(C(=O)c2cnn3cc(Br)cnc23)C[C@@H]1C(F)(F)F ZINC000877356066 656669026 /nfs/dbraw/zinc/66/90/26/656669026.db2.gz DNUWCHDBUJSITQ-XCBNKYQSSA-N 1 0 392.179 1.701 20 0 GDADRO CCc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877359407 656669618 /nfs/dbraw/zinc/66/96/18/656669618.db2.gz SKUFXUDGAIBSQT-FZMZJTMJSA-N 1 0 378.416 1.862 20 0 GDADRO C[NH+](C)C[C@@H]1NC(=O)N(CCOc2ncc(C(F)(F)F)cc2Cl)C1=O ZINC000924702694 656670587 /nfs/dbraw/zinc/67/05/87/656670587.db2.gz SJOPFEDGFIBPFB-JTQLQIEISA-N 1 0 380.754 1.615 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1cc(Br)ccc1Cl ZINC000924718159 656671620 /nfs/dbraw/zinc/67/16/20/656671620.db2.gz XTYORXBTXCMHAI-GFCCVEGCSA-N 1 0 376.682 1.968 20 0 GDADRO CN(CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)C(=O)c1ccc(Br)s1 ZINC000877396098 656673227 /nfs/dbraw/zinc/67/32/27/656673227.db2.gz SCWTVLGAPLJPHA-NHYWBVRUSA-N 1 0 386.315 1.983 20 0 GDADRO CN(CCCCCC[NH3+])C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000877441518 656674534 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O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000878213723 656712234 /nfs/dbraw/zinc/71/22/34/656712234.db2.gz JDNPQSUTAPRKPU-LLVKDONJSA-N 1 0 380.250 1.181 20 0 GDADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000925544686 656714701 /nfs/dbraw/zinc/71/47/01/656714701.db2.gz UMVDEJRMMOJBBL-IUODEOHRSA-N 1 0 399.285 1.074 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCCN[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925667737 656716194 /nfs/dbraw/zinc/71/61/94/656716194.db2.gz CSRLCMWIXIJDTB-TZMCWYRMSA-N 1 0 390.347 1.766 20 0 GDADRO C[C@H]([NH2+]CCSCC(F)(F)F)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925673609 656716267 /nfs/dbraw/zinc/71/62/67/656716267.db2.gz CZZDPGKFZPFDKS-JTQLQIEISA-N 1 0 384.445 1.892 20 0 GDADRO OC[C@H]([NH2+]CCn1cnnn1)c1ccc(Br)cc1C(F)(F)F ZINC000878543404 656732051 /nfs/dbraw/zinc/73/20/51/656732051.db2.gz ARDDLKJBGSEQIL-NSHDSACASA-N 1 0 380.168 1.778 20 0 GDADRO Cn1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc(Br)c1=O ZINC000926064889 656733083 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C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)CC[C@H]1C[NH3+] ZINC000926286546 656743983 /nfs/dbraw/zinc/74/39/83/656743983.db2.gz HXWRQOQHPPFLOJ-QWRGUYRKSA-N 1 0 388.331 1.912 20 0 GDADRO CON1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000926411637 656753112 /nfs/dbraw/zinc/75/31/12/656753112.db2.gz VKOZNEUJHGQVDN-UHFFFAOYSA-N 1 0 382.313 1.887 20 0 GDADRO COc1cc(NC(=O)NCC[N@H+](C)CCOCCO)ccc1Br ZINC000878860004 656753665 /nfs/dbraw/zinc/75/36/65/656753665.db2.gz XDQZCXMREWAZQZ-UHFFFAOYSA-N 1 0 390.278 1.520 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)C[C@@H]1[NH3+] ZINC000926431964 656754100 /nfs/dbraw/zinc/75/41/00/656754100.db2.gz JMUCZQKXNDTLCE-XPTSAGLGSA-N 1 0 384.249 1.279 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1=O ZINC000878892945 656757154 /nfs/dbraw/zinc/75/71/54/656757154.db2.gz HTQABJRRGQTIBY-NSHDSACASA-N 1 0 387.278 1.115 20 0 GDADRO C[C@H](NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)C(C)(C)C[NH+](C)C ZINC000878956323 656763244 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1.737 20 0 GDADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+][C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000926784136 656779627 /nfs/dbraw/zinc/77/96/27/656779627.db2.gz CVEVBJRGMBPMJU-UGUYLWEFSA-N 1 0 377.282 1.972 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(Br)cn1)C1CCN(S(C)(=O)=O)CC1 ZINC000926801406 656780021 /nfs/dbraw/zinc/78/00/21/656780021.db2.gz ANPLXIQFXFWXHQ-NSHDSACASA-N 1 0 376.320 1.994 20 0 GDADRO Cn1cc(C(=O)NC[C@H]2CCCN2Cc2ncccc2Br)cn1 ZINC000879188022 656780808 /nfs/dbraw/zinc/78/08/08/656780808.db2.gz GAUJXSXHKQXXET-CYBMUJFWSA-N 1 0 378.274 1.972 20 0 GDADRO COc1cc([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)ccc1S(C)(=O)=O ZINC000926952720 656782403 /nfs/dbraw/zinc/78/24/03/656782403.db2.gz CAMKEAFSDJAIHG-LBPRGKRZSA-N 1 0 377.528 1.820 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 ZINC000879482917 656797472 /nfs/dbraw/zinc/79/74/72/656797472.db2.gz GBEJRKIWYWEFEL-CQSZACIVSA-N 1 0 383.539 1.356 20 0 GDADRO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)ccc1C ZINC000879559758 656805562 /nfs/dbraw/zinc/80/55/62/656805562.db2.gz CWAAVIQTYWDSOH-KBPBESRZSA-N 1 0 383.539 1.527 20 0 GDADRO CN1CC[NH+](C2CCN([C@H](C(N)=O)c3cccc(Br)c3)CC2)CC1 ZINC000879593620 656807554 /nfs/dbraw/zinc/80/75/54/656807554.db2.gz IAJQRSBOLIZESP-KRWDZBQOSA-N 1 0 395.345 1.687 20 0 GDADRO Cn1nc(Br)cc1NC(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000879640769 656812873 /nfs/dbraw/zinc/81/28/73/656812873.db2.gz PWSFRUUMLVXRFY-LLVKDONJSA-N 1 0 399.293 1.001 20 0 GDADRO COC[C@H]([NH2+]CCN1CCCS1(=O)=O)c1cccc(Br)c1 ZINC000879663438 656818096 /nfs/dbraw/zinc/81/80/96/656818096.db2.gz ZWMJDHCZMREQIN-AWEZNQCLSA-N 1 0 377.304 1.762 20 0 GDADRO Cn1cc(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000927626108 656818298 /nfs/dbraw/zinc/81/82/98/656818298.db2.gz HQBNLNYYEJOICE-QGZVFWFLSA-N 1 0 393.285 1.436 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CCn2ncc(Br)c2C1 ZINC000927629758 656819422 /nfs/dbraw/zinc/81/94/22/656819422.db2.gz LPSBINIFTQBLFT-CYBMUJFWSA-N 1 0 398.305 1.424 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CCn2ncc(Br)c2C1 ZINC000927629760 656819439 /nfs/dbraw/zinc/81/94/39/656819439.db2.gz LPSBINIFTQBLFT-ZDUSSCGKSA-N 1 0 398.305 1.424 20 0 GDADRO O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927631428 656820549 /nfs/dbraw/zinc/82/05/49/656820549.db2.gz SYCLKQRPAMULQH-GHMZBOCLSA-N 1 0 375.338 1.097 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879701721 656821774 /nfs/dbraw/zinc/82/17/74/656821774.db2.gz UIEYSLKGFOKXNP-GJZGRUSLSA-N 1 0 375.535 1.647 20 0 GDADRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000879849224 656835667 /nfs/dbraw/zinc/83/56/67/656835667.db2.gz KOJZDDIGRXBYJK-GFCCVEGCSA-N 1 0 398.305 1.896 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000927841551 656843453 /nfs/dbraw/zinc/84/34/53/656843453.db2.gz GGZVHNSNUFKMKK-HTQZYQBOSA-N 1 0 395.179 1.439 20 0 GDADRO [NH3+]C1CCN(CCNC(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000927842236 656843864 /nfs/dbraw/zinc/84/38/64/656843864.db2.gz WNVLOYMGLGVFEI-UHFFFAOYSA-N 1 0 387.253 1.066 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@H]1[NH3+] ZINC000927852298 656845587 /nfs/dbraw/zinc/84/55/87/656845587.db2.gz ISKQFEHURUPCEN-SNVBAGLBSA-N 1 0 376.201 1.862 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2cccc(I)c2)C[C@@H]1[NH3+] ZINC000927856625 656846249 /nfs/dbraw/zinc/84/62/49/656846249.db2.gz CZVCRTNZPAVVJI-NSHDSACASA-N 1 0 387.221 1.425 20 0 GDADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1cccc(Br)n1)CC2 ZINC000927876820 656848419 /nfs/dbraw/zinc/84/84/19/656848419.db2.gz RQHUAZIPSUHIDH-NSHDSACASA-N 1 0 397.273 1.139 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000927881642 656849640 /nfs/dbraw/zinc/84/96/40/656849640.db2.gz FBPFJQCUSIXBBN-AWEZNQCLSA-N 1 0 390.665 1.353 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000927926297 656854671 /nfs/dbraw/zinc/85/46/71/656854671.db2.gz AFDYWULQPAXIQW-JGVFFNPUSA-N 1 0 376.201 1.909 20 0 GDADRO 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GDADRO C[C@@H]1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C[C@@H]1C[NH3+] ZINC000884340018 657348670 /nfs/dbraw/zinc/34/86/70/657348670.db2.gz BTHSUGNQXRDXAG-GMXABZIVSA-N 1 0 381.270 1.974 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884435323 657356628 /nfs/dbraw/zinc/35/66/28/657356628.db2.gz TZBGUGAPIVNVAK-AWEZNQCLSA-N 1 0 385.258 1.225 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884435324 657356654 /nfs/dbraw/zinc/35/66/54/657356654.db2.gz TZBGUGAPIVNVAK-CQSZACIVSA-N 1 0 385.258 1.225 20 0 GDADRO CC1(C)CC[C@H](CNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)[NH2+]C1 ZINC000884455916 657358718 /nfs/dbraw/zinc/35/87/18/657358718.db2.gz WSOFLACBFFXDRO-CHWSQXEVSA-N 1 0 385.555 1.482 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884496394 657360904 /nfs/dbraw/zinc/36/09/04/657360904.db2.gz VIPUGVPEDILCTG-GJZGRUSLSA-N 1 0 380.286 1.727 20 0 GDADRO O=C(NCCCc1ccc(Br)cc1F)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884509700 657361901 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396.257 1.488 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884659899 657369413 /nfs/dbraw/zinc/36/94/13/657369413.db2.gz GXVGUVPSPYXTKH-SNVBAGLBSA-N 1 0 386.290 1.879 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC000934666278 657371085 /nfs/dbraw/zinc/37/10/85/657371085.db2.gz PYVTWGVPRZEEAL-YOEHRIQHSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCc1sccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000884684072 657371237 /nfs/dbraw/zinc/37/12/37/657371237.db2.gz WMTDDLMCPFZWOD-WDEREUQCSA-N 1 0 388.331 1.674 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000884686084 657371534 /nfs/dbraw/zinc/37/15/34/657371534.db2.gz XUDPPNVNOIJULC-UWVGGRQHSA-N 1 0 378.782 1.756 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000884720004 657375395 /nfs/dbraw/zinc/37/53/95/657375395.db2.gz DMLNGECAXJCUAI-BXKDBHETSA-N 1 0 375.803 1.672 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)c1 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ZDXHOWRTJZOLBI-SWLSCSKDSA-N 1 0 394.313 1.793 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)CC[C@@H]1[NH3+] ZINC000885102706 657420317 /nfs/dbraw/zinc/42/03/17/657420317.db2.gz ZDXHOWRTJZOLBI-DOMZBBRYSA-N 1 0 394.313 1.793 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C(=O)NCc3ncc(Cl)s3)C2)C1 ZINC000885108068 657420778 /nfs/dbraw/zinc/42/07/78/657420778.db2.gz FNMFNAZJGUKJGK-QJPTWQEYSA-N 1 0 386.905 1.158 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCCc2sccc2Br)CC1 ZINC000885210134 657428767 /nfs/dbraw/zinc/42/87/67/657428767.db2.gz KBPQRPKAFDVKLF-UHFFFAOYSA-N 1 0 388.331 1.627 20 0 GDADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)NCc3cscc3Cl)CC2)C1 ZINC000885235669 657431740 /nfs/dbraw/zinc/43/17/40/657431740.db2.gz RGPDCBYVHDSRNI-HIFRSBDPSA-N 1 0 385.917 1.763 20 0 GDADRO C[NH+]1CCC(OCC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000935644721 657459869 /nfs/dbraw/zinc/45/98/69/657459869.db2.gz NYEFQVNHAKVHBP-HNNXBMFYSA-N 1 0 399.329 1.827 20 0 GDADRO O=C(CNS(=O)(=O)CCC[NH+]1CCCC1)c1ccc(Br)cn1 ZINC000885467725 657477035 /nfs/dbraw/zinc/47/70/35/657477035.db2.gz WIBVJMWDMZSAHT-UHFFFAOYSA-N 1 0 390.303 1.432 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)cnc1C1CC1 ZINC000935842398 657498699 /nfs/dbraw/zinc/49/86/99/657498699.db2.gz HYADIXNPFVGVQL-CQSZACIVSA-N 1 0 379.302 1.841 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cnn2cccc(Br)c12 ZINC000935843779 657499851 /nfs/dbraw/zinc/49/98/51/657499851.db2.gz VVKPGIIEIMDQCX-LBPRGKRZSA-N 1 0 378.274 1.217 20 0 GDADRO COC1(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)CS(=O)(=O)C1 ZINC000935881927 657508902 /nfs/dbraw/zinc/50/89/02/657508902.db2.gz CRPSKAGXYRCIFH-CQSZACIVSA-N 1 0 386.539 1.150 20 0 GDADRO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(=O)n1C ZINC000885883724 657582781 /nfs/dbraw/zinc/58/27/81/657582781.db2.gz ZNPBTFJIXOGBSD-ZDUSSCGKSA-N 1 0 398.301 1.439 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1nn2c(c1Br)CCC2 ZINC000885895620 657585867 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382.277 1.863 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncc(Cl)s2)C1 ZINC001004357507 657716520 /nfs/dbraw/zinc/71/65/20/657716520.db2.gz AVPCOHFMGVPCDT-LOWDOPEQSA-N 1 0 382.917 2.000 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2cc(C)cnc2Cl)CC1 ZINC000886887744 657717359 /nfs/dbraw/zinc/71/73/59/657717359.db2.gz FSLGZZBGAFGKSE-UHFFFAOYSA-N 1 0 388.921 1.312 20 0 GDADRO COC(=O)C1CCN(S(=O)(=O)N(CC[NH3+])Cc2cccc(Cl)c2)CC1 ZINC000886894293 657720981 /nfs/dbraw/zinc/72/09/81/657720981.db2.gz GCLLEVYCXZFPQE-UHFFFAOYSA-N 1 0 389.905 1.231 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1cc2c(cc1Cl)OCCO2 ZINC000886896870 657723215 /nfs/dbraw/zinc/72/32/15/657723215.db2.gz XIVOLWXMBAPLQG-VIFPVBQESA-N 1 0 382.816 1.634 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)c1nc(Cl)cs1 ZINC001005352499 657724140 /nfs/dbraw/zinc/72/41/40/657724140.db2.gz NOEJGNBVCALTDD-UTUOFQBUSA-N 1 0 380.901 1.754 20 0 GDADRO COCCOc1ccc(F)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F 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ZINC000889742556 658026105 /nfs/dbraw/zinc/02/61/05/658026105.db2.gz JSGWRXRTLRBMPH-KGLIPLIRSA-N 1 0 385.306 1.898 20 0 GDADRO O=C(c1cc2ncc(Br)cn2n1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889744666 658027317 /nfs/dbraw/zinc/02/73/17/658027317.db2.gz WXOZXDLBALTDGX-KBPBESRZSA-N 1 0 394.273 1.163 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889839027 658061411 /nfs/dbraw/zinc/06/14/11/658061411.db2.gz VNZVAQHDTWOVRP-UHFFFAOYSA-N 1 0 385.917 1.751 20 0 GDADRO O=C(NCCS(=O)(=O)Cc1ccccc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891436914 658239717 /nfs/dbraw/zinc/23/97/17/658239717.db2.gz QPZFQKVJYARUQC-AWEZNQCLSA-N 1 0 375.441 1.145 20 0 GDADRO CS(=O)(=O)N1CCC[C@H](NC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)C1 ZINC000891434140 658239799 /nfs/dbraw/zinc/23/97/99/658239799.db2.gz XTPRPAZAEAISBB-HNNXBMFYSA-N 1 0 388.921 1.234 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891465488 658242006 /nfs/dbraw/zinc/24/20/06/658242006.db2.gz VJLQNBZVWBADTC-STQMWFEESA-N 1 0 381.274 1.842 20 0 GDADRO C[NH+]1CCN(CCNc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000891620274 658255581 /nfs/dbraw/zinc/25/55/81/658255581.db2.gz UOZPHCPZOIHYKC-UHFFFAOYSA-N 1 0 376.302 1.987 20 0 GDADRO C[NH+](C)C[C@@H](O)CNc1ncnc2c1cnn2-c1cccc(Br)c1 ZINC000891744792 658268691 /nfs/dbraw/zinc/26/86/91/658268691.db2.gz AQYRIRMQSKIBCB-ZDUSSCGKSA-N 1 0 391.273 1.912 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)s1 ZINC000891841036 658277351 /nfs/dbraw/zinc/27/73/51/658277351.db2.gz MDDGDDOQOXAYMD-CQSZACIVSA-N 1 0 379.507 1.665 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000892074889 658294898 /nfs/dbraw/zinc/29/48/98/658294898.db2.gz CCJXKFQDMPLHKE-PBHICJAKSA-N 1 0 375.535 1.647 20 0 GDADRO Cc1ccc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)n1 ZINC000892108577 658296253 /nfs/dbraw/zinc/29/62/53/658296253.db2.gz UATZJRQTAUMISI-LBPRGKRZSA-N 1 0 379.814 1.679 20 0 GDADRO O=C(NCCc1cc(Cl)cc(Br)c1)NC[C@@H]1C[NH2+]CCO1 ZINC000892184778 658303394 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Cn1ncc(I)c1CN1CCC(OCC[NH+](C)C)CC1 ZINC000894017638 658493483 /nfs/dbraw/zinc/49/34/83/658493483.db2.gz QFFMZYXJMXMFJO-UHFFFAOYSA-N 1 0 392.285 1.567 20 0 GDADRO CC(C)(C)n1nc(Br)c2c1ncnc2N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000894349803 658541911 /nfs/dbraw/zinc/54/19/11/658541911.db2.gz PFIKHEHOUIUNAV-LLVKDONJSA-N 1 0 395.305 1.599 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2nc(Br)c[nH]2)CC1 ZINC000894451873 658560021 /nfs/dbraw/zinc/56/00/21/658560021.db2.gz WLNBDZOFHUAVSC-UHFFFAOYSA-N 1 0 398.349 1.986 20 0 GDADRO O=S(=O)(NC[C@@H]1CCC[N@@H+]([C@@H]2CCC3(C[C@H]2F)OCCO3)C1)C1CC1 ZINC000894521135 658573201 /nfs/dbraw/zinc/57/32/01/658573201.db2.gz SUTZUWBAOFBSKO-NUEKZKHPSA-N 1 0 376.494 1.414 20 0 GDADRO Cc1ncc(I)c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000894624814 658591949 /nfs/dbraw/zinc/59/19/49/658591949.db2.gz NYSYARIELLDGEA-LBPRGKRZSA-N 1 0 388.253 1.425 20 0 GDADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C(F)(F)F ZINC000894681090 658596667 /nfs/dbraw/zinc/59/66/67/658596667.db2.gz FLVOKQHTHKXUCA-SFTQSGBHSA-N 1 0 387.420 1.036 20 0 GDADRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@H](C)CCNS(=O)(=O)c2ccccc2)C1(F)F ZINC000894686666 658597543 /nfs/dbraw/zinc/59/75/43/658597543.db2.gz WEIRCHRRFPTEDX-BNOWGMLFSA-N 1 0 376.425 1.387 20 0 GDADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1cn2ccnc2s1 ZINC000894782173 658611892 /nfs/dbraw/zinc/61/18/92/658611892.db2.gz SEWARXBZKNRMNA-UHFFFAOYSA-N 1 0 384.458 1.693 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000894866226 658628424 /nfs/dbraw/zinc/62/84/24/658628424.db2.gz LHVNJWOZJMFVSL-KBPBESRZSA-N 1 0 391.253 1.434 20 0 GDADRO OCc1c[nH+]ccc1N1CCN(c2ncc(I)cn2)CC1 ZINC000894905253 658633668 /nfs/dbraw/zinc/63/36/68/658633668.db2.gz CJADZVQSIQNPKI-UHFFFAOYSA-N 1 0 397.220 1.295 20 0 GDADRO CCCN1C[C@@H](C[NH2+]Cc2c(I)cnn2C)CC1=O ZINC000895029391 658650893 /nfs/dbraw/zinc/65/08/93/658650893.db2.gz FSOYXHGMQGCHMY-SNVBAGLBSA-N 1 0 376.242 1.373 20 0 GDADRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(Br)cc2)C[C@@H]1S(C)(=O)=O ZINC000895509747 658706185 /nfs/dbraw/zinc/70/61/85/658706185.db2.gz ZEZFLCONTVUXRZ-GXTWGEPZSA-N 1 0 376.272 1.515 20 0 GDADRO COC(=O)[C@@]1(C[NH2+]Cc2cc(F)cc(Br)c2)C[C@@H]1S(C)(=O)=O ZINC000895510357 658706971 /nfs/dbraw/zinc/70/69/71/658706971.db2.gz OOSMBDRAIDEMQG-GXTWGEPZSA-N 1 0 394.262 1.654 20 0 GDADRO Oc1cc(Br)cnc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000895586097 658713100 /nfs/dbraw/zinc/71/31/00/658713100.db2.gz LNJPTVGNXLPQJY-LLVKDONJSA-N 1 0 390.245 1.356 20 0 GDADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000895772734 658727867 /nfs/dbraw/zinc/72/78/67/658727867.db2.gz KFSQKYKWYPXWTJ-HNNXBMFYSA-N 1 0 397.269 1.605 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C[C@@H]2C[C@@]2(C)Br)c1 ZINC000895964305 658742383 /nfs/dbraw/zinc/74/23/83/658742383.db2.gz LUFKHLPSAIPFHE-IINYFYTJSA-N 1 0 390.303 1.296 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000895984803 658742884 /nfs/dbraw/zinc/74/28/84/658742884.db2.gz IIBFAKHDTZFBTD-UHFFFAOYSA-N 1 0 388.213 1.333 20 0 GDADRO CC(C)(C[NH2+]Cc1nnc2n1CCNC2=O)c1ccc(Br)cc1 ZINC000896010245 658745006 /nfs/dbraw/zinc/74/50/06/658745006.db2.gz UTVRDNBMELOWCF-UHFFFAOYSA-N 1 0 378.274 1.851 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000896078185 658748942 /nfs/dbraw/zinc/74/89/42/658748942.db2.gz VQIDVMUUHBGASR-HYVNUMGLSA-N 1 0 394.313 1.843 20 0 GDADRO CCO[C@@H](CNc1cnn(-c2ccccn2)c(=O)c1Br)C[NH+](C)C ZINC000896114313 658751970 /nfs/dbraw/zinc/75/19/70/658751970.db2.gz YJGKCTQDPMYDRA-LBPRGKRZSA-N 1 0 396.289 1.769 20 0 GDADRO CO[C@@H](C[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CC1 ZINC000896202058 658757286 /nfs/dbraw/zinc/75/72/86/658757286.db2.gz DGMRIKMZOHAJEM-CABCVRRESA-N 1 0 376.519 1.425 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000896333406 658769215 /nfs/dbraw/zinc/76/92/15/658769215.db2.gz HGPCBTJHAZTMBW-UHFFFAOYSA-N 1 0 385.306 1.775 20 0 GDADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1nn2c(c1Br)CCC2 ZINC000896376902 658773181 /nfs/dbraw/zinc/77/31/81/658773181.db2.gz IDTGUIOFLXZYHZ-ZDUSSCGKSA-N 1 0 397.317 1.965 20 0 GDADRO C[C@H](NC(=O)c1cc(Br)cnc1N(C)C)[C@H]1C[N@H+](C)CCN1C ZINC000896561751 658790013 /nfs/dbraw/zinc/79/00/13/658790013.db2.gz CHIXFBBNOJIIIG-SMDDNHRTSA-N 1 0 384.322 1.274 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896563071 658790120 /nfs/dbraw/zinc/79/01/20/658790120.db2.gz JAQLDQDHYWSOAV-ABAIWWIYSA-N 1 0 388.921 1.076 20 0 GDADRO C[C@H](NC(=O)c1cc2c(c(Br)c1)OCO2)[C@@H]1C[N@H+](C)CCN1C ZINC000896570156 658790943 /nfs/dbraw/zinc/79/09/43/658790943.db2.gz XUARTRYDFNHKNX-GWCFXTLKSA-N 1 0 384.274 1.542 20 0 GDADRO C[C@@H](NC(=O)c1ccccc1I)[C@@H]1C[N@H+](C)CCN1C ZINC000896579352 658791189 /nfs/dbraw/zinc/79/11/89/658791189.db2.gz GGRMYZCNZFZRHG-RISCZKNCSA-N 1 0 387.265 1.655 20 0 GDADRO C[C@@H](NC(=O)COc1ccc(Br)cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896582150 658791696 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1.407 20 0 GDADRO COc1cc([C@H](C)[NH2+]C2CC(CC(N)=O)C2)ccc1S(=O)(=O)C(F)F ZINC000903261712 659311201 /nfs/dbraw/zinc/31/12/01/659311201.db2.gz VVXXTMAHIPTEKT-BMQDGWLCSA-N 1 0 376.425 1.996 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903291144 659312254 /nfs/dbraw/zinc/31/22/54/659312254.db2.gz PVKQJMBULFHFPR-CQSZACIVSA-N 1 0 389.543 1.013 20 0 GDADRO CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903493109 659318047 /nfs/dbraw/zinc/31/80/47/659318047.db2.gz NWNDPZXXYFOJSK-CQSZACIVSA-N 1 0 393.303 1.971 20 0 GDADRO [NH3+][C@H]1CCCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903510281 659320871 /nfs/dbraw/zinc/32/08/71/659320871.db2.gz GEFPDNZJRSLJJO-JTQLQIEISA-N 1 0 377.260 1.431 20 0 GDADRO COC(=O)c1ccsc1N1CC[C@@H](N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1=O ZINC000903513628 659322893 /nfs/dbraw/zinc/32/28/93/659322893.db2.gz QDHHVVHKZOFVBD-GMTAPVOTSA-N 1 0 377.388 1.461 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CCO1 ZINC000903513870 659323407 /nfs/dbraw/zinc/32/34/07/659323407.db2.gz IRMQHGWFVZUZQZ-SNVBAGLBSA-N 1 0 383.695 1.592 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1F ZINC000903518462 659325453 /nfs/dbraw/zinc/32/54/53/659325453.db2.gz ORCSLDROGAQECV-PSASIEDQSA-N 1 0 381.267 1.873 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903522594 659328750 /nfs/dbraw/zinc/32/87/50/659328750.db2.gz SYDVIUCMGTUBBI-ONGXEEELSA-N 1 0 391.287 1.725 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903534640 659332100 /nfs/dbraw/zinc/33/21/00/659332100.db2.gz SKTIUTPWNOPELZ-BDAKNGLRSA-N 1 0 381.267 1.731 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903533304 659332125 /nfs/dbraw/zinc/33/21/25/659332125.db2.gz BQGIOXPIKNJRDU-KOLCDFICSA-N 1 0 380.388 1.626 20 0 GDADRO COCCN(C(C)=O)c1nc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cs1 ZINC000903541193 659333835 /nfs/dbraw/zinc/33/38/35/659333835.db2.gz SZHBEBGEEPUOAE-OLZOCXBDSA-N 1 0 380.436 1.854 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000903543265 659335306 /nfs/dbraw/zinc/33/53/06/659335306.db2.gz VPSMCGFGPOJHJA-UHFFFAOYSA-N 1 0 382.404 1.756 20 0 GDADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2nc[nH]c2Br)CCC1 ZINC000903547914 659337151 /nfs/dbraw/zinc/33/71/51/659337151.db2.gz XUGUUCGEFLHXNO-JTQLQIEISA-N 1 0 377.308 1.844 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1ccc(Cl)cc1OC)C2 ZINC000903549071 659337860 /nfs/dbraw/zinc/33/78/60/659337860.db2.gz UGBZNJRJAAWTNY-IETSOEAISA-N 1 0 388.873 1.250 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1cc(F)c(F)c(F)c1)C2 ZINC000903551506 659338434 /nfs/dbraw/zinc/33/84/34/659338434.db2.gz NIRXQLJGAJFIAR-QQXLSSBLSA-N 1 0 378.372 1.005 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC2(C)C)s1 ZINC000903555032 659339952 /nfs/dbraw/zinc/33/99/52/659339952.db2.gz YWINZACZDWEGGR-AWEZNQCLSA-N 1 0 387.571 1.729 20 0 GDADRO Cc1nc(C)c(S(=O)(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)s1 ZINC000903560888 659341194 /nfs/dbraw/zinc/34/11/94/659341194.db2.gz CWAVENCPODDNFL-UHFFFAOYSA-N 1 0 380.539 1.644 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903561442 659341230 /nfs/dbraw/zinc/34/12/30/659341230.db2.gz VJTVGXPTVRTTCJ-WHGOUJPWSA-N 1 0 379.251 1.768 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000903566366 659343384 /nfs/dbraw/zinc/34/33/84/659343384.db2.gz REFWCNLZDRRQHP-UHFFFAOYSA-N 1 0 383.848 1.643 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903570566 659344618 /nfs/dbraw/zinc/34/46/18/659344618.db2.gz QVXXFBDJZSQJCQ-GHMZBOCLSA-N 1 0 386.779 1.637 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000903570513 659344687 /nfs/dbraw/zinc/34/46/87/659344687.db2.gz MYFNEMQVZSCBSL-MWLCHTKSSA-N 1 0 385.795 1.809 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(C)c1 ZINC000903578299 659349286 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CHSHYBPGWOOBJH-DTWKUNHWSA-N 1 0 389.346 1.626 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000903583065 659353136 /nfs/dbraw/zinc/35/31/36/659353136.db2.gz BHCXAONCNYIVCJ-QMTHXVAHSA-N 1 0 377.388 1.689 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903584729 659353646 /nfs/dbraw/zinc/35/36/46/659353646.db2.gz QWOSKQGCQYVPEW-NSHDSACASA-N 1 0 381.267 1.955 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H]4CC[C@]43C[NH3+])c(Cl)cc21 ZINC000903584680 659353701 /nfs/dbraw/zinc/35/37/01/659353701.db2.gz LFXKVOPRNKKYOT-GUYCJALGSA-N 1 0 383.901 1.751 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c(Br)c1 ZINC000903592643 659356631 /nfs/dbraw/zinc/35/66/31/659356631.db2.gz HDJLANLHLNMEOG-CQSZACIVSA-N 1 0 375.288 1.974 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593527 659357218 /nfs/dbraw/zinc/35/72/18/659357218.db2.gz OLDGZICSVVMKFP-INIZCTEOSA-N 1 0 387.889 1.824 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903795794 659381044 /nfs/dbraw/zinc/38/10/44/659381044.db2.gz OPNCKHUDDJEVQF-SJKOYZFVSA-N 1 0 385.917 1.885 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)CC1 ZINC000903800999 659381407 /nfs/dbraw/zinc/38/14/07/659381407.db2.gz KYISMGDMLPKODG-AWEZNQCLSA-N 1 0 395.301 1.847 20 0 GDADRO O=C1NCCN(C[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(I)cc1 ZINC000903825637 659382579 /nfs/dbraw/zinc/38/25/79/659382579.db2.gz BUZWSPGPFZNBDF-BXUZGUMPSA-N 1 0 385.249 1.374 20 0 GDADRO OC[C@@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000903940096 659389850 /nfs/dbraw/zinc/38/98/50/659389850.db2.gz WJPONQJQPNSXHQ-GDBMZVCRSA-N 1 0 380.290 1.788 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(Cc3cccc(F)c3Cl)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904093678 659394896 /nfs/dbraw/zinc/39/48/96/659394896.db2.gz BWVPCHIAQUBWPU-DMDPSCGWSA-N 1 0 385.848 1.628 20 0 GDADRO CSCc1ccc(-c2noc(C[C@@H]3CS(=O)(=O)[C@H]4C[NH2+]C[C@H]43)n2)cc1 ZINC000904088876 659394908 /nfs/dbraw/zinc/39/49/08/659394908.db2.gz QAHPTRLPERJTGJ-ILXRZTDVSA-N 1 0 379.507 1.775 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Br)cn3)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904106579 659395728 /nfs/dbraw/zinc/39/57/28/659395728.db2.gz YBKFWMMAZWJNSQ-MKPLZMMCSA-N 1 0 399.270 1.069 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000904278792 659398675 /nfs/dbraw/zinc/39/86/75/659398675.db2.gz MOUSAQSTXLBEGD-SNVBAGLBSA-N 1 0 386.246 1.672 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)Nc1ccncc1I ZINC000904411706 659400294 /nfs/dbraw/zinc/40/02/94/659400294.db2.gz WRTCAACXEFLWLR-HZMBPMFUSA-N 1 0 386.237 1.843 20 0 GDADRO C[C@]12CSC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C2 ZINC000904959409 659414774 /nfs/dbraw/zinc/41/47/74/659414774.db2.gz FJRVUOACSRVANG-FJJYHAOUSA-N 1 0 379.448 1.184 20 0 GDADRO C[C@]12CSC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C2 ZINC000904959415 659414818 /nfs/dbraw/zinc/41/48/18/659414818.db2.gz FJRVUOACSRVANG-OXIQGZBJSA-N 1 0 379.448 1.184 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905006750 659416763 /nfs/dbraw/zinc/41/67/63/659416763.db2.gz FBSJDKSDORBTKG-IAQYHMDHSA-N 1 0 386.315 1.809 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905013356 659417103 /nfs/dbraw/zinc/41/71/03/659417103.db2.gz RMPQXOJAMNPILZ-OAHLLOKOSA-N 1 0 386.315 1.824 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905011117 659417157 /nfs/dbraw/zinc/41/71/57/659417157.db2.gz HREJHPTVCPUQIR-OAHLLOKOSA-N 1 0 386.315 1.824 20 0 GDADRO CN(C)C1(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCCC1 ZINC000905049194 659419334 /nfs/dbraw/zinc/41/93/34/659419334.db2.gz IJLJCJNUVCPGKU-HNNXBMFYSA-N 1 0 375.579 1.452 20 0 GDADRO COC1CCC(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905157277 659427696 /nfs/dbraw/zinc/42/76/96/659427696.db2.gz ZMMYQTSTIFIDQH-GPANFISMSA-N 1 0 376.563 1.783 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)CCC1(O)CCC1)c1ccc(Cl)s1 ZINC000905179023 659430162 /nfs/dbraw/zinc/43/01/62/659430162.db2.gz GHSYQAJFAWIINV-LLVKDONJSA-N 1 0 382.935 1.326 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CCCc2nccs2)CCC1 ZINC000905263755 659438253 /nfs/dbraw/zinc/43/82/53/659438253.db2.gz PJPIMKSTZRAIMV-ZDUSSCGKSA-N 1 0 375.560 1.667 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000905344747 659444968 /nfs/dbraw/zinc/44/49/68/659444968.db2.gz YNKZFDILNPDPCI-UHFFFAOYSA-N 1 0 378.397 1.436 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000905355536 659446194 /nfs/dbraw/zinc/44/61/94/659446194.db2.gz GGJDWENXYYUETH-CYBMUJFWSA-N 1 0 380.436 1.838 20 0 GDADRO COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905359003 659446632 /nfs/dbraw/zinc/44/66/32/659446632.db2.gz JJXPCJQCTABIET-KRWDZBQOSA-N 1 0 388.917 1.733 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CCC2SCCS2)CCC1 ZINC000905379735 659450132 /nfs/dbraw/zinc/45/01/32/659450132.db2.gz GFJJWEWMIOZSSU-GFCCVEGCSA-N 1 0 382.617 1.774 20 0 GDADRO O=C1COC[C@@]2(C[NH2+]C[C@H](O)c3ccc(Cl)c(Cl)c3)COCCN12 ZINC000905407594 659451407 /nfs/dbraw/zinc/45/14/07/659451407.db2.gz DMZGOHAPGJGLQE-GOEBONIOSA-N 1 0 375.252 1.244 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@]1(C)CC1(C)C ZINC000905424523 659451902 /nfs/dbraw/zinc/45/19/02/659451902.db2.gz IMDUHTKHGXXCHU-KRWDZBQOSA-N 1 0 388.555 1.736 20 0 GDADRO O=c1[nH]c(=O)n(C2CC2)cc1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000905427420 659452652 /nfs/dbraw/zinc/45/26/52/659452652.db2.gz OACASYBNGWWDGH-AWEZNQCLSA-N 1 0 380.242 1.870 20 0 GDADRO OC[C@H](C[C@H]1CCCO1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000905463195 659455282 /nfs/dbraw/zinc/45/52/82/659455282.db2.gz YHLNDSWBVOISMX-SOUVJXGZSA-N 1 0 392.265 1.848 20 0 GDADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]C[C@@]2(OC)CCSC2)CC1 ZINC000905547431 659463990 /nfs/dbraw/zinc/46/39/90/659463990.db2.gz WXJLLGYXEPDDPS-LSCKAKRGSA-N 1 0 375.531 1.334 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)N1CCCC1 ZINC000905663931 659472837 /nfs/dbraw/zinc/47/28/37/659472837.db2.gz JGERDWLIGNEVLK-AWEZNQCLSA-N 1 0 380.432 1.624 20 0 GDADRO C[C@H](OC[C@H](O)C[NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(Cl)cc1 ZINC000905665555 659473258 /nfs/dbraw/zinc/47/32/58/659473258.db2.gz UOBSEWZHDPQFHR-WMLDXEAASA-N 1 0 390.933 1.794 20 0 GDADRO O=c1ccn(CCC[NH2+]C[C@H](O)COc2cccc(Br)c2)c(=O)[nH]1 ZINC000905701499 659477551 /nfs/dbraw/zinc/47/75/51/659477551.db2.gz FGCMDBRCYVOJIO-ZDUSSCGKSA-N 1 0 398.257 1.131 20 0 GDADRO NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000905791378 659482332 /nfs/dbraw/zinc/48/23/32/659482332.db2.gz ATCOIAUWKZSCEN-KBPBESRZSA-N 1 0 378.416 1.659 20 0 GDADRO C=Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000906066645 659516412 /nfs/dbraw/zinc/51/64/12/659516412.db2.gz DXNXZIOEIXFAED-INIZCTEOSA-N 1 0 386.539 1.459 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000906386496 659536626 /nfs/dbraw/zinc/53/66/26/659536626.db2.gz WDDYETFPWLJQEL-HNNXBMFYSA-N 1 0 382.302 1.882 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1nscc1I ZINC000906578970 659557329 /nfs/dbraw/zinc/55/73/29/659557329.db2.gz MQXMTZOAYGSFCZ-UHFFFAOYSA-N 1 0 383.255 1.398 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccn2ncc(Br)c12 ZINC000906602552 659560168 /nfs/dbraw/zinc/56/01/68/659560168.db2.gz QROSNSRDNKYFIC-LBPRGKRZSA-N 1 0 380.290 1.463 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)C1 ZINC000906621738 659562009 /nfs/dbraw/zinc/56/20/09/659562009.db2.gz JRYQATIRBLLFFX-ZDUSSCGKSA-N 1 0 387.527 1.175 20 0 GDADRO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000906663542 659566582 /nfs/dbraw/zinc/56/65/82/659566582.db2.gz JFJPXRCWONXRSM-CQSZACIVSA-N 1 0 381.489 1.489 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906680345 659569658 /nfs/dbraw/zinc/56/96/58/659569658.db2.gz PPMQOZPBMBNXSK-JQWIXIFHSA-N 1 0 381.889 1.842 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000906706358 659574044 /nfs/dbraw/zinc/57/40/44/659574044.db2.gz PUKDSDNLDQCVJG-LLVKDONJSA-N 1 0 376.201 1.780 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1nscc1I ZINC000906740208 659578243 /nfs/dbraw/zinc/57/82/43/659578243.db2.gz UZSQIWVHDCZOJK-UHFFFAOYSA-N 1 0 395.266 1.324 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906765112 659583590 /nfs/dbraw/zinc/58/35/90/659583590.db2.gz AGKDCBIBWSGTQX-MRXNPFEDSA-N 1 0 382.258 1.751 20 0 GDADRO C[C@H](NC(=O)c1cccn2ncc(Br)c12)[C@H]1C[N@H+](C)CCN1C ZINC000906780951 659586526 /nfs/dbraw/zinc/58/65/26/659586526.db2.gz SZELEOPYDFAZLD-SMDDNHRTSA-N 1 0 380.290 1.461 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000906781803 659587145 /nfs/dbraw/zinc/58/71/45/659587145.db2.gz OKBLBTNEMMBBFV-JTQLQIEISA-N 1 0 390.665 1.488 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000906782966 659587204 /nfs/dbraw/zinc/58/72/04/659587204.db2.gz YGLIBRYKBKSABW-SNVBAGLBSA-N 1 0 388.237 1.282 20 0 GDADRO C[C@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC[N@@H+]1C ZINC000906796668 659589708 /nfs/dbraw/zinc/58/97/08/659589708.db2.gz BWHOIDGCXBUFLO-GXTWGEPZSA-N 1 0 387.527 1.315 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC[N@@H+]1C ZINC000906796670 659589966 /nfs/dbraw/zinc/58/99/66/659589966.db2.gz BWHOIDGCXBUFLO-OCCSQVGLSA-N 1 0 387.527 1.315 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)oc1Cl ZINC000907074781 659660244 /nfs/dbraw/zinc/66/02/44/659660244.db2.gz BRDKHDSJINNEMF-NXEZZACHSA-N 1 0 382.891 1.386 20 0 GDADRO Cn1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)c(I)n1 ZINC000907099290 659666766 /nfs/dbraw/zinc/66/67/66/659666766.db2.gz FCKRAYCMODKMGY-UHFFFAOYSA-N 1 0 390.269 1.875 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 ZINC000907228356 659703576 /nfs/dbraw/zinc/70/35/76/659703576.db2.gz ZTMJYEAEYNMFCN-UHFFFAOYSA-N 1 0 385.511 1.095 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(I)s2)CC1 ZINC000907254538 659710805 /nfs/dbraw/zinc/71/08/05/659710805.db2.gz KVOGRYZHXYDKMR-UHFFFAOYSA-N 1 0 386.280 1.725 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)[NH+](C)C ZINC000907280555 659718230 /nfs/dbraw/zinc/71/82/30/659718230.db2.gz WWKWRHFGGTZIIY-MRVPVSSYSA-N 1 0 396.282 1.306 20 0 GDADRO CN(C(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000907514988 659769946 /nfs/dbraw/zinc/76/99/46/659769946.db2.gz XSSLALQXFLHSEI-DLBZAZTESA-N 1 0 386.323 1.903 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)[C@H](C)C1 ZINC000907519148 659771566 /nfs/dbraw/zinc/77/15/66/659771566.db2.gz PDOACSDUZNDFCL-NEPJUHHUSA-N 1 0 398.301 1.473 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000907558428 659783338 /nfs/dbraw/zinc/78/33/38/659783338.db2.gz VLBODWMNWMAVPM-GMBGOVJBSA-N 1 0 386.543 1.118 20 0 GDADRO Cn1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)c(I)n1 ZINC000907783613 659829617 /nfs/dbraw/zinc/82/96/17/659829617.db2.gz WALOWPAMXIAIGH-UHFFFAOYSA-N 1 0 388.253 1.629 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000908014552 659855604 /nfs/dbraw/zinc/85/56/04/659855604.db2.gz MSPBXVNZQCNFRP-HNNXBMFYSA-N 1 0 382.302 1.882 20 0 GDADRO O=C(c1cccn2ncc(Br)c12)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908199164 659881135 /nfs/dbraw/zinc/88/11/35/659881135.db2.gz FCPCGHIRKPOQIY-RYUDHWBXSA-N 1 0 379.258 1.378 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc2ncc(Br)cn2n1 ZINC000908239282 659885231 /nfs/dbraw/zinc/88/52/31/659885231.db2.gz JTLKPPKIGNRIRE-UHFFFAOYSA-N 1 0 383.294 1.105 20 0 GDADRO CCS(=O)(=O)c1ccccc1CC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000908284882 659892514 /nfs/dbraw/zinc/89/25/14/659892514.db2.gz BNJOFNKXTZDROO-UHFFFAOYSA-N 1 0 384.567 1.966 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)C1 ZINC000908332672 659899190 /nfs/dbraw/zinc/89/91/90/659899190.db2.gz ROALUTSHKRWJNQ-HNNXBMFYSA-N 1 0 397.317 1.317 20 0 GDADRO C[C@H]1CN(C(=O)c2c[nH]nc2I)CC[N@@H+](C2CCC2)C1 ZINC000908357225 659900743 /nfs/dbraw/zinc/90/07/43/659900743.db2.gz FAUKLXAADGTIQT-SNVBAGLBSA-N 1 0 388.253 1.961 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000908457902 659909995 /nfs/dbraw/zinc/90/99/95/659909995.db2.gz QJBFOWFHOHKXOD-QGZVFWFLSA-N 1 0 388.917 1.467 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2ncc(Br)cn2n1 ZINC000908525521 659923332 /nfs/dbraw/zinc/92/33/32/659923332.db2.gz GQRNNAQMMZCACM-GFCCVEGCSA-N 1 0 382.262 1.068 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2ncc(Br)cn2n1 ZINC000908540218 659923953 /nfs/dbraw/zinc/92/39/53/659923953.db2.gz HYYAJIKYHMCTMV-LBPRGKRZSA-N 1 0 382.262 1.068 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000908593105 659926267 /nfs/dbraw/zinc/92/62/67/659926267.db2.gz ULARHHOKYIKMNK-UHFFFAOYSA-N 1 0 396.481 1.710 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000908612526 659926667 /nfs/dbraw/zinc/92/66/67/659926667.db2.gz OESHWFKGHYRVPJ-UHFFFAOYSA-N 1 0 396.289 1.457 20 0 GDADRO COc1cc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)cnc1Br ZINC000909318411 659945516 /nfs/dbraw/zinc/94/55/16/659945516.db2.gz UTFQKBZQMDBTPP-UHFFFAOYSA-N 1 0 399.289 1.185 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)c2cccn3ncc(Br)c23)CC[N@H+](C)C1 ZINC000910413801 659970780 /nfs/dbraw/zinc/97/07/80/659970780.db2.gz VGVFJXOVVXHIRA-LLVKDONJSA-N 1 0 395.257 1.274 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000910848402 659986546 /nfs/dbraw/zinc/98/65/46/659986546.db2.gz NXBNTIGJADCPJL-OAHLLOKOSA-N 1 0 395.301 1.528 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCSc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000910990830 659990283 /nfs/dbraw/zinc/99/02/83/659990283.db2.gz CWDYNKCHHPMPLR-QWHCGFSZSA-N 1 0 375.416 1.633 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911013935 659990915 /nfs/dbraw/zinc/99/09/15/659990915.db2.gz FRHIPDYCAQBKDF-KRWDZBQOSA-N 1 0 380.286 1.462 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911028501 659991293 /nfs/dbraw/zinc/99/12/93/659991293.db2.gz JVHVMKIMTIPLTG-BQDHKBFISA-N 1 0 394.313 1.896 20 0 GDADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000911038180 659991693 /nfs/dbraw/zinc/99/16/93/659991693.db2.gz BZBMKUXIHRKCKJ-RISCZKNCSA-N 1 0 396.285 1.586 20 0 GDADRO CC[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000911039557 659991870 /nfs/dbraw/zinc/99/18/70/659991870.db2.gz LKQAZOWDFCNKKO-UTLUCORTSA-N 1 0 378.420 1.701 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911079507 659993679 /nfs/dbraw/zinc/99/36/79/659993679.db2.gz JMOYETHUDHOVKQ-BXUZGUMPSA-N 1 0 398.301 1.231 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(Br)ccc1C ZINC000911080441 659993782 /nfs/dbraw/zinc/99/37/82/659993782.db2.gz PARGRUNIJCZCQP-HNNXBMFYSA-N 1 0 398.301 1.211 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911088622 659993953 /nfs/dbraw/zinc/99/39/53/659993953.db2.gz SSGGATZOHBZLGF-KRWDZBQOSA-N 1 0 380.286 1.810 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)c1cccc(Cl)c1Cl ZINC000911124382 659995828 /nfs/dbraw/zinc/99/58/28/659995828.db2.gz MGJNIJQRLICSOH-LLVKDONJSA-N 1 0 387.311 1.710 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000911128913 659996115 /nfs/dbraw/zinc/99/61/15/659996115.db2.gz LPYGERPBQXSNDN-GWNIPJSYSA-N 1 0 396.310 1.721 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911136629 659996477 /nfs/dbraw/zinc/99/64/77/659996477.db2.gz AXAPEQFEAAWCTA-VHDGCEQUSA-N 1 0 380.286 1.691 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911155330 659996717 /nfs/dbraw/zinc/99/67/17/659996717.db2.gz INMXFJNPRMWCMI-AWEZNQCLSA-N 1 0 398.301 1.722 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)cc1Br ZINC000911173483 659997325 /nfs/dbraw/zinc/99/73/25/659997325.db2.gz YPHIOEJCSHUJTK-LLVKDONJSA-N 1 0 384.274 1.271 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000911189224 659998092 /nfs/dbraw/zinc/99/80/92/659998092.db2.gz YZCAZDXZRJQNJK-BXUZGUMPSA-N 1 0 382.302 1.567 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)Oc1cccc(Br)c1 ZINC000911207747 659998586 /nfs/dbraw/zinc/99/85/86/659998586.db2.gz LJAASKPXJMEOPM-UHIISALHSA-N 1 0 384.274 1.057 20 0 GDADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C(=O)NCCSC(F)(F)F)C1 ZINC000911215109 659999111 /nfs/dbraw/zinc/99/91/11/659999111.db2.gz MWQZZWQLZKOIIE-JNSHFYNHSA-N 1 0 375.416 1.531 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911248471 659999647 /nfs/dbraw/zinc/99/96/47/659999647.db2.gz BDWNXKJIDZCHNX-HNNXBMFYSA-N 1 0 386.315 1.871 20 0 GDADRO COc1cc(Cl)ccc1CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911254190 660000211 /nfs/dbraw/zinc/00/02/11/660000211.db2.gz FJTCXMGNPPWZKH-GHMZBOCLSA-N 1 0 379.766 1.313 20 0 GDADRO CCc1cnc(CCNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000911254224 660000220 /nfs/dbraw/zinc/00/02/20/660000220.db2.gz FSMZGOVXEZZWCQ-WDEREUQCSA-N 1 0 378.420 1.102 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911256988 660000670 /nfs/dbraw/zinc/00/06/70/660000670.db2.gz YNPUREFCVGMVMN-QMTHXVAHSA-N 1 0 398.301 1.749 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000911256701 660000745 /nfs/dbraw/zinc/00/07/45/660000745.db2.gz ZMAKNNVPFKPNJZ-SJCJKPOMSA-N 1 0 398.276 1.587 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1cc(Br)cc(OC)c1 ZINC000911297930 660002213 /nfs/dbraw/zinc/00/22/13/660002213.db2.gz HGGLELTUGUIMKS-UHFFFAOYSA-N 1 0 386.290 1.708 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)CCC1 ZINC000911297561 660002260 /nfs/dbraw/zinc/00/22/60/660002260.db2.gz GVTQAPJQXWZYCV-UHFFFAOYSA-N 1 0 384.249 1.471 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)CC2 ZINC000911301628 660002408 /nfs/dbraw/zinc/00/24/08/660002408.db2.gz DICCEZJIQZRGCN-MLGOLLRUSA-N 1 0 394.313 1.756 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911303613 660002580 /nfs/dbraw/zinc/00/25/80/660002580.db2.gz SRTBSEOASDOUDU-BYCMXARLSA-N 1 0 395.301 1.622 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)C1 ZINC000911312139 660003264 /nfs/dbraw/zinc/00/32/64/660003264.db2.gz VLZSITUAWXJRST-GXFFZTMASA-N 1 0 398.276 1.717 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000911312982 660003279 /nfs/dbraw/zinc/00/32/79/660003279.db2.gz BPLCZCGYFAGTCI-GFCCVEGCSA-N 1 0 388.693 1.833 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc(Br)cc(OC)c1 ZINC000911345417 660004234 /nfs/dbraw/zinc/00/42/34/660004234.db2.gz HAVRTNLJBFJWCJ-UONOGXRCSA-N 1 0 384.274 1.331 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000911362959 660005150 /nfs/dbraw/zinc/00/51/50/660005150.db2.gz KDEUWISPXJERAZ-YEORSEQZSA-N 1 0 380.286 1.450 20 0 GDADRO [NH3+]C1CCN(CCNC(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000911364488 660005383 /nfs/dbraw/zinc/00/53/83/660005383.db2.gz AFGFOZFDSQMCIW-UHFFFAOYSA-N 1 0 387.311 1.191 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)NCCc1sccc1Br)C(C)C ZINC000911367021 660005741 /nfs/dbraw/zinc/00/57/41/660005741.db2.gz VECQJADKAVUCQN-UHFFFAOYSA-N 1 0 376.320 1.626 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000911378575 660006079 /nfs/dbraw/zinc/00/60/79/660006079.db2.gz SXRUKTFMHPRYCR-PWSUYJOCSA-N 1 0 386.265 1.518 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000911422206 660007017 /nfs/dbraw/zinc/00/70/17/660007017.db2.gz PNMDXHPUSARARU-CYBMUJFWSA-N 1 0 384.274 1.270 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2cc(Br)cc(OC)c2)CC[C@@H]1[NH3+] ZINC000911422327 660007029 /nfs/dbraw/zinc/00/70/29/660007029.db2.gz QFHIUVYYFMWTPF-DOMZBBRYSA-N 1 0 398.301 1.660 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000911430239 660007676 /nfs/dbraw/zinc/00/76/76/660007676.db2.gz WIVWKKNLPKGFCO-OCCSQVGLSA-N 1 0 382.302 1.612 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911430358 660007682 /nfs/dbraw/zinc/00/76/82/660007682.db2.gz ZEZDVKPLRQAYOP-BXUZGUMPSA-N 1 0 382.302 1.469 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000911507555 660009096 /nfs/dbraw/zinc/00/90/96/660009096.db2.gz YZMDSHLLSZVMMC-CYBMUJFWSA-N 1 0 384.249 1.859 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000911555468 660010554 /nfs/dbraw/zinc/01/05/54/660010554.db2.gz BIJNWQFRVWOLQA-IXPVHAAZSA-N 1 0 386.279 1.747 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000911582354 660011651 /nfs/dbraw/zinc/01/16/51/660011651.db2.gz PZPHYNMQAFQSPE-PWSUYJOCSA-N 1 0 386.265 1.648 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)c1cnnn1-c1ccccc1Br ZINC000911629149 660012752 /nfs/dbraw/zinc/01/27/52/660012752.db2.gz UOXGFXYLOBOFSY-UHFFFAOYSA-N 1 0 393.289 1.055 20 0 GDADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(=O)n(C)cc1Br ZINC000911665971 660016828 /nfs/dbraw/zinc/01/68/28/660016828.db2.gz VIBXJBUNATYXLH-ZDUSSCGKSA-N 1 0 380.242 1.586 20 0 GDADRO Cc1cc(C(=O)NCCN2CC[NH2+]CC2)nn1-c1ccccc1Br ZINC000911692909 660017129 /nfs/dbraw/zinc/01/71/29/660017129.db2.gz AATPLPFXXXKSTI-UHFFFAOYSA-N 1 0 392.301 1.578 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CCO1 ZINC000911880531 660020073 /nfs/dbraw/zinc/02/00/73/660020073.db2.gz MOLNAAHXQDANBL-GXFFZTMASA-N 1 0 399.314 1.944 20 0 GDADRO COc1cc(OC)c(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@@H]23)cc1Cl ZINC000911980709 660023263 /nfs/dbraw/zinc/02/32/63/660023263.db2.gz QWGGSOFAWPMPND-HFBDOXOYSA-N 1 0 388.873 1.318 20 0 GDADRO O=C(N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911977180 660023274 /nfs/dbraw/zinc/02/32/74/660023274.db2.gz BIFQHUFCSGROBY-GUYCJALGSA-N 1 0 383.901 1.173 20 0 GDADRO C[C@]1(NC(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)CCS(=O)(=O)C1 ZINC000912037429 660025013 /nfs/dbraw/zinc/02/50/13/660025013.db2.gz QSVQJCMSOJFEMN-ZFWWWQNUSA-N 1 0 389.315 1.402 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N2CCOc3cccc(Br)c3C2)C1 ZINC000912059282 660026038 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c1cc(N2CCOCC2)ccc1-c1ccc(N2CCN3CC[NH2+]C[C@@H]3C2)nn1 ZINC001164399876 718842239 /nfs/dbraw/zinc/84/22/39/718842239.db2.gz ITQZKUHNDCVPPF-LJQANCHMSA-N 1 0 380.496 1.074 20 0 GDADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)c(Cl)n1 ZINC001164405832 718852749 /nfs/dbraw/zinc/85/27/49/718852749.db2.gz MSYFOMYJQPEIRJ-ZUZCIYMTSA-N 1 0 375.803 1.475 20 0 GDADRO COc1ccc2nc(C(F)(F)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)nc(Cl)c2c1 ZINC001164409619 718853727 /nfs/dbraw/zinc/85/37/27/718853727.db2.gz VZCVRUYRVUBUSV-HWPZZCPQSA-N 1 0 384.814 1.855 20 0 GDADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164407127 718860964 /nfs/dbraw/zinc/86/09/64/718860964.db2.gz WUQPMOKWSOYFDT-ZYHUDNBSSA-N 1 0 390.818 1.666 20 0 GDADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@H]3C2)c1 ZINC001164407847 718863490 /nfs/dbraw/zinc/86/34/90/718863490.db2.gz KJOWAGPKLYSAOZ-GWCFXTLKSA-N 1 0 375.803 1.881 20 0 GDADRO O=C1NCCN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)C12C[NH2+]C2 ZINC001164413760 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389.525 1.855 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCN1[C@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1 ZINC001164630165 719136689 /nfs/dbraw/zinc/13/66/89/719136689.db2.gz GETRTFQABHHJDC-PBHICJAKSA-N 1 0 380.807 1.876 20 0 GDADRO CC[C@@H]1C(=O)Nc2cnc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)nc2N1C1CCCC1 ZINC001164667767 719393687 /nfs/dbraw/zinc/39/36/87/719393687.db2.gz PINAHZPJOSALMM-ZACQAIPSSA-N 1 0 386.500 1.476 20 0 GDADRO COc1ccc(Cn2cc3[nH]c(N4C[C@H]5OCC[N@H+](C)[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164666467 719429805 /nfs/dbraw/zinc/42/98/05/719429805.db2.gz CTNSZFDVMXHENY-WOJBJXKFSA-N 1 0 394.475 1.765 20 0 GDADRO CC(C)N(C)Cc1nn(-c2nc(Cl)c(F)cc2C(N)=O)c2c1CC[NH2+]C2 ZINC001164686072 719611933 /nfs/dbraw/zinc/61/19/33/719611933.db2.gz XZOSOUXOQGFRQX-UHFFFAOYSA-N 1 0 380.855 1.645 20 0 GDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C(=O)OC)cc(Cl)n1)CC2 ZINC001164684413 719700652 /nfs/dbraw/zinc/70/06/52/719700652.db2.gz PIPRPUOWWVJEHK-UHFFFAOYSA-N 1 0 380.876 1.702 20 0 GDADRO 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720127402 /nfs/dbraw/zinc/12/74/02/720127402.db2.gz OVNOBXMYJUUQIT-GHTZIAJQSA-N 1 0 388.512 1.767 20 0 GDADRO Cc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ncc1Cl ZINC001164712400 720173417 /nfs/dbraw/zinc/17/34/17/720173417.db2.gz GHOYGZBIDMLOOM-MRXNPFEDSA-N 1 0 391.907 1.783 20 0 GDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc(C(=O)OC)c1OC)C2 ZINC001164811947 720203999 /nfs/dbraw/zinc/20/39/99/720203999.db2.gz KMALLPMBVCSLNS-QRWLVFNGSA-N 1 0 390.484 1.457 20 0 GDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1[C@@H](C)C(=O)N3)CCC2 ZINC001164812162 720227428 /nfs/dbraw/zinc/22/74/28/720227428.db2.gz FTYRTMXWTJOBOF-CYBMUJFWSA-N 1 0 397.483 1.339 20 0 GDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(NC3CC3)n2)CC1 ZINC001164817711 720286123 /nfs/dbraw/zinc/28/61/23/720286123.db2.gz FMIYMJDLTPOSIZ-ROUUACIJSA-N 1 0 384.528 1.962 20 0 GDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc3c(cn2)NC(=O)C3)CC1 ZINC001164821587 720300654 /nfs/dbraw/zinc/30/06/54/720300654.db2.gz 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C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(F)cc2C(N)=O)CC1 ZINC001164829833 720332656 /nfs/dbraw/zinc/33/26/56/720332656.db2.gz OCLJEGLYTJACCU-IRXDYDNUSA-N 1 0 389.475 1.231 20 0 GDADRO Cc1noc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164829734 720347538 /nfs/dbraw/zinc/34/75/38/720347538.db2.gz UDCOKJGOHVIBLC-JKSUJKDBSA-N 1 0 384.484 1.838 20 0 GDADRO CCc1cc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc(N2CCOCC2)n1 ZINC001164730822 720519767 /nfs/dbraw/zinc/51/97/67/720519767.db2.gz UCTWBKFZLRNXNH-INIZCTEOSA-N 1 0 385.516 1.270 20 0 GDADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(C(=O)NC3CCCC3)nn2)C1 ZINC001164732551 720528411 /nfs/dbraw/zinc/52/84/11/720528411.db2.gz DOMPVQTWNYPXQB-HNNXBMFYSA-N 1 0 383.500 1.544 20 0 GDADRO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164733640 720534821 /nfs/dbraw/zinc/53/48/21/720534821.db2.gz DGSOPIAQBPRPIJ-STQMWFEESA-N 1 0 392.891 1.801 20 0 GDADRO O=C1NCc2c1cc(Cl)nc2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164730407 720572063 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UXSNDOHSIBSWOO-QEORTHHSSA-N 1 0 379.823 1.994 20 0 GDADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(OC)c1 ZINC001164739834 720723930 /nfs/dbraw/zinc/72/39/30/720723930.db2.gz IYXDMYQASUBPFY-CVEARBPZSA-N 1 0 399.451 1.399 20 0 GDADRO CCCNC(=O)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744724 720760746 /nfs/dbraw/zinc/76/07/46/720760746.db2.gz SCHAPNWXXRRORX-JKSUJKDBSA-N 1 0 382.468 1.353 20 0 GDADRO c1nc2c(ncnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1C1CC1 ZINC001164742352 720769506 /nfs/dbraw/zinc/76/95/06/720769506.db2.gz OEUKPQDFKNCFBP-LSDHHAIUSA-N 1 0 378.440 1.293 20 0 GDADRO CC(C)OC(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749353 720800522 /nfs/dbraw/zinc/80/05/22/720800522.db2.gz UHCRZXUTNTXDKT-HOTGVXAUSA-N 1 0 383.452 1.779 20 0 GDADRO COC(=O)c1cccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749271 720811634 /nfs/dbraw/zinc/81/16/34/720811634.db2.gz SSJVFZBUUWBCTB-ZIFCJYIRSA-N 1 0 396.495 1.839 20 0 GDADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5c4CCC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741406 720814343 /nfs/dbraw/zinc/81/43/43/720814343.db2.gz BGGCITNJONHENB-MBOZVWFJSA-N 1 0 379.512 1.936 20 0 GDADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5cccnc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164737984 720815817 /nfs/dbraw/zinc/81/58/17/720815817.db2.gz CWTANAOSMRKSNA-ZHALLVOQSA-N 1 0 390.495 1.996 20 0 GDADRO Cn1cnc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21 ZINC001164746255 720817295 /nfs/dbraw/zinc/81/72/95/720817295.db2.gz YSIPSVJKXNGWAI-GVDBMIGSSA-N 1 0 393.499 1.334 20 0 GDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C)c3C(N)=O)CC[C@@H]2C1 ZINC001164850186 720835646 /nfs/dbraw/zinc/83/56/46/720835646.db2.gz DSXOKCFDAUWOPE-KGLIPLIRSA-N 1 0 382.892 1.316 20 0 GDADRO CNC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741342 720838923 /nfs/dbraw/zinc/83/89/23/720838923.db2.gz FHCWIMGAAFFNFK-CEXWTWQISA-N 1 0 395.511 1.412 20 0 GDADRO CCOC(=O)Cc1ccc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc1 ZINC001164858925 720855976 /nfs/dbraw/zinc/85/59/76/720855976.db2.gz SWEUIMYFGZETBC-MSOLQXFVSA-N 1 0 377.485 1.361 20 0 GDADRO Cc1cc(C(N)=O)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164745410 720857343 /nfs/dbraw/zinc/85/73/43/720857343.db2.gz DIEHLQWSCXDYEE-CEXWTWQISA-N 1 0 395.511 1.460 20 0 GDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc(C(=O)OC(C)(C)C)n3)CC[C@@H]2C1 ZINC001164852637 720861812 /nfs/dbraw/zinc/86/18/12/720861812.db2.gz FAUGNONYSRUKQZ-WBVHZDCISA-N 1 0 392.500 1.605 20 0 GDADRO CNC(=O)c1nc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)ccc1Cl ZINC001164855481 720863102 /nfs/dbraw/zinc/86/31/02/720863102.db2.gz MYCDWIYYKSQJGO-ZFWWWQNUSA-N 1 0 382.892 1.268 20 0 GDADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccnc(N4CCCCC4)n3)CC[C@@H]2C1 ZINC001164858583 720873457 /nfs/dbraw/zinc/87/34/57/720873457.db2.gz LGWGCTNWLSKQER-MSOLQXFVSA-N 1 0 375.517 1.640 20 0 GDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@@H](C)C4)ncn3)CC[C@@H]2C1 ZINC001164858648 720883201 /nfs/dbraw/zinc/88/32/01/720883201.db2.gz LOFKBIDUBPGEHS-GUDVDZBRSA-N 1 0 389.544 1.886 20 0 GDADRO COc1cnc(SC)nc1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164748793 720946790 /nfs/dbraw/zinc/94/67/90/720946790.db2.gz CTEUKMDIDGLFGI-UHFFFAOYSA-N 1 0 392.485 1.049 20 0 GDADRO COc1ccc2c(c1)ncnc2N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164751424 720954603 /nfs/dbraw/zinc/95/46/03/720954603.db2.gz PEPMXQUASKDKFK-UHFFFAOYSA-N 1 0 396.451 1.481 20 0 GDADRO C[NH+](C)CCNC(=O)c1noc2c1CN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164749533 720955102 /nfs/dbraw/zinc/95/51/02/720955102.db2.gz FLGFFOQEFZDLTR-QGZVFWFLSA-N 1 0 397.838 1.705 20 0 GDADRO C[NH+]1CCN(c2ccc(N3C[C@H](OCc4cccnc4)[C@H]4COC[C@@H]43)nn2)CC1 ZINC001164756509 721002948 /nfs/dbraw/zinc/00/29/48/721002948.db2.gz JQUBLUSUFCWOAJ-FHWLQOOXSA-N 1 0 396.495 1.044 20 0 GDADRO Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2ncccc2C[NH+]2CCCC2)cn1 ZINC001164761341 721039804 /nfs/dbraw/zinc/03/98/04/721039804.db2.gz FTRNTWWTWKMYLD-OALUTQOASA-N 1 0 380.496 1.904 20 0 GDADRO NC(=O)c1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncc1Cl ZINC001164868135 721052999 /nfs/dbraw/zinc/05/29/99/721052999.db2.gz MRJNACLXGWWRRR-GJZGRUSLSA-N 1 0 387.871 1.709 20 0 GDADRO COC(=O)c1cc(Cl)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164764960 721077254 /nfs/dbraw/zinc/07/72/54/721077254.db2.gz IDMRZYHCUODLSZ-ZIAGYGMSSA-N 1 0 390.875 1.608 20 0 GDADRO COC(=O)Cc1cccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866114 721081476 /nfs/dbraw/zinc/08/14/76/721081476.db2.gz RFKCWSFFGAQRMX-MOPGFXCFSA-N 1 0 382.464 1.672 20 0 GDADRO c1cncc(CO[C@@H]2C[C@H]3CN(c4ccnc(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164865924 721109659 /nfs/dbraw/zinc/10/96/59/721109659.db2.gz PWMHIKREACAZNF-RBUKOAKNSA-N 1 0 396.495 1.188 20 0 GDADRO CCOC(=O)c1cnc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(OC)c1 ZINC001164762166 721159694 /nfs/dbraw/zinc/15/96/94/721159694.db2.gz CJNZMSPFSOBANW-SJLPKXTDSA-N 1 0 399.495 1.959 20 0 GDADRO COc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2c1ccn2C ZINC001164881012 721183206 /nfs/dbraw/zinc/18/32/06/721183206.db2.gz YVHCTSBKBDNPIY-IAGOWNOFSA-N 1 0 394.479 1.852 20 0 GDADRO CSc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887136 721390454 /nfs/dbraw/zinc/39/04/54/721390454.db2.gz HAZUGSTXCLAIRA-QFBILLFUSA-N 1 0 377.558 1.964 20 0 GDADRO COc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1OC ZINC001164886334 721410264 /nfs/dbraw/zinc/41/02/64/721410264.db2.gz JCRFZNCCKYXULC-OXJNMPFZSA-N 1 0 391.516 1.259 20 0 GDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc5c4C(=O)NC5)C3)O2)CC1 ZINC001164883937 721412076 /nfs/dbraw/zinc/41/20/76/721412076.db2.gz CSXSBLVHLRWSMX-UWJYYQICSA-N 1 0 385.512 1.090 20 0 GDADRO COCOc1ccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164885761 721414898 /nfs/dbraw/zinc/41/48/98/721414898.db2.gz HELUMSWXJANOSC-TZIWHRDSSA-N 1 0 390.528 1.830 20 0 GDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5nnco5)ccn4)C3)O2)CC1 ZINC001164894229 721440360 /nfs/dbraw/zinc/44/03/60/721440360.db2.gz KWFZCHSJYSOGSM-RXVVDRJESA-N 1 0 398.511 1.897 20 0 GDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc5c(nn4)CCOC5)C3)O2)CC1 ZINC001164888766 721445443 /nfs/dbraw/zinc/44/54/43/721445443.db2.gz AUUDDMYFSGRBDE-RXVVDRJESA-N 1 0 387.528 1.315 20 0 GDADRO COCc1ccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164889529 721446223 /nfs/dbraw/zinc/44/62/23/721446223.db2.gz BGYVNMVABOZHLE-ICSRJNTNSA-N 1 0 375.517 1.388 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4c2CCC4)CC3)CC1 ZINC001164794053 721509511 /nfs/dbraw/zinc/50/95/11/721509511.db2.gz CWPQRJCKLBDMQV-UHFFFAOYSA-N 1 0 387.919 1.583 20 0 GDADRO COc1cc(Cl)ncc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794529 721511735 /nfs/dbraw/zinc/51/17/35/721511735.db2.gz RQHZEUXJCRISQP-UHFFFAOYSA-N 1 0 376.892 1.708 20 0 GDADRO COc1ccc2cnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc2c1 ZINC001164794787 721511998 /nfs/dbraw/zinc/51/19/98/721511998.db2.gz WEVRRVJOTCJERV-UHFFFAOYSA-N 1 0 393.495 1.603 20 0 GDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(C(N)=O)c(Cl)cn2)CC1 ZINC001165009097 721731234 /nfs/dbraw/zinc/73/12/34/721731234.db2.gz UDZPVQUZUIGVRA-UHFFFAOYSA-N 1 0 379.892 1.357 20 0 GDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(C(=O)NC3CC3)cn2)CC1 ZINC001165010111 721739202 /nfs/dbraw/zinc/73/92/02/721739202.db2.gz APUJZBRAWVMXSR-UHFFFAOYSA-N 1 0 385.512 1.497 20 0 GDADRO Cn1cc(C(=O)N[C@H]2CN(c3cc(C[NH+](C)C)ccn3)[C@H]3CCCO[C@H]23)cn1 ZINC001165013450 721758170 /nfs/dbraw/zinc/75/81/70/721758170.db2.gz LXVRNRMDSXMGRO-JENIJYKNSA-N 1 0 384.484 1.043 20 0 GDADRO Cc1cnc2n1CCN(C)C21CCN(c2ccc(N3CC[NH+](C)CC3)nn2)CC1 ZINC001164917223 721812493 /nfs/dbraw/zinc/81/24/93/721812493.db2.gz LSTPSQWIOBSQRG-UHFFFAOYSA-N 1 0 396.543 1.174 20 0 GDADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc2ccccc2nc1N1CCOCC1 ZINC001164924113 721862336 /nfs/dbraw/zinc/86/23/36/721862336.db2.gz CBOIJSJMERBQPK-UXHICEINSA-N 1 0 396.539 1.681 20 0 GDADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164924790 721873982 /nfs/dbraw/zinc/87/39/82/721873982.db2.gz LKOQDHVWBUQJFT-ZLKFPQNLSA-N 1 0 383.496 1.964 20 0 GDADRO O=S(=O)(c1cccnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2)N1CCCC1 ZINC001164966583 722074286 /nfs/dbraw/zinc/07/42/86/722074286.db2.gz CHOSQIHFDIPABM-CALCHBBNSA-N 1 0 392.525 1.166 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CNC(=O)CN3C(C)=O)nc1 ZINC001164969514 722079554 /nfs/dbraw/zinc/07/95/54/722079554.db2.gz LBMFMIBJEMTVFY-WIYYLYMNSA-N 1 0 385.512 1.556 20 0 GDADRO Cn1cc(N2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3C2=O)cn1 ZINC001164975401 722095298 /nfs/dbraw/zinc/09/52/98/722095298.db2.gz GBOWSAHNTBVPQC-FUHWJXTLSA-N 1 0 396.495 1.389 20 0 GDADRO COC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164984331 722105244 /nfs/dbraw/zinc/10/52/44/722105244.db2.gz SPAFRPVUAVJZHP-AEFFLSMTSA-N 1 0 383.452 1.386 20 0 GDADRO COC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164984333 722105273 /nfs/dbraw/zinc/10/52/73/722105273.db2.gz SPAFRPVUAVJZHP-FUHWJXTLSA-N 1 0 383.452 1.386 20 0 GDADRO CCn1cnc2c1ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978950 722142184 /nfs/dbraw/zinc/14/21/84/722142184.db2.gz LETUXLYRUPSNTF-MSOLQXFVSA-N 1 0 393.495 1.969 20 0 GDADRO NS(=O)(=O)c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164994343 722211185 /nfs/dbraw/zinc/21/11/85/722211185.db2.gz AWAXBNQGFXOGPK-GOSISDBHSA-N 1 0 391.472 1.508 20 0 GDADRO C[NH+](C)CCOCc1ncn2c1CN([C@@H](F)Oc1ccc(Cl)nn1)CCC2 ZINC001165004000 722258105 /nfs/dbraw/zinc/25/81/05/722258105.db2.gz KSXQLOSTSJKDON-QGZVFWFLSA-N 1 0 398.870 1.943 20 0 GDADRO C[NH+](C)CCOCc1ncn2c1CN([C@H](F)Oc1ccc(Cl)nn1)CCC2 ZINC001165003996 722258238 /nfs/dbraw/zinc/25/82/38/722258238.db2.gz KSXQLOSTSJKDON-KRWDZBQOSA-N 1 0 398.870 1.943 20 0 GDADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(C(N)=O)nc(C3CC3)n1)CCC2 ZINC001165003446 722258260 /nfs/dbraw/zinc/25/82/60/722258260.db2.gz DJRBONGXCPTLJX-UHFFFAOYSA-N 1 0 399.499 1.138 20 0 GDADRO CC(=O)N1CC[NH+]([C@@H]2CN(c3ccc(Cl)cc3-c3nn[nH]n3)C[C@H]2C)CC1 ZINC000819796811 945291719 /nfs/dbraw/zinc/29/17/19/945291719.db2.gz POGLBHFNTNYHIR-SJKOYZFVSA-N 1 0 389.891 1.509 20 0 GDADRO CC(=O)N1CC[NH+]([C@@H]2CN(c3cc(Cl)ccc3-c3nn[nH]n3)C[C@@H]2C)CC1 ZINC000819796844 945295064 /nfs/dbraw/zinc/29/50/64/945295064.db2.gz PVKGCHUBBIUEPB-YVEFUNNKSA-N 1 0 389.891 1.509 20 0 GDADRO CC(C)c1nn(C)c(N(C)C)c1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820206508 945384957 /nfs/dbraw/zinc/38/49/57/945384957.db2.gz NUUYAVXGMYCXKO-UHFFFAOYSA-N 1 0 384.488 1.958 20 0 GDADRO Cc1cc(N2C[C@@H]3CN(C(=O)[C@H]4CC[C@@H](F)C4)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571260044 945405942 /nfs/dbraw/zinc/40/59/42/945405942.db2.gz NQRLZUOSCFRXCT-BYNSBNAKSA-N 1 0 385.447 1.603 20 0 GDADRO O=C(NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)c1csc(=O)[nH]1 ZINC001571262377 945436858 /nfs/dbraw/zinc/43/68/58/945436858.db2.gz QQZWUFOLZIFTBQ-UHFFFAOYSA-N 1 0 385.453 1.423 20 0 GDADRO C[C@H](C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001571263339 945456268 /nfs/dbraw/zinc/45/62/68/945456268.db2.gz NFLJPZOSMSQCRW-XJKSGUPXSA-N 1 0 385.472 1.292 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CN(C(=O)C(C)(C)C2CC2)CCO1 ZINC001571263625 945462997 /nfs/dbraw/zinc/46/29/97/945462997.db2.gz VHWAPVBQMONKTI-LRDDRELGSA-N 1 0 385.472 1.148 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C)CCOCC2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571264298 945479671 /nfs/dbraw/zinc/47/96/71/945479671.db2.gz KLODUIYGRIEEMT-HIFRSBDPSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@H]1CN(C(=O)C2(C)CCOCC2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571264300 945480031 /nfs/dbraw/zinc/48/00/31/945480031.db2.gz KLODUIYGRIEEMT-ZFWWWQNUSA-N 1 0 385.472 1.149 20 0 GDADRO C[N@@H+]1C[C@H](NC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571264289 945480223 /nfs/dbraw/zinc/48/02/23/945480223.db2.gz KJTOESZQTAVZDP-HNNXBMFYSA-N 1 0 385.472 1.432 20 0 GDADRO Cc1cc(N(C)C[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264808 945492816 /nfs/dbraw/zinc/49/28/16/945492816.db2.gz XUWGHJQVJGKRKF-GJZGRUSLSA-N 1 0 385.472 1.281 20 0 GDADRO Cc1cc(N(C)C[C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264816 945493629 /nfs/dbraw/zinc/49/36/29/945493629.db2.gz XVMGXXTZOKGNSW-PBHICJAKSA-N 1 0 385.472 1.424 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)Cc2ccc[nH]2)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571265153 945502499 /nfs/dbraw/zinc/50/24/99/945502499.db2.gz DZDWGPVZVYRTFW-OCCSQVGLSA-N 1 0 385.497 1.968 20 0 GDADRO Cc1cc(NC[C@H]2CCCN2C(=O)C[C@@H]2CCCOC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571265717 945518327 /nfs/dbraw/zinc/51/83/27/945518327.db2.gz IXNCHMDXGXHFLJ-LSDHHAIUSA-N 1 0 385.472 1.212 20 0 GDADRO Cc1cc(NC2CC(N(C)C(=O)C[C@@H]3CCCOC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571265922 945525865 /nfs/dbraw/zinc/52/58/65/945525865.db2.gz KYPKAJPKKVLQBI-NFOMZHRRSA-N 1 0 385.472 1.210 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC2(C[NH+](CC3CCOCC3)C2)CC1 ZINC001571265995 945525931 /nfs/dbraw/zinc/52/59/31/945525931.db2.gz MMLXVUOOCGYNBK-UHFFFAOYSA-N 1 0 385.472 1.159 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC2(C1)CCC[N@H+](CC[C@@H]1CCOC1)C2 ZINC001571266234 945533280 /nfs/dbraw/zinc/53/32/80/945533280.db2.gz ODHYRXQJQXVHJF-CQSZACIVSA-N 1 0 385.472 1.159 20 0 GDADRO O=C(N[C@@H]1CC12CC[NH+](CC[C@H]1CCCO1)CC2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571266258 945536115 /nfs/dbraw/zinc/53/61/15/945536115.db2.gz OMROPLQQADDMLE-CZUORRHYSA-N 1 0 385.472 1.348 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC2(C1)CC[N@H+](CC[C@@H]1CCCCO1)C2 ZINC001571266438 945541145 /nfs/dbraw/zinc/54/11/45/945541145.db2.gz QQYITXZWFFGOEN-HNNXBMFYSA-N 1 0 385.472 1.302 20 0 GDADRO O=C(N[C@]12CCC[C@H]1[N@H+](C[C@H]1CCCOC1)CC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571266498 945545373 /nfs/dbraw/zinc/54/53/73/945545373.db2.gz SAORSJIHOWAURS-NRXGSXMXSA-N 1 0 385.472 1.348 20 0 GDADRO Cc1cc(N[C@@H]2CCCCCN(C(=O)[C@@H]3CCOC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266676 945549095 /nfs/dbraw/zinc/54/90/95/945549095.db2.gz WLMWDCLEKVDAQN-HUUCEWRRSA-N 1 0 385.472 1.212 20 0 GDADRO O=C(C1=CCOCC1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571268136 945587374 /nfs/dbraw/zinc/58/73/74/945587374.db2.gz ATWGKLSLXYHJFO-UHFFFAOYSA-N 1 0 386.431 1.433 20 0 GDADRO C[C@H](NC(=O)C1=COCCC1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571268195 945590525 /nfs/dbraw/zinc/59/05/25/945590525.db2.gz CGFZJDYJDNOGMF-LBPRGKRZSA-N 1 0 386.431 1.637 20 0 GDADRO CN(C(=O)C1=COCCC1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571268330 945593942 /nfs/dbraw/zinc/59/39/42/945593942.db2.gz DDAOICLZDKIAFB-UHFFFAOYSA-N 1 0 386.431 1.779 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1)c1cnon1 ZINC001571268441 945595126 /nfs/dbraw/zinc/59/51/26/945595126.db2.gz SDQIJLTWPRUACK-ZDUSSCGKSA-N 1 0 386.391 1.173 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(-c2nn[nH]n2)cc1OC ZINC000820995230 945608929 /nfs/dbraw/zinc/60/89/29/945608929.db2.gz OMIBWUWSVCMMDR-LSDHHAIUSA-N 1 0 386.456 1.339 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CN1C(=O)C1=CCOCC1 ZINC001571269025 945610150 /nfs/dbraw/zinc/61/01/50/945610150.db2.gz MPTILVBYRQOKCF-LRDDRELGSA-N 1 0 386.431 1.432 20 0 GDADRO Cc1ncsc1C[NH2+]C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571271406 945644568 /nfs/dbraw/zinc/64/45/68/945644568.db2.gz BPJYXEACTCTVSE-GFCCVEGCSA-N 1 0 386.485 1.602 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCn1cccn1 ZINC001571271662 945648144 /nfs/dbraw/zinc/64/81/44/945648144.db2.gz GUKUJYNTGKKWGT-TZMCWYRMSA-N 1 0 386.485 1.294 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000821181596 945648660 /nfs/dbraw/zinc/64/86/60/945648660.db2.gz NCXMHQXNNPZSBZ-SNVBAGLBSA-N 1 0 379.852 1.305 20 0 GDADRO Cc1cn(C)nc1C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271804 945649904 /nfs/dbraw/zinc/64/99/04/945649904.db2.gz JZNIAHTUKFDOOW-UHFFFAOYSA-N 1 0 386.485 1.268 20 0 GDADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000821189998 945651629 /nfs/dbraw/zinc/65/16/29/945651629.db2.gz XGDSTRIOYURRGC-UHFFFAOYSA-N 1 0 379.852 1.307 20 0 GDADRO O=C(Cc1c[nH]cn1)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571271919 945654354 /nfs/dbraw/zinc/65/43/54/945654354.db2.gz MPFDNPPDDHORSU-GFCCVEGCSA-N 1 0 386.485 1.365 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001571272093 945655363 /nfs/dbraw/zinc/65/53/63/945655363.db2.gz PDCUTXYRJWGKRM-INIZCTEOSA-N 1 0 386.500 1.698 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[N@@H+]1CCc1ccns1 ZINC001571272123 945656573 /nfs/dbraw/zinc/65/65/73/945656573.db2.gz PZGKOTUEXOWTGE-NWDGAFQWSA-N 1 0 386.485 1.477 20 0 GDADRO C[C@H]([NH2+]Cc1nccs1)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571272336 945660138 /nfs/dbraw/zinc/66/01/38/945660138.db2.gz SCPQSZHYNFWTKJ-RYUDHWBXSA-N 1 0 386.485 1.682 20 0 GDADRO CC(C)[C@H](C(=O)N1CCC[C@@H](N(C)c2ccncc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571272476 945663279 /nfs/dbraw/zinc/66/32/79/945663279.db2.gz UEMDMWUNDKFNGM-RHSMWYFYSA-N 1 0 386.504 1.275 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821586314 945725396 /nfs/dbraw/zinc/72/53/96/945725396.db2.gz SGRIVHXEZWQNRS-OAHLLOKOSA-N 1 0 391.451 1.258 20 0 GDADRO C[NH+](C)CCCCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000821584919 945725682 /nfs/dbraw/zinc/72/56/82/945725682.db2.gz YBIUUCZXFGTPMH-UHFFFAOYSA-N 1 0 387.488 1.498 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001571277346 945741226 /nfs/dbraw/zinc/74/12/26/945741226.db2.gz OYHKIANQDQOOEG-GFCCVEGCSA-N 1 0 387.394 1.867 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1)c1cc(F)c[nH]1 ZINC001571278299 945751433 /nfs/dbraw/zinc/75/14/33/945751433.db2.gz XIHONEQQZMALSZ-UHFFFAOYSA-N 1 0 387.394 1.867 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)CC1 ZINC000821623635 945751910 /nfs/dbraw/zinc/75/19/10/945751910.db2.gz PAQYYNLGEAPKKZ-UHFFFAOYSA-N 1 0 392.463 1.720 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCCO3)C2)cc1-c1nn[nH]n1 ZINC001571278954 945764532 /nfs/dbraw/zinc/76/45/32/945764532.db2.gz SMEGAJGIGIDBED-YOEHRIQHSA-N 1 0 386.456 1.135 20 0 GDADRO CC[C@H]1CN(C(=O)c2cocn2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571281672 945810225 /nfs/dbraw/zinc/81/02/25/945810225.db2.gz LFHHDSDPRQWGJD-WCQYABFASA-N 1 0 387.469 1.947 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNc2cccc(F)c2-c2nn[nH]n2)CC[N@@H+]1C ZINC001571281888 945819870 /nfs/dbraw/zinc/81/98/70/945819870.db2.gz POBIUMQRLZFCFJ-MGPQQGTHSA-N 1 0 387.463 1.749 20 0 GDADRO Cc1ocnc1C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571281971 945825223 /nfs/dbraw/zinc/82/52/23/945825223.db2.gz QHNAHRAFKQWHFY-UHFFFAOYSA-N 1 0 387.469 1.961 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@H]2C)o1 ZINC001571282046 945825934 /nfs/dbraw/zinc/82/59/34/945825934.db2.gz RJEZXSSFPDBKNH-YGRLFVJLSA-N 1 0 387.469 1.546 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000821700052 945832932 /nfs/dbraw/zinc/83/29/32/945832932.db2.gz BOFCJBBQDGBSAG-CABCVRRESA-N 1 0 386.456 1.197 20 0 GDADRO Cc1ncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)s1 ZINC001571282364 945841264 /nfs/dbraw/zinc/84/12/64/945841264.db2.gz ISVNAFXERPXAAS-JOCQHMNTSA-N 1 0 387.444 1.821 20 0 GDADRO CC(=O)N[C@@](C)(C(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573452232 945844466 /nfs/dbraw/zinc/84/44/66/945844466.db2.gz BZLQJEDZBDIACD-ORAYPTAESA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)N[C@@](C)(C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573452163 945844876 /nfs/dbraw/zinc/84/48/76/945844876.db2.gz BMNCOQDIOLVVFJ-ORAYPTAESA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)N[C@](C)(C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573452234 945844931 /nfs/dbraw/zinc/84/49/31/945844931.db2.gz BZLQJEDZBDIACD-YJYMSZOUSA-N 1 0 387.488 1.012 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571282969 945867970 /nfs/dbraw/zinc/86/79/70/945867970.db2.gz WUCBZNJGZWHJGC-ZENOOKHLSA-N 1 0 387.463 1.797 20 0 GDADRO C[C@H]1COCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287209 945968189 /nfs/dbraw/zinc/96/81/89/945968189.db2.gz ARTNLTBDYBDAMO-DDWPSWQVSA-N 1 0 388.447 1.415 20 0 GDADRO CO[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571287609 945975656 /nfs/dbraw/zinc/97/56/56/945975656.db2.gz GBZXTBZXJWYJMO-JLZZUVOBSA-N 1 0 388.447 1.606 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)CC1(O)CCC1 ZINC001571288028 945979907 /nfs/dbraw/zinc/97/99/07/945979907.db2.gz LLFXMHDLONFNTA-MLGOLLRUSA-N 1 0 388.447 1.390 20 0 GDADRO CC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001571288258 945986534 /nfs/dbraw/zinc/98/65/34/945986534.db2.gz NBNFSBORBBAPMU-MRXNPFEDSA-N 1 0 388.447 1.656 20 0 GDADRO C[C@H]1CO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571288321 945986874 /nfs/dbraw/zinc/98/68/74/945986874.db2.gz OCLIUDHIKTVLDT-LVRJZDEYSA-N 1 0 388.447 1.415 20 0 GDADRO O=C([C@@H]1CCCCO1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288681 945990138 /nfs/dbraw/zinc/99/01/38/945990138.db2.gz RFESNTRJUDZJHT-PBHICJAKSA-N 1 0 388.447 1.656 20 0 GDADRO C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001571289322 946002144 /nfs/dbraw/zinc/00/21/44/946002144.db2.gz ZPSKDCMDIIKAPX-GUYCJALGSA-N 1 0 388.447 1.465 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001571289503 946008710 /nfs/dbraw/zinc/00/87/10/946008710.db2.gz GCDLDIPXFPAVDY-ZNMIVQPWSA-N 1 0 388.497 1.673 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001571289500 946010119 /nfs/dbraw/zinc/01/01/19/946010119.db2.gz GCDLDIPXFPAVDY-ILXRZTDVSA-N 1 0 388.497 1.673 20 0 GDADRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1Nc1ncc(-c2nn[nH]n2)cc1F ZINC001571289895 946022967 /nfs/dbraw/zinc/02/29/67/946022967.db2.gz PGXPLOOHGDUBOE-BXUZGUMPSA-N 1 0 388.451 1.144 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571290207 946032146 /nfs/dbraw/zinc/03/21/46/946032146.db2.gz XOWYQSPYSORTES-OCCSQVGLSA-N 1 0 388.497 1.744 20 0 GDADRO Cc1sc(NC(=O)CN(C)C[C@H]2CCC[N@H+](C)C2)c(-c2nn[nH]n2)c1C ZINC000822558298 946126226 /nfs/dbraw/zinc/12/62/26/946126226.db2.gz NXHAJVBWLKOEJI-ZDUSSCGKSA-N 1 0 377.518 1.757 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2Cl)C1 ZINC001571294236 946130061 /nfs/dbraw/zinc/13/00/61/946130061.db2.gz BVOVVRANQOVSBW-ZDUSSCGKSA-N 1 0 389.822 1.992 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCc2cccnc21 ZINC001571294947 946151057 /nfs/dbraw/zinc/15/10/57/946151057.db2.gz MRVMSEATZXWSCB-ROUUACIJSA-N 1 0 389.463 1.682 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1(c2ccccn2)CC1 ZINC001571295406 946161206 /nfs/dbraw/zinc/16/12/06/946161206.db2.gz SBBXJSRPYVNBDU-QGZVFWFLSA-N 1 0 389.463 1.684 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccsc2-c2nn[nH]n2)CC1 ZINC001571295493 946164435 /nfs/dbraw/zinc/16/44/35/946164435.db2.gz VGAUYYSYLCYBTO-HNNXBMFYSA-N 1 0 389.529 1.697 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnc(C2CC2)nc1 ZINC001571297915 946200492 /nfs/dbraw/zinc/20/04/92/946200492.db2.gz DCMJJMPGOPZSRR-KRWDZBQOSA-N 1 0 390.451 1.538 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)CC(C)(C)O ZINC001571298261 946211605 /nfs/dbraw/zinc/21/16/05/946211605.db2.gz LXIXCMJHFHNPHI-IUODEOHRSA-N 1 0 390.463 1.636 20 0 GDADRO CC[C@@H](OC)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571298309 946213843 /nfs/dbraw/zinc/21/38/43/946213843.db2.gz NERDDNRSRXVPAO-SUMWQHHRSA-N 1 0 390.463 1.711 20 0 GDADRO O=C(NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCOC1 ZINC001571298561 946222466 /nfs/dbraw/zinc/22/24/66/946222466.db2.gz AWEVQTSYNHRUGD-ZIAGYGMSSA-N 1 0 390.513 1.826 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)NCC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573485415 946225914 /nfs/dbraw/zinc/22/59/14/946225914.db2.gz SNJMBDMFUDBQME-SUMWQHHRSA-N 1 0 387.488 1.012 20 0 GDADRO CC[C@H](OC)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2 ZINC001571298995 946235492 /nfs/dbraw/zinc/23/54/92/946235492.db2.gz GTCOKOKFUFCNCK-AWEZNQCLSA-N 1 0 390.513 1.778 20 0 GDADRO O=C(CN1CC[C@H](C[NH+]2CCCCC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822991395 946248324 /nfs/dbraw/zinc/24/83/24/946248324.db2.gz BJILCDJFYHABQN-QGZVFWFLSA-N 1 0 383.500 1.291 20 0 GDADRO O=C(c1ccncn1)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571299505 946254425 /nfs/dbraw/zinc/25/44/25/946254425.db2.gz WNPCIUDZFRTUPO-HXUWFJFHSA-N 1 0 390.451 1.395 20 0 GDADRO C[C@]12CN(C(=O)c3ccnnc3)C[C@H]1C[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571299764 946262700 /nfs/dbraw/zinc/26/27/00/946262700.db2.gz UFQNPCZYETUUIL-UZLBHIALSA-N 1 0 390.451 1.251 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCOC1 ZINC001571300204 946274367 /nfs/dbraw/zinc/27/43/67/946274367.db2.gz WVAZCXCGYVPFSL-ACJLOTCBSA-N 1 0 390.513 1.826 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)nn1 ZINC001571300142 946274959 /nfs/dbraw/zinc/27/49/59/946274959.db2.gz ZTSQMPCYKJCBHS-NXHRZFHOSA-N 1 0 390.451 1.500 20 0 GDADRO Cc1nsc(N2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1-c1nn[nH]n1 ZINC001571300199 946276054 /nfs/dbraw/zinc/27/60/54/946276054.db2.gz WPCMJTDPPQGHTI-CHWSQXEVSA-N 1 0 390.517 1.199 20 0 GDADRO C[C@H](NC(=O)c1cc2c([nH]1)CCC2)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571305742 946371478 /nfs/dbraw/zinc/37/14/78/946371478.db2.gz BMOXRLQAXFYSSB-ZDUSSCGKSA-N 1 0 391.479 1.934 20 0 GDADRO Cc1ccc(CC(=O)NC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC001571306284 946393048 /nfs/dbraw/zinc/39/30/48/946393048.db2.gz JIQRFZIITMNVEX-UHFFFAOYSA-N 1 0 391.479 1.893 20 0 GDADRO O=C(CCc1cccnc1)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571306339 946397930 /nfs/dbraw/zinc/39/79/30/946397930.db2.gz SUQDGRLVZREJLG-SFHVURJKSA-N 1 0 391.479 1.833 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CC2(F)F)cc1-c1nn[nH]n1 ZINC001571307528 946422950 /nfs/dbraw/zinc/42/29/50/946422950.db2.gz DESRVUKMOLOFCS-TZMCWYRMSA-N 1 0 392.410 1.611 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@]1(F)CCOC1 ZINC001571308917 946437724 /nfs/dbraw/zinc/43/77/24/946437724.db2.gz VXGHUYMGIHZFIN-LXIYXOSZSA-N 1 0 392.410 1.119 20 0 GDADRO O=C1[C@H](N2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823503759 946439842 /nfs/dbraw/zinc/43/98/42/946439842.db2.gz IOENORPCFLLZCI-GOSISDBHSA-N 1 0 390.451 1.189 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4-c4nn[nH]n4)C[C@@H]3C2)o1 ZINC001571310291 946467924 /nfs/dbraw/zinc/46/79/24/946467924.db2.gz ANEZONYLAOKOAB-CALCHBBNSA-N 1 0 392.463 1.901 20 0 GDADRO C[C@@H]1CN(C(=O)COc2ccccc2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571311443 946487687 /nfs/dbraw/zinc/48/76/87/946487687.db2.gz XPSBQPBDIJKNPQ-BEFAXECRSA-N 1 0 392.463 1.882 20 0 GDADRO CCn1nccc1C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571312743 946501195 /nfs/dbraw/zinc/50/11/95/946501195.db2.gz CFURXFGCHPEOCI-UHFFFAOYSA-N 1 0 392.467 1.431 20 0 GDADRO CCc1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)[nH]n1 ZINC001571313957 946537351 /nfs/dbraw/zinc/53/73/51/946537351.db2.gz XVJOFFXWOOJZFA-OSYLJGHBSA-N 1 0 392.467 1.260 20 0 GDADRO CCCn1nccc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571314070 946541679 /nfs/dbraw/zinc/54/16/79/946541679.db2.gz ZOWQVIHDMUVGAX-VQFNDLOPSA-N 1 0 392.467 1.333 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)ncn1 ZINC001571314748 946545353 /nfs/dbraw/zinc/54/53/53/946545353.db2.gz CAEIVNRRPMLXHD-DOTOQJQBSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1cc(C)nc(C(=O)N2CC[C@@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571315650 946558088 /nfs/dbraw/zinc/55/80/88/946558088.db2.gz NDMWBGUNVBGSDR-HNNXBMFYSA-N 1 0 392.467 1.872 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315852 946561198 /nfs/dbraw/zinc/56/11/98/946561198.db2.gz PTHUIILPEUIRMK-FZKQIMNGSA-N 1 0 392.467 1.279 20 0 GDADRO Cc1cc(N(C)[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316050 946563834 /nfs/dbraw/zinc/56/38/34/946563834.db2.gz SLCPRXQBNKXTKZ-MRXNPFEDSA-N 1 0 392.467 1.635 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571316172 946569245 /nfs/dbraw/zinc/56/92/45/946569245.db2.gz VKJDOYHUUGDSPA-PXNSSMCTSA-N 1 0 392.467 1.825 20 0 GDADRO Cc1cc(NC[C@@]2(C)CCN(C(=O)c3ncccc3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316331 946573340 /nfs/dbraw/zinc/57/33/40/946573340.db2.gz ZZFURTVHHOHCJR-HXUWFJFHSA-N 1 0 392.467 1.660 20 0 GDADRO O=C(CCc1cccnc1)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571316340 946573454 /nfs/dbraw/zinc/57/34/54/946573454.db2.gz ACKMFXIWFVSWMS-MRXNPFEDSA-N 1 0 392.467 1.362 20 0 GDADRO Cc1ncncc1C(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316528 946578984 /nfs/dbraw/zinc/57/89/84/946578984.db2.gz FQEAUHJBHHGMMC-SUMWQHHRSA-N 1 0 392.467 1.463 20 0 GDADRO Cc1ccnn1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571316690 946585242 /nfs/dbraw/zinc/58/52/42/946585242.db2.gz KALAYQWJTLPIAB-CALCHBBNSA-N 1 0 392.467 1.247 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1)c1ccn[nH]1 ZINC001571317093 946598519 /nfs/dbraw/zinc/59/85/19/946598519.db2.gz VEESNXKURLXJMJ-IXDOHACOSA-N 1 0 392.467 1.620 20 0 GDADRO O=C(Cc1cc[nH]n1)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571317185 946601372 /nfs/dbraw/zinc/60/13/72/946601372.db2.gz XRGLGXBGWKDFPU-FQEVSTJZSA-N 1 0 392.467 1.257 20 0 GDADRO O=C(c1ncc[nH]1)N1CCC2(C1)CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2 ZINC001571317577 946614077 /nfs/dbraw/zinc/61/40/77/946614077.db2.gz NGQCEAODXQCJAO-UHFFFAOYSA-N 1 0 392.467 1.718 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573528104 946658071 /nfs/dbraw/zinc/65/80/71/946658071.db2.gz USUKWEVJXRJMOO-CYBMUJFWSA-N 1 0 387.488 1.013 20 0 GDADRO C[C@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)Cn1ccnc1 ZINC000824429434 946704950 /nfs/dbraw/zinc/70/49/50/946704950.db2.gz WUCYRWLCZKNEGJ-MRXNPFEDSA-N 1 0 380.500 1.954 20 0 GDADRO C[C@@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)Cn1ccnc1 ZINC000824429433 946705801 /nfs/dbraw/zinc/70/58/01/946705801.db2.gz WUCYRWLCZKNEGJ-INIZCTEOSA-N 1 0 380.500 1.954 20 0 GDADRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824859279 946951662 /nfs/dbraw/zinc/95/16/62/946951662.db2.gz PJMBWYXMKJUZCB-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824978822 947019277 /nfs/dbraw/zinc/01/92/77/947019277.db2.gz YBSSHAOKYQDLIQ-YOEHRIQHSA-N 1 0 384.488 1.356 20 0 GDADRO C[C@H](CNc1cncc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586583 947290533 /nfs/dbraw/zinc/29/05/33/947290533.db2.gz REXXXMZNCJTFGO-KGLIPLIRSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC001573593369 947367321 /nfs/dbraw/zinc/36/73/21/947367321.db2.gz SBJVVGCWTBSONK-KSSFIOAISA-N 1 0 386.500 1.554 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCC1 ZINC001573598858 947448080 /nfs/dbraw/zinc/44/80/80/947448080.db2.gz SOGBBFBHOIYPFU-BLLLJJGKSA-N 1 0 390.463 1.351 20 0 GDADRO COC[C@H]([NH2+]CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C1CC1 ZINC000826150730 947480863 /nfs/dbraw/zinc/48/08/63/947480863.db2.gz KNWLBNXJHQNCDP-HNNXBMFYSA-N 1 0 382.428 1.006 20 0 GDADRO COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000826191345 947584590 /nfs/dbraw/zinc/58/45/90/947584590.db2.gz DDUBVLFDHGVIPD-UKRRQHHQSA-N 1 0 382.472 1.582 20 0 GDADRO C[C@@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573616350 947621124 /nfs/dbraw/zinc/62/11/24/947621124.db2.gz IBKCWRDRGYZOPS-JTQLQIEISA-N 1 0 383.378 1.533 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573618829 947654439 /nfs/dbraw/zinc/65/44/39/947654439.db2.gz SPGPITIMPRXASW-MFKMUULPSA-N 1 0 382.390 1.988 20 0 GDADRO C/C(=C/C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)C1CC1 ZINC001573361649 947693572 /nfs/dbraw/zinc/69/35/72/947693572.db2.gz DFTORSLSWXVKKJ-XGCIQTSOSA-N 1 0 381.484 1.997 20 0 GDADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573638013 947832225 /nfs/dbraw/zinc/83/22/25/947832225.db2.gz YPYBTZSKTBLMKS-CRAIPNDOSA-N 1 0 384.484 1.716 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573639994 947848601 /nfs/dbraw/zinc/84/86/01/947848601.db2.gz DOVITFAPFNOGEP-UKRRQHHQSA-N 1 0 383.431 1.759 20 0 GDADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573640432 947852833 /nfs/dbraw/zinc/85/28/33/947852833.db2.gz HKHUTBFWCSADFX-LRDDRELGSA-N 1 0 388.447 1.369 20 0 GDADRO CC(C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)=C1CCC1 ZINC001573641651 947857005 /nfs/dbraw/zinc/85/70/05/947857005.db2.gz MLNDKXQBVCTHAK-QGZVFWFLSA-N 1 0 382.468 1.684 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573382476 947883820 /nfs/dbraw/zinc/88/38/20/947883820.db2.gz HEDWVKNVUHOHKJ-ZDUSSCGKSA-N 1 0 376.486 1.626 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1)n1cccn1 ZINC001573647667 947902648 /nfs/dbraw/zinc/90/26/48/947902648.db2.gz RPGLDJACZCIHCP-BHYGNILZSA-N 1 0 392.467 1.215 20 0 GDADRO C[C@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccn1 ZINC001573654446 947965048 /nfs/dbraw/zinc/96/50/48/947965048.db2.gz QWJLEZJSYJCOAJ-DYVFJYSZSA-N 1 0 380.456 1.309 20 0 GDADRO Cc1onc(CC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c1-c1nn[nH]n1 ZINC000826344646 948012802 /nfs/dbraw/zinc/01/28/02/948012802.db2.gz NMPOOCCJEPVKQQ-CQSZACIVSA-N 1 0 395.467 1.829 20 0 GDADRO Cc1onc(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826347197 948051638 /nfs/dbraw/zinc/05/16/38/948051638.db2.gz IHLUPZQFEIWUCR-MRXNPFEDSA-N 1 0 395.467 1.734 20 0 GDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)n1cccn1 ZINC001573670285 948102212 /nfs/dbraw/zinc/10/22/12/948102212.db2.gz ANSCASCOHDPNTL-LBPRGKRZSA-N 1 0 386.485 1.467 20 0 GDADRO Cn1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360810 948125038 /nfs/dbraw/zinc/12/50/38/948125038.db2.gz YUPBMOSDLUYKNC-MRXNPFEDSA-N 1 0 395.467 1.852 20 0 GDADRO Cn1cc(CN2CC[C@H]([NH+]3CCCC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360808 948125214 /nfs/dbraw/zinc/12/52/14/948125214.db2.gz YUGISPANFHELFV-SFHVURJKSA-N 1 0 378.484 1.937 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCOCC1)C1CC1 ZINC001573691675 948245285 /nfs/dbraw/zinc/24/52/85/948245285.db2.gz HNOJMLDZEFVTRF-AWEZNQCLSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)C1CC1 ZINC001573694779 948298646 /nfs/dbraw/zinc/29/86/46/948298646.db2.gz DXDPNHVIILPPSL-ATEKPKPVSA-N 1 0 384.459 1.846 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccsc1 ZINC001573695605 948307222 /nfs/dbraw/zinc/30/72/22/948307222.db2.gz XXBRTYZSBGLUOZ-WBMJQRKESA-N 1 0 386.481 1.299 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001573704257 948367745 /nfs/dbraw/zinc/36/77/45/948367745.db2.gz RCFHCWJHHOYRDS-OLZOCXBDSA-N 1 0 386.485 1.467 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@H](n3ccnc3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476419 948381220 /nfs/dbraw/zinc/38/12/20/948381220.db2.gz HJSKMMVJTSJZOS-ROUUACIJSA-N 1 0 392.467 1.896 20 0 GDADRO O=C1[C@H]([NH+]2CCC([C@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477036 948385264 /nfs/dbraw/zinc/38/52/64/948385264.db2.gz UOZKVKSHSUSLKI-FUHWJXTLSA-N 1 0 382.468 1.721 20 0 GDADRO O=C1[C@@H](N2CCC[C@H]([NH+]3CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476835 948386116 /nfs/dbraw/zinc/38/61/16/948386116.db2.gz QBKNQXNHDWJCSI-OALUTQOASA-N 1 0 395.511 1.922 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573704912 948386909 /nfs/dbraw/zinc/38/69/09/948386909.db2.gz UTZRUSGEAGVUFW-WDEREUQCSA-N 1 0 383.378 1.793 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)n1cccn1 ZINC001573718043 948514597 /nfs/dbraw/zinc/51/45/97/948514597.db2.gz GYRCSDCLBSXFNM-AWEZNQCLSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H](C)c1cccnc1 ZINC001573731524 948591184 /nfs/dbraw/zinc/59/11/84/948591184.db2.gz FZJWPSAUFXZSPT-STQMWFEESA-N 1 0 383.431 1.799 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573732543 948605007 /nfs/dbraw/zinc/60/50/07/948605007.db2.gz QTAHZKVQFAJFKI-RYUDHWBXSA-N 1 0 386.435 1.137 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573746350 948679239 /nfs/dbraw/zinc/67/92/39/948679239.db2.gz IZHLGCMLYFANGD-FRFSOERESA-N 1 0 380.456 1.309 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573748833 948697754 /nfs/dbraw/zinc/69/77/54/948697754.db2.gz VHZZHDYXHIWDSY-WQVCFCJDSA-N 1 0 380.456 1.141 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)C(C)(F)F ZINC001573751993 948708266 /nfs/dbraw/zinc/70/82/66/948708266.db2.gz JRJHLNJNVJRMJP-BSLXNSKLSA-N 1 0 376.411 1.704 20 0 GDADRO CC(C)c1cccc(C(=O)N(C)C2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001574417036 948762990 /nfs/dbraw/zinc/76/29/90/948762990.db2.gz JUHUHXJKWNMJTO-UHFFFAOYSA-N 1 0 392.467 1.917 20 0 GDADRO CC(F)(F)CC(=O)NC1CC2(C1)CC(Nc1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001575223864 948772059 /nfs/dbraw/zinc/77/20/59/948772059.db2.gz GZKLQUXULMUYAE-UHFFFAOYSA-N 1 0 377.399 1.568 20 0 GDADRO CC(C)[C@H](F)C(=O)N[C@H](C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574080354 948789725 /nfs/dbraw/zinc/78/97/25/948789725.db2.gz PQZSPHSNJHKXTR-WBMJQRKESA-N 1 0 375.452 1.977 20 0 GDADRO CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001574080666 948802951 /nfs/dbraw/zinc/80/29/51/948802951.db2.gz ULCUVSGOKYGDHT-LQKXBSAESA-N 1 0 376.411 1.546 20 0 GDADRO C[C@@H](CNC(=O)CCc1cn[nH]c1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574917317 948813673 /nfs/dbraw/zinc/81/36/73/948813673.db2.gz WIFXOPWMIZQWFZ-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574684068 948853075 /nfs/dbraw/zinc/85/30/75/948853075.db2.gz AZVPPIMIBGVYFA-DMDPSCGWSA-N 1 0 392.895 1.562 20 0 GDADRO CC(C)c1cnc(C[NH2+]C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)o1 ZINC001574424787 948861295 /nfs/dbraw/zinc/86/12/95/948861295.db2.gz VOJIAZWKVPLYDR-GFCCVEGCSA-N 1 0 384.444 1.558 20 0 GDADRO CC(C)c1cnc(C[NH2+]C2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001574424916 948862436 /nfs/dbraw/zinc/86/24/36/948862436.db2.gz WMWXZBZXWYEBHJ-UHFFFAOYSA-N 1 0 384.444 1.701 20 0 GDADRO C[C@H](CNC(=O)CCc1cnn(C)c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920129 948886941 /nfs/dbraw/zinc/88/69/41/948886941.db2.gz DCWTWZWWFBKPJU-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncnc1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920652 948905942 /nfs/dbraw/zinc/90/59/42/948905942.db2.gz NRLFSIBIUGBHKJ-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCO1 ZINC001574088331 948916635 /nfs/dbraw/zinc/91/66/35/948916635.db2.gz AWTZSRRHZQKUKF-WVZRYYJFSA-N 1 0 385.472 1.194 20 0 GDADRO CC(C)[C@@H](C(=O)N[C@H](C)CCNc1ncccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574687731 948953462 /nfs/dbraw/zinc/95/34/62/948953462.db2.gz QYYYBVFSJBHVEC-ZBFHGGJFSA-N 1 0 386.504 1.689 20 0 GDADRO CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001574090257 948981108 /nfs/dbraw/zinc/98/11/08/948981108.db2.gz MKBJWUNXLLMKGC-FKEXNYPISA-N 1 0 381.484 1.839 20 0 GDADRO C[C@@H](F)CC[NH+]1CCC2(CC1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CCO2 ZINC001575242701 948987722 /nfs/dbraw/zinc/98/77/22/948987722.db2.gz KFLDGLNHVWEVTK-CYBMUJFWSA-N 1 0 391.451 1.250 20 0 GDADRO CC(C)c1nnsc1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574439164 949000184 /nfs/dbraw/zinc/00/01/84/949000184.db2.gz BDDPRDJLKTWIED-UHFFFAOYSA-N 1 0 385.457 1.033 20 0 GDADRO C[C@H](CNC(=O)COC(C)(C)C)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574927444 949042477 /nfs/dbraw/zinc/04/24/77/949042477.db2.gz IUBVZHVLDSNZNW-GFCCVEGCSA-N 1 0 378.452 1.757 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCCC1 ZINC001573775500 949045151 /nfs/dbraw/zinc/04/51/51/949045151.db2.gz XWJLEFNLGGCMFQ-AWEZNQCLSA-N 1 0 387.488 1.179 20 0 GDADRO CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001573779007 949054851 /nfs/dbraw/zinc/05/48/51/949054851.db2.gz CCVQUHGSCQMRNQ-CQSZACIVSA-N 1 0 384.488 1.079 20 0 GDADRO CC(C)c1nocc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574441480 949063594 /nfs/dbraw/zinc/06/35/94/949063594.db2.gz MFUOQQCOWWYLGH-JTQLQIEISA-N 1 0 375.458 1.948 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1ncccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574694145 949066854 /nfs/dbraw/zinc/06/68/54/949066854.db2.gz LYQGNUHFRLRHNV-ZBFHGGJFSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C(F)(F)F ZINC001575248270 949068507 /nfs/dbraw/zinc/06/85/07/949068507.db2.gz QGPFXRSNTUFGDO-MKPLZMMCSA-N 1 0 389.357 1.535 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001574694374 949074236 /nfs/dbraw/zinc/07/42/36/949074236.db2.gz OJGNJDSPPKWWOR-CJNGLKHVSA-N 1 0 387.492 1.036 20 0 GDADRO CC(C)c1nocc1C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574443132 949103085 /nfs/dbraw/zinc/10/30/85/949103085.db2.gz VDPKTGLWYGQJMC-GFCCVEGCSA-N 1 0 382.428 1.512 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574930063 949104046 /nfs/dbraw/zinc/10/40/46/949104046.db2.gz JCWQAORUFRVVOT-GFCCVEGCSA-N 1 0 376.436 1.559 20 0 GDADRO C[C@H](CNC(=O)COCC1CC1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574930634 949104465 /nfs/dbraw/zinc/10/44/65/949104465.db2.gz LCSGIEFPXSFGBR-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCC1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574931082 949113662 /nfs/dbraw/zinc/11/36/62/949113662.db2.gz NFWIKBXLFMIXMC-ZDUSSCGKSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001575250935 949123186 /nfs/dbraw/zinc/12/31/86/949123186.db2.gz JFLWKUYTLXMTDX-CHWSQXEVSA-N 1 0 387.492 1.226 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934459 949163507 /nfs/dbraw/zinc/16/35/07/949163507.db2.gz INCSIIDGAWDXNQ-LBPRGKRZSA-N 1 0 385.403 1.421 20 0 GDADRO CC(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574098729 949165165 /nfs/dbraw/zinc/16/51/65/949165165.db2.gz DRYGXNOCAWTKAC-AWEZNQCLSA-N 1 0 378.452 1.303 20 0 GDADRO CC(C)c1ocnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574448028 949179775 /nfs/dbraw/zinc/17/97/75/949179775.db2.gz BXMQMGILHDDJKZ-BJHJDKERSA-N 1 0 384.444 1.604 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574698762 949208977 /nfs/dbraw/zinc/20/89/77/949208977.db2.gz OLUHRXXVESWZGK-ZIAGYGMSSA-N 1 0 382.472 1.405 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574698938 949216396 /nfs/dbraw/zinc/21/63/96/949216396.db2.gz QERSJCDNHWINLZ-VXGBXAGGSA-N 1 0 378.502 1.680 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573791495 949221541 /nfs/dbraw/zinc/22/15/41/949221541.db2.gz ARTZNHWEAMVSIR-QGZVFWFLSA-N 1 0 378.502 1.417 20 0 GDADRO CC(C)(C)C(=O)N1CCC(O)(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573791761 949223274 /nfs/dbraw/zinc/22/32/74/949223274.db2.gz FBIZSUBLFKNRBD-UHFFFAOYSA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)c1scnc1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574451561 949240257 /nfs/dbraw/zinc/24/02/57/949240257.db2.gz SKVYBZKPOBNPKX-UHFFFAOYSA-N 1 0 384.469 1.638 20 0 GDADRO CC(C)(C)C(=O)C(=O)NCCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573792572 949255439 /nfs/dbraw/zinc/25/54/39/949255439.db2.gz AUKRIQFKMWDSCM-UHFFFAOYSA-N 1 0 385.472 1.600 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574701457 949259244 /nfs/dbraw/zinc/25/92/44/949259244.db2.gz ABZRRHOEDOXFEF-DJJJIMSYSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574107414 949281910 /nfs/dbraw/zinc/28/19/10/949281910.db2.gz JGMPUVPPIBDIHY-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)n1cc(C(=O)N(C)CC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001574453177 949282441 /nfs/dbraw/zinc/28/24/41/949282441.db2.gz YLYUCKLTZNMCBJ-UHFFFAOYSA-N 1 0 382.472 1.848 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001574455663 949310140 /nfs/dbraw/zinc/31/01/40/949310140.db2.gz VAWMGFWTNCANCX-QAQDUYKDSA-N 1 0 380.456 1.695 20 0 GDADRO CC(C)n1ccc(C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001574457585 949327325 /nfs/dbraw/zinc/32/73/25/949327325.db2.gz KKGJSMYORAQQAN-CYBMUJFWSA-N 1 0 381.444 1.178 20 0 GDADRO CC(C)(C)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573796593 949338654 /nfs/dbraw/zinc/33/86/54/949338654.db2.gz SYYWTFARCCRQEL-CQSZACIVSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](NC(=O)C1CC(F)(F)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575261044 949373417 /nfs/dbraw/zinc/37/34/17/949373417.db2.gz ZXBPYIGRKUPCPQ-SECBINFHSA-N 1 0 382.440 1.910 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574704237 949377694 /nfs/dbraw/zinc/37/76/94/949377694.db2.gz BGCPIDSLAIIVGZ-SWLSCSKDSA-N 1 0 375.452 1.749 20 0 GDADRO C[C@]1(C(=O)N2CC3(C2)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C3)CCOC1 ZINC001575527652 949379954 /nfs/dbraw/zinc/37/99/54/949379954.db2.gz FUFUEYZUTLHODI-IBGZPJMESA-N 1 0 382.468 1.328 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001575262794 949383302 /nfs/dbraw/zinc/38/33/02/949383302.db2.gz CEDCUZXVMUANRL-ZIAGYGMSSA-N 1 0 386.504 1.687 20 0 GDADRO CC(C)n1cnc(C(=O)NCC=CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001574465411 949434230 /nfs/dbraw/zinc/43/42/30/949434230.db2.gz XSSKEDGGWYCMPQ-ARJAWSKDSA-N 1 0 380.456 1.720 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@@H](C)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)c1 ZINC001574468039 949452764 /nfs/dbraw/zinc/45/27/64/949452764.db2.gz FXGRMXIVDRSPLA-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)n1ncc(C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)c1Cl ZINC001574468069 949457356 /nfs/dbraw/zinc/45/73/56/949457356.db2.gz HEEKXSKATCZESW-UHFFFAOYSA-N 1 0 389.851 1.346 20 0 GDADRO CC(C)n1nccc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574469211 949478017 /nfs/dbraw/zinc/47/80/17/949478017.db2.gz YUIIPBFXXXCAQD-GFCCVEGCSA-N 1 0 386.485 1.710 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1snc(Cl)c1-c1nn[nH]n1 ZINC001574955095 949560833 /nfs/dbraw/zinc/56/08/33/949560833.db2.gz BCOAKFZCZPDOCT-OPRDCNLKSA-N 1 0 398.924 1.258 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2=CCOCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575872878 949561739 /nfs/dbraw/zinc/56/17/39/949561739.db2.gz LUZBRKOGICTAMO-KBXCAEBGSA-N 1 0 382.468 1.683 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574956170 949571010 /nfs/dbraw/zinc/57/10/10/949571010.db2.gz GRSVMRQLHRHSHP-NQBHXWOUSA-N 1 0 392.895 1.196 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cccnn1 ZINC001573810667 949574697 /nfs/dbraw/zinc/57/46/97/949574697.db2.gz BSKHBAQTVYMMSX-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1csnn1 ZINC001573810765 949575240 /nfs/dbraw/zinc/57/52/40/949575240.db2.gz BZCCTAQKBHHGMP-CQSZACIVSA-N 1 0 386.485 1.653 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574956567 949581775 /nfs/dbraw/zinc/58/17/75/949581775.db2.gz KVDMQOSDBHPALV-YVLXSGLVSA-N 1 0 376.486 1.338 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@]1(F)CCOC1 ZINC001573810818 949583153 /nfs/dbraw/zinc/58/31/53/949583153.db2.gz DKVFZAJLDIGGGX-BEFAXECRSA-N 1 0 390.463 1.616 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001574712692 949584609 /nfs/dbraw/zinc/58/46/09/949584609.db2.gz SXJRMXBCGVZVNE-AWEZNQCLSA-N 1 0 386.504 1.641 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCCOC1 ZINC001573810960 949586308 /nfs/dbraw/zinc/58/63/08/949586308.db2.gz GAOUSNUMKVWUGB-IRXDYDNUSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H]1[C@@H](NC(=O)CN2CCCC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873687 949588127 /nfs/dbraw/zinc/58/81/27/949588127.db2.gz BOWFWIWNXKXQOM-YJBOKZPZSA-N 1 0 383.500 1.432 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ccnnc1 ZINC001573811989 949611903 /nfs/dbraw/zinc/61/19/03/949611903.db2.gz OYZFTAQKTZCNEA-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ccncn1 ZINC001573812174 949612884 /nfs/dbraw/zinc/61/28/84/949612884.db2.gz QLHYDIKBBZNOQU-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1ncc[nH]1 ZINC001573812051 949613225 /nfs/dbraw/zinc/61/32/25/949613225.db2.gz PTKDJHJHLWUXPW-ZDUSSCGKSA-N 1 0 388.501 1.515 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCCOC1 ZINC001575546888 949616127 /nfs/dbraw/zinc/61/61/27/949616127.db2.gz SSJZVEKTAAJAMY-FXAWDEMLSA-N 1 0 384.484 1.764 20 0 GDADRO 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CC1(C)CC(C(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575629741 950745270 /nfs/dbraw/zinc/74/52/70/950745270.db2.gz ROMYTOKUCRIWPR-CQSZACIVSA-N 1 0 376.436 1.009 20 0 GDADRO CC1(C)CC(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575630242 950759072 /nfs/dbraw/zinc/75/90/72/950759072.db2.gz ZGDCXIBTCYYXHT-CQSZACIVSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cc1ccccc1F ZINC001575927858 950759456 /nfs/dbraw/zinc/75/94/56/950759456.db2.gz VIMHPAWLESYIDI-LRDDRELGSA-N 1 0 381.415 1.467 20 0 GDADRO CC(C)c1ncncc1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574764778 950761671 /nfs/dbraw/zinc/76/16/71/950761671.db2.gz YDHJUKGLHUINHA-GFCCVEGCSA-N 1 0 381.444 1.170 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574520993 950762489 /nfs/dbraw/zinc/76/24/89/950762489.db2.gz CDFOGYSZBVILJF-KGLIPLIRSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575928033 950767740 /nfs/dbraw/zinc/76/77/40/950767740.db2.gz XUKPFEIASBLHBA-BLLLJJGKSA-N 1 0 391.435 1.334 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1nccs1 ZINC001575928101 950773889 /nfs/dbraw/zinc/77/38/89/950773889.db2.gz YPSSYRLNMNWIDD-AAEUAGOBSA-N 1 0 384.469 1.174 20 0 GDADRO CC(C)c1noc([C@H](C)[NH2+]C[C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001575009093 950776375 /nfs/dbraw/zinc/77/63/75/950776375.db2.gz NHKWJSJCJHBSRS-QWRGUYRKSA-N 1 0 387.448 1.418 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574765141 950776739 /nfs/dbraw/zinc/77/67/39/950776739.db2.gz FZQWLVCWTVTYOU-QMMMGPOBSA-N 1 0 378.849 1.366 20 0 GDADRO C[C@H](CN(C)C(=O)c1conc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574765237 950777455 /nfs/dbraw/zinc/77/74/55/950777455.db2.gz GUFPAYKLIJMJPS-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1(F)CCOCC1 ZINC001574521376 950779600 /nfs/dbraw/zinc/77/96/00/950779600.db2.gz FSBZEUGXEFJJBW-ZIAGYGMSSA-N 1 0 390.463 1.758 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1ncc[nH]1 ZINC001574521761 950783218 /nfs/dbraw/zinc/78/32/18/950783218.db2.gz HMBNKLHDXVIHFH-NWDGAFQWSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCn1cccn1 ZINC001574522835 950803759 /nfs/dbraw/zinc/80/37/59/950803759.db2.gz LHUMQAHXYLVNKM-GJZGRUSLSA-N 1 0 382.472 1.526 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cncs1 ZINC001574522846 950803897 /nfs/dbraw/zinc/80/38/97/950803897.db2.gz LINHWAUOMNXTIL-STQMWFEESA-N 1 0 385.497 1.939 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=COCCO1 ZINC001574523187 950807629 /nfs/dbraw/zinc/80/76/29/950807629.db2.gz MQJSRHPWYWXYCX-GHMZBOCLSA-N 1 0 378.458 1.189 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CC1(O)CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574523438 950813658 /nfs/dbraw/zinc/81/36/58/950813658.db2.gz NRNIRPYGUOGUKY-NEPJUHHUSA-N 1 0 378.502 1.606 20 0 GDADRO C[C@H]1CN(C(=O)C(F)F)CC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576220623 950836760 /nfs/dbraw/zinc/83/67/60/950836760.db2.gz RWCZUWSMNDJIGD-WDEREUQCSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H]1CN(C(=O)C(F)F)CC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576220621 950838378 /nfs/dbraw/zinc/83/83/78/950838378.db2.gz RWCZUWSMNDJIGD-QWRGUYRKSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCn1ccnc1 ZINC001574524369 950857728 /nfs/dbraw/zinc/85/77/28/950857728.db2.gz VZDLUJLRNVTDDY-CHWSQXEVSA-N 1 0 388.501 1.588 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cncn1C ZINC001574524482 950861197 /nfs/dbraw/zinc/86/11/97/950861197.db2.gz XABQLUAZMCQNRQ-UONOGXRCSA-N 1 0 382.472 1.216 20 0 GDADRO CC(C)CCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574189246 950868821 /nfs/dbraw/zinc/86/88/21/950868821.db2.gz GMSHKHRBSRFERY-FQEVSTJZSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCn1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574524724 950872623 /nfs/dbraw/zinc/87/26/23/950872623.db2.gz YVJYMHYAQKPETG-CABCVRRESA-N 1 0 382.472 1.526 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cncs1 ZINC001574524844 950878400 /nfs/dbraw/zinc/87/84/00/950878400.db2.gz ZSXUNLDSUHTUEA-CHWSQXEVSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@@H](C[N@H+](C)C[C@H](O)C1CCCCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574768308 950883206 /nfs/dbraw/zinc/88/32/06/950883206.db2.gz UEBAQPDXCFUWRY-LRDDRELGSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@H](O)c1ccccc1F ZINC001575012186 950885428 /nfs/dbraw/zinc/88/54/28/950885428.db2.gz XPBNBHGFFALEKN-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574527531 950892026 /nfs/dbraw/zinc/89/20/26/950892026.db2.gz CYQXYFTUVIKBAM-VXGBXAGGSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1csnn1 ZINC001574527889 950913349 /nfs/dbraw/zinc/91/33/49/950913349.db2.gz IIOZZSWMUCYAKV-UWVGGRQHSA-N 1 0 390.448 1.544 20 0 GDADRO CC1(C)C[C@H](NC(=O)[C@H]2CCOC2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575641354 950913775 /nfs/dbraw/zinc/91/37/75/950913775.db2.gz OHRYOSPISKFFGF-UONOGXRCSA-N 1 0 385.472 1.409 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cccc(=O)[nH]1 ZINC001574528401 950932439 /nfs/dbraw/zinc/93/24/39/950932439.db2.gz MLSOHGQCXOZAIX-CHWSQXEVSA-N 1 0 381.440 1.654 20 0 GDADRO CC(C)(C)n1ccc(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001573894535 950934874 /nfs/dbraw/zinc/93/48/74/950934874.db2.gz VHRRQMGUVIHJNE-UHFFFAOYSA-N 1 0 381.444 1.010 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cccnn1 ZINC001574528665 950937742 /nfs/dbraw/zinc/93/77/42/950937742.db2.gz NYBNBBLJAOAWPI-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CO1 ZINC001575936989 950938340 /nfs/dbraw/zinc/93/83/40/950938340.db2.gz BVSXNWCIGVNJOW-OLZOCXBDSA-N 1 0 378.502 1.634 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnns1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574528885 950943198 /nfs/dbraw/zinc/94/31/98/950943198.db2.gz ONRINXLLWGJJBK-ZJUUUORDSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H]1[C@H](Nc2snc(Cl)c2-c2nn[nH]n2)CCN1C(=O)CC[NH+](C)C ZINC001575937566 950951919 /nfs/dbraw/zinc/95/19/19/950951919.db2.gz KQBMZCVSUVFXHT-DTWKUNHWSA-N 1 0 384.897 1.330 20 0 GDADRO CC(C)(CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001573898355 950977640 /nfs/dbraw/zinc/97/76/40/950977640.db2.gz ZYGUDKAVZWVTSI-AWEZNQCLSA-N 1 0 390.463 1.399 20 0 GDADRO CC(C)CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nn[nH]n3)[nH]1)O2 ZINC001574195366 950985041 /nfs/dbraw/zinc/98/50/41/950985041.db2.gz MIACGKLYGYYDRJ-CQSZACIVSA-N 1 0 387.488 1.594 20 0 GDADRO CC(C)(CC(F)(F)F)C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573899831 950988064 /nfs/dbraw/zinc/98/80/64/950988064.db2.gz KTBUKYANNIIPBH-JTQLQIEISA-N 1 0 383.378 1.675 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@@H]1CCCCO1 ZINC001574774445 950999552 /nfs/dbraw/zinc/99/95/52/950999552.db2.gz CNLMVFCDILGWAT-ZFWWWQNUSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576230414 951009318 /nfs/dbraw/zinc/00/93/18/951009318.db2.gz RARREAIVVZTLTO-WBMJQRKESA-N 1 0 387.463 1.606 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCOc1ccc(Cl)cc1 ZINC001575017852 951011381 /nfs/dbraw/zinc/01/13/81/951011381.db2.gz OCPXEVALRXZITM-NSHDSACASA-N 1 0 389.847 1.635 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccc(F)cc1F ZINC001575019165 951034120 /nfs/dbraw/zinc/03/41/20/951034120.db2.gz SLKXHGLIWZFDAQ-VHSXEESVSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001575019166 951034367 /nfs/dbraw/zinc/03/43/67/951034367.db2.gz SLKXHGLIWZFDAQ-ZJUUUORDSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2[nH]ccc2n1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024610 951110541 /nfs/dbraw/zinc/11/05/41/951110541.db2.gz JDBZLDISPDTVAQ-ZDUSSCGKSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1OCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575029069 951181936 /nfs/dbraw/zinc/18/19/36/951181936.db2.gz RUBZTSVGMCUPOX-CYBMUJFWSA-N 1 0 378.436 1.710 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575035448 951272971 /nfs/dbraw/zinc/27/29/71/951272971.db2.gz IMYCTSPWUVRHGI-GFCCVEGCSA-N 1 0 378.440 1.789 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1Cl)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575041773 951349744 /nfs/dbraw/zinc/34/97/44/951349744.db2.gz BWTMTKKLNKCFKX-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1cncnc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575047198 951454653 /nfs/dbraw/zinc/45/46/53/951454653.db2.gz ZEAVCBZYIVOURY-LBPRGKRZSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1C(F)F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575052552 951468973 /nfs/dbraw/zinc/46/89/73/951468973.db2.gz LLPOQDXSWACDLM-SNVBAGLBSA-N 1 0 390.398 1.446 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2c1CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575054294 951492091 /nfs/dbraw/zinc/49/20/91/951492091.db2.gz HZBGFRWDZNPMRL-NSHDSACASA-N 1 0 386.485 1.321 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575054613 951493686 /nfs/dbraw/zinc/49/36/86/951493686.db2.gz JCOLUFQZKRGTOH-SNVBAGLBSA-N 1 0 378.437 1.002 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C2CC2)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575056168 951516488 /nfs/dbraw/zinc/51/64/88/951516488.db2.gz GFCKPAGXGQNFRN-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1conc1C1CC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575058309 951535235 /nfs/dbraw/zinc/53/52/35/951535235.db2.gz VFPNIVGLBCDHQF-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1nc(Cl)cs1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575060719 951544904 /nfs/dbraw/zinc/54/49/04/951544904.db2.gz DXFFPURYBDMVQM-VIFPVBQESA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1csc(Cl)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575060853 951550765 /nfs/dbraw/zinc/55/07/65/951550765.db2.gz IFZKWWMNTBLVJQ-VIFPVBQESA-N 1 0 377.861 1.885 20 0 GDADRO C[C@H](CNC(=O)c1nc(Cl)cs1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575061664 951559977 /nfs/dbraw/zinc/55/99/77/951559977.db2.gz PLYVRLLOWMUWGZ-SECBINFHSA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1ncc(F)cc1F)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575061971 951563486 /nfs/dbraw/zinc/56/34/86/951563486.db2.gz SFJCZVRXGKMRGV-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575062439 951567843 /nfs/dbraw/zinc/56/78/43/951567843.db2.gz WBGIAFUJLPRVHI-SNVBAGLBSA-N 1 0 384.419 1.126 20 0 GDADRO C[C@@H](CNC(=O)c1scnc1Cl)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575069354 951642093 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DSKFTVMNFVHODB-SNVBAGLBSA-N 1 0 389.847 1.804 20 0 GDADRO C[C@H](CNC(=O)CCn1ccnc1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080129 951703854 /nfs/dbraw/zinc/70/38/54/951703854.db2.gz VPXACUBHJSYZBC-ZDUSSCGKSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@@H](CNC(=O)C1(C(F)F)CC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080572 951712566 /nfs/dbraw/zinc/71/25/66/951712566.db2.gz YGSLILAIEUVKRK-SNVBAGLBSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cccc(=O)[nH]1 ZINC001575080784 951716420 /nfs/dbraw/zinc/71/64/20/951716420.db2.gz ZMRNIUDMORWXGI-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081982 951729039 /nfs/dbraw/zinc/72/90/39/951729039.db2.gz WWIAOHVXSCUPSZ-UONOGXRCSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081984 951729743 /nfs/dbraw/zinc/72/97/43/951729743.db2.gz WWIAOHVXSCUPSZ-ZIAGYGMSSA-N 1 0 390.463 1.664 20 0 GDADRO 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ZINC001575092498 951792066 /nfs/dbraw/zinc/79/20/66/951792066.db2.gz CFNRXFMZYJWVHI-XWIAVFTESA-N 1 0 384.484 1.618 20 0 GDADRO C[C@@H](CNC(=O)c1cnoc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095070 951808914 /nfs/dbraw/zinc/80/89/14/951808914.db2.gz QTJXWQVZMSQSIC-GFCCVEGCSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1conc1C1CC1 ZINC001575095424 951811023 /nfs/dbraw/zinc/81/10/23/951811023.db2.gz SWHJPDGKTTWTHM-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)COc1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098728 951825525 /nfs/dbraw/zinc/82/55/25/951825525.db2.gz FQYCWURAQKXRDM-LBPRGKRZSA-N 1 0 387.469 1.244 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099447 951834826 /nfs/dbraw/zinc/83/48/26/951834826.db2.gz MHKQFKLMFKNWLS-SNVBAGLBSA-N 1 0 386.485 1.684 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575101126 951853401 /nfs/dbraw/zinc/85/34/01/951853401.db2.gz ZVHQCIJUUSHLKQ-NSHDSACASA-N 1 0 391.526 1.859 20 0 GDADRO C[C@H](CNC(=O)CCn1ccnc1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101212 951856233 /nfs/dbraw/zinc/85/62/33/951856233.db2.gz AYTGCYQTLBKYND-ZDUSSCGKSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575102744 951872358 /nfs/dbraw/zinc/87/23/58/951872358.db2.gz PTTNSWNTWYNKHA-XIKOKIGWSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCOCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103446 951875585 /nfs/dbraw/zinc/87/55/85/951875585.db2.gz UIMIWLUEBFJZCN-ZFWWWQNUSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CCn1cccc1 ZINC001575104023 951880281 /nfs/dbraw/zinc/88/02/81/951880281.db2.gz AXLFFVVAAQPLNT-AWEZNQCLSA-N 1 0 385.447 1.834 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575104330 951883231 /nfs/dbraw/zinc/88/32/31/951883231.db2.gz ZPUBZIRIOYLFIK-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO 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ZINC001571128291 952566332 /nfs/dbraw/zinc/56/63/32/952566332.db2.gz QVLVNMOHUPMNTM-SECBINFHSA-N 1 0 377.861 1.914 20 0 GDADRO O=C(Cc1cccnc1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571128929 952572481 /nfs/dbraw/zinc/57/24/81/952572481.db2.gz YTOJQGASXXUPCB-KRWDZBQOSA-N 1 0 377.452 1.585 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(C(=O)c2ccncn2)C1 ZINC001571134225 952586896 /nfs/dbraw/zinc/58/68/96/952586896.db2.gz CHJJNGQVJGCUBD-INIZCTEOSA-N 1 0 378.440 1.393 20 0 GDADRO Cc1cc(N[C@H]2C[C@H](CNC(=O)c3cnccc3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134457 952591131 /nfs/dbraw/zinc/59/11/31/952591131.db2.gz IITGSVYDYGFLTM-HDJSIYSDSA-N 1 0 378.440 1.316 20 0 GDADRO Cc1[nH]ccc1C(=O)NC[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571134638 952593155 /nfs/dbraw/zinc/59/31/55/952593155.db2.gz IWKDPHTXQZCQPV-MKZZRHPPSA-N 1 0 378.440 1.319 20 0 GDADRO Cc1cnc(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C)cn1 ZINC001571134696 952593970 /nfs/dbraw/zinc/59/39/70/952593970.db2.gz LZRKZNXEPMIMSC-BBRMVZONSA-N 1 0 378.440 1.358 20 0 GDADRO C[C@H](C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001571134868 952596628 /nfs/dbraw/zinc/59/66/28/952596628.db2.gz MADLJBJWHNCMQP-ZFWWWQNUSA-N 1 0 378.440 1.285 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)[C@@H]2C)cn1 ZINC001571134821 952596642 /nfs/dbraw/zinc/59/66/42/952596642.db2.gz NLVVWEKKSUYSCM-CJNGLKHVSA-N 1 0 378.440 1.671 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cncnc2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135569 952605712 /nfs/dbraw/zinc/60/57/12/952605712.db2.gz XFMILKGEMUIUNJ-CXAGYDPISA-N 1 0 378.440 1.440 20 0 GDADRO C[C@H]1CN(C(=O)c2cnccn2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135560 952605906 /nfs/dbraw/zinc/60/59/06/952605906.db2.gz WTYCWPJSYNCKPG-BBRMVZONSA-N 1 0 378.440 1.297 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ccc(=O)[nH]c1 ZINC001571140287 952624262 /nfs/dbraw/zinc/62/42/62/952624262.db2.gz BFUHMDFKGLPKDI-UHFFFAOYSA-N 1 0 379.424 1.266 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571141041 952630863 /nfs/dbraw/zinc/63/08/63/952630863.db2.gz FZNFZUFAYYIELO-HXOUQKOFSA-N 1 0 378.480 1.849 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)c1ncccn1 ZINC001571141504 952633511 /nfs/dbraw/zinc/63/35/11/952633511.db2.gz HOZUAUUMFBGHNN-UHFFFAOYSA-N 1 0 378.440 1.488 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001571141759 952635937 /nfs/dbraw/zinc/63/59/37/952635937.db2.gz MFMGECLLSORWPD-BLLLJJGKSA-N 1 0 379.424 1.360 20 0 GDADRO O=C(C[C@@H]1CC[C@H]2C[C@H]21)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571141960 952637776 /nfs/dbraw/zinc/63/77/76/952637776.db2.gz LWEYHBKBBFXKIK-GOVAOOSJSA-N 1 0 378.480 1.849 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C12CCC2)c1ccon1 ZINC001571142206 952640364 /nfs/dbraw/zinc/64/03/64/952640364.db2.gz RIICAYDZOPVVHY-HOTGVXAUSA-N 1 0 379.424 1.686 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cnccn1 ZINC001571142339 952640836 /nfs/dbraw/zinc/64/08/36/952640836.db2.gz PQZSVLWVUOKOQH-DZGCQCFKSA-N 1 0 378.440 1.345 20 0 GDADRO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571142451 952642336 /nfs/dbraw/zinc/64/23/36/952642336.db2.gz WSARQBOAYGPQRD-INIZCTEOSA-N 1 0 379.424 1.275 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001571142693 952645436 /nfs/dbraw/zinc/64/54/36/952645436.db2.gz VQQSQRQXPXXOJI-GFCCVEGCSA-N 1 0 378.502 1.512 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571142741 952645905 /nfs/dbraw/zinc/64/59/05/952645905.db2.gz XDXAVRLOOHBFPE-QKPAOTATSA-N 1 0 378.440 1.130 20 0 GDADRO O=C(c1ncoc1C1CC1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571147844 952664633 /nfs/dbraw/zinc/66/46/33/952664633.db2.gz QZTAZSGKUOSTEF-HNNXBMFYSA-N 1 0 379.424 1.736 20 0 GDADRO CCn1cccc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571151573 952675358 /nfs/dbraw/zinc/67/53/58/952675358.db2.gz QXQSZMWWCCUFSS-AWEZNQCLSA-N 1 0 379.468 1.938 20 0 GDADRO Cc1cc(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)ncn1 ZINC001571157098 952705527 /nfs/dbraw/zinc/70/55/27/952705527.db2.gz MJQSCDIOBCFNGH-CYBMUJFWSA-N 1 0 379.428 1.019 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)c3ncccc3O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571157895 952707949 /nfs/dbraw/zinc/70/79/49/952707949.db2.gz BVVSRBWTWYWNPV-GFCCVEGCSA-N 1 0 380.412 1.070 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)c3coc(C4CC4)n3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571159275 952718416 /nfs/dbraw/zinc/71/84/16/952718416.db2.gz SPNIVBWBVAGFOC-LBPRGKRZSA-N 1 0 380.412 1.444 20 0 GDADRO C[C@@H]([NH2+]Cc1cccnc1)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571165937 952755614 /nfs/dbraw/zinc/75/56/14/952755614.db2.gz JDKUDUOTRRUNKI-UKRRQHHQSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2ccco2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571166246 952759437 /nfs/dbraw/zinc/75/94/37/952759437.db2.gz KLTGYCDPSOASRQ-ZBFHGGJFSA-N 1 0 380.452 1.887 20 0 GDADRO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1c[nH]cn1 ZINC001571166272 952759694 /nfs/dbraw/zinc/75/96/94/952759694.db2.gz LEBIOHIJXJVWKN-HNNXBMFYSA-N 1 0 380.456 1.258 20 0 GDADRO CCc1c(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cnn1C ZINC001571166567 952763172 /nfs/dbraw/zinc/76/31/72/952763172.db2.gz NEICICDZPSXWRS-AWEZNQCLSA-N 1 0 380.456 1.167 20 0 GDADRO C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C[NH2+]Cc1cccnc1 ZINC001571166926 952768174 /nfs/dbraw/zinc/76/81/74/952768174.db2.gz RTIDWJXLJUAHRK-UKRRQHHQSA-N 1 0 380.456 1.478 20 0 GDADRO CC1(C)C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001571167112 952769909 /nfs/dbraw/zinc/76/99/09/952769909.db2.gz VWIKKRJEXAVBJJ-MRXNPFEDSA-N 1 0 380.456 1.159 20 0 GDADRO CCc1n[nH]cc1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571167195 952770992 /nfs/dbraw/zinc/77/09/92/952770992.db2.gz XXIRUAFXEDPGEI-OAHLLOKOSA-N 1 0 380.456 1.547 20 0 GDADRO Cn1cc(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001571169345 952772277 /nfs/dbraw/zinc/77/22/77/952772277.db2.gz AEUCHFDZDXGGJT-QGZVFWFLSA-N 1 0 380.456 1.337 20 0 GDADRO C[C@H](NC(=O)c1ncc[nH]1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571169348 952772330 /nfs/dbraw/zinc/77/23/30/952772330.db2.gz AKOPJKKGUFBJQG-ZDUSSCGKSA-N 1 0 380.456 1.620 20 0 GDADRO CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c(C)n1 ZINC001571169393 952772941 /nfs/dbraw/zinc/77/29/41/952772941.db2.gz BGVWGVZZODCRLU-INIZCTEOSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169562 952776300 /nfs/dbraw/zinc/77/63/00/952776300.db2.gz GUZPOLKYVNLXBF-HZPDHXFCSA-N 1 0 380.456 1.729 20 0 GDADRO CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)cn1 ZINC001571169646 952777473 /nfs/dbraw/zinc/77/74/73/952777473.db2.gz JJBYGAPYJFBUHE-CXAGYDPISA-N 1 0 380.456 1.333 20 0 GDADRO Cc1c[nH]c(C(=O)NC2(C)CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC001571169682 952777618 /nfs/dbraw/zinc/77/76/18/952777618.db2.gz KKQPGVJWVJDDLX-UHFFFAOYSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C ZINC001571169807 952779684 /nfs/dbraw/zinc/77/96/84/952779684.db2.gz NZRNTRVUUBBCHR-ZFWWWQNUSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571169908 952780932 /nfs/dbraw/zinc/78/09/32/952780932.db2.gz QGTFAAUEEBZFNR-CVEARBPZSA-N 1 0 380.456 1.587 20 0 GDADRO Cc1ncc(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C)n1C ZINC001571170118 952782861 /nfs/dbraw/zinc/78/28/61/952782861.db2.gz SVWORGSWOYPOII-WFASDCNBSA-N 1 0 380.456 1.301 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2)n1C ZINC001571170472 952786335 /nfs/dbraw/zinc/78/63/35/952786335.db2.gz VFZIUTRTRYDXCT-MRXNPFEDSA-N 1 0 380.456 1.255 20 0 GDADRO CCn1nccc1C(=O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571170871 952789795 /nfs/dbraw/zinc/78/97/95/952789795.db2.gz YGSIBERBNUXQET-UHFFFAOYSA-N 1 0 380.456 1.431 20 0 GDADRO Cc1ccc(C(=O)N2CCC[C@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)n1C ZINC001571170923 952790988 /nfs/dbraw/zinc/79/09/88/952790988.db2.gz ZNEKMCMQWDVZJF-AWEZNQCLSA-N 1 0 380.456 1.356 20 0 GDADRO Cn1cnc(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571172597 952807702 /nfs/dbraw/zinc/80/77/02/952807702.db2.gz XZHGTTAPCPSZBV-GJZGRUSLSA-N 1 0 380.456 1.431 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)c1ccc(F)cn1 ZINC001571178835 952848439 /nfs/dbraw/zinc/84/84/39/952848439.db2.gz VZLYVHRCEZVAGF-LRDDRELGSA-N 1 0 381.415 1.794 20 0 GDADRO Cc1ncoc1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571179323 952851787 /nfs/dbraw/zinc/85/17/87/952851787.db2.gz BMHMFCHVSNISNS-CQSZACIVSA-N 1 0 381.440 1.805 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)co1 ZINC001571179900 952856619 /nfs/dbraw/zinc/85/66/19/952856619.db2.gz JRIMASVMGKEZRT-AWEZNQCLSA-N 1 0 381.440 1.757 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)no1 ZINC001571179944 952857929 /nfs/dbraw/zinc/85/79/29/952857929.db2.gz KUSUVOKEHFILGZ-GJZGRUSLSA-N 1 0 381.440 1.994 20 0 GDADRO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2C)o1 ZINC001571180270 952859339 /nfs/dbraw/zinc/85/93/39/952859339.db2.gz OCZORJPPYZICJU-SJKOYZFVSA-N 1 0 381.440 1.342 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC001571182735 952868456 /nfs/dbraw/zinc/86/84/56/952868456.db2.gz CXYWJPSKMAUZQL-GASCZTMLSA-N 1 0 381.440 1.562 20 0 GDADRO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)ccc1C ZINC001571182901 952871128 /nfs/dbraw/zinc/87/11/28/952871128.db2.gz JBWWJPIPHLJAGY-OAHLLOKOSA-N 1 0 381.440 1.516 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3F)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571183057 952872769 /nfs/dbraw/zinc/87/27/69/952872769.db2.gz NARUDWOQNODPGF-GTNSWQLSSA-N 1 0 381.415 1.826 20 0 GDADRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1 ZINC001571183078 952873464 /nfs/dbraw/zinc/87/34/64/952873464.db2.gz NTYCITWKEHQOHC-AWEZNQCLSA-N 1 0 381.440 1.598 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCC[C@H](C)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571186835 952908915 /nfs/dbraw/zinc/90/89/15/952908915.db2.gz ZZSTXLIERPHSBT-XHDPSFHLSA-N 1 0 381.444 1.068 20 0 GDADRO Cc1ncn(C)c1C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571188580 952917284 /nfs/dbraw/zinc/91/72/84/952917284.db2.gz LKAHGXNPRORIJO-CYBMUJFWSA-N 1 0 381.444 1.011 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)Cc3ncccc3F)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571196474 952981956 /nfs/dbraw/zinc/98/19/56/952981956.db2.gz KYTDLIUDKVKNGT-LBPRGKRZSA-N 1 0 382.403 1.042 20 0 GDADRO O=C(c1cncc(F)c1)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571199945 953005632 /nfs/dbraw/zinc/00/56/32/953005632.db2.gz DQNKRNBKHXEWQF-AWEZNQCLSA-N 1 0 382.403 1.325 20 0 GDADRO O=C(c1cc[nH]n1)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571201513 953018529 /nfs/dbraw/zinc/01/85/29/953018529.db2.gz QVBNCFCNNSWUNP-OKILXGFUSA-N 1 0 382.403 1.218 20 0 GDADRO Cc1cc(C(=O)N2CCC(CN(C)c3cc[nH+]cc3-c3nn[nH]n3)CC2)no1 ZINC001571202249 953023847 /nfs/dbraw/zinc/02/38/47/953023847.db2.gz SDLDHDDPNFMXCQ-UHFFFAOYSA-N 1 0 382.428 1.547 20 0 GDADRO O=C(N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cncc(F)c1 ZINC001571202462 953025257 /nfs/dbraw/zinc/02/52/57/953025257.db2.gz XSPVHKBJCOLMFQ-HDJSIYSDSA-N 1 0 382.403 1.371 20 0 GDADRO Cc1cc(CCC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C)no1 ZINC001571202533 953027091 /nfs/dbraw/zinc/02/70/91/953027091.db2.gz UPAHBRACAQGKAC-WFASDCNBSA-N 1 0 382.428 1.014 20 0 GDADRO O=C(N1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@]12C[C@H]1COC2 ZINC001571210354 953071276 /nfs/dbraw/zinc/07/12/76/953071276.db2.gz PQGBCZPKLPMWBE-SYNHAJSKSA-N 1 0 382.468 1.231 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210849 953075089 /nfs/dbraw/zinc/07/50/89/953075089.db2.gz YMBHEILPRFFQGB-BZSNNMDCSA-N 1 0 382.468 1.611 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CC12CCOCC2 ZINC001571214318 953101531 /nfs/dbraw/zinc/10/15/31/953101531.db2.gz XCOAKQREPWDXQM-BBWFWOEESA-N 1 0 382.468 1.420 20 0 GDADRO CC[N@@H+]1C[C@H](NC(=O)c2cnc(C(F)(F)F)c(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC001571216707 953103564 /nfs/dbraw/zinc/10/35/64/953103564.db2.gz CJYHRPPVIUXCTB-NSHDSACASA-N 1 0 383.378 1.741 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCN(C(=O)c2conc2C)C1 ZINC001571220113 953128559 /nfs/dbraw/zinc/12/85/59/953128559.db2.gz XHHYJQNVZMJBRN-CQSZACIVSA-N 1 0 383.412 1.176 20 0 GDADRO O=C(Cc1ccc[nH]1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571229381 953169292 /nfs/dbraw/zinc/16/92/92/953169292.db2.gz DEPYTKQEXKDXAR-AWEZNQCLSA-N 1 0 383.431 1.515 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571230108 953173801 /nfs/dbraw/zinc/17/38/01/953173801.db2.gz RWSBBUODQRJULW-SHTZXODSSA-N 1 0 383.431 1.963 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571230045 953173866 /nfs/dbraw/zinc/17/38/66/953173866.db2.gz RLNQIPFKWXYHKP-MLGOLLRUSA-N 1 0 383.431 1.595 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571230250 953175219 /nfs/dbraw/zinc/17/52/19/953175219.db2.gz BFCWRVAAHYSXQH-JKSUJKDBSA-N 1 0 383.456 1.390 20 0 GDADRO Cc1cc(N2CCOC[C@@H]2CNC(=O)C2CC3(CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232109 953185488 /nfs/dbraw/zinc/18/54/88/953185488.db2.gz BHKVBEMZZPWJLR-AWEZNQCLSA-N 1 0 383.456 1.082 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232915 953189646 /nfs/dbraw/zinc/18/96/46/953189646.db2.gz MDGFJDBAAUDTJI-NRXGSXMXSA-N 1 0 383.456 1.224 20 0 GDADRO CCn1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571233247 953190950 /nfs/dbraw/zinc/19/09/50/953190950.db2.gz PYWHJDNNDWTQDF-CHWSQXEVSA-N 1 0 383.460 1.052 20 0 GDADRO Cc1cc(N2CCC3(C[C@@H]3NC(=O)[C@@H]3CCCO3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233483 953193113 /nfs/dbraw/zinc/19/31/13/953193113.db2.gz WGIHJLGPSKWYSC-HOTGVXAUSA-N 1 0 383.456 1.224 20 0 GDADRO Cc1ncsc1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234181 953199927 /nfs/dbraw/zinc/19/99/27/953199927.db2.gz OWYNMDMIBPCWHZ-CQSZACIVSA-N 1 0 383.481 1.884 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571234252 953200353 /nfs/dbraw/zinc/20/03/53/953200353.db2.gz QZZRBYDQVKMNRC-ZWKOTPCHSA-N 1 0 383.500 1.432 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571238847 953233138 /nfs/dbraw/zinc/23/31/38/953233138.db2.gz AZFUWHDDYQOJOV-AWEZNQCLSA-N 1 0 384.419 1.384 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571238932 953233640 /nfs/dbraw/zinc/23/36/40/953233640.db2.gz CJPYFRRSDSQCPL-AWEZNQCLSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)[C@H]2C)[nH]n1 ZINC001571238885 953234090 /nfs/dbraw/zinc/23/40/90/953234090.db2.gz BRQAXUIQPSUTQQ-ABAIWWIYSA-N 1 0 384.419 1.430 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)[nH]n1 ZINC001571239172 953236760 /nfs/dbraw/zinc/23/67/60/953236760.db2.gz HEMOJHDKDBLEAN-CQSZACIVSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571239170 953236778 /nfs/dbraw/zinc/23/67/78/953236778.db2.gz HDZHTEXUHKFIMF-UHFFFAOYSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1c[nH]c(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571239871 953243770 /nfs/dbraw/zinc/24/37/70/953243770.db2.gz SSNXCXAKWPKFHV-UHFFFAOYSA-N 1 0 384.419 1.336 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1n[nH]cc1F ZINC001571239978 953244551 /nfs/dbraw/zinc/24/45/51/953244551.db2.gz WNHQOOYNCSOUDU-FZMZJTMJSA-N 1 0 384.419 1.512 20 0 GDADRO C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC001571239945 953245035 /nfs/dbraw/zinc/24/50/35/953245035.db2.gz VFKOSFXGSNFBMV-SMDDNHRTSA-N 1 0 384.419 1.227 20 0 GDADRO C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C[NH2+]Cc1cncc(F)c1 ZINC001571239943 953245059 /nfs/dbraw/zinc/24/50/59/953245059.db2.gz VFKOSFXGSNFBMV-FZMZJTMJSA-N 1 0 384.419 1.227 20 0 GDADRO Cc1cnn(C)c1C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571241878 953250555 /nfs/dbraw/zinc/25/05/55/953250555.db2.gz OHSAYLDSRYELPU-CQSZACIVSA-N 1 0 384.419 1.052 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)[nH]1 ZINC001571241944 953251414 /nfs/dbraw/zinc/25/14/14/953251414.db2.gz QJLCOFCWCBVAHQ-CQSZACIVSA-N 1 0 384.419 1.350 20 0 GDADRO Cn1cnc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)c1 ZINC001571242103 953253295 /nfs/dbraw/zinc/25/32/95/953253295.db2.gz UVRCXSUOSFYZKP-CYBMUJFWSA-N 1 0 384.419 1.134 20 0 GDADRO CCc1onc(C)c1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C ZINC001571242413 953256255 /nfs/dbraw/zinc/25/62/55/953256255.db2.gz FSVIHPSRTAGKGF-SMDDNHRTSA-N 1 0 384.444 1.446 20 0 GDADRO CCc1nocc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001571242970 953261954 /nfs/dbraw/zinc/26/19/54/953261954.db2.gz SFQNJNLURRAUGZ-AAEUAGOBSA-N 1 0 384.444 1.528 20 0 GDADRO CCc1cnc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571243081 953262630 /nfs/dbraw/zinc/26/26/30/953262630.db2.gz VIMFKPFPARWBLC-DGCLKSJQSA-N 1 0 384.444 1.434 20 0 GDADRO C[C@H]1CN(C(=O)c2cnsn2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571244760 953266331 /nfs/dbraw/zinc/26/63/31/953266331.db2.gz HOVMFVLLFVTOMM-FZMZJTMJSA-N 1 0 384.469 1.359 20 0 GDADRO C[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571246309 953282572 /nfs/dbraw/zinc/28/25/72/953282572.db2.gz XTXCKTQQJJNXED-VGXVWSLXSA-N 1 0 384.459 1.988 20 0 GDADRO C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001571247648 953284670 /nfs/dbraw/zinc/28/46/70/953284670.db2.gz BPLLGOSUOHNTJH-DOTOQJQBSA-N 1 0 384.484 1.716 20 0 GDADRO CO[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571247721 953284997 /nfs/dbraw/zinc/28/49/97/953284997.db2.gz CJNJVEBQJSLROM-ROUUACIJSA-N 1 0 384.484 1.715 20 0 GDADRO COCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571247973 953288071 /nfs/dbraw/zinc/28/80/71/953288071.db2.gz KBMSOJNCIUHFBH-ZWKOTPCHSA-N 1 0 384.484 1.859 20 0 GDADRO C[C@@]1(NC(=O)C2CCC(O)CC2)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571247997 953288937 /nfs/dbraw/zinc/28/89/37/953288937.db2.gz KTEDRXXPYNECIW-MKJPBZQASA-N 1 0 384.484 1.498 20 0 GDADRO CC1(C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCOCC1 ZINC001571248160 953290910 /nfs/dbraw/zinc/29/09/10/953290910.db2.gz MLKHKHQALRKSKZ-INIZCTEOSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H]1OCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571248242 953291772 /nfs/dbraw/zinc/29/17/72/953291772.db2.gz OMEIUTJEYJNEMV-YOEHRIQHSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CN(C(=O)CC2(C)CC2)CCO1 ZINC001571248469 953293133 /nfs/dbraw/zinc/29/31/33/953293133.db2.gz UZYKNGDVISIKET-YOEHRIQHSA-N 1 0 384.484 1.762 20 0 GDADRO COC1CC(C(=O)N(C)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001571248412 953293150 /nfs/dbraw/zinc/29/31/50/953293150.db2.gz SRNDBUZKQUBXTN-UHFFFAOYSA-N 1 0 384.484 1.715 20 0 GDADRO CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571248515 953294599 /nfs/dbraw/zinc/29/45/99/953294599.db2.gz WEVPODOVLHGIQP-FOIQADDNSA-N 1 0 384.484 1.859 20 0 GDADRO CC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC001571248498 953294729 /nfs/dbraw/zinc/29/47/29/953294729.db2.gz VWLGBKPWAXMPTM-MRXNPFEDSA-N 1 0 384.484 1.764 20 0 GDADRO Cc1noc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571248603 953295159 /nfs/dbraw/zinc/29/51/59/953295159.db2.gz HKFDUMVZVLALPT-STQMWFEESA-N 1 0 384.444 1.488 20 0 GDADRO C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571249046 953300163 /nfs/dbraw/zinc/30/01/63/953300163.db2.gz BTAQGGBOIBCDRI-QGPMSJSTSA-N 1 0 384.484 1.477 20 0 GDADRO Cc1nocc1C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571249286 953303787 /nfs/dbraw/zinc/30/37/87/953303787.db2.gz NHMNADFUXWHKEK-NNUKFRKNSA-N 1 0 384.444 1.570 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571249653 953305612 /nfs/dbraw/zinc/30/56/12/953305612.db2.gz KEGLFCRAZXBJBU-PBHICJAKSA-N 1 0 384.488 1.077 20 0 GDADRO COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)CC(C)C)C[C@H]3C2)cc1-c1nn[nH]n1 ZINC001571251086 953314435 /nfs/dbraw/zinc/31/44/35/953314435.db2.gz VWWIZERWWQUFSM-IYBDPMFKSA-N 1 0 384.484 1.812 20 0 GDADRO O=C([C@H]1CCCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571251088 953314882 /nfs/dbraw/zinc/31/48/82/953314882.db2.gz VXFFOTIHLSNEQS-AEFFLSMTSA-N 1 0 384.484 1.622 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571251820 953320638 /nfs/dbraw/zinc/32/06/38/953320638.db2.gz ANNPZIAGHXGXOY-CVEARBPZSA-N 1 0 384.488 1.539 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252476 953328366 /nfs/dbraw/zinc/32/83/66/953328366.db2.gz NMXHTCSSVILNHD-CVEARBPZSA-N 1 0 384.488 1.539 20 0 GDADRO Cc1nc(N2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571252865 953333595 /nfs/dbraw/zinc/33/35/95/953333595.db2.gz XMINUDZKMALTTA-GOEBONIOSA-N 1 0 384.488 1.092 20 0 GDADRO Cc1cc(C(=O)N2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]2C)no1 ZINC001571253891 953334540 /nfs/dbraw/zinc/33/45/40/953334540.db2.gz ASBRLMVRRSEHBP-QMTHXVAHSA-N 1 0 385.403 1.695 20 0 GDADRO Cc1nocc1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571254512 953340402 /nfs/dbraw/zinc/34/04/02/953340402.db2.gz GZUVOUHQUXTEFZ-CQSZACIVSA-N 1 0 385.403 1.697 20 0 GDADRO C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC001571255725 953354548 /nfs/dbraw/zinc/35/45/48/953354548.db2.gz SSEBJMVBMXLQQH-CQSZACIVSA-N 1 0 385.403 1.730 20 0 GDADRO Cc1nocc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571255919 953357552 /nfs/dbraw/zinc/35/75/52/953357552.db2.gz WKVPNHZJPKEJIW-YEORSEQZSA-N 1 0 385.403 1.600 20 0 GDADRO O=C(Cc1ccon1)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571256084 953363902 /nfs/dbraw/zinc/36/39/02/953363902.db2.gz XUTZOFNEWWECLN-OAHLLOKOSA-N 1 0 385.403 1.317 20 0 GDADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)[NH+](C)C ZINC000874401402 956160573 /nfs/dbraw/zinc/16/05/73/956160573.db2.gz KBXOASHJXSQDCN-DNVCBOLYSA-N 1 0 376.501 1.834 20 0 GDADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001589175700 956497741 /nfs/dbraw/zinc/49/77/41/956497741.db2.gz IYIZJRXNRCCOSP-OAHLLOKOSA-N 1 0 389.500 1.455 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)C2)CC1 ZINC001343117100 958028061 /nfs/dbraw/zinc/02/80/61/958028061.db2.gz LHEHWNVKBWOMJD-GDIGMMSISA-N 1 0 386.496 1.767 20 0 GDADRO CC[C@@H](CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000874386936 969372267 /nfs/dbraw/zinc/37/22/67/969372267.db2.gz HRWGSZYPUUWZRS-IBGZPJMESA-N 1 0 388.512 1.672 20 0 GDADRO O=C([O-])C1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC2(CCC2)C1 ZINC000911322280 982345550 /nfs/dbraw/zinc/34/55/50/982345550.db2.gz CNKWVPGXVCVGGS-UHFFFAOYSA-N 1 0 386.496 1.745 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC001594515368 985872980 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UOJWZHAIUHBQIB-JTQLQIEISA-N 1 0 383.333 1.636 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000159129416 530539598 /nfs/dbraw/zinc/53/95/98/530539598.db2.gz KKXDEAFQHUTAPS-YOEHRIQHSA-N 1 0 383.539 1.422 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1c(Cl)nc2ccccn21 ZINC000161722926 530562754 /nfs/dbraw/zinc/56/27/54/530562754.db2.gz AALHQWWKNSVIFY-ZDUSSCGKSA-N 1 0 386.905 1.503 20 0 GDADRO COc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000161726808 530563203 /nfs/dbraw/zinc/56/32/03/530563203.db2.gz SNGZXJGRQSVGSN-ZDUSSCGKSA-N 1 0 376.906 1.864 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000161754950 530563622 /nfs/dbraw/zinc/56/36/22/530563622.db2.gz CICXZBNMYFZJFC-NWDGAFQWSA-N 1 0 379.258 1.545 20 0 GDADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000162023341 530565036 /nfs/dbraw/zinc/56/50/36/530565036.db2.gz YWRHLOGAYICNLO-UHFFFAOYSA-N 1 0 376.201 1.830 20 0 GDADRO CCOc1cc(C[NH2+]CCO)cc(Br)c1OCC(=O)N(C)C ZINC000017309905 530565974 /nfs/dbraw/zinc/56/59/74/530565974.db2.gz AKXAIBHNLYRDEN-UHFFFAOYSA-N 1 0 375.263 1.397 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000162566931 530569632 /nfs/dbraw/zinc/56/96/32/530569632.db2.gz CCDCSLXIENCGCH-CQSZACIVSA-N 1 0 384.933 1.256 20 0 GDADRO CC[NH+]1CCN(CC(=O)NCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000023991192 530576025 /nfs/dbraw/zinc/57/60/25/530576025.db2.gz NCSBCZGFTHJZTJ-UHFFFAOYSA-N 1 0 397.317 1.450 20 0 GDADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC[N@@H+]1C ZINC000164251511 530579206 /nfs/dbraw/zinc/57/92/06/530579206.db2.gz CRPHUYWCQRNPMJ-VHSXEESVSA-N 1 0 377.869 1.681 20 0 GDADRO C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000165379296 530580857 /nfs/dbraw/zinc/58/08/57/530580857.db2.gz UJWOBOUNXJRHPB-NWDGAFQWSA-N 1 0 383.290 1.877 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000171190584 530595814 /nfs/dbraw/zinc/59/58/14/530595814.db2.gz YEIQCSWYZGEEBI-AWEZNQCLSA-N 1 0 383.290 1.572 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1 ZINC000031819138 530604201 /nfs/dbraw/zinc/60/42/01/530604201.db2.gz WFNKCTYGUFDWOL-UHFFFAOYSA-N 1 0 387.874 1.429 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000171948106 530605457 /nfs/dbraw/zinc/60/54/57/530605457.db2.gz PSHGDBWUYAPNHU-UHFFFAOYSA-N 1 0 380.290 1.693 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CNS(=O)(=O)c1cccs1)c1cccc(F)c1 ZINC000032731829 530609314 /nfs/dbraw/zinc/60/93/14/530609314.db2.gz RORRJDWZIDLHGU-AWEZNQCLSA-N 1 0 385.486 1.585 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(CCNC(C)=O)s2)C1 ZINC000173954317 530640104 /nfs/dbraw/zinc/64/01/04/530640104.db2.gz NFEPQIXKJHPWEA-HNNXBMFYSA-N 1 0 387.571 1.779 20 0 GDADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CCC1 ZINC000173915330 530640144 /nfs/dbraw/zinc/64/01/44/530640144.db2.gz RFWAGUMEQUHTIA-UHFFFAOYSA-N 1 0 391.946 1.719 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000173949857 530640152 /nfs/dbraw/zinc/64/01/52/530640152.db2.gz WCWUUIXQCDBDSN-MRXNPFEDSA-N 1 0 388.555 1.584 20 0 GDADRO CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000044869359 530641135 /nfs/dbraw/zinc/64/11/35/530641135.db2.gz UDCYYGWARMEQAU-GJZGRUSLSA-N 1 0 385.555 1.815 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)c3c[nH]c(=O)c(Br)c3)cn2)CC1 ZINC000173018553 530621482 /nfs/dbraw/zinc/62/14/82/530621482.db2.gz XOVFKCDXDISHCP-UHFFFAOYSA-N 1 0 392.257 1.537 20 0 GDADRO CCOC[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000176328403 530681918 /nfs/dbraw/zinc/68/19/18/530681918.db2.gz XHBJEGJOQRKCIE-ZDUSSCGKSA-N 1 0 398.301 1.862 20 0 GDADRO Cn1cc(N2CCC[C@@H]([NH2+][C@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000174196665 530644362 /nfs/dbraw/zinc/64/43/62/530644362.db2.gz CGAXRDFBUPNBLW-ZBFHGGJFSA-N 1 0 392.301 1.968 20 0 GDADRO C[C@@H](CCNC(=O)CS[C@@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1ccccc1 ZINC000174415582 530647556 /nfs/dbraw/zinc/64/75/56/530647556.db2.gz HRYRURGZLSQIMR-DOTOQJQBSA-N 1 0 384.567 1.934 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000174524918 530649734 /nfs/dbraw/zinc/64/97/34/530649734.db2.gz OEFMJRDRBXIJLM-AWEZNQCLSA-N 1 0 387.933 1.761 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000174491350 530650124 /nfs/dbraw/zinc/65/01/24/530650124.db2.gz UZGJJBPTMFSYNJ-LLVKDONJSA-N 1 0 379.935 1.480 20 0 GDADRO COc1cc(C[NH2+]C[C@](C)(O)CN2CCOCC2)c(Br)cc1O ZINC000174489490 530650229 /nfs/dbraw/zinc/65/02/29/530650229.db2.gz OYRBJLLSGVXZIA-INIZCTEOSA-N 1 0 389.290 1.336 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000046313484 530651358 /nfs/dbraw/zinc/65/13/58/530651358.db2.gz IGSOEJDSDFFPOQ-MRXNPFEDSA-N 1 0 376.567 1.468 20 0 GDADRO CN(CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)S(=O)(=O)c1ccc(Cl)cc1 ZINC000047226832 530657006 /nfs/dbraw/zinc/65/70/06/530657006.db2.gz XEMGSSVFTJUJDZ-HZPDHXFCSA-N 1 0 385.917 1.704 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)c3cncc(Br)c3)ccn2)CC1 ZINC000048329515 530667782 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GDADRO COC(=O)[C@@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CC[N@H+](C)C1 ZINC000413918280 531423676 /nfs/dbraw/zinc/42/36/76/531423676.db2.gz LCSKNBADCQRNAI-JTQLQIEISA-N 1 0 395.257 1.502 20 0 GDADRO C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000532587576 531423672 /nfs/dbraw/zinc/42/36/72/531423672.db2.gz WFMNNTKHMYTHEC-UHFFFAOYSA-N 1 0 384.274 1.615 20 0 GDADRO O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000533032744 531427441 /nfs/dbraw/zinc/42/74/41/531427441.db2.gz LGNJHEULKQXILZ-HUUCEWRRSA-N 1 0 398.301 1.678 20 0 GDADRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533538546 531430747 /nfs/dbraw/zinc/43/07/47/531430747.db2.gz SPHVBXROHMHJAG-CYBMUJFWSA-N 1 0 380.242 1.985 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000267495811 531428658 /nfs/dbraw/zinc/42/86/58/531428658.db2.gz FMKXKLDHCXPPOH-UHFFFAOYSA-N 1 0 376.475 1.354 20 0 GDADRO CN(C)c1ccc(Cl)cc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267489993 531429196 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NS(=O)(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000414284933 531437896 /nfs/dbraw/zinc/43/78/96/531437896.db2.gz LBGXMGSGBCTYCA-UONOGXRCSA-N 1 0 388.331 1.813 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)[C@@H](C[NH3+])C1 ZINC000293716706 531439377 /nfs/dbraw/zinc/43/93/77/531439377.db2.gz RRHSWXIITXWGOD-JGVFFNPUSA-N 1 0 396.332 1.357 20 0 GDADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)Nc1ccccc1I ZINC000447912748 531440546 /nfs/dbraw/zinc/44/05/46/531440546.db2.gz HIDMOICVCXDAMX-STQMWFEESA-N 1 0 390.221 1.359 20 0 GDADRO NS(=O)(=O)c1cc(Br)cnc1N1CCC([NH+]2CCCC2)CC1 ZINC000448166607 531448255 /nfs/dbraw/zinc/44/82/55/531448255.db2.gz ZIZABZRTWCPDSX-UHFFFAOYSA-N 1 0 389.319 1.556 20 0 GDADRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414361877 531443191 /nfs/dbraw/zinc/44/31/91/531443191.db2.gz UFGAHMKQHKHTJB-MNOVXSKESA-N 1 0 390.303 1.230 20 0 GDADRO CC(C)(CO)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414361925 531443316 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CCS(=O)(=O)N(C)CCCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000267820253 531454820 /nfs/dbraw/zinc/45/48/20/531454820.db2.gz GUATZNWUFSICEB-UHFFFAOYSA-N 1 0 390.575 1.493 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(Cc2c(Br)c(C)nn2C)CC1 ZINC000279689518 531449103 /nfs/dbraw/zinc/44/91/03/531449103.db2.gz BLSGSWDYUZWKIY-UHFFFAOYSA-N 1 0 386.338 1.477 20 0 GDADRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000448178729 531449791 /nfs/dbraw/zinc/44/97/91/531449791.db2.gz NYDQOEOJTPFTRL-CZUORRHYSA-N 1 0 389.543 1.123 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000415309044 531473314 /nfs/dbraw/zinc/47/33/14/531473314.db2.gz LTBPUOFVZSLRTO-UHFFFAOYSA-N 1 0 381.274 1.857 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000540901256 531473469 /nfs/dbraw/zinc/47/34/69/531473469.db2.gz YVGNUPOYTZZKCJ-GJZGRUSLSA-N 1 0 379.507 1.484 20 0 GDADRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449605902 531473656 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C[C@H]1Cc2cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)ccc2N1S(C)(=O)=O ZINC000449722820 531475029 /nfs/dbraw/zinc/47/50/29/531475029.db2.gz QGRRRDYPMDEJKX-TVQRCGJNSA-N 1 0 379.404 1.407 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](CC[NH3+])C(F)(F)F)s1 ZINC000449724132 531475323 /nfs/dbraw/zinc/47/53/23/531475323.db2.gz SJDYKFJJUUCSMZ-GHMZBOCLSA-N 1 0 399.460 1.606 20 0 GDADRO O=C(Nc1cc(C(F)(F)F)ccc1Br)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415327613 531475572 /nfs/dbraw/zinc/47/55/72/531475572.db2.gz LDYZKIUCOWTDRC-MRVPVSSYSA-N 1 0 380.164 1.885 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415330733 531475668 /nfs/dbraw/zinc/47/56/68/531475668.db2.gz LKUGRIJABQUGTD-SECBINFHSA-N 1 0 388.251 1.834 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccccc1I ZINC000415329262 531475775 /nfs/dbraw/zinc/47/57/75/531475775.db2.gz KAFOXWNIKVMXMQ-SNVBAGLBSA-N 1 0 387.221 1.346 20 0 GDADRO CN(C(=O)C(=O)Nc1cc(F)c(Br)cc1F)C1CC[NH2+]CC1 ZINC000415333694 531476301 /nfs/dbraw/zinc/47/63/01/531476301.db2.gz WQJDRCKRMOPTFW-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415337396 531476316 /nfs/dbraw/zinc/47/63/16/531476316.db2.gz XJZMLXASLZUGKO-QMMMGPOBSA-N 1 0 380.164 1.885 20 0 GDADRO CCOC(=O)CCS(=O)(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363223136 531476583 /nfs/dbraw/zinc/47/65/83/531476583.db2.gz VXSUVAJHLRHMLL-HUUCEWRRSA-N 1 0 376.519 1.091 20 0 GDADRO CC[C@@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)C(=O)NC ZINC000449781859 531476618 /nfs/dbraw/zinc/47/66/18/531476618.db2.gz XFVNIGBZGJUARZ-LLVKDONJSA-N 1 0 392.237 1.923 20 0 GDADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000415335136 531476612 /nfs/dbraw/zinc/47/66/12/531476612.db2.gz TZKDPGCMVCWZHD-UHFFFAOYSA-N 1 0 384.933 1.800 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415339381 531476814 /nfs/dbraw/zinc/47/68/14/531476814.db2.gz BSRQBVCURKNRPQ-SNVBAGLBSA-N 1 0 377.242 1.756 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(I)cc1 ZINC000415333386 531476903 /nfs/dbraw/zinc/47/69/03/531476903.db2.gz OSTRYBORJHPVMS-JTQLQIEISA-N 1 0 387.221 1.346 20 0 GDADRO Cc1noc(Cl)c1CCC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000268123517 531477101 /nfs/dbraw/zinc/47/71/01/531477101.db2.gz AHCPRQUJGXLRLY-CYBMUJFWSA-N 1 0 391.921 1.536 20 0 GDADRO COc1cc(Br)c(C[NH2+]CCCCn2cc(C(N)=O)nn2)cc1O ZINC000414570829 531458995 /nfs/dbraw/zinc/45/89/95/531458995.db2.gz SRAZYOIUMMHKMO-UHFFFAOYSA-N 1 0 398.261 1.424 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000414738273 531462246 /nfs/dbraw/zinc/46/22/46/531462246.db2.gz HWDQLSBQLZNYBV-LBPRGKRZSA-N 1 0 378.445 1.867 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000415349949 531477486 /nfs/dbraw/zinc/47/74/86/531477486.db2.gz HEPUNRUQWGBBRG-UHFFFAOYSA-N 1 0 398.257 1.560 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000279957961 531463130 /nfs/dbraw/zinc/46/31/30/531463130.db2.gz MKRQMWZQNOMLPC-UHFFFAOYSA-N 1 0 380.290 1.693 20 0 GDADRO Cc1nn(C)c(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1Br ZINC000414977724 531464569 /nfs/dbraw/zinc/46/45/69/531464569.db2.gz RPGBECOCROQVMT-LLVKDONJSA-N 1 0 384.244 1.417 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2CNCCO2)CC1 ZINC000415092931 531465166 /nfs/dbraw/zinc/46/51/66/531465166.db2.gz HEBXOQZSRUEBCZ-MRXNPFEDSA-N 1 0 396.329 1.940 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000487767203 531478008 /nfs/dbraw/zinc/47/80/08/531478008.db2.gz PLLOCLKJQAKCFG-GHMZBOCLSA-N 1 0 394.324 1.586 20 0 GDADRO CCN(CCC[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000449084284 531465951 /nfs/dbraw/zinc/46/59/51/531465951.db2.gz GFOLPBLCMYJJBK-AWEZNQCLSA-N 1 0 376.544 1.455 20 0 GDADRO [NH3+]CCN(CCO)C(=O)Nc1cc(F)c(F)cc1I ZINC000415243661 531468136 /nfs/dbraw/zinc/46/81/36/531468136.db2.gz WNMSUAMSSYGXTM-UHFFFAOYSA-N 1 0 385.152 1.354 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCc2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000415351919 531477668 /nfs/dbraw/zinc/47/76/68/531477668.db2.gz KHDMCJVBLSZCRC-WCQYABFASA-N 1 0 380.286 1.843 20 0 GDADRO CCOCCOC[C@H](O)C[NH2+]Cc1ccc(I)cc1 ZINC000449283914 531469016 /nfs/dbraw/zinc/46/90/16/531469016.db2.gz MSIYWGKRWVTABZ-CQSZACIVSA-N 1 0 379.238 1.795 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415261228 531469543 /nfs/dbraw/zinc/46/95/43/531469543.db2.gz DFGCPPSKZJSBDT-SECBINFHSA-N 1 0 386.246 1.355 20 0 GDADRO C[C@@H](C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449324046 531469701 /nfs/dbraw/zinc/46/97/01/531469701.db2.gz XNSIPLFGAQYREU-GOEBONIOSA-N 1 0 388.555 1.597 20 0 GDADRO O=C(Nc1cnn(-c2ccccc2Br)c1)C(=O)N1CC[NH2+]CC1 ZINC000415277633 531470750 /nfs/dbraw/zinc/47/07/50/531470750.db2.gz GMTNIGJSQPPHEC-UHFFFAOYSA-N 1 0 378.230 1.005 20 0 GDADRO C[NH+](C)C1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 ZINC000363095644 531471234 /nfs/dbraw/zinc/47/12/34/531471234.db2.gz MJHJQRJEUJGOBM-HNNXBMFYSA-N 1 0 385.555 1.844 20 0 GDADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000415292271 531471416 /nfs/dbraw/zinc/47/14/16/531471416.db2.gz JCSVWRUZLFBAPL-SECBINFHSA-N 1 0 390.665 1.999 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000415349051 531477779 /nfs/dbraw/zinc/47/77/79/531477779.db2.gz CKGUOKXPVNSJSB-QMMMGPOBSA-N 1 0 393.612 1.443 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415357455 531478451 /nfs/dbraw/zinc/47/84/51/531478451.db2.gz RWYQJMSVGREZML-LLVKDONJSA-N 1 0 392.257 1.381 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000415360760 531479363 /nfs/dbraw/zinc/47/93/63/531479363.db2.gz YFXNIXPOPCGDJR-SNVBAGLBSA-N 1 0 377.242 1.743 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1C(=O)OC ZINC000415367740 531479759 /nfs/dbraw/zinc/47/97/59/531479759.db2.gz KVXIBGNYMBOZNY-UHFFFAOYSA-N 1 0 390.209 1.039 20 0 GDADRO CN(C)S(=O)(=O)CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000543281286 531480173 /nfs/dbraw/zinc/48/01/73/531480173.db2.gz IBJHSXJPJCSYKN-UHFFFAOYSA-N 1 0 387.933 1.560 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415371567 531480178 /nfs/dbraw/zinc/48/01/78/531480178.db2.gz SWRJDRGVNNNXMQ-UHFFFAOYSA-N 1 0 397.163 1.234 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000487979234 531480463 /nfs/dbraw/zinc/48/04/63/531480463.db2.gz ZMGONHAOJZVIRP-KSZLIROESA-N 1 0 376.563 1.954 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000415375606 531480649 /nfs/dbraw/zinc/48/06/49/531480649.db2.gz KFZNBOLHMCJMCN-JTQLQIEISA-N 1 0 390.267 1.825 20 0 GDADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000415377033 531480998 /nfs/dbraw/zinc/48/09/98/531480998.db2.gz AFHAIGKJMHPAIZ-UHFFFAOYSA-N 1 0 397.163 1.361 20 0 GDADRO C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000543757864 531481861 /nfs/dbraw/zinc/48/18/61/531481861.db2.gz MIDAFKKDWJJQBY-CYBMUJFWSA-N 1 0 385.917 1.775 20 0 GDADRO CC1(CNC(=O)C(=O)N2CCc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000415552494 531493326 /nfs/dbraw/zinc/49/33/26/531493326.db2.gz AQEDBPITOFCLDQ-UHFFFAOYSA-N 1 0 380.286 1.844 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415405401 531482898 /nfs/dbraw/zinc/48/28/98/531482898.db2.gz OCXZGCRKXUYDND-LLVKDONJSA-N 1 0 380.286 1.992 20 0 GDADRO Cc1cc(F)c(NC(=O)NC[C@H]2C[NH2+]CCO2)c(I)c1 ZINC000415404488 531483247 /nfs/dbraw/zinc/48/32/47/531483247.db2.gz MVLMRDVNAMVYEA-SECBINFHSA-N 1 0 393.200 1.849 20 0 GDADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415401505 531483381 /nfs/dbraw/zinc/48/33/81/531483381.db2.gz HKJUMKHQVZKEMB-NSHDSACASA-N 1 0 398.276 1.983 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(I)cc1C ZINC000415414822 531484252 /nfs/dbraw/zinc/48/42/52/531484252.db2.gz PRGNJFLDBLOFPO-SECBINFHSA-N 1 0 389.237 1.510 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000268207222 531484311 /nfs/dbraw/zinc/48/43/11/531484311.db2.gz YSHQMTBHAIEYHR-NSHDSACASA-N 1 0 388.237 1.364 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415432137 531484779 /nfs/dbraw/zinc/48/47/79/531484779.db2.gz FOGWBGMTOVQGFL-LLVKDONJSA-N 1 0 389.237 1.638 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415546088 531493428 /nfs/dbraw/zinc/49/34/28/531493428.db2.gz XLLJLMOJRAYGCO-GHMZBOCLSA-N 1 0 387.889 1.268 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1I ZINC000415429917 531485333 /nfs/dbraw/zinc/48/53/33/531485333.db2.gz QRQGGRQCGIXRIC-SNVBAGLBSA-N 1 0 389.237 1.719 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1)C1CC1 ZINC000415441344 531485696 /nfs/dbraw/zinc/48/56/96/531485696.db2.gz AMSMXZQKAGTYOT-ZDUSSCGKSA-N 1 0 392.257 1.427 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000415546263 531493471 /nfs/dbraw/zinc/49/34/71/531493471.db2.gz AHKBMBNBUIHZHM-LURJTMIESA-N 1 0 397.163 1.361 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(I)cc2)CC[C@H]1[NH3+] ZINC000415446811 531486697 /nfs/dbraw/zinc/48/66/97/531486697.db2.gz IMTQTXGWZZOPPX-BXKDBHETSA-N 1 0 387.221 1.425 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000268235209 531487562 /nfs/dbraw/zinc/48/75/62/531487562.db2.gz ZPTBWLRNDQPAOH-BMIGLBTASA-N 1 0 396.285 1.995 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1I ZINC000415468722 531489129 /nfs/dbraw/zinc/48/91/29/531489129.db2.gz WSYYPTQTRXLZJB-GFCCVEGCSA-N 1 0 389.237 1.638 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)CC1 ZINC000415480385 531490090 /nfs/dbraw/zinc/49/00/90/531490090.db2.gz UAMWVAZDIQTDGM-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000415491005 531490168 /nfs/dbraw/zinc/49/01/68/531490168.db2.gz CTJOWPHARPEXLO-JTQLQIEISA-N 1 0 375.878 1.316 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415494391 531491141 /nfs/dbraw/zinc/49/11/41/531491141.db2.gz ZJOSYYFGSFMQFS-GFCCVEGCSA-N 1 0 377.242 1.886 20 0 GDADRO Cn1ncc(Br)c1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000450288298 531492864 /nfs/dbraw/zinc/49/28/64/531492864.db2.gz SUJMRGMHDYNHEE-ZIAGYGMSSA-N 1 0 393.285 1.548 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](CCO)c1ccccc1Br ZINC000542910675 531478029 /nfs/dbraw/zinc/47/80/29/531478029.db2.gz XURXUQRAIALMAP-CJNGLKHVSA-N 1 0 385.302 1.957 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)C[NH+](C)C ZINC000294406658 531478047 /nfs/dbraw/zinc/47/80/47/531478047.db2.gz XFCSCASJOLOEHP-ZJUUUORDSA-N 1 0 376.320 1.943 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(F)c1I ZINC000415660485 531510960 /nfs/dbraw/zinc/51/09/60/531510960.db2.gz OACDHWMPAJHWGS-MRVPVSSYSA-N 1 0 393.200 1.483 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000581731481 531512754 /nfs/dbraw/zinc/51/27/54/531512754.db2.gz BVSKLVQGQCCKCN-UHFFFAOYSA-N 1 0 384.274 1.615 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415689663 531514200 /nfs/dbraw/zinc/51/42/00/531514200.db2.gz LEUGQLBDYRBEEM-AWEZNQCLSA-N 1 0 376.201 1.863 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Br)ccc2N2CCCC2)CCC1 ZINC000415560862 531495674 /nfs/dbraw/zinc/49/56/74/531495674.db2.gz NHFOORDBWSMIJV-UHFFFAOYSA-N 1 0 395.301 1.985 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])c1 ZINC000415563241 531495709 /nfs/dbraw/zinc/49/57/09/531495709.db2.gz YBCCJYIKCIJSJI-VIFPVBQESA-N 1 0 375.210 1.392 20 0 GDADRO COC(=O)C[C@@H]1CSCCN1CCC[N@@H+]1CCSC[C@H]1CC(=O)OC ZINC000489289812 531496054 /nfs/dbraw/zinc/49/60/54/531496054.db2.gz KFYPJCCXGYOMHM-HUUCEWRRSA-N 1 0 390.571 1.338 20 0 GDADRO COc1ccc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC000415569094 531497229 /nfs/dbraw/zinc/49/72/29/531497229.db2.gz JRYKIDDJENVRMT-INIZCTEOSA-N 1 0 384.274 1.902 20 0 GDADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000556517604 531497587 /nfs/dbraw/zinc/49/75/87/531497587.db2.gz DBUWUQZRAHEVAT-INIZCTEOSA-N 1 0 397.317 1.916 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000610134873 531498019 /nfs/dbraw/zinc/49/80/19/531498019.db2.gz CBGNRLFBBZHCIN-ZBFHGGJFSA-N 1 0 375.535 1.311 20 0 GDADRO CCCN(CCC[NH+](C)C)C(=O)c1c(I)cnn1C ZINC000294799064 531498232 /nfs/dbraw/zinc/49/82/32/531498232.db2.gz DDUGYLNDFNDRDL-UHFFFAOYSA-N 1 0 378.258 1.829 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415581006 531498422 /nfs/dbraw/zinc/49/84/22/531498422.db2.gz RULAEHSKLFOZCR-SFYZADRCSA-N 1 0 376.201 1.862 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415586335 531498580 /nfs/dbraw/zinc/49/85/80/531498580.db2.gz BNGUWTQXUKACHS-KRWDZBQOSA-N 1 0 396.285 1.998 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000415592650 531499971 /nfs/dbraw/zinc/49/99/71/531499971.db2.gz NLUKQYUGAQCKOE-INIZCTEOSA-N 1 0 382.258 1.608 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415593240 531500038 /nfs/dbraw/zinc/50/00/38/531500038.db2.gz DDDNURVATJSQHN-ZCFIWIBFSA-N 1 0 381.601 1.347 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415588466 531500283 /nfs/dbraw/zinc/50/02/83/531500283.db2.gz ZSIVWTXWWHOHBB-YUMQZZPRSA-N 1 0 376.201 1.862 20 0 GDADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635652910 531500515 /nfs/dbraw/zinc/50/05/15/531500515.db2.gz TWLHIOCYOXUCKA-KGLIPLIRSA-N 1 0 382.448 1.733 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415603160 531500699 /nfs/dbraw/zinc/50/06/99/531500699.db2.gz SZWWHVJKLFFWSR-SNVBAGLBSA-N 1 0 380.246 1.096 20 0 GDADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415713284 531518964 /nfs/dbraw/zinc/51/89/64/531518964.db2.gz RVUDTAAVSAVRJE-LBPRGKRZSA-N 1 0 399.264 1.033 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363710281 531502733 /nfs/dbraw/zinc/50/27/33/531502733.db2.gz CEJYEYSMKWBXFT-DZGCQCFKSA-N 1 0 385.917 1.704 20 0 GDADRO COC(=O)c1c(Br)ccc(NC(=O)NCCN2CC[NH2+]CC2)c1C ZINC000415606251 531502899 /nfs/dbraw/zinc/50/28/99/531502899.db2.gz YICPTJVCQLFPTK-UHFFFAOYSA-N 1 0 399.289 1.571 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415605958 531503010 /nfs/dbraw/zinc/50/30/10/531503010.db2.gz DANBWKYPTRAOJK-SKDRFNHKSA-N 1 0 384.274 1.819 20 0 GDADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415607186 531503215 /nfs/dbraw/zinc/50/32/15/531503215.db2.gz QLFHSCMDNZAVHG-GFCCVEGCSA-N 1 0 384.274 1.697 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CCO1 ZINC000415611872 531503294 /nfs/dbraw/zinc/50/32/94/531503294.db2.gz YFCFJZKDCGSUTD-SNVBAGLBSA-N 1 0 393.241 1.122 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CCO1 ZINC000415610444 531503596 /nfs/dbraw/zinc/50/35/96/531503596.db2.gz VVKOZVMBJSSPKE-SNVBAGLBSA-N 1 0 377.775 1.109 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CCO1 ZINC000415608428 531503670 /nfs/dbraw/zinc/50/36/70/531503670.db2.gz SFFBTSQTUVQCPO-SNVBAGLBSA-N 1 0 380.857 1.588 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415623146 531505171 /nfs/dbraw/zinc/50/51/71/531505171.db2.gz FPITVBIKOBXMGP-LLVKDONJSA-N 1 0 384.274 1.963 20 0 GDADRO COCCOC[C@@H](O)C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000450678119 531505983 /nfs/dbraw/zinc/50/59/83/531505983.db2.gz SLJMFRTXTUESFZ-NEPJUHHUSA-N 1 0 390.274 1.895 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415647655 531507092 /nfs/dbraw/zinc/50/70/92/531507092.db2.gz FQTNNWRQGXVZHZ-PELKAZGASA-N 1 0 388.251 1.833 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)C1 ZINC000635753516 531507775 /nfs/dbraw/zinc/50/77/75/531507775.db2.gz MWWMSXSTPNXRBE-WBMJQRKESA-N 1 0 380.286 1.790 20 0 GDADRO C[NH+](C)CC1(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000635896859 531520616 /nfs/dbraw/zinc/52/06/16/531520616.db2.gz YFCNVJGTLDQMRE-UHFFFAOYSA-N 1 0 377.869 1.215 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cncc(Cl)c2)c1 ZINC000450917189 531520820 /nfs/dbraw/zinc/52/08/20/531520820.db2.gz SLCWRDYKJQPFKX-UHFFFAOYSA-N 1 0 382.873 1.827 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000415736355 531521585 /nfs/dbraw/zinc/52/15/85/531521585.db2.gz ZWMGUSLGZFQSTN-QGZVFWFLSA-N 1 0 396.285 1.998 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)ncc1Br ZINC000415741505 531522122 /nfs/dbraw/zinc/52/21/22/531522122.db2.gz KSSKPDOBWROBLO-WCQYABFASA-N 1 0 381.274 1.595 20 0 GDADRO C[C@@H]1CN(c2ccc(I)cn2)CC[N@@H+]1CC(C)(C)O ZINC000295089766 531522107 /nfs/dbraw/zinc/52/21/07/531522107.db2.gz SCOXZZJRDSCUQD-LLVKDONJSA-N 1 0 375.254 1.968 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415741362 531522376 /nfs/dbraw/zinc/52/23/76/531522376.db2.gz IJCSRHORLWNRIJ-NEPJUHHUSA-N 1 0 396.285 1.854 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415754455 531525248 /nfs/dbraw/zinc/52/52/48/531525248.db2.gz AZSUPWZGQINWPS-JTQLQIEISA-N 1 0 384.267 2.361 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415779953 531528164 /nfs/dbraw/zinc/52/81/64/531528164.db2.gz LLRYZSFRVLXEEY-DGCLKSJQSA-N 1 0 396.285 1.915 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])c(I)c1 ZINC000415777213 531528405 /nfs/dbraw/zinc/52/84/05/531528405.db2.gz CKQFYNMMZBCWAS-HTQZYQBOSA-N 1 0 393.200 1.529 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000415779621 531528471 /nfs/dbraw/zinc/52/84/71/531528471.db2.gz HYMODAZNWWWOBR-UWVGGRQHSA-N 1 0 384.267 2.278 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415779492 531528801 /nfs/dbraw/zinc/52/88/01/531528801.db2.gz BCNTXNXYNUWZDT-NSHDSACASA-N 1 0 380.246 1.427 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(OC)ccc2Br)C1 ZINC000658776927 531529782 /nfs/dbraw/zinc/52/97/82/531529782.db2.gz CULDQIZFUVDCDV-LLVKDONJSA-N 1 0 384.274 1.997 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000415792033 531531655 /nfs/dbraw/zinc/53/16/55/531531655.db2.gz RMCFLBCSVMNMMH-SECBINFHSA-N 1 0 380.189 1.495 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cnc2ncc(Br)cc2c1 ZINC000636050168 531531916 /nfs/dbraw/zinc/53/19/16/531531916.db2.gz CCDYGHKORAIQGJ-HNNXBMFYSA-N 1 0 393.285 1.969 20 0 GDADRO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000582057195 531532404 /nfs/dbraw/zinc/53/24/04/531532404.db2.gz RXFLJJJQFOGKFC-QGHHPUGFSA-N 1 0 396.285 1.923 20 0 GDADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415721128 531520009 /nfs/dbraw/zinc/52/00/09/531520009.db2.gz FTXYZUAWHCJPSZ-GFCCVEGCSA-N 1 0 399.264 1.033 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(OC)c(Br)cc2Cl)C1 ZINC000659076172 531537772 /nfs/dbraw/zinc/53/77/72/531537772.db2.gz WYFRDZMCTBHISY-MRVPVSSYSA-N 1 0 390.665 1.870 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000415827987 531538273 /nfs/dbraw/zinc/53/82/73/531538273.db2.gz DTOCLAZBDJLNOY-JTQLQIEISA-N 1 0 378.782 1.317 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415829763 531538773 /nfs/dbraw/zinc/53/87/73/531538773.db2.gz FITYREIDTOSWFP-CBAPKCEASA-N 1 0 376.201 1.909 20 0 GDADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(Br)c(F)c1)C(F)(F)F ZINC000415832048 531539168 /nfs/dbraw/zinc/53/91/68/531539168.db2.gz IEZQTTFPAWTTPM-VIFPVBQESA-N 1 0 386.143 1.923 20 0 GDADRO CCOC(=O)c1cc(C)sc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415838589 531539900 /nfs/dbraw/zinc/53/99/00/531539900.db2.gz NWTFPARUTUBIRJ-SECBINFHSA-N 1 0 381.376 1.568 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CCCC1 ZINC000659097937 531540100 /nfs/dbraw/zinc/54/01/00/531540100.db2.gz SPSAPZGPAOZBMX-UHFFFAOYSA-N 1 0 384.249 1.865 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])c(Cl)cc1Br ZINC000659088021 531540374 /nfs/dbraw/zinc/54/03/74/531540374.db2.gz YNKGRPSULANRGV-BQBZGAKWSA-N 1 0 378.654 1.902 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CCCO1 ZINC000659087054 531540494 /nfs/dbraw/zinc/54/04/94/531540494.db2.gz GJTCJRWTIQGKOE-QMMMGPOBSA-N 1 0 392.200 1.242 20 0 GDADRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280787346 531540680 /nfs/dbraw/zinc/54/06/80/531540680.db2.gz STEJOMMBGGUKQS-MWLCHTKSSA-N 1 0 381.292 1.145 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000659101746 531541400 /nfs/dbraw/zinc/54/14/00/531541400.db2.gz VTTZCIWEOPIJIA-UHFFFAOYSA-N 1 0 379.258 1.610 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)CC[C@H]1F ZINC000659108058 531541841 /nfs/dbraw/zinc/54/18/41/531541841.db2.gz HKMFDISVBFIPMT-VXGBXAGGSA-N 1 0 395.232 1.834 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1OC ZINC000659105718 531542384 /nfs/dbraw/zinc/54/23/84/531542384.db2.gz WYXBRPOQANPTJK-UHFFFAOYSA-N 1 0 398.257 1.273 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415852141 531543177 /nfs/dbraw/zinc/54/31/77/531543177.db2.gz IYZOBXYZSQIKJU-GFCCVEGCSA-N 1 0 389.681 1.061 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415862498 531544071 /nfs/dbraw/zinc/54/40/71/531544071.db2.gz KNXGDRSMFKYJLF-QLJPJBMISA-N 1 0 384.274 1.840 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415861461 531544335 /nfs/dbraw/zinc/54/43/35/531544335.db2.gz VZELLYPAZQINFP-SNVBAGLBSA-N 1 0 389.681 1.061 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC[C@H]1F ZINC000659683222 531553467 /nfs/dbraw/zinc/55/34/67/531553467.db2.gz VNTUDKWQWXTOBA-ZIAGYGMSSA-N 1 0 376.259 1.940 20 0 GDADRO O=C(NCCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccc(Br)cc1 ZINC000582290141 531546598 /nfs/dbraw/zinc/54/65/98/531546598.db2.gz LXVLBHKYLYCSFF-UKRRQHHQSA-N 1 0 395.301 1.572 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)cc1Cl ZINC000415867982 531546603 /nfs/dbraw/zinc/54/66/03/531546603.db2.gz XPWOOESMCZBXPI-LLVKDONJSA-N 1 0 390.267 1.907 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415872006 531548655 /nfs/dbraw/zinc/54/86/55/531548655.db2.gz VYPJNSWRCUOVLD-SECBINFHSA-N 1 0 377.775 1.027 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000659681880 531553741 /nfs/dbraw/zinc/55/37/41/531553741.db2.gz CXQGYLZPEQEKON-GFCCVEGCSA-N 1 0 384.274 1.585 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)[C@H](C[NH3+])C1 ZINC000659674407 531550663 /nfs/dbraw/zinc/55/06/63/531550663.db2.gz HERIYZOIOKSPBM-YGRLFVJLSA-N 1 0 386.265 1.790 20 0 GDADRO O=C(NCc1ccc(Br)cc1Cl)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686546 531552201 /nfs/dbraw/zinc/55/22/01/531552201.db2.gz GEXXQFGVFMOXJR-UHFFFAOYSA-N 1 0 386.677 1.587 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000552190116 531552017 /nfs/dbraw/zinc/55/20/17/531552017.db2.gz ZECZDFGSDGLVRB-NSHDSACASA-N 1 0 386.315 1.822 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000552176000 531552416 /nfs/dbraw/zinc/55/24/16/531552416.db2.gz TYBVOSFLRDCCTM-CYBMUJFWSA-N 1 0 380.286 1.760 20 0 GDADRO COC[C@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000280883787 531552502 /nfs/dbraw/zinc/55/25/02/531552502.db2.gz CUXKYMLAJVULCC-ONGXEEELSA-N 1 0 381.292 1.409 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000280886211 531552990 /nfs/dbraw/zinc/55/29/90/531552990.db2.gz FAOZJRRFASUBEK-HRCADAONSA-N 1 0 381.318 1.850 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000415819672 531536113 /nfs/dbraw/zinc/53/61/13/531536113.db2.gz JELYXCZPOGOHDV-QWHCGFSZSA-N 1 0 395.301 1.939 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000659708459 531554925 /nfs/dbraw/zinc/55/49/25/531554925.db2.gz RNQRCQVWXOEKSR-OTYXRUKQSA-N 1 0 386.265 1.880 20 0 GDADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000280899349 531555066 /nfs/dbraw/zinc/55/50/66/531555066.db2.gz OIHWZZUIOMYDMG-LBTBCDHLSA-N 1 0 386.945 1.919 20 0 GDADRO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000416021290 531555237 /nfs/dbraw/zinc/55/52/37/531555237.db2.gz CXMPAVWXRLQKFG-DGCLKSJQSA-N 1 0 381.420 1.736 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)Oc1ccc(Br)cc1 ZINC000659701580 531555256 /nfs/dbraw/zinc/55/52/56/531555256.db2.gz GJGSFFQIGPSLFI-DLGFLZQMSA-N 1 0 396.285 1.201 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000268700871 531558531 /nfs/dbraw/zinc/55/85/31/531558531.db2.gz VATXLAKIRBIJHH-UHFFFAOYSA-N 1 0 398.301 1.739 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000659739401 531558832 /nfs/dbraw/zinc/55/88/32/531558832.db2.gz SYPUXTBTMMQXDM-SECBINFHSA-N 1 0 377.329 1.977 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000659750016 531559073 /nfs/dbraw/zinc/55/90/73/531559073.db2.gz LSWCINJOSPUNDF-FZMZJTMJSA-N 1 0 398.301 1.845 20 0 GDADRO COCC[C@@H](C)S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000558436602 531560335 /nfs/dbraw/zinc/56/03/35/531560335.db2.gz LLCZOXXLIUAXKH-WBVHZDCISA-N 1 0 378.579 1.935 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000613192751 531564043 /nfs/dbraw/zinc/56/40/43/531564043.db2.gz YICCVNHWZYGQBH-WDEREUQCSA-N 1 0 379.262 1.589 20 0 GDADRO Cn1ncc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1I ZINC000295274144 531554643 /nfs/dbraw/zinc/55/46/43/531554643.db2.gz HXHOHHOULCIFJZ-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)CC2CC(F)(F)C2)cc1 ZINC000451227080 531569067 /nfs/dbraw/zinc/56/90/67/531569067.db2.gz MVTPNVOVXJOBMJ-AWEZNQCLSA-N 1 0 378.441 1.775 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613586838 531569751 /nfs/dbraw/zinc/56/97/51/531569751.db2.gz XMWIKLKMPZDYGY-CABCVRRESA-N 1 0 386.290 1.352 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)CCN2C1=O ZINC000583333987 531570948 /nfs/dbraw/zinc/57/09/48/531570948.db2.gz QAHDDCKSZNSTFE-MRVWCRGKSA-N 1 0 380.901 1.830 20 0 GDADRO COC(=O)Cn1cc(C[NH2+]C(C)(C)[C@@H](O)c2ccc(Br)cc2)nn1 ZINC000295390122 531571593 /nfs/dbraw/zinc/57/15/93/531571593.db2.gz LGPWULNZSWHRHM-HNNXBMFYSA-N 1 0 397.273 1.815 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636683899 531572319 /nfs/dbraw/zinc/57/23/19/531572319.db2.gz BBUFRXZPAPCYND-CYBMUJFWSA-N 1 0 399.289 1.062 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@@]2(OC(C)C)CCOC2)C1 ZINC000659931201 531573999 /nfs/dbraw/zinc/57/39/99/531573999.db2.gz MPYIAAXOHIEZAG-QZTJIDSGSA-N 1 0 376.563 1.858 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)C(F)(F)F ZINC000583439936 531575460 /nfs/dbraw/zinc/57/54/60/531575460.db2.gz AYMGRRJXNXHKIR-SNVBAGLBSA-N 1 0 396.163 1.790 20 0 GDADRO C[N@H+](C[C@H](O)CN1CCNC(=O)[C@H]1c1ccccc1Br)C1CC1 ZINC000554934834 531580845 /nfs/dbraw/zinc/58/08/45/531580845.db2.gz IYZGNFRHLNXVIZ-XJKSGUPXSA-N 1 0 382.302 1.377 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCC1(c2ccccc2Br)CC1 ZINC000636837623 531581586 /nfs/dbraw/zinc/58/15/86/531581586.db2.gz XYTFBXYWKYLNAN-ZDUSSCGKSA-N 1 0 382.302 1.847 20 0 GDADRO CC(C)OCCS(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000555945688 531586863 /nfs/dbraw/zinc/58/68/63/531586863.db2.gz JHAWPYYHBZFVFZ-QGZVFWFLSA-N 1 0 378.579 1.935 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583742621 531592205 /nfs/dbraw/zinc/59/22/05/531592205.db2.gz LJIRWURRYICXAS-WDMOLILDSA-N 1 0 383.279 1.960 20 0 GDADRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000494263758 531592364 /nfs/dbraw/zinc/59/23/64/531592364.db2.gz AMQOLWZEUGZIBN-VBQJREDUSA-N 1 0 386.539 1.421 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000636986162 531592450 /nfs/dbraw/zinc/59/24/50/531592450.db2.gz IESLOWGDNHQGCF-UHFFFAOYSA-N 1 0 387.326 1.008 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614347637 531593752 /nfs/dbraw/zinc/59/37/52/531593752.db2.gz IDGMIXRGMUPZBP-LLVKDONJSA-N 1 0 399.289 1.854 20 0 GDADRO CCOC(=O)c1ccc(CS(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000451346543 531594213 /nfs/dbraw/zinc/59/42/13/531594213.db2.gz FFLLWAKJTCYMRX-CVEARBPZSA-N 1 0 386.539 1.671 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NCCC[NH3+])cc(Br)c1C ZINC000583812052 531595185 /nfs/dbraw/zinc/59/51/85/531595185.db2.gz ODOLXJLXHRCXSZ-UHFFFAOYSA-N 1 0 379.276 1.561 20 0 GDADRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281223934 531595309 /nfs/dbraw/zinc/59/53/09/531595309.db2.gz VDTVAONVMXZUDX-HJIKLVIJSA-N 1 0 377.304 1.907 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000637049421 531598386 /nfs/dbraw/zinc/59/83/86/531598386.db2.gz PVEXCIHWRMRRDN-MRXNPFEDSA-N 1 0 397.317 1.437 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000583866398 531599660 /nfs/dbraw/zinc/59/96/60/531599660.db2.gz FTBLTXJACGOYKD-NXEZZACHSA-N 1 0 382.258 1.548 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295579323 531599852 /nfs/dbraw/zinc/59/98/52/531599852.db2.gz VRFBXBQDVRPIGS-LBPRGKRZSA-N 1 0 386.290 1.738 20 0 GDADRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000269015724 531600799 /nfs/dbraw/zinc/60/07/99/531600799.db2.gz NZTHMRVTEUNURA-JKIFEVAISA-N 1 0 388.555 1.471 20 0 GDADRO CCOC[C@@H](C)CS(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000451379483 531602448 /nfs/dbraw/zinc/60/24/48/531602448.db2.gz CIFFXEXNEAYPJC-QGZVFWFLSA-N 1 0 376.563 1.813 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CSc2ccc(Br)cc21 ZINC000637099414 531603324 /nfs/dbraw/zinc/60/33/24/531603324.db2.gz PAEZGVLCGJLEEG-WCQYABFASA-N 1 0 386.315 1.962 20 0 GDADRO CSCC[C@H]([NH3+])C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000269057356 531603649 /nfs/dbraw/zinc/60/36/49/531603649.db2.gz RQPLSAVGDKEHBH-NSHDSACASA-N 1 0 375.288 1.917 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CSc2ccc(Br)cc21 ZINC000637099412 531603952 /nfs/dbraw/zinc/60/39/52/531603952.db2.gz PAEZGVLCGJLEEG-AAEUAGOBSA-N 1 0 386.315 1.962 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000583995366 531606279 /nfs/dbraw/zinc/60/62/79/531606279.db2.gz GEJUHRWROIIIGF-NSHDSACASA-N 1 0 382.313 1.761 20 0 GDADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](CS(C)(=O)=O)C2CC2)cc1 ZINC000559783993 531608688 /nfs/dbraw/zinc/60/86/88/531608688.db2.gz FADLLLHMQQNIGE-QGZVFWFLSA-N 1 0 388.555 1.427 20 0 GDADRO O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000494557990 531611513 /nfs/dbraw/zinc/61/15/13/531611513.db2.gz OGBFFJUICQFLIZ-NSHDSACASA-N 1 0 379.404 1.998 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000584291464 531612497 /nfs/dbraw/zinc/61/24/97/531612497.db2.gz RLJNIIMNFAZBFZ-BQBZGAKWSA-N 1 0 377.264 1.435 20 0 GDADRO COc1cc(C[NH2+][C@@H]2COC[C@H]2O)cc(I)c1OC ZINC000295677350 531610730 /nfs/dbraw/zinc/61/07/30/531610730.db2.gz RREQMRKNXVIKTQ-GHMZBOCLSA-N 1 0 379.194 1.158 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000451437292 531615442 /nfs/dbraw/zinc/61/54/42/531615442.db2.gz XPDMQTPXQGGCPM-CYBMUJFWSA-N 1 0 377.913 1.925 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000584351732 531615515 /nfs/dbraw/zinc/61/55/15/531615515.db2.gz DWRBOJUUZPXOQD-WBVHZDCISA-N 1 0 386.901 1.469 20 0 GDADRO NS(=O)(=O)c1ccsc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000615109849 531612761 /nfs/dbraw/zinc/61/27/61/531612761.db2.gz XAIIMHMQRPBJQT-CYBMUJFWSA-N 1 0 381.479 1.214 20 0 GDADRO CC[NH+](CC)CC(=O)NC[C@H](Oc1ccc(Br)cc1)C(=O)OC ZINC000584282636 531613057 /nfs/dbraw/zinc/61/30/57/531613057.db2.gz CSXLHRVFMKGPPY-AWEZNQCLSA-N 1 0 387.274 1.828 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)C1 ZINC000269136533 531613738 /nfs/dbraw/zinc/61/37/38/531613738.db2.gz RCBANVXOTLAXLB-HOCLYGCPSA-N 1 0 385.555 1.215 20 0 GDADRO COc1cc(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c(Br)cc1O ZINC000637243538 531614410 /nfs/dbraw/zinc/61/44/10/531614410.db2.gz SXBGWQVGWDDZLZ-LLVKDONJSA-N 1 0 388.262 1.029 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c1OC ZINC000584351037 531614828 /nfs/dbraw/zinc/61/48/28/531614828.db2.gz NGQJBTVLJQKHGD-GFCCVEGCSA-N 1 0 389.905 1.600 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](C)[C@H](C)CO ZINC000295703580 531614845 /nfs/dbraw/zinc/61/48/45/531614845.db2.gz JLZBRUYGDMHPKD-ZIAGYGMSSA-N 1 0 377.528 1.251 20 0 GDADRO CSC[C@@H]1CCCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000559964262 531617630 /nfs/dbraw/zinc/61/76/30/531617630.db2.gz CRBBFUVDSLVTPM-HNNXBMFYSA-N 1 0 385.599 1.818 20 0 GDADRO C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)[C@@H]1CCC[NH2+]C1 ZINC000269168309 531618090 /nfs/dbraw/zinc/61/80/90/531618090.db2.gz DMFSPWUIOJMCHA-ZIAGYGMSSA-N 1 0 385.555 1.579 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000660302663 531619088 /nfs/dbraw/zinc/61/90/88/531619088.db2.gz JODXRRQAVVSFBL-AWEZNQCLSA-N 1 0 388.921 1.402 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000494734648 531620058 /nfs/dbraw/zinc/62/00/58/531620058.db2.gz KKEZCGVZPNTWCB-CHWSQXEVSA-N 1 0 397.324 1.747 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000584528745 531622269 /nfs/dbraw/zinc/62/22/69/531622269.db2.gz RZWCBGZKMGZSEX-JTQLQIEISA-N 1 0 382.258 1.994 20 0 GDADRO CO[C@H]1C[C@H]([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)C1(C)C ZINC000451485905 531624055 /nfs/dbraw/zinc/62/40/55/531624055.db2.gz DGXDDDDMICXRTP-KBPBESRZSA-N 1 0 398.301 1.907 20 0 GDADRO O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494898428 531624182 /nfs/dbraw/zinc/62/41/82/531624182.db2.gz RMQJQCFKZWGQMO-UONOGXRCSA-N 1 0 383.539 1.747 20 0 GDADRO CC(C)C[NH2+]C1(CO)CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000660694478 531627211 /nfs/dbraw/zinc/62/72/11/531627211.db2.gz DFCSYORZVQQQBO-UHFFFAOYSA-N 1 0 399.333 1.855 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000495124122 531627676 /nfs/dbraw/zinc/62/76/76/531627676.db2.gz ULNLMSINVIFUMO-NSHDSACASA-N 1 0 381.274 1.793 20 0 GDADRO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000495241371 531628191 /nfs/dbraw/zinc/62/81/91/531628191.db2.gz PHXLZXVUKOIQBW-MEDUHNTESA-N 1 0 389.905 1.409 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C[C@@H]1[NH+]1CCCC1 ZINC000416465880 531628299 /nfs/dbraw/zinc/62/82/99/531628299.db2.gz NJRCBJLEAYWURS-DZGCQCFKSA-N 1 0 383.495 1.734 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC[C@@H]1[NH3+] ZINC000269244124 531628318 /nfs/dbraw/zinc/62/83/18/531628318.db2.gz ZEJPJDXBRAKKFC-LRDDRELGSA-N 1 0 385.917 1.934 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000281539153 531629401 /nfs/dbraw/zinc/62/94/01/531629401.db2.gz BCGIKIMZPWHVPC-GJZGRUSLSA-N 1 0 389.539 1.659 20 0 GDADRO C[C@H](CNC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1)C[NH+]1CCCC1 ZINC000660829404 531631926 /nfs/dbraw/zinc/63/19/26/531631926.db2.gz QPNGQPPCBFEGCL-GFCCVEGCSA-N 1 0 386.543 1.195 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638031425 531642403 /nfs/dbraw/zinc/64/24/03/531642403.db2.gz HGZNJDMFAHCLAM-STQMWFEESA-N 1 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CC[NH+]1CCN(CC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CC1 ZINC000618365238 531686559 /nfs/dbraw/zinc/68/65/59/531686559.db2.gz XKKJSIHCEPAYNL-KRWDZBQOSA-N 1 0 396.329 1.987 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662548984 531687840 /nfs/dbraw/zinc/68/78/40/531687840.db2.gz YFMJJHUTKKCIIA-GXTWGEPZSA-N 1 0 384.274 1.566 20 0 GDADRO CC(=O)NCC[N@H+](CCC(=O)NC(N)=O)Cc1ccc(Br)s1 ZINC000503213573 531688210 /nfs/dbraw/zinc/68/82/10/531688210.db2.gz BVLJKEQEKGAYRA-UHFFFAOYSA-N 1 0 391.291 1.034 20 0 GDADRO CS[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000296474293 531697622 /nfs/dbraw/zinc/69/76/22/531697622.db2.gz XYXLBRNXLCKZNJ-VHSXEESVSA-N 1 0 375.416 1.984 20 0 GDADRO C[C@@H]1[C@H](O)CCCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000296489585 531699282 /nfs/dbraw/zinc/69/92/82/531699282.db2.gz YTGAVKCKEDDWOC-BXUZGUMPSA-N 1 0 384.274 1.349 20 0 GDADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c(F)cc1F ZINC000662564052 531690411 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CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(Cl)s1 ZINC000366358997 531740987 /nfs/dbraw/zinc/74/09/87/531740987.db2.gz UMQZQCVNFHXHFE-DTWKUNHWSA-N 1 0 384.932 1.178 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)s1 ZINC000416924877 531746239 /nfs/dbraw/zinc/74/62/39/531746239.db2.gz XRAKDFIQELZDJU-QWHCGFSZSA-N 1 0 388.559 1.670 20 0 GDADRO COC(=O)[C@]12C[N@H+](C[C@@H](O)c3cccc(Br)c3)C[C@H]1COCC2 ZINC000366479981 531747991 /nfs/dbraw/zinc/74/79/91/531747991.db2.gz ZOYMSEDVURAYNA-YSVLISHTSA-N 1 0 384.270 1.994 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000416940893 531748194 /nfs/dbraw/zinc/74/81/94/531748194.db2.gz AXCMPWVOSOOZCH-UHFFFAOYSA-N 1 0 376.910 1.245 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000269767336 531748689 /nfs/dbraw/zinc/74/86/89/531748689.db2.gz LNWVKEKOPLRDGE-LBPRGKRZSA-N 1 0 376.500 1.050 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000416952986 531748786 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O=C(NCCc1ccc(F)c(Br)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417191294 531757085 /nfs/dbraw/zinc/75/70/85/531757085.db2.gz ZIANUDVTLDNFBJ-CQSZACIVSA-N 1 0 399.308 1.820 20 0 GDADRO CC1(CNC(=O)NCCNC(=O)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000417202838 531757532 /nfs/dbraw/zinc/75/75/32/531757532.db2.gz BZLSYRSAAYUQJW-UHFFFAOYSA-N 1 0 397.317 1.868 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621839193 531758766 /nfs/dbraw/zinc/75/87/66/531758766.db2.gz PAHMLBGWWRSHLK-SUMWQHHRSA-N 1 0 380.286 1.714 20 0 GDADRO [NH3+][C@H](c1cn(CC(=O)Nc2ccc(Br)cc2F)nn1)[C@@H]1CCCO1 ZINC000640759561 531760627 /nfs/dbraw/zinc/76/06/27/531760627.db2.gz WKFZNGVBVHKBDE-DZGCQCFKSA-N 1 0 398.236 1.997 20 0 GDADRO C[C@H](C[NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000562519505 531761393 /nfs/dbraw/zinc/76/13/93/531761393.db2.gz SWWCISRHXGAPJM-CYBMUJFWSA-N 1 0 376.544 1.501 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCc1ccc(Br)cc1)C2 ZINC000621841589 531761695 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GDADRO C[C@H]1CN(C(=O)NCCCNC(=O)c2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000417436844 531772006 /nfs/dbraw/zinc/77/20/06/531772006.db2.gz PRDLHOAIEXLLGP-SWLSCSKDSA-N 1 0 397.317 1.948 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452361807 531772588 /nfs/dbraw/zinc/77/25/88/531772588.db2.gz KGIYEDPHTKQCOW-GFCCVEGCSA-N 1 0 386.290 1.738 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000641034649 531773594 /nfs/dbraw/zinc/77/35/94/531773594.db2.gz UAAJKHNTKPHKIV-HUUCEWRRSA-N 1 0 395.301 1.774 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452363391 531773752 /nfs/dbraw/zinc/77/37/52/531773752.db2.gz LXRNBQMHEHYHEZ-CYBMUJFWSA-N 1 0 385.306 1.487 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1csc(I)c1 ZINC000452353416 531773882 /nfs/dbraw/zinc/77/38/82/531773882.db2.gz UJSBOMYTSPMWHX-NSHDSACASA-N 1 0 394.278 1.929 20 0 GDADRO O=C(NCCCNC(=O)c1ccc(Br)cc1)NC1CC[NH2+]CC1 ZINC000417455846 531775212 /nfs/dbraw/zinc/77/52/12/531775212.db2.gz 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CC[NH2+]CCNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000418327019 531821354 /nfs/dbraw/zinc/82/13/54/531821354.db2.gz PJRICWTZDRNDGM-UHFFFAOYSA-N 1 0 383.290 1.526 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000624176302 531834189 /nfs/dbraw/zinc/83/41/89/531834189.db2.gz IAKDWLMQDJJHJP-CMPLNLGQSA-N 1 0 392.319 1.078 20 0 GDADRO CN(C)S(=O)(=O)N1CC([NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000624285528 531837469 /nfs/dbraw/zinc/83/74/69/531837469.db2.gz VLSICHOXSDPOJN-OAHLLOKOSA-N 1 0 388.331 1.907 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1cccc(Cl)c1Cl ZINC000418753191 531837664 /nfs/dbraw/zinc/83/76/64/531837664.db2.gz AKWUNZAIXBRXTJ-MFKMUULPSA-N 1 0 388.295 1.881 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1cccc(Cl)c1Cl ZINC000418753192 531837824 /nfs/dbraw/zinc/83/78/24/531837824.db2.gz AKWUNZAIXBRXTJ-ZWNOBZJWSA-N 1 0 388.295 1.881 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418757183 531837854 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388.331 1.903 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000418788942 531840776 /nfs/dbraw/zinc/84/07/76/531840776.db2.gz WCZCJJYAWJVQNM-PSOPSSQASA-N 1 0 396.285 1.270 20 0 GDADRO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000624389469 531841095 /nfs/dbraw/zinc/84/10/95/531841095.db2.gz BUKWKCTZZLVKSG-DGCLKSJQSA-N 1 0 379.404 1.194 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)NCc2cc(OC)ccc2Br)CC1 ZINC000418788915 531841355 /nfs/dbraw/zinc/84/13/55/531841355.db2.gz VZUHKVDJOBFZGL-UHFFFAOYSA-N 1 0 384.274 1.284 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000418787363 531841420 /nfs/dbraw/zinc/84/14/20/531841420.db2.gz UEQVMKDZPQCHGN-UHFFFAOYSA-N 1 0 382.258 1.110 20 0 GDADRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C[NH2+]1 ZINC000624405288 531843179 /nfs/dbraw/zinc/84/31/79/531843179.db2.gz HNLFZYJFJLANOV-ZWNOBZJWSA-N 1 0 380.919 1.303 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)s1 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SPJKTZSXMPZKTD-YZENIEGJSA-N 1 0 398.276 1.675 20 0 GDADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000641625841 531845214 /nfs/dbraw/zinc/84/52/14/531845214.db2.gz XZDYHRKQKFCWPV-PBHICJAKSA-N 1 0 388.555 1.831 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000624407197 531845186 /nfs/dbraw/zinc/84/51/86/531845186.db2.gz VLJLGKXJDAIPTR-UONOGXRCSA-N 1 0 389.543 1.136 20 0 GDADRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C[NH2+]1 ZINC000624406552 531845203 /nfs/dbraw/zinc/84/52/03/531845203.db2.gz GBIPUFZGZYYGDT-ZYHUDNBSSA-N 1 0 379.404 1.398 20 0 GDADRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc3c(cc2Br)OCCO3)C[NH2+]1 ZINC000624406764 531845216 /nfs/dbraw/zinc/84/52/16/531845216.db2.gz LFJLSGUDHPFVFE-NXEZZACHSA-N 1 0 391.287 1.639 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418813150 531845190 /nfs/dbraw/zinc/84/51/90/531845190.db2.gz SPJKTZSXMPZKTD-PBUVFVDJSA-N 1 0 398.276 1.675 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2C1 ZINC000624411601 531845461 /nfs/dbraw/zinc/84/54/61/531845461.db2.gz NRMFZCKCOJZNKU-CALCHBBNSA-N 1 0 383.539 1.273 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000641623591 531845563 /nfs/dbraw/zinc/84/55/63/531845563.db2.gz JMSRUSZIHNMFRT-DZGCQCFKSA-N 1 0 389.543 1.226 20 0 GDADRO CO[C@H](C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(Cl)cc1 ZINC000283270316 531846525 /nfs/dbraw/zinc/84/65/25/531846525.db2.gz WOFKTPOXMWQBGO-IXDOHACOSA-N 1 0 388.917 1.115 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418828969 531847443 /nfs/dbraw/zinc/84/74/43/531847443.db2.gz MRINRMLLLUHYKG-CORIIIEPSA-N 1 0 380.286 1.680 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418934518 531865825 /nfs/dbraw/zinc/86/58/25/531865825.db2.gz FVLZGIXBVAKCIR-RISCZKNCSA-N 1 0 384.274 1.058 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000642981320 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/nfs/dbraw/zinc/86/39/12/531863912.db2.gz DIPLKBBUYFCGAN-OLZOCXBDSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000642777581 531863937 /nfs/dbraw/zinc/86/39/37/531863937.db2.gz LXRUZHFMZQGIGP-GXTWGEPZSA-N 1 0 398.301 1.591 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418920318 531863839 /nfs/dbraw/zinc/86/38/39/531863839.db2.gz BNTREMNLMNINAD-VXGBXAGGSA-N 1 0 384.249 1.272 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000270404349 531864461 /nfs/dbraw/zinc/86/44/61/531864461.db2.gz GEUNLQSJVRXTCI-ZIAGYGMSSA-N 1 0 396.285 1.381 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595004594 531864642 /nfs/dbraw/zinc/86/46/42/531864642.db2.gz CEOHUGJGZSVFNE-CYBMUJFWSA-N 1 0 394.278 1.807 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418926600 531865378 /nfs/dbraw/zinc/86/53/78/531865378.db2.gz VCQSTWNXSHOSNC-RISCZKNCSA-N 1 0 384.249 1.067 20 0 GDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000642971020 531865653 /nfs/dbraw/zinc/86/56/53/531865653.db2.gz PUARHVKTKPVAGZ-JTQLQIEISA-N 1 0 379.404 1.318 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCOc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000418946704 531870755 /nfs/dbraw/zinc/87/07/55/531870755.db2.gz LULOALJNIRJQJP-OLZOCXBDSA-N 1 0 398.301 1.448 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418950437 531870886 /nfs/dbraw/zinc/87/08/86/531870886.db2.gz ORLDPIWRLBPQDZ-YPMHNXCESA-N 1 0 384.274 1.188 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000564959750 531870970 /nfs/dbraw/zinc/87/09/70/531870970.db2.gz LXEMUSZNMPQXBC-ZDUSSCGKSA-N 1 0 378.516 1.093 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000595245147 531871753 /nfs/dbraw/zinc/87/17/53/531871753.db2.gz QERMKZDLJOADEH-ZCFIWIBFSA-N 1 0 397.163 1.232 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1C(=O)OC ZINC000595243134 531871782 /nfs/dbraw/zinc/87/17/82/531871782.db2.gz BPOUSZUIVWCXML-ZETCQYMHSA-N 1 0 390.209 1.037 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000595243732 531871860 /nfs/dbraw/zinc/87/18/60/531871860.db2.gz HAYQJGHNGPGXKG-VIFPVBQESA-N 1 0 386.246 1.207 20 0 GDADRO CC(C)OC[C@H]([NH3+])C(=O)NCCc1ccc(I)s1 ZINC000595253144 531872504 /nfs/dbraw/zinc/87/25/04/531872504.db2.gz IMLQZLLQCBNPQT-JTQLQIEISA-N 1 0 382.267 1.764 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595254001 531873399 /nfs/dbraw/zinc/87/33/99/531873399.db2.gz YMWUZESXFJAXGP-UHFFFAOYSA-N 1 0 396.241 1.042 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000565660309 531874412 /nfs/dbraw/zinc/87/44/12/531874412.db2.gz YLGIMYZMARYRHD-VXGBXAGGSA-N 1 0 388.511 1.554 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000298308613 531874931 /nfs/dbraw/zinc/87/49/31/531874931.db2.gz MRFFQIMMKWESRS-UHFFFAOYSA-N 1 0 382.313 1.728 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCCc2cccc(Br)c2)CCCCC1 ZINC000418996341 531876906 /nfs/dbraw/zinc/87/69/06/531876906.db2.gz SOTPFHVMRZPSAB-UHFFFAOYSA-N 1 0 382.302 1.886 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418992664 531877513 /nfs/dbraw/zinc/87/75/13/531877513.db2.gz OIBSKNAUCFTQRO-SWLSCSKDSA-N 1 0 382.302 1.836 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000673581105 531880149 /nfs/dbraw/zinc/88/01/49/531880149.db2.gz ZJHOUNLCWZXQHW-UHFFFAOYSA-N 1 0 394.944 1.629 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000419010475 531880711 /nfs/dbraw/zinc/88/07/11/531880711.db2.gz PSWLUZSUAKYFPS-ZYHUDNBSSA-N 1 0 384.274 1.455 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NCC2=CC[NH2+]CC2)cc1Br ZINC000419013133 531880762 /nfs/dbraw/zinc/88/07/62/531880762.db2.gz YQIJRPKTLKZFCW-LLVKDONJSA-N 1 0 396.285 1.671 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000419011730 531880794 /nfs/dbraw/zinc/88/07/94/531880794.db2.gz TVJFUXQHRYLKAB-VHRBIJSZSA-N 1 0 398.301 1.879 20 0 GDADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCCOCC[NH+](C)C ZINC000625119532 531881221 /nfs/dbraw/zinc/88/12/21/531881221.db2.gz BTQZBWWEZMXWOX-UHFFFAOYSA-N 1 0 386.392 1.450 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419023700 531883291 /nfs/dbraw/zinc/88/32/91/531883291.db2.gz PALHBZACNCNKTR-CYBMUJFWSA-N 1 0 384.274 1.505 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419024888 531883298 /nfs/dbraw/zinc/88/32/98/531883298.db2.gz RCYUZWDLOGQCBB-OCCSQVGLSA-N 1 0 396.285 1.729 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418942456 531869515 /nfs/dbraw/zinc/86/95/15/531869515.db2.gz XBBIMNYJOZWCPR-LBPRGKRZSA-N 1 0 382.302 1.793 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000419048839 531891535 /nfs/dbraw/zinc/89/15/35/531891535.db2.gz BAVHLLQGSMYKHK-UZMCECQYSA-N 1 0 394.313 1.692 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419052374 531892597 /nfs/dbraw/zinc/89/25/97/531892597.db2.gz HQXDGRXMEJUACZ-TZMCWYRMSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419053431 531892898 /nfs/dbraw/zinc/89/28/98/531892898.db2.gz JXTNSAKGFPMOKK-GXTWGEPZSA-N 1 0 382.302 1.755 20 0 GDADRO CC[C@@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[C@@H]1[NH3+] ZINC000647006761 531892987 /nfs/dbraw/zinc/89/29/87/531892987.db2.gz VEDUSBPOQAUYAE-RISCZKNCSA-N 1 0 393.285 1.745 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)NCc1cccc(Br)c1Cl ZINC000419054955 531893531 /nfs/dbraw/zinc/89/35/31/531893531.db2.gz NIBFWBIXUFTRIA-UHFFFAOYSA-N 1 0 388.693 1.977 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419055589 531893617 /nfs/dbraw/zinc/89/36/17/531893617.db2.gz ONYYUIVNOZTWRF-LKFCYVNXSA-N 1 0 386.265 1.489 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419056176 531893626 /nfs/dbraw/zinc/89/36/26/531893626.db2.gz QFRXMRWWJUFBBA-KGLIPLIRSA-N 1 0 382.302 1.836 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCc1cc(Br)cs1)C[NH+]1CCCC1 ZINC000283774273 531893890 /nfs/dbraw/zinc/89/38/90/531893890.db2.gz BKPPFMANSNWNEJ-NSHDSACASA-N 1 0 388.331 1.975 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)[NH+](C)C ZINC000674245967 531894581 /nfs/dbraw/zinc/89/45/81/531894581.db2.gz ZDJOQFIIUAZDCD-NWDGAFQWSA-N 1 0 383.290 1.971 20 0 GDADRO C[NH+]1CCC2(CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)C2)CC1 ZINC000647724960 531895575 /nfs/dbraw/zinc/89/55/75/531895575.db2.gz GHOUHNMUVVDDJG-UHFFFAOYSA-N 1 0 391.946 1.624 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CCCSCc2ccccc2)[C@@H](N2CCOCC2)C1 ZINC000270575981 531895808 /nfs/dbraw/zinc/89/58/08/531895808.db2.gz PICSUOXVUJCARI-ROUUACIJSA-N 1 0 384.567 1.397 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419063617 531896467 /nfs/dbraw/zinc/89/64/67/531896467.db2.gz GSUKUDRGKLZALI-NOZJJQNGSA-N 1 0 388.693 1.962 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419060774 531896633 /nfs/dbraw/zinc/89/66/33/531896633.db2.gz ZZEZMGGRBQCMSB-NSHDSACASA-N 1 0 388.693 1.929 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419075645 531897671 /nfs/dbraw/zinc/89/76/71/531897671.db2.gz VAEMHYGHECIXKQ-SECBINFHSA-N 1 0 376.682 1.690 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419077390 531897696 /nfs/dbraw/zinc/89/76/96/531897696.db2.gz JCXJPHBOEJEJRG-CQSZACIVSA-N 1 0 382.302 1.696 20 0 GDADRO CN1CCN(C(=O)CCOc2ccc(Cl)cc2Br)[C@@H](C[NH3+])C1 ZINC000647873481 531899166 /nfs/dbraw/zinc/89/91/66/531899166.db2.gz ORDJELSICBSEKU-LBPRGKRZSA-N 1 0 390.709 1.973 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419083299 531899284 /nfs/dbraw/zinc/89/92/84/531899284.db2.gz WDEVBPPXMADBQP-UHFFFAOYSA-N 1 0 382.302 1.665 20 0 GDADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)C(=O)N1CCC[NH2+]CC1 ZINC000419031633 531884629 /nfs/dbraw/zinc/88/46/29/531884629.db2.gz ALNIEKUCDRPPLU-CYBMUJFWSA-N 1 0 382.258 1.211 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000419036822 531886132 /nfs/dbraw/zinc/88/61/32/531886132.db2.gz HKPRFUSYSSDIQC-AWEZNQCLSA-N 1 0 396.285 1.586 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(CC(=O)N(C)Cc2cc(Br)cs2)CCO1 ZINC000647863594 531899394 /nfs/dbraw/zinc/89/93/94/531899394.db2.gz FWZLGYRBVKPCOD-MFKMUULPSA-N 1 0 376.320 1.517 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000270524117 531886776 /nfs/dbraw/zinc/88/67/76/531886776.db2.gz UGCGABJXNHUMRM-KBPBESRZSA-N 1 0 391.946 1.366 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419040050 531887087 /nfs/dbraw/zinc/88/70/87/531887087.db2.gz LOGNWJDUSDNODU-DYVFJYSZSA-N 1 0 396.285 1.586 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000419042242 531887327 /nfs/dbraw/zinc/88/73/27/531887327.db2.gz LKHXPEQYOVCOJD-SCZZXKLOSA-N 1 0 378.420 1.973 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419044247 531888385 /nfs/dbraw/zinc/88/83/85/531888385.db2.gz SYCVABQADNCMBY-ZWNOBZJWSA-N 1 0 382.258 1.339 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419043121 531888420 /nfs/dbraw/zinc/88/84/20/531888420.db2.gz NCMWXDBMTQGGSH-JOYOIKCWSA-N 1 0 375.803 1.672 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)c1nc(C(F)(F)F)cs1 ZINC000419045481 531889775 /nfs/dbraw/zinc/88/97/75/531889775.db2.gz SFEKRQXWEJMYMQ-ZJUUUORDSA-N 1 0 378.420 1.940 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000419045942 531890153 /nfs/dbraw/zinc/89/01/53/531890153.db2.gz USDICIRIVWNFJD-UTLUCORTSA-N 1 0 378.420 1.925 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000419045939 531890238 /nfs/dbraw/zinc/89/02/38/531890238.db2.gz USDICIRIVWNFJD-GUBZILKMSA-N 1 0 378.420 1.925 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC[C@@H](C)[NH+](C)C ZINC000298452648 531890457 /nfs/dbraw/zinc/89/04/57/531890457.db2.gz VGYLRNVEHGRWAG-GDBMZVCRSA-N 1 0 387.571 1.461 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419048924 531891052 /nfs/dbraw/zinc/89/10/52/531891052.db2.gz BUVDMTXQAZYUKJ-OAHLLOKOSA-N 1 0 394.313 1.922 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596050567 531905346 /nfs/dbraw/zinc/90/53/46/531905346.db2.gz LKEGEYJAXSVNOU-ZDUSSCGKSA-N 1 0 377.260 1.266 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419152389 531905568 /nfs/dbraw/zinc/90/55/68/531905568.db2.gz NMOAITOKLRJCCV-LBPRGKRZSA-N 1 0 398.301 1.327 20 0 GDADRO C[C@]1(CNC(=O)C(=O)NCc2cc(F)ccc2Br)CCC[NH2+]C1 ZINC000419160351 531906062 /nfs/dbraw/zinc/90/60/62/531906062.db2.gz PTRJZNSZRNOMOX-INIZCTEOSA-N 1 0 386.265 1.710 20 0 GDADRO COC(=O)[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000596067037 531906559 /nfs/dbraw/zinc/90/65/59/531906559.db2.gz JTCOBMYNTTZSOA-UMSPYCQHSA-N 1 0 376.272 1.764 20 0 GDADRO COCCOC[C@@H](O)C[NH2+]CCc1ccc(I)cc1 ZINC000596064155 531906916 /nfs/dbraw/zinc/90/69/16/531906916.db2.gz BXLZBLWTVPYNBV-AWEZNQCLSA-N 1 0 379.238 1.447 20 0 GDADRO CC(C)[N@H+](C)C[C@H](O)CN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000647956138 531907039 /nfs/dbraw/zinc/90/70/39/531907039.db2.gz DXEAWTDJJDDVOV-HNNXBMFYSA-N 1 0 375.560 1.192 20 0 GDADRO CCCN(C(=O)C(=O)NCc1cccc(C)c1Br)[C@@H]1CC[NH2+]C1 ZINC000419164125 531907329 /nfs/dbraw/zinc/90/73/29/531907329.db2.gz LHHXFLUBBYIOOY-CQSZACIVSA-N 1 0 382.302 1.974 20 0 GDADRO O=C1CCCN1C[C@@H](O)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000674878918 531907660 /nfs/dbraw/zinc/90/76/60/531907660.db2.gz SRZPIHVTHNDYQM-ZBFHGGJFSA-N 1 0 382.302 1.601 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419165637 531908398 /nfs/dbraw/zinc/90/83/98/531908398.db2.gz NLTXUPSXHPGSLH-KRWDZBQOSA-N 1 0 382.302 1.880 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419166810 531908530 /nfs/dbraw/zinc/90/85/30/531908530.db2.gz PRYFUTVERSXFEN-IVMMDQJWSA-N 1 0 394.313 1.878 20 0 GDADRO CCCN(C(=O)C(=O)NCc1cc(Br)ccc1C)[C@H]1CC[NH2+]C1 ZINC000419171360 531908854 /nfs/dbraw/zinc/90/88/54/531908854.db2.gz XMWKDCLCSSCKFK-HNNXBMFYSA-N 1 0 382.302 1.974 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000419170328 531908948 /nfs/dbraw/zinc/90/89/48/531908948.db2.gz HFFZDFUJMSEONV-LLVKDONJSA-N 1 0 388.281 1.609 20 0 GDADRO O=C(NCCCc1ccc(Br)cc1F)C(=O)NCC1=CC[NH2+]CC1 ZINC000419165952 531909177 /nfs/dbraw/zinc/90/91/77/531909177.db2.gz APFSIVTUJUFBAK-UHFFFAOYSA-N 1 0 398.276 1.673 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1ccc(Br)cc1)C1CCCC1 ZINC000419187059 531909752 /nfs/dbraw/zinc/90/97/52/531909752.db2.gz IUIPGJAFPIRMCY-HNNXBMFYSA-N 1 0 382.302 1.742 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419199318 531912182 /nfs/dbraw/zinc/91/21/82/531912182.db2.gz CWLZEPBMKYYNCL-FZMZJTMJSA-N 1 0 398.301 1.708 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419207548 531912979 /nfs/dbraw/zinc/91/29/79/531912979.db2.gz PDMCIPOHLGEZCJ-GWCFXTLKSA-N 1 0 384.274 1.188 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419206583 531913086 /nfs/dbraw/zinc/91/30/86/531913086.db2.gz MZRLPUFNTXNHOF-UHFFFAOYSA-N 1 0 398.301 1.580 20 0 GDADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CC(=O)N(C)CC(F)(F)F)CC1 ZINC000568558205 531913206 /nfs/dbraw/zinc/91/32/06/531913206.db2.gz OUXDJRMUOMHTBG-GFCCVEGCSA-N 1 0 387.468 1.389 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419202769 531913292 /nfs/dbraw/zinc/91/32/92/531913292.db2.gz HADCSCGJVDZFBK-MFKMUULPSA-N 1 0 384.274 1.270 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419201495 531913390 /nfs/dbraw/zinc/91/33/90/531913390.db2.gz FRANGBLEKNXHHU-NSHDSACASA-N 1 0 398.301 1.660 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCc2ccccc2Br)C1 ZINC000419207444 531913628 /nfs/dbraw/zinc/91/36/28/531913628.db2.gz OXGDDWDKOZUNOD-GXTWGEPZSA-N 1 0 382.302 1.694 20 0 GDADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647869475 531899959 /nfs/dbraw/zinc/89/99/59/531899959.db2.gz AKPXVOMMAWPZAX-LBPRGKRZSA-N 1 0 378.325 1.909 20 0 GDADRO O=C(NC1CC[NH+](CCO)CC1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674627827 531900205 /nfs/dbraw/zinc/90/02/05/531900205.db2.gz OAUGGDWYEJQZIP-PHIMTYICSA-N 1 0 377.329 1.825 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CCO1 ZINC000647861681 531900286 /nfs/dbraw/zinc/90/02/86/531900286.db2.gz FAPQZLFDMCCJNB-UFBFGSQYSA-N 1 0 378.217 1.714 20 0 GDADRO O=C(NCCc1ccc(Br)s1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419106637 531900612 /nfs/dbraw/zinc/90/06/12/531900612.db2.gz DBZPKJDLAVAOON-GHMZBOCLSA-N 1 0 386.315 1.237 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1F ZINC000647888807 531900894 /nfs/dbraw/zinc/90/08/94/531900894.db2.gz OLNVXTYTDAAJLU-NHYWBVRUSA-N 1 0 393.506 1.300 20 0 GDADRO Cc1nc(C)c([C@H](C)N(C)C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)s1 ZINC000283839001 531902617 /nfs/dbraw/zinc/90/26/17/531902617.db2.gz ALRYYIQEADVNAT-SJCJKPOMSA-N 1 0 384.571 1.833 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419137786 531903302 /nfs/dbraw/zinc/90/33/02/531903302.db2.gz RCKZYWQQJMONKL-GFCCVEGCSA-N 1 0 388.693 1.929 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)nc3)C2)C1 ZINC000368314799 531903438 /nfs/dbraw/zinc/90/34/38/531903438.db2.gz GZZFSKNERKVBST-CQSZACIVSA-N 1 0 379.404 1.739 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000298603717 531903929 /nfs/dbraw/zinc/90/39/29/531903929.db2.gz YNGUDXQGFQZVNF-ZDUSSCGKSA-N 1 0 375.560 1.546 20 0 GDADRO O=C(NCCCOc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419140282 531904621 /nfs/dbraw/zinc/90/46/21/531904621.db2.gz VOQMVJYDCKPBLE-LBPRGKRZSA-N 1 0 388.295 1.994 20 0 GDADRO CN(C(=O)C(=O)NCCOc1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000419256760 531918182 /nfs/dbraw/zinc/91/81/82/531918182.db2.gz HPFGONIKWPIXQC-AWEZNQCLSA-N 1 0 398.301 1.545 20 0 GDADRO COCC[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000298766447 531918440 /nfs/dbraw/zinc/91/84/40/531918440.db2.gz YBCCRXVEIKZMAS-UHFFFAOYSA-N 1 0 377.894 1.497 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419258182 531919890 /nfs/dbraw/zinc/91/98/90/531919890.db2.gz ZERVLSUBJYHOGS-ZYHUDNBSSA-N 1 0 384.299 1.580 20 0 GDADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419285287 531920981 /nfs/dbraw/zinc/92/09/81/531920981.db2.gz PLTOVWYFPAKQFV-BXUZGUMPSA-N 1 0 388.295 1.617 20 0 GDADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000625975076 531921587 /nfs/dbraw/zinc/92/15/87/531921587.db2.gz RKYJGQWHAVJGCP-DRAKQNMHSA-N 1 0 398.301 1.905 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000419283201 531921655 /nfs/dbraw/zinc/92/16/55/531921655.db2.gz LLRJOORCYAJNPD-UBHSHLNASA-N 1 0 380.286 1.694 20 0 GDADRO CN(C)c1nccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)n1 ZINC000569475502 531922311 /nfs/dbraw/zinc/92/23/11/531922311.db2.gz IXMPVQQHXZQKHM-CQSZACIVSA-N 1 0 381.274 1.835 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419310802 531922867 /nfs/dbraw/zinc/92/28/67/531922867.db2.gz BBJDHNIOYAAXCM-QWRGUYRKSA-N 1 0 380.901 1.804 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419302176 531922873 /nfs/dbraw/zinc/92/28/73/531922873.db2.gz PGRBHGZXYILIQM-KBPBESRZSA-N 1 0 394.313 1.750 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)C(=O)c1ccc(Br)cc1)CCO2 ZINC000649132834 531923548 /nfs/dbraw/zinc/92/35/48/531923548.db2.gz QPJJJIYQHYZZLE-UHFFFAOYSA-N 1 0 381.270 1.955 20 0 GDADRO COC1(C(F)(F)F)CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000419346629 531926706 /nfs/dbraw/zinc/92/67/06/531926706.db2.gz ISRQSWQQZOYORG-UHFFFAOYSA-N 1 0 379.301 1.808 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cc(Br)cs3)[C@H]2C1 ZINC000283971236 531915355 /nfs/dbraw/zinc/91/53/55/531915355.db2.gz OVGMNKLYRBXSFE-MFKMUULPSA-N 1 0 386.315 1.679 20 0 GDADRO O=C(NCCc1ccccc1Br)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419208213 531915492 /nfs/dbraw/zinc/91/54/92/531915492.db2.gz QVLMALZLJSJTDU-UHFFFAOYSA-N 1 0 380.286 1.534 20 0 GDADRO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000283962233 531915504 /nfs/dbraw/zinc/91/55/04/531915504.db2.gz CBIFDWYQBHRVDC-PBHICJAKSA-N 1 0 387.318 1.984 20 0 GDADRO C[C@@H](CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO)n1cc(Br)cn1 ZINC000648833215 531915528 /nfs/dbraw/zinc/91/55/28/531915528.db2.gz BUCBLIWWQMFFBM-ZFWWWQNUSA-N 1 0 387.322 1.950 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419238659 531915911 /nfs/dbraw/zinc/91/59/11/531915911.db2.gz DIPDIXVLKCSXCU-YPMHNXCESA-N 1 0 398.326 1.923 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C[C@H]1[NH3+] ZINC000419244972 531916115 /nfs/dbraw/zinc/91/61/15/531916115.db2.gz KZEQVOFLOIJNAQ-FXAINCCUSA-N 1 0 384.299 1.518 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000648825391 531916206 /nfs/dbraw/zinc/91/62/06/531916206.db2.gz SEEMSQZDFGNOAG-AWEZNQCLSA-N 1 0 384.274 1.064 20 0 GDADRO CC[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)Cc1cccc(Br)c1 ZINC000419366144 531929859 /nfs/dbraw/zinc/92/98/59/531929859.db2.gz SAZSIBUPLVEQDM-KGLIPLIRSA-N 1 0 396.329 1.954 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000419364321 531930102 /nfs/dbraw/zinc/93/01/02/531930102.db2.gz PVZRNIYKIHFCCE-DOMZBBRYSA-N 1 0 382.302 1.612 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419404123 531930845 /nfs/dbraw/zinc/93/08/45/531930845.db2.gz RBNFDIAHBCAZJK-UHFFFAOYSA-N 1 0 377.272 1.517 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCOc3ncc(Cl)cc3Cl)C[C@H]12 ZINC000419407376 531931208 /nfs/dbraw/zinc/93/12/08/531931208.db2.gz WHRZTYSPRBYKSX-XHVZSJERSA-N 1 0 387.267 1.079 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N[C@H]1CCC[NH2+]CC1 ZINC000368703559 531931357 /nfs/dbraw/zinc/93/13/57/531931357.db2.gz IIDSPMXTUNSGCS-LBPRGKRZSA-N 1 0 379.258 1.417 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC000419473564 531935428 /nfs/dbraw/zinc/93/54/28/531935428.db2.gz DQFOAFADWRAJNL-QMTHXVAHSA-N 1 0 388.281 1.735 20 0 GDADRO O=C(c1cc(Br)ccc1O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000456763804 531937108 /nfs/dbraw/zinc/93/71/08/531937108.db2.gz ZYVZYOAAPFPIKK-ZDUSSCGKSA-N 1 0 396.285 1.581 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1Br ZINC000626845547 531937377 /nfs/dbraw/zinc/93/73/77/531937377.db2.gz DXCNTMWKSQGMGY-CYBMUJFWSA-N 1 0 384.274 1.853 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419590593 531938097 /nfs/dbraw/zinc/93/80/97/531938097.db2.gz SDYLOVUPAIAZRI-NHYWBVRUSA-N 1 0 380.286 1.668 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCc3c2cccc3Br)CC[NH2+]1 ZINC000419588262 531938189 /nfs/dbraw/zinc/93/81/89/531938189.db2.gz OPLSBGBRRIIMEW-HFAKWTLXSA-N 1 0 380.286 1.809 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])Cc1cccc(Br)c1 ZINC000419358073 531927963 /nfs/dbraw/zinc/92/79/63/531927963.db2.gz IJTVYRXUUZPGMU-CHWSQXEVSA-N 1 0 384.318 1.988 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419354670 531928060 /nfs/dbraw/zinc/92/80/60/531928060.db2.gz LLNKOKGCXHTJNA-CYBMUJFWSA-N 1 0 384.274 1.332 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419353040 531928459 /nfs/dbraw/zinc/92/84/59/531928459.db2.gz JFAHYFWGZCMTJQ-UHFFFAOYSA-N 1 0 396.285 1.500 20 0 GDADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2c(Br)cnn2C)cn1 ZINC000684399296 531940743 /nfs/dbraw/zinc/94/07/43/531940743.db2.gz BMRLSFXLEORUGN-STQMWFEESA-N 1 0 385.285 1.618 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)Oc1cccc(Br)c1 ZINC000419612704 531941323 /nfs/dbraw/zinc/94/13/23/531941323.db2.gz MNWDIGFNGHULLV-PXAZEXFGSA-N 1 0 398.301 1.530 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)Oc1ccccc1Br ZINC000419613739 531941692 /nfs/dbraw/zinc/94/16/92/531941692.db2.gz NWDGGTZZBKZZIG-RYUDHWBXSA-N 1 0 384.274 1.282 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419620105 531942306 /nfs/dbraw/zinc/94/23/06/531942306.db2.gz DQIDEVZSAANGQD-UGFHNGPFSA-N 1 0 398.301 1.510 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000419619950 531942633 /nfs/dbraw/zinc/94/26/33/531942633.db2.gz QHWNGTCHKOQUDH-OCCSQVGLSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C[NH2+]1 ZINC000627029457 531943685 /nfs/dbraw/zinc/94/36/85/531943685.db2.gz SWUZPVXEVHRTEL-PWSUYJOCSA-N 1 0 392.884 1.197 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000419621119 531943942 /nfs/dbraw/zinc/94/39/42/531943942.db2.gz RGPAXIXWYRLFJB-GFCCVEGCSA-N 1 0 398.301 1.543 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)Oc2cccc(Br)c2)C1 ZINC000419622344 531944039 /nfs/dbraw/zinc/94/40/39/531944039.db2.gz SSFAAQBZANJKBW-AAEUAGOBSA-N 1 0 384.274 1.153 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000419621595 531944073 /nfs/dbraw/zinc/94/40/73/531944073.db2.gz RXGKVMFPGDINSO-CHWSQXEVSA-N 1 0 398.301 1.401 20 0 GDADRO CS[C@@H]1CN(C(=O)c2sccc2S(N)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000597507710 531944230 /nfs/dbraw/zinc/94/42/30/531944230.db2.gz SBSRFEGVTWJSTD-GHMZBOCLSA-N 1 0 375.541 1.047 20 0 GDADRO CN(CC(=O)NCC[N@@H+]1CCCC1(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000457077352 531944772 /nfs/dbraw/zinc/94/47/72/531944772.db2.gz PJSRDJZFIZARFT-UHFFFAOYSA-N 1 0 387.933 1.951 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)NCC(F)(F)c1ccc(Br)cc1 ZINC000627119620 531945059 /nfs/dbraw/zinc/94/50/59/531945059.db2.gz SBXYWQSAYKJWEA-GFCCVEGCSA-N 1 0 378.217 1.829 20 0 GDADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419626992 531945636 /nfs/dbraw/zinc/94/56/36/531945636.db2.gz KLRVNBMGFPUFSS-SWLSCSKDSA-N 1 0 398.301 1.463 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)N(CCO)Cc1cc(Br)ccc1F ZINC000627186179 531946410 /nfs/dbraw/zinc/94/64/10/531946410.db2.gz RHQKYYFVLDEDRG-ZDUSSCGKSA-N 1 0 390.253 1.081 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000419628383 531946751 /nfs/dbraw/zinc/94/67/51/531946751.db2.gz ZGMJQNFWEZPKEL-RYUDHWBXSA-N 1 0 384.274 1.201 20 0 GDADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)NC[C@H]1COCC[NH2+]1 ZINC000627184909 531946858 /nfs/dbraw/zinc/94/68/58/531946858.db2.gz DMNHKFCLBPRRQX-QWRGUYRKSA-N 1 0 378.256 1.021 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2F)C[C@H]1C[NH3+] ZINC000652379352 531946872 /nfs/dbraw/zinc/94/68/72/531946872.db2.gz AINQRDUTGFRMMD-BXKDBHETSA-N 1 0 381.267 1.573 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(I)c[nH]1 ZINC000571059997 531946970 /nfs/dbraw/zinc/94/69/70/531946970.db2.gz YKABOJKOYRWANO-LLVKDONJSA-N 1 0 379.242 1.442 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000419637496 531947045 /nfs/dbraw/zinc/94/70/45/531947045.db2.gz FLYQXBRNKQZQOW-UONOGXRCSA-N 1 0 395.301 1.094 20 0 GDADRO CC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)c1nc(C(F)(F)F)cs1 ZINC000627314338 531950034 /nfs/dbraw/zinc/95/00/34/531950034.db2.gz ACTXFGALXJFWBT-AEJSXWLSSA-N 1 0 378.420 1.986 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419671498 531950603 /nfs/dbraw/zinc/95/06/03/531950603.db2.gz GCILBSIWVNOIRI-UHFFFAOYSA-N 1 0 396.285 1.259 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc2cc(I)ccc2n1 ZINC000597653169 531950651 /nfs/dbraw/zinc/95/06/51/531950651.db2.gz HQVWJCOEWZTLQL-GFCCVEGCSA-N 1 0 399.232 1.492 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000627393608 531951197 /nfs/dbraw/zinc/95/11/97/531951197.db2.gz FMJHAMTXCZBSMY-VHRBIJSZSA-N 1 0 385.295 1.555 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(Br)cc3c2OCC3)[C@@H](C)C[NH2+]1 ZINC000419672415 531951320 /nfs/dbraw/zinc/95/13/20/531951320.db2.gz HOLMKQNTAHKEEI-QWRGUYRKSA-N 1 0 396.285 1.209 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000627393609 531951437 /nfs/dbraw/zinc/95/14/37/531951437.db2.gz FMJHAMTXCZBSMY-ZKYQVNSYSA-N 1 0 385.295 1.555 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000627395791 531951492 /nfs/dbraw/zinc/95/14/92/531951492.db2.gz VWKHBKJZBDZLRX-AAEUAGOBSA-N 1 0 377.794 1.942 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419594345 531940018 /nfs/dbraw/zinc/94/00/18/531940018.db2.gz ZEUKYKLFOGRLHF-XHDPSFHLSA-N 1 0 380.286 1.668 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000626873049 531940093 /nfs/dbraw/zinc/94/00/93/531940093.db2.gz QBFNWEAILVRNHV-UHFFFAOYSA-N 1 0 388.262 1.091 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419594344 531940101 /nfs/dbraw/zinc/94/01/01/531940101.db2.gz ZEUKYKLFOGRLHF-NHYWBVRUSA-N 1 0 380.286 1.668 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369300707 531956921 /nfs/dbraw/zinc/95/69/21/531956921.db2.gz ZDEIBRYPVPOESO-QWHCGFSZSA-N 1 0 383.290 1.503 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)s1 ZINC000284421469 531958058 /nfs/dbraw/zinc/95/80/58/531958058.db2.gz XXCPQSOOQTYEOJ-UHFFFAOYSA-N 1 0 385.559 1.647 20 0 GDADRO CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH]cn1 ZINC000572015316 531958178 /nfs/dbraw/zinc/95/81/78/531958178.db2.gz KVQAHYZRERVGPR-ZDUSSCGKSA-N 1 0 392.547 1.772 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1cc(Br)cs1 ZINC000419717861 531961368 /nfs/dbraw/zinc/96/13/68/531961368.db2.gz CFCOWFWTJNASBU-LBPRGKRZSA-N 1 0 376.320 1.959 20 0 GDADRO O=C(c1cc(Br)c[nH]c1=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627742704 531961803 /nfs/dbraw/zinc/96/18/03/531961803.db2.gz IWHJKALZZJUDTF-UHFFFAOYSA-N 1 0 384.274 1.877 20 0 GDADRO COC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCCO1 ZINC000419729142 531963415 /nfs/dbraw/zinc/96/34/15/531963415.db2.gz NVTVKYYXOIIAQK-STQMWFEESA-N 1 0 393.303 1.380 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000419675800 531952073 /nfs/dbraw/zinc/95/20/73/531952073.db2.gz LQHJHXIOVVBNDB-NSHDSACASA-N 1 0 393.285 1.615 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000627455663 531952504 /nfs/dbraw/zinc/95/25/04/531952504.db2.gz FMXKXOOGARZNEX-GWCFXTLKSA-N 1 0 399.289 1.197 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000627457766 531952956 /nfs/dbraw/zinc/95/29/56/531952956.db2.gz JCTBCVKRBCBYPN-LSDHHAIUSA-N 1 0 382.302 1.973 20 0 GDADRO CN(CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)S(C)(=O)=O ZINC000597661025 531953349 /nfs/dbraw/zinc/95/33/49/531953349.db2.gz MCHZFCXZORIFKS-INIZCTEOSA-N 1 0 387.933 1.702 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)C[NH2+]1 ZINC000627477139 531953861 /nfs/dbraw/zinc/95/38/61/531953861.db2.gz RIWRGBWIKFLYEE-XHDPSFHLSA-N 1 0 380.286 1.591 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000419681949 531954436 /nfs/dbraw/zinc/95/44/36/531954436.db2.gz VHYNVDFNRLEXLC-LBPRGKRZSA-N 1 0 379.258 1.496 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccsc1 ZINC000299073436 531954836 /nfs/dbraw/zinc/95/48/36/531954836.db2.gz UXEVUSQZCSXGKQ-ZFWWWQNUSA-N 1 0 388.559 1.322 20 0 GDADRO C[NH+](C)[C@]1(CNS(=O)(=O)CCC(=O)OCc2ccccc2)CCSC1 ZINC000271011382 531955038 /nfs/dbraw/zinc/95/50/38/531955038.db2.gz DGMCDJCDIXOQPK-KRWDZBQOSA-N 1 0 386.539 1.477 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419747171 531964943 /nfs/dbraw/zinc/96/49/43/531964943.db2.gz MSIBGODKPGVZSD-OAHLLOKOSA-N 1 0 382.302 1.694 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000419857302 531979093 /nfs/dbraw/zinc/97/90/93/531979093.db2.gz JXNSJLPSEYFJDG-LBPRGKRZSA-N 1 0 398.301 1.532 20 0 GDADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000419754050 531965435 /nfs/dbraw/zinc/96/54/35/531965435.db2.gz OQSLYZNYJUFEDB-SNPRPXQTSA-N 1 0 388.295 1.222 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000419763033 531966585 /nfs/dbraw/zinc/96/65/85/531966585.db2.gz TXLMUQQODDQJPT-ZDUSSCGKSA-N 1 0 385.295 1.638 20 0 GDADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000271106248 531968017 /nfs/dbraw/zinc/96/80/17/531968017.db2.gz OTSROKKWJHKFNW-QWHCGFSZSA-N 1 0 392.930 1.793 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419784177 531968873 /nfs/dbraw/zinc/96/88/73/531968873.db2.gz ULYIEFXLVZEZEO-COPLHBTASA-N 1 0 398.301 1.831 20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000655539866 531969681 /nfs/dbraw/zinc/96/96/81/531969681.db2.gz UZPMDVIBUXRJHY-DOMZBBRYSA-N 1 0 391.331 1.896 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCNS(C)(=O)=O)cc1 ZINC000299238914 531970654 /nfs/dbraw/zinc/97/06/54/531970654.db2.gz UIZKZVJSQKJDJG-CQSZACIVSA-N 1 0 391.559 1.307 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)C1CC1 ZINC000419858834 531978994 /nfs/dbraw/zinc/97/89/94/531978994.db2.gz IOTKTUUQJZMOSV-AWEZNQCLSA-N 1 0 385.295 1.496 20 0 GDADRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000419811931 531972413 /nfs/dbraw/zinc/97/24/13/531972413.db2.gz HRUFJGXWHOLEDK-DOTOQJQBSA-N 1 0 387.318 1.897 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000284590342 531972944 /nfs/dbraw/zinc/97/29/44/531972944.db2.gz WZYXKPXVSZERQQ-UHFFFAOYSA-N 1 0 399.333 1.737 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419818999 531973525 /nfs/dbraw/zinc/97/35/25/531973525.db2.gz LPINCFRUFBWXNZ-XUJVJEKNSA-N 1 0 382.302 1.753 20 0 GDADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C(=O)NCCCC[NH3+] ZINC000419835154 531974908 /nfs/dbraw/zinc/97/49/08/531974908.db2.gz VAZVZGCNFZKDFD-AWEZNQCLSA-N 1 0 398.301 1.976 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000419828771 531975018 /nfs/dbraw/zinc/97/50/18/531975018.db2.gz HQZUAYCAFOBUPA-UHFFFAOYSA-N 1 0 398.301 1.674 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419833978 531975098 /nfs/dbraw/zinc/97/50/98/531975098.db2.gz ZVLFAVLUOBRGRX-AWEZNQCLSA-N 1 0 384.318 1.942 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419834586 531975253 /nfs/dbraw/zinc/97/52/53/531975253.db2.gz XGSMZBZDENXXHT-LNSITVRQSA-N 1 0 380.286 1.317 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419827886 531975407 /nfs/dbraw/zinc/97/54/07/531975407.db2.gz FVFIOLTZPJHARG-CYBMUJFWSA-N 1 0 382.302 1.968 20 0 GDADRO Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)NCC[NH3+])c(Br)c1 ZINC000419841484 531976361 /nfs/dbraw/zinc/97/63/61/531976361.db2.gz URRRBQHUCSYJFR-UHFFFAOYSA-N 1 0 394.269 1.954 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000419840962 531976787 /nfs/dbraw/zinc/97/67/87/531976787.db2.gz FHAJNBXJVFECGW-CYBMUJFWSA-N 1 0 384.274 1.457 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419842382 531977245 /nfs/dbraw/zinc/97/72/45/531977245.db2.gz LKGTYFJGZQFATK-AAEUAGOBSA-N 1 0 386.279 1.841 20 0 GDADRO O=C(NCCc1ccc(I)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000598392769 531979071 /nfs/dbraw/zinc/97/90/71/531979071.db2.gz IXIPBCXDDHVCAJ-OAHLLOKOSA-N 1 0 399.276 1.340 20 0 GDADRO CN(CC(=O)NC[C@@H]1CCCC[N@H+](C)C1)C(=O)c1ccc(Br)o1 ZINC000628744593 531978119 /nfs/dbraw/zinc/97/81/19/531978119.db2.gz HFLNEOROQDTLJG-LBPRGKRZSA-N 1 0 386.290 1.962 20 0 GDADRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)[C@@H](C)C[NH2+]1 ZINC000572347038 531964520 /nfs/dbraw/zinc/96/45/20/531964520.db2.gz PPFCRGMJBAIYLP-UWVGGRQHSA-N 1 0 380.923 1.072 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000284797418 531992916 /nfs/dbraw/zinc/99/29/16/531992916.db2.gz KSOQILBGBBOQBI-UHFFFAOYSA-N 1 0 378.420 1.767 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000419979725 531992997 /nfs/dbraw/zinc/99/29/97/531992997.db2.gz QAOONZHTIHAIMT-NEPJUHHUSA-N 1 0 382.302 1.867 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860210 531979442 /nfs/dbraw/zinc/97/94/42/531979442.db2.gz KQKOFTFYMMUSOJ-MEBBXXQBSA-N 1 0 380.286 1.576 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(Br)o2)CC1 ZINC000284677647 531980347 /nfs/dbraw/zinc/98/03/47/531980347.db2.gz DJSGQDJAUSTWMD-UHFFFAOYSA-N 1 0 386.290 1.990 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000419892833 531982365 /nfs/dbraw/zinc/98/23/65/531982365.db2.gz VBELUUZRUVYYJT-SECBINFHSA-N 1 0 386.677 1.465 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419892636 531982610 /nfs/dbraw/zinc/98/26/10/531982610.db2.gz JMUNALGKXMNIGF-OLZOCXBDSA-N 1 0 398.301 1.802 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419898019 531983486 /nfs/dbraw/zinc/98/34/86/531983486.db2.gz ZEVLUTGCRYLAAJ-HNNXBMFYSA-N 1 0 380.286 1.666 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000419899874 531983613 /nfs/dbraw/zinc/98/36/13/531983613.db2.gz ZPLWGKKBVHDBQM-UHFFFAOYSA-N 1 0 398.301 1.545 20 0 GDADRO O=S(=O)(NCCNC[C@@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000629581331 531983957 /nfs/dbraw/zinc/98/39/57/531983957.db2.gz WJNALPXYIHMMHM-GFCCVEGCSA-N 1 0 396.340 1.318 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419917880 531984680 /nfs/dbraw/zinc/98/46/80/531984680.db2.gz CBJDXBHMLXRIOK-UHFFFAOYSA-N 1 0 384.274 1.012 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419909746 531984932 /nfs/dbraw/zinc/98/49/32/531984932.db2.gz GOEVUNUGVRCQFR-CQSZACIVSA-N 1 0 382.302 1.566 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419916276 531985093 /nfs/dbraw/zinc/98/50/93/531985093.db2.gz FDJVERCJLSPMBY-NWDGAFQWSA-N 1 0 380.286 1.621 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419908141 531985386 /nfs/dbraw/zinc/98/53/86/531985386.db2.gz DHUOJAOOXSBLSL-LLVKDONJSA-N 1 0 386.265 1.662 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000573549805 531985955 /nfs/dbraw/zinc/98/59/55/531985955.db2.gz FYGNNCZIEVFNQA-UHFFFAOYSA-N 1 0 386.539 1.384 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000419926433 531986146 /nfs/dbraw/zinc/98/61/46/531986146.db2.gz BKBMDWSHDQTMJI-LLVKDONJSA-N 1 0 384.274 1.142 20 0 GDADRO CC1(c2cccc(Br)c2)CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419929188 531986315 /nfs/dbraw/zinc/98/63/15/531986315.db2.gz VGRXFBVMZSBWEP-UHFFFAOYSA-N 1 0 394.313 1.665 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NC(C)(C)C[NH+](C)C)c(C)s1 ZINC000458587881 531987811 /nfs/dbraw/zinc/98/78/11/531987811.db2.gz WAFQXBMWDSLUET-UHFFFAOYSA-N 1 0 376.548 1.283 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000419930215 531987962 /nfs/dbraw/zinc/98/79/62/531987962.db2.gz ALZMVLOKAXEYKK-HIFRSBDPSA-N 1 0 395.301 1.766 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000598615775 531988265 /nfs/dbraw/zinc/98/82/65/531988265.db2.gz DVBJOTIICJWZJX-CQSZACIVSA-N 1 0 393.303 1.366 20 0 GDADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC(F)F)c(F)c1 ZINC000370500736 531989226 /nfs/dbraw/zinc/98/92/26/531989226.db2.gz SBSOZLPYNYWQRQ-WDEREUQCSA-N 1 0 380.388 1.569 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419943215 531990057 /nfs/dbraw/zinc/99/00/57/531990057.db2.gz IEFYRCMEYMDJJV-HNNXBMFYSA-N 1 0 382.302 1.974 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000419945903 531990203 /nfs/dbraw/zinc/99/02/03/531990203.db2.gz DFYBILZVZWKXCJ-LBPRGKRZSA-N 1 0 382.302 1.650 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000419955930 531990243 /nfs/dbraw/zinc/99/02/43/531990243.db2.gz NSYDMQIKIVLIIU-LLVKDONJSA-N 1 0 376.284 1.415 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000574097850 531994821 /nfs/dbraw/zinc/99/48/21/531994821.db2.gz GAPWYNMITMDXMI-VXGBXAGGSA-N 1 0 391.896 1.746 20 0 GDADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000419961367 531991187 /nfs/dbraw/zinc/99/11/87/531991187.db2.gz YRWOYBIPUHQURG-ZFWWWQNUSA-N 1 0 395.301 1.766 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000573885871 531991401 /nfs/dbraw/zinc/99/14/01/531991401.db2.gz VNFKMRFADGHKHX-GFCCVEGCSA-N 1 0 399.340 1.994 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000420016008 531996439 /nfs/dbraw/zinc/99/64/39/531996439.db2.gz MHNYLCWDNWMECX-JOYOIKCWSA-N 1 0 386.315 1.908 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420005049 531996491 /nfs/dbraw/zinc/99/64/91/531996491.db2.gz ZZCMREDVWZVTIG-NSHDSACASA-N 1 0 399.289 1.056 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420016851 531996556 /nfs/dbraw/zinc/99/65/56/531996556.db2.gz NNOKVBVZDGUMTR-NXEZZACHSA-N 1 0 378.420 1.754 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000420024757 531996930 /nfs/dbraw/zinc/99/69/30/531996930.db2.gz ZDOUDMGJDGXWJO-AWEZNQCLSA-N 1 0 386.290 1.386 20 0 GDADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420034204 531997939 /nfs/dbraw/zinc/99/79/39/531997939.db2.gz XJDHDDFCTNORCU-GWCFXTLKSA-N 1 0 384.274 1.585 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000420045505 531999191 /nfs/dbraw/zinc/99/91/91/531999191.db2.gz UTMZHDQCFVIWLN-SMDDNHRTSA-N 1 0 398.301 1.637 20 0 GDADRO O=S(=O)(C[C@H]1CCCCC1(F)F)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000574876658 531999766 /nfs/dbraw/zinc/99/97/66/531999766.db2.gz DPLSTSWTFXOEQM-NEPJUHHUSA-N 1 0 393.422 1.567 20 0 GDADRO O=C(CCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)NC1CC1 ZINC000574869217 531999893 /nfs/dbraw/zinc/99/98/93/531999893.db2.gz QNGOYESIHLHVLJ-CQSZACIVSA-N 1 0 389.265 1.976 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420039627 531999912 /nfs/dbraw/zinc/99/99/12/531999912.db2.gz LJGKGTPXSVEYPV-IINYFYTJSA-N 1 0 386.265 1.790 20 0 GDADRO Cc1nc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)sc1Br ZINC000458928732 532000500 /nfs/dbraw/zinc/00/05/00/532000500.db2.gz NGNGOQDGQSXIAT-UWVGGRQHSA-N 1 0 391.335 1.811 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000420099075 532000778 /nfs/dbraw/zinc/00/07/78/532000778.db2.gz BFKPNDABFMKWHE-LLVKDONJSA-N 1 0 376.284 1.429 20 0 GDADRO Cc1nc(CNC(=O)NCC2(O)CC[NH+](C)CC2)sc1Br ZINC000458932675 532001035 /nfs/dbraw/zinc/00/10/35/532001035.db2.gz RBSKYGWSHGFDDI-UHFFFAOYSA-N 1 0 377.308 1.470 20 0 GDADRO COCn1nccc1S(=O)(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000574892069 532001059 /nfs/dbraw/zinc/00/10/59/532001059.db2.gz AFLAEWHDNCQTRP-HOCLYGCPSA-N 1 0 384.889 1.864 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000420126781 532003687 /nfs/dbraw/zinc/00/36/87/532003687.db2.gz UQKYQMUZZZOGFR-WFASDCNBSA-N 1 0 382.302 1.564 20 0 GDADRO C[NH+](C)CCCCC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000574928727 532003707 /nfs/dbraw/zinc/00/37/07/532003707.db2.gz MTSMRVWJOBXWIM-UHFFFAOYSA-N 1 0 379.885 1.606 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420127364 532004545 /nfs/dbraw/zinc/00/45/45/532004545.db2.gz PARRZBPGDLXIKP-IUODEOHRSA-N 1 0 382.302 1.912 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000420127237 532004557 /nfs/dbraw/zinc/00/45/57/532004557.db2.gz OSYIUPUBHNUTDF-YPMHNXCESA-N 1 0 398.301 1.673 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)c1F ZINC000599097004 532004624 /nfs/dbraw/zinc/00/46/24/532004624.db2.gz AIHNGAXKVFKMIU-MGPLVRAMSA-N 1 0 376.425 1.937 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000420124192 532004693 /nfs/dbraw/zinc/00/46/93/532004693.db2.gz MQEPOPDRHXDYSG-PWSUYJOCSA-N 1 0 386.265 1.803 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)N2CCc3c(Br)cccc3C2)CCC[NH2+]C1 ZINC000420105930 532003124 /nfs/dbraw/zinc/00/31/24/532003124.db2.gz QZXWUCZVAWKWCC-GOSISDBHSA-N 1 0 394.313 1.840 20 0 GDADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000657368526 532005510 /nfs/dbraw/zinc/00/55/10/532005510.db2.gz YAMYSDDPKPEROX-OAHLLOKOSA-N 1 0 397.317 1.175 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1cccc(Br)n1 ZINC000284907314 532005527 /nfs/dbraw/zinc/00/55/27/532005527.db2.gz XELWUNOAEDWMDL-LBPRGKRZSA-N 1 0 399.289 1.136 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000420135733 532006121 /nfs/dbraw/zinc/00/61/21/532006121.db2.gz VOHAKXIYACAMOK-ABAIWWIYSA-N 1 0 398.301 1.530 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c1OC ZINC000599106064 532006530 /nfs/dbraw/zinc/00/65/30/532006530.db2.gz UQMXXJYMKMWMIU-ZDUSSCGKSA-N 1 0 388.873 1.698 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)c1OC ZINC000599098763 532005294 /nfs/dbraw/zinc/00/52/94/532005294.db2.gz AIVDAIAAJCMQDN-CYBMUJFWSA-N 1 0 390.889 1.754 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000420176441 532007027 /nfs/dbraw/zinc/00/70/27/532007027.db2.gz ZSFGVTPCOVMJTP-FZMZJTMJSA-N 1 0 398.301 1.673 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420200589 532008943 /nfs/dbraw/zinc/00/89/43/532008943.db2.gz MXLASWKKZARINM-HSMVNMDESA-N 1 0 394.313 1.966 20 0 GDADRO O=C(CC[NH2+][C@H](CO)CN1CCOCC1)Nc1cccc(Br)c1 ZINC000575312470 532011363 /nfs/dbraw/zinc/01/13/63/532011363.db2.gz SSJPFSKNRLOTRR-HNNXBMFYSA-N 1 0 386.290 1.060 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C1 ZINC000632047315 532010686 /nfs/dbraw/zinc/01/06/86/532010686.db2.gz HUYYYIFWNSTAPO-ZDUSSCGKSA-N 1 0 383.539 1.952 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)F)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000632161052 532013224 /nfs/dbraw/zinc/01/32/24/532013224.db2.gz QIOPMQFUIGRMHS-QWHCGFSZSA-N 1 0 377.457 1.864 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1Br ZINC000420421692 532012142 /nfs/dbraw/zinc/01/21/42/532012142.db2.gz FTIHOPVFSVCLAU-CABZTGNLSA-N 1 0 390.303 1.826 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C)N2CCc3sccc3C2)on1 ZINC000599214222 532012395 /nfs/dbraw/zinc/01/23/95/532012395.db2.gz WLQLTUOQKNRGPP-JTQLQIEISA-N 1 0 385.467 1.248 20 0 GDADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000657596706 532012620 /nfs/dbraw/zinc/01/26/20/532012620.db2.gz ISHANJFRVBOYKS-INIZCTEOSA-N 1 0 377.890 1.391 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1OC ZINC000420449255 532014860 /nfs/dbraw/zinc/01/48/60/532014860.db2.gz NLICNXAHCOMJSX-LLVKDONJSA-N 1 0 376.862 1.556 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c(Br)c1 ZINC000420452063 532015156 /nfs/dbraw/zinc/01/51/56/532015156.db2.gz SADOWJVHBGASLK-GFCCVEGCSA-N 1 0 393.303 1.887 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc3c(cc2Br)OCCO3)C1 ZINC000420454123 532015202 /nfs/dbraw/zinc/01/52/02/532015202.db2.gz VVKQCECCMRYKIS-NXEZZACHSA-N 1 0 391.287 1.626 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccsc1 ZINC000575926837 532017289 /nfs/dbraw/zinc/01/72/89/532017289.db2.gz KSJQNZLNPXVUMW-HUUCEWRRSA-N 1 0 388.559 1.464 20 0 GDADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000657863446 532015810 /nfs/dbraw/zinc/01/58/10/532015810.db2.gz IZAUOPGZZBRWGU-UHFFFAOYSA-N 1 0 390.253 1.530 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c1OC ZINC000420463967 532019272 /nfs/dbraw/zinc/01/92/72/532019272.db2.gz OLSIPSZWBOJAKU-ZDUSSCGKSA-N 1 0 389.905 1.375 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000420465460 532019550 /nfs/dbraw/zinc/01/95/50/532019550.db2.gz QHPQDDAFDZCXNF-GFCCVEGCSA-N 1 0 381.420 1.630 20 0 GDADRO Cc1nc(CC2CC2)sc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000576270971 532019635 /nfs/dbraw/zinc/01/96/35/532019635.db2.gz NUEGRHGEZGRDCK-LBPRGKRZSA-N 1 0 376.448 1.970 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420462275 532019683 /nfs/dbraw/zinc/01/96/83/532019683.db2.gz VBONVLVCXUJWDG-AWEZNQCLSA-N 1 0 392.905 1.412 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000420482110 532021387 /nfs/dbraw/zinc/02/13/87/532021387.db2.gz SJNBMTDAYQHHIY-RYUDHWBXSA-N 1 0 393.506 1.193 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2nc(-c3cccs3)c[nH]2)CC1 ZINC000632290423 532022032 /nfs/dbraw/zinc/02/20/32/532022032.db2.gz MRDUDPPYBYWJJF-UHFFFAOYSA-N 1 0 383.543 1.195 20 0 GDADRO O=C(NCc1cccc(Br)c1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576493643 532023512 /nfs/dbraw/zinc/02/35/12/532023512.db2.gz ZWQUXLDCYMYMLL-QGZVFWFLSA-N 1 0 380.286 1.667 20 0 GDADRO Cc1cc(I)ccc1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000576518009 532023955 /nfs/dbraw/zinc/02/39/55/532023955.db2.gz SNEUPLQIWCISLD-LBPRGKRZSA-N 1 0 387.221 1.406 20 0 GDADRO CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+]C1(CO)CCSCC1 ZINC000459714040 532025750 /nfs/dbraw/zinc/02/57/50/532025750.db2.gz PDCGDGTVAWWVSO-UHFFFAOYSA-N 1 0 385.555 1.061 20 0 GDADRO O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(I)cc1 ZINC000576704466 532027316 /nfs/dbraw/zinc/02/73/16/532027316.db2.gz SJULGUYYHYRWQD-NWDGAFQWSA-N 1 0 385.249 1.771 20 0 GDADRO COCCNC(=O)C1(NCc2cnc3c(C)cc(Br)cn23)CC1 ZINC000459765581 532027978 /nfs/dbraw/zinc/02/79/78/532027978.db2.gz ZLWMJZYDTHUAPF-UHFFFAOYSA-N 1 0 381.274 1.790 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576849127 532029290 /nfs/dbraw/zinc/02/92/90/532029290.db2.gz LOTVCJFJCGKECO-WCQYABFASA-N 1 0 387.297 1.804 20 0 GDADRO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CSCCS2)[NH+](C)C)cc1 ZINC000285099506 532031182 /nfs/dbraw/zinc/03/11/82/532031182.db2.gz NBPGAUPNPPZIDM-CVEARBPZSA-N 1 0 381.567 1.679 20 0 GDADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCSC[C@H]2c2nccs2)CC1 ZINC000577397542 532035343 /nfs/dbraw/zinc/03/53/43/532035343.db2.gz WSQPFBMHFKTCGE-AWEZNQCLSA-N 1 0 382.555 1.608 20 0 GDADRO C[C@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000301393816 532033248 /nfs/dbraw/zinc/03/32/48/532033248.db2.gz CRZBYWBGKZIYOS-LLVKDONJSA-N 1 0 380.436 1.401 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)ccc1Br ZINC000271672359 532038581 /nfs/dbraw/zinc/03/85/81/532038581.db2.gz NULRFUFMZILFMF-JTQLQIEISA-N 1 0 398.257 1.242 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)Oc1ccccc1Br ZINC000285167007 532040741 /nfs/dbraw/zinc/04/07/41/532040741.db2.gz ZTTYLYWITZMXEK-LBPRGKRZSA-N 1 0 398.301 1.543 20 0 GDADRO COCCCS(=O)(=O)NCCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000372703176 532041133 /nfs/dbraw/zinc/04/11/33/532041133.db2.gz ONBRWAYZWOCVCT-UHFFFAOYSA-N 1 0 375.579 1.530 20 0 GDADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)N[C@@H]1CCC[NH2+]C1 ZINC000577942481 532043254 /nfs/dbraw/zinc/04/32/54/532043254.db2.gz IIQKRUCWEPZDQM-OCCSQVGLSA-N 1 0 381.274 1.606 20 0 GDADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000460674764 532045976 /nfs/dbraw/zinc/04/59/76/532045976.db2.gz XADLZLWUNCFTDE-AWEZNQCLSA-N 1 0 376.567 1.607 20 0 GDADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(CC(F)(F)F)cc1 ZINC000372777470 532043833 /nfs/dbraw/zinc/04/38/33/532043833.db2.gz VIKLGNQFGJRLAQ-ZIAGYGMSSA-N 1 0 378.416 1.933 20 0 GDADRO C[C@@H]([NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C1CC1 ZINC000271707772 532044355 /nfs/dbraw/zinc/04/43/55/532044355.db2.gz MJPXIJHMOCXSAK-GFCCVEGCSA-N 1 0 376.500 1.179 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000633149940 532046088 /nfs/dbraw/zinc/04/60/88/532046088.db2.gz XRMLBMARVCYOBI-JQWIXIFHSA-N 1 0 384.274 1.364 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000578442858 532050989 /nfs/dbraw/zinc/05/09/89/532050989.db2.gz KMFGSPFHPSEGKT-NXEZZACHSA-N 1 0 389.237 1.780 20 0 GDADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372935320 532053888 /nfs/dbraw/zinc/05/38/88/532053888.db2.gz RBBLEUQEZWPKLR-WBVHZDCISA-N 1 0 396.329 1.106 20 0 GDADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)[C@H](C(F)(F)F)C1 ZINC000578559989 532052144 /nfs/dbraw/zinc/05/21/44/532052144.db2.gz MMDODJYYZDRSMT-VXGBXAGGSA-N 1 0 384.464 1.931 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCc2c1cccc2Br)C1CC1 ZINC000421213109 532053368 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CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000400199615 532304204 /nfs/dbraw/zinc/30/42/04/532304204.db2.gz DFIJUXGOQWPWHT-HZPDHXFCSA-N 1 0 376.906 1.231 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Br)cn1 ZINC000288714354 532304575 /nfs/dbraw/zinc/30/45/75/532304575.db2.gz XSORFECOVBCWNN-PGUXBMHVSA-N 1 0 395.301 1.620 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000288847210 532309594 /nfs/dbraw/zinc/30/95/94/532309594.db2.gz WMVHFJFXYRYMRQ-WFASDCNBSA-N 1 0 398.301 1.672 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000275809025 532310500 /nfs/dbraw/zinc/31/05/00/532310500.db2.gz QJQVBEHTXHLCCI-KBPBESRZSA-N 1 0 389.543 1.088 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2nnc(SC)s2)CC1=O ZINC000275921558 532314944 /nfs/dbraw/zinc/31/49/44/532314944.db2.gz UPOAXTKATACQNK-NWDGAFQWSA-N 1 0 383.543 1.209 20 0 GDADRO O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000289202956 532318064 /nfs/dbraw/zinc/31/80/64/532318064.db2.gz JVARFBXNHQPKGN-INIZCTEOSA-N 1 0 378.314 1.987 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CCC[NH+](C)C)cc1 ZINC000289282824 532320779 /nfs/dbraw/zinc/32/07/79/532320779.db2.gz XMDQKDKLLLTZDJ-UHFFFAOYSA-N 1 0 376.544 1.833 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cnc(C3OCCO3)s2)cc1 ZINC000289307253 532320967 /nfs/dbraw/zinc/32/09/67/532320967.db2.gz RSOKVNPTAKUKGJ-UHFFFAOYSA-N 1 0 383.495 1.565 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cnc1Br ZINC000276175733 532321555 /nfs/dbraw/zinc/32/15/55/532321555.db2.gz STGGDURJXGASRO-LLVKDONJSA-N 1 0 381.274 1.858 20 0 GDADRO C[N@H+](C[C@@H](O)CN1CCNC(=O)[C@H]1c1cccc(Br)c1)C1CC1 ZINC000289358499 532322502 /nfs/dbraw/zinc/32/25/02/532322502.db2.gz MLFIPBGBPHGTAX-HZPDHXFCSA-N 1 0 382.302 1.377 20 0 GDADRO CCOc1cc(C[NH2+]CCS(=O)(=O)N(C)C)cc(Br)c1OC ZINC000289717742 532331278 /nfs/dbraw/zinc/33/12/78/532331278.db2.gz UPVUFUGENMLPTG-UHFFFAOYSA-N 1 0 395.319 1.837 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000289758302 532331798 /nfs/dbraw/zinc/33/17/98/532331798.db2.gz ISZQXVSDIVSIEV-UHFFFAOYSA-N 1 0 385.917 1.609 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N[C@H](C)C[S@](C)=O ZINC000289762060 532331918 /nfs/dbraw/zinc/33/19/18/532331918.db2.gz PJWKAURRYMTFCP-PWECECGKSA-N 1 0 387.571 1.302 20 0 GDADRO COCCNC(=O)c1ccc(NCC2([NH+]3CCOCC3)CCCCC2)nc1 ZINC000359898842 206268978 /nfs/dbraw/zinc/26/89/78/206268978.db2.gz NFPOYTWPBQPROF-UHFFFAOYSA-N 1 0 376.501 1.905 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000359980501 206274735 /nfs/dbraw/zinc/27/47/35/206274735.db2.gz ZQSBPQRRTDDOMJ-GOSISDBHSA-N 1 0 399.499 1.531 20 0 GDADRO Cc1ccn2c(c1)ncc(C(=O)N1CCC(C)(C[NH+]3CCN(C)CC3)CC1)c2=O ZINC000359962365 206273936 /nfs/dbraw/zinc/27/39/36/206273936.db2.gz VLMFHGXJRMAOAQ-UHFFFAOYSA-N 1 0 397.523 1.493 20 0 GDADRO CC(C)(CNC(=O)CN1CC[NH+](CCc2ccccc2)CC1)N1CCOCC1 ZINC000023672298 207280837 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380.449 1.255 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736859685 598875028 /nfs/dbraw/zinc/87/50/28/598875028.db2.gz HCPZJHOUHUKWSN-KGLIPLIRSA-N 1 0 380.449 1.253 20 0 GDADRO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736890043 598890670 /nfs/dbraw/zinc/89/06/70/598890670.db2.gz ZSVMOQJQPOOXGW-VHSXEESVSA-N 1 0 380.836 1.588 20 0 GDADRO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3sccc3-c3nn[nH]n3)CC2)nc1 ZINC000736772024 598912405 /nfs/dbraw/zinc/91/24/05/598912405.db2.gz UKDSEUQIDMIAAI-UHFFFAOYSA-N 1 0 398.496 1.347 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000736240026 598940080 /nfs/dbraw/zinc/94/00/80/598940080.db2.gz ZYKCQTKNSWSEKT-ZIAGYGMSSA-N 1 0 390.923 1.910 20 0 GDADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736287780 598943421 /nfs/dbraw/zinc/94/34/21/598943421.db2.gz FMRMULFIDNCJAM-HNNXBMFYSA-N 1 0 377.452 1.998 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736288476 598943646 /nfs/dbraw/zinc/94/36/46/598943646.db2.gz HHPGXLPSQNUOMN-OAHLLOKOSA-N 1 0 377.452 1.998 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000737298540 598948643 /nfs/dbraw/zinc/94/86/43/598948643.db2.gz RANXENFVXXRWQR-AWEZNQCLSA-N 1 0 378.502 1.718 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000737296726 598956073 /nfs/dbraw/zinc/95/60/73/598956073.db2.gz NBHVFQUVVIZPRW-MRXNPFEDSA-N 1 0 390.513 1.814 20 0 GDADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2NCC1([NH+]2CCCC2)CCOCC1 ZINC000738437746 598968024 /nfs/dbraw/zinc/96/80/24/598968024.db2.gz UKRTWIAAFOAJMZ-UHFFFAOYSA-N 1 0 380.456 1.867 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738026348 598975721 /nfs/dbraw/zinc/97/57/21/598975721.db2.gz RHOLNYQDFXFQED-OAHLLOKOSA-N 1 0 397.483 1.656 20 0 GDADRO O=C(NCCSCc1ccccc1-c1nn[nH]n1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000738086427 598973554 /nfs/dbraw/zinc/97/35/54/598973554.db2.gz YQWIDIPJFRADAT-CQSZACIVSA-N 1 0 387.513 1.636 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000737033053 598981169 /nfs/dbraw/zinc/98/11/69/598981169.db2.gz QSQVKSLAFKCIFD-UHFFFAOYSA-N 1 0 396.451 1.632 20 0 GDADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000736866433 598982032 /nfs/dbraw/zinc/98/20/32/598982032.db2.gz GDQYPJBGMWLCAS-UHFFFAOYSA-N 1 0 398.858 1.919 20 0 GDADRO COC(=O)[C@H](C)C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)C1CC1 ZINC000736891701 599019606 /nfs/dbraw/zinc/01/96/06/599019606.db2.gz KBUUCYREJDEGNV-GFCCVEGCSA-N 1 0 375.429 1.528 20 0 GDADRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736112291 599023798 /nfs/dbraw/zinc/02/37/98/599023798.db2.gz HSXKIVWUTKHCTQ-CQSZACIVSA-N 1 0 387.488 1.416 20 0 GDADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736767172 599025285 /nfs/dbraw/zinc/02/52/85/599025285.db2.gz MRFWPXPYNIBMMZ-UHFFFAOYSA-N 1 0 379.468 1.898 20 0 GDADRO CC(C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[nH]n1)[NH+]1CCN(C)CC1 ZINC000735708591 599040713 /nfs/dbraw/zinc/04/07/13/599040713.db2.gz MJLHSJJOUWVRQE-CYBMUJFWSA-N 1 0 398.437 1.964 20 0 GDADRO CC1CCC([NH+]2CCN(CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000736243786 599082285 /nfs/dbraw/zinc/08/22/85/599082285.db2.gz ZGQILHRMGLWFSS-UHFFFAOYSA-N 1 0 397.527 1.679 20 0 GDADRO NC(=O)[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735357 599090416 /nfs/dbraw/zinc/09/04/16/599090416.db2.gz CJYRUICOVVBUPU-IBGZPJMESA-N 1 0 391.479 1.779 20 0 GDADRO COc1ccccc1C(C)(C)C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737137367 599095612 /nfs/dbraw/zinc/09/56/12/599095612.db2.gz GEJTYHDZUOZWFD-QGZVFWFLSA-N 1 0 380.452 1.969 20 0 GDADRO COc1ccccc1C(C)(C)C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737137365 599095953 /nfs/dbraw/zinc/09/59/53/599095953.db2.gz GEJTYHDZUOZWFD-KRWDZBQOSA-N 1 0 380.452 1.969 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H]1CCCN(c3ccccc3)C1)C2 ZINC000738434279 599103207 /nfs/dbraw/zinc/10/32/07/599103207.db2.gz BZKQOZYAXFIVRO-HUUCEWRRSA-N 1 0 379.472 1.364 20 0 GDADRO COCCCOC1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736987730 599136561 /nfs/dbraw/zinc/13/65/61/599136561.db2.gz KXCAKBVIQCVJKJ-UHFFFAOYSA-N 1 0 388.472 1.713 20 0 GDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736770677 599199700 /nfs/dbraw/zinc/19/97/00/599199700.db2.gz DRYYXKZUYHZFBA-UHFFFAOYSA-N 1 0 379.424 1.208 20 0 GDADRO O[C@@H](C[NH+]1CCN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC000738380429 599205167 /nfs/dbraw/zinc/20/51/67/599205167.db2.gz GGOPKZRGWLMGRA-HNNXBMFYSA-N 1 0 385.859 1.771 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821161152 599214163 /nfs/dbraw/zinc/21/41/63/599214163.db2.gz VKVGUBCWQAEVFB-NSHDSACASA-N 1 0 391.863 1.259 20 0 GDADRO O=C(CC[NH+]1CCN(c2cccc(O)c2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822969071 607265189 /nfs/dbraw/zinc/26/51/89/607265189.db2.gz HDGVHVCKMXTAFU-UHFFFAOYSA-N 1 0 393.451 1.723 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)C[C@@H]1C ZINC000821254432 607278787 /nfs/dbraw/zinc/27/87/87/607278787.db2.gz MAABSRXAURGPKU-JSGCOSHPSA-N 1 0 385.472 1.445 20 0 GDADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(NC2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000822723981 607302667 /nfs/dbraw/zinc/30/26/67/607302667.db2.gz VJCDFXXPXADTPE-NSHDSACASA-N 1 0 383.378 1.946 20 0 GDADRO CCC[NH+]1CCC(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000821109253 607297995 /nfs/dbraw/zinc/29/79/95/607297995.db2.gz DUGOOOUWXSQOKS-UHFFFAOYSA-N 1 0 399.499 1.966 20 0 GDADRO C[NH+](C)CCOc1cccc(NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000821587311 607311392 /nfs/dbraw/zinc/31/13/92/607311392.db2.gz QNNOSUWCIJHPPB-ZDUSSCGKSA-N 1 0 383.460 1.157 20 0 GDADRO COc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C(=O)[O-])C2)[NH+]2CCCCC2)cc1 ZINC000818583099 597525073 /nfs/dbraw/zinc/52/50/73/597525073.db2.gz ZYTPVVGDUJMRCW-IEBWSBKVSA-N 1 0 389.496 1.745 20 0 GDADRO Cc1nnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c(-c2nn[nH]n2)c1C ZINC000737534817 599266738 /nfs/dbraw/zinc/26/67/38/599266738.db2.gz XTORKWGZBGSINT-NSHDSACASA-N 1 0 398.500 1.818 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736322497 599282198 /nfs/dbraw/zinc/28/21/98/599282198.db2.gz LBSOWJAKWWNXHB-SNVBAGLBSA-N 1 0 379.852 1.305 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1)C(C)C ZINC000736538427 599282757 /nfs/dbraw/zinc/28/27/57/599282757.db2.gz WMKHDVOVXUVZSR-UHFFFAOYSA-N 1 0 379.852 1.305 20 0 GDADRO CC[NH+]1CCC(N[C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000736573587 599287173 /nfs/dbraw/zinc/28/71/73/599287173.db2.gz ZXDQGLLMPLMJMS-NSHDSACASA-N 1 0 389.529 1.818 20 0 GDADRO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@@H+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735460910 599290813 /nfs/dbraw/zinc/29/08/13/599290813.db2.gz OSVSOWFAEOGBDO-SJCJKPOMSA-N 1 0 396.455 1.742 20 0 GDADRO CC[N@H+](CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CCCC1 ZINC000736556621 598233637 /nfs/dbraw/zinc/23/36/37/598233637.db2.gz ZRLXXGMRRLTPBJ-LJQANCHMSA-N 1 0 383.456 1.856 20 0 GDADRO CC(C)CCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735820772 598252167 /nfs/dbraw/zinc/25/21/67/598252167.db2.gz WDDIEQUAUGVVSG-UHFFFAOYSA-N 1 0 380.518 1.606 20 0 GDADRO C[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736116163 598262884 /nfs/dbraw/zinc/26/28/84/598262884.db2.gz DHXCXELBSVPQSA-HNNXBMFYSA-N 1 0 399.499 1.872 20 0 GDADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736266012 598266978 /nfs/dbraw/zinc/26/69/78/598266978.db2.gz MGPAYIDMHOBUQO-LBPRGKRZSA-N 1 0 379.490 1.051 20 0 GDADRO C[C@@H](CNC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[N@H+](C)C1CC1 ZINC000736017189 598270840 /nfs/dbraw/zinc/27/08/40/598270840.db2.gz JYIBNEXBPBPFEX-HNNXBMFYSA-N 1 0 398.515 1.177 20 0 GDADRO C[C@@H]([NH2+]CCC(=O)NC(=O)NCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736137935 598273412 /nfs/dbraw/zinc/27/34/12/598273412.db2.gz YXISVXCRBFTZCZ-CQSZACIVSA-N 1 0 393.451 1.933 20 0 GDADRO O=C1NCCC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738314658 598275410 /nfs/dbraw/zinc/27/54/10/598275410.db2.gz CIOHZCZSDQCGTB-SFHVURJKSA-N 1 0 378.436 1.814 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738038419 598295009 /nfs/dbraw/zinc/29/50/09/598295009.db2.gz ZPGJQCMNGNJIBW-HOTGVXAUSA-N 1 0 396.499 1.325 20 0 GDADRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736409074 598300137 /nfs/dbraw/zinc/30/01/37/598300137.db2.gz CPUOTBJZSXRNGP-CABCVRRESA-N 1 0 399.499 1.822 20 0 GDADRO COCC[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736975372 598304304 /nfs/dbraw/zinc/30/43/04/598304304.db2.gz BBXRRZJUTXLTHB-CQSZACIVSA-N 1 0 375.477 1.365 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735856924 598304616 /nfs/dbraw/zinc/30/46/16/598304616.db2.gz LTGOZVHZQUEMBH-UHFFFAOYSA-N 1 0 386.504 1.034 20 0 GDADRO CC[C@@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736403377 598334775 /nfs/dbraw/zinc/33/47/75/598334775.db2.gz UXGXZERAFMVJQL-CQSZACIVSA-N 1 0 383.456 1.710 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000737024445 598346756 /nfs/dbraw/zinc/34/67/56/598346756.db2.gz RZGAQZOZKZSCDP-CABCVRRESA-N 1 0 386.456 1.339 20 0 GDADRO CCn1ccnc1CN1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736721513 598350104 /nfs/dbraw/zinc/35/01/04/598350104.db2.gz CTGQVCLHEXTMBF-UHFFFAOYSA-N 1 0 384.463 1.930 20 0 GDADRO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737512163 598369005 /nfs/dbraw/zinc/36/90/05/598369005.db2.gz XCCWGJRSWRTRJQ-FUHWJXTLSA-N 1 0 397.483 1.794 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736000897 598391931 /nfs/dbraw/zinc/39/19/31/598391931.db2.gz KKDQTZHGBBYQTR-OAHLLOKOSA-N 1 0 398.515 1.177 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000736635869 598392470 /nfs/dbraw/zinc/39/24/70/598392470.db2.gz IEHSPYZTSDNRBA-ZDUSSCGKSA-N 1 0 388.476 1.023 20 0 GDADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@H+](C)CCOC ZINC000736480226 598412883 /nfs/dbraw/zinc/41/28/83/598412883.db2.gz MGANFCYRACBPIE-UHFFFAOYSA-N 1 0 375.477 1.367 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736860446 598425295 /nfs/dbraw/zinc/42/52/95/598425295.db2.gz QDHWLYBFXHXZSK-LPADLIQXSA-N 1 0 395.511 1.508 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000736263955 598434457 /nfs/dbraw/zinc/43/44/57/598434457.db2.gz AAXFJGQOILIUJK-ZDUSSCGKSA-N 1 0 395.471 1.096 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2sccc2-c2nn[nH]n2)c1 ZINC000736768306 598445781 /nfs/dbraw/zinc/44/57/81/598445781.db2.gz CPVVPNFKLTZQFY-UHFFFAOYSA-N 1 0 399.480 1.150 20 0 GDADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736766887 598462176 /nfs/dbraw/zinc/46/21/76/598462176.db2.gz HUNDZGORIKDRLV-UHFFFAOYSA-N 1 0 379.468 1.898 20 0 GDADRO NC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000737758622 598467082 /nfs/dbraw/zinc/46/70/82/598467082.db2.gz AMNFVRLRFJYFCI-UHFFFAOYSA-N 1 0 378.440 1.119 20 0 GDADRO O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000737793248 598468034 /nfs/dbraw/zinc/46/80/34/598468034.db2.gz WYQJDCBFLRHIMR-RBUKOAKNSA-N 1 0 395.511 1.922 20 0 GDADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736249853 598485096 /nfs/dbraw/zinc/48/50/96/598485096.db2.gz LHRLUJTWSMGZCE-VXGBXAGGSA-N 1 0 389.435 1.323 20 0 GDADRO Cc1nc(SCC(=O)NC[C@H]2CCC[N@@H+](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737481974 598498365 /nfs/dbraw/zinc/49/83/65/598498365.db2.gz DFEHNUSPIMGZNB-CQSZACIVSA-N 1 0 389.529 1.737 20 0 GDADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)CCN1C(=O)c2ccccc2C1=O ZINC000736804744 598505754 /nfs/dbraw/zinc/50/57/54/598505754.db2.gz TZMUWWZAZYRBBW-UHFFFAOYSA-N 1 0 392.419 1.474 20 0 GDADRO CCc1ccc([C@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N(C)C)cc1 ZINC000736683702 598517466 /nfs/dbraw/zinc/51/74/66/598517466.db2.gz FKWMLSLUJSAURP-YJBOKZPZSA-N 1 0 395.515 1.560 20 0 GDADRO c1coc([C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N2CCCC2)c1 ZINC000738447070 598518080 /nfs/dbraw/zinc/51/80/80/598518080.db2.gz BHOFRFNJFJEEPP-UKRRQHHQSA-N 1 0 383.460 1.125 20 0 GDADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735488386 598519568 /nfs/dbraw/zinc/51/95/68/598519568.db2.gz LLGYRDKERDLPCN-AAEUAGOBSA-N 1 0 381.444 1.414 20 0 GDADRO COc1cc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)ccc1OC(C)C ZINC000737046056 598521759 /nfs/dbraw/zinc/52/17/59/598521759.db2.gz ZURGDKPYLXSGIY-CQSZACIVSA-N 1 0 398.471 1.691 20 0 GDADRO c1cn(Cc2cccc(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c2)cn1 ZINC000738411302 598521834 /nfs/dbraw/zinc/52/18/34/598521834.db2.gz UICIYJRNOVFGPB-MRXNPFEDSA-N 1 0 390.455 1.140 20 0 GDADRO c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738433284 598522596 /nfs/dbraw/zinc/52/25/96/598522596.db2.gz SHKATVYKPLLULN-HNNXBMFYSA-N 1 0 390.455 1.140 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H](c1ccccc1)c1ccncc1)C2 ZINC000738427949 598526995 /nfs/dbraw/zinc/52/69/95/598526995.db2.gz ZRNWKNVLUABOMT-KSSFIOAISA-N 1 0 387.451 1.879 20 0 GDADRO Fc1ccc(C2(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCC2)cc1 ZINC000737652658 598527735 /nfs/dbraw/zinc/52/77/35/598527735.db2.gz XFGRAJIPAQFZIG-CYBMUJFWSA-N 1 0 382.447 1.956 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H](c1ccccc1)c1cccnc1)C2 ZINC000738426471 598529767 /nfs/dbraw/zinc/52/97/67/598529767.db2.gz QPERETPIQNFKQA-KSSFIOAISA-N 1 0 387.451 1.879 20 0 GDADRO CC(C)([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C(=O)Nc1ccccc1 ZINC000735677506 598531566 /nfs/dbraw/zinc/53/15/66/598531566.db2.gz CRLYUAMEBAVLBO-GFCCVEGCSA-N 1 0 381.444 1.112 20 0 GDADRO O=C(CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)NCC1CCC1 ZINC000737873141 598537937 /nfs/dbraw/zinc/53/79/37/598537937.db2.gz LIOSAHVLVFRFAY-UHFFFAOYSA-N 1 0 383.500 1.291 20 0 GDADRO CNC(=O)c1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000736877979 598558483 /nfs/dbraw/zinc/55/84/83/598558483.db2.gz REIJTHJGAJMUPN-UHFFFAOYSA-N 1 0 377.452 1.549 20 0 GDADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736762467 598569709 /nfs/dbraw/zinc/56/97/09/598569709.db2.gz ICBGLRRUCDSMQI-MRXNPFEDSA-N 1 0 378.436 1.765 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000736771748 598579601 /nfs/dbraw/zinc/57/96/01/598579601.db2.gz PXLYGSPEESEHRE-KRWDZBQOSA-N 1 0 395.471 1.232 20 0 GDADRO Nc1c(-c2nn[nH]n2)cnn1CCOC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000737771691 598604794 /nfs/dbraw/zinc/60/47/94/598604794.db2.gz TZRSLIKHZPGNJB-UHFFFAOYSA-N 1 0 396.455 1.488 20 0 GDADRO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000736866912 598607455 /nfs/dbraw/zinc/60/74/55/598607455.db2.gz IINKCWIYNXWRGL-UHFFFAOYSA-N 1 0 399.480 1.419 20 0 GDADRO O=C1C[C@H]([N@@H+]2CC[C@@H](c3ccccc3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738301649 598616927 /nfs/dbraw/zinc/61/69/27/598616927.db2.gz QPLRXORGGZPXEJ-AEFFLSMTSA-N 1 0 388.431 1.988 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H](C)O1 ZINC000736284848 598630875 /nfs/dbraw/zinc/63/08/75/598630875.db2.gz HACBYLXPSWUPJU-VXGBXAGGSA-N 1 0 377.424 1.627 20 0 GDADRO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736529640 598638851 /nfs/dbraw/zinc/63/88/51/598638851.db2.gz NTSHMWYWFAXWQC-UHFFFAOYSA-N 1 0 391.907 1.901 20 0 GDADRO C[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000736150261 598672057 /nfs/dbraw/zinc/67/20/57/598672057.db2.gz ZECNVRNIYZSWOH-SNVBAGLBSA-N 1 0 391.838 1.710 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000736275801 598693379 /nfs/dbraw/zinc/69/33/79/598693379.db2.gz DCDNDCAEAKFDCQ-GFCCVEGCSA-N 1 0 382.465 1.405 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736568864 598694243 /nfs/dbraw/zinc/69/42/43/598694243.db2.gz DQNOHVUZSQHIMB-OAHLLOKOSA-N 1 0 395.471 1.239 20 0 GDADRO CN(CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000736788109 598708223 /nfs/dbraw/zinc/70/82/23/598708223.db2.gz PNJHQNPBVHFRII-ZDUSSCGKSA-N 1 0 375.864 1.627 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736769410 598758982 /nfs/dbraw/zinc/75/89/82/598758982.db2.gz RSXXYLMSEPZWMW-UHFFFAOYSA-N 1 0 390.513 1.528 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736859692 598783667 /nfs/dbraw/zinc/78/36/67/598783667.db2.gz HGBAJMOUCVNHJM-HNNXBMFYSA-N 1 0 385.472 1.514 20 0 GDADRO COc1cccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000737132036 598795773 /nfs/dbraw/zinc/79/57/73/598795773.db2.gz ULSMXZCUQBSQHV-UHFFFAOYSA-N 1 0 379.468 1.978 20 0 GDADRO O=C(CC[N@@H+](CCO)CCc1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737839493 598797826 /nfs/dbraw/zinc/79/78/26/598797826.db2.gz UBUINJQLYALUKC-UHFFFAOYSA-N 1 0 380.452 1.732 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000737896774 598812757 /nfs/dbraw/zinc/81/27/57/598812757.db2.gz YRHFZIKENKKBHJ-KRWDZBQOSA-N 1 0 385.472 1.038 20 0 GDADRO CC(=O)N1CCCN([C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)CC1 ZINC000735464492 599297781 /nfs/dbraw/zinc/29/77/81/599297781.db2.gz BHEMBFDHOHYDFO-HNAYVOBHSA-N 1 0 383.500 1.241 20 0 GDADRO Cc1nc(SCC(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737484043 599298868 /nfs/dbraw/zinc/29/88/68/599298868.db2.gz RNIASCPTNRZJAF-IINYFYTJSA-N 1 0 389.529 1.688 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000736408259 599300810 /nfs/dbraw/zinc/30/08/10/599300810.db2.gz RJXXTSAIESSCCK-HIFRSBDPSA-N 1 0 394.501 1.025 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000736405652 599300821 /nfs/dbraw/zinc/30/08/21/599300821.db2.gz HEAXQQIMYWBJAI-NVXWUHKLSA-N 1 0 392.529 1.795 20 0 GDADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000736286129 599316372 /nfs/dbraw/zinc/31/63/72/599316372.db2.gz LYKKOQUSVMCXCA-JTDSTZFVSA-N 1 0 385.516 1.264 20 0 GDADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821189247 599323041 /nfs/dbraw/zinc/32/30/41/599323041.db2.gz JQDYSVDFYITFSY-UHFFFAOYSA-N 1 0 396.492 1.748 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)C[C@H]1C ZINC000821253507 599344783 /nfs/dbraw/zinc/34/47/83/599344783.db2.gz FYTDPWWZNFEJAZ-NEPJUHHUSA-N 1 0 382.465 1.499 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000821240335 599355631 /nfs/dbraw/zinc/35/56/31/599355631.db2.gz GMYSRFHGQDBVID-UHFFFAOYSA-N 1 0 398.920 1.920 20 0 GDADRO S=C(Nc1ccccc1-c1nn[nH]n1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000738408513 599370705 /nfs/dbraw/zinc/37/07/05/599370705.db2.gz MLXLCNMIZLWLEO-CYBMUJFWSA-N 1 0 387.513 1.654 20 0 GDADRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[C@H]2CCCO[C@H]21 ZINC000820585541 599382268 /nfs/dbraw/zinc/38/22/68/599382268.db2.gz OKMYQKDVVFQOFP-QBPKDAKJSA-N 1 0 382.468 1.765 20 0 GDADRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821872104 599383097 /nfs/dbraw/zinc/38/30/97/599383097.db2.gz IWIRZVGWXYIANY-SJCJKPOMSA-N 1 0 382.424 1.459 20 0 GDADRO COc1ccc(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cc1-c1nn[nH]n1 ZINC000821813254 599396679 /nfs/dbraw/zinc/39/66/79/599396679.db2.gz BXQUKJFEVOXIRL-UHFFFAOYSA-N 1 0 399.455 1.220 20 0 GDADRO COc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1-c1nn[nH]n1 ZINC000821808854 599412365 /nfs/dbraw/zinc/41/23/65/599412365.db2.gz KKQSPCFMOJMHHF-SFHVURJKSA-N 1 0 390.513 1.173 20 0 GDADRO CC(C)C[NH+]1CCC(NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000820093487 599413394 /nfs/dbraw/zinc/41/33/94/599413394.db2.gz XUNYTXRPULEFAF-UHFFFAOYSA-N 1 0 375.452 1.925 20 0 GDADRO C[C@@H](CNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000820710341 599439154 /nfs/dbraw/zinc/43/91/54/599439154.db2.gz PPGRVAFBYWLKEN-CABCVRRESA-N 1 0 387.488 1.665 20 0 GDADRO CS(=O)(=O)Nc1cccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821937178 599450795 /nfs/dbraw/zinc/45/07/95/599450795.db2.gz KAJZOIDEBVYGMU-UHFFFAOYSA-N 1 0 388.453 1.407 20 0 GDADRO Cc1ccc(N2CCC[C@H]([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)cc1 ZINC000822241425 599455301 /nfs/dbraw/zinc/45/53/01/599455301.db2.gz VQZSMPRWSYHBHF-HOTGVXAUSA-N 1 0 393.499 1.672 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(-n2ccnc2)c1 ZINC000820420314 599462254 /nfs/dbraw/zinc/46/22/54/599462254.db2.gz OZOQGCSFXYLTFX-KGLIPLIRSA-N 1 0 390.455 1.641 20 0 GDADRO Cn1c(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)nc2c1cccc2F ZINC000737589824 599491139 /nfs/dbraw/zinc/49/11/39/599491139.db2.gz DZPDKCGQDJZFRK-UHFFFAOYSA-N 1 0 391.414 1.873 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000737293957 599502549 /nfs/dbraw/zinc/50/25/49/599502549.db2.gz IWAYFJIHNJKHMI-AWEZNQCLSA-N 1 0 385.472 1.798 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000822337206 599524309 /nfs/dbraw/zinc/52/43/09/599524309.db2.gz VIDGIAAXTIXTRJ-SJORKVTESA-N 1 0 379.468 1.759 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1-c1nn[nH]n1 ZINC000822319092 599596862 /nfs/dbraw/zinc/59/68/62/599596862.db2.gz IPZBINNYMSWDMN-ZDUSSCGKSA-N 1 0 399.480 1.594 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1-c1nn[nH]n1 ZINC000822309304 599600813 /nfs/dbraw/zinc/60/08/13/599600813.db2.gz UBBAPPKDPKWHNW-UHFFFAOYSA-N 1 0 397.483 1.591 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820239976 599602470 /nfs/dbraw/zinc/60/24/70/599602470.db2.gz BDJJLOPVMAPYAK-SECBINFHSA-N 1 0 399.377 1.280 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1-c1nn[nH]n1 ZINC000822319071 599607391 /nfs/dbraw/zinc/60/73/91/599607391.db2.gz IDTARCBJVHMPFI-CQSZACIVSA-N 1 0 385.472 1.350 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1-c1nn[nH]n1 ZINC000822312187 599607734 /nfs/dbraw/zinc/60/77/34/599607734.db2.gz CCVJNCHVESYNHR-CQSZACIVSA-N 1 0 387.488 1.596 20 0 GDADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820709558 599615217 /nfs/dbraw/zinc/61/52/17/599615217.db2.gz KFXPEAMPHFHWHU-JTQLQIEISA-N 1 0 377.836 1.059 20 0 GDADRO COC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736909540 599642096 /nfs/dbraw/zinc/64/20/96/599642096.db2.gz JGEDYSLEXUUXTR-NSHDSACASA-N 1 0 392.847 1.734 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821583329 599666931 /nfs/dbraw/zinc/66/69/31/599666931.db2.gz RFBRAMRDLFUQCZ-GOSISDBHSA-N 1 0 395.467 1.848 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820709067 599672352 /nfs/dbraw/zinc/67/23/52/599672352.db2.gz CNUUZJBKHQNEKR-CABCVRRESA-N 1 0 387.488 1.665 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCOC1CCC1 ZINC000821586427 599680641 /nfs/dbraw/zinc/68/06/41/599680641.db2.gz XPHZQUZFVXDQBD-UHFFFAOYSA-N 1 0 387.488 1.509 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826436210 607450563 /nfs/dbraw/zinc/45/05/63/607450563.db2.gz LWVFRXRHNWVCQB-UHFFFAOYSA-N 1 0 385.472 1.267 20 0 GDADRO C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000827369347 601124074 /nfs/dbraw/zinc/12/40/74/601124074.db2.gz VQXGJOMLMQQACA-MRXNPFEDSA-N 1 0 389.500 1.451 20 0 GDADRO C[C@@H]1CN(Cc2ccnc(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000824992561 607495454 /nfs/dbraw/zinc/49/54/54/607495454.db2.gz MPSXRDYSXFDONT-DNVCBOLYSA-N 1 0 379.468 1.501 20 0 GDADRO C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000825985990 607496637 /nfs/dbraw/zinc/49/66/37/607496637.db2.gz JUXPSUXBNMXHHW-MRXNPFEDSA-N 1 0 385.497 1.829 20 0 GDADRO CCn1ccnc1CN1CCC[N@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000825805066 607497056 /nfs/dbraw/zinc/49/70/56/607497056.db2.gz QEOSHNGCYQTMKZ-UHFFFAOYSA-N 1 0 396.499 1.800 20 0 GDADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)s1 ZINC000826432676 607510292 /nfs/dbraw/zinc/51/02/92/607510292.db2.gz HUKKCHNMVDXNSI-CQSZACIVSA-N 1 0 384.465 1.077 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000825451520 607512966 /nfs/dbraw/zinc/51/29/66/607512966.db2.gz JDGHZXTVQQSVDD-LRDDRELGSA-N 1 0 375.452 1.878 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1-c1nn[nH]n1 ZINC000826298993 607515615 /nfs/dbraw/zinc/51/56/15/607515615.db2.gz NLSTXSMVVLCSSW-OAHLLOKOSA-N 1 0 399.499 1.598 20 0 GDADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826457531 607518562 /nfs/dbraw/zinc/51/85/62/607518562.db2.gz FZLZWZFAUATJPJ-UHFFFAOYSA-N 1 0 379.424 1.818 20 0 GDADRO CC[N@H+](CCc1cn(CC(=O)OC)nn1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428839 607519028 /nfs/dbraw/zinc/51/90/28/607519028.db2.gz UEIXEELUVFGJRP-ZDUSSCGKSA-N 1 0 384.444 1.257 20 0 GDADRO 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394.476 1.645 20 0 GDADRO CC[NH+]1CCN(c2ccc(C(=O)OCc3ccnc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000825466207 607608393 /nfs/dbraw/zinc/60/83/93/607608393.db2.gz XFIXFOGXIWYIKJ-UHFFFAOYSA-N 1 0 393.451 1.761 20 0 GDADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)C(C)(C)C ZINC000825860305 607616618 /nfs/dbraw/zinc/61/66/18/607616618.db2.gz PPOSLNPZTAOKKU-AWEZNQCLSA-N 1 0 384.481 1.651 20 0 GDADRO Cc1cccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1-c1nn[nH]n1 ZINC000826302591 607617162 /nfs/dbraw/zinc/61/71/62/607617162.db2.gz NKPIWQSFSYOUKE-CQSZACIVSA-N 1 0 380.518 1.820 20 0 GDADRO O=S(=O)(c1cccc(F)c1-c1nn[nH]n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000826495965 607640810 /nfs/dbraw/zinc/64/08/10/607640810.db2.gz HMAFENZBRDCRGI-GFCCVEGCSA-N 1 0 380.449 1.112 20 0 GDADRO O=C1C[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000826478617 607645344 /nfs/dbraw/zinc/64/53/44/607645344.db2.gz GTTDQKGKQKARRO-INMHGKMJSA-N 1 0 396.451 1.247 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000826033342 607651104 /nfs/dbraw/zinc/65/11/04/607651104.db2.gz ASEPFFBZSOOEPF-LBPRGKRZSA-N 1 0 382.465 1.501 20 0 GDADRO CCCCCNC(=O)C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825275965 607655990 /nfs/dbraw/zinc/65/59/90/607655990.db2.gz JWBRPUJRHFPCPM-UHFFFAOYSA-N 1 0 399.499 1.824 20 0 GDADRO O=C(NCc1n[nH]cc1Br)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529311189 649939723 /nfs/dbraw/zinc/93/97/23/649939723.db2.gz VBDMJYPPCRRSNP-LBPRGKRZSA-N 1 0 386.294 1.472 20 0 GDADRO C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(C(=O)[O-])CC1 ZINC000828107675 603977950 /nfs/dbraw/zinc/97/79/50/603977950.db2.gz AOBYGYXOEJCPFG-UHFFFAOYSA-N 1 0 388.512 1.973 20 0 GDADRO C[C@@]1(CCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1(Cl)Cl ZINC000529331260 649940514 /nfs/dbraw/zinc/94/05/14/649940514.db2.gz OSLLVJHMRAQQLK-OAHLLOKOSA-N 1 0 392.331 1.313 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)C1 ZINC000824262110 607677680 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ZGANWEHJIJYTRR-UHFFFAOYSA-N 1 0 380.456 1.978 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000826250240 607711686 /nfs/dbraw/zinc/71/16/86/607711686.db2.gz QVKVKYRKXBXGNX-INIZCTEOSA-N 1 0 392.467 1.963 20 0 GDADRO C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000825485264 604769668 /nfs/dbraw/zinc/76/96/68/604769668.db2.gz NMIKKMXIEJTRIY-OAHLLOKOSA-N 1 0 378.473 1.100 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000833624945 605044443 /nfs/dbraw/zinc/04/44/43/605044443.db2.gz MDRLGVXZDDZKEB-QGZVFWFLSA-N 1 0 388.512 1.625 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825459487 607735223 /nfs/dbraw/zinc/73/52/23/607735223.db2.gz LVJMBCAOMCYQCE-HNNXBMFYSA-N 1 0 380.456 1.717 20 0 GDADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826442450 607736503 /nfs/dbraw/zinc/73/65/03/607736503.db2.gz WPXKZFFNKBETGZ-UHFFFAOYSA-N 1 0 381.440 1.599 20 0 GDADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000824045659 607748469 /nfs/dbraw/zinc/74/84/69/607748469.db2.gz ODSCBQSTZVOFDP-ZIAGYGMSSA-N 1 0 381.444 1.197 20 0 GDADRO CC1=C(C(=O)[O-])C[C@@H](C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)O1 ZINC000833580297 605363343 /nfs/dbraw/zinc/36/33/43/605363343.db2.gz PCUSLHQHNARPLL-KRWDZBQOSA-N 1 0 389.496 1.897 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000530034375 649963140 /nfs/dbraw/zinc/96/31/40/649963140.db2.gz VQTVUBJUUWMQOX-QWHCGFSZSA-N 1 0 380.297 1.404 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(CN(C)c2nc3ccccc3cc2-c2nn[nH]n2)CC1 ZINC000820480894 606072960 /nfs/dbraw/zinc/07/29/60/606072960.db2.gz QHRXMEFQHWRMTJ-CQSZACIVSA-N 1 0 381.484 1.944 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(c3nc4ccccc4cc3-c3nn[nH]n3)CC2)C1 ZINC000821623896 606086342 /nfs/dbraw/zinc/08/63/42/606086342.db2.gz VDQWNWBUCQXDED-INIZCTEOSA-N 1 0 378.484 1.631 20 0 GDADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 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OUBVVTBLLRGQRM-SNVBAGLBSA-N 1 0 378.483 1.687 20 0 GDADRO CN1CC[N@H+](CCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](c2ccccc2)C1 ZINC000821627071 606255176 /nfs/dbraw/zinc/25/51/76/606255176.db2.gz MAVLWAZWTIFGLT-GOSISDBHSA-N 1 0 394.483 1.303 20 0 GDADRO CN(c1ccc(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1)C1CC[NH+](C)CC1 ZINC000821621647 606258775 /nfs/dbraw/zinc/25/87/75/606258775.db2.gz AIXQDHGNTUOZIQ-UHFFFAOYSA-N 1 0 380.456 1.978 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C(C)(C)C[NH+](C)C ZINC000820321219 606282120 /nfs/dbraw/zinc/28/21/20/606282120.db2.gz CZIXCSOJHPVEKO-PBHICJAKSA-N 1 0 385.516 1.928 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000822638068 606283840 /nfs/dbraw/zinc/28/38/40/606283840.db2.gz YMCZMZPFLNSEPB-MRXNPFEDSA-N 1 0 379.468 1.847 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821266304 606288653 /nfs/dbraw/zinc/28/86/53/606288653.db2.gz ASOUZYTVMFLUSJ-QGZVFWFLSA-N 1 0 394.483 1.727 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562520 606308834 /nfs/dbraw/zinc/30/88/34/606308834.db2.gz SNRYPHOCNOEMRV-MRXNPFEDSA-N 1 0 391.428 1.103 20 0 GDADRO CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000820989312 606345851 /nfs/dbraw/zinc/34/58/51/606345851.db2.gz QGOOKSBWYWMATI-CYBMUJFWSA-N 1 0 377.424 1.580 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000820133975 606400876 /nfs/dbraw/zinc/40/08/76/606400876.db2.gz VBIGYLYNDSZFJE-LBPRGKRZSA-N 1 0 389.435 1.181 20 0 GDADRO O=C(c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1)N1CCOCC1 ZINC000823488947 606408143 /nfs/dbraw/zinc/40/81/43/606408143.db2.gz ZHNYWPCGBYYCJJ-UHFFFAOYSA-N 1 0 384.465 1.690 20 0 GDADRO COc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000821794831 606438985 /nfs/dbraw/zinc/43/89/85/606438985.db2.gz NIZVOCYYDUWPEM-UHFFFAOYSA-N 1 0 379.468 1.978 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000821688249 606452428 /nfs/dbraw/zinc/45/24/28/606452428.db2.gz DKZVSUJNZXFQSV-CHWSQXEVSA-N 1 0 389.504 1.848 20 0 GDADRO C[C@H](O)C[N@H+](C)C1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000820480899 606488335 /nfs/dbraw/zinc/48/83/35/606488335.db2.gz QIKPPGXMYGDBJM-LBPRGKRZSA-N 1 0 396.442 1.745 20 0 GDADRO COC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821684770 606520993 /nfs/dbraw/zinc/52/09/93/606520993.db2.gz KCVCUPDYUPNLGE-NSHDSACASA-N 1 0 376.486 1.856 20 0 GDADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000823092797 606528362 /nfs/dbraw/zinc/52/83/62/606528362.db2.gz LJVYYIJJAJDGRK-UHFFFAOYSA-N 1 0 377.452 1.585 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000821189838 606551123 /nfs/dbraw/zinc/55/11/23/606551123.db2.gz VSTGAPDJPDWYBT-UHFFFAOYSA-N 1 0 385.394 1.998 20 0 GDADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823250518 606562440 /nfs/dbraw/zinc/56/24/40/606562440.db2.gz ZHUBLGZFIVQFJH-UHFFFAOYSA-N 1 0 398.492 1.815 20 0 GDADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(-c2nn[nH]n2)s1 ZINC000823261295 606580066 /nfs/dbraw/zinc/58/00/66/606580066.db2.gz GERIBAOXWFRWKP-UHFFFAOYSA-N 1 0 398.492 1.815 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)s1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823483812 606581507 /nfs/dbraw/zinc/58/15/07/606581507.db2.gz ODWYWQRQLKETEA-UHFFFAOYSA-N 1 0 376.486 1.645 20 0 GDADRO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822478952 606617095 /nfs/dbraw/zinc/61/70/95/606617095.db2.gz WFUYZAPOBYGRGA-QGZVFWFLSA-N 1 0 380.456 1.152 20 0 GDADRO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000822477179 606617303 /nfs/dbraw/zinc/61/73/03/606617303.db2.gz IVUSAXVDLXMUBE-ZDUSSCGKSA-N 1 0 386.485 1.926 20 0 GDADRO CC[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1cccc(C)c1 ZINC000820909632 606618811 /nfs/dbraw/zinc/61/88/11/606618811.db2.gz YXTRTBAVAUZTPS-LSDHHAIUSA-N 1 0 382.472 1.861 20 0 GDADRO O=C1CN(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000823536100 606632301 /nfs/dbraw/zinc/63/23/01/606632301.db2.gz RQVYMQCRNXBEFF-CALCHBBNSA-N 1 0 395.467 1.710 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)C[N@@H+]1C1CC1 ZINC000820659180 606635696 /nfs/dbraw/zinc/63/56/96/606635696.db2.gz XBOHTYBPUHHYEM-MWLCHTKSSA-N 1 0 389.847 1.200 20 0 GDADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820650656 606636326 /nfs/dbraw/zinc/63/63/26/606636326.db2.gz XDUFTVNJJYJDSP-MJBXVCDLSA-N 1 0 378.502 1.511 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823154809 606671653 /nfs/dbraw/zinc/67/16/53/606671653.db2.gz KQSJNTDIZUQSAG-UHFFFAOYSA-N 1 0 399.405 1.934 20 0 GDADRO CC1(C2CC[NH+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC2)OCCO1 ZINC000820612857 606720261 /nfs/dbraw/zinc/72/02/61/606720261.db2.gz LQACWIFPRVVZDK-KRWDZBQOSA-N 1 0 398.467 1.447 20 0 GDADRO COc1ncccc1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821919982 606721536 /nfs/dbraw/zinc/72/15/36/606721536.db2.gz IYHPDCVYOMGRSN-UHFFFAOYSA-N 1 0 379.468 1.978 20 0 GDADRO CCC(CC)(CC(=O)OC)[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820882725 606750829 /nfs/dbraw/zinc/75/08/29/606750829.db2.gz YWNDZFFSQMKMMT-UHFFFAOYSA-N 1 0 395.485 1.352 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCCCn1cccn1 ZINC000820788566 606777839 /nfs/dbraw/zinc/77/78/39/606777839.db2.gz JQKZYBRXBTWTJK-OAHLLOKOSA-N 1 0 382.476 1.234 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000820803457 606781930 /nfs/dbraw/zinc/78/19/30/606781930.db2.gz AHQDQZGJXLUCAT-AWEZNQCLSA-N 1 0 376.468 1.856 20 0 GDADRO CCc1ccc(CC[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000821482474 606785945 /nfs/dbraw/zinc/78/59/45/606785945.db2.gz RTLGTOMFLOUNJM-HNNXBMFYSA-N 1 0 378.484 1.972 20 0 GDADRO O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000822917106 606798527 /nfs/dbraw/zinc/79/85/27/606798527.db2.gz NPSGYDYZUSHGPL-HNNXBMFYSA-N 1 0 380.456 1.395 20 0 GDADRO CCN1C(=O)N=NC1C1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821564253 606814032 /nfs/dbraw/zinc/81/40/32/606814032.db2.gz ZMWQEUGBYZAFQD-UHFFFAOYSA-N 1 0 384.444 1.442 20 0 GDADRO O=S(=O)(c1ccc(F)cc1-c1nn[nH]n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000823607221 606844635 /nfs/dbraw/zinc/84/46/35/606844635.db2.gz RQZICZQSGROYBN-CQSZACIVSA-N 1 0 394.476 1.645 20 0 GDADRO COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821841685 606853539 /nfs/dbraw/zinc/85/35/39/606853539.db2.gz LSLIPEHZRAEEIM-IRXDYDNUSA-N 1 0 385.424 1.241 20 0 GDADRO CN(C)C(=O)COc1cccc(C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821578053 606854146 /nfs/dbraw/zinc/85/41/46/606854146.db2.gz LFRDJSNYQDHJPR-SFHVURJKSA-N 1 0 396.451 1.157 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819939690 606855267 /nfs/dbraw/zinc/85/52/67/606855267.db2.gz IFKDZYQHYGLOHF-HZPDHXFCSA-N 1 0 388.472 1.889 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820684197 606890628 /nfs/dbraw/zinc/89/06/28/606890628.db2.gz MZIDCBPRHHOSOF-QKLQHJQFSA-N 1 0 399.543 1.391 20 0 GDADRO CCc1nnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821523638 606918749 /nfs/dbraw/zinc/91/87/49/606918749.db2.gz ZJWCTTVJTJLYFE-CQSZACIVSA-N 1 0 386.504 1.473 20 0 GDADRO Cc1nnc2cc(N3CCC[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)ncn12 ZINC000822514738 606969789 /nfs/dbraw/zinc/96/97/89/606969789.db2.gz HIPKKKRGPGSYBV-UHFFFAOYSA-N 1 0 390.455 1.325 20 0 GDADRO [NH2+]=C(NOCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1COc2ccccc2O1 ZINC000822846288 606982859 /nfs/dbraw/zinc/98/28/59/606982859.db2.gz UNHDRSBXWICKMZ-HNNXBMFYSA-N 1 0 395.379 1.144 20 0 GDADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000819996932 606997521 /nfs/dbraw/zinc/99/75/21/606997521.db2.gz NYEDFGHWZRPFNV-UHFFFAOYSA-N 1 0 388.472 1.253 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 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/nfs/dbraw/zinc/09/80/32/607098032.db2.gz FXAZBDZBZNEFNC-JLSDUUJJSA-N 1 0 392.467 1.752 20 0 GDADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000820716589 607098063 /nfs/dbraw/zinc/09/80/63/607098063.db2.gz JVGHRPNBOKTWGY-CKEIUWERSA-N 1 0 380.456 1.973 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000820716744 607098200 /nfs/dbraw/zinc/09/82/00/607098200.db2.gz KUMOHJJLDKYCTI-CKEIUWERSA-N 1 0 380.456 1.973 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c1C ZINC000822540813 607105132 /nfs/dbraw/zinc/10/51/32/607105132.db2.gz HEHHBRYYWOEQFW-CFVMTHIKSA-N 1 0 387.488 1.820 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1nnc(-c3ccccc3)s1)C2 ZINC000823767768 607130569 /nfs/dbraw/zinc/13/05/69/607130569.db2.gz XBGUKBOQKOOTRL-LLVKDONJSA-N 1 0 394.468 1.413 20 0 GDADRO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@@H]1N1CCOCC1 ZINC000820993912 607177387 /nfs/dbraw/zinc/17/73/87/607177387.db2.gz BZXDKABBQPEUOW-DAYGRLMNSA-N 1 0 399.499 1.236 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000820129060 607180678 /nfs/dbraw/zinc/18/06/78/607180678.db2.gz WPUCBMBMWFYHHS-NSHDSACASA-N 1 0 391.863 1.305 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821094336 607183264 /nfs/dbraw/zinc/18/32/64/607183264.db2.gz GUTLQXTVLSKZNA-UHFFFAOYSA-N 1 0 379.852 1.307 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623423 607230752 /nfs/dbraw/zinc/23/07/52/607230752.db2.gz LFGGARPWSAFHMX-TZMCWYRMSA-N 1 0 380.449 1.111 20 0 GDADRO C[C@H](CNC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)N1CC[NH+](C)CC1 ZINC000824422389 607833866 /nfs/dbraw/zinc/83/38/66/607833866.db2.gz ZDQYIALJOWMOMH-SNVBAGLBSA-N 1 0 398.298 1.539 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476625 607844176 /nfs/dbraw/zinc/84/41/76/607844176.db2.gz LKNYSZZQQMQUBJ-MLHJIOFPSA-N 1 0 394.479 1.909 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476626 607844333 /nfs/dbraw/zinc/84/43/33/607844333.db2.gz LKNYSZZQQMQUBJ-TVFCKZIOSA-N 1 0 394.479 1.909 20 0 GDADRO O[C@H](COc1ccccc1-c1nn[nH]n1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000826505200 607870631 /nfs/dbraw/zinc/87/06/31/607870631.db2.gz PHXYQIHXNLLHPQ-KRWDZBQOSA-N 1 0 380.452 1.429 20 0 GDADRO Cn1cnc(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)n1 ZINC000530388448 649972311 /nfs/dbraw/zinc/97/23/11/649972311.db2.gz QJSJVSCSXRAORQ-UHFFFAOYSA-N 1 0 380.290 1.747 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[nH]n3)C2)CC1 ZINC000826022354 607907196 /nfs/dbraw/zinc/90/71/96/607907196.db2.gz KPPWHDSYWQMOOT-ZDUSSCGKSA-N 1 0 394.476 1.358 20 0 GDADRO COc1ccc(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1-c1nn[nH]n1 ZINC000826198070 607912026 /nfs/dbraw/zinc/91/20/26/607912026.db2.gz LCNSVAXAGMMZPW-INIZCTEOSA-N 1 0 399.499 1.749 20 0 GDADRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825523221 607921339 /nfs/dbraw/zinc/92/13/39/607921339.db2.gz OPBSQBFEFXVAHK-ZDUSSCGKSA-N 1 0 388.428 1.364 20 0 GDADRO CCCC(=O)NC1CC[NH+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)CC1 ZINC000825224821 607921389 /nfs/dbraw/zinc/92/13/89/607921389.db2.gz CPYAJRODZBFAIF-UHFFFAOYSA-N 1 0 386.456 1.534 20 0 GDADRO CCOCC[N@@H+]1CCN(Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C[C@H]1C ZINC000825599537 607922535 /nfs/dbraw/zinc/92/25/35/607922535.db2.gz NATBGGRMNMOIDS-CQSZACIVSA-N 1 0 388.472 1.196 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000530380902 649972133 /nfs/dbraw/zinc/97/21/33/649972133.db2.gz JDNUXLFXGUVUJX-QWHCGFSZSA-N 1 0 376.475 1.278 20 0 GDADRO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000824167697 607956886 /nfs/dbraw/zinc/95/68/86/607956886.db2.gz SETKNWMUDDKFHH-OAHLLOKOSA-N 1 0 396.455 1.226 20 0 GDADRO CN1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)[C@@H]1c1ccccc1 ZINC000826028807 607977831 /nfs/dbraw/zinc/97/78/31/607977831.db2.gz IFYTYJWFDGXFAD-JQFCIGGWSA-N 1 0 379.472 1.140 20 0 GDADRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191316 607983356 /nfs/dbraw/zinc/98/33/56/607983356.db2.gz CPDNJOZLITYDHJ-SCLBCKFNSA-N 1 0 380.452 1.870 20 0 GDADRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191314 607983453 /nfs/dbraw/zinc/98/34/53/607983453.db2.gz CPDNJOZLITYDHJ-ACJLOTCBSA-N 1 0 380.452 1.870 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccccc2)c1-c1nn[nH]n1 ZINC000826073252 608019437 /nfs/dbraw/zinc/01/94/37/608019437.db2.gz LNWYCJONMPQQKQ-UHFFFAOYSA-N 1 0 376.371 1.472 20 0 GDADRO CC[C@@H](Nc1ccccc1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825148692 608020322 /nfs/dbraw/zinc/02/03/22/608020322.db2.gz SAGCNEYUHZEZJB-CYBMUJFWSA-N 1 0 383.460 1.571 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CSc3ccccc32)c1-c1nn[nH]n1 ZINC000826077901 608020646 /nfs/dbraw/zinc/02/06/46/608020646.db2.gz ZLIFRORPCWMKFC-NSHDSACASA-N 1 0 384.469 1.570 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc(OC)cc2)c1-c1nn[nH]n1 ZINC000826077371 608021287 /nfs/dbraw/zinc/02/12/87/608021287.db2.gz GBENNKHCUQPSOF-UHFFFAOYSA-N 1 0 398.471 1.712 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(-c3ccoc3)n2)c1-c1nn[nH]n1 ZINC000826082867 608021676 /nfs/dbraw/zinc/02/16/76/608021676.db2.gz CGBKVMAPLQAYCG-UHFFFAOYSA-N 1 0 399.440 1.711 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](O)c1ccc2ccccc2c1 ZINC000825934672 608035743 /nfs/dbraw/zinc/03/57/43/608035743.db2.gz PQCDGQSYEBYDPT-QGZVFWFLSA-N 1 0 392.467 1.923 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)c1c(F)cccc1F ZINC000825933949 608036870 /nfs/dbraw/zinc/03/68/70/608036870.db2.gz JMTJVQLUKSGVCF-LBPRGKRZSA-N 1 0 378.387 1.048 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](O)c1cccc(Cl)c1 ZINC000825935079 608036996 /nfs/dbraw/zinc/03/69/96/608036996.db2.gz UMNKLVIYHBJRCL-CYBMUJFWSA-N 1 0 376.852 1.423 20 0 GDADRO C[C@H]1CN(CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)CC[N@@H+]1C ZINC000824985006 608042165 /nfs/dbraw/zinc/04/21/65/608042165.db2.gz QDIFKSKAFMJUFN-LBPRGKRZSA-N 1 0 389.529 1.772 20 0 GDADRO C[C@H](CNC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)[NH+]1CCCCC1 ZINC000824420564 608061732 /nfs/dbraw/zinc/06/17/32/608061732.db2.gz MPVKXQUZILTDBN-QAPCUYQASA-N 1 0 399.499 1.824 20 0 GDADRO C[N@H+](CCNC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)C1CCCC1 ZINC000825942125 608062779 /nfs/dbraw/zinc/06/27/79/608062779.db2.gz XYLPNNIXWLDJNO-SFHVURJKSA-N 1 0 399.499 1.824 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H]1CC[C@@H]3SCCS[C@H]13)C2 ZINC000826527009 608101686 /nfs/dbraw/zinc/10/16/86/608101686.db2.gz VRNOPNJSWNMROO-ZBAXXZLZSA-N 1 0 378.531 1.074 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)C1CCC(NC(C)=O)CC1 ZINC000826175463 608130434 /nfs/dbraw/zinc/13/04/34/608130434.db2.gz GHVFNUPLYLDVMX-UHFFFAOYSA-N 1 0 388.472 1.633 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000826175350 608131386 /nfs/dbraw/zinc/13/13/86/608131386.db2.gz BKELGIVEGXZGGI-OAHLLOKOSA-N 1 0 389.456 1.729 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1snc(Cl)c1-c1nn[nH]n1 ZINC000825839491 608182642 /nfs/dbraw/zinc/18/26/42/608182642.db2.gz HFVPJWDJGCVKLB-VIFPVBQESA-N 1 0 384.897 1.331 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000826504564 608209864 /nfs/dbraw/zinc/20/98/64/608209864.db2.gz YWXCVCVRMYTTJQ-IBGZPJMESA-N 1 0 394.479 1.956 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)CNc3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000826044353 608215962 /nfs/dbraw/zinc/21/59/62/608215962.db2.gz DYMVREBCJXWXSO-UHFFFAOYSA-N 1 0 393.455 1.064 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1)c1ccccc1 ZINC000825405737 608216868 /nfs/dbraw/zinc/21/68/68/608216868.db2.gz DKFUTUFUPLFQGN-KRWDZBQOSA-N 1 0 394.483 1.873 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC000825865407 608221564 /nfs/dbraw/zinc/22/15/64/608221564.db2.gz CVBXRXAUWMZFSK-UHFFFAOYSA-N 1 0 398.446 1.403 20 0 GDADRO CC[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825395958 608253816 /nfs/dbraw/zinc/25/38/16/608253816.db2.gz YOBBPDCBLHRVQC-RDTXWAMCSA-N 1 0 384.484 1.887 20 0 GDADRO CCC[C@H]1CN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825255574 608313550 /nfs/dbraw/zinc/31/35/50/608313550.db2.gz XOQHZCSOHFLLNZ-IBSYWUHOSA-N 1 0 384.484 1.839 20 0 GDADRO COCCOC[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000826160869 608314123 /nfs/dbraw/zinc/31/41/23/608314123.db2.gz KJKDIVZOUNNCOU-INIZCTEOSA-N 1 0 397.483 1.846 20 0 GDADRO CCC[C@@H]1CN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000825253100 608326780 /nfs/dbraw/zinc/32/67/80/608326780.db2.gz LPGSEZQYQZIIBR-QGZVFWFLSA-N 1 0 387.488 1.509 20 0 GDADRO CC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000825203698 608338363 /nfs/dbraw/zinc/33/83/63/608338363.db2.gz OJRFLMMWHIPCHZ-WCQYABFASA-N 1 0 393.879 1.829 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@H]21 ZINC000826033979 608339276 /nfs/dbraw/zinc/33/92/76/608339276.db2.gz MSIWBZIDOULXQG-CZUORRHYSA-N 1 0 394.476 1.252 20 0 GDADRO C[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C(C)(C)C1 ZINC000826038397 608379066 /nfs/dbraw/zinc/37/90/66/608379066.db2.gz MYJBTQDAYXFAOR-UHFFFAOYSA-N 1 0 389.529 1.772 20 0 GDADRO C[C@@H](CN1CCOCC1)[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824420093 608402107 /nfs/dbraw/zinc/40/21/07/608402107.db2.gz FVUZHIIQCMPNSI-HNNXBMFYSA-N 1 0 399.499 1.238 20 0 GDADRO O[C@@H](C[NH+]1CCC(CNc2ccc(-c3nn[nH]n3)nn2)CC1)c1ccccc1 ZINC000826502366 608414529 /nfs/dbraw/zinc/41/45/29/608414529.db2.gz BQZQCYIFGWSFAD-KRWDZBQOSA-N 1 0 380.456 1.514 20 0 GDADRO Fc1ccc(OCC[NH+]2CCC(Nc3ccc(-c4nn[nH]n4)nn3)CC2)cc1 ZINC000826375837 608430976 /nfs/dbraw/zinc/43/09/76/608430976.db2.gz DMIQRDXXBZWCFG-UHFFFAOYSA-N 1 0 384.419 1.751 20 0 GDADRO COc1ccc([C@H](CCO)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826189508 608431811 /nfs/dbraw/zinc/43/18/11/608431811.db2.gz XKASACSDJNRBSL-APWZRJJASA-N 1 0 399.451 1.328 20 0 GDADRO COc1ccc([C@H](CCO)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826188708 608431864 /nfs/dbraw/zinc/43/18/64/608431864.db2.gz DMUUIMKWDQQVSF-SFHVURJKSA-N 1 0 396.451 1.917 20 0 GDADRO CC[C@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccccc1OCC(=O)NC ZINC000825149494 608457770 /nfs/dbraw/zinc/45/77/70/608457770.db2.gz YVFBYTVHGYAVPS-HNNXBMFYSA-N 1 0 381.440 1.627 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824617869 608487447 /nfs/dbraw/zinc/48/74/47/608487447.db2.gz KKFPFCNHMCWGNH-ZDUSSCGKSA-N 1 0 386.481 1.968 20 0 GDADRO COCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826164981 608488744 /nfs/dbraw/zinc/48/87/44/608488744.db2.gz ZVUVKABKWADFLZ-AWEZNQCLSA-N 1 0 380.452 1.980 20 0 GDADRO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)cn1 ZINC000826362305 608515037 /nfs/dbraw/zinc/51/50/37/608515037.db2.gz MLEMMQBKDUPCFV-ROUUACIJSA-N 1 0 392.467 1.763 20 0 GDADRO CCCCNC(=O)C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825284979 608533536 /nfs/dbraw/zinc/53/35/36/608533536.db2.gz FUGJHJZPNIYYKN-UHFFFAOYSA-N 1 0 382.472 1.643 20 0 GDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826452273 608551555 /nfs/dbraw/zinc/55/15/55/608551555.db2.gz NJZOXNLLFXBHLE-UHFFFAOYSA-N 1 0 375.352 1.025 20 0 GDADRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824064445 608689318 /nfs/dbraw/zinc/68/93/18/608689318.db2.gz IJAPSXKOMDPFAI-CQSZACIVSA-N 1 0 396.499 1.889 20 0 GDADRO CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000530536638 649978229 /nfs/dbraw/zinc/97/82/29/649978229.db2.gz GCBFXDANJOJLKU-UHFFFAOYSA-N 1 0 387.527 1.166 20 0 GDADRO C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824586038 609141031 /nfs/dbraw/zinc/14/10/31/609141031.db2.gz WMBBVKSWFRIQEG-JSGCOSHPSA-N 1 0 375.452 1.244 20 0 GDADRO CCC[C@H]1C[C@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)CCO1 ZINC000825255708 609142045 /nfs/dbraw/zinc/14/20/45/609142045.db2.gz YNZLLTZSZIXGCS-NEPJUHHUSA-N 1 0 376.465 1.276 20 0 GDADRO Cc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259050 609154163 /nfs/dbraw/zinc/15/41/63/609154163.db2.gz GAYIMFVBTRNYQB-CYBMUJFWSA-N 1 0 380.456 1.573 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257973 609155240 /nfs/dbraw/zinc/15/52/40/609155240.db2.gz VMMTXLGKCMPSTQ-YOEHRIQHSA-N 1 0 392.467 1.670 20 0 GDADRO O=C(c1sccc1-c1nn[nH]n1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826475547 609174427 /nfs/dbraw/zinc/17/44/27/609174427.db2.gz JPGCOCWEODUXQX-UHFFFAOYSA-N 1 0 390.513 1.893 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000825851964 609187896 /nfs/dbraw/zinc/18/78/96/609187896.db2.gz ZDPOCZFKWAACHU-ROUUACIJSA-N 1 0 380.452 1.189 20 0 GDADRO CCN1CCO[C@H](C[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825465095 609193792 /nfs/dbraw/zinc/19/37/92/609193792.db2.gz IBNRDBCVJXCREJ-LJQANCHMSA-N 1 0 385.516 1.141 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1cccc(O)c1 ZINC000825866442 609200401 /nfs/dbraw/zinc/20/04/01/609200401.db2.gz YMQZNXWHUXGMNJ-UHFFFAOYSA-N 1 0 380.452 1.705 20 0 GDADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825865994 609210535 /nfs/dbraw/zinc/21/05/35/609210535.db2.gz OTJRAYGZAKPGIP-SFHVURJKSA-N 1 0 398.442 1.630 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)CC1 ZINC000825459430 609226752 /nfs/dbraw/zinc/22/67/52/609226752.db2.gz KNFSOSMTGICLFO-UHFFFAOYSA-N 1 0 380.456 1.529 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000824555049 609238850 /nfs/dbraw/zinc/23/88/50/609238850.db2.gz UINISSXHGFZSTF-JKIFEVAISA-N 1 0 392.529 1.966 20 0 GDADRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc(-c4nn[nH]n4)c3)C2=O)n(C)n1 ZINC000826269629 609241011 /nfs/dbraw/zinc/24/10/11/609241011.db2.gz RNUVXNWDXOAVLX-XJKSGUPXSA-N 1 0 380.456 1.755 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000824978334 609242152 /nfs/dbraw/zinc/24/21/52/609242152.db2.gz VTKQMNVLZLOMSD-ACJLOTCBSA-N 1 0 383.500 1.722 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824885342 609245635 /nfs/dbraw/zinc/24/56/35/609245635.db2.gz SCGIESGEAMUSGF-MDASCCDHSA-N 1 0 392.463 1.679 20 0 GDADRO CN(C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825812265 609248464 /nfs/dbraw/zinc/24/84/64/609248464.db2.gz JMODGEGYYYSXOQ-RTBURBONSA-N 1 0 392.463 1.633 20 0 GDADRO COc1cc(C)nc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000826178376 609261518 /nfs/dbraw/zinc/26/15/18/609261518.db2.gz VPWYGXSGTGXGJE-UHFFFAOYSA-N 1 0 380.456 1.732 20 0 GDADRO CCC[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[NH+](C)C ZINC000825225166 609265167 /nfs/dbraw/zinc/26/51/67/609265167.db2.gz NALXWPKEGNDAMZ-HZPDHXFCSA-N 1 0 385.472 1.209 20 0 GDADRO C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)C1=CC[N@H+](C)CC1 ZINC000824487828 609316420 /nfs/dbraw/zinc/31/64/20/609316420.db2.gz CQARCGAWBNANSJ-RDTXWAMCSA-N 1 0 397.483 1.600 20 0 GDADRO Cn1cc(C[NH2+]Cc2ccc(C(N)=O)cc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361831 609335825 /nfs/dbraw/zinc/33/58/25/609335825.db2.gz RBARJCSOFBLVOQ-UHFFFAOYSA-N 1 0 388.435 1.656 20 0 GDADRO CN(CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)CC(F)(F)F ZINC000825941434 609338437 /nfs/dbraw/zinc/33/84/37/609338437.db2.gz IKYMMHYNGMYTCJ-UHFFFAOYSA-N 1 0 394.405 1.851 20 0 GDADRO Cn1cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361477 609338916 /nfs/dbraw/zinc/33/89/16/609338916.db2.gz YEGSBIYTZSXSKM-ZWKOTPCHSA-N 1 0 394.483 1.220 20 0 GDADRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826153066 609344546 /nfs/dbraw/zinc/34/45/46/609344546.db2.gz ASYCKEASUHFWJC-LBPRGKRZSA-N 1 0 376.436 1.684 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361459 609345084 /nfs/dbraw/zinc/34/50/84/609345084.db2.gz XVHHOPDEMUTNBH-FXAWDEMLSA-N 1 0 395.467 1.695 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825210819 609347958 /nfs/dbraw/zinc/34/79/58/609347958.db2.gz JNJUHIZUFSLSEA-HWWQOWPSSA-N 1 0 396.492 1.717 20 0 GDADRO CNC(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826060211 609356391 /nfs/dbraw/zinc/35/63/91/609356391.db2.gz IRBYWPQPUYZZIY-UHFFFAOYSA-N 1 0 379.262 1.587 20 0 GDADRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000824708640 609358625 /nfs/dbraw/zinc/35/86/25/609358625.db2.gz ZGNRROKCZTVGLO-LLVKDONJSA-N 1 0 381.278 1.128 20 0 GDADRO COC(=O)C1=C(C)O[C@H](C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826129432 609358857 /nfs/dbraw/zinc/35/88/57/609358857.db2.gz RWRZOOSCESUPBL-KRWDZBQOSA-N 1 0 399.451 1.946 20 0 GDADRO Cc1noc(C2(C)CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)n1 ZINC000826339670 609369429 /nfs/dbraw/zinc/36/94/29/609369429.db2.gz NXJBVJBFBONPFC-UHFFFAOYSA-N 1 0 379.428 1.760 20 0 GDADRO COc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)ccc1Br ZINC000530843100 649981788 /nfs/dbraw/zinc/98/17/88/649981788.db2.gz PYYMEALWKVCMRK-LLVKDONJSA-N 1 0 384.274 1.854 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000530840783 649982036 /nfs/dbraw/zinc/98/20/36/649982036.db2.gz FHYZCVQQPBNPAP-OAHLLOKOSA-N 1 0 388.921 1.230 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1Cl)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000826494753 609541737 /nfs/dbraw/zinc/54/17/37/609541737.db2.gz NUZZAQYIIFAASQ-ZDUSSCGKSA-N 1 0 396.904 1.769 20 0 GDADRO Cc1c(Cl)cnc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1-c1nn[nH]n1 ZINC000826239501 609545158 /nfs/dbraw/zinc/54/51/58/609545158.db2.gz JJGYJIINCLWMNK-ZDUSSCGKSA-N 1 0 392.895 1.578 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826033754 609545724 /nfs/dbraw/zinc/54/57/24/609545724.db2.gz JHWLWOGOTAVAJR-KGLIPLIRSA-N 1 0 396.904 1.767 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824978424 609549842 /nfs/dbraw/zinc/54/98/42/609549842.db2.gz VUZVRJKROHANQG-MFKMUULPSA-N 1 0 384.893 1.481 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000826028854 609560540 /nfs/dbraw/zinc/56/05/40/609560540.db2.gz JNGFTOFFGGEYDK-TZMCWYRMSA-N 1 0 396.904 1.625 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000531079751 649986830 /nfs/dbraw/zinc/98/68/30/649986830.db2.gz NUQMEXYETSEHHR-LBPRGKRZSA-N 1 0 380.798 1.920 20 0 GDADRO COc1cc(C(=O)N(CC[NH+](C)C)C2CCCC2)sc1S(N)(=O)=O ZINC000531777512 649996819 /nfs/dbraw/zinc/99/68/19/649996819.db2.gz PUZCZBMLKJDBIV-UHFFFAOYSA-N 1 0 375.516 1.351 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CCSC1 ZINC000533321224 650048232 /nfs/dbraw/zinc/04/82/32/650048232.db2.gz MHJZNVKDRFRWAO-RISCZKNCSA-N 1 0 382.452 1.276 20 0 GDADRO CNC(=O)CC1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000533447399 650052892 /nfs/dbraw/zinc/05/28/92/650052892.db2.gz XUKREGDEOGVISO-UHFFFAOYSA-N 1 0 393.285 1.805 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)co1 ZINC000534493744 650222776 /nfs/dbraw/zinc/22/27/76/650222776.db2.gz JLXCYZJMPJYCCL-AWEZNQCLSA-N 1 0 385.873 1.874 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000535157074 650243496 /nfs/dbraw/zinc/24/34/96/650243496.db2.gz WMPHICZZTLKXEJ-UHFFFAOYSA-N 1 0 389.880 1.408 20 0 GDADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000538783351 650322618 /nfs/dbraw/zinc/32/26/18/650322618.db2.gz KYNVBKFPKVYYOV-HNNXBMFYSA-N 1 0 376.906 1.812 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539316860 650332668 /nfs/dbraw/zinc/33/26/68/650332668.db2.gz BHWMWATUHHUTHI-KBPBESRZSA-N 1 0 381.416 1.903 20 0 GDADRO C[C@@H]1CN(CC(F)(F)F)CCN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000916146817 660187120 /nfs/dbraw/zinc/18/71/20/660187120.db2.gz ZEFVJBFVLTZITD-CABCVRRESA-N 1 0 383.480 1.618 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000540166179 650350847 /nfs/dbraw/zinc/35/08/47/650350847.db2.gz MTYRAMXXQYFAGT-CYBMUJFWSA-N 1 0 389.543 1.523 20 0 GDADRO COCCCN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000540263826 650353695 /nfs/dbraw/zinc/35/36/95/650353695.db2.gz AADWRCRUHBIYRU-OAGGEKHMSA-N 1 0 375.535 1.094 20 0 GDADRO CCC1(CC)[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)[C@H](C)[C@@H]1OC ZINC000540606955 650365247 /nfs/dbraw/zinc/36/52/47/650365247.db2.gz KHIUEJQGHHYHHY-NXOAAHMSSA-N 1 0 376.563 1.904 20 0 GDADRO CN(CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)S(=O)(=O)c1ccc(Cl)s1 ZINC000540913257 650373094 /nfs/dbraw/zinc/37/30/94/650373094.db2.gz HVVZYNRAIPTVLN-RYUDHWBXSA-N 1 0 391.946 1.575 20 0 GDADRO CC(C)Sc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000540964818 650374785 /nfs/dbraw/zinc/37/47/85/650374785.db2.gz BNPBRRCCNOULCJ-MSOLQXFVSA-N 1 0 384.567 1.775 20 0 GDADRO C[C@H](C[S@](C)=O)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000541410506 650383995 /nfs/dbraw/zinc/38/39/95/650383995.db2.gz UDUKJYYKGYPBRI-SHZVTRLKSA-N 1 0 383.539 1.057 20 0 GDADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000543939011 650432389 /nfs/dbraw/zinc/43/23/89/650432389.db2.gz UGOGESVBNYXUQK-SNVBAGLBSA-N 1 0 382.258 1.946 20 0 GDADRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000545506047 650459014 /nfs/dbraw/zinc/45/90/14/650459014.db2.gz GAZGIHKNWLZSEA-CABCVRRESA-N 1 0 398.301 1.725 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545881000 650463966 /nfs/dbraw/zinc/46/39/66/650463966.db2.gz YEPBFVHAUAYNTO-INIZCTEOSA-N 1 0 384.274 1.133 20 0 GDADRO Ic1cnc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc1 ZINC000545916588 650466103 /nfs/dbraw/zinc/46/61/03/650466103.db2.gz WDJXPUZICPWJKC-NSHDSACASA-N 1 0 388.253 1.994 20 0 GDADRO COCC[N@H+](C)CCNc1ncnc2cccc(I)c21 ZINC000546574604 650479383 /nfs/dbraw/zinc/47/93/83/650479383.db2.gz AITBWZUGYGTBAR-UHFFFAOYSA-N 1 0 386.237 2.225 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000546589269 650480065 /nfs/dbraw/zinc/48/00/65/650480065.db2.gz UFEWJSBFZNAYEK-AWEZNQCLSA-N 1 0 390.665 1.224 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000546780337 650486243 /nfs/dbraw/zinc/48/62/43/650486243.db2.gz ZQYRZYASEMLOAA-UHFFFAOYSA-N 1 0 388.555 1.881 20 0 GDADRO C[C@H]1CN(c2cc(Br)cc(F)c2C(N)=O)CC[N@@H+]1CC(C)(C)O ZINC000547709021 650512581 /nfs/dbraw/zinc/51/25/81/650512581.db2.gz HISPUWTVQSFFIV-JTQLQIEISA-N 1 0 388.281 1.969 20 0 GDADRO CN1C[C@@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC1=O ZINC000547826657 650516889 /nfs/dbraw/zinc/51/68/89/650516889.db2.gz WMGFWDYZSXVLBJ-WCQYABFASA-N 1 0 387.299 1.878 20 0 GDADRO CN1C[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC1=O ZINC000547826658 650517089 /nfs/dbraw/zinc/51/70/89/650517089.db2.gz WMGFWDYZSXVLBJ-YPMHNXCESA-N 1 0 387.299 1.878 20 0 GDADRO O=C(Cc1ccc(Br)cc1O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000548077075 650530025 /nfs/dbraw/zinc/53/00/25/650530025.db2.gz PURYBKGYCMORDM-CYBMUJFWSA-N 1 0 383.286 1.878 20 0 GDADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000548187350 650533629 /nfs/dbraw/zinc/53/36/29/650533629.db2.gz QHCIBQVDSWYHJA-HNNXBMFYSA-N 1 0 375.535 1.144 20 0 GDADRO Cc1csc(-c2cccc(S(=O)(=O)NCCN3CC[NH+](C)CC3)c2)n1 ZINC000548839844 650566039 /nfs/dbraw/zinc/56/60/39/650566039.db2.gz YXYLXRARWPTSPN-UHFFFAOYSA-N 1 0 380.539 1.644 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ncc(C(F)(F)F)s2)C1 ZINC000549289672 650574378 /nfs/dbraw/zinc/57/43/78/650574378.db2.gz ZUGITBPMKPXPDV-SECBINFHSA-N 1 0 379.408 1.871 20 0 GDADRO C[C@@H](COC1CCCC1)CS(=O)(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000549427617 650577030 /nfs/dbraw/zinc/57/70/30/650577030.db2.gz NKRFLVBRLTUCDF-INIZCTEOSA-N 1 0 375.579 1.527 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550838977 650597458 /nfs/dbraw/zinc/59/74/58/650597458.db2.gz QUKXGCRZUMVSHG-HNNXBMFYSA-N 1 0 375.947 1.913 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000551228481 650601976 /nfs/dbraw/zinc/60/19/76/650601976.db2.gz FBNJFMAJMKOGJA-JLLWLGSASA-N 1 0 393.303 1.287 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000551854264 650613612 /nfs/dbraw/zinc/61/36/12/650613612.db2.gz UNLQIZMPIBFMDZ-DOMZBBRYSA-N 1 0 394.313 1.849 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)NCC[NH+](C)C ZINC000552082750 650619106 /nfs/dbraw/zinc/61/91/06/650619106.db2.gz APBQQYIGPJWXOX-VHSXEESVSA-N 1 0 376.320 1.797 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)NCc1sccc1Br ZINC000552882590 650633897 /nfs/dbraw/zinc/63/38/97/650633897.db2.gz SMWWQUHEVNJEDC-UHFFFAOYSA-N 1 0 392.319 1.211 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000554183424 650670401 /nfs/dbraw/zinc/67/04/01/650670401.db2.gz CONVVEBSDMIHKD-CYBMUJFWSA-N 1 0 397.317 1.164 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000554375022 650673993 /nfs/dbraw/zinc/67/39/93/650673993.db2.gz FWXRVOXXBWWBOM-DZGCQCFKSA-N 1 0 389.543 1.012 20 0 GDADRO O=C(CNC(=O)c1ncccc1Br)NCC[NH+]1CCCCCC1 ZINC000554455067 650675417 /nfs/dbraw/zinc/67/54/17/650675417.db2.gz XSIAAFLYHKEDFY-UHFFFAOYSA-N 1 0 383.290 1.566 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H](C)C1 ZINC000554556465 650677512 /nfs/dbraw/zinc/67/75/12/650677512.db2.gz RRUQRYNRDCRRGA-QWHCGFSZSA-N 1 0 395.301 1.344 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000554566636 650677781 /nfs/dbraw/zinc/67/77/81/650677781.db2.gz XYAXDSFYOGIPMP-NSHDSACASA-N 1 0 380.290 1.691 20 0 GDADRO Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)CC2 ZINC000554591848 650678224 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CSc1nnc(CNC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)s1 ZINC000556021001 650698303 /nfs/dbraw/zinc/69/83/03/650698303.db2.gz GBMIMRUGTMKLJU-UHFFFAOYSA-N 1 0 383.543 1.399 20 0 GDADRO C[C@@H](NC1CC[NH+](CCN2CCOCC2)CC1)c1ncc(Br)cn1 ZINC000556202328 650700109 /nfs/dbraw/zinc/70/01/09/650700109.db2.gz QJSRQLUFGUJZEG-CQSZACIVSA-N 1 0 398.349 1.686 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]Cc2cccc(I)c2)CC1 ZINC000556385006 650703813 /nfs/dbraw/zinc/70/38/13/650703813.db2.gz DIDOZTMXCNVRAA-UHFFFAOYSA-N 1 0 395.262 1.321 20 0 GDADRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ncc(Br)cc1F ZINC000556606071 650707654 /nfs/dbraw/zinc/70/76/54/650707654.db2.gz RHCYWFNNDSPONC-VIFPVBQESA-N 1 0 381.267 1.574 20 0 GDADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000556818690 650711856 /nfs/dbraw/zinc/71/18/56/650711856.db2.gz OVLGSFKIKCDAQY-UHFFFAOYSA-N 1 0 389.543 1.221 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)s1 ZINC000557205076 650721270 /nfs/dbraw/zinc/72/12/70/650721270.db2.gz 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384.274 1.119 20 0 GDADRO CC[N@H+](C)C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000566952536 650876041 /nfs/dbraw/zinc/87/60/41/650876041.db2.gz FOJYYLSSASSJEN-GFCCVEGCSA-N 1 0 381.951 1.020 20 0 GDADRO [NH3+]CC[C@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)C(F)F ZINC000566914181 650873030 /nfs/dbraw/zinc/87/30/30/650873030.db2.gz AJASXEZSVHUNBO-QMMMGPOBSA-N 1 0 378.173 1.492 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000567222694 650893357 /nfs/dbraw/zinc/89/33/57/650893357.db2.gz WIYGTOGRRYFNFQ-CQSZACIVSA-N 1 0 384.527 1.120 20 0 GDADRO C[NH+]1CCN(c2cccc(Cl)c2CN[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000567241199 650894626 /nfs/dbraw/zinc/89/46/26/650894626.db2.gz RRWCOZOXVXQNNW-AWEZNQCLSA-N 1 0 386.949 1.215 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)s1 ZINC000567250494 650895597 /nfs/dbraw/zinc/89/55/97/650895597.db2.gz MLEVBSXNUSNYKH-CQSZACIVSA-N 1 0 387.571 1.825 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000567368116 650902166 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GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000567746458 650918497 /nfs/dbraw/zinc/91/84/97/650918497.db2.gz JDYZPZHQDYEGIF-CQSZACIVSA-N 1 0 384.274 1.155 20 0 GDADRO CN1C(=O)CC[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1=O ZINC000567891542 650927383 /nfs/dbraw/zinc/92/73/83/650927383.db2.gz IVBXCOUSDFEYFJ-DGCLKSJQSA-N 1 0 389.221 1.065 20 0 GDADRO C[C@H]1CN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@H]1[NH3+] ZINC000567908928 650928432 /nfs/dbraw/zinc/92/84/32/650928432.db2.gz RYGFAYUYGRAYCB-GZMMTYOYSA-N 1 0 399.822 1.443 20 0 GDADRO [NH3+]CCCCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000567907990 650928546 /nfs/dbraw/zinc/92/85/46/650928546.db2.gz MHDICXYSYLKWSJ-UHFFFAOYSA-N 1 0 387.811 1.492 20 0 GDADRO S=C(NCCN1CCOCC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064377968 644530507 /nfs/dbraw/zinc/53/05/07/644530507.db2.gz PUQLCRRLYDRFQN-MRXNPFEDSA-N 1 0 382.599 1.756 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000567914115 650929333 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GDADRO Cn1cc([C@@H]2CN([C@@H](C(N)=O)c3ccc(Br)cc3F)C[C@H]2[NH3+])cn1 ZINC000424302146 646173856 /nfs/dbraw/zinc/17/38/56/646173856.db2.gz WXMDJRFSIJYRDD-NWANDNLSSA-N 1 0 396.264 1.275 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000432511227 646189159 /nfs/dbraw/zinc/18/91/59/646189159.db2.gz CHGSGFMYYVNASY-YGRLFVJLSA-N 1 0 394.269 1.549 20 0 GDADRO C[NH+](C)C1(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CCC1 ZINC000438518833 646224067 /nfs/dbraw/zinc/22/40/67/646224067.db2.gz UKGCKILKUVKOFD-UHFFFAOYSA-N 1 0 375.441 1.234 20 0 GDADRO COC(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000438848129 646224628 /nfs/dbraw/zinc/22/46/28/646224628.db2.gz GVJXBHOLBRLSGR-GXFFZTMASA-N 1 0 376.222 1.823 20 0 GDADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)CC1(O)CCOCC1 ZINC000439433740 646230839 /nfs/dbraw/zinc/23/08/39/646230839.db2.gz CGHVEJZKRXWYAQ-AWEZNQCLSA-N 1 0 392.265 1.801 20 0 GDADRO NC(=O)C[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439438950 646231613 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COc1cc(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)sc1S(N)(=O)=O ZINC000912809783 660055122 /nfs/dbraw/zinc/05/51/22/660055122.db2.gz KVPHIYCYEWBIPO-NEPJUHHUSA-N 1 0 389.543 1.597 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3C[C@@]4(C)C[N@H+](C)C[C@@]4(C)C3)cnc2c1Cl ZINC000918359519 660234423 /nfs/dbraw/zinc/23/44/23/660234423.db2.gz CDXMTSGXJOEPNH-IYBDPMFKSA-N 1 0 383.905 1.653 20 0 GDADRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3ccc(Br)nc3F)C[C@]2(C)C1 ZINC000918369697 660234886 /nfs/dbraw/zinc/23/48/86/660234886.db2.gz SWHMTJWQGMZRPJ-KBPBESRZSA-N 1 0 392.294 1.946 20 0 GDADRO Cn1ncc(S(=O)(=O)N2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)c1Br ZINC000918369617 660234896 /nfs/dbraw/zinc/23/48/96/660234896.db2.gz SWGYYKHKEMXUMA-BETUJISGSA-N 1 0 377.308 1.145 20 0 GDADRO COc1cccc(N2CC[NH+](CCSCCS(=O)(=O)N(C)C)CC2)c1 ZINC000918730386 660240113 /nfs/dbraw/zinc/24/01/13/660240113.db2.gz BSRKMOLNUSMZDJ-UHFFFAOYSA-N 1 0 387.571 1.442 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)sc1Br ZINC000918900917 660242622 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CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000443227394 647190657 /nfs/dbraw/zinc/19/06/57/647190657.db2.gz PDUZWWBWQGOXNQ-UHFFFAOYSA-N 1 0 392.319 1.510 20 0 GDADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(F)c2F)CC1 ZINC000443351407 647202960 /nfs/dbraw/zinc/20/29/60/647202960.db2.gz MVVZWFANPLCNNS-JTQLQIEISA-N 1 0 375.803 1.472 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ncn(C)c3Cl)C2)[C@H]1C(C)C ZINC000920295197 660269393 /nfs/dbraw/zinc/26/93/93/660269393.db2.gz JYKQQJYJUIXOLJ-BRXULGCHSA-N 1 0 390.937 1.222 20 0 GDADRO CCc1ncc(S(=O)(=O)N[C@@H]2C[C@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000920303340 660269521 /nfs/dbraw/zinc/26/95/21/660269521.db2.gz OGSAZBWMKQBXTH-UTJXIGIESA-N 1 0 387.571 1.854 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)NCC1CC[NH+](C2CC2)CC1 ZINC000444981358 647261066 /nfs/dbraw/zinc/26/10/66/647261066.db2.gz FOTQTKIZCHUKCB-UHFFFAOYSA-N 1 0 386.543 1.200 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)C[C@@]3(C)CC3(F)F)C2)[C@@H]1C(C)C ZINC000920311236 660270094 /nfs/dbraw/zinc/27/00/94/660270094.db2.gz VDFLVWOYJKWPIW-LJIZCISZSA-N 1 0 380.501 1.821 20 0 GDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000445537043 647268923 /nfs/dbraw/zinc/26/89/23/647268923.db2.gz GMKKQNPBTUNZKH-JTQLQIEISA-N 1 0 382.873 1.441 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCC2([NH+](C)C)CCC2)c(C)s1 ZINC000445850384 647274828 /nfs/dbraw/zinc/27/48/28/647274828.db2.gz SLDXKCPZWAMGHX-UHFFFAOYSA-N 1 0 388.559 1.427 20 0 GDADRO COC(=O)[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(Br)cc1 ZINC000446386776 647287593 /nfs/dbraw/zinc/28/75/93/647287593.db2.gz RJQIJKKIFGMIEK-ZDUSSCGKSA-N 1 0 393.241 1.462 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000452094954 647314639 /nfs/dbraw/zinc/31/46/39/647314639.db2.gz JTROZUVNECTZBE-CQSZACIVSA-N 1 0 389.543 1.040 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453944893 647348145 /nfs/dbraw/zinc/34/81/45/647348145.db2.gz XEWNMFINBKJGNR-SMDDNHRTSA-N 1 0 396.285 1.949 20 0 GDADRO CCS(=O)(=O)NCC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456792866 647404704 /nfs/dbraw/zinc/40/47/04/647404704.db2.gz POFGEIJUTZDNHO-UHFFFAOYSA-N 1 0 389.905 1.691 20 0 GDADRO CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000458208577 647437975 /nfs/dbraw/zinc/43/79/75/647437975.db2.gz XNGSHBXRESINKL-MRXNPFEDSA-N 1 0 387.571 1.700 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000458223796 647438652 /nfs/dbraw/zinc/43/86/52/647438652.db2.gz NETMAXYQTLYJRD-UHFFFAOYSA-N 1 0 382.511 1.719 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c(C)o1 ZINC000458234357 647438771 /nfs/dbraw/zinc/43/87/71/647438771.db2.gz YEZUDWBEIBECST-UHFFFAOYSA-N 1 0 385.511 1.762 20 0 GDADRO Cn1cc(Br)c(CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)n1 ZINC000459006346 647454209 /nfs/dbraw/zinc/45/42/09/647454209.db2.gz DZTNUOSPFFBFGH-UHFFFAOYSA-N 1 0 395.305 1.851 20 0 GDADRO OC[C@@H]1C[N@H+](CCCOc2cccc(I)c2)C[C@@H]1O ZINC000459708363 647465083 /nfs/dbraw/zinc/46/50/83/647465083.db2.gz OTQDINODXNSICQ-FZMZJTMJSA-N 1 0 377.222 1.345 20 0 GDADRO C[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)Oc1ccccc1Br ZINC000460260034 647468975 /nfs/dbraw/zinc/46/89/75/647468975.db2.gz BLEUGRLFQBNOOT-BLLLJJGKSA-N 1 0 386.290 1.582 20 0 GDADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000460893810 647477027 /nfs/dbraw/zinc/47/70/27/647477027.db2.gz KFOYBIIPAOCWOB-UHFFFAOYSA-N 1 0 391.559 1.337 20 0 GDADRO CSC1(CNC(=O)CNS(=O)(=O)c2ccccc2F)CC[NH+](C)CC1 ZINC000460974833 647481551 /nfs/dbraw/zinc/48/15/51/647481551.db2.gz YSQJTNPEXYJOOB-UHFFFAOYSA-N 1 0 389.518 1.048 20 0 GDADRO COc1cc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c(OC)cc1Br ZINC000461894342 647503098 /nfs/dbraw/zinc/50/30/98/647503098.db2.gz JRMCSLQHOPQLPE-LLVKDONJSA-N 1 0 393.303 1.824 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)s1 ZINC000461903644 647503496 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CS(=O)(=O)NCC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000463194820 647551634 /nfs/dbraw/zinc/55/16/34/647551634.db2.gz TVCSHYFQTKVREV-AWEZNQCLSA-N 1 0 380.432 1.622 20 0 GDADRO [NH3+]CCN(CCO)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000466978836 647625636 /nfs/dbraw/zinc/62/56/36/647625636.db2.gz JOXVANUXHCJERM-UHFFFAOYSA-N 1 0 384.196 1.659 20 0 GDADRO C[NH+](C)CC[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)c1cccnc1 ZINC000921479699 660303926 /nfs/dbraw/zinc/30/39/26/660303926.db2.gz QBZZMYQQBAJHQD-OAHLLOKOSA-N 1 0 391.559 1.207 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000921531744 660307460 /nfs/dbraw/zinc/30/74/60/660307460.db2.gz OUQLJCRTQKFXQZ-GJZGRUSLSA-N 1 0 377.551 1.941 20 0 GDADRO CC[NH+]1CCN(CC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000468977318 647688163 /nfs/dbraw/zinc/68/81/63/647688163.db2.gz OUQVYLYQUDQSBV-INIZCTEOSA-N 1 0 395.345 1.782 20 0 GDADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](NS(C)(=O)=O)[C@@H](C)CC)CC1 ZINC000469479147 647712504 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C[NH+](C)CCOC1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000476329704 647778258 /nfs/dbraw/zinc/77/82/58/647778258.db2.gz CTIZIECXKBDBDM-UHFFFAOYSA-N 1 0 384.424 1.177 20 0 GDADRO CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000476598859 647783572 /nfs/dbraw/zinc/78/35/72/647783572.db2.gz OLCBPRUHPRUZKS-OAHLLOKOSA-N 1 0 391.921 1.793 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@H](C[NH+](C)C)OCC)ccc1F ZINC000921634823 660317303 /nfs/dbraw/zinc/31/73/03/660317303.db2.gz KGMGYFHFYAMBCI-GFCCVEGCSA-N 1 0 376.450 1.247 20 0 GDADRO CCO[C@H](CNS(=O)(=O)Cc1ccccc1Br)C[NH+](C)C ZINC000921635479 660317322 /nfs/dbraw/zinc/31/73/22/660317322.db2.gz XPZFYPNWKHTZGD-CYBMUJFWSA-N 1 0 379.320 1.835 20 0 GDADRO CCO[C@H](CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C[NH+](C)C ZINC000921637190 660317768 /nfs/dbraw/zinc/31/77/68/660317768.db2.gz TXJNAFKKQLZATG-CQSZACIVSA-N 1 0 384.420 1.971 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1cc(C(=O)OC)cc(C)c1F)C[NH+](C)C ZINC000921638126 660317914 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CCOC[C@H](O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480177761 647841268 /nfs/dbraw/zinc/84/12/68/647841268.db2.gz HADACRHGSOXPNN-DGCLKSJQSA-N 1 0 378.288 1.655 20 0 GDADRO COCCN(C)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480264350 647842673 /nfs/dbraw/zinc/84/26/73/647842673.db2.gz LBJMTZPGUMXTBL-AWEZNQCLSA-N 1 0 391.331 1.835 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCN2CCCS2(=O)=O)C1 ZINC000921691718 660323292 /nfs/dbraw/zinc/32/32/92/660323292.db2.gz FZBLFPJBFCVWOF-LSDHHAIUSA-N 1 0 375.535 1.695 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000485435763 647925960 /nfs/dbraw/zinc/92/59/60/647925960.db2.gz IWOSUQSRTRMTOW-XJKSGUPXSA-N 1 0 385.917 1.371 20 0 GDADRO COc1nc(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)ncc1Br ZINC000486790354 647941327 /nfs/dbraw/zinc/94/13/27/647941327.db2.gz WRPIHXBZJCETFD-RYUDHWBXSA-N 1 0 398.305 1.094 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000489256708 647973617 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CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000497358093 648027165 /nfs/dbraw/zinc/02/71/65/648027165.db2.gz MCWHOFUZZCLXRW-UKRRQHHQSA-N 1 0 387.571 1.811 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]([NH3+])CC(F)F ZINC000498192355 648049626 /nfs/dbraw/zinc/04/96/26/648049626.db2.gz MVRGABLFDMLDTF-ZDUSSCGKSA-N 1 0 375.441 1.589 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000498194745 648050296 /nfs/dbraw/zinc/05/02/96/648050296.db2.gz GNDSDZWCNWRWFO-CQSZACIVSA-N 1 0 375.441 1.080 20 0 GDADRO C[NH+](C)CCCCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000498342098 648055551 /nfs/dbraw/zinc/05/55/51/648055551.db2.gz CJDYJAFMEJXVQA-UHFFFAOYSA-N 1 0 382.258 1.503 20 0 GDADRO Cc1cc(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000499116024 648076207 /nfs/dbraw/zinc/07/62/07/648076207.db2.gz LQOOQMUUVHXNRO-AWEZNQCLSA-N 1 0 394.584 1.494 20 0 GDADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000500074038 648098832 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GDADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000509822463 648300696 /nfs/dbraw/zinc/30/06/96/648300696.db2.gz SZJPVSWTNPUMMY-HNNXBMFYSA-N 1 0 375.535 1.313 20 0 GDADRO CCOC(=O)Cc1cccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000509933712 648306493 /nfs/dbraw/zinc/30/64/93/648306493.db2.gz YQASVJFNGJZWSM-QGZVFWFLSA-N 1 0 386.539 1.508 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2([NH+](C)C)CCC2)c1OC ZINC000510002291 648311737 /nfs/dbraw/zinc/31/17/37/648311737.db2.gz KUOQMTCZMRHFOG-UHFFFAOYSA-N 1 0 389.905 1.471 20 0 GDADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000510039147 648314157 /nfs/dbraw/zinc/31/41/57/648314157.db2.gz DROOCTHCEHEIEW-CQSZACIVSA-N 1 0 399.296 1.371 20 0 GDADRO CS(=O)(=O)NCC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000510253545 648320587 /nfs/dbraw/zinc/32/05/87/648320587.db2.gz IDBSTOBYJKNUOC-HNNXBMFYSA-N 1 0 376.906 1.341 20 0 GDADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000510794160 648342323 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399.276 1.340 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1F ZINC000599298246 652482843 /nfs/dbraw/zinc/48/28/43/652482843.db2.gz WLKVFZLSKGHXTE-LBPRGKRZSA-N 1 0 376.425 1.856 20 0 GDADRO CC(C)(C)OC(=O)C1CCC(O)(C[NH+]2CCC(S(C)(=O)=O)CC2)CC1 ZINC000599311874 652483989 /nfs/dbraw/zinc/48/39/89/652483989.db2.gz MZZLGPXAUFHALT-UHFFFAOYSA-N 1 0 375.531 1.758 20 0 GDADRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000599567078 652508228 /nfs/dbraw/zinc/50/82/28/652508228.db2.gz LQXAJGGFLAAPTH-BLLLJJGKSA-N 1 0 378.252 1.997 20 0 GDADRO [NH3+]C1(CNC(=O)Nc2cccc(I)c2)CCOCC1 ZINC000599594393 652509965 /nfs/dbraw/zinc/50/99/65/652509965.db2.gz KMYORGSKFAFZMO-UHFFFAOYSA-N 1 0 375.210 1.921 20 0 GDADRO Cc1ccc(I)cc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599603001 652510606 /nfs/dbraw/zinc/51/06/06/652510606.db2.gz BOCPWDIMKHPGOA-LLVKDONJSA-N 1 0 375.210 1.710 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599604034 652511083 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[NH3+]C1(CNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CCOCC1 ZINC000627153906 653067703 /nfs/dbraw/zinc/06/77/03/653067703.db2.gz ALNVQBMGITUFRF-NSHDSACASA-N 1 0 392.283 1.540 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000627156897 653068020 /nfs/dbraw/zinc/06/80/20/653068020.db2.gz KLAJYAYYVBQSGU-CQSZACIVSA-N 1 0 398.305 1.042 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)C[NH2+]1 ZINC000627205741 653068701 /nfs/dbraw/zinc/06/87/01/653068701.db2.gz UIBLHNAZEJPERQ-UWVGGRQHSA-N 1 0 378.424 1.529 20 0 GDADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627267091 653070650 /nfs/dbraw/zinc/07/06/50/653070650.db2.gz JTJKDHYTAGRLIQ-MNOVXSKESA-N 1 0 395.257 1.312 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627270229 653071020 /nfs/dbraw/zinc/07/10/20/653071020.db2.gz DVLUPOJTUWUQAJ-CHWSQXEVSA-N 1 0 393.285 1.617 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000627316325 653072083 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0 GDADRO COc1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(Br)c1 ZINC000629353957 653160774 /nfs/dbraw/zinc/16/07/74/653160774.db2.gz BHOFLFXACWGRLN-YABSGUDNSA-N 1 0 375.288 1.638 20 0 GDADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000629531758 653169172 /nfs/dbraw/zinc/16/91/72/653169172.db2.gz XFIIJJIWBIRNTQ-NVXWUHKLSA-N 1 0 393.329 1.682 20 0 GDADRO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000629536147 653169996 /nfs/dbraw/zinc/16/99/96/653169996.db2.gz DVYAMLYJKVTNNR-SCVCMEIPSA-N 1 0 376.320 1.888 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000629785752 653181826 /nfs/dbraw/zinc/18/18/26/653181826.db2.gz VWJCCTABIHLCRN-UHFFFAOYSA-N 1 0 386.290 1.102 20 0 GDADRO CCOc1c(Br)cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000629910386 653191658 /nfs/dbraw/zinc/19/16/58/653191658.db2.gz KIVPNTCZNBYVQN-LBPRGKRZSA-N 1 0 387.274 1.653 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cnc2ccc(Br)cc2c1O ZINC000629913729 653192261 /nfs/dbraw/zinc/19/22/61/653192261.db2.gz JIVRWJMRODBQQW-NSHDSACASA-N 1 0 380.242 1.087 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000629913747 653192298 /nfs/dbraw/zinc/19/22/98/653192298.db2.gz JRVAKGJKEVZPNT-DLBZAZTESA-N 1 0 396.329 1.769 20 0 GDADRO C[NH2+]C1(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CCC1 ZINC000629998540 653195546 /nfs/dbraw/zinc/19/55/46/653195546.db2.gz BHESKELATHJXIF-CQSZACIVSA-N 1 0 385.555 1.716 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)ccc1Cl ZINC000631044597 653229744 /nfs/dbraw/zinc/22/97/44/653229744.db2.gz MOKLAZUSVFMVKP-NSHDSACASA-N 1 0 385.839 1.961 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)[C@@H]1n1cccn1 ZINC000631146408 653230021 /nfs/dbraw/zinc/23/00/21/653230021.db2.gz VICJJWWRLZMVAC-LZWOXQAQSA-N 1 0 384.889 1.692 20 0 GDADRO CCC1([NH+](C)C)CCN(c2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000631477881 653237061 /nfs/dbraw/zinc/23/70/61/653237061.db2.gz WUVWTCYKDUHRFB-UHFFFAOYSA-N 1 0 391.335 1.802 20 0 GDADRO CN1CCO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000631813474 653256712 /nfs/dbraw/zinc/25/67/12/653256712.db2.gz OXXQDBWRNXEJDR-QGZVFWFLSA-N 1 0 389.949 1.364 20 0 GDADRO Cc1cc(S(=O)(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)sn1 ZINC000631852286 653260107 /nfs/dbraw/zinc/26/01/07/653260107.db2.gz JPHBVAQJWQDWOK-UHFFFAOYSA-N 1 0 381.527 1.337 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCc2cc(Br)ccc21 ZINC000631914948 653268785 /nfs/dbraw/zinc/26/87/85/653268785.db2.gz CAMYLDMYMUDZRK-GXTWGEPZSA-N 1 0 375.288 1.344 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000631917469 653269877 /nfs/dbraw/zinc/26/98/77/653269877.db2.gz KWZYCLKQXVTVIB-IUODEOHRSA-N 1 0 395.308 1.685 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000631917470 653269898 /nfs/dbraw/zinc/26/98/98/653269898.db2.gz KWZYCLKQXVTVIB-SWLSCSKDSA-N 1 0 395.308 1.685 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000631917135 653269938 /nfs/dbraw/zinc/26/99/38/653269938.db2.gz GOAMCNWBKMWAAN-IUODEOHRSA-N 1 0 378.853 1.171 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC1(c2cccc(Br)c2)CC1 ZINC000631920271 653270658 /nfs/dbraw/zinc/27/06/58/653270658.db2.gz VVQLOKUIJAOCOJ-CQSZACIVSA-N 1 0 389.315 1.389 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000631920336 653270797 /nfs/dbraw/zinc/27/07/97/653270797.db2.gz XRPURYZSXOARJU-JKSUJKDBSA-N 1 0 379.517 1.854 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000631920787 653271484 /nfs/dbraw/zinc/27/14/84/653271484.db2.gz GPBZWNIOBFLQFI-HUUCEWRRSA-N 1 0 376.931 1.748 20 0 GDADRO Cc1sc(CCNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)nc1-c1ccccc1 ZINC000631926077 653272374 /nfs/dbraw/zinc/27/23/74/653272374.db2.gz MUXRPNSXKYYZLD-HNNXBMFYSA-N 1 0 381.523 1.569 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631926624 653272409 /nfs/dbraw/zinc/27/24/09/653272409.db2.gz DLZWGUUXNKTBRJ-AAEUAGOBSA-N 1 0 377.304 1.288 20 0 GDADRO COC[C@]1(CNS(=O)(=O)Cc2ncsc2Br)CCC[NH2+]1 ZINC000631936932 653274729 /nfs/dbraw/zinc/27/47/29/653274729.db2.gz PFPSUOHLRVKAHH-LLVKDONJSA-N 1 0 384.321 1.094 20 0 GDADRO CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631951692 653277810 /nfs/dbraw/zinc/27/78/10/653277810.db2.gz NMKRXYVKYDLVQB-JKSUJKDBSA-N 1 0 388.917 1.810 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000631954099 653278671 /nfs/dbraw/zinc/27/86/71/653278671.db2.gz BEVKUNRFGODWSP-HTQZYQBOSA-N 1 0 394.341 1.587 20 0 GDADRO Cn1nnc2cc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc21 ZINC000631954719 653279157 /nfs/dbraw/zinc/27/91/57/653279157.db2.gz UWTWLKHWPLIOFQ-KOLCDFICSA-N 1 0 377.392 1.116 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1Cl ZINC000631969806 653281914 /nfs/dbraw/zinc/28/19/14/653281914.db2.gz LZIKQTLNAVYFPW-YUMQZZPRSA-N 1 0 381.679 1.846 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000631973600 653282523 /nfs/dbraw/zinc/28/25/23/653282523.db2.gz KKAQFSVRYPXSTR-WPRPVWTQSA-N 1 0 388.287 1.444 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3onc(C4CC4)c3Cl)CC2)C1 ZINC000631975767 653283260 /nfs/dbraw/zinc/28/32/60/653283260.db2.gz KRYVVQJNUUVUHL-ZDUSSCGKSA-N 1 0 388.921 1.606 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cscc2Br)CC1 ZINC000632254044 653324392 /nfs/dbraw/zinc/32/43/92/653324392.db2.gz IJHICRKCFINIHK-LLVKDONJSA-N 1 0 396.376 1.815 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)N[C@H](CO)c2cccc(Br)c2)cn1 ZINC000632268631 653326948 /nfs/dbraw/zinc/32/69/48/653326948.db2.gz VTNSYOJHCKEBQE-OAHLLOKOSA-N 1 0 381.274 1.671 20 0 GDADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)C[C@@H]2CCC2(F)F)CC1 ZINC000632333670 653338795 /nfs/dbraw/zinc/33/87/95/653338795.db2.gz ZWYKWVJFTMIBGH-AWEZNQCLSA-N 1 0 384.489 1.421 20 0 GDADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)C[C@H]1CCC1(F)F ZINC000632339810 653341126 /nfs/dbraw/zinc/34/11/26/653341126.db2.gz GGOAHMCSAJRSGC-CQSZACIVSA-N 1 0 377.457 1.877 20 0 GDADRO C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)[C@@H]1OCCc2sccc21 ZINC000632362384 653345694 /nfs/dbraw/zinc/34/56/94/653345694.db2.gz DQLPXRGWCNCPQE-YOEHRIQHSA-N 1 0 387.571 1.307 20 0 GDADRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000632449354 653359657 /nfs/dbraw/zinc/35/96/57/653359657.db2.gz AWHZXCFHEASZNN-AWEZNQCLSA-N 1 0 389.543 1.042 20 0 GDADRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000632449459 653359867 /nfs/dbraw/zinc/35/98/67/653359867.db2.gz CVQLBZIBCDORGJ-NSHDSACASA-N 1 0 384.893 1.625 20 0 GDADRO O=S(=O)(c1c(F)cc(F)cc1F)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632452237 653360261 /nfs/dbraw/zinc/36/02/61/653360261.db2.gz QAWREIUAGZNARN-UHFFFAOYSA-N 1 0 378.416 1.979 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000632528761 653371674 /nfs/dbraw/zinc/37/16/74/653371674.db2.gz JPNRZQVMWXDIGF-LLVKDONJSA-N 1 0 385.306 1.614 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633022885 653420175 /nfs/dbraw/zinc/42/01/75/653420175.db2.gz ITZARKSTLLCNPH-GHMZBOCLSA-N 1 0 384.274 1.758 20 0 GDADRO O=C(Nc1ccc(C(F)(F)F)c(Br)c1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633022935 653420209 /nfs/dbraw/zinc/42/02/09/653420209.db2.gz NQKUTWJEAPMKDB-IUCAKERBSA-N 1 0 392.175 1.979 20 0 GDADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633029674 653422176 /nfs/dbraw/zinc/42/21/76/653422176.db2.gz MMCUPKVICQRDBK-QWRGUYRKSA-N 1 0 380.235 1.690 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000633039250 653423044 /nfs/dbraw/zinc/42/30/44/653423044.db2.gz BVCFBUMPAQGVKT-UWVGGRQHSA-N 1 0 390.267 1.905 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000633106681 653427902 /nfs/dbraw/zinc/42/79/02/653427902.db2.gz PJVWPXQWWCDNKM-MRXNPFEDSA-N 1 0 386.265 1.744 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000633342587 653439091 /nfs/dbraw/zinc/43/90/91/653439091.db2.gz JWXIJXVETVKRNZ-IXDOHACOSA-N 1 0 379.298 1.908 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)CCNS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000633775360 653470393 /nfs/dbraw/zinc/47/03/93/653470393.db2.gz QVCQEPKBOPWKGP-CYBMUJFWSA-N 1 0 381.420 1.364 20 0 GDADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3csc(S(N)(=O)=O)c3)C2)cc1 ZINC000634455277 653491368 /nfs/dbraw/zinc/49/13/68/653491368.db2.gz ARTFWYHVRSNREG-OAHLLOKOSA-N 1 0 379.507 1.708 20 0 GDADRO OCCOC1(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000634721264 653497306 /nfs/dbraw/zinc/49/73/06/653497306.db2.gz WAGCLCQDYVFAQM-OAHLLOKOSA-N 1 0 394.295 1.881 20 0 GDADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634955856 653503629 /nfs/dbraw/zinc/50/36/29/653503629.db2.gz RMLVDOZHLUCZOQ-KRWDZBQOSA-N 1 0 388.555 1.571 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H]2CCNC(=O)CC2)cc1Br ZINC000634983420 653503687 /nfs/dbraw/zinc/50/36/87/653503687.db2.gz NJJWJNZYDZPAMX-ZIAGYGMSSA-N 1 0 385.302 1.867 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+]CCn2ccc(C(F)(F)F)n2)ccc1Cl ZINC000634991074 653504020 /nfs/dbraw/zinc/50/40/20/653504020.db2.gz OMKMPCOQMOGKDK-UHFFFAOYSA-N 1 0 382.795 1.993 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)C1 ZINC000635333012 653514429 /nfs/dbraw/zinc/51/44/29/653514429.db2.gz KZPWQSOBWNOVGW-RQJABVFESA-N 1 0 384.464 1.694 20 0 GDADRO O=C(NCCNC(=O)C12CCC[NH+](CCC1)C2)c1ccc(Br)cn1 ZINC000636160157 653522174 /nfs/dbraw/zinc/52/21/74/653522174.db2.gz MYVGIJQXLQYVBY-UHFFFAOYSA-N 1 0 395.301 1.566 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000637635345 653530166 /nfs/dbraw/zinc/53/01/66/653530166.db2.gz FQWNTNLPVSKTFE-CYBMUJFWSA-N 1 0 399.337 1.104 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000637656157 653531050 /nfs/dbraw/zinc/53/10/50/653531050.db2.gz MYTCPSUCZNZTTB-SLBVQIDZSA-N 1 0 380.286 1.453 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000638013785 653534546 /nfs/dbraw/zinc/53/45/46/653534546.db2.gz HBVOFXGTFXVVGI-GFCCVEGCSA-N 1 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UJFTZQXJYJSPPC-KRWDZBQOSA-N 1 0 388.555 1.860 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)cc1 ZINC000638736930 653542700 /nfs/dbraw/zinc/54/27/00/653542700.db2.gz BFYGQXZANOXLJB-UHFFFAOYSA-N 1 0 375.372 1.916 20 0 GDADRO C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)CC1(O)CCOCC1 ZINC000639084112 653545716 /nfs/dbraw/zinc/54/57/16/653545716.db2.gz PLNITRYDWKFUQN-UHFFFAOYSA-N 1 0 393.303 1.070 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](Cc3cnn4cc(Br)cnc34)C[C@H]2CO)cn1 ZINC000639106085 653546500 /nfs/dbraw/zinc/54/65/00/653546500.db2.gz KNOGNBOJOLCFJR-ZFWWWQNUSA-N 1 0 391.273 1.433 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(S(N)(=O)=O)c(Cl)c1)Cc1ccccn1 ZINC000639172973 653547932 /nfs/dbraw/zinc/54/79/32/653547932.db2.gz YVHAXIDVQWYESR-UHFFFAOYSA-N 1 0 382.917 1.946 20 0 GDADRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639170754 653547980 /nfs/dbraw/zinc/54/79/80/653547980.db2.gz XFSFRNVBEAVSOB-UHFFFAOYSA-N 1 0 388.965 1.445 20 0 GDADRO CCN(C1CC[NH+](CCC(=O)NCc2cnc(C)s2)CC1)S(C)(=O)=O ZINC000639531559 653551811 /nfs/dbraw/zinc/55/18/11/653551811.db2.gz JXFABUDJISONAD-UHFFFAOYSA-N 1 0 388.559 1.204 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)Cn1cc(CC[NH+](C)C)nn1 ZINC000640979560 653561597 /nfs/dbraw/zinc/56/15/97/653561597.db2.gz KUKFIEAZWVYOOW-UHFFFAOYSA-N 1 0 386.319 1.865 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(C[C@@H](O)COc2cc(Cl)ccc2Cl)nn1 ZINC000641200268 653562940 /nfs/dbraw/zinc/56/29/40/653562940.db2.gz GDZGOMQICHNJKJ-GXTWGEPZSA-N 1 0 389.283 1.931 20 0 GDADRO CC[NH+]1CCC(NS(=O)(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000641274858 653563375 /nfs/dbraw/zinc/56/33/75/653563375.db2.gz XIAABNMCVZCMGM-UHFFFAOYSA-N 1 0 388.291 1.254 20 0 GDADRO COCCCNS(=O)(=O)c1ccccc1NC[C@]1([NH+](C)C)CCSC1 ZINC000641434419 653567804 /nfs/dbraw/zinc/56/78/04/653567804.db2.gz ACPLVOYICRVNPQ-QGZVFWFLSA-N 1 0 387.571 1.851 20 0 GDADRO CN(CCCC[NH+]1CCCCC1)C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000641663605 653574932 /nfs/dbraw/zinc/57/49/32/653574932.db2.gz BXPVEMUAYZRLON-UONOGXRCSA-N 1 0 384.464 1.934 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000641994584 653576496 /nfs/dbraw/zinc/57/64/96/653576496.db2.gz NSMPNMMDLFJDSR-HNNXBMFYSA-N 1 0 376.567 1.658 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000642355254 653578132 /nfs/dbraw/zinc/57/81/32/653578132.db2.gz SBZFRPYVYAWBHZ-AEJSXWLSSA-N 1 0 376.404 1.550 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2cc(C)ccc2Br)CC[C@H]1[NH3+] ZINC000642373580 653578376 /nfs/dbraw/zinc/57/83/76/653578376.db2.gz IIOIBYCWRKOBDX-IUODEOHRSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000642650968 653579006 /nfs/dbraw/zinc/57/90/06/653579006.db2.gz JXOUJOBOTUWBQS-AWEZNQCLSA-N 1 0 395.301 1.012 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2cc(Br)ccc2C)CC[C@@H]1[NH3+] ZINC000642640865 653579034 /nfs/dbraw/zinc/57/90/34/653579034.db2.gz FVQMXRRNNGMLTB-DOMZBBRYSA-N 1 0 382.302 1.960 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642687295 653579159 /nfs/dbraw/zinc/57/91/59/653579159.db2.gz CXBISQXZIGAYLY-ZDUSSCGKSA-N 1 0 384.274 1.332 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000642780771 653579243 /nfs/dbraw/zinc/57/92/43/653579243.db2.gz NOKLOYOUMWJOPP-AXTSPUMRSA-N 1 0 377.329 1.866 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642808409 653579433 /nfs/dbraw/zinc/57/94/33/653579433.db2.gz DIIBXWDQOFEREC-AAEUAGOBSA-N 1 0 398.301 1.893 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000642905399 653579730 /nfs/dbraw/zinc/57/97/30/653579730.db2.gz LUWKDYAQOZLXJR-CYBMUJFWSA-N 1 0 398.301 1.674 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000642917569 653579781 /nfs/dbraw/zinc/57/97/81/653579781.db2.gz ANUYOGACHZUFRK-OAHLLOKOSA-N 1 0 396.285 1.217 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000642909395 653579786 /nfs/dbraw/zinc/57/97/86/653579786.db2.gz MBCWFKAPZJBWHW-MFKMUULPSA-N 1 0 375.416 1.785 20 0 GDADRO COc1cc(Cl)ccc1[C@H](C)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000643345521 653581616 /nfs/dbraw/zinc/58/16/16/653581616.db2.gz PMPIHJAVMQLNEE-ZDUSSCGKSA-N 1 0 375.922 1.576 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000643485538 653583020 /nfs/dbraw/zinc/58/30/20/653583020.db2.gz CFEBKIALFLDBKF-DZGCQCFKSA-N 1 0 382.302 1.993 20 0 GDADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000643604712 653583727 /nfs/dbraw/zinc/58/37/27/653583727.db2.gz IZYPEDOYZUPXMU-GOEBONIOSA-N 1 0 385.306 1.781 20 0 GDADRO C[C@@H]1CN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[N@@H+]1CC(C)(C)O ZINC000643892103 653592155 /nfs/dbraw/zinc/59/21/55/653592155.db2.gz QWOGHRUZJGOVMK-GFCCVEGCSA-N 1 0 375.922 1.264 20 0 GDADRO Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)c1C ZINC000643992397 653593636 /nfs/dbraw/zinc/59/36/36/653593636.db2.gz KNGUWJSYRRTSOH-ZDUSSCGKSA-N 1 0 375.441 1.737 20 0 GDADRO COCCNC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000643984657 653593639 /nfs/dbraw/zinc/59/36/39/653593639.db2.gz MCGSITASKLXJBW-GFCCVEGCSA-N 1 0 375.803 1.900 20 0 GDADRO CC1(C)C[NH2+]CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000644074780 653595319 /nfs/dbraw/zinc/59/53/19/653595319.db2.gz BZOXLAGMYGUESB-UHFFFAOYSA-N 1 0 385.555 1.676 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000644080165 653595416 /nfs/dbraw/zinc/59/54/16/653595416.db2.gz ZWZSQOOWVYDGKH-PWSUYJOCSA-N 1 0 394.269 1.692 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1Cl ZINC000644300277 653597434 /nfs/dbraw/zinc/59/74/34/653597434.db2.gz MPTJRYIXRVUPGA-YGRLFVJLSA-N 1 0 375.853 1.762 20 0 GDADRO CNC(=O)CN1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644520097 653599104 /nfs/dbraw/zinc/59/91/04/653599104.db2.gz KKYOKMLGOLKCFJ-ZDUSSCGKSA-N 1 0 390.311 1.533 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644532009 653599124 /nfs/dbraw/zinc/59/91/24/653599124.db2.gz PVWPITVGDYAGDF-LLVKDONJSA-N 1 0 385.313 1.651 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000644537311 653599222 /nfs/dbraw/zinc/59/92/22/653599222.db2.gz YMLIOIHYKWAAMO-HNNXBMFYSA-N 1 0 376.906 1.233 20 0 GDADRO COC[C@H](O)C[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000644557751 653599281 /nfs/dbraw/zinc/59/92/81/653599281.db2.gz RLEWJMLDUBEOEH-LLVKDONJSA-N 1 0 375.263 1.175 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CN(C)CCO1 ZINC000644603039 653599524 /nfs/dbraw/zinc/59/95/24/653599524.db2.gz ZBMHYFAQDNUCKS-IUODEOHRSA-N 1 0 391.331 1.532 20 0 GDADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)CCO2 ZINC000644616177 653599595 /nfs/dbraw/zinc/59/95/95/653599595.db2.gz YJDDXVIHZYENCM-CPUCHLNUSA-N 1 0 389.901 1.406 20 0 GDADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)CCO2 ZINC000644616179 653599603 /nfs/dbraw/zinc/59/96/03/653599603.db2.gz YJDDXVIHZYENCM-VBQJREDUSA-N 1 0 389.901 1.406 20 0 GDADRO C[C@H](OC[C@@H](O)C[NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000644627017 653599683 /nfs/dbraw/zinc/59/96/83/653599683.db2.gz AZEQTMVSMBUWQC-LRDDRELGSA-N 1 0 376.906 1.260 20 0 GDADRO O=C1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)N1 ZINC000644635377 653599819 /nfs/dbraw/zinc/59/98/19/653599819.db2.gz ZWJUYQJWBLSBLQ-LBPRGKRZSA-N 1 0 375.288 1.481 20 0 GDADRO COc1ncc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1Br ZINC000644639919 653599838 /nfs/dbraw/zinc/59/98/38/653599838.db2.gz FLEUIPDIRDSMBR-CQSZACIVSA-N 1 0 397.317 1.705 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(CC(=O)NCC(=O)Nc3ccccc3Br)[C@H]2C1 ZINC000644728852 653600153 /nfs/dbraw/zinc/60/01/53/653600153.db2.gz KYEYCWYFWWSSNZ-DOMZBBRYSA-N 1 0 395.301 1.140 20 0 GDADRO O=C(Nc1nc(CC(F)(F)F)cs1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000645289341 653602115 /nfs/dbraw/zinc/60/21/15/653602115.db2.gz AQPRSKGPVZHHGX-MWLCHTKSSA-N 1 0 376.404 1.929 20 0 GDADRO O=C(Nc1nc(CC(F)(F)F)cs1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000645289339 653602123 /nfs/dbraw/zinc/60/21/23/653602123.db2.gz AQPRSKGPVZHHGX-GXSJLCMTSA-N 1 0 376.404 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394.273 1.517 20 0 GDADRO Cc1cc(CCC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)ccc1Br ZINC000650305857 653690793 /nfs/dbraw/zinc/69/07/93/653690793.db2.gz MWFZSAZCNQDBOU-UHFFFAOYSA-N 1 0 396.329 1.923 20 0 GDADRO CC(C)C[N@H+](C)CCCNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000650980397 653807691 /nfs/dbraw/zinc/80/76/91/653807691.db2.gz LOVRCULUSQWYPO-UHFFFAOYSA-N 1 0 376.548 1.304 20 0 GDADRO CC(C)C[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000651191753 653814691 /nfs/dbraw/zinc/81/46/91/653814691.db2.gz NJKPKWZDIIJMGJ-MRXNPFEDSA-N 1 0 376.567 1.468 20 0 GDADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000651768988 653854725 /nfs/dbraw/zinc/85/47/25/653854725.db2.gz MGGLNVXMAHDGFL-UHFFFAOYSA-N 1 0 376.544 1.487 20 0 GDADRO CC[N@H+](CCCNS(=O)(=O)C1CCS(=O)(=O)CC1)C1CCCCC1 ZINC000651804375 653858171 /nfs/dbraw/zinc/85/81/71/653858171.db2.gz AYEJNYAXXQGNFK-UHFFFAOYSA-N 1 0 380.576 1.528 20 0 GDADRO CCO[C@@H]1CN(C(=O)NCCOc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000652136648 653882606 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O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653113179 653906580 /nfs/dbraw/zinc/90/65/80/653906580.db2.gz VKZHHANJUYEEFJ-DEYYWGMASA-N 1 0 394.313 1.628 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)CCn3cc(Br)cn3)C2)C1 ZINC000653189168 653907879 /nfs/dbraw/zinc/90/78/79/653907879.db2.gz UOLXNFBBIXIVNR-CFVMTHIKSA-N 1 0 385.306 1.781 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653261933 653909217 /nfs/dbraw/zinc/90/92/17/653909217.db2.gz ZHZIPBISYUPJJS-UPJWGTAASA-N 1 0 387.527 1.205 20 0 GDADRO CC[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H]1CCCCO1 ZINC000653875112 653925399 /nfs/dbraw/zinc/92/53/99/653925399.db2.gz PVIWCHOCLSMAHU-ZFWWWQNUSA-N 1 0 389.905 1.863 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)[C@H](OC)c2ccccc2Br)CC1 ZINC000654779790 653945580 /nfs/dbraw/zinc/94/55/80/653945580.db2.gz FBCAJVIGLHIELD-MRXNPFEDSA-N 1 0 384.318 1.890 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000655073771 653957457 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1.338 20 0 GDADRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000655912385 653993426 /nfs/dbraw/zinc/99/34/26/653993426.db2.gz UTLJMJYKJNNDHS-SKDRFNHKSA-N 1 0 382.408 1.187 20 0 GDADRO [NH3+]C[C@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000655913097 653993544 /nfs/dbraw/zinc/99/35/44/653993544.db2.gz RRGVXRJWSZVBBI-LBPRGKRZSA-N 1 0 378.782 1.697 20 0 GDADRO Cc1ccc([C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC000655929435 653994787 /nfs/dbraw/zinc/99/47/87/653994787.db2.gz RZVLHVXETXUDKZ-WCFLWFBJSA-N 1 0 381.420 1.658 20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000655951395 653995730 /nfs/dbraw/zinc/99/57/30/653995730.db2.gz UESFIJFKFLCUAR-RISCZKNCSA-N 1 0 377.304 1.635 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)C(F)(F)F ZINC000655956881 653995974 /nfs/dbraw/zinc/99/59/74/653995974.db2.gz HGHGDYSYTUADTE-MRVPVSSYSA-N 1 0 395.179 1.666 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655957512 653996380 /nfs/dbraw/zinc/99/63/80/653996380.db2.gz AWCQZVUZCKSXMZ-SNVBAGLBSA-N 1 0 398.179 1.792 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656065759 654001130 /nfs/dbraw/zinc/00/11/30/654001130.db2.gz LHDZZHQAUUHZJE-KLPPZKSPSA-N 1 0 388.331 1.925 20 0 GDADRO C[C@H]1C[C@H](n2cc(CN3CC[NH+](C)CC3)nn2)c2ccsc2S1(=O)=O ZINC000656462459 654031256 /nfs/dbraw/zinc/03/12/56/654031256.db2.gz CNHVBRPVYCUDQE-WFASDCNBSA-N 1 0 381.527 1.242 20 0 GDADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ncccc2Br)CCCO1 ZINC000656973675 654082283 /nfs/dbraw/zinc/08/22/83/654082283.db2.gz HHZDHPBJZKFPDW-LBPRGKRZSA-N 1 0 392.319 1.623 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)[NH+](C)C ZINC000657093408 654109394 /nfs/dbraw/zinc/10/93/94/654109394.db2.gz WNPDFSJRYQXJGV-VIFPVBQESA-N 1 0 378.292 1.167 20 0 GDADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000657750911 654161344 /nfs/dbraw/zinc/16/13/44/654161344.db2.gz DYAGESQIAHBEQH-OAHLLOKOSA-N 1 0 390.253 1.264 20 0 GDADRO COC[C@H](CC1CCOCC1)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000657933343 654172252 /nfs/dbraw/zinc/17/22/52/654172252.db2.gz SZWIRNMCGWQRKF-GJZGRUSLSA-N 1 0 377.528 1.304 20 0 GDADRO COC[C@H](CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000658083847 654181599 /nfs/dbraw/zinc/18/15/99/654181599.db2.gz UFOZCQSTZZMQHB-JQWIXIFHSA-N 1 0 395.319 1.799 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000658294115 654183558 /nfs/dbraw/zinc/18/35/58/654183558.db2.gz GGSOSFYETPVAPW-XJKSGUPXSA-N 1 0 384.318 1.842 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000658333671 654185322 /nfs/dbraw/zinc/18/53/22/654185322.db2.gz QOLKGFFUWLEKMJ-ZDUSSCGKSA-N 1 0 399.333 1.776 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)o2)C1 ZINC000658344412 654185351 /nfs/dbraw/zinc/18/53/51/654185351.db2.gz OXHDPGCHROWOII-GFCCVEGCSA-N 1 0 386.290 1.990 20 0 GDADRO CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@H](C[NH3+])C1 ZINC000658372058 654186129 /nfs/dbraw/zinc/18/61/29/654186129.db2.gz IEQKUHIARGIJEF-SNVBAGLBSA-N 1 0 387.811 1.502 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ncccc2Br)CC12CCOCC2 ZINC000658380794 654187441 /nfs/dbraw/zinc/18/74/41/654187441.db2.gz DSJURSHRLVWQIU-NSHDSACASA-N 1 0 390.303 1.220 20 0 GDADRO COC[C@]1(CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CCC[NH2+]1 ZINC000658379923 654187627 /nfs/dbraw/zinc/18/76/27/654187627.db2.gz YWTNNADBSBUBKJ-CQSZACIVSA-N 1 0 382.404 1.773 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000658387078 654188425 /nfs/dbraw/zinc/18/84/25/654188425.db2.gz IDGZSZOASWWGEB-HNNXBMFYSA-N 1 0 386.539 1.490 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC[C@H]1F ZINC000658408127 654191330 /nfs/dbraw/zinc/19/13/30/654191330.db2.gz LFFWLIILOAENRH-GHMZBOCLSA-N 1 0 379.251 1.444 20 0 GDADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000659280017 654220061 /nfs/dbraw/zinc/22/00/61/654220061.db2.gz PBQALKLUDPRPHE-HNNXBMFYSA-N 1 0 398.301 1.486 20 0 GDADRO C[C@@]1(CNC(=O)c2cc(Br)ccc2-n2cnnn2)CCC[NH2+]C1 ZINC000659302859 654221540 /nfs/dbraw/zinc/22/15/40/654221540.db2.gz MSRQUKZLKISQNP-OAHLLOKOSA-N 1 0 379.262 1.544 20 0 GDADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659358510 654224120 /nfs/dbraw/zinc/22/41/20/654224120.db2.gz RKCTXNHGXDRYNU-MRXNPFEDSA-N 1 0 382.302 1.866 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC[C@H]1F ZINC000659389048 654224593 /nfs/dbraw/zinc/22/45/93/654224593.db2.gz INIIULVGISWUGZ-CYZMBNFOSA-N 1 0 384.249 1.700 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[C@H]1F ZINC000659388837 654224742 /nfs/dbraw/zinc/22/47/42/654224742.db2.gz FKQNIPNJUQXWCU-ZLKJLUDKSA-N 1 0 384.249 1.700 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[C@H]1F ZINC000659388638 654224772 /nfs/dbraw/zinc/22/47/72/654224772.db2.gz LQWFUJMRYNNXQW-CHWSQXEVSA-N 1 0 387.253 1.858 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC[C@H]1F ZINC000659390782 654225124 /nfs/dbraw/zinc/22/51/24/654225124.db2.gz HKWIXIQUMSKPAH-CHWSQXEVSA-N 1 0 397.248 1.447 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)NCC2(S(C)(=O)=O)CCCCC2)CC1 ZINC000659592173 654229421 /nfs/dbraw/zinc/22/94/21/654229421.db2.gz BSCYWQSVGZLEEW-UHFFFAOYSA-N 1 0 375.535 1.144 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000659615285 654229647 /nfs/dbraw/zinc/22/96/47/654229647.db2.gz YASRLXUXNHLGGC-WKXXDYOBSA-N 1 0 393.285 1.384 20 0 GDADRO C[C@@H]1CN(CC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)C[C@@H](C)O1 ZINC000659818655 654234275 /nfs/dbraw/zinc/23/42/75/654234275.db2.gz SWMJPTKRFAIZKM-HUUCEWRRSA-N 1 0 387.571 1.600 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000660152127 654241599 /nfs/dbraw/zinc/24/15/99/654241599.db2.gz QBOIUHDCDGCEGN-UHFFFAOYSA-N 1 0 386.539 1.490 20 0 GDADRO C[C@H](COC1CCCC1)CS(=O)(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000660158483 654242392 /nfs/dbraw/zinc/24/23/92/654242392.db2.gz UXDAARGKSHULJH-AEFFLSMTSA-N 1 0 376.563 1.954 20 0 GDADRO CS(=O)(=O)C1(CNC(=O)NCCCC[NH+]2CCOCC2)CCCCC1 ZINC000660402942 654248925 /nfs/dbraw/zinc/24/89/25/654248925.db2.gz LRLIZKBAJUGVDD-UHFFFAOYSA-N 1 0 375.535 1.146 20 0 GDADRO CNS(=O)(=O)c1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000660563119 654254892 /nfs/dbraw/zinc/25/48/92/654254892.db2.gz JCKSLMDTTWCBPP-UHFFFAOYSA-N 1 0 387.303 1.686 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)NCCNC(=O)c2ccc(Br)cn2)C1 ZINC000661513146 654273043 /nfs/dbraw/zinc/27/30/43/654273043.db2.gz FYJYHTCQPPXTFH-ZDUSSCGKSA-N 1 0 398.305 1.357 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC000661593972 654277488 /nfs/dbraw/zinc/27/74/88/654277488.db2.gz KNALWHOXOKAQPW-UHFFFAOYSA-N 1 0 390.303 1.093 20 0 GDADRO COc1ccc([C@@H](C[NH3+])CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1 ZINC000662298551 654292624 /nfs/dbraw/zinc/29/26/24/654292624.db2.gz NLZWROPNMPXJHX-QEJZJMRPSA-N 1 0 380.432 1.645 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)CCO1 ZINC000662321170 654293189 /nfs/dbraw/zinc/29/31/89/654293189.db2.gz GMWPTHJWNDHQMX-CQSZACIVSA-N 1 0 385.306 1.825 20 0 GDADRO C[C@H](C(=O)N1CC2CC1(C[NH3+])C2)N1C(=O)c2ccc(Br)cc2C1=O ZINC000662684175 654299948 /nfs/dbraw/zinc/29/99/48/654299948.db2.gz YDPLFSCHKLJRMT-RUVIIZMJSA-N 1 0 392.253 1.383 20 0 GDADRO [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000662684135 654300193 /nfs/dbraw/zinc/30/01/93/654300193.db2.gz AUFAHKQYGKCSQG-GVXVVHGQSA-N 1 0 381.274 1.759 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000662843647 654305912 /nfs/dbraw/zinc/30/59/12/654305912.db2.gz UKZYEQNJIVTSFS-UHFFFAOYSA-N 1 0 377.304 1.560 20 0 GDADRO C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000662895063 654317192 /nfs/dbraw/zinc/31/71/92/654317192.db2.gz CPORVMKTEGIDND-MNOVXSKESA-N 1 0 394.324 1.858 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@]2(C)CC[NH2+]C2)cc1Br ZINC000663012367 654318749 /nfs/dbraw/zinc/31/87/49/654318749.db2.gz WPSNKSSOAOYFHE-CQSZACIVSA-N 1 0 390.303 1.181 20 0 GDADRO CC(=O)N1c2ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc2C[C@H]1C ZINC000663311732 654332853 /nfs/dbraw/zinc/33/28/53/654332853.db2.gz QBROGALZVIUNDH-OTYXRUKQSA-N 1 0 379.404 1.494 20 0 GDADRO CCS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000663364406 654334777 /nfs/dbraw/zinc/33/47/77/654334777.db2.gz QJKVYQFSDVYLII-ZDUSSCGKSA-N 1 0 392.315 1.746 20 0 GDADRO CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000663364404 654335157 /nfs/dbraw/zinc/33/51/57/654335157.db2.gz QJKVYQFSDVYLII-CYBMUJFWSA-N 1 0 392.315 1.746 20 0 GDADRO O=C(c1cc(-c2cccc(Br)c2)no1)N1CCOC2(C[NH2+]C2)C1 ZINC000663492985 654338850 /nfs/dbraw/zinc/33/88/50/654338850.db2.gz XDPZLLRNNOBXKQ-UHFFFAOYSA-N 1 0 378.226 1.919 20 0 GDADRO C[C@H](CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[NH+](C)C ZINC000663565975 654343402 /nfs/dbraw/zinc/34/34/02/654343402.db2.gz BAVICFKJSNTXKO-GFCCVEGCSA-N 1 0 376.910 1.258 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2nnc3ccc(Br)cn32)CC1 ZINC000663580725 654343919 /nfs/dbraw/zinc/34/39/19/654343919.db2.gz BFNOWIHQVKQNSO-UHFFFAOYSA-N 1 0 395.305 1.846 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CCO1 ZINC000663603374 654345124 /nfs/dbraw/zinc/34/51/24/654345124.db2.gz IBSOKBUFXDXFAL-SECBINFHSA-N 1 0 381.738 1.363 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C[C@@H]1O ZINC000663976482 654363423 /nfs/dbraw/zinc/36/34/23/654363423.db2.gz VGTHJYNFMQTQAE-KBMXLJTQSA-N 1 0 397.317 1.344 20 0 GDADRO O=C(NCc1n[nH]cc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664177849 654368177 /nfs/dbraw/zinc/36/81/77/654368177.db2.gz UGAWDVCUQPQPML-LBPRGKRZSA-N 1 0 386.294 1.569 20 0 GDADRO C[NH+](C)CCOCCNC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000664731959 654390395 /nfs/dbraw/zinc/39/03/95/654390395.db2.gz MQCQEYABWATAED-UHFFFAOYSA-N 1 0 399.333 1.859 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)NCc2cc(F)c(F)cc2Br)C[C@@H]1O ZINC000664887440 654392688 /nfs/dbraw/zinc/39/26/88/654392688.db2.gz STRNLEHFWJDMBN-STQMWFEESA-N 1 0 378.217 1.544 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291517 654402672 /nfs/dbraw/zinc/40/26/72/654402672.db2.gz DEHSSIZPKOKZAI-JTQLQIEISA-N 1 0 394.273 1.910 20 0 GDADRO Cc1cc(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)ccc1C(F)(F)F ZINC000666256918 654421187 /nfs/dbraw/zinc/42/11/87/654421187.db2.gz SBTPXILHAFIQCT-UHFFFAOYSA-N 1 0 379.448 1.681 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CS1(=O)=O ZINC000666382545 654426520 /nfs/dbraw/zinc/42/65/20/654426520.db2.gz VTBRBKUWQMCSLX-HUUCEWRRSA-N 1 0 375.535 1.094 20 0 GDADRO NS(=O)(=O)c1ccsc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000666640377 654433042 /nfs/dbraw/zinc/43/30/42/654433042.db2.gz XCLIJIRYZNNCMA-UHFFFAOYSA-N 1 0 380.495 1.185 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCO1 ZINC000667403115 654448481 /nfs/dbraw/zinc/44/84/81/654448481.db2.gz SKZSLNDLSFCMKL-KRTXAFLBSA-N 1 0 392.200 1.240 20 0 GDADRO CCS(=O)(=O)N[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000667431367 654450316 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CCCN(CC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000732074749 654458740 /nfs/dbraw/zinc/45/87/40/654458740.db2.gz SWQRHLHPYQFWTH-UHFFFAOYSA-N 1 0 398.348 1.572 20 0 GDADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000667865704 654462328 /nfs/dbraw/zinc/46/23/28/654462328.db2.gz GYKALBBAYZYRFC-KZNAEPCWSA-N 1 0 386.945 1.749 20 0 GDADRO CNS(=O)(=O)CCC[N@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000732199691 654463141 /nfs/dbraw/zinc/46/31/41/654463141.db2.gz QQGKGWHWPSTWMV-UHFFFAOYSA-N 1 0 375.535 1.790 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)NCCc1ccc(Br)cc1F ZINC000769507887 654467436 /nfs/dbraw/zinc/46/74/36/654467436.db2.gz QPJQZLDCLDLTBP-UHFFFAOYSA-N 1 0 376.270 1.744 20 0 GDADRO C[C@@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC000769884859 654489472 /nfs/dbraw/zinc/48/94/72/654489472.db2.gz PDOVOTHDCXGGKM-RBSFLKMASA-N 1 0 375.535 1.503 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN1CCSCC1 ZINC000732823256 654489570 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GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](OC(F)F)C1)c1cccs1 ZINC000670535442 654523624 /nfs/dbraw/zinc/52/36/24/654523624.db2.gz PKGPKFNWKBFRCX-VXGBXAGGSA-N 1 0 375.441 1.697 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000670832532 654526924 /nfs/dbraw/zinc/52/69/24/654526924.db2.gz BBQKIYIZCQVUMI-LBPRGKRZSA-N 1 0 382.302 1.912 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671103156 654531414 /nfs/dbraw/zinc/53/14/14/654531414.db2.gz XUCWKRWIAIUZPR-KGLIPLIRSA-N 1 0 397.317 1.489 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000671118068 654532144 /nfs/dbraw/zinc/53/21/44/654532144.db2.gz YMKZGGOCSIZIHG-WFASDCNBSA-N 1 0 398.301 1.369 20 0 GDADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000671730040 654542745 /nfs/dbraw/zinc/54/27/45/654542745.db2.gz RBXIURUUSQPATN-AWEZNQCLSA-N 1 0 381.420 1.411 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[NH2+][C@@H](CO)C2CC2)c1 ZINC000771806126 654548568 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654588789 /nfs/dbraw/zinc/58/87/89/654588789.db2.gz SRRPPDPTHSCQKC-NWDGAFQWSA-N 1 0 378.951 1.582 20 0 GDADRO C[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc(Cl)c2O1 ZINC000736333393 654592023 /nfs/dbraw/zinc/59/20/23/654592023.db2.gz VTVHGLZTAYOTAT-MRVWCRGKSA-N 1 0 386.901 1.805 20 0 GDADRO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CCN1CCCS1(=O)=O ZINC000674463612 654600346 /nfs/dbraw/zinc/60/03/46/654600346.db2.gz PZVJYEPCZBRGMG-UHFFFAOYSA-N 1 0 377.869 1.775 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000774148937 654613549 /nfs/dbraw/zinc/61/35/49/654613549.db2.gz JIHKQWGRTPLMGU-LLVKDONJSA-N 1 0 383.290 1.939 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCN(C)S(C)(=O)=O ZINC000675747025 654623717 /nfs/dbraw/zinc/62/37/17/654623717.db2.gz SPVSHENSOSTUPX-CQSZACIVSA-N 1 0 389.949 1.948 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000676353153 654639175 /nfs/dbraw/zinc/63/91/75/654639175.db2.gz LLEXCAZLAPNHPW-LBPRGKRZSA-N 1 0 393.506 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CN1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)cc3O)C2)CC1 ZINC000682030505 654745925 /nfs/dbraw/zinc/74/59/25/654745925.db2.gz NXXVEADBDZKZQX-OAHLLOKOSA-N 1 0 396.329 1.982 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000682354457 654751470 /nfs/dbraw/zinc/75/14/70/654751470.db2.gz CUTIPTYBSJOQOQ-LLVKDONJSA-N 1 0 399.289 1.075 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000779073601 654754176 /nfs/dbraw/zinc/75/41/76/654754176.db2.gz MNGYLROSDWXIDD-KGLIPLIRSA-N 1 0 376.519 1.209 20 0 GDADRO CCS(=O)(=O)N(C)C1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000779475411 654762327 /nfs/dbraw/zinc/76/23/27/654762327.db2.gz FUFRUVRVXNXWRC-UHFFFAOYSA-N 1 0 375.535 1.599 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000779477492 654762360 /nfs/dbraw/zinc/76/23/60/654762360.db2.gz FEFCCRRKUZUOFS-LSDHHAIUSA-N 1 0 375.535 1.647 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000779520758 654762862 /nfs/dbraw/zinc/76/28/62/654762862.db2.gz UORQGHOIOKLKIU-WMLDXEAASA-N 1 0 375.535 1.647 20 0 GDADRO CON(C)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000746504036 654763228 /nfs/dbraw/zinc/76/32/28/654763228.db2.gz WDUHITUTEFTJCA-NSHDSACASA-N 1 0 385.262 1.514 20 0 GDADRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000746513165 654763425 /nfs/dbraw/zinc/76/34/25/654763425.db2.gz FKBAZZLCWCWQJI-AWEZNQCLSA-N 1 0 375.535 1.647 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000779569948 654764088 /nfs/dbraw/zinc/76/40/88/654764088.db2.gz HSILWNFXZFSPDJ-HTQZYQBOSA-N 1 0 396.332 1.371 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(Br)nc2)CC1 ZINC000746601861 654764811 /nfs/dbraw/zinc/76/48/11/654764811.db2.gz UOCACXRGRRKXID-UHFFFAOYSA-N 1 0 383.290 1.517 20 0 GDADRO O=C(c1ncc(Br)s1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000683416938 654776183 /nfs/dbraw/zinc/77/61/83/654776183.db2.gz SBKDVZCOFXZWNO-UHFFFAOYSA-N 1 0 390.303 1.205 20 0 GDADRO 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386.294 1.153 20 0 GDADRO CC(C)(C)[N@@H+]1CCCN(C(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000726484962 654854432 /nfs/dbraw/zinc/85/44/32/654854432.db2.gz HFPZNYNGOZUCSO-UHFFFAOYSA-N 1 0 384.571 1.515 20 0 GDADRO CC[NH+](CC)CCN(C(=S)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000750984973 654866232 /nfs/dbraw/zinc/86/62/32/654866232.db2.gz PNWOLNAYBCIZSY-LLVKDONJSA-N 1 0 375.482 1.254 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000727088204 654867494 /nfs/dbraw/zinc/86/74/94/654867494.db2.gz CVEKGWFRDXGOGV-OAHLLOKOSA-N 1 0 382.555 1.804 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000751090926 654872087 /nfs/dbraw/zinc/87/20/87/654872087.db2.gz WGFFCIGAKDQYBK-NSHDSACASA-N 1 0 375.878 1.674 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1c(I)cnn1C ZINC000828695686 654878256 /nfs/dbraw/zinc/87/82/56/654878256.db2.gz KFFSHEDIDGZVGX-NSHDSACASA-N 1 0 376.242 1.514 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1c(Cl)nc2sccn21 ZINC000751355365 654884745 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GDADRO C[N@H+](CCNC(=O)c1cc(F)cc(Br)c1F)CCOCCO ZINC000829445187 654899373 /nfs/dbraw/zinc/89/93/73/654899373.db2.gz SNBWJTMBMIVMMT-UHFFFAOYSA-N 1 0 381.217 1.398 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)NCC[N@H+](C)CCOCCO)n1 ZINC000829445461 654899408 /nfs/dbraw/zinc/89/94/08/654899408.db2.gz XIUWEYGLGUSZAE-UHFFFAOYSA-N 1 0 389.294 1.033 20 0 GDADRO CC1CC[NH+](Cc2ccccc2CNC(=S)NCCS(C)(=O)=O)CC1 ZINC000729155137 654902787 /nfs/dbraw/zinc/90/27/87/654902787.db2.gz UAPLBPIXGNANEG-UHFFFAOYSA-N 1 0 383.583 1.927 20 0 GDADRO FC(F)(F)CNC(=S)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000729160052 654904682 /nfs/dbraw/zinc/90/46/82/654904682.db2.gz IDCHEOXWCGNZCW-UHFFFAOYSA-N 1 0 376.452 1.405 20 0 GDADRO Cc1nc(Br)sc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000829674681 654908939 /nfs/dbraw/zinc/90/89/39/654908939.db2.gz UNWDOIWOHZTMOG-UHFFFAOYSA-N 1 0 375.336 1.970 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729500225 654911172 /nfs/dbraw/zinc/91/11/72/654911172.db2.gz UZJGOFDNQWLNEP-HOCLYGCPSA-N 1 0 398.301 1.990 20 0 GDADRO C[NH+](C)C1CCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 ZINC000729519197 654911586 /nfs/dbraw/zinc/91/15/86/654911586.db2.gz MSLCNNUUFKLBTL-UHFFFAOYSA-N 1 0 396.332 1.324 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000729646771 654913835 /nfs/dbraw/zinc/91/38/35/654913835.db2.gz HCZQVBXTWKHAAL-LBPRGKRZSA-N 1 0 375.485 1.756 20 0 GDADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1cc(Br)nn1C ZINC000785471228 654918152 /nfs/dbraw/zinc/91/81/52/654918152.db2.gz PNSSULHTJIUZGG-CQSZACIVSA-N 1 0 393.333 1.878 20 0 GDADRO CCS(=O)(=O)CCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000730903442 654938833 /nfs/dbraw/zinc/93/88/33/654938833.db2.gz OIQVQGFAVSOBDE-UHFFFAOYSA-N 1 0 375.535 1.144 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(Cl)cn1 ZINC000830588407 654950600 /nfs/dbraw/zinc/95/06/00/654950600.db2.gz JLDLPXGEKJYKFY-GFCCVEGCSA-N 1 0 389.905 1.105 20 0 GDADRO C[C@@H]1C[C@@H](CCNC(=S)NCCS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000753673849 654954903 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377.551 1.893 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(S(C)(=O)=O)ncc3Cl)C2)CC1 ZINC000831205278 654975782 /nfs/dbraw/zinc/97/57/82/654975782.db2.gz UGAMKMFLQUCMOK-CYBMUJFWSA-N 1 0 385.917 1.942 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000754637829 654976098 /nfs/dbraw/zinc/97/60/98/654976098.db2.gz BVWNGGQBJDMWKB-LSDHHAIUSA-N 1 0 375.535 1.505 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Br)n[nH]1 ZINC000831350806 654980761 /nfs/dbraw/zinc/98/07/61/654980761.db2.gz KNFXCZVFTFCWAH-KBPBESRZSA-N 1 0 393.285 1.785 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000788071895 654981477 /nfs/dbraw/zinc/98/14/77/654981477.db2.gz ZSTFOBVRMAXXOZ-GFCCVEGCSA-N 1 0 375.516 1.361 20 0 GDADRO CCO[C@@H](CNC(=O)/C=C\c1ccc(I)o1)C[NH+](C)C ZINC000831693976 654992482 /nfs/dbraw/zinc/99/24/82/654992482.db2.gz CFEZCNKDRSCEAK-VFFGBVLKSA-N 1 0 392.237 1.980 20 0 GDADRO CC(C)Cc1ncnc(NC[C@@H](O)C[NH+](C)C)c1I ZINC000804344482 654992742 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COc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000789557770 655024873 /nfs/dbraw/zinc/02/48/73/655024873.db2.gz MBEMRJXUVHPVKP-NSHDSACASA-N 1 0 399.289 1.638 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000832405184 655029928 /nfs/dbraw/zinc/02/99/28/655029928.db2.gz BKWTYCDZOSNHOA-YHWZYXNKSA-N 1 0 387.527 1.550 20 0 GDADRO C[C@@H](CCNS(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000790047403 655039882 /nfs/dbraw/zinc/03/98/82/655039882.db2.gz BBEHEMPITIGQQX-AWEZNQCLSA-N 1 0 375.535 1.790 20 0 GDADRO CC[S@](=O)CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000805619884 655042539 /nfs/dbraw/zinc/04/25/39/655042539.db2.gz KHQAMAWAPWIHNZ-UMFZYTJCSA-N 1 0 385.555 1.132 20 0 GDADRO C[N@H+](CCn1nc2ccccn2c1=O)C[C@H](O)c1ccccc1Br ZINC000832673639 655044169 /nfs/dbraw/zinc/04/41/69/655044169.db2.gz VIOBGFGWGLFOSK-HNNXBMFYSA-N 1 0 391.269 1.924 20 0 GDADRO C[N@H+](CC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@H]1CCSC1 ZINC000758002010 655049268 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[NH3+]CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000841076122 655308370 /nfs/dbraw/zinc/30/83/70/655308370.db2.gz APTMWBGYIKIWFR-QLFBSQMISA-N 1 0 381.523 1.458 20 0 GDADRO O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841076812 655308417 /nfs/dbraw/zinc/30/84/17/655308417.db2.gz QGCDNCCQDOLHIC-BZUAXINKSA-N 1 0 377.535 1.767 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841095151 655308580 /nfs/dbraw/zinc/30/85/80/655308580.db2.gz BVLMPRAYVDRVRN-GDGBQDQQSA-N 1 0 379.360 1.328 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841095488 655308585 /nfs/dbraw/zinc/30/85/85/655308585.db2.gz HBLCIOBKTGIVBF-NSHDSACASA-N 1 0 381.376 1.848 20 0 GDADRO COc1ccc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)n1 ZINC000841144644 655310331 /nfs/dbraw/zinc/31/03/31/655310331.db2.gz KOQJADYPYWEENG-SNVBAGLBSA-N 1 0 381.786 1.701 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1 ZINC000841149245 655310572 /nfs/dbraw/zinc/31/05/72/655310572.db2.gz DVZXHJSYWJPRJZ-ZDUSSCGKSA-N 1 0 382.917 1.652 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841152169 655310748 /nfs/dbraw/zinc/31/07/48/655310748.db2.gz FLQAZRRTLJDOOW-UHFFFAOYSA-N 1 0 397.195 1.917 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cnc(Cl)c1Br ZINC000841162213 655311356 /nfs/dbraw/zinc/31/13/56/655311356.db2.gz YRFKMIJJEZCLNR-SSDOTTSWSA-N 1 0 375.654 1.565 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cnc(Cl)c1Br ZINC000841217777 655315127 /nfs/dbraw/zinc/31/51/27/655315127.db2.gz OSJAUMZJMZJIIU-VXNVDRBHSA-N 1 0 389.681 1.859 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000841221397 655315340 /nfs/dbraw/zinc/31/53/40/655315340.db2.gz BFGIUNGLCRFXGG-UHFFFAOYSA-N 1 0 398.257 1.499 20 0 GDADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841226605 655315781 /nfs/dbraw/zinc/31/57/81/655315781.db2.gz NUHDZPDDUXRINS-UHFFFAOYSA-N 1 0 381.274 1.775 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(Br)n1 ZINC000841235036 655316316 /nfs/dbraw/zinc/31/63/16/655316316.db2.gz OFOAXXKIJVZFQC-MRXNPFEDSA-N 1 0 381.274 1.693 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c(Br)n1 ZINC000841249239 655317345 /nfs/dbraw/zinc/31/73/45/655317345.db2.gz LMWFOQWETLXQGE-UHFFFAOYSA-N 1 0 381.274 1.693 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841258549 655317872 /nfs/dbraw/zinc/31/78/72/655317872.db2.gz XREODELHSJJVDF-SSDOTTSWSA-N 1 0 383.168 1.655 20 0 GDADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000841259108 655317903 /nfs/dbraw/zinc/31/79/03/655317903.db2.gz KFZQFQSEZRAFAR-LURJTMIESA-N 1 0 399.623 1.843 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC(C[NH+](C)C)CC1 ZINC000768300846 655318006 /nfs/dbraw/zinc/31/80/06/655318006.db2.gz FWDYWGIAXQGSQD-OAHLLOKOSA-N 1 0 388.965 1.978 20 0 GDADRO [NH3+]CC[C@H](NC(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1)C(F)(F)F ZINC000841335778 655319122 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GDADRO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C)nc2Br)CC[N@H+](C)C1 ZINC000841672843 655351967 /nfs/dbraw/zinc/35/19/67/655351967.db2.gz SDOQHPBZMYSWQF-NSHDSACASA-N 1 0 385.262 1.721 20 0 GDADRO C[NH2+]CCCNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000841866624 655354325 /nfs/dbraw/zinc/35/43/25/655354325.db2.gz MTSCHKRORMVPOG-UHFFFAOYSA-N 1 0 383.392 1.268 20 0 GDADRO C[C@@]1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(Cl)Cl ZINC000841909488 655354574 /nfs/dbraw/zinc/35/45/74/655354574.db2.gz CDBPMHYBLTXBCL-KOLCDFICSA-N 1 0 377.238 1.706 20 0 GDADRO O=C(NCc1cc(F)cnc1Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841908386 655354617 /nfs/dbraw/zinc/35/46/17/655354617.db2.gz ZVVLYZQVGCRWIF-NSHDSACASA-N 1 0 383.777 1.509 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000841918768 655354739 /nfs/dbraw/zinc/35/47/39/655354739.db2.gz BEVSWLMJNKOXHY-OAHLLOKOSA-N 1 0 375.300 1.621 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000842012305 655355162 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CN(C[C@@H](O)c1cccc(Br)c1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000817992207 655363735 /nfs/dbraw/zinc/36/37/35/655363735.db2.gz QRNXXWZPVYOKBW-OAHLLOKOSA-N 1 0 398.301 1.138 20 0 GDADRO C[C@@H](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000818006882 655364309 /nfs/dbraw/zinc/36/43/09/655364309.db2.gz PJSYKKCVMAQDNG-JQWIXIFHSA-N 1 0 376.910 1.282 20 0 GDADRO C[C@@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)NS(=O)(=O)c1cccnc1Cl ZINC000818008043 655364379 /nfs/dbraw/zinc/36/43/79/655364379.db2.gz OAIALPOJWKGGPA-BFQNTYOBSA-N 1 0 388.921 1.235 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016700 655364712 /nfs/dbraw/zinc/36/47/12/655364712.db2.gz MIGDAJMAZRTPHD-KRWDZBQOSA-N 1 0 391.269 1.514 20 0 GDADRO C[C@H]1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000842485226 655368040 /nfs/dbraw/zinc/36/80/40/655368040.db2.gz FPCNIENIXDBBGK-WDEREUQCSA-N 1 0 379.404 1.793 20 0 GDADRO C[C@H]1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C[C@@H]1C[NH3+] 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1.866 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000842695122 655371564 /nfs/dbraw/zinc/37/15/64/655371564.db2.gz XZFPGKABQSDRRJ-UHFFFAOYSA-N 1 0 397.444 1.351 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)[C@@H]1CCC[NH2+]C1 ZINC000842696981 655371693 /nfs/dbraw/zinc/37/16/93/655371693.db2.gz JWBXURMQSUQWOW-GHMZBOCLSA-N 1 0 382.454 1.349 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2C[NH3+])s1 ZINC000842697873 655371819 /nfs/dbraw/zinc/37/18/19/655371819.db2.gz GKVUUHZHVUVXMV-QMMMGPOBSA-N 1 0 397.316 1.799 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc1 ZINC000842701716 655372085 /nfs/dbraw/zinc/37/20/85/655372085.db2.gz VEIJKSHXZHQSRN-UHFFFAOYSA-N 1 0 382.507 1.211 20 0 GDADRO CC[NH2+]CCNS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br ZINC000842702108 655372108 /nfs/dbraw/zinc/37/21/08/655372108.db2.gz DTODLQRAOISYMH-UHFFFAOYSA-N 1 0 393.303 1.822 20 0 GDADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000842704649 655372401 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GDADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842742577 655374727 /nfs/dbraw/zinc/37/47/27/655374727.db2.gz XBQOUDDNOOMNOF-UHFFFAOYSA-N 1 0 396.481 1.836 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(C)c1Cl ZINC000842744199 655374871 /nfs/dbraw/zinc/37/48/71/655374871.db2.gz QBTFTHPTGPPMAQ-BDAKNGLRSA-N 1 0 382.891 1.233 20 0 GDADRO O=C(NC[C@H]1CCCN(S(=O)(=O)c2cccnc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000842748327 655375046 /nfs/dbraw/zinc/37/50/46/655375046.db2.gz BFKHVOLJSXSJMP-CHWSQXEVSA-N 1 0 386.905 1.004 20 0 GDADRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818522439 655376005 /nfs/dbraw/zinc/37/60/05/655376005.db2.gz UNJDYHSXNSTWEZ-AWEZNQCLSA-N 1 0 377.304 1.956 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000842787123 655376855 /nfs/dbraw/zinc/37/68/55/655376855.db2.gz IPCLVMMBBHRESJ-UWVGGRQHSA-N 1 0 391.287 1.594 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000818594349 655376899 /nfs/dbraw/zinc/37/68/99/655376899.db2.gz LSJQQNXUNNIKHP-QGZVFWFLSA-N 1 0 385.917 1.935 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842788248 655377007 /nfs/dbraw/zinc/37/70/07/655377007.db2.gz GHXIHFXXFYWENI-NXEZZACHSA-N 1 0 386.417 1.338 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(Br)o1 ZINC000842790692 655377292 /nfs/dbraw/zinc/37/72/92/655377292.db2.gz LXWGYJVQULRPQI-YUMQZZPRSA-N 1 0 381.248 1.187 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)CC[NH3+])c(F)cc1Br ZINC000842791228 655377299 /nfs/dbraw/zinc/37/72/99/655377299.db2.gz SJGMBCIYRHVRRH-SSDOTTSWSA-N 1 0 383.239 1.390 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(Br)o1 ZINC000842814655 655378919 /nfs/dbraw/zinc/37/89/19/655378919.db2.gz KRLPAMSEERBSPP-HTQZYQBOSA-N 1 0 381.248 1.248 20 0 GDADRO C[C@@]1(CNS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CCC[NH2+]C1 ZINC000842827369 655379994 /nfs/dbraw/zinc/37/99/94/655379994.db2.gz FHIFWURYLWJJCR-CQSZACIVSA-N 1 0 379.404 1.855 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000842837550 655380564 /nfs/dbraw/zinc/38/05/64/655380564.db2.gz QSEJYHMYPSXPKE-DTWKUNHWSA-N 1 0 381.267 1.968 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000842850134 655380841 /nfs/dbraw/zinc/38/08/41/655380841.db2.gz KMAAZFJAMRMHKD-QGZVFWFLSA-N 1 0 385.917 1.806 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Cl ZINC000842877287 655382175 /nfs/dbraw/zinc/38/21/75/655382175.db2.gz XNARWCOIQTVDKX-MFKMUULPSA-N 1 0 378.903 1.116 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)s1 ZINC000818949040 655382188 /nfs/dbraw/zinc/38/21/88/655382188.db2.gz XUEXKTRYRACJOK-OAHLLOKOSA-N 1 0 393.531 1.022 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000842886401 655382665 /nfs/dbraw/zinc/38/26/65/655382665.db2.gz RXZPDXXEMXDENA-UWVGGRQHSA-N 1 0 393.303 1.948 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC12CCOCC2 ZINC000842896510 655383514 /nfs/dbraw/zinc/38/35/14/655383514.db2.gz VSLBRFCTXNWPQU-JTQLQIEISA-N 1 0 380.297 1.764 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819065121 655384541 /nfs/dbraw/zinc/38/45/41/655384541.db2.gz KCIXABHUDOIKGB-ZFWWWQNUSA-N 1 0 378.535 1.407 20 0 GDADRO Cn1cc(N2CC[C@H]([NH2+]C[C@H](O)c3cccc(Br)c3)C2=O)cn1 ZINC000819082708 655385021 /nfs/dbraw/zinc/38/50/21/655385021.db2.gz VHCWWTLDGMHTOX-GJZGRUSLSA-N 1 0 379.258 1.611 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C(=O)N1c1cnn(C)c1 ZINC000819121670 655386579 /nfs/dbraw/zinc/38/65/79/655386579.db2.gz INYGRTSUEIVHFE-HFBAOOFYSA-N 1 0 393.285 2.000 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCN1C1CCOCC1 ZINC000819129105 655386761 /nfs/dbraw/zinc/38/67/61/655386761.db2.gz AIPSTDAFEUXVSI-JKSUJKDBSA-N 1 0 383.286 1.852 20 0 GDADRO COCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000819153000 655386997 /nfs/dbraw/zinc/38/69/97/655386997.db2.gz GMJOTDHBIWYLDC-KGLIPLIRSA-N 1 0 381.274 1.825 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]C[C@@H]2CCCS2(=O)=O)CC1 ZINC000819171704 655387463 /nfs/dbraw/zinc/38/74/63/655387463.db2.gz MHAXCGDCVUKTII-YOEHRIQHSA-N 1 0 376.519 1.305 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819187857 655387923 /nfs/dbraw/zinc/38/79/23/655387923.db2.gz UWCLMFPNCJASDQ-IINYFYTJSA-N 1 0 395.294 1.493 20 0 GDADRO CCS(=O)(=O)CC[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000843115613 655388770 /nfs/dbraw/zinc/38/87/70/655388770.db2.gz HIGFLDWJWOFWCL-CQSZACIVSA-N 1 0 378.332 1.933 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000819256005 655388854 /nfs/dbraw/zinc/38/88/54/655388854.db2.gz GIOJQTQIKPTWBP-HNNXBMFYSA-N 1 0 378.516 1.517 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819264426 655389006 /nfs/dbraw/zinc/38/90/06/655389006.db2.gz TYVDVOPSLPDXSP-CYBMUJFWSA-N 1 0 398.298 1.044 20 0 GDADRO [NH3+]CCc1noc(-c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)n1 ZINC000843131231 655389081 /nfs/dbraw/zinc/38/90/81/655389081.db2.gz ZUNYTAQDDHZXSW-LLVKDONJSA-N 1 0 386.861 1.349 20 0 GDADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC000819347882 655390451 /nfs/dbraw/zinc/39/04/51/655390451.db2.gz ARYNVFCLTGAHCJ-CQSZACIVSA-N 1 0 388.555 1.250 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(C[NH3+])c1)NS(=O)(=O)c1cccnc1Cl ZINC000843288288 655390829 /nfs/dbraw/zinc/39/08/29/655390829.db2.gz AAZGQXGCTCZVFL-NSHDSACASA-N 1 0 382.873 1.889 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000843345748 655393258 /nfs/dbraw/zinc/39/32/58/655393258.db2.gz BYKVCFNDCZFOEB-LBPRGKRZSA-N 1 0 375.441 1.553 20 0 GDADRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000843399173 655394223 /nfs/dbraw/zinc/39/42/23/655394223.db2.gz OBASDUWRZVTOFG-KBPBESRZSA-N 1 0 377.551 1.939 20 0 GDADRO CS(=O)(=O)C1(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)CC[NH2+]CC1 ZINC000843438846 655394904 /nfs/dbraw/zinc/39/49/04/655394904.db2.gz SUYHZTVACOJJSD-UHFFFAOYSA-N 1 0 384.458 1.450 20 0 GDADRO Cn1nc(Br)c2c1ncnc2NCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000843430869 655394988 /nfs/dbraw/zinc/39/49/88/655394988.db2.gz HEMXYVGNGZMCSW-OAHLLOKOSA-N 1 0 396.293 1.044 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)NS(=O)(=O)c1cccnc1Cl ZINC000843482384 655396481 /nfs/dbraw/zinc/39/64/81/655396481.db2.gz UXCDOOWNNVWPIR-UPJWGTAASA-N 1 0 386.905 1.002 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1Cl ZINC000843484591 655396609 /nfs/dbraw/zinc/39/66/09/655396609.db2.gz LHCYTWFSMRTXOM-ZBFHGGJFSA-N 1 0 386.901 1.712 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)[C@H](C)[NH3+] ZINC000843486666 655396792 /nfs/dbraw/zinc/39/67/92/655396792.db2.gz IMYFREUBXBONHU-DTWKUNHWSA-N 1 0 378.292 1.165 20 0 GDADRO [NH3+]CCCCCCNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000843509965 655397288 /nfs/dbraw/zinc/39/72/88/655397288.db2.gz HXJPXMKDHWHKDK-UHFFFAOYSA-N 1 0 375.441 1.654 20 0 GDADRO [NH3+]CCCCCCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000843510822 655397300 /nfs/dbraw/zinc/39/73/00/655397300.db2.gz YWJXQOGRGZEALU-UHFFFAOYSA-N 1 0 391.584 1.735 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)ccc1Cl ZINC000843514578 655397444 /nfs/dbraw/zinc/39/74/44/655397444.db2.gz YZYCXRYFPJQRQQ-HNNXBMFYSA-N 1 0 385.917 1.995 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc(N)nc(Br)c3)CC2)C1 ZINC000820027084 655401543 /nfs/dbraw/zinc/40/15/43/655401543.db2.gz BFAFDXQJAUMLHC-ZDUSSCGKSA-N 1 0 382.306 1.278 20 0 GDADRO C[C@]1(C(N)=O)CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844705124 655413607 /nfs/dbraw/zinc/41/36/07/655413607.db2.gz QJSYGMHXTZJQJJ-KRWDZBQOSA-N 1 0 378.270 1.830 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)ncc2Cl)CC1=O ZINC000844762792 655414565 /nfs/dbraw/zinc/41/45/65/655414565.db2.gz KDWZJIOERYJALP-UHFFFAOYSA-N 1 0 389.681 1.344 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1nc(Br)c2ccccn21 ZINC000820989768 655420162 /nfs/dbraw/zinc/42/01/62/655420162.db2.gz ALANYNHRCOSEAY-LBPRGKRZSA-N 1 0 381.274 1.673 20 0 GDADRO CC[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000844924069 655421187 /nfs/dbraw/zinc/42/11/87/655421187.db2.gz WDGYODVNTGEPLC-RBSFLKMASA-N 1 0 375.535 1.788 20 0 GDADRO Nc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc(Br)n1 ZINC000821043288 655421217 /nfs/dbraw/zinc/42/12/17/655421217.db2.gz RBPUONGYIBOPJI-KGLIPLIRSA-N 1 0 397.317 1.924 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000844962800 655421452 /nfs/dbraw/zinc/42/14/52/655421452.db2.gz FMUJRSNHDCVZIG-IRXDYDNUSA-N 1 0 376.904 1.933 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCC[C@H]2CC2(Cl)Cl)C1 ZINC000845005577 655422139 /nfs/dbraw/zinc/42/21/39/655422139.db2.gz NDJMXCSNSKRZKA-OLZOCXBDSA-N 1 0 379.332 1.847 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000845418035 655428843 /nfs/dbraw/zinc/42/88/43/655428843.db2.gz VUIUFBUJWNMPHV-IRXDYDNUSA-N 1 0 376.904 1.887 20 0 GDADRO C[C@H](CNC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000821520177 655431212 /nfs/dbraw/zinc/43/12/12/655431212.db2.gz JLIDERURHRBYEX-SHZVTRLKSA-N 1 0 375.535 1.201 20 0 GDADRO Cc1ccc(Br)c(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)n1 ZINC000821952815 655437709 /nfs/dbraw/zinc/43/77/09/655437709.db2.gz LDGDFMMLPTZYEW-ZDUSSCGKSA-N 1 0 395.301 1.579 20 0 GDADRO CSc1nnc(CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)s1 ZINC000845989592 655442202 /nfs/dbraw/zinc/44/22/02/655442202.db2.gz INVMQTPNGZBGSZ-JTQLQIEISA-N 1 0 389.547 1.721 20 0 GDADRO C[NH+]1CCC2(CCCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)C2)CC1 ZINC000822661216 655449002 /nfs/dbraw/zinc/44/90/02/655449002.db2.gz LORIWEDYOIIINA-STQMWFEESA-N 1 0 382.448 1.544 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000846189622 655449532 /nfs/dbraw/zinc/44/95/32/655449532.db2.gz QYCLYRAMJKUPHU-SOUVJXGZSA-N 1 0 375.535 1.836 20 0 GDADRO Brc1cc(Cc2noc(C[C@@H]3COCC[NH2+]3)n2)cc2c1OCCO2 ZINC000822947572 655454312 /nfs/dbraw/zinc/45/43/12/655454312.db2.gz VESQJMZXTYRONH-LLVKDONJSA-N 1 0 396.241 1.725 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC000823021374 655455369 /nfs/dbraw/zinc/45/53/69/655455369.db2.gz VCGNRIMIJAVOKF-GJZGRUSLSA-N 1 0 376.519 1.113 20 0 GDADRO CCn1ncc(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1Br ZINC000823056545 655455900 /nfs/dbraw/zinc/45/59/00/655455900.db2.gz JBAYUXAYZMERKP-GFCCVEGCSA-N 1 0 385.306 1.991 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000823193543 655458010 /nfs/dbraw/zinc/45/80/10/655458010.db2.gz RYOJFPMIDHLVCE-GFCCVEGCSA-N 1 0 385.306 1.939 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NCCC2(C[NH3+])CC2)sc1Br ZINC000846692871 655458958 /nfs/dbraw/zinc/45/89/58/655458958.db2.gz ZYJOKNCIECODNS-UHFFFAOYSA-N 1 0 382.305 1.017 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000823520989 655464404 /nfs/dbraw/zinc/46/44/04/655464404.db2.gz RUQYUTRAXIGXJJ-ZIAGYGMSSA-N 1 0 376.519 1.352 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1nc(Br)c2ccccn21 ZINC000823567168 655465010 /nfs/dbraw/zinc/46/50/10/655465010.db2.gz PABGJNTTYOSMEB-NSHDSACASA-N 1 0 394.273 1.289 20 0 GDADRO C[N@@H+]1CC[C@@H](CCOC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 ZINC000847828033 655477283 /nfs/dbraw/zinc/47/72/83/655477283.db2.gz KEAXZVCSUKRFLB-AWEZNQCLSA-N 1 0 386.539 1.960 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000825175933 655485160 /nfs/dbraw/zinc/48/51/60/655485160.db2.gz XKWIHKFFELPVMZ-ZDUSSCGKSA-N 1 0 389.315 1.971 20 0 GDADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000825264048 655486822 /nfs/dbraw/zinc/48/68/22/655486822.db2.gz ZAXBBABVXQXGHU-GFCCVEGCSA-N 1 0 375.288 1.723 20 0 GDADRO Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H](C[NH3+])C(F)(F)F)cs1 ZINC000848436912 655489878 /nfs/dbraw/zinc/48/98/78/655489878.db2.gz BFRHSRVKWJNOGU-JTQLQIEISA-N 1 0 376.360 1.845 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC000848441602 655490274 /nfs/dbraw/zinc/49/02/74/655490274.db2.gz YSIOFNNGPRMKEY-UHFFFAOYSA-N 1 0 376.450 1.167 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)CCO)c1ccc(I)cc1 ZINC000825526180 655490460 /nfs/dbraw/zinc/49/04/60/655490460.db2.gz DUGJNJMTSIPGSM-LBPRGKRZSA-N 1 0 390.265 1.777 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000825598009 655491920 /nfs/dbraw/zinc/49/19/20/655491920.db2.gz XNXOXWCCILDJKV-NSHDSACASA-N 1 0 390.303 1.263 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(Br)n(C)n3)CC2)c1 ZINC000825720174 655492890 /nfs/dbraw/zinc/49/28/90/655492890.db2.gz ALNLTLHMNPSVNC-UHFFFAOYSA-N 1 0 380.246 1.549 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000848475843 655493654 /nfs/dbraw/zinc/49/36/54/655493654.db2.gz UCESURZJQIFSPY-PHIMTYICSA-N 1 0 380.919 1.362 20 0 GDADRO CCOC(=O)N1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000825835598 655494202 /nfs/dbraw/zinc/49/42/02/655494202.db2.gz GJANRPCBRUJKIG-MRXNPFEDSA-N 1 0 384.274 1.924 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000848546612 655496468 /nfs/dbraw/zinc/49/64/68/655496468.db2.gz DDWMYXZDWYCGIH-KGLIPLIRSA-N 1 0 378.539 1.244 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000848535560 655496478 /nfs/dbraw/zinc/49/64/78/655496478.db2.gz HIEXVVIGDWORNX-RBSFLKMASA-N 1 0 375.535 1.836 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000848535441 655496482 /nfs/dbraw/zinc/49/64/82/655496482.db2.gz ZJQATOJEJXYHFY-HNNXBMFYSA-N 1 0 381.489 1.094 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)C(F)(F)F ZINC000848595304 655497109 /nfs/dbraw/zinc/49/71/09/655497109.db2.gz LBMHOQBGCCNCKR-MWLCHTKSSA-N 1 0 383.754 1.333 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000848613260 655497490 /nfs/dbraw/zinc/49/74/90/655497490.db2.gz FZYWKPDVCCZOHR-UHFFFAOYSA-N 1 0 394.313 1.976 20 0 GDADRO Cn1cc(Br)c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1=O ZINC000826752177 655500785 /nfs/dbraw/zinc/50/07/85/655500785.db2.gz XQVLFVXIUOVBIU-CYBMUJFWSA-N 1 0 382.302 2.000 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848936672 655502311 /nfs/dbraw/zinc/50/23/11/655502311.db2.gz FQRIACHRHSFTPR-RBGFHDKUSA-N 1 0 383.583 1.615 20 0 GDADRO Cc1cc([C@H]([NH3+])CC(=O)NCc2cccc(S(N)(=O)=O)c2)cc(Cl)n1 ZINC000826912705 655503006 /nfs/dbraw/zinc/50/30/06/655503006.db2.gz GHYHUBQXAFNMLA-CQSZACIVSA-N 1 0 382.873 1.397 20 0 GDADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2nn(C)cc2Br)C[C@@H]1C ZINC000827133079 655506312 /nfs/dbraw/zinc/50/63/12/655506312.db2.gz PTIVIFMDSUVZSR-TXEJJXNPSA-N 1 0 388.310 1.433 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1Br)N1CC[NH+](C)CC1 ZINC000827579958 655513409 /nfs/dbraw/zinc/51/34/09/655513409.db2.gz NAWQGUILEQCWJR-GFCCVEGCSA-N 1 0 386.338 1.766 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)n1 ZINC000827836627 655517116 /nfs/dbraw/zinc/51/71/16/655517116.db2.gz HVFTYOZVJYDQBV-NSHDSACASA-N 1 0 385.306 1.938 20 0 GDADRO [NH2+]=C(NC[C@H](O)COc1ccc(I)cc1)NC1CCC1 ZINC000849111712 655517377 /nfs/dbraw/zinc/51/73/77/655517377.db2.gz BGPGKMSSCOHASI-LBPRGKRZSA-N 1 0 389.237 1.697 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000849189422 655520406 /nfs/dbraw/zinc/52/04/06/655520406.db2.gz KAGFUZBQFMNLGQ-CYBMUJFWSA-N 1 0 389.905 1.074 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CC1(S(C)(=O)=O)CCCCC1 ZINC000849328593 655522021 /nfs/dbraw/zinc/52/20/21/655522021.db2.gz GOFKFODCIIRLMB-INIZCTEOSA-N 1 0 378.535 1.599 20 0 GDADRO Cn1cc(S(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nc1Cl ZINC000849428097 655533575 /nfs/dbraw/zinc/53/35/75/655533575.db2.gz SLACOVNJOSUBTK-CQSZACIVSA-N 1 0 384.889 1.119 20 0 GDADRO C[C@H](Cn1cncn1)[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000850446748 655555254 /nfs/dbraw/zinc/55/52/54/655555254.db2.gz ATGBHAJAZMIIAQ-LLVKDONJSA-N 1 0 378.376 1.629 20 0 GDADRO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850490188 655556425 /nfs/dbraw/zinc/55/64/25/655556425.db2.gz WMRKDMGQZRNFTC-WBMJQRKESA-N 1 0 390.527 1.224 20 0 GDADRO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000850510821 655556953 /nfs/dbraw/zinc/55/69/53/655556953.db2.gz YDCTULZQCDRVTC-WBMJQRKESA-N 1 0 379.425 1.502 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850549628 655558754 /nfs/dbraw/zinc/55/87/54/655558754.db2.gz ILJRGMHSTCPFCY-SNVBAGLBSA-N 1 0 399.289 1.780 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cnc1Cl ZINC000850588524 655559279 /nfs/dbraw/zinc/55/92/79/655559279.db2.gz JTHJMMHKLYAFQB-HIFRSBDPSA-N 1 0 389.905 1.651 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cnc1Cl ZINC000850590210 655559388 /nfs/dbraw/zinc/55/93/88/655559388.db2.gz ZEEZXLSSPBTHFR-OBJOEFQTSA-N 1 0 389.905 1.651 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)ccc1F ZINC000850592407 655559551 /nfs/dbraw/zinc/55/95/51/655559551.db2.gz PYWZNGDZEXPSOK-LLVKDONJSA-N 1 0 376.475 1.182 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000850593198 655559841 /nfs/dbraw/zinc/55/98/41/655559841.db2.gz KKOJEYAXDBYFEC-VIFPVBQESA-N 1 0 390.303 1.244 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)c(Br)o1 ZINC000850593533 655559929 /nfs/dbraw/zinc/55/99/29/655559929.db2.gz VFYMEXILIQASKD-MRVPVSSYSA-N 1 0 383.264 1.480 20 0 GDADRO O=C(NCCC1SCCS1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000850667595 655563417 /nfs/dbraw/zinc/56/34/17/655563417.db2.gz VNNBKTXKFWQPLN-DZGCQCFKSA-N 1 0 383.583 1.774 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)CC[C@@H]1[NH3+] ZINC000850821932 655568898 /nfs/dbraw/zinc/56/88/98/655568898.db2.gz CGYVDZHFSKQBEY-BDAKNGLRSA-N 1 0 382.877 1.331 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000850824375 655569004 /nfs/dbraw/zinc/56/90/04/655569004.db2.gz SLJBABBRZNMJCP-DTWKUNHWSA-N 1 0 382.877 1.522 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)n1 ZINC000850824973 655569046 /nfs/dbraw/zinc/56/90/46/655569046.db2.gz IVSCWJRNMHJGLW-SECBINFHSA-N 1 0 382.877 1.394 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)n1 ZINC000850826461 655569140 /nfs/dbraw/zinc/56/91/40/655569140.db2.gz HRXWAZIXDXSJDE-HNNXBMFYSA-N 1 0 382.877 1.333 20 0 GDADRO COC[C@@]1(CNC(=O)[C@]2(C)CC2(Br)Br)CCC[NH2+]1 ZINC000851636284 655589572 /nfs/dbraw/zinc/58/95/72/655589572.db2.gz RDFPHJZKTMCUQJ-QWRGUYRKSA-N 1 0 384.112 1.767 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)n1 ZINC000851678717 655590325 /nfs/dbraw/zinc/59/03/25/655590325.db2.gz HVQNGDKJRKXFCZ-NSHDSACASA-N 1 0 386.239 1.481 20 0 GDADRO [NH3+]CCCN(Cc1ccccc1)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000851672802 655590341 /nfs/dbraw/zinc/59/03/41/655590341.db2.gz UMLNTEFAFGLMHX-UHFFFAOYSA-N 1 0 381.420 1.524 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000851690942 655590623 /nfs/dbraw/zinc/59/06/23/655590623.db2.gz OHBJBJFNBKMJHX-SMDDNHRTSA-N 1 0 384.274 1.073 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000851719024 655592560 /nfs/dbraw/zinc/59/25/60/655592560.db2.gz FBNYSUWFHLCVAB-GJZGRUSLSA-N 1 0 378.406 1.142 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000851720623 655592651 /nfs/dbraw/zinc/59/26/51/655592651.db2.gz OVLIKAQQSGIERV-DOMZBBRYSA-N 1 0 394.430 1.911 20 0 GDADRO NC(=O)[C@@](O)(C[NH+]1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000851765024 655593971 /nfs/dbraw/zinc/59/39/71/655593971.db2.gz LKZCODNXPVHBMB-QGZVFWFLSA-N 1 0 393.285 1.656 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000851768801 655594243 /nfs/dbraw/zinc/59/42/43/655594243.db2.gz OCSDEFHTXORERK-MNOVXSKESA-N 1 0 376.312 1.666 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000852208273 655610119 /nfs/dbraw/zinc/61/01/19/655610119.db2.gz SIVCGLADJORWAA-JQWIXIFHSA-N 1 0 376.312 1.571 20 0 GDADRO NS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472212 655616120 /nfs/dbraw/zinc/61/61/20/655616120.db2.gz AKYCEZZQWCQUAP-CHWSQXEVSA-N 1 0 385.452 1.320 20 0 GDADRO O=C1NCC[C@H]1CC[NH+]1CCC(n2nncc2I)CC1 ZINC000852532042 655617051 /nfs/dbraw/zinc/61/70/51/655617051.db2.gz BRSUPIUWAWYWEK-JTQLQIEISA-N 1 0 389.241 1.046 20 0 GDADRO CN(C)C(=O)CCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852532822 655617498 /nfs/dbraw/zinc/61/74/98/655617498.db2.gz QYSVGFPFYAPXMO-UHFFFAOYSA-N 1 0 391.257 1.388 20 0 GDADRO O=C(C=C1CC[NH2+]CC1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000852805453 655623004 /nfs/dbraw/zinc/62/30/04/655623004.db2.gz ZPVGSAMTUSUIEE-UHFFFAOYSA-N 1 0 377.388 1.776 20 0 GDADRO CC(C)(C)n1ncc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1Br ZINC000852818231 655623509 /nfs/dbraw/zinc/62/35/09/655623509.db2.gz GHQAVFBUHVINBK-LBPRGKRZSA-N 1 0 384.322 1.520 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)=NO1 ZINC000852830463 655623897 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CCOC(=O)c1cc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c(F)cc1C ZINC000853080851 655632229 /nfs/dbraw/zinc/63/22/29/655632229.db2.gz FTNQEYBXNSIPHM-GFCCVEGCSA-N 1 0 386.367 1.821 20 0 GDADRO CN(C)S(=O)(=O)c1ccc2oc(=S)n(CN(C)CC3C[NH+](C)C3)c2c1 ZINC000853555633 655642689 /nfs/dbraw/zinc/64/26/89/655642689.db2.gz MESLOLSCQVMPSA-UHFFFAOYSA-N 1 0 384.527 1.665 20 0 GDADRO CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000853821147 655651153 /nfs/dbraw/zinc/65/11/53/655651153.db2.gz UPYBOIXSMSJWAY-WBMJQRKESA-N 1 0 384.575 1.430 20 0 GDADRO COc1nc(-c2noc(-c3c[nH]nc3[C@H]3CC[NH2+]C3)n2)ncc1Br ZINC000854148580 655657634 /nfs/dbraw/zinc/65/76/34/655657634.db2.gz HQZSVPUWRPJUMD-ZETCQYMHSA-N 1 0 392.217 1.765 20 0 GDADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000854651724 655673458 /nfs/dbraw/zinc/67/34/58/655673458.db2.gz LCWOTFZXEZESPD-BXKDBHETSA-N 1 0 390.303 1.261 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000855163720 655686030 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C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000856139294 655708773 /nfs/dbraw/zinc/70/87/73/655708773.db2.gz SPWVKJHYOCXQHG-IUODEOHRSA-N 1 0 388.295 1.553 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000856139293 655708778 /nfs/dbraw/zinc/70/87/78/655708778.db2.gz SPWVKJHYOCXQHG-DOMZBBRYSA-N 1 0 388.295 1.553 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)C1 ZINC000856442466 655713570 /nfs/dbraw/zinc/71/35/70/655713570.db2.gz MIMGKXLIVJEMDT-INIZCTEOSA-N 1 0 375.441 1.302 20 0 GDADRO O=C(NCC[C@H]1CC1(Cl)Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000857103673 655727889 /nfs/dbraw/zinc/72/78/89/655727889.db2.gz MIRAGCBJOQSLFP-UWVGGRQHSA-N 1 0 377.238 1.706 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)NCC[C@@H]2CC2(Cl)Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000857104970 655727900 /nfs/dbraw/zinc/72/79/00/655727900.db2.gz BWJUGROFEQQHLM-MJBXVCDLSA-N 1 0 391.343 1.860 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 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377.388 1.512 20 0 GDADRO Cc1c(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cnc(Cl)c1Br ZINC000860933269 655810674 /nfs/dbraw/zinc/81/06/74/655810674.db2.gz RRVUYOQWCIHMKS-VIFPVBQESA-N 1 0 377.670 1.994 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cnn(C)c1I ZINC000861037676 655812712 /nfs/dbraw/zinc/81/27/12/655812712.db2.gz FOBNFWTYCMHMBD-JTQLQIEISA-N 1 0 393.225 1.292 20 0 GDADRO Cc1cnc(Cl)c(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000861515975 655824278 /nfs/dbraw/zinc/82/42/78/655824278.db2.gz UMLZKHLOOVFZRW-ZJUUUORDSA-N 1 0 378.782 1.968 20 0 GDADRO Cc1cc(Cl)ncc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000861515837 655824282 /nfs/dbraw/zinc/82/42/82/655824282.db2.gz OQEMLYZPBPIUQW-UWVGGRQHSA-N 1 0 378.782 1.968 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000861542280 655825508 /nfs/dbraw/zinc/82/55/08/655825508.db2.gz NNZIEEZVAOFYAF-SNVBAGLBSA-N 1 0 384.267 1.982 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(F)cc1I ZINC000861542303 655825539 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20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(I)nn1C ZINC000864879435 655907749 /nfs/dbraw/zinc/90/77/49/655907749.db2.gz KEHNYWJOMQQKNE-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO CC[NH+]1CCC(NC(=O)CN2C(=O)c3c(cccc3Cl)S2(=O)=O)CC1 ZINC000865389535 655918611 /nfs/dbraw/zinc/91/86/11/655918611.db2.gz AXCNVYFCHDXRLT-UHFFFAOYSA-N 1 0 385.873 1.085 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000865489908 655920769 /nfs/dbraw/zinc/92/07/69/655920769.db2.gz JLAXIFOEFHEBSR-RRFJBIMHSA-N 1 0 375.535 1.693 20 0 GDADRO COC1CC[NH+](CCNc2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865594384 655922540 /nfs/dbraw/zinc/92/25/40/655922540.db2.gz RQLBIFJMJRRMAD-UHFFFAOYSA-N 1 0 392.319 1.619 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)n1 ZINC000865748047 655925857 /nfs/dbraw/zinc/92/58/57/655925857.db2.gz YZKWMDUZFNSAAL-NEPJUHHUSA-N 1 0 389.294 1.643 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)n1 ZINC000865748049 655925867 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C[NH+](C)[C@@]1(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CC2(F)F)CCSC1 ZINC000866333385 655937870 /nfs/dbraw/zinc/93/78/70/655937870.db2.gz JHSJGRCWGRFRLZ-HUUCEWRRSA-N 1 0 379.473 1.842 20 0 GDADRO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)N=[S@@](C)(=O)CC ZINC000866498657 655947447 /nfs/dbraw/zinc/94/74/47/655947447.db2.gz AYYCPFUESSHDES-DEOSSOPVSA-N 1 0 391.559 1.859 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cn(C)nc1Br)C[NH+]1CCCCC1 ZINC000866557983 655949545 /nfs/dbraw/zinc/94/95/45/655949545.db2.gz STDLECSCRZJMBB-NSHDSACASA-N 1 0 379.324 1.583 20 0 GDADRO CN(C[C@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000866644737 655952402 /nfs/dbraw/zinc/95/24/02/655952402.db2.gz AMPUNKAJKDYTRO-OAHLLOKOSA-N 1 0 377.551 1.847 20 0 GDADRO C[C@H](NS(=O)(=O)CCC[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000866695352 655954992 /nfs/dbraw/zinc/95/49/92/655954992.db2.gz VIAQJOZMGPYWLX-LSDHHAIUSA-N 1 0 377.551 1.893 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2ccc(Br)c(F)c2)C1 ZINC000866714256 655956239 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GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F ZINC000866809595 655966089 /nfs/dbraw/zinc/96/60/89/655966089.db2.gz LTKUSKYSQXLGQV-ZSBIGDGJSA-N 1 0 376.475 1.038 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1)C(F)(F)F ZINC000866825660 655967434 /nfs/dbraw/zinc/96/74/34/655967434.db2.gz RMLZYHAXIBBNEP-QWHCGFSZSA-N 1 0 377.388 1.702 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1Cl ZINC000866827730 655967547 /nfs/dbraw/zinc/96/75/47/655967547.db2.gz RQILHXGLXBJBLG-TZMCWYRMSA-N 1 0 375.853 1.953 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)n1 ZINC000866853848 655970691 /nfs/dbraw/zinc/97/06/91/655970691.db2.gz IBBJSVWZPNXAJD-NSHDSACASA-N 1 0 377.308 1.289 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2Br)C1 ZINC000866891938 655974360 /nfs/dbraw/zinc/97/43/60/655974360.db2.gz OARMQLASMODDGG-NSHDSACASA-N 1 0 379.324 1.535 20 0 GDADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866920698 655977312 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C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000867848112 656125239 /nfs/dbraw/zinc/12/52/39/656125239.db2.gz MLEYDPFYAKWJBW-INIZCTEOSA-N 1 0 381.274 1.626 20 0 GDADRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000867864161 656127198 /nfs/dbraw/zinc/12/71/98/656127198.db2.gz PQUYJZRWVLPZFU-QGZVFWFLSA-N 1 0 394.603 1.441 20 0 GDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1ccc(Br)cc1=O ZINC000867880012 656129210 /nfs/dbraw/zinc/12/92/10/656129210.db2.gz WOASUVUKIAVKPA-CYBMUJFWSA-N 1 0 398.301 1.323 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)O1 ZINC000867979144 656136580 /nfs/dbraw/zinc/13/65/80/656136580.db2.gz GAAAPOQCZUXWMM-HZSPNIEDSA-N 1 0 384.274 1.201 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H]2CC[NH2+]C2(C)C)c1I ZINC000867976052 656136611 /nfs/dbraw/zinc/13/66/11/656136611.db2.gz FASYJVFVEBVZRI-JTQLQIEISA-N 1 0 376.242 1.939 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000868052754 656138670 /nfs/dbraw/zinc/13/86/70/656138670.db2.gz RYYNRCFAMHDIAI-NSHDSACASA-N 1 0 384.221 1.383 20 0 GDADRO C[C@]1([NH3+])CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000868076619 656139651 /nfs/dbraw/zinc/13/96/51/656139651.db2.gz YXRQQHZHIXDIRT-HNNXBMFYSA-N 1 0 389.315 1.953 20 0 GDADRO O=C(Nc1cncc(Br)c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868138096 656141822 /nfs/dbraw/zinc/14/18/22/656141822.db2.gz DHGYHCDRHLIXSO-XQQFMLRXSA-N 1 0 396.245 1.243 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2OC)C1 ZINC000868243278 656145747 /nfs/dbraw/zinc/14/57/47/656145747.db2.gz DILVBRNDCZWANW-LLVKDONJSA-N 1 0 384.274 1.854 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)ccc1Br ZINC000868269038 656147826 /nfs/dbraw/zinc/14/78/26/656147826.db2.gz TVXFCSCKDDQDLB-NSHDSACASA-N 1 0 383.290 1.985 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)C1 ZINC000868306270 656150210 /nfs/dbraw/zinc/15/02/10/656150210.db2.gz QEYSFRMEIHKYQW-FKQCQYRASA-N 1 0 395.179 1.655 20 0 GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(I)nn1C ZINC000868335017 656150875 /nfs/dbraw/zinc/15/08/75/656150875.db2.gz BCRIVJSSLYBDCQ-WDEREUQCSA-N 1 0 388.253 1.724 20 0 GDADRO O=C(c1nc(Br)sc1Cl)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868343744 656151370 /nfs/dbraw/zinc/15/13/70/656151370.db2.gz JGKORIQTJKATBR-YUMQZZPRSA-N 1 0 380.695 1.840 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000868386750 656153297 /nfs/dbraw/zinc/15/32/97/656153297.db2.gz LCSVOVUYGVGWTD-AWEZNQCLSA-N 1 0 384.274 1.075 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1CCC(C[NH3+])CC1)c1cccc(Br)c1 ZINC000868386817 656153502 /nfs/dbraw/zinc/15/35/02/656153502.db2.gz JIEHYSAOUDVTDU-OAHLLOKOSA-N 1 0 398.301 1.450 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(I)nn1C ZINC000868418760 656154867 /nfs/dbraw/zinc/15/48/67/656154867.db2.gz NAYRRDIYPLZLCQ-SNVBAGLBSA-N 1 0 378.258 1.875 20 0 GDADRO CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1cccc(Br)c1 ZINC000868731950 656167024 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CC(C)n1ncc(C(=O)N[C@H]2CCC[NH2+]CC2)c1I ZINC000870939999 656256807 /nfs/dbraw/zinc/25/68/07/656256807.db2.gz GHDMXOATVLLQPK-JTQLQIEISA-N 1 0 376.242 1.941 20 0 GDADRO [NH3+][C@H](C(=O)N1CCC(N2CCOC2=O)CC1)c1cccc(Br)c1 ZINC000870957262 656259016 /nfs/dbraw/zinc/25/90/16/656259016.db2.gz CFZDIQXAGXHMGR-AWEZNQCLSA-N 1 0 382.258 1.892 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000870970563 656259302 /nfs/dbraw/zinc/25/93/02/656259302.db2.gz AIDYJRWQXLSFGQ-AULYBMBSSA-N 1 0 389.315 1.857 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870977607 656259477 /nfs/dbraw/zinc/25/94/77/656259477.db2.gz RNYQNDRHLCDEBK-SHHSBJBSSA-N 1 0 380.286 1.826 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000871019846 656260449 /nfs/dbraw/zinc/26/04/49/656260449.db2.gz MHFIIGCFSFAYSZ-TVQRCGJNSA-N 1 0 376.242 1.549 20 0 GDADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000871807491 656280397 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COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1sc(N(C)C)nc1Cl ZINC000876476024 656607175 /nfs/dbraw/zinc/60/71/75/656607175.db2.gz UCOOXQZZBOQFLQ-OAHLLOKOSA-N 1 0 376.910 1.282 20 0 GDADRO O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000876557828 656614141 /nfs/dbraw/zinc/61/41/41/656614141.db2.gz LVISRZARXFJVPD-GXFFZTMASA-N 1 0 395.909 1.182 20 0 GDADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000876591554 656615852 /nfs/dbraw/zinc/61/58/52/656615852.db2.gz KPOJRVSCONDVIF-CYBMUJFWSA-N 1 0 386.543 1.072 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000876594027 656616189 /nfs/dbraw/zinc/61/61/89/656616189.db2.gz YMRABOOPPLZRDF-OWCLPIDISA-N 1 0 385.917 1.183 20 0 GDADRO COC[C@@]1(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)C[NH2+]CCO1 ZINC000876682948 656623614 /nfs/dbraw/zinc/62/36/14/656623614.db2.gz OBLDQBVEJACMGP-BLLLJJGKSA-N 1 0 387.274 1.338 20 0 GDADRO CCCN(C(=O)c1cc(I)nn1C)C1CC[NH2+]CC1 ZINC000876707080 656625555 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[NH3+]C[C@H]1c2ccccc2CCN1C(=O)Cn1ccc(Br)cc1=O ZINC000876935589 656641180 /nfs/dbraw/zinc/64/11/80/656641180.db2.gz CHLODAAJGLVNGH-HNNXBMFYSA-N 1 0 376.254 1.696 20 0 GDADRO COC[C@@]1(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C[NH2+]CCO1 ZINC000876968556 656643037 /nfs/dbraw/zinc/64/30/37/656643037.db2.gz REFSMCCHJLNQIZ-GOSISDBHSA-N 1 0 397.313 1.893 20 0 GDADRO CC[NH2+][C@H](C)C(=O)N1CCC(n2nncc2I)CC1 ZINC000876969024 656643062 /nfs/dbraw/zinc/64/30/62/656643062.db2.gz MITIJXLPLQGEEP-SECBINFHSA-N 1 0 377.230 1.044 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)n1 ZINC000876962384 656643068 /nfs/dbraw/zinc/64/30/68/656643068.db2.gz QEKINZLZZRLNTF-DEOSSOPVSA-N 1 0 387.918 1.636 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000876990778 656644873 /nfs/dbraw/zinc/64/48/73/656644873.db2.gz CARDNIRRSSMCLF-KKUMJFAQSA-N 1 0 375.535 1.693 20 0 GDADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000876999754 656645383 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1.177 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@]12CCCO2 ZINC000877107657 656653665 /nfs/dbraw/zinc/65/36/65/656653665.db2.gz BLOOEJQALUUWPA-BFHYXJOUSA-N 1 0 386.436 1.617 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)=NO1 ZINC000877139595 656656193 /nfs/dbraw/zinc/65/61/93/656656193.db2.gz TVINCIQSENFRJV-LBPRGKRZSA-N 1 0 394.269 1.948 20 0 GDADRO [NH3+]CC12CCC(CC1)N2C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000877190940 656659168 /nfs/dbraw/zinc/65/91/68/656659168.db2.gz VYTUYPYGXCCBPP-UHFFFAOYSA-N 1 0 387.299 1.705 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)ccc1Br ZINC000877243954 656660356 /nfs/dbraw/zinc/66/03/56/656660356.db2.gz OSDQCQGZQCCGRX-HOMQSWHASA-N 1 0 390.303 1.167 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)ccc1Br ZINC000877244782 656660831 /nfs/dbraw/zinc/66/08/31/656660831.db2.gz OSDQCQGZQCCGRX-JGZJWPJOSA-N 1 0 390.303 1.167 20 0 GDADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1-n1cnnn1 ZINC000877245532 656660978 /nfs/dbraw/zinc/66/09/78/656660978.db2.gz FPRDDUJAVLPHDH-LMKPVCQUSA-N 1 0 391.273 1.685 20 0 GDADRO O=C(c1ccc2ncc(I)n2c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877281287 656663469 /nfs/dbraw/zinc/66/34/69/656663469.db2.gz HFRVYZJRQQLVNN-NEPJUHHUSA-N 1 0 396.232 1.905 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285075 656663964 /nfs/dbraw/zinc/66/39/64/656663964.db2.gz QNQXCWOCJZEZRP-GARJFASQSA-N 1 0 386.315 1.982 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000877291632 656664448 /nfs/dbraw/zinc/66/44/48/656664448.db2.gz KYTFMDUTNRMDDD-JLLWLGSASA-N 1 0 388.253 1.562 20 0 GDADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cnn2cc(Br)cnc12 ZINC000877328853 656667381 /nfs/dbraw/zinc/66/73/81/656667381.db2.gz LUBKOFBOYVBTGP-LBPRGKRZSA-N 1 0 394.273 1.380 20 0 GDADRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1nc2ncc(Br)cn2n1 ZINC000877345008 656668332 /nfs/dbraw/zinc/66/83/32/656668332.db2.gz TYVQFNQMQDSQOB-ZDUSSCGKSA-N 1 0 387.241 1.331 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877343856 656668610 /nfs/dbraw/zinc/66/86/10/656668610.db2.gz AKNWFRQGMJBZBY-HNNXBMFYSA-N 1 0 376.254 1.442 20 0 GDADRO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000924591900 656668931 /nfs/dbraw/zinc/66/89/31/656668931.db2.gz PAYMUOWLVBALHW-BZUAXINKSA-N 1 0 375.579 1.524 20 0 GDADRO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877363780 656669821 /nfs/dbraw/zinc/66/98/21/656669821.db2.gz HSYVDGLCTGECGT-GRYCIOLGSA-N 1 0 381.464 1.920 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2nc(N3CCCC3)ncc2Cl)C[C@H]1C(F)(F)F ZINC000877369842 656671852 /nfs/dbraw/zinc/67/18/52/656671852.db2.gz OMFZQMLQLSDKTO-VHSXEESVSA-N 1 0 377.798 1.939 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)s1 ZINC000877379485 656672837 /nfs/dbraw/zinc/67/28/37/656672837.db2.gz SSISLLGNVUSOFX-GRDNDAEWSA-N 1 0 383.539 1.278 20 0 GDADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000877394093 656673149 /nfs/dbraw/zinc/67/31/49/656673149.db2.gz QCLVAOHVJWKAGB-RDJZCZTQSA-N 1 0 383.901 1.894 20 0 GDADRO CN(C)Cc1csc(CNC(=O)N2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)n1 ZINC000924791123 656675339 /nfs/dbraw/zinc/67/53/39/656675339.db2.gz KVAHCVKSNSSUQW-IYBDPMFKSA-N 1 0 386.543 1.171 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CCS(=O)(=O)N(C)C)cc1Br ZINC000877542314 656679785 /nfs/dbraw/zinc/67/97/85/656679785.db2.gz NATGHNFRLJWNBW-UHFFFAOYSA-N 1 0 379.276 1.217 20 0 GDADRO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1CCCn1cc(Br)cn1 ZINC000924880391 656685581 /nfs/dbraw/zinc/68/55/81/656685581.db2.gz AIRAWMJNXLVVOW-CYBMUJFWSA-N 1 0 384.278 1.442 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000877662302 656686697 /nfs/dbraw/zinc/68/66/97/656686697.db2.gz PGSJCYMXYRGYBP-LSDHHAIUSA-N 1 0 375.535 1.647 20 0 GDADRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)c1ccc2[nH]cc(I)c2c1 ZINC000924993017 656690365 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381.464 1.913 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925257790 656703085 /nfs/dbraw/zinc/70/30/85/656703085.db2.gz BQNMQUQYQRGNCR-DZGCQCFKSA-N 1 0 386.949 1.963 20 0 GDADRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000925285810 656703720 /nfs/dbraw/zinc/70/37/20/656703720.db2.gz KTQNKDYEPUJREQ-OBJOEFQTSA-N 1 0 384.274 1.637 20 0 GDADRO Cc1ncc(CNC(=O)CC[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)s1 ZINC000878100636 656707117 /nfs/dbraw/zinc/70/71/17/656707117.db2.gz YGRUCOLEGOMTEN-GFCCVEGCSA-N 1 0 378.420 1.553 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000878184933 656710553 /nfs/dbraw/zinc/71/05/53/656710553.db2.gz CBSKFCBGDPIBCC-CYBMUJFWSA-N 1 0 385.306 1.438 20 0 GDADRO C[NH+](C)C1(CNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CCCC1 ZINC000878221873 656713044 /nfs/dbraw/zinc/71/30/44/656713044.db2.gz APDUZGHXMBFNEF-CYBMUJFWSA-N 1 0 385.555 1.578 20 0 GDADRO CN(CC(=O)NC1CC[NH+](C)CC1)[C@H](CO)c1cccc(Br)c1 ZINC000878328110 656719029 /nfs/dbraw/zinc/71/90/29/656719029.db2.gz AUIDHLVDVDTNLG-MRXNPFEDSA-N 1 0 384.318 1.625 20 0 GDADRO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cc(Br)ncc1F ZINC000925789120 656719250 /nfs/dbraw/zinc/71/92/50/656719250.db2.gz OXMFCYXTCZEOSA-NXEZZACHSA-N 1 0 380.283 1.411 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000925798374 656721688 /nfs/dbraw/zinc/72/16/88/656721688.db2.gz QEEBJCGINOJQOX-JKSUJKDBSA-N 1 0 387.343 1.673 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cs1)C(N)=O ZINC000878389803 656722094 /nfs/dbraw/zinc/72/20/94/656722094.db2.gz VDGCDGAVOYIYMB-FRRDWIJNSA-N 1 0 384.571 1.888 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)CCC2 ZINC000925852228 656723819 /nfs/dbraw/zinc/72/38/19/656723819.db2.gz FEJURGLNWAVVBZ-HUUCEWRRSA-N 1 0 377.432 1.986 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000925909604 656725799 /nfs/dbraw/zinc/72/57/99/656725799.db2.gz KAEITPFLVMUVBK-HNNXBMFYSA-N 1 0 386.246 1.538 20 0 GDADRO Cn1ncc(Br)c1CC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000878530536 656730822 /nfs/dbraw/zinc/73/08/22/656730822.db2.gz WNTFPENKHGKFAW-UHFFFAOYSA-N 1 0 395.301 1.982 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C[C@H](O)c2cc(Br)no2)CC1 ZINC000878543402 656731916 /nfs/dbraw/zinc/73/19/16/656731916.db2.gz AOIMPSIHGFETNK-LBPRGKRZSA-N 1 0 383.246 1.696 20 0 GDADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000926055626 656732485 /nfs/dbraw/zinc/73/24/85/656732485.db2.gz UPQYLFZZRIVHAJ-CYBMUJFWSA-N 1 0 393.200 1.748 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cc(Br)ccn1)C2 ZINC000926106740 656736525 /nfs/dbraw/zinc/73/65/25/656736525.db2.gz FRZAGRARRGGKOY-ISOBSLSZSA-N 1 0 383.246 1.588 20 0 GDADRO COC(=O)c1cc(NC(=O)N2CCNCC[NH2+]CC2)c(C)cc1Br ZINC000926117616 656737043 /nfs/dbraw/zinc/73/70/43/656737043.db2.gz ZGPYEDBZOCPDFB-UHFFFAOYSA-N 1 0 399.289 1.571 20 0 GDADRO CCOC(=O)Cc1cnc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000926136154 656737908 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ZHRGKDRAHLJHOO-GOEBONIOSA-N 1 0 397.313 1.485 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cs1)C(N)=O ZINC000878780040 656747898 /nfs/dbraw/zinc/74/78/98/656747898.db2.gz OFPQKEDARILIEG-GXTWGEPZSA-N 1 0 382.555 1.642 20 0 GDADRO O=S(=O)(NCC[NH2+][C@H]1CCOC12CCOCC2)c1ccc(Cl)cc1F ZINC000926357057 656749424 /nfs/dbraw/zinc/74/94/24/656749424.db2.gz MWSPZZUGZUJAAX-HNNXBMFYSA-N 1 0 392.880 1.685 20 0 GDADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926413516 656753091 /nfs/dbraw/zinc/75/30/91/656753091.db2.gz GVQILGOLNLICPM-WFASDCNBSA-N 1 0 398.301 1.138 20 0 GDADRO OCC1([C@H]([NH2+]C[C@@H](O)c2cc(Br)no2)[C@H]2CCCO2)CCC1 ZINC000878869083 656754396 /nfs/dbraw/zinc/75/43/96/656754396.db2.gz YPNJKLKUTLPOCQ-JTNHKYCSSA-N 1 0 375.263 1.770 20 0 GDADRO C[C@H]([NH2+]CCCn1cc(Br)cn1)C1CCN(S(C)(=O)=O)CC1 ZINC000926433446 656754851 /nfs/dbraw/zinc/75/48/51/656754851.db2.gz OIQCURRZMDYRPJ-LBPRGKRZSA-N 1 0 393.351 1.685 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)CN2CCCCS2(=O)=O)cc1Cl ZINC000878888447 656756574 /nfs/dbraw/zinc/75/65/74/656756574.db2.gz MUDQQMZQGBESLJ-UHFFFAOYSA-N 1 0 389.905 1.645 20 0 GDADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926512171 656759464 /nfs/dbraw/zinc/75/94/64/656759464.db2.gz KMVYCLDZFGVOEM-MJBXVCDLSA-N 1 0 377.551 1.938 20 0 GDADRO C[C@@H](NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)C(C)(C)C[NH+](C)C ZINC000878956321 656763033 /nfs/dbraw/zinc/76/30/33/656763033.db2.gz OIFPZCNWWPRYQV-CHWSQXEVSA-N 1 0 387.571 1.680 20 0 GDADRO CC(C)[C@@H](CNC(=O)Cc1c(Br)cnn1C)[NH+]1CCN(C)CC1 ZINC000879004081 656766096 /nfs/dbraw/zinc/76/60/96/656766096.db2.gz GMHQYWVBQGRLNJ-OAHLLOKOSA-N 1 0 386.338 1.113 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2c(Br)cnn2C)CC1 ZINC000879117608 656776059 /nfs/dbraw/zinc/77/60/59/656776059.db2.gz XVPDUOPTLLXQEQ-ZDUSSCGKSA-N 1 0 386.338 1.115 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CN1CCCCS1(=O)=O ZINC000879205445 656782609 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1.527 20 0 GDADRO Cc1c(Br)nccc1NC(=O)NCC[N@@H+](C)CCOCCO ZINC000879659514 656816655 /nfs/dbraw/zinc/81/66/55/656816655.db2.gz ARPCGAZVMJBFKO-UHFFFAOYSA-N 1 0 375.267 1.215 20 0 GDADRO CCN(CCC[NH+]1CCCC1)C(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC000879706034 656822187 /nfs/dbraw/zinc/82/21/87/656822187.db2.gz JGGRSBGYHOAPPE-ZDUSSCGKSA-N 1 0 384.571 1.986 20 0 GDADRO C[C@H](Sc1nc(CC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cs1)C(N)=O ZINC000879780627 656828898 /nfs/dbraw/zinc/82/88/98/656828898.db2.gz ZDEVMZRARWNAAW-LBPRGKRZSA-N 1 0 384.571 1.890 20 0 GDADRO Cc1c(C)c(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])ccc1I ZINC000927792604 656838635 /nfs/dbraw/zinc/83/86/35/656838635.db2.gz JYABAQYXTOJSKQ-MRVPVSSYSA-N 1 0 389.237 1.652 20 0 GDADRO Cc1c(C)c(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])ccc1I ZINC000927799544 656838902 /nfs/dbraw/zinc/83/89/02/656838902.db2.gz OURLDRBXHUYWHB-NXEZZACHSA-N 1 0 389.237 1.698 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)Nc1ccc(I)c(Cl)c1 ZINC000927796436 656839002 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GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000927888291 656851327 /nfs/dbraw/zinc/85/13/27/656851327.db2.gz GXRBDLKKYDFZCL-JTQLQIEISA-N 1 0 381.274 1.857 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC[C@@H]1C[NH3+] ZINC000927890232 656851378 /nfs/dbraw/zinc/85/13/78/656851378.db2.gz MUPDPNDGWKOTDS-CMPLNLGQSA-N 1 0 398.276 1.921 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC[C@@H]1C[NH3+] ZINC000927891529 656851893 /nfs/dbraw/zinc/85/18/93/656851893.db2.gz RSKKGVWYKFQNMF-RKDXNWHRSA-N 1 0 389.681 1.879 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000879993546 656852139 /nfs/dbraw/zinc/85/21/39/656852139.db2.gz XQLFMFBXPLNHDH-LBPRGKRZSA-N 1 0 395.253 1.742 20 0 GDADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2c(Br)cnn2C)CC1 ZINC000880068181 656865204 /nfs/dbraw/zinc/86/52/04/656865204.db2.gz ONOJNXFDAAUNPG-GFCCVEGCSA-N 1 0 385.306 1.437 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@H]1CSC(c2ccccc2O)=N1 ZINC000928077445 656866878 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CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000932947760 657233341 /nfs/dbraw/zinc/23/33/41/657233341.db2.gz CVPCSJZYBLQLEB-HUUCEWRRSA-N 1 0 375.535 1.634 20 0 GDADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000883027432 657265039 /nfs/dbraw/zinc/26/50/39/657265039.db2.gz BBGQNMQVNPERQY-LBPRGKRZSA-N 1 0 395.257 1.108 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2CC)s1 ZINC000883089496 657269070 /nfs/dbraw/zinc/26/90/70/657269070.db2.gz LLZYNONAHDIXEH-CYBMUJFWSA-N 1 0 388.559 1.672 20 0 GDADRO C[C@@H](NC(=O)c1nc(Br)c2ccccn21)[C@H]1C[N@H+](C)CCN1C ZINC000933380801 657274684 /nfs/dbraw/zinc/27/46/84/657274684.db2.gz AADDROMCQQPEKU-DGCLKSJQSA-N 1 0 380.290 1.461 20 0 GDADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C)[C@@H]1CCCOC1 ZINC000883222015 657278399 /nfs/dbraw/zinc/27/83/99/657278399.db2.gz LQADKULJEHWILF-GDBMZVCRSA-N 1 0 390.933 1.958 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883298468 657280100 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GDADRO CC(C)(C)n1ncc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)c1I ZINC000897877048 658897420 /nfs/dbraw/zinc/89/74/20/658897420.db2.gz SNTQEWMCXPZJIT-JTQLQIEISA-N 1 0 388.253 1.773 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CSC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000897957476 658904881 /nfs/dbraw/zinc/90/48/81/658904881.db2.gz XJPOLZWXYFFYEE-IJEWVQPXSA-N 1 0 381.929 1.880 20 0 GDADRO Cn1ncc2cc(C[NH2+][C@@H]3Cc4cc(Br)cnc4NC3=O)cnc21 ZINC000897979275 658908529 /nfs/dbraw/zinc/90/85/29/658908529.db2.gz ZCTDMDSBFSMFHK-CYBMUJFWSA-N 1 0 387.241 1.779 20 0 GDADRO Cn1c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc2cc(Br)cnc21 ZINC000898067827 658913808 /nfs/dbraw/zinc/91/38/08/658913808.db2.gz INXWTFNNMUGCDR-INIZCTEOSA-N 1 0 383.290 1.768 20 0 GDADRO O=c1cc(N2CC[C@@H](NCc3nc4ccccn4c3Br)C2)nc[nH]1 ZINC000898152978 658917697 /nfs/dbraw/zinc/91/76/97/658917697.db2.gz QZKGCFSCVVODRH-LLVKDONJSA-N 1 0 389.257 1.961 20 0 GDADRO Cn1nc2c(c1C[NH2+][C@H]1CCN(c3cn[nH]c(=O)c3Cl)C1)CSCC2 ZINC000898372640 658929165 /nfs/dbraw/zinc/92/91/65/658929165.db2.gz UZOZRMIWLFUMFD-JTQLQIEISA-N 1 0 380.905 1.727 20 0 GDADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000898400645 658934000 /nfs/dbraw/zinc/93/40/00/658934000.db2.gz FIQUGVJYQSIOTA-XMMPIXPASA-N 1 0 388.559 1.120 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CC([NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000898596996 658941397 /nfs/dbraw/zinc/94/13/97/658941397.db2.gz BDLHNYGLPXTUKF-INIZCTEOSA-N 1 0 380.286 1.933 20 0 GDADRO O=C(Cc1cc[nH]c(=O)c1Br)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898634733 658943066 /nfs/dbraw/zinc/94/30/66/658943066.db2.gz JPVFCZHMFSWPDV-UHFFFAOYSA-N 1 0 398.301 1.852 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898719680 658951879 /nfs/dbraw/zinc/95/18/79/658951879.db2.gz HQKYLTDNRYGVKY-LLVKDONJSA-N 1 0 385.287 1.398 20 0 GDADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1cn(Cc3cccnc3)nn1)CC2 ZINC000898723569 658952689 /nfs/dbraw/zinc/95/26/89/658952689.db2.gz GKDUWPRQRHRPAO-ZDUSSCGKSA-N 1 0 388.273 1.785 20 0 GDADRO CS(=O)(=O)CC1(CC(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)CC1 ZINC000899048923 658978694 /nfs/dbraw/zinc/97/86/94/658978694.db2.gz NIFJWLDGCUPWGH-UHFFFAOYSA-N 1 0 384.889 1.865 20 0 GDADRO O=C(N[C@H]1COc2cccc(Br)c2C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899182337 658992347 /nfs/dbraw/zinc/99/23/47/658992347.db2.gz XXBSEOHDQXUOSU-OLZOCXBDSA-N 1 0 381.270 1.590 20 0 GDADRO CCC1([NH+]2CCC2)CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000899562893 659029905 /nfs/dbraw/zinc/02/99/05/659029905.db2.gz LILBNRAJISEOKV-UHFFFAOYSA-N 1 0 393.289 1.977 20 0 GDADRO O=C1Cc2cc(Br)ccc2S(=O)(=O)N1C[C@@H]1CCCC[NH2+]C1 ZINC000899630259 659037516 /nfs/dbraw/zinc/03/75/16/659037516.db2.gz RYYMTKLYONCWRA-LLVKDONJSA-N 1 0 387.299 1.912 20 0 GDADRO C[NH+]1CCC(NCc2cn(C[C@@H](O)c3ccc(Br)cc3)nn2)CC1 ZINC000899733396 659056092 /nfs/dbraw/zinc/05/60/92/659056092.db2.gz SVSOPIGYIMTOAE-QGZVFWFLSA-N 1 0 394.317 1.958 20 0 GDADRO C[NH+]1CCC(NC(=O)Cn2nc(Br)c(Br)n2)CC1 ZINC000900001482 659082776 /nfs/dbraw/zinc/08/27/76/659082776.db2.gz FNMGFEVZUGSGRJ-UHFFFAOYSA-N 1 0 381.072 1.014 20 0 GDADRO Cc1nc(NC(=O)CCN2CC[NH+](C(C)C)CC2)sc1SCC(N)=O ZINC000900117448 659087195 /nfs/dbraw/zinc/08/71/95/659087195.db2.gz GZRHFQQTPPAYHF-UHFFFAOYSA-N 1 0 385.559 1.384 20 0 GDADRO C[C@H](CNC(=O)CSc1ccc(S(N)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000900289371 659098081 /nfs/dbraw/zinc/09/80/81/659098081.db2.gz OJARNJBCCVJNBA-CQSZACIVSA-N 1 0 385.555 1.664 20 0 GDADRO C[C@@H](CNC(=O)CSc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C)CC1 ZINC000900405250 659105348 /nfs/dbraw/zinc/10/53/48/659105348.db2.gz GQSNHDUTLUVYSW-AWEZNQCLSA-N 1 0 385.555 1.663 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000900485083 659113352 /nfs/dbraw/zinc/11/33/52/659113352.db2.gz TWWHUIPMKZIQBY-PVUWLOKVSA-N 1 0 383.286 1.804 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)Cn2nc(Br)c(Br)n2)C1 ZINC000900629828 659129176 /nfs/dbraw/zinc/12/91/76/659129176.db2.gz BWVLTGKAODYACU-MRVPVSSYSA-N 1 0 395.099 1.261 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)Cn1nc(Br)c(Br)n1 ZINC000900695669 659138321 /nfs/dbraw/zinc/13/83/21/659138321.db2.gz UQPFHQUMKJBFNS-SSDOTTSWSA-N 1 0 383.088 1.260 20 0 GDADRO NS(=O)(=O)c1ccc(SCC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000900793241 659145879 /nfs/dbraw/zinc/14/58/79/659145879.db2.gz LWOAMOYISFTGKL-AWEZNQCLSA-N 1 0 383.539 1.370 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000901227550 659204170 /nfs/dbraw/zinc/20/41/70/659204170.db2.gz JFJIYWDOSYVTER-UHFFFAOYSA-N 1 0 396.289 1.411 20 0 GDADRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000901608162 659223189 /nfs/dbraw/zinc/22/31/89/659223189.db2.gz VMVZXLXYXJYURY-CQSZACIVSA-N 1 0 381.249 1.960 20 0 GDADRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901730390 659231790 /nfs/dbraw/zinc/23/17/90/659231790.db2.gz WJWUSRMFANDTGT-PWSUYJOCSA-N 1 0 395.305 1.928 20 0 GDADRO C[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000902449260 659256447 /nfs/dbraw/zinc/25/64/47/659256447.db2.gz NGBPDDUZDAMRBM-SWLSCSKDSA-N 1 0 389.543 1.061 20 0 GDADRO O=c1oc2cc(Br)ccc2n1CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000902644846 659269567 /nfs/dbraw/zinc/26/95/67/659269567.db2.gz QRLHUYCJICTSNW-ZIAGYGMSSA-N 1 0 396.285 1.846 20 0 GDADRO O=c1oc2cc(Br)ccc2n1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000902644845 659269658 /nfs/dbraw/zinc/26/96/58/659269658.db2.gz QRLHUYCJICTSNW-UONOGXRCSA-N 1 0 396.285 1.846 20 0 GDADRO O=C1c2cc(Br)ccc2CN1CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000902645750 659270077 /nfs/dbraw/zinc/27/00/77/659270077.db2.gz ZQNKXBUARGNHRP-IAGOWNOFSA-N 1 0 394.313 1.893 20 0 GDADRO CC(C)C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)C1CCOCC1 ZINC000902861699 659282281 /nfs/dbraw/zinc/28/22/81/659282281.db2.gz AWPLEVOOYGWECF-MSOLQXFVSA-N 1 0 376.563 1.906 20 0 GDADRO CCS(=O)(=O)NC1CC[NH+](C[C@H](O)COc2ccc(SC)cc2)CC1 ZINC000903009071 659289623 /nfs/dbraw/zinc/28/96/23/659289623.db2.gz BYEHMIWOOKGMHC-HNNXBMFYSA-N 1 0 388.555 1.552 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000903094598 659294915 /nfs/dbraw/zinc/29/49/15/659294915.db2.gz GCYYTYFFYDIVSM-AWEZNQCLSA-N 1 0 389.547 1.386 20 0 GDADRO O=S(=O)(NCC[NH2+][C@H]1CCO[C@@]12CCOC2)c1ccc(F)cc1Cl ZINC000903165693 659298031 /nfs/dbraw/zinc/29/80/31/659298031.db2.gz NOWIQPDBTNLWFK-LSDHHAIUSA-N 1 0 378.853 1.295 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903175909 659299008 /nfs/dbraw/zinc/29/90/08/659299008.db2.gz XBUQHBGEGCQZQP-JTQLQIEISA-N 1 0 388.433 1.522 20 0 GDADRO Cn1ncc(S(=O)(=O)NC2(C[NH+]3CCCCC3)CCC2)c1Br ZINC000903194586 659300703 /nfs/dbraw/zinc/30/07/03/659300703.db2.gz FZEWCWGPCKDGRK-UHFFFAOYSA-N 1 0 391.335 1.870 20 0 GDADRO CO[C@@]1(C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CCS(=O)(=O)C1 ZINC000903363886 659313889 /nfs/dbraw/zinc/31/38/89/659313889.db2.gz SEQAPXGKJLACBX-JKIFEVAISA-N 1 0 376.519 1.568 20 0 GDADRO O=C(COc1ccc(Br)cc1)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903438470 659315333 /nfs/dbraw/zinc/31/53/33/659315333.db2.gz VXKJMZPCSRXSRT-OAHLLOKOSA-N 1 0 382.302 1.724 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000903514925 659323729 /nfs/dbraw/zinc/32/37/29/659323729.db2.gz IOOQISPGAUCDRI-DTWKUNHWSA-N 1 0 398.291 1.868 20 0 GDADRO CCC(=O)N1CCc2ccc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)cc21 ZINC000903515302 659323809 /nfs/dbraw/zinc/32/38/09/659323809.db2.gz MAZYSVQFBFGZHJ-UHFFFAOYSA-N 1 0 379.404 1.497 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(I)s1 ZINC000903518291 659325538 /nfs/dbraw/zinc/32/55/38/659325538.db2.gz YWXVLMSTSNCYEV-MRVPVSSYSA-N 1 0 386.280 1.725 20 0 GDADRO [NH3+]CC[C@@H]1CCN(S(=O)(=O)c2ccc(I)s2)C1 ZINC000903520154 659327656 /nfs/dbraw/zinc/32/76/56/659327656.db2.gz RNYLTINKDYKTTM-MRVPVSSYSA-N 1 0 386.280 1.712 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)Cc1cccc(F)c1Br)C2 ZINC000903525196 659329418 /nfs/dbraw/zinc/32/94/18/659329418.db2.gz CRTCSHHPMDSTGQ-SMDDNHRTSA-N 1 0 377.279 1.959 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c1F ZINC000903535319 659332087 /nfs/dbraw/zinc/33/20/87/659332087.db2.gz XTYHJVWPERPFFI-BDAKNGLRSA-N 1 0 381.267 1.731 20 0 GDADRO CS(=O)(=O)N(CCN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1)Cc1ccccc1 ZINC000903541407 659334250 /nfs/dbraw/zinc/33/42/50/659334250.db2.gz VNRSEUMZNKFBFM-HUUCEWRRSA-N 1 0 379.448 1.660 20 0 GDADRO Cc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)cc1Br ZINC000903541706 659334323 /nfs/dbraw/zinc/33/43/23/659334323.db2.gz BGKFGUQBMFIDCX-UHFFFAOYSA-N 1 0 377.304 1.886 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1c(Cl)nc2sccn21 ZINC000903545330 659335899 /nfs/dbraw/zinc/33/58/99/659335899.db2.gz LTHGVLFNNPYHGG-SNVBAGLBSA-N 1 0 390.918 1.486 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC000903546855 659336818 /nfs/dbraw/zinc/33/68/18/659336818.db2.gz PJPCFQGEQDRYAZ-INIZCTEOSA-N 1 0 386.539 1.762 20 0 GDADRO COc1ccc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c(Br)c1 ZINC000903548640 659337250 /nfs/dbraw/zinc/33/72/50/659337250.db2.gz NQJUMTWIUBTAKJ-GHMZBOCLSA-N 1 0 377.304 1.982 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c(Br)o1 ZINC000903548358 659337290 /nfs/dbraw/zinc/33/72/90/659337290.db2.gz GDKPMGJKEXNBEP-RKDXNWHRSA-N 1 0 395.275 1.353 20 0 GDADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CC[NH2+]CCC12CCOCC2 ZINC000903548978 659337881 /nfs/dbraw/zinc/33/78/81/659337881.db2.gz AGSPTEXZGJIMBM-UHFFFAOYSA-N 1 0 386.861 1.409 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1ccc(C(F)(F)F)s1)C2 ZINC000903552669 659338999 /nfs/dbraw/zinc/33/89/99/659338999.db2.gz SHHGKKGHQLWRDV-RWEMILLDSA-N 1 0 398.428 1.668 20 0 GDADRO COc1cc(S(=O)(=O)N[C@H]2C[NH2+]CC2(C)C)c(OC)cc1Br ZINC000903554472 659339274 /nfs/dbraw/zinc/33/92/74/659339274.db2.gz RDJNTLRZNTWOAS-ZDUSSCGKSA-N 1 0 393.303 1.743 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc2c(cc1Br)OCCO2 ZINC000903564722 659342582 /nfs/dbraw/zinc/34/25/82/659342582.db2.gz HOGXMHADZYCGEO-DVVUODLYSA-N 1 0 389.271 1.392 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000903566435 659343999 /nfs/dbraw/zinc/34/39/99/659343999.db2.gz UJDXFSFSTUOSBF-UHFFFAOYSA-N 1 0 383.461 2.000 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc(F)c1F ZINC000903570663 659344779 /nfs/dbraw/zinc/34/47/79/659344779.db2.gz WHCXLLNZAPHHCX-PSASIEDQSA-N 1 0 388.314 1.262 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903574469 659346132 /nfs/dbraw/zinc/34/61/32/659346132.db2.gz RWMMKIVZLGRFKG-XJKSGUPXSA-N 1 0 382.873 1.608 20 0 GDADRO COC(=O)c1ccccc1CS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903578040 659348965 /nfs/dbraw/zinc/34/89/65/659348965.db2.gz AVVDUHIFVLLKSJ-QWHCGFSZSA-N 1 0 380.388 1.515 20 0 GDADRO CCOC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903579143 659349820 /nfs/dbraw/zinc/34/98/20/659349820.db2.gz LWMAXKPRVHBYQB-CHWSQXEVSA-N 1 0 380.388 1.764 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000903579927 659350539 /nfs/dbraw/zinc/35/05/39/659350539.db2.gz REMKEZIOFFUTFH-IUCAKERBSA-N 1 0 380.314 1.346 20 0 GDADRO Cn1c2ccc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)cc2oc1=O ZINC000903580094 659350805 /nfs/dbraw/zinc/35/08/05/659350805.db2.gz RYTIKWWEUYIEOP-UWVGGRQHSA-N 1 0 379.360 1.032 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903580918 659351588 /nfs/dbraw/zinc/35/15/88/659351588.db2.gz ZTALNPPHSQJCQW-RKDXNWHRSA-N 1 0 386.417 1.743 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1Br ZINC000903586889 659354580 /nfs/dbraw/zinc/35/45/80/659354580.db2.gz MBLADPBCJUHKAT-ZDUSSCGKSA-N 1 0 390.303 1.765 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000903588265 659355546 /nfs/dbraw/zinc/35/55/46/659355546.db2.gz FZNDHQYWDLRJRB-IINYFYTJSA-N 1 0 377.388 1.689 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1c(C)nn2cc(Br)cnc12 ZINC000903590900 659356227 /nfs/dbraw/zinc/35/62/27/659356227.db2.gz DDRRLAOHMFVJQQ-UHFFFAOYSA-N 1 0 390.307 1.419 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1cc(Br)cnc1Cl ZINC000903592996 659357050 /nfs/dbraw/zinc/35/70/50/659357050.db2.gz UKQVLTHDXXWDLD-PELKAZGASA-N 1 0 380.695 1.999 20 0 GDADRO Cc1csc(C)c1S(=O)(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000903637104 659365666 /nfs/dbraw/zinc/36/56/66/659365666.db2.gz RREWNJONMPBSEL-AWEZNQCLSA-N 1 0 394.584 1.494 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903735551 659378470 /nfs/dbraw/zinc/37/84/70/659378470.db2.gz BMBRFPUDIGIVPT-CJNGLKHVSA-N 1 0 383.290 1.483 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C[C@@H]1[NH3+] ZINC000903763140 659379504 /nfs/dbraw/zinc/37/95/04/659379504.db2.gz NZSFQDHZMBEDOQ-KBPBESRZSA-N 1 0 395.301 1.703 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)c1cccc(Br)c1 ZINC000903791651 659380764 /nfs/dbraw/zinc/38/07/64/659380764.db2.gz IXYHIZMYHJZDEC-UONOGXRCSA-N 1 0 398.301 1.449 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NCC(=O)Nc1ccccc1Br)C2 ZINC000903848641 659384479 /nfs/dbraw/zinc/38/44/79/659384479.db2.gz SHNCTKJXCVSKAT-AVGNSLFASA-N 1 0 395.301 1.315 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1ccccc1I ZINC000903968759 659390889 /nfs/dbraw/zinc/39/08/89/659390889.db2.gz NSKRZMICABHWLR-LBPRGKRZSA-N 1 0 394.278 1.158 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CNCCS2(=O)=O)C1 ZINC000903970144 659391318 /nfs/dbraw/zinc/39/13/18/659391318.db2.gz QWWOXSBEMCEBLC-MGPQQGTHSA-N 1 0 382.473 1.110 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000903970333 659391571 /nfs/dbraw/zinc/39/15/71/659391571.db2.gz VNKVSILYLHZVQU-NSHDSACASA-N 1 0 381.723 1.969 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(CSc3ccc(F)cc3)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904081488 659394308 /nfs/dbraw/zinc/39/43/08/659394308.db2.gz ZYGCLWBUUWSSEA-BPNCWPANSA-N 1 0 383.470 1.676 20 0 GDADRO COc1cc(Cl)ccc1-c1noc(C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@@H]32)n1 ZINC000904112392 659395692 /nfs/dbraw/zinc/39/56/92/659395692.db2.gz GBQGLVCVYWUWBS-IUPBHXKESA-N 1 0 383.857 1.574 20 0 GDADRO C[C@]1(Cc2noc(C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@@H]34)n2)CC1(Cl)Cl ZINC000904123553 659396332 /nfs/dbraw/zinc/39/63/32/659396332.db2.gz OXONDNVYWXXCHN-COMAGPEQSA-N 1 0 380.297 1.371 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)cc1 ZINC000905022936 659417686 /nfs/dbraw/zinc/41/76/86/659417686.db2.gz IQSUQAVRLDVNAH-GFCCVEGCSA-N 1 0 390.374 1.812 20 0 GDADRO Cc1nc(CC[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)cs1 ZINC000905025254 659417799 /nfs/dbraw/zinc/41/77/99/659417799.db2.gz OWPCFLCHKUVQGU-CQSZACIVSA-N 1 0 375.560 1.585 20 0 GDADRO Cc1csc(CC[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)n1 ZINC000905042577 659418640 /nfs/dbraw/zinc/41/86/40/659418640.db2.gz ZLMGVKDXBQWTPL-CYBMUJFWSA-N 1 0 375.560 1.585 20 0 GDADRO O=C(NCCC[NH2+]C[C@H](O)C1(O)CCCC1)c1ccc(Br)cc1 ZINC000905091218 659422354 /nfs/dbraw/zinc/42/23/54/659422354.db2.gz YOBKGRNXXZLKGW-HNNXBMFYSA-N 1 0 385.302 1.825 20 0 GDADRO O=S(=O)(c1ccc(CC[NH2+]C[C@H](O)C2(O)CCC2)s1)N1CCCCC1 ZINC000905139539 659426638 /nfs/dbraw/zinc/42/66/38/659426638.db2.gz TZNRYTLPCGDJBG-HNNXBMFYSA-N 1 0 388.555 1.331 20 0 GDADRO COc1cc(Br)ccc1CCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905209198 659433391 /nfs/dbraw/zinc/43/33/91/659433391.db2.gz POBWYTYOYPPKOY-INIZCTEOSA-N 1 0 388.302 1.882 20 0 GDADRO COC1(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCCCC1 ZINC000905221056 659434136 /nfs/dbraw/zinc/43/41/36/659434136.db2.gz UVUDMGJYEDKGNW-HNNXBMFYSA-N 1 0 376.563 1.927 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC(C)(C)OCC2CC2)CCC1 ZINC000905285578 659440138 /nfs/dbraw/zinc/44/01/38/659440138.db2.gz IXKALBSAEPKFJV-OAHLLOKOSA-N 1 0 376.563 1.783 20 0 GDADRO COc1ccc(Br)c(CNS(=O)(=O)CC2CC[NH2+]CC2)c1 ZINC000905333443 659443634 /nfs/dbraw/zinc/44/36/34/659443634.db2.gz DZXKCYSAIOFNHR-UHFFFAOYSA-N 1 0 377.304 1.877 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000905336147 659443848 /nfs/dbraw/zinc/44/38/48/659443848.db2.gz OXQLBUVWLJFFRF-UHFFFAOYSA-N 1 0 384.889 1.852 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000905346066 659444866 /nfs/dbraw/zinc/44/48/66/659444866.db2.gz MVHJPQMHRLRHLB-GFCCVEGCSA-N 1 0 378.420 1.962 20 0 GDADRO Cn1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(I)n1 ZINC000905358069 659446600 /nfs/dbraw/zinc/44/66/00/659446600.db2.gz DGZPRXIZGUZQQG-UHFFFAOYSA-N 1 0 397.220 1.382 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)s1 ZINC000905361356 659446981 /nfs/dbraw/zinc/44/69/81/659446981.db2.gz YJXYAZKGWCXHSS-INIZCTEOSA-N 1 0 385.555 1.783 20 0 GDADRO O[C@@H](C[NH2+]CCc1ccc(I)cc1)C1(O)CCOCC1 ZINC000905381217 659450144 /nfs/dbraw/zinc/45/01/44/659450144.db2.gz MLSYNOVFVROJRC-AWEZNQCLSA-N 1 0 391.249 1.326 20 0 GDADRO O=S(=O)(CC[NH2+][C@H](CO)C[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000905460560 659455359 /nfs/dbraw/zinc/45/53/59/659455359.db2.gz MRHPMWOILSKTPA-KBPBESRZSA-N 1 0 392.315 1.742 20 0 GDADRO O[C@H](C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1)COc1ccc(Cl)cc1Br ZINC000905464219 659455491 /nfs/dbraw/zinc/45/54/91/659455491.db2.gz DDKDVQBFZLMARC-WFFHOREQSA-N 1 0 380.666 1.316 20 0 GDADRO O=S(=O)(CC[NH2+][C@@H](CO)C[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000905460561 659455498 /nfs/dbraw/zinc/45/54/98/659455498.db2.gz MRHPMWOILSKTPA-KGLIPLIRSA-N 1 0 392.315 1.742 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000905478514 659457134 /nfs/dbraw/zinc/45/71/34/659457134.db2.gz OVUPGGCOGRABEL-CYBMUJFWSA-N 1 0 377.304 1.496 20 0 GDADRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000905531615 659462507 /nfs/dbraw/zinc/46/25/07/659462507.db2.gz HVFKUMINQGKABX-GFCCVEGCSA-N 1 0 377.750 1.988 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@H](O)COc2cc(C)ccc2Cl)CCS(=O)(=O)C1 ZINC000905550724 659463814 /nfs/dbraw/zinc/46/38/14/659463814.db2.gz BTNJZFPFPGYDRZ-XJKSGUPXSA-N 1 0 377.890 1.181 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000905559153 659465402 /nfs/dbraw/zinc/46/54/02/659465402.db2.gz VXVBAUWPJWXLLA-JKSUJKDBSA-N 1 0 377.890 1.011 20 0 GDADRO O=C1C[C@H](CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CN1 ZINC000905589501 659467025 /nfs/dbraw/zinc/46/70/25/659467025.db2.gz YNDAYGREHAXLOG-GXFFZTMASA-N 1 0 375.238 1.444 20 0 GDADRO Cn1nccc1[C@H](O)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000905626830 659470614 /nfs/dbraw/zinc/47/06/14/659470614.db2.gz SEZBNFFJZORYLT-SWLSCSKDSA-N 1 0 388.237 1.385 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1COC(C)(C)C1 ZINC000905699181 659477192 /nfs/dbraw/zinc/47/71/92/659477192.db2.gz XOPXSNBLYFAGGA-AWEZNQCLSA-N 1 0 389.539 1.801 20 0 GDADRO CC(C)[NH+]1CCC(N(C)C(=O)c2cn(C)nc2I)CC1 ZINC000905773144 659481756 /nfs/dbraw/zinc/48/17/56/659481756.db2.gz BIROUMZQBZRXFK-UHFFFAOYSA-N 1 0 390.269 1.970 20 0 GDADRO CCCNC(=O)CN1CCC(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906116461 659521837 /nfs/dbraw/zinc/52/18/37/659521837.db2.gz QXARCDRYSSJAHO-NSHDSACASA-N 1 0 388.723 1.214 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC000906506993 659548827 /nfs/dbraw/zinc/54/88/27/659548827.db2.gz XLVRGMUIKIWUMG-QWRGUYRKSA-N 1 0 388.723 1.167 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)C1 ZINC000906528780 659551283 /nfs/dbraw/zinc/55/12/83/659551283.db2.gz HCUCRZUJVAAWRC-CQSZACIVSA-N 1 0 387.527 1.269 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(F)(F)c1ncccc1Br ZINC000906579593 659557282 /nfs/dbraw/zinc/55/72/82/659557282.db2.gz VIVKREIDBULYGX-UHFFFAOYSA-N 1 0 380.233 1.973 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)nc1I ZINC000906644406 659564537 /nfs/dbraw/zinc/56/45/37/659564537.db2.gz NKDMSOHWWCZXBA-SNVBAGLBSA-N 1 0 376.242 1.629 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906669304 659567499 /nfs/dbraw/zinc/56/74/99/659567499.db2.gz CRZOZVNKUOABPM-NSHDSACASA-N 1 0 381.889 1.843 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906724247 659576201 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O=C(C[C@H](O)C(Cl)(Cl)Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000907046866 659652515 /nfs/dbraw/zinc/65/25/15/659652515.db2.gz LJDOTMMDYDMSAO-AVGNSLFASA-N 1 0 387.735 1.992 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1 ZINC000907141023 659679239 /nfs/dbraw/zinc/67/92/39/659679239.db2.gz GJIDQZPOAMKLHO-GFCCVEGCSA-N 1 0 385.921 1.521 20 0 GDADRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000907142063 659679788 /nfs/dbraw/zinc/67/97/88/659679788.db2.gz KTROGOKWJCMRNY-UHFFFAOYSA-N 1 0 396.282 1.306 20 0 GDADRO COCCN(C)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000907346474 659732648 /nfs/dbraw/zinc/73/26/48/659732648.db2.gz NJGCEZFKMMZDAB-HNNXBMFYSA-N 1 0 375.560 1.633 20 0 GDADRO CCn1c(Br)ncc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000907457286 659755651 /nfs/dbraw/zinc/75/56/51/659755651.db2.gz SJWIHFOJPXUZEQ-UHFFFAOYSA-N 1 0 386.338 1.811 20 0 GDADRO O=S(=O)(Cc1cc(F)ccc1Cl)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908011541 659854082 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399.451 1.399 20 0 GDADRO COC(=O)c1cccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749267 720811566 /nfs/dbraw/zinc/81/15/66/720811566.db2.gz SSJVFZBUUWBCTB-JENIJYKNSA-N 1 0 396.495 1.839 20 0 GDADRO Cn1cnc2c1ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750456 720814642 /nfs/dbraw/zinc/81/46/42/720814642.db2.gz VULIUMVFCGIZTQ-IXDOHACOSA-N 1 0 393.499 1.334 20 0 GDADRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1OC ZINC001164739760 720827658 /nfs/dbraw/zinc/82/76/58/720827658.db2.gz IJYPOJWJJRQPRY-GVDBMIGSSA-N 1 0 399.499 1.465 20 0 GDADRO O=C1NCc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21 ZINC001164742089 720829185 /nfs/dbraw/zinc/82/91/85/720829185.db2.gz PSZWKDXZOOKWGP-RCCFBDPRSA-N 1 0 393.495 1.296 20 0 GDADRO CCOC(=O)c1ccc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc1C ZINC001164850732 720832486 /nfs/dbraw/zinc/83/24/86/720832486.db2.gz UYBVATQZHPIGOD-AEFFLSMTSA-N 1 0 377.485 1.740 20 0 GDADRO Cc1nc(N(C)C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744524 720835213 /nfs/dbraw/zinc/83/52/13/720835213.db2.gz KMIVJQPIYQFYSM-FGTMMUONSA-N 1 0 397.531 1.217 20 0 GDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(Cl)c4ccncc43)CC[C@@H]2C1 ZINC001164849235 720838715 /nfs/dbraw/zinc/83/87/15/720838715.db2.gz BMSOUKPBDMOHOZ-CJNGLKHVSA-N 1 0 377.876 1.852 20 0 GDADRO CNC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741344 720839157 /nfs/dbraw/zinc/83/91/57/720839157.db2.gz FHCWIMGAAFFNFK-GUDVDZBRSA-N 1 0 395.511 1.412 20 0 GDADRO Cc1cc(C(N)=O)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164745418 720857839 /nfs/dbraw/zinc/85/78/39/720857839.db2.gz DIEHLQWSCXDYEE-IPMKNSEASA-N 1 0 395.511 1.460 20 0 GDADRO CCOC(=O)c1cc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)ncc1C ZINC001164851534 720858868 /nfs/dbraw/zinc/85/88/68/720858868.db2.gz ANHURJAGDMVURL-AEFFLSMTSA-N 1 0 377.485 1.740 20 0 GDADRO 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UMZXVAOUKUYBLZ-SJORKVTESA-N 1 0 384.484 1.654 20 0 GDADRO COCc1nc(OC)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868098 721186972 /nfs/dbraw/zinc/18/69/72/721186972.db2.gz KLLTTYWYMGCTHU-SJORKVTESA-N 1 0 385.468 1.506 20 0 GDADRO Cc1c[nH]c2nc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)ccc12 ZINC001164868582 721268301 /nfs/dbraw/zinc/26/83/01/721268301.db2.gz DBGWJNQASHJTFQ-UHFFFAOYSA-N 1 0 385.512 1.878 20 0 GDADRO Cc1ccc2nc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)ncc2c1 ZINC001164874484 721275568 /nfs/dbraw/zinc/27/55/68/721275568.db2.gz SMLLUMYOATWLHS-UHFFFAOYSA-N 1 0 397.523 1.945 20 0 GDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc4cnccc43)CC2)C1 ZINC001164875392 721279075 /nfs/dbraw/zinc/27/90/75/721279075.db2.gz VZHCRUNETHIAGY-UHFFFAOYSA-N 1 0 383.496 1.637 20 0 GDADRO CSc1nccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890858 721383440 /nfs/dbraw/zinc/38/34/40/721383440.db2.gz OPRMZWUMPRCVNS-APWZRJJASA-N 1 0 377.558 1.964 20 0 GDADRO COC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164888616 721389145 /nfs/dbraw/zinc/38/91/45/721389145.db2.gz KMSNFUAGUGFQFI-UZLBHIALSA-N 1 0 389.500 1.029 20 0 GDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5cccnc54)C3)O2)CC1 ZINC001164888609 721389411 /nfs/dbraw/zinc/38/94/11/721389411.db2.gz KKLRZNLKDUHWEZ-UTKZUKDTSA-N 1 0 382.512 1.790 20 0 GDADRO CCOc1ccnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886519 721402900 /nfs/dbraw/zinc/40/29/00/721402900.db2.gz JJMKZYBHBDWGES-XLIONFOSSA-N 1 0 375.517 1.641 20 0 GDADRO COc1nc(C)cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889023 721411169 /nfs/dbraw/zinc/41/11/69/721411169.db2.gz QFKKVHBBNBLCTB-YLJYHZDGSA-N 1 0 375.517 1.559 20 0 GDADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccnc(N)n1)CC2 ZINC001164784853 721464249 /nfs/dbraw/zinc/46/42/49/721464249.db2.gz KNILVMXCVCULEF-KRWDZBQOSA-N 1 0 375.517 1.793 20 0 GDADRO C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)n2)CC1 ZINC001164898676 721482745 /nfs/dbraw/zinc/48/27/45/721482745.db2.gz WVAUPVIMEXXHFI-PGRDOPGGSA-N 1 0 399.539 1.203 20 0 GDADRO Cc1cc2c(ncnc2N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)s1 ZINC001164795259 721508277 /nfs/dbraw/zinc/50/82/77/721508277.db2.gz IXJUIHVMGZEJDU-UHFFFAOYSA-N 1 0 383.525 1.964 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(OC(F)F)cn2)CC3)CC1 ZINC001164798268 721515924 /nfs/dbraw/zinc/51/59/24/721515924.db2.gz RNGVXPDEEVPBFK-UHFFFAOYSA-N 1 0 379.415 1.042 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(N4CCCCC4)ncn2)CC3)CC1 ZINC001164797757 721518723 /nfs/dbraw/zinc/51/87/23/721518723.db2.gz MLPVAHBVPCMNHO-UHFFFAOYSA-N 1 0 396.543 1.431 20 0 GDADRO C[C@H]1CCc2nnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)cc2C1 ZINC001164794855 721521238 /nfs/dbraw/zinc/52/12/38/721521238.db2.gz IOXPFKKFIYTUOM-INIZCTEOSA-N 1 0 381.528 1.566 20 0 GDADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3c(cn2)NC(=O)C3)[C@@H]2CCCO[C@H]12 ZINC001164807766 721534710 /nfs/dbraw/zinc/53/47/10/721534710.db2.gz REAYFOAGOYLAQJ-OPYAIIAOSA-N 1 0 379.464 1.839 20 0 GDADRO COC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1N ZINC001164799894 721543153 /nfs/dbraw/zinc/54/31/53/721543153.db2.gz BRECWYDIJFTJOH-HBFSDRIKSA-N 1 0 397.479 1.714 20 0 GDADRO CCNC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164907530 721558935 /nfs/dbraw/zinc/55/89/35/721558935.db2.gz OBGMGBJZMGTLTD-RDJZCZTQSA-N 1 0 385.443 1.707 20 0 GDADRO Cc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1C1C[NH2+]C1 ZINC001164801166 721592040 /nfs/dbraw/zinc/59/20/40/721592040.db2.gz DVANARDHSFSBSB-DYXWJJEUSA-N 1 0 394.523 1.735 20 0 GDADRO COc1cnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1NC(C)C ZINC001165008813 721729136 /nfs/dbraw/zinc/72/91/36/721729136.db2.gz RMFKXMOICKAPRQ-UHFFFAOYSA-N 1 0 390.532 1.829 20 0 GDADRO COC(=O)c1cc(F)c(C)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011590 721737269 /nfs/dbraw/zinc/73/72/69/721737269.db2.gz RXKXYGOLHHZKLI-UHFFFAOYSA-N 1 0 392.475 1.839 20 0 GDADRO CCOC(=O)Cc1ccc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1 ZINC001165010642 721738691 /nfs/dbraw/zinc/73/86/91/721738691.db2.gz IHUACMWKUHHCOD-UHFFFAOYSA-N 1 0 388.512 1.710 20 0 GDADRO CON(C)C(=O)c1cc(Cl)nc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001164921914 721865577 /nfs/dbraw/zinc/86/55/77/721865577.db2.gz DRRRYEOTQXWQLC-LSDHHAIUSA-N 1 0 381.908 1.583 20 0 GDADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C1=O ZINC001164926197 721875737 /nfs/dbraw/zinc/87/57/37/721875737.db2.gz QSOWNCOHMYQQJM-LSDHHAIUSA-N 1 0 392.935 1.709 20 0 GDADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC001164931916 721878824 /nfs/dbraw/zinc/87/88/24/721878824.db2.gz GSNUWNJTEMEDBX-MSOLQXFVSA-N 1 0 393.557 1.081 20 0 GDADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc2[nH]cnc2c(Cl)n1 ZINC001164932321 721880432 /nfs/dbraw/zinc/88/04/32/721880432.db2.gz IQCRQKUKAGLGRH-WDEREUQCSA-N 1 0 385.850 1.717 20 0 GDADRO COc1cc(C(F)(F)N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)nc(Cl)n1 ZINC001164932313 721889699 /nfs/dbraw/zinc/88/96/99/721889699.db2.gz 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Cc1cnc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c(C[NH3+])c1 ZINC001165006160 722267006 /nfs/dbraw/zinc/26/70/06/722267006.db2.gz HIRKSCRLSJFPBL-OAQYLSRUSA-N 1 0 383.471 1.915 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000738152162 945251917 /nfs/dbraw/zinc/25/19/17/945251917.db2.gz PQTBPNIOSQJXPH-LSDHHAIUSA-N 1 0 391.863 1.583 20 0 GDADRO C[NH+](C)Cc1cccc(C(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000736771454 944888540 /nfs/dbraw/zinc/88/85/40/944888540.db2.gz MGWVPFZTVMXYCV-UHFFFAOYSA-N 1 0 392.467 1.286 20 0 GDADRO COCC[NH+]1CCC(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737005988 944931538 /nfs/dbraw/zinc/93/15/38/944931538.db2.gz DRYAZWFEZLSNDJ-UHFFFAOYSA-N 1 0 376.486 1.186 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl)[NH+]1CCCC1 ZINC000820259737 945399670 /nfs/dbraw/zinc/39/96/70/945399670.db2.gz BSJUCNGHHLAGCY-JTQLQIEISA-N 1 0 377.836 1.059 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571264279 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QQMFRPTUPMWIPD-GOEBONIOSA-N 1 0 386.504 1.703 20 0 GDADRO CCn1cnc(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571272514 945664202 /nfs/dbraw/zinc/66/42/02/945664202.db2.gz VGENUPPMWYLNPM-UHFFFAOYSA-N 1 0 386.485 1.537 20 0 GDADRO Cc1ncc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1C ZINC001571272522 945665557 /nfs/dbraw/zinc/66/55/57/945665557.db2.gz VMDRKXGVTVEVKK-GFCCVEGCSA-N 1 0 386.485 1.365 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCCN1C(=O)CC(C)(C)O ZINC001571272573 945665951 /nfs/dbraw/zinc/66/59/51/945665951.db2.gz XAUSSSWOTWHNSE-YOEHRIQHSA-N 1 0 386.500 1.887 20 0 GDADRO CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001571272660 945667726 /nfs/dbraw/zinc/66/77/26/945667726.db2.gz YDULIKDCPDOWRT-ZDUSSCGKSA-N 1 0 386.485 1.491 20 0 GDADRO O=C(Cn1cc(Cl)cn1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571275617 945710778 /nfs/dbraw/zinc/71/07/78/945710778.db2.gz YVUDZUYZRGCNPI-OAHLLOKOSA-N 1 0 386.847 1.107 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC001571275640 945711458 /nfs/dbraw/zinc/71/14/58/945711458.db2.gz ZUZHHYRBYWLAFM-ZUZCIYMTSA-N 1 0 387.394 1.723 20 0 GDADRO CN(C)C1(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)Cc2ccccc2C1 ZINC000821581042 945723893 /nfs/dbraw/zinc/72/38/93/945723893.db2.gz BEIAORWBCUTOLT-UHFFFAOYSA-N 1 0 388.479 1.703 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc(NC=O)cc1 ZINC000821586040 945725528 /nfs/dbraw/zinc/72/55/28/945725528.db2.gz GPJAWLJEXGCGKE-UHFFFAOYSA-N 1 0 393.451 1.639 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001571276244 945726954 /nfs/dbraw/zinc/72/69/54/945726954.db2.gz FZLINPZQGXIJFF-NSHDSACASA-N 1 0 387.394 1.725 20 0 GDADRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821630036 945757707 /nfs/dbraw/zinc/75/77/07/945757707.db2.gz JVXTYAVQBUAERP-VHSXEESVSA-N 1 0 391.501 1.058 20 0 GDADRO Cc1nc(C)c(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)o1 ZINC001571281146 945798411 /nfs/dbraw/zinc/79/84/11/945798411.db2.gz DBEQXJRVVWMXKT-GFCCVEGCSA-N 1 0 387.469 1.927 20 0 GDADRO CCc1nc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571281979 945821814 /nfs/dbraw/zinc/82/18/14/945821814.db2.gz QMEIDROCGUIYSL-QGZVFWFLSA-N 1 0 387.469 1.873 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001571281999 945823011 /nfs/dbraw/zinc/82/30/11/945823011.db2.gz QWKHPDVWRCJRPJ-UKRRQHHQSA-N 1 0 387.488 1.309 20 0 GDADRO Cc1ncc(CC(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)o1 ZINC001571282199 945833509 /nfs/dbraw/zinc/83/35/09/945833509.db2.gz UFGGIGHMPHIHNI-YGRLFVJLSA-N 1 0 387.469 1.404 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282514 945844958 /nfs/dbraw/zinc/84/49/58/945844958.db2.gz JHXSOXFQWCGVCI-DOTOQJQBSA-N 1 0 387.463 1.181 20 0 GDADRO O=C(Cc1ccc(F)cn1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571282905 945866605 /nfs/dbraw/zinc/86/66/05/945866605.db2.gz VHZTZGDAUYVWDT-BETUJISGSA-N 1 0 387.444 1.442 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571283134 945877991 /nfs/dbraw/zinc/87/79/91/945877991.db2.gz ZXKMQWOBJFLLPC-CZUORRHYSA-N 1 0 387.463 1.575 20 0 GDADRO COc1cccc(N2C[C@@H]([NH2+]C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2=O)c1 ZINC000821871780 945889802 /nfs/dbraw/zinc/88/98/02/945889802.db2.gz DODAYQRAPBDGOJ-YJBOKZPZSA-N 1 0 394.435 1.304 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cnns1 ZINC001571286370 945944201 /nfs/dbraw/zinc/94/42/01/945944201.db2.gz FXXBSCCHLLOGOC-ZANVPECISA-N 1 0 388.432 1.250 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cnns1 ZINC001571286368 945945735 /nfs/dbraw/zinc/94/57/35/945945735.db2.gz FXXBSCCHLLOGOC-RNCFNFMXSA-N 1 0 388.432 1.250 20 0 GDADRO CC1(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001571287413 945973478 /nfs/dbraw/zinc/97/34/78/945973478.db2.gz DEMBVINENKICNE-HNNXBMFYSA-N 1 0 388.447 1.513 20 0 GDADRO CCO[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287868 945980713 /nfs/dbraw/zinc/98/07/13/945980713.db2.gz JYZBPVLCWYDKAK-HPZZRFSDSA-N 1 0 388.447 1.415 20 0 GDADRO O=C(C[C@H]1CCCO1)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571288091 945983874 /nfs/dbraw/zinc/98/38/74/945983874.db2.gz LZXZRKGLHCDTDX-HZPDHXFCSA-N 1 0 388.447 1.656 20 0 GDADRO CN(C(=O)C[C@@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288922 945995919 /nfs/dbraw/zinc/99/59/19/945995919.db2.gz UNCNMCCMQRYSMD-GJZGRUSLSA-N 1 0 388.447 1.465 20 0 GDADRO O=C([C@@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571289231 945997731 /nfs/dbraw/zinc/99/77/31/945997731.db2.gz XSCAMOOVQWQRHT-ZIAGYGMSSA-N 1 0 388.447 1.371 20 0 GDADRO O=C(C[C@H]1CCCOC1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571289193 945998626 /nfs/dbraw/zinc/99/86/26/945998626.db2.gz WYYLXRBVUCDAOB-CABCVRRESA-N 1 0 388.447 1.513 20 0 GDADRO O=C([C@H]1CCCOC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571289178 945999102 /nfs/dbraw/zinc/99/91/02/945999102.db2.gz WKDAVWKTGMVCCP-JKSUJKDBSA-N 1 0 388.447 1.513 20 0 GDADRO C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001571289321 946001999 /nfs/dbraw/zinc/00/19/99/946001999.db2.gz ZPSKDCMDIIKAPX-DYVFJYSZSA-N 1 0 388.447 1.465 20 0 GDADRO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H](C)OC)C2)cc1-c1nn[nH]n1 ZINC001571289638 946011856 /nfs/dbraw/zinc/01/18/56/946011856.db2.gz JFEBPHQXVVDURW-ZFWWWQNUSA-N 1 0 388.472 1.191 20 0 GDADRO CC[C@H](OC)C(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC001571289661 946014072 /nfs/dbraw/zinc/01/40/72/946014072.db2.gz JOQZAMWXDHKXQO-HOTGVXAUSA-N 1 0 388.472 1.381 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571290002 946026019 /nfs/dbraw/zinc/02/60/19/946026019.db2.gz SAVYTSISQPKGOM-FIRUKDTASA-N 1 0 388.497 1.480 20 0 GDADRO O=C([C@H]1CCCO1)N1CCC2(C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001571290079 946028183 /nfs/dbraw/zinc/02/81/83/946028183.db2.gz USGFRVZYMWMWMC-CQSZACIVSA-N 1 0 388.497 1.532 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H](C)OC)CC2(C)C)cc1-c1nn[nH]n1 ZINC001571290190 946032764 /nfs/dbraw/zinc/03/27/64/946032764.db2.gz XIFDRAGTEWJUCV-WBMJQRKESA-N 1 0 388.472 1.237 20 0 GDADRO C[NH+](C)C1(C(=O)N2CC[C@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)CCC1 ZINC001571290216 946034473 /nfs/dbraw/zinc/03/44/73/946034473.db2.gz XUVAUAZPXMHZDE-GFCCVEGCSA-N 1 0 388.451 1.146 20 0 GDADRO Cc1cc(N2CCN(C(=O)c3cnn(C(F)F)c3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571291085 946065945 /nfs/dbraw/zinc/06/59/45/946065945.db2.gz ARTOIQQZUAGLJW-UHFFFAOYSA-N 1 0 389.370 1.124 20 0 GDADRO Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000822362405 946072123 /nfs/dbraw/zinc/07/21/23/946072123.db2.gz RQGAKUDOBJIOIL-UHFFFAOYSA-N 1 0 392.467 1.721 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000822535343 946118392 /nfs/dbraw/zinc/11/83/92/946118392.db2.gz NXTYPHRWIAFGLF-AAEUAGOBSA-N 1 0 381.440 1.914 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)C3(F)CCOCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571293915 946121407 /nfs/dbraw/zinc/12/14/07/946121407.db2.gz VUKASKFAWHJUDK-CYBMUJFWSA-N 1 0 389.435 1.174 20 0 GDADRO O=C(NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCc2cccnc21 ZINC001571294548 946138031 /nfs/dbraw/zinc/13/80/31/946138031.db2.gz IRQXRCQIXSRAKW-SFHVURJKSA-N 1 0 389.463 1.540 20 0 GDADRO CC(=O)N[C@H](C)C(=O)NCC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573484109 946215661 /nfs/dbraw/zinc/21/56/61/946215661.db2.gz KIYSQZSPPYJPSR-CXAGYDPISA-N 1 0 387.488 1.012 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)c1csnn1 ZINC001571299013 946235831 /nfs/dbraw/zinc/23/58/31/946235831.db2.gz GUDLSJNYYRUQLY-UHFFFAOYSA-N 1 0 390.498 1.611 20 0 GDADRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)c1csnn1 ZINC001571299012 946236309 /nfs/dbraw/zinc/23/63/09/946236309.db2.gz GUDLSJNYYRUQLY-MGCOHNPYSA-N 1 0 390.498 1.611 20 0 GDADRO Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571299278 946245571 /nfs/dbraw/zinc/24/55/71/946245571.db2.gz KDXQVCSMTIROHM-STQMWFEESA-N 1 0 390.517 1.376 20 0 GDADRO O=C(C[C@@H]1CCCCO1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299745 946261116 /nfs/dbraw/zinc/26/11/16/946261116.db2.gz PDTJBOZFRCYEML-KGLIPLIRSA-N 1 0 390.513 1.826 20 0 GDADRO Cc1cccc(-c2nn[nH]n2)c1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001571300139 946272801 /nfs/dbraw/zinc/27/28/01/946272801.db2.gz VSUBJRNQLKIZGZ-AWEZNQCLSA-N 1 0 390.513 1.860 20 0 GDADRO C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571301989 946289104 /nfs/dbraw/zinc/28/91/04/946289104.db2.gz KPSDBQQOVVAVKI-DGCLKSJQSA-N 1 0 391.426 1.625 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3cccc4c3OCC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571303183 946328528 /nfs/dbraw/zinc/32/85/28/946328528.db2.gz JGXPZVBBATYRMW-CQSZACIVSA-N 1 0 391.435 1.254 20 0 GDADRO O=C(c1cnccn1)N1CCC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571303756 946346944 /nfs/dbraw/zinc/34/69/44/946346944.db2.gz XFVOOJDEJHAATE-IBGZPJMESA-N 1 0 391.439 1.184 20 0 GDADRO Cc1ccncc1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571306011 946384413 /nfs/dbraw/zinc/38/44/13/946384413.db2.gz GMPLRAYZFCBDDH-LJQANCHMSA-N 1 0 391.479 1.893 20 0 GDADRO Cn1ccc(C(=O)N2CCC[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)c1 ZINC001571306126 946388019 /nfs/dbraw/zinc/38/80/19/946388019.db2.gz PUEPQCWGAHGPLQ-PKOBYXMFSA-N 1 0 391.479 1.942 20 0 GDADRO O=C(Cc1cccnc1)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571306230 946391285 /nfs/dbraw/zinc/39/12/85/946391285.db2.gz QXLTVRJLWXQWLM-GOSISDBHSA-N 1 0 391.479 1.833 20 0 GDADRO Cc1cncc(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)c1 ZINC001571306670 946407531 /nfs/dbraw/zinc/40/75/31/946407531.db2.gz MZEXOBNEPYNKOV-KXBFYZLASA-N 1 0 391.479 1.892 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@]2(NC(=O)C(F)F)CCC[C@@H]12 ZINC001571307919 946428762 /nfs/dbraw/zinc/42/87/62/946428762.db2.gz JYKYODUNGDENGT-RDTXWAMCSA-N 1 0 392.410 1.754 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCCN1C(=O)c1ncccn1 ZINC001571310314 946469566 /nfs/dbraw/zinc/46/95/66/946469566.db2.gz BIIHBEOPVCOYLF-RHSMWYFYSA-N 1 0 392.467 1.830 20 0 GDADRO CCc1n[nH]cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001571313545 946525666 /nfs/dbraw/zinc/52/56/66/946525666.db2.gz RJMMPCRZDZWOMM-IYBDPMFKSA-N 1 0 392.467 1.356 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)CCc1cnccn1 ZINC001571313798 946533012 /nfs/dbraw/zinc/53/30/12/946533012.db2.gz WLVBTKFRYYMNSI-KDOFPFPSSA-N 1 0 392.467 1.369 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@H]([C@H](C)Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nc1C ZINC001571315585 946556275 /nfs/dbraw/zinc/55/62/75/946556275.db2.gz LXBBENBOCXUKRS-GJZGRUSLSA-N 1 0 392.467 1.658 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)[nH]n1 ZINC001571315785 946557371 /nfs/dbraw/zinc/55/73/71/946557371.db2.gz OBFAQKUTHYJRIX-ROUUACIJSA-N 1 0 392.467 1.777 20 0 GDADRO Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H]2C1 ZINC001571315838 946560989 /nfs/dbraw/zinc/56/09/89/946560989.db2.gz PDSQMKCWBCAXOA-RRQGHBQHSA-N 1 0 392.467 1.673 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C23CCC3)n1 ZINC001571316156 946566644 /nfs/dbraw/zinc/56/66/44/946566644.db2.gz VCLLJLBWYFQXHH-CVEARBPZSA-N 1 0 392.467 1.729 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)Cc3ccncc3C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316273 946571024 /nfs/dbraw/zinc/57/10/24/946571024.db2.gz YEQBGFBTZPNLIC-PBHICJAKSA-N 1 0 392.467 1.339 20 0 GDADRO Cc1nnccc1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571316473 946575849 /nfs/dbraw/zinc/57/58/49/946575849.db2.gz DDVDGZWLCGMYNX-KRWDZBQOSA-N 1 0 392.467 1.750 20 0 GDADRO Cc1ccnc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)n1 ZINC001571316563 946581915 /nfs/dbraw/zinc/58/19/15/946581915.db2.gz GNSAIRSHMIFJIJ-INIZCTEOSA-N 1 0 392.467 1.750 20 0 GDADRO Cc1cncc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2c[nH]c(-c4nn[nH]n4)c2)C3)c1 ZINC001571316861 946589978 /nfs/dbraw/zinc/58/99/78/946589978.db2.gz ONGSTJVHTYWEFO-JQFCIGGWSA-N 1 0 392.467 1.681 20 0 GDADRO Cn1nccc1C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC001571316831 946590101 /nfs/dbraw/zinc/59/01/01/946590101.db2.gz NRYGVZMLGHVUBW-UHFFFAOYSA-N 1 0 392.467 1.338 20 0 GDADRO Cc1ncccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571316914 946591979 /nfs/dbraw/zinc/59/19/79/946591979.db2.gz PYVFCQCSIAXUDG-CVEARBPZSA-N 1 0 392.467 1.777 20 0 GDADRO Cc1ccnc(C(=O)N2CCC([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC001571316986 946595122 /nfs/dbraw/zinc/59/51/22/946595122.db2.gz RHKKNNVYWSMOQT-UHFFFAOYSA-N 1 0 392.467 1.702 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@H]1CCn2ccnc2C1 ZINC001571317152 946602312 /nfs/dbraw/zinc/60/23/12/946602312.db2.gz WREMTJZSCFGCLI-HOCLYGCPSA-N 1 0 392.467 1.016 20 0 GDADRO Cn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)c1C1CC1 ZINC001571317124 946602454 /nfs/dbraw/zinc/60/24/54/946602454.db2.gz VVDVXRQWDHILMS-HNNXBMFYSA-N 1 0 392.467 1.482 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCc2nccn2C1 ZINC001571317246 946604834 /nfs/dbraw/zinc/60/48/34/946604834.db2.gz YVHPFUDKHXTWNX-IRXDYDNUSA-N 1 0 392.467 1.016 20 0 GDADRO O=C(c1cc[nH]n1)N1CCC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC001571317422 946609413 /nfs/dbraw/zinc/60/94/13/946609413.db2.gz HGFHMCXQRAOTPX-AEFFLSMTSA-N 1 0 392.467 1.717 20 0 GDADRO O=C(c1cn[nH]c1)N1CCC2(C1)CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571317384 946609600 /nfs/dbraw/zinc/60/96/00/946609600.db2.gz FTWWSCIXIHLQOV-UHFFFAOYSA-N 1 0 392.467 1.718 20 0 GDADRO CO[C@@H]1CCOC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC001571317601 946616840 /nfs/dbraw/zinc/61/68/40/946616840.db2.gz ODIULKCWUGGXOL-VXGBXAGGSA-N 1 0 392.485 1.139 20 0 GDADRO CC[C@@H](C(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571317823 946621675 /nfs/dbraw/zinc/62/16/75/946621675.db2.gz WIPVNKMLCJTVED-YVEFUNNKSA-N 1 0 392.533 1.622 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)ccc1-c1nn[nH]n1 ZINC001571317846 946623183 /nfs/dbraw/zinc/62/31/83/946623183.db2.gz XFDBGNAWPJRGLB-KRWDZBQOSA-N 1 0 392.529 1.964 20 0 GDADRO CC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1cc(-c3nn[nH]n3)ccc1F)CC2 ZINC001573529743 946679240 /nfs/dbraw/zinc/67/92/40/946679240.db2.gz HGOHBSIIJVTTSR-MRXNPFEDSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[S@](C)=O ZINC000824400861 946683432 /nfs/dbraw/zinc/68/34/32/946683432.db2.gz LVCHFNZYEJEZOC-RXBISOJRSA-N 1 0 376.530 1.578 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000824414327 946699809 /nfs/dbraw/zinc/69/98/09/946699809.db2.gz ZJTQJSXSLVSTPD-AWEZNQCLSA-N 1 0 386.481 1.666 20 0 GDADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553949 946797569 /nfs/dbraw/zinc/79/75/69/946797569.db2.gz KWSFHWUAFXZGFX-LBPRGKRZSA-N 1 0 376.486 1.474 20 0 GDADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000824728696 946913854 /nfs/dbraw/zinc/91/38/54/946913854.db2.gz GQFQIRNSFOXYNF-WMLDXEAASA-N 1 0 384.484 1.824 20 0 GDADRO C[C@H]1COCCN1CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825006815 947040353 /nfs/dbraw/zinc/04/03/53/947040353.db2.gz QACVJXYTAZJKIV-AWEZNQCLSA-N 1 0 382.472 1.078 20 0 GDADRO CCC[N@H+](CC(=O)N(C)C)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825308007 947148781 /nfs/dbraw/zinc/14/87/81/947148781.db2.gz SVBZNBRQMFTQLV-UHFFFAOYSA-N 1 0 382.472 1.567 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[nH]n1)c1ccccc1 ZINC000825406108 947176618 /nfs/dbraw/zinc/17/66/18/947176618.db2.gz JUTJNQKLQSQUAC-INIZCTEOSA-N 1 0 383.456 1.905 20 0 GDADRO CCc1cnccc1[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825740354 947310325 /nfs/dbraw/zinc/31/03/25/947310325.db2.gz STKDNHYAHHNRME-CYBMUJFWSA-N 1 0 386.481 1.949 20 0 GDADRO CCc1nc(CC[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)no1 ZINC000825746067 947317095 /nfs/dbraw/zinc/31/70/95/947317095.db2.gz RFMCPCQXWNEWSW-UHFFFAOYSA-N 1 0 382.472 1.609 20 0 GDADRO CN(C)c1nccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000825888843 947358015 /nfs/dbraw/zinc/35/80/15/947358015.db2.gz WLRZJPMJPKSJBN-UHFFFAOYSA-N 1 0 379.472 1.435 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C1CCC1 ZINC001573594111 947386596 /nfs/dbraw/zinc/38/65/96/947386596.db2.gz XJZLXANWCPZBIE-KSSFIOAISA-N 1 0 386.500 1.554 20 0 GDADRO C[NH+]1CCC(CCO)(NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826022415 947406137 /nfs/dbraw/zinc/40/61/37/947406137.db2.gz MOIWQPVJCSSIIL-UHFFFAOYSA-N 1 0 390.513 1.063 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826134315 947449506 /nfs/dbraw/zinc/44/95/06/947449506.db2.gz UYJIXNWLDYCTLW-ALKREAHSSA-N 1 0 389.456 1.318 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCCO1 ZINC001573603011 947477390 /nfs/dbraw/zinc/47/73/90/947477390.db2.gz IUYWXTHTCRVXSV-DYVFJYSZSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H](C(=O)N1CC2(C1)CC[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2)n1cccc1 ZINC001573613556 947564808 /nfs/dbraw/zinc/56/48/08/947564808.db2.gz CLBMYDRPOYKGJN-INIZCTEOSA-N 1 0 391.479 1.964 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573614151 947578275 /nfs/dbraw/zinc/57/82/75/947578275.db2.gz CJDTUUSVVSLDKR-YJYMSZOUSA-N 1 0 381.440 1.731 20 0 GDADRO C[C@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2)n1cccn1 ZINC001573614637 947588208 /nfs/dbraw/zinc/58/82/08/947588208.db2.gz NSWUBXCPACRFPG-OAHLLOKOSA-N 1 0 392.467 1.359 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC001573354690 947637100 /nfs/dbraw/zinc/63/71/00/947637100.db2.gz HAOCEMLUKQEZRC-CQSZACIVSA-N 1 0 384.465 1.452 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573618415 947650066 /nfs/dbraw/zinc/65/00/66/947650066.db2.gz SAABLXFCQHBJIF-KBPBESRZSA-N 1 0 381.444 1.004 20 0 GDADRO CS[C@H]1CN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C[C@H]1[NH+](C)C ZINC000826227825 947670228 /nfs/dbraw/zinc/67/02/28/947670228.db2.gz YIVCHVQAZMCICO-KGLIPLIRSA-N 1 0 386.485 1.394 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(F)(F)F ZINC001573619831 947672732 /nfs/dbraw/zinc/67/27/32/947672732.db2.gz YESJIURAGXRJDM-MWLCHTKSSA-N 1 0 386.353 1.895 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573623588 947688615 /nfs/dbraw/zinc/68/86/15/947688615.db2.gz GSCGLVJAIXKBOS-KBXCAEBGSA-N 1 0 377.452 1.756 20 0 GDADRO C=Cc1ccc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)cc1 ZINC001573359718 947689120 /nfs/dbraw/zinc/68/91/20/947689120.db2.gz ZGTZMKJARNJMJD-AEFFLSMTSA-N 1 0 391.435 1.193 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccc(F)c1 ZINC001573624839 947697210 /nfs/dbraw/zinc/69/72/10/947697210.db2.gz MSKPAGZLJQAAMI-SWLSCSKDSA-N 1 0 381.415 1.639 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([C@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573367948 947765163 /nfs/dbraw/zinc/76/51/63/947765163.db2.gz JPDRNNNUZRFVKD-GJZGRUSLSA-N 1 0 385.472 1.400 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@H]1C ZINC001573373310 947791021 /nfs/dbraw/zinc/79/10/21/947791021.db2.gz HOOPYMQDOUNEJC-CXAGYDPISA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573373434 947793314 /nfs/dbraw/zinc/79/33/14/947793314.db2.gz IYOSEGNBPLARIQ-MRXNPFEDSA-N 1 0 384.484 1.954 20 0 GDADRO C[C@@H](C(=O)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(C)C ZINC001573637420 947812804 /nfs/dbraw/zinc/81/28/04/947812804.db2.gz CGLPXXNJVQNCMZ-KBPBESRZSA-N 1 0 387.488 1.395 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573375123 947816453 /nfs/dbraw/zinc/81/64/53/947816453.db2.gz RBRUBFBRNNYKKR-MRXNPFEDSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573376280 947833895 /nfs/dbraw/zinc/83/38/95/947833895.db2.gz XIZVFHUTHDRQJL-MRXNPFEDSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N[C@](C)(CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001573377371 947848133 /nfs/dbraw/zinc/84/81/33/947848133.db2.gz LGCZOUZCTOSDFI-LJQANCHMSA-N 1 0 385.472 1.448 20 0 GDADRO CC(=O)CCCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573380548 947861034 /nfs/dbraw/zinc/86/10/34/947861034.db2.gz FEYLEIGKUQOOIP-UHFFFAOYSA-N 1 0 388.447 1.750 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1CC1 ZINC001573644049 947867910 /nfs/dbraw/zinc/86/79/10/947867910.db2.gz XQGRWHDFSIKYQI-WBMJQRKESA-N 1 0 388.447 1.369 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@]2(C)C1)n1cccc1 ZINC001573650659 947910910 /nfs/dbraw/zinc/91/09/10/947910910.db2.gz CQKANEMGBQCVBZ-SXGZJXTBSA-N 1 0 392.467 1.609 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cccc1 ZINC001573652195 947930969 /nfs/dbraw/zinc/93/09/69/947930969.db2.gz WFQYEPVUSBMQDP-SZVBFZGTSA-N 1 0 391.479 1.962 20 0 GDADRO C[C@@H](C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573656353 947988096 /nfs/dbraw/zinc/98/80/96/947988096.db2.gz DYZDPFAOGJYDEF-CZUORRHYSA-N 1 0 385.472 1.552 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573666005 948079539 /nfs/dbraw/zinc/07/95/39/948079539.db2.gz OMMJBVUHXLUOEO-ZBFHGGJFSA-N 1 0 380.456 1.405 20 0 GDADRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCOc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826359591 948116163 /nfs/dbraw/zinc/11/61/63/948116163.db2.gz LMOJYERGLPRXDR-AEFFLSMTSA-N 1 0 383.456 1.567 20 0 GDADRO Cn1cc([C@H]2CC[N@@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cn1 ZINC000826360026 948118571 /nfs/dbraw/zinc/11/85/71/948118571.db2.gz VRXGMVNMZFTWEY-MAUKXSAKSA-N 1 0 392.467 1.585 20 0 GDADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)[C@@H]1CCCO1 ZINC001573676190 948124534 /nfs/dbraw/zinc/12/45/34/948124534.db2.gz SJUKYBUKTHSUAE-WFASDCNBSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573676733 948129209 /nfs/dbraw/zinc/12/92/09/948129209.db2.gz UWTHZHXQNJQQSW-CJNGLKHVSA-N 1 0 380.456 1.094 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573680375 948178185 /nfs/dbraw/zinc/17/81/85/948178185.db2.gz NMCUTSAQFQSTPA-SMDDNHRTSA-N 1 0 376.436 1.009 20 0 GDADRO NC(=O)c1cccc(C[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826394075 948203173 /nfs/dbraw/zinc/20/31/73/948203173.db2.gz WAOMOFUKJDBLHZ-UHFFFAOYSA-N 1 0 391.479 1.720 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC001573691074 948234108 /nfs/dbraw/zinc/23/41/08/948234108.db2.gz HIIOCDBLDLBGOH-WCQYABFASA-N 1 0 378.502 1.321 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826432202 948285862 /nfs/dbraw/zinc/28/58/62/948285862.db2.gz UTUNSXNHECIHLH-KURKYZTESA-N 1 0 397.483 1.576 20 0 GDADRO C[C@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573704792 948382988 /nfs/dbraw/zinc/38/29/88/948382988.db2.gz AOCWPVAZWHMXDI-LLVKDONJSA-N 1 0 379.415 1.673 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476730 948383913 /nfs/dbraw/zinc/38/39/13/948383913.db2.gz NKQMHIFIUQJRIE-YJBOKZPZSA-N 1 0 392.467 1.965 20 0 GDADRO C[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573706386 948419369 /nfs/dbraw/zinc/41/93/69/948419369.db2.gz IYBNQOVNCLHDTD-RDFMZFSFSA-N 1 0 380.456 1.166 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+]CCCO[C@H]2CCOC2)CC1 ZINC000826514103 948438450 /nfs/dbraw/zinc/43/84/50/948438450.db2.gz HNZQLTCBIVPDJB-IBGZPJMESA-N 1 0 386.500 1.616 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+]CCOC[C@@H]2CCCO2)CC1 ZINC000826514166 948439456 /nfs/dbraw/zinc/43/94/56/948439456.db2.gz JGWLENSPQUXAFV-IBGZPJMESA-N 1 0 386.500 1.616 20 0 GDADRO C[C@@H](C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573714110 948469394 /nfs/dbraw/zinc/46/93/94/948469394.db2.gz DRSGQILCQKVZET-HUUCEWRRSA-N 1 0 392.467 1.793 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001135842140 948472574 /nfs/dbraw/zinc/47/25/74/948472574.db2.gz FGLCSWQUUPEKCU-FQEVSTJZSA-N 1 0 378.436 1.832 20 0 GDADRO C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Nc1nccnc1-c1nn[nH]n1 ZINC001573717449 948508177 /nfs/dbraw/zinc/50/81/77/948508177.db2.gz MTXZQDGBVCXPEQ-KBPBESRZSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573725536 948544174 /nfs/dbraw/zinc/54/41/74/948544174.db2.gz AKJDWPJJPHPBPQ-OUAUKWLOSA-N 1 0 383.378 1.579 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccc(F)cc1F ZINC001573731572 948593157 /nfs/dbraw/zinc/59/31/57/948593157.db2.gz GYKXGOSAAJUXDO-WDEREUQCSA-N 1 0 387.394 1.682 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H](C)c1cccnc1 ZINC001573732553 948604181 /nfs/dbraw/zinc/60/41/81/948604181.db2.gz RATRIGGCRCFVQX-STQMWFEESA-N 1 0 383.431 1.799 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1)C(F)(F)F ZINC001573736090 948612118 /nfs/dbraw/zinc/61/21/18/948612118.db2.gz HRYJZKNOGKPHPQ-OASPWFOLSA-N 1 0 383.378 1.721 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573740433 948634285 /nfs/dbraw/zinc/63/42/85/948634285.db2.gz OYSODIBVSYOTBI-NEPJUHHUSA-N 1 0 386.435 1.137 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C1CCCC1 ZINC001573740662 948639172 /nfs/dbraw/zinc/63/91/72/948639172.db2.gz MGNPNQNCZRJIRX-XWIAVFTESA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C)n1cccn1 ZINC001573741460 948654718 /nfs/dbraw/zinc/65/47/18/948654718.db2.gz XLLUWBDYNRPKBR-CKEIUWERSA-N 1 0 380.456 1.261 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccc(F)c1 ZINC001573745139 948668804 /nfs/dbraw/zinc/66/88/04/948668804.db2.gz AYUMAMRVLYQREV-DFBGVHRSSA-N 1 0 381.415 1.686 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@H]1CCCO1 ZINC001573745188 948670016 /nfs/dbraw/zinc/67/00/16/948670016.db2.gz BKDNKBDZIHMELL-FIUQPQMISA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573746859 948685198 /nfs/dbraw/zinc/68/51/98/948685198.db2.gz LZKMFIUKHUFKCZ-JLZZUVOBSA-N 1 0 380.456 1.141 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C)c1cnn(C)c1 ZINC001573746929 948688330 /nfs/dbraw/zinc/68/83/30/948688330.db2.gz RHLNNNDRZFMHAM-IYOUNJFTSA-N 1 0 394.483 1.483 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(F)(F)F ZINC001573753169 948717633 /nfs/dbraw/zinc/71/76/33/948717633.db2.gz RPKPXKQBTAXWGU-GGZOMVNGSA-N 1 0 386.353 1.941 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@@H]1CCCO1 ZINC001573753671 948720782 /nfs/dbraw/zinc/72/07/82/948720782.db2.gz WWICSVIMENEROP-GDLHICMESA-N 1 0 388.447 1.558 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)C(C)(F)F ZINC001573754006 948725742 /nfs/dbraw/zinc/72/57/42/948725742.db2.gz ZKFJZECXEQSFPG-GOONRYMUSA-N 1 0 382.440 1.766 20 0 GDADRO CC(C)c1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1 ZINC001574416720 948758537 /nfs/dbraw/zinc/75/85/37/948758537.db2.gz FHDQWWLRTUSCHQ-OAHLLOKOSA-N 1 0 383.456 1.199 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccccn1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574915161 948765409 /nfs/dbraw/zinc/76/54/09/948765409.db2.gz RSEAUNLURZIVPQ-HNNXBMFYSA-N 1 0 379.468 1.831 20 0 GDADRO CC(C)c1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574419870 948790108 /nfs/dbraw/zinc/79/01/08/948790108.db2.gz KVSIFHZZZNIEKN-UOIKSKOESA-N 1 0 392.467 1.573 20 0 GDADRO CC(C)c1cccc(C[N@H+](C)[C@@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574419987 948792991 /nfs/dbraw/zinc/79/29/91/948792991.db2.gz NJTSKVMBVXGVTL-ZDUSSCGKSA-N 1 0 382.472 1.964 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)c1snc(Cl)c1-c1nn[nH]n1 ZINC001574918572 948850885 /nfs/dbraw/zinc/85/08/85/948850885.db2.gz NQKCWIGQROOIRS-VIFPVBQESA-N 1 0 386.913 1.259 20 0 GDADRO CC(C)c1cnc(C[NH2+]C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)o1 ZINC001574424788 948863012 /nfs/dbraw/zinc/86/30/12/948863012.db2.gz VOJIAZWKVPLYDR-LBPRGKRZSA-N 1 0 384.444 1.558 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001574918851 948865894 /nfs/dbraw/zinc/86/58/94/948865894.db2.gz RTYAZDFPONGOOS-AWEZNQCLSA-N 1 0 389.479 1.823 20 0 GDADRO C[C@H](CNC(=O)CCc1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920056 948881163 /nfs/dbraw/zinc/88/11/63/948881163.db2.gz BCDMBOIMUJEBRM-GFCCVEGCSA-N 1 0 388.501 1.231 20 0 GDADRO C[C@H](CNC(=O)CCc1nccs1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574920030 948882036 /nfs/dbraw/zinc/88/20/36/948882036.db2.gz AQDNPQCSJLQMCA-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573764632 948890498 /nfs/dbraw/zinc/89/04/98/948890498.db2.gz PGNJCMYOULTOFQ-GOSISDBHSA-N 1 0 391.479 1.930 20 0 GDADRO CC(C)(C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1cccnc1 ZINC001573765190 948903674 /nfs/dbraw/zinc/90/36/74/948903674.db2.gz WDTYJIXTIJQQIJ-OAHLLOKOSA-N 1 0 392.467 1.459 20 0 GDADRO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001574088051 948906612 /nfs/dbraw/zinc/90/66/12/948906612.db2.gz ACYDAIFPHOVUTQ-IMSKVBIZSA-N 1 0 384.459 1.844 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574921367 948921132 /nfs/dbraw/zinc/92/11/32/948921132.db2.gz VRNQMOHATYWUIP-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574921498 948926103 /nfs/dbraw/zinc/92/61/03/948926103.db2.gz YWYLPRRMZHMVEV-LBPRGKRZSA-N 1 0 388.501 1.231 20 0 GDADRO CC(F)(F)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575236931 948940535 /nfs/dbraw/zinc/94/05/35/948940535.db2.gz BQRKTRKQJWCZGA-LBPRGKRZSA-N 1 0 386.378 1.008 20 0 GDADRO CC(C)c1nccn1CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574432936 948943814 /nfs/dbraw/zinc/94/38/14/948943814.db2.gz PWHYVJXOMSUQHN-UHFFFAOYSA-N 1 0 382.472 1.435 20 0 GDADRO C[C@H](CNC(=O)CCn1ccnc1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574923507 948952419 /nfs/dbraw/zinc/95/24/19/948952419.db2.gz ONIPHOISODZCTO-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H](CNC(=O)CCn1cc(Cl)cn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574923646 948955212 /nfs/dbraw/zinc/95/52/12/948955212.db2.gz QGMDBJMOVWAPOT-LBPRGKRZSA-N 1 0 388.863 1.401 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433435 948956072 /nfs/dbraw/zinc/95/60/72/948956072.db2.gz NKQBNZVAHNVRMS-LBPRGKRZSA-N 1 0 383.460 1.373 20 0 GDADRO CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001573772619 948965044 /nfs/dbraw/zinc/96/50/44/948965044.db2.gz WGUQKUBFXUIOGU-HNNXBMFYSA-N 1 0 384.488 1.221 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574433868 948965769 /nfs/dbraw/zinc/96/57/69/948965769.db2.gz UJBRUUIMUKTGJJ-CYBMUJFWSA-N 1 0 382.472 1.632 20 0 GDADRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC001573772838 948967296 /nfs/dbraw/zinc/96/72/96/948967296.db2.gz FZCXGXSROQQYQI-KRWDZBQOSA-N 1 0 386.500 1.650 20 0 GDADRO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573773079 948973032 /nfs/dbraw/zinc/97/30/32/948973032.db2.gz GGBUDQRBXXAYDA-SFHVURJKSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@H](CNC(=O)CN(C)c1ccccc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574926471 949001312 /nfs/dbraw/zinc/00/13/12/949001312.db2.gz RKUXYRKYEAJJRT-OAHLLOKOSA-N 1 0 379.468 1.597 20 0 GDADRO CC(C)(C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573774503 949011434 /nfs/dbraw/zinc/01/14/34/949011434.db2.gz SVZOKHYFYWCQBH-ZDUSSCGKSA-N 1 0 387.463 1.575 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001575502196 949016228 /nfs/dbraw/zinc/01/62/28/949016228.db2.gz IKRWFOPOWRJVSQ-KBPBESRZSA-N 1 0 381.440 1.324 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575246541 949032206 /nfs/dbraw/zinc/03/22/06/949032206.db2.gz GWOOLURSKBFWCO-STQMWFEESA-N 1 0 387.488 1.012 20 0 GDADRO CC(C)(C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001573775279 949039778 /nfs/dbraw/zinc/03/97/78/949039778.db2.gz VOZLBPKXAPPWOX-GFCCVEGCSA-N 1 0 383.378 1.579 20 0 GDADRO CC(C)c1nocc1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574441777 949077825 /nfs/dbraw/zinc/07/78/25/949077825.db2.gz WUIPPGXRWGNAEE-HAQNSBGRSA-N 1 0 382.428 1.416 20 0 GDADRO C[C@@H](CNC(=O)COCC1CCCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574932006 949125212 /nfs/dbraw/zinc/12/52/12/949125212.db2.gz STXCWKYCWYCFCD-ZDUSSCGKSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](c1ccccc1)[C@H](O)C[N@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575511637 949132250 /nfs/dbraw/zinc/13/22/50/949132250.db2.gz KPJMKQACUKOXCQ-SUMWQHHRSA-N 1 0 383.456 1.021 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574446865 949142772 /nfs/dbraw/zinc/14/27/72/949142772.db2.gz YOYGLFDZZXZQNJ-HNNXBMFYSA-N 1 0 384.440 1.464 20 0 GDADRO CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C1CCC1 ZINC001573786954 949156108 /nfs/dbraw/zinc/15/61/08/949156108.db2.gz JVWDRRNSQGQCQU-IAGOWNOFSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](c1cnccn1)[NH+]1CCC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575514275 949161588 /nfs/dbraw/zinc/16/15/88/949161588.db2.gz BVQQGZIAVXQPAS-GFCCVEGCSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574697894 949162704 /nfs/dbraw/zinc/16/27/04/949162704.db2.gz CYXCBAHNTQGBSJ-STQMWFEESA-N 1 0 390.463 1.757 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574934565 949166448 /nfs/dbraw/zinc/16/64/48/949166448.db2.gz LDORYLYTFWNQIC-ZDUSSCGKSA-N 1 0 384.415 1.679 20 0 GDADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575514537 949166921 /nfs/dbraw/zinc/16/69/21/949166921.db2.gz CTBACRIAEUJLLG-DYVFJYSZSA-N 1 0 383.456 1.021 20 0 GDADRO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575252515 949168404 /nfs/dbraw/zinc/16/84/04/949168404.db2.gz GMXGSXVHTFXGSD-UONOGXRCSA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)CC(=O)N(C)CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001574099158 949168602 /nfs/dbraw/zinc/16/86/02/949168602.db2.gz IOPUXZWXJKAYMN-UHFFFAOYSA-N 1 0 385.516 1.489 20 0 GDADRO C[C@@H](NC(=O)C(F)F)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575253078 949177890 /nfs/dbraw/zinc/17/78/90/949177890.db2.gz SDEMPZVJHIQQSZ-PWSUYJOCSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575515878 949199603 /nfs/dbraw/zinc/19/96/03/949199603.db2.gz MEJGWXLMPSETPH-CHWSQXEVSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574936778 949214244 /nfs/dbraw/zinc/21/42/44/949214244.db2.gz KSYPCTYZJHEUGR-NSHDSACASA-N 1 0 387.394 1.724 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574698970 949220366 /nfs/dbraw/zinc/22/03/66/949220366.db2.gz QPPFJBWPGFSYFH-STQMWFEESA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574699058 949222523 /nfs/dbraw/zinc/22/25/23/949222523.db2.gz RXXXTKRGCWGDPV-KGLIPLIRSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cnn(C)c1 ZINC001574699434 949237745 /nfs/dbraw/zinc/23/77/45/949237745.db2.gz UWBWXFJNHPGVJL-NWDGAFQWSA-N 1 0 388.501 1.402 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574699708 949245719 /nfs/dbraw/zinc/24/57/19/949245719.db2.gz VXUQYNFTBMLUEU-OLZOCXBDSA-N 1 0 390.463 1.757 20 0 GDADRO C[C@@H](NC(=O)[C@]1(C)CCCOC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575256256 949245681 /nfs/dbraw/zinc/24/56/81/949245681.db2.gz UQFQEUJGXLLASB-JLTOFOAXSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccc(F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574940453 949266586 /nfs/dbraw/zinc/26/65/86/949266586.db2.gz GCUOIGVYDLEREY-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]1(C)CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574702094 949271871 /nfs/dbraw/zinc/27/18/71/949271871.db2.gz GNUISAOTTHBGDV-KPZWWZAWSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)n1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001574452896 949273936 /nfs/dbraw/zinc/27/39/36/949273936.db2.gz QLIJZPJRVFCUAR-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(C)CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574702085 949274610 /nfs/dbraw/zinc/27/46/10/949274610.db2.gz GIYRBKMLZSAWPH-LBPRGKRZSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@H](CN(C)C(=O)C1(C)CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574702084 949275830 /nfs/dbraw/zinc/27/58/30/949275830.db2.gz GIYRBKMLZSAWPH-GFCCVEGCSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(F)CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574702361 949277687 /nfs/dbraw/zinc/27/76/87/949277687.db2.gz HNKHALDJZCIDFP-DIFFPNOSSA-N 1 0 380.399 1.071 20 0 GDADRO CC(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574109700 949327819 /nfs/dbraw/zinc/32/78/19/949327819.db2.gz AJWKSCBYKRRGTD-AWEZNQCLSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(c2cccnc2)CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574703389 949330058 /nfs/dbraw/zinc/33/00/58/949330058.db2.gz VPFKZYHAVVBTLK-HNNXBMFYSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@H](NC(=O)C1=CCOCC1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575259612 949334996 /nfs/dbraw/zinc/33/49/96/949334996.db2.gz PTPHGQNENHIVGG-LBPRGKRZSA-N 1 0 386.431 1.289 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc2c(c1)CCO2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574942188 949335827 /nfs/dbraw/zinc/33/58/27/949335827.db2.gz XMFSZMWGLGTSKS-CQSZACIVSA-N 1 0 392.463 1.639 20 0 GDADRO C[C@H]1CCC[C@]1(C)C(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576154432 949337291 /nfs/dbraw/zinc/33/72/91/949337291.db2.gz PJOIGHITEHPSMA-YWZLYKJASA-N 1 0 386.500 1.604 20 0 GDADRO CC(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573796590 949337746 /nfs/dbraw/zinc/33/77/46/949337746.db2.gz SYYWTFARCCRQEL-AWEZNQCLSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCC1(F)F)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260814 949361764 /nfs/dbraw/zinc/36/17/64/949361764.db2.gz XSCXBRCULLBWAY-ABAIWWIYSA-N 1 0 376.411 1.849 20 0 GDADRO CC1(C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)CCCCCC1 ZINC001575526341 949366186 /nfs/dbraw/zinc/36/61/86/949366186.db2.gz XYUPLJRDYBNLCJ-UHFFFAOYSA-N 1 0 387.488 1.277 20 0 GDADRO CC1(C)CN(C(=O)[C@]2(C)CCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575527417 949369595 /nfs/dbraw/zinc/36/95/95/949369595.db2.gz CBXUGYKDJTZOKA-OXQOHEQNSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001575262450 949372072 /nfs/dbraw/zinc/37/20/72/949372072.db2.gz AMGGUZHBDNSAPF-KBPBESRZSA-N 1 0 386.504 1.687 20 0 GDADRO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001574704195 949373581 /nfs/dbraw/zinc/37/35/81/949373581.db2.gz ATWWNAIAACENJR-GDBMZVCRSA-N 1 0 386.504 1.783 20 0 GDADRO C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575262524 949380649 /nfs/dbraw/zinc/38/06/49/949380649.db2.gz BFZSJJSMVXWBPX-RBZFPXEDSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCCOCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263140 949388849 /nfs/dbraw/zinc/38/88/49/949388849.db2.gz DYXMKLCLEGKJQT-GOEBONIOSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575263180 949393834 /nfs/dbraw/zinc/39/38/34/949393834.db2.gz FMLWNLIKQHTETB-RBZFPXEDSA-N 1 0 384.484 1.354 20 0 GDADRO CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575528304 949398168 /nfs/dbraw/zinc/39/81/68/949398168.db2.gz RLJRGJITNINEBN-HNNXBMFYSA-N 1 0 385.472 1.149 20 0 GDADRO CC1(C(=O)N2CCC(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC(F)(F)C1 ZINC001575533184 949410430 /nfs/dbraw/zinc/41/04/30/949410430.db2.gz FADUKDGRQQVGQU-UHFFFAOYSA-N 1 0 391.426 1.770 20 0 GDADRO C[C@H](CNC(=O)Cc1cncs1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574945508 949412978 /nfs/dbraw/zinc/41/29/78/949412978.db2.gz LEZWKALVYTWAPV-SNVBAGLBSA-N 1 0 375.433 1.299 20 0 GDADRO CC(C)(C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573804503 949469910 /nfs/dbraw/zinc/46/99/10/949469910.db2.gz WOJDHANAVCCYBK-GOSISDBHSA-N 1 0 376.436 1.105 20 0 GDADRO C[C@@H]1CCCC[C@@]1(C[NH2+]Cc1ccon1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576158886 949512112 /nfs/dbraw/zinc/51/21/12/949512112.db2.gz VMNOPCKVVKAAQR-XIKOKIGWSA-N 1 0 384.444 1.651 20 0 GDADRO C[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CC[NH+](C)CC1 ZINC001574949847 949516753 /nfs/dbraw/zinc/51/67/53/949516753.db2.gz FEDHXSMFFBRXFA-NSHDSACASA-N 1 0 378.868 1.278 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CCOCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574710962 949520796 /nfs/dbraw/zinc/52/07/96/949520796.db2.gz CPRWORRGFAGECU-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCCOC1 ZINC001575544079 949579271 /nfs/dbraw/zinc/57/92/71/949579271.db2.gz ANPJBNRIAARLDM-JXFKEZNVSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001574476034 949582980 /nfs/dbraw/zinc/58/29/80/949582980.db2.gz FDMLHMBZUFFJFB-ZDUSSCGKSA-N 1 0 388.501 1.666 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnco1 ZINC001573811039 949586875 /nfs/dbraw/zinc/58/68/75/949586875.db2.gz HBWYKIWLKKRPCR-HNNXBMFYSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@@H]1CCCC[C@H]1OCC[NH+]1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001576166670 949589728 /nfs/dbraw/zinc/58/97/28/949589728.db2.gz NIQZEEBJDQPBEJ-CXAGYDPISA-N 1 0 387.488 1.452 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnns1 ZINC001573811319 949596480 /nfs/dbraw/zinc/59/64/80/949596480.db2.gz JYOIKQDMDNOEOZ-LBPRGKRZSA-N 1 0 392.514 1.714 20 0 GDADRO C[C@@]1(C(=O)N2CCCCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCOC1 ZINC001575546840 949612570 /nfs/dbraw/zinc/61/25/70/949612570.db2.gz SDFWCEVNQNZPQQ-AUUYWEPGSA-N 1 0 385.472 1.293 20 0 GDADRO CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574127713 949620032 /nfs/dbraw/zinc/62/00/32/949620032.db2.gz JKPDJHOSSMLFPH-INIZCTEOSA-N 1 0 388.516 1.848 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1ncc[nH]1 ZINC001573812821 949621026 /nfs/dbraw/zinc/62/10/26/949621026.db2.gz UVSRYPLEAOAHAO-HNNXBMFYSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576167990 949623058 /nfs/dbraw/zinc/62/30/58/949623058.db2.gz RVMUQGJJUDTSJW-WVZRYYJFSA-N 1 0 387.488 1.641 20 0 GDADRO C[C@@H](NC(=O)CC[C@@H]1CCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575272320 949641420 /nfs/dbraw/zinc/64/14/20/949641420.db2.gz OWBITNMJVRUFJO-OCCSQVGLSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@@H](Nc1nc(Cl)c(-c2nn[nH]n2)s1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001575273265 949660721 /nfs/dbraw/zinc/66/07/21/949660721.db2.gz VEHMCXZJVMCBLR-DTWKUNHWSA-N 1 0 386.913 1.624 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+](C)C)C1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575274117 949677930 /nfs/dbraw/zinc/67/79/30/949677930.db2.gz YUPCKWRBFRPWGX-CYBMUJFWSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574958808 949695517 /nfs/dbraw/zinc/69/55/17/949695517.db2.gz NRGMWJVKHMZXSJ-KCPJHIHWSA-N 1 0 384.415 1.997 20 0 GDADRO C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@@H]3C2)CCOC1 ZINC001575554469 949696295 /nfs/dbraw/zinc/69/62/95/949696295.db2.gz SUAVDEZLAUVJGZ-JCGVRSQUSA-N 1 0 388.497 1.245 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574958973 949700561 /nfs/dbraw/zinc/70/05/61/949700561.db2.gz XBBISZBDBMTJDY-REJLFOLJSA-N 1 0 376.486 1.338 20 0 GDADRO C[C@@H](NC(=O)CCc1ccon1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575276124 949708999 /nfs/dbraw/zinc/70/89/99/949708999.db2.gz GRICLTLIMUGSJL-LLVKDONJSA-N 1 0 387.469 1.486 20 0 GDADRO C[C@H]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576170559 949725309 /nfs/dbraw/zinc/72/53/09/949725309.db2.gz LRYOMERBCCEEDH-MAUKXSAKSA-N 1 0 386.500 1.604 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575882044 949747026 /nfs/dbraw/zinc/74/70/26/949747026.db2.gz FTDFBBZYUAAPNN-PBHICJAKSA-N 1 0 380.456 1.233 20 0 GDADRO C[C@@]1(C(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CCCC2)CCOC1 ZINC001575558832 949747992 /nfs/dbraw/zinc/74/79/92/949747992.db2.gz SMSVKRRYTLTKNF-QFBILLFUSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CNc1cccc(F)c1-c1nn[nH]n1 ZINC001574963790 949759427 /nfs/dbraw/zinc/75/94/27/949759427.db2.gz NFNXBWBPUOTELY-RDBSUJKOSA-N 1 0 389.479 1.900 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574718331 949777361 /nfs/dbraw/zinc/77/73/61/949777361.db2.gz ZWQYPJHMDNMSCQ-HXPMCKFVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@]1(C(=O)NC2CC(C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575560577 949792167 /nfs/dbraw/zinc/79/21/67/949792167.db2.gz SETMQKJWFSASMK-UZABCXPZSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](CNC(=O)c1c(Cl)cnn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574965241 949795057 /nfs/dbraw/zinc/79/50/57/949795057.db2.gz DOVLAHSLUDXZJP-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C[NH2+]Cc1cccnc1 ZINC001576172339 949800686 /nfs/dbraw/zinc/80/06/86/949800686.db2.gz WITFVJYSXSBACF-DYVFJYSZSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)COc1ccc(F)cc1 ZINC001575281406 949808236 /nfs/dbraw/zinc/80/82/36/949808236.db2.gz FYZUEBORMQFPPA-NEPJUHHUSA-N 1 0 385.403 1.207 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575883547 949820780 /nfs/dbraw/zinc/82/07/80/949820780.db2.gz RIVFAICKRDXDNC-GUYCJALGSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H](CNC(=O)c1c(Cl)cnn1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574965965 949829247 /nfs/dbraw/zinc/82/92/47/949829247.db2.gz QBVBRDPWPGONDR-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001574483737 949836597 /nfs/dbraw/zinc/83/65/97/949836597.db2.gz KORWMGQWURZSFS-PBHICJAKSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574722952 949849838 /nfs/dbraw/zinc/84/98/38/949849838.db2.gz YPQXTQONZSWLGV-OAHLLOKOSA-N 1 0 386.504 1.787 20 0 GDADRO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574722990 949850924 /nfs/dbraw/zinc/85/09/24/949850924.db2.gz ZELWJEONGBRLCX-AWEZNQCLSA-N 1 0 387.492 1.182 20 0 GDADRO C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574724074 949865156 /nfs/dbraw/zinc/86/51/56/949865156.db2.gz FGJPWNOLPYBJIP-LLVKDONJSA-N 1 0 392.895 1.658 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccon1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574724903 949885882 /nfs/dbraw/zinc/88/58/82/949885882.db2.gz LPIHIQVINSIGJU-LLVKDONJSA-N 1 0 375.458 1.486 20 0 GDADRO CC1(C(=O)N[C@@H]2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575565791 949887884 /nfs/dbraw/zinc/88/78/84/949887884.db2.gz YKHIENLTMQTQMD-UONOGXRCSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H](NC(=O)COC(C)(C)C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575284009 949893481 /nfs/dbraw/zinc/89/34/81/949893481.db2.gz SLICINOJGYBZLR-GFCCVEGCSA-N 1 0 390.463 1.757 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1cncn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574725254 949896033 /nfs/dbraw/zinc/89/60/33/949896033.db2.gz QJHSCBFSOQTCII-LBPRGKRZSA-N 1 0 388.501 1.231 20 0 GDADRO C[C@H](NC(=O)CCn1cccc1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575284108 949898252 /nfs/dbraw/zinc/89/82/52/949898252.db2.gz HRVXACQIYRWKFM-HNNXBMFYSA-N 1 0 379.468 1.695 20 0 GDADRO C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575284267 949903512 /nfs/dbraw/zinc/90/35/12/949903512.db2.gz TVMWLBPYZJZWGC-KGLIPLIRSA-N 1 0 387.488 1.798 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cc2cnoc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575887653 949903822 /nfs/dbraw/zinc/90/38/22/949903822.db2.gz ZGKVJERMOQXYQG-CXAGYDPISA-N 1 0 381.440 1.567 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576179129 949906286 /nfs/dbraw/zinc/90/62/86/949906286.db2.gz DSKJQPBAAIIKIG-DYVFJYSZSA-N 1 0 381.440 1.885 20 0 GDADRO C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576179715 949924273 /nfs/dbraw/zinc/92/42/73/949924273.db2.gz BWJQKOINJGKKOJ-HUUCEWRRSA-N 1 0 386.504 1.500 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1nccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574726221 949929833 /nfs/dbraw/zinc/92/98/33/949929833.db2.gz XUADOQLJOKQRQD-LBPRGKRZSA-N 1 0 388.501 1.231 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180167 949943544 /nfs/dbraw/zinc/94/35/44/949943544.db2.gz NFPKYOICZBVPSM-ABAIWWIYSA-N 1 0 384.469 1.493 20 0 GDADRO CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCOCC1 ZINC001574146560 949943853 /nfs/dbraw/zinc/94/38/53/949943853.db2.gz ZRENHEZOIQSWDL-AWEZNQCLSA-N 1 0 389.504 1.746 20 0 GDADRO C[C@H](NC(=O)CCn1ccnc1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575285541 949948683 /nfs/dbraw/zinc/94/86/83/949948683.db2.gz OIZLQMWRYRLIHA-AWEZNQCLSA-N 1 0 380.456 1.090 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)CCCOC1 ZINC001575571783 949961074 /nfs/dbraw/zinc/96/10/74/949961074.db2.gz AGOWTXLRLYKZML-XLIONFOSSA-N 1 0 384.484 1.668 20 0 GDADRO CC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCCC1 ZINC001575572066 949968692 /nfs/dbraw/zinc/96/86/92/949968692.db2.gz CWNDRQUZFKWRSO-CQSZACIVSA-N 1 0 390.463 1.543 20 0 GDADRO CC(C)(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573830183 949971134 /nfs/dbraw/zinc/97/11/34/949971134.db2.gz HXBVMVCBYLRFCB-HXUWFJFHSA-N 1 0 386.500 1.746 20 0 GDADRO CC1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCOCC1 ZINC001575572889 949984074 /nfs/dbraw/zinc/98/40/74/949984074.db2.gz IWPAOAAQGBONSS-CQSZACIVSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C2CC2)CCOC1 ZINC001575572954 949989662 /nfs/dbraw/zinc/98/96/62/949989662.db2.gz JWXYZMXFYGYWKB-VQIMIIECSA-N 1 0 388.447 1.417 20 0 GDADRO CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001573834096 950013396 /nfs/dbraw/zinc/01/33/96/950013396.db2.gz FYCMIOQJOMOKLU-QWHCGFSZSA-N 1 0 378.502 1.416 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cnoc1 ZINC001574150220 950018800 /nfs/dbraw/zinc/01/88/00/950018800.db2.gz AFCJBRZFHVCBDE-KRWDZBQOSA-N 1 0 383.456 1.718 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574491179 950026508 /nfs/dbraw/zinc/02/65/08/950026508.db2.gz ANRPWNIVJLLMFF-HOCLYGCPSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1ncccc1F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574730702 950036530 /nfs/dbraw/zinc/03/65/30/950036530.db2.gz BDEMJVFEUGGSHZ-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)CCCOC1 ZINC001575574896 950038026 /nfs/dbraw/zinc/03/80/26/950038026.db2.gz BIHKIJABQGBVEB-GOSISDBHSA-N 1 0 388.447 1.561 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1nnc[nH]1 ZINC001574150895 950045495 /nfs/dbraw/zinc/04/54/95/950045495.db2.gz GLURHOVEGMEUKQ-LBPRGKRZSA-N 1 0 387.423 1.058 20 0 GDADRO CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCCC1 ZINC001575575456 950050939 /nfs/dbraw/zinc/05/09/39/950050939.db2.gz JIUUTJKPTSOKFD-AWEZNQCLSA-N 1 0 390.463 1.543 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnn(C)c1 ZINC001574151116 950053965 /nfs/dbraw/zinc/05/39/65/950053965.db2.gz LHKQNQCYUOQIHT-CYBMUJFWSA-N 1 0 388.501 1.596 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CC1(O)CCC1 ZINC001574151436 950076995 /nfs/dbraw/zinc/07/69/95/950076995.db2.gz REGCXNVFWVIBGJ-KRWDZBQOSA-N 1 0 386.500 1.792 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CCc1c(F)cccc1F ZINC001574976645 950092668 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DEEONNAGVHROQH-CJNGLKHVSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccncn1 ZINC001575905436 950294725 /nfs/dbraw/zinc/29/47/25/950294725.db2.gz CKKOJHHVPGFAQB-ABAIWWIYSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1csnn1 ZINC001575905998 950303338 /nfs/dbraw/zinc/30/33/38/950303338.db2.gz FPVUASAJYYHXAA-RNCFNFMXSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@@H](CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574500232 950307309 /nfs/dbraw/zinc/30/73/09/950307309.db2.gz YMAZUBSSAVIGBY-WHXUTIOJSA-N 1 0 383.378 1.579 20 0 GDADRO C[C@@]1(C(=O)NCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)CCCOC1 ZINC001575593263 950309733 /nfs/dbraw/zinc/30/97/33/950309733.db2.gz NEKNVMWKRGCRGX-HXUWFJFHSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cnoc1 ZINC001575906393 950314054 /nfs/dbraw/zinc/31/40/54/950314054.db2.gz IIENLYOFIFLBKJ-MEDUHNTESA-N 1 0 385.403 1.316 20 0 GDADRO 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C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574507404 950453105 /nfs/dbraw/zinc/45/31/05/950453105.db2.gz IFTCLGTWZDEDCU-WSMBLCCSSA-N 1 0 385.472 1.196 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cccnc1 ZINC001575912246 950465467 /nfs/dbraw/zinc/46/54/67/950465467.db2.gz RCWJFVGDSQTUHK-KSSFIOAISA-N 1 0 377.452 1.583 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cccnc1 ZINC001575912244 950466133 /nfs/dbraw/zinc/46/61/33/950466133.db2.gz RCWJFVGDSQTUHK-KBXCAEBGSA-N 1 0 377.452 1.583 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CC1CCOCC1 ZINC001575912969 950472830 /nfs/dbraw/zinc/47/28/30/950472830.db2.gz SBRFGFNPIBDDCR-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575605709 950477389 /nfs/dbraw/zinc/47/73/89/950477389.db2.gz PFTDOPCXSUASBU-ZRGWGRIASA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204971 950487422 /nfs/dbraw/zinc/48/74/22/950487422.db2.gz TTZJSKAKVVGSKU-BBRMVZONSA-N 1 0 387.463 1.038 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263488509 950488187 /nfs/dbraw/zinc/48/81/87/950488187.db2.gz QGYPVFYEOZTHBF-GOSISDBHSA-N 1 0 376.501 1.942 20 0 GDADRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOCC1 ZINC001575607540 950502150 /nfs/dbraw/zinc/50/21/50/950502150.db2.gz IQFCEHBSESQMGF-HDJSIYSDSA-N 1 0 388.447 1.559 20 0 GDADRO CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOCC1 ZINC001575607578 950506612 /nfs/dbraw/zinc/50/66/12/950506612.db2.gz KCBIFGFLSNOXAX-JOCQHMNTSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCCOC1 ZINC001575608228 950514675 /nfs/dbraw/zinc/51/46/75/950514675.db2.gz OURRVMKIZDSRTN-SPYBWZPUSA-N 1 0 388.447 1.559 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573866902 950516109 /nfs/dbraw/zinc/51/61/09/950516109.db2.gz NHQSMHDFPMYHIH-CQSZACIVSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575609533 950523302 /nfs/dbraw/zinc/52/33/02/950523302.db2.gz XLWHKNXOSDCTQU-AKCHCHLHSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(F)cn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574753519 950527661 /nfs/dbraw/zinc/52/76/61/950527661.db2.gz OJLXWIDBMKPKOD-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574996439 950530155 /nfs/dbraw/zinc/53/01/55/950530155.db2.gz NPACCKBUKXXZHN-JTQLQIEISA-N 1 0 388.501 1.857 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573867368 950534140 /nfs/dbraw/zinc/53/41/40/950534140.db2.gz XMIODUCMAGYQHA-CQSZACIVSA-N 1 0 376.436 1.511 20 0 GDADRO CC1CC[NH+](CC(=O)NCC2CC(Nc3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001576205731 950534747 /nfs/dbraw/zinc/53/47/47/950534747.db2.gz NTOOWXRDWPMXNN-UHFFFAOYSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc2nncn2c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574753700 950537593 /nfs/dbraw/zinc/53/75/93/950537593.db2.gz QSXNHOPWBBLBIG-CYBMUJFWSA-N 1 0 391.439 1.160 20 0 GDADRO CC(C)c1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)n(C)n1 ZINC001574997440 950550062 /nfs/dbraw/zinc/55/00/62/950550062.db2.gz VEQDGGLFANHFCA-CYBMUJFWSA-N 1 0 382.472 1.632 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCC2CC(Nc3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576205977 950553152 /nfs/dbraw/zinc/55/31/52/950553152.db2.gz SHABQDCJQTZFLI-HSBZDZAISA-N 1 0 387.463 1.654 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001574754423 950574670 /nfs/dbraw/zinc/57/46/70/950574670.db2.gz LISMKALXCVEXLD-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)no1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574999451 950580599 /nfs/dbraw/zinc/58/05/99/950580599.db2.gz KDWVAEQNMQZEMV-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001576206962 950588192 /nfs/dbraw/zinc/58/81/92/950588192.db2.gz ZWTGEZSLDXYITE-INIZCTEOSA-N 1 0 384.488 1.079 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573870426 950588835 /nfs/dbraw/zinc/58/88/35/950588835.db2.gz WBPBQPWDDDZIFO-INIZCTEOSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001574755204 950592306 /nfs/dbraw/zinc/59/23/06/950592306.db2.gz STJRDNAJJHLRRH-GFCCVEGCSA-N 1 0 385.476 1.397 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573870570 950600207 /nfs/dbraw/zinc/60/02/07/950600207.db2.gz IUECKFJVKXTDKG-AWEZNQCLSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)CCC(=O)N[C@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574174041 950616168 /nfs/dbraw/zinc/61/61/68/950616168.db2.gz DSQFCEGSCYBOBO-HXUWFJFHSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccccc1O)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574759037 950626502 /nfs/dbraw/zinc/62/65/02/950626502.db2.gz JUENPFULNZJSRG-LBPRGKRZSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574759276 950633875 /nfs/dbraw/zinc/63/38/75/950633875.db2.gz ASIBVLJHERQNAH-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@@H](C(=O)[O-])CC[C@H]3C)cc2)CC1 ZINC001589744244 950645894 /nfs/dbraw/zinc/64/58/94/950645894.db2.gz JHBKPZIJVHMSLM-SJORKVTESA-N 1 0 388.512 1.952 20 0 GDADRO CC1(C)CC(C(=O)N2CCO[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001575623584 950651182 /nfs/dbraw/zinc/65/11/82/950651182.db2.gz DCMRQDKZWMXROM-QGZVFWFLSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](Cn1c(-c2cccc(-c3nn[nH]n3)c2)nnc1N1CC[C@H](C)C1)[NH+](C)C ZINC001576214140 950658371 /nfs/dbraw/zinc/65/83/71/950658371.db2.gz NKEPOPADFWUEHC-UONOGXRCSA-N 1 0 381.488 1.922 20 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C[C@H](CN(C)C(=O)c1cn2c(n1)CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574762658 950714135 /nfs/dbraw/zinc/71/41/35/950714135.db2.gz ZYZBOUNFLWMYCQ-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574763649 950727268 /nfs/dbraw/zinc/72/72/68/950727268.db2.gz HFZGQGSVKUTDKI-GFCCVEGCSA-N 1 0 381.444 1.178 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575927332 950740272 /nfs/dbraw/zinc/74/02/72/950740272.db2.gz PDMTZYLBGWQZCJ-WCBMZHEXSA-N 1 0 390.354 1.324 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576217060 950753075 /nfs/dbraw/zinc/75/30/75/950753075.db2.gz GOANQCAKSNUUMJ-JQWIXIFHSA-N 1 0 377.399 1.378 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1ncc[nH]1 ZINC001574521445 950778587 /nfs/dbraw/zinc/77/85/87/950778587.db2.gz GGELCSURKIJTMR-NWDGAFQWSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575930193 950793477 /nfs/dbraw/zinc/79/34/77/950793477.db2.gz DXRMHQFDEQLTEJ-BXUZGUMPSA-N 1 0 388.451 1.144 20 0 GDADRO C[C@@H]1CN(C(=O)C(F)F)C[C@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)O1 ZINC001576219003 950799534 /nfs/dbraw/zinc/79/95/34/950799534.db2.gz NGFNIEVACJWVBE-KZULUSFZSA-N 1 0 392.410 1.324 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1ncc[nH]1 ZINC001574522812 950799759 /nfs/dbraw/zinc/79/97/59/950799759.db2.gz LCXYSUIBANLAMK-NWDGAFQWSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)CCC[NH+](C)C ZINC001575931142 950800866 /nfs/dbraw/zinc/80/08/66/950800866.db2.gz HANGKBZIKBYKLL-RISCZKNCSA-N 1 0 376.440 1.144 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCc1ccon1 ZINC001574523142 950810078 /nfs/dbraw/zinc/81/00/78/950810078.db2.gz MHPWBTIIOGEVEA-UONOGXRCSA-N 1 0 383.456 1.860 20 0 GDADRO C[C@H]1[C@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575933702 950844528 /nfs/dbraw/zinc/84/45/28/950844528.db2.gz PHOGMMQTWNMHLX-GOEBONIOSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cncn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574524465 950862771 /nfs/dbraw/zinc/86/27/71/950862771.db2.gz WTCVIMXBAXXTQO-KGLIPLIRSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1(F)CCOCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574524705 950866492 /nfs/dbraw/zinc/86/64/92/950866492.db2.gz YRBJEGJGJSMJOF-KGLIPLIRSA-N 1 0 390.463 1.758 20 0 GDADRO CC(C)C(=O)N1C[C@H](C)OC2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576222214 950869591 /nfs/dbraw/zinc/86/95/91/950869591.db2.gz XZKYMAGIXTZHJG-AWEZNQCLSA-N 1 0 385.472 1.504 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCn1ccnc1 ZINC001574524725 950870916 /nfs/dbraw/zinc/87/09/16/950870916.db2.gz YVJYMHYAQKPETG-GJZGRUSLSA-N 1 0 382.472 1.526 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1cnoc1 ZINC001574524866 950876144 /nfs/dbraw/zinc/87/61/44/950876144.db2.gz ZVLWUNNBYVCFLE-RYUDHWBXSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1csnn1 ZINC001574527211 950881131 /nfs/dbraw/zinc/88/11/31/950881131.db2.gz AQYYENJTNNYXJJ-UWVGGRQHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnns1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574527540 950892719 /nfs/dbraw/zinc/89/27/19/950892719.db2.gz DBNQSQDBSVPNFK-BDAKNGLRSA-N 1 0 378.487 1.466 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574527705 950900088 /nfs/dbraw/zinc/90/00/88/950900088.db2.gz GCEADXDKOMGEAC-MNOVXSKESA-N 1 0 387.469 1.716 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccnnc1 ZINC001574527953 950914304 /nfs/dbraw/zinc/91/43/04/950914304.db2.gz IWGYDERKHVVFEV-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO CC1(C)C[C@H](NC(=O)[C@H]2CCCO2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575642005 950930934 /nfs/dbraw/zinc/93/09/34/950930934.db2.gz SLOLSZIGRSPJJJ-CZUORRHYSA-N 1 0 385.472 1.552 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cn(C)cn1 ZINC001574529003 950947689 /nfs/dbraw/zinc/94/76/89/950947689.db2.gz OZCPDFIIROKHRA-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575642867 950951823 /nfs/dbraw/zinc/95/18/23/950951823.db2.gz JABALINESBATAP-JXFKEZNVSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CCO1 ZINC001575937759 950962717 /nfs/dbraw/zinc/96/27/17/950962717.db2.gz HAHLBXHEAQTLHX-ZFWWWQNUSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC1(F)F ZINC001574772499 950967800 /nfs/dbraw/zinc/96/78/00/950967800.db2.gz SYOQMKJZGZCHGG-HZMBPMFUSA-N 1 0 382.390 1.988 20 0 GDADRO CC1CC(C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575938076 950972988 /nfs/dbraw/zinc/97/29/88/950972988.db2.gz IORXJDCQYPIOTI-ZUEPYMLJSA-N 1 0 390.463 1.303 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]CCn1cc(Cl)cn1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574530596 950989070 /nfs/dbraw/zinc/98/90/70/950989070.db2.gz CLFHDTTZCCQFFI-QWRGUYRKSA-N 1 0 391.867 1.231 20 0 GDADRO C[C@H](CNC(=O)c1ccc(N(C)C)nc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024497 951104247 /nfs/dbraw/zinc/10/42/47/951104247.db2.gz FRAWTEGXDDWOJD-CYBMUJFWSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@H](CNC(=O)c1ccc2[nH]ccc2n1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575024761 951115994 /nfs/dbraw/zinc/11/59/94/951115994.db2.gz MJGOKVYBTWPMSZ-CYBMUJFWSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1COCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575027971 951165864 /nfs/dbraw/zinc/16/58/64/951165864.db2.gz KCYLCRMHEUEIOE-CQSZACIVSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@@H](CNC(=O)c1ccncc1C(F)(F)F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575033839 951229586 /nfs/dbraw/zinc/22/95/86/951229586.db2.gz CIWPELRWMKFZDU-VIFPVBQESA-N 1 0 392.345 1.328 20 0 GDADRO C[C@@H](CNC(=O)c1ccsn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575037534 951305191 /nfs/dbraw/zinc/30/51/91/951305191.db2.gz AHPPUBOHPZEHSG-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575042454 951362105 /nfs/dbraw/zinc/36/21/05/951362105.db2.gz JSTCZURJNMNEIA-GFCCVEGCSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)o1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575043626 951399296 /nfs/dbraw/zinc/39/92/96/951399296.db2.gz KWJZCYWWDJVGJM-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575044554 951415195 /nfs/dbraw/zinc/41/51/95/951415195.db2.gz SIRHUUHGAMKSKO-CYBMUJFWSA-N 1 0 380.456 1.308 20 0 GDADRO CC(C)c1ncncc1C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575045959 951435968 /nfs/dbraw/zinc/43/59/68/951435968.db2.gz JVAXGTBPVUERBH-LBPRGKRZSA-N 1 0 381.444 1.075 20 0 GDADRO C[C@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575046555 951443836 /nfs/dbraw/zinc/44/38/36/951443836.db2.gz OXQWRTYRZQGYTC-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575052761 951472355 /nfs/dbraw/zinc/47/23/55/951472355.db2.gz NWQIFDCPVYYIDF-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2ncccc12)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575055322 951503521 /nfs/dbraw/zinc/50/35/21/951503521.db2.gz QMAUXFBCIIBQMV-ZDUSSCGKSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@H](CNC(=O)c1cnn2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575055461 951505084 /nfs/dbraw/zinc/50/50/84/951505084.db2.gz UXZHOUUJAMNUOK-CYBMUJFWSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)c1coc(C2CC2)n1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575056424 951521368 /nfs/dbraw/zinc/52/13/68/951521368.db2.gz IZYSBPOVSBTHQT-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1coc(C2CC2)n1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575057876 951533334 /nfs/dbraw/zinc/53/33/34/951533334.db2.gz SGAJYDZQEFAVJM-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575060650 951545737 /nfs/dbraw/zinc/54/57/37/951545737.db2.gz CALJOLAPODCYEX-LLVKDONJSA-N 1 0 381.444 1.118 20 0 GDADRO C[C@@H](CNC(=O)c1noc2c1CCCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067524 951613281 /nfs/dbraw/zinc/61/32/81/951613281.db2.gz UULOUPFUJCXCIE-LLVKDONJSA-N 1 0 382.428 1.028 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001575077393 951668413 /nfs/dbraw/zinc/66/84/13/951668413.db2.gz CIBJZTUYRQWTKR-NSHDSACASA-N 1 0 386.460 1.636 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077853 951676426 /nfs/dbraw/zinc/67/64/26/951676426.db2.gz IZQPWYRWVCWZCK-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(CO)ccc1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575078535 951682844 /nfs/dbraw/zinc/68/28/44/951682844.db2.gz NCBSTZRKPDNSJF-LLVKDONJSA-N 1 0 387.419 1.077 20 0 GDADRO C[C@H](CNC(=O)[C@@]1(C)CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078798 951684670 /nfs/dbraw/zinc/68/46/70/951684670.db2.gz ABMYWTKFJHAMGS-DJJJIMSYSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)CC1CCOCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078901 951685404 /nfs/dbraw/zinc/68/54/04/951685404.db2.gz NUWXKRLZUPQQLE-CYBMUJFWSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001575079167 951689597 /nfs/dbraw/zinc/68/95/97/951689597.db2.gz LRFOZVUKRAOPAR-NWDGAFQWSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001575079739 951696660 /nfs/dbraw/zinc/69/66/60/951696660.db2.gz GDOCBEMOUREWJD-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080090 951702163 /nfs/dbraw/zinc/70/21/63/951702163.db2.gz UPHQUDWPDAMTSG-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001575080155 951704217 /nfs/dbraw/zinc/70/42/17/951704217.db2.gz PDSYVPJRIDGYDW-RYUDHWBXSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@H](CNC(=O)c1cnsn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080385 951707890 /nfs/dbraw/zinc/70/78/90/951707890.db2.gz KPUWNAWNGKBGHR-VIFPVBQESA-N 1 0 376.421 1.013 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575080901 951718332 /nfs/dbraw/zinc/71/83/32/951718332.db2.gz ZYZUOGIPBWIOLE-KZULUSFZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)COC1CCCC1 ZINC001575081213 951722062 /nfs/dbraw/zinc/72/20/62/951722062.db2.gz PWLXTTARGHLIDT-ZDUSSCGKSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)[C@H]1CCCO1)C1CC1 ZINC001575081932 951729330 /nfs/dbraw/zinc/72/93/30/951729330.db2.gz WSXHWUQANHXHCW-VQIMIIECSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](CNC(=O)CCc1cn[nH]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082874 951737282 /nfs/dbraw/zinc/73/72/82/951737282.db2.gz YUMPTRAPTXCTSD-LBPRGKRZSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1ccsn1 ZINC001575082884 951738013 /nfs/dbraw/zinc/73/80/13/951738013.db2.gz YYYQHNVDHPCWCB-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575088708 951742782 /nfs/dbraw/zinc/74/27/82/951742782.db2.gz BEHGORNJWBCJOO-DIFFPNOSSA-N 1 0 376.486 1.339 20 0 GDADRO C[C@H](CNC(=O)c1ccccc1O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089104 951745785 /nfs/dbraw/zinc/74/57/85/951745785.db2.gz DKZQKXMOFXHMAW-LBPRGKRZSA-N 1 0 384.415 1.867 20 0 GDADRO C[C@@H](CNC(=O)C1(F)CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089370 951748420 /nfs/dbraw/zinc/74/84/20/951748420.db2.gz GWJUCXCANCBTNY-CYBMUJFWSA-N 1 0 376.436 1.227 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cnsn1 ZINC001575090069 951757218 /nfs/dbraw/zinc/75/72/18/951757218.db2.gz IXAPXFUTXSXPBE-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1ncc(F)cc1F ZINC001575090335 951759840 /nfs/dbraw/zinc/75/98/40/951759840.db2.gz KPPVLJVSOUOALT-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ccccc1O ZINC001575090700 951763088 /nfs/dbraw/zinc/76/30/88/951763088.db2.gz LGKSEBQHRADEDU-LBPRGKRZSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1CCC(O)CC1 ZINC001575090995 951765954 /nfs/dbraw/zinc/76/59/54/951765954.db2.gz OSQKJXBDDUSYHN-FUJMWEONSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)[C@H]1CCCO1)C1CC1 ZINC001575091609 951780234 /nfs/dbraw/zinc/78/02/34/951780234.db2.gz VXMXTHNIQUYFON-VQIMIIECSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cccc(=O)[nH]1 ZINC001575091815 951784217 /nfs/dbraw/zinc/78/42/17/951784217.db2.gz VBSQXIRIYCXNCA-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)c1ccncn1)C1CC1 ZINC001575091933 951787956 /nfs/dbraw/zinc/78/79/56/951787956.db2.gz ZFFCWLXCZMHQFX-KRWDZBQOSA-N 1 0 384.469 1.407 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001575092489 951793619 /nfs/dbraw/zinc/79/36/19/951793619.db2.gz CCIMHITZYURTHL-AWEZNQCLSA-N 1 0 382.472 1.800 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)COc1cccnc1 ZINC001575093371 951798566 /nfs/dbraw/zinc/79/85/66/951798566.db2.gz IIOPSTDHQBBRNH-AWEZNQCLSA-N 1 0 381.440 1.277 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575093855 951801703 /nfs/dbraw/zinc/80/17/03/951801703.db2.gz LEXSCFSBOXHMRO-KSSFIOAISA-N 1 0 392.463 1.979 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575095124 951808301 /nfs/dbraw/zinc/80/83/01/951808301.db2.gz RXRFFAZQWLIRQT-LTUQZUHASA-N 1 0 382.468 1.227 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096087 951817549 /nfs/dbraw/zinc/81/75/49/951817549.db2.gz ZBILBJUQMAFHSV-MDASCCDHSA-N 1 0 391.479 1.907 20 0 GDADRO C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099001 951828158 /nfs/dbraw/zinc/82/81/58/951828158.db2.gz GVGOMKKFXYGQAJ-NEPJUHHUSA-N 1 0 388.501 1.307 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)no1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099320 951832076 /nfs/dbraw/zinc/83/20/76/951832076.db2.gz JZWDNLANSUTNJJ-SNVBAGLBSA-N 1 0 387.469 1.949 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)C(F)(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099387 951833216 /nfs/dbraw/zinc/83/32/16/951833216.db2.gz LGHIPRGHBMFPHV-DTWKUNHWSA-N 1 0 376.408 1.969 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)c1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100801 951847490 /nfs/dbraw/zinc/84/74/90/951847490.db2.gz VGZFBRNMSCUKJK-QWHCGFSZSA-N 1 0 385.497 1.969 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575101053 951851363 /nfs/dbraw/zinc/85/13/63/951851363.db2.gz YJPPYVMFVCHQNJ-LMRQPLJMSA-N 1 0 390.513 1.585 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1cncn1C ZINC001575101069 951853946 /nfs/dbraw/zinc/85/39/46/951853946.db2.gz YWLZBLYYDWURDE-GFCCVEGCSA-N 1 0 388.501 1.231 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)(NC(=O)c1ncc[nH]1)C1CC1 ZINC001575101251 951855140 /nfs/dbraw/zinc/85/51/40/951855140.db2.gz BGZYXSMOPIPXDI-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1ccncc1F ZINC001575101968 951865521 /nfs/dbraw/zinc/86/55/21/951865521.db2.gz KDPCVYYNJJTOSM-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575103706 951878008 /nfs/dbraw/zinc/87/80/08/951878008.db2.gz VIDJYXOOZPYNNF-OCCSQVGLSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CCn1cccn1 ZINC001575104074 951881856 /nfs/dbraw/zinc/88/18/56/951881856.db2.gz BCQICCODJFGHAS-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575105387 951893544 /nfs/dbraw/zinc/89/35/44/951893544.db2.gz INACZRLKHWTJKH-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575106113 951900781 /nfs/dbraw/zinc/90/07/81/951900781.db2.gz PZVSSFGFUVIQRX-UKRRQHHQSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001575106528 951905841 /nfs/dbraw/zinc/90/58/41/951905841.db2.gz RSMRCGMTRINTOG-XLSPSMHOSA-N 1 0 382.468 1.134 20 0 GDADRO C[C@H](CNC(=O)CCc1nccn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106971 951910116 /nfs/dbraw/zinc/91/01/16/951910116.db2.gz WPJVEAPMWYFGLB-AWEZNQCLSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@H](CNC(=O)c1ccn(C(F)F)n1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107323 951916864 /nfs/dbraw/zinc/91/68/64/951916864.db2.gz CPFORRXHWRAXLR-NSHDSACASA-N 1 0 390.398 1.614 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cc(Cl)no1 ZINC001575109231 951928101 /nfs/dbraw/zinc/92/81/01/951928101.db2.gz PZMQTYQRJABJRU-SNVBAGLBSA-N 1 0 375.820 1.758 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109968 951935912 /nfs/dbraw/zinc/93/59/12/951935912.db2.gz WVAKEFXVDFVWHY-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110286 951939809 /nfs/dbraw/zinc/93/98/09/951939809.db2.gz ZEEWHPNWXCXGLZ-CYBMUJFWSA-N 1 0 380.456 1.165 20 0 GDADRO C[C@H](CNC(=O)c1c(Cl)cnn1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115474 951963971 /nfs/dbraw/zinc/96/39/71/951963971.db2.gz XHOSDDFTUHRDDP-NSHDSACASA-N 1 0 388.863 1.409 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1Cl)[NH+]1CCCCC1 ZINC001575117305 951977318 /nfs/dbraw/zinc/97/73/18/951977318.db2.gz MCGPXJXBMMJVEZ-NSHDSACASA-N 1 0 384.893 1.673 20 0 GDADRO C[C@@H](CNc1cc(Br)ccc1-c1nn[nH]n1)[NH+]1CCN(C)CC1 ZINC001575119581 951988785 /nfs/dbraw/zinc/98/87/85/951988785.db2.gz YBJCJGRGIXIWSX-NSHDSACASA-N 1 0 380.294 1.677 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1csc(Cl)n1 ZINC001575119596 951989202 /nfs/dbraw/zinc/98/92/02/951989202.db2.gz YHSAKKVOXXPHOX-MRVPVSSYSA-N 1 0 380.865 1.460 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575145651 952188784 /nfs/dbraw/zinc/18/87/84/952188784.db2.gz CDBWEYCQNNCWPG-GFCCVEGCSA-N 1 0 383.460 1.208 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575146275 952193268 /nfs/dbraw/zinc/19/32/68/952193268.db2.gz JROGZAVKJGIRKD-NSHDSACASA-N 1 0 382.428 1.051 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575146836 952197695 /nfs/dbraw/zinc/19/76/95/952197695.db2.gz OPWSMJYUKWRLNE-AEGPPILISA-N 1 0 378.440 1.141 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575147741 952200937 /nfs/dbraw/zinc/20/09/37/952200937.db2.gz VHSSQRFEZLAYKE-LBPRGKRZSA-N 1 0 379.424 1.191 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575164185 952288074 /nfs/dbraw/zinc/28/80/74/952288074.db2.gz BWBVBZMSGWYBPO-QWRGUYRKSA-N 1 0 378.868 1.126 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575165398 952307793 /nfs/dbraw/zinc/30/77/93/952307793.db2.gz SHYRSFGOMLCBJO-XQQFMLRXSA-N 1 0 390.467 1.390 20 0 GDADRO C[C@@H](CNc1nc(Cl)c(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575165594 952311831 /nfs/dbraw/zinc/31/18/31/952311831.db2.gz PYIOQFGEORFLAF-DTWKUNHWSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001575166783 952330379 /nfs/dbraw/zinc/33/03/79/952330379.db2.gz ZANIOBPPXBBGIP-NSHDSACASA-N 1 0 392.895 1.516 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575195931 952474759 /nfs/dbraw/zinc/47/47/59/952474759.db2.gz DJWLLAMNEMVRGK-KGLIPLIRSA-N 1 0 381.440 1.558 20 0 GDADRO O=C(c1ccncc1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001571117170 952481107 /nfs/dbraw/zinc/48/11/07/952481107.db2.gz HTXKDURMALQVAH-HDICACEKSA-N 1 0 375.436 1.466 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575197274 952481917 /nfs/dbraw/zinc/48/19/17/952481917.db2.gz RNBCVEOGPOMSJD-IHRRRGAJSA-N 1 0 381.440 1.462 20 0 GDADRO O=C([C@H]1C[C@@H]1c1ccccc1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571117981 952485438 /nfs/dbraw/zinc/48/54/38/952485438.db2.gz RPWGYARBQFIBGA-OAGGEKHMSA-N 1 0 375.436 1.500 20 0 GDADRO O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccc2c1CCC2 ZINC001571118649 952489826 /nfs/dbraw/zinc/48/98/26/952489826.db2.gz YBJRWOQUYZCVRK-OKILXGFUSA-N 1 0 375.436 1.545 20 0 GDADRO O=C(CC1CC(F)(F)C1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571120124 952498618 /nfs/dbraw/zinc/49/86/18/952498618.db2.gz JMZCJCUMSXDQOS-OAHLLOKOSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575201978 952508906 /nfs/dbraw/zinc/50/89/06/952508906.db2.gz KJVCEGWOWYRJAR-IHRRRGAJSA-N 1 0 381.440 1.462 20 0 GDADRO CO[C@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571121672 952520807 /nfs/dbraw/zinc/52/08/07/952520807.db2.gz BKAYZWKDICXXDI-OCCSQVGLSA-N 1 0 376.436 1.511 20 0 GDADRO CO[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001571121909 952522548 /nfs/dbraw/zinc/52/25/48/952522548.db2.gz DSPYYBBNFGYRKL-UPJWGTAASA-N 1 0 376.486 1.528 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571122844 952527620 /nfs/dbraw/zinc/52/76/20/952527620.db2.gz MMHVABHFXHTKFW-CZUORRHYSA-N 1 0 376.436 1.511 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](F)C(C)C)C2)cc1-c1nn[nH]n1 ZINC001571123411 952530290 /nfs/dbraw/zinc/53/02/90/952530290.db2.gz RNASIROPVCMCGH-BBRMVZONSA-N 1 0 376.436 1.560 20 0 GDADRO CC(F)(F)C(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC001575207922 952536018 /nfs/dbraw/zinc/53/60/18/952536018.db2.gz WBXPCGVKSNRYOY-ZDUSSCGKSA-N 1 0 382.390 1.988 20 0 GDADRO Cc1cc(N(C)[C@@H]2CCN(C(=O)C3CC(F)(F)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124687 952542604 /nfs/dbraw/zinc/54/26/04/952542604.db2.gz REIBBWIHUNIJPK-GFCCVEGCSA-N 1 0 377.399 1.653 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)ccn1 ZINC001571127066 952549247 /nfs/dbraw/zinc/54/92/47/952549247.db2.gz FABMXNRDCFFFKH-OAHLLOKOSA-N 1 0 377.452 1.822 20 0 GDADRO CC(F)(F)C(=O)NC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCCO1 ZINC001575211670 952549903 /nfs/dbraw/zinc/54/99/03/952549903.db2.gz YBFYHSNTAWNRBM-AWEZNQCLSA-N 1 0 380.399 1.229 20 0 GDADRO C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1C[NH+](C/C=C/c2ccccc2)C1 ZINC001571128476 952567450 /nfs/dbraw/zinc/56/74/50/952567450.db2.gz UHASCVRSFYSWIC-LHRNQBEKSA-N 1 0 377.452 1.958 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCN1C(=O)c1ccccn1 ZINC001571128855 952571006 /nfs/dbraw/zinc/57/10/06/952571006.db2.gz XEGRMJNXQVCUPP-KRWDZBQOSA-N 1 0 377.452 1.998 20 0 GDADRO Cc1cccnc1C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571134140 952586142 /nfs/dbraw/zinc/58/61/42/952586142.db2.gz FDNSLJJBTHCXBG-AWEZNQCLSA-N 1 0 378.440 1.494 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571134342 952589271 /nfs/dbraw/zinc/58/92/71/952589271.db2.gz DLFZCUNCNBIXAK-CJNGLKHVSA-N 1 0 378.440 1.440 20 0 GDADRO CC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN(C(=O)c2ccnnc2)CC1 ZINC001571134623 952592988 /nfs/dbraw/zinc/59/29/88/952592988.db2.gz IPWWLOBWBSJDHC-UHFFFAOYSA-N 1 0 378.440 1.441 20 0 GDADRO C[C@H]1CN(C(=O)c2ncccn2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571134764 952594959 /nfs/dbraw/zinc/59/49/59/952594959.db2.gz LHYFYPMEITVNOF-BBRMVZONSA-N 1 0 378.440 1.297 20 0 GDADRO CCc1ncncc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571134896 952597858 /nfs/dbraw/zinc/59/78/58/952597858.db2.gz MXKUEAIYXGYJBX-OAHLLOKOSA-N 1 0 378.440 1.223 20 0 GDADRO Cc1cc(N2CCC[C@H](CNC(=O)c3ccccn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134975 952598387 /nfs/dbraw/zinc/59/83/87/952598387.db2.gz OECGBGXBBCRICE-CQSZACIVSA-N 1 0 378.440 1.612 20 0 GDADRO CC1(C)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC001571139408 952620537 /nfs/dbraw/zinc/62/05/37/952620537.db2.gz HDRNQDYLGPDKSL-ZDUSSCGKSA-N 1 0 379.415 1.680 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1)c1ccncn1 ZINC001571141935 952637327 /nfs/dbraw/zinc/63/73/27/952637327.db2.gz KYSBKIQOUDTSOH-INIZCTEOSA-N 1 0 378.440 1.441 20 0 GDADRO O=C(COc1ccccc1)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571142415 952642044 /nfs/dbraw/zinc/64/20/44/952642044.db2.gz UVBBJKQGTKLTEF-AWEZNQCLSA-N 1 0 379.424 1.023 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnc2n1CCC2 ZINC001571142709 952644969 /nfs/dbraw/zinc/64/49/69/952644969.db2.gz WBWYJMSOFFPJLC-OAHLLOKOSA-N 1 0 378.440 1.014 20 0 GDADRO O=C(c1c[nH]cc1C1CC1)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571142730 952645748 /nfs/dbraw/zinc/64/57/48/952645748.db2.gz WVYNHWYTDUZPEY-ZDUSSCGKSA-N 1 0 378.440 1.606 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC001571151214 952673213 /nfs/dbraw/zinc/67/32/13/952673213.db2.gz NHFNDDRNPQQZHK-RHSMWYFYSA-N 1 0 379.468 1.846 20 0 GDADRO O=C(NC1(C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1)c1cocn1 ZINC001571160098 952723956 /nfs/dbraw/zinc/72/39/56/952723956.db2.gz DORZRWSCVKKGER-UHFFFAOYSA-N 1 0 380.412 1.429 20 0 GDADRO Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001571160744 952727096 /nfs/dbraw/zinc/72/70/96/952727096.db2.gz LGQMFJGXUFCJNQ-ZIAGYGMSSA-N 1 0 380.412 1.133 20 0 GDADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571167249 952772202 /nfs/dbraw/zinc/77/22/02/952772202.db2.gz ZTSMVTHUXWAVAM-UONOGXRCSA-N 1 0 380.449 1.004 20 0 GDADRO Cc1c[nH]nc1C(=O)NC1(C)CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571169776 952778513 /nfs/dbraw/zinc/77/85/13/952778513.db2.gz NBMZNNIFIBXMTQ-UHFFFAOYSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c(C)n1 ZINC001571170561 952787352 /nfs/dbraw/zinc/78/73/52/952787352.db2.gz WNVREJKZLOHKMT-HNNXBMFYSA-N 1 0 380.456 1.601 20 0 GDADRO CCn1cnc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)c1 ZINC001571170913 952790727 /nfs/dbraw/zinc/79/07/27/952790727.db2.gz ZHFMJHXJFDRKTA-HNNXBMFYSA-N 1 0 380.456 1.430 20 0 GDADRO O=C(Cn1cccn1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571171526 952793954 /nfs/dbraw/zinc/79/39/54/952793954.db2.gz BMLMQDNYBOYIMZ-KRWDZBQOSA-N 1 0 380.456 1.234 20 0 GDADRO Cc1ncn(C)c1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171727 952797346 /nfs/dbraw/zinc/79/73/46/952797346.db2.gz FGWLXPSMCKKKDZ-HNNXBMFYSA-N 1 0 380.456 1.161 20 0 GDADRO Cc1nn(C)cc1C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571171912 952799618 /nfs/dbraw/zinc/79/96/18/952799618.db2.gz IHYAESLJDOOYEL-BLLLJJGKSA-N 1 0 380.456 1.301 20 0 GDADRO C[C@H]1CN(C(=O)c2ccccc2F)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571178199 952835428 /nfs/dbraw/zinc/83/54/28/952835428.db2.gz AYGHWVHBIJDADY-STQMWFEESA-N 1 0 381.415 1.643 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)[C@H](F)c3ccccc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571178828 952847448 /nfs/dbraw/zinc/84/74/48/952847448.db2.gz VXDZLEKEHYVUAY-WMLDXEAASA-N 1 0 381.415 1.716 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccccn2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571178871 952849860 /nfs/dbraw/zinc/84/98/60/952849860.db2.gz WWBWIDJAPASZMN-PXAZEXFGSA-N 1 0 381.415 1.651 20 0 GDADRO Cc1nc(C)c(C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC001571181439 952864402 /nfs/dbraw/zinc/86/44/02/952864402.db2.gz XGERCETYUUUILM-UHFFFAOYSA-N 1 0 381.440 1.770 20 0 GDADRO Cc1cnoc1C(=O)N1CCC([N@H+](C)Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571181387 952864564 /nfs/dbraw/zinc/86/45/64/952864564.db2.gz VWSICAHVXKJURD-UHFFFAOYSA-N 1 0 381.440 1.900 20 0 GDADRO Cc1cc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)on1 ZINC001571181945 952866584 /nfs/dbraw/zinc/86/65/84/952866584.db2.gz ZXTHGEQGLNFWDC-HNNXBMFYSA-N 1 0 381.440 1.948 20 0 GDADRO CCc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571182997 952871757 /nfs/dbraw/zinc/87/17/57/952871757.db2.gz LRWCLWWWCDXKHZ-CQSZACIVSA-N 1 0 381.440 1.730 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cnco2)[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571183148 952874776 /nfs/dbraw/zinc/87/47/76/952874776.db2.gz QASUFEXXHBJQOO-CJNGLKHVSA-N 1 0 381.440 1.885 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571183165 952874788 /nfs/dbraw/zinc/87/47/88/952874788.db2.gz QUGNFBQRDWOZRL-DYVFJYSZSA-N 1 0 381.440 1.885 20 0 GDADRO COc1cccc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C)c1 ZINC001571183343 952876502 /nfs/dbraw/zinc/87/65/02/952876502.db2.gz XSRYBLFSXCKEOV-SJCJKPOMSA-N 1 0 381.440 1.454 20 0 GDADRO Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c1C ZINC001571186316 952906705 /nfs/dbraw/zinc/90/67/05/952906705.db2.gz WJFWOVFVXBHNOD-CYBMUJFWSA-N 1 0 381.444 1.130 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)[C@@H](C)n3cccn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571187622 952909204 /nfs/dbraw/zinc/90/92/04/952909204.db2.gz AAJAOGDNJRKMIT-KGLIPLIRSA-N 1 0 381.444 1.113 20 0 GDADRO Cc1cc(N2CC[C@@H]3CN(C(=O)[C@H]4CC4(C)C)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571192168 952947784 /nfs/dbraw/zinc/94/77/84/952947784.db2.gz SJCOKHRLSQGJQE-IJEWVQPXSA-N 1 0 381.484 1.901 20 0 GDADRO CCc1nc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C)co1 ZINC001571198770 952994001 /nfs/dbraw/zinc/99/40/01/952994001.db2.gz GBGURBJUGCWBJE-ZWNOBZJWSA-N 1 0 382.428 1.375 20 0 GDADRO CCc1nc(C(=O)N(C)C2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571199021 952994799 /nfs/dbraw/zinc/99/47/99/952994799.db2.gz JZJZMIRVWTZFIL-UHFFFAOYSA-N 1 0 382.428 1.258 20 0 GDADRO CCc1ncoc1C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571199128 952996451 /nfs/dbraw/zinc/99/64/51/952996451.db2.gz MDCNPEGYTNFAMK-LBPRGKRZSA-N 1 0 382.428 1.259 20 0 GDADRO CCc1oncc1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001571199165 952997044 /nfs/dbraw/zinc/99/70/44/952997044.db2.gz MRHXVNQFTOAYGV-RISCZKNCSA-N 1 0 382.428 1.518 20 0 GDADRO Cc1conc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC001571201676 953020132 /nfs/dbraw/zinc/02/01/32/953020132.db2.gz MVIQDQGDIXJCSU-WBMJQRKESA-N 1 0 382.428 1.228 20 0 GDADRO COc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)o1 ZINC001571202042 953021748 /nfs/dbraw/zinc/02/17/48/953021748.db2.gz USHZAFNWOLTHRG-MQMHXKEQSA-N 1 0 382.424 1.767 20 0 GDADRO Cc1cc(NCC[C@H]2CCCN(C(=O)c3cocn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571201979 953021794 /nfs/dbraw/zinc/02/17/94/953021794.db2.gz PSYNIRSQBJSCQI-CYBMUJFWSA-N 1 0 382.428 1.334 20 0 GDADRO O=C(c1ccnnc1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571202046 953021886 /nfs/dbraw/zinc/02/18/86/953021886.db2.gz UUSWYDWYTRYBOJ-HNNXBMFYSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1nocc1C(=O)N1CCC[C@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202770 953028927 /nfs/dbraw/zinc/02/89/27/953028927.db2.gz YIMIKRNTSIOXMN-ZDUSSCGKSA-N 1 0 382.428 1.608 20 0 GDADRO Cc1noc(C)c1C(=O)N1CC[C@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571207072 953058958 /nfs/dbraw/zinc/05/89/58/953058958.db2.gz VRYRDHSNBFGOSF-GWCFXTLKSA-N 1 0 382.428 1.251 20 0 GDADRO C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571209810 953067845 /nfs/dbraw/zinc/06/78/45/953067845.db2.gz FOLMHCJNHAHEHW-VIBAHUMZSA-N 1 0 382.468 1.467 20 0 GDADRO O=C(C1=CCOCC1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571209882 953068454 /nfs/dbraw/zinc/06/84/54/953068454.db2.gz HOLZDGXMAAYPLB-SFHVURJKSA-N 1 0 382.468 1.684 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@]12C[C@H]1COC2 ZINC001571210554 953072200 /nfs/dbraw/zinc/07/22/00/953072200.db2.gz SDAHWTNFEIFDMX-FTRWYGJKSA-N 1 0 382.468 1.374 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571210787 953074193 /nfs/dbraw/zinc/07/41/93/953074193.db2.gz XEBQLAUPWSJYIS-QKLQHJQFSA-N 1 0 382.468 1.516 20 0 GDADRO C[C@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571212104 953084149 /nfs/dbraw/zinc/08/41/49/953084149.db2.gz IYKVYJQFYDURFN-KBPBESRZSA-N 1 0 382.472 1.006 20 0 GDADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001571217665 953110337 /nfs/dbraw/zinc/11/03/37/953110337.db2.gz HOQGUZXCGPYGFP-LLVKDONJSA-N 1 0 382.877 1.379 20 0 GDADRO O=C(N1CCC[C@@H](CNc2ncccc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001571219047 953122331 /nfs/dbraw/zinc/12/23/31/953122331.db2.gz SXBLKMQIUMAJBB-AWEZNQCLSA-N 1 0 382.472 1.008 20 0 GDADRO COc1nc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571219335 953125054 /nfs/dbraw/zinc/12/50/54/953125054.db2.gz NUXAMZLXLHXCQZ-RISCZKNCSA-N 1 0 383.412 1.114 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571229395 953169208 /nfs/dbraw/zinc/16/92/08/953169208.db2.gz DJNWGRYUPCCYJW-IUODEOHRSA-N 1 0 383.431 1.832 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571229466 953169974 /nfs/dbraw/zinc/16/99/74/953169974.db2.gz FWABCPHQJAAXOQ-SJKOYZFVSA-N 1 0 383.431 1.595 20 0 GDADRO C[C@](O)(C[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)c1ccc(F)cc1 ZINC001571230105 953173710 /nfs/dbraw/zinc/17/37/10/953173710.db2.gz RVLADTCATXJPHN-IBGZPJMESA-N 1 0 383.431 1.431 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)Cc1ccco1 ZINC001571238774 953232458 /nfs/dbraw/zinc/23/24/58/953232458.db2.gz AGNFABHVHUUQKJ-IUODEOHRSA-N 1 0 384.415 1.921 20 0 GDADRO Cc1c[nH]c(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)n1 ZINC001571239179 953236307 /nfs/dbraw/zinc/23/63/07/953236307.db2.gz HIVZOPCXNWJMRN-CQSZACIVSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1c[nH]c(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001571239217 953237556 /nfs/dbraw/zinc/23/75/56/953237556.db2.gz HVUMXRMDXFYPHU-AWEZNQCLSA-N 1 0 384.419 1.432 20 0 GDADRO C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C[NH2+]Cc1cncc(F)c1 ZINC001571239944 953245064 /nfs/dbraw/zinc/24/50/64/953245064.db2.gz VFKOSFXGSNFBMV-RISCZKNCSA-N 1 0 384.419 1.227 20 0 GDADRO CC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1[NH2+]Cc1ncc(C)o1 ZINC001571243162 953263425 /nfs/dbraw/zinc/26/34/25/953263425.db2.gz XQUIVCGMZDVVSQ-JSGCOSHPSA-N 1 0 384.444 1.522 20 0 GDADRO Cc1nc(C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)sc1C ZINC001571244737 953266830 /nfs/dbraw/zinc/26/68/30/953266830.db2.gz GYHPMMZQAYOJRP-LBPRGKRZSA-N 1 0 384.469 1.591 20 0 GDADRO Cc1cc(C(=O)N2CCC(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)ns1 ZINC001571245256 953271536 /nfs/dbraw/zinc/27/15/36/953271536.db2.gz QPYGMHFHEKYVJQ-UHFFFAOYSA-N 1 0 384.469 1.413 20 0 GDADRO CCOC1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)C1 ZINC001571247617 953284766 /nfs/dbraw/zinc/28/47/66/953284766.db2.gz BASKRFVQPSRLHM-HELAGCTPSA-N 1 0 384.484 1.618 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571248006 953289165 /nfs/dbraw/zinc/28/91/65/953289165.db2.gz LDIJIXBQEMWARI-KURKYZTESA-N 1 0 384.484 1.762 20 0 GDADRO CO[C@@H](C)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571248350 953292929 /nfs/dbraw/zinc/29/29/29/953292929.db2.gz RBUGFFUIADGKLR-YWZLYKJASA-N 1 0 384.484 1.716 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248493 953294183 /nfs/dbraw/zinc/29/41/83/953294183.db2.gz VNLVMJYRHKRDTM-UWIFEVILSA-N 1 0 384.484 1.666 20 0 GDADRO Cc1ncc(C(=O)N2CCC(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)s1 ZINC001571248682 953296498 /nfs/dbraw/zinc/29/64/98/953296498.db2.gz XMNQNPLPQKGROT-UHFFFAOYSA-N 1 0 384.469 1.413 20 0 GDADRO Cc1cc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)on1 ZINC001571248821 953298111 /nfs/dbraw/zinc/29/81/11/953298111.db2.gz JLYPIDOPSDGKTI-OLZOCXBDSA-N 1 0 384.444 1.522 20 0 GDADRO O=C(CC1CCCC1)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001571249036 953300046 /nfs/dbraw/zinc/30/00/46/953300046.db2.gz BOIISXHORCHMLY-ZWKOTPCHSA-N 1 0 384.484 1.498 20 0 GDADRO O=C(NCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@@H]1CCCOC1 ZINC001571249269 953302800 /nfs/dbraw/zinc/30/28/00/953302800.db2.gz HBWFTKLZKOUJGL-GOSISDBHSA-N 1 0 384.484 1.622 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571249278 953303806 /nfs/dbraw/zinc/30/38/06/953303806.db2.gz HIRNEUAUGKERNC-RHSMWYFYSA-N 1 0 384.488 1.221 20 0 GDADRO O=C(C1CCCC1)N1CCCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571249697 953306572 /nfs/dbraw/zinc/30/65/72/953306572.db2.gz KMBJNJSVKHXPOG-GOSISDBHSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571249899 953307717 /nfs/dbraw/zinc/30/77/17/953307717.db2.gz MHTIBUMDBYRAMI-GOEBONIOSA-N 1 0 384.488 1.397 20 0 GDADRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001571250788 953312512 /nfs/dbraw/zinc/31/25/12/953312512.db2.gz SIAOFAOSAYMLCG-ZVZYQTTQSA-N 1 0 384.484 1.810 20 0 GDADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@@H]3C)CC2)cc1-c1nn[nH]n1 ZINC001571250862 953313054 /nfs/dbraw/zinc/31/30/54/953313054.db2.gz ULPXCFBUVPCAMA-BBRMVZONSA-N 1 0 384.484 1.860 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CCNc1ncccc1-c1nn[nH]n1 ZINC001571251945 953321788 /nfs/dbraw/zinc/32/17/88/953321788.db2.gz CJRBLBIWUWMCFD-IIAWOOMASA-N 1 0 384.488 1.252 20 0 GDADRO C[NH+]1CCC(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001571252458 953328735 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1 0 385.403 1.778 20 0 GDADRO Cc1nocc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571256140 953363650 /nfs/dbraw/zinc/36/36/50/953363650.db2.gz YZWFBTWJLSXGRS-QLJPJBMISA-N 1 0 385.403 1.553 20 0 GDADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000874398146 956152572 /nfs/dbraw/zinc/15/25/72/956152572.db2.gz NTZSHOKMAANFTE-IBGZPJMESA-N 1 0 390.528 1.991 20 0 GDADRO C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000391954128 972394877 /nfs/dbraw/zinc/39/48/77/972394877.db2.gz DLXWFPIGAOVHOW-UHFFFAOYSA-N 1 0 375.516 1.093 20 0 GDADRO C[N@H+](Cc1ccccc1)C1(CNC2CC[NH+](CC(=O)[O-])CC2)CCOCC1 ZINC001334779041 961825512 /nfs/dbraw/zinc/82/55/12/961825512.db2.gz ZRWRRTDMQYKQKX-UHFFFAOYSA-N 1 0 375.513 1.806 20 0 GDADRO C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001592268915 977525857 /nfs/dbraw/zinc/52/58/57/977525857.db2.gz OISJBQJDCYWERF-PBHICJAKSA-N 1 0 375.469 1.850 20 0 GDADRO C[C@H](CCNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)[NH+](C)Cc1ccccc1 ZINC001592513435 978346687 /nfs/dbraw/zinc/34/66/87/978346687.db2.gz PSEUMWDLPOIAOR-AEFFLSMTSA-N 1 0 376.501 1.555 20 0 GDADRO C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1)[N@H+](C)Cc1ccccc1 ZINC001592659417 978641212 /nfs/dbraw/zinc/64/12/12/978641212.db2.gz COIGADRYPBIHSC-MRXNPFEDSA-N 1 0 376.501 1.697 20 0 GDADRO C[C@@H](CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC001592659901 978642605 /nfs/dbraw/zinc/64/26/05/978642605.db2.gz IZEMIKOWNOQUNN-IRXDYDNUSA-N 1 0 388.512 1.624 20 0 GDADRO C[N@@H+]1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C[C@@H](C(=O)[O-])C1 ZINC001598607130 993684128 /nfs/dbraw/zinc/68/41/28/993684128.db2.gz NPUXVSCFAURUBB-RBUKOAKNSA-N 1 0 388.512 1.871 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC001594010864 997450533 /nfs/dbraw/zinc/45/05/33/997450533.db2.gz WKZNPWCWLVMQFF-IBGZPJMESA-N 1 0 375.473 1.096 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC001594010865 997451053 /nfs/dbraw/zinc/45/10/53/997451053.db2.gz WKZNPWCWLVMQFF-LJQANCHMSA-N 1 0 375.473 1.096 20 0 GDADRO COC(=O)c1cccc([C@H](C(=O)[O-])[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)c1 ZINC001598995257 998773897 /nfs/dbraw/zinc/77/38/97/998773897.db2.gz GVDZCHFNUVWYRS-GOSISDBHSA-N 1 0 390.480 1.912 20 0 GDADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000466913000 1126094171 /nfs/dbraw/zinc/09/41/71/1126094171.db2.gz DTGCYFBSCQBMGR-MOPGFXCFSA-N 1 0 377.510 1.418 20 0 GDADRO Cc1ncc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)s1 ZINC001502577813 1126206422 /nfs/dbraw/zinc/20/64/22/1126206422.db2.gz NSGFCPCZIXLXSJ-ITQYTPKQSA-N 1 0 379.526 1.710 20 0 GDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCN(C)S(=O)(=O)c2cccs2)C1 ZINC000159133109 530540495 /nfs/dbraw/zinc/54/04/95/530540495.db2.gz HDUXVSGVUWTNHV-AWEZNQCLSA-N 1 0 388.559 1.400 20 0 GDADRO [NH3+]C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CC1 ZINC000159266398 530541682 /nfs/dbraw/zinc/54/16/82/530541682.db2.gz UFAGZOWNTDNFLZ-ZDUSSCGKSA-N 1 0 375.288 1.217 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000161655786 530563321 /nfs/dbraw/zinc/56/33/21/530563321.db2.gz ABUYYNUBJMQRGN-LLVKDONJSA-N 1 0 389.315 1.843 20 0 GDADRO C[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 ZINC000162770034 530570674 /nfs/dbraw/zinc/57/06/74/530570674.db2.gz BZRMPEZGGMLVDC-RRFJBIMHSA-N 1 0 386.539 1.278 20 0 GDADRO Cc1ccc(Br)cc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000022913216 530573330 /nfs/dbraw/zinc/57/33/30/530573330.db2.gz LEMUWKHSJZZXMR-UHFFFAOYSA-N 1 0 376.320 1.283 20 0 GDADRO CC[NH+]1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2Br)CC1 ZINC000022943714 530573582 /nfs/dbraw/zinc/57/35/82/530573582.db2.gz UPVWXHSQPOKIPS-UHFFFAOYSA-N 1 0 397.317 1.484 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)CC1 ZINC000163213925 530574181 /nfs/dbraw/zinc/57/41/81/530574181.db2.gz AGGHVNPICRZBEX-RUZDIDTESA-N 1 0 385.917 1.711 20 0 GDADRO CC[NH+]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000023694513 530576046 /nfs/dbraw/zinc/57/60/46/530576046.db2.gz WBUGKFKXIGPHRM-UHFFFAOYSA-N 1 0 383.290 1.141 20 0 GDADRO O[C@H](CN1CCOCC1)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163937865 530578514 /nfs/dbraw/zinc/57/85/14/530578514.db2.gz HJWQSKUGDZZYHJ-SFHVURJKSA-N 1 0 398.345 1.260 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000165401402 530580950 /nfs/dbraw/zinc/58/09/50/530580950.db2.gz DZGVJXOQYPPVIY-AWEZNQCLSA-N 1 0 394.335 1.106 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000170855691 530590061 /nfs/dbraw/zinc/59/00/61/530590061.db2.gz BXMMOXNMMKNGNV-AWEZNQCLSA-N 1 0 389.315 1.526 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(Br)c2C)CC1 ZINC000171224935 530596286 /nfs/dbraw/zinc/59/62/86/530596286.db2.gz ZPMLYCGVHYIRMG-UHFFFAOYSA-N 1 0 397.317 1.450 20 0 GDADRO COC(=O)c1c2c(sc1NC(=O)CSc1nc(N)cc(N)[nH+]1)CCC2 ZINC000031353561 530602500 /nfs/dbraw/zinc/60/25/00/530602500.db2.gz XLKNAPLLAVROPE-UHFFFAOYSA-N 1 0 379.467 1.709 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171813683 530603654 /nfs/dbraw/zinc/60/36/54/530603654.db2.gz QFPQGCFWSNAZIF-LLVKDONJSA-N 1 0 380.290 1.691 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(S(N)(=O)=O)cn1C)c1ccsc1 ZINC000031985033 530605193 /nfs/dbraw/zinc/60/51/93/530605193.db2.gz ZHCJAZWWDYWLQR-OAHLLOKOSA-N 1 0 384.527 1.547 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000032663822 530608508 /nfs/dbraw/zinc/60/85/08/530608508.db2.gz XXNUMIWDFQUTHN-CQSZACIVSA-N 1 0 387.933 1.999 20 0 GDADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccc(I)c1 ZINC000172303629 530611500 /nfs/dbraw/zinc/61/15/00/530611500.db2.gz KFAUBVPEMYRGCB-UHFFFAOYSA-N 1 0 387.221 1.442 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000041640245 530623424 /nfs/dbraw/zinc/62/34/24/530623424.db2.gz FVFNWKGFWVSSFG-ZDUSSCGKSA-N 1 0 397.317 1.530 20 0 GDADRO CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)[C@H](C)C1 ZINC000173262288 530626825 /nfs/dbraw/zinc/62/68/25/530626825.db2.gz VTTNSYLXSDYERJ-GDBMZVCRSA-N 1 0 388.555 1.749 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000174136877 530643861 /nfs/dbraw/zinc/64/38/61/530643861.db2.gz PKUQKQZUULGIEE-LSDHHAIUSA-N 1 0 385.555 1.844 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)NC)s2)C1 ZINC000173618143 530633498 /nfs/dbraw/zinc/63/34/98/530633498.db2.gz MZWAYAOZBZJHSK-ZDUSSCGKSA-N 1 0 388.559 1.530 20 0 GDADRO C[NH+]1CCC(NC(=O)N2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC000043180132 530634208 /nfs/dbraw/zinc/63/42/08/530634208.db2.gz SWJKXAREHIMIBV-UHFFFAOYSA-N 1 0 382.306 1.770 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000174122446 530643910 /nfs/dbraw/zinc/64/39/10/530643910.db2.gz NZRUPCXTJXHDES-DZGCQCFKSA-N 1 0 387.933 1.950 20 0 GDADRO CC[C@H](O)C[NH+]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000174072164 530643109 /nfs/dbraw/zinc/64/31/09/530643109.db2.gz CTKJNFXPSDDWLV-NSHDSACASA-N 1 0 385.262 1.981 20 0 GDADRO CC1CC[NH+]([C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)c2cccs2)CC1 ZINC000172953729 530620065 /nfs/dbraw/zinc/62/00/65/530620065.db2.gz MKKHCGQCLLYZTC-CQSZACIVSA-N 1 0 387.571 1.965 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)COc2cccc(Br)c2)CC1 ZINC000041362480 530621616 /nfs/dbraw/zinc/62/16/16/530621616.db2.gz XXHZAZJKAKOOQT-UHFFFAOYSA-N 1 0 384.318 1.972 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000176249679 530680220 /nfs/dbraw/zinc/68/02/20/530680220.db2.gz XJTIHOKTTKOLOO-UHFFFAOYSA-N 1 0 377.457 1.137 20 0 GDADRO CN(CC[NH+](C)C)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000176299007 530680768 /nfs/dbraw/zinc/68/07/68/530680768.db2.gz PMQRVHMEOZLUPD-UHFFFAOYSA-N 1 0 385.306 1.772 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1 ZINC000176329000 530681710 /nfs/dbraw/zinc/68/17/10/530681710.db2.gz JXOUPSMHMIWOHH-UHFFFAOYSA-N 1 0 382.511 1.255 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000174189529 530644383 /nfs/dbraw/zinc/64/43/83/530644383.db2.gz XVGXUISRMLHFPW-UHFFFAOYSA-N 1 0 383.290 1.470 20 0 GDADRO C[C@@H](O)CN1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000174296856 530646460 /nfs/dbraw/zinc/64/64/60/530646460.db2.gz XIEWEWCIOBSWBR-GHMZBOCLSA-N 1 0 385.258 1.705 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000174525674 530649685 /nfs/dbraw/zinc/64/96/85/530649685.db2.gz BHSVTHLLKQEHGJ-GFCCVEGCSA-N 1 0 393.962 1.822 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174547300 530650786 /nfs/dbraw/zinc/65/07/86/530650786.db2.gz MMFZKQKVNQBNSS-CABCVRRESA-N 1 0 385.555 1.749 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000174641174 530651564 /nfs/dbraw/zinc/65/15/64/530651564.db2.gz DTRAZBJBDCHJDK-UHFFFAOYSA-N 1 0 375.922 1.809 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)CC1=O ZINC000174725884 530652832 /nfs/dbraw/zinc/65/28/32/530652832.db2.gz JNMUKWJRRHUZGR-YDBLSZJJSA-N 1 0 385.917 1.567 20 0 GDADRO C[NH+]1CCC(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000047063794 530655626 /nfs/dbraw/zinc/65/56/26/530655626.db2.gz DUYNJUVSJKXBAO-UHFFFAOYSA-N 1 0 379.258 1.369 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174906068 530655890 /nfs/dbraw/zinc/65/58/90/530655890.db2.gz YDHAVWUETNHIEL-UHFFFAOYSA-N 1 0 376.226 1.221 20 0 GDADRO CCC[NH+]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 ZINC000047798448 530662456 /nfs/dbraw/zinc/66/24/56/530662456.db2.gz MUVMDAXYOMGFNJ-HNNXBMFYSA-N 1 0 385.555 1.846 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[NH2+]C(C)(C)C3)s2)CC1 ZINC000175442804 530665510 /nfs/dbraw/zinc/66/55/10/530665510.db2.gz QXFSDOBVCZKTJD-UHFFFAOYSA-N 1 0 385.555 1.993 20 0 GDADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000048490702 530668770 /nfs/dbraw/zinc/66/87/70/530668770.db2.gz QYKVEPBHPOPVBO-UHFFFAOYSA-N 1 0 375.210 1.298 20 0 GDADRO CNS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000175803808 530670766 /nfs/dbraw/zinc/67/07/66/530670766.db2.gz IXEZJXPPEDMQDJ-UHFFFAOYSA-N 1 0 381.523 1.860 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000175912890 530672725 /nfs/dbraw/zinc/67/27/25/530672725.db2.gz PSEMFKZKKDPVFT-SWLSCSKDSA-N 1 0 395.301 1.505 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000049278435 530673069 /nfs/dbraw/zinc/67/30/69/530673069.db2.gz DEYHQSDMMCEMPE-UHFFFAOYSA-N 1 0 397.317 1.450 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000176126253 530677745 /nfs/dbraw/zinc/67/77/45/530677745.db2.gz JHRNIIORJSXPKA-CQSZACIVSA-N 1 0 385.486 1.828 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000053267832 530691558 /nfs/dbraw/zinc/69/15/58/530691558.db2.gz CBBOLJHKXPCZOM-UHFFFAOYSA-N 1 0 382.258 1.502 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000176813114 530691765 /nfs/dbraw/zinc/69/17/65/530691765.db2.gz AZCKAAMWSPDZTL-UHFFFAOYSA-N 1 0 388.921 1.156 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000177024140 530696189 /nfs/dbraw/zinc/69/61/89/530696189.db2.gz MQEMYFHDMNTLQE-UHFFFAOYSA-N 1 0 384.274 1.917 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C[N@@H+]1C1CC1 ZINC000177072739 530696529 /nfs/dbraw/zinc/69/65/29/530696529.db2.gz DPBDDLGFNWFEGM-IPYPFGDCSA-N 1 0 383.539 1.643 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177156183 530698317 /nfs/dbraw/zinc/69/83/17/530698317.db2.gz DKSUWJUXBQQZDR-DYEKYZERSA-N 1 0 385.917 1.748 20 0 GDADRO CCNC(=O)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000054394215 530700774 /nfs/dbraw/zinc/70/07/74/530700774.db2.gz ISYWCCZPKDCPOL-UHFFFAOYSA-N 1 0 384.274 1.890 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(Br)c2)CCOCC1)N1CCNC1=O ZINC000055055594 530703934 /nfs/dbraw/zinc/70/39/34/530703934.db2.gz RTZXMGJYNRWEEN-UHFFFAOYSA-N 1 0 382.258 1.596 20 0 GDADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000177566412 530705631 /nfs/dbraw/zinc/70/56/31/530705631.db2.gz APKNLSCHRQFHMH-LBPRGKRZSA-N 1 0 384.933 1.753 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)CN(C)C(=O)c2ccc(Br)o2)C1 ZINC000055377756 530708168 /nfs/dbraw/zinc/70/81/68/530708168.db2.gz LPOPTILJTSLWEM-LBPRGKRZSA-N 1 0 386.290 1.962 20 0 GDADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000055757939 530711546 /nfs/dbraw/zinc/71/15/46/530711546.db2.gz XSUPRDYDZFFICF-RBSFLKMASA-N 1 0 387.571 1.899 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000177856831 530712486 /nfs/dbraw/zinc/71/24/86/530712486.db2.gz ADXIOFLNRUIXBO-LBPRGKRZSA-N 1 0 392.518 1.694 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(Cl)s2)CC1 ZINC000177964646 530713508 /nfs/dbraw/zinc/71/35/08/530713508.db2.gz PUGKKJSNOOCLOA-CQSZACIVSA-N 1 0 384.933 1.892 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000177994372 530714735 /nfs/dbraw/zinc/71/47/35/530714735.db2.gz SGWFVZQQWMNMGS-UHFFFAOYSA-N 1 0 379.448 1.890 20 0 GDADRO NC(=O)c1cccc(CC[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000179221636 530736873 /nfs/dbraw/zinc/73/68/73/530736873.db2.gz DQLRZRTXCJYZRH-HNNXBMFYSA-N 1 0 376.254 1.907 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000179393028 530739814 /nfs/dbraw/zinc/73/98/14/530739814.db2.gz SQZPPKSNGAMFHG-CYBMUJFWSA-N 1 0 388.295 1.638 20 0 GDADRO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000179461070 530742209 /nfs/dbraw/zinc/74/22/09/530742209.db2.gz XJXYWQBUQGKJRM-KGLIPLIRSA-N 1 0 380.432 1.622 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(OC(F)F)c1 ZINC000179576803 530744248 /nfs/dbraw/zinc/74/42/48/530744248.db2.gz PKAFPOHJMMCEIY-NTZNESFSSA-N 1 0 376.425 1.630 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[NH2+]2)ccc1Br ZINC000178729802 530727009 /nfs/dbraw/zinc/72/70/09/530727009.db2.gz KTRVXIFXGQRTTA-LLVKDONJSA-N 1 0 390.303 1.181 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000178741033 530727539 /nfs/dbraw/zinc/72/75/39/530727539.db2.gz LXXOLJUDNOGKBZ-LLVKDONJSA-N 1 0 385.536 1.770 20 0 GDADRO CCCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000057832188 530728930 /nfs/dbraw/zinc/72/89/30/530728930.db2.gz LHJHSSJPVLLDRE-UHFFFAOYSA-N 1 0 387.933 1.905 20 0 GDADRO CCCN(C(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1CC[NH2+]C1 ZINC000178912359 530730725 /nfs/dbraw/zinc/73/07/25/530730725.db2.gz GVRTZLYPOMEAJZ-CYBMUJFWSA-N 1 0 396.285 1.775 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000178997172 530733268 /nfs/dbraw/zinc/73/32/68/530733268.db2.gz LEKTUQKSOXCLSP-NSHDSACASA-N 1 0 386.265 1.776 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000058857958 530733550 /nfs/dbraw/zinc/73/35/50/530733550.db2.gz DQROGCAKDYPCEW-UHFFFAOYSA-N 1 0 388.693 1.949 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1Br ZINC000179059632 530734859 /nfs/dbraw/zinc/73/48/59/530734859.db2.gz KIPXWCZKXVPJDR-LLVKDONJSA-N 1 0 390.303 1.133 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1Br ZINC000179126695 530735446 /nfs/dbraw/zinc/73/54/46/530735446.db2.gz ZPZRMUGHHWVPQZ-NSHDSACASA-N 1 0 390.303 1.133 20 0 GDADRO Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc(Br)c1=O ZINC000179852503 530751900 /nfs/dbraw/zinc/75/19/00/530751900.db2.gz IESPSUDHDYCGCJ-PWSUYJOCSA-N 1 0 399.289 1.075 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000065107399 530752685 /nfs/dbraw/zinc/75/26/85/530752685.db2.gz DYTZUAHTCLBAJZ-UHFFFAOYSA-N 1 0 384.322 1.807 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000063744386 530747411 /nfs/dbraw/zinc/74/74/11/530747411.db2.gz WJUZQLYYOMTUKZ-UHFFFAOYSA-N 1 0 383.543 1.770 20 0 GDADRO Cn1cc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c(=O)n(C)c1=O ZINC000179754792 530749439 /nfs/dbraw/zinc/74/94/39/530749439.db2.gz JGWKIVPTECKMON-LSDHHAIUSA-N 1 0 384.263 1.481 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000066943904 530770364 /nfs/dbraw/zinc/77/03/64/530770364.db2.gz VPVJBPDSZUOGNK-LBPRGKRZSA-N 1 0 379.262 1.587 20 0 GDADRO CC[N@H+](C)CCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000066958482 530770875 /nfs/dbraw/zinc/77/08/75/530770875.db2.gz RVHQKLXVRKYDHB-UHFFFAOYSA-N 1 0 381.274 1.617 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NCCC[NH+]1CCCCCC1 ZINC000067181751 530773936 /nfs/dbraw/zinc/77/39/36/530773936.db2.gz CNEXGSFKYMCDLY-OAHLLOKOSA-N 1 0 379.592 1.430 20 0 GDADRO COc1ccsc1S(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000181472807 530784145 /nfs/dbraw/zinc/78/41/45/530784145.db2.gz CERVGQRFHANVJG-OAHLLOKOSA-N 1 0 382.507 1.802 20 0 GDADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)nc1 ZINC000181473295 530784255 /nfs/dbraw/zinc/78/42/55/530784255.db2.gz JXBBUTMNTIMYDL-HNNXBMFYSA-N 1 0 381.885 1.780 20 0 GDADRO O=S(=O)(CC[NH2+]C1CCN(c2nccs2)CC1)NCc1ccccc1 ZINC000180444754 530766711 /nfs/dbraw/zinc/76/67/11/530766711.db2.gz BUZKBYDBMXZWKD-UHFFFAOYSA-N 1 0 380.539 1.821 20 0 GDADRO CCN(C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000066884332 530768651 /nfs/dbraw/zinc/76/86/51/530768651.db2.gz CATYFSGRNLABKM-INIZCTEOSA-N 1 0 390.933 1.826 20 0 GDADRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)Cn3cc(Br)cn3)C2=O)n(C)n1 ZINC000182355521 530797533 /nfs/dbraw/zinc/79/75/33/530797533.db2.gz ZOGVLYNSAWZXON-GXTWGEPZSA-N 1 0 395.305 1.861 20 0 GDADRO O=C(NCC[NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000182535382 530801499 /nfs/dbraw/zinc/80/14/99/530801499.db2.gz MARPWVZZBBEXAF-CYBMUJFWSA-N 1 0 375.288 1.346 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc1OC ZINC000070447395 530802079 /nfs/dbraw/zinc/80/20/79/530802079.db2.gz UFNBTCABTKPAPU-SNVBAGLBSA-N 1 0 381.292 1.728 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)C2)s1 ZINC000068469843 530788732 /nfs/dbraw/zinc/78/87/32/530788732.db2.gz GCCFLHIHKVEFRC-DZGCQCFKSA-N 1 0 387.571 1.914 20 0 GDADRO Brc1ccccc1-n1nnnc1CN1CC[NH+](CC2CC2)CC1 ZINC000068968988 530793568 /nfs/dbraw/zinc/79/35/68/530793568.db2.gz VGGSMOBTHJUWPZ-UHFFFAOYSA-N 1 0 377.290 1.952 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000184858352 530832027 /nfs/dbraw/zinc/83/20/27/530832027.db2.gz MCXJUOVNPLRRND-GFCCVEGCSA-N 1 0 395.294 1.713 20 0 GDADRO Cn1cnc(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1Cl ZINC000103163768 530833593 /nfs/dbraw/zinc/83/35/93/530833593.db2.gz XNHVQXNHJOUEBF-OAHLLOKOSA-N 1 0 382.917 1.916 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000103492316 530835852 /nfs/dbraw/zinc/83/58/52/530835852.db2.gz LXKAKGUXMGULII-UHFFFAOYSA-N 1 0 386.949 1.504 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1C[C@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185051567 530836113 /nfs/dbraw/zinc/83/61/13/530836113.db2.gz BGCQGWMWKAFDKD-ZDCRXTMVSA-N 1 0 386.315 1.825 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000182939518 530808046 /nfs/dbraw/zinc/80/80/46/530808046.db2.gz WAWZTMNMIZHLET-GFCCVEGCSA-N 1 0 391.331 1.820 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)CC(C)C ZINC000079128453 530808091 /nfs/dbraw/zinc/80/80/91/530808091.db2.gz SZHPAPRRQRJDSL-HOTGVXAUSA-N 1 0 376.567 1.466 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000183048910 530809454 /nfs/dbraw/zinc/80/94/54/530809454.db2.gz HNMICMJJBXPOGK-UHFFFAOYSA-N 1 0 379.452 1.941 20 0 GDADRO C[S@@](=O)C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000183157164 530810024 /nfs/dbraw/zinc/81/00/24/530810024.db2.gz QKLMELYMGJEFKQ-LLJLJFOGSA-N 1 0 381.519 1.833 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)s1 ZINC000183154152 530810146 /nfs/dbraw/zinc/81/01/46/530810146.db2.gz OVUGMMPLAZGRBC-CQSZACIVSA-N 1 0 387.571 1.731 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)c(C)s1 ZINC000183362632 530813778 /nfs/dbraw/zinc/81/37/78/530813778.db2.gz MGCFKPQXRLKZCO-UONOGXRCSA-N 1 0 394.584 1.589 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)c2cnn3cc(Br)cnc23)n1 ZINC000094070145 530815972 /nfs/dbraw/zinc/81/59/72/530815972.db2.gz PFUNNVCVTHUIEL-UHFFFAOYSA-N 1 0 378.234 1.502 20 0 GDADRO C[NH+](C)CC1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CCCC1 ZINC000185085100 530836487 /nfs/dbraw/zinc/83/64/87/530836487.db2.gz OMBXTPPZIACSLD-UHFFFAOYSA-N 1 0 393.962 1.918 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)c1nc2ncc(Br)cn2n1)c1ccccc1 ZINC000097272245 530820530 /nfs/dbraw/zinc/82/05/30/530820530.db2.gz GILVXBQTWRITTB-ZDUSSCGKSA-N 1 0 389.257 1.920 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000183921409 530822190 /nfs/dbraw/zinc/82/21/90/530822190.db2.gz DHZYLCJMBMEOOA-SNVBAGLBSA-N 1 0 392.319 1.059 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1c(C)cccc1I ZINC000183976647 530823011 /nfs/dbraw/zinc/82/30/11/530823011.db2.gz SYWITSMZISZAQD-UHFFFAOYSA-N 1 0 376.238 1.644 20 0 GDADRO COCCCNC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000101546001 530824117 /nfs/dbraw/zinc/82/41/17/530824117.db2.gz PJWIEHAAGXSLPC-UHFFFAOYSA-N 1 0 386.290 1.862 20 0 GDADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000184095658 530824664 /nfs/dbraw/zinc/82/46/64/530824664.db2.gz LWPLFJOJMVPHHB-UHFFFAOYSA-N 1 0 388.964 1.671 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000106895187 530850907 /nfs/dbraw/zinc/85/09/07/530850907.db2.gz FESWTRMSAJNFGM-LBPRGKRZSA-N 1 0 381.420 1.499 20 0 GDADRO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000186128517 530851783 /nfs/dbraw/zinc/85/17/83/530851783.db2.gz DUPWCPCWKNJADC-GXFFZTMASA-N 1 0 381.420 1.362 20 0 GDADRO Cc1c(C(=O)NCC2=CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000186346083 530855870 /nfs/dbraw/zinc/85/58/70/530855870.db2.gz GBLWSAWAQGOKAE-UHFFFAOYSA-N 1 0 376.258 1.988 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C12CCOCC2 ZINC000186425316 530856251 /nfs/dbraw/zinc/85/62/51/530856251.db2.gz RMORZTZYXFUTOV-LSDHHAIUSA-N 1 0 388.555 1.932 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000108569822 530858354 /nfs/dbraw/zinc/85/83/54/530858354.db2.gz DMHWHNHOQZWTNY-ZDUSSCGKSA-N 1 0 397.317 1.820 20 0 GDADRO NC(=O)c1csc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c1 ZINC000187557031 530874792 /nfs/dbraw/zinc/87/47/92/530874792.db2.gz CHQVEFQVBJFDBK-UHFFFAOYSA-N 1 0 383.470 1.816 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000186768490 530861423 /nfs/dbraw/zinc/86/14/23/530861423.db2.gz YDDIEMQTOJZZJE-SKDRFNHKSA-N 1 0 375.288 1.580 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000186768522 530861730 /nfs/dbraw/zinc/86/17/30/530861730.db2.gz YDDIEMQTOJZZJE-BXKDBHETSA-N 1 0 375.288 1.580 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000109848330 530864481 /nfs/dbraw/zinc/86/44/81/530864481.db2.gz QYUUHHONVIWTDN-QWHCGFSZSA-N 1 0 380.286 1.870 20 0 GDADRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000186995243 530865855 /nfs/dbraw/zinc/86/58/55/530865855.db2.gz GQKNFMVPKHOUBF-AWEZNQCLSA-N 1 0 385.555 1.844 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000110653396 530868544 /nfs/dbraw/zinc/86/85/44/530868544.db2.gz GWZUYIXDMFRTAH-CYBMUJFWSA-N 1 0 389.315 1.432 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000110654183 530868941 /nfs/dbraw/zinc/86/89/41/530868941.db2.gz MFHFGMXGJKNHCP-MNOVXSKESA-N 1 0 394.269 1.502 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000187348782 530871078 /nfs/dbraw/zinc/87/10/78/530871078.db2.gz JFLZKAVOURYDIE-CYBMUJFWSA-N 1 0 388.306 1.830 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000187455556 530872746 /nfs/dbraw/zinc/87/27/46/530872746.db2.gz WKMYGHPPLHVPPD-OAHLLOKOSA-N 1 0 383.286 1.602 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000111402357 530875388 /nfs/dbraw/zinc/87/53/88/530875388.db2.gz JQABEVMMBNYNCC-WCQYABFASA-N 1 0 378.416 1.734 20 0 GDADRO C[C@H]1CN(C(=O)c2cnn3cc(Br)cnc23)CC[N@@H+]1CC(C)(C)O ZINC000188722730 530899247 /nfs/dbraw/zinc/89/92/47/530899247.db2.gz BKGOWYLZYIFTLL-NSHDSACASA-N 1 0 396.289 1.409 20 0 GDADRO CC1CCC([NH+]2CCN(C(=O)CNS(=O)(=O)c3cccs3)CC2)CC1 ZINC000115480982 530900693 /nfs/dbraw/zinc/90/06/93/530900693.db2.gz HLZDXEFCRUEOGG-UHFFFAOYSA-N 1 0 385.555 1.749 20 0 GDADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCOCC(F)(F)C(F)(F)F ZINC000188803091 530901752 /nfs/dbraw/zinc/90/17/52/530901752.db2.gz WAHJAMIBTMLLQD-NSHDSACASA-N 1 0 382.395 1.994 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000189123477 530908138 /nfs/dbraw/zinc/90/81/38/530908138.db2.gz SXTUARNZSIHUGB-UHFFFAOYSA-N 1 0 390.347 1.506 20 0 GDADRO CC[C@@H](C)CS(=O)(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000113281739 530888622 /nfs/dbraw/zinc/88/86/22/530888622.db2.gz USQQHCVDSUBLLF-OAHLLOKOSA-N 1 0 375.579 1.778 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000188242811 530889397 /nfs/dbraw/zinc/88/93/97/530889397.db2.gz FKTIGTJKWXQAMR-UHFFFAOYSA-N 1 0 386.290 1.595 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)CN1CC[NH+](C)CC1 ZINC000114141245 530892878 /nfs/dbraw/zinc/89/28/78/530892878.db2.gz QNVGTRVZIZUNOF-CYBMUJFWSA-N 1 0 387.933 1.357 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NC2(c3ccc(Br)cc3)CC2)CC1=O ZINC000114176072 530893221 /nfs/dbraw/zinc/89/32/21/530893221.db2.gz MMXASYJDKQNTFH-ZDUSSCGKSA-N 1 0 394.313 1.965 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCc2ccc(Br)cc21)C1CC1 ZINC000118100386 530916428 /nfs/dbraw/zinc/91/64/28/530916428.db2.gz PBWUKVJXAGJRLR-OAHLLOKOSA-N 1 0 380.286 1.795 20 0 GDADRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000118826967 530918839 /nfs/dbraw/zinc/91/88/39/530918839.db2.gz AMHVVZVCTMTKMF-UHFFFAOYSA-N 1 0 375.441 1.649 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(NS(C)(=O)=O)c1 ZINC000119048066 530921909 /nfs/dbraw/zinc/92/19/09/530921909.db2.gz IFNUQVAVHLHNGY-ZWNOBZJWSA-N 1 0 379.404 1.872 20 0 GDADRO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Cl)cc1F ZINC000119143205 530922349 /nfs/dbraw/zinc/92/23/49/530922349.db2.gz KWXNOCZMMWPDSX-LBPRGKRZSA-N 1 0 391.896 1.653 20 0 GDADRO C[C@@H](NC(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1Cl ZINC000121554583 530957722 /nfs/dbraw/zinc/95/77/22/530957722.db2.gz WBTQEERZIYFZGH-CYBMUJFWSA-N 1 0 387.933 1.873 20 0 GDADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121572399 530958756 /nfs/dbraw/zinc/95/87/56/530958756.db2.gz ROQHKFSIMMTLKG-HNNXBMFYSA-N 1 0 376.906 1.436 20 0 GDADRO COC(=O)[C@H](NC1CC[NH+](Cc2ccccc2Br)CC1)[C@@H](C)O ZINC000191016198 530942131 /nfs/dbraw/zinc/94/21/31/530942131.db2.gz UGCSQEHJRDDMMR-MLGOLLRUSA-N 1 0 385.302 1.926 20 0 GDADRO CCS(=O)(=O)N(C)C1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000121239087 530952704 /nfs/dbraw/zinc/95/27/04/530952704.db2.gz FFXHJUCKZIPIFS-OAHLLOKOSA-N 1 0 390.933 1.826 20 0 GDADRO CCN(C1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1)S(C)(=O)=O ZINC000121249383 530953007 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C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000193277383 530982695 /nfs/dbraw/zinc/98/26/95/530982695.db2.gz JPGFRPIPHADJSY-STQMWFEESA-N 1 0 376.906 1.889 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000193301143 530983492 /nfs/dbraw/zinc/98/34/92/530983492.db2.gz WVGWWLZZCNZDEG-LLVKDONJSA-N 1 0 380.286 1.944 20 0 GDADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Br)c(OC)cc2OC)C1 ZINC000193335919 530984634 /nfs/dbraw/zinc/98/46/34/530984634.db2.gz JZZUCJGDVYRLKV-JTQLQIEISA-N 1 0 393.303 1.839 20 0 GDADRO Cc1ccc(Br)c(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000122138689 530967562 /nfs/dbraw/zinc/96/75/62/530967562.db2.gz LPFRZGPONLYODR-UHFFFAOYSA-N 1 0 397.317 1.450 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000122190439 530968597 /nfs/dbraw/zinc/96/85/97/530968597.db2.gz RFPAHPVCRAYOCG-CQSZACIVSA-N 1 0 399.333 1.001 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)C1 ZINC000122308534 530968949 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[NH3+]C[C@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000193430192 530986666 /nfs/dbraw/zinc/98/66/66/530986666.db2.gz IXWQEJOFPGNTGO-IRXDYDNUSA-N 1 0 378.519 1.876 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000193489372 530987752 /nfs/dbraw/zinc/98/77/52/530987752.db2.gz AKDADXPEYWCZNQ-SMDDNHRTSA-N 1 0 389.315 1.621 20 0 GDADRO O=C1OCc2ccc(S(=O)(=O)NCCN3CCc4sccc4C3)cc21 ZINC000193571259 530989251 /nfs/dbraw/zinc/98/92/51/530989251.db2.gz SRATWJGXMCOFCH-UHFFFAOYSA-N 1 0 378.475 1.755 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cn3)CC[C@@H]21 ZINC000193574800 530989795 /nfs/dbraw/zinc/98/97/95/530989795.db2.gz HUITVAYKEDTUNX-AAEUAGOBSA-N 1 0 381.274 1.725 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000125420994 531005679 /nfs/dbraw/zinc/00/56/79/531005679.db2.gz RPEPVPJPVRBRJX-RHSMWYFYSA-N 1 0 399.333 1.640 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000194748044 531009483 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COCC1(CNS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC[NH2+]CC1 ZINC000261953910 531103693 /nfs/dbraw/zinc/10/36/93/531103693.db2.gz GHXWNTOAPQFSEA-UHFFFAOYSA-N 1 0 390.889 1.421 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)s1 ZINC000131317245 531069496 /nfs/dbraw/zinc/06/94/96/531069496.db2.gz JZYLCBLBWGZZAL-AWEZNQCLSA-N 1 0 388.559 1.318 20 0 GDADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000131403855 531071667 /nfs/dbraw/zinc/07/16/67/531071667.db2.gz RPERZOVWCYFBHY-ZDUSSCGKSA-N 1 0 388.559 1.705 20 0 GDADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1C[NH2+]C1 ZINC000262030489 531105450 /nfs/dbraw/zinc/10/54/50/531105450.db2.gz DYOSOBFAJXDGFC-SNVBAGLBSA-N 1 0 377.919 1.090 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CC([NH+](C)C)C2)cc1Br ZINC000134960595 531105665 /nfs/dbraw/zinc/10/56/65/531105665.db2.gz HXRHPBIRFQOBTE-UHFFFAOYSA-N 1 0 390.303 1.085 20 0 GDADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000262047113 531106566 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COc1cc(Br)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000262332597 531116946 /nfs/dbraw/zinc/11/69/46/531116946.db2.gz SQDNKWYLNLSRLR-GXSJLCMTSA-N 1 0 393.303 1.824 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2cccc(Br)c2C)CCC[NH2+]1 ZINC000262388502 531119284 /nfs/dbraw/zinc/11/92/84/531119284.db2.gz YQRGPIHEAIFAPW-AWEZNQCLSA-N 1 0 377.304 1.804 20 0 GDADRO [NH3+]CCCN(Cc1ccccc1)C(=O)Cn1cc(Br)ccc1=O ZINC000262490460 531122084 /nfs/dbraw/zinc/12/20/84/531122084.db2.gz UQKZEKOTUAZZQT-UHFFFAOYSA-N 1 0 378.270 1.988 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000262543912 531123912 /nfs/dbraw/zinc/12/39/12/531123912.db2.gz YHNDPKLLQATBBB-HOCLYGCPSA-N 1 0 385.555 1.263 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262588075 531124894 /nfs/dbraw/zinc/12/48/94/531124894.db2.gz QMDBKFKWGKBYGE-OAHLLOKOSA-N 1 0 387.571 1.530 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000262723468 531127669 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GDADRO COc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000262757022 531129598 /nfs/dbraw/zinc/12/95/98/531129598.db2.gz IFPOSHTZIDKWIG-GFCCVEGCSA-N 1 0 389.905 1.133 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000262757301 531129691 /nfs/dbraw/zinc/12/96/91/531129691.db2.gz PKPMSZBOZOZXJH-GDBMZVCRSA-N 1 0 385.555 1.263 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000262773807 531130009 /nfs/dbraw/zinc/13/00/09/531130009.db2.gz WSDHKBSLAOCTDO-MRXNPFEDSA-N 1 0 389.543 1.123 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)c(Br)c1 ZINC000262776562 531130028 /nfs/dbraw/zinc/13/00/28/531130028.db2.gz XHBXWRSYTPBTHZ-UHFFFAOYSA-N 1 0 391.287 1.656 20 0 GDADRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000262780666 531130625 /nfs/dbraw/zinc/13/06/25/531130625.db2.gz OXIQRBCPJMTESY-UHFFFAOYSA-N 1 0 376.404 1.985 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000262779850 531130639 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O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000151143227 531133471 /nfs/dbraw/zinc/13/34/71/531133471.db2.gz KEFFCHSQRMZLBR-CYBMUJFWSA-N 1 0 386.279 1.656 20 0 GDADRO C[C@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000262912573 531134218 /nfs/dbraw/zinc/13/42/18/531134218.db2.gz QUOZQDJONWAJDV-SMDDNHRTSA-N 1 0 389.315 1.621 20 0 GDADRO O=C(C[C@H]1C[NH2+]CCO1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000151143292 531134431 /nfs/dbraw/zinc/13/44/31/531134431.db2.gz KEFFCHSQRMZLBR-ZDUSSCGKSA-N 1 0 386.279 1.656 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(Br)nc2)C[C@@H](C)O1 ZINC000151464495 531137821 /nfs/dbraw/zinc/13/78/21/531137821.db2.gz DNHBXLVZOLNLNS-VXGBXAGGSA-N 1 0 399.289 1.398 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000152329232 531150052 /nfs/dbraw/zinc/15/00/52/531150052.db2.gz JLILRMNBCWHZFN-MRXNPFEDSA-N 1 0 397.313 1.992 20 0 GDADRO COc1cc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc(I)c1OC ZINC000263701054 531150793 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C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000153472278 531168215 /nfs/dbraw/zinc/16/82/15/531168215.db2.gz IUPGYSMBIFRRCP-GTNSWQLSSA-N 1 0 388.295 1.775 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)NCCCC[NH+]1CCOCC1 ZINC000153591078 531169390 /nfs/dbraw/zinc/16/93/90/531169390.db2.gz JLVJHFRSXWMPNL-UHFFFAOYSA-N 1 0 398.301 1.408 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000153793563 531172353 /nfs/dbraw/zinc/17/23/53/531172353.db2.gz XYWMEHYRIIPUEI-UHFFFAOYSA-N 1 0 394.273 1.774 20 0 GDADRO CN(C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1)S(C)(=O)=O ZINC000264237519 531175317 /nfs/dbraw/zinc/17/53/17/531175317.db2.gz UKACMTULWWOZTF-OAHLLOKOSA-N 1 0 391.331 1.838 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000264257704 531175572 /nfs/dbraw/zinc/17/55/72/531175572.db2.gz ZJLFSYIOKFJALL-WFASDCNBSA-N 1 0 391.331 1.744 20 0 GDADRO C[C@H]1CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C[C@H](C)[NH2+]1 ZINC000154016786 531175848 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CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000155378977 531199987 /nfs/dbraw/zinc/19/99/87/531199987.db2.gz PQYRESFPHFYVRO-UHFFFAOYSA-N 1 0 376.910 1.485 20 0 GDADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000155771224 531202718 /nfs/dbraw/zinc/20/27/18/531202718.db2.gz YSKKDRRGMUOLRD-CYBMUJFWSA-N 1 0 390.303 1.401 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NCC[NH+]2CCC(C)CC2)s1 ZINC000156786914 531205568 /nfs/dbraw/zinc/20/55/68/531205568.db2.gz SFRZUBMHQLXLLU-UHFFFAOYSA-N 1 0 388.559 1.366 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000157384520 531206654 /nfs/dbraw/zinc/20/66/54/531206654.db2.gz SYOQOTOXOLDIDW-NSHDSACASA-N 1 0 379.276 1.115 20 0 GDADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157730175 531207116 /nfs/dbraw/zinc/20/71/16/531207116.db2.gz GWUILSLEDIHRSF-RYUDHWBXSA-N 1 0 383.290 1.971 20 0 GDADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000290100179 531209451 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20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)C[C@H]1[NH3+] ZINC000447257322 531423706 /nfs/dbraw/zinc/42/37/06/531423706.db2.gz PGQSKQRPRGNTKI-PSASIEDQSA-N 1 0 377.260 1.188 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(Br)c2)CC[N@H+](C)C1 ZINC000413924880 531423816 /nfs/dbraw/zinc/42/38/16/531423816.db2.gz TUFNADOOPXQTKA-LBPRGKRZSA-N 1 0 385.258 1.635 20 0 GDADRO NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000484781946 531424315 /nfs/dbraw/zinc/42/43/15/531424315.db2.gz JCBRPMFBYYQBJS-UHFFFAOYSA-N 1 0 387.527 1.019 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413937403 531424918 /nfs/dbraw/zinc/42/49/18/531424918.db2.gz IYSYIYBNVVADKE-OAHLLOKOSA-N 1 0 391.534 1.887 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000293504344 531425657 /nfs/dbraw/zinc/42/56/57/531425657.db2.gz UYMXQXCQOCOATN-ZDUSSCGKSA-N 1 0 383.334 1.881 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000484912395 531427148 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O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NCCNc1cc[nH+]cc1 ZINC000485653981 531438317 /nfs/dbraw/zinc/43/83/17/531438317.db2.gz HKAKXZNYSNEVBG-UHFFFAOYSA-N 1 0 381.885 1.939 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCOc2ccc3c(c2)OCO3)cc1Cl ZINC000414307290 531439156 /nfs/dbraw/zinc/43/91/56/531439156.db2.gz YQCJPWRKPWGKFC-UHFFFAOYSA-N 1 0 384.841 1.885 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cnc2c1Cl ZINC000534306472 531439163 /nfs/dbraw/zinc/43/91/63/531439163.db2.gz GVPBPZPGDKLSIO-ZDUSSCGKSA-N 1 0 383.905 1.940 20 0 GDADRO CC(C)N1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1=O ZINC000414392570 531447832 /nfs/dbraw/zinc/44/78/32/531447832.db2.gz MTIHGOXAVYLXGO-GFCCVEGCSA-N 1 0 390.303 1.195 20 0 GDADRO CC1(C)[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@@H]2CCO[C@@H]21 ZINC000414356705 531443077 /nfs/dbraw/zinc/44/30/77/531443077.db2.gz GJUFKXNQRYWZOH-GDLCADMTSA-N 1 0 389.315 2.000 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c2ncc(Br)cc12)C[NH+]1CCN(C)CC1 ZINC000279582076 531443100 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392.518 1.264 20 0 GDADRO CN(C)c1ncc(C[NH2+]CCNC(=O)c2cccc(Br)c2)n1C ZINC000414399869 531449016 /nfs/dbraw/zinc/44/90/16/531449016.db2.gz YCTWAAYCVJQANW-UHFFFAOYSA-N 1 0 380.290 1.768 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000486406836 531449675 /nfs/dbraw/zinc/44/96/75/531449675.db2.gz NFAJNEYWGPZJBA-ZDUSSCGKSA-N 1 0 398.301 1.841 20 0 GDADRO CC1(C)C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@@H]1O ZINC000279705805 531450011 /nfs/dbraw/zinc/45/00/11/531450011.db2.gz HLLJSXJCRRQFOG-AWEZNQCLSA-N 1 0 387.311 1.740 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293902340 531450145 /nfs/dbraw/zinc/45/01/45/531450145.db2.gz HFBDKWXSJBKYRW-KRWDZBQOSA-N 1 0 385.917 1.806 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000415305740 531473359 /nfs/dbraw/zinc/47/33/59/531473359.db2.gz JKJMTLGJJGMYSA-UHFFFAOYSA-N 1 0 378.256 1.683 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415305876 531473458 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Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449729563 531475284 /nfs/dbraw/zinc/47/52/84/531475284.db2.gz NLBVHDFJRMFUBH-ZDUSSCGKSA-N 1 0 379.404 1.544 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000363180880 531475565 /nfs/dbraw/zinc/47/55/65/531475565.db2.gz NDCWQDYXJIPGGV-CQSZACIVSA-N 1 0 384.889 1.946 20 0 GDADRO CN(C(=O)C(=O)Nc1cc(Br)c(F)cc1F)C1CC[NH2+]CC1 ZINC000415331832 531475646 /nfs/dbraw/zinc/47/56/46/531475646.db2.gz TVJNBRZJXPMUBI-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000415326318 531475690 /nfs/dbraw/zinc/47/56/90/531475690.db2.gz KDGCQYKPAUIBLR-UHFFFAOYSA-N 1 0 378.782 1.319 20 0 GDADRO COC(=O)c1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c[nH]1 ZINC000449765543 531475684 /nfs/dbraw/zinc/47/56/84/531475684.db2.gz IXFZYUAYCOSELO-UHFFFAOYSA-N 1 0 395.257 2.408 20 0 GDADRO CN(C(=O)C(=O)Nc1ccccc1I)C1CC[NH2+]CC1 ZINC000415332073 531475767 /nfs/dbraw/zinc/47/57/67/531475767.db2.gz UJNQBPDQUWMHKZ-UHFFFAOYSA-N 1 0 387.221 1.440 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000415341633 531476556 /nfs/dbraw/zinc/47/65/56/531476556.db2.gz PEUOVCGBYQYMIQ-JTQLQIEISA-N 1 0 387.221 1.358 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415338718 531476835 /nfs/dbraw/zinc/47/68/35/531476835.db2.gz ZRNZIDCKNABVFF-UHFFFAOYSA-N 1 0 389.681 1.062 20 0 GDADRO CN(C)S(=O)(=O)C[C@H](NC(=O)c1ccccc1C[NH+](C)C)C(F)(F)F ZINC000487728999 531477098 /nfs/dbraw/zinc/47/70/98/531477098.db2.gz XRGKKAHXYXUTIX-ZDUSSCGKSA-N 1 0 381.420 1.300 20 0 GDADRO COC(=O)[C@H]1CN(Cc2cnc3ccc(Br)cn23)CC[N@H+](C)C1 ZINC000414479960 531458361 /nfs/dbraw/zinc/45/83/61/531458361.db2.gz AFVMQQGEALWAPA-GFCCVEGCSA-N 1 0 381.274 1.633 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362233261 531458652 /nfs/dbraw/zinc/45/86/52/531458652.db2.gz ACQKYGBUMVFBER-HIFRSBDPSA-N 1 0 385.306 1.792 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)Nc1cnn(-c2ccccc2Br)c1 ZINC000415349906 531477377 /nfs/dbraw/zinc/47/73/77/531477377.db2.gz FBLQMUMICBJROC-UHFFFAOYSA-N 1 0 393.289 1.662 20 0 GDADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc(Br)cc1Br ZINC000414704997 531462817 /nfs/dbraw/zinc/46/28/17/531462817.db2.gz ZQEKSIYLTGTRFM-MRVPVSSYSA-N 1 0 381.068 1.995 20 0 GDADRO [NH3+]CCCN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000414755468 531462915 /nfs/dbraw/zinc/46/29/15/531462915.db2.gz PFONQSGHEYWGGF-UHFFFAOYSA-N 1 0 382.349 1.556 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1 ZINC000414756735 531463360 /nfs/dbraw/zinc/46/33/60/531463360.db2.gz WDWGFKKBCMJKAA-CYBMUJFWSA-N 1 0 378.445 1.820 20 0 GDADRO Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cs1 ZINC000362796062 531464481 /nfs/dbraw/zinc/46/44/81/531464481.db2.gz DRTMJQJEXCMXGU-AWEZNQCLSA-N 1 0 379.507 1.770 20 0 GDADRO CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414931127 531464699 /nfs/dbraw/zinc/46/46/99/531464699.db2.gz QWGZAGXJRIMZTH-PELKAZGASA-N 1 0 379.404 1.331 20 0 GDADRO CS[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCCC2)C[C@H]1[NH+](C)C ZINC000538095102 531465300 /nfs/dbraw/zinc/46/53/00/531465300.db2.gz COXAULCXSPTFDD-HUUCEWRRSA-N 1 0 384.571 1.738 20 0 GDADRO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H](O)c1c(Cl)cccc1Cl ZINC000268009747 531466925 /nfs/dbraw/zinc/46/69/25/531466925.db2.gz JTIYUQXNLHENJW-MKBNYLNASA-N 1 0 389.327 1.960 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000280016032 531467200 /nfs/dbraw/zinc/46/72/00/531467200.db2.gz FDIPGXFYOSTDBM-LBPRGKRZSA-N 1 0 394.317 1.771 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1cc(F)c(F)cc1I ZINC000415237985 531468069 /nfs/dbraw/zinc/46/80/69/531468069.db2.gz KNPAPNBELUANEL-SSDOTTSWSA-N 1 0 397.163 1.679 20 0 GDADRO COC[C@@]1(CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CCC[NH2+]1 ZINC000415203776 531468535 /nfs/dbraw/zinc/46/85/35/531468535.db2.gz TWSZXWMYLVJJLC-HNNXBMFYSA-N 1 0 390.893 1.602 20 0 GDADRO C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)CCn2cc(Br)cn2)cc1 ZINC000415227356 531468542 /nfs/dbraw/zinc/46/85/42/531468542.db2.gz LQRCCVPMPURQGD-UHFFFAOYSA-N 1 0 394.273 1.462 20 0 GDADRO COCC[N@H+](C)CCN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280038238 531468931 /nfs/dbraw/zinc/46/89/31/531468931.db2.gz IQDIVBWZRNAETR-JTQLQIEISA-N 1 0 384.329 1.870 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000538343723 531469035 /nfs/dbraw/zinc/46/90/35/531469035.db2.gz ZPYJHLZFTBPRPZ-UHFFFAOYSA-N 1 0 391.269 1.537 20 0 GDADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000449406865 531470838 /nfs/dbraw/zinc/47/08/38/531470838.db2.gz DCIQFSMMOHFJBR-YGRLFVJLSA-N 1 0 380.279 1.658 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000415349726 531477732 /nfs/dbraw/zinc/47/77/32/531477732.db2.gz DNTHGYASPHMVHM-SNVBAGLBSA-N 1 0 387.221 1.345 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000268133143 531477718 /nfs/dbraw/zinc/47/77/18/531477718.db2.gz CURDZPQLMLKMHR-QMTHXVAHSA-N 1 0 396.285 1.995 20 0 GDADRO CCN1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1=O ZINC000449516140 531472113 /nfs/dbraw/zinc/47/21/13/531472113.db2.gz DVJQIVMGPKRXKR-OAHLLOKOSA-N 1 0 382.302 1.996 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)C1 ZINC000415297054 531472520 /nfs/dbraw/zinc/47/25/20/531472520.db2.gz JLKGEXLQBCLUPL-ZDUSSCGKSA-N 1 0 383.290 1.270 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cccc(I)c2)CC1 ZINC000415302234 531472926 /nfs/dbraw/zinc/47/29/26/531472926.db2.gz BSYKCXXZRQBCSP-UHFFFAOYSA-N 1 0 387.221 1.427 20 0 GDADRO CN1CCN([C@H](C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c2cccs2)CC1 ZINC000540403317 531473106 /nfs/dbraw/zinc/47/31/06/531473106.db2.gz GATBEFJZMMJBDP-JFIYKMOQSA-N 1 0 385.599 1.982 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415359240 531478614 /nfs/dbraw/zinc/47/86/14/531478614.db2.gz VNQFKDQWOSMMQL-JTQLQIEISA-N 1 0 398.257 1.372 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000268147913 531479165 /nfs/dbraw/zinc/47/91/65/531479165.db2.gz FOZIVNGMZKEWFI-FZMZJTMJSA-N 1 0 378.523 1.588 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c(C)cc1Br ZINC000415385227 531481414 /nfs/dbraw/zinc/48/14/14/531481414.db2.gz VKVVOXRYWYPVBH-SNVBAGLBSA-N 1 0 398.257 1.351 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415383342 531481695 /nfs/dbraw/zinc/48/16/95/531481695.db2.gz XQUINVOPNRGNIK-LURJTMIESA-N 1 0 397.163 1.361 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415392504 531482242 /nfs/dbraw/zinc/48/22/42/531482242.db2.gz JIDQXPSIOGJJKK-QMMMGPOBSA-N 1 0 376.201 1.782 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415398711 531482251 /nfs/dbraw/zinc/48/22/51/531482251.db2.gz SXLSLILAEJOMKB-QMMMGPOBSA-N 1 0 376.201 1.734 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)C1 ZINC000415396100 531482562 /nfs/dbraw/zinc/48/25/62/531482562.db2.gz OTOWMCCWIDEVFC-JTQLQIEISA-N 1 0 381.889 1.808 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2Br)C1 ZINC000415394279 531482596 /nfs/dbraw/zinc/48/25/96/531482596.db2.gz MBGIZOCVJIREMD-SNVBAGLBSA-N 1 0 398.257 1.242 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000415408676 531483055 /nfs/dbraw/zinc/48/30/55/531483055.db2.gz CNAVNKQFPHMPCB-SECBINFHSA-N 1 0 385.255 1.484 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(I)cnn1C ZINC000294516196 531483091 /nfs/dbraw/zinc/48/30/91/531483091.db2.gz JXDVESIOUWOHTM-SNVBAGLBSA-N 1 0 390.269 1.827 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc1I ZINC000415415741 531484185 /nfs/dbraw/zinc/48/41/85/531484185.db2.gz IWHJLZSPVJKSKY-VIFPVBQESA-N 1 0 375.210 1.344 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415428552 531484698 /nfs/dbraw/zinc/48/46/98/531484698.db2.gz ACYSXVAGGHGVMC-CQSZACIVSA-N 1 0 385.306 1.549 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[C@@H]1[NH3+] ZINC000415432514 531485162 /nfs/dbraw/zinc/48/51/62/531485162.db2.gz HEVIUBURCZJRIP-HQJQHLMTSA-N 1 0 376.201 1.862 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1Br ZINC000415430570 531485372 /nfs/dbraw/zinc/48/53/72/531485372.db2.gz FMHOURTZFKYTCH-ZWNOBZJWSA-N 1 0 384.274 1.982 20 0 GDADRO CC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280312184 531486618 /nfs/dbraw/zinc/48/66/18/531486618.db2.gz OMHYERLNYKAJAE-BXUZGUMPSA-N 1 0 394.946 1.724 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000294599371 531487438 /nfs/dbraw/zinc/48/74/38/531487438.db2.gz IZQXXWZVIFQRIB-TZMCWYRMSA-N 1 0 395.301 1.932 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000545160552 531488816 /nfs/dbraw/zinc/48/88/16/531488816.db2.gz VRAOJRNAEVUCAB-GFCCVEGCSA-N 1 0 383.695 1.447 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cc(OC)c(OC)cc1Br ZINC000294647408 531489607 /nfs/dbraw/zinc/48/96/07/531489607.db2.gz UJIXEKOXMBMJSY-UHFFFAOYSA-N 1 0 375.263 1.774 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(F)c1I ZINC000415490094 531489624 /nfs/dbraw/zinc/48/96/24/531489624.db2.gz VKEFIBLHIWHRHU-MRVPVSSYSA-N 1 0 391.184 1.319 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000415501499 531490791 /nfs/dbraw/zinc/49/07/91/531490791.db2.gz RKRWZSICDRLLAN-NSHDSACASA-N 1 0 375.878 1.316 20 0 GDADRO Cc1ccc(I)cc1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415505032 531491269 /nfs/dbraw/zinc/49/12/69/531491269.db2.gz HLVRDACNCONXJX-LLVKDONJSA-N 1 0 375.210 1.791 20 0 GDADRO COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1cc(Br)ccc1C ZINC000450261770 531491449 /nfs/dbraw/zinc/49/14/49/531491449.db2.gz JUCDDPUFLBLHPU-AWEZNQCLSA-N 1 0 380.242 1.924 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(I)cc1 ZINC000415520943 531491755 /nfs/dbraw/zinc/49/17/55/531491755.db2.gz KYVGDVKXXGYGQB-ZJUUUORDSA-N 1 0 387.221 1.425 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000415545423 531492734 /nfs/dbraw/zinc/49/27/34/531492734.db2.gz KHHCOBDHHNJISM-UHFFFAOYSA-N 1 0 379.511 1.922 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658433037 531511035 /nfs/dbraw/zinc/51/10/35/531511035.db2.gz NUTYSOJHTBZZIO-ZDUSSCGKSA-N 1 0 387.933 1.929 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000280547755 531511654 /nfs/dbraw/zinc/51/16/54/531511654.db2.gz ZVWRIDTZTCTSEO-UHFFFAOYSA-N 1 0 388.310 1.182 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccccc1I ZINC000415667706 531511951 /nfs/dbraw/zinc/51/19/51/531511951.db2.gz YRKAOIZSUFBYSJ-GXSJLCMTSA-N 1 0 387.221 1.344 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000415674875 531512359 /nfs/dbraw/zinc/51/23/59/531512359.db2.gz LMTJPSXRLKUDEG-INIZCTEOSA-N 1 0 398.305 1.883 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000415669229 531512424 /nfs/dbraw/zinc/51/24/24/531512424.db2.gz FMRXKGXAJGHNIC-AOOOYVTPSA-N 1 0 398.257 1.083 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@H](CC[NH3+])C(F)F)c(C)c1 ZINC000581725988 531513156 /nfs/dbraw/zinc/51/31/56/531513156.db2.gz SRFNURZXXXTKDV-CYBMUJFWSA-N 1 0 377.457 1.379 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000415681558 531514117 /nfs/dbraw/zinc/51/41/17/531514117.db2.gz RIOHLASBPCPTOW-NSHDSACASA-N 1 0 386.294 1.930 20 0 GDADRO [NH3+]CC[C@@H]1CCCCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000489935663 531514183 /nfs/dbraw/zinc/51/41/83/531514183.db2.gz QCZZUEHVGZZMLR-ZDUSSCGKSA-N 1 0 397.317 1.707 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658540184 531514651 /nfs/dbraw/zinc/51/46/51/531514651.db2.gz QRYHZOIJBWJKKZ-UHFFFAOYSA-N 1 0 387.889 1.092 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2cc(C)cc(Br)c2)CCC[NH2+]1 ZINC000415701311 531515753 /nfs/dbraw/zinc/51/57/53/531515753.db2.gz BJSZYFBMHHGRLP-MRXNPFEDSA-N 1 0 384.274 1.581 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CCC[NH2+]1 ZINC000415700829 531515758 /nfs/dbraw/zinc/51/57/58/531515758.db2.gz ADFQOXJKZUMDJH-INIZCTEOSA-N 1 0 390.267 1.825 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415724324 531519667 /nfs/dbraw/zinc/51/96/67/531519667.db2.gz MLCAKWVXFJDYFC-QGZVFWFLSA-N 1 0 396.285 1.998 20 0 GDADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000415722260 531519680 /nfs/dbraw/zinc/51/96/80/531519680.db2.gz HOHVHNJONIIKFO-ZDUSSCGKSA-N 1 0 395.301 1.202 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2ccc(Br)cc2C)CC[NH2+]CC1 ZINC000415707185 531517542 /nfs/dbraw/zinc/51/75/42/531517542.db2.gz NEOYRENEUKYHDT-UHFFFAOYSA-N 1 0 398.301 1.828 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)c(Br)c1 ZINC000280615352 531517580 /nfs/dbraw/zinc/51/75/80/531517580.db2.gz YQBZVFWTYNUKGF-PHIMTYICSA-N 1 0 375.288 1.640 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2cc(Cl)cc(F)c2F)CC[NH2+]CC1 ZINC000415712248 531518315 /nfs/dbraw/zinc/51/83/15/531518315.db2.gz UHIKBRKCSMHCHZ-UHFFFAOYSA-N 1 0 375.803 1.689 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)CCC[NH2+]1 ZINC000415712819 531518447 /nfs/dbraw/zinc/51/84/47/531518447.db2.gz VWQSOXCGCJUGFU-INIZCTEOSA-N 1 0 390.267 1.825 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1Br ZINC000415554364 531494548 /nfs/dbraw/zinc/49/45/48/531494548.db2.gz ALOAMQYAWDIBGZ-NXEZZACHSA-N 1 0 398.257 1.383 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000415571538 531496912 /nfs/dbraw/zinc/49/69/12/531496912.db2.gz MSIHVNXCWSGWQH-MNOVXSKESA-N 1 0 384.274 1.982 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C1 ZINC000610134895 531497413 /nfs/dbraw/zinc/49/74/13/531497413.db2.gz CZFNTUBQBLQCFG-OAGGEKHMSA-N 1 0 375.535 1.311 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cncc(Br)c1 ZINC000657884201 531497546 /nfs/dbraw/zinc/49/75/46/531497546.db2.gz MXKGLVQCHQFCJZ-YOEHRIQHSA-N 1 0 383.334 1.901 20 0 GDADRO CC(C)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000489399297 531499151 /nfs/dbraw/zinc/49/91/51/531499151.db2.gz UIARYMBMOMSAFS-MRXNPFEDSA-N 1 0 387.933 1.759 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000489399296 531499316 /nfs/dbraw/zinc/49/93/16/531499316.db2.gz UIARYMBMOMSAFS-INIZCTEOSA-N 1 0 387.933 1.759 20 0 GDADRO COC(=O)c1c(Br)ccc(NC(=O)NC[C@H]2C[NH2+]CCO2)c1C ZINC000415594806 531500422 /nfs/dbraw/zinc/50/04/22/531500422.db2.gz GNDJOJIKFSFWBF-SNVBAGLBSA-N 1 0 386.246 1.654 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415605440 531501077 /nfs/dbraw/zinc/50/10/77/531501077.db2.gz CLJRVKHGMCBETI-CABZTGNLSA-N 1 0 381.274 1.774 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000415600227 531501310 /nfs/dbraw/zinc/50/13/10/531501310.db2.gz YANUXEJENJLNJP-INIZCTEOSA-N 1 0 382.258 1.608 20 0 GDADRO O=C(CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Nc1ccc(Br)cc1 ZINC000363728711 531503184 /nfs/dbraw/zinc/50/31/84/531503184.db2.gz OZCOEXBAZFQHJG-HOTGVXAUSA-N 1 0 382.302 1.919 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCS(=O)(=O)C1 ZINC000556799690 531503398 /nfs/dbraw/zinc/50/33/98/531503398.db2.gz ONRZVQSDXYRZSA-JHJVBQTASA-N 1 0 384.464 1.788 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN(CCO)CCOC ZINC000294877144 531503425 /nfs/dbraw/zinc/50/34/25/531503425.db2.gz QKOHXZAERNNNGC-GFCCVEGCSA-N 1 0 389.290 1.403 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(I)cc2F)C1 ZINC000450621763 531503822 /nfs/dbraw/zinc/50/38/22/531503822.db2.gz JBBSLIBZTLAGQX-ZDUSSCGKSA-N 1 0 378.185 1.227 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1nc2c(s1)COCC2 ZINC000556958665 531504417 /nfs/dbraw/zinc/50/44/17/531504417.db2.gz ZLZIISLUCKWZAK-NSHDSACASA-N 1 0 379.408 1.173 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415627147 531504485 /nfs/dbraw/zinc/50/44/85/531504485.db2.gz RRIHGAMPAXJHNP-ZWNOBZJWSA-N 1 0 384.274 1.901 20 0 GDADRO COC(=O)c1cccc(NC(=O)NC[C@H]2C[NH2+]CCCO2)c1Br ZINC000415617187 531504760 /nfs/dbraw/zinc/50/47/60/531504760.db2.gz VCACXLOPIKLAKK-SNVBAGLBSA-N 1 0 386.246 1.736 20 0 GDADRO Cn1cc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)nc1Cl ZINC000280510285 531505358 /nfs/dbraw/zinc/50/53/58/531505358.db2.gz PXZPZHNSVWOUQL-GASCZTMLSA-N 1 0 380.901 1.826 20 0 GDADRO C[N@H+](CC(=O)N1CCSc2ccccc21)C1CCN(S(C)(=O)=O)CC1 ZINC000268406232 531507582 /nfs/dbraw/zinc/50/75/82/531507582.db2.gz WTFAYHFXQASQQP-UHFFFAOYSA-N 1 0 383.539 1.481 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000363774127 531508286 /nfs/dbraw/zinc/50/82/86/531508286.db2.gz AMNPMNUMDGJRMN-KGLIPLIRSA-N 1 0 384.274 1.529 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000658427110 531508529 /nfs/dbraw/zinc/50/85/29/531508529.db2.gz MGTBGXQEEJYXOA-UHFFFAOYSA-N 1 0 385.306 1.387 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415656499 531509273 /nfs/dbraw/zinc/50/92/73/531509273.db2.gz PDRIQAZJCRFERW-LURJTMIESA-N 1 0 384.152 1.750 20 0 GDADRO CSc1cc2c(cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)OCCO2 ZINC000415794298 531532494 /nfs/dbraw/zinc/53/24/94/531532494.db2.gz VOZYGDRPJBSMMV-QMMMGPOBSA-N 1 0 375.397 1.217 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415750140 531523553 /nfs/dbraw/zinc/52/35/53/531523553.db2.gz STRLYBKYOOSBDO-VXGBXAGGSA-N 1 0 396.285 1.773 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000415743598 531524004 /nfs/dbraw/zinc/52/40/04/531524004.db2.gz KJWPLVKDSJGKTI-WDEREUQCSA-N 1 0 382.258 1.464 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(F)cc1I ZINC000415748113 531524083 /nfs/dbraw/zinc/52/40/83/531524083.db2.gz QFPPFEIOYLJTET-XVKPBYJWSA-N 1 0 391.184 1.317 20 0 GDADRO O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280685874 531524696 /nfs/dbraw/zinc/52/46/96/531524696.db2.gz ANVNMRKHHHKYOB-DYVFJYSZSA-N 1 0 383.539 1.407 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415759731 531525239 /nfs/dbraw/zinc/52/52/39/531525239.db2.gz FJEHPORENHBQCV-JQWIXIFHSA-N 1 0 382.258 1.607 20 0 GDADRO CCOC(=O)c1ccc(CS(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000295134911 531526024 /nfs/dbraw/zinc/52/60/24/531526024.db2.gz BJYIQJSUVCMWKH-KRWDZBQOSA-N 1 0 386.539 1.720 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415775757 531528598 /nfs/dbraw/zinc/52/85/98/531528598.db2.gz AMKRWPIRLZLJOL-MRVPVSSYSA-N 1 0 395.628 1.737 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000415784095 531529654 /nfs/dbraw/zinc/52/96/54/531529654.db2.gz GZMAWLIKNCHGPJ-JTQLQIEISA-N 1 0 380.189 1.495 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000415785022 531530120 /nfs/dbraw/zinc/53/01/20/531530120.db2.gz OPTSKPCNECKGQD-SNVBAGLBSA-N 1 0 389.237 1.782 20 0 GDADRO C[C@@H]1C[N@H+](CCO)CCN1c1ncnc2ccc(I)cc21 ZINC000450954623 531519959 /nfs/dbraw/zinc/51/99/59/531519959.db2.gz NTHCKGMQCDWZAQ-LLVKDONJSA-N 1 0 398.248 1.737 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000551446070 531537989 /nfs/dbraw/zinc/53/79/89/531537989.db2.gz YHNGNBPWFSXIQH-LBPRGKRZSA-N 1 0 390.889 1.898 20 0 GDADRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280766940 531538250 /nfs/dbraw/zinc/53/82/50/531538250.db2.gz FVGHHNSTQQOPEW-WPGHFRTFSA-N 1 0 376.906 1.829 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c2cc(Br)ccc21 ZINC000659080372 531539019 /nfs/dbraw/zinc/53/90/19/531539019.db2.gz DPYRAWACCOBFSY-CYBMUJFWSA-N 1 0 380.286 1.927 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415829941 531539537 /nfs/dbraw/zinc/53/95/37/531539537.db2.gz FXLOQVAWMVYFLS-ONGXEEELSA-N 1 0 398.257 1.418 20 0 GDADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659084727 531540289 /nfs/dbraw/zinc/54/02/89/531540289.db2.gz MOGSSIXJDIVCEP-CYBMUJFWSA-N 1 0 382.917 1.507 20 0 GDADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)Cn3cccn3)nc12 ZINC000582177366 531540330 /nfs/dbraw/zinc/54/03/30/531540330.db2.gz RAWFWVVBDQNRTA-OAHLLOKOSA-N 1 0 378.274 1.795 20 0 GDADRO CS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1Cl ZINC000659098145 531540619 /nfs/dbraw/zinc/54/06/19/531540619.db2.gz CDTXBDLKJTWKBM-UHFFFAOYSA-N 1 0 388.877 1.038 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000415840151 531540800 /nfs/dbraw/zinc/54/08/00/531540800.db2.gz TZXFSKQDQQKZRP-JTQLQIEISA-N 1 0 377.775 1.375 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1Br ZINC000659103900 531541447 /nfs/dbraw/zinc/54/14/47/531541447.db2.gz FQGZFYJNFIXURK-UHFFFAOYSA-N 1 0 395.301 1.317 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415842625 531541561 /nfs/dbraw/zinc/54/15/61/531541561.db2.gz XHNFROXMRCGAPA-PWSUYJOCSA-N 1 0 384.274 1.948 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[C@H]1F ZINC000659110028 531542454 /nfs/dbraw/zinc/54/24/54/531542454.db2.gz TWMORGMMONYLPG-VXGBXAGGSA-N 1 0 395.232 1.834 20 0 GDADRO COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415848805 531543219 /nfs/dbraw/zinc/54/32/19/531543219.db2.gz YKLZWSJCPXUPHY-QMMMGPOBSA-N 1 0 381.376 1.486 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415849937 531543462 /nfs/dbraw/zinc/54/34/62/531543462.db2.gz GBDITFCOUWQOGA-SNVBAGLBSA-N 1 0 378.782 1.317 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCN2C)cc(C)c1Br ZINC000415857730 531544436 /nfs/dbraw/zinc/54/44/36/531544436.db2.gz RRSKXPQGSKMCHC-ZDUSSCGKSA-N 1 0 383.290 1.024 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCN(CCCO)C1 ZINC000295229534 531544907 /nfs/dbraw/zinc/54/49/07/531544907.db2.gz IGCVHLJZUIRKOV-ZDUSSCGKSA-N 1 0 390.889 1.252 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cc(I)ccc1F ZINC000268608301 531545891 /nfs/dbraw/zinc/54/58/91/531545891.db2.gz YSHQYPXPXDRVOD-UHFFFAOYSA-N 1 0 380.201 1.738 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CCCO1 ZINC000415863887 531546680 /nfs/dbraw/zinc/54/66/80/531546680.db2.gz RTLCJVQEKFOQEK-SNVBAGLBSA-N 1 0 390.665 1.617 20 0 GDADRO Cc1cc(I)cnc1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000491090582 531547115 /nfs/dbraw/zinc/54/71/15/531547115.db2.gz GSDWXHOJZLUOEQ-GFCCVEGCSA-N 1 0 386.237 1.323 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCC1([NH3+])CCCC1 ZINC000659493687 531548400 /nfs/dbraw/zinc/54/84/00/531548400.db2.gz AYEHVUSGTOKRPK-UHFFFAOYSA-N 1 0 388.921 1.497 20 0 GDADRO COC(=O)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)Oc1ccc(Br)cc1 ZINC000551985104 531550973 /nfs/dbraw/zinc/55/09/73/531550973.db2.gz KNGRVIIJNPQSPO-RISCZKNCSA-N 1 0 385.258 1.437 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCc1ccc(Br)cc1OC ZINC000659687019 531552219 /nfs/dbraw/zinc/55/22/19/531552219.db2.gz CPJHIUYPYRVFAT-NSHDSACASA-N 1 0 386.290 1.231 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(OCC[NH3+])cc2)s1 ZINC000415936802 531552567 /nfs/dbraw/zinc/55/25/67/531552567.db2.gz MGPYPTVRFYUXDR-UHFFFAOYSA-N 1 0 384.483 1.315 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)c1nc(C(F)(F)F)cs1 ZINC000659683003 531552535 /nfs/dbraw/zinc/55/25/35/531552535.db2.gz QZPSNTXDKDJYNT-ZYTOWTHASA-N 1 0 376.404 1.679 20 0 GDADRO Cc1ccc(C(=O)N2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)s1 ZINC000415998369 531552670 /nfs/dbraw/zinc/55/26/70/531552670.db2.gz UCFDEHJSICKUAP-GFCCVEGCSA-N 1 0 378.420 1.804 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1I)[C@H](C)[NH3+] ZINC000415796162 531532879 /nfs/dbraw/zinc/53/28/79/531532879.db2.gz XIIUDYSCYWACGX-NKWVEPMBSA-N 1 0 395.628 1.735 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415796161 531533082 /nfs/dbraw/zinc/53/30/82/531533082.db2.gz XIIUDYSCYWACGX-BQBZGAKWSA-N 1 0 395.628 1.735 20 0 GDADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415815912 531535303 /nfs/dbraw/zinc/53/53/03/531535303.db2.gz MOWALYPJCHOZBJ-RISCZKNCSA-N 1 0 396.285 1.995 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415815877 531535924 /nfs/dbraw/zinc/53/59/24/531535924.db2.gz MHUQHHLTOMQDBN-MFKMUULPSA-N 1 0 382.258 1.607 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000659016623 531536568 /nfs/dbraw/zinc/53/65/68/531536568.db2.gz JAHKZQIJPOUYMN-UHFFFAOYSA-N 1 0 386.294 1.882 20 0 GDADRO CC(=O)NCCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000552214817 531554816 /nfs/dbraw/zinc/55/48/16/531554816.db2.gz MPNABZKKPMEOSI-GFCCVEGCSA-N 1 0 379.682 1.958 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1Br ZINC000659696179 531554962 /nfs/dbraw/zinc/55/49/62/531554962.db2.gz AMGKPMLHHPJGEJ-UHFFFAOYSA-N 1 0 382.258 1.024 20 0 GDADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000659708889 531555553 /nfs/dbraw/zinc/55/55/53/531555553.db2.gz BOSXVVCUQRWWNZ-UHFFFAOYSA-N 1 0 385.295 1.510 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)Oc1cccc(Br)c1 ZINC000659702554 531555735 /nfs/dbraw/zinc/55/57/35/531555735.db2.gz PQKJBAQEGHRXMI-GFCCVEGCSA-N 1 0 398.301 1.720 20 0 GDADRO CCOC[C@H](C)CS(=O)(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000451147682 531555840 /nfs/dbraw/zinc/55/58/40/531555840.db2.gz OBFYBHLPMPDMAJ-BZSNNMDCSA-N 1 0 375.579 1.479 20 0 GDADRO CC(C)(C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc(Br)cc1 ZINC000582843802 531556021 /nfs/dbraw/zinc/55/60/21/531556021.db2.gz AFTAXJIVGOXPOR-UHFFFAOYSA-N 1 0 393.289 1.893 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000613521546 531567700 /nfs/dbraw/zinc/56/77/00/531567700.db2.gz FNNBKJRWMBTTSJ-IJEWVQPXSA-N 1 0 384.274 1.105 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)C[C@H]2CCCCC2(F)F)C1 ZINC000451159507 531557670 /nfs/dbraw/zinc/55/76/70/531557670.db2.gz QXKDPDYJZIBQRQ-ZIAGYGMSSA-N 1 0 381.489 1.319 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)C[C@@H]2CCCCC2(F)F)C1 ZINC000451159503 531557708 /nfs/dbraw/zinc/55/77/08/531557708.db2.gz QXKDPDYJZIBQRQ-KBPBESRZSA-N 1 0 381.489 1.319 20 0 GDADRO NC(=O)[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000280924557 531558439 /nfs/dbraw/zinc/55/84/39/531558439.db2.gz PWDIXRGEPHVVNG-NHYWBVRUSA-N 1 0 395.301 1.759 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000659751013 531558951 /nfs/dbraw/zinc/55/89/51/531558951.db2.gz FFRFHJKLJOCALJ-FZMZJTMJSA-N 1 0 384.274 1.073 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000659744645 531559096 /nfs/dbraw/zinc/55/90/96/531559096.db2.gz ZRXPFEIEHMMEIU-CHHLVHLRSA-N 1 0 393.285 1.376 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)NCC2([NH3+])CCCC2)c1 ZINC000659734942 531559656 /nfs/dbraw/zinc/55/96/56/531559656.db2.gz VXVZUNOKIGMUDA-UHFFFAOYSA-N 1 0 398.301 1.804 20 0 GDADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCSC2)c1 ZINC000552766562 531559913 /nfs/dbraw/zinc/55/99/13/531559913.db2.gz HRQLICGNCDXAEU-CQSZACIVSA-N 1 0 385.555 1.998 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000268745847 531563952 /nfs/dbraw/zinc/56/39/52/531563952.db2.gz FTIGXMGVXBSAIV-CYBMUJFWSA-N 1 0 389.543 1.059 20 0 GDADRO O=S1(=O)CCC(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000583079481 531564217 /nfs/dbraw/zinc/56/42/17/531564217.db2.gz WGRWXTPSPDEBLJ-CQSZACIVSA-N 1 0 392.315 1.603 20 0 GDADRO CC(C)O[C@@]1(CS(=O)(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC000659925848 531571346 /nfs/dbraw/zinc/57/13/46/531571346.db2.gz RDNHJYWHZCWIRT-XDNAFOTISA-N 1 0 376.563 1.856 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)C[C@@H]1C ZINC000451239664 531574229 /nfs/dbraw/zinc/57/42/29/531574229.db2.gz XENZZTZYDHRHSL-HOCLYGCPSA-N 1 0 388.555 1.725 20 0 GDADRO C[C@@H](CNC(=O)CCS(=O)(=O)c1cccc(Br)c1)C[NH+](C)C ZINC000416244143 531574792 /nfs/dbraw/zinc/57/47/92/531574792.db2.gz VGRNHRKFUJMTMT-LBPRGKRZSA-N 1 0 391.331 1.927 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC12CCOCC2 ZINC000583442141 531575409 /nfs/dbraw/zinc/57/54/09/531575409.db2.gz SKWQEWXHOQKABM-ZDUSSCGKSA-N 1 0 386.901 1.328 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](O)COc1ccccc1Br ZINC000268887070 531583276 /nfs/dbraw/zinc/58/32/76/531583276.db2.gz CZENHJZDVPUEQO-STQMWFEESA-N 1 0 388.306 1.828 20 0 GDADRO CN1CC(=O)N(CC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000660033546 531589671 /nfs/dbraw/zinc/58/96/71/531589671.db2.gz ADEDRXFBCKOCKK-UHFFFAOYSA-N 1 0 396.285 1.938 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636966425 531590684 /nfs/dbraw/zinc/59/06/84/531590684.db2.gz RAZSUEYCNDPMMM-WCQYABFASA-N 1 0 388.281 1.885 20 0 GDADRO COc1ccc(NC(=O)CC[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1Cl ZINC000268956768 531591592 /nfs/dbraw/zinc/59/15/92/531591592.db2.gz YNNHDIPNTDASGA-UHFFFAOYSA-N 1 0 389.905 1.645 20 0 GDADRO CCOC[C@H](C)CS(=O)(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000451337462 531593270 /nfs/dbraw/zinc/59/32/70/531593270.db2.gz RBDGJXHCAFKHBV-KRWDZBQOSA-N 1 0 375.579 1.479 20 0 GDADRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268981529 531594624 /nfs/dbraw/zinc/59/46/24/531594624.db2.gz DHNZBYJTVNTDFC-JJRVBVJISA-N 1 0 388.555 1.471 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1 ZINC000281244438 531597405 /nfs/dbraw/zinc/59/74/05/531597405.db2.gz UCHVEQPROQRVCC-LLVKDONJSA-N 1 0 376.425 1.856 20 0 GDADRO COc1cc(Br)c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1OC ZINC000614502178 531598476 /nfs/dbraw/zinc/59/84/76/531598476.db2.gz DWEHEMUIMNGTAY-GFCCVEGCSA-N 1 0 398.301 1.586 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)NCC[N@H+]1CC[C@H](O)C1 ZINC000637024646 531596354 /nfs/dbraw/zinc/59/63/54/531596354.db2.gz UEKSOKUUWVLYBX-AWEZNQCLSA-N 1 0 376.284 1.876 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000268989997 531596552 /nfs/dbraw/zinc/59/65/52/531596552.db2.gz VRLUZAHIEJXJMJ-DLBZAZTESA-N 1 0 386.539 1.522 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000637079429 531599499 /nfs/dbraw/zinc/59/94/99/531599499.db2.gz WRSKEEPADDMQLW-CYBMUJFWSA-N 1 0 399.289 1.022 20 0 GDADRO O=S(=O)(CC[NH2+]CCN1CCCOCC1)c1cccc(Br)c1 ZINC000583867800 531601838 /nfs/dbraw/zinc/60/18/38/531601838.db2.gz LLPVYRQFFWENSQ-UHFFFAOYSA-N 1 0 391.331 1.535 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)CCOCC2CCCC2)CC1 ZINC000416409243 531604929 /nfs/dbraw/zinc/60/49/29/531604929.db2.gz UNGNNPJTRQPTRM-QGZVFWFLSA-N 1 0 375.579 1.386 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000281398491 531612223 /nfs/dbraw/zinc/61/22/23/531612223.db2.gz HOUVECOXVVYXIR-IVMMDQJWSA-N 1 0 381.318 1.850 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1cc(Cl)ccc1Br ZINC000637236741 531615611 /nfs/dbraw/zinc/61/56/11/531615611.db2.gz BFCVMZUDHDCAMT-LBPRGKRZSA-N 1 0 376.682 1.968 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)C1 ZINC000269140250 531613962 /nfs/dbraw/zinc/61/39/62/531613962.db2.gz VIMOMKIQQQZPEJ-NSHDSACASA-N 1 0 390.303 1.133 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)C1 ZINC000269135070 531614080 /nfs/dbraw/zinc/61/40/80/531614080.db2.gz QHEKIVGNZUXAMV-CQSZACIVSA-N 1 0 379.507 1.661 20 0 GDADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1c[nH]c(=O)c(Br)c1 ZINC000269160197 531617536 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1.367 20 0 GDADRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639625173 531699872 /nfs/dbraw/zinc/69/98/72/531699872.db2.gz PVTCZGNAAWAZJX-ZDUSSCGKSA-N 1 0 385.555 1.599 20 0 GDADRO C[C@@]12C[NH+](Cc3cc4c(c(Br)c3)OCO4)C[C@@]1(C)C(=O)NC2=O ZINC000639363039 531690463 /nfs/dbraw/zinc/69/04/63/531690463.db2.gz WDVYAXGJPOOSKX-HOTGVXAUSA-N 1 0 381.226 1.662 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000282001226 531690694 /nfs/dbraw/zinc/69/06/94/531690694.db2.gz RUXPJQUVUGILDJ-QMTHXVAHSA-N 1 0 384.893 1.527 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000503279917 531691531 /nfs/dbraw/zinc/69/15/31/531691531.db2.gz BIISXZZGAVJPJU-KBPBESRZSA-N 1 0 393.600 1.528 20 0 GDADRO CC(C)([NH3+])c1cc(C(=O)NC[C@H](O)COc2ccccc2Br)on1 ZINC000662640250 531691701 /nfs/dbraw/zinc/69/17/01/531691701.db2.gz NWJCPTVQFYCLRX-JTQLQIEISA-N 1 0 398.257 1.801 20 0 GDADRO C[C@@H]1CN(CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)[C@H](C)CO1 ZINC000662634298 531692638 /nfs/dbraw/zinc/69/26/38/531692638.db2.gz QWDXYPOULVYWPC-XNJGSVPQSA-N 1 0 384.318 1.848 20 0 GDADRO [NH3+]C1(C(=O)NC[C@@H](O)COc2ccccc2Br)CC2(CCC2)C1 ZINC000662639223 531692661 /nfs/dbraw/zinc/69/26/61/531692661.db2.gz HSNITBYYROAPDB-GFCCVEGCSA-N 1 0 383.286 1.967 20 0 GDADRO C[N@H+](C[C@@H](O)CC1(O)CCOCC1)[C@H](CO)c1cccc(Br)c1 ZINC000639554272 531693617 /nfs/dbraw/zinc/69/36/17/531693617.db2.gz KNJCKMGJDQLNPB-JKSUJKDBSA-N 1 0 388.302 1.707 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC2 ZINC000662943753 531701498 /nfs/dbraw/zinc/70/14/98/531701498.db2.gz BVNWMNXERDIKAD-UHFFFAOYSA-N 1 0 382.302 1.838 20 0 GDADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000451883434 531702733 /nfs/dbraw/zinc/70/27/33/531702733.db2.gz FAQFBPDGFNFTKP-UHFFFAOYSA-N 1 0 391.559 1.005 20 0 GDADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000451882353 531703318 /nfs/dbraw/zinc/70/33/18/531703318.db2.gz CVXFNRCIAJRFKE-UHFFFAOYSA-N 1 0 395.522 1.596 20 0 GDADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1(C)C ZINC000282095453 531703659 /nfs/dbraw/zinc/70/36/59/531703659.db2.gz CAVLCRZRGMBCBM-UHFFFAOYSA-N 1 0 380.436 1.405 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)C2 ZINC000662994769 531705862 /nfs/dbraw/zinc/70/58/62/531705862.db2.gz XRWVSZBKHFKBIR-SMDDNHRTSA-N 1 0 396.285 1.174 20 0 GDADRO C[C@@H]1CN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)[N@H+]1CCO ZINC000366104080 531706505 /nfs/dbraw/zinc/70/65/05/531706505.db2.gz NXHAFSLSIMVSFS-JKIFEVAISA-N 1 0 396.329 1.941 20 0 GDADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000282114066 531707054 /nfs/dbraw/zinc/70/70/54/531707054.db2.gz QEHHPQWPGPGONP-OAHLLOKOSA-N 1 0 396.285 1.553 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCCS(C)(=O)=O ZINC000296586569 531707269 /nfs/dbraw/zinc/70/72/69/531707269.db2.gz XGTQJYVOGMVANY-SNVBAGLBSA-N 1 0 393.303 1.097 20 0 GDADRO CN1CC(=O)N(CC[N@H+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1=O ZINC000639919687 531708084 /nfs/dbraw/zinc/70/80/84/531708084.db2.gz RTNMHMSIBYMACX-ZDUSSCGKSA-N 1 0 390.267 1.559 20 0 GDADRO CSC[C@](C)(O)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000591257383 531712205 /nfs/dbraw/zinc/71/22/05/531712205.db2.gz AOLGYAIFEIXLAT-GFCCVEGCSA-N 1 0 383.333 1.300 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000269723985 531726056 /nfs/dbraw/zinc/72/60/56/531726056.db2.gz HJHKYSLFNPOQMJ-GFCCVEGCSA-N 1 0 392.905 1.762 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c(C(=O)OC)s1 ZINC000269724182 531726358 /nfs/dbraw/zinc/72/63/58/531726358.db2.gz VUUSLKZEJKWZIZ-UHFFFAOYSA-N 1 0 392.499 1.282 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000561934968 531728176 /nfs/dbraw/zinc/72/81/76/531728176.db2.gz OKSNWVLGRMCZKY-UHFFFAOYSA-N 1 0 378.274 1.270 20 0 GDADRO CCN(C(=O)[C@@H](C)N(C)CC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000505880487 531729615 /nfs/dbraw/zinc/72/96/15/531729615.db2.gz UXWGCLQCAVQYOY-IAGOWNOFSA-N 1 0 375.579 1.461 20 0 GDADRO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](C)C[NH2+]1 ZINC000505852583 531729847 /nfs/dbraw/zinc/72/98/47/531729847.db2.gz XMKGZQZSKWFNSK-MNOVXSKESA-N 1 0 394.324 1.871 20 0 GDADRO O=C(CCn1cc(Br)cn1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000591332795 531717630 /nfs/dbraw/zinc/71/76/30/531717630.db2.gz SWTUQOLSCIJADB-UHFFFAOYSA-N 1 0 385.306 1.797 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000561722533 531720025 /nfs/dbraw/zinc/72/00/25/531720025.db2.gz OOMUCBXWNZCNFQ-UHFFFAOYSA-N 1 0 377.894 1.926 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncc(Br)cc1S(N)(=O)=O ZINC000664143167 531720712 /nfs/dbraw/zinc/72/07/12/531720712.db2.gz RXPVZHCRHXGRQR-SNVBAGLBSA-N 1 0 377.308 1.776 20 0 GDADRO CSC1(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000562125794 531735043 /nfs/dbraw/zinc/73/50/43/531735043.db2.gz YHBIMBAUAXXXOY-UHFFFAOYSA-N 1 0 385.599 1.866 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000416906382 531743314 /nfs/dbraw/zinc/74/33/14/531743314.db2.gz SCPPXVRZGDEORS-GHMZBOCLSA-N 1 0 387.278 1.067 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)C[NH2+]C)s1 ZINC000416915579 531745590 /nfs/dbraw/zinc/74/55/90/531745590.db2.gz MRLKIRPJDVJOJA-GFCCVEGCSA-N 1 0 376.548 1.433 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452025240 531752530 /nfs/dbraw/zinc/75/25/30/531752530.db2.gz QTMYUFCAPJYQJH-LSDHHAIUSA-N 1 0 379.448 1.498 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)c1ccsc1 ZINC000666155160 531754415 /nfs/dbraw/zinc/75/44/15/531754415.db2.gz URTSZLXVSKXKKJ-AWEZNQCLSA-N 1 0 382.511 1.028 20 0 GDADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000666239424 531756625 /nfs/dbraw/zinc/75/66/25/531756625.db2.gz KHBIDBDXRXBECR-NXEZZACHSA-N 1 0 392.319 1.489 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCc1ccc(Br)s1)C2 ZINC000621838943 531759844 /nfs/dbraw/zinc/75/98/44/531759844.db2.gz LQKUCUUHHKKPFI-ZUZCIYMTSA-N 1 0 386.315 1.509 20 0 GDADRO [NH3+][C@@H](c1cn(CC(=O)NC[C@H]2CCCO2)nn1)c1ccc(Br)cc1 ZINC000640762690 531762352 /nfs/dbraw/zinc/76/23/52/531762352.db2.gz CCAWCDBLKPFIQP-CZUORRHYSA-N 1 0 394.273 1.384 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(Br)c[nH]c1=O ZINC000621927064 531762422 /nfs/dbraw/zinc/76/24/22/531762422.db2.gz CKDFRHJNRYBOCM-MRVWCRGKSA-N 1 0 384.274 1.873 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000562564787 531764129 /nfs/dbraw/zinc/76/41/29/531764129.db2.gz YRIFLPJNZZEQGB-SJORKVTESA-N 1 0 387.929 1.959 20 0 GDADRO O=C(NCCCOc1ccc(Cl)cc1Cl)NCCN1CC[NH2+]CC1 ZINC000417339160 531765807 /nfs/dbraw/zinc/76/58/07/531765807.db2.gz ZXFIMRIFRPXJCE-UHFFFAOYSA-N 1 0 375.300 1.967 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000508135048 531766048 /nfs/dbraw/zinc/76/60/48/531766048.db2.gz WKFLKVVZFRKALX-AWEZNQCLSA-N 1 0 387.933 1.999 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000282418566 531751249 /nfs/dbraw/zinc/75/12/49/531751249.db2.gz IRSAJAONVWZALT-CQSZACIVSA-N 1 0 386.290 1.886 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)Nc2ccc(Br)c(C)n2)CC[N@H+](C)C1 ZINC000416991079 531751464 /nfs/dbraw/zinc/75/14/64/531751464.db2.gz NZHZVEXKJQCQMQ-LLVKDONJSA-N 1 0 385.262 1.721 20 0 GDADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000417037535 531751642 /nfs/dbraw/zinc/75/16/42/531751642.db2.gz UAVCBUSRTCWNPE-ZDUSSCGKSA-N 1 0 378.445 1.155 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000622576379 531780770 /nfs/dbraw/zinc/78/07/70/531780770.db2.gz RBKVJLSUVXDFKO-GDBMZVCRSA-N 1 0 385.555 1.500 20 0 GDADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000667620052 531781226 /nfs/dbraw/zinc/78/12/26/531781226.db2.gz MYKVRJHQKWKGRP-ZIAGYGMSSA-N 1 0 392.297 1.944 20 0 GDADRO [NH3+]C[C@@H](O)CCc1cn(Cc2ccc(Br)c3cccnc23)nn1 ZINC000641157508 531781914 /nfs/dbraw/zinc/78/19/14/531781914.db2.gz SDBWGAIEMAFJLZ-ZDUSSCGKSA-N 1 0 376.258 1.889 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417588924 531782334 /nfs/dbraw/zinc/78/23/34/531782334.db2.gz UNCYIKJLFBFLTA-ZDUSSCGKSA-N 1 0 397.317 1.788 20 0 GDADRO O=S(=O)(NC[C@H]1CCCC[NH2+]1)c1cccc(I)c1 ZINC000592367335 531782417 /nfs/dbraw/zinc/78/24/17/531782417.db2.gz PWNUMYJZRXJFPE-LLVKDONJSA-N 1 0 380.251 1.712 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000417336097 531766944 /nfs/dbraw/zinc/76/69/44/531766944.db2.gz UZCXRJNUWCLBFI-CYBMUJFWSA-N 1 0 375.300 1.965 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417418120 531768241 /nfs/dbraw/zinc/76/82/41/531768241.db2.gz DGTSUKFZZUYOGK-CQSZACIVSA-N 1 0 385.306 1.852 20 0 GDADRO COc1ccc(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000417428419 531769334 /nfs/dbraw/zinc/76/93/34/531769334.db2.gz KZBMNDQZXUQQEY-AWEZNQCLSA-N 1 0 397.317 1.647 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000282565963 531770539 /nfs/dbraw/zinc/77/05/39/531770539.db2.gz 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531780112 /nfs/dbraw/zinc/78/01/12/531780112.db2.gz MOEOIQOMNQZRSG-ONGXEEELSA-N 1 0 388.237 1.410 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418086809 531801472 /nfs/dbraw/zinc/80/14/72/531801472.db2.gz DZDRGNJLNBORSG-ZLDLUXBVSA-N 1 0 395.301 1.981 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000562870961 531784350 /nfs/dbraw/zinc/78/43/50/531784350.db2.gz AFDJNWPPKAUSEE-AWEZNQCLSA-N 1 0 382.511 1.553 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cccc(I)c1 ZINC000592387696 531784383 /nfs/dbraw/zinc/78/43/83/531784383.db2.gz HIDBDCVWFPRMSV-ONGXEEELSA-N 1 0 398.241 1.612 20 0 GDADRO C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)Oc1cccc(Br)c1 ZINC000417804156 531786545 /nfs/dbraw/zinc/78/65/45/531786545.db2.gz YXDYIARDNFNACC-TZMCWYRMSA-N 1 0 385.306 1.419 20 0 GDADRO [NH3+][C@@H](c1cn(C[C@@H](O)Cn2cccn2)nn1)c1ccc(Br)cc1 ZINC000641213504 531787052 /nfs/dbraw/zinc/78/70/52/531787052.db2.gz IIEZSZZMIIPSSM-DZGCQCFKSA-N 1 0 377.246 1.346 20 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[NH3+]C1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000418165660 531810727 /nfs/dbraw/zinc/81/07/27/531810727.db2.gz JUBLEFDALAYOBZ-UHFFFAOYSA-N 1 0 395.312 1.404 20 0 GDADRO C[N@@H+]1CC[C@@H](NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1(C)C ZINC000623355202 531811023 /nfs/dbraw/zinc/81/10/23/531811023.db2.gz CYDHOIRYDBWEKI-CQSZACIVSA-N 1 0 387.571 1.731 20 0 GDADRO CN([C@@H]1CCN(C2CC2)C1)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000669628101 531818918 /nfs/dbraw/zinc/81/89/18/531818918.db2.gz WSNMSRXNSOWLDD-LLVKDONJSA-N 1 0 382.877 1.377 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c1 ZINC000515467323 531811498 /nfs/dbraw/zinc/81/14/98/531811498.db2.gz YXPRRYHAWDAIPT-KGLIPLIRSA-N 1 0 376.906 1.402 20 0 GDADRO Cn1cc(C[C@H](CO)[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cn1 ZINC000563138185 531812657 /nfs/dbraw/zinc/81/26/57/531812657.db2.gz OCFDPYBZNBGGIX-HUUCEWRRSA-N 1 0 384.274 1.116 20 0 GDADRO COC[C@@H](CS(=O)(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)OC ZINC000641382725 531813621 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O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418943983 531869032 /nfs/dbraw/zinc/86/90/32/531869032.db2.gz ZLLGLWIJJWFTHH-HNNXBMFYSA-N 1 0 394.313 1.855 20 0 GDADRO CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000563595094 531855706 /nfs/dbraw/zinc/85/57/06/531855706.db2.gz QHGAEINANOUYTL-KGLIPLIRSA-N 1 0 386.327 1.856 20 0 GDADRO O=C(NCC1(c2ccc(Br)cc2)CCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418942746 531869088 /nfs/dbraw/zinc/86/90/88/531869088.db2.gz XTUVPZCJMQYGNZ-HNNXBMFYSA-N 1 0 394.313 1.855 20 0 GDADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000671618936 531857241 /nfs/dbraw/zinc/85/72/41/531857241.db2.gz CDJCJLLLHBCXGB-RYUDHWBXSA-N 1 0 393.303 1.916 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418861880 531857540 /nfs/dbraw/zinc/85/75/40/531857540.db2.gz GDHYOGMMIFQBDP-CYBMUJFWSA-N 1 0 387.311 1.934 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(Br)cn1 ZINC000418870379 531858591 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20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642769530 531863087 /nfs/dbraw/zinc/86/30/87/531863087.db2.gz TWROIIIOFGMEHY-GWCFXTLKSA-N 1 0 386.283 1.127 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418919798 531863285 /nfs/dbraw/zinc/86/32/85/531863285.db2.gz AUIFCCKMKVKMCX-CABCVRRESA-N 1 0 380.286 1.966 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2cc(Br)ccc2F)C[C@H](C)[NH2+]1 ZINC000418922335 531863722 /nfs/dbraw/zinc/86/37/22/531863722.db2.gz KRYUDEMISKMSLU-QWRGUYRKSA-N 1 0 386.265 1.456 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418928861 531864244 /nfs/dbraw/zinc/86/42/44/531864244.db2.gz ZWIIQUQPWLDYDM-QWRGUYRKSA-N 1 0 386.265 1.443 20 0 GDADRO O=C(N[C@H]1CCc2cc(Br)ccc21)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418947646 531870485 /nfs/dbraw/zinc/87/04/85/531870485.db2.gz SRXUBGBBVFQNMA-DXBFTMOHSA-N 1 0 392.297 1.952 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000595245452 531871232 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O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@@H]1CSCCS1 ZINC000283640912 531882377 /nfs/dbraw/zinc/88/23/77/531882377.db2.gz YNZORQZREIUVHR-KGLIPLIRSA-N 1 0 399.607 1.966 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000566248596 531882924 /nfs/dbraw/zinc/88/29/24/531882924.db2.gz GKWKEUGQPADWCL-VIFPVBQESA-N 1 0 399.822 1.457 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000298259943 531869943 /nfs/dbraw/zinc/86/99/43/531869943.db2.gz FTZXSUQVXQVCHL-ZDUSSCGKSA-N 1 0 398.326 1.942 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c(OC)c1 ZINC000270547492 531892073 /nfs/dbraw/zinc/89/20/73/531892073.db2.gz ZYFYRPAZRSXSFP-GFCCVEGCSA-N 1 0 393.531 1.075 20 0 GDADRO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000595847667 531892185 /nfs/dbraw/zinc/89/21/85/531892185.db2.gz BHHNBGQLBAELHR-GSJFWJNXSA-N 1 0 380.242 1.840 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000419051469 531892691 /nfs/dbraw/zinc/89/26/91/531892691.db2.gz FSOUWGRRCMWVTM-ZANVPECISA-N 1 0 387.267 1.021 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)Oc1ccccc1Br ZINC000566728410 531893238 /nfs/dbraw/zinc/89/32/38/531893238.db2.gz TYCBPISEQVWIDZ-OLZOCXBDSA-N 1 0 398.301 1.530 20 0 GDADRO CN(C)S(=O)(=O)N1CCCN(Cc2cc(F)ccc2Br)CC1 ZINC000368094219 531893516 /nfs/dbraw/zinc/89/35/16/531893516.db2.gz WNPQRKFNOLLZDJ-UHFFFAOYSA-N 1 0 394.310 1.902 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419055587 531893837 /nfs/dbraw/zinc/89/38/37/531893837.db2.gz ONXCCNOZHXARRP-TZMCWYRMSA-N 1 0 382.302 1.707 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](N)c3ccccc3Br)C2)CC1 ZINC000595930401 531894147 /nfs/dbraw/zinc/89/41/47/531894147.db2.gz VTZCNMDOLSGBSQ-YOEHRIQHSA-N 1 0 395.345 1.687 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)[NH3+] ZINC000647273247 531894576 /nfs/dbraw/zinc/89/45/76/531894576.db2.gz GOKKSKSVJDZUPI-JTQLQIEISA-N 1 0 381.292 1.490 20 0 GDADRO C[C@@H]1CN(C(=O)c2sc3c(c2I)CNC3)[C@@H](C)C[NH2+]1 ZINC000595948357 531894744 /nfs/dbraw/zinc/89/47/44/531894744.db2.gz QVZMXEKBCRHHJJ-SFYZADRCSA-N 1 0 391.278 1.778 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419057697 531895482 /nfs/dbraw/zinc/89/54/82/531895482.db2.gz VBTBHRJAPWGUFI-WCFLWFBJSA-N 1 0 398.276 1.313 20 0 GDADRO C[N@@H+]1CCCC12CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000368127451 531895844 /nfs/dbraw/zinc/89/58/44/531895844.db2.gz XJCQPMDCQXKIGI-UHFFFAOYSA-N 1 0 385.917 1.705 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(Br)c2Cl)C[C@H](C)[NH2+]1 ZINC000419059365 531895838 /nfs/dbraw/zinc/89/58/38/531895838.db2.gz XSUTWEFVOGMXBA-AOOOYVTPSA-N 1 0 388.693 1.928 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)CC[NH2+]1 ZINC000419065819 531895930 /nfs/dbraw/zinc/89/59/30/531895930.db2.gz IZWBLLPMBQFISM-NOZJJQNGSA-N 1 0 388.693 1.975 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C[C@H]1[NH+](C)C ZINC000270575067 531896596 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CO[C@H](CC(C)C)CS(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420675547 532036932 /nfs/dbraw/zinc/03/69/32/532036932.db2.gz OSGMJLKVCOATFT-GOSISDBHSA-N 1 0 376.563 1.954 20 0 GDADRO CO[C@@H](CC(C)C)CS(=O)(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420689338 532039986 /nfs/dbraw/zinc/03/99/86/532039986.db2.gz NUDSFBYKSUXTKN-AEFFLSMTSA-N 1 0 375.579 1.478 20 0 GDADRO C[NH+](C)CC1(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)CCCCC1 ZINC000460188098 532040846 /nfs/dbraw/zinc/04/08/46/532040846.db2.gz VSQDBOPRSUBXAM-OAHLLOKOSA-N 1 0 385.599 1.975 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000460272299 532042571 /nfs/dbraw/zinc/04/25/71/532042571.db2.gz WYAHMBBQBAXHBR-DYVFJYSZSA-N 1 0 397.317 1.394 20 0 GDADRO C[C@@H]1C[N@@H+](CC2CCN(Cc3nnc(S(C)(=O)=O)s3)CC2)C[C@H](C)O1 ZINC000372688775 532039737 /nfs/dbraw/zinc/03/97/37/532039737.db2.gz ICVYOJGKSIEMMD-BETUJISGSA-N 1 0 388.559 1.263 20 0 GDADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)C1 ZINC000600207421 532044477 /nfs/dbraw/zinc/04/44/77/532044477.db2.gz HVDURASUMWXZPS-TZMCWYRMSA-N 1 0 375.487 1.204 20 0 GDADRO CN1CCC(CNC(=O)Cn2cc(Br)cn2)([NH+]2CCCCC2)CC1 ZINC000460486215 532045090 /nfs/dbraw/zinc/04/50/90/532045090.db2.gz GNYKTMLGAUSNDI-UHFFFAOYSA-N 1 0 398.349 1.712 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(F)cc2Br)n1 ZINC000578375072 532045520 /nfs/dbraw/zinc/04/55/20/532045520.db2.gz CJFFSTQKUOUILO-UHFFFAOYSA-N 1 0 398.236 1.924 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)ccc1Br ZINC000271745252 532049043 /nfs/dbraw/zinc/04/90/43/532049043.db2.gz JLMIBNRSAXFOTO-VIFPVBQESA-N 1 0 386.246 1.241 20 0 GDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421212798 532053020 /nfs/dbraw/zinc/05/30/20/532053020.db2.gz YIMDQBQNNWNVMD-LBPRGKRZSA-N 1 0 380.286 1.891 20 0 GDADRO C[C@@H](CC1CC1)[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271798902 532053529 /nfs/dbraw/zinc/05/35/29/532053529.db2.gz XLEJFWAETYURDY-ZDUSSCGKSA-N 1 0 390.527 1.569 20 0 GDADRO 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O=C(NC[C@H]1CCCN(C(=O)c2ncccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000325972295 532076996 /nfs/dbraw/zinc/07/69/96/532076996.db2.gz WIMHWWXYNKEWIB-OCCSQVGLSA-N 1 0 395.301 1.565 20 0 GDADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423700344 532079267 /nfs/dbraw/zinc/07/92/67/532079267.db2.gz TWHSLBQMTKWRQO-QGZVFWFLSA-N 1 0 382.302 1.647 20 0 GDADRO [NH3+]CC1(NC(=O)c2ccc(F)cc2I)CCOCC1 ZINC000602544908 532080214 /nfs/dbraw/zinc/08/02/14/532080214.db2.gz BSIDHPJUDGQEBP-UHFFFAOYSA-N 1 0 378.185 1.668 20 0 GDADRO [NH3+]C[C@@H](NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)C1CCCC1 ZINC000423936146 532081148 /nfs/dbraw/zinc/08/11/48/532081148.db2.gz CCWPBLQJDPFDBU-CQSZACIVSA-N 1 0 387.527 1.016 20 0 GDADRO COC1CC([NH2+]C[C@@H](O)COc2ccc(I)cc2)C1 ZINC000470179738 532082802 /nfs/dbraw/zinc/08/28/02/532082802.db2.gz BQZCHJVXGKDXNC-MBHSVXNSSA-N 1 0 377.222 1.798 20 0 GDADRO C[C@](CO)([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(Br)cc1 ZINC000285435034 532083672 /nfs/dbraw/zinc/08/36/72/532083672.db2.gz 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COCc1cc(Cl)cc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424390100 532090932 /nfs/dbraw/zinc/09/09/32/532090932.db2.gz JGUCVQXMSYEYFC-JKSUJKDBSA-N 1 0 384.889 1.335 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)C(C)(C)C ZINC000604786906 532099129 /nfs/dbraw/zinc/09/91/29/532099129.db2.gz XLBCFYKEFOBIKM-LSDHHAIUSA-N 1 0 376.567 1.324 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000272340587 532092586 /nfs/dbraw/zinc/09/25/86/532092586.db2.gz WWYLYILUFVWYRU-ZOWXZIJZSA-N 1 0 380.286 1.998 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000328790498 532093376 /nfs/dbraw/zinc/09/33/76/532093376.db2.gz YULMXSSXSWTDGE-QWRGUYRKSA-N 1 0 398.476 1.639 20 0 GDADRO CN(C[C@@H]1CCCN(CC(=O)NCc2cccc(Cl)c2)C1)S(C)(=O)=O ZINC000285548093 532093916 /nfs/dbraw/zinc/09/39/16/532093916.db2.gz IOZRNHUQEXCEDC-HNNXBMFYSA-N 1 0 387.933 1.560 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 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GDADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000330897638 532132514 /nfs/dbraw/zinc/13/25/14/532132514.db2.gz OIKHLQMGXMLMTE-CQSZACIVSA-N 1 0 389.543 1.090 20 0 GDADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@@H](CO)c2ccc(Br)cc2)C1 ZINC000273103836 532134441 /nfs/dbraw/zinc/13/44/41/532134441.db2.gz MPNDGFKQBOOUGN-DOMZBBRYSA-N 1 0 391.331 1.744 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000331775760 532152387 /nfs/dbraw/zinc/15/23/87/532152387.db2.gz CBOACJRKVHDCET-SMDDNHRTSA-N 1 0 392.930 1.257 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C[C@H]1[NH3+] ZINC000331771939 532152784 /nfs/dbraw/zinc/15/27/84/532152784.db2.gz KCXQERPXNLFFJR-OASPWFOLSA-N 1 0 382.258 1.195 20 0 GDADRO C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C[C@H]1C[NH3+] ZINC000331827915 532153221 /nfs/dbraw/zinc/15/32/21/532153221.db2.gz QATKCWXGOZKDEB-CMPLNLGQSA-N 1 0 389.315 1.989 20 0 GDADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)C1(C)C ZINC000425447446 532140261 /nfs/dbraw/zinc/14/02/61/532140261.db2.gz QOGXKMRXMQJXAA-CZUORRHYSA-N 1 0 376.544 1.654 20 0 GDADRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000425488386 532141028 /nfs/dbraw/zinc/14/10/28/532141028.db2.gz WMZKBQXBEGFCDX-OAHLLOKOSA-N 1 0 388.921 1.198 20 0 GDADRO Cc1nc2sccn2c(=O)c1CC[N@H+](CCO)CCOCC(F)(F)F ZINC000286392585 532146940 /nfs/dbraw/zinc/14/69/40/532146940.db2.gz KYNMGHQOHBPYMV-UHFFFAOYSA-N 1 0 379.404 1.480 20 0 GDADRO CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCC[C@@H]2CCO)ccc1Cl ZINC000426267412 532165605 /nfs/dbraw/zinc/16/56/05/532165605.db2.gz NCCZEPMOQMDUMM-CYBMUJFWSA-N 1 0 389.905 1.376 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(c3cccc(Br)c3)CC2)C[C@@H]1[NH3+] ZINC000332165061 532167756 /nfs/dbraw/zinc/16/77/56/532167756.db2.gz UJUTZLBNHFEXFW-WBMJQRKESA-N 1 0 394.313 1.961 20 0 GDADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000286529696 532157471 /nfs/dbraw/zinc/15/74/71/532157471.db2.gz KCHFKWNWTFLEJK-GJZGRUSLSA-N 1 0 388.559 1.416 20 0 GDADRO CN(C(=O)C(=O)N1CCc2cc(Br)cc(F)c21)C1CC[NH2+]CC1 ZINC000332028369 532160560 /nfs/dbraw/zinc/16/05/60/532160560.db2.gz HQFKRLOOVQZDKL-UHFFFAOYSA-N 1 0 384.249 1.688 20 0 GDADRO Cn1ncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1Br ZINC000273633298 532160980 /nfs/dbraw/zinc/16/09/80/532160980.db2.gz QSIXIHLZMZFKEZ-KGLIPLIRSA-N 1 0 385.306 1.680 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N(C)CC[NH+](C)C)c1Br ZINC000426188429 532164734 /nfs/dbraw/zinc/16/47/34/532164734.db2.gz HOIBOXBODCHDTB-UHFFFAOYSA-N 1 0 386.246 1.194 20 0 GDADRO CC[N@H+](CCNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O)CCC(F)(F)F ZINC000427217709 532178944 /nfs/dbraw/zinc/17/89/44/532178944.db2.gz RQTCMLCDQWZMLY-ZDUSSCGKSA-N 1 0 387.468 1.437 20 0 GDADRO O=S(=O)(N[C@@H]1CCCC[NH2+]C1)c1cccc(I)c1 ZINC000332315606 532179917 /nfs/dbraw/zinc/17/99/17/532179917.db2.gz NVCFWNUAGKYQBX-LLVKDONJSA-N 1 0 380.251 1.712 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(n3cc(Br)cn3)CC2)[C@@H](C)C[NH2+]1 ZINC000332375891 532183154 /nfs/dbraw/zinc/18/31/54/532183154.db2.gz GGSVNZQARPFWJI-NEPJUHHUSA-N 1 0 398.305 1.018 20 0 GDADRO CS[C@@H]1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000274079912 532184048 /nfs/dbraw/zinc/18/40/48/532184048.db2.gz QMSKLAKWZHRBGU-ZWKOTPCHSA-N 1 0 383.583 1.949 20 0 GDADRO CC(C)[C@@H](CCO)[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000274076379 532184260 /nfs/dbraw/zinc/18/42/60/532184260.db2.gz RYQYLUXURYSOTD-CYBMUJFWSA-N 1 0 386.290 1.500 20 0 GDADRO Cc1nc(Cl)ccc1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000286924138 532185794 /nfs/dbraw/zinc/18/57/94/532185794.db2.gz PJFLFOVYQVLFQL-UHFFFAOYSA-N 1 0 388.921 1.122 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2ncc(Br)cc2Br)CCCO1 ZINC000332231496 532172867 /nfs/dbraw/zinc/17/28/67/532172867.db2.gz OYCXGUSMQGPMGI-VIFPVBQESA-N 1 0 393.079 1.796 20 0 GDADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000332249664 532175155 /nfs/dbraw/zinc/17/51/55/532175155.db2.gz XVVHHEZSQBZAFL-ZDUSSCGKSA-N 1 0 377.304 1.804 20 0 GDADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332258804 532175939 /nfs/dbraw/zinc/17/59/39/532175939.db2.gz DBTJVAQSKIEZDK-BDAKNGLRSA-N 1 0 388.212 1.734 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)s1 ZINC000427162195 532176950 /nfs/dbraw/zinc/17/69/50/532176950.db2.gz JJLSULNBTSDQCD-ZDUSSCGKSA-N 1 0 387.527 1.113 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000287034640 532191549 /nfs/dbraw/zinc/19/15/49/532191549.db2.gz VSZGCFHGZXCTGT-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO C[C@H]1C[C@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[N@@H+]1C ZINC000332512998 532191834 /nfs/dbraw/zinc/19/18/34/532191834.db2.gz VPPVKUMFDOUPCK-WCQYABFASA-N 1 0 393.285 1.758 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000332534535 532193070 /nfs/dbraw/zinc/19/30/70/532193070.db2.gz SPCWOBONYKYVSE-CQSZACIVSA-N 1 0 386.905 1.108 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000376056762 532194428 /nfs/dbraw/zinc/19/44/28/532194428.db2.gz LYGMQOHRPGLYKF-WCQYABFASA-N 1 0 391.335 1.580 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332552617 532194453 /nfs/dbraw/zinc/19/44/53/532194453.db2.gz KQVXNHZOIAQGCN-ZYHUDNBSSA-N 1 0 399.232 1.440 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000332552613 532194480 /nfs/dbraw/zinc/19/44/80/532194480.db2.gz KQVXNHZOIAQGCN-CMPLNLGQSA-N 1 0 399.232 1.440 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000427944900 532194620 /nfs/dbraw/zinc/19/46/20/532194620.db2.gz IKSRUPAKOWPLOW-AWEZNQCLSA-N 1 0 391.559 1.513 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)nc12 ZINC000274214203 532195276 /nfs/dbraw/zinc/19/52/76/532195276.db2.gz NTWFNQSKJFLHPG-MRXNPFEDSA-N 1 0 398.305 1.517 20 0 GDADRO O=C(Nc1cccc(I)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332576470 532196600 /nfs/dbraw/zinc/19/66/00/532196600.db2.gz YQNMFODQFZDVOI-WDEREUQCSA-N 1 0 399.232 1.298 20 0 GDADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000428057886 532196674 /nfs/dbraw/zinc/19/66/74/532196674.db2.gz JQDGFKLFFILWNS-NVXWUHKLSA-N 1 0 393.329 1.534 20 0 GDADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000376143665 532197000 /nfs/dbraw/zinc/19/70/00/532197000.db2.gz MCRVLOMQBQXMRB-CQSZACIVSA-N 1 0 385.917 1.601 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1(c2cncc(Br)c2)CC1 ZINC000376135256 532197057 /nfs/dbraw/zinc/19/70/57/532197057.db2.gz QOZRRYATKRGQJG-GJZGRUSLSA-N 1 0 380.286 1.855 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)N1CCc2sccc2C1 ZINC000332589839 532198323 /nfs/dbraw/zinc/19/83/23/532198323.db2.gz LKXGJNPBCVISMV-QEJZJMRPSA-N 1 0 385.555 1.471 20 0 GDADRO CN(CC[N@H+](C)C1CC1)c1c(F)cc(S(N)(=O)=O)cc1Br ZINC000428194465 532200411 /nfs/dbraw/zinc/20/04/11/532200411.db2.gz FMGWZBFSICHKQY-UHFFFAOYSA-N 1 0 380.283 1.766 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)CC[NH2+]1 ZINC000332433589 532185878 /nfs/dbraw/zinc/18/58/78/532185878.db2.gz ACSAPWHFMJDAKL-YPMHNXCESA-N 1 0 380.286 1.591 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000332479200 532189261 /nfs/dbraw/zinc/18/92/61/532189261.db2.gz LWYRXKNHJSCTNW-BMIGLBTASA-N 1 0 398.276 1.587 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)[C@H](C)C[NH+]3CCOCC3)nc12 ZINC000274146752 532189329 /nfs/dbraw/zinc/18/93/29/532189329.db2.gz FHGHTFHWLNMTND-CYBMUJFWSA-N 1 0 395.301 1.990 20 0 GDADRO Cc1nn(C)c(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1Br ZINC000375922215 532189467 /nfs/dbraw/zinc/18/94/67/532189467.db2.gz YGAZPRWBOLHXKN-BMIGLBTASA-N 1 0 384.278 1.301 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)C[C@H](C)[NH2+]1 ZINC000332621519 532200935 /nfs/dbraw/zinc/20/09/35/532200935.db2.gz FBGBMESVRCDCCH-GUTXKFCHSA-N 1 0 394.313 1.974 20 0 GDADRO Cc1nc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(Br)n1C ZINC000376320091 532206774 /nfs/dbraw/zinc/20/67/74/532206774.db2.gz GQUSTZJBNQMHBU-PWSUYJOCSA-N 1 0 391.335 1.738 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000376344283 532208027 /nfs/dbraw/zinc/20/80/27/532208027.db2.gz PNTNIVISTNLNDL-PBHICJAKSA-N 1 0 386.539 1.479 20 0 GDADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000332737465 532208289 /nfs/dbraw/zinc/20/82/89/532208289.db2.gz WZWKJCMJDIUKMR-ILXRZTDVSA-N 1 0 377.576 1.085 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)NCCn2cc(Br)cn2)CC1 ZINC000287316435 532208536 /nfs/dbraw/zinc/20/85/36/532208536.db2.gz FFVWDQHQRUMCSA-UHFFFAOYSA-N 1 0 388.310 1.446 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000287327598 532209188 /nfs/dbraw/zinc/20/91/88/532209188.db2.gz FTUQMIYZUARFIM-GFCCVEGCSA-N 1 0 384.274 1.652 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000332775719 532209434 /nfs/dbraw/zinc/20/94/34/532209434.db2.gz KNWONRBKFQBPMV-GJZGRUSLSA-N 1 0 385.555 1.749 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000428511948 532209525 /nfs/dbraw/zinc/20/95/25/532209525.db2.gz BKOXZUHBELWGMT-LLVKDONJSA-N 1 0 386.265 1.905 20 0 GDADRO CS(=O)(=O)c1csc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000428540857 532209957 /nfs/dbraw/zinc/20/99/57/532209957.db2.gz DAIJHRJIQOKBJC-CQSZACIVSA-N 1 0 380.491 1.971 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000428563313 532210976 /nfs/dbraw/zinc/21/09/76/532210976.db2.gz VDBUVJGWOADOGZ-LBPRGKRZSA-N 1 0 378.336 1.975 20 0 GDADRO Cc1cc(Br)oc1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428603743 532212727 /nfs/dbraw/zinc/21/27/27/532212727.db2.gz RQXNPTMTSZBDCW-GFCCVEGCSA-N 1 0 384.274 1.635 20 0 GDADRO O=C(c1ccc(F)cc1Br)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428621388 532213545 /nfs/dbraw/zinc/21/35/45/532213545.db2.gz JDSWHEVFTNQLQR-GFCCVEGCSA-N 1 0 398.276 1.872 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1nccn2c(Br)cnc12 ZINC000274499426 532214559 /nfs/dbraw/zinc/21/45/59/532214559.db2.gz UNBWIIQRLVWZAD-LBPRGKRZSA-N 1 0 395.305 1.248 20 0 GDADRO C[NH+]1CCC(NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000428681557 532215259 /nfs/dbraw/zinc/21/52/59/532215259.db2.gz NYVKJCIRIZXFGV-CQSZACIVSA-N 1 0 384.318 1.994 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@H]1[NH+]1CCCC1 ZINC000333060238 532217944 /nfs/dbraw/zinc/21/79/44/532217944.db2.gz BAYDHVKDQHXXQM-CHWSQXEVSA-N 1 0 398.476 1.646 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000332645931 532203631 /nfs/dbraw/zinc/20/36/31/532203631.db2.gz YAPGTHGMVQGPAG-UHFFFAOYSA-N 1 0 398.276 1.683 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000332661455 532204544 /nfs/dbraw/zinc/20/45/44/532204544.db2.gz KQBNPVCZBRAARN-OCCSQVGLSA-N 1 0 380.286 1.585 20 0 GDADRO CC1(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C[NH2+]C1 ZINC000333247319 532227410 /nfs/dbraw/zinc/22/74/10/532227410.db2.gz FZWMUVUYQQYTNL-UHFFFAOYSA-N 1 0 392.308 1.436 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)CCc2scnc2C)C[C@@H]1[NH+]1CCCC1 ZINC000333268259 532227913 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C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000429654770 532231533 /nfs/dbraw/zinc/23/15/33/532231533.db2.gz RJYOPFVHTPXTIP-DFBGVHRSSA-N 1 0 380.286 1.920 20 0 GDADRO C[C@H]([NH3+])CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000429726824 532232744 /nfs/dbraw/zinc/23/27/44/532232744.db2.gz AIMIRNINEPLWFE-JTQLQIEISA-N 1 0 380.297 1.564 20 0 GDADRO CCC[C@](C)([NH3+])C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000429733000 532233207 /nfs/dbraw/zinc/23/32/07/532233207.db2.gz AEXVEGJOHUXAFZ-INIZCTEOSA-N 1 0 375.441 1.315 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCCc1nc(C(F)(F)F)cs1)[N@H+](C)C1CC1 ZINC000287682867 532233789 /nfs/dbraw/zinc/23/37/89/532233789.db2.gz DHNBZARLIIFBBO-VIFPVBQESA-N 1 0 378.420 1.420 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333422451 532234469 /nfs/dbraw/zinc/23/44/69/532234469.db2.gz SSVOQODIFBIHGR-STQMWFEESA-N 1 0 395.301 1.947 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)CC[N@H+](C)C2CC2)ccc1Cl ZINC000274604864 532219674 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O=C(COC1C[NH2+]C1)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000430699869 532255121 /nfs/dbraw/zinc/25/51/21/532255121.db2.gz JPHDNFLUNZMJLX-NSHDSACASA-N 1 0 397.273 1.010 20 0 GDADRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430705614 532255146 /nfs/dbraw/zinc/25/51/46/532255146.db2.gz LNIKPIDVXPLCCV-QWRGUYRKSA-N 1 0 395.319 1.799 20 0 GDADRO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430753103 532255847 /nfs/dbraw/zinc/25/58/47/532255847.db2.gz JGLMBAZFDWTKQY-IONNQARKSA-N 1 0 387.246 1.763 20 0 GDADRO C[C@@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000430939713 532258666 /nfs/dbraw/zinc/25/86/66/532258666.db2.gz MCTNKGCRRVIGHF-DGCLKSJQSA-N 1 0 383.290 1.173 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000333933623 532259032 /nfs/dbraw/zinc/25/90/32/532259032.db2.gz HVRJQPTXNNWSTI-TZMCWYRMSA-N 1 0 384.274 1.950 20 0 GDADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333947956 532259151 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Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)n2)s1 ZINC000288975568 532312880 /nfs/dbraw/zinc/31/28/80/532312880.db2.gz YAZSJOJKMUUHJA-INIZCTEOSA-N 1 0 382.511 1.547 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275873594 532313554 /nfs/dbraw/zinc/31/35/54/532313554.db2.gz PYJVRDSAEXSLEH-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000289053571 532314396 /nfs/dbraw/zinc/31/43/96/532314396.db2.gz BLYMGRXCULCAJO-GFCCVEGCSA-N 1 0 383.543 1.353 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000275924771 532314861 /nfs/dbraw/zinc/31/48/61/532314861.db2.gz UNBJJBORCRSHQA-UHFFFAOYSA-N 1 0 392.681 1.783 20 0 GDADRO CSc1nsc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)n1 ZINC000289080280 532315377 /nfs/dbraw/zinc/31/53/77/532315377.db2.gz NUAOSSRFGKQYRY-FGWVZKOKSA-N 1 0 384.531 1.465 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000276014077 532317251 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CS(=O)(=O)c1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000290027772 532335459 /nfs/dbraw/zinc/33/54/59/532335459.db2.gz FTSSDYPFEOPEKQ-RYUDHWBXSA-N 1 0 387.299 1.534 20 0 GDADRO COC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)CC1(C)C ZINC000359864784 206265119 /nfs/dbraw/zinc/26/51/19/206265119.db2.gz CIUHMHWBHMTAQA-GOEBONIOSA-N 1 0 392.496 1.882 20 0 GDADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000359909333 206269047 /nfs/dbraw/zinc/26/90/47/206269047.db2.gz YVUPOJPMQIMDNI-QGZVFWFLSA-N 1 0 399.491 1.566 20 0 GDADRO O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000359956003 206273782 /nfs/dbraw/zinc/27/37/82/206273782.db2.gz KFDZHCUHANEOII-INIZCTEOSA-N 1 0 390.459 1.298 20 0 GDADRO CC(C)NC(=O)CN(C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000007796291 206724488 /nfs/dbraw/zinc/72/44/88/206724488.db2.gz YNYDYTOBAJSBGW-UHFFFAOYSA-N 1 0 396.535 1.940 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737023433 598848829 /nfs/dbraw/zinc/84/88/29/598848829.db2.gz FSPLALGGECLTKE-AWEZNQCLSA-N 1 0 386.456 1.198 20 0 GDADRO CCOC(=O)C1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736594238 598849601 /nfs/dbraw/zinc/84/96/01/598849601.db2.gz PMMAUZSETOZEGJ-UHFFFAOYSA-N 1 0 396.455 1.666 20 0 GDADRO COC(=O)[C@H](C)C[N@H+](Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000736894252 598850692 /nfs/dbraw/zinc/85/06/92/598850692.db2.gz UCRPYELQTISTCW-GFCCVEGCSA-N 1 0 396.455 1.665 20 0 GDADRO CCOCC[N@@H+]1CCN([C@@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736621087 598861909 /nfs/dbraw/zinc/86/19/09/598861909.db2.gz ZBMRAKYSXJBYNR-WMLDXEAASA-N 1 0 388.472 1.123 20 0 GDADRO COC(=O)[C@@H]1CC12CC[NH+]([C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)CC2 ZINC000736909575 598873188 /nfs/dbraw/zinc/87/31/88/598873188.db2.gz QWLRGEVYTWQKAG-OCCSQVGLSA-N 1 0 384.440 1.469 20 0 GDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736252609 598874249 /nfs/dbraw/zinc/87/42/49/598874249.db2.gz QQZWIRIHBFOLIJ-RYUDHWBXSA-N 1 0 382.465 1.547 20 0 GDADRO O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000571268167 598876543 /nfs/dbraw/zinc/87/65/43/598876543.db2.gz ADFKIGWOKMFTCD-GFCCVEGCSA-N 1 0 396.904 1.627 20 0 GDADRO C[NH+](C)CC1CCN(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1 ZINC000736762888 598911379 /nfs/dbraw/zinc/91/13/79/598911379.db2.gz LBZMIASKNXNFBU-UHFFFAOYSA-N 1 0 395.471 1.048 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736769938 598911742 /nfs/dbraw/zinc/91/17/42/598911742.db2.gz XPJIHUUVDBAVCY-FPLPWBNLSA-N 1 0 383.500 1.270 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000736859380 598936546 /nfs/dbraw/zinc/93/65/46/598936546.db2.gz GQDLXYNUVLKGKJ-OAHLLOKOSA-N 1 0 393.499 1.416 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000737297240 598951891 /nfs/dbraw/zinc/95/18/91/598951891.db2.gz FQOXSUHRJOMTLE-UHFFFAOYSA-N 1 0 378.502 1.718 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000737297311 598954857 /nfs/dbraw/zinc/95/48/57/598954857.db2.gz HRVCVDXOJRKPDC-AWEZNQCLSA-N 1 0 378.502 1.574 20 0 GDADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)CC1 ZINC000736456198 598954320 /nfs/dbraw/zinc/95/43/20/598954320.db2.gz FGXPSPNFWTZFRU-UHFFFAOYSA-N 1 0 378.502 1.718 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000738102368 598974250 /nfs/dbraw/zinc/97/42/50/598974250.db2.gz QOBWTLSLCDJALI-QGZVFWFLSA-N 1 0 385.472 1.309 20 0 GDADRO CCOC(=O)C1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000736595641 598980291 /nfs/dbraw/zinc/98/02/91/598980291.db2.gz WHXBCBLFJCZPOE-UHFFFAOYSA-N 1 0 375.429 1.529 20 0 GDADRO Cn1cc(CC[NH+]2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)cn1 ZINC000737603334 598985544 /nfs/dbraw/zinc/98/55/44/598985544.db2.gz YMFHMJMDMYBJEG-UHFFFAOYSA-N 1 0 389.467 1.513 20 0 GDADRO CCOCC[N@@H+]1CCN(CCOc2ccc(-c3nn[nH]n3)cc2OC)C[C@@H]1C ZINC000736619019 598985648 /nfs/dbraw/zinc/98/56/48/598985648.db2.gz ONYUAUBOYZFOBC-HNNXBMFYSA-N 1 0 390.488 1.297 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000736988926 598990381 /nfs/dbraw/zinc/99/03/81/598990381.db2.gz XHYWHPQRPLIFHK-STQMWFEESA-N 1 0 389.504 1.990 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000737222025 599003782 /nfs/dbraw/zinc/00/37/82/599003782.db2.gz SSUFPIAYRWITSK-HNNXBMFYSA-N 1 0 376.486 1.424 20 0 GDADRO CN(C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736853292 599010301 /nfs/dbraw/zinc/01/03/01/599010301.db2.gz VEAHOCJSMCOEJY-KRWDZBQOSA-N 1 0 384.488 1.499 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C=Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736855383 599034487 /nfs/dbraw/zinc/03/44/87/599034487.db2.gz GIIURZKIQUNBID-IJDCCNJMSA-N 1 0 381.484 1.118 20 0 GDADRO CCC[N@H+](C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736472640 599040959 /nfs/dbraw/zinc/04/09/59/599040959.db2.gz RDMWSZJCRDCLAM-CQSZACIVSA-N 1 0 389.485 1.049 20 0 GDADRO O[C@]1(CNc2ncc(-c3nn[nH]n3)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000738391158 599045645 /nfs/dbraw/zinc/04/56/45/599045645.db2.gz WQMRXOKXSUWWGA-SFHVURJKSA-N 1 0 385.859 1.964 20 0 GDADRO O[C@@]1(CNc2ncc(-c3nn[nH]n3)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000738391154 599046056 /nfs/dbraw/zinc/04/60/56/599046056.db2.gz WQMRXOKXSUWWGA-GOSISDBHSA-N 1 0 385.859 1.964 20 0 GDADRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cn3ccccc3c1-c1nn[nH]n1)CC2 ZINC000736612187 599049402 /nfs/dbraw/zinc/04/94/02/599049402.db2.gz LQZXPXWIJUAKOM-IRXDYDNUSA-N 1 0 382.468 1.871 20 0 GDADRO C[C@H](O)C[NH+]1CCC(CN(C)c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736148637 599054106 /nfs/dbraw/zinc/05/41/06/599054106.db2.gz QWPKLKLFUGHWDL-NSHDSACASA-N 1 0 399.421 1.810 20 0 GDADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000737738427 599070865 /nfs/dbraw/zinc/07/08/65/599070865.db2.gz JCSLPJPPTBOSQI-GOSISDBHSA-N 1 0 377.452 1.605 20 0 GDADRO NC(=O)[C@H]([NH2+]CCCOCCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737739259 599095076 /nfs/dbraw/zinc/09/50/76/599095076.db2.gz XQMBLZCUZLUOPA-GOSISDBHSA-N 1 0 380.452 1.632 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)NCCNc1ncccc1-c1nn[nH]n1)C(C)(C)C ZINC000736758906 599183798 /nfs/dbraw/zinc/18/37/98/599183798.db2.gz KFNZKPYHDTVUFP-CQSZACIVSA-N 1 0 389.508 1.339 20 0 GDADRO CCOCC[N@@H+]1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1CC ZINC000736618975 599201648 /nfs/dbraw/zinc/20/16/48/599201648.db2.gz OEEGIJMNYBGFTA-KRWDZBQOSA-N 1 0 387.488 1.238 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000737023876 599226418 /nfs/dbraw/zinc/22/64/18/599226418.db2.gz HTQAIAMRLFLTMD-UKRRQHHQSA-N 1 0 386.456 1.339 20 0 GDADRO CC[C@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)CC[N@@H+]1CCOC ZINC000736406631 599240754 /nfs/dbraw/zinc/24/07/54/599240754.db2.gz BCODGEDPLQKLBT-AWEZNQCLSA-N 1 0 389.460 1.450 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)cccc1-c1nn[nH]n1 ZINC000822043667 607275973 /nfs/dbraw/zinc/27/59/73/607275973.db2.gz FPKSASRPTCKUHB-JKSUJKDBSA-N 1 0 383.456 1.199 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cccc1-c1nn[nH]n1 ZINC000822045040 607279740 /nfs/dbraw/zinc/27/97/40/607279740.db2.gz OEQBECDZYYHCMZ-XJKSGUPXSA-N 1 0 383.456 1.056 20 0 GDADRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1 ZINC000821189534 607302988 /nfs/dbraw/zinc/30/29/88/607302988.db2.gz OEBDQZCKWKUZMT-LBPRGKRZSA-N 1 0 381.506 1.437 20 0 GDADRO O=C(CCCC(=O)Nc1ccccc1-c1nn[nH]n1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000822954770 607300308 /nfs/dbraw/zinc/30/03/08/607300308.db2.gz CGNBGBAFXIJOOU-CQSZACIVSA-N 1 0 397.483 1.576 20 0 GDADRO CCN1CC[NH+](CCCCNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000821267764 607300447 /nfs/dbraw/zinc/30/04/47/607300447.db2.gz QOCJKNFBOJBYOR-UHFFFAOYSA-N 1 0 392.895 1.063 20 0 GDADRO Cc1nc(CN(C)[C@@H]2CC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC000737471336 599289753 /nfs/dbraw/zinc/28/97/53/599289753.db2.gz HQZRHILJDCJZMX-OAHLLOKOSA-N 1 0 384.444 1.143 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820129325 607325314 /nfs/dbraw/zinc/32/53/14/607325314.db2.gz ZJIOHVUTNSXVQE-FQEVSTJZSA-N 1 0 399.543 1.391 20 0 GDADRO NC(=O)[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850671 607326122 /nfs/dbraw/zinc/32/61/22/607326122.db2.gz MTIYFHCTFXEPQO-CABCVRRESA-N 1 0 388.497 1.428 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1F)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000823319842 607338203 /nfs/dbraw/zinc/33/82/03/607338203.db2.gz ZXZQSBBHZGAUJL-CYBMUJFWSA-N 1 0 387.419 1.031 20 0 GDADRO C[C@@H]([N@H+](C)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C(C)(C)C ZINC000736095530 598232116 /nfs/dbraw/zinc/23/21/16/598232116.db2.gz GAZHDUOCGMKRCJ-CWTRNNRKSA-N 1 0 385.472 1.958 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000737033778 598238366 /nfs/dbraw/zinc/23/83/66/598238366.db2.gz TYHITBSTDHVVMU-AWEZNQCLSA-N 1 0 388.472 1.444 20 0 GDADRO CC[NH+](CC)[C@H](C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1)c1ccccc1 ZINC000736535377 598258356 /nfs/dbraw/zinc/25/83/56/598258356.db2.gz XDMAIAPXFBPMPO-SFHVURJKSA-N 1 0 394.483 1.873 20 0 GDADRO O[C@@H](COc1ccccc1F)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738387823 598274145 /nfs/dbraw/zinc/27/41/45/598274145.db2.gz PQDDXCRSOPYXKT-OAHLLOKOSA-N 1 0 398.442 1.568 20 0 GDADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCN1CC[NH+](CC)CC1 ZINC000736479014 598285158 /nfs/dbraw/zinc/28/51/58/598285158.db2.gz HLESDXZUUACNEL-UHFFFAOYSA-N 1 0 385.516 1.633 20 0 GDADRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736412806 598300619 /nfs/dbraw/zinc/30/06/19/598300619.db2.gz QGRVZMRCWLPZEJ-HNNXBMFYSA-N 1 0 399.499 1.824 20 0 GDADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CCCCNC1=O ZINC000736793201 598310110 /nfs/dbraw/zinc/31/01/10/598310110.db2.gz TZLNKHQCJQCYIN-AWEZNQCLSA-N 1 0 391.863 1.449 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736758645 598326456 /nfs/dbraw/zinc/32/64/56/598326456.db2.gz HRFMWXZXFFPMPW-UHFFFAOYSA-N 1 0 375.452 1.879 20 0 GDADRO CN(c1cccnn1)C1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000736842869 598340257 /nfs/dbraw/zinc/34/02/57/598340257.db2.gz GLOCPUCBNUGAMC-UHFFFAOYSA-N 1 0 380.456 1.636 20 0 GDADRO CCOCC[N@@H+]1CCN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC000736617763 598345094 /nfs/dbraw/zinc/34/50/94/598345094.db2.gz HDKBFWMBSJNACE-OAHLLOKOSA-N 1 0 387.488 1.238 20 0 GDADRO Cc1nc(CN2CCC[C@@H]([N@H+](C)Cc3cc(-c4nn[nH]n4)ccc3F)C2)no1 ZINC000737478446 598347608 /nfs/dbraw/zinc/34/76/08/598347608.db2.gz SCUULZYMRLDNDO-OAHLLOKOSA-N 1 0 386.435 1.794 20 0 GDADRO Cc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500056 598355311 /nfs/dbraw/zinc/35/53/11/598355311.db2.gz NJXWIFNMCIXPQF-DLBZAZTESA-N 1 0 383.456 1.448 20 0 GDADRO CC[C@@H]1CN(CCC(=O)Nc2sccc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](C)O ZINC000736411245 598366836 /nfs/dbraw/zinc/36/68/36/598366836.db2.gz PUZOICDPZWJHHX-CHWSQXEVSA-N 1 0 393.517 1.034 20 0 GDADRO CC1(C)CC[NH+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000736212064 598385099 /nfs/dbraw/zinc/38/50/99/598385099.db2.gz WITCTBBVZYVUCC-UHFFFAOYSA-N 1 0 383.456 1.710 20 0 GDADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736226815 598404421 /nfs/dbraw/zinc/40/44/21/598404421.db2.gz YIYLXXBLINIOFC-RBSFLKMASA-N 1 0 399.499 1.079 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000736987329 598428456 /nfs/dbraw/zinc/42/84/56/598428456.db2.gz AQHPTXVVOKGDFC-UHFFFAOYSA-N 1 0 389.504 1.755 20 0 GDADRO CCC[NH+]1CCC(N(C)C(=O)NCCNc2ncccc2-c2nn[nH]n2)CC1 ZINC000736480373 598429842 /nfs/dbraw/zinc/42/98/42/598429842.db2.gz OCVCPNITDDLMEM-UHFFFAOYSA-N 1 0 387.492 1.189 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CCCC1 ZINC000736755595 598434402 /nfs/dbraw/zinc/43/44/02/598434402.db2.gz AUVHQNFUNDDONE-UHFFFAOYSA-N 1 0 395.471 1.239 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000736263954 598434609 /nfs/dbraw/zinc/43/46/09/598434609.db2.gz AAXFJGQOILIUJK-CYBMUJFWSA-N 1 0 395.471 1.096 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000737009260 598434669 /nfs/dbraw/zinc/43/46/69/598434669.db2.gz YTXWKUCUAIZWPD-LLVKDONJSA-N 1 0 381.893 1.527 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736567662 598438020 /nfs/dbraw/zinc/43/80/20/598438020.db2.gz DEYNVUALRFNUTO-UHFFFAOYSA-N 1 0 378.440 1.656 20 0 GDADRO NC(=O)[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(F)cc1 ZINC000737732567 598464678 /nfs/dbraw/zinc/46/46/78/598464678.db2.gz ZSHDJQFNNDSCMN-SFHVURJKSA-N 1 0 395.442 1.791 20 0 GDADRO c1cc2c(c(C[NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)c1)OCO2 ZINC000738410345 598467156 /nfs/dbraw/zinc/46/71/56/598467156.db2.gz KBVGOTAFDPJCEJ-UHFFFAOYSA-N 1 0 379.424 1.749 20 0 GDADRO O=C1C[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738302174 598472614 /nfs/dbraw/zinc/47/26/14/598472614.db2.gz VFZYSMRRORRQNL-IAGOWNOFSA-N 1 0 395.467 1.059 20 0 GDADRO c1nn2cc(CN[C@H](C[NH+]3CCCC3)c3ccccc3)cnc2c1-c1nn[nH]n1 ZINC000738425968 598494058 /nfs/dbraw/zinc/49/40/58/598494058.db2.gz QHQUIBTTXDMQPW-GOSISDBHSA-N 1 0 389.467 1.836 20 0 GDADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000735736014 598497468 /nfs/dbraw/zinc/49/74/68/598497468.db2.gz RHGIOPSPXMFZRP-CRAIPNDOSA-N 1 0 384.484 1.871 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000738146262 598497949 /nfs/dbraw/zinc/49/79/49/598497949.db2.gz VSHXFZMQLDTUJC-LBPRGKRZSA-N 1 0 389.847 1.059 20 0 GDADRO C[N@H+](CCNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000736799701 598507298 /nfs/dbraw/zinc/50/72/98/598507298.db2.gz DTYJTFABPOHUDR-UHFFFAOYSA-N 1 0 378.502 1.551 20 0 GDADRO CCOc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000736643313 598522115 /nfs/dbraw/zinc/52/21/15/598522115.db2.gz GZYXBQUQYBZXTR-CYBMUJFWSA-N 1 0 384.444 1.302 20 0 GDADRO CCCOCc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736488187 598523261 /nfs/dbraw/zinc/52/32/61/598523261.db2.gz LTLYMFYEWCPABZ-AWEZNQCLSA-N 1 0 382.472 1.821 20 0 GDADRO FC(F)(F)CO[C@@H]1CCC[N@H+](C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000737628426 598523523 /nfs/dbraw/zinc/52/35/23/598523523.db2.gz VQVOCTUOHUXGEB-GHMZBOCLSA-N 1 0 386.382 1.148 20 0 GDADRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735984600 598527578 /nfs/dbraw/zinc/52/75/78/598527578.db2.gz BRJQRERVXUFNJG-JSGCOSHPSA-N 1 0 396.455 1.445 20 0 GDADRO CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+]C[C@H]1CNc3c(-c4nn[nH]n4)cnn3C1)C2 ZINC000735652971 598527596 /nfs/dbraw/zinc/52/75/96/598527596.db2.gz ZRMLWSIZZDFSER-STQMWFEESA-N 1 0 396.503 1.204 20 0 GDADRO Brc1ccsc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735375953 598530022 /nfs/dbraw/zinc/53/00/22/598530022.db2.gz UPPNGUIIBWHNRF-QMMMGPOBSA-N 1 0 395.290 1.719 20 0 GDADRO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000738038488 598530598 /nfs/dbraw/zinc/53/05/98/598530598.db2.gz JLLKKZZDNIQAJV-QGZVFWFLSA-N 1 0 397.483 1.073 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCCc1c[nH]c3ccccc13)C2 ZINC000738433969 598532840 /nfs/dbraw/zinc/53/28/40/598532840.db2.gz XPUYCAPMBULXCU-ZDUSSCGKSA-N 1 0 377.456 1.809 20 0 GDADRO C[NH+](C)CCc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736770580 598556010 /nfs/dbraw/zinc/55/60/10/598556010.db2.gz ASIXUEFMAGGPJW-UHFFFAOYSA-N 1 0 393.451 1.339 20 0 GDADRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736659588 598558327 /nfs/dbraw/zinc/55/83/27/598558327.db2.gz UIRKXFHTABQVBI-UHFFFAOYSA-N 1 0 382.465 1.252 20 0 GDADRO COC(=O)[C@H](C)C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C1CC1 ZINC000736894980 598563775 /nfs/dbraw/zinc/56/37/75/598563775.db2.gz WUCCJUKAVQTPHG-SNVBAGLBSA-N 1 0 378.458 1.530 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C1 ZINC000736756006 598600029 /nfs/dbraw/zinc/60/00/29/598600029.db2.gz GAUQWUDZIGZWPX-ZDUSSCGKSA-N 1 0 382.424 1.815 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C1 ZINC000736756005 598600377 /nfs/dbraw/zinc/60/03/77/598600377.db2.gz GAUQWUDZIGZWPX-CYBMUJFWSA-N 1 0 382.424 1.815 20 0 GDADRO O=C(CC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)Nc1ccccc1-c1nn[nH]n1 ZINC000737844871 598618479 /nfs/dbraw/zinc/61/84/79/598618479.db2.gz WUQXKCHYWPMZEB-OCCSQVGLSA-N 1 0 384.362 1.583 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000736287442 598664309 /nfs/dbraw/zinc/66/43/09/598664309.db2.gz PDGHSPIRKLBSTD-OKILXGFUSA-N 1 0 390.513 1.574 20 0 GDADRO Cc1nnc(N2CC[N@H+](C[C@@H](O)c3ccccc3)[C@@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000737520082 598673392 /nfs/dbraw/zinc/67/33/92/598673392.db2.gz HOUATYZXXQDXKG-SUMWQHHRSA-N 1 0 394.483 1.518 20 0 GDADRO Cc1nc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737472580 598685671 /nfs/dbraw/zinc/68/56/71/598685671.db2.gz VDDJLCBGMHSPTN-AWEZNQCLSA-N 1 0 396.455 1.841 20 0 GDADRO O=C(c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000738270009 598689888 /nfs/dbraw/zinc/68/98/88/598689888.db2.gz OBTYHZVXJHKFSW-INIZCTEOSA-N 1 0 391.435 1.974 20 0 GDADRO CC[N@H+](C)[C@H](C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1)c1ccccc1 ZINC000736510070 598698752 /nfs/dbraw/zinc/69/87/52/598698752.db2.gz QHTIQUWFVLVILJ-KRWDZBQOSA-N 1 0 380.456 1.483 20 0 GDADRO CNC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736869820 598705108 /nfs/dbraw/zinc/70/51/08/598705108.db2.gz CAFADRWDAFIZDD-NSHDSACASA-N 1 0 391.863 1.307 20 0 GDADRO C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N(C)Cc1ccccc1 ZINC000736025513 598711987 /nfs/dbraw/zinc/71/19/87/598711987.db2.gz LMELCRGCYFSHLW-GDBMZVCRSA-N 1 0 381.488 1.215 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000735856551 598723839 /nfs/dbraw/zinc/72/38/39/598723839.db2.gz KIYISTMXYSQVSD-UHFFFAOYSA-N 1 0 396.492 1.747 20 0 GDADRO Cn1ccnc1CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737616643 598726173 /nfs/dbraw/zinc/72/61/73/598726173.db2.gz UYZROFMHZVAJTJ-UHFFFAOYSA-N 1 0 395.471 1.018 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000736009590 598731722 /nfs/dbraw/zinc/73/17/22/598731722.db2.gz HLRXXCXHYITFIJ-CQSZACIVSA-N 1 0 393.451 1.442 20 0 GDADRO COC[C@@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736969196 598758109 /nfs/dbraw/zinc/75/81/09/598758109.db2.gz VUMVFVSKPTZUBP-FQEVSTJZSA-N 1 0 383.452 1.933 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736859916 598762012 /nfs/dbraw/zinc/76/20/12/598762012.db2.gz KCAOAKCATTWBFM-LSDHHAIUSA-N 1 0 387.419 1.030 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)C=Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736853689 598769657 /nfs/dbraw/zinc/76/96/57/598769657.db2.gz ZMCMKCBOOOOEFZ-WLMCBFPDSA-N 1 0 381.484 1.165 20 0 GDADRO Fc1cc(-c2nn[nH]n2)ccc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000737641147 598795952 /nfs/dbraw/zinc/79/59/52/598795952.db2.gz SXIKEOOOMFPHCG-UHFFFAOYSA-N 1 0 397.462 1.810 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736847772 598814520 /nfs/dbraw/zinc/81/45/20/598814520.db2.gz JWRMJUMHVYVYHQ-CYBMUJFWSA-N 1 0 382.424 1.720 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736406136 599301153 /nfs/dbraw/zinc/30/11/53/599301153.db2.gz JKBYOUTZSVBYQF-WBVHZDCISA-N 1 0 392.529 1.795 20 0 GDADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000736201409 599317149 /nfs/dbraw/zinc/31/71/49/599317149.db2.gz XXGCFVRLVBVEKL-ZDUSSCGKSA-N 1 0 376.428 1.188 20 0 GDADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC000735881259 599363467 /nfs/dbraw/zinc/36/34/67/599363467.db2.gz IGAYXXAMKYBDQH-MRXNPFEDSA-N 1 0 389.479 1.237 20 0 GDADRO Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)c2cc1C ZINC000737283783 599363937 /nfs/dbraw/zinc/36/39/37/599363937.db2.gz GQNXTRNXRJSRER-KRWDZBQOSA-N 1 0 377.452 1.984 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000820433352 599405645 /nfs/dbraw/zinc/40/56/45/599405645.db2.gz YAOKRBAEZLRSLO-LBPRGKRZSA-N 1 0 382.424 1.968 20 0 GDADRO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)ncn1 ZINC000821637544 599430714 /nfs/dbraw/zinc/43/07/14/599430714.db2.gz KLQOTPIYFSNLLM-AWEZNQCLSA-N 1 0 395.471 1.466 20 0 GDADRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)cc1-c1nn[nH]n1 ZINC000821804343 599434076 /nfs/dbraw/zinc/43/40/76/599434076.db2.gz LPVOZXLHUNRAKW-QGZVFWFLSA-N 1 0 380.452 1.664 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3cccc(-c4nn[nH]n4)n3)c2)C1 ZINC000737744697 599434873 /nfs/dbraw/zinc/43/48/73/599434873.db2.gz NAJWPCNDWAWBSN-INIZCTEOSA-N 1 0 392.467 1.571 20 0 GDADRO COc1ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)cc1-c1nn[nH]n1 ZINC000821810351 599437799 /nfs/dbraw/zinc/43/77/99/599437799.db2.gz YVOCDROORLUWLM-UHFFFAOYSA-N 1 0 386.500 2.000 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000735562206 599446811 /nfs/dbraw/zinc/44/68/11/599446811.db2.gz OHMVAYGBFCAAOQ-OAHLLOKOSA-N 1 0 399.499 1.238 20 0 GDADRO CO[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1 ZINC000821677071 599449121 /nfs/dbraw/zinc/44/91/21/599449121.db2.gz NTFJPOZXIZMSOZ-ABAIWWIYSA-N 1 0 388.863 1.736 20 0 GDADRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)C1CCCCC1 ZINC000821581475 599473695 /nfs/dbraw/zinc/47/36/95/599473695.db2.gz MGKOFBSHQXLXMO-INIZCTEOSA-N 1 0 393.517 1.437 20 0 GDADRO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000820710363 599476652 /nfs/dbraw/zinc/47/66/52/599476652.db2.gz PUXRNSSPPVRQDL-NEPJUHHUSA-N 1 0 379.490 1.046 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000738421245 599490153 /nfs/dbraw/zinc/49/01/53/599490153.db2.gz QFWGOZUUFYRLOG-UHFFFAOYSA-N 1 0 377.408 1.966 20 0 GDADRO COC(=O)COc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736930948 599490851 /nfs/dbraw/zinc/49/08/51/599490851.db2.gz KSONPNRXLJFTOD-UHFFFAOYSA-N 1 0 393.407 1.356 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000738420307 599491703 /nfs/dbraw/zinc/49/17/03/599491703.db2.gz DANPMAUAWUZGNO-UHFFFAOYSA-N 1 0 396.499 1.639 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738023162 599493398 /nfs/dbraw/zinc/49/33/98/599493398.db2.gz GRBJYTCERXVBSW-MRXNPFEDSA-N 1 0 396.499 1.183 20 0 GDADRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000736849704 599511089 /nfs/dbraw/zinc/51/10/89/599511089.db2.gz VZRNLFNAXMHGEH-UHFFFAOYSA-N 1 0 391.863 1.307 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000820481527 599533080 /nfs/dbraw/zinc/53/30/80/599533080.db2.gz WZNNZKOKOYNJLL-CQSZACIVSA-N 1 0 381.484 1.944 20 0 GDADRO CCOCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000821378775 599534398 /nfs/dbraw/zinc/53/43/98/599534398.db2.gz UCFUGQOAWBYONL-UHFFFAOYSA-N 1 0 389.410 1.852 20 0 GDADRO CC(C)(C)[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000819898998 599536064 /nfs/dbraw/zinc/53/60/64/599536064.db2.gz LYTMDSZIHVGJTP-QGZVFWFLSA-N 1 0 381.484 1.944 20 0 GDADRO COC(=O)CC[N@@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)CC(C)C ZINC000821661561 599570197 /nfs/dbraw/zinc/57/01/97/599570197.db2.gz OLZNXDHSPKWASP-UHFFFAOYSA-N 1 0 385.428 1.938 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000735562726 599585616 /nfs/dbraw/zinc/58/56/16/599585616.db2.gz QQPXUJDQPLVEFR-JKSUJKDBSA-N 1 0 399.499 1.380 20 0 GDADRO Cc1nsc(N2CCC[N@H+](CCOc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000822531323 599588403 /nfs/dbraw/zinc/58/84/03/599588403.db2.gz YOMWNQQKNPMPMC-UHFFFAOYSA-N 1 0 386.485 1.618 20 0 GDADRO O=C1[C@@H](N2CCC[C@@H]([NH+]3CCCC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292101 599590547 /nfs/dbraw/zinc/59/05/47/599590547.db2.gz WDKLFOFLCGAKOU-MJGOQNOKSA-N 1 0 395.511 1.922 20 0 GDADRO COc1cccc(OCCC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737141522 599598765 /nfs/dbraw/zinc/59/87/65/599598765.db2.gz MVYCOKXCEIZGNU-KRWDZBQOSA-N 1 0 382.424 1.460 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1-c1nn[nH]n1 ZINC000822312662 599602638 /nfs/dbraw/zinc/60/26/38/599602638.db2.gz HDDQDSODUDLZLP-VNHYZAJKSA-N 1 0 399.499 1.596 20 0 GDADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C)c2-c2nn[nH]n2)CC1 ZINC000821065896 599608772 /nfs/dbraw/zinc/60/87/72/599608772.db2.gz OIETUNAFNKNPFM-UHFFFAOYSA-N 1 0 385.472 1.494 20 0 GDADRO Cc1ccc(-c2nc(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)co2)cc1 ZINC000822214248 599647445 /nfs/dbraw/zinc/64/74/45/599647445.db2.gz WHPDUSPRSCFAEB-ZDUSSCGKSA-N 1 0 391.439 1.858 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823308468 599648303 /nfs/dbraw/zinc/64/83/03/599648303.db2.gz BFMDYQOLKVFIBN-UHFFFAOYSA-N 1 0 385.472 1.975 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820709068 599672586 /nfs/dbraw/zinc/67/25/86/599672586.db2.gz CNUUZJBKHQNEKR-GJZGRUSLSA-N 1 0 387.488 1.665 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)NCCNc2ncccc2-c2nn[nH]n2)CC1 ZINC000821242880 599672944 /nfs/dbraw/zinc/67/29/44/599672944.db2.gz XIXAOCQMADUTJJ-UHFFFAOYSA-N 1 0 387.492 1.095 20 0 GDADRO CCC[NH+]1CCC(N(C)C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821109905 599676971 /nfs/dbraw/zinc/67/69/71/599676971.db2.gz RVXVTAGMGSRPHA-UHFFFAOYSA-N 1 0 387.488 1.761 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821584760 599677042 /nfs/dbraw/zinc/67/70/42/599677042.db2.gz RHMKZPCTVNZSKP-UHFFFAOYSA-N 1 0 387.488 1.619 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596528 599694749 /nfs/dbraw/zinc/69/47/49/599694749.db2.gz MVCUMJCHZDROOJ-CQSZACIVSA-N 1 0 376.486 1.219 20 0 GDADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 ZINC000824776931 607394399 /nfs/dbraw/zinc/39/43/99/607394399.db2.gz FUUPNLLMSMQXOO-LBPRGKRZSA-N 1 0 396.459 1.342 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000273661539 599936922 /nfs/dbraw/zinc/93/69/22/599936922.db2.gz IEBZIIJZZMMTLZ-MRXNPFEDSA-N 1 0 397.541 1.730 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000819877423 607448503 /nfs/dbraw/zinc/44/85/03/607448503.db2.gz VSFRJZVNDSVJSF-VXGBXAGGSA-N 1 0 387.513 1.524 20 0 GDADRO C[NH+](C)CCN1CCC(NC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000825866387 607448660 /nfs/dbraw/zinc/44/86/60/607448660.db2.gz XXTSZZWJNTZVPF-UHFFFAOYSA-N 1 0 398.515 1.181 20 0 GDADRO Cc1oc(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c(-c2nn[nH]n2)c1C ZINC000822549190 607450019 /nfs/dbraw/zinc/45/00/19/607450019.db2.gz VGBHLZICPPKZRV-OAHLLOKOSA-N 1 0 387.488 1.965 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826159896 607457346 /nfs/dbraw/zinc/45/73/46/607457346.db2.gz WYOCXFNLWFDMIC-INIZCTEOSA-N 1 0 385.472 1.266 20 0 GDADRO C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000827796026 600796073 /nfs/dbraw/zinc/79/60/73/600796073.db2.gz JLUSZMQDLMAKCG-BBRMVZONSA-N 1 0 395.525 1.576 20 0 GDADRO O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823607728 607497261 /nfs/dbraw/zinc/49/72/61/607497261.db2.gz WRMOQWZAACCXSB-CZUORRHYSA-N 1 0 388.497 1.504 20 0 GDADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3sccc3-c3nn[nH]n3)nc2)C1 ZINC000821583226 607506151 /nfs/dbraw/zinc/50/61/51/607506151.db2.gz NCOPLLYSBQOEFR-GFCCVEGCSA-N 1 0 384.469 1.716 20 0 GDADRO COC[C@](C)(CC(=O)[O-])[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000831573731 601489229 /nfs/dbraw/zinc/48/92/29/601489229.db2.gz UTMHGRPULHLIFF-NRFANRHFSA-N 1 0 391.512 1.499 20 0 GDADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)n1 ZINC000826299078 607517184 /nfs/dbraw/zinc/51/71/84/607517184.db2.gz QGIBHXLSWPPJFK-OAHLLOKOSA-N 1 0 378.440 1.816 20 0 GDADRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000825914757 607525065 /nfs/dbraw/zinc/52/50/65/607525065.db2.gz MXYRRZHQZDCBQG-CYBMUJFWSA-N 1 0 386.485 2.000 20 0 GDADRO c1ccc2c(c1)CCCN2CC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826523160 607530163 /nfs/dbraw/zinc/53/01/63/607530163.db2.gz CSGNXZPBMTXKFV-UHFFFAOYSA-N 1 0 390.495 1.837 20 0 GDADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](CNC(=O)[O-])C2)CC1 ZINC000740183793 601938350 /nfs/dbraw/zinc/93/83/50/601938350.db2.gz LIXQGHLIUTYVJM-SFHVURJKSA-N 1 0 388.512 1.619 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cnc2n1CCCC2 ZINC000825866187 607565299 /nfs/dbraw/zinc/56/52/99/607565299.db2.gz SLZLJZJXVSHLFS-UHFFFAOYSA-N 1 0 394.483 1.604 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cnc2n1CCCC2 ZINC000825866419 607565300 /nfs/dbraw/zinc/56/53/00/607565300.db2.gz YDAZHKDJGQLLKU-UHFFFAOYSA-N 1 0 394.483 1.604 20 0 GDADRO COc1ccc(C[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)cc1-c1nn[nH]n1 ZINC000826202809 607567832 /nfs/dbraw/zinc/56/78/32/607567832.db2.gz NTDFXNDXCPAPLG-UHFFFAOYSA-N 1 0 398.471 1.044 20 0 GDADRO O=C([O-])N1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000740426250 602509559 /nfs/dbraw/zinc/50/95/59/602509559.db2.gz CHQANKIVSAOYOO-KRWDZBQOSA-N 1 0 375.473 1.242 20 0 GDADRO COc1ccc(CNC(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1-c1nn[nH]n1 ZINC000826198127 607574569 /nfs/dbraw/zinc/57/45/69/607574569.db2.gz NBFIELDYNZOISM-HIFRSBDPSA-N 1 0 385.472 1.644 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CCCCC1 ZINC000825851591 607576464 /nfs/dbraw/zinc/57/64/64/607576464.db2.gz WLSNOMUESQKHIU-UHFFFAOYSA-N 1 0 382.465 1.549 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)[N@@H+]1CCCC[C@H]1C ZINC000824936046 607586441 /nfs/dbraw/zinc/58/64/41/607586441.db2.gz DPTCSQJAVRNDHG-NEPJUHHUSA-N 1 0 382.465 1.547 20 0 GDADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826488197 607589708 /nfs/dbraw/zinc/58/97/08/607589708.db2.gz KFUOKVOFEYBUPM-VXGBXAGGSA-N 1 0 382.877 1.425 20 0 GDADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000824092862 607593531 /nfs/dbraw/zinc/59/35/31/607593531.db2.gz AXMGFMOWHAMVEK-UHFFFAOYSA-N 1 0 382.465 1.547 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c1-c1nn[nH]n1 ZINC000826302773 607594285 /nfs/dbraw/zinc/59/42/85/607594285.db2.gz SAHKNVSZLYTNEC-ZDUSSCGKSA-N 1 0 378.502 1.575 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000738853162 603135004 /nfs/dbraw/zinc/13/50/04/603135004.db2.gz QSLNLKDOGDUHGZ-SJLPKXTDSA-N 1 0 380.533 1.830 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825850197 607619754 /nfs/dbraw/zinc/61/97/54/607619754.db2.gz OKAZCXKBJTXSFF-BYCMXARLSA-N 1 0 392.410 1.469 20 0 GDADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000824705500 607635104 /nfs/dbraw/zinc/63/51/04/607635104.db2.gz BYRVEAJKALDKOP-LBPRGKRZSA-N 1 0 391.451 1.562 20 0 GDADRO C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCN(C(=O)[O-])C1 ZINC000825662739 603903868 /nfs/dbraw/zinc/90/38/68/603903868.db2.gz HIJJGFXVPCWBDS-IBGZPJMESA-N 1 0 375.473 1.100 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000826249152 607665669 /nfs/dbraw/zinc/66/56/69/607665669.db2.gz OGQBXWANQXZNGE-UHFFFAOYSA-N 1 0 392.467 1.252 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)C(C)(C)C[NH+](C)C ZINC000824641814 607667004 /nfs/dbraw/zinc/66/70/04/607667004.db2.gz ZICGZTUQWMLHJQ-SNVBAGLBSA-N 1 0 386.909 1.775 20 0 GDADRO CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)c2c[nH+]ccc21 ZINC000826038640 607667409 /nfs/dbraw/zinc/66/74/09/607667409.db2.gz SLWJIOYISRHENF-UHFFFAOYSA-N 1 0 375.389 1.046 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000826248993 607672005 /nfs/dbraw/zinc/67/20/05/607672005.db2.gz GXODQFMBPBYSGB-UHFFFAOYSA-N 1 0 392.467 1.252 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000826244292 607677728 /nfs/dbraw/zinc/67/77/28/607677728.db2.gz NGWIYHIVEFNVAS-UHFFFAOYSA-N 1 0 388.472 1.521 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000529373823 649942035 /nfs/dbraw/zinc/94/20/35/649942035.db2.gz CYGDBASITSYLBP-AWEZNQCLSA-N 1 0 398.301 1.990 20 0 GDADRO CC(C)C[C@H](NC(=O)[C@@H]1C[C@@]1(C)Br)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000529420449 649944518 /nfs/dbraw/zinc/94/45/18/649944518.db2.gz CHDZLUCXZGMIDE-AYMQEEERSA-N 1 0 388.350 1.853 20 0 GDADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000529459466 649945969 /nfs/dbraw/zinc/94/59/69/649945969.db2.gz RBJDWORARLORHE-LBPRGKRZSA-N 1 0 391.896 1.700 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000826245234 607706187 /nfs/dbraw/zinc/70/61/87/607706187.db2.gz RIHNBRXPTHPQRB-QGZVFWFLSA-N 1 0 384.484 1.892 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000529534216 649947973 /nfs/dbraw/zinc/94/79/73/649947973.db2.gz ZWACGPWKCJPVNC-OAHLLOKOSA-N 1 0 385.281 1.722 20 0 GDADRO O=C1CC[C@@H]([NH+]2CCN(Cc3ncc(Br)cc3F)CC2)CCN1 ZINC000529595693 649949202 /nfs/dbraw/zinc/94/92/02/649949202.db2.gz LRGAYGHYOQPHGP-CYBMUJFWSA-N 1 0 385.281 1.770 20 0 GDADRO CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000825826009 607717825 /nfs/dbraw/zinc/71/78/25/607717825.db2.gz RNYDVBKZFVATNV-UHFFFAOYSA-N 1 0 380.456 1.369 20 0 GDADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CN1CCC(NC(=O)[O-])CC1 ZINC000826067292 605736508 /nfs/dbraw/zinc/73/65/08/605736508.db2.gz JPPDHHHELJLDSY-KRWDZBQOSA-N 1 0 388.512 1.841 20 0 GDADRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820649777 606068171 /nfs/dbraw/zinc/06/81/71/606068171.db2.gz OODIQDBHIATMAI-JLTOFOAXSA-N 1 0 386.500 1.650 20 0 GDADRO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000821675970 606115931 /nfs/dbraw/zinc/11/59/31/606115931.db2.gz XXUSSWSHNLDCPY-CQSZACIVSA-N 1 0 398.471 1.665 20 0 GDADRO CC(C)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1)[NH+]1CCC(C)CC1 ZINC000820723219 606159414 /nfs/dbraw/zinc/15/94/14/606159414.db2.gz XRRQPFYZEZKHJZ-AWEZNQCLSA-N 1 0 375.481 1.478 20 0 GDADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2nn(C)cc2-c2nn[nH]n2)c1 ZINC000822304432 606161181 /nfs/dbraw/zinc/16/11/81/606161181.db2.gz XPSYFDGACVOQSJ-UHFFFAOYSA-N 1 0 383.460 1.504 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000820759188 606163509 /nfs/dbraw/zinc/16/35/09/606163509.db2.gz IRSWSCIKFNNMAD-CQSZACIVSA-N 1 0 395.471 1.729 20 0 GDADRO COc1cc(C[C@@H](CO)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc(OC)c1 ZINC000821712639 606166039 /nfs/dbraw/zinc/16/60/39/606166039.db2.gz KHOMZMMMBKBPIY-MRXNPFEDSA-N 1 0 383.452 1.825 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000821614620 606172967 /nfs/dbraw/zinc/17/29/67/606172967.db2.gz NLEJMINVGLZFOO-AWEZNQCLSA-N 1 0 381.444 1.338 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821625308 606188292 /nfs/dbraw/zinc/18/82/92/606188292.db2.gz KSEKWTBAIJGWCK-SJORKVTESA-N 1 0 390.513 1.199 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000821254994 606189304 /nfs/dbraw/zinc/18/93/04/606189304.db2.gz RJCCHVFBGXRJIJ-GOEBONIOSA-N 1 0 392.529 1.445 20 0 GDADRO CCOC[C@H]1CC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000821367382 606190580 /nfs/dbraw/zinc/19/05/80/606190580.db2.gz IAYZZJSLSFPPCS-AWEZNQCLSA-N 1 0 396.455 1.349 20 0 GDADRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821638653 606195293 /nfs/dbraw/zinc/19/52/93/606195293.db2.gz FEKKEIOKDKOGFL-ACJLOTCBSA-N 1 0 394.435 1.945 20 0 GDADRO O=S(=O)(NC1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000823573282 606202618 /nfs/dbraw/zinc/20/26/18/606202618.db2.gz TYBLAGMTONDGJC-UHFFFAOYSA-N 1 0 391.501 1.337 20 0 GDADRO Clc1cccc(N2CC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)c1 ZINC000822586059 606204053 /nfs/dbraw/zinc/20/40/53/606204053.db2.gz ROMQBXKUFAHYSC-GXTWGEPZSA-N 1 0 399.890 1.627 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000822332840 606227472 /nfs/dbraw/zinc/22/74/72/606227472.db2.gz UMKAAXOIWJMXJU-WMLDXEAASA-N 1 0 379.468 1.880 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)cc2)C1 ZINC000822860614 606266942 /nfs/dbraw/zinc/26/69/42/606266942.db2.gz ZLRDNKIZJZWMQP-CYBMUJFWSA-N 1 0 394.439 1.144 20 0 GDADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000823294924 606293321 /nfs/dbraw/zinc/29/33/21/606293321.db2.gz XWRCVFJARYSPTF-HNNXBMFYSA-N 1 0 379.424 1.818 20 0 GDADRO CN(C)C1(C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000821581274 606307577 /nfs/dbraw/zinc/30/75/77/606307577.db2.gz HSWHSPWFYIXEIY-UHFFFAOYSA-N 1 0 392.529 1.495 20 0 GDADRO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000820044540 606308918 /nfs/dbraw/zinc/30/89/18/606308918.db2.gz HBEBQPQFLORDPD-XBFCOCLRSA-N 1 0 376.486 1.684 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H]2CCCn3ccnc32)CCN1c1sccc1-c1nn[nH]n1 ZINC000823514197 606310158 /nfs/dbraw/zinc/31/01/58/606310158.db2.gz XMNHSKPUDZLMPC-WCQYABFASA-N 1 0 384.469 1.397 20 0 GDADRO CC(C)C[NH+]1CCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000820092223 606313333 /nfs/dbraw/zinc/31/33/33/606313333.db2.gz JEYMIPHLIUZGAT-CQSZACIVSA-N 1 0 375.502 1.307 20 0 GDADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820241871 606342383 /nfs/dbraw/zinc/34/23/83/606342383.db2.gz JEORXZHWHCGTCX-VIFPVBQESA-N 1 0 392.407 1.504 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821584719 606366501 /nfs/dbraw/zinc/36/65/01/606366501.db2.gz PVVLERATQPEHBI-UHFFFAOYSA-N 1 0 388.472 1.205 20 0 GDADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000821001157 606391519 /nfs/dbraw/zinc/39/15/19/606391519.db2.gz PFOQQOONYRGCBR-GJZGRUSLSA-N 1 0 399.503 1.332 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[N@@H+]1CCCC[C@H]1C ZINC000820704621 606394453 /nfs/dbraw/zinc/39/44/53/606394453.db2.gz PDNBPHGUEFNZNM-VXGBXAGGSA-N 1 0 389.435 1.323 20 0 GDADRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821636453 606411645 /nfs/dbraw/zinc/41/16/45/606411645.db2.gz QZMSRMDQEFTVPS-UHFFFAOYSA-N 1 0 378.483 1.267 20 0 GDADRO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821854627 606494974 /nfs/dbraw/zinc/49/49/74/606494974.db2.gz PPLINBUMPPVVBH-UHFFFAOYSA-N 1 0 381.440 1.474 20 0 GDADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821584602 606537947 /nfs/dbraw/zinc/53/79/47/606537947.db2.gz KTLXBJMRHZHATC-UHFFFAOYSA-N 1 0 393.451 1.938 20 0 GDADRO CC[C@@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000820988282 606596738 /nfs/dbraw/zinc/59/67/38/606596738.db2.gz DSHIDGQBVLSBHI-DGCLKSJQSA-N 1 0 377.424 1.315 20 0 GDADRO Cc1noc(C2CCC([NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822527990 606600432 /nfs/dbraw/zinc/60/04/32/606600432.db2.gz NIGWAGKYNWVSBV-NRXISQOPSA-N 1 0 382.428 1.401 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000822135952 606615068 /nfs/dbraw/zinc/61/50/68/606615068.db2.gz HHSOKKQSKNHPIH-MRXNPFEDSA-N 1 0 388.472 1.027 20 0 GDADRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819923239 606622767 /nfs/dbraw/zinc/62/27/67/606622767.db2.gz WNNHMWFITANCDS-AWEZNQCLSA-N 1 0 386.456 1.859 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C12CCCCC2 ZINC000821357997 606627498 /nfs/dbraw/zinc/62/74/98/606627498.db2.gz GOUHWDONPWMNDA-FVQBIDKESA-N 1 0 386.504 1.822 20 0 GDADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820650654 606636229 /nfs/dbraw/zinc/63/62/29/606636229.db2.gz XDUFTVNJJYJDSP-MCIONIFRSA-N 1 0 378.502 1.511 20 0 GDADRO C[C@@H]1C[NH+](CCCCNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)C[C@@H](C)O1 ZINC000820759783 606641346 /nfs/dbraw/zinc/64/13/46/606641346.db2.gz NQWIHYNJKSIWBH-HUUCEWRRSA-N 1 0 387.488 1.284 20 0 GDADRO C[C@@H]1C[NH+](CCCCNC(=O)C=Cc2ccccc2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000820760778 606641461 /nfs/dbraw/zinc/64/14/61/606641461.db2.gz SYMOCQMVCMMPJR-UETGSQEOSA-N 1 0 384.484 1.886 20 0 GDADRO C[C@]1(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCO1 ZINC000820612895 606673438 /nfs/dbraw/zinc/67/34/38/606673438.db2.gz MTNBNGLYXRGTTK-HXUWFJFHSA-N 1 0 399.499 1.653 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820316612 606699613 /nfs/dbraw/zinc/69/96/13/606699613.db2.gz WAPBGZMDWDTNPF-QWHCGFSZSA-N 1 0 397.487 1.302 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cn2cc(Cl)ccc2n1 ZINC000821601727 606701224 /nfs/dbraw/zinc/70/12/24/606701224.db2.gz XBGIDUZBAVDWTB-UHFFFAOYSA-N 1 0 386.851 1.538 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(-n2cccn2)cc1 ZINC000821601448 606702381 /nfs/dbraw/zinc/70/23/81/606702381.db2.gz HRVYMPNWAMUQFZ-UHFFFAOYSA-N 1 0 378.444 1.422 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1coc(-c2cccs2)n1 ZINC000821601684 606702437 /nfs/dbraw/zinc/70/24/37/606702437.db2.gz USSSTQGHUMRAPO-UHFFFAOYSA-N 1 0 385.457 1.953 20 0 GDADRO CC(C)[C@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000820038066 606705508 /nfs/dbraw/zinc/70/55/08/606705508.db2.gz JVLDBFLSDBZBSZ-LIRRHRJNSA-N 1 0 383.456 1.569 20 0 GDADRO Cc1nnc([C@@H]2CCC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC000822436483 606755379 /nfs/dbraw/zinc/75/53/79/606755379.db2.gz NSZOIBVIEIJYDO-CQSZACIVSA-N 1 0 381.444 1.501 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000819876350 606771555 /nfs/dbraw/zinc/77/15/55/606771555.db2.gz FZMJXHBKYYKGRG-ADLMAVQZSA-N 1 0 388.497 1.856 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821599059 606818966 /nfs/dbraw/zinc/81/89/66/606818966.db2.gz DLRBFMLKEIYHPV-CYBMUJFWSA-N 1 0 389.435 1.277 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CCCS1 ZINC000821586028 606836197 /nfs/dbraw/zinc/83/61/97/606836197.db2.gz GKBVOUBKUJXPPI-INIZCTEOSA-N 1 0 389.529 1.836 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C[C@H]1C ZINC000821254902 606843992 /nfs/dbraw/zinc/84/39/92/606843992.db2.gz PTCKJILHFLXUCG-DGCLKSJQSA-N 1 0 382.465 1.499 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2sccc2C1 ZINC000820274884 606851830 /nfs/dbraw/zinc/85/18/30/606851830.db2.gz LKDYNGRYVAYBFW-SUMWQHHRSA-N 1 0 384.509 1.998 20 0 GDADRO O[C@H](C[NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689315 606852120 /nfs/dbraw/zinc/85/21/20/606852120.db2.gz DOFZAZVYNNAPIU-LJQANCHMSA-N 1 0 375.436 1.935 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819939740 606890620 /nfs/dbraw/zinc/89/06/20/606890620.db2.gz IOUBMRFXLJTUCB-BBRMVZONSA-N 1 0 388.472 1.747 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820684196 606891255 /nfs/dbraw/zinc/89/12/55/606891255.db2.gz MZIDCBPRHHOSOF-MBOZVWFJSA-N 1 0 399.543 1.391 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820752904 606891640 /nfs/dbraw/zinc/89/16/40/606891640.db2.gz TYRSDZNBWYUPMK-ZANVPECISA-N 1 0 386.428 1.106 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820803589 606891761 /nfs/dbraw/zinc/89/17/61/606891761.db2.gz CQXSUKGAWAWQNW-ONGXEEELSA-N 1 0 384.412 1.002 20 0 GDADRO O=C1C[C@H](c2ccccc2)[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCN1 ZINC000823521154 606892149 /nfs/dbraw/zinc/89/21/49/606892149.db2.gz RCTHLPMTIKALNM-MSOLQXFVSA-N 1 0 378.436 1.463 20 0 GDADRO C[N@H+](CCCNC(=O)OC(C)(C)C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821599179 606901286 /nfs/dbraw/zinc/90/12/86/606901286.db2.gz ITFYQWIDASRLGN-HNNXBMFYSA-N 1 0 376.461 1.747 20 0 GDADRO O[C@H](C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672425 606909552 /nfs/dbraw/zinc/90/95/52/606909552.db2.gz DSASULNHAIDZIL-RBUKOAKNSA-N 1 0 387.484 1.950 20 0 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NC(=O)[C@@H]1CCCN1C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826389657 608453937 /nfs/dbraw/zinc/45/39/37/608453937.db2.gz DQJKQDMCVQXWEH-SFHVURJKSA-N 1 0 399.499 1.050 20 0 GDADRO O[C@@H](COC1CCOCC1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826503892 608466483 /nfs/dbraw/zinc/46/64/83/608466483.db2.gz IYWMPVCSQNQYRL-GOSISDBHSA-N 1 0 385.468 1.512 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1nnc(-c2ccco2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562350 608466602 /nfs/dbraw/zinc/46/66/02/608466602.db2.gz GACJFLAFDUROQP-JTQLQIEISA-N 1 0 380.368 1.799 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000826091191 608473446 /nfs/dbraw/zinc/47/34/46/608473446.db2.gz YGTPOXFSZVAWFN-NSHDSACASA-N 1 0 390.444 1.765 20 0 GDADRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824599483 608480623 /nfs/dbraw/zinc/48/06/23/608480623.db2.gz PRCPKZUBQQDEDR-CYBMUJFWSA-N 1 0 387.465 2.000 20 0 GDADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825565741 608485379 /nfs/dbraw/zinc/48/53/79/608485379.db2.gz XZSSRDQOHHDTMR-LLVKDONJSA-N 1 0 398.427 1.066 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C[C@@H]1[NH+](C)C ZINC000826227023 608491353 /nfs/dbraw/zinc/49/13/53/608491353.db2.gz KFSFJLLUPTZFFW-QWHCGFSZSA-N 1 0 392.533 1.933 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826223783 608498775 /nfs/dbraw/zinc/49/87/75/608498775.db2.gz ZQUYIOQLOAAMPF-MRXNPFEDSA-N 1 0 376.486 1.258 20 0 GDADRO O=C(C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1)N1CCCCC1 ZINC000826399446 608502855 /nfs/dbraw/zinc/50/28/55/608502855.db2.gz WAERJQFKIUUIRI-UHFFFAOYSA-N 1 0 394.483 1.739 20 0 GDADRO O[C@H](C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826503268 608528960 /nfs/dbraw/zinc/52/89/60/608528960.db2.gz UMSKYAKEGCLXBY-GGPKGHCWSA-N 1 0 395.463 1.974 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1ccc2c(c1)OCO2 ZINC000826412583 608531794 /nfs/dbraw/zinc/53/17/94/608531794.db2.gz UNJKXIQKYLVYJS-UHFFFAOYSA-N 1 0 378.392 1.813 20 0 GDADRO OCCC[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826508884 608537140 /nfs/dbraw/zinc/53/71/40/608537140.db2.gz FIWDWJMEKQMAGO-MJGOQNOKSA-N 1 0 383.452 1.710 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C[C@@H]1O ZINC000824984384 608586981 /nfs/dbraw/zinc/58/69/81/608586981.db2.gz JICCMRTYVBUESH-JQWIXIFHSA-N 1 0 376.486 1.448 20 0 GDADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824983974 608587494 /nfs/dbraw/zinc/58/74/94/608587494.db2.gz FFIUPSKAEHFINC-RYUDHWBXSA-N 1 0 377.880 1.873 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000826518766 608656667 /nfs/dbraw/zinc/65/66/67/608656667.db2.gz XEHJJVYRBAGAJA-KRWDZBQOSA-N 1 0 383.456 1.674 20 0 GDADRO Cc1nc(C[C@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)no1 ZINC000826325486 608664685 /nfs/dbraw/zinc/66/46/85/608664685.db2.gz ZHTWJIHRWYMYIR-CYBMUJFWSA-N 1 0 379.428 1.661 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000826519033 608699900 /nfs/dbraw/zinc/69/99/00/608699900.db2.gz HJRJFMSSTIOYCL-UHFFFAOYSA-N 1 0 382.472 1.059 20 0 GDADRO C[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)CC(C)(C)CN1CCOCC1 ZINC000825991897 608736460 /nfs/dbraw/zinc/73/64/60/608736460.db2.gz LEWCFJRNHWRQKE-UHFFFAOYSA-N 1 0 384.488 1.305 20 0 GDADRO c1nc2cncc(N3CCC[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)n2n1 ZINC000826526534 608866366 /nfs/dbraw/zinc/86/63/66/608866366.db2.gz CHRINQVXAPRMLB-UHFFFAOYSA-N 1 0 376.428 1.017 20 0 GDADRO O=C1[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476143 609169570 /nfs/dbraw/zinc/16/95/70/609169570.db2.gz BNESFLOQMJZDSA-CGTJXYLNSA-N 1 0 381.484 1.579 20 0 GDADRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826443473 609188385 /nfs/dbraw/zinc/18/83/85/609188385.db2.gz QNROTDGSKLUHIZ-LJQANCHMSA-N 1 0 392.463 1.812 20 0 GDADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826436801 609196936 /nfs/dbraw/zinc/19/69/36/609196936.db2.gz JOFNXJIAMHXEMO-LJQANCHMSA-N 1 0 392.463 1.465 20 0 GDADRO COc1cccc(C[NH+]2CCC(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)c1 ZINC000826216028 609199812 /nfs/dbraw/zinc/19/98/12/609199812.db2.gz GZHNHWCYVDBZDN-UHFFFAOYSA-N 1 0 381.440 1.598 20 0 GDADRO Cc1ccc([C@H](CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[NH+]2CCCC2)o1 ZINC000826283873 609219856 /nfs/dbraw/zinc/21/98/56/609219856.db2.gz DAYJAWSIVWROGZ-WMZOPIPTSA-N 1 0 396.451 1.755 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]2C[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257491 609221317 /nfs/dbraw/zinc/22/13/17/609221317.db2.gz FDFOZZAPMXEHHS-INIZCTEOSA-N 1 0 380.456 1.527 20 0 GDADRO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824994882 609238550 /nfs/dbraw/zinc/23/85/50/609238550.db2.gz WMCNTQCAHTZRDE-OAUYIBNBSA-N 1 0 390.513 1.504 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000824555053 609238773 /nfs/dbraw/zinc/23/87/73/609238773.db2.gz UINISSXHGFZSTF-KEYYUXOJSA-N 1 0 392.529 1.966 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824906116 609264915 /nfs/dbraw/zinc/26/49/15/609264915.db2.gz ABFRZMKPAVOZGK-VBQJREDUSA-N 1 0 397.483 1.351 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000826175666 609282044 /nfs/dbraw/zinc/28/20/44/609282044.db2.gz MGXFFFWAVBLSHO-FQEVSTJZSA-N 1 0 399.426 1.987 20 0 GDADRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579096 609329212 /nfs/dbraw/zinc/32/92/12/609329212.db2.gz XISYVNOAANABDN-UGSOOPFHSA-N 1 0 392.504 1.864 20 0 GDADRO C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585295 609333714 /nfs/dbraw/zinc/33/37/14/609333714.db2.gz PFZDSTLLXPGWNI-JSGCOSHPSA-N 1 0 375.452 1.244 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361462 609345056 /nfs/dbraw/zinc/34/50/56/609345056.db2.gz XVHHOPDEMUTNBH-YLJYHZDGSA-N 1 0 395.467 1.695 20 0 GDADRO C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC[N@@H+]1C ZINC000824893950 609358140 /nfs/dbraw/zinc/35/81/40/609358140.db2.gz VZDJIYMHJGGGGB-NWDGAFQWSA-N 1 0 399.434 1.796 20 0 GDADRO C[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C[C@H]1[NH+](C)C ZINC000824977285 609358194 /nfs/dbraw/zinc/35/81/94/609358194.db2.gz PZTYTDGQCVWCIB-SMDDNHRTSA-N 1 0 399.434 1.605 20 0 GDADRO C[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824470456 609367890 /nfs/dbraw/zinc/36/78/90/609367890.db2.gz IGCBBTAUKWRCLJ-ZFWWWQNUSA-N 1 0 397.483 1.574 20 0 GDADRO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000825909390 609378915 /nfs/dbraw/zinc/37/89/15/609378915.db2.gz XTOWJYMGKWWUJW-UBHSHLNASA-N 1 0 376.486 1.516 20 0 GDADRO NC(=O)c1cccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826393268 609413426 /nfs/dbraw/zinc/41/34/26/609413426.db2.gz KOVDKDFGOBTUAR-KRWDZBQOSA-N 1 0 391.435 1.251 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476277 609417415 /nfs/dbraw/zinc/41/74/15/609417415.db2.gz DVWZRPZKVLMIFT-TVFCKZIOSA-N 1 0 382.468 1.909 20 0 GDADRO COc1ccccc1[C@@H](CO)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000826176123 609426150 /nfs/dbraw/zinc/42/61/50/609426150.db2.gz BWHYGZUMBOVKQY-OAHLLOKOSA-N 1 0 385.424 1.586 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c1-c1nn[nH]n1 ZINC000826077867 609434840 /nfs/dbraw/zinc/43/48/40/609434840.db2.gz YDCCCKWJGKHYAF-JSGCOSHPSA-N 1 0 390.492 1.522 20 0 GDADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(-c3nn[nH]n3)nc2)cc1 ZINC000826188812 609468892 /nfs/dbraw/zinc/46/88/92/609468892.db2.gz HKGXIXUSCCUGHL-GOSISDBHSA-N 1 0 393.451 1.837 20 0 GDADRO Cc1onc(CC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826345552 609472829 /nfs/dbraw/zinc/47/28/29/609472829.db2.gz NLXAAFZDOFWMJL-XJKSGUPXSA-N 1 0 395.467 1.732 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000825411647 609552427 /nfs/dbraw/zinc/55/24/27/609552427.db2.gz ANZDJCHHEQLTHK-GFCCVEGCSA-N 1 0 398.920 1.873 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000825856618 609554021 /nfs/dbraw/zinc/55/40/21/609554021.db2.gz YTUFRECALXSKCB-NWDGAFQWSA-N 1 0 384.893 1.671 20 0 GDADRO CCc1nsc(N2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)n1 ZINC000531371983 649989876 /nfs/dbraw/zinc/98/98/76/649989876.db2.gz NDNVNNGKENPVRN-INIZCTEOSA-N 1 0 384.575 1.369 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000532193752 650018780 /nfs/dbraw/zinc/01/87/80/650018780.db2.gz ZKUDZPHSYXBIEK-UHFFFAOYSA-N 1 0 380.436 1.406 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Cl)cnc1N ZINC000532777071 650033229 /nfs/dbraw/zinc/03/32/29/650033229.db2.gz BOLCWASKFAPJDO-UHFFFAOYSA-N 1 0 392.909 1.211 20 0 GDADRO CCOCC[NH+]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000532952166 650038560 /nfs/dbraw/zinc/03/85/60/650038560.db2.gz TYIXNDLATZZPIL-UHFFFAOYSA-N 1 0 395.301 1.611 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc2nsnc21 ZINC000533331821 650048690 /nfs/dbraw/zinc/04/86/90/650048690.db2.gz OVPVPYIFLLXATJ-BNOWGMLFSA-N 1 0 382.511 1.564 20 0 GDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1cc(Br)cs1 ZINC000534664986 650228311 /nfs/dbraw/zinc/22/83/11/650228311.db2.gz HOKJHDHAJPNIPJ-UHFFFAOYSA-N 1 0 390.347 1.631 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCN(C)S(=O)(=O)c2cccs2)C[C@H]1C ZINC000535736227 650254903 /nfs/dbraw/zinc/25/49/03/650254903.db2.gz UQVAMYYPHGCVAN-KGLIPLIRSA-N 1 0 388.559 1.493 20 0 GDADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncc(Br)cn1 ZINC000535987556 650262125 /nfs/dbraw/zinc/26/21/25/650262125.db2.gz RXWNYZPPUINESB-HNNXBMFYSA-N 1 0 392.301 1.940 20 0 GDADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCNC1=O ZINC000536174375 650266601 /nfs/dbraw/zinc/26/66/01/650266601.db2.gz MLRYWUFFAOTOOK-CMPLNLGQSA-N 1 0 377.666 1.663 20 0 GDADRO CCSc1nnc(NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000536246997 650267891 /nfs/dbraw/zinc/26/78/91/650267891.db2.gz DEBOFRLAYGLJET-NSHDSACASA-N 1 0 388.563 1.864 20 0 GDADRO O=S1(=O)CCO[C@@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000536850596 650281801 /nfs/dbraw/zinc/28/18/01/650281801.db2.gz FCMGPCSRLMRMDG-IINYFYTJSA-N 1 0 378.263 1.979 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc([S@](C)=O)cc1 ZINC000539369863 650333121 /nfs/dbraw/zinc/33/31/21/650333121.db2.gz QGSHWTBYPDRFRH-NZBBKZSKSA-N 1 0 386.539 1.109 20 0 GDADRO C[C@@H](C[S@](C)=O)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000541410505 650383940 /nfs/dbraw/zinc/38/39/40/650383940.db2.gz UDUKJYYKGYPBRI-CANCMXDXSA-N 1 0 383.539 1.057 20 0 GDADRO COC(=O)CN(C)C(=O)CC[NH2+][C@H](CCO)c1ccccc1Br ZINC000541949712 650396062 /nfs/dbraw/zinc/39/60/62/650396062.db2.gz VRBOVCKMKNNCLZ-CQSZACIVSA-N 1 0 387.274 1.484 20 0 GDADRO Cn1ccnc1Sc1ncc(C(=O)NCCOCC[NH+](C)C)cc1Cl ZINC000542457992 650405315 /nfs/dbraw/zinc/40/53/15/650405315.db2.gz XRYHFRKOUIBNOY-UHFFFAOYSA-N 1 0 383.905 1.928 20 0 GDADRO OCCC[NH+]1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000542483747 650405852 /nfs/dbraw/zinc/40/58/52/650405852.db2.gz ZYWBVMLPQGYJEK-UHFFFAOYSA-N 1 0 398.248 1.739 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1cc(-n2ccnc2)cs1)NC[C@H]1CCCCO1 ZINC000543171950 650420264 /nfs/dbraw/zinc/42/02/64/650420264.db2.gz MLBNIDDTVJNPFR-OAHLLOKOSA-N 1 0 384.527 1.512 20 0 GDADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)Cc2ccc(F)cc2F)CC1 ZINC000545320586 650453833 /nfs/dbraw/zinc/45/38/33/650453833.db2.gz IJXVXXVVJDGEFA-UHFFFAOYSA-N 1 0 375.485 1.800 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]C[C@]2(O)CCOC2)c2cc(Br)ccc21 ZINC000547826314 650516979 /nfs/dbraw/zinc/51/69/79/650516979.db2.gz FCEGTARCILSVTK-GXTWGEPZSA-N 1 0 376.272 1.409 20 0 GDADRO O=C(Cc1ccc(Br)cc1O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548077076 650529984 /nfs/dbraw/zinc/52/99/84/650529984.db2.gz PURYBKGYCMORDM-ZDUSSCGKSA-N 1 0 383.286 1.878 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(C[C@@H](O)COc3ccc(Br)cc3)[C@H]2C1 ZINC000549831079 650584512 /nfs/dbraw/zinc/58/45/12/650584512.db2.gz ZYLAPTSEDKCEAO-BPQIPLTHSA-N 1 0 399.329 1.984 20 0 GDADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)[C@H](C(F)(F)F)C1 ZINC000551326836 650604209 /nfs/dbraw/zinc/60/42/09/650604209.db2.gz ZGCJZRIOWDSPNQ-IJLUTSLNSA-N 1 0 385.452 1.175 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)s1 ZINC000551524784 650608964 /nfs/dbraw/zinc/60/89/64/650608964.db2.gz QAWMXVVCEJYSOL-CYBMUJFWSA-N 1 0 390.914 1.716 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)cc1F ZINC000552369049 650624430 /nfs/dbraw/zinc/62/44/30/650624430.db2.gz PXCRCEXZVLLUTJ-GFCCVEGCSA-N 1 0 393.506 1.207 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)s1 ZINC000553463687 650647452 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20 0 GDADRO C[C@@H](NC(=O)c1[nH]nc2ccc(Br)cc21)C(=O)NCC[NH+](C)C ZINC000556905703 650714805 /nfs/dbraw/zinc/71/48/05/650714805.db2.gz JMRPUXPYYDISAH-SECBINFHSA-N 1 0 382.262 1.122 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000556923422 650715092 /nfs/dbraw/zinc/71/50/92/650715092.db2.gz JENZICORJUJFCV-KGLIPLIRSA-N 1 0 386.539 1.843 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000557399229 650724206 /nfs/dbraw/zinc/72/42/06/650724206.db2.gz JWBFTPIICUMZJE-INIZCTEOSA-N 1 0 384.274 1.429 20 0 GDADRO Cc1ccc(CCC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c(Br)c1 ZINC000563819157 650740840 /nfs/dbraw/zinc/74/08/40/650740840.db2.gz BKKVUSMEPOGZCJ-ZDUSSCGKSA-N 1 0 384.318 1.873 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000563897768 650742681 /nfs/dbraw/zinc/74/26/81/650742681.db2.gz WJJRKLPVWAKCFH-KRWDZBQOSA-N 1 0 393.285 1.592 20 0 GDADRO O=C(CNC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)Nc1ccccc1Br ZINC000563955160 650744660 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CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)C[C@H]1[NH+](C)C ZINC000564691392 650764843 /nfs/dbraw/zinc/76/48/43/650764843.db2.gz APSOYKPZACRXHC-HZPDHXFCSA-N 1 0 385.555 1.086 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1CCN(S(=O)(=O)CC)CC1 ZINC000564609794 650762731 /nfs/dbraw/zinc/76/27/31/650762731.db2.gz CFLHWMUNFPDFOK-OAHLLOKOSA-N 1 0 376.567 1.468 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000564657812 650764022 /nfs/dbraw/zinc/76/40/22/650764022.db2.gz PAYVMWKSOLYRNN-JMSVASOKSA-N 1 0 397.317 1.975 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000564955769 650774382 /nfs/dbraw/zinc/77/43/82/650774382.db2.gz ZFFVMVXMDDXTKX-QWHCGFSZSA-N 1 0 385.295 1.366 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]CCc2cnc(SC3CCCC3)nc2)CC1 ZINC000564860565 650770174 /nfs/dbraw/zinc/77/01/74/650770174.db2.gz QHMMYMFXLXEQKT-UHFFFAOYSA-N 1 0 385.555 1.583 20 0 GDADRO O=C(C[C@@H]1COCC[NH2+]1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000564937053 650773616 /nfs/dbraw/zinc/77/36/16/650773616.db2.gz OHHDZUPLQBLQTP-GFCCVEGCSA-N 1 0 381.230 1.494 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565256158 650790019 /nfs/dbraw/zinc/79/00/19/650790019.db2.gz XVSQYJUBWURFOQ-KCPJHIHWSA-N 1 0 395.301 1.334 20 0 GDADRO C[C@H]1COCC[N@@H+]1C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000565283895 650790379 /nfs/dbraw/zinc/79/03/79/650790379.db2.gz KCODGRLCSLCBJU-ZDUSSCGKSA-N 1 0 397.317 1.968 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000565298910 650791040 /nfs/dbraw/zinc/79/10/40/650791040.db2.gz CSHHGQXYZJVKRJ-YMTOWFKASA-N 1 0 389.315 1.889 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCC[NH3+] ZINC000565304622 650791138 /nfs/dbraw/zinc/79/11/38/650791138.db2.gz XYFFVTHHGFCAJP-ZDUSSCGKSA-N 1 0 377.507 1.081 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000565607529 650805124 /nfs/dbraw/zinc/80/51/24/650805124.db2.gz USSHNVUOANACCE-QLFBSQMISA-N 1 0 385.555 1.075 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000565597578 650804670 /nfs/dbraw/zinc/80/46/70/650804670.db2.gz LVOIXXATDVJQSX-GXTWGEPZSA-N 1 0 389.518 1.094 20 0 GDADRO O=C(NCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000565588056 650804379 /nfs/dbraw/zinc/80/43/79/650804379.db2.gz VPYMSRFXPZOPPI-HNNXBMFYSA-N 1 0 395.301 1.715 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000565721378 650810299 /nfs/dbraw/zinc/81/02/99/650810299.db2.gz QJZWKAHVTPXWJB-CABCVRRESA-N 1 0 388.921 1.276 20 0 GDADRO CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000565781915 650813421 /nfs/dbraw/zinc/81/34/21/650813421.db2.gz AKBHZXLOSNXXFL-ZIAGYGMSSA-N 1 0 387.311 1.786 20 0 GDADRO O=S(=O)(CCOCC(F)(F)F)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000565800973 650814504 /nfs/dbraw/zinc/81/45/04/650814504.db2.gz LTCAYQSEVPWRRY-UHFFFAOYSA-N 1 0 381.420 1.796 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc(I)cc1F ZINC000565844888 650817660 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[NH3+][C@H]1C[C@@H]2CN(Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CCN2C1=O ZINC000566490031 650852346 /nfs/dbraw/zinc/85/23/46/650852346.db2.gz CAFZLGPJOWHZFL-DOMZBBRYSA-N 1 0 381.267 1.318 20 0 GDADRO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CSCC[NH2+]C ZINC000566736429 650863890 /nfs/dbraw/zinc/86/38/90/650863890.db2.gz ZUTOGGCBBULVKT-UHFFFAOYSA-N 1 0 387.527 1.826 20 0 GDADRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(-n3cc(Br)cn3)nn2)[C@H](C)C1 ZINC000566643260 650861564 /nfs/dbraw/zinc/86/15/64/650861564.db2.gz DESBAVIEQDCXPK-VXGBXAGGSA-N 1 0 393.289 1.980 20 0 GDADRO O=C(NCCOc1cccc(Cl)c1Cl)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000566668216 650862219 /nfs/dbraw/zinc/86/22/19/650862219.db2.gz HWEZTRAFQUVNFI-NEPJUHHUSA-N 1 0 386.279 1.556 20 0 GDADRO C[C@@H](Cc1ccccc1Br)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000566733427 650863450 /nfs/dbraw/zinc/86/34/50/650863450.db2.gz SYIXXVSOWFPLOQ-LBPRGKRZSA-N 1 0 376.316 1.909 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000566791779 650867067 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375.516 1.254 20 0 GDADRO COc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)sc1S(N)(=O)=O ZINC000331332278 645501553 /nfs/dbraw/zinc/50/15/53/645501553.db2.gz IDNQKZXFSXHBFR-NSHDSACASA-N 1 0 375.516 1.351 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)C2=O)ccc1Br ZINC000569925841 651017770 /nfs/dbraw/zinc/01/77/70/651017770.db2.gz ZHQFBSQPRKXIFY-QIIPPGSGSA-N 1 0 392.297 1.979 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000331412090 645511579 /nfs/dbraw/zinc/51/15/79/645511579.db2.gz RQJOPDDLJSRVOV-BYCMXARLSA-N 1 0 380.286 1.859 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000331843382 645537676 /nfs/dbraw/zinc/53/76/76/645537676.db2.gz BXRMRHAAVNIPBP-CHWSQXEVSA-N 1 0 398.305 1.195 20 0 GDADRO CN(CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C(=O)c1ccc(Br)s1 ZINC000333900756 645543200 /nfs/dbraw/zinc/54/32/00/645543200.db2.gz ZUDJRQSXTYJUSR-HNNXBMFYSA-N 1 0 386.315 1.937 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368339875 645617621 /nfs/dbraw/zinc/61/76/21/645617621.db2.gz WPFJSPHSNXKDHF-ZSHCYNCHSA-N 1 0 383.286 1.456 20 0 GDADRO CC[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)Cc1cccc(Br)c1 ZINC000570226946 651030684 /nfs/dbraw/zinc/03/06/84/651030684.db2.gz YXFCFTINEAPOTG-GFCCVEGCSA-N 1 0 380.290 1.998 20 0 GDADRO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000370865807 645709386 /nfs/dbraw/zinc/70/93/86/645709386.db2.gz ZMNQMHKENDHYDZ-SJORKVTESA-N 1 0 390.933 1.620 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cncc(I)c1 ZINC000371122010 645727622 /nfs/dbraw/zinc/72/76/22/645727622.db2.gz WIMNLJFUFSWOSC-CHWSQXEVSA-N 1 0 387.221 1.279 20 0 GDADRO CCC[NH2+]CCNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000570396757 651039122 /nfs/dbraw/zinc/03/91/22/651039122.db2.gz PVMSNYHBHRRPTD-MRXNPFEDSA-N 1 0 387.933 1.864 20 0 GDADRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000372047322 645777400 /nfs/dbraw/zinc/77/74/00/645777400.db2.gz XNRWGMHOBWLYMU-SRMUXQRQSA-N 1 0 388.511 1.383 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@](C)(O)COC ZINC000570516704 651043673 /nfs/dbraw/zinc/04/36/73/651043673.db2.gz LKNKBVMRYFXFCD-ZBEGNZNMSA-N 1 0 389.290 1.449 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000378029845 645863987 /nfs/dbraw/zinc/86/39/87/645863987.db2.gz XBBZKKQADQJHHT-MNOVXSKESA-N 1 0 375.288 1.688 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1COc2ccc(Br)cc21 ZINC000378270909 645875362 /nfs/dbraw/zinc/87/53/62/645875362.db2.gz GXIMHYLUOCLKAL-UMVBOHGHSA-N 1 0 381.270 1.905 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ncc(Br)s1 ZINC000378270823 645875575 /nfs/dbraw/zinc/87/55/75/645875575.db2.gz KVJSMHHHQZBNEG-CHWSQXEVSA-N 1 0 389.363 1.963 20 0 GDADRO COc1cc(Br)c(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1OC ZINC000378321450 645878673 /nfs/dbraw/zinc/87/86/73/645878673.db2.gz TVQPPYPSZRAPFB-CQSZACIVSA-N 1 0 398.301 1.472 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415420138 645893390 /nfs/dbraw/zinc/89/33/90/645893390.db2.gz SCEDJZNCBYAVON-JTQLQIEISA-N 1 0 384.267 1.982 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415423116 645893998 /nfs/dbraw/zinc/89/39/98/645893998.db2.gz XSMZNILBNXVOSI-ZETCQYMHSA-N 1 0 395.628 1.689 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415513399 645895825 /nfs/dbraw/zinc/89/58/25/645895825.db2.gz XJTTZBPYLJFUJD-ZETCQYMHSA-N 1 0 395.628 1.594 20 0 GDADRO CN(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH2+]CC1 ZINC000418094908 645908820 /nfs/dbraw/zinc/90/88/20/645908820.db2.gz VBZZITWUSSIWTO-OAHLLOKOSA-N 1 0 395.301 1.948 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1Br ZINC000419172187 645912390 /nfs/dbraw/zinc/91/23/90/645912390.db2.gz YTMCHPPNLUPMCU-GFCCVEGCSA-N 1 0 382.302 1.960 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000419074405 645912409 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COc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1Br ZINC000419438474 645917779 /nfs/dbraw/zinc/91/77/79/645917779.db2.gz HNOIJIXNTKIKCN-ZWNOBZJWSA-N 1 0 384.274 1.270 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000419440496 645918272 /nfs/dbraw/zinc/91/82/72/645918272.db2.gz KTQCINQLDXGSAI-QMMMGPOBSA-N 1 0 394.216 1.391 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000419439916 645918297 /nfs/dbraw/zinc/91/82/97/645918297.db2.gz JXECBXWCTHIOLW-DGCLKSJQSA-N 1 0 398.301 1.660 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000419463631 645919259 /nfs/dbraw/zinc/91/92/59/645919259.db2.gz PHYIRNWMONJVKG-CHWSQXEVSA-N 1 0 394.313 1.841 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000419462260 645919312 /nfs/dbraw/zinc/91/93/12/645919312.db2.gz MMYBLZMJRDUUIL-UHFFFAOYSA-N 1 0 394.313 1.983 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419513526 645921887 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GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419765915 645930619 /nfs/dbraw/zinc/93/06/19/645930619.db2.gz XYSFCAYWCBNCRH-DGCLKSJQSA-N 1 0 385.295 1.509 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCC1 ZINC000419766338 645930745 /nfs/dbraw/zinc/93/07/45/645930745.db2.gz YRVDDUTZDITOEV-LBPRGKRZSA-N 1 0 385.295 1.686 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419869843 645932593 /nfs/dbraw/zinc/93/25/93/645932593.db2.gz JZNRDQPQKRAAFO-UHFFFAOYSA-N 1 0 382.302 1.836 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000419875110 645933145 /nfs/dbraw/zinc/93/31/45/645933145.db2.gz WHHLGLXWMLEISR-WFASDCNBSA-N 1 0 386.279 1.827 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420070316 645935279 /nfs/dbraw/zinc/93/52/79/645935279.db2.gz WRMWVMLFXZQIRO-BMIGLBTASA-N 1 0 380.286 1.748 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000420354211 645941483 /nfs/dbraw/zinc/94/14/83/645941483.db2.gz AYAATOTUQZKXTG-PSTGCABASA-N 1 0 397.317 1.480 20 0 GDADRO [NH3+]C[C@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CCCO1 ZINC000420386207 645942714 /nfs/dbraw/zinc/94/27/14/645942714.db2.gz IMYJKIUGMUALNS-JTQLQIEISA-N 1 0 378.217 1.715 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420475092 645944197 /nfs/dbraw/zinc/94/41/97/645944197.db2.gz ZTGOERDLALYWEC-LBPRGKRZSA-N 1 0 379.276 1.196 20 0 GDADRO CNC(=O)[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000420974707 645977186 /nfs/dbraw/zinc/97/71/86/645977186.db2.gz NCKQDVJDXDNIMU-CYBMUJFWSA-N 1 0 398.301 1.354 20 0 GDADRO CNC(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000420973688 645977266 /nfs/dbraw/zinc/97/72/66/645977266.db2.gz LOVSFFWAHBDIBP-GXFFZTMASA-N 1 0 375.238 1.396 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000421395578 646008833 /nfs/dbraw/zinc/00/88/33/646008833.db2.gz YVVFDUWVIUOCPW-OAHLLOKOSA-N 1 0 382.302 1.660 20 0 GDADRO Fc1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)c(I)c1 ZINC000421400249 646008851 /nfs/dbraw/zinc/00/88/51/646008851.db2.gz RQZWCDJVCVVLQG-NSHDSACASA-N 1 0 387.200 1.912 20 0 GDADRO CON1CCC([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000421874613 646023451 /nfs/dbraw/zinc/02/34/51/646023451.db2.gz IZAQTIUFGCUIJR-JTQLQIEISA-N 1 0 392.319 1.773 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000422267003 646053094 /nfs/dbraw/zinc/05/30/94/646053094.db2.gz HYZCQXBASMZXQX-CQSZACIVSA-N 1 0 380.286 1.461 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)c1cn(-c2ccccc2Br)nn1 ZINC000916733389 660199804 /nfs/dbraw/zinc/19/98/04/660199804.db2.gz INVUAUCEASUTKK-UHFFFAOYSA-N 1 0 387.241 1.689 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000422424183 646066803 /nfs/dbraw/zinc/06/68/03/646066803.db2.gz JOGHGCMHYLROFA-SWLSCSKDSA-N 1 0 382.302 1.973 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)NCCc1cccc(Br)c1)C(C)C ZINC000422477578 646069411 /nfs/dbraw/zinc/06/94/11/646069411.db2.gz NIWMQAAUYFUHRK-UHFFFAOYSA-N 1 0 384.318 1.954 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000422623434 646084151 /nfs/dbraw/zinc/08/41/51/646084151.db2.gz VPPYSXBIXZEDAO-UHFFFAOYSA-N 1 0 376.910 1.435 20 0 GDADRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C[C@H]1C[NH3+] ZINC000422637050 646085581 /nfs/dbraw/zinc/08/55/81/646085581.db2.gz OAYOVCYVCAGYMW-GRYCIOLGSA-N 1 0 388.921 1.231 20 0 GDADRO O=S(=O)(Cc1cccc(F)c1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000916813211 660202004 /nfs/dbraw/zinc/20/20/04/660202004.db2.gz PPGBYHASQUKOSX-NWDGAFQWSA-N 1 0 393.278 1.169 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422702488 646096183 /nfs/dbraw/zinc/09/61/83/646096183.db2.gz FHNQANRPWDDBDU-JGGQBBKZSA-N 1 0 382.302 1.911 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422954341 646103176 /nfs/dbraw/zinc/10/31/76/646103176.db2.gz IFOIBDFIBFDDAJ-GHMZBOCLSA-N 1 0 398.326 1.837 20 0 GDADRO O=C(COC1CC[NH2+]CC1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000423073341 646110874 /nfs/dbraw/zinc/11/08/74/646110874.db2.gz IOZZEGOSYLYCHV-LLVKDONJSA-N 1 0 377.268 1.618 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N(Cc2cc(Br)ccc2F)C2CC2)C1 ZINC000423071692 646110895 /nfs/dbraw/zinc/11/08/95/646110895.db2.gz HZGKAXVAAUYRLS-LBPRGKRZSA-N 1 0 384.249 1.639 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423234513 646120122 /nfs/dbraw/zinc/12/01/22/646120122.db2.gz PTRQFYHSHHSDHD-NSHDSACASA-N 1 0 386.265 1.757 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)CC1 ZINC000423237136 646120555 /nfs/dbraw/zinc/12/05/55/646120555.db2.gz SZKVOCGRZTVAPI-UHFFFAOYSA-N 1 0 380.286 1.544 20 0 GDADRO C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423370146 646123869 /nfs/dbraw/zinc/12/38/69/646123869.db2.gz UFADYOIZLXZRDY-NRUUGDAUSA-N 1 0 376.320 1.745 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000423361841 646123901 /nfs/dbraw/zinc/12/39/01/646123901.db2.gz SFKAINVXSRQVOA-VIFPVBQESA-N 1 0 375.313 1.540 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)C[C@H]1[NH3+] ZINC000423363536 646124020 /nfs/dbraw/zinc/12/40/20/646124020.db2.gz ANUIJWJGJZLWJP-IUODEOHRSA-N 1 0 394.313 1.745 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423408266 646124549 /nfs/dbraw/zinc/12/45/49/646124549.db2.gz OOIFWCUSOOEKEG-UHFFFAOYSA-N 1 0 384.274 1.108 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000423523014 646127506 /nfs/dbraw/zinc/12/75/06/646127506.db2.gz MSBOVXXVEOKFES-UHFFFAOYSA-N 1 0 385.295 1.592 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C[C@@H]1[NH3+] ZINC000423534186 646129100 /nfs/dbraw/zinc/12/91/00/646129100.db2.gz VLBRAJWRBMCMOL-HCKVZZMMSA-N 1 0 386.279 1.779 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(C)c3C2)C1 ZINC000423550150 646129566 /nfs/dbraw/zinc/12/95/66/646129566.db2.gz FCKPBVUUGRHSER-CYBMUJFWSA-N 1 0 394.313 1.710 20 0 GDADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423554239 646129604 /nfs/dbraw/zinc/12/96/04/646129604.db2.gz LNXPAKGNMSYYDQ-MFKMUULPSA-N 1 0 386.279 1.625 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423577798 646132536 /nfs/dbraw/zinc/13/25/36/646132536.db2.gz IZEMWBNRNMEUNY-ZIAGYGMSSA-N 1 0 394.313 1.933 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423625371 646138611 /nfs/dbraw/zinc/13/86/11/646138611.db2.gz CXQGFEDAJVADOC-OCCSQVGLSA-N 1 0 382.302 1.646 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423625560 646138617 /nfs/dbraw/zinc/13/86/17/646138617.db2.gz DCTVGBFGQOCFRG-OCCSQVGLSA-N 1 0 382.302 1.646 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)[C@@H](C)C[NH2+]1 ZINC000423629854 646139273 /nfs/dbraw/zinc/13/92/73/646139273.db2.gz KRZGQUHGZDNXNR-OLZOCXBDSA-N 1 0 384.933 1.255 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)C1 ZINC000423672783 646141836 /nfs/dbraw/zinc/14/18/36/646141836.db2.gz YYYSWLOSWSDTJG-JSGCOSHPSA-N 1 0 382.302 1.646 20 0 GDADRO CN(C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H](C[NH3+])C1CC1 ZINC000423950263 646145773 /nfs/dbraw/zinc/14/57/73/646145773.db2.gz NQLLBSNPXZVGGS-LSDHHAIUSA-N 1 0 380.286 1.998 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000423952949 646146442 /nfs/dbraw/zinc/14/64/42/646146442.db2.gz LRFZSRHOSPNJBL-CYBMUJFWSA-N 1 0 391.331 1.854 20 0 GDADRO CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CC[NH3+] ZINC000423998279 646151270 /nfs/dbraw/zinc/15/12/70/646151270.db2.gz AUUQAQFGJWHMKM-ZDUSSCGKSA-N 1 0 392.319 1.169 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424008785 646152593 /nfs/dbraw/zinc/15/25/93/646152593.db2.gz WKNHFKVYNAJWOH-ZDUSSCGKSA-N 1 0 399.925 1.853 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C[C@@H]1C[NH3+] ZINC000424024622 646154615 /nfs/dbraw/zinc/15/46/15/646154615.db2.gz WHLIOGTZPGVCLG-QLFBSQMISA-N 1 0 385.555 1.735 20 0 GDADRO C[NH2+]CCCN(C)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000424036690 646155131 /nfs/dbraw/zinc/15/51/31/646155131.db2.gz VKQFLQNNFAKNJV-UHFFFAOYSA-N 1 0 382.313 1.730 20 0 GDADRO C[NH2+]CCCN(C)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000424031050 646155159 /nfs/dbraw/zinc/15/51/59/646155159.db2.gz IJWFWAMVFXIRJG-UHFFFAOYSA-N 1 0 392.319 1.185 20 0 GDADRO C[C@H](C(=O)NC(C)(C)CC[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000424047558 646155961 /nfs/dbraw/zinc/15/59/61/646155961.db2.gz OGLNTQBVDZBBJD-SECBINFHSA-N 1 0 382.258 1.677 20 0 GDADRO COc1ccc(Br)c(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424226274 646166690 /nfs/dbraw/zinc/16/66/90/646166690.db2.gz OKKQVLMLPYUAPA-GOEBONIOSA-N 1 0 393.285 1.687 20 0 GDADRO C[C@@H]1CC2(CN1C(=O)c1ccc(CCNS(C)(=O)=O)s1)CC[NH2+]CC2 ZINC000424229729 646167247 /nfs/dbraw/zinc/16/72/47/646167247.db2.gz ZSVOCSGNAXFXTK-CYBMUJFWSA-N 1 0 385.555 1.444 20 0 GDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1sccc1OC(F)F ZINC000432544388 646191179 /nfs/dbraw/zinc/19/11/79/646191179.db2.gz WXKLPHWQHZRCHB-UHFFFAOYSA-N 1 0 377.457 1.469 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(Br)cc2O)C1 ZINC000436671686 646203887 /nfs/dbraw/zinc/20/38/87/646203887.db2.gz ANKNJUWOKBIODS-LLVKDONJSA-N 1 0 384.274 1.472 20 0 GDADRO COc1cc(S(=O)(=O)NC2CC[NH2+]CC2)c(OC)cc1Br ZINC000440738551 646253435 /nfs/dbraw/zinc/25/34/35/646253435.db2.gz NRGRLYPYTRXOCM-UHFFFAOYSA-N 1 0 379.276 1.497 20 0 GDADRO C[S@](=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000441379229 646256183 /nfs/dbraw/zinc/25/61/83/646256183.db2.gz IWNAUNJMLQWBSA-DEOSSOPVSA-N 1 0 388.461 1.770 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000442143864 646262909 /nfs/dbraw/zinc/26/29/09/646262909.db2.gz XGZHTZIZEPGTMM-QWRGUYRKSA-N 1 0 384.274 1.995 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)Cc3c(F)cccc3Cl)C2)CC1 ZINC000917892013 660223933 /nfs/dbraw/zinc/22/39/33/660223933.db2.gz VKICCSSXRCWFRZ-UHFFFAOYSA-N 1 0 375.897 1.488 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000917904620 660224337 /nfs/dbraw/zinc/22/43/37/660224337.db2.gz ZOFMPMXYLUGENJ-UHFFFAOYSA-N 1 0 377.432 1.573 20 0 GDADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000896222396 658758705 /nfs/dbraw/zinc/75/87/05/658758705.db2.gz ZPFPWYVZTDXGRT-NSHDSACASA-N 1 0 378.464 1.851 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000918477000 660236278 /nfs/dbraw/zinc/23/62/78/660236278.db2.gz BLZAAYYRRRYHSY-SNVBAGLBSA-N 1 0 398.257 1.369 20 0 GDADRO COc1cc(C)c(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1Cl ZINC000918962313 660244017 /nfs/dbraw/zinc/24/40/17/660244017.db2.gz KNUONEMJKUYXGM-INIZCTEOSA-N 1 0 376.906 1.734 20 0 GDADRO CN(Cc1ncc(Br)cn1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000919500973 660253183 /nfs/dbraw/zinc/25/31/83/660253183.db2.gz GUFIHRBQSQWKLT-UHFFFAOYSA-N 1 0 399.337 1.408 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000443098306 647180974 /nfs/dbraw/zinc/18/09/74/647180974.db2.gz OCSJOAZAKIKXPU-CHWSQXEVSA-N 1 0 389.543 1.966 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000443315325 647199531 /nfs/dbraw/zinc/19/95/31/647199531.db2.gz SWYYKSBBKDMGAK-UHFFFAOYSA-N 1 0 390.889 1.109 20 0 GDADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443806810 647225569 /nfs/dbraw/zinc/22/55/69/647225569.db2.gz VNXWSCPQXPBOQH-CYBMUJFWSA-N 1 0 384.274 1.877 20 0 GDADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443806811 647225718 /nfs/dbraw/zinc/22/57/18/647225718.db2.gz VNXWSCPQXPBOQH-ZDUSSCGKSA-N 1 0 384.274 1.877 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1F ZINC000444072741 647238928 /nfs/dbraw/zinc/23/89/28/647238928.db2.gz FIZYEMPETIUTHT-LBPRGKRZSA-N 1 0 384.395 1.970 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)C2 ZINC000920273996 660268403 /nfs/dbraw/zinc/26/84/03/660268403.db2.gz LSNFBICKZHRXRD-IXYNUQLISA-N 1 0 391.896 1.632 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)C[C@H]1C(C)(C)C1(F)F)C2 ZINC000920277128 660268821 /nfs/dbraw/zinc/26/88/21/660268821.db2.gz ZTTZFDHWWYXVEZ-NJURLYQPSA-N 1 0 380.501 1.677 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3nc(C)c(C)s3)C2)[C@H]1C(C)C ZINC000920303305 660269528 /nfs/dbraw/zinc/26/95/28/660269528.db2.gz NZHISRTZKSBNLR-KCYZZUKISA-N 1 0 387.571 1.908 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000445557066 647270289 /nfs/dbraw/zinc/27/02/89/647270289.db2.gz JGQTVOCYUWHNNX-VXGBXAGGSA-N 1 0 391.287 1.784 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)c1 ZINC000445782700 647274512 /nfs/dbraw/zinc/27/45/12/647274512.db2.gz GDFVLKLEDRJVDM-YPMHNXCESA-N 1 0 387.889 1.316 20 0 GDADRO O=S1(=O)CC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000920088510 660265515 /nfs/dbraw/zinc/26/55/15/660265515.db2.gz DVNKGFOFPQWXCM-MNOVXSKESA-N 1 0 398.706 1.619 20 0 GDADRO O=C(NCC[N@@H+]1CCCOCC1)NCc1cn2cc(Br)ccc2n1 ZINC000446502426 647290844 /nfs/dbraw/zinc/29/08/44/647290844.db2.gz VEUARFOMEZSWKX-UHFFFAOYSA-N 1 0 396.289 1.618 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000453807084 647337967 /nfs/dbraw/zinc/33/79/67/647337967.db2.gz OUAQLXKBCZNWCK-AWEZNQCLSA-N 1 0 398.301 1.659 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000453807041 647337996 /nfs/dbraw/zinc/33/79/96/647337996.db2.gz OIXKVDIJJPFRLB-SNVBAGLBSA-N 1 0 375.803 1.520 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)NCc2nn(C)cc2I)CCC[N@@H+]1C ZINC000454772689 647361206 /nfs/dbraw/zinc/36/12/06/647361206.db2.gz CPJGKBAEWOMUHA-KOLCDFICSA-N 1 0 391.257 1.307 20 0 GDADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1nn(C)cc1I ZINC000454975561 647366968 /nfs/dbraw/zinc/36/69/68/647366968.db2.gz OKLOSGASQYUQOS-JTQLQIEISA-N 1 0 393.273 1.553 20 0 GDADRO C[NH+](C)CCOCCNC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455612901 647384467 /nfs/dbraw/zinc/38/44/67/647384467.db2.gz FZTMPANYUUJIMF-UHFFFAOYSA-N 1 0 396.289 2.335 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000921175355 660283390 /nfs/dbraw/zinc/28/33/90/660283390.db2.gz XKKOUCDOOVGQLK-CABCVRRESA-N 1 0 388.921 1.405 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000921175357 660283595 /nfs/dbraw/zinc/28/35/95/660283595.db2.gz XKKOUCDOOVGQLK-HUUCEWRRSA-N 1 0 388.921 1.405 20 0 GDADRO C[NH+](C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1 ZINC000921234973 660284480 /nfs/dbraw/zinc/28/44/80/660284480.db2.gz TYOQVTRTFIFMHG-RKCSUWQLSA-N 1 0 386.539 1.428 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000458202012 647437542 /nfs/dbraw/zinc/43/75/42/647437542.db2.gz MXERSUIDVHIPGD-UHFFFAOYSA-N 1 0 387.552 1.678 20 0 GDADRO O=C(NCCc1nc(C(F)(F)F)cs1)NC[C@H]1CCC[N@H+]1CCCO ZINC000458460845 647441207 /nfs/dbraw/zinc/44/12/07/647441207.db2.gz FNTSSVBVAYOMGV-LLVKDONJSA-N 1 0 380.436 1.850 20 0 GDADRO 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CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1Cl ZINC000467498209 647644861 /nfs/dbraw/zinc/64/48/61/647644861.db2.gz CVQSWPBWPXCEEY-JTQLQIEISA-N 1 0 378.256 1.369 20 0 GDADRO C[NH+](C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1F ZINC000467496985 647644883 /nfs/dbraw/zinc/64/48/83/647644883.db2.gz YXKGNKLWONTSJH-GFCCVEGCSA-N 1 0 396.481 1.094 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000468848898 647679415 /nfs/dbraw/zinc/67/94/15/647679415.db2.gz FSOZSYRNOYWRIL-AWEZNQCLSA-N 1 0 391.628 1.538 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000468938991 647685355 /nfs/dbraw/zinc/68/53/55/647685355.db2.gz JZCUJZZUYNNZPV-BZNIZROVSA-N 1 0 386.290 1.885 20 0 GDADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000468981607 647688818 /nfs/dbraw/zinc/68/88/18/647688818.db2.gz OWRFKSMGPCDQGX-CVEARBPZSA-N 1 0 377.551 1.605 20 0 GDADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000469119350 647698184 /nfs/dbraw/zinc/69/81/84/647698184.db2.gz UQBZQAFPOWJPKV-MLGOLLRUSA-N 1 0 394.921 1.345 20 0 GDADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000469773526 647715795 /nfs/dbraw/zinc/71/57/95/647715795.db2.gz ZJNLQMVZMHIJFT-JKSUJKDBSA-N 1 0 393.619 1.817 20 0 GDADRO CC(C)[NH+](CCCNC(=O)NCCS(=O)(=O)N1CCSCC1)C(C)C ZINC000470490855 647728215 /nfs/dbraw/zinc/72/82/15/647728215.db2.gz BVDUUKQHRXKBEQ-UHFFFAOYSA-N 1 0 394.607 1.173 20 0 GDADRO CCC[NH+](CCC)CCCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000477520152 647807464 /nfs/dbraw/zinc/80/74/64/647807464.db2.gz CUEGJTITBCPIOO-UHFFFAOYSA-N 1 0 397.607 1.090 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1C ZINC000480469745 647850199 /nfs/dbraw/zinc/85/01/99/647850199.db2.gz KLKLVNZUPBUIBC-UHFFFAOYSA-N 1 0 389.543 1.056 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccsc1 ZINC000480913803 647860496 /nfs/dbraw/zinc/86/04/96/647860496.db2.gz VRXTUIYQOVJOIN-HNNXBMFYSA-N 1 0 380.539 1.946 20 0 GDADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000480986904 647865968 /nfs/dbraw/zinc/86/59/68/647865968.db2.gz LAHZKHXCPBWECB-UHFFFAOYSA-N 1 0 381.420 1.832 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000484237430 647912805 /nfs/dbraw/zinc/91/28/05/647912805.db2.gz WYZPNBKRIOVMOM-RKDXNWHRSA-N 1 0 384.221 1.977 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000485435759 647925967 /nfs/dbraw/zinc/92/59/67/647925967.db2.gz IWOSUQSRTRMTOW-BBRMVZONSA-N 1 0 385.917 1.371 20 0 GDADRO CS(=O)(=O)c1ccc(-c2csc(CC(=O)NCC[NH+]3CCC3)n2)cc1 ZINC000487292474 647947318 /nfs/dbraw/zinc/94/73/18/647947318.db2.gz PJZZBLJXOSXLID-UHFFFAOYSA-N 1 0 379.507 1.578 20 0 GDADRO Cc1nc2ccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc2s1 ZINC000489437471 647974379 /nfs/dbraw/zinc/97/43/79/647974379.db2.gz ZMTXGECTYYMCAL-UHFFFAOYSA-N 1 0 387.527 1.166 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)Oc1ccccc1Br ZINC000490824728 647990299 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CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1F ZINC000497355043 648026326 /nfs/dbraw/zinc/02/63/26/648026326.db2.gz QCUGYMQHWVRCNF-SMDDNHRTSA-N 1 0 393.506 1.334 20 0 GDADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000497362538 648027520 /nfs/dbraw/zinc/02/75/20/648027520.db2.gz FXSUEAXCCVAWNI-UHFFFAOYSA-N 1 0 384.424 1.113 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000497369390 648028380 /nfs/dbraw/zinc/02/83/80/648028380.db2.gz QJWOZYRVQZMWOB-MFKMUULPSA-N 1 0 380.919 1.242 20 0 GDADRO CO[C@H](C)c1nc(CN2CCCN(C(=O)[C@H]([NH3+])CC(F)F)CC2)cs1 ZINC000498212549 648051757 /nfs/dbraw/zinc/05/17/57/648051757.db2.gz QBOWZWVDGSRLBX-DGCLKSJQSA-N 1 0 376.473 1.867 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000498295584 648054408 /nfs/dbraw/zinc/05/44/08/648054408.db2.gz YEMVVSROFCTZGT-UHFFFAOYSA-N 1 0 388.921 1.079 20 0 GDADRO Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000499107581 648075532 /nfs/dbraw/zinc/07/55/32/648075532.db2.gz YCDUGQKZGSACNF-INIZCTEOSA-N 1 0 388.555 1.433 20 0 GDADRO CN(CC(=O)N1CC[NH+](C2CCC2)CC1)C(=O)c1ccc(Br)o1 ZINC000499630459 648086679 /nfs/dbraw/zinc/08/66/79/648086679.db2.gz IIAQQBFPXVLQTQ-UHFFFAOYSA-N 1 0 384.274 1.811 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000500014927 648096667 /nfs/dbraw/zinc/09/66/67/648096667.db2.gz BUAAGSZWAMLFLM-RBSFLKMASA-N 1 0 379.592 1.284 20 0 GDADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000500216224 648104402 /nfs/dbraw/zinc/10/44/02/648104402.db2.gz DYHYZGWJDPCICQ-LBPRGKRZSA-N 1 0 392.319 1.333 20 0 GDADRO CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000501032311 648125955 /nfs/dbraw/zinc/12/59/55/648125955.db2.gz CSYQFQRFMJVNNL-DZGCQCFKSA-N 1 0 383.539 1.577 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501161271 648132122 /nfs/dbraw/zinc/13/21/22/648132122.db2.gz FPSQRGKPINMRTD-UHFFFAOYSA-N 1 0 375.516 1.672 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)s1 ZINC000501550561 648142649 /nfs/dbraw/zinc/14/26/49/648142649.db2.gz KSQNMQQCGQFETL-STQMWFEESA-N 1 0 388.559 1.718 20 0 GDADRO COC(=O)CN(C)C(=O)CC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501561400 648143159 /nfs/dbraw/zinc/14/31/59/648143159.db2.gz LPLTWJJUCNDIQL-CYBMUJFWSA-N 1 0 385.258 1.884 20 0 GDADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000502858692 648175478 /nfs/dbraw/zinc/17/54/78/648175478.db2.gz SUSQBGFDOYMQJO-GXFFZTMASA-N 1 0 375.878 1.067 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000504583784 648207505 /nfs/dbraw/zinc/20/75/05/648207505.db2.gz ZTOBKRPFVRHVCR-MRXNPFEDSA-N 1 0 386.290 1.379 20 0 GDADRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000507223024 648238750 /nfs/dbraw/zinc/23/87/50/648238750.db2.gz XQTIDSJTOJUXHQ-HOTUBEGUSA-N 1 0 375.416 1.888 20 0 GDADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000508876009 648261832 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CN1CCN(C(=O)CC[N@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000513966514 648448323 /nfs/dbraw/zinc/44/83/23/648448323.db2.gz SEWUKWWXFMHGAG-UHFFFAOYSA-N 1 0 384.318 1.924 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000514728417 648462618 /nfs/dbraw/zinc/46/26/18/648462618.db2.gz UMADHFXFRCONMA-UWVGGRQHSA-N 1 0 382.313 1.904 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCc3c(Br)cccc3C2)CCC1 ZINC000514808345 648466740 /nfs/dbraw/zinc/46/67/40/648466740.db2.gz CTKQKDBHWQVYCZ-UHFFFAOYSA-N 1 0 394.313 1.934 20 0 GDADRO C[C@@]1(CNC(=O)CS(=O)(=O)c2cccc(Br)c2)CCC[NH2+]C1 ZINC000514938360 648472519 /nfs/dbraw/zinc/47/25/19/648472519.db2.gz HTLXPCMAXYHKPG-OAHLLOKOSA-N 1 0 389.315 1.729 20 0 GDADRO O=C(NC[C@H](CO)Cc1ccccc1Br)NCC1CC[NH2+]CC1 ZINC000515047668 648477204 /nfs/dbraw/zinc/47/72/04/648477204.db2.gz FVVKKUSEKSNKPD-CQSZACIVSA-N 1 0 384.318 1.899 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000515054468 648477921 /nfs/dbraw/zinc/47/79/21/648477921.db2.gz 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GDADRO CCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000572475497 651098188 /nfs/dbraw/zinc/09/81/88/651098188.db2.gz GLDPJXJNQCXLFD-MRXNPFEDSA-N 1 0 390.933 1.621 20 0 GDADRO CC[NH2+]CCCNC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000572612761 651100465 /nfs/dbraw/zinc/10/04/65/651100465.db2.gz CYIPYJUNCFBPHP-UHFFFAOYSA-N 1 0 382.408 1.648 20 0 GDADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000572752655 651104837 /nfs/dbraw/zinc/10/48/37/651104837.db2.gz AWMNWTIXRYIRSU-LSDHHAIUSA-N 1 0 387.274 1.168 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1OC ZINC000572761930 651105188 /nfs/dbraw/zinc/10/51/88/651105188.db2.gz MZMURABXGDJQDI-ZJUUUORDSA-N 1 0 376.862 1.493 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3scnc3C3CC3)CC2)cn1 ZINC000572910184 651462575 /nfs/dbraw/zinc/46/25/75/651462575.db2.gz MMVYUNCXPIFYJA-UHFFFAOYSA-N 1 0 381.527 1.697 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c1OC ZINC000573089330 651467586 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COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000573504983 651481491 /nfs/dbraw/zinc/48/14/91/651481491.db2.gz CWTFFFXSXWFLDL-GXTWGEPZSA-N 1 0 396.285 1.712 20 0 GDADRO CN(CCCC(=O)N[C@@H](CC[NH3+])C(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC000573606333 651486310 /nfs/dbraw/zinc/48/63/10/651486310.db2.gz SBLVBPCZTAUSFK-ZDUSSCGKSA-N 1 0 381.420 1.325 20 0 GDADRO COCc1nc(CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)cs1 ZINC000573646885 651488293 /nfs/dbraw/zinc/48/82/93/651488293.db2.gz HBPCCTQMIFGYAD-UHFFFAOYSA-N 1 0 387.531 1.143 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCC[C@H]([NH2+]C)C1 ZINC000573684452 651490911 /nfs/dbraw/zinc/49/09/11/651490911.db2.gz JQVDZWALWIDWBH-HNNXBMFYSA-N 1 0 388.555 1.328 20 0 GDADRO C[C@@H](NC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)N(C)C ZINC000573704686 651492187 /nfs/dbraw/zinc/49/21/87/651492187.db2.gz XLOGIEPDIPRFEP-MEBBXXQBSA-N 1 0 383.290 1.478 20 0 GDADRO COc1cc(Br)cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000573817808 651497414 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GDADRO Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000576038653 651621126 /nfs/dbraw/zinc/62/11/26/651621126.db2.gz HDSUMUCKBHJNBW-CQSZACIVSA-N 1 0 385.917 1.481 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000576347107 651656314 /nfs/dbraw/zinc/65/63/14/651656314.db2.gz YLEMQQXQXDNEGX-ZANVPECISA-N 1 0 388.693 1.833 20 0 GDADRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000576465537 651666883 /nfs/dbraw/zinc/66/68/83/651666883.db2.gz CWCWAMTYFBCLSQ-VBQJREDUSA-N 1 0 378.270 1.448 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000576569332 651671788 /nfs/dbraw/zinc/67/17/88/651671788.db2.gz OUAFGYVIFUUFCO-KGLIPLIRSA-N 1 0 397.317 1.642 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1CCN(C)CC1 ZINC000576816095 651688899 /nfs/dbraw/zinc/68/88/99/651688899.db2.gz LPCZYYCWJUTMGH-UHFFFAOYSA-N 1 0 388.555 1.328 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)Cc1cc2c(cc1Br)OCCCO2 ZINC000576823830 651689765 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COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@@H](O)CSC)c1 ZINC000577275870 651721398 /nfs/dbraw/zinc/72/13/98/651721398.db2.gz QVNCMEGLZCFRGV-LLVKDONJSA-N 1 0 391.331 1.891 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCc1cc(Cl)ccc1Br ZINC000577280414 651721757 /nfs/dbraw/zinc/72/17/57/651721757.db2.gz RBCIBUXEJHCORQ-SNVBAGLBSA-N 1 0 388.693 1.835 20 0 GDADRO O[C@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)CN1CCOCC1 ZINC000577610631 651741908 /nfs/dbraw/zinc/74/19/08/651741908.db2.gz ORTBWSNBTURJEU-OLZOCXBDSA-N 1 0 379.284 1.016 20 0 GDADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)c(Cl)c3)[C@H]2C1 ZINC000577727735 651747920 /nfs/dbraw/zinc/74/79/20/651747920.db2.gz AMSYWAQYOHTOBI-DZKIICNBSA-N 1 0 385.917 1.724 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2C)c(C)c[nH+]1 ZINC000577866042 651760074 /nfs/dbraw/zinc/76/00/74/651760074.db2.gz WRRABSMOSJASLI-IUODEOHRSA-N 1 0 389.543 1.360 20 0 GDADRO [NH3+]CCC1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)CC1 ZINC000577880921 651761766 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CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000578540334 651798945 /nfs/dbraw/zinc/79/89/45/651798945.db2.gz VWOITIGPEWRSFD-ZBFHGGJFSA-N 1 0 389.949 1.675 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000578639335 651803055 /nfs/dbraw/zinc/80/30/55/651803055.db2.gz FPVNQLGNQQAWBE-VGTOOOLASA-N 1 0 396.285 1.677 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000578834279 651818228 /nfs/dbraw/zinc/81/82/28/651818228.db2.gz UBRRXBNTOVMRHY-OLZOCXBDSA-N 1 0 386.279 1.841 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)c1 ZINC000578898810 651823348 /nfs/dbraw/zinc/82/33/48/651823348.db2.gz FWERKLPVCCHAIO-UHFFFAOYSA-N 1 0 380.388 1.994 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000579005362 651831516 /nfs/dbraw/zinc/83/15/16/651831516.db2.gz HDSOBMIXDIAZQZ-JOYOIKCWSA-N 1 0 381.832 1.120 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 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BDNRRPSESQCTFC-NSHDSACASA-N 1 0 386.265 1.315 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000579464266 651861554 /nfs/dbraw/zinc/86/15/54/651861554.db2.gz IHOLZOQTKPMKDH-XJKSGUPXSA-N 1 0 378.922 1.696 20 0 GDADRO CN(C)S(=O)(=O)n1ccnc1CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000579536769 651865877 /nfs/dbraw/zinc/86/58/77/651865877.db2.gz KKDRUYHEJWNGRS-GOEBONIOSA-N 1 0 384.889 1.811 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000579943873 651886761 /nfs/dbraw/zinc/88/67/61/651886761.db2.gz WISGTZMNAFMLNI-CYBMUJFWSA-N 1 0 384.420 1.363 20 0 GDADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000580072477 651893574 /nfs/dbraw/zinc/89/35/74/651893574.db2.gz JABATUOOWUNFMJ-RYUDHWBXSA-N 1 0 393.481 1.405 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)c1ccc(Br)cn1 ZINC000580116149 651898128 /nfs/dbraw/zinc/89/81/28/651898128.db2.gz GNUDDQVCOLMHGM-NEPJUHHUSA-N 1 0 383.290 1.574 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCc4ccc(Br)cc43)C[C@@H]12 ZINC000580170028 651901147 /nfs/dbraw/zinc/90/11/47/651901147.db2.gz FMLQUESKPSQJRN-IACUBPJLSA-N 1 0 378.270 1.534 20 0 GDADRO Cc1sc2c(cccc2C)c1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580216915 651905542 /nfs/dbraw/zinc/90/55/42/651905542.db2.gz MIRHRGODTJWODM-JSGCOSHPSA-N 1 0 379.507 1.451 20 0 GDADRO OCC[C@]1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCOC1 ZINC000580327763 651912772 /nfs/dbraw/zinc/91/27/72/651912772.db2.gz URKRQCPLYUBOFD-GOEBONIOSA-N 1 0 392.265 1.707 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000580534016 651923501 /nfs/dbraw/zinc/92/35/01/651923501.db2.gz IKAMJNUKXFTACU-CQSZACIVSA-N 1 0 383.290 1.623 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000580541057 651923867 /nfs/dbraw/zinc/92/38/67/651923867.db2.gz NQNCEQFFRWCLQS-SOUVJXGZSA-N 1 0 380.286 1.632 20 0 GDADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000580762347 651937207 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CC(C)(C[NH3+])Cn1cc(CN2c3ccc(Br)cc3C(=O)C2=O)nn1 ZINC000630591456 653217752 /nfs/dbraw/zinc/21/77/52/653217752.db2.gz BPKRZUJQJMRQJO-UHFFFAOYSA-N 1 0 392.257 1.755 20 0 GDADRO O=C(COc1ccc(Br)cn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000630753232 653222142 /nfs/dbraw/zinc/22/21/42/653222142.db2.gz FQMLHPAGUQMGKU-UHFFFAOYSA-N 1 0 398.301 1.794 20 0 GDADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCO1 ZINC000631154104 653230267 /nfs/dbraw/zinc/23/02/67/653230267.db2.gz DTOOXTKFPFSINN-JSGCOSHPSA-N 1 0 384.889 1.731 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2cc(Br)c3nccn3c2)CCOCC1 ZINC000631307105 653234445 /nfs/dbraw/zinc/23/44/45/653234445.db2.gz FIOKNPJYUBKHCY-UHFFFAOYSA-N 1 0 381.274 1.937 20 0 GDADRO CN(CCOc1ccc(Cl)cc1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631655315 653242292 /nfs/dbraw/zinc/24/22/92/653242292.db2.gz PQYGMRBOLPLBST-UHFFFAOYSA-N 1 0 389.949 1.618 20 0 GDADRO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000631697678 653244296 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Cc1cc(Br)cc(C)c1CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916980 653269978 /nfs/dbraw/zinc/26/99/78/653269978.db2.gz JELXIKFQOSRCNP-ZDUSSCGKSA-N 1 0 377.304 1.474 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCc2cccc(Br)c2C1 ZINC000631920945 653271165 /nfs/dbraw/zinc/27/11/65/653271165.db2.gz JTQZGOKAQWAFDQ-UHFFFAOYSA-N 1 0 388.331 1.736 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCc1ccc(Br)cc1 ZINC000631921153 653271463 /nfs/dbraw/zinc/27/14/63/653271463.db2.gz OMMOHCSQVMTMCV-UHFFFAOYSA-N 1 0 376.320 1.510 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000631927005 653272532 /nfs/dbraw/zinc/27/25/32/653272532.db2.gz NBDJGDNMZRNYLB-JTQLQIEISA-N 1 0 380.333 1.809 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000631947939 653277015 /nfs/dbraw/zinc/27/70/15/653277015.db2.gz QBKVQQJINIQKFN-RISCZKNCSA-N 1 0 378.853 1.171 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000631949842 653277308 /nfs/dbraw/zinc/27/73/08/653277308.db2.gz 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ZINC000632087885 653303211 /nfs/dbraw/zinc/30/32/11/653303211.db2.gz JZOIUVKVDDXREW-BDAKNGLRSA-N 1 0 380.333 1.950 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cnn(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000632124362 653309186 /nfs/dbraw/zinc/30/91/86/653309186.db2.gz AEPVOPFASPCTBR-ZDUSSCGKSA-N 1 0 378.445 1.249 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632130134 653310712 /nfs/dbraw/zinc/31/07/12/653310712.db2.gz YYTKDUXNKNKSOG-VWYCJHECSA-N 1 0 382.408 1.301 20 0 GDADRO Cc1c(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC000632349945 653342634 /nfs/dbraw/zinc/34/26/34/653342634.db2.gz PLYKYTARGFBLID-GJZGRUSLSA-N 1 0 384.889 1.130 20 0 GDADRO C[NH+](C)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)C[C@@H]1O ZINC000632350090 653342888 /nfs/dbraw/zinc/34/28/88/653342888.db2.gz VULQKFDEPLHNRF-QWRGUYRKSA-N 1 0 383.695 1.398 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1 ZINC000632369333 653347945 /nfs/dbraw/zinc/34/79/45/653347945.db2.gz 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CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000647528870 653628241 /nfs/dbraw/zinc/62/82/41/653628241.db2.gz MBFIPLGMQISGKE-LSDHHAIUSA-N 1 0 389.539 1.395 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000647595675 653629666 /nfs/dbraw/zinc/62/96/66/653629666.db2.gz YLLSSCFTXOGQLY-DCAQKATOSA-N 1 0 386.290 1.877 20 0 GDADRO Cc1ccc(OCCC(=O)N(C)CCN2CC[NH2+]CC2)c(Br)c1 ZINC000647776115 653633985 /nfs/dbraw/zinc/63/39/85/653633985.db2.gz QXAPVSVSDBTQJK-UHFFFAOYSA-N 1 0 384.318 1.890 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(F)cc1Cl ZINC000648031750 653637664 /nfs/dbraw/zinc/63/76/64/653637664.db2.gz CXEARKQXRCUQSG-LLVKDONJSA-N 1 0 387.868 1.285 20 0 GDADRO O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N[C@H]1CCC[NH2+]CC1 ZINC000648119540 653639131 /nfs/dbraw/zinc/63/91/31/653639131.db2.gz CQAKVQQWYSCZBV-LBPRGKRZSA-N 1 0 394.269 1.694 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648124135 653639366 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/nfs/dbraw/zinc/67/71/68/653677168.db2.gz CFSWEIVRGWHNKW-LBPRGKRZSA-N 1 0 375.300 1.740 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1=O ZINC000650303928 653690357 /nfs/dbraw/zinc/69/03/57/653690357.db2.gz WXXZVZYHJIGWCE-UHFFFAOYSA-N 1 0 398.257 1.024 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)CCc2cccc(Br)c2)CC1=O ZINC000650300448 653690500 /nfs/dbraw/zinc/69/05/00/653690500.db2.gz CYTSUCXNLCNCGT-UHFFFAOYSA-N 1 0 382.302 1.614 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)Cc2ccc(F)cc2Br)CC1=O ZINC000650307663 653691001 /nfs/dbraw/zinc/69/10/01/653691001.db2.gz IZGIUEYDDXLRJP-UHFFFAOYSA-N 1 0 386.265 1.363 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650307658 653691071 /nfs/dbraw/zinc/69/10/71/653691071.db2.gz IWMFEHIIFATSLR-UHFFFAOYSA-N 1 0 399.289 1.007 20 0 GDADRO NS(=O)(=O)CCCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650414606 653693432 /nfs/dbraw/zinc/69/34/32/653693432.db2.gz PMBWAFJZGRLLSZ-UHFFFAOYSA-N 1 0 386.543 1.675 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)[C@@H](C)C1 ZINC000651576648 653833853 /nfs/dbraw/zinc/83/38/53/653833853.db2.gz MXZPRMWUTRYRBB-SUMWQHHRSA-N 1 0 386.539 1.466 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1=O ZINC000651792203 653856683 /nfs/dbraw/zinc/85/66/83/653856683.db2.gz ITPQPQLJCUTQSU-UHFFFAOYSA-N 1 0 380.297 1.388 20 0 GDADRO CC[N@H+](CCCNS(=O)(=O)CC1CCS(=O)(=O)CC1)C1CCCCC1 ZINC000651803814 653858310 /nfs/dbraw/zinc/85/83/10/653858310.db2.gz ITGJVVGIVRVODJ-UHFFFAOYSA-N 1 0 394.603 1.775 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)cc1C ZINC000651926361 653871900 /nfs/dbraw/zinc/87/19/00/653871900.db2.gz RAXFZDVKZPKXFO-UHFFFAOYSA-N 1 0 389.543 1.010 20 0 GDADRO CCO[C@@H]1CN(C(=O)NCc2cc(OC)ccc2Br)C[C@H]1C[NH3+] ZINC000652134546 653882598 /nfs/dbraw/zinc/88/25/98/653882598.db2.gz XJQMIFWNYOAKSM-IUODEOHRSA-N 1 0 386.290 1.963 20 0 GDADRO [NH3+]CC1(CCNC(=O)NCCCNC(=O)c2cccc(Br)c2)CC1 ZINC000652144023 653882858 /nfs/dbraw/zinc/88/28/58/653882858.db2.gz RIGHNVUSIIAMFG-UHFFFAOYSA-N 1 0 397.317 1.997 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCc3n[nH]cc3Br)C2)C1 ZINC000652154946 653882921 /nfs/dbraw/zinc/88/29/21/653882921.db2.gz SMMKUYTXNPUNFS-MISXGVKJSA-N 1 0 386.294 1.600 20 0 GDADRO CCO[C@@H]1CN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C[C@H]1C[NH3+] ZINC000652193594 653884758 /nfs/dbraw/zinc/88/47/58/653884758.db2.gz NVFNDIRUNIHROQ-UZGDPCLZSA-N 1 0 387.527 1.360 20 0 GDADRO [NH3+]C[C@]12CCC[C@H]1CN(Cc1nnnn1-c1ccccc1Br)C2 ZINC000652352046 653888127 /nfs/dbraw/zinc/88/81/27/653888127.db2.gz YXGKTKVWZMMBOJ-LRDDRELGSA-N 1 0 377.290 1.986 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000652637547 653895072 /nfs/dbraw/zinc/89/50/72/653895072.db2.gz YWWKRMKTOOPQSV-NOZJJQNGSA-N 1 0 388.237 1.349 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)C[C@H]1C[NH3+] ZINC000652636924 653895287 /nfs/dbraw/zinc/89/52/87/653895287.db2.gz DCEASZBGRYGUQM-BXUZGUMPSA-N 1 0 384.274 1.518 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCC1CC[NH2+]CC1)c1ccc(Br)cn1 ZINC000652668962 653896072 /nfs/dbraw/zinc/89/60/72/653896072.db2.gz RFRUNXPMIIOQQD-NSHDSACASA-N 1 0 383.290 1.527 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)C2=O)ccc1Br ZINC000653155279 653907202 /nfs/dbraw/zinc/90/72/02/653907202.db2.gz NVIQNIYWEXVUQH-GJZGRUSLSA-N 1 0 397.317 1.258 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCC1CC[NH2+]CC1 ZINC000653273610 653909464 /nfs/dbraw/zinc/90/94/64/653909464.db2.gz IRRHDBMSZYJVGK-UHFFFAOYSA-N 1 0 394.324 1.778 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)Nc2nc3cc(Br)ccn3n2)cn1 ZINC000653595233 653918079 /nfs/dbraw/zinc/91/80/79/653918079.db2.gz IDBHJNGTYIZZMF-UHFFFAOYSA-N 1 0 393.249 1.316 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)s1 ZINC000654308059 653933473 /nfs/dbraw/zinc/93/34/73/653933473.db2.gz VOZZMHCTSFPQCS-GJZGRUSLSA-N 1 0 385.555 1.587 20 0 GDADRO CN(C(=O)CS(=O)(=O)NC(C)(C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000654544545 653939957 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383.539 1.407 20 0 GDADRO [NH3+]C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)(F)F ZINC000655506045 653971743 /nfs/dbraw/zinc/97/17/43/653971743.db2.gz MWZKHKPGRAAJRZ-CYBMUJFWSA-N 1 0 379.404 1.481 20 0 GDADRO Cc1csc(-c2ccc(S(=O)(=O)NCC3(O)CC[NH+](C)CC3)cc2)n1 ZINC000655521842 653973985 /nfs/dbraw/zinc/97/39/85/653973985.db2.gz KLLMLZMYYUAKQG-UHFFFAOYSA-N 1 0 381.523 1.854 20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000655541576 653974603 /nfs/dbraw/zinc/97/46/03/653974603.db2.gz KHWIJEQGSWSKLC-AWEZNQCLSA-N 1 0 379.320 1.490 20 0 GDADRO COCCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000655617756 653980783 /nfs/dbraw/zinc/98/07/83/653980783.db2.gz YBSMAZICYYOYBY-CQSZACIVSA-N 1 0 384.420 1.309 20 0 GDADRO O=C(NCc1cn(-c2cc(Br)ccc2O)nn1)C1CC[NH2+]CC1 ZINC000656457443 654030703 /nfs/dbraw/zinc/03/07/03/654030703.db2.gz WTVWBPZBVISXLE-UHFFFAOYSA-N 1 0 380.246 1.351 20 0 GDADRO COC[C@@H](CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1)OC ZINC000656706274 654047625 /nfs/dbraw/zinc/04/76/25/654047625.db2.gz XJBIGQRRGLESQW-CYBMUJFWSA-N 1 0 380.304 1.864 20 0 GDADRO CO[C@@H](CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCOC1 ZINC000656876013 654061625 /nfs/dbraw/zinc/06/16/25/654061625.db2.gz XNWOCYGCBVMAGR-CVEARBPZSA-N 1 0 392.587 1.319 20 0 GDADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)C1 ZINC000656898231 654067570 /nfs/dbraw/zinc/06/75/70/654067570.db2.gz LLODAJIHRYWBFO-BRWVUGGUSA-N 1 0 376.563 1.858 20 0 GDADRO CO[C@@H](CS(=O)(=O)NCC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCOC1 ZINC000656926162 654073817 /nfs/dbraw/zinc/07/38/17/654073817.db2.gz AKDPIRJLDNEQLK-MSOLQXFVSA-N 1 0 376.563 1.715 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656961821 654078726 /nfs/dbraw/zinc/07/87/26/654078726.db2.gz QLLYUDSMQHDHQH-UHFFFAOYSA-N 1 0 383.283 1.322 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br)[NH+](C)C ZINC000657090728 654107757 /nfs/dbraw/zinc/10/77/57/654107757.db2.gz ILVYWSYOCGLSPP-MRVPVSSYSA-N 1 0 391.291 1.650 20 0 GDADRO CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000657090120 654107765 /nfs/dbraw/zinc/10/77/65/654107765.db2.gz FPCTXEZHKGOCBX-CQSZACIVSA-N 1 0 391.559 1.239 20 0 GDADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000657983498 654175176 /nfs/dbraw/zinc/17/51/76/654175176.db2.gz VHBQSAXVBZSMNB-CYBMUJFWSA-N 1 0 385.917 1.963 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000658366141 654185722 /nfs/dbraw/zinc/18/57/22/654185722.db2.gz ZAUJSYLJRXUFPQ-NSHDSACASA-N 1 0 377.869 1.096 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2C1 ZINC000658375839 654186629 /nfs/dbraw/zinc/18/66/29/654186629.db2.gz NOHQDSWQLOHHFL-NWANDNLSSA-N 1 0 383.539 1.401 20 0 GDADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000658406130 654190563 /nfs/dbraw/zinc/19/05/63/654190563.db2.gz HDRYIHLRXXBZMG-LLVKDONJSA-N 1 0 393.303 1.872 20 0 GDADRO CCN(C(=O)C(=O)N(C)Cc1ccc(Br)o1)[C@@H]1CC[N@H+](CC)C1 ZINC000658830111 654208169 /nfs/dbraw/zinc/20/81/69/654208169.db2.gz PXXXBTVKMXLQMV-GFCCVEGCSA-N 1 0 386.290 1.943 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC(C)(C)c3ccc(Br)cc32)C1 ZINC000659073520 654215344 /nfs/dbraw/zinc/21/53/44/654215344.db2.gz DASRORHNOCMTOH-GFCCVEGCSA-N 1 0 380.286 1.894 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000659114068 654215746 /nfs/dbraw/zinc/21/57/46/654215746.db2.gz SBYBGLXPVHEHEZ-SNVBAGLBSA-N 1 0 384.267 1.901 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)c1cn(CC[NH3+])nn1 ZINC000659251298 654219008 /nfs/dbraw/zinc/21/90/08/654219008.db2.gz CWLMSSKHROOEDR-UHFFFAOYSA-N 1 0 382.262 1.540 20 0 GDADRO C[C@@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)[C@@H]1CCC[NH2+]C1 ZINC000659295373 654220712 /nfs/dbraw/zinc/22/07/12/654220712.db2.gz RNNDJJAGMGTSJZ-GHMZBOCLSA-N 1 0 379.262 1.543 20 0 GDADRO C[C@@H](COc1c(F)cccc1F)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000659357315 654223710 /nfs/dbraw/zinc/22/37/10/654223710.db2.gz XGDXNFKAQDNYGF-NSHDSACASA-N 1 0 376.425 1.015 20 0 GDADRO COCC[NH2+]CCNC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659526641 654228239 /nfs/dbraw/zinc/22/82/39/654228239.db2.gz DJDPDHKJHMLHDC-OAHLLOKOSA-N 1 0 386.290 1.768 20 0 GDADRO CC1(CNC(=O)NCCNC(=O)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000659529054 654228303 /nfs/dbraw/zinc/22/83/03/654228303.db2.gz IMGAACUETRFLIG-UHFFFAOYSA-N 1 0 398.305 1.263 20 0 GDADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)NCC12CC(C1)C[NH2+]2 ZINC000659615074 654229965 /nfs/dbraw/zinc/22/99/65/654229965.db2.gz VDJJKWZYEBCKKO-TUBUQKNSSA-N 1 0 382.302 1.651 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659620065 654230430 /nfs/dbraw/zinc/23/04/30/654230430.db2.gz GFEGABIWIAGIBO-GFCCVEGCSA-N 1 0 386.294 1.247 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)s1 ZINC000660155301 654241901 /nfs/dbraw/zinc/24/19/01/654241901.db2.gz BATJCGYRXNOPLC-AWEZNQCLSA-N 1 0 389.543 1.116 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)C1 ZINC000661513920 654273432 /nfs/dbraw/zinc/27/34/32/654273432.db2.gz JJDVUKNQALHVFK-LBPRGKRZSA-N 1 0 386.543 1.336 20 0 GDADRO CN1CCN(C(=O)CC[NH+]2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC000661576116 654275871 /nfs/dbraw/zinc/27/58/71/654275871.db2.gz FOHANHMNBJNONV-UHFFFAOYSA-N 1 0 395.345 1.735 20 0 GDADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N(C)CC(C)(C)[NH3+] ZINC000662296697 654292718 /nfs/dbraw/zinc/29/27/18/654292718.db2.gz FHDCPHMSWDFPJM-LLVKDONJSA-N 1 0 390.937 1.586 20 0 GDADRO CC[C@H]([NH2+]C)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000662458109 654293537 /nfs/dbraw/zinc/29/35/37/654293537.db2.gz VNDSEVKQOBNICC-HNNXBMFYSA-N 1 0 398.301 1.497 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000662464480 654294656 /nfs/dbraw/zinc/29/46/56/654294656.db2.gz HGAUXRGHSOIHLV-GJZGRUSLSA-N 1 0 386.279 1.642 20 0 GDADRO CC(C)C[C@H](C[NH3+])CC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000662621079 654298429 /nfs/dbraw/zinc/29/84/29/654298429.db2.gz CTRCEGBUMXVCMG-LBPRGKRZSA-N 1 0 385.306 1.701 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000662677651 654299396 /nfs/dbraw/zinc/29/93/96/654299396.db2.gz OZIGBBFUEBSYCB-UHFFFAOYSA-N 1 0 377.242 1.109 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680964 654299661 /nfs/dbraw/zinc/29/96/61/654299661.db2.gz QFMYZSKGKYOBSY-UHFFFAOYSA-N 1 0 387.299 1.724 20 0 GDADRO CCc1nc(CN2CCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CC2)cs1 ZINC000662703957 654300508 /nfs/dbraw/zinc/30/05/08/654300508.db2.gz XHNQYHOMTXXMLE-HNNXBMFYSA-N 1 0 376.448 1.892 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)CNC(=O)c2ccc(Br)cc2)nn1C ZINC000662837398 654304849 /nfs/dbraw/zinc/30/48/49/654304849.db2.gz QQKMYPXJCPFCKQ-UHFFFAOYSA-N 1 0 380.246 1.318 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)C[C@H]1C(F)(F)F ZINC000662850996 654309975 /nfs/dbraw/zinc/30/99/75/654309975.db2.gz UNNPMAKAFKJPJY-ZIAGYGMSSA-N 1 0 376.400 1.380 20 0 GDADRO [NH3+]C1(CNC(=O)c2sccc2S(=O)(=O)N2CCSCC2)CCCC1 ZINC000662865245 654312976 /nfs/dbraw/zinc/31/29/76/654312976.db2.gz MSXFLYDLWKEXJA-UHFFFAOYSA-N 1 0 389.568 1.487 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2nnc3ccc(Br)cn32)CC1 ZINC000663738522 654351170 /nfs/dbraw/zinc/35/11/70/654351170.db2.gz BRVALSFESSZVLB-ZDUSSCGKSA-N 1 0 393.289 1.410 20 0 GDADRO O=C(NCc1n[nH]cc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664177848 654368121 /nfs/dbraw/zinc/36/81/21/654368121.db2.gz UGAWDVCUQPQPML-GFCCVEGCSA-N 1 0 386.294 1.569 20 0 GDADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290949 654402750 /nfs/dbraw/zinc/40/27/50/654402750.db2.gz PNDJNSPGENNTLF-SNVBAGLBSA-N 1 0 394.273 1.910 20 0 GDADRO NS(=O)(=O)c1ccc(CN[C@H]2CC[N@H+](CC3CC3)C2)cc1Br ZINC000666267383 654421748 /nfs/dbraw/zinc/42/17/48/654421748.db2.gz ATRUWYDFHGJLAS-ZDUSSCGKSA-N 1 0 388.331 1.670 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCN2CCSCC2)cc1Br ZINC000666272120 654422147 /nfs/dbraw/zinc/42/21/47/654422147.db2.gz NJWBAGGLDHZFKL-UHFFFAOYSA-N 1 0 394.360 1.235 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)/C=C\c1ccccc1Br ZINC000768908312 654441343 /nfs/dbraw/zinc/44/13/43/654441343.db2.gz DHFSYVPYMCXDCJ-GHXNOFRVSA-N 1 0 377.304 1.653 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000667158412 654444097 /nfs/dbraw/zinc/44/40/97/654444097.db2.gz YCTQDGGNKMPPOX-UHFFFAOYSA-N 1 0 381.424 1.732 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CCO1 ZINC000667403144 654448491 /nfs/dbraw/zinc/44/84/91/654448491.db2.gz SLYATOIDTHGTTI-SKDRFNHKSA-N 1 0 397.273 1.235 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000667475702 654451809 /nfs/dbraw/zinc/45/18/09/654451809.db2.gz DRHYRJLSHMYPPE-OAHLLOKOSA-N 1 0 388.212 1.878 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667507336 654453159 /nfs/dbraw/zinc/45/31/59/654453159.db2.gz NPSAZHRDDWAVEP-VIFPVBQESA-N 1 0 376.201 1.924 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(Cc2c(F)cncc2Br)CC1 ZINC000667592920 654457527 /nfs/dbraw/zinc/45/75/27/654457527.db2.gz KKBYMPFJAFQYCJ-UHFFFAOYSA-N 1 0 387.297 1.969 20 0 GDADRO Cn1c(Cl)ncc1S(=O)(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000769407075 654461212 /nfs/dbraw/zinc/46/12/12/654461212.db2.gz YDNCOECELOGVDA-UHFFFAOYSA-N 1 0 386.905 1.535 20 0 GDADRO CCC[C@@H](C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C)S(N)(=O)=O ZINC000667736118 654461826 /nfs/dbraw/zinc/46/18/26/654461826.db2.gz QSIGHCWRIXQEDM-INIZCTEOSA-N 1 0 385.555 1.940 20 0 GDADRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000769706729 654478752 /nfs/dbraw/zinc/47/87/52/654478752.db2.gz DKQZRVBKEPLTCU-UHFFFAOYSA-N 1 0 391.896 1.978 20 0 GDADRO Cc1cc(Br)cn2c(CN(CC[NH+](C)C)CC(=O)N(C)C)cnc12 ZINC000668558515 654484983 /nfs/dbraw/zinc/48/49/83/654484983.db2.gz LVARBJAQLQLYIC-UHFFFAOYSA-N 1 0 396.333 1.857 20 0 GDADRO COc1ccc(CCC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000668581793 654486186 /nfs/dbraw/zinc/48/61/86/654486186.db2.gz LKXCOUGROLVFDT-CQSZACIVSA-N 1 0 384.318 1.752 20 0 GDADRO CN(C(=S)NCCNS(C)(=O)=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000733211042 654502318 /nfs/dbraw/zinc/50/23/18/654502318.db2.gz KSLVUPMFVXXUKU-UHFFFAOYSA-N 1 0 384.571 1.007 20 0 GDADRO O=C(NCCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccc(Br)cc1 ZINC000669401978 654503930 /nfs/dbraw/zinc/50/39/30/654503930.db2.gz JYEDZUZNFWKFJN-IUODEOHRSA-N 1 0 395.301 1.572 20 0 GDADRO O=C(NCCNC(=O)c1cccc(Br)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000669437104 654504966 /nfs/dbraw/zinc/50/49/66/654504966.db2.gz RUDSJQVGXKPDFI-CQSZACIVSA-N 1 0 383.290 1.620 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000669541289 654505222 /nfs/dbraw/zinc/50/52/22/654505222.db2.gz GWMBCBMCCHCAKN-NSHDSACASA-N 1 0 394.950 1.463 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)nc12 ZINC000669559286 654505503 /nfs/dbraw/zinc/50/55/03/654505503.db2.gz DKKSQZAZCKDILE-SMDDNHRTSA-N 1 0 396.289 1.663 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000669565708 654505904 /nfs/dbraw/zinc/50/59/04/654505904.db2.gz ZSTLYASYUGMMOC-OAHLLOKOSA-N 1 0 397.317 1.647 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670851560 654527144 /nfs/dbraw/zinc/52/71/44/654527144.db2.gz XVNBNLNKJVBXBV-ZIAGYGMSSA-N 1 0 380.286 1.808 20 0 GDADRO C[NH+](C)CCOCCNC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000771094712 654530328 /nfs/dbraw/zinc/53/03/28/654530328.db2.gz SKRLCZVPIHKZLM-UHFFFAOYSA-N 1 0 388.262 1.920 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671102213 654531364 /nfs/dbraw/zinc/53/13/64/654531364.db2.gz WZCGMFHPJIZZLE-VXGBXAGGSA-N 1 0 384.274 1.744 20 0 GDADRO C[NH+](C)CC[C@H](NC(=S)NCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C ZINC000734764778 654539840 /nfs/dbraw/zinc/53/98/40/654539840.db2.gz CSQSGCVMKWETSG-HNNXBMFYSA-N 1 0 386.587 1.665 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672309405 654555666 /nfs/dbraw/zinc/55/56/66/654555666.db2.gz MUSASXLYTWTIMU-GFCCVEGCSA-N 1 0 384.274 1.601 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000672660349 654561758 /nfs/dbraw/zinc/56/17/58/654561758.db2.gz RZCDUPBMNJJHQM-HNNXBMFYSA-N 1 0 394.313 1.807 20 0 GDADRO O=C(CCOc1ccccc1Br)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000673446712 654574702 /nfs/dbraw/zinc/57/47/02/654574702.db2.gz NSERRKGKGIXDDU-AWEZNQCLSA-N 1 0 382.302 1.724 20 0 GDADRO O=C(COc1ccc(Br)cc1F)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673529626 654576756 /nfs/dbraw/zinc/57/67/56/654576756.db2.gz ACIBIRYTWZTFKR-GFCCVEGCSA-N 1 0 375.238 1.540 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)OC)cc1 ZINC000773054732 654579113 /nfs/dbraw/zinc/57/91/13/654579113.db2.gz XEFXONNKDRGNFC-DOMZBBRYSA-N 1 0 389.543 1.387 20 0 GDADRO CN1CCN(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CC1 ZINC000673650265 654580267 /nfs/dbraw/zinc/58/02/67/654580267.db2.gz KJOQPELRYOBQNV-UHFFFAOYSA-N 1 0 397.361 1.587 20 0 GDADRO C[NH+](C)CCNC(=S)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000773204308 654586515 /nfs/dbraw/zinc/58/65/15/654586515.db2.gz IKEUGZPARZMMNR-ZDUSSCGKSA-N 1 0 385.331 1.580 20 0 GDADRO CC[N@H+](CCC1CCN(S(=O)(=O)CCS(C)(=O)=O)CC1)CC(C)C ZINC000773377666 654591550 /nfs/dbraw/zinc/59/15/50/654591550.db2.gz BCPXKGGFNJRXDJ-UHFFFAOYSA-N 1 0 382.592 1.441 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)CC1 ZINC000774079197 654610044 /nfs/dbraw/zinc/61/00/44/654610044.db2.gz NNYXJYNKGBUKCM-RUZDIDTESA-N 1 0 377.388 1.463 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCN(C)S(=O)(=O)c2cccs2)C1 ZINC000676472665 654643819 /nfs/dbraw/zinc/64/38/19/654643819.db2.gz HYWIUCOJQCVLLP-CQSZACIVSA-N 1 0 388.559 1.541 20 0 GDADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000676487750 654644462 /nfs/dbraw/zinc/64/44/62/654644462.db2.gz ULJLNGXJFYMKQK-CYBMUJFWSA-N 1 0 379.404 1.701 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000676705786 654648800 /nfs/dbraw/zinc/64/88/00/654648800.db2.gz XAAOBZPYKSVHBE-RYUDHWBXSA-N 1 0 397.324 1.747 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2cccnc2Cl)CC1 ZINC000738354303 654656361 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KKHAQZGVFXCNBX-KBPBESRZSA-N 1 0 376.519 1.568 20 0 GDADRO Cc1sc(Br)cc1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000725035373 654841181 /nfs/dbraw/zinc/84/11/81/654841181.db2.gz ZYLLJHIYLUBMQU-UHFFFAOYSA-N 1 0 383.333 1.947 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000725830219 654843444 /nfs/dbraw/zinc/84/34/44/654843444.db2.gz BCPJBNYUVBAAHU-UHFFFAOYSA-N 1 0 391.921 1.770 20 0 GDADRO OCCCC[NH+]1CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000750055828 654847392 /nfs/dbraw/zinc/84/73/92/654847392.db2.gz QRTLOLQPTIBTHQ-UHFFFAOYSA-N 1 0 395.305 1.315 20 0 GDADRO CC(C)[C@@H](CNC(=S)NCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC000726455541 654852970 /nfs/dbraw/zinc/85/29/70/654852970.db2.gz OFGCSZDQRPTFPN-MRXNPFEDSA-N 1 0 384.571 1.419 20 0 GDADRO C[C@@H](NC(=S)NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccs1 ZINC000726466034 654853762 /nfs/dbraw/zinc/85/37/62/654853762.db2.gz QMYPBQMETJTMMG-CVEARBPZSA-N 1 0 382.599 1.927 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CC1 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655481623 /nfs/dbraw/zinc/48/16/23/655481623.db2.gz VKJNAJZLISERDE-VIFPVBQESA-N 1 0 377.297 1.875 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3nc(Cl)sc3Cl)CC2)C1=O ZINC000848071558 655481678 /nfs/dbraw/zinc/48/16/78/655481678.db2.gz VKJNAJZLISERDE-SECBINFHSA-N 1 0 377.297 1.875 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000848238986 655485204 /nfs/dbraw/zinc/48/52/04/655485204.db2.gz YCRPYNOPUNTSMN-SECBINFHSA-N 1 0 389.681 1.690 20 0 GDADRO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000825207709 655485796 /nfs/dbraw/zinc/48/57/96/655485796.db2.gz LUHHXJBUOCNCPT-GFCCVEGCSA-N 1 0 385.383 1.522 20 0 GDADRO O=C(c1cc2c(ccc(F)c2Br)[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307547 655487080 /nfs/dbraw/zinc/48/70/80/655487080.db2.gz VRJOEZWYWQZEQQ-VHSXEESVSA-N 1 0 382.233 1.961 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(Br)n[nH]2)c1 ZINC000825633745 655492031 /nfs/dbraw/zinc/49/20/31/655492031.db2.gz DBEPLGLJYQTYQC-UHFFFAOYSA-N 1 0 394.273 1.394 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)[N@H+](C)C1CC1 ZINC000825748615 655493290 /nfs/dbraw/zinc/49/32/90/655493290.db2.gz HESVKWDUOXIQBC-VIFPVBQESA-N 1 0 390.303 1.309 20 0 GDADRO C[C@@H]([NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000825796082 655493706 /nfs/dbraw/zinc/49/37/06/655493706.db2.gz UZFRRNCECQCQSY-LLVKDONJSA-N 1 0 379.404 1.276 20 0 GDADRO C[C@H]([NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000825796083 655493763 /nfs/dbraw/zinc/49/37/63/655493763.db2.gz UZFRRNCECQCQSY-NSHDSACASA-N 1 0 379.404 1.276 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000848546611 655496453 /nfs/dbraw/zinc/49/64/53/655496453.db2.gz DDWMYXZDWYCGIH-KBPBESRZSA-N 1 0 378.539 1.244 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=S)NCC1CC[NH+](C)CC1 ZINC000848653930 655498332 /nfs/dbraw/zinc/49/83/32/655498332.db2.gz OXQAATFMVOPGGA-DGCLKSJQSA-N 1 0 380.480 1.734 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc2c(Br)cnn2c1 ZINC000827093298 655505591 /nfs/dbraw/zinc/50/55/91/655505591.db2.gz RGCHVWNUGSEITP-AWEZNQCLSA-N 1 0 394.273 1.166 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CC[C@H]21 ZINC000827367386 655509924 /nfs/dbraw/zinc/50/99/24/655509924.db2.gz VBNJJGYPRQOSLJ-CZUORRHYSA-N 1 0 385.917 1.561 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)COc3ccc(Br)cn3)CC2)CC1 ZINC000827425326 655510962 /nfs/dbraw/zinc/51/09/62/655510962.db2.gz LPJRZOSSZBJPCN-UHFFFAOYSA-N 1 0 397.317 1.461 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000827500394 655512402 /nfs/dbraw/zinc/51/24/02/655512402.db2.gz ABVPAPTVXUXSLI-GFCCVEGCSA-N 1 0 397.155 1.636 20 0 GDADRO CC[C@@H](C)NC(=[NH2+])NC[C@@H](O)COc1ccc(I)cc1 ZINC000849027838 655517077 /nfs/dbraw/zinc/51/70/77/655517077.db2.gz VYQHPLLOJBDWCP-ZYHUDNBSSA-N 1 0 391.253 1.943 20 0 GDADRO COc1ccc(OC)c(NC(=[NH2+])NCCS(=O)(=O)N2CCSCC2)c1 ZINC000849099078 655517298 /nfs/dbraw/zinc/51/72/98/655517298.db2.gz HDRSGFSANBBEDT-UHFFFAOYSA-N 1 0 388.515 1.019 20 0 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O=C(NC[C@@H]1CSCCS1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850808607 655568542 /nfs/dbraw/zinc/56/85/42/655568542.db2.gz IOZOWTXHAYSQCI-CABCVRRESA-N 1 0 381.523 1.251 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC[C@H]1F ZINC000850862129 655570469 /nfs/dbraw/zinc/57/04/69/655570469.db2.gz QUCMIZIQANXUOD-RKDXNWHRSA-N 1 0 379.617 1.334 20 0 GDADRO Cc1cc([C@@H]([NH3+])CC(=O)NCCS(=O)(=O)CC(F)(F)F)cc(Cl)n1 ZINC000851643364 655589565 /nfs/dbraw/zinc/58/95/65/655589565.db2.gz VIOCXQVLXVZBNE-JTQLQIEISA-N 1 0 387.811 1.527 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000851665814 655590243 /nfs/dbraw/zinc/59/02/43/655590243.db2.gz DLCSJOQDRSUHMB-CYBMUJFWSA-N 1 0 379.404 1.150 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000851672676 655590331 /nfs/dbraw/zinc/59/03/31/655590331.db2.gz PVNWTOFNHUCSLR-STQMWFEESA-N 1 0 385.452 1.385 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCCC2SCCS2)C2CC3CC(C2)CC1C3 ZINC000851688460 655590600 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C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000852853764 655624146 /nfs/dbraw/zinc/62/41/46/655624146.db2.gz QSRATEZDFSWMQV-GZMMTYOYSA-N 1 0 394.229 1.780 20 0 GDADRO C[C@]12CCN(C(=O)[C@H]3C[NH2+]CCO3)C[C@H]1C2(Br)Br ZINC000852901557 655626111 /nfs/dbraw/zinc/62/61/11/655626111.db2.gz KJDIIFBUIHWKOQ-KKZNHRDASA-N 1 0 382.096 1.329 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)C1(c2ccccc2)CC[NH2+]CC1 ZINC000852905311 655626874 /nfs/dbraw/zinc/62/68/74/655626874.db2.gz RLOUEOHVLPYRNK-UHFFFAOYSA-N 1 0 378.416 1.401 20 0 GDADRO COC(=O)[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000852907051 655627419 /nfs/dbraw/zinc/62/74/19/655627419.db2.gz BXPYSUYMCAITBB-XHDPSFHLSA-N 1 0 385.258 1.548 20 0 GDADRO COC(=O)N(C)CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000853118732 655632854 /nfs/dbraw/zinc/63/28/54/655632854.db2.gz OLHBTZJEJBWGLM-GFCCVEGCSA-N 1 0 379.226 1.616 20 0 GDADRO CCC(=O)c1ccc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(S(=O)(=O)NC)c1 ZINC000853460789 655640093 /nfs/dbraw/zinc/64/00/93/655640093.db2.gz KCSOCTBKHNIVOU-ZBFHGGJFSA-N 1 0 385.555 1.669 20 0 GDADRO CN(C)S(=O)(=O)Cc1noc(-c2sc3c(c2Br)C[NH2+]C3)n1 ZINC000854138179 655657445 /nfs/dbraw/zinc/65/74/45/655657445.db2.gz FCQOFYXQPROSLA-UHFFFAOYSA-N 1 0 393.288 1.555 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)sc1S(N)(=O)=O ZINC000854498352 655668412 /nfs/dbraw/zinc/66/84/12/655668412.db2.gz PMQBVBCTCHQMER-UHFFFAOYSA-N 1 0 391.946 1.915 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1(Br)Br ZINC000854689278 655674080 /nfs/dbraw/zinc/67/40/80/655674080.db2.gz BZCFWEFCNMMYMM-JQWIXIFHSA-N 1 0 398.139 1.846 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(S(C)(=O)=O)ncc1Cl)CCO2 ZINC000855010317 655683944 /nfs/dbraw/zinc/68/39/44/655683944.db2.gz QWEWZAZBDBEEQH-UHFFFAOYSA-N 1 0 387.889 1.075 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c(Br)nc2n1CCC2 ZINC000855346295 655692507 /nfs/dbraw/zinc/69/25/07/655692507.db2.gz VMRQPFPEXBZLGE-LBPRGKRZSA-N 1 0 386.338 1.594 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(C(F)(F)F)cnc1Cl ZINC000855695914 655699579 /nfs/dbraw/zinc/69/95/79/655699579.db2.gz WSQAGEFKOFDYDL-UHFFFAOYSA-N 1 0 380.798 1.846 20 0 GDADRO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000856788620 655719121 /nfs/dbraw/zinc/71/91/21/655719121.db2.gz OCANSADMNMNIJR-QGZVFWFLSA-N 1 0 380.491 1.136 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccnc2I)C1 ZINC000857193190 655730363 /nfs/dbraw/zinc/73/03/63/655730363.db2.gz OALJHJOZOFFGPG-AWEZNQCLSA-N 1 0 389.237 1.215 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1Cl ZINC000857235677 655731713 /nfs/dbraw/zinc/73/17/13/655731713.db2.gz BWKGGKVLOXTLLO-QMTHXVAHSA-N 1 0 378.903 1.245 20 0 GDADRO Cn1cc(CNCc2ccnc(N3CC[NH+](C)CC3)c2)c(Br)n1 ZINC000858099861 655744467 /nfs/dbraw/zinc/74/44/67/655744467.db2.gz ZUXHMCZANKUGGC-UHFFFAOYSA-N 1 0 379.306 1.619 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1)C(F)(F)F ZINC000858607660 655749976 /nfs/dbraw/zinc/74/99/76/655749976.db2.gz GYEANGPFNSQSKP-GFCCVEGCSA-N 1 0 377.388 1.702 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Cl ZINC000858614268 655750326 /nfs/dbraw/zinc/75/03/26/655750326.db2.gz HXJYQAPHKWOIBT-JTQLQIEISA-N 1 0 377.850 1.257 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c(Cl)s1 ZINC000858620654 655750839 /nfs/dbraw/zinc/75/08/39/655750839.db2.gz YJLXTQSHSPZJGR-SECBINFHSA-N 1 0 384.932 1.368 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)NCC2([NH3+])CCOCC2)ccc1Br ZINC000858623575 655751035 /nfs/dbraw/zinc/75/10/35/655751035.db2.gz WIYFITFTSAJSQB-UHFFFAOYSA-N 1 0 391.287 1.438 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)NCC2([NH3+])CCOCC2)c(C)c1Cl ZINC000858623718 655751041 /nfs/dbraw/zinc/75/10/41/655751041.db2.gz XVBVHAPLUMXDKX-UHFFFAOYSA-N 1 0 382.891 1.283 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C2 ZINC000858636333 655751695 /nfs/dbraw/zinc/75/16/95/655751695.db2.gz LHRBIZWBUAWVTL-GASCZTMLSA-N 1 0 394.465 1.303 20 0 GDADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)nc1F ZINC000858902804 655755219 /nfs/dbraw/zinc/75/52/19/655755219.db2.gz FKVVYDJBIHGOPR-ZJUUUORDSA-N 1 0 378.267 1.888 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859020344 655759696 /nfs/dbraw/zinc/75/96/96/655759696.db2.gz KAAQNOKFDAMWKR-UHFFFAOYSA-N 1 0 393.893 1.765 20 0 GDADRO Cn1nc(Cl)c(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1Cl ZINC000859363674 655778591 /nfs/dbraw/zinc/77/85/91/655778591.db2.gz RRTRIBVGLQOZPQ-UHFFFAOYSA-N 1 0 376.288 1.257 20 0 GDADRO CN(C)S(=O)(=O)CC[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860035289 655793606 /nfs/dbraw/zinc/79/36/06/655793606.db2.gz MASQDVSAGTWZDZ-CALCHBBNSA-N 1 0 375.535 1.457 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@H]2C[C@@]2(C)Br)C1 ZINC000860117640 655795580 /nfs/dbraw/zinc/79/55/80/655795580.db2.gz WTGIHXYYKXQJJD-XJKCOSOUSA-N 1 0 391.306 1.176 20 0 GDADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000861349720 655819818 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O=C(NC[C@H]1COCC[NH2+]1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000861681774 655828205 /nfs/dbraw/zinc/82/82/05/655828205.db2.gz LZIZKSPRWWBDEN-SWLSCSKDSA-N 1 0 384.274 1.520 20 0 GDADRO COC(=O)c1ccc(CNC(=O)NCCOCCC[NH3+])c(Br)c1 ZINC000861692936 655828513 /nfs/dbraw/zinc/82/85/13/655828513.db2.gz MUYJKRJSZPKVIC-UHFFFAOYSA-N 1 0 388.262 1.400 20 0 GDADRO CC(C)(C)n1ncc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1Br ZINC000861719830 655829171 /nfs/dbraw/zinc/82/91/71/655829171.db2.gz PEFJMOBJRJRWIP-VXGBXAGGSA-N 1 0 385.306 1.682 20 0 GDADRO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861719871 655829177 /nfs/dbraw/zinc/82/91/77/655829177.db2.gz QCFACXYJOHNWOR-NWDGAFQWSA-N 1 0 383.290 1.263 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000861733664 655829498 /nfs/dbraw/zinc/82/94/98/655829498.db2.gz ZWHPYTVQLOLNOT-YPMHNXCESA-N 1 0 387.311 1.884 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCC2SCCS2)CC[C@@H]1C(F)(F)F ZINC000861786395 655830660 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1.815 20 0 GDADRO CC[NH+]1CCN(CC(=O)NN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000862644806 655849960 /nfs/dbraw/zinc/84/99/60/655849960.db2.gz XUUBCQLKUNQNBZ-UHFFFAOYSA-N 1 0 381.274 1.074 20 0 GDADRO O=C(/C=C/c1ccc(I)o1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863329871 655866276 /nfs/dbraw/zinc/86/62/76/655866276.db2.gz VCKUXKNFHIGTAG-XCRNYIDWSA-N 1 0 376.194 1.080 20 0 GDADRO COc1cc([C@@H](C)NCC2([NH3+])CCOCC2)ccc1S(=O)(=O)C(F)F ZINC000863542195 655875194 /nfs/dbraw/zinc/87/51/94/655875194.db2.gz TUOXIOCZNPEKLK-LLVKDONJSA-N 1 0 378.441 1.850 20 0 GDADRO CC[C@@H]1[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CCN1C(=O)OC(C)(C)C ZINC000863577291 655875874 /nfs/dbraw/zinc/87/58/74/655875874.db2.gz WPTQRFGUWHSQHB-UONOGXRCSA-N 1 0 376.519 1.304 20 0 GDADRO CON(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000863586469 655876696 /nfs/dbraw/zinc/87/66/96/655876696.db2.gz AZFGATGXFICNSY-JOYOIKCWSA-N 1 0 379.226 1.326 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000863764008 655880386 /nfs/dbraw/zinc/88/03/86/655880386.db2.gz OERRUWROGBJHKZ-UWVGGRQHSA-N 1 0 378.420 1.674 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000864081388 655889770 /nfs/dbraw/zinc/88/97/70/655889770.db2.gz HCUPEBNSPKJGLK-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC000864088871 655890093 /nfs/dbraw/zinc/89/00/93/655890093.db2.gz KBPRASADXVKOBX-GGZOMVNGSA-N 1 0 388.253 1.531 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cc(Br)ncc1Br ZINC000865123316 655912611 /nfs/dbraw/zinc/91/26/11/655912611.db2.gz IPMCZOCJLMKISM-UHFFFAOYSA-N 1 0 395.095 1.915 20 0 GDADRO C[NH+]1CCC(NC(=O)CSc2nnc3ccc(Br)cn32)CC1 ZINC000865368052 655918250 /nfs/dbraw/zinc/91/82/50/655918250.db2.gz LGHWUKRMSSFIFZ-UHFFFAOYSA-N 1 0 384.303 1.794 20 0 GDADRO CC(=O)NCC1CCC([NH2+]Cc2nn(C)cc2I)CC1 ZINC000865591867 655922542 /nfs/dbraw/zinc/92/25/42/655922542.db2.gz NPGGCLQJSBFQQG-UHFFFAOYSA-N 1 0 390.269 1.809 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000865624584 655923093 /nfs/dbraw/zinc/92/30/93/655923093.db2.gz MLUQGCMNYOXXBP-GMTAPVOTSA-N 1 0 390.424 1.234 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(I)nn1C ZINC000865701271 655924446 /nfs/dbraw/zinc/92/44/46/655924446.db2.gz JJBWKNBUUQFGAZ-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000865706705 655924687 /nfs/dbraw/zinc/92/46/87/655924687.db2.gz ZZIWGMZVZCECIL-QLFBSQMISA-N 1 0 375.535 1.551 20 0 GDADRO COC(=O)Cn1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)nn1 ZINC000865715312 655924836 /nfs/dbraw/zinc/92/48/36/655924836.db2.gz OIDOPITTYFVPKK-INIZCTEOSA-N 1 0 397.273 1.297 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](O)[C@H](C)O)CC1 ZINC000865739184 655925513 /nfs/dbraw/zinc/92/55/13/655925513.db2.gz TUZWVARSPPWPHF-BLLLJJGKSA-N 1 0 385.302 1.693 20 0 GDADRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000865739123 655925576 /nfs/dbraw/zinc/92/55/76/655925576.db2.gz SBBRKFDKGAMLSP-WBMJQRKESA-N 1 0 393.311 1.536 20 0 GDADRO COc1sc(C[NH2+]C[C@]23COC(=O)N2CCOC3)cc1Br ZINC000865770044 655926181 /nfs/dbraw/zinc/92/61/81/655926181.db2.gz NMRQZVHWAWXIEP-ZDUSSCGKSA-N 1 0 377.260 1.830 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]Cc3cn4ccc(Br)cc4n3)COCCN12 ZINC000865770531 655926230 /nfs/dbraw/zinc/92/62/30/655926230.db2.gz NBKODBPRFLTGCD-OAHLLOKOSA-N 1 0 381.230 1.408 20 0 GDADRO COc1sc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1Br ZINC000865770043 655926238 /nfs/dbraw/zinc/92/62/38/655926238.db2.gz NMRQZVHWAWXIEP-CYBMUJFWSA-N 1 0 377.260 1.830 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cnn(C(C)C)c2Br)CC1 ZINC000865792333 655926849 /nfs/dbraw/zinc/92/68/49/655926849.db2.gz UKOMNYIQFAWELW-ZDUSSCGKSA-N 1 0 386.338 1.982 20 0 GDADRO COc1ccc(Br)cc1C[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000865801085 655927207 /nfs/dbraw/zinc/92/72/07/655927207.db2.gz QGEVILUUOLWLMR-INIZCTEOSA-N 1 0 385.258 1.175 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)s1 ZINC000865813980 655927563 /nfs/dbraw/zinc/92/75/63/655927563.db2.gz DGPXGUFRHUDCFW-UHFFFAOYSA-N 1 0 379.507 1.967 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000865960435 655931276 /nfs/dbraw/zinc/93/12/76/655931276.db2.gz WHNWJDFAHWUGPV-ZDUSSCGKSA-N 1 0 398.301 1.228 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000866010320 655932825 /nfs/dbraw/zinc/93/28/25/655932825.db2.gz WESQTTQSJZAGDV-LLVKDONJSA-N 1 0 388.253 1.583 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)c2cc(I)nn2C)CC1 ZINC000866089271 655934339 /nfs/dbraw/zinc/93/43/39/655934339.db2.gz JGACFPKDWZEISJ-UHFFFAOYSA-N 1 0 390.269 1.877 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000866102369 655934449 /nfs/dbraw/zinc/93/44/49/655934449.db2.gz FFQTVSGIZFOKDS-CQSZACIVSA-N 1 0 382.302 1.945 20 0 GDADRO Cn1ncc(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)c1Br ZINC000866476711 655945762 /nfs/dbraw/zinc/94/57/62/655945762.db2.gz YQTNEHARAHONHU-UHFFFAOYSA-N 1 0 387.303 1.723 20 0 GDADRO C[C@@]1(CS(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1(Cl)Cl ZINC000866738479 655957689 /nfs/dbraw/zinc/95/76/89/655957689.db2.gz ZWIUCAORVOWLKD-OCCSQVGLSA-N 1 0 398.356 1.044 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000866748354 655958728 /nfs/dbraw/zinc/95/87/28/655958728.db2.gz OAKKZXYUFYIYEA-MRXNPFEDSA-N 1 0 375.441 1.267 20 0 GDADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000866762155 655960005 /nfs/dbraw/zinc/96/00/05/655960005.db2.gz JQUPGGYOQJVOOA-LLVKDONJSA-N 1 0 379.404 1.937 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1Br ZINC000866768310 655960850 /nfs/dbraw/zinc/96/08/50/655960850.db2.gz ATXSNSXHTBWVFQ-QWRGUYRKSA-N 1 0 377.308 1.193 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1Br ZINC000866769448 655960955 /nfs/dbraw/zinc/96/09/55/655960955.db2.gz KWNKUCSFZNRSRS-QWRGUYRKSA-N 1 0 377.308 1.335 20 0 GDADRO C[C@@H]1CC2(CN1S(=O)(=O)c1cnn(C)c1Br)CC[NH2+]CC2 ZINC000866774356 655961822 /nfs/dbraw/zinc/96/18/22/655961822.db2.gz OXQDADNHYGUYOS-SNVBAGLBSA-N 1 0 377.308 1.335 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)nc2F)C1 ZINC000866775451 655962019 /nfs/dbraw/zinc/96/20/19/655962019.db2.gz DWQAEWLVQCGPIX-WOPDTQHZSA-N 1 0 377.869 1.924 20 0 GDADRO O=S(=O)(N=S1(=O)CCCC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000866776025 655962048 /nfs/dbraw/zinc/96/20/48/655962048.db2.gz CFOMCLICSGMHPL-GJZGRUSLSA-N 1 0 375.491 1.367 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000866777020 655962274 /nfs/dbraw/zinc/96/22/74/655962274.db2.gz NSIGEZVJHPLLDC-XYWAVCLCSA-N 1 0 393.506 1.232 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C(C)(C)C)n1 ZINC000866778835 655962550 /nfs/dbraw/zinc/96/25/50/655962550.db2.gz CPVYMDGIGOQRFZ-GHMZBOCLSA-N 1 0 382.452 1.865 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000866779052 655962645 /nfs/dbraw/zinc/96/26/45/655962645.db2.gz MMEBNNGNLKZHKM-UHFFFAOYSA-N 1 0 375.288 1.629 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2)C(F)(F)F ZINC000866780151 655962752 /nfs/dbraw/zinc/96/27/52/655962752.db2.gz ZIFQNPZEQXYDAF-GFCCVEGCSA-N 1 0 377.388 1.750 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)cc1Cl ZINC000866792104 655964195 /nfs/dbraw/zinc/96/41/95/655964195.db2.gz TYMWUCCWHHFZRH-DTORHVGOSA-N 1 0 379.265 1.905 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000866807301 655965946 /nfs/dbraw/zinc/96/59/46/655965946.db2.gz XWOKVHYXYDCTNB-WVSHTKLVSA-N 1 0 391.287 1.641 20 0 GDADRO Cc1cc(S(=O)(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1Cl ZINC000866815306 655966515 /nfs/dbraw/zinc/96/65/15/655966515.db2.gz ADAQLSSNIKRLNZ-DFBGVHRSSA-N 1 0 385.873 1.204 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000866819131 655966805 /nfs/dbraw/zinc/96/68/05/655966805.db2.gz CGHWMZLUUTXATQ-HIFRSBDPSA-N 1 0 385.917 1.804 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)s1 ZINC000866819206 655966825 /nfs/dbraw/zinc/96/68/25/655966825.db2.gz DHEKQUPRIRYWFY-TZMCWYRMSA-N 1 0 387.527 1.409 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(Br)c1 ZINC000866822773 655967099 /nfs/dbraw/zinc/96/70/99/655967099.db2.gz CRTOOPDSSJQBNN-CHWSQXEVSA-N 1 0 375.288 1.973 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1OC ZINC000866822994 655967233 /nfs/dbraw/zinc/96/72/33/655967233.db2.gz FFMIBDMHIDJISC-OLZOCXBDSA-N 1 0 388.873 1.650 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1Br ZINC000866855030 655970678 /nfs/dbraw/zinc/97/06/78/655970678.db2.gz VKRSOAMSLIXLQR-LLVKDONJSA-N 1 0 377.308 1.289 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C(F)(F)F ZINC000866905271 655975727 /nfs/dbraw/zinc/97/57/27/655975727.db2.gz XTGFRDYHKGAYKQ-LBPRGKRZSA-N 1 0 380.436 1.791 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866959546 655981951 /nfs/dbraw/zinc/98/19/51/655981951.db2.gz CLPOXJOMEMWVEA-UHFFFAOYSA-N 1 0 382.313 1.902 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(C(=O)Cn3ccc(Br)cc3=O)C2)CC1 ZINC000866976979 655983770 /nfs/dbraw/zinc/98/37/70/655983770.db2.gz KFIIAQUZQOKROG-AWEZNQCLSA-N 1 0 382.302 1.801 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cn3ccc(Br)cc3=O)C2)CC1 ZINC000866976980 655983794 /nfs/dbraw/zinc/98/37/94/655983794.db2.gz KFIIAQUZQOKROG-CQSZACIVSA-N 1 0 382.302 1.801 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1Br ZINC000866985626 655984364 /nfs/dbraw/zinc/98/43/64/655984364.db2.gz JNCAUFQWWURWQN-WDEREUQCSA-N 1 0 377.308 1.287 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CC2(F)F)C[C@H]1[NH+](C)C ZINC000867019964 655987956 /nfs/dbraw/zinc/98/79/56/655987956.db2.gz CRIFVHHIIGYCOS-HFAKWTLXSA-N 1 0 379.473 1.793 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000867212070 656014616 /nfs/dbraw/zinc/01/46/16/656014616.db2.gz BADPFGVUGGRTJE-CALCHBBNSA-N 1 0 385.555 1.803 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cnn(C)c1Br ZINC000867262573 656025395 /nfs/dbraw/zinc/02/53/95/656025395.db2.gz YDFQNCXQPMCGLN-QWRGUYRKSA-N 1 0 377.308 1.430 20 0 GDADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cn(C)nc1Br ZINC000867269170 656027354 /nfs/dbraw/zinc/02/73/54/656027354.db2.gz GOOWTDXCABEWGY-QWRGUYRKSA-N 1 0 377.308 1.430 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000867371829 656047727 /nfs/dbraw/zinc/04/77/27/656047727.db2.gz LWWYNLPGDBHUTM-AWEZNQCLSA-N 1 0 386.389 1.906 20 0 GDADRO COc1cc(I)ccc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000867420288 656057272 /nfs/dbraw/zinc/05/72/72/656057272.db2.gz SPCWSYXPRIEORS-AWEZNQCLSA-N 1 0 390.221 1.096 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)cn2ccnc12 ZINC000867478943 656067745 /nfs/dbraw/zinc/06/77/45/656067745.db2.gz CSMRAURBIHVDPO-ZDUSSCGKSA-N 1 0 394.317 1.853 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000867508764 656073209 /nfs/dbraw/zinc/07/32/09/656073209.db2.gz CWWQOJLIDRRENA-CABCVRRESA-N 1 0 381.567 1.850 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000867513151 656074097 /nfs/dbraw/zinc/07/40/97/656074097.db2.gz YHDXBXRRAKSOJG-ZDUSSCGKSA-N 1 0 395.301 1.405 20 0 GDADRO Cn1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(Br)n1 ZINC000867539342 656080710 /nfs/dbraw/zinc/08/07/10/656080710.db2.gz DCJUQLHWUAPHJG-LBPRGKRZSA-N 1 0 391.335 1.583 20 0 GDADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)CC2)CC1 ZINC000867619063 656094590 /nfs/dbraw/zinc/09/45/90/656094590.db2.gz NVNMSQBACGCHOE-UHFFFAOYSA-N 1 0 380.436 1.942 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000867620148 656094738 /nfs/dbraw/zinc/09/47/38/656094738.db2.gz LWDWELPFILGZFS-UHFFFAOYSA-N 1 0 380.436 1.935 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000867743377 656107637 /nfs/dbraw/zinc/10/76/37/656107637.db2.gz BPJUSGIYLJQIQS-UHFFFAOYSA-N 1 0 375.535 1.790 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)nc3F)CC2)CC1 ZINC000867816666 656121058 /nfs/dbraw/zinc/12/10/58/656121058.db2.gz GCOMQAOVTYCBSX-UHFFFAOYSA-N 1 0 376.885 1.275 20 0 GDADRO COc1cc(I)ccc1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000867980296 656136774 /nfs/dbraw/zinc/13/67/74/656136774.db2.gz USELOBGMDYVBEK-SNVBAGLBSA-N 1 0 376.194 1.018 20 0 GDADRO CC(=O)N[C@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000867983214 656137039 /nfs/dbraw/zinc/13/70/39/656137039.db2.gz MUCFATOBHORKHU-MNOVXSKESA-N 1 0 382.180 1.632 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)C1CC[NH2+]CC1 ZINC000868010325 656137517 /nfs/dbraw/zinc/13/75/17/656137517.db2.gz PQJBOMYDMCWOEZ-JTQLQIEISA-N 1 0 389.315 1.971 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)NCc2ncc(Br)s2)CC1 ZINC000868049590 656138463 /nfs/dbraw/zinc/13/84/63/656138463.db2.gz ZNPNQHMGYXHBKJ-UHFFFAOYSA-N 1 0 390.351 1.732 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000868051065 656138588 /nfs/dbraw/zinc/13/85/88/656138588.db2.gz AGBHKKALGFHJHX-LLVKDONJSA-N 1 0 376.242 1.419 20 0 GDADRO C[C@@]1([NH3+])CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1 ZINC000868073139 656139600 /nfs/dbraw/zinc/13/96/00/656139600.db2.gz KNVJSIITKCATES-CQSZACIVSA-N 1 0 390.303 1.067 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000868097635 656140905 /nfs/dbraw/zinc/14/09/05/656140905.db2.gz GFFBAYOVNWKEKQ-CQSZACIVSA-N 1 0 398.301 1.182 20 0 GDADRO O=C(Nc1nc2ccsc2s1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868126102 656141411 /nfs/dbraw/zinc/14/14/11/656141411.db2.gz PGCCFLTZOMPMOO-GDPRMGEGSA-N 1 0 379.467 1.757 20 0 GDADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1OC)[C@@H]1CC[NH2+]C1 ZINC000868245745 656146058 /nfs/dbraw/zinc/14/60/58/656146058.db2.gz HYBJNBFEICCBLO-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(I)nn1C ZINC000868409149 656154717 /nfs/dbraw/zinc/15/47/17/656154717.db2.gz NAYRRDIYPLZLCQ-JTQLQIEISA-N 1 0 378.258 1.875 20 0 GDADRO CSC1(CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000868441332 656156232 /nfs/dbraw/zinc/15/62/32/656156232.db2.gz VBAIXUWVAOINRD-ZDUSSCGKSA-N 1 0 375.535 1.206 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)NCc2ncc(Br)s2)CC1(C)C ZINC000868578435 656161534 /nfs/dbraw/zinc/16/15/34/656161534.db2.gz BDBJSOGMAVADFK-UHFFFAOYSA-N 1 0 390.351 1.731 20 0 GDADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(Br)cn1 ZINC000869120115 656180429 /nfs/dbraw/zinc/18/04/29/656180429.db2.gz ZBYZOAKHDLUUCU-GFCCVEGCSA-N 1 0 385.306 1.831 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N(CCOC)CC2CC[NH+](C)CC2)c1 ZINC000869764288 656206665 /nfs/dbraw/zinc/20/66/65/656206665.db2.gz KEGJTNZLXFSJMK-UHFFFAOYSA-N 1 0 389.543 1.087 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2[nH]nc3cnc(Br)cc32)CC1=O ZINC000869772264 656206764 /nfs/dbraw/zinc/20/67/64/656206764.db2.gz NFGYWERDENISQF-SECBINFHSA-N 1 0 395.261 1.069 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000869777014 656207248 /nfs/dbraw/zinc/20/72/48/656207248.db2.gz FFHJEJUPJRURLR-ZFWWWQNUSA-N 1 0 383.286 1.714 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870865148 656251021 /nfs/dbraw/zinc/25/10/21/656251021.db2.gz FVBDRULNXMQKOQ-ZDUSSCGKSA-N 1 0 392.319 1.237 20 0 GDADRO CS(=O)(=O)N1CCC(CNC(=O)c2csc(C3CC[NH2+]CC3)n2)CC1 ZINC000870876946 656251455 /nfs/dbraw/zinc/25/14/55/656251455.db2.gz VDNLVTGQFHOYTE-UHFFFAOYSA-N 1 0 386.543 1.012 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000870886917 656252082 /nfs/dbraw/zinc/25/20/82/656252082.db2.gz WBGPUFGBBOPEHD-UHFFFAOYSA-N 1 0 385.452 1.191 20 0 GDADRO [NH3+][C@H](C(=O)N1CCC(Cn2cncn2)CC1)c1cccc(Br)c1 ZINC000870928173 656255940 /nfs/dbraw/zinc/25/59/40/656255940.db2.gz FVFKZHGZXBJOCE-HNNXBMFYSA-N 1 0 378.274 1.979 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCC(N2CCOC2=O)CC1)c1cccc(Br)c1 ZINC000870957263 656259055 /nfs/dbraw/zinc/25/90/55/656259055.db2.gz CFZDIQXAGXHMGR-CQSZACIVSA-N 1 0 382.258 1.892 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1Br ZINC000870998653 656259606 /nfs/dbraw/zinc/25/96/06/656259606.db2.gz FDAOXWPBYCVGAP-CFVMTHIKSA-N 1 0 394.269 1.765 20 0 GDADRO O=C(c1ccc(Br)c(F)c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871000310 656259826 /nfs/dbraw/zinc/25/98/26/656259826.db2.gz IRGVSDBXVTYEJL-HONMWMINSA-N 1 0 398.232 1.595 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871001323 656259935 /nfs/dbraw/zinc/25/99/35/656259935.db2.gz XRMABVRKDDQABU-YUELXQCFSA-N 1 0 394.269 1.765 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000871019845 656260418 /nfs/dbraw/zinc/26/04/18/656260418.db2.gz MHFIIGCFSFAYSZ-RNCFNFMXSA-N 1 0 376.242 1.549 20 0 GDADRO COC(=O)C[C@@H](NC(=O)C[NH+](C)C)c1cccc(I)c1 ZINC000871281596 656265360 /nfs/dbraw/zinc/26/53/60/656265360.db2.gz KVKJGIYHWIIBJO-GFCCVEGCSA-N 1 0 390.221 1.573 20 0 GDADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2N1 ZINC000871597916 656274429 /nfs/dbraw/zinc/27/44/29/656274429.db2.gz XTCBLISOOYMLDT-KRWDZBQOSA-N 1 0 383.901 1.989 20 0 GDADRO C[C@@]12CN(C(=S)NCCS(C)(=O)=O)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000871684720 656276655 /nfs/dbraw/zinc/27/66/55/656276655.db2.gz SKMAGAPHOSCUOE-FUHWJXTLSA-N 1 0 381.567 1.359 20 0 GDADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2N1 ZINC000871807353 656280477 /nfs/dbraw/zinc/28/04/77/656280477.db2.gz MOTFFUDHRBCAJB-JSGCOSHPSA-N 1 0 383.901 1.987 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2onc(Cl)c2c1 ZINC000871809156 656280655 /nfs/dbraw/zinc/28/06/55/656280655.db2.gz SPIBVVGQNQNZEY-NSHDSACASA-N 1 0 385.873 1.918 20 0 GDADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cscc1Br ZINC000871809214 656280672 /nfs/dbraw/zinc/28/06/72/656280672.db2.gz WKEZLUINYSFIBY-SNVBAGLBSA-N 1 0 395.344 1.948 20 0 GDADRO COC(=O)c1ccc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871811684 656281262 /nfs/dbraw/zinc/28/12/62/656281262.db2.gz QLDUOJFGFKFLKE-NWDGAFQWSA-N 1 0 380.388 1.539 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)CCc2noc3ccccc32)C[C@@H]1C(F)(F)F ZINC000871812570 656281588 /nfs/dbraw/zinc/28/15/88/656281588.db2.gz HHCIPGATSAYBFL-PWSUYJOCSA-N 1 0 377.388 1.769 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)C[C@H]1C(F)(F)F ZINC000871812827 656281745 /nfs/dbraw/zinc/28/17/45/656281745.db2.gz LDWUMFMRSPJYQR-VXNVDRBHSA-N 1 0 388.314 1.766 20 0 GDADRO COCc1ccc(OC)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000871813678 656282240 /nfs/dbraw/zinc/28/22/40/656282240.db2.gz JVDYKLQCRQUMNK-NEPJUHHUSA-N 1 0 382.404 1.599 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1F ZINC000871814686 656283105 /nfs/dbraw/zinc/28/31/05/656283105.db2.gz WOKNFEDHEOSKHX-KWQFWETISA-N 1 0 384.351 1.370 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cc3c(cc1Cl)CCCC(=O)N3)C2 ZINC000871815787 656283282 /nfs/dbraw/zinc/28/32/82/656283282.db2.gz UBGNIELUABMXRO-YVEFUNNKSA-N 1 0 383.901 1.845 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)c1Cl ZINC000871815191 656283333 /nfs/dbraw/zinc/28/33/33/656283333.db2.gz AHMQTNCMRZSXRY-LKFCYVNXSA-N 1 0 378.903 1.727 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000871819582 656283706 /nfs/dbraw/zinc/28/37/06/656283706.db2.gz WAFFVZRQCJDVCD-MRXNPFEDSA-N 1 0 386.539 1.681 20 0 GDADRO CN(CCCCCC[NH3+])S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000871823670 656284424 /nfs/dbraw/zinc/28/44/24/656284424.db2.gz QTEPHCXQHDRXIE-UHFFFAOYSA-N 1 0 382.935 1.883 20 0 GDADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000872006669 656317381 /nfs/dbraw/zinc/31/73/81/656317381.db2.gz PGLCGVLIHNVFQP-UHFFFAOYSA-N 1 0 379.404 1.902 20 0 GDADRO O=S1(=O)[C@@H]2CC[C@H]1CC(C[NH2+][C@H]1CCS(=O)(=O)c3ccc(F)cc31)C2 ZINC000872119396 656318610 /nfs/dbraw/zinc/31/86/10/656318610.db2.gz FTZFQSSHNSRQCW-UJMBOELQSA-N 1 0 387.498 1.990 20 0 GDADRO CCc1nc(CN(C)C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cs1 ZINC000872187221 656319564 /nfs/dbraw/zinc/31/95/64/656319564.db2.gz DVYMSRDWPYOIJD-MWLCHTKSSA-N 1 0 378.420 1.260 20 0 GDADRO Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)CC(C)(C)O)C2=O)ccc1Br ZINC000872205761 656320052 /nfs/dbraw/zinc/32/00/52/656320052.db2.gz HPBUEOGKPVHALE-HIFRSBDPSA-N 1 0 385.302 1.974 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2cccc(O)c2Br)C1 ZINC000872257062 656321782 /nfs/dbraw/zinc/32/17/82/656321782.db2.gz KBMYYVQQGLPBOH-BZPMIXESSA-N 1 0 382.258 1.522 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[NH2+]CCC2(C)C)ccc1Cl ZINC000872292917 656322493 /nfs/dbraw/zinc/32/24/93/656322493.db2.gz XGLNMHOSXGKSBH-UHFFFAOYSA-N 1 0 389.905 1.736 20 0 GDADRO CN(CCN(C)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000872439259 656327892 /nfs/dbraw/zinc/32/78/92/656327892.db2.gz PTRQOLXTQIEMIQ-HSZRJFAPSA-N 1 0 382.596 1.085 20 0 GDADRO O=S(=O)(c1ccc(Br)c(F)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872617579 656366503 /nfs/dbraw/zinc/36/65/03/656366503.db2.gz NRYSRPWXCOAIDY-WDEREUQCSA-N 1 0 393.278 1.418 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000872619961 656366750 /nfs/dbraw/zinc/36/67/50/656366750.db2.gz NXZCVNATCHHZFL-YOEHRIQHSA-N 1 0 375.535 1.790 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000872619958 656366836 /nfs/dbraw/zinc/36/68/36/656366836.db2.gz NXZCVNATCHHZFL-PBHICJAKSA-N 1 0 375.535 1.790 20 0 GDADRO CC1([NH+]2CCCCC2)CCN(C(=O)NCCOCCS(C)(=O)=O)CC1 ZINC000872908551 656381449 /nfs/dbraw/zinc/38/14/49/656381449.db2.gz QHUTYYLBLUSNLW-UHFFFAOYSA-N 1 0 375.535 1.098 20 0 GDADRO Cc1sc(C[NH2+]CCS(=O)(=O)N2CCOCC2)cc1Br ZINC000873044322 656384658 /nfs/dbraw/zinc/38/46/58/656384658.db2.gz KDOANZQFWJRVES-UHFFFAOYSA-N 1 0 383.333 1.571 20 0 GDADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1ccccc1Br ZINC000873100854 656386210 /nfs/dbraw/zinc/38/62/10/656386210.db2.gz GXVDWLLGFKYNGZ-LBPRGKRZSA-N 1 0 396.285 1.663 20 0 GDADRO COc1ccc(Cl)c(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873105491 656386349 /nfs/dbraw/zinc/38/63/49/656386349.db2.gz XLNQYRFOUSCRMG-PSASIEDQSA-N 1 0 379.766 1.883 20 0 GDADRO COc1c(Cl)cccc1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873105619 656386409 /nfs/dbraw/zinc/38/64/09/656386409.db2.gz ZLGLRLOBOZQJSF-IUCAKERBSA-N 1 0 379.766 1.883 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl ZINC000873108280 656386814 /nfs/dbraw/zinc/38/68/14/656386814.db2.gz WFEOYEWVHUQSCU-PSASIEDQSA-N 1 0 379.766 1.883 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1cnc(Cl)c(Br)c1)C2 ZINC000873108057 656386852 /nfs/dbraw/zinc/38/68/52/656386852.db2.gz CHTWETVBNCXRRK-RMLUDKJBSA-N 1 0 387.665 1.504 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C2 ZINC000873108558 656387056 /nfs/dbraw/zinc/38/70/56/656387056.db2.gz NGPIQOMWUCNQGC-VXJOIVPMSA-N 1 0 388.212 1.734 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873301474 656390149 /nfs/dbraw/zinc/39/01/49/656390149.db2.gz WEKXECSTJMEDSQ-ZYHUDNBSSA-N 1 0 379.404 1.999 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 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GDADRO O=C(Cn1ccc(Br)cc1=O)NCc1cccc2c1CC[NH2+]C2 ZINC000877142589 656656185 /nfs/dbraw/zinc/65/61/85/656656185.db2.gz TYZYYDMHQHGQIT-UHFFFAOYSA-N 1 0 376.254 1.573 20 0 GDADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000877152602 656656789 /nfs/dbraw/zinc/65/67/89/656656789.db2.gz OQAXVTGVHJHDRV-RKPUJPDHSA-N 1 0 375.450 1.232 20 0 GDADRO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCc1ccc(Br)cn1 ZINC000877247302 656660927 /nfs/dbraw/zinc/66/09/27/656660927.db2.gz HTHSVFHSUJGAHZ-MRXNPFEDSA-N 1 0 377.286 1.920 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1Br ZINC000877279238 656663329 /nfs/dbraw/zinc/66/33/29/656663329.db2.gz CDXNZLBMNLYMOS-QWHCGFSZSA-N 1 0 387.299 1.819 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877287325 656663983 /nfs/dbraw/zinc/66/39/83/656663983.db2.gz KEIJDCRTFITFTJ-LSDHHAIUSA-N 1 0 383.539 1.428 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877286620 656663996 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CCOC(=O)c1ccc(CS(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc1 ZINC000883470880 657289015 /nfs/dbraw/zinc/28/90/15/657289015.db2.gz LCIBRUHWSBGCDS-UHFFFAOYSA-N 1 0 382.404 1.906 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c1 ZINC000883472101 657289813 /nfs/dbraw/zinc/28/98/13/657289813.db2.gz NSOADXBDQMYMLT-UHFFFAOYSA-N 1 0 391.209 1.969 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1c(F)c(F)cc(F)c1F)C2 ZINC000883481030 657291883 /nfs/dbraw/zinc/29/18/83/657291883.db2.gz VOAWAIILSGMZHN-UHFFFAOYSA-N 1 0 381.376 1.905 20 0 GDADRO [NH3+]CC1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000883592778 657299739 /nfs/dbraw/zinc/29/97/39/657299739.db2.gz SQDZAEDFIVKECV-UHFFFAOYSA-N 1 0 383.246 1.983 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593120 657300130 /nfs/dbraw/zinc/30/01/30/657300130.db2.gz BRTVCOHPRASVAB-GZMMTYOYSA-N 1 0 383.246 1.900 20 0 GDADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000883593088 657300236 /nfs/dbraw/zinc/30/02/36/657300236.db2.gz ASZZHCMCICFBOD-MRXNPFEDSA-N 1 0 395.257 1.997 20 0 GDADRO CC[N@@H+]1CC[C@H]1CNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000883672023 657305176 /nfs/dbraw/zinc/30/51/76/657305176.db2.gz XVRNMDSJLOLCFD-ZDUSSCGKSA-N 1 0 388.921 1.402 20 0 GDADRO C[C@H](NC(=O)Nc1cnn(C)c1I)C1=CC[N@H+](C)CC1 ZINC000933734267 657306402 /nfs/dbraw/zinc/30/64/02/657306402.db2.gz BKUHRUFHIRMPNZ-VIFPVBQESA-N 1 0 389.241 1.797 20 0 GDADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cnn(C)c2I)CC[N@@H+]1C ZINC000933737271 657311115 /nfs/dbraw/zinc/31/11/15/657311115.db2.gz PJKMWBOVGXMPPG-UWVGGRQHSA-N 1 0 391.257 1.971 20 0 GDADRO CC[N@H+](CCC(=O)NC)CC(=O)Nc1ccccc1I ZINC000933867842 657323637 /nfs/dbraw/zinc/32/36/37/657323637.db2.gz PVUVDYYHZODZMJ-UHFFFAOYSA-N 1 0 389.237 1.688 20 0 GDADRO O=C(Nc1ccnn1Cc1ccc(Cl)s1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000933929623 657327540 /nfs/dbraw/zinc/32/75/40/657327540.db2.gz PTYPRJZYHJIMRB-NWDGAFQWSA-N 1 0 381.889 1.929 20 0 GDADRO O=C(N1CCOCC1)C1([NH2+]CCn2cnc(Br)n2)CCCCC1 ZINC000934054048 657334717 /nfs/dbraw/zinc/33/47/17/657334717.db2.gz LIMCHWUYDFXUOJ-UHFFFAOYSA-N 1 0 386.294 1.192 20 0 GDADRO COCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000884230671 657337536 /nfs/dbraw/zinc/33/75/36/657337536.db2.gz XIXDDYZIKDXTGI-ZYHUDNBSSA-N 1 0 380.798 1.813 20 0 GDADRO [NH3+]CC[C@H](NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)C(F)(F)F ZINC000884303174 657344531 /nfs/dbraw/zinc/34/45/31/657344531.db2.gz IOBWJMPNVRCOJO-MNOVXSKESA-N 1 0 395.175 1.927 20 0 GDADRO COC(=O)C[C@H](C)N1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884316223 657344801 /nfs/dbraw/zinc/34/48/01/657344801.db2.gz MPEKAPARXZKWOH-BLLLJJGKSA-N 1 0 398.301 1.545 20 0 GDADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934263617 657349326 /nfs/dbraw/zinc/34/93/26/657349326.db2.gz PMZBPPUADAMSTP-PMPSAXMXSA-N 1 0 382.302 1.507 20 0 GDADRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000884348857 657349656 /nfs/dbraw/zinc/34/96/56/657349656.db2.gz IMVQOWVEWOIUHK-CABCVRRESA-N 1 0 385.917 1.980 20 0 GDADRO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884413982 657354829 /nfs/dbraw/zinc/35/48/29/657354829.db2.gz HXMYUNCTNZPVKB-KGLIPLIRSA-N 1 0 383.290 1.663 20 0 GDADRO COCC[C@H]([NH3+])C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000884420314 657355433 /nfs/dbraw/zinc/35/54/33/657355433.db2.gz PKJFWEODJXOZTG-QMMMGPOBSA-N 1 0 377.260 1.503 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCc2ccccc2Cl)C[C@@H]1C(F)(F)F ZINC000884499068 657361267 /nfs/dbraw/zinc/36/12/67/657361267.db2.gz UCEPFCDWDWRLQX-NEPJUHHUSA-N 1 0 377.794 1.594 20 0 GDADRO CCC1([NH3+])CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000884515819 657362231 /nfs/dbraw/zinc/36/22/31/657362231.db2.gz SQMMQFBYAVNTNZ-UHFFFAOYSA-N 1 0 382.302 1.838 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000884511581 657362411 /nfs/dbraw/zinc/36/24/11/657362411.db2.gz LDWQQDYINQTJAV-MRVWCRGKSA-N 1 0 395.301 1.092 20 0 GDADRO C[C@](CO)([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1cccc(Br)c1 ZINC000934495640 657363593 /nfs/dbraw/zinc/36/35/93/657363593.db2.gz GEMYIJIOLRQERL-SJLPKXTDSA-N 1 0 397.313 1.884 20 0 GDADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934497348 657363969 /nfs/dbraw/zinc/36/39/69/657363969.db2.gz UWHXAEKPQWBGQA-APHBMKBZSA-N 1 0 376.291 1.659 20 0 GDADRO CCN(C(=O)C(=O)NCCc1ccc(Br)cc1F)[C@H]1CC[NH2+]C1 ZINC000884656357 657368830 /nfs/dbraw/zinc/36/88/30/657368830.db2.gz DCTSOJIJJCCLIK-ZDUSSCGKSA-N 1 0 386.265 1.457 20 0 GDADRO COC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1cccc(Br)c1 ZINC000884678851 657370616 /nfs/dbraw/zinc/37/06/16/657370616.db2.gz NVERFVSCRYBKJQ-KBPBESRZSA-N 1 0 384.274 1.106 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000884684760 657371230 /nfs/dbraw/zinc/37/12/30/657371230.db2.gz OPYCMISTHIKNTR-UHFFFAOYSA-N 1 0 378.782 1.756 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000884699054 657373474 /nfs/dbraw/zinc/37/34/74/657373474.db2.gz WTXVPGMYYWHNKS-QMMMGPOBSA-N 1 0 396.207 1.795 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1cccc(Br)c1 ZINC000884729859 657376566 /nfs/dbraw/zinc/37/65/66/657376566.db2.gz XHUOUVHKECMTFG-SUNKGSAMSA-N 1 0 386.290 1.495 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884774269 657378967 /nfs/dbraw/zinc/37/89/67/657378967.db2.gz JBOKBBPDKGRWBT-LSDHHAIUSA-N 1 0 380.286 1.727 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)CCCC1 ZINC000884782915 657379325 /nfs/dbraw/zinc/37/93/25/657379325.db2.gz UMOLMYMJYLXTSE-UHFFFAOYSA-N 1 0 375.803 1.945 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C[NH2+]1 ZINC000884817627 657380682 /nfs/dbraw/zinc/38/06/82/657380682.db2.gz PKRGCVOGHIUVMB-IUODEOHRSA-N 1 0 394.313 1.854 20 0 GDADRO O=C1CCCN1CCC[NH2+][C@@H](CO)c1ccccc1I ZINC000934827897 657380687 /nfs/dbraw/zinc/38/06/87/657380687.db2.gz ARDVFPKMZRHWAC-AWEZNQCLSA-N 1 0 388.249 1.927 20 0 GDADRO Cc1scc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1C ZINC000884856789 657382358 /nfs/dbraw/zinc/38/23/58/657382358.db2.gz LGDLCVKEFVTIKS-DGCLKSJQSA-N 1 0 377.432 1.967 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C1 ZINC000884990511 657397471 /nfs/dbraw/zinc/39/74/71/657397471.db2.gz HHGOGIFLOFVMML-SNVBAGLBSA-N 1 0 375.803 1.755 20 0 GDADRO CS[C@H]1CN(C(=O)c2cc(Br)cn3ncnc23)C[C@@H]1[NH+](C)C ZINC000935112212 657402862 /nfs/dbraw/zinc/40/28/62/657402862.db2.gz WKAVRAWRYPPAMO-RYUDHWBXSA-N 1 0 384.303 1.609 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(C)c(Br)c2)CC[C@H]1[NH3+] ZINC000885096087 657418104 /nfs/dbraw/zinc/41/81/04/657418104.db2.gz GEUKHFRGBRKMLM-UKRRQHHQSA-N 1 0 382.302 1.960 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000885096102 657418684 /nfs/dbraw/zinc/41/86/84/657418684.db2.gz GTMOEZMWGSBHMO-KRWDZBQOSA-N 1 0 380.286 1.586 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000885102498 657419869 /nfs/dbraw/zinc/41/98/69/657419869.db2.gz RXYGQNLVIMHGKH-ZDUSSCGKSA-N 1 0 394.313 1.665 20 0 GDADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885108842 657421184 /nfs/dbraw/zinc/42/11/84/657421184.db2.gz ALAZECKVMOQODU-DTORHVGOSA-N 1 0 376.766 1.048 20 0 GDADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NCc2ncc(Cl)s2)CC1 ZINC000885108652 657421275 /nfs/dbraw/zinc/42/12/75/657421275.db2.gz SFRZUHHKNAERLM-RISCZKNCSA-N 1 0 386.905 1.158 20 0 GDADRO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccc(I)cc1 ZINC000935399875 657429623 /nfs/dbraw/zinc/42/96/23/657429623.db2.gz OILQYOMSMSGIMG-IAQYHMDHSA-N 1 0 388.249 1.578 20 0 GDADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)C(=O)NCc3cscc3Cl)CC2)C1 ZINC000885235668 657431872 /nfs/dbraw/zinc/43/18/72/657431872.db2.gz RGPDCBYVHDSRNI-DZGCQCFKSA-N 1 0 385.917 1.763 20 0 GDADRO CN(Cc1c(F)cccc1Cl)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885280265 657437959 /nfs/dbraw/zinc/43/79/59/657437959.db2.gz OKHBEMUVRGNADU-SNVBAGLBSA-N 1 0 377.794 1.799 20 0 GDADRO C[NH+]1CCC(OCC(=O)N(CCO)Cc2ccc(Br)s2)CC1 ZINC000935627729 657456045 /nfs/dbraw/zinc/45/60/45/657456045.db2.gz CRNDXCVMUJBVNK-UHFFFAOYSA-N 1 0 391.331 1.942 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc2c(Br)cnn2c1 ZINC000935780999 657484624 /nfs/dbraw/zinc/48/46/24/657484624.db2.gz ULQWIGYYUAUAMQ-CYBMUJFWSA-N 1 0 383.290 1.919 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cnn2cccc(Br)c12 ZINC000935843777 657499759 /nfs/dbraw/zinc/49/97/59/657499759.db2.gz VVKPGIIEIMDQCX-GFCCVEGCSA-N 1 0 378.274 1.217 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(Br)c2nccnc2c1 ZINC000935984723 657535268 /nfs/dbraw/zinc/53/52/68/657535268.db2.gz LWDKNODKIIASAI-LBPRGKRZSA-N 1 0 379.258 1.579 20 0 GDADRO O=C(c1cnn2cccc(Br)c12)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000935983630 657535344 /nfs/dbraw/zinc/53/53/44/657535344.db2.gz JXTDZAHCAOMIKH-NEPJUHHUSA-N 1 0 379.258 1.378 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cscc3Cl)C[C@@H]2O)CC[N@@H+]1C ZINC000964741263 657580886 /nfs/dbraw/zinc/58/08/86/657580886.db2.gz MBHJELVHPBNCSP-QOWREQOWSA-N 1 0 385.917 1.433 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCOC3(CCOCC3)C2)c(C)s1 ZINC000886039896 657590862 /nfs/dbraw/zinc/59/08/62/657590862.db2.gz RMZYDKDOECXEBE-HNNXBMFYSA-N 1 0 388.555 1.961 20 0 GDADRO C[N@H+](CC(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1)[C@@H]1CCSC1 ZINC000886172847 657594124 /nfs/dbraw/zinc/59/41/24/657594124.db2.gz XLALKTGTOQKBOM-OAHLLOKOSA-N 1 0 389.587 1.230 20 0 GDADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCN1CCNC1=O ZINC000886323020 657643846 /nfs/dbraw/zinc/64/38/46/657643846.db2.gz BOXXOVUZFHXNNN-UHFFFAOYSA-N 1 0 392.095 1.909 20 0 GDADRO O=C(C[N@@H+]1C[C@@H]2C[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000886338395 657644190 /nfs/dbraw/zinc/64/41/90/657644190.db2.gz KVGXVJKCHLVVDI-OKILXGFUSA-N 1 0 383.901 1.125 20 0 GDADRO C[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cc(Br)ncc1F ZINC000886699020 657682299 /nfs/dbraw/zinc/68/22/99/657682299.db2.gz RLQAFWVBFMAJIM-SECBINFHSA-N 1 0 395.236 1.618 20 0 GDADRO CC[NH+]1CCN(CCC(=O)NC2(c3ncc(Br)cn3)CCC2)CC1 ZINC000886839232 657706542 /nfs/dbraw/zinc/70/65/42/657706542.db2.gz ZIMODECAMOWQGY-UHFFFAOYSA-N 1 0 396.333 1.762 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1Br ZINC000886889492 657719120 /nfs/dbraw/zinc/71/91/20/657719120.db2.gz XMEMJQWRGOGVMJ-MNOVXSKESA-N 1 0 393.303 1.585 20 0 GDADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886898206 657724808 /nfs/dbraw/zinc/72/48/08/657724808.db2.gz UVLKWRARMNAEHL-SECBINFHSA-N 1 0 382.816 1.650 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886899964 657725385 /nfs/dbraw/zinc/72/53/85/657725385.db2.gz ZSMGRWUYNXYKQZ-KRWDZBQOSA-N 1 0 386.539 1.386 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c1Br ZINC000886900578 657726396 /nfs/dbraw/zinc/72/63/96/657726396.db2.gz BQAHBCIHYTVWGA-ZDUSSCGKSA-N 1 0 377.308 1.337 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000886926385 657727051 /nfs/dbraw/zinc/72/70/51/657727051.db2.gz LDSBUVVOGGTTCA-NSHDSACASA-N 1 0 376.429 1.303 20 0 GDADRO CNS(=O)(=O)c1cc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1C ZINC000886927779 657727904 /nfs/dbraw/zinc/72/79/04/657727904.db2.gz WMJRMFZKZBTNEF-NSHDSACASA-N 1 0 376.429 1.269 20 0 GDADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000886934173 657727993 /nfs/dbraw/zinc/72/79/93/657727993.db2.gz OGOMLXSMDQCSGN-NSHDSACASA-N 1 0 376.429 1.269 20 0 GDADRO CCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1OC)[C@H]1CC[NH2+]C1 ZINC000887000591 657734432 /nfs/dbraw/zinc/73/44/32/657734432.db2.gz HGBPMHXVWHCPRC-LBPRGKRZSA-N 1 0 384.274 1.915 20 0 GDADRO COC(=O)c1cc(Br)cc(NC(=O)NCC[N@H+](C)CCO)c1C ZINC000888561435 657918622 /nfs/dbraw/zinc/91/86/22/657918622.db2.gz UHLGGTVYSKTUOQ-UHFFFAOYSA-N 1 0 388.262 1.590 20 0 GDADRO CN1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC[N@H+](C)CC1 ZINC000888989047 657964812 /nfs/dbraw/zinc/96/48/12/657964812.db2.gz YMIZPUOEECMCAE-OAHLLOKOSA-N 1 0 382.302 1.631 20 0 GDADRO O=C(c1nccn2c(Br)cnc12)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889764177 658035128 /nfs/dbraw/zinc/03/51/28/658035128.db2.gz VUYGUJBRNKXEJG-NWDGAFQWSA-N 1 0 394.273 1.163 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000889812290 658044318 /nfs/dbraw/zinc/04/43/18/658044318.db2.gz VDIWQFQQUJSIOX-STQMWFEESA-N 1 0 381.274 1.698 20 0 GDADRO C[NH+](C)C1(C(=O)N[C@@H](CO)c2ccccc2I)CCC1 ZINC000891322061 658224032 /nfs/dbraw/zinc/22/40/32/658224032.db2.gz MRJQJIFZECNAET-ZDUSSCGKSA-N 1 0 388.249 1.925 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)c1ccccc1I ZINC000891327442 658228474 /nfs/dbraw/zinc/22/84/74/658228474.db2.gz XIUPPFFVWLMNGD-ZIAGYGMSSA-N 1 0 388.249 1.925 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCCN2CCc3sccc3C2)C[C@H]1C(F)(F)F ZINC000891411676 658237021 /nfs/dbraw/zinc/23/70/21/658237021.db2.gz ONRFSVSUGHCABA-CHWSQXEVSA-N 1 0 376.448 1.885 20 0 GDADRO CCN(C(=O)NCCCNC(=O)c1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000891473477 658243337 /nfs/dbraw/zinc/24/33/37/658243337.db2.gz WHUASKDPIZQXRO-OAHLLOKOSA-N 1 0 397.317 1.962 20 0 GDADRO CCN(C(=O)NCCNC(=O)c1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000891473927 658243404 /nfs/dbraw/zinc/24/34/04/658243404.db2.gz PKXPRZWMMVQDPX-CQSZACIVSA-N 1 0 383.290 1.572 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](CNC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)C1 ZINC000891710256 658267853 /nfs/dbraw/zinc/26/78/53/658267853.db2.gz YRYGHMRDBMCDBM-AWEZNQCLSA-N 1 0 388.921 1.092 20 0 GDADRO C[C@]1(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1(Cl)Cl ZINC000891936003 658284756 /nfs/dbraw/zinc/28/47/56/658284756.db2.gz LHVFWOZGJQBUIP-NJBDSQKTSA-N 1 0 377.272 1.147 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)NCC[NH+]1CCC(O)CC1 ZINC000891940077 658286382 /nfs/dbraw/zinc/28/63/82/658286382.db2.gz BPAMWPHQKLTYEX-UHFFFAOYSA-N 1 0 376.288 1.556 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000892001088 658289718 /nfs/dbraw/zinc/28/97/18/658289718.db2.gz DSHAQTQPQXZKMM-AWEZNQCLSA-N 1 0 381.274 1.165 20 0 GDADRO CN1CCN(C(=O)NCc2csc(Br)c2)CC[N@H+](C)CC1 ZINC000892034531 658292624 /nfs/dbraw/zinc/29/26/24/658292624.db2.gz PVZKWZOSFALDKQ-UHFFFAOYSA-N 1 0 375.336 1.899 20 0 GDADRO CCOC(=O)c1ncc(Br)c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000892141735 658299411 /nfs/dbraw/zinc/29/94/11/658299411.db2.gz CKFCEWSBSVQEGJ-WDEREUQCSA-N 1 0 385.262 1.113 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1COc2cccc(Br)c2C1 ZINC000892171034 658301438 /nfs/dbraw/zinc/30/14/38/658301438.db2.gz WWJCTKOTXMRZRT-VXGBXAGGSA-N 1 0 384.274 1.430 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000892198799 658304117 /nfs/dbraw/zinc/30/41/17/658304117.db2.gz GIOKLQFKLLDIDE-QWHCGFSZSA-N 1 0 397.317 1.929 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000892430209 658326354 /nfs/dbraw/zinc/32/63/54/658326354.db2.gz AVCMSSASYPUVBX-JOYOIKCWSA-N 1 0 384.278 1.347 20 0 GDADRO Cn1ncc(I)c1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892454131 658327762 /nfs/dbraw/zinc/32/77/62/658327762.db2.gz PUPXRKPMWGFJGX-UHFFFAOYSA-N 1 0 389.241 1.190 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)C1 ZINC000892560447 658333618 /nfs/dbraw/zinc/33/36/18/658333618.db2.gz RUXFMWIPBZHIOT-GDLCADMTSA-N 1 0 381.274 1.369 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)C1 ZINC000892574267 658334318 /nfs/dbraw/zinc/33/43/18/658334318.db2.gz RUXFMWIPBZHIOT-BPNCWPANSA-N 1 0 381.274 1.369 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1 ZINC000892582708 658334505 /nfs/dbraw/zinc/33/45/05/658334505.db2.gz HSCQYLRWFMDRAU-JOCQHMNTSA-N 1 0 386.905 1.093 20 0 GDADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000892697826 658343603 /nfs/dbraw/zinc/34/36/03/658343603.db2.gz VGVOLDOVVJFERB-NEPJUHHUSA-N 1 0 380.919 1.031 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1ncc(Br)cc1O)N1CCSCC1 ZINC000892905650 658359298 /nfs/dbraw/zinc/35/92/98/658359298.db2.gz NRNHSYDEZFCGCP-UHFFFAOYSA-N 1 0 396.332 1.018 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cc(O)cc(Cl)c3)CC2)cn1 ZINC000893032772 658369045 /nfs/dbraw/zinc/36/90/45/658369045.db2.gz UOYSGZUTRUHQJF-UHFFFAOYSA-N 1 0 384.889 1.722 20 0 GDADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1nc(F)ccc1Br ZINC000893225980 658387113 /nfs/dbraw/zinc/38/71/13/658387113.db2.gz KTPWGPSJIBNOGI-OAHLLOKOSA-N 1 0 390.253 1.402 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2sccc2Br)cn1 ZINC000893550957 658420781 /nfs/dbraw/zinc/42/07/81/658420781.db2.gz QAEJMZYAUXIQPI-UHFFFAOYSA-N 1 0 386.319 1.997 20 0 GDADRO CN(CCNC(=O)N1CCC12CC[NH+](C)CC2)S(=O)(=O)c1cccs1 ZINC000893770923 658446307 /nfs/dbraw/zinc/44/63/07/658446307.db2.gz ZQVWNJYVCDTNEW-UHFFFAOYSA-N 1 0 386.543 1.248 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)NCc2ncc(Br)cn2)CC1 ZINC000893867938 658471188 /nfs/dbraw/zinc/47/11/88/658471188.db2.gz VITDBUQNSOGTKQ-UHFFFAOYSA-N 1 0 385.310 1.064 20 0 GDADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000893871664 658471273 /nfs/dbraw/zinc/47/12/73/658471273.db2.gz LFJIODCTGIHIGD-LBPRGKRZSA-N 1 0 375.878 1.346 20 0 GDADRO Cn1ncc(I)c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000893901824 658473458 /nfs/dbraw/zinc/47/34/58/658473458.db2.gz FIDBEHFNERHBQV-LBPRGKRZSA-N 1 0 390.269 1.321 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H]2C[C@]2(C)Br)C1 ZINC000894005724 658489684 /nfs/dbraw/zinc/48/96/84/658489684.db2.gz MJQMKEVOBODLEL-MCIONIFRSA-N 1 0 383.352 1.532 20 0 GDADRO Cn1ncc(I)c1CN1CCC([N@H+](C)CCCO)CC1 ZINC000894026374 658495458 /nfs/dbraw/zinc/49/54/58/658495458.db2.gz NDCJYHVNDLAUJJ-UHFFFAOYSA-N 1 0 392.285 1.303 20 0 GDADRO Cn1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(I)n1 ZINC000894077984 658503013 /nfs/dbraw/zinc/50/30/13/658503013.db2.gz YGXUFWXMPKDADL-LBPRGKRZSA-N 1 0 390.269 1.179 20 0 GDADRO CC[NH+]1CCN(c2ccc(CNCc3nc(Br)nn3C)cn2)CC1 ZINC000894183770 658518077 /nfs/dbraw/zinc/51/80/77/658518077.db2.gz KSSMPJPIAZGYPU-UHFFFAOYSA-N 1 0 394.321 1.404 20 0 GDADRO Cn1nc(Br)nc1CN[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000894258578 658528952 /nfs/dbraw/zinc/52/89/52/658528952.db2.gz DLMALKVYYOLSHK-KRWDZBQOSA-N 1 0 394.317 1.694 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(I)cnn2C)C1 ZINC000894272926 658531288 /nfs/dbraw/zinc/53/12/88/658531288.db2.gz GGWTXFLIXZNSHQ-GHMZBOCLSA-N 1 0 390.269 1.761 20 0 GDADRO C[NH+](C)Cc1ccc(CN[C@H]2CCCS(=O)(=O)C2)c2c1OC(F)(F)O2 ZINC000894287888 658532941 /nfs/dbraw/zinc/53/29/41/658532941.db2.gz LPAZSRQBHVQLIA-ZDUSSCGKSA-N 1 0 376.425 1.737 20 0 GDADRO C[NH+](C)CCOCCNC(=O)N[C@](C)(CO)c1cccc(Br)c1 ZINC000894368342 658546098 /nfs/dbraw/zinc/54/60/98/658546098.db2.gz ZHWGUYAIVAUWFA-MRXNPFEDSA-N 1 0 388.306 1.534 20 0 GDADRO C[NH+](C)CCN1CCN(c2ncc(Br)c3cccnc32)CC1=O ZINC000894384219 658548696 /nfs/dbraw/zinc/54/86/96/658548696.db2.gz ZLLGUGGXPSIVSI-UHFFFAOYSA-N 1 0 378.274 1.603 20 0 GDADRO CCS(=O)(=O)NC1CC[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000894453994 658560798 /nfs/dbraw/zinc/56/07/98/658560798.db2.gz JYGJZIKWUMSZGO-OTVXOJSOSA-N 1 0 375.535 1.693 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000894675077 658596796 /nfs/dbraw/zinc/59/67/96/658596796.db2.gz AKSJQRBJIABZOQ-UHFFFAOYSA-N 1 0 380.388 1.662 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC000894682160 658597686 /nfs/dbraw/zinc/59/76/86/658597686.db2.gz QMMBSSVAHBPXNX-IRXDYDNUSA-N 1 0 376.519 1.163 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894798338 658614731 /nfs/dbraw/zinc/61/47/31/658614731.db2.gz BVGZRGLHOCZQQV-UKRRQHHQSA-N 1 0 391.921 1.837 20 0 GDADRO COCC1(C[NH2+]Cc2c(I)cnn2C)CCOCC1 ZINC000894831088 658623576 /nfs/dbraw/zinc/62/35/76/658623576.db2.gz MMZZZQVIVRRQQT-UHFFFAOYSA-N 1 0 379.242 1.558 20 0 GDADRO COC(=O)[C@H]1CN(Cc2sc(N3CCOCC3)nc2Cl)CC[N@H+](C)C1 ZINC000894994601 658645330 /nfs/dbraw/zinc/64/53/30/658645330.db2.gz RRWKVVGTPXOEJQ-GFCCVEGCSA-N 1 0 388.921 1.170 20 0 GDADRO CCC(CC)[NH2+]CCNC(=O)NCc1nn(C)cc1I ZINC000895232148 658677299 /nfs/dbraw/zinc/67/72/99/658677299.db2.gz YDVNYQCFCWJBEA-UHFFFAOYSA-N 1 0 393.273 1.602 20 0 GDADRO Cn1nc(Br)nc1CNC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000895340591 658687882 /nfs/dbraw/zinc/68/78/82/658687882.db2.gz XMGSZZLUOJNEQJ-OAHLLOKOSA-N 1 0 393.333 1.483 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000895344062 658688956 /nfs/dbraw/zinc/68/89/56/658688956.db2.gz LCNKLTYQPYBGBQ-JJRVBVJISA-N 1 0 376.519 1.425 20 0 GDADRO Brc1cnc(CNC2CC[NH+](CCN3CCOCC3)CC2)cn1 ZINC000895407916 658694835 /nfs/dbraw/zinc/69/48/35/658694835.db2.gz JBPGQQMCWMEAKE-UHFFFAOYSA-N 1 0 384.322 1.125 20 0 GDADRO C[C@@H]1CC[C@@H]([NH2+]CC2(S(=O)(=O)N(C)C)CC2)CN1C(=O)OC(C)(C)C ZINC000895810229 658730788 /nfs/dbraw/zinc/73/07/88/658730788.db2.gz JFNAZXBSTQCYJQ-ZIAGYGMSSA-N 1 0 375.535 1.788 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)C1 ZINC000895842842 658733186 /nfs/dbraw/zinc/73/31/86/658733186.db2.gz YWCUELNJKQLXMU-QWHCGFSZSA-N 1 0 396.289 1.491 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C[C@H]2C[C@]2(C)Br)c1 ZINC000895964307 658742358 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RFYRICHIPOTUOY-SNVBAGLBSA-N 1 0 395.344 1.948 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Br)s1 ZINC000903546858 659336783 /nfs/dbraw/zinc/33/67/83/659336783.db2.gz AXPSUFFDXXKSND-JTQLQIEISA-N 1 0 395.344 1.948 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(I)s1 ZINC000903559224 659340782 /nfs/dbraw/zinc/34/07/82/659340782.db2.gz GYLQDBAXBBGPEP-XLPZGREQSA-N 1 0 384.264 1.524 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000903563578 659341973 /nfs/dbraw/zinc/34/19/73/659341973.db2.gz ADGJAVYGWHDDOZ-PMOUVXMZSA-N 1 0 386.901 1.927 20 0 GDADRO O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000903564563 659342557 /nfs/dbraw/zinc/34/25/57/659342557.db2.gz ADTYKNWJRXDLFI-KGYLQXTDSA-N 1 0 377.388 1.150 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000903566465 659343871 /nfs/dbraw/zinc/34/38/71/659343871.db2.gz VLQDLXHNHGXUPV-UHFFFAOYSA-N 1 0 381.420 1.329 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903570221 659344229 /nfs/dbraw/zinc/34/42/29/659344229.db2.gz WIDGLDHTZNYJLN-SZEHBUNVSA-N 1 0 385.433 1.455 20 0 GDADRO COc1cc(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)c(OC)cc1Br ZINC000903570002 659344294 /nfs/dbraw/zinc/34/42/94/659344294.db2.gz VBDSLNVIHWDTRZ-KYZUINATSA-N 1 0 379.276 1.482 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)C[C@H]1C(F)(F)F ZINC000903570588 659344606 /nfs/dbraw/zinc/34/46/06/659344606.db2.gz RTJSQYWGQXHTGF-VXGBXAGGSA-N 1 0 379.360 1.153 20 0 GDADRO CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cc21 ZINC000903570445 659344700 /nfs/dbraw/zinc/34/47/00/659344700.db2.gz JCFVUYDMCXIXKE-CHWSQXEVSA-N 1 0 377.388 1.106 20 0 GDADRO O=C(CCN1CCCC[C@@H]1c1ncc(Br)cn1)N1CC[NH2+]CC1 ZINC000903577201 659348321 /nfs/dbraw/zinc/34/83/21/659348321.db2.gz FGGQXWXECWQECI-CQSZACIVSA-N 1 0 382.306 1.588 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnn(C3CCOCC3)c2)CC[C@@H]1C(F)(F)F ZINC000903578360 659349438 /nfs/dbraw/zinc/34/94/38/659349438.db2.gz GLTWMMYVMFFLEO-QWHCGFSZSA-N 1 0 382.408 1.135 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC[C@@H]1C(F)(F)F ZINC000903578629 659349491 /nfs/dbraw/zinc/34/94/91/659349491.db2.gz JAAMGLORCFJGJW-RYUDHWBXSA-N 1 0 376.356 1.693 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903578660 659349604 /nfs/dbraw/zinc/34/96/04/659349604.db2.gz JITYGPBWBUKKDK-NWDGAFQWSA-N 1 0 384.351 1.513 20 0 GDADRO Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@H]([NH3+])C3)cc12 ZINC000903579706 659350212 /nfs/dbraw/zinc/35/02/12/659350212.db2.gz PDGADAHOBHTUKB-NWDGAFQWSA-N 1 0 377.392 1.177 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC[C@H]1C(F)(F)F ZINC000903580378 659351121 /nfs/dbraw/zinc/35/11/21/659351121.db2.gz UNGRZPRTRQXYKN-VXGBXAGGSA-N 1 0 375.372 1.428 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 ZINC000903589709 659355849 /nfs/dbraw/zinc/35/58/49/659355849.db2.gz IGKIKKZZBZUYPG-UHFFFAOYSA-N 1 0 393.303 1.854 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000903611641 659362299 /nfs/dbraw/zinc/36/22/99/659362299.db2.gz WEKUQYVXZONZGN-WFASDCNBSA-N 1 0 392.930 1.305 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903773814 659379846 /nfs/dbraw/zinc/37/98/46/659379846.db2.gz PNIQJYKAEYVTCC-ZDUSSCGKSA-N 1 0 386.265 1.742 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cscc2Br)C[C@H]1CC[NH3+] ZINC000903777099 659380065 /nfs/dbraw/zinc/38/00/65/659380065.db2.gz RHSDEWTXMSBHGN-GHMZBOCLSA-N 1 0 388.331 1.912 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC[C@@H]1[NH3+] ZINC000903801205 659381531 /nfs/dbraw/zinc/38/15/31/659381531.db2.gz MXCZHXVJDHHCGF-BYCMXARLSA-N 1 0 395.301 1.703 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000903802832 659381813 /nfs/dbraw/zinc/38/18/13/659381813.db2.gz YEQHHRWYQXAKTQ-AWEZNQCLSA-N 1 0 383.290 1.576 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000903831170 659382881 /nfs/dbraw/zinc/38/28/81/659382881.db2.gz OPMTXADYPSZSCL-CQSZACIVSA-N 1 0 391.331 1.533 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000903836621 659383360 /nfs/dbraw/zinc/38/33/60/659383360.db2.gz QCRVJVYLZPIOHI-CQSZACIVSA-N 1 0 391.331 1.533 20 0 GDADRO COC[C@H]1C[NH2+]CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000903877975 659386625 /nfs/dbraw/zinc/38/66/25/659386625.db2.gz ZELMHVOSAZMLPA-SNVBAGLBSA-N 1 0 378.217 1.586 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(COc3ccc(Cl)cc3)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000904084976 659394654 /nfs/dbraw/zinc/39/46/54/659394654.db2.gz MUQQVQSOUIGGMZ-GDLCADMTSA-N 1 0 383.857 1.477 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N2CC[NH2+]CCC23CCOCC3)c1=O ZINC000904367476 659399724 /nfs/dbraw/zinc/39/97/24/659399724.db2.gz BYFZVIKCUJJSFJ-UHFFFAOYSA-N 1 0 399.289 1.524 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])c1=O ZINC000904368003 659399922 /nfs/dbraw/zinc/39/99/22/659399922.db2.gz MVQFEAGLPUEEOV-TZMCWYRMSA-N 1 0 377.242 1.894 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1)C(F)(F)F ZINC000904519241 659402950 /nfs/dbraw/zinc/40/29/50/659402950.db2.gz SVXRLCOPHMPYTB-CHWSQXEVSA-N 1 0 379.404 1.447 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905010263 659417173 /nfs/dbraw/zinc/41/71/73/659417173.db2.gz VKEKENORGBVBOX-KRWDZBQOSA-N 1 0 380.286 1.762 20 0 GDADRO CCc1nc(CC[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)cs1 ZINC000905080134 659420576 /nfs/dbraw/zinc/42/05/76/659420576.db2.gz CBLWFTHRQLTFTE-CQSZACIVSA-N 1 0 389.587 1.839 20 0 GDADRO C[NH+]1CCN(Cc2ccc(NS(=O)(=O)N=S3(=O)CCCC3)cc2)CC1 ZINC000905095540 659423133 /nfs/dbraw/zinc/42/31/33/659423133.db2.gz HSCHUQYWRBLKMM-UHFFFAOYSA-N 1 0 386.543 1.353 20 0 GDADRO Cc1ncc(CC[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000905178624 659429868 /nfs/dbraw/zinc/42/98/68/659429868.db2.gz YKBVHJFJDNVKMF-AWEZNQCLSA-N 1 0 375.560 1.585 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CCSCC(F)(F)F)CCC1 ZINC000905193908 659431297 /nfs/dbraw/zinc/43/12/97/659431297.db2.gz GTDRXLMGTQOFPL-LLVKDONJSA-N 1 0 392.509 1.873 20 0 GDADRO CCC1(O)CCC([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905195661 659431845 /nfs/dbraw/zinc/43/18/45/659431845.db2.gz PFDPBEDOODWMPT-ISXOHVOVSA-N 1 0 376.563 1.661 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]Cc2ccc(Cl)cn2)CCC1 ZINC000905204442 659432636 /nfs/dbraw/zinc/43/26/36/659432636.db2.gz ZODARNAWEYZCSW-AWEZNQCLSA-N 1 0 375.922 1.826 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CCC[C@H]2CCCCO2)CCC1 ZINC000905210993 659433429 /nfs/dbraw/zinc/43/34/29/659433429.db2.gz BEPFTFVWCNMBHT-CVEARBPZSA-N 1 0 376.563 1.927 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC000905223122 659434621 /nfs/dbraw/zinc/43/46/21/659434621.db2.gz RCKWVPJRLIKCSJ-UHFFFAOYSA-N 1 0 375.516 1.173 20 0 GDADRO O=S(=O)(NCCC[NH2+]C[C@@H](O)CC1(O)CCCC1)c1ccccc1Cl ZINC000905245549 659436705 /nfs/dbraw/zinc/43/67/05/659436705.db2.gz WNMGOEHXJLKVSA-AWEZNQCLSA-N 1 0 390.933 1.654 20 0 GDADRO O[C@@H](C[NH2+]CCc1c[nH]c2cccc(Br)c12)C[C@]1(O)CCOC1 ZINC000905260830 659438327 /nfs/dbraw/zinc/43/83/27/659438327.db2.gz NSXAYDWWVBYQLW-CXAGYDPISA-N 1 0 383.286 1.965 20 0 GDADRO Cc1ncsc1CC[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905271138 659438677 /nfs/dbraw/zinc/43/86/77/659438677.db2.gz BDMBIEIWLJHSRJ-CQSZACIVSA-N 1 0 375.560 1.585 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]C[C@@H](O)c2ccsc2)CCC1 ZINC000905353211 659445823 /nfs/dbraw/zinc/44/58/23/659445823.db2.gz HUTKNZUHLXHBPM-KGLIPLIRSA-N 1 0 376.544 1.373 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCCC3)ccc1Cl ZINC000905351176 659445857 /nfs/dbraw/zinc/44/58/57/659445857.db2.gz LHNOTXOGLICQTP-AWEZNQCLSA-N 1 0 392.930 1.697 20 0 GDADRO CC(C)[C@H](O)C1(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905367321 659448282 /nfs/dbraw/zinc/44/82/82/659448282.db2.gz SDEREDGXIBQDAI-CABCVRRESA-N 1 0 376.563 1.375 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905408543 659451416 /nfs/dbraw/zinc/45/14/16/659451416.db2.gz OWWHKQGEGLYKTK-SNVBAGLBSA-N 1 0 379.242 1.170 20 0 GDADRO O=c1[nH]c(=O)n(C2CC2)cc1C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000905429300 659452462 /nfs/dbraw/zinc/45/24/62/659452462.db2.gz YVEFMTBHOWOTAR-CQSZACIVSA-N 1 0 380.242 1.870 20 0 GDADRO Cn1ccn2c(CC[NH2+]C[C@H](O)c3ccc(Br)cc3)nnc2c1=O ZINC000905472158 659455720 /nfs/dbraw/zinc/45/57/20/659455720.db2.gz GFVFXYCFTZDQTE-ZDUSSCGKSA-N 1 0 392.257 1.056 20 0 GDADRO Cn1ccn2c(CC[NH2+]C[C@@H](O)c3cccc(Br)c3)nnc2c1=O ZINC000905472423 659455880 /nfs/dbraw/zinc/45/58/80/659455880.db2.gz HPTLOEOQVVOFGJ-CYBMUJFWSA-N 1 0 392.257 1.056 20 0 GDADRO O[C@@H](C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1)COc1cc(F)cc(Br)c1 ZINC000905469546 659455932 /nfs/dbraw/zinc/45/59/32/659455932.db2.gz ZOQHCGCGGRRGCJ-DARAHFNDSA-N 1 0 392.265 1.582 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC[NH2+]CC2(O)CCCC2)C1 ZINC000905508568 659460683 /nfs/dbraw/zinc/46/06/83/659460683.db2.gz JEUNNDSOXZCXSX-CQSZACIVSA-N 1 0 376.519 1.305 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC1 ZINC000905552538 659464472 /nfs/dbraw/zinc/46/44/72/659464472.db2.gz YJAXOKUXDBVCKX-UHFFFAOYSA-N 1 0 383.283 1.551 20 0 GDADRO Cc1c(Br)cccc1CC[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000905562164 659465775 /nfs/dbraw/zinc/46/57/75/659465775.db2.gz VGMHAGMXVITAQD-UHFFFAOYSA-N 1 0 376.316 1.829 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000905565950 659465935 /nfs/dbraw/zinc/46/59/35/659465935.db2.gz UGJVMVWIICBAEA-DZGCQCFKSA-N 1 0 380.432 1.740 20 0 GDADRO Cn1nnc2c1C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)CC2 ZINC000905632022 659470677 /nfs/dbraw/zinc/47/06/77/659470677.db2.gz FMGHWXYSJHQJKQ-QWHCGFSZSA-N 1 0 399.264 1.604 20 0 GDADRO CCOC(=O)N1C[C@H]([NH2+]C[C@H](O)c2ccccc2Br)[C@@H](CO)C1 ZINC000905701103 659477227 /nfs/dbraw/zinc/47/72/27/659477227.db2.gz CASGDFBVWRAECC-UGFHNGPFSA-N 1 0 387.274 1.521 20 0 GDADRO Cc1nn(C)c(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1Br ZINC000905831104 659486037 /nfs/dbraw/zinc/48/60/37/659486037.db2.gz HZMZRFCFMXMJAD-OLZOCXBDSA-N 1 0 395.305 1.899 20 0 GDADRO CC[NH+]1CCN(c2ccc(NS(=O)(=O)N=[S@@](C)(=O)CC)c(C)c2)CC1 ZINC000906058287 659514997 /nfs/dbraw/zinc/51/49/97/659514997.db2.gz UGAAWSKSPWQJNU-DEOSSOPVSA-N 1 0 388.559 1.911 20 0 GDADRO Cn1cc(I)c(NC(=O)COC2CC[NH+](C)CC2)n1 ZINC000906069125 659516837 /nfs/dbraw/zinc/51/68/37/659516837.db2.gz BBJWHUDLQCJSMH-UHFFFAOYSA-N 1 0 378.214 1.074 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1I)[N@@H+]1CCC[C@@H](C)C1 ZINC000906169577 659523859 /nfs/dbraw/zinc/52/38/59/659523859.db2.gz VWJCANYRAIRFET-GHMZBOCLSA-N 1 0 390.269 1.875 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1nscc1I ZINC000906362921 659533771 /nfs/dbraw/zinc/53/37/71/659533771.db2.gz UULRGULTKMFIOH-QMMMGPOBSA-N 1 0 377.251 1.962 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC000906677219 659569062 /nfs/dbraw/zinc/56/90/62/659569062.db2.gz WRHPBQNBQWDKFP-ZDUSSCGKSA-N 1 0 389.543 1.563 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906702270 659573537 /nfs/dbraw/zinc/57/35/37/659573537.db2.gz WYCMXTLPVKNLJA-LLVKDONJSA-N 1 0 381.889 1.699 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)c1Br ZINC000906704160 659573563 /nfs/dbraw/zinc/57/35/63/659573563.db2.gz FSRWSNSRWHNOIT-NSHDSACASA-N 1 0 398.257 1.288 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000906705087 659574064 /nfs/dbraw/zinc/57/40/64/659574064.db2.gz FANVSXMBTOCZDS-ZDUSSCGKSA-N 1 0 384.274 1.901 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(C)c1Br ZINC000906749861 659581445 /nfs/dbraw/zinc/58/14/45/659581445.db2.gz ZQASQQUUCPNYEZ-GFCCVEGCSA-N 1 0 384.274 1.533 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cc1Br ZINC000906779381 659586063 /nfs/dbraw/zinc/58/60/63/659586063.db2.gz RECLZCHLAYWROV-QFYYESIMSA-N 1 0 382.258 1.655 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906780925 659586668 /nfs/dbraw/zinc/58/66/68/659586668.db2.gz GDDGGLRUULFEDE-GTNSWQLSSA-N 1 0 393.285 1.918 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000906782770 659587225 /nfs/dbraw/zinc/58/72/25/659587225.db2.gz RDDSUDXIBJRQRK-VIFPVBQESA-N 1 0 390.665 1.488 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)c2cn(C)nc2I)CC[N@@H+]1C ZINC000906790585 659588600 /nfs/dbraw/zinc/58/86/00/659588600.db2.gz KADOJBYLVFEEHE-NXEZZACHSA-N 1 0 376.242 1.579 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1 ZINC000907025945 659646320 /nfs/dbraw/zinc/64/63/20/659646320.db2.gz PZDRHCDRMIELKX-UHFFFAOYSA-N 1 0 385.921 1.521 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)oc1Cl ZINC000907074783 659660375 /nfs/dbraw/zinc/66/03/75/659660375.db2.gz BRDKHDSJINNEMF-VHSXEESVSA-N 1 0 382.891 1.386 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)oc1Cl ZINC000907186979 659694632 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C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000910668923 659978075 /nfs/dbraw/zinc/97/80/75/659978075.db2.gz AKBJMXIHTKHYMF-JHJVBQTASA-N 1 0 379.448 1.435 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCS[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC000910709876 659980697 /nfs/dbraw/zinc/98/06/97/659980697.db2.gz YWUCEOULUDOBEF-AGIUHOORSA-N 1 0 379.448 1.435 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCS[C@@H](C(F)(F)F)C3)C2)C1 ZINC000910845813 659985980 /nfs/dbraw/zinc/98/59/80/659985980.db2.gz SPKLUTLGALSANT-DOMZBBRYSA-N 1 0 379.448 1.437 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCSc2ccccc2)CC[C@H]1C(F)(F)F ZINC000910990828 659990241 /nfs/dbraw/zinc/99/02/41/659990241.db2.gz CWDYNKCHHPMPLR-CHWSQXEVSA-N 1 0 375.416 1.633 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000910998522 659990455 /nfs/dbraw/zinc/99/04/55/659990455.db2.gz CSNNLDFSWQKRAQ-GUYCJALGSA-N 1 0 380.286 1.795 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000911037972 659991697 /nfs/dbraw/zinc/99/16/97/659991697.db2.gz AAJUNEHPUGQKQL-LPEHRKFASA-N 1 0 378.420 1.782 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000911039526 659991831 /nfs/dbraw/zinc/99/18/31/659991831.db2.gz KOMOTXGDQRBHFZ-KOLCDFICSA-N 1 0 375.803 1.529 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000911043451 659992383 /nfs/dbraw/zinc/99/23/83/659992383.db2.gz SOIZKGKKCJNAOY-STQMWFEESA-N 1 0 382.302 1.817 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911078399 659993646 /nfs/dbraw/zinc/99/36/46/659993646.db2.gz CQNBQSKVVVSCNF-GUYCJALGSA-N 1 0 380.286 1.714 20 0 GDADRO O=C(NC[C@H]1CSCCS1)C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000911079690 659993675 /nfs/dbraw/zinc/99/36/75/659993675.db2.gz OELHPMCUWGSLPJ-ZBFHGGJFSA-N 1 0 385.599 1.580 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000911101531 659994399 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HCAMCHNWIIBTHL-GIPNMCIBSA-N 1 0 384.274 1.441 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000911254834 660000405 /nfs/dbraw/zinc/00/04/05/660000405.db2.gz IBOFYHXAWITSLG-UEKVPHQBSA-N 1 0 385.295 1.412 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911256489 660000582 /nfs/dbraw/zinc/00/05/82/660000582.db2.gz UIZDVIFNMRYGPE-YGRLFVJLSA-N 1 0 398.301 1.831 20 0 GDADRO [NH3+]CCc1ccc(CNC(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC000911282624 660001699 /nfs/dbraw/zinc/00/16/99/660001699.db2.gz VMRJQTPNKPDORT-CYBMUJFWSA-N 1 0 375.416 1.310 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000911282806 660001731 /nfs/dbraw/zinc/00/17/31/660001731.db2.gz BBRHTOMHOPYPEG-NSHDSACASA-N 1 0 384.274 1.190 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCc2ccc(Br)c(F)c2C1)C1CC1 ZINC000911298055 660002247 /nfs/dbraw/zinc/00/22/47/660002247.db2.gz OUDVSDZYSFEWJS-CYBMUJFWSA-N 1 0 384.249 1.326 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000911302146 660002379 /nfs/dbraw/zinc/00/23/79/660002379.db2.gz GIBHKSPCHYLEDZ-DOMZBBRYSA-N 1 0 394.313 1.899 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)CC[NH2+]1 ZINC000911302415 660002574 /nfs/dbraw/zinc/00/25/74/660002574.db2.gz ICEVTSNQSAJRRW-JQWIXIFHSA-N 1 0 398.276 1.730 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000911304385 660002708 /nfs/dbraw/zinc/00/27/08/660002708.db2.gz WBXIEYQHPQUGKD-SMDDNHRTSA-N 1 0 382.302 1.673 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC000911314136 660003374 /nfs/dbraw/zinc/00/33/74/660003374.db2.gz WZVRYVBXBNUFEG-ZJUUUORDSA-N 1 0 386.265 1.715 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C[NH2+]1 ZINC000911347869 660004424 /nfs/dbraw/zinc/00/44/24/660004424.db2.gz LTXJVBLRDXXOEC-UGFHNGPFSA-N 1 0 395.301 1.764 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000911349635 660004430 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Cc1ncc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2C)[nH]1 ZINC001571271416 945644441 /nfs/dbraw/zinc/64/44/41/945644441.db2.gz CBHYKYAYBKQAMK-ZYHUDNBSSA-N 1 0 386.485 1.458 20 0 GDADRO Cc1ncsc1CC[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571271558 945645161 /nfs/dbraw/zinc/64/51/61/945645161.db2.gz DKKXVKQCBSKBBV-CYBMUJFWSA-N 1 0 386.485 1.397 20 0 GDADRO C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC[NH+](Cc2ccns2)CC1 ZINC001571271625 945645884 /nfs/dbraw/zinc/64/58/84/945645884.db2.gz FYBHOUGWHJQXQD-NSHDSACASA-N 1 0 386.485 1.682 20 0 GDADRO O=C(Cc1cnc[nH]1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271759 945649819 /nfs/dbraw/zinc/64/98/19/945649819.db2.gz IWSNKWAYHCBPRD-ZDUSSCGKSA-N 1 0 386.485 1.365 20 0 GDADRO Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H](C)C2)s1 ZINC001571271847 945651874 /nfs/dbraw/zinc/65/18/74/945651874.db2.gz KXIPZMRJJNURGR-ZWNOBZJWSA-N 1 0 386.485 1.743 20 0 GDADRO Cc1cc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[nH]n1 ZINC001571272119 945655831 /nfs/dbraw/zinc/65/58/31/945655831.db2.gz PWTFHXGSLOVJTK-LBPRGKRZSA-N 1 0 386.485 1.744 20 0 GDADRO Cc1nc(CC[NH+]2CC([C@@H](C)NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cs1 ZINC001571272098 945656743 /nfs/dbraw/zinc/65/67/43/945656743.db2.gz PEXQBBRQPKQMFC-SNVBAGLBSA-N 1 0 386.485 1.253 20 0 GDADRO CCn1cc(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001571272341 945659466 /nfs/dbraw/zinc/65/94/66/945659466.db2.gz SDWNETDAPUVORZ-ZDUSSCGKSA-N 1 0 386.485 1.078 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821268433 945661868 /nfs/dbraw/zinc/66/18/68/945661868.db2.gz WUWHFUGHOJPKCV-CYBMUJFWSA-N 1 0 377.880 1.875 20 0 GDADRO Cc1cc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](C)C2)sn1 ZINC001571272482 945663890 /nfs/dbraw/zinc/66/38/90/945663890.db2.gz UIVWKAMWRSNILY-AAEUAGOBSA-N 1 0 386.485 1.743 20 0 GDADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C(C)(C)C ZINC001571272618 945667432 /nfs/dbraw/zinc/66/74/32/945667432.db2.gz XMHDCGPKMXQOKZ-PBHICJAKSA-N 1 0 386.500 1.866 20 0 GDADRO O=C(Nc1ccnc(-c2nn[nH]n2)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001571273054 945677837 /nfs/dbraw/zinc/67/78/37/945677837.db2.gz NYWPYIBXSPBQMW-HZPDHXFCSA-N 1 0 386.460 1.151 20 0 GDADRO COc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)on1 ZINC001571274682 945699027 /nfs/dbraw/zinc/69/90/27/945699027.db2.gz JYEBSLDNFMMBQL-LLVKDONJSA-N 1 0 387.375 1.007 20 0 GDADRO COc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)co1 ZINC001571274817 945700417 /nfs/dbraw/zinc/70/04/17/945700417.db2.gz LQZXBSXDLVYMAV-XYPYZODXSA-N 1 0 387.375 1.053 20 0 GDADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000821635039 945763330 /nfs/dbraw/zinc/76/33/30/945763330.db2.gz IVTRBOBWXADWMS-SFHVURJKSA-N 1 0 375.436 1.795 20 0 GDADRO O=C(c1ccns1)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282934 945870791 /nfs/dbraw/zinc/87/07/91/945870791.db2.gz WBXGMTYOYWSAFG-CYBMUJFWSA-N 1 0 387.444 1.857 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1CCC[C@H]1CCOC1 ZINC001571285176 945910705 /nfs/dbraw/zinc/91/07/05/945910705.db2.gz YZGODTRSHYRXQC-GRDNDAEWSA-N 1 0 387.488 1.594 20 0 GDADRO O=C(c1cc(C(F)F)n[nH]1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571285455 945918201 /nfs/dbraw/zinc/91/82/01/945918201.db2.gz FCXAVOOLMMOBNY-NSHDSACASA-N 1 0 388.382 1.532 20 0 GDADRO CC[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)O1 ZINC001571287393 945971051 /nfs/dbraw/zinc/97/10/51/945971051.db2.gz CRHJWBLXNTXMKS-VMUDFCTBSA-N 1 0 388.447 1.700 20 0 GDADRO C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287426 945972676 /nfs/dbraw/zinc/97/26/76/945972676.db2.gz DJLQWDRUMWASGL-CYUUQNCZSA-N 1 0 388.447 1.415 20 0 GDADRO O=C(CC1CCOCC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571287862 945981273 /nfs/dbraw/zinc/98/12/73/945981273.db2.gz JRCMJEXOIRUPAH-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO CN(C(=O)C[C@H]1CCOC1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571288897 945993135 /nfs/dbraw/zinc/99/31/35/945993135.db2.gz UEGTYSOOXVSVNC-UWTIGNOOSA-N 1 0 388.447 1.511 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571288892 945994004 /nfs/dbraw/zinc/99/40/04/945994004.db2.gz UDGVOFSBWBIAPM-BEFAXECRSA-N 1 0 388.447 1.276 20 0 GDADRO O=C([C@@H]1CCCOC1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571289210 945999083 /nfs/dbraw/zinc/99/90/83/945999083.db2.gz XIVZHZXVRGFADY-CABCVRRESA-N 1 0 388.447 1.513 20 0 GDADRO C[NH+](C)C1(C(=O)N2CCC[C@@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)CCC1 ZINC001571289400 946005205 /nfs/dbraw/zinc/00/52/05/946005205.db2.gz BUVRXEKHXKOESY-CYBMUJFWSA-N 1 0 388.451 1.288 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)[C@@H]1CCCO1 ZINC001571289599 946012286 /nfs/dbraw/zinc/01/22/86/946012286.db2.gz IMSWWMODRGSMRT-TZHJVIJJSA-N 1 0 388.497 1.290 20 0 GDADRO Cc1occc1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289691 946014420 /nfs/dbraw/zinc/01/44/20/946014420.db2.gz KJKGNJSRFNHMBU-LBPRGKRZSA-N 1 0 388.453 1.460 20 0 GDADRO CO[C@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2)C1CC1 ZINC001571289731 946016065 /nfs/dbraw/zinc/01/60/65/946016065.db2.gz LINGDARFEQSHFO-HNNXBMFYSA-N 1 0 388.497 1.388 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1Cc2ccccc2C1 ZINC001571290226 946034311 /nfs/dbraw/zinc/03/43/11/946034311.db2.gz YBTDDRQNUXVXIH-HXUWFJFHSA-N 1 0 388.475 1.972 20 0 GDADRO COc1nc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571293655 946110990 /nfs/dbraw/zinc/11/09/90/946110990.db2.gz OIJFXZPOJBYRJW-JTQLQIEISA-N 1 0 389.441 1.319 20 0 GDADRO O=C(Cc1ccccc1)N[C@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001571294114 946125651 /nfs/dbraw/zinc/12/56/51/946125651.db2.gz AXRZZNMDXSAHCK-SFHVURJKSA-N 1 0 389.463 1.980 20 0 GDADRO CC(=O)N[C@H](C)C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)CC(C)C ZINC001573478741 946150975 /nfs/dbraw/zinc/15/09/75/946150975.db2.gz YCBXMOLBPICXLM-DYVFJYSZSA-N 1 0 387.488 1.012 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C1 ZINC001571298519 946218270 /nfs/dbraw/zinc/21/82/70/946218270.db2.gz ABUJFRNBHBHFCI-CHWSQXEVSA-N 1 0 390.517 1.201 20 0 GDADRO O=C(c1cncnc1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571298831 946229839 /nfs/dbraw/zinc/22/98/39/946229839.db2.gz RGWABFVDUNELBB-MSOLQXFVSA-N 1 0 390.451 1.536 20 0 GDADRO Cc1nsc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1-c1nn[nH]n1 ZINC001571299685 946258398 /nfs/dbraw/zinc/25/83/98/946258398.db2.gz ONQMXJRSERFUJH-JHJVBQTASA-N 1 0 390.517 1.057 20 0 GDADRO CO[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001571299924 946266666 /nfs/dbraw/zinc/26/66/66/946266666.db2.gz RFOQEFGQRFVJQZ-CZUORRHYSA-N 1 0 390.513 1.824 20 0 GDADRO O=C(c1cnns1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571300128 946271730 /nfs/dbraw/zinc/27/17/30/946271730.db2.gz VOHFFNAMNXXHOK-SNVBAGLBSA-N 1 0 390.498 1.422 20 0 GDADRO Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1-c1nn[nH]n1 ZINC001571300253 946278384 /nfs/dbraw/zinc/27/83/84/946278384.db2.gz XWUMFLUXHSSTAU-OLZOCXBDSA-N 1 0 390.517 1.376 20 0 GDADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000823078153 946306124 /nfs/dbraw/zinc/30/61/24/946306124.db2.gz GPRAWICJIYZNJO-NRFANRHFSA-N 1 0 392.463 1.162 20 0 GDADRO O=C(c1cc2c([nH]1)CCC2)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571305841 946378723 /nfs/dbraw/zinc/37/87/23/946378723.db2.gz LOXKPHNVYGHGIS-AWEZNQCLSA-N 1 0 391.479 1.935 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571306337 946398672 /nfs/dbraw/zinc/39/86/72/946398672.db2.gz SUGHMGAHKKFHTL-RDTXWAMCSA-N 1 0 391.479 1.804 20 0 GDADRO Cn1cccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC[C@@H]2C1 ZINC001571306573 946405585 /nfs/dbraw/zinc/40/55/85/946405585.db2.gz XUIMUFNVNLWFLN-WBVHZDCISA-N 1 0 391.479 1.799 20 0 GDADRO CN(C)c1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)ccn1 ZINC001571312723 946500698 /nfs/dbraw/zinc/50/06/98/946500698.db2.gz BVOMSNDFELJMNP-KRWDZBQOSA-N 1 0 392.467 1.332 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571313183 946513270 /nfs/dbraw/zinc/51/32/70/946513270.db2.gz JJKQPQLRKIEKNA-YWZLYKJASA-N 1 0 392.467 1.683 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccncn2)[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571313819 946532159 /nfs/dbraw/zinc/53/21/59/946532159.db2.gz WTDDZZYOKSGXMI-PBHICJAKSA-N 1 0 392.467 1.687 20 0 GDADRO Cc1cc(N[C@@H]2CCC[C@H]3CN(C(=O)c4cc[nH]c4)C[C@@H]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314734 946541700 /nfs/dbraw/zinc/54/17/00/946541700.db2.gz BSDXTAZQTNBWFW-BHYGNILZSA-N 1 0 392.467 1.673 20 0 GDADRO Cc1cc(N[C@H]2C[C@H](C)N(C(=O)c3ccc(C)c(C)n3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314900 946544114 /nfs/dbraw/zinc/54/41/14/946544114.db2.gz DABSOOCBOSEOSG-ZFWWWQNUSA-N 1 0 392.467 1.719 20 0 GDADRO Cc1cc(NC[C@@H]2CCN(C(=O)CCc3ccncc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314971 946548530 /nfs/dbraw/zinc/54/85/30/946548530.db2.gz FTRIHNXQSQSQIJ-INIZCTEOSA-N 1 0 392.467 1.280 20 0 GDADRO O=C(Cc1c[nH]cn1)N[C@]12CCC[C@@H]1[N@H+](Cc1ccccc1-c1nn[nH]n1)CC2 ZINC001571316397 946575914 /nfs/dbraw/zinc/57/59/14/946575914.db2.gz BJIKKLGFUZCLHV-PXNSSMCTSA-N 1 0 392.467 1.446 20 0 GDADRO Cn1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ccc(-c4nn[nH]n4)cc2)C3)n1 ZINC001571316518 946579809 /nfs/dbraw/zinc/57/98/09/946579809.db2.gz FJHHUXZFDYHDCL-JXFKEZNVSA-N 1 0 392.467 1.385 20 0 GDADRO Cc1cnc(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571316548 946579931 /nfs/dbraw/zinc/57/99/31/946579931.db2.gz FZIXJMJSELNGCF-MRXNPFEDSA-N 1 0 392.467 1.607 20 0 GDADRO Cc1ncncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC001571316679 946584921 /nfs/dbraw/zinc/58/49/21/946584921.db2.gz JPNGDLFELGDZKC-DYVFJYSZSA-N 1 0 392.467 1.748 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn2c1CCC2 ZINC001571316697 946585488 /nfs/dbraw/zinc/58/54/88/946585488.db2.gz KDIKSMGMJROFGA-KOMQPUFPSA-N 1 0 392.467 1.308 20 0 GDADRO Cn1cnc(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2cccc(-c4nn[nH]n4)c2)CC3)c1 ZINC001571316764 946587654 /nfs/dbraw/zinc/58/76/54/946587654.db2.gz MCPOMOSPPKPZEP-XLIONFOSSA-N 1 0 392.467 1.527 20 0 GDADRO Cc1nc(C)c(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@@H]3C2)[nH]1 ZINC001571316975 946594592 /nfs/dbraw/zinc/59/45/92/946594592.db2.gz RBKCNBQMYJCSDG-CALCHBBNSA-N 1 0 392.467 1.411 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571317205 946603496 /nfs/dbraw/zinc/60/34/96/946603496.db2.gz XXUUXQIMCWSNKI-VNQPRFMTSA-N 1 0 392.467 1.620 20 0 GDADRO C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571317475 946612046 /nfs/dbraw/zinc/61/20/46/946612046.db2.gz JGCMIDDRQLKRCW-OLZOCXBDSA-N 1 0 392.529 1.663 20 0 GDADRO Brc1ccc(-c2nn[nH]n2)c(N2CC(C[NH+]3CCOCC3)C2)c1 ZINC001573279070 946630455 /nfs/dbraw/zinc/63/04/55/946630455.db2.gz DQLBGBLXKBHMIA-UHFFFAOYSA-N 1 0 379.262 1.398 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573527524 946643669 /nfs/dbraw/zinc/64/36/69/946643669.db2.gz BMLVNZZOQPXRSZ-CYBMUJFWSA-N 1 0 387.488 1.013 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000824563845 946800941 /nfs/dbraw/zinc/80/09/41/946800941.db2.gz QRAZZEKNXILKIV-CFJPQMKISA-N 1 0 398.492 1.571 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824571346 946812150 /nfs/dbraw/zinc/81/21/50/946812150.db2.gz QBVAWNLPRQZAAU-SMDDNHRTSA-N 1 0 393.494 1.414 20 0 GDADRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824899464 946980989 /nfs/dbraw/zinc/98/09/89/946980989.db2.gz KCDRVSJZKLGVSD-MDASCCDHSA-N 1 0 395.511 1.430 20 0 GDADRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824974728 947014970 /nfs/dbraw/zinc/01/49/70/947014970.db2.gz DZBMSMXRUSTAFF-MGPUTAFESA-N 1 0 381.528 1.903 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825121540 947088458 /nfs/dbraw/zinc/08/84/58/947088458.db2.gz SOHDGJYMIUJKIC-SFHVURJKSA-N 1 0 396.499 1.156 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573585620 947263351 /nfs/dbraw/zinc/26/33/51/947263351.db2.gz HGVDQVLFAXHHDL-STQMWFEESA-N 1 0 383.431 1.885 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573585869 947270718 /nfs/dbraw/zinc/27/07/18/947270718.db2.gz JADHCCHPSQFFGO-RYUDHWBXSA-N 1 0 388.501 1.402 20 0 GDADRO CCc1nnc([C@H](C)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]1 ZINC000825744405 947313387 /nfs/dbraw/zinc/31/33/87/947313387.db2.gz AAPVAYKCJWVWDQ-ZDUSSCGKSA-N 1 0 381.488 1.862 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)ccc1=O ZINC000825870440 947352191 /nfs/dbraw/zinc/35/21/91/947352191.db2.gz MORGBYNDCRDFKI-CLFYSBASSA-N 1 0 379.424 1.242 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(F)F ZINC001573594877 947410512 /nfs/dbraw/zinc/41/05/12/947410512.db2.gz DDZUCRNNCNSCHP-SMDDNHRTSA-N 1 0 382.415 1.067 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573595065 947415104 /nfs/dbraw/zinc/41/51/04/947415104.db2.gz FKUDTIXDCLSUJO-IUODEOHRSA-N 1 0 390.463 1.351 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sccc2COC)c1-c1nn[nH]n1 ZINC000826084024 947424568 /nfs/dbraw/zinc/42/45/68/947424568.db2.gz UEMUBVXNRLQYLZ-UHFFFAOYSA-N 1 0 376.446 1.202 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573598295 947441779 /nfs/dbraw/zinc/44/17/79/947441779.db2.gz PQYAMLAVEGFATN-YOEHRIQHSA-N 1 0 380.456 1.357 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCC1 ZINC001573598859 947447588 /nfs/dbraw/zinc/44/75/88/947447588.db2.gz SOGBBFBHOIYPFU-LRDDRELGSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573599019 947449544 /nfs/dbraw/zinc/44/95/44/947449544.db2.gz UGGDDLJPFVZUCI-WFASDCNBSA-N 1 0 390.463 1.351 20 0 GDADRO COC1CCN(CC[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826147497 947475068 /nfs/dbraw/zinc/47/50/68/947475068.db2.gz ZFHVNFGPBVVFNA-UHFFFAOYSA-N 1 0 399.543 1.532 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccc1 ZINC001573604431 947510554 /nfs/dbraw/zinc/51/05/54/947510554.db2.gz TWZLFAJACHQUOR-AWEZNQCLSA-N 1 0 385.447 1.959 20 0 GDADRO COc1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1-c1nn[nH]n1 ZINC000826195491 947593989 /nfs/dbraw/zinc/59/39/89/947593989.db2.gz WEWSZLHRJBABAZ-JWTNVVGKSA-N 1 0 397.527 1.618 20 0 GDADRO COc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1-c1nn[nH]n1 ZINC000826198125 947596209 /nfs/dbraw/zinc/59/62/09/947596209.db2.gz NAYMOARKXYFCMQ-ZBFHGGJFSA-N 1 0 385.472 1.501 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccc1 ZINC001573617807 947641315 /nfs/dbraw/zinc/64/13/15/947641315.db2.gz NCEBWQHCSHNRPG-CZUORRHYSA-N 1 0 383.431 1.759 20 0 GDADRO C/C(=C/C(=O)NC[C@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573363327 947711710 /nfs/dbraw/zinc/71/17/10/947711710.db2.gz NJGDLBNGGFVHOE-KRBJHKROSA-N 1 0 382.468 1.276 20 0 GDADRO C/C(=C/C(=O)N1CC[C@](C)(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001573364968 947728311 /nfs/dbraw/zinc/72/83/11/947728311.db2.gz RZQITYKDQDQBRZ-LOJRPPCJSA-N 1 0 381.484 1.999 20 0 GDADRO CC(=O)CCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001573367577 947761505 /nfs/dbraw/zinc/76/15/05/947761505.db2.gz FHTBWUSTHITHBB-UHFFFAOYSA-N 1 0 382.468 1.660 20 0 GDADRO C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(C)(F)F ZINC001573629010 947769530 /nfs/dbraw/zinc/76/95/30/947769530.db2.gz QDRXXTNZZGYFFV-NEPJUHHUSA-N 1 0 379.415 1.980 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573369912 947780071 /nfs/dbraw/zinc/78/00/71/947780071.db2.gz ZJALIOMTBQYZBV-YVEFUNNKSA-N 1 0 388.447 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573369909 947780291 /nfs/dbraw/zinc/78/02/91/947780291.db2.gz ZJALIOMTBQYZBV-PXAZEXFGSA-N 1 0 388.447 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1CCCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573372935 947787225 /nfs/dbraw/zinc/78/72/25/947787225.db2.gz GDDDJYFDIUZAFG-HNNXBMFYSA-N 1 0 385.472 1.544 20 0 GDADRO CC(=O)CCCC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCCC1 ZINC001573373507 947794154 /nfs/dbraw/zinc/79/41/54/947794154.db2.gz CWJWPIMUWREWIN-UHFFFAOYSA-N 1 0 385.472 1.674 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001573374094 947803748 /nfs/dbraw/zinc/80/37/48/947803748.db2.gz MLMIUXGWFGJUCT-UKRRQHHQSA-N 1 0 385.472 1.339 20 0 GDADRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cccn1 ZINC001573637664 947819437 /nfs/dbraw/zinc/81/94/37/947819437.db2.gz MPOLHMQNVNKXEA-OAHLLOKOSA-N 1 0 380.456 1.359 20 0 GDADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573637705 947821402 /nfs/dbraw/zinc/82/14/02/947821402.db2.gz NWCHRMUXRZTMNC-HNNXBMFYSA-N 1 0 380.456 1.359 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001573378256 947854122 /nfs/dbraw/zinc/85/41/22/947854122.db2.gz XCIHPSQSGKZJEO-HDICACEKSA-N 1 0 382.468 1.516 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001573381974 947881940 /nfs/dbraw/zinc/88/19/40/947881940.db2.gz AVFHVJCIQLDVST-RDTXWAMCSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](C(=O)N1CCc2c(sc(N)c2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573647075 947883269 /nfs/dbraw/zinc/88/32/69/947883269.db2.gz BMKYCVAFYCNWKM-LLVKDONJSA-N 1 0 375.502 1.660 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)c1ccco1 ZINC001573647449 947894827 /nfs/dbraw/zinc/89/48/27/947894827.db2.gz LIHLLLVPZQZOES-MELADBBJSA-N 1 0 379.424 1.553 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)c1ccco1 ZINC001573648296 947905880 /nfs/dbraw/zinc/90/58/80/947905880.db2.gz YJZIDQWPTMFCDA-HZSPNIEDSA-N 1 0 381.440 1.587 20 0 GDADRO C[C@@H](C(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001573663745 948041476 /nfs/dbraw/zinc/04/14/76/948041476.db2.gz PGPLUCRJLXYGIU-VLIAUNLRSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)NC1CC2(C1)CC(Nc1cc[nH+]cc1-c1nn[nH]n1)C2)n1cccc1 ZINC001573664210 948052046 /nfs/dbraw/zinc/05/20/46/948052046.db2.gz CXXNSAGXEQQISS-HIXHZGSFSA-N 1 0 392.467 1.586 20 0 GDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CCCO1 ZINC001573672083 948107511 /nfs/dbraw/zinc/10/75/11/948107511.db2.gz GIBVHTJNEQARDJ-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO Cn1cc([C@H]2CC[N@H+](Cc3cn(C)nc3-c3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC000826359314 948115520 /nfs/dbraw/zinc/11/55/20/948115520.db2.gz CCLOVDMLGCWICN-INIZCTEOSA-N 1 0 389.467 1.990 20 0 GDADRO Cn1cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360619 948122497 /nfs/dbraw/zinc/12/24/97/948122497.db2.gz RGUNWDZVCYOEHR-CYBMUJFWSA-N 1 0 380.456 1.355 20 0 GDADRO C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccn1 ZINC001573679029 948158870 /nfs/dbraw/zinc/15/88/70/948158870.db2.gz HQCDSPNKJOCHPS-BXUZGUMPSA-N 1 0 386.485 1.370 20 0 GDADRO CC(=O)N1C[C@@H](C)OC2(CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)CC2)C1 ZINC001573427399 948165596 /nfs/dbraw/zinc/16/55/96/948165596.db2.gz XVSHEBVPBWFPQQ-CYBMUJFWSA-N 1 0 388.447 1.608 20 0 GDADRO O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000826397766 948211718 /nfs/dbraw/zinc/21/17/18/948211718.db2.gz KIYGUZFXEPNETA-IBGZPJMESA-N 1 0 392.463 1.635 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccsc1 ZINC001573681907 948216909 /nfs/dbraw/zinc/21/69/09/948216909.db2.gz YSBPBCIZORNYHL-ZYHUDNBSSA-N 1 0 392.510 1.360 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC1)[C@H]1CCCO1 ZINC001573692150 948256618 /nfs/dbraw/zinc/25/66/18/948256618.db2.gz MLBPPWDGULAESX-WMLDXEAASA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)C(F)(F)F ZINC001573692574 948267906 /nfs/dbraw/zinc/26/79/06/948267906.db2.gz QSNDPHIACNPZLE-SECBINFHSA-N 1 0 386.353 1.943 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC001573692543 948268220 /nfs/dbraw/zinc/26/82/20/948268220.db2.gz PRHFZYLGLUROGP-SWLSCSKDSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCC1)n1cccn1 ZINC001573692900 948274115 /nfs/dbraw/zinc/27/41/15/948274115.db2.gz SYJHIGDMHRQUMV-LBPRGKRZSA-N 1 0 386.485 1.514 20 0 GDADRO C[C@@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)c1cccnc1 ZINC001573693677 948285195 /nfs/dbraw/zinc/28/51/95/948285195.db2.gz XQAGORDLTJEIDJ-CYBMUJFWSA-N 1 0 378.440 1.333 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccc1 ZINC001573695326 948304219 /nfs/dbraw/zinc/30/42/19/948304219.db2.gz GLVKKSYGRJANRU-UDTPNQRGSA-N 1 0 391.479 1.723 20 0 GDADRO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001573696174 948318889 /nfs/dbraw/zinc/31/88/89/948318889.db2.gz LSGQSGGBGQRJPB-VLIAUNLRSA-N 1 0 384.484 1.356 20 0 GDADRO O=C1[C@H]([NH+]2CCC(c3cc[nH]n3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476523 948380798 /nfs/dbraw/zinc/38/07/98/948380798.db2.gz JMEWMUXNEIBZAD-GOSISDBHSA-N 1 0 392.467 1.965 20 0 GDADRO O=C1[C@@H]([NH+]2CCC(c3cc[nH]n3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476524 948381728 /nfs/dbraw/zinc/38/17/28/948381728.db2.gz JMEWMUXNEIBZAD-SFHVURJKSA-N 1 0 392.467 1.965 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@H](n3ccnc3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476420 948382395 /nfs/dbraw/zinc/38/23/95/948382395.db2.gz HJSKMMVJTSJZOS-ZWKOTPCHSA-N 1 0 392.467 1.896 20 0 GDADRO O=C1[C@@H](N2CCC[C@@H]([NH+]3CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476834 948386217 /nfs/dbraw/zinc/38/62/17/948386217.db2.gz QBKNQXNHDWJCSI-MOPGFXCFSA-N 1 0 395.511 1.922 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+]CCN2CCSCC2)CC1 ZINC000826514420 948440557 /nfs/dbraw/zinc/44/05/57/948440557.db2.gz QSZCWOHMCZRGQK-UHFFFAOYSA-N 1 0 387.557 1.470 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573714019 948468531 /nfs/dbraw/zinc/46/85/31/948468531.db2.gz CQLSQMZAFMMJOT-MLGOLLRUSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573715284 948488413 /nfs/dbraw/zinc/48/84/13/948488413.db2.gz SNCGULSKHZNSLC-MNOVXSKESA-N 1 0 383.378 1.793 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccn1 ZINC001573719668 948526364 /nfs/dbraw/zinc/52/63/64/948526364.db2.gz MPLGDIOHXIQTRO-LBPRGKRZSA-N 1 0 386.485 1.467 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573736505 948615621 /nfs/dbraw/zinc/61/56/21/948615621.db2.gz YWAOFNJDIABUKE-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](C)c1cnn(C)c1 ZINC001573740452 948634109 /nfs/dbraw/zinc/63/41/09/948634109.db2.gz PMDHABJSPTYSMK-VXGBXAGGSA-N 1 0 386.435 1.137 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccc(F)c1 ZINC001573745141 948669008 /nfs/dbraw/zinc/66/90/08/948669008.db2.gz AYUMAMRVLYQREV-TUKIKUTGSA-N 1 0 381.415 1.686 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@@H]1CCCO1 ZINC001573746445 948682308 /nfs/dbraw/zinc/68/23/08/948682308.db2.gz JZWUXWQSKCNGRV-LCSDZXHASA-N 1 0 388.447 1.558 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccn1 ZINC001573748840 948697595 /nfs/dbraw/zinc/69/75/95/948697595.db2.gz VOMDCQFKQJDIEK-DFBGVHRSSA-N 1 0 384.419 1.200 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001573752661 948716256 /nfs/dbraw/zinc/71/62/56/948716256.db2.gz PPLMRSAWLGOVLM-BNGXUDDSSA-N 1 0 388.447 1.558 20 0 GDADRO CC(C)c1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1 ZINC001574417057 948763960 /nfs/dbraw/zinc/76/39/60/948763960.db2.gz KITGFTJMIOLXSF-HNNXBMFYSA-N 1 0 383.456 1.199 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001575223923 948773878 /nfs/dbraw/zinc/77/38/78/948773878.db2.gz PLUWNXBZERZLTB-CYBMUJFWSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574916554 948780592 /nfs/dbraw/zinc/78/05/92/948780592.db2.gz DHCXPUWFQPRHNM-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)c1ccccc1C(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574419957 948789822 /nfs/dbraw/zinc/78/98/22/948789822.db2.gz LYSQMRWXANWSGV-ZDUSSCGKSA-N 1 0 381.440 1.010 20 0 GDADRO C[C@H](CNC(=O)CCCn1cccc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574917785 948827616 /nfs/dbraw/zinc/82/76/16/948827616.db2.gz BIWWJIUWYLPLNA-CQSZACIVSA-N 1 0 385.447 1.882 20 0 GDADRO C[C@H](CNC(=O)CCCn1ccnc1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574918129 948837554 /nfs/dbraw/zinc/83/75/54/948837554.db2.gz GBUWIANBSQXREY-OAHLLOKOSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@@H](CCNc1nc(Cl)c(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574684055 948856937 /nfs/dbraw/zinc/85/69/37/948856937.db2.gz APTZRHBIPSADLT-DTWKUNHWSA-N 1 0 384.897 1.235 20 0 GDADRO C[C@H](CNC(=O)CCCn1cccn1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574919030 948870298 /nfs/dbraw/zinc/87/02/98/948870298.db2.gz UPJLCNGWINNCHF-OAHLLOKOSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574684778 948886396 /nfs/dbraw/zinc/88/63/96/948886396.db2.gz MOFZPRNNIYZBBV-RISCZKNCSA-N 1 0 376.440 1.192 20 0 GDADRO C[C@@H](CNC(=O)CCc1nccs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920265 948894586 /nfs/dbraw/zinc/89/45/86/948894586.db2.gz HCOIMVGKEXAGAT-NSHDSACASA-N 1 0 391.526 1.954 20 0 GDADRO C[C@H](CNC(=O)CCc1nccn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920479 948901389 /nfs/dbraw/zinc/90/13/89/948901389.db2.gz MCWQBKQGOYGSAT-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920480 948907038 /nfs/dbraw/zinc/90/70/38/948907038.db2.gz MFJPHWAMOCGOAH-JTQLQIEISA-N 1 0 377.499 1.612 20 0 GDADRO C[C@H](CNC(=O)CCc1nccs1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920672 948911374 /nfs/dbraw/zinc/91/13/74/948911374.db2.gz NZJFTWOGMCPKOV-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@H](CNC(=O)CCc1cncnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574920945 948914297 /nfs/dbraw/zinc/91/42/97/948914297.db2.gz ROQJVEMAEZYZCA-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@@H](CNC(=O)CCn1ccnc1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574923508 948951693 /nfs/dbraw/zinc/95/16/93/948951693.db2.gz ONIPHOISODZCTO-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001574688847 948973657 /nfs/dbraw/zinc/97/36/57/948973657.db2.gz AICWVLLLGQSLPU-KBPBESRZSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@@H](CNC(=O)CN(C)c1ccccc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574925470 948973731 /nfs/dbraw/zinc/97/37/31/948973731.db2.gz AHMOWQCUCRMCOP-HNNXBMFYSA-N 1 0 379.468 1.597 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574925989 948980232 /nfs/dbraw/zinc/98/02/32/948980232.db2.gz FVJQAYFECQAZSE-ZDUSSCGKSA-N 1 0 389.479 1.427 20 0 GDADRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC001573773286 948980244 /nfs/dbraw/zinc/98/02/44/948980244.db2.gz JKDYLNYWSTUGIH-LBPRGKRZSA-N 1 0 386.378 1.022 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573774470 949009177 /nfs/dbraw/zinc/00/91/77/949009177.db2.gz SCOPDCPOZWPWDZ-CYBMUJFWSA-N 1 0 376.436 1.009 20 0 GDADRO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C1CC1 ZINC001573774493 949010025 /nfs/dbraw/zinc/01/00/25/949010025.db2.gz SNFDKNVAKAXEFR-IRXDYDNUSA-N 1 0 384.484 1.354 20 0 GDADRO CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001574091391 949013903 /nfs/dbraw/zinc/01/39/03/949013903.db2.gz KWLMXINYZJMGKV-KBPBESRZSA-N 1 0 385.472 1.053 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCC1 ZINC001573774609 949019114 /nfs/dbraw/zinc/01/91/14/949019114.db2.gz OZPJFAWGXKHDMY-HNNXBMFYSA-N 1 0 390.463 1.399 20 0 GDADRO CC(C)[N@@H+](C)CC(=O)NC[C@H](C)CNc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574926783 949021188 /nfs/dbraw/zinc/02/11/88/949021188.db2.gz XJXIUGIWYRNYJZ-VIFPVBQESA-N 1 0 386.913 1.481 20 0 GDADRO CC(C)(C(=O)NC1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[NH+]1CCCC1 ZINC001573774784 949023977 /nfs/dbraw/zinc/02/39/77/949023977.db2.gz VVKFTUNIJFEJQE-UHFFFAOYSA-N 1 0 387.463 1.181 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574692648 949034627 /nfs/dbraw/zinc/03/46/27/949034627.db2.gz ABQBEFIALNPWNN-CYBMUJFWSA-N 1 0 387.488 1.395 20 0 GDADRO CC(C)c1nocc1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001574441616 949066461 /nfs/dbraw/zinc/06/64/61/949066461.db2.gz PFCOEELNAXMPJC-ATCWAGBWSA-N 1 0 380.412 1.238 20 0 GDADRO C[C@@H](CNC(=O)COCc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574931442 949118329 /nfs/dbraw/zinc/11/83/29/949118329.db2.gz PGCVKNBHHUWZBR-LBPRGKRZSA-N 1 0 387.469 1.134 20 0 GDADRO CC(C)c1occc1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001574446055 949119396 /nfs/dbraw/zinc/11/93/96/949119396.db2.gz HAONUZJXGQXJSZ-FOLVSLTJSA-N 1 0 379.424 1.843 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574446595 949132774 /nfs/dbraw/zinc/13/27/74/949132774.db2.gz SEXUCZWUYDYRSV-OAHLLOKOSA-N 1 0 384.440 1.464 20 0 GDADRO CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001573783223 949146950 /nfs/dbraw/zinc/14/69/50/949146950.db2.gz ZLWXASKHIYUVSD-CTYIDZIISA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](CNC(=O)COc1cccnc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574934433 949160719 /nfs/dbraw/zinc/16/07/19/949160719.db2.gz IDHWSUODIATZTJ-LBPRGKRZSA-N 1 0 385.403 1.074 20 0 GDADRO CC(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574098730 949165507 /nfs/dbraw/zinc/16/55/07/949165507.db2.gz DRYGXNOCAWTKAC-CQSZACIVSA-N 1 0 378.452 1.303 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)C2CCC(O)CC2)CC1 ZINC001575853261 949211187 /nfs/dbraw/zinc/21/11/87/949211187.db2.gz MVBSYTIVUZKGIV-UHFFFAOYSA-N 1 0 385.472 1.028 20 0 GDADRO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575516985 949219790 /nfs/dbraw/zinc/21/97/90/949219790.db2.gz SIOCVZLUDJHGQS-OLZOCXBDSA-N 1 0 381.444 1.330 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@H]([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573791555 949222381 /nfs/dbraw/zinc/22/23/81/949222381.db2.gz BWINBJDSZSHUFV-ZDUSSCGKSA-N 1 0 392.529 1.760 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575255321 949226407 /nfs/dbraw/zinc/22/64/07/949226407.db2.gz ZEIJDOZPUXBWJV-ZIAGYGMSSA-N 1 0 386.504 1.831 20 0 GDADRO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575517214 949228967 /nfs/dbraw/zinc/22/89/67/949228967.db2.gz UTTHAPVTPAGYMZ-JSGCOSHPSA-N 1 0 381.444 1.330 20 0 GDADRO C[C@@H](Nc1ncccc1-c1nn[nH]n1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575255949 949241520 /nfs/dbraw/zinc/24/15/20/949241520.db2.gz SOJQQGKRBIVKDX-KGLIPLIRSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(F)CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574701519 949263748 /nfs/dbraw/zinc/26/37/48/949263748.db2.gz BIVWSVXIRLTLMF-DIFFPNOSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(F)CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574702456 949284487 /nfs/dbraw/zinc/28/44/87/949284487.db2.gz JHEDAAWSSCDLFD-ZDUSSCGKSA-N 1 0 376.436 1.322 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCC1(F)F)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575258048 949287127 /nfs/dbraw/zinc/28/71/27/949287127.db2.gz DGOBXWWXNMNGMD-XHDPSFHLSA-N 1 0 376.411 1.849 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001574454922 949291294 /nfs/dbraw/zinc/29/12/94/949291294.db2.gz GZNWUTQVSJEIKC-BETUJISGSA-N 1 0 386.485 1.756 20 0 GDADRO CC(C)n1cc(C(=O)N[C@@H](C)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cn1 ZINC001574454962 949297320 /nfs/dbraw/zinc/29/73/20/949297320.db2.gz JDSWZHUYGPNOAW-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)(C)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573793569 949299973 /nfs/dbraw/zinc/29/99/73/949299973.db2.gz VFQOBIYZZFTPOZ-GDBMZVCRSA-N 1 0 384.484 1.856 20 0 GDADRO C[C@H](CN(C)C(=O)C1(c2cccnc2)CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574703390 949328130 /nfs/dbraw/zinc/32/81/30/949328130.db2.gz VPFKZYHAVVBTLK-OAHLLOKOSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@@H](NC(=O)C1=CCOCC1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575259611 949333377 /nfs/dbraw/zinc/33/33/77/949333377.db2.gz PTPHGQNENHIVGG-GFCCVEGCSA-N 1 0 386.431 1.289 20 0 GDADRO CC(C)n1ccc(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001574458653 949345688 /nfs/dbraw/zinc/34/56/88/949345688.db2.gz WDLUDNNDQAPMOB-AWEZNQCLSA-N 1 0 382.472 1.942 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccccc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574942380 949353412 /nfs/dbraw/zinc/35/34/12/949353412.db2.gz ZRKMHFYVIGFWNQ-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CCC1(F)F)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260816 949364036 /nfs/dbraw/zinc/36/40/36/949364036.db2.gz XSCXBRCULLBWAY-IAQYHMDHSA-N 1 0 376.411 1.849 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001575262453 949374223 /nfs/dbraw/zinc/37/42/23/949374223.db2.gz AMGGUZHBDNSAPF-ZIAGYGMSSA-N 1 0 386.504 1.687 20 0 GDADRO C[C@@H](NC(=O)C1CCOCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575262818 949382736 /nfs/dbraw/zinc/38/27/36/949382736.db2.gz CJRYDXFYFLKAKK-LLVKDONJSA-N 1 0 376.486 1.291 20 0 GDADRO C[C@@]1(C(=O)N2CC3(C2)CC[N@H+](Cc2cccc(-c4nn[nH]n4)c2)C3)CCOC1 ZINC001575528020 949384119 /nfs/dbraw/zinc/38/41/19/949384119.db2.gz KXRIFIQEWACTBU-LJQANCHMSA-N 1 0 382.468 1.328 20 0 GDADRO C[C@]1(C(=O)N2CC3(C2)CC[N@H+](Cc2cccc(-c4nn[nH]n4)c2)C3)CCOC1 ZINC001575528019 949385455 /nfs/dbraw/zinc/38/54/55/949385455.db2.gz KXRIFIQEWACTBU-IBGZPJMESA-N 1 0 382.468 1.328 20 0 GDADRO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574704589 949397673 /nfs/dbraw/zinc/39/76/73/949397673.db2.gz DEQBUEKVTAPGLA-WMLDXEAASA-N 1 0 386.504 1.783 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCC1(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704872 949409214 /nfs/dbraw/zinc/40/92/14/949409214.db2.gz FJBMVOZSQDCWEK-GXFFZTMASA-N 1 0 382.390 1.988 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575532923 949412976 /nfs/dbraw/zinc/41/29/76/949412976.db2.gz CYEIVCHUHBPYCP-LIRRHRJNSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@]1(C(=O)N2CCC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001575533914 949420385 /nfs/dbraw/zinc/42/03/85/949420385.db2.gz JIBZVDCKNNPTGB-FQEVSTJZSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H](CNC(=O)Cc1cscn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574946004 949423326 /nfs/dbraw/zinc/42/33/26/949423326.db2.gz ROOUFPUPHAGPFM-SNVBAGLBSA-N 1 0 375.433 1.299 20 0 GDADRO CC(C)n1cccc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574465664 949445243 /nfs/dbraw/zinc/44/52/43/949445243.db2.gz UXQZXHRTLAGMLM-LBPRGKRZSA-N 1 0 389.485 1.191 20 0 GDADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001574468000 949452592 /nfs/dbraw/zinc/45/25/92/949452592.db2.gz CSKLOYHGISZILY-IAGOWNOFSA-N 1 0 382.472 1.952 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574706275 949455189 /nfs/dbraw/zinc/45/51/89/949455189.db2.gz LTQCZYQCSNVOBW-OCCSQVGLSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574117338 949466889 /nfs/dbraw/zinc/46/68/89/949466889.db2.gz RGEJWPKVOVJURC-SFHVURJKSA-N 1 0 376.436 1.105 20 0 GDADRO CC1(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCC(F)(F)CC1 ZINC001575536344 949467112 /nfs/dbraw/zinc/46/71/12/949467112.db2.gz HFNYKRICMUVKLB-GFCCVEGCSA-N 1 0 391.426 1.912 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC001574469109 949470094 /nfs/dbraw/zinc/47/00/94/949470094.db2.gz WJZQDMJRTWGEKP-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001574468872 949471079 /nfs/dbraw/zinc/47/10/79/949471079.db2.gz UQTPRBHJAIMCBD-JOCQHMNTSA-N 1 0 381.444 1.082 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574469126 949473339 /nfs/dbraw/zinc/47/33/39/949473339.db2.gz XCVQVVGYMCPZQO-UHFFFAOYSA-N 1 0 381.444 1.176 20 0 GDADRO C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001576157716 949490161 /nfs/dbraw/zinc/49/01/61/949490161.db2.gz RRKXMCNLDWFZFQ-UGSOOPFHSA-N 1 0 387.492 1.085 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccncc1-c1nn[nH]n1 ZINC001575872381 949545097 /nfs/dbraw/zinc/54/50/97/949545097.db2.gz IRQBWJAYAYEXTH-DZGCQCFKSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576164278 949553691 /nfs/dbraw/zinc/55/36/91/949553691.db2.gz GOQHPTVSYYAUGC-SZOQZIPDSA-N 1 0 385.472 1.338 20 0 GDADRO CC1(C(=O)N2CCC[C@@](CO)([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001575539839 949558134 /nfs/dbraw/zinc/55/81/34/949558134.db2.gz UJNBWGRLPBVBCD-LJQANCHMSA-N 1 0 388.447 1.249 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2=CCOCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575872881 949561148 /nfs/dbraw/zinc/56/11/48/949561148.db2.gz LUZBRKOGICTAMO-KSSFIOAISA-N 1 0 382.468 1.683 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574955741 949567726 /nfs/dbraw/zinc/56/77/26/949567726.db2.gz DUYDOWPRIZXNBP-CXMBCZLWSA-N 1 0 388.447 1.415 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnco1 ZINC001573810886 949580739 /nfs/dbraw/zinc/58/07/39/949580739.db2.gz FELROOIXSIIUOP-OAHLLOKOSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574712968 949596554 /nfs/dbraw/zinc/59/65/54/949596554.db2.gz VOJWHQCOVKOYQP-JSGCOSHPSA-N 1 0 387.463 1.606 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@]1(F)CCOC1 ZINC001573811860 949609021 /nfs/dbraw/zinc/60/90/21/949609021.db2.gz OPGFROQDBZOZGQ-HNAYVOBHSA-N 1 0 390.463 1.616 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCOC1 ZINC001573811807 949609419 /nfs/dbraw/zinc/60/94/19/949609419.db2.gz NSAPXCZPUJCCIU-BBRMVZONSA-N 1 0 390.463 1.663 20 0 GDADRO CC1(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCC1 ZINC001575547276 949620705 /nfs/dbraw/zinc/62/07/05/949620705.db2.gz WSZJMSQDYPCGRT-KRWDZBQOSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCCOC1 ZINC001573812651 949622381 /nfs/dbraw/zinc/62/23/81/949622381.db2.gz SODMKFQTQHTUAG-WFASDCNBSA-N 1 0 392.529 1.975 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccon1 ZINC001573812797 949622877 /nfs/dbraw/zinc/62/28/77/949622877.db2.gz UCBREEUTFVBAGF-HNNXBMFYSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ncc[nH]1 ZINC001573812875 949627134 /nfs/dbraw/zinc/62/71/34/949627134.db2.gz VQYYAIGLGGESPF-AWEZNQCLSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(c2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001575272092 949633108 /nfs/dbraw/zinc/63/31/08/949633108.db2.gz NITXLWBBXZMRPQ-CHWSQXEVSA-N 1 0 390.467 1.074 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]CC1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573813524 949634319 /nfs/dbraw/zinc/63/43/19/949634319.db2.gz ZQDZDLGYEIMGNV-OAHLLOKOSA-N 1 0 375.477 1.356 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575272137 949638164 /nfs/dbraw/zinc/63/81/64/949638164.db2.gz NYRSODBJEXGUMB-LSDHHAIUSA-N 1 0 386.504 1.833 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H](C)n1cccn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574714831 949638366 /nfs/dbraw/zinc/63/83/66/949638366.db2.gz GQGFKWOHSIECKU-HUUCEWRRSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574715037 949638769 /nfs/dbraw/zinc/63/87/69/949638769.db2.gz ADNALBCAXAFKHH-QWHCGFSZSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574715180 949645050 /nfs/dbraw/zinc/64/50/50/949645050.db2.gz HHPIQGSQGKCGBI-HXPMCKFVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574958324 949665238 /nfs/dbraw/zinc/66/52/38/949665238.db2.gz IXPTUDRLCYNQPA-DOPJRALCSA-N 1 0 384.484 1.524 20 0 GDADRO C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCO1 ZINC001574477617 949667170 /nfs/dbraw/zinc/66/71/70/949667170.db2.gz SOVYYERWXMHHQY-QAPCUYQASA-N 1 0 386.500 1.962 20 0 GDADRO C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1c1ncc(-c2nn[nH]n2)cc1F ZINC001575877680 949667591 /nfs/dbraw/zinc/66/75/91/949667591.db2.gz MIFLJNLFUBBBTL-IUODEOHRSA-N 1 0 390.467 1.216 20 0 GDADRO C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576169241 949672709 /nfs/dbraw/zinc/67/27/09/949672709.db2.gz FZNOLRSBVSUMLQ-GDBMZVCRSA-N 1 0 386.504 1.643 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H](C)n1ccnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574716128 949685359 /nfs/dbraw/zinc/68/53/59/949685359.db2.gz MWPQAVXFTITYHW-HUUCEWRRSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1ccnc1 ZINC001574716129 949686051 /nfs/dbraw/zinc/68/60/51/949686051.db2.gz MWPQAVXFTITYHW-LSDHHAIUSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574717002 949719582 /nfs/dbraw/zinc/71/95/82/949719582.db2.gz NMMFGIRMCPXUTB-ZDUSSCGKSA-N 1 0 389.479 1.997 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cn2cccn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881798 949732778 /nfs/dbraw/zinc/73/27/78/949732778.db2.gz BAUKPARGGCRONW-WMLDXEAASA-N 1 0 380.456 1.233 20 0 GDADRO C[C@@H](NC(=O)CCOc1ccccc1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575277112 949739356 /nfs/dbraw/zinc/73/93/56/949739356.db2.gz NTWBSXFKCQJYLX-ZIAGYGMSSA-N 1 0 381.440 1.458 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1nccnc1-c1nn[nH]n1 ZINC001576171457 949766635 /nfs/dbraw/zinc/76/66/35/949766635.db2.gz QPJJQHOKBDHQIY-ZIAGYGMSSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccncn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574720499 949791618 /nfs/dbraw/zinc/79/16/18/949791618.db2.gz AVCXJQSABFSUJM-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1nccnc1-c1nn[nH]n1 ZINC001576172288 949795736 /nfs/dbraw/zinc/79/57/36/949795736.db2.gz WCCDZBHELSTOFI-KBPBESRZSA-N 1 0 387.492 1.036 20 0 GDADRO CC(C)OCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574720604 949796431 /nfs/dbraw/zinc/79/64/31/949796431.db2.gz DQLQQHRBZGRPMH-CYBMUJFWSA-N 1 0 378.452 1.757 20 0 GDADRO CC(C)C[C@@H](C)C[NH+]1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001574138974 949802065 /nfs/dbraw/zinc/80/20/65/949802065.db2.gz GTOJHKYCTSCZOC-OAHLLOKOSA-N 1 0 388.520 1.224 20 0 GDADRO CC(C)(C)[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573823175 949813060 /nfs/dbraw/zinc/81/30/60/949813060.db2.gz QPRDZWSESSNBEE-AWEZNQCLSA-N 1 0 384.488 1.300 20 0 GDADRO CC(C)OCCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574721430 949813804 /nfs/dbraw/zinc/81/38/04/949813804.db2.gz LHINDBPXPSKYSG-ZDUSSCGKSA-N 1 0 378.452 1.757 20 0 GDADRO CC(C)C[C@@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574139935 949823492 /nfs/dbraw/zinc/82/34/92/949823492.db2.gz LQCDAVGRTJTXEL-HIFRSBDPSA-N 1 0 377.493 1.242 20 0 GDADRO C[C@H](CNC(=O)c1c(Cl)cnn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574966010 949834058 /nfs/dbraw/zinc/83/40/58/949834058.db2.gz RPAQKAHOXHCICF-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ccncc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574722702 949838616 /nfs/dbraw/zinc/83/86/16/949838616.db2.gz VQKDXYIAHJEINA-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575283151 949859222 /nfs/dbraw/zinc/85/92/22/949859222.db2.gz NVDRFSVEWURHOS-WDEREUQCSA-N 1 0 387.394 1.510 20 0 GDADRO C[C@@H](CNC(=O)c1c(F)cncc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574966823 949862586 /nfs/dbraw/zinc/86/25/86/949862586.db2.gz CLGJDXMVCYFMOB-VIFPVBQESA-N 1 0 391.357 1.587 20 0 GDADRO C[C@H](NC(=O)COc1ccccc1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283344 949866539 /nfs/dbraw/zinc/86/65/39/949866539.db2.gz OHXZKSVXOMJXMA-HNNXBMFYSA-N 1 0 392.463 1.882 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cc2cnoc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575885319 949866866 /nfs/dbraw/zinc/86/68/66/949866866.db2.gz WJULPYVZFJCRDL-CXAGYDPISA-N 1 0 381.440 1.567 20 0 GDADRO CC(C)C[C@H](C)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574142356 949867335 /nfs/dbraw/zinc/86/73/35/949867335.db2.gz XUYACPJLQSQYFH-LIRRHRJNSA-N 1 0 389.504 1.698 20 0 GDADRO C[C@H](NC(=O)CCn1cccn1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283386 949871431 /nfs/dbraw/zinc/87/14/31/949871431.db2.gz FXNKXPQNXWNKAF-AWEZNQCLSA-N 1 0 380.456 1.090 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1nccn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574725578 949900525 /nfs/dbraw/zinc/90/05/25/949900525.db2.gz SSNALZSABXHIAE-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001574144538 949910335 /nfs/dbraw/zinc/91/03/35/949910335.db2.gz OQCBQVKVFBZILI-ZIAGYGMSSA-N 1 0 375.477 1.308 20 0 GDADRO C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574725931 949915905 /nfs/dbraw/zinc/91/59/05/949915905.db2.gz VZMBKNRWYQUJQG-VIFPVBQESA-N 1 0 384.897 1.331 20 0 GDADRO C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575285587 949953557 /nfs/dbraw/zinc/95/35/57/949953557.db2.gz PBFOAOAIGLFCBC-HUUCEWRRSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180515 949962190 /nfs/dbraw/zinc/96/21/90/949962190.db2.gz DVHXZPDIBDOOQK-ZIAGYGMSSA-N 1 0 387.463 1.720 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CCCOC1 ZINC001575573244 949987281 /nfs/dbraw/zinc/98/72/81/949987281.db2.gz KYGFVSIRUBMDKB-FXAWDEMLSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CCCOC1 ZINC001575573245 949989727 /nfs/dbraw/zinc/98/97/27/949989727.db2.gz KYGFVSIRUBMDKB-PXNSSMCTSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574490431 949995647 /nfs/dbraw/zinc/99/56/47/949995647.db2.gz RMSJJEHSYISTNX-CKEIUWERSA-N 1 0 380.456 1.395 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574150312 950024831 /nfs/dbraw/zinc/02/48/31/950024831.db2.gz BESWKDKYXNYCKF-LSDHHAIUSA-N 1 0 375.477 1.498 20 0 GDADRO CC(C)(C)CC(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573835049 950032073 /nfs/dbraw/zinc/03/20/73/950032073.db2.gz MXULNBUZGDAJMW-FQEVSTJZSA-N 1 0 386.500 1.746 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCCOC1 ZINC001574150620 950036786 /nfs/dbraw/zinc/03/67/86/950036786.db2.gz CNVHRXJBAQPIAS-QZTJIDSGSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574730998 950041942 /nfs/dbraw/zinc/04/19/42/950041942.db2.gz VDZMTKYVEZTYLC-NSHDSACASA-N 1 0 387.394 1.463 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574150966 950048989 /nfs/dbraw/zinc/04/89/89/950048989.db2.gz IGLPAVKRLKVDOO-JCGVRSQUSA-N 1 0 390.513 1.585 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnco1 ZINC001574151009 950050180 /nfs/dbraw/zinc/05/01/80/950050180.db2.gz JEEQKDIBOHIGLM-NSHDSACASA-N 1 0 375.458 1.851 20 0 GDADRO C[C@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576182977 950073842 /nfs/dbraw/zinc/07/38/42/950073842.db2.gz OEVGIPNVRQISQZ-RYUDHWBXSA-N 1 0 379.415 1.625 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1CCOCC1 ZINC001574151646 950090575 /nfs/dbraw/zinc/09/05/75/950090575.db2.gz XAKDKVBLFONJDB-AWEZNQCLSA-N 1 0 392.529 1.975 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccon1 ZINC001574151812 950096286 /nfs/dbraw/zinc/09/62/86/950096286.db2.gz YQAUDUVZZNASJU-AWEZNQCLSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)CCCOC1 ZINC001575582518 950116079 /nfs/dbraw/zinc/11/60/79/950116079.db2.gz FAOZLKRPBIOHDB-SCLBCKFNSA-N 1 0 390.513 1.826 20 0 GDADRO CC1(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCC1 ZINC001575582577 950121110 /nfs/dbraw/zinc/12/11/10/950121110.db2.gz KPLWGOVWTNKWNE-IBGZPJMESA-N 1 0 388.447 1.249 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1ncc[nH]1 ZINC001574153059 950126215 /nfs/dbraw/zinc/12/62/15/950126215.db2.gz MDZMZKBDVLJUFW-MRXNPFEDSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001574978629 950139232 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NLSCGPNBKSCKQI-ACJLOTCBSA-N 1 0 392.467 1.579 20 0 GDADRO CC(C)(C)CCC[NH2+][C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573844272 950189603 /nfs/dbraw/zinc/18/96/03/950189603.db2.gz DMICOEGBZWVNDI-IBGZPJMESA-N 1 0 389.504 1.578 20 0 GDADRO CC(C)(C)CC[NH+]1CCC(CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573844485 950193253 /nfs/dbraw/zinc/19/32/53/950193253.db2.gz IFNQEEWGXQHODE-UHFFFAOYSA-N 1 0 375.477 1.188 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C[NH2+]Cc1ccns1 ZINC001576191558 950200339 /nfs/dbraw/zinc/20/03/39/950200339.db2.gz ILZWEUINBLRCTA-NWDGAFQWSA-N 1 0 386.485 1.539 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576191684 950204443 /nfs/dbraw/zinc/20/44/43/950204443.db2.gz HTNIQNJWWMKOAU-KSSFIOAISA-N 1 0 392.467 1.545 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C[NH2+]CCOC1CCC1 ZINC001576191720 950208593 /nfs/dbraw/zinc/20/85/93/950208593.db2.gz JMZNQJRDLISTJG-DZGCQCFKSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576191952 950216623 /nfs/dbraw/zinc/21/66/23/950216623.db2.gz JAYSVBZRZHYTGG-CZUORRHYSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1csnn1 ZINC001575901440 950234270 /nfs/dbraw/zinc/23/42/70/950234270.db2.gz NNUBYEPFBNCGEM-TVQRCGJNSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)C1=COCCC1 ZINC001575901483 950234530 /nfs/dbraw/zinc/23/45/30/950234530.db2.gz OEYKKQOJWSVAET-SJCJKPOMSA-N 1 0 386.431 1.779 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575588787 950249780 /nfs/dbraw/zinc/24/97/80/950249780.db2.gz SHZJVCACDHGCOV-OXJNMPFZSA-N 1 0 384.484 1.622 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccc(F)cn1 ZINC001574157702 950251447 /nfs/dbraw/zinc/25/14/47/950251447.db2.gz HAZFHSAYSCLDDG-ZDUSSCGKSA-N 1 0 384.419 1.474 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001574497967 950252516 /nfs/dbraw/zinc/25/25/16/950252516.db2.gz HHPBTNYHYZCVIV-RISCZKNCSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c2ccccc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574742054 950263422 /nfs/dbraw/zinc/26/34/22/950263422.db2.gz GXPDMPKKRVUWGF-GFCCVEGCSA-N 1 0 376.424 1.738 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(CO)cc2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575904667 950283509 /nfs/dbraw/zinc/28/35/09/950283509.db2.gz ABLKTAIKGDWEHK-BLLLJJGKSA-N 1 0 381.440 1.080 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccns1 ZINC001575905193 950290376 /nfs/dbraw/zinc/29/03/76/950290376.db2.gz BXPKSHPGTNOKMH-HZMBPMFUSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccn(C)c1 ZINC001575905176 950290793 /nfs/dbraw/zinc/29/07/93/950290793.db2.gz BUITWGFRVIEWNG-YVEFUNNKSA-N 1 0 383.431 1.737 20 0 GDADRO CC1CC[NH+](CC(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001576193341 950298472 /nfs/dbraw/zinc/29/84/72/950298472.db2.gz TVCMVFFCPGFBJL-INIZCTEOSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1ccco1 ZINC001575906036 950302875 /nfs/dbraw/zinc/30/28/75/950302875.db2.gz GCOVTUVTMSKREV-YVEFUNNKSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCCO1 ZINC001574499876 950309512 /nfs/dbraw/zinc/30/95/12/950309512.db2.gz XLNQFCVOUDASLL-PBHICJAKSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576193682 950311051 /nfs/dbraw/zinc/31/10/51/950311051.db2.gz VJJVGPHOSRGNDH-CXAGYDPISA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccon1 ZINC001575906335 950310964 /nfs/dbraw/zinc/31/09/64/950310964.db2.gz HMPFWWIJDYDNIB-CXAGYDPISA-N 1 0 381.440 1.567 20 0 GDADRO CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)CCCO2)CCC1 ZINC001575593500 950317832 /nfs/dbraw/zinc/31/78/32/950317832.db2.gz GPSMOWJJQORKKM-INIZCTEOSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)COCC1CC1 ZINC001575907233 950329223 /nfs/dbraw/zinc/32/92/23/950329223.db2.gz NHJYHYWMGJDFGN-SJCJKPOMSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576194205 950330839 /nfs/dbraw/zinc/33/08/39/950330839.db2.gz XPFKZDWGXSMBMF-NEPJUHHUSA-N 1 0 384.469 1.350 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ccccc1O ZINC001575907416 950336226 /nfs/dbraw/zinc/33/62/26/950336226.db2.gz ONRACJVQYLZLIG-CXAGYDPISA-N 1 0 378.436 1.965 20 0 GDADRO C[C@]1(C(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575595684 950363741 /nfs/dbraw/zinc/36/37/41/950363741.db2.gz PUAIISRSIKNTAX-YWZLYKJASA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccncn1 ZINC001575908536 950367052 /nfs/dbraw/zinc/36/70/52/950367052.db2.gz UWOWCXDSDRZMMV-KBXCAEBGSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cnns1 ZINC001575908543 950368618 /nfs/dbraw/zinc/36/86/18/950368618.db2.gz UXGLFKJRKOWDLF-WPRPVWTQSA-N 1 0 376.471 1.173 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cncs1 ZINC001575908922 950383563 /nfs/dbraw/zinc/38/35/63/950383563.db2.gz XDKFNUMZTQESJJ-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574503049 950398742 /nfs/dbraw/zinc/39/87/42/950398742.db2.gz SPRMTUKXMJKYIO-PBHICJAKSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575597346 950410692 /nfs/dbraw/zinc/41/06/92/950410692.db2.gz PCAXZLSEZSOWFV-WRWLIDTKSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nc2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198371 950411284 /nfs/dbraw/zinc/41/12/84/950411284.db2.gz SEOOJIUDMQAIDY-HOCLYGCPSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575911591 950447534 /nfs/dbraw/zinc/44/75/34/950447534.db2.gz OIPRKODNBHQIOC-LRDDRELGSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(Cl)ccc1F ZINC001574993960 950471118 /nfs/dbraw/zinc/47/11/18/950471118.db2.gz NWYIFGFSAUQJPM-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccc1O ZINC001575912980 950471209 /nfs/dbraw/zinc/47/12/09/950471209.db2.gz SJICUTZJRZVDQF-DOMZBBRYSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576204848 950478796 /nfs/dbraw/zinc/47/87/96/950478796.db2.gz CXZYAFFZFPZBOJ-XJKSGUPXSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cnc(Cl)s2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575914618 950495100 /nfs/dbraw/zinc/49/51/00/950495100.db2.gz VGIVWUUJWMOIMN-GZMMTYOYSA-N 1 0 392.876 1.698 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(F)(F)F)ccn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574995280 950501905 /nfs/dbraw/zinc/50/19/05/950501905.db2.gz DCBXRBWHLLZMGF-SECBINFHSA-N 1 0 392.345 1.328 20 0 GDADRO CC(C)Oc1ccccc1C[NH2+][C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574995366 950507031 /nfs/dbraw/zinc/50/70/31/950507031.db2.gz FCOUTQISIFMQJF-ZDUSSCGKSA-N 1 0 383.456 1.890 20 0 GDADRO CC(C)Oc1cccc(C[NH2+][C@@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 ZINC001574996001 950522077 /nfs/dbraw/zinc/52/20/77/950522077.db2.gz JKNBQOOPVSMYEJ-ZDUSSCGKSA-N 1 0 383.456 1.890 20 0 GDADRO CC(C)(C)OCC(=O)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573868525 950542517 /nfs/dbraw/zinc/54/25/17/950542517.db2.gz DETCNVXYADTCJK-UHFFFAOYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)CCCOC1 ZINC001575614774 950552817 /nfs/dbraw/zinc/55/28/17/950552817.db2.gz PKSVSOPQNBNCBN-XLSPSMHOSA-N 1 0 382.468 1.230 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574513172 950595045 /nfs/dbraw/zinc/59/50/45/950595045.db2.gz IWTLMEBCKOBMAS-UONOGXRCSA-N 1 0 382.472 1.388 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573870503 950597497 /nfs/dbraw/zinc/59/74/97/950597497.db2.gz XENGBBJFOZIFAU-UKRRQHHQSA-N 1 0 387.488 1.586 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[C@H](C)n1cccn1 ZINC001574513257 950601280 /nfs/dbraw/zinc/60/12/80/950601280.db2.gz LSJZUAFPCXDVTG-OLZOCXBDSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](CNC(=O)c1cc(N(C)C)ccn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575000279 950602899 /nfs/dbraw/zinc/60/28/99/950602899.db2.gz BYVSWZLJURWQDG-CYBMUJFWSA-N 1 0 380.456 1.236 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001573870844 950605276 /nfs/dbraw/zinc/60/52/76/950605276.db2.gz XXSYGMFAQKSXIH-ZDUSSCGKSA-N 1 0 378.502 1.728 20 0 GDADRO CC(C)(C)OCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001573870869 950606341 /nfs/dbraw/zinc/60/63/41/950606341.db2.gz YXOZXQADJMPXQC-CALCHBBNSA-N 1 0 384.484 1.572 20 0 GDADRO CC1(C)C(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1(C)C ZINC001575619260 950617357 /nfs/dbraw/zinc/61/73/57/950617357.db2.gz NOOYCSFQNILXIZ-GFCCVEGCSA-N 1 0 390.463 1.255 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573871397 950620483 /nfs/dbraw/zinc/62/04/83/950620483.db2.gz PQWYKXMCNBHIKK-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCCN(c2cccc(F)c2-c2nn[nH]n2)C2CC2)C1 ZINC001576208966 950623713 /nfs/dbraw/zinc/62/37/13/950623713.db2.gz WJMXIPRFKOVRSX-CYBMUJFWSA-N 1 0 387.463 1.433 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573873607 950648995 /nfs/dbraw/zinc/64/89/95/950648995.db2.gz UGSXHGIVEXNQLM-BETUJISGSA-N 1 0 376.436 1.558 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1CCCO1 ZINC001574517861 950651875 /nfs/dbraw/zinc/65/18/75/950651875.db2.gz MNGASIBYPMLRPL-XPCVCDNBSA-N 1 0 390.513 1.870 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574518675 950654521 /nfs/dbraw/zinc/65/45/21/950654521.db2.gz PKSRTELJPWSBKG-CWRNSKLLSA-N 1 0 380.456 1.451 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575002594 950665001 /nfs/dbraw/zinc/66/50/01/950665001.db2.gz VQWCIQFGTKMWSM-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccn(C(F)F)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574760636 950673024 /nfs/dbraw/zinc/67/30/24/950673024.db2.gz XNLBXBOXQHGJTE-LLVKDONJSA-N 1 0 390.398 1.709 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001576214543 950674919 /nfs/dbraw/zinc/67/49/19/950674919.db2.gz PPXDBLUVAMUWLO-IKGGRYGDSA-N 1 0 396.499 1.220 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575924937 950677292 /nfs/dbraw/zinc/67/72/92/950677292.db2.gz GDUYMOCZAYGOJZ-BLLLJJGKSA-N 1 0 391.435 1.334 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2cnco2)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575006203 950714698 /nfs/dbraw/zinc/71/46/98/950714698.db2.gz SCXMZEXWZZHTBQ-LBPRGKRZSA-N 1 0 390.407 1.569 20 0 GDADRO C[C@H](CN(C)C(=O)c1cncnc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574763513 950716895 /nfs/dbraw/zinc/71/68/95/950716895.db2.gz CTGGRCMCRMZYGJ-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](CNC(=O)c1cc2ccccc2nn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575006494 950720096 /nfs/dbraw/zinc/72/00/96/950720096.db2.gz UYBBCSOQRYOLAK-CYBMUJFWSA-N 1 0 388.435 1.718 20 0 GDADRO C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575006628 950726352 /nfs/dbraw/zinc/72/63/52/950726352.db2.gz WJZXFFWDCNBSRB-LBPRGKRZSA-N 1 0 385.497 1.974 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574763667 950727723 /nfs/dbraw/zinc/72/77/23/950727723.db2.gz HSGIKHGETXKDPR-GFCCVEGCSA-N 1 0 383.460 1.208 20 0 GDADRO CC1(C)CC(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C23CCC3)C1 ZINC001575629564 950739449 /nfs/dbraw/zinc/73/94/49/950739449.db2.gz PLHJGLICJKMQQK-CVEARBPZSA-N 1 0 381.484 1.959 20 0 GDADRO C[C@H](CN(C)C(=O)c1cncnc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574764722 950757389 /nfs/dbraw/zinc/75/73/89/950757389.db2.gz XGDANHYDUMBFDF-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575928120 950771604 /nfs/dbraw/zinc/77/16/04/950771604.db2.gz YWTXFNZKNDZSCE-XHDPSFHLSA-N 1 0 391.439 1.066 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1cccn1 ZINC001574521429 950779307 /nfs/dbraw/zinc/77/93/07/950779307.db2.gz GCEQMVNEWVXALA-QWHCGFSZSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+][C@H]1CCc2c1cccc2F ZINC001575009183 950780312 /nfs/dbraw/zinc/78/03/12/950780312.db2.gz PJAYWGRRMOBZPF-ABAIWWIYSA-N 1 0 383.431 1.977 20 0 GDADRO CC(C)C(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576218369 950786563 /nfs/dbraw/zinc/78/65/63/950786563.db2.gz LOMOAPUFEHSRBF-YWZLYKJASA-N 1 0 384.484 1.715 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cccnc1 ZINC001574521817 950787092 /nfs/dbraw/zinc/78/70/92/950787092.db2.gz IFGVQHQKNILBFO-GJZGRUSLSA-N 1 0 379.468 1.877 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CC1OCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574523592 950818003 /nfs/dbraw/zinc/81/80/03/950818003.db2.gz OJGKDZACBWIQLT-KGLIPLIRSA-N 1 0 388.472 1.393 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cnn(C)c1 ZINC001574523475 950818426 /nfs/dbraw/zinc/81/84/26/950818426.db2.gz NWWHSNDLWJWCDZ-NWDGAFQWSA-N 1 0 388.501 1.277 20 0 GDADRO C[C@H](CN(C)C(=O)c1csnn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574766906 950834061 /nfs/dbraw/zinc/83/40/61/950834061.db2.gz OHSBIIZGTHJKNJ-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1ccon1 ZINC001574523950 950840183 /nfs/dbraw/zinc/84/01/83/950840183.db2.gz SLGCKBXRXNXXGK-RYUDHWBXSA-N 1 0 389.485 1.922 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC001575011277 950853093 /nfs/dbraw/zinc/85/30/93/950853093.db2.gz OEZCWURWXXEPHP-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCn1ccnc1 ZINC001574524373 950854941 /nfs/dbraw/zinc/85/49/41/950854941.db2.gz VZDLUJLRNVTDDY-STQMWFEESA-N 1 0 388.501 1.588 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cnn(C)c1 ZINC001574524446 950855845 /nfs/dbraw/zinc/85/58/45/950855845.db2.gz WKOJJCUNIALMPC-UONOGXRCSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccn(C)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574524398 950856511 /nfs/dbraw/zinc/85/65/11/950856511.db2.gz WFRVNMGYUBDKLY-KGLIPLIRSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CC1(O)CCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574524473 950860731 /nfs/dbraw/zinc/86/07/31/950860731.db2.gz WWWGCWIZJFGLTN-OLZOCXBDSA-N 1 0 390.463 1.684 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cncn1C ZINC001574524497 950863139 /nfs/dbraw/zinc/86/31/39/950863139.db2.gz XKGJURKMUSVXKU-NWDGAFQWSA-N 1 0 388.501 1.277 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@H](O)C1CCCCC1 ZINC001575011998 950873523 /nfs/dbraw/zinc/87/35/23/950873523.db2.gz VPWRISWIFMQOOV-LRDDRELGSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574767920 950875268 /nfs/dbraw/zinc/87/52/68/950875268.db2.gz VATYROSOJXEHKR-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCCO[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001575640150 950890307 /nfs/dbraw/zinc/89/03/07/950890307.db2.gz XRLNGMSWSGFYSA-OAHLLOKOSA-N 1 0 387.488 1.452 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCCO[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001575640148 950892717 /nfs/dbraw/zinc/89/27/17/950892717.db2.gz XRLNGMSWSGFYSA-HNNXBMFYSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnccn1 ZINC001574528174 950929437 /nfs/dbraw/zinc/92/94/37/950929437.db2.gz LTPYRUVNMHWJIZ-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1csnn1 ZINC001574528489 950931265 /nfs/dbraw/zinc/93/12/65/950931265.db2.gz MWPQUQVAJIRTMJ-VHSXEESVSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnn(C)c1 ZINC001574529373 950949268 /nfs/dbraw/zinc/94/92/68/950949268.db2.gz QLBPPBBSEWONRS-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)CCC[N@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001574195042 950968026 /nfs/dbraw/zinc/96/80/26/950968026.db2.gz GZIWFDQPBRFJBL-UHFFFAOYSA-N 1 0 389.504 1.530 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccncn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574530217 950974703 /nfs/dbraw/zinc/97/47/03/950974703.db2.gz UEQIXBKUNSXHAT-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO CC(C)CCC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574195282 950980275 /nfs/dbraw/zinc/98/02/75/950980275.db2.gz MGADMLNHPYPEGD-CQSZACIVSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(C2CC2)no1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574530325 950980701 /nfs/dbraw/zinc/98/07/01/950980701.db2.gz BUMIKHSTZAXKIY-GHMZBOCLSA-N 1 0 384.444 1.747 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]CCn1cc(Cl)cn1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574530597 950988778 /nfs/dbraw/zinc/98/87/78/950988778.db2.gz CLFHDTTZCCQFFI-WDEREUQCSA-N 1 0 391.867 1.231 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc2n(n1)CCC2)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574530685 950992573 /nfs/dbraw/zinc/99/25/73/950992573.db2.gz DIXYKPNTSZYEME-VXGBXAGGSA-N 1 0 383.460 1.024 20 0 GDADRO CC(C)CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001574195548 950994395 /nfs/dbraw/zinc/99/43/95/950994395.db2.gz ROMHPMIKLQYNBN-LJQANCHMSA-N 1 0 387.488 1.548 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574530787 950996182 /nfs/dbraw/zinc/99/61/82/950996182.db2.gz XEBPMQPWTFFJAF-OLZOCXBDSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-n2cccc2)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575018336 951017947 /nfs/dbraw/zinc/01/79/47/951017947.db2.gz PKZBNHROFPUFHI-AWEZNQCLSA-N 1 0 388.435 1.705 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(Cl)c1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575026917 951150523 /nfs/dbraw/zinc/15/05/23/951150523.db2.gz OCPKSVJCEQAFDB-VIFPVBQESA-N 1 0 375.795 1.707 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1COCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575027970 951165193 /nfs/dbraw/zinc/16/51/93/951165193.db2.gz KCYLCRMHEUEIOE-AWEZNQCLSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@@H](CNC(=O)c1cn2c(n1)CCC2)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575043373 951391130 /nfs/dbraw/zinc/39/11/30/951391130.db2.gz RNKUUJWPICKYLZ-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CNC(=O)c1cnc2[nH]ccc2c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575043635 951399214 /nfs/dbraw/zinc/39/92/14/951399214.db2.gz KZCNHCLSEBPKIJ-GFCCVEGCSA-N 1 0 376.424 1.603 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCC2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575045423 951427050 /nfs/dbraw/zinc/42/70/50/951427050.db2.gz CDKYMQRYMLBOGR-NSHDSACASA-N 1 0 384.419 1.057 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575046203 951438180 /nfs/dbraw/zinc/43/81/80/951438180.db2.gz LAYKCQBYKLPROG-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C(F)F)c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575052506 951466063 /nfs/dbraw/zinc/46/60/63/951466063.db2.gz KOCWJHFWSGAXNZ-NSHDSACASA-N 1 0 390.398 1.709 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001575052854 951471109 /nfs/dbraw/zinc/47/11/09/951471109.db2.gz PEVDOXMJFDAHCV-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CCF)c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575054263 951490954 /nfs/dbraw/zinc/49/09/54/951490954.db2.gz HIBLBPLDMZVODK-CYBMUJFWSA-N 1 0 386.435 1.283 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575055224 951499498 /nfs/dbraw/zinc/49/94/98/951499498.db2.gz OJJUOADRZPGQFI-ZDUSSCGKSA-N 1 0 380.456 1.381 20 0 GDADRO C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056345 951517927 /nfs/dbraw/zinc/51/79/27/951517927.db2.gz HUYISHAFUWVQTO-LLVKDONJSA-N 1 0 384.444 1.802 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C2CC2)n1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575056425 951520976 /nfs/dbraw/zinc/52/09/76/951520976.db2.gz IZYSBPOVSBTHQT-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1conc1C1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056900 951522756 /nfs/dbraw/zinc/52/27/56/951522756.db2.gz LZOAHVVNSNWMIJ-LLVKDONJSA-N 1 0 382.428 1.560 20 0 GDADRO C[C@H](CNC(=O)c1conc1C1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575057846 951532153 /nfs/dbraw/zinc/53/21/53/951532153.db2.gz RODFCKAJWUCMGG-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575060651 951544726 /nfs/dbraw/zinc/54/47/26/951544726.db2.gz CALJOLAPODCYEX-NSHDSACASA-N 1 0 381.444 1.118 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575062520 951570263 /nfs/dbraw/zinc/57/02/63/951570263.db2.gz XEJXLLOFWCDHJP-LBPRGKRZSA-N 1 0 380.456 1.329 20 0 GDADRO C[C@H](CNC(=O)c1occc1Br)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575065484 951586999 /nfs/dbraw/zinc/58/69/99/951586999.db2.gz HOSBIWYPGFTMRN-MRVPVSSYSA-N 1 0 392.217 1.270 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077066 951660397 /nfs/dbraw/zinc/66/03/97/951660397.db2.gz BMUIQRODMJDCLE-GXTWGEPZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCC1(F)F ZINC001575077246 951664587 /nfs/dbraw/zinc/66/45/87/951664587.db2.gz BCPWSUCQMBXPBA-GWCFXTLKSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077876 951675430 /nfs/dbraw/zinc/67/54/30/951675430.db2.gz JEFOYCSVWKNZDH-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](CNC(=O)[C@@]1(C)CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078803 951684040 /nfs/dbraw/zinc/68/40/40/951684040.db2.gz ABMYWTKFJHAMGS-YJYMSZOUSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001575078604 951684840 /nfs/dbraw/zinc/68/48/40/951684840.db2.gz KZKHXDOPNUVYIW-VXGBXAGGSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccccc1O ZINC001575078919 951685542 /nfs/dbraw/zinc/68/55/42/951685542.db2.gz NVEWNRSKEFJPOK-LBPRGKRZSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1cscn1 ZINC001575079302 951690285 /nfs/dbraw/zinc/69/02/85/951690285.db2.gz COXBSWTWFITGNP-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)C1CC(F)(F)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079704 951695808 /nfs/dbraw/zinc/69/58/08/951695808.db2.gz NTOCXOXWLJJLBS-SNVBAGLBSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575079899 951699779 /nfs/dbraw/zinc/69/97/79/951699779.db2.gz SRWGESPXEINTLM-LPHOPBHVSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)[C@H]1CCCO1)C1CC1 ZINC001575080680 951711902 /nfs/dbraw/zinc/71/19/02/951711902.db2.gz MQKPJRWPXBSCIQ-APWZRJJASA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](CNC(=O)C1(C(F)F)CC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080569 951712932 /nfs/dbraw/zinc/71/29/32/951712932.db2.gz YGSLILAIEUVKRK-JTQLQIEISA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1csnn1 ZINC001575081589 951723951 /nfs/dbraw/zinc/72/39/51/951723951.db2.gz QPSMEHIOGAUSMG-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)c1cnon1)C1CC1 ZINC001575081571 951724288 /nfs/dbraw/zinc/72/42/88/951724288.db2.gz QKFQWAWCFPSOFB-KRWDZBQOSA-N 1 0 386.391 1.077 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575081909 951729246 /nfs/dbraw/zinc/72/92/46/951729246.db2.gz SYEDTPJKFFNRNO-BFUOFWGJSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](CNC(=O)CC[C@@H]1CCCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082357 951733009 /nfs/dbraw/zinc/73/30/09/951733009.db2.gz XPBCWIOWCWOERO-CJNGLKHVSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001575082380 951733899 /nfs/dbraw/zinc/73/38/99/951733899.db2.gz XWICRDSPKZTUBA-ZBEGNZNMSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1CCOCC1 ZINC001575089139 951745882 /nfs/dbraw/zinc/74/58/82/951745882.db2.gz DWPKZKQDQQGMDU-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001575089025 951746556 /nfs/dbraw/zinc/74/65/56/951746556.db2.gz CORIZXCVVJOONK-RZAIGCCYSA-N 1 0 388.497 1.339 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CCC1(F)F ZINC001575089351 951748663 /nfs/dbraw/zinc/74/86/63/951748663.db2.gz GPQSDHKAEGVKJA-GXFFZTMASA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ccncc1F ZINC001575090208 951759464 /nfs/dbraw/zinc/75/94/64/951759464.db2.gz KAZVEROQXSDTDH-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)C[C@H](C)n1cccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091141 951770163 /nfs/dbraw/zinc/77/01/63/951770163.db2.gz OAXXFZFBMTYOKV-GJZGRUSLSA-N 1 0 382.472 1.556 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1csnn1 ZINC001575091416 951774678 /nfs/dbraw/zinc/77/46/78/951774678.db2.gz QQUGTZUCKVPCHV-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CCCCO1 ZINC001575091474 951776520 /nfs/dbraw/zinc/77/65/20/951776520.db2.gz RYHZPVXDSOLQSA-LRDDRELGSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)Cc1cccnc1 ZINC001575091477 951776595 /nfs/dbraw/zinc/77/65/95/951776595.db2.gz RYOYBWRKCNZKKI-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575091833 951784053 /nfs/dbraw/zinc/78/40/53/951784053.db2.gz VIDYCBDOAITYIN-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C[C@@H](C)n1cccn1 ZINC001575092901 951795256 /nfs/dbraw/zinc/79/52/56/951795256.db2.gz FRTBKIKEDMQOPT-HUUCEWRRSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@H](CNC(=O)c1c(F)cncc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092532 951795482 /nfs/dbraw/zinc/79/54/82/951795482.db2.gz DDRMMWYDYADTNQ-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)c1cnoc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098101 951819829 /nfs/dbraw/zinc/81/98/29/951819829.db2.gz AQUGJRIAXJFPDE-SNVBAGLBSA-N 1 0 387.469 1.949 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098152 951821674 /nfs/dbraw/zinc/82/16/74/951821674.db2.gz BMPMACCDVOITOY-STQMWFEESA-N 1 0 378.502 1.587 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1ccncn1 ZINC001575098425 951823526 /nfs/dbraw/zinc/82/35/26/951823526.db2.gz CQDUBUDNBDUBMA-LBPRGKRZSA-N 1 0 386.485 1.288 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)(NC(=O)c1ccon1)C1CC1 ZINC001575101398 951857829 /nfs/dbraw/zinc/85/78/29/951857829.db2.gz DAEUOFCYKZFJSP-SFHVURJKSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCC1(F)F ZINC001575101747 951864537 /nfs/dbraw/zinc/86/45/37/951864537.db2.gz JEBMKIJJWJYBJB-ZWNOBZJWSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CNC(=O)CCc1c[nH]cn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102021 951865555 /nfs/dbraw/zinc/86/55/55/951865555.db2.gz KPAROKDEVVQHPX-LBPRGKRZSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102358 951867544 /nfs/dbraw/zinc/86/75/44/951867544.db2.gz LOXOWVNGEROKRU-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cnc2n1CCC2 ZINC001575102728 951872649 /nfs/dbraw/zinc/87/26/49/951872649.db2.gz POFWJIAEVKMVDU-NSHDSACASA-N 1 0 386.485 1.321 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCCCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103279 951873194 /nfs/dbraw/zinc/87/31/94/951873194.db2.gz SEOSBIUFEHGDBN-HIFRSBDPSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](CNC(=O)c1cscn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103799 951877723 /nfs/dbraw/zinc/87/77/23/951877723.db2.gz WFGWNXREOCVBRY-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](CNC(=O)CCc1cccnc1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575103987 951880144 /nfs/dbraw/zinc/88/01/44/951880144.db2.gz AFLHNHDMAJWOBK-HNNXBMFYSA-N 1 0 379.468 1.736 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1cnsn1 ZINC001575104050 951880252 /nfs/dbraw/zinc/88/02/52/951880252.db2.gz AYICKGQRCXAMHZ-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575106119 951900498 /nfs/dbraw/zinc/90/04/98/951900498.db2.gz QBIFNELYLNTJFZ-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1cccnc1)C1CC1 ZINC001575107035 951911599 /nfs/dbraw/zinc/91/15/99/951911599.db2.gz XQCNXIBUTGCZIJ-FQEVSTJZSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCCn1ccnc1 ZINC001575108354 951924636 /nfs/dbraw/zinc/92/46/36/951924636.db2.gz LPERSXANGNGXLR-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001575114070 951952313 /nfs/dbraw/zinc/95/23/13/951952313.db2.gz LUCFOZINLZPIEX-LJQANCHMSA-N 1 0 384.484 1.546 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(F)c1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575115205 951962436 /nfs/dbraw/zinc/96/24/36/951962436.db2.gz VUAFOBJSKMILNT-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1nccn2ccnc12 ZINC001575115552 951965861 /nfs/dbraw/zinc/96/58/61/951965861.db2.gz YCZHYTKISKLWBW-ZDUSSCGKSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1nc2c(o1)CCCC2 ZINC001575117051 951976740 /nfs/dbraw/zinc/97/67/40/951976740.db2.gz KRZBHOJTGJQELS-LLVKDONJSA-N 1 0 384.444 1.217 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575143623 952154205 /nfs/dbraw/zinc/15/42/05/952154205.db2.gz BRHPWSXKZDEXMP-SFHVURJKSA-N 1 0 382.403 1.228 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575146809 952196558 /nfs/dbraw/zinc/19/65/58/952196558.db2.gz NXRYLHCXSKFCIR-LBPRGKRZSA-N 1 0 378.440 1.529 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575164183 952288297 /nfs/dbraw/zinc/28/82/97/952288297.db2.gz BWBVBZMSGWYBPO-MNOVXSKESA-N 1 0 378.868 1.126 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575164961 952300801 /nfs/dbraw/zinc/30/08/01/952300801.db2.gz PASRIQCUHMMGQF-NWDGAFQWSA-N 1 0 376.440 1.001 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575188590 952448572 /nfs/dbraw/zinc/44/85/72/952448572.db2.gz JTPQKSULMMMKRS-IYXRBSQSSA-N 1 0 381.440 1.557 20 0 GDADRO Cc1cc(NC[C@H]2CCN(C(=O)C(C)(C)F)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571118012 952485994 /nfs/dbraw/zinc/48/59/94/952485994.db2.gz RVCAOGBORHDOEI-DGCLKSJQSA-N 1 0 375.452 1.637 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001575199776 952491376 /nfs/dbraw/zinc/49/13/76/952491376.db2.gz FKWIBJRRNARLAG-QTXLCTLRSA-N 1 0 392.467 1.015 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575202249 952511826 /nfs/dbraw/zinc/51/18/26/952511826.db2.gz USUCCQIRXDCRCU-CYBMUJFWSA-N 1 0 380.456 1.017 20 0 GDADRO C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571121039 952512977 /nfs/dbraw/zinc/51/29/77/952512977.db2.gz VHITZFUPDGIXAC-LDYMZIIASA-N 1 0 376.421 1.041 20 0 GDADRO Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571122333 952525367 /nfs/dbraw/zinc/52/53/67/952525367.db2.gz ITDYBHJYVPVZLP-GRYCIOLGSA-N 1 0 376.490 1.033 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001571123396 952528758 /nfs/dbraw/zinc/52/87/58/952528758.db2.gz RDCOBGUMYOCLSN-TZMCWYRMSA-N 1 0 376.486 1.388 20 0 GDADRO CC1(C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001571124007 952533754 /nfs/dbraw/zinc/53/37/54/952533754.db2.gz XBSGKIABBQNODV-LBPRGKRZSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@@H](Cc1cnn(C)c1)C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575207851 952535658 /nfs/dbraw/zinc/53/56/58/952535658.db2.gz UCTPJMLQKFCGRF-AWEZNQCLSA-N 1 0 382.472 1.027 20 0 GDADRO C[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCC1(F)F ZINC001571124282 952536285 /nfs/dbraw/zinc/53/62/85/952536285.db2.gz DNTYNTGIAGWFLL-GRYCIOLGSA-N 1 0 377.399 1.496 20 0 GDADRO Cc1cc(N[C@H]2C[C@H](C)N(C(=O)C3CC(F)(F)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124291 952536596 /nfs/dbraw/zinc/53/65/96/952536596.db2.gz DTUYCUYTWSQFOL-JQWIXIFHSA-N 1 0 377.399 1.439 20 0 GDADRO CC(F)(F)C(=O)NCC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001575211545 952546694 /nfs/dbraw/zinc/54/66/94/952546694.db2.gz TWRJTJPFQWYMPY-UHFFFAOYSA-N 1 0 382.390 1.989 20 0 GDADRO O=C(NC[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571127248 952552797 /nfs/dbraw/zinc/55/27/97/952552797.db2.gz CBGUCMDMNMXWDR-OUOZUETKSA-N 1 0 377.452 1.960 20 0 GDADRO CC(F)(F)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575212900 952554716 /nfs/dbraw/zinc/55/47/16/952554716.db2.gz NHVZWTUGOAWWOZ-LLVKDONJSA-N 1 0 382.390 1.989 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC001571127453 952555006 /nfs/dbraw/zinc/55/50/06/952555006.db2.gz JMQMZAYSWBOEEY-MRXNPFEDSA-N 1 0 377.452 1.856 20 0 GDADRO CN(C(=O)C1C=CC=CC=C1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571127730 952558991 /nfs/dbraw/zinc/55/89/91/952558991.db2.gz MKEXUBKNOFCZNT-UHFFFAOYSA-N 1 0 377.452 1.987 20 0 GDADRO Cc1cncc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571127827 952560980 /nfs/dbraw/zinc/56/09/80/952560980.db2.gz KIOOQJARYUNWSD-CALCHBBNSA-N 1 0 377.452 1.550 20 0 GDADRO Cc1cc(NCC2CC(NC(=O)Cc3ccccc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571127908 952562733 /nfs/dbraw/zinc/56/27/33/952562733.db2.gz MKNGUJQZLARNJF-UHFFFAOYSA-N 1 0 377.452 1.541 20 0 GDADRO CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC001571129010 952573249 /nfs/dbraw/zinc/57/32/49/952573249.db2.gz YZMXEXWBPYJKJD-UHFFFAOYSA-N 1 0 377.452 1.932 20 0 GDADRO Cc1cc(NC[C@@H]2CCCN2C(=O)Cc2cccnc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134058 952585041 /nfs/dbraw/zinc/58/50/41/952585041.db2.gz CUDKTHSRCDFMEL-HNNXBMFYSA-N 1 0 378.440 1.033 20 0 GDADRO C[C@H]1CN(C(=O)c2ccncn2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571134245 952587093 /nfs/dbraw/zinc/58/70/93/952587093.db2.gz DBCCSMRDPQIWHS-XJKSGUPXSA-N 1 0 378.440 1.155 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(C(=O)c2ccncn2)C1 ZINC001571134226 952587367 /nfs/dbraw/zinc/58/73/67/952587367.db2.gz CHJJNGQVJGCUBD-MRXNPFEDSA-N 1 0 378.440 1.393 20 0 GDADRO C[C@H]1CN(C(=O)c2ccncn2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571134242 952587457 /nfs/dbraw/zinc/58/74/57/952587457.db2.gz DBCCSMRDPQIWHS-BBRMVZONSA-N 1 0 378.440 1.155 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)Cc3cnccc3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135118 952599934 /nfs/dbraw/zinc/59/99/34/952599934.db2.gz RVAANDZPQVAIOZ-HNNXBMFYSA-N 1 0 378.440 1.211 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571139339 952620123 /nfs/dbraw/zinc/62/01/23/952620123.db2.gz GEKSNHLFWRBFHV-VXGBXAGGSA-N 1 0 379.415 1.824 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cc(C2CC2)n[nH]1 ZINC001571140983 952629394 /nfs/dbraw/zinc/62/93/94/952629394.db2.gz DOCABNHBEQZPEI-CQSZACIVSA-N 1 0 378.440 1.472 20 0 GDADRO C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571141563 952634128 /nfs/dbraw/zinc/63/41/28/952634128.db2.gz IJGNGWXIWLUMIH-VXGBXAGGSA-N 1 0 378.502 1.273 20 0 GDADRO Cc1nnccc1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571141586 952634493 /nfs/dbraw/zinc/63/44/93/952634493.db2.gz IQYDZWLTHHPHLU-INIZCTEOSA-N 1 0 378.440 1.360 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)c(-c2nn[nH]n2)c1 ZINC001571141940 952636823 /nfs/dbraw/zinc/63/68/23/952636823.db2.gz LDZRWVHLTPFPIM-UHFFFAOYSA-N 1 0 378.502 1.575 20 0 GDADRO COc1ncccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571142127 952639117 /nfs/dbraw/zinc/63/91/17/952639117.db2.gz PWEOKSNANDLCEW-HDJSIYSDSA-N 1 0 379.424 1.321 20 0 GDADRO O=C(NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1O ZINC001571142603 952643949 /nfs/dbraw/zinc/64/39/49/952643949.db2.gz XYEGPXPYNZRSBK-CYBMUJFWSA-N 1 0 379.424 1.614 20 0 GDADRO Cc1c(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)ccn1C ZINC001571150846 952670892 /nfs/dbraw/zinc/67/08/92/952670892.db2.gz HLUDUKWDKVGFLO-SCLBCKFNSA-N 1 0 379.468 1.764 20 0 GDADRO Cc1ccn(C)c1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571151717 952677922 /nfs/dbraw/zinc/67/79/22/952677922.db2.gz VQDPDNDHKOSDIV-KOMQPUFPSA-N 1 0 379.468 1.812 20 0 GDADRO O=C(C1C=CC=CC=C1)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571165381 952749737 /nfs/dbraw/zinc/74/97/37/952749737.db2.gz CJJSTODHQOAZFD-KRWDZBQOSA-N 1 0 380.427 1.995 20 0 GDADRO O=C(Cc1ccccc1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571165360 952749938 /nfs/dbraw/zinc/74/99/38/952749938.db2.gz CASSUNKVQKDWRW-WKILWMFISA-N 1 0 380.427 1.985 20 0 GDADRO CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c(C)n1 ZINC001571166748 952764604 /nfs/dbraw/zinc/76/46/04/952764604.db2.gz PRTKFIOJVHVVHA-OAHLLOKOSA-N 1 0 380.456 1.396 20 0 GDADRO CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571167013 952769099 /nfs/dbraw/zinc/76/90/99/952769099.db2.gz SIKMSTSJLDDHFA-KRWDZBQOSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167188 952771907 /nfs/dbraw/zinc/77/19/07/952771907.db2.gz XRPJKNSSCYCGKS-XJKSGUPXSA-N 1 0 380.456 1.302 20 0 GDADRO O=C(Cc1cccc(F)c1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571167258 952772672 /nfs/dbraw/zinc/77/26/72/952772672.db2.gz ZWVHPPAIQMZTSW-QAQDUYKDSA-N 1 0 380.427 1.985 20 0 GDADRO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169356 952772974 /nfs/dbraw/zinc/77/29/74/952772974.db2.gz AMQAWNKSACMRIW-OAHLLOKOSA-N 1 0 380.456 1.140 20 0 GDADRO Cc1c[nH]nc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571169475 952774122 /nfs/dbraw/zinc/77/41/22/952774122.db2.gz DQZDJVPTLCJIQF-OAHLLOKOSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571169665 952777230 /nfs/dbraw/zinc/77/72/30/952777230.db2.gz JYHHFJFMURZFFP-MRXNPFEDSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169825 952779422 /nfs/dbraw/zinc/77/94/22/952779422.db2.gz ORRHJROMEIWCNF-HZPDHXFCSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1cnn(C)c1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169870 952779778 /nfs/dbraw/zinc/77/97/78/952779778.db2.gz PNYAUZCBIMOFKY-INIZCTEOSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C ZINC001571169931 952780690 /nfs/dbraw/zinc/78/06/90/952780690.db2.gz QZSWHHRSJCXRLB-CJNGLKHVSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC001571170102 952782699 /nfs/dbraw/zinc/78/26/99/952782699.db2.gz SRVGHRCQMASNFA-WBMJQRKESA-N 1 0 380.456 1.681 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c(C)n1C ZINC001571170890 952789105 /nfs/dbraw/zinc/78/91/05/952789105.db2.gz YRTIBJBCRMLFTF-AWEZNQCLSA-N 1 0 380.456 1.534 20 0 GDADRO O=C(Cc1c[nH]cn1)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571171771 952797020 /nfs/dbraw/zinc/79/70/20/952797020.db2.gz GHBYWRLPSCWMAG-NVXWUHKLSA-N 1 0 380.456 1.207 20 0 GDADRO Cc1ncccc1C[N@H+]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C ZINC001571172073 952801445 /nfs/dbraw/zinc/80/14/45/952801445.db2.gz LONUUCBYVOJIII-BLLLJJGKSA-N 1 0 380.456 1.681 20 0 GDADRO O=C(c1ncc[nH]1)N1CCCCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172139 952802930 /nfs/dbraw/zinc/80/29/30/952802930.db2.gz NPQRRNCARUVLIS-HNNXBMFYSA-N 1 0 380.456 1.764 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571172205 952804440 /nfs/dbraw/zinc/80/44/40/952804440.db2.gz PBDGGWKFQBBECN-JKSUJKDBSA-N 1 0 380.456 1.289 20 0 GDADRO CS[C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571172553 952807906 /nfs/dbraw/zinc/80/79/06/952807906.db2.gz XBLINWRFQBXCTR-RYUDHWBXSA-N 1 0 380.543 1.960 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)c1cccnc1 ZINC001571178242 952838052 /nfs/dbraw/zinc/83/80/52/952838052.db2.gz CGUQYFQAACPPDD-SJKOYZFVSA-N 1 0 381.415 1.651 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cccnc2)CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571178518 952841816 /nfs/dbraw/zinc/84/18/16/952841816.db2.gz LLYCHJXRHZPISB-PXAZEXFGSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccncc2)C[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571178572 952843555 /nfs/dbraw/zinc/84/35/55/952843555.db2.gz NJNUAYPFSGKIPZ-PXAZEXFGSA-N 1 0 381.415 1.651 20 0 GDADRO Cc1nc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571179621 952854953 /nfs/dbraw/zinc/85/49/53/952854953.db2.gz HLCSNWLUUCQWCE-GOEBONIOSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)c1 ZINC001571179916 952856603 /nfs/dbraw/zinc/85/66/03/952856603.db2.gz KFKBSGHSXSONEF-OAHLLOKOSA-N 1 0 381.440 1.134 20 0 GDADRO Cc1cc(N2C[C@H](NC(=O)Cc3ccco3)CC[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180197 952859623 /nfs/dbraw/zinc/85/96/23/952859623.db2.gz MJSCNZKTNIUPFN-ZIAGYGMSSA-N 1 0 381.440 1.879 20 0 GDADRO Cc1nocc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571180620 952861249 /nfs/dbraw/zinc/86/12/49/952861249.db2.gz RAJYGBODNNAKMT-SWLSCSKDSA-N 1 0 381.440 1.946 20 0 GDADRO Cc1ccc(CC(=O)N[C@H]2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571180947 952861381 /nfs/dbraw/zinc/86/13/81/952861381.db2.gz RQDKEWGJDOPPBO-KBPBESRZSA-N 1 0 381.440 1.667 20 0 GDADRO Cc1ccc(CC(=O)N[C@H]2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571180949 952861602 /nfs/dbraw/zinc/86/16/02/952861602.db2.gz RQDKEWGJDOPPBO-KGLIPLIRSA-N 1 0 381.440 1.667 20 0 GDADRO Cc1cnoc1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571181892 952865725 /nfs/dbraw/zinc/86/57/25/952865725.db2.gz ZIUBGFOQMMLSDS-HOCLYGCPSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1nocc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC001571181813 952866445 /nfs/dbraw/zinc/86/64/45/952866445.db2.gz YMNNRNKCHMYLEE-YVEFUNNKSA-N 1 0 381.440 1.804 20 0 GDADRO Cc1cnccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571182754 952868845 /nfs/dbraw/zinc/86/88/45/952868845.db2.gz DMEKQCXGKJMUFO-SHTZXODSSA-N 1 0 381.415 1.760 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001571182949 952870535 /nfs/dbraw/zinc/87/05/35/952870535.db2.gz KMIZMFRUJSRFON-BBRMVZONSA-N 1 0 381.440 1.424 20 0 GDADRO CCc1ncoc1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571183069 952873084 /nfs/dbraw/zinc/87/30/84/952873084.db2.gz NMCNOJKEVJYCRR-AWEZNQCLSA-N 1 0 381.440 1.812 20 0 GDADRO Cn1cccc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571183160 952874267 /nfs/dbraw/zinc/87/42/67/952874267.db2.gz QOMKBFBJEJHGFM-HALDLXJZSA-N 1 0 381.415 1.205 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCC[C@H](C)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571186832 952909086 /nfs/dbraw/zinc/90/90/86/952909086.db2.gz ZZSTXLIERPHSBT-NHYWBVRUSA-N 1 0 381.444 1.068 20 0 GDADRO Cc1nn[nH]c1C(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571187953 952911684 /nfs/dbraw/zinc/91/16/84/952911684.db2.gz DIZJBLJKWCAIAN-CABCVRRESA-N 1 0 381.444 1.124 20 0 GDADRO Cc1cc(N[C@H]2C[C@H](NC(=O)c3ccnn3C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189331 952927766 /nfs/dbraw/zinc/92/77/66/952927766.db2.gz VBWQAADIGCHETJ-JOCQHMNTSA-N 1 0 381.444 1.142 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571190810 952944812 /nfs/dbraw/zinc/94/48/12/952944812.db2.gz MNLAWHKDPKIILK-PHZGNYQRSA-N 1 0 381.484 1.683 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1ccncn1 ZINC001571197192 952987640 /nfs/dbraw/zinc/98/76/40/952987640.db2.gz UASJPNXFGLWABO-RISCZKNCSA-N 1 0 382.403 1.189 20 0 GDADRO CC1(C)CN(c2cc[nH+]cc2-c2nn[nH]n2)CC[C@H]1NC(=O)Cc1ccon1 ZINC001571199758 953004375 /nfs/dbraw/zinc/00/43/75/953004375.db2.gz BJQJDHDJDYZMCG-OAHLLOKOSA-N 1 0 382.428 1.214 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CN(C(=O)c2ccco2)C[C@H]1C ZINC001571200464 953008313 /nfs/dbraw/zinc/00/83/13/953008313.db2.gz IWARLRJQKDCVNU-DOMZBBRYSA-N 1 0 382.424 1.719 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ncccn1 ZINC001571200332 953008900 /nfs/dbraw/zinc/00/89/00/953008900.db2.gz HUEDRLDSCRPNMR-JOCQHMNTSA-N 1 0 382.403 1.094 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C)o3)C2)cc1-c1nn[nH]n1 ZINC001571201170 953016882 /nfs/dbraw/zinc/01/68/82/953016882.db2.gz OXEOMCLHJFYMIK-OKILXGFUSA-N 1 0 382.424 1.827 20 0 GDADRO Cc1cnoc1C(=O)N1CCC(C)(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571201665 953019299 /nfs/dbraw/zinc/01/92/99/953019299.db2.gz MNOMJTGOPXUPTM-UHFFFAOYSA-N 1 0 382.428 1.395 20 0 GDADRO Cc1nc(C(=O)N[C@H](C)[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)co1 ZINC001571202732 953027804 /nfs/dbraw/zinc/02/78/04/953027804.db2.gz XNNISHVCTPONGJ-DGCLKSJQSA-N 1 0 382.428 1.593 20 0 GDADRO Cc1nocc1C(=O)N[C@@H]1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202672 953028344 /nfs/dbraw/zinc/02/83/44/953028344.db2.gz XLAZJIINOKMXPV-QWHCGFSZSA-N 1 0 382.428 1.442 20 0 GDADRO Cc1conc1C(=O)N1CCCC[C@@H]1[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571202849 953028592 /nfs/dbraw/zinc/02/85/92/953028592.db2.gz ZNKXBDQNALTQTB-SWLSCSKDSA-N 1 0 382.428 1.475 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H](C[NH2+]Cc2coc(C3CC3)n2)C1 ZINC001571204571 953030112 /nfs/dbraw/zinc/03/01/12/953030112.db2.gz AAEGPKUAHDCPQX-LLVKDONJSA-N 1 0 382.428 1.312 20 0 GDADRO Cc1noc(C)c1C(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571206907 953057147 /nfs/dbraw/zinc/05/71/47/953057147.db2.gz SRAGDAQIXKYUFC-JOCQHMNTSA-N 1 0 382.428 1.442 20 0 GDADRO Cc1nocc1C[N@@H+]1CC[C@@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@H]12 ZINC001571207064 953058942 /nfs/dbraw/zinc/05/89/42/953058942.db2.gz VMXMIVZQXMCIAI-YJBOKZPZSA-N 1 0 382.428 1.418 20 0 GDADRO Cc1nc(C)c(C[N@@H+]2CCC3(CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C3)C2)o1 ZINC001571207220 953060618 /nfs/dbraw/zinc/06/06/18/953060618.db2.gz XLFJULRMGRHSNJ-UHFFFAOYSA-N 1 0 382.428 1.148 20 0 GDADRO Cc1nonc1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC001571207343 953062047 /nfs/dbraw/zinc/06/20/47/953062047.db2.gz YCIROGATSZAZLW-NHYWBVRUSA-N 1 0 382.428 1.341 20 0 GDADRO O=C([C@@H]1CCCCO1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001571209874 953068540 /nfs/dbraw/zinc/06/85/40/953068540.db2.gz HLGRJXUENHTRNF-KSZLIROESA-N 1 0 382.468 1.326 20 0 GDADRO CO[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)C1CC2(CC2)C1 ZINC001571210156 953070337 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/nfs/dbraw/zinc/12/58/81/953125881.db2.gz PWDUFYNBFXRGNM-BXUZGUMPSA-N 1 0 383.412 1.114 20 0 GDADRO O=C(Cc1ccc[nH]1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571229382 953169172 /nfs/dbraw/zinc/16/91/72/953169172.db2.gz DEPYTKQEXKDXAR-CQSZACIVSA-N 1 0 383.431 1.515 20 0 GDADRO CC1(C)C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1NC(=O)c1cc[nH]c1 ZINC001571229333 953169251 /nfs/dbraw/zinc/16/92/51/953169251.db2.gz CGXXGUMFMOTXNA-MRXNPFEDSA-N 1 0 383.431 1.974 20 0 GDADRO Cc1[nH]ccc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571230641 953178690 /nfs/dbraw/zinc/17/86/90/953178690.db2.gz ZEQCZHCFCVOKNX-AWEZNQCLSA-N 1 0 383.431 1.894 20 0 GDADRO O=C([C@H]1CCCO1)N1CCC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571233478 953192976 /nfs/dbraw/zinc/19/29/76/953192976.db2.gz VXLJYPPVCZJENE-APWZRJJASA-N 1 0 383.456 1.260 20 0 GDADRO Cc1sccc1CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571233882 953196615 /nfs/dbraw/zinc/19/66/15/953196615.db2.gz 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C[NH2+]C[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000178982598 530733036 /nfs/dbraw/zinc/73/30/36/530733036.db2.gz OPSPFZVBKMJGMC-GFCCVEGCSA-N 1 0 399.563 1.970 20 0 GDADRO C[NH+](C)CCNC(=O)c1cnc2ccc(I)cc2c1O ZINC000179798095 530750135 /nfs/dbraw/zinc/75/01/35/530750135.db2.gz JGOQGZFMUBSNIS-UHFFFAOYSA-N 1 0 385.205 1.424 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180188574 530760289 /nfs/dbraw/zinc/76/02/89/530760289.db2.gz RTLBZCMGNPKPKI-AWEZNQCLSA-N 1 0 394.216 1.095 20 0 GDADRO C[N@H+](CCNC(=O)CN1C(=O)COc2cc(Br)ccc21)C1CC1 ZINC000066924057 530769076 /nfs/dbraw/zinc/76/90/76/530769076.db2.gz BNFWQQLVGNMBTL-UHFFFAOYSA-N 1 0 382.258 1.385 20 0 GDADRO C[C@H](CNC(=O)c1sccc1S(=O)(=O)N1CCSCC1)[NH+](C)C ZINC000067161959 530773756 /nfs/dbraw/zinc/77/37/56/530773756.db2.gz DQZAUJLTRKUUHZ-LLVKDONJSA-N 1 0 377.557 1.166 20 0 GDADRO Cn1c(=O)cc(C[NH2+]C(C)(C)COc2ncccc2Br)n(C)c1=O ZINC000181514343 530785152 /nfs/dbraw/zinc/78/51/52/530785152.db2.gz IJLWWZUAGMMMAN-UHFFFAOYSA-N 1 0 397.273 1.189 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCN(CC)S(C)(=O)=O ZINC000066597747 530764966 /nfs/dbraw/zinc/76/49/66/530764966.db2.gz YOCKAWBZMXAOOZ-MRXNPFEDSA-N 1 0 376.567 1.612 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000069527820 530797678 /nfs/dbraw/zinc/79/76/78/530797678.db2.gz ILTUPOXCHMVSEA-CYBMUJFWSA-N 1 0 388.295 1.950 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000069636592 530798369 /nfs/dbraw/zinc/79/83/69/530798369.db2.gz YZDVUURNQMYURC-AWEZNQCLSA-N 1 0 379.592 1.428 20 0 GDADRO CN(CC(=O)NCC(C)(C)C[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000070671155 530801570 /nfs/dbraw/zinc/80/15/70/530801570.db2.gz LXKLSBUYZACKCM-UHFFFAOYSA-N 1 0 375.922 1.665 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000182599790 530802159 /nfs/dbraw/zinc/80/21/59/530802159.db2.gz SNZRYTOLRSEAEH-CQSZACIVSA-N 1 0 376.544 1.628 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000077392591 530806523 /nfs/dbraw/zinc/80/65/23/530806523.db2.gz JBSTZMTYVKGUQD-UHFFFAOYSA-N 1 0 375.922 1.607 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000068498610 530789446 /nfs/dbraw/zinc/78/94/46/530789446.db2.gz IODWIWCOXRQNKW-UHFFFAOYSA-N 1 0 382.302 1.979 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000068644042 530790357 /nfs/dbraw/zinc/79/03/57/530790357.db2.gz DQXVERDCJHGHOF-JTQLQIEISA-N 1 0 377.413 1.078 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)nc1 ZINC000182050246 530794062 /nfs/dbraw/zinc/79/40/62/530794062.db2.gz YZJUKZWXKNSALD-GFCCVEGCSA-N 1 0 381.420 1.616 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cc2cccc(Br)c2)C1 ZINC000102788518 530829901 /nfs/dbraw/zinc/82/99/01/530829901.db2.gz VSICWRIHTVUGET-AWEZNQCLSA-N 1 0 382.302 1.695 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000103162604 530833558 /nfs/dbraw/zinc/83/35/58/530833558.db2.gz PUMPFIYOHIIJKW-UHFFFAOYSA-N 1 0 385.917 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NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000107301346 530853101 /nfs/dbraw/zinc/85/31/01/530853101.db2.gz GVBISIIRPRLIKI-ZDUSSCGKSA-N 1 0 381.420 1.633 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)s1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108459429 530857741 /nfs/dbraw/zinc/85/77/41/530857741.db2.gz UBRVSUQFPGBBPV-LLVKDONJSA-N 1 0 386.315 1.841 20 0 GDADRO CC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186699160 530860037 /nfs/dbraw/zinc/86/00/37/530860037.db2.gz FPHCMUOPUDCDIY-ZDUSSCGKSA-N 1 0 376.906 1.985 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000186715070 530861262 /nfs/dbraw/zinc/86/12/62/530861262.db2.gz ORCJMPHENOPACC-GFCCVEGCSA-N 1 0 378.491 1.278 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000186747127 530861553 /nfs/dbraw/zinc/86/15/53/530861553.db2.gz VOLSGYUHCUETOC-MFKMUULPSA-N 1 0 394.324 1.776 20 0 GDADRO C[C@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[C@@H]1O ZINC000186833146 530862771 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O=C(NCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000188688470 530898571 /nfs/dbraw/zinc/89/85/71/530898571.db2.gz FWWRTBCYLOVTKV-UHFFFAOYSA-N 1 0 382.302 1.902 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)cc1Br ZINC000188750550 530900092 /nfs/dbraw/zinc/90/00/92/530900092.db2.gz LXZMCOKIYRRINN-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO C[N@H+](CCCO)C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000115546996 530900836 /nfs/dbraw/zinc/90/08/36/530900836.db2.gz DVVQMSYNZOYOOI-UHFFFAOYSA-N 1 0 385.306 1.561 20 0 GDADRO COc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)nc1Br ZINC000188761558 530900906 /nfs/dbraw/zinc/90/09/06/530900906.db2.gz OCJKEYAYIQFPMQ-NSHDSACASA-N 1 0 386.290 1.770 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188757019 530901307 /nfs/dbraw/zinc/90/13/07/530901307.db2.gz YTGKMKLMBJVMQI-GFCCVEGCSA-N 1 0 390.285 1.827 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000115591762 530901454 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C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC[NH2+]1 ZINC000188483723 530894524 /nfs/dbraw/zinc/89/45/24/530894524.db2.gz BBWRSVXWJQDOBD-CYBMUJFWSA-N 1 0 385.917 1.949 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)s1)NCC[N@@H+]1CCCOCC1 ZINC000189382937 530912123 /nfs/dbraw/zinc/91/21/23/530912123.db2.gz ILDLEJZMINKDJP-UHFFFAOYSA-N 1 0 390.303 1.079 20 0 GDADRO O=C(COc1ccc(Br)cc1F)NCC[N@@H+]1CCCOCC1 ZINC000189449327 530912742 /nfs/dbraw/zinc/91/27/42/530912742.db2.gz RWYYCCABWVCAAZ-UHFFFAOYSA-N 1 0 375.238 1.806 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000118096342 530916356 /nfs/dbraw/zinc/91/63/56/530916356.db2.gz QLEFEWXAKXBYKQ-HWRSSNJWSA-N 1 0 385.917 1.758 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000189768731 530920237 /nfs/dbraw/zinc/92/02/37/530920237.db2.gz ICXWVDBUXAMFHR-UHFFFAOYSA-N 1 0 397.317 1.484 20 0 GDADRO C[S@@](=O)Cc1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)ccc1Cl ZINC000189798688 530920854 /nfs/dbraw/zinc/92/08/54/530920854.db2.gz 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C[NH+]1CCC(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000121766884 530961647 /nfs/dbraw/zinc/96/16/47/530961647.db2.gz KCMRLQOXKFPEQF-UHFFFAOYSA-N 1 0 396.285 1.775 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192144985 530963090 /nfs/dbraw/zinc/96/30/90/530963090.db2.gz KYNLVEATTYOIDI-HOTGVXAUSA-N 1 0 378.441 1.340 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(F)cc2Br)cn1 ZINC000120128619 530936312 /nfs/dbraw/zinc/93/63/12/530936312.db2.gz BDFHLUACTOYOBV-UHFFFAOYSA-N 1 0 398.236 1.924 20 0 GDADRO C[C@H](O)C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@H](C)CO ZINC000190812262 530937928 /nfs/dbraw/zinc/93/79/28/530937928.db2.gz QYNIUEPRHLNFRV-QWRGUYRKSA-N 1 0 377.254 1.980 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190836100 530938642 /nfs/dbraw/zinc/93/86/42/530938642.db2.gz KJUWRYQGKWQNNL-QMMMGPOBSA-N 1 0 376.201 1.876 20 0 GDADRO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@H]1CO ZINC000190905160 530940081 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C[C@@H](C(=O)NCC[NH+]1CCCC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000192724336 530973105 /nfs/dbraw/zinc/97/31/05/530973105.db2.gz TYSLSWXRGLMLAK-NSHDSACASA-N 1 0 394.269 1.646 20 0 GDADRO [NH3+][C@@H]1CCN(S(=O)(=O)c2scc(Br)c2Br)C1 ZINC000122728694 530975837 /nfs/dbraw/zinc/97/58/37/530975837.db2.gz LHFMBQHIJQSBIE-RXMQYKEDSA-N 1 0 390.122 1.995 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000122931120 530977160 /nfs/dbraw/zinc/97/71/60/530977160.db2.gz WUKRYTGIYFCILN-CQSZACIVSA-N 1 0 396.329 1.860 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122953719 530978208 /nfs/dbraw/zinc/97/82/08/530978208.db2.gz ZEBPUZAKEIYFNM-MRVPVSSYSA-N 1 0 376.201 1.876 20 0 GDADRO CCOc1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)cc1Br ZINC000123113858 530979149 /nfs/dbraw/zinc/97/91/49/530979149.db2.gz WQNANBMIXVWVDV-UHFFFAOYSA-N 1 0 392.319 1.031 20 0 GDADRO CC(C)(C)c1nc2ccc(S(=O)(=O)NCCN3CC[NH2+]CC3)cc2s1 ZINC000123113663 530979444 /nfs/dbraw/zinc/97/94/44/530979444.db2.gz XCSWANWUZFCTPA-UHFFFAOYSA-N 1 0 382.555 1.777 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000193100134 530979825 /nfs/dbraw/zinc/97/98/25/530979825.db2.gz NLVNHBYZQOTKAF-UHFFFAOYSA-N 1 0 392.928 1.383 20 0 GDADRO C[C@H]([NH3+])CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000193173943 530980779 /nfs/dbraw/zinc/98/07/79/530980779.db2.gz MXSRDXJKPZBMNH-NSHDSACASA-N 1 0 394.324 1.954 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC[N@@H+]1C ZINC000123242376 530980802 /nfs/dbraw/zinc/98/08/02/530980802.db2.gz IKNUJYQFUWLCRV-KFWWJZLASA-N 1 0 385.555 1.842 20 0 GDADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cccc(F)c1I ZINC000123442373 530983852 /nfs/dbraw/zinc/98/38/52/530983852.db2.gz DBKOGAJRNXNWFE-UHFFFAOYSA-N 1 0 393.200 1.437 20 0 GDADRO COCC[NH2+]CCNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000193361716 530984576 /nfs/dbraw/zinc/98/45/76/530984576.db2.gz XTJMQKVTBUDRFH-UHFFFAOYSA-N 1 0 381.292 1.280 20 0 GDADRO CCC[NH2+]CCNS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000193343057 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CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)c(Br)c2)CC1 ZINC000193990553 530997505 /nfs/dbraw/zinc/99/75/05/530997505.db2.gz BHRRMIIVVSJYIS-UHFFFAOYSA-N 1 0 390.347 1.673 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)C1 ZINC000193391554 530985721 /nfs/dbraw/zinc/98/57/21/530985721.db2.gz PJCICWQZAITNJT-GFCCVEGCSA-N 1 0 383.290 1.891 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000193416770 530985862 /nfs/dbraw/zinc/98/58/62/530985862.db2.gz VLJHKFCVPOKTQP-LKFCYVNXSA-N 1 0 390.303 1.684 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000193418991 530986267 /nfs/dbraw/zinc/98/62/67/530986267.db2.gz YHLBICXTEJKBGD-OCCSQVGLSA-N 1 0 387.571 1.729 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000193409762 530986291 /nfs/dbraw/zinc/98/62/91/530986291.db2.gz MAAPELMPUTYNTD-ONGXEEELSA-N 1 0 393.303 1.743 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000193419019 530986782 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CC(C)C[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000236701255 531039184 /nfs/dbraw/zinc/03/91/84/531039184.db2.gz KLTQATBZHCDBJM-LLVKDONJSA-N 1 0 379.935 1.608 20 0 GDADRO O=C(C[NH2+]C1CC1)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000236717951 531039472 /nfs/dbraw/zinc/03/94/72/531039472.db2.gz ZARAODOOBLFBAZ-UHFFFAOYSA-N 1 0 381.274 1.773 20 0 GDADRO O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236761607 531039904 /nfs/dbraw/zinc/03/99/04/531039904.db2.gz CNXNSTGAHNQCAX-LLVKDONJSA-N 1 0 394.269 1.551 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000236830115 531040264 /nfs/dbraw/zinc/04/02/64/531040264.db2.gz IVRJYNJEKSKEOA-HNNXBMFYSA-N 1 0 385.555 1.749 20 0 GDADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000236822142 531040325 /nfs/dbraw/zinc/04/03/25/531040325.db2.gz AJBIFPULRCKRKE-UHFFFAOYSA-N 1 0 381.420 1.775 20 0 GDADRO CC(C)[C@@](C)(C[NH3+])NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000236813426 531040341 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COCC[NH2+]CCNC(=O)/C=C/c1cc(Br)c2c(c1)OCCO2 ZINC000237314371 531044502 /nfs/dbraw/zinc/04/45/02/531044502.db2.gz HKUQVQXDOKORCQ-NSCUHMNNSA-N 1 0 385.258 1.586 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000237260989 531044824 /nfs/dbraw/zinc/04/48/24/531044824.db2.gz RMQMSPFOXKGBAY-UHFFFAOYSA-N 1 0 377.304 1.679 20 0 GDADRO CN(CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000237295963 531044871 /nfs/dbraw/zinc/04/48/71/531044871.db2.gz VETILZWISRXMNC-YIONKMFJSA-N 1 0 385.917 1.702 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[NH2+]CC1 ZINC000237481888 531046538 /nfs/dbraw/zinc/04/65/38/531046538.db2.gz CIMYQUQBCSJWLU-NSHDSACASA-N 1 0 375.288 1.291 20 0 GDADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCN1CC[NH2+]CC1 ZINC000237467386 531046982 /nfs/dbraw/zinc/04/69/82/531046982.db2.gz JNPZYGRTVGBABG-LLVKDONJSA-N 1 0 390.709 1.891 20 0 GDADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000237495069 531047102 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ZINC000433350250 531221358 /nfs/dbraw/zinc/22/13/58/531221358.db2.gz FCCCVGKUGCVKAS-UHFFFAOYSA-N 1 0 388.555 1.726 20 0 GDADRO CC(C)CN(C(=O)[C@H](C)NS(=O)(=O)c1cccs1)C1CC[NH+](C)CC1 ZINC000265047339 531224848 /nfs/dbraw/zinc/22/48/48/531224848.db2.gz NTNFJRMDWSCWJM-AWEZNQCLSA-N 1 0 387.571 1.994 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CCSC1 ZINC000290316814 531223666 /nfs/dbraw/zinc/22/36/66/531223666.db2.gz HSCNOXVSLYIFIM-HNNXBMFYSA-N 1 0 391.946 1.172 20 0 GDADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000472471765 531230313 /nfs/dbraw/zinc/23/03/13/531230313.db2.gz BJLWYOUQTIRVMU-HNNXBMFYSA-N 1 0 383.286 1.716 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+]C[C@H](O)COc2ccccc2Cl)CC1 ZINC000520567659 531231061 /nfs/dbraw/zinc/23/10/61/531231061.db2.gz REJVEDVFZBQUPI-HNNXBMFYSA-N 1 0 390.933 1.874 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000290485223 531235706 /nfs/dbraw/zinc/23/57/06/531235706.db2.gz VMIAYRSGNGYHAA-LLVKDONJSA-N 1 0 387.303 1.468 20 0 GDADRO COC(=O)CC[N@H+](CCC(=O)NC(N)=O)Cc1cccc(Br)c1 ZINC000276878205 531236240 /nfs/dbraw/zinc/23/62/40/531236240.db2.gz ZBTFBZQGWFBKOO-UHFFFAOYSA-N 1 0 386.246 1.399 20 0 GDADRO C[N@H+](C[C@H](O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)C1CC1 ZINC000290500965 531236676 /nfs/dbraw/zinc/23/66/76/531236676.db2.gz AQVKJKJUDLMLJE-HNNXBMFYSA-N 1 0 385.555 1.803 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCS[C@H](C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000276883237 531237066 /nfs/dbraw/zinc/23/70/66/531237066.db2.gz FEDZMIDSJLJGHG-MCIONIFRSA-N 1 0 385.555 1.727 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCSC[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000276891224 531237848 /nfs/dbraw/zinc/23/78/48/531237848.db2.gz NPLYRZSIRSJGEL-MJBXVCDLSA-N 1 0 385.555 1.585 20 0 GDADRO Cn1cc(C[C@@H](CO)C[NH2+]CCC(=O)Nc2ccc(Br)cc2)cn1 ZINC000521044294 531238662 /nfs/dbraw/zinc/23/86/62/531238662.db2.gz VOBZXZHKPCSSOF-CQSZACIVSA-N 1 0 395.301 1.952 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c(C)s1 ZINC000521030773 531239257 /nfs/dbraw/zinc/23/92/57/531239257.db2.gz AJRBRYCRLYJZLB-INIZCTEOSA-N 1 0 386.514 1.976 20 0 GDADRO CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C[C@H]2CSCC[NH2+]2)cn1 ZINC000434861235 531250156 /nfs/dbraw/zinc/25/01/56/531250156.db2.gz LTIFJQLRKRVRJK-LBPRGKRZSA-N 1 0 380.495 1.309 20 0 GDADRO Cn1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1=O ZINC000277036068 531251351 /nfs/dbraw/zinc/25/13/51/531251351.db2.gz DHJUGOKCZJTXLP-GFCCVEGCSA-N 1 0 399.289 1.029 20 0 GDADRO C[NH+]1CCC(NC(=O)NC[C@H](CO)Cc2ccccc2Br)CC1 ZINC000277038512 531251775 /nfs/dbraw/zinc/25/17/75/531251775.db2.gz OVFCZDMHOYPEKW-CYBMUJFWSA-N 1 0 384.318 1.994 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)NCC1CC[NH2+]CC1 ZINC000521217908 531241156 /nfs/dbraw/zinc/24/11/56/531241156.db2.gz CKPFOCVWDPHRQX-UHFFFAOYSA-N 1 0 388.295 1.742 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276939148 531241210 /nfs/dbraw/zinc/24/12/10/531241210.db2.gz BTEIJHYKGZQZOA-HIFRSBDPSA-N 1 0 377.869 1.280 20 0 GDADRO COCC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)CC(C)C ZINC000472798697 531242009 /nfs/dbraw/zinc/24/20/09/531242009.db2.gz XMISLARCMZUYJF-UHFFFAOYSA-N 1 0 377.894 1.530 20 0 GDADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]CCCOc2cccc(Cl)c2)C1 ZINC000265370733 531246542 /nfs/dbraw/zinc/24/65/42/531246542.db2.gz OMXJJCNBDOHVAJ-SJORKVTESA-N 1 0 388.917 1.196 20 0 GDADRO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000290791462 531256783 /nfs/dbraw/zinc/25/67/83/531256783.db2.gz QLTIELXENJNGSG-OAHLLOKOSA-N 1 0 376.500 1.399 20 0 GDADRO C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000349498622 531257498 /nfs/dbraw/zinc/25/74/98/531257498.db2.gz CQYSDLONNFYUCR-ZDUSSCGKSA-N 1 0 390.531 1.094 20 0 GDADRO COc1ccc(Br)c(CS(=O)(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000409583393 531257911 /nfs/dbraw/zinc/25/79/11/531257911.db2.gz DSXAIBONNMTCTK-GFCCVEGCSA-N 1 0 377.304 1.971 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000265488214 531258929 /nfs/dbraw/zinc/25/89/29/531258929.db2.gz ANKNHYUJLBJQDC-AWEZNQCLSA-N 1 0 399.289 1.408 20 0 GDADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000522828935 531259792 /nfs/dbraw/zinc/25/97/92/531259792.db2.gz DBXSDXJVHGXGLY-LLVKDONJSA-N 1 0 384.274 1.854 20 0 GDADRO C[NH+](C)CCOCCNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000473689211 531260648 /nfs/dbraw/zinc/26/06/48/531260648.db2.gz GFXKLVVBLWCCHO-UHFFFAOYSA-N 1 0 378.882 1.411 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000473852745 531261862 /nfs/dbraw/zinc/26/18/62/531261862.db2.gz UWNJPLVTYWBDJL-CYBMUJFWSA-N 1 0 375.922 1.855 20 0 GDADRO CC1(C)CC[N@H+](CC(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000522012373 531253676 /nfs/dbraw/zinc/25/36/76/531253676.db2.gz KXEQIKUVVNHKNL-CQSZACIVSA-N 1 0 385.555 1.607 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000435104592 531255492 /nfs/dbraw/zinc/25/54/92/531255492.db2.gz GPGPNYALVUZJEH-CYBMUJFWSA-N 1 0 376.548 1.398 20 0 GDADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)CCS(=O)(=O)CC(C)C ZINC000435597944 531264100 /nfs/dbraw/zinc/26/41/00/531264100.db2.gz OOSXTXWPHFFCIP-OAHLLOKOSA-N 1 0 387.571 1.851 20 0 GDADRO CCOC(=O)c1ccc(C)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000473942911 531264506 /nfs/dbraw/zinc/26/45/06/531264506.db2.gz YLILZFLBGWZSOG-LSDHHAIUSA-N 1 0 386.539 1.838 20 0 GDADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)CNC(=O)c1cccs1 ZINC000435600263 531264772 /nfs/dbraw/zinc/26/47/72/531264772.db2.gz ZSUATWXIVLIMBB-ZDUSSCGKSA-N 1 0 378.523 1.881 20 0 GDADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000290920136 531265231 /nfs/dbraw/zinc/26/52/31/531265231.db2.gz NTYZBTIJZIJHAB-UKRRQHHQSA-N 1 0 385.917 1.704 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2cncc(Br)c2)CCOCC1 ZINC000265605965 531270075 /nfs/dbraw/zinc/27/00/75/531270075.db2.gz MTIFXTOYHJBQJX-UHFFFAOYSA-N 1 0 378.292 1.233 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000409938549 531270916 /nfs/dbraw/zinc/27/09/16/531270916.db2.gz SHILFRLKVHCZHM-RYQLBKOJSA-N 1 0 379.298 1.836 20 0 GDADRO CC(C)[NH+](CCCNC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O)C(C)C ZINC000410060716 531274720 /nfs/dbraw/zinc/27/47/20/531274720.db2.gz BJAGKKCRVCPWSS-CVEARBPZSA-N 1 0 376.567 1.512 20 0 GDADRO C[C@H]1CC[N@H+](CCNC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000524775283 531280180 /nfs/dbraw/zinc/28/01/80/531280180.db2.gz CODJSWZPFWXXNA-LBPRGKRZSA-N 1 0 393.285 1.617 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000291238854 531281264 /nfs/dbraw/zinc/28/12/64/531281264.db2.gz UXFNFHNFALIMFR-LLVKDONJSA-N 1 0 392.880 1.896 20 0 GDADRO Cc1c(Br)cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(=O)n1C ZINC000277436469 531282574 /nfs/dbraw/zinc/28/25/74/531282574.db2.gz MXSJVEGBCZVWBO-GFCCVEGCSA-N 1 0 399.333 1.070 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000265820064 531289855 /nfs/dbraw/zinc/28/98/55/531289855.db2.gz HWSCLDMIJDENSK-GFCCVEGCSA-N 1 0 384.889 1.933 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000277523368 531290539 /nfs/dbraw/zinc/29/05/39/531290539.db2.gz LDOBTVWAXBNVLD-KOLCDFICSA-N 1 0 384.221 1.667 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000437189384 531291983 /nfs/dbraw/zinc/29/19/83/531291983.db2.gz KYXAALGEFYGQNK-HNNXBMFYSA-N 1 0 387.933 1.951 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C(C)(C)C)cc[nH+]1 ZINC000349526953 531295913 /nfs/dbraw/zinc/29/59/13/531295913.db2.gz UTUXEMPKCNPYOJ-AWEZNQCLSA-N 1 0 391.559 1.640 20 0 GDADRO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCSC[C@@H]2c2nccs2)CC1 ZINC000411021277 531300232 /nfs/dbraw/zinc/30/02/32/531300232.db2.gz WRNQPDMIIHOAAW-CQSZACIVSA-N 1 0 382.555 1.560 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cs1 ZINC000525938282 531300575 /nfs/dbraw/zinc/30/05/75/531300575.db2.gz MRYRHGATLRMDNO-BETUJISGSA-N 1 0 386.543 1.157 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000525962282 531301507 /nfs/dbraw/zinc/30/15/07/531301507.db2.gz MIKVHLRCTKHLFR-LSDHHAIUSA-N 1 0 388.921 1.405 20 0 GDADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277669615 531302069 /nfs/dbraw/zinc/30/20/69/531302069.db2.gz FNEFPDKSHBIVAB-CABZTGNLSA-N 1 0 379.404 1.811 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000475736737 531302523 /nfs/dbraw/zinc/30/25/23/531302523.db2.gz IPQFVTYWLGGCKN-ZFWWWQNUSA-N 1 0 376.906 1.218 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@]2(C)C(C)C)cc[nH+]1 ZINC000349534304 531302955 /nfs/dbraw/zinc/30/29/55/531302955.db2.gz HLVCTLDSUVOYBR-HZPDHXFCSA-N 1 0 389.543 1.298 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(Br)c(C)n(C)c2=O)C[C@@H]1[NH+](C)C ZINC000277711796 531305655 /nfs/dbraw/zinc/30/56/55/531305655.db2.gz JABGQQROKCAGJK-QWHCGFSZSA-N 1 0 388.331 1.574 20 0 GDADRO Cc1nccc(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1Br ZINC000527089535 531314150 /nfs/dbraw/zinc/31/41/50/531314150.db2.gz IQGPHZVKBXUFNW-ZDUSSCGKSA-N 1 0 385.306 1.789 20 0 GDADRO CSCCC[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000439472915 531323084 /nfs/dbraw/zinc/32/30/84/531323084.db2.gz UBKUVHDWNFOJDH-UHFFFAOYSA-N 1 0 388.555 1.771 20 0 GDADRO CNC(=O)NC(=O)CC[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000411449415 531323323 /nfs/dbraw/zinc/32/33/23/531323323.db2.gz GFJWVOSBUIVSFF-VIFPVBQESA-N 1 0 386.246 1.717 20 0 GDADRO NS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000411456425 531324178 /nfs/dbraw/zinc/32/41/78/531324178.db2.gz ZLSALTDDPFDNFW-CYBMUJFWSA-N 1 0 379.404 1.787 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000477100836 531324426 /nfs/dbraw/zinc/32/44/26/531324426.db2.gz OXEXVYKOYFAHHJ-VXGBXAGGSA-N 1 0 385.306 1.868 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000278149388 531338000 /nfs/dbraw/zinc/33/80/00/531338000.db2.gz CCSKXRCTIGUYOO-AWEZNQCLSA-N 1 0 375.560 1.698 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c(F)c1 ZINC000440417671 531338365 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386.539 1.374 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)c(Cl)cc21 ZINC000528047180 531340381 /nfs/dbraw/zinc/34/03/81/531340381.db2.gz LNZOLGYGMVESQE-KBPBESRZSA-N 1 0 383.901 1.479 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000528055887 531341583 /nfs/dbraw/zinc/34/15/83/531341583.db2.gz IADRRGJVLQHUOJ-LBPRGKRZSA-N 1 0 392.905 1.540 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000440805749 531345498 /nfs/dbraw/zinc/34/54/98/531345498.db2.gz DZGBGMGNSJSQPZ-SKDRFNHKSA-N 1 0 380.388 1.768 20 0 GDADRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000440829181 531345774 /nfs/dbraw/zinc/34/57/74/531345774.db2.gz AFJNMKKTCLGKDE-UHFFFAOYSA-N 1 0 391.280 1.379 20 0 GDADRO COC(=O)[C@H]1CN(Cc2cc3c(cc2Br)OCO3)CC[N@H+](C)C1 ZINC000411913794 531345933 /nfs/dbraw/zinc/34/59/33/531345933.db2.gz WXRPMYPWMAFUCW-GFCCVEGCSA-N 1 0 385.258 1.714 20 0 GDADRO CN(CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCN(S(C)(=O)=O)C1 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394.693 1.517 20 0 GDADRO CC[C@H](C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)[NH+](CC)CC ZINC000441400461 531359779 /nfs/dbraw/zinc/35/97/79/531359779.db2.gz LIIWTGOUPMYLTB-CQSZACIVSA-N 1 0 377.457 1.480 20 0 GDADRO Cc1sc2ncnc(SCC(=O)NCC3(O)CC[NH+](C)CC3)c2c1C ZINC000266724480 531365435 /nfs/dbraw/zinc/36/54/35/531365435.db2.gz MVFXLWIWZYGEKZ-UHFFFAOYSA-N 1 0 380.539 1.973 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000441846757 531365669 /nfs/dbraw/zinc/36/56/69/531365669.db2.gz QNOCSJPIBRUNJP-UHFFFAOYSA-N 1 0 392.681 1.735 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000266659238 531361141 /nfs/dbraw/zinc/36/11/41/531361141.db2.gz OLFDKPLFKJRODR-ZDUSSCGKSA-N 1 0 384.274 1.533 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2ccc(I)c(F)c2)CC1 ZINC000266718847 531363988 /nfs/dbraw/zinc/36/39/88/531363988.db2.gz LKPKUOWVVYOZTQ-UHFFFAOYSA-N 1 0 392.212 1.617 20 0 GDADRO COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000480651285 531373705 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O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)c2nonc21 ZINC000292811031 531380775 /nfs/dbraw/zinc/38/07/75/531380775.db2.gz SXEFYDMVSBKWNA-LLVKDONJSA-N 1 0 388.877 1.391 20 0 GDADRO CN(Cc1cnc2ccc(Br)cn12)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292824684 531381880 /nfs/dbraw/zinc/38/18/80/531381880.db2.gz QKACFACVAGKZSJ-LBPRGKRZSA-N 1 0 387.303 1.563 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000266979958 531382695 /nfs/dbraw/zinc/38/26/95/531382695.db2.gz YVXKFMQJMINSPF-UHFFFAOYSA-N 1 0 390.527 1.702 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)NCc2csc(Br)c2)CC[N@H+](C)C1 ZINC000413125875 531396732 /nfs/dbraw/zinc/39/67/32/531396732.db2.gz JLZSETHDQMWOJF-LLVKDONJSA-N 1 0 390.303 1.757 20 0 GDADRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000444153283 531396788 /nfs/dbraw/zinc/39/67/88/531396788.db2.gz QNAQBHDWUAHXIJ-CXAGYDPISA-N 1 0 383.901 1.173 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@H](C)[C@H]2C)cc[nH+]1 ZINC000349610281 531397514 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O=c1cc(C[N@@H+](CCO)Cc2cccc(Br)c2)[nH]c2ccnn21 ZINC000488164327 531482496 /nfs/dbraw/zinc/48/24/96/531482496.db2.gz QETYRDKDJNUOSZ-UHFFFAOYSA-N 1 0 377.242 1.780 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415398422 531482592 /nfs/dbraw/zinc/48/25/92/531482592.db2.gz SJGVLHQGRFCJSM-QMMMGPOBSA-N 1 0 376.201 1.782 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268191040 531482840 /nfs/dbraw/zinc/48/28/40/531482840.db2.gz POCKZYACXIDNQD-HZMBPMFUSA-N 1 0 396.285 1.995 20 0 GDADRO Cc1cc(F)c(NC(=O)N(C)C[C@@H](O)C[NH3+])c(I)c1 ZINC000415411806 531484451 /nfs/dbraw/zinc/48/44/51/531484451.db2.gz XFBCFGUGVFJOSZ-QMMMGPOBSA-N 1 0 381.189 1.522 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000415414097 531484584 /nfs/dbraw/zinc/48/45/84/531484584.db2.gz JIVBORHDNGTMGH-SNVBAGLBSA-N 1 0 398.257 1.385 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1Br ZINC000415430263 531484743 /nfs/dbraw/zinc/48/47/43/531484743.db2.gz JHNOPSQXBJFUJI-SECBINFHSA-N 1 0 386.246 1.225 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000415437294 531486273 /nfs/dbraw/zinc/48/62/73/531486273.db2.gz ZINLBGULVKWSOZ-JTQLQIEISA-N 1 0 375.878 1.172 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268221410 531486395 /nfs/dbraw/zinc/48/63/95/531486395.db2.gz QLNLMSPNSMVYBW-MQIPJXDCSA-N 1 0 385.917 1.606 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000268230333 531486422 /nfs/dbraw/zinc/48/64/22/531486422.db2.gz KXMXFKFCVBKWTP-UHFFFAOYSA-N 1 0 390.527 1.656 20 0 GDADRO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000488436872 531486525 /nfs/dbraw/zinc/48/65/25/531486525.db2.gz BLXDFWGCEQMVGD-HUUCEWRRSA-N 1 0 376.567 1.418 20 0 GDADRO CN(c1ccccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1)S(C)(=O)=O ZINC000268238360 531487405 /nfs/dbraw/zinc/48/74/05/531487405.db2.gz UJIOIPAYXWTRIX-INIZCTEOSA-N 1 0 386.543 1.641 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C1CC1 ZINC000415451401 531487837 /nfs/dbraw/zinc/48/78/37/531487837.db2.gz KPQPBRWYOORLSU-LBPRGKRZSA-N 1 0 382.251 1.971 20 0 GDADRO O=C(NCCCCn1cc(Br)cn1)NCC[N@@H+]1CCCOCC1 ZINC000280323432 531487896 /nfs/dbraw/zinc/48/78/96/531487896.db2.gz ISUYKVGRQKFHQQ-UHFFFAOYSA-N 1 0 388.310 1.447 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415467220 531488476 /nfs/dbraw/zinc/48/84/76/531488476.db2.gz IFGIYCWZPUGXAU-UHFFFAOYSA-N 1 0 395.628 1.737 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(I)c(F)cc2F)C1 ZINC000545153754 531488705 /nfs/dbraw/zinc/48/87/05/531488705.db2.gz VCBIIKUUQSJXFI-CYBMUJFWSA-N 1 0 396.175 1.366 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[C@H]1[NH3+] ZINC000415466015 531488958 /nfs/dbraw/zinc/48/89/58/531488958.db2.gz STJJZDKEBLPCRU-OIBJUYFYSA-N 1 0 376.201 1.862 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415469251 531489097 /nfs/dbraw/zinc/48/90/97/531489097.db2.gz LIBRGMBWKFSPHQ-UHFFFAOYSA-N 1 0 379.173 1.222 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415491397 531489883 /nfs/dbraw/zinc/48/98/83/531489883.db2.gz KOYOZLMLNHXJJL-JTQLQIEISA-N 1 0 381.889 1.951 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1c(C)cc(Br)cc1OC ZINC000415498451 531490630 /nfs/dbraw/zinc/49/06/30/531490630.db2.gz QJPKJQUVBDAZFE-LBPRGKRZSA-N 1 0 384.274 1.915 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415500670 531491064 /nfs/dbraw/zinc/49/10/64/531491064.db2.gz SWLMREZFNODHKN-JTQLQIEISA-N 1 0 392.257 1.541 20 0 GDADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccncc1I ZINC000545426739 531491266 /nfs/dbraw/zinc/49/12/66/531491266.db2.gz GSIHDQWPUSHNPA-ZDUSSCGKSA-N 1 0 388.253 1.912 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415544691 531492619 /nfs/dbraw/zinc/49/26/19/531492619.db2.gz HHENXKFFBUWZPS-UHFFFAOYSA-N 1 0 378.654 1.393 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415542271 531492657 /nfs/dbraw/zinc/49/26/57/531492657.db2.gz PQUBKQZUOWGVMS-VHSXEESVSA-N 1 0 392.257 1.527 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415542388 531492720 /nfs/dbraw/zinc/49/27/20/531492720.db2.gz UUNSGJSKDALLOU-UHFFFAOYSA-N 1 0 395.257 1.288 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)ccc1Br ZINC000415671508 531512060 /nfs/dbraw/zinc/51/20/60/531512060.db2.gz GBJTZGNCQVSMCT-LBPRGKRZSA-N 1 0 383.290 1.985 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc(I)c1 ZINC000415672124 531512168 /nfs/dbraw/zinc/51/21/68/531512168.db2.gz JYHMFZFHQNKDHH-CABZTGNLSA-N 1 0 387.221 1.486 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc(I)c1 ZINC000415666746 531512495 /nfs/dbraw/zinc/51/24/95/531512495.db2.gz XHTFAJFHCXCESP-SKDRFNHKSA-N 1 0 387.221 1.344 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc(I)c1 ZINC000415666744 531512546 /nfs/dbraw/zinc/51/25/46/531512546.db2.gz XHTFAJFHCXCESP-CABZTGNLSA-N 1 0 387.221 1.344 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415685951 531513646 /nfs/dbraw/zinc/51/36/46/531513646.db2.gz HFUHHCZLNALFSQ-INIZCTEOSA-N 1 0 384.274 1.984 20 0 GDADRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000635853260 531515556 /nfs/dbraw/zinc/51/55/56/531515556.db2.gz FDIJKOXQGYITHV-UHFFFAOYSA-N 1 0 388.917 1.718 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2c(F)cc(Cl)c(C)c2F)CCC[NH2+]1 ZINC000415713560 531518569 /nfs/dbraw/zinc/51/85/69/531518569.db2.gz XCHOPLPONGFHHH-INIZCTEOSA-N 1 0 375.803 1.750 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415554548 531494374 /nfs/dbraw/zinc/49/43/74/531494374.db2.gz HEUUFUHJSCLMFN-QWRGUYRKSA-N 1 0 384.274 1.995 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1Br ZINC000415565251 531495290 /nfs/dbraw/zinc/49/52/90/531495290.db2.gz DJHXXOOKAPDYMK-INIZCTEOSA-N 1 0 384.274 1.902 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415561635 531495331 /nfs/dbraw/zinc/49/53/31/531495331.db2.gz GIPMGLWGOVUPKB-SFYZADRCSA-N 1 0 376.201 1.862 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)[C@@H](C)C[NH2+]1 ZINC000415578227 531496515 /nfs/dbraw/zinc/49/65/15/531496515.db2.gz ZTWLVVCZGZYHIV-UWVGGRQHSA-N 1 0 392.257 1.540 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415574706 531497190 /nfs/dbraw/zinc/49/71/90/531497190.db2.gz DSRRJJWBBHDVAM-MRXNPFEDSA-N 1 0 384.274 1.902 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1c(F)cccc1I ZINC000268355835 531497672 /nfs/dbraw/zinc/49/76/72/531497672.db2.gz BCKAZFKDBHZWHM-SNVBAGLBSA-N 1 0 391.228 1.406 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3nc(CC(F)(F)F)cs3)C[C@H]21 ZINC000415588284 531498190 /nfs/dbraw/zinc/49/81/90/531498190.db2.gz XPLQYYPBDCUPHN-JMJZKYOTSA-N 1 0 376.404 1.772 20 0 GDADRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280449974 531499090 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531523724 /nfs/dbraw/zinc/52/37/24/531523724.db2.gz QCGYFXAVGPGKME-GHMZBOCLSA-N 1 0 382.258 1.464 20 0 GDADRO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415758345 531525367 /nfs/dbraw/zinc/52/53/67/531525367.db2.gz IFHKQBFUHLYVBL-GDGBQDQQSA-N 1 0 377.750 1.554 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(I)ccc1C ZINC000415794043 531532650 /nfs/dbraw/zinc/53/26/50/531532650.db2.gz VKMMMKSWEYATGA-JTQLQIEISA-N 1 0 375.210 1.392 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000557839438 531527765 /nfs/dbraw/zinc/52/77/65/531527765.db2.gz XUFGQNILPLZIMW-CQSZACIVSA-N 1 0 388.559 1.398 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccccc1I)C(F)F ZINC000415779998 531528309 /nfs/dbraw/zinc/52/83/09/531528309.db2.gz AQKGDWGYCFLOCY-SECBINFHSA-N 1 0 397.163 1.328 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000582032462 531528392 /nfs/dbraw/zinc/52/83/92/531528392.db2.gz JDRYKYOTMVHPGS-SNVBAGLBSA-N 1 0 392.308 1.625 20 0 GDADRO COc1cc(I)ccc1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415776184 531528460 /nfs/dbraw/zinc/52/84/60/531528460.db2.gz WJIBODRAFXFGNF-SNVBAGLBSA-N 1 0 391.209 1.491 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000415779622 531528633 /nfs/dbraw/zinc/52/86/33/531528633.db2.gz HYMODAZNWWWOBR-VHSXEESVSA-N 1 0 384.267 2.278 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1 ZINC000364036780 531529756 /nfs/dbraw/zinc/52/97/56/531529756.db2.gz KZKQZMNYAODGMC-ZNMIVQPWSA-N 1 0 383.539 1.563 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000415785020 531530177 /nfs/dbraw/zinc/53/01/77/531530177.db2.gz OPTSKPCNECKGQD-JTQLQIEISA-N 1 0 389.237 1.782 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280722628 531531423 /nfs/dbraw/zinc/53/14/23/531531423.db2.gz FWYLWNCZKXWABF-GOEBONIOSA-N 1 0 376.544 1.388 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415792900 531531503 /nfs/dbraw/zinc/53/15/03/531531503.db2.gz UAURVDSGKSKZLP-GHMZBOCLSA-N 1 0 383.290 1.840 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000415790557 531531944 /nfs/dbraw/zinc/53/19/44/531531944.db2.gz PMNGEZGTZWIBGK-SECBINFHSA-N 1 0 382.180 1.934 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])c(I)c1 ZINC000415791586 531532103 /nfs/dbraw/zinc/53/21/03/531532103.db2.gz SMWSSJNUPIEUHA-JGVFFNPUSA-N 1 0 391.209 1.090 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415821030 531537467 /nfs/dbraw/zinc/53/74/67/531537467.db2.gz DYYDAJQLMLIIQI-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO Cn1c2ccc(C[NH2+]C[C@@H]3CCCC[C@H]3NS(C)(=O)=O)cc2sc1=O ZINC000552190152 531553302 /nfs/dbraw/zinc/55/33/02/531553302.db2.gz ZJTTYSDWMZJKDY-UONOGXRCSA-N 1 0 383.539 1.798 20 0 GDADRO COc1cc(NC(=O)C(=O)NC(C)(C)C[NH3+])c(Cl)cc1Br ZINC000659079809 531537748 /nfs/dbraw/zinc/53/77/48/531537748.db2.gz XSMGBHILBQVBBJ-UHFFFAOYSA-N 1 0 378.654 1.903 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c(Cl)cc1Br ZINC000659075988 531538319 /nfs/dbraw/zinc/53/83/19/531538319.db2.gz VIQYVRKWYZAPRB-QMMMGPOBSA-N 1 0 390.665 1.999 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415828530 531538330 /nfs/dbraw/zinc/53/83/30/531538330.db2.gz FXUWLMKFNITZIH-LBPRGKRZSA-N 1 0 379.766 1.792 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c(Cl)cc1Br ZINC000659081444 531538389 /nfs/dbraw/zinc/53/83/89/531538389.db2.gz MSTAJEMGZKHRTI-JTQLQIEISA-N 1 0 390.665 1.903 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415833277 531538723 /nfs/dbraw/zinc/53/87/23/531538723.db2.gz MOGICKBLQKWGNK-IONNQARKSA-N 1 0 376.201 1.909 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2I)C1 ZINC000415831236 531539091 /nfs/dbraw/zinc/53/90/91/531539091.db2.gz HMDWQELWNZFVFY-UWVGGRQHSA-N 1 0 387.221 1.473 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C[C@H]1[NH3+] ZINC000415831522 531539254 /nfs/dbraw/zinc/53/92/54/531539254.db2.gz FVMAKJNPGHZFLS-DGCLKSJQSA-N 1 0 382.917 1.637 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000280780489 531540233 /nfs/dbraw/zinc/54/02/33/531540233.db2.gz FPXNUZZFMVSZFG-WFASDCNBSA-N 1 0 397.317 1.972 20 0 GDADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415838047 531540757 /nfs/dbraw/zinc/54/07/57/531540757.db2.gz RAHJBFSBPQQQHQ-VIFPVBQESA-N 1 0 376.240 1.435 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000611784982 531540933 /nfs/dbraw/zinc/54/09/33/531540933.db2.gz HUVSYLLYLHAJJH-UONOGXRCSA-N 1 0 376.475 1.278 20 0 GDADRO CC[NH+]1CCN(CC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000558036707 531542022 /nfs/dbraw/zinc/54/20/22/531542022.db2.gz UIDDDXQAANNLRO-OAHLLOKOSA-N 1 0 388.281 1.375 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415841624 531542183 /nfs/dbraw/zinc/54/21/83/531542183.db2.gz VSMAELPCIPPYSZ-VIFPVBQESA-N 1 0 392.200 1.161 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)C2)C1 ZINC000558032348 531542889 /nfs/dbraw/zinc/54/28/89/531542889.db2.gz WMEBIZSTIUDPQX-INIZCTEOSA-N 1 0 391.273 1.593 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCO1 ZINC000415861042 531544545 /nfs/dbraw/zinc/54/45/45/531544545.db2.gz OFVJKCHGJXUUGQ-JTQLQIEISA-N 1 0 377.775 1.456 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCCO1 ZINC000415860578 531544931 /nfs/dbraw/zinc/54/49/31/531544931.db2.gz NGLQCOLPWVVIFF-JTQLQIEISA-N 1 0 379.766 1.874 20 0 GDADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)n2)s1 ZINC000415858553 531545329 /nfs/dbraw/zinc/54/53/29/531545329.db2.gz KEHKYXRCRAHOHW-LLVKDONJSA-N 1 0 380.495 1.695 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCc2ccc(Br)cc2)n1 ZINC000659456155 531547461 /nfs/dbraw/zinc/54/74/61/531547461.db2.gz NVDSHWURZBRWLJ-UHFFFAOYSA-N 1 0 380.246 1.445 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000659453881 531548165 /nfs/dbraw/zinc/54/81/65/531548165.db2.gz UYBDPGSXGRNNCQ-LBPRGKRZSA-N 1 0 385.306 1.705 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415875829 531548645 /nfs/dbraw/zinc/54/86/45/531548645.db2.gz ZWFHHDIDWRLVEC-IJLUTSLNSA-N 1 0 396.285 1.901 20 0 GDADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC[C@H]2CCCCS2(=O)=O)[C@H](C(F)(F)F)C1 ZINC000551947783 531549014 /nfs/dbraw/zinc/54/90/14/531549014.db2.gz SNLPAYWPVJXIFR-JHJVBQTASA-N 1 0 384.464 1.979 20 0 GDADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCOC4(C[NH2+]C4)C3)n2)s1 ZINC000415893615 531549498 /nfs/dbraw/zinc/54/94/98/531549498.db2.gz NKSFMXSOADXAQI-UHFFFAOYSA-N 1 0 378.479 1.319 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415972627 531551644 /nfs/dbraw/zinc/55/16/44/531551644.db2.gz PLEGHLGDBUDNOH-LLVKDONJSA-N 1 0 380.392 1.320 20 0 GDADRO NC(=O)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Cc1ccccc1Cl ZINC000416002254 531551999 /nfs/dbraw/zinc/55/19/99/531551999.db2.gz DLGKAQFKXASHTM-PWSUYJOCSA-N 1 0 380.798 1.563 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000659689985 531551951 /nfs/dbraw/zinc/55/19/51/531551951.db2.gz LLAOVFSPDSXNKF-DOMZBBRYSA-N 1 0 382.302 1.694 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2sccc2Cl)CC1 ZINC000451131450 531552731 /nfs/dbraw/zinc/55/27/31/531552731.db2.gz RHHRTLGGYYVBRF-UHFFFAOYSA-N 1 0 379.935 1.480 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659685954 531552977 /nfs/dbraw/zinc/55/29/77/531552977.db2.gz VYNHHTHSNFVPFY-SNVBAGLBSA-N 1 0 388.281 1.831 20 0 GDADRO Cc1c(C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)nnn1C ZINC000582709793 531552978 /nfs/dbraw/zinc/55/29/78/531552978.db2.gz REUIRBDEIBLNBZ-UHFFFAOYSA-N 1 0 394.277 1.285 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1)[C@H](C)[NH3+] ZINC000415796172 531533442 /nfs/dbraw/zinc/53/34/42/531533442.db2.gz XJINPICJMRKHCJ-VHSXEESVSA-N 1 0 380.246 1.425 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)NCC2(COC)CC[NH2+]CC2)c1 ZINC000582062429 531533531 /nfs/dbraw/zinc/53/35/31/531533531.db2.gz JBSLKRACELANJB-UHFFFAOYSA-N 1 0 376.906 1.781 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415805624 531533744 /nfs/dbraw/zinc/53/37/44/531533744.db2.gz KTPYHHPQVRCOKH-RKDXNWHRSA-N 1 0 375.210 1.390 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000551167792 531534990 /nfs/dbraw/zinc/53/49/90/531534990.db2.gz RVEGCDOMRMZBDW-ZDUSSCGKSA-N 1 0 387.468 1.822 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415818466 531535399 /nfs/dbraw/zinc/53/53/99/531535399.db2.gz ULAFAZMFJIYZIS-UHFFFAOYSA-N 1 0 388.251 1.929 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)NCCS(N)(=O)=O)c1ccccc1Cl ZINC000611664417 531535373 /nfs/dbraw/zinc/53/53/73/531535373.db2.gz JJZXMSYPKLIFGJ-AWEZNQCLSA-N 1 0 376.910 1.311 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ncc1Br ZINC000415816846 531536064 /nfs/dbraw/zinc/53/60/64/531536064.db2.gz HQUIRWLMYAQCIW-STQMWFEESA-N 1 0 395.301 1.939 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1Br ZINC000415820544 531536186 /nfs/dbraw/zinc/53/61/86/531536186.db2.gz BTKLVXIQWIEHOT-UHFFFAOYSA-N 1 0 397.317 1.660 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000415809450 531536260 /nfs/dbraw/zinc/53/62/60/531536260.db2.gz PFNYEIVVELGDPH-RKDXNWHRSA-N 1 0 375.210 1.390 20 0 GDADRO O=C(Nc1cccc2c(Br)ccnc12)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415818454 531536328 /nfs/dbraw/zinc/53/63/28/531536328.db2.gz UIJOFFCQFVYWCI-YGRLFVJLSA-N 1 0 389.253 1.756 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC[NH2+]1 ZINC000415811517 531536369 /nfs/dbraw/zinc/53/63/69/531536369.db2.gz BBBICXQYTSMESF-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000659701023 531555131 /nfs/dbraw/zinc/55/51/31/531555131.db2.gz BBDZRYZCWDWVTG-CIUDSAMLSA-N 1 0 375.313 1.490 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])Oc1cccc(Br)c1 ZINC000659701081 531555706 /nfs/dbraw/zinc/55/57/06/531555706.db2.gz BKEINZYBHOWHCS-NSHDSACASA-N 1 0 386.290 1.528 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000552713035 531556803 /nfs/dbraw/zinc/55/68/03/531556803.db2.gz FWHYLYIGWVEJFI-HUUCEWRRSA-N 1 0 385.555 1.749 20 0 GDADRO NC(=O)[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000280924561 531558558 /nfs/dbraw/zinc/55/85/58/531558558.db2.gz PWDIXRGEPHVVNG-XHDPSFHLSA-N 1 0 395.301 1.759 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000659752749 531558991 /nfs/dbraw/zinc/55/89/91/531558991.db2.gz NNCGJEGVQMMYOE-LBPRGKRZSA-N 1 0 382.302 1.912 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000659751019 531559156 /nfs/dbraw/zinc/55/91/56/531559156.db2.gz FFRFHJKLJOCALJ-SMDDNHRTSA-N 1 0 384.274 1.073 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000364413449 531562191 /nfs/dbraw/zinc/56/21/91/531562191.db2.gz CNRJZKWHWGKDTM-MRVWCRGKSA-N 1 0 378.445 1.020 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3cccc(Br)c3)no2)C1 ZINC000613523635 531568114 /nfs/dbraw/zinc/56/81/14/531568114.db2.gz XQIDGSMHHALXPB-MRXNPFEDSA-N 1 0 380.242 1.901 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1Br ZINC000280985451 531564463 /nfs/dbraw/zinc/56/44/63/531564463.db2.gz JBVMHOXSDYRNEW-OAHLLOKOSA-N 1 0 390.253 1.264 20 0 GDADRO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)NCCCCC[NH+]1CCCCC1 ZINC000451198060 531564721 /nfs/dbraw/zinc/56/47/21/531564721.db2.gz TWVWTYIMSONJHM-INIZCTEOSA-N 1 0 380.576 1.387 20 0 GDADRO Cc1ccc(Br)nc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000364439736 531565069 /nfs/dbraw/zinc/56/50/69/531565069.db2.gz FTUMBMRJXKVJJD-AWEZNQCLSA-N 1 0 397.317 1.289 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000583143232 531566399 /nfs/dbraw/zinc/56/63/99/531566399.db2.gz BZDPPBDJGSVERM-LBPRGKRZSA-N 1 0 376.682 1.818 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)CCCC[NH+](C)C)CC2)c(C)s1 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382.258 1.994 20 0 GDADRO [NH3+]CC1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000269196522 531622514 /nfs/dbraw/zinc/62/25/14/531622514.db2.gz VUPLTXBVBBLXPR-HNNXBMFYSA-N 1 0 380.286 1.999 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000416457697 531622857 /nfs/dbraw/zinc/62/28/57/531622857.db2.gz OMUJWUSSIBLTFX-WFASDCNBSA-N 1 0 385.917 1.723 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000365190289 531626000 /nfs/dbraw/zinc/62/60/00/531626000.db2.gz NLFXREZYEYWJHC-GWCFXTLKSA-N 1 0 390.303 1.066 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)Nc1cccc(C(=O)OC)c1Br ZINC000495020726 531626018 /nfs/dbraw/zinc/62/60/18/531626018.db2.gz SLYFRKOBHMCPQB-UHFFFAOYSA-N 1 0 388.262 1.671 20 0 GDADRO O=C(CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1)Nc1ccccc1Br ZINC000365192814 531626273 /nfs/dbraw/zinc/62/62/73/531626273.db2.gz SMPQFNRNUGJAQO-PBHICJAKSA-N 1 0 396.285 1.661 20 0 GDADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000269225853 531626475 /nfs/dbraw/zinc/62/64/75/531626475.db2.gz DQPNPURVCSMTLB-UONOGXRCSA-N 1 0 375.252 1.572 20 0 GDADRO O=C(CNC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1)Nc1ccccc1Br ZINC000365192815 531626519 /nfs/dbraw/zinc/62/65/19/531626519.db2.gz SMPQFNRNUGJAQO-RHSMWYFYSA-N 1 0 396.285 1.661 20 0 GDADRO C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000269260298 531630700 /nfs/dbraw/zinc/63/07/00/531630700.db2.gz JDCOPLNHVMKXHK-GXFFZTMASA-N 1 0 379.404 1.179 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)C[C@@H]1O ZINC000637599958 531627842 /nfs/dbraw/zinc/62/78/42/531627842.db2.gz LBVNVTAZBLBRJG-AFHWFKKNSA-N 1 0 380.286 1.404 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000584769359 531628807 /nfs/dbraw/zinc/62/88/07/531628807.db2.gz HMTAATRJUGKKPB-SNVBAGLBSA-N 1 0 381.786 1.535 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCc2c(Br)cccc2C1 ZINC000497946725 531633891 /nfs/dbraw/zinc/63/38/91/531633891.db2.gz UKCFUJWBQGXLCD-CYBMUJFWSA-N 1 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531649325 /nfs/dbraw/zinc/64/93/25/531649325.db2.gz WLAAEECYWBKVBV-WDEREUQCSA-N 1 0 380.363 1.633 20 0 GDADRO CC[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000296052875 531649775 /nfs/dbraw/zinc/64/97/75/531649775.db2.gz VIEIPAYRNOXILQ-INIZCTEOSA-N 1 0 389.949 1.746 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000638250123 531650609 /nfs/dbraw/zinc/65/06/09/531650609.db2.gz DQMXOZCLTYTPGH-FQUUOJAGSA-N 1 0 382.448 1.448 20 0 GDADRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000451630926 531651764 /nfs/dbraw/zinc/65/17/64/531651764.db2.gz KJAQNQRRPVRGKU-ZIAGYGMSSA-N 1 0 389.905 1.686 20 0 GDADRO O=C(c1csc(C(F)(F)F)c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638482969 531653628 /nfs/dbraw/zinc/65/36/28/531653628.db2.gz AFNZYLNBBGCDDJ-UHFFFAOYSA-N 1 0 376.404 1.550 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000560562904 531655406 /nfs/dbraw/zinc/65/54/06/531655406.db2.gz ARHNDSWHSJJXRK-GHMZBOCLSA-N 1 0 376.284 1.943 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C[C@@H]1O ZINC000560635253 531658010 /nfs/dbraw/zinc/65/80/10/531658010.db2.gz MUACOKKBNOKSTQ-YESZJQIVSA-N 1 0 396.329 1.719 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500471312 531658283 /nfs/dbraw/zinc/65/82/83/531658283.db2.gz KOJNQHOQXYOCTJ-UHFFFAOYSA-N 1 0 398.301 1.674 20 0 GDADRO CN(CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)S(=O)(=O)c1cccs1 ZINC000269381035 531659277 /nfs/dbraw/zinc/65/92/77/531659277.db2.gz XUSRPNYLTDTLKH-ZIAGYGMSSA-N 1 0 386.543 1.295 20 0 GDADRO O=C(c1ccccc1I)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588861329 531659605 /nfs/dbraw/zinc/65/96/05/531659605.db2.gz QUGMXZCKZVAXPV-VXGBXAGGSA-N 1 0 386.233 1.572 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1cc(F)c(Br)cc1F ZINC000638599769 531660429 /nfs/dbraw/zinc/66/04/29/531660429.db2.gz NHYKKSQBBWHOLG-LBPRGKRZSA-N 1 0 376.201 1.212 20 0 GDADRO [NH3+]CC1(NC(=O)CCNC(=O)c2ccc(Br)cc2)CCOCC1 ZINC000638635682 531662576 /nfs/dbraw/zinc/66/25/76/531662576.db2.gz FESSPPIRUVJLBB-UHFFFAOYSA-N 1 0 384.274 1.193 20 0 GDADRO [NH3+]CC1(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CCOCC1 ZINC000638636711 531662882 /nfs/dbraw/zinc/66/28/82/531662882.db2.gz GCAIJXHEFHPVQD-LBPRGKRZSA-N 1 0 396.285 1.426 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(C)CCOCC[NH3+] ZINC000638674532 531665044 /nfs/dbraw/zinc/66/50/44/531665044.db2.gz KARGTATVFSGYFK-UHFFFAOYSA-N 1 0 393.303 1.208 20 0 GDADRO C[C@H](NS(C)(=O)=O)C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000617866594 531666799 /nfs/dbraw/zinc/66/67/99/531666799.db2.gz RQKHENWFFHJNKR-JTQLQIEISA-N 1 0 382.511 1.767 20 0 GDADRO O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919298 531674386 /nfs/dbraw/zinc/67/43/86/531674386.db2.gz GNHVLOVPNCWIHQ-PHIMTYICSA-N 1 0 392.308 1.625 20 0 GDADRO CN[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662405211 531675255 /nfs/dbraw/zinc/67/52/55/531675255.db2.gz MALCCMHIDOXTFS-IAQYHMDHSA-N 1 0 387.311 1.567 20 0 GDADRO Cc1cc(Br)cc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000662403824 531675337 /nfs/dbraw/zinc/67/53/37/531675337.db2.gz ATRJHQGOCJREQY-ZDUSSCGKSA-N 1 0 382.302 1.993 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1 ZINC000662403521 531675639 /nfs/dbraw/zinc/67/56/39/531675639.db2.gz FFDYRQJFVPIYBI-ZDUSSCGKSA-N 1 0 379.258 1.080 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000638929314 531675738 /nfs/dbraw/zinc/67/57/38/531675738.db2.gz FOHIXAFUALINJS-RISCZKNCSA-N 1 0 393.285 1.468 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cc(Br)cnc1-n1cccn1 ZINC000561018256 531676203 /nfs/dbraw/zinc/67/62/03/531676203.db2.gz YGTUFHXFQVCABR-GFCCVEGCSA-N 1 0 395.261 1.530 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000638942490 531678671 /nfs/dbraw/zinc/67/86/71/531678671.db2.gz IHHVGDZCWHBGRJ-VDERGJSUSA-N 1 0 378.270 1.072 20 0 GDADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000662456036 531679059 /nfs/dbraw/zinc/67/90/59/531679059.db2.gz TXFHMIPGWTVTNS-WCBMZHEXSA-N 1 0 377.754 1.382 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000639022754 531679480 /nfs/dbraw/zinc/67/94/80/531679480.db2.gz IEHRQPFIXNFKTI-QWHCGFSZSA-N 1 0 379.507 1.579 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000503235701 531689196 /nfs/dbraw/zinc/68/91/96/531689196.db2.gz BLXMSPCEBCOSPJ-QLFBSQMISA-N 1 0 379.592 1.284 20 0 GDADRO [NH3+]CC1(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CCCCC1 ZINC000639001174 531680790 /nfs/dbraw/zinc/68/07/90/531680790.db2.gz HPUHIBNIBICBCK-UHFFFAOYSA-N 1 0 385.555 1.853 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1ccc(F)cc1Br ZINC000618307563 531682596 /nfs/dbraw/zinc/68/25/96/531682596.db2.gz JOIYBICWDKXDBY-UHFFFAOYSA-N 1 0 388.281 1.609 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000281981359 531685770 /nfs/dbraw/zinc/68/57/70/531685770.db2.gz PWTQWGNPOFMNPM-YMTOWFKASA-N 1 0 382.877 1.281 20 0 GDADRO CC(C)OC[C@H]([NH3+])C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000662547357 531687056 /nfs/dbraw/zinc/68/70/56/531687056.db2.gz ZPTPLVXRMOCVHV-LBPRGKRZSA-N 1 0 383.246 1.868 20 0 GDADRO COCCOC1(C[NH2+]Cc2cnn3cc(Br)cnc23)CCOCC1 ZINC000639218549 531687196 /nfs/dbraw/zinc/68/71/96/531687196.db2.gz GHXVPTAXQLRAQS-UHFFFAOYSA-N 1 0 399.289 1.794 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(I)cc3)[C@@H]2C1 ZINC000590282582 531687319 /nfs/dbraw/zinc/68/73/19/531687319.db2.gz VOEBPTKOKUHMAN-ZWNOBZJWSA-N 1 0 399.232 1.392 20 0 GDADRO O=C(NCCNC(=O)C1([NH2+]C2CC2)CCC1)c1cccc(Br)c1 ZINC000662555681 531687631 /nfs/dbraw/zinc/68/76/31/531687631.db2.gz ZIAJATWEDHGZCG-UHFFFAOYSA-N 1 0 380.286 1.970 20 0 GDADRO O=C(CS(=O)(=O)Cc1cccc(Br)c1)NCC12CC(C1)C[NH2+]2 ZINC000662717279 531694842 /nfs/dbraw/zinc/69/48/42/531694842.db2.gz NBISYHGVGZIENJ-UHFFFAOYSA-N 1 0 387.299 1.232 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000282046290 531696602 /nfs/dbraw/zinc/69/66/02/531696602.db2.gz VBORHHXJUXUIPE-LBPRGKRZSA-N 1 0 396.285 1.762 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000269627874 531700659 /nfs/dbraw/zinc/70/06/59/531700659.db2.gz GOYCEHMJOYTOLI-UHFFFAOYSA-N 1 0 390.303 1.264 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000561407344 531697563 /nfs/dbraw/zinc/69/75/63/531697563.db2.gz GIXAJHBHRCUNHP-UHFFFAOYSA-N 1 0 382.306 1.939 20 0 GDADRO CS[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000296474277 531697587 /nfs/dbraw/zinc/69/75/87/531697587.db2.gz XYXLBRNXLCKZNJ-NXEZZACHSA-N 1 0 375.416 1.984 20 0 GDADRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)sc1S(N)(=O)=O ZINC000618986819 531699486 /nfs/dbraw/zinc/69/94/86/531699486.db2.gz IPPFPODFUUIZTP-NSHDSACASA-N 1 0 375.516 1.254 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CC[C@H]1F ZINC000662936840 531699626 /nfs/dbraw/zinc/69/96/26/531699626.db2.gz JFLUFGCFEMFGTK-KFWWJZLASA-N 1 0 385.892 1.854 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000662938812 531700087 /nfs/dbraw/zinc/70/00/87/531700087.db2.gz ZPZGZTPDBJQAQO-KVIBHRHWSA-N 1 0 379.913 1.906 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[N@H+](C)C2)s1 ZINC000618549754 531689713 /nfs/dbraw/zinc/68/97/13/531689713.db2.gz WXWHSHSIBSMYKI-ZDUSSCGKSA-N 1 0 388.559 1.672 20 0 GDADRO N[C@@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1Br ZINC000662570173 531690317 /nfs/dbraw/zinc/69/03/17/531690317.db2.gz HIRHFAAPQHQJEY-SWLSCSKDSA-N 1 0 382.302 1.663 20 0 GDADRO COc1cc(Br)c(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1O ZINC000639367384 531690832 /nfs/dbraw/zinc/69/08/32/531690832.db2.gz JJQBVQNVJLWCIC-HOTGVXAUSA-N 1 0 383.242 1.648 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)cc1 ZINC000639386593 531692947 /nfs/dbraw/zinc/69/29/47/531692947.db2.gz JIACULTZXOAAFV-UHFFFAOYSA-N 1 0 378.523 1.572 20 0 GDADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639948161 531711031 /nfs/dbraw/zinc/71/10/31/531711031.db2.gz AAFPXXRNDBQGGT-YKJXYISPSA-N 1 0 394.269 1.761 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000451880194 531701853 /nfs/dbraw/zinc/70/18/53/531701853.db2.gz UYMPHKLMHPPKKN-SMDDNHRTSA-N 1 0 388.331 1.840 20 0 GDADRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)NCc2cnc(C)s2)C1 ZINC000639698759 531701931 /nfs/dbraw/zinc/70/19/31/531701931.db2.gz PBFNSEUBVHOETD-CQSZACIVSA-N 1 0 378.420 1.458 20 0 GDADRO OCc1cn([C@H]2CC[N@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000639723631 531703996 /nfs/dbraw/zinc/70/39/96/531703996.db2.gz OVHVBIHKYCVSRY-GJZGRUSLSA-N 1 0 387.267 1.764 20 0 GDADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000504332631 531704332 /nfs/dbraw/zinc/70/43/32/531704332.db2.gz UXKMAAZNSTWSCJ-CABCVRRESA-N 1 0 380.286 1.779 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C2 ZINC000662993042 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/nfs/dbraw/zinc/77/64/99/531776499.db2.gz NYTWXDFIUCOQDP-WFASDCNBSA-N 1 0 397.317 1.866 20 0 GDADRO CCC[NH2+]CCNC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417476976 531776913 /nfs/dbraw/zinc/77/69/13/531776913.db2.gz CBKOTSBZDKJULZ-UHFFFAOYSA-N 1 0 385.306 1.868 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000622367824 531778425 /nfs/dbraw/zinc/77/84/25/531778425.db2.gz MGKSGDLJQRYVRP-UHFFFAOYSA-N 1 0 387.571 1.794 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000417512367 531778529 /nfs/dbraw/zinc/77/85/29/531778529.db2.gz HNOOSCGVNKEALB-CYBMUJFWSA-N 1 0 390.575 1.618 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000562789297 531779317 /nfs/dbraw/zinc/77/93/17/531779317.db2.gz RYKZZORBIFNUMD-AWEZNQCLSA-N 1 0 386.905 1.154 20 0 GDADRO [NH3+]C[C@@H](O)CCc1cn(Cc2cccc(Br)c2OC(F)F)nn1 ZINC000641123790 531779654 /nfs/dbraw/zinc/77/96/54/531779654.db2.gz XLAWIKWTAQPRFS-NSHDSACASA-N 1 0 391.216 1.943 20 0 GDADRO COc1cc(CS(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)sn1 ZINC000641307898 531801251 /nfs/dbraw/zinc/80/12/51/531801251.db2.gz LLZAUBYKTZFSIB-UHFFFAOYSA-N 1 0 389.543 1.416 20 0 GDADRO COC[C@H](CS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1)OC ZINC000641307291 531801573 /nfs/dbraw/zinc/80/15/73/531801573.db2.gz DYBXHDADOUXQLN-OAHLLOKOSA-N 1 0 376.544 1.541 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cs1 ZINC000297333420 531784027 /nfs/dbraw/zinc/78/40/27/531784027.db2.gz XYJZHCONYROJFL-KBPBESRZSA-N 1 0 383.470 1.492 20 0 GDADRO [NH3+]CCCCNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000417793444 531784869 /nfs/dbraw/zinc/78/48/69/531784869.db2.gz PDGZNYHBHMGXMK-UHFFFAOYSA-N 1 0 388.559 1.503 20 0 GDADRO C[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)Oc1cccc(Br)c1 ZINC000417785494 531785842 /nfs/dbraw/zinc/78/58/42/531785842.db2.gz DCRDXHXUZDLQME-DOMZBBRYSA-N 1 0 386.290 1.976 20 0 GDADRO CC(C)(C[NH3+])NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000417798145 531785884 /nfs/dbraw/zinc/78/58/84/531785884.db2.gz TYLUKJMITRZMFS-UHFFFAOYSA-N 1 0 388.559 1.502 20 0 GDADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1Cl ZINC000269857793 531787335 /nfs/dbraw/zinc/78/73/35/531787335.db2.gz CFJRMYYMVVYIED-OAHLLOKOSA-N 1 0 378.256 1.369 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCCC2=CC[NH2+]CC2)c(C)s1 ZINC000417911220 531788577 /nfs/dbraw/zinc/78/85/77/531788577.db2.gz LIZLRJLHBGDCLV-UHFFFAOYSA-N 1 0 386.543 1.252 20 0 GDADRO Cc1csc(C(=O)N(C)CCN2CC[NH2+]CC2)c1I ZINC000592468741 531789979 /nfs/dbraw/zinc/78/99/79/531789979.db2.gz FIKVYGOVIBGEQJ-UHFFFAOYSA-N 1 0 393.294 1.638 20 0 GDADRO Brc1cc(N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)cnc1N1CCOCC1 ZINC000562957012 531790619 /nfs/dbraw/zinc/79/06/19/531790619.db2.gz JELNDSHLBCWZRE-HZPDHXFCSA-N 1 0 397.317 1.860 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NCCC1=CC[NH2+]CC1 ZINC000417919735 531791242 /nfs/dbraw/zinc/79/12/42/531791242.db2.gz CEGNIGYKFWTOHN-UHFFFAOYSA-N 1 0 392.934 1.289 20 0 GDADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1S(=O)(=O)NC ZINC000511327987 531791914 /nfs/dbraw/zinc/79/19/14/531791914.db2.gz VMGQVVCXOBJUGL-UHFFFAOYSA-N 1 0 389.543 1.091 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c(Br)c1 ZINC000269874515 531793575 /nfs/dbraw/zinc/79/35/75/531793575.db2.gz GQEDPCJQCSRRHM-MRXNPFEDSA-N 1 0 386.290 1.433 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000592492814 531793834 /nfs/dbraw/zinc/79/38/34/531793834.db2.gz UXUSWPJOZAEVIH-ZDUSSCGKSA-N 1 0 395.257 1.836 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000562991178 531793986 /nfs/dbraw/zinc/79/39/86/531793986.db2.gz MPQGSPRJSPZZIG-UHFFFAOYSA-N 1 0 390.575 1.539 20 0 GDADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)NCCN1CC[NH2+]CC1 ZINC000417993277 531794811 /nfs/dbraw/zinc/79/48/11/531794811.db2.gz AIQWWNDFSNPJRP-UHFFFAOYSA-N 1 0 394.317 1.677 20 0 GDADRO CC(C)[C@H]1CN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC[N@@H+]1C ZINC000623024488 531794917 /nfs/dbraw/zinc/79/49/17/531794917.db2.gz RLVCCEAEAFLSDT-OAHLLOKOSA-N 1 0 393.289 1.837 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC000623025682 531795273 /nfs/dbraw/zinc/79/52/73/531795273.db2.gz QKIJAQCESUSLBK-CYBMUJFWSA-N 1 0 393.289 1.981 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2cc(C)ccc2C)s1 ZINC000562984178 531795484 /nfs/dbraw/zinc/79/54/84/531795484.db2.gz DJHAPXKOHRCENP-AWEZNQCLSA-N 1 0 384.523 1.803 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000418002471 531795847 /nfs/dbraw/zinc/79/58/47/531795847.db2.gz ABHJCWXQUWKULI-FZMZJTMJSA-N 1 0 383.290 1.899 20 0 GDADRO CNS(=O)(=O)CCC[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000511643072 531796550 /nfs/dbraw/zinc/79/65/50/531796550.db2.gz ARRHNCUVMLPFQJ-CYBMUJFWSA-N 1 0 384.420 1.316 20 0 GDADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)NC[C@@H]1C[NH2+]CCO1 ZINC000418013842 531797354 /nfs/dbraw/zinc/79/73/54/531797354.db2.gz ZWAIFBFBCRGWKX-ZDUSSCGKSA-N 1 0 381.274 1.761 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cn2ccc(Br)cc2n1 ZINC000452798191 531798266 /nfs/dbraw/zinc/79/82/66/531798266.db2.gz OGMOYWMQNXUXJU-ZDUSSCGKSA-N 1 0 381.274 1.673 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000668234429 531798269 /nfs/dbraw/zinc/79/82/69/531798269.db2.gz IMGRVUPVOVHLKR-UHFFFAOYSA-N 1 0 393.289 1.839 20 0 GDADRO O=C(NCc1nc2c(cccc2Br)[nH]1)NC[C@@H]1C[NH2+]CCCO1 ZINC000418269270 531818323 /nfs/dbraw/zinc/81/83/23/531818323.db2.gz QLSHLCJNHCMQGC-JTQLQIEISA-N 1 0 382.262 1.503 20 0 GDADRO NS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000563211773 531818458 /nfs/dbraw/zinc/81/84/58/531818458.db2.gz NACXZHSBNCOASM-SJORKVTESA-N 1 0 387.933 1.720 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Br)cc2c1OCCO2)N1CC[NH+](C)CC1 ZINC000668694721 531803762 /nfs/dbraw/zinc/80/37/62/531803762.db2.gz HVEQFJJDJJWAES-LBPRGKRZSA-N 1 0 398.301 1.586 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418136528 531803836 /nfs/dbraw/zinc/80/38/36/531803836.db2.gz BSZGPCGOSKGJQW-UHFFFAOYSA-N 1 0 390.937 1.635 20 0 GDADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641318038 531804141 /nfs/dbraw/zinc/80/41/41/531804141.db2.gz IEVOIVBPWNLOIA-UHFFFAOYSA-N 1 0 388.291 1.208 20 0 GDADRO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc(F)cc1I ZINC000418114758 531804205 /nfs/dbraw/zinc/80/42/05/531804205.db2.gz MMLQOPRKFJDWJQ-NSHDSACASA-N 1 0 378.229 1.929 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccsc1Br ZINC000282870014 531804615 /nfs/dbraw/zinc/80/46/15/531804615.db2.gz WDAPMHCSEZIBFU-LLVKDONJSA-N 1 0 375.336 1.946 20 0 GDADRO [NH3+]CC[C@H](NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl)C(F)F ZINC000418138976 531804778 /nfs/dbraw/zinc/80/47/78/531804778.db2.gz GHGXNDRILLJKKT-NSHDSACASA-N 1 0 398.863 1.290 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)c(O)c1 ZINC000563108287 531807347 /nfs/dbraw/zinc/80/73/47/531807347.db2.gz IEUZFRNVHSRHLB-LBPRGKRZSA-N 1 0 396.207 1.721 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418155904 531807543 /nfs/dbraw/zinc/80/75/43/531807543.db2.gz ADIWTICWAJEWLT-JTQLQIEISA-N 1 0 380.873 1.184 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000282895177 531808320 /nfs/dbraw/zinc/80/83/20/531808320.db2.gz DYLSJTMIBOPVCC-CQSZACIVSA-N 1 0 391.559 1.336 20 0 GDADRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000514987776 531808657 /nfs/dbraw/zinc/80/86/57/531808657.db2.gz TXQMFODELDTPFL-CQSZACIVSA-N 1 0 384.274 1.675 20 0 GDADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C ZINC000563129329 531810396 /nfs/dbraw/zinc/81/03/96/531810396.db2.gz OGHLQKLZRKOJIV-SNVBAGLBSA-N 1 0 378.292 1.732 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000418165182 531810875 /nfs/dbraw/zinc/81/08/75/531810875.db2.gz XZPVZEFXKVGHDI-NSHDSACASA-N 1 0 392.884 1.056 20 0 GDADRO CC(C)([NH3+])CNC(=O)NCC(=O)Nc1ccc(I)cc1 ZINC000418171867 531811999 /nfs/dbraw/zinc/81/19/99/531811999.db2.gz QTXDOPBECXBNOF-UHFFFAOYSA-N 1 0 390.225 1.266 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000515847761 531812047 /nfs/dbraw/zinc/81/20/47/531812047.db2.gz ITLLQCKHSMDUKS-GHMZBOCLSA-N 1 0 379.404 1.227 20 0 GDADRO COC1([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CCOCC1 ZINC000453079947 531812210 /nfs/dbraw/zinc/81/22/10/531812210.db2.gz HJBHYFODKNKFAC-ZDUSSCGKSA-N 1 0 376.906 1.792 20 0 GDADRO C[C@@H]([NH2+]CCc1cnc2c(Cl)cnn2c1)c1cccc(S(N)(=O)=O)c1 ZINC000453227263 531812631 /nfs/dbraw/zinc/81/26/31/531812631.db2.gz YFHPWKMPNGPDFS-LLVKDONJSA-N 1 0 379.873 1.923 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)c1cc(C(F)(F)F)c(Br)cn1 ZINC000563143024 531813067 /nfs/dbraw/zinc/81/30/67/531813067.db2.gz MMGXXQAHADHWJN-UHFFFAOYSA-N 1 0 381.196 1.731 20 0 GDADRO CC(C)(CCC[NH3+])NC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418173206 531813074 /nfs/dbraw/zinc/81/30/74/531813074.db2.gz YFIPAPDLVGGGJM-ZDUSSCGKSA-N 1 0 388.559 1.575 20 0 GDADRO O=C(CNS(=O)(=O)c1ccccc1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000563159751 531813800 /nfs/dbraw/zinc/81/38/00/531813800.db2.gz KSJYBXDQUGLELG-UHFFFAOYSA-N 1 0 380.495 1.527 20 0 GDADRO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCC[NH2+]C1CC1 ZINC000563167610 531813896 /nfs/dbraw/zinc/81/38/96/531813896.db2.gz QTVIERBTXGHFRW-UHFFFAOYSA-N 1 0 379.404 1.242 20 0 GDADRO CCN1C[C@H]([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1=O ZINC000453375635 531814020 /nfs/dbraw/zinc/81/40/20/531814020.db2.gz XIXZWKFXIPMKSD-GXSJLCMTSA-N 1 0 390.303 1.368 20 0 GDADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1Br ZINC000453576254 531814061 /nfs/dbraw/zinc/81/40/61/531814061.db2.gz VIRKJSMLYZGZIT-JTQLQIEISA-N 1 0 392.681 1.388 20 0 GDADRO CC1(C)[C@H](CS(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1(F)F ZINC000641385213 531813987 /nfs/dbraw/zinc/81/39/87/531813987.db2.gz MSUHLQZRLLQQIO-ZNMIVQPWSA-N 1 0 380.501 1.965 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CCC(C[NH3+])CC1 ZINC000418187670 531814418 /nfs/dbraw/zinc/81/44/18/531814418.db2.gz RVNOEYLGVQIZHR-UHFFFAOYSA-N 1 0 388.921 1.307 20 0 GDADRO [NH3+]CCc1nc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cs1 ZINC000563160772 531814438 /nfs/dbraw/zinc/81/44/38/531814438.db2.gz OBRZJGKIQJQPSG-GFCCVEGCSA-N 1 0 382.848 1.972 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CCO1 ZINC000669476269 531814461 /nfs/dbraw/zinc/81/44/61/531814461.db2.gz NBDDGBMXOZBJRT-ZENOOKHLSA-N 1 0 397.317 1.785 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NC/C=C/C[NH3+] ZINC000669474412 531814677 /nfs/dbraw/zinc/81/46/77/531814677.db2.gz UPAHKUYEDUQEDL-SNAWJCMRSA-N 1 0 383.290 1.612 20 0 GDADRO CCNC(=O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000453559062 531814713 /nfs/dbraw/zinc/81/47/13/531814713.db2.gz DZVYEMMCZNKQJP-NSHDSACASA-N 1 0 383.290 1.664 20 0 GDADRO CCN1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1=O ZINC000453375643 531815085 /nfs/dbraw/zinc/81/50/85/531815085.db2.gz XIXZWKFXIPMKSD-ONGXEEELSA-N 1 0 390.303 1.368 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453394089 531815466 /nfs/dbraw/zinc/81/54/66/531815466.db2.gz VSVLTBPHJAYJBV-XHVZSJERSA-N 1 0 377.304 1.908 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)NCc1nn(C)cc1I ZINC000418259153 531817121 /nfs/dbraw/zinc/81/71/21/531817121.db2.gz OEUVUBMJVKMQIK-SECBINFHSA-N 1 0 379.246 1.341 20 0 GDADRO Cn1cc(I)c(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000418257980 531817618 /nfs/dbraw/zinc/81/76/18/531817618.db2.gz NFXAYMQJMASJMA-JTQLQIEISA-N 1 0 391.257 1.295 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H](O)COc1ccccc1Br ZINC000418329812 531822179 /nfs/dbraw/zinc/82/21/79/531822179.db2.gz BLWBNUJZPDQBFH-STQMWFEESA-N 1 0 386.290 1.488 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000297804907 531823006 /nfs/dbraw/zinc/82/30/06/531823006.db2.gz KCVKHRDBRBHSSK-GFCCVEGCSA-N 1 0 386.290 1.801 20 0 GDADRO [NH3+]C1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CCC1 ZINC000418528941 531829881 /nfs/dbraw/zinc/82/98/81/531829881.db2.gz SOGJWJBNCCLLOS-UHFFFAOYSA-N 1 0 386.905 1.237 20 0 GDADRO O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)N[C@H]1CCC[NH2+]C1 ZINC000418383125 531823632 /nfs/dbraw/zinc/82/36/32/531823632.db2.gz NGODKLRNCDEJQI-OLZOCXBDSA-N 1 0 388.281 1.790 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418379115 531823797 /nfs/dbraw/zinc/82/37/97/531823797.db2.gz GIPVJHNYGACAQN-WCQYABFASA-N 1 0 390.297 1.894 20 0 GDADRO [NH3+]C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000418403856 531824477 /nfs/dbraw/zinc/82/44/77/531824477.db2.gz PUUFIPZZQUNSML-NSHDSACASA-N 1 0 392.934 1.155 20 0 GDADRO CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000453825461 531829939 /nfs/dbraw/zinc/82/99/39/531829939.db2.gz VLFSPLYVOMMNKY-ZDUSSCGKSA-N 1 0 385.917 1.963 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)COc1ccc(S(N)(=O)=O)cc1)c1ccsc1 ZINC000623840585 531826102 /nfs/dbraw/zinc/82/61/02/531826102.db2.gz PNJYDLMHIILSAT-OAHLLOKOSA-N 1 0 383.495 1.193 20 0 GDADRO [NH3+][C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000418499975 531827742 /nfs/dbraw/zinc/82/77/42/531827742.db2.gz OUJALNOZDNQDDU-HNNXBMFYSA-N 1 0 386.905 1.093 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC[N@@H+](C2CC2)C1 ZINC000453772870 531828744 /nfs/dbraw/zinc/82/87/44/531828744.db2.gz ZJJQZGNSQCFCGV-LLVKDONJSA-N 1 0 380.539 1.814 20 0 GDADRO [NH3+]CC12CCC(CC1)CN2C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000563339736 531829283 /nfs/dbraw/zinc/82/92/83/531829283.db2.gz RUADXTLALWGPQL-UHFFFAOYSA-N 1 0 378.523 1.719 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)NC[C@@H](O)COc1ccccc1Br ZINC000418538477 531829722 /nfs/dbraw/zinc/82/97/22/531829722.db2.gz LGJDTUSYEGYVDW-CYBMUJFWSA-N 1 0 384.274 1.408 20 0 GDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Br)cnc2C)C1 ZINC000453613106 531819234 /nfs/dbraw/zinc/81/92/34/531819234.db2.gz BPKSYHIJXJEETL-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO [NH3+]C1(CNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CCCCCC1 ZINC000418286889 531820137 /nfs/dbraw/zinc/82/01/37/531820137.db2.gz SJERTSVICFZZSE-ZDUSSCGKSA-N 1 0 389.543 1.234 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(I)c(F)c2)C1 ZINC000517404678 531821047 /nfs/dbraw/zinc/82/10/47/531821047.db2.gz QIHWMOZWOJDMAY-LLVKDONJSA-N 1 0 392.212 1.881 20 0 GDADRO C[C@@H](CN(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1nccs1 ZINC000418618283 531832779 /nfs/dbraw/zinc/83/27/79/531832779.db2.gz OGHXFVZKPNDIMC-RYUDHWBXSA-N 1 0 379.452 1.724 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H](CC(F)(F)F)C1 ZINC000418616343 531833211 /nfs/dbraw/zinc/83/32/11/531833211.db2.gz MOKBCZUCZHPGEL-QWRGUYRKSA-N 1 0 376.345 1.806 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624177036 531833987 /nfs/dbraw/zinc/83/39/87/531833987.db2.gz WLRWCFSEZPRNLC-VHSXEESVSA-N 1 0 382.313 1.622 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1)[NH+](C)C ZINC000453958130 531834341 /nfs/dbraw/zinc/83/43/41/531834341.db2.gz SWMGORLALVPPOY-NSHDSACASA-N 1 0 394.273 1.640 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418703513 531834473 /nfs/dbraw/zinc/83/44/73/531834473.db2.gz QVNXQAUJXHYISU-NHCYSSNCSA-N 1 0 376.270 1.774 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418696447 531834746 /nfs/dbraw/zinc/83/47/46/531834746.db2.gz KTHLORBVEGWLOS-WOPDTQHZSA-N 1 0 388.306 1.644 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000297924742 531835016 /nfs/dbraw/zinc/83/50/16/531835016.db2.gz UFLHPFQTBBYJEL-LBPRGKRZSA-N 1 0 398.326 1.942 20 0 GDADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)NC[C@@H]1C[NH2+]CCO1 ZINC000418769582 531836998 /nfs/dbraw/zinc/83/69/98/531836998.db2.gz PYJLFWAFEVJLQQ-MNOVXSKESA-N 1 0 378.256 1.021 20 0 GDADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418755002 531837358 /nfs/dbraw/zinc/83/73/58/531837358.db2.gz WXJMGKSXNVGICQ-VXGBXAGGSA-N 1 0 378.217 1.779 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000418764395 531837464 /nfs/dbraw/zinc/83/74/64/531837464.db2.gz AFLIOFHTFVZTLV-YPMHNXCESA-N 1 0 398.301 1.517 20 0 GDADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000624353287 531837580 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O=C(NCC1=CC[NH2+]CC1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418539842 531830542 /nfs/dbraw/zinc/83/05/42/531830542.db2.gz NWJWNMYSKFTGNJ-OAHLLOKOSA-N 1 0 382.302 1.819 20 0 GDADRO COCCN1CCN(C(=O)c2cncc(I)c2)CC1 ZINC000270135489 531831642 /nfs/dbraw/zinc/83/16/42/531831642.db2.gz ADBMGMXZZGDDEH-UHFFFAOYSA-N 1 0 375.210 1.090 20 0 GDADRO C[C@H](CNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)[NH+](C)C ZINC000297886599 531832088 /nfs/dbraw/zinc/83/20/88/531832088.db2.gz RJQLBVLCRYJYAF-SSDOTTSWSA-N 1 0 398.710 1.430 20 0 GDADRO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000418834795 531849822 /nfs/dbraw/zinc/84/98/22/531849822.db2.gz SBCQUFCMDQPHEZ-JOCQHMNTSA-N 1 0 398.276 1.772 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418842942 531851933 /nfs/dbraw/zinc/85/19/33/531851933.db2.gz HMRQKHPYIXSAQM-FUNVUKJBSA-N 1 0 398.276 1.646 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000418840428 531852102 /nfs/dbraw/zinc/85/21/02/531852102.db2.gz FMGJQAWZAICTQK-AGIUHOORSA-N 1 0 382.302 1.705 20 0 GDADRO Cc1nn(C)c(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1Br ZINC000367667767 531852976 /nfs/dbraw/zinc/85/29/76/531852976.db2.gz DJERNLSPODFOOD-UHFFFAOYSA-N 1 0 384.366 1.950 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000418858666 531855532 /nfs/dbraw/zinc/85/55/32/531855532.db2.gz WPCLSXWCCXGDRD-AEGPPILISA-N 1 0 380.286 1.569 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N(C)CCC[NH3+])C2=O)ccc1Br ZINC000563584877 531854132 /nfs/dbraw/zinc/85/41/32/531854132.db2.gz RGQQMCBBLYREQC-AWEZNQCLSA-N 1 0 383.290 1.853 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)NC/C=C/C[NH3+])cc1Br ZINC000641862441 531854150 /nfs/dbraw/zinc/85/41/50/531854150.db2.gz OEDSZRJTFRBOGE-YWVDXFKGSA-N 1 0 386.290 1.423 20 0 GDADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)NC/C=C\C[NH3+] ZINC000641867947 531854756 /nfs/dbraw/zinc/85/47/56/531854756.db2.gz XOKPFEJPCGUFHN-IHWYPQMZSA-N 1 0 379.262 1.686 20 0 GDADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624387910 531840441 /nfs/dbraw/zinc/84/04/41/531840441.db2.gz FUDRIOZWWBMNAA-UHFFFAOYSA-N 1 0 381.267 1.683 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)NC2CCC([NH3+])CC2)c1 ZINC000418788144 531840461 /nfs/dbraw/zinc/84/04/61/531840461.db2.gz VDRGFJCSYINUCL-UHFFFAOYSA-N 1 0 384.274 1.460 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418796107 531840552 /nfs/dbraw/zinc/84/05/52/531840552.db2.gz SVQYWUUFIYHRLX-FZMZJTMJSA-N 1 0 390.253 1.299 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1cnn2cc(Br)cnc12)[NH+](C)C ZINC000641607695 531841039 /nfs/dbraw/zinc/84/10/39/531841039.db2.gz XJBBXWORWHOBHM-SECBINFHSA-N 1 0 376.280 1.110 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000418786913 531841127 /nfs/dbraw/zinc/84/11/27/531841127.db2.gz SUGVMZVSYHTRHH-QGZVFWFLSA-N 1 0 398.301 1.580 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418800491 531841148 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GDADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000641623187 531844340 /nfs/dbraw/zinc/84/43/40/531844340.db2.gz GBVRETNWTKKAOR-OAGGEKHMSA-N 1 0 380.576 1.193 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000563446781 531844785 /nfs/dbraw/zinc/84/47/85/531844785.db2.gz XEXXLTMHUWCSQQ-KCJUWKMLSA-N 1 0 381.267 1.873 20 0 GDADRO C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000671071421 531845165 /nfs/dbraw/zinc/84/51/65/531845165.db2.gz NRICFZDKYNZVSI-JMSVASOKSA-N 1 0 381.464 1.729 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000563443423 531845446 /nfs/dbraw/zinc/84/54/46/531845446.db2.gz WSFOLJQLNASCKG-STQMWFEESA-N 1 0 378.281 1.067 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(F)cc3Br)C[C@H]21 ZINC000418824535 531847330 /nfs/dbraw/zinc/84/73/30/531847330.db2.gz SSYYDXBUNJXJHF-UXIGCNINSA-N 1 0 398.276 1.790 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1cc(F)c(Cl)cc1Cl ZINC000418828571 531847381 /nfs/dbraw/zinc/84/73/81/531847381.db2.gz CVNCWIHLYWPIGJ-ZJUUUORDSA-N 1 0 392.258 1.804 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(Br)c1 ZINC000595123469 531866802 /nfs/dbraw/zinc/86/68/02/531866802.db2.gz ZWKWHSUPIDKUII-GHMZBOCLSA-N 1 0 395.250 1.296 20 0 GDADRO O=C(N[C@H]1CCc2cc(Br)ccc21)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418940406 531867277 /nfs/dbraw/zinc/86/72/77/531867277.db2.gz JCNPGUVBANXAKJ-HIFRSBDPSA-N 1 0 380.286 1.811 20 0 GDADRO CN(C(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21)C1CC[NH2+]CC1 ZINC000418940838 531867419 /nfs/dbraw/zinc/86/74/19/531867419.db2.gz JJGCMYCGRRBMBB-OAHLLOKOSA-N 1 0 380.286 1.763 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000624962168 531868209 /nfs/dbraw/zinc/86/82/09/531868209.db2.gz WHIZCCZEYIIBPX-CYBMUJFWSA-N 1 0 375.441 1.974 20 0 GDADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@@H](O)CN3CCOCC3)nc12 ZINC000564873556 531868735 /nfs/dbraw/zinc/86/87/35/531868735.db2.gz PVQUVUGSQLTGRS-OAHLLOKOSA-N 1 0 383.290 1.188 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418944661 531868981 /nfs/dbraw/zinc/86/89/81/531868981.db2.gz OEYHSJHCZINZDG-XHDPSFHLSA-N 1 0 380.286 1.668 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC1 ZINC000283357387 531855901 /nfs/dbraw/zinc/85/59/01/531855901.db2.gz HRVTYVJTTKVDQU-UHFFFAOYSA-N 1 0 394.313 1.934 20 0 GDADRO CN1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000563595093 531856460 /nfs/dbraw/zinc/85/64/60/531856460.db2.gz QHGAEINANOUYTL-KBPBESRZSA-N 1 0 386.327 1.856 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000642351404 531857798 /nfs/dbraw/zinc/85/77/98/531857798.db2.gz PCAMIWLXPJGHAU-FZMZJTMJSA-N 1 0 396.285 1.647 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000418867172 531858187 /nfs/dbraw/zinc/85/81/87/531858187.db2.gz NYHFZMOUGYRGRV-VXGBXAGGSA-N 1 0 383.290 1.479 20 0 GDADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642327601 531858368 /nfs/dbraw/zinc/85/83/68/531858368.db2.gz OWOHDDLLGQFPOI-JSGCOSHPSA-N 1 0 396.285 1.647 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642327464 531858440 /nfs/dbraw/zinc/85/84/40/531858440.db2.gz CSCNXWPRBKJQSG-GFCCVEGCSA-N 1 0 382.302 1.755 20 0 GDADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000563633554 531858530 /nfs/dbraw/zinc/85/85/30/531858530.db2.gz LXNGBLGJFFFBRQ-AMIZOPFISA-N 1 0 384.299 1.436 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CCO1 ZINC000642351386 531858546 /nfs/dbraw/zinc/85/85/46/531858546.db2.gz NUPFCKDXXKAPIO-NHYWBVRUSA-N 1 0 388.295 1.617 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000418868171 531858672 /nfs/dbraw/zinc/85/86/72/531858672.db2.gz PJIHBOVHNSFTTA-LLVKDONJSA-N 1 0 383.290 1.479 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccc(Br)cc1 ZINC000418871223 531859162 /nfs/dbraw/zinc/85/91/62/531859162.db2.gz UYVSGAVVDKMJHP-MRVWCRGKSA-N 1 0 380.286 1.694 20 0 GDADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)N(CCO)CC(F)F ZINC000283402953 531859222 /nfs/dbraw/zinc/85/92/22/531859222.db2.gz KHEBGLXITLXSCX-LBPRGKRZSA-N 1 0 375.441 1.087 20 0 GDADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418878723 531860339 /nfs/dbraw/zinc/86/03/39/531860339.db2.gz AULJPBBSLRKZTO-QPUJVOFHSA-N 1 0 386.221 1.088 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418890433 531861118 /nfs/dbraw/zinc/86/11/18/531861118.db2.gz JWAAKTKPDAMRFW-JOCQHMNTSA-N 1 0 388.295 1.708 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)cc1Br ZINC000642740686 531863405 /nfs/dbraw/zinc/86/34/05/531863405.db2.gz BEXXGDVQXXGJTE-LBPRGKRZSA-N 1 0 384.274 1.332 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000642726276 531863460 /nfs/dbraw/zinc/86/34/60/531863460.db2.gz HOAMIFLIZTVXRL-GFCCVEGCSA-N 1 0 382.302 1.841 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418919294 531863530 /nfs/dbraw/zinc/86/35/30/531863530.db2.gz ACQLSLNWCAIESI-OKILXGFUSA-N 1 0 384.249 1.557 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)Oc1ccccc1Br ZINC000642777819 531863895 /nfs/dbraw/zinc/86/38/95/531863895.db2.gz DIPLKBBUYFCGAN-QWHCGFSZSA-N 1 0 398.301 1.591 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418921304 531863812 /nfs/dbraw/zinc/86/38/12/531863812.db2.gz IZMVGPPMGJFJFZ-CYBMUJFWSA-N 1 0 386.265 1.587 20 0 GDADRO Cc1nc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)n1C ZINC000367798478 531864920 /nfs/dbraw/zinc/86/49/20/531864920.db2.gz CPHXPBHUZNLFQW-FOSCPWQOSA-N 1 0 391.335 1.737 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418946263 531870749 /nfs/dbraw/zinc/87/07/49/531870749.db2.gz LAOFKBRLDNLRBG-LBPRGKRZSA-N 1 0 384.274 1.012 20 0 GDADRO C[C@@H](C[NH3+])CNS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000564960326 531871577 /nfs/dbraw/zinc/87/15/77/531871577.db2.gz NJPMVSLINCVMBB-VIFPVBQESA-N 1 0 398.312 1.334 20 0 GDADRO O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418952466 531872034 /nfs/dbraw/zinc/87/20/34/531872034.db2.gz VLKAPBODJVLKJK-GJZGRUSLSA-N 1 0 380.286 1.885 20 0 GDADRO C[C@H](NC(=O)C(=O)NCC[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000418961955 531872149 /nfs/dbraw/zinc/87/21/49/531872149.db2.gz GDBGMPMHSASNGL-VIFPVBQESA-N 1 0 397.298 1.825 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCC[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000418961954 531872211 /nfs/dbraw/zinc/87/22/11/531872211.db2.gz GDBGMPMHSASNGL-SECBINFHSA-N 1 0 397.298 1.825 20 0 GDADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418969986 531874144 /nfs/dbraw/zinc/87/41/44/531874144.db2.gz JVGUCXBYZUXPCW-MWLCHTKSSA-N 1 0 394.273 1.198 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000565660306 531875262 /nfs/dbraw/zinc/87/52/62/531875262.db2.gz YLGIMYZMARYRHD-NWDGAFQWSA-N 1 0 388.511 1.554 20 0 GDADRO CN(CC(=O)NC[C@@H](c1cccs1)[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000298315830 531875306 /nfs/dbraw/zinc/87/53/06/531875306.db2.gz QKOBTXPZIUHHIO-HNNXBMFYSA-N 1 0 381.523 1.788 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418976315 531875830 /nfs/dbraw/zinc/87/58/30/531875830.db2.gz SECPPSXFGPNUCN-SNVBAGLBSA-N 1 0 382.262 1.041 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000418982013 531876303 /nfs/dbraw/zinc/87/63/03/531876303.db2.gz APWWBJIMJHEFRM-JSGCOSHPSA-N 1 0 382.302 1.694 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])ccc1Br ZINC000418993858 531876998 /nfs/dbraw/zinc/87/69/98/531876998.db2.gz PUAINRRBNGZAAO-XHDPSFHLSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000283589124 531877293 /nfs/dbraw/zinc/87/72/93/531877293.db2.gz TVXXWDDHEISIEH-AWEZNQCLSA-N 1 0 382.555 1.752 20 0 GDADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000566070395 531878976 /nfs/dbraw/zinc/87/89/76/531878976.db2.gz LPGYAJTVIIRHAG-CYBMUJFWSA-N 1 0 399.925 1.765 20 0 GDADRO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000566092542 531879033 /nfs/dbraw/zinc/87/90/33/531879033.db2.gz NRKHWHSHKBXAQV-ZJUUUORDSA-N 1 0 382.313 1.670 20 0 GDADRO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000566092540 531879238 /nfs/dbraw/zinc/87/92/38/531879238.db2.gz NRKHWHSHKBXAQV-UWVGGRQHSA-N 1 0 382.313 1.670 20 0 GDADRO Cn1cc([C@@H]2CN(CCC(=O)Nc3ccc(Br)cc3)C[C@H]2[NH3+])cn1 ZINC000566096505 531879734 /nfs/dbraw/zinc/87/97/34/531879734.db2.gz VFSDGGRTULIYDQ-JKSUJKDBSA-N 1 0 392.301 1.938 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000419013589 531879968 /nfs/dbraw/zinc/87/99/68/531879968.db2.gz ZYDOVMKZYQPXDD-DMDPSCGWSA-N 1 0 398.301 1.879 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1Br ZINC000419011858 531880508 /nfs/dbraw/zinc/88/05/08/531880508.db2.gz UDDAIHSEITWKPC-RNCFNFMXSA-N 1 0 384.274 1.488 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000419015248 531880753 /nfs/dbraw/zinc/88/07/53/531880753.db2.gz BFNUPDCBZZUVGX-GUYCJALGSA-N 1 0 396.285 1.586 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000566108232 531881164 /nfs/dbraw/zinc/88/11/64/531881164.db2.gz UCYTYYVYKAEJBS-CQSZACIVSA-N 1 0 380.432 1.622 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419023229 531881304 /nfs/dbraw/zinc/88/13/04/531881304.db2.gz OIGAEONCYXBZHT-OLZOCXBDSA-N 1 0 384.274 1.488 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419017299 531882159 /nfs/dbraw/zinc/88/21/59/531882159.db2.gz GAOWGMPHGLPNHO-DGCLKSJQSA-N 1 0 382.258 1.257 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000419027499 531882782 /nfs/dbraw/zinc/88/27/82/531882782.db2.gz VZBNJOWDUZCGTL-STQMWFEESA-N 1 0 382.258 1.242 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419029582 531883444 /nfs/dbraw/zinc/88/34/44/531883444.db2.gz YMPOWFDRRATUIO-YPMHNXCESA-N 1 0 382.258 1.257 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419031618 531884229 /nfs/dbraw/zinc/88/42/29/531884229.db2.gz AKNMYTCDVQTCQH-UHFFFAOYSA-N 1 0 382.675 1.868 20 0 GDADRO CS(=O)(=O)N1CC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000566317892 531884217 /nfs/dbraw/zinc/88/42/17/531884217.db2.gz JZYFIZRYHQWEOR-KBPBESRZSA-N 1 0 386.543 1.218 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1OC ZINC000566687082 531891249 /nfs/dbraw/zinc/89/12/49/531891249.db2.gz VNJHSHSVZLBOJR-MWLCHTKSSA-N 1 0 375.878 1.209 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C[C@H]1[NH3+] ZINC000419081914 531899517 /nfs/dbraw/zinc/89/95/17/531899517.db2.gz STBVGNXYRUEPKK-BXUZGUMPSA-N 1 0 380.286 1.403 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419053398 531892705 /nfs/dbraw/zinc/89/27/05/531892705.db2.gz JUMLPSXTAWWKPP-YUELXQCFSA-N 1 0 394.313 1.849 20 0 GDADRO CC[C@H]([NH2+]C)C(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000595928750 531893076 /nfs/dbraw/zinc/89/30/76/531893076.db2.gz NJTDCPJRWLHMSO-YPMHNXCESA-N 1 0 392.237 1.145 20 0 GDADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)[NH+](C)C ZINC000674266789 531893367 /nfs/dbraw/zinc/89/33/67/531893367.db2.gz YLNBIOHYRRZBEF-NSHDSACASA-N 1 0 394.324 1.776 20 0 GDADRO CC(C)[NH2+]CC(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000595928591 531893351 /nfs/dbraw/zinc/89/33/51/531893351.db2.gz LYYNIJFZARUGMM-LBPRGKRZSA-N 1 0 392.237 1.145 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC000647272153 531893462 /nfs/dbraw/zinc/89/34/62/531893462.db2.gz AVFAXJNCZLUQFV-TXEJJXNPSA-N 1 0 393.303 1.632 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419055215 531893588 /nfs/dbraw/zinc/89/35/88/531893588.db2.gz NTCKNONUIWSZBK-CMPLNLGQSA-N 1 0 386.265 1.504 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419053924 531894057 /nfs/dbraw/zinc/89/40/57/531894057.db2.gz KVSJDGWILLKHKQ-JTQLQIEISA-N 1 0 386.265 1.585 20 0 GDADRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)C1 ZINC000647271819 531894337 /nfs/dbraw/zinc/89/43/37/531894337.db2.gz LDAGVJUKNUUSSK-DTORHVGOSA-N 1 0 389.264 1.307 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419057785 531895086 /nfs/dbraw/zinc/89/50/86/531895086.db2.gz VKKHMMCAHXZMSZ-CYBMUJFWSA-N 1 0 382.302 1.884 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000419056534 531895173 /nfs/dbraw/zinc/89/51/73/531895173.db2.gz RJGBFLBLNHHZPW-WDEREUQCSA-N 1 0 388.281 1.607 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(Br)c2Cl)[C@H](C)C[NH2+]1 ZINC000419056372 531895387 /nfs/dbraw/zinc/89/53/87/531895387.db2.gz QZQVKPXFLLXGCM-NXEZZACHSA-N 1 0 388.693 1.928 20 0 GDADRO O=C(NCc1cccc(Br)c1Cl)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419060675 531896307 /nfs/dbraw/zinc/89/63/07/531896307.db2.gz ZTUMLJSMFNJPEZ-PHIMTYICSA-N 1 0 386.677 1.397 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000298510221 531896699 /nfs/dbraw/zinc/89/66/99/531896699.db2.gz PXYNCQVORDLWEN-AWEZNQCLSA-N 1 0 389.543 1.138 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000283800694 531897302 /nfs/dbraw/zinc/89/73/02/531897302.db2.gz AOAYFWJKTHLYNN-CVEARBPZSA-N 1 0 394.313 1.851 20 0 GDADRO CN1CCN(S(=O)(=O)c2cccc(Cl)c2Br)[C@H](C[NH3+])C1 ZINC000567592666 531897480 /nfs/dbraw/zinc/89/74/80/531897480.db2.gz BHRXPFYOAZVGHW-SECBINFHSA-N 1 0 382.711 1.366 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419075846 531897493 /nfs/dbraw/zinc/89/74/93/531897493.db2.gz GMUPIGVKSZYKBT-ZDUSSCGKSA-N 1 0 394.313 1.713 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000647874712 531899241 /nfs/dbraw/zinc/89/92/41/531899241.db2.gz OTTJHDIBIBRFEA-LBPRGKRZSA-N 1 0 377.304 1.857 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)NCCOCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000283690992 531885024 /nfs/dbraw/zinc/88/50/24/531885024.db2.gz OYIHQXNUUXUUAO-OAHLLOKOSA-N 1 0 391.921 1.303 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419043256 531888683 /nfs/dbraw/zinc/88/86/83/531888683.db2.gz NCZSJZKJOLYXMZ-BBBLOLIVSA-N 1 0 378.420 1.925 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1ccc(Br)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000419042475 531888827 /nfs/dbraw/zinc/88/88/27/531888827.db2.gz PLILHVIVSSKPGW-JQWIXIFHSA-N 1 0 386.265 1.709 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419043119 531888879 /nfs/dbraw/zinc/88/88/79/531888879.db2.gz NCMWXDBMTQGGSH-CABZTGNLSA-N 1 0 375.803 1.672 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3c(F)cc(Br)cc3F)CCN2C1=O ZINC000566505573 531889423 /nfs/dbraw/zinc/88/94/23/531889423.db2.gz YANULZFXDPCGHL-KCJUWKMLSA-N 1 0 389.200 1.503 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(I)cn2)C[C@H]1[NH+](C)C ZINC000456002434 531889430 /nfs/dbraw/zinc/88/94/30/531889430.db2.gz NMZPAOZHOHHTFM-VXGBXAGGSA-N 1 0 391.278 1.804 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419046346 531889889 /nfs/dbraw/zinc/88/98/89/531889889.db2.gz XVUZQBQFOGVIAY-NEPJUHHUSA-N 1 0 384.249 1.557 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)C[C@H]1[NH+](C)C ZINC000270536483 531890374 /nfs/dbraw/zinc/89/03/74/531890374.db2.gz WMNVAPBWWJNGQI-KGLIPLIRSA-N 1 0 375.491 1.315 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000419156155 531905855 /nfs/dbraw/zinc/90/58/55/531905855.db2.gz UYVSGAVVDKMJHP-YUTCNCBUSA-N 1 0 380.286 1.694 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCO[C@H](c3cccs3)C2)CCSC1 ZINC000283890586 531906624 /nfs/dbraw/zinc/90/66/24/531906624.db2.gz CJQBVIKMJSEMFS-GUYCJALGSA-N 1 0 383.539 1.202 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419164807 531906793 /nfs/dbraw/zinc/90/67/93/531906793.db2.gz MVSZZOAPCCERIP-NHYWBVRUSA-N 1 0 388.295 1.740 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1Br ZINC000419162995 531907049 /nfs/dbraw/zinc/90/70/49/531907049.db2.gz IKPLKDBKYZMCPS-MJBXVCDLSA-N 1 0 380.286 1.569 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000419161303 531907191 /nfs/dbraw/zinc/90/71/91/531907191.db2.gz CXFGZEOMKSDHRJ-FZMZJTMJSA-N 1 0 388.295 1.870 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1Br ZINC000419164467 531907542 /nfs/dbraw/zinc/90/75/42/531907542.db2.gz LYVXGERIRRGNGB-KGLIPLIRSA-N 1 0 380.286 1.727 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368372003 531908151 /nfs/dbraw/zinc/90/81/51/531908151.db2.gz YSHGRPKNOWFURW-QMTHXVAHSA-N 1 0 392.253 1.256 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N(C)CCC[NH3+])c(I)c1 ZINC000568488112 531908338 /nfs/dbraw/zinc/90/83/38/531908338.db2.gz ZPOOFPLLDIQIAQ-UHFFFAOYSA-N 1 0 393.200 1.484 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419168008 531909079 /nfs/dbraw/zinc/90/90/79/531909079.db2.gz RHEGFPHIUGTGJN-ZDUSSCGKSA-N 1 0 382.302 1.961 20 0 GDADRO CN(CC(=O)N[C@H]1C[NH2+]CCC1(F)F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000568510404 531909213 /nfs/dbraw/zinc/90/92/13/531909213.db2.gz MCBTTWMNBXESHS-LBPRGKRZSA-N 1 0 381.832 1.074 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 ZINC000419166772 531909224 /nfs/dbraw/zinc/90/92/24/531909224.db2.gz PMNSXRDEKAQRID-UHFFFAOYSA-N 1 0 388.295 1.824 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000648142520 531909316 /nfs/dbraw/zinc/90/93/16/531909316.db2.gz TZPBCMSCXMNWTJ-NEPJUHHUSA-N 1 0 393.289 1.739 20 0 GDADRO CC1CC[NH+](CCNC(=O)C(=O)NCc2ccsc2Br)CC1 ZINC000283935038 531910107 /nfs/dbraw/zinc/91/01/07/531910107.db2.gz GXRWHMSJRPOCGJ-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO CC(=O)NCC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC000456376306 531910140 /nfs/dbraw/zinc/91/01/40/531910140.db2.gz RXHOUROEBDWMNH-NSHDSACASA-N 1 0 383.290 1.664 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCO[C@H](c3ccsc3)C2)CCSC1 ZINC000283929572 531910355 /nfs/dbraw/zinc/91/03/55/531910355.db2.gz FCANVSLISPHMSO-WMLDXEAASA-N 1 0 383.539 1.202 20 0 GDADRO CS[C@H]1CN(Cc2nnnn2-c2ccccc2Br)C[C@@H]1[NH+](C)C ZINC000270697751 531910585 /nfs/dbraw/zinc/91/05/85/531910585.db2.gz ZOQFPHRPNNZXBZ-KBPBESRZSA-N 1 0 397.346 1.902 20 0 GDADRO CCC[N@H+](C)[C@@H](CNC(=O)[C@H]1CCN(C)S1(=O)=O)c1ccc(Cl)cc1 ZINC000648388438 531910673 /nfs/dbraw/zinc/91/06/73/531910673.db2.gz SNCDSIAYSWTXKR-JKSUJKDBSA-N 1 0 387.933 1.873 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000648385267 531911277 /nfs/dbraw/zinc/91/12/77/531911277.db2.gz YRRGXVYZXMJZTI-FPMFFAJLSA-N 1 0 382.302 1.614 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419197474 531912106 /nfs/dbraw/zinc/91/21/06/531912106.db2.gz BDQTYWXYERZKPZ-KRWDZBQOSA-N 1 0 396.285 1.286 20 0 GDADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000675782811 531912718 /nfs/dbraw/zinc/91/27/18/531912718.db2.gz YSDAIRNTTWNWBG-ZDUSSCGKSA-N 1 0 397.317 1.530 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419202755 531912819 /nfs/dbraw/zinc/91/28/19/531912819.db2.gz GYYLNOWUHSXWEB-NWDGAFQWSA-N 1 0 398.301 1.578 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419202155 531913187 /nfs/dbraw/zinc/91/31/87/531913187.db2.gz GGQNMLBIZNCWOM-RISCZKNCSA-N 1 0 398.301 1.802 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccccc1Br ZINC000419206013 531913238 /nfs/dbraw/zinc/91/32/38/531913238.db2.gz MBVOGLGOEWTZQT-ZFWWWQNUSA-N 1 0 382.302 1.742 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](CN2CCOc3c(Br)cccc3C2)C1 ZINC000368478411 531914346 /nfs/dbraw/zinc/91/43/46/531914346.db2.gz OPHHXSCCVFUUQJ-LBPRGKRZSA-N 1 0 389.315 1.925 20 0 GDADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595964348 531900610 /nfs/dbraw/zinc/90/06/10/531900610.db2.gz YZVLZJUVHVTDKJ-ZYHUDNBSSA-N 1 0 394.640 1.925 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000567800532 531900892 /nfs/dbraw/zinc/90/08/92/531900892.db2.gz UVMATZKUMRWGLP-VIFPVBQESA-N 1 0 375.313 1.588 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000419105623 531901020 /nfs/dbraw/zinc/90/10/20/531901020.db2.gz UVRKVVVPBAPTDP-AWEZNQCLSA-N 1 0 385.295 1.118 20 0 GDADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2cc(Cl)cnc2N)ccn1 ZINC000270612246 531900974 /nfs/dbraw/zinc/90/09/74/531900974.db2.gz YMOYQQNOZIZHKJ-UHFFFAOYSA-N 1 0 385.877 1.131 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419130196 531901980 /nfs/dbraw/zinc/90/19/80/531901980.db2.gz AZMSFYSLDCPSIB-CQSZACIVSA-N 1 0 398.301 1.360 20 0 GDADRO O=C(NCCCOc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419129959 531902723 /nfs/dbraw/zinc/90/27/23/531902723.db2.gz DURGRYMKGLCSPS-RISCZKNCSA-N 1 0 386.279 1.699 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419130235 531903132 /nfs/dbraw/zinc/90/31/32/531903132.db2.gz DZTXJLDKKFOFJV-TVQRCGJNSA-N 1 0 388.693 1.833 20 0 GDADRO O=C1CNCCN1[C@H]1CCC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000647909626 531903192 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CN1CCN(c2ncc(Br)cc2NC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000569083783 531918312 /nfs/dbraw/zinc/91/83/12/531918312.db2.gz WLGRZWDIDDCWKL-CYBMUJFWSA-N 1 0 397.321 1.551 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)[C@H](C)C[NH2+]1 ZINC000419254100 531918615 /nfs/dbraw/zinc/91/86/15/531918615.db2.gz VDNLPRITCYRWMN-GIPNMCIBSA-N 1 0 398.326 1.921 20 0 GDADRO NC(=O)c1c(F)cc(Br)cc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000678310746 531919163 /nfs/dbraw/zinc/91/91/63/531919163.db2.gz NUUUMWCQOATIKY-JSGCOSHPSA-N 1 0 386.265 1.723 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419258980 531919220 /nfs/dbraw/zinc/91/92/20/531919220.db2.gz KDAGQCYFDHBYTA-RISCZKNCSA-N 1 0 384.274 1.201 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)[C@@H]1C[NH3+] ZINC000419260536 531919511 /nfs/dbraw/zinc/91/95/11/531919511.db2.gz OGHYPESGRFGKHP-IUODEOHRSA-N 1 0 398.301 1.530 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000419298835 531920696 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GDADRO C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000627464496 531954117 /nfs/dbraw/zinc/95/41/17/531954117.db2.gz DAHLJIOUHNHANY-OAHLLOKOSA-N 1 0 398.301 1.465 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)s1 ZINC000299066092 531954226 /nfs/dbraw/zinc/95/42/26/531954226.db2.gz UYRNZYJQSXHJDW-AWEZNQCLSA-N 1 0 387.571 1.827 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000627803179 531964811 /nfs/dbraw/zinc/96/48/11/531964811.db2.gz CGMGDWMSGQCCMG-MRVPVSSYSA-N 1 0 376.201 1.876 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000572357334 531964912 /nfs/dbraw/zinc/96/49/12/531964912.db2.gz PCTZAVMENDEGFV-OAHLLOKOSA-N 1 0 380.432 1.480 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000271097636 531965474 /nfs/dbraw/zinc/96/54/74/531965474.db2.gz LZYLDWSFKBARKL-CABCVRRESA-N 1 0 391.946 1.965 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000419763012 531966793 /nfs/dbraw/zinc/96/67/93/531966793.db2.gz SZAVIWVJYXMHMK-GFCCVEGCSA-N 1 0 385.295 1.638 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419779628 531967450 /nfs/dbraw/zinc/96/74/50/531967450.db2.gz NFQWIUFOVHAGAU-DIFFPNOSSA-N 1 0 398.301 1.832 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419774928 531968096 /nfs/dbraw/zinc/96/80/96/531968096.db2.gz ISASDNOXCJKUEQ-PWSUYJOCSA-N 1 0 384.274 1.503 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000419783548 531968811 /nfs/dbraw/zinc/96/88/11/531968811.db2.gz SKRNOSBDCHFLFX-GVXVVHGQSA-N 1 0 398.301 1.892 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000419781061 531968868 /nfs/dbraw/zinc/96/88/68/531968868.db2.gz PPFHTXWCCGKEJK-CQSZACIVSA-N 1 0 386.265 1.881 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1cc(F)cc(Br)c1 ZINC000419785525 531969165 /nfs/dbraw/zinc/96/91/65/531969165.db2.gz WPJDCLPMSPLMNL-HZMBPMFUSA-N 1 0 386.265 1.976 20 0 GDADRO C[C@@H]1CN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C[C@H](C)[N@H+]1C ZINC000457936116 531969650 /nfs/dbraw/zinc/96/96/50/531969650.db2.gz FKHCXTAOOPXEAJ-BETUJISGSA-N 1 0 397.317 1.913 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000271138369 531970782 /nfs/dbraw/zinc/97/07/82/531970782.db2.gz XINFWYATFUSIRN-STQMWFEESA-N 1 0 392.930 1.793 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000271135663 531971429 /nfs/dbraw/zinc/97/14/29/531971429.db2.gz QYXBWROMMYBSIH-QWHCGFSZSA-N 1 0 391.295 1.818 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419812729 531971673 /nfs/dbraw/zinc/97/16/73/531971673.db2.gz HZKLLMHVZRRGMM-LALPHHSUSA-N 1 0 382.302 1.611 20 0 GDADRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000419811934 531971802 /nfs/dbraw/zinc/97/18/02/531971802.db2.gz HRUFJGXWHOLEDK-NVXWUHKLSA-N 1 0 387.318 1.897 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Br)cc2)C1 ZINC000419807425 531972468 /nfs/dbraw/zinc/97/24/68/531972468.db2.gz FTZGINVVQRXTRD-HIFRSBDPSA-N 1 0 396.329 1.954 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419806485 531972885 /nfs/dbraw/zinc/97/28/85/531972885.db2.gz FMNDEWUOVAMOJJ-MBNYWOFBSA-N 1 0 382.302 1.692 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Br)cc2)C1 ZINC000419814506 531974510 /nfs/dbraw/zinc/97/45/10/531974510.db2.gz JGYZEVJVTGHRQU-TZMCWYRMSA-N 1 0 382.302 1.564 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1Br ZINC000419830197 531974927 /nfs/dbraw/zinc/97/49/27/531974927.db2.gz FVSQTIIISCLVAS-NWDGAFQWSA-N 1 0 377.304 1.737 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000271176260 531975433 /nfs/dbraw/zinc/97/54/33/531975433.db2.gz YBFBIEIOAJHHTK-GFCCVEGCSA-N 1 0 384.274 1.472 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419863444 531979031 /nfs/dbraw/zinc/97/90/31/531979031.db2.gz ROITWEJMAWHKOQ-NSHDSACASA-N 1 0 386.265 1.662 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000419828968 531975585 /nfs/dbraw/zinc/97/55/85/531975585.db2.gz DKURKIJOFNMZAU-UHFFFAOYSA-N 1 0 398.301 1.422 20 0 GDADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)NCCC[NH3+] ZINC000419843815 531977033 /nfs/dbraw/zinc/97/70/33/531977033.db2.gz YDQJEOFSZVQEGQ-RISCZKNCSA-N 1 0 384.274 1.203 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000299293869 531977181 /nfs/dbraw/zinc/97/71/81/531977181.db2.gz QNUGSDCSGMJSMX-NSHDSACASA-N 1 0 394.324 1.872 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000419841860 531977195 /nfs/dbraw/zinc/97/71/95/531977195.db2.gz AMAGKESXNCJSEV-UHFFFAOYSA-N 1 0 398.276 1.731 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N[C@@H]1CCC[NH2+]CC1 ZINC000370019469 531977961 /nfs/dbraw/zinc/97/79/61/531977961.db2.gz KQBFQQXXUAVEIW-CQSZACIVSA-N 1 0 385.555 1.724 20 0 GDADRO Cc1ccccc1OC[C@@H](O)C[NH2+]CCn1cc(Br)ccc1=O ZINC000573237917 531978484 /nfs/dbraw/zinc/97/84/84/531978484.db2.gz FBFLBYMMOHHHJJ-HNNXBMFYSA-N 1 0 381.270 1.949 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC[NH+](C)C)c1 ZINC000299305673 531978724 /nfs/dbraw/zinc/97/87/24/531978724.db2.gz DHISPCQKYFKRAC-UHFFFAOYSA-N 1 0 391.921 1.336 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1OC ZINC000598727553 531992622 /nfs/dbraw/zinc/99/26/22/531992622.db2.gz XJAJVFFPMZDHSN-QFYYESIMSA-N 1 0 388.873 1.637 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)COc1ccc(F)cc1Br ZINC000419981510 531992925 /nfs/dbraw/zinc/99/29/25/531992925.db2.gz ABCMCKPVGLLHOJ-OAHLLOKOSA-N 1 0 377.254 1.786 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000419991701 531993131 /nfs/dbraw/zinc/99/31/31/531993131.db2.gz LCDRZNWJVJRQCX-JTQLQIEISA-N 1 0 386.265 1.933 20 0 GDADRO O=C(NCCc1ccc(I)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000598392759 531979407 /nfs/dbraw/zinc/97/94/07/531979407.db2.gz IXIPBCXDDHVCAJ-HNNXBMFYSA-N 1 0 399.276 1.340 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)C1CC1 ZINC000419863173 531979554 /nfs/dbraw/zinc/97/95/54/531979554.db2.gz NMQPCUNNMNJWBL-GJZGRUSLSA-N 1 0 396.285 1.203 20 0 GDADRO CC[C@H](CN(C)C(=O)C(=O)NCC[NH2+]C)Oc1ccc(Cl)c(Cl)c1 ZINC000419880159 531980761 /nfs/dbraw/zinc/98/07/61/531980761.db2.gz UJYUTNINHCFXFL-LLVKDONJSA-N 1 0 376.284 1.945 20 0 GDADRO CCc1ncc(S(=O)(=O)N2CCCN(C3CC[NH+](CC)CC3)CC2)s1 ZINC000573365815 531980952 /nfs/dbraw/zinc/98/09/52/531980952.db2.gz YVNJXYAVDIWYTJ-UHFFFAOYSA-N 1 0 386.587 1.886 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCc2cccc(Br)c2C1 ZINC000419894415 531982027 /nfs/dbraw/zinc/98/20/27/531982027.db2.gz OVHNVPSJFHVBIB-LBPRGKRZSA-N 1 0 380.286 1.450 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000419890134 531982300 /nfs/dbraw/zinc/98/23/00/531982300.db2.gz HVLAEOKGGNRARF-SWLSCSKDSA-N 1 0 386.279 1.762 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000419887547 531982533 /nfs/dbraw/zinc/98/25/33/531982533.db2.gz FFEWNXUGSFHGNR-NFAWXSAZSA-N 1 0 395.301 1.894 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000458383751 531983073 /nfs/dbraw/zinc/98/30/73/531983073.db2.gz TWAYKTUKZOLBRX-CABCVRRESA-N 1 0 376.567 1.514 20 0 GDADRO Cc1cc(C(N)=O)cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000656931637 531983295 /nfs/dbraw/zinc/98/32/95/531983295.db2.gz QVCRUGSUEXBNRM-UHFFFAOYSA-N 1 0 381.523 1.908 20 0 GDADRO Cc1nc(CNC(=O)NCC2CC[NH+](CCO)CC2)sc1Br ZINC000458376914 531983462 /nfs/dbraw/zinc/98/34/62/531983462.db2.gz VTUJPRHFFUZKMS-UHFFFAOYSA-N 1 0 391.335 1.718 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)Cc1cc(Br)cs1)[C@H]1CCC[NH2+]C1 ZINC000419904790 531983623 /nfs/dbraw/zinc/98/36/23/531983623.db2.gz VRDLWNZZUSBBAV-MNOVXSKESA-N 1 0 388.331 1.973 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000419896458 531983808 /nfs/dbraw/zinc/98/38/08/531983808.db2.gz XRCYJPWSIDASPC-CYBMUJFWSA-N 1 0 396.285 1.297 20 0 GDADRO O[C@H](C[NH2+]C[C@H](O)[C@H]1CCCO1)COc1ccc(Cl)cc1Br ZINC000629590095 531984023 /nfs/dbraw/zinc/98/40/23/531984023.db2.gz LAPSRQZUBLBULC-OSAQELSMSA-N 1 0 394.693 1.972 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000419911307 531984966 /nfs/dbraw/zinc/98/49/66/531984966.db2.gz JLPXWTPFVWKMES-IUODEOHRSA-N 1 0 395.301 1.623 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419911602 531985358 /nfs/dbraw/zinc/98/53/58/531985358.db2.gz JXVKNSMOTYKZFV-OLZOCXBDSA-N 1 0 394.313 1.838 20 0 GDADRO CN(C(=O)C(=O)NCC1C[NH2+]C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000419917589 531985382 /nfs/dbraw/zinc/98/53/82/531985382.db2.gz BLYKHEXISYESHH-CYBMUJFWSA-N 1 0 398.326 1.780 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419927607 531986417 /nfs/dbraw/zinc/98/64/17/531986417.db2.gz WPFDSSCBAJWNRF-NEPJUHHUSA-N 1 0 380.286 1.448 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000419994173 531994809 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20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000420035634 531997463 /nfs/dbraw/zinc/99/74/63/531997463.db2.gz ZEFFXIJJPBYHDT-SDBXPKJASA-N 1 0 378.231 1.496 20 0 GDADRO COc1cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c(F)cc1Br ZINC000631127407 531999235 /nfs/dbraw/zinc/99/92/35/531999235.db2.gz GBGJPOHRHBMASP-UHFFFAOYSA-N 1 0 381.267 1.767 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000370673316 531999238 /nfs/dbraw/zinc/99/92/38/531999238.db2.gz LYYPJHPBJVTVLX-NWDGAFQWSA-N 1 0 388.331 1.745 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000420041671 531999449 /nfs/dbraw/zinc/99/94/49/531999449.db2.gz PYVCLQFKNNCKCU-FZMZJTMJSA-N 1 0 398.301 1.637 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000420054314 531999644 /nfs/dbraw/zinc/99/96/44/531999644.db2.gz YBRZRVHKIYAKJQ-SMDDNHRTSA-N 1 0 398.305 1.053 20 0 GDADRO COCCc1ncc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)s1 ZINC000631100355 531999888 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O=S(=O)(CCc1cccs1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657087498 532001502 /nfs/dbraw/zinc/00/15/02/532001502.db2.gz ZBGPYRUGERKQKJ-QGZVFWFLSA-N 1 0 380.535 1.977 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000420122638 532004161 /nfs/dbraw/zinc/00/41/61/532004161.db2.gz LMNZPWIEMOWDME-WFASDCNBSA-N 1 0 382.302 1.564 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420132982 532004490 /nfs/dbraw/zinc/00/44/90/532004490.db2.gz BRXRBAJPOKYPQH-UHFFFAOYSA-N 1 0 380.286 1.834 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000420112728 532002926 /nfs/dbraw/zinc/00/29/26/532002926.db2.gz DOFCXWPXCCGYRQ-GFCCVEGCSA-N 1 0 380.286 1.789 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420142961 532006483 /nfs/dbraw/zinc/00/64/83/532006483.db2.gz WFMPITPDONUQES-UHFFFAOYSA-N 1 0 396.285 1.452 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000420220977 532009160 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COC(=O)c1cc(F)cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1F ZINC000599229015 532016588 /nfs/dbraw/zinc/01/65/88/532016588.db2.gz LPHZCUCQVDCWDM-UHFFFAOYSA-N 1 0 376.425 1.762 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1OC ZINC000420455688 532016783 /nfs/dbraw/zinc/01/67/83/532016783.db2.gz GJRDUNAHZJJDRW-CYBMUJFWSA-N 1 0 390.889 1.802 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)C1 ZINC000599228340 532016791 /nfs/dbraw/zinc/01/67/91/532016791.db2.gz AEHIATCKYIEGQI-NSHDSACASA-N 1 0 376.425 1.762 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c(Br)c1 ZINC000420454680 532016914 /nfs/dbraw/zinc/01/69/14/532016914.db2.gz WNXVMTOEKZMHAQ-NSHDSACASA-N 1 0 391.287 1.656 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCOCCS(C)(=O)=O ZINC000271471343 532019225 /nfs/dbraw/zinc/01/92/25/532019225.db2.gz IYIKLOHPBJSSMF-CQSZACIVSA-N 1 0 390.933 1.728 20 0 GDADRO CCC1(CC)[C@H](NS(=O)(=O)CCCN2CC[NH+](C)CC2)[C@@H](C)[C@@H]1OC ZINC000632173302 532017804 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375.535 1.142 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(Br)n1 ZINC000271708385 532044251 /nfs/dbraw/zinc/04/42/51/532044251.db2.gz XJJVISFNCCHFRQ-TVQRCGJNSA-N 1 0 381.274 1.690 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1F ZINC000600669505 532049625 /nfs/dbraw/zinc/04/96/25/532049625.db2.gz PQWJDBDBHSOYFA-YABSGUDNSA-N 1 0 376.837 1.446 20 0 GDADRO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000372841787 532048301 /nfs/dbraw/zinc/04/83/01/532048301.db2.gz NQIWEYJOAWJJHX-CYBMUJFWSA-N 1 0 387.889 1.063 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000285228360 532050972 /nfs/dbraw/zinc/05/09/72/532050972.db2.gz PECMVYNBMWODBR-NEPJUHHUSA-N 1 0 395.301 1.622 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(Br)cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372860250 532050383 /nfs/dbraw/zinc/05/03/83/532050383.db2.gz ULJRFUFGNODLNG-CJNGLKHVSA-N 1 0 381.318 1.942 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000578442131 532050500 /nfs/dbraw/zinc/05/05/00/532050500.db2.gz ZJBAKKRWZLOQQS-LBPRGKRZSA-N 1 0 386.265 1.444 20 0 GDADRO O=C(C(=O)N1CCc2c1cccc2Br)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000421206810 532051967 /nfs/dbraw/zinc/05/19/67/532051967.db2.gz WAOARJPBIRINKI-CYBMUJFWSA-N 1 0 390.281 1.811 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000372940171 532054620 /nfs/dbraw/zinc/05/46/20/532054620.db2.gz XKZYHJNFWCLUEF-INIZCTEOSA-N 1 0 382.302 1.806 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)[NH+]1CCCC1 ZINC000578719049 532054782 /nfs/dbraw/zinc/05/47/82/532054782.db2.gz FOMLHGKTQOPTDJ-SNVBAGLBSA-N 1 0 390.303 1.311 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)c(C)s1 ZINC000634709128 532055675 /nfs/dbraw/zinc/05/56/75/532055675.db2.gz DRZRFIFKFBJKDA-ZBFHGGJFSA-N 1 0 376.544 1.145 20 0 GDADRO C[C@](O)(C[C@@H](O)C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C1CC1 ZINC000634712754 532055727 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CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423091796 532071261 /nfs/dbraw/zinc/07/12/61/532071261.db2.gz YVRPRMCRRZHNGK-CQSZACIVSA-N 1 0 398.301 1.991 20 0 GDADRO C[C@@H]1C[C@@H](N(C)C(=O)c2nn(C)cc2I)CC[N@@H+]1C ZINC000602268799 532073653 /nfs/dbraw/zinc/07/36/53/532073653.db2.gz OMOOFEARNGZVHE-ZJUUUORDSA-N 1 0 376.242 1.579 20 0 GDADRO COC(=O)[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423111546 532072585 /nfs/dbraw/zinc/07/25/85/532072585.db2.gz WGNHBOXWIFSQNJ-HNNXBMFYSA-N 1 0 385.258 1.548 20 0 GDADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580725663 532075079 /nfs/dbraw/zinc/07/50/79/532075079.db2.gz SUKXAXMJIMCBAL-JSGCOSHPSA-N 1 0 396.285 1.620 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423224006 532074085 /nfs/dbraw/zinc/07/40/85/532074085.db2.gz BFYMSZMRPFWIKD-CYBMUJFWSA-N 1 0 386.265 1.757 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000423204136 532074259 /nfs/dbraw/zinc/07/42/59/532074259.db2.gz NRIJOUBQLQPHFH-HUUCEWRRSA-N 1 0 396.285 1.169 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCOc3cccc(Cl)c3Cl)C[C@@H]12 ZINC000581240892 532077667 /nfs/dbraw/zinc/07/76/67/532077667.db2.gz IDEMMXUKZIERIN-NQBHXWOUSA-N 1 0 386.279 1.684 20 0 GDADRO O=C(NC[C@H]1CCCN(Cc2ncc(Br)s2)C1)[C@H]1CCC[NH2+]1 ZINC000469865776 532078659 /nfs/dbraw/zinc/07/86/59/532078659.db2.gz ZGQQFLJCVTWLLP-VXGBXAGGSA-N 1 0 387.347 1.986 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)C1 ZINC000423465759 532075747 /nfs/dbraw/zinc/07/57/47/532075747.db2.gz COGFFMRNXXWCSY-NEPJUHHUSA-N 1 0 380.286 1.715 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)c(F)c2)C[C@@H](C)[NH2+]1 ZINC000423507488 532076330 /nfs/dbraw/zinc/07/63/30/532076330.db2.gz MXSVTODJEJAPAR-GHMZBOCLSA-N 1 0 386.265 1.755 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000423509872 532076856 /nfs/dbraw/zinc/07/68/56/532076856.db2.gz OTYBNHBZOUTUIZ-UHFFFAOYSA-N 1 0 382.302 1.777 20 0 GDADRO COc1cc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)ccc1Br ZINC000602442978 532077297 /nfs/dbraw/zinc/07/72/97/532077297.db2.gz DSQDHDGQAKDOTI-NRFANRHFSA-N 1 0 375.288 1.897 20 0 GDADRO COC(=O)[C@]1(NC(=O)[C@H]2CCC[NH2+]2)CCc2cc(Br)ccc2C1 ZINC000602542907 532080280 /nfs/dbraw/zinc/08/02/80/532080280.db2.gz ATFWRJQEWYWPKC-PBHICJAKSA-N 1 0 381.270 1.718 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)c1cc(C)ccc1I ZINC000602543939 532080315 /nfs/dbraw/zinc/08/03/15/532080315.db2.gz CSNLHEBKYJYCBO-UHFFFAOYSA-N 1 0 376.238 1.908 20 0 GDADRO C[S@@](=O)C1(C(=O)NCCN2CCc3c(Cl)cccc3C2)CC[NH2+]CC1 ZINC000602503211 532079022 /nfs/dbraw/zinc/07/90/22/532079022.db2.gz OUNSZFIBHQSSQP-RUZDIDTESA-N 1 0 383.945 1.315 20 0 GDADRO COC(=O)[C@@]1(NC(=O)C[C@H]2CC[NH2+]C2)CCc2cc(Br)ccc2C1 ZINC000602543964 532080004 /nfs/dbraw/zinc/08/00/04/532080004.db2.gz NOWLJGBEJUYSGC-KZULUSFZSA-N 1 0 395.297 1.965 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423733489 532081045 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532093076 /nfs/dbraw/zinc/09/30/76/532093076.db2.gz CRNVVJWRWZZCCX-ZNMIVQPWSA-N 1 0 375.535 1.693 20 0 GDADRO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 ZINC000424429140 532094044 /nfs/dbraw/zinc/09/40/44/532094044.db2.gz WEHMGWLTBWFMQK-LBPRGKRZSA-N 1 0 382.408 1.398 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000373726610 532094127 /nfs/dbraw/zinc/09/41/27/532094127.db2.gz GWXFVMRPYXTBCQ-HNNXBMFYSA-N 1 0 382.917 1.916 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)CCn2cc(Br)cn2)CC1 ZINC000603896784 532096911 /nfs/dbraw/zinc/09/69/11/532096911.db2.gz LBZNEPOSGVFOFU-UHFFFAOYSA-N 1 0 386.338 1.426 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000285591367 532097088 /nfs/dbraw/zinc/09/70/88/532097088.db2.gz HVPGJTQCQSQHHC-UKRRQHHQSA-N 1 0 380.432 1.702 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C[C@@H]1[NH+](C)C ZINC000329180870 532097812 /nfs/dbraw/zinc/09/78/12/532097812.db2.gz NEUHDDGYSZUNLE-RYUDHWBXSA-N 1 0 389.934 1.357 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000285767835 532111694 /nfs/dbraw/zinc/11/16/94/532111694.db2.gz RVCZJXIDIXHGEW-AWEZNQCLSA-N 1 0 398.301 1.627 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)[C@H](N2CCOCC2)C1 ZINC000329783142 532109211 /nfs/dbraw/zinc/10/92/11/532109211.db2.gz UWHYOYSXUUWCPG-PFSRBDOWSA-N 1 0 384.464 1.443 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C1=CC[N@H+](C)CC1 ZINC000272666369 532109776 /nfs/dbraw/zinc/10/97/76/532109776.db2.gz HVJWFYNQOWRTOC-ZFWWWQNUSA-N 1 0 383.539 1.668 20 0 GDADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000374084262 532110813 /nfs/dbraw/zinc/11/08/13/532110813.db2.gz PAEKHFOTSKIEPO-GWCFXTLKSA-N 1 0 387.299 1.757 20 0 GDADRO CS[C@@H]1CN(C(=O)c2sc(S(N)(=O)=O)cc2C)C[C@@H]1[NH+]1CCCC1 ZINC000330186411 532117225 /nfs/dbraw/zinc/11/72/25/532117225.db2.gz SBDKIOYFHHCGIX-NWDGAFQWSA-N 1 0 389.568 1.356 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1CCC(=O)N1 ZINC000425095762 532118289 /nfs/dbraw/zinc/11/82/89/532118289.db2.gz BWYVOLWRALSYFW-GFCCVEGCSA-N 1 0 383.290 1.664 20 0 GDADRO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCCC[C@@H]2CC[NH3+])c1 ZINC000285899987 532119791 /nfs/dbraw/zinc/11/97/91/532119791.db2.gz CWEXMEBAAMITTE-SNVBAGLBSA-N 1 0 390.303 1.440 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2sccc2Br)C[N@@H+]1C1CC1 ZINC000285907004 532120079 /nfs/dbraw/zinc/12/00/79/532120079.db2.gz NGWROPFKJGFSAX-UWVGGRQHSA-N 1 0 386.315 1.868 20 0 GDADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)cc1C(=O)OC ZINC000272884585 532120695 /nfs/dbraw/zinc/12/06/95/532120695.db2.gz NYGDSZKHKXMIEC-UHFFFAOYSA-N 1 0 386.246 1.242 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000285981433 532124309 /nfs/dbraw/zinc/12/43/09/532124309.db2.gz MVZKCIXYVFQVAD-UHFFFAOYSA-N 1 0 384.318 1.863 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1sccc1Br)C1=CC[N@H+](C)CC1 ZINC000285821963 532114913 /nfs/dbraw/zinc/11/49/13/532114913.db2.gz ICWIWLNUDNXHBA-SNVBAGLBSA-N 1 0 386.315 1.893 20 0 GDADRO COc1cc2[nH+]ccc(NCCN3C(=O)CCC3=O)c2cc1Br ZINC000425220561 532130043 /nfs/dbraw/zinc/13/00/43/532130043.db2.gz CLIZMLIXJTUWEH-UHFFFAOYSA-N 1 0 378.226 1.989 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000286076782 532131201 /nfs/dbraw/zinc/13/12/01/532131201.db2.gz TVNFDHZMMWHWKE-JTQLQIEISA-N 1 0 380.436 1.667 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000425234764 532131574 /nfs/dbraw/zinc/13/15/74/532131574.db2.gz HTIDJDFSQCOPEK-ZDUSSCGKSA-N 1 0 387.933 1.807 20 0 GDADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000273157454 532137470 /nfs/dbraw/zinc/13/74/70/532137470.db2.gz YNLMIXQNLPAEOR-CQSZACIVSA-N 1 0 396.285 1.937 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c(Br)c1 ZINC000286449400 532151385 /nfs/dbraw/zinc/15/13/85/532151385.db2.gz JSOUGINTZGNMOG-LLVKDONJSA-N 1 0 377.304 1.829 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000331894828 532155119 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GDADRO COC(=O)CCCc1nnc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)s1 ZINC000273725443 532166684 /nfs/dbraw/zinc/16/66/84/532166684.db2.gz PYHKQEJJSZSTLO-MNOVXSKESA-N 1 0 387.531 1.543 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000332161217 532167760 /nfs/dbraw/zinc/16/77/60/532167760.db2.gz SQRVEPQVWIGYCI-ZDUSSCGKSA-N 1 0 380.286 1.715 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000426455036 532169102 /nfs/dbraw/zinc/16/91/02/532169102.db2.gz SGAYYJZGYHNNKS-PBHICJAKSA-N 1 0 397.317 1.394 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)ccc1Br ZINC000286695212 532169740 /nfs/dbraw/zinc/16/97/40/532169740.db2.gz LYPAGZNORAMCBW-VIFPVBQESA-N 1 0 379.276 1.464 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000286511622 532156188 /nfs/dbraw/zinc/15/61/88/532156188.db2.gz OITSEOJDLWHSBJ-BXUZGUMPSA-N 1 0 398.301 1.845 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000331935430 532157142 /nfs/dbraw/zinc/15/71/42/532157142.db2.gz OWKMFTHSNNXYQS-WFASDCNBSA-N 1 0 380.286 1.933 20 0 GDADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000375276808 532157150 /nfs/dbraw/zinc/15/71/50/532157150.db2.gz HUFDCLYMDLAYBR-GFCCVEGCSA-N 1 0 381.274 1.869 20 0 GDADRO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)s1 ZINC000426143123 532162567 /nfs/dbraw/zinc/16/25/67/532162567.db2.gz YBMMLYYUWWPEMR-NSHDSACASA-N 1 0 377.432 1.927 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332309623 532179127 /nfs/dbraw/zinc/17/91/27/532179127.db2.gz MPAYPHIWPSJGTP-GHMZBOCLSA-N 1 0 384.249 1.903 20 0 GDADRO O=C(Nc1ccc(I)cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332317221 532179453 /nfs/dbraw/zinc/17/94/53/532179453.db2.gz NTMCBJYVVMJXGD-WDEREUQCSA-N 1 0 399.232 1.298 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000332331852 532180292 /nfs/dbraw/zinc/18/02/92/532180292.db2.gz SWXPSNZUTRPXMX-CYBMUJFWSA-N 1 0 398.305 1.020 20 0 GDADRO [NH3+]Cc1ccc(NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000427282946 532180340 /nfs/dbraw/zinc/18/03/40/532180340.db2.gz VGWGDHDBCNXWHW-UHFFFAOYSA-N 1 0 381.479 1.480 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N(C)CCC[N@H+](C)Cc2ccco2)s1 ZINC000286835243 532180408 /nfs/dbraw/zinc/18/04/08/532180408.db2.gz WIEIYXRSFLMQAK-UHFFFAOYSA-N 1 0 386.499 1.837 20 0 GDADRO O=C(Nc1cccc(I)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332372993 532182976 /nfs/dbraw/zinc/18/29/76/532182976.db2.gz ZFWZCNDVNFZAPH-GHMZBOCLSA-N 1 0 399.232 1.298 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000332223640 532171731 /nfs/dbraw/zinc/17/17/31/532171731.db2.gz KABYJVGSIQSFIW-UHFFFAOYSA-N 1 0 397.277 1.070 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000426974574 532173396 /nfs/dbraw/zinc/17/33/96/532173396.db2.gz XJTILMKJSRLXJF-UHFFFAOYSA-N 1 0 394.269 1.889 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427047221 532174503 /nfs/dbraw/zinc/17/45/03/532174503.db2.gz SSDAQVVDNRSJMY-DZGCQCFKSA-N 1 0 383.286 1.932 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332254627 532174961 /nfs/dbraw/zinc/17/49/61/532174961.db2.gz CMMQFKRUFOEGBD-BDAKNGLRSA-N 1 0 388.212 1.734 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375975687 532191375 /nfs/dbraw/zinc/19/13/75/532191375.db2.gz RSANXTQDZNVMFL-ZDUSSCGKSA-N 1 0 399.925 1.683 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000375984201 532191832 /nfs/dbraw/zinc/19/18/32/532191832.db2.gz KYYPEIVFBAIZFQ-HNNXBMFYSA-N 1 0 385.555 1.607 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000332522308 532192772 /nfs/dbraw/zinc/19/27/72/532192772.db2.gz ZRAPIPFGLYCKDB-SWLSCSKDSA-N 1 0 394.313 1.899 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000287067435 532193284 /nfs/dbraw/zinc/19/32/84/532193284.db2.gz NOEITTPJTVCKPE-KGLIPLIRSA-N 1 0 386.543 1.295 20 0 GDADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000427933833 532194234 /nfs/dbraw/zinc/19/42/34/532194234.db2.gz RYVQDFZHBZLMHB-NSHDSACASA-N 1 0 381.420 1.775 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1F ZINC000427934682 532194332 /nfs/dbraw/zinc/19/43/32/532194332.db2.gz VNLMMPYGAXCESE-LBPRGKRZSA-N 1 0 395.522 1.772 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332550521 532194448 /nfs/dbraw/zinc/19/44/48/532194448.db2.gz JLHNVNFRNOTBGL-BDAKNGLRSA-N 1 0 388.212 1.734 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC[C@@H]1[NH3+] ZINC000332562349 532195079 /nfs/dbraw/zinc/19/50/79/532195079.db2.gz VSRPXJAKCUUWLS-RISCZKNCSA-N 1 0 398.305 1.882 20 0 GDADRO O=C(CNC(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1Br ZINC000428056324 532196655 /nfs/dbraw/zinc/19/66/55/532196655.db2.gz UINRJZYMZMLMPF-OCCSQVGLSA-N 1 0 395.301 1.188 20 0 GDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000332623549 532200616 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1.278 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CC[C@@H]1[NH3+] ZINC000332703798 532206602 /nfs/dbraw/zinc/20/66/02/532206602.db2.gz XLILQYCBCQHYBA-XPKDYRNWSA-N 1 0 394.313 1.961 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000274387132 532207607 /nfs/dbraw/zinc/20/76/07/532207607.db2.gz BHTWHIGHEMMKFF-UHFFFAOYSA-N 1 0 386.290 1.435 20 0 GDADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000376344286 532207869 /nfs/dbraw/zinc/20/78/69/532207869.db2.gz PNTNIVISTNLNDL-YOEHRIQHSA-N 1 0 386.539 1.479 20 0 GDADRO C[N@H+](CCNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000376365291 532210267 /nfs/dbraw/zinc/21/02/67/532210267.db2.gz GDCHFMBGPGAJCL-CYBMUJFWSA-N 1 0 386.543 1.152 20 0 GDADRO CCn1cc(Br)cc1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428600190 532212635 /nfs/dbraw/zinc/21/26/35/532212635.db2.gz PCCPDQARQQKMRD-CYBMUJFWSA-N 1 0 397.317 1.555 20 0 GDADRO O=C1[C@H]([N@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)CCN1c1cccc(Br)c1 ZINC000333001552 532214923 /nfs/dbraw/zinc/21/49/23/532214923.db2.gz IWEUMHORTADHDY-QLFBSQMISA-N 1 0 378.270 1.907 20 0 GDADRO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000287457737 532216418 /nfs/dbraw/zinc/21/64/18/532216418.db2.gz VPSCNLYJQOLXHQ-JTQLQIEISA-N 1 0 395.319 1.535 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1nnnn1CC(F)(F)F ZINC000333068437 532217864 /nfs/dbraw/zinc/21/78/64/532217864.db2.gz OJRKUYIULQTXNV-MNOVXSKESA-N 1 0 378.424 1.413 20 0 GDADRO CCOC(=O)[C@](C)(O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000274561558 532218141 /nfs/dbraw/zinc/21/81/41/532218141.db2.gz BXOFYPHJNMXUAJ-OAHLLOKOSA-N 1 0 375.263 1.905 20 0 GDADRO CCc1nnsc1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274298937 532201490 /nfs/dbraw/zinc/20/14/90/532201490.db2.gz RXSUCGOHYFPSDZ-UHFFFAOYSA-N 1 0 383.499 1.193 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000332642194 532202816 /nfs/dbraw/zinc/20/28/16/532202816.db2.gz XGAJVAZOAUNYDG-LLVKDONJSA-N 1 0 398.276 1.683 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(C)(C)C[NH+](C)C ZINC000332653494 532203135 /nfs/dbraw/zinc/20/31/35/532203135.db2.gz MWDUZHQPZCSWKX-UONOGXRCSA-N 1 0 387.571 1.994 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000332645693 532203278 /nfs/dbraw/zinc/20/32/78/532203278.db2.gz WYQVFPHCYMDGGE-HNNXBMFYSA-N 1 0 380.286 1.544 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)cc1F ZINC000429331697 532227903 /nfs/dbraw/zinc/22/79/03/532227903.db2.gz OKTMEYDVBHPKDJ-GJZGRUSLSA-N 1 0 393.506 1.348 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)s1 ZINC000333344417 532229723 /nfs/dbraw/zinc/22/97/23/532229723.db2.gz UHFFTRDLQQEXLC-KFWWJZLASA-N 1 0 383.539 1.278 20 0 GDADRO Cc1csc([C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C(F)(F)F)n1 ZINC000333324878 532229809 /nfs/dbraw/zinc/22/98/09/532229809.db2.gz NLIAAEYZAHQQQA-RYUDHWBXSA-N 1 0 377.436 1.744 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)CCCO1 ZINC000333347209 532231394 /nfs/dbraw/zinc/23/13/94/532231394.db2.gz QUYNZZIUXFSVKV-JTQLQIEISA-N 1 0 380.246 1.974 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CC[NH2+]C3(C)C)C2)s1 ZINC000333381770 532232030 /nfs/dbraw/zinc/23/20/30/532232030.db2.gz BHYAJGNXYIWHTO-UONOGXRCSA-N 1 0 385.555 1.714 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ncsc3C(F)(F)F)CC2)C1=O ZINC000333377703 532232034 /nfs/dbraw/zinc/23/20/34/532232034.db2.gz AYVVWBWHPTYKOJ-JTQLQIEISA-N 1 0 376.404 1.587 20 0 GDADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1Cl ZINC000429727312 532232750 /nfs/dbraw/zinc/23/27/50/532232750.db2.gz WOLOPFNSPXWWEZ-APHBMKBZSA-N 1 0 387.933 1.967 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000287676688 532233197 /nfs/dbraw/zinc/23/31/97/532233197.db2.gz LBEIGRZMBPTLIX-UHFFFAOYSA-N 1 0 378.420 1.578 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)Cc2cc[nH]c(=O)c2Br)CC1(C)C ZINC000333431791 532234787 /nfs/dbraw/zinc/23/47/87/532234787.db2.gz HSEYXVARNCOUDE-UHFFFAOYSA-N 1 0 385.306 1.234 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccsc1Br ZINC000287549633 532222738 /nfs/dbraw/zinc/22/27/38/532222738.db2.gz KIRXSGZPKICBHH-JOYOIKCWSA-N 1 0 386.315 1.726 20 0 GDADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)cc(I)c1 ZINC000287571821 532224589 /nfs/dbraw/zinc/22/45/89/532224589.db2.gz KBZRSXXUBQEGDS-UHFFFAOYSA-N 1 0 389.237 1.606 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000376694986 532225350 /nfs/dbraw/zinc/22/53/50/532225350.db2.gz LUTMPSCZKPLNCZ-HUUCEWRRSA-N 1 0 385.555 1.797 20 0 GDADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376721103 532226420 /nfs/dbraw/zinc/22/64/20/532226420.db2.gz BUKRKBDBEFGEMV-AWEZNQCLSA-N 1 0 377.432 1.460 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC[NH2+]1 ZINC000333250825 532226734 /nfs/dbraw/zinc/22/67/34/532226734.db2.gz CKTAUIVZVZSYJU-NSHDSACASA-N 1 0 384.278 1.506 20 0 GDADRO C[C@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1nc(C(F)(F)F)cs1 ZINC000333676215 532243815 /nfs/dbraw/zinc/24/38/15/532243815.db2.gz YZDGTJHTYUPXMT-WDEREUQCSA-N 1 0 377.436 1.912 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000287830303 532244079 /nfs/dbraw/zinc/24/40/79/532244079.db2.gz MYZYGXDFXCUGDD-GDBMZVCRSA-N 1 0 385.306 1.907 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000333700792 532245496 /nfs/dbraw/zinc/24/54/96/532245496.db2.gz DJCMYJGJLCISTR-ZIAGYGMSSA-N 1 0 386.543 1.295 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000333745898 532248291 /nfs/dbraw/zinc/24/82/91/532248291.db2.gz YHQNPCMKVPRXGX-FZMZJTMJSA-N 1 0 381.274 1.384 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000333767777 532249463 /nfs/dbraw/zinc/24/94/63/532249463.db2.gz BNFIGPRJSSWADQ-HBYGRHMLSA-N 1 0 383.279 1.679 20 0 GDADRO COCC[C@]1(C(=O)N2CCC(n3cc(Br)cn3)CC2)CC[NH2+]C1 ZINC000430524025 532250676 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O=C(CNC(=O)c1cccc(Br)c1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000288652169 532301542 /nfs/dbraw/zinc/30/15/42/532301542.db2.gz YEFXZOCQEJLRGD-HNNXBMFYSA-N 1 0 398.301 1.142 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000288665697 532302447 /nfs/dbraw/zinc/30/24/47/532302447.db2.gz UKJKCCBNKAKSAF-TZMCWYRMSA-N 1 0 397.317 1.964 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000288688305 532303523 /nfs/dbraw/zinc/30/35/23/532303523.db2.gz DAYHMSUGFNCVJF-UHFFFAOYSA-N 1 0 399.333 1.730 20 0 GDADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000275768499 532309584 /nfs/dbraw/zinc/30/95/84/532309584.db2.gz LMWNMRNRPLYVPQ-ZIAGYGMSSA-N 1 0 389.543 1.040 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC2([NH+](C)C)CCC2)s1 ZINC000275857600 532312826 /nfs/dbraw/zinc/31/28/26/532312826.db2.gz IRZVEKLARQZJTH-AWEZNQCLSA-N 1 0 385.555 1.810 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000275907270 532314059 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GDADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000289636980 532330063 /nfs/dbraw/zinc/33/00/63/532330063.db2.gz PSUDNCPFBYYSCZ-CVEARBPZSA-N 1 0 385.917 1.561 20 0 GDADRO COC(=O)c1cn(CC[NH2+]Cc2cn3ccc(Br)cc3n2)nn1 ZINC000289807374 532332556 /nfs/dbraw/zinc/33/25/56/532332556.db2.gz LJVMWHDVCYROCX-UHFFFAOYSA-N 1 0 379.218 1.265 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000290027777 532335479 /nfs/dbraw/zinc/33/54/79/532335479.db2.gz FTSSDYPFEOPEKQ-VXGBXAGGSA-N 1 0 387.299 1.534 20 0 GDADRO COCCN1C(=O)C[C@@H](C[NH2+]Cc2scnc2C)[C@@H]1c1cnn(C)c1C ZINC000275258367 570688994 /nfs/dbraw/zinc/68/89/94/570688994.db2.gz HPWPYSLDBUAFCB-KBXCAEBGSA-N 1 0 377.514 1.819 20 0 GDADRO O=C(Cc1cccc(Cl)c1)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000333303295 570786518 /nfs/dbraw/zinc/78/65/18/570786518.db2.gz QKDSGCFIXBIHLM-IRXDYDNUSA-N 1 0 376.888 1.629 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCc1nc3c(s1)CCCC3)C2 ZINC000738448708 598837916 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GDADRO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000735683597 598959095 /nfs/dbraw/zinc/95/90/95/598959095.db2.gz ASRXPGWWYFUUST-QGZVFWFLSA-N 1 0 397.483 1.209 20 0 GDADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738433370 598964281 /nfs/dbraw/zinc/96/42/81/598964281.db2.gz RICALPMTIGTJSZ-UHFFFAOYSA-N 1 0 394.483 1.749 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736769367 598973208 /nfs/dbraw/zinc/97/32/08/598973208.db2.gz QBALJEFENMHXMI-UHFFFAOYSA-N 1 0 391.451 1.258 20 0 GDADRO CC[C@H]1CN(CCOc2ccc(-c3nn[nH]n3)cc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000736406518 598985137 /nfs/dbraw/zinc/98/51/37/598985137.db2.gz ALDAACVDMPNPBZ-ZBFHGGJFSA-N 1 0 390.488 1.031 20 0 GDADRO C[NH+](C)Cc1cc(CNC(=O)COc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000736771747 599033212 /nfs/dbraw/zinc/03/32/12/599033212.db2.gz PUMGPLFTLCRPJX-UHFFFAOYSA-N 1 0 384.415 1.763 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)C1 ZINC000736859449 599080360 /nfs/dbraw/zinc/08/03/60/599080360.db2.gz ZXZIKHPTYXAXEA-KRWDZBQOSA-N 1 0 380.500 1.331 20 0 GDADRO C[C@H](C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000736026598 599088155 /nfs/dbraw/zinc/08/81/55/599088155.db2.gz VBYJMRVVBAHKKD-KUHUBIRLSA-N 1 0 391.479 1.430 20 0 GDADRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCO2 ZINC000735671032 599094736 /nfs/dbraw/zinc/09/47/36/599094736.db2.gz ZVAYDALAFZWMKZ-KRWDZBQOSA-N 1 0 394.435 1.689 20 0 GDADRO Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000737245207 599204417 /nfs/dbraw/zinc/20/44/17/599204417.db2.gz LFKOCFSIVRMXOK-QGZVFWFLSA-N 1 0 379.468 1.734 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cccc1-c1nn[nH]n1 ZINC000822053014 607272241 /nfs/dbraw/zinc/27/22/41/607272241.db2.gz JETYKQVBFUOGEE-CHWSQXEVSA-N 1 0 385.472 1.493 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)C1 ZINC000821087571 607277391 /nfs/dbraw/zinc/27/73/91/607277391.db2.gz CZZCPIPVCAQDFY-CQSZACIVSA-N 1 0 385.472 1.304 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2C)CC1 ZINC000821267670 599268885 /nfs/dbraw/zinc/26/88/85/599268885.db2.gz PCPKQAWRBGZBCB-CQSZACIVSA-N 1 0 386.504 1.570 20 0 GDADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)cc1 ZINC000736770099 599280077 /nfs/dbraw/zinc/28/00/77/599280077.db2.gz ZQRNSBIHQWDGHM-UHFFFAOYSA-N 1 0 395.423 1.275 20 0 GDADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736769392 599280745 /nfs/dbraw/zinc/28/07/45/599280745.db2.gz REWJMSBFXWXRHB-UHFFFAOYSA-N 1 0 395.423 1.275 20 0 GDADRO CCn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736731935 599289061 /nfs/dbraw/zinc/28/90/61/599289061.db2.gz TVFOAFKGXNCBEW-DLBZAZTESA-N 1 0 392.467 1.856 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)C[NH+]1CCCCC1 ZINC000820262822 607335637 /nfs/dbraw/zinc/33/56/37/607335637.db2.gz ZULJODYBJBXNLF-LBPRGKRZSA-N 1 0 389.435 1.183 20 0 GDADRO C[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736267521 598234808 /nfs/dbraw/zinc/23/48/08/598234808.db2.gz SQUOAOMDNSQEPN-YJYMSZOUSA-N 1 0 383.456 1.713 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)C=Cc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737158642 598240398 /nfs/dbraw/zinc/24/03/98/598240398.db2.gz FGHSZENNDVDGFK-SREVYHEPSA-N 1 0 391.435 1.632 20 0 GDADRO O=C1[C@@H](N2CCC([NH+]3CCCCC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290213 598250669 /nfs/dbraw/zinc/25/06/69/598250669.db2.gz NVFJNEHTYDPVIB-IBGZPJMESA-N 1 0 395.511 1.922 20 0 GDADRO CC(C)COC[C@@H](O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735838455 598261717 /nfs/dbraw/zinc/26/17/17/598261717.db2.gz QCDIKOGBXICCIF-INIZCTEOSA-N 1 0 375.473 1.743 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736479849 598269924 /nfs/dbraw/zinc/26/99/24/598269924.db2.gz JYJBTKAABFWZAF-UHFFFAOYSA-N 1 0 398.920 1.920 20 0 GDADRO c1cn(-c2ccccc2)nc1CC[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000738425104 598275667 /nfs/dbraw/zinc/27/56/67/598275667.db2.gz KLPKLCSXSJWYOK-UHFFFAOYSA-N 1 0 386.423 1.427 20 0 GDADRO C[C@@H](CC[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)NC(=O)OC(C)(C)C ZINC000735987043 598286074 /nfs/dbraw/zinc/28/60/74/598286074.db2.gz QRHFFIGVNRMYLL-NSHDSACASA-N 1 0 387.448 1.302 20 0 GDADRO C[C@@H](CNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)C[NH+]1CCCC1 ZINC000736017378 598293590 /nfs/dbraw/zinc/29/35/90/598293590.db2.gz MODHUJAJPVZXIY-INIZCTEOSA-N 1 0 398.515 1.430 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736457030 598300277 /nfs/dbraw/zinc/30/02/77/598300277.db2.gz KENDXRCSKFDFFY-CYBMUJFWSA-N 1 0 379.490 1.195 20 0 GDADRO CC[NH+]1CCN(CCNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736567586 598320164 /nfs/dbraw/zinc/32/01/64/598320164.db2.gz AYKINXWOCMOSAM-UHFFFAOYSA-N 1 0 394.936 1.444 20 0 GDADRO CC(C)[C@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000735750631 598333592 /nfs/dbraw/zinc/33/35/92/598333592.db2.gz QUBRPZBIOPNZGQ-MRXNPFEDSA-N 1 0 383.456 1.709 20 0 GDADRO C[C@H]([N@H+](C)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)C(C)(C)C ZINC000736100076 598334064 /nfs/dbraw/zinc/33/40/64/598334064.db2.gz XPWOIIJVYJPVRN-ZDUSSCGKSA-N 1 0 385.472 1.955 20 0 GDADRO Cc1nc(SCC(=O)N[C@@H]2CCC[N@@H+](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737482564 598341641 /nfs/dbraw/zinc/34/16/41/598341641.db2.gz IMISGXAZYVMESY-CYBMUJFWSA-N 1 0 375.502 1.489 20 0 GDADRO CC[C@H]1CN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000736412588 598345087 /nfs/dbraw/zinc/34/50/87/598345087.db2.gz WCGNFCQFMMUMFQ-YOEHRIQHSA-N 1 0 387.488 1.236 20 0 GDADRO CN(Cc1cc(-c2nn[nH]n2)ccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000736813562 598349922 /nfs/dbraw/zinc/34/99/22/598349922.db2.gz DBVBSNZCXFYWJW-UHFFFAOYSA-N 1 0 384.463 1.799 20 0 GDADRO CCOC(=O)CCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000736592752 598354037 /nfs/dbraw/zinc/35/40/37/598354037.db2.gz WCCWPAXIUFJHKX-UHFFFAOYSA-N 1 0 395.467 1.880 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736001513 598390038 /nfs/dbraw/zinc/39/00/38/598390038.db2.gz MMTPAYIYJKIOFB-CYBMUJFWSA-N 1 0 389.508 1.181 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736860447 598425849 /nfs/dbraw/zinc/42/58/49/598425849.db2.gz QDHWLYBFXHXZSK-QZEKMECESA-N 1 0 395.511 1.508 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1)C[NH+]1CCCC1 ZINC000736019084 598435736 /nfs/dbraw/zinc/43/57/36/598435736.db2.gz DHSKTOIQPBSEAC-ZDUSSCGKSA-N 1 0 395.471 1.096 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000737007594 598466293 /nfs/dbraw/zinc/46/62/93/598466293.db2.gz NULLSTQOFKGZRY-YOEHRIQHSA-N 1 0 388.472 1.107 20 0 GDADRO c1coc([C@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N2CCCC2)c1 ZINC000738447068 598518378 /nfs/dbraw/zinc/51/83/78/598518378.db2.gz BHOFRFNJFJEEPP-HIFRSBDPSA-N 1 0 383.460 1.125 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@H](c1ccccc1)c1ccccn1)C2 ZINC000738425842 598519760 /nfs/dbraw/zinc/51/97/60/598519760.db2.gz OISSAAOBVYIVDN-RDTXWAMCSA-N 1 0 387.451 1.879 20 0 GDADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737113251 598528205 /nfs/dbraw/zinc/52/82/05/598528205.db2.gz AMBHKPLMMRGPOJ-SJCJKPOMSA-N 1 0 380.456 1.781 20 0 GDADRO Fc1ccc(C2(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCC2)cc1 ZINC000737652660 598528371 /nfs/dbraw/zinc/52/83/71/598528371.db2.gz XFGRAJIPAQFZIG-ZDUSSCGKSA-N 1 0 382.447 1.956 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCCCOCc1ccccc1)C2 ZINC000738432181 598528532 /nfs/dbraw/zinc/52/85/32/598528532.db2.gz DGFJQXFLBQIYQT-MRXNPFEDSA-N 1 0 382.472 1.692 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736856657 598555739 /nfs/dbraw/zinc/55/57/39/598555739.db2.gz LIUKMLYBZDEOTD-AWEZNQCLSA-N 1 0 382.424 1.863 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000735999928 598594389 /nfs/dbraw/zinc/59/43/89/598594389.db2.gz DBMLZKZAYPVDLQ-CRAIPNDOSA-N 1 0 383.500 1.826 20 0 GDADRO CC1CC[NH+](CCNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736275838 598595001 /nfs/dbraw/zinc/59/50/01/598595001.db2.gz KAFPQOWRVXZFRF-GOSISDBHSA-N 1 0 383.500 1.684 20 0 GDADRO COCC[N@@H+]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737004457 598597097 /nfs/dbraw/zinc/59/70/97/598597097.db2.gz NEVNMUPGSAOSJM-GOSISDBHSA-N 1 0 399.499 1.016 20 0 GDADRO O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000737793550 598597723 /nfs/dbraw/zinc/59/77/23/598597723.db2.gz ZRYVVFYFPHVXME-ZWKOTPCHSA-N 1 0 381.484 1.532 20 0 GDADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000735550966 598618783 /nfs/dbraw/zinc/61/87/83/598618783.db2.gz NZBLRNPPXJPTRM-DGCLKSJQSA-N 1 0 377.880 1.873 20 0 GDADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736275170 598635628 /nfs/dbraw/zinc/63/56/28/598635628.db2.gz HSJVOALFLHXACP-UHFFFAOYSA-N 1 0 389.435 1.183 20 0 GDADRO CN(C(=O)COc1cccc(-c2nn[nH]n2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000736768228 598668016 /nfs/dbraw/zinc/66/80/16/598668016.db2.gz BDZHIHMDWPYKOB-UHFFFAOYSA-N 1 0 396.451 1.849 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737843711 598706698 /nfs/dbraw/zinc/70/66/98/598706698.db2.gz MSZDLYMKICZUSY-LBPRGKRZSA-N 1 0 389.485 1.344 20 0 GDADRO CC(C)c1ccccc1OCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735933069 598713698 /nfs/dbraw/zinc/71/36/98/598713698.db2.gz SLBILHXHXOXWRJ-AWEZNQCLSA-N 1 0 382.472 1.897 20 0 GDADRO C[NH+](C)C[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000736758994 598773063 /nfs/dbraw/zinc/77/30/63/598773063.db2.gz MCIOGQJQUMQTBK-NSHDSACASA-N 1 0 375.383 1.460 20 0 GDADRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736079103 598786405 /nfs/dbraw/zinc/78/64/05/598786405.db2.gz NARFDHBVOVXLSM-MNOVXSKESA-N 1 0 386.485 1.619 20 0 GDADRO CCc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cnn1C ZINC000736668420 598805217 /nfs/dbraw/zinc/80/52/17/598805217.db2.gz XIWAAISFBSLHFZ-UHFFFAOYSA-N 1 0 382.472 1.367 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)NCCCC[NH+](C)C)c1-c1nn[nH]n1 ZINC000737190202 598812513 /nfs/dbraw/zinc/81/25/13/598812513.db2.gz URIBCDWMTZRZDM-UHFFFAOYSA-N 1 0 375.502 1.933 20 0 GDADRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736523780 598818811 /nfs/dbraw/zinc/81/88/11/598818811.db2.gz RBBTZNZUVXUBBM-MRXNPFEDSA-N 1 0 385.472 1.528 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736568876 598819932 /nfs/dbraw/zinc/81/99/32/598819932.db2.gz DIFCMWCVCUYJNV-QGZVFWFLSA-N 1 0 387.463 1.529 20 0 GDADRO CC(=O)N1CCCN([C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C)CC1 ZINC000735467039 599298472 /nfs/dbraw/zinc/29/84/72/599298472.db2.gz YCPCABAPNMZBLI-HNAYVOBHSA-N 1 0 383.500 1.241 20 0 GDADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736412126 599300911 /nfs/dbraw/zinc/30/09/11/599300911.db2.gz SXCDKJYBWOEIFH-CSMYWGQOSA-N 1 0 397.483 1.020 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000736405659 599301250 /nfs/dbraw/zinc/30/12/50/599301250.db2.gz HEAXQQIMYWBJAI-WBVHZDCISA-N 1 0 392.529 1.795 20 0 GDADRO CC[NH+]1CCN(c2ccc(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000173179545 599320017 /nfs/dbraw/zinc/32/00/17/599320017.db2.gz YOIDBFIWJBNGRQ-UHFFFAOYSA-N 1 0 391.479 1.939 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000820753367 599346957 /nfs/dbraw/zinc/34/69/57/599346957.db2.gz YJXIHOBZVYCXPH-GXFFZTMASA-N 1 0 384.893 1.481 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000821254124 599347471 /nfs/dbraw/zinc/34/74/71/599347471.db2.gz JXVMTVVSVKXDOX-XHDPSFHLSA-N 1 0 382.465 1.357 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)[C@H](C)C1 ZINC000821254425 599347651 /nfs/dbraw/zinc/34/76/51/599347651.db2.gz LZRPTCPFYNVYSH-HIFRSBDPSA-N 1 0 378.502 1.526 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736765026 599359115 /nfs/dbraw/zinc/35/91/15/599359115.db2.gz SSMRGWYEIZWAQM-UHFFFAOYSA-N 1 0 379.852 1.163 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823600896 599361007 /nfs/dbraw/zinc/36/10/07/599361007.db2.gz LTNSAQHPQMPTAB-ZDUSSCGKSA-N 1 0 394.476 1.502 20 0 GDADRO COc1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc1-c1nn[nH]n1 ZINC000821810340 599393786 /nfs/dbraw/zinc/39/37/86/599393786.db2.gz YUABLRPXCKRKAB-UHFFFAOYSA-N 1 0 386.500 2.000 20 0 GDADRO Cn1c(CC[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)nc2ccccc21 ZINC000737593237 599445645 /nfs/dbraw/zinc/44/56/45/599445645.db2.gz RMKKYHCPZBTWJN-UHFFFAOYSA-N 1 0 389.467 1.513 20 0 GDADRO O[C@@H](CNc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)C[NH+]1CCCCC1 ZINC000823690337 599475646 /nfs/dbraw/zinc/47/56/46/599475646.db2.gz NKWHHRYQUMHLIF-LBPRGKRZSA-N 1 0 389.410 1.952 20 0 GDADRO NC(=O)c1ccc(C[NH+]2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000822885138 599479197 /nfs/dbraw/zinc/47/91/97/599479197.db2.gz IWHCUCMKJGNPHO-UHFFFAOYSA-N 1 0 381.415 1.427 20 0 GDADRO COc1cc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc(OC)c1OC ZINC000737046385 599482742 /nfs/dbraw/zinc/48/27/42/599482742.db2.gz CFTMGKMHSDXYBB-UHFFFAOYSA-N 1 0 395.423 1.830 20 0 GDADRO C[C@H](O)C[NH+]1CCC(CN(C)c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000820481526 599533052 /nfs/dbraw/zinc/53/30/52/599533052.db2.gz WZNNZKOKOYNJLL-AWEZNQCLSA-N 1 0 381.484 1.944 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[NH+]1CCC(C)CC1 ZINC000736988122 599548819 /nfs/dbraw/zinc/54/88/19/599548819.db2.gz OURKGPCRLCRYFB-UHFFFAOYSA-N 1 0 389.504 1.992 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738330468 599597783 /nfs/dbraw/zinc/59/77/83/599597783.db2.gz PAQITDGGXYXGCT-QGZVFWFLSA-N 1 0 390.513 1.647 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c1-c1nn[nH]n1 ZINC000822315054 599598478 /nfs/dbraw/zinc/59/84/78/599598478.db2.gz YILFDBMOJNGBDQ-UHFFFAOYSA-N 1 0 385.472 1.350 20 0 GDADRO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000821649983 599641756 /nfs/dbraw/zinc/64/17/56/599641756.db2.gz HSBIIXVQNMLURG-MAUKXSAKSA-N 1 0 384.484 1.889 20 0 GDADRO O=C1[C@H](N2CC[C@@H](C[NH+]3CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504476 599642055 /nfs/dbraw/zinc/64/20/55/599642055.db2.gz QPJUQQNEPGDAHS-QFBILLFUSA-N 1 0 395.511 1.780 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821161261 599644187 /nfs/dbraw/zinc/64/41/87/599644187.db2.gz XVFDGEGCPIGHAG-LBPRGKRZSA-N 1 0 377.880 1.732 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821182566 599644283 /nfs/dbraw/zinc/64/42/83/599644283.db2.gz WTMBPIPXCVXVNJ-CYBMUJFWSA-N 1 0 377.880 1.875 20 0 GDADRO CC(C)C[C@@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820068504 599645931 /nfs/dbraw/zinc/64/59/31/599645931.db2.gz RDIPUMPKZOVDJG-INIZCTEOSA-N 1 0 397.483 1.956 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(-n2cccn2)c1 ZINC000820419169 599647147 /nfs/dbraw/zinc/64/71/47/599647147.db2.gz FIUXXZIZSOOIPL-KBPBESRZSA-N 1 0 390.455 1.641 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821583330 599666717 /nfs/dbraw/zinc/66/67/17/599666717.db2.gz RFBRAMRDLFUQCZ-SFHVURJKSA-N 1 0 395.467 1.848 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820711449 599672567 /nfs/dbraw/zinc/67/25/67/599672567.db2.gz ZJOVCHFLIFVTOX-OLZOCXBDSA-N 1 0 375.452 1.925 20 0 GDADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1cccnc1 ZINC000819857646 599697183 /nfs/dbraw/zinc/69/71/83/599697183.db2.gz TWTOZNZSRLOSHN-OAHLLOKOSA-N 1 0 379.468 1.956 20 0 GDADRO CN1CCO[C@H](C[N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821628759 607449090 /nfs/dbraw/zinc/44/90/90/607449090.db2.gz PMYNOHRCTMIBFE-CYBMUJFWSA-N 1 0 393.879 1.111 20 0 GDADRO C[C@H]1COCCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825005590 607474916 /nfs/dbraw/zinc/47/49/16/607474916.db2.gz ABJFHYZQJWPZNF-NSHDSACASA-N 1 0 376.486 1.856 20 0 GDADRO C[NH+](C)C1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000825855841 607484155 /nfs/dbraw/zinc/48/41/55/607484155.db2.gz KKKDEGJRNYKWTB-UHFFFAOYSA-N 1 0 377.880 1.875 20 0 GDADRO O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cc2)CC1 ZINC000833249986 601043983 /nfs/dbraw/zinc/04/39/83/601043983.db2.gz ZZUZMSWCXMWOPW-IBGZPJMESA-N 1 0 399.495 1.371 20 0 GDADRO COc1ccc(C[N@H+](C)[C@@H]2CCCN(Cc3noc(C)n3)C2)cc1-c1nn[nH]n1 ZINC000826192674 607496709 /nfs/dbraw/zinc/49/67/09/607496709.db2.gz WPQPGCULWFZTJB-OAHLLOKOSA-N 1 0 398.471 1.663 20 0 GDADRO COc1ccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)cc1-c1nn[nH]n1 ZINC000826193091 607500864 /nfs/dbraw/zinc/50/08/64/607500864.db2.gz PINNMQGGEYMFEA-QGZVFWFLSA-N 1 0 383.452 1.885 20 0 GDADRO CC(C)c1nc(CN(C)[C@H]2CC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)no1 ZINC000824358247 607507236 /nfs/dbraw/zinc/50/72/36/607507236.db2.gz DOMAYUPCNGVTBA-AWEZNQCLSA-N 1 0 383.460 1.474 20 0 GDADRO CCC[N@H+](CCc1cn(CC(=O)OC)nn1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825313382 607516686 /nfs/dbraw/zinc/51/66/86/607516686.db2.gz DAVOQQNVCUWSNT-UHFFFAOYSA-N 1 0 384.444 1.086 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000826476122 607528107 /nfs/dbraw/zinc/52/81/07/607528107.db2.gz BEAUXAFKNDUUOB-GZBFAFLISA-N 1 0 388.497 1.782 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000826301520 607547848 /nfs/dbraw/zinc/54/78/48/607547848.db2.gz HIGLEUXOTOXICH-HNNXBMFYSA-N 1 0 390.513 1.814 20 0 GDADRO O=C(C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826410200 607556915 /nfs/dbraw/zinc/55/69/15/607556915.db2.gz GIIVBRQJNWMOCJ-NEPJUHHUSA-N 1 0 376.848 1.817 20 0 GDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000825854954 607557992 /nfs/dbraw/zinc/55/79/92/607557992.db2.gz FQMZNHGRXVENGK-UHFFFAOYSA-N 1 0 389.435 1.181 20 0 GDADRO COc1ccc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826199268 607568967 /nfs/dbraw/zinc/56/89/67/607568967.db2.gz UDFDTZVWGDPTQK-ZIAGYGMSSA-N 1 0 387.488 1.795 20 0 GDADRO COc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1-c1nn[nH]n1 ZINC000826199219 607568978 /nfs/dbraw/zinc/56/89/78/607568978.db2.gz SSIHTTJTBMYHNK-CQSZACIVSA-N 1 0 387.488 1.797 20 0 GDADRO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1-c1nn[nH]n1 ZINC000826200000 607571641 /nfs/dbraw/zinc/57/16/41/607571641.db2.gz UYIGDBNJIISYEZ-HNNXBMFYSA-N 1 0 387.488 1.795 20 0 GDADRO CC(C)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824158131 607584683 /nfs/dbraw/zinc/58/46/83/607584683.db2.gz RYDHETBRUAGOFU-UHFFFAOYSA-N 1 0 382.465 1.549 20 0 GDADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)c1 ZINC000825870404 607585312 /nfs/dbraw/zinc/58/53/12/607585312.db2.gz KUQUBGQDAIISSP-UHFFFAOYSA-N 1 0 390.444 1.546 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000825413084 607587087 /nfs/dbraw/zinc/58/70/87/607587087.db2.gz XOEDVJDFGIPULT-UHFFFAOYSA-N 1 0 398.508 1.994 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000824875140 607590182 /nfs/dbraw/zinc/59/01/82/607590182.db2.gz IOURNQMDFARBFN-CHWSQXEVSA-N 1 0 396.492 1.652 20 0 GDADRO Cc1cccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826303230 607590886 /nfs/dbraw/zinc/59/08/86/607590886.db2.gz GEVHQLVULIBZQI-ZIAGYGMSSA-N 1 0 392.529 1.821 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000825849405 607615068 /nfs/dbraw/zinc/61/50/68/607615068.db2.gz LEVPQNWDEJVCHV-FGTMMUONSA-N 1 0 384.484 1.509 20 0 GDADRO O=S(=O)(c1cccc(Cl)c1-c1nn[nH]n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000826495711 607640708 /nfs/dbraw/zinc/64/07/08/607640708.db2.gz YPSUNMXKVPQGGW-LBPRGKRZSA-N 1 0 396.904 1.627 20 0 GDADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000824975103 607653513 /nfs/dbraw/zinc/65/35/13/607653513.db2.gz JDHSQNITUGHMHV-CMPLNLGQSA-N 1 0 384.893 1.527 20 0 GDADRO C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCN(C(=O)[O-])C1 ZINC000825662740 603903641 /nfs/dbraw/zinc/90/36/41/603903641.db2.gz HIJJGFXVPCWBDS-LJQANCHMSA-N 1 0 375.473 1.100 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000529309008 649939705 /nfs/dbraw/zinc/93/97/05/649939705.db2.gz XJRVQOXYLIOFHI-STQMWFEESA-N 1 0 383.290 1.315 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000824892354 607668948 /nfs/dbraw/zinc/66/89/48/607668948.db2.gz HEDZNOQJGMWKSS-GDBMZVCRSA-N 1 0 398.492 1.808 20 0 GDADRO C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1cc(F)c(Br)cc1F ZINC000529339673 649940923 /nfs/dbraw/zinc/94/09/23/649940923.db2.gz MDWQUAWHMYVLQM-NXEZZACHSA-N 1 0 391.260 1.991 20 0 GDADRO CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000529360050 649941296 /nfs/dbraw/zinc/94/12/96/649941296.db2.gz KJBOIGKEDOTFMO-LLVKDONJSA-N 1 0 377.869 1.310 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000826244663 607688012 /nfs/dbraw/zinc/68/80/12/607688012.db2.gz ZVLYJPXMKIXKOQ-UHFFFAOYSA-N 1 0 383.500 1.275 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)C2)C1 ZINC000529419697 649944421 /nfs/dbraw/zinc/94/44/21/649944421.db2.gz SEUULAXZEGDRES-MRXNPFEDSA-N 1 0 389.880 1.312 20 0 GDADRO C[C@@H]1C[C@H](Nc2ncnc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183570 604460432 /nfs/dbraw/zinc/46/04/32/604460432.db2.gz JDQTUHMVLAOTGS-NMWPEEMBSA-N 1 0 376.505 1.964 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](C(=O)[O-])c3cccnc3)c2)C1 ZINC000833081369 605001007 /nfs/dbraw/zinc/00/10/07/605001007.db2.gz UISASMYMPSIRPX-RTBURBONSA-N 1 0 382.464 1.694 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](C(=O)[O-])c3cccnc3)c2)C1 ZINC000833081368 605001078 /nfs/dbraw/zinc/00/10/78/605001078.db2.gz UISASMYMPSIRPX-RBUKOAKNSA-N 1 0 382.464 1.694 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)C1 ZINC000833591378 605045659 /nfs/dbraw/zinc/04/56/59/605045659.db2.gz LGUJRCMLSGKJNG-KZNAEPCWSA-N 1 0 382.549 1.935 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000833627654 605053937 /nfs/dbraw/zinc/05/39/37/605053937.db2.gz YHYDQJIPDVHZQZ-PBHICJAKSA-N 1 0 380.464 1.619 20 0 GDADRO Cc1cc(NC[C@@](C)(O)C[NH+](C)C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000826271214 607738304 /nfs/dbraw/zinc/73/83/04/607738304.db2.gz IGAUPHXOFHZGGX-LJQANCHMSA-N 1 0 380.456 1.701 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(Cl)c21 ZINC000825855868 607737304 /nfs/dbraw/zinc/73/73/04/607737304.db2.gz LGDKFSSWQJFTDW-INIZCTEOSA-N 1 0 379.827 1.354 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C3CC[NH+](CC(=O)[O-])CC3)cc2)C[C@@H](C)O1 ZINC000833623335 605224903 /nfs/dbraw/zinc/22/49/03/605224903.db2.gz PEEHOZCSEODUGH-HZPDHXFCSA-N 1 0 389.496 1.575 20 0 GDADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)CC(C)(C)CN1CCOCC1 ZINC000825923790 607751044 /nfs/dbraw/zinc/75/10/44/607751044.db2.gz VWRHWDCJPPWSKB-UHFFFAOYSA-N 1 0 388.516 1.926 20 0 GDADRO O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000826468627 607752981 /nfs/dbraw/zinc/75/29/81/607752981.db2.gz AVCMDHDRAYXEFO-ZDUSSCGKSA-N 1 0 392.410 1.472 20 0 GDADRO C[N@@H+]1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C2(CCCCC2)C1 ZINC000821626898 606097790 /nfs/dbraw/zinc/09/77/90/606097790.db2.gz DNXJGMOJOWLFFT-KRWDZBQOSA-N 1 0 386.500 1.557 20 0 GDADRO CC(C)OCC[NH+]1CCC(NC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820146650 606153241 /nfs/dbraw/zinc/15/32/41/606153241.db2.gz QBBDCICGSXTUDZ-UHFFFAOYSA-N 1 0 388.472 1.251 20 0 GDADRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820146386 606160551 /nfs/dbraw/zinc/16/05/51/606160551.db2.gz NAAIYBUXASCCMK-UHFFFAOYSA-N 1 0 387.488 1.555 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000821579720 606162493 /nfs/dbraw/zinc/16/24/93/606162493.db2.gz LSBTUUKYGMGZPW-CYBMUJFWSA-N 1 0 389.851 1.678 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000822614270 606167577 /nfs/dbraw/zinc/16/75/77/606167577.db2.gz LCHQSHOWYPFOOB-UHFFFAOYSA-N 1 0 387.492 1.766 20 0 GDADRO COCCOCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000821693082 606185065 /nfs/dbraw/zinc/18/50/65/606185065.db2.gz QJCMPBWFGHBDQO-UHFFFAOYSA-N 1 0 383.456 1.200 20 0 GDADRO COC1CC[NH+](CCNc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000821679773 606200572 /nfs/dbraw/zinc/20/05/72/606200572.db2.gz MGCDGUMASFLLJM-UHFFFAOYSA-N 1 0 389.410 1.638 20 0 GDADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2=O)c1 ZINC000821724915 606225255 /nfs/dbraw/zinc/22/52/55/606225255.db2.gz ZMWNFVTTYACRGX-GOSISDBHSA-N 1 0 394.435 1.779 20 0 GDADRO CC(C)[NH2+]C1CCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000820137411 606318321 /nfs/dbraw/zinc/31/83/21/606318321.db2.gz KDOQUZDROZLRQC-CQSZACIVSA-N 1 0 375.502 1.496 20 0 GDADRO O=C1[C@H](N2CCC[C@@H]([NH+]3CCCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503336 606323927 /nfs/dbraw/zinc/32/39/27/606323927.db2.gz CZYRLZAFHQQDFO-UKRRQHHQSA-N 1 0 387.513 1.594 20 0 GDADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821000201 606333446 /nfs/dbraw/zinc/33/34/46/606333446.db2.gz AWWNFQSGTHHVSH-ROUUACIJSA-N 1 0 383.500 1.432 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCNc2ncccc2-c2nn[nH]n2)C[C@H]1C ZINC000821252818 606383795 /nfs/dbraw/zinc/38/37/95/606383795.db2.gz CENOYVLLGBOTDL-ZIAGYGMSSA-N 1 0 387.492 1.188 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=S)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000821584704 606392131 /nfs/dbraw/zinc/39/21/31/606392131.db2.gz OZMVOQXXGPUJHA-UHFFFAOYSA-N 1 0 389.529 1.996 20 0 GDADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC000820137377 606411054 /nfs/dbraw/zinc/41/10/54/606411054.db2.gz JXTVABJHFXNIGF-UHFFFAOYSA-N 1 0 392.510 1.905 20 0 GDADRO O=S(=O)(NCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cccc(Cl)c1 ZINC000823577890 606413471 /nfs/dbraw/zinc/41/34/71/606413471.db2.gz CGVVFLYKCCSTTC-UHFFFAOYSA-N 1 0 398.901 1.650 20 0 GDADRO c1cc(-c2nn[nH]n2)sc1C[NH2+][C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000823779719 606418984 /nfs/dbraw/zinc/41/89/84/606418984.db2.gz HQFDHOXTMMAKAD-INIZCTEOSA-N 1 0 384.509 1.961 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820420108 606473161 /nfs/dbraw/zinc/47/31/61/606473161.db2.gz MJDVGUDIBIMQJL-ZHRONYKTSA-N 1 0 380.456 1.648 20 0 GDADRO CO[C@@H](C)c1nc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cs1 ZINC000821675785 606475264 /nfs/dbraw/zinc/47/52/64/606475264.db2.gz TUUQFCZADMAOOI-VHSXEESVSA-N 1 0 375.462 1.059 20 0 GDADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000821600343 606500859 /nfs/dbraw/zinc/50/08/59/606500859.db2.gz INMRZBKCXWKEOT-IRXDYDNUSA-N 1 0 393.513 1.923 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)nc2)CC1 ZINC000821628535 606526483 /nfs/dbraw/zinc/52/64/83/606526483.db2.gz KPINGGFTGNKWCP-UHFFFAOYSA-N 1 0 378.440 1.195 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)cs1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000823465808 606539530 /nfs/dbraw/zinc/53/95/30/606539530.db2.gz AHTLUEFCXZJQLZ-UHFFFAOYSA-N 1 0 376.486 1.503 20 0 GDADRO COC(=O)CCC1CC[NH+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000821660242 606614154 /nfs/dbraw/zinc/61/41/54/606614154.db2.gz KPXQIKCIKJDFKF-QGZVFWFLSA-N 1 0 398.467 1.637 20 0 GDADRO CC[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1cccc(C)c1 ZINC000820909626 606618427 /nfs/dbraw/zinc/61/84/27/606618427.db2.gz YXTRTBAVAUZTPS-CABCVRRESA-N 1 0 382.472 1.861 20 0 GDADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC000819857992 606628835 /nfs/dbraw/zinc/62/88/35/606628835.db2.gz XMVIOQVJEYMKFV-CQSZACIVSA-N 1 0 382.472 1.294 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1)C(C)(C)C[NH+](C)C ZINC000820438359 606641695 /nfs/dbraw/zinc/64/16/95/606641695.db2.gz NNTRZSURQIPWJF-SNVBAGLBSA-N 1 0 386.909 1.775 20 0 GDADRO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000821104356 606646382 /nfs/dbraw/zinc/64/63/82/606646382.db2.gz ACJXKQKOPMBKNT-INIZCTEOSA-N 1 0 392.529 1.750 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000822217397 606660725 /nfs/dbraw/zinc/66/07/25/606660725.db2.gz CLOGSVAIGDKRSO-AWEZNQCLSA-N 1 0 387.488 1.732 20 0 GDADRO O=C(C[C@@H]1CCCCO1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822941166 606663797 /nfs/dbraw/zinc/66/37/97/606663797.db2.gz RYYUUVXEPSJWEA-SFHVURJKSA-N 1 0 384.484 1.860 20 0 GDADRO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000819876918 606701641 /nfs/dbraw/zinc/70/16/41/606701641.db2.gz KCLWPHSFCRJULG-SNVBAGLBSA-N 1 0 387.423 1.203 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821586412 606719835 /nfs/dbraw/zinc/71/98/35/606719835.db2.gz WYRURRDYJAJZLC-UHFFFAOYSA-N 1 0 399.455 1.612 20 0 GDADRO C[N@@H+]1CCO[C@@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)ccc(Cl)c43)C[C@H]21 ZINC000821628699 606725920 /nfs/dbraw/zinc/72/59/20/606725920.db2.gz OJZUOYHQNWTIQT-CHWSQXEVSA-N 1 0 389.822 1.727 20 0 GDADRO CC1CC[NH+](CC(=O)NC2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000820722463 606807221 /nfs/dbraw/zinc/80/72/21/606807221.db2.gz IRDNUCUGZVCURE-UHFFFAOYSA-N 1 0 383.500 1.684 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000820751577 606810775 /nfs/dbraw/zinc/81/07/75/606810775.db2.gz GLIYOWSWOMFKAY-WBVHZDCISA-N 1 0 398.515 1.427 20 0 GDADRO C[C@H]1CN(C(=O)NCCSCc2ccccc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000820735335 606827132 /nfs/dbraw/zinc/82/71/32/606827132.db2.gz RIKRYKNPDUKRQZ-XJKSGUPXSA-N 1 0 389.529 1.691 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000821700680 606833615 /nfs/dbraw/zinc/83/36/15/606833615.db2.gz UOYUWWUVFWSRTA-CQSZACIVSA-N 1 0 388.472 1.348 20 0 GDADRO COc1ccccc1N1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821896795 606843040 /nfs/dbraw/zinc/84/30/40/606843040.db2.gz BJNGPXPVBXUSDN-SFHVURJKSA-N 1 0 380.452 1.731 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000821625522 606844091 /nfs/dbraw/zinc/84/40/91/606844091.db2.gz QCJBQQHCJUVFPI-KBPBESRZSA-N 1 0 380.449 1.253 20 0 GDADRO COc1cccc(N2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821873869 606844742 /nfs/dbraw/zinc/84/47/42/606844742.db2.gz ZLUIVGPCHLFVGI-LJQANCHMSA-N 1 0 380.452 1.731 20 0 GDADRO O[C@H](C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681982 606856602 /nfs/dbraw/zinc/85/66/02/606856602.db2.gz LUSUPZDDOWGKPU-LJQANCHMSA-N 1 0 379.468 1.549 20 0 GDADRO O=C(N1CC[NH2+]CC1)N1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000530244597 649968553 /nfs/dbraw/zinc/96/85/53/649968553.db2.gz ZXEPIUKBXWRZKD-UHFFFAOYSA-N 1 0 383.290 1.298 20 0 GDADRO Cc1ccc(N(C)C2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000822241155 606860029 /nfs/dbraw/zinc/86/00/29/606860029.db2.gz MMWAUZPXKHLGIF-SFHVURJKSA-N 1 0 394.483 1.599 20 0 GDADRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823162695 606884074 /nfs/dbraw/zinc/88/40/74/606884074.db2.gz ZSWQAFDRTQQICY-AWEZNQCLSA-N 1 0 398.389 1.291 20 0 GDADRO O=C(C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)N1CCCCC1 ZINC000822917154 606884196 /nfs/dbraw/zinc/88/41/96/606884196.db2.gz OPHDSIFUMBNAEF-GOSISDBHSA-N 1 0 384.484 1.625 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820752903 606891410 /nfs/dbraw/zinc/89/14/10/606891410.db2.gz TYRSDZNBWYUPMK-TVQRCGJNSA-N 1 0 386.428 1.106 20 0 GDADRO Cn1cc(CN2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000822679369 606896468 /nfs/dbraw/zinc/89/64/68/606896468.db2.gz COGYOBJQTYIRTF-UHFFFAOYSA-N 1 0 382.472 1.187 20 0 GDADRO COC(=O)C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C1CCOCC1 ZINC000821662448 606905489 /nfs/dbraw/zinc/90/54/89/606905489.db2.gz COPAFMCKQKRIFK-UHFFFAOYSA-N 1 0 375.429 1.290 20 0 GDADRO CCc1nnc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821527376 606935613 /nfs/dbraw/zinc/93/56/13/606935613.db2.gz DNXDSFNOEBQJAY-CYBMUJFWSA-N 1 0 385.520 1.362 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1ccc(F)cn1 ZINC000821586087 606967892 /nfs/dbraw/zinc/96/78/92/606967892.db2.gz JFRXJIBYNLXBEH-UHFFFAOYSA-N 1 0 398.446 1.674 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625189 607005805 /nfs/dbraw/zinc/00/58/05/607005805.db2.gz HFABEVGOLXCBKS-HOTGVXAUSA-N 1 0 376.486 1.113 20 0 GDADRO CC[C@H](C(=O)N1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1)[NH+](C)C ZINC000820841814 607017277 /nfs/dbraw/zinc/01/72/77/607017277.db2.gz FPOXJSGTOBRCDG-QGZVFWFLSA-N 1 0 394.483 1.404 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2c(Cl)cccc2-c2nn[nH]n2)CC1 ZINC000821623823 607035549 /nfs/dbraw/zinc/03/55/49/607035549.db2.gz UAOUHSXJBIYLPT-CQSZACIVSA-N 1 0 375.864 1.263 20 0 GDADRO 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ZINC000823182816 607195199 /nfs/dbraw/zinc/19/51/99/607195199.db2.gz OLYUIRLXHLRADA-VXGBXAGGSA-N 1 0 377.836 1.505 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000821623573 607230599 /nfs/dbraw/zinc/23/05/99/607230599.db2.gz NKCUUSRPHWASSD-SMDDNHRTSA-N 1 0 396.904 1.625 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825918256 607829045 /nfs/dbraw/zinc/82/90/45/607829045.db2.gz CMDIYDXPVJDLIP-INIZCTEOSA-N 1 0 392.529 1.447 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nn[nH]n3)C2)CC1 ZINC000826023005 607906976 /nfs/dbraw/zinc/90/69/76/607906976.db2.gz VJAVKDCTRCVNCJ-ZDUSSCGKSA-N 1 0 394.476 1.358 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[nH]n3)C2)CC1 ZINC000826022353 607907229 /nfs/dbraw/zinc/90/72/29/607907229.db2.gz KPPWHDSYWQMOOT-CYBMUJFWSA-N 1 0 394.476 1.358 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC000824991600 607909712 /nfs/dbraw/zinc/90/97/12/607909712.db2.gz CTBDVLBZCIFDJF-CJNGLKHVSA-N 1 0 378.502 1.405 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000825923766 607999307 /nfs/dbraw/zinc/99/93/07/607999307.db2.gz UYSGHZYCOBMAJH-UHFFFAOYSA-N 1 0 380.399 1.064 20 0 GDADRO CCc1c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)[nH]c(C)c1C(C)=O ZINC000825687901 608020200 /nfs/dbraw/zinc/02/02/00/608020200.db2.gz NUCXICAJEFIABU-UHFFFAOYSA-N 1 0 399.459 1.396 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2csc(C)n2)c1-c1nn[nH]n1 ZINC000826077353 608021835 /nfs/dbraw/zinc/02/18/35/608021835.db2.gz FIXQAYKQZPSVMI-UHFFFAOYSA-N 1 0 389.489 1.468 20 0 GDADRO Cn1ccnc1[C@H](O)C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826363977 608033227 /nfs/dbraw/zinc/03/32/27/608033227.db2.gz HHRXDIQPEUOKCV-IAGOWNOFSA-N 1 0 383.456 1.079 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ncc(-c2cccs2)o1 ZINC000825938430 608036264 /nfs/dbraw/zinc/03/62/64/608036264.db2.gz SXFWJXNPARNPDI-UHFFFAOYSA-N 1 0 385.457 1.953 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000825934749 608036974 /nfs/dbraw/zinc/03/69/74/608036974.db2.gz RLDIKPPJQYJFKN-HNNXBMFYSA-N 1 0 395.471 1.232 20 0 GDADRO O[C@@H](CNc1ccc(-c2nn[nH]n2)cc1Br)C[NH+]1CCCCC1 ZINC000826503027 608048301 /nfs/dbraw/zinc/04/83/01/608048301.db2.gz OVVSJVOHYMTESM-LBPRGKRZSA-N 1 0 381.278 1.888 20 0 GDADRO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825406323 608062052 /nfs/dbraw/zinc/06/20/52/608062052.db2.gz KHTFUOUKFFZZIS-WMLDXEAASA-N 1 0 387.488 1.680 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC000824297551 608062224 /nfs/dbraw/zinc/06/22/24/608062224.db2.gz WPXKFQILBIWXCT-MAUKXSAKSA-N 1 0 399.499 1.680 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824975988 608065302 /nfs/dbraw/zinc/06/53/02/608065302.db2.gz LQZMECDFPHRZNZ-XWIAVFTESA-N 1 0 397.483 1.432 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(-c2nn[nH]n2)cs1 ZINC000826431701 608076017 /nfs/dbraw/zinc/07/60/17/608076017.db2.gz IJJCJIJOIWRZNK-HZPDHXFCSA-N 1 0 398.492 1.541 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000826431824 608076064 /nfs/dbraw/zinc/07/60/64/608076064.db2.gz LITSCUKRPBXXTK-RTBURBONSA-N 1 0 392.463 1.480 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nn[nH]n2)s1 ZINC000826431425 608076066 /nfs/dbraw/zinc/07/60/66/608076066.db2.gz AMLDWJDEFJRJQT-LSDHHAIUSA-N 1 0 398.492 1.541 20 0 GDADRO C[C@@H]1CN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824992226 608150890 /nfs/dbraw/zinc/15/08/90/608150890.db2.gz KWNXWDMMPRDSLB-TZMCWYRMSA-N 1 0 376.896 1.377 20 0 GDADRO C[C@@H]1CN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824991523 608151249 /nfs/dbraw/zinc/15/12/49/608151249.db2.gz BVUFMDMIKYXMDX-BEFAXECRSA-N 1 0 392.511 1.877 20 0 GDADRO C[C@@H]1CN(c2nc3c(cc2-c2nn[nH]n2)CCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000825001280 608151553 /nfs/dbraw/zinc/15/15/53/608151553.db2.gz YNYKZYIUSXGHDE-RDTXWAMCSA-N 1 0 382.516 1.213 20 0 GDADRO O=C(C[NH+]1CCC(Cc2cccnc2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410216 608209489 /nfs/dbraw/zinc/20/94/89/608209489.db2.gz GTLLBKYVUBYWJX-UHFFFAOYSA-N 1 0 391.479 1.833 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1)c1cccc(F)c1 ZINC000825848251 608215736 /nfs/dbraw/zinc/21/57/36/608215736.db2.gz AVTXOWWKPSXSGI-HNNXBMFYSA-N 1 0 384.419 1.232 20 0 GDADRO CC[NH+](CC)Cc1cccc(CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)c1 ZINC000825415958 608219957 /nfs/dbraw/zinc/21/99/57/608219957.db2.gz GEBMWAMUDSOLON-UHFFFAOYSA-N 1 0 394.483 1.832 20 0 GDADRO Cc1ccc([C@@H](CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)[NH+]2CCCC2)o1 ZINC000826284178 608221566 /nfs/dbraw/zinc/22/15/66/608221566.db2.gz MHXLBVSICGUEKE-OAHLLOKOSA-N 1 0 396.455 1.528 20 0 GDADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC000825195014 608222948 /nfs/dbraw/zinc/22/29/48/608222948.db2.gz URSRVYQDIDWBOJ-CQSZACIVSA-N 1 0 386.504 1.690 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc3cc(-c4nn[nH]n4)ccc3n2)CC1 ZINC000825840295 608226845 /nfs/dbraw/zinc/22/68/45/608226845.db2.gz NLZFKQHJTWQUFY-UHFFFAOYSA-N 1 0 394.483 1.770 20 0 GDADRO Nc1nc(-n2cccn2)cc(N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)[nH+]1 ZINC000826396100 608234934 /nfs/dbraw/zinc/23/49/34/608234934.db2.gz HEXVHLTYFAAQTR-AWEZNQCLSA-N 1 0 390.411 1.003 20 0 GDADRO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826489983 608249994 /nfs/dbraw/zinc/24/99/94/608249994.db2.gz GKMYVUNQCIEICU-UHFFFAOYSA-N 1 0 399.480 1.457 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)n1 ZINC000826275366 608285371 /nfs/dbraw/zinc/28/53/71/608285371.db2.gz XUDJVMRYERRGTP-UHFFFAOYSA-N 1 0 379.472 1.353 20 0 GDADRO CC(=O)OC1CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000824009778 608315688 /nfs/dbraw/zinc/31/56/88/608315688.db2.gz DGSWYHSCLCHFGY-UHFFFAOYSA-N 1 0 381.440 1.888 20 0 GDADRO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCc2cnccn2)c1-c1nn[nH]n1 ZINC000826332050 608322261 /nfs/dbraw/zinc/32/22/61/608322261.db2.gz IGFDPQVATKBHMT-UHFFFAOYSA-N 1 0 375.440 1.825 20 0 GDADRO O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000826486265 608329529 /nfs/dbraw/zinc/32/95/29/608329529.db2.gz VZMSJYZQANDQBJ-HUUCEWRRSA-N 1 0 380.449 1.052 20 0 GDADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000825860001 608342361 /nfs/dbraw/zinc/34/23/61/608342361.db2.gz JTUXSJNMGYHZGL-UHFFFAOYSA-N 1 0 396.492 1.748 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000826168431 608375747 /nfs/dbraw/zinc/37/57/47/608375747.db2.gz MMKDXSONVCHXQG-YJBOKZPZSA-N 1 0 385.516 1.333 20 0 GDADRO COc1ccc(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)cc1-c1nn[nH]n1 ZINC000826202908 608385584 /nfs/dbraw/zinc/38/55/84/608385584.db2.gz SHQBXPVTASTUGS-AWEZNQCLSA-N 1 0 384.415 1.448 20 0 GDADRO CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000825870426 608408167 /nfs/dbraw/zinc/40/81/67/608408167.db2.gz LWTUOOFQASWRAO-UHFFFAOYSA-N 1 0 398.475 1.330 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826431364 608420457 /nfs/dbraw/zinc/42/04/57/608420457.db2.gz ZHXQYABZILCTQK-KRWDZBQOSA-N 1 0 379.468 1.902 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000826389511 608436045 /nfs/dbraw/zinc/43/60/45/608436045.db2.gz ADJUWAVXLVPXID-QGZVFWFLSA-N 1 0 392.467 1.333 20 0 GDADRO O=C1CCCN1C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826480408 608444291 /nfs/dbraw/zinc/44/42/91/608444291.db2.gz AHNSYTLTUYEPKO-RTBURBONSA-N 1 0 392.463 1.853 20 0 GDADRO COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826209843 608469515 /nfs/dbraw/zinc/46/95/15/608469515.db2.gz SWFWAJRDXAXUHY-LBPRGKRZSA-N 1 0 395.423 1.874 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)ccc1OCCO 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HZZSLHLRINADCA-INIZCTEOSA-N 1 0 387.465 1.621 20 0 GDADRO CS(=O)(=O)C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826222526 608553980 /nfs/dbraw/zinc/55/39/80/608553980.db2.gz ZSQISVCGDLYAHQ-IRXDYDNUSA-N 1 0 387.465 1.276 20 0 GDADRO COCCn1cc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC000826163573 608584736 /nfs/dbraw/zinc/58/47/36/608584736.db2.gz AGXKJIYEFFZFIO-UHFFFAOYSA-N 1 0 382.472 1.422 20 0 GDADRO Cc1nn(C)cc1C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826334100 608660007 /nfs/dbraw/zinc/66/00/07/608660007.db2.gz HRIRUMRKFVZORW-UHFFFAOYSA-N 1 0 380.456 1.759 20 0 GDADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3ccnc3-c3nn[nH]n3)CC2)cc1 ZINC000826288187 608888375 /nfs/dbraw/zinc/88/83/75/608888375.db2.gz VHGDHNHSXAXOEK-UHFFFAOYSA-N 1 0 380.456 1.106 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824613238 609133676 /nfs/dbraw/zinc/13/36/76/609133676.db2.gz RZPSLNMHMWUVBY-NSHDSACASA-N 1 0 397.414 1.072 20 0 GDADRO CC[N@H+](CCNC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1)C(C)C ZINC000825424559 609153211 /nfs/dbraw/zinc/15/32/11/609153211.db2.gz KJHYHUBMCVUEPU-UHFFFAOYSA-N 1 0 382.472 1.821 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000825851965 609187806 /nfs/dbraw/zinc/18/78/06/609187806.db2.gz ZDPOCZFKWAACHU-ZWKOTPCHSA-N 1 0 380.452 1.189 20 0 GDADRO OC1CCN(c2ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2-c2nn[nH]n2)CC1 ZINC000826507309 609241082 /nfs/dbraw/zinc/24/10/82/609241082.db2.gz MERAXFXJLIRUJZ-JKSUJKDBSA-N 1 0 383.500 1.867 20 0 GDADRO C[C@@H](CCNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000824400954 609242126 /nfs/dbraw/zinc/24/21/26/609242126.db2.gz NDCGYZMLXFDVHN-HNAYVOBHSA-N 1 0 394.479 1.927 20 0 GDADRO C[N@@H+]1CC[C@H](NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826029743 609255854 /nfs/dbraw/zinc/25/58/54/609255854.db2.gz VSANIFPMFKJIFR-RCCFBDPRSA-N 1 0 378.436 1.462 20 0 GDADRO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[NH+](C)C ZINC000824185306 609264921 /nfs/dbraw/zinc/26/49/21/609264921.db2.gz VIUMYNBSMYMGGN-CVEARBPZSA-N 1 0 385.472 1.065 20 0 GDADRO CC[C@@H](C)Oc1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)ccn1 ZINC000825075255 609267126 /nfs/dbraw/zinc/26/71/26/609267126.db2.gz NPYYGBIMNRGJSK-LLVKDONJSA-N 1 0 399.459 1.566 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C=Cc1ccncn1 ZINC000825866049 609298326 /nfs/dbraw/zinc/29/83/26/609298326.db2.gz PZGDWIAFYGIAOJ-FPLPWBNLSA-N 1 0 378.440 1.260 20 0 GDADRO Cn1cc(C[NH2+]CCN2CCOC(C)(C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826362021 609338981 /nfs/dbraw/zinc/33/89/81/609338981.db2.gz ZYEUJOCXBQGNRU-UHFFFAOYSA-N 1 0 396.499 1.468 20 0 GDADRO Cn1cc(C[NH2+]CCCOC[C@@H]2CCOC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361539 609340392 /nfs/dbraw/zinc/34/03/92/609340392.db2.gz BJFYFFKMDMFLSK-HNNXBMFYSA-N 1 0 397.483 1.800 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824553244 609347490 /nfs/dbraw/zinc/34/74/90/609347490.db2.gz ANYOYEYXMHNSDQ-PGUXBMHVSA-N 1 0 382.465 1.326 20 0 GDADRO C[NH+](C)CCOc1cc(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)ccn1 ZINC000825870306 609350865 /nfs/dbraw/zinc/35/08/65/609350865.db2.gz GEMJLOBUTVUZLO-UHFFFAOYSA-N 1 0 385.403 1.271 20 0 GDADRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C1 ZINC000825444803 609363404 /nfs/dbraw/zinc/36/34/04/609363404.db2.gz REQSZEUYRVAMIS-YPMHNXCESA-N 1 0 399.434 1.653 20 0 GDADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C1 ZINC000825444802 609363775 /nfs/dbraw/zinc/36/37/75/609363775.db2.gz REQSZEUYRVAMIS-WCQYABFASA-N 1 0 399.434 1.653 20 0 GDADRO CC(C)Cn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000824280182 609377678 /nfs/dbraw/zinc/37/76/78/609377678.db2.gz FUEORNQAZKEKCD-UHFFFAOYSA-N 1 0 396.499 1.923 20 0 GDADRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[C@@H](C)C1 ZINC000823972543 609416224 /nfs/dbraw/zinc/41/62/24/609416224.db2.gz CDXLPVVLSYPODJ-DOPJRALCSA-N 1 0 397.483 1.209 20 0 GDADRO Cc1onc(CC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826345550 609472806 /nfs/dbraw/zinc/47/28/06/609472806.db2.gz NLXAAFZDOFWMJL-CJNGLKHVSA-N 1 0 395.467 1.732 20 0 GDADRO CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825395268 609514498 /nfs/dbraw/zinc/51/44/98/609514498.db2.gz MXOGBYGUICHKGH-ZDUSSCGKSA-N 1 0 388.472 1.708 20 0 GDADRO C[C@@H](CCNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824402773 609605620 /nfs/dbraw/zinc/60/56/20/609605620.db2.gz YLANQUGBOXWBEZ-LBPRGKRZSA-N 1 0 379.490 1.191 20 0 GDADRO Cc1nc(CN2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)cs1 ZINC000531372062 649989960 /nfs/dbraw/zinc/98/99/60/649989960.db2.gz DDEJIZGQESMQJF-KRWDZBQOSA-N 1 0 383.587 1.716 20 0 GDADRO O=C(NCc1n[nH]cc1Br)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000532652985 650029826 /nfs/dbraw/zinc/02/98/26/650029826.db2.gz YNHBMLIESNWPQN-ZIAGYGMSSA-N 1 0 386.294 1.349 20 0 GDADRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533346320 650049245 /nfs/dbraw/zinc/04/92/45/650049245.db2.gz AAADCKFZRHIRLS-MRXNPFEDSA-N 1 0 380.242 1.842 20 0 GDADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000533359635 650049372 /nfs/dbraw/zinc/04/93/72/650049372.db2.gz WDDZGVPPROXNTI-OAHLLOKOSA-N 1 0 376.567 1.514 20 0 GDADRO O=C(NCC[NH+]1CCC1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000533571311 650069333 /nfs/dbraw/zinc/06/93/33/650069333.db2.gz OGIWMOMTXZBGMS-UHFFFAOYSA-N 1 0 379.262 1.739 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000533992450 650216863 /nfs/dbraw/zinc/21/68/63/650216863.db2.gz UWLKVVSFYUKPQI-UHFFFAOYSA-N 1 0 383.286 1.937 20 0 GDADRO CCCCS(=O)(=O)NCC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000534851658 650232436 /nfs/dbraw/zinc/23/24/36/650232436.db2.gz BSIYOHJRDAPTBD-UHFFFAOYSA-N 1 0 389.949 1.950 20 0 GDADRO O=C(Cn1cc(Br)cn1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534935468 650235820 /nfs/dbraw/zinc/23/58/20/650235820.db2.gz XGFLKBMKLQHTJI-HOTGVXAUSA-N 1 0 393.285 1.397 20 0 GDADRO C[N@H+](CCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br)C1CC1 ZINC000535061130 650240629 /nfs/dbraw/zinc/24/06/29/650240629.db2.gz XSWRJZVOCQLBSG-OAHLLOKOSA-N 1 0 395.301 1.726 20 0 GDADRO COc1ccc(C[N@H+](C)CC2(O)CCS(=O)(=O)CC2)cc1OC(F)F ZINC000535277618 650245698 /nfs/dbraw/zinc/24/56/98/650245698.db2.gz ZRHDKGJCGGNJLR-UHFFFAOYSA-N 1 0 379.425 1.668 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000535710709 650254157 /nfs/dbraw/zinc/25/41/57/650254157.db2.gz GHDOWXFCBGKBIM-UHFFFAOYSA-N 1 0 385.486 1.787 20 0 GDADRO COc1cc(C[NH2+]CC2CCS(=O)(=O)CC2)cc(Cl)c1OCC(N)=O ZINC000535944476 650260917 /nfs/dbraw/zinc/26/09/17/650260917.db2.gz RHPFVRYEPJSVST-UHFFFAOYSA-N 1 0 390.889 1.127 20 0 GDADRO COc1cc(C[N@H+](C)CC2(O)CCS(=O)(=O)CC2)ccc1OC(F)F ZINC000536609291 650273776 /nfs/dbraw/zinc/27/37/76/650273776.db2.gz LAHPROQLOIDCOL-UHFFFAOYSA-N 1 0 379.425 1.668 20 0 GDADRO CSCC[C@H](CO)[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000536845042 650281787 /nfs/dbraw/zinc/28/17/87/650281787.db2.gz KTCXWSFCKWIIBU-GDBMZVCRSA-N 1 0 388.555 1.472 20 0 GDADRO CSCC[C@H](CO)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000536845062 650281966 /nfs/dbraw/zinc/28/19/66/650281966.db2.gz KTCXWSFCKWIIBU-GOEBONIOSA-N 1 0 388.555 1.472 20 0 GDADRO CS[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(C)cc2)C[C@@H]1[NH+](C)C ZINC000540124283 650349788 /nfs/dbraw/zinc/34/97/88/650349788.db2.gz GIHIAGNNXGUEQX-JKSUJKDBSA-N 1 0 385.555 1.167 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(-n2cncn2)cc1Cl ZINC000540173779 650350950 /nfs/dbraw/zinc/35/09/50/650350950.db2.gz TXKABWKUADHADA-OLZOCXBDSA-N 1 0 383.905 1.995 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000540603407 650365049 /nfs/dbraw/zinc/36/50/49/650365049.db2.gz YARBORGQULOWHQ-DGCLKSJQSA-N 1 0 376.425 1.317 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000541322437 650381965 /nfs/dbraw/zinc/38/19/65/650381965.db2.gz LQPISYPTDNYBRA-IAOVAPTHSA-N 1 0 397.313 1.989 20 0 GDADRO CN(CCC(=O)N1CSC[C@H]1C(=O)N1CCSCC1)c1cc[nH+]cc1 ZINC000543716055 650428879 /nfs/dbraw/zinc/42/88/79/650428879.db2.gz JCTPFYFZGHDYEE-HNNXBMFYSA-N 1 0 380.539 1.385 20 0 GDADRO COC[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000544411231 650439571 /nfs/dbraw/zinc/43/95/71/650439571.db2.gz VXLKTCZFNBXKNF-GOEBONIOSA-N 1 0 388.555 1.524 20 0 GDADRO O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000545506048 650459204 /nfs/dbraw/zinc/45/92/04/650459204.db2.gz GAZGIHKNWLZSEA-GJZGRUSLSA-N 1 0 398.301 1.725 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000547275566 650493504 /nfs/dbraw/zinc/49/35/04/650493504.db2.gz FAARFYCZAXAOSG-CYBMUJFWSA-N 1 0 396.175 1.366 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000547292430 650494310 /nfs/dbraw/zinc/49/43/10/650494310.db2.gz KLLKXTNRWHYUEA-DLBZAZTESA-N 1 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ZINC000551370629 650605281 /nfs/dbraw/zinc/60/52/81/650605281.db2.gz MCSNXYSBXPMYKW-SLEUVZQESA-N 1 0 395.301 1.971 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000552428763 650626298 /nfs/dbraw/zinc/62/62/98/650626298.db2.gz SRDXNBSDZUBYIC-FZMZJTMJSA-N 1 0 398.301 1.673 20 0 GDADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000552944651 650635192 /nfs/dbraw/zinc/63/51/92/650635192.db2.gz LEEULZKIFBASHM-IAQYHMDHSA-N 1 0 396.285 1.712 20 0 GDADRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000554812276 650682020 /nfs/dbraw/zinc/68/20/20/650682020.db2.gz SQUNWPQOGHWSRZ-QWRGUYRKSA-N 1 0 390.889 1.859 20 0 GDADRO CC[C@@H](NS(=O)(=O)CC[NH+](CC)CC)c1cccc(S(N)(=O)=O)c1 ZINC000554956783 650683990 /nfs/dbraw/zinc/68/39/90/650683990.db2.gz NUCXPDFWLGEVFT-OAHLLOKOSA-N 1 0 377.532 1.046 20 0 GDADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000556244201 650700994 /nfs/dbraw/zinc/70/09/94/650700994.db2.gz ZLLXZXPLCRJESI-LSDHHAIUSA-N 1 0 380.576 1.525 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000557131394 650719289 /nfs/dbraw/zinc/71/92/89/650719289.db2.gz QOPBZMBGEUMOSP-CYBMUJFWSA-N 1 0 387.315 1.489 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000559651736 650734806 /nfs/dbraw/zinc/73/48/06/650734806.db2.gz OLTBPAXAXMEPSF-OAHLLOKOSA-N 1 0 382.302 1.708 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000563768003 650739793 /nfs/dbraw/zinc/73/97/93/650739793.db2.gz MRUWJYOEMIMCTD-UHFFFAOYSA-N 1 0 383.286 1.961 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000564085174 650747935 /nfs/dbraw/zinc/74/79/35/650747935.db2.gz TWZROWPSMIUSTC-HNNXBMFYSA-N 1 0 398.326 1.784 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000564450610 650758073 /nfs/dbraw/zinc/75/80/73/650758073.db2.gz KMSUUYYCHIPWTR-LLVKDONJSA-N 1 0 397.229 1.396 20 0 GDADRO CO[C@@H]1CCN(C(=O)Cc2ccc(I)cc2)[C@H](C[NH3+])C1 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PTZGWNOJUMBMJU-UHFFFAOYSA-N 1 0 386.539 1.553 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)O1 ZINC000566113061 650827598 /nfs/dbraw/zinc/82/75/98/650827598.db2.gz CWYVRPYSYFQFQG-IOASZLSFSA-N 1 0 391.295 1.959 20 0 GDADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccccc2Br)C1)CN1CCOCC1 ZINC000566116282 650828112 /nfs/dbraw/zinc/82/81/12/650828112.db2.gz JRGYYGIUUJVBIZ-GJZGRUSLSA-N 1 0 384.318 1.311 20 0 GDADRO CN1CCN(C(=O)CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000566117658 650828535 /nfs/dbraw/zinc/82/85/35/650828535.db2.gz TXCGAWVYFHFLHL-AWEZNQCLSA-N 1 0 390.311 1.487 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)CCN1c1ccc(Cl)cc1Cl ZINC000566124145 650828928 /nfs/dbraw/zinc/82/89/28/650828928.db2.gz UFWFNDRAEHCDTB-UKRRQHHQSA-N 1 0 388.295 1.381 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1(c2cccc(Br)c2)CC1 ZINC000566185663 650833818 /nfs/dbraw/zinc/83/38/18/650833818.db2.gz XPGKHQLVLVWOEA-CQSZACIVSA-N 1 0 380.286 1.813 20 0 GDADRO C[NH2+][C@@H](C(=O)N1CCOc2ccc(Br)cc2C1)c1cnn(C)c1 ZINC000566194817 650834295 /nfs/dbraw/zinc/83/42/95/650834295.db2.gz MICMEOZNIHBGEA-OAHLLOKOSA-N 1 0 379.258 1.864 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NCC[NH2+]C)cc(Br)c1C ZINC000566215272 650835262 /nfs/dbraw/zinc/83/52/62/650835262.db2.gz FUKNCHBUQRTDKH-UHFFFAOYSA-N 1 0 379.276 1.432 20 0 GDADRO C[C@H](CCC[NH3+])NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000566223389 650835577 /nfs/dbraw/zinc/83/55/77/650835577.db2.gz MAMGVGBCPQNPMZ-CJNGLKHVSA-N 1 0 387.933 1.991 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCC[C@@H]1CC[NH2+]C1 ZINC000566237292 650837203 /nfs/dbraw/zinc/83/72/03/650837203.db2.gz PPJCQRNAFAFLDY-JTQLQIEISA-N 1 0 380.297 1.388 20 0 GDADRO [NH3+]CCC1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000566406337 650844681 /nfs/dbraw/zinc/84/46/81/650844681.db2.gz IYTRMADIRBTBQY-UHFFFAOYSA-N 1 0 396.285 1.762 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NCCC[NH2+]C)cc(Br)c1C ZINC000566738147 650863926 /nfs/dbraw/zinc/86/39/26/650863926.db2.gz 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O=C(NCC[C@H]1CCC[NH2+]C1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000567469681 650906195 /nfs/dbraw/zinc/90/61/95/650906195.db2.gz VOWUMSCMOABOHV-SNVBAGLBSA-N 1 0 382.258 1.900 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1OC ZINC000567470510 650906204 /nfs/dbraw/zinc/90/62/04/650906204.db2.gz CUPYZNHERNRESO-UWVGGRQHSA-N 1 0 375.878 1.079 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000567662797 650913067 /nfs/dbraw/zinc/91/30/67/650913067.db2.gz KYAQLQXNOGJEKA-GWCFXTLKSA-N 1 0 382.258 1.903 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)COCc2ccccc2)s1 ZINC000567688309 650915103 /nfs/dbraw/zinc/91/51/03/650915103.db2.gz NEEZZARQZBCPOW-INIZCTEOSA-N 1 0 384.523 1.502 20 0 GDADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CCOC2(C[NH2+]C2)C1 ZINC000567715753 650916472 /nfs/dbraw/zinc/91/64/72/650916472.db2.gz YFJMLMJMLAEAEA-UHFFFAOYSA-N 1 0 393.285 1.857 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](C)Cn1cccn1 ZINC000048785127 644394198 /nfs/dbraw/zinc/39/41/98/644394198.db2.gz CUSLFLKYSSOBNG-GXTWGEPZSA-N 1 0 385.921 1.827 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN1CCc2c(Br)ccc(F)c2C1 ZINC000567831371 650922768 /nfs/dbraw/zinc/92/27/68/650922768.db2.gz KCZGLLUCOITMQC-GFCCVEGCSA-N 1 0 375.282 1.885 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1csc2ccccc21 ZINC000567862508 650925174 /nfs/dbraw/zinc/92/51/74/650925174.db2.gz GSEAZOGDHIWLPP-ZDUSSCGKSA-N 1 0 381.523 1.910 20 0 GDADRO OCCN1CCCC[C@H]1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000567873050 650925966 /nfs/dbraw/zinc/92/59/66/650925966.db2.gz MHXRKEGFJMESEH-HOTGVXAUSA-N 1 0 387.318 1.625 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2Br)C[C@@H](C)[NH2+]1 ZINC000567881181 650926820 /nfs/dbraw/zinc/92/68/20/650926820.db2.gz UMBPQNPLPDSMKN-NXEZZACHSA-N 1 0 388.693 1.928 20 0 GDADRO C[NH+](C)CCCNC(=S)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000063675718 644522972 /nfs/dbraw/zinc/52/29/72/644522972.db2.gz NJOHBTRWPLLYEW-UHFFFAOYSA-N 1 0 384.571 1.209 20 0 GDADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1c(F)cc(Br)cc1F ZINC000568212531 650940869 /nfs/dbraw/zinc/94/08/69/650940869.db2.gz BRRZMFKOOBGZCZ-HNNXBMFYSA-N 1 0 375.213 1.914 20 0 GDADRO CN(CCc1ccc(Br)cc1)CN1C(=O)NC2(CCOCC2)C1=O ZINC000106854531 644613295 /nfs/dbraw/zinc/61/32/95/644613295.db2.gz JYXHXFCXKUJAEL-UHFFFAOYSA-N 1 0 396.285 1.982 20 0 GDADRO CCC[NH2+][C@H](C)C(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000568083310 650936724 /nfs/dbraw/zinc/93/67/24/650936724.db2.gz CMSUSPCDVWPPOV-CYBMUJFWSA-N 1 0 375.560 1.825 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000568132457 650938051 /nfs/dbraw/zinc/93/80/51/650938051.db2.gz BYNKYXOKHAOGBU-NEPJUHHUSA-N 1 0 390.472 1.228 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000568133395 650938121 /nfs/dbraw/zinc/93/81/21/650938121.db2.gz WLHLMSHAYCMJCL-LLVKDONJSA-N 1 0 382.349 1.871 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000568241677 650942673 /nfs/dbraw/zinc/94/26/73/650942673.db2.gz WCRULSMQAORFLU-CJNGLKHVSA-N 1 0 394.313 1.926 20 0 GDADRO COc1cc(C[NH2+]CCC(=O)N(C)C)cc(I)c1OC ZINC000129741872 644736074 /nfs/dbraw/zinc/73/60/74/644736074.db2.gz KBIIGEGHCNKPMF-UHFFFAOYSA-N 1 0 392.237 1.876 20 0 GDADRO [NH3+]CCn1cc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)nn1 ZINC000568287287 650951042 /nfs/dbraw/zinc/95/10/42/650951042.db2.gz ZOERFWBQXGHMJL-LBPRGKRZSA-N 1 0 383.283 1.942 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc(F)c1F ZINC000154715122 644805124 /nfs/dbraw/zinc/80/51/24/644805124.db2.gz PSLGILFGJUJGAF-UHFFFAOYSA-N 1 0 376.425 1.762 20 0 GDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000155196501 644809662 /nfs/dbraw/zinc/80/96/62/644809662.db2.gz NFVAWGQLOXJIAS-HNNXBMFYSA-N 1 0 394.269 1.580 20 0 GDADRO C[C@@H]([NH2+]CCc1ccco1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000155955966 644816647 /nfs/dbraw/zinc/81/66/47/644816647.db2.gz SHERNHGCSZQVIY-CYBMUJFWSA-N 1 0 386.495 1.899 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000157518322 644830286 /nfs/dbraw/zinc/83/02/86/644830286.db2.gz SIKNPPYNWWQYAW-CYBMUJFWSA-N 1 0 399.289 1.352 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000171853677 644879251 /nfs/dbraw/zinc/87/92/51/644879251.db2.gz WFDOGSJKKVTTKG-LBPRGKRZSA-N 1 0 384.493 1.280 20 0 GDADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)CC(C)C ZINC000568460872 650959791 /nfs/dbraw/zinc/95/97/91/650959791.db2.gz GEAITNXSGDIAEX-CQSZACIVSA-N 1 0 391.559 1.369 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000176911152 644914576 /nfs/dbraw/zinc/91/45/76/644914576.db2.gz IZLYBIYTPAAIDD-JTQLQIEISA-N 1 0 384.470 1.831 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)c1F ZINC000177694800 644919669 /nfs/dbraw/zinc/91/96/69/644919669.db2.gz ZNLYQPYSWVQOHR-UHFFFAOYSA-N 1 0 376.425 1.906 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)c1F ZINC000177704706 644920336 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GREGXRZQQZSJDN-ABAIWWIYSA-N 1 0 386.279 1.714 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569972481 651020254 /nfs/dbraw/zinc/02/02/54/651020254.db2.gz YVOCJUGYZQVRTD-HBNTYKKESA-N 1 0 388.281 1.877 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000331843391 645537701 /nfs/dbraw/zinc/53/77/01/645537701.db2.gz BXRMRHAAVNIPBP-STQMWFEESA-N 1 0 398.305 1.195 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000570066322 651025189 /nfs/dbraw/zinc/02/51/89/651025189.db2.gz JXUPFXAQAVAIKL-WDEREUQCSA-N 1 0 392.884 1.149 20 0 GDADRO CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000368568697 645619941 /nfs/dbraw/zinc/61/99/41/645619941.db2.gz HBFSOVRNXSQZAP-GJZGRUSLSA-N 1 0 380.432 1.622 20 0 GDADRO COc1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000368631706 645621675 /nfs/dbraw/zinc/62/16/75/645621675.db2.gz IIVRDZTUOXIKHW-CYBMUJFWSA-N 1 0 375.288 1.878 20 0 GDADRO 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COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000422978967 646104990 /nfs/dbraw/zinc/10/49/90/646104990.db2.gz IHWKXJIWNFOZBZ-ZDUSSCGKSA-N 1 0 388.251 1.168 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422980341 646105157 /nfs/dbraw/zinc/10/51/57/646105157.db2.gz LOWGYMWGXMINAB-UHFFFAOYSA-N 1 0 396.285 1.428 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000422994024 646106230 /nfs/dbraw/zinc/10/62/30/646106230.db2.gz UOPIOUMHIGBHQK-KRWDZBQOSA-N 1 0 380.286 1.620 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2Br)C[C@@]1(C)C[NH3+] ZINC000422994402 646106929 /nfs/dbraw/zinc/10/69/29/646106929.db2.gz VKNUAYYPBWVZCM-SJKOYZFVSA-N 1 0 382.302 1.851 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423002431 646107471 /nfs/dbraw/zinc/10/74/71/646107471.db2.gz JHFIFMJJWAMWSS-LLVKDONJSA-N 1 0 384.274 1.236 20 0 GDADRO C[NH+](C)C1CC(NS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000916909342 660203253 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COC(=O)C[C@H]([NH3+])C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000423118552 646115253 /nfs/dbraw/zinc/11/52/53/646115253.db2.gz BDOIARGVFHKVAL-NSHDSACASA-N 1 0 386.246 1.093 20 0 GDADRO C[C@H](C[C@@H]1COCCN1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423115999 646115289 /nfs/dbraw/zinc/11/52/89/646115289.db2.gz ONZRLOYFUNBBMJ-DGCLKSJQSA-N 1 0 379.885 1.114 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000423126956 646115874 /nfs/dbraw/zinc/11/58/74/646115874.db2.gz BIFBDCXLZVRPSG-WDEREUQCSA-N 1 0 388.331 1.912 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000423137460 646116499 /nfs/dbraw/zinc/11/64/99/646116499.db2.gz RAEXFOKRHTWVIF-UHFFFAOYSA-N 1 0 388.331 1.927 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1occc1Br)CCO2 ZINC000916637819 660197661 /nfs/dbraw/zinc/19/76/61/660197661.db2.gz SSXXQEGTKIFCAN-UHFFFAOYSA-N 1 0 379.276 1.527 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000423233734 646120025 /nfs/dbraw/zinc/12/00/25/646120025.db2.gz ONJWYTWURBCRGR-ZDUSSCGKSA-N 1 0 394.313 1.792 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423236677 646120658 /nfs/dbraw/zinc/12/06/58/646120658.db2.gz SCSYMDPULMKKSO-WCQYABFASA-N 1 0 398.276 1.615 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423238280 646121197 /nfs/dbraw/zinc/12/11/97/646121197.db2.gz IZJGSTOSMMSHOH-UHFFFAOYSA-N 1 0 384.318 1.893 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423479057 646125834 /nfs/dbraw/zinc/12/58/34/646125834.db2.gz LREWNKHBDFJUQL-CQSZACIVSA-N 1 0 376.404 1.475 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423455381 646125874 /nfs/dbraw/zinc/12/58/74/646125874.db2.gz MENQTEVBQNYJES-CABCVRRESA-N 1 0 394.313 1.784 20 0 GDADRO C[C@@H](NC[C@@H]1C[NH2+]CCN1C)c1ccc(F)c(I)c1 ZINC000423528471 646128195 /nfs/dbraw/zinc/12/81/95/646128195.db2.gz WOYJUVOHEDNQHD-PWSUYJOCSA-N 1 0 377.245 1.985 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000423612506 646137180 /nfs/dbraw/zinc/13/71/80/646137180.db2.gz UGPAZSNFKNHRES-SNVBAGLBSA-N 1 0 388.693 1.881 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000423626960 646138592 /nfs/dbraw/zinc/13/85/92/646138592.db2.gz HPRWCBPHWHJDER-STQMWFEESA-N 1 0 398.301 1.495 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000423652188 646139184 /nfs/dbraw/zinc/13/91/84/646139184.db2.gz WYBYNIKYDYEGPJ-ZANVPECISA-N 1 0 380.242 1.383 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)CC1 ZINC000423670263 646141278 /nfs/dbraw/zinc/14/12/78/646141278.db2.gz AMBJJGGZUVKTDE-UHFFFAOYSA-N 1 0 382.302 1.660 20 0 GDADRO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N(C)CC[NH3+] ZINC000424002186 646151926 /nfs/dbraw/zinc/15/19/26/646151926.db2.gz IJCIICMYKCDPEN-CQSZACIVSA-N 1 0 385.306 1.834 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)COc3ccccc3Br)C2)nn1 ZINC000424009776 646152482 /nfs/dbraw/zinc/15/24/82/646152482.db2.gz YPZNXXFIQTWSBB-CYBMUJFWSA-N 1 0 394.273 1.742 20 0 GDADRO CN(CC(=O)NC(C)(C)CC[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000424045157 646155999 /nfs/dbraw/zinc/15/59/99/646155999.db2.gz HAZSBVGVDJLCRU-UHFFFAOYSA-N 1 0 392.319 1.313 20 0 GDADRO C[C@@H]1C[C@H](C)N(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000424050691 646156569 /nfs/dbraw/zinc/15/65/69/646156569.db2.gz FHVGMGOEMKVXEJ-HZSPNIEDSA-N 1 0 387.933 1.792 20 0 GDADRO CN1CCN(C(=O)NCCOc2ccc(Br)cc2)CC[N@H+](C)CC1 ZINC000892432432 658327046 /nfs/dbraw/zinc/32/70/46/658327046.db2.gz KHHDFANJKUCFKH-UHFFFAOYSA-N 1 0 399.333 1.717 20 0 GDADRO OCC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000439436489 646231512 /nfs/dbraw/zinc/23/15/12/646231512.db2.gz HPDGDNYLQGAJBD-OAHLLOKOSA-N 1 0 392.265 1.801 20 0 GDADRO CCC[N@@H+](CC(=O)NC)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439434595 646231626 /nfs/dbraw/zinc/23/16/26/646231626.db2.gz SRMOCWBLULDSIU-CYBMUJFWSA-N 1 0 377.254 1.786 20 0 GDADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439453018 646234546 /nfs/dbraw/zinc/23/45/46/646234546.db2.gz ONJYCUIPPIPQLC-JTNHKYCSSA-N 1 0 389.265 1.914 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000440510666 646246004 /nfs/dbraw/zinc/24/60/04/646246004.db2.gz XDXDVZTXQGMULX-RHSMWYFYSA-N 1 0 389.539 1.801 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000442152843 646262777 /nfs/dbraw/zinc/26/27/77/646262777.db2.gz SGAOXJJPCOWNSD-JQWIXIFHSA-N 1 0 384.274 1.995 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000442531761 646269009 /nfs/dbraw/zinc/26/90/09/646269009.db2.gz UQAKMWXCUYXTNP-GJZGRUSLSA-N 1 0 377.576 1.038 20 0 GDADRO COc1cc(Br)cc(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000917959381 660226103 /nfs/dbraw/zinc/22/61/03/660226103.db2.gz DBEAGGPAKLLFTB-AWEZNQCLSA-N 1 0 385.306 1.503 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC000917890590 660223835 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1.544 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000918947632 660243481 /nfs/dbraw/zinc/24/34/81/660243481.db2.gz OYJJNDBSFVAEKJ-CQSZACIVSA-N 1 0 382.404 1.662 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000918947976 660243490 /nfs/dbraw/zinc/24/34/90/660243490.db2.gz VGACMFAISRUKTP-AWEZNQCLSA-N 1 0 395.294 1.665 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000918960945 660243875 /nfs/dbraw/zinc/24/38/75/660243875.db2.gz BHRSYNHEPBWLHV-INIZCTEOSA-N 1 0 376.906 1.564 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000918963037 660244044 /nfs/dbraw/zinc/24/40/44/660244044.db2.gz QKEDWHMNHKMMAK-CQSZACIVSA-N 1 0 390.918 1.422 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000442773162 647163833 /nfs/dbraw/zinc/16/38/33/647163833.db2.gz WSAQWJDORRGKPY-NEPJUHHUSA-N 1 0 388.921 1.198 20 0 GDADRO O=S(=O)(CCc1cccs1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000443907128 647228336 /nfs/dbraw/zinc/22/83/36/647228336.db2.gz KHMXQJDQOCUXRR-GOSISDBHSA-N 1 0 380.535 1.847 20 0 GDADRO Cc1cnc(Cl)c(S(=O)(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000920265649 660268092 /nfs/dbraw/zinc/26/80/92/660268092.db2.gz HDQWVFCZIIUJQQ-GKLJAUDBSA-N 1 0 387.933 1.801 20 0 GDADRO O=C(CCn1cc(Br)ccc1=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000444253136 647247226 /nfs/dbraw/zinc/24/72/26/647247226.db2.gz XPTDIQADOQQQMV-UHFFFAOYSA-N 1 0 376.254 1.921 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000444310310 647249092 /nfs/dbraw/zinc/24/90/92/647249092.db2.gz GQIUJCPDHYXACX-YGRLFVJLSA-N 1 0 377.794 1.969 20 0 GDADRO CC1(C)CCC[N@H+](CCNC(=O)CSc2nnnn2CC(F)(F)F)C1 ZINC000444610695 647255161 /nfs/dbraw/zinc/25/51/61/647255161.db2.gz DRQNXXWGOQRTMB-UHFFFAOYSA-N 1 0 380.440 1.566 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)C[C@H]3CCC3(F)F)C2)[C@H]1C(C)C ZINC000920309234 660270057 /nfs/dbraw/zinc/27/00/57/660270057.db2.gz IRAGJHIWAJHQBX-QCODTGAPSA-N 1 0 380.501 1.821 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)c1 ZINC000445782698 647274231 /nfs/dbraw/zinc/27/42/31/647274231.db2.gz GDFVLKLEDRJVDM-DGCLKSJQSA-N 1 0 387.889 1.316 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(OC)c(S(N)(=O)=O)s1)CC(C)C ZINC000446908127 647296882 /nfs/dbraw/zinc/29/68/82/647296882.db2.gz JPIONGDDWKYYNH-LBPRGKRZSA-N 1 0 391.559 1.890 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000920462832 660271913 /nfs/dbraw/zinc/27/19/13/660271913.db2.gz WTUJQOFMFPQZET-KBPBESRZSA-N 1 0 382.496 1.949 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452382092 647321802 /nfs/dbraw/zinc/32/18/02/647321802.db2.gz XHIQYRIRBAGILH-AWEZNQCLSA-N 1 0 395.301 1.982 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452392782 647322847 /nfs/dbraw/zinc/32/28/47/647322847.db2.gz RSTJXYMUINKARO-OAHLLOKOSA-N 1 0 398.301 1.142 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000453810550 647338712 /nfs/dbraw/zinc/33/87/12/647338712.db2.gz YBBQPQZEMBUGMN-ZDUSSCGKSA-N 1 0 398.301 1.659 20 0 GDADRO Cn1cc(I)c(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000454636094 647359059 /nfs/dbraw/zinc/35/90/59/647359059.db2.gz FURPKFIMMCYZQF-VIFPVBQESA-N 1 0 389.241 1.061 20 0 GDADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C(F)(F)F ZINC000455435824 647378778 /nfs/dbraw/zinc/37/87/78/647378778.db2.gz XWVFZALAWLGUPC-NSHDSACASA-N 1 0 390.472 1.228 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000921175358 660283611 /nfs/dbraw/zinc/28/36/11/660283611.db2.gz XKKOUCDOOVGQLK-LSDHHAIUSA-N 1 0 388.921 1.405 20 0 GDADRO Cn1cc(Br)c(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)n1 ZINC000459017077 647454638 /nfs/dbraw/zinc/45/46/38/647454638.db2.gz KROKSDYZPANCFE-GFCCVEGCSA-N 1 0 388.310 1.435 20 0 GDADRO CCO/C=C/[C@](O)(CNC(=O)NC[C@]1([NH+](C)C)CCSC1)C(F)(F)F ZINC000921311118 660286236 /nfs/dbraw/zinc/28/62/36/660286236.db2.gz KZBMFNFIXZQIPF-UMGRQFOVSA-N 1 0 385.452 1.567 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)N2CCn3nc(C(F)(F)F)cc3C2)CCSC1 ZINC000921312385 660286241 /nfs/dbraw/zinc/28/62/41/660286241.db2.gz ZSMVOPZXOIPPCM-CQSZACIVSA-N 1 0 377.436 1.864 20 0 GDADRO Cc1cc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1Br ZINC000459161915 647458518 /nfs/dbraw/zinc/45/85/18/647458518.db2.gz AJPWVOPYLCUIKU-HNNXBMFYSA-N 1 0 397.317 1.897 20 0 GDADRO CCOc1c(Br)cc(C[NH2+]C[C@H](O)Cn2ccnn2)cc1OC ZINC000459697292 647464376 /nfs/dbraw/zinc/46/43/76/647464376.db2.gz MFNKTQIMJRICKS-LBPRGKRZSA-N 1 0 385.262 1.599 20 0 GDADRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O ZINC000461720758 647500317 /nfs/dbraw/zinc/50/03/17/647500317.db2.gz ATJGPJZHEVSBLS-ZDUSSCGKSA-N 1 0 391.559 1.660 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000461893961 647502771 /nfs/dbraw/zinc/50/27/71/647502771.db2.gz JHEGJARRBKTWMB-CYBMUJFWSA-N 1 0 376.320 1.873 20 0 GDADRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000462263708 647517795 /nfs/dbraw/zinc/51/77/95/647517795.db2.gz ZEMVVNYSKOWBBX-UHFFFAOYSA-N 1 0 393.506 1.207 20 0 GDADRO NS(=O)(=O)c1ccc(NCC2CC[NH+](CCO)CC2)c(C(F)(F)F)c1 ZINC000462820649 647544590 /nfs/dbraw/zinc/54/45/90/647544590.db2.gz OSNKPRDKKRQHAR-UHFFFAOYSA-N 1 0 381.420 1.469 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000466075506 647605882 /nfs/dbraw/zinc/60/58/82/647605882.db2.gz HAPDDGRXTNJTSL-UHFFFAOYSA-N 1 0 377.551 1.342 20 0 GDADRO C[NH+](C)CC1(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)CCC1 ZINC000466590856 647614741 /nfs/dbraw/zinc/61/47/41/647614741.db2.gz WPELDIWPYFEGTF-UHFFFAOYSA-N 1 0 379.262 1.639 20 0 GDADRO C[NH+](C)CC[C@@H](NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1cccnc1 ZINC000921478635 660303794 /nfs/dbraw/zinc/30/37/94/660303794.db2.gz OOMVYLIRUSAWCM-FATZIPQQSA-N 1 0 376.548 1.805 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)s1 ZINC000467961833 647656119 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COCCN(Cc1sccc1Br)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000572117952 651090887 /nfs/dbraw/zinc/09/08/87/651090887.db2.gz OVSKRVUDGSVTFG-LLVKDONJSA-N 1 0 377.304 1.864 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000572259300 651093211 /nfs/dbraw/zinc/09/32/11/651093211.db2.gz BXZJYXCGWCRRLS-UHFFFAOYSA-N 1 0 386.221 1.036 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000572365470 651095132 /nfs/dbraw/zinc/09/51/32/651095132.db2.gz TXAXIVNGUDXWRA-GWCFXTLKSA-N 1 0 375.288 1.337 20 0 GDADRO O=c1ccc(Br)cn1CC[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000572394692 651095856 /nfs/dbraw/zinc/09/58/56/651095856.db2.gz POJVMSMIQJIOKJ-OAHLLOKOSA-N 1 0 399.260 1.917 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000572475496 651098147 /nfs/dbraw/zinc/09/81/47/651098147.db2.gz GLDPJXJNQCXLFD-INIZCTEOSA-N 1 0 390.933 1.621 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000572602598 651099976 /nfs/dbraw/zinc/09/99/76/651099976.db2.gz 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GDADRO Cc1nnc2n1C[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)CC2 ZINC000574067702 651513924 /nfs/dbraw/zinc/51/39/24/651513924.db2.gz DVHUNDGCPYMUKO-DZGCQCFKSA-N 1 0 395.301 1.941 20 0 GDADRO C[C@@H](CNS(=O)(=O)C[C@H](C)COC1CCCC1)CN1CC[NH+](C)CC1 ZINC000574078467 651514961 /nfs/dbraw/zinc/51/49/61/651514961.db2.gz LJVDGVNIUXZFOW-DLBZAZTESA-N 1 0 375.579 1.385 20 0 GDADRO C[NH2+]CC1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000574156429 651519712 /nfs/dbraw/zinc/51/97/12/651519712.db2.gz WXLHYCKSWAGWJD-UHFFFAOYSA-N 1 0 382.258 1.852 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(Cc3nc(-c4cccc(Br)c4)c[nH]3)CCN2C1=O ZINC000574171652 651520864 /nfs/dbraw/zinc/52/08/64/651520864.db2.gz YNDHAZURWPFUBV-ZIAGYGMSSA-N 1 0 390.285 1.583 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000574212680 651523359 /nfs/dbraw/zinc/52/33/59/651523359.db2.gz OVUICOCSHBQQPF-OAHLLOKOSA-N 1 0 376.567 1.562 20 0 GDADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000574385909 651537337 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C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000575803376 651604324 /nfs/dbraw/zinc/60/43/24/651604324.db2.gz LCAIBAFKAGVITM-HOTUBEGUSA-N 1 0 386.315 1.954 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000575995355 651616649 /nfs/dbraw/zinc/61/66/49/651616649.db2.gz MAVWOUUTSFTAOP-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO COC(=O)C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccc(Br)cc1 ZINC000576003906 651617221 /nfs/dbraw/zinc/61/72/21/651617221.db2.gz HYVMIGXLDHQAMV-GFCCVEGCSA-N 1 0 396.245 1.034 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2Br)C1 ZINC000576022888 651619342 /nfs/dbraw/zinc/61/93/42/651619342.db2.gz ZZRDWTHIDUNQMS-CYBMUJFWSA-N 1 0 376.320 1.810 20 0 GDADRO C[C@@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H](C)C[N@@H+]1CCO ZINC000576570058 651671902 /nfs/dbraw/zinc/67/19/02/651671902.db2.gz UOXZMRHTUHPENJ-OLZOCXBDSA-N 1 0 395.301 1.344 20 0 GDADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)C[C@@H](C)C1 ZINC000576619648 651677036 /nfs/dbraw/zinc/67/70/36/651677036.db2.gz BJRLWMQLKVHQRW-OBJOEFQTSA-N 1 0 386.543 1.267 20 0 GDADRO Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1Br ZINC000576649690 651680143 /nfs/dbraw/zinc/68/01/43/651680143.db2.gz GDGLFTRGAYQEQC-CHWSQXEVSA-N 1 0 381.274 1.211 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576958483 651696483 /nfs/dbraw/zinc/69/64/83/651696483.db2.gz LCMHPSWOUDENII-SKDRFNHKSA-N 1 0 385.237 1.672 20 0 GDADRO O=C(CC[NH2+]CCNS(=O)(=O)Cc1ccon1)Nc1ccc(Cl)cc1 ZINC000576979287 651698541 /nfs/dbraw/zinc/69/85/41/651698541.db2.gz FBAZSISQZWPYRP-UHFFFAOYSA-N 1 0 386.861 1.366 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000576990459 651699741 /nfs/dbraw/zinc/69/97/41/651699741.db2.gz RKJZKTSTMJFCCL-RKDXNWHRSA-N 1 0 378.292 1.165 20 0 GDADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000577166094 651712103 /nfs/dbraw/zinc/71/21/03/651712103.db2.gz RKLSYLKPCAEFRK-WBMJQRKESA-N 1 0 382.511 1.598 20 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389.543 1.523 20 0 GDADRO C[NH+](C)CCn1nccc1NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000578904728 651824117 /nfs/dbraw/zinc/82/41/17/651824117.db2.gz XBXBRPIYIZAYNK-UHFFFAOYSA-N 1 0 394.273 1.576 20 0 GDADRO O=C(CCOC1C[NH2+]C1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000578995664 651830425 /nfs/dbraw/zinc/83/04/25/651830425.db2.gz VPGDKIMCBLGXQG-UHFFFAOYSA-N 1 0 384.274 1.064 20 0 GDADRO C[S@](=O)C1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000578996210 651831205 /nfs/dbraw/zinc/83/12/05/651831205.db2.gz IGOUSKQXOQQWIE-IBGZPJMESA-N 1 0 380.329 1.724 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000579107613 651838716 /nfs/dbraw/zinc/83/87/16/651838716.db2.gz QCCKEFCRYLNBKE-HUBLWGQQSA-N 1 0 398.276 1.819 20 0 GDADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)NCc2n[nH]cc2Br)CC1 ZINC000579215146 651841307 /nfs/dbraw/zinc/84/13/07/651841307.db2.gz NIHWFNRPPQOAQM-TZMCWYRMSA-N 1 0 386.294 1.600 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000579217115 651841333 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/nfs/dbraw/zinc/07/21/46/653072146.db2.gz XGUTWIUPZLBKDC-CYBMUJFWSA-N 1 0 378.885 1.967 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627339395 653072802 /nfs/dbraw/zinc/07/28/02/653072802.db2.gz HDGJZLPZZYXORX-GWCFXTLKSA-N 1 0 384.274 1.331 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000627337918 653072839 /nfs/dbraw/zinc/07/28/39/653072839.db2.gz PZOFHDXIVRCLKW-OAHLLOKOSA-N 1 0 382.302 1.564 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000627342975 653072854 /nfs/dbraw/zinc/07/28/54/653072854.db2.gz UWOZXYRHZDNZFC-AXTRIDKLSA-N 1 0 384.299 1.579 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000627346476 653072927 /nfs/dbraw/zinc/07/29/27/653072927.db2.gz RXAJLKOURMLKEG-LSDHHAIUSA-N 1 0 382.302 1.939 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000627346286 653072997 /nfs/dbraw/zinc/07/29/97/653072997.db2.gz LJOUJJSRGMSZPF-LBPRGKRZSA-N 1 0 390.311 1.735 20 0 GDADRO CC(C)(CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000627353129 653073392 /nfs/dbraw/zinc/07/33/92/653073392.db2.gz SEJMGRATBMESTM-GFCCVEGCSA-N 1 0 388.295 1.492 20 0 GDADRO Cc1nc(C)c(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000627355085 653073535 /nfs/dbraw/zinc/07/35/35/653073535.db2.gz XJUAKMJDQYBFQY-QWRGUYRKSA-N 1 0 378.420 1.362 20 0 GDADRO Cc1nc(C)c(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000627355083 653073561 /nfs/dbraw/zinc/07/35/61/653073561.db2.gz XJUAKMJDQYBFQY-GHMZBOCLSA-N 1 0 378.420 1.362 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)c1c(Cl)cccc1Cl ZINC000627365874 653073760 /nfs/dbraw/zinc/07/37/60/653073760.db2.gz BBMLQRITJIRWAZ-NSHDSACASA-N 1 0 388.295 1.837 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)Oc1ccccc1Br ZINC000627375005 653073992 /nfs/dbraw/zinc/07/39/92/653073992.db2.gz JJZZOHHQCGNWDW-AGIUHOORSA-N 1 0 398.301 1.589 20 0 GDADRO CCc1ccc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000627378207 653074317 /nfs/dbraw/zinc/07/43/17/653074317.db2.gz GIQYTLZDZWFEKH-GWCFXTLKSA-N 1 0 377.432 1.912 20 0 GDADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627402222 653074409 /nfs/dbraw/zinc/07/44/09/653074409.db2.gz XXCUSZFBUQFRFU-OSAQELSMSA-N 1 0 380.286 1.632 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000627500348 653076321 /nfs/dbraw/zinc/07/63/21/653076321.db2.gz YFAIAZGCWVCPDM-NILFDRSVSA-N 1 0 396.285 1.216 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cccnc3-n3cc(Br)cn3)C[C@H]21 ZINC000627655756 653077198 /nfs/dbraw/zinc/07/71/98/653077198.db2.gz GPCGXBQCLPFIJZ-WDNDVIMCSA-N 1 0 376.258 1.662 20 0 GDADRO COc1ncc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)c(C)c1Br ZINC000628028322 653086214 /nfs/dbraw/zinc/08/62/14/653086214.db2.gz GFDWWEIOCDSYIH-JTQLQIEISA-N 1 0 385.262 1.310 20 0 GDADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000628104334 653089774 /nfs/dbraw/zinc/08/97/74/653089774.db2.gz OJPCNLQMKDUMGM-LBPRGKRZSA-N 1 0 385.917 1.962 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000628104722 653089850 /nfs/dbraw/zinc/08/98/50/653089850.db2.gz BVYYCAJFNJTOOY-ZDUSSCGKSA-N 1 0 384.274 1.133 20 0 GDADRO O=C(NC[C@H]1CCCN(Cc2ccncc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000629516425 653168252 /nfs/dbraw/zinc/16/82/52/653168252.db2.gz FIPKYCAXVUGZOP-CZUORRHYSA-N 1 0 381.318 1.924 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000629787278 653182374 /nfs/dbraw/zinc/18/23/74/653182374.db2.gz BPHGMXZACZNIAS-UHFFFAOYSA-N 1 0 386.265 1.886 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000629792203 653182607 /nfs/dbraw/zinc/18/26/07/653182607.db2.gz IEKVCUBUFMLGTM-UHFFFAOYSA-N 1 0 392.319 1.163 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCS1 ZINC000629803170 653183323 /nfs/dbraw/zinc/18/33/23/653183323.db2.gz QZUJXLSGGOXIPV-XQQFMLRXSA-N 1 0 381.464 1.572 20 0 GDADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629912117 653192312 /nfs/dbraw/zinc/19/23/12/653192312.db2.gz KPRNUKUTCCDOHL-ZDUSSCGKSA-N 1 0 380.286 1.964 20 0 GDADRO C[NH2+]C1(CNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CCC1 ZINC000630001807 653196095 /nfs/dbraw/zinc/19/60/95/653196095.db2.gz NMPOZDAHPNCGRY-UHFFFAOYSA-N 1 0 375.288 1.725 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000630398552 653208263 /nfs/dbraw/zinc/20/82/63/653208263.db2.gz AXJRIOLFHFGPRX-KGLIPLIRSA-N 1 0 388.559 1.322 20 0 GDADRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631167881 653230702 /nfs/dbraw/zinc/23/07/02/653230702.db2.gz DCXKQDJROXSWDI-CQSZACIVSA-N 1 0 381.885 1.853 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000631199897 653231191 /nfs/dbraw/zinc/23/11/91/653231191.db2.gz GPGIISKZJCVJNQ-CVEARBPZSA-N 1 0 383.286 1.711 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000631903745 653265505 /nfs/dbraw/zinc/26/55/05/653265505.db2.gz SUVJSHUWRZUOSE-SNVBAGLBSA-N 1 0 388.291 1.078 20 0 GDADRO O=S(=O)(N[C@@H]1CC[NH2+]C1)c1cc(Br)cc(Br)c1 ZINC000631901818 653265547 /nfs/dbraw/zinc/26/55/47/653265547.db2.gz PGADCYCNEYHLER-SECBINFHSA-N 1 0 384.093 1.852 20 0 GDADRO C[C@@H](c1ccccc1Cl)N1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631911414 653267620 /nfs/dbraw/zinc/26/76/20/653267620.db2.gz FEMXBJCNIQDEFD-GJZGRUSLSA-N 1 0 387.933 1.337 20 0 GDADRO CCOc1cc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)ccc1OC(F)F ZINC000631914669 653268440 /nfs/dbraw/zinc/26/84/40/653268440.db2.gz ZFMHIQORIPSLGL-LBPRGKRZSA-N 1 0 380.413 1.095 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000631914747 653268833 /nfs/dbraw/zinc/26/88/33/653268833.db2.gz WNEFYRSLYVJADJ-LSDHHAIUSA-N 1 0 389.315 1.904 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCc2c(Br)cccc2C1 ZINC000631917951 653270379 /nfs/dbraw/zinc/27/03/79/653270379.db2.gz XTEAPQOJWKQNGS-GFCCVEGCSA-N 1 0 375.288 1.125 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCc2c1cccc2Br ZINC000631917846 653270424 /nfs/dbraw/zinc/27/04/24/653270424.db2.gz PRWHDGJHTUWNPD-HZMBPMFUSA-N 1 0 375.288 1.344 20 0 GDADRO COc1cc(CN(C)S(=O)(=O)C[C@H]2C[NH2+]CCO2)c(SC)cc1OC ZINC000631922896 653271467 /nfs/dbraw/zinc/27/14/67/653271467.db2.gz HBSKLHHBVJCKMC-CYBMUJFWSA-N 1 0 390.527 1.176 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000631927006 653272444 /nfs/dbraw/zinc/27/24/44/653272444.db2.gz NBDJGDNMZRNYLB-SNVBAGLBSA-N 1 0 380.333 1.809 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631927409 653272932 /nfs/dbraw/zinc/27/29/32/653272932.db2.gz XZMZKKDNMYCPDH-JQWIXIFHSA-N 1 0 395.294 1.427 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000631935349 653274310 /nfs/dbraw/zinc/27/43/10/653274310.db2.gz UNZPTMXQMXIFDR-LLVKDONJSA-N 1 0 388.291 1.221 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000631949248 653277292 /nfs/dbraw/zinc/27/72/92/653277292.db2.gz YGJINVQKZIBCKB-KCJUWKMLSA-N 1 0 388.291 1.301 20 0 GDADRO CN(Cc1ccc(Br)cc1F)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631962050 653279844 /nfs/dbraw/zinc/27/98/44/653279844.db2.gz CLARALCLSLQSRT-GFCCVEGCSA-N 1 0 381.267 1.338 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(S(=O)(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC000631963072 653279903 /nfs/dbraw/zinc/27/99/03/653279903.db2.gz UPXWIJNJOURIGY-ZDUSSCGKSA-N 1 0 389.315 1.434 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631971570 653282292 /nfs/dbraw/zinc/28/22/92/653282292.db2.gz NUSDKFVVNCQMNB-BETUJISGSA-N 1 0 378.903 1.010 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000631973435 653282613 /nfs/dbraw/zinc/28/26/13/653282613.db2.gz IOSONVBKLLBIIV-BDAKNGLRSA-N 1 0 377.260 1.331 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000631974464 653282954 /nfs/dbraw/zinc/28/29/54/653282954.db2.gz SIYRTCXUBHTVEW-AOOOYVTPSA-N 1 0 391.287 1.591 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631993372 653286534 /nfs/dbraw/zinc/28/65/34/653286534.db2.gz PVZLSOCHDGXHDB-YOEHRIQHSA-N 1 0 386.539 1.633 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000632030892 653292707 /nfs/dbraw/zinc/29/27/07/653292707.db2.gz AYJXXTWOTQSFPP-VIFPVBQESA-N 1 0 390.307 1.419 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000632227568 653320116 /nfs/dbraw/zinc/32/01/16/653320116.db2.gz BIBVWVJDIRWMKT-LBPRGKRZSA-N 1 0 384.527 1.306 20 0 GDADRO CN(CCn1cc(Br)cn1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632341476 653341626 /nfs/dbraw/zinc/34/16/26/653341626.db2.gz KXZKYFKYYCPSPT-UHFFFAOYSA-N 1 0 379.324 1.393 20 0 GDADRO C[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000632364137 653345930 /nfs/dbraw/zinc/34/59/30/653345930.db2.gz JSHVUSKCGHOBOK-NSHDSACASA-N 1 0 377.308 1.705 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000632690502 653400536 /nfs/dbraw/zinc/40/05/36/653400536.db2.gz VFAYMWVSZKCBIL-SWLSCSKDSA-N 1 0 398.276 1.709 20 0 GDADRO O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000632722474 653404424 /nfs/dbraw/zinc/40/44/24/653404424.db2.gz NBZRSXSAXJEJRI-UHFFFAOYSA-N 1 0 375.376 1.725 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc2cncc(Br)c2n1 ZINC000632890406 653413361 /nfs/dbraw/zinc/41/33/61/653413361.db2.gz IQTAELDJDGTELW-ZDUSSCGKSA-N 1 0 390.285 1.512 20 0 GDADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632905395 653414333 /nfs/dbraw/zinc/41/43/33/653414333.db2.gz XOIKPPOXRQRWHU-STQMWFEESA-N 1 0 381.274 1.864 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N(CC(F)F)C2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000632905186 653414369 /nfs/dbraw/zinc/41/43/69/653414369.db2.gz SVPDXXCFQXVIDS-UONOGXRCSA-N 1 0 381.489 1.234 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@H]1C[NH3+] ZINC000633021435 653420090 /nfs/dbraw/zinc/42/00/90/653420090.db2.gz FVJAKTAZWKKANN-MWLCHTKSSA-N 1 0 381.274 1.713 20 0 GDADRO O=C(Nc1ccc(Br)c2cccnc12)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633031886 653422085 /nfs/dbraw/zinc/42/20/85/653422085.db2.gz RYGNZUGEWVPHOW-PHIMTYICSA-N 1 0 389.253 1.899 20 0 GDADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633030280 653422193 /nfs/dbraw/zinc/42/21/93/653422193.db2.gz RFDGQGZWWMJVDS-RYUDHWBXSA-N 1 0 382.258 1.748 20 0 GDADRO Cn1cc(C[C@@H](CO)C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)cn1 ZINC000634722331 653497267 /nfs/dbraw/zinc/49/72/67/653497267.db2.gz NJVSDSQEECAAJX-CZUORRHYSA-N 1 0 388.295 1.907 20 0 GDADRO O=C(CN1CCN(CC23CC(C2)C[NH2+]3)CC1)Nc1ccc(Br)cc1 ZINC000634994783 653503867 /nfs/dbraw/zinc/50/38/67/653503867.db2.gz MRHIKRREOCSUNU-UHFFFAOYSA-N 1 0 393.329 1.757 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635471561 653518899 /nfs/dbraw/zinc/51/88/99/653518899.db2.gz JGIFNUYHLJGPHL-MCIONIFRSA-N 1 0 384.464 1.980 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C[C@H]2CC[N@H+](C)C2)s1 ZINC000635501935 653520233 /nfs/dbraw/zinc/52/02/33/653520233.db2.gz VEOMOACFQCGNHU-CQSZACIVSA-N 1 0 387.571 1.779 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637473217 653529273 /nfs/dbraw/zinc/52/92/73/653529273.db2.gz JLNIOIZTWDJHBM-UONOGXRCSA-N 1 0 389.283 1.492 20 0 GDADRO CS(=O)(=O)N1CCC(NC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000637899904 653531786 /nfs/dbraw/zinc/53/17/86/653531786.db2.gz NTFMJXUMQPLSLO-ZDUSSCGKSA-N 1 0 379.404 1.245 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)s1 ZINC000637900228 653531909 /nfs/dbraw/zinc/53/19/09/653531909.db2.gz ZCPIZXDKZXVGBX-BLLLJJGKSA-N 1 0 389.543 1.162 20 0 GDADRO [NH3+]C[C@@]1(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CCCOC1 ZINC000637959889 653533181 /nfs/dbraw/zinc/53/31/81/653533181.db2.gz KHIHXGWRXYZBAS-INIZCTEOSA-N 1 0 385.258 1.592 20 0 GDADRO [NH3+][C@H](C(=O)NCCCN1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000637969419 653533788 /nfs/dbraw/zinc/53/37/88/653533788.db2.gz ZTNFWOWUPVAQLI-ZDUSSCGKSA-N 1 0 379.404 1.247 20 0 GDADRO C[C@]1(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)C[NH2+]CCO1 ZINC000638052400 653535025 /nfs/dbraw/zinc/53/50/25/653535025.db2.gz HPIZHRLXEBVRAL-OAHLLOKOSA-N 1 0 388.331 1.533 20 0 GDADRO CN(Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000638114593 653536812 /nfs/dbraw/zinc/53/68/12/653536812.db2.gz AMBPFSUWBHBBDG-ZFWWWQNUSA-N 1 0 394.946 1.775 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638337590 653538500 /nfs/dbraw/zinc/53/85/00/653538500.db2.gz HYCZZXSUWSQSDA-CABCVRRESA-N 1 0 396.285 1.045 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1scc(Br)c1Br ZINC000638337393 653538515 /nfs/dbraw/zinc/53/85/15/653538515.db2.gz FVECQRYHLWAEBN-LURJTMIESA-N 1 0 384.093 1.991 20 0 GDADRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638359794 653538770 /nfs/dbraw/zinc/53/87/70/653538770.db2.gz RTWOKVJBDVSIKU-ZDUSSCGKSA-N 1 0 399.314 1.997 20 0 GDADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC1([NH3+])CCOCC1 ZINC000638538068 653539198 /nfs/dbraw/zinc/53/91/98/653539198.db2.gz ZCTGTOXCRVIVKK-JTQLQIEISA-N 1 0 375.238 1.980 20 0 GDADRO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638548986 653539384 /nfs/dbraw/zinc/53/93/84/653539384.db2.gz MLMASGMIDSFRLZ-GRYCIOLGSA-N 1 0 381.464 1.920 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638549288 653539563 /nfs/dbraw/zinc/53/95/63/653539563.db2.gz HEXICDQRRWQOKZ-DCAQKATOSA-N 1 0 399.460 1.401 20 0 GDADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000638553620 653539708 /nfs/dbraw/zinc/53/97/08/653539708.db2.gz SSQOSEJIOOKZNM-RWMBFGLXSA-N 1 0 385.452 1.034 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)CC[C@H]1C(F)(F)F ZINC000638558326 653539946 /nfs/dbraw/zinc/53/99/46/653539946.db2.gz OWQBQFTZYIFTEN-GHMZBOCLSA-N 1 0 399.460 1.402 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000638562423 653540074 /nfs/dbraw/zinc/54/00/74/653540074.db2.gz ZZJFOXMVXIKUTP-GFCCVEGCSA-N 1 0 395.261 1.126 20 0 GDADRO CO[C@@H](C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)CC(C)C ZINC000638564787 653540359 /nfs/dbraw/zinc/54/03/59/653540359.db2.gz WRTVIENGFSSOSD-CQSZACIVSA-N 1 0 376.544 1.920 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000638582127 653540738 /nfs/dbraw/zinc/54/07/38/653540738.db2.gz SQKKOGSHRUQVAK-GFCCVEGCSA-N 1 0 384.274 1.154 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C[NH2+]1 ZINC000638651685 653542053 /nfs/dbraw/zinc/54/20/53/653542053.db2.gz OVYGMTPKCXCNAS-GHMZBOCLSA-N 1 0 379.404 1.240 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C[NH2+]1 ZINC000638654954 653542123 /nfs/dbraw/zinc/54/21/23/653542123.db2.gz NUMBRYUNFODLGZ-UONOGXRCSA-N 1 0 385.555 1.722 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)s1 ZINC000638814068 653544003 /nfs/dbraw/zinc/54/40/03/653544003.db2.gz SXNBBFASLLMGBC-CQSZACIVSA-N 1 0 379.507 1.534 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](CO)CC(F)(F)F)cc1Br ZINC000638827828 653544376 /nfs/dbraw/zinc/54/43/76/653544376.db2.gz IPPUPLITGWKHGA-QMMMGPOBSA-N 1 0 391.209 1.499 20 0 GDADRO CO[C@@H](C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C)[C@H]1CCOC1 ZINC000639165291 653547698 /nfs/dbraw/zinc/54/76/98/653547698.db2.gz FZIQHSDRJJQTJK-ZFWWWQNUSA-N 1 0 376.906 1.568 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(Cc2nnnn2-c2ccccc2Br)C1 ZINC000639761093 653552726 /nfs/dbraw/zinc/55/27/26/653552726.db2.gz GEYZOJWANQSQHD-INIZCTEOSA-N 1 0 395.305 1.313 20 0 GDADRO COc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)ncc1Br ZINC000639963311 653555347 /nfs/dbraw/zinc/55/53/47/653555347.db2.gz YNTXRNPHDKMIQD-LLVKDONJSA-N 1 0 387.278 1.821 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640383670 653559291 /nfs/dbraw/zinc/55/92/91/653559291.db2.gz NMSNKZCGVGMOSF-UHFFFAOYSA-N 1 0 391.366 2.282 20 0 GDADRO [NH3+][C@H](c1cn(Cc2cn3cc(Br)ccc3n2)nn1)[C@@H]1CCCO1 ZINC000640958960 653561313 /nfs/dbraw/zinc/56/13/13/653561313.db2.gz RUCXHXTXJINGPG-DZGCQCFKSA-N 1 0 377.246 1.915 20 0 GDADRO [NH3+][C@@H](c1cn(Cc2cc3c(c(Br)c2)OCO3)nn1)[C@@H]1CCCO1 ZINC000640986743 653561922 /nfs/dbraw/zinc/56/19/22/653561922.db2.gz IIODBQILFCZESY-JSGCOSHPSA-N 1 0 381.230 1.996 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)N[C@@H]1CCC[NH2+]CC1 ZINC000641023549 653562544 /nfs/dbraw/zinc/56/25/44/653562544.db2.gz FVFZYVFLRIYQBF-CHWSQXEVSA-N 1 0 386.290 1.630 20 0 GDADRO CN(CCC[NH3+])Cc1cn(C[C@H](O)COc2cc(Cl)ccc2Cl)nn1 ZINC000641199709 653562711 /nfs/dbraw/zinc/56/27/11/653562711.db2.gz BUTWDQOHJDXZPP-AWEZNQCLSA-N 1 0 388.299 1.805 20 0 GDADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641354097 653565741 /nfs/dbraw/zinc/56/57/41/653565741.db2.gz LTZSTRSMWDCLEZ-SECBINFHSA-N 1 0 376.280 1.110 20 0 GDADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cnn3cc(Br)cnc23)CC[N@@H+]1C ZINC000641356047 653565832 /nfs/dbraw/zinc/56/58/32/653565832.db2.gz VODHWGSZRLSHKJ-MWLCHTKSSA-N 1 0 388.291 1.253 20 0 GDADRO CN1CCN(S(=O)(=O)c2cnn3cc(Br)cnc23)CC1(C)C ZINC000641592569 653572133 /nfs/dbraw/zinc/57/21/33/653572133.db2.gz FBTRNFDQOAAFAQ-UHFFFAOYSA-N 1 0 388.291 1.207 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cc(Br)co1 ZINC000641672158 653575044 /nfs/dbraw/zinc/57/50/44/653575044.db2.gz PPFRKOYVJMPPTJ-AWEZNQCLSA-N 1 0 386.290 1.569 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000642119480 653577266 /nfs/dbraw/zinc/57/72/66/653577266.db2.gz ULHVXDUQYVROCR-ZDUSSCGKSA-N 1 0 395.301 1.012 20 0 GDADRO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000642355291 653578278 /nfs/dbraw/zinc/57/82/78/653578278.db2.gz YOIWJUVPZLVEIU-NXEZZACHSA-N 1 0 378.420 1.796 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2cc(C)ccc2Br)CC[C@@H]1[NH3+] ZINC000642373582 653578326 /nfs/dbraw/zinc/57/83/26/653578326.db2.gz IIOIBYCWRKOBDX-WFASDCNBSA-N 1 0 382.302 1.960 20 0 GDADRO COCC(=O)NC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000642625858 653578802 /nfs/dbraw/zinc/57/88/02/653578802.db2.gz LEWKYXAYDRQFDK-CYBMUJFWSA-N 1 0 391.295 1.960 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000642780809 653579239 /nfs/dbraw/zinc/57/92/39/653579239.db2.gz UHMUMHUQLFLOGE-IMSYWVGJSA-N 1 0 377.329 1.723 20 0 GDADRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000643345520 653581671 /nfs/dbraw/zinc/58/16/71/653581671.db2.gz PMPIHJAVMQLNEE-CYBMUJFWSA-N 1 0 375.922 1.576 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)CCO1 ZINC000643508953 653583206 /nfs/dbraw/zinc/58/32/06/653583206.db2.gz VSVXNWPDIYHVNA-WFASDCNBSA-N 1 0 398.301 1.025 20 0 GDADRO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CCc2c(Br)cccc2C1 ZINC000643503923 653583241 /nfs/dbraw/zinc/58/32/41/653583241.db2.gz DSARSSPZBVQNEZ-WBMJQRKESA-N 1 0 392.297 1.544 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643542853 653583542 /nfs/dbraw/zinc/58/35/42/653583542.db2.gz POQBDZQIARKMHD-IUODEOHRSA-N 1 0 398.276 1.757 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000643603446 653583756 /nfs/dbraw/zinc/58/37/56/653583756.db2.gz BOSNUVIQOIXGRQ-CQSZACIVSA-N 1 0 386.901 1.531 20 0 GDADRO O=C(CNC(=O)[C@H]1C[NH2+]CCC1(F)F)Nc1ccc(Br)cc1 ZINC000643989072 653593655 /nfs/dbraw/zinc/59/36/55/653593655.db2.gz WJLSMDQGCUPZMA-LLVKDONJSA-N 1 0 376.201 1.749 20 0 GDADRO C[C@H](C(=O)N1CC[NH2+]CC1(C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000644075962 653595254 /nfs/dbraw/zinc/59/52/54/653595254.db2.gz SIAUTTCNTUGLKY-SNVBAGLBSA-N 1 0 394.269 1.644 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H]3CCCC[NH2+]3)C2)s1 ZINC000644081112 653595402 /nfs/dbraw/zinc/59/54/02/653595402.db2.gz LXZQDYNXGTXEIC-HUUCEWRRSA-N 1 0 385.555 1.716 20 0 GDADRO [NH3+]CC1(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCCC1 ZINC000644150892 653596019 /nfs/dbraw/zinc/59/60/19/653596019.db2.gz YAIIRABLECRFJL-UHFFFAOYSA-N 1 0 377.869 1.393 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1OC ZINC000644301055 653597481 /nfs/dbraw/zinc/59/74/81/653597481.db2.gz RGOZSTYBWFSORD-GXFFZTMASA-N 1 0 387.889 1.033 20 0 GDADRO NS(=O)(=O)Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)c1 ZINC000644540446 653599214 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CO[C@@H](CS(=O)(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C1CCOCC1 ZINC000645469664 653603017 /nfs/dbraw/zinc/60/30/17/653603017.db2.gz QETWEVVFMDRGKU-ROUUACIJSA-N 1 0 376.563 1.858 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cnc(OC)c(Cl)c1 ZINC000645520338 653603636 /nfs/dbraw/zinc/60/36/36/653603636.db2.gz BLACKOCHTLELCV-UHFFFAOYSA-N 1 0 379.910 1.723 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CCC[C@H]2CCOC2)[C@@H](C)C1 ZINC000645542518 653603833 /nfs/dbraw/zinc/60/38/33/653603833.db2.gz NEDQDSWTXIPXFD-BZSNNMDCSA-N 1 0 376.563 1.860 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cnc(OC)c(Cl)c2)CC1 ZINC000645565800 653604173 /nfs/dbraw/zinc/60/41/73/653604173.db2.gz VRJOMYTWTHLEFG-CYBMUJFWSA-N 1 0 390.937 1.296 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000645667934 653605578 /nfs/dbraw/zinc/60/55/78/653605578.db2.gz SAIBLVLVYRIHQB-GFCCVEGCSA-N 1 0 380.436 1.405 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1nnc(SCc2cccs2)s1 ZINC000645681207 653605663 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Cc1[nH]c(=O)c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1Br ZINC000649072011 653663308 /nfs/dbraw/zinc/66/33/08/653663308.db2.gz WVLDJKAMRWANTA-SNVBAGLBSA-N 1 0 385.262 1.050 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(F)c(F)cc1Br ZINC000649073536 653663547 /nfs/dbraw/zinc/66/35/47/653663547.db2.gz ZOYZSONYSHPEAV-VIFPVBQESA-N 1 0 390.228 1.919 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649299472 653666657 /nfs/dbraw/zinc/66/66/57/653666657.db2.gz YMLFYRYRBVENRD-BNOWGMLFSA-N 1 0 393.285 1.772 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000649422137 653667195 /nfs/dbraw/zinc/66/71/95/653667195.db2.gz COWWHKHUJORIHD-UHFFFAOYSA-N 1 0 385.839 1.885 20 0 GDADRO C[NH+](C)CCN1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1=O ZINC000649685784 653671729 /nfs/dbraw/zinc/67/17/29/653671729.db2.gz MADDQJWWMGZSRI-UHFFFAOYSA-N 1 0 380.290 1.531 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)COc2ccc(Br)cc2)CC1=O ZINC000650300706 653690318 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ZINC000651187758 653814240 /nfs/dbraw/zinc/81/42/40/653814240.db2.gz SKYNIFLSCAPJSM-UHFFFAOYSA-N 1 0 396.314 1.982 20 0 GDADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000651768774 653854803 /nfs/dbraw/zinc/85/48/03/653854803.db2.gz BRZNFPNAEQOFBA-UHFFFAOYSA-N 1 0 380.507 1.485 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000651792240 653856807 /nfs/dbraw/zinc/85/68/07/653856807.db2.gz KOWPGUWRUDYYHC-UHFFFAOYSA-N 1 0 380.297 1.388 20 0 GDADRO COc1cc(Br)c(CN2CCN(CC[NH+](C)C)C(=O)C2)cc1O ZINC000651891060 653867474 /nfs/dbraw/zinc/86/74/74/653867474.db2.gz FIZPIDQBTAUEAJ-UHFFFAOYSA-N 1 0 386.290 1.369 20 0 GDADRO [NH3+]CC1(CCNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000652184109 653884095 /nfs/dbraw/zinc/88/40/95/653884095.db2.gz WXVOWGIBPCJJQS-AWEZNQCLSA-N 1 0 395.301 1.983 20 0 GDADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)CC1 ZINC000652373757 653889637 /nfs/dbraw/zinc/88/96/37/653889637.db2.gz VMKFUSWFYBQPRL-LBPRGKRZSA-N 1 0 389.543 1.334 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000652374152 653889642 /nfs/dbraw/zinc/88/96/42/653889642.db2.gz KOFMSOXZIOQWAH-XQQFMLRXSA-N 1 0 388.515 1.009 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2c(F)cccc2Br)C[C@H]1C[NH3+] ZINC000652636499 653894654 /nfs/dbraw/zinc/89/46/54/653894654.db2.gz MMNSCPPCORCKAA-BXKDBHETSA-N 1 0 388.237 1.349 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C[C@H]1C[NH3+] ZINC000652635665 653894874 /nfs/dbraw/zinc/89/48/74/653894874.db2.gz BIPWXXTUIHGWBP-PSASIEDQSA-N 1 0 380.392 1.009 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000653076487 653905301 /nfs/dbraw/zinc/90/53/01/653905301.db2.gz YAOJFUCTYLYVHK-OAHLLOKOSA-N 1 0 384.318 1.850 20 0 GDADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653081889 653905513 /nfs/dbraw/zinc/90/55/13/653905513.db2.gz BSSJCDWSYFNWBH-LRDDRELGSA-N 1 0 392.257 1.263 20 0 GDADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CCNS(=O)(=O)c1ccccc1Cl)C2 ZINC000653193043 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384.318 1.842 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654541619 653939984 /nfs/dbraw/zinc/93/99/84/653939984.db2.gz UCQDSKKHHTZAQU-FPMFFAJLSA-N 1 0 398.301 1.979 20 0 GDADRO NS(=O)(=O)c1ccc(O)c(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000654979240 653953507 /nfs/dbraw/zinc/95/35/07/653953507.db2.gz RUEWTNPKFXPIAN-LBPRGKRZSA-N 1 0 385.511 1.196 20 0 GDADRO O=C(Cc1c(F)ccc(Br)c1F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294815 653963674 /nfs/dbraw/zinc/96/36/74/653963674.db2.gz INBLMLBFRWXXGX-VHSXEESVSA-N 1 0 375.213 1.547 20 0 GDADRO CCOc1c(Br)cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1OC ZINC000655300531 653964217 /nfs/dbraw/zinc/96/42/17/653964217.db2.gz PHXRWPQEKCRZQH-QWHCGFSZSA-N 1 0 399.285 1.747 20 0 GDADRO NS(=O)(=O)c1sc(Cl)cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655348685 653967136 /nfs/dbraw/zinc/96/71/36/653967136.db2.gz HOBZTMUBYTVLMD-QWRGUYRKSA-N 1 0 377.919 1.796 20 0 GDADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)ccc1S(N)(=O)=O 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654108919 /nfs/dbraw/zinc/10/89/19/654108919.db2.gz ZKONQBUYTVISDG-ZDUSSCGKSA-N 1 0 391.559 1.602 20 0 GDADRO COc1ncc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)c1Br ZINC000657641543 654152182 /nfs/dbraw/zinc/15/21/82/654152182.db2.gz GDGZFVCDGDCLTC-LLVKDONJSA-N 1 0 399.289 1.510 20 0 GDADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000657989686 654175644 /nfs/dbraw/zinc/17/56/44/654175644.db2.gz IGDVBDDLQPQFHW-MFKMUULPSA-N 1 0 384.249 1.998 20 0 GDADRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658091582 654181408 /nfs/dbraw/zinc/18/14/08/654181408.db2.gz GHFSGVHDALRITJ-LBPRGKRZSA-N 1 0 385.306 1.811 20 0 GDADRO CN1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)[C@@H](C[NH3+])C1 ZINC000658373060 654186157 /nfs/dbraw/zinc/18/61/57/654186157.db2.gz QIKPNHONNUDUQN-NSHDSACASA-N 1 0 382.711 1.366 20 0 GDADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000658373629 654186181 /nfs/dbraw/zinc/18/61/81/654186181.db2.gz YEWSWMCACCHWRM-UHFFFAOYSA-N 1 0 378.292 1.363 20 0 GDADRO CN1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)[C@H](C[NH3+])C1 ZINC000658373059 654186244 /nfs/dbraw/zinc/18/62/44/654186244.db2.gz QIKPNHONNUDUQN-LLVKDONJSA-N 1 0 382.711 1.366 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCCC1 ZINC000658390058 654189032 /nfs/dbraw/zinc/18/90/32/654189032.db2.gz LWYBBKBCVRKLOQ-UHFFFAOYSA-N 1 0 387.527 1.021 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc1F ZINC000658390067 654189269 /nfs/dbraw/zinc/18/92/69/654189269.db2.gz UBPBKJJWLRFMHE-UHFFFAOYSA-N 1 0 381.495 1.335 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)[C@@H]1CCC[NH3+] ZINC000658399855 654189733 /nfs/dbraw/zinc/18/97/33/654189733.db2.gz CPKDOTWFHHFJDG-CXAGYDPISA-N 1 0 386.539 1.643 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1OC ZINC000658398727 654189749 /nfs/dbraw/zinc/18/97/49/654189749.db2.gz DPZRCKTWCCHVRV-PWSUYJOCSA-N 1 0 389.905 1.456 20 0 GDADRO CCOc1ccc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1Br ZINC000658396456 654189864 /nfs/dbraw/zinc/18/98/64/654189864.db2.gz IPLMUVJWZVDBDP-UHFFFAOYSA-N 1 0 375.288 1.960 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000658401683 654190065 /nfs/dbraw/zinc/19/00/65/654190065.db2.gz HMSXQLGIBMOJBR-NSHDSACASA-N 1 0 391.490 1.150 20 0 GDADRO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000658402010 654190380 /nfs/dbraw/zinc/19/03/80/654190380.db2.gz KEIAMUSOTFEEQP-GFCCVEGCSA-N 1 0 387.889 1.157 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1F ZINC000658403661 654190398 /nfs/dbraw/zinc/19/03/98/654190398.db2.gz ICCSVKJTURCRAK-UHFFFAOYSA-N 1 0 391.490 1.008 20 0 GDADRO O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000658406006 654190596 /nfs/dbraw/zinc/19/05/96/654190596.db2.gz OJKLVQUOPYMFHT-UHFFFAOYSA-N 1 0 377.388 1.009 20 0 GDADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000658406677 654190609 /nfs/dbraw/zinc/19/06/09/654190609.db2.gz PZFLGLDVXHKUDV-MRXNPFEDSA-N 1 0 389.543 1.123 20 0 GDADRO O=C(c1cc(Br)ccc1-n1cnnn1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000658932566 654212971 /nfs/dbraw/zinc/21/29/71/654212971.db2.gz XWLGWRFTAKZLIK-MNOVXSKESA-N 1 0 377.246 1.106 20 0 GDADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659335107 654223149 /nfs/dbraw/zinc/22/31/49/654223149.db2.gz IZQCPJMACBLJKZ-CYBMUJFWSA-N 1 0 383.290 1.468 20 0 GDADRO COC[C@]1(C(=O)N2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000659357195 654223654 /nfs/dbraw/zinc/22/36/54/654223654.db2.gz DENAQXMVYRZXFV-KRWDZBQOSA-N 1 0 382.302 1.724 20 0 GDADRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659337016 654223691 /nfs/dbraw/zinc/22/36/91/654223691.db2.gz UOSZUZIQPRFCGE-UONOGXRCSA-N 1 0 397.317 1.988 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000659428322 654226577 /nfs/dbraw/zinc/22/65/77/654226577.db2.gz RTUNMFLLNFIMHZ-ZDUSSCGKSA-N 1 0 386.543 1.317 20 0 GDADRO COCC[NH2+]CCNC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659527472 654228286 /nfs/dbraw/zinc/22/82/86/654228286.db2.gz LXGQYFJQTPJWMG-UHFFFAOYSA-N 1 0 385.306 1.517 20 0 GDADRO O=C(NCCNC(=O)c1ccc(Br)cn1)NCCC1=CC[NH2+]CC1 ZINC000659540627 654228743 /nfs/dbraw/zinc/22/87/43/654228743.db2.gz UYYSHBFLZNTKSS-UHFFFAOYSA-N 1 0 396.289 1.183 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000659634005 654230998 /nfs/dbraw/zinc/23/09/98/654230998.db2.gz AAVYVHRQRIYOTE-CMPLNLGQSA-N 1 0 376.270 1.646 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000659643312 654231351 /nfs/dbraw/zinc/23/13/51/654231351.db2.gz QMGFIOJNITUZJW-YPMHNXCESA-N 1 0 388.306 1.516 20 0 GDADRO C[C@@H](COC1CCCC1)CS(=O)(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000660158484 654242430 /nfs/dbraw/zinc/24/24/30/654242430.db2.gz UXDAARGKSHULJH-FUHWJXTLSA-N 1 0 376.563 1.954 20 0 GDADRO CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000660329650 654246747 /nfs/dbraw/zinc/24/67/47/654246747.db2.gz MICNFQMPKNHGSA-LBPRGKRZSA-N 1 0 379.404 1.095 20 0 GDADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000660555980 654254260 /nfs/dbraw/zinc/25/42/60/654254260.db2.gz CTZCYKLIWPLOFS-ULQDDVLXSA-N 1 0 375.579 1.478 20 0 GDADRO O=C(CNC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2)Nc1ccccc1Br ZINC000661832993 654283988 /nfs/dbraw/zinc/28/39/88/654283988.db2.gz MBXYWCVVQBPCDB-KGLIPLIRSA-N 1 0 396.285 1.397 20 0 GDADRO CN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H](C[NH3+])C(F)(F)F ZINC000662329113 654292940 /nfs/dbraw/zinc/29/29/40/654292940.db2.gz YVLZFNRNXHJPMC-JTQLQIEISA-N 1 0 379.180 1.778 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C[C@H]1C(F)(F)F ZINC000662848886 654307680 /nfs/dbraw/zinc/30/76/80/654307680.db2.gz BFKRBWKLCLTIFZ-HZSPNIEDSA-N 1 0 376.400 1.135 20 0 GDADRO C[C@]1(NC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CC[NH2+]C1 ZINC000663007618 654318168 /nfs/dbraw/zinc/31/81/68/654318168.db2.gz BVOWGHVPCMZDHQ-KRWDZBQOSA-N 1 0 379.507 1.708 20 0 GDADRO C[C@@H](C(=O)N[C@@]1(C)CC[NH2+]C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000663013477 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O=C(NC1CC[NH+](C2CC2)CC1)c1cc(Br)ccc1-n1cnnn1 ZINC000665802965 654412293 /nfs/dbraw/zinc/41/22/93/654412293.db2.gz UYTJPKMOAXUEQT-UHFFFAOYSA-N 1 0 391.273 1.781 20 0 GDADRO CN(C)C(=O)CNC(=S)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000768785669 654430601 /nfs/dbraw/zinc/43/06/01/654430601.db2.gz OKORXPPANUSHHU-ZDUSSCGKSA-N 1 0 376.448 1.860 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)/C=C/c2cccc(Cl)c2)C1 ZINC000768837560 654435140 /nfs/dbraw/zinc/43/51/40/654435140.db2.gz DVUAWOLOZPQYFE-XKOZXHHJSA-N 1 0 385.917 1.818 20 0 GDADRO C[NH+]1CCC(NC(=S)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC1 ZINC000731567392 654437224 /nfs/dbraw/zinc/43/72/24/654437224.db2.gz AVXZGVDTDVMPLQ-UHFFFAOYSA-N 1 0 386.518 1.746 20 0 GDADRO Cc1nccc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1Br ZINC000666836180 654439128 /nfs/dbraw/zinc/43/91/28/654439128.db2.gz HBBJPVFCUGGKLU-LBPRGKRZSA-N 1 0 386.338 1.968 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000731847781 654447903 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386.945 1.749 20 0 GDADRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000667865702 654462417 /nfs/dbraw/zinc/46/24/17/654462417.db2.gz GYKALBBAYZYRFC-FGTMMUONSA-N 1 0 386.945 1.749 20 0 GDADRO Cn1c(Cl)ncc1S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000769429485 654464423 /nfs/dbraw/zinc/46/44/23/654464423.db2.gz NKJJPZYXVMEMTF-UHFFFAOYSA-N 1 0 376.910 1.339 20 0 GDADRO COCc1csc(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000668358955 654479817 /nfs/dbraw/zinc/47/98/17/654479817.db2.gz PMKJJTCJLIZSGQ-AWEZNQCLSA-N 1 0 381.523 1.991 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1nn(C(C)(C)C)cc1Br ZINC000668395646 654480945 /nfs/dbraw/zinc/48/09/45/654480945.db2.gz MXTFTAIAMORAHX-LBPRGKRZSA-N 1 0 386.338 1.766 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCC(OCC[NH+](C)C)CC1 ZINC000732667756 654484805 /nfs/dbraw/zinc/48/48/05/654484805.db2.gz VTOPQYFXAOTXOD-UHFFFAOYSA-N 1 0 383.294 1.673 20 0 GDADRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000769997367 654495251 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C[C@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000669939044 654515288 /nfs/dbraw/zinc/51/52/88/654515288.db2.gz IJKJNIPMOUCJFN-IMJJTQAJSA-N 1 0 386.539 1.593 20 0 GDADRO CN(C)c1nc(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cs1 ZINC000670535425 654523704 /nfs/dbraw/zinc/52/37/04/654523704.db2.gz JSBYMIWCFMZPNI-LBPRGKRZSA-N 1 0 381.527 1.306 20 0 GDADRO CNC(=O)C1([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCCC1 ZINC000733999842 654527378 /nfs/dbraw/zinc/52/73/78/654527378.db2.gz SJEZQJYVJGVWDH-UHFFFAOYSA-N 1 0 379.258 1.605 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670868656 654527609 /nfs/dbraw/zinc/52/76/09/654527609.db2.gz RQNBBHGUWBUJHJ-HOTGVXAUSA-N 1 0 394.313 1.851 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c(C)c1NS(C)(=O)=O ZINC000672422472 654559848 /nfs/dbraw/zinc/55/98/48/654559848.db2.gz ZNSVWAOFQOLQHN-LBPRGKRZSA-N 1 0 377.532 1.212 20 0 GDADRO C[NH+](C)CCNC(=S)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000735418646 654561948 /nfs/dbraw/zinc/56/19/48/654561948.db2.gz SJDNIPAQYYASQB-UHFFFAOYSA-N 1 0 384.571 1.007 20 0 GDADRO O=C(CCOc1ccccc1Br)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673516288 654575781 /nfs/dbraw/zinc/57/57/81/654575781.db2.gz HAKKOYRCOPPBRJ-KGLIPLIRSA-N 1 0 383.286 1.886 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000673523455 654576397 /nfs/dbraw/zinc/57/63/97/654576397.db2.gz SOMIGBKDEWDIPA-BBRMVZONSA-N 1 0 390.311 1.405 20 0 GDADRO CCNS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000772979409 654577806 /nfs/dbraw/zinc/57/78/06/654577806.db2.gz QZUKHBARIYDIPI-NSHDSACASA-N 1 0 392.319 1.695 20 0 GDADRO CC[C@@H](O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000673697180 654581499 /nfs/dbraw/zinc/58/14/99/654581499.db2.gz CHEUTQRUZXCZBD-GFCCVEGCSA-N 1 0 381.420 1.246 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000674310741 654597149 /nfs/dbraw/zinc/59/71/49/654597149.db2.gz ORVYFNFFTQOLRJ-UHFFFAOYSA-N 1 0 385.306 1.751 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000674346162 654598169 /nfs/dbraw/zinc/59/81/69/654598169.db2.gz IQALNTGRZSCISD-LBPRGKRZSA-N 1 0 393.506 1.350 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000774184534 654615253 /nfs/dbraw/zinc/61/52/53/654615253.db2.gz CIOSRWSUQICERQ-REFGNXHDSA-N 1 0 379.404 1.709 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000774252821 654619721 /nfs/dbraw/zinc/61/97/21/654619721.db2.gz DAYMINVSCYTYGB-UHFFFAOYSA-N 1 0 378.230 1.136 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CCCCC1 ZINC000774812973 654641077 /nfs/dbraw/zinc/64/10/77/654641077.db2.gz XZSIFHOQVOPVLL-RBSFLKMASA-N 1 0 385.599 1.863 20 0 GDADRO COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)[NH+](C)C)c1 ZINC000774946663 654648551 /nfs/dbraw/zinc/64/85/51/654648551.db2.gz KGUPNAKYMBDXAB-TZMCWYRMSA-N 1 0 388.295 1.724 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(Cn2ncc(Br)c(Br)c2=O)C1 ZINC000738223439 654651994 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20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=S)NCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000740627679 654671188 /nfs/dbraw/zinc/67/11/88/654671188.db2.gz APRBMHMOOOVXMW-UKRRQHHQSA-N 1 0 384.571 1.513 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)CCC[NH+](C)C)ccc1Cl ZINC000775818321 654675510 /nfs/dbraw/zinc/67/55/10/654675510.db2.gz SDLZKJGUMOHPCO-UHFFFAOYSA-N 1 0 377.894 1.546 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(Cl)nc(Cl)c2)cn1 ZINC000741608601 654690456 /nfs/dbraw/zinc/69/04/56/654690456.db2.gz BIFBFEHUOFAHKV-UHFFFAOYSA-N 1 0 385.255 1.515 20 0 GDADRO C[C@H]1C[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)CCN1S(C)(=O)=O ZINC000776608450 654699574 /nfs/dbraw/zinc/69/95/74/654699574.db2.gz VLUBETYUUGRELR-AWEZNQCLSA-N 1 0 375.535 1.599 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC(C)(C)C[NH+](C)C ZINC000743543280 654717904 /nfs/dbraw/zinc/71/79/04/654717904.db2.gz LUYFCEFENZBVAW-ZDUSSCGKSA-N 1 0 376.954 1.882 20 0 GDADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000743979927 654721899 /nfs/dbraw/zinc/72/18/99/654721899.db2.gz CRUPJGNFYOMEJR-VDBVYFBLSA-N 1 0 385.917 1.758 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc4ncsc4c3)CC2)C1 ZINC000681253471 654725447 /nfs/dbraw/zinc/72/54/47/654725447.db2.gz MZCDGGACEZASNZ-CQSZACIVSA-N 1 0 380.539 1.697 20 0 GDADRO CC(=O)NC1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000682217899 654749905 /nfs/dbraw/zinc/74/99/05/654749905.db2.gz AINWHLPULDJZKY-HNNXBMFYSA-N 1 0 389.265 1.928 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC[N@@H+]1C ZINC000745816917 654750466 /nfs/dbraw/zinc/75/04/66/654750466.db2.gz FYTSJVZBVQMOIS-DGCLKSJQSA-N 1 0 382.477 1.033 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000682432489 654753029 /nfs/dbraw/zinc/75/30/29/654753029.db2.gz YTIYWACSPYSMPQ-CQSZACIVSA-N 1 0 397.317 1.660 20 0 GDADRO COc1ccc2c(c1)[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)CCS2 ZINC000682437050 654753214 /nfs/dbraw/zinc/75/32/14/654753214.db2.gz VFMOYOLLIASXKV-MRXNPFEDSA-N 1 0 385.555 1.399 20 0 GDADRO O=C(NCCC1CS(=O)(=O)C1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000682447902 654753758 /nfs/dbraw/zinc/75/37/58/654753758.db2.gz KLSFDRYLVVGVIW-UHFFFAOYSA-N 1 0 385.555 1.694 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000779138230 654755421 /nfs/dbraw/zinc/75/54/21/654755421.db2.gz FOXFNHCBAALCBG-ZNMIVQPWSA-N 1 0 375.535 1.693 20 0 GDADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000779137571 654755451 /nfs/dbraw/zinc/75/54/51/654755451.db2.gz BODCISDLVYQPPC-RRFJBIMHSA-N 1 0 375.535 1.646 20 0 GDADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCN1CCCS1(=O)=O ZINC000746487624 654762963 /nfs/dbraw/zinc/76/29/63/654762963.db2.gz NMGPOZIXLVCBSA-CABCVRRESA-N 1 0 375.535 1.790 20 0 GDADRO CC(C)N1C(=O)C[C@H]([NH2+]CCCS(N)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000683146901 654768688 /nfs/dbraw/zinc/76/86/88/654768688.db2.gz QVUTVJXQBGMIFO-HOCLYGCPSA-N 1 0 391.896 1.798 20 0 GDADRO Nc1ccc(Br)c(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000747093929 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UQTAQKKOVDXGGW-RDBSUJKOSA-N 1 0 382.473 1.757 20 0 GDADRO Cn1ncc(I)c1C(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000797234339 655233662 /nfs/dbraw/zinc/23/36/62/655233662.db2.gz PAFSJKOUFJQKEI-ZJUUUORDSA-N 1 0 375.210 1.808 20 0 GDADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCNS(=O)(=O)N(C)C ZINC000813331912 655235002 /nfs/dbraw/zinc/23/50/02/655235002.db2.gz RUXUVLFYCXVTHF-KGLIPLIRSA-N 1 0 378.539 1.150 20 0 GDADRO C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC1(Cl)Cl ZINC000839254872 655242713 /nfs/dbraw/zinc/24/27/13/655242713.db2.gz OFMMYXFJOYZTCH-HUUCEWRRSA-N 1 0 384.307 1.812 20 0 GDADRO C[C@H]([NH2+]CC1CCOCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765530931 655242897 /nfs/dbraw/zinc/24/28/97/655242897.db2.gz YOLQOROHVPXZJM-ZDUSSCGKSA-N 1 0 390.527 1.489 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000839484966 655248673 /nfs/dbraw/zinc/24/86/73/655248673.db2.gz ODWQQIHVVUFNDX-LLVKDONJSA-N 1 0 389.283 1.741 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000765795107 655249788 /nfs/dbraw/zinc/24/97/88/655249788.db2.gz HJPOWSBJAIENNU-YRGRVCCFSA-N 1 0 388.921 1.209 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CCN1CCO ZINC000839519228 655251093 /nfs/dbraw/zinc/25/10/93/655251093.db2.gz LYDGZXOHNLHVIO-SECBINFHSA-N 1 0 375.256 1.039 20 0 GDADRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765955483 655253972 /nfs/dbraw/zinc/25/39/72/655253972.db2.gz WGZHVSCFBNBGMM-BBRMVZONSA-N 1 0 392.543 1.470 20 0 GDADRO CC(C)[C@@H](CNS(=O)(=O)CCCN1CCOCC1)[NH+]1CCC(C)CC1 ZINC000766031685 655256327 /nfs/dbraw/zinc/25/63/27/655256327.db2.gz YHNRYFRCZLOOPL-GOSISDBHSA-N 1 0 375.579 1.385 20 0 GDADRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766031561 655256427 /nfs/dbraw/zinc/25/64/27/655256427.db2.gz LMBNCZJTGBUHFA-WFASDCNBSA-N 1 0 378.516 1.080 20 0 GDADRO CSC[C@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766083732 655257960 /nfs/dbraw/zinc/25/79/60/655257960.db2.gz NVJQCYYQDDGZPJ-RYUDHWBXSA-N 1 0 380.557 1.814 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC)ccc1Cl ZINC000798268081 655260639 /nfs/dbraw/zinc/26/06/39/655260639.db2.gz OYXLACMRRUQVIC-LBPRGKRZSA-N 1 0 391.921 1.071 20 0 GDADRO C[NH+](C)CCNC(=S)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000798374543 655265043 /nfs/dbraw/zinc/26/50/43/655265043.db2.gz SXECLXYTUMMYTI-UHFFFAOYSA-N 1 0 378.951 1.034 20 0 GDADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC000799174631 655286282 /nfs/dbraw/zinc/28/62/82/655286282.db2.gz QNRHYEGJWZRORY-CYBMUJFWSA-N 1 0 385.452 1.049 20 0 GDADRO CCCOC(=O)c1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000767315137 655289297 /nfs/dbraw/zinc/28/92/97/655289297.db2.gz LLZHBGXPUWWMPT-JKSUJKDBSA-N 1 0 386.539 1.920 20 0 GDADRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000767425737 655292884 /nfs/dbraw/zinc/29/28/84/655292884.db2.gz MLVUCGUMXOGQDI-MRXNPFEDSA-N 1 0 378.535 1.455 20 0 GDADRO CCOC(=O)C1([S@](C)=O)CCN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000840782311 655297097 /nfs/dbraw/zinc/29/70/97/655297097.db2.gz QIXKBWHPIFXTJW-SXBQZSJRSA-N 1 0 389.587 1.121 20 0 GDADRO C[NH+]1CCC(CNC(=S)Nc2ccc(Cl)nc2)(N2CCOCC2)CC1 ZINC000840852491 655299369 /nfs/dbraw/zinc/29/93/69/655299369.db2.gz JKPWFPKTVZSFQO-UHFFFAOYSA-N 1 0 383.949 1.818 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2cn3c(Br)cnc3s2)CCOCC1 ZINC000815614134 655300522 /nfs/dbraw/zinc/30/05/22/655300522.db2.gz GYXALDMXJIPQTH-UHFFFAOYSA-N 1 0 387.303 1.999 20 0 GDADRO COc1cc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)cnc1Cl ZINC000767765035 655304070 /nfs/dbraw/zinc/30/40/70/655304070.db2.gz XTXAODQBXATUDT-UHFFFAOYSA-N 1 0 389.905 1.667 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nc2ccc(Br)cn2n1 ZINC000840921670 655304125 /nfs/dbraw/zinc/30/41/25/655304125.db2.gz ZLRBPDMSHHGJIZ-VXGBXAGGSA-N 1 0 380.246 1.085 20 0 GDADRO O=C(Nc1cccnc1Br)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000841151162 655310798 /nfs/dbraw/zinc/31/07/98/655310798.db2.gz IJCVRBMBPIAZOX-LBPRGKRZSA-N 1 0 396.289 1.520 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000841160575 655311216 /nfs/dbraw/zinc/31/12/16/655311216.db2.gz ITCQXELJXYUPQH-QMMMGPOBSA-N 1 0 375.654 1.694 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000841192816 655313202 /nfs/dbraw/zinc/31/32/02/655313202.db2.gz XZGNTQDYQKMBCD-UHFFFAOYSA-N 1 0 377.670 1.879 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CCO1 ZINC000841194310 655313401 /nfs/dbraw/zinc/31/34/01/655313401.db2.gz JVBGJLOODBFUNY-OIBJUYFYSA-N 1 0 391.653 1.011 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000768070285 655313513 /nfs/dbraw/zinc/31/35/13/655313513.db2.gz LMHOPAUKPNGRQU-XHSDSOJGSA-N 1 0 398.301 1.645 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cnc(Cl)c1Br ZINC000841230016 655315959 /nfs/dbraw/zinc/31/59/59/655315959.db2.gz UJPREOBZSMLCFU-APPZFPTMSA-N 1 0 389.681 1.859 20 0 GDADRO Cc1cc(Br)nc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000841257976 655317732 /nfs/dbraw/zinc/31/77/32/655317732.db2.gz YVLLAVNCLSZRDL-NSHDSACASA-N 1 0 384.278 1.471 20 0 GDADRO COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000841261057 655318070 /nfs/dbraw/zinc/31/80/70/655318070.db2.gz AWCGZUKKQHYUHI-JTQLQIEISA-N 1 0 381.738 1.461 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCSCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816548047 655328813 /nfs/dbraw/zinc/32/88/13/655328813.db2.gz RZCDRJFAHBRHJU-CYBMUJFWSA-N 1 0 393.575 1.210 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3nc(Br)ccc3F)CC2)C1=O ZINC000816609551 655329962 /nfs/dbraw/zinc/32/99/62/655329962.db2.gz FRKVVVLOKGPEAD-GFCCVEGCSA-N 1 0 399.264 1.408 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccnc3Br)CC2)C1=O ZINC000816609806 655329968 /nfs/dbraw/zinc/32/99/68/655329968.db2.gz MVYMLUJTKBALAC-ZDUSSCGKSA-N 1 0 381.274 1.269 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)n1)NCC[NH+]1CCCCCC1 ZINC000816746958 655335146 /nfs/dbraw/zinc/33/51/46/655335146.db2.gz RZGYDDGRDAKGGB-UHFFFAOYSA-N 1 0 383.290 1.566 20 0 GDADRO CN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C[C@@H]1CCC[N@@H+]1C ZINC000817292006 655349477 /nfs/dbraw/zinc/34/94/77/655349477.db2.gz RLECICJHONEWCV-ZDUSSCGKSA-N 1 0 375.441 1.647 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc1Cl ZINC000817490565 655352873 /nfs/dbraw/zinc/35/28/73/655352873.db2.gz GYWXUPHABODELI-ZDUSSCGKSA-N 1 0 389.905 1.688 20 0 GDADRO C[C@H](CNC(=O)c1cccc(S(=O)(=O)C(F)F)c1)N1CC[NH+](C)CC1 ZINC000817534374 655353562 /nfs/dbraw/zinc/35/35/62/655353562.db2.gz WDICOYHIOCOQAE-GFCCVEGCSA-N 1 0 375.441 1.049 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)C1CCCC1 ZINC000841812484 655354035 /nfs/dbraw/zinc/35/40/35/655354035.db2.gz MQPYDIJTDDJLKL-CYBMUJFWSA-N 1 0 382.477 1.068 20 0 GDADRO CCn1nncc1C[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000841868049 655354468 /nfs/dbraw/zinc/35/44/68/655354468.db2.gz HRMGVWLTGDDFFE-UHFFFAOYSA-N 1 0 378.376 1.760 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)CC[C@@H]1[NH3+] ZINC000842020541 655355365 /nfs/dbraw/zinc/35/53/65/655355365.db2.gz KGBVUMJTVIFRCT-KGLIPLIRSA-N 1 0 384.933 1.670 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C2SCCCS2)C1 ZINC000842125693 655356929 /nfs/dbraw/zinc/35/69/29/655356929.db2.gz OXQUQQJGXYICST-ZDUSSCGKSA-N 1 0 376.544 1.199 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2F)[C@@H](C)C[NH2+]1 ZINC000842217452 655359539 /nfs/dbraw/zinc/35/95/39/655359539.db2.gz XPOUVUMGKDSMAS-QWRGUYRKSA-N 1 0 386.265 1.456 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000842223242 655359668 /nfs/dbraw/zinc/35/96/68/655359668.db2.gz GAOHEAOXUCRQSS-DOMZBBRYSA-N 1 0 396.285 1.217 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000817822988 655359769 /nfs/dbraw/zinc/35/97/69/655359769.db2.gz RWDYEIIFJPQMRZ-RUZDIDTESA-N 1 0 387.571 1.302 20 0 GDADRO CC(C)[C@@H]([NH3+])CN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817958062 655362877 /nfs/dbraw/zinc/36/28/77/655362877.db2.gz GVYHOACEXVJBAG-DOMZBBRYSA-N 1 0 377.532 1.046 20 0 GDADRO CC(C)[NH2+]CCCN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817952133 655362941 /nfs/dbraw/zinc/36/29/41/655362941.db2.gz CEPALEGIZPPISW-CQSZACIVSA-N 1 0 391.559 1.451 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818015871 655364750 /nfs/dbraw/zinc/36/47/50/655364750.db2.gz KZONTOHBLPXCIU-QGZVFWFLSA-N 1 0 392.253 1.400 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842480033 655366759 /nfs/dbraw/zinc/36/67/59/655366759.db2.gz MZGPERPWASCDAT-KCJUWKMLSA-N 1 0 379.251 1.579 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)c(Br)o1 ZINC000842479934 655366800 /nfs/dbraw/zinc/36/68/00/655366800.db2.gz JPIVKPHDAZRTHJ-YUMQZZPRSA-N 1 0 381.248 1.234 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842480970 655367051 /nfs/dbraw/zinc/36/70/51/655367051.db2.gz GDCRBZQTGPPZGU-ZJUUUORDSA-N 1 0 386.417 1.386 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)ccc1Br ZINC000842481497 655367190 /nfs/dbraw/zinc/36/71/90/655367190.db2.gz JQKUMBKBPUTQLC-UFBFGSQYSA-N 1 0 377.260 1.346 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NCCC[NH2+]C2CC2)s1 ZINC000842482043 655367311 /nfs/dbraw/zinc/36/73/11/655367311.db2.gz UZWCEYODXXPUKH-UHFFFAOYSA-N 1 0 397.316 1.718 20 0 GDADRO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000842486171 655368273 /nfs/dbraw/zinc/36/82/73/655368273.db2.gz TYXVTMBGMXFGCH-QWRGUYRKSA-N 1 0 380.919 1.349 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(Br)o1 ZINC000842689544 655371257 /nfs/dbraw/zinc/37/12/57/655371257.db2.gz IRZGNBWCBDNHDG-DTWKUNHWSA-N 1 0 395.275 1.719 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000842691310 655371413 /nfs/dbraw/zinc/37/14/13/655371413.db2.gz FTFALDYWVQXOTH-GWCFXTLKSA-N 1 0 380.919 1.634 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])s1 ZINC000842690192 655371436 /nfs/dbraw/zinc/37/14/36/655371436.db2.gz OUQRIMZFCOPQQN-AAEUAGOBSA-N 1 0 375.516 1.537 20 0 GDADRO O=S(=O)(CC[NH2+][C@H](Cc1ccncc1)c1cccs1)N1CCOCC1 ZINC000818333204 655372543 /nfs/dbraw/zinc/37/25/43/655372543.db2.gz UXKTXOLIHJOGIR-MRXNPFEDSA-N 1 0 381.523 1.679 20 0 GDADRO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842709289 655372672 /nfs/dbraw/zinc/37/26/72/655372672.db2.gz LXAABCAKBRHQHT-JTQLQIEISA-N 1 0 386.417 1.258 20 0 GDADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000842710618 655372763 /nfs/dbraw/zinc/37/27/63/655372763.db2.gz UDPBUKWVFFILQP-NSHDSACASA-N 1 0 380.919 1.506 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)s1 ZINC000842722892 655373661 /nfs/dbraw/zinc/37/36/61/655373661.db2.gz POSJFNJFERDCFR-HNNXBMFYSA-N 1 0 377.532 1.688 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000842726570 655373831 /nfs/dbraw/zinc/37/38/31/655373831.db2.gz 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[NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842778143 655376531 /nfs/dbraw/zinc/37/65/31/655376531.db2.gz MABFYLAEQQJWHN-NXEZZACHSA-N 1 0 386.417 1.528 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)ccc1Br ZINC000842789098 655376989 /nfs/dbraw/zinc/37/69/89/655376989.db2.gz PXWILMZODMREFB-GFCCVEGCSA-N 1 0 377.260 1.251 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818614221 655377548 /nfs/dbraw/zinc/37/75/48/655377548.db2.gz WEXGJNOCTWVACZ-GFCCVEGCSA-N 1 0 377.304 1.956 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N(C)C2CC([NH3+])C2)s1 ZINC000842887336 655382673 /nfs/dbraw/zinc/38/26/73/655382673.db2.gz RYAZJKIGWFXYCV-UHFFFAOYSA-N 1 0 383.289 1.407 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c(Br)o1 ZINC000842836152 655380474 /nfs/dbraw/zinc/38/04/74/655380474.db2.gz OXSBCCXXKZFQPX-SFYZADRCSA-N 1 0 381.248 1.200 20 0 GDADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000842838050 655380542 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GDADRO CC[C@H]1C[N@H+](C)CCN1C(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000818969878 655382313 /nfs/dbraw/zinc/38/23/13/655382313.db2.gz ARKDTSWRUZSIPS-STQMWFEESA-N 1 0 388.921 1.345 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)ccc1Cl ZINC000842892128 655383218 /nfs/dbraw/zinc/38/32/18/655383218.db2.gz FHMGZZONLSRDAO-LLVKDONJSA-N 1 0 380.919 1.554 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccc1Cl ZINC000842894246 655383377 /nfs/dbraw/zinc/38/33/77/655383377.db2.gz NWCREWAJLCOMCS-LLVKDONJSA-N 1 0 388.845 1.019 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000842918572 655384006 /nfs/dbraw/zinc/38/40/06/655384006.db2.gz ULTVTBPMQBKYPG-BDAKNGLRSA-N 1 0 379.276 1.640 20 0 GDADRO O[C@@H](C[NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000819076479 655384728 /nfs/dbraw/zinc/38/47/28/655384728.db2.gz CWEPDTPDFVXECJ-ROUUACIJSA-N 1 0 398.345 1.479 20 0 GDADRO Cn1cc(N2CC[C@H]([NH2+]C[C@H](O)c3ccc(Br)cc3)C2=O)cn1 ZINC000819080551 655384839 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0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819187451 655387925 /nfs/dbraw/zinc/38/79/25/655387925.db2.gz KPVUJZKQNMANJA-FZMZJTMJSA-N 1 0 377.304 1.354 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000819187284 655387956 /nfs/dbraw/zinc/38/79/56/655387956.db2.gz GVFGHQKUSZJQNR-BXUZGUMPSA-N 1 0 377.304 1.354 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000819199472 655388072 /nfs/dbraw/zinc/38/80/72/655388072.db2.gz XFBQHBNZNJFVNN-MBNYWOFBSA-N 1 0 381.585 1.712 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000819209123 655388156 /nfs/dbraw/zinc/38/81/56/655388156.db2.gz GGMNIMBNXRQKEG-AWEZNQCLSA-N 1 0 377.503 1.408 20 0 GDADRO C[C@@](O)(C[NH2+][C@H]1CCCN(CCO)C1=O)c1ccc(Br)cc1F ZINC000843105892 655388621 /nfs/dbraw/zinc/38/86/21/655388621.db2.gz ZAZUGRCVDIMPGL-GOEBONIOSA-N 1 0 389.265 1.369 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CCN1C(=O)OC(C)(C)C ZINC000819266975 655388982 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NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)sc1Br ZINC000843256764 655390208 /nfs/dbraw/zinc/39/02/08/655390208.db2.gz IRJDNFRWNUAGNE-ZETCQYMHSA-N 1 0 382.305 1.030 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819343524 655390218 /nfs/dbraw/zinc/39/02/18/655390218.db2.gz LWZYCSHWGOONMM-ZWNOBZJWSA-N 1 0 383.283 1.539 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000819348999 655390415 /nfs/dbraw/zinc/39/04/15/655390415.db2.gz RIKWKXDMVNDKHT-QGZVFWFLSA-N 1 0 383.491 1.317 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000819371346 655390671 /nfs/dbraw/zinc/39/06/71/655390671.db2.gz ZWGZJAACOSHONW-LBPRGKRZSA-N 1 0 396.278 1.495 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)NS(=O)(=O)c1cccnc1Cl ZINC000843347312 655393230 /nfs/dbraw/zinc/39/32/30/655393230.db2.gz UCACNEHEKQVQOL-FRRDWIJNSA-N 1 0 388.921 1.378 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843351402 655393393 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378.539 1.054 20 0 GDADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000843450905 655395113 /nfs/dbraw/zinc/39/51/13/655395113.db2.gz BOVJDXWKVSCCBZ-AGUYFDCRSA-N 1 0 385.917 1.879 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC(C)([NH3+])CC2)ccc1Cl ZINC000843467802 655395696 /nfs/dbraw/zinc/39/56/96/655395696.db2.gz ISFGHSOYNXANKD-UHFFFAOYSA-N 1 0 375.878 1.475 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)sc1Br ZINC000843470574 655395843 /nfs/dbraw/zinc/39/58/43/655395843.db2.gz QPVMMOWZOUPDQR-SSDOTTSWSA-N 1 0 382.305 1.030 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000819838235 655396440 /nfs/dbraw/zinc/39/64/40/655396440.db2.gz XNHBQXAYSRDNGZ-LLVKDONJSA-N 1 0 394.269 1.889 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000819912773 655399445 /nfs/dbraw/zinc/39/94/45/655399445.db2.gz VCIVGNVGTHLYMT-DZGCQCFKSA-N 1 0 385.917 1.757 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000844035923 655405590 /nfs/dbraw/zinc/40/55/90/655405590.db2.gz OYRAQJXMCZVPST-SECBINFHSA-N 1 0 378.782 1.946 20 0 GDADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000844321021 655409453 /nfs/dbraw/zinc/40/94/53/655409453.db2.gz BAOLTTCAMCFZMG-AAEUAGOBSA-N 1 0 389.905 1.944 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000821258999 655425362 /nfs/dbraw/zinc/42/53/62/655425362.db2.gz GSCICQNVLVTYJF-CFVMTHIKSA-N 1 0 391.331 1.790 20 0 GDADRO C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000845880408 655437520 /nfs/dbraw/zinc/43/75/20/655437520.db2.gz OMFNLLUOQBIYDT-RUZDIDTESA-N 1 0 383.539 1.308 20 0 GDADRO CC[N@H+](CCNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)CCC(F)(F)F ZINC000822419907 655444856 /nfs/dbraw/zinc/44/48/56/655444856.db2.gz OPDRQXRXJZFVDF-ZJUUUORDSA-N 1 0 377.329 1.692 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1snc(Cl)c1Cl ZINC000846063004 655446442 /nfs/dbraw/zinc/44/64/42/655446442.db2.gz 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O=C(Nc1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1)C(F)(F)F ZINC000846235496 655450517 /nfs/dbraw/zinc/45/05/17/655450517.db2.gz XAASQMDRBJORST-UHFFFAOYSA-N 1 0 379.404 1.855 20 0 GDADRO CC(C)C[N@H+](C)CCCNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000846291177 655451989 /nfs/dbraw/zinc/45/19/89/655451989.db2.gz KCRKVZDUBNZNQY-UHFFFAOYSA-N 1 0 379.885 1.834 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000846318408 655452152 /nfs/dbraw/zinc/45/21/52/655452152.db2.gz GFLHIGWRCJKACA-UHFFFAOYSA-N 1 0 385.262 1.010 20 0 GDADRO [NH3+][C@H]1CCc2ncc(NC(=O)C(=O)NCCC[C@@H]3CC3(Cl)Cl)cc2C1 ZINC000846322981 655452294 /nfs/dbraw/zinc/45/22/94/655452294.db2.gz BKMSDWDHVNYATM-NEPJUHHUSA-N 1 0 385.295 1.926 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000846321489 655452301 /nfs/dbraw/zinc/45/23/01/655452301.db2.gz ZFZKDKMSRYAYHG-UHFFFAOYSA-N 1 0 385.262 1.010 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000823004850 655455127 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O=S(=O)(CC[NH2+]Cc1cnc(-c2ccccc2F)s1)N1CCOCC1 ZINC000823825529 655468633 /nfs/dbraw/zinc/46/86/33/655468633.db2.gz RJZJOQAXACDVKU-UHFFFAOYSA-N 1 0 385.486 1.701 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1=O ZINC000823866139 655468997 /nfs/dbraw/zinc/46/89/97/655468997.db2.gz VMUUVLOABJPKKH-UHFFFAOYSA-N 1 0 378.782 1.600 20 0 GDADRO C[NH+]1CCC(N(CCO)C(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000824157599 655472086 /nfs/dbraw/zinc/47/20/86/655472086.db2.gz IIXBZJVXORJOIF-UHFFFAOYSA-N 1 0 381.274 1.626 20 0 GDADRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc(Br)cc1-c1nn[nH]n1 ZINC000824414181 655475018 /nfs/dbraw/zinc/47/50/18/655475018.db2.gz WNWJWPMCPMKIDJ-NSHDSACASA-N 1 0 380.294 1.677 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(Br)cc2-c2nn[nH]n2)C[C@@H]1C ZINC000824708671 655479247 /nfs/dbraw/zinc/47/92/47/655479247.db2.gz ZJZKBZIDORXXPC-WDEREUQCSA-N 1 0 381.278 1.521 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1(Br)Br ZINC000824732671 655479617 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[NH3+]C[C@@H](NC(=O)c1ccc2ncc(I)n2c1)C(F)(F)F ZINC000848437821 655489841 /nfs/dbraw/zinc/48/98/41/655489841.db2.gz NIHGPPHXIKLSLO-SSDOTTSWSA-N 1 0 398.126 1.558 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1csc(Br)c1 ZINC000825645034 655492024 /nfs/dbraw/zinc/49/20/24/655492024.db2.gz NIUZDIHHRCGKLP-SNVBAGLBSA-N 1 0 389.319 1.772 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000825886760 655494418 /nfs/dbraw/zinc/49/44/18/655494418.db2.gz ISORZUMMWAJWTH-UHFFFAOYSA-N 1 0 398.349 1.595 20 0 GDADRO CSc1nc2ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc2s1 ZINC000848603447 655497362 /nfs/dbraw/zinc/49/73/62/655497362.db2.gz PDKFHHQHOWEGGU-SECBINFHSA-N 1 0 378.401 1.963 20 0 GDADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ncc(Br)cn1 ZINC000826678699 655500009 /nfs/dbraw/zinc/50/00/09/655500009.db2.gz GSRMOGLRFNRENC-CYBMUJFWSA-N 1 0 383.290 1.955 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(Br)cn2)cn1 ZINC000826809910 655501351 /nfs/dbraw/zinc/50/13/51/655501351.db2.gz UTWKXJYJWGMJPT-CVEARBPZSA-N 1 0 392.301 1.929 20 0 GDADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc(Cl)n1 ZINC000827032606 655504532 /nfs/dbraw/zinc/50/45/32/655504532.db2.gz HJELDZRPQUASKB-JSGCOSHPSA-N 1 0 388.921 1.221 20 0 GDADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCC1SCCS1 ZINC000827319460 655508966 /nfs/dbraw/zinc/50/89/66/655508966.db2.gz DAQGSLRJKSJYDB-HNNXBMFYSA-N 1 0 381.567 1.588 20 0 GDADRO COc1cc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cnc1Br ZINC000827439482 655511262 /nfs/dbraw/zinc/51/12/62/655511262.db2.gz CIULOACHXNQKEG-UHFFFAOYSA-N 1 0 397.317 1.705 20 0 GDADRO CC(C)[C@H]1CN(C(=O)c2cc(I)nn2C)CC[N@@H+]1C ZINC000827491947 655512340 /nfs/dbraw/zinc/51/23/40/655512340.db2.gz ZCOUDVPUKAJGJT-LLVKDONJSA-N 1 0 376.242 1.437 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000827544822 655512932 /nfs/dbraw/zinc/51/29/32/655512932.db2.gz LMTSTEFZDMCYJO-SNVBAGLBSA-N 1 0 392.319 1.557 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(C(F)(F)Br)nc1)N1CC[NH+](C)CC1 ZINC000827579568 655513386 /nfs/dbraw/zinc/51/33/86/655513386.db2.gz GMAVMEKDPWGITE-NSHDSACASA-N 1 0 391.260 1.892 20 0 GDADRO CCN(CC)C(=[NH2+])NC[C@H](O)COc1ccc(I)cc1 ZINC000849072678 655517189 /nfs/dbraw/zinc/51/71/89/655517189.db2.gz VUELAZHWJPBVDL-LBPRGKRZSA-N 1 0 391.253 1.897 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000828037609 655518731 /nfs/dbraw/zinc/51/87/31/655518731.db2.gz FDOSUZPBQXDDNJ-AWEZNQCLSA-N 1 0 382.917 1.700 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000849430086 655533920 /nfs/dbraw/zinc/53/39/20/655533920.db2.gz ZKFGIDSCYJJBIG-UHFFFAOYSA-N 1 0 379.939 1.211 20 0 GDADRO Cn1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)nc1Cl ZINC000849436707 655534982 /nfs/dbraw/zinc/53/49/82/655534982.db2.gz PLEXFVBWMZWJEX-UHFFFAOYSA-N 1 0 383.905 1.659 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(Br)nn2C)cn1 ZINC000849595926 655542483 /nfs/dbraw/zinc/54/24/83/655542483.db2.gz MIJPJMNQHBMXSG-NWDGAFQWSA-N 1 0 381.278 1.590 20 0 GDADRO CSc1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000850374928 655553494 /nfs/dbraw/zinc/55/34/94/655553494.db2.gz AUJZTPYRNJDGTH-RYUDHWBXSA-N 1 0 383.901 1.980 20 0 GDADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[S@@](=O)CC(F)(F)F)c1 ZINC000850544157 655557650 /nfs/dbraw/zinc/55/76/50/655557650.db2.gz CVPOHVATCVUBJC-RUZDIDTESA-N 1 0 379.404 1.114 20 0 GDADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC2SCCS2)CC1 ZINC000850562308 655558855 /nfs/dbraw/zinc/55/88/55/655558855.db2.gz ZTFFFKWNRXHAFY-UHFFFAOYSA-N 1 0 376.573 1.575 20 0 GDADRO O=C(NCCC1SCCS1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000850667600 655563440 /nfs/dbraw/zinc/56/34/40/655563440.db2.gz VNNBKTXKFWQPLN-UKRRQHHQSA-N 1 0 383.583 1.774 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCCC1SCCS1 ZINC000850673255 655563848 /nfs/dbraw/zinc/56/38/48/655563848.db2.gz ASQVMKYBFWVJPV-UHFFFAOYSA-N 1 0 387.596 1.951 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C[C@@H]1[NH3+] ZINC000850722681 655566484 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GDADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000851841134 655599020 /nfs/dbraw/zinc/59/90/20/655599020.db2.gz DXEHFLYLQGHAEZ-AWEZNQCLSA-N 1 0 386.451 1.317 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000851866542 655601078 /nfs/dbraw/zinc/60/10/78/655601078.db2.gz RGAMCYPZEKBRKN-ZIAGYGMSSA-N 1 0 381.514 1.595 20 0 GDADRO C[NH+](C)C1(CNC(=O)NCCS(=O)(=O)CC(F)(F)F)CCCCCC1 ZINC000851938986 655604045 /nfs/dbraw/zinc/60/40/45/655604045.db2.gz CSXIYIBYYFHVIJ-UHFFFAOYSA-N 1 0 387.468 1.917 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCn2ncc(Br)c2C1 ZINC000852064674 655606869 /nfs/dbraw/zinc/60/68/69/655606869.db2.gz DMPMUODXERHNJF-NWDGAFQWSA-N 1 0 384.278 1.034 20 0 GDADRO C[N@H+](C[C@@H](O)c1cccc(Br)c1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000852171352 655609387 /nfs/dbraw/zinc/60/93/87/655609387.db2.gz DLNQASKCPTYWBT-SJLPKXTDSA-N 1 0 393.281 1.787 20 0 GDADRO CS(=O)(=O)NCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000852472534 655616346 /nfs/dbraw/zinc/61/63/46/655616346.db2.gz DXJLVVGUWZSKEW-OLZOCXBDSA-N 1 0 385.452 1.191 20 0 GDADRO COC(=O)N(C)CC[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000852574027 655617937 /nfs/dbraw/zinc/61/79/37/655617937.db2.gz XYVRGTDMWJBKOF-ZDUSSCGKSA-N 1 0 375.263 1.819 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852825381 655623741 /nfs/dbraw/zinc/62/37/41/655623741.db2.gz PBKOKXPJLOGRPF-NSHDSACASA-N 1 0 383.246 1.306 20 0 GDADRO [NH3+][C@H](C(=O)N1CCC(n2nncc2I)CC1)C1CCC1 ZINC000852860744 655624259 /nfs/dbraw/zinc/62/42/59/655624259.db2.gz IZCSEIVKEARNNB-LBPRGKRZSA-N 1 0 389.241 1.174 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)C3=NO[C@H](C[NH3+])C3)C2=O)ccc1Br ZINC000852889391 655625410 /nfs/dbraw/zinc/62/54/10/655625410.db2.gz OFQILWZKFFNSIH-AAEUAGOBSA-N 1 0 395.257 1.083 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000852916360 655628196 /nfs/dbraw/zinc/62/81/96/655628196.db2.gz GEMIETARVVPQEE-AWEZNQCLSA-N 1 0 384.274 1.156 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000852920624 655628469 /nfs/dbraw/zinc/62/84/69/655628469.db2.gz WFNFUILRIIWKNX-QMMMGPOBSA-N 1 0 380.297 1.772 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)s1 ZINC000853080704 655632213 /nfs/dbraw/zinc/63/22/13/655632213.db2.gz DECAIRBXKYWMCJ-VIFPVBQESA-N 1 0 389.421 1.157 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc(F)c1F ZINC000853081098 655632300 /nfs/dbraw/zinc/63/23/00/655632300.db2.gz KVPBSDFROWWPIG-VIFPVBQESA-N 1 0 376.303 1.262 20 0 GDADRO C[NH+](C)C[C@@H](OC(=O)C(C)(C)NS(C)(=O)=O)c1cc(F)c(F)c(F)c1 ZINC000853211908 655636665 /nfs/dbraw/zinc/63/66/65/655636665.db2.gz GSOCUIIYNIENJY-GFCCVEGCSA-N 1 0 382.404 1.578 20 0 GDADRO O=C(c1c(Br)nc2n1CCC2)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854329359 655662606 /nfs/dbraw/zinc/66/26/06/655662606.db2.gz ALFZLTOPXGUHTC-ZDUSSCGKSA-N 1 0 397.317 1.919 20 0 GDADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854353450 655663748 /nfs/dbraw/zinc/66/37/48/655663748.db2.gz ZLRYQJMPXIQFFZ-ZDUSSCGKSA-N 1 0 376.810 1.802 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)[C@H]3Cc4cc(Br)ccc4O3)C2)CC1 ZINC000854643946 655673341 /nfs/dbraw/zinc/67/33/41/655673341.db2.gz BMJBXMGNFIXZLE-QGZVFWFLSA-N 1 0 394.313 1.458 20 0 GDADRO CC(C)(C)n1ncc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1Br ZINC000854742802 655675625 /nfs/dbraw/zinc/67/56/25/655675625.db2.gz GOXUVJBQRWFVBC-LBPRGKRZSA-N 1 0 387.322 1.977 20 0 GDADRO O=C(NCC[S@](=O)CC(F)(F)F)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000855275069 655689573 /nfs/dbraw/zinc/68/95/73/655689573.db2.gz YDFHYJMPKABEKD-BZQUYTCOSA-N 1 0 378.416 1.051 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856819718 655719746 /nfs/dbraw/zinc/71/97/46/655719746.db2.gz YYRKZHOWTGGCNI-PBHICJAKSA-N 1 0 375.535 1.647 20 0 GDADRO CC1CCN(C(=S)SCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000857649444 655738769 /nfs/dbraw/zinc/73/87/69/655738769.db2.gz WIEHWUKFEBEDAH-UHFFFAOYSA-N 1 0 388.603 1.215 20 0 GDADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)Cn2cncn2)C1 ZINC000857882773 655742883 /nfs/dbraw/zinc/74/28/83/655742883.db2.gz LOVZMZRBRLFDCR-CQSZACIVSA-N 1 0 378.274 1.950 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000858632464 655751520 /nfs/dbraw/zinc/75/15/20/655751520.db2.gz UOAHITYNGDAVGO-KOLCDFICSA-N 1 0 391.287 1.655 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)C[C@H](C)[NH3+])c(Br)cc1F ZINC000858641206 655751796 /nfs/dbraw/zinc/75/17/96/655751796.db2.gz CNEKJQJMOPUAIT-ZETCQYMHSA-N 1 0 383.239 1.343 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860032986 655793660 /nfs/dbraw/zinc/79/36/60/655793660.db2.gz XXJACNCDPANOPO-CALCHBBNSA-N 1 0 375.535 1.505 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000860871701 655809747 /nfs/dbraw/zinc/80/97/47/655809747.db2.gz JLMAZZILMLBKGP-LBPRGKRZSA-N 1 0 384.278 1.614 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000861509256 655824100 /nfs/dbraw/zinc/82/41/00/655824100.db2.gz IMDUVAQAANEJDN-LLVKDONJSA-N 1 0 389.681 1.892 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861541885 655825398 /nfs/dbraw/zinc/82/53/98/655825398.db2.gz IXKAMGIIKVSCEF-VIFPVBQESA-N 1 0 375.210 1.344 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000861541287 655825436 /nfs/dbraw/zinc/82/54/36/655825436.db2.gz AHMLUXBHTJPHPV-LURJTMIESA-N 1 0 397.163 1.314 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000861543022 655825516 /nfs/dbraw/zinc/82/55/16/655825516.db2.gz XLTXABKTUZSDHL-NSHDSACASA-N 1 0 383.290 1.793 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(Br)c4ncc(C=O)n4c3)C[C@H]21 ZINC000861914157 655833564 /nfs/dbraw/zinc/83/35/64/655833564.db2.gz LJXRYMITTMLXCS-IMRBUKKESA-N 1 0 377.242 1.541 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861987126 655835640 /nfs/dbraw/zinc/83/56/40/655835640.db2.gz XJTXJJYHYMGOHE-UHFFFAOYSA-N 1 0 385.306 1.818 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000862958292 655858951 /nfs/dbraw/zinc/85/89/51/655858951.db2.gz CWQFTSMIPUPEBN-UHFFFAOYSA-N 1 0 385.306 1.818 20 0 GDADRO CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=S)NCCS(C)(=O)=O ZINC000863208510 655862814 /nfs/dbraw/zinc/86/28/14/655862814.db2.gz HBVHPZISLZFNAN-QGZVFWFLSA-N 1 0 383.583 1.748 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000863218218 655863125 /nfs/dbraw/zinc/86/31/25/655863125.db2.gz QFKXFWKSNQRLIR-CQSZACIVSA-N 1 0 384.571 1.955 20 0 GDADRO O=C(/C=C\c1ccc(I)o1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863329870 655866180 /nfs/dbraw/zinc/86/61/80/655866180.db2.gz VCKUXKNFHIGTAG-WUWIAWFRSA-N 1 0 376.194 1.080 20 0 GDADRO C[C@@H]1[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCS1(=O)=O ZINC000863581576 655876573 /nfs/dbraw/zinc/87/65/73/655876573.db2.gz SQYUSWYAQOFGTG-FZQKWOKYSA-N 1 0 380.279 1.961 20 0 GDADRO C[NH2+]C1(CNC(=O)c2ccc(OC)c(I)n2)CCC1 ZINC000863921967 655883669 /nfs/dbraw/zinc/88/36/69/655883669.db2.gz KZHCNCDMAFQKCF-UHFFFAOYSA-N 1 0 375.210 1.567 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c(I)n1 ZINC000864051195 655888081 /nfs/dbraw/zinc/88/80/81/655888081.db2.gz CUVZHRVTFCPHNP-LIBAHTEVSA-N 1 0 381.283 1.804 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000864063215 655888491 /nfs/dbraw/zinc/88/84/91/655888491.db2.gz IVEVXMJWJCMUGB-BDAKNGLRSA-N 1 0 376.242 1.781 20 0 GDADRO C[NH+](C)C1(C)CCC(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000865260946 655915674 /nfs/dbraw/zinc/91/56/74/655915674.db2.gz KQSWVRBBHOYAGU-UHFFFAOYSA-N 1 0 384.571 1.561 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000865490256 655920747 /nfs/dbraw/zinc/92/07/47/655920747.db2.gz QMUSITIFKQGIBN-GXFFZTMASA-N 1 0 392.319 1.660 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000865555647 655921858 /nfs/dbraw/zinc/92/18/58/655921858.db2.gz GCHYSUKVWIYXGV-RRFJBIMHSA-N 1 0 375.535 1.693 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000865586740 655922293 /nfs/dbraw/zinc/92/22/93/655922293.db2.gz GDKBYLJUKKDJAM-LLVKDONJSA-N 1 0 388.253 1.725 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000865706708 655924678 /nfs/dbraw/zinc/92/46/78/655924678.db2.gz ZZIWGMZVZCECIL-SOUVJXGZSA-N 1 0 375.535 1.551 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]Cc3cc(Br)cnc3Cl)COCCN12 ZINC000865771767 655926374 /nfs/dbraw/zinc/92/63/74/655926374.db2.gz ZPICKLQVHNYQJE-CYBMUJFWSA-N 1 0 376.638 1.808 20 0 GDADRO COc1ccc(C[NH2+]C[C@]23COCCN2C(=O)COC3)cc1Br ZINC000865800710 655927220 /nfs/dbraw/zinc/92/72/20/655927220.db2.gz MJPOGMOAUZWPHD-MRXNPFEDSA-N 1 0 385.258 1.175 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(I)nn2C)[C@H](C)C1 ZINC000866047695 655933867 /nfs/dbraw/zinc/93/38/67/655933867.db2.gz FVCQSRTVFJNUAI-MNOVXSKESA-N 1 0 390.269 1.827 20 0 GDADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cnn(C)c2Br)CC1 ZINC000866453146 655944140 /nfs/dbraw/zinc/94/41/40/655944140.db2.gz IINOQFZCYWXIHO-UHFFFAOYSA-N 1 0 379.324 1.676 20 0 GDADRO COC1([C@H](C)[NH2+]Cc2c(I)cnn2C)CCOCC1 ZINC000866632220 655951982 /nfs/dbraw/zinc/95/19/82/655951982.db2.gz VXSIPMZXSOPUDD-JTQLQIEISA-N 1 0 379.242 1.698 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cn(C)nc1Br)[NH+]1CCC(C)CC1 ZINC000866644321 655952263 /nfs/dbraw/zinc/95/22/63/655952263.db2.gz UAQCIQXIXQZKJV-LLVKDONJSA-N 1 0 379.324 1.581 20 0 GDADRO COc1ncc(Br)cc1CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712045 655956036 /nfs/dbraw/zinc/95/60/36/655956036.db2.gz QCXYBJIPHVKKRN-MJBXVCDLSA-N 1 0 397.273 1.220 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)Cc2ccc(F)cc2Cl)C1 ZINC000866711364 655956057 /nfs/dbraw/zinc/95/60/57/655956057.db2.gz JDXUDYJHVBMOIO-GFCCVEGCSA-N 1 0 391.896 1.486 20 0 GDADRO COC(=O)[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)c1cc(F)ccc1F ZINC000866715266 655956270 /nfs/dbraw/zinc/95/62/70/655956270.db2.gz NSECZHBSNDNBON-OAHLLOKOSA-N 1 0 376.425 1.584 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(OC)cc1F ZINC000866741464 655958071 /nfs/dbraw/zinc/95/80/71/655958071.db2.gz FGFOSWPQBHXSKC-CYBMUJFWSA-N 1 0 376.450 1.615 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866748783 655958718 /nfs/dbraw/zinc/95/87/18/655958718.db2.gz BSWMZPSCTMNWKM-ZDUSSCGKSA-N 1 0 390.912 1.665 20 0 GDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1cnn(C)c1Br ZINC000866750975 655958941 /nfs/dbraw/zinc/95/89/41/655958941.db2.gz SGMDXZABPJYTEF-QWRGUYRKSA-N 1 0 379.324 1.724 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000866752771 655959140 /nfs/dbraw/zinc/95/91/40/655959140.db2.gz VUAUKFVLAPCKOI-CQSZACIVSA-N 1 0 382.313 1.545 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000866758047 655959529 /nfs/dbraw/zinc/95/95/29/655959529.db2.gz LVELZLKAGLADBV-GHMZBOCLSA-N 1 0 377.304 1.957 20 0 GDADRO C[C@]1(CS(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1(Cl)Cl ZINC000866758534 655959644 /nfs/dbraw/zinc/95/96/44/655959644.db2.gz UVEKBRYBLVSRGN-DGCLKSJQSA-N 1 0 386.345 1.220 20 0 GDADRO CC1(CNS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC[NH2+]CC1 ZINC000866761561 655959882 /nfs/dbraw/zinc/95/98/82/655959882.db2.gz YNFAOKQRYUXRSG-UHFFFAOYSA-N 1 0 379.404 1.855 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2cc3nc(Cl)ncc3s2)CCC[NH2+]1 ZINC000866763544 655960201 /nfs/dbraw/zinc/96/02/01/655960201.db2.gz FOQAXMQUEQCNOD-ZDUSSCGKSA-N 1 0 376.891 1.392 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000866769765 655961082 /nfs/dbraw/zinc/96/10/82/655961082.db2.gz QLJCNDGHIAXJCQ-CYBMUJFWSA-N 1 0 377.304 1.555 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c(Br)n1 ZINC000866775747 655962052 /nfs/dbraw/zinc/96/20/52/655962052.db2.gz ODYKJKTZTYFGPJ-GFCCVEGCSA-N 1 0 391.335 1.583 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000866779051 655962626 /nfs/dbraw/zinc/96/26/26/655962626.db2.gz MKZVRZPPKUJRBG-VXGBXAGGSA-N 1 0 381.267 1.659 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000866790443 655963860 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376.242 1.893 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H]2CC23CC[NH2+]CC3)c1I ZINC000867974203 656136324 /nfs/dbraw/zinc/13/63/24/656136324.db2.gz GBDWLQMYQWWJAI-NSHDSACASA-N 1 0 388.253 1.941 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1cccc(Br)c1 ZINC000867978615 656136623 /nfs/dbraw/zinc/13/66/23/656136623.db2.gz QFKNQUQPYOKFHX-DOTOQJQBSA-N 1 0 380.286 1.981 20 0 GDADRO CCOC(=O)Cn1ccc(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867984235 656137083 /nfs/dbraw/zinc/13/70/83/656137083.db2.gz VRFUGSHJAQWHBJ-AWEZNQCLSA-N 1 0 381.230 1.847 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000868053316 656138854 /nfs/dbraw/zinc/13/88/54/656138854.db2.gz XEWHNZMCMSQJRI-ZYHUDNBSSA-N 1 0 390.269 1.939 20 0 GDADRO CC(C)(C(=O)N1CC[C@@](C)([NH3+])C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000868075508 656139693 /nfs/dbraw/zinc/13/96/93/656139693.db2.gz KLRXAMGKCNCRMU-OAHLLOKOSA-N 1 0 389.315 1.951 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000868246152 656145963 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[NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1ccc(I)cc1 ZINC000868291341 656149291 /nfs/dbraw/zinc/14/92/91/656149291.db2.gz IHGYHXKPQKQZKE-UHFFFAOYSA-N 1 0 399.232 1.712 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CSC[C@@H]3C2)CC[C@@H]1C(F)(F)F ZINC000868395415 656154204 /nfs/dbraw/zinc/15/42/04/656154204.db2.gz LJCYRWJRIYPTAK-NDBYEHHHSA-N 1 0 379.448 1.184 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868422799 656155088 /nfs/dbraw/zinc/15/50/88/656155088.db2.gz WAQBTCBDTGKOPV-CABCVRRESA-N 1 0 380.286 1.760 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868423190 656155230 /nfs/dbraw/zinc/15/52/30/656155230.db2.gz YEINXNMANOVPEY-QWHCGFSZSA-N 1 0 386.315 1.822 20 0 GDADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(Br)cn1 ZINC000869120116 656180712 /nfs/dbraw/zinc/18/07/12/656180712.db2.gz ZBYZOAKHDLUUCU-LBPRGKRZSA-N 1 0 385.306 1.831 20 0 GDADRO C/C(=C\c1ccc(Br)o1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000869401452 656194604 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20 0 GDADRO C[N@@H+]1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CCC1(C)C ZINC000871158922 656263153 /nfs/dbraw/zinc/26/31/53/656263153.db2.gz KWWFLDAQYXUBRX-UHFFFAOYSA-N 1 0 393.289 1.981 20 0 GDADRO C[N@@H+]1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CCC1(C)C ZINC000871151835 656263197 /nfs/dbraw/zinc/26/31/97/656263197.db2.gz CDTGTWXLBVDSCG-UHFFFAOYSA-N 1 0 380.539 1.932 20 0 GDADRO CC[C@H]1COCCN1CCNC(=O)c1nc2ccc(Br)cn2n1 ZINC000871761250 656278275 /nfs/dbraw/zinc/27/82/75/656278275.db2.gz YQWMUMVTSZHBOG-LBPRGKRZSA-N 1 0 382.262 1.332 20 0 GDADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000871804466 656280009 /nfs/dbraw/zinc/28/00/09/656280009.db2.gz BDROZVILJPUARN-FQOARCPFSA-N 1 0 379.470 1.587 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1Br ZINC000871811753 656281344 /nfs/dbraw/zinc/28/13/44/656281344.db2.gz RLTAGUVCXIFSKU-LBPRGKRZSA-N 1 0 385.287 1.175 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccnc2OCC(F)F)C[C@@H]1C(F)(F)F ZINC000871813567 656282109 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386.294 1.235 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877272980 656662915 /nfs/dbraw/zinc/66/29/15/656662915.db2.gz BNODOJGSXKIQHQ-QWHCGFSZSA-N 1 0 392.308 1.625 20 0 GDADRO O=C(c1cccn2c(I)cnc12)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877281572 656663518 /nfs/dbraw/zinc/66/35/18/656663518.db2.gz IOJLFBADQWANBH-NWDGAFQWSA-N 1 0 396.232 1.905 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)ccc1Br ZINC000877292187 656664518 /nfs/dbraw/zinc/66/45/18/656664518.db2.gz BJGAMDHFDXQKJG-XYPYZODXSA-N 1 0 375.288 1.852 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000924576143 656666822 /nfs/dbraw/zinc/66/68/22/656666822.db2.gz XZTGCGPVPPEUPZ-UHFFFAOYSA-N 1 0 376.567 1.610 20 0 GDADRO C[C@]12CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877352388 656668434 /nfs/dbraw/zinc/66/84/34/656668434.db2.gz XHUHWZZBOGNOJG-CALCHBBNSA-N 1 0 383.539 1.507 20 0 GDADRO COCC[N@@H+]1CC[C@@H](N2C(=O)N[C@H](c3ccccc3Br)C2=O)C1 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Cc1csc(N2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)CC2)n1 ZINC000925143866 656695806 /nfs/dbraw/zinc/69/58/06/656695806.db2.gz MTGINBIYBQZMKP-LSDHHAIUSA-N 1 0 381.571 1.863 20 0 GDADRO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925215501 656701077 /nfs/dbraw/zinc/70/10/77/656701077.db2.gz QEFMELVFAWRICL-SUMWQHHRSA-N 1 0 385.555 1.034 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000925431965 656711937 /nfs/dbraw/zinc/71/19/37/656711937.db2.gz PMDIWXXBHLAOTH-DZGCQCFKSA-N 1 0 384.318 1.912 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC[C@@H](O)COc1ccc(I)cc1 ZINC000925566137 656714760 /nfs/dbraw/zinc/71/47/60/656714760.db2.gz DVKGHOGQPUPARB-OCCSQVGLSA-N 1 0 390.265 1.761 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cs1)C(N)=O ZINC000878489328 656727925 /nfs/dbraw/zinc/72/79/25/656727925.db2.gz RQFYMTSLZQPXRL-TZMCWYRMSA-N 1 0 384.571 1.888 20 0 GDADRO COCCO[C@H]1C[C@@H](CO)C[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000878521791 656729823 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380.392 1.992 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC000926298404 656746177 /nfs/dbraw/zinc/74/61/77/656746177.db2.gz OHWGYLQIMZWYRR-GXTWGEPZSA-N 1 0 382.302 1.851 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000926298406 656746350 /nfs/dbraw/zinc/74/63/50/656746350.db2.gz OHWGYLQIMZWYRR-OCCSQVGLSA-N 1 0 382.302 1.851 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC[C@H]1C[NH3+] ZINC000926355084 656749477 /nfs/dbraw/zinc/74/94/77/656749477.db2.gz CCBCLIMQRZPJJB-JSGCOSHPSA-N 1 0 394.313 1.777 20 0 GDADRO O=C(C(=O)N1CCSC[C@@H]1c1nccs1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926369821 656750450 /nfs/dbraw/zinc/75/04/50/656750450.db2.gz FGRYDDCARHHQLQ-CXAGYDPISA-N 1 0 380.539 1.504 20 0 GDADRO COC(=O)c1cn(CC[NH2+][C@@H]2CCCc3ncc(Br)cc32)nn1 ZINC000926380903 656750897 /nfs/dbraw/zinc/75/08/97/656750897.db2.gz DVBVMYZHPKHMNL-GFCCVEGCSA-N 1 0 380.246 1.889 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1C[C@@H]3CC[NH2+]C[C@@H]3C1)C2 ZINC000926387417 656751078 /nfs/dbraw/zinc/75/10/78/656751078.db2.gz ITXSIWZUAKIJDS-GXTWGEPZSA-N 1 0 392.297 1.668 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cs1)C(N)=O ZINC000878916073 656759216 /nfs/dbraw/zinc/75/92/16/656759216.db2.gz RUCKFSWPIOPPEV-UONOGXRCSA-N 1 0 384.571 1.840 20 0 GDADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)c1 ZINC000926579037 656766907 /nfs/dbraw/zinc/76/69/07/656766907.db2.gz SFCQBKPCBQPLHH-HNNXBMFYSA-N 1 0 386.901 1.518 20 0 GDADRO COCCN(Cc1csc(CS(C)(=O)=O)n1)CC1CC[NH+](C)CC1 ZINC000879124826 656775968 /nfs/dbraw/zinc/77/59/68/656775968.db2.gz FNRRBAUVWKAGAA-UHFFFAOYSA-N 1 0 375.560 1.478 20 0 GDADRO COCCN(Cc1ccc(S(=O)(=O)N(C)C)s1)CC1CC[NH+](C)CC1 ZINC000879127250 656776100 /nfs/dbraw/zinc/77/61/00/656776100.db2.gz UJOCJPVXIAXFAG-UHFFFAOYSA-N 1 0 389.587 1.789 20 0 GDADRO CCO[C@H](CNC(=O)NC[C@@H](O)c1cccc(Br)c1)C[NH+](C)C ZINC000926845739 656780953 /nfs/dbraw/zinc/78/09/53/656780953.db2.gz QSWAUWOXMGORAH-HUUCEWRRSA-N 1 0 388.306 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ZINC000879422893 656794007 /nfs/dbraw/zinc/79/40/07/656794007.db2.gz ZOQXXMGGSJIIDW-ZDUSSCGKSA-N 1 0 384.571 1.890 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)NCC2(C[NH+](C)C)CCCC2)cs1)C(N)=O ZINC000879474700 656796892 /nfs/dbraw/zinc/79/68/92/656796892.db2.gz CLQNWHIIPOMBCC-GFCCVEGCSA-N 1 0 384.571 1.890 20 0 GDADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612506 656807890 /nfs/dbraw/zinc/80/78/90/656807890.db2.gz CEKOXHQIPUZYHV-RTXFEEFZSA-N 1 0 380.666 1.270 20 0 GDADRO Cn1nc(Br)cc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000879638721 656811277 /nfs/dbraw/zinc/81/12/77/656811277.db2.gz CCGACZNQAJYVMX-GFCCVEGCSA-N 1 0 386.294 1.759 20 0 GDADRO Cn1nc(Br)cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000879641770 656813642 /nfs/dbraw/zinc/81/36/42/656813642.db2.gz DYVDGTMYESYJAP-NWDGAFQWSA-N 1 0 386.294 1.682 20 0 GDADRO Cn1cc(CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)c(Br)n1 ZINC000927624058 656817554 /nfs/dbraw/zinc/81/75/54/656817554.db2.gz NBJRSZYCKUOROL-UHFFFAOYSA-N 1 0 393.289 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389.547 1.060 20 0 GDADRO NS(=O)(=O)c1ccc(N2CC[NH+](CCOC3CCSCC3)CC2)cc1 ZINC000929261337 656956867 /nfs/dbraw/zinc/95/68/67/656956867.db2.gz IWSFNVDFCOFGSP-UHFFFAOYSA-N 1 0 385.555 1.368 20 0 GDADRO CCO[C@@H](CNC(=O)C(=O)NCc1ccc(Br)cc1)C[NH+](C)C ZINC000929302369 656959061 /nfs/dbraw/zinc/95/90/61/656959061.db2.gz QYZIEONHLPVWKN-AWEZNQCLSA-N 1 0 386.290 1.148 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)cn3ncnc23)C1 ZINC000929471453 656968668 /nfs/dbraw/zinc/96/86/68/656968668.db2.gz GTMTULJXYHNQAZ-CYBMUJFWSA-N 1 0 396.289 1.578 20 0 GDADRO CN1CC[NH+](CC2CCN(c3ccc4nnc(Br)n4n3)CC2)CC1 ZINC000881844012 656969282 /nfs/dbraw/zinc/96/92/82/656969282.db2.gz PRWKZFNEOYUXMM-UHFFFAOYSA-N 1 0 394.321 1.351 20 0 GDADRO C[NH+]1CCN(CCNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000929581538 656973508 /nfs/dbraw/zinc/97/35/08/656973508.db2.gz KMDOIOQRSPYYNQ-CQSZACIVSA-N 1 0 395.301 1.239 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1 ZINC000929580490 656973579 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NS(=O)(=O)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000932950864 657235226 /nfs/dbraw/zinc/23/52/26/657235226.db2.gz DDZUJOKXCFTXEN-LLVKDONJSA-N 1 0 390.303 1.388 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000932951462 657235239 /nfs/dbraw/zinc/23/52/39/657235239.db2.gz IKAMINIDBCBXDK-ZDUSSCGKSA-N 1 0 385.917 1.729 20 0 GDADRO O=c1oc2ccc(C[NH2+]C3CCN(S(=O)(=O)C(F)(F)F)CC3)cc2o1 ZINC000883037134 657266165 /nfs/dbraw/zinc/26/61/65/657266165.db2.gz LOCSWWPENHBCLE-UHFFFAOYSA-N 1 0 380.344 1.790 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000883449385 657287630 /nfs/dbraw/zinc/28/76/30/657287630.db2.gz NQRJNMZVKCWGEI-GFCCVEGCSA-N 1 0 375.441 1.695 20 0 GDADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000883471672 657289990 /nfs/dbraw/zinc/28/99/90/657289990.db2.gz VJFFGBGYQQNIBZ-CYBMUJFWSA-N 1 0 385.452 1.320 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000883472906 657290292 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C[C@@H]1CN(C(=O)NCc2c(Br)cnn2C)CCN1c1cc[nH+]cc1 ZINC000883752408 657309810 /nfs/dbraw/zinc/30/98/10/657309810.db2.gz NPYHBMPVFUNFSH-GFCCVEGCSA-N 1 0 393.289 1.998 20 0 GDADRO Cn1ncc(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1I ZINC000933742501 657316258 /nfs/dbraw/zinc/31/62/58/657316258.db2.gz FBIVQZHVSYQTLW-ONGXEEELSA-N 1 0 389.241 1.583 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCC[C@H](N2CCNC2=O)C1)c1ccc(Br)cc1 ZINC000884106232 657325882 /nfs/dbraw/zinc/32/58/82/657325882.db2.gz KYIHQKSDCYKYEP-UONOGXRCSA-N 1 0 381.274 1.465 20 0 GDADRO Cc1ccc(NC(=O)C[N@@H+]2CCCSC[C@H]2C2CC2)cc1S(N)(=O)=O ZINC000933915586 657326298 /nfs/dbraw/zinc/32/62/98/657326298.db2.gz JPIYZCPZGSHBQW-HNNXBMFYSA-N 1 0 383.539 1.798 20 0 GDADRO CN(C)C(=O)Cn1cc(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)cn1 ZINC000884122612 657327584 /nfs/dbraw/zinc/32/75/84/657327584.db2.gz WAAATKRUGZJNOS-AWEZNQCLSA-N 1 0 380.246 1.372 20 0 GDADRO N[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000884230422 657337302 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GDADRO COCC[C@H]([NH3+])C(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000884369527 657350694 /nfs/dbraw/zinc/35/06/94/657350694.db2.gz HADDUHYVZGGUEO-ILXRZTDVSA-N 1 0 399.285 1.528 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1c(Br)cnn1C1CC1 ZINC000934368516 657357125 /nfs/dbraw/zinc/35/71/25/657357125.db2.gz GNBLBZHQMPXHDJ-SNVBAGLBSA-N 1 0 399.293 1.564 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cn2ncnc12 ZINC000934389770 657359805 /nfs/dbraw/zinc/35/98/05/657359805.db2.gz WHGFCJZGWXCQPX-GFCCVEGCSA-N 1 0 384.278 1.578 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000884587085 657365983 /nfs/dbraw/zinc/36/59/83/657365983.db2.gz ZUGDSKFSAVBYLS-RYUDHWBXSA-N 1 0 380.286 1.545 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)C[C@H]1C(F)(F)F ZINC000884594051 657366441 /nfs/dbraw/zinc/36/64/41/657366441.db2.gz ZDHXOWNBMZHEGW-JCIQBVFBSA-N 1 0 397.488 1.078 20 0 GDADRO CSCC(C)(C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000934671108 657371136 /nfs/dbraw/zinc/37/11/36/657371136.db2.gz VSRYUJNRDKUUHT-UHFFFAOYSA-N 1 0 394.584 1.442 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C1 ZINC000884685871 657371246 /nfs/dbraw/zinc/37/12/46/657371246.db2.gz RVLLGSOXVVUOJV-UWVGGRQHSA-N 1 0 375.803 1.944 20 0 GDADRO CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934750290 657373576 /nfs/dbraw/zinc/37/35/76/657373576.db2.gz NXVCSXKGDQNSNH-SGANQWHYSA-N 1 0 376.567 1.204 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000884716850 657374691 /nfs/dbraw/zinc/37/46/91/657374691.db2.gz KVQYCLDOWMBLRP-IUODEOHRSA-N 1 0 394.313 1.711 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC23CCSCC3)C[C@@H]1C(F)(F)F ZINC000884727608 657376220 /nfs/dbraw/zinc/37/62/20/657376220.db2.gz WXFFUWRWCZBZNJ-WOPDTQHZSA-N 1 0 379.448 1.232 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)NC[C@H]1CC13CCSCC3)C2 ZINC000884727272 657376277 /nfs/dbraw/zinc/37/62/77/657376277.db2.gz PNFBBJYQQKZNHF-LLVKDONJSA-N 1 0 380.539 1.136 20 0 GDADRO C[C@]1(CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@]1(F)Cl ZINC000884742889 657376848 /nfs/dbraw/zinc/37/68/48/657376848.db2.gz VGBZOGYEDVWOAK-PVUWLOKVSA-N 1 0 375.872 1.082 20 0 GDADRO COC[C@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)c1cccc(Br)c1 ZINC000884782994 657379492 /nfs/dbraw/zinc/37/94/92/657379492.db2.gz VSAAMJOIXZOEMT-AWEZNQCLSA-N 1 0 398.301 1.641 20 0 GDADRO O=S1(=O)CC[C@@H](C[NH2+][C@@H](CO)c2ccccc2I)C1 ZINC000934829213 657382276 /nfs/dbraw/zinc/38/22/76/657382276.db2.gz ZUXDWKGOPBJGJL-GWCFXTLKSA-N 1 0 395.262 1.349 20 0 GDADRO CC1(C)CC[C@H](CNC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)[NH2+]C1 ZINC000884876580 657383504 /nfs/dbraw/zinc/38/35/04/657383504.db2.gz HCBCEKDSOGKLNC-CHWSQXEVSA-N 1 0 382.555 1.654 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884950788 657389192 /nfs/dbraw/zinc/38/91/92/657389192.db2.gz RKOAHHHMRBWDJC-CABCVRRESA-N 1 0 386.539 1.612 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2C1 ZINC000884959660 657390927 /nfs/dbraw/zinc/39/09/27/657390927.db2.gz NLGGGUMUKFOWGU-CABCVRRESA-N 1 0 383.539 1.558 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1=O ZINC000935018771 657392577 /nfs/dbraw/zinc/39/25/77/657392577.db2.gz PWEQEXTUVRVCLP-UGFHNGPFSA-N 1 0 398.301 1.472 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000935052899 657396235 /nfs/dbraw/zinc/39/62/35/657396235.db2.gz RSCZQQMILROPCE-KRWDZBQOSA-N 1 0 395.301 1.736 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2cc(=O)[nH]cc2Br)ccc1=O ZINC000935085086 657400136 /nfs/dbraw/zinc/40/01/36/657400136.db2.gz KSMPIOBLQOJEOK-UHFFFAOYSA-N 1 0 381.230 1.525 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)C[C@H]2CCCC(C)(C)O2)CC1 ZINC000885032722 657410961 /nfs/dbraw/zinc/41/09/61/657410961.db2.gz CLMCDJVTFRNPCU-DLBZAZTESA-N 1 0 375.579 1.527 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2ncc(Br)s2)CC1 ZINC000885033102 657411560 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[NH3+][C@H]1C[C@@H](CNC(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000892562858 658333654 /nfs/dbraw/zinc/33/36/54/658333654.db2.gz NMYNZJZXKNIDRW-JNSHFYNHSA-N 1 0 395.301 1.654 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(C(F)(F)F)s2)C1 ZINC000892701989 658344342 /nfs/dbraw/zinc/34/43/42/658344342.db2.gz XFNFZXQXDAEJAR-JTQLQIEISA-N 1 0 378.420 1.763 20 0 GDADRO Cc1cncc(Br)c1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000892700266 658344590 /nfs/dbraw/zinc/34/45/90/658344590.db2.gz ROPDZXSLOQSVRK-UONOGXRCSA-N 1 0 392.301 1.982 20 0 GDADRO C[C@@]1(NC(=O)c2cc(Cn3cc(Br)cn3)on2)C[NH+]2CCC1CC2 ZINC000892778257 658349340 /nfs/dbraw/zinc/34/93/40/658349340.db2.gz VTSDPMLGENZAFH-MRXNPFEDSA-N 1 0 394.273 1.896 20 0 GDADRO CN(Cc1csc(C(C)(C)O)n1)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892879022 658357273 /nfs/dbraw/zinc/35/72/73/658357273.db2.gz JNUDSMCZBHMIHI-UHFFFAOYSA-N 1 0 381.527 1.896 20 0 GDADRO C[C@@H](N1CCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC1)C(F)(F)F ZINC000892880885 658358166 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COC(=O)C[C@](C)([NH2+]Cc1c(I)cnn1C)C1CC1 ZINC000895451340 658699687 /nfs/dbraw/zinc/69/96/87/658699687.db2.gz IEBLBACIXKQAAM-ZDUSSCGKSA-N 1 0 377.226 1.846 20 0 GDADRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1S(C)(=O)=O ZINC000895510473 658706944 /nfs/dbraw/zinc/70/69/44/658706944.db2.gz DZKFTLNIVUGWKN-GOEBONIOSA-N 1 0 383.495 1.215 20 0 GDADRO Cc1nn(C)c(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1Br ZINC000895550478 658710435 /nfs/dbraw/zinc/71/04/35/658710435.db2.gz JHICIDCNYMZAKA-UHFFFAOYSA-N 1 0 398.349 1.797 20 0 GDADRO CCO/C=C\[C@](O)(C[NH2+]Cc1cccc(NS(C)(=O)=O)c1)C(F)(F)F ZINC000895705551 658722430 /nfs/dbraw/zinc/72/24/30/658722430.db2.gz ANQRAESFDQPWEE-DANTVBBOSA-N 1 0 382.404 1.991 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]nc1I)[N@@H+]1CCC[C@@H](C)C1 ZINC000895728902 658724457 /nfs/dbraw/zinc/72/44/57/658724457.db2.gz BANNWQMTDNSKIR-ZJUUUORDSA-N 1 0 376.242 1.865 20 0 GDADRO CCOc1cc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc(Br)c1O ZINC000895770787 658728079 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C[C@H](NC(=O)c1cc(Br)cc(N(C)C)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896539552 658786588 /nfs/dbraw/zinc/78/65/88/658786588.db2.gz QNCWKRSXVPPLRF-LRDDRELGSA-N 1 0 383.334 1.879 20 0 GDADRO C[C@@H](NC(=O)c1[nH]nc2ccc(Br)cc21)[C@@H]1C[N@H+](C)CCN1C ZINC000896560635 658789544 /nfs/dbraw/zinc/78/95/44/658789544.db2.gz RVWSVOWQBOULDR-YGRLFVJLSA-N 1 0 380.290 1.690 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000897353022 658846215 /nfs/dbraw/zinc/84/62/15/658846215.db2.gz BUIWYVBPJPNTSO-XHDPSFHLSA-N 1 0 381.270 1.941 20 0 GDADRO COC(=O)c1ccc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c(Br)c1 ZINC000897513007 658859170 /nfs/dbraw/zinc/85/91/70/658859170.db2.gz GTPHJDYTQFPKAW-CQSZACIVSA-N 1 0 397.269 1.573 20 0 GDADRO C[C@@H]1C[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1CS(N)(=O)=O ZINC000897607936 658872729 /nfs/dbraw/zinc/87/27/29/658872729.db2.gz RULWJQJRWQPSMV-JKIFEVAISA-N 1 0 375.535 1.490 20 0 GDADRO O=C(NC[C@@H](O)c1cccc(Br)c1)C1C[NH+](C2CCOCC2)C1 ZINC000897690042 658880075 /nfs/dbraw/zinc/88/00/75/658880075.db2.gz NNGVREUNOZDUTJ-MRXNPFEDSA-N 1 0 383.286 1.710 20 0 GDADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3cscc3Cl)C2)CC1 ZINC000897720855 658883481 /nfs/dbraw/zinc/88/34/81/658883481.db2.gz DWKZHONXDKMBRY-ZDUSSCGKSA-N 1 0 384.933 1.302 20 0 GDADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000897746993 658886209 /nfs/dbraw/zinc/88/62/09/658886209.db2.gz ARCOODAMUKITDH-DZGCQCFKSA-N 1 0 380.539 1.084 20 0 GDADRO CSC1(CNC(=O)c2c[nH]nc2I)CC[NH+](C)CC1 ZINC000897797612 658891466 /nfs/dbraw/zinc/89/14/66/658891466.db2.gz RIMSWHRGVAAJGN-UHFFFAOYSA-N 1 0 394.282 1.572 20 0 GDADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CCS(=O)(=O)N1CCCC1)CC(F)F ZINC000897828099 658892710 /nfs/dbraw/zinc/89/27/10/658892710.db2.gz OOXDKWDGROPVBV-LBPRGKRZSA-N 1 0 385.477 1.550 20 0 GDADRO Cn1cc([C@]2(C[NH2+]Cc3ccc(Cl)c(S(N)(=O)=O)c3)CCCO2)cn1 ZINC000898054231 658912920 /nfs/dbraw/zinc/91/29/20/658912920.db2.gz SQOMRBVGZJZYFJ-MRXNPFEDSA-N 1 0 384.889 1.516 20 0 GDADRO Cn1ncc(Br)c1C[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898367296 658928790 /nfs/dbraw/zinc/92/87/90/658928790.db2.gz BTJOPJHPFBGSGW-MRVPVSSYSA-N 1 0 387.669 1.700 20 0 GDADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCOc2cccc(Br)c2C1 ZINC000898438318 658936135 /nfs/dbraw/zinc/93/61/35/658936135.db2.gz IDLWHKYNGHKMMV-CYBMUJFWSA-N 1 0 381.270 1.891 20 0 GDADRO O=C(NCc1cscc1Cl)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000898587684 658941180 /nfs/dbraw/zinc/94/11/80/658941180.db2.gz PTKBQGFZRIZUKP-UHFFFAOYSA-N 1 0 385.917 1.589 20 0 GDADRO Cn1ncc(I)c1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898831766 658960925 /nfs/dbraw/zinc/96/09/25/658960925.db2.gz UPNDTFXVLMOAIE-WDEREUQCSA-N 1 0 388.253 1.627 20 0 GDADRO C[NH+]1CCC(CNC(=S)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000899570471 659030611 /nfs/dbraw/zinc/03/06/11/659030611.db2.gz MCTQRHTXMNGSPC-UHFFFAOYSA-N 1 0 386.363 1.941 20 0 GDADRO C[NH+]1CCC(NC(=S)NCc2cccc(NS(=O)(=O)C3CC3)c2)CC1 ZINC000899707847 659048623 /nfs/dbraw/zinc/04/86/23/659048623.db2.gz ZSKSZXVRVVESRU-UHFFFAOYSA-N 1 0 382.555 1.649 20 0 GDADRO C[N@H+](CCO)CCNC(=O)c1ccc(I)c(Cl)c1 ZINC000899735093 659056421 /nfs/dbraw/zinc/05/64/21/659056421.db2.gz WOAJEAAZOLNBBS-UHFFFAOYSA-N 1 0 382.629 1.599 20 0 GDADRO C[N@H+](CCO)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000899734075 659056898 /nfs/dbraw/zinc/05/68/98/659056898.db2.gz UCOBUJDXUNRTIV-UHFFFAOYSA-N 1 0 385.237 1.428 20 0 GDADRO O[C@H](C[NH2+]C[C@@H](O)C1(O)CCOCC1)COc1cccc(Cl)c1Cl ZINC000899875444 659063303 /nfs/dbraw/zinc/06/33/03/659063303.db2.gz GDHKTTDLDPYWFO-BXUZGUMPSA-N 1 0 380.268 1.225 20 0 GDADRO COCc1csc(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)c1 ZINC000899890770 659064328 /nfs/dbraw/zinc/06/43/28/659064328.db2.gz CIKIOZYYSXVJQR-HNNXBMFYSA-N 1 0 390.571 1.986 20 0 GDADRO O=C([C@H](O)c1cccc(Br)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023175 659083964 /nfs/dbraw/zinc/08/39/64/659083964.db2.gz HXVZPWHKRHQOHB-QGZVFWFLSA-N 1 0 396.329 1.723 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CSc1ccc(S(N)(=O)=O)cc1)c1ccsc1 ZINC000900136213 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VRPDSYCLEYNFBV-UHFFFAOYSA-N 1 0 377.304 1.719 20 0 GDADRO O=S(=O)(c1cccc(Br)c1)N1CC[NH2+]CCC12CCOCC2 ZINC000903547413 659336755 /nfs/dbraw/zinc/33/67/55/659336755.db2.gz LXJLIMGZDTYMJI-UHFFFAOYSA-N 1 0 389.315 1.982 20 0 GDADRO O=S(=O)(c1cccc(Cl)c1[O-])N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562410 659341602 /nfs/dbraw/zinc/34/16/02/659341602.db2.gz MJNCWYJGUCRBAM-OKILXGFUSA-N 1 0 385.917 1.635 20 0 GDADRO Cc1cc(S(=O)(=O)NCCN2CCC([NH3+])CC2)ccc1Br ZINC000903565747 659343105 /nfs/dbraw/zinc/34/31/05/659343105.db2.gz DAHZVHHMCNBNOA-UHFFFAOYSA-N 1 0 376.320 1.459 20 0 GDADRO COc1ccc(S(=O)(=O)NCCN2CCC([NH3+])CC2)cc1Br ZINC000903568081 659343765 /nfs/dbraw/zinc/34/37/65/659343765.db2.gz HLTFIKMZCQGWAK-UHFFFAOYSA-N 1 0 392.319 1.159 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000903575173 659346348 /nfs/dbraw/zinc/34/63/48/659346348.db2.gz GPPVHKZGIWQSJC-VIFPVBQESA-N 1 0 395.275 1.591 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccnc2OCC(F)F)CC[C@H]1C(F)(F)F 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1.960 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1cc(Br)cnc1Cl ZINC000903592997 659357192 /nfs/dbraw/zinc/35/71/92/659357192.db2.gz UKQVLTHDXXWDLD-PRHODGIISA-N 1 0 380.695 1.999 20 0 GDADRO O=C(C(=O)N1CCS[C@H](C(F)(F)F)C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000903764931 659379425 /nfs/dbraw/zinc/37/94/25/659379425.db2.gz OAWSCRZBCCOXLE-ZDUSSCGKSA-N 1 0 379.448 1.483 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C[C@@H](C)[NH2+]1 ZINC000903798366 659381159 /nfs/dbraw/zinc/38/11/59/659381159.db2.gz BGEBZGXTZWFILJ-JMSVASOKSA-N 1 0 395.301 1.716 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)N(C)Cc1csc(Br)c1)C(C)C ZINC000903809353 659382225 /nfs/dbraw/zinc/38/22/25/659382225.db2.gz QWVUDWJAGNMRNB-UHFFFAOYSA-N 1 0 376.320 1.925 20 0 GDADRO O=C1NCCN(CC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(I)cc1 ZINC000903825635 659382501 /nfs/dbraw/zinc/38/25/01/659382501.db2.gz BSDTVFNUYMTWCF-SWLSCSKDSA-N 1 0 399.276 1.764 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1cc(Br)ccc1Cl ZINC000903967633 659390221 /nfs/dbraw/zinc/39/02/21/659390221.db2.gz DQZPZQUXILHGFB-LBPRGKRZSA-N 1 0 381.723 1.969 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(CSc3ccc(F)cc3)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000904081489 659394686 /nfs/dbraw/zinc/39/46/86/659394686.db2.gz ZYGCLWBUUWSSEA-GDLCADMTSA-N 1 0 383.470 1.676 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc([C@@H]3CSc4ccccc43)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904123350 659395925 /nfs/dbraw/zinc/39/59/25/659395925.db2.gz KYEOCVCOYIFHIJ-MUYACECFSA-N 1 0 377.491 1.482 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000904406440 659400303 /nfs/dbraw/zinc/40/03/03/659400303.db2.gz VEFDSFBPLGWZHR-NSHDSACASA-N 1 0 377.413 1.480 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000904472009 659401911 /nfs/dbraw/zinc/40/19/11/659401911.db2.gz DHKUDTIOOSLKOR-SNVBAGLBSA-N 1 0 380.246 1.844 20 0 GDADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904539206 659403427 /nfs/dbraw/zinc/40/34/27/659403427.db2.gz LYGOUXCEGAQGCC-IVZWLZJFSA-N 1 0 381.230 1.794 20 0 GDADRO C[C@@H]1C[C@H](c2noc(-c3cc(Br)cn(CC[NH3+])c3=O)n2)CCO1 ZINC000904626136 659404570 /nfs/dbraw/zinc/40/45/70/659404570.db2.gz OVUDRWIKQBOZFJ-NXEZZACHSA-N 1 0 383.246 1.902 20 0 GDADRO CCS(=O)(=O)Cc1noc(C[C@@H]([NH3+])Cc2ccc(Br)cc2)n1 ZINC000904640121 659405067 /nfs/dbraw/zinc/40/50/67/659405067.db2.gz ZOFOQEJVYUBDNT-LBPRGKRZSA-N 1 0 388.287 1.879 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905000016 659416144 /nfs/dbraw/zinc/41/61/44/659416144.db2.gz IBQFWEOOUGZQQF-BMIGLBTASA-N 1 0 386.315 1.809 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CCC2(O)CCC2)s1 ZINC000905029936 659417763 /nfs/dbraw/zinc/41/77/63/659417763.db2.gz DOVDQUNVAVKAGV-CQSZACIVSA-N 1 0 390.571 1.924 20 0 GDADRO C[C@](O)(C[NH2+]CCNS(=O)(=O)Cc1ccccc1)C(F)(F)C(F)(F)F ZINC000905035831 659418283 /nfs/dbraw/zinc/41/82/83/659418283.db2.gz QGBAEEZWDYVJTF-LBPRGKRZSA-N 1 0 390.374 1.644 20 0 GDADRO [NH3+]C1CCN(Cc2cn(Cc3ccccc3I)nn2)CC1 ZINC000905056676 659419172 /nfs/dbraw/zinc/41/91/72/659419172.db2.gz BSLJDFQJONUBIX-UHFFFAOYSA-N 1 0 397.264 1.854 20 0 GDADRO O=C(CC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)Nc1ccc(Br)cc1 ZINC000905059632 659419707 /nfs/dbraw/zinc/41/97/07/659419707.db2.gz PXVVFJKFOPEBGM-HOCLYGCPSA-N 1 0 387.274 1.270 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905103085 659424057 /nfs/dbraw/zinc/42/40/57/659424057.db2.gz XKSSBEOQSJWJEB-MRXNPFEDSA-N 1 0 388.295 1.697 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)CCC2(O)CCC2)c(C)s1 ZINC000905177767 659429866 /nfs/dbraw/zinc/42/98/66/659429866.db2.gz QCQRDEMMWPMHBY-CQSZACIVSA-N 1 0 376.544 1.289 20 0 GDADRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC000905195651 659431783 /nfs/dbraw/zinc/43/17/83/659431783.db2.gz PDDLVVXURSUUSZ-PMPSAXMXSA-N 1 0 376.563 1.781 20 0 GDADRO C[C@](O)(C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)C(F)(F)C(F)(F)F ZINC000905200548 659432104 /nfs/dbraw/zinc/43/21/04/659432104.db2.gz LRWAKLPLOQHSRV-OUAUKWLOSA-N 1 0 381.363 1.261 20 0 GDADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)nc12 ZINC000905209999 659433373 /nfs/dbraw/zinc/43/33/73/659433373.db2.gz SGOYNVDBDMEQQU-RDJZCZTQSA-N 1 0 398.301 1.440 20 0 GDADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)nc12 ZINC000905212113 659433740 /nfs/dbraw/zinc/43/37/40/659433740.db2.gz IXAOMMIMEZOKNU-GDBMZVCRSA-N 1 0 384.274 1.397 20 0 GDADRO C[C@@](O)(C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)C(F)F ZINC000905257691 659437818 /nfs/dbraw/zinc/43/78/18/659437818.db2.gz VOXMVJBPLCFXQO-GFCCVEGCSA-N 1 0 377.240 1.877 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCOc2cccc(Br)c2C1 ZINC000905346135 659444988 /nfs/dbraw/zinc/44/49/88/659444988.db2.gz QBFCDFUZQAGCHC-UHFFFAOYSA-N 1 0 389.315 1.973 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)CCC1 ZINC000905358343 659446712 /nfs/dbraw/zinc/44/67/12/659446712.db2.gz DMEMXIODXRQWAF-ZMSDIMECSA-N 1 0 376.563 1.519 20 0 GDADRO OC[C@H](C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)Cc1cccc(Br)c1 ZINC000905365525 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Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001571271708 945647903 /nfs/dbraw/zinc/64/79/03/945647903.db2.gz HYWLRUWAOKGZIJ-GDBMZVCRSA-N 1 0 386.504 1.559 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2C)n(C)n1 ZINC001571271731 945648186 /nfs/dbraw/zinc/64/81/86/945648186.db2.gz IJMKUQXTTNJWGL-NEPJUHHUSA-N 1 0 386.485 1.363 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821189300 945648403 /nfs/dbraw/zinc/64/84/03/945648403.db2.gz KMZAINLYHPWTJF-QGZVFWFLSA-N 1 0 387.488 1.238 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)COc2ccccc2-c2nn[nH]n2)C1 ZINC000821188773 945649719 /nfs/dbraw/zinc/64/97/19/945649719.db2.gz CMWSLCZCBPOVCE-HNNXBMFYSA-N 1 0 388.472 1.205 20 0 GDADRO Cc1csc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001571271788 945650142 /nfs/dbraw/zinc/65/01/42/945650142.db2.gz JSEUVIPXOCFTGD-RYUDHWBXSA-N 1 0 386.485 1.791 20 0 GDADRO Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](C)C2)s1 ZINC001571271841 945651955 /nfs/dbraw/zinc/65/19/55/945651955.db2.gz KXGZJTYANWZJFD-GXFFZTMASA-N 1 0 386.485 1.743 20 0 GDADRO Cc1cnc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H](C)C2)s1 ZINC001571271842 945652117 /nfs/dbraw/zinc/65/21/17/945652117.db2.gz KXGZJTYANWZJFD-MFKMUULPSA-N 1 0 386.485 1.743 20 0 GDADRO Cc1cnn(C)c1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272078 945653651 /nfs/dbraw/zinc/65/36/51/945653651.db2.gz OVESMCBNULNECF-GFCCVEGCSA-N 1 0 386.485 1.222 20 0 GDADRO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)sn1 ZINC001571272779 945672218 /nfs/dbraw/zinc/67/22/18/945672218.db2.gz ZWENCFSZVCMORD-NEPJUHHUSA-N 1 0 386.485 1.600 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(Cl)[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571275528 945707697 /nfs/dbraw/zinc/70/76/97/945707697.db2.gz VTRMHJPXYWMXPM-LLVKDONJSA-N 1 0 386.847 1.950 20 0 GDADRO Cc1nocc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281652 945810979 /nfs/dbraw/zinc/81/09/79/945810979.db2.gz KUEKTNSQFUXJCF-GFCCVEGCSA-N 1 0 387.469 1.867 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001571281786 945811799 /nfs/dbraw/zinc/81/17/99/945811799.db2.gz NTHPWVVKLLHNMU-GXFFZTMASA-N 1 0 387.473 1.219 20 0 GDADRO Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)s1 ZINC001571282260 945834903 /nfs/dbraw/zinc/83/49/03/945834903.db2.gz WDXCNYZJIQURSF-CMPLNLGQSA-N 1 0 387.473 1.043 20 0 GDADRO CCc1nc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)co1 ZINC001571282432 945840900 /nfs/dbraw/zinc/84/09/00/945840900.db2.gz YIKOIDPZGVDZKA-LLVKDONJSA-N 1 0 387.469 1.873 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571282788 945862012 /nfs/dbraw/zinc/86/20/12/945862012.db2.gz QYGMLDJHUYXOBP-BBRMVZONSA-N 1 0 387.463 1.893 20 0 GDADRO O=C(NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[C@H]1Cc2ccccc21 ZINC001571282980 945869518 /nfs/dbraw/zinc/86/95/18/945869518.db2.gz XGERWXDAFSNQQX-UOVPBQLFSA-N 1 0 387.447 1.400 20 0 GDADRO C[N@H+](CC[C@H]1CCCCO1)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571283727 945891184 /nfs/dbraw/zinc/89/11/84/945891184.db2.gz IMFXDOARHZTFIQ-MRXNPFEDSA-N 1 0 387.488 1.690 20 0 GDADRO CC[C@@H](C(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[nH]n1)[NH+](C)C ZINC001571284859 945905341 /nfs/dbraw/zinc/90/53/41/945905341.db2.gz VCIZOOWOXGGCQI-KGLIPLIRSA-N 1 0 387.492 1.180 20 0 GDADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC001571286601 945952100 /nfs/dbraw/zinc/95/21/00/945952100.db2.gz LZRRIUNMQUUWNQ-GFCCVEGCSA-N 1 0 388.432 1.204 20 0 GDADRO O=C(NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1cnns1 ZINC001571286594 945952330 /nfs/dbraw/zinc/95/23/30/945952330.db2.gz LVPWPDJRAAMFOK-UHFFFAOYSA-N 1 0 388.432 1.156 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571287390 945970428 /nfs/dbraw/zinc/97/04/28/945970428.db2.gz CQEMHYHEWNFUQM-CSMYWGQOSA-N 1 0 388.447 1.511 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)F)C[C@H]2C1 ZINC001571287236 945970461 /nfs/dbraw/zinc/97/04/61/945970461.db2.gz BJXGTFLRCVRDKN-GASCZTMLSA-N 1 0 388.447 1.514 20 0 GDADRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001571287416 945973530 /nfs/dbraw/zinc/97/35/30/945973530.db2.gz DHRDUTJURMCFKB-MRRJBJDNSA-N 1 0 388.447 1.369 20 0 GDADRO CC(C)[C@@H](O)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)c(F)c1)C2 ZINC001571288540 945989005 /nfs/dbraw/zinc/98/90/05/945989005.db2.gz QAJBALJTJYJONM-MRXNPFEDSA-N 1 0 388.447 1.057 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000822216258 945998901 /nfs/dbraw/zinc/99/89/01/945998901.db2.gz KNAOGFBQNYFVQU-CVEARBPZSA-N 1 0 397.483 1.587 20 0 GDADRO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)CC[N@@H+]1C ZINC001571289459 946006935 /nfs/dbraw/zinc/00/69/35/946006935.db2.gz FCEZJWWWRQSLSR-MHDGFBEUSA-N 1 0 388.451 1.048 20 0 GDADRO COc1ccc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)o1 ZINC001571289925 946023931 /nfs/dbraw/zinc/02/39/31/946023931.db2.gz PWMIHWBYYIKLBH-NSHDSACASA-N 1 0 388.453 1.924 20 0 GDADRO CC(=O)N[C@H](C)C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)CC(C)C ZINC001573478740 946150471 /nfs/dbraw/zinc/15/04/71/946150471.db2.gz YCBXMOLBPICXLM-CXAGYDPISA-N 1 0 387.488 1.012 20 0 GDADRO O=C(c1cccnn1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571297832 946199835 /nfs/dbraw/zinc/19/98/35/946199835.db2.gz AOQWUJMRIJOKSW-SJORKVTESA-N 1 0 390.451 1.536 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C(C)C ZINC001571298499 946219019 /nfs/dbraw/zinc/21/90/19/946219019.db2.gz PLUVKZNPALVDMT-RHSMWYFYSA-N 1 0 390.463 1.757 20 0 GDADRO Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)c1-c1nn[nH]n1 ZINC001571298568 946221994 /nfs/dbraw/zinc/22/19/94/946221994.db2.gz BAZIZRUPYAFBBI-RTXFEEFZSA-N 1 0 390.517 1.232 20 0 GDADRO Cc1cc(N2CC[C@@]3(NC(=O)c4cccnc4)CCC[C@@H]23)c(-c2nn[nH]n2)c[nH+]1 ZINC001571298858 946229356 /nfs/dbraw/zinc/22/93/56/946229356.db2.gz LAOXQZHWOVCMCR-XLIONFOSSA-N 1 0 390.451 1.897 20 0 GDADRO Cc1nccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)n1 ZINC001571298923 946232245 /nfs/dbraw/zinc/23/22/45/946232245.db2.gz LTBXAMDVKHAOGY-FUHWJXTLSA-N 1 0 390.451 1.312 20 0 GDADRO Cc1cnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@@H]3C2)cn1 ZINC001571298932 946233451 /nfs/dbraw/zinc/23/34/51/946233451.db2.gz LZNISSUBKSWEDA-CALCHBBNSA-N 1 0 390.451 1.169 20 0 GDADRO Cc1nsc(NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1-c1nn[nH]n1 ZINC001571298863 946234054 /nfs/dbraw/zinc/23/40/54/946234054.db2.gz FRFHKBJLSXETSF-JHJVBQTASA-N 1 0 390.517 1.375 20 0 GDADRO O=C(c1csnn1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299340 946245181 /nfs/dbraw/zinc/24/51/81/946245181.db2.gz LESSLMNBQINOKU-SNVBAGLBSA-N 1 0 390.498 1.422 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3ncc(Cl)s3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571299361 946248392 /nfs/dbraw/zinc/24/83/92/946248392.db2.gz LQJZNEIEJZLSQN-VIFPVBQESA-N 1 0 390.860 1.429 20 0 GDADRO O=C(NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1scnc1Cl ZINC001571299958 946267331 /nfs/dbraw/zinc/26/73/31/946267331.db2.gz SGDSFSFZAOHJMT-UHFFFAOYSA-N 1 0 390.860 1.414 20 0 GDADRO O=C(NC1CC1)c1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000823144110 946328575 /nfs/dbraw/zinc/32/85/75/946328575.db2.gz ABPQVAMTNVDJNP-UHFFFAOYSA-N 1 0 378.436 1.928 20 0 GDADRO Cc1cnccc1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571306387 946398743 /nfs/dbraw/zinc/39/87/43/946398743.db2.gz UZHNPMGMDWFASP-LJQANCHMSA-N 1 0 391.479 1.893 20 0 GDADRO CN(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC001571306774 946408867 /nfs/dbraw/zinc/40/88/67/946408867.db2.gz PQJJZYZTHLAXJV-GOSISDBHSA-N 1 0 391.479 1.937 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@]2(NC(=O)C(F)F)CCC[C@H]12 ZINC001571307918 946426564 /nfs/dbraw/zinc/42/65/64/946426564.db2.gz JYKYODUNGDENGT-KSSFIOAISA-N 1 0 392.410 1.754 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001571307860 946427788 /nfs/dbraw/zinc/42/77/88/946427788.db2.gz IBRQQQCFAWKBAE-ZDUSSCGKSA-N 1 0 392.410 1.611 20 0 GDADRO O=C([C@H]1CCC1(F)F)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571308278 946431452 /nfs/dbraw/zinc/43/14/52/946431452.db2.gz NONDNUKAXYEIGT-HUUCEWRRSA-N 1 0 392.410 1.229 20 0 GDADRO O=C(N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@@]1(F)CCOC1 ZINC001571308400 946433627 /nfs/dbraw/zinc/43/36/27/946433627.db2.gz PPOASOJZEINAKC-RDTXWAMCSA-N 1 0 392.410 1.215 20 0 GDADRO O=C(NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1ocnc1C1CC1 ZINC001571309814 946455055 /nfs/dbraw/zinc/45/50/55/946455055.db2.gz LOBVWUYYEGZENX-DEZZGGKRSA-N 1 0 392.423 1.239 20 0 GDADRO O=C(N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2)[C@]1(F)CCOC1 ZINC001571310295 946468382 /nfs/dbraw/zinc/46/83/82/946468382.db2.gz ARUUQEFGJMEQHX-KRWDZBQOSA-N 1 0 392.460 1.091 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1coc(-c3ccccc3)n1)C2 ZINC000823766696 946478384 /nfs/dbraw/zinc/47/83/84/946478384.db2.gz HPQSCBHXSCJVEZ-LBPRGKRZSA-N 1 0 377.412 1.550 20 0 GDADRO C[C@H](C(=O)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1)n1cccc1 ZINC001571310811 946479573 /nfs/dbraw/zinc/47/95/73/946479573.db2.gz NQESFYFDKRNBBM-QRWLVFNGSA-N 1 0 392.467 1.753 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571312741 946499627 /nfs/dbraw/zinc/49/96/27/946499627.db2.gz CEFCPPJEMDKFBI-RDTXWAMCSA-N 1 0 392.467 1.226 20 0 GDADRO CN(C)c1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571312750 946499858 /nfs/dbraw/zinc/49/98/58/946499858.db2.gz CNEJHJZREABMSC-HWWDLCQESA-N 1 0 392.467 1.121 20 0 GDADRO CCc1ncncc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571312974 946508615 /nfs/dbraw/zinc/50/86/15/946508615.db2.gz GMYOJEFNHORIBN-HNNXBMFYSA-N 1 0 392.467 1.566 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)CCc1ncccn1 ZINC001571313280 946517351 /nfs/dbraw/zinc/51/73/51/946517351.db2.gz LKMWFNQLKKZGNN-PBHICJAKSA-N 1 0 392.467 1.369 20 0 GDADRO Cc1nc[nH]c1CC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571313528 946525942 /nfs/dbraw/zinc/52/59/42/946525942.db2.gz QXTUPCCUBBRLIZ-UHFFFAOYSA-N 1 0 392.467 1.175 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cn3c(n2)CCC3)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571313693 946530148 /nfs/dbraw/zinc/53/01/48/946530148.db2.gz TYNAMQVNBOWHAU-CJNGLKHVSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@H]1CN(C(=O)CCc2ccccn2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571313999 946539426 /nfs/dbraw/zinc/53/94/26/946539426.db2.gz YPLUPFUHRCTBLO-GJZGRUSLSA-N 1 0 392.467 1.218 20 0 GDADRO Cc1ccc(C(=O)NC[C@@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C)cn1 ZINC001571316055 946563066 /nfs/dbraw/zinc/56/30/66/946563066.db2.gz SPVUQOLJVNWOJQ-MLGOLLRUSA-N 1 0 392.467 1.776 20 0 GDADRO O=C(CCc1ncccn1)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316448 946577956 /nfs/dbraw/zinc/57/79/56/946577956.db2.gz CRBJHMFVYVCAGY-KRWDZBQOSA-N 1 0 392.467 1.370 20 0 GDADRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC000824077651 946578195 /nfs/dbraw/zinc/57/81/95/946578195.db2.gz CRAZUQQOMQHSNY-OIISXLGYSA-N 1 0 375.473 1.335 20 0 GDADRO Cn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C23CCC3)n1 ZINC001571316553 946579436 /nfs/dbraw/zinc/57/94/36/946579436.db2.gz GCIQSYMFDCUBRF-SJORKVTESA-N 1 0 392.467 1.431 20 0 GDADRO Cc1cncc(CC(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571316549 946580223 /nfs/dbraw/zinc/58/02/23/946580223.db2.gz GANKFNLVYNQLAD-FZKQIMNGSA-N 1 0 392.467 1.197 20 0 GDADRO Cn1nc(C2CC2)cc1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316585 946582803 /nfs/dbraw/zinc/58/28/03/946582803.db2.gz HGMPEEVABUDEND-UHFFFAOYSA-N 1 0 392.467 1.339 20 0 GDADRO Cc1nnccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316944 946593277 /nfs/dbraw/zinc/59/32/77/946593277.db2.gz QIYZNPMHBCPXSR-DOTOQJQBSA-N 1 0 392.467 1.653 20 0 GDADRO O=C(Cn1cc(C2CC2)cn1)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571317085 946597637 /nfs/dbraw/zinc/59/76/37/946597637.db2.gz VCOKBAHWCJRXBB-KRWDZBQOSA-N 1 0 392.467 1.331 20 0 GDADRO Cc1ncncc1C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571317137 946601345 /nfs/dbraw/zinc/60/13/45/946601345.db2.gz WHXOTAVCMQOQKN-KRWDZBQOSA-N 1 0 392.467 1.606 20 0 GDADRO O=C(CCc1c[nH]cn1)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571317191 946602501 /nfs/dbraw/zinc/60/25/01/946602501.db2.gz XSRWUWGYHNXBIL-CRAIPNDOSA-N 1 0 392.467 1.255 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cnn2c1CCC2 ZINC001571317227 946603391 /nfs/dbraw/zinc/60/33/91/946603391.db2.gz YLCWXVJLDNVHDN-UHFFFAOYSA-N 1 0 392.467 1.308 20 0 GDADRO Cc1cccc(-c2nn[nH]n2)c1S(=O)(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001571317373 946608982 /nfs/dbraw/zinc/60/89/82/946608982.db2.gz FJUXBTUUPVCWRX-HNNXBMFYSA-N 1 0 392.529 1.964 20 0 GDADRO CC[C@H](C(=O)N1CC[C@H](CCNc2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571317522 946614061 /nfs/dbraw/zinc/61/40/61/946614061.db2.gz LFEXWLMLVOPOMS-QWHCGFSZSA-N 1 0 392.533 1.622 20 0 GDADRO O=C(c1cn2c(n1)CCC2)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317836 946620784 /nfs/dbraw/zinc/62/07/84/946620784.db2.gz WTVUWAYIDFWDDK-OAHLLOKOSA-N 1 0 392.467 1.261 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)s2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571317802 946621286 /nfs/dbraw/zinc/62/12/86/946621286.db2.gz VZPUGWBIKBCVFH-WAAGHKOSSA-N 1 0 392.876 1.603 20 0 GDADRO O=C(c1cn2c(n1)CCCC2)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571317914 946624223 /nfs/dbraw/zinc/62/42/23/946624223.db2.gz YJKRGSSAMHJNBX-HNNXBMFYSA-N 1 0 392.467 1.404 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573522416 946625203 /nfs/dbraw/zinc/62/52/03/946625203.db2.gz FJUDMDKETQLULB-QWHCGFSZSA-N 1 0 387.488 1.012 20 0 GDADRO CC(C)N1CC[NH+](C2CCN(c3nc4ccccn4c3-c3nn[nH]n3)CC2)CC1 ZINC000824301427 946649511 /nfs/dbraw/zinc/64/95/11/946649511.db2.gz YWODNLRJTUTOPA-UHFFFAOYSA-N 1 0 395.515 1.509 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824412690 946693346 /nfs/dbraw/zinc/69/33/46/946693346.db2.gz DTFKEDWTAIALSH-AWEZNQCLSA-N 1 0 386.481 1.666 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000824414198 946701085 /nfs/dbraw/zinc/70/10/85/946701085.db2.gz XIKOMAVAIKBJOH-HNNXBMFYSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CN(C)CCO1 ZINC000824547865 946791201 /nfs/dbraw/zinc/79/12/01/946791201.db2.gz TVMZQFLUSJJHNS-DNVCBOLYSA-N 1 0 385.516 1.140 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000824598608 946848069 /nfs/dbraw/zinc/84/80/69/946848069.db2.gz HRAYTMSTKCQHHR-CJNGLKHVSA-N 1 0 394.501 1.006 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824868936 946963344 /nfs/dbraw/zinc/96/33/44/946963344.db2.gz XSPOXVZDTQRJJL-QAPCUYQASA-N 1 0 384.484 1.716 20 0 GDADRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H]1O ZINC000825210195 947120696 /nfs/dbraw/zinc/12/06/96/947120696.db2.gz FWBJGPIGENMTFW-JQWIXIFHSA-N 1 0 376.486 1.448 20 0 GDADRO C=C/C(C)=C\CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573315678 947255867 /nfs/dbraw/zinc/25/58/67/947255867.db2.gz DLRMGCVMLZLJAL-XBNGYDHASA-N 1 0 384.484 1.640 20 0 GDADRO C[C@@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573594363 947392458 /nfs/dbraw/zinc/39/24/58/947392458.db2.gz YJNDIBKGFXYGLT-JTQLQIEISA-N 1 0 383.378 1.887 20 0 GDADRO C[NH+]1CCC(C(=O)Nc2ccn(-c3ccc(-c4nn[nH]n4)cc3Cl)n2)CC1 ZINC000826022560 947407230 /nfs/dbraw/zinc/40/72/30/947407230.db2.gz OCSJFBZZDSONQI-UHFFFAOYSA-N 1 0 386.847 1.986 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccco1 ZINC001573594831 947409122 /nfs/dbraw/zinc/40/91/22/947409122.db2.gz CTDCGPPQBRGCAY-RYUDHWBXSA-N 1 0 390.469 1.234 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573595125 947415017 /nfs/dbraw/zinc/41/50/17/947415017.db2.gz FPDGEYTWPDLTHU-ZBFHGGJFSA-N 1 0 380.456 1.357 20 0 GDADRO C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCO1 ZINC001573599064 947450157 /nfs/dbraw/zinc/45/01/57/947450157.db2.gz VFSDTIBMIVAWKW-QAPCUYQASA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cccn1 ZINC001573602700 947470586 /nfs/dbraw/zinc/47/05/86/947470586.db2.gz HEMMQAZCAUOIIL-CYBMUJFWSA-N 1 0 386.435 1.354 20 0 GDADRO C[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccn1 ZINC001573602628 947471098 /nfs/dbraw/zinc/47/10/98/947471098.db2.gz GEBGGDRLIZCWDF-CYBMUJFWSA-N 1 0 386.435 1.402 20 0 GDADRO C[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1cccnc1 ZINC001573603996 947503238 /nfs/dbraw/zinc/50/32/38/947503238.db2.gz QNUDAACTPDVUDK-ZDUSSCGKSA-N 1 0 383.431 1.753 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)c1cccnc1 ZINC001573613795 947571728 /nfs/dbraw/zinc/57/17/28/947571728.db2.gz IZNYJFXGOHPIJH-SUMWQHHRSA-N 1 0 392.467 1.531 20 0 GDADRO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1-c1nn[nH]n1 ZINC000826198124 947596160 /nfs/dbraw/zinc/59/61/60/947596160.db2.gz NAYMOARKXYFCMQ-HOCLYGCPSA-N 1 0 385.472 1.501 20 0 GDADRO C[C@@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573619586 947666994 /nfs/dbraw/zinc/66/69/94/947666994.db2.gz VVDBISCXWFAYNB-CQSZACIVSA-N 1 0 392.467 1.533 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573623188 947685670 /nfs/dbraw/zinc/68/56/70/947685670.db2.gz DMMGTMAWEPUKEP-SUMWQHHRSA-N 1 0 380.456 1.094 20 0 GDADRO Cc1c(Cl)cnc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1-c1nn[nH]n1 ZINC000826237657 947697300 /nfs/dbraw/zinc/69/73/00/947697300.db2.gz HWTWXNMEUATHPO-CYBMUJFWSA-N 1 0 390.879 1.142 20 0 GDADRO CC(=O)CCCC(=O)N(C)C1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573363336 947711791 /nfs/dbraw/zinc/71/17/91/947711791.db2.gz BWEDAGABWNBYTC-UHFFFAOYSA-N 1 0 385.472 1.624 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C ZINC001573367473 947760047 /nfs/dbraw/zinc/76/00/47/947760047.db2.gz DAYCNZGRUJHZQD-MLGOLLRUSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573369821 947776443 /nfs/dbraw/zinc/77/64/43/947776443.db2.gz XKAAAWIQVWEJPA-BXUZGUMPSA-N 1 0 376.486 1.624 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1C ZINC001573369860 947778037 /nfs/dbraw/zinc/77/80/37/947778037.db2.gz YMHFRBWJSUBDGX-WCQYABFASA-N 1 0 376.486 1.767 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@@H]1C ZINC001573373307 947790004 /nfs/dbraw/zinc/79/00/04/947790004.db2.gz HNYIDNLILVKOTO-SUMWQHHRSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001573374091 947804839 /nfs/dbraw/zinc/80/48/39/947804839.db2.gz MLMIUXGWFGJUCT-HIFRSBDPSA-N 1 0 385.472 1.339 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H]1CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573376312 947835009 /nfs/dbraw/zinc/83/50/09/947835009.db2.gz YIXCXGGBLSSNIC-HNNXBMFYSA-N 1 0 385.472 1.757 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]1CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573376313 947835078 /nfs/dbraw/zinc/83/50/78/947835078.db2.gz YIXCXGGBLSSNIC-OAHLLOKOSA-N 1 0 385.472 1.757 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573381211 947870545 /nfs/dbraw/zinc/87/05/45/947870545.db2.gz QPMHAGZFLDHLJZ-QGZVFWFLSA-N 1 0 384.484 1.954 20 0 GDADRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1)n1cccc1 ZINC001573647411 947892363 /nfs/dbraw/zinc/89/23/63/947892363.db2.gz KJACISPKARLUDR-NXHRZFHOSA-N 1 0 391.479 1.820 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573384256 947902546 /nfs/dbraw/zinc/90/25/46/947902546.db2.gz JVKNFSDERFODFC-SHTZXODSSA-N 1 0 388.447 1.750 20 0 GDADRO C[C@H](C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccn1 ZINC001573654445 947966700 /nfs/dbraw/zinc/96/67/00/947966700.db2.gz QWJLEZJSYJCOAJ-CXAGYDPISA-N 1 0 380.456 1.309 20 0 GDADRO Cc1onc(CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826343091 947987130 /nfs/dbraw/zinc/98/71/30/947987130.db2.gz LSZCRYFIXNQJCE-OAHLLOKOSA-N 1 0 381.440 1.439 20 0 GDADRO Cc1onc(CC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826343885 947997027 /nfs/dbraw/zinc/99/70/27/947997027.db2.gz PXRJRJOMKUZPJY-AWEZNQCLSA-N 1 0 395.467 1.829 20 0 GDADRO C[C@H](C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)C1CCC1 ZINC001573664660 948057035 /nfs/dbraw/zinc/05/70/35/948057035.db2.gz WFJNUMUXXMLDIC-ZDUSSCGKSA-N 1 0 385.472 1.197 20 0 GDADRO Cn1cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360407 948121013 /nfs/dbraw/zinc/12/10/13/948121013.db2.gz JEXQVJSPRYJGAJ-QGZVFWFLSA-N 1 0 392.467 1.464 20 0 GDADRO Cn1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360686 948124980 /nfs/dbraw/zinc/12/49/80/948124980.db2.gz UHUVDHMYWQNAHU-QGZVFWFLSA-N 1 0 392.467 1.510 20 0 GDADRO Cn1cc(CN2CC[NH+](C3CCC3)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361040 948127462 /nfs/dbraw/zinc/12/74/62/948127462.db2.gz JESNTANMOFXYQG-UHFFFAOYSA-N 1 0 378.484 1.937 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCCC1 ZINC001573680127 948173499 /nfs/dbraw/zinc/17/34/99/948173499.db2.gz LYLQASLUZQQBNC-IUODEOHRSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccn1 ZINC001573680668 948185412 /nfs/dbraw/zinc/18/54/12/948185412.db2.gz PLSDZQJVIDSSCC-DYVFJYSZSA-N 1 0 380.456 1.309 20 0 GDADRO [NH2+]=C(NOCCOc1ccccc1-c1nn[nH]n1)[C@@H]1COc2ccccc2O1 ZINC000826388332 948194102 /nfs/dbraw/zinc/19/41/02/948194102.db2.gz SCSYUHNEIOGVJK-INIZCTEOSA-N 1 0 382.380 1.584 20 0 GDADRO NC(=O)[C@H](NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000826389495 948197904 /nfs/dbraw/zinc/19/79/04/948197904.db2.gz ZQVAKGDIQZFSEV-LJQANCHMSA-N 1 0 391.479 1.647 20 0 GDADRO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573696149 948318685 /nfs/dbraw/zinc/31/86/85/948318685.db2.gz LONSHXYIDWKIJA-BUXKBTBVSA-N 1 0 388.447 1.105 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)C(C)(F)F ZINC001573696379 948323656 /nfs/dbraw/zinc/32/36/56/948323656.db2.gz PBQNHWMPQOTOBY-XRRVDJEJSA-N 1 0 377.399 1.351 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001573704259 948368746 /nfs/dbraw/zinc/36/87/46/948368746.db2.gz RCFHCWJHHOYRDS-QWHCGFSZSA-N 1 0 386.485 1.467 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000826504591 948422523 /nfs/dbraw/zinc/42/25/23/948422523.db2.gz ZGVGIAVTKHFOMM-QGZVFWFLSA-N 1 0 395.467 1.578 20 0 GDADRO OC[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCOCC1 ZINC000826507970 948427150 /nfs/dbraw/zinc/42/71/50/948427150.db2.gz ZTLBBGHKMGLQIB-LJQANCHMSA-N 1 0 386.500 1.208 20 0 GDADRO c1[nH]nc2c1C[C@H]([NH2+]C1CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826513569 948436501 /nfs/dbraw/zinc/43/65/01/948436501.db2.gz PCDPDIHQVABZGS-GOSISDBHSA-N 1 0 378.484 1.701 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573707723 948437329 /nfs/dbraw/zinc/43/73/29/948437329.db2.gz QFTUOCKNXPFCAX-WBVHZDCISA-N 1 0 379.468 1.868 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCCO1)C1CC1 ZINC001573708702 948457565 /nfs/dbraw/zinc/45/75/65/948457565.db2.gz XIILOGQVZHNZQA-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573708891 948461503 /nfs/dbraw/zinc/46/15/03/948461503.db2.gz YHSPWITXTZGRAI-AWEZNQCLSA-N 1 0 380.456 1.445 20 0 GDADRO C[C@H](C(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1cnn(C)c1 ZINC001573715071 948482103 /nfs/dbraw/zinc/48/21/03/948482103.db2.gz OAQFCEAVXIWIKS-LBPRGKRZSA-N 1 0 386.435 1.139 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1)[C@H]1CCCO1 ZINC001573720913 948536373 /nfs/dbraw/zinc/53/63/73/948536373.db2.gz SVVUBUDDFPBIEJ-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCCO1 ZINC001573729677 948569453 /nfs/dbraw/zinc/56/94/53/948569453.db2.gz IUKDWIDRTYRWNW-IKICRFKJSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1C)n1cccc1 ZINC001573740518 948636330 /nfs/dbraw/zinc/63/63/30/948636330.db2.gz KOBCPGIAAXDQOL-RVKKMQEKSA-N 1 0 379.468 1.866 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573746764 948684214 /nfs/dbraw/zinc/68/42/14/948684214.db2.gz KXUWNIPNJLQFKP-FXAINCCUSA-N 1 0 386.353 1.941 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CCN(c2ncccc2-c2nn[nH]n2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001573748043 948694001 /nfs/dbraw/zinc/69/40/01/948694001.db2.gz ZNWCMNIYRFVHRB-VYDXJSESSA-N 1 0 398.515 1.610 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)c1cccnc1 ZINC001573751903 948706222 /nfs/dbraw/zinc/70/62/22/948706222.db2.gz HOJVMNYJWGNMRE-NOENWEJRSA-N 1 0 389.463 1.612 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C)n1 ZINC001574419313 948780911 /nfs/dbraw/zinc/78/09/11/948780911.db2.gz ASWVNIFSEXTVBO-FZKQIMNGSA-N 1 0 394.483 1.964 20 0 GDADRO CC(C)[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1C ZINC001574080149 948787145 /nfs/dbraw/zinc/78/71/45/948787145.db2.gz IGTQKGJVMRDPEA-LYRGGWFBSA-N 1 0 378.427 1.936 20 0 GDADRO CC(C)[C@@H](F)C(=O)NCCN1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574080483 948796468 /nfs/dbraw/zinc/79/64/68/948796468.db2.gz MBLWKKCHSMDETI-QGZVFWFLSA-N 1 0 389.479 1.095 20 0 GDADRO C[C@@H](CNC(=O)CCCn1cccn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574917945 948827112 /nfs/dbraw/zinc/82/71/12/948827112.db2.gz CXDHJLDOTJIHTM-ZDUSSCGKSA-N 1 0 388.501 1.542 20 0 GDADRO CC(C)[C@H](F)C(=O)NCC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001574081464 948831494 /nfs/dbraw/zinc/83/14/94/948831494.db2.gz SWNDVJIMGYBVJZ-IOASZLSFSA-N 1 0 375.452 1.834 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001574918262 948840976 /nfs/dbraw/zinc/84/09/76/948840976.db2.gz HYAXROWGRPCTHP-OAHLLOKOSA-N 1 0 386.504 1.469 20 0 GDADRO C[C@@H](CCNc1nc(Cl)c(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574684024 948855351 /nfs/dbraw/zinc/85/53/51/948855351.db2.gz AFSUNHNEWIGOKC-IUCAKERBSA-N 1 0 384.897 1.378 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncs1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920007 948881492 /nfs/dbraw/zinc/88/14/92/948881492.db2.gz ADAHYIDIHLIMDL-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C(F)F ZINC001573764711 948894185 /nfs/dbraw/zinc/89/41/85/948894185.db2.gz QXNMLGPXCICDSU-NSHDSACASA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)(C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573765234 948902397 /nfs/dbraw/zinc/90/23/97/948902397.db2.gz XEGGCPLBKIXPJV-UHFFFAOYSA-N 1 0 392.467 1.459 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574685430 948906208 /nfs/dbraw/zinc/90/62/08/948906208.db2.gz VZIXPGDVMHUXJI-GHMZBOCLSA-N 1 0 378.868 1.174 20 0 GDADRO CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCO1 ZINC001574088332 948918065 /nfs/dbraw/zinc/91/80/65/948918065.db2.gz AWTZSRRHZQKUKF-ZJOBFFGXSA-N 1 0 385.472 1.194 20 0 GDADRO CC(C)(C(=O)N1CCN(Cc2ccccc2-c2nn[nH]n2)CC1)[NH+]1CCCC1 ZINC001573765678 948920951 /nfs/dbraw/zinc/92/09/51/948920951.db2.gz XAXHWHPOMYYGAX-UHFFFAOYSA-N 1 0 383.500 1.385 20 0 GDADRO CC(C)(C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573771319 948939418 /nfs/dbraw/zinc/93/94/18/948939418.db2.gz GCBWRPNFCPRONT-UHFFFAOYSA-N 1 0 392.467 1.363 20 0 GDADRO CC(C)c1nccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574433290 948948342 /nfs/dbraw/zinc/94/83/42/948948342.db2.gz SENFHTXKWIETQU-GFCCVEGCSA-N 1 0 388.501 1.543 20 0 GDADRO CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001574090258 948978621 /nfs/dbraw/zinc/97/86/21/948978621.db2.gz MKBJWUNXLLMKGC-IDLUEMFASA-N 1 0 381.484 1.839 20 0 GDADRO CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCC1 ZINC001573773631 948989739 /nfs/dbraw/zinc/98/97/39/948989739.db2.gz NZSJGSXBFAWZRP-AWEZNQCLSA-N 1 0 384.488 1.221 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573774502 949013728 /nfs/dbraw/zinc/01/37/28/949013728.db2.gz SVZOKHYFYWCQBH-CYBMUJFWSA-N 1 0 387.463 1.575 20 0 GDADRO C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574927217 949039465 /nfs/dbraw/zinc/03/94/65/949039465.db2.gz HMOBYRNVDNUORH-CYBMUJFWSA-N 1 0 387.488 1.013 20 0 GDADRO C[C@H](F)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001575247583 949052160 /nfs/dbraw/zinc/05/21/60/949052160.db2.gz JTDZWFPOFJOKNJ-FQUUOJAGSA-N 1 0 375.452 1.916 20 0 GDADRO C[C@@H](CNC(=O)CN1CCc2ccccc21)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574929057 949074814 /nfs/dbraw/zinc/07/48/14/949074814.db2.gz XBTJNDIWVMAWDS-HNNXBMFYSA-N 1 0 391.479 1.524 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nn[nH]n1)[NH+](C)C ZINC001574694601 949080891 /nfs/dbraw/zinc/08/08/91/949080891.db2.gz SLXGHFYBADWSFN-LRDDRELGSA-N 1 0 377.468 1.851 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001575249385 949092777 /nfs/dbraw/zinc/09/27/77/949092777.db2.gz BEJVCLCCGCJWLL-LSDHHAIUSA-N 1 0 379.468 1.866 20 0 GDADRO CC(C)(C(=O)NCCN(c1ccc(-c2nn[nH]n2)cn1)C1CC1)[NH+]1CCCC1 ZINC001573781732 949110934 /nfs/dbraw/zinc/11/09/34/949110934.db2.gz MQFWWMGWSDKTHT-UHFFFAOYSA-N 1 0 384.488 1.221 20 0 GDADRO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)c1c[nH]cn1 ZINC001573786770 949144790 /nfs/dbraw/zinc/14/47/90/949144790.db2.gz ADAITCPQOPUZBF-QLPKVWCKSA-N 1 0 392.467 1.114 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575253151 949181498 /nfs/dbraw/zinc/18/14/98/949181498.db2.gz SSNSJCGYGBYICN-CHWSQXEVSA-N 1 0 387.488 1.442 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001575254484 949206690 /nfs/dbraw/zinc/20/66/90/949206690.db2.gz WHJRDKQZFMAXMJ-ZIAGYGMSSA-N 1 0 386.504 1.831 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1F)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001575255930 949241103 /nfs/dbraw/zinc/24/11/03/949241103.db2.gz SMQXWFXJIHQWPH-NEPJUHHUSA-N 1 0 388.451 1.334 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574938672 949248688 /nfs/dbraw/zinc/24/86/88/949248688.db2.gz YYQAHGQBYBKNCB-LLVKDONJSA-N 1 0 387.394 1.377 20 0 GDADRO CC(C)n1cc(C(=O)NC/C=C\C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001574452000 949251302 /nfs/dbraw/zinc/25/13/02/949251302.db2.gz DPUUBSOJWTVIST-ARJAWSKDSA-N 1 0 380.456 1.720 20 0 GDADRO CC(C)n1cc(C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC001574452275 949260397 /nfs/dbraw/zinc/26/03/97/949260397.db2.gz IOMJOMRMTCCTLT-UHFFFAOYSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc2c(c1)COC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574940406 949263156 /nfs/dbraw/zinc/26/31/56/949263156.db2.gz FEUZQBASYJXAPP-AWEZNQCLSA-N 1 0 392.463 1.734 20 0 GDADRO C[C@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574940611 949266110 /nfs/dbraw/zinc/26/61/10/949266110.db2.gz HMOJPCGOPNWUMJ-LLVKDONJSA-N 1 0 387.394 1.781 20 0 GDADRO C[C@H](CNC(=O)Cc1ccccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574940554 949269002 /nfs/dbraw/zinc/26/90/02/949269002.db2.gz GXSCXUZXSRIDDV-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@H](CN(C)C(=O)C1(F)CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574702454 949283017 /nfs/dbraw/zinc/28/30/17/949283017.db2.gz JHEDAAWSSCDLFD-CYBMUJFWSA-N 1 0 376.436 1.322 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@]1(F)CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574702659 949290300 /nfs/dbraw/zinc/29/03/00/949290300.db2.gz KBFQPRFDTDRZHL-PIGZYNQJSA-N 1 0 380.399 1.071 20 0 GDADRO CC(C)CC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574109268 949316872 /nfs/dbraw/zinc/31/68/72/949316872.db2.gz WJLIFEHOROOKCX-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574109718 949327370 /nfs/dbraw/zinc/32/73/70/949327370.db2.gz ARVOEZJTNRFMCN-SUMWQHHRSA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)n1ccc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)n1 ZINC001574457619 949332057 /nfs/dbraw/zinc/33/20/57/949332057.db2.gz LOYAWMKHXSTLCG-UHFFFAOYSA-N 1 0 382.472 1.848 20 0 GDADRO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574703924 949358914 /nfs/dbraw/zinc/35/89/14/949358914.db2.gz HUQFGJIICARNCB-ZDUSSCGKSA-N 1 0 387.463 1.893 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001574460673 949377972 /nfs/dbraw/zinc/37/79/72/949377972.db2.gz WUAAVFXASWIFOH-OAHLLOKOSA-N 1 0 383.460 1.367 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574704284 949381300 /nfs/dbraw/zinc/38/13/00/949381300.db2.gz LZDWGZFLNUAKQL-RHSMWYFYSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704423 949388919 /nfs/dbraw/zinc/38/89/19/949388919.db2.gz CFPWSZCYXCKMOR-MLGOLLRUSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574704446 949389966 /nfs/dbraw/zinc/38/99/66/949389966.db2.gz CMLMOEFEGCNKMY-ZDUSSCGKSA-N 1 0 385.472 1.149 20 0 GDADRO CC(C)n1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001574464192 949402066 /nfs/dbraw/zinc/40/20/66/949402066.db2.gz IQQBETOZXYIMLP-RHSMWYFYSA-N 1 0 394.483 1.894 20 0 GDADRO C[C@@H](CNC(=O)Cc1cscn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574945075 949411628 /nfs/dbraw/zinc/41/16/28/949411628.db2.gz KGLPCZCAIWHNLZ-JTQLQIEISA-N 1 0 377.499 1.564 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)c1 ZINC001574464394 949413396 /nfs/dbraw/zinc/41/33/96/949413396.db2.gz NQHLPBGDPSEAMM-HNNXBMFYSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@H](CNC(=O)Cc1cncs1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574945937 949422897 /nfs/dbraw/zinc/42/28/97/949422897.db2.gz PMLOLWZULLJWAP-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO CC1(C(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575534176 949423505 /nfs/dbraw/zinc/42/35/05/949423505.db2.gz KQOMSXMPCXWHCS-CQSZACIVSA-N 1 0 385.472 1.151 20 0 GDADRO C[C@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574705584 949429459 /nfs/dbraw/zinc/42/94/59/949429459.db2.gz IYYLSIGSIVINDK-VEAWUBTESA-N 1 0 390.463 1.493 20 0 GDADRO CC(C)(C)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOCC1 ZINC001573803306 949437591 /nfs/dbraw/zinc/43/75/91/949437591.db2.gz MYEZTUXYZNHPIV-UHFFFAOYSA-N 1 0 390.463 1.807 20 0 GDADRO CC(C)(C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573803316 949437842 /nfs/dbraw/zinc/43/78/42/949437842.db2.gz NDXOPDFOSAZUMT-GOSISDBHSA-N 1 0 376.436 1.105 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H](CC[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575535225 949440243 /nfs/dbraw/zinc/44/02/43/949440243.db2.gz UIQAAZZKIBWAAX-FOIQADDNSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H]1CCC[C@@H](OCC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576156601 949450405 /nfs/dbraw/zinc/45/04/05/949450405.db2.gz YUAICPIWOYRCTE-UONOGXRCSA-N 1 0 385.472 1.340 20 0 GDADRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573803937 949456139 /nfs/dbraw/zinc/45/61/39/949456139.db2.gz XVDUORFGAAZJKM-PBHICJAKSA-N 1 0 386.500 1.774 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001574468805 949467124 /nfs/dbraw/zinc/46/71/24/949467124.db2.gz RZXSAVAOQWORPQ-IYBDPMFKSA-N 1 0 380.456 1.695 20 0 GDADRO C[C@@H](CNC(=O)Cn1cc(Cl)cn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574948774 949471691 /nfs/dbraw/zinc/47/16/91/949471691.db2.gz MOEYBMKDAWRWKX-LBPRGKRZSA-N 1 0 388.863 1.353 20 0 GDADRO C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574948750 949471946 /nfs/dbraw/zinc/47/19/46/949471946.db2.gz MIESLLCSGKMSAS-ZDUSSCGKSA-N 1 0 380.456 1.235 20 0 GDADRO CC(C)CC(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOCC1 ZINC001574117441 949472119 /nfs/dbraw/zinc/47/21/19/949472119.db2.gz UPYHULWHFBVXQE-UHFFFAOYSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCCOCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266176 949472633 /nfs/dbraw/zinc/47/26/33/949472633.db2.gz XQLJFEKJXQJFBJ-YOEHRIQHSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H]1CCCC[C@@]1(CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cnco1 ZINC001576158517 949500008 /nfs/dbraw/zinc/50/00/08/949500008.db2.gz TXMJPAOOTNCTOT-XIKOKIGWSA-N 1 0 382.428 1.462 20 0 GDADRO C[C@@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)N1CC[NH+](C)CC1 ZINC001574949699 949505130 /nfs/dbraw/zinc/50/51/30/949505130.db2.gz AXUNHISNCUVSGD-ZDUSSCGKSA-N 1 0 389.508 1.181 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574710743 949511838 /nfs/dbraw/zinc/51/18/38/949511838.db2.gz APUDUYVVTPCANN-KSSFIOAISA-N 1 0 392.463 1.979 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2=COCCO2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575871505 949515216 /nfs/dbraw/zinc/51/52/16/949515216.db2.gz ADCQHWQLIIOQLS-AAEUAGOBSA-N 1 0 390.469 1.286 20 0 GDADRO C[C@H]1CCCC[C@@H]1OCC(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576163598 949538487 /nfs/dbraw/zinc/53/84/87/949538487.db2.gz CGMHNLWYUISMQM-GUYCJALGSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575872359 949542830 /nfs/dbraw/zinc/54/28/30/949542830.db2.gz IJRWVTFLRUNAQD-UKRRQHHQSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574956161 949571918 /nfs/dbraw/zinc/57/19/18/949571918.db2.gz GKWHXBYULJJYAY-FEUBFEEPSA-N 1 0 388.497 1.288 20 0 GDADRO C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575270168 949577941 /nfs/dbraw/zinc/57/79/41/949577941.db2.gz BPBVOOAEIWUZIP-GOEBONIOSA-N 1 0 386.504 1.325 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)cn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573811075 949589634 /nfs/dbraw/zinc/58/96/34/949589634.db2.gz HIEOCZKBYQFJRX-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1ccon1 ZINC001573811170 949592163 /nfs/dbraw/zinc/59/21/63/949592163.db2.gz IJWRYBHOSKYKKG-INIZCTEOSA-N 1 0 383.456 1.718 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cncnc1 ZINC001573811140 949592286 /nfs/dbraw/zinc/59/22/86/949592286.db2.gz IDVNCEXOKGPVSW-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2=CCOCC2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575873857 949596302 /nfs/dbraw/zinc/59/63/02/949596302.db2.gz QPNLXFCOVBUKDR-KSSFIOAISA-N 1 0 382.468 1.683 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCCO1 ZINC001573811725 949603664 /nfs/dbraw/zinc/60/36/64/949603664.db2.gz NCICTOBVFOQXHP-OCCSQVGLSA-N 1 0 378.502 1.728 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCOC1 ZINC001573811810 949607616 /nfs/dbraw/zinc/60/76/16/949607616.db2.gz NSAPXCZPUJCCIU-CZUORRHYSA-N 1 0 390.463 1.663 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1nnc[nH]1 ZINC001573811745 949608027 /nfs/dbraw/zinc/60/80/27/949608027.db2.gz NGQMJBUYJGNTPW-ZDUSSCGKSA-N 1 0 387.423 1.058 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CC1(O)CCC1 ZINC001573811887 949609058 /nfs/dbraw/zinc/60/90/58/949609058.db2.gz OVXCKBAJAVAUIF-INIZCTEOSA-N 1 0 386.500 1.792 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1CCOCC1 ZINC001573812469 949618236 /nfs/dbraw/zinc/61/82/36/949618236.db2.gz RWUBVOZFLNKBHI-QGZVFWFLSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574713908 949618116 /nfs/dbraw/zinc/61/81/16/949618116.db2.gz ZFKMTPKTXWUKBI-LIRRHRJNSA-N 1 0 392.463 1.807 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001574476748 949618855 /nfs/dbraw/zinc/61/88/55/949618855.db2.gz JIVSZDJWJUXFTI-WFASDCNBSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001574476860 949624224 /nfs/dbraw/zinc/62/42/24/949624224.db2.gz KRNKUBXQHUZILK-RDTXWAMCSA-N 1 0 386.500 1.554 20 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C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575547873 949648106 /nfs/dbraw/zinc/64/81/06/949648106.db2.gz IJKGRFLIDZAOQI-SJKOYZFVSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574715332 949652733 /nfs/dbraw/zinc/65/27/33/949652733.db2.gz IQWHJGFDTLNCGJ-RYUDHWBXSA-N 1 0 376.440 1.001 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575273569 949664028 /nfs/dbraw/zinc/66/40/28/949664028.db2.gz WQSLRWINBQMPNE-UONOGXRCSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@@H](CC(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)c1ccncc1 ZINC001574477722 949675360 /nfs/dbraw/zinc/67/53/60/949675360.db2.gz UMLSKHGVNCURKU-AWEZNQCLSA-N 1 0 380.456 1.745 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574716106 949677739 /nfs/dbraw/zinc/67/77/39/949677739.db2.gz MKBHAPLASXXWMJ-BLVKFPJESA-N 1 0 390.463 1.493 20 0 GDADRO 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CC1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOCC1 ZINC001575561077 949807666 /nfs/dbraw/zinc/80/76/66/949807666.db2.gz ZKEWNUQIMFXLMN-UHFFFAOYSA-N 1 0 384.484 1.668 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574139282 949811902 /nfs/dbraw/zinc/81/19/02/949811902.db2.gz JKGBBSPLOVMLIQ-AUUYWEPGSA-N 1 0 389.504 1.434 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1c[nH]cn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574722299 949835067 /nfs/dbraw/zinc/83/50/67/949835067.db2.gz RVZIKVUWFIIHFE-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO CC(C)C[C@H](C)C[NH+]1CCC(CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001574141338 949851215 /nfs/dbraw/zinc/85/12/15/949851215.db2.gz SXOYBWLWZCPOOA-AWEZNQCLSA-N 1 0 389.504 1.434 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575564165 949852562 /nfs/dbraw/zinc/85/25/62/949852562.db2.gz ODDVIUCJHFPNOH-OXQOHEQNSA-N 1 0 384.484 1.764 20 0 GDADRO 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ZINC001575571187 949956053 /nfs/dbraw/zinc/95/60/53/949956053.db2.gz YHFMSGQCCLNGDC-UHFFFAOYSA-N 1 0 377.399 1.782 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576180439 949956397 /nfs/dbraw/zinc/95/63/97/949956397.db2.gz HVQWSNCYADFVEV-GUYCJALGSA-N 1 0 381.440 1.885 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cc[nH]n2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576180805 949972238 /nfs/dbraw/zinc/97/22/38/949972238.db2.gz JBKCIORJKFQECA-CXAGYDPISA-N 1 0 380.456 1.620 20 0 GDADRO CC(C)(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573830738 949984614 /nfs/dbraw/zinc/98/46/14/949984614.db2.gz PUWXYDWCPGDNNO-HXUWFJFHSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNc1cccc(F)c1-c1nn[nH]n1 ZINC001576181411 950001275 /nfs/dbraw/zinc/00/12/75/950001275.db2.gz IDDKUTHVWLHHRQ-KBPBESRZSA-N 1 0 389.479 1.854 20 0 GDADRO CC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)CCCCCC1 ZINC001575574281 950011293 /nfs/dbraw/zinc/01/12/93/950011293.db2.gz SJCNJLMBCGHYLR-MRXNPFEDSA-N 1 0 386.500 1.794 20 0 GDADRO CC(C)(C)CC(=O)NC1(CO)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573835142 950038421 /nfs/dbraw/zinc/03/84/21/950038421.db2.gz PKCMHFDXMDBIHV-UHFFFAOYSA-N 1 0 386.500 1.746 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccn[nH]1 ZINC001574150841 950042172 /nfs/dbraw/zinc/04/21/72/950042172.db2.gz FINOGBJOVYCSBJ-CQSZACIVSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC[N@@H+]1CCc1ccns1 ZINC001575892237 950058675 /nfs/dbraw/zinc/05/86/75/950058675.db2.gz USWGOTROKPHBCL-DGCLKSJQSA-N 1 0 386.485 1.477 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1C[NH2+]Cc1cccnc1 ZINC001576182947 950070700 /nfs/dbraw/zinc/07/07/00/950070700.db2.gz QDXAFINEKFBKNM-CXAGYDPISA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576182970 950074788 /nfs/dbraw/zinc/07/47/88/950074788.db2.gz OEVGIPNVRQISQZ-NEPJUHHUSA-N 1 0 379.415 1.625 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1ccnc1 ZINC001574151556 950085040 /nfs/dbraw/zinc/08/50/40/950085040.db2.gz UZHMYNGUZFGSHG-KRWDZBQOSA-N 1 0 382.472 1.384 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1C[NH2+]CC1CCOCC1 ZINC001576183385 950085400 /nfs/dbraw/zinc/08/54/00/950085400.db2.gz QZMQLHUAGGEGQZ-GUYCJALGSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576183659 950097845 /nfs/dbraw/zinc/09/78/45/950097845.db2.gz RDCZXBWBZAGXRO-DZGCQCFKSA-N 1 0 385.472 1.007 20 0 GDADRO C[C@H](CC(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)CC(C)(C)C ZINC001574492854 950106793 /nfs/dbraw/zinc/10/67/93/950106793.db2.gz DGKTXYNCCKMUAE-CHWSQXEVSA-N 1 0 375.477 1.035 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cccnn1 ZINC001574152506 950108779 /nfs/dbraw/zinc/10/87/79/950108779.db2.gz DWNHNYSNTYPXEB-OAHLLOKOSA-N 1 0 380.456 1.591 20 0 GDADRO 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CC(C)(C)CCCCC(=O)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573844073 950184559 /nfs/dbraw/zinc/18/45/59/950184559.db2.gz ACCDARANGDICEC-ZDUSSCGKSA-N 1 0 375.477 1.179 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)COC(C)(C)C ZINC001575900092 950189649 /nfs/dbraw/zinc/18/96/49/950189649.db2.gz BXOLEAFRQNOWLD-LRDDRELGSA-N 1 0 390.463 1.900 20 0 GDADRO CC(C)(C)CCC[NH+]1CCC(CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573844338 950193727 /nfs/dbraw/zinc/19/37/27/950193727.db2.gz GPVUWVWQGAIHSC-UHFFFAOYSA-N 1 0 389.504 1.578 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccco1 ZINC001574495213 950197225 /nfs/dbraw/zinc/19/72/25/950197225.db2.gz RNIDQBNBTPQVQL-RYUDHWBXSA-N 1 0 390.469 1.282 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccn(C)n1 ZINC001575900894 950212143 /nfs/dbraw/zinc/21/21/43/950212143.db2.gz IZXDRKRGOADDNR-ABAIWWIYSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2c(F)cccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901029 950214255 /nfs/dbraw/zinc/21/42/55/950214255.db2.gz KAQZEMUSDHKJDV-ZUZCIYMTSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574740225 950226385 /nfs/dbraw/zinc/22/63/85/950226385.db2.gz CHJNYVZTONYANC-XDTLVQLUSA-N 1 0 382.390 1.844 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CCN2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192243 950234148 /nfs/dbraw/zinc/23/41/48/950234148.db2.gz LCDALJBCOFKICP-WBVHZDCISA-N 1 0 383.500 1.241 20 0 GDADRO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573845785 950242117 /nfs/dbraw/zinc/24/21/17/950242117.db2.gz MAIAJUOJQOOJRY-YESZJQIVSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCCC1 ZINC001574497973 950249663 /nfs/dbraw/zinc/24/96/63/950249663.db2.gz HKOQZLFTUXKPJR-DZGCQCFKSA-N 1 0 387.488 1.179 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2csnn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575902081 950251022 /nfs/dbraw/zinc/25/10/22/950251022.db2.gz SEFBHVVCUJPNOM-BXUZGUMPSA-N 1 0 384.469 1.501 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc[nH]n2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576192521 950253520 /nfs/dbraw/zinc/25/35/20/950253520.db2.gz PAYGDRSQKNBKOE-CJNGLKHVSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+][C@H]1CCc2c1cccc2F ZINC001574984438 950272976 /nfs/dbraw/zinc/27/29/76/950272976.db2.gz ZPHGPCNZINGECC-ZBEGNZNMSA-N 1 0 383.431 1.977 20 0 GDADRO C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)[C@H]1CCCO1 ZINC001574498439 950274596 /nfs/dbraw/zinc/27/45/96/950274596.db2.gz NHOKJPBHJSGMFQ-GXTWGEPZSA-N 1 0 390.513 1.872 20 0 GDADRO C[C@@]1(C(=O)NCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)CCCOC1 ZINC001575592085 950275965 /nfs/dbraw/zinc/27/59/65/950275965.db2.gz CFUFGJQCFSAOLL-HXUWFJFHSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cncnc1 ZINC001575905134 950289429 /nfs/dbraw/zinc/28/94/29/950289429.db2.gz BJQBVRFWDVPECR-ZBEGNZNMSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cscn1 ZINC001575905161 950289832 /nfs/dbraw/zinc/28/98/32/950289832.db2.gz BTABLROZJGPEDO-HZMBPMFUSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CC1OCCCO1 ZINC001575905369 950290045 /nfs/dbraw/zinc/29/00/45/950290045.db2.gz BZBIVGVSAZNCQL-WCQYABFASA-N 1 0 392.485 1.160 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)COC1CCCC1 ZINC001575905146 950292484 /nfs/dbraw/zinc/29/24/84/950292484.db2.gz BLSARXPIHAXNLK-KSSFIOAISA-N 1 0 384.484 1.905 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1CCC(O)CC1 ZINC001574159308 950303426 /nfs/dbraw/zinc/30/34/26/950303426.db2.gz WCIOMJZGTWQZFA-SHARSMKWSA-N 1 0 387.488 1.178 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575906537 950317674 /nfs/dbraw/zinc/31/76/74/950317674.db2.gz IYFMVVOUNOEAAN-PXAZEXFGSA-N 1 0 383.431 1.656 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cncc(F)c1 ZINC001575907151 950324700 /nfs/dbraw/zinc/32/47/00/950324700.db2.gz LWKMPFLJRIUEGF-YVEFUNNKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cncc(F)c1 ZINC001575907150 950326761 /nfs/dbraw/zinc/32/67/61/950326761.db2.gz LWKMPFLJRIUEGF-SJKOYZFVSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575907430 950335948 /nfs/dbraw/zinc/33/59/48/950335948.db2.gz OSXWXUQJFIEXQN-MFKMUULPSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cscn1 ZINC001575907824 950346335 /nfs/dbraw/zinc/34/63/35/950346335.db2.gz RGARCSKZZLUWRS-HZMBPMFUSA-N 1 0 387.444 1.855 20 0 GDADRO CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001573854719 950346960 /nfs/dbraw/zinc/34/69/60/950346960.db2.gz DDWHABYSBZJHSJ-QKNJOQAUSA-N 1 0 381.484 1.885 20 0 GDADRO C[C@@H](CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCCO1 ZINC001574501865 950347257 /nfs/dbraw/zinc/34/72/57/950347257.db2.gz HBGAFHLBISMWCO-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccccn1 ZINC001575907815 950348284 /nfs/dbraw/zinc/34/82/84/950348284.db2.gz RELTUUUZDQKSBW-KXBFYZLASA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1n[nH]cc1F ZINC001575908015 950351905 /nfs/dbraw/zinc/35/19/05/950351905.db2.gz SPEROKMXDYYWDT-YMTOWFKASA-N 1 0 388.382 1.261 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2ncccc2-c2nn[nH]n2)C1 ZINC001576196226 950353796 /nfs/dbraw/zinc/35/37/96/950353796.db2.gz BFWIPEABTZVQJV-CABCVRRESA-N 1 0 384.488 1.031 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cccnn1 ZINC001575908293 950360382 /nfs/dbraw/zinc/36/03/82/950360382.db2.gz UCGGNANQINFSKB-IAQYHMDHSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@]1(C(=O)NCC[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575596144 950368145 /nfs/dbraw/zinc/36/81/45/950368145.db2.gz SCMGGFYGFQNLRW-FOIQADDNSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cnn(C)c1 ZINC001575908569 950368875 /nfs/dbraw/zinc/36/88/75/950368875.db2.gz VHQMXMXKQQZJNC-BZNIZROVSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1cncnc1 ZINC001575908521 950370945 /nfs/dbraw/zinc/37/09/45/950370945.db2.gz CPGGRRVKAWHFDQ-KDOFPFPSSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ccncc1F ZINC001575908623 950373991 /nfs/dbraw/zinc/37/39/91/950373991.db2.gz VUWAVISXVBLCRF-YGRLFVJLSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccncc2Cl)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908818 950377917 /nfs/dbraw/zinc/37/79/17/950377917.db2.gz FDFWBDNRTGBAHU-QMTHXVAHSA-N 1 0 386.847 1.636 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cncs1 ZINC001575908921 950382082 /nfs/dbraw/zinc/38/20/82/950382082.db2.gz XDKFNUMZTQESJJ-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO CC1CC[NH+](CC(=O)N2CC[C@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001576197518 950400661 /nfs/dbraw/zinc/40/06/61/950400661.db2.gz PDMSFSNGIMUNSJ-AWEZNQCLSA-N 1 0 388.451 1.146 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C)n1 ZINC001575909811 950408127 /nfs/dbraw/zinc/40/81/27/950408127.db2.gz IIAQJAWMXAUYRQ-WFASDCNBSA-N 1 0 383.460 1.365 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3ncccc3-c3nn[nH]n3)C2)C1 ZINC001576198491 950408597 /nfs/dbraw/zinc/40/85/97/950408597.db2.gz TZJYZFUVTQAGBA-GJZGRUSLSA-N 1 0 384.488 1.254 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3ncccc3-c3nn[nH]n3)C2)C1 ZINC001576198493 950410363 /nfs/dbraw/zinc/41/03/63/950410363.db2.gz TZJYZFUVTQAGBA-HUUCEWRRSA-N 1 0 384.488 1.254 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575597475 950412141 /nfs/dbraw/zinc/41/21/41/950412141.db2.gz QISHVFPCAKJTOZ-ODYMNIRHSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](CC(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCCO1 ZINC001574503697 950417205 /nfs/dbraw/zinc/41/72/05/950417205.db2.gz YTOAIVGAFTXQCW-GUYCJALGSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(Cl)n2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575911250 950442106 /nfs/dbraw/zinc/44/21/06/950442106.db2.gz OEPMTWIIRQYWAM-MFKMUULPSA-N 1 0 386.847 1.636 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc[nH]c(=O)c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574750980 950447576 /nfs/dbraw/zinc/44/75/76/950447576.db2.gz JYHMQNGZHXKNRN-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001589724954 950450061 /nfs/dbraw/zinc/45/00/61/950450061.db2.gz SLFPMIDHVPYQLD-UHFFFAOYSA-N 1 0 396.454 1.841 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)COCC(F)F ZINC001575912919 950474715 /nfs/dbraw/zinc/47/47/15/950474715.db2.gz RQDQDOHQWSCLKE-FZMZJTMJSA-N 1 0 380.399 1.227 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(F)c2F)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575913753 950483981 /nfs/dbraw/zinc/48/39/81/950483981.db2.gz TTWUZICZPJNCLE-GWCFXTLKSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H](C[C@H](C)Nc1ccc(-c2nn[nH]n2)cn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204960 950487763 /nfs/dbraw/zinc/48/77/63/950487763.db2.gz SUQRMHATLBSBAQ-LSDHHAIUSA-N 1 0 386.504 1.689 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574994973 950496805 /nfs/dbraw/zinc/49/68/05/950496805.db2.gz BMNBJGKWDVVPGD-GFCCVEGCSA-N 1 0 382.472 1.795 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001576205224 950502731 /nfs/dbraw/zinc/50/27/31/950502731.db2.gz HKRALEPOOFEHNQ-QWHCGFSZSA-N 1 0 375.452 1.289 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573866706 950511323 /nfs/dbraw/zinc/51/13/23/950511323.db2.gz JOXOJGJFKBZGSZ-OAHLLOKOSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CC1OCCCO1 ZINC001575915461 950516019 /nfs/dbraw/zinc/51/60/19/950516019.db2.gz XBPQAASDRWSCBV-CZUORRHYSA-N 1 0 386.456 1.099 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573866969 950518606 /nfs/dbraw/zinc/51/86/06/950518606.db2.gz OSRWXYQGMCAMJJ-AWEZNQCLSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575915847 950523009 /nfs/dbraw/zinc/52/30/09/950523009.db2.gz XQEULMJBQUMYKZ-CJNGLKHVSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H](O)c1ccccc1F ZINC001574753329 950523869 /nfs/dbraw/zinc/52/38/69/950523869.db2.gz FITAYWQNHVJAGG-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc2n[nH]nc2c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574753747 950539468 /nfs/dbraw/zinc/53/94/68/950539468.db2.gz RHFURKANCMYQPM-GFCCVEGCSA-N 1 0 391.439 1.388 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(=O)[nH]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574753998 950552830 /nfs/dbraw/zinc/55/28/30/950552830.db2.gz JKNRCEGBAUFRJL-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575616578 950591990 /nfs/dbraw/zinc/59/19/90/950591990.db2.gz SAEWHXKHHQQCOK-OAHLLOKOSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575918778 950602424 /nfs/dbraw/zinc/60/24/24/950602424.db2.gz FAXZHTFPEZAUFK-UGSOOPFHSA-N 1 0 389.463 1.500 20 0 GDADRO C[C@@H](CNC(=O)c1cc(F)ccc1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575000874 950616296 /nfs/dbraw/zinc/61/62/96/950616296.db2.gz HLJQDFDJOSZGGE-VIFPVBQESA-N 1 0 375.795 1.707 20 0 GDADRO CC(C)n1ccc(C(=O)N(C)C[C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001574759562 950638191 /nfs/dbraw/zinc/63/81/91/950638191.db2.gz OGQRHZPXJHCFPJ-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO CC1(C)CC(C(=O)N(CCO)CC[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575622590 950639498 /nfs/dbraw/zinc/63/94/98/950639498.db2.gz DKGZNHWIHAPOAW-UHFFFAOYSA-N 1 0 390.463 1.353 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574518251 950649538 /nfs/dbraw/zinc/64/95/38/950649538.db2.gz MWSJYOGDDNIBQC-GFOCRRMGSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575923469 950658145 /nfs/dbraw/zinc/65/81/45/950658145.db2.gz BPFXRIDHCXAMNO-IINYFYTJSA-N 1 0 384.831 1.447 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccncc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574760617 950673178 /nfs/dbraw/zinc/67/31/78/950673178.db2.gz XLOUXBZTIOPPLR-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO CC(C)CCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574181269 950739008 /nfs/dbraw/zinc/73/90/08/950739008.db2.gz KMKOOGHQAMKLOQ-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@@H](C)C2 ZINC001576216860 950745606 /nfs/dbraw/zinc/74/56/06/950745606.db2.gz JTDBTENQQGHWLE-YPMHNXCESA-N 1 0 392.529 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574764798 950761839 /nfs/dbraw/zinc/76/18/39/950761839.db2.gz YRQOYOSVWIYKQE-JTQLQIEISA-N 1 0 384.469 1.590 20 0 GDADRO C[C@H](C[N@H+](C)C[C@@H](O)c1ccc(F)cc1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765277 950781707 /nfs/dbraw/zinc/78/17/07/950781707.db2.gz BCHVGQNHKPSTDL-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO CC(C)C(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576218364 950784912 /nfs/dbraw/zinc/78/49/12/950784912.db2.gz LOMOAPUFEHSRBF-FOIQADDNSA-N 1 0 384.484 1.715 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cccnc1 ZINC001574521794 950785246 /nfs/dbraw/zinc/78/52/46/950785246.db2.gz HSYJNYDFWOWUDR-HUUCEWRRSA-N 1 0 379.468 1.877 20 0 GDADRO CC(C)C(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001576218386 950787565 /nfs/dbraw/zinc/78/75/65/950787565.db2.gz LQOXNTQAFIHWGM-QRWLVFNGSA-N 1 0 384.484 1.715 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCc1ccon1 ZINC001574522148 950788943 /nfs/dbraw/zinc/78/89/43/950788943.db2.gz ITFWHGPBHPLNBB-KBPBESRZSA-N 1 0 383.456 1.860 20 0 GDADRO C[C@@H]1[C@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575933694 950845596 /nfs/dbraw/zinc/84/55/96/950845596.db2.gz PHOGMMQTWNMHLX-GDBMZVCRSA-N 1 0 384.488 1.539 20 0 GDADRO CC(C)OCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574524126 950846324 /nfs/dbraw/zinc/84/63/24/950846324.db2.gz UAHCHYFTQISCFV-QWHCGFSZSA-N 1 0 378.452 1.804 20 0 GDADRO C[C@H](CN(C)C(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574767597 950857954 /nfs/dbraw/zinc/85/79/54/950857954.db2.gz SOTKXZDZIRTLOD-SECBINFHSA-N 1 0 391.432 1.418 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncc(F)cc1F)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574767581 950858686 /nfs/dbraw/zinc/85/86/86/950858686.db2.gz RXGWYCYYJANVPW-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576222083 950864805 /nfs/dbraw/zinc/86/48/05/950864805.db2.gz XGJIFZDORRARPS-DYVFJYSZSA-N 1 0 392.467 1.315 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CCCOCC(F)(F)F ZINC001575011913 950872116 /nfs/dbraw/zinc/87/21/16/950872116.db2.gz UARXORLVJLGFFN-SNVBAGLBSA-N 1 0 389.382 1.214 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CCOc1ccc(F)cc1 ZINC001575012083 950877944 /nfs/dbraw/zinc/87/79/44/950877944.db2.gz WBQVSNPEJYHORO-GFCCVEGCSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccnnc1 ZINC001574527699 950901907 /nfs/dbraw/zinc/90/19/07/950901907.db2.gz GATVZFKNJLXANN-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccnn1C ZINC001574527766 950906649 /nfs/dbraw/zinc/90/66/49/950906649.db2.gz GWRDSSGFCRZSNT-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccn(C)n1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574527844 950910884 /nfs/dbraw/zinc/91/08/84/950910884.db2.gz HZKXEMKQIAXFIQ-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001574771576 950925287 /nfs/dbraw/zinc/92/52/87/950925287.db2.gz GTJIIOPXPHWEOR-CYBMUJFWSA-N 1 0 375.452 1.038 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574528962 950941098 /nfs/dbraw/zinc/94/10/98/950941098.db2.gz OTEQUVCIMUKXLG-VXGBXAGGSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccnnc1 ZINC001574528734 950942728 /nfs/dbraw/zinc/94/27/28/950942728.db2.gz OHVSKBUMORGZTC-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccn(C)n1 ZINC001574529718 950953787 /nfs/dbraw/zinc/95/37/87/950953787.db2.gz RPWBHPUXGQPDRC-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574772029 950954243 /nfs/dbraw/zinc/95/42/43/950954243.db2.gz OSCORBPXMYMLRD-BFUOFWGJSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC1CCOCC1 ZINC001574772207 950965293 /nfs/dbraw/zinc/96/52/93/950965293.db2.gz RIGLNEJIYPHEQZ-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576229423 950970076 /nfs/dbraw/zinc/97/00/76/950970076.db2.gz MMFISWLMNCIEOJ-HIFRSBDPSA-N 1 0 384.488 1.110 20 0 GDADRO CC(C)CCC[N@H+](CCO)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001574195043 950970222 /nfs/dbraw/zinc/97/02/22/950970222.db2.gz HAUVIOIXWKPQGJ-UHFFFAOYSA-N 1 0 389.504 1.530 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cncnc1 ZINC001574530178 950970873 /nfs/dbraw/zinc/97/08/73/950970873.db2.gz SVZNCROFKWHKGL-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575017140 950978036 /nfs/dbraw/zinc/97/80/36/950978036.db2.gz APTULHHCTXGAQC-SNVBAGLBSA-N 1 0 388.382 1.494 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cccnn1 ZINC001574530544 950989032 /nfs/dbraw/zinc/98/90/32/950989032.db2.gz VNDUFRPHJATZEE-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576230141 950991654 /nfs/dbraw/zinc/99/16/54/950991654.db2.gz QAXJEORAMGDMEP-KDOFPFPSSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccsn1 ZINC001574774015 950996518 /nfs/dbraw/zinc/99/65/18/950996518.db2.gz BCECCYZWIQVCAE-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574530813 950999023 /nfs/dbraw/zinc/99/90/23/950999023.db2.gz XLCDRCKMQREMIB-ZJUUUORDSA-N 1 0 390.473 1.054 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575021535 951063123 /nfs/dbraw/zinc/06/31/23/951063123.db2.gz CURZJYXOMCPQBP-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Cl)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575023224 951075968 /nfs/dbraw/zinc/07/59/68/951075968.db2.gz KMFKREZQOGTPPD-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575024730 951112287 /nfs/dbraw/zinc/11/22/87/951112287.db2.gz LOWVAYLRBVWJNR-ZDUSSCGKSA-N 1 0 378.436 1.710 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575029737 951188891 /nfs/dbraw/zinc/18/88/91/951188891.db2.gz XCUVYVLJGURMKN-RYUDHWBXSA-N 1 0 379.424 1.237 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575034921 951261026 /nfs/dbraw/zinc/26/10/26/951261026.db2.gz QOWDFNZJCUHOSB-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC001575038543 951323393 /nfs/dbraw/zinc/32/33/93/951323393.db2.gz JXOCSSASURDAGQ-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2cc[nH]c2c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575043938 951404689 /nfs/dbraw/zinc/40/46/89/951404689.db2.gz NCIRWEQIIOOCKW-LLVKDONJSA-N 1 0 377.412 1.038 20 0 GDADRO C[C@H](CNC(=O)c1cncc(F)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575046976 951450213 /nfs/dbraw/zinc/45/02/13/951450213.db2.gz WJKSTAIRWCGRHO-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1conc1C1CC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575055851 951513721 /nfs/dbraw/zinc/51/37/21/951513721.db2.gz ASNKMVJYHYYLCV-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1csc(=O)[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575059012 951537173 /nfs/dbraw/zinc/53/71/73/951537173.db2.gz XVFJZYPAUYWHRB-VIFPVBQESA-N 1 0 391.432 1.418 20 0 GDADRO C[C@H](CNC(=O)c1csc(=O)[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575059009 951537694 /nfs/dbraw/zinc/53/76/94/951537694.db2.gz XVFJZYPAUYWHRB-SECBINFHSA-N 1 0 391.432 1.418 20 0 GDADRO C[C@H](CNC(=O)c1occ2c1CCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575065283 951581354 /nfs/dbraw/zinc/58/13/54/951581354.db2.gz FXBJKHJBOJYDEG-LLVKDONJSA-N 1 0 384.415 1.996 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575069640 951645239 /nfs/dbraw/zinc/64/52/39/951645239.db2.gz LFGBXTXMAIOHHC-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](C[NH2+]C[C@@H](O)c1ccccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077168 951661800 /nfs/dbraw/zinc/66/18/00/951661800.db2.gz DYFFPJLJKVLZGJ-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCCCO1 ZINC001575077485 951669253 /nfs/dbraw/zinc/66/92/53/951669253.db2.gz FHAJSJBOGOTNDG-WBMJQRKESA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1c(F)cccc1F ZINC001575077659 951672616 /nfs/dbraw/zinc/67/26/16/951672616.db2.gz HUTXJGFMSPRLGU-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ncccc1O ZINC001575077843 951674729 /nfs/dbraw/zinc/67/47/29/951674729.db2.gz IONZTRHDVPYEMR-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)CCc1ccon1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078559 951682398 /nfs/dbraw/zinc/68/23/98/951682398.db2.gz NJFGMOCCGORVPR-LBPRGKRZSA-N 1 0 387.419 1.469 20 0 GDADRO C[C@](C[NH2+]CCC[C@@H]1CCOC1)(NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001575078588 951683157 /nfs/dbraw/zinc/68/31/57/951683157.db2.gz KXACPYLOFBMSRF-BFUOFWGJSA-N 1 0 387.488 1.500 20 0 GDADRO C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079918 951699665 /nfs/dbraw/zinc/69/96/65/951699665.db2.gz SXJBPDGAIOQCJS-HERUPUMHSA-N 1 0 382.390 1.749 20 0 GDADRO C[C@H](CNC(=O)c1cscn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080422 951708322 /nfs/dbraw/zinc/70/83/22/951708322.db2.gz LNGQIBRMIXRGQA-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575080672 951712459 /nfs/dbraw/zinc/71/24/59/951712459.db2.gz MODGZYZMDYNVEJ-QWHCGFSZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)CCc1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080733 951713874 /nfs/dbraw/zinc/71/38/74/951713874.db2.gz NGCGQKTZIKFYNU-LBPRGKRZSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]CC1CCC(F)(F)CC1 ZINC001575080711 951714630 /nfs/dbraw/zinc/71/46/30/951714630.db2.gz QWSCLFIJHZHXDJ-NSHDSACASA-N 1 0 381.431 1.976 20 0 GDADRO C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082055 951730974 /nfs/dbraw/zinc/73/09/74/951730974.db2.gz URAZUNMWEFWJSP-XDTLVQLUSA-N 1 0 382.390 1.749 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC1CCOCC1 ZINC001575082693 951735603 /nfs/dbraw/zinc/73/56/03/951735603.db2.gz YBFWZYWSEXMFLO-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001575088650 951741787 /nfs/dbraw/zinc/74/17/87/951741787.db2.gz ADFGALQLUIFKNB-ABAIWWIYSA-N 1 0 382.440 1.958 20 0 GDADRO C[C@@H](CNC(=O)c1ccsn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089584 951750591 /nfs/dbraw/zinc/75/05/91/951750591.db2.gz GUNDEDUWUCYLJP-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001575090112 951757055 /nfs/dbraw/zinc/75/70/55/951757055.db2.gz JOEJQDJCWHEYRC-QGZVFWFLSA-N 1 0 386.485 1.199 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090754 951765671 /nfs/dbraw/zinc/76/56/71/951765671.db2.gz LPAACKNOJNWSGC-ZDUSSCGKSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ccc(=O)[nH]c1 ZINC001575091223 951772455 /nfs/dbraw/zinc/77/24/55/951772455.db2.gz OMRSLADQSFGOTM-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C1CCC(O)CC1 ZINC001575091488 951777070 /nfs/dbraw/zinc/77/70/70/951777070.db2.gz SELCKRMPWKBBJU-LRVUVFPRSA-N 1 0 390.463 1.493 20 0 GDADRO CC(C)SCC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091911 951785493 /nfs/dbraw/zinc/78/54/93/951785493.db2.gz YOKWKQGNKFZDHR-GFCCVEGCSA-N 1 0 380.493 1.989 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cccc(=O)[nH]1 ZINC001575091936 951786524 /nfs/dbraw/zinc/78/65/24/951786524.db2.gz ZGPVAFBJSNVXJM-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(C2CC2)n1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092197 951790571 /nfs/dbraw/zinc/79/05/71/951790571.db2.gz AUQIRNJRMJDAAT-ZDUSSCGKSA-N 1 0 392.467 1.690 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001575092490 951792084 /nfs/dbraw/zinc/79/20/84/951792084.db2.gz CCIMHITZYURTHL-CQSZACIVSA-N 1 0 382.472 1.800 20 0 GDADRO C[C@@H](CNC(=O)c1c(F)cncc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092531 951795236 /nfs/dbraw/zinc/79/52/36/951795236.db2.gz DDRMMWYDYADTNQ-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093771 951800883 /nfs/dbraw/zinc/80/08/83/951800883.db2.gz KHPFODFEBMFCFZ-XDKFSHSGSA-N 1 0 384.484 1.524 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)nc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094370 951803977 /nfs/dbraw/zinc/80/39/77/951803977.db2.gz NFFCETZJHBWLNV-ZDUSSCGKSA-N 1 0 392.467 1.690 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575095527 951812345 /nfs/dbraw/zinc/81/23/45/951812345.db2.gz VFHGYDWUETXSOR-KBXCAEBGSA-N 1 0 391.479 1.928 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001575095778 951815195 /nfs/dbraw/zinc/81/51/95/951815195.db2.gz WMQKCSSXIUAREY-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cccc2nccn21 ZINC001575095956 951816897 /nfs/dbraw/zinc/81/68/97/951816897.db2.gz XRDMEHAQOARMAZ-CQSZACIVSA-N 1 0 390.451 1.765 20 0 GDADRO C[C@@H](CNC(=O)CC1CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098084 951820149 /nfs/dbraw/zinc/82/01/49/951820149.db2.gz AIONGODAJXCJSA-GFCCVEGCSA-N 1 0 378.502 1.587 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098146 951822573 /nfs/dbraw/zinc/82/25/73/951822573.db2.gz BMPMACCDVOITOY-CHWSQXEVSA-N 1 0 378.502 1.587 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101160 951856214 /nfs/dbraw/zinc/85/62/14/951856214.db2.gz ALAQQYVDAIMNSO-TZMCWYRMSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCC1(F)F 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GFBQSYKUINPPHM-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575108380 951924270 /nfs/dbraw/zinc/92/42/70/951924270.db2.gz LUMUOPDOZHDWED-RDTXWAMCSA-N 1 0 391.479 1.613 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CC(C)(C)CO1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113727 951945779 /nfs/dbraw/zinc/94/57/79/951945779.db2.gz DSABRQBICDRPPD-HOCLYGCPSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114306 951956386 /nfs/dbraw/zinc/95/63/86/951956386.db2.gz OWERWNKMCQHVFH-IFXJQAMLSA-N 1 0 392.463 1.712 20 0 GDADRO C[C@@H](CNC(=O)CCc1cccnc1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114322 951957040 /nfs/dbraw/zinc/95/70/40/951957040.db2.gz PGBLTJJNXMONSE-OAHLLOKOSA-N 1 0 379.468 1.736 20 0 GDADRO C[C@H](CNC(=O)[C@H]1COc2ccccc21)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115457 951964737 /nfs/dbraw/zinc/96/47/37/951964737.db2.gz XAHLNECLFQTHRG-KSSFIOAISA-N 1 0 392.463 1.885 20 0 GDADRO CC(C)c1cccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001575115501 951965133 /nfs/dbraw/zinc/96/51/33/951965133.db2.gz XLYZSLODTMDSTQ-CYBMUJFWSA-N 1 0 382.472 1.869 20 0 GDADRO C[C@H](C[NH2+]Cc1nccn1C(F)F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575116605 951971457 /nfs/dbraw/zinc/97/14/57/951971457.db2.gz GBSQAHLEQBSBES-SECBINFHSA-N 1 0 379.375 1.037 20 0 GDADRO C[C@@](C[NH2+]Cc1cncc(F)c1)(NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001575116766 951974003 /nfs/dbraw/zinc/97/40/03/951974003.db2.gz IATMVYQVHHAAHM-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575144293 952165272 /nfs/dbraw/zinc/16/52/72/952165272.db2.gz HOVBBJWKUNEVOS-KKSFZXQISA-N 1 0 389.463 1.720 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575144824 952171607 /nfs/dbraw/zinc/17/16/07/952171607.db2.gz MLIQEVLPOVMFRK-ZDUSSCGKSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575145184 952180618 /nfs/dbraw/zinc/18/06/18/952180618.db2.gz RXGOESGEBZIWSQ-LRDDRELGSA-N 1 0 377.399 1.426 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575145842 952188607 /nfs/dbraw/zinc/18/86/07/952188607.db2.gz DKEYIXSXMXNARF-LLVKDONJSA-N 1 0 384.444 1.542 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575146376 952193227 /nfs/dbraw/zinc/19/32/27/952193227.db2.gz JSELYTNPLPEPLZ-LLVKDONJSA-N 1 0 382.428 1.123 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575147115 952198979 /nfs/dbraw/zinc/19/89/79/952198979.db2.gz QIBICWRWJZBVDZ-ZDUSSCGKSA-N 1 0 380.456 1.322 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575147715 952201111 /nfs/dbraw/zinc/20/11/11/952201111.db2.gz UYNVAZWFCFGUPZ-GFCCVEGCSA-N 1 0 383.460 1.208 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[nH]n2)n1 ZINC001575157650 952265775 /nfs/dbraw/zinc/26/57/75/952265775.db2.gz OBAAWMFQKGMPEB-DZGCQCFKSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@@H](CNc1nc(Cl)c(-c2nn[nH]n2)s1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575165964 952317144 /nfs/dbraw/zinc/31/71/44/952317144.db2.gz RJGPXVUOHNCGMR-IUCAKERBSA-N 1 0 384.897 1.187 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575166274 952324429 /nfs/dbraw/zinc/32/44/29/952324429.db2.gz UKFIGCGOXIXQLE-RYUDHWBXSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@@H](CNc1snc(Cl)c1-c1nn[nH]n1)N(C)C(=O)CCC[NH+](C)C ZINC001575178120 952405549 /nfs/dbraw/zinc/40/55/49/952405549.db2.gz KNZWRGJAPSHWCJ-VIFPVBQESA-N 1 0 386.913 1.577 20 0 GDADRO C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575191797 952469850 /nfs/dbraw/zinc/46/98/50/952469850.db2.gz YSCFQRGARRGSPT-OLZOCXBDSA-N 1 0 383.431 1.618 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575197276 952481348 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ACYKMTJIAKBGDX-WOPDTQHZSA-N 1 0 377.399 1.235 20 0 GDADRO CC(F)(F)C(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC001575207921 952535734 /nfs/dbraw/zinc/53/57/34/952535734.db2.gz WBXPCGVKSNRYOY-CYBMUJFWSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124798 952545571 /nfs/dbraw/zinc/54/55/71/952545571.db2.gz UWNIQWKLYAGWGN-PWSUYJOCSA-N 1 0 377.399 1.235 20 0 GDADRO O=C(NC[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571127244 952552767 /nfs/dbraw/zinc/55/27/67/952552767.db2.gz CBGUCMDMNMXWDR-HQQUCIOCSA-N 1 0 377.452 1.960 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1csc(=O)[nH]1 ZINC001571127581 952558155 /nfs/dbraw/zinc/55/81/55/952558155.db2.gz JDINERJOCCRSEP-MRVPVSSYSA-N 1 0 377.455 1.095 20 0 GDADRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)ccn1 ZINC001571128322 952566151 /nfs/dbraw/zinc/56/61/51/952566151.db2.gz REDVSXPUOQVRGI-UHFFFAOYSA-N 1 0 377.452 1.965 20 0 GDADRO 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C[C@]12CN(C(=O)Cc3ccc[nH]3)C[C@H]1CN(c1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571135357 952602739 /nfs/dbraw/zinc/60/27/39/952602739.db2.gz UPVUSKFIPDGODX-YJYMSZOUSA-N 1 0 378.440 1.117 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[N@@H+]1CC1CC(F)(F)C1 ZINC001571139152 952619180 /nfs/dbraw/zinc/61/91/80/952619180.db2.gz DHTWIIFFFTWWIG-CMPLNLGQSA-N 1 0 379.415 1.823 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571139337 952620235 /nfs/dbraw/zinc/62/02/35/952620235.db2.gz GEKSNHLFWRBFHV-NWDGAFQWSA-N 1 0 379.415 1.824 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)c1cccc(=O)[nH]1 ZINC001571140770 952628765 /nfs/dbraw/zinc/62/87/65/952628765.db2.gz GAWLYQSJYVAOOD-AWEZNQCLSA-N 1 0 379.424 1.362 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cncnc1 ZINC001571141489 952633567 /nfs/dbraw/zinc/63/35/67/952633567.db2.gz HIRCWHWJXAKHPK-KRWDZBQOSA-N 1 0 378.440 1.441 20 0 GDADRO CS[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571141648 952634925 /nfs/dbraw/zinc/63/49/25/952634925.db2.gz JLLOIFGUGYGWDJ-YPMHNXCESA-N 1 0 378.477 1.838 20 0 GDADRO O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571146697 952651653 /nfs/dbraw/zinc/65/16/53/952651653.db2.gz LQLLOUXLMSDVHD-GFCCVEGCSA-N 1 0 379.428 1.001 20 0 GDADRO Cc1nnccc1C(=O)N1CCC(N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571147233 952658301 /nfs/dbraw/zinc/65/83/01/952658301.db2.gz URWGTDSVZWGERN-UHFFFAOYSA-N 1 0 379.428 1.101 20 0 GDADRO O=C(c1conc1C1CC1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571147561 952662658 /nfs/dbraw/zinc/66/26/58/952662658.db2.gz NSKWQSWVFWSPRO-AWEZNQCLSA-N 1 0 379.424 1.736 20 0 GDADRO C[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571150430 952668403 /nfs/dbraw/zinc/66/84/03/952668403.db2.gz AJYMVLHDPSXFGS-WMLDXEAASA-N 1 0 379.468 1.622 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571150428 952668477 /nfs/dbraw/zinc/66/84/77/952668477.db2.gz AJYMVLHDPSXFGS-PBHICJAKSA-N 1 0 379.468 1.622 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC001571151163 952673167 /nfs/dbraw/zinc/67/31/67/952673167.db2.gz MVKIFNSONMUZSO-HNNXBMFYSA-N 1 0 379.468 1.718 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cccn1C ZINC001571151683 952676659 /nfs/dbraw/zinc/67/66/59/952676659.db2.gz UOTMWDMETSHGGG-PBHICJAKSA-N 1 0 379.468 1.988 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CC1(F)F ZINC001571153955 952688790 /nfs/dbraw/zinc/68/87/90/952688790.db2.gz WYRULJGQHNHVIH-AAEUAGOBSA-N 1 0 380.374 1.742 20 0 GDADRO Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001571157950 952709175 /nfs/dbraw/zinc/70/91/75/952709175.db2.gz DICIVYFVPNBISL-GFCCVEGCSA-N 1 0 380.412 1.022 20 0 GDADRO Cc1cc(N[C@H]2C[C@@H](NC(=O)c3cnoc3C3CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571159053 952717633 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LSHOHQOISLDEQF-CLIRUNRCSA-N 1 0 380.449 1.136 20 0 GDADRO Cc1ccc(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC001571166759 952763813 /nfs/dbraw/zinc/76/38/13/952763813.db2.gz PWBXSFHGRLPQSA-JCNLHEQBSA-N 1 0 380.452 1.995 20 0 GDADRO C[C@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571166721 952764739 /nfs/dbraw/zinc/76/47/39/952764739.db2.gz OZACGJOWYHOWRG-XJKSGUPXSA-N 1 0 380.456 1.159 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001571167009 952769313 /nfs/dbraw/zinc/76/93/13/952769313.db2.gz SHEUHEAJARIVOW-CJNGLKHVSA-N 1 0 380.456 1.094 20 0 GDADRO CCc1n[nH]cc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571167233 952771293 /nfs/dbraw/zinc/77/12/93/952771293.db2.gz ZHKJBOYXDSGIFF-CQSZACIVSA-N 1 0 380.456 1.499 20 0 GDADRO Cc1cccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571169376 952772647 /nfs/dbraw/zinc/77/26/47/952772647.db2.gz AVDZQXXLWVOTNY-UONOGXRCSA-N 1 0 380.456 1.587 20 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Cc1cc(N[C@H]2CN(C(=O)c3cccn3C)CC2(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169661 952777194 /nfs/dbraw/zinc/77/71/94/952777194.db2.gz JVQVOPYANDYJGB-INIZCTEOSA-N 1 0 380.456 1.293 20 0 GDADRO Cc1ncc(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@H]2C)n1C ZINC001571170115 952782493 /nfs/dbraw/zinc/78/24/93/952782493.db2.gz SVWORGSWOYPOII-IUODEOHRSA-N 1 0 380.456 1.301 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001571170058 952782674 /nfs/dbraw/zinc/78/26/74/952782674.db2.gz RPTVVBKLNMCTHG-UHFFFAOYSA-N 1 0 380.456 1.574 20 0 GDADRO Cc1ncc(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@H]2C)n1C ZINC001571170114 952782842 /nfs/dbraw/zinc/78/28/42/952782842.db2.gz SVWORGSWOYPOII-DOMZBBRYSA-N 1 0 380.456 1.301 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC001571170100 952783131 /nfs/dbraw/zinc/78/31/31/952783131.db2.gz SRVGHRCQMASNFA-MLGOLLRUSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1nc(C)c(C(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)[nH]1 ZINC001571170448 952785984 /nfs/dbraw/zinc/78/59/84/952785984.db2.gz UQBOQPMESRMJFD-ZBEGNZNMSA-N 1 0 380.456 1.599 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC001571171730 952797146 /nfs/dbraw/zinc/79/71/46/952797146.db2.gz FJDGQQAXQSVEAD-OAHLLOKOSA-N 1 0 380.456 1.385 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1cc(Br)ccc1-c1nn[nH]n1 ZINC001571172106 952801888 /nfs/dbraw/zinc/80/18/88/952801888.db2.gz MKVMNMAZUOVALL-GHMZBOCLSA-N 1 0 381.278 1.521 20 0 GDADRO Cn1cccc1C(=O)N1CCCCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571172366 952807282 /nfs/dbraw/zinc/80/72/82/952807282.db2.gz UCWLWGQRINDBHA-AWEZNQCLSA-N 1 0 380.456 1.519 20 0 GDADRO O=C(Cc1ccon1)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571180235 952858903 /nfs/dbraw/zinc/85/89/03/952858903.db2.gz MWZWKTSDPSUYPS-WKILWMFISA-N 1 0 381.440 1.614 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571181837 952866128 /nfs/dbraw/zinc/86/61/28/952866128.db2.gz YSYOCDQCRHBMQR-OAHLLOKOSA-N 1 0 381.440 1.805 20 0 GDADRO COc1ccc(C[NH+]2CC([C@H](C)NC(=O)c3ccc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571182706 952867149 /nfs/dbraw/zinc/86/71/49/952867149.db2.gz CERBNZYPRDGISF-LBPRGKRZSA-N 1 0 381.440 1.454 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)c2cccn2C)C1 ZINC001571182641 952867163 /nfs/dbraw/zinc/86/71/63/952867163.db2.gz AFOKCNNGKLRMKA-HNNXBMFYSA-N 1 0 381.440 1.218 20 0 GDADRO CO[C@H](C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)c1ccccc1 ZINC001571182730 952868258 /nfs/dbraw/zinc/86/82/58/952868258.db2.gz CUXJQXKQCQFGLF-WMLDXEAASA-N 1 0 381.440 1.387 20 0 GDADRO O=C(c1ccccn1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571183118 952873473 /nfs/dbraw/zinc/87/34/73/952873473.db2.gz PAJWOUYIMXFXJR-CQSZACIVSA-N 1 0 381.415 1.795 20 0 GDADRO CCc1ocnc1C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571183382 952877284 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Cc1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)[nH]n1 ZINC001571239900 953244016 /nfs/dbraw/zinc/24/40/16/953244016.db2.gz UIEUIHHCBIOVJV-ZDUSSCGKSA-N 1 0 384.419 1.432 20 0 GDADRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1n[nH]cc1F ZINC001571241473 953246375 /nfs/dbraw/zinc/24/63/75/953246375.db2.gz AHMQUHLKFFXNBN-HDJSIYSDSA-N 1 0 384.419 1.560 20 0 GDADRO Cc1cc(N(C)C[C@@H]2CCCN2C(=O)c2cc(F)c[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571241874 953250807 /nfs/dbraw/zinc/25/08/07/953250807.db2.gz OESAWTQMDWNROG-ZDUSSCGKSA-N 1 0 384.419 1.778 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cn1 ZINC001571241930 953251360 /nfs/dbraw/zinc/25/13/60/953251360.db2.gz PZZGRYYOZDUBDF-OAHLLOKOSA-N 1 0 384.419 1.513 20 0 GDADRO O=C(C1=COCCO1)N1CCC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571242090 953252988 /nfs/dbraw/zinc/25/29/88/953252988.db2.gz UTCPSJXHBQZRGF-UHFFFAOYSA-N 1 0 384.440 1.083 20 0 GDADRO Cc1ccnc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001571245816 953277267 /nfs/dbraw/zinc/27/72/67/953277267.db2.gz ZJBNGCKUSCAASS-QGZVFWFLSA-N 1 0 384.469 1.421 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC001571246353 953282291 /nfs/dbraw/zinc/28/22/91/953282291.db2.gz YSJLKGXGMLDHQD-BXUZGUMPSA-N 1 0 384.469 1.359 20 0 GDADRO C[C@@H]1COCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571247684 953285374 /nfs/dbraw/zinc/28/53/74/953285374.db2.gz CGYLHICSICYPTK-MUIFIZLQSA-N 1 0 384.484 1.524 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@@H]1CCCN1C(=O)[C@]1(C)CCOC1 ZINC001571247799 953286040 /nfs/dbraw/zinc/28/60/40/953286040.db2.gz FIVWFPQUPLFIGG-OXJNMPFZSA-N 1 0 384.484 1.716 20 0 GDADRO C[C@@H]1CN(C(=O)CC2CCOCC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571247911 953286907 /nfs/dbraw/zinc/28/69/07/953286907.db2.gz IEIFGXXAIUEGMS-KDOFPFPSSA-N 1 0 384.484 1.620 20 0 GDADRO CO[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001571247841 953286971 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CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000179463491 530742120 /nfs/dbraw/zinc/74/21/20/530742120.db2.gz AZROLGGKTNJJTI-JQFCIGGWSA-N 1 0 390.933 1.792 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000056947145 530721701 /nfs/dbraw/zinc/72/17/01/530721701.db2.gz QJZGQWHHWRJADJ-XHSDSOJGSA-N 1 0 376.567 1.324 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH3+])C2)ccc1Br ZINC000178528937 530722188 /nfs/dbraw/zinc/72/21/88/530722188.db2.gz HDBWYRZTVCLCOL-SNVBAGLBSA-N 1 0 390.303 1.120 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000178575486 530723171 /nfs/dbraw/zinc/72/31/71/530723171.db2.gz YDLCVMDFLFCLQQ-SNVBAGLBSA-N 1 0 380.297 1.469 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000178734366 530726651 /nfs/dbraw/zinc/72/66/51/530726651.db2.gz UORPDIGYCJFIHB-LSDHHAIUSA-N 1 0 398.301 1.635 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)C1 ZINC000178967190 530732881 /nfs/dbraw/zinc/73/28/81/530732881.db2.gz ZAWOJTWMGBTTPW-AWEZNQCLSA-N 1 0 385.555 1.850 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccnc3Br)CC[C@@H]21 ZINC000179892024 530752616 /nfs/dbraw/zinc/75/26/16/530752616.db2.gz AFZMTFAMLGYPEE-AAEUAGOBSA-N 1 0 381.274 1.725 20 0 GDADRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000179944173 530753833 /nfs/dbraw/zinc/75/38/33/530753833.db2.gz LBNKGWHDNYANFR-ZDUSSCGKSA-N 1 0 387.571 1.778 20 0 GDADRO CC(C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000065962674 530757221 /nfs/dbraw/zinc/75/72/21/530757221.db2.gz NCOKDDUSHFZGJJ-UHFFFAOYSA-N 1 0 387.933 1.761 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000066137198 530758591 /nfs/dbraw/zinc/75/85/91/530758591.db2.gz WOBWYQYKGRGFNM-OLZOCXBDSA-N 1 0 375.922 1.853 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000066127216 530758878 /nfs/dbraw/zinc/75/88/78/530758878.db2.gz HVWSWGHHHVJIBG-LBPRGKRZSA-N 1 0 377.457 1.480 20 0 GDADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000063727712 530747398 /nfs/dbraw/zinc/74/73/98/530747398.db2.gz IWBIXIJDWUMBCM-UHFFFAOYSA-N 1 0 381.278 1.833 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000180822139 530772125 /nfs/dbraw/zinc/77/21/25/530772125.db2.gz IIWSCYVSTWWFAB-OAHLLOKOSA-N 1 0 388.555 1.561 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000067317306 530775114 /nfs/dbraw/zinc/77/51/14/530775114.db2.gz QKUJBQLTKZECSE-UHFFFAOYSA-N 1 0 379.429 1.773 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000181177542 530779751 /nfs/dbraw/zinc/77/97/51/530779751.db2.gz NZBXRQIJBHUKHK-AAEUAGOBSA-N 1 0 381.278 1.553 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCc1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180529161 530767254 /nfs/dbraw/zinc/76/72/54/530767254.db2.gz PBMWDYACIMWWPW-CYBMUJFWSA-N 1 0 381.523 1.965 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000069527692 530797638 /nfs/dbraw/zinc/79/76/38/530797638.db2.gz VOGUBQOGTNPIHG-CYBMUJFWSA-N 1 0 388.295 1.950 20 0 GDADRO CN(C1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1)S(C)(=O)=O ZINC000069631051 530798399 /nfs/dbraw/zinc/79/83/99/530798399.db2.gz QYWRGGIXRCHVRD-CQSZACIVSA-N 1 0 388.559 1.416 20 0 GDADRO Cc1nn(C)c(Cl)c1C[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000182403068 530798621 /nfs/dbraw/zinc/79/86/21/530798621.db2.gz CPYBMIXIQSHAGY-UHFFFAOYSA-N 1 0 390.937 1.445 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cnc1Br ZINC000182708035 530803451 /nfs/dbraw/zinc/80/34/51/530803451.db2.gz UWDCDCWPQCKLTC-NSHDSACASA-N 1 0 383.290 1.939 20 0 GDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnc(Br)c(C)c2)C1 ZINC000182717523 530803629 /nfs/dbraw/zinc/80/36/29/530803629.db2.gz BLMBEUIURQABAY-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000071149870 530804159 /nfs/dbraw/zinc/80/41/59/530804159.db2.gz YUIBNSSKMNAZBZ-UHFFFAOYSA-N 1 0 380.283 1.114 20 0 GDADRO 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PLTXELCHZONZTD-UHFFFAOYSA-N 1 0 389.880 1.408 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000185049464 530836043 /nfs/dbraw/zinc/83/60/43/530836043.db2.gz ATTJGPOBUUMDFA-LOWVWBTDSA-N 1 0 387.299 1.662 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000183116049 530809349 /nfs/dbraw/zinc/80/93/49/530809349.db2.gz LJFJQRGBUQXFPT-LLVKDONJSA-N 1 0 377.260 1.348 20 0 GDADRO CN(CC[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1cccs1 ZINC000183362209 530814245 /nfs/dbraw/zinc/81/42/45/530814245.db2.gz JYHIDVHYIIOWMO-STQMWFEESA-N 1 0 380.557 1.314 20 0 GDADRO CCC[NH+]1CCC(N(C)C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000098035999 530822223 /nfs/dbraw/zinc/82/22/23/530822223.db2.gz JPFOTBWNZZQWMD-UHFFFAOYSA-N 1 0 381.278 1.833 20 0 GDADRO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916685 530826175 /nfs/dbraw/zinc/82/61/75/530826175.db2.gz HMWDCXKLYSWJLO-JTQLQIEISA-N 1 0 397.273 1.683 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000106533095 530848478 /nfs/dbraw/zinc/84/84/78/530848478.db2.gz WNMQGUXJSZKAIO-LBPRGKRZSA-N 1 0 389.331 1.735 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000106895157 530851053 /nfs/dbraw/zinc/85/10/53/530851053.db2.gz RKDAQAWDJZZPFY-NSHDSACASA-N 1 0 383.411 1.759 20 0 GDADRO CCOC(=O)c1nn(C)cc1CNCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000186325676 530855476 /nfs/dbraw/zinc/85/54/76/530855476.db2.gz CYKMFFWULQDPQP-UHFFFAOYSA-N 1 0 385.873 1.814 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000186718431 530860760 /nfs/dbraw/zinc/86/07/60/530860760.db2.gz YMGYKPDXWJDOCY-UHFFFAOYSA-N 1 0 390.303 1.263 20 0 GDADRO Cn1cc(Br)c(=O)c(NC(=O)c2ccnc(OCC[NH+](C)C)c2)c1 ZINC000186781027 530862448 /nfs/dbraw/zinc/86/24/48/530862448.db2.gz KEXKEYNMSHPMRV-UHFFFAOYSA-N 1 0 395.257 1.736 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000109331117 530862499 /nfs/dbraw/zinc/86/24/99/530862499.db2.gz 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C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000192052362 530960551 /nfs/dbraw/zinc/96/05/51/530960551.db2.gz CIOPQXARDRHENQ-QWHCGFSZSA-N 1 0 398.301 1.482 20 0 GDADRO Cn1nc(Br)cc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000192098594 530961722 /nfs/dbraw/zinc/96/17/22/530961722.db2.gz ULMQGHGUOBBGMZ-UHFFFAOYSA-N 1 0 385.306 1.948 20 0 GDADRO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@H](C)CO ZINC000190812277 530937772 /nfs/dbraw/zinc/93/77/72/530937772.db2.gz QYNIUEPRHLNFRV-WDEREUQCSA-N 1 0 377.254 1.980 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192226456 530964809 /nfs/dbraw/zinc/96/48/09/530964809.db2.gz WTRPVYNSBXKOCG-GFCCVEGCSA-N 1 0 385.711 1.693 20 0 GDADRO COC(=O)[C@H](c1cccc(Br)c1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000120616822 530943435 /nfs/dbraw/zinc/94/34/35/530943435.db2.gz VUUUEOCLSWREHU-INIZCTEOSA-N 1 0 398.301 1.369 20 0 GDADRO C[NH+]1CCN(CCNC(=O)Cc2ccc(I)cc2)CC1 ZINC000191492922 530949633 /nfs/dbraw/zinc/94/96/33/530949633.db2.gz 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CC(C)[C@@](C)([NH2+]CC(=O)N1CCNC(=O)C1)c1ccc(Br)cc1 ZINC000192373021 530967522 /nfs/dbraw/zinc/96/75/22/530967522.db2.gz IFBDKKMDOOAXLF-QGZVFWFLSA-N 1 0 382.302 1.868 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]2C1 ZINC000192502144 530969207 /nfs/dbraw/zinc/96/92/07/530969207.db2.gz WGDYOHHZHZPBAU-ZENOOKHLSA-N 1 0 392.297 1.822 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)CC[C@@H]21 ZINC000122397131 530971347 /nfs/dbraw/zinc/97/13/47/530971347.db2.gz YZBKRINSVDJVMH-WBVHZDCISA-N 1 0 386.539 1.336 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000124099517 530991807 /nfs/dbraw/zinc/99/18/07/530991807.db2.gz WGBLKBGKRLTGGP-OAHLLOKOSA-N 1 0 382.302 1.679 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000193560613 530989023 /nfs/dbraw/zinc/98/90/23/530989023.db2.gz XJUUCKPVYDRLEB-IINYFYTJSA-N 1 0 386.265 1.965 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000125653417 531009446 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1.460 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cncc(I)c1 ZINC000127861163 531034861 /nfs/dbraw/zinc/03/48/61/531034861.db2.gz YJLKRSYFBZATNZ-ZDUSSCGKSA-N 1 0 391.253 1.773 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000127855138 531034912 /nfs/dbraw/zinc/03/49/12/531034912.db2.gz RIEOBBHJGWHUMC-YDHLFZDLSA-N 1 0 387.933 1.948 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2Cl)CC1 ZINC000127238661 531027535 /nfs/dbraw/zinc/02/75/35/531027535.db2.gz UCXFTSOQYHAGNH-UHFFFAOYSA-N 1 0 387.933 1.823 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1csc(I)c1 ZINC000225767001 531031641 /nfs/dbraw/zinc/03/16/41/531031641.db2.gz RCBJTPGFBLMFRI-JTQLQIEISA-N 1 0 379.267 1.328 20 0 GDADRO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc(I)cc1 ZINC000229590840 531033743 /nfs/dbraw/zinc/03/37/43/531033743.db2.gz BIBSDTSAMHUBQX-BXKDBHETSA-N 1 0 380.251 1.710 20 0 GDADRO CC(C)(C)[NH+]1CCC(NC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000194183056 531000499 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CO[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)[C@@H](C[NH3+])C1 ZINC000232293914 531036501 /nfs/dbraw/zinc/03/65/01/531036501.db2.gz SLEZMIMNZPISRM-ZJUUUORDSA-N 1 0 381.267 1.715 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000236572380 531037873 /nfs/dbraw/zinc/03/78/73/531037873.db2.gz VWJSATIHCGTMCV-CHWSQXEVSA-N 1 0 380.286 1.918 20 0 GDADRO O=C(C[C@H]1CSCC[NH2+]1)NCCNC(=O)c1cccc(Br)c1 ZINC000236630822 531038510 /nfs/dbraw/zinc/03/85/10/531038510.db2.gz SYFNFDLCNHRDAF-ZDUSSCGKSA-N 1 0 386.315 1.390 20 0 GDADRO O=C(NCCNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000236668919 531039043 /nfs/dbraw/zinc/03/90/43/531039043.db2.gz VTMGBIKIHKKTPH-AWEZNQCLSA-N 1 0 380.286 1.685 20 0 GDADRO CC(C)(CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1cccc(Br)c1 ZINC000236665779 531039050 /nfs/dbraw/zinc/03/90/50/531039050.db2.gz CWNGUVXANAHSOA-ZDUSSCGKSA-N 1 0 391.331 1.605 20 0 GDADRO O=C(CCN1C(=O)COc2cc(Br)ccc21)N[C@@H]1CCC[NH2+]C1 ZINC000236756442 531039761 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CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCC1 ZINC000519758435 531219336 /nfs/dbraw/zinc/21/93/36/531219336.db2.gz FMQHBBHNDVJNBZ-CYBMUJFWSA-N 1 0 392.315 1.746 20 0 GDADRO CC(C)[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000433141102 531217656 /nfs/dbraw/zinc/21/76/56/531217656.db2.gz MAIYMELFPNSRNI-NSHDSACASA-N 1 0 379.935 1.465 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000519752387 531219544 /nfs/dbraw/zinc/21/95/44/531219544.db2.gz SNDJLWSXRKAXBD-GFCCVEGCSA-N 1 0 393.962 1.963 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)s1 ZINC000276694319 531222781 /nfs/dbraw/zinc/22/27/81/531222781.db2.gz NCRPGWHISHIONA-UHFFFAOYSA-N 1 0 379.507 1.274 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)C1 ZINC000408208386 531225376 /nfs/dbraw/zinc/22/53/76/531225376.db2.gz WFLLITNXSFXAOI-NVXWUHKLSA-N 1 0 375.579 1.766 20 0 GDADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCSC[C@H](C)C1 ZINC000276796902 531229396 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O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000521582417 531248229 /nfs/dbraw/zinc/24/82/29/531248229.db2.gz MUPHYRIAGZVGMD-HNNXBMFYSA-N 1 0 388.212 1.878 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000521626312 531249899 /nfs/dbraw/zinc/24/98/99/531249899.db2.gz GKODMAXBADWPDB-DGCLKSJQSA-N 1 0 389.315 1.857 20 0 GDADRO O=S1(=O)C[C@@H]([NH2+]CCSc2ccc(Cl)cc2)[C@H](N2CCOCC2)C1 ZINC000265405370 531250957 /nfs/dbraw/zinc/25/09/57/531250957.db2.gz ZKUOEJUVVQVZAZ-HZPDHXFCSA-N 1 0 390.958 1.520 20 0 GDADRO CCOc1c(OC)cc(C[NH2+]CCNS(=O)(=O)NC(C)C)cc1OC ZINC000277035398 531251440 /nfs/dbraw/zinc/25/14/40/531251440.db2.gz OLTNJOSGSRIOHE-UHFFFAOYSA-N 1 0 375.491 1.025 20 0 GDADRO CC1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC[NH2+]CC1 ZINC000521217576 531241603 /nfs/dbraw/zinc/24/16/03/531241603.db2.gz AGNIEFRGFWBAMD-LSDHHAIUSA-N 1 0 394.313 1.927 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 ZINC000521319779 531243860 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394.313 1.920 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCc2cccc(Br)c2C1 ZINC000265469933 531256388 /nfs/dbraw/zinc/25/63/88/531256388.db2.gz IKRVQCLEJHSTMU-JSGCOSHPSA-N 1 0 394.313 1.920 20 0 GDADRO C[C@H]1Cc2cc(S(=O)(=O)N3CCC([N@H+](C)CCO)CC3)cc(Cl)c2O1 ZINC000265467432 531256530 /nfs/dbraw/zinc/25/65/30/531256530.db2.gz WFTYINAROMVYAF-LBPRGKRZSA-N 1 0 388.917 1.741 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)ccc1OC(F)F ZINC000277164704 531262244 /nfs/dbraw/zinc/26/22/44/531262244.db2.gz RJHNCCMEQSIQSH-NSHDSACASA-N 1 0 381.445 1.780 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000521842833 531253205 /nfs/dbraw/zinc/25/32/05/531253205.db2.gz NWEJISRNNLTGCL-KGLIPLIRSA-N 1 0 386.543 1.152 20 0 GDADRO NC(=O)[C@H]1CCCN1CCCNS(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000521836189 531253222 /nfs/dbraw/zinc/25/32/22/531253222.db2.gz YXGJDHDZCGRZBJ-CQSZACIVSA-N 1 0 375.441 1.383 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)CNS(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000290977374 531268966 /nfs/dbraw/zinc/26/89/66/531268966.db2.gz TVIDTJSOTHRLRR-CQSZACIVSA-N 1 0 385.486 1.585 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000290920151 531264821 /nfs/dbraw/zinc/26/48/21/531264821.db2.gz NTYZBTIJZIJHAB-ZFWWWQNUSA-N 1 0 385.917 1.704 20 0 GDADRO CN(CC(=O)NCC(=O)Nc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435623964 531265289 /nfs/dbraw/zinc/26/52/89/531265289.db2.gz IKZOIMNQGLNNES-CYBMUJFWSA-N 1 0 397.317 1.578 20 0 GDADRO C[C@H]1CSCC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000265647810 531274532 /nfs/dbraw/zinc/27/45/32/531274532.db2.gz LTVLUWNFTWCTCK-HNNXBMFYSA-N 1 0 386.539 1.524 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000277348871 531274592 /nfs/dbraw/zinc/27/45/92/531274592.db2.gz BJXARIMSGKKZDH-CABZTGNLSA-N 1 0 375.288 1.580 20 0 GDADRO CNS(=O)(=O)c1cc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)ccc1F ZINC000291140154 531277250 /nfs/dbraw/zinc/27/72/50/531277250.db2.gz WHQUOXOIIKRXTB-INIZCTEOSA-N 1 0 375.441 1.885 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C[N@@H+]1CCC[C@@H](CNc2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000527134778 531315059 /nfs/dbraw/zinc/31/50/59/531315059.db2.gz AWFSIUOHDZWCKT-VIFPVBQESA-N 1 0 380.283 1.989 20 0 GDADRO CC(C)Cc1ncnc(NC[C@](C)(O)C[NH+](C)C)c1I ZINC000439166677 531315891 /nfs/dbraw/zinc/31/58/91/531315891.db2.gz HQNFHSARYZRLIM-AWEZNQCLSA-N 1 0 392.285 2.004 20 0 GDADRO CC1(C)CN(CCNC(=O)c2nc(C3CC3)ncc2Br)CCO1 ZINC000291892803 531321159 /nfs/dbraw/zinc/32/11/59/531321159.db2.gz YORKNUYPOZTLAY-UHFFFAOYSA-N 1 0 383.290 1.957 20 0 GDADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000411429463 531322044 /nfs/dbraw/zinc/32/20/44/531322044.db2.gz MKHLZQAHKGCAEB-LBPRGKRZSA-N 1 0 386.290 1.886 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000477028552 531322646 /nfs/dbraw/zinc/32/26/46/531322646.db2.gz NKCMWUFJXOXLBE-LBPRGKRZSA-N 1 0 387.322 1.593 20 0 GDADRO C[NH+](C)CCCN(C(=O)Cc1cccc(Cl)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000291905735 531322679 /nfs/dbraw/zinc/32/26/79/531322679.db2.gz 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COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415387305 531481487 /nfs/dbraw/zinc/48/14/87/531481487.db2.gz CRPPPMNMKHQSFC-SECBINFHSA-N 1 0 388.251 1.834 20 0 GDADRO CO[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@@H]1OC ZINC000488040450 531481562 /nfs/dbraw/zinc/48/15/62/531481562.db2.gz DXOMHQLNFIUKOC-YUELXQCFSA-N 1 0 378.238 1.674 20 0 GDADRO CC[NH+](CC)CCN(C(=O)[C@H]1CC12CCSCC2)[C@H]1CCS(=O)(=O)C1 ZINC000450378463 531493397 /nfs/dbraw/zinc/49/33/97/531493397.db2.gz NHQFMJZTSMYKFI-JKSUJKDBSA-N 1 0 388.599 1.877 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000268193272 531483694 /nfs/dbraw/zinc/48/36/94/531483694.db2.gz NHTDEJIWBIVWOV-DOMZBBRYSA-N 1 0 385.917 1.607 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000415409832 531484428 /nfs/dbraw/zinc/48/44/28/531484428.db2.gz JCDUBMVMIZZKNL-LLVKDONJSA-N 1 0 384.274 1.902 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)CC[C@H]1[NH3+] ZINC000415429296 531485133 /nfs/dbraw/zinc/48/51/33/531485133.db2.gz DPHUAKUVPPLETJ-NXEZZACHSA-N 1 0 392.257 1.527 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(I)cn1 ZINC000415428852 531485261 /nfs/dbraw/zinc/48/52/61/531485261.db2.gz PGFUICUQYJLUMC-SNVBAGLBSA-N 1 0 390.225 1.114 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1I ZINC000415436447 531485801 /nfs/dbraw/zinc/48/58/01/531485801.db2.gz JPTCYCONOMMTIQ-SNVBAGLBSA-N 1 0 375.210 1.329 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000544184240 531486128 /nfs/dbraw/zinc/48/61/28/531486128.db2.gz VUEJKHJRTUPANN-CVEARBPZSA-N 1 0 375.535 1.360 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000415449844 531487253 /nfs/dbraw/zinc/48/72/53/531487253.db2.gz VWFQWNWIGBXYRS-LBPRGKRZSA-N 1 0 389.237 1.638 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000488654692 531487627 /nfs/dbraw/zinc/48/76/27/531487627.db2.gz AGUSJISCAPEOSL-CQSZACIVSA-N 1 0 392.269 1.499 20 0 GDADRO C[C@](O)(C[N@@H+]1CC[C@](O)(C(N)=O)C1)c1ccc(Br)cc1Cl ZINC000294596995 531487765 /nfs/dbraw/zinc/48/77/65/531487765.db2.gz NJSZLXVADPXPJP-UONOGXRCSA-N 1 0 377.666 1.232 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000415461194 531488069 /nfs/dbraw/zinc/48/80/69/531488069.db2.gz ZNDORIIIHLDIKQ-ZDUSSCGKSA-N 1 0 382.251 1.971 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cn1cc(Br)ccc1=O ZINC000363492243 531488456 /nfs/dbraw/zinc/48/84/56/531488456.db2.gz ZYUBYFFPDICMLR-RBSFLKMASA-N 1 0 398.301 1.321 20 0 GDADRO COc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1I ZINC000545156661 531488621 /nfs/dbraw/zinc/48/86/21/531488621.db2.gz XTKHVDNPIVZDSG-AWEZNQCLSA-N 1 0 390.221 1.096 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000415464598 531488625 /nfs/dbraw/zinc/48/86/25/531488625.db2.gz DDMJKBKINAOSLA-RYUDHWBXSA-N 1 0 390.209 1.171 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)NCC(C)(C)[NH3+])ccc1Br ZINC000415465884 531488944 /nfs/dbraw/zinc/48/89/44/531488944.db2.gz GMSIRGPERYCXTP-UHFFFAOYSA-N 1 0 386.246 1.336 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000280338261 531489004 /nfs/dbraw/zinc/48/90/04/531489004.db2.gz SEHOQQQPKWATKA-UHFFFAOYSA-N 1 0 394.317 1.725 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(F)cc2I)C1 ZINC000545154604 531489352 /nfs/dbraw/zinc/48/93/52/531489352.db2.gz VFWMXXQZNNGYBP-CYBMUJFWSA-N 1 0 378.185 1.227 20 0 GDADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000415470681 531489653 /nfs/dbraw/zinc/48/96/53/531489653.db2.gz ONBCTTWZCOIMGT-NSHDSACASA-N 1 0 383.239 1.462 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000415492902 531490718 /nfs/dbraw/zinc/49/07/18/531490718.db2.gz LQHBLJMUKBEOQH-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000415494425 531490804 /nfs/dbraw/zinc/49/08/04/531490804.db2.gz MKJHSRDWZJDREG-JTQLQIEISA-N 1 0 398.257 1.385 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415518992 531491507 /nfs/dbraw/zinc/49/15/07/531491507.db2.gz JEPGPOKQMYNDIO-DTWKUNHWSA-N 1 0 388.251 1.914 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1)C1CC1 ZINC000415539249 531492576 /nfs/dbraw/zinc/49/25/76/531492576.db2.gz LNGUHSMYWWCYMO-ZDUSSCGKSA-N 1 0 382.917 1.685 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415540510 531492783 /nfs/dbraw/zinc/49/27/83/531492783.db2.gz YBDQOVLZXNCVGW-UHFFFAOYSA-N 1 0 380.164 1.742 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000415539133 531492853 /nfs/dbraw/zinc/49/28/53/531492853.db2.gz LKUCKPWQESOLFH-UHFFFAOYSA-N 1 0 376.226 1.187 20 0 GDADRO O=C(c1cccnc1-n1cc(Br)cn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000294719022 531492934 /nfs/dbraw/zinc/49/29/34/531492934.db2.gz UWLWDVYQJRCAHF-ZDUSSCGKSA-N 1 0 376.258 1.950 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(I)c2)CC[NH2+]1 ZINC000415660821 531511000 /nfs/dbraw/zinc/51/10/00/531511000.db2.gz OCZODVCUHXXJFH-CABZTGNLSA-N 1 0 387.221 1.486 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccccc1I ZINC000415667707 531512650 /nfs/dbraw/zinc/51/26/50/531512650.db2.gz YRKAOIZSUFBYSJ-KOLCDFICSA-N 1 0 387.221 1.344 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363864348 531513266 /nfs/dbraw/zinc/51/32/66/531513266.db2.gz WLQNXROZCDHLLG-CHWSQXEVSA-N 1 0 389.283 1.930 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NCc1nc2ccccn2c1Br ZINC000295008471 531513498 /nfs/dbraw/zinc/51/34/98/531513498.db2.gz JGWBHLLZVOQXAW-SNVBAGLBSA-N 1 0 375.292 1.514 20 0 GDADRO CC1(NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC[NH2+]CC1 ZINC000415682363 531513752 /nfs/dbraw/zinc/51/37/52/531513752.db2.gz RWWWCKCJSAUCKE-UHFFFAOYSA-N 1 0 398.305 1.944 20 0 GDADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489911237 531513884 /nfs/dbraw/zinc/51/38/84/531513884.db2.gz YZTAWXKCRNFSBP-OAHLLOKOSA-N 1 0 385.339 1.931 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450846734 531514673 /nfs/dbraw/zinc/51/46/73/531514673.db2.gz OYYSBIFOIYTRKU-QZTJIDSGSA-N 1 0 375.579 1.622 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489944689 531515226 /nfs/dbraw/zinc/51/52/26/531515226.db2.gz ZWPZQWBAZRWZFG-BBRMVZONSA-N 1 0 381.318 1.756 20 0 GDADRO Cc1c(Cl)cc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000489968217 531516288 /nfs/dbraw/zinc/51/62/88/531516288.db2.gz VZSXKARCOJSZFK-LBPRGKRZSA-N 1 0 378.325 1.970 20 0 GDADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415719609 531519767 /nfs/dbraw/zinc/51/97/67/531519767.db2.gz CQJAKMLUDJLOMV-GFCCVEGCSA-N 1 0 399.264 1.033 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2cc(F)ccc2Br)CCC[NH2+]1 ZINC000415706341 531517334 /nfs/dbraw/zinc/51/73/34/531517334.db2.gz KZCFHEATBRWHJW-OAHLLOKOSA-N 1 0 388.237 1.412 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000415708058 531517341 /nfs/dbraw/zinc/51/73/41/531517341.db2.gz NMESBDLBYKMBIU-UHFFFAOYSA-N 1 0 388.262 1.902 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2ccc(Br)cc2C)CCC[NH2+]1 ZINC000415712692 531518589 /nfs/dbraw/zinc/51/85/89/531518589.db2.gz VSQWFSZCYFDQLL-INIZCTEOSA-N 1 0 384.274 1.581 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415713262 531518607 /nfs/dbraw/zinc/51/86/07/531518607.db2.gz RSYRIUKCTXSYHC-CQSZACIVSA-N 1 0 395.301 1.202 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NCCCC[NH3+] ZINC000415555048 531494383 /nfs/dbraw/zinc/49/43/83/531494383.db2.gz BCOXETPLQCICFF-UHFFFAOYSA-N 1 0 375.210 1.393 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(I)cc2)[C@@H](C)C[NH2+]1 ZINC000415567822 531495780 /nfs/dbraw/zinc/49/57/80/531495780.db2.gz QKNRHOKREQOTCZ-UWVGGRQHSA-N 1 0 387.221 1.439 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NCCCC[NH3+] ZINC000415575445 531496539 /nfs/dbraw/zinc/49/65/39/531496539.db2.gz WYDAZSSPDCGCHA-UHFFFAOYSA-N 1 0 390.209 1.168 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435154 531496675 /nfs/dbraw/zinc/49/66/75/531496675.db2.gz BOKKWVBNZPFUTO-JQWIXIFHSA-N 1 0 376.320 1.841 20 0 GDADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000581543107 531497051 /nfs/dbraw/zinc/49/70/51/531497051.db2.gz JBFAAEVVCRTGAP-CZUORRHYSA-N 1 0 384.318 1.872 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CC2CC(F)(F)C2)c1 ZINC000450908296 531518796 /nfs/dbraw/zinc/51/87/96/531518796.db2.gz HLOJWRSFGVUFKN-UHFFFAOYSA-N 1 0 375.441 1.900 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415577787 531497082 /nfs/dbraw/zinc/49/70/82/531497082.db2.gz ZUFDGYJFTIDSKI-UHFFFAOYSA-N 1 0 380.246 1.428 20 0 GDADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000581543105 531497678 /nfs/dbraw/zinc/49/76/78/531497678.db2.gz JBFAAEVVCRTGAP-BBRMVZONSA-N 1 0 384.318 1.872 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cncc(Br)c1 ZINC000657884199 531497813 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[NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CCO1 ZINC000415597610 531501088 /nfs/dbraw/zinc/50/10/88/531501088.db2.gz JLJXEVJXBITRFE-VIFPVBQESA-N 1 0 376.638 1.227 20 0 GDADRO C[C@H](NC(=O)Cc1cc(Cl)ccc1Br)C(=O)NCC[NH+](C)C ZINC000581616989 531502864 /nfs/dbraw/zinc/50/28/64/531502864.db2.gz FYRQMTBMLCDCEU-JTQLQIEISA-N 1 0 390.709 1.828 20 0 GDADRO [NH3+]CC12CCC(CC1)CN2C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000581614998 531502928 /nfs/dbraw/zinc/50/29/28/531502928.db2.gz YKFPQVBVUSCBAA-UHFFFAOYSA-N 1 0 385.917 1.738 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CCO1 ZINC000415606354 531503035 /nfs/dbraw/zinc/50/30/35/531503035.db2.gz YPNQIKHLWVRAFK-VIFPVBQESA-N 1 0 376.638 1.227 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415605955 531503621 /nfs/dbraw/zinc/50/36/21/531503621.db2.gz DANBWKYPTRAOJK-BXKDBHETSA-N 1 0 384.274 1.819 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2I)C1 ZINC000415642136 531506681 /nfs/dbraw/zinc/50/66/81/531506681.db2.gz 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380.246 1.826 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)ccc1Br ZINC000415752475 531525213 /nfs/dbraw/zinc/52/52/13/531525213.db2.gz XGYJZVQIYFYNAX-UFBFGSQYSA-N 1 0 384.230 1.122 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)Cc2ccccc2Br)CC1 ZINC000557833392 531526074 /nfs/dbraw/zinc/52/60/74/531526074.db2.gz QCYHUBLOBCMNST-UHFFFAOYSA-N 1 0 390.347 1.506 20 0 GDADRO O=C(Nc1cc(C(F)(F)F)ccc1Br)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415766182 531526637 /nfs/dbraw/zinc/52/66/37/531526637.db2.gz WJRKCNIPAFQSJH-VROVMSAKSA-N 1 0 392.175 1.740 20 0 GDADRO O=C(NCc1ccc(Br)cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000550762627 531527962 /nfs/dbraw/zinc/52/79/62/531527962.db2.gz PMWHQAZLKBLLMC-OAHLLOKOSA-N 1 0 380.286 1.762 20 0 GDADRO O=C(NCc1ccc(Br)cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000550762626 531528111 /nfs/dbraw/zinc/52/81/11/531528111.db2.gz PMWHQAZLKBLLMC-HNNXBMFYSA-N 1 0 380.286 1.762 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(I)cc1OC ZINC000415780563 531528297 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GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659100041 531541749 /nfs/dbraw/zinc/54/17/49/531541749.db2.gz IHXDOGXPUBFDOC-UHFFFAOYSA-N 1 0 379.873 1.690 20 0 GDADRO Cc1nccn1CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280801518 531542616 /nfs/dbraw/zinc/54/26/16/531542616.db2.gz UVEVFFPTVYFBKP-JTQLQIEISA-N 1 0 387.303 1.952 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659108975 531542915 /nfs/dbraw/zinc/54/29/15/531542915.db2.gz VOZLZXRLTJIYND-RKDXNWHRSA-N 1 0 385.852 1.638 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415849233 531543514 /nfs/dbraw/zinc/54/35/14/531543514.db2.gz YVPJPRPJNUXBFX-NXEZZACHSA-N 1 0 381.889 1.984 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415858819 531544974 /nfs/dbraw/zinc/54/49/74/531544974.db2.gz FJFMDZMTUZUZNH-NSHDSACASA-N 1 0 376.638 1.146 20 0 GDADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)cc2s1 ZINC000415862331 531545078 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376.548 1.228 20 0 GDADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415871252 531548802 /nfs/dbraw/zinc/54/88/02/531548802.db2.gz PZYKAOBZIXNRRR-QMMMGPOBSA-N 1 0 376.201 1.924 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000415899552 531550439 /nfs/dbraw/zinc/55/04/39/531550439.db2.gz VHTYYOSPNCUHJC-MNOVXSKESA-N 1 0 382.258 1.464 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Br ZINC000415897784 531550602 /nfs/dbraw/zinc/55/06/02/531550602.db2.gz SIQUUXFWWBCKRK-QWRGUYRKSA-N 1 0 382.258 1.464 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659673628 531550844 /nfs/dbraw/zinc/55/08/44/531550844.db2.gz DVUVIEDPJWTOLA-ZLKJLUDKSA-N 1 0 386.265 1.394 20 0 GDADRO COC(=O)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)Oc1ccc(Br)cc1 ZINC000551985102 531551552 /nfs/dbraw/zinc/55/15/52/531551552.db2.gz KNGRVIIJNPQSPO-BXUZGUMPSA-N 1 0 385.258 1.437 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000659676170 531551732 /nfs/dbraw/zinc/55/17/32/531551732.db2.gz FPRHEGWZONPHRP-AAEUAGOBSA-N 1 0 387.311 1.803 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000659683435 531552095 /nfs/dbraw/zinc/55/20/95/531552095.db2.gz YKAUZIJOYSYODQ-MRVPVSSYSA-N 1 0 382.675 1.866 20 0 GDADRO CS(=O)(=O)N1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415973441 531552069 /nfs/dbraw/zinc/55/20/69/531552069.db2.gz QESSPLPOJQBHNW-UHFFFAOYSA-N 1 0 380.392 1.273 20 0 GDADRO CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415972993 531552929 /nfs/dbraw/zinc/55/29/29/531552929.db2.gz PLEGHLGDBUDNOH-NSHDSACASA-N 1 0 380.392 1.320 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000415800949 531534242 /nfs/dbraw/zinc/53/42/42/531534242.db2.gz FOTQCXSEIYDUGF-NSHDSACASA-N 1 0 386.294 1.658 20 0 GDADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)N1CCc2ccc(Br)cc21 ZINC000415802953 531534626 /nfs/dbraw/zinc/53/46/26/531534626.db2.gz IQVBJGVHAJZHRH-CQSZACIVSA-N 1 0 380.286 1.987 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415810724 531535955 /nfs/dbraw/zinc/53/59/55/531535955.db2.gz QRYXPIBWWIRAJK-RQJHMYQMSA-N 1 0 395.628 1.735 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659707002 531555062 /nfs/dbraw/zinc/55/50/62/531555062.db2.gz FKLJZIBUKNHUQU-SNVBAGLBSA-N 1 0 386.290 1.831 20 0 GDADRO O=C(CNC(=O)c1c[nH]c(=O)c(Br)c1)NCC[NH+]1CCCCCC1 ZINC000558353313 531556033 /nfs/dbraw/zinc/55/60/33/531556033.db2.gz XYPARKCKWTYKSP-UHFFFAOYSA-N 1 0 399.289 1.272 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000268694691 531556378 /nfs/dbraw/zinc/55/63/78/531556378.db2.gz SPEOOUHEIBMQER-UHFFFAOYSA-N 1 0 398.301 1.739 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NCCC1(C[NH3+])CC1)C2 ZINC000659727491 531557648 /nfs/dbraw/zinc/55/76/48/531557648.db2.gz JQCNNAAJSFRZRE-UHFFFAOYSA-N 1 0 380.286 1.845 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C)s1 ZINC000280937562 531558256 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Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[NH+]3CC(C)C3)CC2)c(C)s1 ZINC000584538441 531623593 /nfs/dbraw/zinc/62/35/93/531623593.db2.gz QGIYKYGAQMPQDC-AWEZNQCLSA-N 1 0 385.555 1.538 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C[NH3+])ccc1Cl ZINC000269210418 531625560 /nfs/dbraw/zinc/62/55/60/531625560.db2.gz PCOSOZBLWBCHLJ-LBPRGKRZSA-N 1 0 375.878 1.475 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1Cl ZINC000269221811 531626722 /nfs/dbraw/zinc/62/67/22/531626722.db2.gz RPNJQFXNCBVKJI-GWCFXTLKSA-N 1 0 375.878 1.331 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000269223705 531627017 /nfs/dbraw/zinc/62/70/17/531627017.db2.gz BMQZZYFMFWHZDI-GFCCVEGCSA-N 1 0 388.331 1.533 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000269260300 531630498 /nfs/dbraw/zinc/63/04/98/531630498.db2.gz JDCOPLNHVMKXHK-MFKMUULPSA-N 1 0 379.404 1.179 20 0 GDADRO COC(=O)C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000269232925 531627479 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[NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000637821579 531634512 /nfs/dbraw/zinc/63/45/12/531634512.db2.gz CEFGMZVTFXEEAY-DZGCQCFKSA-N 1 0 380.286 1.747 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000560316115 531634821 /nfs/dbraw/zinc/63/48/21/531634821.db2.gz WWRKXMHBDPKIGO-VXGBXAGGSA-N 1 0 384.483 1.166 20 0 GDADRO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000637803579 531634808 /nfs/dbraw/zinc/63/48/08/531634808.db2.gz FUWBCSLIYRQXOD-QJPTWQEYSA-N 1 0 380.388 1.034 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCNC(=O)c2ccc(Br)cn2)C1 ZINC000660847705 531632239 /nfs/dbraw/zinc/63/22/39/531632239.db2.gz RWYUHDIPAHRTEL-GFCCVEGCSA-N 1 0 398.305 1.215 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000269289227 531634952 /nfs/dbraw/zinc/63/49/52/531634952.db2.gz UAJKXWIRJKLPAG-ZDUSSCGKSA-N 1 0 392.319 1.217 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)cc1Cl ZINC000416487843 531643743 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20 0 GDADRO [NH3+]C[C@@]1(C(=O)NC[C@@H](O)COc2ccccc2Br)CCCOC1 ZINC000638028256 531641296 /nfs/dbraw/zinc/64/12/96/531641296.db2.gz DDPMOHKHPIHVHZ-WBMJQRKESA-N 1 0 387.274 1.061 20 0 GDADRO CCN(C(=O)[C@H](C)[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000451618220 531648287 /nfs/dbraw/zinc/64/82/87/531648287.db2.gz VSGRVEBCAQQVNW-LUKYLMHMSA-N 1 0 376.563 1.289 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000416498667 531649245 /nfs/dbraw/zinc/64/92/45/531649245.db2.gz YBTHDTTXADEYSE-VIFPVBQESA-N 1 0 381.267 1.827 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000617015100 531650087 /nfs/dbraw/zinc/65/00/87/531650087.db2.gz UVVRZOZJVHIBOL-UONOGXRCSA-N 1 0 385.555 1.890 20 0 GDADRO [NH3+]Cc1ncc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)cn1 ZINC000638416335 531651246 /nfs/dbraw/zinc/65/12/46/531651246.db2.gz RHCVQGZVAREYAB-CQSZACIVSA-N 1 0 377.242 1.912 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000617114247 531652458 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CCN(CC[NH3+])C(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000638520001 531657704 /nfs/dbraw/zinc/65/77/04/531657704.db2.gz SGJIWOFQWXCCAK-HNNXBMFYSA-N 1 0 397.317 1.930 20 0 GDADRO CCN(CC[NH3+])C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000638517826 531657820 /nfs/dbraw/zinc/65/78/20/531657820.db2.gz DRCKMEORDOHRTI-LLVKDONJSA-N 1 0 377.304 1.666 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCCCN2CCO)cc1OC ZINC000451663216 531660130 /nfs/dbraw/zinc/66/01/30/531660130.db2.gz ALSMAGOBLMXTAH-LBPRGKRZSA-N 1 0 392.905 1.482 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CCCCN1CCO ZINC000451664893 531660204 /nfs/dbraw/zinc/66/02/04/531660204.db2.gz CNTAMZJGGMLMAR-ZDUSSCGKSA-N 1 0 391.331 1.883 20 0 GDADRO C[C@H](CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)n1cc(Br)cn1 ZINC000617502661 531660471 /nfs/dbraw/zinc/66/04/71/531660471.db2.gz XYHHTBFMCLWEGI-UONOGXRCSA-N 1 0 388.354 1.985 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC1(C[NH3+])CCOCC1 ZINC000638636682 531662081 /nfs/dbraw/zinc/66/20/81/531662081.db2.gz FGULACIYOQVJKE-VIFPVBQESA-N 1 0 390.303 1.253 20 0 GDADRO COCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000588933927 531662161 /nfs/dbraw/zinc/66/21/61/531662161.db2.gz ZGDHHJJWIPJWOY-ZDUSSCGKSA-N 1 0 398.301 1.496 20 0 GDADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NC[C@@H]1COCC[NH2+]1 ZINC000638619959 531662896 /nfs/dbraw/zinc/66/28/96/531662896.db2.gz JMAYJZNSDULHAB-CYBMUJFWSA-N 1 0 385.262 1.065 20 0 GDADRO CCN(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617560331 531663527 /nfs/dbraw/zinc/66/35/27/531663527.db2.gz MOJJSXLZZRCKCL-GFCCVEGCSA-N 1 0 375.441 1.186 20 0 GDADRO CN(CCOCC[NH3+])C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000638677616 531664210 /nfs/dbraw/zinc/66/42/10/531664210.db2.gz CKFFEAOFKZTWDH-GFCCVEGCSA-N 1 0 384.274 1.236 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(Br)c1F ZINC000281815249 531665850 /nfs/dbraw/zinc/66/58/50/531665850.db2.gz IQODQRGMXDWQMD-NSHDSACASA-N 1 0 394.310 1.502 20 0 GDADRO COc1ccc(Br)c([C@H](CO)N(C)CCCC(=O)NC(N)=O)c1 ZINC000296198205 531667384 /nfs/dbraw/zinc/66/73/84/531667384.db2.gz LZSNAXFGRRBCFO-ZDUSSCGKSA-N 1 0 388.262 1.398 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1OC ZINC000503234039 531689452 /nfs/dbraw/zinc/68/94/52/531689452.db2.gz HGCNKSZKOBQWRG-UKRRQHHQSA-N 1 0 388.511 1.148 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000638939721 531675720 /nfs/dbraw/zinc/67/57/20/531675720.db2.gz SOWZWHFAQYHAGW-ONGXEEELSA-N 1 0 390.303 1.261 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)c1cnnn1C1CC[NH2+]CC1 ZINC000662400152 531676535 /nfs/dbraw/zinc/67/65/35/531676535.db2.gz KRZMXAUZZJQUNB-UHFFFAOYSA-N 1 0 394.273 1.774 20 0 GDADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000561033762 531676547 /nfs/dbraw/zinc/67/65/47/531676547.db2.gz WYPNQZVGVXNHLP-DGQGSHBHSA-N 1 0 379.262 2.129 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000662430274 531677170 /nfs/dbraw/zinc/67/71/70/531677170.db2.gz PCKBFPNUEHQEIC-UHFFFAOYSA-N 1 0 393.289 1.887 20 0 GDADRO Cc1cc(Br)cc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c1C ZINC000662425430 531678413 /nfs/dbraw/zinc/67/84/13/531678413.db2.gz BCIPMSXMKYHNKJ-UHFFFAOYSA-N 1 0 379.262 1.846 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1cc(F)ccc1Br ZINC000618306975 531682670 /nfs/dbraw/zinc/68/26/70/531682670.db2.gz QPJSJSNNDMFOTD-UHFFFAOYSA-N 1 0 388.281 1.609 20 0 GDADRO CCn1c2cc(Br)ccc2nc1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662509714 531683121 /nfs/dbraw/zinc/68/31/21/531683121.db2.gz HZPKHYLZBCHRKO-UHFFFAOYSA-N 1 0 378.234 1.621 20 0 GDADRO CN(CCC[N@H+](C)Cc1cnn2cc(Br)cnc12)CC[NH+](C)C ZINC000639185470 531685132 /nfs/dbraw/zinc/68/51/32/531685132.db2.gz BEITWQNWZRJYCB-UHFFFAOYSA-N 1 0 383.338 1.807 20 0 GDADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000662563233 531689332 /nfs/dbraw/zinc/68/93/32/531689332.db2.gz COGNRTBKUXTXQD-JKSUJKDBSA-N 1 0 397.313 1.977 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662551181 531687474 /nfs/dbraw/zinc/68/74/74/531687474.db2.gz AKIBKXCNCXSXOO-TZMCWYRMSA-N 1 0 384.274 1.566 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnn2cccc(Cl)c12 ZINC000662561945 531688003 /nfs/dbraw/zinc/68/80/03/531688003.db2.gz UCPCGMLPSOUFBN-LBPRGKRZSA-N 1 0 375.782 1.554 20 0 GDADRO COCCOC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCOCC1 ZINC000639219797 531688056 /nfs/dbraw/zinc/68/80/56/531688056.db2.gz PYVQJBJEUSAMQG-UHFFFAOYSA-N 1 0 392.905 1.289 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662551175 531688252 /nfs/dbraw/zinc/68/82/52/531688252.db2.gz AKIBKXCNCXSXOO-GXTWGEPZSA-N 1 0 384.274 1.566 20 0 GDADRO CCS(=O)(=O)c1ccc(CC(=O)NCC2(SC)CC[NH+](C)CC2)cc1 ZINC000589477199 531671750 /nfs/dbraw/zinc/67/17/50/531671750.db2.gz BYAJHPPSOSCXKS-UHFFFAOYSA-N 1 0 384.567 1.966 20 0 GDADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662718716 531694004 /nfs/dbraw/zinc/69/40/04/531694004.db2.gz RWCNJOPCHNMUSS-HNNXBMFYSA-N 1 0 382.302 1.379 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000503536992 531695383 /nfs/dbraw/zinc/69/53/83/531695383.db2.gz LVZCEVZZHVUUAY-FZMZJTMJSA-N 1 0 383.290 1.804 20 0 GDADRO COC[C@]1(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCC[NH2+]1 ZINC000662777829 531695913 /nfs/dbraw/zinc/69/59/13/531695913.db2.gz DJRHRQBKIHGAOQ-HLLBOEOZSA-N 1 0 398.301 1.807 20 0 GDADRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662798163 531696767 /nfs/dbraw/zinc/69/67/67/531696767.db2.gz BVVQPQZHEKMYDG-DOMZBBRYSA-N 1 0 378.416 1.897 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000662924812 531700429 /nfs/dbraw/zinc/70/04/29/531700429.db2.gz IKZJRGVKPKJHOI-CQSZACIVSA-N 1 0 396.285 1.925 20 0 GDADRO NC(=O)[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1Cl ZINC000662585671 531689730 /nfs/dbraw/zinc/68/97/30/531689730.db2.gz ALQXWKMZOQYXBZ-ABAIWWIYSA-N 1 0 377.794 1.642 20 0 GDADRO COc1ccc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)nc1Br ZINC000365871056 531692200 /nfs/dbraw/zinc/69/22/00/531692200.db2.gz ISOKYHDBIUJDQH-UHFFFAOYSA-N 1 0 394.273 2.568 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CCSC1 ZINC000269570073 531693081 /nfs/dbraw/zinc/69/30/81/531693081.db2.gz XTGDOFDBSRZRDB-QGZVFWFLSA-N 1 0 385.555 1.833 20 0 GDADRO N[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1Br ZINC000662717346 531693575 /nfs/dbraw/zinc/69/35/75/531693575.db2.gz OAGDGJLJMFDJQK-PMPSAXMXSA-N 1 0 382.302 1.507 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000662941004 531701267 /nfs/dbraw/zinc/70/12/67/531701267.db2.gz ROOMWSSXDPKPBN-HNNXBMFYSA-N 1 0 397.317 1.659 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc(I)c3)C[C@@H]21 ZINC000451876646 531701388 /nfs/dbraw/zinc/70/13/88/531701388.db2.gz GBHUPTXMBJFWQS-MFKMUULPSA-N 1 0 392.262 1.616 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451869959 531701643 /nfs/dbraw/zinc/70/16/43/531701643.db2.gz OPMZWCFBXGRHRG-CMPLNLGQSA-N 1 0 375.288 1.782 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000662946557 531701953 /nfs/dbraw/zinc/70/19/53/531701953.db2.gz WTYOFJUBVABDQE-WKXXDYOBSA-N 1 0 393.285 1.457 20 0 GDADRO O=C(CC[NH+]1CCN(Cc2nnc[nH]2)CC1)Nc1cccc(Br)c1 ZINC000639721043 531702533 /nfs/dbraw/zinc/70/25/33/531702533.db2.gz JKHBPSFMNOEPJT-UHFFFAOYSA-N 1 0 393.289 1.714 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000662968321 531704620 /nfs/dbraw/zinc/70/46/20/531704620.db2.gz USCYBELGTKATTA-MRVPVSSYSA-N 1 0 387.811 1.361 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000296612026 531707953 /nfs/dbraw/zinc/70/79/53/531707953.db2.gz WKIRXCFNPLDIKV-JQWIXIFHSA-N 1 0 384.470 1.661 20 0 GDADRO C[N@H+](CCN1C(=O)CNC1=O)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639919048 531708163 /nfs/dbraw/zinc/70/81/63/531708163.db2.gz OQKFZPKZIOGJRZ-LBPRGKRZSA-N 1 0 376.240 1.217 20 0 GDADRO C[C@]12C[N@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC000639948483 531709853 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O=C([C@@H]1CCCN1[C@H]1CCCN(CC(F)(F)F)C1=O)N1CCSCC1 ZINC000562501769 531758216 /nfs/dbraw/zinc/75/82/16/531758216.db2.gz AJPARVKBWPSVKO-STQMWFEESA-N 1 0 379.448 1.580 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)C(F)F ZINC000417209242 531758350 /nfs/dbraw/zinc/75/83/50/531758350.db2.gz PORJZOBTTUALAC-LLVKDONJSA-N 1 0 393.232 1.461 20 0 GDADRO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000366560185 531758481 /nfs/dbraw/zinc/75/84/81/531758481.db2.gz LANWZZVZFKBTBI-HNNXBMFYSA-N 1 0 383.539 1.669 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417209689 531758666 /nfs/dbraw/zinc/75/86/66/531758666.db2.gz PYIGEIDNEVDYSU-CYBMUJFWSA-N 1 0 397.317 1.949 20 0 GDADRO O=C(NCc1cn2cc(Br)ccc2n1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417214072 531759889 /nfs/dbraw/zinc/75/98/89/531759889.db2.gz GQOPNRHJUKDASW-NWDGAFQWSA-N 1 0 378.274 1.848 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000562524457 531761612 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O=C(CCn1cc(Br)cn1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000622420691 531780621 /nfs/dbraw/zinc/78/06/21/531780621.db2.gz CNHYEWSVOVTSGK-UHFFFAOYSA-N 1 0 399.333 1.997 20 0 GDADRO CN(CCC[NH3+])Cc1cn(Cc2nc3cc(Br)ccc3[nH]2)nn1 ZINC000641161888 531780670 /nfs/dbraw/zinc/78/06/70/531780670.db2.gz GYMLRFNRZFLZFH-UHFFFAOYSA-N 1 0 378.278 1.746 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CCO1 ZINC000667399541 531780668 /nfs/dbraw/zinc/78/06/68/531780668.db2.gz HNRMMYWGRFSXDX-RDDDGLTNSA-N 1 0 392.200 1.240 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC1CC[NH2+]CC1)c1ccccc1Br ZINC000562821702 531781769 /nfs/dbraw/zinc/78/17/69/531781769.db2.gz BSBNVBPPKATTPY-UHFFFAOYSA-N 1 0 396.329 1.959 20 0 GDADRO CN(CCC[NH3+])C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000562804754 531781803 /nfs/dbraw/zinc/78/18/03/531781803.db2.gz UYAPWNBVBAIPCH-UHFFFAOYSA-N 1 0 388.559 1.455 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C[C@H](C)[N@H+]1C ZINC000452150963 531768124 /nfs/dbraw/zinc/76/81/24/531768124.db2.gz JUGJIUQEZLRNGX-PHIMTYICSA-N 1 0 394.324 1.823 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000417433346 531769692 /nfs/dbraw/zinc/76/96/92/531769692.db2.gz VGRIHXBIQMAYHK-OAHLLOKOSA-N 1 0 383.334 1.930 20 0 GDADRO [NH3+][C@@H](CO)Cc1cn(CCOc2ccc(Cl)cc2Br)nn1 ZINC000640860230 531769695 /nfs/dbraw/zinc/76/96/95/531769695.db2.gz YNGZLVXMHWLKPY-SNVBAGLBSA-N 1 0 375.654 1.635 20 0 GDADRO [NH3+][C@H](CO)Cc1cn(CCOc2ccc(Cl)cc2Br)nn1 ZINC000640860228 531770002 /nfs/dbraw/zinc/77/00/02/531770002.db2.gz YNGZLVXMHWLKPY-JTQLQIEISA-N 1 0 375.654 1.635 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000417586409 531783090 /nfs/dbraw/zinc/78/30/90/531783090.db2.gz QXEXSAGHCZPZDM-WFASDCNBSA-N 1 0 397.317 1.929 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417439767 531770989 /nfs/dbraw/zinc/77/09/89/531770989.db2.gz WQFUYSRLEWZOPG-SWLSCSKDSA-N 1 0 397.317 1.866 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000366702507 531771239 /nfs/dbraw/zinc/77/12/39/531771239.db2.gz NUBNROWLNDKYRS-ZDUSSCGKSA-N 1 0 385.917 1.935 20 0 GDADRO O=C(NCCc1ccc(I)s1)NC1CC[NH2+]CC1 ZINC000417437783 531771588 /nfs/dbraw/zinc/77/15/88/531771588.db2.gz HYGXYIVIHNNTLU-UHFFFAOYSA-N 1 0 379.267 1.946 20 0 GDADRO C[C@@H]1[NH2+]CCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)[C@H]1C ZINC000417436640 531771703 /nfs/dbraw/zinc/77/17/03/531771703.db2.gz PBXVVTCUSLYIGF-STQMWFEESA-N 1 0 397.317 1.961 20 0 GDADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000592199198 531771967 /nfs/dbraw/zinc/77/19/67/531771967.db2.gz SOTXBJFDVCZIGJ-BXUZGUMPSA-N 1 0 385.258 1.634 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000622122641 531772374 /nfs/dbraw/zinc/77/23/74/531772374.db2.gz RANWOBLWNVQSHW-SNVBAGLBSA-N 1 0 398.257 1.370 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000562706451 531773354 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20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000562795918 531779808 /nfs/dbraw/zinc/77/98/08/531779808.db2.gz DOYOEWCVHDCQQT-LBPRGKRZSA-N 1 0 383.290 1.111 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418086709 531800849 /nfs/dbraw/zinc/80/08/49/531800849.db2.gz DLXSVIZMZBNKMA-RISCZKNCSA-N 1 0 383.290 1.852 20 0 GDADRO [NH3+][C@@H](CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000418087699 531801092 /nfs/dbraw/zinc/80/10/92/531801092.db2.gz HYERBPVDPOGDFO-UONOGXRCSA-N 1 0 381.274 1.591 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418088097 531801108 /nfs/dbraw/zinc/80/11/08/531801108.db2.gz JHVUGGWNGIBXSX-ZIAGYGMSSA-N 1 0 383.290 1.837 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@H](C)[NH3+])cc(Br)c1C ZINC000592384920 531783717 /nfs/dbraw/zinc/78/37/17/531783717.db2.gz IGFMVSWLCYKXJP-QMMMGPOBSA-N 1 0 379.276 1.560 20 0 GDADRO COC[C@H]([NH3+])Cc1cn([C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164928 531784064 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CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000592469006 531790758 /nfs/dbraw/zinc/79/07/58/531790758.db2.gz RQHHZEDPPIYOTC-TZMCWYRMSA-N 1 0 389.518 1.033 20 0 GDADRO O=C(COC1CC[NH2+]CC1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000562957005 531790994 /nfs/dbraw/zinc/79/09/94/531790994.db2.gz INGUGYGAMMHXNC-UHFFFAOYSA-N 1 0 394.273 1.796 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(F)F ZINC000417951047 531792084 /nfs/dbraw/zinc/79/20/84/531792084.db2.gz MSFJIUHXIXMHMV-VXGBXAGGSA-N 1 0 378.782 1.866 20 0 GDADRO C[C@@H](C(=O)N1CCCC[C@@H]1C[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000562977286 531793039 /nfs/dbraw/zinc/79/30/39/531793039.db2.gz VBJAETXNFRRDGN-CMPLNLGQSA-N 1 0 394.269 1.773 20 0 GDADRO COC(=O)c1ccc(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(Br)c1 ZINC000592523929 531793380 /nfs/dbraw/zinc/79/33/80/531793380.db2.gz UGZJROSVVKVJOS-GFCCVEGCSA-N 1 0 398.301 1.788 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(F)F ZINC000417951043 531793885 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C[NH2+]C[C@@H](C)CNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418147763 531805073 /nfs/dbraw/zinc/80/50/73/531805073.db2.gz MPXDCQNSLMOPJY-GFCCVEGCSA-N 1 0 376.910 1.163 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000418146637 531805130 /nfs/dbraw/zinc/80/51/30/531805130.db2.gz PNYNXHKJNYZVSC-HNNXBMFYSA-N 1 0 397.317 1.647 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000418138528 531805572 /nfs/dbraw/zinc/80/55/72/531805572.db2.gz FSFPAPBMRKPTEE-INIZCTEOSA-N 1 0 388.921 1.389 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000418154826 531806861 /nfs/dbraw/zinc/80/68/61/531806861.db2.gz YHAWFVHFFFWRFD-QWHCGFSZSA-N 1 0 388.921 1.387 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N[C@H]1CCOc2c(Br)cccc21 ZINC000418157278 531807065 /nfs/dbraw/zinc/80/70/65/531807065.db2.gz MSIHEGVBASWZIA-AWEZNQCLSA-N 1 0 383.290 1.477 20 0 GDADRO [NH3+]C1(CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)CCC1 ZINC000563086296 531807284 /nfs/dbraw/zinc/80/72/84/531807284.db2.gz AQJDYIUUHBBAKL-UHFFFAOYSA-N 1 0 379.258 1.547 20 0 GDADRO CN(C)c1nccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000563086081 531807777 /nfs/dbraw/zinc/80/77/77/531807777.db2.gz ACNIGXUTGHVNRB-MRXNPFEDSA-N 1 0 378.274 1.795 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000269937189 531807922 /nfs/dbraw/zinc/80/79/22/531807922.db2.gz SQPLFTCAXYIJQQ-CQSZACIVSA-N 1 0 379.404 1.666 20 0 GDADRO CC(C)([NH3+])CNC(=O)NCCOc1ccc(I)cc1 ZINC000418158384 531809165 /nfs/dbraw/zinc/80/91/65/531809165.db2.gz PRAKMMFEBJPQEX-UHFFFAOYSA-N 1 0 377.226 1.707 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418163563 531811485 /nfs/dbraw/zinc/81/14/85/531811485.db2.gz VYGOJTUWIMDUIH-SNVBAGLBSA-N 1 0 380.873 1.184 20 0 GDADRO COCC(COC)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453366050 531813267 /nfs/dbraw/zinc/81/32/67/531813267.db2.gz WWAHIDKUFKNIDS-SECBINFHSA-N 1 0 381.292 1.409 20 0 GDADRO C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)Oc1ccc(Br)cc1 ZINC000669506252 531814078 /nfs/dbraw/zinc/81/40/78/531814078.db2.gz BALCYIGCMOCLBC-IUODEOHRSA-N 1 0 386.290 1.894 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000563158541 531814722 /nfs/dbraw/zinc/81/47/22/531814722.db2.gz DFHKOPKCESKFCC-UWVGGRQHSA-N 1 0 380.297 1.467 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453394087 531815115 /nfs/dbraw/zinc/81/51/15/531815115.db2.gz VSVLTBPHJAYJBV-SUZMYJTESA-N 1 0 377.304 1.908 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000297728338 531815797 /nfs/dbraw/zinc/81/57/97/531815797.db2.gz GQVZBEIBISVXGP-INIZCTEOSA-N 1 0 384.274 1.555 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)NC[C@H]1CCCC[NH2+]1 ZINC000669579952 531816063 /nfs/dbraw/zinc/81/60/63/531816063.db2.gz PFZQQDKVTYYRDY-GFCCVEGCSA-N 1 0 392.884 1.199 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669585454 531816516 /nfs/dbraw/zinc/81/65/16/531816516.db2.gz OHDCJQJSMYZSHM-CQSZACIVSA-N 1 0 388.921 1.368 20 0 GDADRO O=C(CCNC(=O)NC[C@@H]1C[NH2+]CCCO1)Nc1cc(Cl)cc(Cl)c1 ZINC000418221987 531816539 /nfs/dbraw/zinc/81/65/39/531816539.db2.gz VHHMKFODSNGVMF-AWEZNQCLSA-N 1 0 389.283 2.000 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000563168964 531816885 /nfs/dbraw/zinc/81/68/85/531816885.db2.gz CNEMPURTJYZFNQ-WDEREUQCSA-N 1 0 392.319 1.312 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCc1ccc(Br)cc1Cl ZINC000418234309 531817873 /nfs/dbraw/zinc/81/78/73/531817873.db2.gz PYXKODDWGWLYTA-CYBMUJFWSA-N 1 0 389.725 1.848 20 0 GDADRO CS(=O)(=O)NC1CC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000669832185 531821975 /nfs/dbraw/zinc/82/19/75/531821975.db2.gz INRUHQRTFGSSTK-UHFFFAOYSA-N 1 0 391.287 1.390 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)N[C@@H]2CC[NH2+]C2)cc1Br ZINC000418358122 531822801 /nfs/dbraw/zinc/82/28/01/531822801.db2.gz DLURXKZAFNZHQM-CHWSQXEVSA-N 1 0 386.290 1.270 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453664069 531822913 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C[C@@H](C[NH3+])CNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000418483512 531826835 /nfs/dbraw/zinc/82/68/35/531826835.db2.gz FWKZFFLXPIZJDQ-LBPRGKRZSA-N 1 0 383.290 1.511 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)NC[C@@H](CO)Cc1ccccc1Br ZINC000418538801 531830004 /nfs/dbraw/zinc/83/00/04/531830004.db2.gz LOBAUAYOHLIIOZ-AWEZNQCLSA-N 1 0 382.302 1.819 20 0 GDADRO COCC[NH2+]CCNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000418505740 531828565 /nfs/dbraw/zinc/82/85/65/531828565.db2.gz GEWSVDMMUAZJSW-UHFFFAOYSA-N 1 0 385.306 1.517 20 0 GDADRO CC(=O)NCC[N@H+](Cc1cnc(N2CCOCC2)s1)C1CCSCC1 ZINC000670273262 531828637 /nfs/dbraw/zinc/82/86/37/531828637.db2.gz ZZYAGQAPBDYJNJ-UHFFFAOYSA-N 1 0 384.571 1.813 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)N[C@@H](C)CC[NH3+] ZINC000418522028 531829348 /nfs/dbraw/zinc/82/93/48/531829348.db2.gz IXTPPVDSEOOMIS-RYUDHWBXSA-N 1 0 388.306 1.645 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NCCNc1cccc(Br)c1 ZINC000418305040 531819778 /nfs/dbraw/zinc/81/97/78/531819778.db2.gz 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[NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(F)cc3Br)C[C@@H]21 ZINC000418824534 531847544 /nfs/dbraw/zinc/84/75/44/531847544.db2.gz SSYYDXBUNJXJHF-OSAQELSMSA-N 1 0 398.276 1.790 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000418827837 531847719 /nfs/dbraw/zinc/84/77/19/531847719.db2.gz HHIYZELJURNEMK-BYCMXARLSA-N 1 0 380.286 1.489 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@H]12 ZINC000418824876 531848148 /nfs/dbraw/zinc/84/81/48/531848148.db2.gz DIRKFLHQZGXDSQ-AFHWFKKNSA-N 1 0 392.297 1.617 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[NH2+]C)c(Br)c1 ZINC000595122438 531866189 /nfs/dbraw/zinc/86/61/89/531866189.db2.gz RTWKAQMGYFHKKB-VIFPVBQESA-N 1 0 379.276 1.512 20 0 GDADRO O=C(Nc1cc2ccc(Br)cn2n1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000455237953 531867345 /nfs/dbraw/zinc/86/73/45/531867345.db2.gz AIIPMAUGONRQKB-CYBMUJFWSA-N 1 0 396.289 2.065 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)Sc1ccc(Br)cc1 ZINC000418939851 531867627 /nfs/dbraw/zinc/86/76/27/531867627.db2.gz RYNUZWZHYMGROR-NSHDSACASA-N 1 0 386.315 1.478 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418852963 531855946 /nfs/dbraw/zinc/85/59/46/531855946.db2.gz WMSUIGUYCUQMQZ-GFCCVEGCSA-N 1 0 388.281 1.881 20 0 GDADRO C[C@H](O)CNc1cc(NCCNS(=O)(=O)c2cccc(Cl)c2)ncn1 ZINC000298143046 531856075 /nfs/dbraw/zinc/85/60/75/531856075.db2.gz CZBJKIXKYIBTEK-NSHDSACASA-N 1 0 385.877 1.313 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270288777 531856365 /nfs/dbraw/zinc/85/63/65/531856365.db2.gz WMKGNJGQUSZTRV-DZGCQCFKSA-N 1 0 385.555 1.605 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)s1 ZINC000298138923 531856466 /nfs/dbraw/zinc/85/64/66/531856466.db2.gz AJAIWFFNDIKRFF-CYBMUJFWSA-N 1 0 389.543 1.188 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418861373 531857191 /nfs/dbraw/zinc/85/71/91/531857191.db2.gz FBGMIOYMAZAVND-AAEUAGOBSA-N 1 0 387.311 1.884 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418864384 531857874 /nfs/dbraw/zinc/85/78/74/531857874.db2.gz JFQRLJSWZJWJPW-ZDUSSCGKSA-N 1 0 385.295 1.414 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000642324938 531857928 /nfs/dbraw/zinc/85/79/28/531857928.db2.gz BZMOIMYOCVRSSZ-UHFFFAOYSA-N 1 0 387.933 1.258 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(Br)cn1 ZINC000418872656 531859066 /nfs/dbraw/zinc/85/90/66/531859066.db2.gz WKBRUBAFYBXUGE-IINYFYTJSA-N 1 0 383.290 1.655 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000418868606 531859120 /nfs/dbraw/zinc/85/91/20/531859120.db2.gz QXKIOKUSDIEOIK-TZMCWYRMSA-N 1 0 397.317 1.244 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000418870129 531859327 /nfs/dbraw/zinc/85/93/27/531859327.db2.gz RKPGEIUMUYRARU-WOPDTQHZSA-N 1 0 383.290 1.607 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418884936 531860059 /nfs/dbraw/zinc/86/00/59/531860059.db2.gz ODWJWUMFRCGYTG-CYBMUJFWSA-N 1 0 398.232 1.174 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000418913834 531861702 /nfs/dbraw/zinc/86/17/02/531861702.db2.gz OHEJUCSYSBPSIW-SMDDNHRTSA-N 1 0 385.917 1.778 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418915117 531862051 /nfs/dbraw/zinc/86/20/51/531862051.db2.gz CCWZVWCGPIVAQJ-GFCCVEGCSA-N 1 0 382.302 1.841 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418918800 531863083 /nfs/dbraw/zinc/86/30/83/531863083.db2.gz DECDJCBWHJWDPC-QGZVFWFLSA-N 1 0 398.276 1.459 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418918870 531863192 /nfs/dbraw/zinc/86/31/92/531863192.db2.gz DRTOYYMLAWWDAZ-CYBMUJFWSA-N 1 0 388.281 1.881 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418919801 531863927 /nfs/dbraw/zinc/86/39/27/531863927.db2.gz AUIFCCKMKVKMCX-HUUCEWRRSA-N 1 0 380.286 1.966 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418927474 531864482 /nfs/dbraw/zinc/86/44/82/531864482.db2.gz XBMFVRIIEDJFAX-CHWSQXEVSA-N 1 0 398.276 1.315 20 0 GDADRO CSC1(CNC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)CC[NH+](C)CC1 ZINC000563846880 531865007 /nfs/dbraw/zinc/86/50/07/531865007.db2.gz VSOJOOYKEIBTQK-GJZGRUSLSA-N 1 0 389.587 1.565 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418947501 531870442 /nfs/dbraw/zinc/87/04/42/531870442.db2.gz SGPGPYFWQKUUPQ-NHYWBVRUSA-N 1 0 380.286 1.668 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccccc1I ZINC000595241571 531871708 /nfs/dbraw/zinc/87/17/08/531871708.db2.gz BDTMYNSVWNUWFP-LLVKDONJSA-N 1 0 389.237 1.719 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCCOc2cccc(Br)c2)[C@@H]1C[NH3+] ZINC000418954740 531871882 /nfs/dbraw/zinc/87/18/82/531871882.db2.gz TWUVUPIKUUMIGB-IUODEOHRSA-N 1 0 398.301 1.530 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418961165 531871971 /nfs/dbraw/zinc/87/19/71/531871971.db2.gz AZXXCGRRUYUQFB-JOYOIKCWSA-N 1 0 394.273 1.056 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418951463 531872016 /nfs/dbraw/zinc/87/20/16/531872016.db2.gz QAIKEWCEPZIALB-ZDUSSCGKSA-N 1 0 384.274 1.155 20 0 GDADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000564967550 531872684 /nfs/dbraw/zinc/87/26/84/531872684.db2.gz ZPDZEODAHGSENW-LBPRGKRZSA-N 1 0 382.816 1.711 20 0 GDADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)C(=O)N1CCC[NH2+]CC1 ZINC000418962942 531873828 /nfs/dbraw/zinc/87/38/28/531873828.db2.gz HUWVYETULLAYKU-UHFFFAOYSA-N 1 0 383.279 1.955 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)CC2)C1 ZINC000367893683 531874234 /nfs/dbraw/zinc/87/42/34/531874234.db2.gz MWPWLGJEUOFWJV-GFCCVEGCSA-N 1 0 393.340 1.789 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@@H](C)[NH2+]1 ZINC000418974214 531874235 /nfs/dbraw/zinc/87/42/35/531874235.db2.gz PEEKYWVRYILZDU-NXEZZACHSA-N 1 0 394.273 1.150 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)C[C@]2(OC(C)C)CCOC2)C[C@@H]1[NH+]1CCCC1 ZINC000595335484 531874406 /nfs/dbraw/zinc/87/44/06/531874406.db2.gz YIARLEBKVDFLGR-BBWFWOEESA-N 1 0 392.587 1.412 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)CCc2c(F)cccc2F)CC1 ZINC000625042324 531875598 /nfs/dbraw/zinc/87/55/98/531875598.db2.gz HKTGWQMVZLJLMK-UHFFFAOYSA-N 1 0 375.485 1.453 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000418977770 531875716 /nfs/dbraw/zinc/87/57/16/531875716.db2.gz WIVLJNBTPLUGES-UHFFFAOYSA-N 1 0 395.628 1.026 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000418991765 531877611 /nfs/dbraw/zinc/87/76/11/531877611.db2.gz NBQRQFKXVIFFLD-GXTWGEPZSA-N 1 0 382.302 1.551 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1Br ZINC000419001959 531877699 /nfs/dbraw/zinc/87/76/99/531877699.db2.gz BLJKWRDCJMAVTR-GHMZBOCLSA-N 1 0 384.274 1.455 20 0 GDADRO O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)C(=O)NCC1C[NH2+]C1 ZINC000419031609 531884437 /nfs/dbraw/zinc/88/44/37/531884437.db2.gz AGWWWBJQURUMIX-UHFFFAOYSA-N 1 0 378.885 1.458 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000419015725 531880199 /nfs/dbraw/zinc/88/01/99/531880199.db2.gz CHNYAAKSUXTPOF-AWEZNQCLSA-N 1 0 396.285 1.586 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419019019 531881832 /nfs/dbraw/zinc/88/18/32/531881832.db2.gz IRWLKEQKZHNLJI-TZMCWYRMSA-N 1 0 382.302 1.694 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419023227 531882039 /nfs/dbraw/zinc/88/20/39/531882039.db2.gz OIGAEONCYXBZHT-CHWSQXEVSA-N 1 0 384.274 1.488 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000566238944 531882616 /nfs/dbraw/zinc/88/26/16/531882616.db2.gz WBXMUBHJBRGVGT-SNVBAGLBSA-N 1 0 380.297 1.612 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000566237898 531882892 /nfs/dbraw/zinc/88/28/92/531882892.db2.gz WBIKOCJSIRSKDS-MNOVXSKESA-N 1 0 399.289 1.054 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419025075 531883407 /nfs/dbraw/zinc/88/34/07/531883407.db2.gz RUHYHEPTLKFKPE-COPLHBTASA-N 1 0 396.285 1.585 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000419024457 531883452 /nfs/dbraw/zinc/88/34/52/531883452.db2.gz QHEDGQIAPCPEKV-SWLSCSKDSA-N 1 0 384.318 1.986 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419050573 531891319 /nfs/dbraw/zinc/89/13/19/531891319.db2.gz DQJCDARGOXUEPL-PWSUYJOCSA-N 1 0 386.265 1.443 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419049911 531891682 /nfs/dbraw/zinc/89/16/82/531891682.db2.gz BUTFRXCWHDOTFH-NOZJJQNGSA-N 1 0 388.693 1.833 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)NCc2cccc(Br)c2Cl)CC1 ZINC000419052780 531892320 /nfs/dbraw/zinc/89/23/20/531892320.db2.gz IISDSLACEWPEIA-UHFFFAOYSA-N 1 0 388.693 1.929 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419052885 531892501 /nfs/dbraw/zinc/89/25/01/531892501.db2.gz IGUMESSYIYQHQZ-CQSZACIVSA-N 1 0 384.318 1.954 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000419052557 531892627 /nfs/dbraw/zinc/89/26/27/531892627.db2.gz HOEPZATUKMZFKB-NOZJJQNGSA-N 1 0 387.267 1.068 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)[C@@H]1SC ZINC000298478652 531893190 /nfs/dbraw/zinc/89/31/90/531893190.db2.gz PJDSGIUCUZIEEU-UXLLHSPISA-N 1 0 388.555 1.298 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccccc2Br)C1 ZINC000419053632 531893690 /nfs/dbraw/zinc/89/36/90/531893690.db2.gz KHYHXTABUOCILJ-KGLIPLIRSA-N 1 0 396.329 1.954 20 0 GDADRO O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419098780 531899693 /nfs/dbraw/zinc/89/96/93/531899693.db2.gz HJECWOPLVKLOAI-TXEJJXNPSA-N 1 0 378.885 1.919 20 0 GDADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)[NH+](C)C ZINC000674243548 531894541 /nfs/dbraw/zinc/89/45/41/531894541.db2.gz MBRYMKSCMULPDD-NSHDSACASA-N 1 0 394.324 1.776 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000368120833 531895040 /nfs/dbraw/zinc/89/50/40/531895040.db2.gz FPQCEJALFYPPCL-ZDUSSCGKSA-N 1 0 390.502 1.239 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419056727 531895299 /nfs/dbraw/zinc/89/52/99/531895299.db2.gz RVGGQSQZJVDNQC-ZNMIVQPWSA-N 1 0 394.313 1.564 20 0 GDADRO [NH3+]C1CCC(NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000647727281 531895967 /nfs/dbraw/zinc/89/59/67/531895967.db2.gz YASUESOIVJIHGU-UHFFFAOYSA-N 1 0 380.297 1.658 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)c1sc2c(c1I)CNC2 ZINC000595950451 531896082 /nfs/dbraw/zinc/89/60/82/531896082.db2.gz LSDRWGQDAYKTCD-MRVPVSSYSA-N 1 0 391.278 1.828 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)c2sc3c(c2I)CNC3)C1 ZINC000595950896 531896114 /nfs/dbraw/zinc/89/61/14/531896114.db2.gz NRWPDJRVIFIDII-ZDUSSCGKSA-N 1 0 391.278 1.767 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000567569908 531896905 /nfs/dbraw/zinc/89/69/05/531896905.db2.gz NLVXQKHTABEBDG-LBPRGKRZSA-N 1 0 398.305 1.883 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000298525400 531898635 /nfs/dbraw/zinc/89/86/35/531898635.db2.gz XRBRWZZVNFFOQS-CQSZACIVSA-N 1 0 389.543 1.090 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000368004202 531884710 /nfs/dbraw/zinc/88/47/10/531884710.db2.gz BQRDOFLDVRKYKQ-UONOGXRCSA-N 1 0 385.258 1.630 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCc2ccc(Br)c(F)c2)CCCCC1 ZINC000419039664 531887101 /nfs/dbraw/zinc/88/71/01/531887101.db2.gz LHFDUNCGDWBYHF-UHFFFAOYSA-N 1 0 386.265 1.982 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419041593 531887213 /nfs/dbraw/zinc/88/72/13/531887213.db2.gz NTIQXIIXOHQZBD-CQSZACIVSA-N 1 0 394.269 1.425 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000566456816 531887309 /nfs/dbraw/zinc/88/73/09/531887309.db2.gz YAVKCMHIRCGHFQ-NSHDSACASA-N 1 0 394.324 1.730 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CC[NH2+]1 ZINC000419040133 531887444 /nfs/dbraw/zinc/88/74/44/531887444.db2.gz MDENYNFZEMOPCC-MFKMUULPSA-N 1 0 382.258 1.209 20 0 GDADRO COC(=O)Cn1cc(CC[N@H+](C)C[C@@H](O)c2cccc(Br)c2)nn1 ZINC000298443027 531888026 /nfs/dbraw/zinc/88/80/26/531888026.db2.gz QQPNCCNAZJYWSV-OAHLLOKOSA-N 1 0 397.273 1.422 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419043521 531888458 /nfs/dbraw/zinc/88/84/58/531888458.db2.gz RJHZDLZFPHNTQP-FZMZJTMJSA-N 1 0 396.285 1.599 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419043203 531888644 /nfs/dbraw/zinc/88/86/44/531888644.db2.gz QQYIVHFHUULXIW-GXFFZTMASA-N 1 0 382.258 1.196 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3c(F)cc(Br)cc3F)CCN2C1=O ZINC000566505582 531889279 /nfs/dbraw/zinc/88/92/79/531889279.db2.gz YANULZFXDPCGHL-LDYMZIIASA-N 1 0 389.200 1.503 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000566678756 531890674 /nfs/dbraw/zinc/89/06/74/531890674.db2.gz KZSXEZGTXQJMSN-GJZGRUSLSA-N 1 0 388.555 1.313 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000419048838 531890821 /nfs/dbraw/zinc/89/08/21/531890821.db2.gz BAVHLLQGSMYKHK-UJDVCPFMSA-N 1 0 394.313 1.692 20 0 GDADRO CC[N@@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000567969773 531905022 /nfs/dbraw/zinc/90/50/22/531905022.db2.gz SDMQFXBKVDNHCZ-NSHDSACASA-N 1 0 394.324 1.872 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1F ZINC000596049286 531905057 /nfs/dbraw/zinc/90/50/57/531905057.db2.gz DDWCZCYTUNWCHB-VIFPVBQESA-N 1 0 392.758 1.776 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000596049863 531905317 /nfs/dbraw/zinc/90/53/17/531905317.db2.gz JGVVQJFPSRHCGT-ZDUSSCGKSA-N 1 0 377.260 1.266 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccccc3Br)C[C@H]21 ZINC000419153446 531905731 /nfs/dbraw/zinc/90/57/31/531905731.db2.gz WAVLIPODQYCWRS-UMVBOHGHSA-N 1 0 380.286 1.651 20 0 GDADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCc1ccc(I)cc1 ZINC000596065530 531906236 /nfs/dbraw/zinc/90/62/36/531906236.db2.gz RAFYHZQYYUEPLX-WFASDCNBSA-N 1 0 393.265 1.836 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCO[C@H](c3cccs3)C2)CCSC1 ZINC000283890591 531907335 /nfs/dbraw/zinc/90/73/35/531907335.db2.gz CJQBVIKMJSEMFS-SUMWQHHRSA-N 1 0 383.539 1.202 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1Br ZINC000419162994 531907529 /nfs/dbraw/zinc/90/75/29/531907529.db2.gz IKPLKDBKYZMCPS-MELADBBJSA-N 1 0 380.286 1.569 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419166080 531908276 /nfs/dbraw/zinc/90/82/76/531908276.db2.gz OFHKQQKWKSQYOF-NHYWBVRUSA-N 1 0 388.295 1.740 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419184519 531909917 /nfs/dbraw/zinc/90/99/17/531909917.db2.gz JVACMAKOHFKILW-GFCCVEGCSA-N 1 0 384.318 1.815 20 0 GDADRO C[C@@H](C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[NH+]1CC(C)C1 ZINC000568529930 531911176 /nfs/dbraw/zinc/91/11/76/531911176.db2.gz LQXSUVKVRNXSOP-NSHDSACASA-N 1 0 377.869 1.214 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)ccc1SC ZINC000675819570 531911500 /nfs/dbraw/zinc/91/15/00/531911500.db2.gz PSWIFGVMJJHDDF-AWEZNQCLSA-N 1 0 387.571 1.645 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccc1Br ZINC000283961844 531913569 /nfs/dbraw/zinc/91/35/69/531913569.db2.gz YUBGQJXYCXKSDL-UHFFFAOYSA-N 1 0 386.290 1.102 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCCc2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000419203103 531913567 /nfs/dbraw/zinc/91/35/67/531913567.db2.gz HKDYXVXXFHZPKE-KGLIPLIRSA-N 1 0 398.301 1.073 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000595969163 531900005 /nfs/dbraw/zinc/90/00/05/531900005.db2.gz BUWGIFPIHXNBBV-KGLIPLIRSA-N 1 0 385.258 1.630 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCc1ccc(Br)s1 ZINC000419104187 531901456 /nfs/dbraw/zinc/90/14/56/531901456.db2.gz AASFEMQIBRTLQU-CMPLNLGQSA-N 1 0 388.331 1.898 20 0 GDADRO CC(C)(O)C[NH+]1CCC(NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000647909091 531902736 /nfs/dbraw/zinc/90/27/36/531902736.db2.gz LWVWRYJSQYVGKE-UHFFFAOYSA-N 1 0 389.949 1.443 20 0 GDADRO C[C@@H]1CN(C(=O)c2c[nH]c3ncc(Br)cc23)C[C@H](C)[N@H+]1CCO ZINC000456242485 531903269 /nfs/dbraw/zinc/90/32/69/531903269.db2.gz MJXCUYRKDWGILG-PHIMTYICSA-N 1 0 381.274 1.853 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)COC1(C)C[NH2+]C1 ZINC000647906573 531903530 /nfs/dbraw/zinc/90/35/30/531903530.db2.gz ZSYDUVYBOGJGTD-UHFFFAOYSA-N 1 0 384.274 1.533 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccc(Br)cc1 ZINC000419148222 531903987 /nfs/dbraw/zinc/90/39/87/531903987.db2.gz JZFCZGSOEUBLHD-FATJJJSSSA-N 1 0 380.286 1.822 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000298613382 531904048 /nfs/dbraw/zinc/90/40/48/531904048.db2.gz VQUGLEQRGQWSIR-UHFFFAOYSA-N 1 0 375.878 1.138 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419142485 531904079 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C[NH+]1CCC(O)(CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000625932854 531918565 /nfs/dbraw/zinc/91/85/65/531918565.db2.gz LSMNHSAKGXCESL-VNQPRFMTSA-N 1 0 379.298 1.908 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419263535 531920099 /nfs/dbraw/zinc/92/00/99/531920099.db2.gz VVMQKOZSVWTHNX-DOMZBBRYSA-N 1 0 398.301 1.672 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1csc(Br)c1 ZINC000419273171 531920891 /nfs/dbraw/zinc/92/08/91/531920891.db2.gz AHWCAJPSSXETKB-WPRPVWTQSA-N 1 0 390.303 1.356 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1csc(Br)c1 ZINC000419273169 531921184 /nfs/dbraw/zinc/92/11/84/531921184.db2.gz AHWCAJPSSXETKB-SCZZXKLOSA-N 1 0 390.303 1.356 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000569363904 531921224 /nfs/dbraw/zinc/92/12/24/531921224.db2.gz PUCDMLQBSNWSNV-LLVKDONJSA-N 1 0 394.324 1.730 20 0 GDADRO CCCN(C(=O)C(=O)NCCOc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000419265856 531921694 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GDADRO CC1(OCC(=O)NCc2ccc(Br)cc2N2CCOCC2)C[NH2+]C1 ZINC000649378661 531925586 /nfs/dbraw/zinc/92/55/86/531925586.db2.gz ROORLXIKYRIXHM-UHFFFAOYSA-N 1 0 398.301 1.280 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3ccccc3Br)C[C@@H]21 ZINC000419211899 531914735 /nfs/dbraw/zinc/91/47/35/531914735.db2.gz YMERNPOECVQBOU-OFQRWUPVSA-N 1 0 394.313 1.694 20 0 GDADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C[C@H]1C ZINC000677177794 531915252 /nfs/dbraw/zinc/91/52/52/531915252.db2.gz WEXZFRQCMNJJAJ-HUUCEWRRSA-N 1 0 385.555 1.844 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)CC[NH2+]1 ZINC000419248094 531915931 /nfs/dbraw/zinc/91/59/31/531915931.db2.gz NZGVXAOEJLXGCN-LBPRGKRZSA-N 1 0 398.326 1.923 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796299 531915961 /nfs/dbraw/zinc/91/59/61/531915961.db2.gz JFWBBPZELSLXFT-ZWKOTPCHSA-N 1 0 385.346 1.960 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419358877 531929063 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CCn1cc(Br)cc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000597021673 531936978 /nfs/dbraw/zinc/93/69/78/531936978.db2.gz AZAVGYFKOMDWEY-UHFFFAOYSA-N 1 0 399.333 1.943 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCSCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000419569730 531937091 /nfs/dbraw/zinc/93/70/91/531937091.db2.gz UKXQFNRABSNUKA-QWHCGFSZSA-N 1 0 375.416 1.351 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)C1 ZINC000419573572 531937155 /nfs/dbraw/zinc/93/71/55/531937155.db2.gz SEDWREQNFXBHBU-QWRGUYRKSA-N 1 0 388.299 1.502 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626839703 531937600 /nfs/dbraw/zinc/93/76/00/531937600.db2.gz OOOZVTPBSSSWTJ-ZETCQYMHSA-N 1 0 394.628 1.285 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000651549415 531938023 /nfs/dbraw/zinc/93/80/23/531938023.db2.gz MSEAJWQQTSSWOY-UHFFFAOYSA-N 1 0 387.933 1.656 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])Cc1cccc(Br)c1 ZINC000419352611 531928586 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O=C(NCC/C=C/c1ccc(Br)cc1)NCC(=O)N1CC[NH2+]CC1 ZINC000627064359 531943415 /nfs/dbraw/zinc/94/34/15/531943415.db2.gz SHMPZPYTKOXFPI-HNQUOIGGSA-N 1 0 395.301 1.583 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000419622547 531943746 /nfs/dbraw/zinc/94/37/46/531943746.db2.gz GWRZAFPIKJLHLM-SMDDNHRTSA-N 1 0 386.290 1.367 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)Oc1cccc(Br)c1 ZINC000419625141 531945677 /nfs/dbraw/zinc/94/56/77/531945677.db2.gz WEYZOCCOVJWFOW-AAEUAGOBSA-N 1 0 384.274 1.282 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000570967455 531946049 /nfs/dbraw/zinc/94/60/49/531946049.db2.gz HWVALZPAIPRTBR-CMPLNLGQSA-N 1 0 380.495 1.265 20 0 GDADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)NC[C@H]1COCC[NH2+]1 ZINC000627184910 531946168 /nfs/dbraw/zinc/94/61/68/531946168.db2.gz DMNHKFCLBPRRQX-WDEREUQCSA-N 1 0 378.256 1.021 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2C)C[C@H]1C[NH3+] ZINC000652379681 531946395 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C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)Oc1ccc(Br)cc1 ZINC000419628130 531947062 /nfs/dbraw/zinc/94/70/62/531947062.db2.gz ZAFYCODQPXWMDL-DGCLKSJQSA-N 1 0 384.274 1.282 20 0 GDADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000652381721 531948122 /nfs/dbraw/zinc/94/81/22/531948122.db2.gz JXNMIQWTVNWECM-UHFFFAOYSA-N 1 0 380.491 1.214 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)NCC ZINC000571092289 531948950 /nfs/dbraw/zinc/94/89/50/531948950.db2.gz KWKCMLVRBPOLGV-AWEZNQCLSA-N 1 0 391.559 1.384 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000627302487 531949233 /nfs/dbraw/zinc/94/92/33/531949233.db2.gz OFUVZITYGKMCLP-UHFFFAOYSA-N 1 0 382.302 1.794 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cn1 ZINC000627296852 531949593 /nfs/dbraw/zinc/94/95/93/531949593.db2.gz UYGAGHXTYWSPJJ-GXFFZTMASA-N 1 0 381.274 1.422 20 0 GDADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419668850 531949634 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CN(CC(=O)NC[C@H]1CCCC[N@H+](C)C1)C(=O)c1ccc(Br)o1 ZINC000628744590 531977562 /nfs/dbraw/zinc/97/75/62/531977562.db2.gz HFLNEOROQDTLJG-GFCCVEGCSA-N 1 0 386.290 1.962 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419849842 531978250 /nfs/dbraw/zinc/97/82/50/531978250.db2.gz ZKVOGGUHHMSDJZ-HUUCEWRRSA-N 1 0 380.286 1.981 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419991179 531992408 /nfs/dbraw/zinc/99/24/08/531992408.db2.gz KNULGQXKKKCGOP-WCQYABFASA-N 1 0 382.302 1.966 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000458772661 531992656 /nfs/dbraw/zinc/99/26/56/531992656.db2.gz ZZLSKYQSCVVGMW-WCQYABFASA-N 1 0 390.297 1.989 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419980211 531993260 /nfs/dbraw/zinc/99/32/60/531993260.db2.gz QTFBJCSBDGUXMV-CYBMUJFWSA-N 1 0 382.302 1.913 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)CC2 ZINC000419855517 531979484 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O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000419893467 531982490 /nfs/dbraw/zinc/98/24/90/531982490.db2.gz MDPCZDCTRHAKPT-ZDUSSCGKSA-N 1 0 382.258 1.038 20 0 GDADRO COC(=O)C1(O)CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000271215721 531982775 /nfs/dbraw/zinc/98/27/75/531982775.db2.gz BBNLJDCNBBZEOB-UHFFFAOYSA-N 1 0 385.258 1.778 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000419900720 531983777 /nfs/dbraw/zinc/98/37/77/531983777.db2.gz ROLRWPPFCLTOPM-HUUCEWRRSA-N 1 0 396.285 1.217 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1F ZINC000271228155 531983875 /nfs/dbraw/zinc/98/38/75/531983875.db2.gz SDZHYZCQGFTALN-UHFFFAOYSA-N 1 0 393.506 1.350 20 0 GDADRO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000656937123 531983958 /nfs/dbraw/zinc/98/39/58/531983958.db2.gz FYBVDDWSFCJICZ-CHWSQXEVSA-N 1 0 385.452 1.143 20 0 GDADRO Cc1nn2c(C[NH2+]CCN(C)S(=O)(=O)c3cccs3)c(C)nc2s1 ZINC000271223759 531984072 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GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000419969646 531991294 /nfs/dbraw/zinc/99/12/94/531991294.db2.gz AIXJVLDXJJSAFE-KRWDZBQOSA-N 1 0 390.933 1.713 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000419966684 531991382 /nfs/dbraw/zinc/99/13/82/531991382.db2.gz YZKFSUMIYDUNPC-NSHDSACASA-N 1 0 376.320 1.959 20 0 GDADRO COC[C@H](O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000574876627 531998960 /nfs/dbraw/zinc/99/89/60/531998960.db2.gz COXYLNHFHNUPSY-VXGBXAGGSA-N 1 0 382.682 1.829 20 0 GDADRO O=S(=O)(C[C@H]1CCCCC1(F)F)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000574876663 531999128 /nfs/dbraw/zinc/99/91/28/531999128.db2.gz DPLSTSWTFXOEQM-VXGBXAGGSA-N 1 0 393.422 1.567 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000574864790 531999542 /nfs/dbraw/zinc/99/95/42/531999542.db2.gz BUZIGLMBRWHFBF-CQSZACIVSA-N 1 0 384.274 1.910 20 0 GDADRO CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000420095441 532001084 /nfs/dbraw/zinc/00/10/84/532001084.db2.gz SPPAPATYXWANHO-ZDUSSCGKSA-N 1 0 396.285 1.729 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420116434 532003252 /nfs/dbraw/zinc/00/32/52/532003252.db2.gz HQTXGWSKLSIPSJ-UHFFFAOYSA-N 1 0 396.329 1.956 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420127368 532004927 /nfs/dbraw/zinc/00/49/27/532004927.db2.gz PARRZBPGDLXIKP-WFASDCNBSA-N 1 0 382.302 1.912 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000420129035 532004419 /nfs/dbraw/zinc/00/44/19/532004419.db2.gz URAXXKHLAMXTKX-CYBMUJFWSA-N 1 0 382.302 1.968 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420132293 532004438 /nfs/dbraw/zinc/00/44/38/532004438.db2.gz SLNDFAISHKKBCO-DOMZBBRYSA-N 1 0 382.302 1.912 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000458975967 532004516 /nfs/dbraw/zinc/00/45/16/532004516.db2.gz KTWDXPMZETUEOS-INIZCTEOSA-N 1 0 376.567 1.468 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000420138145 532005463 /nfs/dbraw/zinc/00/54/63/532005463.db2.gz MNFXUQIUFFPQKA-UHFFFAOYSA-N 1 0 382.917 1.082 20 0 GDADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000574962858 532005713 /nfs/dbraw/zinc/00/57/13/532005713.db2.gz RWXPCERSQVWDHS-JTQLQIEISA-N 1 0 392.319 1.555 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1c(F)cncc1Br ZINC000657395111 532005807 /nfs/dbraw/zinc/00/58/07/532005807.db2.gz QSNZAMCZHWZOGP-TVQRCGJNSA-N 1 0 380.283 1.791 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c1OC ZINC000599106062 532006276 /nfs/dbraw/zinc/00/62/76/532006276.db2.gz UQMXXJYMKMWMIU-CYBMUJFWSA-N 1 0 388.873 1.698 20 0 GDADRO Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)s1 ZINC000631782602 532005075 /nfs/dbraw/zinc/00/50/75/532005075.db2.gz SAZQJPYZHSATIX-UHFFFAOYSA-N 1 0 385.555 1.630 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000420172702 532007373 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[NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000420213738 532009427 /nfs/dbraw/zinc/00/94/27/532009427.db2.gz VBNLQSBWNYVSKB-CHWSQXEVSA-N 1 0 384.933 1.289 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000459207825 532011588 /nfs/dbraw/zinc/01/15/88/532011588.db2.gz KRYWCSBKKQHKEB-UHFFFAOYSA-N 1 0 396.289 1.581 20 0 GDADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3c[nH]c4ncc(Br)cc34)[C@H]2C1 ZINC000284954147 532010525 /nfs/dbraw/zinc/01/05/25/532010525.db2.gz KPXLAKMZWILGPW-KBPBESRZSA-N 1 0 379.258 1.871 20 0 GDADRO O[C@H]1CC[N@H+](CCNc2ncnc3cccc(I)c32)C1 ZINC000599199665 532010782 /nfs/dbraw/zinc/01/07/82/532010782.db2.gz OWSMASZTZWHFTO-JTQLQIEISA-N 1 0 384.221 1.713 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000657605534 532012510 /nfs/dbraw/zinc/01/25/10/532012510.db2.gz PQPFPFCSDZOQRL-CUOATXAZSA-N 1 0 380.279 1.921 20 0 GDADRO OCCO[C@]1(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CCOC1 ZINC000657597120 532012568 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C[NH+](C)CCOc1cc(CNS(=O)(=O)C[C@H]2CCC(F)(F)C2)ccn1 ZINC000632158826 532013521 /nfs/dbraw/zinc/01/35/21/532013521.db2.gz KHPFDJYOBZEHKX-AWEZNQCLSA-N 1 0 377.457 1.877 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657864546 532016199 /nfs/dbraw/zinc/01/61/99/532016199.db2.gz QMVZDGUVKCMZHQ-UHFFFAOYSA-N 1 0 376.226 1.221 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000657875723 532016225 /nfs/dbraw/zinc/01/62/25/532016225.db2.gz HYMSSGOBNJUUTH-LBPRGKRZSA-N 1 0 396.289 1.847 20 0 GDADRO CCC(CC)C[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271467126 532017017 /nfs/dbraw/zinc/01/70/17/532017017.db2.gz VEKATOIEXZHFGS-UHFFFAOYSA-N 1 0 392.543 1.817 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000420454540 532017451 /nfs/dbraw/zinc/01/74/51/532017451.db2.gz LMZSZAWJPTWNMZ-CABZTGNLSA-N 1 0 375.288 1.790 20 0 GDADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000576158283 532019160 /nfs/dbraw/zinc/01/91/60/532019160.db2.gz QPQFUOGWZATCRZ-AWEZNQCLSA-N 1 0 391.331 1.833 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000271524011 532021686 /nfs/dbraw/zinc/02/16/86/532021686.db2.gz PVELGGLLLGFKAK-IUODEOHRSA-N 1 0 375.516 1.133 20 0 GDADRO CN(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C1(C[NH3+])CCC1 ZINC000576519145 532023938 /nfs/dbraw/zinc/02/39/38/532023938.db2.gz AEFZQURQNYGDCD-AWEZNQCLSA-N 1 0 385.555 1.077 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000271555864 532025610 /nfs/dbraw/zinc/02/56/10/532025610.db2.gz LDLOQISYQVZLEG-OLZOCXBDSA-N 1 0 381.274 1.834 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000285071965 532027111 /nfs/dbraw/zinc/02/71/11/532027111.db2.gz OPUUDDDPSYLKQK-GRYCIOLGSA-N 1 0 385.559 1.359 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000301281718 532031866 /nfs/dbraw/zinc/03/18/66/532031866.db2.gz KFPBVRBGALIRMV-LBPRGKRZSA-N 1 0 394.321 1.342 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000577055757 532032090 /nfs/dbraw/zinc/03/20/90/532032090.db2.gz YTTXTFZJJHIXOR-LBPRGKRZSA-N 1 0 381.420 1.951 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000577068075 532032424 /nfs/dbraw/zinc/03/24/24/532032424.db2.gz LXBFYIHKAUFOCL-JTQLQIEISA-N 1 0 382.404 1.968 20 0 GDADRO COC(=O)CCNC(=O)C[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599626365 532035037 /nfs/dbraw/zinc/03/50/37/532035037.db2.gz DYYCDYMBMLSJPD-AWEZNQCLSA-N 1 0 376.284 1.865 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000577391080 532035481 /nfs/dbraw/zinc/03/54/81/532035481.db2.gz QCGQKVXXDXXEBN-LSDHHAIUSA-N 1 0 380.286 1.981 20 0 GDADRO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](CCNS(C)(=O)=O)C2)CC1 ZINC000372517430 532033349 /nfs/dbraw/zinc/03/33/49/532033349.db2.gz UNQWMEXSOLEQHD-UHFFFAOYSA-N 1 0 375.535 1.649 20 0 GDADRO CSc1nc2ncnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c2s1 ZINC000301704035 532037952 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CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)C[C@@H]1[NH+](C)C ZINC000271811879 532055224 /nfs/dbraw/zinc/05/52/24/532055224.db2.gz OVRVTOOSFXULJT-GJZGRUSLSA-N 1 0 389.518 1.194 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372947070 532055330 /nfs/dbraw/zinc/05/53/30/532055330.db2.gz IPXRTHPLCUYNCG-IAQYHMDHSA-N 1 0 391.269 1.369 20 0 GDADRO CN(CC[NH2+][C@H]1CCCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000634979678 532057667 /nfs/dbraw/zinc/05/76/67/532057667.db2.gz LNUHLMFANSBMHU-AWEZNQCLSA-N 1 0 378.491 1.003 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000271827252 532056613 /nfs/dbraw/zinc/05/66/13/532056613.db2.gz RKBZZYCWQIDIOH-UONOGXRCSA-N 1 0 392.493 1.942 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)CCN2C1=O ZINC000579142182 532058101 /nfs/dbraw/zinc/05/81/01/532058101.db2.gz CLBNZCJVVPQOPR-ZQDZILKHSA-N 1 0 393.285 1.258 20 0 GDADRO COc1nc(N2CCN(C(=O)[C@H](C)[NH+]3CC(C)C3)CC2)ncc1Br ZINC000579140131 532058611 /nfs/dbraw/zinc/05/86/11/532058611.db2.gz VEXYXDUPTSRKLA-LBPRGKRZSA-N 1 0 398.305 1.237 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCNC(=O)CC2)cc1Br ZINC000634983417 532057803 /nfs/dbraw/zinc/05/78/03/532057803.db2.gz NJJWJNZYDZPAMX-KBPBESRZSA-N 1 0 385.302 1.867 20 0 GDADRO COC(=O)CN1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000271862554 532059639 /nfs/dbraw/zinc/05/96/39/532059639.db2.gz ZKKMJUMUVHDSHI-UHFFFAOYSA-N 1 0 399.285 1.947 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC2=CC[N@H+](C)CC2)s1 ZINC000271865788 532058983 /nfs/dbraw/zinc/05/89/83/532058983.db2.gz KVAIKBCSPGVJIT-HNNXBMFYSA-N 1 0 383.539 1.588 20 0 GDADRO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]CCSCC(F)(F)F ZINC000579701283 532063976 /nfs/dbraw/zinc/06/39/76/532063976.db2.gz BIFJFWMYBKXDHB-LBPRGKRZSA-N 1 0 377.388 1.749 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422481090 532064331 /nfs/dbraw/zinc/06/43/31/532064331.db2.gz VVVJNHWIYRXMOP-UHFFFAOYSA-N 1 0 396.329 1.908 20 0 GDADRO 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[NH3+][C@H]1CCN(C(=O)C(=O)N2CC=C(c3cccc(Br)c3)CC2)C1 ZINC000332146650 532167094 /nfs/dbraw/zinc/16/70/94/532167094.db2.gz OZAARAPXUIDVBV-HNNXBMFYSA-N 1 0 378.270 1.624 20 0 GDADRO CCn1c2ccc(S(=O)(=O)N3C[C@@H](SC)[C@@H]([NH+](C)C)C3)cc2oc1=O ZINC000331919425 532156345 /nfs/dbraw/zinc/15/63/45/532156345.db2.gz TUYQRLHAQPLQGC-DZGCQCFKSA-N 1 0 385.511 1.281 20 0 GDADRO CC1(C)CN(CC[NH2+]Cc2ncc(I)s2)CCO1 ZINC000286551092 532158877 /nfs/dbraw/zinc/15/88/77/532158877.db2.gz OOKVJERSCXYDOL-UHFFFAOYSA-N 1 0 381.283 1.948 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000332058147 532161213 /nfs/dbraw/zinc/16/12/13/532161213.db2.gz PKILTMIAXRGJIF-PELKAZGASA-N 1 0 386.221 1.088 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000332080862 532161912 /nfs/dbraw/zinc/16/19/12/532161912.db2.gz KPLGANINRSCRCZ-QXSJWSMHSA-N 1 0 390.571 1.560 20 0 GDADRO COc1ccc(OC)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1 ZINC000332080682 532162047 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COCC[NH2+]CCCNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000275856806 532312793 /nfs/dbraw/zinc/31/27/93/532312793.db2.gz IEWIUPRICXCNTG-UHFFFAOYSA-N 1 0 384.274 1.081 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000289048347 532314283 /nfs/dbraw/zinc/31/42/83/532314283.db2.gz FKHIFHZKZYUCOK-UHFFFAOYSA-N 1 0 382.935 1.754 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000289292560 532320865 /nfs/dbraw/zinc/32/08/65/532320865.db2.gz USDKFGHRTJGVDY-UHFFFAOYSA-N 1 0 382.511 1.549 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000289594343 532328723 /nfs/dbraw/zinc/32/87/23/532328723.db2.gz FOMAVJUSBQBKTE-CHWSQXEVSA-N 1 0 387.889 1.203 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000290018331 532335538 /nfs/dbraw/zinc/33/55/38/532335538.db2.gz FBEFVFNZTDHYII-NSHDSACASA-N 1 0 394.324 1.824 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000290027765 532335545 /nfs/dbraw/zinc/33/55/45/532335545.db2.gz FTSSDYPFEOPEKQ-NWDGAFQWSA-N 1 0 387.299 1.534 20 0 GDADRO O=C(Nc1cccnc1N1CCCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000359875092 206266049 /nfs/dbraw/zinc/26/60/49/206266049.db2.gz RPUCNSFRYRBJSW-QGZVFWFLSA-N 1 0 388.516 1.210 20 0 GDADRO O=C(CNC(=O)Cc1cccc2ccccc21)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000359954789 206272202 /nfs/dbraw/zinc/27/22/02/206272202.db2.gz FNLRWBYUEDITPX-MOPGFXCFSA-N 1 0 381.476 1.478 20 0 GDADRO COC(=O)c1cc2cc(C[NH+]3CCC(O)(CN4CCOCC4)CC3)ccc2o1 ZINC000359997734 206279387 /nfs/dbraw/zinc/27/93/87/206279387.db2.gz KHABARMMYDCELP-UHFFFAOYSA-N 1 0 388.464 1.879 20 0 GDADRO COCCN1C(=O)C[C@@H](C[NH2+]Cc2cnn3ccccc23)[C@@H]1c1cnn(C)c1C ZINC000275383311 570692381 /nfs/dbraw/zinc/69/23/81/570692381.db2.gz YXVUKTFSPZCOOS-HRAATJIYSA-N 1 0 396.495 1.702 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736295744 598827211 /nfs/dbraw/zinc/82/72/11/598827211.db2.gz XIBLYGIXXZJWDW-PWSUYJOCSA-N 1 0 389.847 1.154 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1nc(-c3ccncc3)cs1)C2 ZINC000738406137 598837988 /nfs/dbraw/zinc/83/79/88/598837988.db2.gz RZYCGTTZJPGVJW-LLVKDONJSA-N 1 0 394.468 1.413 20 0 GDADRO O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737790545 598848808 /nfs/dbraw/zinc/84/88/08/598848808.db2.gz GEYVHKDAVLGMFO-APWZRJJASA-N 1 0 395.511 1.780 20 0 GDADRO COC(=O)[C@@H]1CCC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736909770 598852559 /nfs/dbraw/zinc/85/25/59/598852559.db2.gz LGUCLGJIYABBGM-OAHLLOKOSA-N 1 0 382.428 1.276 20 0 GDADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392608 598887757 /nfs/dbraw/zinc/88/77/57/598887757.db2.gz FRWVXMDFCKZAHB-VQTJNVASSA-N 1 0 378.480 1.839 20 0 GDADRO O[C@@H](C[NH2+]C1(c2ccccc2)CCOCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738381268 598900192 /nfs/dbraw/zinc/90/01/92/598900192.db2.gz KGEZSDPJPOAEBN-SFHVURJKSA-N 1 0 395.463 1.902 20 0 GDADRO OC[C@]1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCCN(Cc2ccccc2)C1 ZINC000738393073 598900469 /nfs/dbraw/zinc/90/04/69/598900469.db2.gz IINGVLKNUBEKBH-NRFANRHFSA-N 1 0 378.480 1.983 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000737297677 598951684 /nfs/dbraw/zinc/95/16/84/598951684.db2.gz JRQHEGQRXPGEKX-OKILXGFUSA-N 1 0 392.529 1.821 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736399416 598957542 /nfs/dbraw/zinc/95/75/42/598957542.db2.gz GGMNDJFFUJQYIJ-OAHLLOKOSA-N 1 0 378.502 1.718 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000737223225 598999109 /nfs/dbraw/zinc/99/91/09/598999109.db2.gz CRQLDSNPFAVRTC-OCCSQVGLSA-N 1 0 378.502 1.574 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000737224435 599004513 /nfs/dbraw/zinc/00/45/13/599004513.db2.gz VJZILSSQMSXZHX-OKILXGFUSA-N 1 0 378.502 1.716 20 0 GDADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000737743030 599069457 /nfs/dbraw/zinc/06/94/57/599069457.db2.gz SJISCWZAKLLMAZ-LJQANCHMSA-N 1 0 397.527 1.981 20 0 GDADRO Cc1ccc(N2CCC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737352904 599070885 /nfs/dbraw/zinc/07/08/85/599070885.db2.gz SXGIPWXATKOKFL-IBGZPJMESA-N 1 0 391.479 1.914 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000820909384 599087511 /nfs/dbraw/zinc/08/75/11/599087511.db2.gz VDDOAIPGILFFBG-LBPRGKRZSA-N 1 0 389.410 1.586 20 0 GDADRO NC(=O)[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736717 599098881 /nfs/dbraw/zinc/09/88/81/599098881.db2.gz LIFUILWTNNRFPE-QGZVFWFLSA-N 1 0 397.508 1.951 20 0 GDADRO CCN(CC)C(=O)C1([NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000736522347 599133692 /nfs/dbraw/zinc/13/36/92/599133692.db2.gz JRKROCQRRVYMJA-UHFFFAOYSA-N 1 0 399.499 1.966 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCC1CCOCC1 ZINC000821586065 599146652 /nfs/dbraw/zinc/14/66/52/599146652.db2.gz IGYWCWCZVDNYJN-UHFFFAOYSA-N 1 0 386.500 1.964 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821614481 599193570 /nfs/dbraw/zinc/19/35/70/599193570.db2.gz IFTCCSLMAYCRBN-SFHVURJKSA-N 1 0 392.463 1.978 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C1 ZINC000821160656 599211245 /nfs/dbraw/zinc/21/12/45/599211245.db2.gz OGNXOIIWUQEDRM-AWEZNQCLSA-N 1 0 383.456 1.973 20 0 GDADRO CC[C@H]1CN(C(=S)Nc2ccccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000736411618 599221710 /nfs/dbraw/zinc/22/17/10/599221710.db2.gz RCFVRHUHFJEVLD-ZDUSSCGKSA-N 1 0 375.502 1.606 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cccc1-c1nn[nH]n1 ZINC000822044042 607272056 /nfs/dbraw/zinc/27/20/56/607272056.db2.gz HQIYQYHMXILMDO-QGZVFWFLSA-N 1 0 393.451 1.533 20 0 GDADRO CC[C@H]1CN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC[N@@H+]1CCOC ZINC000736406803 599244117 /nfs/dbraw/zinc/24/41/17/599244117.db2.gz CCQNPXCKCTTYKW-HNNXBMFYSA-N 1 0 391.451 1.258 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)C1 ZINC000821180234 607277361 /nfs/dbraw/zinc/27/73/61/607277361.db2.gz AMMQRASJBZVQEI-AWEZNQCLSA-N 1 0 385.472 1.304 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cccc1-c1nn[nH]n1 ZINC000822045126 607274542 /nfs/dbraw/zinc/27/45/42/607274542.db2.gz PBYQVGWHTYMJPL-UHFFFAOYSA-N 1 0 399.499 1.694 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCc3ccc(-c4nn[nH]n4)o3)cc2)C1 ZINC000822859742 607316675 /nfs/dbraw/zinc/31/66/75/607316675.db2.gz IVVQBSRBEQFJLR-CQSZACIVSA-N 1 0 381.440 1.769 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@H]2CCCn3ccnc32)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290532 599289909 /nfs/dbraw/zinc/28/99/09/599289909.db2.gz PQHGLHRHKLDWKG-ZBFHGGJFSA-N 1 0 378.440 1.336 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821626847 599291650 /nfs/dbraw/zinc/29/16/50/599291650.db2.gz BDBRNRLLEVFCHP-NSHDSACASA-N 1 0 398.393 1.253 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000820132875 607338675 /nfs/dbraw/zinc/33/86/75/607338675.db2.gz LZIRXTJRDOWVEA-LBPRGKRZSA-N 1 0 389.435 1.181 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)CCc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737160315 598240396 /nfs/dbraw/zinc/24/03/96/598240396.db2.gz ZRTGBSNUOYNZEU-UHFFFAOYSA-N 1 0 393.451 1.552 20 0 GDADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000736482165 598257420 /nfs/dbraw/zinc/25/74/20/598257420.db2.gz VWWUTSKJZDXRBF-QZTJIDSGSA-N 1 0 399.499 1.652 20 0 GDADRO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737402572 598274307 /nfs/dbraw/zinc/27/43/07/598274307.db2.gz WVLUVYAAMHUUHM-KRWDZBQOSA-N 1 0 394.479 1.737 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000735874907 598293495 /nfs/dbraw/zinc/29/34/95/598293495.db2.gz IKOBAHAAALSOEZ-UHFFFAOYSA-N 1 0 398.515 1.571 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc2nncn2c1 ZINC000736767540 598297475 /nfs/dbraw/zinc/29/74/75/598297475.db2.gz QUTLEKXINPUXJF-UHFFFAOYSA-N 1 0 391.439 1.113 20 0 GDADRO CC[N@H+](CCNC(=O)CCc1c(C)nc2c(-c3nn[nH]n3)cnn2c1C)C1CC1 ZINC000736538087 598301836 /nfs/dbraw/zinc/30/18/36/598301836.db2.gz SNGASLQOONPELT-UHFFFAOYSA-N 1 0 397.487 1.059 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)Cc1ccccc1 ZINC000736757531 598325924 /nfs/dbraw/zinc/32/59/24/598325924.db2.gz BTELJEOPHWSDHH-KRWDZBQOSA-N 1 0 397.458 1.978 20 0 GDADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000736802749 598340232 /nfs/dbraw/zinc/34/02/32/598340232.db2.gz WRBBPZNOXKHELN-MRXNPFEDSA-N 1 0 380.456 1.636 20 0 GDADRO CC[C@H]1CN([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000736412585 598345629 /nfs/dbraw/zinc/34/56/29/598345629.db2.gz WCGNFCQFMMUMFQ-PBHICJAKSA-N 1 0 387.488 1.236 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000737024450 598346311 /nfs/dbraw/zinc/34/63/11/598346311.db2.gz RZGAQZOZKZSCDP-HUUCEWRRSA-N 1 0 386.456 1.339 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000735561565 598352391 /nfs/dbraw/zinc/35/23/91/598352391.db2.gz ZWTCOTDZNUTNSI-AWEZNQCLSA-N 1 0 380.456 1.802 20 0 GDADRO CCOCC[N@@H+]1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1CC ZINC000736619556 598366844 /nfs/dbraw/zinc/36/68/44/598366844.db2.gz QPSARKJTHGMPPH-CYBMUJFWSA-N 1 0 393.517 1.299 20 0 GDADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736481046 598381305 /nfs/dbraw/zinc/38/13/05/598381305.db2.gz RJPRLDXRTHUUKQ-UHFFFAOYSA-N 1 0 391.863 1.449 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000736757775 598401599 /nfs/dbraw/zinc/40/15/99/598401599.db2.gz CVBDMFGQBKNUAF-HNNXBMFYSA-N 1 0 399.480 1.077 20 0 GDADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)[C@@H]1CCOC1 ZINC000736793209 598406737 /nfs/dbraw/zinc/40/67/37/598406737.db2.gz UGEURGAMNJHYTI-LLVKDONJSA-N 1 0 376.486 1.856 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000736990970 598413447 /nfs/dbraw/zinc/41/34/47/598413447.db2.gz XDOQNSQTRAJRRA-UHFFFAOYSA-N 1 0 389.504 1.613 20 0 GDADRO NC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737749671 598422430 /nfs/dbraw/zinc/42/24/30/598422430.db2.gz ZFYWSUBFRVVGKE-LLVKDONJSA-N 1 0 377.474 1.234 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000738347669 598425472 /nfs/dbraw/zinc/42/54/72/598425472.db2.gz MKEDRCDSDYGISI-LLVKDONJSA-N 1 0 382.877 1.379 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)CC1 ZINC000736860433 598427313 /nfs/dbraw/zinc/42/73/13/598427313.db2.gz QADACQBMIBJFFG-INIZCTEOSA-N 1 0 382.516 1.357 20 0 GDADRO CCC[NH+]1CCC(N(C)C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736481070 598428772 /nfs/dbraw/zinc/42/87/72/598428772.db2.gz SDYGFSSCEAGEIY-UHFFFAOYSA-N 1 0 387.492 1.189 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000737007592 598466410 /nfs/dbraw/zinc/46/64/10/598466410.db2.gz NULLSTQOFKGZRY-RHSMWYFYSA-N 1 0 388.472 1.107 20 0 GDADRO c1cc2ncc(C[NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)cn2n1 ZINC000738420323 598467057 /nfs/dbraw/zinc/46/70/57/598467057.db2.gz DUASRGTZPISHIN-UHFFFAOYSA-N 1 0 376.428 1.063 20 0 GDADRO O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738355323 598472371 /nfs/dbraw/zinc/47/23/71/598472371.db2.gz ORBYHIFQUBSMFQ-ZDUSSCGKSA-N 1 0 394.476 1.645 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1 ZINC000735882816 598519790 /nfs/dbraw/zinc/51/97/90/598519790.db2.gz TWXIBRXZXNRQTJ-UHFFFAOYSA-N 1 0 395.471 1.191 20 0 GDADRO c1cnn(Cc2ccccc2C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000738432525 598520545 /nfs/dbraw/zinc/52/05/45/598520545.db2.gz IBFHASSMXNZQIV-AWEZNQCLSA-N 1 0 390.455 1.140 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@H](CN1CCCC1)c1ccccc1)C2 ZINC000738425140 598520788 /nfs/dbraw/zinc/52/07/88/598520788.db2.gz KSDIMWIGFKJMBF-MAUKXSAKSA-N 1 0 393.499 1.532 20 0 GDADRO CCN(CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1C ZINC000736536283 598522990 /nfs/dbraw/zinc/52/29/90/598522990.db2.gz HLTDADWMYNGHEP-HNNXBMFYSA-N 1 0 381.488 1.529 20 0 GDADRO CCC(=O)Nc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000736309187 598523180 /nfs/dbraw/zinc/52/31/80/598523180.db2.gz LOCDORFMPSYPHJ-CYBMUJFWSA-N 1 0 381.444 1.243 20 0 GDADRO Clc1cccc2c1OCC[C@@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737573221 598524982 /nfs/dbraw/zinc/52/49/82/598524982.db2.gz CGFRGOZXWASNFE-HZMBPMFUSA-N 1 0 386.847 1.872 20 0 GDADRO FC(F)(F)c1ccccc1CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737634949 598525010 /nfs/dbraw/zinc/52/50/10/598525010.db2.gz BYKMKAURPMPNAP-NSHDSACASA-N 1 0 392.389 1.956 20 0 GDADRO c1cnn(Cc2cccc(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c2)c1 ZINC000738409429 598525772 /nfs/dbraw/zinc/52/57/72/598525772.db2.gz AWHNETKYEKDIFW-MRXNPFEDSA-N 1 0 390.455 1.140 20 0 GDADRO Cc1[nH]c2ccc(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cc2c1C ZINC000737200303 598526475 /nfs/dbraw/zinc/52/64/75/598526475.db2.gz SBNHCZFPLNJAFQ-AWEZNQCLSA-N 1 0 377.456 1.993 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccncc1)C2 ZINC000738427945 598526743 /nfs/dbraw/zinc/52/67/43/598526743.db2.gz ZRNWKNVLUABOMT-KDOFPFPSSA-N 1 0 387.451 1.879 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCc1ccc3ccccc3n1)C2 ZINC000738440694 598528780 /nfs/dbraw/zinc/52/87/80/598528780.db2.gz HYCWDFPGCHNRAY-ZDUSSCGKSA-N 1 0 375.440 1.485 20 0 GDADRO Cc1ccc([C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N2CCCC2)o1 ZINC000737320430 598529465 /nfs/dbraw/zinc/52/94/65/598529465.db2.gz QXVZULONOAPPJF-GDBMZVCRSA-N 1 0 397.487 1.433 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1ccc3c(c1)OCCCO3)C2 ZINC000738420312 598529965 /nfs/dbraw/zinc/52/99/65/598529965.db2.gz DHFPKUOJGGUSAT-CYBMUJFWSA-N 1 0 382.428 1.056 20 0 GDADRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737088511 598532003 /nfs/dbraw/zinc/53/20/03/598532003.db2.gz RHFFKCJGGLLZDJ-OCCSQVGLSA-N 1 0 398.471 1.343 20 0 GDADRO O=C(CC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)Nc1sccc1-c1nn[nH]n1 ZINC000737842427 598618125 /nfs/dbraw/zinc/61/81/25/598618125.db2.gz BQJABQHGWHXMPL-GXSJLCMTSA-N 1 0 390.391 1.644 20 0 GDADRO O=C([C@H](O)c1cccnc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737784457 598624325 /nfs/dbraw/zinc/62/43/25/598624325.db2.gz VSUUDYGTGVAOJE-GOSISDBHSA-N 1 0 393.451 1.030 20 0 GDADRO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736529089 598632823 /nfs/dbraw/zinc/63/28/23/598632823.db2.gz ISGWOBWOZOANRF-UHFFFAOYSA-N 1 0 375.452 1.386 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736570287 598698743 /nfs/dbraw/zinc/69/87/43/598698743.db2.gz XQYOPJKXPOYJCZ-UHFFFAOYSA-N 1 0 389.529 1.103 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735888584 598699779 /nfs/dbraw/zinc/69/97/79/598699779.db2.gz NDHSNYYNXPFOLT-SJLPKXTDSA-N 1 0 383.500 1.825 20 0 GDADRO C[C@@H](O)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736145284 598705914 /nfs/dbraw/zinc/70/59/14/598705914.db2.gz SJFMWIBUDRWDHP-LLVKDONJSA-N 1 0 378.864 1.942 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000735559925 598727139 /nfs/dbraw/zinc/72/71/39/598727139.db2.gz AULBMZOKTZFOJH-LSDHHAIUSA-N 1 0 397.483 1.528 20 0 GDADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000735905142 598731825 /nfs/dbraw/zinc/73/18/25/598731825.db2.gz FQPMMTLOUFUOLU-AWEZNQCLSA-N 1 0 388.476 1.021 20 0 GDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736853683 598769249 /nfs/dbraw/zinc/76/92/49/598769249.db2.gz ZMCMKCBOOOOEFZ-FYCOFBDGSA-N 1 0 381.484 1.165 20 0 GDADRO CC[NH+]1CCC(NC(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736572583 598781975 /nfs/dbraw/zinc/78/19/75/598781975.db2.gz VOPUAZBUNXIGPX-UHFFFAOYSA-N 1 0 399.499 1.904 20 0 GDADRO OCC[N@H+](CCOCC(F)(F)F)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000738394911 598782121 /nfs/dbraw/zinc/78/21/21/598782121.db2.gz YZVBLPFHTUQFBD-UHFFFAOYSA-N 1 0 384.362 1.493 20 0 GDADRO Cc1cc(N2CCC[N@H+](CCO)CC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737271194 598809977 /nfs/dbraw/zinc/80/99/77/598809977.db2.gz KJZMAMRFHZRHPJ-UHFFFAOYSA-N 1 0 392.467 1.480 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)[NH+]1CCCCC1 ZINC000735691334 598815151 /nfs/dbraw/zinc/81/51/51/598815151.db2.gz OXFVCNMYCFVHQN-KRWDZBQOSA-N 1 0 398.515 1.421 20 0 GDADRO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820709787 599300572 /nfs/dbraw/zinc/30/05/72/599300572.db2.gz LWUMZAZNUMQEMZ-QGZVFWFLSA-N 1 0 397.527 1.775 20 0 GDADRO Cc1cc(C)cc([C@@H](O)C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000822196490 599306557 /nfs/dbraw/zinc/30/65/57/599306557.db2.gz LEOPXGVTFIIAKN-SFHVURJKSA-N 1 0 379.468 1.734 20 0 GDADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000736201407 599317067 /nfs/dbraw/zinc/31/70/67/599317067.db2.gz XXGCFVRLVBVEKL-CYBMUJFWSA-N 1 0 376.428 1.188 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000821254116 599347379 /nfs/dbraw/zinc/34/73/79/599347379.db2.gz JXVMTVVSVKXDOX-ABAIWWIYSA-N 1 0 382.465 1.357 20 0 GDADRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110255 599352558 /nfs/dbraw/zinc/35/25/58/599352558.db2.gz GUHYKHFPJGYPTB-WMLDXEAASA-N 1 0 387.488 1.680 20 0 GDADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC000820240042 599353354 /nfs/dbraw/zinc/35/33/54/599353354.db2.gz BODCLDHUBURQGE-SECBINFHSA-N 1 0 392.407 1.504 20 0 GDADRO Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)c2cc1C ZINC000737283542 599363657 /nfs/dbraw/zinc/36/36/57/599363657.db2.gz DTYJUYGBFPRZHG-QGZVFWFLSA-N 1 0 377.452 1.984 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000737546190 599388872 /nfs/dbraw/zinc/38/88/72/599388872.db2.gz AGYZZPIMSWHHOZ-UHFFFAOYSA-N 1 0 399.455 1.135 20 0 GDADRO 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CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821015297 606891698 /nfs/dbraw/zinc/89/16/98/606891698.db2.gz OSSKPJAGTIDDJV-JCGIZDLHSA-N 1 0 386.500 1.917 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000821586213 606902542 /nfs/dbraw/zinc/90/25/42/606902542.db2.gz OFXFFBDPVNCKTK-MRXNPFEDSA-N 1 0 394.483 1.600 20 0 GDADRO CC(C)(O)C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C1CCOCC1 ZINC000819991263 606908478 /nfs/dbraw/zinc/90/84/78/606908478.db2.gz DCQPSNGUHOIFMN-UHFFFAOYSA-N 1 0 375.473 1.888 20 0 GDADRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820269543 606926413 /nfs/dbraw/zinc/92/64/13/606926413.db2.gz NAQCISFVYGRQEP-SWLSCSKDSA-N 1 0 376.461 1.745 20 0 GDADRO [NH2+]=C(COc1ccc(F)cc1)NOCC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822889704 606982990 /nfs/dbraw/zinc/98/29/90/606982990.db2.gz BVTVRKTWOPYXOK-UHFFFAOYSA-N 1 0 399.386 1.199 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(CCC(=O)Nc3sccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625689 606989635 /nfs/dbraw/zinc/98/96/35/606989635.db2.gz UEHADFKUZIZCHR-JSGCOSHPSA-N 1 0 375.502 1.673 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000822145801 607005696 /nfs/dbraw/zinc/00/56/96/607005696.db2.gz UXDCXAXYOIZXPZ-CABCVRRESA-N 1 0 376.486 1.280 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)c(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625514 607005810 /nfs/dbraw/zinc/00/58/10/607005810.db2.gz PWZYTIOSSUZQJG-NHYWBVRUSA-N 1 0 380.449 1.111 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)c(Cl)c3)CC[C@H]21 ZINC000821625735 607005834 /nfs/dbraw/zinc/00/58/34/607005834.db2.gz UWNHOUPWUIJLFI-IAQYHMDHSA-N 1 0 396.904 1.625 20 0 GDADRO CC(C)(C)OC1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819946515 607022819 /nfs/dbraw/zinc/02/28/19/607022819.db2.gz MRZLJKVKRWHDJD-OAHLLOKOSA-N 1 0 375.473 1.886 20 0 GDADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821938222 607058801 /nfs/dbraw/zinc/05/88/01/607058801.db2.gz ZBFKEOBBIAXGHZ-AWEZNQCLSA-N 1 0 382.465 1.300 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000822216142 607095916 /nfs/dbraw/zinc/09/59/16/607095916.db2.gz GCTSFOLDDKNFEV-ZBFHGGJFSA-N 1 0 383.456 1.056 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821689839 607099288 /nfs/dbraw/zinc/09/92/88/607099288.db2.gz OOYSWYCWSZZZMZ-UHFFFAOYSA-N 1 0 376.461 1.061 20 0 GDADRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C[C@@H]1N1CCOCC1 ZINC000820994948 607177271 /nfs/dbraw/zinc/17/72/71/607177271.db2.gz LQGVNSJPEOEAHO-YJBOKZPZSA-N 1 0 399.499 1.238 20 0 GDADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000823078977 607178029 /nfs/dbraw/zinc/17/80/29/607178029.db2.gz ZXDVEBRUSWDCDA-MSOLQXFVSA-N 1 0 384.484 1.293 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000823313511 607180486 /nfs/dbraw/zinc/18/04/86/607180486.db2.gz CZNJQCDELGHWSX-VXGBXAGGSA-N 1 0 389.847 1.202 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000823009920 607225319 /nfs/dbraw/zinc/22/53/19/607225319.db2.gz YVOVUXLGTVDSJH-ZWKOTPCHSA-N 1 0 399.499 1.163 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(CCS(=O)(=O)c3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000826034902 607816230 /nfs/dbraw/zinc/81/62/30/607816230.db2.gz YQSJCHDIHPNYGP-NVXWUHKLSA-N 1 0 390.513 1.057 20 0 GDADRO C[C@@H]1C[C@@H](N(C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000824885395 607828767 /nfs/dbraw/zinc/82/87/67/607828767.db2.gz SNXIYPWCBSVMFX-HIFRSBDPSA-N 1 0 378.502 1.055 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000826022641 607906961 /nfs/dbraw/zinc/90/69/61/607906961.db2.gz QEBJHLQMXHBBIV-HNNXBMFYSA-N 1 0 376.486 1.219 20 0 GDADRO Fc1cccn2cc(C[NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)nc12 ZINC000826378477 607909254 /nfs/dbraw/zinc/90/92/54/607909254.db2.gz LZJXBGLHVLQRRT-UHFFFAOYSA-N 1 0 393.430 1.807 20 0 GDADRO COCCCOC1CC[NH+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)CC1 ZINC000826156515 607924082 /nfs/dbraw/zinc/92/40/82/607924082.db2.gz HGWNFLYQLVNOSP-UHFFFAOYSA-N 1 0 389.456 1.671 20 0 GDADRO C[N@@H+]1CC[C@H](NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826028470 608007155 /nfs/dbraw/zinc/00/71/55/608007155.db2.gz AXTAPFJJNPUQTD-HKUYNNGSSA-N 1 0 377.452 1.840 20 0 GDADRO C[N@@H+]1CC[C@H](NC(=O)COc2ccccc2-c2nn[nH]n2)[C@@H]1c1ccccc1 ZINC000826028651 608007158 /nfs/dbraw/zinc/00/71/58/608007158.db2.gz FGANKNFZVMRUMT-LPHOPBHVSA-N 1 0 378.436 1.807 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3ccnc3)cc2)c1-c1nn[nH]n1 ZINC000826084017 608019028 /nfs/dbraw/zinc/01/90/28/608019028.db2.gz UCKGHGBTDSIOBN-UHFFFAOYSA-N 1 0 392.427 1.180 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(F)cc2F)c1-c1nn[nH]n1 ZINC000826077336 608020128 /nfs/dbraw/zinc/02/01/28/608020128.db2.gz DQVHCEWBUBMUTO-UHFFFAOYSA-N 1 0 376.371 1.201 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCOCc2ccccc2)c1-c1nn[nH]n1 ZINC000826077570 608021242 /nfs/dbraw/zinc/02/12/42/608021242.db2.gz MUZLOSPZHRGNIT-UHFFFAOYSA-N 1 0 384.444 1.287 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3cnccc32)c1-c1nn[nH]n1 ZINC000826083005 608021507 /nfs/dbraw/zinc/02/15/07/608021507.db2.gz DXMVLBNVULXITH-UHFFFAOYSA-N 1 0 377.412 1.542 20 0 GDADRO O=C(CC[NH+]1CCC(O)(C(F)(F)F)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407310 608040084 /nfs/dbraw/zinc/04/00/84/608040084.db2.gz IPUSVGORRWBPRL-UHFFFAOYSA-N 1 0 384.362 1.585 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3sccc3-c3nn[nH]n3)CC2)CC1 ZINC000824300760 608040954 /nfs/dbraw/zinc/04/09/54/608040954.db2.gz KHSLLBONNCHPQK-UHFFFAOYSA-N 1 0 389.529 1.559 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825069047 608062748 /nfs/dbraw/zinc/06/27/48/608062748.db2.gz XHJWHPBWADRGKQ-YOEHRIQHSA-N 1 0 387.488 1.680 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC000824893973 608064276 /nfs/dbraw/zinc/06/42/76/608064276.db2.gz WGAJSBVFSPTKCM-KBRIMQKVSA-N 1 0 385.472 1.432 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824975981 608065290 /nfs/dbraw/zinc/06/52/90/608065290.db2.gz LQZMECDFPHRZNZ-BVGQSLNGSA-N 1 0 397.483 1.432 20 0 GDADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000824393252 608112939 /nfs/dbraw/zinc/11/29/39/608112939.db2.gz RDRBSNMSBUKPRK-BFQNTYOBSA-N 1 0 386.435 1.346 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000826277642 608119300 /nfs/dbraw/zinc/11/93/00/608119300.db2.gz BHTCBGZBNQAYJN-YJBOKZPZSA-N 1 0 398.515 1.665 20 0 GDADRO O=C(NCC[C@@H]1CCOC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826435909 608130451 /nfs/dbraw/zinc/13/04/51/608130451.db2.gz BNIVVZHZMDHREW-QGZVFWFLSA-N 1 0 399.499 1.511 20 0 GDADRO O=C(CC[N@@H+]1CCOCC2(CCOCC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407367 608134014 /nfs/dbraw/zinc/13/40/14/608134014.db2.gz KQFXYTISPOWUGC-UHFFFAOYSA-N 1 0 386.456 1.324 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)CCC1CC1 ZINC000825865763 608148401 /nfs/dbraw/zinc/14/84/01/608148401.db2.gz JZGRXWBBFUTYJR-UHFFFAOYSA-N 1 0 378.502 1.360 20 0 GDADRO C[C@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824999340 608150771 /nfs/dbraw/zinc/15/07/71/608150771.db2.gz FQTPYGXLZZHMDB-SWLSCSKDSA-N 1 0 376.896 1.377 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1CONC(=[NH2+])[C@@H]1COc2ccccc2O1 ZINC000826184729 608153438 /nfs/dbraw/zinc/15/34/38/608153438.db2.gz IRWSCJDLAAOXJZ-INIZCTEOSA-N 1 0 382.380 1.714 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826479319 608170555 /nfs/dbraw/zinc/17/05/55/608170555.db2.gz WLBCTSQUEVQTLY-BBRMVZONSA-N 1 0 383.456 1.186 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCC1=O ZINC000824865465 608218795 /nfs/dbraw/zinc/21/87/95/608218795.db2.gz IRPQUGAHCMIQEN-RHSMWYFYSA-N 1 0 384.484 1.762 20 0 GDADRO C[NH+](C)CCOc1cc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)ccn1 ZINC000825870194 608226340 /nfs/dbraw/zinc/22/63/40/608226340.db2.gz DLXAOIMTQYNEPK-UHFFFAOYSA-N 1 0 385.403 1.271 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C[C@@H]1C ZINC000825445018 608255584 /nfs/dbraw/zinc/25/55/84/608255584.db2.gz UNRPIHQHXTXECD-WDEREUQCSA-N 1 0 377.518 1.898 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C[C@@H]1C ZINC000825445241 608256075 /nfs/dbraw/zinc/25/60/75/608256075.db2.gz YJDKZYSUUXVQPV-NWDGAFQWSA-N 1 0 377.880 1.873 20 0 GDADRO COCCC[N@H+](CCOC)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000826156249 608310407 /nfs/dbraw/zinc/31/04/07/608310407.db2.gz VTKJWZBVGVPDJE-UHFFFAOYSA-N 1 0 385.472 1.846 20 0 GDADRO CC[C@H](O)C[NH+]1CCN(Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000825153088 608313148 /nfs/dbraw/zinc/31/31/48/608313148.db2.gz FACYSFBSJXPXAC-KRWDZBQOSA-N 1 0 396.499 1.249 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000825443755 608315124 /nfs/dbraw/zinc/31/51/24/608315124.db2.gz FJELQYCEYUUJCH-VKJFTORMSA-N 1 0 383.500 1.777 20 0 GDADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825860740 608316352 /nfs/dbraw/zinc/31/63/52/608316352.db2.gz VNNNDYWPWDESMW-UHFFFAOYSA-N 1 0 385.472 1.386 20 0 GDADRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826321606 608320458 /nfs/dbraw/zinc/32/04/58/608320458.db2.gz JJLKXSHRVZABMW-DOTOQJQBSA-N 1 0 383.456 1.783 20 0 GDADRO O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000826485194 608332505 /nfs/dbraw/zinc/33/25/05/608332505.db2.gz GQTWJCJAZQRFBR-AWEZNQCLSA-N 1 0 380.449 1.006 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825195531 608332854 /nfs/dbraw/zinc/33/28/54/608332854.db2.gz XAUUXQGKDHLSFA-OAHLLOKOSA-N 1 0 396.492 1.690 20 0 GDADRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000825860060 608342857 /nfs/dbraw/zinc/34/28/57/608342857.db2.gz LGZZRQOJYXLKSK-UHFFFAOYSA-N 1 0 384.893 1.482 20 0 GDADRO O[C@H](C[NH+]1CCC(CNc2ccc(-c3nn[nH]n3)nn2)CC1)c1ccccc1 ZINC000826502367 608414897 /nfs/dbraw/zinc/41/48/97/608414897.db2.gz BQZQCYIFGWSFAD-QGZVFWFLSA-N 1 0 380.456 1.514 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000826187960 608428231 /nfs/dbraw/zinc/42/82/31/608428231.db2.gz JPZUZFURNFGKIW-GFCCVEGCSA-N 1 0 384.415 1.981 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCO2 ZINC000824563791 608430023 /nfs/dbraw/zinc/43/00/23/608430023.db2.gz QDLNJSLNAKWXFE-GFCCVEGCSA-N 1 0 380.408 1.562 20 0 GDADRO O=S(=O)(CC[NH2+][C@@H](CCO)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484738 608433010 /nfs/dbraw/zinc/43/30/10/608433010.db2.gz NUSUGDBVEPVMST-KRWDZBQOSA-N 1 0 387.465 1.354 20 0 GDADRO COCCN(CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)OC(C)(C)C ZINC000826158195 608451173 /nfs/dbraw/zinc/45/11/73/608451173.db2.gz FGMHYESTPYMANH-UHFFFAOYSA-N 1 0 376.461 1.840 20 0 GDADRO C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@@H]1n1ccnc1 ZINC000824956112 608452853 /nfs/dbraw/zinc/45/28/53/608452853.db2.gz QIASAZZDSZLFPV-PBHICJAKSA-N 1 0 380.456 1.975 20 0 GDADRO COCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826164565 608459811 /nfs/dbraw/zinc/45/98/11/608459811.db2.gz GZNQYHIREXHFHX-CQSZACIVSA-N 1 0 380.452 1.980 20 0 GDADRO COc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826188046 608472144 /nfs/dbraw/zinc/47/21/44/608472144.db2.gz MEJLYKSSDMFRAJ-ZDUSSCGKSA-N 1 0 396.451 1.851 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(-c2nn[nH]n2)c1 ZINC000824564091 608481763 /nfs/dbraw/zinc/48/17/63/608481763.db2.gz RNIZPVKRSJADHL-CZUORRHYSA-N 1 0 394.435 1.474 20 0 GDADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCCCC1 ZINC000824478186 608490657 /nfs/dbraw/zinc/49/06/57/608490657.db2.gz FQTCFJDLODXYKM-ZIAGYGMSSA-N 1 0 385.472 1.035 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NCCOc1cccc(F)c1 ZINC000826412632 608533349 /nfs/dbraw/zinc/53/33/49/608533349.db2.gz WIHFPCLMXIAZIL-UHFFFAOYSA-N 1 0 396.426 1.780 20 0 GDADRO C[S@@](=O)C[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826225028 608580233 /nfs/dbraw/zinc/58/02/33/608580233.db2.gz RIWBCHLCTVGVDG-JYRCXFKTSA-N 1 0 398.492 1.905 20 0 GDADRO COc1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826201876 608581386 /nfs/dbraw/zinc/58/13/86/608581386.db2.gz HDLSGNZRFWUATE-ZDUSSCGKSA-N 1 0 387.465 1.827 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000824906914 608646912 /nfs/dbraw/zinc/64/69/12/608646912.db2.gz FFBTXCLINOYFPZ-HZPDHXFCSA-N 1 0 387.507 1.996 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000826522246 608666032 /nfs/dbraw/zinc/66/60/32/608666032.db2.gz SQQYXIPLMHMAFF-CQSZACIVSA-N 1 0 375.440 1.843 20 0 GDADRO C[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H]1CCCN(c2cccnn2)C1 ZINC000825991542 608683164 /nfs/dbraw/zinc/68/31/64/608683164.db2.gz FIMZYADAFAGYMH-HNNXBMFYSA-N 1 0 390.455 1.405 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000825000565 608839701 /nfs/dbraw/zinc/83/97/01/608839701.db2.gz SMGTXTYLUCIRMI-CYBMUJFWSA-N 1 0 375.440 1.849 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000825001009 608839888 /nfs/dbraw/zinc/83/98/88/608839888.db2.gz WBORKXFZPVPFCY-CQSZACIVSA-N 1 0 387.451 1.916 20 0 GDADRO Cc1cc(C(=O)NCCC[NH+]2CCCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258887 609140915 /nfs/dbraw/zinc/14/09/15/609140915.db2.gz AJEYOKIUSFUUKE-UHFFFAOYSA-N 1 0 394.483 1.967 20 0 GDADRO CCC[C@@H]1C[C@@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)CCO1 ZINC000825255709 609142564 /nfs/dbraw/zinc/14/25/64/609142564.db2.gz YNZLLTZSZIXGCS-NWDGAFQWSA-N 1 0 376.465 1.276 20 0 GDADRO Cc1cc(C(=O)NCC2([NH+](C)C)CCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259667 609148020 /nfs/dbraw/zinc/14/80/20/609148020.db2.gz ZKOXTJIELUEFIK-UHFFFAOYSA-N 1 0 394.483 1.965 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C1 ZINC000825453269 609151470 /nfs/dbraw/zinc/15/14/70/609151470.db2.gz UVGHTKNUNZGSMD-HNNXBMFYSA-N 1 0 394.483 1.823 20 0 GDADRO Cc1cc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258048 609160324 /nfs/dbraw/zinc/16/03/24/609160324.db2.gz XVKSKAJTTPRFNB-SJCJKPOMSA-N 1 0 380.456 1.383 20 0 GDADRO CCn1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000825799866 609168028 /nfs/dbraw/zinc/16/80/28/609168028.db2.gz UUXPRPUYNIOYGQ-DYVFJYSZSA-N 1 0 380.456 1.929 20 0 GDADRO Cc1c2c(nc(SCC(=O)NCCC[NH+](C)C)c1-c1nn[nH]n1)CCC2 ZINC000826242783 609174991 /nfs/dbraw/zinc/17/49/91/609174991.db2.gz GCYMTOUZBHAYOK-UHFFFAOYSA-N 1 0 375.502 1.219 20 0 GDADRO C[NH+](C)CCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825860309 609178608 /nfs/dbraw/zinc/17/86/08/609178608.db2.gz PPXNWZXAPASNNO-INIZCTEOSA-N 1 0 385.472 1.210 20 0 GDADRO COc1nc(C)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826221768 609186841 /nfs/dbraw/zinc/18/68/41/609186841.db2.gz TYWHWPIXJNNVHM-UHFFFAOYSA-N 1 0 395.467 1.783 20 0 GDADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826433709 609188198 /nfs/dbraw/zinc/18/81/98/609188198.db2.gz OPEURMKAZVBACY-OALUTQOASA-N 1 0 392.463 1.853 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824875212 609199109 /nfs/dbraw/zinc/19/91/09/609199109.db2.gz JRCKSCIXYVLGIL-RVKKMQEKSA-N 1 0 386.500 1.774 20 0 GDADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825511771 609202229 /nfs/dbraw/zinc/20/22/29/609202229.db2.gz FEUXCBBZZDDRPI-AWEZNQCLSA-N 1 0 389.460 1.075 20 0 GDADRO Cc1ccc([C@H](CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[NH+](C)C)cc1 ZINC000826284083 609213729 /nfs/dbraw/zinc/21/37/29/609213729.db2.gz JKJGOPQXJBKHIP-ROUUACIJSA-N 1 0 380.452 1.628 20 0 GDADRO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824249589 609244889 /nfs/dbraw/zinc/24/48/89/609244889.db2.gz PPNDIDIRYZIDRR-SFHVURJKSA-N 1 0 386.500 1.774 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccccc2SC)c1-c1nn[nH]n1 ZINC000826077130 609267515 /nfs/dbraw/zinc/26/75/15/609267515.db2.gz ATPBTGJFEOLEIM-UHFFFAOYSA-N 1 0 386.485 1.645 20 0 GDADRO O=S(=O)(CC[N@@H+]1CCC[C@H]1C1CCOCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484586 609283948 /nfs/dbraw/zinc/28/39/48/609283948.db2.gz IORIJUODOWTXMM-KRWDZBQOSA-N 1 0 391.497 1.531 20 0 GDADRO CN(C)C(=O)CC1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825839085 609297198 /nfs/dbraw/zinc/29/71/98/609297198.db2.gz FPUZXSWNPVOJMM-UHFFFAOYSA-N 1 0 385.472 1.386 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C)nc2Cl)c1-c1nn[nH]n1 ZINC000826083399 609322168 /nfs/dbraw/zinc/32/21/68/609322168.db2.gz KRVGNGKMZNWKEQ-UHFFFAOYSA-N 1 0 375.824 1.351 20 0 GDADRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824593707 609332267 /nfs/dbraw/zinc/33/22/67/609332267.db2.gz SELHVDGMBSYEKL-DYVFJYSZSA-N 1 0 389.479 1.599 20 0 GDADRO COc1cccc([C@H]2[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000826215790 609337034 /nfs/dbraw/zinc/33/70/34/609337034.db2.gz YVQBNKYPLRTXFM-WMZOPIPTSA-N 1 0 393.451 1.911 20 0 GDADRO COCCN1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826159304 609338519 /nfs/dbraw/zinc/33/85/19/609338519.db2.gz ATAHLXGJXFBLQN-QGZVFWFLSA-N 1 0 382.472 1.078 20 0 GDADRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1=O ZINC000824899511 609341004 /nfs/dbraw/zinc/34/10/04/609341004.db2.gz KOIBAJWQEUJGLZ-CSMYWGQOSA-N 1 0 392.467 1.366 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824553246 609347222 /nfs/dbraw/zinc/34/72/22/609347222.db2.gz ANYOYEYXMHNSDQ-ZIBATOQPSA-N 1 0 382.465 1.326 20 0 GDADRO C[C@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824522404 609350178 /nfs/dbraw/zinc/35/01/78/609350178.db2.gz SBCRLANUHDTNBT-ZDUSSCGKSA-N 1 0 381.440 1.693 20 0 GDADRO CC(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000823989345 609358342 /nfs/dbraw/zinc/35/83/42/609358342.db2.gz UPXATUZOBUDOJF-ZDUSSCGKSA-N 1 0 379.262 1.730 20 0 GDADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000824910277 609358525 /nfs/dbraw/zinc/35/85/25/609358525.db2.gz WSVZHMVNYDCBCT-BXKDBHETSA-N 1 0 379.262 1.715 20 0 GDADRO COCCC[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826155469 609367193 /nfs/dbraw/zinc/36/71/93/609367193.db2.gz RFDOBBJHLZWNQA-MRXNPFEDSA-N 1 0 386.500 1.964 20 0 GDADRO O=C1[C@@H]([NH2+]Cc2cccc3c2OCO3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476423 609413373 /nfs/dbraw/zinc/41/33/73/609413373.db2.gz HKPVVHFZAJOGFE-INIZCTEOSA-N 1 0 392.419 1.881 20 0 GDADRO CC(=O)c1ccc(-c2nn[nH]n2)cc1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000824019653 609421589 /nfs/dbraw/zinc/42/15/89/609421589.db2.gz JQCKWWCGYNCCEK-QGZVFWFLSA-N 1 0 383.500 1.676 20 0 GDADRO COc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826219224 609427313 /nfs/dbraw/zinc/42/73/13/609427313.db2.gz WEPZEANXHFXEOX-INIZCTEOSA-N 1 0 382.424 1.527 20 0 GDADRO CCOC(=O)c1ccc(-c2nn[nH]n2)c(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000825559158 609448271 /nfs/dbraw/zinc/44/82/71/609448271.db2.gz CGIUVTVZRNVKCG-TXEJJXNPSA-N 1 0 390.469 1.394 20 0 GDADRO CC(C)(C)OC(=O)CCCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824100549 609514022 /nfs/dbraw/zinc/51/40/22/609514022.db2.gz UOJDMUCVRWCRPV-UHFFFAOYSA-N 1 0 387.488 1.896 20 0 GDADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000824953524 609525242 /nfs/dbraw/zinc/52/52/42/609525242.db2.gz FHARJFBVKKPQNV-UHFFFAOYSA-N 1 0 398.920 1.920 20 0 GDADRO Cc1c(Cl)cnc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1-c1nn[nH]n1 ZINC000826237672 609530273 /nfs/dbraw/zinc/53/02/73/609530273.db2.gz ICRQTVYCGUNUCM-ZDUSSCGKSA-N 1 0 377.880 1.915 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824936921 609538941 /nfs/dbraw/zinc/53/89/41/609538941.db2.gz NHQNWUHYPSPGMZ-LLVKDONJSA-N 1 0 384.893 1.673 20 0 GDADRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000826023137 609543250 /nfs/dbraw/zinc/54/32/50/609543250.db2.gz XROZSJKRGOTUMK-UHFFFAOYSA-N 1 0 384.893 1.530 20 0 GDADRO Cc1c(Cl)cnc(N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1-c1nn[nH]n1 ZINC000826236746 609550361 /nfs/dbraw/zinc/55/03/61/609550361.db2.gz AZZRCSNEGVBRLV-CQSZACIVSA-N 1 0 390.923 1.828 20 0 GDADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000825860079 609560458 /nfs/dbraw/zinc/56/04/58/609560458.db2.gz LXDZJIQMPZQDEC-UHFFFAOYSA-N 1 0 398.920 1.919 20 0 GDADRO CN(C)c1ncc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000825883229 609599580 /nfs/dbraw/zinc/59/95/80/609599580.db2.gz DUACLSFHWSMNBU-MRXNPFEDSA-N 1 0 393.455 1.008 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C[C@H]1C ZINC000825443835 609605039 /nfs/dbraw/zinc/60/50/39/609605039.db2.gz GWZOTHWYOOIXOT-HUUCEWRRSA-N 1 0 394.483 1.916 20 0 GDADRO COc1cc(C[NH2+]C[C@](C)(O)CN2CCOCC2)cc(Br)c1O ZINC000531094534 649987069 /nfs/dbraw/zinc/98/70/69/649987069.db2.gz CCKBSSAEYRXMNZ-INIZCTEOSA-N 1 0 389.290 1.336 20 0 GDADRO Cc1oc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1S(N)(=O)=O ZINC000531524931 649993105 /nfs/dbraw/zinc/99/31/05/649993105.db2.gz NDJVJMYWDMZGQN-CYBMUJFWSA-N 1 0 385.873 1.922 20 0 GDADRO COc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)sc1S(N)(=O)=O ZINC000531787994 649997286 /nfs/dbraw/zinc/99/72/86/649997286.db2.gz AUAWCQUPGRJZJC-UHFFFAOYSA-N 1 0 375.516 1.208 20 0 GDADRO COc1ccsc1S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000531863188 649998839 /nfs/dbraw/zinc/99/88/39/649998839.db2.gz OHKWDQAYEISMMB-UHFFFAOYSA-N 1 0 378.516 1.651 20 0 GDADRO O=C(NCC[NH+]1CCC1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000533571154 650071728 /nfs/dbraw/zinc/07/17/28/650071728.db2.gz QOWWEJZYDHESQW-UHFFFAOYSA-N 1 0 397.317 1.791 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2c(F)cc(Cl)c(C)c2F)C1 ZINC000535639961 650251698 /nfs/dbraw/zinc/25/16/98/650251698.db2.gz ALOVPWOPVNLNFN-JTQLQIEISA-N 1 0 375.803 1.702 20 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/nfs/dbraw/zinc/35/45/96/650354596.db2.gz XBRHZRVDULWIFP-NSHDSACASA-N 1 0 394.269 1.580 20 0 GDADRO CCC1(CC)[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)[C@@H](C)[C@H]1OC ZINC000540606959 650365139 /nfs/dbraw/zinc/36/51/39/650365139.db2.gz KHIUEJQGHHYHHY-YYIAUSFCSA-N 1 0 376.563 1.904 20 0 GDADRO CSc1ncc(Cl)c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000541438851 650384331 /nfs/dbraw/zinc/38/43/31/650384331.db2.gz INWHVAJVLJBURQ-UHFFFAOYSA-N 1 0 386.905 1.151 20 0 GDADRO COCCN1CCC([NH2+]C[C@H](O)COc2ccccc2Br)CC1 ZINC000545192004 650451157 /nfs/dbraw/zinc/45/11/57/650451157.db2.gz SEXLMTOAIONVGP-HNNXBMFYSA-N 1 0 387.318 1.889 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(I)ccc2F)C1 ZINC000545861142 650462435 /nfs/dbraw/zinc/46/24/35/650462435.db2.gz KPMYISJVWJNJIT-CYBMUJFWSA-N 1 0 378.185 1.227 20 0 GDADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000546092050 650470678 /nfs/dbraw/zinc/47/06/78/650470678.db2.gz HPNUYGOHRLMABA-UHFFFAOYSA-N 1 0 387.933 1.672 20 0 GDADRO Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2cncc(Br)c2)C1=O ZINC000545926233 650466773 /nfs/dbraw/zinc/46/67/73/650466773.db2.gz PHJZWTHZOOQRIY-AWEZNQCLSA-N 1 0 378.274 1.858 20 0 GDADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000546568402 650478872 /nfs/dbraw/zinc/47/88/72/650478872.db2.gz RDYGSXQDOCENKV-BONVTDFDSA-N 1 0 375.238 1.538 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(C)cc1Br ZINC000547279695 650493899 /nfs/dbraw/zinc/49/38/99/650493899.db2.gz WFXVHGLMOJHUBK-AWEZNQCLSA-N 1 0 377.304 1.411 20 0 GDADRO CCc1ncc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000547304730 650494491 /nfs/dbraw/zinc/49/44/91/650494491.db2.gz SLSLHAMMFUDRQB-HNNXBMFYSA-N 1 0 381.523 1.751 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(Br)cc1O ZINC000547746566 650514609 /nfs/dbraw/zinc/51/46/09/650514609.db2.gz LFCCNEPEIPASSU-ZDUSSCGKSA-N 1 0 384.274 1.153 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000548449134 650545952 /nfs/dbraw/zinc/54/59/52/650545952.db2.gz FABZXPRDTYVGFB-MRXNPFEDSA-N 1 0 399.310 1.947 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CCSC1 ZINC000548654336 650559185 /nfs/dbraw/zinc/55/91/85/650559185.db2.gz FQYBFCQFGIXHPL-FZMZJTMJSA-N 1 0 382.452 1.134 20 0 GDADRO CCC[N@H+](C[C@H](O)COc1ccc(Br)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000549164867 650571357 /nfs/dbraw/zinc/57/13/57/650571357.db2.gz IBWVIWFGEURFDP-ZFWWWQNUSA-N 1 0 399.285 1.658 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000549589394 650578987 /nfs/dbraw/zinc/57/89/87/650578987.db2.gz KPNCSULRPGZICZ-UHFFFAOYSA-N 1 0 394.900 1.351 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000550455059 650593150 /nfs/dbraw/zinc/59/31/50/650593150.db2.gz WFPSVERLSKAGBH-UHFFFAOYSA-N 1 0 384.318 1.956 20 0 GDADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)C1 ZINC000916186874 660188589 /nfs/dbraw/zinc/18/85/89/660188589.db2.gz PILQMIKSBWHDGG-JTQLQIEISA-N 1 0 377.293 1.829 20 0 GDADRO CN(Cc1cc(Cl)ccc1F)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550838621 650597380 /nfs/dbraw/zinc/59/73/80/650597380.db2.gz KATWSJXZFLTRJE-KRWDZBQOSA-N 1 0 387.908 1.991 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000552082147 650618824 /nfs/dbraw/zinc/61/88/24/650618824.db2.gz IIDNPEUQHXGLIN-GHMZBOCLSA-N 1 0 376.284 1.943 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)CC2CCS(=O)(=O)CC2)C1 ZINC000553797810 650657871 /nfs/dbraw/zinc/65/78/71/650657871.db2.gz FZLNWXJYBPVVKQ-BFYDXBDKSA-N 1 0 392.587 1.478 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3nc(CC(F)(F)F)cs3)[C@H]2C1 ZINC000556047105 650698706 /nfs/dbraw/zinc/69/87/06/650698706.db2.gz DFPCZADNOGWTLU-KOLCDFICSA-N 1 0 376.404 1.739 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCc1nc(C(F)(F)F)cs1)C[NH+]1CCCC1 ZINC000556369076 650703701 /nfs/dbraw/zinc/70/37/01/650703701.db2.gz OZKYUQQMWOJCGD-SNVBAGLBSA-N 1 0 378.420 1.626 20 0 GDADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000556905744 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384.274 1.950 20 0 GDADRO C[C@@H](c1ncc(Br)cn1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000561844778 650735758 /nfs/dbraw/zinc/73/57/58/650735758.db2.gz MERBCEHBXPHKBL-ZDUSSCGKSA-N 1 0 382.306 1.540 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(I)cc1 ZINC000561847991 650735911 /nfs/dbraw/zinc/73/59/11/650735911.db2.gz WSSHBWREFDMYRN-UHFFFAOYSA-N 1 0 389.281 1.905 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cccc(Br)c1C ZINC000563898202 650742839 /nfs/dbraw/zinc/74/28/39/650742839.db2.gz DVCJPUVFWUYKEW-AWEZNQCLSA-N 1 0 382.302 1.974 20 0 GDADRO NC(=O)NC(=O)CC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000564122924 650749869 /nfs/dbraw/zinc/74/98/69/650749869.db2.gz BZRDQDDAAFTALO-LBPRGKRZSA-N 1 0 381.782 1.693 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000564225976 650752918 /nfs/dbraw/zinc/75/29/18/650752918.db2.gz NLGZTELGQDZACO-BXUZGUMPSA-N 1 0 398.301 1.603 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)sc1C(F)(F)F ZINC000564679020 650764552 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CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161684669 644854424 /nfs/dbraw/zinc/85/44/24/644854424.db2.gz AVENEVCVOFIXCU-VHSXEESVSA-N 1 0 375.288 1.852 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000163111558 644859957 /nfs/dbraw/zinc/85/99/57/644859957.db2.gz KIRGGXMCWNXKDJ-JTQLQIEISA-N 1 0 375.853 1.341 20 0 GDADRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000568423318 650958663 /nfs/dbraw/zinc/95/86/63/650958663.db2.gz OJHOTAZPOYNDOP-CYBMUJFWSA-N 1 0 388.917 1.895 20 0 GDADRO Brc1nc(Br)n(CN2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000175234851 644904285 /nfs/dbraw/zinc/90/42/85/644904285.db2.gz SYUMWCLNZQGWLM-VIFPVBQESA-N 1 0 379.100 1.931 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1F ZINC000177720206 644920817 /nfs/dbraw/zinc/92/08/17/644920817.db2.gz WATCLMCOJMXKEC-GHMZBOCLSA-N 1 0 376.425 1.855 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1C ZINC000179729983 644935962 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Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@](C)(O)c1ccsc1 ZINC000192709030 645042437 /nfs/dbraw/zinc/04/24/37/645042437.db2.gz PGMBGSWRVPFHQO-INIZCTEOSA-N 1 0 386.543 1.309 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000193267256 645047180 /nfs/dbraw/zinc/04/71/80/645047180.db2.gz NPVMPVOFTPKISW-SNVBAGLBSA-N 1 0 386.417 1.210 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193290160 645048891 /nfs/dbraw/zinc/04/88/91/645048891.db2.gz RSZAYUMEAIJABV-CMPLNLGQSA-N 1 0 375.288 1.790 20 0 GDADRO CC1(NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[NH2+]CC1 ZINC000193358326 645049865 /nfs/dbraw/zinc/04/98/65/645049865.db2.gz OIDDJNARPAAGAB-UHFFFAOYSA-N 1 0 375.288 1.725 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000193412365 645050863 /nfs/dbraw/zinc/05/08/63/645050863.db2.gz BCDBNOUIVVSLHG-LDYMZIIASA-N 1 0 378.248 1.634 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000193412379 645050924 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GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)ccc1Br ZINC000237203660 645084260 /nfs/dbraw/zinc/08/42/60/645084260.db2.gz MYJUUXLFJRWWLZ-JTQLQIEISA-N 1 0 391.287 1.514 20 0 GDADRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000237358593 645085508 /nfs/dbraw/zinc/08/55/08/645085508.db2.gz FLXMYWBIORAZAJ-UHFFFAOYSA-N 1 0 392.275 1.977 20 0 GDADRO [NH3+]CC1(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CCCC1 ZINC000237779726 645087327 /nfs/dbraw/zinc/08/73/27/645087327.db2.gz QUVXCXNFMSSOKF-UHFFFAOYSA-N 1 0 379.258 1.547 20 0 GDADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000568999853 650979998 /nfs/dbraw/zinc/97/99/98/650979998.db2.gz VJLKQEJRJVNILY-LBPRGKRZSA-N 1 0 393.481 1.650 20 0 GDADRO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000261618805 645114421 /nfs/dbraw/zinc/11/44/21/645114421.db2.gz BCUFTOPUQNGSOF-QMMMGPOBSA-N 1 0 376.276 1.220 20 0 GDADRO CSc1ccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261884870 645118752 /nfs/dbraw/zinc/11/87/52/645118752.db2.gz UZDJINLXSBKNQH-CYBMUJFWSA-N 1 0 383.461 1.523 20 0 GDADRO O=C(NCC1C[NH2+]C1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000261937088 645119482 /nfs/dbraw/zinc/11/94/82/645119482.db2.gz FVHWYZBNYRLMON-UHFFFAOYSA-N 1 0 379.507 1.218 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000262123979 645123820 /nfs/dbraw/zinc/12/38/20/645123820.db2.gz VXUVAMBXXRXPBC-BBRMVZONSA-N 1 0 389.543 1.123 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(Br)c1 ZINC000262792836 645139466 /nfs/dbraw/zinc/13/94/66/645139466.db2.gz OOODKPLCEHGODY-ONGXEEELSA-N 1 0 391.287 1.655 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C[C@@H]1[NH+](C)C ZINC000273673837 645169515 /nfs/dbraw/zinc/16/95/15/645169515.db2.gz JMKPYPMPSSCVCS-LSDHHAIUSA-N 1 0 386.543 1.460 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000569459185 651001100 /nfs/dbraw/zinc/00/11/00/651001100.db2.gz RZLOHFXLAKBDOV-SECBINFHSA-N 1 0 399.822 1.457 20 0 GDADRO COc1ccc(Br)cc1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000330509661 645366995 /nfs/dbraw/zinc/36/69/95/645366995.db2.gz JGSGUSPKNGSPTE-UHFFFAOYSA-N 1 0 378.288 1.487 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000569594981 651005776 /nfs/dbraw/zinc/00/57/76/651005776.db2.gz ASIDSMISKMMLNP-CYBMUJFWSA-N 1 0 384.933 1.274 20 0 GDADRO COc1ccc(C(=O)CN2C(=O)NC3(CC[NH2+]CC3)C2=O)cc1Br ZINC000569599315 651006030 /nfs/dbraw/zinc/00/60/30/651006030.db2.gz QDTPGFHZXCFGEU-UHFFFAOYSA-N 1 0 396.241 1.314 20 0 GDADRO CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N[C@@H](CC[NH3+])C(F)F)cc1 ZINC000569606225 651006820 /nfs/dbraw/zinc/00/68/20/651006820.db2.gz BKBXONVFZYLGAT-ZDUSSCGKSA-N 1 0 379.429 1.314 20 0 GDADRO COc1cc([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)ccc1S(C)(=O)=O ZINC000330663151 645396127 /nfs/dbraw/zinc/39/61/27/645396127.db2.gz UYJAMRBLSSWAGU-QWHCGFSZSA-N 1 0 390.527 1.031 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000569678389 651010061 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1.926 20 0 GDADRO CNS(=O)(=O)NC1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000331456854 645514226 /nfs/dbraw/zinc/51/42/26/645514226.db2.gz AOJQWZSHRDAUQM-UHFFFAOYSA-N 1 0 385.515 1.249 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000331463318 645514853 /nfs/dbraw/zinc/51/48/53/645514853.db2.gz KYXKVKWDOWBQSF-NEPJUHHUSA-N 1 0 386.315 1.537 20 0 GDADRO NS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)c1 ZINC000569960496 651019413 /nfs/dbraw/zinc/01/94/13/651019413.db2.gz KATCJWAVTFCLIF-OAHLLOKOSA-N 1 0 384.885 1.655 20 0 GDADRO CS[C@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C[C@H]1[NH+](C)C ZINC000331856667 645538907 /nfs/dbraw/zinc/53/89/07/645538907.db2.gz WDVRXWSRPBKBMK-CVEARBPZSA-N 1 0 383.539 1.344 20 0 GDADRO O=S(=O)([C@@H]1CCC[N@H+](CCCO[C@H]2CCCCO2)C1)N1CCOCC1 ZINC000367290543 645600197 /nfs/dbraw/zinc/60/01/97/645600197.db2.gz MSFLKLYDYMXWNR-SJORKVTESA-N 1 0 376.519 1.046 20 0 GDADRO Cn1cncc1CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000368268058 645614814 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GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423102145 646114616 /nfs/dbraw/zinc/11/46/16/646114616.db2.gz NZLCFDHBWXPQBE-HNNXBMFYSA-N 1 0 398.301 1.374 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)C1 ZINC000423167388 646117088 /nfs/dbraw/zinc/11/70/88/646117088.db2.gz FANXPBCIGOBJFA-NSHDSACASA-N 1 0 388.331 1.927 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000423175578 646118073 /nfs/dbraw/zinc/11/80/73/646118073.db2.gz DXEBAUGRDQFYRZ-GJZGRUSLSA-N 1 0 396.285 1.169 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423231942 646119026 /nfs/dbraw/zinc/11/90/26/646119026.db2.gz BJOJYLVZZVBTAL-IUODEOHRSA-N 1 0 386.279 1.714 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423236678 646120566 /nfs/dbraw/zinc/12/05/66/646120566.db2.gz SCSYMDPULMKKSO-YPMHNXCESA-N 1 0 398.276 1.615 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423241537 646121300 /nfs/dbraw/zinc/12/13/00/646121300.db2.gz YEGTWVHBUARIOR-IAQYHMDHSA-N 1 0 398.276 1.757 20 0 GDADRO C[C@@H](NC[C@H]1C[NH2+]CCN1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423524777 646127319 /nfs/dbraw/zinc/12/73/19/646127319.db2.gz SZEKBEIFIXPPQI-NXEZZACHSA-N 1 0 381.329 1.195 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(c3cccc(Br)c3)CC2)C1 ZINC000423527216 646128348 /nfs/dbraw/zinc/12/83/48/646128348.db2.gz MAEWFZGGSAUIJI-MRXNPFEDSA-N 1 0 394.313 1.975 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)CC2 ZINC000423561553 646130210 /nfs/dbraw/zinc/13/02/10/646130210.db2.gz PWRVOOOUUJMATE-AWEZNQCLSA-N 1 0 380.286 1.592 20 0 GDADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C3)cs1 ZINC000423569774 646131460 /nfs/dbraw/zinc/13/14/60/646131460.db2.gz SWYVLPIVTCVSDJ-LBPRGKRZSA-N 1 0 376.507 1.624 20 0 GDADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)C(=O)N2CC[NH2+]CC2)C3)cs1 ZINC000423571645 646131539 /nfs/dbraw/zinc/13/15/39/646131539.db2.gz VZSOSIKPFVBJFM-UHFFFAOYSA-N 1 0 376.507 1.497 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)s2)C[C@H]1[NH3+] ZINC000423576056 646132102 /nfs/dbraw/zinc/13/21/02/646132102.db2.gz XHEVMKVIOFQTDI-MXWKQRLJSA-N 1 0 386.315 1.980 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000423579306 646132493 /nfs/dbraw/zinc/13/24/93/646132493.db2.gz NYOOQPLZZVLVPI-RISCZKNCSA-N 1 0 396.285 1.551 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000423625512 646138521 /nfs/dbraw/zinc/13/85/21/646138521.db2.gz DBSKYHDDEHVNDX-VNHYZAJKSA-N 1 0 394.313 1.961 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423625372 646138639 /nfs/dbraw/zinc/13/86/39/646138639.db2.gz CXQGFEDAJVADOC-TZMCWYRMSA-N 1 0 382.302 1.646 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000423625531 646138641 /nfs/dbraw/zinc/13/86/41/646138641.db2.gz FWEVZDQPNQQXBX-OCCSQVGLSA-N 1 0 380.286 1.572 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000423655148 646139843 /nfs/dbraw/zinc/13/98/43/646139843.db2.gz RSCPFMOGNDLTGF-GHMZBOCLSA-N 1 0 386.265 1.742 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000423661460 646140622 /nfs/dbraw/zinc/14/06/22/646140622.db2.gz LLSWCQLYWJMFLH-UKRRQHHQSA-N 1 0 394.313 1.833 20 0 GDADRO CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H](C[NH3+])C1CC1 ZINC000423940701 646144557 /nfs/dbraw/zinc/14/45/57/646144557.db2.gz AWNSJANDWHHZCL-AWEZNQCLSA-N 1 0 386.265 1.904 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@@H]1C[NH3+] ZINC000423999546 646151140 /nfs/dbraw/zinc/15/11/40/646151140.db2.gz NKHVCCYOKPNEKM-ZJUUUORDSA-N 1 0 382.258 1.837 20 0 GDADRO CN(CC[NH3+])C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000424004695 646151758 /nfs/dbraw/zinc/15/17/58/646151758.db2.gz NHVWBGSMQPZPDT-GFCCVEGCSA-N 1 0 386.265 1.858 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)COc3cccc(Br)c3)C2)nn1 ZINC000424002405 646151801 /nfs/dbraw/zinc/15/18/01/646151801.db2.gz OFXGBBGJOVHYJH-AWEZNQCLSA-N 1 0 394.273 1.742 20 0 GDADRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1Br ZINC000424005393 646151834 /nfs/dbraw/zinc/15/18/34/646151834.db2.gz RSKTVAXURLBNNN-NSHDSACASA-N 1 0 396.293 1.823 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CCCO1 ZINC000424022087 646153938 /nfs/dbraw/zinc/15/39/38/646153938.db2.gz OKFIAXNUJXMSDT-NSHDSACASA-N 1 0 380.242 1.893 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCCO1 ZINC000424026163 646154575 /nfs/dbraw/zinc/15/45/75/646154575.db2.gz UDBSTIBJHFHMNV-OLZOCXBDSA-N 1 0 386.279 1.923 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCCO1 ZINC000424026165 646154684 /nfs/dbraw/zinc/15/46/84/646154684.db2.gz UDBSTIBJHFHMNV-STQMWFEESA-N 1 0 386.279 1.923 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000424060394 646157392 /nfs/dbraw/zinc/15/73/92/646157392.db2.gz PTQIRUGMVAOUAA-AWEZNQCLSA-N 1 0 396.285 1.114 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)c3cc4c(c(Br)c3)OCO4)C[C@H]2[NH3+])cn1 ZINC000424229865 646167333 /nfs/dbraw/zinc/16/73/33/646167333.db2.gz YFBRZJUWKUCCFK-WCQYABFASA-N 1 0 393.241 1.478 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424362422 646174666 /nfs/dbraw/zinc/17/46/66/646174666.db2.gz LONMHCYKWNLEOW-HZPDHXFCSA-N 1 0 389.543 1.777 20 0 GDADRO CCCC[N@@H+](CC(N)=O)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439443844 646233042 /nfs/dbraw/zinc/23/30/42/646233042.db2.gz NXYCCQCEBIATBA-ZDUSSCGKSA-N 1 0 377.254 1.915 20 0 GDADRO O=C(NCC1CC[NH+](CCO)CC1)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000440058094 646237485 /nfs/dbraw/zinc/23/74/85/646237485.db2.gz XUVWZIQNMWCBOL-UHFFFAOYSA-N 1 0 392.258 1.892 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000440510670 646246373 /nfs/dbraw/zinc/24/63/73/646246373.db2.gz XDXDVZTXQGMULX-YOEHRIQHSA-N 1 0 389.539 1.801 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C1CCCC1 ZINC000440518630 646246979 /nfs/dbraw/zinc/24/69/79/646246979.db2.gz JYQDAMYYHRBYNI-CQSZACIVSA-N 1 0 388.555 1.879 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC(C[NH3+])CC2)c(OC)cc1Br ZINC000440731666 646253490 /nfs/dbraw/zinc/25/34/90/646253490.db2.gz KBRBUNKEJJIXLI-UHFFFAOYSA-N 1 0 393.303 1.826 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000442143860 646262982 /nfs/dbraw/zinc/26/29/82/646262982.db2.gz XGZHTZIZEPGTMM-GHMZBOCLSA-N 1 0 384.274 1.995 20 0 GDADRO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)sc1S(N)(=O)=O ZINC000442149281 646263000 /nfs/dbraw/zinc/26/30/00/646263000.db2.gz GJIHFDYESCKWBJ-LBPRGKRZSA-N 1 0 383.495 1.437 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000917223905 660208206 /nfs/dbraw/zinc/20/82/06/660208206.db2.gz OMZOXTPSARJTSA-CYBMUJFWSA-N 1 0 399.337 1.070 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCCCC1 ZINC000917661040 660218946 /nfs/dbraw/zinc/21/89/46/660218946.db2.gz LYSBOMLYNRWRKN-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000917897917 660224020 /nfs/dbraw/zinc/22/40/20/660224020.db2.gz GIZZGAYADCXEPO-UHFFFAOYSA-N 1 0 375.897 1.488 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc(I)s2)C1 ZINC000903494195 659318405 /nfs/dbraw/zinc/31/84/05/659318405.db2.gz CXJQGAFAGCBVPN-HTQZYQBOSA-N 1 0 386.280 1.711 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903526799 659330401 /nfs/dbraw/zinc/33/04/01/659330401.db2.gz OOIVEWOJNWDSOS-LLVKDONJSA-N 1 0 391.287 1.691 20 0 GDADRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3ccc4c(c3)CS(=O)(=O)C4)C[C@@]2(C)C1 ZINC000918368827 660234724 /nfs/dbraw/zinc/23/47/24/660234724.db2.gz OAGADTMCBYKHCH-IAGOWNOFSA-N 1 0 384.523 1.077 20 0 GDADRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)Cc3cccc(S(C)(=O)=O)c3)C[C@]2(C)C1 ZINC000918370509 660234864 /nfs/dbraw/zinc/23/48/64/660234864.db2.gz XTVOOAGNGMEXQC-CALCHBBNSA-N 1 0 386.539 1.194 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000918947624 660243233 /nfs/dbraw/zinc/24/32/33/660243233.db2.gz OWSWBYATSRYTOH-ZDUSSCGKSA-N 1 0 378.907 1.126 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2sccc2Br)C1 ZINC000918945210 660243259 /nfs/dbraw/zinc/24/32/59/660243259.db2.gz BUWJFHHUEDGDFD-GFCCVEGCSA-N 1 0 383.333 1.588 20 0 GDADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)s1 ZINC000918948008 660243473 /nfs/dbraw/zinc/24/34/73/660243473.db2.gz VVSFBVCOFDYYRS-BLLLJJGKSA-N 1 0 389.543 1.022 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000918956833 660243855 /nfs/dbraw/zinc/24/38/55/660243855.db2.gz PZWFVOQBBIKDJP-HNNXBMFYSA-N 1 0 391.331 1.667 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC000918963348 660244026 /nfs/dbraw/zinc/24/40/26/660244026.db2.gz UBOPEXDKKXHXNT-AWEZNQCLSA-N 1 0 384.395 1.922 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000442773165 647163880 /nfs/dbraw/zinc/16/38/80/647163880.db2.gz WSAQWJDORRGKPY-RYUDHWBXSA-N 1 0 388.921 1.198 20 0 GDADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC[N@@H+]1C ZINC000442959147 647165827 /nfs/dbraw/zinc/16/58/27/647165827.db2.gz YLVQDUNXKVWXGL-BXKDBHETSA-N 1 0 390.303 1.309 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000442973991 647166991 /nfs/dbraw/zinc/16/69/91/647166991.db2.gz GIIACHJAXLQIPQ-VXGBXAGGSA-N 1 0 375.441 1.232 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000443003909 647169179 /nfs/dbraw/zinc/16/91/79/647169179.db2.gz BMWDCUKROJUQKV-XQQFMLRXSA-N 1 0 387.527 1.956 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000443490344 647210162 /nfs/dbraw/zinc/21/01/62/647210162.db2.gz WGHOLIKGQZLRDC-GFCCVEGCSA-N 1 0 375.516 1.576 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C(F)F)o1)C2 ZINC000920274180 660268628 /nfs/dbraw/zinc/26/86/28/660268628.db2.gz MQAVAYJRAZHPNC-XYJYNPGVSA-N 1 0 378.441 1.975 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cn(C)c(Cl)n3)C2)[C@@H]1C(C)C ZINC000920303815 660269830 /nfs/dbraw/zinc/26/98/30/660269830.db2.gz RUXLDDYKSWZHAX-HLSYRSCKSA-N 1 0 390.937 1.222 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000445553566 647269959 /nfs/dbraw/zinc/26/99/59/647269959.db2.gz MPVXSWIQEXXFCH-VXGBXAGGSA-N 1 0 391.515 1.005 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000920088511 660265528 /nfs/dbraw/zinc/26/55/28/660265528.db2.gz DVNKGFOFPQWXCM-QWRGUYRKSA-N 1 0 398.706 1.619 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cnc2C)C1 ZINC000453682002 647327592 /nfs/dbraw/zinc/32/75/92/647327592.db2.gz VSXYECYCOOKSPE-GFCCVEGCSA-N 1 0 383.290 1.891 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C(=O)Nc1cccc(Br)c1 ZINC000453819093 647340158 /nfs/dbraw/zinc/34/01/58/647340158.db2.gz MBVPZKOSUNWUDK-CQSZACIVSA-N 1 0 384.274 1.351 20 0 GDADRO CC[N@H+](CCNC(=O)NCc1nn(C)cc1I)C1CC1 ZINC000454471612 647357243 /nfs/dbraw/zinc/35/72/43/647357243.db2.gz TXVQNJAKDYOJBW-UHFFFAOYSA-N 1 0 391.257 1.308 20 0 GDADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000456206976 647397007 /nfs/dbraw/zinc/39/70/07/647397007.db2.gz RSTLVUKPVKOOLF-UHFFFAOYSA-N 1 0 375.560 1.690 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000457675815 647423903 /nfs/dbraw/zinc/42/39/03/647423903.db2.gz FBBFNSXZLBMEQX-HOTGVXAUSA-N 1 0 376.567 1.370 20 0 GDADRO CSC1(CNC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)CC[NH+](C)CC1 ZINC000460980413 647481572 /nfs/dbraw/zinc/48/15/72/647481572.db2.gz SSFFRCUWMGSPRY-UHFFFAOYSA-N 1 0 385.555 1.508 20 0 GDADRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O ZINC000461720259 647500270 /nfs/dbraw/zinc/50/02/70/647500270.db2.gz ATJGPJZHEVSBLS-CYBMUJFWSA-N 1 0 391.559 1.660 20 0 GDADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000461900928 647503265 /nfs/dbraw/zinc/50/32/65/647503265.db2.gz MYCXJRBRPJHLHT-ZDUSSCGKSA-N 1 0 380.919 1.242 20 0 GDADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cccc(I)c1 ZINC000461898559 647503318 /nfs/dbraw/zinc/50/33/18/647503318.db2.gz HCPYCOUGHMLDJD-LBPRGKRZSA-N 1 0 380.251 1.649 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1F ZINC000461898904 647503357 /nfs/dbraw/zinc/50/33/57/647503357.db2.gz CBIPHWDFSIQRHB-OAHLLOKOSA-N 1 0 393.506 1.335 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)s1 ZINC000461903645 647503546 /nfs/dbraw/zinc/50/35/46/647503546.db2.gz NERRHRAFYYVEQU-OAHLLOKOSA-N 1 0 387.571 1.811 20 0 GDADRO CC[NH+]1CCN(CC(=O)N[C@H](C(=O)OC)c2ccc(Br)cc2)CC1 ZINC000461991789 647504663 /nfs/dbraw/zinc/50/46/63/647504663.db2.gz SDAPHKYVUVFKLQ-INIZCTEOSA-N 1 0 398.301 1.417 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)CCc1ccccc1Br ZINC000462112848 647510458 /nfs/dbraw/zinc/51/04/58/647510458.db2.gz UKMARRHXBMLGKL-UHFFFAOYSA-N 1 0 393.347 1.879 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)[C@@H](C)C1 ZINC000462146573 647513733 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390.527 1.142 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(CCC(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574292340 651529844 /nfs/dbraw/zinc/52/98/44/651529844.db2.gz LPRHWRAZZOWNGQ-UONOGXRCSA-N 1 0 381.274 1.022 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000574311194 651531768 /nfs/dbraw/zinc/53/17/68/651531768.db2.gz BKRXIPNNFZENOH-QWRGUYRKSA-N 1 0 394.269 1.549 20 0 GDADRO Cc1cc(NC(=O)CC[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)no1 ZINC000574312096 651532080 /nfs/dbraw/zinc/53/20/80/651532080.db2.gz HTVHHBAFPDXADZ-UHFFFAOYSA-N 1 0 392.890 1.595 20 0 GDADRO CCc1oc(C(=O)OC)cc1S(=O)(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000574368133 651535777 /nfs/dbraw/zinc/53/57/77/651535777.db2.gz CHOGBIUTVNHBON-UHFFFAOYSA-N 1 0 390.527 1.734 20 0 GDADRO C[C@]([NH3+])(C(=O)N1CCc2nc[nH]c(=O)c2C1)c1ccc(Br)cc1 ZINC000574450275 651543300 /nfs/dbraw/zinc/54/33/00/651543300.db2.gz KWGCDRGFNGVVHG-MRXNPFEDSA-N 1 0 377.242 1.704 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[NH2+]C[C@H]1C ZINC000574519470 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Cc1nc(-c2cccs2)c(CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000594885777 652385996 /nfs/dbraw/zinc/38/59/96/652385996.db2.gz KWHJNONKVWGIQF-RYUDHWBXSA-N 1 0 376.507 1.493 20 0 GDADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc(Cl)c1OCC(N)=O ZINC000594969528 652387827 /nfs/dbraw/zinc/38/78/27/652387827.db2.gz ZYXAZTICEPMTGN-UXGGDIESSA-N 1 0 388.917 1.992 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C(=O)OC)C1 ZINC000595101433 652391253 /nfs/dbraw/zinc/39/12/53/652391253.db2.gz BXIKMWHOVQAPOY-SNVBAGLBSA-N 1 0 391.287 1.466 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000595107447 652392470 /nfs/dbraw/zinc/39/24/70/652392470.db2.gz DHXPMBUEZIUSKI-UHFFFAOYSA-N 1 0 377.260 1.395 20 0 GDADRO C[C@H](CCNC(=O)C(=O)Nc1ccccc1I)[NH+](C)C ZINC000595127139 652394387 /nfs/dbraw/zinc/39/43/87/652394387.db2.gz ZTVVQSHCPJPBKT-SNVBAGLBSA-N 1 0 389.237 1.686 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000595231378 652399626 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COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H](N)CC[NH+](C)C)C2 ZINC000596003867 652432579 /nfs/dbraw/zinc/43/25/79/652432579.db2.gz UCRVNYXIVPQXDS-VIFPVBQESA-N 1 0 390.303 1.418 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596127819 652437158 /nfs/dbraw/zinc/43/71/58/652437158.db2.gz BSJZJKJBNOZKLK-HNNXBMFYSA-N 1 0 384.230 1.042 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(c2ncc(I)cn2)CC1 ZINC000596250590 652438057 /nfs/dbraw/zinc/43/80/57/652438057.db2.gz GZUXLQDDDKCGFJ-UHFFFAOYSA-N 1 0 376.242 1.411 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c1F ZINC000599414443 652494158 /nfs/dbraw/zinc/49/41/58/652494158.db2.gz DQXYZCUMOISGIL-LLVKDONJSA-N 1 0 376.425 1.762 20 0 GDADRO C[NH2+]CCOCCNC(=O)Nc1ccc(I)cc1C ZINC000599594394 652509969 /nfs/dbraw/zinc/50/99/69/652509969.db2.gz GURKXCOXRBWSID-UHFFFAOYSA-N 1 0 377.226 1.957 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599903998 652517810 /nfs/dbraw/zinc/51/78/10/652517810.db2.gz RDTPGUMEYIRISC-GZMMTYOYSA-N 1 0 384.230 1.041 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1csc(C(F)(F)F)c1 ZINC000600159707 652529374 /nfs/dbraw/zinc/52/93/74/652529374.db2.gz WCKCZVKZOHZOLP-UHFFFAOYSA-N 1 0 379.448 1.989 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1I ZINC000600805927 652554411 /nfs/dbraw/zinc/55/44/11/652554411.db2.gz CKQMNALZVNBKMQ-JTQLQIEISA-N 1 0 394.640 1.741 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000600856147 652555928 /nfs/dbraw/zinc/55/59/28/652555928.db2.gz PVQJOUCHWYKQBH-CZUORRHYSA-N 1 0 383.334 1.925 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000601307088 652567167 /nfs/dbraw/zinc/56/71/67/652567167.db2.gz WSWSZKMCEZDNMP-CYBMUJFWSA-N 1 0 382.473 1.616 20 0 GDADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000601320225 652567654 /nfs/dbraw/zinc/56/76/54/652567654.db2.gz OFTUZVIMLBMIMU-GFCCVEGCSA-N 1 0 391.515 1.277 20 0 GDADRO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)S(=O)(=O)CCC[NH+](C)C ZINC000601370322 652571835 /nfs/dbraw/zinc/57/18/35/652571835.db2.gz RAVOZBPNLKQLLF-CQSZACIVSA-N 1 0 382.404 1.531 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1OC ZINC000601422729 652579292 /nfs/dbraw/zinc/57/92/92/652579292.db2.gz XSBZBLGAHFANDR-GWCFXTLKSA-N 1 0 390.889 1.848 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000601574617 652594947 /nfs/dbraw/zinc/59/49/47/652594947.db2.gz LZPCRINZVSFVRV-PHIMTYICSA-N 1 0 396.241 1.137 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)CC)CC1 ZINC000601792339 652605872 /nfs/dbraw/zinc/60/58/72/652605872.db2.gz WHNROYSUYPPPRI-CQSZACIVSA-N 1 0 379.592 1.380 20 0 GDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCn3cc(Br)cn3)C2)CC1 ZINC000602198596 652624049 /nfs/dbraw/zinc/62/40/49/652624049.db2.gz FJAHIEQGDNLFIC-CQSZACIVSA-N 1 0 384.322 1.320 20 0 GDADRO Cn1cc(I)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000602292450 652628477 /nfs/dbraw/zinc/62/84/77/652628477.db2.gz OIXWMBIALGVBFQ-JQWIXIFHSA-N 1 0 388.253 1.581 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCSCCOc1cccc(Br)c1 ZINC000602452546 652637419 /nfs/dbraw/zinc/63/74/19/652637419.db2.gz DGLINUJOCVMNJV-KGLIPLIRSA-N 1 0 389.315 1.794 20 0 GDADRO C[S@@](=O)C1(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)CC[NH2+]CC1 ZINC000602470477 652638564 /nfs/dbraw/zinc/63/85/64/652638564.db2.gz GKLZYACPTUNYRI-DLUDVSRJSA-N 1 0 383.945 1.926 20 0 GDADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(I)c(C)n2)C1 ZINC000602491027 652639931 /nfs/dbraw/zinc/63/99/31/652639931.db2.gz NAHFOKWUERMMDI-NOZJJQNGSA-N 1 0 375.210 1.700 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000602493157 652639939 /nfs/dbraw/zinc/63/99/39/652639939.db2.gz OGCZCFBTASGUGT-ARLBYUKCSA-N 1 0 393.281 1.698 20 0 GDADRO COC(=O)[C@]1(NC(=O)[C@H](C)[C@H](C)[NH3+])CCc2cc(Br)ccc2C1 ZINC000602545870 652640561 /nfs/dbraw/zinc/64/05/61/652640561.db2.gz YFUKOSFBJHSDHY-RLFDGXBXSA-N 1 0 383.286 1.949 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]Cc1ccc(I)s1 ZINC000602545890 652640606 /nfs/dbraw/zinc/64/06/06/652640606.db2.gz RENKBCKKZIXTLB-UHFFFAOYSA-N 1 0 388.296 1.770 20 0 GDADRO COc1ccc(C(=O)NC2(C[NH3+])CCOCC2)c(I)c1 ZINC000602547247 652640889 /nfs/dbraw/zinc/64/08/89/652640889.db2.gz MSLNUXGQBPTTEU-UHFFFAOYSA-N 1 0 390.221 1.538 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)c2sc3c(c2I)CNC3)C[NH2+]1 ZINC000602552179 652640901 /nfs/dbraw/zinc/64/09/01/652640901.db2.gz GLLWVDCGNFSLOP-HTQZYQBOSA-N 1 0 391.278 1.826 20 0 GDADRO [NH3+]CCCOCCNC(=O)c1sc2c(c1I)CNC2 ZINC000602552721 652641305 /nfs/dbraw/zinc/64/13/05/652641305.db2.gz PJZXDSKDKWRQMB-UHFFFAOYSA-N 1 0 395.266 1.051 20 0 GDADRO CO[C@]1(C[NH2+]CC(=O)Nc2ccc(I)cc2)CCOC1 ZINC000602654265 652644257 /nfs/dbraw/zinc/64/42/57/652644257.db2.gz RCLAKZCMIDBRLP-AWEZNQCLSA-N 1 0 390.221 1.625 20 0 GDADRO C[S@](=O)C1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000602657773 652644658 /nfs/dbraw/zinc/64/46/58/652644658.db2.gz SQENVBWREOTBSR-IBGZPJMESA-N 1 0 381.317 1.097 20 0 GDADRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc(I)s2)C1 ZINC000602696843 652645403 /nfs/dbraw/zinc/64/54/03/652645403.db2.gz CITCWBKUAUAAKN-MRVPVSSYSA-N 1 0 386.280 1.476 20 0 GDADRO CC(C)C[NH+]1CCC(NC(=O)c2nn(C)cc2I)CC1 ZINC000602777730 652645839 /nfs/dbraw/zinc/64/58/39/652645839.db2.gz ZUWXNOJEAMVXIM-UHFFFAOYSA-N 1 0 390.269 1.875 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)c2nn(C)cc2I)CC1 ZINC000602769058 652645909 /nfs/dbraw/zinc/64/59/09/652645909.db2.gz MKRKTZMTGPQBGA-UHFFFAOYSA-N 1 0 376.242 1.627 20 0 GDADRO CSC1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000602922615 652656041 /nfs/dbraw/zinc/65/60/41/652656041.db2.gz LIBDKGQCKYRVAM-UHFFFAOYSA-N 1 0 385.555 1.210 20 0 GDADRO COC[C@@](C)(CO)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000602933885 652658643 /nfs/dbraw/zinc/65/86/43/652658643.db2.gz ZETHUFRPHQLAPS-CYBMUJFWSA-N 1 0 378.210 1.217 20 0 GDADRO OC1(CC[NH+]2CCN(c3ncc(I)cn3)CC2)CCC1 ZINC000602952759 652660284 /nfs/dbraw/zinc/66/02/84/652660284.db2.gz AVOKFYUDBCBUQF-UHFFFAOYSA-N 1 0 388.253 1.508 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1nn(C)cc1I ZINC000603056492 652674252 /nfs/dbraw/zinc/67/42/52/652674252.db2.gz IIKOPRQYIQGJNZ-SNVBAGLBSA-N 1 0 378.258 1.875 20 0 GDADRO Cn1cc(I)c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000603067388 652676243 /nfs/dbraw/zinc/67/62/43/652676243.db2.gz MXOJJNXSAKQNJM-CQSZACIVSA-N 1 0 388.253 1.583 20 0 GDADRO Cn1cc(I)c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000603068908 652676754 /nfs/dbraw/zinc/67/67/54/652676754.db2.gz MSIBHBRUGMGGJR-JTQLQIEISA-N 1 0 376.242 1.486 20 0 GDADRO COCC[NH2+]CCc1cn(Cc2ccc(C(=O)OC)cc2Br)nn1 ZINC000603242287 652688266 /nfs/dbraw/zinc/68/82/66/652688266.db2.gz RKXCTXJFXCUSMZ-UHFFFAOYSA-N 1 0 397.273 1.654 20 0 GDADRO CN(CCCC[NH+](C)C)C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000607033293 652786092 /nfs/dbraw/zinc/78/60/92/652786092.db2.gz OJNOPMSZCOYPQX-UHFFFAOYSA-N 1 0 398.301 1.975 20 0 GDADRO Cn1nc2c(cc1=O)C[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)CC2 ZINC000608096296 652815725 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GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000631946437 653276246 /nfs/dbraw/zinc/27/62/46/653276246.db2.gz AKYVYHGBVBSUHS-CQSZACIVSA-N 1 0 385.555 1.520 20 0 GDADRO CN(Cc1ccc(Br)cc1F)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631962053 653279893 /nfs/dbraw/zinc/27/98/93/653279893.db2.gz CLLROKYYTCATGL-UHFFFAOYSA-N 1 0 394.310 1.949 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631966778 653280471 /nfs/dbraw/zinc/28/04/71/653280471.db2.gz XLLBKTUMBIOFPF-PSASIEDQSA-N 1 0 388.291 1.016 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000631982116 653284588 /nfs/dbraw/zinc/28/45/88/653284588.db2.gz OKTIRWGWXYMKRC-ZDUSSCGKSA-N 1 0 377.457 1.738 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H](c2ccsc2)O1 ZINC000632100144 653304880 /nfs/dbraw/zinc/30/48/80/653304880.db2.gz VURHIGHAHAUBMX-NVXWUHKLSA-N 1 0 387.571 1.477 20 0 GDADRO Cn1c2ccc(S(=O)(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cc2sc1=O ZINC000632122316 653309161 /nfs/dbraw/zinc/30/91/61/653309161.db2.gz RMRALXCBMXVKMV-TZMCWYRMSA-N 1 0 381.523 1.705 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC(C)(C)COc1ncccc1Br ZINC000632127525 653309791 /nfs/dbraw/zinc/30/97/91/653309791.db2.gz WSCSIAQQISTIPQ-UHFFFAOYSA-N 1 0 394.335 1.873 20 0 GDADRO CN1CC[NH+](CC2(C)CCN(S(=O)(=O)C[C@@H]3CCC3(F)F)CC2)CC1 ZINC000632206260 653316612 /nfs/dbraw/zinc/31/66/12/653316612.db2.gz FYAMISLBUZKDIJ-HNNXBMFYSA-N 1 0 379.517 1.711 20 0 GDADRO CCS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC000632319393 653334106 /nfs/dbraw/zinc/33/41/06/653334106.db2.gz ZUMWWKIGOQAYJG-OAHLLOKOSA-N 1 0 388.555 1.947 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1Cl ZINC000632451381 653359731 /nfs/dbraw/zinc/35/97/31/653359731.db2.gz LHZDKGSCJDORJU-UHFFFAOYSA-N 1 0 389.905 1.619 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000632550199 653375722 /nfs/dbraw/zinc/37/57/22/653375722.db2.gz RUZIPYYURQPRAA-SECBINFHSA-N 1 0 390.307 1.419 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000632576007 653378407 /nfs/dbraw/zinc/37/84/07/653378407.db2.gz GVZILQSAFPDHBX-NSHDSACASA-N 1 0 384.424 1.170 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](n2cncn2)C(F)(F)F)cc1 ZINC000632645903 653393016 /nfs/dbraw/zinc/39/30/16/653393016.db2.gz XTVBJUADVXDRTK-CYBMUJFWSA-N 1 0 377.392 1.422 20 0 GDADRO O=C(COc1ccc(Br)cn1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000632891539 653413329 /nfs/dbraw/zinc/41/33/29/653413329.db2.gz JOIIEWCQQUMXSH-CQSZACIVSA-N 1 0 398.301 1.794 20 0 GDADRO O=C(Nc1cnc(N2CCOCC2)c(Br)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632942477 653416133 /nfs/dbraw/zinc/41/61/33/653416133.db2.gz JHUPCKJXVOPFRI-RYUDHWBXSA-N 1 0 382.262 1.259 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000632995498 653418431 /nfs/dbraw/zinc/41/84/31/653418431.db2.gz PNVFKXKYJRGYDJ-XLNGHYISSA-N 1 0 393.329 1.632 20 0 GDADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000633028178 653421555 /nfs/dbraw/zinc/42/15/55/653421555.db2.gz RIFVWSZNUIGETB-STQMWFEESA-N 1 0 382.258 1.748 20 0 GDADRO O=C(Nc1cccc2c(Br)ccnc12)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633031277 653422168 /nfs/dbraw/zinc/42/21/68/653422168.db2.gz TXTOBKSPBZCZHC-PHIMTYICSA-N 1 0 389.253 1.899 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000633038624 653423130 /nfs/dbraw/zinc/42/31/30/653423130.db2.gz HNLOEKHPJJXNTI-NXEZZACHSA-N 1 0 377.242 1.884 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000633099216 653427005 /nfs/dbraw/zinc/42/70/05/653427005.db2.gz RWNSBHNLANOMCG-BETUJISGSA-N 1 0 396.285 1.379 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000633115684 653429287 /nfs/dbraw/zinc/42/92/87/653429287.db2.gz LYJKPBXEMQYJGH-AAEUAGOBSA-N 1 0 384.274 1.234 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000633196172 653432055 /nfs/dbraw/zinc/43/20/55/653432055.db2.gz HMXSUWQQMWJPGQ-UHFFFAOYSA-N 1 0 383.290 1.178 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)Nc2ccc(C[NH+](C)C)cc2OC)c1 ZINC000633374737 653440932 /nfs/dbraw/zinc/44/09/32/653440932.db2.gz WMUHOZOTZZSHKQ-UHFFFAOYSA-N 1 0 383.495 1.979 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000633977773 653481046 /nfs/dbraw/zinc/48/10/46/653481046.db2.gz DZOCZUTZQUZHDF-QGZVFWFLSA-N 1 0 393.285 1.436 20 0 GDADRO C[NH+]1CCN(c2ccnc(NC(=O)c3csc(S(C)(=O)=O)c3)c2)CC1 ZINC000634193336 653488207 /nfs/dbraw/zinc/48/82/07/653488207.db2.gz GEBFGFZNEBHTCZ-UHFFFAOYSA-N 1 0 380.495 1.551 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](C[NH3+])c3ccccc32)c1 ZINC000634533199 653493797 /nfs/dbraw/zinc/49/37/97/653493797.db2.gz KBNDRCXGOONRDE-CYBMUJFWSA-N 1 0 380.491 1.731 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000634724140 653497522 /nfs/dbraw/zinc/49/75/22/653497522.db2.gz KLDYZMPNCQJUMW-NWANDNLSSA-N 1 0 386.311 1.617 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000634727481 653497751 /nfs/dbraw/zinc/49/77/51/653497751.db2.gz WGYUORWVEHKBIJ-RRFJBIMHSA-N 1 0 386.311 1.617 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2cscc2Cl)CC1 ZINC000635049322 653504880 /nfs/dbraw/zinc/50/48/80/653504880.db2.gz OPYNAVNVARLHHT-UHFFFAOYSA-N 1 0 386.905 1.399 20 0 GDADRO O=C(N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000637654412 653530951 /nfs/dbraw/zinc/53/09/51/653530951.db2.gz GJJISPFBGIOAFA-GMBUGEKQSA-N 1 0 392.297 1.548 20 0 GDADRO [NH3+]C[C@]1(C(=O)NCCNC(=O)c2ccc(Br)cc2)CCCOC1 ZINC000637940371 653532484 /nfs/dbraw/zinc/53/24/84/653532484.db2.gz AVISJOXOIFBDTC-MRXNPFEDSA-N 1 0 384.274 1.051 20 0 GDADRO NS(=O)(=O)c1ccc(CN2CC[NH+](CC3CC3)CC2)cc1Br ZINC000637942520 653532788 /nfs/dbraw/zinc/53/27/88/653532788.db2.gz YQIZFJFOUQBUNR-UHFFFAOYSA-N 1 0 388.331 1.624 20 0 GDADRO [NH3+]Cc1ncc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000637950016 653532925 /nfs/dbraw/zinc/53/29/25/653532925.db2.gz ZELOADJUHALDLM-CQSZACIVSA-N 1 0 377.242 1.912 20 0 GDADRO COC[C@]1(C(=O)NCC(=O)Nc2cc(Br)ccc2C)CCCC[NH2+]1 ZINC000637967462 653533403 /nfs/dbraw/zinc/53/34/03/653533403.db2.gz RSEPDEBGRGEACY-KRWDZBQOSA-N 1 0 398.301 1.971 20 0 GDADRO [NH3+]C[C@]1(C(=O)NCCNC(=O)c2cccc(Br)c2)CCCOC1 ZINC000637971165 653533765 /nfs/dbraw/zinc/53/37/65/653533765.db2.gz QOQFGLMUMVUANX-MRXNPFEDSA-N 1 0 384.274 1.051 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cnn4cc(Br)cnc34)CC2)C1 ZINC000638053904 653535045 /nfs/dbraw/zinc/53/50/45/653535045.db2.gz BYZGOCQFBNXQKK-INIZCTEOSA-N 1 0 393.333 1.704 20 0 GDADRO NS(=O)(=O)c1ccc(CN2CC[NH+](CC3CCOCC3)CC2)cc1Cl ZINC000638075515 653535637 /nfs/dbraw/zinc/53/56/37/653535637.db2.gz FAFDUKQESXMIGT-UHFFFAOYSA-N 1 0 387.933 1.532 20 0 GDADRO [NH3+]Cc1ncc(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)cn1 ZINC000638080465 653536019 /nfs/dbraw/zinc/53/60/19/653536019.db2.gz BWBGIRFGECAYIZ-LBPRGKRZSA-N 1 0 390.285 1.954 20 0 GDADRO O=C(CN1CC[NH2+]CC1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000638112607 653536794 /nfs/dbraw/zinc/53/67/94/653536794.db2.gz ZCWCFOJYXWWKQQ-UHFFFAOYSA-N 1 0 385.339 1.979 20 0 GDADRO Brc1cnc2c(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)cnn2c1 ZINC000638118944 653537159 /nfs/dbraw/zinc/53/71/59/653537159.db2.gz FCSNVUDHIUCGHL-ZDUSSCGKSA-N 1 0 380.290 1.646 20 0 GDADRO [NH3+]C[C@@]1(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCCOC1 ZINC000638302388 653537706 /nfs/dbraw/zinc/53/77/06/653537706.db2.gz YAWUGDTVWGGDBP-YOEHRIQHSA-N 1 0 386.279 1.970 20 0 GDADRO [NH3+]C1(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCOCC1 ZINC000638537379 653539188 /nfs/dbraw/zinc/53/91/88/653539188.db2.gz PAKZYAIVNKWNBH-AWEZNQCLSA-N 1 0 396.285 1.426 20 0 GDADRO [NH3+]C1(CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCOCC1 ZINC000638537846 653539196 /nfs/dbraw/zinc/53/91/96/653539196.db2.gz UWXPZBUSYADRRN-LBPRGKRZSA-N 1 0 386.279 1.970 20 0 GDADRO [NH3+]Cc1cccc2c1N(C(=O)c1nc3ncc(Br)cn3n1)CCC2 ZINC000638544317 653539399 /nfs/dbraw/zinc/53/93/99/653539399.db2.gz IRFDOAUXKTZWBA-UHFFFAOYSA-N 1 0 387.241 1.939 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000638552514 653539729 /nfs/dbraw/zinc/53/97/29/653539729.db2.gz OBRDYDXGWCMEDG-WPRPVWTQSA-N 1 0 385.433 1.256 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638559542 653539907 /nfs/dbraw/zinc/53/99/07/653539907.db2.gz FMBHNFQZMMOUEC-SECBINFHSA-N 1 0 380.246 1.583 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000638582129 653540742 /nfs/dbraw/zinc/54/07/42/653540742.db2.gz SQKKOGSHRUQVAK-LBPRGKRZSA-N 1 0 384.274 1.154 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C[NH2+]1 ZINC000638649903 653541746 /nfs/dbraw/zinc/54/17/46/653541746.db2.gz SKLIHDPHVWKQNS-CMPLNLGQSA-N 1 0 382.258 1.431 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2cc(F)cc(Br)c2C1 ZINC000638773064 653543320 /nfs/dbraw/zinc/54/33/20/653543320.db2.gz FPBQENLJAYXAME-HNNXBMFYSA-N 1 0 398.276 1.731 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)[C@]12CCCO2 ZINC000638773688 653543428 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1.975 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)s1 ZINC000653062549 653904685 /nfs/dbraw/zinc/90/46/85/653904685.db2.gz BYTQCPHTFCICLD-HUUCEWRRSA-N 1 0 385.555 1.925 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000653074669 653904956 /nfs/dbraw/zinc/90/49/56/653904956.db2.gz QWWUSXUVRGNUFH-INIZCTEOSA-N 1 0 398.345 1.893 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653089109 653905991 /nfs/dbraw/zinc/90/59/91/653905991.db2.gz XLVAMVZHBRFBGE-HNNXBMFYSA-N 1 0 399.333 1.193 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116795 653906590 /nfs/dbraw/zinc/90/65/90/653906590.db2.gz UIYHJTDYPVPOGQ-OLZOCXBDSA-N 1 0 381.274 1.772 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Cn3cc(Br)ccc3=O)C2)C1 ZINC000653188980 653907935 /nfs/dbraw/zinc/90/79/35/653907935.db2.gz RNMXWASDWRRLNA-CFVMTHIKSA-N 1 0 398.301 1.356 20 0 GDADRO CN1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CCC1=O 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375.311 1.806 20 0 GDADRO CO[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1ccccc1Br ZINC000655161283 653960284 /nfs/dbraw/zinc/96/02/84/653960284.db2.gz YRMGFXJGBJTVNC-DOMZBBRYSA-N 1 0 398.301 1.715 20 0 GDADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294950 653963747 /nfs/dbraw/zinc/96/37/47/653963747.db2.gz MFKFCQGUWHMDOC-YWPYICTPSA-N 1 0 385.917 1.433 20 0 GDADRO O=C(c1cnc2ccc(Br)cc2c1O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296136 653963876 /nfs/dbraw/zinc/96/38/76/653963876.db2.gz IFCUCDLODVKQRI-NWDGAFQWSA-N 1 0 392.253 1.182 20 0 GDADRO O=C(c1cc(Br)cc2cccnc21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295502 653963947 /nfs/dbraw/zinc/96/39/47/653963947.db2.gz CTNVRMCETYPQAH-UONOGXRCSA-N 1 0 376.254 1.888 20 0 GDADRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000655427617 653969230 /nfs/dbraw/zinc/96/92/30/653969230.db2.gz UGMDXFTXAMDLMS-WMLDXEAASA-N 1 0 383.539 1.407 20 0 GDADRO [NH3+]C[C@H](NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C(F)(F)F ZINC000655519241 653973715 /nfs/dbraw/zinc/97/37/15/653973715.db2.gz QOTRNWQFLZTPKC-QMMMGPOBSA-N 1 0 394.202 1.278 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)C(F)(F)F ZINC000655914566 653993794 /nfs/dbraw/zinc/99/37/94/653993794.db2.gz MIWFSTKLQSORAN-SECBINFHSA-N 1 0 384.152 1.867 20 0 GDADRO [NH3+]C[C@H](NC(=O)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1)C(F)(F)F ZINC000655925778 653994464 /nfs/dbraw/zinc/99/44/64/653994464.db2.gz AZKDZEKASNYARU-BDAKNGLRSA-N 1 0 378.317 1.366 20 0 GDADRO [NH3+]C[C@H](NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)C(F)(F)F ZINC000655928396 653994822 /nfs/dbraw/zinc/99/48/22/653994822.db2.gz RTMBCKCRXJHKJP-ZJUUUORDSA-N 1 0 388.159 1.810 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655956861 653995988 /nfs/dbraw/zinc/99/59/88/653995988.db2.gz GXXXYIKIWHOQDC-MRVPVSSYSA-N 1 0 395.794 1.746 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2cccc(Br)c2C)CC[C@H]1[NH3+] ZINC000656024726 654000334 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CO[C@H](CS(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000656912171 654070562 /nfs/dbraw/zinc/07/05/62/654070562.db2.gz OKTXLAGEEYIVMO-QZTJIDSGSA-N 1 0 376.563 1.738 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656960861 654078547 /nfs/dbraw/zinc/07/85/47/654078547.db2.gz BQWBRBCVGVWTTH-UHFFFAOYSA-N 1 0 385.711 1.695 20 0 GDADRO CO[C@H](CS(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000656966489 654080131 /nfs/dbraw/zinc/08/01/31/654080131.db2.gz SDUOCIDFWOBMKS-IAGOWNOFSA-N 1 0 376.563 1.954 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000657032772 654103870 /nfs/dbraw/zinc/10/38/70/654103870.db2.gz DVBDCPXWLAEDFK-ZDUSSCGKSA-N 1 0 386.539 1.415 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)[NH+](C)C ZINC000657091894 654108475 /nfs/dbraw/zinc/10/84/75/654108475.db2.gz RGBYCLOEEJVRMF-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000657459067 654149976 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COC[C@]1(CNS(=O)(=O)Cc2cc(F)ccc2Br)CCC[NH2+]1 ZINC000658379183 654187166 /nfs/dbraw/zinc/18/71/66/654187166.db2.gz ICLPMCWHXCDAPA-CQSZACIVSA-N 1 0 395.294 1.776 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CCCO1 ZINC000658382428 654188048 /nfs/dbraw/zinc/18/80/48/654188048.db2.gz IJCIDJDBIMKOKN-LLVKDONJSA-N 1 0 383.695 1.841 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000658386767 654188463 /nfs/dbraw/zinc/18/84/63/654188463.db2.gz CETXIRBNEFBFCF-OAHLLOKOSA-N 1 0 386.539 1.490 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC[C@H]1F ZINC000658407988 654191118 /nfs/dbraw/zinc/19/11/18/654191118.db2.gz HUSUDCCWCWTQPU-MRVWCRGKSA-N 1 0 392.880 1.815 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000659114086 654215742 /nfs/dbraw/zinc/21/57/42/654215742.db2.gz SFFVPCKJPCZXMD-LLVKDONJSA-N 1 0 394.273 1.357 20 0 GDADRO O=C(NCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1ccc(Br)cn1 ZINC000659335032 654223155 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C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000662620762 654298459 /nfs/dbraw/zinc/29/84/59/654298459.db2.gz BAXWQAIJUGKZOW-MLGOLLRUSA-N 1 0 383.290 1.598 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000662751549 654301535 /nfs/dbraw/zinc/30/15/35/654301535.db2.gz KESOPSLEPZMKMW-SJORKVTESA-N 1 0 396.329 1.894 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000662822993 654303956 /nfs/dbraw/zinc/30/39/56/654303956.db2.gz QXBLLBQNULBDMG-NEPJUHHUSA-N 1 0 395.301 1.762 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662840410 654304869 /nfs/dbraw/zinc/30/48/69/654304869.db2.gz BCFJMUAAHGVDHJ-GFCCVEGCSA-N 1 0 393.289 1.739 20 0 GDADRO C[C@]1(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC[NH2+]C1 ZINC000663011950 654318469 /nfs/dbraw/zinc/31/84/69/654318469.db2.gz RKWQPANGKXWZPD-AWEZNQCLSA-N 1 0 375.288 1.232 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663014578 654318721 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CCC[NH+]1CCC(N(C)S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000773346592 654590725 /nfs/dbraw/zinc/59/07/25/654590725.db2.gz IPQQZZYTRVTPTD-UHFFFAOYSA-N 1 0 375.535 1.742 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000674607890 654605110 /nfs/dbraw/zinc/60/51/10/654605110.db2.gz FLCXGHYIXKBPLK-NXEZZACHSA-N 1 0 378.420 1.940 20 0 GDADRO C[NH+](C)CCCN(C(=O)CNc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000675145055 654609535 /nfs/dbraw/zinc/60/95/35/654609535.db2.gz ZMLWXJBVHOWAHZ-CQSZACIVSA-N 1 0 387.933 1.719 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000774255727 654619987 /nfs/dbraw/zinc/61/99/87/654619987.db2.gz NOKHPOJNFFMZQN-UHFFFAOYSA-N 1 0 378.230 1.136 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnc(Br)cc2C)C1 ZINC000774281028 654622075 /nfs/dbraw/zinc/62/20/75/654622075.db2.gz AOUQXIQFUDUQPP-GFCCVEGCSA-N 1 0 383.290 1.891 20 0 GDADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)cc1 ZINC000675747246 654623832 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385.917 1.947 20 0 GDADRO C[C@@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)[C@H]1CNC(=O)OC(C)(C)C ZINC000747969866 654797193 /nfs/dbraw/zinc/79/71/93/654797193.db2.gz TVKNOJWYXXEIMD-CABCVRRESA-N 1 0 377.551 1.893 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+]CCc2nnc3n2CCCCC3)ccc1Cl ZINC000685325257 654817207 /nfs/dbraw/zinc/81/72/07/654817207.db2.gz PIDYJNFHXANTTD-UHFFFAOYSA-N 1 0 383.905 1.638 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000685636780 654824191 /nfs/dbraw/zinc/82/41/91/654824191.db2.gz BLIKTLAQRQNCCF-JTQLQIEISA-N 1 0 380.297 1.482 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(CNC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000782210759 654826270 /nfs/dbraw/zinc/82/62/70/654826270.db2.gz WVLQBZMKUYEDOA-UHFFFAOYSA-N 1 0 386.587 1.489 20 0 GDADRO CC[N@H+](CCNC(=O)c1ccc(-n2cc(Br)cn2)nn1)C1CC1 ZINC000749375949 654831053 /nfs/dbraw/zinc/83/10/53/654831053.db2.gz GTSBHMOFUIVPQF-UHFFFAOYSA-N 1 0 379.262 1.639 20 0 GDADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC[N@@H+]1C ZINC000749398403 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CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cn(C)nc2Br)CC1=O ZINC000829110822 654891111 /nfs/dbraw/zinc/89/11/11/654891111.db2.gz GAEREMJXAFXVAZ-NEPJUHHUSA-N 1 0 398.305 1.454 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000829299202 654896239 /nfs/dbraw/zinc/89/62/39/654896239.db2.gz IORXEHVQAWFTHC-UHFFFAOYSA-N 1 0 378.217 1.712 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000751504938 654896935 /nfs/dbraw/zinc/89/69/35/654896935.db2.gz GMGVLHSLFBBWLR-NEPJUHHUSA-N 1 0 387.889 1.626 20 0 GDADRO Cc1cc([C@@H]([NH3+])CC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc(Cl)n1 ZINC000829420407 654898807 /nfs/dbraw/zinc/89/88/07/654898807.db2.gz ZROPESIYMHTVCS-QWRGUYRKSA-N 1 0 378.782 1.713 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)C1 ZINC000829455618 654900648 /nfs/dbraw/zinc/90/06/48/654900648.db2.gz CQMNISIJMVRSCP-CYBMUJFWSA-N 1 0 385.917 1.942 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000800921616 654900812 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CC1(C[NH2+]CCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CC1 ZINC000785508503 654919043 /nfs/dbraw/zinc/91/90/43/654919043.db2.gz REFLPSACWVMSIZ-UHFFFAOYSA-N 1 0 376.500 1.181 20 0 GDADRO O=C1OCCN1C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000830092837 654929954 /nfs/dbraw/zinc/92/99/54/654929954.db2.gz OKQXZGBIPFWRCU-DZGCQCFKSA-N 1 0 399.285 1.963 20 0 GDADRO O=C1OCCN1C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000830093003 654930124 /nfs/dbraw/zinc/93/01/24/654930124.db2.gz OKQXZGBIPFWRCU-ZFWWWQNUSA-N 1 0 399.285 1.963 20 0 GDADRO CC(C)([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCOCC1 ZINC000786156464 654934703 /nfs/dbraw/zinc/93/47/03/654934703.db2.gz LTFNEAKHFCGDQG-UHFFFAOYSA-N 1 0 389.905 1.721 20 0 GDADRO CCNS(=O)(=O)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000802138201 654939235 /nfs/dbraw/zinc/93/92/35/654939235.db2.gz BGENNIXDEBIOFP-AWEZNQCLSA-N 1 0 376.910 1.181 20 0 GDADRO Cc1c(Br)cc(C(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)c(=O)n1C ZINC000802142417 654939362 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[NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)C1CC1 ZINC000841181640 655312593 /nfs/dbraw/zinc/31/25/93/655312593.db2.gz ATEADHDDXVZNDO-AWEZNQCLSA-N 1 0 382.917 1.685 20 0 GDADRO O=C(Nc1cccc(Br)n1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000841188472 655312967 /nfs/dbraw/zinc/31/29/67/655312967.db2.gz AYYSVZXNJMYEBJ-GFCCVEGCSA-N 1 0 396.289 1.520 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000841197763 655313309 /nfs/dbraw/zinc/31/33/09/655313309.db2.gz MRVULYGIGDUEPH-GFCCVEGCSA-N 1 0 381.274 1.773 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c(Br)n1 ZINC000841201273 655313771 /nfs/dbraw/zinc/31/37/71/655313771.db2.gz HHKMZXBWISLVLC-UHFFFAOYSA-N 1 0 381.274 1.693 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cnc(Cl)c1Br ZINC000841204203 655314042 /nfs/dbraw/zinc/31/40/42/655314042.db2.gz YFNDNECIINCWLN-MRVPVSSYSA-N 1 0 375.654 1.598 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000841235003 655316325 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CC(C)OCC[C@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000819056007 655384235 /nfs/dbraw/zinc/38/42/35/655384235.db2.gz UYKXSBPIVOXSBW-ZDUSSCGKSA-N 1 0 376.441 1.314 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]C[C@H](O)Cc2ccccc2)CC1)C(F)(F)F ZINC000819055462 655384266 /nfs/dbraw/zinc/38/42/66/655384266.db2.gz QRWUHZPFLWBCBN-OAHLLOKOSA-N 1 0 380.432 1.741 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000819062751 655384455 /nfs/dbraw/zinc/38/44/55/655384455.db2.gz JCFLRZUJKOSPPK-CQSZACIVSA-N 1 0 384.395 1.852 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2)s1 ZINC000842922727 655384749 /nfs/dbraw/zinc/38/47/49/655384749.db2.gz SWUBZPURQGQYSD-UHFFFAOYSA-N 1 0 383.495 1.584 20 0 GDADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)CCN1C1CCOCC1 ZINC000819129358 655386756 /nfs/dbraw/zinc/38/67/56/655386756.db2.gz HGXDEZDWOXGIMQ-CVEARBPZSA-N 1 0 383.286 1.852 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCN1C1CCOCC1 ZINC000819129361 655386792 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CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000850857804 655570226 /nfs/dbraw/zinc/57/02/26/655570226.db2.gz HKQMWOHWTBETBL-SNVBAGLBSA-N 1 0 377.670 1.926 20 0 GDADRO COCC1(CNC(=O)N2CCn3ncc(Br)c3C2)CC[NH2+]CC1 ZINC000851665828 655590240 /nfs/dbraw/zinc/59/02/40/655590240.db2.gz DUCIOGIJSFBLAZ-UHFFFAOYSA-N 1 0 386.294 1.187 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000851682154 655590519 /nfs/dbraw/zinc/59/05/19/655590519.db2.gz SKZHLNMBGJIBPC-LBPRGKRZSA-N 1 0 386.239 1.481 20 0 GDADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NCCC2SCCS2)CC1 ZINC000851691429 655590586 /nfs/dbraw/zinc/59/05/86/655590586.db2.gz IHYWTWLAWVGGNK-HIFRSBDPSA-N 1 0 387.571 1.044 20 0 GDADRO CC(C)N1CC[NH+](C2CCN(CCn3cnc(Br)n3)CC2)CC1 ZINC000851879578 655601826 /nfs/dbraw/zinc/60/18/26/655601826.db2.gz KZEDBOLRPHXQJS-UHFFFAOYSA-N 1 0 385.354 1.531 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)CCSC1 ZINC000852182913 655609616 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O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCn2c(Br)cnc2C1 ZINC000852886961 655625258 /nfs/dbraw/zinc/62/52/58/655625258.db2.gz AOEFXBZGMFXISQ-LLVKDONJSA-N 1 0 394.277 1.208 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)Nc2nc3cc(I)ccc3[nH]2)=NO1 ZINC000852917218 655628287 /nfs/dbraw/zinc/62/82/87/655628287.db2.gz YHCUSFRWDJCBPM-ZETCQYMHSA-N 1 0 385.165 1.210 20 0 GDADRO C[NH+]1CCC(CNc2ncnc(F)c2Br)(N2CCOCC2)CC1 ZINC000853688809 655647419 /nfs/dbraw/zinc/64/74/19/655647419.db2.gz HSDYHHIHBFBDBX-UHFFFAOYSA-N 1 0 388.285 1.587 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncnc2c1c(Br)nn2C ZINC000853773376 655649784 /nfs/dbraw/zinc/64/97/84/655649784.db2.gz BWDRTHCMGWTDDH-NSHDSACASA-N 1 0 384.326 1.810 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCC[S@](=O)CC(F)(F)F)o1 ZINC000854307541 655661704 /nfs/dbraw/zinc/66/17/04/655661704.db2.gz OULKRCDGHPNDAY-VWLOTQADSA-N 1 0 383.436 1.972 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1csc(I)n1 ZINC000854488575 655668108 /nfs/dbraw/zinc/66/81/08/655668108.db2.gz GRQXBEGEZLWKEZ-UHFFFAOYSA-N 1 0 396.298 1.361 20 0 GDADRO CCN(C(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000855363971 655692626 /nfs/dbraw/zinc/69/26/26/655692626.db2.gz WXPOXIDKMSNYAG-QWHCGFSZSA-N 1 0 388.921 1.345 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)c1cccn2c(I)cnc12 ZINC000855638541 655698605 /nfs/dbraw/zinc/69/86/05/655698605.db2.gz KWMHJSRYYNWBPY-UHFFFAOYSA-N 1 0 384.221 1.573 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855695372 655699653 /nfs/dbraw/zinc/69/96/53/655699653.db2.gz LLEOFCAAFNIKCE-HNNXBMFYSA-N 1 0 376.284 1.505 20 0 GDADRO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000856409999 655712908 /nfs/dbraw/zinc/71/29/08/655712908.db2.gz GAXCOXZFSHHRRR-LSDHHAIUSA-N 1 0 390.571 1.009 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000856785919 655719156 /nfs/dbraw/zinc/71/91/56/655719156.db2.gz CGOIZJWAJKLGGY-HUUCEWRRSA-N 1 0 377.399 1.830 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)sc1Br ZINC000857008445 655725319 /nfs/dbraw/zinc/72/53/19/655725319.db2.gz JMYZUJRQEVHXPH-JVXZTZIISA-N 1 0 394.316 1.111 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857118021 655728166 /nfs/dbraw/zinc/72/81/66/655728166.db2.gz AGSHGWSFOIEQPG-LLVKDONJSA-N 1 0 387.278 1.016 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1cc(Br)cnc1Cl ZINC000858225786 655746072 /nfs/dbraw/zinc/74/60/72/655746072.db2.gz JLVVRCIFOUCJPB-LBPRGKRZSA-N 1 0 375.698 1.927 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1)C(F)(F)F ZINC000858613706 655750376 /nfs/dbraw/zinc/75/03/76/655750376.db2.gz QVJKCFSWSJYNTH-GXFFZTMASA-N 1 0 377.388 1.560 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000858615632 655750469 /nfs/dbraw/zinc/75/04/69/655750469.db2.gz IUSMOIVGGGWYRR-KGLIPLIRSA-N 1 0 385.873 1.286 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1Cl ZINC000858622479 655750850 /nfs/dbraw/zinc/75/08/50/655750850.db2.gz FBUZLQQXXKCMSQ-UHFFFAOYSA-N 1 0 377.850 1.305 20 0 GDADRO [NH3+]CC1(NS(=O)(=O)/C=C\c2ccccc2Br)CCOCC1 ZINC000858629956 655751403 /nfs/dbraw/zinc/75/14/03/655751403.db2.gz FWCQRIRRUWHOPS-YHYXMXQVSA-N 1 0 375.288 1.847 20 0 GDADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000858640030 655751798 /nfs/dbraw/zinc/75/17/98/655751798.db2.gz LUSYTAPIIGZUAZ-SECBINFHSA-N 1 0 398.312 1.428 20 0 GDADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000858640069 655751825 /nfs/dbraw/zinc/75/18/25/655751825.db2.gz HKCJCRYAIILKKX-YFKPBYRVSA-N 1 0 398.666 1.917 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc1Br ZINC000858640321 655751835 /nfs/dbraw/zinc/75/18/35/655751835.db2.gz LXMRMFQDTWUWIT-SECBINFHSA-N 1 0 378.292 1.684 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)C[C@H](C)[NH3+])c(F)cc1Br ZINC000858642261 655751894 /nfs/dbraw/zinc/75/18/94/655751894.db2.gz JKTUHUBRJVCMBX-ZETCQYMHSA-N 1 0 383.239 1.343 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000859194893 655768951 /nfs/dbraw/zinc/76/89/51/655768951.db2.gz QLPOMFSFDUGVAS-LBPRGKRZSA-N 1 0 379.404 1.902 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000859693585 655788959 /nfs/dbraw/zinc/78/89/59/655788959.db2.gz FHAYHSHXBXIHCJ-NSHDSACASA-N 1 0 385.310 1.407 20 0 GDADRO C[C@@H]([NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccns1 ZINC000860054448 655794260 /nfs/dbraw/zinc/79/42/60/655794260.db2.gz KTBLHYYCFJOXSX-GFCCVEGCSA-N 1 0 382.511 1.190 20 0 GDADRO CC(C)S(=O)(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000860050555 655794286 /nfs/dbraw/zinc/79/42/86/655794286.db2.gz XWOZODKCJFYJOP-DGAVXFQQSA-N 1 0 382.448 1.541 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC000860612607 655804253 /nfs/dbraw/zinc/80/42/53/655804253.db2.gz CUPOJQHOJJSMSC-UHFFFAOYSA-N 1 0 377.242 1.901 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000861034290 655812695 /nfs/dbraw/zinc/81/26/95/655812695.db2.gz NXJNYZOSKJSOFJ-LBPRGKRZSA-N 1 0 376.500 1.266 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000861517414 655824265 /nfs/dbraw/zinc/82/42/65/655824265.db2.gz JIQZXWVJFWRTKD-UHFFFAOYSA-N 1 0 382.511 1.651 20 0 GDADRO Cc1nc(Cl)ccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000861515716 655824299 /nfs/dbraw/zinc/82/42/99/655824299.db2.gz KSPOUQBIODLRFS-NXEZZACHSA-N 1 0 378.782 1.968 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C[NH2+]1 ZINC000861524942 655824618 /nfs/dbraw/zinc/82/46/18/655824618.db2.gz JVEORIWKEQFQHQ-JGVFFNPUSA-N 1 0 375.654 1.693 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000861650005 655827475 /nfs/dbraw/zinc/82/74/75/655827475.db2.gz XDQXRXMIUIVWPP-BDAKNGLRSA-N 1 0 399.357 1.132 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1(Br)Br ZINC000861714379 655828859 /nfs/dbraw/zinc/82/88/59/655828859.db2.gz ACLDBQPLQSDZSM-HOSYDEDBSA-N 1 0 396.123 1.550 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCC2SCCS2)CC[C@H]1C(F)(F)F ZINC000861786396 655830646 /nfs/dbraw/zinc/83/06/46/655830646.db2.gz JRQAPQCYDRYSEK-VHSXEESVSA-N 1 0 385.477 1.285 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861830529 655831574 /nfs/dbraw/zinc/83/15/74/655831574.db2.gz XUYYWOKOKXIZHV-UHFFFAOYSA-N 1 0 379.404 1.931 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cccnc1Br ZINC000862091705 655838371 /nfs/dbraw/zinc/83/83/71/655838371.db2.gz MPIMRQOYFPPIRQ-GFCCVEGCSA-N 1 0 381.274 1.916 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862278125 655843837 /nfs/dbraw/zinc/84/38/37/655843837.db2.gz DCCJCOMSMVJJTI-KGLIPLIRSA-N 1 0 378.535 1.814 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862277001 655843888 /nfs/dbraw/zinc/84/38/88/655843888.db2.gz LDEOVNPLVXUJFQ-GFCCVEGCSA-N 1 0 385.477 1.549 20 0 GDADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]CC2(CS(C)(=O)=O)CC2)COC1(C)C ZINC000862285217 655843917 /nfs/dbraw/zinc/84/39/17/655843917.db2.gz PZJKNBUMWHKGAA-CYBMUJFWSA-N 1 0 376.519 1.773 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000863507492 655874646 /nfs/dbraw/zinc/87/46/46/655874646.db2.gz YXRJEPPYIVXEJR-AWEZNQCLSA-N 1 0 385.917 1.949 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000863771870 655880510 /nfs/dbraw/zinc/88/05/10/655880510.db2.gz DQPKWYVMTKVYJC-OUCADQQQSA-N 1 0 382.302 1.959 20 0 GDADRO Cn1ncc(I)c1C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000864052968 655888066 /nfs/dbraw/zinc/88/80/66/655888066.db2.gz CLTLKXQOEMNIMT-UHFFFAOYSA-N 1 0 390.269 1.763 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000864085870 655889939 /nfs/dbraw/zinc/88/99/39/655889939.db2.gz AUNXFZAMGZVAFZ-VIFPVBQESA-N 1 0 376.242 1.533 20 0 GDADRO C[NH+]1CCN(CCNC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000864658617 655903856 /nfs/dbraw/zinc/90/38/56/655903856.db2.gz KJHYJCNPSYVQSN-GVDBMIGSSA-N 1 0 378.314 1.698 20 0 GDADRO CC(C)n1ncc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1Br ZINC000864838136 655906681 /nfs/dbraw/zinc/90/66/81/655906681.db2.gz XJYMVFLXSBBQJN-UHFFFAOYSA-N 1 0 386.294 1.073 20 0 GDADRO CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000865008944 655910056 /nfs/dbraw/zinc/91/00/56/655910056.db2.gz QFXWGHMMORGGNO-ZBFHGGJFSA-N 1 0 380.286 1.979 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(I)nn2C)C1 ZINC000865033220 655910487 /nfs/dbraw/zinc/91/04/87/655910487.db2.gz JMLCNCRFZVHWLH-SNVBAGLBSA-N 1 0 376.242 1.485 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000865039951 655910634 /nfs/dbraw/zinc/91/06/34/655910634.db2.gz HFBNTZXCXAEYDL-HNNXBMFYSA-N 1 0 398.301 1.324 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000865060030 655911129 /nfs/dbraw/zinc/91/11/29/655911129.db2.gz OLHZWNNLSWLBKR-NSHDSACASA-N 1 0 388.253 1.725 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865413757 655919365 /nfs/dbraw/zinc/91/93/65/655919365.db2.gz 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/nfs/dbraw/zinc/93/64/62/655936462.db2.gz PWNPKEQJIXOGTP-UHFFFAOYSA-N 1 0 390.221 1.183 20 0 GDADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000866453205 655944210 /nfs/dbraw/zinc/94/42/10/655944210.db2.gz JLCSQZDWZQSMPH-UHFFFAOYSA-N 1 0 379.324 1.676 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)[NH+]1CCCC1 ZINC000866490048 655946655 /nfs/dbraw/zinc/94/66/55/655946655.db2.gz FORRMYYMXYVAQF-LLVKDONJSA-N 1 0 379.404 1.950 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1Br ZINC000866490802 655946781 /nfs/dbraw/zinc/94/67/81/655946781.db2.gz FBAHQPBRAFEQEN-LBPRGKRZSA-N 1 0 393.351 1.971 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cnn(C)c1Br)[N@@H+]1CCCC[C@H]1C ZINC000866492589 655947088 /nfs/dbraw/zinc/94/70/88/655947088.db2.gz QJVBFKGJLCGDMI-GHMZBOCLSA-N 1 0 379.324 1.724 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cnn(C)c1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000866497314 655947364 /nfs/dbraw/zinc/94/73/64/655947364.db2.gz FEKXNNGFWZZOEJ-GHMZBOCLSA-N 1 0 379.324 1.581 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(I)nn2C)C1 ZINC000866514248 655948052 /nfs/dbraw/zinc/94/80/52/655948052.db2.gz WLNPOAIGOHKFLO-NSHDSACASA-N 1 0 390.269 1.732 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000866574561 655950178 /nfs/dbraw/zinc/95/01/78/655950178.db2.gz XCUQBFARCZHUCV-CYBMUJFWSA-N 1 0 389.949 1.981 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2cc(Br)ccc2F)C1 ZINC000866709824 655955761 /nfs/dbraw/zinc/95/57/61/655955761.db2.gz MEBMTTCCYCYJAJ-YUELXQCFSA-N 1 0 384.249 1.955 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2cc(F)ccc2Br)C1 ZINC000866709186 655955771 /nfs/dbraw/zinc/95/57/71/655955771.db2.gz ISGWXILCYYUBKU-CFVMTHIKSA-N 1 0 384.249 1.955 20 0 GDADRO Cn1cc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)c(Br)n1 ZINC000866764301 655960243 /nfs/dbraw/zinc/96/02/43/655960243.db2.gz RYYXRRKWXSOAAR-UHFFFAOYSA-N 1 0 387.303 1.375 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3Cl)C2)nn1 ZINC000866770703 655961410 /nfs/dbraw/zinc/96/14/10/655961410.db2.gz CDHQHXTYUMMUAG-AWEZNQCLSA-N 1 0 387.868 1.696 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1Br ZINC000866776204 655962038 /nfs/dbraw/zinc/96/20/38/655962038.db2.gz VSYZANCNQYRASW-LBPRGKRZSA-N 1 0 391.335 1.583 20 0 GDADRO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000866796299 655964534 /nfs/dbraw/zinc/96/45/34/655964534.db2.gz BYNZRZPCSHRMRV-NSHDSACASA-N 1 0 378.491 1.286 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c(Br)cc1F ZINC000866795051 655964551 /nfs/dbraw/zinc/96/45/51/655964551.db2.gz YZAYOYVBFRNHTH-YUMQZZPRSA-N 1 0 395.250 1.485 20 0 GDADRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000866802662 655965341 /nfs/dbraw/zinc/96/53/41/655965341.db2.gz ICXNRZMMBRHARB-UHFFFAOYSA-N 1 0 379.404 1.950 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000866809155 655966095 /nfs/dbraw/zinc/96/60/95/655966095.db2.gz GOOXLCIQXNMWPR-UBSAEIQESA-N 1 0 385.917 1.851 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866824320 655967290 /nfs/dbraw/zinc/96/72/90/655967290.db2.gz LWVSRYIVOMAWRM-GHMZBOCLSA-N 1 0 398.428 1.495 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866824322 655967350 /nfs/dbraw/zinc/96/73/50/655967350.db2.gz LWVSRYIVOMAWRM-QWRGUYRKSA-N 1 0 398.428 1.495 20 0 GDADRO COCCC1(NS(=O)(=O)c2cscc2Br)CC[NH2+]CC1 ZINC000866825324 655967461 /nfs/dbraw/zinc/96/74/61/655967461.db2.gz LNARHWLWZZZBGR-UHFFFAOYSA-N 1 0 383.333 1.948 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866827785 655967704 /nfs/dbraw/zinc/96/77/04/655967704.db2.gz SMHYACKBCFZYLA-STQMWFEESA-N 1 0 375.288 1.973 20 0 GDADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000866864107 655971698 /nfs/dbraw/zinc/97/16/98/655971698.db2.gz UCSVLKGYHNKPMY-HIFRSBDPSA-N 1 0 375.535 1.598 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1Br ZINC000866880995 655972994 /nfs/dbraw/zinc/97/29/94/655972994.db2.gz WZNBBTFGAZROPC-LBPRGKRZSA-N 1 0 391.335 1.679 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2F)C1 ZINC000866903912 655975581 /nfs/dbraw/zinc/97/55/81/655975581.db2.gz GUJIXCLVXWYAIF-GFCCVEGCSA-N 1 0 379.885 1.996 20 0 GDADRO C[C@H](NS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1)C(C)(C)C[NH+](C)C ZINC000866942043 655979796 /nfs/dbraw/zinc/97/97/96/655979796.db2.gz NYJMAKZXGKNLGE-ZDUSSCGKSA-N 1 0 377.551 1.749 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1nc[nH]c1Br ZINC000866946894 655980512 /nfs/dbraw/zinc/98/05/12/655980512.db2.gz GDACSRKXYUUOQL-UHFFFAOYSA-N 1 0 377.264 1.518 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1nc[nH]c1Br ZINC000866995875 655985544 /nfs/dbraw/zinc/98/55/44/655985544.db2.gz LXGBSPKWBDMIMW-OUAUKWLOSA-N 1 0 393.307 1.044 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c(Br)n1 ZINC000867061498 655992633 /nfs/dbraw/zinc/99/26/33/655992633.db2.gz XZIZOYOXNCCLBW-UHFFFAOYSA-N 1 0 379.324 1.535 20 0 GDADRO C[C@H](NS(=O)(=O)N=S1(=O)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867067477 655993130 /nfs/dbraw/zinc/99/31/30/655993130.db2.gz LCWQBMXRSNQXHW-DOTOQJQBSA-N 1 0 385.555 1.993 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000867078782 655993878 /nfs/dbraw/zinc/99/38/78/655993878.db2.gz QGRQMOZQKYPHLC-UPCLLVRISA-N 1 0 389.543 1.095 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000867078783 655993934 /nfs/dbraw/zinc/99/39/34/655993934.db2.gz QGRQMOZQKYPHLC-VOIUYBSRSA-N 1 0 389.543 1.095 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N1CCC(C)(CN2CC[NH+](C)CC2)CC1 ZINC000867100475 655995044 /nfs/dbraw/zinc/99/50/44/655995044.db2.gz AVJDWDNVVNJDFC-UHFFFAOYSA-N 1 0 394.607 1.089 20 0 GDADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2nc[nH]c2Br)cc1 ZINC000867162726 656005128 /nfs/dbraw/zinc/00/51/28/656005128.db2.gz RTJLEOZASIQQPN-UHFFFAOYSA-N 1 0 387.303 1.755 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000867227991 656017606 /nfs/dbraw/zinc/01/76/06/656017606.db2.gz GEUORJUYSINJCQ-HNNXBMFYSA-N 1 0 377.551 1.895 20 0 GDADRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000867307563 656035016 /nfs/dbraw/zinc/03/50/16/656035016.db2.gz BCWFWWIMPXNWTM-ZFWWWQNUSA-N 1 0 375.535 1.740 20 0 GDADRO Cn1cc(S(=O)(=O)NCCCCC[NH+]2CCCC2)c(Br)n1 ZINC000867309679 656035681 /nfs/dbraw/zinc/03/56/81/656035681.db2.gz JINAFSWMALOOIT-UHFFFAOYSA-N 1 0 379.324 1.727 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867334681 656040474 /nfs/dbraw/zinc/04/04/74/656040474.db2.gz FPXTUOHCUWPZHW-DGCLKSJQSA-N 1 0 384.274 1.553 20 0 GDADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1nc(C)n(C)c1Br ZINC000867348542 656042609 /nfs/dbraw/zinc/04/26/09/656042609.db2.gz HGDDRNNVYMBFCU-UHFFFAOYSA-N 1 0 379.324 1.596 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)C(=O)NCCSCCC(F)(F)F)CC1 ZINC000867391804 656051308 /nfs/dbraw/zinc/05/13/08/656051308.db2.gz LFPDGFUAMJGNMP-UHFFFAOYSA-N 1 0 383.480 1.979 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(I)nn2C)C1 ZINC000867458035 656064747 /nfs/dbraw/zinc/06/47/47/656064747.db2.gz IQAYXDSAJRVAGA-JTQLQIEISA-N 1 0 376.242 1.627 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1nc[nH]c1Br ZINC000867581909 656088136 /nfs/dbraw/zinc/08/81/36/656088136.db2.gz QNZQASFNIQGZCU-UHFFFAOYSA-N 1 0 395.323 1.151 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867799447 656117995 /nfs/dbraw/zinc/11/79/95/656117995.db2.gz LWFURMIPGKZIRB-XJKSGUPXSA-N 1 0 394.313 1.926 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)cn3)CC[C@@H]21 ZINC000867799098 656118057 /nfs/dbraw/zinc/11/80/57/656118057.db2.gz JHZBUJNJEPLOJS-RISCZKNCSA-N 1 0 381.274 1.013 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000867864861 656127226 /nfs/dbraw/zinc/12/72/26/656127226.db2.gz MCIJOQGPQWPECD-UHFFFAOYSA-N 1 0 389.543 1.918 20 0 GDADRO CO[C@H](CS(=O)(=O)N(CC(C)C)CC1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000867863800 656127270 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GDADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2OC)CC1 ZINC000868246768 656145986 /nfs/dbraw/zinc/14/59/86/656145986.db2.gz WWOVJNMLLISNHL-UHFFFAOYSA-N 1 0 384.274 1.854 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000868250710 656146513 /nfs/dbraw/zinc/14/65/13/656146513.db2.gz HWBJLOPFZFCGMH-JQWIXIFHSA-N 1 0 382.258 1.607 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(Br)ncc1Br ZINC000868345448 656151428 /nfs/dbraw/zinc/15/14/28/656151428.db2.gz IQAMGZPLJKEHGJ-SSDOTTSWSA-N 1 0 381.068 1.259 20 0 GDADRO C[C@H]1C[C@H](NC(=O)NCc2c(I)cnn2C)CC[N@@H+]1C ZINC000868373946 656152643 /nfs/dbraw/zinc/15/26/43/656152643.db2.gz LWAAKQMKSAVLLW-VHSXEESVSA-N 1 0 391.257 1.307 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868422134 656155087 /nfs/dbraw/zinc/15/50/87/656155087.db2.gz QMLLUBHLOCBBPL-NWDGAFQWSA-N 1 0 386.315 1.822 20 0 GDADRO C[C@@H]1CN(C(=O)Cn2ccc(Br)cc2=O)CC[N@@H+](C2CCC2)C1 ZINC000868529225 656159604 /nfs/dbraw/zinc/15/96/04/656159604.db2.gz 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ZINC000870942737 656257331 /nfs/dbraw/zinc/25/73/31/656257331.db2.gz TYPWIEDFVXXLLE-VHSXEESVSA-N 1 0 376.242 1.939 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000870943650 656257540 /nfs/dbraw/zinc/25/75/40/656257540.db2.gz RJUFYIMCGGPDKR-SOUVJXGZSA-N 1 0 386.265 1.785 20 0 GDADRO O=C(c1cc(Br)cs1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871000956 656259808 /nfs/dbraw/zinc/25/98/08/656259808.db2.gz ORHMUIOTSQSQNS-MXWKQRLJSA-N 1 0 386.271 1.518 20 0 GDADRO Cn1ncc(I)c1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000871020607 656260477 /nfs/dbraw/zinc/26/04/77/656260477.db2.gz YWHIJHCTFBFIHV-FGWVZKOKSA-N 1 0 388.253 1.562 20 0 GDADRO Cn1ncc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1C(F)(F)F ZINC000871812999 656281710 /nfs/dbraw/zinc/28/17/10/656281710.db2.gz MXRQRHFVAPAGCA-RQJHMYQMSA-N 1 0 380.314 1.197 20 0 GDADRO COC(=O)c1c(C)cccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871814039 656282507 /nfs/dbraw/zinc/28/25/07/656282507.db2.gz 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CS(=O)(=O)c1cccc(NC(=O)CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000872148084 656318573 /nfs/dbraw/zinc/31/85/73/656318573.db2.gz HRELDNAPCYUCOZ-GWCFXTLKSA-N 1 0 379.404 1.098 20 0 GDADRO CCN(CCc1cccs1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872188223 656319595 /nfs/dbraw/zinc/31/95/95/656319595.db2.gz ROXXEHAHJDPILL-DGCLKSJQSA-N 1 0 377.432 1.735 20 0 GDADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]C[C@@H](O)c2ccc(Br)cc2)C1=O ZINC000872202701 656319808 /nfs/dbraw/zinc/31/98/08/656319808.db2.gz OBKBSCRSPRZZEC-SUYBPPKGSA-N 1 0 396.285 1.793 20 0 GDADRO CC(C)(O)C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000872216047 656319947 /nfs/dbraw/zinc/31/99/47/656319947.db2.gz MVZRNHKIZYIFNC-QWHCGFSZSA-N 1 0 378.282 1.851 20 0 GDADRO O=C(CC[NH2+]C[C@]12COC(=O)N1CCOC2)Nc1ccc(Br)cc1 ZINC000872228855 656320485 /nfs/dbraw/zinc/32/04/85/656320485.db2.gz MHKFGPYYFUHDNE-INIZCTEOSA-N 1 0 398.257 1.589 20 0 GDADRO O=C1OC[C@]2(C[NH2+]C[C@@H](O)COc3cc(Cl)ccc3Cl)COCCN12 ZINC000872229636 656320514 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[NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000873103062 656386431 /nfs/dbraw/zinc/38/64/31/656386431.db2.gz CDPGFKOMBVQZKB-KCJUWKMLSA-N 1 0 394.191 1.983 20 0 GDADRO Cn1cc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc(Br)c1=O ZINC000873313128 656390428 /nfs/dbraw/zinc/39/04/28/656390428.db2.gz XNDYOMIZWCGWOT-APPZFPTMSA-N 1 0 397.195 1.749 20 0 GDADRO CS(=O)(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1F ZINC000873329466 656390522 /nfs/dbraw/zinc/39/05/22/656390522.db2.gz VSJPDRQKXWCBAP-SCZZXKLOSA-N 1 0 383.367 1.830 20 0 GDADRO CCn1ncc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)c1Br ZINC000873526774 656395565 /nfs/dbraw/zinc/39/55/65/656395565.db2.gz ZNXKSGZQSLPKGV-JTQLQIEISA-N 1 0 395.261 1.864 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2OC)CC1 ZINC000873653867 656400987 /nfs/dbraw/zinc/40/09/87/656400987.db2.gz ICQDBDNDQPWXHC-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)cc1OC ZINC000873717963 656406620 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Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ncc1Br ZINC000874173834 656448432 /nfs/dbraw/zinc/44/84/32/656448432.db2.gz ITRRPAZDVLYIJI-DGCLKSJQSA-N 1 0 381.274 1.644 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](C)CCOCCO)c1ccc(Br)s1 ZINC000922118951 656457901 /nfs/dbraw/zinc/45/79/01/656457901.db2.gz GHDYNRKTLWMCEW-NSHDSACASA-N 1 0 379.320 1.671 20 0 GDADRO C[N@H+](CCNC(=O)C1(c2ccc(Br)cc2)CCC1)CCOCCO ZINC000922124749 656458742 /nfs/dbraw/zinc/45/87/42/656458742.db2.gz ZWIWEKYKRVCULQ-UHFFFAOYSA-N 1 0 399.329 1.928 20 0 GDADRO C[N@H+](CCNC(=O)c1cc(Br)ccc1C1CC1)CCOCCO ZINC000922127624 656458794 /nfs/dbraw/zinc/45/87/94/656458794.db2.gz PIOSEJPBZXPQJJ-UHFFFAOYSA-N 1 0 385.302 1.997 20 0 GDADRO Cn1cc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c(I)n1 ZINC000922165519 656460420 /nfs/dbraw/zinc/46/04/20/656460420.db2.gz IOZPOTBFKXDQGX-UHFFFAOYSA-N 1 0 388.253 1.725 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000874366783 656465583 /nfs/dbraw/zinc/46/55/83/656465583.db2.gz IXUYTCCUWMUYMT-STQMWFEESA-N 1 0 381.274 1.786 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cnc1Br ZINC000874369559 656465935 /nfs/dbraw/zinc/46/59/35/656465935.db2.gz TVZQNORWIKSCLX-OLZOCXBDSA-N 1 0 381.274 1.786 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2csc(Br)n2)CC1 ZINC000874469037 656473690 /nfs/dbraw/zinc/47/36/90/656473690.db2.gz YWHHPSDAVSHFEB-LLVKDONJSA-N 1 0 375.336 1.909 20 0 GDADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000874846635 656490831 /nfs/dbraw/zinc/49/08/31/656490831.db2.gz JSDNWWZKXSHFIN-HOTGVXAUSA-N 1 0 385.917 1.704 20 0 GDADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000874849944 656491257 /nfs/dbraw/zinc/49/12/57/656491257.db2.gz MFAUYNYNXGZXIN-GJZGRUSLSA-N 1 0 380.286 1.874 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3ccccc3Br)CC[C@H]21 ZINC000875035254 656503046 /nfs/dbraw/zinc/50/30/46/656503046.db2.gz SYDPNNDTPJADQW-DZGCQCFKSA-N 1 0 380.286 1.618 20 0 GDADRO 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[NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2nc(Br)sc2Cl)C1 ZINC000876517157 656610936 /nfs/dbraw/zinc/61/09/36/656610936.db2.gz JWFRZMJWYAXLQN-ZETCQYMHSA-N 1 0 395.710 1.486 20 0 GDADRO O=C(NCc1ncc(Br)s1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000923945976 656611843 /nfs/dbraw/zinc/61/18/43/656611843.db2.gz MHDNPSYUENOZDG-LLVKDONJSA-N 1 0 389.319 1.958 20 0 GDADRO COC[C@]1(C(=O)N(C)Cc2cc(Br)ccc2OC)C[NH2+]CCO1 ZINC000876554505 656613538 /nfs/dbraw/zinc/61/35/38/656613538.db2.gz BMAQGXWZPKHKBK-INIZCTEOSA-N 1 0 387.274 1.421 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)s1 ZINC000876570372 656615226 /nfs/dbraw/zinc/61/52/26/656615226.db2.gz BBPMPHSHOULFDO-RCQQVGEISA-N 1 0 385.555 1.951 20 0 GDADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCNC(=O)c1cccc(Br)c1 ZINC000876637398 656620250 /nfs/dbraw/zinc/62/02/50/656620250.db2.gz NFDLQCDNXWKPQZ-FMFIFOJESA-N 1 0 380.286 1.851 20 0 GDADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCNC(=O)c1cccc(Br)c1 ZINC000876637399 656620447 /nfs/dbraw/zinc/62/04/47/656620447.db2.gz 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ZINC000876889886 656637190 /nfs/dbraw/zinc/63/71/90/656637190.db2.gz TWEDMWIVLYJYSU-KEYYUXOJSA-N 1 0 380.286 1.966 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000876895973 656637552 /nfs/dbraw/zinc/63/75/52/656637552.db2.gz QUOFWVDUPXUOPR-UHFFFAOYSA-N 1 0 388.555 1.632 20 0 GDADRO C[C@H]1CN(C(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)CCN1S(C)(=O)=O ZINC000876904371 656638599 /nfs/dbraw/zinc/63/85/99/656638599.db2.gz BXJDQKZQOHZLOD-GXFFZTMASA-N 1 0 379.404 1.198 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cc(Br)cnc3F)C2)nn1 ZINC000876918615 656639629 /nfs/dbraw/zinc/63/96/29/656639629.db2.gz MGDRGHMRIMXXBL-NSHDSACASA-N 1 0 383.225 1.511 20 0 GDADRO Nc1cc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc(Br)n1 ZINC000876918223 656639840 /nfs/dbraw/zinc/63/98/40/656639840.db2.gz IOMQDWAXESTKPP-WFASDCNBSA-N 1 0 383.290 1.785 20 0 GDADRO COC[C@]1(C(=O)N2CCc3sc(Br)cc3C2)C[NH2+]CCO1 ZINC000876970586 656643458 /nfs/dbraw/zinc/64/34/58/656643458.db2.gz VJFFONUOFWLOKV-AWEZNQCLSA-N 1 0 375.288 1.400 20 0 GDADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876975820 656643633 /nfs/dbraw/zinc/64/36/33/656643633.db2.gz DHEQJPYWHWDHDO-WBVHZDCISA-N 1 0 385.302 1.891 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)s1 ZINC000876982832 656644260 /nfs/dbraw/zinc/64/42/60/656644260.db2.gz OYJMBFHSJLSZDS-UHFFFAOYSA-N 1 0 394.584 1.693 20 0 GDADRO O=C(/C=C/c1ccc(Br)o1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876994586 656644838 /nfs/dbraw/zinc/64/48/38/656644838.db2.gz KGRGEGBWQASZLM-DUXPYHPUSA-N 1 0 397.273 1.225 20 0 GDADRO O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NC[C@@H]1COCC[NH2+]1 ZINC000877040093 656648724 /nfs/dbraw/zinc/64/87/24/656648724.db2.gz UBIHVUZTNVCTCM-GFCCVEGCSA-N 1 0 380.495 1.033 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[NH2+]1 ZINC000877052957 656650582 /nfs/dbraw/zinc/65/05/82/656650582.db2.gz YYWLZVHNQXMZQB-KOLCDFICSA-N 1 0 375.288 1.723 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000877111871 656653514 /nfs/dbraw/zinc/65/35/14/656653514.db2.gz MWFVYFKZUKRETL-BLLLJJGKSA-N 1 0 385.917 1.995 20 0 GDADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877128426 656655306 /nfs/dbraw/zinc/65/53/06/656655306.db2.gz BDRMSNHPSFLESC-HUUCEWRRSA-N 1 0 391.295 1.960 20 0 GDADRO C[NH+](C)C[C@H]1NC(=O)N(CCCNC(=O)c2ccc(Br)cc2)C1=O ZINC000924560323 656659798 /nfs/dbraw/zinc/65/97/98/656659798.db2.gz ACFJKJJUBZYZQK-CYBMUJFWSA-N 1 0 397.273 1.051 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000877243973 656660269 /nfs/dbraw/zinc/66/02/69/656660269.db2.gz SCRWSNBQYBVZBS-BPLDGKMQSA-N 1 0 380.286 1.794 20 0 GDADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Br)cn2ccnc12 ZINC000877327026 656667351 /nfs/dbraw/zinc/66/73/51/656667351.db2.gz LAYSFHJMIZXKQR-CYBMUJFWSA-N 1 0 393.285 1.985 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)C[C@@H]1C(F)(F)F ZINC000877355833 656669034 /nfs/dbraw/zinc/66/90/34/656669034.db2.gz JVOACDUQPOMBQW-UWVGGRQHSA-N 1 0 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Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000883466642 657288039 /nfs/dbraw/zinc/28/80/39/657288039.db2.gz RXRTXBTVWCWNKV-VIFPVBQESA-N 1 0 383.695 1.759 20 0 GDADRO [NH3+][C@H]1CCN(S(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)C1 ZINC000883465325 657288175 /nfs/dbraw/zinc/28/81/75/657288175.db2.gz MDJBCCBGJWJCTQ-JTQLQIEISA-N 1 0 388.287 1.446 20 0 GDADRO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Br)c2)C[C@H]1CS(N)(=O)=O ZINC000933698840 657297891 /nfs/dbraw/zinc/29/78/91/657297891.db2.gz HQAHDJKBOOYTFI-SCDSUCTJSA-N 1 0 377.304 1.339 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000883592535 657299674 /nfs/dbraw/zinc/29/96/74/657299674.db2.gz KYVGFIVCQYZDLA-DTWKUNHWSA-N 1 0 383.246 1.981 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000883592400 657299693 /nfs/dbraw/zinc/29/96/93/657299693.db2.gz HAUWPWBBWHSWLH-VIFPVBQESA-N 1 0 383.246 1.983 20 0 GDADRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Br)C[C@H]1CS(N)(=O)=O ZINC000933702917 657300182 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COCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000884119449 657327142 /nfs/dbraw/zinc/32/71/42/657327142.db2.gz MMFGKXUPSKIWAU-CQSZACIVSA-N 1 0 398.301 1.990 20 0 GDADRO CCN1C(=S)N=NC1CCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884128483 657328293 /nfs/dbraw/zinc/32/82/93/657328293.db2.gz FOAMFXHQCLRDOK-GFCCVEGCSA-N 1 0 384.303 1.708 20 0 GDADRO CN1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@H+](C)CC1 ZINC000933999207 657332483 /nfs/dbraw/zinc/33/24/83/657332483.db2.gz WLQPXVZSEHSYBO-HNNXBMFYSA-N 1 0 376.328 1.912 20 0 GDADRO N[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000884230421 657337411 /nfs/dbraw/zinc/33/74/11/657337411.db2.gz RFCPBXRDNALIHC-BBRMVZONSA-N 1 0 382.302 1.630 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cs1)C(N)=O ZINC000884290677 657343132 /nfs/dbraw/zinc/34/31/32/657343132.db2.gz GUEMQFOSKJUBBD-DGCLKSJQSA-N 1 0 382.555 1.500 20 0 GDADRO COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)CC2 ZINC000884327627 657346682 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GDADRO [NH3+][C@@H](C(=O)NCCN1C[C@H]2CCCCN2C1=O)c1ccc(Br)cc1 ZINC000884414194 657354571 /nfs/dbraw/zinc/35/45/71/657354571.db2.gz MJRNTJRCYLOKNV-HUUCEWRRSA-N 1 0 395.301 1.855 20 0 GDADRO CC1(C)CC[C@@H](CNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)[NH2+]C1 ZINC000884455917 657358649 /nfs/dbraw/zinc/35/86/49/657358649.db2.gz WSOFLACBFFXDRO-OLZOCXBDSA-N 1 0 385.555 1.482 20 0 GDADRO CC(C)([NH3+])CCNC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000884485556 657360557 /nfs/dbraw/zinc/36/05/57/657360557.db2.gz BEHPNYFCBKSPTO-UHFFFAOYSA-N 1 0 376.682 1.962 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)NCc1ccc(F)c(Cl)c1)C2 ZINC000884500291 657361380 /nfs/dbraw/zinc/36/13/80/657361380.db2.gz BTAWFVSFORGUIJ-UHFFFAOYSA-N 1 0 382.848 1.595 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000884511580 657362165 /nfs/dbraw/zinc/36/21/65/657362165.db2.gz LDWQQDYINQTJAV-KWCYVHTRSA-N 1 0 395.301 1.092 20 0 GDADRO CCN(C(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21)[C@H]1CC[NH2+]C1 ZINC000884533492 657363324 /nfs/dbraw/zinc/36/33/24/657363324.db2.gz JUWOKRSLRDOMNM-AAEUAGOBSA-N 1 0 398.326 1.923 20 0 GDADRO C[C@](CO)([NH2+]C[C@H](O)CC1(O)CCOCC1)c1cccc(Br)c1 ZINC000934494530 657363535 /nfs/dbraw/zinc/36/35/35/657363535.db2.gz KABREIXAZKIXSK-HZPDHXFCSA-N 1 0 388.302 1.539 20 0 GDADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934498698 657364806 /nfs/dbraw/zinc/36/48/06/657364806.db2.gz CXUFDBWKAXWBDO-MRXNPFEDSA-N 1 0 386.290 1.728 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000884621396 657367344 /nfs/dbraw/zinc/36/73/44/657367344.db2.gz HLQGVTHXVICNBM-DMDPSCGWSA-N 1 0 384.274 1.281 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000884628308 657368232 /nfs/dbraw/zinc/36/82/32/657368232.db2.gz UVEAPJKHRLOTKG-BNOWGMLFSA-N 1 0 395.301 1.092 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884659723 657369440 /nfs/dbraw/zinc/36/94/40/657369440.db2.gz BOZCTXCSIGUFSP-RTXFEEFZSA-N 1 0 396.285 1.598 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000884685735 657371183 /nfs/dbraw/zinc/37/11/83/657371183.db2.gz ONFNWHUYEHFSOT-LSDHHAIUSA-N 1 0 394.313 1.983 20 0 GDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Br)cn2ncnc12 ZINC000934726008 657372038 /nfs/dbraw/zinc/37/20/38/657372038.db2.gz PIXGQVQEPHEXHJ-CYBMUJFWSA-N 1 0 394.273 1.475 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1sccc1Br)C1CCCC1 ZINC000884709973 657374532 /nfs/dbraw/zinc/37/45/32/657374532.db2.gz UZMQWAQPCFNKFC-LBPRGKRZSA-N 1 0 388.331 1.803 20 0 GDADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)c1C ZINC000934778988 657375621 /nfs/dbraw/zinc/37/56/21/657375621.db2.gz PIPIPBJOIFSVQK-DYVFJYSZSA-N 1 0 383.539 1.574 20 0 GDADRO C[C@]1(CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@]1(F)Cl ZINC000884742877 657376878 /nfs/dbraw/zinc/37/68/78/657376878.db2.gz VGBZOGYEDVWOAK-ISTRZQFTSA-N 1 0 375.872 1.082 20 0 GDADRO OC[C@@H]([NH2+]CC1(O)CCOCC1)c1ccccc1I ZINC000934825100 657379194 /nfs/dbraw/zinc/37/91/94/657379194.db2.gz BBCMHZWJJUYMHL-CYBMUJFWSA-N 1 0 377.222 1.456 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)NCCOCCC[NH3+])C2 ZINC000884819071 657380689 /nfs/dbraw/zinc/38/06/89/657380689.db2.gz AXRFYFDQPZSIHY-UHFFFAOYSA-N 1 0 398.301 1.124 20 0 GDADRO O=S1(=O)CC[C@H](C[NH2+][C@H](CO)c2ccccc2I)C1 ZINC000934829216 657382227 /nfs/dbraw/zinc/38/22/27/657382227.db2.gz ZUXDWKGOPBJGJL-ZWNOBZJWSA-N 1 0 395.262 1.349 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)cn2ncnc12 ZINC000934953940 657387495 /nfs/dbraw/zinc/38/74/95/657387495.db2.gz MBZWMXGJTRIFBM-CYBMUJFWSA-N 1 0 396.289 1.459 20 0 GDADRO CC[NH+]1CCN(Cc2ccc(CNS(=O)(=O)c3ccns3)cc2)CC1 ZINC000884940888 657388955 /nfs/dbraw/zinc/38/89/55/657388955.db2.gz RQYZCQLSRWAVTD-UHFFFAOYSA-N 1 0 380.539 1.759 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000884976802 657394990 /nfs/dbraw/zinc/39/49/90/657394990.db2.gz ATJOKHXKBUCVJJ-SNVBAGLBSA-N 1 0 379.766 1.161 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@](C)(O)c1ccc(F)c(Br)c1 ZINC000935052611 657395466 /nfs/dbraw/zinc/39/54/66/657395466.db2.gz NWFLGIJWQRGAJL-LSDHHAIUSA-N 1 0 377.254 1.225 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935053058 657396249 /nfs/dbraw/zinc/39/62/49/657396249.db2.gz YRQAVPHPEBVDMH-WBMJQRKESA-N 1 0 384.274 1.304 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C1 ZINC000884990506 657397404 /nfs/dbraw/zinc/39/74/04/657397404.db2.gz HGQCYZFQEQBKEO-VHSXEESVSA-N 1 0 375.803 1.753 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000885023932 657407360 /nfs/dbraw/zinc/40/73/60/657407360.db2.gz MGHLGIIGRJLPGM-UHFFFAOYSA-N 1 0 383.290 1.308 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(=O)[nH]cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000935153639 657407465 /nfs/dbraw/zinc/40/74/65/657407465.db2.gz BEGYMZHVHWXICS-WFASDCNBSA-N 1 0 397.317 1.648 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)C(=O)NCc3ncc(Cl)s3)C2)C1 ZINC000885108067 657420704 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1.644 20 0 GDADRO CN(Cc1ccc(F)cc1Cl)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885283812 657439191 /nfs/dbraw/zinc/43/91/91/657439191.db2.gz ALOZXDQGEIPQCV-NSHDSACASA-N 1 0 377.794 1.799 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccnc1OCC(F)F ZINC000885459804 657474668 /nfs/dbraw/zinc/47/46/68/657474668.db2.gz PBWPQZPTNSJATJ-OLZOCXBDSA-N 1 0 375.441 1.973 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C(=O)c2c(C)[nH]nc2Br)CC1 ZINC000935768322 657481383 /nfs/dbraw/zinc/48/13/83/657481383.db2.gz WHHFJNBHNIXOOT-UHFFFAOYSA-N 1 0 380.246 1.847 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4nc(Cl)cs4)[C@@H]3C2)CC[N@@H+]1C ZINC000974874271 657592635 /nfs/dbraw/zinc/59/26/35/657592635.db2.gz FGFPKOYGXJKZFS-FDYHWXHSSA-N 1 0 382.917 1.810 20 0 GDADRO Cc1sc(Cl)nc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC000996538736 657625969 /nfs/dbraw/zinc/62/59/69/657625969.db2.gz NZXSXYQRAFTWSE-RNJOBUHISA-N 1 0 382.917 1.918 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncc(Cl)s2)C1 ZINC001000475218 657671288 /nfs/dbraw/zinc/67/12/88/657671288.db2.gz FPPWUWPHIZCBJX-NDBYEHHHSA-N 1 0 382.917 2.000 20 0 GDADRO C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000886736784 657686850 /nfs/dbraw/zinc/68/68/50/657686850.db2.gz JZMZKOPNXMGSNC-UONOGXRCSA-N 1 0 375.535 1.788 20 0 GDADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886736628 657686867 /nfs/dbraw/zinc/68/68/67/657686867.db2.gz GDIFPCPKLOIUDU-KGLIPLIRSA-N 1 0 375.535 1.646 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCN2CCNC2=O)ccc1S(=O)(=O)C(F)F ZINC000886742578 657688894 /nfs/dbraw/zinc/68/88/94/657688894.db2.gz DXLCJPHRZQHVLR-JTQLQIEISA-N 1 0 377.413 1.367 20 0 GDADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1Cl)C2)C1CC1 ZINC001002856791 657694221 /nfs/dbraw/zinc/69/42/21/657694221.db2.gz DJJSJRRQYAUEOJ-NDBYEHHHSA-N 1 0 382.917 1.998 20 0 GDADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(OCCOC)c(Br)c1 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375.445 1.342 20 0 GDADRO CNS(=O)(=O)c1cc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1F ZINC000886953116 657729540 /nfs/dbraw/zinc/72/95/40/657729540.db2.gz ULZDFOXUJKEUGB-VIFPVBQESA-N 1 0 380.392 1.100 20 0 GDADRO CCN(C(=O)C(=O)Nc1cnc(Cl)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000887004307 657735224 /nfs/dbraw/zinc/73/52/24/657735224.db2.gz LBXKLVQNXXPXNK-SECBINFHSA-N 1 0 375.654 1.646 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001020423189 657739455 /nfs/dbraw/zinc/73/94/55/657739455.db2.gz UQHPYHNTGGHEAI-WCBJTDJXSA-N 1 0 377.312 1.859 20 0 GDADRO CNC(=O)C1([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCOCC1 ZINC000887082831 657753378 /nfs/dbraw/zinc/75/33/78/657753378.db2.gz HBOWNMUIXMOYPW-LLVKDONJSA-N 1 0 377.268 1.618 20 0 GDADRO COc1ncc(Br)cc1Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887446568 657783454 /nfs/dbraw/zinc/78/34/54/657783454.db2.gz FRLVNFBEIMTCEG-ZDUSSCGKSA-N 1 0 381.278 1.416 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3csc(I)n3)C[C@]2(C)C1 ZINC000887925268 657849821 /nfs/dbraw/zinc/84/98/21/657849821.db2.gz HHXVUCCINQPUNY-PELKAZGASA-N 1 0 377.251 1.771 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)C[C@]2(C)C1 ZINC000887936635 657850011 /nfs/dbraw/zinc/85/00/11/657850011.db2.gz REDMZSHLMIPELR-DYVFJYSZSA-N 1 0 383.539 1.556 20 0 GDADRO Cn1ncc(Br)c1CC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000889085446 657974637 /nfs/dbraw/zinc/97/46/37/657974637.db2.gz QPALJKNMOIUVLD-UHFFFAOYSA-N 1 0 394.273 1.524 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cn(C)nc3Br)CC2)CC1 ZINC000889641014 658011801 /nfs/dbraw/zinc/01/18/01/658011801.db2.gz LDQDIQNZJSEJAI-UHFFFAOYSA-N 1 0 398.349 1.813 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889755843 658032391 /nfs/dbraw/zinc/03/23/91/658032391.db2.gz KTVRSCAQZVSQEQ-ZIAGYGMSSA-N 1 0 384.274 1.529 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889769822 658035504 /nfs/dbraw/zinc/03/55/04/658035504.db2.gz NLPOVAGVVRNGFV-CABCVRRESA-N 1 0 397.317 1.581 20 0 GDADRO CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000890067086 658078347 /nfs/dbraw/zinc/07/83/47/658078347.db2.gz HLWRMICSJIOJPT-QWHCGFSZSA-N 1 0 386.290 1.582 20 0 GDADRO CC1(C)CC[N@H+](CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000890078416 658079125 /nfs/dbraw/zinc/07/91/25/658079125.db2.gz FUHJLELYJCZFOT-CQSZACIVSA-N 1 0 385.555 1.749 20 0 GDADRO CN(C)[S@](C)(=O)=NCC1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000891147846 658196737 /nfs/dbraw/zinc/19/67/37/658196737.db2.gz HCHHUVGEPNSQII-OYLFLEFRSA-N 1 0 376.592 1.237 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCCS(=O)(=O)c2ccccc2)C[C@H]1C(F)(F)F ZINC000891433614 658239804 /nfs/dbraw/zinc/23/98/04/658239804.db2.gz NOEFYZFKBQCSSY-DGCLKSJQSA-N 1 0 379.404 1.239 20 0 GDADRO O=C(NCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)c1cccc(Br)c1 ZINC000891472184 658242712 /nfs/dbraw/zinc/24/27/12/658242712.db2.gz MZPHNCZELIOMNA-HUUCEWRRSA-N 1 0 395.301 1.715 20 0 GDADRO C[C@]1(Br)C[C@H]1C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000891588310 658253082 /nfs/dbraw/zinc/25/30/82/658253082.db2.gz XEZGJDXPEFBRHZ-WFASDCNBSA-N 1 0 388.331 1.630 20 0 GDADRO CCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000891707818 658267122 /nfs/dbraw/zinc/26/71/22/658267122.db2.gz LMGGNSRINWJPPD-SNVBAGLBSA-N 1 0 380.923 1.073 20 0 GDADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ncc(Br)cc1O ZINC000891796000 658274284 /nfs/dbraw/zinc/27/42/84/658274284.db2.gz HGIOOYCXHNNHGA-ZDUSSCGKSA-N 1 0 377.279 1.784 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000891857851 658278131 /nfs/dbraw/zinc/27/81/31/658278131.db2.gz HBWARJZOAGQGKI-SUHUHFCYSA-N 1 0 381.274 1.591 20 0 GDADRO CCN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CC[NH2+]C1 ZINC000891859039 658278251 /nfs/dbraw/zinc/27/82/51/658278251.db2.gz ZOOMGRCDUHQZOH-GJZGRUSLSA-N 1 0 395.301 1.948 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000892322402 658318020 /nfs/dbraw/zinc/31/80/20/658318020.db2.gz LNHWKSBRBJDDQJ-NUEKZKHPSA-N 1 0 382.302 1.965 20 0 GDADRO Cc1ncc(I)c(N[C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC000892401263 658323788 /nfs/dbraw/zinc/32/37/88/658323788.db2.gz CRPCZPLRXAAIRU-JTQLQIEISA-N 1 0 375.258 1.437 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)C1 ZINC000892553705 658332660 /nfs/dbraw/zinc/33/26/60/658332660.db2.gz STDYNPTYCBWTIY-GDLCADMTSA-N 1 0 381.274 1.369 20 0 GDADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000892550848 658332678 /nfs/dbraw/zinc/33/26/78/658332678.db2.gz AHMAKIABEOAKQD-JRPNMDOOSA-N 1 0 386.290 1.870 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)C12CCOCC2 ZINC000892930573 658360884 /nfs/dbraw/zinc/36/08/84/658360884.db2.gz SBYWAGCUIFKAIN-KBPBESRZSA-N 1 0 376.519 1.473 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000893019009 658368649 /nfs/dbraw/zinc/36/86/49/658368649.db2.gz IHVPNUDYDGVJMX-WCQYABFASA-N 1 0 394.273 1.243 20 0 GDADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000894021103 658493326 /nfs/dbraw/zinc/49/33/26/658493326.db2.gz CJXJULATCVFQLM-HUUCEWRRSA-N 1 0 378.510 1.802 20 0 GDADRO CS(=O)(=O)C1CC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000894076064 658503137 /nfs/dbraw/zinc/50/31/37/658503137.db2.gz LZONNDKDKMWARW-UXUKBGGZSA-N 1 0 387.299 1.720 20 0 GDADRO CC(C)[C@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000894146044 658511248 /nfs/dbraw/zinc/51/12/48/658511248.db2.gz QMSJUOSWZJNWLC-YLQAJVPDSA-N 1 0 398.349 1.970 20 0 GDADRO C[C@@H]1C[NH+](CCCNCc2c(I)cnn2C)C[C@@H](C)O1 ZINC000894159379 658513225 /nfs/dbraw/zinc/51/32/25/658513225.db2.gz AOSWUGPHHQWFKL-VXGBXAGGSA-N 1 0 392.285 1.614 20 0 GDADRO CC(C)[C@H](C[NH2+]Cc1c(I)cnn1C)N1CCOCC1 ZINC000894160724 658514192 /nfs/dbraw/zinc/51/41/92/658514192.db2.gz NMSIKDDQPKEFDN-ZDUSSCGKSA-N 1 0 392.285 1.471 20 0 GDADRO COC(=O)c1cc(C[NH2+]CCS(=O)(=O)N2CCSCC2)[nH]c1C(C)C ZINC000894233415 658524869 /nfs/dbraw/zinc/52/48/69/658524869.db2.gz HARKOTULPXXOPR-UHFFFAOYSA-N 1 0 389.543 1.393 20 0 GDADRO CC(C)(C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)NS(C)(=O)=O ZINC000894228373 658525167 /nfs/dbraw/zinc/52/51/67/658525167.db2.gz BOIRQKBLQNKFFW-UHFFFAOYSA-N 1 0 382.939 1.051 20 0 GDADRO C[C@@H](C[NH2+]Cc1cn(C)nc1I)CN1CCOCC1 ZINC000894288035 658532978 /nfs/dbraw/zinc/53/29/78/658532978.db2.gz ODONKVLLQXSKHK-NSHDSACASA-N 1 0 378.258 1.083 20 0 GDADRO Cn1cc(CNC[C@]2([NH+](C)C)CCSC2)c(I)n1 ZINC000894321018 658537966 /nfs/dbraw/zinc/53/79/66/658537966.db2.gz UIUCEBUMJCRTII-GFCCVEGCSA-N 1 0 380.299 1.552 20 0 GDADRO Cn1nc(Br)nc1CNc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000894402088 658552458 /nfs/dbraw/zinc/55/24/58/658552458.db2.gz GNNKWMZWGYGNOS-UHFFFAOYSA-N 1 0 395.261 1.659 20 0 GDADRO Cn1nc(Br)nc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000894549424 658578090 /nfs/dbraw/zinc/57/80/90/658578090.db2.gz AQNUGPXCEBWDIJ-JTQLQIEISA-N 1 0 375.217 1.797 20 0 GDADRO COC(=O)[C@@H]1[C@H](C[NH2+][C@H](C)CCNS(=O)(=O)c2ccccc2)C1(F)F ZINC000894686668 658597591 /nfs/dbraw/zinc/59/75/91/658597591.db2.gz 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C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903291143 659312228 /nfs/dbraw/zinc/31/22/28/659312228.db2.gz PVKQJMBULFHFPR-AWEZNQCLSA-N 1 0 389.543 1.013 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)c1F ZINC000903509922 659320932 /nfs/dbraw/zinc/32/09/32/659320932.db2.gz DGTAZQDGPMOWHO-SECBINFHSA-N 1 0 381.267 1.956 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N(C)C2CC[NH2+]CC2)c1F ZINC000903510846 659321383 /nfs/dbraw/zinc/32/13/83/659321383.db2.gz MIUOKLROIVBLGU-UHFFFAOYSA-N 1 0 381.267 1.969 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000903514033 659323322 /nfs/dbraw/zinc/32/33/22/659323322.db2.gz ZNWWWDFXQRWPNC-VIFPVBQESA-N 1 0 381.267 1.969 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c1F ZINC000903518886 659326269 /nfs/dbraw/zinc/32/62/69/659326269.db2.gz OVKMCLYZNREXFT-SNVBAGLBSA-N 1 0 381.267 1.955 20 0 GDADRO [NH3+][C@@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C(F)(F)F ZINC000903519486 659326859 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COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903554000 659339339 /nfs/dbraw/zinc/33/93/39/659339339.db2.gz GONVLWBUEXFNTN-LLVKDONJSA-N 1 0 381.267 1.873 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 ZINC000903555316 659339786 /nfs/dbraw/zinc/33/97/86/659339786.db2.gz JBUPXXTYSWSNFH-KRWDZBQOSA-N 1 0 386.539 1.178 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1Br ZINC000903554723 659340028 /nfs/dbraw/zinc/34/00/28/659340028.db2.gz VSERAZKYIHLGEK-CYBMUJFWSA-N 1 0 393.303 1.743 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(I)c1 ZINC000903560489 659340797 /nfs/dbraw/zinc/34/07/97/659340797.db2.gz GOTQSUCNAGSAES-MVWJERBFSA-N 1 0 378.235 1.462 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)NC[C@H]2CCCCC[NH2+]2)c1)C(F)(F)F ZINC000903565532 659342923 /nfs/dbraw/zinc/34/29/23/659342923.db2.gz ZTAHGEFZJNLVQH-GFCCVEGCSA-N 1 0 379.404 1.998 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000903565955 659343496 /nfs/dbraw/zinc/34/34/96/659343496.db2.gz VLKVIPGYJSIKTQ-UHFFFAOYSA-N 1 0 380.283 1.290 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1C ZINC000903578259 659349140 /nfs/dbraw/zinc/34/91/40/659349140.db2.gz DSXDMLJRPGPUCL-OLZOCXBDSA-N 1 0 380.388 1.682 20 0 GDADRO COC(=O)c1c(F)cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903578614 659349551 /nfs/dbraw/zinc/34/95/51/659349551.db2.gz INQOPJLEFQEKBC-WPRPVWTQSA-N 1 0 384.351 1.513 20 0 GDADRO COC(=O)c1c(C)cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903578968 659349792 /nfs/dbraw/zinc/34/97/92/659349792.db2.gz KZAIYVLAPZEUKR-MNOVXSKESA-N 1 0 380.388 1.682 20 0 GDADRO Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)cc12 ZINC000903579707 659350490 /nfs/dbraw/zinc/35/04/90/659350490.db2.gz PDGADAHOBHTUKB-RYUDHWBXSA-N 1 0 377.392 1.177 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)s1 ZINC000903580134 659351128 /nfs/dbraw/zinc/35/11/28/659351128.db2.gz SGSLRZQEEVMASQ-QWRGUYRKSA-N 1 0 385.433 1.284 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1C(F)(F)F ZINC000903581200 659351804 /nfs/dbraw/zinc/35/18/04/659351804.db2.gz AQGLQCWXAXJHLT-NKWVEPMBSA-N 1 0 380.314 1.339 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCc2ccc(Br)c(F)c2C1 ZINC000903587324 659354922 /nfs/dbraw/zinc/35/49/22/659354922.db2.gz SCYMYTRYZPRFHR-NSHDSACASA-N 1 0 393.278 1.265 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1OC ZINC000903587572 659355083 /nfs/dbraw/zinc/35/50/83/659355083.db2.gz XDVXVHQPXTUSNL-GFCCVEGCSA-N 1 0 376.862 1.493 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CC[NH2+]C)C(C)C)cc1 ZINC000903590482 659356290 /nfs/dbraw/zinc/35/62/90/659356290.db2.gz XYBHAQLXPKNIQK-UHFFFAOYSA-N 1 0 391.559 1.847 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903593324 659357074 /nfs/dbraw/zinc/35/70/74/659357074.db2.gz ZBHNZLJAFWTXCA-QMTHXVAHSA-N 1 0 375.288 1.960 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593501 659357248 /nfs/dbraw/zinc/35/72/48/659357248.db2.gz NYOSOBRQFFMTEN-HNNXBMFYSA-N 1 0 392.930 1.401 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCc3cc(CC[NH3+])ccc32)c(Br)n1 ZINC000903598817 659359170 /nfs/dbraw/zinc/35/91/70/659359170.db2.gz FHFYQMAHVRWBSM-UHFFFAOYSA-N 1 0 399.314 1.825 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c1OC ZINC000903610162 659361526 /nfs/dbraw/zinc/36/15/26/659361526.db2.gz YBZKQWZOLPLMSB-QFYYESIMSA-N 1 0 388.873 1.556 20 0 GDADRO CO[C@H](C)CS(=O)(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1 ZINC000903652621 659368604 /nfs/dbraw/zinc/36/86/04/659368604.db2.gz NKHFKOIINZRMBG-GFCCVEGCSA-N 1 0 384.527 1.825 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903736894 659378352 /nfs/dbraw/zinc/37/83/52/659378352.db2.gz HRGFDMYWTVBBCS-CQSZACIVSA-N 1 0 382.302 1.646 20 0 GDADRO COCC[NH2+]C1CCN(CCS(=O)(=O)c2nc3ccccc3s2)CC1 ZINC000903765402 659379395 /nfs/dbraw/zinc/37/93/95/659379395.db2.gz ZMIXEKNEWOGMLP-UHFFFAOYSA-N 1 0 383.539 1.770 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)CC[C@H]1C(F)(F)F ZINC000903787026 659380499 /nfs/dbraw/zinc/38/04/99/659380499.db2.gz HKLVWQJJGQUSIN-HLTSFMKQSA-N 1 0 393.353 1.231 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903801562 659381833 /nfs/dbraw/zinc/38/18/33/659381833.db2.gz PIESOZFWFQTHJG-SMDDNHRTSA-N 1 0 381.274 1.315 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000903875159 659386016 /nfs/dbraw/zinc/38/60/16/659386016.db2.gz CQKABUXJUXEPTM-ZDUSSCGKSA-N 1 0 377.304 1.143 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@]1(F)CCS(=O)(=O)C1 ZINC000903957250 659389873 /nfs/dbraw/zinc/38/98/73/659389873.db2.gz KPOWGKXIJINHNG-INIZCTEOSA-N 1 0 376.519 1.945 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3cccc(Br)c3)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904088345 659394970 /nfs/dbraw/zinc/39/49/70/659394970.db2.gz VOWZQHNSRJDTCZ-CYZMBNFOSA-N 1 0 398.282 1.674 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(OC)c(OC)cc1Br ZINC000904309211 659398967 /nfs/dbraw/zinc/39/89/67/659398967.db2.gz CXOJSPVNBXLWHC-SNVBAGLBSA-N 1 0 388.262 1.918 20 0 GDADRO Cn1cc(NC(=O)N2CC[NH2+]CCC23CCOCC3)cc(Br)c1=O ZINC000904374777 659399848 /nfs/dbraw/zinc/39/98/48/659399848.db2.gz WRJMTYBMHSOBCY-UHFFFAOYSA-N 1 0 399.289 1.524 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000904494208 659402589 /nfs/dbraw/zinc/40/25/89/659402589.db2.gz NGZTVHGTMFEKCG-AULYBMBSSA-N 1 0 397.321 1.455 20 0 GDADRO CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000904516046 659402861 /nfs/dbraw/zinc/40/28/61/659402861.db2.gz UWDWEEFBCWLAQL-VDBVYFBLSA-N 1 0 387.472 1.262 20 0 GDADRO [NH3+]CCN1CCC[C@H](c2nc(-c3nc(Br)ccc3F)no2)C1=O ZINC000904710152 659406383 /nfs/dbraw/zinc/40/63/83/659406383.db2.gz ZDQXWUAFYSIVIL-MRVPVSSYSA-N 1 0 384.209 1.698 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000904986116 659415796 /nfs/dbraw/zinc/41/57/96/659415796.db2.gz GQEIZMYIAUTTQZ-HNNXBMFYSA-N 1 0 398.301 1.244 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905009518 659416864 /nfs/dbraw/zinc/41/68/64/659416864.db2.gz GOYIAKOEEQDRAH-QGZVFWFLSA-N 1 0 398.276 1.901 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905010831 659417179 /nfs/dbraw/zinc/41/71/79/659417179.db2.gz UWAYNWXUWJHUBN-SJCJKPOMSA-N 1 0 398.276 1.886 20 0 GDADRO [NH3+]C1CCN(Cc2cn(Cc3ccc(I)cc3)nn2)CC1 ZINC000905058507 659419751 /nfs/dbraw/zinc/41/97/51/659419751.db2.gz ISNXSDVHSDVKSQ-UHFFFAOYSA-N 1 0 397.264 1.854 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)cc1OC ZINC000905088670 659421847 /nfs/dbraw/zinc/42/18/47/659421847.db2.gz JLYIPHMDRHFZRJ-BLLLJJGKSA-N 1 0 390.274 1.458 20 0 GDADRO CCC1(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCOCC1 ZINC000905146012 659427294 /nfs/dbraw/zinc/42/72/94/659427294.db2.gz LOMRJJWIGIIRHH-HNNXBMFYSA-N 1 0 376.563 1.784 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1)C(F)(F)F ZINC000905161853 659427912 /nfs/dbraw/zinc/42/79/12/659427912.db2.gz SZMSUXYZAAPLAY-ZDUSSCGKSA-N 1 0 388.452 1.194 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CC1(O)CCCC1)c1ccc(Cl)s1 ZINC000905183163 659430672 /nfs/dbraw/zinc/43/06/72/659430672.db2.gz YZAIMQOZLSXJIT-NSHDSACASA-N 1 0 382.935 1.326 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)CCN1c1cccc(Br)c1 ZINC000905238937 659436108 /nfs/dbraw/zinc/43/61/08/659436108.db2.gz YITXYOQPAPWJIF-HUUCEWRRSA-N 1 0 399.285 1.046 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC2(CF)CCOCC2)CCC1 ZINC000905275462 659439104 /nfs/dbraw/zinc/43/91/04/659439104.db2.gz XOSAHDWSWDOQLS-CQSZACIVSA-N 1 0 380.526 1.344 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000905354462 659446091 /nfs/dbraw/zinc/44/60/91/659446091.db2.gz RJVLYVKRJSVFCK-LBPRGKRZSA-N 1 0 379.404 1.398 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@]2(C)CCCC[C@@H]2O)CCC1 ZINC000905358342 659446670 /nfs/dbraw/zinc/44/66/70/659446670.db2.gz DMEMXIODXRQWAF-UXLLHSPISA-N 1 0 376.563 1.519 20 0 GDADRO OC[C@@H](C[NH2+]C[C@@H](O)C1(O)CCOCC1)Cc1ccc(Br)cc1 ZINC000905364292 659447815 /nfs/dbraw/zinc/44/78/15/659447815.db2.gz DAPYVKVTBBXELV-GDBMZVCRSA-N 1 0 388.302 1.092 20 0 GDADRO OC[C@@H](C[NH2+]C[C@@H](O)C1(O)CCOCC1)Cc1cccc(Br)c1 ZINC000905364578 659447856 /nfs/dbraw/zinc/44/78/56/659447856.db2.gz FCGHGTPITKSWOK-GDBMZVCRSA-N 1 0 388.302 1.092 20 0 GDADRO CC[C@H]([NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@H](O)C(F)(F)F ZINC000905369148 659448489 /nfs/dbraw/zinc/44/84/89/659448489.db2.gz YGDODYTXJTXRLF-TUAOUCFPSA-N 1 0 390.468 1.279 20 0 GDADRO C[C@@](O)(C[NH2+]Cc1ccc(F)c(S(N)(=O)=O)c1)C(F)(F)C(F)(F)F ZINC000905380341 659450135 /nfs/dbraw/zinc/45/01/35/659450135.db2.gz FILMLUKSVHNBJP-SNVBAGLBSA-N 1 0 380.310 1.511 20 0 GDADRO CC(C)[NH+](CCNC(=O)c1cn(C)nc1I)C(C)C ZINC000905389932 659450679 /nfs/dbraw/zinc/45/06/79/659450679.db2.gz CYQGWRYTSQPBKF-UHFFFAOYSA-N 1 0 378.258 1.873 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000905448640 659453764 /nfs/dbraw/zinc/45/37/64/659453764.db2.gz YESJFGICJKBCSC-MNOVXSKESA-N 1 0 377.331 1.272 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000905448642 659454182 /nfs/dbraw/zinc/45/41/82/659454182.db2.gz YESJFGICJKBCSC-QWRGUYRKSA-N 1 0 377.331 1.272 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000905479819 659457237 /nfs/dbraw/zinc/45/72/37/659457237.db2.gz AOFHWMHCLVZENZ-NSHDSACASA-N 1 0 397.324 1.747 20 0 GDADRO O=C1C[C@@H](CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CN1 ZINC000905589505 659467048 /nfs/dbraw/zinc/46/70/48/659467048.db2.gz YNDAYGREHAXLOG-ZWNOBZJWSA-N 1 0 375.238 1.444 20 0 GDADRO O=c1c(Br)nn(C[N@@H+]2CC[C@H](C3OCCO3)C2)c2ccccc12 ZINC000905695014 659476486 /nfs/dbraw/zinc/47/64/86/659476486.db2.gz FYGKWNHZBMQZFY-NSHDSACASA-N 1 0 380.242 1.811 20 0 GDADRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000905702865 659477520 /nfs/dbraw/zinc/47/75/20/659477520.db2.gz RIFXPLVXMCARRZ-BPLDGKMQSA-N 1 0 387.274 1.521 20 0 GDADRO COCCNc1nn(CN2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c(=S)s1 ZINC000905708866 659478418 /nfs/dbraw/zinc/47/84/18/659478418.db2.gz XMJPSXYMKAAPSJ-IAQYHMDHSA-N 1 0 387.531 1.900 20 0 GDADRO C[NH+]1CCN(Cc2cccc(NS(=O)(=O)N=S3(=O)CCCC3)c2)CC1 ZINC000906064102 659515822 /nfs/dbraw/zinc/51/58/22/659515822.db2.gz IMEUXFUGXMOUHE-UHFFFAOYSA-N 1 0 386.543 1.353 20 0 GDADRO NS(=O)(=O)CCCC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000906116684 659521598 /nfs/dbraw/zinc/52/15/98/659521598.db2.gz VHZOSKGUICCXLN-AWEZNQCLSA-N 1 0 391.896 1.801 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(F)(F)c1ncccc1Br ZINC000906461133 659543509 /nfs/dbraw/zinc/54/35/09/659543509.db2.gz XJJLZRQTMFOTGH-QWRGUYRKSA-N 1 0 390.228 1.915 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906671696 659567990 /nfs/dbraw/zinc/56/79/90/659567990.db2.gz HFINCYLYSFTJBK-ZDUSSCGKSA-N 1 0 394.317 1.853 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2nn(C(C)C)cc2Br)CC1 ZINC000906672874 659568030 /nfs/dbraw/zinc/56/80/30/659568030.db2.gz PFXXYKPEWUOZTO-CYBMUJFWSA-N 1 0 386.338 1.982 20 0 GDADRO CC(C)[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)sc2C1 ZINC000906678456 659569687 /nfs/dbraw/zinc/56/96/87/659569687.db2.gz NKNQVYXPIAHMAX-KWQFWETISA-N 1 0 378.420 1.848 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC000906679145 659569739 /nfs/dbraw/zinc/56/97/39/659569739.db2.gz MXJHANSXNGQBCT-GFCCVEGCSA-N 1 0 375.516 1.173 20 0 GDADRO O=C(Nc1ccnn1Cc1ccc(Cl)s1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000906685448 659570829 /nfs/dbraw/zinc/57/08/29/659570829.db2.gz RPMYUFSQKALICH-NSHDSACASA-N 1 0 381.889 1.843 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000906704382 659573933 /nfs/dbraw/zinc/57/39/33/659573933.db2.gz HVPXYITVRCTEQX-SNVBAGLBSA-N 1 0 376.201 1.780 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1Br ZINC000906728176 659576849 /nfs/dbraw/zinc/57/68/49/659576849.db2.gz UTBACXYRTALJMT-JMJZKYOTSA-N 1 0 398.257 1.414 20 0 GDADRO O=C(Nc1ccc(I)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906728915 659577177 /nfs/dbraw/zinc/57/71/77/659577177.db2.gz PLJLJXJAXLOOKD-GRYCIOLGSA-N 1 0 385.205 1.239 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(I)cc2F)C1 ZINC000906741922 659578885 /nfs/dbraw/zinc/57/88/85/659578885.db2.gz NYGPGFCPIWRDPF-XWEPSHTISA-N 1 0 391.184 1.222 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1 ZINC000906740504 659578978 /nfs/dbraw/zinc/57/89/78/659578978.db2.gz WGONPQVKNBTCJK-AULYBMBSSA-N 1 0 382.917 1.685 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(Br)c(C3CC3)n1)C2 ZINC000906753280 659581960 /nfs/dbraw/zinc/58/19/60/659581960.db2.gz RWGIUKZKQLNWCZ-WCQGTBRESA-N 1 0 393.285 1.998 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906765110 659583454 /nfs/dbraw/zinc/58/34/54/659583454.db2.gz AGKDCBIBWSGTQX-INIZCTEOSA-N 1 0 382.258 1.751 20 0 GDADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906779414 659586028 /nfs/dbraw/zinc/58/60/28/659586028.db2.gz SCOZLSMYSZHJFC-AYVTZFPOSA-N 1 0 388.212 1.924 20 0 GDADRO O=C(Nc1ccc(F)c(Br)c1F)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906783958 659587616 /nfs/dbraw/zinc/58/76/16/659587616.db2.gz ZUOVRDUUMUNPMI-AYVTZFPOSA-N 1 0 388.212 1.924 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)c2cn(C)nc2I)CC1 ZINC000906806505 659590773 /nfs/dbraw/zinc/59/07/73/659590773.db2.gz MFCWFULVZADZEN-UHFFFAOYSA-N 1 0 390.269 1.877 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)NCC[NH+]2CCCC2)CC1 ZINC000906815266 659593120 /nfs/dbraw/zinc/59/31/20/659593120.db2.gz XBDKBCGZIGDCAR-UHFFFAOYSA-N 1 0 375.535 1.649 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cn(C)nc2I)C1 ZINC000906839588 659597581 /nfs/dbraw/zinc/59/75/81/659597581.db2.gz HGWFXKANUDVEHF-LLVKDONJSA-N 1 0 390.269 1.829 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)oc1Cl ZINC000907186976 659694659 /nfs/dbraw/zinc/69/46/59/659694659.db2.gz PALRNDJXBDILRQ-GHMZBOCLSA-N 1 0 376.862 1.967 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C[NH+](C)C ZINC000907196883 659697519 /nfs/dbraw/zinc/69/75/19/659697519.db2.gz CRSYZXJZUCFDHK-MRVPVSSYSA-N 1 0 396.282 1.163 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)N[C@@H]1CCc2ncc(Br)n2C1 ZINC000907281316 659718666 /nfs/dbraw/zinc/71/86/66/659718666.db2.gz NXHHBZOYIKVFRR-LLVKDONJSA-N 1 0 381.278 1.149 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)oc1Cl ZINC000907298045 659722047 /nfs/dbraw/zinc/72/20/47/659722047.db2.gz KRQZCWUIBNVDRM-LLVKDONJSA-N 1 0 394.877 1.451 20 0 GDADRO CCn1c(Br)ncc1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000907387946 659743367 /nfs/dbraw/zinc/74/33/67/659743367.db2.gz XIVFAJDPCSRLRI-OKILXGFUSA-N 1 0 398.349 1.954 20 0 GDADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cn(C)nc1I ZINC000907614580 659792795 /nfs/dbraw/zinc/79/27/95/659792795.db2.gz PSGUESZHRUDVFR-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC000907649074 659799646 /nfs/dbraw/zinc/79/96/46/659799646.db2.gz CHAJECPZEAYAGX-UHFFFAOYSA-N 1 0 389.543 1.517 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000907921937 659844807 /nfs/dbraw/zinc/84/48/07/659844807.db2.gz QXUQLWKYHJAXKT-GFCCVEGCSA-N 1 0 382.675 1.860 20 0 GDADRO Cn1nnc(C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)n1 ZINC000908262436 659889843 /nfs/dbraw/zinc/88/98/43/659889843.db2.gz XCHCZCLWLZEVEY-UHFFFAOYSA-N 1 0 393.289 1.709 20 0 GDADRO Cn1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(I)n1 ZINC000908422051 659906696 /nfs/dbraw/zinc/90/66/96/659906696.db2.gz CEDXKXQFXIUVRL-CQSZACIVSA-N 1 0 388.253 1.583 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000908607316 659926590 /nfs/dbraw/zinc/92/65/90/659926590.db2.gz VCAAWLQOFBLNEY-UHFFFAOYSA-N 1 0 399.333 1.947 20 0 GDADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000910406753 659970660 /nfs/dbraw/zinc/97/06/60/659970660.db2.gz CTHVBFQYVYKPCO-QGZVFWFLSA-N 1 0 388.917 1.597 20 0 GDADRO Cc1nc(C)c(CCNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000910949255 659989069 /nfs/dbraw/zinc/98/90/69/659989069.db2.gz OXDZGYRDAFLGAA-GHMZBOCLSA-N 1 0 378.420 1.157 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000910964015 659989310 /nfs/dbraw/zinc/98/93/10/659989310.db2.gz WJTLALFNXMXLOU-SNVBAGLBSA-N 1 0 391.274 1.331 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000910972063 659989648 /nfs/dbraw/zinc/98/96/48/659989648.db2.gz OUYPJBCJGIJHHS-RVZJWNSFSA-N 1 0 394.313 1.836 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000910974098 659989904 /nfs/dbraw/zinc/98/99/04/659989904.db2.gz XFHHZZKCYJUBKZ-ACJLOTCBSA-N 1 0 394.313 1.851 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000911004464 659990691 /nfs/dbraw/zinc/99/06/91/659990691.db2.gz QKCWTCJLXMWBLY-YVEFUNNKSA-N 1 0 398.276 1.587 20 0 GDADRO CC(C)c1csc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)n1 ZINC000911012494 659990878 /nfs/dbraw/zinc/99/08/78/659990878.db2.gz SFJOEJLSBMEDQY-ZJUUUORDSA-N 1 0 378.420 1.621 20 0 GDADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000911038178 659991677 /nfs/dbraw/zinc/99/16/77/659991677.db2.gz BZBMKUXIHRKCKJ-BXUZGUMPSA-N 1 0 396.285 1.586 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000911039954 659991987 /nfs/dbraw/zinc/99/19/87/659991987.db2.gz MQRWTYGTOAYKEC-JOYOIKCWSA-N 1 0 375.803 1.801 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000911041371 659992120 /nfs/dbraw/zinc/99/21/20/659992120.db2.gz VRIIHBANCFPXFK-WDMOLILDSA-N 1 0 396.285 1.633 20 0 GDADRO O=C(NCc1cccc(Br)c1Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911041666 659992167 /nfs/dbraw/zinc/99/21/67/659992167.db2.gz FSDQZDHJRSHRTC-MVWJERBFSA-N 1 0 386.677 1.728 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)c1 ZINC000911043740 659992344 /nfs/dbraw/zinc/99/23/44/659992344.db2.gz VSVPQSAOSPSQJB-UHFFFAOYSA-N 1 0 398.301 1.340 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N[C@@H]3C[NH2+]C[C@H]3C)s2)cs1 ZINC000911049989 659992549 /nfs/dbraw/zinc/99/25/49/659992549.db2.gz SSDVVURJSNHXLU-ZWNOBZJWSA-N 1 0 378.523 1.563 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911079940 659993670 /nfs/dbraw/zinc/99/36/70/659993670.db2.gz LFTFOGLYTUJOFZ-CHWSQXEVSA-N 1 0 382.302 1.817 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911097425 659994239 /nfs/dbraw/zinc/99/42/39/659994239.db2.gz PYAFHZLBXIHQIF-HNNXBMFYSA-N 1 0 386.315 1.871 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911097426 659994257 /nfs/dbraw/zinc/99/42/57/659994257.db2.gz PYAFHZLBXIHQIF-OAHLLOKOSA-N 1 0 386.315 1.871 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1Br ZINC000911099900 659994412 /nfs/dbraw/zinc/99/44/12/659994412.db2.gz GLRFNKWDKILMQJ-NILFDRSVSA-N 1 0 394.313 1.852 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911113347 659995087 /nfs/dbraw/zinc/99/50/87/659995087.db2.gz NPNCKQXPPLTWBS-ZDUSSCGKSA-N 1 0 384.274 1.188 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000911129918 659996294 /nfs/dbraw/zinc/99/62/94/659996294.db2.gz UZLMCOSBFBHDLV-NRUUGDAUSA-N 1 0 398.326 1.684 20 0 GDADRO O=C(NCc1nc(C(F)(F)F)cs1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911136400 659996545 /nfs/dbraw/zinc/99/65/45/659996545.db2.gz UUEZBKBZPLJRPI-CQSZACIVSA-N 1 0 376.404 1.523 20 0 GDADRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000911184331 659997858 /nfs/dbraw/zinc/99/78/58/659997858.db2.gz RYSOXCXZRGKEOM-LJIZCISZSA-N 1 0 377.535 1.223 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000911204138 659998409 /nfs/dbraw/zinc/99/84/09/659998409.db2.gz UYPXGHHJHQHXHE-GHMZBOCLSA-N 1 0 388.299 1.278 20 0 GDADRO CC[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)cc(Br)c1 ZINC000911256328 660000568 /nfs/dbraw/zinc/00/05/68/660000568.db2.gz SCWYZVHEMOPJNB-BIGNPOOSSA-N 1 0 386.265 1.880 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000911257072 660000716 /nfs/dbraw/zinc/00/07/16/660000716.db2.gz CTHQBMAHJKPZAP-DRZSPHRISA-N 1 0 385.295 1.542 20 0 GDADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCc2ccc(Br)c(F)c2C1 ZINC000911265220 660000935 /nfs/dbraw/zinc/00/09/35/660000935.db2.gz BGYLXJJMFNWHDV-UHFFFAOYSA-N 1 0 384.249 1.341 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000911292568 660002030 /nfs/dbraw/zinc/00/20/30/660002030.db2.gz PYYBZLMIAIULCJ-CYBMUJFWSA-N 1 0 384.274 1.332 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911336824 660003892 /nfs/dbraw/zinc/00/38/92/660003892.db2.gz PHQQGMYYWPOJDZ-HUUCEWRRSA-N 1 0 397.317 1.997 20 0 GDADRO O=C(NCC1(c2ccc(Br)cc2)CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911365110 660005544 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C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000381386932 677677151 /nfs/dbraw/zinc/67/71/51/677677151.db2.gz TWICXRALRQCJAZ-UKRRQHHQSA-N 1 0 375.535 1.646 20 0 GDADRO Cc1nc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)n1C ZINC000385829842 677677393 /nfs/dbraw/zinc/67/73/93/677677393.db2.gz UIPKZDFMWFSMJI-WDEREUQCSA-N 1 0 377.308 1.396 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000798144008 677679264 /nfs/dbraw/zinc/67/92/64/677679264.db2.gz RQYQSVFIYXMFPH-LBPRGKRZSA-N 1 0 376.906 1.566 20 0 GDADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CCN3CC[NH2+]C[C@@H]3C2)n1 ZINC001164392926 718831376 /nfs/dbraw/zinc/83/13/76/718831376.db2.gz SMNHHIOMHMAYRV-OAHLLOKOSA-N 1 0 383.887 1.622 20 0 GDADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CCN3CC[NH2+]C[C@@H]3C2)n1 ZINC001164398091 718833752 /nfs/dbraw/zinc/83/37/52/718833752.db2.gz AUHXEXGPVKGIGA-CHWSQXEVSA-N 1 0 377.880 1.273 20 0 GDADRO O=C1NCCN(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)C12C[NH2+]C2 ZINC001164414378 718879594 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1 0 376.457 1.507 20 0 GDADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)OC)c(N)cn3)CC2)CC1 ZINC001164614189 719024479 /nfs/dbraw/zinc/02/44/79/719024479.db2.gz OXGPOAJLORWEOO-UHFFFAOYSA-N 1 0 390.484 1.694 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(Cl)nc(-c2cccnc2)n1 ZINC001164629386 719135098 /nfs/dbraw/zinc/13/50/98/719135098.db2.gz ADAQXFKJXFAFBL-NSHDSACASA-N 1 0 383.786 1.688 20 0 GDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CCCO[C@H]4[C@@H](N4CCCC4=O)C3)n2)CC1 ZINC001164655194 719304276 /nfs/dbraw/zinc/30/42/76/719304276.db2.gz SIYPXIPBTRNSBS-NPPFBWRTSA-N 1 0 399.539 1.440 20 0 GDADRO CN(C)C(=O)c1cc2cnc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)nc2n1C1CCCC1 ZINC001164664272 719394437 /nfs/dbraw/zinc/39/44/37/719394437.db2.gz AEZWZBMSTKCRQA-ZWKOTPCHSA-N 1 0 398.511 1.767 20 0 GDADRO C[N@@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)C[C@@H]21 ZINC001164668546 719463958 /nfs/dbraw/zinc/46/39/58/719463958.db2.gz QNYOTXDQFRDYKR-OALUTQOASA-N 1 0 380.496 1.322 20 0 GDADRO 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XKKUPCWROOMRFO-UHFFFAOYSA-N 1 0 398.511 1.531 20 0 GDADRO CSc1nc(Cl)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164794357 721511474 /nfs/dbraw/zinc/51/14/74/721511474.db2.gz OVHZQPAVFCAVFD-UHFFFAOYSA-N 1 0 394.936 1.211 20 0 GDADRO COc1cccc2ncnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c21 ZINC001164794330 721519585 /nfs/dbraw/zinc/51/95/85/721519585.db2.gz BUJKCEMLBANCCW-UHFFFAOYSA-N 1 0 393.495 1.603 20 0 GDADRO CC(C)COc1nccnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164796207 721520952 /nfs/dbraw/zinc/52/09/52/721520952.db2.gz YAGWSZKHWAVROQ-UHFFFAOYSA-N 1 0 385.516 1.476 20 0 GDADRO CN1CC(=O)Nc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc21 ZINC001164912047 721541414 /nfs/dbraw/zinc/54/14/14/721541414.db2.gz YLAUIJYEULPMKO-ZBFHGGJFSA-N 1 0 398.442 1.346 20 0 GDADRO NC(=O)c1cncc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904891 721699459 /nfs/dbraw/zinc/69/94/59/721699459.db2.gz HNHDGZMRXKEMBX-GOSISDBHSA-N 1 0 388.422 1.708 20 0 GDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3nc[nH]c32)CC1 ZINC001165008398 721729773 /nfs/dbraw/zinc/72/97/73/721729773.db2.gz NMMKDOCMNNYBHL-UHFFFAOYSA-N 1 0 377.880 1.529 20 0 GDADRO COc1nc(Cl)nc(C)c1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010102 721737337 /nfs/dbraw/zinc/73/73/37/721737337.db2.gz AGUVYJUKBDGYMM-UHFFFAOYSA-N 1 0 381.908 1.970 20 0 GDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2[C@@H](F)Oc2ccc(Cl)nn2)CC1 ZINC001165013320 721750470 /nfs/dbraw/zinc/75/04/70/721750470.db2.gz XVOCWFGWHLDPBZ-MRXNPFEDSA-N 1 0 385.871 1.781 20 0 GDADRO CN(C)c1cccc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)[nH+]1 ZINC001164911450 721770615 /nfs/dbraw/zinc/77/06/15/721770615.db2.gz GSZYKZISZBBLGN-NRFANRHFSA-N 1 0 383.496 1.650 20 0 GDADRO COc1ccc(CN2C(=O)CO[C@H]3CN(c4cc(C[NH+](C)C)ccn4)C[C@@H]32)cc1 ZINC001165026976 721797072 /nfs/dbraw/zinc/79/70/72/721797072.db2.gz TVXZDOBLVNGNAN-PMACEKPBSA-N 1 0 396.491 1.768 20 0 GDADRO COc1cc(OC)nc(CN2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)n1 ZINC001165031180 721845999 /nfs/dbraw/zinc/84/59/99/721845999.db2.gz WZWDLROGHADSHD-UHFFFAOYSA-N 1 0 399.499 1.515 20 0 GDADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164922425 721864624 /nfs/dbraw/zinc/86/46/24/721864624.db2.gz GVBRAHNEAWOQJC-HUUCEWRRSA-N 1 0 381.908 1.450 20 0 GDADRO O=C1Cc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc2N1 ZINC001164986513 722104403 /nfs/dbraw/zinc/10/44/03/722104403.db2.gz ZDMFVGBCHJJIPC-VQIMIIECSA-N 1 0 379.464 1.699 20 0 GDADRO COc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1OC ZINC001164983659 722116437 /nfs/dbraw/zinc/11/64/37/722116437.db2.gz YWBFYIMWHYHXHE-WMZOPIPTSA-N 1 0 385.468 1.616 20 0 GDADRO O=C1COc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2N1 ZINC001164979097 722124004 /nfs/dbraw/zinc/12/40/04/722124004.db2.gz OVWTWIRXNIWEHO-SJLPKXTDSA-N 1 0 395.463 1.535 20 0 GDADRO Cc1nc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc2[nH]1 ZINC001164985020 722131219 /nfs/dbraw/zinc/13/12/19/722131219.db2.gz YVFMJWSZDASODF-FUHWJXTLSA-N 1 0 379.468 1.735 20 0 GDADRO CC(C)C(=O)NCc1nnc2n1CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164989402 722190422 /nfs/dbraw/zinc/19/04/22/722190422.db2.gz MZHXOCZLTAKHNQ-UHFFFAOYSA-N 1 0 397.527 1.951 20 0 GDADRO CN1CCN(c2ncnc3c2CCN(c2cc(N4CCCC4)cc[nH+]2)CC3)CC1 ZINC001164997164 722235573 /nfs/dbraw/zinc/23/55/73/722235573.db2.gz MXTQFDJXBORZST-UHFFFAOYSA-N 1 0 393.539 1.829 20 0 GDADRO COc1cnc(Cl)nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001164999556 722250808 /nfs/dbraw/zinc/25/08/08/722250808.db2.gz BQVHEDSMGZBHSO-UHFFFAOYSA-N 1 0 380.880 1.824 20 0 GDADRO O=C1[C@@H](N2CCC[C@H]([NH+]3CCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291387 945258085 /nfs/dbraw/zinc/25/80/85/945258085.db2.gz UKSVEEHOVJLTOB-ROUUACIJSA-N 1 0 381.484 1.532 20 0 GDADRO CC(C)[NH+](CCCNC(=O)NCCNc1ncccc1-c1nn[nH]n1)C(C)C ZINC000820117273 945354724 /nfs/dbraw/zinc/35/47/24/945354724.db2.gz YLVVTLOKSYEXKC-UHFFFAOYSA-N 1 0 389.508 1.482 20 0 GDADRO CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)CC(=O)NC ZINC000736535295 944842179 /nfs/dbraw/zinc/84/21/79/944842179.db2.gz SPHJKIPUDZBPBY-UHFFFAOYSA-N 1 0 391.501 1.204 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)c1csc(=O)[nH]1 ZINC001571261323 945425753 /nfs/dbraw/zinc/42/57/53/945425753.db2.gz CWBHHVVPZNCKSU-PWSUYJOCSA-N 1 0 385.453 1.422 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)c1ccc(=O)[nH]c1 ZINC001571262069 945433627 /nfs/dbraw/zinc/43/36/27/945433627.db2.gz MZKJOWZDZNUEOY-UHFFFAOYSA-N 1 0 385.453 1.423 20 0 GDADRO CC1([NH2+]C[C@H]2C[C@]23CCOC3)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571264078 945473803 /nfs/dbraw/zinc/47/38/03/945473803.db2.gz FMWIWRGLODQDGN-YJYMSZOUSA-N 1 0 385.472 1.206 20 0 GDADRO C[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571264559 945485446 /nfs/dbraw/zinc/48/54/46/945485446.db2.gz RHDCFBAWXTWOIW-KBUPBQIOSA-N 1 0 385.472 1.196 20 0 GDADRO O=C([C@H]1CCCCO1)N1CCC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571266361 945540132 /nfs/dbraw/zinc/54/01/32/945540132.db2.gz PEBRBNRBORZEFS-RHSMWYFYSA-N 1 0 385.472 1.293 20 0 GDADRO CC[C@H]1CN(C(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000820989535 945605549 /nfs/dbraw/zinc/60/55/49/945605549.db2.gz VREBIAGMLREPTL-YOEHRIQHSA-N 1 0 387.488 1.680 20 0 GDADRO O=C(NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1=CCOCC1 ZINC001571269392 945619489 /nfs/dbraw/zinc/61/94/89/945619489.db2.gz XHNUJMCGCFCOPH-UHFFFAOYSA-N 1 0 386.431 1.337 20 0 GDADRO CCn1cnc(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@@H](C)C2)c1 ZINC001571271393 945642279 /nfs/dbraw/zinc/64/22/79/945642279.db2.gz BJSASMYDFKBNGK-AAEUAGOBSA-N 1 0 386.485 1.395 20 0 GDADRO CC[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[nH]n2)c(C)n1)[NH+](C)C ZINC001571271680 945648199 /nfs/dbraw/zinc/64/81/99/945648199.db2.gz HCXOAWWTWWUNPG-HOCLYGCPSA-N 1 0 386.504 1.703 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821190020 945650703 /nfs/dbraw/zinc/65/07/03/945650703.db2.gz XRTJPTUGDMNJBQ-QGZVFWFLSA-N 1 0 388.472 1.205 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C(C)(C)C ZINC001571271851 945652088 /nfs/dbraw/zinc/65/20/88/945652088.db2.gz KXLKZZUQROHTPN-YOEHRIQHSA-N 1 0 386.500 1.866 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271866 945652246 /nfs/dbraw/zinc/65/22/46/945652246.db2.gz LHFXPRUCYDCMIY-CMPLNLGQSA-N 1 0 386.485 1.743 20 0 GDADRO C[C@@H]([NH2+]Cc1cncs1)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571272047 945654824 /nfs/dbraw/zinc/65/48/24/945654824.db2.gz NOJZUXZMPGPLHR-VXGBXAGGSA-N 1 0 386.485 1.682 20 0 GDADRO Cc1nc(CC[NH+]2CC([C@H](C)NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cs1 ZINC001571272097 945655931 /nfs/dbraw/zinc/65/59/31/945655931.db2.gz PEXQBBRQPKQMFC-JTQLQIEISA-N 1 0 386.485 1.253 20 0 GDADRO Cc1cnc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)s1 ZINC001571272359 945662241 /nfs/dbraw/zinc/66/22/41/945662241.db2.gz SRFKMLIWAGZRIP-ZDUSSCGKSA-N 1 0 386.485 1.744 20 0 GDADRO CC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1[NH2+]Cc1ccns1 ZINC001571272611 945667502 /nfs/dbraw/zinc/66/75/02/945667502.db2.gz XLBIITDRVOEALL-RISCZKNCSA-N 1 0 386.485 1.682 20 0 GDADRO CCOC(=O)[C@H]1CCCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000821326009 945670294 /nfs/dbraw/zinc/67/02/94/945670294.db2.gz QVPROCWYBLOMSZ-AWEZNQCLSA-N 1 0 383.412 1.692 20 0 GDADRO Cc1cc(NCC2CC(NC(=O)c3ccc(Cl)[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571274263 945695572 /nfs/dbraw/zinc/69/55/72/945695572.db2.gz CYOOHHDCCYRZCX-UHFFFAOYSA-N 1 0 386.847 1.594 20 0 GDADRO C[N@H+](CCCO)C1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821600619 945737133 /nfs/dbraw/zinc/73/71/33/945737133.db2.gz VMAMQMIPTJXNPW-UHFFFAOYSA-N 1 0 396.442 1.747 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571277419 945741113 /nfs/dbraw/zinc/74/11/13/945741113.db2.gz PZVYNFYGVKMUNP-YPFXGUDJSA-N 1 0 387.394 1.771 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571277781 945746826 /nfs/dbraw/zinc/74/68/26/945746826.db2.gz STSDYOPRFXYTRC-GSJFWJNXSA-N 1 0 387.394 1.771 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)C1 ZINC000821623535 945753497 /nfs/dbraw/zinc/75/34/97/945753497.db2.gz MWQBIBLSRDREKG-HNNXBMFYSA-N 1 0 378.484 1.631 20 0 GDADRO Cc1nnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571281135 945797093 /nfs/dbraw/zinc/79/70/93/945797093.db2.gz CNVNKRSRGLGSRM-NWDGAFQWSA-N 1 0 387.473 1.186 20 0 GDADRO CCc1ncoc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281061 945798313 /nfs/dbraw/zinc/79/83/13/945798313.db2.gz BMRZLBYBMKIHAN-NSHDSACASA-N 1 0 387.469 1.825 20 0 GDADRO C[C@@H](CC[NH+](C)C)C(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571281182 945801369 /nfs/dbraw/zinc/80/13/69/945801369.db2.gz DZQWAMAAUUYNMC-JEYLPNPQSA-N 1 0 387.488 1.656 20 0 GDADRO O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571281401 945803372 /nfs/dbraw/zinc/80/33/72/945803372.db2.gz HYKBRKLOMYJFAC-KGLIPLIRSA-N 1 0 387.463 1.941 20 0 GDADRO CC1(C)CO[C@H](C[NH2+]C[C@@H]2CCCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571281844 945818074 /nfs/dbraw/zinc/81/80/74/945818074.db2.gz PAICEBKQNNJRIK-GJZGRUSLSA-N 1 0 387.488 1.594 20 0 GDADRO CCC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CC1 ZINC001571282306 945839824 /nfs/dbraw/zinc/83/98/24/945839824.db2.gz GQTJTLWRZGGVAB-OAHLLOKOSA-N 1 0 387.463 1.134 20 0 GDADRO CC(=O)N[C@@](C)(C(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573453991 945870185 /nfs/dbraw/zinc/87/01/85/945870185.db2.gz SNLAMPBAFGWRSF-ORAYPTAESA-N 1 0 387.488 1.012 20 0 GDADRO CC[C@H](C(=O)N1CCCC[C@H]1CCNc1cnc(-c2nn[nH]n2)cn1)[NH+](C)C ZINC001571283221 945879749 /nfs/dbraw/zinc/87/97/49/945879749.db2.gz CCTIYDKQRFXTKQ-DZGCQCFKSA-N 1 0 387.492 1.180 20 0 GDADRO CCC(CC)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nn[nH]n3)[nH]1)O2 ZINC001571283743 945890014 /nfs/dbraw/zinc/89/00/14/945890014.db2.gz JABNNKPXQWRNPU-CQSZACIVSA-N 1 0 387.488 1.594 20 0 GDADRO COC[C@H](C)[N@@H+]1CC[C@H](C2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001571285217 945909877 /nfs/dbraw/zinc/90/98/77/945909877.db2.gz ZNODVKWQFBGNBI-ZFWWWQNUSA-N 1 0 387.488 1.404 20 0 GDADRO CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573461981 945928171 /nfs/dbraw/zinc/92/81/71/945928171.db2.gz VCEVHJPETDGEME-CHWSQXEVSA-N 1 0 387.488 1.154 20 0 GDADRO CC(=O)NC(C)(C)C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573463292 945952383 /nfs/dbraw/zinc/95/23/83/945952383.db2.gz UIJIHYRHZHNVIR-MRXNPFEDSA-N 1 0 387.488 1.012 20 0 GDADRO CN(C(=O)C[C@@H]1CCCO1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571287274 945969661 /nfs/dbraw/zinc/96/96/61/945969661.db2.gz CEQWQRRDHFXCSF-GPANFISMSA-N 1 0 388.447 1.654 20 0 GDADRO CC1(C)CN(C(=O)[C@@H]2CCOC2)C[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571287271 945969775 /nfs/dbraw/zinc/96/97/75/945969775.db2.gz CDIZLULOMBHCEE-CZUORRHYSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@H]1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CO1 ZINC001571287221 945970794 /nfs/dbraw/zinc/97/07/94/945970794.db2.gz AZPJLQYQMIBACU-GVAFMPQTSA-N 1 0 388.447 1.415 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571288555 945987942 /nfs/dbraw/zinc/98/79/42/945987942.db2.gz QKRZFUINQGGCPO-UKRRQHHQSA-N 1 0 388.447 1.369 20 0 GDADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC001571288718 945991373 /nfs/dbraw/zinc/99/13/73/945991373.db2.gz RWYROJQUJHBRDQ-CVEARBPZSA-N 1 0 388.447 1.608 20 0 GDADRO O=C(C1CCOCC1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571289185 945998256 /nfs/dbraw/zinc/99/82/56/945998256.db2.gz WPEHPELLFXDCGT-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571289771 946016747 /nfs/dbraw/zinc/01/67/47/946016747.db2.gz MBROPPAWPVEBTP-OYCUPVHPSA-N 1 0 388.497 1.338 20 0 GDADRO O=C(NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cc(Cl)no1 ZINC001571290958 946062707 /nfs/dbraw/zinc/06/27/07/946062707.db2.gz VSBHNVQJAYHZEC-UHFFFAOYSA-N 1 0 388.819 1.478 20 0 GDADRO Cc1nc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cs1 ZINC001571294312 946132589 /nfs/dbraw/zinc/13/25/89/946132589.db2.gz FEYDWHGXMDSUSM-LLVKDONJSA-N 1 0 389.510 1.626 20 0 GDADRO C[N@H+](CC(=O)N1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1)CC(C)(C)C ZINC001571294381 946134859 /nfs/dbraw/zinc/13/48/59/946134859.db2.gz HILRZOXZYQBZRF-UHFFFAOYSA-N 1 0 389.479 1.632 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)[NH+](C)C ZINC001571295483 946165192 /nfs/dbraw/zinc/16/51/92/946165192.db2.gz UYKXBVGGOPOKFN-KRWDZBQOSA-N 1 0 389.479 1.236 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCc2cccnc21 ZINC001571295614 946168654 /nfs/dbraw/zinc/16/86/54/946168654.db2.gz ZLPWLPVQXRDWQC-KSZLIROESA-N 1 0 389.463 1.729 20 0 GDADRO O=C([C@H]1COc2ccccc21)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571295665 946172026 /nfs/dbraw/zinc/17/20/26/946172026.db2.gz BOFHNXIGHAXBOM-AEFFLSMTSA-N 1 0 390.447 1.733 20 0 GDADRO O=C(c1ncccn1)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571298081 946206352 /nfs/dbraw/zinc/20/63/52/946206352.db2.gz JDMUZCKXZIEPKR-DLBZAZTESA-N 1 0 390.451 1.536 20 0 GDADRO CS[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C2 ZINC001571298411 946217142 /nfs/dbraw/zinc/21/71/42/946217142.db2.gz NGBAJROHGQGBQR-LBPRGKRZSA-N 1 0 390.488 1.792 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCN(C(=O)C(C)(C)F)C[C@@H]1C ZINC001571298493 946219207 /nfs/dbraw/zinc/21/92/07/946219207.db2.gz PJTYRFZPYPESEI-SWLSCSKDSA-N 1 0 390.463 1.950 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)[C@@H]3CCc4cccnc43)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571298876 946231798 /nfs/dbraw/zinc/23/17/98/946231798.db2.gz LGXRSSIXYFANTG-HUUCEWRRSA-N 1 0 390.451 1.130 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822968841 946241313 /nfs/dbraw/zinc/24/13/13/946241313.db2.gz BQBQJFOGWDAMGR-UHFFFAOYSA-N 1 0 391.479 1.695 20 0 GDADRO CC[C@H](OC)C(=O)N1CCC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001571299109 946241305 /nfs/dbraw/zinc/24/13/05/946241305.db2.gz UMYPGWMPLZHGPP-KRWDZBQOSA-N 1 0 390.463 1.759 20 0 GDADRO Cc1nsc(NC[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC001571299322 946246274 /nfs/dbraw/zinc/24/62/74/946246274.db2.gz KNIWLYKCYCNYJL-OLZOCXBDSA-N 1 0 390.517 1.424 20 0 GDADRO O=C(c1cccnn1)N1CCC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571299701 946259879 /nfs/dbraw/zinc/25/98/79/946259879.db2.gz ZIHIMFJGSCBVBE-FUHWJXTLSA-N 1 0 390.451 1.393 20 0 GDADRO O=C(C[C@H]1CCCCO1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299746 946261947 /nfs/dbraw/zinc/26/19/47/946261947.db2.gz PDTJBOZFRCYEML-UONOGXRCSA-N 1 0 390.513 1.826 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H]1CCCN1C(=O)CC1(O)CCC1 ZINC001571300317 946281696 /nfs/dbraw/zinc/28/16/96/946281696.db2.gz ZKMYKPVGOYOHNZ-ZDUSSCGKSA-N 1 0 390.513 1.656 20 0 GDADRO O=C(c1ncc(F)cc1F)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571301942 946288113 /nfs/dbraw/zinc/28/81/13/946288113.db2.gz INZNUAJUSRAVGZ-SNVBAGLBSA-N 1 0 391.407 1.606 20 0 GDADRO Cc1cc(N2CCN(C(=O)c3cncnc3C3CC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571303063 946324362 /nfs/dbraw/zinc/32/43/62/946324362.db2.gz KGWNKQFFTGJLFC-UHFFFAOYSA-N 1 0 391.439 1.200 20 0 GDADRO CC(=O)N[C@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC2(CCOCC2)C1 ZINC001573497488 946349982 /nfs/dbraw/zinc/34/99/82/946349982.db2.gz RJOUSZISSPPHRK-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO Cc1cncc(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571307178 946418271 /nfs/dbraw/zinc/41/82/71/946418271.db2.gz ZDJFVANKOUPOAY-IBGZPJMESA-N 1 0 391.479 1.893 20 0 GDADRO OCCCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CC1 ZINC000823718637 946469825 /nfs/dbraw/zinc/46/98/25/946469825.db2.gz XOIVCLNVMGRDJY-UHFFFAOYSA-N 1 0 387.875 1.963 20 0 GDADRO C[C@H](C(=O)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1)n1cccc1 ZINC001571310809 946479518 /nfs/dbraw/zinc/47/95/18/946479518.db2.gz NQESFYFDKRNBBM-FOIQADDNSA-N 1 0 392.467 1.753 20 0 GDADRO CCc1cccc(C(=O)NC[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001571313054 946510407 /nfs/dbraw/zinc/51/04/07/946510407.db2.gz IWEQERLGSOQDMD-OTVXOJSOSA-N 1 0 392.467 1.570 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)CCc1ncccn1 ZINC001571313281 946518536 /nfs/dbraw/zinc/51/85/36/946518536.db2.gz LKMWFNQLKKZGNN-RHSMWYFYSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)CCc1cnccn1 ZINC001571313800 946531871 /nfs/dbraw/zinc/53/18/71/946531871.db2.gz WLVBTKFRYYMNSI-RDTXWAMCSA-N 1 0 392.467 1.369 20 0 GDADRO CC(=O)c1ccc(-c2nn[nH]n2)c(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000824014028 946544162 /nfs/dbraw/zinc/54/41/62/946544162.db2.gz BFPWJMAZKPXBDB-KRWDZBQOSA-N 1 0 383.500 1.676 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c(C)nn1 ZINC001571314941 946548142 /nfs/dbraw/zinc/54/81/42/946548142.db2.gz DXRVNLOXUNYMOV-INIZCTEOSA-N 1 0 392.467 1.525 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C12CCC2 ZINC001571315269 946549578 /nfs/dbraw/zinc/54/95/78/946549578.db2.gz IKWKWMRSCGQSLN-HOTGVXAUSA-N 1 0 392.467 1.729 20 0 GDADRO CC(=O)c1ccc(-c2nn[nH]n2)c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000824015409 946553197 /nfs/dbraw/zinc/55/31/97/946553197.db2.gz STLIDSIWCGIGKB-GOSISDBHSA-N 1 0 392.463 1.900 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)nn1 ZINC001571315788 946558314 /nfs/dbraw/zinc/55/83/14/946558314.db2.gz OCJFXOJDNJICPT-NVXWUHKLSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1ccc(C(=O)N2C[C@H]3CN(c4cc(C)[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)n1C ZINC001571315879 946561351 /nfs/dbraw/zinc/56/13/51/946561351.db2.gz QLJHZGOZFHREDP-GASCZTMLSA-N 1 0 392.467 1.425 20 0 GDADRO O=C(NC1(C2CC[NH+](Cc3cccnc3)CC2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571316350 946573523 /nfs/dbraw/zinc/57/35/23/946573523.db2.gz ALJQFLIBQCWWSF-UHFFFAOYSA-N 1 0 392.467 1.764 20 0 GDADRO Cn1cnc(C(=O)N[C@@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C23CCC3)c1 ZINC001571316586 946582303 /nfs/dbraw/zinc/58/23/03/946582303.db2.gz HHPGXZYJPCBNPU-DLBZAZTESA-N 1 0 392.467 1.431 20 0 GDADRO O=C(CCc1cn[nH]c1)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571316728 946586424 /nfs/dbraw/zinc/58/64/24/946586424.db2.gz KVNKVVKBSBXVKA-UHFFFAOYSA-N 1 0 392.467 1.257 20 0 GDADRO Cn1ccc(C(=O)N2CCC[C@@]3(CCN(c4cc[nH+]cc4-c4nn[nH]n4)C3)C2)c1 ZINC001571316987 946594145 /nfs/dbraw/zinc/59/41/45/946594145.db2.gz RHUCEZRKLDLALL-FQEVSTJZSA-N 1 0 392.467 1.733 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4-c4nn[nH]n4)C3)C2)n1 ZINC001571317022 946595438 /nfs/dbraw/zinc/59/54/38/946595438.db2.gz SCALYPIVTWMPRF-HXUWFJFHSA-N 1 0 392.467 1.338 20 0 GDADRO Cn1nccc1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571317248 946604692 /nfs/dbraw/zinc/60/46/92/946604692.db2.gz ZCHPAIUNVCYTTE-JXFKEZNVSA-N 1 0 392.467 1.385 20 0 GDADRO O=C(c1cnc2n1CCC2)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317596 946613162 /nfs/dbraw/zinc/61/31/62/946613162.db2.gz NXPHGGFRIDVUIG-MRXNPFEDSA-N 1 0 392.467 1.404 20 0 GDADRO CC(C)[NH2+]C1CCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824305354 946649784 /nfs/dbraw/zinc/64/97/84/946649784.db2.gz ODDWPTBVBRCQTN-GOSISDBHSA-N 1 0 383.500 1.825 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573527906 946650119 /nfs/dbraw/zinc/65/01/19/946650119.db2.gz LNKILTVVIWWLED-CYBMUJFWSA-N 1 0 387.488 1.013 20 0 GDADRO CC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1cc(-c3nn[nH]n3)ccc1F)CC2 ZINC001573529741 946678897 /nfs/dbraw/zinc/67/88/97/946678897.db2.gz HGOHBSIIJVTTSR-INIZCTEOSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824590815 946839368 /nfs/dbraw/zinc/83/93/68/946839368.db2.gz DLOIXPVKYUXPGE-MRXNPFEDSA-N 1 0 393.499 1.520 20 0 GDADRO C[C@@H]1COCCN1CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825007222 947042415 /nfs/dbraw/zinc/04/24/15/947042415.db2.gz XOJYPKRADDEYQW-MRXNPFEDSA-N 1 0 385.516 1.141 20 0 GDADRO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2noc(C)c2-c2nn[nH]n2)cc1 ZINC000825416611 947182551 /nfs/dbraw/zinc/18/25/51/947182551.db2.gz LBQPFSXBDNCNPV-UHFFFAOYSA-N 1 0 383.456 1.864 20 0 GDADRO CCNC(=O)N1CC[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825470361 947197135 /nfs/dbraw/zinc/19/71/35/947197135.db2.gz CABHKYNEFAOKEX-GOSISDBHSA-N 1 0 398.515 1.225 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H](C)c1cnn(C)c1 ZINC001573586619 947291625 /nfs/dbraw/zinc/29/16/25/947291625.db2.gz RYCGKVDVSQVGMQ-ZIAGYGMSSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573595123 947414645 /nfs/dbraw/zinc/41/46/45/947414645.db2.gz FPDGEYTWPDLTHU-HOCLYGCPSA-N 1 0 380.456 1.357 20 0 GDADRO C[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccnc1 ZINC001573602684 947470500 /nfs/dbraw/zinc/47/05/00/947470500.db2.gz GVQNEBXOJGLWPI-CYBMUJFWSA-N 1 0 383.431 1.753 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573603755 947496798 /nfs/dbraw/zinc/49/67/98/947496798.db2.gz PVIHKXNSBNHPJW-AWEZNQCLSA-N 1 0 382.472 1.294 20 0 GDADRO COCC[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000826159296 947504045 /nfs/dbraw/zinc/50/40/45/947504045.db2.gz ANWUJSJQNXOERX-HNNXBMFYSA-N 1 0 396.499 1.420 20 0 GDADRO COCc1noc([C@H](C)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826165564 947522332 /nfs/dbraw/zinc/52/23/32/947522332.db2.gz AUVAKKAPIRTWDH-AWEZNQCLSA-N 1 0 398.471 1.665 20 0 GDADRO C[C@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC001573605681 947532102 /nfs/dbraw/zinc/53/21/02/947532102.db2.gz YHYFCVYCUNGCQQ-AWEZNQCLSA-N 1 0 384.440 1.174 20 0 GDADRO C/C(=C\C(=O)N1CCC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001573362789 947705414 /nfs/dbraw/zinc/70/54/14/947705414.db2.gz LLIIDYXPBHITGJ-XETPBLJFSA-N 1 0 381.484 1.999 20 0 GDADRO C[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@@H]1CCCO1 ZINC001573627121 947717092 /nfs/dbraw/zinc/71/70/92/947717092.db2.gz ZCAPIWRFSDAVFK-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO CC(=O)CCCC(=O)N(C)[C@@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001573364117 947718345 /nfs/dbraw/zinc/71/83/45/947718345.db2.gz GGSXDPIWPYORES-KRWDZBQOSA-N 1 0 385.472 1.400 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259680 947749674 /nfs/dbraw/zinc/74/96/74/947749674.db2.gz ZTMUEPHXBCJZJP-CVEARBPZSA-N 1 0 392.467 1.717 20 0 GDADRO C[C@@H](C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C(F)(F)F ZINC001573629188 947773831 /nfs/dbraw/zinc/77/38/31/947773831.db2.gz RFYXEZFAORKIBU-QWRGUYRKSA-N 1 0 383.378 1.675 20 0 GDADRO CC(=O)CCCC(=O)N1CCCC[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573372700 947781772 /nfs/dbraw/zinc/78/17/72/947781772.db2.gz CGNNJDSWRMEPPU-OAHLLOKOSA-N 1 0 385.472 1.626 20 0 GDADRO Cc1cc(NCCOCC[NH+](C)C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000826271110 947786527 /nfs/dbraw/zinc/78/65/27/947786527.db2.gz CPOGKKDEETVNTG-UHFFFAOYSA-N 1 0 380.456 1.966 20 0 GDADRO C[C@H](C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001573630298 947789990 /nfs/dbraw/zinc/78/99/90/947789990.db2.gz XSZRYGPYSLLDJF-HUUCEWRRSA-N 1 0 380.456 1.539 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@@H]1C ZINC001573373312 947790109 /nfs/dbraw/zinc/79/01/09/947790109.db2.gz HOOPYMQDOUNEJC-GUYCJALGSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001573374618 947812462 /nfs/dbraw/zinc/81/24/62/947812462.db2.gz OOBNSWMFJLQYEP-HIFRSBDPSA-N 1 0 385.472 1.543 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573375026 947813949 /nfs/dbraw/zinc/81/39/49/947813949.db2.gz QICZISCMQZXKIO-HNNXBMFYSA-N 1 0 388.447 1.703 20 0 GDADRO CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573375107 947816238 /nfs/dbraw/zinc/81/62/38/947816238.db2.gz QURLBTWVARSHIK-RHSMWYFYSA-N 1 0 385.472 1.624 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001573375922 947827473 /nfs/dbraw/zinc/82/74/73/947827473.db2.gz UUCQUQHKDKUBLG-KDOFPFPSSA-N 1 0 384.484 1.953 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573639993 947848482 /nfs/dbraw/zinc/84/84/82/947848482.db2.gz DOVITFAPFNOGEP-DZGCQCFKSA-N 1 0 383.431 1.759 20 0 GDADRO C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC1 ZINC001573641732 947857363 /nfs/dbraw/zinc/85/73/63/947857363.db2.gz NAMTYJNJXGJFCF-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1-c1nn[nH]n1 ZINC000826298051 947863538 /nfs/dbraw/zinc/86/35/38/947863538.db2.gz AXANHTOFGHJYDC-UHFFFAOYSA-N 1 0 383.456 1.604 20 0 GDADRO CC(=O)CCCC(=O)NCC1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573380952 947866842 /nfs/dbraw/zinc/86/68/42/947866842.db2.gz LAJJBUQKVQHMKD-UHFFFAOYSA-N 1 0 388.447 1.750 20 0 GDADRO C[C@H](C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccc1 ZINC001573655163 947975040 /nfs/dbraw/zinc/97/50/40/947975040.db2.gz WEZAFKBKZBDQDR-RDTXWAMCSA-N 1 0 379.468 1.914 20 0 GDADRO Cc1onc(CC(=O)NCC2([NH+]3CCSCC3)CCCC2)c1-c1nn[nH]n1 ZINC000826347026 948048542 /nfs/dbraw/zinc/04/85/42/948048542.db2.gz BSRDWBCZYMYWQZ-UHFFFAOYSA-N 1 0 391.501 1.183 20 0 GDADRO C[C@@H](C(=O)NC1CC2(C1)CC(Nc1cc[nH+]cc1-c1nn[nH]n1)C2)n1cccc1 ZINC001573664212 948051947 /nfs/dbraw/zinc/05/19/47/948051947.db2.gz CXXNSAGXEQQISS-SIFYEQCOSA-N 1 0 392.467 1.586 20 0 GDADRO Cc1onc(CC(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1-c1nn[nH]n1 ZINC000826349083 948088789 /nfs/dbraw/zinc/08/87/89/948088789.db2.gz SPMBRFHPXYDFGG-UHFFFAOYSA-N 1 0 385.428 1.675 20 0 GDADRO CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001573415609 948111932 /nfs/dbraw/zinc/11/19/32/948111932.db2.gz ZANXKEROYJBAEI-WOJBJXKFSA-N 1 0 392.463 1.461 20 0 GDADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826359264 948114438 /nfs/dbraw/zinc/11/44/38/948114438.db2.gz AYSOFTIKKCVDHM-KURKYZTESA-N 1 0 383.456 1.222 20 0 GDADRO Cn1cc(C[N@@H+]2CCC[C@H]2Cn2cncn2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360225 948117860 /nfs/dbraw/zinc/11/78/60/948117860.db2.gz CAPNNJBDVLMISK-KRWDZBQOSA-N 1 0 390.455 1.523 20 0 GDADRO Cn1cc([C@H]2CC[N@@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cn1 ZINC000826360028 948118120 /nfs/dbraw/zinc/11/81/20/948118120.db2.gz VRXGMVNMZFTWEY-YJBOKZPZSA-N 1 0 392.467 1.585 20 0 GDADRO Cn1cc(CN2CC[NH+](CC3CC3)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361030 948127697 /nfs/dbraw/zinc/12/76/97/948127697.db2.gz IIVRGYIDDHRJHW-UHFFFAOYSA-N 1 0 378.484 1.795 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573677464 948138069 /nfs/dbraw/zinc/13/80/69/948138069.db2.gz AUXNVBXSQJWOJK-SJKOYZFVSA-N 1 0 378.440 1.189 20 0 GDADRO CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573425753 948150902 /nfs/dbraw/zinc/15/09/02/948150902.db2.gz BKQOWUQHUPZMPS-FZMZJTMJSA-N 1 0 386.353 1.752 20 0 GDADRO CC(=O)N1C[C@H](C)OC2(CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001573426691 948158497 /nfs/dbraw/zinc/15/84/97/948158497.db2.gz OHCVGDVPPOQVCR-LBPRGKRZSA-N 1 0 376.486 1.530 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCCC1 ZINC001573680128 948172567 /nfs/dbraw/zinc/17/25/67/948172567.db2.gz LYLQASLUZQQBNC-SWLSCSKDSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573680239 948175453 /nfs/dbraw/zinc/17/54/53/948175453.db2.gz OWOGIDZYKGNZGL-KGLIPLIRSA-N 1 0 382.472 1.340 20 0 GDADRO NC(=O)C1(C[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCC1 ZINC000826389362 948196644 /nfs/dbraw/zinc/19/66/44/948196644.db2.gz WDIXRERXROKRAW-UHFFFAOYSA-N 1 0 383.500 1.466 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCCC1 ZINC001573681885 948216789 /nfs/dbraw/zinc/21/67/89/948216789.db2.gz YJWFJRQDUMPUFY-WBMJQRKESA-N 1 0 390.463 1.399 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826432203 948285333 /nfs/dbraw/zinc/28/53/33/948285333.db2.gz UTUNSXNHECIHLH-KZNAEPCWSA-N 1 0 397.483 1.576 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476728 948382906 /nfs/dbraw/zinc/38/29/06/948382906.db2.gz NKQMHIFIUQJRIE-MAUKXSAKSA-N 1 0 392.467 1.965 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476729 948383780 /nfs/dbraw/zinc/38/37/80/948383780.db2.gz NKQMHIFIUQJRIE-QAPCUYQASA-N 1 0 392.467 1.965 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCCO1)C1CC1 ZINC001573705936 948409931 /nfs/dbraw/zinc/40/99/31/948409931.db2.gz HNVPFMDMNSMWRT-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO OCCCSCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826509822 948430519 /nfs/dbraw/zinc/43/05/19/948430519.db2.gz LLANNVKXWASGOP-UHFFFAOYSA-N 1 0 376.530 1.536 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573713929 948466988 /nfs/dbraw/zinc/46/69/88/948466988.db2.gz CIBHTESVTPWFPP-GFCCVEGCSA-N 1 0 386.435 1.091 20 0 GDADRO C[C@@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573715285 948488042 /nfs/dbraw/zinc/48/80/42/948488042.db2.gz SNCGULSKHZNSLC-QWRGUYRKSA-N 1 0 383.378 1.793 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1cccnc1 ZINC001573732552 948605295 /nfs/dbraw/zinc/60/52/95/948605295.db2.gz RATRIGGCRCFVQX-QWHCGFSZSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H](C)c1cccnc1 ZINC001573739972 948626206 /nfs/dbraw/zinc/62/62/06/948626206.db2.gz JELBZIWDCZYRNY-CHWSQXEVSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001573749319 948699245 /nfs/dbraw/zinc/69/92/45/948699245.db2.gz YGDOIPQEFBNMBH-AFAVFJNCSA-N 1 0 380.456 1.141 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573749333 948700163 /nfs/dbraw/zinc/70/01/63/948700163.db2.gz YMFULDQENAOBKI-FPMFFAJLSA-N 1 0 384.419 1.200 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)c1cccnc1 ZINC001573751902 948707126 /nfs/dbraw/zinc/70/71/26/948707126.db2.gz HOJVMNYJWGNMRE-BPQTVZERSA-N 1 0 389.463 1.612 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573752266 948711935 /nfs/dbraw/zinc/71/19/35/948711935.db2.gz LZKMFIUKHUFKCZ-ZLIFDBKOSA-N 1 0 380.456 1.141 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)C(F)(F)F ZINC001573752302 948713000 /nfs/dbraw/zinc/71/30/00/948713000.db2.gz MRJHDDXQFKCHFS-BXSSEVMYSA-N 1 0 386.403 1.673 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)C(F)(F)F ZINC001573753373 948717147 /nfs/dbraw/zinc/71/71/47/948717147.db2.gz SMPHIFKCZYIUTQ-QQUHWDOBSA-N 1 0 380.374 1.612 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)n1cccc1 ZINC001573753744 948720743 /nfs/dbraw/zinc/72/07/43/948720743.db2.gz XVFLRJHZOFFICC-DAXOMENPSA-N 1 0 383.431 1.805 20 0 GDADRO CC(C)c1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1 ZINC001574418127 948772796 /nfs/dbraw/zinc/77/27/96/948772796.db2.gz RTJVHWKIBZXZJP-INIZCTEOSA-N 1 0 383.456 1.199 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574916634 948782143 /nfs/dbraw/zinc/78/21/43/948782143.db2.gz GGPBOJUWYVYMEG-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccn(C)n1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574916700 948788085 /nfs/dbraw/zinc/78/80/85/948788085.db2.gz HTKHHMQODNAWTR-LBPRGKRZSA-N 1 0 388.501 1.231 20 0 GDADRO CC(C)c1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574420197 948792688 /nfs/dbraw/zinc/79/26/88/948792688.db2.gz PTHHIXYEDHGJIV-HWWDLCQESA-N 1 0 392.467 1.573 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001573756145 948799980 /nfs/dbraw/zinc/79/99/80/948799980.db2.gz MFOOCSVHXWCDJE-POZUXBRTSA-N 1 0 392.463 1.729 20 0 GDADRO CC(C)[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001574080742 948802480 /nfs/dbraw/zinc/80/24/80/948802480.db2.gz MUNFBXACJRQRMS-HFBAOOFYSA-N 1 0 378.427 1.936 20 0 GDADRO CC(C)c1ccoc1C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574421950 948826306 /nfs/dbraw/zinc/82/63/06/948826306.db2.gz RZOSEHGZXJNWCJ-HNNXBMFYSA-N 1 0 384.440 1.464 20 0 GDADRO CC(C)(C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573761153 948837014 /nfs/dbraw/zinc/83/70/14/948837014.db2.gz DZCGZRUCCDJZJX-UHFFFAOYSA-N 1 0 390.463 1.353 20 0 GDADRO CC(C)c1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)o1 ZINC001574424338 948849845 /nfs/dbraw/zinc/84/98/45/948849845.db2.gz LBBMZOJTFBRSIV-AULYBMBSSA-N 1 0 384.444 1.604 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001574918789 948858214 /nfs/dbraw/zinc/85/82/14/948858214.db2.gz QLYVQRQYBKZKBK-AWEZNQCLSA-N 1 0 387.492 1.087 20 0 GDADRO CC(F)(F)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575229962 948865146 /nfs/dbraw/zinc/86/51/46/948865146.db2.gz XGSFDUJPTFUIJM-GFCCVEGCSA-N 1 0 382.390 1.989 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001574684601 948877430 /nfs/dbraw/zinc/87/74/30/948877430.db2.gz IPZRVEJCIWZAJX-NSHDSACASA-N 1 0 392.895 1.706 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574684751 948881687 /nfs/dbraw/zinc/88/16/87/948881687.db2.gz MAJMWBPNJYTWBQ-NSHDSACASA-N 1 0 376.440 1.049 20 0 GDADRO C[C@H](CNC(=O)CCc1nccs1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920296 948893972 /nfs/dbraw/zinc/89/39/72/948893972.db2.gz HXLCGEAAVHJNEZ-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574685225 948903027 /nfs/dbraw/zinc/90/30/27/948903027.db2.gz TWFGAJHRDDPRQV-ZWNOBZJWSA-N 1 0 378.868 1.316 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920707 948910086 /nfs/dbraw/zinc/91/00/86/948910086.db2.gz OWERTKNJKKCHAL-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO CC(C)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001574089013 948940817 /nfs/dbraw/zinc/94/08/17/948940817.db2.gz FQRVHJNIGJKSNR-JLOCXQCDSA-N 1 0 384.459 1.844 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574433125 948945206 /nfs/dbraw/zinc/94/52/06/948945206.db2.gz IEUSXBQLNBLTTJ-LLVKDONJSA-N 1 0 388.501 1.693 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2)C(F)F ZINC001573772091 948951655 /nfs/dbraw/zinc/95/16/55/948951655.db2.gz QHIRSDDCVCBNKC-STQMWFEESA-N 1 0 391.426 1.814 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574433618 948960490 /nfs/dbraw/zinc/96/04/90/948960490.db2.gz ZEFBSMYNILYDDS-LLVKDONJSA-N 1 0 386.485 1.750 20 0 GDADRO CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001574090259 948980737 /nfs/dbraw/zinc/98/07/37/948980737.db2.gz MKBJWUNXLLMKGC-KGZPDETFSA-N 1 0 381.484 1.839 20 0 GDADRO C[C@H](F)CC[NH+]1CCC2(CC1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CCO2 ZINC001575242702 948988466 /nfs/dbraw/zinc/98/84/66/948988466.db2.gz KFLDGLNHVWEVTK-ZDUSSCGKSA-N 1 0 391.451 1.250 20 0 GDADRO CC(C)(C(=O)NC1CN(Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+]1CCCC1 ZINC001573773651 948989944 /nfs/dbraw/zinc/98/99/44/948989944.db2.gz OMJIYZOVFHSLGW-UHFFFAOYSA-N 1 0 375.502 1.103 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCC1 ZINC001573773632 948991035 /nfs/dbraw/zinc/99/10/35/948991035.db2.gz NZSJGSXBFAWZRP-CQSZACIVSA-N 1 0 384.488 1.221 20 0 GDADRO CC(C)(C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[NH+]1CCCC1 ZINC001573774540 949012214 /nfs/dbraw/zinc/01/22/14/949012214.db2.gz UWTSHLBCELZVMY-UHFFFAOYSA-N 1 0 384.488 1.221 20 0 GDADRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001574091362 949013328 /nfs/dbraw/zinc/01/33/28/949013328.db2.gz KPHKIYIOQFXDBW-BZSNNMDCSA-N 1 0 384.484 1.621 20 0 GDADRO C[C@H](CNC(=O)C[NH+]1CCCC1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926802 949019568 /nfs/dbraw/zinc/01/95/68/949019568.db2.gz XTDNJCAFKSBQMW-LLVKDONJSA-N 1 0 378.868 1.175 20 0 GDADRO CC(C)(C(=O)NC1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)[NH+]1CCCC1 ZINC001573774785 949022844 /nfs/dbraw/zinc/02/28/44/949022844.db2.gz VWJKJHMNPWXZCK-UHFFFAOYSA-N 1 0 387.463 1.181 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001574692691 949035482 /nfs/dbraw/zinc/03/54/82/949035482.db2.gz ANGODRRXZALCCZ-RHSMWYFYSA-N 1 0 386.504 1.641 20 0 GDADRO CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001573779231 949054481 /nfs/dbraw/zinc/05/44/81/949054481.db2.gz DROJOGAEODBGQC-SFHVURJKSA-N 1 0 390.513 1.417 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1ncccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574694142 949067029 /nfs/dbraw/zinc/06/70/29/949067029.db2.gz LYQGNUHFRLRHNV-GDBMZVCRSA-N 1 0 386.504 1.641 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574446089 949119826 /nfs/dbraw/zinc/11/98/26/949119826.db2.gz ICQYSAVIAUCEDP-LLVKDONJSA-N 1 0 390.469 1.525 20 0 GDADRO C[C@@H](NC(=O)C(F)F)[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575251024 949126138 /nfs/dbraw/zinc/12/61/38/949126138.db2.gz KBZGQMIFBQQOFY-ZYHUDNBSSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)(C(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccccc1 ZINC001573782710 949129962 /nfs/dbraw/zinc/12/99/62/949129962.db2.gz VTBYKBXHKNHPLB-SREVYHEPSA-N 1 0 377.452 1.746 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)n1cccn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251233 949135764 /nfs/dbraw/zinc/13/57/64/949135764.db2.gz MLIVKNOGZFXZQL-VXGBXAGGSA-N 1 0 386.485 1.322 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574698084 949175199 /nfs/dbraw/zinc/17/51/99/949175199.db2.gz FYQNAJNOEDBHRJ-NWDGAFQWSA-N 1 0 388.501 1.467 20 0 GDADRO CC(C)c1oncc1C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574448180 949178256 /nfs/dbraw/zinc/17/82/56/949178256.db2.gz FAFLWIMLJBUQBM-LBPRGKRZSA-N 1 0 382.428 1.512 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1c[nH]cn1 ZINC001573787622 949188342 /nfs/dbraw/zinc/18/83/42/949188342.db2.gz ZRRKOODIRZINPS-PHIMTYICSA-N 1 0 386.485 1.366 20 0 GDADRO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001575253603 949194258 /nfs/dbraw/zinc/19/42/58/949194258.db2.gz KXOCFYWDEXZWKT-VXGBXAGGSA-N 1 0 375.452 1.653 20 0 GDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575515905 949197419 /nfs/dbraw/zinc/19/74/19/949197419.db2.gz MUPYKGVPTYDDDG-YJYMSZOUSA-N 1 0 381.440 1.123 20 0 GDADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575515903 949198778 /nfs/dbraw/zinc/19/87/78/949198778.db2.gz MUPYKGVPTYDDDG-DJJJIMSYSA-N 1 0 381.440 1.123 20 0 GDADRO C[C@H](CNC(=O)Cc1cc(F)ccc1F)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574936166 949210642 /nfs/dbraw/zinc/21/06/42/949210642.db2.gz HUJAGPHWDMCWPF-NSHDSACASA-N 1 0 387.394 1.369 20 0 GDADRO C[C@@H](c1cnccn1)[NH+]1CCC(C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001575516935 949216702 /nfs/dbraw/zinc/21/67/02/949216702.db2.gz RSQSZRUIDZWBCZ-LBPRGKRZSA-N 1 0 381.444 1.330 20 0 GDADRO C[C@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576151507 949228688 /nfs/dbraw/zinc/22/86/88/949228688.db2.gz GCRIOWRJWBYOCH-AJNGGQMLSA-N 1 0 385.472 1.338 20 0 GDADRO C[C@H](CNC(=O)Cc1cc(C2CC2)no1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574938131 949235325 /nfs/dbraw/zinc/23/53/25/949235325.db2.gz SODLOUVBUATCAA-GFCCVEGCSA-N 1 0 381.440 1.569 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574699710 949243903 /nfs/dbraw/zinc/24/39/03/949243903.db2.gz VXUQYNFTBMLUEU-STQMWFEESA-N 1 0 390.463 1.757 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](C)Nc1ncccc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001574700272 949255720 /nfs/dbraw/zinc/25/57/20/949255720.db2.gz YOZSGWHDYGZGFE-LSDHHAIUSA-N 1 0 386.504 1.785 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574701458 949259287 /nfs/dbraw/zinc/25/92/87/949259287.db2.gz ABZRRHOEDOXFEF-ORAYPTAESA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575521613 949261358 /nfs/dbraw/zinc/26/13/58/949261358.db2.gz HTPBRKXLPSXWRX-UHYGZKCKSA-N 1 0 393.455 1.330 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(F)CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574701753 949267722 /nfs/dbraw/zinc/26/77/22/949267722.db2.gz CMTOLCQJBVRIIH-NSHDSACASA-N 1 0 382.465 1.383 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(C)CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574702095 949276163 /nfs/dbraw/zinc/27/61/63/949276163.db2.gz GNUISAOTTHBGDV-KZULUSFZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)C1(C)CCOCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574702382 949278331 /nfs/dbraw/zinc/27/83/31/949278331.db2.gz IALCIHSXIAOZBK-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](NC(=O)C1=COCCC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575257771 949284258 /nfs/dbraw/zinc/28/42/58/949284258.db2.gz BRXIUIZOVJERLJ-LBPRGKRZSA-N 1 0 386.431 1.637 20 0 GDADRO CC(C)(C)C(=O)C(=O)NC1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573793392 949298426 /nfs/dbraw/zinc/29/84/26/949298426.db2.gz RSLFBIPQNBBWBV-UHFFFAOYSA-N 1 0 384.484 1.999 20 0 GDADRO CC(C)CC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574108991 949310757 /nfs/dbraw/zinc/31/07/57/949310757.db2.gz UAISKWNHDNFIIU-KRWDZBQOSA-N 1 0 378.502 1.417 20 0 GDADRO C[C@@H](c1ncccn1)[N@H+](C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575524600 949321894 /nfs/dbraw/zinc/32/18/94/949321894.db2.gz UXISXQRBIDCDGJ-LBPRGKRZSA-N 1 0 381.444 1.282 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(C)CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574703355 949324130 /nfs/dbraw/zinc/32/41/30/949324130.db2.gz UTUBPJNSKQDAGU-SGTLLEGYSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)C1(C(F)F)CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574703382 949327373 /nfs/dbraw/zinc/32/73/73/949327373.db2.gz VDYDIYMZBYDBAR-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)n1ccc(C(=O)NCC[C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)n1 ZINC001574457665 949329415 /nfs/dbraw/zinc/32/94/15/949329415.db2.gz MHHRKCIOQQRFJK-AWEZNQCLSA-N 1 0 382.472 1.942 20 0 GDADRO CC(C)n1ccc(C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001574457786 949332151 /nfs/dbraw/zinc/33/21/51/949332151.db2.gz OEEXGOYNHNHGMY-ZDUSSCGKSA-N 1 0 381.444 1.035 20 0 GDADRO CC(C)n1ccc(CC(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001574459599 949364326 /nfs/dbraw/zinc/36/43/26/949364326.db2.gz JTAYIWHYWLBGBZ-GFCCVEGCSA-N 1 0 388.501 1.543 20 0 GDADRO C[C@@H]1CCCC[C@]1(CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccon1 ZINC001576155292 949392825 /nfs/dbraw/zinc/39/28/25/949392825.db2.gz HTPFAOBSJCIPCK-KZULUSFZSA-N 1 0 382.428 1.462 20 0 GDADRO CC(C)n1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001574464185 949403427 /nfs/dbraw/zinc/40/34/27/949403427.db2.gz IMSIXBSRXQRGIC-GFCCVEGCSA-N 1 0 386.485 1.710 20 0 GDADRO CC(C)(C)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCOCC1 ZINC001573802551 949420523 /nfs/dbraw/zinc/42/05/23/949420523.db2.gz IATPRFGZGVSKAW-UHFFFAOYSA-N 1 0 378.502 1.729 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001574705314 949422530 /nfs/dbraw/zinc/42/25/30/949422530.db2.gz HUKQHWYBVSTIDK-CQSZACIVSA-N 1 0 386.504 1.641 20 0 GDADRO CC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1 ZINC001573803301 949439462 /nfs/dbraw/zinc/43/94/62/949439462.db2.gz QGRFHNLUIHHEMX-HNNXBMFYSA-N 1 0 390.463 1.759 20 0 GDADRO CC1(C(=O)N2CCC(O)(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC001575535743 949452721 /nfs/dbraw/zinc/45/27/21/949452721.db2.gz ALOISURDZBSAMX-UHFFFAOYSA-N 1 0 384.484 1.500 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574706485 949457873 /nfs/dbraw/zinc/45/78/73/949457873.db2.gz ZALYICJVQHPDDF-JSGCOSHPSA-N 1 0 390.513 1.681 20 0 GDADRO CC(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574117477 949470943 /nfs/dbraw/zinc/47/09/43/949470943.db2.gz VMGVGWOQSGNCPS-GOSISDBHSA-N 1 0 376.436 1.105 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574469736 949481932 /nfs/dbraw/zinc/48/19/32/949481932.db2.gz GKIQINRGFIAFKA-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)n1nccc1C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001574470155 949489711 /nfs/dbraw/zinc/48/97/11/949489711.db2.gz NUBBHOMMWURDPG-UHFFFAOYSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575872118 949533421 /nfs/dbraw/zinc/53/34/21/949533421.db2.gz GPNUBYSUHIMSTK-CJNGLKHVSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574711845 949559163 /nfs/dbraw/zinc/55/91/63/949559163.db2.gz NEIWXMKYJGDWBG-AUUYWEPGSA-N 1 0 392.463 1.807 20 0 GDADRO CC1(C(=O)N2CCC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575540842 949573115 /nfs/dbraw/zinc/57/31/15/949573115.db2.gz ZKSIYUWYUMNGSX-CQSZACIVSA-N 1 0 385.472 1.151 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cncnc1 ZINC001573810617 949573019 /nfs/dbraw/zinc/57/30/19/949573019.db2.gz BATZXFWXRCYXMI-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C1CCOCC1 ZINC001573810950 949586817 /nfs/dbraw/zinc/58/68/17/949586817.db2.gz FXPBRPVMTMOSLA-KRWDZBQOSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001574476294 949598642 /nfs/dbraw/zinc/59/86/42/949598642.db2.gz FWDWEWGCKSDILS-LRDDRELGSA-N 1 0 390.463 1.351 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cncc(F)c1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573811591 949602930 /nfs/dbraw/zinc/60/29/30/949602930.db2.gz MFVLVMSTYPBPAU-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574957192 949604223 /nfs/dbraw/zinc/60/42/23/949604223.db2.gz SCYQCYHNDGMASZ-JECHBYEQSA-N 1 0 388.447 1.415 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCCO1 ZINC001573811719 949605279 /nfs/dbraw/zinc/60/52/79/949605279.db2.gz NCICTOBVFOQXHP-GXTWGEPZSA-N 1 0 378.502 1.728 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCOC1 ZINC001573811597 949605927 /nfs/dbraw/zinc/60/59/27/949605927.db2.gz MHFZHCNNOOVTKH-SMDDNHRTSA-N 1 0 378.502 1.585 20 0 GDADRO CC1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC001575545691 949605977 /nfs/dbraw/zinc/60/59/77/949605977.db2.gz NFHWYBOSQINTPU-QGZVFWFLSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575270937 949606656 /nfs/dbraw/zinc/60/66/56/949606656.db2.gz HOPQDPIJLPCPTN-STQMWFEESA-N 1 0 390.467 1.582 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574713705 949611375 /nfs/dbraw/zinc/61/13/75/949611375.db2.gz BIXFJNIYAWBKBV-CHWSQXEVSA-N 1 0 375.452 1.606 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCCOC1 ZINC001573812645 949620454 /nfs/dbraw/zinc/62/04/54/949620454.db2.gz SODMKFQTQHTUAG-SWLSCSKDSA-N 1 0 392.529 1.975 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccon1 ZINC001573812798 949622647 /nfs/dbraw/zinc/62/26/47/949622647.db2.gz UCBREEUTFVBAGF-OAHLLOKOSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cnco1 ZINC001573813191 949625248 /nfs/dbraw/zinc/62/52/48/949625248.db2.gz WOHOENXVBHOHBN-HNNXBMFYSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575875141 949628733 /nfs/dbraw/zinc/62/87/33/949628733.db2.gz HKGWPFLIKWWEGL-KBXCAEBGSA-N 1 0 379.468 1.907 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574714496 949628962 /nfs/dbraw/zinc/62/89/62/949628962.db2.gz DSVNPMBUMYAMHL-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccn[nH]1 ZINC001573813526 949633233 /nfs/dbraw/zinc/63/32/33/949633233.db2.gz ZQWWABRVVLUMFZ-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574957772 949633352 /nfs/dbraw/zinc/63/33/52/949633352.db2.gz ICGRKIYMMIMNOB-LSDHHAIUSA-N 1 0 379.468 1.727 20 0 GDADRO C[C@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575876749 949653165 /nfs/dbraw/zinc/65/31/65/949653165.db2.gz KKHHLEVSWGLNOB-XJKSGUPXSA-N 1 0 384.488 1.220 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574958302 949666121 /nfs/dbraw/zinc/66/61/21/949666121.db2.gz INGOZYNOQIQFCV-DOPJRALCSA-N 1 0 384.484 1.524 20 0 GDADRO C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1c1ncc(-c2nn[nH]n2)cc1F ZINC001575877682 949668431 /nfs/dbraw/zinc/66/84/31/949668431.db2.gz MIFLJNLFUBBBTL-SWLSCSKDSA-N 1 0 390.467 1.216 20 0 GDADRO C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4-c4nn[nH]n4)C[C@@H]3C2)CCOC1 ZINC001575552207 949679141 /nfs/dbraw/zinc/67/91/41/949679141.db2.gz CWCGXXOXWQEDEK-YRNRMSPPSA-N 1 0 382.468 1.184 20 0 GDADRO CC1(C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)CC(F)(F)C1 ZINC001575552189 949679407 /nfs/dbraw/zinc/67/94/07/949679407.db2.gz BUMRBGDFFUSWNQ-TXEJJXNPSA-N 1 0 389.410 1.592 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574958576 949682175 /nfs/dbraw/zinc/68/21/75/949682175.db2.gz LMUYLGXBEQWOPZ-RAIGVLPGSA-N 1 0 386.485 1.060 20 0 GDADRO C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576169770 949693831 /nfs/dbraw/zinc/69/38/31/949693831.db2.gz IABWUYWDUSIXDA-RHSMWYFYSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574959402 949713379 /nfs/dbraw/zinc/71/33/79/949713379.db2.gz RHYYSPZJWLMPRA-JEBQAFNWSA-N 1 0 377.452 1.660 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1ccc(-c2nn[nH]n2)cn1 ZINC001576170348 949715789 /nfs/dbraw/zinc/71/57/89/949715789.db2.gz KLRQTRATASKEJQ-GDBMZVCRSA-N 1 0 386.504 1.643 20 0 GDADRO C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C[NH2+]Cc1cncs1 ZINC001576170642 949728753 /nfs/dbraw/zinc/72/87/53/949728753.db2.gz MEUDCGJAXGRAGR-NHYWBVRUSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575881675 949730524 /nfs/dbraw/zinc/73/05/24/949730524.db2.gz ZNQKGDGLWNPDJK-HNAYVOBHSA-N 1 0 391.479 1.974 20 0 GDADRO CC(C)C[C@@H](C)CC(=O)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574137883 949771928 /nfs/dbraw/zinc/77/19/28/949771928.db2.gz YOYRBQQRZDRFGT-HUUCEWRRSA-N 1 0 387.488 1.395 20 0 GDADRO C[C@@]1(C(=O)NC2CC3(C2)CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C3)C=CCC1 ZINC001575560195 949781345 /nfs/dbraw/zinc/78/13/45/949781345.db2.gz MEDRACKPDXUQIX-LDOBDJHISA-N 1 0 379.468 1.879 20 0 GDADRO C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574964821 949787110 /nfs/dbraw/zinc/78/71/10/949787110.db2.gz AEFPRSMMJCUMFW-LBPRGKRZSA-N 1 0 382.472 1.795 20 0 GDADRO C[C@@H](NC(=O)COc1ccccc1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575281203 949802688 /nfs/dbraw/zinc/80/26/88/949802688.db2.gz DSNKNZMEDTYGDQ-OAHLLOKOSA-N 1 0 392.463 1.882 20 0 GDADRO C[C@H](CN(C)C(=O)CCCn1ccnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574720840 949802915 /nfs/dbraw/zinc/80/29/15/949802915.db2.gz IBLOABDIFTWKIR-OAHLLOKOSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@H](CN(C)C(=O)CCCc1ccccn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574721176 949808539 /nfs/dbraw/zinc/80/85/39/949808539.db2.gz JZKHVPTZJXYIDA-CQSZACIVSA-N 1 0 380.456 1.360 20 0 GDADRO C[C@@H](CNC(=O)c1c(Cl)cnn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574966011 949835266 /nfs/dbraw/zinc/83/52/66/949835266.db2.gz RPAQKAHOXHCICF-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CN(C)C(=O)CCn1cccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574723936 949859909 /nfs/dbraw/zinc/85/99/09/949859909.db2.gz CDTJLDRLNFLFMW-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H](CN(C)C(=O)CCn1cccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574723937 949862739 /nfs/dbraw/zinc/86/27/39/949862739.db2.gz CDTJLDRLNFLFMW-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H](NC(=O)CCn1cccn1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283389 949869072 /nfs/dbraw/zinc/86/90/72/949869072.db2.gz 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CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cc[nH]n1 ZINC001574151867 950099164 /nfs/dbraw/zinc/09/91/64/950099164.db2.gz ZUIYUHVIEGASBR-ZDUSSCGKSA-N 1 0 388.501 1.515 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cc[nH]n1 ZINC001574151866 950099781 /nfs/dbraw/zinc/09/97/81/950099781.db2.gz ZUIYUHVIEGASBR-CYBMUJFWSA-N 1 0 388.501 1.515 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cc[nH]n2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576183723 950100058 /nfs/dbraw/zinc/10/00/58/950100058.db2.gz TWJYYXHWWANIQH-CXAGYDPISA-N 1 0 380.456 1.620 20 0 GDADRO C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576183886 950105116 /nfs/dbraw/zinc/10/51/16/950105116.db2.gz SAEYZTBVLNJNKB-WMLDXEAASA-N 1 0 386.500 1.602 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001574493021 950111729 /nfs/dbraw/zinc/11/17/29/950111729.db2.gz QSGHFMANHFHRMA-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574152574 950114267 /nfs/dbraw/zinc/11/42/67/950114267.db2.gz GMIHNOTVFDZKDJ-OAHLLOKOSA-N 1 0 386.504 1.689 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOC1 ZINC001575582468 950115049 /nfs/dbraw/zinc/11/50/49/950115049.db2.gz CXHBHBMZDLXQHT-UZLBHIALSA-N 1 0 384.484 1.622 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ccncn1 ZINC001574152880 950120981 /nfs/dbraw/zinc/12/09/81/950120981.db2.gz LDQDQSAEJFTKMV-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574734143 950128327 /nfs/dbraw/zinc/12/83/27/950128327.db2.gz JUORSIYXTBLONE-LTUQZUHASA-N 1 0 382.468 1.227 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ncccn1 ZINC001574153108 950130205 /nfs/dbraw/zinc/13/02/05/950130205.db2.gz MSKIDJBOFOXKPO-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575896816 950134901 /nfs/dbraw/zinc/13/49/01/950134901.db2.gz NRXGOMSWJKCJNC-RISCZKNCSA-N 1 0 386.485 1.445 20 0 GDADRO CC(C)(C)CC(=O)NCC[NH+]1CCC(Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001573839807 950135216 /nfs/dbraw/zinc/13/52/16/950135216.db2.gz XGOZHWVWBIITHT-UHFFFAOYSA-N 1 0 386.504 1.690 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574153289 950137494 /nfs/dbraw/zinc/13/74/94/950137494.db2.gz QZGNZOOAXMKFJN-DZJNRPSUSA-N 1 0 384.484 1.380 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576185020 950152534 /nfs/dbraw/zinc/15/25/34/950152534.db2.gz YSXFPGMIXYVILX-FZMZJTMJSA-N 1 0 387.469 1.947 20 0 GDADRO C[C@@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575584007 950159083 /nfs/dbraw/zinc/15/90/83/950159083.db2.gz OGKNNZRXAHZSNQ-PWGQDJSOSA-N 1 0 390.513 1.729 20 0 GDADRO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574154528 950173590 /nfs/dbraw/zinc/17/35/90/950173590.db2.gz FFHLAUCBEJAHPR-VNQPRFMTSA-N 1 0 386.504 1.545 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)cc(F)c2)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575899908 950186477 /nfs/dbraw/zinc/18/64/77/950186477.db2.gz AWVLAYYCCSNFGR-QMTHXVAHSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2ncccn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575900654 950202484 /nfs/dbraw/zinc/20/24/84/950202484.db2.gz HBWNETIZMZDSBD-BBRMVZONSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC001574495687 950206704 /nfs/dbraw/zinc/20/67/04/950206704.db2.gz UPCSPLFDPLAYAJ-ZWNOBZJWSA-N 1 0 386.378 1.022 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574157391 950232291 /nfs/dbraw/zinc/23/22/91/950232291.db2.gz AHHIPFLXOKRECR-KUHUBIRLSA-N 1 0 387.488 1.443 20 0 GDADRO CC(C)(C)CC[NH2+]C1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573846305 950245108 /nfs/dbraw/zinc/24/51/08/950245108.db2.gz PZZRLOMMTOSCBI-UHFFFAOYSA-N 1 0 388.520 1.415 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)COC(C)(C)C ZINC001575902079 950252046 /nfs/dbraw/zinc/25/20/46/950252046.db2.gz SCZYNKLTNNDJJL-MLGOLLRUSA-N 1 0 390.463 1.900 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]nc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574741826 950258454 /nfs/dbraw/zinc/25/84/54/950258454.db2.gz DPRQIMZOJGGELT-LBPRGKRZSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(CO)cc2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575904669 950284233 /nfs/dbraw/zinc/28/42/33/950284233.db2.gz ABLKTAIKGDWEHK-MLGOLLRUSA-N 1 0 381.440 1.080 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccn(C)c1 ZINC001575905175 950289700 /nfs/dbraw/zinc/28/97/00/950289700.db2.gz BUITWGFRVIEWNG-SJKOYZFVSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1ccoc1 ZINC001575905487 950295450 /nfs/dbraw/zinc/29/54/50/950295450.db2.gz DDQUNTDARUZCDD-SJKOYZFVSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCc1c[nH]cn1 ZINC001575905768 950300733 /nfs/dbraw/zinc/30/07/33/950300733.db2.gz FEYBVOTUWXLYSE-SMDDNHRTSA-N 1 0 386.485 1.363 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001574499207 950301093 /nfs/dbraw/zinc/30/10/93/950301093.db2.gz TXCXWTWFIJQZSZ-ABAIWWIYSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906045 950302017 /nfs/dbraw/zinc/30/20/17/950302017.db2.gz GIOKINOGPQODRY-BXKDBHETSA-N 1 0 375.433 1.788 20 0 GDADRO C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCCO1 ZINC001574499882 950309534 /nfs/dbraw/zinc/30/95/34/950309534.db2.gz XLNQFCVOUDASLL-YOEHRIQHSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CCCO1 ZINC001574499878 950310076 /nfs/dbraw/zinc/31/00/76/950310076.db2.gz XLNQFCVOUDASLL-RHSMWYFYSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccco1 ZINC001574500365 950313741 /nfs/dbraw/zinc/31/37/41/950313741.db2.gz ZUSJLZDWEUDYLI-VXGBXAGGSA-N 1 0 390.469 1.282 20 0 GDADRO C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C[NH2+]Cc1nccs1 ZINC001576193968 950323009 /nfs/dbraw/zinc/32/30/09/950323009.db2.gz XBOWNMIIWOMLSD-WCQYABFASA-N 1 0 386.485 1.539 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574501245 950323550 /nfs/dbraw/zinc/32/35/50/950323550.db2.gz CCQAYXGMLPOTAL-HUUCEWRRSA-N 1 0 392.467 1.793 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cccn1C ZINC001575907156 950325972 /nfs/dbraw/zinc/32/59/72/950325972.db2.gz LYVPIJVDRMGULV-BLLLJJGKSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cscn1 ZINC001575907385 950336107 /nfs/dbraw/zinc/33/61/07/950336107.db2.gz NUGKDRUWDWCBLJ-KOLCDFICSA-N 1 0 375.483 1.778 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cnsn1 ZINC001575907786 950342848 /nfs/dbraw/zinc/34/28/48/950342848.db2.gz QRIGPJXQMYQCMC-TVQRCGJNSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574744274 950348603 /nfs/dbraw/zinc/34/86/03/950348603.db2.gz YFXYGFXVBNKEOL-ICCXJUOJSA-N 1 0 382.390 1.844 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574744268 950348890 /nfs/dbraw/zinc/34/88/90/950348890.db2.gz YFCIQLIHMXXACD-NQYLQCIDSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575908173 950357696 /nfs/dbraw/zinc/35/76/96/950357696.db2.gz ASJFRKHDAWZHFS-WBMJQRKESA-N 1 0 392.467 1.860 20 0 GDADRO C[C@@]1(C(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575595677 950360971 /nfs/dbraw/zinc/36/09/71/950360971.db2.gz PUAIISRSIKNTAX-MGPUTAFESA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CC1CCOCC1 ZINC001575908270 950361186 /nfs/dbraw/zinc/36/11/86/950361186.db2.gz TYJKUANTZOFHSC-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574744745 950362985 /nfs/dbraw/zinc/36/29/85/950362985.db2.gz ALWULZWOUAKDBN-JTQLQIEISA-N 1 0 390.398 1.778 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3ncccc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001576196479 950365899 /nfs/dbraw/zinc/36/58/99/950365899.db2.gz FEAVWQNKLFLLLU-DZGCQCFKSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3ncccc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001576196480 950367406 /nfs/dbraw/zinc/36/74/06/950367406.db2.gz FEAVWQNKLFLLLU-HIFRSBDPSA-N 1 0 384.488 1.252 20 0 GDADRO CC1CC[NH+](CC(=O)N2CC[C@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)CC1 ZINC001576196919 950378902 /nfs/dbraw/zinc/37/89/02/950378902.db2.gz JASXCDMNVREIES-AWEZNQCLSA-N 1 0 387.463 1.751 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3ccc(-c4nn[nH]n4)nc3)C(C)(C)C2)C1 ZINC001576197258 950381770 /nfs/dbraw/zinc/38/17/70/950381770.db2.gz MEMFNXAPYAOYIG-XJKSGUPXSA-N 1 0 384.488 1.252 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C)n1 ZINC001575909071 950387741 /nfs/dbraw/zinc/38/77/41/950387741.db2.gz FODOMCKEAYXNDK-TZMCWYRMSA-N 1 0 383.460 1.365 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H](O)C1CCCCC1 ZINC001574746214 950389379 /nfs/dbraw/zinc/38/93/79/950389379.db2.gz MSJSXRBNCABSFT-LRDDRELGSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1cncs1 ZINC001575909356 950394653 /nfs/dbraw/zinc/39/46/53/950394653.db2.gz YWHKKGYJWOPRDV-GXFFZTMASA-N 1 0 389.510 1.706 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575597042 950400066 /nfs/dbraw/zinc/40/00/66/950400066.db2.gz LJMVLSDJVJWOAF-KPAZRMRSSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001576198063 950404206 /nfs/dbraw/zinc/40/42/06/950404206.db2.gz RLGREPRSMLIVDD-AWEZNQCLSA-N 1 0 389.479 1.632 20 0 GDADRO CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575597291 950406241 /nfs/dbraw/zinc/40/62/41/950406241.db2.gz ODJJIVIPSCUESM-FZNQNYSPSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1ccccn1 ZINC001575909847 950408710 /nfs/dbraw/zinc/40/87/10/950408710.db2.gz IMXCUFBFOGGHEG-BEFAXECRSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3ncccc3-c3nn[nH]n3)C2)C1 ZINC001576198488 950409929 /nfs/dbraw/zinc/40/99/29/950409929.db2.gz TZJYZFUVTQAGBA-CABCVRRESA-N 1 0 384.488 1.254 20 0 GDADRO C[C@H]1[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575910446 950415835 /nfs/dbraw/zinc/41/58/35/950415835.db2.gz LBKCYLBNRCIDHT-XJKSGUPXSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575910467 950421693 /nfs/dbraw/zinc/42/16/93/950421693.db2.gz LBUHOBCZAIFQRY-HOCLYGCPSA-N 1 0 384.488 1.539 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001576202555 950432106 /nfs/dbraw/zinc/43/21/06/950432106.db2.gz AVJMSHZKQUGYCA-MRXNPFEDSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001574506671 950440525 /nfs/dbraw/zinc/44/05/25/950440525.db2.gz BPOBIFMPLQHDQW-LSDHHAIUSA-N 1 0 382.472 1.699 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCCOC1 ZINC001575605734 950475800 /nfs/dbraw/zinc/47/58/00/950475800.db2.gz RDLZSOFWHAHOMD-KHYOSLBOSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCC2CC(Nc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204807 950479458 /nfs/dbraw/zinc/47/94/58/950479458.db2.gz CQOBEBVMNZRGNJ-DCBWTQNWSA-N 1 0 388.451 1.049 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574752467 950486896 /nfs/dbraw/zinc/48/68/96/950486896.db2.gz XDIHSGRUQVEFGN-CYBMUJFWSA-N 1 0 379.468 1.934 20 0 GDADRO CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1F)C2 ZINC001573863771 950489504 /nfs/dbraw/zinc/48/95/04/950489504.db2.gz PVYCGLRSSPPSBV-LIRRHRJNSA-N 1 0 389.431 1.796 20 0 GDADRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001574167650 950490431 /nfs/dbraw/zinc/49/04/31/950490431.db2.gz GWWWXEGZIJZDJT-ROUUACIJSA-N 1 0 383.500 1.706 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)Nc1ncccc1-c1nn[nH]n1 ZINC001576205168 950497238 /nfs/dbraw/zinc/49/72/38/950497238.db2.gz VVZNYADXXQJYQT-LSDHHAIUSA-N 1 0 386.504 1.689 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573867264 950524520 /nfs/dbraw/zinc/52/45/20/950524520.db2.gz SMVDMZRLRFMCOQ-CQSZACIVSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1ccnc1 ZINC001574509805 950529042 /nfs/dbraw/zinc/52/90/42/950529042.db2.gz YANNCWFINLDVML-QWHCGFSZSA-N 1 0 386.435 1.448 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573867321 950530567 /nfs/dbraw/zinc/53/05/67/950530567.db2.gz VVWQHFTXRHJOIH-GFCCVEGCSA-N 1 0 378.502 1.824 20 0 GDADRO C[C@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575916859 950547720 /nfs/dbraw/zinc/54/77/20/950547720.db2.gz SSNWBNONICXYNZ-STQMWFEESA-N 1 0 387.492 1.036 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)cn1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574999016 950563937 /nfs/dbraw/zinc/56/39/37/950563937.db2.gz CXAKQFAPHBGLGY-JTQLQIEISA-N 1 0 391.838 1.906 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C2CC2)C1 ZINC001576206922 950584074 /nfs/dbraw/zinc/58/40/74/950584074.db2.gz ZPZCTCMFUQBSOI-MLGOLLRUSA-N 1 0 387.463 1.654 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575000064 950594863 /nfs/dbraw/zinc/59/48/63/950594863.db2.gz AEXAPDXQHYVLTK-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575000182 950597411 /nfs/dbraw/zinc/59/74/11/950597411.db2.gz BESZXBPOUCCNSM-ZDUSSCGKSA-N 1 0 379.468 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)on1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575000192 950598584 /nfs/dbraw/zinc/59/85/84/950598584.db2.gz PPCXYRZUUMTEGV-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)(C)OCC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001573870856 950604646 /nfs/dbraw/zinc/60/46/46/950604646.db2.gz YJXSCWRBKAUEDP-NVXWUHKLSA-N 1 0 384.484 1.715 20 0 GDADRO CC(C)CCC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574173856 950606208 /nfs/dbraw/zinc/60/62/08/950606208.db2.gz OJOADCMOUHTLQF-SFHVURJKSA-N 1 0 392.529 1.808 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccncc1F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574758576 950612356 /nfs/dbraw/zinc/61/23/56/950612356.db2.gz DPWKYARMGYNLHA-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573871398 950617075 /nfs/dbraw/zinc/61/70/75/950617075.db2.gz PQWYKXMCNBHIKK-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575001108 950622073 /nfs/dbraw/zinc/62/20/73/950622073.db2.gz SORNSYFPXWKSND-SNVBAGLBSA-N 1 0 390.398 1.778 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1ccnc1 ZINC001574515144 950622351 /nfs/dbraw/zinc/62/23/51/950622351.db2.gz AHFCVIGSDGFQCT-KBRIMQKVSA-N 1 0 380.456 1.451 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1ccnc1 ZINC001574515182 950623755 /nfs/dbraw/zinc/62/37/55/950623755.db2.gz BPIHKTPALOHJLM-WKCGWZECSA-N 1 0 392.467 1.261 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573873328 950641521 /nfs/dbraw/zinc/64/15/21/950641521.db2.gz JFCKMEAZDJRVRN-NNUKFRKNSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c(s1)CCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575001866 950645171 /nfs/dbraw/zinc/64/51/71/950645171.db2.gz NSBLEAZGNZIGOJ-LLVKDONJSA-N 1 0 383.481 1.712 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1CCCO1 ZINC001574517859 950650458 /nfs/dbraw/zinc/65/04/58/950650458.db2.gz MNGASIBYPMLRPL-GUIRCDHDSA-N 1 0 390.513 1.870 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COc1ccsc1 ZINC001575923530 950662503 /nfs/dbraw/zinc/66/25/03/950662503.db2.gz BTGBIUHHLFJZGG-RISCZKNCSA-N 1 0 385.453 1.225 20 0 GDADRO CC(C)n1ccc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001574760687 950676867 /nfs/dbraw/zinc/67/68/67/950676867.db2.gz XVFOYNIYUYDBII-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001574519372 950677511 /nfs/dbraw/zinc/67/75/11/950677511.db2.gz UEBJNKVPNADVOB-UPJWGTAASA-N 1 0 386.485 1.513 20 0 GDADRO C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575926492 950714867 /nfs/dbraw/zinc/71/48/67/950714867.db2.gz XGIFYHGILVWSLQ-OCCSQVGLSA-N 1 0 385.447 1.503 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574763648 950726102 /nfs/dbraw/zinc/72/61/02/950726102.db2.gz HFHLQJNICPUXAR-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575927037 950732308 /nfs/dbraw/zinc/73/23/08/950732308.db2.gz NFCMTVPJJSWCFA-SCZZXKLOSA-N 1 0 390.860 1.509 20 0 GDADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)n1C ZINC001576216463 950738799 /nfs/dbraw/zinc/73/87/99/950738799.db2.gz ZRRALMNHPDVWTA-GOEBONIOSA-N 1 0 379.468 1.846 20 0 GDADRO CC(C)CCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574181992 950752382 /nfs/dbraw/zinc/75/23/82/950752382.db2.gz RGJMTKXAWFMUBN-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccc2[nH]ccc21 ZINC001575927732 950755146 /nfs/dbraw/zinc/75/51/46/950755146.db2.gz SYBVOHVKTODGTI-WBMJQRKESA-N 1 0 388.435 1.880 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001575008772 950756180 /nfs/dbraw/zinc/75/61/80/950756180.db2.gz HTUQDBLVWMSJNL-VHSXEESVSA-N 1 0 385.432 1.172 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cscn1 ZINC001574521238 950769151 /nfs/dbraw/zinc/76/91/51/950769151.db2.gz DNOOGDQJDSUGHP-STQMWFEESA-N 1 0 385.497 1.939 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnsn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574764974 950769713 /nfs/dbraw/zinc/76/97/13/950769713.db2.gz AXZSVTKILFMGRV-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COC1CCCCC1 ZINC001575928093 950771520 /nfs/dbraw/zinc/77/15/20/950771520.db2.gz YMYVEGFTDXMERQ-BBRMVZONSA-N 1 0 385.472 1.434 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1cncs1 ZINC001575928132 950777403 /nfs/dbraw/zinc/77/74/03/950777403.db2.gz YZBNRBAYTWRVEY-SMDDNHRTSA-N 1 0 384.469 1.174 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001575009184 950777822 /nfs/dbraw/zinc/77/78/22/950777822.db2.gz PJAYWGRRMOBZPF-IAQYHMDHSA-N 1 0 383.431 1.977 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1CCOCC1 ZINC001574521803 950785910 /nfs/dbraw/zinc/78/59/10/950785910.db2.gz HTMOWZHLLKQRQX-STQMWFEESA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(F)F)C[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576218564 950796667 /nfs/dbraw/zinc/79/66/67/950796667.db2.gz MMYBBHZNAVNGAI-CMPLNLGQSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccc[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574522887 950804864 /nfs/dbraw/zinc/80/48/64/950804864.db2.gz LPHFMZJJZDEVBP-OLZOCXBDSA-N 1 0 385.447 1.950 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574523474 950818498 /nfs/dbraw/zinc/81/84/98/950818498.db2.gz NWWHSNDLWJWCDZ-NEPJUHHUSA-N 1 0 388.501 1.277 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCc1c[nH]cn1 ZINC001574523732 950830863 /nfs/dbraw/zinc/83/08/63/950830863.db2.gz PXBCWEHLOVHJBS-KBPBESRZSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001575011112 950845909 /nfs/dbraw/zinc/84/59/09/950845909.db2.gz MUGJFHWLVVLQRH-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCc1ccon1 ZINC001574524151 950848270 /nfs/dbraw/zinc/84/82/70/950848270.db2.gz UCRYOVWJEXYUFT-UONOGXRCSA-N 1 0 383.456 1.860 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1c[nH]cn1 ZINC001574524168 950850266 /nfs/dbraw/zinc/85/02/66/950850266.db2.gz UHWAKOVSDBYYRN-NWDGAFQWSA-N 1 0 388.501 1.657 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCc1cn[nH]c1 ZINC001574524289 950854245 /nfs/dbraw/zinc/85/42/45/950854245.db2.gz VFHQCAOOUPYLNI-ZIAGYGMSSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccon1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574524692 950868045 /nfs/dbraw/zinc/86/80/45/950868045.db2.gz YOJLWIGFUAYGLP-NEPJUHHUSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@@H](C[N@H+](C)C[C@@H](O)c1ccccc1F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767992 950879451 /nfs/dbraw/zinc/87/94/51/950879451.db2.gz SGVOPPNLJPEQIB-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576225941 950879507 /nfs/dbraw/zinc/87/95/07/950879507.db2.gz ACTFLUMXKWGXPN-NHYWBVRUSA-N 1 0 391.426 1.768 20 0 GDADRO CC1(C)C[C@@H](NC(=O)c2cocn2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575641009 950909233 /nfs/dbraw/zinc/90/92/33/950909233.db2.gz NLKBMNCCDDPSST-LBPRGKRZSA-N 1 0 382.428 1.675 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ncccn1 ZINC001574528043 950922495 /nfs/dbraw/zinc/92/24/95/950922495.db2.gz KCVIDZKJMUDIDN-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574771695 950937722 /nfs/dbraw/zinc/93/77/22/950937722.db2.gz JOTBGFVOZHGJCT-CQSZACIVSA-N 1 0 389.504 1.984 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccn(C)n1 ZINC001574529418 950952460 /nfs/dbraw/zinc/95/24/60/950952460.db2.gz QRMFKLPELJNZHY-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)(CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001573897269 950956792 /nfs/dbraw/zinc/95/67/92/950956792.db2.gz OBKROIJEEYDSFE-CQSZACIVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576229378 950965837 /nfs/dbraw/zinc/96/58/37/950965837.db2.gz LZCYYOKWQFEOLC-FZMZJTMJSA-N 1 0 376.486 1.291 20 0 GDADRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576230019 950983767 /nfs/dbraw/zinc/98/37/67/950983767.db2.gz KYNBAVBXHPZWGB-UKRRQHHQSA-N 1 0 384.488 1.252 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574530834 951000325 /nfs/dbraw/zinc/00/03/25/951000325.db2.gz XUJXRBPVJXEBAQ-CHWSQXEVSA-N 1 0 385.476 1.659 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CO1 ZINC001575939127 951005279 /nfs/dbraw/zinc/00/52/79/951005279.db2.gz PAYKTEXRBJZNKH-YOEHRIQHSA-N 1 0 384.484 1.715 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-n2cccc2)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575018338 951018212 /nfs/dbraw/zinc/01/82/12/951018212.db2.gz PKZBNHROFPUFHI-CQSZACIVSA-N 1 0 388.435 1.705 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(N(C)C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575028015 951164875 /nfs/dbraw/zinc/16/48/75/951164875.db2.gz KNPCKUUAWFTJPW-AWEZNQCLSA-N 1 0 379.468 1.841 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc2c1ncn2C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575033951 951234794 /nfs/dbraw/zinc/23/47/94/951234794.db2.gz FJRXQJQBOARFQX-LBPRGKRZSA-N 1 0 391.439 1.057 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575036715 951300990 /nfs/dbraw/zinc/30/09/90/951300990.db2.gz WQEMMNBIAVLDBT-NSHDSACASA-N 1 0 386.485 1.297 20 0 GDADRO C[C@H](CNC(=O)c1cn(C2CCC2)nn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575042184 951354702 /nfs/dbraw/zinc/35/47/02/951354702.db2.gz GXSQDQXLHWAIPU-GFCCVEGCSA-N 1 0 381.444 1.091 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575042711 951369717 /nfs/dbraw/zinc/36/97/17/951369717.db2.gz MLWFEDDLCPWOFF-GFCCVEGCSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CC2CC2)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575054580 951493520 /nfs/dbraw/zinc/49/35/20/951493520.db2.gz JBKMVNWTWPTXNL-CYBMUJFWSA-N 1 0 380.456 1.381 20 0 GDADRO C[C@H](CNC(=O)c1cnoc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575055414 951505600 /nfs/dbraw/zinc/50/56/00/951505600.db2.gz SRIKWPMKVIXSAL-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575055518 951507026 /nfs/dbraw/zinc/50/70/26/951507026.db2.gz WCSSZXSVVJWJJJ-NSHDSACASA-N 1 0 390.398 1.080 20 0 GDADRO C[C@@H](CNC(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575055833 951514876 /nfs/dbraw/zinc/51/48/76/951514876.db2.gz AMZABSBSBWXZSL-QMMMGPOBSA-N 1 0 377.405 1.076 20 0 GDADRO C[C@H](CNC(=O)c1coc(C2CC2)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575057862 951531865 /nfs/dbraw/zinc/53/18/65/951531865.db2.gz RTSIOWJAGMJILB-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1nn(C)cc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067802 951622665 /nfs/dbraw/zinc/62/26/65/951622665.db2.gz ZJBSHDOUQDQTBM-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO CC(C)Oc1cccnc1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067998 951627176 /nfs/dbraw/zinc/62/71/76/951627176.db2.gz UUHKRPKCVDLPEB-GFCCVEGCSA-N 1 0 382.428 1.096 20 0 GDADRO C[C@@H](CNC(=O)c1scnc1C1CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575068821 951637860 /nfs/dbraw/zinc/63/78/60/951637860.db2.gz CSFZZYYZNWIWIC-JTQLQIEISA-N 1 0 384.469 1.850 20 0 GDADRO C[C@H](CNC(=O)c1onc2c1CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575068973 951639762 /nfs/dbraw/zinc/63/97/62/951639762.db2.gz FFPBTXLHJAVFMC-GFCCVEGCSA-N 1 0 381.440 1.642 20 0 GDADRO C[C@H](C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CCOCC1)CN1CCOCC1 ZINC001575070186 951648272 /nfs/dbraw/zinc/64/82/72/951648272.db2.gz OYJRDNSLWUOJQO-MRXNPFEDSA-N 1 0 386.500 1.430 20 0 GDADRO C[C@@H](CNC(=O)c1snnc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575071314 951658642 /nfs/dbraw/zinc/65/86/42/951658642.db2.gz ZMBVXAJCYRPCKD-JTQLQIEISA-N 1 0 384.469 1.504 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)n1cccc1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077001 951658930 /nfs/dbraw/zinc/65/89/30/951658930.db2.gz AIAWYQPMYNGYME-KGLIPLIRSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001575077450 951669884 /nfs/dbraw/zinc/66/98/84/951669884.db2.gz DFUGXRNBLIYPLB-ICCXJUOJSA-N 1 0 382.390 1.844 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCC1(F)F)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078064 951677686 /nfs/dbraw/zinc/67/76/86/951677686.db2.gz JQQYOMILHJESKP-GWCFXTLKSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](CNC(=O)COC(C)(C)C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079057 951687735 /nfs/dbraw/zinc/68/77/35/951687735.db2.gz PARQSSNJJHBOGW-LBPRGKRZSA-N 1 0 378.452 1.663 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@@H](O)C1CCCCC1 ZINC001575079814 951698432 /nfs/dbraw/zinc/69/84/32/951698432.db2.gz OYBSELSVTHVGOA-BLLLJJGKSA-N 1 0 375.477 1.092 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001575080542 951712359 /nfs/dbraw/zinc/71/23/59/951712359.db2.gz XZYDLMYJXAKRRQ-LLVKDONJSA-N 1 0 386.460 1.636 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575080673 951712823 /nfs/dbraw/zinc/71/28/23/951712823.db2.gz MODGZYZMDYNVEJ-STQMWFEESA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)COC(C)(C)C ZINC001575080748 951714624 /nfs/dbraw/zinc/71/46/24/951714624.db2.gz ZAORAQJJMKUXAO-LBPRGKRZSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@H](C[NH2+]C[C@H](O)c1ccccc1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575081450 951723387 /nfs/dbraw/zinc/72/33/87/951723387.db2.gz UZYBYJZGHPGZPL-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1n[nH]cc1F ZINC001575081721 951726388 /nfs/dbraw/zinc/72/63/88/951726388.db2.gz SIWXBIIPGPUSQK-VIFPVBQESA-N 1 0 376.371 1.118 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1cncs1 ZINC001575082925 951738235 /nfs/dbraw/zinc/73/82/35/951738235.db2.gz ZNJOLPHFYLQWBE-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C1(C(F)F)CC1 ZINC001575088609 951741588 /nfs/dbraw/zinc/74/15/88/951741588.db2.gz BUORSDJSUWPCRW-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001575088959 951744343 /nfs/dbraw/zinc/74/43/43/951744343.db2.gz DKTMCEWPNOZIMM-XDTLVQLUSA-N 1 0 382.390 1.844 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089121 951746314 /nfs/dbraw/zinc/74/63/14/951746314.db2.gz DPSSAWJGFKTIDI-CYBMUJFWSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CCOC1 ZINC001575089506 951750709 /nfs/dbraw/zinc/75/07/09/951750709.db2.gz GITNKWMXWAJVBJ-CHWSQXEVSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H](C)n1cccn1 ZINC001575089532 951751418 /nfs/dbraw/zinc/75/14/18/951751418.db2.gz GKLUDAFVRSNOAO-STQMWFEESA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCC1(F)F ZINC001575090096 951757623 /nfs/dbraw/zinc/75/76/23/951757623.db2.gz JIXQKHNFRKKBDN-ZWNOBZJWSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CCCOC1 ZINC001575091204 951771683 /nfs/dbraw/zinc/77/16/83/951771683.db2.gz QDWQWOZFSRDCCP-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575091293 951773565 /nfs/dbraw/zinc/77/35/65/951773565.db2.gz QIJUZPLMOFVISP-APPDUMDISA-N 1 0 380.399 1.071 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1ccncc1)C1CC1 ZINC001575091380 951774971 /nfs/dbraw/zinc/77/49/71/951774971.db2.gz QHCAKNYKFFWEHK-HXUWFJFHSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1cncs1 ZINC001575091778 951783720 /nfs/dbraw/zinc/78/37/20/951783720.db2.gz XXTDVERHLQGMIL-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccn1 ZINC001575091801 951783840 /nfs/dbraw/zinc/78/38/40/951783840.db2.gz USOXMJKTKRGLHK-QWHCGFSZSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575091831 951784302 /nfs/dbraw/zinc/78/43/02/951784302.db2.gz VIDYCBDOAITYIN-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccc(=O)[nH]c1 ZINC001575091898 951785776 /nfs/dbraw/zinc/78/57/76/951785776.db2.gz YJMKGZKLZGDHPF-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001575092998 951796253 /nfs/dbraw/zinc/79/62/53/951796253.db2.gz GOSQTZXSRXIGCY-LBPRGKRZSA-N 1 0 380.456 1.718 20 0 GDADRO CC(C)n1ccc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001575093047 951797165 /nfs/dbraw/zinc/79/71/65/951797165.db2.gz HPFKAFFSKJXHPF-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575093355 951799088 /nfs/dbraw/zinc/79/90/88/951799088.db2.gz IEMKMTMUSJUYOD-CYBMUJFWSA-N 1 0 386.435 1.283 20 0 GDADRO C[C@H](CNC(=O)C[C@H](C)n1ccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098105 951820253 /nfs/dbraw/zinc/82/02/53/951820253.db2.gz ARIYCMRKTCZFNR-STQMWFEESA-N 1 0 388.501 1.618 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098393 951821504 /nfs/dbraw/zinc/82/15/04/951821504.db2.gz CGLCPSRICSJGPI-OXHZDVMGSA-N 1 0 376.486 1.338 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)C(F)(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099386 951831875 /nfs/dbraw/zinc/83/18/75/951831875.db2.gz LGHIPRGHBMFPHV-BDAKNGLRSA-N 1 0 376.408 1.969 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCCn1cccn1 ZINC001575099382 951833355 /nfs/dbraw/zinc/83/33/55/951833355.db2.gz LEUAXHUTPHGRTP-CYBMUJFWSA-N 1 0 388.501 1.542 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099435 951834029 /nfs/dbraw/zinc/83/40/29/951834029.db2.gz LWZOUFJXMPKLJG-SNVBAGLBSA-N 1 0 386.485 1.684 20 0 GDADRO C[C@H](CNC(=O)Cc1ncccc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575101014 951852019 /nfs/dbraw/zinc/85/20/19/951852019.db2.gz XOGRQBQQVDVKCN-NSHDSACASA-N 1 0 389.460 1.547 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cnn2cc[nH]c12 ZINC001575101274 951855898 /nfs/dbraw/zinc/85/58/98/951855898.db2.gz BJTIYGYWIYFKJY-SNVBAGLBSA-N 1 0 385.457 1.154 20 0 GDADRO C[C@H](CNC(=O)[C@@]1(C)CCCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101386 951857456 /nfs/dbraw/zinc/85/74/56/951857456.db2.gz CTKGMMSSZSIZGM-DJJJIMSYSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575101374 951858453 /nfs/dbraw/zinc/85/84/53/951858453.db2.gz CIQNFPCMNFBNRK-PIGZYNQJSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](CNC(=O)[C@@]1(C)CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101415 951859149 /nfs/dbraw/zinc/85/91/49/951859149.db2.gz DYWDRUREYNJWHH-SGTLLEGYSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101471 951859863 /nfs/dbraw/zinc/85/98/63/951859863.db2.gz FGPGHWWIHPPLKD-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575102691 951870175 /nfs/dbraw/zinc/87/01/75/951870175.db2.gz OLWNGUSTYZIPLI-FEUBFEEPSA-N 1 0 388.497 1.288 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001575104270 951883287 /nfs/dbraw/zinc/88/32/87/951883287.db2.gz YULYSIHLYYRQGE-PNPHSEOMSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@H](CNC(=O)COc1ccsc1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104894 951889587 /nfs/dbraw/zinc/88/95/87/951889587.db2.gz GIMQSRSHWKGGEV-ZDUSSCGKSA-N 1 0 386.481 1.849 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575105171 951890715 /nfs/dbraw/zinc/89/07/15/951890715.db2.gz HKYAETRZKRLQKS-UKRRQHHQSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)CCc1ncccn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105662 951897976 /nfs/dbraw/zinc/89/79/76/951897976.db2.gz MGQGXGLCOIJEFJ-AWEZNQCLSA-N 1 0 380.456 1.131 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575105875 951901570 /nfs/dbraw/zinc/90/15/70/951901570.db2.gz OZAPUWIATHDQFT-IBGZPJMESA-N 1 0 384.440 1.129 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107152 951913544 /nfs/dbraw/zinc/91/35/44/951913544.db2.gz ADJKCYZQCOSPHZ-ZDUSSCGKSA-N 1 0 380.456 1.165 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1ccnn1C ZINC001575109756 951933778 /nfs/dbraw/zinc/93/37/78/951933778.db2.gz UWQJURXOSYTUSN-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110259 951937211 /nfs/dbraw/zinc/93/72/11/951937211.db2.gz YXHNCZDCFSYFOZ-CQSZACIVSA-N 1 0 392.463 1.957 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)c1csnn1)C1CC1 ZINC001575113374 951939062 /nfs/dbraw/zinc/93/90/62/951939062.db2.gz AEMAVMDYEJXNAJ-QGZVFWFLSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001575113407 951941708 /nfs/dbraw/zinc/94/17/08/951941708.db2.gz AZRAIBMRFRYUEF-XLIONFOSSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113929 951949869 /nfs/dbraw/zinc/94/98/69/951949869.db2.gz IFIOAWGBBBRFGS-CYBMUJFWSA-N 1 0 379.468 1.839 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnoc1C1CC1 ZINC001575114539 951957135 /nfs/dbraw/zinc/95/71/35/951957135.db2.gz QBHYBTMQXGKFQW-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575125495 952044561 /nfs/dbraw/zinc/04/45/61/952044561.db2.gz NZSFMKGTIQFVOG-AWEZNQCLSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCc1ccccc1F ZINC001575147405 952199949 /nfs/dbraw/zinc/19/99/49/952199949.db2.gz SLYCCLVSQMZDDA-ZDUSSCGKSA-N 1 0 383.431 1.714 20 0 GDADRO C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575155299 952236062 /nfs/dbraw/zinc/23/60/62/952236062.db2.gz KSNXZPSWPHJTSG-ZDUSSCGKSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001575163721 952281840 /nfs/dbraw/zinc/28/18/40/952281840.db2.gz FEFZZRWEKHZKFN-CYBMUJFWSA-N 1 0 390.467 1.536 20 0 GDADRO C[C@@](CNc1ncc(-c2nn[nH]n2)cc1F)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001575166240 952322434 /nfs/dbraw/zinc/32/24/34/952322434.db2.gz UCEPAOVFSADMJS-SFHVURJKSA-N 1 0 388.451 1.193 20 0 GDADRO C[C@H](CNc1ncccc1-c1nn[nH]n1)N(C)C(=O)CCCC[NH+]1CCCC1 ZINC001575168383 952342695 /nfs/dbraw/zinc/34/26/95/952342695.db2.gz MEHRDNZYGYYHRJ-OAHLLOKOSA-N 1 0 386.504 1.787 20 0 GDADRO C[C@@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575190965 952464972 /nfs/dbraw/zinc/46/49/72/952464972.db2.gz VPGKFFQCXOXELF-ZDUSSCGKSA-N 1 0 383.431 1.832 20 0 GDADRO C[C@]12CN(C(=O)[C@@H]3CC3(F)F)C[C@H]1CN(c1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571115581 952468832 /nfs/dbraw/zinc/46/88/32/952468832.db2.gz YIZACZMIFOWONQ-XAGWURHQSA-N 1 0 375.383 1.202 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575201654 952506923 /nfs/dbraw/zinc/50/69/23/952506923.db2.gz JVUSSMPBUKCOHR-KBPBESRZSA-N 1 0 382.472 1.405 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001575203095 952518747 /nfs/dbraw/zinc/51/87/47/952518747.db2.gz ZQDZDJCEQMLAEJ-RYUDHWBXSA-N 1 0 386.435 1.202 20 0 GDADRO CO[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571122221 952524133 /nfs/dbraw/zinc/52/41/33/952524133.db2.gz HEMNOIMYTWLWFJ-GXTWGEPZSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](Cc1cnn(C)c1)C(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575205535 952525787 /nfs/dbraw/zinc/52/57/87/952525787.db2.gz AZCJAHPPUHMNKU-AWEZNQCLSA-N 1 0 382.472 1.027 20 0 GDADRO CC(F)(F)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001575206648 952530536 /nfs/dbraw/zinc/53/05/36/952530536.db2.gz KSCXZLMHYFGWSZ-SFHVURJKSA-N 1 0 376.411 1.946 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575207251 952533627 /nfs/dbraw/zinc/53/36/27/952533627.db2.gz PQNPAVOGOJJGHA-UONOGXRCSA-N 1 0 382.472 1.073 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124675 952542202 /nfs/dbraw/zinc/54/22/02/952542202.db2.gz QZNVQTQXCVPCNB-QWRGUYRKSA-N 1 0 377.399 1.235 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001571127225 952551291 /nfs/dbraw/zinc/55/12/91/952551291.db2.gz HZGPOFLUBINFKT-XYPHTWIQSA-N 1 0 377.452 1.802 20 0 GDADRO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571127325 952553524 /nfs/dbraw/zinc/55/35/24/952553524.db2.gz DETYGADDYLBNTP-INIZCTEOSA-N 1 0 377.452 1.822 20 0 GDADRO CC(F)(F)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575214324 952562513 /nfs/dbraw/zinc/56/25/13/952562513.db2.gz WTPSWXBBQRREAD-CABCVRRESA-N 1 0 376.411 1.945 20 0 GDADRO Cc1cnccc1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571128104 952563663 /nfs/dbraw/zinc/56/36/63/952563663.db2.gz PNRDOANUKKIZPG-KRWDZBQOSA-N 1 0 377.452 1.917 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)ccn1 ZINC001571128165 952565385 /nfs/dbraw/zinc/56/53/85/952565385.db2.gz PNVHLPMETPDXDA-KRWDZBQOSA-N 1 0 377.452 1.965 20 0 GDADRO O=C(c1cccnc1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571128370 952566070 /nfs/dbraw/zinc/56/60/70/952566070.db2.gz RPBUGYVZLYUTLO-MRXNPFEDSA-N 1 0 377.452 1.904 20 0 GDADRO Cc1cncc(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC001571128390 952566138 /nfs/dbraw/zinc/56/61/38/952566138.db2.gz SEVDVKQXZMRZCQ-UHFFFAOYSA-N 1 0 377.452 1.965 20 0 GDADRO Cc1ncccc1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571128303 952566183 /nfs/dbraw/zinc/56/61/83/952566183.db2.gz QXDGHNGCVBRWIH-SFHVURJKSA-N 1 0 377.452 1.503 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)nc1C ZINC001571128397 952566213 /nfs/dbraw/zinc/56/62/13/952566213.db2.gz SNCPEJPFGGFULW-QGZVFWFLSA-N 1 0 377.452 1.883 20 0 GDADRO Cc1ccc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571128703 952570101 /nfs/dbraw/zinc/57/01/01/952570101.db2.gz WSXIIDMDROXLRE-QAQDUYKDSA-N 1 0 377.452 1.550 20 0 GDADRO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571141054 952630579 /nfs/dbraw/zinc/63/05/79/952630579.db2.gz GEOPGDDLGPWGKP-JLLWLGSASA-N 1 0 378.506 1.231 20 0 GDADRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccnn1 ZINC001571142005 952637951 /nfs/dbraw/zinc/63/79/51/952637951.db2.gz NBKTXXMKGCMROR-WKILWMFISA-N 1 0 378.440 1.488 20 0 GDADRO Cc1ncncc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571142496 952643363 /nfs/dbraw/zinc/64/33/63/952643363.db2.gz SDUPTWKARFFGRX-MRXNPFEDSA-N 1 0 378.440 1.360 20 0 GDADRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccccc1-c1nn[nH]n1)C2)c1ccon1 ZINC001571142653 952645307 /nfs/dbraw/zinc/64/53/07/952645307.db2.gz ZOFLUWVZKOBEOK-UHFFFAOYSA-N 1 0 379.424 1.686 20 0 GDADRO O=C(Cc1ccc[nH]1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571151789 952679264 /nfs/dbraw/zinc/67/92/64/952679264.db2.gz XKZLNANRTYHKKX-KRWDZBQOSA-N 1 0 379.468 1.908 20 0 GDADRO O=C([C@@H]1CC1(F)F)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571153919 952688187 /nfs/dbraw/zinc/68/81/87/952688187.db2.gz VOKFFHGGGAFPAH-OLZOCXBDSA-N 1 0 380.374 1.742 20 0 GDADRO Cc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571158290 952711132 /nfs/dbraw/zinc/71/11/32/952711132.db2.gz GGQONZCVMHPVCX-UGFHNGPFSA-N 1 0 380.412 1.406 20 0 GDADRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2cocn2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571159481 952719218 /nfs/dbraw/zinc/71/92/18/952719218.db2.gz WDZVHFSUVADMSU-OLZOCXBDSA-N 1 0 380.412 1.442 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)c3ncoc3C3CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571159558 952720682 /nfs/dbraw/zinc/72/06/82/952720682.db2.gz YEUPTYQRUQSVHK-GFCCVEGCSA-N 1 0 380.412 1.444 20 0 GDADRO CCc1n[nH]cc1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571165408 952750769 /nfs/dbraw/zinc/75/07/69/952750769.db2.gz CUEQDEDJVLSJPF-AWEZNQCLSA-N 1 0 380.456 1.404 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1c[nH]cn1 ZINC001571165631 952753380 /nfs/dbraw/zinc/75/33/80/952753380.db2.gz GZEWKFRRKAJBMA-SUMWQHHRSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1c[nH]cn1 ZINC001571165625 952753886 /nfs/dbraw/zinc/75/38/86/952753886.db2.gz GZEWKFRRKAJBMA-CXAGYDPISA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571166720 952764205 /nfs/dbraw/zinc/76/42/05/952764205.db2.gz OZACGJOWYHOWRG-CZUORRHYSA-N 1 0 380.456 1.159 20 0 GDADRO CCc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571167097 952770565 /nfs/dbraw/zinc/77/05/65/952770565.db2.gz VQUPXZBXPSFNQZ-OAHLLOKOSA-N 1 0 380.456 1.547 20 0 GDADRO Cc1cccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571169374 952772103 /nfs/dbraw/zinc/77/21/03/952772103.db2.gz AVDZQXXLWVOTNY-KBPBESRZSA-N 1 0 380.456 1.587 20 0 GDADRO Cc1ccnn1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1C ZINC001571169362 952773025 /nfs/dbraw/zinc/77/30/25/952773025.db2.gz ATBCAXRGQKYTKZ-PBHICJAKSA-N 1 0 380.456 1.151 20 0 GDADRO Cc1nc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C)c[nH]1 ZINC001571169591 952776153 /nfs/dbraw/zinc/77/61/53/952776153.db2.gz HJXHZJZOAXBFBF-WFASDCNBSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H](CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c(C)[nH]1 ZINC001571169784 952778632 /nfs/dbraw/zinc/77/86/32/952778632.db2.gz NGSJLGUNZAWZQA-AWEZNQCLSA-N 1 0 380.456 1.511 20 0 GDADRO Cc1cc(NC[C@H]2CN(C(=O)Cc3ccc[nH]3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169839 952779551 /nfs/dbraw/zinc/77/95/51/952779551.db2.gz PBHQAFCBPWBBIY-JSGCOSHPSA-N 1 0 380.456 1.069 20 0 GDADRO Cc1cccnc1C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571170049 952782552 /nfs/dbraw/zinc/78/25/52/952782552.db2.gz RLINKAXLRZJYBS-AWEZNQCLSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1c(C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cnn1C ZINC001571170455 952785967 /nfs/dbraw/zinc/78/59/67/952785967.db2.gz UVDKQYFSFLVXSN-UHFFFAOYSA-N 1 0 380.456 1.207 20 0 GDADRO Cc1ccn(C)c1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571170548 952786940 /nfs/dbraw/zinc/78/69/40/952786940.db2.gz WIPWQXLDBJHMES-AWEZNQCLSA-N 1 0 380.456 1.616 20 0 GDADRO Cc1nc(C)c(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)[nH]1 ZINC001571170609 952786987 /nfs/dbraw/zinc/78/69/87/952786987.db2.gz XGKXEDMTMLDFPT-MRXNPFEDSA-N 1 0 380.456 1.601 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)c1ccc(F)cn1 ZINC001571178685 952844909 /nfs/dbraw/zinc/84/49/09/952844909.db2.gz RAYILTZUGIUKRB-BLLLJJGKSA-N 1 0 381.415 1.794 20 0 GDADRO O=C(CCc1ccon1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571179340 952851444 /nfs/dbraw/zinc/85/14/44/952851444.db2.gz BMQYGYNKTZKOSV-QGZVFWFLSA-N 1 0 381.440 1.568 20 0 GDADRO Cc1ccoc1CC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571179614 952854233 /nfs/dbraw/zinc/85/42/33/952854233.db2.gz HJRUPSOGGOCLJY-CQSZACIVSA-N 1 0 381.440 1.397 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@H](C)C2)on1 ZINC001571180466 952859838 /nfs/dbraw/zinc/85/98/38/952859838.db2.gz OVFLFIWASIMYPQ-MLGOLLRUSA-N 1 0 381.440 1.661 20 0 GDADRO Cc1noc(C)c1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571181421 952864857 /nfs/dbraw/zinc/86/48/57/952864857.db2.gz WMDKKBOOVMIRBS-INIZCTEOSA-N 1 0 381.440 1.866 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001571182699 952866889 /nfs/dbraw/zinc/86/68/89/952866889.db2.gz BYZXMYREVCUUTN-HIFRSBDPSA-N 1 0 381.415 1.826 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571182711 952867591 /nfs/dbraw/zinc/86/75/91/952867591.db2.gz CIEJEIXCYGNOPN-CQSZACIVSA-N 1 0 381.440 1.455 20 0 GDADRO CC[C@H]1CN(C(=O)c2cocn2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571182929 952871081 /nfs/dbraw/zinc/87/10/81/952871081.db2.gz JYOXYUMTSYYVKE-GOEBONIOSA-N 1 0 381.440 1.885 20 0 GDADRO CO[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571183042 952872703 /nfs/dbraw/zinc/87/27/03/952872703.db2.gz MROAXILKNODJBE-IAGOWNOFSA-N 1 0 381.440 1.132 20 0 GDADRO CCc1ocnc1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571183100 952872794 /nfs/dbraw/zinc/87/27/94/952872794.db2.gz OKMGNJBIPNMFJQ-GFCCVEGCSA-N 1 0 381.440 1.667 20 0 GDADRO CCc1oncc1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C[C@@H]1C ZINC001571183275 952875588 /nfs/dbraw/zinc/87/55/88/952875588.db2.gz VDKIJXHSHOLLTO-JSGCOSHPSA-N 1 0 381.440 1.810 20 0 GDADRO CCc1nc(C(=O)N(C)C[C@@H]2CCN2Cc2ccccc2-c2nn[nH]n2)co1 ZINC001571183316 952876564 /nfs/dbraw/zinc/87/65/64/952876564.db2.gz WVHAIYOQAOVXOF-AWEZNQCLSA-N 1 0 381.440 1.764 20 0 GDADRO CCc1nc(C(=O)N(C)C[C@H]2CCN2Cc2ccccc2-c2nn[nH]n2)co1 ZINC001571183317 952876846 /nfs/dbraw/zinc/87/68/46/952876846.db2.gz WVHAIYOQAOVXOF-CQSZACIVSA-N 1 0 381.440 1.764 20 0 GDADRO O=C(Cc1cccnc1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571183411 952877297 /nfs/dbraw/zinc/87/72/97/952877297.db2.gz ZQYCEPNCYQHDSM-GASCZTMLSA-N 1 0 381.415 1.380 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001571183639 952880700 /nfs/dbraw/zinc/88/07/00/952880700.db2.gz GNRARXSRTGQZGH-MLGOLLRUSA-N 1 0 381.444 1.158 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@@H](C)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571185269 952901344 /nfs/dbraw/zinc/90/13/44/952901344.db2.gz KGGLCPYVJHKSMO-AAEUAGOBSA-N 1 0 381.444 1.328 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)n3cccn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571187627 952909367 /nfs/dbraw/zinc/90/93/67/952909367.db2.gz AAJAOGDNJRKMIT-ZIAGYGMSSA-N 1 0 381.444 1.113 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571189657 952931996 /nfs/dbraw/zinc/93/19/96/952931996.db2.gz ZPXYCZGGXALNAP-YPMHNXCESA-N 1 0 381.444 1.389 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ncccn1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571189767 952935311 /nfs/dbraw/zinc/93/53/11/952935311.db2.gz UEGPHZLSSIJKQZ-GXTWGEPZSA-N 1 0 381.444 1.063 20 0 GDADRO O=C(N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1cccc(Cl)c1 ZINC001571190057 952938674 /nfs/dbraw/zinc/93/86/74/952938674.db2.gz DGUAIOITDKRKJZ-FOLVSLTJSA-N 1 0 381.827 1.780 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(F)F)CC[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571195128 952973144 /nfs/dbraw/zinc/97/31/44/952973144.db2.gz XUAWHLURAYZTLU-HZMBPMFUSA-N 1 0 382.390 1.988 20 0 GDADRO O=C(Cc1ccco1)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001571195190 952975052 /nfs/dbraw/zinc/97/50/52/952975052.db2.gz ZDMYIGSJPNFXBL-HWWDLCQESA-N 1 0 382.399 1.388 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001571196024 952978571 /nfs/dbraw/zinc/97/85/71/952978571.db2.gz GPIATAOKLQJIQD-VXGBXAGGSA-N 1 0 382.403 1.180 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571197239 952986924 /nfs/dbraw/zinc/98/69/24/952986924.db2.gz UWCCIJDCUCEFLS-CYBMUJFWSA-N 1 0 382.403 1.142 20 0 GDADRO CCc1nc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)co1 ZINC001571199011 952995204 /nfs/dbraw/zinc/99/52/04/952995204.db2.gz JXLZREHUQZIMGF-DGCLKSJQSA-N 1 0 382.428 1.197 20 0 GDADRO CN(C[C@H]1CCCN(C(=O)Cc2ccon2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571199219 952998261 /nfs/dbraw/zinc/99/82/61/952998261.db2.gz NOZWTVRPSKPCHC-CYBMUJFWSA-N 1 0 382.428 1.167 20 0 GDADRO CCc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001571199700 953002788 /nfs/dbraw/zinc/00/27/88/953002788.db2.gz ZRSVZFKKBQZBKD-NEPJUHHUSA-N 1 0 382.428 1.054 20 0 GDADRO O=C(c1ncccn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571202469 953026049 /nfs/dbraw/zinc/02/60/49/953026049.db2.gz YEIYRRFTNKPYSU-CYBMUJFWSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1conc1C(=O)N1CCC[C@@H]1CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571202625 953027796 /nfs/dbraw/zinc/02/77/96/953027796.db2.gz WONHITQOEAPIIS-CYBMUJFWSA-N 1 0 382.428 1.608 20 0 GDADRO Cc1ncoc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 ZINC001571204928 953034180 /nfs/dbraw/zinc/03/41/80/953034180.db2.gz DHLHCQVZNCGNBR-LSDHHAIUSA-N 1 0 382.428 1.322 20 0 GDADRO O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cnc(C2CC2)s1 ZINC001571209981 953069615 /nfs/dbraw/zinc/06/96/15/953069615.db2.gz KPSQBPYDNBDPFF-PHIMTYICSA-N 1 0 382.453 1.390 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571210776 953074314 /nfs/dbraw/zinc/07/43/14/953074314.db2.gz XAEITOIKJMXDDD-FUEZWAHWSA-N 1 0 382.468 1.513 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CC12CCOCC2 ZINC001571212235 953086389 /nfs/dbraw/zinc/08/63/89/953086389.db2.gz JVRGAMBGRMMYRI-BRWVUGGUSA-N 1 0 382.468 1.420 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(-c2nn[nH]n2)c1Cl ZINC001571217354 953106823 /nfs/dbraw/zinc/10/68/23/953106823.db2.gz FWMDYEZWNSKNRH-NSHDSACASA-N 1 0 382.877 1.283 20 0 GDADRO O=C(c1cc[nH]c(=O)c1)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571217837 953111033 /nfs/dbraw/zinc/11/10/33/953111033.db2.gz PUWWZDJOLSKKDU-CQSZACIVSA-N 1 0 383.387 1.111 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@H]1C ZINC001571219023 953121527 /nfs/dbraw/zinc/12/15/27/953121527.db2.gz JSHQUJVXAKVYMP-BXUZGUMPSA-N 1 0 383.412 1.114 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccon3)C2)cc1-c1nn[nH]n1 ZINC001571219934 953127655 /nfs/dbraw/zinc/12/76/55/953127655.db2.gz UDMOANIGANHDFG-WCQYABFASA-N 1 0 383.412 1.256 20 0 GDADRO C[C@H]1CN(C(=O)c2cccn2C)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571229233 953168736 /nfs/dbraw/zinc/16/87/36/953168736.db2.gz BFKOZTNJABTKDJ-BLLLJJGKSA-N 1 0 383.431 1.595 20 0 GDADRO Cc1ccn(C)c1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571229510 953170391 /nfs/dbraw/zinc/17/03/91/953170391.db2.gz HDHVLNHWTUURLM-HNNXBMFYSA-N 1 0 383.431 1.657 20 0 GDADRO Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571229553 953170785 /nfs/dbraw/zinc/17/07/85/953170785.db2.gz IMURINFYGJRYAU-OAHLLOKOSA-N 1 0 383.431 1.989 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571229684 953171671 /nfs/dbraw/zinc/17/16/71/953171671.db2.gz JQESGFXFRLDATA-HNNXBMFYSA-N 1 0 383.431 1.771 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CN1C(=O)Cc1ccc[nH]1 ZINC001571230391 953176921 /nfs/dbraw/zinc/17/69/21/953176921.db2.gz WZJGXSJMHKTUEI-DOMZBBRYSA-N 1 0 383.431 1.656 20 0 GDADRO CN(C[C@H]1CCCN(C(=O)C2=COCCC2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571230414 953177061 /nfs/dbraw/zinc/17/70/61/953177061.db2.gz CQKAWUYUJRLBJP-CQSZACIVSA-N 1 0 383.456 1.631 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)n1C ZINC001571230604 953178117 /nfs/dbraw/zinc/17/81/17/953178117.db2.gz YNCOZLLIQAMVRK-OKILXGFUSA-N 1 0 383.431 1.703 20 0 GDADRO O=C(C1=CCCCCC1)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571233491 953193063 /nfs/dbraw/zinc/19/30/63/953193063.db2.gz WKYVOXLIHYDYGN-OAHLLOKOSA-N 1 0 383.456 1.213 20 0 GDADRO O=C(CCc1ccncc1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571233969 953197569 /nfs/dbraw/zinc/19/75/69/953197569.db2.gz JKPBRHOJTDYGOK-AWEZNQCLSA-N 1 0 383.481 1.647 20 0 GDADRO C[C@H]1CN(C(=O)c2nccs2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571234033 953198378 /nfs/dbraw/zinc/19/83/78/953198378.db2.gz LBEXTEGYZSDKJN-WFASDCNBSA-N 1 0 383.481 1.964 20 0 GDADRO Cn1nccc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571234330 953201665 /nfs/dbraw/zinc/20/16/65/953201665.db2.gz UMNPCCBXEGYJSL-IUODEOHRSA-N 1 0 383.460 1.007 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)C2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001571235155 953209319 /nfs/dbraw/zinc/20/93/19/953209319.db2.gz VFTSLUVJZCAELD-YOEHRIQHSA-N 1 0 383.500 1.240 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)n(C)n1 ZINC001571239255 953237056 /nfs/dbraw/zinc/23/70/56/953237056.db2.gz IOZCEXYGLZYUKC-CYBMUJFWSA-N 1 0 384.419 1.052 20 0 GDADRO CCn1nccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571239346 953238114 /nfs/dbraw/zinc/23/81/14/953238114.db2.gz IQCOCGXLABDVGY-HDJSIYSDSA-N 1 0 384.419 1.273 20 0 GDADRO CCc1nc[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571239733 953241726 /nfs/dbraw/zinc/24/17/26/953241726.db2.gz RPBVAUOXFGNBDL-TXEJJXNPSA-N 1 0 384.419 1.342 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)C1=COCCO1 ZINC001571241806 953249526 /nfs/dbraw/zinc/24/95/26/953249526.db2.gz MEFMFZNQJJYSGR-BBRMVZONSA-N 1 0 384.440 1.224 20 0 GDADRO O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1ncc[nH]1 ZINC001571242021 953252314 /nfs/dbraw/zinc/25/23/14/953252314.db2.gz SWFAODZGZWVMSL-STQMWFEESA-N 1 0 384.419 1.560 20 0 GDADRO CCc1nocc1C[N@H+](C)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571242643 953258509 /nfs/dbraw/zinc/25/85/09/953258509.db2.gz KUGIFEUJCVXHGY-UHFFFAOYSA-N 1 0 384.444 1.482 20 0 GDADRO CCc1cnc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571243082 953262421 /nfs/dbraw/zinc/26/24/21/953262421.db2.gz VIMFKPFPARWBLC-WCQYABFASA-N 1 0 384.444 1.434 20 0 GDADRO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@@]2(C)C1 ZINC001571244939 953268713 /nfs/dbraw/zinc/26/87/13/953268713.db2.gz AOOQZQQNVWPSFM-DVNRBFFJSA-N 1 0 384.459 1.942 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571247889 953287040 /nfs/dbraw/zinc/28/70/40/953287040.db2.gz HMZLVZZOTITRKT-DDBAPUKQSA-N 1 0 384.484 1.666 20 0 GDADRO Cc1nnsc1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H]1C ZINC001571247880 953287458 /nfs/dbraw/zinc/28/74/58/953287458.db2.gz HBLUBFBNCNDGIJ-RISCZKNCSA-N 1 0 384.469 1.419 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001571247977 953288283 /nfs/dbraw/zinc/28/82/83/953288283.db2.gz KHGIDLLLIRYDEF-KBRIMQKVSA-N 1 0 384.484 1.954 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCOC1 ZINC001571247949 953288335 /nfs/dbraw/zinc/28/83/35/953288335.db2.gz JDPHTRWCXWXIFE-QRWLVFNGSA-N 1 0 384.484 1.622 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001571248016 953288825 /nfs/dbraw/zinc/28/88/25/953288825.db2.gz LKNNKWSXINPWKV-CZUORRHYSA-N 1 0 384.484 1.860 20 0 GDADRO CC1(C)CC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001571248167 953290378 /nfs/dbraw/zinc/29/03/78/953290378.db2.gz MQRGEHIAHCKZNL-DLBZAZTESA-N 1 0 384.484 1.354 20 0 GDADRO CCN(C(=O)[C@@H]1CCCCO1)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248778 953297123 /nfs/dbraw/zinc/29/71/23/953297123.db2.gz ZRHXAAVJZRTVJU-WMZOPIPTSA-N 1 0 384.484 1.859 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCOCC1 ZINC001571250193 953309075 /nfs/dbraw/zinc/30/90/75/953309075.db2.gz ODWBNWGRDVGLNH-ZWKOTPCHSA-N 1 0 384.484 1.810 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC001571250529 953311404 /nfs/dbraw/zinc/31/14/04/953311404.db2.gz QLCNYMMECWLBAR-QZTJIDSGSA-N 1 0 384.484 1.668 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)C2CC2)C1 ZINC001571251034 953314621 /nfs/dbraw/zinc/31/46/21/953314621.db2.gz VGTULBNWXNMKSK-KBPBESRZSA-N 1 0 384.484 1.860 20 0 GDADRO C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001571251391 953316479 /nfs/dbraw/zinc/31/64/79/953316479.db2.gz XAHXLNPYCDNJNX-BBRMVZONSA-N 1 0 384.488 1.395 20 0 GDADRO Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571251317 953316619 /nfs/dbraw/zinc/31/66/19/953316619.db2.gz UDPJOOCAXAZHRH-AVGNSLFASA-N 1 0 384.444 1.883 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252051 953323145 /nfs/dbraw/zinc/32/31/45/953323145.db2.gz GGQNIDFPLNFSGM-GOEBONIOSA-N 1 0 384.488 1.397 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C)c(C)o1 ZINC001571252239 953324920 /nfs/dbraw/zinc/32/49/20/953324920.db2.gz ZJSWABYUZCBPFD-YGRLFVJLSA-N 1 0 384.444 1.440 20 0 GDADRO Cc1nc(NC[C@H]2CCCN2C(=O)[C@H]2CCCC[N@H+]2C)ccc1-c1nn[nH]n1 ZINC001571252250 953325241 /nfs/dbraw/zinc/32/52/41/953325241.db2.gz IWOWHYKSHFVJBJ-GDBMZVCRSA-N 1 0 384.488 1.457 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001571252647 953331352 /nfs/dbraw/zinc/33/13/52/953331352.db2.gz SKNLYFLTITYOER-HNNXBMFYSA-N 1 0 384.488 1.172 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571252884 953334250 /nfs/dbraw/zinc/33/42/50/953334250.db2.gz YBSODYHTQRQTOY-INIZCTEOSA-N 1 0 384.488 1.397 20 0 GDADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(-c2nn[nH]n2)c1Cl ZINC001571254281 953336938 /nfs/dbraw/zinc/33/69/38/953336938.db2.gz BETSIQUMQOZMRO-NSHDSACASA-N 1 0 384.893 1.625 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)c1cocn1 ZINC001571254675 953340602 /nfs/dbraw/zinc/34/06/02/953340602.db2.gz HYHURJZBHHOJSI-UHFFFAOYSA-N 1 0 385.403 1.825 20 0 GDADRO Cc1ocnc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571254770 953341898 /nfs/dbraw/zinc/34/18/98/953341898.db2.gz IIKRPKSVYZZNOC-JOCQHMNTSA-N 1 0 385.403 1.600 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)c1cocn1 ZINC001571255622 953352089 /nfs/dbraw/zinc/35/20/89/953352089.db2.gz QYHXCPHRZWTSLQ-UHFFFAOYSA-N 1 0 385.403 1.825 20 0 GDADRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)c1cocn1 ZINC001571255620 953352313 /nfs/dbraw/zinc/35/23/13/953352313.db2.gz QYHXCPHRZWTSLQ-HDJSIYSDSA-N 1 0 385.403 1.825 20 0 GDADRO O=C(NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)c1ccc(F)cc1F ZINC001571255810 953355158 /nfs/dbraw/zinc/35/51/58/953355158.db2.gz QEBCVZUWZLVFDO-UHFFFAOYSA-N 1 0 385.378 1.939 20 0 GDADRO CC1(C)CN(C(=O)c2cnco2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571255879 953357327 /nfs/dbraw/zinc/35/73/27/953357327.db2.gz VJGFWBCLWJVFAJ-OAHLLOKOSA-N 1 0 385.403 1.634 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ccon1 ZINC001571256119 953363164 /nfs/dbraw/zinc/36/31/64/953363164.db2.gz YNWPCEXDKXRNFH-CHWSQXEVSA-N 1 0 385.403 1.825 20 0 GDADRO O=C(Cc1ccon1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571256163 953364864 /nfs/dbraw/zinc/36/48/64/953364864.db2.gz ZNSARGCWODRGKA-OAHLLOKOSA-N 1 0 385.403 1.317 20 0 GDADRO O=C(c1ccncc1F)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571256343 953370159 /nfs/dbraw/zinc/37/01/59/953370159.db2.gz VKPMJMQIXCIPFB-LBPRGKRZSA-N 1 0 385.378 1.544 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)CN1CC[NH+](C)CC1 ZINC001589066486 955751091 /nfs/dbraw/zinc/75/10/91/955751091.db2.gz IBLUYXLKFVJJSM-SJORKVTESA-N 1 0 378.517 1.554 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001603142575 972234382 /nfs/dbraw/zinc/23/43/82/972234382.db2.gz QBWLPPNTUULWBE-MRXNPFEDSA-N 1 0 378.517 1.696 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)C2)CC1 ZINC001343117102 958028312 /nfs/dbraw/zinc/02/83/12/958028312.db2.gz LHEHWNVKBWOMJD-KYNGSXCRSA-N 1 0 386.496 1.767 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666563124 968846973 /nfs/dbraw/zinc/84/69/73/968846973.db2.gz TXOROWRRFKBOLU-SFHVURJKSA-N 1 0 376.501 1.942 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001598219928 990892554 /nfs/dbraw/zinc/89/25/54/990892554.db2.gz WQONYXCRAIXBNM-UHFFFAOYSA-N 1 0 391.516 1.990 20 0 GDADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)CC1 ZINC001593723221 996255995 /nfs/dbraw/zinc/25/59/95/996255995.db2.gz NNESEFPEWAFRCZ-DOTOQJQBSA-N 1 0 389.500 1.265 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC[N@@H+]1C ZINC001594195068 998757857 /nfs/dbraw/zinc/75/78/57/998757857.db2.gz ZEBNBENVGFIABG-YOEHRIQHSA-N 1 0 375.473 1.107 20 0 GDADRO CN1CCN(c2ncc(C[NH2+][C@H](CO)Cc3c[nH]c4ccccc34)cn2)CC1 ZINC000134332372 1126076464 /nfs/dbraw/zinc/07/64/64/1126076464.db2.gz PSTFDJTXRAINEZ-SFHVURJKSA-N 1 0 380.496 1.403 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000638606059 1126102305 /nfs/dbraw/zinc/10/23/05/1126102305.db2.gz VVECSAKGLGTJOB-HZPDHXFCSA-N 1 0 388.411 1.958 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158604833 530533944 /nfs/dbraw/zinc/53/39/44/530533944.db2.gz CMAUYARPQAVWBX-QGZVFWFLSA-N 1 0 380.286 1.781 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000158952315 530537509 /nfs/dbraw/zinc/53/75/09/530537509.db2.gz ZXBZVQSFAPDRNS-JTQLQIEISA-N 1 0 383.333 1.636 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Br)ccc1F ZINC000158926903 530537638 /nfs/dbraw/zinc/53/76/38/530537638.db2.gz YFBSDLOPBUPNJE-GFCCVEGCSA-N 1 0 395.294 1.713 20 0 GDADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158945562 530537785 /nfs/dbraw/zinc/53/77/85/530537785.db2.gz BDMTUEREZGAWDY-ZDUSSCGKSA-N 1 0 393.912 1.592 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H](C)C[NH+]2CCCC2)s1 ZINC000159113897 530540049 /nfs/dbraw/zinc/54/00/49/530540049.db2.gz NAAKUFCNCXKMJP-CYBMUJFWSA-N 1 0 388.559 1.366 20 0 GDADRO CO[C@@H]1CCN(C(=O)c2csc(I)c2)[C@@H](C[NH3+])C1 ZINC000161063229 530557291 /nfs/dbraw/zinc/55/72/91/530557291.db2.gz MVYHNXGZOWOVBT-NXEZZACHSA-N 1 0 380.251 1.931 20 0 GDADRO COC[C@H](C)S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000167075466 530583392 /nfs/dbraw/zinc/58/33/92/530583392.db2.gz FHWYFXLUUHVFFE-RYQLBKOJSA-N 1 0 375.579 1.620 20 0 GDADRO CN1CCN(C(=O)c2cc(Cl)ccc2I)[C@@H](C[NH3+])C1 ZINC000162350648 530567887 /nfs/dbraw/zinc/56/78/87/530567887.db2.gz GLVGQPDERILCBP-JTQLQIEISA-N 1 0 393.656 1.660 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000170862887 530590434 /nfs/dbraw/zinc/59/04/34/530590434.db2.gz YPLFOADSPJZGBV-CQSZACIVSA-N 1 0 385.555 1.628 20 0 GDADRO COCC[N@H+](C)CCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000171127970 530594886 /nfs/dbraw/zinc/59/48/86/530594886.db2.gz OIHZULBEFYFKRU-ZDUSSCGKSA-N 1 0 398.301 1.496 20 0 GDADRO CNC(=O)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000171841801 530604199 /nfs/dbraw/zinc/60/41/99/530604199.db2.gz VDAUOKCRRCBYRA-UHFFFAOYSA-N 1 0 375.441 1.400 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC000031984769 530605037 /nfs/dbraw/zinc/60/50/37/530605037.db2.gz LNHXMWUEQSXFGY-INIZCTEOSA-N 1 0 387.571 1.919 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cnc1Cl ZINC000172258680 530611007 /nfs/dbraw/zinc/61/10/07/530611007.db2.gz SXINJBABYNTBRB-UHFFFAOYSA-N 1 0 388.921 1.122 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000173549678 530632711 /nfs/dbraw/zinc/63/27/11/530632711.db2.gz HIUBAVSTKRNOMG-UHFFFAOYSA-N 1 0 386.290 1.263 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000173703652 530635098 /nfs/dbraw/zinc/63/50/98/530635098.db2.gz YUZVNYHHSCPFFB-CQSZACIVSA-N 1 0 388.921 1.402 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2cccc(Br)c2)(N2CCOCC2)CC1 ZINC000040616299 530620190 /nfs/dbraw/zinc/62/01/90/530620190.db2.gz 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ZINC000175105965 530659082 /nfs/dbraw/zinc/65/90/82/530659082.db2.gz JPNNZVDKAQPOGL-KGLIPLIRSA-N 1 0 387.933 1.950 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000175184225 530659849 /nfs/dbraw/zinc/65/98/49/530659849.db2.gz MFCDMWZMOZGXQO-UHFFFAOYSA-N 1 0 393.285 1.268 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000047773917 530662655 /nfs/dbraw/zinc/66/26/55/530662655.db2.gz OCKCLVQCSCCDDT-CABCVRRESA-N 1 0 385.555 1.892 20 0 GDADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000175275390 530662679 /nfs/dbraw/zinc/66/26/79/530662679.db2.gz QUBXCNNWFGENNG-ZDUSSCGKSA-N 1 0 379.448 1.928 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000175800938 530670273 /nfs/dbraw/zinc/67/02/73/530670273.db2.gz RSEXIEMSDWEINW-UHFFFAOYSA-N 1 0 379.452 1.987 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000176202497 530679037 /nfs/dbraw/zinc/67/90/37/530679037.db2.gz OYMITRCUAZSRDD-UHFFFAOYSA-N 1 0 381.523 1.860 20 0 GDADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176628051 530687036 /nfs/dbraw/zinc/68/70/36/530687036.db2.gz OWXKLPXPIUGNKC-CABCVRRESA-N 1 0 388.555 1.755 20 0 GDADRO CN(CC[NH+](C)C)C(=O)CNC(=O)c1ccccc1I ZINC000176803745 530691458 /nfs/dbraw/zinc/69/14/58/530691458.db2.gz STHIBTYLYUWTFM-UHFFFAOYSA-N 1 0 389.237 1.041 20 0 GDADRO COc1nc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ncc1Br ZINC000176819557 530691485 /nfs/dbraw/zinc/69/14/85/530691485.db2.gz BDFBQUIWNWAUHE-CYBMUJFWSA-N 1 0 384.322 1.854 20 0 GDADRO CCN(CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)S(C)(=O)=O ZINC000054804747 530702574 /nfs/dbraw/zinc/70/25/74/530702574.db2.gz JBEHMCHTWQZFBD-HNNXBMFYSA-N 1 0 376.567 1.468 20 0 GDADRO CSCC[C@@H]1NC(=S)N(Cc2ccnc(N3CC[NH+](C)CC3)c2)C1=O ZINC000055178970 530705471 /nfs/dbraw/zinc/70/54/71/530705471.db2.gz KGSPFVSXZDLAMZ-AWEZNQCLSA-N 1 0 379.555 1.172 20 0 GDADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000055298075 530707691 /nfs/dbraw/zinc/70/76/91/530707691.db2.gz IIJFGKYYVUSOHH-UHFFFAOYSA-N 1 0 388.555 1.975 20 0 GDADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179358210 530739190 /nfs/dbraw/zinc/73/91/90/530739190.db2.gz QBZKKPQLTINIGG-CJNGLKHVSA-N 1 0 382.302 1.630 20 0 GDADRO CC(C)([NH3+])CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000178491844 530722010 /nfs/dbraw/zinc/72/20/10/530722010.db2.gz JLEDRCPYBYNDPK-UHFFFAOYSA-N 1 0 379.935 1.752 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNc1ncnc2ccc(I)cc21 ZINC000178600225 530723695 /nfs/dbraw/zinc/72/36/95/530723695.db2.gz TZFSEUNPBDSXEK-AWEZNQCLSA-N 1 0 386.237 1.959 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000057554295 530726702 /nfs/dbraw/zinc/72/67/02/530726702.db2.gz MPSAFWOLBIAOBR-LBPRGKRZSA-N 1 0 394.269 1.527 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[NH2+]2)ccc1Br ZINC000178729790 530727093 /nfs/dbraw/zinc/72/70/93/530727093.db2.gz KTRVXIFXGQRTTA-NSHDSACASA-N 1 0 390.303 1.181 20 0 GDADRO CN(C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000179093295 530734714 /nfs/dbraw/zinc/73/47/14/530734714.db2.gz LKNPLYPPBCTTCE-CYBMUJFWSA-N 1 0 389.315 1.823 20 0 GDADRO Cn1nnnc1SCCC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000065936562 530757075 /nfs/dbraw/zinc/75/70/75/530757075.db2.gz ZNNOBFZVWZAZAD-UHFFFAOYSA-N 1 0 382.921 1.936 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000066177862 530759564 /nfs/dbraw/zinc/75/95/64/530759564.db2.gz LMFFADPJEKXHJK-ZDUSSCGKSA-N 1 0 390.937 1.648 20 0 GDADRO COc1cc(C[NH2+]C[C@@H]2COCCO2)cc(I)c1OC ZINC000063318982 530744978 /nfs/dbraw/zinc/74/49/78/530744978.db2.gz WLAPHRVPUNOJNV-LLVKDONJSA-N 1 0 393.221 1.813 20 0 GDADRO Cc1nc(C)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)s1 ZINC000181109241 530778318 /nfs/dbraw/zinc/77/83/18/530778318.db2.gz NUWXKHBCYYZIOD-LBPRGKRZSA-N 1 0 383.543 1.997 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000181271138 530780662 /nfs/dbraw/zinc/78/06/62/530780662.db2.gz 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393.285 1.776 20 0 GDADRO CCN(C1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1)S(C)(=O)=O ZINC000085366807 530808904 /nfs/dbraw/zinc/80/89/04/530808904.db2.gz CEEDQQWPTVSROV-CQSZACIVSA-N 1 0 376.567 1.418 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)NC(C)(C)C[NH3+])cc1Br ZINC000183147720 530809826 /nfs/dbraw/zinc/80/98/26/530809826.db2.gz OFEHLBOZMHFGES-UHFFFAOYSA-N 1 0 378.292 1.732 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183196153 530811383 /nfs/dbraw/zinc/81/13/83/530811383.db2.gz UAQJFNAKYPXYOK-SNVBAGLBSA-N 1 0 394.269 1.994 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000183349591 530813512 /nfs/dbraw/zinc/81/35/12/530813512.db2.gz CIXDTHDNMLHTPL-UONOGXRCSA-N 1 0 381.416 1.903 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)s1 ZINC000183363827 530814185 /nfs/dbraw/zinc/81/41/85/530814185.db2.gz SPIXNXGYOHMDTQ-STQMWFEESA-N 1 0 380.557 1.280 20 0 GDADRO C[NH+](C)CC1(CNS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CCCC1 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ZINC000527568165 531331769 /nfs/dbraw/zinc/33/17/69/531331769.db2.gz PHWXFGBFZZJMDM-OPDFLTKYSA-N 1 0 396.289 1.262 20 0 GDADRO C[C@@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCS1 ZINC000411629649 531332181 /nfs/dbraw/zinc/33/21/81/531332181.db2.gz DSFRYVJDVCBIQS-CQSZACIVSA-N 1 0 385.555 1.210 20 0 GDADRO O=c1[nH]c2cc(Br)c(S(=O)(=O)N3CCC[NH2+]CC3)cc2[nH]1 ZINC000440339385 531333978 /nfs/dbraw/zinc/33/39/78/531333978.db2.gz LWMBKGALOVGYKM-UHFFFAOYSA-N 1 0 375.248 1.015 20 0 GDADRO Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000440352710 531334586 /nfs/dbraw/zinc/33/45/86/531334586.db2.gz HAALNUPGXLHEOG-CQSZACIVSA-N 1 0 385.917 1.481 20 0 GDADRO Fc1cc(Br)cnc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000527721947 531334777 /nfs/dbraw/zinc/33/47/77/531334777.db2.gz UUOBPKXBOGSRFR-UHFFFAOYSA-N 1 0 388.281 1.954 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1[nH]nc(C2CC2)c1Br ZINC000278256314 531347602 /nfs/dbraw/zinc/34/76/02/531347602.db2.gz MZDRWTWMDJGAFJ-LLVKDONJSA-N 1 0 398.305 1.509 20 0 GDADRO COc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c(OC)cc1Br ZINC000440851205 531348377 /nfs/dbraw/zinc/34/83/77/531348377.db2.gz VEFQLBVXUREAMA-SCZZXKLOSA-N 1 0 379.276 1.434 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)c2ccc3ncc(I)n3c2)CC[NH2+]1 ZINC000278165791 531339373 /nfs/dbraw/zinc/33/93/73/531339373.db2.gz CCKBGFZOAVVBAZ-MWLCHTKSSA-N 1 0 384.221 1.809 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)NCC3(C)CC[NH2+]CC3)c(Cl)cc21 ZINC000528049577 531340145 /nfs/dbraw/zinc/34/01/45/531340145.db2.gz MWANSQKZWGAAMK-UHFFFAOYSA-N 1 0 385.917 1.917 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000278191522 531341366 /nfs/dbraw/zinc/34/13/66/531341366.db2.gz FMYOJTQGIIVBRW-NWDGAFQWSA-N 1 0 389.905 1.135 20 0 GDADRO Cc1[nH+]ccc(N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1Cl ZINC000478253487 531341430 /nfs/dbraw/zinc/34/14/30/531341430.db2.gz MQGPWHHXOXSQJY-BETUJISGSA-N 1 0 388.921 1.519 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCC(C)(C)C2)cc[nH+]1 ZINC000349569052 531342250 /nfs/dbraw/zinc/34/22/50/531342250.db2.gz HPIALGPAUDIMNQ-HNNXBMFYSA-N 1 0 389.543 1.442 20 0 GDADRO CC(C)n1cc(Br)cc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000266389185 531343615 /nfs/dbraw/zinc/34/36/15/531343615.db2.gz VQBKUTZWCWIBIN-ZDUSSCGKSA-N 1 0 385.306 1.901 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC[C@@H]1[NH3+] ZINC000440760153 531343904 /nfs/dbraw/zinc/34/39/04/531343904.db2.gz YLRGKBHRMNOLNO-SKDRFNHKSA-N 1 0 375.288 1.742 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000440751520 531344101 /nfs/dbraw/zinc/34/41/01/531344101.db2.gz VMAGGIDMAZMFJE-AWEZNQCLSA-N 1 0 375.288 1.832 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000440747240 531344288 /nfs/dbraw/zinc/34/42/88/531344288.db2.gz LPSOLHBBPHILBP-ZANVPECISA-N 1 0 390.303 1.765 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000528288430 531345628 /nfs/dbraw/zinc/34/56/28/531345628.db2.gz WBVNQGJFOCBEFN-ZDUSSCGKSA-N 1 0 386.543 1.472 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cn1 ZINC000440815546 531346040 /nfs/dbraw/zinc/34/60/40/531346040.db2.gz VBNQWCBFNRNBOS-CYBMUJFWSA-N 1 0 384.889 1.955 20 0 GDADRO C[C@H](CNC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)[NH+](C)C ZINC000266435643 531346736 /nfs/dbraw/zinc/34/67/36/531346736.db2.gz LNFFBHFCCCYTHJ-LLVKDONJSA-N 1 0 377.894 1.835 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000440814278 531346735 /nfs/dbraw/zinc/34/67/35/531346735.db2.gz ZTWKZNURDPXONK-MFKMUULPSA-N 1 0 380.919 1.161 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000440843048 531347272 /nfs/dbraw/zinc/34/72/72/531347272.db2.gz MDWYZMSFTGZFSK-CABZTGNLSA-N 1 0 380.388 1.768 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1Br ZINC000292468144 531356827 /nfs/dbraw/zinc/35/68/27/531356827.db2.gz AWKNHOWLNFNFIY-JTQLQIEISA-N 1 0 395.319 1.942 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000292486584 531358423 /nfs/dbraw/zinc/35/84/23/531358423.db2.gz CENOXGBVGMIHID-CQSZACIVSA-N 1 0 391.559 1.193 20 0 GDADRO CC(=O)N1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000441386367 531359762 /nfs/dbraw/zinc/35/97/62/531359762.db2.gz PDJAYEIJBVCDKL-UHFFFAOYSA-N 1 0 377.869 1.358 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000441180877 531354412 /nfs/dbraw/zinc/35/44/12/531354412.db2.gz NOAFZCMZYBIDPO-LLVKDONJSA-N 1 0 394.900 1.397 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)[C@@H](C)C1 ZINC000278501492 531365700 /nfs/dbraw/zinc/36/57/00/531365700.db2.gz CUCDIWDQIGCFII-WDEREUQCSA-N 1 0 387.278 1.067 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)cc1 ZINC000266758301 531367049 /nfs/dbraw/zinc/36/70/49/531367049.db2.gz FVWVUQZXFXUTJL-UHFFFAOYSA-N 1 0 391.559 1.382 20 0 GDADRO COc1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)c(Br)c1 ZINC000441930321 531367589 /nfs/dbraw/zinc/36/75/89/531367589.db2.gz SAICPLRYTYSWBK-UHFFFAOYSA-N 1 0 384.274 1.949 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000441974280 531367706 /nfs/dbraw/zinc/36/77/06/531367706.db2.gz IBMLFGICONNAPG-NSHDSACASA-N 1 0 382.258 1.749 20 0 GDADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC000412423714 531369985 /nfs/dbraw/zinc/36/99/85/531369985.db2.gz YOCRWARIKHKNMH-HZPDHXFCSA-N 1 0 376.567 1.224 20 0 GDADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC000412423711 531370549 /nfs/dbraw/zinc/37/05/49/531370549.db2.gz YOCRWARIKHKNMH-CVEARBPZSA-N 1 0 376.567 1.224 20 0 GDADRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)sc1S(N)(=O)=O ZINC000442288704 531371743 /nfs/dbraw/zinc/37/17/43/531371743.db2.gz ZNTQZBCPZBIOLY-WDEREUQCSA-N 1 0 375.516 1.397 20 0 GDADRO COc1cc(I)ccc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000528690450 531372227 /nfs/dbraw/zinc/37/22/27/531372227.db2.gz CSCPAMWVTCIVBR-JTQLQIEISA-N 1 0 391.209 1.410 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000443084851 531385410 /nfs/dbraw/zinc/38/54/10/531385410.db2.gz IPYMYUKNXHTWQV-UHFFFAOYSA-N 1 0 384.483 1.077 20 0 GDADRO Cc1c([C@H](C)NC[C@@H]2COCC[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000530223778 531390386 /nfs/dbraw/zinc/39/03/86/531390386.db2.gz PSAPOZBXLOZSLP-SMDDNHRTSA-N 1 0 380.290 1.977 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cnn(C)c1I ZINC000292968678 531393067 /nfs/dbraw/zinc/39/30/67/531393067.db2.gz BXDJXNLQWUVHAS-UHFFFAOYSA-N 1 0 376.242 1.439 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC000278647452 531376796 /nfs/dbraw/zinc/37/67/96/531376796.db2.gz DSUFYCPYSHZVAO-UHFFFAOYSA-N 1 0 389.905 1.042 20 0 GDADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000480733067 531377146 /nfs/dbraw/zinc/37/71/46/531377146.db2.gz GANQONSGOYDWRS-ZDUSSCGKSA-N 1 0 389.543 1.136 20 0 GDADRO CC[C@@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)[C@H](O)C(F)(F)F ZINC000480909975 531382089 /nfs/dbraw/zinc/38/20/89/531382089.db2.gz LPLWPPULIOQDNQ-YPMHNXCESA-N 1 0 386.440 1.042 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000529302928 531382469 /nfs/dbraw/zinc/38/24/69/531382469.db2.gz PEJIGTZMBJOWLG-ZIAGYGMSSA-N 1 0 383.290 1.315 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)CN2C(=S)N=NC2c2cccs2)CCSC1 ZINC000267095849 531396755 /nfs/dbraw/zinc/39/67/55/531396755.db2.gz JLMXQSXKUUDKAE-OAHLLOKOSA-N 1 0 383.568 1.849 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[N@H+](C)C(C)C)cc1F ZINC000444165027 531396770 /nfs/dbraw/zinc/39/67/70/531396770.db2.gz FKENDAGMDHAOKI-UHFFFAOYSA-N 1 0 395.522 1.596 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c2cccnc12 ZINC000531129578 531405931 /nfs/dbraw/zinc/40/59/31/531405931.db2.gz WICLGUYOXWEENT-QGZVFWFLSA-N 1 0 381.523 1.959 20 0 GDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000483132072 531408043 /nfs/dbraw/zinc/40/80/43/531408043.db2.gz VJPIYOLFJPSOPM-HNNXBMFYSA-N 1 0 384.311 1.427 20 0 GDADRO Cc1c(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cnn1-c1ccccn1 ZINC000267182296 531408535 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CS[C@H]1CN(C(=O)c2cccc(S(N)(=O)=O)c2C)C[C@@H]1[NH+]1CCCC1 ZINC000483389740 531412109 /nfs/dbraw/zinc/41/21/09/531412109.db2.gz FSMFEFBDLMEJBH-GJZGRUSLSA-N 1 0 383.539 1.294 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3nn(C)cc3Br)CC2)CC1 ZINC000483637295 531412814 /nfs/dbraw/zinc/41/28/14/531412814.db2.gz SLWNBPRACCRSMY-UHFFFAOYSA-N 1 0 398.349 1.813 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 ZINC000267253693 531415123 /nfs/dbraw/zinc/41/51/23/531415123.db2.gz ZWDAOHQSLDBOMX-UHFFFAOYSA-N 1 0 390.527 1.944 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1I)[N@@H+]1CCC[C@@H](C)C1 ZINC000293425881 531420125 /nfs/dbraw/zinc/42/01/25/531420125.db2.gz IYZMDGQWASTMQW-MNOVXSKESA-N 1 0 390.269 1.875 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000447243519 531422148 /nfs/dbraw/zinc/42/21/48/531422148.db2.gz IZIINWRYOLWERX-KGLIPLIRSA-N 1 0 389.543 1.136 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000447245122 531422339 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CC(C)C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)N1CCOCC1 ZINC000414283266 531437885 /nfs/dbraw/zinc/43/78/85/531437885.db2.gz OWKWNLUXMZRFPP-HNNXBMFYSA-N 1 0 389.949 1.824 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000485667905 531438482 /nfs/dbraw/zinc/43/84/82/531438482.db2.gz BDIQVEYQRBVDNL-LLVKDONJSA-N 1 0 379.404 1.787 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000485667906 531438695 /nfs/dbraw/zinc/43/86/95/531438695.db2.gz BDIQVEYQRBVDNL-NSHDSACASA-N 1 0 379.404 1.787 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cnc4ccsc4c3)C2)CC1 ZINC000267611478 531438996 /nfs/dbraw/zinc/43/89/96/531438996.db2.gz HTUZQXLCTQIAFG-AWEZNQCLSA-N 1 0 380.539 1.697 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)s1 ZINC000414326086 531439943 /nfs/dbraw/zinc/43/99/43/531439943.db2.gz DOCWJRFRXHFOTP-JTQLQIEISA-N 1 0 377.434 1.959 20 0 GDADRO C[N@H+](CC(=O)NC1CCC(C(=O)N2CCSCC2)CC1)[C@@H]1CCSC1 ZINC000486110041 531446239 /nfs/dbraw/zinc/44/62/39/531446239.db2.gz ZAYKUFZIMNRDCP-UYSNPLJNSA-N 1 0 385.599 1.674 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cc[nH]c(=O)c3Br)[C@H]2C1 ZINC000293959059 531453427 /nfs/dbraw/zinc/45/34/27/531453427.db2.gz SSDMPMQMKXFMPJ-QWHCGFSZSA-N 1 0 384.274 1.414 20 0 GDADRO Cc1cc(S(=O)(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c(C)o1 ZINC000414457880 531454611 /nfs/dbraw/zinc/45/46/11/531454611.db2.gz LMXLKCRCLSANBM-CQSZACIVSA-N 1 0 378.516 1.026 20 0 GDADRO CCc1cccc(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000414463392 531455082 /nfs/dbraw/zinc/45/50/82/531455082.db2.gz VLBBIADOUPNIQJ-INIZCTEOSA-N 1 0 388.555 1.379 20 0 GDADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@H](C)CS(C)(=O)=O)cc1Br ZINC000449598832 531473315 /nfs/dbraw/zinc/47/33/15/531473315.db2.gz JFLFYQQESJFMGD-TZMCWYRMSA-N 1 0 378.332 1.931 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415306579 531473366 /nfs/dbraw/zinc/47/33/66/531473366.db2.gz LSDSSXOKJWKFDS-UHFFFAOYSA-N 1 0 383.290 1.714 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000449709167 531474141 /nfs/dbraw/zinc/47/41/41/531474141.db2.gz IEFKTJSEJVCLCM-ZYHUDNBSSA-N 1 0 394.269 1.679 20 0 GDADRO CNS(=O)(=O)[C@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000363181114 531474655 /nfs/dbraw/zinc/47/46/55/531474655.db2.gz RVCSOMHJWJOKEQ-AWEZNQCLSA-N 1 0 384.889 1.946 20 0 GDADRO O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415323673 531474891 /nfs/dbraw/zinc/47/48/91/531474891.db2.gz GRBYIWGJUBIERU-MRVPVSSYSA-N 1 0 396.163 1.764 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000449729233 531475126 /nfs/dbraw/zinc/47/51/26/531475126.db2.gz ZCOSYUITLCFFJD-CYBMUJFWSA-N 1 0 381.420 1.727 20 0 GDADRO C[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000449729916 531475239 /nfs/dbraw/zinc/47/52/39/531475239.db2.gz ORARUMQQOCMYEP-GXFFZTMASA-N 1 0 381.420 1.436 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(F)(F)F ZINC000449723114 531475287 /nfs/dbraw/zinc/47/52/87/531475287.db2.gz QPLUAPOTKGZWFW-WDEREUQCSA-N 1 0 399.460 1.687 20 0 GDADRO [NH3+]CC[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(F)(F)F ZINC000449723112 531475379 /nfs/dbraw/zinc/47/53/79/531475379.db2.gz QPLUAPOTKGZWFW-MNOVXSKESA-N 1 0 399.460 1.687 20 0 GDADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C(=O)N1CCC[NH2+]CC1 ZINC000415325801 531475467 /nfs/dbraw/zinc/47/54/67/531475467.db2.gz WCEMYCHMLJSZHJ-UHFFFAOYSA-N 1 0 382.251 1.940 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000415327621 531475695 /nfs/dbraw/zinc/47/56/95/531475695.db2.gz LEOXXJKJVPDERO-UHFFFAOYSA-N 1 0 378.782 1.319 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000487598218 531475757 /nfs/dbraw/zinc/47/57/57/531475757.db2.gz NEBNQIWKBYTCQB-BYCMXARLSA-N 1 0 380.286 1.646 20 0 GDADRO O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415340692 531476652 /nfs/dbraw/zinc/47/66/52/531476652.db2.gz XGDCYJCUWHPHRE-NSHDSACASA-N 1 0 382.251 1.655 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415343041 531476663 /nfs/dbraw/zinc/47/66/63/531476663.db2.gz KNLKGHAUCNIUJY-SNVBAGLBSA-N 1 0 377.242 1.756 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCc2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000415351917 531477330 /nfs/dbraw/zinc/47/73/30/531477330.db2.gz KHDMCJVBLSZCRC-DGCLKSJQSA-N 1 0 380.286 1.843 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1OC ZINC000279844102 531458174 /nfs/dbraw/zinc/45/81/74/531458174.db2.gz RSAMHVKXQUCJJS-LBPRGKRZSA-N 1 0 391.921 1.271 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000267869827 531458559 /nfs/dbraw/zinc/45/85/59/531458559.db2.gz JXILOANAHDXNKH-UHFFFAOYSA-N 1 0 388.237 1.100 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccccc1I ZINC000414667664 531461613 /nfs/dbraw/zinc/46/16/13/531461613.db2.gz YKHAYAMXTQCFBW-SNVBAGLBSA-N 1 0 375.210 1.791 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415348722 531477494 /nfs/dbraw/zinc/47/74/94/531477494.db2.gz WCAXRUIXCYBRCK-SNVBAGLBSA-N 1 0 377.242 1.756 20 0 GDADRO CCOCCOc1ccc(Br)cc1CNC[C@@H]1C[NH2+]CCN1C ZINC000414968638 531464000 /nfs/dbraw/zinc/46/40/00/531464000.db2.gz RZRSFQNVPOXFIF-INIZCTEOSA-N 1 0 386.334 1.858 20 0 GDADRO CS[C@@H]1CN(c2ncc(C(=O)N3CCOCC3)cc2Cl)C[C@@H]1[NH+](C)C ZINC000538095889 531465463 /nfs/dbraw/zinc/46/54/63/531465463.db2.gz HATMMKGCXOOYKG-LSDHHAIUSA-N 1 0 384.933 1.689 20 0 GDADRO COc1cc(CN(C)C[C@@H](O)C[NH3+])cc(I)c1OC ZINC000415067227 531465952 /nfs/dbraw/zinc/46/59/52/531465952.db2.gz KCXFTTGZDYQGHA-JTQLQIEISA-N 1 0 380.226 1.060 20 0 GDADRO COc1c(Br)cc(Br)cc1CN(C)C[C@H](O)C[NH3+] ZINC000415052739 531466094 /nfs/dbraw/zinc/46/60/94/531466094.db2.gz IVFWVAGNMQMYOA-SNVBAGLBSA-N 1 0 382.096 1.972 20 0 GDADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000268011976 531466959 /nfs/dbraw/zinc/46/69/59/531466959.db2.gz WXZFLHARJJORGA-MRXNPFEDSA-N 1 0 386.543 1.462 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@H](O)COC ZINC000449201390 531467631 /nfs/dbraw/zinc/46/76/31/531467631.db2.gz DNALBXVNVUSPLR-RISCZKNCSA-N 1 0 389.290 1.449 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)cc2Cl)CC1 ZINC000538346257 531468787 /nfs/dbraw/zinc/46/87/87/531468787.db2.gz JCPYBDQGBHHKEP-UHFFFAOYSA-N 1 0 389.905 1.218 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)Nc2cccc(F)c2I)CC1 ZINC000415264089 531468865 /nfs/dbraw/zinc/46/88/65/531468865.db2.gz IPDLWLREHICKIQ-UHFFFAOYSA-N 1 0 391.184 1.319 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC1 ZINC000415265971 531469117 /nfs/dbraw/zinc/46/91/17/531469117.db2.gz KVIBWYJANZPAJV-UHFFFAOYSA-N 1 0 382.917 1.781 20 0 GDADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCc2nn(C)cc2Br)c1 ZINC000415248170 531469511 /nfs/dbraw/zinc/46/95/11/531469511.db2.gz CBMKODJAKFGIJV-UHFFFAOYSA-N 1 0 394.273 1.547 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000449409473 531470150 /nfs/dbraw/zinc/47/01/50/531470150.db2.gz UBPZFQXAHQINRA-YGRLFVJLSA-N 1 0 380.279 1.658 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000415292917 531471118 /nfs/dbraw/zinc/47/11/18/531471118.db2.gz KUDQDAFNKUXAOS-SECBINFHSA-N 1 0 380.164 1.966 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)C1 ZINC000415288244 531471874 /nfs/dbraw/zinc/47/18/74/531471874.db2.gz YCMJRYBXVJAKIC-NSHDSACASA-N 1 0 384.274 1.854 20 0 GDADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000539855425 531472000 /nfs/dbraw/zinc/47/20/00/531472000.db2.gz WRUPOCGYXIUFSC-UHFFFAOYSA-N 1 0 386.905 1.948 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000415300465 531472793 /nfs/dbraw/zinc/47/27/93/531472793.db2.gz OWTPKXYVSHMVON-ZDUSSCGKSA-N 1 0 395.301 1.808 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2OC(F)(F)F)C1 ZINC000415354941 531478624 /nfs/dbraw/zinc/47/86/24/531478624.db2.gz ODRYCAYJRBTGBC-QMMMGPOBSA-N 1 0 396.163 1.846 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC000415360348 531478990 /nfs/dbraw/zinc/47/89/90/531478990.db2.gz LUPOWRKDUWPPJS-UHFFFAOYSA-N 1 0 397.298 1.771 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415363727 531479169 /nfs/dbraw/zinc/47/91/69/531479169.db2.gz FIODKEWNIPAAND-UHFFFAOYSA-N 1 0 394.273 1.358 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000415367191 531479535 /nfs/dbraw/zinc/47/95/35/531479535.db2.gz XVSHWONZIMIZCX-LBPRGKRZSA-N 1 0 387.221 1.440 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000415369558 531479639 /nfs/dbraw/zinc/47/96/39/531479639.db2.gz MJZVYZNXKJRJBO-JTQLQIEISA-N 1 0 387.267 1.245 20 0 GDADRO C[NH+](C)CCCN(C(=O)/C=C/SCc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000268157713 531479825 /nfs/dbraw/zinc/47/98/25/531479825.db2.gz HLKVYPABRVMDHQ-VQCVXAJWSA-N 1 0 386.539 1.994 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415384807 531481439 /nfs/dbraw/zinc/48/14/39/531481439.db2.gz AFCFOQUBCUMNGW-LLVKDONJSA-N 1 0 384.274 1.902 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)C1 ZINC000415399342 531482351 /nfs/dbraw/zinc/48/23/51/531482351.db2.gz URNALVKLPLYMKT-NSHDSACASA-N 1 0 384.274 1.773 20 0 GDADRO C[C@@H]1CN(C(=O)c2c(Br)cnn2C)CCN1C1CC[NH+](C)CC1 ZINC000450363632 531493332 /nfs/dbraw/zinc/49/33/32/531493332.db2.gz KXGDATFIESEDIS-GFCCVEGCSA-N 1 0 384.322 1.423 20 0 GDADRO CCCN(C(=O)C(=O)Nc1cc(Br)ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000415403553 531483175 /nfs/dbraw/zinc/48/31/75/531483175.db2.gz LPNZDJSGFXRHNM-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000415406540 531483344 /nfs/dbraw/zinc/48/33/44/531483344.db2.gz DQOOUVSPBYUZDC-VIFPVBQESA-N 1 0 388.262 1.377 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1Br ZINC000415415904 531484123 /nfs/dbraw/zinc/48/41/23/531484123.db2.gz MKAZQLHWYMFNPC-SECBINFHSA-N 1 0 388.262 1.377 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CC[NH2+]1 ZINC000415409479 531484177 /nfs/dbraw/zinc/48/41/77/531484177.db2.gz DMBIIRYNEHMHGX-JTQLQIEISA-N 1 0 382.251 1.938 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415546057 531493400 /nfs/dbraw/zinc/49/34/00/531493400.db2.gz MKTOBXCBHPBHSX-UHFFFAOYSA-N 1 0 393.079 1.828 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415429785 531484942 /nfs/dbraw/zinc/48/49/42/531484942.db2.gz DVRCPIBCQISIHD-ZYHUDNBSSA-N 1 0 384.274 1.900 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)CC[NH2+]1 ZINC000415425890 531485364 /nfs/dbraw/zinc/48/53/64/531485364.db2.gz DFNXGSILZWUNFO-SNVBAGLBSA-N 1 0 377.242 1.756 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC[NH2+]1 ZINC000415435031 531486092 /nfs/dbraw/zinc/48/60/92/531486092.db2.gz NHMNHDFWLWLUFZ-JTQLQIEISA-N 1 0 377.242 1.756 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cc2cccnc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000450118719 531486540 /nfs/dbraw/zinc/48/65/40/531486540.db2.gz AUHBPFRHIQXNFV-AWEZNQCLSA-N 1 0 381.523 1.877 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc2c(Br)ccnc12)C1CC1 ZINC000415448952 531487188 /nfs/dbraw/zinc/48/71/88/531487188.db2.gz IRGZRRQKPCJIKC-ZDUSSCGKSA-N 1 0 377.242 1.789 20 0 GDADRO C[C@@](O)(C[N@@H+]1CC[C@@](O)(C(N)=O)C1)c1ccc(Br)cc1Cl ZINC000294596994 531487599 /nfs/dbraw/zinc/48/75/99/531487599.db2.gz NJSZLXVADPXPJP-KGLIPLIRSA-N 1 0 377.666 1.232 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCC(C)(C)[NH3+])nn1-c1ccc(Cl)c(Cl)c1 ZINC000415462895 531487630 /nfs/dbraw/zinc/48/76/30/531487630.db2.gz IDYPACMIPGTVFS-UHFFFAOYSA-N 1 0 384.267 2.280 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1)C1CC1 ZINC000415452750 531487697 /nfs/dbraw/zinc/48/76/97/531487697.db2.gz MJRRLUPBODHKOF-LBPRGKRZSA-N 1 0 383.239 1.366 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[C@H]1[NH3+] ZINC000415457273 531487999 /nfs/dbraw/zinc/48/79/99/531487999.db2.gz XJWZEEXVTKUPEH-OIBJUYFYSA-N 1 0 376.201 1.862 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415468621 531489167 /nfs/dbraw/zinc/48/91/67/531489167.db2.gz KMVIANMVHUUSCO-CYBMUJFWSA-N 1 0 395.301 1.938 20 0 GDADRO CCOc1c(Br)cc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000545153414 531489323 /nfs/dbraw/zinc/48/93/23/531489323.db2.gz KPFFPFKCGUOWCV-MRXNPFEDSA-N 1 0 387.274 1.653 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(I)c1 ZINC000415505560 531490686 /nfs/dbraw/zinc/49/06/86/531490686.db2.gz YCFLLFHMUCKGDM-LBPRGKRZSA-N 1 0 389.237 1.863 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000415501497 531491054 /nfs/dbraw/zinc/49/10/54/531491054.db2.gz RKRWZSICDRLLAN-LLVKDONJSA-N 1 0 375.878 1.316 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415502095 531491184 /nfs/dbraw/zinc/49/11/84/531491184.db2.gz SPRSKKAGKJFJON-JTQLQIEISA-N 1 0 394.273 1.965 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)cc1C(=O)OC ZINC000415521561 531491935 /nfs/dbraw/zinc/49/19/35/531491935.db2.gz UHZQZAXSFFDDHQ-UHFFFAOYSA-N 1 0 386.246 1.290 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415538973 531492413 /nfs/dbraw/zinc/49/24/13/531492413.db2.gz UHHBGMUEFHPCJE-UHFFFAOYSA-N 1 0 396.163 1.622 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415541478 531492793 /nfs/dbraw/zinc/49/27/93/531492793.db2.gz NVFKZDOJNMDQIX-VHSXEESVSA-N 1 0 384.249 1.673 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415664598 531510577 /nfs/dbraw/zinc/51/05/77/531510577.db2.gz UHMUCEZZHUYHOD-PWSUYJOCSA-N 1 0 384.274 1.819 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccccc1I ZINC000415663866 531510938 /nfs/dbraw/zinc/51/09/38/531510938.db2.gz ZHVNNEFEHBKHCF-SECBINFHSA-N 1 0 375.210 1.344 20 0 GDADRO C[C@H]([N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)(C)O ZINC000295079705 531519502 /nfs/dbraw/zinc/51/95/02/531519502.db2.gz DHYSIUBLFJTPKY-NSHDSACASA-N 1 0 391.921 1.620 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC[NH2+]1 ZINC000415670336 531511849 /nfs/dbraw/zinc/51/18/49/531511849.db2.gz IKHODZWKKUGQLZ-NSHDSACASA-N 1 0 384.278 1.506 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000581727091 531512740 /nfs/dbraw/zinc/51/27/40/531512740.db2.gz GBGFNRGUWNXTQM-NOZJJQNGSA-N 1 0 379.404 1.226 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1CS(=O)(=O)NC)CC(C)C ZINC000489923876 531514896 /nfs/dbraw/zinc/51/48/96/531514896.db2.gz OVHPNEVEPYCSTK-HZPDHXFCSA-N 1 0 376.567 1.466 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1Br ZINC000415696044 531515634 /nfs/dbraw/zinc/51/56/34/531515634.db2.gz UADAWYYLQPLOKS-QGZVFWFLSA-N 1 0 397.317 1.647 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489985753 531516744 /nfs/dbraw/zinc/51/67/44/531516744.db2.gz BSWXGNVSRQCWFO-CYBMUJFWSA-N 1 0 388.331 1.426 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581835629 531517438 /nfs/dbraw/zinc/51/74/38/531517438.db2.gz FVZBKTQSAWRQBA-KCJUWKMLSA-N 1 0 379.251 1.579 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC000415548663 531493701 /nfs/dbraw/zinc/49/37/01/531493701.db2.gz FNNCKORBMQPPRX-UHFFFAOYSA-N 1 0 396.285 1.998 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415556533 531494377 /nfs/dbraw/zinc/49/43/77/531494377.db2.gz IJEZHUAUQOGVRF-VHSXEESVSA-N 1 0 381.274 1.869 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415554097 531494638 /nfs/dbraw/zinc/49/46/38/531494638.db2.gz HBUMTDZRNFNAII-WDEREUQCSA-N 1 0 384.274 1.913 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415561948 531495491 /nfs/dbraw/zinc/49/54/91/531495491.db2.gz WVORNYORAOSZJB-QMMMGPOBSA-N 1 0 376.226 1.779 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000556514765 531496829 /nfs/dbraw/zinc/49/68/29/531496829.db2.gz JPZFANCHUQEZOZ-UHFFFAOYSA-N 1 0 380.392 1.327 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)[C@H](C)C[NH2+]1 ZINC000415568405 531496737 /nfs/dbraw/zinc/49/67/37/531496737.db2.gz QVCHHLKCAQWNJR-HTQZYQBOSA-N 1 0 376.201 1.875 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)[C@H](C)C[NH2+]1 ZINC000415570741 531496944 /nfs/dbraw/zinc/49/69/44/531496944.db2.gz SROAOJBBRDEYHU-HTQZYQBOSA-N 1 0 376.201 1.875 20 0 GDADRO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435229 531497430 /nfs/dbraw/zinc/49/74/30/531497430.db2.gz BOWUPNSRYBDXLK-SNVBAGLBSA-N 1 0 392.319 1.519 20 0 GDADRO O=S1(=O)CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000581544273 531497911 /nfs/dbraw/zinc/49/79/11/531497911.db2.gz VDBKTBVRKXQMAJ-JSGCOSHPSA-N 1 0 381.416 1.860 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000610134869 531497914 /nfs/dbraw/zinc/49/79/14/531497914.db2.gz CBGNRLFBBZHCIN-GOEBONIOSA-N 1 0 375.535 1.311 20 0 GDADRO Cc1cc2cc(C(=O)NCC(=O)N3CC[NH2+]CC3)oc2c(Br)c1 ZINC000581543189 531498013 /nfs/dbraw/zinc/49/80/13/531498013.db2.gz QLVGBBQHUOFWHB-UHFFFAOYSA-N 1 0 380.242 1.665 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415586338 531498386 /nfs/dbraw/zinc/49/83/86/531498386.db2.gz BNGUWTQXUKACHS-QGZVFWFLSA-N 1 0 396.285 1.998 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415581336 531498668 /nfs/dbraw/zinc/49/86/68/531498668.db2.gz NHYADGWERORGKC-CYZMBNFOSA-N 1 0 396.285 1.982 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000415580834 531498722 /nfs/dbraw/zinc/49/87/22/531498722.db2.gz FTROHQRXUUXDLF-SUHUHFCYSA-N 1 0 396.285 1.982 20 0 GDADRO OC1CCN(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000294836092 531501880 /nfs/dbraw/zinc/50/18/80/531501880.db2.gz MBWICGMLNIWIJH-UHFFFAOYSA-N 1 0 398.345 1.832 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)s1 ZINC000280501612 531503824 /nfs/dbraw/zinc/50/38/24/531503824.db2.gz HUAPPJSBELVIER-INIZCTEOSA-N 1 0 388.555 1.951 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635725410 531505770 /nfs/dbraw/zinc/50/57/70/531505770.db2.gz RYMQRJIFMFXAPK-LBPRGKRZSA-N 1 0 391.946 1.813 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415647656 531506095 /nfs/dbraw/zinc/50/60/95/531506095.db2.gz FQTNNWRQGXVZHZ-PRHODGIISA-N 1 0 388.251 1.833 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)C1 ZINC000635750307 531506437 /nfs/dbraw/zinc/50/64/37/531506437.db2.gz MBSIIVZQCNWGTB-MLGOLLRUSA-N 1 0 380.286 1.790 20 0 GDADRO CN(C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000557012190 531506404 /nfs/dbraw/zinc/50/64/04/531506404.db2.gz WBYVSUMYDCMHKT-GFCCVEGCSA-N 1 0 384.278 1.506 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415627947 531507346 /nfs/dbraw/zinc/50/73/46/531507346.db2.gz TVMAELUBPCTRKT-ZANVPECISA-N 1 0 398.257 1.288 20 0 GDADRO [NH3+]CCn1cc(C(=O)NCc2ccc(Br)cc2C(F)(F)F)nn1 ZINC000581678315 531509243 /nfs/dbraw/zinc/50/92/43/531509243.db2.gz JJHLMLZLNWDVDZ-UHFFFAOYSA-N 1 0 392.179 1.948 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000581874827 531519346 /nfs/dbraw/zinc/51/93/46/531519346.db2.gz GYWYAGBGJBNDJM-INIZCTEOSA-N 1 0 376.284 1.542 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415664916 531510409 /nfs/dbraw/zinc/51/04/09/531510409.db2.gz USDGXZRGSQWPDF-CMPLNLGQSA-N 1 0 384.274 1.901 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)C1 ZINC000548936228 531520348 /nfs/dbraw/zinc/52/03/48/531520348.db2.gz OIOZJOKWVRAFJF-AAEUAGOBSA-N 1 0 382.404 1.490 20 0 GDADRO C[C@H]1CN(c2ccc(I)cn2)CC[N@@H+]1CC(C)(C)O ZINC000295089771 531520945 /nfs/dbraw/zinc/52/09/45/531520945.db2.gz SCOXZZJRDSCUQD-NSHDSACASA-N 1 0 375.254 1.968 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415737473 531522227 /nfs/dbraw/zinc/52/22/27/531522227.db2.gz CPYUWKAZVLRIQA-GXTWGEPZSA-N 1 0 396.285 1.901 20 0 GDADRO COCC(=O)N1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000581879380 531522210 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COc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Br ZINC000415760331 531525552 /nfs/dbraw/zinc/52/55/52/531525552.db2.gz FYGWRNBICRPWIJ-ZWNOBZJWSA-N 1 0 382.258 1.607 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1)[NH+](C)C ZINC000490360785 531525755 /nfs/dbraw/zinc/52/57/55/531525755.db2.gz DKIQTABTXFCKGB-SECBINFHSA-N 1 0 385.255 1.579 20 0 GDADRO CN(C(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1)C1CC([NH3+])C1 ZINC000415795465 531532592 /nfs/dbraw/zinc/53/25/92/531532592.db2.gz YJUQYKVEBVNCJA-UHFFFAOYSA-N 1 0 392.257 1.521 20 0 GDADRO CN(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C1(C[NH3+])CCC1 ZINC000581997931 531526642 /nfs/dbraw/zinc/52/66/42/531526642.db2.gz LGGQSMWLPZWJSZ-UHFFFAOYSA-N 1 0 385.555 1.805 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415773766 531527005 /nfs/dbraw/zinc/52/70/05/531527005.db2.gz WQNAXXHNTJRTTQ-YPMHNXCESA-N 1 0 396.285 1.997 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(I)cc1OC ZINC000415780565 531528285 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CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415846020 531542033 /nfs/dbraw/zinc/54/20/33/531542033.db2.gz BLKVQKHOPLJXBD-CYBMUJFWSA-N 1 0 384.933 1.799 20 0 GDADRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000558036537 531543079 /nfs/dbraw/zinc/54/30/79/531543079.db2.gz RCGDVZIQMKFMKN-UHFFFAOYSA-N 1 0 389.543 1.742 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C[C@@H]1C[NH3+] ZINC000415855740 531543528 /nfs/dbraw/zinc/54/35/28/531543528.db2.gz YXMCPSAXTHGDEA-MNOVXSKESA-N 1 0 387.889 1.125 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000490710126 531543726 /nfs/dbraw/zinc/54/37/26/531543726.db2.gz LGAQTONIXLLFLY-NSHDSACASA-N 1 0 384.274 1.949 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CCCO1 ZINC000415858276 531544138 /nfs/dbraw/zinc/54/41/38/531544138.db2.gz JIBKGPCYGYEQRP-JTQLQIEISA-N 1 0 390.665 1.617 20 0 GDADRO C[C@@H]([NH2+]CCSCCCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280820283 531544190 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CC[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1nc(C(F)(F)F)cs1 ZINC000659682076 531553500 /nfs/dbraw/zinc/55/35/00/531553500.db2.gz GJVBZEWQWAWFCE-PUUHTONNSA-N 1 0 376.404 1.597 20 0 GDADRO COC(=O)CC1([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CCS(=O)(=O)CC1 ZINC000558125279 531549655 /nfs/dbraw/zinc/54/96/55/531549655.db2.gz ZTCFAJGSBJOQNJ-OAHLLOKOSA-N 1 0 389.901 1.344 20 0 GDADRO CC[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280867989 531550414 /nfs/dbraw/zinc/55/04/14/531550414.db2.gz NMIVQDLWFQGYEL-GOEBONIOSA-N 1 0 388.965 1.535 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)CC[C@H]1F ZINC000659674360 531551376 /nfs/dbraw/zinc/55/13/76/531551376.db2.gz GGGOJVCJUFITFP-VXGBXAGGSA-N 1 0 376.201 1.102 20 0 GDADRO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000451115717 531551324 /nfs/dbraw/zinc/55/13/24/531551324.db2.gz PBANIIWQZAAQTB-KRWDZBQOSA-N 1 0 392.587 1.339 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000659679905 531551656 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ZINC000659708600 531555238 /nfs/dbraw/zinc/55/52/38/531555238.db2.gz XQKXGNYCDIVPNA-ZETCQYMHSA-N 1 0 384.210 1.935 20 0 GDADRO C[C@H](NC(=O)Nc1ccncc1I)C1CC[NH+](C)CC1 ZINC000612755521 531555878 /nfs/dbraw/zinc/55/58/78/531555878.db2.gz OOLUTCJCVHVMPB-JTQLQIEISA-N 1 0 388.253 1.960 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2c(Br)cnn2C)cc1O ZINC000558422872 531558585 /nfs/dbraw/zinc/55/85/85/531558585.db2.gz XNSXEYMOVARQOQ-LBPRGKRZSA-N 1 0 384.274 1.838 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N[C@]2(C)CC[NH2+]C2)s1 ZINC000612874209 531558605 /nfs/dbraw/zinc/55/86/05/531558605.db2.gz BYKNFCMQMPZKFK-MRXNPFEDSA-N 1 0 388.559 1.372 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)N1CCc2c(Br)cccc2C1)C1CC1 ZINC000552749199 531558781 /nfs/dbraw/zinc/55/87/81/531558781.db2.gz XRPVJUDCCLWXES-UHFFFAOYSA-N 1 0 394.313 1.934 20 0 GDADRO CCOCCNC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636509969 531558843 /nfs/dbraw/zinc/55/88/43/531558843.db2.gz QIGATMPGEOKRNB-CQSZACIVSA-N 1 0 376.284 1.865 20 0 GDADRO C[C@]1(NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[NH2+]C1 ZINC000612882280 531559837 /nfs/dbraw/zinc/55/98/37/531559837.db2.gz FOGAESPVPCEQER-HNNXBMFYSA-N 1 0 379.262 1.785 20 0 GDADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CCN1C ZINC000295321253 531560284 /nfs/dbraw/zinc/56/02/84/531560284.db2.gz WKWRNFQMNMGVJB-RYUDHWBXSA-N 1 0 394.946 1.847 20 0 GDADRO COCC[C@H](C)S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000558436601 531560817 /nfs/dbraw/zinc/56/08/17/531560817.db2.gz LLCZOXXLIUAXKH-RDJZCZTQSA-N 1 0 378.579 1.935 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000659757201 531561514 /nfs/dbraw/zinc/56/15/14/531561514.db2.gz VUIQRKFNUQIZNK-OTYXRUKQSA-N 1 0 392.258 1.757 20 0 GDADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000451176988 531561735 /nfs/dbraw/zinc/56/17/35/531561735.db2.gz SRGDJDSBIPQGHV-CHWSQXEVSA-N 1 0 386.436 1.761 20 0 GDADRO C[NH+](C)C[C@H]1CN(CC(=O)c2c[nH]c3ncc(Br)cc23)CCO1 ZINC000659899175 531568013 /nfs/dbraw/zinc/56/80/13/531568013.db2.gz HAHTXMMGEXHYMT-LBPRGKRZSA-N 1 0 381.274 1.771 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1Br ZINC000280985444 531563163 /nfs/dbraw/zinc/56/31/63/531563163.db2.gz JBVMHOXSDYRNEW-HNNXBMFYSA-N 1 0 390.253 1.264 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000492870861 531568184 /nfs/dbraw/zinc/56/81/84/531568184.db2.gz HMVQKLVCLCKCOT-UHFFFAOYSA-N 1 0 382.302 1.751 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)Oc1ccccc1Br ZINC000659702510 531554274 /nfs/dbraw/zinc/55/42/74/531554274.db2.gz RABRYSHYKGCOMK-LBPRGKRZSA-N 1 0 398.301 1.720 20 0 GDADRO C[C@H](CNC(=O)COc1ccc(I)cc1)C[NH+](C)C ZINC000552240299 531554573 /nfs/dbraw/zinc/55/45/73/531554573.db2.gz OSBPJRHQRCMALH-LLVKDONJSA-N 1 0 376.238 1.984 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000612634147 531554765 /nfs/dbraw/zinc/55/47/65/531554765.db2.gz QACPPKGSAFMZLK-AWEZNQCLSA-N 1 0 375.535 1.168 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000268777295 531568652 /nfs/dbraw/zinc/56/86/52/531568652.db2.gz HJCWTIPDKXVOIU-MRXNPFEDSA-N 1 0 385.917 1.408 20 0 GDADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000613808468 531572118 /nfs/dbraw/zinc/57/21/18/531572118.db2.gz RWQJMANZILCKPM-UHFFFAOYSA-N 1 0 393.289 1.981 20 0 GDADRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000364566246 531576366 /nfs/dbraw/zinc/57/63/66/531576366.db2.gz WVFOUZYNUWRXAI-NVXWUHKLSA-N 1 0 383.901 1.173 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000583485513 531578465 /nfs/dbraw/zinc/57/84/65/531578465.db2.gz DTMRXSFWSQPBPA-ILXRZTDVSA-N 1 0 386.539 1.489 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)CC(C)C ZINC000493740887 531578605 /nfs/dbraw/zinc/57/86/05/531578605.db2.gz OHISPIOYFKQVPB-DLBZAZTESA-N 1 0 375.579 1.921 20 0 GDADRO O=C(NCCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1cccc(Br)c1 ZINC000364584835 531579670 /nfs/dbraw/zinc/57/96/70/531579670.db2.gz IPJQPYOXQUVJNE-WMLDXEAASA-N 1 0 380.286 1.685 20 0 GDADRO Cc1ncsc1CCS(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000451275823 531580905 /nfs/dbraw/zinc/58/09/05/531580905.db2.gz SIGBHNMNMFDHIZ-UHFFFAOYSA-N 1 0 387.571 1.901 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000558782064 531581285 /nfs/dbraw/zinc/58/12/85/531581285.db2.gz FSBPAFNALJYQRP-ZENOOKHLSA-N 1 0 375.922 1.886 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000281122715 531582306 /nfs/dbraw/zinc/58/23/06/531582306.db2.gz SJTJBDMGMDMLDC-CYBMUJFWSA-N 1 0 387.933 1.754 20 0 GDADRO C[N@H+](CCCNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1CCCCC1 ZINC000416370598 531583163 /nfs/dbraw/zinc/58/31/63/531583163.db2.gz LZIBJMGBHTYMGO-UHFFFAOYSA-N 1 0 382.592 1.774 20 0 GDADRO C[C@H]([NH2+]CCSCCCO)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000268899656 531584606 /nfs/dbraw/zinc/58/46/06/531584606.db2.gz QTFGACOMUPFYEX-HNNXBMFYSA-N 1 0 388.555 1.474 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(Cl)nc1Cl ZINC000281139060 531584693 /nfs/dbraw/zinc/58/46/93/531584693.db2.gz VAAUNGFOSVALDA-UHFFFAOYSA-N 1 0 389.283 1.251 20 0 GDADRO CSc1ccccc1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000493977170 531585530 /nfs/dbraw/zinc/58/55/30/531585530.db2.gz MROGQLHJCMNJPZ-UHFFFAOYSA-N 1 0 385.555 1.487 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000636956922 531589819 /nfs/dbraw/zinc/58/98/19/531589819.db2.gz YJAZWNVJVHUILN-UHFFFAOYSA-N 1 0 388.559 1.542 20 0 GDADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000416389972 531594036 /nfs/dbraw/zinc/59/40/36/531594036.db2.gz ORGSLKJKBSCIEV-GFCCVEGCSA-N 1 0 389.905 1.041 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000583740835 531592369 /nfs/dbraw/zinc/59/23/69/531592369.db2.gz XCOBSXPUFACLFT-NSHDSACASA-N 1 0 384.274 1.902 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)NC[C@H]1CCCC[NH2+]1 ZINC000637015182 531594351 /nfs/dbraw/zinc/59/43/51/531594351.db2.gz MDGVGUYFMHFVFU-OLZOCXBDSA-N 1 0 386.290 1.630 20 0 GDADRO C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCC2(F)F)CCN1C1CC[NH+](C)CC1 ZINC000451356508 531596068 /nfs/dbraw/zinc/59/60/68/531596068.db2.gz AZWPDCWRAKJJPS-GJZGRUSLSA-N 1 0 379.517 1.852 20 0 GDADRO CN(C(=O)NCCN1CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000637039148 531595582 /nfs/dbraw/zinc/59/55/82/531595582.db2.gz GBIDSNBSYMQKIJ-JKSUJKDBSA-N 1 0 387.311 1.498 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1(c2cncc(Br)c2)CC1 ZINC000614506716 531596941 /nfs/dbraw/zinc/59/69/41/531596941.db2.gz ZFNZUAUYEJJEHW-HNNXBMFYSA-N 1 0 379.302 1.382 20 0 GDADRO COc1cc(Br)ccc1CCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614501407 531598520 /nfs/dbraw/zinc/59/85/20/531598520.db2.gz DRJZDEZNSWYGNP-INIZCTEOSA-N 1 0 396.329 1.896 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)NCc2c(Br)cnn2C)CCCO1 ZINC000637087746 531600913 /nfs/dbraw/zinc/60/09/13/531600913.db2.gz QXOOLCVBAPJZLD-LBPRGKRZSA-N 1 0 388.310 1.483 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cccc(I)c1 ZINC000295598869 531601800 /nfs/dbraw/zinc/60/18/00/531601800.db2.gz WYMYTWFINFJGRO-AWEZNQCLSA-N 1 0 388.249 1.868 20 0 GDADRO COc1cc(C)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Cl ZINC000660090025 531602954 /nfs/dbraw/zinc/60/29/54/531602954.db2.gz GHALKVWJCUUHCX-CQSZACIVSA-N 1 0 388.917 1.877 20 0 GDADRO CSCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000269034827 531601997 /nfs/dbraw/zinc/60/19/97/531601997.db2.gz AANQESLMBLPHJH-CQSZACIVSA-N 1 0 391.946 1.253 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000583995365 531604738 /nfs/dbraw/zinc/60/47/38/531604738.db2.gz GEJUHRWROIIIGF-LLVKDONJSA-N 1 0 382.313 1.761 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000637096341 531603926 /nfs/dbraw/zinc/60/39/26/531603926.db2.gz INQDNXMMZSTLPZ-GOEBONIOSA-N 1 0 397.317 1.394 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000559832386 531611819 /nfs/dbraw/zinc/61/18/19/531611819.db2.gz SQUUHHUKWPJKAB-UHFFFAOYSA-N 1 0 386.949 1.504 20 0 GDADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000615085518 531611894 /nfs/dbraw/zinc/61/18/94/531611894.db2.gz DQULEGHICFCTRO-GFCCVEGCSA-N 1 0 398.301 1.804 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NC2(C[NH3+])CCCC2)sc1Br ZINC000269145268 531615112 /nfs/dbraw/zinc/61/51/12/531615112.db2.gz CLBBJYVWFFWMHC-UHFFFAOYSA-N 1 0 382.305 1.159 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000584291467 531612687 /nfs/dbraw/zinc/61/26/87/531612687.db2.gz RLJNIIMNFAZBFZ-RQJHMYQMSA-N 1 0 377.264 1.435 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)C1 ZINC000269140248 531614325 /nfs/dbraw/zinc/61/43/25/531614325.db2.gz VIMOMKIQQQZPEJ-LLVKDONJSA-N 1 0 390.303 1.133 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560026460 531618110 /nfs/dbraw/zinc/61/81/10/531618110.db2.gz VIBCUWGXBCWJAY-CABCVRRESA-N 1 0 397.317 1.489 20 0 GDADRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000615232916 531616349 /nfs/dbraw/zinc/61/63/49/531616349.db2.gz GCVLRGPWOHWMPR-UHFFFAOYSA-N 1 0 389.543 1.124 20 0 GDADRO O=C(c1cccn2c(I)cnc12)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269185597 531621472 /nfs/dbraw/zinc/62/14/72/531621472.db2.gz BATKQNOZAOZKJX-MNOVXSKESA-N 1 0 396.232 1.905 20 0 GDADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000269211885 531625183 /nfs/dbraw/zinc/62/51/83/531625183.db2.gz CQUAZWPGYBTMAU-HUUCEWRRSA-N 1 0 396.285 1.349 20 0 GDADRO O=C(c1n[nH]c2ccc(I)cc21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494891908 531623875 /nfs/dbraw/zinc/62/38/75/531623875.db2.gz RFYYJCAAQFNIPP-CABZTGNLSA-N 1 0 396.232 1.992 20 0 GDADRO COC(=O)c1cccc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)c1Br ZINC000495017807 531625964 /nfs/dbraw/zinc/62/59/64/531625964.db2.gz NKKREYPZMIJVJK-OAHLLOKOSA-N 1 0 386.246 1.424 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000495122689 531626937 /nfs/dbraw/zinc/62/69/37/531626937.db2.gz PJZKDVXVIXNHGL-NSHDSACASA-N 1 0 381.420 1.617 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000637719020 531630707 /nfs/dbraw/zinc/63/07/07/531630707.db2.gz BRFZBPQGNLZDIO-SNVBAGLBSA-N 1 0 378.424 1.531 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1ccnc(F)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000281534541 531629110 /nfs/dbraw/zinc/62/91/10/531629110.db2.gz JZQINIFXHIKIHB-LBPRGKRZSA-N 1 0 375.441 1.331 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000281539157 531629801 /nfs/dbraw/zinc/62/98/01/531629801.db2.gz BCGIKIMZPWHVPC-HUUCEWRRSA-N 1 0 389.539 1.659 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)CC(C)C ZINC000660817533 531632893 /nfs/dbraw/zinc/63/28/93/531632893.db2.gz COMKWRDJLTZTLT-CVEARBPZSA-N 1 0 376.567 1.418 20 0 GDADRO COCCOC[C@@H](O)CN(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000295875508 531633494 /nfs/dbraw/zinc/63/34/94/531633494.db2.gz CYZIYIAOGKXRPM-INIZCTEOSA-N 1 0 399.289 1.486 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000497944728 531633551 /nfs/dbraw/zinc/63/35/51/531633551.db2.gz SCTHIDZJLRWNQK-KBPBESRZSA-N 1 0 378.853 1.141 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637806527 531634687 /nfs/dbraw/zinc/63/46/87/531634687.db2.gz XSYWYGQUTDBZJT-GJZGRUSLSA-N 1 0 380.286 1.808 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000269276844 531632581 /nfs/dbraw/zinc/63/25/81/531632581.db2.gz OXSLQJZLUCRRKT-MRXNPFEDSA-N 1 0 381.523 1.940 20 0 GDADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C1 ZINC000661308790 531647930 /nfs/dbraw/zinc/64/79/30/531647930.db2.gz OGZBUMYXIWQARY-AVGNSLFASA-N 1 0 385.452 1.335 20 0 GDADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccc(Br)cn2)C1 ZINC000661220522 531645193 /nfs/dbraw/zinc/64/51/93/531645193.db2.gz QXZRIFRXJIYDRC-MRVWCRGKSA-N 1 0 386.290 1.938 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000638134294 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382.302 1.839 20 0 GDADRO C[NH+](C)CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000510342222 531787324 /nfs/dbraw/zinc/78/73/24/531787324.db2.gz MTAZYTADDLQIQO-UHFFFAOYSA-N 1 0 383.301 1.133 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000668118350 531788315 /nfs/dbraw/zinc/78/83/15/531788315.db2.gz ASZLMTFWHUMWPH-CQSZACIVSA-N 1 0 385.917 1.771 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623018080 531789808 /nfs/dbraw/zinc/78/98/08/531789808.db2.gz VJNZIOVIUDLDHE-GFCCVEGCSA-N 1 0 393.289 1.887 20 0 GDADRO CC1(C)C[NH2+]CCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000592473398 531790215 /nfs/dbraw/zinc/79/02/15/531790215.db2.gz FPBUYGYJNYUXOH-UHFFFAOYSA-N 1 0 384.221 1.992 20 0 GDADRO Brc1cc(N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cnc1N1CCOCC1 ZINC000562957011 531790213 /nfs/dbraw/zinc/79/02/13/531790213.db2.gz JELNDSHLBCWZRE-HOTGVXAUSA-N 1 0 397.317 1.860 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000592488894 531790692 /nfs/dbraw/zinc/79/06/92/531790692.db2.gz NHIAEFOVBLUKPV-OAHLLOKOSA-N 1 0 388.295 1.789 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)NCCCCS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000297443124 531791350 /nfs/dbraw/zinc/79/13/50/531791350.db2.gz PIHADHCIYKUCAC-CQSZACIVSA-N 1 0 376.910 1.311 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000417938468 531793160 /nfs/dbraw/zinc/79/31/60/531793160.db2.gz WTBRYCFGRGUQAA-GHMZBOCLSA-N 1 0 394.950 1.497 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000297460685 531793680 /nfs/dbraw/zinc/79/36/80/531793680.db2.gz ATBIZKOCUREKOV-QGZVFWFLSA-N 1 0 398.301 1.945 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)s1 ZINC000366945187 531794346 /nfs/dbraw/zinc/79/43/46/531794346.db2.gz KBINXTYITVUVBF-AWEZNQCLSA-N 1 0 387.571 1.873 20 0 GDADRO C[C@](CO)([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(Br)cc1 ZINC000511588266 531794644 /nfs/dbraw/zinc/79/46/44/531794644.db2.gz ZSUXZRUZKVFPPL-CQSZACIVSA-N 1 0 392.315 1.186 20 0 GDADRO C[C@@](CO)([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(Br)cc1 ZINC000511588264 531794722 /nfs/dbraw/zinc/79/47/22/531794722.db2.gz ZSUXZRUZKVFPPL-AWEZNQCLSA-N 1 0 392.315 1.186 20 0 GDADRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000562986755 531795314 /nfs/dbraw/zinc/79/53/14/531795314.db2.gz RMCMFYSFYNQFHD-CQSZACIVSA-N 1 0 382.507 1.585 20 0 GDADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000623066275 531798856 /nfs/dbraw/zinc/79/88/56/531798856.db2.gz CUQWGASKKIWDOC-NWDGAFQWSA-N 1 0 378.274 1.954 20 0 GDADRO CCN(C(=O)C(=O)NCCc1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000668460231 531799372 /nfs/dbraw/zinc/79/93/72/531799372.db2.gz UTEKDAILBMBIRI-OAHLLOKOSA-N 1 0 382.302 1.660 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000516463032 531818201 /nfs/dbraw/zinc/81/82/01/531818201.db2.gz DCWGNBKUDHMPNL-LBPRGKRZSA-N 1 0 382.251 1.986 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1nn(C)cc1I ZINC000418245190 531818344 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GDADRO C[C@H](C[NH3+])CNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000563109034 531807748 /nfs/dbraw/zinc/80/77/48/531807748.db2.gz SCJDCERIFSEBFZ-LLVKDONJSA-N 1 0 377.304 1.714 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(OC)c(Br)c2)C1 ZINC000668770500 531807839 /nfs/dbraw/zinc/80/78/39/531807839.db2.gz GQEPLQZDUGFUBX-ZDUSSCGKSA-N 1 0 398.301 1.674 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000563119625 531808016 /nfs/dbraw/zinc/80/80/16/531808016.db2.gz YOQIJVDSTBMHBF-VIFPVBQESA-N 1 0 381.832 1.094 20 0 GDADRO [NH3+]CC[C@H](NC(=O)c1[nH]nc2ccc(I)cc21)C(F)F ZINC000563117229 531809142 /nfs/dbraw/zinc/80/91/42/531809142.db2.gz WWNWGJLIWWOACO-VIFPVBQESA-N 1 0 394.163 1.880 20 0 GDADRO CCC[NH2+]CCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418166779 531810218 /nfs/dbraw/zinc/81/02/18/531810218.db2.gz ZWXWXBBBJVADFR-UHFFFAOYSA-N 1 0 380.873 1.056 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418177116 531812585 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HQKKFHCBJICCEQ-NSHDSACASA-N 1 0 388.331 1.901 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418796108 531840936 /nfs/dbraw/zinc/84/09/36/531840936.db2.gz SVQYWUUFIYHRLX-RISCZKNCSA-N 1 0 390.253 1.299 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000418784669 531841042 /nfs/dbraw/zinc/84/10/42/531841042.db2.gz PZEYDPBBAPSXMK-UHFFFAOYSA-N 1 0 384.274 1.271 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000418784668 531841207 /nfs/dbraw/zinc/84/12/07/531841207.db2.gz PZEWILHOYRNAEM-YGRLFVJLSA-N 1 0 384.274 1.270 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)s1 ZINC000624388418 531841320 /nfs/dbraw/zinc/84/13/20/531841320.db2.gz XDLJUWUDEWECRF-UHFFFAOYSA-N 1 0 379.507 1.984 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000624389581 531841581 /nfs/dbraw/zinc/84/15/81/531841581.db2.gz DVDPYHLRCDEFTI-CMPLNLGQSA-N 1 0 399.460 1.532 20 0 GDADRO C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C[NH2+]1 ZINC000624405376 531842694 /nfs/dbraw/zinc/84/26/94/531842694.db2.gz IXVZWRKBRKTBFV-OLZOCXBDSA-N 1 0 387.571 1.872 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418807698 531842930 /nfs/dbraw/zinc/84/29/30/531842930.db2.gz JWDBOMSBUFFEAO-ITDIGPHOSA-N 1 0 398.276 1.676 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cc(Br)ccc1Br ZINC000418808534 531843056 /nfs/dbraw/zinc/84/30/56/531843056.db2.gz RAELLZIGWXKITA-ZETCQYMHSA-N 1 0 393.079 1.291 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000624409101 531844228 /nfs/dbraw/zinc/84/42/28/531844228.db2.gz RCTSTAKBEORHNO-UHFFFAOYSA-N 1 0 385.255 1.193 20 0 GDADRO C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C[NH2+]1 ZINC000624406551 531844452 /nfs/dbraw/zinc/84/44/52/531844452.db2.gz GBIPUFZGZYYGDT-PWSUYJOCSA-N 1 0 379.404 1.398 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000418810316 531844531 /nfs/dbraw/zinc/84/45/31/531844531.db2.gz HGXPRYNOUVKGSV-JQWIXIFHSA-N 1 0 386.265 1.648 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000418812423 531845258 /nfs/dbraw/zinc/84/52/58/531845258.db2.gz RJHJPEYBHUMOKF-ZRUFSTJUSA-N 1 0 386.315 1.678 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1F ZINC000624406344 531845372 /nfs/dbraw/zinc/84/53/72/531845372.db2.gz ZZEULQPCTXLQAZ-QWRGUYRKSA-N 1 0 379.479 1.006 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3[nH]c4ccccc4c3Br)CCN2C1=O ZINC000563442775 531845671 /nfs/dbraw/zinc/84/56/71/531845671.db2.gz UAPUJZSCOKAFSH-MWLCHTKSSA-N 1 0 377.242 1.314 20 0 GDADRO CCCN(C(=O)C(=O)NCc1ccc(F)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000418821846 531846702 /nfs/dbraw/zinc/84/67/02/531846702.db2.gz QRGITURKOMLCMH-CYBMUJFWSA-N 1 0 386.265 1.805 20 0 GDADRO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C(=O)NC1CC[NH2+]CC1 ZINC000418819440 531846837 /nfs/dbraw/zinc/84/68/37/531846837.db2.gz DFPPIRTXXXFCRB-AULYBMBSSA-N 1 0 398.276 1.819 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000418932165 531865816 /nfs/dbraw/zinc/86/58/16/531865816.db2.gz FZHBFAKGQLENRH-CMPLNLGQSA-N 1 0 386.315 1.524 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(Cc2cn(-c3ccccc3Br)nn2)[C@@H](C)C1 ZINC000563847182 531865821 /nfs/dbraw/zinc/86/58/21/531865821.db2.gz MJTPXPGGGQEAOP-KBPBESRZSA-N 1 0 394.317 1.917 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1C(F)(F)F ZINC000595119928 531866272 /nfs/dbraw/zinc/86/62/72/531866272.db2.gz AWROIPLKFBJDGM-UHFFFAOYSA-N 1 0 378.372 1.522 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418935893 531866633 /nfs/dbraw/zinc/86/66/33/531866633.db2.gz DOGFXEVZHSGYCR-LKTVYLICSA-N 1 0 380.286 1.809 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000418936207 531868103 /nfs/dbraw/zinc/86/81/03/531868103.db2.gz MAIAFTONHPUZEL-LLVKDONJSA-N 1 0 388.331 1.772 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)c1Br ZINC000595153600 531868643 /nfs/dbraw/zinc/86/86/43/531868643.db2.gz XRBPLHGYPDGXIB-UHFFFAOYSA-N 1 0 398.257 1.194 20 0 GDADRO O=C1[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000564873307 531869011 /nfs/dbraw/zinc/86/90/11/531869011.db2.gz MLHDBCYRXUNMKM-CQSZACIVSA-N 1 0 390.864 1.114 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)NCCCCSc1ccccc1Br ZINC000418856662 531855814 /nfs/dbraw/zinc/85/58/14/531855814.db2.gz QCVLZJOCFOMBRX-UHFFFAOYSA-N 1 0 388.331 1.855 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000418858447 531856037 /nfs/dbraw/zinc/85/60/37/531856037.db2.gz WADZVZBUEBXHPO-NUEKZKHPSA-N 1 0 394.313 1.960 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367716247 531857041 /nfs/dbraw/zinc/85/70/41/531857041.db2.gz AOYJFCIHOYSFLO-CABCVRRESA-N 1 0 385.555 1.749 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000418867166 531858962 /nfs/dbraw/zinc/85/89/62/531858962.db2.gz NYHFZMOUGYRGRV-NEPJUHHUSA-N 1 0 383.290 1.479 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000454705663 531859399 /nfs/dbraw/zinc/85/93/99/531859399.db2.gz CBSBGRZEWKBFFU-KGLIPLIRSA-N 1 0 385.306 1.783 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC1 ZINC000563690461 531861418 /nfs/dbraw/zinc/86/14/18/531861418.db2.gz AEVLUOVWMXTLLV-JKSUJKDBSA-N 1 0 375.437 1.794 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCc1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000283426178 531862425 /nfs/dbraw/zinc/86/24/25/531862425.db2.gz ATPUDYAWLHOYFB-CYBMUJFWSA-N 1 0 394.313 1.874 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000283438818 531862719 /nfs/dbraw/zinc/86/27/19/531862719.db2.gz BOWPUEBUGAXDBV-BLLLJJGKSA-N 1 0 394.313 1.707 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418917712 531863047 /nfs/dbraw/zinc/86/30/47/531863047.db2.gz BPBUITCQOLIMIW-GWCFXTLKSA-N 1 0 386.265 1.491 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000455158011 531863841 /nfs/dbraw/zinc/86/38/41/531863841.db2.gz NIJYSHJPOFFKPV-UONOGXRCSA-N 1 0 383.290 1.537 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418926642 531864272 /nfs/dbraw/zinc/86/42/72/531864272.db2.gz VMPVTXTVMCKBBB-KGLIPLIRSA-N 1 0 398.276 1.600 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418949343 531871129 /nfs/dbraw/zinc/87/11/29/531871129.db2.gz OCDJSWSRNQYXJU-ZDUSSCGKSA-N 1 0 398.301 1.402 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000283517720 531871309 /nfs/dbraw/zinc/87/13/09/531871309.db2.gz FBUSFABRIZSZGE-OAHLLOKOSA-N 1 0 388.306 1.750 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1C(=O)OC ZINC000595243133 531871863 /nfs/dbraw/zinc/87/18/63/531871863.db2.gz BPOUSZUIVWCXML-SSDOTTSWSA-N 1 0 390.209 1.037 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418952730 531872558 /nfs/dbraw/zinc/87/25/58/531872558.db2.gz RBWRYFFUZUKZBI-UHFFFAOYSA-N 1 0 386.290 1.578 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000418967530 531873577 /nfs/dbraw/zinc/87/35/77/531873577.db2.gz PNFXCAXFGAMNOK-SSDOTTSWSA-N 1 0 395.628 1.024 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418973179 531873728 /nfs/dbraw/zinc/87/37/28/531873728.db2.gz ONSYFJKAUPIFOS-UHFFFAOYSA-N 1 0 396.289 1.385 20 0 GDADRO C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCSC1 ZINC000270466149 531873964 /nfs/dbraw/zinc/87/39/64/531873964.db2.gz MPNIKLKHZZVYLU-HNNXBMFYSA-N 1 0 386.539 1.524 20 0 GDADRO CS[C@@H]1CN(C(=O)CCC(=O)N2CCc3sccc3C2)C[C@H]1[NH+](C)C ZINC000270465135 531875028 /nfs/dbraw/zinc/87/50/28/531875028.db2.gz LAWXBCUIEUOUQE-GDBMZVCRSA-N 1 0 381.567 1.917 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000298313471 531875701 /nfs/dbraw/zinc/87/57/01/531875701.db2.gz LHFPRRNCAMRRLC-CYBMUJFWSA-N 1 0 389.905 1.089 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000418982019 531875931 /nfs/dbraw/zinc/87/59/31/531875931.db2.gz APWWBJIMJHEFRM-OCCSQVGLSA-N 1 0 382.302 1.694 20 0 GDADRO COc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)nc1I ZINC000270473909 531876165 /nfs/dbraw/zinc/87/61/65/531876165.db2.gz HWTDWFIYIPOCQW-JTQLQIEISA-N 1 0 389.237 1.719 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000566058762 531876148 /nfs/dbraw/zinc/87/61/48/531876148.db2.gz OFGYNXHIQRWXFS-LLVKDONJSA-N 1 0 393.285 1.744 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)CC1 ZINC000418999721 531876801 /nfs/dbraw/zinc/87/68/01/531876801.db2.gz XEHRLEMWBPFOHC-UHFFFAOYSA-N 1 0 382.302 1.566 20 0 GDADRO Cc1cc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)ccc1Br ZINC000418992920 531877411 /nfs/dbraw/zinc/87/74/11/531877411.db2.gz ONJLJLVVXABRMO-SMDDNHRTSA-N 1 0 398.301 1.603 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)Nc2nnc3ccc(Br)cn32)CC[N@@H+]1C ZINC000455755056 531878401 /nfs/dbraw/zinc/87/84/01/531878401.db2.gz LKMPFNIUWKLLNE-LBPRGKRZSA-N 1 0 381.278 2.296 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1Br ZINC000419009484 531878461 /nfs/dbraw/zinc/87/84/61/531878461.db2.gz NMSQNYMIRKDAHH-DGCLKSJQSA-N 1 0 398.301 1.893 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1Br ZINC000419008469 531878941 /nfs/dbraw/zinc/87/89/41/531878941.db2.gz LKLBBZMDNNZBEH-MISXGVKJSA-N 1 0 398.301 1.892 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1Br ZINC000419004558 531879206 /nfs/dbraw/zinc/87/92/06/531879206.db2.gz FMHXPWLERFXXPV-PWSUYJOCSA-N 1 0 384.274 1.503 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1Br ZINC000419003228 531879242 /nfs/dbraw/zinc/87/92/42/531879242.db2.gz CKKKZBDZOXQHGL-GTNSWQLSSA-N 1 0 398.301 1.832 20 0 GDADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000566101326 531879754 /nfs/dbraw/zinc/87/97/54/531879754.db2.gz IIFNKROJIDTZNW-GOEBONIOSA-N 1 0 396.285 1.217 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NC2CC[NH2+]CC2)cc1Br ZINC000419012955 531880171 /nfs/dbraw/zinc/88/01/71/531880171.db2.gz YCMKNMUDZFZNTL-SNVBAGLBSA-N 1 0 384.274 1.503 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000566108222 531880929 /nfs/dbraw/zinc/88/09/29/531880929.db2.gz UCYTYYVYKAEJBS-AWEZNQCLSA-N 1 0 380.432 1.622 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419023232 531881535 /nfs/dbraw/zinc/88/15/35/531881535.db2.gz OIGAEONCYXBZHT-QWHCGFSZSA-N 1 0 384.274 1.488 20 0 GDADRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673626809 531881931 /nfs/dbraw/zinc/88/19/31/531881931.db2.gz BJMLYBBTMMLILQ-AWEZNQCLSA-N 1 0 389.543 1.013 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000566242819 531882196 /nfs/dbraw/zinc/88/21/96/531882196.db2.gz LESOOTKUXPDKHG-BETUJISGSA-N 1 0 385.917 1.613 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000566237897 531882790 /nfs/dbraw/zinc/88/27/90/531882790.db2.gz WBIKOCJSIRSKDS-GHMZBOCLSA-N 1 0 399.289 1.054 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000566250833 531882913 /nfs/dbraw/zinc/88/29/13/531882913.db2.gz MUPXUURXZNXGJP-JTQLQIEISA-N 1 0 382.313 1.905 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000368005683 531883348 /nfs/dbraw/zinc/88/33/48/531883348.db2.gz KDSMMILWIPQKCL-YPMHNXCESA-N 1 0 384.274 1.425 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C[C@@H]1[NH+](C)C ZINC000270512744 531883759 /nfs/dbraw/zinc/88/37/59/531883759.db2.gz RIOSHMAPVRXESW-HOTGVXAUSA-N 1 0 383.539 1.245 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000418942920 531869549 /nfs/dbraw/zinc/86/95/49/531869549.db2.gz YMSABLGDGWPENQ-NSHDSACASA-N 1 0 388.331 1.772 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418945318 531869639 /nfs/dbraw/zinc/86/96/39/531869639.db2.gz JTPLLQSUOQOGCH-PBWFPOADSA-N 1 0 396.285 1.343 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000418949157 531870362 /nfs/dbraw/zinc/87/03/62/531870362.db2.gz RHCWUSWETPYHTQ-RISCZKNCSA-N 1 0 386.265 1.838 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000643392133 531870309 /nfs/dbraw/zinc/87/03/09/531870309.db2.gz XYKHXMPBSVVAQV-ZDUSSCGKSA-N 1 0 396.329 1.954 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419049914 531891146 /nfs/dbraw/zinc/89/11/46/531891146.db2.gz BUTFRXCWHDOTFH-TVQRCGJNSA-N 1 0 388.693 1.833 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419051253 531892802 /nfs/dbraw/zinc/89/28/02/531892802.db2.gz FOGMVISBRUDAHD-YRGRVCCFSA-N 1 0 382.302 1.740 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000647019774 531892916 /nfs/dbraw/zinc/89/29/16/531892916.db2.gz DQFKQPXWALSYPX-GFCCVEGCSA-N 1 0 383.495 1.415 20 0 GDADRO CC[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000647004403 531893065 /nfs/dbraw/zinc/89/30/65/531893065.db2.gz KQLIOADNIGGCKX-IAQYHMDHSA-N 1 0 375.441 1.219 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000595932315 531893195 /nfs/dbraw/zinc/89/31/95/531893195.db2.gz NLTFPHPEMNTLIN-UWVGGRQHSA-N 1 0 380.251 1.375 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)Oc1ccccc1Br ZINC000566728409 531893553 /nfs/dbraw/zinc/89/35/53/531893553.db2.gz TYCBPISEQVWIDZ-CHWSQXEVSA-N 1 0 398.301 1.530 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419053954 531893823 /nfs/dbraw/zinc/89/38/23/531893823.db2.gz KYFUIXIYHGHGAS-ZIAGYGMSSA-N 1 0 382.302 1.755 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419056175 531893940 /nfs/dbraw/zinc/89/39/40/531893940.db2.gz QFRXMRWWJUFBBA-KBPBESRZSA-N 1 0 382.302 1.836 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000419082216 531899663 /nfs/dbraw/zinc/89/96/63/531899663.db2.gz TYWOSEJYTKRVLZ-CHWSQXEVSA-N 1 0 394.313 1.793 20 0 GDADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(Br)cn2C)CC1 ZINC000298509793 531895292 /nfs/dbraw/zinc/89/52/92/531895292.db2.gz SUHKPJYFWUZSOS-UHFFFAOYSA-N 1 0 386.290 1.793 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000419056322 531895490 /nfs/dbraw/zinc/89/54/90/531895490.db2.gz QOZHXWMVFZTVNS-LLVKDONJSA-N 1 0 388.281 1.751 20 0 GDADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707900 531895652 /nfs/dbraw/zinc/89/56/52/531895652.db2.gz GACLQZREADISHP-KBPBESRZSA-N 1 0 383.279 1.851 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCc2cc(C)ccc2Br)CC1 ZINC000419067015 531896154 /nfs/dbraw/zinc/89/61/54/531896154.db2.gz KMPSMKWDLNRVGR-UHFFFAOYSA-N 1 0 382.302 1.832 20 0 GDADRO CC(=O)N[C@H](CC(=O)N[C@@H](CO)C[NH+](C)C)c1ccc(Br)cc1 ZINC000647710006 531896303 /nfs/dbraw/zinc/89/63/03/531896303.db2.gz HEGHFLJCYULYED-HUUCEWRRSA-N 1 0 386.290 1.055 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCc3[nH]cnc3C2)cnc1Br ZINC000368153263 531897127 /nfs/dbraw/zinc/89/71/27/531897127.db2.gz SMVKPYHYMWWJIY-VIFPVBQESA-N 1 0 378.230 1.488 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419077839 531898324 /nfs/dbraw/zinc/89/83/24/531898324.db2.gz KAKVOKYOYYACIF-QWHCGFSZSA-N 1 0 394.313 1.806 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000647732809 531898658 /nfs/dbraw/zinc/89/86/58/531898658.db2.gz ZIBXDPQNGUZUAH-VIFPVBQESA-N 1 0 399.822 1.444 20 0 GDADRO CC[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419039401 531885603 /nfs/dbraw/zinc/88/56/03/531885603.db2.gz HCRABXFUAWUCNE-LPEHRKFASA-N 1 0 378.420 1.843 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419037182 531885827 /nfs/dbraw/zinc/88/58/27/531885827.db2.gz HSJUPUWWPJUHBL-SWHYSGLUSA-N 1 0 396.285 1.503 20 0 GDADRO COC(=O)CC1([NH2+]Cc2csc(C(=O)OC)c2)CCS(=O)(=O)CC1 ZINC000595459318 531886316 /nfs/dbraw/zinc/88/63/16/531886316.db2.gz NBUKBPYFSAXXDT-UHFFFAOYSA-N 1 0 375.468 1.135 20 0 GDADRO O=C(N[C@H]1CCOc2c(Br)cccc21)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419036769 531886281 /nfs/dbraw/zinc/88/62/81/531886281.db2.gz HAJHLQOELGKZOT-RISCZKNCSA-N 1 0 396.285 1.647 20 0 GDADRO O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419042048 531887316 /nfs/dbraw/zinc/88/73/16/531887316.db2.gz OVXJNUXSTLEXKW-ZDUSSCGKSA-N 1 0 378.885 1.600 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)c2ccc(C)c(I)c2)nn1C ZINC000595962973 531899428 /nfs/dbraw/zinc/89/94/28/531899428.db2.gz WXCGIDVHXUDCOJ-UHFFFAOYSA-N 1 0 384.221 2.353 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000419042557 531888909 /nfs/dbraw/zinc/88/89/09/531888909.db2.gz LVBIVNLJXAFTFN-VHSXEESVSA-N 1 0 378.420 1.940 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(I)cn2)C[C@H]1[NH+](C)C ZINC000456002426 531889749 /nfs/dbraw/zinc/88/97/49/531889749.db2.gz NMZPAOZHOHHTFM-NEPJUHHUSA-N 1 0 391.278 1.804 20 0 GDADRO CCCN(C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)[C@@H]1CC[NH2+]C1 ZINC000419046601 531890144 /nfs/dbraw/zinc/89/01/44/531890144.db2.gz WAKKZLJPUVPYCQ-VHSXEESVSA-N 1 0 378.420 1.940 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)[C@H]1C[NH3+] ZINC000419044958 531890323 /nfs/dbraw/zinc/89/03/23/531890323.db2.gz UXGNINVLRVRLHN-YGRLFVJLSA-N 1 0 386.265 1.790 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000283875142 531905065 /nfs/dbraw/zinc/90/50/65/531905065.db2.gz AKASTCGJZKEYEO-GJZGRUSLSA-N 1 0 386.539 1.702 20 0 GDADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000596051442 531905437 /nfs/dbraw/zinc/90/54/37/531905437.db2.gz ORVUIFGFDRIRDL-LLVKDONJSA-N 1 0 388.795 1.945 20 0 GDADRO COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)C[NH+](C)C ZINC000270658794 531906489 /nfs/dbraw/zinc/90/64/89/531906489.db2.gz VGPPJDURSYFJPS-CYBMUJFWSA-N 1 0 382.258 1.692 20 0 GDADRO COC(=O)C1(c2ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc2)CC1 ZINC000596053182 531906689 /nfs/dbraw/zinc/90/66/89/531906689.db2.gz XHGLDFFCPWKYDM-LBPRGKRZSA-N 1 0 380.388 1.401 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cc(F)ccc3Br)C[C@H]21 ZINC000419163272 531907019 /nfs/dbraw/zinc/90/70/19/531907019.db2.gz VZYMUZPEMHAGAQ-WDBKCZKBSA-N 1 0 398.276 1.790 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368372890 531907459 /nfs/dbraw/zinc/90/74/59/531907459.db2.gz CSRURJICZBOJCO-AWEZNQCLSA-N 1 0 383.539 1.333 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1Br ZINC000419161832 531907401 /nfs/dbraw/zinc/90/74/01/531907401.db2.gz FIEYVRXUJRKWSJ-BXUZGUMPSA-N 1 0 382.302 1.817 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000647983716 531907503 /nfs/dbraw/zinc/90/75/03/531907503.db2.gz SXKBVXUGAMSULC-UHFFFAOYSA-N 1 0 386.294 1.820 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368375666 531907900 /nfs/dbraw/zinc/90/79/00/531907900.db2.gz JTMAGMXWWQEWJZ-ZDUSSCGKSA-N 1 0 392.253 1.303 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419164811 531908805 /nfs/dbraw/zinc/90/88/05/531908805.db2.gz ZKXALROIQMRQTR-UHFFFAOYSA-N 1 0 382.180 1.549 20 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GDADRO [NH3+]CCCCNC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419144520 531904029 /nfs/dbraw/zinc/90/40/29/531904029.db2.gz FOVPAIQSIRVWIS-UHFFFAOYSA-N 1 0 396.207 1.939 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000419147794 531904149 /nfs/dbraw/zinc/90/41/49/531904149.db2.gz IKYBUNWVADCAGQ-NSHDSACASA-N 1 0 394.273 1.105 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419252340 531917994 /nfs/dbraw/zinc/91/79/94/531917994.db2.gz BYTIZUBYSDBHTN-CYBMUJFWSA-N 1 0 386.290 1.434 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000419251735 531918206 /nfs/dbraw/zinc/91/82/06/531918206.db2.gz RKKUCELUSDJKAC-SKDRFNHKSA-N 1 0 384.299 1.519 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419252179 531918414 /nfs/dbraw/zinc/91/84/14/531918414.db2.gz BSVQTALEEZWXMM-CYBMUJFWSA-N 1 0 384.274 1.202 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000283992597 531918548 /nfs/dbraw/zinc/91/85/48/531918548.db2.gz PUMMURYYRGYORG-NSHDSACASA-N 1 0 388.331 1.927 20 0 GDADRO C[C@]1(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)CCC[NH2+]C1 ZINC000569095049 531918611 /nfs/dbraw/zinc/91/86/11/531918611.db2.gz FMJTXRGFGSHUSA-KRWDZBQOSA-N 1 0 393.285 1.665 20 0 GDADRO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000283992196 531918722 /nfs/dbraw/zinc/91/87/22/531918722.db2.gz NFCHMRPBDCMURS-CQSZACIVSA-N 1 0 380.539 1.503 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)s1 ZINC000368533398 531920205 /nfs/dbraw/zinc/92/02/05/531920205.db2.gz CIQFJZAGWHQVDK-CYBMUJFWSA-N 1 0 387.571 1.873 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419265210 531921499 /nfs/dbraw/zinc/92/14/99/531921499.db2.gz YVONYLCVGUWKTE-RISCZKNCSA-N 1 0 384.274 1.058 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccsc2C(=O)OC)CC1 ZINC000298799729 531922180 /nfs/dbraw/zinc/92/21/80/531922180.db2.gz FXFGTZCVODVSSC-CYBMUJFWSA-N 1 0 389.543 1.087 20 0 GDADRO 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1.455 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419775671 531968185 /nfs/dbraw/zinc/96/81/85/531968185.db2.gz JQMNURACAZDCAK-WOPDTQHZSA-N 1 0 398.301 1.831 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419808902 531971760 /nfs/dbraw/zinc/97/17/60/531971760.db2.gz GTFXDPSDVAQYRS-LBPRGKRZSA-N 1 0 384.318 1.815 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000419835815 531975750 /nfs/dbraw/zinc/97/57/50/531975750.db2.gz AVXVNKRONYHBHB-GFCCVEGCSA-N 1 0 384.274 1.284 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000419831021 531975809 /nfs/dbraw/zinc/97/58/09/531975809.db2.gz UQILCFZDVFPBJT-JMSVASOKSA-N 1 0 382.302 1.753 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000419840435 531976159 /nfs/dbraw/zinc/97/61/59/531976159.db2.gz IXDHMUCCOIXIQS-GXTWGEPZSA-N 1 0 381.274 1.376 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419836074 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392.258 1.886 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000419998005 531994201 /nfs/dbraw/zinc/99/42/01/531994201.db2.gz MHGIJLKNWNADQP-TZMCWYRMSA-N 1 0 383.290 1.607 20 0 GDADRO CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000419878855 531980355 /nfs/dbraw/zinc/98/03/55/531980355.db2.gz ZDOVEPSYCAADPD-YPMHNXCESA-N 1 0 398.326 1.923 20 0 GDADRO C[C@H](O)C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000573358614 531981034 /nfs/dbraw/zinc/98/10/34/531981034.db2.gz KPNNQEMGMMVBEF-WCQYABFASA-N 1 0 377.304 1.573 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000419885134 531981084 /nfs/dbraw/zinc/98/10/84/531981084.db2.gz GXYXMJVEYHEYBX-AWEZNQCLSA-N 1 0 386.265 1.977 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC000370103915 531981697 /nfs/dbraw/zinc/98/16/97/531981697.db2.gz SGUAWCDWAYRLTC-GXFFZTMASA-N 1 0 375.288 1.830 20 0 GDADRO O=C(c1cc(I)c[nH]1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598453111 531982264 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20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000419913152 531984738 /nfs/dbraw/zinc/98/47/38/531984738.db2.gz YHOOWASZWCIMAU-CQSZACIVSA-N 1 0 383.290 1.623 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000419912283 531984985 /nfs/dbraw/zinc/98/49/85/531984985.db2.gz WFEVMWVJODXPLI-OAHLLOKOSA-N 1 0 398.301 1.465 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560057 531985912 /nfs/dbraw/zinc/98/59/12/531985912.db2.gz KFYRKSXCQGZYMF-HZPDHXFCSA-N 1 0 391.603 1.286 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419928235 531986352 /nfs/dbraw/zinc/98/63/52/531986352.db2.gz XSKLNCCJKZDPLO-ZDUSSCGKSA-N 1 0 398.301 1.402 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)c2nccn3c(Br)cnc23)C[C@H](C)O1 ZINC000271239937 531987028 /nfs/dbraw/zinc/98/70/28/531987028.db2.gz YBIMYPMAGJTJGA-RYUDHWBXSA-N 1 0 396.289 1.721 20 0 GDADRO CS[C@@H]1CN(CCC(=O)Nc2sccc2C(N)=O)C[C@H]1[NH+]1CCCC1 ZINC000299401742 531987198 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COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420011472 531996417 /nfs/dbraw/zinc/99/64/17/531996417.db2.gz YWIWPBSFWHRWHO-BXUZGUMPSA-N 1 0 398.301 1.975 20 0 GDADRO NS(=O)(=O)c1cc(CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1Cl ZINC000631090057 531997192 /nfs/dbraw/zinc/99/71/92/531997192.db2.gz FDDVZABGRGNLLV-CVEARBPZSA-N 1 0 387.933 1.455 20 0 GDADRO NS(=O)(=O)c1c(OC(F)(F)F)cccc1N1CC[NH+](CC2CC2)CC1 ZINC000631064437 531997641 /nfs/dbraw/zinc/99/76/41/531997641.db2.gz LRFWIQCFUZVVKO-UHFFFAOYSA-N 1 0 379.404 1.765 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1)C1CC1 ZINC000420030522 531997666 /nfs/dbraw/zinc/99/76/66/531997666.db2.gz KGGCUZWQSHSWJL-GJZGRUSLSA-N 1 0 380.286 1.966 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000284818788 531995386 /nfs/dbraw/zinc/99/53/86/531995386.db2.gz QWGPLTMXQGCHON-UHFFFAOYSA-N 1 0 399.289 1.088 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1)C1CC1 ZINC000420036733 531999405 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[NH3+]C1(CNC(=O)C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCC1 ZINC000420086129 532001622 /nfs/dbraw/zinc/00/16/22/532001622.db2.gz CDVSKRVMTABYBM-UHFFFAOYSA-N 1 0 386.283 1.035 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1F ZINC000599099661 532005324 /nfs/dbraw/zinc/00/53/24/532005324.db2.gz IPNBZQQSQJRHAU-ZWNOBZJWSA-N 1 0 376.425 1.889 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000420138878 532006025 /nfs/dbraw/zinc/00/60/25/532006025.db2.gz HNCIGYDEIKYVHP-LBPRGKRZSA-N 1 0 382.302 1.879 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599099370 532005074 /nfs/dbraw/zinc/00/50/74/532005074.db2.gz BXLOGKFFYFUXSF-NDBYEHHHSA-N 1 0 386.436 1.507 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(S(C)(=O)=O)cs3)CC2)c1 ZINC000271353478 532005195 /nfs/dbraw/zinc/00/51/95/532005195.db2.gz YUPXHHVDHFBWLK-UHFFFAOYSA-N 1 0 381.479 1.518 20 0 GDADRO CO[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCOC1 ZINC000657539601 532008440 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394.313 1.912 20 0 GDADRO O[C@H]1CC[N@H+](CCNc2ncnc3cc(I)sc32)C1 ZINC000599199176 532011523 /nfs/dbraw/zinc/01/15/23/532011523.db2.gz GOQMGPQFVQMYTO-QMMMGPOBSA-N 1 0 390.250 1.774 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000575248686 532010487 /nfs/dbraw/zinc/01/04/87/532010487.db2.gz PILVXGMOXQVLEK-GFCCVEGCSA-N 1 0 376.881 1.587 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000632151196 532013358 /nfs/dbraw/zinc/01/33/58/532013358.db2.gz AMAGNIDVMMWXSC-HNNXBMFYSA-N 1 0 378.441 1.943 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1OC ZINC000420447139 532014851 /nfs/dbraw/zinc/01/48/51/532014851.db2.gz CHKBNKOWBYLHTJ-KOLCDFICSA-N 1 0 376.862 1.541 20 0 GDADRO CN1CCO[C@@H]([C@@H](NS(=O)(=O)CCC[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000632164779 532015416 /nfs/dbraw/zinc/01/54/16/532015416.db2.gz WGJIYOLQNGAJKM-SJORKVTESA-N 1 0 389.949 1.583 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)ccc1Br ZINC000575901169 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C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000332601507 532199527 /nfs/dbraw/zinc/19/95/27/532199527.db2.gz NJVGXNKKNBWDGG-CYBMUJFWSA-N 1 0 398.276 1.683 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000332608656 532199997 /nfs/dbraw/zinc/19/99/97/532199997.db2.gz OMPBBVLHZYUNHF-HNNXBMFYSA-N 1 0 388.327 1.836 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000428241783 532200840 /nfs/dbraw/zinc/20/08/40/532200840.db2.gz FBNAQHANVITHGX-UKRRQHHQSA-N 1 0 394.317 1.991 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000332469579 532188230 /nfs/dbraw/zinc/18/82/30/532188230.db2.gz JTTCSXFZIIWNOI-OLZOCXBDSA-N 1 0 380.286 1.720 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000332464516 532188393 /nfs/dbraw/zinc/18/83/93/532188393.db2.gz IQDVJEFCIPOCQI-BONVTDFDSA-N 1 0 398.276 1.587 20 0 GDADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000375924901 532189432 /nfs/dbraw/zinc/18/94/32/532189432.db2.gz NTBDIFPENSAFPA-CVEARBPZSA-N 1 0 379.302 1.801 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000274156706 532189711 /nfs/dbraw/zinc/18/97/11/532189711.db2.gz LWSFZNCLHDBEOA-UHFFFAOYSA-N 1 0 375.516 1.672 20 0 GDADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000376313337 532204969 /nfs/dbraw/zinc/20/49/69/532204969.db2.gz DVLLUTYPYXXZNF-GJZGRUSLSA-N 1 0 376.567 1.418 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000332700190 532206305 /nfs/dbraw/zinc/20/63/05/532206305.db2.gz WYYHEWGSPNIARW-OCCSQVGLSA-N 1 0 380.286 1.585 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000332709203 532207650 /nfs/dbraw/zinc/20/76/50/532207650.db2.gz UUFXKDUBGLRFHQ-CYBMUJFWSA-N 1 0 380.286 1.715 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000332790979 532210235 /nfs/dbraw/zinc/21/02/35/532210235.db2.gz LXHHZJONRHVAGP-ZFWWWQNUSA-N 1 0 383.539 1.563 20 0 GDADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H](C)C[NH3+] ZINC000274428429 532210514 /nfs/dbraw/zinc/21/05/14/532210514.db2.gz NGGFBBXDRLSAMG-RISCZKNCSA-N 1 0 385.306 1.880 20 0 GDADRO CNC(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)c1Br ZINC000287351802 532210651 /nfs/dbraw/zinc/21/06/51/532210651.db2.gz GXNYOANKWDRYLY-UHFFFAOYSA-N 1 0 399.289 1.204 20 0 GDADRO NS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000428647330 532213574 /nfs/dbraw/zinc/21/35/74/532213574.db2.gz AGSVLMYDUXEKON-JTQLQIEISA-N 1 0 394.266 1.280 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000428618682 532213734 /nfs/dbraw/zinc/21/37/34/532213734.db2.gz BJIYWXONOXVQBX-NSHDSACASA-N 1 0 394.269 1.633 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1nnnn1CC(F)(F)F ZINC000333068436 532218020 /nfs/dbraw/zinc/21/80/20/532218020.db2.gz OJRKUYIULQTXNV-GHMZBOCLSA-N 1 0 378.424 1.413 20 0 GDADRO O=C(Nc1ccc(Br)cc1C(F)(F)F)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000428196435 532201420 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Cc1cc(N2C[C@H](C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2=O)ccc1Br ZINC000333307135 532229076 /nfs/dbraw/zinc/22/90/76/532229076.db2.gz MUNPXEBWVNXHMW-IOASZLSFSA-N 1 0 392.297 1.931 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CCO1 ZINC000274736501 532229238 /nfs/dbraw/zinc/22/92/38/532229238.db2.gz DNSNALANGSHSPG-LSDHHAIUSA-N 1 0 396.285 1.240 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000333331650 532230001 /nfs/dbraw/zinc/23/00/01/532230001.db2.gz OKSDGTWQPIWKFR-DGCLKSJQSA-N 1 0 398.305 1.800 20 0 GDADRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000429541034 532230112 /nfs/dbraw/zinc/23/01/12/532230112.db2.gz YMBMJSUSYLTNRZ-LBPRGKRZSA-N 1 0 388.921 1.342 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000429567554 532231090 /nfs/dbraw/zinc/23/10/90/532231090.db2.gz NLNWIJGNCJUHJE-HNNXBMFYSA-N 1 0 377.576 1.038 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC[C@H]1[NH3+] ZINC000333390186 532231938 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Cc1cc(Br)ccc1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000274694087 532225375 /nfs/dbraw/zinc/22/53/75/532225375.db2.gz VZVJMPUADONFNB-UHFFFAOYSA-N 1 0 377.304 1.493 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c(F)cc1Br ZINC000287802495 532242425 /nfs/dbraw/zinc/24/24/25/532242425.db2.gz ABDUVZDJAKAACV-OAHLLOKOSA-N 1 0 390.253 1.264 20 0 GDADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000333638568 532243209 /nfs/dbraw/zinc/24/32/09/532243209.db2.gz BVEHUMAQPWZOFR-CQSZACIVSA-N 1 0 388.559 1.219 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000333651314 532243810 /nfs/dbraw/zinc/24/38/10/532243810.db2.gz VUYMCDHNUBIQLL-NILFDRSVSA-N 1 0 395.301 1.994 20 0 GDADRO CNC(=O)[C@]1(C)CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000430263065 532245345 /nfs/dbraw/zinc/24/53/45/532245345.db2.gz NIQSNROEXPRZPA-XJKSGUPXSA-N 1 0 389.265 1.786 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000333700990 532245783 /nfs/dbraw/zinc/24/57/83/532245783.db2.gz QUPKNWNXYMCINQ-LLVKDONJSA-N 1 0 377.798 1.947 20 0 GDADRO O=c1[nH]c2cc(Br)c(S(=O)(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2[nH]1 ZINC000333727153 532246482 /nfs/dbraw/zinc/24/64/82/532246482.db2.gz VOMMAMXOCOGXJA-HQJQHLMTSA-N 1 0 387.259 1.013 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000333731745 532247487 /nfs/dbraw/zinc/24/74/87/532247487.db2.gz WFLBPEAVGMEIAZ-JTQLQIEISA-N 1 0 378.424 1.388 20 0 GDADRO C[C@H](CNC(=O)C(=O)N(C)Cc1cc(Br)cn1C)[N@H+](C)C1CC1 ZINC000287884242 532248763 /nfs/dbraw/zinc/24/87/63/532248763.db2.gz NFDWDGSETDXRSV-LLVKDONJSA-N 1 0 385.306 1.345 20 0 GDADRO O=C(NCc1cccc(Br)c1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000333789637 532250156 /nfs/dbraw/zinc/25/01/56/532250156.db2.gz MIFQZQXZJCZEHJ-OAHLLOKOSA-N 1 0 395.301 1.555 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000287921039 532251009 /nfs/dbraw/zinc/25/10/09/532251009.db2.gz OYCQFSKJCBJMCI-KBPBESRZSA-N 1 0 382.555 1.750 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CCC[C@H]2C[NH3+])c1 ZINC000430561421 532251460 /nfs/dbraw/zinc/25/14/60/532251460.db2.gz LJTGGOIWKBPDTM-LBPRGKRZSA-N 1 0 388.921 1.342 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333848474 532252404 /nfs/dbraw/zinc/25/24/04/532252404.db2.gz PNLKPLLZOILSDU-SNVBAGLBSA-N 1 0 386.315 1.983 20 0 GDADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333466912 532237012 /nfs/dbraw/zinc/23/70/12/532237012.db2.gz ABVUBUYDPGYOQN-UGFHNGPFSA-N 1 0 393.285 1.558 20 0 GDADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000274850424 532238123 /nfs/dbraw/zinc/23/81/23/532238123.db2.gz YFGWSRTYRIBWJY-ZDUSSCGKSA-N 1 0 379.258 1.743 20 0 GDADRO O=C(COC1C[NH2+]C1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000429890750 532238260 /nfs/dbraw/zinc/23/82/60/532238260.db2.gz KKZUCLKIQVDSBG-UHFFFAOYSA-N 1 0 383.286 1.602 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(C)s1 ZINC000333504645 532239303 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GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cncc(Br)c1 ZINC000288077887 532261797 /nfs/dbraw/zinc/26/17/97/532261797.db2.gz GXSFASREWZMQAI-SMDDNHRTSA-N 1 0 381.274 1.868 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000377535980 532262507 /nfs/dbraw/zinc/26/25/07/532262507.db2.gz OMCNEOFTGLOEFP-QMMMGPOBSA-N 1 0 386.524 1.523 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377580331 532264988 /nfs/dbraw/zinc/26/49/88/532264988.db2.gz KNXVPEKCNFMWMB-OAHLLOKOSA-N 1 0 382.302 1.506 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000431536916 532267395 /nfs/dbraw/zinc/26/73/95/532267395.db2.gz MXJFPTBWXKJNGF-AWEZNQCLSA-N 1 0 375.560 1.736 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000275215816 532278235 /nfs/dbraw/zinc/27/82/35/532278235.db2.gz GVWOHPCJOZQWNM-UHFFFAOYSA-N 1 0 384.274 1.950 20 0 GDADRO O[C@@H](CN1CCC(O)(C[NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000378532390 532289763 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WSRUYUXIKANVTN-UHFFFAOYSA-N 1 0 397.483 1.591 20 0 GDADRO Cc1c(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)cccc1-c1nn[nH]n1 ZINC000822095533 607283320 /nfs/dbraw/zinc/28/33/20/607283320.db2.gz DMPQUBSOSLXSDI-UHFFFAOYSA-N 1 0 385.472 1.942 20 0 GDADRO CC[NH+]1CCC(N(C)C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000821254595 607300488 /nfs/dbraw/zinc/30/04/88/607300488.db2.gz NIHORLWHKOKIKC-UHFFFAOYSA-N 1 0 399.499 1.918 20 0 GDADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821583183 607300591 /nfs/dbraw/zinc/30/05/91/607300591.db2.gz LNBANLGXPGVKIL-HNNXBMFYSA-N 1 0 399.499 1.918 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820753174 607301604 /nfs/dbraw/zinc/30/16/04/607301604.db2.gz XEDPWTVBTNIAQX-YOEHRIQHSA-N 1 0 399.499 1.774 20 0 GDADRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000736010447 599267835 /nfs/dbraw/zinc/26/78/35/599267835.db2.gz QQRIERVIEXVWDN-ZDUSSCGKSA-N 1 0 399.890 1.933 20 0 GDADRO C[C@H](NC(=O)CCc1ccc(-c2nn[nH]n2)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000736105396 599280224 /nfs/dbraw/zinc/28/02/24/599280224.db2.gz NVDIXVJZMJOUDF-INIZCTEOSA-N 1 0 398.511 1.949 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)CC2)CC1 ZINC000820128636 607331760 /nfs/dbraw/zinc/33/17/60/607331760.db2.gz RVPIMEYYDYFYAB-UHFFFAOYSA-N 1 0 396.543 1.745 20 0 GDADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000820722095 607332425 /nfs/dbraw/zinc/33/24/25/607332425.db2.gz FVAURFWLAUNREU-UHFFFAOYSA-N 1 0 389.435 1.183 20 0 GDADRO O[C@H](COc1ccccc1)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738389424 598253797 /nfs/dbraw/zinc/25/37/97/598253797.db2.gz XAWMUKLDBFUJIW-INIZCTEOSA-N 1 0 380.452 1.429 20 0 GDADRO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738386545 598254029 /nfs/dbraw/zinc/25/40/29/598254029.db2.gz MDJGDNOYACZNEM-MRXNPFEDSA-N 1 0 398.442 1.568 20 0 GDADRO CCCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736412837 598257473 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c1c(C[N@@H+]2CCCN(c3cccnn3)CC2)c(-c2nn[nH]n2)c2ccccn12 ZINC000738448200 598357889 /nfs/dbraw/zinc/35/78/89/598357889.db2.gz MKZRRBAKTOAVRI-UHFFFAOYSA-N 1 0 375.440 1.622 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736760914 598397961 /nfs/dbraw/zinc/39/79/61/598397961.db2.gz RPFFDWKOCXDSJB-QGZVFWFLSA-N 1 0 393.451 1.016 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736982548 598413020 /nfs/dbraw/zinc/41/30/20/598413020.db2.gz ZBXWNFUSYVZOKV-AWEZNQCLSA-N 1 0 387.488 1.728 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000736769404 598424281 /nfs/dbraw/zinc/42/42/81/598424281.db2.gz RNFLQEMNBHLHAS-ZHACJKMWSA-N 1 0 377.452 1.865 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736265439 598434759 /nfs/dbraw/zinc/43/47/59/598434759.db2.gz APSPDRFAIGGVOI-ZDUSSCGKSA-N 1 0 395.471 1.239 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)Cc1ccccc1 ZINC000736534144 598459652 /nfs/dbraw/zinc/45/96/52/598459652.db2.gz MWCCRDJOPBNBPN-KRWDZBQOSA-N 1 0 379.468 1.945 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738044520 598462490 /nfs/dbraw/zinc/46/24/90/598462490.db2.gz KVLRJOACPVXNRP-CYBMUJFWSA-N 1 0 383.481 1.965 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C1 ZINC000737009312 598466359 /nfs/dbraw/zinc/46/63/59/598466359.db2.gz ZJVZCKCPEVHIPK-ZDUSSCGKSA-N 1 0 385.428 1.009 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736266440 598506275 /nfs/dbraw/zinc/50/62/75/598506275.db2.gz HRAHFVWXDHHVNA-CQSZACIVSA-N 1 0 378.502 1.551 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=S)NC1CCOCC1 ZINC000736767845 598514337 /nfs/dbraw/zinc/51/43/37/598514337.db2.gz SONHQLPMXYQDKA-UHFFFAOYSA-N 1 0 389.529 1.284 20 0 GDADRO C[C@H](OCCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736165372 598520004 /nfs/dbraw/zinc/52/00/04/598520004.db2.gz UMPFDVMLWQTVLN-GJZGRUSLSA-N 1 0 382.472 1.862 20 0 GDADRO c1nn(-c2ccccc2)cc1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738425850 598522281 /nfs/dbraw/zinc/52/22/81/598522281.db2.gz OJQIRHWSIVOWFA-OAHLLOKOSA-N 1 0 390.455 1.123 20 0 GDADRO FC(F)(F)CO[C@@H]1CCC[N@H+](C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000737628431 598523793 /nfs/dbraw/zinc/52/37/93/598523793.db2.gz VQVOCTUOHUXGEB-WDEREUQCSA-N 1 0 386.382 1.148 20 0 GDADRO COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737089536 598527975 /nfs/dbraw/zinc/52/79/75/598527975.db2.gz XMPJLPUDRPVWHC-HIFRSBDPSA-N 1 0 382.472 1.724 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1cc(-c3ccccc3)on1)C2 ZINC000738421320 598529958 /nfs/dbraw/zinc/52/99/58/598529958.db2.gz REEFSHPXPIHEEZ-LBPRGKRZSA-N 1 0 377.412 1.550 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC000737008504 598530500 /nfs/dbraw/zinc/53/05/00/598530500.db2.gz UVSGPKBVNDWBDQ-CQSZACIVSA-N 1 0 399.455 1.399 20 0 GDADRO COc1ccccc1CC(C)(C)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737154152 598530893 /nfs/dbraw/zinc/53/08/93/598530893.db2.gz YBBPEMPDXHINPT-CYBMUJFWSA-N 1 0 382.472 1.724 20 0 GDADRO Cc1cc(N2CCO[C@@H](C[NH+](C)C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737272959 598544999 /nfs/dbraw/zinc/54/49/99/598544999.db2.gz WSQZQWKFEKRICC-AWEZNQCLSA-N 1 0 392.467 1.743 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000736771749 598579555 /nfs/dbraw/zinc/57/95/55/598579555.db2.gz PXLYGSPEESEHRE-QGZVFWFLSA-N 1 0 395.471 1.232 20 0 GDADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738027182 598580087 /nfs/dbraw/zinc/58/00/87/598580087.db2.gz WYSHQQZHDOOATA-GOSISDBHSA-N 1 0 381.484 1.579 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2snc(Cl)c2-c2nn[nH]n2)CC1 ZINC000736746469 598580453 /nfs/dbraw/zinc/58/04/53/598580453.db2.gz IXICSQAUBZGWIK-UHFFFAOYSA-N 1 0 384.897 1.331 20 0 GDADRO CN(C(=O)Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736748555 598596524 /nfs/dbraw/zinc/59/65/24/598596524.db2.gz ISLRXMAFYPHRME-UHFFFAOYSA-N 1 0 395.471 1.692 20 0 GDADRO c1c(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c(-c2nn[nH]n2)c2ccccn12 ZINC000738445983 598622479 /nfs/dbraw/zinc/62/24/79/598622479.db2.gz QMJYKFIVTXMQTL-QGZVFWFLSA-N 1 0 381.484 1.806 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000735762298 598637695 /nfs/dbraw/zinc/63/76/95/598637695.db2.gz XAXWNLQRSJYEGQ-LBPRGKRZSA-N 1 0 377.424 1.037 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736266082 598638626 /nfs/dbraw/zinc/63/86/26/598638626.db2.gz MPWWGBQHLZPYCQ-RYUDHWBXSA-N 1 0 389.435 1.181 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000736278296 598639414 /nfs/dbraw/zinc/63/94/14/598639414.db2.gz RFFQTTXETGBPSD-GFCCVEGCSA-N 1 0 389.435 1.181 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(Cl)c21 ZINC000736864608 598680014 /nfs/dbraw/zinc/68/00/14/598680014.db2.gz STSNBDSZZYBVIA-JTQLQIEISA-N 1 0 390.854 1.287 20 0 GDADRO Cc1nc(C[C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737471897 598685785 /nfs/dbraw/zinc/68/57/85/598685785.db2.gz OYKSKRNVXRGXJF-HOCLYGCPSA-N 1 0 399.455 1.253 20 0 GDADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000735827347 598691314 /nfs/dbraw/zinc/69/13/14/598691314.db2.gz LBLKFMWWXKUBCU-UHFFFAOYSA-N 1 0 396.492 1.747 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736481646 598693218 /nfs/dbraw/zinc/69/32/18/598693218.db2.gz XMBGHJVMHJVWBZ-UHFFFAOYSA-N 1 0 382.465 1.406 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736990344 598700586 /nfs/dbraw/zinc/70/05/86/598700586.db2.gz OADWGVGPBHKVNB-UHFFFAOYSA-N 1 0 396.451 1.967 20 0 GDADRO COc1ccc(C[N@H+](CCO)CCOc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000737091159 598710123 /nfs/dbraw/zinc/71/01/23/598710123.db2.gz PZANQZCBOHPUCX-UHFFFAOYSA-N 1 0 399.451 1.757 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000737008517 598732335 /nfs/dbraw/zinc/73/23/35/598732335.db2.gz VABNGDZEPHLUPW-GOSISDBHSA-N 1 0 399.499 1.652 20 0 GDADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736403867 598733603 /nfs/dbraw/zinc/73/36/03/598733603.db2.gz XWVFVPQHHWWQMP-CQSZACIVSA-N 1 0 399.499 1.822 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)/C=C\C1CCOCC1 ZINC000736766584 598754237 /nfs/dbraw/zinc/75/42/37/598754237.db2.gz CURLMPAMFIJGDE-SREVYHEPSA-N 1 0 384.484 1.740 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736860563 598757820 /nfs/dbraw/zinc/75/78/20/598757820.db2.gz STYYPBVLWCGXAC-GJZGRUSLSA-N 1 0 396.904 1.767 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736860564 598758081 /nfs/dbraw/zinc/75/80/81/598758081.db2.gz STYYPBVLWCGXAC-HUUCEWRRSA-N 1 0 396.904 1.767 20 0 GDADRO CCCC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)CC(N)=O ZINC000736456330 598758585 /nfs/dbraw/zinc/75/85/85/598758585.db2.gz GGELJUCETYHBCZ-UHFFFAOYSA-N 1 0 379.852 1.436 20 0 GDADRO CC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)CCC(=O)OC ZINC000736534246 598760185 /nfs/dbraw/zinc/76/01/85/598760185.db2.gz JBTUPAGYVJPJSD-UHFFFAOYSA-N 1 0 380.836 1.734 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000737287223 598762072 /nfs/dbraw/zinc/76/20/72/598762072.db2.gz CZXAOYNKOVGMCU-HZPDHXFCSA-N 1 0 383.456 1.199 20 0 GDADRO C[N@H+](CCNC(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)C1CC1 ZINC000736799601 598783932 /nfs/dbraw/zinc/78/39/32/598783932.db2.gz BCWWCBHPVWFPJY-UHFFFAOYSA-N 1 0 385.472 1.514 20 0 GDADRO CCNC(=O)CCCC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736575227 598808886 /nfs/dbraw/zinc/80/88/86/598808886.db2.gz ZOXATJPCHASXLY-UHFFFAOYSA-N 1 0 387.488 1.063 20 0 GDADRO COC[C@H]1CCC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000736978794 598820803 /nfs/dbraw/zinc/82/08/03/598820803.db2.gz RQRASQHSYBXYRA-AWEZNQCLSA-N 1 0 396.455 1.349 20 0 GDADRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736412136 599301691 /nfs/dbraw/zinc/30/16/91/599301691.db2.gz UCEAQUKSCGNOFF-FHLIZLRMSA-N 1 0 397.483 1.209 20 0 GDADRO O=S(=O)(c1ccccc1)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738355610 599302070 /nfs/dbraw/zinc/30/20/70/599302070.db2.gz RCVGMJUOHATTPD-UHFFFAOYSA-N 1 0 398.492 1.810 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530816185 599320618 /nfs/dbraw/zinc/32/06/18/599320618.db2.gz YMBYCHYGWLFPMS-HXUWFJFHSA-N 1 0 378.436 1.120 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821182256 599330115 /nfs/dbraw/zinc/33/01/15/599330115.db2.gz SZDRLJPJBUTSNR-KRWDZBQOSA-N 1 0 381.488 1.807 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2ccccc2-c2nn[nH]n2)C1 ZINC000820092704 599348999 /nfs/dbraw/zinc/34/89/99/599348999.db2.gz NYALHVYYOHAYHE-AWEZNQCLSA-N 1 0 390.513 1.432 20 0 GDADRO C[C@@H](C(=O)NCCNc1ncccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000735537699 599351039 /nfs/dbraw/zinc/35/10/39/599351039.db2.gz RBUJSXDRVDPVSS-AWEZNQCLSA-N 1 0 380.456 1.310 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823600895 599360950 /nfs/dbraw/zinc/36/09/50/599360950.db2.gz LTNSAQHPQMPTAB-CYBMUJFWSA-N 1 0 394.476 1.502 20 0 GDADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823607383 599361784 /nfs/dbraw/zinc/36/17/84/599361784.db2.gz TUAHEZRDOXROSC-CQSZACIVSA-N 1 0 376.486 1.363 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000736820052 599372759 /nfs/dbraw/zinc/37/27/59/599372759.db2.gz JWXJNRUHJNHASM-UHFFFAOYSA-N 1 0 384.484 1.860 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736351582 599384180 /nfs/dbraw/zinc/38/41/80/599384180.db2.gz SYVBFWRHBWIXCI-LLVKDONJSA-N 1 0 391.863 1.449 20 0 GDADRO COc1ccc(O[C@@H](C)C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821837799 599385608 /nfs/dbraw/zinc/38/56/08/599385608.db2.gz HVCMILISYYDQEG-SJCJKPOMSA-N 1 0 382.424 1.459 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000820410722 599389512 /nfs/dbraw/zinc/38/95/12/599389512.db2.gz FSPPBBVPQLXZCV-NWDGAFQWSA-N 1 0 379.424 1.643 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000737799134 599391647 /nfs/dbraw/zinc/39/16/47/599391647.db2.gz JMXUCLTXTPABIL-YVACAVLKSA-N 1 0 382.468 1.497 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C[C@H](C)O1 ZINC000820760946 599406715 /nfs/dbraw/zinc/40/67/15/599406715.db2.gz UKZJTNLQGJJZKX-BETUJISGSA-N 1 0 391.451 1.304 20 0 GDADRO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)ncn1 ZINC000821637545 599430541 /nfs/dbraw/zinc/43/05/41/599430541.db2.gz KLQOTPIYFSNLLM-CQSZACIVSA-N 1 0 395.471 1.466 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736747392 599434151 /nfs/dbraw/zinc/43/41/51/599434151.db2.gz RSOHUBNSWVUCQI-UHFFFAOYSA-N 1 0 377.880 1.875 20 0 GDADRO C[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820357898 599441270 /nfs/dbraw/zinc/44/12/70/599441270.db2.gz KEHWMTBOONAOKL-HUUCEWRRSA-N 1 0 399.499 1.728 20 0 GDADRO c1cc2c(s1)CCN(CC[NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)C2 ZINC000738420262 599487189 /nfs/dbraw/zinc/48/71/89/599487189.db2.gz AZOSEPQTWLYIKH-UHFFFAOYSA-N 1 0 380.481 1.724 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000738421127 599491781 /nfs/dbraw/zinc/49/17/81/599491781.db2.gz PKGJEJWJBXQKBA-AWEZNQCLSA-N 1 0 382.472 1.105 20 0 GDADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000736482215 599492458 /nfs/dbraw/zinc/49/24/58/599492458.db2.gz XXUDIZMBFVRBKV-QGZVFWFLSA-N 1 0 387.488 1.509 20 0 GDADRO CC[C@H](CO)[NH2+][C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736350841 599517700 /nfs/dbraw/zinc/51/77/00/599517700.db2.gz CHOWJYDWDBINKE-GHMZBOCLSA-N 1 0 378.502 1.885 20 0 GDADRO C[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000820481274 599522771 /nfs/dbraw/zinc/52/27/71/599522771.db2.gz UIPJUGWLUXTVIL-SNVBAGLBSA-N 1 0 375.383 1.196 20 0 GDADRO CC[C@H]1C[N@H+](CCn2cccn2)CCN1c1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000820995894 599535720 /nfs/dbraw/zinc/53/57/20/599535720.db2.gz ZVUIJNIJMPGNLQ-ZDUSSCGKSA-N 1 0 387.879 1.712 20 0 GDADRO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1c1snc(Cl)c1-c1nn[nH]n1 ZINC000820995589 599535787 /nfs/dbraw/zinc/53/57/87/599535787.db2.gz UPTCVVPXDWDVQD-LLVKDONJSA-N 1 0 393.908 1.774 20 0 GDADRO C[NH+](C)Cc1ccc(N2CCN(c3ccc(Cl)c(-c4nn[nH]n4)n3)CC2)nc1 ZINC000821588165 599537516 /nfs/dbraw/zinc/53/75/16/599537516.db2.gz FOBNTOLQTWBEIV-UHFFFAOYSA-N 1 0 399.890 1.698 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C[C@H]1C ZINC000820481200 599552896 /nfs/dbraw/zinc/55/28/96/599552896.db2.gz UAPLDUDZZUPEFK-OLZOCXBDSA-N 1 0 390.492 1.342 20 0 GDADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC[C@@H]([NH+]4CCCC4)C3)o2)c1 ZINC000823738357 599565872 /nfs/dbraw/zinc/56/58/72/599565872.db2.gz RZTIQIOYVYJLSK-MRXNPFEDSA-N 1 0 380.456 1.977 20 0 GDADRO O=C(CN1CCC[N@@H+](C2CCCC2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737871922 599592663 /nfs/dbraw/zinc/59/26/63/599592663.db2.gz DPRSHHXUGNOVOU-UHFFFAOYSA-N 1 0 383.500 1.433 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c1-c1nn[nH]n1 ZINC000822313272 599601709 /nfs/dbraw/zinc/60/17/09/599601709.db2.gz LKZCZFLJAZGFIL-UHFFFAOYSA-N 1 0 383.456 1.104 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823358982 599613418 /nfs/dbraw/zinc/61/34/18/599613418.db2.gz IGAGVIVXUMBPCL-AWEZNQCLSA-N 1 0 383.456 1.140 20 0 GDADRO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000738076453 599613774 /nfs/dbraw/zinc/61/37/74/599613774.db2.gz YDQBUYMJNUTBGJ-UHFFFAOYSA-N 1 0 399.503 1.334 20 0 GDADRO O=C(CC[N@@H+](CCO)CCc1ccccc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964378 599638784 /nfs/dbraw/zinc/63/87/84/599638784.db2.gz HJXMZUFMHLHUSB-UHFFFAOYSA-N 1 0 380.452 1.732 20 0 GDADRO COCCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821692246 599642703 /nfs/dbraw/zinc/64/27/03/599642703.db2.gz RWRMPPNXUYSBNB-JSGCOSHPSA-N 1 0 392.460 1.388 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000821109505 599673535 /nfs/dbraw/zinc/67/35/35/599673535.db2.gz KZPLRPCBXLKDCV-UHFFFAOYSA-N 1 0 375.452 1.927 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000737085674 600122921 /nfs/dbraw/zinc/12/29/21/600122921.db2.gz PQRKHQABIQTMLV-MRXNPFEDSA-N 1 0 391.516 1.745 20 0 GDADRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC000820240492 607436114 /nfs/dbraw/zinc/43/61/14/607436114.db2.gz BYONDPFGMRPWEF-GFCCVEGCSA-N 1 0 389.460 1.049 20 0 GDADRO CC(C)c1ncc2c(n1)C[N@@H+](C[C@@H]1CNc3c(-c4nn[nH]n4)cnn3C1)CC2 ZINC000820206295 607442509 /nfs/dbraw/zinc/44/25/09/607442509.db2.gz HPSUORLCRWHVDJ-LBPRGKRZSA-N 1 0 380.460 1.077 20 0 GDADRO C[C@@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)C[NH+]1CCN(C)CC1 ZINC000824420560 607458030 /nfs/dbraw/zinc/45/80/30/607458030.db2.gz MOMCQKJOUNIDMX-HNNXBMFYSA-N 1 0 398.515 1.039 20 0 GDADRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825089708 607469056 /nfs/dbraw/zinc/46/90/56/607469056.db2.gz LGQSCWZWXUUWBJ-UHFFFAOYSA-N 1 0 378.433 1.727 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCn2cncc2C1 ZINC000825865774 607471110 /nfs/dbraw/zinc/47/11/10/607471110.db2.gz KJJMXWRBFZZLQD-KRWDZBQOSA-N 1 0 394.483 1.216 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820995342 607485797 /nfs/dbraw/zinc/48/57/97/607485797.db2.gz PWFQDCFQDZYODI-IAQYHMDHSA-N 1 0 382.465 1.156 20 0 GDADRO COc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1-c1nn[nH]n1 ZINC000826194458 607487520 /nfs/dbraw/zinc/48/75/20/607487520.db2.gz MJWVHYKFRUGAIZ-AWEZNQCLSA-N 1 0 394.501 1.169 20 0 GDADRO O=C(COc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823044722 607502861 /nfs/dbraw/zinc/50/28/61/607502861.db2.gz ZLSWZJGHFXYVTK-MAUKXSAKSA-N 1 0 382.468 1.721 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCNc2ncccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000825452525 607512936 /nfs/dbraw/zinc/51/29/36/607512936.db2.gz PVAHPFGTYIINQA-DZGCQCFKSA-N 1 0 387.492 1.045 20 0 GDADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)nc1 ZINC000826290615 607522228 /nfs/dbraw/zinc/52/22/28/607522228.db2.gz SATCPXLNVFDHJU-OAHLLOKOSA-N 1 0 378.440 1.816 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476128 607527575 /nfs/dbraw/zinc/52/75/75/607527575.db2.gz BEOQDNBFFVFZEJ-SOLBZPMBSA-N 1 0 382.468 1.721 20 0 GDADRO COc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826199123 607565014 /nfs/dbraw/zinc/56/50/14/607565014.db2.gz QPJBLVCNRZJSJN-KGLIPLIRSA-N 1 0 387.488 1.795 20 0 GDADRO OCC1(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)COC1 ZINC000826508329 607571763 /nfs/dbraw/zinc/57/17/63/607571763.db2.gz MOYWSBGPYVKPJR-UHFFFAOYSA-N 1 0 381.436 1.544 20 0 GDADRO CN(C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1)C(=O)[O-] ZINC000739660468 602528602 /nfs/dbraw/zinc/52/86/02/602528602.db2.gz IJNUEYDZDCQTAS-IBGZPJMESA-N 1 0 388.512 1.830 20 0 GDADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000826491242 607586219 /nfs/dbraw/zinc/58/62/19/607586219.db2.gz ZCULLVZUXWCBBG-UHFFFAOYSA-N 1 0 384.893 1.674 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000824937196 607588404 /nfs/dbraw/zinc/58/84/04/607588404.db2.gz OFQBLMMURVDBPP-NSHDSACASA-N 1 0 384.893 1.673 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000824948677 607588911 /nfs/dbraw/zinc/58/89/11/607588911.db2.gz USNZKLJCJBHBFE-VXGBXAGGSA-N 1 0 382.465 1.405 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)C[NH+]1CCCC1 ZINC000824428547 607591783 /nfs/dbraw/zinc/59/17/83/607591783.db2.gz SQAUJNNCVSBJNS-NSHDSACASA-N 1 0 384.893 1.530 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000825326900 607601850 /nfs/dbraw/zinc/60/18/50/607601850.db2.gz ICYOHYXWZUDVEX-UHFFFAOYSA-N 1 0 382.465 1.406 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000825454242 607602722 /nfs/dbraw/zinc/60/27/22/607602722.db2.gz ZWOZYQMSLDFCGU-NSHDSACASA-N 1 0 384.893 1.530 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000826029810 607616648 /nfs/dbraw/zinc/61/66/48/607616648.db2.gz XJBHJQKKGZYYMP-NSHDSACASA-N 1 0 384.893 1.482 20 0 GDADRO COc1ccc(CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1-c1nn[nH]n1 ZINC000826197784 607626294 /nfs/dbraw/zinc/62/62/94/607626294.db2.gz CQZNMCBULJYGAS-INIZCTEOSA-N 1 0 399.499 1.749 20 0 GDADRO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826330724 607638109 /nfs/dbraw/zinc/63/81/09/607638109.db2.gz FYCVRDMDXGTDBL-QZTJIDSGSA-N 1 0 392.467 1.642 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000825453617 607648699 /nfs/dbraw/zinc/64/86/99/607648699.db2.gz WDJZBHDRINFZHR-UHFFFAOYSA-N 1 0 382.465 1.406 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000825219137 607652350 /nfs/dbraw/zinc/65/23/50/607652350.db2.gz HRKNXVYEWZEJEC-CHWSQXEVSA-N 1 0 380.449 1.253 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000825856653 607662254 /nfs/dbraw/zinc/66/22/54/607662254.db2.gz ZUKLNKPHHHDLIW-QWRGUYRKSA-N 1 0 384.893 1.671 20 0 GDADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000824876432 607666757 /nfs/dbraw/zinc/66/67/57/607666757.db2.gz SJFUYQWLTQVQMA-MCIONIFRSA-N 1 0 378.502 1.511 20 0 GDADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccccc1-c1nn[nH]n1)CC(C)C ZINC000825406329 607671040 /nfs/dbraw/zinc/67/10/40/607671040.db2.gz KNCQLVAZERPSGD-AWEZNQCLSA-N 1 0 380.518 1.902 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(Br)c(F)c2F)CCCO1 ZINC000529367950 649941719 /nfs/dbraw/zinc/94/17/19/649941719.db2.gz BINMHHAAFITQGW-JTQLQIEISA-N 1 0 378.217 1.987 20 0 GDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC000825458348 607698305 /nfs/dbraw/zinc/69/83/05/607698305.db2.gz CIWFLZHQXKPHPX-UHFFFAOYSA-N 1 0 394.483 1.262 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000833625355 605205997 /nfs/dbraw/zinc/20/59/97/605205997.db2.gz LEZKQABDMWAFFL-QGZVFWFLSA-N 1 0 388.512 1.055 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]C3CC[NH+](CC(=O)[O-])CC3)cc2)C[C@H](C)O1 ZINC000833623334 605224421 /nfs/dbraw/zinc/22/44/21/605224421.db2.gz PEEHOZCSEODUGH-HOTGVXAUSA-N 1 0 389.496 1.575 20 0 GDADRO CCOc1cc(Cl)ccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000825615777 607752895 /nfs/dbraw/zinc/75/28/95/607752895.db2.gz KDEJJQQOJYXAHS-NSHDSACASA-N 1 0 388.863 1.947 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000824697258 607756871 /nfs/dbraw/zinc/75/68/71/607756871.db2.gz AVHFUWJOCNJOGK-TUAOUCFPSA-N 1 0 390.513 1.979 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(c2nc3ccccc3cc2-c2nn[nH]n2)CC1 ZINC000822997118 606071838 /nfs/dbraw/zinc/07/18/38/606071838.db2.gz NQBIBUPUMOHVBX-UHFFFAOYSA-N 1 0 392.467 1.159 20 0 GDADRO C[C@@H]1CCc2c(sc(NC(=O)CC[N@@H+]3CC[C@H](CO)C3)c2-c2nn[nH]n2)C1 ZINC000820726888 606082131 /nfs/dbraw/zinc/08/21/31/606082131.db2.gz COLJVQMAMLAOEN-NEPJUHHUSA-N 1 0 390.513 1.696 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596651 606098277 /nfs/dbraw/zinc/09/82/77/606098277.db2.gz QTYGVQJGTCIAMQ-AEFFLSMTSA-N 1 0 386.500 1.270 20 0 GDADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C1CCOCC1 ZINC000821597995 606111156 /nfs/dbraw/zinc/11/11/56/606111156.db2.gz NIOZRIABWJVQFI-UHFFFAOYSA-N 1 0 376.486 1.856 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000820683759 606112534 /nfs/dbraw/zinc/11/25/34/606112534.db2.gz HAGDIFPNTIMHOT-GASCZTMLSA-N 1 0 383.500 1.825 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000821253586 606123987 /nfs/dbraw/zinc/12/39/87/606123987.db2.gz HMZXFXYWECTGDE-HNNXBMFYSA-N 1 0 395.471 1.191 20 0 GDADRO CCC[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000821094009 606124966 /nfs/dbraw/zinc/12/49/66/606124966.db2.gz AKVBTCSXIOAGMM-LLVKDONJSA-N 1 0 398.514 1.156 20 0 GDADRO C[C@@H](CCN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000820242968 606172694 /nfs/dbraw/zinc/17/26/94/606172694.db2.gz RUZBBSJGULZVGD-HNAYVOBHSA-N 1 0 393.495 1.893 20 0 GDADRO COC1CC[NH+](CCNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821679917 606196775 /nfs/dbraw/zinc/19/67/75/606196775.db2.gz RIABVLHDNBQTDH-SFHVURJKSA-N 1 0 399.499 1.063 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4nn[nH]n4)cn3C)cc2)CC1 ZINC000821275637 606212852 /nfs/dbraw/zinc/21/28/52/606212852.db2.gz BQDFBSLDYSVFCZ-UHFFFAOYSA-N 1 0 380.456 1.599 20 0 GDADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(-c3nn[nH]n3)cn2C)CC1 ZINC000822356186 606280657 /nfs/dbraw/zinc/28/06/57/606280657.db2.gz MADDHEZDQQDMMA-UHFFFAOYSA-N 1 0 379.468 1.908 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000820717781 606292730 /nfs/dbraw/zinc/29/27/30/606292730.db2.gz WDXSJAOONLXKGP-OAHLLOKOSA-N 1 0 379.468 1.942 20 0 GDADRO O=C([C@H]1CC12CCOCC2)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822916698 606315746 /nfs/dbraw/zinc/31/57/46/606315746.db2.gz AGYMMXPPOSJXGE-GOSISDBHSA-N 1 0 396.495 1.718 20 0 GDADRO O=C1[C@H]([NH+]2CCC(c3c[nH]cn3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823503919 606334939 /nfs/dbraw/zinc/33/49/39/606334939.db2.gz KPKPHIHHNIXYFO-QGZVFWFLSA-N 1 0 378.440 1.575 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000823187232 606346468 /nfs/dbraw/zinc/34/64/68/606346468.db2.gz HGBZVQDFFMHTLM-ZDUSSCGKSA-N 1 0 377.424 1.364 20 0 GDADRO C[C@]1(O)CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000820629252 606378050 /nfs/dbraw/zinc/37/80/50/606378050.db2.gz VQQKFSKJIBCHQM-SFHVURJKSA-N 1 0 390.513 1.982 20 0 GDADRO C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820366944 606381756 /nfs/dbraw/zinc/38/17/56/606381756.db2.gz QGYKRSJHVAMFHM-CQSZACIVSA-N 1 0 386.504 1.253 20 0 GDADRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000823578023 606388043 /nfs/dbraw/zinc/38/80/43/606388043.db2.gz FTLJDQRTQTVGNK-UHFFFAOYSA-N 1 0 398.492 1.941 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821584907 606398442 /nfs/dbraw/zinc/39/84/42/606398442.db2.gz XOIWYZHJGGOKAB-UHFFFAOYSA-N 1 0 389.435 1.135 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821623205 606399293 /nfs/dbraw/zinc/39/92/93/606399293.db2.gz GHXZSYWALRAMDI-GJZGRUSLSA-N 1 0 387.419 1.030 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000820133974 606400789 /nfs/dbraw/zinc/40/07/89/606400789.db2.gz VBIGYLYNDSZFJE-GFCCVEGCSA-N 1 0 389.435 1.181 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@@H](C)C1 ZINC000820768314 606423457 /nfs/dbraw/zinc/42/34/57/606423457.db2.gz MMGQURFBSQHHNO-WCQYABFASA-N 1 0 384.531 1.466 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821581772 606484450 /nfs/dbraw/zinc/48/44/50/606484450.db2.gz UTOPTEHCAGJLOS-MNOVXSKESA-N 1 0 384.893 1.671 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821587127 606508619 /nfs/dbraw/zinc/50/86/19/606508619.db2.gz IAACHWHAQCRTDS-UHFFFAOYSA-N 1 0 385.453 1.472 20 0 GDADRO COc1cccc([C@H](CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)[NH+](C)C)c1 ZINC000821859550 606520419 /nfs/dbraw/zinc/52/04/19/606520419.db2.gz QGFZOCXOWHRICW-SFHVURJKSA-N 1 0 380.452 1.837 20 0 GDADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821622017 606589984 /nfs/dbraw/zinc/58/99/84/606589984.db2.gz PCTDZSHASJTHJF-UHFFFAOYSA-N 1 0 377.452 1.998 20 0 GDADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000823066429 606590432 /nfs/dbraw/zinc/59/04/32/606590432.db2.gz ZCMLVJHDEDRHJH-CQSZACIVSA-N 1 0 388.497 1.140 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000821351182 606621753 /nfs/dbraw/zinc/62/17/53/606621753.db2.gz MVMCTJPEIFLIHY-KBPBESRZSA-N 1 0 376.461 1.107 20 0 GDADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820649928 606636233 /nfs/dbraw/zinc/63/62/33/606636233.db2.gz PDENHSWDPQIXEA-RBSFLKMASA-N 1 0 392.529 1.653 20 0 GDADRO C[C@H]1C[NH+](CCCCNC(=O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000820759337 606641424 /nfs/dbraw/zinc/64/14/24/606641424.db2.gz JLHSTXCKWVKUCA-GJZGRUSLSA-N 1 0 388.472 1.251 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000821061575 606739848 /nfs/dbraw/zinc/73/98/48/606739848.db2.gz QTTXMEZWJXNNOE-UHFFFAOYSA-N 1 0 379.852 1.307 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)c2ccccc2O1 ZINC000821584471 606747211 /nfs/dbraw/zinc/74/72/11/606747211.db2.gz FUPOXNPLUHIJDL-INIZCTEOSA-N 1 0 378.436 1.765 20 0 GDADRO COC(=O)N1CCC([NH2+]CCSCc2ccccc2-c2nn[nH]n2)CC1 ZINC000821664688 606770367 /nfs/dbraw/zinc/77/03/67/606770367.db2.gz FJNJVJQUVDCSOC-UHFFFAOYSA-N 1 0 376.486 1.920 20 0 GDADRO Cc1nc(SCC(=O)N2CCC[C@H]2C[NH+](C)C)c(-c2nn[nH]n2)c(C)c1C ZINC000822454605 606791736 /nfs/dbraw/zinc/79/17/36/606791736.db2.gz YSHBMPSWUJEGOO-AWEZNQCLSA-N 1 0 389.529 1.832 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820092017 606832564 /nfs/dbraw/zinc/83/25/64/606832564.db2.gz DSLSTCIZSKECLQ-LPHOPBHVSA-N 1 0 397.527 1.930 20 0 GDADRO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1sccc1-c1nn[nH]n1 ZINC000823166353 606833670 /nfs/dbraw/zinc/83/36/70/606833670.db2.gz JJWLKLXKEKIBJC-AWEZNQCLSA-N 1 0 384.465 1.077 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cncn2)cc1 ZINC000820420060 606845569 /nfs/dbraw/zinc/84/55/69/606845569.db2.gz LWWGDCWWEVIJRU-UGSOOPFHSA-N 1 0 376.424 1.832 20 0 GDADRO COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821723606 606845876 /nfs/dbraw/zinc/84/58/76/606845876.db2.gz FOAGIIYHORIIMF-OAHLLOKOSA-N 1 0 385.424 1.716 20 0 GDADRO O=C(c1ccc(C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1)N1CCCC1 ZINC000823488871 606851519 /nfs/dbraw/zinc/85/15/19/606851519.db2.gz WUXOFRYCGYQGHA-IBGZPJMESA-N 1 0 392.463 1.926 20 0 GDADRO O[C@@H](C[NH+]1CCC(c2nnc3n2CCC3)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682365 606860341 /nfs/dbraw/zinc/86/03/41/606860341.db2.gz PCZXOWKBGNDKLT-INIZCTEOSA-N 1 0 380.456 1.317 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000820752554 606875377 /nfs/dbraw/zinc/87/53/77/606875377.db2.gz OLYBHNVBRZYACL-RHSMWYFYSA-N 1 0 396.499 1.181 20 0 GDADRO c1cc(OCCCN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc(-c2nn[nH]n2)c1 ZINC000823762658 606886515 /nfs/dbraw/zinc/88/65/15/606886515.db2.gz RSZKVKHADUJWKE-LJQANCHMSA-N 1 0 386.500 1.822 20 0 GDADRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 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C[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553737 608463660 /nfs/dbraw/zinc/46/36/60/608463660.db2.gz GNTDLFRIZVPUEH-DVOMOZLQSA-N 1 0 385.472 1.922 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553740 608463755 /nfs/dbraw/zinc/46/37/55/608463755.db2.gz GNTDLFRIZVPUEH-XEZPLFJOSA-N 1 0 385.472 1.922 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sccc1C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824531394 608464371 /nfs/dbraw/zinc/46/43/71/608464371.db2.gz PJNLGARXFQEWIH-ZJUUUORDSA-N 1 0 385.453 1.705 20 0 GDADRO CC1(C)NC(=O)N(CC[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000824812195 608465328 /nfs/dbraw/zinc/46/53/28/608465328.db2.gz KUUHAMHXPVYCTB-UHFFFAOYSA-N 1 0 381.440 1.286 20 0 GDADRO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823967815 608480105 /nfs/dbraw/zinc/48/01/05/608480105.db2.gz POCNIJOAAFENRC-IFXJQAMLSA-N 1 0 392.463 1.834 20 0 GDADRO 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/nfs/dbraw/zinc/77/52/72/608775272.db2.gz FRQKHHQARGBBDX-UHFFFAOYSA-N 1 0 384.488 1.080 20 0 GDADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cnccc1-c1nn[nH]n1 ZINC000826023232 608788736 /nfs/dbraw/zinc/78/87/36/608788736.db2.gz ZHNNWPSBBAXSTP-UHFFFAOYSA-N 1 0 384.532 1.894 20 0 GDADRO NC(=O)N[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000826392408 608850895 /nfs/dbraw/zinc/85/08/95/608850895.db2.gz XKIPHNBFLWNJQE-INIZCTEOSA-N 1 0 393.451 1.688 20 0 GDADRO C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824586040 609140991 /nfs/dbraw/zinc/14/09/91/609140991.db2.gz WMBBVKSWFRIQEG-OCCSQVGLSA-N 1 0 375.452 1.244 20 0 GDADRO C[C@@H](O)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000824689711 609145754 /nfs/dbraw/zinc/14/57/54/609145754.db2.gz NEROIZJBKJPAIR-GHMZBOCLSA-N 1 0 376.486 1.448 20 0 GDADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826166473 609153404 /nfs/dbraw/zinc/15/34/04/609153404.db2.gz MAJKEFIKJIRYQR-YGRLFVJLSA-N 1 0 382.465 1.798 20 0 GDADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826433890 609188331 /nfs/dbraw/zinc/18/83/31/609188331.db2.gz UZEXLKLNYMTARR-NVXWUHKLSA-N 1 0 398.492 1.915 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825459953 609199675 /nfs/dbraw/zinc/19/96/75/609199675.db2.gz OVIIJYABPAARGU-MRXNPFEDSA-N 1 0 380.456 1.717 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826432344 609204680 /nfs/dbraw/zinc/20/46/80/609204680.db2.gz XZZDQGIVWHPMRG-GOSISDBHSA-N 1 0 393.451 1.076 20 0 GDADRO CC[NH+]1CCC(n2nccc2NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825452841 609221098 /nfs/dbraw/zinc/22/10/98/609221098.db2.gz RCMSYDIIAGKOPY-QGZVFWFLSA-N 1 0 396.455 1.392 20 0 GDADRO Cc1cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826256851 609228410 /nfs/dbraw/zinc/22/84/10/609228410.db2.gz CPTAINUXOGCVEB-GOSISDBHSA-N 1 0 392.467 1.527 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824553259 609238619 /nfs/dbraw/zinc/23/86/19/609238619.db2.gz AQYYGPHXWNRWSZ-ZETOZRRWSA-N 1 0 382.465 1.326 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826038456 609292108 /nfs/dbraw/zinc/29/21/08/609292108.db2.gz PGOZMMKVSABJOC-UHFFFAOYSA-N 1 0 377.880 1.230 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc(O)cc1F ZINC000825866086 609298548 /nfs/dbraw/zinc/29/85/48/609298548.db2.gz QUVZNNHCSKPZFY-UHFFFAOYSA-N 1 0 384.415 1.915 20 0 GDADRO COc1cccc([C@@H]2[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[N@@H+]2C2CC2)c1 ZINC000826215694 609337434 /nfs/dbraw/zinc/33/74/34/609337434.db2.gz WJWYLEKJUIHETR-SJLPKXTDSA-N 1 0 393.451 1.911 20 0 GDADRO Cn1cc(C[NH2+]CCCN2CCOC2=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361793 609338704 /nfs/dbraw/zinc/33/87/04/609338704.db2.gz PAPJIAIBHFACKF-UHFFFAOYSA-N 1 0 382.428 1.199 20 0 GDADRO C[NH+](C)CCOc1cc(C(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)ccn1 ZINC000825870302 609350655 /nfs/dbraw/zinc/35/06/55/609350655.db2.gz FVOWJCWTKSNOTK-UHFFFAOYSA-N 1 0 379.424 1.405 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C1 ZINC000826028776 609364283 /nfs/dbraw/zinc/36/42/83/609364283.db2.gz HXHYPGOGFWXVBO-LBPRGKRZSA-N 1 0 399.434 1.655 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000826357446 609376543 /nfs/dbraw/zinc/37/65/43/609376543.db2.gz GFBODMSWTVIRND-QGZVFWFLSA-N 1 0 395.467 1.092 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826443204 609416909 /nfs/dbraw/zinc/41/69/09/609416909.db2.gz FVDFYFYCCGSLLY-SFHVURJKSA-N 1 0 378.436 1.363 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1sccc1-c1nn[nH]n1 ZINC000826443487 609425598 /nfs/dbraw/zinc/42/55/98/609425598.db2.gz RGGBSNOWDBXCOE-AWEZNQCLSA-N 1 0 384.465 1.425 20 0 GDADRO COc1cccc([C@H](CO)[NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)c1 ZINC000826214589 609426964 /nfs/dbraw/zinc/42/69/64/609426964.db2.gz QODUJSPKNAKADV-AWEZNQCLSA-N 1 0 388.453 1.589 20 0 GDADRO COc1ccc2c(c1)CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826212741 609508166 /nfs/dbraw/zinc/50/81/66/609508166.db2.gz ZVCCIGQJJUKVHW-WMZOPIPTSA-N 1 0 378.436 1.549 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000825850752 609512169 /nfs/dbraw/zinc/51/21/69/609512169.db2.gz RQTDNPCPFKOVIX-UHFFFAOYSA-N 1 0 378.502 1.551 20 0 GDADRO CCN(CC)S(=O)(=O)CC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000530817514 649981488 /nfs/dbraw/zinc/98/14/88/649981488.db2.gz DMYZQRYOONBXMW-UHFFFAOYSA-N 1 0 391.603 1.526 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826487807 609546491 /nfs/dbraw/zinc/54/64/91/609546491.db2.gz AJBGFNMBVMJHDL-LBPRGKRZSA-N 1 0 382.877 1.283 20 0 GDADRO CC(C)CC[NH+]1CCC(CNC(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000531429000 649991159 /nfs/dbraw/zinc/99/11/59/649991159.db2.gz QBTIYAAOOYLPKE-UHFFFAOYSA-N 1 0 387.571 1.812 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000531512032 649992915 /nfs/dbraw/zinc/99/29/15/649992915.db2.gz DRTJSNQKUKZFCG-INIZCTEOSA-N 1 0 381.567 1.995 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000532466751 650024918 /nfs/dbraw/zinc/02/49/18/650024918.db2.gz SHOXPJDUEPPJOS-AWEZNQCLSA-N 1 0 382.302 1.854 20 0 GDADRO COCC[NH+]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000532464100 650024986 /nfs/dbraw/zinc/02/49/86/650024986.db2.gz HEGFYHJNDIYZFI-UHFFFAOYSA-N 1 0 381.274 1.221 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000532498317 650026031 /nfs/dbraw/zinc/02/60/31/650026031.db2.gz BBPZPGJWUZNUPL-AWEZNQCLSA-N 1 0 388.559 1.364 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC000532791520 650034018 /nfs/dbraw/zinc/03/40/18/650034018.db2.gz YSFUNJJYWWKINB-GHMZBOCLSA-N 1 0 394.950 1.462 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)sc1C ZINC000533253491 650047274 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650421924 /nfs/dbraw/zinc/42/19/24/650421924.db2.gz UIFSDUNHULBUDP-UHFFFAOYSA-N 1 0 391.269 1.660 20 0 GDADRO C[NH+](C)C1CN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000543592884 650424179 /nfs/dbraw/zinc/42/41/79/650424179.db2.gz JNQOWTCWLIDSGZ-UHFFFAOYSA-N 1 0 380.392 1.305 20 0 GDADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(I)cc1 ZINC000544656178 650442957 /nfs/dbraw/zinc/44/29/57/650442957.db2.gz YKWYFOAKNDANHO-JTQLQIEISA-N 1 0 382.267 1.910 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000545193341 650451134 /nfs/dbraw/zinc/45/11/34/650451134.db2.gz JLXKPGUOUGZAAF-HNNXBMFYSA-N 1 0 397.317 1.429 20 0 GDADRO CC(=O)N[C@@H](CC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000545881803 650463902 /nfs/dbraw/zinc/46/39/02/650463902.db2.gz OTPLUXGETQHMHJ-DOTOQJQBSA-N 1 0 398.301 1.199 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2=O)ccc1Br ZINC000545911834 650465524 /nfs/dbraw/zinc/46/55/24/650465524.db2.gz RYLPLHBZFDGUSC-DOMZBBRYSA-N 1 0 380.286 1.931 20 0 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651023064 /nfs/dbraw/zinc/02/30/64/651023064.db2.gz GLEHFGATLCZBJN-UHFFFAOYSA-N 1 0 375.194 1.692 20 0 GDADRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)[C@@H](C)C[NH2+]1 ZINC000570066320 651025008 /nfs/dbraw/zinc/02/50/08/651025008.db2.gz JXUPFXAQAVAIKL-MNOVXSKESA-N 1 0 392.884 1.149 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570066405 651025200 /nfs/dbraw/zinc/02/52/00/651025200.db2.gz SXTAKFSQBRHROR-WCQYABFASA-N 1 0 387.267 1.386 20 0 GDADRO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000570232078 651031242 /nfs/dbraw/zinc/03/12/42/651031242.db2.gz JUOZNTCOOICCBE-TVQRCGJNSA-N 1 0 381.292 1.145 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CN(C)C[C@H]2C)c1 ZINC000570230654 651031385 /nfs/dbraw/zinc/03/13/85/651031385.db2.gz HAIUVFQULISASD-OCCSQVGLSA-N 1 0 390.347 1.576 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c(Br)o1 ZINC000368631730 645621848 /nfs/dbraw/zinc/62/18/48/645621848.db2.gz INDVRGVWZARPQQ-JTQLQIEISA-N 1 0 393.259 1.249 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CCC[NH2+]CC3)C2)s1 ZINC000368722672 645622832 /nfs/dbraw/zinc/62/28/32/645622832.db2.gz RKZDCJLMGLBCPY-GJZGRUSLSA-N 1 0 385.555 1.716 20 0 GDADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000369775523 645658732 /nfs/dbraw/zinc/65/87/32/645658732.db2.gz YAJDEPIMIBHHJD-LSDHHAIUSA-N 1 0 379.507 1.240 20 0 GDADRO CC[NH+](CC)CCSCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000370275883 645678961 /nfs/dbraw/zinc/67/89/61/645678961.db2.gz RNGWAQCXDAEFLY-UHFFFAOYSA-N 1 0 377.576 1.134 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000370396945 645688889 /nfs/dbraw/zinc/68/88/89/645688889.db2.gz CCROEHVZJMGLNK-YPMHNXCESA-N 1 0 396.285 1.679 20 0 GDADRO O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000570477858 651041716 /nfs/dbraw/zinc/04/17/16/651041716.db2.gz SPTSVGXMBKALJN-MFKMUULPSA-N 1 0 392.308 1.482 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(F)cc2I)C1 ZINC000570613379 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CN(CC[NH3+])C(=O)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000419434063 645917227 /nfs/dbraw/zinc/91/72/27/645917227.db2.gz AEKLHFJQMGQFDF-UHFFFAOYSA-N 1 0 380.189 1.084 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000419434061 645917256 /nfs/dbraw/zinc/91/72/56/645917256.db2.gz ADPPULOYZJYWLK-UHFFFAOYSA-N 1 0 394.216 1.522 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000419438472 645917718 /nfs/dbraw/zinc/91/77/18/645917718.db2.gz HNOIJIXNTKIKCN-GXFFZTMASA-N 1 0 384.274 1.270 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCc1cc(Cl)ccc1Br ZINC000419489640 645920147 /nfs/dbraw/zinc/92/01/47/645920147.db2.gz DIBIPQNWNHWUJY-VIFPVBQESA-N 1 0 376.682 1.567 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419524789 645923005 /nfs/dbraw/zinc/92/30/05/645923005.db2.gz QIQLWRZEQXHQKV-SWLSCSKDSA-N 1 0 396.329 1.957 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419524790 645923009 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1.886 20 0 GDADRO O=S(=O)(CCN1CC[C@@H](N2CC[NH2+]CC2)C1)c1cc(Cl)ccc1Cl ZINC000420351836 645941558 /nfs/dbraw/zinc/94/15/58/645941558.db2.gz XUAQIXUEESZPDG-CQSZACIVSA-N 1 0 392.352 1.747 20 0 GDADRO CCOc1ccc(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)cc1Br ZINC000420475043 645944156 /nfs/dbraw/zinc/94/41/56/645944156.db2.gz ZGBOMGCUVGNMHK-LLVKDONJSA-N 1 0 393.303 1.586 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000916453207 660193465 /nfs/dbraw/zinc/19/34/65/660193465.db2.gz KWPTVJOFPVSUKS-OAHLLOKOSA-N 1 0 375.535 1.311 20 0 GDADRO C[NH+](C)C1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000421683021 646018728 /nfs/dbraw/zinc/01/87/28/646018728.db2.gz BZMQKRDWVAVVAS-NRXISQOPSA-N 1 0 385.555 1.890 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000422371228 646061330 /nfs/dbraw/zinc/06/13/30/646061330.db2.gz XZOFLBBKDHPUMA-SNVBAGLBSA-N 1 0 378.420 1.373 20 0 GDADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422731020 646098080 /nfs/dbraw/zinc/09/80/80/646098080.db2.gz GFNVNRFHASBDSZ-KGLIPLIRSA-N 1 0 384.274 1.062 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)C[C@H]2COCC[NH2+]2)s1 ZINC000422931251 646100511 /nfs/dbraw/zinc/10/05/11/646100511.db2.gz BIPQMLMZKRFGJH-KBPBESRZSA-N 1 0 375.560 1.635 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000422992640 646106296 /nfs/dbraw/zinc/10/62/96/646106296.db2.gz RRLGGJLFRXNVIH-JSGCOSHPSA-N 1 0 382.302 1.851 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000422995216 646106873 /nfs/dbraw/zinc/10/68/73/646106873.db2.gz JPRUAVHSXDLOPS-KBPBESRZSA-N 1 0 380.286 1.475 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000423004531 646108130 /nfs/dbraw/zinc/10/81/30/646108130.db2.gz PKCHDMVKAVDAPM-UHFFFAOYSA-N 1 0 386.290 1.354 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000916921169 660203449 /nfs/dbraw/zinc/20/34/49/660203449.db2.gz YNFPGJWQKYCBTC-UHFFFAOYSA-N 1 0 389.905 1.421 20 0 GDADRO O=S(=O)(NCCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)c1ccccc1Cl ZINC000423095084 646112261 /nfs/dbraw/zinc/11/22/61/646112261.db2.gz DDGZIYYSAIIVHV-WBVHZDCISA-N 1 0 387.933 1.365 20 0 GDADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423120041 646115101 /nfs/dbraw/zinc/11/51/01/646115101.db2.gz FYXCJOIWIQDLLX-CYBMUJFWSA-N 1 0 382.302 1.995 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000423172189 646117320 /nfs/dbraw/zinc/11/73/20/646117320.db2.gz RSVDSFBWXXYQTR-WFASDCNBSA-N 1 0 380.286 1.920 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423406737 646124457 /nfs/dbraw/zinc/12/44/57/646124457.db2.gz LDLKPZTVZIBGSO-CQSZACIVSA-N 1 0 398.301 1.626 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423411254 646125269 /nfs/dbraw/zinc/12/52/69/646125269.db2.gz UECGLIQZYKTKRX-DOMZBBRYSA-N 1 0 398.301 1.482 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423455371 646125926 /nfs/dbraw/zinc/12/59/26/646125926.db2.gz MDKVMSNLUCWIRF-GOSISDBHSA-N 1 0 394.313 1.928 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000423533354 646128304 /nfs/dbraw/zinc/12/83/04/646128304.db2.gz XLOSVLFRIBBZGZ-QGZVFWFLSA-N 1 0 398.276 1.670 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000423533353 646128331 /nfs/dbraw/zinc/12/83/31/646128331.db2.gz XLOSVLFRIBBZGZ-KRWDZBQOSA-N 1 0 398.276 1.670 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000423572422 646131522 /nfs/dbraw/zinc/13/15/22/646131522.db2.gz XCSLWTJYLAGFPC-UHFFFAOYSA-N 1 0 378.523 1.743 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000423569761 646131630 /nfs/dbraw/zinc/13/16/30/646131630.db2.gz SNHDGRKYBAKVSC-UHFFFAOYSA-N 1 0 382.302 1.746 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000423592553 646134630 /nfs/dbraw/zinc/13/46/30/646134630.db2.gz LSOKEKDEIVIGTM-AWEZNQCLSA-N 1 0 381.274 1.457 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1cc(OC)ccc1Br ZINC000423596166 646135285 /nfs/dbraw/zinc/13/52/85/646135285.db2.gz RFKIBYRVNQZDHP-ZDUSSCGKSA-N 1 0 398.301 1.627 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423597785 646135796 /nfs/dbraw/zinc/13/57/96/646135796.db2.gz OQFOBGGDBIWVJJ-HIFRSBDPSA-N 1 0 394.313 1.866 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000423601520 646135825 /nfs/dbraw/zinc/13/58/25/646135825.db2.gz ZPSIFISHQUPHPQ-GXTWGEPZSA-N 1 0 381.274 1.328 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000423615769 646136995 /nfs/dbraw/zinc/13/69/95/646136995.db2.gz ZNZTZCQFKDFWAG-NSHDSACASA-N 1 0 384.274 1.236 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000423613279 646137215 /nfs/dbraw/zinc/13/72/15/646137215.db2.gz VGSFRIWHXAKYLL-DZGCQCFKSA-N 1 0 394.313 1.660 20 0 GDADRO O=C(C(=O)N1CC[NH2+]CC1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000423626077 646138567 /nfs/dbraw/zinc/13/85/67/646138567.db2.gz RXMUQQSHTZUNHD-CQSZACIVSA-N 1 0 380.286 1.272 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000423671040 646141440 /nfs/dbraw/zinc/14/14/40/646141440.db2.gz BPEQLJLDACNJCB-UKRRQHHQSA-N 1 0 394.313 1.660 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000423688932 646143257 /nfs/dbraw/zinc/14/32/57/646143257.db2.gz XJQGJZJCCBXJQE-GWCFXTLKSA-N 1 0 390.303 1.018 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000423690278 646143324 /nfs/dbraw/zinc/14/33/24/646143324.db2.gz YKKZSHNFLZMFHQ-GWCFXTLKSA-N 1 0 379.258 1.497 20 0 GDADRO [NH3+]C[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CCCC1 ZINC000423937959 646143875 /nfs/dbraw/zinc/14/38/75/646143875.db2.gz HZPHCIFNLVWSEI-AWEZNQCLSA-N 1 0 394.269 1.679 20 0 GDADRO CN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@@H](C[NH3+])C1CC1 ZINC000423963431 646147560 /nfs/dbraw/zinc/14/75/60/646147560.db2.gz VZEUXTREUJXNPC-AWEZNQCLSA-N 1 0 379.258 1.355 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423990836 646149512 /nfs/dbraw/zinc/14/95/12/646149512.db2.gz CZUKHNIVKSDVIY-CQSZACIVSA-N 1 0 379.258 1.661 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CCCO1 ZINC000424019782 646153217 /nfs/dbraw/zinc/15/32/17/646153217.db2.gz KUNWGLLZARWUHV-AWEZNQCLSA-N 1 0 379.258 1.825 20 0 GDADRO C[NH2+]CCCN(C)C(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 ZINC000424014064 646153270 /nfs/dbraw/zinc/15/32/70/646153270.db2.gz TYVXHZNMODGAAY-INIZCTEOSA-N 1 0 387.571 1.463 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000424014977 646153307 /nfs/dbraw/zinc/15/33/07/646153307.db2.gz WYAUOPYKTNGBOL-UONOGXRCSA-N 1 0 383.470 1.362 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCCO1 ZINC000424026184 646154468 /nfs/dbraw/zinc/15/44/68/646154468.db2.gz UGSPSPPXPKYLSY-GJZGRUSLSA-N 1 0 383.901 1.431 20 0 GDADRO C[NH2+]CCCN(C)C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000424034914 646155330 /nfs/dbraw/zinc/15/53/30/646155330.db2.gz RKNWRIAICJHUQD-UHFFFAOYSA-N 1 0 381.274 1.617 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000424066605 646159137 /nfs/dbraw/zinc/15/91/37/646159137.db2.gz YSTZWMZVCIEUFK-UHFFFAOYSA-N 1 0 382.313 1.905 20 0 GDADRO CN1C(=O)CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1=O ZINC000424197459 646161985 /nfs/dbraw/zinc/16/19/85/646161985.db2.gz BSQYMTKSHJWBGO-AWEZNQCLSA-N 1 0 377.242 1.872 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000437988573 646216193 /nfs/dbraw/zinc/21/61/93/646216193.db2.gz BBNRDPCBPQUKSS-UHFFFAOYSA-N 1 0 384.458 1.846 20 0 GDADRO CNC(=O)[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000439436178 646231452 /nfs/dbraw/zinc/23/14/52/646231452.db2.gz HRMXBUCSEAZXJB-OCCSQVGLSA-N 1 0 377.254 1.688 20 0 GDADRO NC(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439438957 646232257 /nfs/dbraw/zinc/23/22/57/646232257.db2.gz NARKWJVMRJLDNH-SMDDNHRTSA-N 1 0 389.265 1.915 20 0 GDADRO NC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439453660 646234391 /nfs/dbraw/zinc/23/43/91/646234391.db2.gz QFRHUTLZSBDAED-NEPJUHHUSA-N 1 0 376.226 1.071 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000440445088 646243366 /nfs/dbraw/zinc/24/33/66/646243366.db2.gz QWJBZVOUDWAHJJ-BXUZGUMPSA-N 1 0 384.889 1.892 20 0 GDADRO O=S(=O)(NCCN1CC[NH2+]CC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000440741741 646254006 /nfs/dbraw/zinc/25/40/06/646254006.db2.gz REFXHKFCQAMXKA-UHFFFAOYSA-N 1 0 387.933 1.702 20 0 GDADRO COCCn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cn1 ZINC000441338078 646254114 /nfs/dbraw/zinc/25/41/14/646254114.db2.gz FFEXXBQKMFPMSY-UHFFFAOYSA-N 1 0 390.868 1.390 20 0 GDADRO CN(CC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000441369254 646255304 /nfs/dbraw/zinc/25/53/04/646255304.db2.gz MRHHWQMARPIDFC-UHFFFAOYSA-N 1 0 380.367 1.978 20 0 GDADRO CC(C)C[C@H](NS(=O)(=O)CC1(F)CCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000917117386 660206515 /nfs/dbraw/zinc/20/65/15/660206515.db2.gz UYGNNMBZYVQWIE-GJZGRUSLSA-N 1 0 377.526 1.375 20 0 GDADRO CSC[C@H](C)C(=O)N1CCC(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)CC1 ZINC000442633119 646277757 /nfs/dbraw/zinc/27/77/57/646277757.db2.gz BSOLKWOSUUKXRG-NUEKZKHPSA-N 1 0 387.615 1.728 20 0 GDADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000917654946 660218631 /nfs/dbraw/zinc/21/86/31/660218631.db2.gz KCOOTOVGGZZCJC-HNNXBMFYSA-N 1 0 375.535 1.359 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000917904219 660224384 /nfs/dbraw/zinc/22/43/84/660224384.db2.gz VFKNKNOSHAVGRC-UHFFFAOYSA-N 1 0 378.325 1.861 20 0 GDADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000918359719 660234438 /nfs/dbraw/zinc/23/44/38/660234438.db2.gz HSSFRWIMJHPZTL-XBFCOCLRSA-N 1 0 386.436 1.474 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(Br)c1 ZINC000918945864 660243225 /nfs/dbraw/zinc/24/32/25/660243225.db2.gz FELZXWIJCCNLKW-OAHLLOKOSA-N 1 0 391.331 1.835 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000918964340 660244270 /nfs/dbraw/zinc/24/42/70/660244270.db2.gz ZQWLYODEYRESOH-HNNXBMFYSA-N 1 0 382.404 1.504 20 0 GDADRO Cc1nccn1-c1ncccc1CNC(=O)Cn1cc(Br)cn1 ZINC000919696316 660256735 /nfs/dbraw/zinc/25/67/35/660256735.db2.gz DILBFWPEHLSXGB-UHFFFAOYSA-N 1 0 375.230 1.851 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1cnccc1C(F)(F)F ZINC000442746942 647161329 /nfs/dbraw/zinc/16/13/29/647161329.db2.gz VBOPGTUYSLHKGY-GFCCVEGCSA-N 1 0 381.420 1.616 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCCC2)c(C(=O)OC)s1 ZINC000443094259 647179774 /nfs/dbraw/zinc/17/97/74/647179774.db2.gz NUBPZJBEBOMOEZ-UHFFFAOYSA-N 1 0 390.483 1.086 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000443098307 647180948 /nfs/dbraw/zinc/18/09/48/647180948.db2.gz ZIXOQQFVFHBIOY-UHFFFAOYSA-N 1 0 375.535 1.362 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000443108105 647181982 /nfs/dbraw/zinc/18/19/82/647181982.db2.gz LZNWGAPXEFKICG-RYUDHWBXSA-N 1 0 375.516 1.576 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)o1 ZINC000445744376 647273278 /nfs/dbraw/zinc/27/32/78/647273278.db2.gz SLGMAANKAUSJEG-JSGCOSHPSA-N 1 0 388.511 1.657 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc3c(c2)N(C)CC3)C[C@@H]1[NH+]1CCCC1 ZINC000445745808 647273739 /nfs/dbraw/zinc/27/37/39/647273739.db2.gz ZAILUHDHPKUOSB-ROUUACIJSA-N 1 0 381.567 1.879 20 0 GDADRO COCCN(C(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000445896127 647275338 /nfs/dbraw/zinc/27/53/38/647275338.db2.gz XUFVEFSUOZKAOR-CHWSQXEVSA-N 1 0 388.452 1.215 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000446038100 647277923 /nfs/dbraw/zinc/27/79/23/647277923.db2.gz TVPGXNQNYKTKRD-ZDUSSCGKSA-N 1 0 386.290 1.661 20 0 GDADRO O=C(Cc1cc[nH]c(=O)c1Br)NCCCC[N@H+]1CCC[C@H]1CO ZINC000446227035 647282683 /nfs/dbraw/zinc/28/26/83/647282683.db2.gz OBPYZCJVAHBJLQ-ZDUSSCGKSA-N 1 0 386.290 1.445 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000446314710 647284334 /nfs/dbraw/zinc/28/43/34/647284334.db2.gz FLFNCUNQNKHHTO-ZDUSSCGKSA-N 1 0 396.285 1.448 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000452094953 647314660 /nfs/dbraw/zinc/31/46/60/647314660.db2.gz JTROZUVNECTZBE-AWEZNQCLSA-N 1 0 389.543 1.040 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452397458 647322971 /nfs/dbraw/zinc/32/29/71/647322971.db2.gz ZVJVHXGWVOAETJ-CYBMUJFWSA-N 1 0 388.295 1.686 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000453814199 647339225 /nfs/dbraw/zinc/33/92/25/647339225.db2.gz FFQBIJSEVGZGBN-ZDUSSCGKSA-N 1 0 399.289 1.054 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)NCc1nn(C)cc1I ZINC000454639727 647358993 /nfs/dbraw/zinc/35/89/93/647358993.db2.gz AIWVTIKSUKREDZ-UHFFFAOYSA-N 1 0 393.273 1.556 20 0 GDADRO C[C@@H](CNC(=O)NCCOc1ccc(I)cc1)[NH+](C)C ZINC000454926391 647364506 /nfs/dbraw/zinc/36/45/06/647364506.db2.gz PQEYLSDSSIQVQG-NSHDSACASA-N 1 0 391.253 1.919 20 0 GDADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1nn(C)cc1I ZINC000454974280 647367027 /nfs/dbraw/zinc/36/70/27/647367027.db2.gz OKLOSGASQYUQOS-SNVBAGLBSA-N 1 0 393.273 1.553 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2cccc(Br)c2)CC1=O ZINC000457843647 647425953 /nfs/dbraw/zinc/42/59/53/647425953.db2.gz BPTMTBIALXXVIU-AWEZNQCLSA-N 1 0 382.302 1.518 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000458177470 647436554 /nfs/dbraw/zinc/43/65/54/647436554.db2.gz YDLSCAGNSUTDPO-UHFFFAOYSA-N 1 0 385.306 1.818 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)s1 ZINC000458736564 647451401 /nfs/dbraw/zinc/45/14/01/647451401.db2.gz JTGXKTOPUPJZJU-BETUJISGSA-N 1 0 389.543 1.138 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)NCC2CCC(S(C)(=O)=O)CC2)CCSC1 ZINC000921311636 660286225 /nfs/dbraw/zinc/28/62/25/660286225.db2.gz XRXVQFRVJNIBQP-ZBCRRDGASA-N 1 0 377.576 1.326 20 0 GDADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@H](O)[C@H](CO)C3)C2=O)ccc1Br ZINC000459683278 647463293 /nfs/dbraw/zinc/46/32/93/647463293.db2.gz SQGYRBGQEQKCHN-RCBQFDQVSA-N 1 0 383.286 1.538 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461266690 647487267 /nfs/dbraw/zinc/48/72/67/647487267.db2.gz XEWGHZLEMHJQOW-CABCVRRESA-N 1 0 379.592 1.380 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461417065 647493188 /nfs/dbraw/zinc/49/31/88/647493188.db2.gz GPDLFFLWJLZKPR-HZPDHXFCSA-N 1 0 391.603 1.382 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)CCc1ccccc1Br ZINC000462057086 647505040 /nfs/dbraw/zinc/50/50/40/647505040.db2.gz MDHXJCSPNVAKCW-UHFFFAOYSA-N 1 0 379.320 1.489 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)CC)C1 ZINC000464550968 647583988 /nfs/dbraw/zinc/58/39/88/647583988.db2.gz QPKHXNKHCXEWRZ-HUUCEWRRSA-N 1 0 379.592 1.238 20 0 GDADRO C[C@H](COCC1CCCCC1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000921449668 660301267 /nfs/dbraw/zinc/30/12/67/660301267.db2.gz KVFOYMBKVVRYND-QGZVFWFLSA-N 1 0 375.579 1.529 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ccc(C(F)(F)F)s1 ZINC000467519082 647646245 /nfs/dbraw/zinc/64/62/45/647646245.db2.gz OZRLOIBIRYZWII-UHFFFAOYSA-N 1 0 379.448 1.989 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1Cl ZINC000467592241 647647470 /nfs/dbraw/zinc/64/74/70/647647470.db2.gz VXLJJWGQZIZUOA-MRXNPFEDSA-N 1 0 392.283 1.759 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000468349220 647662597 /nfs/dbraw/zinc/66/25/97/647662597.db2.gz DVLALUMYQUBSHB-UHFFFAOYSA-N 1 0 390.937 1.602 20 0 GDADRO CN(c1ccc(Br)cc1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000921504310 660306246 /nfs/dbraw/zinc/30/62/46/660306246.db2.gz BMNZRXHGAPHYDJ-UHFFFAOYSA-N 1 0 390.347 1.853 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000468982664 647688809 /nfs/dbraw/zinc/68/88/09/647688809.db2.gz NRCOSMGPCQBKHE-CYBMUJFWSA-N 1 0 389.543 1.404 20 0 GDADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000469773524 647715843 /nfs/dbraw/zinc/71/58/43/647715843.db2.gz ZJNLQMVZMHIJFT-HOTGVXAUSA-N 1 0 393.619 1.817 20 0 GDADRO CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000469987704 647718557 /nfs/dbraw/zinc/71/85/57/647718557.db2.gz URYLANXQJBYYCO-OAGGEKHMSA-N 1 0 375.579 1.967 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)c1cccc(I)c1 ZINC000471630063 647749521 /nfs/dbraw/zinc/74/95/21/647749521.db2.gz WKZIVYUTASIMHZ-UHFFFAOYSA-N 1 0 398.266 1.148 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)c1ccsc1 ZINC000476932667 647789626 /nfs/dbraw/zinc/78/96/26/647789626.db2.gz QFWQNIFXRTZQCE-GJZGRUSLSA-N 1 0 375.560 1.821 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)c1cc(F)ccc1Br)C[NH+](C)C ZINC000921640318 660318416 /nfs/dbraw/zinc/31/84/16/660318416.db2.gz FALXKZOIFYYGRW-NSHDSACASA-N 1 0 383.283 1.833 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000477185124 647797699 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390.914 1.839 20 0 GDADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(I)cc1F ZINC000572663844 651101886 /nfs/dbraw/zinc/10/18/86/651101886.db2.gz XYMUFRDUACSYHW-UHFFFAOYSA-N 1 0 393.200 1.437 20 0 GDADRO COc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000572761674 651105251 /nfs/dbraw/zinc/10/52/51/651105251.db2.gz APEHMGKRPVHARF-NSHDSACASA-N 1 0 385.230 1.733 20 0 GDADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC ZINC000573142802 651468886 /nfs/dbraw/zinc/46/88/86/651468886.db2.gz MHUUUCNXGRXVDL-CVEARBPZSA-N 1 0 376.519 1.091 20 0 GDADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC ZINC000573142803 651469029 /nfs/dbraw/zinc/46/90/29/651469029.db2.gz MHUUUCNXGRXVDL-HOTGVXAUSA-N 1 0 376.519 1.091 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1[nH]nc(-c2ccccc2)c1Br ZINC000573195926 651470798 /nfs/dbraw/zinc/47/07/98/651470798.db2.gz LACBMOTWVZXYBE-LBPRGKRZSA-N 1 0 379.258 1.948 20 0 GDADRO COc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000573198531 651471194 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NS(=O)(=O)c1cc(Br)cnc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000574230980 651525197 /nfs/dbraw/zinc/52/51/97/651525197.db2.gz XOCGRTZUOLFGTC-GFCCVEGCSA-N 1 0 389.319 1.920 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000574279290 651528169 /nfs/dbraw/zinc/52/81/69/651528169.db2.gz VBSISLGYQSTTKZ-ZJUUUORDSA-N 1 0 380.297 1.528 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000574432170 651542152 /nfs/dbraw/zinc/54/21/52/651542152.db2.gz HYZUHBRJQOBLLS-CQSZACIVSA-N 1 0 377.457 1.691 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000574441257 651542262 /nfs/dbraw/zinc/54/22/62/651542262.db2.gz FBWORCFCOFWECR-UHFFFAOYSA-N 1 0 385.921 1.990 20 0 GDADRO CN1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)[C@@H](C[NH3+])C1 ZINC000574620374 651553426 /nfs/dbraw/zinc/55/34/26/651553426.db2.gz DVHSXDKBFZNZPG-ZDUSSCGKSA-N 1 0 393.289 1.741 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C)c1 ZINC000574679450 651559440 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GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)C2)s1 ZINC000577830917 651756189 /nfs/dbraw/zinc/75/61/89/651756189.db2.gz VKHDJYWIFXLYHR-AEGPPILISA-N 1 0 385.555 1.795 20 0 GDADRO O=C(COC1C[NH2+]C1)N(CCn1ccnc1)Cc1ccccc1Br ZINC000578529751 651798395 /nfs/dbraw/zinc/79/83/95/651798395.db2.gz FQDQUNPWOFBHMQ-UHFFFAOYSA-N 1 0 393.285 1.663 20 0 GDADRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000578642432 651803499 /nfs/dbraw/zinc/80/34/99/651803499.db2.gz GREDDAWWMOISGE-ZKYQVNSYSA-N 1 0 378.288 1.212 20 0 GDADRO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)Nc1ccc(Br)cn1 ZINC000578835231 651818203 /nfs/dbraw/zinc/81/82/03/651818203.db2.gz GHWIGYYWTUWDGA-IACUBPJLSA-N 1 0 384.274 1.644 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2ncccc2Br)(N2CCOCC2)CC1 ZINC000578975018 651829060 /nfs/dbraw/zinc/82/90/60/651829060.db2.gz YGVIBNMVPBBBOR-UHFFFAOYSA-N 1 0 397.317 1.371 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000579008947 651832717 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379.262 1.495 20 0 GDADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000623618066 653007185 /nfs/dbraw/zinc/00/71/85/653007185.db2.gz BEXJHRBDNWPTIJ-AWEZNQCLSA-N 1 0 398.301 1.650 20 0 GDADRO COc1cc(C(F)(F)F)nc(Sc2nnnn2C[C@@H]2CC[N@H+](C)C2)n1 ZINC000624047006 653009438 /nfs/dbraw/zinc/00/94/38/653009438.db2.gz SFZSBBHFNWENET-MRVPVSSYSA-N 1 0 375.380 1.593 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000624133261 653010151 /nfs/dbraw/zinc/01/01/51/653010151.db2.gz KAMKMKJOJYVIIQ-UHFFFAOYSA-N 1 0 383.246 1.463 20 0 GDADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)c1nc(N)[nH+]c(N)n1 ZINC000624149407 653010568 /nfs/dbraw/zinc/01/05/68/653010568.db2.gz FWMUCNUAWXCOOR-UHFFFAOYSA-N 1 0 397.277 1.245 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)CC[C@@H]1C(F)(F)F ZINC000624392357 653012038 /nfs/dbraw/zinc/01/20/38/653012038.db2.gz PLAFEZZQWZAIGD-RISCZKNCSA-N 1 0 376.400 1.963 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000624392504 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CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cscc2Br)CC1 ZINC000632254045 653324171 /nfs/dbraw/zinc/32/41/71/653324171.db2.gz IJHICRKCFINIHK-NSHDSACASA-N 1 0 396.376 1.815 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000632254831 653324232 /nfs/dbraw/zinc/32/42/32/653324232.db2.gz ZXMXZZXSCLGSPY-LBPRGKRZSA-N 1 0 384.527 1.306 20 0 GDADRO COC[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000632341254 653341467 /nfs/dbraw/zinc/34/14/67/653341467.db2.gz CXYJVKPREQKZMJ-QGZVFWFLSA-N 1 0 389.949 1.584 20 0 GDADRO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)[C@H](C)C1 ZINC000632450143 653359818 /nfs/dbraw/zinc/35/98/18/653359818.db2.gz UKTKNZOIEPMFJR-GFCCVEGCSA-N 1 0 389.905 1.309 20 0 GDADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000632658925 653394710 /nfs/dbraw/zinc/39/47/10/653394710.db2.gz NRCXZPDWZBWJCE-UHFFFAOYSA-N 1 0 388.555 1.975 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000632680056 653399075 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398.301 1.228 20 0 GDADRO COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638805415 653543938 /nfs/dbraw/zinc/54/39/38/653543938.db2.gz IFAGCOWOVQECTO-AWEZNQCLSA-N 1 0 398.305 1.759 20 0 GDADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638827232 653544214 /nfs/dbraw/zinc/54/42/14/653544214.db2.gz CPFOBUCZIDMPEW-DZGCQCFKSA-N 1 0 377.268 1.570 20 0 GDADRO [NH3+][C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000639029134 653544828 /nfs/dbraw/zinc/54/48/28/653544828.db2.gz XFCRQWONYPFOCC-HAQNSBGRSA-N 1 0 382.258 1.561 20 0 GDADRO O=S(=O)(c1ccc2c(c1)OCCO2)N1CC([NH2+]CC2CCSCC2)C1 ZINC000639063424 653545534 /nfs/dbraw/zinc/54/55/34/653545534.db2.gz FHYDZLSYTSDFHF-UHFFFAOYSA-N 1 0 384.523 1.564 20 0 GDADRO C[C@@H]1CN(Cc2cnn3cc(Br)cnc23)CC[N@@H+]1CC(C)(C)O ZINC000639086675 653545946 /nfs/dbraw/zinc/54/59/46/653545946.db2.gz RJKMKKPIUAJCDY-GFCCVEGCSA-N 1 0 382.306 1.769 20 0 GDADRO CO[C@@H](C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CCOCC1 ZINC000639135270 653547184 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CN(CCC[NH3+])Cc1cn(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000641203479 653562971 /nfs/dbraw/zinc/56/29/71/653562971.db2.gz AFZQKHPDHKFBOV-CYBMUJFWSA-N 1 0 388.299 1.805 20 0 GDADRO CC(C)C[C@H](NS(=O)(=O)CCC(F)(F)F)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000641600579 653572586 /nfs/dbraw/zinc/57/25/86/653572586.db2.gz NZVQBLFCVOYLSN-STQMWFEESA-N 1 0 387.468 1.435 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccoc1Br ZINC000641669028 653574982 /nfs/dbraw/zinc/57/49/82/653574982.db2.gz GKCWUQUWBYMBGX-ZDUSSCGKSA-N 1 0 386.290 1.569 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1Br ZINC000642091688 653576861 /nfs/dbraw/zinc/57/68/61/653576861.db2.gz QRGJGEFLFPSYPN-SLEUVZQESA-N 1 0 380.286 1.837 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642105609 653577082 /nfs/dbraw/zinc/57/70/82/653577082.db2.gz SAFJRXWJFQDVQP-XNRPHZJLSA-N 1 0 394.313 1.707 20 0 GDADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642351408 653578195 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GDADRO CN(CCC[NH3+])C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000644066222 653595205 /nfs/dbraw/zinc/59/52/05/653595205.db2.gz LYPYNUJFWIJBKE-UHFFFAOYSA-N 1 0 375.441 1.173 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c(Br)c1 ZINC000644302702 653597467 /nfs/dbraw/zinc/59/74/67/653597467.db2.gz SFRKYPWFDUAIPK-GXFFZTMASA-N 1 0 375.288 1.782 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c(Br)c1 ZINC000644302708 653597472 /nfs/dbraw/zinc/59/74/72/653597472.db2.gz SFRKYPWFDUAIPK-ZWNOBZJWSA-N 1 0 375.288 1.782 20 0 GDADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)s2)c1 ZINC000644513045 653599039 /nfs/dbraw/zinc/59/90/39/653599039.db2.gz CPUQKQMIDJOYPV-ZDUSSCGKSA-N 1 0 384.479 1.128 20 0 GDADRO O=C(CC[NH2+]CCCN1C(=O)CNC1=O)Nc1ccc(Br)cc1 ZINC000644555408 653599251 /nfs/dbraw/zinc/59/92/51/653599251.db2.gz HQZWVSLHBBXRKQ-UHFFFAOYSA-N 1 0 383.246 1.309 20 0 GDADRO CCNC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000644595619 653599515 /nfs/dbraw/zinc/59/95/15/653599515.db2.gz URCCHTKVWORSRH-ZIAGYGMSSA-N 1 0 386.290 1.582 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000644627060 653599682 /nfs/dbraw/zinc/59/96/82/653599682.db2.gz FXIMTSPWWJKOOI-NSHDSACASA-N 1 0 383.297 1.214 20 0 GDADRO Cc1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c(-n2cc(Cl)cn2)n1 ZINC000644630712 653599749 /nfs/dbraw/zinc/59/97/49/653599749.db2.gz YKLKLUNNMMFSKQ-UHFFFAOYSA-N 1 0 384.889 1.258 20 0 GDADRO COc1ncc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000644636150 653599828 /nfs/dbraw/zinc/59/98/28/653599828.db2.gz YAIRWEAEQQGSGT-CYBMUJFWSA-N 1 0 397.317 1.751 20 0 GDADRO O=c1ccc(Br)cn1CC[NH2+]C[C@H](O)COCc1ccccc1 ZINC000644656604 653599962 /nfs/dbraw/zinc/59/99/62/653599962.db2.gz ZMKDAAADMQLQLJ-INIZCTEOSA-N 1 0 381.270 1.778 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cn1cncn1 ZINC000644834661 653600597 /nfs/dbraw/zinc/60/05/97/653600597.db2.gz LDIOBNLUPXITHN-UHFFFAOYSA-N 1 0 381.278 1.677 20 0 GDADRO CO[C@H](CS(=O)(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)C(C)C ZINC000645505278 653603326 /nfs/dbraw/zinc/60/33/26/653603326.db2.gz HEDFUXGDNIGNLF-KZNAEPCWSA-N 1 0 375.579 1.478 20 0 GDADRO CCCN(C(=O)NCCn1cc(Br)ccc1=O)[C@H]1CC[N@H+](C)C1 ZINC000645523531 653603680 /nfs/dbraw/zinc/60/36/80/653603680.db2.gz HKZJDEGBFNPXCY-AWEZNQCLSA-N 1 0 385.306 1.737 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000645624624 653604900 /nfs/dbraw/zinc/60/49/00/653604900.db2.gz RRGZJAMWHPPJDU-DGCLKSJQSA-N 1 0 396.285 1.867 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1F ZINC000645623015 653604963 /nfs/dbraw/zinc/60/49/63/653604963.db2.gz OQRHBVRXMYYQQL-GXFFZTMASA-N 1 0 384.249 1.998 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000645627588 653605062 /nfs/dbraw/zinc/60/50/62/653605062.db2.gz WMDMEBJATPSGIH-UFBFGSQYSA-N 1 0 388.212 1.828 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000645834249 653607188 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GDADRO C[C@H]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)[C@H]1C[NH3+] ZINC000646772674 653613488 /nfs/dbraw/zinc/61/34/88/653613488.db2.gz UBCNTWJHSUSVAY-ZANVPECISA-N 1 0 382.258 1.979 20 0 GDADRO CCC[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)S(N)(=O)=O ZINC000646783526 653613564 /nfs/dbraw/zinc/61/35/64/653613564.db2.gz PRLZIELSYMYKEJ-INIZCTEOSA-N 1 0 385.555 1.674 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(c4cccc(Br)c4)C3=O)[C@@H]2C1 ZINC000646916830 653616667 /nfs/dbraw/zinc/61/66/67/653616667.db2.gz RVGZJICVZXKTOY-APHBMKBZSA-N 1 0 392.297 1.965 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)CN3C(=O)c4ccc(Br)cc4C3=O)[C@H]2C1 ZINC000646928542 653616790 /nfs/dbraw/zinc/61/67/90/653616790.db2.gz ZVQIPAZOFQYJGR-YGRLFVJLSA-N 1 0 392.253 1.208 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000647021906 653618972 /nfs/dbraw/zinc/61/89/72/653618972.db2.gz KUZULLQJNOMKAE-GFCCVEGCSA-N 1 0 387.297 1.169 20 0 GDADRO CCCN(C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1)[C@H]1CC[N@H+](C)C1 ZINC000647057949 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389.905 1.926 20 0 GDADRO O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647308091 653625895 /nfs/dbraw/zinc/62/58/95/653625895.db2.gz KBFWPRBXAVLQER-CHWSQXEVSA-N 1 0 380.436 1.846 20 0 GDADRO OC[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647535416 653628450 /nfs/dbraw/zinc/62/84/50/653628450.db2.gz KXNIFCOTRRXZAI-OLZOCXBDSA-N 1 0 379.284 1.016 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2Br)[C@@H](C)C[NH2+]1 ZINC000647596850 653629864 /nfs/dbraw/zinc/62/98/64/653629864.db2.gz UUDOTLGUKHZZIV-UWVGGRQHSA-N 1 0 388.693 1.928 20 0 GDADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647706840 653633359 /nfs/dbraw/zinc/63/33/59/653633359.db2.gz RHRRODMDTGBXHC-NEPJUHHUSA-N 1 0 379.258 1.607 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)CCCOc1ccccc1Br ZINC000647775373 653634018 /nfs/dbraw/zinc/63/40/18/653634018.db2.gz MNLKBKVJEYIMDD-UHFFFAOYSA-N 1 0 384.318 1.972 20 0 GDADRO Cc1ccc(O[C@H](C)C(=O)N(C)CCN2CC[NH2+]CC2)c(Br)c1 ZINC000647775246 653634027 /nfs/dbraw/zinc/63/40/27/653634027.db2.gz HISCVXGPQDYIBU-CQSZACIVSA-N 1 0 384.318 1.888 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000647790732 653634436 /nfs/dbraw/zinc/63/44/36/653634436.db2.gz IDEBGYMHDBYCRL-DZGCQCFKSA-N 1 0 398.301 1.792 20 0 GDADRO C[C@H]1CCCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)[C@H]1C[NH3+] ZINC000647819627 653635264 /nfs/dbraw/zinc/63/52/64/653635264.db2.gz NAAXGGGWMAENTR-FZMZJTMJSA-N 1 0 389.315 1.809 20 0 GDADRO CN(CCC[NH3+])C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000647830615 653635478 /nfs/dbraw/zinc/63/54/78/653635478.db2.gz WPAHXLQESJPAIN-UHFFFAOYSA-N 1 0 387.811 1.444 20 0 GDADRO Brc1c[nH+]c(NC[C@H]2CNc3ccnn3C2)cc1N1CCOCC1 ZINC000648042132 653637670 /nfs/dbraw/zinc/63/76/70/653637670.db2.gz QIOUANWLUAPFMS-LBPRGKRZSA-N 1 0 393.289 2.031 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648034222 653637686 /nfs/dbraw/zinc/63/76/86/653637686.db2.gz LVSMTATWUHKUJZ-CYBMUJFWSA-N 1 0 383.905 1.455 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2c(F)cc(Br)cc2C1 ZINC000648101968 653638636 /nfs/dbraw/zinc/63/86/36/653638636.db2.gz MDDGGNRKZLNZIL-HNNXBMFYSA-N 1 0 398.276 1.731 20 0 GDADRO CC[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC[C@H]1[NH3+] ZINC000648125884 653639537 /nfs/dbraw/zinc/63/95/37/653639537.db2.gz WDHIFQUVEQCQFP-UKRRQHHQSA-N 1 0 385.555 1.661 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648211099 653641284 /nfs/dbraw/zinc/64/12/84/653641284.db2.gz JBKMKNVXSDVMPC-HNNXBMFYSA-N 1 0 385.917 1.799 20 0 GDADRO C[C@@H](CNC(=O)c1c2ccc(Br)cc2nn1C)N1CC[NH+](C)CC1 ZINC000648782772 653655451 /nfs/dbraw/zinc/65/54/51/653655451.db2.gz AYDKCUAXUMGGLO-LBPRGKRZSA-N 1 0 394.317 1.702 20 0 GDADRO COc1ccc(Br)cc1C1(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000648957790 653661546 /nfs/dbraw/zinc/66/15/46/653661546.db2.gz MLIFIVBXQDFYFM-HNNXBMFYSA-N 1 0 394.313 1.953 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)cnc1N(C)C ZINC000649075297 653663942 /nfs/dbraw/zinc/66/39/42/653663942.db2.gz AGAQJRXSBUNVDF-LLVKDONJSA-N 1 0 398.305 1.102 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000649422327 653667257 /nfs/dbraw/zinc/66/72/57/653667257.db2.gz NKUQETBVRCNLCV-UHFFFAOYSA-N 1 0 385.383 1.250 20 0 GDADRO C[NH+](C)CCN1CCN(Cc2nc3ccc(Br)cc3o2)CC1=O ZINC000649685033 653671787 /nfs/dbraw/zinc/67/17/87/653671787.db2.gz LPPYYTDGWPEPCX-UHFFFAOYSA-N 1 0 381.274 1.796 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)C[C@@H]3CCCCC3(F)F)CC2)C1 ZINC000649766206 653673955 /nfs/dbraw/zinc/67/39/55/653673955.db2.gz HHIVWTILHIRHOO-HOTGVXAUSA-N 1 0 379.517 1.854 20 0 GDADRO COc1ccc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1Br ZINC000650037303 653682393 /nfs/dbraw/zinc/68/23/93/653682393.db2.gz IMQOGZUIEFCLRP-UHFFFAOYSA-N 1 0 399.289 1.695 20 0 GDADRO Cc1cc(Br)cc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000650136864 653684582 /nfs/dbraw/zinc/68/45/82/653684582.db2.gz NHRMSMFREWKCJB-UHFFFAOYSA-N 1 0 383.290 1.995 20 0 GDADRO C[C@@H]1[C@H](O)CC[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000650186914 653686424 /nfs/dbraw/zinc/68/64/24/653686424.db2.gz GYVZYBFDKIZWAM-IAQYHMDHSA-N 1 0 389.905 1.374 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650301253 653690458 /nfs/dbraw/zinc/69/04/58/653690458.db2.gz IYMKUISVKWUSCM-ZDUSSCGKSA-N 1 0 398.301 1.449 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)CCc2cc(Br)cs2)CC1=O ZINC000650305419 653690806 /nfs/dbraw/zinc/69/08/06/653690806.db2.gz VEVOPYMAKPEUKJ-UHFFFAOYSA-N 1 0 388.331 1.676 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)Cc2cc(Br)ccc2F)CC1=O ZINC000650306278 653690988 /nfs/dbraw/zinc/69/09/88/653690988.db2.gz FDMCISITYAVXPT-UHFFFAOYSA-N 1 0 386.265 1.363 20 0 GDADRO Cc1ccc(CC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1Br ZINC000650307824 653691298 /nfs/dbraw/zinc/69/12/98/653691298.db2.gz QGXZDAIVYOQERP-UHFFFAOYSA-N 1 0 382.302 1.532 20 0 GDADRO C[C@@H](CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)S(N)(=O)=O ZINC000650415767 653693488 /nfs/dbraw/zinc/69/34/88/653693488.db2.gz DDYYFYLKDOPBDF-ZDUSSCGKSA-N 1 0 386.543 1.673 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1=O ZINC000651793904 653857027 /nfs/dbraw/zinc/85/70/27/653857027.db2.gz RNTMBSAMRNERSW-UHFFFAOYSA-N 1 0 385.452 1.143 20 0 GDADRO CC[N@H+](CCCNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C1CCCCC1 ZINC000651803680 653858267 /nfs/dbraw/zinc/85/82/67/653858267.db2.gz FAOFDJBCHBYYOH-MRXNPFEDSA-N 1 0 394.603 1.775 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC[NH+]1CCCCC1 ZINC000651926210 653872039 /nfs/dbraw/zinc/87/20/39/653872039.db2.gz JPDCSRFEZCWHPW-UHFFFAOYSA-N 1 0 389.543 1.043 20 0 GDADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000652137490 653882618 /nfs/dbraw/zinc/88/26/18/653882618.db2.gz NJNPRZHBUZJNBX-GUYCJALGSA-N 1 0 385.917 1.884 20 0 GDADRO O=S(=O)(c1ccc2c(c1)CS(=O)(=O)C2)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000652371980 653889118 /nfs/dbraw/zinc/88/91/18/653889118.db2.gz MGOXYPUHRKBNKE-CXAGYDPISA-N 1 0 384.523 1.268 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)Oc1cccc(Br)c1 ZINC000652686809 653896623 /nfs/dbraw/zinc/89/66/23/653896623.db2.gz PDKGTMFMOMHPQI-LBPRGKRZSA-N 1 0 398.301 1.578 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NCCC1(C[NH3+])CC1)CC2 ZINC000652714531 653897053 /nfs/dbraw/zinc/89/70/53/653897053.db2.gz MNXMQTUZSAKGOM-UHFFFAOYSA-N 1 0 394.313 1.887 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000653083642 653905628 /nfs/dbraw/zinc/90/56/28/653905628.db2.gz DGZNBGJKWBHFKL-LLVKDONJSA-N 1 0 380.233 1.946 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653098091 653906285 /nfs/dbraw/zinc/90/62/85/653906285.db2.gz BGBXWVZDBNOHGG-AEGPPILISA-N 1 0 383.286 1.836 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000653105770 653906572 /nfs/dbraw/zinc/90/65/72/653906572.db2.gz JAQLDIKWMDSCQS-CYBMUJFWSA-N 1 0 385.306 1.503 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000653105771 653906592 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GDADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842709588 655372668 /nfs/dbraw/zinc/37/26/68/655372668.db2.gz ANZGJDKPKYKERT-LLVKDONJSA-N 1 0 382.454 1.446 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000842719998 655373408 /nfs/dbraw/zinc/37/34/08/655373408.db2.gz PPRUPIITVWAZJO-JOYOIKCWSA-N 1 0 386.417 1.338 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N(C)CCC[NH3+])c1 ZINC000842727038 655373967 /nfs/dbraw/zinc/37/39/67/655373967.db2.gz ATWHCBZJRGSSJQ-UHFFFAOYSA-N 1 0 397.950 1.340 20 0 GDADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842737223 655374488 /nfs/dbraw/zinc/37/44/88/655374488.db2.gz KSMARVNSEMIHCD-UHFFFAOYSA-N 1 0 388.433 1.586 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])ccc1Br ZINC000842737234 655374496 /nfs/dbraw/zinc/37/44/96/655374496.db2.gz KWYYRHNTSOWDFX-UHFFFAOYSA-N 1 0 393.303 1.841 20 0 GDADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000842744834 655374924 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COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000842833381 655380305 /nfs/dbraw/zinc/38/03/05/655380305.db2.gz KPTPWKHYLDYUFC-KWQFWETISA-N 1 0 381.267 1.873 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])s1 ZINC000842859492 655381400 /nfs/dbraw/zinc/38/14/00/655381400.db2.gz IRSGWLWGABMPNR-LBPRGKRZSA-N 1 0 375.516 1.539 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)s1 ZINC000842872891 655381945 /nfs/dbraw/zinc/38/19/45/655381945.db2.gz SATNSNVYXOOJDB-AOOOYVTPSA-N 1 0 398.959 1.425 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000818946049 655382010 /nfs/dbraw/zinc/38/20/10/655382010.db2.gz DDVCCZHGRRDQLS-OAHLLOKOSA-N 1 0 391.331 1.886 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c(Br)cc1Cl ZINC000842882172 655382493 /nfs/dbraw/zinc/38/24/93/655382493.db2.gz OZFDBILQRCNHGI-RQJHMYQMSA-N 1 0 399.694 1.903 20 0 GDADRO CS(=O)(=O)CCCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000819019459 655383327 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Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](O)c3cccc(Br)c3)C2=O)n(C)n1 ZINC000819119888 655386442 /nfs/dbraw/zinc/38/64/42/655386442.db2.gz FYFODNGQKQDVOE-HUUCEWRRSA-N 1 0 393.285 1.920 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCN1C1CCOCC1 ZINC000819129724 655386714 /nfs/dbraw/zinc/38/67/14/655386714.db2.gz NQEOVDDLJBTOLO-HZPDHXFCSA-N 1 0 383.286 1.852 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cnc(Cl)c1Br ZINC000843049234 655387291 /nfs/dbraw/zinc/38/72/91/655387291.db2.gz HWYRUYMJCXFTLI-RNFRBKRXSA-N 1 0 377.670 1.986 20 0 GDADRO COc1ccc(OC)c([C@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000819182957 655387697 /nfs/dbraw/zinc/38/76/97/655387697.db2.gz JVGCGISENHPYDE-CQSZACIVSA-N 1 0 386.495 1.367 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000819189203 655387939 /nfs/dbraw/zinc/38/79/39/655387939.db2.gz FCSSMGLRNBATFN-OCCSQVGLSA-N 1 0 382.404 1.632 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819187231 655387951 /nfs/dbraw/zinc/38/79/51/655387951.db2.gz DWVLSDQAXXYSBG-SMDDNHRTSA-N 1 0 377.304 1.354 20 0 GDADRO C[C@@H]1[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C ZINC000819243694 655388535 /nfs/dbraw/zinc/38/85/35/655388535.db2.gz CCSBICWHKDXZGY-ZIAGYGMSSA-N 1 0 376.519 1.304 20 0 GDADRO C[C@@](O)(C[NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000819247395 655388663 /nfs/dbraw/zinc/38/86/63/655388663.db2.gz BXSBXADCRYDJOR-CQSZACIVSA-N 1 0 395.294 1.277 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819248209 655388671 /nfs/dbraw/zinc/38/86/71/655388671.db2.gz NNJSZRZIKUKWBH-ZDUSSCGKSA-N 1 0 381.267 1.103 20 0 GDADRO C[C@@](O)(C[NH2+][C@H](CO)CN1CCCC1)c1ccc(Br)cc1F ZINC000843115355 655388799 /nfs/dbraw/zinc/38/87/99/655388799.db2.gz HTLJNZIZGFSQKU-XJKSGUPXSA-N 1 0 375.282 1.842 20 0 GDADRO [NH3+]CCc1noc(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000843129675 655389139 /nfs/dbraw/zinc/38/91/39/655389139.db2.gz ZLWZZJGOWUCOFN-UHFFFAOYSA-N 1 0 398.794 1.764 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000819320690 655389931 /nfs/dbraw/zinc/38/99/31/655389931.db2.gz DVLAKWBUCYEVKB-QGZVFWFLSA-N 1 0 389.539 1.882 20 0 GDADRO [NH3+]CCCCCCNC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000843265623 655390209 /nfs/dbraw/zinc/39/02/09/655390209.db2.gz HHXPJITXEVZNBV-UHFFFAOYSA-N 1 0 382.302 1.969 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000819350614 655390445 /nfs/dbraw/zinc/39/04/45/655390445.db2.gz QUPIPJCBRLBXEY-HNNXBMFYSA-N 1 0 381.416 1.922 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000819360411 655390534 /nfs/dbraw/zinc/39/05/34/655390534.db2.gz JAGXHIINMDUIDY-KGLIPLIRSA-N 1 0 376.519 1.209 20 0 GDADRO COc1cc(F)c(Br)cc1NC[C@H](O)CN1CC[NH+](C)CC1 ZINC000819492779 655391582 /nfs/dbraw/zinc/39/15/82/655391582.db2.gz FQYASWLINBCMHE-NSHDSACASA-N 1 0 376.270 1.617 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843356241 655393628 /nfs/dbraw/zinc/39/36/28/655393628.db2.gz ITTUEBYUVIHOEV-STQMWFEESA-N 1 0 390.937 1.624 20 0 GDADRO [NH3+]CC[C@@H]1CCCCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000843385094 655394047 /nfs/dbraw/zinc/39/40/47/655394047.db2.gz WOESLMJEYCMKAF-LBPRGKRZSA-N 1 0 375.441 1.825 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843414688 655394597 /nfs/dbraw/zinc/39/45/97/655394597.db2.gz BFUJQUBOCFRMQO-CQSZACIVSA-N 1 0 398.301 1.971 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000843413254 655394627 /nfs/dbraw/zinc/39/46/27/655394627.db2.gz NCXMIGYVIFOCIU-AWEZNQCLSA-N 1 0 394.273 1.796 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1nc2ccccn2c1Br ZINC000843429487 655394839 /nfs/dbraw/zinc/39/48/39/655394839.db2.gz WZMIKXQANJBGMO-GFCCVEGCSA-N 1 0 380.290 1.649 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H](O)COc1ccccc1Br ZINC000843445717 655395116 /nfs/dbraw/zinc/39/51/16/655395116.db2.gz FGZAVIJOCYSJSB-CHWSQXEVSA-N 1 0 387.274 1.074 20 0 GDADRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)[C@H]1C ZINC000843472199 655395930 /nfs/dbraw/zinc/39/59/30/655395930.db2.gz MVYMRACZSKFJLC-STQMWFEESA-N 1 0 385.917 1.947 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820106118 655402908 /nfs/dbraw/zinc/40/29/08/655402908.db2.gz CPIGILVCWKCLLU-UOIKSKOESA-N 1 0 389.297 1.972 20 0 GDADRO Cc1nc(SC(F)F)sc1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000844037645 655405758 /nfs/dbraw/zinc/40/57/58/655405758.db2.gz LCSUHZIZHOFGAW-JTQLQIEISA-N 1 0 392.497 1.887 20 0 GDADRO C[N@@H+]1C[C@@H](CNC(=O)CS[C@H]2CCS(=O)(=O)C2)[C@H](c2ccccc2)C1 ZINC000844049589 655405982 /nfs/dbraw/zinc/40/59/82/655405982.db2.gz OCDXDJVDJKVOHJ-IKGGRYGDSA-N 1 0 382.551 1.368 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000844198895 655408536 /nfs/dbraw/zinc/40/85/36/655408536.db2.gz RBPQOOXDXPLJPY-JTQLQIEISA-N 1 0 384.221 1.809 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000844227457 655408720 /nfs/dbraw/zinc/40/87/20/655408720.db2.gz ZDCLCRKNGLFTTG-MLPAPPSSSA-N 1 0 388.331 1.587 20 0 GDADRO COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)CCCOC1 ZINC000844319737 655409446 /nfs/dbraw/zinc/40/94/46/655409446.db2.gz XSSCKGAWZLFOEU-HNNXBMFYSA-N 1 0 376.862 1.189 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000844945521 655421154 /nfs/dbraw/zinc/42/11/54/655421154.db2.gz LVAUVHPKDRDAJD-JQFCIGGWSA-N 1 0 376.904 1.933 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nn1cc(Br)cn1 ZINC000845859579 655436999 /nfs/dbraw/zinc/43/69/99/655436999.db2.gz MIFWHRBGLASPPD-NSHDSACASA-N 1 0 390.282 1.561 20 0 GDADRO C[S@](=O)CCNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000845880409 655437486 /nfs/dbraw/zinc/43/74/86/655437486.db2.gz OMFNLLUOQBIYDT-VWLOTQADSA-N 1 0 383.539 1.308 20 0 GDADRO CCn1ncc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1Br ZINC000822036889 655439972 /nfs/dbraw/zinc/43/99/72/655439972.db2.gz BGRXRLHWIVYXJT-UHFFFAOYSA-N 1 0 386.338 1.811 20 0 GDADRO Nc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc(Br)n1 ZINC000822685093 655449516 /nfs/dbraw/zinc/44/95/16/655449516.db2.gz URVXAHDBIIGVLR-ZDUSSCGKSA-N 1 0 383.290 1.753 20 0 GDADRO CCn1ncc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1Br ZINC000822684729 655449534 /nfs/dbraw/zinc/44/95/34/655449534.db2.gz PUBWYSBRZKXBQB-ZDUSSCGKSA-N 1 0 385.306 1.992 20 0 GDADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000846233619 655450360 /nfs/dbraw/zinc/45/03/60/655450360.db2.gz RBKLMTZVYDGMRM-UHFFFAOYSA-N 1 0 386.470 1.427 20 0 GDADRO O=C(NCCSCc1ccnc(Cl)c1)C(=O)NCCC1CC[NH2+]CC1 ZINC000846336207 655452424 /nfs/dbraw/zinc/45/24/24/655452424.db2.gz XOGQTNSPSJVACB-UHFFFAOYSA-N 1 0 384.933 1.590 20 0 GDADRO O=C(Cc1noc(C[C@H]2COCC[NH2+]2)n1)Nc1ccccc1Br ZINC000823075753 655456174 /nfs/dbraw/zinc/45/61/74/655456174.db2.gz WSGFQUQPZBOGCI-JTQLQIEISA-N 1 0 381.230 1.544 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000823195329 655458146 /nfs/dbraw/zinc/45/81/46/655458146.db2.gz UXKBBCKFSWUQQO-CYBMUJFWSA-N 1 0 375.441 1.647 20 0 GDADRO C[NH+]1CCC(ONC(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000846647472 655458390 /nfs/dbraw/zinc/45/83/90/655458390.db2.gz SYJARDUMXVXNBK-UHFFFAOYSA-N 1 0 375.878 1.150 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN1CCO[C@H](c2ccccc2Br)C1 ZINC000846792241 655460911 /nfs/dbraw/zinc/46/09/11/655460911.db2.gz MNVRLXXHFAKRPY-YOEHRIQHSA-N 1 0 387.318 1.762 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1=O ZINC000823672820 655466524 /nfs/dbraw/zinc/46/65/24/655466524.db2.gz GMHJDSSFPZABBL-UHFFFAOYSA-N 1 0 384.274 1.085 20 0 GDADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3nc(F)ccc3Br)C2)CC1 ZINC000847486391 655470159 /nfs/dbraw/zinc/47/01/59/655470159.db2.gz URLKZQSYLYVBQH-LLVKDONJSA-N 1 0 385.281 1.882 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cnc(F)c(Br)c3)CC2)C1 ZINC000847499813 655470577 /nfs/dbraw/zinc/47/05/77/655470577.db2.gz VWBJWOUIUUARTA-CYBMUJFWSA-N 1 0 385.281 1.835 20 0 GDADRO C[C@H]1C[C@H](C[NH2+]C2CC(NS(C)(=O)=O)C2)CCN1C(=O)OC(C)(C)C ZINC000824344768 655474347 /nfs/dbraw/zinc/47/43/47/655474347.db2.gz TXRWSVKEQFDECG-ZUJMUWTESA-N 1 0 375.535 1.692 20 0 GDADRO CC(C)(C)n1cc(Br)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000824732464 655479634 /nfs/dbraw/zinc/47/96/34/655479634.db2.gz DCHRFKOAQUTGGV-NEPJUHHUSA-N 1 0 385.306 1.994 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000825171922 655485124 /nfs/dbraw/zinc/48/51/24/655485124.db2.gz AFTIREKXHXNODP-CYBMUJFWSA-N 1 0 389.315 1.971 20 0 GDADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000825183981 655485263 /nfs/dbraw/zinc/48/52/63/655485263.db2.gz UNUOEUDHDKGDQC-CYBMUJFWSA-N 1 0 381.889 1.382 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000825188129 655485433 /nfs/dbraw/zinc/48/54/33/655485433.db2.gz GTFPIKSHBPIILK-STQMWFEESA-N 1 0 385.917 1.982 20 0 GDADRO O=C(c1c(Br)nc2n1CCC2)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000825432668 655489258 /nfs/dbraw/zinc/48/92/58/655489258.db2.gz PPEBXUDPNOBDHS-CYBMUJFWSA-N 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655509552 /nfs/dbraw/zinc/50/95/52/655509552.db2.gz OKDDNGLPUKYERF-KGLIPLIRSA-N 1 0 384.274 1.340 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CC[C@@H]21 ZINC000827365635 655509792 /nfs/dbraw/zinc/50/97/92/655509792.db2.gz JWUIMFBKKYSGLX-ZFWWWQNUSA-N 1 0 385.917 1.561 20 0 GDADRO CS[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)C[C@H]1[NH+](C)C ZINC000827425183 655510965 /nfs/dbraw/zinc/51/09/65/655510965.db2.gz GYUQIEMGLSQHGK-AGIUHOORSA-N 1 0 375.560 1.800 20 0 GDADRO CC[N@H+](CCNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)C ZINC000827591152 655513550 /nfs/dbraw/zinc/51/35/50/655513550.db2.gz KITKYCLPOGZJHJ-UHFFFAOYSA-N 1 0 392.319 1.557 20 0 GDADRO C[NH+]1CCC(CNC(=S)Nc2ccc(OCCS(C)(=O)=O)cc2)CC1 ZINC000849272273 655521286 /nfs/dbraw/zinc/52/12/86/655521286.db2.gz GCLOIVHMLONKIM-UHFFFAOYSA-N 1 0 385.555 1.738 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000849422619 655532445 /nfs/dbraw/zinc/53/24/45/655532445.db2.gz CTQRROQDJRZXDM-NSHDSACASA-N 1 0 393.966 1.600 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CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)C1 ZINC000859072932 655761750 /nfs/dbraw/zinc/76/17/50/655761750.db2.gz LJJCIBYNUXQOGU-OAHLLOKOSA-N 1 0 375.535 1.647 20 0 GDADRO Cc1nc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)c(Br)n1C ZINC000859301936 655774586 /nfs/dbraw/zinc/77/45/86/655774586.db2.gz KVJUBNRKCQBGHE-NSHDSACASA-N 1 0 379.324 1.501 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000859687832 655788858 /nfs/dbraw/zinc/78/88/58/655788858.db2.gz FRRAZOCEDVJVGD-QMMMGPOBSA-N 1 0 383.168 1.973 20 0 GDADRO CC(C)n1ncc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000859941830 655792036 /nfs/dbraw/zinc/79/20/36/655792036.db2.gz OSRPNVCWTZQYOP-CYBMUJFWSA-N 1 0 390.937 1.698 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861538843 655825339 /nfs/dbraw/zinc/82/53/39/655825339.db2.gz GFBKFANWSOGBNZ-SECBINFHSA-N 1 0 375.210 1.344 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000861542175 655825558 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GDADRO O=C(Cn1ccc(Br)cc1=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000865039952 655910597 /nfs/dbraw/zinc/91/05/97/655910597.db2.gz HFBNTZXCXAEYDL-OAHLLOKOSA-N 1 0 398.301 1.324 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1nc(Br)sc1Cl ZINC000865202295 655914607 /nfs/dbraw/zinc/91/46/07/655914607.db2.gz JNEXGKFQEQVMMC-MRVPVSSYSA-N 1 0 381.727 1.925 20 0 GDADRO CCOC(=O)CS[C@@H](CNC(=S)NC1CC[NH+](C)CC1)C(F)(F)F ZINC000865270020 655915875 /nfs/dbraw/zinc/91/58/75/655915875.db2.gz CGDKGCAWXYQXGQ-NSHDSACASA-N 1 0 387.493 1.772 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)cnc2OC)CC1 ZINC000865410773 655919342 /nfs/dbraw/zinc/91/93/42/655919342.db2.gz IAEOLVVJHYURPE-UHFFFAOYSA-N 1 0 392.319 1.756 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000865490258 655920768 /nfs/dbraw/zinc/92/07/68/655920768.db2.gz QMUSITIFKQGIBN-ZWNOBZJWSA-N 1 0 392.319 1.660 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000865509507 655920838 /nfs/dbraw/zinc/92/08/38/655920838.db2.gz MLJGPGSKHSKCOD-GFCCVEGCSA-N 1 0 378.292 1.366 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cnc3c(cnn3C)c2)c(C)s1 ZINC000865506913 655920842 /nfs/dbraw/zinc/92/08/42/655920842.db2.gz ZOYDZUIEHLSRPS-UHFFFAOYSA-N 1 0 379.511 1.715 20 0 GDADRO C[C@H]1CN(c2ccc(CO)c(Br)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000865649229 655923521 /nfs/dbraw/zinc/92/35/21/655923521.db2.gz PJPNXBWCIIHLBU-DZGCQCFKSA-N 1 0 383.334 1.799 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](Nc2nc(Cl)c(C(=O)OC)s2)CC1=O ZINC000865886840 655929219 /nfs/dbraw/zinc/92/92/19/655929219.db2.gz NFUKFSPIVDPSCF-SNVBAGLBSA-N 1 0 390.893 1.174 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(I)nn1C ZINC000865908280 655929687 /nfs/dbraw/zinc/92/96/87/655929687.db2.gz ZCMFGXJWDSDAMG-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(I)nn2C)CC[N@@H+]1C ZINC000866049549 655933850 /nfs/dbraw/zinc/93/38/50/655933850.db2.gz PUTNGQIAYGEMAT-ZJUUUORDSA-N 1 0 376.242 1.579 20 0 GDADRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncnc2c1c(Br)nn2C ZINC000866256732 655936684 /nfs/dbraw/zinc/93/66/84/655936684.db2.gz SKDDJUNOQPGGBR-UHFFFAOYSA-N 1 0 395.305 1.674 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cnn(C)c1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000866497316 655947342 /nfs/dbraw/zinc/94/73/42/655947342.db2.gz FEKXNNGFWZZOEJ-QWRGUYRKSA-N 1 0 379.324 1.581 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000866526995 655948175 /nfs/dbraw/zinc/94/81/75/655948175.db2.gz SAYYQWTYGXIIKT-UHFFFAOYSA-N 1 0 377.532 1.469 20 0 GDADRO O=C1COC[C@]2(C[NH2+][C@H]3CCc4c3cccc4Br)COCCN12 ZINC000866553141 655949051 /nfs/dbraw/zinc/94/90/51/655949051.db2.gz LEULCRBGKSRXJA-RDJZCZTQSA-N 1 0 381.270 1.654 20 0 GDADRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(Br)cs1 ZINC000866554387 655949204 /nfs/dbraw/zinc/94/92/04/655949204.db2.gz QKXNMXLWVJGAMQ-QMTHXVAHSA-N 1 0 375.288 1.789 20 0 GDADRO COc1ncc(Br)cc1CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712040 655956005 /nfs/dbraw/zinc/95/60/05/655956005.db2.gz QCXYBJIPHVKKRN-MCIONIFRSA-N 1 0 397.273 1.220 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000866736027 655957455 /nfs/dbraw/zinc/95/74/55/655957455.db2.gz ZHXRVCDZKGEYPF-UHFFFAOYSA-N 1 0 390.347 1.472 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866744994 655958285 /nfs/dbraw/zinc/95/82/85/655958285.db2.gz ZQYPBXWKEWUHJB-WDEREUQCSA-N 1 0 377.308 1.335 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000866752770 655959115 /nfs/dbraw/zinc/95/91/15/655959115.db2.gz VUAUKFVLAPCKOI-AWEZNQCLSA-N 1 0 382.313 1.545 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000866752479 655959117 /nfs/dbraw/zinc/95/91/17/655959117.db2.gz PZWFWJCPDGYZLG-CQSZACIVSA-N 1 0 382.313 1.545 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CCO1 ZINC000866755084 655959227 /nfs/dbraw/zinc/95/92/27/655959227.db2.gz GBFJIBVOVMLXRK-VIFPVBQESA-N 1 0 375.244 1.544 20 0 GDADRO C[C@@]1(CNS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CCC[NH2+]C1 ZINC000866761527 655959870 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GDADRO Cn1ncc(S(=O)(=O)NCc2cccc3c2CC[NH2+]C3)c1Br ZINC000866783717 655963283 /nfs/dbraw/zinc/96/32/83/655963283.db2.gz SQWRSTRBMNLUBU-UHFFFAOYSA-N 1 0 385.287 1.307 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000866796289 655964574 /nfs/dbraw/zinc/96/45/74/655964574.db2.gz BRZWMZTWUQVTIG-LLVKDONJSA-N 1 0 396.481 1.739 20 0 GDADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000866807464 655965943 /nfs/dbraw/zinc/96/59/43/655965943.db2.gz VGLVHBPEMUXYKC-DAXOMENPSA-N 1 0 385.917 1.601 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)c1F ZINC000866811490 655966208 /nfs/dbraw/zinc/96/62/08/655966208.db2.gz YHAGGTARAJOLDH-SECBINFHSA-N 1 0 378.853 1.932 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)c1OC ZINC000866811479 655966217 /nfs/dbraw/zinc/96/62/17/655966217.db2.gz XWJIIGNDVRWLFP-SNVBAGLBSA-N 1 0 390.889 1.802 20 0 GDADRO COCCC1(NS(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)CC[NH2+]CC1 ZINC000866820505 655967037 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C[NH+](C)C1(C)CCC(NS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC000867742269 656107608 /nfs/dbraw/zinc/10/76/08/656107608.db2.gz GOVOTJKVPSVGGQ-UHFFFAOYSA-N 1 0 388.555 1.772 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000867891596 656130995 /nfs/dbraw/zinc/13/09/95/656130995.db2.gz MIJYDIXHLVUVJU-CABCVRRESA-N 1 0 375.535 1.742 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C2CC[NH2+]CC2)s1 ZINC000868003549 656137331 /nfs/dbraw/zinc/13/73/31/656137331.db2.gz YMCHDAKTUHLWTA-UKRRQHHQSA-N 1 0 385.555 1.714 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000868030097 656137934 /nfs/dbraw/zinc/13/79/34/656137934.db2.gz HFARSWOVJZBRCK-LRDDRELGSA-N 1 0 385.917 1.804 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000868078528 656139850 /nfs/dbraw/zinc/13/98/50/656139850.db2.gz MNSLDEAUHQQJQZ-IAQYHMDHSA-N 1 0 389.315 1.809 20 0 GDADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 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Cc1nc(CN2CCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)CC2)no1 ZINC000870882558 656251319 /nfs/dbraw/zinc/25/13/19/656251319.db2.gz GBJSHVHRIAWDBJ-HNNXBMFYSA-N 1 0 394.273 1.485 20 0 GDADRO CCN1C(=S)N=NC1CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870882146 656251367 /nfs/dbraw/zinc/25/13/67/656251367.db2.gz JTLSRSAOZGOPRS-LBPRGKRZSA-N 1 0 384.303 1.708 20 0 GDADRO CCn1nc2c(cc1=O)CN(C(=O)[C@H]([NH3+])c1cccc(Br)c1)CC2 ZINC000870900390 656254460 /nfs/dbraw/zinc/25/44/60/656254460.db2.gz LCVVVHKCXJZFIJ-MRXNPFEDSA-N 1 0 391.269 1.610 20 0 GDADRO CCOC(=O)CN1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870919827 656255418 /nfs/dbraw/zinc/25/54/18/656255418.db2.gz JBQMEOPXJYRSPP-INIZCTEOSA-N 1 0 398.301 1.546 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)c2cnn(C(C)C)c2I)C1 ZINC000870934031 656256460 /nfs/dbraw/zinc/25/64/60/656256460.db2.gz CSQGNEIPIUZZSJ-SNVBAGLBSA-N 1 0 376.242 1.893 20 0 GDADRO COc1cc(I)ccc1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000870938749 656256779 /nfs/dbraw/zinc/25/67/79/656256779.db2.gz 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ZINC000871810868 656281088 /nfs/dbraw/zinc/28/10/88/656281088.db2.gz RCWYBQUXHBUXPW-LBPRGKRZSA-N 1 0 384.889 1.425 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000871811056 656281104 /nfs/dbraw/zinc/28/11/04/656281104.db2.gz RDXVIBNDPWELJF-OAHLLOKOSA-N 1 0 388.917 1.923 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cn2)C[C@@H]1C(F)(F)F ZINC000871813419 656282113 /nfs/dbraw/zinc/28/21/13/656282113.db2.gz ILCWBBYGJGXMME-APPZFPTMSA-N 1 0 388.209 1.602 20 0 GDADRO CN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871814416 656282817 /nfs/dbraw/zinc/28/28/17/656282817.db2.gz UIIJUZMKKTZDRY-WCQYABFASA-N 1 0 379.404 1.146 20 0 GDADRO CC(C)c1nnc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)s1 ZINC000871958543 656304017 /nfs/dbraw/zinc/30/40/17/656304017.db2.gz ISVVXKKJEVOJQB-UHFFFAOYSA-N 1 0 384.531 1.338 20 0 GDADRO C[NH+](C)C[C@H](N)c1nc(Cc2cccc(F)c2I)no1 ZINC000872178167 656319104 /nfs/dbraw/zinc/31/91/04/656319104.db2.gz SJGOEJYIHYUEKP-JTQLQIEISA-N 1 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/nfs/dbraw/zinc/67/14/12/656671412.db2.gz UDOYPPHQGCTMEJ-ZJUUUORDSA-N 1 0 384.807 1.953 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877368902 656671468 /nfs/dbraw/zinc/67/14/68/656671468.db2.gz SSWUZLULJFPRPY-IVZWLZJFSA-N 1 0 385.433 1.011 20 0 GDADRO CC(C)n1ncc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1I ZINC000877371635 656671792 /nfs/dbraw/zinc/67/17/92/656671792.db2.gz UECHZTIFSRQYFQ-IINYFYTJSA-N 1 0 388.253 1.750 20 0 GDADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cccn2c(I)cnc12 ZINC000877393529 656673161 /nfs/dbraw/zinc/67/31/61/656673161.db2.gz ZJAMSRIHWBMXRM-XHDPSFHLSA-N 1 0 396.232 1.953 20 0 GDADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc1Br ZINC000877610883 656683267 /nfs/dbraw/zinc/68/32/67/656683267.db2.gz LLHLQHKEDHHEMG-LLVKDONJSA-N 1 0 391.287 1.359 20 0 GDADRO CCOC(=O)CSC[C@@H]1NC(=O)N(CC2(SC)CC[NH+](C)CC2)C1=O ZINC000924893564 656685615 /nfs/dbraw/zinc/68/56/15/656685615.db2.gz RBXDGCIDUUVWLB-LBPRGKRZSA-N 1 0 389.543 1.031 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000924990196 656690492 /nfs/dbraw/zinc/69/04/92/656690492.db2.gz XKHFOGDOFQGLTI-ZIAGYGMSSA-N 1 0 399.289 1.142 20 0 GDADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764264 656691285 /nfs/dbraw/zinc/69/12/85/656691285.db2.gz YJYAIOIHEKCCGX-GASCZTMLSA-N 1 0 380.286 1.976 20 0 GDADRO CO[C@H](C[NH2+]Cc1c(I)cnn1C)C1CCOCC1 ZINC000877776488 656691890 /nfs/dbraw/zinc/69/18/90/656691890.db2.gz MRUHNUBYNPNGAE-CYBMUJFWSA-N 1 0 379.242 1.556 20 0 GDADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000925034847 656692273 /nfs/dbraw/zinc/69/22/73/656692273.db2.gz VYZSGTXJWLOPSN-XJKSGUPXSA-N 1 0 394.313 1.913 20 0 GDADRO C[C@H]1[C@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC[N@@H+]1C ZINC000925339171 656706511 /nfs/dbraw/zinc/70/65/11/656706511.db2.gz SETBVMJUIWFBBK-VHSXEESVSA-N 1 0 378.424 1.481 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC[N@@H+]1C ZINC000925339172 656706613 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COc1ccc([C@H](NCCS(=O)(=O)N=S(C)(C)=O)[C@H]2CCC[NH2+]2)cc1 ZINC000925813324 656722797 /nfs/dbraw/zinc/72/27/97/656722797.db2.gz SFNAVFVONVZHAC-CVEARBPZSA-N 1 0 389.543 1.135 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)CCC2 ZINC000925852226 656723829 /nfs/dbraw/zinc/72/38/29/656723829.db2.gz FEJURGLNWAVVBZ-GJZGRUSLSA-N 1 0 377.432 1.986 20 0 GDADRO CCOC(=O)Cc1csc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)n1 ZINC000925899994 656725256 /nfs/dbraw/zinc/72/52/56/656725256.db2.gz OHOAYFVTGPCQIV-UWVGGRQHSA-N 1 0 380.392 1.992 20 0 GDADRO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](O)c2cc(Br)no2)CC1 ZINC000878457240 656726188 /nfs/dbraw/zinc/72/61/88/656726188.db2.gz UQIOLCXCQFMZPN-KOLCDFICSA-N 1 0 376.251 1.927 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1ncc(C(F)(F)F)s1)C2 ZINC000926101982 656735953 /nfs/dbraw/zinc/73/59/53/656735953.db2.gz UMWPPSOZWLNZFM-DAROEXNTSA-N 1 0 378.376 1.906 20 0 GDADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CCNCC[NH2+]CC1 ZINC000926108170 656736421 /nfs/dbraw/zinc/73/64/21/656736421.db2.gz JOQGIGKQYUQLOV-UHFFFAOYSA-N 1 0 394.277 1.057 20 0 GDADRO Cc1cnc(Br)c(NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000926122342 656737010 /nfs/dbraw/zinc/73/70/10/656737010.db2.gz FNGJMAOIHKBLJI-NSHDSACASA-N 1 0 397.273 1.959 20 0 GDADRO Cc1n[nH]c(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1Br ZINC000926180106 656740088 /nfs/dbraw/zinc/74/00/88/656740088.db2.gz YMQMIUIYHXMYRP-JDOCFBBISA-N 1 0 385.306 1.690 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)C[C@H](O)C(Cl)(Cl)Cl)C2 ZINC000926195124 656740734 /nfs/dbraw/zinc/74/07/34/656740734.db2.gz DHEDBFYEQHYOSF-SSYGJKRZSA-N 1 0 387.735 1.704 20 0 GDADRO CN(CC(=O)NC1CC[NH+](C)CC1)C[C@H](O)c1ccccc1Br ZINC000878692240 656742121 /nfs/dbraw/zinc/74/21/21/656742121.db2.gz XVVRKSNBFZPQDU-INIZCTEOSA-N 1 0 384.318 1.625 20 0 GDADRO CO[C@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(F)(F)F ZINC000926252291 656742590 /nfs/dbraw/zinc/74/25/90/656742590.db2.gz 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CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 ZINC000878916053 656758264 /nfs/dbraw/zinc/75/82/64/656758264.db2.gz RQEAPDHZZMJOGF-HIFRSBDPSA-N 1 0 385.555 1.386 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CCCC[C@@H]2C[NH+](C)C)cs1)C(N)=O ZINC000879019677 656768927 /nfs/dbraw/zinc/76/89/27/656768927.db2.gz XMPFCJYOLYSCNV-ZIAGYGMSSA-N 1 0 384.571 1.984 20 0 GDADRO COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000879080046 656771803 /nfs/dbraw/zinc/77/18/03/656771803.db2.gz VQAJNUJDWUYBRK-CXAGYDPISA-N 1 0 375.535 1.470 20 0 GDADRO O=C1COC[C@]2(C[NH2+][C@@H]3CCCc4ncc(Br)cc43)COCCN12 ZINC000926804729 656780051 /nfs/dbraw/zinc/78/00/51/656780051.db2.gz VPWJAXXHDTWEQY-WBVHZDCISA-N 1 0 396.285 1.439 20 0 GDADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000927025863 656787692 /nfs/dbraw/zinc/78/76/92/656787692.db2.gz IXFMWCUPMNIMIV-YPMHNXCESA-N 1 0 395.262 1.274 20 0 GDADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000927033064 656788260 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COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000927814660 656841573 /nfs/dbraw/zinc/84/15/73/656841573.db2.gz HXCSAOAIXNGKHP-BDAKNGLRSA-N 1 0 388.251 1.690 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000927819782 656842315 /nfs/dbraw/zinc/84/23/15/656842315.db2.gz LSJKIPKKPSTQBE-GFCCVEGCSA-N 1 0 397.273 1.058 20 0 GDADRO [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC000927857223 656846172 /nfs/dbraw/zinc/84/61/72/656846172.db2.gz IWYWXHLFTKJJBN-GFCCVEGCSA-N 1 0 377.388 1.469 20 0 GDADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCNCC[NH2+]CC3)n2)s1 ZINC000927879670 656848954 /nfs/dbraw/zinc/84/89/54/656848954.db2.gz KCKGBGOIBDKMGD-UHFFFAOYSA-N 1 0 379.511 1.140 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000927887488 656850821 /nfs/dbraw/zinc/85/08/21/656850821.db2.gz ARLLCBOWIQYTEC-QMMMGPOBSA-N 1 0 376.201 1.863 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000927891004 656851356 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383.539 1.294 20 0 GDADRO CC[C@H](C)[NH+]1CCN(C(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)CC1 ZINC000880231734 656878062 /nfs/dbraw/zinc/87/80/62/656878062.db2.gz XAIOTBGUGITZRR-JSGCOSHPSA-N 1 0 384.571 1.984 20 0 GDADRO CCC1([NH+]2CCCCC2)CCN(CCNS(=O)(=O)CCCOC)CC1 ZINC000880257035 656879041 /nfs/dbraw/zinc/87/90/41/656879041.db2.gz RCUZPQAQAGXHHG-UHFFFAOYSA-N 1 0 375.579 1.673 20 0 GDADRO C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000928455312 656903982 /nfs/dbraw/zinc/90/39/82/656903982.db2.gz OSWCJFOMDWGYMW-GWCFXTLKSA-N 1 0 379.404 1.193 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)ccc1Cl ZINC000928455911 656904032 /nfs/dbraw/zinc/90/40/32/656904032.db2.gz VMINOBAFILYXHK-GXFFZTMASA-N 1 0 375.878 1.344 20 0 GDADRO C[C@@H]1[C@H](NC(=O)CCn2cnc3ccc(Br)cc3c2=O)CC[N@@H+]1C ZINC000928456815 656904496 /nfs/dbraw/zinc/90/44/96/656904496.db2.gz VUTKAAQTOAYVQT-BXUZGUMPSA-N 1 0 393.285 1.758 20 0 GDADRO C[N@@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 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388.559 1.651 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000881789777 656959527 /nfs/dbraw/zinc/95/95/27/656959527.db2.gz CXHWOPMVENGHEI-DQIAKBPPSA-N 1 0 386.543 1.451 20 0 GDADRO C[N@H+](C[C@H](O)C[C@]1(O)CCOC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000929331807 656960783 /nfs/dbraw/zinc/96/07/83/656960783.db2.gz WYKXXJIIGCCJON-PWBULWKKSA-N 1 0 376.280 1.786 20 0 GDADRO C[C@H](CNS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C[NH+]1CCCC1 ZINC000881798297 656961372 /nfs/dbraw/zinc/96/13/72/656961372.db2.gz RJOXGGBYTKVOSD-OYLFLEFRSA-N 1 0 388.559 1.556 20 0 GDADRO CC[NH+]1CCC(CNS(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)CC1 ZINC000881810385 656963959 /nfs/dbraw/zinc/96/39/59/656963959.db2.gz QSEDJQXIOFRDAP-XMMPIXPASA-N 1 0 388.559 1.556 20 0 GDADRO CN(C)[S@@](C)(=O)=NS(=O)(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000881817312 656965848 /nfs/dbraw/zinc/96/58/48/656965848.db2.gz NPSRGIBAQUMMRM-DEOSSOPVSA-N 1 0 390.575 1.302 20 0 GDADRO C[NH+]1CCN(CCNC(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC000929582259 656973549 /nfs/dbraw/zinc/97/35/49/656973549.db2.gz SRWCTTRLGMSTFY-UHFFFAOYSA-N 1 0 376.245 1.905 20 0 GDADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc(Br)nc1N ZINC000929588166 656973997 /nfs/dbraw/zinc/97/39/97/656973997.db2.gz IZALIKRJOSXSEU-ZDUSSCGKSA-N 1 0 376.295 1.661 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789386 656984527 /nfs/dbraw/zinc/98/45/27/656984527.db2.gz DRKHFZWIFLFNCV-HZPDHXFCSA-N 1 0 375.579 1.262 20 0 GDADRO CC1(C)CC[N@H+](CCNC(=O)C(=O)NCc2sccc2Br)C1 ZINC000929863203 656988289 /nfs/dbraw/zinc/98/82/89/656988289.db2.gz PCEUZDJFHDUQCK-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO CN(C)c1cc[nH+]c(CNC(=O)C(=O)NCc2sccc2Br)c1 ZINC000929863462 656988709 /nfs/dbraw/zinc/98/87/09/656988709.db2.gz TYTGPVAVQCGVIF-UHFFFAOYSA-N 1 0 397.298 1.904 20 0 GDADRO CON1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000929886698 656989689 /nfs/dbraw/zinc/98/96/89/656989689.db2.gz PJCVMIBLAPKIHS-WCQYABFASA-N 1 0 397.273 1.657 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000929983260 656994747 /nfs/dbraw/zinc/99/47/47/656994747.db2.gz ZVKMRKFFSVJPKT-OAHLLOKOSA-N 1 0 375.535 1.790 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000930017868 656996192 /nfs/dbraw/zinc/99/61/92/656996192.db2.gz KBYQSAQRTNPSFH-QLFBSQMISA-N 1 0 375.535 1.693 20 0 GDADRO C[C@H]1CN(Cc2ccc(Br)nc2N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930137754 657002697 /nfs/dbraw/zinc/00/26/97/657002697.db2.gz VZHXGDHFEQCMFA-DZGCQCFKSA-N 1 0 382.350 1.884 20 0 GDADRO Cn1cc(C2=NC[C@@H](C[N@H+](C)[C@@H](CO)c3cccc(Br)c3)O2)cn1 ZINC000930149850 657003217 /nfs/dbraw/zinc/00/32/17/657003217.db2.gz ZJSIUCXKEVKAKE-HOTGVXAUSA-N 1 0 393.285 1.993 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc3nnc(Br)n3n2)CC1 ZINC000881959834 657004694 /nfs/dbraw/zinc/00/46/94/657004694.db2.gz JCGCGQKXLYXCOJ-UHFFFAOYSA-N 1 0 396.293 1.241 20 0 GDADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000930166848 657005234 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Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cccc(Cl)c3N)CC2)cn1 ZINC000883017099 657263624 /nfs/dbraw/zinc/26/36/24/657263624.db2.gz XDIQLZZVDOHMKV-UHFFFAOYSA-N 1 0 383.905 1.599 20 0 GDADRO C[C@H](NC(=O)c1cc(Br)c2nccnc2c1)[C@@H]1C[N@H+](C)CCN1C ZINC000933381425 657274570 /nfs/dbraw/zinc/27/45/70/657274570.db2.gz DAFWLRLBDGGURL-NHYWBVRUSA-N 1 0 392.301 1.756 20 0 GDADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)[C@H]1CCCOC1 ZINC000883221127 657278391 /nfs/dbraw/zinc/27/83/91/657278391.db2.gz UYIPUYASWGSHKO-WFASDCNBSA-N 1 0 378.441 1.274 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+]CCN(C)CCOCCO)cnc12 ZINC000883348970 657282823 /nfs/dbraw/zinc/28/28/23/657282823.db2.gz LKTAUYJEKSQOHB-UHFFFAOYSA-N 1 0 385.306 1.436 20 0 GDADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000883372233 657284095 /nfs/dbraw/zinc/28/40/95/657284095.db2.gz RXVMYCBGBZDNBF-CQSZACIVSA-N 1 0 386.338 1.069 20 0 GDADRO NS(=O)(=O)c1ccc(C2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000933551040 657286900 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O=C(NCCNC(=O)c1cccc(Br)c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891474490 658243325 /nfs/dbraw/zinc/24/33/25/658243325.db2.gz WZLFRSIIEWFWCZ-YOEHRIQHSA-N 1 0 395.301 1.763 20 0 GDADRO [NH3+][C@H]1CCCCCN(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000891548228 658249455 /nfs/dbraw/zinc/24/94/55/658249455.db2.gz BKEVEEVANWPUAE-ZDUSSCGKSA-N 1 0 382.477 1.164 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)NC)s2)C1 ZINC000891693771 658265923 /nfs/dbraw/zinc/26/59/23/658265923.db2.gz ZFTLMSNSFNJNIR-ZDUSSCGKSA-N 1 0 388.559 1.530 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000891882114 658280964 /nfs/dbraw/zinc/28/09/64/658280964.db2.gz NIBFOEAAXSVPNO-BZQUYTCOSA-N 1 0 375.583 1.713 20 0 GDADRO C[N@H+](CCCNC(=O)N1CCO[C@@H](CS(C)(=O)=O)C1)C1CCCCC1 ZINC000891893006 658281279 /nfs/dbraw/zinc/28/12/79/658281279.db2.gz IVQOKJZZTVYMEU-MRXNPFEDSA-N 1 0 375.535 1.096 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891923731 658282664 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COCCC[NH+]1CCC(NCc2cn(C)nc2I)CC1 ZINC000894215967 658523344 /nfs/dbraw/zinc/52/33/44/658523344.db2.gz ZGRBUVIJXJHFTH-UHFFFAOYSA-N 1 0 392.285 1.615 20 0 GDADRO C[C@@H]([NH2+]Cc1cn(C)nc1I)[C@H](C)N1CCOCC1 ZINC000894245407 658527216 /nfs/dbraw/zinc/52/72/16/658527216.db2.gz BIFYYJHXVGCPOA-MNOVXSKESA-N 1 0 378.258 1.224 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c(I)n1 ZINC000894285667 658533151 /nfs/dbraw/zinc/53/31/51/658533151.db2.gz YWUSYTXUEPMECO-QWRGUYRKSA-N 1 0 397.282 1.470 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c(I)n1 ZINC000894342727 658541204 /nfs/dbraw/zinc/54/12/04/658541204.db2.gz QPWQCQRMFZYGTF-LBPRGKRZSA-N 1 0 391.253 1.843 20 0 GDADRO COC(=O)[C@H]1[C@H](C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C1(F)F ZINC000894354569 658543745 /nfs/dbraw/zinc/54/37/45/658543745.db2.gz MRZFICLUMISUAO-OIBJUYFYSA-N 1 0 388.845 1.324 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2cn3ccnc3s2)c1 ZINC000894383921 658548779 /nfs/dbraw/zinc/54/87/79/658548779.db2.gz 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O[C@@H]1CC[N@@H+](C2CCN(Cc3sc(N4CCOCC4)nc3Cl)CC2)C1 ZINC000895340902 658688164 /nfs/dbraw/zinc/68/81/64/658688164.db2.gz ASIHINMIMYOEAH-CQSZACIVSA-N 1 0 386.949 1.664 20 0 GDADRO NS(=O)(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c2ncccc12 ZINC000895572388 658712339 /nfs/dbraw/zinc/71/23/39/658712339.db2.gz USFRSTAKFQNKAD-UKRRQHHQSA-N 1 0 378.523 1.874 20 0 GDADRO CC(=O)Nc1cc(Br)ccc1C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000895698661 658721872 /nfs/dbraw/zinc/72/18/72/658721872.db2.gz KNIJKUVGWBSPEX-CALCHBBNSA-N 1 0 394.269 1.892 20 0 GDADRO CC(=O)Nc1cc(Br)ccc1C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000895698663 658722116 /nfs/dbraw/zinc/72/21/16/658722116.db2.gz KNIJKUVGWBSPEX-IRXDYDNUSA-N 1 0 394.269 1.892 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000895809757 658730777 /nfs/dbraw/zinc/73/07/77/658730777.db2.gz ACIJZWCZENERKP-UHFFFAOYSA-N 1 0 375.535 1.693 20 0 GDADRO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3c(I)cnn3C)O2)CO1 ZINC000895819691 658731738 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Cn1cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c(Br)n1 ZINC000896780562 658807817 /nfs/dbraw/zinc/80/78/17/658807817.db2.gz FKKCEHVPZMLUCT-UHFFFAOYSA-N 1 0 385.306 1.900 20 0 GDADRO CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)C1 ZINC000896896778 658812923 /nfs/dbraw/zinc/81/29/23/658812923.db2.gz GZFZKQTZNRFLBM-PBHICJAKSA-N 1 0 376.519 1.569 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(c3c(F)cc(S(N)(=O)=O)cc3Br)C[C@]2(C)C1 ZINC000896913319 658813691 /nfs/dbraw/zinc/81/36/91/658813691.db2.gz QEJWYUKQVZVDKK-OTYXRUKQSA-N 1 0 392.294 1.624 20 0 GDADRO O=C(Nc1ccncc1I)C1C[NH+](C2CCOCC2)C1 ZINC000896967137 658815561 /nfs/dbraw/zinc/81/55/61/658815561.db2.gz JBTAPJZONKOQAJ-UHFFFAOYSA-N 1 0 387.221 1.157 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897016050 658819314 /nfs/dbraw/zinc/81/93/14/658819314.db2.gz MTMNKKJDMGEYSS-UONOGXRCSA-N 1 0 399.285 1.026 20 0 GDADRO CCOC(=O)c1nc(N2CCN(C)CC[N@H+](C)CC2)ccc1Br ZINC000897095446 658826592 /nfs/dbraw/zinc/82/65/92/658826592.db2.gz UELAVOPAMBBDPX-UHFFFAOYSA-N 1 0 385.306 1.704 20 0 GDADRO O=C(NCC[N@@H+]1CCCOCC1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897502889 658858066 /nfs/dbraw/zinc/85/80/66/658858066.db2.gz RENYQDSZBJIYRU-OAHLLOKOSA-N 1 0 397.269 1.369 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)COCCc2ccc(Br)cc2)CC1 ZINC000897598340 658870335 /nfs/dbraw/zinc/87/03/35/658870335.db2.gz RHBVYTAPUVBUFQ-UHFFFAOYSA-N 1 0 398.345 1.762 20 0 GDADRO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)[C@@]12CC[N@H+](C1)CCC2 ZINC000897649907 658876537 /nfs/dbraw/zinc/87/65/37/658876537.db2.gz CRGPUNURMJPJBI-KRWDZBQOSA-N 1 0 385.917 1.611 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCCc1sccc1Br ZINC000898318688 658925419 /nfs/dbraw/zinc/92/54/19/658925419.db2.gz SLUZNKFUNBXPDF-UHFFFAOYSA-N 1 0 376.320 1.579 20 0 GDADRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)C1 ZINC000898355499 658928432 /nfs/dbraw/zinc/92/84/32/658928432.db2.gz BBTKABAYHMAADY-BXUZGUMPSA-N 1 0 397.273 1.636 20 0 GDADRO Brc1cnc2n1C[C@H]([NH2+]Cc1cn(C[C@H]3CCOC3)nn1)CC2 ZINC000898719677 658951863 /nfs/dbraw/zinc/95/18/63/658951863.db2.gz HPPIIDFDTWDOJS-VXGBXAGGSA-N 1 0 381.278 1.378 20 0 GDADRO Brc1cnc2n1C[C@H]([NH2+]Cc1cn(C[C@@H]3CCCO3)nn1)CC2 ZINC000898719962 658951887 /nfs/dbraw/zinc/95/18/87/658951887.db2.gz JGCAKNJQGISNOB-YPMHNXCESA-N 1 0 381.278 1.521 20 0 GDADRO C[N@H+](CCO)CCNC(=O)c1cc(Br)sc1Br ZINC000899733837 659056885 /nfs/dbraw/zinc/05/68/85/659056885.db2.gz KKXXGPFZVYPHDM-UHFFFAOYSA-N 1 0 386.109 1.927 20 0 GDADRO [NH3+]C1CCN(CCc2cn(Cc3ccc(F)nc3Br)nn2)CC1 ZINC000899745856 659058245 /nfs/dbraw/zinc/05/82/45/659058245.db2.gz RATRSBDFACGVIT-UHFFFAOYSA-N 1 0 383.269 1.589 20 0 GDADRO COc1cc(Br)c(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1OC ZINC000900518586 659117922 /nfs/dbraw/zinc/11/79/22/659117922.db2.gz QCFSQEUJNCXPII-MEDUHNTESA-N 1 0 387.274 1.538 20 0 GDADRO C[NH+]1CCC(NCc2cn(C[C@@H](O)c3cccc(Br)c3)nn2)CC1 ZINC000900581715 659124168 /nfs/dbraw/zinc/12/41/68/659124168.db2.gz KSMJYRINAZFPCI-QGZVFWFLSA-N 1 0 394.317 1.958 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000900688038 659136451 /nfs/dbraw/zinc/13/64/51/659136451.db2.gz WCZFTGDUEUHYBS-XJKSGUPXSA-N 1 0 384.318 1.625 20 0 GDADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cn1nc(Br)c(Br)n1 ZINC000900691900 659137488 /nfs/dbraw/zinc/13/74/88/659137488.db2.gz CMZLTOWMIONZED-MRVPVSSYSA-N 1 0 397.115 1.506 20 0 GDADRO C[N@@H+]1CCCN(CCCNC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000900695075 659138207 /nfs/dbraw/zinc/13/82/07/659138207.db2.gz KJBAUJIVRFMNDX-UHFFFAOYSA-N 1 0 384.322 1.349 20 0 GDADRO NS(=O)(=O)c1ccc(SCC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000900793244 659145921 /nfs/dbraw/zinc/14/59/21/659145921.db2.gz LWOAMOYISFTGKL-CQSZACIVSA-N 1 0 383.539 1.370 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2csc(S[C@H](C)C(N)=O)n2)C[C@@H]1C ZINC000900797798 659146332 /nfs/dbraw/zinc/14/63/32/659146332.db2.gz ABJYSYXNFZCKSE-SCRDCRAPSA-N 1 0 384.571 1.983 20 0 GDADRO C[C@@H](NC(=O)c1csc(I)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000900801203 659147056 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C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cn1nc(Br)c(Br)n1 ZINC000901307870 659209050 /nfs/dbraw/zinc/20/90/50/659209050.db2.gz OHMJQEFVSHZECL-YUMQZZPRSA-N 1 0 395.099 1.354 20 0 GDADRO COc1c[nH]c(CO)c(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1=O ZINC000902125184 659246409 /nfs/dbraw/zinc/24/64/09/659246409.db2.gz OMEBMACUTMXMEI-UHFFFAOYSA-N 1 0 397.273 1.672 20 0 GDADRO CCS(=O)(=O)NC1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000903006328 659289170 /nfs/dbraw/zinc/28/91/70/659289170.db2.gz LKYSEAJJIQMKIZ-AWEZNQCLSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@H](CCCCO)[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000903149354 659297049 /nfs/dbraw/zinc/29/70/49/659297049.db2.gz ZNSXGRKNIMXQGD-CABCVRRESA-N 1 0 378.535 1.551 20 0 GDADRO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903229862 659307785 /nfs/dbraw/zinc/30/77/85/659307785.db2.gz QPULIEBBDAQNPV-NVXWUHKLSA-N 1 0 387.571 1.544 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000903290873 659312486 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GDADRO COc1cc(Br)c(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000903540065 659333709 /nfs/dbraw/zinc/33/37/09/659333709.db2.gz MFRBDARCLFWQFM-ZJUUUORDSA-N 1 0 393.303 1.600 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c1 ZINC000903543052 659334677 /nfs/dbraw/zinc/33/46/77/659334677.db2.gz OJCKFANATCQAPR-UHFFFAOYSA-N 1 0 393.303 1.586 20 0 GDADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903542840 659334840 /nfs/dbraw/zinc/33/48/40/659334840.db2.gz NCTAQQWNIRJSNZ-UHFFFAOYSA-N 1 0 376.862 1.255 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000903542205 659334852 /nfs/dbraw/zinc/33/48/52/659334852.db2.gz GKTVVMQJSFLAGZ-UHFFFAOYSA-N 1 0 381.267 1.717 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000903544703 659335756 /nfs/dbraw/zinc/33/57/56/659335756.db2.gz VILMLMJQTNYBSA-GFCCVEGCSA-N 1 0 379.404 1.537 20 0 GDADRO COc1c(F)cc(S(=O)(=O)N2CC[NH2+]CCC23CCOCC3)cc1F ZINC000903550419 659338332 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378.416 1.705 20 0 GDADRO CN(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903579552 659350137 /nfs/dbraw/zinc/35/01/37/659350137.db2.gz OWBDSEBXMMZGFM-OLZOCXBDSA-N 1 0 379.404 1.289 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c(Br)c1 ZINC000903585070 659353555 /nfs/dbraw/zinc/35/35/55/659353555.db2.gz XNEQJENCOALZLA-GFCCVEGCSA-N 1 0 391.287 1.594 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903591141 659356657 /nfs/dbraw/zinc/35/66/57/659356657.db2.gz IIGUMMYGZIGYBN-UHFFFAOYSA-N 1 0 393.303 1.937 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC000903592189 659356664 /nfs/dbraw/zinc/35/66/64/659356664.db2.gz XKOKLXIKLAMATQ-YOEHRIQHSA-N 1 0 387.933 1.782 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC000903593792 659357620 /nfs/dbraw/zinc/35/76/20/659357620.db2.gz VWHMWTVSJGOJKY-CQSZACIVSA-N 1 0 375.288 1.974 20 0 GDADRO CN(C)c1cc(NS(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)cc[nH+]1 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20 0 GDADRO O=C(Nc1ccncc1I)NC1(C2CC[NH2+]CC2)CC1 ZINC000904409596 659400190 /nfs/dbraw/zinc/40/01/90/659400190.db2.gz DCLNXYZMJYKRMD-UHFFFAOYSA-N 1 0 386.237 1.762 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)CC1(O)CCCCC1)c1cccc(Cl)c1 ZINC000905039656 659418727 /nfs/dbraw/zinc/41/87/27/659418727.db2.gz WMMPOCXGRBXQPN-OAHLLOKOSA-N 1 0 390.933 1.654 20 0 GDADRO O=C(NCC[NH2+]C[C@@H](O)CCC1(O)CCC1)c1cccc(Br)c1 ZINC000905083349 659421226 /nfs/dbraw/zinc/42/12/26/659421226.db2.gz WOWGEQJVBSWFGX-HNNXBMFYSA-N 1 0 385.302 1.825 20 0 GDADRO Cc1cc(NS(=O)(=O)N=S2(=O)CCCC2)ccc1OCC[NH+](C)C ZINC000905102744 659423998 /nfs/dbraw/zinc/42/39/98/659423998.db2.gz PMPRYEGSVGOBST-UHFFFAOYSA-N 1 0 375.516 1.854 20 0 GDADRO O[C@H](C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)C[C@@]1(O)CCOC1 ZINC000905132993 659426176 /nfs/dbraw/zinc/42/61/76/659426176.db2.gz OMCPCPGMHYGSCM-FZMZJTMJSA-N 1 0 384.782 1.625 20 0 GDADRO COCCC1(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCC1 ZINC000905171288 659428955 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COCC1(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCCC1 ZINC000905279514 659439068 /nfs/dbraw/zinc/43/90/68/659439068.db2.gz JWTDPFOUCRUMMW-HNNXBMFYSA-N 1 0 376.563 1.784 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C2(C)C)c(Br)o1 ZINC000905353707 659446178 /nfs/dbraw/zinc/44/61/78/659446178.db2.gz IXVOOLWUFGUJAN-VIFPVBQESA-N 1 0 381.248 1.248 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000905359424 659447093 /nfs/dbraw/zinc/44/70/93/659447093.db2.gz UVPUEKPPBHCBDP-LBPRGKRZSA-N 1 0 391.287 1.655 20 0 GDADRO C[C@](O)(C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)C(F)(F)C(F)(F)F ZINC000905364445 659447843 /nfs/dbraw/zinc/44/78/43/659447843.db2.gz JMXAIQUXQOZCNV-WPRPVWTQSA-N 1 0 397.387 1.421 20 0 GDADRO OC[C@H](C[NH2+]C[C@@H](O)C1(O)CCC1)Cc1ccc(F)c(Br)c1 ZINC000905373919 659449066 /nfs/dbraw/zinc/44/90/66/659449066.db2.gz RXILCDVASCQZAP-SWLSCSKDSA-N 1 0 376.266 1.605 20 0 GDADRO O[C@@H](C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)C[C@]1(O)CCOC1 ZINC000905476959 659456519 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CCN(CCC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)S(C)(=O)=O ZINC000380433528 677677081 /nfs/dbraw/zinc/67/70/81/677677081.db2.gz CYTRVXDRKFHMEC-GJZGRUSLSA-N 1 0 377.551 1.941 20 0 GDADRO Cn1nnc(Br)c1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390804961 677677775 /nfs/dbraw/zinc/67/77/75/677677775.db2.gz YGKATHIRSZTCPJ-ZDUSSCGKSA-N 1 0 378.274 1.972 20 0 GDADRO O=S(=O)(c1ccccc1C[NH2+]C1CCS(=O)(=O)CC1)N1CCCCC1 ZINC000463112321 677678545 /nfs/dbraw/zinc/67/85/45/677678545.db2.gz KVJYLTJCJIMXTC-UHFFFAOYSA-N 1 0 386.539 1.528 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C(F)(F)F)ns1 ZINC001055295157 677679919 /nfs/dbraw/zinc/67/99/19/677679919.db2.gz VRRKLAAJAVYMQY-ZNSHCXBVSA-N 1 0 375.420 1.877 20 0 GDADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164400237 718843092 /nfs/dbraw/zinc/84/30/92/718843092.db2.gz TYIPXMCRAIDVNE-LLVKDONJSA-N 1 0 375.807 1.466 20 0 GDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)cc1C(N)=O ZINC001164615292 719016854 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Cn1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)cc1Cl ZINC001571274567 945696477 /nfs/dbraw/zinc/69/64/77/945696477.db2.gz HCYADQVIPFRXDE-ZDUSSCGKSA-N 1 0 386.847 1.258 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571275614 945710876 /nfs/dbraw/zinc/71/08/76/945710876.db2.gz YTJZSNITBCSIGM-ZUZCIYMTSA-N 1 0 387.394 1.866 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCO3)C2)cc1-c1nn[nH]n1 ZINC001571275768 945714064 /nfs/dbraw/zinc/71/40/64/945714064.db2.gz CBEDUQBCSLNAAZ-YOEHRIQHSA-N 1 0 386.456 1.135 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCOC3)C2)cc1-c1nn[nH]n1 ZINC001571276087 945722567 /nfs/dbraw/zinc/72/25/67/945722567.db2.gz HAYODAUQVSTKPG-KFWWJZLASA-N 1 0 386.456 1.039 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001571276243 945727912 /nfs/dbraw/zinc/72/79/12/945727912.db2.gz FZLINPZQGXIJFF-LLVKDONJSA-N 1 0 387.394 1.725 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2F)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571277819 945746080 /nfs/dbraw/zinc/74/60/80/945746080.db2.gz TWQBUGFMHZRERN-UMSPYCQHSA-N 1 0 387.394 1.771 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@]2(C1)CN(C(C)=O)C[C@H](C)O2 ZINC001571278367 945751862 /nfs/dbraw/zinc/75/18/62/945751862.db2.gz MZKBRUXEQUDFGX-DJJJIMSYSA-N 1 0 386.456 1.087 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821625476 945756189 /nfs/dbraw/zinc/75/61/89/945756189.db2.gz OREGZGFCBIUIET-JKSUJKDBSA-N 1 0 380.456 1.975 20 0 GDADRO COCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC001571278665 945758948 /nfs/dbraw/zinc/75/89/48/945758948.db2.gz QKLQJFAHJVNHPS-HZPDHXFCSA-N 1 0 386.456 1.087 20 0 GDADRO CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001571281203 945800138 /nfs/dbraw/zinc/80/01/38/945800138.db2.gz FGFLGRXUCHHLCT-ZFWWWQNUSA-N 1 0 387.488 1.452 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1cncs1 ZINC001571281831 945818476 /nfs/dbraw/zinc/81/84/76/945818476.db2.gz AVIKZDKRQASZIE-MJHDQNEOSA-N 1 0 387.444 1.761 20 0 GDADRO O=C(c1cncs1)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571282323 945840366 /nfs/dbraw/zinc/84/03/66/945840366.db2.gz GYOMJTNTGDVMIF-GFCCVEGCSA-N 1 0 387.444 1.857 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571282695 945860391 /nfs/dbraw/zinc/86/03/91/945860391.db2.gz NTHDGTPNOBDYGD-GHMZBOCLSA-N 1 0 387.444 1.704 20 0 GDADRO CO[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001571283904 945893929 /nfs/dbraw/zinc/89/39/29/945893929.db2.gz KPTDDBAORCJKFC-AUUYWEPGSA-N 1 0 387.488 1.548 20 0 GDADRO O=C(C1CCCC1)N1CCO[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287243 945970369 /nfs/dbraw/zinc/97/03/69/945970369.db2.gz BMSABVRRKVOZBF-MRXNPFEDSA-N 1 0 388.447 1.513 20 0 GDADRO CC1(NC(=O)[C@H]2CCCO2)CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571287626 945975629 /nfs/dbraw/zinc/97/56/29/945975629.db2.gz GHDIBAJNFJPHLP-MRXNPFEDSA-N 1 0 388.447 1.656 20 0 GDADRO O=C(c1csnn1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571287652 945976165 /nfs/dbraw/zinc/97/61/65/945976165.db2.gz GYGYWYCZAJBVJD-NSHDSACASA-N 1 0 388.432 1.109 20 0 GDADRO CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC2(CCOCC2)C1 ZINC001571288557 945988275 /nfs/dbraw/zinc/98/82/75/945988275.db2.gz QLYBQYHPAXIQGX-INIZCTEOSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001571288496 945988786 /nfs/dbraw/zinc/98/87/86/945988786.db2.gz PPLMRSAWLGOVLM-RMIITELYSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCOC1 ZINC001571288770 945992420 /nfs/dbraw/zinc/99/24/20/945992420.db2.gz TUGZONGSHWKFMX-BEFAXECRSA-N 1 0 388.447 1.513 20 0 GDADRO CN(C(=O)C1(F)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571288965 945995082 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O=C1OCC[C@@H]1CC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000823551328 946444718 /nfs/dbraw/zinc/44/47/18/946444718.db2.gz MZNDUODWLKOKLL-AWEZNQCLSA-N 1 0 393.451 1.490 20 0 GDADRO O=S(=O)(CCN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562254 946447443 /nfs/dbraw/zinc/44/74/43/946447443.db2.gz PPPYNURARBBRLX-HNNXBMFYSA-N 1 0 390.513 1.058 20 0 GDADRO COc1ccccc1CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571310549 946476112 /nfs/dbraw/zinc/47/61/12/946476112.db2.gz IXNZJFVRFZJNCO-QGZVFWFLSA-N 1 0 392.463 1.809 20 0 GDADRO C[N@H+](CCNC(=O)c1cccc(CNc2ncccc2-c2nn[nH]n2)c1)C1CC1 ZINC001571312967 946507503 /nfs/dbraw/zinc/50/75/03/946507503.db2.gz GKMSYYQLYCENKO-UHFFFAOYSA-N 1 0 392.467 1.698 20 0 GDADRO Cc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)nn1 ZINC001571315140 946547464 /nfs/dbraw/zinc/54/74/64/946547464.db2.gz GQUHSCQNTJNIHT-DOTOQJQBSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c(C)nn1 ZINC001571314942 946547701 /nfs/dbraw/zinc/54/77/01/946547701.db2.gz DXRVNLOXUNYMOV-MRXNPFEDSA-N 1 0 392.467 1.525 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nc1C ZINC001571315586 946556813 /nfs/dbraw/zinc/55/68/13/946556813.db2.gz LXBBENBOCXUKRS-HUUCEWRRSA-N 1 0 392.467 1.658 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571316266 946571670 /nfs/dbraw/zinc/57/16/70/946571670.db2.gz XTYGJVRGNFDSGH-UHFFFAOYSA-N 1 0 392.467 1.636 20 0 GDADRO CC(C)(C)N1C[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824094387 946584803 /nfs/dbraw/zinc/58/48/03/946584803.db2.gz SIUHFHZKTYYBHE-SFHVURJKSA-N 1 0 397.527 1.820 20 0 GDADRO O=C(Cc1ncc[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571317076 946599790 /nfs/dbraw/zinc/59/97/90/946599790.db2.gz UWCWQJQVQJESII-SJORKVTESA-N 1 0 392.467 1.398 20 0 GDADRO O=C(c1cn2c(n1)CCC2)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317316 946607110 /nfs/dbraw/zinc/60/71/10/946607110.db2.gz CGPVDGLRVFMZRP-INIZCTEOSA-N 1 0 392.467 1.404 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCc2n[nH]cc2C1 ZINC001571317687 946618483 /nfs/dbraw/zinc/61/84/83/946618483.db2.gz QVMWLQUUIQQSRL-BHYGNILZSA-N 1 0 392.467 1.132 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1n[nH]c2c1CCCC2 ZINC001571317797 946621383 /nfs/dbraw/zinc/62/13/83/946621383.db2.gz VZJCDVVTSCYWSF-OKILXGFUSA-N 1 0 392.467 1.519 20 0 GDADRO CC[C@H](C(=O)N1CC[C@@](C)(CNc2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571317820 946621542 /nfs/dbraw/zinc/62/15/42/946621542.db2.gz WIPVNKMLCJTVED-PXAZEXFGSA-N 1 0 392.533 1.622 20 0 GDADRO Brc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001573279063 946630144 /nfs/dbraw/zinc/63/01/44/946630144.db2.gz DJWUSKKFPIDXEQ-DYEKYZERSA-N 1 0 380.246 1.523 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000824305471 946649645 /nfs/dbraw/zinc/64/96/45/946649645.db2.gz QTCYCUMLKPBORG-WMZOPIPTSA-N 1 0 383.500 1.825 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000824377652 946672911 /nfs/dbraw/zinc/67/29/11/946672911.db2.gz KHEKCOHYKBHTGF-LLVKDONJSA-N 1 0 382.465 1.357 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000824413327 946695862 /nfs/dbraw/zinc/69/58/62/946695862.db2.gz KRMGDKXLISQFFT-OAHLLOKOSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824868934 946963751 /nfs/dbraw/zinc/96/37/51/946963751.db2.gz XSPOXVZDTQRJJL-CRAIPNDOSA-N 1 0 384.484 1.716 20 0 GDADRO C[C@@H]1CN(CC[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824984670 947021441 /nfs/dbraw/zinc/02/14/41/947021441.db2.gz LZDUYOSXSPTKJM-MRXNPFEDSA-N 1 0 385.516 1.141 20 0 GDADRO C[C@H]1C[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC(C)(C)C1 ZINC000824984982 947024833 /nfs/dbraw/zinc/02/48/33/947024833.db2.gz PZFBGSXVZFXOAB-CQSZACIVSA-N 1 0 397.483 1.956 20 0 GDADRO C[C@H]1COCCN1CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825007221 947042827 /nfs/dbraw/zinc/04/28/27/947042827.db2.gz XOJYPKRADDEYQW-INIZCTEOSA-N 1 0 385.516 1.141 20 0 GDADRO CCCn1ncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)c1C1CC1 ZINC000825362795 947164084 /nfs/dbraw/zinc/16/40/84/947164084.db2.gz RCBNBUZVMOUTFP-UHFFFAOYSA-N 1 0 398.475 1.478 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000825390205 947172713 /nfs/dbraw/zinc/17/27/13/947172713.db2.gz AUAQQGPUMDIELB-CRAIPNDOSA-N 1 0 383.500 1.636 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)Cc1noc(C)c1-c1nn[nH]n1)c1ccccc1 ZINC000825406109 947176843 /nfs/dbraw/zinc/17/68/43/947176843.db2.gz JUTJNQKLQSQUAC-MRXNPFEDSA-N 1 0 383.456 1.905 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573591535 947314134 /nfs/dbraw/zinc/31/41/34/947314134.db2.gz CJZOUSZXLSMWCA-STQMWFEESA-N 1 0 375.477 1.199 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](c2ccccc2)C2CC2)c1-c1nn[nH]n1 ZINC000826073380 947424914 /nfs/dbraw/zinc/42/49/14/947424914.db2.gz PYMBLFPFFXPMSX-OAHLLOKOSA-N 1 0 380.456 1.874 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573595931 947426946 /nfs/dbraw/zinc/42/69/46/947426946.db2.gz HSZLZHSVUYGFOC-TZMCWYRMSA-N 1 0 392.479 1.597 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC001573596866 947432582 /nfs/dbraw/zinc/43/25/82/947432582.db2.gz LSSLHZNXQFFOAS-KDOFPFPSSA-N 1 0 386.500 1.602 20 0 GDADRO COCCO[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826160175 947502688 /nfs/dbraw/zinc/50/26/88/947502688.db2.gz HZOSLDDKVSXFAH-GOSISDBHSA-N 1 0 397.483 1.895 20 0 GDADRO C[C@@H](C(=O)N(C)CCOCCNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573604231 947507733 /nfs/dbraw/zinc/50/77/33/947507733.db2.gz MSZVTIGVAXJRRI-ZDUSSCGKSA-N 1 0 375.477 1.253 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1-c1nn[nH]n1 ZINC000826194317 947590721 /nfs/dbraw/zinc/59/07/21/947590721.db2.gz IWVDQAGBEXAPEU-DOTOQJQBSA-N 1 0 383.456 1.697 20 0 GDADRO C[C@@H](C(=O)N1CCC(N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573614888 947595729 /nfs/dbraw/zinc/59/57/29/947595729.db2.gz BHKOMLKKMQWOBS-CQSZACIVSA-N 1 0 392.467 1.888 20 0 GDADRO C[C@H](C(=O)N1CCC(N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573614887 947595848 /nfs/dbraw/zinc/59/58/48/947595848.db2.gz BHKOMLKKMQWOBS-AWEZNQCLSA-N 1 0 392.467 1.888 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccn1 ZINC001573616971 947631745 /nfs/dbraw/zinc/63/17/45/947631745.db2.gz KHMJLRCPNDOCFO-SWLSCSKDSA-N 1 0 384.419 1.154 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573619750 947669006 /nfs/dbraw/zinc/66/90/06/947669006.db2.gz XQEPWGCXXNQSGJ-DOTOQJQBSA-N 1 0 379.468 1.962 20 0 GDADRO Cc1c(Cl)cnc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1-c1nn[nH]n1 ZINC000826237121 947695008 /nfs/dbraw/zinc/69/50/08/947695008.db2.gz OOOHOGKZQAEKED-LLVKDONJSA-N 1 0 379.896 1.753 20 0 GDADRO C/C(=C\C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C1CC1 ZINC001573361847 947696137 /nfs/dbraw/zinc/69/61/37/947696137.db2.gz FUMPBWVLNQAWKH-NQNZFTEYSA-N 1 0 382.468 1.274 20 0 GDADRO Cc1c(Cl)cnc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1-c1nn[nH]n1 ZINC000826237945 947700164 /nfs/dbraw/zinc/70/01/64/947700164.db2.gz RBYUMGVLLBINRV-AWEZNQCLSA-N 1 0 390.923 1.830 20 0 GDADRO Cc1c(Cl)cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c1-c1nn[nH]n1 ZINC000826240943 947713703 /nfs/dbraw/zinc/71/37/03/947713703.db2.gz MLYFLAPBMCECDW-VIFPVBQESA-N 1 0 391.892 1.970 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573630815 947797639 /nfs/dbraw/zinc/79/76/39/947797639.db2.gz SOQAGQPOBHEWPT-GJZGRUSLSA-N 1 0 392.467 1.533 20 0 GDADRO C[C@H](C(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573630817 947797751 /nfs/dbraw/zinc/79/77/51/947797751.db2.gz SOQAGQPOBHEWPT-LSDHHAIUSA-N 1 0 392.467 1.533 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000826279454 947804665 /nfs/dbraw/zinc/80/46/65/947804665.db2.gz QGHNPAJTBLHTCY-ZDUSSCGKSA-N 1 0 378.502 1.526 20 0 GDADRO C[C@H](C(=O)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(C)C ZINC001573637421 947812387 /nfs/dbraw/zinc/81/23/87/947812387.db2.gz CGLPXXNJVQNCMZ-KGLIPLIRSA-N 1 0 387.488 1.395 20 0 GDADRO CC(=O)CCCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573377730 947852952 /nfs/dbraw/zinc/85/29/52/947852952.db2.gz RRXXFFZMNOPLOP-CYBMUJFWSA-N 1 0 392.485 1.005 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1CCCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573380890 947865303 /nfs/dbraw/zinc/86/53/03/947865303.db2.gz JIEWEZISKNMOAA-HNNXBMFYSA-N 1 0 385.472 1.805 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C(C)(C)C ZINC001573644074 947867793 /nfs/dbraw/zinc/86/77/93/947867793.db2.gz XTFJOHBFTNCDCT-STQMWFEESA-N 1 0 392.529 1.927 20 0 GDADRO Cc1onc(CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1-c1nn[nH]n1 ZINC000826307835 947884564 /nfs/dbraw/zinc/88/45/64/947884564.db2.gz YASXSMHLENMDDC-UHFFFAOYSA-N 1 0 395.467 1.749 20 0 GDADRO CC(=O)CCCC(=O)NCC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001573382542 947885997 /nfs/dbraw/zinc/88/59/97/947885997.db2.gz IHGBNKFYWWZFPG-UKRRQHHQSA-N 1 0 385.472 1.600 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[nH]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573647586 947898495 /nfs/dbraw/zinc/89/84/95/947898495.db2.gz PQHKETMEWXZRBP-IIAWOOMASA-N 1 0 399.503 1.180 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)C(C)(F)F ZINC001573650977 947914924 /nfs/dbraw/zinc/91/49/24/947914924.db2.gz HDDVLQXHPJTMBA-UPJWGTAASA-N 1 0 391.426 1.838 20 0 GDADRO Cc1noc(CCC[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826339787 947976131 /nfs/dbraw/zinc/97/61/31/947976131.db2.gz TYSKKSUIKPUWKP-UHFFFAOYSA-N 1 0 382.472 1.745 20 0 GDADRO C[C@H](C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573656193 947985508 /nfs/dbraw/zinc/98/55/08/947985508.db2.gz DIAJJPKRFVWSHH-AWEZNQCLSA-N 1 0 392.467 1.936 20 0 GDADRO C[C@@H](C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573656834 947993838 /nfs/dbraw/zinc/99/38/38/947993838.db2.gz IPTXVZJKWNBNGM-JTQLQIEISA-N 1 0 383.378 1.935 20 0 GDADRO Cc1onc(CC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1-c1nn[nH]n1 ZINC000826346382 948037321 /nfs/dbraw/zinc/03/73/21/948037321.db2.gz LDFFCZLTWWSFGY-LBPRGKRZSA-N 1 0 396.455 1.442 20 0 GDADRO Cc1onc(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000826348151 948068929 /nfs/dbraw/zinc/06/89/29/948068929.db2.gz XGZQDNXCNXEMIV-UHFFFAOYSA-N 1 0 381.440 1.618 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573665266 948070608 /nfs/dbraw/zinc/07/06/08/948070608.db2.gz JZRYKPBKXIRMOH-PBHICJAKSA-N 1 0 380.456 1.405 20 0 GDADRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826364198 948139820 /nfs/dbraw/zinc/13/98/20/948139820.db2.gz NUZABBHHRDZULJ-SFHVURJKSA-N 1 0 397.483 1.815 20 0 GDADRO CC(=O)N1C[C@H](C)OC2(CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)C1 ZINC001573427386 948164206 /nfs/dbraw/zinc/16/42/06/948164206.db2.gz WXOIZJFBVHISAR-ZDUSSCGKSA-N 1 0 388.447 1.608 20 0 GDADRO CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573433605 948203298 /nfs/dbraw/zinc/20/32/98/948203298.db2.gz MMKAAUBZOAMQFR-DOTOQJQBSA-N 1 0 390.513 1.824 20 0 GDADRO CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573434170 948209581 /nfs/dbraw/zinc/20/95/81/948209581.db2.gz POXJTXRJMYDERO-OALUTQOASA-N 1 0 384.484 1.762 20 0 GDADRO CC(=O)N1CCC([C@@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC001573435260 948225930 /nfs/dbraw/zinc/22/59/30/948225930.db2.gz VDIAMORZDVZMKR-MOPGFXCFSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573691333 948239586 /nfs/dbraw/zinc/23/95/86/948239586.db2.gz FHGRAEXTROXZPO-ZDUSSCGKSA-N 1 0 383.431 1.807 20 0 GDADRO C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)nc2)CC1)[NH+]1CCCCCC1 ZINC001573691982 948252452 /nfs/dbraw/zinc/25/24/52/948252452.db2.gz KHBMIFIOAABOFR-AWEZNQCLSA-N 1 0 384.488 1.587 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)n1cccn1 ZINC001573693762 948286315 /nfs/dbraw/zinc/28/63/15/948286315.db2.gz YWZLZAFRIFUIFL-GFCCVEGCSA-N 1 0 384.419 1.202 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccsc1 ZINC001573695691 948308996 /nfs/dbraw/zinc/30/89/96/948308996.db2.gz YMWPYIOUTJVOPO-CMPLNLGQSA-N 1 0 392.510 1.360 20 0 GDADRO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573696151 948318312 /nfs/dbraw/zinc/31/83/12/948318312.db2.gz LONSHXYIDWKIJA-HXPMCKFVSA-N 1 0 388.447 1.105 20 0 GDADRO C[C@H](C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573696496 948326424 /nfs/dbraw/zinc/32/64/24/948326424.db2.gz RHBZDBLQHOQNNK-MXWWQKGMSA-N 1 0 379.468 1.914 20 0 GDADRO O=C1[C@H](N2CC[C@H]([NH+]3CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476085 948377771 /nfs/dbraw/zinc/37/77/71/948377771.db2.gz AHQOZHSMGQOEAV-ZWKOTPCHSA-N 1 0 381.484 1.532 20 0 GDADRO O=C1[C@H](N2CC[C@H](C[NH+]3CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476380 948379359 /nfs/dbraw/zinc/37/93/59/948379359.db2.gz GGMXLXAZUREIMM-VQIMIIECSA-N 1 0 395.511 1.780 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)c1cccnc1 ZINC001573732062 948600484 /nfs/dbraw/zinc/60/04/84/948600484.db2.gz KPCBUBZDVMEUCB-STQMWFEESA-N 1 0 383.431 1.799 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573746065 948677389 /nfs/dbraw/zinc/67/73/89/948677389.db2.gz IYGKUAVVSQFPIX-YOEHRIQHSA-N 1 0 377.452 1.756 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C)n1cccn1 ZINC001573748057 948694020 /nfs/dbraw/zinc/69/40/20/948694020.db2.gz ZTWNCWVEEAHRCS-KEYYUXOJSA-N 1 0 380.456 1.403 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573748860 948697541 /nfs/dbraw/zinc/69/75/41/948697541.db2.gz VUNHJULFQARMCN-CWRNSKLLSA-N 1 0 384.488 1.585 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@H]1CCCO1 ZINC001573751596 948703668 /nfs/dbraw/zinc/70/36/68/948703668.db2.gz BRNUCHHJVADEHL-LSCFUAHRSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@H](CNC(=O)CCc1c[nH]cn1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574914490 948751996 /nfs/dbraw/zinc/75/19/96/948751996.db2.gz KZZHPQLIUXDQAP-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@@H](CNC(=O)CCc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574914877 948756868 /nfs/dbraw/zinc/75/68/68/948756868.db2.gz OKIPIUJWFKEPJT-ZDUSSCGKSA-N 1 0 383.431 1.628 20 0 GDADRO CC(F)(F)C1(C(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001575224754 948791604 /nfs/dbraw/zinc/79/16/04/948791604.db2.gz YHSZWZDPRUCQLU-NSHDSACASA-N 1 0 377.399 1.522 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574917074 948805659 /nfs/dbraw/zinc/80/56/59/948805659.db2.gz QAJUFXCHCPVSRM-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO CC(F)(F)CC(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575226973 948825414 /nfs/dbraw/zinc/82/54/14/948825414.db2.gz QJNCDDLLYFZOBZ-LLVKDONJSA-N 1 0 382.390 1.989 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574917800 948826396 /nfs/dbraw/zinc/82/63/96/948826396.db2.gz BURWGHKGBAQSCZ-CYBMUJFWSA-N 1 0 375.452 1.798 20 0 GDADRO C[C@H](CNC(=O)CCCn1ccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574918244 948839501 /nfs/dbraw/zinc/83/95/01/948839501.db2.gz HRQVYIJVGKBLIV-CYBMUJFWSA-N 1 0 388.501 1.542 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCC1 ZINC001573763112 948862020 /nfs/dbraw/zinc/86/20/20/948862020.db2.gz BAUQXUZUDPJNGU-CQSZACIVSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574919217 948873066 /nfs/dbraw/zinc/87/30/66/948873066.db2.gz WTAVILZRKWQOKD-CYBMUJFWSA-N 1 0 377.468 1.284 20 0 GDADRO C[C@H](CNC(=O)CCc1cncs1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920006 948882767 /nfs/dbraw/zinc/88/27/67/948882767.db2.gz ADAHYIDIHLIMDL-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO CC(C)[C@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001574088155 948909145 /nfs/dbraw/zinc/90/91/45/948909145.db2.gz BDZSYFJLSDVDRO-OAHLLOKOSA-N 1 0 378.502 1.936 20 0 GDADRO C[C@@H](CNC(=O)CCc1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574921209 948917659 /nfs/dbraw/zinc/91/76/59/948917659.db2.gz VFQKOMBOLVTLQE-NSHDSACASA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573766033 948929322 /nfs/dbraw/zinc/92/93/22/948929322.db2.gz VAFQGVDHJSEFSX-CYBMUJFWSA-N 1 0 387.463 1.893 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574432900 948941595 /nfs/dbraw/zinc/94/15/95/948941595.db2.gz OSLSCUQURXQMNM-NWDGAFQWSA-N 1 0 381.444 1.216 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574432813 948941625 /nfs/dbraw/zinc/94/16/25/948941625.db2.gz DTJJWSQSWYSZFR-UHFFFAOYSA-N 1 0 382.472 1.585 20 0 GDADRO C[C@H](CNC(=O)CCn1cccn1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574923842 948959122 /nfs/dbraw/zinc/95/91/22/948959122.db2.gz SLTPYSZYNXNWEO-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001575242622 948986254 /nfs/dbraw/zinc/98/62/54/948986254.db2.gz JGUQXFMIJIFMBQ-FZKQIMNGSA-N 1 0 375.452 1.871 20 0 GDADRO CC(C)(C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)c1cccnc1 ZINC001573773697 948992817 /nfs/dbraw/zinc/99/28/17/948992817.db2.gz DUUAUGJPVQQJLO-UHFFFAOYSA-N 1 0 391.479 1.978 20 0 GDADRO CC(C)c1nnsc1C(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574440094 949021571 /nfs/dbraw/zinc/02/15/71/949021571.db2.gz NGWQZXVILBUQED-LLVKDONJSA-N 1 0 386.485 1.750 20 0 GDADRO C[C@@H](CNC(=O)CN(C)c1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574926762 949021825 /nfs/dbraw/zinc/02/18/25/949021825.db2.gz XAGFJGBNJSHWBX-HNNXBMFYSA-N 1 0 379.468 1.597 20 0 GDADRO C[C@@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574692649 949035081 /nfs/dbraw/zinc/03/50/81/949035081.db2.gz ABQBEFIALNPWNN-ZDUSSCGKSA-N 1 0 387.488 1.395 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573775438 949040415 /nfs/dbraw/zinc/04/04/15/949040415.db2.gz WPBHZRSCKYRGKN-CQSZACIVSA-N 1 0 376.436 1.009 20 0 GDADRO CC(C)(C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573779018 949053960 /nfs/dbraw/zinc/05/39/60/949053960.db2.gz CKAHSTOGICRQQR-SNVBAGLBSA-N 1 0 383.378 1.793 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1ncccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574694143 949069328 /nfs/dbraw/zinc/06/93/28/949069328.db2.gz LYQGNUHFRLRHNV-GOEBONIOSA-N 1 0 386.504 1.641 20 0 GDADRO CC(C)c1nocc1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574442720 949100778 /nfs/dbraw/zinc/10/07/78/949100778.db2.gz RWKQHSHOQAMXKU-OAHLLOKOSA-N 1 0 382.428 1.416 20 0 GDADRO CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573782753 949131417 /nfs/dbraw/zinc/13/14/17/949131417.db2.gz XRJXKSSWEJBIEP-AOOOYVTPSA-N 1 0 383.378 1.579 20 0 GDADRO C[C@@H](NC(=O)[C@]1(F)CCOC1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575251318 949134656 /nfs/dbraw/zinc/13/46/56/949134656.db2.gz ANXOXCOVDGFNAN-ZMZPIMSZSA-N 1 0 392.410 1.071 20 0 GDADRO C[C@H](CNC(=O)COCC1CC1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574932350 949140208 /nfs/dbraw/zinc/14/02/08/949140208.db2.gz YBBWPGHENHXODB-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)COc1ccsc1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574934146 949150238 /nfs/dbraw/zinc/15/02/38/949150238.db2.gz CKVMXZVFLDUEBH-CYBMUJFWSA-N 1 0 386.481 1.944 20 0 GDADRO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)C(F)F ZINC001573786840 949150480 /nfs/dbraw/zinc/15/04/80/949150480.db2.gz FMNTZRLXIJCSOU-WDNDVIMCSA-N 1 0 376.411 1.704 20 0 GDADRO C[C@H](CNC(=O)COc1cccnc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574934432 949158233 /nfs/dbraw/zinc/15/82/33/949158233.db2.gz IDHWSUODIATZTJ-GFCCVEGCSA-N 1 0 385.403 1.074 20 0 GDADRO CC(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574098898 949169270 /nfs/dbraw/zinc/16/92/70/949169270.db2.gz HGRAISSUSWYZMT-HNNXBMFYSA-N 1 0 378.452 1.303 20 0 GDADRO C[C@@H](CNC(=O)COc1cccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574934830 949180099 /nfs/dbraw/zinc/18/00/99/949180099.db2.gz SBORHVYJWUINKV-AWEZNQCLSA-N 1 0 381.440 1.277 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cccn1 ZINC001574698503 949195691 /nfs/dbraw/zinc/19/56/91/949195691.db2.gz LTFYGNBDAYRBRX-QWHCGFSZSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574937232 949218569 /nfs/dbraw/zinc/21/85/69/949218569.db2.gz MXGMTHIXCQEAIJ-SNVBAGLBSA-N 1 0 389.822 1.635 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001575854436 949232459 /nfs/dbraw/zinc/23/24/59/949232459.db2.gz WXCWDUWFFAGIEE-UHFFFAOYSA-N 1 0 386.847 1.772 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574699414 949233431 /nfs/dbraw/zinc/23/34/31/949233431.db2.gz UOSLYZKSGZDZSN-OLZOCXBDSA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)c1oncc1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574451682 949238125 /nfs/dbraw/zinc/23/81/25/949238125.db2.gz UDGUOEZJCBRYJY-HAQNSBGRSA-N 1 0 382.428 1.416 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574938757 949254248 /nfs/dbraw/zinc/25/42/48/949254248.db2.gz ZZHIBWKBLCIYSP-SNVBAGLBSA-N 1 0 389.822 1.635 20 0 GDADRO C[C@H](CN(C)C(=O)C1(c2ccccn2)CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574701463 949257257 /nfs/dbraw/zinc/25/72/57/949257257.db2.gz ANAKBGMFQKKCAM-OAHLLOKOSA-N 1 0 391.479 1.930 20 0 GDADRO CC(C)n1cc(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001574452998 949278204 /nfs/dbraw/zinc/27/82/04/949278204.db2.gz VCPKVDMRBPVPHH-AWEZNQCLSA-N 1 0 382.472 1.942 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]1(C)CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574702144 949280851 /nfs/dbraw/zinc/28/08/51/949280851.db2.gz HLYKNCUDLGDRQI-KPZWWZAWSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)(C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573793571 949303752 /nfs/dbraw/zinc/30/37/52/949303752.db2.gz VFQOBIYZZFTPOZ-HOCLYGCPSA-N 1 0 384.484 1.856 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001574455785 949308527 /nfs/dbraw/zinc/30/85/27/949308527.db2.gz YJSGOFAQIMXGGM-IYBDPMFKSA-N 1 0 380.456 1.695 20 0 GDADRO C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575259159 949325486 /nfs/dbraw/zinc/32/54/86/949325486.db2.gz MXAGJGWUSGBNLJ-KGLIPLIRSA-N 1 0 383.456 1.677 20 0 GDADRO CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574109730 949326242 /nfs/dbraw/zinc/32/62/42/949326242.db2.gz BNNOSHDWMDJBCU-CXAGYDPISA-N 1 0 390.463 1.757 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574703380 949328375 /nfs/dbraw/zinc/32/83/75/949328375.db2.gz VDAPLBHPQYWWKZ-LBPRGKRZSA-N 1 0 375.452 1.606 20 0 GDADRO CC(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574110239 949353162 /nfs/dbraw/zinc/35/31/62/949353162.db2.gz WACWIYJEZBHXKR-DYVFJYSZSA-N 1 0 390.463 1.757 20 0 GDADRO C[C@H](CNC(=O)Cc1ccccc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574942379 949354959 /nfs/dbraw/zinc/35/49/59/949354959.db2.gz ZRKMHFYVIGFWNQ-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO CC(C)n1ccc(CC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)n1 ZINC001574459819 949366731 /nfs/dbraw/zinc/36/67/31/949366731.db2.gz LLEPZGVMINFYJE-UHFFFAOYSA-N 1 0 386.435 1.232 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001574460691 949377708 /nfs/dbraw/zinc/37/77/08/949377708.db2.gz XSPAKWRRADQVMY-GASCZTMLSA-N 1 0 380.456 1.695 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCCOC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575262745 949378172 /nfs/dbraw/zinc/37/81/72/949378172.db2.gz BTGFNJAYFONBNI-TZMCWYRMSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574944348 949390219 /nfs/dbraw/zinc/39/02/19/949390219.db2.gz AWEAJRRLZAIEJV-NSHDSACASA-N 1 0 387.394 1.377 20 0 GDADRO C[C@H](CNC(=O)Cc1cscn1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574944353 949391834 /nfs/dbraw/zinc/39/18/34/949391834.db2.gz AYEBIAKFLYZINH-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO CC(C)CC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOCC1 ZINC001574113158 949393298 /nfs/dbraw/zinc/39/32/98/949393298.db2.gz NJUOHSJTHCWFCS-UHFFFAOYSA-N 1 0 390.463 1.807 20 0 GDADRO CC(C)n1cnc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001574464186 949402170 /nfs/dbraw/zinc/40/21/70/949402170.db2.gz IMSIXBSRXQRGIC-LBPRGKRZSA-N 1 0 386.485 1.710 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)c1Cl ZINC001574468045 949452184 /nfs/dbraw/zinc/45/21/84/949452184.db2.gz GBMNQIKGGUFUHU-JTQLQIEISA-N 1 0 389.851 1.345 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574707130 949463049 /nfs/dbraw/zinc/46/30/49/949463049.db2.gz NITHHTKQROOYGH-TZMCWYRMSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC001574468961 949471705 /nfs/dbraw/zinc/47/17/05/949471705.db2.gz WJZQDMJRTWGEKP-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574707628 949471794 /nfs/dbraw/zinc/47/17/94/949471794.db2.gz PBYCURJVPQSSSG-OCCSQVGLSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574707891 949481065 /nfs/dbraw/zinc/48/10/65/949481065.db2.gz ROJAYFOATKSUTI-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)Cn1cc(Cl)cn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574949599 949499100 /nfs/dbraw/zinc/49/91/00/949499100.db2.gz YHEWZMDMVKRBKH-SNVBAGLBSA-N 1 0 392.826 1.150 20 0 GDADRO C[C@@H](CNC(=O)Cn1cc(Cl)cn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574949597 949500650 /nfs/dbraw/zinc/50/06/50/949500650.db2.gz YHEWZMDMVKRBKH-JTQLQIEISA-N 1 0 392.826 1.150 20 0 GDADRO C[C@@H](NC(=O)C[C@H]1CCCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575267679 949503793 /nfs/dbraw/zinc/50/37/93/949503793.db2.gz JLQFNTFQASLQNO-GDBMZVCRSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@]1(C(=O)N2CCC([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001575537835 949504274 /nfs/dbraw/zinc/50/42/74/949504274.db2.gz YKOPSJFIXDGQGR-LJQANCHMSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]1CCCC[C@]1(C[NH2+]Cc1ccon1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576158883 949510417 /nfs/dbraw/zinc/51/04/17/949510417.db2.gz VMNOPCKVVKAAQR-KPZWWZAWSA-N 1 0 384.444 1.651 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001574470867 949515958 /nfs/dbraw/zinc/51/59/58/949515958.db2.gz VZCZUENISJJMCM-VQFNDLOPSA-N 1 0 392.467 1.504 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574470910 949523138 /nfs/dbraw/zinc/52/31/38/949523138.db2.gz YCNGUXAQWBPTGI-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575538667 949529246 /nfs/dbraw/zinc/52/92/46/949529246.db2.gz IMMXCSLNPGTGQC-OXJNMPFZSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)CC(=O)NCCN1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574123008 949530444 /nfs/dbraw/zinc/53/04/44/949530444.db2.gz ANQCJEUXKZKACA-UHFFFAOYSA-N 1 0 385.516 1.583 20 0 GDADRO CC1(C(=O)N2CCC[C@@](CO)([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCC1 ZINC001575539316 949541495 /nfs/dbraw/zinc/54/14/95/949541495.db2.gz OTIRIYJRQBPXHF-HXUWFJFHSA-N 1 0 384.484 1.500 20 0 GDADRO CC1(C(=O)N2CCC[C@](CO)([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001575540595 949566735 /nfs/dbraw/zinc/56/67/35/949566735.db2.gz XYJAJESXNPXCRU-IBGZPJMESA-N 1 0 388.447 1.249 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574712477 949579278 /nfs/dbraw/zinc/57/92/78/949579278.db2.gz SRJVUCYCNNADOK-OCCSQVGLSA-N 1 0 378.440 1.067 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575873641 949580606 /nfs/dbraw/zinc/58/06/06/949580606.db2.gz BGUBHORDWUPBEA-DNVCBOLYSA-N 1 0 391.479 1.974 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCCOC1 ZINC001573810961 949586077 /nfs/dbraw/zinc/58/60/77/949586077.db2.gz GAOUSNUMKVWUGB-SJORKVTESA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573811264 949594008 /nfs/dbraw/zinc/59/40/08/949594008.db2.gz ITRJJSOWNCDRNK-TWMKSMIVSA-N 1 0 384.484 1.380 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C1CCOCC1 ZINC001573811599 949605478 /nfs/dbraw/zinc/60/54/78/949605478.db2.gz MJAZFWZZRNMTIL-QGZVFWFLSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cncnc1 ZINC001573812184 949611765 /nfs/dbraw/zinc/61/17/65/949611765.db2.gz QQJVIFLJROWKER-AWEZNQCLSA-N 1 0 386.485 1.653 20 0 GDADRO C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574476884 949626091 /nfs/dbraw/zinc/62/60/91/949626091.db2.gz LJGIMZYNFKSEAP-OAHLLOKOSA-N 1 0 382.472 1.605 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574957676 949628228 /nfs/dbraw/zinc/62/82/28/949628228.db2.gz FUBOELYMHGRWAI-PLNCSYRRSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@@H]1CCCN(C(=O)Cc2cccnc2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576168646 949647832 /nfs/dbraw/zinc/64/78/32/949647832.db2.gz CTLJESJJZLYPQE-KDOFPFPSSA-N 1 0 392.467 1.360 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574715336 949651206 /nfs/dbraw/zinc/65/12/06/949651206.db2.gz IQWHJGFDTLNCGJ-VXGBXAGGSA-N 1 0 376.440 1.001 20 0 GDADRO C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575273885 949677175 /nfs/dbraw/zinc/67/71/75/949677175.db2.gz YPHVZEATORARNQ-CHWSQXEVSA-N 1 0 390.467 1.582 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574716102 949679814 /nfs/dbraw/zinc/67/98/14/949679814.db2.gz MJWHQPFEYOOWTB-BBRMVZONSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576169772 949692700 /nfs/dbraw/zinc/69/27/00/949692700.db2.gz IABWUYWDUSIXDA-YOEHRIQHSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575879759 949693763 /nfs/dbraw/zinc/69/37/63/949693763.db2.gz RKNBEGKOEJVNNX-DYVFJYSZSA-N 1 0 389.479 1.427 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cc(Cl)no1 ZINC001573817802 949709045 /nfs/dbraw/zinc/70/90/45/949709045.db2.gz BGAGMAMCISKKJF-LBPRGKRZSA-N 1 0 390.835 1.582 20 0 GDADRO C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1nccnc1-c1nn[nH]n1 ZINC001576170152 949709668 /nfs/dbraw/zinc/70/96/68/949709668.db2.gz JJXZMXVROOKSRD-UONOGXRCSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716889 949713679 /nfs/dbraw/zinc/71/36/79/949713679.db2.gz ROWROXNVEQCTLW-CJNGLKHVSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573818245 949726591 /nfs/dbraw/zinc/72/65/91/949726591.db2.gz IZCFTJILNYUEFX-BBRMVZONSA-N 1 0 387.488 1.586 20 0 GDADRO C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001576171199 949750624 /nfs/dbraw/zinc/75/06/24/949750624.db2.gz PJPYHKSEDMEHLF-ZFWWWQNUSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574718136 949761368 /nfs/dbraw/zinc/76/13/68/949761368.db2.gz SPRFQWURAHMVFS-GXTWGEPZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](NC(=O)CCc1cncnc1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575279242 949777684 /nfs/dbraw/zinc/77/76/84/949777684.db2.gz XRKBFKLWQJFXEO-CQSZACIVSA-N 1 0 392.467 1.226 20 0 GDADRO C[C@H](CNC(=O)c1c(Cl)cnn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574964816 949785628 /nfs/dbraw/zinc/78/56/28/949785628.db2.gz ACCWWPSRCFNPGP-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO CC(C)OCCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574720605 949796019 /nfs/dbraw/zinc/79/60/19/949796019.db2.gz DQLQQHRBZGRPMH-ZDUSSCGKSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574965468 949799491 /nfs/dbraw/zinc/79/94/91/949799491.db2.gz GHXJZLWTSKAARS-LLVKDONJSA-N 1 0 381.444 1.127 20 0 GDADRO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOCC1 ZINC001575561549 949810614 /nfs/dbraw/zinc/81/06/14/949810614.db2.gz BFIAPIRZCQCGSC-KRWDZBQOSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)OCCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574721755 949822313 /nfs/dbraw/zinc/82/23/13/949822313.db2.gz NKQWLXOVBFEDQQ-ZDUSSCGKSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@]1(C(=O)NC2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575563633 949842538 /nfs/dbraw/zinc/84/25/38/949842538.db2.gz LKLGLAJVSTYXGO-PMTKGXAQSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cncnc2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576178422 949885170 /nfs/dbraw/zinc/88/51/70/949885170.db2.gz BFPOHJRAOHKORZ-KBXCAEBGSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H](CN(C)C(=O)CCn1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574725052 949887663 /nfs/dbraw/zinc/88/76/63/949887663.db2.gz OFYAFKBNSOXGLW-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576178946 949901439 /nfs/dbraw/zinc/90/14/39/949901439.db2.gz DGIQYRUQPQZFMC-KDOFPFPSSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H](NC(=O)COC(C)(C)C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575284728 949915532 /nfs/dbraw/zinc/91/55/32/949915532.db2.gz WCKDWUFUGLKGEG-LBPRGKRZSA-N 1 0 390.463 1.757 20 0 GDADRO C[C@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575285301 949939954 /nfs/dbraw/zinc/93/99/54/949939954.db2.gz MOLQBRQXMWDVDE-KBPBESRZSA-N 1 0 380.456 1.125 20 0 GDADRO C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)CC2)CCOC1 ZINC001575571184 949953726 /nfs/dbraw/zinc/95/37/26/949953726.db2.gz YGMIFSYGILUHDP-LJQANCHMSA-N 1 0 388.447 1.513 20 0 GDADRO CC1(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)CCCC1 ZINC001575571209 949954389 /nfs/dbraw/zinc/95/43/89/949954389.db2.gz YTNAAIJBKVSYSA-IAGOWNOFSA-N 1 0 384.484 1.498 20 0 GDADRO C[C@H](CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574489280 949960245 /nfs/dbraw/zinc/96/02/45/949960245.db2.gz IAWRMAQFEFSEMF-RNCFNFMXSA-N 1 0 383.378 1.579 20 0 GDADRO C[C@@H](CN(C)C(=O)COCC(F)F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574727488 949971135 /nfs/dbraw/zinc/97/11/35/949971135.db2.gz UFPWUXRQNUTHKB-JTQLQIEISA-N 1 0 386.378 1.224 20 0 GDADRO C[C@@H](NC(=O)CCn1cccc1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575286475 949984056 /nfs/dbraw/zinc/98/40/56/949984056.db2.gz XAYMFOMIEGWWPS-OAHLLOKOSA-N 1 0 379.468 1.695 20 0 GDADRO C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574490326 949987149 /nfs/dbraw/zinc/98/71/49/949987149.db2.gz PUYPZFXYQJVXQJ-XJKCOSOUSA-N 1 0 381.440 1.729 20 0 GDADRO C[C@@H](CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)n1cccc1 ZINC001574490429 949997468 /nfs/dbraw/zinc/99/74/68/949997468.db2.gz RMKOYJQOAWYKDI-HRCADAONSA-N 1 0 392.467 1.609 20 0 GDADRO C[C@@H](NC(=O)Cc1ccoc1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575289619 949998776 /nfs/dbraw/zinc/99/87/76/949998776.db2.gz ALZJQDPDQVWFER-HIFRSBDPSA-N 1 0 381.440 1.819 20 0 GDADRO CC(C)(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573831452 950001116 /nfs/dbraw/zinc/00/11/16/950001116.db2.gz YOOVUPJXPKUGRP-AWEZNQCLSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCCOC1 ZINC001575573728 950003762 /nfs/dbraw/zinc/00/37/62/950003762.db2.gz OKGXZHCDJZEFGJ-KBXCAEBGSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574491177 950023719 /nfs/dbraw/zinc/02/37/19/950023719.db2.gz ANRPWNIVJLLMFF-GDBMZVCRSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576181935 950026321 /nfs/dbraw/zinc/02/63/21/950026321.db2.gz NEVDZUUHFSBYMH-RDTXWAMCSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574731967 950059588 /nfs/dbraw/zinc/05/95/88/950059588.db2.gz YYFRFVHELBKTNX-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C[NH2+]Cc1ccccn1 ZINC001576182697 950062316 /nfs/dbraw/zinc/06/23/16/950062316.db2.gz OYLAFCAKRBIUAD-DYVFJYSZSA-N 1 0 380.456 1.620 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574151215 950065758 /nfs/dbraw/zinc/06/57/58/950065758.db2.gz NSVBLUVRLNTTPP-GJZGRUSLSA-N 1 0 375.477 1.498 20 0 GDADRO CC(C)(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573836222 950071998 /nfs/dbraw/zinc/07/19/98/950071998.db2.gz HDCLESXGHQCNIT-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cn[nH]n1 ZINC001574151397 950073424 /nfs/dbraw/zinc/07/34/24/950073424.db2.gz QMYYUAKECOCHCL-ZDUSSCGKSA-N 1 0 387.423 1.058 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1N(C)C ZINC001574976378 950075225 /nfs/dbraw/zinc/07/52/25/950075225.db2.gz RNHFCFSCDIJGMZ-CYBMUJFWSA-N 1 0 382.472 1.511 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cncnc1 ZINC001574151387 950076341 /nfs/dbraw/zinc/07/63/41/950076341.db2.gz QKXHKKWBTDYVDC-QGZVFWFLSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1csnn1 ZINC001574151515 950078089 /nfs/dbraw/zinc/07/80/89/950078089.db2.gz UGPOWWXHQMMHPK-CQSZACIVSA-N 1 0 386.485 1.653 20 0 GDADRO C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576183660 950094562 /nfs/dbraw/zinc/09/45/62/950094562.db2.gz RDCZXBWBZAGXRO-HIFRSBDPSA-N 1 0 385.472 1.007 20 0 GDADRO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574152430 950104346 /nfs/dbraw/zinc/10/43/46/950104346.db2.gz CAIKBZLBMWTARK-WBVHZDCISA-N 1 0 388.520 1.791 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cnccn2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576184009 950108181 /nfs/dbraw/zinc/10/81/81/950108181.db2.gz VBWWFXQQKWYDBK-KSSFIOAISA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cnccn2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576184010 950110449 /nfs/dbraw/zinc/11/04/49/950110449.db2.gz VBWWFXQQKWYDBK-RDTXWAMCSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1ccnc1 ZINC001574493015 950112209 /nfs/dbraw/zinc/11/22/09/950112209.db2.gz QRNQJIGCYAQWHD-PBHICJAKSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001574493024 950112297 /nfs/dbraw/zinc/11/22/97/950112297.db2.gz QSGHFMANHFHRMA-YOEHRIQHSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576184432 950128730 /nfs/dbraw/zinc/12/87/30/950128730.db2.gz WJBRWKIPIROPGH-LRDDRELGSA-N 1 0 381.444 1.150 20 0 GDADRO CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573839403 950131379 /nfs/dbraw/zinc/13/13/79/950131379.db2.gz UFROSZGITGLRSD-INIZCTEOSA-N 1 0 388.516 1.896 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2ccnnc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575898223 950154493 /nfs/dbraw/zinc/15/44/93/950154493.db2.gz RXSIFLDBERNCII-CXAGYDPISA-N 1 0 378.440 1.440 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC001574494264 950160625 /nfs/dbraw/zinc/16/06/25/950160625.db2.gz JNCOMBZCMIGJSA-BDAKNGLRSA-N 1 0 392.407 1.083 20 0 GDADRO CC1(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCCC1 ZINC001575584202 950166699 /nfs/dbraw/zinc/16/66/99/950166699.db2.gz WTJOPOUVVYDEDA-FQEVSTJZSA-N 1 0 384.484 1.500 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2ccn(C)c2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575899501 950168310 /nfs/dbraw/zinc/16/83/10/950168310.db2.gz WXDKECASKFILKD-KSSFIOAISA-N 1 0 379.468 1.988 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574494585 950168305 /nfs/dbraw/zinc/16/83/05/950168305.db2.gz LQKGPVDVIJFHOQ-NOZJJQNGSA-N 1 0 383.378 1.579 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cccc(F)c1Cl ZINC001574982588 950175237 /nfs/dbraw/zinc/17/52/37/950175237.db2.gz DXINXRBJXRRWLN-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1cnc[nH]1 ZINC001575900242 950190713 /nfs/dbraw/zinc/19/07/13/950190713.db2.gz COZVMALXYIDPNS-ZBEGNZNMSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C[NH2+]Cc1ccns1 ZINC001576191564 950199905 /nfs/dbraw/zinc/19/99/05/950199905.db2.gz ILZWEUINBLRCTA-VXGBXAGGSA-N 1 0 386.485 1.539 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573844622 950200342 /nfs/dbraw/zinc/20/03/42/950200342.db2.gz KUYRTNYWNZJUTD-AWEZNQCLSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575585701 950204494 /nfs/dbraw/zinc/20/44/94/950204494.db2.gz BZKSDZYNAWUAHH-BFUOFWGJSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574983434 950219450 /nfs/dbraw/zinc/21/94/50/950219450.db2.gz NMQVIQWXMNIOAQ-LBPRGKRZSA-N 1 0 382.472 1.795 20 0 GDADRO CC(C)C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574157614 950247983 /nfs/dbraw/zinc/24/79/83/950247983.db2.gz FGFCIFGAPQNWRL-HIFRSBDPSA-N 1 0 387.492 1.084 20 0 GDADRO 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C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906046 950302500 /nfs/dbraw/zinc/30/25/00/950302500.db2.gz GIOKINOGPQODRY-CABZTGNLSA-N 1 0 375.433 1.788 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575906022 950303763 /nfs/dbraw/zinc/30/37/63/950303763.db2.gz FZHMHCQEWMSWKD-BONVTDFDSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H]1CCN(C(=O)c2cnon2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576193622 950305809 /nfs/dbraw/zinc/30/58/09/950305809.db2.gz UXBHBEGXZSBMRI-SWLSCSKDSA-N 1 0 382.428 1.138 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CCOc1ccccc1F ZINC001574988064 950312244 /nfs/dbraw/zinc/31/22/44/950312244.db2.gz LSQXXCKURYYZJG-GFCCVEGCSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2ncccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576193965 950320694 /nfs/dbraw/zinc/32/06/94/950320694.db2.gz WWJULNBJAQCDPS-CJNGLKHVSA-N 1 0 384.488 1.252 20 0 GDADRO 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C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926985 950730380 /nfs/dbraw/zinc/73/03/80/950730380.db2.gz NBVACXYTDAASFY-GXFFZTMASA-N 1 0 380.412 1.264 20 0 GDADRO CC1(C)CC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001575629064 950730859 /nfs/dbraw/zinc/73/08/59/950730859.db2.gz JVZGRLLBXBEGDH-IRXDYDNUSA-N 1 0 384.484 1.354 20 0 GDADRO CC(C)n1cc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001574763840 950734610 /nfs/dbraw/zinc/73/46/10/950734610.db2.gz LYKUYZPUSQCWFL-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO CC1(C)CC(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575629371 950734699 /nfs/dbraw/zinc/73/46/99/950734699.db2.gz NJUWHYJJHLPVKX-CYBMUJFWSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576216606 950737627 /nfs/dbraw/zinc/73/76/27/950737627.db2.gz DYQAVWQXTNCENK-KOLCDFICSA-N 1 0 382.440 1.910 20 0 GDADRO C[C@H](CN(C)C(=O)c1coc(C2CC2)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574765006 950768523 /nfs/dbraw/zinc/76/85/23/950768523.db2.gz BOACFKSKNKLYMM-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575928087 950773842 /nfs/dbraw/zinc/77/38/42/950773842.db2.gz YLBFHFLXZIUZPC-MFKMUULPSA-N 1 0 380.412 1.264 20 0 GDADRO C[C@H](CN(C)C(=O)c1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574765093 950773872 /nfs/dbraw/zinc/77/38/72/950773872.db2.gz DPTAUFNAFZGDFT-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1(F)CCOCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574521370 950776408 /nfs/dbraw/zinc/77/64/08/950776408.db2.gz FSBZEUGXEFJJBW-KGLIPLIRSA-N 1 0 390.463 1.758 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1ncc[nH]1 ZINC001574521762 950782172 /nfs/dbraw/zinc/78/21/72/950782172.db2.gz HMBNKLHDXVIHFH-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cccnc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574522559 950797207 /nfs/dbraw/zinc/79/72/07/950797207.db2.gz KWOKCGIYCSAPOH-CABCVRRESA-N 1 0 379.468 1.877 20 0 GDADRO CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573885037 950809158 /nfs/dbraw/zinc/80/91/58/950809158.db2.gz MZQDVGYZTKMCTE-XYPYZODXSA-N 1 0 381.444 1.077 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1=COCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574523576 950816840 /nfs/dbraw/zinc/81/68/40/950816840.db2.gz OFDRJFRUCPGBQP-NEPJUHHUSA-N 1 0 390.419 1.267 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CC(C)(C)O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574523482 950819667 /nfs/dbraw/zinc/81/96/67/950819667.db2.gz OBSZKYRLIIOJIC-NEPJUHHUSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCc1c[nH]cn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574523733 950829951 /nfs/dbraw/zinc/82/99/51/950829951.db2.gz PXBCWEHLOVHJBS-KGLIPLIRSA-N 1 0 382.472 1.596 20 0 GDADRO CC(C)OCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574524172 950851473 /nfs/dbraw/zinc/85/14/73/950851473.db2.gz UIXBQIUVEADVRJ-CHWSQXEVSA-N 1 0 378.452 1.804 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576221341 950853475 /nfs/dbraw/zinc/85/34/75/950853475.db2.gz ZXWWEFXPXJADJS-ZWNOBZJWSA-N 1 0 379.415 1.624 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCC[C@](CO)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001575639274 950865492 /nfs/dbraw/zinc/86/54/92/950865492.db2.gz QHLYSYSTCCXKLP-IBGZPJMESA-N 1 0 387.488 1.188 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CCCOCC(F)(F)F ZINC001575011908 950871824 /nfs/dbraw/zinc/87/18/24/950871824.db2.gz UARXORLVJLGFFN-JTQLQIEISA-N 1 0 389.382 1.214 20 0 GDADRO CC(C)n1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001574527162 950879387 /nfs/dbraw/zinc/87/93/87/950879387.db2.gz AGLXWUGMVWCQOK-NEPJUHHUSA-N 1 0 386.464 1.054 20 0 GDADRO CC1(C)CC(C[NH2+]CC2(O)CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001575640107 950883803 /nfs/dbraw/zinc/88/38/03/950883803.db2.gz XGUDDNIIIDADRA-UHFFFAOYSA-N 1 0 387.488 1.188 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cn(C)cn1 ZINC001574527602 950896887 /nfs/dbraw/zinc/89/68/87/950896887.db2.gz DURZXXSWTHWLLL-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1csc(=O)[nH]1 ZINC001574527692 950900537 /nfs/dbraw/zinc/90/05/37/950900537.db2.gz FZLXLRIZRAMAMA-GHMZBOCLSA-N 1 0 387.469 1.716 20 0 GDADRO CC1(C)C[C@H](NC(=O)c2ccn[nH]2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575640962 950907200 /nfs/dbraw/zinc/90/72/00/950907200.db2.gz MAPCWGKKVVSXHQ-GFCCVEGCSA-N 1 0 381.444 1.410 20 0 GDADRO CC(C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001574190740 950918067 /nfs/dbraw/zinc/91/80/67/950918067.db2.gz ZVVSXHGPTACGQX-ROUUACIJSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001574771577 950926252 /nfs/dbraw/zinc/92/62/52/950926252.db2.gz GTJIIOPXPHWEOR-ZDUSSCGKSA-N 1 0 375.452 1.038 20 0 GDADRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1ccc(-c2nn[nH]n2)nc1 ZINC001576227899 950926685 /nfs/dbraw/zinc/92/66/85/950926685.db2.gz FJLQGYZTIGXLRS-UKRRQHHQSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ncccc1O ZINC001574528646 950935179 /nfs/dbraw/zinc/93/51/79/950935179.db2.gz NVAHAJZFQCNNOR-STQMWFEESA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574771894 950949212 /nfs/dbraw/zinc/94/92/12/950949212.db2.gz MIPQYTRALXOUKC-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575642876 950952603 /nfs/dbraw/zinc/95/26/03/950952603.db2.gz JABALINESBATAP-UZLBHIALSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574772667 950974130 /nfs/dbraw/zinc/97/41/30/950974130.db2.gz TZTQFOVCDQIWOX-PIGZYNQJSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576230017 950982117 /nfs/dbraw/zinc/98/21/17/950982117.db2.gz KYNBAVBXHPZWGB-DZGCQCFKSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cncn1C ZINC001574530475 950984047 /nfs/dbraw/zinc/98/40/47/950984047.db2.gz UUJVLHSAIGGJBF-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cnccn1 ZINC001574530568 950989638 /nfs/dbraw/zinc/98/96/38/950989638.db2.gz VRXOEUOGENQFMZ-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H]1CN(C(=O)C2CCOCC2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576230140 950991485 /nfs/dbraw/zinc/99/14/85/950991485.db2.gz QAXJEORAMGDMEP-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ncccc1F ZINC001574773995 950997301 /nfs/dbraw/zinc/99/73/01/950997301.db2.gz ATNMOAALVFQKEW-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CO1 ZINC001575938911 950997532 /nfs/dbraw/zinc/99/75/32/950997532.db2.gz NSFMNPFFIAKCIE-HIFRSBDPSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574773955 950998615 /nfs/dbraw/zinc/99/86/15/950998615.db2.gz AASDPRAUTQUIIZ-YJYMSZOUSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575024614 951110058 /nfs/dbraw/zinc/11/00/58/951110058.db2.gz JGAMBPQQRUJVIE-ZDUSSCGKSA-N 1 0 392.467 1.154 20 0 GDADRO C[C@H](CNC(=O)c1ccc2n[nH]nc2c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575025358 951129786 /nfs/dbraw/zinc/12/97/86/951129786.db2.gz YIJWZBKLKUVTCO-LLVKDONJSA-N 1 0 377.412 1.046 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2cccnc2n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025791 951132626 /nfs/dbraw/zinc/13/26/26/951132626.db2.gz AJXYFAKNXWMMNO-LBPRGKRZSA-N 1 0 389.423 1.460 20 0 GDADRO C[C@H](CNC(=O)c1cccc(Cl)c1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575026915 951147232 /nfs/dbraw/zinc/14/72/32/951147232.db2.gz OCPKSVJCEQAFDB-SECBINFHSA-N 1 0 375.795 1.707 20 0 GDADRO C[C@H](CNC(=O)c1cccc2ncnn21)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575026918 951149613 /nfs/dbraw/zinc/14/96/13/951149613.db2.gz BARYZQMABQFFLX-CYBMUJFWSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@H](CNC(=O)c1cccc(F)c1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575027698 951162268 /nfs/dbraw/zinc/16/22/68/951162268.db2.gz IDAMKLJKTJRNDS-SECBINFHSA-N 1 0 375.795 1.707 20 0 GDADRO C[C@H](CNC(=O)c1cccnc1N(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575031568 951195899 /nfs/dbraw/zinc/19/58/99/951195899.db2.gz DJILMISJTFAOKU-CYBMUJFWSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@@H](CNC(=O)c1ccns1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575034175 951238950 /nfs/dbraw/zinc/23/89/50/951238950.db2.gz 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DAJNYPHMEHTOAS-WBMJQRKESA-N 1 0 376.436 1.417 20 0 GDADRO O=C([O-])C[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001595079926 951672730 /nfs/dbraw/zinc/67/27/30/951672730.db2.gz YPCOTSFMNBADHZ-GOSISDBHSA-N 1 0 375.469 1.926 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCn1cccc1 ZINC001575077849 951675990 /nfs/dbraw/zinc/67/59/90/951675990.db2.gz IWYADOAYDVXXDZ-CQSZACIVSA-N 1 0 385.447 1.834 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cncc(F)c1 ZINC001575079082 951687642 /nfs/dbraw/zinc/68/76/42/951687642.db2.gz PQXNLBLIVSPAMR-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079407 951690338 /nfs/dbraw/zinc/69/03/38/951690338.db2.gz DPVXFZUEJRYNBI-BLLLJJGKSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCn1cccn1 ZINC001575079530 951694555 /nfs/dbraw/zinc/69/45/55/951694555.db2.gz QNTRAZAIMHBSFC-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1ccncc1F ZINC001575079834 951697593 /nfs/dbraw/zinc/69/75/93/951697593.db2.gz GZBZEEDYJCVBDG-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CCc1c[nH]cn1 ZINC001575079863 951699452 /nfs/dbraw/zinc/69/94/52/951699452.db2.gz HVNVTNUPPQPUTA-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@@H](C[NH2+]CCOCc1ccccc1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575081383 951722193 /nfs/dbraw/zinc/72/21/93/951722193.db2.gz UGBGHAMWSWQEIK-AWEZNQCLSA-N 1 0 383.456 1.462 20 0 GDADRO C[C@@H](CNC(=O)CCn1cccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082056 951730632 /nfs/dbraw/zinc/73/06/32/951730632.db2.gz URJQUMRQROPITD-CYBMUJFWSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@H](CNC(=O)CCn1cccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082058 951730873 /nfs/dbraw/zinc/73/08/73/951730873.db2.gz URJQUMRQROPITD-ZDUSSCGKSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088870 951742980 /nfs/dbraw/zinc/74/29/80/951742980.db2.gz CHIJUMDZKGZRPK-IFXJQAMLSA-N 1 0 392.463 1.712 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cc(F)c[nH]1 ZINC001575089136 951745887 /nfs/dbraw/zinc/74/58/87/951745887.db2.gz DVKUJQXYGULYFE-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1csnn1 ZINC001575089913 951755706 /nfs/dbraw/zinc/75/57/06/951755706.db2.gz ISZAPGXDWHCHQG-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@H]1CCCO1)C1CC1 ZINC001575090139 951757590 /nfs/dbraw/zinc/75/75/90/951757590.db2.gz JQWAHZBMLJBPDQ-DYVFJYSZSA-N 1 0 376.486 1.482 20 0 GDADRO C[C@@H](CNC(=O)[C@@]1(C)CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090900 951765013 /nfs/dbraw/zinc/76/50/13/951765013.db2.gz NUWGLBACABKRHR-YJYMSZOUSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1csnn1 ZINC001575091414 951775738 /nfs/dbraw/zinc/77/57/38/951775738.db2.gz QQUGTZUCKVPCHV-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cscn1 ZINC001575091614 951780491 /nfs/dbraw/zinc/78/04/91/951780491.db2.gz SOYLAQDKUUKRMT-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)CCC1CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091619 951780782 /nfs/dbraw/zinc/78/07/82/951780782.db2.gz SPQYWLAWSGBXEO-HNNXBMFYSA-N 1 0 386.500 1.915 20 0 GDADRO C[C@H](CNC(=O)c1ccncc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091752 951781816 /nfs/dbraw/zinc/78/18/16/951781816.db2.gz XNTPUFCGPYGDFM-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1CCOCC1 ZINC001575091781 951783354 /nfs/dbraw/zinc/78/33/54/951783354.db2.gz YAJUGKJIURAPLD-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575091795 951783862 /nfs/dbraw/zinc/78/38/62/951783862.db2.gz URARCHADRFJEOJ-GXTWGEPZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575091834 951785014 /nfs/dbraw/zinc/78/50/14/951785014.db2.gz VIDYCBDOAITYIN-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)c1ccnc2[nH]cnc21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096058 951817624 /nfs/dbraw/zinc/81/76/24/951817624.db2.gz YRKABGXNTVMEQY-LBPRGKRZSA-N 1 0 391.439 1.294 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1cccnc1 ZINC001575099908 951841136 /nfs/dbraw/zinc/84/11/36/951841136.db2.gz QCSTWXWNFLUHTO-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100941 951848890 /nfs/dbraw/zinc/84/88/90/951848890.db2.gz XGEABGLHQQKEOD-PIGZYNQJSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCC1(F)F)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101469 951860618 /nfs/dbraw/zinc/86/06/18/951860618.db2.gz FDQAMDNGFUNWSJ-ZWNOBZJWSA-N 1 0 382.390 1.893 20 0 GDADRO CC(C)n1cc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cn1 ZINC001575102421 951868133 /nfs/dbraw/zinc/86/81/33/951868133.db2.gz MXYOEUHLRSCAEL-GFCCVEGCSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@@H](CNC(=O)COc1ccsc1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104893 951889923 /nfs/dbraw/zinc/88/99/23/951889923.db2.gz GIMQSRSHWKGGEV-CYBMUJFWSA-N 1 0 386.481 1.849 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575105842 951900959 /nfs/dbraw/zinc/90/09/59/951900959.db2.gz OLHIUUZKAYIACQ-TZMCWYRMSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001575106822 951907759 /nfs/dbraw/zinc/90/77/59/951907759.db2.gz VDBLJEFUOGGKBY-XLIONFOSSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1cncn1C ZINC001575107171 951914869 /nfs/dbraw/zinc/91/48/69/951914869.db2.gz ALYINPPHODRVHX-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)COc1ccccc1 ZINC001575107334 951917485 /nfs/dbraw/zinc/91/74/85/951917485.db2.gz DBYKIDFRFXQDLF-HNNXBMFYSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1ccncc1 ZINC001575107929 951921566 /nfs/dbraw/zinc/92/15/66/951921566.db2.gz JINSXQZVHZOZBM-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109918 951934914 /nfs/dbraw/zinc/93/49/14/951934914.db2.gz VXTISRHCGIBSQM-JEBQAFNWSA-N 1 0 394.483 1.246 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575110039 951937364 /nfs/dbraw/zinc/93/73/64/951937364.db2.gz XJEYKTOMKOMJCP-LTUQZUHASA-N 1 0 382.468 1.227 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[C@H](C)n1cccn1 ZINC001575110374 951939173 /nfs/dbraw/zinc/93/91/73/951939173.db2.gz ZUORWWXZMYEXDU-LSDHHAIUSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@@H](CNC(=O)c1ccn(C(F)F)n1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113843 951947198 /nfs/dbraw/zinc/94/71/98/951947198.db2.gz GYISTUZULHUTON-LLVKDONJSA-N 1 0 390.398 1.614 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575113990 951951583 /nfs/dbraw/zinc/95/15/83/951951583.db2.gz JXFQDSXLSOKYSQ-YWZLYKJASA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1COc2ccccc21)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115458 951963832 /nfs/dbraw/zinc/96/38/32/951963832.db2.gz XAHLNECLFQTHRG-RDTXWAMCSA-N 1 0 392.463 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1nnc(C2CC2)s1 ZINC001575116749 951973722 /nfs/dbraw/zinc/97/37/22/951973722.db2.gz HNDNNDDOCJBWLF-SECBINFHSA-N 1 0 387.473 1.079 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1noc2c1CCCC2 ZINC001575117380 951978658 /nfs/dbraw/zinc/97/86/58/951978658.db2.gz NAWUABUMBRVUGI-NSHDSACASA-N 1 0 384.444 1.217 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575144024 952161696 /nfs/dbraw/zinc/16/16/96/952161696.db2.gz FQJHWVLXBMGPJA-GOSISDBHSA-N 1 0 382.428 1.001 20 0 GDADRO 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ZINC001571205352 953037209 /nfs/dbraw/zinc/03/72/09/953037209.db2.gz HWCXDTXATYAACJ-CQSZACIVSA-N 1 0 382.428 1.424 20 0 GDADRO C[C@]12CN(C(=O)[C@H]3CCCO3)C[C@H]1C[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571209717 953067151 /nfs/dbraw/zinc/06/71/51/953067151.db2.gz BPOUHQJTJYOUJA-MDYRTPRTSA-N 1 0 382.468 1.326 20 0 GDADRO O=C(C[C@H]1CCOC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210831 953075122 /nfs/dbraw/zinc/07/51/22/953075122.db2.gz XUMUIIGZZNVQJL-BGTYHANMSA-N 1 0 382.468 1.515 20 0 GDADRO COc1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571219378 953124738 /nfs/dbraw/zinc/12/47/38/953124738.db2.gz OAMWNRPYWAGZDE-CQSZACIVSA-N 1 0 383.412 1.258 20 0 GDADRO Cn1cccc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571229755 953171162 /nfs/dbraw/zinc/17/11/62/953171162.db2.gz MFGOOJRNHJSDRC-IBGZPJMESA-N 1 0 383.431 1.739 20 0 GDADRO C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001571231181 953183559 /nfs/dbraw/zinc/18/35/59/953183559.db2.gz VAAKJZGGSAIKKH-MOPGFXCFSA-N 1 0 383.452 1.410 20 0 GDADRO Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCCO3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232942 953189965 /nfs/dbraw/zinc/18/99/65/953189965.db2.gz MORDCWHHDUOXGM-AXHNFQJDSA-N 1 0 383.456 1.224 20 0 GDADRO C[C@@H]1CN(C(=O)c2nccs2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571234030 953198448 /nfs/dbraw/zinc/19/84/48/953198448.db2.gz LBEXTEGYZSDKJN-DOMZBBRYSA-N 1 0 383.481 1.964 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234125 953198827 /nfs/dbraw/zinc/19/88/27/953198827.db2.gz NUMVPDDFFPFORX-SFHVURJKSA-N 1 0 383.500 1.384 20 0 GDADRO C[C@]12CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]1C[N@H+](Cc1ccsc1)C2 ZINC001571234170 953199460 /nfs/dbraw/zinc/19/94/60/953199460.db2.gz OTTPTUOUXCCMRB-ACJLOTCBSA-N 1 0 383.481 1.850 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571238930 953234220 /nfs/dbraw/zinc/23/42/20/953234220.db2.gz CJPIAAUEDKOKCT-AWEZNQCLSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)[C@@H]2C)[nH]n1 ZINC001571238890 953234374 /nfs/dbraw/zinc/23/43/74/953234374.db2.gz BRQAXUIQPSUTQQ-XHDPSFHLSA-N 1 0 384.419 1.430 20 0 GDADRO CC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN(C(=O)c2cn[nH]c2)CC1 ZINC001571239240 953237073 /nfs/dbraw/zinc/23/70/73/953237073.db2.gz IIRNJNRFFWUCLE-UHFFFAOYSA-N 1 0 384.419 1.513 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571239432 953239658 /nfs/dbraw/zinc/23/96/58/953239658.db2.gz LPFICQAMMDJJNJ-BXUZGUMPSA-N 1 0 384.419 1.227 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239612 953241537 /nfs/dbraw/zinc/24/15/37/953241537.db2.gz NXOKQLPEJAOXTP-CYBMUJFWSA-N 1 0 384.419 1.289 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)[nH]n1 ZINC001571240064 953245251 /nfs/dbraw/zinc/24/52/51/953245251.db2.gz YVBXYDDPNJCKJF-ZDUSSCGKSA-N 1 0 384.419 1.432 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1cn[nH]c1 ZINC001571241461 953246607 /nfs/dbraw/zinc/24/66/07/953246607.db2.gz ABVSBPSEUBOGTN-KGLIPLIRSA-N 1 0 384.419 1.560 20 0 GDADRO O=C(CCc1cn[nH]c1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571241540 953247295 /nfs/dbraw/zinc/24/72/95/953247295.db2.gz CKXPXGYAIASHDM-HNNXBMFYSA-N 1 0 384.419 1.052 20 0 GDADRO Cc1cn(C)nc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571241639 953248301 /nfs/dbraw/zinc/24/83/01/953248301.db2.gz HBVSRZSXHKSZCV-CYBMUJFWSA-N 1 0 384.419 1.052 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1ccn[nH]1 ZINC001571241884 953250185 /nfs/dbraw/zinc/25/01/85/953250185.db2.gz OKRSPZAFIBMTNN-GFCCVEGCSA-N 1 0 384.419 1.371 20 0 GDADRO CCc1nocc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001571242973 953262004 /nfs/dbraw/zinc/26/20/04/953262004.db2.gz SFQNJNLURRAUGZ-YPMHNXCESA-N 1 0 384.444 1.528 20 0 GDADRO CN(C(=O)c1ncccn1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571244600 953265238 /nfs/dbraw/zinc/26/52/38/953265238.db2.gz BXRRKSYEPJKJIP-UHFFFAOYSA-N 1 0 384.469 1.455 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@H]2C)cnn1 ZINC001571244748 953267052 /nfs/dbraw/zinc/26/70/52/953267052.db2.gz HJYQDECHIRAMHA-BXUZGUMPSA-N 1 0 384.469 1.419 20 0 GDADRO CC(C)C1(O)CC[NH+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC001571247746 953285578 /nfs/dbraw/zinc/28/55/78/953285578.db2.gz DGLNIWRTVCNHNE-KRWDZBQOSA-N 1 0 384.484 1.845 20 0 GDADRO CO[C@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571247955 953287833 /nfs/dbraw/zinc/28/78/33/953287833.db2.gz JJOUTYGYUKUFRA-ROUUACIJSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1-c1nn[nH]n1)CCO2 ZINC001571248221 953290774 /nfs/dbraw/zinc/29/07/74/953290774.db2.gz NTSHWQGTVRLMGY-FQEVSTJZSA-N 1 0 384.484 1.716 20 0 GDADRO Cc1ncc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571248573 953295100 /nfs/dbraw/zinc/29/51/00/953295100.db2.gz GXICLPOETSNFQV-BDJLRTHQSA-N 1 0 384.444 1.664 20 0 GDADRO Cc1nocc1C[NH+]1CCC([C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571248845 953297836 /nfs/dbraw/zinc/29/78/36/953297836.db2.gz KERWBVXINKRWIC-NSHDSACASA-N 1 0 384.444 1.522 20 0 GDADRO O=C(C[C@@H]1CCCCO1)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571249011 953299419 /nfs/dbraw/zinc/29/94/19/953299419.db2.gz AUXFCNOZRFTNIQ-SJORKVTESA-N 1 0 384.484 1.907 20 0 GDADRO Cc1ncc(C[N@@H+]2CCCCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)o1 ZINC001571248972 953299565 /nfs/dbraw/zinc/29/95/65/953299565.db2.gz NDMICZMNDGHMDX-AWEZNQCLSA-N 1 0 384.444 1.666 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC(Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571250570 953311349 /nfs/dbraw/zinc/31/13/49/953311349.db2.gz QVOAUUMFSPBDHH-ZBCRRDGASA-N 1 0 384.488 1.537 20 0 GDADRO CCC1(Nc2ccc(-c3nn[nH]n3)cn2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001571250870 953313149 /nfs/dbraw/zinc/31/31/49/953313149.db2.gz UOQRRMUVVNOLCM-HNNXBMFYSA-N 1 0 384.488 1.539 20 0 GDADRO O=C([C@@H]1CCCOCC1)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571250829 953313747 /nfs/dbraw/zinc/31/37/47/953313747.db2.gz TVWWLVOJXWQLTO-MRXNPFEDSA-N 1 0 384.484 1.718 20 0 GDADRO Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571251728 953319964 /nfs/dbraw/zinc/31/99/64/953319964.db2.gz VSQBOZXJFSLMHD-UHFFFAOYSA-N 1 0 384.444 1.442 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001571251816 953320560 /nfs/dbraw/zinc/32/05/60/953320560.db2.gz AMRIORLMKQEAHH-INIZCTEOSA-N 1 0 384.488 1.175 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC001571252046 953322577 /nfs/dbraw/zinc/32/25/77/953322577.db2.gz GEPRJPSIQYMUND-ZBFHGGJFSA-N 1 0 384.488 1.456 20 0 GDADRO C[NH+]1CCC(CC(=O)N2CCC[C@@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001571252309 953325776 /nfs/dbraw/zinc/32/57/76/953325776.db2.gz KLPSCBKDDRZMHO-MRXNPFEDSA-N 1 0 384.488 1.397 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252728 953331896 /nfs/dbraw/zinc/33/18/96/953331896.db2.gz VFKZZHMUBGPPHW-CVEARBPZSA-N 1 0 384.488 1.079 20 0 GDADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cccc(-c2nn[nH]n2)c1Cl ZINC001571254277 953337228 /nfs/dbraw/zinc/33/72/28/953337228.db2.gz BETSIQUMQOZMRO-LLVKDONJSA-N 1 0 384.893 1.625 20 0 GDADRO CC[N@@H+]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C(C)(C)C1 ZINC001571254407 953338890 /nfs/dbraw/zinc/33/88/90/953338890.db2.gz CTGPCVMZPMSJIH-LBPRGKRZSA-N 1 0 384.893 1.529 20 0 GDADRO O=C(NCC1C[NH+](CCOc2ccc(F)cc2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571254794 953343466 /nfs/dbraw/zinc/34/34/66/953343466.db2.gz JGYKXIYHPDEQRR-UHFFFAOYSA-N 1 0 385.403 1.075 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnco2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571255191 953345715 /nfs/dbraw/zinc/34/57/15/953345715.db2.gz MLUCNBZNDWYHFO-IAQYHMDHSA-N 1 0 385.403 1.634 20 0 GDADRO O=C(c1ccc(F)c(F)c1)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571255126 953345828 /nfs/dbraw/zinc/34/58/28/953345828.db2.gz IUWANEIVWQGSIV-LBPRGKRZSA-N 1 0 385.378 1.679 20 0 GDADRO C[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571256157 953364089 /nfs/dbraw/zinc/36/40/89/953364089.db2.gz ZKSPKPIZUUIANL-DGCLKSJQSA-N 1 0 385.403 1.492 20 0 GDADRO Cn1ncc(C(=O)[O-])c1C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001594583083 955989408 /nfs/dbraw/zinc/98/94/08/955989408.db2.gz JLKPBJPIZNQXRI-UHFFFAOYSA-N 1 0 385.468 1.105 20 0 GDADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001330228260 957719447 /nfs/dbraw/zinc/71/94/47/957719447.db2.gz QIADTABLWQDSAM-UHFFFAOYSA-N 1 0 388.512 1.841 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000273679582 962791203 /nfs/dbraw/zinc/79/12/03/962791203.db2.gz KOKQEYGIPHKUFX-INIZCTEOSA-N 1 0 383.514 1.421 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000874416886 969394704 /nfs/dbraw/zinc/39/47/04/969394704.db2.gz ANTARPAYFRSYPM-IAGOWNOFSA-N 1 0 388.512 1.840 20 0 GDADRO O=C([O-])c1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000911323199 982346864 /nfs/dbraw/zinc/34/68/64/982346864.db2.gz HZBOBCQOATURHO-UHFFFAOYSA-N 1 0 386.427 1.861 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](CCC(=O)[O-])C[C@@H]1C ZINC001594542224 986181432 /nfs/dbraw/zinc/18/14/32/986181432.db2.gz GYXUFTSSCIHHHT-AOIWGVFYSA-N 1 0 388.512 1.697 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001598225376 990913945 /nfs/dbraw/zinc/91/39/45/990913945.db2.gz IPWNPEXLQMICGZ-UHFFFAOYSA-N 1 0 393.509 1.652 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1 ZINC001591365832 992370834 /nfs/dbraw/zinc/37/08/34/992370834.db2.gz DJTDYTGKSWSZKJ-FUHIMQAGSA-N 1 0 381.517 1.036 20 0 GDADRO C[NH+]1CCC2(CCC[N@H+](CC(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])C2)CC1 ZINC001598591605 993441964 /nfs/dbraw/zinc/44/19/64/993441964.db2.gz PTKNFPCYGQPWGY-IBGZPJMESA-N 1 0 385.508 1.832 20 0 GDADRO C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[C@@H](C(=O)[O-])C1 ZINC001598605155 993636237 /nfs/dbraw/zinc/63/62/37/993636237.db2.gz CXMOHSSSBMWHEU-RBUKOAKNSA-N 1 0 385.508 1.764 20 0 GDADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)c1 ZINC000466907125 1126094035 /nfs/dbraw/zinc/09/40/35/1126094035.db2.gz VLVHVZUJDJPXFW-RBUKOAKNSA-N 1 0 377.510 1.418 20 0 GDADRO CCOC(=O)Cn1cc(C[NH2+][C@H](CO)Cc2ccccc2)c(-c2cnn(C)c2)n1 ZINC001180970406 1126152842 /nfs/dbraw/zinc/15/28/42/1126152842.db2.gz RPDFDEBXUFRNSL-IBGZPJMESA-N 1 0 397.479 1.540 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000007612571 530546605 /nfs/dbraw/zinc/54/66/05/530546605.db2.gz CXJIFGKSVVDVDE-UHFFFAOYSA-N 1 0 381.420 1.599 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158920516 530537306 /nfs/dbraw/zinc/53/73/06/530537306.db2.gz NTVBROLAKYOFRD-CYBMUJFWSA-N 1 0 391.331 1.883 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000158982460 530538632 /nfs/dbraw/zinc/53/86/32/530538632.db2.gz DQLRBVDHELMIOL-UHFFFAOYSA-N 1 0 384.395 1.970 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000158992758 530538641 /nfs/dbraw/zinc/53/86/41/530538641.db2.gz DNNPVHQSSRAJNC-UHFFFAOYSA-N 1 0 377.304 1.574 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000159102821 530539746 /nfs/dbraw/zinc/53/97/46/530539746.db2.gz INTWIATXJVWZSQ-CQSZACIVSA-N 1 0 388.559 1.542 20 0 GDADRO [NH3+]C[C@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)C1CC1 ZINC000159253511 530541656 /nfs/dbraw/zinc/54/16/56/530541656.db2.gz PQRQKKHELNJPRI-AWEZNQCLSA-N 1 0 379.258 1.403 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1F ZINC000161916038 530564560 /nfs/dbraw/zinc/56/45/60/530564560.db2.gz KWFLVUFRMSQREV-ZJUUUORDSA-N 1 0 393.278 1.991 20 0 GDADRO CN1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000162604833 530569420 /nfs/dbraw/zinc/56/94/20/530569420.db2.gz GTOMODGOSPKFID-AWEZNQCLSA-N 1 0 398.305 1.062 20 0 GDADRO C[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 ZINC000162770264 530570809 /nfs/dbraw/zinc/57/08/09/530570809.db2.gz BZRMPEZGGMLVDC-SOUVJXGZSA-N 1 0 386.539 1.278 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)CN1c2ccc(Br)cc2OCC1=O ZINC000162855644 530571641 /nfs/dbraw/zinc/57/16/41/530571641.db2.gz QERHLYNXBODWTI-GFCCVEGCSA-N 1 0 384.274 1.808 20 0 GDADRO CCCN(C(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000163341544 530575150 /nfs/dbraw/zinc/57/51/50/530575150.db2.gz AYNDZMYSQPJNKK-UHFFFAOYSA-N 1 0 387.933 1.999 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000170845296 530589404 /nfs/dbraw/zinc/58/94/04/530589404.db2.gz RWPFKLYOGSASLA-GFCCVEGCSA-N 1 0 387.221 1.392 20 0 GDADRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1 ZINC000170873729 530590301 /nfs/dbraw/zinc/59/03/01/530590301.db2.gz CCHDANRZWFTMKU-GFCCVEGCSA-N 1 0 379.404 1.303 20 0 GDADRO CC1CC[NH+](CCCNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000028069554 530591375 /nfs/dbraw/zinc/59/13/75/530591375.db2.gz IEYFRZMDLPCUSF-UHFFFAOYSA-N 1 0 387.571 1.692 20 0 GDADRO CC[NH+]1CCC(NC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)CC1 ZINC000028988399 530593258 /nfs/dbraw/zinc/59/32/58/530593258.db2.gz BZUCORLJJWTIAA-CYBMUJFWSA-N 1 0 385.559 1.822 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000172062674 530607824 /nfs/dbraw/zinc/60/78/24/530607824.db2.gz QZGNUQBTOGTEQF-UHFFFAOYSA-N 1 0 386.539 1.384 20 0 GDADRO COC1(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000167455349 530584254 /nfs/dbraw/zinc/58/42/54/530584254.db2.gz RDLNAYLPHNOSTL-AWEZNQCLSA-N 1 0 382.302 1.913 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1c(I)cnn1C ZINC000026533195 530585697 /nfs/dbraw/zinc/58/56/97/530585697.db2.gz PYJUVBSRKTVMKP-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000041640241 530623347 /nfs/dbraw/zinc/62/33/47/530623347.db2.gz FRBHVKFDURDFFP-ZDUSSCGKSA-N 1 0 397.317 1.530 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)C2)s1 ZINC000041970871 530625835 /nfs/dbraw/zinc/62/58/35/530625835.db2.gz SMLIMQNDLMADPO-CQSZACIVSA-N 1 0 387.571 1.914 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000042392925 530629454 /nfs/dbraw/zinc/62/94/54/530629454.db2.gz YSVBIHUEXDQMNL-HNNXBMFYSA-N 1 0 398.301 1.324 20 0 GDADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000042741300 530630626 /nfs/dbraw/zinc/63/06/26/530630626.db2.gz RBNMMNZGCIQUHM-LBPRGKRZSA-N 1 0 388.295 1.993 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)C1 ZINC000173923831 530640085 /nfs/dbraw/zinc/64/00/85/530640085.db2.gz WOFHCZVPNHUJQF-OAHLLOKOSA-N 1 0 388.555 1.751 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2ccc(Br)cc2)(N2CCOCC2)CC1 ZINC000040616300 530620457 /nfs/dbraw/zinc/62/04/57/530620457.db2.gz PYRYGVLRYZOUNW-UHFFFAOYSA-N 1 0 396.329 1.976 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000176381331 530682438 /nfs/dbraw/zinc/68/24/38/530682438.db2.gz NSAGKTIMIMMAKK-UHFFFAOYSA-N 1 0 387.933 1.761 20 0 GDADRO CC[NH+](CC)CCNC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000045544694 530644729 /nfs/dbraw/zinc/64/47/29/530644729.db2.gz GVSYOWDXBDLOAE-UHFFFAOYSA-N 1 0 388.559 1.542 20 0 GDADRO CN(CC(=O)N(C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000046468054 530652086 /nfs/dbraw/zinc/65/20/86/530652086.db2.gz CNEUADLDOZXJDQ-UHFFFAOYSA-N 1 0 379.935 1.575 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3cccc(Br)c3C2)CC1=O ZINC000174993495 530657459 /nfs/dbraw/zinc/65/74/59/530657459.db2.gz RUGJAFLDWAHVMV-AWEZNQCLSA-N 1 0 394.313 1.744 20 0 GDADRO C[C@H]1C[C@@H](N(C)C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC[N@@H+]1C ZINC000175105982 530659143 /nfs/dbraw/zinc/65/91/43/530659143.db2.gz JPNNZVDKAQPOGL-KBPBESRZSA-N 1 0 387.933 1.950 20 0 GDADRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000047634760 530661611 /nfs/dbraw/zinc/66/16/11/530661611.db2.gz CPCBKUOLJHTCLS-UHFFFAOYSA-N 1 0 387.571 1.690 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000047773103 530662764 /nfs/dbraw/zinc/66/27/64/530662764.db2.gz BGYPKHHPGSRKSJ-HNNXBMFYSA-N 1 0 385.555 1.893 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000175303700 530663512 /nfs/dbraw/zinc/66/35/12/530663512.db2.gz NLFQEYFCVXUIPM-LBPRGKRZSA-N 1 0 390.347 1.672 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[NH+]1CCCC1 ZINC000048128741 530665628 /nfs/dbraw/zinc/66/56/28/530665628.db2.gz RVRXEKXFDBKTFJ-CABCVRRESA-N 1 0 385.555 1.892 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1I ZINC000048490731 530669053 /nfs/dbraw/zinc/66/90/53/530669053.db2.gz NQCWNMYMRMSOGP-UHFFFAOYSA-N 1 0 389.237 1.606 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2I)C1 ZINC000048758682 530670881 /nfs/dbraw/zinc/67/08/81/530670881.db2.gz FOKKZUTUVNTNMI-SNVBAGLBSA-N 1 0 387.221 1.440 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cn1 ZINC000175842403 530671280 /nfs/dbraw/zinc/67/12/80/530671280.db2.gz JBNSGLGYBJQVDJ-ZFWWWQNUSA-N 1 0 384.527 1.348 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000175912905 530672520 /nfs/dbraw/zinc/67/25/20/530672520.db2.gz PSEMFKZKKDPVFT-IUODEOHRSA-N 1 0 395.301 1.505 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000049278028 530673252 /nfs/dbraw/zinc/67/32/52/530673252.db2.gz GLKFJJAZNVXAJS-UHFFFAOYSA-N 1 0 383.290 1.141 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000175940743 530673371 /nfs/dbraw/zinc/67/33/71/530673371.db2.gz QCBJSLFYGUDMNG-CQSZACIVSA-N 1 0 385.486 1.828 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCc1ccn2ccnc2c1 ZINC000178404747 530720460 /nfs/dbraw/zinc/72/04/60/530720460.db2.gz BMNXEWRYRAJFIN-UHFFFAOYSA-N 1 0 379.463 1.525 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000177024602 530696254 /nfs/dbraw/zinc/69/62/54/530696254.db2.gz FQLWGQCVTSJDCG-GFCCVEGCSA-N 1 0 384.274 1.915 20 0 GDADRO C[N@H+](CCNC(=O)NCc1ccc(S(N)(=O)=O)s1)Cc1ccccc1 ZINC000054762491 530701947 /nfs/dbraw/zinc/70/19/47/530701947.db2.gz RCNRWBZJOADMCS-UHFFFAOYSA-N 1 0 382.511 1.327 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000056844955 530721043 /nfs/dbraw/zinc/72/10/43/530721043.db2.gz JXIYRPQDBUKLOX-AAEUAGOBSA-N 1 0 387.552 1.896 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000056197737 530718374 /nfs/dbraw/zinc/71/83/74/530718374.db2.gz RUNIOWLBQBCVBP-ZDUSSCGKSA-N 1 0 380.495 1.159 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccncc2Br)CC1 ZINC000178274797 530718661 /nfs/dbraw/zinc/71/86/61/530718661.db2.gz GONLYTCUEYOZNB-UHFFFAOYSA-N 1 0 383.290 1.374 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000178562712 530723481 /nfs/dbraw/zinc/72/34/81/530723481.db2.gz SMZPPSOHCRWHLK-GFCCVEGCSA-N 1 0 389.315 1.810 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)NC[C@@H]2CCC[NH2+]2)c1F ZINC000178759964 530727391 /nfs/dbraw/zinc/72/73/91/530727391.db2.gz NGTOWWJFHAZIGT-VIFPVBQESA-N 1 0 379.251 1.474 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000178745986 530727457 /nfs/dbraw/zinc/72/74/57/530727457.db2.gz GZDSCUJEENHADV-OAHLLOKOSA-N 1 0 385.917 1.609 20 0 GDADRO O[C@@H](COc1ccc(Br)cc1)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000057942214 530729929 /nfs/dbraw/zinc/72/99/29/530729929.db2.gz ZITYHVWJMAHQBV-AEFFLSMTSA-N 1 0 399.329 1.985 20 0 GDADRO O[C@H](COc1ccc(Br)cc1)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000057942222 530730068 /nfs/dbraw/zinc/73/00/68/530730068.db2.gz ZITYHVWJMAHQBV-FUHWJXTLSA-N 1 0 399.329 1.985 20 0 GDADRO C[NH2+]C1CCN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)CC1 ZINC000178951388 530732153 /nfs/dbraw/zinc/73/21/53/530732153.db2.gz MOWSLKOXBFKTOE-UHFFFAOYSA-N 1 0 391.287 1.593 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000178952106 530732176 /nfs/dbraw/zinc/73/21/76/530732176.db2.gz HSGZOMYHMUYJKC-UHFFFAOYSA-N 1 0 377.913 1.878 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000179815750 530750698 /nfs/dbraw/zinc/75/06/98/530750698.db2.gz VLNUICNZKZWWMS-NWDGAFQWSA-N 1 0 381.274 1.786 20 0 GDADRO Cc1[nH]c(=S)sc1CC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000066344000 530761063 /nfs/dbraw/zinc/76/10/63/530761063.db2.gz JBDRSAWLFUERHK-UHFFFAOYSA-N 1 0 377.539 1.746 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)CC(C)C ZINC000179639147 530746510 /nfs/dbraw/zinc/74/65/10/530746510.db2.gz COMKWRDJLTZTLT-JKSUJKDBSA-N 1 0 376.567 1.418 20 0 GDADRO COc1cccc([C@@H](CNC(=O)c2csc(S(N)(=O)=O)c2)[NH+](C)C)c1 ZINC000063654247 530746789 /nfs/dbraw/zinc/74/67/89/530746789.db2.gz IKWKAAYTLWGXEU-CQSZACIVSA-N 1 0 383.495 1.437 20 0 GDADRO Cn1cc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c(=O)n(C)c1=O ZINC000179754809 530749429 /nfs/dbraw/zinc/74/94/29/530749429.db2.gz JGWKIVPTECKMON-GJZGRUSLSA-N 1 0 384.263 1.481 20 0 GDADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1cccnc1Cl ZINC000181109886 530778549 /nfs/dbraw/zinc/77/85/49/530778549.db2.gz VBEVDRHNKGSRKL-GFCCVEGCSA-N 1 0 383.905 1.972 20 0 GDADRO O=C(NCC[NH2+]CC1=Cc2cc(Br)ccc2OC1)c1ccn[nH]1 ZINC000181142328 530778988 /nfs/dbraw/zinc/77/89/88/530778988.db2.gz LSUNELIPRGYICM-UHFFFAOYSA-N 1 0 377.242 1.968 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NCCNc2cccc(Br)c2)CC1=O ZINC000180362842 530765093 /nfs/dbraw/zinc/76/50/93/530765093.db2.gz LDHVNAIGRCBPNH-CYBMUJFWSA-N 1 0 397.317 1.387 20 0 GDADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]C(C)(C)COc1ncccc1Br ZINC000180395844 530765878 /nfs/dbraw/zinc/76/58/78/530765878.db2.gz XUSSRCGPLHNOJT-JTQLQIEISA-N 1 0 387.278 1.825 20 0 GDADRO CC(C)(COc1ncccc1Br)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000180396373 530765961 /nfs/dbraw/zinc/76/59/61/530765961.db2.gz CQPKPZILNGZLJP-UHFFFAOYSA-N 1 0 399.289 1.922 20 0 GDADRO NC(=O)[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000069873975 530800658 /nfs/dbraw/zinc/80/06/58/530800658.db2.gz ZFHPFLVAFBRFDM-ZDUSSCGKSA-N 1 0 379.404 1.364 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c1cccs1)c1ccccc1 ZINC000070755594 530802397 /nfs/dbraw/zinc/80/23/97/530802397.db2.gz CLYNSELOBWURSY-HNNXBMFYSA-N 1 0 381.523 1.836 20 0 GDADRO COCCN(C(=O)C[NH2+][C@H](C)c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000182750181 530804301 /nfs/dbraw/zinc/80/43/01/530804301.db2.gz KSDTWYVNOHLADP-HIFRSBDPSA-N 1 0 388.555 1.678 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCCS(=O)(=O)NCC1CCC1)c1cccs1 ZINC000069126155 530795469 /nfs/dbraw/zinc/79/54/69/530795469.db2.gz WMOFTVDRYLWHHG-AWEZNQCLSA-N 1 0 388.559 1.370 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000184377575 530827555 /nfs/dbraw/zinc/82/75/55/530827555.db2.gz OXKCWEAHFPSIBB-LBPRGKRZSA-N 1 0 398.301 1.934 20 0 GDADRO CN(CC(=O)N1C[C@H]2CC[C@H]([NH3+])[C@@H]2C1)C(=O)c1ccc(Br)s1 ZINC000184996044 530834216 /nfs/dbraw/zinc/83/42/16/530834216.db2.gz GSYJJDPVIKYXEC-MXWKQRLJSA-N 1 0 386.315 1.778 20 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530819977 /nfs/dbraw/zinc/81/99/77/530819977.db2.gz NZAZVDUPGLMHSN-ZDUSSCGKSA-N 1 0 385.452 1.381 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Cl)C[NH+]1CCN(C)CC1 ZINC000097577782 530821316 /nfs/dbraw/zinc/82/13/16/530821316.db2.gz IWRJDJKPOBQMEO-GFCCVEGCSA-N 1 0 387.311 1.932 20 0 GDADRO C[NH2+]Cc1cn(CC(=O)Nc2ccc(I)cc2C)nn1 ZINC000097526623 530821704 /nfs/dbraw/zinc/82/17/04/530821704.db2.gz IWRRCOKBPNOBTP-UHFFFAOYSA-N 1 0 385.209 1.549 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000184061699 530824755 /nfs/dbraw/zinc/82/47/55/530824755.db2.gz KSKKLUSNDRAZDV-UHFFFAOYSA-N 1 0 383.901 1.715 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000102062658 530826858 /nfs/dbraw/zinc/82/68/58/530826858.db2.gz HYXGRDWSCHTVGI-UHFFFAOYSA-N 1 0 388.559 1.541 20 0 GDADRO CSc1ccc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000185741644 530846355 /nfs/dbraw/zinc/84/63/55/530846355.db2.gz MFIDFYBFACQBLJ-LBPRGKRZSA-N 1 0 377.963 1.976 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000106533096 530848760 /nfs/dbraw/zinc/84/87/60/530848760.db2.gz WNMQGUXJSZKAIO-GFCCVEGCSA-N 1 0 389.331 1.735 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cc(F)c(F)cc3F)C2)CC1 ZINC000106893736 530850995 /nfs/dbraw/zinc/85/09/95/530850995.db2.gz CIGMDCWUCIQPOY-LBPRGKRZSA-N 1 0 377.432 1.504 20 0 GDADRO CNC(=O)CN1CCC(NC(=O)CCc2cc(Br)cs2)CC1 ZINC000107110044 530852551 /nfs/dbraw/zinc/85/25/51/530852551.db2.gz SQRFRIRDTSNLQZ-UHFFFAOYSA-N 1 0 388.331 1.770 20 0 GDADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000107300667 530853268 /nfs/dbraw/zinc/85/32/68/530853268.db2.gz GXLWYDNWYJCPGK-LBPRGKRZSA-N 1 0 392.319 1.333 20 0 GDADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000107302466 530853552 /nfs/dbraw/zinc/85/35/52/530853552.db2.gz AHGCCOCCXVPTKI-CYBMUJFWSA-N 1 0 381.420 1.633 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000186302256 530855179 /nfs/dbraw/zinc/85/51/79/530855179.db2.gz VEISCLYPDOHUGG-OAHLLOKOSA-N 1 0 378.270 1.838 20 0 GDADRO Cc1c(C(=O)NCC2=CC[NH2+]CC2)cc(Br)cc1S(N)(=O)=O ZINC000186347004 530855693 /nfs/dbraw/zinc/85/56/93/530855693.db2.gz RQCZHBROIHXHSO-UHFFFAOYSA-N 1 0 388.287 1.054 20 0 GDADRO CN(CC[N@H+](C)C1CC1)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000186741279 530861189 /nfs/dbraw/zinc/86/11/89/530861189.db2.gz XJPKQCCRZMLBNK-UHFFFAOYSA-N 1 0 375.441 1.647 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(Br)s1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000111402979 530874944 /nfs/dbraw/zinc/87/49/44/530874944.db2.gz LFZIZMDGIZEVJP-VHSXEESVSA-N 1 0 395.344 1.540 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)s1 ZINC000187383252 530871783 /nfs/dbraw/zinc/87/17/83/530871783.db2.gz XTBUORYRPACFFA-LBPRGKRZSA-N 1 0 380.557 1.138 20 0 GDADRO COC(=O)CNC(=O)CC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000111200709 530872980 /nfs/dbraw/zinc/87/29/80/530872980.db2.gz MXZCWPXUICWOFS-XJKSGUPXSA-N 1 0 375.252 1.563 20 0 GDADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000185336083 530840034 /nfs/dbraw/zinc/84/00/34/530840034.db2.gz ZKDKDXGSBGPYRW-CYBMUJFWSA-N 1 0 387.933 1.847 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000185337477 530840367 /nfs/dbraw/zinc/84/03/67/530840367.db2.gz SQIRGSZJCCHQTQ-CYBMUJFWSA-N 1 0 385.921 1.292 20 0 GDADRO CCN(CCC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000105401598 530842620 /nfs/dbraw/zinc/84/26/20/530842620.db2.gz IGVNPRWKYQSFSK-CYBMUJFWSA-N 1 0 392.319 1.237 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000185588274 530843840 /nfs/dbraw/zinc/84/38/40/530843840.db2.gz SKDXCCUBVSFDKB-UHFFFAOYSA-N 1 0 385.306 1.772 20 0 GDADRO C[C@H](CNC(=O)CSc1nnnn1CC(F)(F)F)[NH+]1CCC(C)CC1 ZINC000106019186 530845076 /nfs/dbraw/zinc/84/50/76/530845076.db2.gz WMXDZFUPMGYOFF-LLVKDONJSA-N 1 0 380.440 1.564 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000115433344 530899687 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C[NH+]1CCN(CCNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000189104071 530908614 /nfs/dbraw/zinc/90/86/14/530908614.db2.gz YQVAPTATZIFSOK-UHFFFAOYSA-N 1 0 385.839 1.885 20 0 GDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000116900966 530909863 /nfs/dbraw/zinc/90/98/63/530909863.db2.gz RONOAKGRZRDHQS-NSHDSACASA-N 1 0 381.267 1.539 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000187719868 530876658 /nfs/dbraw/zinc/87/66/58/530876658.db2.gz QZMUPFWQRSMWHW-VWLOTQADSA-N 1 0 385.917 1.710 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)Oc1ccccc1Br ZINC000112295769 530880566 /nfs/dbraw/zinc/88/05/66/530880566.db2.gz SWTJVWQFWDSKES-KBPBESRZSA-N 1 0 384.318 1.969 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000112309152 530880649 /nfs/dbraw/zinc/88/06/49/530880649.db2.gz MGMHTBBCCWQLKQ-UHFFFAOYSA-N 1 0 396.285 1.893 20 0 GDADRO O=C(C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1)N1CCNC(=O)C1 ZINC000188188597 530888084 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O=S(=O)(N1CCOCC1)N1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000118453846 530917230 /nfs/dbraw/zinc/91/72/30/530917230.db2.gz DTOSRKBTYRSMDA-UHFFFAOYSA-N 1 0 375.441 1.096 20 0 GDADRO O=C1[C@@H](NS(=O)(=O)CC[NH+]2CCCC2)CCN1c1ccc(F)c(Cl)c1 ZINC000189800240 530921136 /nfs/dbraw/zinc/92/11/36/530921136.db2.gz IKNFRZXBBMPKHM-HNNXBMFYSA-N 1 0 389.880 1.600 20 0 GDADRO CS(=O)(=O)N1CC(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000189975379 530923355 /nfs/dbraw/zinc/92/33/55/530923355.db2.gz HCSMRJMSCHYYLX-AWEZNQCLSA-N 1 0 386.543 1.076 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N(C)CC[NH+](C)C ZINC000119436328 530926270 /nfs/dbraw/zinc/92/62/70/530926270.db2.gz YTVPEDDXYSOVKS-NSHDSACASA-N 1 0 381.420 1.392 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000119444807 530926334 /nfs/dbraw/zinc/92/63/34/530926334.db2.gz ZMAWLBDOTUKZHC-GXFFZTMASA-N 1 0 383.290 1.890 20 0 GDADRO C[NH2+]CCCNC(=O)c1cc(OC)c(OC)cc1I ZINC000121513341 530957902 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C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccsc1 ZINC000264922379 531210834 /nfs/dbraw/zinc/21/08/34/531210834.db2.gz MLMIPHYMRDGCNT-RYUDHWBXSA-N 1 0 378.420 1.813 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000407999103 531210479 /nfs/dbraw/zinc/21/04/79/531210479.db2.gz UTVXGJJZJHCVEU-OAHLLOKOSA-N 1 0 389.880 1.406 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)s1 ZINC000471848165 531212018 /nfs/dbraw/zinc/21/20/18/531212018.db2.gz TUONBELIPDEWCS-ZDUSSCGKSA-N 1 0 389.543 1.452 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CCOC)s1 ZINC000471848164 531212107 /nfs/dbraw/zinc/21/21/07/531212107.db2.gz TUONBELIPDEWCS-CYBMUJFWSA-N 1 0 389.543 1.452 20 0 GDADRO Cc1csc(C(=O)NCC2(O)CC[NH+](C)CC2)c1I ZINC000276520123 531211694 /nfs/dbraw/zinc/21/16/94/531211694.db2.gz MCVNALLRYNNZEO-UHFFFAOYSA-N 1 0 394.278 1.848 20 0 GDADRO C[N@H+](CCNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000290179418 531214327 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NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCc1cn3c(n1)SCC3)CCC2 ZINC000290316291 531223001 /nfs/dbraw/zinc/22/30/01/531223001.db2.gz CPUWLNTUKHISNT-MRXNPFEDSA-N 1 0 378.523 1.846 20 0 GDADRO CN1CCN(C)[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000276732271 531224597 /nfs/dbraw/zinc/22/45/97/531224597.db2.gz QWLAEQNRKUGUBZ-QGZVFWFLSA-N 1 0 397.361 1.621 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br)C1CC1 ZINC000276729196 531224925 /nfs/dbraw/zinc/22/49/25/531224925.db2.gz IWQLLRGJFNNLGI-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C(C)C)C2CCC2)cc[nH+]1 ZINC000349474851 531223501 /nfs/dbraw/zinc/22/35/01/531223501.db2.gz KNWSKACXFVXBAA-UHFFFAOYSA-N 1 0 389.543 1.536 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000472320160 531226130 /nfs/dbraw/zinc/22/61/30/531226130.db2.gz NUWPTNPEVPAANA-UHFFFAOYSA-N 1 0 375.535 1.313 20 0 GDADRO CN(C)S(=O)(=O)n1ccnc1CN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000290354294 531226426 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CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000279720593 531451212 /nfs/dbraw/zinc/45/12/12/531451212.db2.gz IUIAEGCTKSGFSE-LBPRGKRZSA-N 1 0 394.921 1.992 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cnn(C)c1I ZINC000293925874 531452486 /nfs/dbraw/zinc/45/24/86/531452486.db2.gz GZSWJNBAULODSS-PWSUYJOCSA-N 1 0 388.253 1.724 20 0 GDADRO Cc1cccc(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1F ZINC000414456394 531454660 /nfs/dbraw/zinc/45/46/60/531454660.db2.gz JKOHQPYFDQBWER-AWEZNQCLSA-N 1 0 392.518 1.264 20 0 GDADRO CCc1cccc(S(=O)(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000414463395 531455459 /nfs/dbraw/zinc/45/54/59/531455459.db2.gz VLBBIADOUPNIQJ-MRXNPFEDSA-N 1 0 388.555 1.379 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000537175837 531456474 /nfs/dbraw/zinc/45/64/74/531456474.db2.gz CSRLJNALLFXXFF-OAHLLOKOSA-N 1 0 389.543 1.601 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1Br ZINC000486387140 531450240 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Cc1c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc(Br)cc1S(N)(=O)=O ZINC000449729026 531474872 /nfs/dbraw/zinc/47/48/72/531474872.db2.gz YJJGWJHANYPLGB-ONGXEEELSA-N 1 0 390.303 1.262 20 0 GDADRO COc1cc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc(Cl)c1OCC(N)=O ZINC000414538858 531458558 /nfs/dbraw/zinc/45/85/58/531458558.db2.gz RMULKOMSIFBSLS-ABAIWWIYSA-N 1 0 378.803 1.851 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000414680334 531461666 /nfs/dbraw/zinc/46/16/66/531461666.db2.gz MUDUKELEZAVZGD-NSHDSACASA-N 1 0 390.893 1.077 20 0 GDADRO CCCCNS(=O)(=O)c1cccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000414738586 531462774 /nfs/dbraw/zinc/46/27/74/531462774.db2.gz BNPYTKOIZVJJSB-ZDUSSCGKSA-N 1 0 378.445 1.869 20 0 GDADRO CC(C)NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000414742077 531462842 /nfs/dbraw/zinc/46/28/42/531462842.db2.gz NBSQAIVLGBEFJN-CYBMUJFWSA-N 1 0 376.429 1.492 20 0 GDADRO Cc1c(Cl)c(C(=O)Nc2ccnn2CC[NH+](C)C)sc1S(N)(=O)=O ZINC000294148877 531464476 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O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363020828 531468296 /nfs/dbraw/zinc/46/82/96/531468296.db2.gz VTVDGLGJFQNNAD-UONOGXRCSA-N 1 0 385.917 1.751 20 0 GDADRO COc1cc(F)cc(C[NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)c1 ZINC000449249471 531468633 /nfs/dbraw/zinc/46/86/33/531468633.db2.gz LTYHIDQUTAWEOY-UHFFFAOYSA-N 1 0 375.447 1.373 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc(F)cc1I ZINC000415254475 531469698 /nfs/dbraw/zinc/46/96/98/531469698.db2.gz SMISOJVIVTURJM-SNVBAGLBSA-N 1 0 393.200 1.930 20 0 GDADRO Cn1ncc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1I ZINC000294254482 531469797 /nfs/dbraw/zinc/46/97/97/531469797.db2.gz SRVSFXRTMWOLOR-AWEZNQCLSA-N 1 0 388.253 1.583 20 0 GDADRO COCCN(C)c1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cn1 ZINC000449374778 531470190 /nfs/dbraw/zinc/47/01/90/531470190.db2.gz GGHHQYVIZRQGEJ-UHFFFAOYSA-N 1 0 395.301 1.878 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1OC ZINC000415348391 531477723 /nfs/dbraw/zinc/47/77/23/531477723.db2.gz VOJCAZAQBBLCMW-SECBINFHSA-N 1 0 386.246 1.225 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000415289686 531471688 /nfs/dbraw/zinc/47/16/88/531471688.db2.gz ALXMQYPYBMBOPI-SSDOTTSWSA-N 1 0 380.164 1.966 20 0 GDADRO CCCSc1nsc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000415289386 531472028 /nfs/dbraw/zinc/47/20/28/531472028.db2.gz CLLIWEZFBCQFOG-NSHDSACASA-N 1 0 386.547 1.892 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)C1 ZINC000415351794 531477767 /nfs/dbraw/zinc/47/77/67/531477767.db2.gz JDKLUUZYXGUCRC-LBPRGKRZSA-N 1 0 382.251 1.736 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000415368784 531479600 /nfs/dbraw/zinc/47/96/00/531479600.db2.gz KUDQDAFNKUXAOS-VIFPVBQESA-N 1 0 380.164 1.966 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1cccc(F)c1I ZINC000415367480 531480160 /nfs/dbraw/zinc/48/01/60/531480160.db2.gz YKRRLUZRPZYMIS-QMMMGPOBSA-N 1 0 379.173 1.540 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2ccc(I)cc2)CC1 ZINC000415373976 531480803 /nfs/dbraw/zinc/48/08/03/531480803.db2.gz UTQHZCZEVAADMT-UHFFFAOYSA-N 1 0 387.221 1.616 20 0 GDADRO CC[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280200387 531480824 /nfs/dbraw/zinc/48/08/24/531480824.db2.gz BJYXWCLBQSANKR-HUUCEWRRSA-N 1 0 386.905 1.756 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cc2c(s1)CCOC2)[C@H]1CCS(=O)(=O)C1 ZINC000268170303 531480858 /nfs/dbraw/zinc/48/08/58/531480858.db2.gz JVOTZEVCPXSFBA-AWEZNQCLSA-N 1 0 386.539 1.402 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)NCC[C@H](C)[NH3+])cc1Cl ZINC000415378772 531480904 /nfs/dbraw/zinc/48/09/04/531480904.db2.gz PVRFSDOYXVWQQQ-VIFPVBQESA-N 1 0 378.256 1.811 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1Br ZINC000268166073 531481221 /nfs/dbraw/zinc/48/12/21/531481221.db2.gz KQRNXLRKIOIFBE-HZMBPMFUSA-N 1 0 396.285 1.995 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cccc(I)c1 ZINC000415389057 531481652 /nfs/dbraw/zinc/48/16/52/531481652.db2.gz FUHUCRLWPNPQBY-SNVBAGLBSA-N 1 0 387.221 1.346 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415381860 531481791 /nfs/dbraw/zinc/48/17/91/531481791.db2.gz RMBHRXYNOFVDPW-JTQLQIEISA-N 1 0 384.230 1.042 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000415391790 531482382 /nfs/dbraw/zinc/48/23/82/531482382.db2.gz WVIKSZVSFAQOFC-SNVBAGLBSA-N 1 0 384.274 1.982 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415392332 531482433 /nfs/dbraw/zinc/48/24/33/531482433.db2.gz XQHMJEYEQIHVEL-UHFFFAOYSA-N 1 0 390.209 1.167 20 0 GDADRO COC(=O)c1cc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1Br ZINC000415407375 531483151 /nfs/dbraw/zinc/48/31/51/531483151.db2.gz PNXICHFFECFZHR-NSHDSACASA-N 1 0 386.246 1.817 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000268193286 531483306 /nfs/dbraw/zinc/48/33/06/531483306.db2.gz NHTDEJIWBIVWOV-WFASDCNBSA-N 1 0 385.917 1.607 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)cc1Br ZINC000415402901 531483346 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COc1ccc(I)c(NC(=O)C(=O)NCC(C)(C)[NH3+])c1 ZINC000415462043 531487580 /nfs/dbraw/zinc/48/75/80/531487580.db2.gz GIJNHBUIPFUTDC-UHFFFAOYSA-N 1 0 391.209 1.092 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[C@@H]1[NH3+] ZINC000415457276 531487587 /nfs/dbraw/zinc/48/75/87/531487587.db2.gz XJWZEEXVTKUPEH-XCBNKYQSSA-N 1 0 376.201 1.862 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000415458206 531488118 /nfs/dbraw/zinc/48/81/18/531488118.db2.gz YBAMBTWTHSDDPO-QWRGUYRKSA-N 1 0 384.274 1.982 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000415464563 531488454 /nfs/dbraw/zinc/48/84/54/531488454.db2.gz DAJMPQKYELEIOJ-KRTXAFLBSA-N 1 0 390.209 1.077 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(F)c2I)C1 ZINC000545153818 531489036 /nfs/dbraw/zinc/48/90/36/531489036.db2.gz YQABPXKEGKIZSU-CYBMUJFWSA-N 1 0 378.185 1.227 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000415483279 531489863 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C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(I)cc1 ZINC000415520941 531491708 /nfs/dbraw/zinc/49/17/08/531491708.db2.gz KYVGDVKXXGYGQB-UWVGGRQHSA-N 1 0 387.221 1.425 20 0 GDADRO CC(C)(NS(C)(=O)=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000363569380 531492023 /nfs/dbraw/zinc/49/20/23/531492023.db2.gz UDDZIQHZFANEOW-UHFFFAOYSA-N 1 0 377.576 1.182 20 0 GDADRO Cn1ncc(Br)c1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000450288295 531492935 /nfs/dbraw/zinc/49/29/35/531492935.db2.gz SUJMRGMHDYNHEE-KBPBESRZSA-N 1 0 393.285 1.548 20 0 GDADRO C[NH2+]CCCNC(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000415359174 531478170 /nfs/dbraw/zinc/47/81/70/531478170.db2.gz JYCWUFPEHZAQLZ-UHFFFAOYSA-N 1 0 391.209 1.809 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000415354002 531478213 /nfs/dbraw/zinc/47/82/13/531478213.db2.gz BAQNDCRFMKYEHW-SNVBAGLBSA-N 1 0 391.209 1.937 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@@H]1CCC[NH2+]C1 ZINC000415352599 531478385 /nfs/dbraw/zinc/47/83/85/531478385.db2.gz PRAJBASDGZYFTL-CMPLNLGQSA-N 1 0 398.276 1.982 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658430333 531510994 /nfs/dbraw/zinc/51/09/94/531510994.db2.gz BLDGGGRPDIOECS-UHFFFAOYSA-N 1 0 398.301 1.306 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000658428186 531511049 /nfs/dbraw/zinc/51/10/49/531511049.db2.gz SKKZLVWXLVZCED-UHFFFAOYSA-N 1 0 376.835 1.556 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415677621 531512512 /nfs/dbraw/zinc/51/25/12/531512512.db2.gz VEQGRKPRCZOXJE-PHIMTYICSA-N 1 0 382.258 1.464 20 0 GDADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000489862074 531512980 /nfs/dbraw/zinc/51/29/80/531512980.db2.gz UORGLUYLHIOYRS-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000415687059 531513379 /nfs/dbraw/zinc/51/33/79/531513379.db2.gz IOODKLAZUJZVFT-CQSZACIVSA-N 1 0 387.221 1.427 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415689113 531513426 /nfs/dbraw/zinc/51/34/26/531513426.db2.gz KLRLVJXASWFXSI-INIZCTEOSA-N 1 0 381.274 1.857 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000658540814 531514931 /nfs/dbraw/zinc/51/49/31/531514931.db2.gz BLHJKOYNJDPRMT-UHFFFAOYSA-N 1 0 391.269 1.956 20 0 GDADRO COc1ncc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)c(C)c1Br ZINC000658541315 531514993 /nfs/dbraw/zinc/51/49/93/531514993.db2.gz LIKICUSQPIQSLT-UHFFFAOYSA-N 1 0 385.262 1.120 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489956809 531517083 /nfs/dbraw/zinc/51/70/83/531517083.db2.gz NVCMMUMGIGRULO-KGLIPLIRSA-N 1 0 381.318 1.756 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(F)cc1I ZINC000415548252 531493693 /nfs/dbraw/zinc/49/36/93/531493693.db2.gz QQAMSMMGXLQTDR-UHFFFAOYSA-N 1 0 379.173 1.047 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(C)c(I)c1 ZINC000415545720 531493747 /nfs/dbraw/zinc/49/37/47/531493747.db2.gz LFGCRWRDZJQGAM-UHFFFAOYSA-N 1 0 375.210 1.216 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(Br)cnc2C)CC1 ZINC000415546583 531493868 /nfs/dbraw/zinc/49/38/68/531493868.db2.gz CZEFVLKYEGJRJD-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000415714135 531518697 /nfs/dbraw/zinc/51/86/97/531518697.db2.gz UDNDBJHPJYWEEH-CQSZACIVSA-N 1 0 395.301 1.202 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000268321761 531494022 /nfs/dbraw/zinc/49/40/22/531494022.db2.gz FVZPBBQICHLRCV-AWEZNQCLSA-N 1 0 380.286 1.957 20 0 GDADRO CC1(CNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC[NH2+]CC1 ZINC000415557443 531494419 /nfs/dbraw/zinc/49/44/19/531494419.db2.gz HZOFACMLBZYMKD-UHFFFAOYSA-N 1 0 398.276 1.983 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415558707 531494543 /nfs/dbraw/zinc/49/45/43/531494543.db2.gz JUQAKCRUWGCHKW-GHMZBOCLSA-N 1 0 384.274 1.900 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)C1 ZINC000415556304 531494836 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C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2I)C1 ZINC000415572125 531496898 /nfs/dbraw/zinc/49/68/98/531496898.db2.gz MZXWYWBAMVDWFI-VHSXEESVSA-N 1 0 387.221 1.425 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C(=O)Nc1c(F)cc(C)cc1I ZINC000415714950 531518900 /nfs/dbraw/zinc/51/89/00/531518900.db2.gz APIONIRXEQDEMV-MRVPVSSYSA-N 1 0 393.200 1.401 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000548106516 531502501 /nfs/dbraw/zinc/50/25/01/531502501.db2.gz ZGHYOOVJSAOXIK-NHYWBVRUSA-N 1 0 380.286 1.778 20 0 GDADRO C[C@H](C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000635702596 531502654 /nfs/dbraw/zinc/50/26/54/531502654.db2.gz BRFXIZYQHAFNST-CYBMUJFWSA-N 1 0 397.317 1.482 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415620004 531504286 /nfs/dbraw/zinc/50/42/86/531504286.db2.gz UBLAPTVOTSEFRN-JMCQJSRRSA-N 1 0 376.201 1.780 20 0 GDADRO Cc1sc2c(cccc2C)c1S(=O)(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000658408976 531505797 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GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(I)c2)CC[NH2+]1 ZINC000415660820 531510290 /nfs/dbraw/zinc/51/02/90/531510290.db2.gz OCZODVCUHXXJFH-BXKDBHETSA-N 1 0 387.221 1.486 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1Br ZINC000415726822 531520644 /nfs/dbraw/zinc/52/06/44/531520644.db2.gz PEDCGBITIYKSSH-ZDUSSCGKSA-N 1 0 395.301 1.202 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(I)ccc1C ZINC000415794045 531532515 /nfs/dbraw/zinc/53/25/15/531532515.db2.gz VKMMMKSWEYATGA-SNVBAGLBSA-N 1 0 375.210 1.392 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415742939 531522134 /nfs/dbraw/zinc/52/21/34/531522134.db2.gz LEPSZXNXJLVJNS-CABZTGNLSA-N 1 0 382.251 2.066 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)c3c(Br)cnn3C)CC2)c1 ZINC000295111019 531523541 /nfs/dbraw/zinc/52/35/41/531523541.db2.gz LBWGRAPCXNLOJM-UHFFFAOYSA-N 1 0 380.246 1.549 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1I ZINC000415744251 531523841 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O=C(NCCCC[NH+]1CCOCC1)C(=O)NCc1ccc(Br)cc1 ZINC000550785456 531527373 /nfs/dbraw/zinc/52/73/73/531527373.db2.gz UKYGOEUWIZCKBE-UHFFFAOYSA-N 1 0 398.301 1.294 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000557836878 531527660 /nfs/dbraw/zinc/52/76/60/531527660.db2.gz CYUQPGGNEBZANO-GDBMZVCRSA-N 1 0 391.603 1.380 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(OC)ccc1I ZINC000415780690 531527982 /nfs/dbraw/zinc/52/79/82/531527982.db2.gz DIGVWCYSNXCZKY-QMMMGPOBSA-N 1 0 391.209 1.092 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N[C@H](C)CCC[NH3+] ZINC000415778150 531528171 /nfs/dbraw/zinc/52/81/71/531528171.db2.gz GRXWRHZKAWAYFM-SNVBAGLBSA-N 1 0 389.237 1.782 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1ccc(I)cc1OC ZINC000415775957 531528766 /nfs/dbraw/zinc/52/87/66/531528766.db2.gz VUOLFGVZARHNBB-UHFFFAOYSA-N 1 0 393.225 1.657 20 0 GDADRO COc1ccc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c(Br)c1 ZINC000280720106 531530989 /nfs/dbraw/zinc/53/09/89/531530989.db2.gz MEXFPTZVQXBUHJ-UHFFFAOYSA-N 1 0 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AAAIGGBYOHDTGH-QLJPJBMISA-N 1 0 384.274 1.840 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000415842031 531542121 /nfs/dbraw/zinc/54/21/21/531542121.db2.gz WHCKNCNBHKQEJP-SNVBAGLBSA-N 1 0 389.681 1.061 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)C(F)(F)F ZINC000415843776 531542470 /nfs/dbraw/zinc/54/24/70/531542470.db2.gz STLWDXDBPBVVRX-SECBINFHSA-N 1 0 386.143 1.923 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415849936 531543338 /nfs/dbraw/zinc/54/33/38/531543338.db2.gz GBDITFCOUWQOGA-JTQLQIEISA-N 1 0 378.782 1.317 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1C[NH3+] ZINC000415855739 531543608 /nfs/dbraw/zinc/54/36/08/531543608.db2.gz YXMCPSAXTHGDEA-GHMZBOCLSA-N 1 0 387.889 1.125 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280820745 531543754 /nfs/dbraw/zinc/54/37/54/531543754.db2.gz NIFQLANTJJKKCC-PBFPGSCMSA-N 1 0 383.286 1.695 20 0 GDADRO 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531583759 /nfs/dbraw/zinc/58/37/59/531583759.db2.gz PNGOSJOGRMPDAY-OBCWZRDOSA-N 1 0 383.279 1.803 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1C ZINC000660009093 531584219 /nfs/dbraw/zinc/58/42/19/531584219.db2.gz LXGSKJRGAUSINV-AWEZNQCLSA-N 1 0 389.543 1.008 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC000614039365 531584754 /nfs/dbraw/zinc/58/47/54/531584754.db2.gz CNHFMQKSZUSWGD-UHFFFAOYSA-N 1 0 392.308 1.436 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000614040556 531586150 /nfs/dbraw/zinc/58/61/50/531586150.db2.gz UWDMYZJYTZXWTL-UHFFFAOYSA-N 1 0 392.308 1.436 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000281146835 531586842 /nfs/dbraw/zinc/58/68/42/531586842.db2.gz BWSIJMYKBMLFIU-UHFFFAOYSA-N 1 0 389.905 1.218 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000614065827 531587069 /nfs/dbraw/zinc/58/70/69/531587069.db2.gz VXBCKBAMGXCQPE-MRXNPFEDSA-N 1 0 382.302 1.791 20 0 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ZINC000661081150 531640687 /nfs/dbraw/zinc/64/06/87/531640687.db2.gz QOJFCNPJKSQIHF-MRXNPFEDSA-N 1 0 388.917 1.645 20 0 GDADRO O=C(CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1ccccc1Br ZINC000662153295 531669686 /nfs/dbraw/zinc/66/96/86/531669686.db2.gz AFWHWONXAJCBCW-CQSZACIVSA-N 1 0 382.302 1.919 20 0 GDADRO CN(C)S(=O)(=O)C[C@@H](OC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(F)(F)F ZINC000365650989 531669792 /nfs/dbraw/zinc/66/97/92/531669792.db2.gz OYHKVUAVUWLESD-ZWNOBZJWSA-N 1 0 392.415 1.564 20 0 GDADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638240547 531650051 /nfs/dbraw/zinc/65/00/51/531650051.db2.gz KAUHWVDAOWKZNP-NRSFXHEJSA-N 1 0 390.325 1.841 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000638399471 531651493 /nfs/dbraw/zinc/65/14/93/531651493.db2.gz DGJYYEULAJVINK-BFHYXJOUSA-N 1 0 382.448 1.448 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000638399476 531652983 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COCCOC[C@H](O)CN(C)[C@H](CO)c1cc(OC)ccc1Br ZINC000296185792 531664568 /nfs/dbraw/zinc/66/45/68/531664568.db2.gz LMAFWWHKAZBVNV-MLGOLLRUSA-N 1 0 392.290 1.447 20 0 GDADRO COCCOC[C@H](O)CN(C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000296185797 531665392 /nfs/dbraw/zinc/66/53/92/531665392.db2.gz LMAFWWHKAZBVNV-WBMJQRKESA-N 1 0 392.290 1.447 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000269426727 531667741 /nfs/dbraw/zinc/66/77/41/531667741.db2.gz NUJRDPMNTLXOHU-GFCCVEGCSA-N 1 0 383.905 1.197 20 0 GDADRO CSC1(CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC[NH+](C)CC1 ZINC000589475903 531672534 /nfs/dbraw/zinc/67/25/34/531672534.db2.gz RUXYLLFXHJYUIN-UHFFFAOYSA-N 1 0 385.555 1.494 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638922012 531673582 /nfs/dbraw/zinc/67/35/82/531673582.db2.gz WTTUWGUCEVQDRB-TXEJJXNPSA-N 1 0 377.242 1.122 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(S(N)(=O)=O)c(Br)c3)[C@H]2C1 ZINC000638917113 531673662 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COc1ccc(Br)c(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000269756728 531741524 /nfs/dbraw/zinc/74/15/24/531741524.db2.gz IRGUYNBIUOYTPS-UHFFFAOYSA-N 1 0 393.303 1.193 20 0 GDADRO Cn1cc(Br)c(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000640315828 531741983 /nfs/dbraw/zinc/74/19/83/531741983.db2.gz SYHBKBPKPUMNSZ-LBPRGKRZSA-N 1 0 386.294 1.759 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000416822499 531742229 /nfs/dbraw/zinc/74/22/29/531742229.db2.gz FYDNCTXJFWTNJA-HZMBPMFUSA-N 1 0 383.290 1.993 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NCC[C@H]1CCC[NH2+]C1 ZINC000416944624 531748148 /nfs/dbraw/zinc/74/81/48/531748148.db2.gz GVPGDKSTGYEYEV-CYBMUJFWSA-N 1 0 388.921 1.307 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(CC(=O)Nc2ccc(Br)cc2C)nn1 ZINC000640835848 531766478 /nfs/dbraw/zinc/76/64/78/531766478.db2.gz NNCGETKUYITXQG-LBPRGKRZSA-N 1 0 382.262 1.504 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417204330 531757468 /nfs/dbraw/zinc/75/74/68/531757468.db2.gz FIISQEOGXPAGSP-LBPRGKRZSA-N 1 0 385.306 1.996 20 0 GDADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CCCO1 ZINC000282459708 531757558 /nfs/dbraw/zinc/75/75/58/531757558.db2.gz CXTSGJLQGYEVEZ-LBPRGKRZSA-N 1 0 389.905 1.218 20 0 GDADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417215204 531760273 /nfs/dbraw/zinc/76/02/73/531760273.db2.gz WMTXJQUCAPQHTP-NWDGAFQWSA-N 1 0 383.290 1.571 20 0 GDADRO O=C(CCNC(=O)NC[C@H]1C[NH2+]CCO1)Nc1ccc(Br)cc1 ZINC000417225345 531760608 /nfs/dbraw/zinc/76/06/08/531760608.db2.gz NSCNHDFFZYMEGK-CYBMUJFWSA-N 1 0 385.262 1.065 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCC(F)(F)c2ccc(Br)cc2)CC[NH2+]1 ZINC000621849330 531761146 /nfs/dbraw/zinc/76/11/46/531761146.db2.gz RWIZSFKBPAELNZ-JTQLQIEISA-N 1 0 390.228 1.477 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000562524460 531761285 /nfs/dbraw/zinc/76/12/85/531761285.db2.gz WYDOYWLMVUYAIP-WFASDCNBSA-N 1 0 396.285 1.297 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621848630 531761404 /nfs/dbraw/zinc/76/14/04/531761404.db2.gz CXPNPDXPJDMBFN-SNVBAGLBSA-N 1 0 390.228 1.477 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417291927 531765040 /nfs/dbraw/zinc/76/50/40/531765040.db2.gz BNJBCFLDYBTYFC-OAHLLOKOSA-N 1 0 399.308 1.820 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000562384826 531750819 /nfs/dbraw/zinc/75/08/19/531750819.db2.gz CZKURHLRCKUZOW-ZIAGYGMSSA-N 1 0 389.953 1.253 20 0 GDADRO CO[C@H](CS(=O)(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1)C1CCOCC1 ZINC000592045508 531752047 /nfs/dbraw/zinc/75/20/47/531752047.db2.gz URZSSWBXKNBUFW-BBWFWOEESA-N 1 0 392.587 1.269 20 0 GDADRO [NH3+]C[C@H](O)CCc1cn(Cc2cccc(Br)c2OC(F)F)nn1 ZINC000641123788 531780207 /nfs/dbraw/zinc/78/02/07/531780207.db2.gz XLAWIKWTAQPRFS-LLVKDONJSA-N 1 0 391.216 1.943 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000417583085 531781615 /nfs/dbraw/zinc/78/16/15/531781615.db2.gz JORFWHONWPZIFW-LBPRGKRZSA-N 1 0 385.306 1.692 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000562811015 531781731 /nfs/dbraw/zinc/78/17/31/531781731.db2.gz WFXPQSPNFCPKCX-HZSPNIEDSA-N 1 0 386.543 1.185 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N1CCC[NH2+]CC1 ZINC000417579915 531781929 /nfs/dbraw/zinc/78/19/29/531781929.db2.gz CARKRYKPIGJYSA-UHFFFAOYSA-N 1 0 397.317 1.803 20 0 GDADRO [NH3+]Cc1cnn(Cc2cn(CCOc3cc(F)cc(Br)c3)nn2)c1 ZINC000641177994 531782799 /nfs/dbraw/zinc/78/27/99/531782799.db2.gz STJHIAHUUUQBLC-UHFFFAOYSA-N 1 0 395.236 1.962 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417418283 531768162 /nfs/dbraw/zinc/76/81/62/531768162.db2.gz GWZWHUMVOLZZBU-UHFFFAOYSA-N 1 0 385.306 1.996 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417404190 531768591 /nfs/dbraw/zinc/76/85/91/531768591.db2.gz AUKVBCHEOISDLQ-HNNXBMFYSA-N 1 0 397.317 1.962 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417428108 531769321 /nfs/dbraw/zinc/76/93/21/531769321.db2.gz HHMGKXKNCKHKIT-SMDDNHRTSA-N 1 0 383.290 1.476 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000269817663 531769590 /nfs/dbraw/zinc/76/95/90/531769590.db2.gz OGKATOCYIQXSJK-CHWSQXEVSA-N 1 0 390.527 1.482 20 0 GDADRO C[NH+]1CCN(Cc2cn(Cc3cc4c(cc3Br)OCO4)nn2)CC1 ZINC000640852618 531769923 /nfs/dbraw/zinc/76/99/23/531769923.db2.gz KEERNMBHTOVOIQ-UHFFFAOYSA-N 1 0 394.273 1.565 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417428106 531770031 /nfs/dbraw/zinc/77/00/31/531770031.db2.gz HHMGKXKNCKHKIT-FZMZJTMJSA-N 1 0 383.290 1.476 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417434831 531770052 /nfs/dbraw/zinc/77/00/52/531770052.db2.gz MLNOFTHQCIZQSG-QWHCGFSZSA-N 1 0 397.317 1.961 20 0 GDADRO COC[C@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640900872 531771232 /nfs/dbraw/zinc/77/12/32/531771232.db2.gz DBWIUOMQYUNMAC-WDEREUQCSA-N 1 0 382.262 1.757 20 0 GDADRO O=C(NCCc1ccc(I)s1)NC[C@@H]1C[NH2+]CCO1 ZINC000417440283 531771927 /nfs/dbraw/zinc/77/19/27/531771927.db2.gz NVBCMGQMPRHXAR-VIFPVBQESA-N 1 0 395.266 1.183 20 0 GDADRO CC[NH2+]Cc1cn(CC(=O)N(C)CCOc2ccc(Br)cc2)nn1 ZINC000640881229 531772319 /nfs/dbraw/zinc/77/23/19/531772319.db2.gz CSUWUMAISZBPHT-UHFFFAOYSA-N 1 0 396.289 1.688 20 0 GDADRO COc1cc(Br)c(CNC(=O)N2CCO[C@H](C[NH3+])C2)cc1OC ZINC000417444527 531772969 /nfs/dbraw/zinc/77/29/69/531772969.db2.gz CZQHERYYWFWQLV-LLVKDONJSA-N 1 0 388.262 1.335 20 0 GDADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3nn(C)cc3Br)nn2)n1 ZINC000641038313 531773418 /nfs/dbraw/zinc/77/34/18/531773418.db2.gz OAPOEPSIGBHYHM-UHFFFAOYSA-N 1 0 379.266 1.177 20 0 GDADRO O=C(c1n[nH]c2ccc(I)cc21)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592242926 531773924 /nfs/dbraw/zinc/77/39/24/531773924.db2.gz BGISIAYCQCTZKM-RNCFNFMXSA-N 1 0 396.232 1.992 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000269827335 531774476 /nfs/dbraw/zinc/77/44/76/531774476.db2.gz OPJGUOACDQHMTR-UHFFFAOYSA-N 1 0 390.527 1.702 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cnn2cc(Br)cnc12 ZINC000452366142 531774510 /nfs/dbraw/zinc/77/45/10/531774510.db2.gz OMAWXEIEHQQQDB-LBPRGKRZSA-N 1 0 382.262 1.068 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417475183 531776614 /nfs/dbraw/zinc/77/66/14/531776614.db2.gz BBMRYVLYGVLLDC-JSGCOSHPSA-N 1 0 397.317 1.948 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N1CC[NH2+]CC1 ZINC000417589571 531783232 /nfs/dbraw/zinc/78/32/32/531783232.db2.gz VLWOYKQPPDBVCR-UHFFFAOYSA-N 1 0 383.290 1.412 20 0 GDADRO COc1cc(Cn2cc(CCN3CCC([NH3+])CC3)nn2)c(Br)cn1 ZINC000641103975 531777300 /nfs/dbraw/zinc/77/73/00/531777300.db2.gz PRIJJEOZQPRIDB-UHFFFAOYSA-N 1 0 395.305 1.458 20 0 GDADRO CSc1ccc([C@H](CNc2nc(C)c(S(N)(=O)=O)s2)[NH+](C)C)cc1 ZINC000562759332 531777591 /nfs/dbraw/zinc/77/75/91/531777591.db2.gz FVVPOEJKWNWTKE-ZDUSSCGKSA-N 1 0 386.568 2.536 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000562752152 531777899 /nfs/dbraw/zinc/77/78/99/531777899.db2.gz DVRNTTVMVYSQMS-UHFFFAOYSA-N 1 0 384.274 1.820 20 0 GDADRO COc1ccc(I)c(NC(=O)C(=O)N(C)CCC[NH3+])c1 ZINC000562760240 531778447 /nfs/dbraw/zinc/77/84/47/531778447.db2.gz LDNHEGQYURIJME-UHFFFAOYSA-N 1 0 391.209 1.046 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC[N@@H+](C2CC2)C1 ZINC000562746112 531778655 /nfs/dbraw/zinc/77/86/55/531778655.db2.gz NTTPNFVRIDLUIF-NSHDSACASA-N 1 0 391.946 1.623 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1OC ZINC000508531355 531778759 /nfs/dbraw/zinc/77/87/59/531778759.db2.gz MQYAIHFDZKNDSV-SNVBAGLBSA-N 1 0 389.905 1.469 20 0 GDADRO Cc1nc(-c2ccc(CNC(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)s2)cs1 ZINC000562829448 531783520 /nfs/dbraw/zinc/78/35/20/531783520.db2.gz FWRCDCPANAJSLK-GWCFXTLKSA-N 1 0 378.523 1.910 20 0 GDADRO Fc1cc(Br)cc(OCCn2cc(CCN3CC[NH2+]CC3)nn2)c1 ZINC000641173213 531783819 /nfs/dbraw/zinc/78/38/19/531783819.db2.gz CJJQDHYUPUJZCI-UHFFFAOYSA-N 1 0 398.280 1.706 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NCC1C[NH2+]C1 ZINC000417586435 531783806 /nfs/dbraw/zinc/78/38/06/531783806.db2.gz QYCUIXABIDPTDZ-UHFFFAOYSA-N 1 0 383.290 1.316 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000668506255 531801819 /nfs/dbraw/zinc/80/18/19/531801819.db2.gz IEWCOVMETRJVNV-BIGNPOOSSA-N 1 0 380.279 1.921 20 0 GDADRO Cn1c2cc(Br)ccc2nc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641172410 531784018 /nfs/dbraw/zinc/78/40/18/531784018.db2.gz GAMSAMGTCALVDU-UHFFFAOYSA-N 1 0 390.289 1.381 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1cncc(Br)c1 ZINC000269852169 531784106 /nfs/dbraw/zinc/78/41/06/531784106.db2.gz ZRMPMWQSJQLRMG-CYBMUJFWSA-N 1 0 392.319 1.359 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(C[C@@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641195864 531784911 /nfs/dbraw/zinc/78/49/11/531784911.db2.gz JUFSXAYMOLVTIA-WCQYABFASA-N 1 0 375.256 1.541 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000592435805 531786454 /nfs/dbraw/zinc/78/64/54/531786454.db2.gz ZSNUPCVICOPNDZ-AWEZNQCLSA-N 1 0 399.285 1.947 20 0 GDADRO C[NH2+]CCN(C)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417909061 531789694 /nfs/dbraw/zinc/78/96/94/531789694.db2.gz JMHQJLIWDGBMET-UHFFFAOYSA-N 1 0 385.306 1.647 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1-n1cnnn1 ZINC000623018356 531790133 /nfs/dbraw/zinc/79/01/33/531790133.db2.gz FLNPCTKNSOQZFF-ZDUSSCGKSA-N 1 0 391.273 1.639 20 0 GDADRO Cc1c(I)cccc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000592469198 531790710 /nfs/dbraw/zinc/79/07/10/531790710.db2.gz KAZYVDRQQHHBIY-UHFFFAOYSA-N 1 0 387.265 1.577 20 0 GDADRO COC[C@H](CS(=O)(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)OC ZINC000641262316 531791177 /nfs/dbraw/zinc/79/11/77/531791177.db2.gz DHAYUMPHFQHDAM-QGZVFWFLSA-N 1 0 390.933 1.839 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000282734425 531791158 /nfs/dbraw/zinc/79/11/58/531791158.db2.gz VDODNMPJMKFDLT-UHFFFAOYSA-N 1 0 385.711 1.695 20 0 GDADRO CCOc1cc(C[NH2+][C@H](CC)CNS(C)(=O)=O)cc(Br)c1O ZINC000297438885 531791815 /nfs/dbraw/zinc/79/18/15/531791815.db2.gz NXCABVLXPMFUTB-LLVKDONJSA-N 1 0 395.319 1.971 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)Nc1ccc(Br)cc1C ZINC000592491942 531792712 /nfs/dbraw/zinc/79/27/12/531792712.db2.gz OPDVDQKDZQRQMB-AWEZNQCLSA-N 1 0 384.274 1.533 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623020029 531792977 /nfs/dbraw/zinc/79/29/77/531792977.db2.gz VCPYZRXDXVBYLF-CYBMUJFWSA-N 1 0 393.289 1.981 20 0 GDADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000417925874 531793725 /nfs/dbraw/zinc/79/37/25/531793725.db2.gz KAHPDUBYMVMDJJ-NSHDSACASA-N 1 0 394.950 1.511 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417926206 531793772 /nfs/dbraw/zinc/79/37/72/531793772.db2.gz ZPWJJHNXVITWJS-UHFFFAOYSA-N 1 0 380.495 1.129 20 0 GDADRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623025155 531795091 /nfs/dbraw/zinc/79/50/91/531795091.db2.gz CKOUYKSGFJQZQL-UHFFFAOYSA-N 1 0 393.289 1.983 20 0 GDADRO C[C@@](CO)([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000511599159 531795574 /nfs/dbraw/zinc/79/55/74/531795574.db2.gz YWGOAOKDZINWDP-DOMZBBRYSA-N 1 0 391.331 1.528 20 0 GDADRO CCOc1cc(C[NH2+]CCCn2cc(CO)nn2)cc(Br)c1O ZINC000297494504 531795563 /nfs/dbraw/zinc/79/55/63/531795563.db2.gz UHIJSWKNOQUFHH-UHFFFAOYSA-N 1 0 385.262 1.817 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000562999150 531796328 /nfs/dbraw/zinc/79/63/28/531796328.db2.gz YEJXEDNHJHHTQQ-APHBMKBZSA-N 1 0 378.922 1.696 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000668199264 531796742 /nfs/dbraw/zinc/79/67/42/531796742.db2.gz OLCAAEUJNVSXEY-UHFFFAOYSA-N 1 0 379.262 1.593 20 0 GDADRO O=C1CC[C@H]([NH+]2CCN(Cc3c(F)cncc3Br)CC2)CCN1 ZINC000668225196 531797966 /nfs/dbraw/zinc/79/79/66/531797966.db2.gz HLEFGSSPQPLFMS-LBPRGKRZSA-N 1 0 385.281 1.770 20 0 GDADRO C[NH+](C)C1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000668476756 531799208 /nfs/dbraw/zinc/79/92/08/531799208.db2.gz LIVYBHWSJIDHRH-UHFFFAOYSA-N 1 0 379.262 1.591 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000418042022 531800131 /nfs/dbraw/zinc/80/01/31/531800131.db2.gz XRMGIQYJLZOOIQ-CQSZACIVSA-N 1 0 380.290 1.633 20 0 GDADRO COc1cc(CS(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)sn1 ZINC000641401514 531818161 /nfs/dbraw/zinc/81/81/61/531818161.db2.gz JWHIWMRDECZUKV-UHFFFAOYSA-N 1 0 386.499 1.107 20 0 GDADRO [NH3+][C@@H](CNC(=O)NCCn1cc(Br)ccc1=O)c1ccccc1 ZINC000418257656 531818471 /nfs/dbraw/zinc/81/84/71/531818471.db2.gz OJKIJYJZDQZWBG-AWEZNQCLSA-N 1 0 379.258 1.610 20 0 GDADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000516451059 531818691 /nfs/dbraw/zinc/81/86/91/531818691.db2.gz SXHDAFCIHPAPBD-CQSZACIVSA-N 1 0 391.896 1.652 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418131241 531803204 /nfs/dbraw/zinc/80/32/04/531803204.db2.gz XQCBRSYRMNHBKG-GOEBONIOSA-N 1 0 381.318 1.900 20 0 GDADRO O=C(NCc1cc2c(c(Br)c1)OCO2)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367045461 531803638 /nfs/dbraw/zinc/80/36/38/531803638.db2.gz LSQDBJAHXADIBB-ZDUSSCGKSA-N 1 0 382.258 1.184 20 0 GDADRO COc1cc(CS(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)sn1 ZINC000641319314 531804481 /nfs/dbraw/zinc/80/44/81/531804481.db2.gz RRZROYLWWGJDLQ-UHFFFAOYSA-N 1 0 375.516 1.216 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)NCc1cc(Br)cnc1OC ZINC000623663783 531818870 /nfs/dbraw/zinc/81/88/70/531818870.db2.gz CJISBUOOJQIQFT-UHFFFAOYSA-N 1 0 389.294 1.620 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418156883 531806665 /nfs/dbraw/zinc/80/66/65/531806665.db2.gz NVFCMDPIVGDWDY-LBPRGKRZSA-N 1 0 380.873 1.040 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418155914 531806700 /nfs/dbraw/zinc/80/67/00/531806700.db2.gz ADIWTICWAJEWLT-SNVBAGLBSA-N 1 0 380.873 1.184 20 0 GDADRO [NH3+][C@@H](CNC(=O)NCCOc1ccc(I)cc1)C1CC1 ZINC000418152366 531807421 /nfs/dbraw/zinc/80/74/21/531807421.db2.gz GYPLSUUUQDTBAB-ZDUSSCGKSA-N 1 0 389.237 1.707 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000563101705 531807765 /nfs/dbraw/zinc/80/77/65/531807765.db2.gz MPWNVUAHKQGQHK-UHFFFAOYSA-N 1 0 398.301 1.535 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000514981992 531808369 /nfs/dbraw/zinc/80/83/69/531808369.db2.gz MMLRFNOTMGEVDS-CQSZACIVSA-N 1 0 387.933 1.997 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1Br ZINC000563124091 531808641 /nfs/dbraw/zinc/80/86/41/531808641.db2.gz FIPGQFNLTXCXAW-DTWKUNHWSA-N 1 0 378.292 1.812 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCSC[C@@H]2c2nccs2)C1 ZINC000297646607 531808717 /nfs/dbraw/zinc/80/87/17/531808717.db2.gz DBLQOPYVXVMFJD-UONOGXRCSA-N 1 0 382.555 1.560 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCSC[C@H]2c2nccs2)C1 ZINC000297642491 531808781 /nfs/dbraw/zinc/80/87/81/531808781.db2.gz CWNODXBFUYUZSG-KGLIPLIRSA-N 1 0 382.555 1.702 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000418160677 531809391 /nfs/dbraw/zinc/80/93/91/531809391.db2.gz DMFGWANXIPRRJY-NSHDSACASA-N 1 0 395.312 1.308 20 0 GDADRO CC(C)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H](CC[NH3+])C(F)F)cc1 ZINC000563119324 531809420 /nfs/dbraw/zinc/80/94/20/531809420.db2.gz QOUFEFCBEKFAQJ-AWEZNQCLSA-N 1 0 377.457 1.577 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000563115724 531809435 /nfs/dbraw/zinc/80/94/35/531809435.db2.gz KGAIXEYYPJNRKU-NSHDSACASA-N 1 0 380.901 1.304 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669072224 531809497 /nfs/dbraw/zinc/80/94/97/531809497.db2.gz UQCJEYCFTVBHFJ-SWLSCSKDSA-N 1 0 386.905 1.012 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000514957861 531809720 /nfs/dbraw/zinc/80/97/20/531809720.db2.gz VEVDCQYTTKIIET-YVEFUNNKSA-N 1 0 383.286 1.789 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418166109 531810106 /nfs/dbraw/zinc/81/01/06/531810106.db2.gz ZAIAFCKGCFBRGB-LLVKDONJSA-N 1 0 394.900 1.574 20 0 GDADRO O=C(NCc1ccc(I)c(Cl)c1)NCC1C[NH2+]C1 ZINC000418164580 531810662 /nfs/dbraw/zinc/81/06/62/531810662.db2.gz RXHLWFOYJUGRMH-UHFFFAOYSA-N 1 0 379.629 1.963 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1OC ZINC000563133977 531810699 /nfs/dbraw/zinc/81/06/99/531810699.db2.gz XUPWPBNHZDZTQI-KOLCDFICSA-N 1 0 376.862 1.554 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418167665 531810820 /nfs/dbraw/zinc/81/08/20/531810820.db2.gz KODSJXIGACZELH-LLVKDONJSA-N 1 0 378.445 1.060 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000563126174 531810897 /nfs/dbraw/zinc/81/08/97/531810897.db2.gz QEVQACAQFNVQKJ-VHSXEESVSA-N 1 0 377.894 1.455 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000515476442 531811178 /nfs/dbraw/zinc/81/11/78/531811178.db2.gz OULLBENFEYAHRY-CQSZACIVSA-N 1 0 376.320 1.810 20 0 GDADRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccc(I)cc1)C(N)=O ZINC000297678742 531811947 /nfs/dbraw/zinc/81/19/47/531811947.db2.gz PBATZQYFTCMFHH-CQSZACIVSA-N 1 0 389.237 1.719 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418170356 531812348 /nfs/dbraw/zinc/81/23/48/531812348.db2.gz SBKWIAWLDFLYQW-JTQLQIEISA-N 1 0 397.328 1.426 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000418170933 531812933 /nfs/dbraw/zinc/81/29/33/531812933.db2.gz STEHNFUDNDYULT-JTQLQIEISA-N 1 0 395.312 1.275 20 0 GDADRO COCC[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000563141071 531813008 /nfs/dbraw/zinc/81/30/08/531813008.db2.gz JQPZZGGLXQZZNL-NEPJUHHUSA-N 1 0 382.682 1.829 20 0 GDADRO CCOC(=O)CC[C@@H](O)C[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000515832139 531813005 /nfs/dbraw/zinc/81/30/05/531813005.db2.gz LARJNQVSEHPSQN-CYBMUJFWSA-N 1 0 387.274 1.990 20 0 GDADRO COCC[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000563141078 531813138 /nfs/dbraw/zinc/81/31/38/531813138.db2.gz JQPZZGGLXQZZNL-VXGBXAGGSA-N 1 0 382.682 1.829 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCCNC(=O)NC/C=C\C[NH3+])c1 ZINC000669472397 531814450 /nfs/dbraw/zinc/81/44/50/531814450.db2.gz ZKRXVRXTBURUIO-IHWYPQMZSA-N 1 0 399.289 1.392 20 0 GDADRO O=C(NCC1C[NH2+]C1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000669533901 531814688 /nfs/dbraw/zinc/81/46/88/531814688.db2.gz NVZISJPRGOEIGA-UHFFFAOYSA-N 1 0 381.318 1.932 20 0 GDADRO [NH3+][C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000563152964 531814974 /nfs/dbraw/zinc/81/49/74/531814974.db2.gz YGRBJBIBPLAOES-PHIMTYICSA-N 1 0 392.308 1.564 20 0 GDADRO [NH3+]CCCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000418317047 531821928 /nfs/dbraw/zinc/82/19/28/531821928.db2.gz XWWRKYQKRFFPGP-NSHDSACASA-N 1 0 384.278 1.553 20 0 GDADRO Cc1ccc(C[C@@H](CO)CNC(=O)N[C@H]2CCC[NH2+]C2)cc1Br ZINC000418377117 531822859 /nfs/dbraw/zinc/82/28/59/531822859.db2.gz GWZWXCUKSPMFMN-CABCVRRESA-N 1 0 384.318 1.960 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000418379539 531823170 /nfs/dbraw/zinc/82/31/70/531823170.db2.gz DFEHVQWKQAGFBD-ZIAGYGMSSA-N 1 0 383.290 1.615 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000297790500 531823294 /nfs/dbraw/zinc/82/32/94/531823294.db2.gz KNQPNNUBTZIFHD-XJKSGUPXSA-N 1 0 394.313 1.960 20 0 GDADRO Cc1ccc(C[C@@H](CO)CNC(=O)NC[C@H]2CCC[NH2+]2)cc1Br ZINC000418356540 531823736 /nfs/dbraw/zinc/82/37/36/531823736.db2.gz CKMMSPGKTQQUHS-HUUCEWRRSA-N 1 0 384.318 1.960 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000418395663 531825150 /nfs/dbraw/zinc/82/51/50/531825150.db2.gz HGRPROWFQUZEHK-ZUZCIYMTSA-N 1 0 388.281 1.776 20 0 GDADRO COCCN(C(=O)NCC[NH2+]C1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000418469324 531826158 /nfs/dbraw/zinc/82/61/58/531826158.db2.gz UBGDTZWXUTVTBE-INIZCTEOSA-N 1 0 375.535 1.144 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3nc4ncc(Br)cn4n3)C2)CC1 ZINC000270071603 531827324 /nfs/dbraw/zinc/82/73/24/531827324.db2.gz GXBGXMPFLGDKGJ-GFCCVEGCSA-N 1 0 393.289 1.691 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CCCc4scnc43)CC2)cn1 ZINC000623917746 531827966 /nfs/dbraw/zinc/82/79/66/531827966.db2.gz XUWODZNJCMGSFG-AWEZNQCLSA-N 1 0 381.527 1.697 20 0 GDADRO CN(Cc1nccn1C)C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000297864640 531829168 /nfs/dbraw/zinc/82/91/68/531829168.db2.gz NGRLTGKJDKJMJV-UHFFFAOYSA-N 1 0 379.258 1.800 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000593306703 531829558 /nfs/dbraw/zinc/82/95/58/531829558.db2.gz QVWLFDGDSVKNEA-CQSZACIVSA-N 1 0 380.539 1.724 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000283009030 531819656 /nfs/dbraw/zinc/81/96/56/531819656.db2.gz ONLBUJBLGHRASL-CQSZACIVSA-N 1 0 389.543 1.090 20 0 GDADRO Cc1cc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000418281120 531820564 /nfs/dbraw/zinc/82/05/64/531820564.db2.gz NPMAWIDTWVLTQT-HNNXBMFYSA-N 1 0 381.318 1.947 20 0 GDADRO COC[C@@]1(CNC(=O)N[C@H](CO)c2cccc(Br)c2)CCC[NH2+]1 ZINC000418657460 531833416 /nfs/dbraw/zinc/83/34/16/531833416.db2.gz RGMFDTINBYEWBC-ZBFHGGJFSA-N 1 0 386.290 1.550 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000418716341 531834091 /nfs/dbraw/zinc/83/40/91/531834091.db2.gz YUQLHGJRYPTPLU-ZDUSSCGKSA-N 1 0 388.921 1.483 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)[NH+](C)C ZINC000453956937 531834579 /nfs/dbraw/zinc/83/45/79/531834579.db2.gz PHIFWPCXJBWKKK-JTQLQIEISA-N 1 0 384.267 2.184 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418703512 531834628 /nfs/dbraw/zinc/83/46/28/531834628.db2.gz QVNXQAUJXHYISU-JBLDHEPKSA-N 1 0 376.270 1.774 20 0 GDADRO C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1NS(C)(=O)=O ZINC000418743727 531835177 /nfs/dbraw/zinc/83/51/77/531835177.db2.gz DHAZITDRJWTDBN-GWCFXTLKSA-N 1 0 376.429 1.416 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C1CC[NH+](C)CC1 ZINC000624270729 531835731 /nfs/dbraw/zinc/83/57/31/531835731.db2.gz FEWJIVALSRPUNY-UKRRQHHQSA-N 1 0 385.555 1.748 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000418735954 531836049 /nfs/dbraw/zinc/83/60/49/531836049.db2.gz UAWWAGHYBBGRBK-GWCFXTLKSA-N 1 0 376.270 1.776 20 0 GDADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000624357434 531836914 /nfs/dbraw/zinc/83/69/14/531836914.db2.gz SDTHYZMFMVSQHS-JTQLQIEISA-N 1 0 380.283 1.160 20 0 GDADRO COCCN(Cc1sccc1Br)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418755142 531838013 /nfs/dbraw/zinc/83/80/13/531838013.db2.gz BPJJXSLYFZKAJA-LLVKDONJSA-N 1 0 392.319 1.657 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418759834 531838039 /nfs/dbraw/zinc/83/80/39/531838039.db2.gz JQCNOGNEKHRXRU-HNNXBMFYSA-N 1 0 399.333 1.763 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000418774027 531838926 /nfs/dbraw/zinc/83/89/26/531838926.db2.gz CQDVICCMPGPZNL-YGRLFVJLSA-N 1 0 384.274 1.188 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000418616023 531831166 /nfs/dbraw/zinc/83/11/66/531831166.db2.gz KQYBOTXZVZITNL-BZPMIXESSA-N 1 0 386.290 1.486 20 0 GDADRO Cc1cnc(CCN(C)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000418606614 531831575 /nfs/dbraw/zinc/83/15/75/531831575.db2.gz BWFQNBFKXYXULA-GFCCVEGCSA-N 1 0 379.452 1.472 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000563396569 531832334 /nfs/dbraw/zinc/83/23/34/531832334.db2.gz FSMNOGDENLDNCV-ZDUSSCGKSA-N 1 0 390.299 1.802 20 0 GDADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000641697600 531849747 /nfs/dbraw/zinc/84/97/47/531849747.db2.gz IDUYVRHJSKKJIM-INIZCTEOSA-N 1 0 380.576 1.339 20 0 GDADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367614998 531849930 /nfs/dbraw/zinc/84/99/30/531849930.db2.gz JTVVSOUVCCGOBW-HUUCEWRRSA-N 1 0 387.571 1.995 20 0 GDADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418837780 531850276 /nfs/dbraw/zinc/85/02/76/531850276.db2.gz XAGKRIXNZPRKKG-RAIGVLPGSA-N 1 0 398.276 1.676 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000418839514 531850635 /nfs/dbraw/zinc/85/06/35/531850635.db2.gz ZHJALZIPDHDCHX-DRZSPHRISA-N 1 0 398.276 1.758 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418843725 531851541 /nfs/dbraw/zinc/85/15/41/531851541.db2.gz KMKARUMZBNKLTF-IUODEOHRSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418842352 531851581 /nfs/dbraw/zinc/85/15/81/531851581.db2.gz GNERPOYNVAYZLC-YGRLFVJLSA-N 1 0 386.265 1.361 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000418844265 531852177 /nfs/dbraw/zinc/85/21/77/531852177.db2.gz LSJZFILAESIFHU-ZDUSSCGKSA-N 1 0 396.329 1.954 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418846263 531852543 /nfs/dbraw/zinc/85/25/43/531852543.db2.gz QWORMPNUTFIUHU-FZKQIMNGSA-N 1 0 394.313 1.708 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418846865 531852691 /nfs/dbraw/zinc/85/26/91/531852691.db2.gz SWXTVVGQSKTOSJ-CHWSQXEVSA-N 1 0 382.302 1.612 20 0 GDADRO COc1nc(NC[C@H]2CN(Cc3ccncc3)CCO2)ncc1Br ZINC000624704074 531853153 /nfs/dbraw/zinc/85/31/53/531853153.db2.gz AJHRHVCBQWLPTP-ZDUSSCGKSA-N 1 0 394.273 1.956 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000283339310 531854148 /nfs/dbraw/zinc/85/41/48/531854148.db2.gz RXHMCSDZWZVAGK-UHFFFAOYSA-N 1 0 376.284 1.694 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000563585640 531854344 /nfs/dbraw/zinc/85/43/44/531854344.db2.gz QPDZXBCTHASTQQ-CQSZACIVSA-N 1 0 386.543 1.200 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)o1 ZINC000367675705 531854807 /nfs/dbraw/zinc/85/48/07/531854807.db2.gz ZNIARSLORNVUOI-LBPRGKRZSA-N 1 0 384.479 1.928 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cc(Br)cc3c2OCC3)CCOCC1 ZINC000624387465 531841230 /nfs/dbraw/zinc/84/12/30/531841230.db2.gz QZTJLBANVDIEDF-UHFFFAOYSA-N 1 0 391.287 1.170 20 0 GDADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)NCc1ccc(F)cc1Br ZINC000418806167 531842274 /nfs/dbraw/zinc/84/22/74/531842274.db2.gz CEHOVBDJHZNCIU-UHFFFAOYSA-N 1 0 384.249 1.630 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418813867 531844410 /nfs/dbraw/zinc/84/44/10/531844410.db2.gz UIMGOMQCFSEMPC-UHIISALHSA-N 1 0 384.249 1.429 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418812283 531844769 /nfs/dbraw/zinc/84/47/69/531844769.db2.gz RDUNUOMSEYGAMP-NXEZZACHSA-N 1 0 388.331 1.926 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000624407198 531844875 /nfs/dbraw/zinc/84/48/75/531844875.db2.gz VLJLGKXJDAIPTR-ZIAGYGMSSA-N 1 0 389.543 1.136 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000624405771 531844956 /nfs/dbraw/zinc/84/49/56/531844956.db2.gz QGZQQYKPDUPITP-UONOGXRCSA-N 1 0 389.543 1.136 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418934522 531866198 /nfs/dbraw/zinc/86/61/98/531866198.db2.gz FVLZGIXBVAKCIR-SMDDNHRTSA-N 1 0 384.274 1.058 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642982523 531866303 /nfs/dbraw/zinc/86/63/03/531866303.db2.gz WPCKJNIRJFVQAG-OAHLLOKOSA-N 1 0 382.302 1.708 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418934762 531866691 /nfs/dbraw/zinc/86/66/91/531866691.db2.gz KVPIKSTUVYDJLT-UHFFFAOYSA-N 1 0 382.302 1.713 20 0 GDADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418945654 531868862 /nfs/dbraw/zinc/86/88/62/531868862.db2.gz QESBASNKIMBBQN-INIZCTEOSA-N 1 0 392.297 1.979 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2C)C1 ZINC000418854333 531855969 /nfs/dbraw/zinc/85/59/69/531855969.db2.gz KVVNFIQAXWFONP-ZDUSSCGKSA-N 1 0 382.302 1.832 20 0 GDADRO O=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)C12CCC[NH+]1CCC2 ZINC000367723222 531856628 /nfs/dbraw/zinc/85/66/28/531856628.db2.gz SHMMCYHAINMEPO-AWEZNQCLSA-N 1 0 383.539 1.503 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418862912 531857432 /nfs/dbraw/zinc/85/74/32/531857432.db2.gz HHSYPYHWQHSEIP-DGCLKSJQSA-N 1 0 387.311 1.789 20 0 GDADRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)c1ccc(Br)cn1 ZINC000418865004 531857617 /nfs/dbraw/zinc/85/76/17/531857617.db2.gz KIIDRIUKKTXVNC-NSHDSACASA-N 1 0 383.290 1.799 20 0 GDADRO CCOc1cc(C[NH2+]CCCN(C)S(C)(=O)=O)cc(Br)c1O ZINC000642342354 531857831 /nfs/dbraw/zinc/85/78/31/531857831.db2.gz ZXLVFBSVDCGZJF-UHFFFAOYSA-N 1 0 395.319 1.925 20 0 GDADRO COc1cc(Br)c(C[NH2+]CCCN(C)S(C)(=O)=O)cc1O ZINC000642342204 531858200 /nfs/dbraw/zinc/85/82/00/531858200.db2.gz LHZHHNVAAWFOGR-UHFFFAOYSA-N 1 0 381.292 1.534 20 0 GDADRO O=C(CSCc1cc(=O)n2ccsc2n1)NCCC[NH+]1CCCCC1 ZINC000298155097 531858239 /nfs/dbraw/zinc/85/82/39/531858239.db2.gz DBLUHISCYVJULL-UHFFFAOYSA-N 1 0 380.539 1.981 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000563633627 531859140 /nfs/dbraw/zinc/85/91/40/531859140.db2.gz NETFWKSTICUTPC-QMMMGPOBSA-N 1 0 381.786 1.088 20 0 GDADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)NCc1n[nH]cc1Br ZINC000563633216 531859315 /nfs/dbraw/zinc/85/93/15/531859315.db2.gz MRLZUABQSQRLAH-UHFFFAOYSA-N 1 0 386.294 1.217 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2cc(Br)ccc2F)CC[C@@H]1[NH3+] ZINC000418922514 531862743 /nfs/dbraw/zinc/86/27/43/531862743.db2.gz KYONVTWXSNJTMO-HZMBPMFUSA-N 1 0 386.265 1.443 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)Oc1ccccc1Br ZINC000642777817 531863040 /nfs/dbraw/zinc/86/30/40/531863040.db2.gz DIPLKBBUYFCGAN-CHWSQXEVSA-N 1 0 398.301 1.591 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC000642740704 531863051 /nfs/dbraw/zinc/86/30/51/531863051.db2.gz CVKBNNHUDRPVFL-GXTWGEPZSA-N 1 0 396.285 1.284 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000563810367 531863330 /nfs/dbraw/zinc/86/33/30/531863330.db2.gz GIQGIUNGTPJBIL-AAEUAGOBSA-N 1 0 378.332 1.931 20 0 GDADRO OCCO[C@@]1(C[NH2+]Cc2cccc(I)c2)CCOC1 ZINC000594973077 531863648 /nfs/dbraw/zinc/86/36/48/531863648.db2.gz CKFAPPPMEATYLW-CQSZACIVSA-N 1 0 377.222 1.549 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418924303 531863833 /nfs/dbraw/zinc/86/38/33/531863833.db2.gz OZKCWPMOCJBSCZ-LLVKDONJSA-N 1 0 386.265 1.363 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418928859 531865206 /nfs/dbraw/zinc/86/52/06/531865206.db2.gz ZWIIQUQPWLDYDM-GHMZBOCLSA-N 1 0 386.265 1.443 20 0 GDADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000642929566 531865592 /nfs/dbraw/zinc/86/55/92/531865592.db2.gz BVEZFCYZQUMSBC-OAHLLOKOSA-N 1 0 380.286 1.592 20 0 GDADRO O=C(C[NH2+][C@@H]1CCc2ccc(I)cc21)N1CCOCC1 ZINC000595026017 531865628 /nfs/dbraw/zinc/86/56/28/531865628.db2.gz MHLAHGRXEONIMW-CQSZACIVSA-N 1 0 386.233 1.727 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2([NH3+])CCC2)cc1F ZINC000564959717 531871322 /nfs/dbraw/zinc/87/13/22/531871322.db2.gz HXDUGGQXXGUXGI-UHFFFAOYSA-N 1 0 379.479 1.137 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)Cc1c(F)cccc1F ZINC000564967047 531871374 /nfs/dbraw/zinc/87/13/74/531871374.db2.gz JCKQYRNDNYZBME-GFCCVEGCSA-N 1 0 375.441 1.114 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(I)cn1 ZINC000595243820 531871866 /nfs/dbraw/zinc/87/18/66/531871866.db2.gz VXBJQLYQQPBVME-SNVBAGLBSA-N 1 0 390.225 1.114 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000418954412 531871951 /nfs/dbraw/zinc/87/19/51/531871951.db2.gz TUBJYKCKYYMGGG-UHFFFAOYSA-N 1 0 384.274 1.141 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000595244365 531871932 /nfs/dbraw/zinc/87/19/32/531871932.db2.gz JVZKXNCUGCZHQR-ZCFIWIBFSA-N 1 0 397.163 1.232 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCOc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000418958420 531871985 /nfs/dbraw/zinc/87/19/85/531871985.db2.gz YOGNPGIAPPJTMG-BXUZGUMPSA-N 1 0 384.274 1.140 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cccc(I)c1 ZINC000564970840 531872321 /nfs/dbraw/zinc/87/23/21/531872321.db2.gz HWGXTLLLQSDMKV-DTWKUNHWSA-N 1 0 375.210 1.472 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000367883373 531872864 /nfs/dbraw/zinc/87/28/64/531872864.db2.gz DAHHUJYFVZJNHX-KRWDZBQOSA-N 1 0 385.917 1.806 20 0 GDADRO COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])COC(C)C)c1ccc(Br)cc1 ZINC000595255054 531872869 /nfs/dbraw/zinc/87/28/69/531872869.db2.gz SMNKXBUOFRRAIP-KBPBESRZSA-N 1 0 387.274 1.922 20 0 GDADRO OC[C@@H](Cc1ccncc1)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000564975831 531873369 /nfs/dbraw/zinc/87/33/69/531873369.db2.gz QPMCHIOPVXYRKN-CVEARBPZSA-N 1 0 381.270 1.777 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000564974614 531873500 /nfs/dbraw/zinc/87/35/00/531873500.db2.gz GVPLLIODGDBWPF-BXUZGUMPSA-N 1 0 378.288 1.210 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418974744 531873739 /nfs/dbraw/zinc/87/37/39/531873739.db2.gz PXRAATIHCPFOGR-JTQLQIEISA-N 1 0 396.289 1.575 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418970282 531873998 /nfs/dbraw/zinc/87/39/98/531873998.db2.gz KMIMSOMSMAUGOP-JTQLQIEISA-N 1 0 394.273 1.281 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12)C1CC1 ZINC000418966986 531874024 /nfs/dbraw/zinc/87/40/24/531874024.db2.gz OOQSLDDEWWSARA-CYBMUJFWSA-N 1 0 383.279 1.987 20 0 GDADRO Cc1cc(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)ccc1Br ZINC000418989796 531875610 /nfs/dbraw/zinc/87/56/10/531875610.db2.gz KJYKHUIBDZMADS-UHFFFAOYSA-N 1 0 382.302 1.880 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000418990922 531875945 /nfs/dbraw/zinc/87/59/45/531875945.db2.gz MCPKFAFTDFLODF-GXTWGEPZSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418982458 531876314 /nfs/dbraw/zinc/87/63/14/531876314.db2.gz AVZGQHUTRHHWSQ-OFQRWUPVSA-N 1 0 394.313 1.612 20 0 GDADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000566051675 531876351 /nfs/dbraw/zinc/87/63/51/531876351.db2.gz POIGGLPGAJRZEU-HNNXBMFYSA-N 1 0 376.567 1.514 20 0 GDADRO C[C@]1(CNC(=O)C(=O)NCCc2cccc(Br)c2)CCC[NH2+]C1 ZINC000418985034 531876342 /nfs/dbraw/zinc/87/63/42/531876342.db2.gz DXMHVYNWXCDZLR-KRWDZBQOSA-N 1 0 382.302 1.614 20 0 GDADRO O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)[C@H]1C[NH2+]CCC1(F)F ZINC000644047946 531876931 /nfs/dbraw/zinc/87/69/31/531876931.db2.gz FSASGFRZUWINQA-LLVKDONJSA-N 1 0 377.388 1.450 20 0 GDADRO C[NH+](C)CCn1nccc1NC(=O)NCCn1cc(Br)ccc1=O ZINC000455645631 531877163 /nfs/dbraw/zinc/87/71/63/531877163.db2.gz IQOIOEZMZKPBMS-UHFFFAOYSA-N 1 0 397.277 1.191 20 0 GDADRO NC(=O)[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000644054246 531877757 /nfs/dbraw/zinc/87/77/57/531877757.db2.gz RJUGOESHRYBFPF-QWRGUYRKSA-N 1 0 376.201 1.337 20 0 GDADRO O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000283589131 531877760 /nfs/dbraw/zinc/87/77/60/531877760.db2.gz TVXXWDDHEISIEH-CQSZACIVSA-N 1 0 382.555 1.752 20 0 GDADRO C[C@H](NC[C@H]1C[NH2+]CCCO1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000566092541 531877873 /nfs/dbraw/zinc/87/78/73/531877873.db2.gz NRKHWHSHKBXAQV-VHSXEESVSA-N 1 0 382.313 1.670 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1csnn1 ZINC000566086451 531877905 /nfs/dbraw/zinc/87/79/05/531877905.db2.gz CIBGPLHGCZAJIL-YGRLFVJLSA-N 1 0 381.889 1.788 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1csnn1 ZINC000566086449 531877944 /nfs/dbraw/zinc/87/79/44/531877944.db2.gz CIBGPLHGCZAJIL-IINYFYTJSA-N 1 0 381.889 1.788 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)C[C@H]1c1cccc(F)c1 ZINC000566093930 531878760 /nfs/dbraw/zinc/87/87/60/531878760.db2.gz LFPSLLAOKRFACA-UONOGXRCSA-N 1 0 383.470 1.119 20 0 GDADRO C[C@H](NCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1Cl ZINC000298350515 531879367 /nfs/dbraw/zinc/87/93/67/531879367.db2.gz MMZMAECUQOQGHT-GXSJLCMTSA-N 1 0 391.852 1.143 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1Br ZINC000419013025 531879737 /nfs/dbraw/zinc/87/97/37/531879737.db2.gz YKQQXMPUGNQFAR-WCQYABFASA-N 1 0 398.301 1.893 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000419011728 531880419 /nfs/dbraw/zinc/88/04/19/531880419.db2.gz TVJFUXQHRYLKAB-JKOKRWQUSA-N 1 0 398.301 1.879 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000566103855 531881208 /nfs/dbraw/zinc/88/12/08/531881208.db2.gz OAGYEOWPKKQCCH-CABZTGNLSA-N 1 0 390.303 1.261 20 0 GDADRO CC1CC[NH+](CCNC(=O)C(=O)NCc2sccc2Br)CC1 ZINC000283650592 531881305 /nfs/dbraw/zinc/88/13/05/531881305.db2.gz BEBGLPQQLADGAI-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO Cc1sc2ncnc(SCCC(=O)NC[C@H]3C[NH2+]CCN3C)c2c1C ZINC000566250931 531881794 /nfs/dbraw/zinc/88/17/94/531881794.db2.gz JBLPSIROTXBCFX-CYBMUJFWSA-N 1 0 379.555 1.810 20 0 GDADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@@H]1CSCCS1 ZINC000283640919 531882197 /nfs/dbraw/zinc/88/21/97/531882197.db2.gz YNZORQZREIUVHR-ZIAGYGMSSA-N 1 0 399.607 1.966 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000673748799 531883415 /nfs/dbraw/zinc/88/34/15/531883415.db2.gz GNKONXHHSPVDGT-HZPDHXFCSA-N 1 0 387.933 1.873 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419023704 531883599 /nfs/dbraw/zinc/88/35/99/531883599.db2.gz PBAMMLGEDZLLET-ZDUSSCGKSA-N 1 0 398.301 1.832 20 0 GDADRO COC(=O)CC[N@@H+]1CCN(Cc2cc(Br)cnc2OC)[C@@H](C)C1 ZINC000595422249 531883766 /nfs/dbraw/zinc/88/37/66/531883766.db2.gz KNMVLMZHUTWFBI-LBPRGKRZSA-N 1 0 386.290 1.922 20 0 GDADRO CN(C(=O)C(=O)NCc1ccc(Br)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000419035058 531883896 /nfs/dbraw/zinc/88/38/96/531883896.db2.gz FAIDUABIPIQRSE-GFCCVEGCSA-N 1 0 386.265 1.805 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419048485 531891563 /nfs/dbraw/zinc/89/15/63/531891563.db2.gz AEJBFKRNPWOWQN-OCCSQVGLSA-N 1 0 384.318 1.986 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419049160 531891618 /nfs/dbraw/zinc/89/16/18/531891618.db2.gz BDOOSMAAOLYKFX-UHFFFAOYSA-N 1 0 392.681 1.071 20 0 GDADRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(I)cn1 ZINC000456029523 531891943 /nfs/dbraw/zinc/89/19/43/531891943.db2.gz KAHAJSSLBOBQRH-UHFFFAOYSA-N 1 0 385.209 1.697 20 0 GDADRO CC[C@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[C@@H]1[NH3+] ZINC000647006760 531892413 /nfs/dbraw/zinc/89/24/13/531892413.db2.gz VEDUSBPOQAUYAE-FZMZJTMJSA-N 1 0 393.285 1.745 20 0 GDADRO CC[C@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[C@H]1[NH3+] ZINC000647006762 531892731 /nfs/dbraw/zinc/89/27/31/531892731.db2.gz VEDUSBPOQAUYAE-SMDDNHRTSA-N 1 0 393.285 1.745 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419052439 531892871 /nfs/dbraw/zinc/89/28/71/531892871.db2.gz HYPMWRKDFCUKJW-LBPRGKRZSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1cc(Br)cs1)C1=CC[N@H+](C)CC1 ZINC000283773117 531893754 /nfs/dbraw/zinc/89/37/54/531893754.db2.gz DFIOIVMMKGHMCX-JTQLQIEISA-N 1 0 386.315 1.893 20 0 GDADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000595932316 531894009 /nfs/dbraw/zinc/89/40/09/531894009.db2.gz NLTFPHPEMNTLIN-VHSXEESVSA-N 1 0 380.251 1.375 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419057686 531894749 /nfs/dbraw/zinc/89/47/49/531894749.db2.gz VBLFPOJCMVMYOI-JSGCOSHPSA-N 1 0 382.302 1.612 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419057719 531894795 /nfs/dbraw/zinc/89/47/95/531894795.db2.gz VDTXCKADUAQOEY-LLVKDONJSA-N 1 0 376.682 1.818 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)NC1CC[NH+](C2CCC2)CC1 ZINC000567399145 531895308 /nfs/dbraw/zinc/89/53/08/531895308.db2.gz IGLYIGXMRHAXNC-UHFFFAOYSA-N 1 0 397.317 1.927 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1sc2c(c1I)CNC2 ZINC000595960007 531896585 /nfs/dbraw/zinc/89/65/85/531896585.db2.gz RMXGCECISMEATF-SFYZADRCSA-N 1 0 391.278 1.908 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3[nH]cnc3C2)cnc1Br ZINC000368153262 531896964 /nfs/dbraw/zinc/89/69/64/531896964.db2.gz SMVKPYHYMWWJIY-SECBINFHSA-N 1 0 378.230 1.488 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595961084 531897938 /nfs/dbraw/zinc/89/79/38/531897938.db2.gz IZENURWHJIALKL-CYBMUJFWSA-N 1 0 391.534 1.421 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)CCO1 ZINC000647877114 531899263 /nfs/dbraw/zinc/89/92/63/531899263.db2.gz IUPGNDJMOAZZPJ-BONVTDFDSA-N 1 0 385.258 1.337 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000419036034 531884917 /nfs/dbraw/zinc/88/49/17/531884917.db2.gz GEISKZAIIOFMLF-NSHDSACASA-N 1 0 380.901 1.833 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000419035154 531884996 /nfs/dbraw/zinc/88/49/96/531884996.db2.gz FKZQLPOZYJLHDD-LLVKDONJSA-N 1 0 380.901 1.976 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000283672040 531885400 /nfs/dbraw/zinc/88/54/00/531885400.db2.gz SIAYANFPHCQODU-LSDHHAIUSA-N 1 0 386.290 1.502 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419037631 531886257 /nfs/dbraw/zinc/88/62/57/531886257.db2.gz IVAUDHWSIRWQSH-BXUZGUMPSA-N 1 0 396.285 1.729 20 0 GDADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccnc1OCC(F)F ZINC000625215042 531886347 /nfs/dbraw/zinc/88/63/47/531886347.db2.gz YNNIXDCTUVHKHG-OLZOCXBDSA-N 1 0 375.441 1.973 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)COc2ccc(F)cc2Br)C1 ZINC000646022667 531887124 /nfs/dbraw/zinc/88/71/24/531887124.db2.gz ADBUQMYOJUAHLY-MRXNPFEDSA-N 1 0 389.265 1.882 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419041986 531887482 /nfs/dbraw/zinc/88/74/82/531887482.db2.gz OMRVVRNWYHRIHA-MFKMUULPSA-N 1 0 384.274 1.503 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000419040878 531887542 /nfs/dbraw/zinc/88/75/42/531887542.db2.gz JIPUHVSYIKSTJC-UTLUCORTSA-N 1 0 378.420 1.925 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419043520 531888541 /nfs/dbraw/zinc/88/85/41/531888541.db2.gz RJHZDLZFPHNTQP-BXUZGUMPSA-N 1 0 396.285 1.599 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000419044226 531888565 /nfs/dbraw/zinc/88/85/65/531888565.db2.gz SVGUCXXIXKWAIM-SECBINFHSA-N 1 0 380.659 1.701 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419043523 531888706 /nfs/dbraw/zinc/88/87/06/531888706.db2.gz RJHZDLZFPHNTQP-SMDDNHRTSA-N 1 0 396.285 1.599 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CCN2C1=O ZINC000566496832 531889173 /nfs/dbraw/zinc/88/91/73/531889173.db2.gz UZFVXFUVPFQRNR-AAEUAGOBSA-N 1 0 392.308 1.011 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419044430 531890184 /nfs/dbraw/zinc/89/01/84/531890184.db2.gz PVYCSCUFYYTHPH-GUBZILKMSA-N 1 0 378.420 1.938 20 0 GDADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000596051445 531905304 /nfs/dbraw/zinc/90/53/04/531905304.db2.gz ORVUIFGFDRIRDL-NSHDSACASA-N 1 0 388.795 1.945 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1cc(F)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000419160947 531905713 /nfs/dbraw/zinc/90/57/13/531905713.db2.gz QVFUDGQCBFHCQI-QWRGUYRKSA-N 1 0 386.265 1.709 20 0 GDADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)NCc1cc(F)ccc1Br ZINC000419158730 531906448 /nfs/dbraw/zinc/90/64/48/531906448.db2.gz NDKUZVJKFATXCJ-UHFFFAOYSA-N 1 0 384.249 1.630 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3cc(F)ccc3Br)C[C@H]21 ZINC000419163269 531906848 /nfs/dbraw/zinc/90/68/48/531906848.db2.gz VZYMUZPEMHAGAQ-PSOPSSQASA-N 1 0 398.276 1.790 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1Br ZINC000419162624 531907228 /nfs/dbraw/zinc/90/72/28/531907228.db2.gz HNWRUDSKEYDKPR-FZMZJTMJSA-N 1 0 382.302 1.960 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1Br ZINC000647983608 531907583 /nfs/dbraw/zinc/90/75/83/531907583.db2.gz FNLHNOMFPSXXRV-JTQLQIEISA-N 1 0 388.310 1.800 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCc2cccc(C)c2Br)CC1 ZINC000419167210 531908963 /nfs/dbraw/zinc/90/89/63/531908963.db2.gz QFBXRNUKJFIQGI-UHFFFAOYSA-N 1 0 382.302 1.832 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419185544 531909663 /nfs/dbraw/zinc/90/96/63/531909663.db2.gz DRAFUKJEKGUJGR-LBPRGKRZSA-N 1 0 382.302 1.841 20 0 GDADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000456377496 531910111 /nfs/dbraw/zinc/91/01/11/531910111.db2.gz LOAMWLHOGVRVPE-ZDUSSCGKSA-N 1 0 393.289 1.981 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419184559 531910305 /nfs/dbraw/zinc/91/03/05/531910305.db2.gz GDEKAXVYWXGSRD-GASCZTMLSA-N 1 0 380.286 1.461 20 0 GDADRO CC(C)(CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1Br ZINC000419192895 531911983 /nfs/dbraw/zinc/91/19/83/531911983.db2.gz TZWKMCLUXUFFKM-CQSZACIVSA-N 1 0 382.302 1.696 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000419198255 531912199 /nfs/dbraw/zinc/91/21/99/531912199.db2.gz YWBKXNQIYPGMDW-DOMZBBRYSA-N 1 0 382.302 1.836 20 0 GDADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675817041 531912376 /nfs/dbraw/zinc/91/23/76/531912376.db2.gz LSHPVURSHVNNQV-AWEZNQCLSA-N 1 0 389.949 1.967 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000625619273 531912901 /nfs/dbraw/zinc/91/29/01/531912901.db2.gz CFYJVVGROIMNCM-NSHDSACASA-N 1 0 375.878 1.680 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419201513 531913399 /nfs/dbraw/zinc/91/33/99/531913399.db2.gz FSHMCHYKYZJPPW-UHFFFAOYSA-N 1 0 384.274 1.271 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419211023 531914335 /nfs/dbraw/zinc/91/43/35/531914335.db2.gz WOFHFPXMXKLIGL-GHMZBOCLSA-N 1 0 384.274 1.283 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)s2)cs1 ZINC000419084501 531899770 /nfs/dbraw/zinc/89/97/70/531899770.db2.gz UAHQWCYZPRCBKQ-NSHDSACASA-N 1 0 378.523 1.659 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000419113268 531900443 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CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000674710100 531903556 /nfs/dbraw/zinc/90/35/56/531903556.db2.gz AAZHMYPPNMXNFH-OCCSQVGLSA-N 1 0 391.559 1.580 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)[C@H](C[NH3+])C1 ZINC000419147024 531904544 /nfs/dbraw/zinc/90/45/44/531904544.db2.gz IYKZAHFJAONNNK-GJZGRUSLSA-N 1 0 388.295 1.617 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000419149808 531904974 /nfs/dbraw/zinc/90/49/74/531904974.db2.gz KJTUOBOSZCBTRS-NSHDSACASA-N 1 0 394.273 1.057 20 0 GDADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1nn(C)cc1I ZINC000456503714 531918060 /nfs/dbraw/zinc/91/80/60/531918060.db2.gz JFAMMXJXQZCQCX-SECBINFHSA-N 1 0 378.258 1.808 20 0 GDADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cn1 ZINC000283991927 531918426 /nfs/dbraw/zinc/91/84/26/531918426.db2.gz NDJOACYEQHFQRC-NSHDSACASA-N 1 0 395.301 1.764 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000419257251 531918448 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Cc1cc(Br)ccc1CN(C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000571062227 531946913 /nfs/dbraw/zinc/94/69/13/531946913.db2.gz QMXCDLHWXYGREH-UHFFFAOYSA-N 1 0 383.290 1.331 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1C[NH3+] ZINC000652380451 531946980 /nfs/dbraw/zinc/94/69/80/531946980.db2.gz USLDPOGKROHRCY-IAQYHMDHSA-N 1 0 379.885 1.451 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000299004796 531947842 /nfs/dbraw/zinc/94/78/42/531947842.db2.gz KEKPKKUEBXMDLT-CVEARBPZSA-N 1 0 385.917 1.947 20 0 GDADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627271548 531947946 /nfs/dbraw/zinc/94/79/46/531947946.db2.gz XHBNBSRADQTHQD-QLFBSQMISA-N 1 0 395.297 1.983 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000419669355 531951149 /nfs/dbraw/zinc/95/11/49/531951149.db2.gz BSAAHDLJMWMVKD-KRWDZBQOSA-N 1 0 393.285 1.744 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000627399023 531951372 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C[N@@H+]1CC[C@](O)(CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000457744630 531960593 /nfs/dbraw/zinc/96/05/93/531960593.db2.gz KIEGGSRICVBOGR-INIZCTEOSA-N 1 0 384.267 1.430 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2cc(Br)cs2)CC1 ZINC000419724934 531961876 /nfs/dbraw/zinc/96/18/76/531961876.db2.gz QUBGHIQQTQYKAZ-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000419679590 531953614 /nfs/dbraw/zinc/95/36/14/531953614.db2.gz QURWVNVTPTURBN-ZYHUDNBSSA-N 1 0 396.285 1.196 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000627474193 531953718 /nfs/dbraw/zinc/95/37/18/531953718.db2.gz HYPRWVRSTZKLCS-CYBMUJFWSA-N 1 0 379.507 1.443 20 0 GDADRO Cc1nc(Cl)ccc1CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000271005504 531953806 /nfs/dbraw/zinc/95/38/06/531953806.db2.gz WKZBADDLVGEPJM-OAHLLOKOSA-N 1 0 387.933 1.553 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC000627476440 531954244 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ZINC000419785526 531969293 /nfs/dbraw/zinc/96/92/93/531969293.db2.gz WPJDCLPMSPLMNL-IINYFYTJSA-N 1 0 386.265 1.976 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1Cl ZINC000655537473 531969483 /nfs/dbraw/zinc/96/94/83/531969483.db2.gz IILKVZMIXMTLQE-MRXNPFEDSA-N 1 0 385.917 1.576 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000419786035 531971142 /nfs/dbraw/zinc/97/11/42/531971142.db2.gz XXDLHVMSFMODGT-ZIAGYGMSSA-N 1 0 384.249 1.715 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000419786470 531971600 /nfs/dbraw/zinc/97/16/00/531971600.db2.gz YQYQHRNFHBIAJQ-UHFFFAOYSA-N 1 0 387.311 1.491 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccc(Br)cn1 ZINC000627906623 531971623 /nfs/dbraw/zinc/97/16/23/531971623.db2.gz CKPQTKDYCOARGH-CYBMUJFWSA-N 1 0 381.274 1.916 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000419808149 531972089 /nfs/dbraw/zinc/97/20/89/531972089.db2.gz GRWJINAMQWBVTJ-AWEZNQCLSA-N 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COC(=O)c1ccc(F)cc1S(=O)(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000574083997 531993747 /nfs/dbraw/zinc/99/37/47/531993747.db2.gz LRVIDNJLIATSJO-UHFFFAOYSA-N 1 0 390.502 1.718 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419995743 531994589 /nfs/dbraw/zinc/99/45/89/531994589.db2.gz IHJDSHYCVATNGG-NSHDSACASA-N 1 0 388.331 1.975 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000419857612 531979596 /nfs/dbraw/zinc/97/95/96/531979596.db2.gz GSGPQBMRRLHWEY-AWEZNQCLSA-N 1 0 384.274 1.270 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000419883524 531980682 /nfs/dbraw/zinc/98/06/82/531980682.db2.gz DNQRSPJQPZAABS-GXTWGEPZSA-N 1 0 381.274 1.376 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)CC2 ZINC000419882101 531980740 /nfs/dbraw/zinc/98/07/40/531980740.db2.gz BZQGEJKTKYJZJW-AWEZNQCLSA-N 1 0 380.286 1.510 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000419878494 531981129 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C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000419953480 531989594 /nfs/dbraw/zinc/98/95/94/531989594.db2.gz PNHKOVCWOOHZBB-RISCZKNCSA-N 1 0 383.290 1.479 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000573794667 531990570 /nfs/dbraw/zinc/99/05/70/531990570.db2.gz YTZWLDZAOZWKEP-CYBMUJFWSA-N 1 0 379.507 1.214 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000419963804 531990972 /nfs/dbraw/zinc/99/09/72/531990972.db2.gz WLAKDMWJBUAGCU-GXFFZTMASA-N 1 0 384.274 1.442 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000420017571 531996171 /nfs/dbraw/zinc/99/61/71/531996171.db2.gz WBEAOVNMMAOYIQ-OLZOCXBDSA-N 1 0 397.317 1.118 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000420013492 531996194 /nfs/dbraw/zinc/99/61/94/531996194.db2.gz JVCDGYONEBCFTK-CQSZACIVSA-N 1 0 386.265 1.572 20 0 GDADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420011479 531996477 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COCCc1ncc(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)s1 ZINC000631125655 531999437 /nfs/dbraw/zinc/99/94/37/531999437.db2.gz HSSYHKXUAZAZOR-UHFFFAOYSA-N 1 0 387.502 1.881 20 0 GDADRO CSc1nc2ncnc(N3CCC(O)(C[NH+]4CCOCC4)CC3)c2s1 ZINC000370675084 532000345 /nfs/dbraw/zinc/00/03/45/532000345.db2.gz BGVOXNIPUVWYIB-UHFFFAOYSA-N 1 0 381.527 1.472 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420107549 532002212 /nfs/dbraw/zinc/00/22/12/532002212.db2.gz BBDZEXIYBURART-WFASDCNBSA-N 1 0 382.302 1.912 20 0 GDADRO C[C@]1(CNC(=O)C(=O)N2CCc3cccc(Br)c3C2)CCC[NH2+]C1 ZINC000420106353 532002535 /nfs/dbraw/zinc/00/25/35/532002535.db2.gz RTKNKPMLSNLSAV-SFHVURJKSA-N 1 0 394.313 1.840 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000420112729 532002591 /nfs/dbraw/zinc/00/25/91/532002591.db2.gz DOFCXWPXCCGYRQ-LBPRGKRZSA-N 1 0 380.286 1.789 20 0 GDADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[C@@H](C[NH3+])OC ZINC000574915240 532002656 /nfs/dbraw/zinc/00/26/56/532002656.db2.gz 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COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1C(F)(F)F ZINC000599106144 532006727 /nfs/dbraw/zinc/00/67/27/532006727.db2.gz SJHRPVIXEMDEFQ-ZJUUUORDSA-N 1 0 380.388 1.911 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c1F ZINC000599098175 532005204 /nfs/dbraw/zinc/00/52/04/532005204.db2.gz PYKVDZGKKPZCFU-ZDUSSCGKSA-N 1 0 376.425 1.937 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)N1CCSCC1 ZINC000657354446 532005297 /nfs/dbraw/zinc/00/52/97/532005297.db2.gz UOPTVCBUTBGIRZ-QGZVFWFLSA-N 1 0 386.539 1.323 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000420163107 532007247 /nfs/dbraw/zinc/00/72/47/532007247.db2.gz ZIJZRRWNXMOTLQ-GFCCVEGCSA-N 1 0 382.302 1.756 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000420167780 532007955 /nfs/dbraw/zinc/00/79/55/532007955.db2.gz JNRBNGWBQAQJKB-IUODEOHRSA-N 1 0 398.301 1.463 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000420181011 532008156 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381.445 1.588 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420444742 532013138 /nfs/dbraw/zinc/01/31/38/532013138.db2.gz DAYXAFQOVASCPS-SKDRFNHKSA-N 1 0 378.372 1.474 20 0 GDADRO C[C@H]1NC(=O)N(CC[NH2+]C(C)(C)COc2ncccc2Br)C1=O ZINC000459375495 532012848 /nfs/dbraw/zinc/01/28/48/532012848.db2.gz QARVHDNPPHUZPI-SNVBAGLBSA-N 1 0 385.262 1.531 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284972288 532013040 /nfs/dbraw/zinc/01/30/40/532013040.db2.gz AWZGDNJYWDFRDC-HUUCEWRRSA-N 1 0 396.285 1.628 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1F ZINC000420445321 532013049 /nfs/dbraw/zinc/01/30/49/532013049.db2.gz FDJJIUVMOFGWGW-ZDUSSCGKSA-N 1 0 381.495 1.239 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1 ZINC000420451490 532015533 /nfs/dbraw/zinc/01/55/33/532015533.db2.gz QSXCQFNYLNOICP-CMPLNLGQSA-N 1 0 379.404 1.384 20 0 GDADRO CCC1(CC)[C@H](NS(=O)(=O)CCCN2CC[NH+](C)CC2)[C@H](C)[C@H]1OC 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AKWVRXMITTUAQP-GXSJLCMTSA-N 1 0 390.303 1.153 20 0 GDADRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000420469545 532020684 /nfs/dbraw/zinc/02/06/84/532020684.db2.gz VSGSVPIATAXOTM-INIZCTEOSA-N 1 0 381.523 1.925 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000576489805 532023383 /nfs/dbraw/zinc/02/33/83/532023383.db2.gz QLOPBSKVUGQNJK-IUODEOHRSA-N 1 0 396.285 1.249 20 0 GDADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000632297359 532023705 /nfs/dbraw/zinc/02/37/05/532023705.db2.gz ACVWJADBMRNVSH-ZDUSSCGKSA-N 1 0 375.441 1.977 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000632300502 532023926 /nfs/dbraw/zinc/02/39/26/532023926.db2.gz UOVRMNOYZLWJFS-CZUORRHYSA-N 1 0 389.924 1.892 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000271555861 532025509 /nfs/dbraw/zinc/02/55/09/532025509.db2.gz LDLOQISYQVZLEG-CHWSQXEVSA-N 1 0 381.274 1.834 20 0 GDADRO C[C@@H](NC(=O)CN[C@@H](CO)c1ccnn1C)c1ccc(Br)cc1 ZINC000459761220 532026913 /nfs/dbraw/zinc/02/69/13/532026913.db2.gz XKYJNWDULUOUTK-RISCZKNCSA-N 1 0 381.274 1.683 20 0 GDADRO O=C(CN(CCO)CCOCCO)Nc1c(Cl)cc(Cl)cc1Cl ZINC000459773812 532027667 /nfs/dbraw/zinc/02/76/67/532027667.db2.gz CJWXCJWGAZLIBF-UHFFFAOYSA-N 1 0 385.675 1.889 20 0 GDADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000576936959 532030803 /nfs/dbraw/zinc/03/08/03/532030803.db2.gz QFHGCBKCLPIRGP-ZYHUDNBSSA-N 1 0 390.709 1.890 20 0 GDADRO CCC[C@H](C)[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271610305 532031265 /nfs/dbraw/zinc/03/12/65/532031265.db2.gz AQBUWEHZVOGFHD-ZDUSSCGKSA-N 1 0 378.516 1.569 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000271643224 532034539 /nfs/dbraw/zinc/03/45/39/532034539.db2.gz LJWRCHPYSGQOFQ-NOZJJQNGSA-N 1 0 381.274 1.690 20 0 GDADRO C[C@@H]1C[N@@H+](CCC2CCN(c3ncc(S(N)(=O)=O)s3)CC2)C[C@H](C)O1 ZINC000301566438 532036534 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20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccccc1I ZINC000601300723 532059304 /nfs/dbraw/zinc/05/93/04/532059304.db2.gz ZIOPCXFILRZRNB-SNVBAGLBSA-N 1 0 382.267 1.881 20 0 GDADRO COc1nc(N2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)ncc1Br ZINC000579478668 532061118 /nfs/dbraw/zinc/06/11/18/532061118.db2.gz FPGJIZRKIXLOSM-GXTWGEPZSA-N 1 0 385.306 1.921 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1Br ZINC000373056501 532061542 /nfs/dbraw/zinc/06/15/42/532061542.db2.gz LULDEIGXCXZERB-GWCFXTLKSA-N 1 0 375.288 1.830 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)c(Br)c1 ZINC000317632649 532062944 /nfs/dbraw/zinc/06/29/44/532062944.db2.gz CSDJBOXPYGWJCV-UHFFFAOYSA-N 1 0 393.303 1.653 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000467718512 532062177 /nfs/dbraw/zinc/06/21/77/532062177.db2.gz QFTDOVPCIRPIPC-MLGOLLRUSA-N 1 0 385.917 1.607 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000373057843 532062148 /nfs/dbraw/zinc/06/21/48/532062148.db2.gz POQQTGZMMVTNRS-ZWNOBZJWSA-N 1 0 375.288 1.830 20 0 GDADRO Cc1c(Br)cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(=O)n1C ZINC000373085504 532063574 /nfs/dbraw/zinc/06/35/74/532063574.db2.gz BJDNLTQQXWDOQK-GJZGRUSLSA-N 1 0 398.301 1.127 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCc1nccs1)c1ccc(Cl)cc1 ZINC000579742132 532067508 /nfs/dbraw/zinc/06/75/08/532067508.db2.gz PUKUCOQCACDKCP-AWEZNQCLSA-N 1 0 380.901 1.874 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000271971379 532068940 /nfs/dbraw/zinc/06/89/40/532068940.db2.gz NBPKIPLEUDTNDC-QGZVFWFLSA-N 1 0 385.555 1.717 20 0 GDADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cscc3Cl)C2)CC1 ZINC000602038824 532069588 /nfs/dbraw/zinc/06/95/88/532069588.db2.gz UUEIEQPMMRIDRQ-CYBMUJFWSA-N 1 0 384.933 1.967 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000285328325 532068083 /nfs/dbraw/zinc/06/80/83/532068083.db2.gz RZKDFSPHMAKFFX-SECBINFHSA-N 1 0 382.408 1.573 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423093707 532070588 /nfs/dbraw/zinc/07/05/88/532070588.db2.gz ACRGZIVSOBPVHH-SWLSCSKDSA-N 1 0 382.302 1.993 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000423088104 532071200 /nfs/dbraw/zinc/07/12/00/532071200.db2.gz PMLMNVYGAYUJJN-CQSZACIVSA-N 1 0 382.302 1.866 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423090157 532071271 /nfs/dbraw/zinc/07/12/71/532071271.db2.gz UQBHQTOLKQNOCK-ZDUSSCGKSA-N 1 0 398.301 1.849 20 0 GDADRO CC(C)[N@H+](CCOCCO)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000324336623 532073037 /nfs/dbraw/zinc/07/30/37/532073037.db2.gz XEPFURHXCNPUTI-UHFFFAOYSA-N 1 0 384.274 1.676 20 0 GDADRO O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1)c1ccc(F)cc1Cl ZINC000423108182 532072182 /nfs/dbraw/zinc/07/21/82/532072182.db2.gz FOSRKLFQNUXOOO-GDBMZVCRSA-N 1 0 391.896 1.114 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)CC[C@H]1[NH3+] ZINC000423228973 532074217 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GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000272178059 532083385 /nfs/dbraw/zinc/08/33/85/532083385.db2.gz CYGJKTNFBSZMSY-VHSXEESVSA-N 1 0 384.221 1.748 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000470590717 532085073 /nfs/dbraw/zinc/08/50/73/532085073.db2.gz KTHYZFCISZPTQB-QGZVFWFLSA-N 1 0 383.901 1.699 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000470589515 532085140 /nfs/dbraw/zinc/08/51/40/532085140.db2.gz AMDOVWRRKJFSLU-UHFFFAOYSA-N 1 0 381.274 1.883 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000272231007 532086724 /nfs/dbraw/zinc/08/67/24/532086724.db2.gz JRPUMGLKBUBTMS-ONGXEEELSA-N 1 0 375.288 1.662 20 0 GDADRO CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)C[C@@H]3C(C)(C)C3(F)F)C2)CC1 ZINC000603290156 532088486 /nfs/dbraw/zinc/08/84/86/532088486.db2.gz BHGYQYMZFWBOGH-HUUCEWRRSA-N 1 0 379.517 1.708 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272270047 532089263 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383.543 1.777 20 0 GDADRO Cn1cc(I)c(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000424484056 532096834 /nfs/dbraw/zinc/09/68/34/532096834.db2.gz ZNEDVIOHQDLFKV-NXEZZACHSA-N 1 0 377.230 1.094 20 0 GDADRO CN1CCO[C@@H]2CN(C(=O)c3cc(Br)cnc3OCC3CC3)C[C@H]21 ZINC000329188452 532098284 /nfs/dbraw/zinc/09/82/84/532098284.db2.gz QLJKTBTZZDANFW-HUUCEWRRSA-N 1 0 396.285 1.788 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000329279219 532101805 /nfs/dbraw/zinc/10/18/05/532101805.db2.gz LNNGIIURHNBYPZ-ZDUSSCGKSA-N 1 0 385.917 1.704 20 0 GDADRO Cc1oc(Br)cc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000424681589 532104681 /nfs/dbraw/zinc/10/46/81/532104681.db2.gz GIRIQDKZRIQRPR-UHFFFAOYSA-N 1 0 398.261 1.477 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CSCc3cc(=O)n4ccsc4n3)[C@H]2C1 ZINC000272588768 532106000 /nfs/dbraw/zinc/10/60/00/532106000.db2.gz HNORQRXXBDCDGG-OCCSQVGLSA-N 1 0 378.523 1.542 20 0 GDADRO CC[C@H](C(=O)NC[C@@H](Oc1ccc(Br)cc1)C(=O)OC)[NH+](C)C ZINC000285705582 532106790 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Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000374401728 532121467 /nfs/dbraw/zinc/12/14/67/532121467.db2.gz RMTPYFCDEUFKGI-JSGCOSHPSA-N 1 0 383.539 1.793 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000272763798 532113188 /nfs/dbraw/zinc/11/31/88/532113188.db2.gz WDWJZBKPWSGYRM-VIFPVBQESA-N 1 0 386.246 1.241 20 0 GDADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc4c(c(Br)c3)OCO4)[C@H]2C1 ZINC000285792388 532113347 /nfs/dbraw/zinc/11/33/47/532113347.db2.gz NPUNXSDEDHKIRD-STQMWFEESA-N 1 0 383.242 1.723 20 0 GDADRO O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000374184637 532113555 /nfs/dbraw/zinc/11/35/55/532113555.db2.gz VBWYCDSJJGRGBO-LBPRGKRZSA-N 1 0 379.404 1.399 20 0 GDADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)C1 ZINC000330128364 532115388 /nfs/dbraw/zinc/11/53/88/532115388.db2.gz NNNHGROATGEMJU-ARFHVFGLSA-N 1 0 389.587 1.086 20 0 GDADRO Cc1nc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)sc1S(N)(=O)=O ZINC000374531692 532126123 /nfs/dbraw/zinc/12/61/23/532126123.db2.gz SAVOACPFDZKNHQ-RYUDHWBXSA-N 1 0 388.559 1.425 20 0 GDADRO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000272989989 532127247 /nfs/dbraw/zinc/12/72/47/532127247.db2.gz FIPDVCFMFFNUBM-DOMZBBRYSA-N 1 0 380.286 1.779 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1Cl ZINC000374597312 532129398 /nfs/dbraw/zinc/12/93/98/532129398.db2.gz UPFSDZHDFSHQKK-KCQAQPDRSA-N 1 0 385.917 1.790 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)NC[C@@H]3CC[NH2+]C3)CC2=O)ccc1Br ZINC000273062856 532132035 /nfs/dbraw/zinc/13/20/35/532132035.db2.gz TURRQNCWOIYHND-CHWSQXEVSA-N 1 0 380.286 1.836 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(OC)c(Br)c1 ZINC000286126410 532132704 /nfs/dbraw/zinc/13/27/04/532132704.db2.gz YNGPEFFGUNKCJS-CYBMUJFWSA-N 1 0 398.301 1.674 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(Cn4cc(Br)cn4)on3)[C@H]2C1 ZINC000374877555 532140325 /nfs/dbraw/zinc/14/03/25/532140325.db2.gz FGZZSWVYNKRELZ-ABAIWWIYSA-N 1 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532167726 /nfs/dbraw/zinc/16/77/26/532167726.db2.gz RKVGXRNFXMYSHC-HONMWMINSA-N 1 0 396.285 1.585 20 0 GDADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000375276809 532157631 /nfs/dbraw/zinc/15/76/31/532157631.db2.gz HUFDCLYMDLAYBR-LBPRGKRZSA-N 1 0 381.274 1.869 20 0 GDADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cccc(I)c2)CC1 ZINC000274002823 532180177 /nfs/dbraw/zinc/18/01/77/532180177.db2.gz TWRWLOFUSMIZJC-UHFFFAOYSA-N 1 0 392.262 1.831 20 0 GDADRO NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000332217670 532172022 /nfs/dbraw/zinc/17/20/22/532172022.db2.gz WZKXAFXMQNGHNS-INIZCTEOSA-N 1 0 383.539 1.129 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000375618485 532172541 /nfs/dbraw/zinc/17/25/41/532172541.db2.gz TVAQDKACHUOFDN-FOSCPWQOSA-N 1 0 388.511 1.789 20 0 GDADRO C[C@@](CO)([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(Br)cc1 ZINC000375618673 532173155 /nfs/dbraw/zinc/17/31/55/532173155.db2.gz ULGGZHGBCUTTHS-WMZOPIPTSA-N 1 0 397.313 1.884 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C[C@H]1[NH+](C)C ZINC000273851389 532173421 /nfs/dbraw/zinc/17/34/21/532173421.db2.gz NGIVQVBUROIIFN-HZPDHXFCSA-N 1 0 385.555 1.783 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000332247340 532175196 /nfs/dbraw/zinc/17/51/96/532175196.db2.gz XHELVYLJWLBSOS-CQSZACIVSA-N 1 0 389.543 1.008 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)CC2 ZINC000332512460 532191811 /nfs/dbraw/zinc/19/18/11/532191811.db2.gz VHYMTBBMDVIAKE-BLLLJJGKSA-N 1 0 394.313 1.756 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000332522302 532192307 /nfs/dbraw/zinc/19/23/07/532192307.db2.gz ZRAPIPFGLYCKDB-DOMZBBRYSA-N 1 0 394.313 1.899 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3cccc(Br)c3C2)CC[NH2+]1 ZINC000332520596 532192817 /nfs/dbraw/zinc/19/28/17/532192817.db2.gz YZLHUKOIEPMIMH-YPMHNXCESA-N 1 0 380.286 1.591 20 0 GDADRO C[NH+]1CCC(NC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000376253418 532201002 /nfs/dbraw/zinc/20/10/02/532201002.db2.gz HSRSQKJBGBBWTP-ZDUSSCGKSA-N 1 0 386.543 1.152 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427938611 532194534 /nfs/dbraw/zinc/19/45/34/532194534.db2.gz DJRNREBTIOVPII-SMDDNHRTSA-N 1 0 392.930 1.257 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332562789 532194988 /nfs/dbraw/zinc/19/49/88/532194988.db2.gz RMMRFVAVGPTRNV-WDEREUQCSA-N 1 0 399.232 1.298 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC[C@@H]1[NH3+] ZINC000332562348 532195351 /nfs/dbraw/zinc/19/53/51/532195351.db2.gz VSRPXJAKCUUWLS-FZMZJTMJSA-N 1 0 398.305 1.882 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000332561972 532195450 /nfs/dbraw/zinc/19/54/50/532195450.db2.gz RXRWJDBKRRZTJF-NSHDSACASA-N 1 0 393.962 1.869 20 0 GDADRO CS(=O)(=O)N1CCC(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000376150695 532196839 /nfs/dbraw/zinc/19/68/39/532196839.db2.gz OTBYVLVFCQTJIR-HNNXBMFYSA-N 1 0 390.502 1.305 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)CC1 ZINC000332581584 532196908 /nfs/dbraw/zinc/19/69/08/532196908.db2.gz FYXYPTBXTBADJT-GFCCVEGCSA-N 1 0 394.313 1.933 20 0 GDADRO O=C(Nc1ccc(I)cc1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332578761 532197048 /nfs/dbraw/zinc/19/70/48/532197048.db2.gz ZOKWXJZNYGQKMG-MFKMUULPSA-N 1 0 399.232 1.440 20 0 GDADRO COCC[N@H+](C)CCCNc1c(F)cc(S(N)(=O)=O)cc1Br ZINC000428106728 532198397 /nfs/dbraw/zinc/19/83/97/532198397.db2.gz HCCUOOPRIGZIPD-UHFFFAOYSA-N 1 0 398.298 1.616 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000332590646 532198542 /nfs/dbraw/zinc/19/85/42/532198542.db2.gz KJYPNAPMMVWJHJ-GFCCVEGCSA-N 1 0 384.249 1.423 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)C[C@@H](C)[NH2+]1 ZINC000332593759 532198640 /nfs/dbraw/zinc/19/86/40/532198640.db2.gz KGBOTPQECPVPIT-VXGBXAGGSA-N 1 0 380.286 1.543 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)CC2 ZINC000332592863 532198659 /nfs/dbraw/zinc/19/86/59/532198659.db2.gz KACLFSFIIUPOOY-LRDDRELGSA-N 1 0 394.313 1.838 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000332462845 532188240 /nfs/dbraw/zinc/18/82/40/532188240.db2.gz JRGGNHHOSPQXDL-CYBMUJFWSA-N 1 0 394.313 1.975 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CC[C@H]1[NH3+] ZINC000332703796 532206624 /nfs/dbraw/zinc/20/66/24/532206624.db2.gz XLILQYCBCQHYBA-XNRPHZJLSA-N 1 0 394.313 1.961 20 0 GDADRO CCCN(CC[NH+]1CCCCC1)C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000287292358 532206942 /nfs/dbraw/zinc/20/69/42/532206942.db2.gz WAKBBCKWFWXERT-UHFFFAOYSA-N 1 0 388.559 1.803 20 0 GDADRO [NH3+]CCCNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000428476408 532209010 /nfs/dbraw/zinc/20/90/10/532209010.db2.gz DWVWOMSEKWAMPX-AWEZNQCLSA-N 1 0 383.290 1.588 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000287364078 532211400 /nfs/dbraw/zinc/21/14/00/532211400.db2.gz WVOKLSJPSYFUIX-LRDDRELGSA-N 1 0 385.917 1.947 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ncnc2c1c(Br)nn2C ZINC000274468419 532213164 /nfs/dbraw/zinc/21/31/64/532213164.db2.gz LUKNAAHQTWAVJG-NSHDSACASA-N 1 0 382.310 1.564 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000274503047 532214339 /nfs/dbraw/zinc/21/43/39/532214339.db2.gz FNLYFDXHUHUFFA-OAHLLOKOSA-N 1 0 385.917 1.286 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000333031006 532215729 /nfs/dbraw/zinc/21/57/29/532215729.db2.gz BTNADVHHNHWOKZ-KRWDZBQOSA-N 1 0 386.539 1.338 20 0 GDADRO CO[C@@H](C)c1nc(CN2CCCN(C[C@H]3CCS(=O)(=O)C3)CC2)cs1 ZINC000333033970 532215947 /nfs/dbraw/zinc/21/59/47/532215947.db2.gz NATSODPUGSXWLU-LSDHHAIUSA-N 1 0 387.571 1.793 20 0 GDADRO C[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428801989 532217023 /nfs/dbraw/zinc/21/70/23/532217023.db2.gz INASRVQDRINLAX-KBPBESRZSA-N 1 0 380.432 1.575 20 0 GDADRO O=C1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)CN1CCN1CCOCC1 ZINC000428862238 532218300 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GDADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000287648268 532230963 /nfs/dbraw/zinc/23/09/63/532230963.db2.gz NZUXJLVEIJGGBC-JTQLQIEISA-N 1 0 392.257 1.399 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc2nccnc2c1Br ZINC000287696112 532234614 /nfs/dbraw/zinc/23/46/14/532234614.db2.gz MPKPLSGSGKGIFP-LLVKDONJSA-N 1 0 393.289 1.760 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc(I)ccc1F ZINC000274596337 532219803 /nfs/dbraw/zinc/21/98/03/532219803.db2.gz WCANYVPQVWJYCP-UHFFFAOYSA-N 1 0 380.201 1.474 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000274632256 532221361 /nfs/dbraw/zinc/22/13/61/532221361.db2.gz ROUAFXLWIMXFET-MRVPVSSYSA-N 1 0 375.654 1.504 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)C[C@@H]1[NH+]1CCCC1 ZINC000333171284 532223236 /nfs/dbraw/zinc/22/32/36/532223236.db2.gz NUGDTOHSMFEAED-QLFBSQMISA-N 1 0 384.571 1.981 20 0 GDADRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000429146513 532223661 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CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CCC[C@@H]([NH3+])C2)c1 ZINC000430641876 532254211 /nfs/dbraw/zinc/25/42/11/532254211.db2.gz NDBZYOFSMBLPNA-GFCCVEGCSA-N 1 0 388.921 1.342 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000275049424 532257932 /nfs/dbraw/zinc/25/79/32/532257932.db2.gz UKJNZRRJJAOZGF-ZDUSSCGKSA-N 1 0 399.289 1.231 20 0 GDADRO C[C@H]1CN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[C@H]1[NH3+] ZINC000430972032 532258588 /nfs/dbraw/zinc/25/85/88/532258588.db2.gz RASPKKUXFPPCHJ-SWLSCSKDSA-N 1 0 386.327 1.706 20 0 GDADRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000431032273 532260018 /nfs/dbraw/zinc/26/00/18/532260018.db2.gz IRQVYRXLJFHKLT-UHFFFAOYSA-N 1 0 389.543 1.267 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000431062070 532260094 /nfs/dbraw/zinc/26/00/94/532260094.db2.gz NMUNETYEKVNMJC-XJKSGUPXSA-N 1 0 382.302 1.770 20 0 GDADRO C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ncc(Br)cn1 ZINC000431851415 532275010 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CN(CCC[NH3+])Cc1cn(CC(=O)Nc2ccc(Br)cc2)nn1 ZINC000392763219 532300310 /nfs/dbraw/zinc/30/03/10/532300310.db2.gz DHXNJPKZBSYVES-UHFFFAOYSA-N 1 0 381.278 1.460 20 0 GDADRO CC[N@@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[C@H](C)C1 ZINC000288632269 532300327 /nfs/dbraw/zinc/30/03/27/532300327.db2.gz YOACFHRVXUIDKR-CQSZACIVSA-N 1 0 385.555 1.628 20 0 GDADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000393690817 532300762 /nfs/dbraw/zinc/30/07/62/532300762.db2.gz OJLDMBRLPQDIRN-GFCCVEGCSA-N 1 0 378.288 1.356 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)c2ccncc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000395917097 532301265 /nfs/dbraw/zinc/30/12/65/532301265.db2.gz BJJZZYIRZKTSCZ-WFASDCNBSA-N 1 0 395.301 1.565 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(Br)cc1Br ZINC000394087046 532301517 /nfs/dbraw/zinc/30/15/17/532301517.db2.gz VZCOINFKEYUUIV-JTQLQIEISA-N 1 0 391.107 1.845 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc(Br)sc1Br ZINC000394071163 532301694 /nfs/dbraw/zinc/30/16/94/532301694.db2.gz INTMFXWNCCWXGS-SSDOTTSWSA-N 1 0 397.136 1.907 20 0 GDADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2nc3cc(Br)cnc3[nH]2)C1(C)C ZINC000275610464 532302715 /nfs/dbraw/zinc/30/27/15/532302715.db2.gz HEUIECXTSSZAKV-ZBEGNZNMSA-N 1 0 396.289 1.869 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1sccc1Br ZINC000288729015 532305393 /nfs/dbraw/zinc/30/53/93/532305393.db2.gz ZSHKYAONHSHMBZ-UHFFFAOYSA-N 1 0 384.365 1.672 20 0 GDADRO CCS(=O)(=O)N(C)CCCN[C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000275698936 532306430 /nfs/dbraw/zinc/30/64/30/532306430.db2.gz KCWBUYJQXGTUTD-HNNXBMFYSA-N 1 0 376.906 1.685 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(Br)c2)C[C@H]1C[NH3+] ZINC000405538412 532306845 /nfs/dbraw/zinc/30/68/45/532306845.db2.gz QGMATSLYPPUQAE-QMTHXVAHSA-N 1 0 393.303 1.442 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C)C[C@H]1C[NH3+] ZINC000405277141 532307110 /nfs/dbraw/zinc/30/71/10/532307110.db2.gz YMSIBLDZQGFVMI-DGCLKSJQSA-N 1 0 377.304 1.742 20 0 GDADRO O[C@H](CN1CCC(O)(C[NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000378532392 532290320 /nfs/dbraw/zinc/29/03/20/532290320.db2.gz LCYKYDHQFGYWSA-QGZVFWFLSA-N 1 0 399.329 1.642 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000289037912 532314306 /nfs/dbraw/zinc/31/43/06/532314306.db2.gz AJNBXQJOVMCWEU-UHFFFAOYSA-N 1 0 399.567 1.528 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NCc1nnc(SC)s1 ZINC000289075005 532314818 /nfs/dbraw/zinc/31/48/18/532314818.db2.gz CTKYEBHAVFAGNU-UHFFFAOYSA-N 1 0 387.575 1.703 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(O)c(Br)c2)[C@H](C)C1 ZINC000289095398 532315775 /nfs/dbraw/zinc/31/57/75/532315775.db2.gz FKVTUJFKMBKOGN-VXGBXAGGSA-N 1 0 386.290 1.751 20 0 GDADRO O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000289202959 532318087 /nfs/dbraw/zinc/31/80/87/532318087.db2.gz JVARFBXNHQPKGN-MRXNPFEDSA-N 1 0 378.314 1.987 20 0 GDADRO O=C(COc1ccc(F)cc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289231308 532318762 /nfs/dbraw/zinc/31/87/62/532318762.db2.gz MAQMRSDOGNVGSG-ZDUSSCGKSA-N 1 0 386.265 1.473 20 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/nfs/dbraw/zinc/32/76/30/532327630.db2.gz XOBYKQDEFHGWCR-UHFFFAOYSA-N 1 0 384.274 1.839 20 0 GDADRO COc1cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc(OC)c1OCC(F)F ZINC000289802507 532332407 /nfs/dbraw/zinc/33/24/07/532332407.db2.gz RMNDZMWYEWJZKC-LLVKDONJSA-N 1 0 379.425 1.872 20 0 GDADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289846427 532333028 /nfs/dbraw/zinc/33/30/28/532333028.db2.gz BZEAGWKMISFTEI-IOASZLSFSA-N 1 0 392.297 1.870 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000289851707 532333055 /nfs/dbraw/zinc/33/30/55/532333055.db2.gz KTBBCHGXGVBQOP-LBPRGKRZSA-N 1 0 375.256 1.318 20 0 GDADRO OCc1cn(CCC[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)nn1 ZINC000289957471 532334798 /nfs/dbraw/zinc/33/47/98/532334798.db2.gz VENKRSZXGIAQAT-UHFFFAOYSA-N 1 0 382.255 1.838 20 0 GDADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 ZINC000359991389 206276628 /nfs/dbraw/zinc/27/66/28/206276628.db2.gz DNGFXBZIUINFTM-DIECFANBSA-N 1 0 379.501 1.166 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000738347230 598873789 /nfs/dbraw/zinc/87/37/89/598873789.db2.gz DFWDKOZGFVNBPZ-AWEZNQCLSA-N 1 0 394.476 1.645 20 0 GDADRO C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736099992 598894598 /nfs/dbraw/zinc/89/45/98/598894598.db2.gz LDVSMIWLHKARSU-BTYIYWSLSA-N 1 0 392.463 1.681 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[C@@H](C[NH+](C)C)C1 ZINC000735570246 598915945 /nfs/dbraw/zinc/91/59/45/598915945.db2.gz LVTALOHKYWAUSB-NEPJUHHUSA-N 1 0 389.529 1.627 20 0 GDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736771162 598922710 /nfs/dbraw/zinc/92/27/10/598922710.db2.gz IMQUFEZIOJQKNT-UHFFFAOYSA-N 1 0 395.423 1.045 20 0 GDADRO CC[NH+]1CCC(N(C)CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736566134 598980285 /nfs/dbraw/zinc/98/02/85/598980285.db2.gz WYCPMMQOTLXWJK-UHFFFAOYSA-N 1 0 377.880 1.875 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000737031372 598986018 /nfs/dbraw/zinc/98/60/18/598986018.db2.gz HBHALCXYAIECBO-BXUZGUMPSA-N 1 0 387.362 1.642 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000737031888 598986239 /nfs/dbraw/zinc/98/62/39/598986239.db2.gz IBYXHZFUZZJQPK-UHFFFAOYSA-N 1 0 386.456 1.341 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000820908724 599086987 /nfs/dbraw/zinc/08/69/87/599086987.db2.gz PRFJRIYYXMPGJL-HNNXBMFYSA-N 1 0 381.484 1.925 20 0 GDADRO NC(=O)[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737215 599089747 /nfs/dbraw/zinc/08/97/47/599089747.db2.gz PHSBUFUMJBZZHV-SFHVURJKSA-N 1 0 388.435 1.411 20 0 GDADRO Cc1nc(SCC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737482257 599107231 /nfs/dbraw/zinc/10/72/31/599107231.db2.gz GKNYMUQBHNWOIR-IINYFYTJSA-N 1 0 389.529 1.878 20 0 GDADRO Cn1cc([C@@H]2CC[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)cn1 ZINC000737606958 599170084 /nfs/dbraw/zinc/17/00/84/599170084.db2.gz USLYPVZJYDGCPP-MRXNPFEDSA-N 1 0 375.440 1.911 20 0 GDADRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC000736759454 599178351 /nfs/dbraw/zinc/17/83/51/599178351.db2.gz RJKUPNUGYVKXAZ-OAHLLOKOSA-N 1 0 380.518 1.653 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000736758005 599201970 /nfs/dbraw/zinc/20/19/70/599201970.db2.gz BGAZYAMDPJWUJE-KRWDZBQOSA-N 1 0 388.472 1.205 20 0 GDADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736291124 599225561 /nfs/dbraw/zinc/22/55/61/599225561.db2.gz DBWDQNOGAMXAMJ-ATZDWAIDSA-N 1 0 395.511 1.921 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822865093 607313768 /nfs/dbraw/zinc/31/37/68/607313768.db2.gz VCVYCEYHAJUNBV-GOSISDBHSA-N 1 0 377.452 1.929 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](CNc1ccc(CC[NH+]3CCCC3)cc1)C2 ZINC000823756778 607314512 /nfs/dbraw/zinc/31/45/12/607314512.db2.gz HOSPHQBTBLRXAQ-MRXNPFEDSA-N 1 0 393.499 1.855 20 0 GDADRO CC[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736569389 599287012 /nfs/dbraw/zinc/28/70/12/599287012.db2.gz HKCGRNVKGAHPNX-NSHDSACASA-N 1 0 377.880 1.921 20 0 GDADRO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@@H+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735460907 599290461 /nfs/dbraw/zinc/29/04/61/599290461.db2.gz OSVSOWFAEOGBDO-PXAZEXFGSA-N 1 0 396.455 1.742 20 0 GDADRO Cc1nnc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(-c2nn[nH]n2)c1C ZINC000737534114 598244274 /nfs/dbraw/zinc/24/42/74/598244274.db2.gz SXTHJJGUXKPYFV-UHFFFAOYSA-N 1 0 394.483 1.842 20 0 GDADRO COc1ccnc(N2CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737160152 598250724 /nfs/dbraw/zinc/25/07/24/598250724.db2.gz USZJXUQUJJYPQI-UHFFFAOYSA-N 1 0 395.467 1.861 20 0 GDADRO NC(=O)COc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737754380 598251940 /nfs/dbraw/zinc/25/19/40/598251940.db2.gz SVGJOWSYGIJDED-UHFFFAOYSA-N 1 0 393.451 1.053 20 0 GDADRO O=S(=O)(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738330196 598264185 /nfs/dbraw/zinc/26/41/85/598264185.db2.gz QTHRJZPICCWPRI-QGZVFWFLSA-N 1 0 399.480 1.377 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738051201 598271963 /nfs/dbraw/zinc/27/19/63/598271963.db2.gz KWDVOWPJLLTXQN-MSOLQXFVSA-N 1 0 397.483 1.404 20 0 GDADRO O=C1NCCC[C@H]1[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738314655 598275348 /nfs/dbraw/zinc/27/53/48/598275348.db2.gz CIOHZCZSDQCGTB-GOSISDBHSA-N 1 0 378.436 1.814 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738048789 598294820 /nfs/dbraw/zinc/29/48/20/598294820.db2.gz GXWDULNJLHNEAZ-OAHLLOKOSA-N 1 0 396.499 1.183 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735856974 598304800 /nfs/dbraw/zinc/30/48/00/598304800.db2.gz NDWHSLIVHKCGHC-UHFFFAOYSA-N 1 0 386.504 1.429 20 0 GDADRO C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736769906 598307551 /nfs/dbraw/zinc/30/75/51/598307551.db2.gz WPUCTUDAUNFDQR-UHFFFAOYSA-N 1 0 384.415 1.876 20 0 GDADRO CC[C@H]1CN([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000736409814 598344909 /nfs/dbraw/zinc/34/49/09/598344909.db2.gz NJQPKSPCHJORDJ-CABCVRRESA-N 1 0 387.488 1.236 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1-c1nn[nH]n1 ZINC000737188866 598346474 /nfs/dbraw/zinc/34/64/74/598346474.db2.gz HVNJBNFJUXJAIY-GFCCVEGCSA-N 1 0 385.497 1.781 20 0 GDADRO CCN1CCN(C2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)C1=O ZINC000736569467 598349203 /nfs/dbraw/zinc/34/92/03/598349203.db2.gz HYFXBQOHFAGXEZ-UHFFFAOYSA-N 1 0 385.472 1.467 20 0 GDADRO C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C1CCN(CCn2cccn2)CC1 ZINC000736820546 598349687 /nfs/dbraw/zinc/34/96/87/598349687.db2.gz XTIBNTKEMRKHPK-UHFFFAOYSA-N 1 0 384.463 1.799 20 0 GDADRO Cn1cc(CN2CCC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)cn1 ZINC000737601844 598358046 /nfs/dbraw/zinc/35/80/46/598358046.db2.gz LNZSTSILJJIBKD-UHFFFAOYSA-N 1 0 391.483 1.561 20 0 GDADRO C[C@@H](O)C[N@H+](C)C1CCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736141672 598365876 /nfs/dbraw/zinc/36/58/76/598365876.db2.gz AOIQFERRPCXZBG-GFCCVEGCSA-N 1 0 393.517 1.034 20 0 GDADRO C[N@H+](CC(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1)CC(C)(C)C ZINC000736782874 598395907 /nfs/dbraw/zinc/39/59/07/598395907.db2.gz QBKOXJBAWJGBPS-UHFFFAOYSA-N 1 0 389.479 1.632 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736768714 598431161 /nfs/dbraw/zinc/43/11/61/598431161.db2.gz IJGRPFIWWJCUFA-UHFFFAOYSA-N 1 0 384.419 1.997 20 0 GDADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000735856152 598433884 /nfs/dbraw/zinc/43/38/84/598433884.db2.gz FRKGBGWAPUZBGW-UHFFFAOYSA-N 1 0 383.460 1.095 20 0 GDADRO COC1CC[NH+](C2(CNC(=O)c3ccc(-c4nn[nH]n4)cn3)CCCC2)CC1 ZINC000736959944 598455495 /nfs/dbraw/zinc/45/54/95/598455495.db2.gz BZBVKWICBUOLFO-UHFFFAOYSA-N 1 0 385.472 1.415 20 0 GDADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000737428465 598461067 /nfs/dbraw/zinc/46/10/67/598461067.db2.gz POBNVEUXDGANFK-UHFFFAOYSA-N 1 0 377.452 1.965 20 0 GDADRO COC1CC[NH+](C(C)(C)CNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736960951 598466394 /nfs/dbraw/zinc/46/63/94/598466394.db2.gz IXYFFYWENKPNIS-UHFFFAOYSA-N 1 0 386.500 1.805 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000737033044 598502897 /nfs/dbraw/zinc/50/28/97/598502897.db2.gz MWFYLXKXTAAJQQ-CYBMUJFWSA-N 1 0 388.472 1.633 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000737032502 598510628 /nfs/dbraw/zinc/51/06/28/598510628.db2.gz HPIXOGNQPGDIIG-OAHLLOKOSA-N 1 0 388.472 1.587 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736855370 598516505 /nfs/dbraw/zinc/51/65/05/598516505.db2.gz GHWDTIGSNJVDHH-HNNXBMFYSA-N 1 0 399.499 1.761 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccccn1)C2 ZINC000738425835 598517675 /nfs/dbraw/zinc/51/76/75/598517675.db2.gz OISSAAOBVYIVDN-KDOFPFPSSA-N 1 0 387.451 1.879 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C1CCN(Cc3ccccc3)CC1)C2 ZINC000738433685 598517713 /nfs/dbraw/zinc/51/77/13/598517713.db2.gz XFLXEPQEQBHYLC-INIZCTEOSA-N 1 0 393.499 1.359 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)OCCO2 ZINC000736133161 598518266 /nfs/dbraw/zinc/51/82/66/598518266.db2.gz FSPSHACFLJAVNA-NWDGAFQWSA-N 1 0 382.428 1.227 20 0 GDADRO FC(F)Oc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737639082 598518870 /nfs/dbraw/zinc/51/88/70/598518870.db2.gz NAJLTBCSOOFHGF-NSHDSACASA-N 1 0 376.371 1.496 20 0 GDADRO FC(F)Oc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737638661 598520739 /nfs/dbraw/zinc/52/07/39/598520739.db2.gz JCFPSPZHNLIKGZ-JTQLQIEISA-N 1 0 376.371 1.496 20 0 GDADRO c1cnn(Cc2ccc(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cc2)c1 ZINC000738447129 598520884 /nfs/dbraw/zinc/52/08/84/598520884.db2.gz FAXLSJSRWMMLGX-INIZCTEOSA-N 1 0 390.455 1.140 20 0 GDADRO CCCOc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000736490243 598521917 /nfs/dbraw/zinc/52/19/17/598521917.db2.gz IWMZUMMVFKPNIB-CQSZACIVSA-N 1 0 398.471 1.692 20 0 GDADRO CCCNC(=O)c1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000736487068 598522923 /nfs/dbraw/zinc/52/29/23/598522923.db2.gz BDGXACOWIFRLGN-CQSZACIVSA-N 1 0 395.471 1.035 20 0 GDADRO Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CNc3c(-c4nn[nH]n4)cnn3C1)CCCO2 ZINC000737664921 598525034 /nfs/dbraw/zinc/52/50/34/598525034.db2.gz GMMHTZLBPNAJGT-IAQYHMDHSA-N 1 0 384.419 1.748 20 0 GDADRO c1cn(-c2ccc(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cc2)cn1 ZINC000738445140 598526888 /nfs/dbraw/zinc/52/68/88/598526888.db2.gz CYOMOLZQUTWCIM-AWEZNQCLSA-N 1 0 376.428 1.080 20 0 GDADRO COc1ccccc1OCCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737153263 598529968 /nfs/dbraw/zinc/52/99/68/598529968.db2.gz YOUXECGPUHPXEM-CYBMUJFWSA-N 1 0 384.444 1.172 20 0 GDADRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736204897 598530274 /nfs/dbraw/zinc/53/02/74/598530274.db2.gz SSVFBNAUFJUKNB-HLLBOEOZSA-N 1 0 393.499 1.530 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000822535172 607359936 /nfs/dbraw/zinc/35/99/36/607359936.db2.gz IOYPCNREPZLKTJ-AWEZNQCLSA-N 1 0 399.455 1.135 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC1 ZINC000736859719 598580230 /nfs/dbraw/zinc/58/02/30/598580230.db2.gz IACWRNGAXWHYCY-CYBMUJFWSA-N 1 0 376.896 1.521 20 0 GDADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC([NH+](C)C)CC1 ZINC000819867045 607362055 /nfs/dbraw/zinc/36/20/55/607362055.db2.gz QKBITOQAVUKECO-LLVKDONJSA-N 1 0 377.880 1.873 20 0 GDADRO COCC[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737006735 598596999 /nfs/dbraw/zinc/59/69/99/598596999.db2.gz IPRSUFAADFJQCY-GOSISDBHSA-N 1 0 399.499 1.063 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000737006345 598606435 /nfs/dbraw/zinc/60/64/35/598606435.db2.gz GLXYCLKVNKJSAZ-QZTJIDSGSA-N 1 0 399.499 1.063 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCCC[C@H]1C ZINC000736268283 598636899 /nfs/dbraw/zinc/63/68/99/598636899.db2.gz RYVDZGIPCBNURN-NEPJUHHUSA-N 1 0 389.435 1.323 20 0 GDADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000737169376 598682494 /nfs/dbraw/zinc/68/24/94/598682494.db2.gz VJBGVTZWJMRKGX-CQSZACIVSA-N 1 0 382.465 1.300 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736849319 598685515 /nfs/dbraw/zinc/68/55/15/598685515.db2.gz RPUXGXTVLFZSKI-CYBMUJFWSA-N 1 0 379.424 1.736 20 0 GDADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736239192 598701854 /nfs/dbraw/zinc/70/18/54/598701854.db2.gz WVYDPTDDGKNCMU-QWRGUYRKSA-N 1 0 391.863 1.435 20 0 GDADRO C[C@H](O)C1CC[NH+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000736142079 598706223 /nfs/dbraw/zinc/70/62/23/598706223.db2.gz CJIFIWKADRTBRF-NSHDSACASA-N 1 0 390.513 1.838 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737843709 598706717 /nfs/dbraw/zinc/70/67/17/598706717.db2.gz MSZDLYMKICZUSY-GFCCVEGCSA-N 1 0 389.485 1.344 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=S)Nc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736850828 598761952 /nfs/dbraw/zinc/76/19/52/598761952.db2.gz CIFZBCVRPBVJRW-ZDUSSCGKSA-N 1 0 386.529 1.322 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737159859 598800958 /nfs/dbraw/zinc/80/09/58/598800958.db2.gz QWTABKJTFGDSOK-UHFFFAOYSA-N 1 0 394.439 1.302 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CSCCS1 ZINC000736767635 598805502 /nfs/dbraw/zinc/80/55/02/598805502.db2.gz RTZJCFOTCPJBIZ-HNNXBMFYSA-N 1 0 392.554 1.606 20 0 GDADRO O=C(CNCC(F)(F)F)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737894074 598811352 /nfs/dbraw/zinc/81/13/52/598811352.db2.gz DKQWHSPAPOTFGI-UHFFFAOYSA-N 1 0 397.405 1.053 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736131402 599300080 /nfs/dbraw/zinc/30/00/80/599300080.db2.gz JTTWYNQGMLRREL-WWGRRREGSA-N 1 0 397.483 1.430 20 0 GDADRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736412139 599301896 /nfs/dbraw/zinc/30/18/96/599301896.db2.gz UCEAQUKSCGNOFF-ZTFGCOKTSA-N 1 0 397.483 1.209 20 0 GDADRO CCn1cnnc1C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821566498 599306074 /nfs/dbraw/zinc/30/60/74/599306074.db2.gz HHNICBSEXBGOIP-UHFFFAOYSA-N 1 0 395.471 1.686 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821253124 599347802 /nfs/dbraw/zinc/34/78/02/599347802.db2.gz CVFKCTMGKQTERR-FZMZJTMJSA-N 1 0 398.920 1.871 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000822143633 599362723 /nfs/dbraw/zinc/36/27/23/599362723.db2.gz DNDBMPIWDDIBPD-OAHLLOKOSA-N 1 0 378.502 1.670 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000821000662 599369364 /nfs/dbraw/zinc/36/93/64/599369364.db2.gz HQVMRWSTXNHOEN-GJZGRUSLSA-N 1 0 376.486 1.422 20 0 GDADRO CC[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+](CC)CC ZINC000736313682 599373067 /nfs/dbraw/zinc/37/30/67/599373067.db2.gz OUPAAFBASWZLBU-INIZCTEOSA-N 1 0 386.504 1.467 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821087846 599373888 /nfs/dbraw/zinc/37/38/88/599373888.db2.gz HKXIIOLAEWZHLT-LBPRGKRZSA-N 1 0 382.465 1.358 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000821181671 599374723 /nfs/dbraw/zinc/37/47/23/599374723.db2.gz OEHCCHZZKSZVOW-LBPRGKRZSA-N 1 0 384.893 1.625 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(-n2ccnc2)c1 ZINC000820420315 599461580 /nfs/dbraw/zinc/46/15/80/599461580.db2.gz OZOQGCSFXYLTFX-UONOGXRCSA-N 1 0 390.455 1.641 20 0 GDADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823798811 599475378 /nfs/dbraw/zinc/47/53/78/599475378.db2.gz YVRHOMVUVBEMEW-OAHLLOKOSA-N 1 0 379.468 1.892 20 0 GDADRO COc1ccc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1OC ZINC000737090087 599482487 /nfs/dbraw/zinc/48/24/87/599482487.db2.gz HKWDDBWVAQHRSC-UHFFFAOYSA-N 1 0 379.424 1.864 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000738420473 599483288 /nfs/dbraw/zinc/48/32/88/599483288.db2.gz HLQLOLIQTNXJJG-UHFFFAOYSA-N 1 0 396.499 1.639 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000738421131 599491904 /nfs/dbraw/zinc/49/19/04/599491904.db2.gz PKGJEJWJBXQKBA-CQSZACIVSA-N 1 0 382.472 1.105 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000738163225 599505217 /nfs/dbraw/zinc/50/52/17/599505217.db2.gz QEAWVSCFMJQJAY-UHFFFAOYSA-N 1 0 389.435 1.582 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000821181801 599526392 /nfs/dbraw/zinc/52/63/92/599526392.db2.gz PNUIBANHUIJGKS-UHFFFAOYSA-N 1 0 394.483 1.405 20 0 GDADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[nH]n1 ZINC000821100304 599603860 /nfs/dbraw/zinc/60/38/60/599603860.db2.gz XYUDWPFULOOLLF-UHFFFAOYSA-N 1 0 387.488 1.742 20 0 GDADRO Cc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)[nH]n1 ZINC000737265113 599613049 /nfs/dbraw/zinc/61/30/49/599613049.db2.gz SKLDKRANBPWZRL-UHFFFAOYSA-N 1 0 383.460 1.172 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821088793 599615687 /nfs/dbraw/zinc/61/56/87/599615687.db2.gz WOTWPXCWRIAVBN-GFCCVEGCSA-N 1 0 389.435 1.135 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821266745 599675909 /nfs/dbraw/zinc/67/59/09/599675909.db2.gz GSVDIXKTVDGXAI-MRXNPFEDSA-N 1 0 399.499 1.904 20 0 GDADRO CC(C)[NH+](CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)C(C)C ZINC000820117052 599694443 /nfs/dbraw/zinc/69/44/43/599694443.db2.gz SFGWFVKCNKNKRE-UHFFFAOYSA-N 1 0 384.481 1.793 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000823331178 599700271 /nfs/dbraw/zinc/70/02/71/599700271.db2.gz BREJQPRTGNPDKV-IBGZPJMESA-N 1 0 382.399 1.581 20 0 GDADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000824045165 607859552 /nfs/dbraw/zinc/85/95/52/607859552.db2.gz HPJKCIVLOXJCMI-ZETOZRRWSA-N 1 0 378.864 1.940 20 0 GDADRO Cc1[nH]c(C(=O)[C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)c1C(=O)[O-] ZINC000738231480 599962998 /nfs/dbraw/zinc/96/29/98/599962998.db2.gz ZZICQSGLQALCFN-IUODEOHRSA-N 1 0 379.501 1.926 20 0 GDADRO O=C([O-])c1ccc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000739416385 600531500 /nfs/dbraw/zinc/53/15/00/600531500.db2.gz DAXZUIYEPQDGMY-UHFFFAOYSA-N 1 0 387.440 1.384 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC1 ZINC000736475151 600667686 /nfs/dbraw/zinc/66/76/86/600667686.db2.gz RPXXJNNRSBAUDZ-UHFFFAOYSA-N 1 0 388.512 1.952 20 0 GDADRO C[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)[C@H](CO)C(C)(C)C ZINC000825892033 607473256 /nfs/dbraw/zinc/47/32/56/607473256.db2.gz CNIPFFPXFZSAOO-OAHLLOKOSA-N 1 0 398.471 1.330 20 0 GDADRO CCCNC(=O)CN1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821113899 607473545 /nfs/dbraw/zinc/47/35/45/607473545.db2.gz HFEGAHAXQGLNTH-UHFFFAOYSA-N 1 0 375.452 1.086 20 0 GDADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(F)(F)F ZINC000822694159 607475604 /nfs/dbraw/zinc/47/56/04/607475604.db2.gz XLFRWYOEYXKWPI-HNNXBMFYSA-N 1 0 399.352 1.669 20 0 GDADRO C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000827379395 601084886 /nfs/dbraw/zinc/08/48/86/601084886.db2.gz HRAPVNCZHYBPLF-KRWDZBQOSA-N 1 0 388.512 1.055 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)[C@@H](C)C1 ZINC000825452873 607513221 /nfs/dbraw/zinc/51/32/21/607513221.db2.gz RQSYNILNPHERHE-ZFWWWQNUSA-N 1 0 387.492 1.045 20 0 GDADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000825859203 607549735 /nfs/dbraw/zinc/54/97/35/607549735.db2.gz DPZIHRYZPZSZLX-UHFFFAOYSA-N 1 0 382.465 1.405 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])C(C)(C)C)cc2)CC1 ZINC000829780479 602228355 /nfs/dbraw/zinc/22/83/55/602228355.db2.gz IDLLIEFEKCZHRN-GOSISDBHSA-N 1 0 376.501 1.856 20 0 GDADRO COc1ccc(CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1-c1nn[nH]n1 ZINC000826199749 607558163 /nfs/dbraw/zinc/55/81/63/607558163.db2.gz KTGFTVMNZQJPKH-UHFFFAOYSA-N 1 0 395.467 1.936 20 0 GDADRO COc1ccc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826199266 607569138 /nfs/dbraw/zinc/56/91/38/607569138.db2.gz UDFDTZVWGDPTQK-KGLIPLIRSA-N 1 0 387.488 1.795 20 0 GDADRO OCC1(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)COC1 ZINC000826508161 607571989 /nfs/dbraw/zinc/57/19/89/607571989.db2.gz GQDMQTKGPJCXHU-UHFFFAOYSA-N 1 0 381.436 1.544 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000824941690 607579570 /nfs/dbraw/zinc/57/95/70/607579570.db2.gz ZMYBWNDFLMIQPN-LBPRGKRZSA-N 1 0 382.465 1.549 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)[N@@H+]1CCC[C@H](C)C1 ZINC000824947734 607588788 /nfs/dbraw/zinc/58/87/88/607588788.db2.gz QFCXCTFPDVYFME-NWDGAFQWSA-N 1 0 382.465 1.405 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)C[NH+]1CCCCC1 ZINC000824426970 607593547 /nfs/dbraw/zinc/59/35/47/607593547.db2.gz JGWCLNONXYRTQD-GFCCVEGCSA-N 1 0 398.920 1.920 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000824906726 607595270 /nfs/dbraw/zinc/59/52/70/607595270.db2.gz DHPHIIMWOOSXLO-RBSFLKMASA-N 1 0 390.513 1.893 20 0 GDADRO O=S(=O)(c1ccc(F)cc1-c1nn[nH]n1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000826495378 607607944 /nfs/dbraw/zinc/60/79/44/607607944.db2.gz NNWJLFFYQAOVSW-CQSZACIVSA-N 1 0 394.476 1.645 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000825000192 607614799 /nfs/dbraw/zinc/61/47/99/607614799.db2.gz NUCSTLMIKRWART-QWRGUYRKSA-N 1 0 382.877 1.377 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 ZINC000825192493 607614883 /nfs/dbraw/zinc/61/48/83/607614883.db2.gz HKXUHMPVEKIHLC-AWEZNQCLSA-N 1 0 378.502 1.718 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825220151 607623991 /nfs/dbraw/zinc/62/39/91/607623991.db2.gz PTSBDLFKQGJIFK-HUUCEWRRSA-N 1 0 385.472 1.644 20 0 GDADRO Cc1[nH]c(=O)ccc1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826327721 607638825 /nfs/dbraw/zinc/63/88/25/607638825.db2.gz RTKDBGLCBXKDJE-UHFFFAOYSA-N 1 0 393.451 1.624 20 0 GDADRO O=S(=O)(c1ccc(F)cc1-c1nn[nH]n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000826495180 607640804 /nfs/dbraw/zinc/64/08/04/607640804.db2.gz GERJGRDQLFFGPO-LBPRGKRZSA-N 1 0 380.449 1.112 20 0 GDADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000824886379 607645030 /nfs/dbraw/zinc/64/50/30/607645030.db2.gz XZHIOZXPQZXRMC-CMPLNLGQSA-N 1 0 384.893 1.623 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000825453495 607648688 /nfs/dbraw/zinc/64/86/88/607648688.db2.gz VCSWHZQRKFRBJK-UHFFFAOYSA-N 1 0 398.920 1.920 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000824977655 607670905 /nfs/dbraw/zinc/67/09/05/607670905.db2.gz RYBIBWWOFFBGMY-JOYOIKCWSA-N 1 0 382.877 1.281 20 0 GDADRO CC(C)CSCCC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000824274085 607742450 /nfs/dbraw/zinc/74/24/50/607742450.db2.gz DUIMWSFHNVFNDB-CQSZACIVSA-N 1 0 376.534 1.947 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000826402379 607752007 /nfs/dbraw/zinc/75/20/07/607752007.db2.gz SBYMDVIYMLCTQB-OZSKJFCKSA-N 1 0 382.468 1.593 20 0 GDADRO CC1CC[NH+](C2CCC(NC(=O)Nc3nn(C)cc3-c3nn[nH]n3)CC2)CC1 ZINC000824954005 607764139 /nfs/dbraw/zinc/76/41/39/607764139.db2.gz IQCIPHGVDQDEND-UHFFFAOYSA-N 1 0 387.492 1.765 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000825539099 607766273 /nfs/dbraw/zinc/76/62/73/607766273.db2.gz MORVVWPACFELNU-UHFFFAOYSA-N 1 0 388.432 1.651 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1-c1nn[nH]n1 ZINC000825539983 607766836 /nfs/dbraw/zinc/76/68/36/607766836.db2.gz UJMDPBRYQWLXPA-LBPRGKRZSA-N 1 0 388.432 1.603 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC000825538480 607766869 /nfs/dbraw/zinc/76/68/69/607766869.db2.gz HWDZIHJLYMHOCE-NSHDSACASA-N 1 0 390.448 1.897 20 0 GDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@H](NC(=O)[O-])C3)CC2)cc1 ZINC000739908515 605929128 /nfs/dbraw/zinc/92/91/28/605929128.db2.gz UAKWBYXDGHNPNW-KRWDZBQOSA-N 1 0 390.484 1.071 20 0 GDADRO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530031606 649962879 /nfs/dbraw/zinc/96/28/79/649962879.db2.gz ASYMNBWAEWJUSE-DAXOMENPSA-N 1 0 388.295 1.694 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000821596200 606058960 /nfs/dbraw/zinc/05/89/60/606058960.db2.gz CIIMYGFJQVHFPJ-AWEZNQCLSA-N 1 0 387.463 1.879 20 0 GDADRO 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20 0 GDADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)CC1 ZINC000821583556 606736257 /nfs/dbraw/zinc/73/62/57/606736257.db2.gz ZMZNOLOIXHTEGY-UHFFFAOYSA-N 1 0 391.863 1.259 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000822215166 606751450 /nfs/dbraw/zinc/75/14/50/606751450.db2.gz OKEWXNDNZSHOKZ-UHFFFAOYSA-N 1 0 397.439 1.297 20 0 GDADRO Cc1nnc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)[nH]1 ZINC000822437122 606755315 /nfs/dbraw/zinc/75/53/15/606755315.db2.gz WOHCODAHKSHVBZ-CQSZACIVSA-N 1 0 381.444 1.501 20 0 GDADRO O=C(C[N@@H+]1CCC[C@H]2COCC[C@@H]21)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822997018 606774716 /nfs/dbraw/zinc/77/47/16/606774716.db2.gz LCJCEKSXIWVTGO-NHYWBVRUSA-N 1 0 376.848 1.960 20 0 GDADRO C[C@@H]1CN(C(=O)NCCSCc2ccccc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000820735333 606827077 /nfs/dbraw/zinc/82/70/77/606827077.db2.gz RIKRYKNPDUKRQZ-CJNGLKHVSA-N 1 0 389.529 1.691 20 0 GDADRO 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JYVGWTJPCTTXRS-UHFFFAOYSA-N 1 0 382.259 1.938 20 0 GDADRO NC(=O)[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389417 608047562 /nfs/dbraw/zinc/04/75/62/608047562.db2.gz XWVCDENVEHIOAX-INIZCTEOSA-N 1 0 384.390 1.993 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)C[N@@H+]1C1CC1 ZINC000824892790 608065065 /nfs/dbraw/zinc/06/50/65/608065065.db2.gz MSRBUSMIZFFBCM-SKDZVZGDSA-N 1 0 397.483 1.575 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825121789 608065517 /nfs/dbraw/zinc/06/55/17/608065517.db2.gz VJZJULJDQBKRSU-QZTJIDSGSA-N 1 0 399.499 1.824 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825866369 608073968 /nfs/dbraw/zinc/07/39/68/608073968.db2.gz XSYQSMDZPQVTHN-UHFFFAOYSA-N 1 0 380.452 1.705 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nn[nH]n2)s1 ZINC000826431423 608076048 /nfs/dbraw/zinc/07/60/48/608076048.db2.gz AMLDWJDEFJRJQT-GJZGRUSLSA-N 1 0 398.492 1.541 20 0 GDADRO C[C@H]1CN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824970373 608121192 /nfs/dbraw/zinc/12/11/92/608121192.db2.gz WRXGYQVVBZAOIJ-QFBILLFUSA-N 1 0 397.527 1.284 20 0 GDADRO C[C@H]1CN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824994191 608151003 /nfs/dbraw/zinc/15/10/03/608151003.db2.gz UCCQYMSJSXXYOK-HNAYVOBHSA-N 1 0 392.511 1.877 20 0 GDADRO C[C@H]1CN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824992223 608151185 /nfs/dbraw/zinc/15/11/85/608151185.db2.gz KWNXWDMMPRDSLB-GXTWGEPZSA-N 1 0 376.896 1.377 20 0 GDADRO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(-c2nn[nH]n2)c1C ZINC000826341329 608169282 /nfs/dbraw/zinc/16/92/82/608169282.db2.gz DDSJGHDMWUCBHK-QWHCGFSZSA-N 1 0 387.444 1.006 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826479369 608170301 /nfs/dbraw/zinc/17/03/01/608170301.db2.gz XHIWMHRJNFAUIY-DGCLKSJQSA-N 1 0 389.485 1.247 20 0 GDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824859498 608210036 /nfs/dbraw/zinc/21/00/36/608210036.db2.gz PMOUYCHHQGLGEV-VXGBXAGGSA-N 1 0 389.529 1.770 20 0 GDADRO c1cc2nc(N3CC[NH+](CC4CCOCC4)CC3)ccc2cc1-c1nn[nH]n1 ZINC000826518814 608229500 /nfs/dbraw/zinc/22/95/00/608229500.db2.gz YSEGEBBQXNQVNH-UHFFFAOYSA-N 1 0 379.468 1.964 20 0 GDADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824377496 608258122 /nfs/dbraw/zinc/25/81/22/608258122.db2.gz GDJYXDBENHUWFA-SJORKVTESA-N 1 0 382.472 1.952 20 0 GDADRO NC(=O)c1cc(OC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)ccn1 ZINC000826392756 608264864 /nfs/dbraw/zinc/26/48/64/608264864.db2.gz MCGMDRTXZMQWPH-UHFFFAOYSA-N 1 0 379.424 1.404 20 0 GDADRO Cn1cc(C[N@@H+]2CCCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)CC2)cn1 ZINC000826361054 608285708 /nfs/dbraw/zinc/28/57/08/608285708.db2.gz JNUREACVNCHOBY-UHFFFAOYSA-N 1 0 393.499 1.586 20 0 GDADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000826060978 608311431 /nfs/dbraw/zinc/31/14/31/608311431.db2.gz XRELMGKKHJIZSM-CQSZACIVSA-N 1 0 380.456 1.319 20 0 GDADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2Cn2cncn2)c1-c1nn[nH]n1 ZINC000826332179 608312394 /nfs/dbraw/zinc/31/23/94/608312394.db2.gz MASAHTLDWVHFCA-INIZCTEOSA-N 1 0 390.455 1.617 20 0 GDADRO C[C@H](CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C[NH+]1CCCCC1 ZINC000824428396 608328031 /nfs/dbraw/zinc/32/80/31/608328031.db2.gz RTHFEAAKBOZAKM-CYBMUJFWSA-N 1 0 396.492 1.547 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826033931 608333845 /nfs/dbraw/zinc/33/38/45/608333845.db2.gz LIMLAEYTHGJOAI-HZPDHXFCSA-N 1 0 394.476 1.394 20 0 GDADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCCOc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826359938 608376474 /nfs/dbraw/zinc/37/64/74/608376474.db2.gz SYBCOXYQZIXEKL-PKOBYXMFSA-N 1 0 397.483 1.957 20 0 GDADRO CCN1C(=O)N=NC1C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000825787377 608382069 /nfs/dbraw/zinc/38/20/69/608382069.db2.gz FMOCDTYKRYVCAK-UHFFFAOYSA-N 1 0 384.444 1.572 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC1 ZINC000826389857 608436297 /nfs/dbraw/zinc/43/62/97/608436297.db2.gz KDAMHZHGSBFRMW-KRWDZBQOSA-N 1 0 396.499 1.059 20 0 GDADRO O=C1CCCN1C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826480405 608444101 /nfs/dbraw/zinc/44/41/01/608444101.db2.gz AHNSYTLTUYEPKO-MOPGFXCFSA-N 1 0 392.463 1.853 20 0 GDADRO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC1(O)CCS(=O)(=O)CC1 ZINC000824262059 608449016 /nfs/dbraw/zinc/44/90/16/608449016.db2.gz VLABVBRQOMYNSW-UHFFFAOYSA-N 1 0 393.513 1.264 20 0 GDADRO COCc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826164724 608464694 /nfs/dbraw/zinc/46/46/94/608464694.db2.gz MYDUSQLXGHMARP-AWEZNQCLSA-N 1 0 380.452 1.980 20 0 GDADRO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826217493 608485361 /nfs/dbraw/zinc/48/53/61/608485361.db2.gz OZLXLYPESZTOAU-ZDUSSCGKSA-N 1 0 387.465 2.000 20 0 GDADRO C[C@@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824555592 608490403 /nfs/dbraw/zinc/49/04/03/608490403.db2.gz XYPMSUTWULYHJX-GFCCVEGCSA-N 1 0 377.408 1.503 20 0 GDADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824000043 608491340 /nfs/dbraw/zinc/49/13/40/608491340.db2.gz RVAFZSIVICXUSZ-FZKQIMNGSA-N 1 0 396.451 1.916 20 0 GDADRO NC(=O)c1csc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826393699 608509626 /nfs/dbraw/zinc/50/96/26/608509626.db2.gz FKUZWNVTCYIIPF-UHFFFAOYSA-N 1 0 397.508 1.735 20 0 GDADRO c1ccc2c(c1)OCC[C@H]2C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826524550 608512141 /nfs/dbraw/zinc/51/21/41/608512141.db2.gz ZDLKYDVVFKVOTP-INIZCTEOSA-N 1 0 377.452 1.950 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NCCOc1ccccc1 ZINC000826412387 608532581 /nfs/dbraw/zinc/53/25/81/608532581.db2.gz MFESVGRQIDCSCM-UHFFFAOYSA-N 1 0 378.436 1.641 20 0 GDADRO CC[N@H+](Cc1cnc2c(C(N)=O)cnn2c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825443810 608550645 /nfs/dbraw/zinc/55/06/45/608550645.db2.gz GNEXNJPZTBUGOX-LBPRGKRZSA-N 1 0 391.439 1.591 20 0 GDADRO CS(=O)(=O)C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000826222083 608553578 /nfs/dbraw/zinc/55/35/78/608553578.db2.gz HZZSLHLRINADCA-MRXNPFEDSA-N 1 0 387.465 1.621 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824984806 608588074 /nfs/dbraw/zinc/58/80/74/608588074.db2.gz NVGDRZFDYDJGJQ-NWDGAFQWSA-N 1 0 389.529 1.770 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000826327425 608595926 /nfs/dbraw/zinc/59/59/26/608595926.db2.gz HCULIAYCANSXLI-NEPJUHHUSA-N 1 0 397.487 1.010 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824909854 608654051 /nfs/dbraw/zinc/65/40/51/608654051.db2.gz VKQGODRSHZGOCN-GJZGRUSLSA-N 1 0 375.546 1.919 20 0 GDADRO COCC[N@H+](CCO)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826158239 608675319 /nfs/dbraw/zinc/67/53/19/608675319.db2.gz GZCIVOBOIQOMKA-UHFFFAOYSA-N 1 0 383.452 1.886 20 0 GDADRO C[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825991893 608683870 /nfs/dbraw/zinc/68/38/70/608683870.db2.gz LAVMGNFZKJBNCR-AWEZNQCLSA-N 1 0 398.471 1.956 20 0 GDADRO O=C1CCCCN1CC1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826479721 608714615 /nfs/dbraw/zinc/71/46/15/608714615.db2.gz GRGXMLGIGPFXEH-UHFFFAOYSA-N 1 0 394.483 1.739 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1=O ZINC000530576544 649978849 /nfs/dbraw/zinc/97/88/49/649978849.db2.gz DVEJKCRNASGBEG-VNQPRFMTSA-N 1 0 394.313 1.831 20 0 GDADRO c1cnc(N2CC[NH+](CCCCNc3cnccc3-c3nn[nH]n3)CC2)nc1 ZINC000826525435 608783453 /nfs/dbraw/zinc/78/34/53/608783453.db2.gz KKJLOCVDSCTIOQ-UHFFFAOYSA-N 1 0 380.460 1.066 20 0 GDADRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826366613 609168404 /nfs/dbraw/zinc/16/84/04/609168404.db2.gz QFBOCHRFVAZQHQ-DLBZAZTESA-N 1 0 392.467 1.763 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824270721 609187359 /nfs/dbraw/zinc/18/73/59/609187359.db2.gz FJSRCWSIBPEJFU-UHFFFAOYSA-N 1 0 396.492 1.546 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824271827 609187587 /nfs/dbraw/zinc/18/75/87/609187587.db2.gz QYFIZRLDIROFPM-UHFFFAOYSA-N 1 0 378.502 1.407 20 0 GDADRO COc1nc(C)cc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826221617 609212750 /nfs/dbraw/zinc/21/27/50/609212750.db2.gz NBXIQCHVSZODFZ-UHFFFAOYSA-N 1 0 380.456 1.686 20 0 GDADRO C[NH+](C)Cc1cc(CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000825870539 609231597 /nfs/dbraw/zinc/23/15/97/609231597.db2.gz QLUUCJWAMWBEIM-QGZVFWFLSA-N 1 0 384.415 1.417 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826435540 609232158 /nfs/dbraw/zinc/23/21/58/609232158.db2.gz QNHWLPNLDWFMMD-RTBURBONSA-N 1 0 392.463 1.681 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1=O ZINC000826018297 609242496 /nfs/dbraw/zinc/24/24/96/609242496.db2.gz VBRYWYSUQYWVIL-KKVAFCGZSA-N 1 0 395.467 1.554 20 0 GDADRO NC(=O)CCn1ccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826391332 609246467 /nfs/dbraw/zinc/24/64/67/609246467.db2.gz GQQRDUORXHNEOD-UHFFFAOYSA-N 1 0 395.471 1.015 20 0 GDADRO c1cc(-c2nn[nH]n2)cc(C2([NH2+]C3CCN(CCN4CCOCC4)CC3)CC2)c1 ZINC000826513254 609250915 /nfs/dbraw/zinc/25/09/15/609250915.db2.gz FXVTXOAWNDWKPZ-UHFFFAOYSA-N 1 0 397.527 1.242 20 0 GDADRO O=C(C=Cc1ccncn1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826402949 609297008 /nfs/dbraw/zinc/29/70/08/609297008.db2.gz GPBHBUCUJWOEBS-SREVYHEPSA-N 1 0 390.451 1.404 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000825460539 609299670 /nfs/dbraw/zinc/29/96/70/609299670.db2.gz ZYFPDFLDJAKKPH-ZDUSSCGKSA-N 1 0 391.907 1.524 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000825458786 609299744 /nfs/dbraw/zinc/29/97/44/609299744.db2.gz GAHLPTYIFBJABI-LBPRGKRZSA-N 1 0 377.880 1.276 20 0 GDADRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825068792 609336415 /nfs/dbraw/zinc/33/64/15/609336415.db2.gz WTLLSIVVYUNARK-CYBMUJFWSA-N 1 0 382.472 1.662 20 0 GDADRO Cn1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361356 609337668 /nfs/dbraw/zinc/33/76/68/609337668.db2.gz UKDHWJAXMININO-MSOLQXFVSA-N 1 0 378.484 1.984 20 0 GDADRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826160607 609348113 /nfs/dbraw/zinc/34/81/13/609348113.db2.gz YYTHFXMEETXATK-LRDDRELGSA-N 1 0 378.452 1.834 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C[C@H]1[NH+](C)C ZINC000824977282 609357781 /nfs/dbraw/zinc/35/77/81/609357781.db2.gz PZTYTDGQCVWCIB-BXUZGUMPSA-N 1 0 399.434 1.605 20 0 GDADRO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C[C@H]1CCCC[C@@H]1O ZINC000825892834 609375517 /nfs/dbraw/zinc/37/55/17/609375517.db2.gz VNPRBAQMFCMSNL-ABAIWWIYSA-N 1 0 378.864 1.942 20 0 GDADRO Cc1nnc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(-c2nn[nH]n2)c1C ZINC000826336903 609385999 /nfs/dbraw/zinc/38/59/99/609385999.db2.gz TVZAQYWTEGXTPJ-QGZVFWFLSA-N 1 0 394.483 1.842 20 0 GDADRO C[N@H+](CCO)C1CCN(C(=O)c2c(Cl)cc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000825942058 609392836 /nfs/dbraw/zinc/39/28/36/609392836.db2.gz URXHYQQNZOUJJR-UHFFFAOYSA-N 1 0 399.282 1.702 20 0 GDADRO O=C1[C@H]([NH2+]C[C@H]2CCCn3ccnc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476598 609417847 /nfs/dbraw/zinc/41/78/47/609417847.db2.gz KYFKYJGFLLMVEP-NVXWUHKLSA-N 1 0 392.467 1.726 20 0 GDADRO COc1cccc([C@@H](CO)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826214733 609426946 /nfs/dbraw/zinc/42/69/46/609426946.db2.gz VNTTZSYMVJAJRW-QGZVFWFLSA-N 1 0 382.424 1.527 20 0 GDADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1 ZINC000826188693 609468618 /nfs/dbraw/zinc/46/86/18/609468618.db2.gz DEDUXEGKWGSJEN-QGZVFWFLSA-N 1 0 381.440 1.770 20 0 GDADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1 ZINC000826188692 609468963 /nfs/dbraw/zinc/46/89/63/609468963.db2.gz DEDUXEGKWGSJEN-KRWDZBQOSA-N 1 0 381.440 1.770 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000530826923 649981913 /nfs/dbraw/zinc/98/19/13/649981913.db2.gz MIVGLAFLRGYQDO-GFCCVEGCSA-N 1 0 393.289 1.691 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCCN1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000530841628 649982075 /nfs/dbraw/zinc/98/20/75/649982075.db2.gz WCMCRFSFSYGPPI-HNNXBMFYSA-N 1 0 388.921 1.277 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)NCc2n[nH]cc2Br)CC1 ZINC000531375994 649989872 /nfs/dbraw/zinc/98/98/72/649989872.db2.gz NXYAKDPIEXJMSZ-UHFFFAOYSA-N 1 0 388.310 1.815 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000532196678 650018754 /nfs/dbraw/zinc/01/87/54/650018754.db2.gz CSCBYUIOKTYNGV-BMIGLBTASA-N 1 0 383.901 1.986 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1 ZINC000532166793 650017643 /nfs/dbraw/zinc/01/76/43/650017643.db2.gz HDYFJKPYPKIUQU-UHFFFAOYSA-N 1 0 376.404 1.822 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CCN(C(N)=O)CC2)s1 ZINC000532216041 650019074 /nfs/dbraw/zinc/01/90/74/650019074.db2.gz QAYQPZUJHZMQFZ-UHFFFAOYSA-N 1 0 388.559 1.454 20 0 GDADRO O=C(NCC[NH+]1CCC1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000532787187 650033763 /nfs/dbraw/zinc/03/37/63/650033763.db2.gz HMGXDANQZHKUPN-OAHLLOKOSA-N 1 0 380.286 1.876 20 0 GDADRO CC(C)C[C@H](NS(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000533911786 650215942 /nfs/dbraw/zinc/21/59/42/650215942.db2.gz MUTCSNKRGUZQSQ-HNNXBMFYSA-N 1 0 393.912 1.850 20 0 GDADRO NS(=O)(=O)CC1CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000534875806 650233080 /nfs/dbraw/zinc/23/30/80/650233080.db2.gz BKWDKWKKDVLHJT-AWEZNQCLSA-N 1 0 380.432 1.609 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCSCC(F)(F)F)CC1=O ZINC000535820879 650258146 /nfs/dbraw/zinc/25/81/46/650258146.db2.gz XCLQLQQPNBNTIT-QWHCGFSZSA-N 1 0 381.464 1.731 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N(CCC(F)(F)F)C[C@H](O)CO)c1ccsc1 ZINC000537368941 650290712 /nfs/dbraw/zinc/29/07/12/650290712.db2.gz POBVMKNXWJQWHY-STQMWFEESA-N 1 0 383.436 1.668 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000538519579 650313288 /nfs/dbraw/zinc/31/32/88/650313288.db2.gz VCFLIHIQUIMRHR-HNNXBMFYSA-N 1 0 376.567 1.466 20 0 GDADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)S(=O)(=O)N1CC[C@@H](C)C1 ZINC000538677558 650317671 /nfs/dbraw/zinc/31/76/71/650317671.db2.gz GQPIMYIXWDMTFL-HZPDHXFCSA-N 1 0 375.535 1.313 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(NS(C)(=O)=O)cc1 ZINC000539042375 650327412 /nfs/dbraw/zinc/32/74/12/650327412.db2.gz GDOFLZWCAZCGFT-LBPRGKRZSA-N 1 0 377.532 1.427 20 0 GDADRO COCCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000539171021 650329669 /nfs/dbraw/zinc/32/96/69/650329669.db2.gz QLHZPKSKDBPTHG-HRCADAONSA-N 1 0 375.535 1.094 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000539530471 650337015 /nfs/dbraw/zinc/33/70/15/650337015.db2.gz AUUDBLYYZMIHOX-SNVBAGLBSA-N 1 0 392.319 1.557 20 0 GDADRO CN(CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)S(=O)(=O)c1ccc(Cl)s1 ZINC000540913258 650372884 /nfs/dbraw/zinc/37/28/84/650372884.db2.gz HVVZYNRAIPTVLN-VXGBXAGGSA-N 1 0 391.946 1.575 20 0 GDADRO CN(CCNC(=O)NCC1(C)CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000540954751 650374623 /nfs/dbraw/zinc/37/46/23/650374623.db2.gz YPLZXUBDGCSZEB-UHFFFAOYSA-N 1 0 388.559 1.400 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCN(CCOC)C2)s1 ZINC000544353468 650438612 /nfs/dbraw/zinc/43/86/12/650438612.db2.gz LLHAQPQLQOLHKQ-HNNXBMFYSA-N 1 0 389.587 1.631 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(Br)o2)CC1 ZINC000544721648 650445301 /nfs/dbraw/zinc/44/53/01/650445301.db2.gz QVJAZRBJWSKLRO-UHFFFAOYSA-N 1 0 380.308 1.346 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC000544846068 650446875 /nfs/dbraw/zinc/44/68/75/650446875.db2.gz PWQHTZMYILWGQP-MRXNPFEDSA-N 1 0 387.933 1.388 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000545160859 650449716 /nfs/dbraw/zinc/44/97/16/650449716.db2.gz BLSRQBSZFSZFAB-UHFFFAOYSA-N 1 0 385.917 1.729 20 0 GDADRO CC[NH+](CC)CCN(CCOC)c1ncc(I)cn1 ZINC000545208124 650451890 /nfs/dbraw/zinc/45/18/90/650451890.db2.gz NAJOKFNKJMLZDX-UHFFFAOYSA-N 1 0 378.258 1.876 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000545881452 650464073 /nfs/dbraw/zinc/46/40/73/650464073.db2.gz FRSXXKWUWBMOCL-YOEHRIQHSA-N 1 0 383.901 1.038 20 0 GDADRO COc1ccc(Br)c2[nH]c(C(=O)NC[C@]3(O)CC[N@H+](C)C3)cc21 ZINC000546571390 650479143 /nfs/dbraw/zinc/47/91/43/650479143.db2.gz KBPURWKYWWHONP-MRXNPFEDSA-N 1 0 382.258 1.735 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cccc(I)c2)C1 ZINC000546571336 650479175 /nfs/dbraw/zinc/47/91/75/650479175.db2.gz LYNZFSNYXNCKJU-ZDUSSCGKSA-N 1 0 375.210 1.479 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000546570129 650479249 /nfs/dbraw/zinc/47/92/49/650479249.db2.gz JFZAGDILTJBRGV-MRXNPFEDSA-N 1 0 397.248 1.570 20 0 GDADRO Cc1nc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000547274073 650493222 /nfs/dbraw/zinc/49/32/22/650493222.db2.gz JKNCRBJKLFCKCI-MRXNPFEDSA-N 1 0 384.267 1.679 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000547542805 650500024 /nfs/dbraw/zinc/50/00/24/650500024.db2.gz CLRIEIUKIWIPMF-BNOWGMLFSA-N 1 0 392.319 1.360 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)NCCc1ccc(Br)cc1)C1CC1 ZINC000550455515 650593199 /nfs/dbraw/zinc/59/31/99/650593199.db2.gz ODZMESFQCQIZMH-UHFFFAOYSA-N 1 0 382.302 1.708 20 0 GDADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000916186130 660188584 /nfs/dbraw/zinc/18/85/84/660188584.db2.gz COHULRHUZKKJNO-JTQLQIEISA-N 1 0 391.287 1.549 20 0 GDADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000550700111 650596336 /nfs/dbraw/zinc/59/63/36/650596336.db2.gz BIXPRRCYCORJSJ-RUXDESIVSA-N 1 0 395.568 1.076 20 0 GDADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552439228 650626631 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383.905 1.938 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)NCC[NH+](C)C ZINC000556904177 650714471 /nfs/dbraw/zinc/71/44/71/650714471.db2.gz SGARXDHLXGSQLS-MNOVXSKESA-N 1 0 376.284 1.943 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000556997712 650716075 /nfs/dbraw/zinc/71/60/75/650716075.db2.gz MAEMNGVFYCSDFA-UHFFFAOYSA-N 1 0 397.163 1.315 20 0 GDADRO CN1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000557164537 650719469 /nfs/dbraw/zinc/71/94/69/650719469.db2.gz OZCCFDYJVSWUEK-CQSZACIVSA-N 1 0 398.305 1.062 20 0 GDADRO O=C(NCc1sccc1Br)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000557252418 650721919 /nfs/dbraw/zinc/72/19/19/650721919.db2.gz BQRLHKIDSFAKBC-NSHDSACASA-N 1 0 386.315 1.824 20 0 GDADRO [NH3+]CCNC(=O)C(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000557256400 650722323 /nfs/dbraw/zinc/72/23/23/650722323.db2.gz FNDGVNQJBXYHSZ-UHFFFAOYSA-N 1 0 380.242 1.172 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2OC(F)(F)F)C1 ZINC000557507737 650727271 /nfs/dbraw/zinc/72/72/71/650727271.db2.gz AWTSKTBXDODNGV-JSGCOSHPSA-N 1 0 381.416 1.903 20 0 GDADRO CC[NH+](CC)CCCNC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000559648218 650734967 /nfs/dbraw/zinc/73/49/67/650734967.db2.gz BWLXGBMNNZTAEY-UHFFFAOYSA-N 1 0 384.318 1.956 20 0 GDADRO C[C@H](CO)[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCCC1 ZINC000561887198 650736291 /nfs/dbraw/zinc/73/62/91/650736291.db2.gz HOUJJBROMARXDH-LLVKDONJSA-N 1 0 389.905 1.551 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000563710178 650738023 /nfs/dbraw/zinc/73/80/23/650738023.db2.gz VQDRNUWQHJAIDI-CABCVRRESA-N 1 0 380.432 1.622 20 0 GDADRO NC(=O)NC(=O)CC[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000563882030 650741822 /nfs/dbraw/zinc/74/18/22/650741822.db2.gz VKKKJTVGDRSXCL-UHFFFAOYSA-N 1 0 383.290 1.588 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@H](C)S(C)(=O)=O)cc1Br ZINC000563889034 650741969 /nfs/dbraw/zinc/74/19/69/650741969.db2.gz SXZHIJJPZLSDPE-WCQYABFASA-N 1 0 394.331 1.631 20 0 GDADRO COC(=O)C[C@](C)([NH2+]CCN1CCNC1=O)c1ccc(Br)cc1 ZINC000564152743 650750791 /nfs/dbraw/zinc/75/07/91/650750791.db2.gz NMKOLSHOJPWJIK-INIZCTEOSA-N 1 0 384.274 1.842 20 0 GDADRO O=C(CNC(=O)NCC[N@@H+]1CCCOCC1)Nc1cccc(Br)c1 ZINC000564709806 650765205 /nfs/dbraw/zinc/76/52/05/650765205.db2.gz UNNVOANHGIFZSB-UHFFFAOYSA-N 1 0 399.289 1.409 20 0 GDADRO CO[C@H]1CCN(C(=O)Cc2ccc(I)cc2)[C@@H](C[NH3+])C1 ZINC000564562471 650761661 /nfs/dbraw/zinc/76/16/61/650761661.db2.gz OXDSZGHHWNZJLP-KGLIPLIRSA-N 1 0 388.249 1.798 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000564657376 650764040 /nfs/dbraw/zinc/76/40/40/650764040.db2.gz DLBGBHVPWRXYRQ-VIFPVBQESA-N 1 0 375.219 1.685 20 0 GDADRO OCC1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCOCC1 ZINC000564979490 650774871 /nfs/dbraw/zinc/77/48/71/650774871.db2.gz UHEFMERYPYOZHQ-AWEZNQCLSA-N 1 0 392.265 1.707 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000564994099 650775757 /nfs/dbraw/zinc/77/57/57/650775757.db2.gz LQSBGHPXHYWLKZ-CVEARBPZSA-N 1 0 385.555 1.051 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCOc3cccc(Cl)c3Cl)CCN2C1=O ZINC000565252991 650789648 /nfs/dbraw/zinc/78/96/48/650789648.db2.gz GPRZSXRSIQHWBT-PWSUYJOCSA-N 1 0 387.267 1.326 20 0 GDADRO CSC1(CNC(=O)CSCC(=O)Nc2cc(C)on2)CC[NH+](C)CC1 ZINC000565274432 650790203 /nfs/dbraw/zinc/79/02/03/650790203.db2.gz CDGGOBDIHUYYRV-UHFFFAOYSA-N 1 0 386.543 1.598 20 0 GDADRO CC(C)OCC[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000565300549 650791006 /nfs/dbraw/zinc/79/10/06/650791006.db2.gz UBRHOSVCTRCIIY-ZDUSSCGKSA-N 1 0 382.885 1.523 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000565336255 650792424 /nfs/dbraw/zinc/79/24/24/650792424.db2.gz RRIYHZDPIQPMMJ-UHFFFAOYSA-N 1 0 394.273 2.093 20 0 GDADRO CCS(=O)(=O)CCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000565359158 650793172 /nfs/dbraw/zinc/79/31/72/650793172.db2.gz QIPYTXVGVTVWDC-CYBMUJFWSA-N 1 0 398.294 1.742 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000565529065 650800939 /nfs/dbraw/zinc/80/09/39/650800939.db2.gz HOROEMCIBDRPQL-UHFFFAOYSA-N 1 0 383.290 1.065 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000565721383 650810322 /nfs/dbraw/zinc/81/03/22/650810322.db2.gz QJZWKAHVTPXWJB-HUUCEWRRSA-N 1 0 388.921 1.276 20 0 GDADRO COCCOC[C@H](O)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000566124467 650829027 /nfs/dbraw/zinc/82/90/27/650829027.db2.gz YACKLEKDPCRNFL-MRXNPFEDSA-N 1 0 384.274 1.748 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000566132418 650829480 /nfs/dbraw/zinc/82/94/80/650829480.db2.gz WZIUMVBISRERKZ-MRXNPFEDSA-N 1 0 390.933 1.731 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000566209252 650835077 /nfs/dbraw/zinc/83/50/77/650835077.db2.gz QYXXQGLEMPNLIR-MRXNPFEDSA-N 1 0 396.329 1.898 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1F)c1cccs1 ZINC000566232948 650836503 /nfs/dbraw/zinc/83/65/03/650836503.db2.gz WHPAMSVJROJVFS-OLZOCXBDSA-N 1 0 389.470 1.051 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000566237288 650837135 /nfs/dbraw/zinc/83/71/35/650837135.db2.gz NJTMZRACBLVRSH-VXGBXAGGSA-N 1 0 382.302 1.839 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000566252304 650837441 /nfs/dbraw/zinc/83/74/41/650837441.db2.gz YVSDPFVSKOPUNS-ZWNOBZJWSA-N 1 0 392.308 1.482 20 0 GDADRO NS(=O)(=O)CC1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000566411527 650844744 /nfs/dbraw/zinc/84/47/44/650844744.db2.gz LCFZUMHPJWRYKU-JKSUJKDBSA-N 1 0 385.917 1.170 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000566277303 650838787 /nfs/dbraw/zinc/83/87/87/650838787.db2.gz DCHXBCWWAILKPL-UHFFFAOYSA-N 1 0 382.313 1.682 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCCc3ccc(Cl)cc3Cl)CCN2C1=O ZINC000566511956 650853258 /nfs/dbraw/zinc/85/32/58/650853258.db2.gz FCQFMMIYMMKSFA-UKRRQHHQSA-N 1 0 385.295 1.879 20 0 GDADRO C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(Br)s1 ZINC000566512466 650853295 /nfs/dbraw/zinc/85/32/95/650853295.db2.gz HDZQAURWYPBBRU-LPEHRKFASA-N 1 0 387.303 1.525 20 0 GDADRO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000566564320 650856161 /nfs/dbraw/zinc/85/61/61/650856161.db2.gz VCZBTOJKHYWUEA-CQSZACIVSA-N 1 0 386.290 1.266 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000566673790 650862736 /nfs/dbraw/zinc/86/27/36/650862736.db2.gz APSBAKJQDCMOJW-AAEUAGOBSA-N 1 0 380.304 1.602 20 0 GDADRO OCCCN1CCC[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000566797220 650867417 /nfs/dbraw/zinc/86/74/17/650867417.db2.gz HREOOWGDJOEXRY-HOTGVXAUSA-N 1 0 387.318 1.625 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCc4c3ccc(Cl)c4Cl)CCN2C1=O ZINC000566864989 650870967 /nfs/dbraw/zinc/87/09/67/650870967.db2.gz SFOBMIJLSBCRDW-OWYVNGRQSA-N 1 0 383.279 1.934 20 0 GDADRO COc1c(Br)c(C)sc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566984556 650878453 /nfs/dbraw/zinc/87/84/53/650878453.db2.gz LOASJEROGWUJNR-RKDXNWHRSA-N 1 0 388.287 1.212 20 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ZINC000419767539 645931329 /nfs/dbraw/zinc/93/13/29/645931329.db2.gz AUOJYDDGVRDJJA-UHFFFAOYSA-N 1 0 396.289 1.288 20 0 GDADRO CCn1c(CNC(=O)C(=O)N(C)CC[NH2+]C)nc2cc(Br)ccc21 ZINC000419772564 645931757 /nfs/dbraw/zinc/93/17/57/645931757.db2.gz GOYRNGKQJHNQPI-UHFFFAOYSA-N 1 0 396.289 1.113 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419868755 645932604 /nfs/dbraw/zinc/93/26/04/645932604.db2.gz VQPUHLQPZFNVBW-NSHDSACASA-N 1 0 386.265 1.662 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)C1CC1 ZINC000420072624 645935289 /nfs/dbraw/zinc/93/52/89/645935289.db2.gz ZDSYAEQJEITHBF-CQSZACIVSA-N 1 0 385.295 1.496 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C(=O)N(CCOC)Cc1sccc1Br ZINC000420151495 645936492 /nfs/dbraw/zinc/93/64/92/645936492.db2.gz YBAHMDCNDOEWBK-SNVBAGLBSA-N 1 0 392.319 1.210 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)CC2 ZINC000420189644 645938611 /nfs/dbraw/zinc/93/86/11/645938611.db2.gz GIIIDBJKTWXYQE-SWLSCSKDSA-N 1 0 394.313 1.886 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CC[NH2+][C@H](C)C1 ZINC000420332200 645940397 /nfs/dbraw/zinc/94/03/97/645940397.db2.gz GGYQPNBEVUSMKN-NEPJUHHUSA-N 1 0 388.921 1.211 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000420357823 645941493 /nfs/dbraw/zinc/94/14/93/645941493.db2.gz HVABPCBMEZHDNG-AWEZNQCLSA-N 1 0 397.317 1.482 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000420478380 645944795 /nfs/dbraw/zinc/94/47/95/645944795.db2.gz WUPIFMXEELSQDC-BXKDBHETSA-N 1 0 375.878 1.726 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCc3c2cccc3Br)CCC1 ZINC000421195836 645991044 /nfs/dbraw/zinc/99/10/44/645991044.db2.gz DSCKNFBRBYODHD-UHFFFAOYSA-N 1 0 380.286 1.939 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000421298456 646002823 /nfs/dbraw/zinc/00/28/23/646002823.db2.gz MPQMRLOQQMVPAI-GFCCVEGCSA-N 1 0 387.889 1.235 20 0 GDADRO Fc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)c(I)c1 ZINC000421400248 646008661 /nfs/dbraw/zinc/00/86/61/646008661.db2.gz RQZWCDJVCVVLQG-LLVKDONJSA-N 1 0 387.200 1.912 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000422102324 646039743 /nfs/dbraw/zinc/03/97/43/646039743.db2.gz QVUZKTCJGVAYKW-CQSZACIVSA-N 1 0 394.313 1.708 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422108686 646040835 /nfs/dbraw/zinc/04/08/35/646040835.db2.gz UVHSZUSGEHBKKY-HNNXBMFYSA-N 1 0 382.302 1.960 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1)C1CC1 ZINC000422266850 646053306 /nfs/dbraw/zinc/05/33/06/646053306.db2.gz XBZRPDVQKBVEHM-OAHLLOKOSA-N 1 0 395.301 1.718 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422558695 646079024 /nfs/dbraw/zinc/07/90/24/646079024.db2.gz ZKCDFQCXXXYZSQ-NFAWXSAZSA-N 1 0 388.555 1.701 20 0 GDADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1 ZINC000422923827 646099372 /nfs/dbraw/zinc/09/93/72/646099372.db2.gz SREUYVWRKZVDJJ-XJKSGUPXSA-N 1 0 385.917 1.561 20 0 GDADRO [NH3+]CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000422931857 646100406 /nfs/dbraw/zinc/10/04/06/646100406.db2.gz YFISALSMTVPTHL-UHFFFAOYSA-N 1 0 377.919 1.363 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000422990867 646105640 /nfs/dbraw/zinc/10/56/40/646105640.db2.gz AFNYJHDOOXZTMP-KRWDZBQOSA-N 1 0 380.286 1.762 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000422993291 646106248 /nfs/dbraw/zinc/10/62/48/646106248.db2.gz FGRANGWLOZVOTJ-UKRRQHHQSA-N 1 0 380.286 1.618 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000423001788 646107644 /nfs/dbraw/zinc/10/76/44/646107644.db2.gz ILFBQBLVBXNCSJ-OLZOCXBDSA-N 1 0 398.301 1.482 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000423042100 646110347 /nfs/dbraw/zinc/11/03/47/646110347.db2.gz YOZITOMKUFVQBM-HUUCEWRRSA-N 1 0 395.301 1.831 20 0 GDADRO O=S(=O)(NCCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1)c1ccccc1Cl ZINC000423095080 646112199 /nfs/dbraw/zinc/11/21/99/646112199.db2.gz DDGZIYYSAIIVHV-NVXWUHKLSA-N 1 0 387.933 1.365 20 0 GDADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423120042 646115027 /nfs/dbraw/zinc/11/50/27/646115027.db2.gz FYXCJOIWIQDLLX-ZDUSSCGKSA-N 1 0 382.302 1.995 20 0 GDADRO COc1cc(Br)c(CNC(=O)COC2CC[NH2+]CC2)cc1OC ZINC000423149200 646116568 /nfs/dbraw/zinc/11/65/68/646116568.db2.gz XMPRBIQPRMRHFQ-UHFFFAOYSA-N 1 0 387.274 1.851 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000423180795 646118716 /nfs/dbraw/zinc/11/87/16/646118716.db2.gz OBYYIRDQTWTEDH-ZDUSSCGKSA-N 1 0 388.295 1.525 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C[C@@H](C)[NH2+]1 ZINC000423240227 646121261 /nfs/dbraw/zinc/12/12/61/646121261.db2.gz XEERNWXXVVHYAZ-VXGBXAGGSA-N 1 0 380.286 1.543 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423409878 646124581 /nfs/dbraw/zinc/12/45/81/646124581.db2.gz QWEQAOKJDKFEDG-CYBMUJFWSA-N 1 0 398.301 1.497 20 0 GDADRO Cc1cc(C2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)ccc1Br ZINC000423555480 646129611 /nfs/dbraw/zinc/12/96/11/646129611.db2.gz AUISCWHLKUIARF-UHFFFAOYSA-N 1 0 394.313 1.895 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423567747 646130772 /nfs/dbraw/zinc/13/07/72/646130772.db2.gz QZQLIXHFKYPTBQ-UHFFFAOYSA-N 1 0 382.258 1.751 20 0 GDADRO Cc1cc(C2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)ccc1Br ZINC000423572287 646131499 /nfs/dbraw/zinc/13/14/99/646131499.db2.gz PWDVXMKZVPBNPY-UHFFFAOYSA-N 1 0 382.302 1.881 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Br)CC[C@@H]1[NH3+] ZINC000423569335 646131604 /nfs/dbraw/zinc/13/16/04/646131604.db2.gz FIUUJLBYVXELGM-HZMBPMFUSA-N 1 0 386.265 1.742 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423604854 646136350 /nfs/dbraw/zinc/13/63/50/646136350.db2.gz IZMDSZVZOMROCP-OAHLLOKOSA-N 1 0 382.302 1.660 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000423606917 646136474 /nfs/dbraw/zinc/13/64/74/646136474.db2.gz LWDSYHWKZQFUPD-WFASDCNBSA-N 1 0 396.285 1.169 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)[C@@H](C)C[NH2+]1 ZINC000423627444 646139291 /nfs/dbraw/zinc/13/92/91/646139291.db2.gz IDXBBRPJXZMXMY-BDAKNGLRSA-N 1 0 375.313 1.539 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)c(F)c2)[C@H](C)C[NH2+]1 ZINC000423653725 646139939 /nfs/dbraw/zinc/13/99/39/646139939.db2.gz PMLZAHWPPYZBDB-GHMZBOCLSA-N 1 0 386.265 1.755 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000423662920 646140544 /nfs/dbraw/zinc/14/05/44/646140544.db2.gz FYMOMSMPUCPZKF-UONOGXRCSA-N 1 0 398.301 1.372 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)C1 ZINC000423672785 646141950 /nfs/dbraw/zinc/14/19/50/646141950.db2.gz YYYSWLOSWSDTJG-TZMCWYRMSA-N 1 0 382.302 1.646 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)C[C@@H](C)[NH2+]1 ZINC000423686463 646142583 /nfs/dbraw/zinc/14/25/83/646142583.db2.gz UNGLDKPAWNZWOJ-CHWSQXEVSA-N 1 0 382.302 1.659 20 0 GDADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000423953287 646146268 /nfs/dbraw/zinc/14/62/68/646146268.db2.gz AZLVDWJQQZDWAS-CQSZACIVSA-N 1 0 381.523 1.991 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423978047 646148457 /nfs/dbraw/zinc/14/84/57/646148457.db2.gz YXMXGEDPHHIMKX-SCVCMEIPSA-N 1 0 379.404 1.320 20 0 GDADRO Cc1c(C(=O)NC[C@@H]2C[NH2+]CCO2)cnn1-c1cccc(Br)c1 ZINC000423984112 646148900 /nfs/dbraw/zinc/14/89/00/646148900.db2.gz BMJIQZGIHASUIE-AWEZNQCLSA-N 1 0 379.258 1.661 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424010980 646152768 /nfs/dbraw/zinc/15/27/68/646152768.db2.gz YEOAUWULCXSEON-CYBMUJFWSA-N 1 0 387.241 1.674 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CCCO1 ZINC000424016455 646153184 /nfs/dbraw/zinc/15/31/84/646153184.db2.gz DWGUDJUZLPSDBD-QWHCGFSZSA-N 1 0 396.285 1.378 20 0 GDADRO C[C@@H]1C[C@@H](C)N(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000424050692 646156650 /nfs/dbraw/zinc/15/66/50/646156650.db2.gz FHVGMGOEMKVXEJ-MCIONIFRSA-N 1 0 387.933 1.792 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)c2cc(I)ccc2Cl)CC1 ZINC000424064128 646158305 /nfs/dbraw/zinc/15/83/05/646158305.db2.gz VHSXGHBVKHXCID-UHFFFAOYSA-N 1 0 394.640 1.870 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000424066576 646159091 /nfs/dbraw/zinc/15/90/91/646159091.db2.gz YOWPPZTVZRWDCK-UHFFFAOYSA-N 1 0 394.640 1.870 20 0 GDADRO Cn1nccc1S(=O)(=O)Nc1cc(C(=O)NCC[NH+](C)C)ccc1Cl ZINC000424209772 646164596 /nfs/dbraw/zinc/16/45/96/646164596.db2.gz AVYUXPXLFLSUKB-UHFFFAOYSA-N 1 0 385.877 1.166 20 0 GDADRO O=C1[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2)CCN1C1CCOCC1 ZINC000428785630 646178909 /nfs/dbraw/zinc/17/89/09/646178909.db2.gz QQRKVTSEAMLPEH-HZPDHXFCSA-N 1 0 383.286 1.852 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000432514923 646189122 /nfs/dbraw/zinc/18/91/22/646189122.db2.gz OGZGKFYVEHYILJ-KCJUWKMLSA-N 1 0 384.221 1.895 20 0 GDADRO O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432513208 646189214 /nfs/dbraw/zinc/18/92/14/646189214.db2.gz BAAYXAAFMQVLSJ-JBLDHEPKSA-N 1 0 378.782 1.172 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000432511224 646189219 /nfs/dbraw/zinc/18/92/19/646189219.db2.gz CHGSGFMYYVNASY-HZMBPMFUSA-N 1 0 394.269 1.549 20 0 GDADRO CC[N@H+](CC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000441411514 646258319 /nfs/dbraw/zinc/25/83/19/646258319.db2.gz SSNRHOVPLCVDMN-UHFFFAOYSA-N 1 0 377.869 1.358 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000917527729 660215272 /nfs/dbraw/zinc/21/52/72/660215272.db2.gz NZXAIMACVQITNH-UHFFFAOYSA-N 1 0 378.441 1.802 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cccc(Br)n2)CC1 ZINC000917553818 660215504 /nfs/dbraw/zinc/21/55/04/660215504.db2.gz SQEPNALIVLFJCB-UHFFFAOYSA-N 1 0 392.319 1.358 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[NH+]1CCCCC1 ZINC000917661115 660218930 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OTQDINODXNSICQ-SMDDNHRTSA-N 1 0 377.222 1.345 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000461903241 647503485 /nfs/dbraw/zinc/50/34/85/647503485.db2.gz MKTGXWCHJYJFIC-LBPRGKRZSA-N 1 0 380.388 1.850 20 0 GDADRO CN(CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H](C[NH3+])C1CC1 ZINC000461906059 647503551 /nfs/dbraw/zinc/50/35/51/647503551.db2.gz WPSAFQDCNWKYTJ-OAHLLOKOSA-N 1 0 386.327 1.706 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1 ZINC000462332232 647523486 /nfs/dbraw/zinc/52/34/86/647523486.db2.gz DBPHODWKZWRPTD-LBPRGKRZSA-N 1 0 399.285 1.764 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CSCC(F)(F)F)c1 ZINC000462753638 647543686 /nfs/dbraw/zinc/54/36/86/647543686.db2.gz LXVJNVBIORGKLM-UHFFFAOYSA-N 1 0 399.460 1.761 20 0 GDADRO O=C1NCCN(CC[N@@H+]2CCCOCC2)[C@H]1c1ccccc1Br ZINC000463146450 647551499 /nfs/dbraw/zinc/55/14/99/647551499.db2.gz OLZQJPYJEGXVGX-INIZCTEOSA-N 1 0 382.302 1.644 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H]1c1ncc(Br)cn1 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1.462 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000470107240 647720263 /nfs/dbraw/zinc/72/02/63/647720263.db2.gz YIIJMNYWTHYIIL-GFCCVEGCSA-N 1 0 398.305 1.878 20 0 GDADRO C[NH+]1CCC(NC(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000471641601 647749922 /nfs/dbraw/zinc/74/99/22/647749922.db2.gz FOBUKTLKWOIZES-UHFFFAOYSA-N 1 0 379.404 1.901 20 0 GDADRO CC1(CS(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)CCCCC1 ZINC000475823253 647765908 /nfs/dbraw/zinc/76/59/08/647765908.db2.gz ZXILSACDBIOIDF-UHFFFAOYSA-N 1 0 375.579 1.266 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)c1cc(OC)c(OC)cc1Cl)C[NH+](C)C ZINC000921630326 660316370 /nfs/dbraw/zinc/31/63/70/660316370.db2.gz GRPKEHVSUNEELQ-NSHDSACASA-N 1 0 380.894 1.602 20 0 GDADRO CCO[C@H](CNS(=O)(=O)Cc1cccc(Br)c1)C[NH+](C)C ZINC000921631496 660316744 /nfs/dbraw/zinc/31/67/44/660316744.db2.gz JZWLUNZQNQREAK-CQSZACIVSA-N 1 0 379.320 1.835 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000476315279 647777321 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383.495 1.025 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN(C)[C@@H]2CC[NH2+]C2)c1 ZINC000516066119 648511622 /nfs/dbraw/zinc/51/16/22/648511622.db2.gz SDIDJNHDHOGOHG-GFCCVEGCSA-N 1 0 388.921 1.213 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000516071180 648511630 /nfs/dbraw/zinc/51/16/30/648511630.db2.gz FRUKHPYMYMUKRM-HYVNUMGLSA-N 1 0 387.933 1.671 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000516071182 648511644 /nfs/dbraw/zinc/51/16/44/648511644.db2.gz FRUKHPYMYMUKRM-PVAVHDDUSA-N 1 0 387.933 1.671 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCSC[C@H]3c3nccs3)C[C@@H]21 ZINC000516173971 648516119 /nfs/dbraw/zinc/51/61/19/648516119.db2.gz STABFRKCTPPLCJ-RQJABVFESA-N 1 0 380.539 1.345 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCSC[C@@H]3c3nccs3)C[C@@H]21 ZINC000516173973 648516166 /nfs/dbraw/zinc/51/61/66/648516166.db2.gz STABFRKCTPPLCJ-XJFOESAGSA-N 1 0 380.539 1.345 20 0 GDADRO 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C[NH+](C)C[C@H](NC(=O)CCCCCS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000519166130 648623561 /nfs/dbraw/zinc/62/35/61/648623561.db2.gz SYRTWBBJYKHTCF-HNNXBMFYSA-N 1 0 375.922 1.908 20 0 GDADRO C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)[NH+]1CC(C)C1 ZINC000519639115 648631648 /nfs/dbraw/zinc/63/16/48/648631648.db2.gz BNGBRAPNQNGMLF-NSHDSACASA-N 1 0 394.324 1.728 20 0 GDADRO CC[N@H+](CCNC(=O)CNS(=O)(=O)c1cccs1)CCC(F)(F)F ZINC000519792605 648639663 /nfs/dbraw/zinc/63/96/63/648639663.db2.gz PGMXDORVSCTAMK-UHFFFAOYSA-N 1 0 387.449 1.417 20 0 GDADRO COC(=O)c1cc(NC(=O)C[C@@H]2COCC[NH2+]2)cc(Br)c1F ZINC000520796546 648650170 /nfs/dbraw/zinc/65/01/70/648650170.db2.gz SPBADFZBLTUUSZ-SECBINFHSA-N 1 0 375.194 1.692 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(S(N)(=O)=O)s1)[N@H+](C)Cc1ccccc1 ZINC000521160895 648655246 /nfs/dbraw/zinc/65/52/46/648655246.db2.gz NRYZHKBBLXMWDV-ZDUSSCGKSA-N 1 0 381.523 1.575 20 0 GDADRO CC[NH+](CC)CCCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000521458786 648657230 /nfs/dbraw/zinc/65/72/30/648657230.db2.gz HTICXDWQURJPJN-UHFFFAOYSA-N 1 0 390.937 1.649 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000521868569 648660924 /nfs/dbraw/zinc/66/09/24/648660924.db2.gz DMAXLVPXMZIVMY-NSHDSACASA-N 1 0 386.246 1.093 20 0 GDADRO CCN(C(=O)[C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000522548815 648678228 /nfs/dbraw/zinc/67/82/28/648678228.db2.gz MQICYFRREXAXDX-JYJNAYRXSA-N 1 0 375.579 1.367 20 0 GDADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ncc(Br)cc1F ZINC000527673780 648708727 /nfs/dbraw/zinc/70/87/27/648708727.db2.gz OPBBTOVIJOVIJC-CABZTGNLSA-N 1 0 380.283 1.791 20 0 GDADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ncc(Br)cc1F)CCO2 ZINC000527682715 648709198 /nfs/dbraw/zinc/70/91/98/648709198.db2.gz IRCGGJXBTWACQU-FZMZJTMJSA-N 1 0 393.278 1.809 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000528743167 648727847 /nfs/dbraw/zinc/72/78/47/648727847.db2.gz QZNBGKPKKAMCBX-HOCLYGCPSA-N 1 0 387.933 1.731 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)s1 ZINC000571115000 651065402 /nfs/dbraw/zinc/06/54/02/651065402.db2.gz VUCUBGYSWPCWNF-CYBMUJFWSA-N 1 0 389.543 1.163 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571180506 651068241 /nfs/dbraw/zinc/06/82/41/651068241.db2.gz INSVMOCLCLVZTR-PWSUYJOCSA-N 1 0 397.273 1.542 20 0 GDADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000571481211 651077633 /nfs/dbraw/zinc/07/76/33/651077633.db2.gz VDALDFPMGPTXAE-GJZGRUSLSA-N 1 0 386.539 1.654 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000571514533 651078770 /nfs/dbraw/zinc/07/87/70/651078770.db2.gz VHKYHVMUFBINGK-DFBGVHRSSA-N 1 0 392.297 1.400 20 0 GDADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000571827845 651083957 /nfs/dbraw/zinc/08/39/57/651083957.db2.gz NGCFDCAOJMOHAX-QGZVFWFLSA-N 1 0 395.301 1.638 20 0 GDADRO CC(C)(COc1ncccc1Br)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000571896883 651086389 /nfs/dbraw/zinc/08/63/89/651086389.db2.gz TXAZEVYUMWPLPV-NSHDSACASA-N 1 0 387.278 1.289 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000572136477 651091709 /nfs/dbraw/zinc/09/17/09/651091709.db2.gz ANFGJTVGTKZERS-UHFFFAOYSA-N 1 0 388.295 1.966 20 0 GDADRO CSC1(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC[NH+](C)CC1 ZINC000572291085 651094213 /nfs/dbraw/zinc/09/42/13/651094213.db2.gz ZQPJDFDUPOIWCX-UHFFFAOYSA-N 1 0 386.539 1.954 20 0 GDADRO O=c1ccc(Br)cn1CC[NH2+]C[C@H](O)COCc1ccccc1F ZINC000572394691 651095967 /nfs/dbraw/zinc/09/59/67/651095967.db2.gz POJVMSMIQJIOKJ-HNNXBMFYSA-N 1 0 399.260 1.917 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000572619704 651100553 /nfs/dbraw/zinc/10/05/53/651100553.db2.gz HDXZUMBMRGZYPA-LBPRGKRZSA-N 1 0 384.274 1.141 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)nc1 ZINC000572644850 651101308 /nfs/dbraw/zinc/10/13/08/651101308.db2.gz NFJZUQWBEUNHKG-OAHLLOKOSA-N 1 0 380.857 1.169 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1(c2ccc(Br)cc2)CCC1 ZINC000572722769 651103626 /nfs/dbraw/zinc/10/36/26/651103626.db2.gz ZOCVPABCZATFAE-CQSZACIVSA-N 1 0 380.286 1.813 20 0 GDADRO COCCOC[C@H](O)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000572752652 651104810 /nfs/dbraw/zinc/10/48/10/651104810.db2.gz AWMNWTIXRYIRSU-CABCVRRESA-N 1 0 387.274 1.168 20 0 GDADRO O=C(NC[C@@H]1CCCN(S(=O)(=O)c2sccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000572878634 651461539 /nfs/dbraw/zinc/46/15/39/651461539.db2.gz VEBDJDJLWFEVAG-AAEUAGOBSA-N 1 0 391.946 1.670 20 0 GDADRO C[C@H](CCNc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)[NH+]1CCCCC1 ZINC000573162513 651469446 /nfs/dbraw/zinc/46/94/46/651469446.db2.gz GQKOYYJEKGFQDN-CYBMUJFWSA-N 1 0 389.543 1.414 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2Br)CC[C@H]1[NH3+] ZINC000573206666 651471499 /nfs/dbraw/zinc/47/14/99/651471499.db2.gz IVQPBTYNKOVZTE-NOZJJQNGSA-N 1 0 388.693 1.914 20 0 GDADRO CCN(CC)c1ncc(C[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)s1 ZINC000573975944 651506097 /nfs/dbraw/zinc/50/60/97/651506097.db2.gz IBUWIDGMYGJODG-CQSZACIVSA-N 1 0 389.591 1.740 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000574039206 651511304 /nfs/dbraw/zinc/51/13/04/651511304.db2.gz AQLDETAAPLKJEJ-QWRGUYRKSA-N 1 0 394.273 1.815 20 0 GDADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000574059222 651513443 /nfs/dbraw/zinc/51/34/43/651513443.db2.gz GYGGTWRHIABJRP-NVXWUHKLSA-N 1 0 389.539 1.552 20 0 GDADRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000574074191 651514545 /nfs/dbraw/zinc/51/45/45/651514545.db2.gz WDXHEYBBFNTOGT-VHRBIJSZSA-N 1 0 378.288 1.212 20 0 GDADRO COC(=O)C[C@@](C)([NH2+]C[C@@](C)(O)C(=O)OC)c1ccc(Br)cc1 ZINC000574117648 651516986 /nfs/dbraw/zinc/51/69/86/651516986.db2.gz RKOPUHYJLVDITE-HZPDHXFCSA-N 1 0 388.258 1.741 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000574204680 651522858 /nfs/dbraw/zinc/52/28/58/651522858.db2.gz GBVURFUVTCOZNV-DZGCQCFKSA-N 1 0 385.917 1.513 20 0 GDADRO C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000574279289 651528212 /nfs/dbraw/zinc/52/82/12/651528212.db2.gz VBSISLGYQSTTKZ-VHSXEESVSA-N 1 0 380.297 1.528 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000574324644 651532912 /nfs/dbraw/zinc/53/29/12/651532912.db2.gz YRISODLMBIMYDX-AWEZNQCLSA-N 1 0 375.516 1.024 20 0 GDADRO CN1CCN(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)[C@@H](C[NH3+])C1 ZINC000574549015 651551678 /nfs/dbraw/zinc/55/16/78/651551678.db2.gz IPINAEVXWZLPMB-HZMBPMFUSA-N 1 0 385.281 1.860 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)Cn1nc(-c2ccc(Br)cc2)nc1C ZINC000574651159 651556769 /nfs/dbraw/zinc/55/67/69/651556769.db2.gz IQEDCXWZMGEHFN-OAHLLOKOSA-N 1 0 383.290 1.955 20 0 GDADRO COc1ccc(Br)cc1CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000574659175 651557980 /nfs/dbraw/zinc/55/79/80/651557980.db2.gz YMEREBRQRHLLCJ-QGZVFWFLSA-N 1 0 383.286 1.573 20 0 GDADRO CCS(=O)(=O)N1CCC(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000574819263 651571435 /nfs/dbraw/zinc/57/14/35/651571435.db2.gz AHSFOFLCUGUJNH-MRXNPFEDSA-N 1 0 389.587 1.134 20 0 GDADRO COc1ccc(Br)c(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000575056504 651579809 /nfs/dbraw/zinc/57/98/09/651579809.db2.gz DKSVPFMEKZBWPJ-GFCCVEGCSA-N 1 0 394.273 1.731 20 0 GDADRO CCOC[C@@H](O)C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000575379064 651594494 /nfs/dbraw/zinc/59/44/94/651594494.db2.gz TWKFYEKEZMHVDO-LBPRGKRZSA-N 1 0 378.210 1.217 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H](O)CN2CCOCC2)ccc1I ZINC000575796782 651603835 /nfs/dbraw/zinc/60/38/35/651603835.db2.gz IMSAFBODJAULGY-CQSZACIVSA-N 1 0 390.265 1.382 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N(C)C2CC([NH3+])C2)c(Br)c1 ZINC000575867919 651610407 /nfs/dbraw/zinc/61/04/07/651610407.db2.gz HVZJLQZVDKDPFC-UHFFFAOYSA-N 1 0 391.287 1.736 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000575982016 651615246 /nfs/dbraw/zinc/61/52/46/651615246.db2.gz CBSJOXYCUFFFSJ-STQMWFEESA-N 1 0 395.319 1.106 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000576006738 651617548 /nfs/dbraw/zinc/61/75/48/651617548.db2.gz OSOMRBHEXIINSR-CYBMUJFWSA-N 1 0 380.432 1.622 20 0 GDADRO CSC1(CNS(=O)(=O)c2cnn(C3CCOCC3)c2)CC[NH+](C)CC1 ZINC000576196893 651642810 /nfs/dbraw/zinc/64/28/10/651642810.db2.gz LYHOMZNVGNBPPE-UHFFFAOYSA-N 1 0 388.559 1.340 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000576210349 651643501 /nfs/dbraw/zinc/64/35/01/651643501.db2.gz HBSFHEKIDWVMKF-CYBMUJFWSA-N 1 0 397.321 1.551 20 0 GDADRO Cc1cccc(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1Cl ZINC000576213934 651643779 /nfs/dbraw/zinc/64/37/79/651643779.db2.gz UZGUFKCFIOSFIU-UHFFFAOYSA-N 1 0 387.933 1.919 20 0 GDADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)C[C@@H](C)C1 ZINC000576619649 651677265 /nfs/dbraw/zinc/67/72/65/651677265.db2.gz BJRLWMQLKVHQRW-OUCADQQQSA-N 1 0 386.543 1.267 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)COc2ccc(C)cc2)s1 ZINC000576630276 651677820 /nfs/dbraw/zinc/67/78/20/651677820.db2.gz LKLPBMLSSPUNEK-OAHLLOKOSA-N 1 0 384.523 1.673 20 0 GDADRO O=C(NCCNc1cccc(Br)c1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000576633896 651678263 /nfs/dbraw/zinc/67/82/63/651678263.db2.gz QWEIEQPWMZVOCX-AWEZNQCLSA-N 1 0 393.289 1.635 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000576864049 651690920 /nfs/dbraw/zinc/69/09/20/651690920.db2.gz WFHCWKQMSMUKDA-OCCSQVGLSA-N 1 0 387.527 1.016 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cn3cc(Br)ccc3=O)CC2)C1 ZINC000576988106 651699723 /nfs/dbraw/zinc/69/97/23/651699723.db2.gz CYCPGCYGDQWOMM-HUUCEWRRSA-N 1 0 398.301 1.356 20 0 GDADRO COc1c(Br)c(C)sc1C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000577242647 651718544 /nfs/dbraw/zinc/71/85/44/651718544.db2.gz JNZAUSCLIYAXAL-MRVPVSSYSA-N 1 0 392.319 1.624 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577851953 651758514 /nfs/dbraw/zinc/75/85/14/651758514.db2.gz QPKRFVSNBDBVSZ-QGZVFWFLSA-N 1 0 380.286 1.781 20 0 GDADRO COCn1nccc1S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000577856124 651758934 /nfs/dbraw/zinc/75/89/34/651758934.db2.gz NCEBXLHOBZOWOS-CQSZACIVSA-N 1 0 386.905 1.764 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000577871574 651760669 /nfs/dbraw/zinc/76/06/69/651760669.db2.gz KZAINUOXWUUYDC-CMPLNLGQSA-N 1 0 379.404 1.322 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577888599 651762366 /nfs/dbraw/zinc/76/23/66/651762366.db2.gz ZBZCCPIGEFVYKZ-JOYOIKCWSA-N 1 0 385.237 1.672 20 0 GDADRO CN(CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)C(=O)c1ccc(Br)o1 ZINC000578321096 651789357 /nfs/dbraw/zinc/78/93/57/651789357.db2.gz UOHSJMSRJUQIPR-ZDUSSCGKSA-N 1 0 398.301 1.962 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCCC[C@H]1CCC[NH2+]1 ZINC000578324387 651789727 /nfs/dbraw/zinc/78/97/27/651789727.db2.gz HPUSBMHQSQRZIH-LLVKDONJSA-N 1 0 394.324 1.920 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000578357473 651792684 /nfs/dbraw/zinc/79/26/84/651792684.db2.gz BYMUKMWZTHBZDU-IUCAKERBSA-N 1 0 379.276 1.624 20 0 GDADRO CN(CCC[NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000578485833 651794228 /nfs/dbraw/zinc/79/42/28/651794228.db2.gz GPRHGGNPZHNWKU-UHFFFAOYSA-N 1 0 390.893 1.173 20 0 GDADRO CN1CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)[C@H](C[NH3+])C1 ZINC000578501702 651795335 /nfs/dbraw/zinc/79/53/35/651795335.db2.gz STJQSMQAHNTSNQ-GFCCVEGCSA-N 1 0 394.277 1.136 20 0 GDADRO O=C(NCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000578618759 651800738 /nfs/dbraw/zinc/80/07/38/651800738.db2.gz QGJKJHVJVUAYTF-ZDUSSCGKSA-N 1 0 375.238 1.444 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000578787093 651814515 /nfs/dbraw/zinc/81/45/15/651814515.db2.gz BUYLFZYCFJQCBT-CQSZACIVSA-N 1 0 393.278 1.971 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCC[NH2+]C3)C2=O)ccc1Br ZINC000578879876 651821322 /nfs/dbraw/zinc/82/13/22/651821322.db2.gz QWHFJKLIVHOERC-DOMZBBRYSA-N 1 0 380.286 1.979 20 0 GDADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1n[nH]cc1Br ZINC000578965899 651828279 /nfs/dbraw/zinc/82/82/79/651828279.db2.gz LJAVFFIMXLVEND-UHFFFAOYSA-N 1 0 380.246 1.537 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)C1 ZINC000578981053 651829513 /nfs/dbraw/zinc/82/95/13/651829513.db2.gz DMJBIKBQJGQCJV-GMTAPVOTSA-N 1 0 386.315 1.680 20 0 GDADRO [NH3+]CCC1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000579019303 651833248 /nfs/dbraw/zinc/83/32/48/651833248.db2.gz GCUGWCHVUINERM-UHFFFAOYSA-N 1 0 394.324 1.859 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000579109226 651838913 /nfs/dbraw/zinc/83/89/13/651838913.db2.gz VQHZALGDFHCGEP-DOMZBBRYSA-N 1 0 376.425 1.805 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc(Br)c1C ZINC000579229792 651843152 /nfs/dbraw/zinc/84/31/52/651843152.db2.gz WYOBLUYUQYOLNP-VIFPVBQESA-N 1 0 393.303 1.902 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000579462850 651860775 /nfs/dbraw/zinc/86/07/75/651860775.db2.gz BDNRRPSESQCTFC-LLVKDONJSA-N 1 0 386.265 1.315 20 0 GDADRO CC[N@H+](C)C[C@@H](O)Cn1nnc(-c2ccccc2I)n1 ZINC000579978279 651890525 /nfs/dbraw/zinc/89/05/25/651890525.db2.gz SDWQVXCKKYMIIL-SNVBAGLBSA-N 1 0 387.225 1.257 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3cccc(Br)c3Cl)CCN2C1=O ZINC000580096862 651896833 /nfs/dbraw/zinc/89/68/33/651896833.db2.gz ROFPJAFZRUOYCX-WCBMZHEXSA-N 1 0 387.665 1.878 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000580172675 651901646 /nfs/dbraw/zinc/90/16/46/651901646.db2.gz PNHXTNTXYNNPBI-GOEBONIOSA-N 1 0 396.333 1.231 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(C)s1 ZINC000580300529 651910281 /nfs/dbraw/zinc/91/02/81/651910281.db2.gz YDTHXBBMSYAQLQ-AWEZNQCLSA-N 1 0 386.543 1.179 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000580302405 651910296 /nfs/dbraw/zinc/91/02/96/651910296.db2.gz ZZSLIBUKAAFCRZ-HNNXBMFYSA-N 1 0 395.301 1.623 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000580420217 651915322 /nfs/dbraw/zinc/91/53/22/651915322.db2.gz DRHCGRYRUJNSMW-INIZCTEOSA-N 1 0 386.543 1.120 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000580421506 651915378 /nfs/dbraw/zinc/91/53/78/651915378.db2.gz PEURUQRGABZLPD-GHMZBOCLSA-N 1 0 388.331 1.987 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000580540965 651923437 /nfs/dbraw/zinc/92/34/37/651923437.db2.gz XWFBDSWOFGHBKT-INIZCTEOSA-N 1 0 394.313 1.805 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000580549586 651924681 /nfs/dbraw/zinc/92/46/81/651924681.db2.gz UPJKWMIHLLBKOI-MWLCHTKSSA-N 1 0 380.242 1.383 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(Cc3cc4c(cc3Br)OCCCO4)CCN2C1=O ZINC000580660545 651932591 /nfs/dbraw/zinc/93/25/91/651932591.db2.gz RAIIXZSYBJDPMC-GXTWGEPZSA-N 1 0 396.285 1.354 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(F)cc3Cl)CCN2C1=O ZINC000580844289 651943361 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CN(C[C@@H](O)C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301722 651987447 /nfs/dbraw/zinc/98/74/47/651987447.db2.gz RPWLEXJVYHLSSZ-WBMJQRKESA-N 1 0 389.309 1.784 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000582487817 651999861 /nfs/dbraw/zinc/99/98/61/651999861.db2.gz DJLOYYNVBWANLH-LSDHHAIUSA-N 1 0 391.603 1.284 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CCS1(=O)=O ZINC000582523346 652002410 /nfs/dbraw/zinc/00/24/10/652002410.db2.gz BXLRXYNFGJNXAG-HNNXBMFYSA-N 1 0 382.551 1.885 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN(C)Cc1cc(Br)ccc1OC ZINC000582733985 652011557 /nfs/dbraw/zinc/01/15/57/652011557.db2.gz PBSZJZRLHJDOFD-OAHLLOKOSA-N 1 0 375.307 1.829 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccc(Br)cc21 ZINC000582773211 652013721 /nfs/dbraw/zinc/01/37/21/652013721.db2.gz CRGMHGXNCNWAGW-CHWSQXEVSA-N 1 0 378.270 1.406 20 0 GDADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000582775664 652014434 /nfs/dbraw/zinc/01/44/34/652014434.db2.gz SJHHVWHHNMUBQA-CZUORRHYSA-N 1 0 378.881 1.897 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000583031747 652023714 /nfs/dbraw/zinc/02/37/14/652023714.db2.gz BKUGRBFILJIKOX-ZIAGYGMSSA-N 1 0 389.543 1.217 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000583113128 652026323 /nfs/dbraw/zinc/02/63/23/652026323.db2.gz XGHPHHYSVFVRCF-OAHLLOKOSA-N 1 0 376.906 1.876 20 0 GDADRO O=C(NCc1cc(Br)ccc1Br)[C@H]1C[C@H](O)C[NH2+]1 ZINC000583935469 652050642 /nfs/dbraw/zinc/05/06/42/652050642.db2.gz RGFCOVPTYISKLR-GXSJLCMTSA-N 1 0 378.064 1.551 20 0 GDADRO NS(=O)(=O)c1cc(Cl)cc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000583997814 652051951 /nfs/dbraw/zinc/05/19/51/652051951.db2.gz VEOUSBOKLVXROI-AWEZNQCLSA-N 1 0 387.933 1.532 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(CCOc3ccc(Cl)cc3Br)CCN2C1=O ZINC000584243367 652063788 /nfs/dbraw/zinc/06/37/88/652063788.db2.gz YAURWCBSOJXOQM-YPMHNXCESA-N 1 0 388.693 1.725 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000584395146 652067732 /nfs/dbraw/zinc/06/77/32/652067732.db2.gz GHQXWTALORFOLN-CMPLNLGQSA-N 1 0 375.288 1.561 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000586766543 652092055 /nfs/dbraw/zinc/09/20/55/652092055.db2.gz KIKSALLOGDKEAU-UHFFFAOYSA-N 1 0 380.857 1.345 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)C(=O)OC)[C@H](C)C1 ZINC000588890873 652104595 /nfs/dbraw/zinc/10/45/95/652104595.db2.gz GGHPRCJJCYUFPH-CABCVRRESA-N 1 0 378.535 1.242 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)cn1C ZINC000589295220 652111018 /nfs/dbraw/zinc/11/10/18/652111018.db2.gz GLXYAWOSVKOCQF-UHFFFAOYSA-N 1 0 389.543 1.308 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)cc1C ZINC000589295573 652111067 /nfs/dbraw/zinc/11/10/67/652111067.db2.gz PIVNBCGEPMHJDV-UHFFFAOYSA-N 1 0 386.539 1.887 20 0 GDADRO CS(=O)(=O)Nc1ccc(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000589638806 652116910 /nfs/dbraw/zinc/11/69/10/652116910.db2.gz FJDWNDZPSMZCCF-UHFFFAOYSA-N 1 0 383.495 1.719 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cccc(I)c3)[C@@H]2C1 ZINC000589930105 652121926 /nfs/dbraw/zinc/12/19/26/652121926.db2.gz SOALSDSODORBDR-ZWNOBZJWSA-N 1 0 392.262 1.616 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000591290454 652158838 /nfs/dbraw/zinc/15/88/38/652158838.db2.gz QJEJHVCUJSZMEU-UHFFFAOYSA-N 1 0 398.257 1.290 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NCC[NH2+]C2CC2)c(C)cc1Br ZINC000591294811 652159226 /nfs/dbraw/zinc/15/92/26/652159226.db2.gz ZTUGRGJOZKSKGK-UHFFFAOYSA-N 1 0 398.257 1.351 20 0 GDADRO O=C(Nc1ccncc1I)N1CCC2(CC[NH2+]C2)CC1 ZINC000591297297 652159827 /nfs/dbraw/zinc/15/98/27/652159827.db2.gz JOLCQZJBNRTWLZ-UHFFFAOYSA-N 1 0 386.237 1.716 20 0 GDADRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(Cl)cc1I ZINC000592391420 652188765 /nfs/dbraw/zinc/18/87/65/652188765.db2.gz GSDIHPUPPOBNBQ-QMMMGPOBSA-N 1 0 388.658 1.960 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CCC[NH3+])c(Br)c1 ZINC000592390712 652188841 /nfs/dbraw/zinc/18/88/41/652188841.db2.gz JCADSBSWWQLVCV-VIFPVBQESA-N 1 0 379.276 1.641 20 0 GDADRO O=C(COc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000592408124 652189641 /nfs/dbraw/zinc/18/96/41/652189641.db2.gz FUGNGKVTFLGHQL-CVEARBPZSA-N 1 0 383.286 1.886 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000592455056 652192452 /nfs/dbraw/zinc/19/24/52/652192452.db2.gz BIMSOKVEPFCPCX-OCCSQVGLSA-N 1 0 389.518 1.094 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCOc1ccccc1Br ZINC000592550456 652194393 /nfs/dbraw/zinc/19/43/93/652194393.db2.gz GNJRFQMTAJOMLV-ZDUSSCGKSA-N 1 0 385.258 1.582 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCc1cc(Br)cs1 ZINC000592556305 652195585 /nfs/dbraw/zinc/19/55/85/652195585.db2.gz SWMVAVIALFVGSM-GFCCVEGCSA-N 1 0 375.288 1.807 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593733330 652245808 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377.869 1.361 20 0 GDADRO [NH3+]CCOCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000645857158 653607623 /nfs/dbraw/zinc/60/76/23/653607623.db2.gz QPSBFBVSKANFKU-UHFFFAOYSA-N 1 0 384.274 1.602 20 0 GDADRO COc1ccc(Br)cc1C1([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000645974499 653608221 /nfs/dbraw/zinc/60/82/21/653608221.db2.gz DGGDJEDNQDPSNV-CQSZACIVSA-N 1 0 385.302 1.730 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCS1(=O)=O ZINC000646060678 653608760 /nfs/dbraw/zinc/60/87/60/653608760.db2.gz YVLXBNCKJKMWJZ-JHJVBQTASA-N 1 0 384.464 1.931 20 0 GDADRO C[C@@]([NH3+])(C(=O)NC[C@H](CO)Cc1cccnc1)c1ccc(Br)cc1 ZINC000646555350 653610712 /nfs/dbraw/zinc/61/07/12/653610712.db2.gz FVBPYROZBVUUIY-KDOFPFPSSA-N 1 0 392.297 1.985 20 0 GDADRO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000646603474 653611445 /nfs/dbraw/zinc/61/14/45/653611445.db2.gz NCAFACMWAWRTGT-DGCLKSJQSA-N 1 0 383.495 1.240 20 0 GDADRO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 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380.297 1.658 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000648122140 653639338 /nfs/dbraw/zinc/63/93/38/653639338.db2.gz MFAQUYOSMDZRTQ-ZJUUUORDSA-N 1 0 380.297 1.658 20 0 GDADRO O=C(CNS(=O)(=O)c1ccccc1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000648177403 653640685 /nfs/dbraw/zinc/64/06/85/653640685.db2.gz YKKXFBKEMMCHAP-UHFFFAOYSA-N 1 0 380.495 1.527 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000648189480 653640873 /nfs/dbraw/zinc/64/08/73/653640873.db2.gz YRNPCOBQZJDFLM-YUMQZZPRSA-N 1 0 384.321 1.031 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC000648769012 653654678 /nfs/dbraw/zinc/65/46/78/653654678.db2.gz BSUWKPRCLIKSHT-UKRRQHHQSA-N 1 0 387.571 1.778 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000648778566 653655101 /nfs/dbraw/zinc/65/51/01/653655101.db2.gz DOUGSIBGMKTHSG-LBPRGKRZSA-N 1 0 380.290 1.311 20 0 GDADRO CN1CC[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)S1(=O)=O ZINC000648787736 653655601 /nfs/dbraw/zinc/65/56/01/653655601.db2.gz BCELJTCPEJXHBJ-AWEZNQCLSA-N 1 0 375.878 1.253 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000648926806 653660297 /nfs/dbraw/zinc/66/02/97/653660297.db2.gz UNWUJXYGKDBAGF-UHFFFAOYSA-N 1 0 382.313 1.728 20 0 GDADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)c1 ZINC000649422579 653667410 /nfs/dbraw/zinc/66/74/10/653667410.db2.gz YERMKHDIIMRQAR-UHFFFAOYSA-N 1 0 381.420 1.240 20 0 GDADRO C[NH+](C)CCN1CCN(Cc2c(F)ccc(Br)c2F)CC1=O ZINC000649684908 653671779 /nfs/dbraw/zinc/67/17/79/653671779.db2.gz HICKMXNLQFMQOG-UHFFFAOYSA-N 1 0 376.245 1.933 20 0 GDADRO C[NH+](C)CCN1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1=O ZINC000649688750 653672101 /nfs/dbraw/zinc/67/21/01/653672101.db2.gz MSFLVSPXHVCFOZ-AWEZNQCLSA-N 1 0 390.311 1.439 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)NC[C@H](C)[NH+](C)C)c(C)c1NS(C)(=O)=O ZINC000650229469 653688352 /nfs/dbraw/zinc/68/83/52/653688352.db2.gz GDHDQNBEYDHOQI-LBPRGKRZSA-N 1 0 377.532 1.212 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@H]1CCC[N@H+]1CCCO ZINC000650585255 653697466 /nfs/dbraw/zinc/69/74/66/653697466.db2.gz REOWXSRNBHJOKZ-CYBMUJFWSA-N 1 0 388.295 1.686 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)NCc2ccccc2Br)CC1=O ZINC000650786313 653699473 /nfs/dbraw/zinc/69/94/73/653699473.db2.gz OBZDGUDPOBQLNL-UHFFFAOYSA-N 1 0 383.290 1.365 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)N1CCCOCC1 ZINC000651536872 653830153 /nfs/dbraw/zinc/83/01/53/653830153.db2.gz LUOMLEPCSCRNDO-UHFFFAOYSA-N 1 0 377.457 1.296 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)[C@H](C)C1 ZINC000651576645 653833890 /nfs/dbraw/zinc/83/38/90/653833890.db2.gz MXZPRMWUTRYRBB-CXAGYDPISA-N 1 0 386.539 1.466 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1ncccc1SC)[C@@H]1CCS(=O)(=O)C1 ZINC000651581518 653834526 /nfs/dbraw/zinc/83/45/26/653834526.db2.gz VJBOTKCDGDBTFU-CQSZACIVSA-N 1 0 385.555 1.775 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000651769630 653854881 /nfs/dbraw/zinc/85/48/81/653854881.db2.gz OSRNKICIMABTCO-UHFFFAOYSA-N 1 0 390.571 1.963 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1=O ZINC000651792742 653856732 /nfs/dbraw/zinc/85/67/32/653856732.db2.gz FCVOWMSPQUWLDJ-UHFFFAOYSA-N 1 0 394.324 1.529 20 0 GDADRO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000651926196 653871765 /nfs/dbraw/zinc/87/17/65/653871765.db2.gz JDEIVEXKLOUONJ-UHFFFAOYSA-N 1 0 384.893 1.627 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000652636717 653894699 /nfs/dbraw/zinc/89/46/99/653894699.db2.gz WMWCDKUOBGIGAW-NOZJJQNGSA-N 1 0 388.237 1.349 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)NCc2ccc(Br)cc2Cl)CC1 ZINC000652676671 653896407 /nfs/dbraw/zinc/89/64/07/653896407.db2.gz DPXKUBQIQFKAQQ-UHFFFAOYSA-N 1 0 388.693 1.964 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000653077596 653905343 /nfs/dbraw/zinc/90/53/43/653905343.db2.gz FDYMKACJAJINSF-HNNXBMFYSA-N 1 0 384.318 1.850 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCC[NH2+]CC2)s1 ZINC000653087250 653906031 /nfs/dbraw/zinc/90/60/31/653906031.db2.gz PXJXEYVZUZKHFU-CQSZACIVSA-N 1 0 387.571 1.827 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH3+])C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000653444819 653913438 /nfs/dbraw/zinc/91/34/38/653913438.db2.gz QAXXXOUMERCKMH-FOGDFJRCSA-N 1 0 394.269 1.772 20 0 GDADRO COCC[N@H+](CCC(=O)N1CCc2sccc2C1)C[C@@H](O)C(F)(F)F ZINC000653790034 653922368 /nfs/dbraw/zinc/92/23/68/653922368.db2.gz GLYDUMMAZQTCFZ-CQSZACIVSA-N 1 0 380.432 1.895 20 0 GDADRO O=C1[C@@H](N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCN1c1cccc(Br)c1 ZINC000653829813 653924001 /nfs/dbraw/zinc/92/40/01/653924001.db2.gz ZBSJLDHGKLLWSK-XHSDSOJGSA-N 1 0 380.286 1.305 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000654365184 653934542 /nfs/dbraw/zinc/93/45/42/653934542.db2.gz XJYGUZFHDQTGSG-XBXGTLAGSA-N 1 0 388.921 1.258 20 0 GDADRO CO[C@@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1Br ZINC000654755649 653944206 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COc1ccc(Cl)cc1NC(=O)CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655918428 653993805 /nfs/dbraw/zinc/99/38/05/653993805.db2.gz AUKYTXBUGXQPOG-LLVKDONJSA-N 1 0 382.770 1.866 20 0 GDADRO CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000655917290 653993834 /nfs/dbraw/zinc/99/38/34/653993834.db2.gz OTRTXGWEHBRKQM-RYUDHWBXSA-N 1 0 378.782 1.976 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)C(F)(F)F ZINC000655924776 653994480 /nfs/dbraw/zinc/99/44/80/653994480.db2.gz QECDMADDAMZTBQ-ZCFIWIBFSA-N 1 0 392.329 1.278 20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000655951391 653995700 /nfs/dbraw/zinc/99/57/00/653995700.db2.gz UESFIJFKFLCUAR-BXUZGUMPSA-N 1 0 377.304 1.635 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C(F)(F)F ZINC000655957706 653996338 /nfs/dbraw/zinc/99/63/38/653996338.db2.gz DAOFAMCMTXMJML-MRVPVSSYSA-N 1 0 375.681 1.886 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNc2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000656211930 654011253 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C[C@@H](CC(F)(F)F)CS(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000656894881 654066938 /nfs/dbraw/zinc/06/69/38/654066938.db2.gz OPQNYINIJKUMJP-ZDUSSCGKSA-N 1 0 385.452 1.145 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CCC[C@@H]([NH+](C)C)CC3)cc2C1 ZINC000656971310 654081728 /nfs/dbraw/zinc/08/17/28/654081728.db2.gz DAPKJXCNVXJYIL-OAHLLOKOSA-N 1 0 385.555 1.758 20 0 GDADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000656995037 654090901 /nfs/dbraw/zinc/09/09/01/654090901.db2.gz XYBHVQZLVRVCFV-ROUUACIJSA-N 1 0 376.563 1.956 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000657071001 654107277 /nfs/dbraw/zinc/10/72/77/654107277.db2.gz FCPZWUSTZNCGQN-LBPRGKRZSA-N 1 0 382.452 1.651 20 0 GDADRO Cc1cc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)sc1Br ZINC000657090803 654107869 /nfs/dbraw/zinc/10/78/69/654107869.db2.gz HHLLHGKVELHTBG-UHFFFAOYSA-N 1 0 398.392 1.981 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCNC1=O ZINC000657276933 654148713 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GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000658373908 654186305 /nfs/dbraw/zinc/18/63/05/654186305.db2.gz HOZSITUAWCRSQC-SKDRFNHKSA-N 1 0 393.278 1.969 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)CCc1ccccc1Cl ZINC000658377181 654186599 /nfs/dbraw/zinc/18/65/99/654186599.db2.gz XVVRIYDHIPCHPS-OAHLLOKOSA-N 1 0 387.933 1.532 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc2C1 ZINC000658382875 654188059 /nfs/dbraw/zinc/18/80/59/654188059.db2.gz ZCLSWDONDGTBOV-JMSVASOKSA-N 1 0 385.555 1.647 20 0 GDADRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000658389083 654188815 /nfs/dbraw/zinc/18/88/15/654188815.db2.gz GZRFXEXPMHEWKA-UHFFFAOYSA-N 1 0 375.560 1.811 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000658568728 654201508 /nfs/dbraw/zinc/20/15/08/654201508.db2.gz RYCDOZUKRSKFEC-UHFFFAOYSA-N 1 0 389.283 1.410 20 0 GDADRO O=C(Nc1ccccc1Br)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658809105 654206283 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Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659427410 654226593 /nfs/dbraw/zinc/22/65/93/654226593.db2.gz NOSPXGULINNNOE-UHFFFAOYSA-N 1 0 381.274 1.829 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)NCC(=O)N1CC[NH2+]CC1)C2 ZINC000659508861 654227812 /nfs/dbraw/zinc/22/78/12/654227812.db2.gz SEQZHWDSQACWRB-UHFFFAOYSA-N 1 0 381.274 1.215 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H]1C(F)(F)F ZINC000659519057 654228229 /nfs/dbraw/zinc/22/82/29/654228229.db2.gz CWPLEQHXGTZCIZ-JHJVBQTASA-N 1 0 379.404 1.303 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCNC(=O)c2ccc(Br)cn2)C1 ZINC000659538568 654228853 /nfs/dbraw/zinc/22/88/53/654228853.db2.gz OURAISGHNCVRCT-NWDGAFQWSA-N 1 0 384.278 1.143 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCNC(=O)c2ccc(Br)cn2)C1 ZINC000659555224 654229432 /nfs/dbraw/zinc/22/94/32/654229432.db2.gz PEHRBMYWWRKFBX-CMPLNLGQSA-N 1 0 384.278 1.001 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000659622559 654230232 /nfs/dbraw/zinc/23/02/32/654230232.db2.gz PSBLJAXDSPXPPB-SNVBAGLBSA-N 1 0 380.440 1.762 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000659643310 654231326 /nfs/dbraw/zinc/23/13/26/654231326.db2.gz QMGFIOJNITUZJW-DGCLKSJQSA-N 1 0 388.306 1.516 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000659643278 654231413 /nfs/dbraw/zinc/23/14/13/654231413.db2.gz PUPPCDRBLRDPPC-WDEREUQCSA-N 1 0 376.270 1.646 20 0 GDADRO CC(C)(CCS(=O)(=O)NCC1CC[NH+](CC2CC2)CC1)S(C)(=O)=O ZINC000660150626 654241082 /nfs/dbraw/zinc/24/10/82/654241082.db2.gz RKVLPVSHECWGFV-UHFFFAOYSA-N 1 0 380.576 1.241 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000660151652 654241520 /nfs/dbraw/zinc/24/15/20/654241520.db2.gz VBKIHHRZCKPOKZ-GFCCVEGCSA-N 1 0 376.910 1.337 20 0 GDADRO CN(CCCNC(=O)C[N@H+](Cc1ccsc1)C(C)(C)C)S(C)(=O)=O ZINC000661135903 654263738 /nfs/dbraw/zinc/26/37/38/654263738.db2.gz LSJWDMBBOHODHD-UHFFFAOYSA-N 1 0 375.560 1.746 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN1CCN(c2ccc(Br)cc2)CC1 ZINC000661576869 654276401 /nfs/dbraw/zinc/27/64/01/654276401.db2.gz QUNWTFJGPTYUON-KRWDZBQOSA-N 1 0 386.334 1.510 20 0 GDADRO O=C1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Br)cc3)CC[C@H]2N1 ZINC000661601647 654277729 /nfs/dbraw/zinc/27/77/29/654277729.db2.gz DIGNYILMTAHPTE-IVMMDQJWSA-N 1 0 383.286 1.789 20 0 GDADRO O=C(CC[NH+]1CCC(O)(CO)CC1)Nc1ccc(Br)cc1F ZINC000661617945 654278270 /nfs/dbraw/zinc/27/82/70/654278270.db2.gz PIXDUXMNQNJCOU-UHFFFAOYSA-N 1 0 375.238 1.736 20 0 GDADRO [NH3+]CCN(Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C[C@H](O)CO ZINC000662287985 654291980 /nfs/dbraw/zinc/29/19/80/654291980.db2.gz LLBGSHWYJXRZKK-AWEZNQCLSA-N 1 0 380.901 1.830 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](N)c3ccccc3Br)CC2)C1 ZINC000662461892 654294245 /nfs/dbraw/zinc/29/42/45/654294245.db2.gz FKATZLKZDQUCMB-YOEHRIQHSA-N 1 0 395.345 1.687 20 0 GDADRO C[C@@]([NH3+])(C(=O)N1CC[C@H](Cn2ccnn2)C1)c1ccc(Br)cc1 ZINC000662619376 654297902 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COc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000672005701 654548671 /nfs/dbraw/zinc/54/86/71/654548671.db2.gz IGESWTRLIBTJDF-AWEZNQCLSA-N 1 0 398.301 1.627 20 0 GDADRO CC[NH+](CC)CCOC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000772046070 654554729 /nfs/dbraw/zinc/55/47/29/654554729.db2.gz CXYVLXAPVAKAST-UHFFFAOYSA-N 1 0 392.568 1.984 20 0 GDADRO NC(=O)NC(=O)OCCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000772201972 654556999 /nfs/dbraw/zinc/55/69/99/654556999.db2.gz ZCFCNPVYVPCQBA-UHFFFAOYSA-N 1 0 399.289 1.762 20 0 GDADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000735591039 654566694 /nfs/dbraw/zinc/56/66/94/654566694.db2.gz PYWNADLQAQZNTE-UHFFFAOYSA-N 1 0 398.257 1.371 20 0 GDADRO O=C(CCOc1ccccc1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673516293 654575704 /nfs/dbraw/zinc/57/57/04/654575704.db2.gz HAKKOYRCOPPBRJ-ZIAGYGMSSA-N 1 0 383.286 1.886 20 0 GDADRO COc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)sc1Br ZINC000673516564 654575831 /nfs/dbraw/zinc/57/58/31/654575831.db2.gz 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GDADRO CS(=O)(=O)N1CCN(CC[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000683705522 654783558 /nfs/dbraw/zinc/78/35/58/654783558.db2.gz YDIYOYVURAGSQE-UHFFFAOYSA-N 1 0 377.913 1.579 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000683863186 654786488 /nfs/dbraw/zinc/78/64/88/654786488.db2.gz MAUZKFOTSVUSBY-SNVBAGLBSA-N 1 0 381.889 1.951 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC(=O)N(c3cccc(Br)c3)C1)C2 ZINC000683908092 654787145 /nfs/dbraw/zinc/78/71/45/654787145.db2.gz JHTICTNCKMOFQE-CYBMUJFWSA-N 1 0 392.297 1.966 20 0 GDADRO COC[C@@H](C)NC(=S)N(CC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000747760141 654790846 /nfs/dbraw/zinc/79/08/46/654790846.db2.gz BRUUORISFKSEAZ-HZPDHXFCSA-N 1 0 393.619 1.504 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000684173977 654793397 /nfs/dbraw/zinc/79/33/97/654793397.db2.gz BAZDKUDORGIFNS-QGZVFWFLSA-N 1 0 388.295 1.638 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000684173976 654793527 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CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000749353593 654830029 /nfs/dbraw/zinc/83/00/29/654830029.db2.gz ZIYVUAOXTPYLHY-NSHDSACASA-N 1 0 379.262 1.496 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749380060 654831265 /nfs/dbraw/zinc/83/12/65/654831265.db2.gz HLNKEZQXTCQQKI-UHFFFAOYSA-N 1 0 397.277 1.075 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000749384721 654831635 /nfs/dbraw/zinc/83/16/35/654831635.db2.gz AFJDUOFHYMUUGS-NSHDSACASA-N 1 0 379.262 1.496 20 0 GDADRO C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc(Br)cn3)nn2)CC[N@@H+]1C ZINC000749400777 654832805 /nfs/dbraw/zinc/83/28/05/654832805.db2.gz QDXGBMSPNQHGIF-CMPLNLGQSA-N 1 0 379.262 1.637 20 0 GDADRO Cn1ncc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1I ZINC000706273345 654833755 /nfs/dbraw/zinc/83/37/55/654833755.db2.gz ZVXPSBDXGYFXOS-OKILXGFUSA-N 1 0 388.253 1.439 20 0 GDADRO Cn1ncc(C(=O)N2CCC(C)([NH+](C)C)CC2)c1I ZINC000709929896 654834840 /nfs/dbraw/zinc/83/48/40/654834840.db2.gz CQZIPEOEQQPPHM-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO CO[C@]1(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CCS(=O)(=O)C1 ZINC000721257879 654838380 /nfs/dbraw/zinc/83/83/80/654838380.db2.gz XMPVVKCVLSNFCO-IGCXYCKISA-N 1 0 376.519 1.472 20 0 GDADRO COC[C@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)C ZINC000721743673 654839143 /nfs/dbraw/zinc/83/91/43/654839143.db2.gz CWQDTBMRBDCYDJ-CABCVRRESA-N 1 0 378.535 1.671 20 0 GDADRO CN(C(=S)NCCC[NH+](C)C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000749734679 654839233 /nfs/dbraw/zinc/83/92/33/654839233.db2.gz DPZOGYQRVWJKCQ-CYBMUJFWSA-N 1 0 375.947 1.926 20 0 GDADRO COC[C@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CC1 ZINC000721746699 654839371 /nfs/dbraw/zinc/83/93/71/654839371.db2.gz SIENPZYOYXQJJM-CABCVRRESA-N 1 0 376.519 1.425 20 0 GDADRO CCOC1CC([NH2+]CC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC000721747434 654839470 /nfs/dbraw/zinc/83/94/70/654839470.db2.gz YDYCLYTVVQHDPD-NRXISQOPSA-N 1 0 376.519 1.568 20 0 GDADRO Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)s1 ZINC000721751658 654839603 /nfs/dbraw/zinc/83/96/03/654839603.db2.gz IUSTVEPNLZCEJG-CQSZACIVSA-N 1 0 389.543 1.965 20 0 GDADRO CO[C@]1(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CCS(=O)(=O)C1 ZINC000724016292 654840701 /nfs/dbraw/zinc/84/07/01/654840701.db2.gz DUZWFAMZMVFFCV-CPUCHLNUSA-N 1 0 376.519 1.473 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000724113035 654840919 /nfs/dbraw/zinc/84/09/19/654840919.db2.gz YZNZTHQQCTUIRQ-KFWWJZLASA-N 1 0 375.535 1.693 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000783045067 654851291 /nfs/dbraw/zinc/85/12/91/654851291.db2.gz QCVRUWBYGAFMRU-UHFFFAOYSA-N 1 0 377.413 1.032 20 0 GDADRO COc1cccc(C[C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)n1 ZINC000783524189 654861468 /nfs/dbraw/zinc/86/14/68/654861468.db2.gz YEJRKFLKRRFZNZ-GFCCVEGCSA-N 1 0 377.457 1.875 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=S)NCC(F)(F)F)CC1 ZINC000751008787 654868456 /nfs/dbraw/zinc/86/84/56/654868456.db2.gz BLAZBCAIGJEVKZ-UHFFFAOYSA-N 1 0 382.496 1.839 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccc(Cl)nc1)OCCC[NH+]1CCCC1 ZINC000800104797 654872691 /nfs/dbraw/zinc/87/26/91/654872691.db2.gz GPHYMKRQZLENAM-UHFFFAOYSA-N 1 0 375.878 1.433 20 0 GDADRO O=C(OCCC[NH+]1CCCC1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000800124473 654873786 /nfs/dbraw/zinc/87/37/86/654873786.db2.gz ZJIUERXDODDFLL-UHFFFAOYSA-N 1 0 388.511 1.412 20 0 GDADRO O=C(OCCC[NH+]1CCCC1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000800181086 654878090 /nfs/dbraw/zinc/87/80/90/654878090.db2.gz FQCAILQDBKDSRX-OAHLLOKOSA-N 1 0 390.889 1.008 20 0 GDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCC2SCCS2)CC1 ZINC000829005596 654889606 /nfs/dbraw/zinc/88/96/06/654889606.db2.gz PMMFDTHRYXMHSM-UHFFFAOYSA-N 1 0 389.587 1.304 20 0 GDADRO C[NH+](C)CCC1CCN(S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000784744215 654896349 /nfs/dbraw/zinc/89/63/49/654896349.db2.gz ORIHFMBDXFOCMU-UHFFFAOYSA-N 1 0 375.535 1.599 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 ZINC000800937399 654902247 /nfs/dbraw/zinc/90/22/47/654902247.db2.gz WWHFGUXHFBMUEH-UHFFFAOYSA-N 1 0 385.917 1.385 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1CCCS(N)(=O)=O ZINC000729474601 654910341 /nfs/dbraw/zinc/91/03/41/654910341.db2.gz HIRICVXSZOPDRG-CABCVRRESA-N 1 0 375.535 1.919 20 0 GDADRO C[C@@H]1CN(C(=O)c2c(Br)nc3n2CCC3)CC[N@@H+]1CC(C)(C)O ZINC000829737389 654911834 /nfs/dbraw/zinc/91/18/34/654911834.db2.gz ZAGXNCCJVXYGQL-LLVKDONJSA-N 1 0 385.306 1.509 20 0 GDADRO Cn1nc(Br)cc1CNC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000785420200 654917038 /nfs/dbraw/zinc/91/70/38/654917038.db2.gz AWCNLMSOYCEWQT-MRXNPFEDSA-N 1 0 379.302 1.691 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000785437853 654917431 /nfs/dbraw/zinc/91/74/31/654917431.db2.gz ZVLHSNQUWUEPTL-CQSZACIVSA-N 1 0 375.336 1.480 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000785433500 654917435 /nfs/dbraw/zinc/91/74/35/654917435.db2.gz GCJGEDMDOYVLIK-LLVKDONJSA-N 1 0 384.230 1.441 20 0 GDADRO C[C@]1(C2CC[NH+](C[C@H](O)c3cccc(Br)c3)CC2)NC(=O)NC1=O ZINC000752300586 654925479 /nfs/dbraw/zinc/92/54/79/654925479.db2.gz HSPCVEBVNPFSNU-WMLDXEAASA-N 1 0 396.285 1.793 20 0 GDADRO C[C@@]1(C2CC[NH+](C[C@H](O)c3cccc(Br)c3)CC2)NC(=O)NC1=O ZINC000752300587 654925549 /nfs/dbraw/zinc/92/55/49/654925549.db2.gz HSPCVEBVNPFSNU-YOEHRIQHSA-N 1 0 396.285 1.793 20 0 GDADRO C[C@]1(C2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)NC(=O)NC1=O ZINC000752302165 654925585 /nfs/dbraw/zinc/92/55/85/654925585.db2.gz MNSXRIBXLUJRSS-RHSMWYFYSA-N 1 0 396.285 1.793 20 0 GDADRO CS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000830025377 654926033 /nfs/dbraw/zinc/92/60/33/654926033.db2.gz VLGLNZICZXWBBM-IAGOWNOFSA-N 1 0 382.551 1.719 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000801555374 654927574 /nfs/dbraw/zinc/92/75/74/654927574.db2.gz MDBUVFVGXSPXBF-KBPBESRZSA-N 1 0 377.551 1.797 20 0 GDADRO C[NH+](C)CCCOc1ccc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000730557233 654933988 /nfs/dbraw/zinc/93/39/88/654933988.db2.gz YKXAOVQKCAZUIQ-MRXNPFEDSA-N 1 0 386.539 1.876 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000802136322 654938897 /nfs/dbraw/zinc/93/88/97/654938897.db2.gz GIMCCEBOOGNAFK-JKSUJKDBSA-N 1 0 376.519 1.233 20 0 GDADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@H](C)NS(=O)(=O)c2cccs2)C1 ZINC000802135978 654939008 /nfs/dbraw/zinc/93/90/08/654939008.db2.gz CEGAVHJIGPQHAN-STQMWFEESA-N 1 0 376.500 1.067 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cnc(Cl)c(OC)c2)CC1 ZINC000786868408 654952131 /nfs/dbraw/zinc/95/21/31/654952131.db2.gz DTRDNADNOYPXLH-GFCCVEGCSA-N 1 0 376.910 1.048 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCNS(C)(=O)=O)C12CCCC2 ZINC000831028037 654966600 /nfs/dbraw/zinc/96/66/00/654966600.db2.gz ASJQZJMDNPSVNM-CQSZACIVSA-N 1 0 375.535 1.838 20 0 GDADRO CCCCN(C(=O)C[NH2+][C@H](CCO)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000754396065 654971614 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COc1cc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cnc1Br ZINC000788243288 654988214 /nfs/dbraw/zinc/98/82/14/654988214.db2.gz IVXRLPXSIHZRQA-NSHDSACASA-N 1 0 386.290 1.770 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cnc(Cl)c(Br)c3)[C@H]2C1 ZINC000831606350 654988912 /nfs/dbraw/zinc/98/89/12/654988912.db2.gz MIIYIVNZPZUPJY-KCJUWKMLSA-N 1 0 380.695 1.822 20 0 GDADRO CCO[C@@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)C[NH+](C)C ZINC000831696281 654992757 /nfs/dbraw/zinc/99/27/57/654992757.db2.gz UTENKSUPPDGWFW-ZDUSSCGKSA-N 1 0 386.290 1.642 20 0 GDADRO CCO[C@@H](CNC(=O)c1cc(Br)c2ncc(C=O)n2c1)C[NH+](C)C ZINC000831702358 654992968 /nfs/dbraw/zinc/99/29/68/654992968.db2.gz LIKYUWJBJLGPQO-ZDUSSCGKSA-N 1 0 397.273 1.606 20 0 GDADRO CCO[C@H](CNC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F)C[NH+](C)C ZINC000831756864 654996168 /nfs/dbraw/zinc/99/61/68/654996168.db2.gz LGBBFTXVTCKSRV-BXUZGUMPSA-N 1 0 383.436 1.674 20 0 GDADRO CCO[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C[NH+](C)C ZINC000831775652 654996693 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GDADRO COc1nc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000789552378 655024291 /nfs/dbraw/zinc/02/42/91/655024291.db2.gz BNTKIBICSHDIRP-NSHDSACASA-N 1 0 399.289 1.782 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)cnc3Cl)C[C@@H]21 ZINC000832265547 655024830 /nfs/dbraw/zinc/02/48/30/655024830.db2.gz QBBGVOXEGYLXCN-SCZZXKLOSA-N 1 0 380.695 1.822 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1OC ZINC000789572868 655026580 /nfs/dbraw/zinc/02/65/80/655026580.db2.gz WXZWTXRQVGYHOV-JTQLQIEISA-N 1 0 385.262 1.392 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000789596878 655029150 /nfs/dbraw/zinc/02/91/50/655029150.db2.gz YKRGJFXSWLXAKE-SNVBAGLBSA-N 1 0 397.273 1.558 20 0 GDADRO CCOC(=O)N1CCC([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000756898337 655029350 /nfs/dbraw/zinc/02/93/50/655029350.db2.gz IXWVNAWXVIMDSW-UHFFFAOYSA-N 1 0 383.461 1.461 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000832495758 655033367 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1.511 20 0 GDADRO O=C(NC[C@@H]1CSCCS1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000806470404 655065885 /nfs/dbraw/zinc/06/58/85/655065885.db2.gz WWDDPDHGFQNIQM-MRXNPFEDSA-N 1 0 385.599 1.676 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000834456490 655068553 /nfs/dbraw/zinc/06/85/53/655068553.db2.gz FDGMFZXFZIZZHM-MRVPVSSYSA-N 1 0 380.297 1.901 20 0 GDADRO C[NH+]1CCC(NC(=S)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 ZINC000806588104 655068637 /nfs/dbraw/zinc/06/86/37/655068637.db2.gz ZLPBTNUSVLSGDP-CYBMUJFWSA-N 1 0 380.480 1.878 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834544498 655072165 /nfs/dbraw/zinc/07/21/65/655072165.db2.gz NMQRUQMPKGNRFN-ILXRZTDVSA-N 1 0 375.535 1.788 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834544511 655072422 /nfs/dbraw/zinc/07/24/22/655072422.db2.gz NMQRUQMPKGNRFN-QLFBSQMISA-N 1 0 375.535 1.788 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]CC1)c1cccn2c(I)cnc12 ZINC000834582017 655073291 /nfs/dbraw/zinc/07/32/91/655073291.db2.gz CAOZQKHMWLSSJR-JTQLQIEISA-N 1 0 384.221 1.811 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C(=O)c2ccc(Br)s2)C1 ZINC000834569231 655073385 /nfs/dbraw/zinc/07/33/85/655073385.db2.gz KVRYKEWZPWUFLU-CQSZACIVSA-N 1 0 375.288 1.608 20 0 GDADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccn2c(I)cnc12 ZINC000834795712 655078348 /nfs/dbraw/zinc/07/83/48/655078348.db2.gz FCWFINCDJOATKK-IUCAKERBSA-N 1 0 388.184 1.369 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)[C@H](CCSC)NS(=O)(=O)/C=C/c1ccccc1 ZINC000834827801 655080290 /nfs/dbraw/zinc/08/02/90/655080290.db2.gz WZZPBCPFHOAHJA-VMNGNHSPSA-N 1 0 385.555 1.552 20 0 GDADRO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834875519 655081823 /nfs/dbraw/zinc/08/18/23/655081823.db2.gz QEAHXNSTUBSPAL-WFASDCNBSA-N 1 0 390.527 1.630 20 0 GDADRO CC[C@H]([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)[C@@H](C)O ZINC000834889468 655082136 /nfs/dbraw/zinc/08/21/36/655082136.db2.gz YCXWILFTJLJVSE-ZOWXZIJZSA-N 1 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1.543 20 0 GDADRO C[C@]1(CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1(Cl)Cl ZINC000836281297 655137894 /nfs/dbraw/zinc/13/78/94/655137894.db2.gz FFRYXQCQPMPYQH-WFASDCNBSA-N 1 0 379.332 1.847 20 0 GDADRO O=C(NC[C@@H](O)c1ccccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000836282308 655137944 /nfs/dbraw/zinc/13/79/44/655137944.db2.gz PEUAWVAKAFBHLG-WOSRLPQWSA-N 1 0 398.301 1.645 20 0 GDADRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nc1Br ZINC000794355797 655141162 /nfs/dbraw/zinc/14/11/62/655141162.db2.gz PHJZSGGSGDTXOE-GFCCVEGCSA-N 1 0 398.305 1.861 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(Br)o1 ZINC000809861149 655143402 /nfs/dbraw/zinc/14/34/02/655143402.db2.gz QEQXELLHWKQTLI-VIFPVBQESA-N 1 0 397.291 1.836 20 0 GDADRO C[NH+]1CCC(NC(=S)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000761502883 655146646 /nfs/dbraw/zinc/14/66/46/655146646.db2.gz HEKYVAHHDKDYRD-UHFFFAOYSA-N 1 0 375.947 1.802 20 0 GDADRO Cc1c(Br)nccc1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000836675715 655150471 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COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000841504142 655332265 /nfs/dbraw/zinc/33/22/65/655332265.db2.gz BJSGXPFVUSMACL-NSHDSACASA-N 1 0 381.841 1.600 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cccc3scnc32)CC1 ZINC000841524539 655337188 /nfs/dbraw/zinc/33/71/88/655337188.db2.gz OMECZCRJLSBXOF-UHFFFAOYSA-N 1 0 382.555 1.991 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)ccc1Br ZINC000841525429 655337321 /nfs/dbraw/zinc/33/73/21/655337321.db2.gz WKTMFGFORKKYTB-LLVKDONJSA-N 1 0 375.288 1.882 20 0 GDADRO O=C(CNC(=O)Cc1cccnc1Br)NCC[NH+]1CCCCCC1 ZINC000817164671 655347806 /nfs/dbraw/zinc/34/78/06/655347806.db2.gz REQFKWUNXYPACI-UHFFFAOYSA-N 1 0 397.317 1.495 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C ZINC000817290519 655349252 /nfs/dbraw/zinc/34/92/52/655349252.db2.gz DGCNOSKTZKLQDZ-ZNMIVQPWSA-N 1 0 377.551 1.797 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817400610 655351576 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CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000817677363 655356701 /nfs/dbraw/zinc/35/67/01/655356701.db2.gz RYMXRXDJCDXBSE-JTQLQIEISA-N 1 0 390.303 1.263 20 0 GDADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NC[C@H]2CSCCS2)cc1 ZINC000842128132 655357253 /nfs/dbraw/zinc/35/72/53/655357253.db2.gz ZBBVADDTENBMTP-JKSUJKDBSA-N 1 0 381.567 1.891 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842169337 655357718 /nfs/dbraw/zinc/35/77/18/655357718.db2.gz POFREJHDXMGTJD-UHFFFAOYSA-N 1 0 398.301 1.802 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000842216273 655359284 /nfs/dbraw/zinc/35/92/84/655359284.db2.gz HPRNQZCYRIYXCG-NSHDSACASA-N 1 0 386.265 1.363 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000842223244 655359617 /nfs/dbraw/zinc/35/96/17/655359617.db2.gz GAOHEAOXUCRQSS-IUODEOHRSA-N 1 0 396.285 1.217 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000842249029 655360303 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GDADRO CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H](C[NH3+])C1CC1 ZINC000818002834 655364139 /nfs/dbraw/zinc/36/41/39/655364139.db2.gz ILLKCEVPOKKODH-HNNXBMFYSA-N 1 0 385.917 1.934 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2C[NH2+]CCO2)ccc1Cl ZINC000818008008 655364337 /nfs/dbraw/zinc/36/43/37/655364337.db2.gz MPWCRKCXEUPWGC-CYBMUJFWSA-N 1 0 389.905 1.089 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000842476523 655366628 /nfs/dbraw/zinc/36/66/28/655366628.db2.gz QJWNGWOKZVFNKC-ZETOZRRWSA-N 1 0 375.441 1.598 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccc1Br ZINC000842480046 655366794 /nfs/dbraw/zinc/36/67/94/655366794.db2.gz NGWLQTLBKBDTSJ-ZJUUUORDSA-N 1 0 391.287 1.641 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(Br)o1 ZINC000842479933 655366795 /nfs/dbraw/zinc/36/67/95/655366795.db2.gz JPIVKPHDAZRTHJ-SFYZADRCSA-N 1 0 381.248 1.234 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cccn3c(I)cnc23)C[C@@H]1C[NH3+] ZINC000842508499 655368447 /nfs/dbraw/zinc/36/84/47/655368447.db2.gz AFPVDJCSVZLNEP-MNOVXSKESA-N 1 0 398.248 1.996 20 0 GDADRO O=C(c1cccn2c(I)cnc12)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842511515 655368513 /nfs/dbraw/zinc/36/85/13/655368513.db2.gz CZRBKWFHYAVADC-HNNXBMFYSA-N 1 0 396.232 1.907 20 0 GDADRO C[NH2+]C[C@@H](C)c1noc(CCN2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000842577955 655369079 /nfs/dbraw/zinc/36/90/79/655369079.db2.gz SZLPFCXSRPYLHL-SECBINFHSA-N 1 0 393.241 1.994 20 0 GDADRO Cn1nc(Br)c2c1ncn(Cc1nc(C3([NH3+])CCCC3)no1)c2=O ZINC000842588926 655369271 /nfs/dbraw/zinc/36/92/71/655369271.db2.gz AXYDKDNXCISUGT-UHFFFAOYSA-N 1 0 394.233 1.052 20 0 GDADRO O=S(=O)(N[C@@H]1CC[NH2+]C1)c1c(Cl)nc2ccc(Br)cn21 ZINC000842692345 655371406 /nfs/dbraw/zinc/37/14/06/655371406.db2.gz JKSWGQUHIFASBE-MRVPVSSYSA-N 1 0 379.667 1.390 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000842709003 655372712 /nfs/dbraw/zinc/37/27/12/655372712.db2.gz SLCPFRULFHWYNG-JTQLQIEISA-N 1 0 391.287 1.514 20 0 GDADRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000842711092 655372822 /nfs/dbraw/zinc/37/28/22/655372822.db2.gz WWKIRSRYDJMOIR-UHFFFAOYSA-N 1 0 379.404 1.808 20 0 GDADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]CCCCS(C)(=O)=O ZINC000818351252 655372884 /nfs/dbraw/zinc/37/28/84/655372884.db2.gz POJKBTPPJOXVLU-ZNMIVQPWSA-N 1 0 378.535 1.719 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000842726249 655373837 /nfs/dbraw/zinc/37/38/37/655373837.db2.gz DIAFKRNGSONUMR-QWRGUYRKSA-N 1 0 380.919 1.491 20 0 GDADRO [NH3+]C[C@@H](NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21)C1CC1 ZINC000842728849 655374059 /nfs/dbraw/zinc/37/40/59/655374059.db2.gz IYBCQEWPCZKTLW-SECBINFHSA-N 1 0 393.694 1.766 20 0 GDADRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842733341 655374204 /nfs/dbraw/zinc/37/42/04/655374204.db2.gz ARCJXNBKWIMMPC-UHFFFAOYSA-N 1 0 388.433 1.776 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)NCC(C)(C)[NH3+])c1 ZINC000842733116 655374262 /nfs/dbraw/zinc/37/42/62/655374262.db2.gz VLMJARXQINVUMD-UHFFFAOYSA-N 1 0 393.303 1.950 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(C)c1Cl ZINC000842763949 655375600 /nfs/dbraw/zinc/37/56/00/655375600.db2.gz PETUGMBMAMPISN-AWEZNQCLSA-N 1 0 378.903 1.871 20 0 GDADRO C[C@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000818533895 655376265 /nfs/dbraw/zinc/37/62/65/655376265.db2.gz VLHSYAMYDFNNNA-QWHCGFSZSA-N 1 0 385.917 1.998 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000818563067 655376362 /nfs/dbraw/zinc/37/63/62/655376362.db2.gz BHZFMZWNVJUYOW-VHSXEESVSA-N 1 0 375.288 1.662 20 0 GDADRO [NH3+]CCNC(=O)c1ccccc1NC(=O)CCn1cc(Br)cn1 ZINC000818583451 655376575 /nfs/dbraw/zinc/37/65/75/655376575.db2.gz WBYZZCWMRFBRMQ-UHFFFAOYSA-N 1 0 380.246 1.363 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC[C@H]1[NH3+] ZINC000842797061 655377796 /nfs/dbraw/zinc/37/77/96/655377796.db2.gz DXDLVRSDTNRSIR-RKDXNWHRSA-N 1 0 386.948 1.553 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000842804067 655378290 /nfs/dbraw/zinc/37/82/90/655378290.db2.gz UWIQWGOTBXNQEF-BONVTDFDSA-N 1 0 375.878 1.708 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)ccc1Br ZINC000842813827 655378816 /nfs/dbraw/zinc/37/88/16/655378816.db2.gz UGKBUBQPFHVIFM-UWVGGRQHSA-N 1 0 391.287 1.655 20 0 GDADRO CC(C)N(CCC[NH2+]CC1(O)CCS(=O)(=O)CC1)C(=O)OC(C)(C)C ZINC000819015969 655383271 /nfs/dbraw/zinc/38/32/71/655383271.db2.gz DHYZSRNHMCMYIH-UHFFFAOYSA-N 1 0 378.535 1.551 20 0 GDADRO C[C@@](O)(C[NH2+]CCCN1C(=O)CCC1=O)c1ccc(Br)cc1F ZINC000819022896 655383287 /nfs/dbraw/zinc/38/32/87/655383287.db2.gz CPUWKWGPUZRXES-MRXNPFEDSA-N 1 0 387.249 1.924 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccccc1Br)NCC1CCC1 ZINC000819049771 655383959 /nfs/dbraw/zinc/38/39/59/655383959.db2.gz XAXWKIBIERBWGZ-OAHLLOKOSA-N 1 0 391.331 1.792 20 0 GDADRO [NH3+]CCCCCCNS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000842918177 655384028 /nfs/dbraw/zinc/38/40/28/655384028.db2.gz CRYMIRSNCPAVKH-UHFFFAOYSA-N 1 0 391.291 1.828 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c(Br)cc1F ZINC000842914948 655384075 /nfs/dbraw/zinc/38/40/75/655384075.db2.gz ODKVCPGQZWFSGV-YUMQZZPRSA-N 1 0 397.266 1.779 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000819064249 655384601 /nfs/dbraw/zinc/38/46/01/655384601.db2.gz VDWILOSCUNXYLC-CYBMUJFWSA-N 1 0 384.395 1.852 20 0 GDADRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)c3ccc(Br)cc3)C2=O)n(C)n1 ZINC000819119651 655386460 /nfs/dbraw/zinc/38/64/60/655386460.db2.gz AXOXGDGAPIAGJG-LSDHHAIUSA-N 1 0 393.285 1.920 20 0 GDADRO CN(CC[NH2+]C[C@@H](O)c1cc(F)ccc1F)S(=O)(=O)c1cccs1 ZINC000819179654 655387610 /nfs/dbraw/zinc/38/76/10/655387610.db2.gz GFMFZGZIEBNXHU-CQSZACIVSA-N 1 0 376.450 1.970 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000843067152 655387904 /nfs/dbraw/zinc/38/79/04/655387904.db2.gz BZHQRZDZVOVQJL-ZDUSSCGKSA-N 1 0 383.388 1.148 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H](O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000843078121 655387978 /nfs/dbraw/zinc/38/79/78/655387978.db2.gz WYZCIEXOAFMDIH-RISCZKNCSA-N 1 0 389.290 1.958 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000843078119 655387984 /nfs/dbraw/zinc/38/79/84/655387984.db2.gz WYZCIEXOAFMDIH-FZMZJTMJSA-N 1 0 389.290 1.958 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]CCC2CS(=O)(=O)C2)CC1 ZINC000819256706 655388816 /nfs/dbraw/zinc/38/88/16/655388816.db2.gz PAONKBNCXXKQIH-KRWDZBQOSA-N 1 0 376.519 1.163 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000819307994 655389396 /nfs/dbraw/zinc/38/93/96/655389396.db2.gz KYOQVNQKWBWPSV-CABCVRRESA-N 1 0 391.331 1.886 20 0 GDADRO [NH3+]CC1(c2nc(-c3ccc4ncc(I)n4c3)no2)CC1 ZINC000843224767 655389966 /nfs/dbraw/zinc/38/99/66/655389966.db2.gz TWVGYISFNOUFHL-UHFFFAOYSA-N 1 0 381.177 1.979 20 0 GDADRO C[C@](O)(C[NH2+]CCCCS(N)(=O)=O)c1ccc(Br)cc1Cl ZINC000819331772 655390088 /nfs/dbraw/zinc/39/00/88/655390088.db2.gz BZWMXOUUVGYKMA-ZDUSSCGKSA-N 1 0 399.738 1.968 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819343661 655390241 /nfs/dbraw/zinc/39/02/41/655390241.db2.gz PMXQLLODVJBJOZ-FZMZJTMJSA-N 1 0 397.310 1.713 20 0 GDADRO O[C@H](C[NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(Br)cc1 ZINC000819361016 655390584 /nfs/dbraw/zinc/39/05/84/655390584.db2.gz BOGFBJKZTLVGAE-QGZVFWFLSA-N 1 0 399.329 1.954 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)COc1ccc(Br)cc1)C1CC1 ZINC000819369750 655390720 /nfs/dbraw/zinc/39/07/20/655390720.db2.gz MPLQZPDUJJXWAB-LBPRGKRZSA-N 1 0 378.288 1.356 20 0 GDADRO C[C@H](CC(=O)Nc1cccc(C[NH3+])c1)NS(=O)(=O)c1cccnc1Cl ZINC000843288282 655390831 /nfs/dbraw/zinc/39/08/31/655390831.db2.gz AAZGQXGCTCZVFL-LLVKDONJSA-N 1 0 382.873 1.889 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843321271 655392483 /nfs/dbraw/zinc/39/24/83/655392483.db2.gz YPAWKUXONOIHAB-NSHDSACASA-N 1 0 380.495 1.028 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843321841 655392570 /nfs/dbraw/zinc/39/25/70/655392570.db2.gz MGOIRUXKWJEQMR-GFCCVEGCSA-N 1 0 380.495 1.170 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843337566 655392955 /nfs/dbraw/zinc/39/29/55/655392955.db2.gz FZHLBLUDIAFWQT-NSHDSACASA-N 1 0 380.495 1.028 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000843471507 655396024 /nfs/dbraw/zinc/39/60/24/655396024.db2.gz HVGDSEQMRFZPQD-HOCLYGCPSA-N 1 0 388.295 1.873 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1Cl ZINC000843486238 655396796 /nfs/dbraw/zinc/39/67/96/655396796.db2.gz ZYGTWSHMSOLPGD-CYBMUJFWSA-N 1 0 386.901 1.571 20 0 GDADRO C[C@@H](CC(=O)NCCCCCC[NH3+])NS(=O)(=O)c1cccnc1Cl ZINC000843511834 655397318 /nfs/dbraw/zinc/39/73/18/655397318.db2.gz NWHYQDSMOKSBON-LBPRGKRZSA-N 1 0 376.910 1.427 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843513501 655397431 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Cc1nc(C)c(CC[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)s1 ZINC000820809505 655417671 /nfs/dbraw/zinc/41/76/71/655417671.db2.gz CFWVOYFFDZGBEE-NSHDSACASA-N 1 0 381.523 1.912 20 0 GDADRO C[C@]1(CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@]1(F)Cl ZINC000844987798 655421961 /nfs/dbraw/zinc/42/19/61/655421961.db2.gz DKUWDDOQCFNXJV-XIRDDKMYSA-N 1 0 376.904 1.397 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)C1 ZINC000821404086 655429406 /nfs/dbraw/zinc/42/94/06/655429406.db2.gz RXXJGRVRHWJGPF-ZDUSSCGKSA-N 1 0 385.452 1.337 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000821410659 655429579 /nfs/dbraw/zinc/42/95/79/655429579.db2.gz PCPCWANXVLTWEY-ZDUSSCGKSA-N 1 0 385.452 1.623 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC000821727168 655433857 /nfs/dbraw/zinc/43/38/57/655433857.db2.gz AUJZPBYNYVFESZ-UHFFFAOYSA-N 1 0 378.782 1.600 20 0 GDADRO O=C(OC[C@@]12CC[N@H+](C1)CCC2)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000845796573 655435891 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COC(=O)c1cc(S(=O)(=O)NCCC2CC[NH2+]CC2)c(Br)o1 ZINC000846234640 655450409 /nfs/dbraw/zinc/45/04/09/655450409.db2.gz SXUIZKJYQBDQPA-UHFFFAOYSA-N 1 0 395.275 1.497 20 0 GDADRO CO[C@@H](C[NH3+])Cc1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000822900853 655453346 /nfs/dbraw/zinc/45/33/46/655453346.db2.gz KVSGFWBSAINOJW-SECBINFHSA-N 1 0 380.253 1.867 20 0 GDADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(N)nc(Br)c2)CC1 ZINC000823057162 655455912 /nfs/dbraw/zinc/45/59/12/655455912.db2.gz QHGZOFAMTPMNDN-LLVKDONJSA-N 1 0 383.290 1.752 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2sc(N(C)C)nc2Cl)CC1 ZINC000823103474 655456681 /nfs/dbraw/zinc/45/66/81/655456681.db2.gz AKUJSECJIZDDFV-UHFFFAOYSA-N 1 0 387.937 1.489 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000846669957 655458658 /nfs/dbraw/zinc/45/86/58/655458658.db2.gz KWESEXGJDYEDBC-JTQLQIEISA-N 1 0 383.392 1.206 20 0 GDADRO Cn1nc(Br)c2c1ncnc2NCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846669275 655458667 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1.353 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000823562658 655464987 /nfs/dbraw/zinc/46/49/87/655464987.db2.gz XBDZTGWMOYTOAT-VIFPVBQESA-N 1 0 378.782 1.946 20 0 GDADRO NC(=O)[C@]1([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCOC1 ZINC000847051412 655465038 /nfs/dbraw/zinc/46/50/38/655465038.db2.gz GXVBKUIBADGKGK-YGRLFVJLSA-N 1 0 393.665 1.076 20 0 GDADRO Cc1nc(Cl)c(Cl)cc1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000847647281 655474209 /nfs/dbraw/zinc/47/42/09/655474209.db2.gz MRWOHXFSIIJKQV-UHFFFAOYSA-N 1 0 388.295 1.996 20 0 GDADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000824426601 655475147 /nfs/dbraw/zinc/47/51/47/655475147.db2.gz BIPKSYPZLNRGQX-GJZGRUSLSA-N 1 0 377.551 1.749 20 0 GDADRO C[NH+]1CCC2(CCCN(C(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)C2)CC1 ZINC000848032204 655480651 /nfs/dbraw/zinc/48/06/51/655480651.db2.gz DIOYUYQOKCBYBM-UHFFFAOYSA-N 1 0 385.917 1.935 20 0 GDADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)[nH]c1=O ZINC000824878875 655481621 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CS[C@H]1CN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000826226618 655497047 /nfs/dbraw/zinc/49/70/47/655497047.db2.gz CUOWCGTXEISUKV-NEPJUHHUSA-N 1 0 381.531 1.234 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000826985650 655504074 /nfs/dbraw/zinc/50/40/74/655504074.db2.gz JODIEAMARGCWQD-LJISPDSOSA-N 1 0 376.519 1.424 20 0 GDADRO COc1ncc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000827160272 655506850 /nfs/dbraw/zinc/50/68/50/655506850.db2.gz NGXCNNHUAFOTCK-ZDUSSCGKSA-N 1 0 389.905 1.665 20 0 GDADRO C[C@H](CNC(=O)c1csc(I)n1)N1CC[NH+](C)CC1 ZINC000827579527 655513379 /nfs/dbraw/zinc/51/33/79/655513379.db2.gz FQENPOMBDJYCQP-SECBINFHSA-N 1 0 394.282 1.113 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cn(C)nc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000827739838 655515793 /nfs/dbraw/zinc/51/57/93/655515793.db2.gz RIOWRSKBMPEIIK-LBPRGKRZSA-N 1 0 376.910 1.045 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2[S@@](=O)C(F)(F)F)C1 ZINC000827837362 655517128 /nfs/dbraw/zinc/51/71/28/655517128.db2.gz USWVBCRUDKJSOC-JPQMIFPKSA-N 1 0 378.416 1.889 20 0 GDADRO CCOCCCNC(=[NH2+])NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000849050778 655517208 /nfs/dbraw/zinc/51/72/08/655517208.db2.gz HUSNORFSDPKNMB-UHFFFAOYSA-N 1 0 397.328 1.812 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1 ZINC000849329916 655522040 /nfs/dbraw/zinc/52/20/40/655522040.db2.gz XOJMMSCGDBBVPM-MRXNPFEDSA-N 1 0 389.539 1.461 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)[NH+](C)C ZINC000849428650 655533596 /nfs/dbraw/zinc/53/35/96/655533596.db2.gz CNFYVMXPJHVUHS-JTQLQIEISA-N 1 0 388.433 1.599 20 0 GDADRO Cc1nc(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c(Br)n1C ZINC000849468274 655540955 /nfs/dbraw/zinc/54/09/55/655540955.db2.gz MMKUBITXFPKDNX-LLVKDONJSA-N 1 0 393.351 1.890 20 0 GDADRO CN(CC(F)(F)Br)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849593782 655542504 /nfs/dbraw/zinc/54/25/04/655542504.db2.gz RQAOJJHHBCORSE-NEPJUHHUSA-N 1 0 379.249 1.902 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2nn(C)cc2Br)cn1 ZINC000849598864 655542694 /nfs/dbraw/zinc/54/26/94/655542694.db2.gz HUHVQCJNGNWWRT-CHWSQXEVSA-N 1 0 395.305 1.268 20 0 GDADRO OCCO[C@@]1(C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CCOC1 ZINC000850358142 655552913 /nfs/dbraw/zinc/55/29/13/655552913.db2.gz IBAVWVXGEHORQX-QGZVFWFLSA-N 1 0 375.824 1.782 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1Br ZINC000850370635 655553334 /nfs/dbraw/zinc/55/33/34/655553334.db2.gz STUVNQMZNKIOPG-LLVKDONJSA-N 1 0 375.288 1.898 20 0 GDADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850496248 655556787 /nfs/dbraw/zinc/55/67/87/655556787.db2.gz MLIYPNVUDXNYCQ-RULNZOCKSA-N 1 0 386.461 1.912 20 0 GDADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C1 ZINC000850520578 655557241 /nfs/dbraw/zinc/55/72/41/655557241.db2.gz WATQOCLHFMVANW-VHSXEESVSA-N 1 0 381.363 1.920 20 0 GDADRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000850547080 655558483 /nfs/dbraw/zinc/55/84/83/655558483.db2.gz AHHPRUDCIVNWNA-SECBINFHSA-N 1 0 394.291 1.445 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NCC23CC(C2)C[NH2+]3)s1 ZINC000850593243 655559897 /nfs/dbraw/zinc/55/98/97/655559897.db2.gz YOPLUEWBBKQVOA-UHFFFAOYSA-N 1 0 395.300 1.328 20 0 GDADRO O=C(c1cc(Br)ccc1-n1cnnn1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851635504 655589401 /nfs/dbraw/zinc/58/94/01/655589401.db2.gz LVQLPTOCXFBSDM-INIZCTEOSA-N 1 0 391.273 1.641 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000851649330 655589718 /nfs/dbraw/zinc/58/97/18/655589718.db2.gz WDYSQIOTWVKFBF-HUUCEWRRSA-N 1 0 375.441 1.366 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000851672822 655590332 /nfs/dbraw/zinc/59/03/32/655590332.db2.gz VAKGYKMNWZDBLX-CHWSQXEVSA-N 1 0 385.452 1.527 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000851688181 655590473 /nfs/dbraw/zinc/59/04/73/655590473.db2.gz SATVEWURYMCXDA-UHFFFAOYSA-N 1 0 384.249 1.197 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC1SCCS1 ZINC000851845982 655599370 /nfs/dbraw/zinc/59/93/70/655599370.db2.gz VIXQSQXAPIXPSW-UHFFFAOYSA-N 1 0 378.589 1.536 20 0 GDADRO CCN(CCS(C)(=O)=O)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000851865847 655600921 /nfs/dbraw/zinc/60/09/21/655600921.db2.gz FDIDSWNTOOHNJS-AWEZNQCLSA-N 1 0 376.519 1.521 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000851879795 655601989 /nfs/dbraw/zinc/60/19/89/655601989.db2.gz NBUAAYQXFJRUPN-CYBMUJFWSA-N 1 0 390.937 1.646 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000851899430 655603564 /nfs/dbraw/zinc/60/35/64/655603564.db2.gz WYTBMPBPAVPVOM-IUODEOHRSA-N 1 0 394.430 1.830 20 0 GDADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCn2cnc(Br)n2)c1 ZINC000851899458 655603658 /nfs/dbraw/zinc/60/36/58/655603658.db2.gz XQTNVCMPUVIVNT-SNVBAGLBSA-N 1 0 388.291 1.300 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000852171054 655609328 /nfs/dbraw/zinc/60/93/28/655609328.db2.gz WSSOHKLUIOXHLY-AWEZNQCLSA-N 1 0 384.435 1.071 20 0 GDADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000852186725 655609760 /nfs/dbraw/zinc/60/97/60/655609760.db2.gz IJXKRUKVMKFSEK-UPJWGTAASA-N 1 0 387.468 1.629 20 0 GDADRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)CCn1cnc(Br)n1 ZINC000852192410 655609843 /nfs/dbraw/zinc/60/98/43/655609843.db2.gz PXUZICFRXNHMND-UHFFFAOYSA-N 1 0 392.257 1.659 20 0 GDADRO OC1(C[NH+]2CCC(n3nncc3I)CC2)CCCC1 ZINC000852532131 655617132 /nfs/dbraw/zinc/61/71/32/655617132.db2.gz DHEDJOACICXYCB-UHFFFAOYSA-N 1 0 376.242 1.825 20 0 GDADRO C[C@@H](C[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1)S(C)(=O)=O ZINC000852603754 655618576 /nfs/dbraw/zinc/61/85/76/655618576.db2.gz KUBMHYIABVSRLL-GXTWGEPZSA-N 1 0 384.464 1.932 20 0 GDADRO O=C(C=C1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000852803646 655622906 /nfs/dbraw/zinc/62/29/06/655622906.db2.gz ACKATNVJCQFVKC-UHFFFAOYSA-N 1 0 383.901 1.483 20 0 GDADRO CN1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)[C@H](C[NH3+])C1 ZINC000852797892 655622924 /nfs/dbraw/zinc/62/29/24/655622924.db2.gz DBACSPJPNJWKIQ-CYBMUJFWSA-N 1 0 378.274 1.350 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)n1 ZINC000852844240 655624051 /nfs/dbraw/zinc/62/40/51/655624051.db2.gz AVLPISXDMYGDRQ-VIFPVBQESA-N 1 0 382.877 1.394 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)=NO1 ZINC000852856202 655624134 /nfs/dbraw/zinc/62/41/34/655624134.db2.gz WAYZINBIADLZPD-JTQLQIEISA-N 1 0 387.303 1.258 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH3+])CCCC2)c1 ZINC000852851752 655624135 /nfs/dbraw/zinc/62/41/35/655624135.db2.gz IDKHAQRCLOEXJY-UHFFFAOYSA-N 1 0 389.905 1.266 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)c2cccn3c(I)cnc23)CC[C@H]1F ZINC000852870885 655624734 /nfs/dbraw/zinc/62/47/34/655624734.db2.gz ZDUSMZDDSYSSIR-NXEZZACHSA-N 1 0 388.184 1.450 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cnn(-c2ccccc2)c1Br ZINC000852883541 655625236 /nfs/dbraw/zinc/62/52/36/655625236.db2.gz YNCCPCBOWIVTDC-ZDUSSCGKSA-N 1 0 379.258 1.743 20 0 GDADRO C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1I)[C@H](C)[NH3+] ZINC000852881950 655625248 /nfs/dbraw/zinc/62/52/48/655625248.db2.gz UENKMZJMWQHSLC-VHSXEESVSA-N 1 0 384.221 1.942 20 0 GDADRO CO[C@@H](C[NH3+])CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901315 655625960 /nfs/dbraw/zinc/62/59/60/655625960.db2.gz GHWWMEZWSCGUPN-KKZNHRDASA-N 1 0 384.112 1.705 20 0 GDADRO CS(=O)(=O)CCOc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852902676 655626248 /nfs/dbraw/zinc/62/62/48/655626248.db2.gz PVKLIWDPJFLXGW-AWEZNQCLSA-N 1 0 380.388 1.591 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)c1cnn(-c2ccccc2)c1I ZINC000852923520 655628485 /nfs/dbraw/zinc/62/84/85/655628485.db2.gz GAROJIBQBKZUQC-SNVBAGLBSA-N 1 0 384.221 1.815 20 0 GDADRO C[C@]1(NC(=O)C(=O)Nc2cc3ccccc3nc2Br)CC[NH2+]C1 ZINC000853337478 655638499 /nfs/dbraw/zinc/63/84/99/655638499.db2.gz KGMOXQJCGAAXRF-INIZCTEOSA-N 1 0 377.242 1.804 20 0 GDADRO Cc1cc(N2CCC(n3nncc3I)CC2)nc(N)[nH+]1 ZINC000853858774 655652178 /nfs/dbraw/zinc/65/21/78/655652178.db2.gz OXPFTPSKYSQMGA-UHFFFAOYSA-N 1 0 385.213 1.405 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2cnn(C(C)(C)C)c2Br)CC1 ZINC000854278112 655659954 /nfs/dbraw/zinc/65/99/54/655659954.db2.gz PRXOLRCPZNBKBC-UHFFFAOYSA-N 1 0 386.338 1.768 20 0 GDADRO O=C(NCc1cnc(Br)cn1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000854349363 655663084 /nfs/dbraw/zinc/66/30/84/655663084.db2.gz GXGONRLAUGVNBY-QGZVFWFLSA-N 1 0 391.269 1.492 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3cn4c(Br)cnc4s3)C2)CC1 ZINC000854644681 655673318 /nfs/dbraw/zinc/67/33/18/655673318.db2.gz SLJUVGIPGCQYQC-UHFFFAOYSA-N 1 0 398.330 1.478 20 0 GDADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Br)n[nH]1 ZINC000855405030 655693172 /nfs/dbraw/zinc/69/31/72/655693172.db2.gz ZLRRSYAXBCQRQR-CYBMUJFWSA-N 1 0 379.258 1.669 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000855414481 655693731 /nfs/dbraw/zinc/69/37/31/655693731.db2.gz DNPCVMIHYSZJDF-UHFFFAOYSA-N 1 0 383.486 1.358 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CCO1 ZINC000856428638 655713179 /nfs/dbraw/zinc/71/31/79/655713179.db2.gz ZCVVHHMBTBWXGE-AWEZNQCLSA-N 1 0 388.917 1.926 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCCSCc1ccnc(Cl)c1)C2 ZINC000857101459 655727784 /nfs/dbraw/zinc/72/77/84/655727784.db2.gz YCVCDFFAVTUAPM-GUYCJALGSA-N 1 0 382.917 1.424 20 0 GDADRO CN(OCC(F)(F)F)C(=O)CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000857426341 655737223 /nfs/dbraw/zinc/73/72/23/655737223.db2.gz SASBUZFKBDLUGS-GFCCVEGCSA-N 1 0 383.436 1.272 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(Br)nc3n2CCOC3)[C@H](C)C1 ZINC000857712706 655739703 /nfs/dbraw/zinc/73/97/03/655739703.db2.gz RMVSUXBTOSVXSX-NEPJUHHUSA-N 1 0 385.306 1.978 20 0 GDADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)Cn2cnnn2)C1 ZINC000857883448 655742877 /nfs/dbraw/zinc/74/28/77/655742877.db2.gz VCOBIPCCJPZIFS-ZDUSSCGKSA-N 1 0 379.262 1.345 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN(C)CC(F)F ZINC000858337008 655747437 /nfs/dbraw/zinc/74/74/37/655747437.db2.gz XGHWECMUYQUSED-LLVKDONJSA-N 1 0 384.880 1.491 20 0 GDADRO CN(CCOCC[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000858501035 655748880 /nfs/dbraw/zinc/74/88/80/655748880.db2.gz VWXYSYZWKAVZDF-LSDHHAIUSA-N 1 0 378.535 1.815 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000858612888 655750342 /nfs/dbraw/zinc/75/03/42/655750342.db2.gz PFKCHHUWQVNWCD-SNVBAGLBSA-N 1 0 377.850 1.175 20 0 GDADRO C[C@H]1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000858615737 655750464 /nfs/dbraw/zinc/75/04/64/655750464.db2.gz WGGCDFSOOWYIEN-QWRGUYRKSA-N 1 0 379.404 1.793 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c1)C(F)(F)F ZINC000858617805 655750723 /nfs/dbraw/zinc/75/07/23/655750723.db2.gz LKWLABJAFZUULP-LBPRGKRZSA-N 1 0 377.388 1.750 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH3+])CCOCC2)c(Cl)cc1Cl ZINC000858623586 655751068 /nfs/dbraw/zinc/75/10/68/655751068.db2.gz WVRSEJDAGCCFFE-UHFFFAOYSA-N 1 0 397.280 1.566 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)ccc1Br ZINC000858631589 655751387 /nfs/dbraw/zinc/75/13/87/655751387.db2.gz GXJBJBSTJIDKDI-UWVGGRQHSA-N 1 0 391.287 1.655 20 0 GDADRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[NH2+]1 ZINC000858631799 655751475 /nfs/dbraw/zinc/75/14/75/655751475.db2.gz IIANOLFZLFRMPC-NXEZZACHSA-N 1 0 386.417 1.399 20 0 GDADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000858640031 655751828 /nfs/dbraw/zinc/75/18/28/655751828.db2.gz LUSYTAPIIGZUAZ-VIFPVBQESA-N 1 0 398.312 1.428 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N(C)C[C@@H](C)[NH3+] ZINC000858641475 655751924 /nfs/dbraw/zinc/75/19/24/655751924.db2.gz HPPCORUYDVADGG-CQSZACIVSA-N 1 0 389.543 1.137 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N(C)C[C@H](C)[NH3+])c(Br)c1 ZINC000858642158 655751938 /nfs/dbraw/zinc/75/19/38/655751938.db2.gz XVXCRTLBNQBIJO-VIFPVBQESA-N 1 0 379.276 1.594 20 0 GDADRO Cn1nc(Cl)c(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1Cl ZINC000858812546 655753631 /nfs/dbraw/zinc/75/36/31/655753631.db2.gz QWCDOQBDJNSQOR-UHFFFAOYSA-N 1 0 383.283 1.804 20 0 GDADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC[N@@H+]1C ZINC000859019445 655759574 /nfs/dbraw/zinc/75/95/74/655759574.db2.gz QMLRRKBGIMDQQH-JQWIXIFHSA-N 1 0 379.404 1.948 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC000859050767 655760477 /nfs/dbraw/zinc/76/04/77/655760477.db2.gz QAZOLSOLNBFIGB-UHFFFAOYSA-N 1 0 379.258 1.981 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(Br)cc(C=O)c2)C1 ZINC000859098757 655763277 /nfs/dbraw/zinc/76/32/77/655763277.db2.gz BPZHVBCXYJYACX-CYBMUJFWSA-N 1 0 396.285 1.579 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)NCCOCC[NH+](C)C)cc1Cl ZINC000859102559 655763388 /nfs/dbraw/zinc/76/33/88/655763388.db2.gz LDBFBIXPOXAZEZ-UHFFFAOYSA-N 1 0 379.866 1.375 20 0 GDADRO CCOC(=O)c1c(NC(=O)N(C)C[C@@H](C)[NH3+])sc2c1CCS(=O)(=O)C2 ZINC000859666407 655788581 /nfs/dbraw/zinc/78/85/81/655788581.db2.gz MCJZRBFTCJKQOT-SECBINFHSA-N 1 0 389.499 1.207 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cccc2scnc21)[C@@H]1CCS(=O)(=O)C1 ZINC000859941271 655792069 /nfs/dbraw/zinc/79/20/69/655792069.db2.gz LMQZDXDKKLVRSP-CYBMUJFWSA-N 1 0 381.523 1.877 20 0 GDADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@]1(C)Br ZINC000860384120 655799747 /nfs/dbraw/zinc/79/97/47/655799747.db2.gz RYGBJBIVBMCSJV-VKJFTORMSA-N 1 0 396.329 1.565 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c(Br)cc1F ZINC000861542277 655825511 /nfs/dbraw/zinc/82/55/11/655825511.db2.gz NMVHVTODZCOHRQ-SSDOTTSWSA-N 1 0 390.209 1.119 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000861543937 655825698 /nfs/dbraw/zinc/82/56/98/655825698.db2.gz IHWZYJHVICVRNS-SNVBAGLBSA-N 1 0 380.246 1.379 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000861544442 655825710 /nfs/dbraw/zinc/82/57/10/655825710.db2.gz LNKYEGNTDREBCN-POYBYMJQSA-N 1 0 395.179 1.668 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(I)cc1F ZINC000861543834 655825718 /nfs/dbraw/zinc/82/57/18/655825718.db2.gz GZXXTAJJTJFHHQ-ZETCQYMHSA-N 1 0 379.173 1.174 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000861615604 655826661 /nfs/dbraw/zinc/82/66/61/655826661.db2.gz RSSNTRWGOIHYIB-JTQLQIEISA-N 1 0 383.392 1.348 20 0 GDADRO O=C(c1cn2c(Br)cnc2s1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713856 655828839 /nfs/dbraw/zinc/82/88/39/655828839.db2.gz FNDXWGNDMRDGJK-UWVGGRQHSA-N 1 0 385.287 1.439 20 0 GDADRO CC(C)(C)n1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c(Br)n1 ZINC000861717115 655829052 /nfs/dbraw/zinc/82/90/52/655829052.db2.gz XXAZJZCJVKSTRO-VXGBXAGGSA-N 1 0 385.306 1.682 20 0 GDADRO C[C@]1(CCNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C[C@]1(F)Cl ZINC000861781375 655830653 /nfs/dbraw/zinc/83/06/53/655830653.db2.gz UCMBBQQLRHIGPU-XXSPCDMZSA-N 1 0 387.805 1.793 20 0 GDADRO O=Cc1cc(Br)cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000862228724 655842691 /nfs/dbraw/zinc/84/26/91/655842691.db2.gz WIJVTRWMKBWAQX-MRXNPFEDSA-N 1 0 381.270 1.933 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000862276540 655843824 /nfs/dbraw/zinc/84/38/24/655843824.db2.gz SYMASAOZPPPVAX-NSHDSACASA-N 1 0 385.477 1.549 20 0 GDADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]CC2(S(C)(=O)=O)CCC2)COC1(C)C ZINC000862350645 655844784 /nfs/dbraw/zinc/84/47/84/655844784.db2.gz DDPNHZSTEZNVGL-CYBMUJFWSA-N 1 0 376.519 1.915 20 0 GDADRO CN(CCOCC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000862485782 655846861 /nfs/dbraw/zinc/84/68/61/655846861.db2.gz RAXJZYZAINAESK-LSDHHAIUSA-N 1 0 378.535 1.815 20 0 GDADRO CN(CCOCC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000862485780 655846901 /nfs/dbraw/zinc/84/69/01/655846901.db2.gz RAXJZYZAINAESK-GJZGRUSLSA-N 1 0 378.535 1.815 20 0 GDADRO CON(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000863586412 655876787 /nfs/dbraw/zinc/87/67/87/655876787.db2.gz GQFHMQHXKOCIDA-KOLCDFICSA-N 1 0 395.681 1.840 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2c(Br)nc3n2CCOC3)C12CCC2 ZINC000864070006 655889255 /nfs/dbraw/zinc/88/92/55/655889255.db2.gz KZPUHKDWZIYNIT-MNOVXSKESA-N 1 0 383.290 1.778 20 0 GDADRO Cn1nc(I)cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000864069264 655889272 /nfs/dbraw/zinc/88/92/72/655889272.db2.gz ZELVFBXCRSSKAH-JTQLQIEISA-N 1 0 390.269 1.875 20 0 GDADRO CC(C)n1ncc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1I ZINC000864962749 655909160 /nfs/dbraw/zinc/90/91/60/655909160.db2.gz OZPUDWGUPMRCIG-JTQLQIEISA-N 1 0 376.242 1.750 20 0 GDADRO CC[NH+]1CCC(N(C)C(=O)c2cc(I)nn2C)CC1 ZINC000865123916 655912780 /nfs/dbraw/zinc/91/27/80/655912780.db2.gz XGEHPYWWSAGQGX-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000865481094 655920451 /nfs/dbraw/zinc/92/04/51/655920451.db2.gz LLTCGWYHXCPHAM-BDJLRTHQSA-N 1 0 397.273 1.663 20 0 GDADRO O=S(=O)(Cc1ccon1)NCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865485134 655920568 /nfs/dbraw/zinc/92/05/68/655920568.db2.gz MTIJILHGBWPOQL-UHFFFAOYSA-N 1 0 379.360 1.624 20 0 GDADRO NS(=O)(=O)c1cc(Br)ccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000865485440 655920623 /nfs/dbraw/zinc/92/06/23/655920623.db2.gz RIKHJSUMXHBROZ-RYUDHWBXSA-N 1 0 390.303 1.372 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000865583611 655922357 /nfs/dbraw/zinc/92/23/57/655922357.db2.gz FVFOQPOCBYKBHL-CVEARBPZSA-N 1 0 398.301 1.463 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)n1 ZINC000865748050 655925880 /nfs/dbraw/zinc/92/58/80/655925880.db2.gz YZKWMDUZFNSAAL-VXGBXAGGSA-N 1 0 389.294 1.643 20 0 GDADRO O=C1COC[C@@]2(C[NH2+]Cc3c(Cl)cccc3OC(F)F)COCCN12 ZINC000865798837 655927215 /nfs/dbraw/zinc/92/72/15/655927215.db2.gz ZNTOEILLEPAEDJ-MRXNPFEDSA-N 1 0 376.787 1.659 20 0 GDADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)no1 ZINC000865941828 655930871 /nfs/dbraw/zinc/93/08/71/655930871.db2.gz JBXJWMQDOUYNPG-MRXNPFEDSA-N 1 0 380.242 1.804 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(I)nn2C)C1 ZINC000866191471 655935704 /nfs/dbraw/zinc/93/57/04/655935704.db2.gz GSKHYMYPVABGTI-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000866215223 655936225 /nfs/dbraw/zinc/93/62/25/655936225.db2.gz WODAWEVEASWZEI-UHFFFAOYSA-N 1 0 394.321 1.342 20 0 GDADRO O=C(c1cc(Br)cn2ccnc12)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866380558 655939027 /nfs/dbraw/zinc/93/90/27/655939027.db2.gz HWJUIVLUTRFDKF-CYBMUJFWSA-N 1 0 393.285 1.891 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(Br)cc2F)CC1 ZINC000866395389 655939934 /nfs/dbraw/zinc/93/99/34/655939934.db2.gz RXUDHEHIBGHLLD-UHFFFAOYSA-N 1 0 395.294 1.934 20 0 GDADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cnn(C)c2Br)CC1 ZINC000866592672 655950885 /nfs/dbraw/zinc/95/08/85/655950885.db2.gz RORATTWZBPLOJK-UHFFFAOYSA-N 1 0 379.324 1.678 20 0 GDADRO O=S(=O)(N=S1(=O)CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866597919 655951298 /nfs/dbraw/zinc/95/12/98/655951298.db2.gz JQNLXZMAODZVNB-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/96/21/51/655962151.db2.gz HMYKELZKRIYPII-VXGBXAGGSA-N 1 0 385.287 1.596 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)c(Br)c1 ZINC000866805294 655965653 /nfs/dbraw/zinc/96/56/53/655965653.db2.gz BWAUJUWFZXKOMW-JGZJWPJOSA-N 1 0 391.287 1.641 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)C1CC[NH2+]CC1 ZINC000866811658 655966330 /nfs/dbraw/zinc/96/63/30/655966330.db2.gz GKDIVIHNONUDNP-LLVKDONJSA-N 1 0 394.946 1.551 20 0 GDADRO COCCC1(NS(=O)(=O)c2cc(Cl)cc(COC)c2)CC[NH2+]CC1 ZINC000866821439 655967138 /nfs/dbraw/zinc/96/71/38/655967138.db2.gz FADNNDFIMPQCPN-UHFFFAOYSA-N 1 0 376.906 1.923 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)C(F)(F)F ZINC000866823652 655967251 /nfs/dbraw/zinc/96/72/51/655967251.db2.gz OMFDXRYZWANNSM-PWSUYJOCSA-N 1 0 377.388 1.702 20 0 GDADRO C[S@@](=O)(=NS(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1F ZINC000866855090 655970718 /nfs/dbraw/zinc/97/07/18/655970718.db2.gz WSEBUGHUOCOAGO-BSEYFRJRSA-N 1 0 389.518 1.945 20 0 GDADRO CC(C)[C@@H](CNS(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)N1CC[NH+](C)CC1 ZINC000866873274 655972363 /nfs/dbraw/zinc/97/23/63/655972363.db2.gz QSIKAWVKVCIFFH-ZIAGYGMSSA-N 1 0 386.389 1.762 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cn(C)nc1Br ZINC000866882580 655973366 /nfs/dbraw/zinc/97/33/66/655973366.db2.gz SCHWZTGFDLCFNW-LLVKDONJSA-N 1 0 379.324 1.678 20 0 GDADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cn(C)nc1Br ZINC000866940738 655979481 /nfs/dbraw/zinc/97/94/81/655979481.db2.gz UUPHLXMPZDYQGJ-TUAOUCFPSA-N 1 0 393.351 1.827 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000866974769 655983482 /nfs/dbraw/zinc/98/34/82/655983482.db2.gz ZKLRWMGXZUJQQG-OCCSQVGLSA-N 1 0 398.356 1.139 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000867089832 655994389 /nfs/dbraw/zinc/99/43/89/655994389.db2.gz MMADIJNJIRDYCT-UHFFFAOYSA-N 1 0 383.392 1.044 20 0 GDADRO CCOC(=O)N1CCC[C@@H]([C@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000867127973 655999607 /nfs/dbraw/zinc/99/96/07/655999607.db2.gz YURMNVORUGXAOG-JKSUJKDBSA-N 1 0 375.535 1.649 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000867147615 656002377 /nfs/dbraw/zinc/00/23/77/656002377.db2.gz MEYGTPRJIHTUBU-LLVKDONJSA-N 1 0 381.329 1.693 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867288493 656031651 /nfs/dbraw/zinc/03/16/51/656031651.db2.gz UNNGNIJLFMILNA-ZBFHGGJFSA-N 1 0 394.313 1.960 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c(Br)o1 ZINC000867308073 656035353 /nfs/dbraw/zinc/03/53/53/656035353.db2.gz FXTKNGLNWIMCGS-BDAKNGLRSA-N 1 0 395.275 1.542 20 0 GDADRO Cn1ncc(S(=O)(=O)NCCCCC[NH+]2CCCC2)c1Br ZINC000867309224 656035713 /nfs/dbraw/zinc/03/57/13/656035713.db2.gz BKCJIXZVKWNADW-UHFFFAOYSA-N 1 0 379.324 1.727 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1Br ZINC000867308721 656035755 /nfs/dbraw/zinc/03/57/55/656035755.db2.gz MFWVLUHAPARLFA-CYBMUJFWSA-N 1 0 377.308 1.289 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000867374856 656048283 /nfs/dbraw/zinc/04/82/83/656048283.db2.gz OUPCWOAEGGNZKN-LLVKDONJSA-N 1 0 377.304 1.829 20 0 GDADRO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(F)c(F)c(C(=O)OC)c2)[C@H](C)C1 ZINC000867396543 656051874 /nfs/dbraw/zinc/05/18/74/656051874.db2.gz XVYONBCFYLKEIO-LLVKDONJSA-N 1 0 376.425 1.856 20 0 GDADRO Cn1ncc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1Br ZINC000867487425 656069219 /nfs/dbraw/zinc/06/92/19/656069219.db2.gz JNZTWDBEUDZPKS-GHMZBOCLSA-N 1 0 377.308 1.478 20 0 GDADRO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(Br)n1 ZINC000867517972 656074936 /nfs/dbraw/zinc/07/49/36/656074936.db2.gz WSIHIKPSRSVBNJ-LLVKDONJSA-N 1 0 391.335 1.868 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cn2)C1 ZINC000867550445 656082029 /nfs/dbraw/zinc/08/20/29/656082029.db2.gz LFGAYSWSDFNNEX-GFCCVEGCSA-N 1 0 383.290 1.261 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3csc(C(F)(F)F)c3)CC[C@H]21 ZINC000867798822 656117816 /nfs/dbraw/zinc/11/78/16/656117816.db2.gz HWCQGSBLWNLTNP-NWDGAFQWSA-N 1 0 375.416 1.936 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[C@](C)(C[NH3+])C2)c1I ZINC000867972815 656136379 /nfs/dbraw/zinc/13/63/79/656136379.db2.gz KRLZFEOCMBOZMD-CYBMUJFWSA-N 1 0 376.242 1.880 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)O1 ZINC000867979149 656136553 /nfs/dbraw/zinc/13/65/53/656136553.db2.gz GAAAPOQCZUXWMM-RDBSUJKOSA-N 1 0 384.274 1.201 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2F)CC[NH2+]CC1 ZINC000868000041 656137326 /nfs/dbraw/zinc/13/73/26/656137326.db2.gz UGNKXGDBBVOJRU-UHFFFAOYSA-N 1 0 383.272 1.916 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@](C)([NH3+])C2)ccc1Br ZINC000868071974 656139427 /nfs/dbraw/zinc/13/94/27/656139427.db2.gz JKVKPFKJHBPOPT-CQSZACIVSA-N 1 0 390.303 1.263 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@](C)([NH3+])C2)ccc1Br ZINC000868071973 656139446 /nfs/dbraw/zinc/13/94/46/656139446.db2.gz JKVKPFKJHBPOPT-AWEZNQCLSA-N 1 0 390.303 1.263 20 0 GDADRO CC(C)[NH+]1CCC(CCNC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000868217880 656144466 /nfs/dbraw/zinc/14/44/66/656144466.db2.gz VTBFJHLXQMPEBZ-UHFFFAOYSA-N 1 0 376.567 1.514 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000868247683 656146039 /nfs/dbraw/zinc/14/60/39/656146039.db2.gz FRDUSWPCGKKTAD-DRZSPHRISA-N 1 0 396.285 1.982 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000868249226 656146200 /nfs/dbraw/zinc/14/62/00/656146200.db2.gz WNXHHWKXJFOBLI-MRXNPFEDSA-N 1 0 384.274 1.902 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000868254300 656146685 /nfs/dbraw/zinc/14/66/85/656146685.db2.gz VRIKKFYWSQTIAI-UHFFFAOYSA-N 1 0 382.258 1.822 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)cc1Br ZINC000868290068 656149330 /nfs/dbraw/zinc/14/93/30/656149330.db2.gz WLXCGEOMUQIADT-UHFFFAOYSA-N 1 0 382.258 1.879 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c2cc(Br)ccc21 ZINC000868303668 656149997 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O=C(c1ccc(Cl)cc1F)N1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923604750 656576114 /nfs/dbraw/zinc/57/61/14/656576114.db2.gz WQOWAOHQCBPHNN-CYBMUJFWSA-N 1 0 389.880 1.319 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923627351 656578320 /nfs/dbraw/zinc/57/83/20/656578320.db2.gz QWWXXEPSMPRBFV-LBPRGKRZSA-N 1 0 375.878 1.349 20 0 GDADRO O=C1[C@@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)CCN1c1ccc(Cl)c(F)c1 ZINC000923636442 656578931 /nfs/dbraw/zinc/57/89/31/656578931.db2.gz YFIBMVDMVDBWKS-FZMZJTMJSA-N 1 0 375.853 1.256 20 0 GDADRO CN1CC[C@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000923636420 656579014 /nfs/dbraw/zinc/57/90/14/656579014.db2.gz XOCUDGBOEMHDEA-CZUORRHYSA-N 1 0 390.912 1.212 20 0 GDADRO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000923635791 656579022 /nfs/dbraw/zinc/57/90/22/656579022.db2.gz SHCLTKTVMBIENK-GJZGRUSLSA-N 1 0 376.425 1.743 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccc(Br)cn1 ZINC000876215142 656579564 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GDADRO [NH3+]CC[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C1 ZINC000923694173 656590344 /nfs/dbraw/zinc/59/03/44/656590344.db2.gz AUDQUYXRTCBQRT-LLVKDONJSA-N 1 0 379.404 1.338 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@H](CC[NH3+])C2)cc1Br ZINC000923697967 656592654 /nfs/dbraw/zinc/59/26/54/656592654.db2.gz VQKRNZWAVYKVPD-JTQLQIEISA-N 1 0 393.303 1.826 20 0 GDADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000923700225 656593146 /nfs/dbraw/zinc/59/31/46/656593146.db2.gz SMZNONBMKMKUKO-JTQLQIEISA-N 1 0 386.417 1.340 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923713167 656594424 /nfs/dbraw/zinc/59/44/24/656594424.db2.gz RMZOYYDOKWSGCQ-WDEREUQCSA-N 1 0 392.262 1.521 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)ccc1Cl ZINC000923735205 656595891 /nfs/dbraw/zinc/59/58/91/656595891.db2.gz UIYSCHICALHMMP-OAHLLOKOSA-N 1 0 392.930 1.650 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000923735556 656595913 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382.302 1.847 20 0 GDADRO CC[N@H+](C)C[C@H](O)Cn1c(Br)nc(Br)c1C(=O)OC ZINC000876498597 656609778 /nfs/dbraw/zinc/60/97/78/656609778.db2.gz FHGRAVHKAPOYBZ-ZETCQYMHSA-N 1 0 399.083 1.507 20 0 GDADRO CC[N@H+](C)C[C@@H](O)Cn1c(Br)nc(Br)c1C(=O)OC ZINC000876498596 656609848 /nfs/dbraw/zinc/60/98/48/656609848.db2.gz FHGRAVHKAPOYBZ-SSDOTTSWSA-N 1 0 399.083 1.507 20 0 GDADRO Nc1cc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc(Br)n1 ZINC000876520804 656610969 /nfs/dbraw/zinc/61/09/69/656610969.db2.gz XWQZMLGOVCYORB-UHFFFAOYSA-N 1 0 377.246 1.483 20 0 GDADRO O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876567070 656614801 /nfs/dbraw/zinc/61/48/01/656614801.db2.gz BDORDPYUFYGMGL-CPCISQLKSA-N 1 0 379.745 1.965 20 0 GDADRO COC[C@@]1(C(=O)N[C@H](C)CCc2ccc(Br)cc2)C[NH2+]CCO1 ZINC000876616041 656617939 /nfs/dbraw/zinc/61/79/39/656617939.db2.gz PTFSXSGVXQQWLH-CXAGYDPISA-N 1 0 385.302 1.891 20 0 GDADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCNC(=O)c1cccc(Br)c1 ZINC000876637401 656620428 /nfs/dbraw/zinc/62/04/28/656620428.db2.gz NFDLQCDNXWKPQZ-YBJDMEARSA-N 1 0 380.286 1.851 20 0 GDADRO CN(C1CC[NH+](CC(C)(C)CNC(=O)OC(C)(C)C)CC1)S(C)(=O)=O ZINC000876640650 656620981 /nfs/dbraw/zinc/62/09/81/656620981.db2.gz AJKLHMHMEFTADS-UHFFFAOYSA-N 1 0 377.551 1.893 20 0 GDADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000876659111 656622196 /nfs/dbraw/zinc/62/21/96/656622196.db2.gz NPKCYVQKBRNAMN-PCAWENJQSA-N 1 0 383.436 1.220 20 0 GDADRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000876662471 656622997 /nfs/dbraw/zinc/62/29/97/656622997.db2.gz LQIVUPOETFTKME-LSDHHAIUSA-N 1 0 383.539 1.792 20 0 GDADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876664340 656623027 /nfs/dbraw/zinc/62/30/27/656623027.db2.gz SOWRRWLZGQJHRH-QMTHXVAHSA-N 1 0 378.853 1.650 20 0 GDADRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000876662470 656623038 /nfs/dbraw/zinc/62/30/38/656623038.db2.gz LQIVUPOETFTKME-HUUCEWRRSA-N 1 0 383.539 1.792 20 0 GDADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000876690186 656624197 /nfs/dbraw/zinc/62/41/97/656624197.db2.gz GYDWNPSZKIFREX-DJFCTDIJSA-N 1 0 383.286 1.717 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)Cn2ccc(Br)cc2=O)C[C@H]1c1ccccc1 ZINC000876839634 656634447 /nfs/dbraw/zinc/63/44/47/656634447.db2.gz ZDROAFANCXYFOV-ZBFHGGJFSA-N 1 0 390.281 1.812 20 0 GDADRO COC[C@@]1(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)C[NH2+]CCO1 ZINC000876888470 656637204 /nfs/dbraw/zinc/63/72/04/656637204.db2.gz DIVGHZYYYJDLDT-SUMWQHHRSA-N 1 0 388.295 1.693 20 0 GDADRO COC[C@@]1(C(=O)N2CCc3cc(Br)cc(C)c3C2)C[NH2+]CCO1 ZINC000876904828 656638665 /nfs/dbraw/zinc/63/86/65/656638665.db2.gz LQHSSWYAILPXAV-QGZVFWFLSA-N 1 0 383.286 1.647 20 0 GDADRO CCOC(=O)N1CCC(C)(C[NH2+]C2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000876922779 656640220 /nfs/dbraw/zinc/64/02/20/656640220.db2.gz LADLPBXPYKKKMO-UHFFFAOYSA-N 1 0 375.535 1.649 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)CCN1S(C)(=O)=O ZINC000876967793 656642885 /nfs/dbraw/zinc/64/28/85/656642885.db2.gz BXJDQKZQOHZLOD-MFKMUULPSA-N 1 0 379.404 1.198 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cccn2c(I)cnc12 ZINC000877004465 656645236 /nfs/dbraw/zinc/64/52/36/656645236.db2.gz JPHCFSNBDKQKCU-NSHDSACASA-N 1 0 396.232 1.953 20 0 GDADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000877040592 656648805 /nfs/dbraw/zinc/64/88/05/656648805.db2.gz DQXBOEPXKLNNGK-LBPRGKRZSA-N 1 0 379.258 1.661 20 0 GDADRO CC(C)(C)OC(=O)N1[C@@H](C[NH2+]CCS(=O)(=O)CC2CC2)COC1(C)C ZINC000877110393 656653626 /nfs/dbraw/zinc/65/36/26/656653626.db2.gz SSMPHVFFKDGGTG-AWEZNQCLSA-N 1 0 376.519 1.773 20 0 GDADRO O=C(C1CC[NH2+]CC1)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000877124007 656654745 /nfs/dbraw/zinc/65/47/45/656654745.db2.gz RFLBJGKXSDCQIH-UHFFFAOYSA-N 1 0 380.286 1.620 20 0 GDADRO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000877124030 656654831 /nfs/dbraw/zinc/65/48/31/656654831.db2.gz RYJMDEBDWPDDKD-AWEZNQCLSA-N 1 0 380.286 1.620 20 0 GDADRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000877123024 656654924 /nfs/dbraw/zinc/65/49/24/656654924.db2.gz DGNJBPCMNRWLDI-MAUKXSAKSA-N 1 0 392.297 1.620 20 0 GDADRO [NH3+]Cc1ccc(C(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)o1 ZINC000877124529 656655345 /nfs/dbraw/zinc/65/53/45/656655345.db2.gz XANPKNGTWPNAHX-UHFFFAOYSA-N 1 0 392.253 1.985 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877279641 656663473 /nfs/dbraw/zinc/66/34/73/656663473.db2.gz DCVHPGJYQHWRKU-KBPBESRZSA-N 1 0 387.299 1.576 20 0 GDADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280682 656663491 /nfs/dbraw/zinc/66/34/91/656663491.db2.gz IRMOEYCQJVMCTD-WFASDCNBSA-N 1 0 376.258 1.996 20 0 GDADRO C[C@@]([NH3+])(C(=O)N1CCC2(CCNC2=O)CC1)c1ccc(Br)cc1 ZINC000877295377 656664930 /nfs/dbraw/zinc/66/49/30/656664930.db2.gz NRCBPEIZLGCKJV-INIZCTEOSA-N 1 0 380.286 1.752 20 0 GDADRO N[C@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000877328907 656667314 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389.631 1.998 20 0 GDADRO CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877365296 656670494 /nfs/dbraw/zinc/67/04/94/656670494.db2.gz DHTVYJAXXMVIJW-DGCLKSJQSA-N 1 0 379.404 1.194 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877365845 656670905 /nfs/dbraw/zinc/67/09/05/656670905.db2.gz GRRPOFFPDFVUIH-JHJVBQTASA-N 1 0 385.452 1.176 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000877373252 656672283 /nfs/dbraw/zinc/67/22/83/656672283.db2.gz RSTLFOWCTPVQKD-ZUZCIYMTSA-N 1 0 392.308 1.340 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC000877496815 656676834 /nfs/dbraw/zinc/67/68/34/656676834.db2.gz ZFKAVNGRLVTPHN-UHFFFAOYSA-N 1 0 379.404 1.225 20 0 GDADRO CON(C)C(=O)C1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000877544696 656679634 /nfs/dbraw/zinc/67/96/34/656679634.db2.gz USYVQZLKZZGNOV-UHFFFAOYSA-N 1 0 382.262 1.724 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1nc(Cl)ccc1Br ZINC000877651733 656685452 /nfs/dbraw/zinc/68/54/52/656685452.db2.gz JZZYUQHYJCUDMA-LBPRGKRZSA-N 1 0 375.698 1.927 20 0 GDADRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000924989421 656690345 /nfs/dbraw/zinc/69/03/45/656690345.db2.gz VBFDKVMUYZDADD-CVEARBPZSA-N 1 0 397.313 1.679 20 0 GDADRO COC(=O)CN1CCC([NH2+][C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000877758983 656690487 /nfs/dbraw/zinc/69/04/87/656690487.db2.gz PSMPZSMWACRCDB-ZDUSSCGKSA-N 1 0 383.286 1.980 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)/C=C\c1ccc(I)o1 ZINC000924994496 656691198 /nfs/dbraw/zinc/69/11/98/656691198.db2.gz ZIVLIKMXBRGXHF-NFXDQBBPSA-N 1 0 376.194 1.079 20 0 GDADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1c(I)cnn1C ZINC000877776576 656692237 /nfs/dbraw/zinc/69/22/37/656692237.db2.gz PWONDPUBXYYNMD-NXEZZACHSA-N 1 0 376.242 1.562 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000925153954 656696286 /nfs/dbraw/zinc/69/62/86/656696286.db2.gz GFIJBFPXYIJNNY-RDBSUJKOSA-N 1 0 381.464 1.911 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000925153948 656696387 /nfs/dbraw/zinc/69/63/87/656696387.db2.gz GFIJBFPXYIJNNY-HZSPNIEDSA-N 1 0 381.464 1.911 20 0 GDADRO CC(C)C[NH+]1CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 ZINC000877892917 656696368 /nfs/dbraw/zinc/69/63/68/656696368.db2.gz HBAYWSAEVRDEQW-AWEZNQCLSA-N 1 0 385.555 1.388 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)N(CCO)CCOCC(F)(F)F ZINC000925152070 656696498 /nfs/dbraw/zinc/69/64/98/656696498.db2.gz MTTVLXXFJMKPRL-QWHCGFSZSA-N 1 0 385.452 1.149 20 0 GDADRO O=S(=O)(NC1CC[NH+](C[C@@H](O)CC2(O)CCCC2)CC1)c1cccs1 ZINC000877914085 656697339 /nfs/dbraw/zinc/69/73/39/656697339.db2.gz ZZVZMCFUYCZHOM-HNNXBMFYSA-N 1 0 388.555 1.547 20 0 GDADRO O=S(=O)(NC1CC[NH+](C[C@H](O)CC2(O)CCCC2)CC1)c1cccs1 ZINC000877914086 656697402 /nfs/dbraw/zinc/69/74/02/656697402.db2.gz ZZVZMCFUYCZHOM-OAHLLOKOSA-N 1 0 388.555 1.547 20 0 GDADRO O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)NCCC[NH+]1CCCCC1 ZINC000877982307 656700410 /nfs/dbraw/zinc/70/04/10/656700410.db2.gz OWWHRCQJKRIGCL-AWEZNQCLSA-N 1 0 385.555 1.580 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)NC2CC[NH+](C3CC3)CC2)cs1)C(N)=O ZINC000878043123 656703179 /nfs/dbraw/zinc/70/31/79/656703179.db2.gz RBXNRBUBDALONX-AWEZNQCLSA-N 1 0 382.555 1.785 20 0 GDADRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000925394145 656709572 /nfs/dbraw/zinc/70/95/72/656709572.db2.gz NCGZSAMBSLGNNI-ZDUSSCGKSA-N 1 0 386.905 1.060 20 0 GDADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cn1 ZINC000925608347 656715304 /nfs/dbraw/zinc/71/53/04/656715304.db2.gz WHQAHMPMMFCKCT-ARFHVFGLSA-N 1 0 383.539 1.617 20 0 GDADRO NS(=O)(=O)CC1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000878314820 656718089 /nfs/dbraw/zinc/71/80/89/656718089.db2.gz WUTAGLLOWGNDQC-CQSZACIVSA-N 1 0 377.304 1.483 20 0 GDADRO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cc(Br)ncc1F ZINC000925789122 656719688 /nfs/dbraw/zinc/71/96/88/656719688.db2.gz OXMFCYXTCZEOSA-VHSXEESVSA-N 1 0 380.283 1.411 20 0 GDADRO COC[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000925800708 656722293 /nfs/dbraw/zinc/72/22/93/656722293.db2.gz WKJSUDBTZUGQNZ-GJZGRUSLSA-N 1 0 380.432 1.759 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c1=O ZINC000926057981 656732406 /nfs/dbraw/zinc/73/24/06/656732406.db2.gz DUCJUUBSADKRBJ-LBPRGKRZSA-N 1 0 399.289 1.510 20 0 GDADRO Cn1cc(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)cc(Br)c1=O ZINC000926064757 656733108 /nfs/dbraw/zinc/73/31/08/656733108.db2.gz NGWPPEDSHCIYEP-GFCCVEGCSA-N 1 0 399.289 1.428 20 0 GDADRO Cn1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc(Br)c1=O ZINC000926064880 656733123 /nfs/dbraw/zinc/73/31/23/656733123.db2.gz NZIRSPZAKGTLLB-WCBMZHEXSA-N 1 0 397.195 1.891 20 0 GDADRO O=C(NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)Nc1cccc(Br)n1 ZINC000926091454 656735482 /nfs/dbraw/zinc/73/54/82/656735482.db2.gz PGMSZXKIAXSZJR-JTQLQIEISA-N 1 0 383.246 1.651 20 0 GDADRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)NCc2cnc(C)s2)C1 ZINC000878604606 656736670 /nfs/dbraw/zinc/73/66/70/656736670.db2.gz VOUXQJWXCJFDEC-AWEZNQCLSA-N 1 0 379.404 1.885 20 0 GDADRO CCn1c(Br)ncc1C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926138991 656738326 /nfs/dbraw/zinc/73/83/26/656738326.db2.gz BQAHELMGVZXIBH-MBMVNNNZSA-N 1 0 399.333 1.875 20 0 GDADRO [NH3+]Cc1ccc(NC(=O)N2CCn3ncc(I)c3C2)cc1 ZINC000926159121 656738965 /nfs/dbraw/zinc/73/89/65/656738965.db2.gz IHWPLUMJTWWEAV-UHFFFAOYSA-N 1 0 397.220 1.994 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)Cn3cc(Br)cn3)C2)[C@H]1C(C)C ZINC000926253466 656742521 /nfs/dbraw/zinc/74/25/21/656742521.db2.gz DWNSNDCGWPOQSV-SRABZTEZSA-N 1 0 399.333 1.632 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC[C@@H]1C[NH3+] ZINC000926355086 656749420 /nfs/dbraw/zinc/74/94/20/656749420.db2.gz CCBCLIMQRZPJJB-TZMCWYRMSA-N 1 0 394.313 1.777 20 0 GDADRO O=C(CN1CCCCS1(=O)=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000878820194 656750948 /nfs/dbraw/zinc/75/09/48/656750948.db2.gz MURVEMDPEWYCAL-UHFFFAOYSA-N 1 0 389.587 1.280 20 0 GDADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000926381674 656751059 /nfs/dbraw/zinc/75/10/59/656751059.db2.gz VMOUOXAWPQXJRK-IUODEOHRSA-N 1 0 395.301 1.705 20 0 GDADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000926407322 656753058 /nfs/dbraw/zinc/75/30/58/656753058.db2.gz CGUZCGVCRUGFCL-GHMZBOCLSA-N 1 0 394.324 1.919 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)C1 ZINC000926431549 656754105 /nfs/dbraw/zinc/75/41/05/656754105.db2.gz ILTSNWMLOCNCHJ-PWSUYJOCSA-N 1 0 398.276 1.669 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC000926433621 656754778 /nfs/dbraw/zinc/75/47/78/656754778.db2.gz WSWBEYVSRVDBFR-UHFFFAOYSA-N 1 0 386.265 1.669 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000926511656 656759436 /nfs/dbraw/zinc/75/94/36/656759436.db2.gz BUWJSIZIWPDKSG-KBPBESRZSA-N 1 0 375.535 1.836 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1nn(C)cc1I ZINC000878988619 656765648 /nfs/dbraw/zinc/76/56/48/656765648.db2.gz WSGKNSKKIKFQTR-NSHDSACASA-N 1 0 390.269 1.971 20 0 GDADRO CC(C)(C)OC(=O)NCC1CC([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000926758259 656779128 /nfs/dbraw/zinc/77/91/28/656779128.db2.gz VKAXDWRUCDOVQE-NEXFUWMNSA-N 1 0 375.535 1.740 20 0 GDADRO Cn1cc(C(=O)NC[C@H]2CCCN2C[C@H](O)c2cc(Br)no2)cn1 ZINC000879188483 656780877 /nfs/dbraw/zinc/78/08/77/656780877.db2.gz MOMIXFKOIOVRNC-NEPJUHHUSA-N 1 0 398.261 1.098 20 0 GDADRO CCO[C@@H](CNC(=O)NCC1(n2cc(Br)cn2)CC1)C[NH+](C)C ZINC000926848713 656780967 /nfs/dbraw/zinc/78/09/67/656780967.db2.gz DPCFVZVGWGTDPH-ZDUSSCGKSA-N 1 0 388.310 1.401 20 0 GDADRO CO[C@@]1(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)CCS(=O)(=O)C1 ZINC000926898921 656781851 /nfs/dbraw/zinc/78/18/51/656781851.db2.gz NLMZVWDZUHROOO-CXAGYDPISA-N 1 0 376.519 1.568 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000879223267 656783285 /nfs/dbraw/zinc/78/32/85/656783285.db2.gz STVFDTDXXHIHDE-KFWWJZLASA-N 1 0 375.535 1.646 20 0 GDADRO CS[C@@H]1CN(C(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)C[C@@H]1[NH+](C)C ZINC000879308453 656787187 /nfs/dbraw/zinc/78/71/87/656787187.db2.gz OTGYTSXTQBUVBA-ZMLRMANQSA-N 1 0 388.584 1.156 20 0 GDADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927024147 656787272 /nfs/dbraw/zinc/78/72/72/656787272.db2.gz BANBBUIDLXZUHS-GWCFXTLKSA-N 1 0 393.303 1.161 20 0 GDADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000927028397 656787850 /nfs/dbraw/zinc/78/78/50/656787850.db2.gz JKYORQOXQWLYQQ-RBSFLKMASA-N 1 0 392.315 1.664 20 0 GDADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000927031929 656788385 /nfs/dbraw/zinc/78/83/85/656788385.db2.gz JXRMPEBIDYFASP-PWSUYJOCSA-N 1 0 380.329 1.981 20 0 GDADRO COCCC[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(Br)cc1 ZINC000927035602 656788849 /nfs/dbraw/zinc/78/88/49/656788849.db2.gz ZUTPSGKHZMAHGU-GJZGRUSLSA-N 1 0 394.331 1.912 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C[C@H]1C ZINC000879346984 656788871 /nfs/dbraw/zinc/78/88/71/656788871.db2.gz MVQUKBVQBXNJHM-HZSPNIEDSA-N 1 0 385.555 1.529 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cs1)C(N)=O ZINC000879347240 656789368 /nfs/dbraw/zinc/78/93/68/656789368.db2.gz QCPRGKNYBALAOM-BZPMIXESSA-N 1 0 384.571 1.983 20 0 GDADRO OC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H]1CO ZINC000879364710 656789831 /nfs/dbraw/zinc/78/98/31/656789831.db2.gz MEBXCFBHGUARHL-SGIREYDYSA-N 1 0 392.265 1.393 20 0 GDADRO CN(C)c1cc[nH+]c(NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)c1 ZINC000879450855 656795706 /nfs/dbraw/zinc/79/57/06/656795706.db2.gz OPAYAGHYPQMFOI-NSHDSACASA-N 1 0 380.495 1.687 20 0 GDADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531194 656801894 /nfs/dbraw/zinc/80/18/94/656801894.db2.gz YXQGYEHCMKBYJR-TXEJJXNPSA-N 1 0 384.263 1.498 20 0 GDADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 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UFFQEAUJSSSDDE-ZDUSSCGKSA-N 1 0 385.306 1.296 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000927808685 656840501 /nfs/dbraw/zinc/84/05/01/656840501.db2.gz FVDRTMBFIHOYAR-HTRCEHHLSA-N 1 0 395.179 1.526 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000927809506 656840507 /nfs/dbraw/zinc/84/05/07/656840507.db2.gz MIASGPROQYGTCX-PRHODGIISA-N 1 0 388.237 1.650 20 0 GDADRO Cn1nnnc1C1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000879915948 656840704 /nfs/dbraw/zinc/84/07/04/656840704.db2.gz UFKQBPFMDGOCRL-CQSZACIVSA-N 1 0 396.289 1.592 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000927810260 656840649 /nfs/dbraw/zinc/84/06/49/656840649.db2.gz VZWLSSYXRMKKCR-ZWNOBZJWSA-N 1 0 392.257 1.297 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000927815185 656841578 /nfs/dbraw/zinc/84/15/78/656841578.db2.gz UQNCWBIEFLATSB-BXKDBHETSA-N 1 0 387.221 1.262 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000927814648 656841658 /nfs/dbraw/zinc/84/16/58/656841658.db2.gz HJIQIPRCOYUXSG-MNOVXSKESA-N 1 0 391.269 1.908 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)c(Br)c1 ZINC000927839399 656842883 /nfs/dbraw/zinc/84/28/83/656842883.db2.gz PQAAHYBHMJHKGI-UHFFFAOYSA-N 1 0 383.290 1.235 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000927841982 656843422 /nfs/dbraw/zinc/84/34/22/656843422.db2.gz KCNWLGZLBPUPGB-HTQZYQBOSA-N 1 0 395.179 1.439 20 0 GDADRO CSc1c(F)cc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1F ZINC000927842755 656844056 /nfs/dbraw/zinc/84/40/56/656844056.db2.gz QWHQYPZVIJFKCW-GMSGAONNSA-N 1 0 383.342 1.973 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)c(Br)c1 ZINC000927845518 656844300 /nfs/dbraw/zinc/84/43/00/656844300.db2.gz YDQQCTCQCGXFNR-UHFFFAOYSA-N 1 0 397.317 1.544 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000927881246 656849055 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O=C(CNC(=O)c1c(F)cccc1Cl)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928090092 656869135 /nfs/dbraw/zinc/86/91/35/656869135.db2.gz MGENWQOKMKOXHL-KBPBESRZSA-N 1 0 385.892 1.905 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928092224 656870159 /nfs/dbraw/zinc/87/01/59/656870159.db2.gz HAKQHROLTIZTKW-XHSDSOJGSA-N 1 0 389.587 1.277 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000928097840 656872415 /nfs/dbraw/zinc/87/24/15/656872415.db2.gz MTFDYLFLJDUAJM-OAGGEKHMSA-N 1 0 383.583 1.774 20 0 GDADRO O=C(CN1C(=S)N=NC1c1cccs1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928099278 656872950 /nfs/dbraw/zinc/87/29/50/656872950.db2.gz SRKIAGZRJZRXJC-RYUDHWBXSA-N 1 0 395.579 1.991 20 0 GDADRO CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000928100060 656873588 /nfs/dbraw/zinc/87/35/88/656873588.db2.gz VUOTYLHNTSWXHA-CVEARBPZSA-N 1 0 383.539 1.294 20 0 GDADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000880227808 656877320 /nfs/dbraw/zinc/87/73/20/656877320.db2.gz XCAANBYNQAIBRM-ZFWWWQNUSA-N 1 0 385.555 1.530 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CC[NH+]([C@@H](C)CC)CC2)cs1)C(N)=O ZINC000880231733 656878008 /nfs/dbraw/zinc/87/80/08/656878008.db2.gz XAIOTBGUGITZRR-GXTWGEPZSA-N 1 0 384.571 1.984 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cs1)C(N)=O ZINC000880348523 656885385 /nfs/dbraw/zinc/88/53/85/656885385.db2.gz APXQKBFQSZZKPF-YUTCNCBUSA-N 1 0 382.555 1.594 20 0 GDADRO C[NH+]1CCC(n2cc(NC(=O)NCCS(=O)(=O)C(F)(F)F)cn2)CC1 ZINC000880378335 656886007 /nfs/dbraw/zinc/88/60/07/656886007.db2.gz BIZHPACNGOQWCB-UHFFFAOYSA-N 1 0 383.396 1.206 20 0 GDADRO C[C@H](Sc1nc(CC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cs1)C(N)=O ZINC000880855101 656911404 /nfs/dbraw/zinc/91/14/04/656911404.db2.gz XHHKYIXHGJAEPI-SMDDNHRTSA-N 1 0 382.555 1.785 20 0 GDADRO CCCNC(=O)Cc1csc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)n1 ZINC000880904209 656912321 /nfs/dbraw/zinc/91/23/21/656912321.db2.gz PRCPLHKLNYCVDE-MRXNPFEDSA-N 1 0 385.559 1.771 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928570927 656917224 /nfs/dbraw/zinc/91/72/24/656917224.db2.gz YVTBGHIODFGPTA-GXTWGEPZSA-N 1 0 389.518 1.046 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)C[C@H]1C ZINC000881118172 656919439 /nfs/dbraw/zinc/91/94/39/656919439.db2.gz XAEMGOOZSPBLAS-VXGBXAGGSA-N 1 0 386.543 1.951 20 0 GDADRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)N=[S@](C)(=O)N(C)C)CC1 ZINC000881795094 656960552 /nfs/dbraw/zinc/96/05/52/656960552.db2.gz AZIDAYWZHOAUOE-DEOSSOPVSA-N 1 0 388.559 1.368 20 0 GDADRO Brc1nnc2ccc(N3CCC[N@H+](C[C@H]4CCCO4)CC3)nn12 ZINC000881795076 656960603 /nfs/dbraw/zinc/96/06/03/656960603.db2.gz ADXJSZDYYCNNRI-GFCCVEGCSA-N 1 0 381.278 1.578 20 0 GDADRO C[NH+]1CCN(CCNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000929581566 656973710 /nfs/dbraw/zinc/97/37/10/656973710.db2.gz LPNUZKVEIVEPRC-CYBMUJFWSA-N 1 0 395.301 1.239 20 0 GDADRO CC(C)OC1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000929598780 656974337 /nfs/dbraw/zinc/97/43/37/656974337.db2.gz DLIONQBQWGAONF-INIZCTEOSA-N 1 0 376.563 1.877 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(=O)n(C)cc2Br)C[C@H](C)O1 ZINC000929630634 656976149 /nfs/dbraw/zinc/97/61/49/656976149.db2.gz JZYDLNVSOGDGKD-RYUDHWBXSA-N 1 0 386.290 1.377 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C ZINC000881931950 656995935 /nfs/dbraw/zinc/99/59/35/656995935.db2.gz CYBAQNWMJVEGFX-BEWRWRNKSA-N 1 0 388.559 1.507 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2ccc(Br)nc2N)CC1 ZINC000930073263 656998601 /nfs/dbraw/zinc/99/86/01/656998601.db2.gz YEDSRAFCXJUROE-CYBMUJFWSA-N 1 0 382.306 1.340 20 0 GDADRO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)C1 ZINC000930177984 657006254 /nfs/dbraw/zinc/00/62/54/657006254.db2.gz RNOVQTOMIQGLMO-KFWWJZLASA-N 1 0 375.535 1.503 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000930215044 657008339 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376.548 1.509 20 0 GDADRO Cc1ccccc1[C@H]([C@H](C)NS(=O)(=O)N=[S@@](C)(=O)N(C)C)[NH+](C)C ZINC000882116120 657046663 /nfs/dbraw/zinc/04/66/63/657046663.db2.gz MGJXTFQOBGUPJI-VXOUBLIBSA-N 1 0 376.548 1.395 20 0 GDADRO C[C@@H](CO)C1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000930856439 657055748 /nfs/dbraw/zinc/05/57/48/657055748.db2.gz MXRBEOUPKRDYDG-GOEBONIOSA-N 1 0 376.563 1.328 20 0 GDADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(S(N)(=O)=O)oc1Cl ZINC000930981978 657063476 /nfs/dbraw/zinc/06/34/76/657063476.db2.gz ZQGKFCYESUTRIJ-UHFFFAOYSA-N 1 0 385.873 1.784 20 0 GDADRO Cc1nccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1Br ZINC000931017192 657065754 /nfs/dbraw/zinc/06/57/54/657065754.db2.gz NDVSOKSZVPJPAJ-ZIAGYGMSSA-N 1 0 383.290 1.637 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1ccccc1 ZINC000882236216 657079119 /nfs/dbraw/zinc/07/91/19/657079119.db2.gz CIADXRTUNVAQIE-XMMPIXPASA-N 1 0 390.575 1.945 20 0 GDADRO Cn1[nH]c(=O)c2c1C[N@H+](C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000931200561 657080507 /nfs/dbraw/zinc/08/05/07/657080507.db2.gz YVNGPXRVEYEOMO-LBPRGKRZSA-N 1 0 382.258 1.686 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000882243281 657081964 /nfs/dbraw/zinc/08/19/64/657081964.db2.gz WZVUZGZSVHCFOT-CYBMUJFWSA-N 1 0 386.389 1.906 20 0 GDADRO NS(=O)(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000931229313 657084017 /nfs/dbraw/zinc/08/40/17/657084017.db2.gz NLUDHMBWQPDMNO-KGLIPLIRSA-N 1 0 380.432 1.752 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)CCC1 ZINC000931547166 657106731 /nfs/dbraw/zinc/10/67/31/657106731.db2.gz CWWZUKJJRFDGNV-QLFBSQMISA-N 1 0 376.588 1.673 20 0 GDADRO C[N@H+](CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)CCS(N)(=O)=O ZINC000931617668 657112387 /nfs/dbraw/zinc/11/23/87/657112387.db2.gz LXYVWZMFMVHWFP-GOOCMWNKSA-N 1 0 375.535 1.775 20 0 GDADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cnn(C)c1Br ZINC000882431920 657119795 /nfs/dbraw/zinc/11/97/95/657119795.db2.gz 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381.757 1.691 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884520119 657362731 /nfs/dbraw/zinc/36/27/31/657362731.db2.gz NGFNMYCBNTVKSV-KBPBESRZSA-N 1 0 396.285 1.427 20 0 GDADRO C[C@@](CO)([NH2+]C[C@H](O)CC1(O)CCOCC1)c1cccc(Br)c1 ZINC000934494528 657363291 /nfs/dbraw/zinc/36/32/91/657363291.db2.gz KABREIXAZKIXSK-CVEARBPZSA-N 1 0 388.302 1.539 20 0 GDADRO CCS[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884534463 657363586 /nfs/dbraw/zinc/36/35/86/657363586.db2.gz HWENOOYDEUHYLE-YVECIDJPSA-N 1 0 381.464 1.763 20 0 GDADRO C[C@](CO)([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1cccc(Br)c1 ZINC000934497433 657364044 /nfs/dbraw/zinc/36/40/44/657364044.db2.gz LMJCKQBJTHDPSS-BRWVUGGUSA-N 1 0 388.302 1.803 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884562616 657364479 /nfs/dbraw/zinc/36/44/79/657364479.db2.gz FWGSCLHMPDEKBQ-UONOGXRCSA-N 1 0 396.285 1.427 20 0 GDADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1 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IXUOAIWIXLACPH-AWEZNQCLSA-N 1 0 384.274 1.121 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)NCCc1sccc1Br)c1ccccc1 ZINC000884690493 657372796 /nfs/dbraw/zinc/37/27/96/657372796.db2.gz BRZOQMSHRKILDL-CYBMUJFWSA-N 1 0 396.310 1.986 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000884691303 657372932 /nfs/dbraw/zinc/37/29/32/657372932.db2.gz DBYFPUFODTUZDI-JTQLQIEISA-N 1 0 375.803 1.673 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000884691304 657372954 /nfs/dbraw/zinc/37/29/54/657372954.db2.gz DBYFPUFODTUZDI-SNVBAGLBSA-N 1 0 375.803 1.673 20 0 GDADRO O=C(NCc1ccc2ccc(Br)cc2c1)C(=O)NCC1C[NH2+]C1 ZINC000884693454 657373499 /nfs/dbraw/zinc/37/34/99/657373499.db2.gz ABNLFOMBQCZFBW-UHFFFAOYSA-N 1 0 376.254 1.554 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ncc(Br)s1)C1CCCCC1 ZINC000884699752 657373531 /nfs/dbraw/zinc/37/35/31/657373531.db2.gz HOBAPBWFZFDKMC-SNVBAGLBSA-N 1 0 389.319 1.546 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1ncc(Br)s1)C1CCCCC1 ZINC000884699751 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O=C1CCc2cc(S(=O)(=O)NC[C@H]3C[NH2+]CCC3(F)F)c(F)cc2N1 ZINC000886896472 657722483 /nfs/dbraw/zinc/72/24/83/657722483.db2.gz KKOWAYPFBZKLAB-SNVBAGLBSA-N 1 0 377.388 1.234 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)ccc1F ZINC000886900740 657726379 /nfs/dbraw/zinc/72/63/79/657726379.db2.gz GKUZRLGPOSLMSQ-MRXNPFEDSA-N 1 0 390.502 1.384 20 0 GDADRO CCN(C(=O)C(=O)Nc1cc(Cl)ccc1S(=O)(=O)CC)[C@@H]1CC[NH2+]C1 ZINC000887003859 657735373 /nfs/dbraw/zinc/73/53/73/657735373.db2.gz CQWSNUMNJDVTLA-GFCCVEGCSA-N 1 0 387.889 1.283 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)Nc1ccc(Br)cn1 ZINC000887035401 657741178 /nfs/dbraw/zinc/74/11/78/657741178.db2.gz NCBFZHYYDRVOPZ-QMMMGPOBSA-N 1 0 377.189 1.144 20 0 GDADRO CCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1F)[C@@H]1CC[NH2+]C1 ZINC000887070244 657750584 /nfs/dbraw/zinc/75/05/84/657750584.db2.gz JDRBVDXOMOJELJ-CYBMUJFWSA-N 1 0 386.265 1.757 20 0 GDADRO CCN(C(=O)C(=O)N(C)C[C@@H](O)c1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000887070925 657751499 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C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@](C)(CO)c2cccc(Br)c2)C1 ZINC000890629956 658131447 /nfs/dbraw/zinc/13/14/47/658131447.db2.gz HMZPUWYJBLYQDF-IRXDYDNUSA-N 1 0 385.302 1.620 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)NCCS(=O)(=O)c2ccccc2)C[C@H]1C(F)(F)F ZINC000891433615 658239698 /nfs/dbraw/zinc/23/96/98/658239698.db2.gz NOEFYZFKBQCSSY-WCQYABFASA-N 1 0 379.404 1.239 20 0 GDADRO CC[NH+](CC)CCCNC(=O)N1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000891462715 658241964 /nfs/dbraw/zinc/24/19/64/658241964.db2.gz HAOKHDSGGJBDRU-RUZDIDTESA-N 1 0 375.583 1.714 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000891485558 658244725 /nfs/dbraw/zinc/24/47/25/658244725.db2.gz QZISNMVYEMQECA-VDISTLRHSA-N 1 0 383.290 1.606 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000891485559 658244825 /nfs/dbraw/zinc/24/48/25/658244825.db2.gz QZISNMVYEMQECA-YEORSEQZSA-N 1 0 383.290 1.606 20 0 GDADRO CCN(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CC[NH2+]C1 ZINC000891859041 658277991 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GDADRO C[C@H](NC(=O)NCc1c(I)cnn1C)[C@H]1CCC[NH2+]C1 ZINC000891982336 658289115 /nfs/dbraw/zinc/28/91/15/658289115.db2.gz RKPSLEBGKOGBBD-UWVGGRQHSA-N 1 0 391.257 1.212 20 0 GDADRO C[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000892156629 658300132 /nfs/dbraw/zinc/30/01/32/658300132.db2.gz PRIGNNFBQIYZRD-BXUZGUMPSA-N 1 0 375.441 1.490 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1COc2cccc(Br)c2C1 ZINC000892171031 658301530 /nfs/dbraw/zinc/30/15/30/658301530.db2.gz WWJCTKOTXMRZRT-RYUDHWBXSA-N 1 0 384.274 1.430 20 0 GDADRO O=C(NCCc1cc(Cl)cc(Br)c1)NC[C@H]1C[NH2+]CCO1 ZINC000892184777 658303109 /nfs/dbraw/zinc/30/31/09/658303109.db2.gz XKDSTQQAMUDHKK-CYBMUJFWSA-N 1 0 376.682 1.933 20 0 GDADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000892530983 658331798 /nfs/dbraw/zinc/33/17/98/658331798.db2.gz FDCQDYRBMWQHEH-UHFFFAOYSA-N 1 0 380.436 1.680 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000892577816 658334095 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1.893 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c(Br)n1C ZINC000903204086 659301359 /nfs/dbraw/zinc/30/13/59/659301359.db2.gz IHFWCBZHGFUODN-UHFFFAOYSA-N 1 0 377.308 1.350 20 0 GDADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1OC ZINC000903224738 659303503 /nfs/dbraw/zinc/30/35/03/659303503.db2.gz BHPPWBMIQOYNJV-CHWSQXEVSA-N 1 0 392.543 1.843 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000903228784 659306871 /nfs/dbraw/zinc/30/68/71/659306871.db2.gz BHMQHYJSCZYLSL-UHFFFAOYSA-N 1 0 395.497 1.581 20 0 GDADRO C[C@H](NCCS(=O)(=O)N=S(C)(C)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000903230145 659308286 /nfs/dbraw/zinc/30/82/86/659308286.db2.gz WDNMIWQSAQGMEO-AWEZNQCLSA-N 1 0 391.559 1.335 20 0 GDADRO NC(=O)CC1CC([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000903258779 659311377 /nfs/dbraw/zinc/31/13/77/659311377.db2.gz BQHFKWFKWSYNLY-OCTTZUBCSA-N 1 0 387.299 1.911 20 0 GDADRO O=S(=O)(c1ccc(Br)cc1)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903427615 659315407 /nfs/dbraw/zinc/31/54/07/659315407.db2.gz ZHVPLMGIPSISOI-CQSZACIVSA-N 1 0 388.331 1.507 20 0 GDADRO CC1(NS(=O)(=O)c2ccc(I)s2)CC[NH2+]CC1 ZINC000903503748 659319865 /nfs/dbraw/zinc/31/98/65/659319865.db2.gz NMCKJAOROVWZRI-UHFFFAOYSA-N 1 0 386.280 1.773 20 0 GDADRO Cc1sc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1C ZINC000903510700 659321263 /nfs/dbraw/zinc/32/12/63/659321263.db2.gz JEIXRRYPTMMIEP-HNNXBMFYSA-N 1 0 385.555 1.506 20 0 GDADRO C[C@H]1CN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC[C@H]1[NH3+] ZINC000903513636 659322923 /nfs/dbraw/zinc/32/29/23/659322923.db2.gz QKXNXNGBNPFJAS-JOYOIKCWSA-N 1 0 391.287 1.677 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1F ZINC000903513747 659323016 /nfs/dbraw/zinc/32/30/16/659323016.db2.gz WQIKWFWCRBWWEN-GZMMTYOYSA-N 1 0 397.266 1.334 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903517134 659324909 /nfs/dbraw/zinc/32/49/09/659324909.db2.gz BEQDEVKOUGXRCM-SKDRFNHKSA-N 1 0 391.287 1.595 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1F ZINC000903518465 659325485 /nfs/dbraw/zinc/32/54/85/659325485.db2.gz ORCSLDROGAQECV-WPRPVWTQSA-N 1 0 381.267 1.873 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1F ZINC000903518467 659325511 /nfs/dbraw/zinc/32/55/11/659325511.db2.gz OTEHYYPSYXAQRT-DTORHVGOSA-N 1 0 379.251 1.437 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1F ZINC000903518463 659325633 /nfs/dbraw/zinc/32/56/33/659325633.db2.gz ORCSLDROGAQECV-SCZZXKLOSA-N 1 0 381.267 1.873 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903518582 659326029 /nfs/dbraw/zinc/32/60/29/659326029.db2.gz VPVWEBVSTYKEFK-QWRGUYRKSA-N 1 0 391.287 1.867 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903518963 659326138 /nfs/dbraw/zinc/32/61/38/659326138.db2.gz ROOGYRIKQGERSC-UWVGGRQHSA-N 1 0 395.250 1.297 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)N[C@@H]1CCCC[NH2+]C1 ZINC000903522177 659328283 /nfs/dbraw/zinc/32/82/83/659328283.db2.gz OMHOVOHNPSWOGR-LLVKDONJSA-N 1 0 391.287 1.739 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000903536426 659332431 /nfs/dbraw/zinc/33/24/31/659332431.db2.gz ZHBDUOAMRXLAMV-MNOVXSKESA-N 1 0 376.320 1.649 20 0 GDADRO Cc1cc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)ccc1Br ZINC000903543391 659335210 /nfs/dbraw/zinc/33/52/10/659335210.db2.gz AMOLZQCDNNRYQV-UHFFFAOYSA-N 1 0 377.304 1.886 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903544626 659335892 /nfs/dbraw/zinc/33/58/92/659335892.db2.gz BYMUOEDZUDKRFF-OAHLLOKOSA-N 1 0 388.917 1.923 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)Cc1ccc(Cl)c(F)c1)C2 ZINC000903553003 659338759 /nfs/dbraw/zinc/33/87/59/659338759.db2.gz ZEFCTOHGKQFFMM-OZVIIMIRSA-N 1 0 390.864 1.521 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)Cc1cc(Cl)ccc1F)C2 ZINC000903552717 659338893 /nfs/dbraw/zinc/33/88/93/659338893.db2.gz SJDUFHJHPKMKGM-GHJWDPDVSA-N 1 0 390.864 1.521 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2C[NH2+]CC2(C)C)c1OC ZINC000903555005 659339837 /nfs/dbraw/zinc/33/98/37/659339837.db2.gz YJYKOAYXWSGQQL-LBPRGKRZSA-N 1 0 376.862 1.412 20 0 GDADRO O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000903561142 659340976 /nfs/dbraw/zinc/34/09/76/659340976.db2.gz RWCJLYUQEKZJPK-CYZMBNFOSA-N 1 0 377.388 1.150 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000903563785 659342131 /nfs/dbraw/zinc/34/21/31/659342131.db2.gz HMDDQKSKTRGMFX-JFUSQASVSA-N 1 0 384.401 1.151 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000903566353 659343364 /nfs/dbraw/zinc/34/33/64/659343364.db2.gz QSBLUKKZVKEZTO-UHFFFAOYSA-N 1 0 380.283 1.290 20 0 GDADRO Cc1nc(S(=O)(=O)NCCN2CCC([NH3+])CC2)c(-c2ccccc2)s1 ZINC000903566076 659343396 /nfs/dbraw/zinc/34/33/96/659343396.db2.gz ZBGFPZLAGNJSCZ-UHFFFAOYSA-N 1 0 380.539 1.820 20 0 GDADRO Cn1cnc(S(=O)(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1Cl ZINC000903574488 659345895 /nfs/dbraw/zinc/34/58/95/659345895.db2.gz SDNMFJYXTZCGDR-BLLLJJGKSA-N 1 0 382.873 1.608 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000903576005 659346995 /nfs/dbraw/zinc/34/69/95/659346995.db2.gz YHNCDVXIQHOKTA-NSHDSACASA-N 1 0 382.454 1.446 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(I)s1)C2 ZINC000903576150 659347534 /nfs/dbraw/zinc/34/75/34/659347534.db2.gz HZRBVSRMIVBEHR-CIUDSAMLSA-N 1 0 398.291 1.853 20 0 GDADRO COC(=O)c1cccc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903578013 659348787 /nfs/dbraw/zinc/34/87/87/659348787.db2.gz APVOSXSCPFCBIH-STQMWFEESA-N 1 0 380.388 1.515 20 0 GDADRO COC(=O)c1ccc(C)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903578264 659349307 /nfs/dbraw/zinc/34/93/07/659349307.db2.gz DUBBGFYHSHAHBW-RYUDHWBXSA-N 1 0 380.388 1.682 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1OC ZINC000903580002 659350848 /nfs/dbraw/zinc/35/08/48/659350848.db2.gz ROUTUYCXUUHWCF-WCBMZHEXSA-N 1 0 386.367 1.743 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC[C@H]1C(F)(F)F ZINC000903580547 659351200 /nfs/dbraw/zinc/35/12/00/659351200.db2.gz VSFLUTZMNUQJQS-CHWSQXEVSA-N 1 0 398.428 1.015 20 0 GDADRO CCc1nc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cn1CC1CC1 ZINC000903581474 659352279 /nfs/dbraw/zinc/35/22/79/659352279.db2.gz MNCLGYQOUSICMW-VXGBXAGGSA-N 1 0 380.436 1.756 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c(Cl)s1 ZINC000903588411 659355348 /nfs/dbraw/zinc/35/53/48/659355348.db2.gz GNMZAWNIYQPFLY-QPUJVOFHSA-N 1 0 384.932 1.307 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000903588642 659355465 /nfs/dbraw/zinc/35/54/65/659355465.db2.gz NCRMEBJFOPUNPY-UHFFFAOYSA-N 1 0 381.420 1.597 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903588793 659355470 /nfs/dbraw/zinc/35/54/70/659355470.db2.gz KHYNRXNFOAGHKO-SWLSCSKDSA-N 1 0 392.930 1.387 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000903588717 659355526 /nfs/dbraw/zinc/35/55/26/659355526.db2.gz JFTSGUCVDCGHJX-XHDPSFHLSA-N 1 0 387.299 1.886 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC000903592188 659356843 /nfs/dbraw/zinc/35/68/43/659356843.db2.gz XKOKLXIKLAMATQ-WMLDXEAASA-N 1 0 387.933 1.782 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c(Br)o1 ZINC000903593587 659357124 /nfs/dbraw/zinc/35/71/24/659357124.db2.gz PXZYGFCXPLZNFN-ZDUSSCGKSA-N 1 0 393.259 1.345 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCc3cc(CC[NH3+])ccc32)c1Br ZINC000903598545 659358624 /nfs/dbraw/zinc/35/86/24/659358624.db2.gz BMZALZBSMVISIS-UHFFFAOYSA-N 1 0 399.314 1.825 20 0 GDADRO CN(C)[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000903599208 659359067 /nfs/dbraw/zinc/35/90/67/659359067.db2.gz XBBUOZXWQQATGF-DEOSSOPVSA-N 1 0 388.559 1.946 20 0 GDADRO CN(C)c1cc(NS(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)cc[nH+]1 ZINC000903606154 659361140 /nfs/dbraw/zinc/36/11/40/659361140.db2.gz ZCRFQURZGHQASO-DEOSSOPVSA-N 1 0 383.499 1.808 20 0 GDADRO C[NH+]1CCC(OCC(=O)Nc2ccc(I)cn2)CC1 ZINC000903605710 659361241 /nfs/dbraw/zinc/36/12/41/659361241.db2.gz BKRYCUMGRUKKGU-UHFFFAOYSA-N 1 0 375.210 1.736 20 0 GDADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000903638264 659365604 /nfs/dbraw/zinc/36/56/04/659365604.db2.gz BRGMGYIYQRQCJR-MYYSRTQBSA-N 1 0 390.575 1.879 20 0 GDADRO Cc1nc([C@H]2CCCN2C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cs1 ZINC000903745028 659378715 /nfs/dbraw/zinc/37/87/15/659378715.db2.gz TZRIACQVDFAAPQ-CKYFFXLPSA-N 1 0 376.404 1.463 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)C[C@H]1CC[NH3+] ZINC000903755835 659379030 /nfs/dbraw/zinc/37/90/30/659379030.db2.gz DKNJBBZMKYWWJA-NXEZZACHSA-N 1 0 378.420 1.564 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903795795 659381195 /nfs/dbraw/zinc/38/11/95/659381195.db2.gz OPNCKHUDDJEVQF-YVEFUNNKSA-N 1 0 385.917 1.885 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)CC[NH2+]1 ZINC000903799955 659381335 /nfs/dbraw/zinc/38/13/35/659381335.db2.gz GTRCDQNDKARGNY-RISCZKNCSA-N 1 0 381.274 1.328 20 0 GDADRO O=C(CN1CC[NH2+]CCC12CCOCC2)Nc1ccc(Br)cn1 ZINC000903817705 659382232 /nfs/dbraw/zinc/38/22/32/659382232.db2.gz FBSITOOHVOHWKZ-UHFFFAOYSA-N 1 0 383.290 1.627 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903969854 659391216 /nfs/dbraw/zinc/39/12/16/659391216.db2.gz MHQDKIBYWIMEOP-DOMZBBRYSA-N 1 0 375.332 1.746 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000904451099 659402060 /nfs/dbraw/zinc/40/20/60/659402060.db2.gz VQIQHAGJKJLTAZ-SNVBAGLBSA-N 1 0 386.246 1.688 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000904469390 659402087 /nfs/dbraw/zinc/40/20/87/659402087.db2.gz LMHCAFNTIPTGRU-CYBMUJFWSA-N 1 0 398.305 1.800 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(I)cc1F ZINC000904520848 659402990 /nfs/dbraw/zinc/40/29/90/659402990.db2.gz 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ZINC000910857403 659986804 /nfs/dbraw/zinc/98/68/04/659986804.db2.gz GEAKLQJTIFAKLT-UHFFFAOYSA-N 1 0 376.563 1.389 20 0 GDADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000910870366 659987182 /nfs/dbraw/zinc/98/71/82/659987182.db2.gz ZZHBLSWEMKRMRF-UHFFFAOYSA-N 1 0 387.322 1.738 20 0 GDADRO C[C@H](NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cn1 ZINC000910977875 659990073 /nfs/dbraw/zinc/99/00/73/659990073.db2.gz XFLONTMOKGAXSV-GRYCIOLGSA-N 1 0 383.290 1.383 20 0 GDADRO [NH3+]C1CCN(CCNC(=O)C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000910994182 659990301 /nfs/dbraw/zinc/99/03/01/659990301.db2.gz WRMQIDKTEFQMDD-UHFFFAOYSA-N 1 0 384.933 1.088 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000911005276 659990690 /nfs/dbraw/zinc/99/06/90/659990690.db2.gz ZEXGYPAYGLQWJC-NSHDSACASA-N 1 0 386.265 1.444 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911043537 659992374 /nfs/dbraw/zinc/99/23/74/659992374.db2.gz YNHVGZJTXKKDEE-ISTVAULSSA-N 1 0 386.265 1.441 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)c1ccc(Br)cc1 ZINC000911074110 659993436 /nfs/dbraw/zinc/99/34/36/659993436.db2.gz ZMNDWUQPMJUPQO-GFCCVEGCSA-N 1 0 398.301 1.593 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000911173513 659997353 /nfs/dbraw/zinc/99/73/53/659997353.db2.gz ZHNGVXXMPKBGDI-DGCLKSJQSA-N 1 0 398.301 1.517 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(OC)c(Br)c1 ZINC000911171755 659997356 /nfs/dbraw/zinc/99/73/56/659997356.db2.gz KWNDPHMWWIWQCV-ZDUSSCGKSA-N 1 0 398.301 1.674 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)Oc1ccccc1Br ZINC000911205722 659998387 /nfs/dbraw/zinc/99/83/87/659998387.db2.gz FVJLODKCHSZQBU-STQMWFEESA-N 1 0 398.301 1.530 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000911212229 659998860 /nfs/dbraw/zinc/99/88/60/659998860.db2.gz OQQSOHUSOHZPHW-YMTOWFKASA-N 1 0 376.404 1.160 20 0 GDADRO CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 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380.286 1.714 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C[C@H]1[NH3+] ZINC000911365900 660005527 /nfs/dbraw/zinc/00/55/27/660005527.db2.gz WVLKFQPNBBSMIE-CQSZACIVSA-N 1 0 394.313 1.793 20 0 GDADRO Cc1nc(-c2ccc(CNC(=O)C(=O)NC[C@@H]3C[NH2+]C[C@H]3C)s2)cs1 ZINC000911377617 660006087 /nfs/dbraw/zinc/00/60/87/660006087.db2.gz CGRRDIKKNULWOM-PWSUYJOCSA-N 1 0 378.523 1.768 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000911420364 660006921 /nfs/dbraw/zinc/00/69/21/660006921.db2.gz IEZJQZWRAJVKBL-UHFFFAOYSA-N 1 0 398.301 1.661 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000911421575 660007006 /nfs/dbraw/zinc/00/70/06/660007006.db2.gz NULHZIBPUAKHKS-KRWDZBQOSA-N 1 0 396.285 1.428 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000911424270 660007235 /nfs/dbraw/zinc/00/72/35/660007235.db2.gz YNNJJVSIBZAIQD-IACUBPJLSA-N 1 0 382.258 1.083 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)NCCc1cccc(Br)c1C)C(C)C ZINC000911427611 660007378 /nfs/dbraw/zinc/00/73/78/660007378.db2.gz KXAHUCYUNJUSPI-UHFFFAOYSA-N 1 0 384.318 1.873 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000911428348 660007516 /nfs/dbraw/zinc/00/75/16/660007516.db2.gz NMJFIJFRTOUYEU-UHFFFAOYSA-N 1 0 382.302 1.627 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000911491395 660008795 /nfs/dbraw/zinc/00/87/95/660008795.db2.gz YILFSAYHLTVOJD-XHDPSFHLSA-N 1 0 380.286 1.577 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cs1)C(N)=O ZINC000911579536 660011404 /nfs/dbraw/zinc/01/14/04/660011404.db2.gz FGRKSTUYLBNFLM-KWCYVHTRSA-N 1 0 382.555 1.785 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2F)C1 ZINC000911582879 660011671 /nfs/dbraw/zinc/01/16/71/660011671.db2.gz TZAJOVDPDDAEQZ-JQWIXIFHSA-N 1 0 386.265 1.790 20 0 GDADRO CC(=O)N1CCCN(C(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)CC1 ZINC000911637934 660013223 /nfs/dbraw/zinc/01/32/23/660013223.db2.gz YHUMJCCHLRCVKW-INIZCTEOSA-N 1 0 382.302 1.790 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YRMWTDLWHXSEFO-UHFFFAOYSA-N 1 0 399.285 1.764 20 0 GDADRO C[NH+]1CCC(N(CCO)C(=O)c2cnn(C(C)(C)C)c2Br)CC1 ZINC000911948012 660022300 /nfs/dbraw/zinc/02/23/00/660022300.db2.gz WQRAMYDPLVDCHN-UHFFFAOYSA-N 1 0 387.322 1.929 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000912033274 660024814 /nfs/dbraw/zinc/02/48/14/660024814.db2.gz RCZZSYLOQBQBKM-HNNXBMFYSA-N 1 0 398.301 1.484 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)Nc1ccccc1SC(F)F ZINC000912059220 660026008 /nfs/dbraw/zinc/02/60/08/660026008.db2.gz OAIUUYRTXHGMDS-NRUUGDAUSA-N 1 0 376.450 1.963 20 0 GDADRO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(I)n1 ZINC000912064723 660026245 /nfs/dbraw/zinc/02/62/45/660026245.db2.gz DMNGEUUVGWIKMW-VXGBXAGGSA-N 1 0 388.253 1.771 20 0 GDADRO CCC(CC)N(CCOC)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912490824 660039606 /nfs/dbraw/zinc/03/96/06/660039606.db2.gz XWLBERXAFVWAER-UHFFFAOYSA-N 1 0 388.306 1.847 20 0 GDADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)CSc2ccc(S(N)(=O)=O)cc2)C12CCC2 ZINC000912597872 660043868 /nfs/dbraw/zinc/04/38/68/660043868.db2.gz CLTIKAGFLBDACT-LSDHHAIUSA-N 1 0 383.539 1.415 20 0 GDADRO CN(CC[N@H+](C)CCO)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000912597905 660043886 /nfs/dbraw/zinc/04/38/86/660043886.db2.gz AAVKLEDZWPOXFW-UHFFFAOYSA-N 1 0 383.242 1.552 20 0 GDADRO Cc1csc(C(=O)N(C)CC[N@H+](C)CCO)c1I ZINC000912605358 660044179 /nfs/dbraw/zinc/04/41/79/660044179.db2.gz PKZIPUUQYABEBH-UHFFFAOYSA-N 1 0 382.267 1.657 20 0 GDADRO CN(CC[N@H+](C)CCO)C(=O)Cc1cccc(I)c1 ZINC000912608653 660044513 /nfs/dbraw/zinc/04/45/13/660044513.db2.gz ZWYOGTPKSQTXNP-UHFFFAOYSA-N 1 0 376.238 1.216 20 0 GDADRO O=C(c1cc2ncc(Br)cn2n1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000912715195 660050254 /nfs/dbraw/zinc/05/02/54/660050254.db2.gz PSEYCTJQKIWTIM-CYBMUJFWSA-N 1 0 394.273 1.163 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccnc(Br)c2)cn1 ZINC000913075781 660065980 /nfs/dbraw/zinc/06/59/80/660065980.db2.gz ITUVLMGXKFWLAJ-GJZGRUSLSA-N 1 0 392.301 1.929 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000913150923 660071166 /nfs/dbraw/zinc/07/11/66/660071166.db2.gz LQWXDCRUROVFMG-UHFFFAOYSA-N 1 0 376.245 1.837 20 0 GDADRO Cn1ncc(I)c1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913389691 660078265 /nfs/dbraw/zinc/07/82/65/660078265.db2.gz DICNVMJROZNWNV-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO Cn1cc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c(I)n1 ZINC000913721678 660094354 /nfs/dbraw/zinc/09/43/54/660094354.db2.gz BSZZUKHOXDCVIW-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO CC[NH+](CC)CCNC(=O)N1CCn2ncc(I)c2C1 ZINC000913831488 660099092 /nfs/dbraw/zinc/09/90/92/660099092.db2.gz YDSBHADTRDEGEB-UHFFFAOYSA-N 1 0 391.257 1.355 20 0 GDADRO NS(=O)(=O)C1CN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000914063435 660113466 /nfs/dbraw/zinc/11/34/66/660113466.db2.gz XAKGQVKQALCLGW-HNNXBMFYSA-N 1 0 386.905 1.159 20 0 GDADRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000914066317 660113728 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O=C(Cc1c[nH]cn1)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571271923 945654710 /nfs/dbraw/zinc/65/47/10/945654710.db2.gz MPFDNPPDDHORSU-LBPRGKRZSA-N 1 0 386.485 1.365 20 0 GDADRO Cc1nccn1CC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271935 945654933 /nfs/dbraw/zinc/65/49/33/945654933.db2.gz MVFFZKQFIWQWAU-UHFFFAOYSA-N 1 0 386.485 1.118 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272563 945665823 /nfs/dbraw/zinc/66/58/23/945665823.db2.gz WUZMVNMWMVVVSG-NWDGAFQWSA-N 1 0 386.485 1.221 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000821326252 945670473 /nfs/dbraw/zinc/67/04/73/945670473.db2.gz VWXWIBHCXPXXIN-CQSZACIVSA-N 1 0 383.412 1.692 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1cncs1 ZINC001571279007 945766566 /nfs/dbraw/zinc/76/65/66/945766566.db2.gz FXKVSGLTBDHANS-GWCFXTLKSA-N 1 0 387.444 1.855 20 0 GDADRO CN(C(=O)c1cscn1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571279073 945769383 /nfs/dbraw/zinc/76/93/83/945769383.db2.gz IDDAFIFXYGDSDU-UHFFFAOYSA-N 1 0 387.444 1.855 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@H](NC(=O)C2CC(OC)C2)C1 ZINC001571279634 945783715 /nfs/dbraw/zinc/78/37/15/945783715.db2.gz XEZNNRHASBFYPB-UDOAELMESA-N 1 0 386.456 1.037 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000821702294 945839254 /nfs/dbraw/zinc/83/92/54/945839254.db2.gz ORHSWSPNFCTDAE-INIZCTEOSA-N 1 0 388.472 1.051 20 0 GDADRO C[C@@H]1CN(c2cccc(F)c2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001571282435 945840735 /nfs/dbraw/zinc/84/07/35/945840735.db2.gz YJIOQKIHLDXMIQ-XNRPHZJLSA-N 1 0 387.463 1.431 20 0 GDADRO CC(=O)N[C@](C)(C(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573452230 945846171 /nfs/dbraw/zinc/84/61/71/945846171.db2.gz BZLQJEDZBDIACD-DJJJIMSYSA-N 1 0 387.488 1.012 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571282742 945857614 /nfs/dbraw/zinc/85/76/14/945857614.db2.gz PLLFWVKXUDZXRO-BBRMVZONSA-N 1 0 387.463 1.575 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001571282727 945859477 /nfs/dbraw/zinc/85/94/77/945859477.db2.gz PACYXTBQAURDLG-INIZCTEOSA-N 1 0 387.463 1.038 20 0 GDADRO CC(=O)N[C@](C)(C(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573453990 945868606 /nfs/dbraw/zinc/86/86/06/945868606.db2.gz SNLAMPBAFGWRSF-DJJJIMSYSA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573453989 945869925 /nfs/dbraw/zinc/86/99/25/945869925.db2.gz SNLAMPBAFGWRSF-BFUOFWGJSA-N 1 0 387.488 1.012 20 0 GDADRO CO[C@H](C[NH+]1CCC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)C1CCC1 ZINC001571283947 945892613 /nfs/dbraw/zinc/89/26/13/945892613.db2.gz LKHLBERAVYPAQS-QGZVFWFLSA-N 1 0 387.488 1.452 20 0 GDADRO COC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001571284157 945897928 /nfs/dbraw/zinc/89/79/28/945897928.db2.gz MAGDHSMUDPBKSS-KUHUBIRLSA-N 1 0 387.488 1.548 20 0 GDADRO COC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001571284160 945898164 /nfs/dbraw/zinc/89/81/64/945898164.db2.gz MAGDHSMUDPBKSS-LIRRHRJNSA-N 1 0 387.488 1.548 20 0 GDADRO COC[C@H](C)[N@@H+]1CC[C@H](C2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001571284940 945907101 /nfs/dbraw/zinc/90/71/01/945907101.db2.gz XDVZUPOHHQVKSS-ZFWWWQNUSA-N 1 0 387.488 1.404 20 0 GDADRO O=C(C1CC(F)(F)C1)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571286958 945966367 /nfs/dbraw/zinc/96/63/67/945966367.db2.gz WQQNZFNCJBYGFV-GOEBONIOSA-N 1 0 388.422 1.945 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CN(C(=O)CC2CC2)CCO1 ZINC001571288234 945983387 /nfs/dbraw/zinc/98/33/87/945983387.db2.gz MXAQTUYLLFNBLB-PXAZEXFGSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(CC1(O)CCC1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571288375 945985363 /nfs/dbraw/zinc/98/53/63/945985363.db2.gz OVNPJMBVJKRWGC-CQSZACIVSA-N 1 0 388.447 1.392 20 0 GDADRO O=C(C[C@@H]1CCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571288537 945988173 /nfs/dbraw/zinc/98/81/73/945988173.db2.gz PYHSTDPMRBAEBE-LSDHHAIUSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571288699 945990853 /nfs/dbraw/zinc/99/08/53/945990853.db2.gz RIMAXIKVFLIVQC-CJNGLKHVSA-N 1 0 388.447 1.464 20 0 GDADRO O=C(C[C@@H]1CCCO1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571288757 945993798 /nfs/dbraw/zinc/99/37/98/945993798.db2.gz SVWVUALVUYOJJG-HOTGVXAUSA-N 1 0 388.447 1.656 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCCOC1 ZINC001571289204 945998795 /nfs/dbraw/zinc/99/87/95/945998795.db2.gz XCAYXEJNRYPXDX-DNVCBOLYSA-N 1 0 388.447 1.513 20 0 GDADRO Cc1nonc1C(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289420 946007413 /nfs/dbraw/zinc/00/74/13/946007413.db2.gz CRZLKNVKVDWVTF-GXSJLCMTSA-N 1 0 388.457 1.118 20 0 GDADRO O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001571290130 946029936 /nfs/dbraw/zinc/02/99/36/946029936.db2.gz VUOGYGWIBASZAR-DOMZBBRYSA-N 1 0 388.451 1.193 20 0 GDADRO CC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001571290158 946030749 /nfs/dbraw/zinc/03/07/49/946030749.db2.gz WLWCQZHESXXLNO-NHAGDIPZSA-N 1 0 388.497 1.291 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573474411 946091501 /nfs/dbraw/zinc/09/15/01/946091501.db2.gz LFLHDGHJFFKGKO-GLJUWKHASA-N 1 0 399.499 1.108 20 0 GDADRO Cc1nc(CN2CCC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)oc1C ZINC000822441101 946093064 /nfs/dbraw/zinc/09/30/64/946093064.db2.gz STTVNEVLENNITB-GOSISDBHSA-N 1 0 397.483 1.713 20 0 GDADRO COc1nc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571293656 946112641 /nfs/dbraw/zinc/11/26/41/946112641.db2.gz OIJFXZPOJBYRJW-SNVBAGLBSA-N 1 0 389.441 1.319 20 0 GDADRO CC[C@@H](SC)C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571294929 946147067 /nfs/dbraw/zinc/14/70/67/946147067.db2.gz MOGKRUGNYXUMJP-XJKSGUPXSA-N 1 0 389.529 1.996 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1(c2cccnc2)CC1 ZINC001571295170 946155110 /nfs/dbraw/zinc/15/51/10/946155110.db2.gz PDAJKHVZYRKWRA-IYARVYRRSA-N 1 0 389.463 1.730 20 0 GDADRO O=C(c1ccccc1O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571295968 946179414 /nfs/dbraw/zinc/17/94/14/946179414.db2.gz KPORMRZBKXXHPC-FUHWJXTLSA-N 1 0 390.447 1.919 20 0 GDADRO C[C@H]1CN(C(=O)c2csnn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571298504 946219150 /nfs/dbraw/zinc/21/91/50/946219150.db2.gz PMNVTDZEAOVKGI-VHSXEESVSA-N 1 0 390.498 1.278 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571298588 946222736 /nfs/dbraw/zinc/22/27/36/946222736.db2.gz BJHNTEKMRVHLHN-DYVFJYSZSA-N 1 0 390.879 1.094 20 0 GDADRO O=C(c1cncnc1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571298841 946231351 /nfs/dbraw/zinc/23/13/51/946231351.db2.gz RGWABFVDUNELBB-ROUUACIJSA-N 1 0 390.451 1.536 20 0 GDADRO C[C@H]1CO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001571299336 946244913 /nfs/dbraw/zinc/24/49/13/946244913.db2.gz KZGODLZQIRICFE-RGCMKSIDSA-N 1 0 390.513 1.870 20 0 GDADRO Cc1nsc(NC[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571299269 946244971 /nfs/dbraw/zinc/24/49/71/946244971.db2.gz KDXQVCSMTIROHM-CHWSQXEVSA-N 1 0 390.517 1.376 20 0 GDADRO C[C@H](C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001571299886 946263990 /nfs/dbraw/zinc/26/39/90/946263990.db2.gz QGCSZIQBIZAANK-JSGCOSHPSA-N 1 0 390.513 1.681 20 0 GDADRO CC1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCOCC1 ZINC001571299874 946264683 /nfs/dbraw/zinc/26/46/83/946264683.db2.gz QAXUVJSBRTTZRR-CYBMUJFWSA-N 1 0 390.513 1.826 20 0 GDADRO Cc1ncncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001571299985 946270527 /nfs/dbraw/zinc/27/05/27/946270527.db2.gz XIWURQSSJNNHPO-CALCHBBNSA-N 1 0 390.451 1.169 20 0 GDADRO C[C@@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001571300069 946273415 /nfs/dbraw/zinc/27/34/15/946273415.db2.gz SQPICFGXNYZIEV-PWGQDJSOSA-N 1 0 390.513 1.729 20 0 GDADRO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3Cc4ccccc4O3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571303208 946327978 /nfs/dbraw/zinc/32/79/78/946327978.db2.gz JUNDHZQKLDYAIK-IYOUNJFTSA-N 1 0 391.435 1.055 20 0 GDADRO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC2(CCOCC2)C1 ZINC001573496878 946332888 /nfs/dbraw/zinc/33/28/88/946332888.db2.gz FWXZGHINNTUWFO-HNNXBMFYSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(c1cc2c([nH]1)CCC2)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571305842 946379875 /nfs/dbraw/zinc/37/98/75/946379875.db2.gz LOXKPHNVYGHGIS-CQSZACIVSA-N 1 0 391.479 1.935 20 0 GDADRO Cc1cncc(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571307031 946414103 /nfs/dbraw/zinc/41/41/03/946414103.db2.gz UTUFBVQFDAOILC-LJQANCHMSA-N 1 0 391.479 1.893 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@@H](C)C2)cn1 ZINC001571307186 946418645 /nfs/dbraw/zinc/41/86/45/946418645.db2.gz ZHPSXGZRQRIZJU-LIRRHRJNSA-N 1 0 391.479 1.749 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccn1 ZINC001571310532 946475685 /nfs/dbraw/zinc/47/56/85/946475685.db2.gz ITDLGYBSRADFPG-BMGDILEWSA-N 1 0 392.467 1.357 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC001571310617 946477234 /nfs/dbraw/zinc/47/72/34/946477234.db2.gz KWDWNKSRJYCKHE-GDBMZVCRSA-N 1 0 392.467 1.360 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCCN1C(=O)c1cncnc1 ZINC001571310657 946477357 /nfs/dbraw/zinc/47/73/57/946477357.db2.gz LXFGLLBDXYEEMU-KDOFPFPSSA-N 1 0 392.467 1.830 20 0 GDADRO COc1cccc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571311425 946486935 /nfs/dbraw/zinc/48/69/35/946486935.db2.gz XGEDFFYBZDTGCT-IYARVYRRSA-N 1 0 392.463 1.855 20 0 GDADRO COc1cccc(CC(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571311459 946487745 /nfs/dbraw/zinc/48/77/45/946487745.db2.gz YAKACODENDNKPV-GOSISDBHSA-N 1 0 392.463 1.809 20 0 GDADRO CC(=O)N[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000823989488 946535612 /nfs/dbraw/zinc/53/56/12/946535612.db2.gz ZGYYDLNNWKILSP-KRWDZBQOSA-N 1 0 380.456 1.368 20 0 GDADRO Cc1cc(NC[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314766 946544403 /nfs/dbraw/zinc/54/44/03/946544403.db2.gz CKZCAFWORVNMDP-BBRMVZONSA-N 1 0 392.467 1.597 20 0 GDADRO Cc1cc(NC[C@H]2CCN(C(=O)c3ccncc3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314768 946545108 /nfs/dbraw/zinc/54/51/08/946545108.db2.gz CKZCAFWORVNMDP-CZUORRHYSA-N 1 0 392.467 1.597 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nc1C ZINC001571315587 946556502 /nfs/dbraw/zinc/55/65/02/946556502.db2.gz LXBBENBOCXUKRS-LSDHHAIUSA-N 1 0 392.467 1.658 20 0 GDADRO Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C1 ZINC001571315836 946561161 /nfs/dbraw/zinc/56/11/61/946561161.db2.gz PDSQMKCWBCAXOA-IAOVAPTHSA-N 1 0 392.467 1.673 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C23CCC3)n1 ZINC001571316157 946569453 /nfs/dbraw/zinc/56/94/53/946569453.db2.gz VCLLJLBWYFQXHH-HOTGVXAUSA-N 1 0 392.467 1.729 20 0 GDADRO Cc1cc(NC[C@H]2CCCN2C(=O)Cc2cnccc2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316237 946572249 /nfs/dbraw/zinc/57/22/49/946572249.db2.gz XBFQLSAERHVTBG-MRXNPFEDSA-N 1 0 392.467 1.341 20 0 GDADRO Cc1nccc(CCC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571316346 946573368 /nfs/dbraw/zinc/57/33/68/946573368.db2.gz AHADZOMEOKZEED-KRWDZBQOSA-N 1 0 392.467 1.288 20 0 GDADRO Cc1nccc(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571316386 946574521 /nfs/dbraw/zinc/57/45/21/946574521.db2.gz BFHPMKYDMFHTJE-GUYCJALGSA-N 1 0 392.467 1.463 20 0 GDADRO Cc1nnccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316352 946575028 /nfs/dbraw/zinc/57/50/28/946575028.db2.gz ALTVBXHGILEBQA-DOTOQJQBSA-N 1 0 392.467 1.653 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCc2n[nH]cc21 ZINC001571316334 946575178 /nfs/dbraw/zinc/57/51/78/946575178.db2.gz ACIKGDNWFXLXGU-HOTGVXAUSA-N 1 0 392.467 1.400 20 0 GDADRO CC(C)(C)N1C[C@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824094386 946583412 /nfs/dbraw/zinc/58/34/12/946583412.db2.gz SIUHFHZKTYYBHE-GOSISDBHSA-N 1 0 397.527 1.820 20 0 GDADRO Cc1ncncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC001571316681 946583951 /nfs/dbraw/zinc/58/39/51/946583951.db2.gz JPNGDLFELGDZKC-SUMWQHHRSA-N 1 0 392.467 1.748 20 0 GDADRO Cn1ncc(C2CC2)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316768 946586274 /nfs/dbraw/zinc/58/62/74/946586274.db2.gz MGGAHYRZDJRBMJ-INIZCTEOSA-N 1 0 392.467 1.482 20 0 GDADRO Cc1nnccc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316751 946586571 /nfs/dbraw/zinc/58/65/71/946586571.db2.gz LMEIMOKXHYHKBR-DYVFJYSZSA-N 1 0 392.467 1.748 20 0 GDADRO Cn1cnc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571317055 946597359 /nfs/dbraw/zinc/59/73/59/946597359.db2.gz UGVOGOXQWHLJFZ-QAPCUYQASA-N 1 0 392.467 1.337 20 0 GDADRO O=C(CCc1cncnc1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317260 946603212 /nfs/dbraw/zinc/60/32/12/946603212.db2.gz ZRKRRWPOMFIUPK-GOSISDBHSA-N 1 0 392.467 1.370 20 0 GDADRO O=C(c1cnc2n1CCC2)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317609 946615329 /nfs/dbraw/zinc/61/53/29/946615329.db2.gz OGFDCELQYPYEIU-HNNXBMFYSA-N 1 0 392.467 1.261 20 0 GDADRO CC(C)[NH2+]C1CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824305356 946649491 /nfs/dbraw/zinc/64/94/91/946649491.db2.gz ODDWPTBVBRCQTN-SFHVURJKSA-N 1 0 383.500 1.825 20 0 GDADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824571340 946811286 /nfs/dbraw/zinc/81/12/86/946811286.db2.gz QBVAWNLPRQZAAU-BXUZGUMPSA-N 1 0 393.494 1.414 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824598774 946847585 /nfs/dbraw/zinc/84/75/85/946847585.db2.gz IOIUYWLXIQREJD-CQSZACIVSA-N 1 0 386.481 1.637 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000824598609 946848266 /nfs/dbraw/zinc/84/82/66/946848266.db2.gz HRAYTMSTKCQHHR-CZUORRHYSA-N 1 0 394.501 1.006 20 0 GDADRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824594179 946849134 /nfs/dbraw/zinc/84/91/34/946849134.db2.gz XOWVKPHPLGFQGQ-CYBMUJFWSA-N 1 0 391.435 1.736 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=O)NCC(C)(C)[NH2+]C)cc1-c1nn[nH]n1 ZINC000825540197 947217437 /nfs/dbraw/zinc/21/74/37/947217437.db2.gz VBWAVVVSGKPVPW-UHFFFAOYSA-N 1 0 376.421 1.555 20 0 GDADRO C[NH+](C)CCNC(=O)Nc1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1 ZINC000825866499 947350547 /nfs/dbraw/zinc/35/05/47/947350547.db2.gz ZDFKULCFYIDDAV-UHFFFAOYSA-N 1 0 375.824 1.389 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC001573593368 947367722 /nfs/dbraw/zinc/36/77/22/947367722.db2.gz SBJVVGCWTBSONK-KDOFPFPSSA-N 1 0 386.500 1.554 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCC(=O)OCc1ccccc1 ZINC000825933737 947375235 /nfs/dbraw/zinc/37/52/35/947375235.db2.gz FQJITCKHKBYAIF-UHFFFAOYSA-N 1 0 384.444 1.170 20 0 GDADRO Cn1cc(C[N@H+](C)CCCn2ccnc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825938342 947377115 /nfs/dbraw/zinc/37/71/15/947377115.db2.gz PQKATLWUTDBABN-UHFFFAOYSA-N 1 0 377.456 1.986 20 0 GDADRO C[C@H](C(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573593774 947378669 /nfs/dbraw/zinc/37/86/69/947378669.db2.gz VSNODQDEBTVOOD-XJKSGUPXSA-N 1 0 387.488 1.395 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(C(=O)NCCNc3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC000826022658 947406301 /nfs/dbraw/zinc/40/63/01/947406301.db2.gz QQNLRXUXTPULDE-INIZCTEOSA-N 1 0 399.503 1.047 20 0 GDADRO C[C@@H](C(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573594825 947408343 /nfs/dbraw/zinc/40/83/43/947408343.db2.gz UPHJLOOYHVOPGA-LRVUVFPRSA-N 1 0 378.440 1.284 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C ZINC001573595154 947414937 /nfs/dbraw/zinc/41/49/37/947414937.db2.gz FTVKPUNYBXYPSU-DOMZBBRYSA-N 1 0 392.479 1.597 20 0 GDADRO C[C@@H](C(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)c1cccnc1 ZINC001573598815 947445770 /nfs/dbraw/zinc/44/57/70/947445770.db2.gz RWIFJMFKMYBWHJ-CQSZACIVSA-N 1 0 380.456 1.745 20 0 GDADRO C[C@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(C)C ZINC001573603792 947496643 /nfs/dbraw/zinc/49/66/43/947496643.db2.gz JWDAPRWSACLETP-GFCCVEGCSA-N 1 0 380.518 1.521 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cccc1 ZINC001573604518 947514094 /nfs/dbraw/zinc/51/40/94/947514094.db2.gz VGWBACFCTPMXSX-AWEZNQCLSA-N 1 0 385.447 1.959 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573618827 947656049 /nfs/dbraw/zinc/65/60/49/947656049.db2.gz SPGPITIMPRXASW-GWCFXTLKSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cccn1 ZINC001573620005 947676735 /nfs/dbraw/zinc/67/67/35/947676735.db2.gz ZOTVAORONWHKLA-AWEZNQCLSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573625141 947698279 /nfs/dbraw/zinc/69/82/79/947698279.db2.gz NHVWKFIMWTUNRK-GDBMZVCRSA-N 1 0 384.488 1.539 20 0 GDADRO CC(=O)CCCC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573366277 947738183 /nfs/dbraw/zinc/73/81/83/947738183.db2.gz PCKNDMROOSIDDF-GFCCVEGCSA-N 1 0 376.436 1.702 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573628023 947743601 /nfs/dbraw/zinc/74/36/01/947743601.db2.gz FGNWVIVUBFTCQQ-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO Cc1cc(C(=O)NCCNc2cc[nH+]cc2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258981 947746167 /nfs/dbraw/zinc/74/61/67/947746167.db2.gz DBKPAVBMRKQUMM-UHFFFAOYSA-N 1 0 389.423 1.020 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@](CO)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573628226 947748544 /nfs/dbraw/zinc/74/85/44/947748544.db2.gz GSJQODYOXHSZNF-VLIAUNLRSA-N 1 0 384.484 1.356 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1C ZINC001573367923 947765347 /nfs/dbraw/zinc/76/53/47/947765347.db2.gz IYTVJVWKYDGMKG-BLLLJJGKSA-N 1 0 388.447 1.844 20 0 GDADRO C[C@@H](C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccco1 ZINC001573628949 947767435 /nfs/dbraw/zinc/76/74/35/947767435.db2.gz PIQVPTZKSNVHSB-KGLIPLIRSA-N 1 0 381.440 1.873 20 0 GDADRO C[C@H](C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C(F)(F)F ZINC001573629187 947772801 /nfs/dbraw/zinc/77/28/01/947772801.db2.gz RFYXEZFAORKIBU-MNOVXSKESA-N 1 0 383.378 1.675 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@H]1C ZINC001573373684 947797557 /nfs/dbraw/zinc/79/75/57/947797557.db2.gz KGXAURMQCZJHLD-DYVFJYSZSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001573375182 947819513 /nfs/dbraw/zinc/81/95/13/947819513.db2.gz MTQWJSNYTGSMMC-MRXNPFEDSA-N 1 0 383.456 1.496 20 0 GDADRO Cc1onc(CC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1-c1nn[nH]n1 ZINC000826290843 947847797 /nfs/dbraw/zinc/84/77/97/947847797.db2.gz CICKPLCBXUFCSH-UHFFFAOYSA-N 1 0 385.428 1.593 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573377363 947848317 /nfs/dbraw/zinc/84/83/17/947848317.db2.gz KQQILDONDWEDJP-UKRRQHHQSA-N 1 0 385.472 1.339 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)c1cccnc1 ZINC001573647012 947881638 /nfs/dbraw/zinc/88/16/38/947881638.db2.gz ABGLYUDMTDJABL-BMFZPTHFSA-N 1 0 390.451 1.355 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573382137 947883075 /nfs/dbraw/zinc/88/30/75/947883075.db2.gz FEYLEIGKUQOOIP-GASCZTMLSA-N 1 0 388.447 1.750 20 0 GDADRO Cc1nc2n(n1)C[C@@H]([NH2+]C1CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826329157 947958430 /nfs/dbraw/zinc/95/84/30/947958430.db2.gz RXOMRIZZCYVSHI-SFHVURJKSA-N 1 0 393.499 1.336 20 0 GDADRO Cc1onc(CC(=O)N(CCc2ccccc2)CC[NH+](C)C)c1-c1nn[nH]n1 ZINC000826343740 947995989 /nfs/dbraw/zinc/99/59/89/947995989.db2.gz LPEMGYIXLYVOKP-UHFFFAOYSA-N 1 0 383.456 1.339 20 0 GDADRO Cc1onc(CC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826346615 948043010 /nfs/dbraw/zinc/04/30/10/948043010.db2.gz QRFMTADUWLKESW-DOMZBBRYSA-N 1 0 381.440 1.657 20 0 GDADRO C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573664353 948052285 /nfs/dbraw/zinc/05/22/85/948052285.db2.gz UHEXPAVIKBZOHE-HSBZDZAISA-N 1 0 385.497 1.975 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573667326 948096844 /nfs/dbraw/zinc/09/68/44/948096844.db2.gz YYPDCXAJPANEPH-QWRGUYRKSA-N 1 0 383.378 1.935 20 0 GDADRO Cn1cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360248 948118252 /nfs/dbraw/zinc/11/82/52/948118252.db2.gz CPGKDEJCYNLLLG-QGZVFWFLSA-N 1 0 395.467 1.995 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573676736 948128802 /nfs/dbraw/zinc/12/88/02/948128802.db2.gz UWTHZHXQNJQQSW-CZUORRHYSA-N 1 0 380.456 1.094 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573677112 948132982 /nfs/dbraw/zinc/13/29/82/948132982.db2.gz VWGSKHXQXLROMY-HOCLYGCPSA-N 1 0 384.488 1.221 20 0 GDADRO CC(=O)N1C[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@H](C(F)(F)F)C1 ZINC001573426963 948161932 /nfs/dbraw/zinc/16/19/32/948161932.db2.gz RTWBJQLDDWVJOL-CHWSQXEVSA-N 1 0 386.353 1.752 20 0 GDADRO CC(=O)N1C[C@@H](C)OC2(CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)C1 ZINC001573427385 948164163 /nfs/dbraw/zinc/16/41/63/948164163.db2.gz WXOIZJFBVHISAR-CYBMUJFWSA-N 1 0 388.447 1.608 20 0 GDADRO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388699 948196167 /nfs/dbraw/zinc/19/61/67/948196167.db2.gz HGZWJKHZRUUNBN-RDJZCZTQSA-N 1 0 397.870 1.915 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001573681449 948204085 /nfs/dbraw/zinc/20/40/85/948204085.db2.gz WYBOCPMLHPPKIV-VXGBXAGGSA-N 1 0 388.501 1.402 20 0 GDADRO O=C(CC[N@@H+]1CCOCC2(CC2)C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000826407723 948238933 /nfs/dbraw/zinc/23/89/33/948238933.db2.gz YBZTTXNPNCFRHH-UHFFFAOYSA-N 1 0 388.497 1.858 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCC1)[C@H]1CCCO1 ZINC001573691788 948245027 /nfs/dbraw/zinc/24/50/27/948245027.db2.gz ISXZJDYLADMMGR-WMLDXEAASA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC1)[C@H]1CCCO1 ZINC001573691998 948252785 /nfs/dbraw/zinc/25/27/85/948252785.db2.gz KLUKLNBAIDJYHE-RHSMWYFYSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCOCC1)C1CC1 ZINC001573692386 948263780 /nfs/dbraw/zinc/26/37/80/948263780.db2.gz PHCPVOOQPMNCKT-AWEZNQCLSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1)[C@@H]1CCCO1 ZINC001573692435 948265005 /nfs/dbraw/zinc/26/50/05/948265005.db2.gz PQPADTKDAGZORD-WBMJQRKESA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC1 ZINC001573696520 948328080 /nfs/dbraw/zinc/32/80/80/948328080.db2.gz RRZMWLXXZAHZGB-VLIAUNLRSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001573704255 948367306 /nfs/dbraw/zinc/36/73/06/948367306.db2.gz RCFHCWJHHOYRDS-CHWSQXEVSA-N 1 0 386.485 1.467 20 0 GDADRO C[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cnn(C)c1 ZINC001573704772 948382716 /nfs/dbraw/zinc/38/27/16/948382716.db2.gz AJSHAOUSOXHYQA-VSQXVHSFSA-N 1 0 386.485 1.227 20 0 GDADRO C[C@H](C(=O)NCCN1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573721258 948537899 /nfs/dbraw/zinc/53/78/99/948537899.db2.gz VYBMOCQYEPGNCH-HNNXBMFYSA-N 1 0 383.500 1.147 20 0 GDADRO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573739779 948621950 /nfs/dbraw/zinc/62/19/50/948621950.db2.gz HPEPGTNMQKBVIL-PILAGYSTSA-N 1 0 392.467 1.546 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573746766 948684521 /nfs/dbraw/zinc/68/45/21/948684521.db2.gz KXUWNIPNJLQFKP-KPXOXKRLSA-N 1 0 386.353 1.941 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(F)(F)F ZINC001573752358 948712685 /nfs/dbraw/zinc/71/26/85/948712685.db2.gz NEZQUDHYSPUTAS-FBIMIBRVSA-N 1 0 386.353 1.941 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccc1 ZINC001573753030 948715865 /nfs/dbraw/zinc/71/58/65/948715865.db2.gz QPLRPDSDQXGHGX-DAXOMENPSA-N 1 0 383.431 1.805 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)C1CCC1 ZINC001573753421 948719419 /nfs/dbraw/zinc/71/94/19/948719419.db2.gz UQDOAIYGEOYWEN-YRINGNFDSA-N 1 0 384.459 1.988 20 0 GDADRO CC(C)c1cccc(C(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001574416723 948759836 /nfs/dbraw/zinc/75/98/36/948759836.db2.gz FHXQSDHCTDEQPN-UHFFFAOYSA-N 1 0 380.456 1.989 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001575223302 948764266 /nfs/dbraw/zinc/76/42/66/948764266.db2.gz NKLWARYSGXODPO-NWDGAFQWSA-N 1 0 391.426 1.958 20 0 GDADRO CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574079039 948764532 /nfs/dbraw/zinc/76/45/32/948764532.db2.gz IHOAUMSBWJTDII-CLWVCHIJSA-N 1 0 376.411 1.546 20 0 GDADRO C[C@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574680391 948802914 /nfs/dbraw/zinc/80/29/14/948802914.db2.gz GSHYYAZRNOVUAQ-CQSZACIVSA-N 1 0 387.492 1.230 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574917295 948814470 /nfs/dbraw/zinc/81/44/70/948814470.db2.gz VYGPZEANWUVITN-ZDUSSCGKSA-N 1 0 383.431 1.628 20 0 GDADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001574082819 948867532 /nfs/dbraw/zinc/86/75/32/948867532.db2.gz KWVJPHCNRLADGR-QAPCUYQASA-N 1 0 384.484 1.728 20 0 GDADRO CC(C)(C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573763741 948873626 /nfs/dbraw/zinc/87/36/26/948873626.db2.gz GPBKZGBHZVQPPT-HNNXBMFYSA-N 1 0 392.467 1.459 20 0 GDADRO C[C@@H](CNC(=O)CCc1cscn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574920117 948888064 /nfs/dbraw/zinc/88/80/64/948888064.db2.gz CNVYLGVIZYTHOC-NSHDSACASA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cs1 ZINC001574426623 948891239 /nfs/dbraw/zinc/89/12/39/948891239.db2.gz TYGYFCJQGRTBSP-PHIMTYICSA-N 1 0 384.469 1.636 20 0 GDADRO C[C@@H](CNC(=O)CCc1ncccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920363 948898719 /nfs/dbraw/zinc/89/87/19/948898719.db2.gz JKCBWDPQLSSMRZ-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@H](CNC(=O)CCc1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920481 948906467 /nfs/dbraw/zinc/90/64/67/948906467.db2.gz MFJPHWAMOCGOAH-SNVBAGLBSA-N 1 0 377.499 1.612 20 0 GDADRO C[C@@H](CNC(=O)CCc1nccn1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921431 948925140 /nfs/dbraw/zinc/92/51/40/948925140.db2.gz XFMBEPSCNQTBJD-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433099 948947130 /nfs/dbraw/zinc/94/71/30/948947130.db2.gz GPGQGEBTHNQIPN-LBPRGKRZSA-N 1 0 383.460 1.113 20 0 GDADRO CC(C)c1ncncc1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433318 948951976 /nfs/dbraw/zinc/95/19/76/948951976.db2.gz UDVSAQQCRZMJPG-LBPRGKRZSA-N 1 0 381.444 1.170 20 0 GDADRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001574089611 948963721 /nfs/dbraw/zinc/96/37/21/948963721.db2.gz GARZROWXSULVMO-WBVHZDCISA-N 1 0 390.513 1.750 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574433890 948967045 /nfs/dbraw/zinc/96/70/45/948967045.db2.gz UXIYXURERCFKIS-ZDUSSCGKSA-N 1 0 382.472 1.632 20 0 GDADRO CC(C)c1nnc(N2CC[NH+](CC3CC3)CC2)n1Cc1ccc(-c2nn[nH]n2)o1 ZINC001574434277 948977262 /nfs/dbraw/zinc/97/72/62/948977262.db2.gz GHVYUOFVQWBUOD-UHFFFAOYSA-N 1 0 397.487 1.755 20 0 GDADRO CC(C)[C@@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574689154 948981004 /nfs/dbraw/zinc/98/10/04/948981004.db2.gz DYCKAULYYASULJ-ZFWWWQNUSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001575242626 948987654 /nfs/dbraw/zinc/98/76/54/948987654.db2.gz JGUQXFMIJIFMBQ-SCLBCKFNSA-N 1 0 375.452 1.871 20 0 GDADRO CC(C)(C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)c1c[nH]cn1 ZINC001573773675 948988823 /nfs/dbraw/zinc/98/88/23/948988823.db2.gz CYDJSWKNXDAUAY-UHFFFAOYSA-N 1 0 380.456 1.306 20 0 GDADRO CC(C)c1nnc(C[NH2+][C@@H](C)CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)s1 ZINC001574435359 948993494 /nfs/dbraw/zinc/99/34/94/948993494.db2.gz UGEHNOZWDWJSGB-JTQLQIEISA-N 1 0 389.489 1.468 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC001573774307 949001842 /nfs/dbraw/zinc/00/18/42/949001842.db2.gz MFXPSHUNNFUDJI-QGZVFWFLSA-N 1 0 386.500 1.650 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)Oc1cccnc1 ZINC001575502241 949022480 /nfs/dbraw/zinc/02/24/80/949022480.db2.gz JEBVCJYFZPCRQA-ZIAGYGMSSA-N 1 0 381.440 1.324 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H](C)Oc1ccccn1 ZINC001575503460 949048927 /nfs/dbraw/zinc/04/89/27/949048927.db2.gz QAMJVOUKPBHFBY-ZIAGYGMSSA-N 1 0 381.440 1.324 20 0 GDADRO CC(C)[C@H]1C[C@H](CC(=O)NCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001574092256 949055378 /nfs/dbraw/zinc/05/53/78/949055378.db2.gz MYGMKXUKBNTMKS-RHSMWYFYSA-N 1 0 387.488 1.655 20 0 GDADRO C[C@H](F)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575248291 949068831 /nfs/dbraw/zinc/06/88/31/949068831.db2.gz QJZKICOWLYPRNJ-SCLBCKFNSA-N 1 0 375.452 1.871 20 0 GDADRO CC(C)c1nocc1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001574441867 949083421 /nfs/dbraw/zinc/08/34/21/949083421.db2.gz DDATTYAIYSZGML-OAHLLOKOSA-N 1 0 384.444 1.662 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574694661 949088946 /nfs/dbraw/zinc/08/89/46/949088946.db2.gz UBOHHTLNDMCTLK-HIFRSBDPSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575504949 949100729 /nfs/dbraw/zinc/10/07/29/949100729.db2.gz ZSHMHZCPAUNVCF-CHWSQXEVSA-N 1 0 382.428 1.065 20 0 GDADRO C[C@@H](CCNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)CCC[NH+](C)C ZINC001574695193 949105755 /nfs/dbraw/zinc/10/57/55/949105755.db2.gz DVIFEBJOASPPMY-VIFPVBQESA-N 1 0 386.913 1.625 20 0 GDADRO C[C@@H](NC(=O)C(F)F)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575251056 949124538 /nfs/dbraw/zinc/12/45/38/949124538.db2.gz KPDWMAPVHFDZSG-ZYHUDNBSSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001575251229 949133296 /nfs/dbraw/zinc/13/32/96/949133296.db2.gz MLIVKNOGZFXZQL-NWDGAFQWSA-N 1 0 386.485 1.322 20 0 GDADRO CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001573782850 949133918 /nfs/dbraw/zinc/13/39/18/949133918.db2.gz ZBUNCTHEIAXIKR-UONOGXRCSA-N 1 0 399.503 1.228 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574934327 949155571 /nfs/dbraw/zinc/15/55/71/949155571.db2.gz FDHWSDUAXVTJNI-OAHLLOKOSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@@H](OCC1CC1)C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574697893 949163171 /nfs/dbraw/zinc/16/31/71/949163171.db2.gz 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C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574935367 949200009 /nfs/dbraw/zinc/20/00/09/949200009.db2.gz AWBKVAFXFSVNTI-LBPRGKRZSA-N 1 0 381.440 1.569 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574699111 949227854 /nfs/dbraw/zinc/22/78/54/949227854.db2.gz SRSSFBFUPDXASH-KGLIPLIRSA-N 1 0 382.472 1.405 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CC(F)(F)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574703295 949323218 /nfs/dbraw/zinc/32/32/18/949323218.db2.gz AXGWITFFKLSZCM-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H]1CCC[C@@]1(C)C(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576154430 949337031 /nfs/dbraw/zinc/33/70/31/949337031.db2.gz PJOIGHITEHPSMA-MGPUTAFESA-N 1 0 386.500 1.604 20 0 GDADRO C[C@@H]1CCC[C@@H](OCC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576154624 949349315 /nfs/dbraw/zinc/34/93/15/949349315.db2.gz QIQIVDIYSJLKPB-CZUORRHYSA-N 1 0 390.463 1.807 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001574459823 949366664 /nfs/dbraw/zinc/36/66/64/949366664.db2.gz LMIGOPUSXAQZDF-TXEJJXNPSA-N 1 0 386.485 1.756 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C2CC2)n1 ZINC001574460698 949377345 /nfs/dbraw/zinc/37/73/45/949377345.db2.gz XZTHUWXHOVGXCW-INIZCTEOSA-N 1 0 383.460 1.270 20 0 GDADRO C[C@]1(C(=O)N2CC3(C2)CC[N@H+](Cc2ccc(-c4nn[nH]n4)s2)C3)CCOC1 ZINC001575528204 949388488 /nfs/dbraw/zinc/38/84/88/949388488.db2.gz OUPRLKHRFLMOLL-KRWDZBQOSA-N 1 0 388.497 1.389 20 0 GDADRO CC(C)n1cnc(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC001574464147 949398627 /nfs/dbraw/zinc/39/86/27/949398627.db2.gz GYYXDMFNDRGYHJ-UHFFFAOYSA-N 1 0 380.456 1.696 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001574464312 949405767 /nfs/dbraw/zinc/40/57/67/949405767.db2.gz JXYUYRXEYISGLI-INIZCTEOSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574704938 949413765 /nfs/dbraw/zinc/41/37/65/949413765.db2.gz GFGMSNAQAZCFSH-RKDXNWHRSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@@H](CNC(=O)Cc1cscn1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574946643 949437300 /nfs/dbraw/zinc/43/73/00/949437300.db2.gz WZBGPOJUJTYMFO-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575264817 949437651 /nfs/dbraw/zinc/43/76/51/949437651.db2.gz QZGOKNLADXYJKG-CYBMUJFWSA-N 1 0 387.488 1.013 20 0 GDADRO C[C@@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574946635 949437878 /nfs/dbraw/zinc/43/78/78/949437878.db2.gz WVEQHFISVFTDOJ-NSHDSACASA-N 1 0 387.394 1.377 20 0 GDADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(-c2nn[nH]n2)c1Br ZINC001575868078 949452958 /nfs/dbraw/zinc/45/29/58/949452958.db2.gz LWEJSJWARWDEBS-CABZTGNLSA-N 1 0 379.262 1.794 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCC1(F)F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574707238 949465936 /nfs/dbraw/zinc/46/59/36/949465936.db2.gz OGOBGGQPNSFVQI-GXFFZTMASA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575266024 949467794 /nfs/dbraw/zinc/46/77/94/949467794.db2.gz WTTRRHLPEJOXJJ-OLZOCXBDSA-N 1 0 392.529 1.806 20 0 GDADRO C[C@@H]1CCC[C@H](CC[NH2+]CCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576157215 949479446 /nfs/dbraw/zinc/47/94/46/949479446.db2.gz ZFWQKVWHJRFAPA-HUUCEWRRSA-N 1 0 389.504 1.435 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574708018 949479501 /nfs/dbraw/zinc/47/95/01/949479501.db2.gz RZGVTCBKCQHYKH-QWHCGFSZSA-N 1 0 378.502 1.681 20 0 GDADRO CC(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCCO1 ZINC001574122627 949531961 /nfs/dbraw/zinc/53/19/61/949531961.db2.gz ZCFQAUBGNKAACN-ZDUSSCGKSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575539125 949540720 /nfs/dbraw/zinc/54/07/20/949540720.db2.gz NCHOXZGLUXLVQD-PXNSSMCTSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576164280 949553524 /nfs/dbraw/zinc/55/35/24/949553524.db2.gz GOQHPTVSYYAUGC-VWPFQQQWSA-N 1 0 385.472 1.338 20 0 GDADRO C[C@H]1CCCN(C(=O)C(F)F)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576164899 949560514 /nfs/dbraw/zinc/56/05/14/949560514.db2.gz IFXGLFMEVBQAOK-IINYFYTJSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576165311 949562924 /nfs/dbraw/zinc/56/29/24/949562924.db2.gz JIWWJKLUKWQIMD-CZUORRHYSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575540212 949564147 /nfs/dbraw/zinc/56/41/47/949564147.db2.gz VVTPXABVXUWLLU-HNAYVOBHSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575540365 949565915 /nfs/dbraw/zinc/56/59/15/949565915.db2.gz XCTMHGJAHIDMQB-UGSOOPFHSA-N 1 0 390.513 1.826 20 0 GDADRO C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCO1 ZINC001574475887 949577134 /nfs/dbraw/zinc/57/71/34/949577134.db2.gz DETSLJFIKHDDMM-CRAIPNDOSA-N 1 0 386.500 1.962 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573811065 949585012 /nfs/dbraw/zinc/58/50/12/949585012.db2.gz HCZZIFFUVOEVIX-HIFRSBDPSA-N 1 0 375.477 1.498 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573811001 949587773 /nfs/dbraw/zinc/58/77/73/949587773.db2.gz GLBPPTARXPKADW-FVMIAERFSA-N 1 0 390.513 1.585 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@]1(F)CCOC1 ZINC001573811148 949591072 /nfs/dbraw/zinc/59/10/72/949591072.db2.gz IGVLSDJOHMICCZ-DNVCBOLYSA-N 1 0 390.463 1.616 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574956951 949593541 /nfs/dbraw/zinc/59/35/41/949593541.db2.gz OLIQKHFFJBUDEV-KHIZAZIESA-N 1 0 388.447 1.415 20 0 GDADRO C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576167153 949598214 /nfs/dbraw/zinc/59/82/14/949598214.db2.gz OYGYHKOFZMOBQN-YOEHRIQHSA-N 1 0 387.488 1.752 20 0 GDADRO C[C@H](NC(=O)CCC[NH+](C)C)C1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575270883 949606456 /nfs/dbraw/zinc/60/64/56/949606456.db2.gz GQKOQSKPMWVCQC-ZDUSSCGKSA-N 1 0 389.479 1.284 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@]1(F)CCOC1 ZINC001573811862 949610386 /nfs/dbraw/zinc/61/03/86/949610386.db2.gz OPGFROQDBZOZGQ-KXBFYZLASA-N 1 0 390.463 1.616 20 0 GDADRO CC(C)CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574128224 949621880 /nfs/dbraw/zinc/62/18/80/949621880.db2.gz MNGXFOAQVOXJPG-GFCCVEGCSA-N 1 0 380.518 1.567 20 0 GDADRO CC(C)CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574128655 949627058 /nfs/dbraw/zinc/62/70/58/949627058.db2.gz NWYKAFCHOBYWFO-HNNXBMFYSA-N 1 0 392.479 1.645 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574957710 949629242 /nfs/dbraw/zinc/62/92/42/949629242.db2.gz GNYRJWKYXYXMAH-XFKAJCMBSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575547535 949629935 /nfs/dbraw/zinc/62/99/35/949629935.db2.gz ZFOSMWSULIOZKZ-KUHUBIRLSA-N 1 0 388.447 1.513 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C1=CCOCC1 ZINC001573813249 949630441 /nfs/dbraw/zinc/63/04/41/949630441.db2.gz XJLCVODKRKFDLS-QGZVFWFLSA-N 1 0 384.484 1.834 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714560 949632660 /nfs/dbraw/zinc/63/26/60/949632660.db2.gz FKDJKZWHDHBVIH-ZFWWWQNUSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575272997 949656033 /nfs/dbraw/zinc/65/60/33/949656033.db2.gz UHDGVPZHIQXGAC-LSDHHAIUSA-N 1 0 386.504 1.833 20 0 GDADRO CC1(C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOCC1 ZINC001575548037 949657108 /nfs/dbraw/zinc/65/71/08/949657108.db2.gz NCEPOKMOWOUODU-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](NC(=O)CC[C@H]1CCOC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575274145 949677567 /nfs/dbraw/zinc/67/75/67/949677567.db2.gz ZCUTWXGMDBDNHY-GJZGRUSLSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574716346 949690797 /nfs/dbraw/zinc/69/07/97/949690797.db2.gz JSNXKBLASUOOFS-OCCSQVGLSA-N 1 0 390.467 1.534 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574958959 949698107 /nfs/dbraw/zinc/69/81/07/949698107.db2.gz ORNPJMFJQZPWCA-COLVAYQJSA-N 1 0 384.419 1.127 20 0 GDADRO C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001574478432 949706961 /nfs/dbraw/zinc/70/69/61/949706961.db2.gz ZDZLKKVIPVZSGC-YJBOKZPZSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574959361 949707337 /nfs/dbraw/zinc/70/73/37/949707337.db2.gz QKVNTQUCDOEHIF-CYZMBNFOSA-N 1 0 384.419 1.127 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574959830 949721489 /nfs/dbraw/zinc/72/14/89/949721489.db2.gz UUAIIIVJUVSXQO-MDRZDLKXSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)CCOC1 ZINC001575558772 949741136 /nfs/dbraw/zinc/74/11/36/949741136.db2.gz RVVQSYLQYLAWQL-DFHBCGBQSA-N 1 0 388.497 1.388 20 0 GDADRO C[C@@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCCOC1 ZINC001575558738 949742406 /nfs/dbraw/zinc/74/24/06/949742406.db2.gz RQOLYUBOFKYXRS-KBXCAEBGSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@@H](NC(=O)CCc1cccnc1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277255 949744235 /nfs/dbraw/zinc/74/42/35/949744235.db2.gz PFIJJIOZFPZINB-OAHLLOKOSA-N 1 0 391.479 1.831 20 0 GDADRO 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ZINC001574725068 949890972 /nfs/dbraw/zinc/89/09/72/949890972.db2.gz OORLUQAMYNPPJF-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCOCC1 ZINC001574143441 949893408 /nfs/dbraw/zinc/89/34/08/949893408.db2.gz HPTPGQJBQJHAMK-CQSZACIVSA-N 1 0 389.504 1.746 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1nccn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574725579 949899068 /nfs/dbraw/zinc/89/90/68/949899068.db2.gz SSNALZSABXHIAE-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](CN(C)C(=O)COCC(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574727551 949969693 /nfs/dbraw/zinc/96/96/93/949969693.db2.gz VFCLWMUAFKWPDE-JTQLQIEISA-N 1 0 386.378 1.224 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)C[C@@H](O)C1CCCCC1 ZINC001574974258 949975781 /nfs/dbraw/zinc/97/57/81/949975781.db2.gz MTBIUBPRISEFMM-BLLLJJGKSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H](CN(C)C(=O)COCC1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574727704 949979677 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IMWHOATVYDNFPX-ZWKOTPCHSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)CC(=O)NC1(CO)CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573835562 950059893 /nfs/dbraw/zinc/05/98/93/950059893.db2.gz YFTPHNVKJDZYPN-UHFFFAOYSA-N 1 0 392.529 1.808 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCOC1 ZINC001574151263 950066809 /nfs/dbraw/zinc/06/68/09/950066809.db2.gz OIIOUSRSHNLWER-XJKSGUPXSA-N 1 0 390.463 1.663 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ccncn1 ZINC001574151831 950093137 /nfs/dbraw/zinc/09/31/37/950093137.db2.gz ZBCMKLDUUZMGOU-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2cnccn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575894585 950101954 /nfs/dbraw/zinc/10/19/54/950101954.db2.gz FJPXTQZVRRUTKS-XJKSGUPXSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)CCOC1 ZINC001575582331 950112061 /nfs/dbraw/zinc/11/20/61/950112061.db2.gz IZTJHTKVMFDIJU-ZUMXRPEOSA-N 1 0 388.497 1.149 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCc1ccc2c(c1)CCO2 ZINC001574977276 950117850 /nfs/dbraw/zinc/11/78/50/950117850.db2.gz JCEGIKJOBMAWIE-LBPRGKRZSA-N 1 0 381.440 1.080 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCCOc1ccc(F)cc1 ZINC001574977616 950123175 /nfs/dbraw/zinc/12/31/75/950123175.db2.gz MNBPHPAWAAHBNM-LBPRGKRZSA-N 1 0 387.419 1.511 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cn(C)cn1 ZINC001574153161 950130249 /nfs/dbraw/zinc/13/02/49/950130249.db2.gz OMYFTMJWQNYNNV-OAHLLOKOSA-N 1 0 382.472 1.535 20 0 GDADRO C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576184875 950141582 /nfs/dbraw/zinc/14/15/82/950141582.db2.gz XKVJOTQNXOSFPZ-LSDHHAIUSA-N 1 0 384.488 1.254 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cc[nH]n1 ZINC001574153782 950154127 /nfs/dbraw/zinc/15/41/27/950154127.db2.gz WZJZYLKBYQKMDR-QGZVFWFLSA-N 1 0 382.472 1.453 20 0 GDADRO CC1(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCC1 ZINC001575584243 950164647 /nfs/dbraw/zinc/16/46/47/950164647.db2.gz XHDMKKOTRXJLSQ-LJQANCHMSA-N 1 0 388.447 1.249 20 0 GDADRO CC(C)(C)CC[N@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573844965 950215156 /nfs/dbraw/zinc/21/51/56/950215156.db2.gz PGMZNMNQUZVWTA-HNNXBMFYSA-N 1 0 389.504 1.530 20 0 GDADRO CC(C)C[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574156105 950221792 /nfs/dbraw/zinc/22/17/92/950221792.db2.gz WWLZBMHQDBVWGL-KGLIPLIRSA-N 1 0 389.479 1.900 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901698 950239239 /nfs/dbraw/zinc/23/92/39/950239239.db2.gz PXKLDJJGXNAPAC-BMIGLBTASA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cocn2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576192633 950258349 /nfs/dbraw/zinc/25/83/49/950258349.db2.gz OFZGYBHYYXFMCU-HIFRSBDPSA-N 1 0 381.440 1.743 20 0 GDADRO C[C@H]1CCN(C(=O)c2cocn2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576192829 950271360 /nfs/dbraw/zinc/27/13/60/950271360.db2.gz PTJUNBQZHCRLFF-BBRMVZONSA-N 1 0 381.440 1.743 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cccnc1 ZINC001575903155 950273784 /nfs/dbraw/zinc/27/37/84/950273784.db2.gz YQJDSSBHOHADAR-PXAZEXFGSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576193012 950279362 /nfs/dbraw/zinc/27/93/62/950279362.db2.gz QUFVPERAKJRJNP-NEPJUHHUSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@H]1CCN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576193044 950281448 /nfs/dbraw/zinc/28/14/48/950281448.db2.gz RAEYWEODGMXTSD-GOEBONIOSA-N 1 0 392.467 1.545 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cnccn2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576193047 950282273 /nfs/dbraw/zinc/28/22/73/950282273.db2.gz RAEYWEODGMXTSD-ZBFHGGJFSA-N 1 0 392.467 1.545 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cccn1C ZINC001575904657 950282808 /nfs/dbraw/zinc/28/28/08/950282808.db2.gz AARWLGGPPPFDHG-BLLLJJGKSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1ncc[nH]1 ZINC001575904792 950287831 /nfs/dbraw/zinc/28/78/31/950287831.db2.gz ARPGMPFWFGOFSG-IAQYHMDHSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cccnn1 ZINC001575905086 950288081 /nfs/dbraw/zinc/28/80/81/950288081.db2.gz BDOMEJLTTMFCJI-IAQYHMDHSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1CCN(C(=O)c2cncnc2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576193370 950298325 /nfs/dbraw/zinc/29/83/25/950298325.db2.gz UEVAJEKWQPFJTD-KBXCAEBGSA-N 1 0 392.467 1.545 20 0 GDADRO C[C@H]1CCN(C(=O)c2cncnc2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576193373 950298803 /nfs/dbraw/zinc/29/88/03/950298803.db2.gz UEVAJEKWQPFJTD-KSSFIOAISA-N 1 0 392.467 1.545 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574159259 950300569 /nfs/dbraw/zinc/30/05/69/950300569.db2.gz VEAVCFWADBIOBS-WBOJAVRRSA-N 1 0 385.472 1.194 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cncnc1 ZINC001575907830 950348028 /nfs/dbraw/zinc/34/80/28/950348028.db2.gz RGUJDKFXHABVJR-MEDUHNTESA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1nccs1 ZINC001575908004 950352551 /nfs/dbraw/zinc/35/25/51/950352551.db2.gz SMJWPMSMGNUQQC-HZMBPMFUSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575908153 950355581 /nfs/dbraw/zinc/35/55/81/950355581.db2.gz ANPPSKYZRJTBNI-WBMJQRKESA-N 1 0 392.467 1.471 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ccncc1F ZINC001575908310 950361439 /nfs/dbraw/zinc/36/14/39/950361439.db2.gz UFAJQAGKRUHBAK-SJKOYZFVSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccncc2Cl)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908820 950379634 /nfs/dbraw/zinc/37/96/34/950379634.db2.gz FDFWBDNRTGBAHU-YGRLFVJLSA-N 1 0 386.847 1.636 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cnccn1 ZINC001575908931 950383848 /nfs/dbraw/zinc/38/38/48/950383848.db2.gz XISSBKRSHIPEKE-XHDPSFHLSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575909544 950400088 /nfs/dbraw/zinc/40/00/88/950400088.db2.gz HGBAFXPFKMFLKD-CJNGLKHVSA-N 1 0 392.467 1.402 20 0 GDADRO CC(C)CC1(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC1 ZINC001574165487 950446403 /nfs/dbraw/zinc/44/64/03/950446403.db2.gz DXWXZNBUCWYODC-QGZVFWFLSA-N 1 0 386.500 1.650 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001576203804 950454069 /nfs/dbraw/zinc/45/40/69/950454069.db2.gz JXZHQVYZHNJXGV-IBGZPJMESA-N 1 0 384.488 1.079 20 0 GDADRO 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CC(C)(C)OCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573866920 950517065 /nfs/dbraw/zinc/51/70/65/950517065.db2.gz NSCRSWXVIPWUIX-CYBMUJFWSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1F)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205505 950522600 /nfs/dbraw/zinc/52/26/00/950522600.db2.gz ZGANEUVGAHSJOB-QWHCGFSZSA-N 1 0 390.467 1.438 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753380 950522684 /nfs/dbraw/zinc/52/26/84/950522684.db2.gz LWLUZJMGRJRCKF-GFCCVEGCSA-N 1 0 379.424 1.191 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001576205614 950527001 /nfs/dbraw/zinc/52/70/01/950527001.db2.gz KXFNCQXQOGYTRJ-WDEREUQCSA-N 1 0 378.868 1.174 20 0 GDADRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)CC(F)(F)C1 ZINC001575614384 950528502 /nfs/dbraw/zinc/52/85/02/950528502.db2.gz AGEXOPJVUIEUCB-FICVDOATSA-N 1 0 388.422 1.849 20 0 GDADRO 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GDADRO C[C@H]1CN(C(=O)C2CCOCC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576229382 950966320 /nfs/dbraw/zinc/96/63/20/950966320.db2.gz LZCYYOKWQFEOLC-SMDDNHRTSA-N 1 0 376.486 1.291 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCC1(F)F ZINC001574772508 950969801 /nfs/dbraw/zinc/96/98/01/950969801.db2.gz SYOQMKJZGZCHGG-QMTHXVAHSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CO1 ZINC001575938100 950970367 /nfs/dbraw/zinc/97/03/67/950970367.db2.gz JFQINOBQDFYPBT-WMLDXEAASA-N 1 0 386.500 1.866 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ncccc1O)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574530251 950972782 /nfs/dbraw/zinc/97/27/82/950972782.db2.gz ULFFDHOIIWMHOU-OLZOCXBDSA-N 1 0 381.440 1.654 20 0 GDADRO CC(C)(CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)C1CC1 ZINC001573898145 950975182 /nfs/dbraw/zinc/97/51/82/950975182.db2.gz XZPQHRQGPATHGQ-OKILXGFUSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnn(C)c1 ZINC001574530701 950990676 /nfs/dbraw/zinc/99/06/76/950990676.db2.gz VXOAMEJZOUZJCM-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575023825 951082875 /nfs/dbraw/zinc/08/28/75/951082875.db2.gz QAXKXYFOOYQQIQ-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)CCOC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024736 951111665 /nfs/dbraw/zinc/11/16/65/951111665.db2.gz LQTUDULFOLCZNT-CQSZACIVSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@H](CNC(=O)c1ccc2cccnc2n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025790 951132676 /nfs/dbraw/zinc/13/26/76/951132676.db2.gz AJXYFAKNXWMMNO-GFCCVEGCSA-N 1 0 389.423 1.460 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1OCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575029392 951187863 /nfs/dbraw/zinc/18/78/63/951187863.db2.gz UIXYBYIVCMGLGJ-LBPRGKRZSA-N 1 0 379.424 1.097 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575035321 951274600 /nfs/dbraw/zinc/27/46/00/951274600.db2.gz WKLDNHHJQLWVFB-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575036046 951289276 /nfs/dbraw/zinc/28/92/76/951289276.db2.gz PJEROWMPIJQGGJ-GFCCVEGCSA-N 1 0 378.440 1.434 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001575037581 951308038 /nfs/dbraw/zinc/30/80/38/951308038.db2.gz AULATNBYWQQUMI-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](CNC(=O)c1cn(C2CCC2)nn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575044232 951410747 /nfs/dbraw/zinc/41/07/47/951410747.db2.gz YBBOEQTXZGIMOT-SNVBAGLBSA-N 1 0 387.473 1.153 20 0 GDADRO C[C@@H](CNC(=O)c1onc2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575070702 951654249 /nfs/dbraw/zinc/65/42/49/951654249.db2.gz UFOZBZCCTFIICF-LBPRGKRZSA-N 1 0 381.440 1.642 20 0 GDADRO C[C@@H](CNC(=O)c1snnc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575070648 951654461 /nfs/dbraw/zinc/65/44/61/951654461.db2.gz SXKCPOGVSPUJME-JTQLQIEISA-N 1 0 384.469 1.504 20 0 GDADRO C[C@H](CNC(=O)c1sccc1C[NH+](C)C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575070967 951656069 /nfs/dbraw/zinc/65/60/69/951656069.db2.gz WMCPHPKXTXLMEN-SNVBAGLBSA-N 1 0 387.473 1.010 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)c1ccon1)C1CC1 ZINC001575076985 951658945 /nfs/dbraw/zinc/65/89/45/951658945.db2.gz AAOJRJNCUUYZLP-SFHVURJKSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077369 951668272 /nfs/dbraw/zinc/66/82/72/951668272.db2.gz GFTZILMUZAKGRC-STQMWFEESA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1n[nH]cc1F ZINC001575078439 951681255 /nfs/dbraw/zinc/68/12/55/951681255.db2.gz LOHMZVYEFIBODF-SECBINFHSA-N 1 0 376.371 1.118 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575079719 951696209 /nfs/dbraw/zinc/69/62/09/951696209.db2.gz FZTUAQBBVVUXDX-CJNGLKHVSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1c(F)cccc1F ZINC001575080738 951714987 /nfs/dbraw/zinc/71/49/87/951714987.db2.gz QZELWMPKWJSPQM-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]cc1F)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575082229 951732290 /nfs/dbraw/zinc/73/22/90/951732290.db2.gz WEBCDNRLNGCHPF-SECBINFHSA-N 1 0 376.371 1.024 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001575088691 951741618 /nfs/dbraw/zinc/74/16/18/951741618.db2.gz AUVVELNXAQMQHY-GOSISDBHSA-N 1 0 388.497 1.649 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088717 951743234 /nfs/dbraw/zinc/74/32/34/951743234.db2.gz BPLSQDMUITXSKG-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575089054 951745654 /nfs/dbraw/zinc/74/56/54/951745654.db2.gz CUTBGXKEGOZEJM-QGZVFWFLSA-N 1 0 390.469 1.191 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cnns1 ZINC001575089152 951747349 /nfs/dbraw/zinc/74/73/49/951747349.db2.gz FDJNDMYRAOICHF-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575089670 951751552 /nfs/dbraw/zinc/75/15/52/951751552.db2.gz HDMKACXOXMNFMX-ZFWWWQNUSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]cc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089588 951751689 /nfs/dbraw/zinc/75/16/89/951751689.db2.gz GVNHGTMUSVKDPW-VIFPVBQESA-N 1 0 376.371 1.024 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cc(F)c[nH]1 ZINC001575090629 951762082 /nfs/dbraw/zinc/76/20/82/951762082.db2.gz KWISZURWOUEPRI-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575090685 951763958 /nfs/dbraw/zinc/76/39/58/951763958.db2.gz LCPQTHWMYJILNT-TZMCWYRMSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)n1cccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091101 951768808 /nfs/dbraw/zinc/76/88/08/951768808.db2.gz PCCLKIASSGIHPL-QWHCGFSZSA-N 1 0 386.435 1.305 20 0 GDADRO C[C@@H](CNC(=O)C1(CF)CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091568 951778986 /nfs/dbraw/zinc/77/89/86/951778986.db2.gz VHHFAVCWWGNLAM-GFCCVEGCSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091950 951786500 /nfs/dbraw/zinc/78/65/00/951786500.db2.gz ZNQFEFYDJXOEPY-HXPMCKFVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575092155 951791210 /nfs/dbraw/zinc/79/12/10/951791210.db2.gz AIIUUKXVGCABFM-XFKAJCMBSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098761 951825203 /nfs/dbraw/zinc/82/52/03/951825203.db2.gz GIZUPXAIYRVIEZ-GFCCVEGCSA-N 1 0 378.502 1.587 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575099836 951839137 /nfs/dbraw/zinc/83/91/37/951839137.db2.gz PDQMMFBAXSFLDE-SJCJKPOMSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099937 951841992 /nfs/dbraw/zinc/84/19/92/951841992.db2.gz QNGHOMDNFWDFPM-GFCCVEGCSA-N 1 0 386.485 1.193 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575100920 951849124 /nfs/dbraw/zinc/84/91/24/951849124.db2.gz WQFXIDLAKHYWIM-QWHCGFSZSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101393 951858170 /nfs/dbraw/zinc/85/81/70/951858170.db2.gz CWXMFZLBDYHTPV-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1ccnc(F)c1 ZINC001575101528 951862680 /nfs/dbraw/zinc/86/26/80/951862680.db2.gz GNDOFHPUZZMSGR-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)(NC(=O)c1cn[nH]c1)C1CC1 ZINC001575102376 951867073 /nfs/dbraw/zinc/86/70/73/951867073.db2.gz MGJNUROMCIEGOE-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@H](CNC(=O)c1ccncc1F)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102660 951869836 /nfs/dbraw/zinc/86/98/36/951869836.db2.gz NXHMLHWFKZOHDE-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103377 951875102 /nfs/dbraw/zinc/87/51/02/951875102.db2.gz STLVOHBPDOCUHG-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103831 951877422 /nfs/dbraw/zinc/87/74/22/951877422.db2.gz WJSFBZSXQGVXDV-UKRRQHHQSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)C[C@H](C)n1cccn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105587 951895383 /nfs/dbraw/zinc/89/53/83/951895383.db2.gz KVPVUGUAXPNQAW-GJZGRUSLSA-N 1 0 382.472 1.556 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107910 951920430 /nfs/dbraw/zinc/92/04/30/951920430.db2.gz ILIJMRDJDBPUTG-MDASCCDHSA-N 1 0 398.511 1.771 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnc2n1CCC2 ZINC001575107689 951920596 /nfs/dbraw/zinc/92/05/96/951920596.db2.gz HVGHIGXEDDRCNK-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cccc2ncnn21 ZINC001575110393 951939645 /nfs/dbraw/zinc/93/96/45/951939645.db2.gz ZXPTTZIVUGWCEJ-CYBMUJFWSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575113988 951950536 /nfs/dbraw/zinc/95/05/36/951950536.db2.gz JXFQDSXLSOKYSQ-MGPUTAFESA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](CNC(=O)Cc1ncccc1F)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114756 951959470 /nfs/dbraw/zinc/95/94/70/951959470.db2.gz SGMAUDIPQHXBDX-ZDUSSCGKSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@](C[NH2+]Cc1cncc(F)c1)(NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001575116592 951972375 /nfs/dbraw/zinc/97/23/75/951972375.db2.gz FQZFFEFQQBFSOG-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001575121483 951996072 /nfs/dbraw/zinc/99/60/72/951996072.db2.gz FJZDQEBBSBNHQL-GOEBONIOSA-N 1 0 386.504 1.783 20 0 GDADRO C[C@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001575136459 952126279 /nfs/dbraw/zinc/12/62/79/952126279.db2.gz PFWZMDYUMPXHAS-GFCCVEGCSA-N 1 0 375.452 1.606 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCc2cccnc21 ZINC001575144733 952170917 /nfs/dbraw/zinc/17/09/17/952170917.db2.gz KVCCMNQCQUYASQ-ZFWWWQNUSA-N 1 0 392.467 1.458 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575187172 952437718 /nfs/dbraw/zinc/43/77/18/952437718.db2.gz ADFPAPSDELEBTK-QWHCGFSZSA-N 1 0 383.431 1.618 20 0 GDADRO C[C@@H](Cc1ccccc1F)C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575188099 952445916 /nfs/dbraw/zinc/44/59/16/952445916.db2.gz HMDRJGZLLNBCSV-ZDUSSCGKSA-N 1 0 383.431 1.572 20 0 GDADRO CC(C)[C@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575196239 952475019 /nfs/dbraw/zinc/47/50/19/952475019.db2.gz GDEJTLAKNOVXOA-GUYCJALGSA-N 1 0 383.456 1.708 20 0 GDADRO C[C@@H](F)CC[NH+]1CCC(C2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)CC1 ZINC001571117535 952481819 /nfs/dbraw/zinc/48/18/19/952481819.db2.gz MKDFPEMYOLTAPQ-GFCCVEGCSA-N 1 0 375.452 1.917 20 0 GDADRO CC[C@@H](C[NH+]1CCC([C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1)OC ZINC001571117781 952484114 /nfs/dbraw/zinc/48/41/14/952484114.db2.gz QOVLMWCXEPJFIB-OCCSQVGLSA-N 1 0 375.477 1.450 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575200276 952493629 /nfs/dbraw/zinc/49/36/29/952493629.db2.gz BZGWQJZKNBPNMN-CJNGLKHVSA-N 1 0 380.456 1.159 20 0 GDADRO CO[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001571122362 952525493 /nfs/dbraw/zinc/52/54/93/952525493.db2.gz IYEDPZBYXLNPHW-YVLXSGLVSA-N 1 0 376.486 1.290 20 0 GDADRO CC[C@H](F)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571123674 952530975 /nfs/dbraw/zinc/53/09/75/952530975.db2.gz UAYFCSADHNUXGS-ZBFHGGJFSA-N 1 0 376.436 1.322 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)CC1(O)CCC1 ZINC001571123745 952532677 /nfs/dbraw/zinc/53/26/77/952532677.db2.gz VSANNKJNAXRDCI-VXGBXAGGSA-N 1 0 376.486 1.312 20 0 GDADRO CC(F)(F)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC001575208030 952538187 /nfs/dbraw/zinc/53/81/87/952538187.db2.gz ZPSCOZDLAAIDLU-UHFFFAOYSA-N 1 0 376.411 1.946 20 0 GDADRO O=C(Cc1ccccc1)N[C@@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571128065 952562463 /nfs/dbraw/zinc/56/24/63/952562463.db2.gz OLPAMVOKVDWHHA-JKSUJKDBSA-N 1 0 377.452 1.623 20 0 GDADRO Cc1ncccc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571128359 952566025 /nfs/dbraw/zinc/56/60/25/952566025.db2.gz RIYSUCXVQLOZFJ-IYARVYRRSA-N 1 0 377.452 1.550 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC001571128419 952567386 /nfs/dbraw/zinc/56/73/86/952567386.db2.gz SZJXODOBXTVJDJ-DYVFJYSZSA-N 1 0 377.452 1.934 20 0 GDADRO Cc1c[nH]cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001571128520 952568441 /nfs/dbraw/zinc/56/84/41/952568441.db2.gz VOZDSCLOJUGHNC-IYBDPMFKSA-N 1 0 377.452 1.707 20 0 GDADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001571128972 952572063 /nfs/dbraw/zinc/57/20/63/952572063.db2.gz ZYUPNRQBCILKHQ-UHFFFAOYSA-N 1 0 377.452 1.965 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C)nc1C ZINC001571134323 952588453 /nfs/dbraw/zinc/58/84/53/952588453.db2.gz HNBDNMQDVVACED-DZGCQCFKSA-N 1 0 378.440 1.411 20 0 GDADRO CCN(C(=O)c1cnccn1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571134580 952592979 /nfs/dbraw/zinc/59/29/79/952592979.db2.gz HGYKAYPHOKZNAW-INIZCTEOSA-N 1 0 378.440 1.393 20 0 GDADRO Cc1ccnc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)n1 ZINC001571135315 952602968 /nfs/dbraw/zinc/60/29/68/952602968.db2.gz VONNKDYCCAJDLP-CJNGLKHVSA-N 1 0 378.440 1.358 20 0 GDADRO Cc1ccoc1CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571136575 952615439 /nfs/dbraw/zinc/61/54/39/952615439.db2.gz RGTXLJPYOZFMPM-MNZLEMJZSA-N 1 0 378.436 1.557 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)c1cccnc1 ZINC001571140381 952625373 /nfs/dbraw/zinc/62/53/73/952625373.db2.gz QIGDERVIENUSDS-QLPKVWCKSA-N 1 0 379.399 1.261 20 0 GDADRO O=C(c1cn[nH]c1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571140545 952626900 /nfs/dbraw/zinc/62/69/00/952626900.db2.gz CKRVLAMTAKYWHC-IRXDYDNUSA-N 1 0 378.440 1.469 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571141257 952632563 /nfs/dbraw/zinc/63/25/63/952632563.db2.gz JGAZTAMXPKTZOH-WBMJQRKESA-N 1 0 379.424 1.218 20 0 GDADRO Cc1ocnc1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571142084 952638807 /nfs/dbraw/zinc/63/88/07/952638807.db2.gz OYHVYYKEAHMJBE-JKSUJKDBSA-N 1 0 379.424 1.510 20 0 GDADRO O=C(N[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C12CCC2)c1ccon1 ZINC001571142209 952640064 /nfs/dbraw/zinc/64/00/64/952640064.db2.gz RIICAYDZOPVVHY-HZPDHXFCSA-N 1 0 379.424 1.686 20 0 GDADRO O=C(N[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C12CCC2)c1ccon1 ZINC001571142211 952640096 /nfs/dbraw/zinc/64/00/96/952640096.db2.gz RIICAYDZOPVVHY-JKSUJKDBSA-N 1 0 379.424 1.686 20 0 GDADRO O=C(c1cn[nH]c1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571142799 952646316 /nfs/dbraw/zinc/64/63/16/952646316.db2.gz ZDBTWHBPFFOQBU-IAGOWNOFSA-N 1 0 378.440 1.469 20 0 GDADRO Cc1c(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)ccn1C ZINC001571151034 952671508 /nfs/dbraw/zinc/67/15/08/952671508.db2.gz JKPJABNFANTPSX-CYBMUJFWSA-N 1 0 379.468 1.764 20 0 GDADRO CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001571151403 952674764 /nfs/dbraw/zinc/67/47/64/952674764.db2.gz PWPRYUPHZVGFRV-QGZVFWFLSA-N 1 0 379.468 1.974 20 0 GDADRO Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@@H](C)C2)n1C ZINC001571151650 952676668 /nfs/dbraw/zinc/67/66/68/952676668.db2.gz SSZNQFIDIJXPSK-GUYCJALGSA-N 1 0 379.468 1.764 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]2CN(C)c2cc[nH+]cc2-c2nn[nH]n2)cnn1 ZINC001571156029 952700780 /nfs/dbraw/zinc/70/07/80/952700780.db2.gz BASWSGBXJKNMJK-CQSZACIVSA-N 1 0 379.428 1.101 20 0 GDADRO Cc1cnc(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001571158135 952710370 /nfs/dbraw/zinc/71/03/70/952710370.db2.gz RXSAFQGVPPDMMU-CYBMUJFWSA-N 1 0 379.428 1.019 20 0 GDADRO O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571160520 952726297 /nfs/dbraw/zinc/72/62/97/952726297.db2.gz IUBXWCYTZQYUFJ-GFCCVEGCSA-N 1 0 380.412 1.266 20 0 GDADRO O=C(Cc1ccccc1)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571166728 952763714 /nfs/dbraw/zinc/76/37/14/952763714.db2.gz PDNZARGTPYEQLT-QGZVFWFLSA-N 1 0 380.427 1.939 20 0 GDADRO CCc1nc[nH]c1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571166668 952764300 /nfs/dbraw/zinc/76/43/00/952764300.db2.gz OBIDJIJEWUUPEP-OAHLLOKOSA-N 1 0 380.456 1.547 20 0 GDADRO CCc1[nH]ccc1C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571167221 952771375 /nfs/dbraw/zinc/77/13/75/952771375.db2.gz YUNJFEXCSWHGDI-CYBMUJFWSA-N 1 0 380.456 1.859 20 0 GDADRO Cc1[nH]ccc1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001571169428 952773528 /nfs/dbraw/zinc/77/35/28/952773528.db2.gz CEVVCYZIYGTHIM-BBRMVZONSA-N 1 0 380.456 1.994 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)Cc3ccc[nH]3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169544 952774708 /nfs/dbraw/zinc/77/47/08/952774708.db2.gz GNLSURUAVAHPAN-UKRRQHHQSA-N 1 0 380.456 1.614 20 0 GDADRO Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169587 952775692 /nfs/dbraw/zinc/77/56/92/952775692.db2.gz HGLNMCJJDRFZHB-MRXNPFEDSA-N 1 0 380.456 1.140 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169563 952775800 /nfs/dbraw/zinc/77/58/00/952775800.db2.gz GUZPOLKYVNLXBF-JKSUJKDBSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2CCCN2c2cc(C)[nH+]cc2-c2nn[nH]n2)c(C)[nH]1 ZINC001571169629 952776058 /nfs/dbraw/zinc/77/60/58/952776058.db2.gz IPPSQDAHAAYYSV-AWEZNQCLSA-N 1 0 380.456 1.914 20 0 GDADRO Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cnn1C ZINC001571169694 952777546 /nfs/dbraw/zinc/77/75/46/952777546.db2.gz KOCANUVDGSVHNI-SJKOYZFVSA-N 1 0 380.456 1.159 20 0 GDADRO CN(C)c1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571169905 952780164 /nfs/dbraw/zinc/78/01/64/952780164.db2.gz QEFONBNSRUNBAW-CQSZACIVSA-N 1 0 380.456 1.265 20 0 GDADRO Cc1cnn(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571170143 952783806 /nfs/dbraw/zinc/78/38/06/952783806.db2.gz UDOHLGYZLBOTEN-QGZVFWFLSA-N 1 0 380.456 1.152 20 0 GDADRO Cc1c[nH]c(C(=O)N2CCC(C)([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC001571170457 952785474 /nfs/dbraw/zinc/78/54/74/952785474.db2.gz VBBHIRQRSJLAMM-UHFFFAOYSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1cn(C)nc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170595 952786644 /nfs/dbraw/zinc/78/66/44/952786644.db2.gz XEGHKQBSTLJHKZ-OAHLLOKOSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1ccnn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170911 952790384 /nfs/dbraw/zinc/79/03/84/952790384.db2.gz ZFUDSLIWWHSJTP-MRXNPFEDSA-N 1 0 380.456 1.105 20 0 GDADRO Cn1nccc1C(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571172186 952802346 /nfs/dbraw/zinc/80/23/46/952802346.db2.gz OOXWUZAMIBQWFI-UHFFFAOYSA-N 1 0 380.456 1.385 20 0 GDADRO O=C(Cc1c[nH]cn1)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571172264 952803782 /nfs/dbraw/zinc/80/37/82/952803782.db2.gz REAWAXUMJRHGDQ-SHTZXODSSA-N 1 0 380.456 1.350 20 0 GDADRO O=C(Cc1cc[nH]n1)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571172387 952806617 /nfs/dbraw/zinc/80/66/17/952806617.db2.gz USWUMBDGHYQFJG-GDBMZVCRSA-N 1 0 380.456 1.207 20 0 GDADRO Cn1cnc(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571172596 952808477 /nfs/dbraw/zinc/80/84/77/952808477.db2.gz XZHGTTAPCPSZBV-CABCVRRESA-N 1 0 380.456 1.431 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC001571179365 952852059 /nfs/dbraw/zinc/85/20/59/952852059.db2.gz BVVVCLIPBPPEPJ-RHSMWYFYSA-N 1 0 381.440 1.123 20 0 GDADRO Cc1ccc(CC(=O)N2CCCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)o1 ZINC001571180236 952858693 /nfs/dbraw/zinc/85/86/93/952858693.db2.gz MXHOLPPRGWRFFN-AWEZNQCLSA-N 1 0 381.440 1.621 20 0 GDADRO Cc1cc(N2C[C@H](NC(=O)Cc3ccco3)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180194 952859019 /nfs/dbraw/zinc/85/90/19/952859019.db2.gz MJSCNZKTNIUPFN-UONOGXRCSA-N 1 0 381.440 1.879 20 0 GDADRO Cc1ncc(CC(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC001571180451 952860328 /nfs/dbraw/zinc/86/03/28/952860328.db2.gz OPOVOQGIBKSZGB-UHFFFAOYSA-N 1 0 381.440 1.486 20 0 GDADRO Cc1nc(C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)o1 ZINC001571180995 952861695 /nfs/dbraw/zinc/86/16/95/952861695.db2.gz SRTXGGHAWLSZCH-UHFFFAOYSA-N 1 0 381.440 1.770 20 0 GDADRO CCc1ocnc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571182713 952866923 /nfs/dbraw/zinc/86/69/23/952866923.db2.gz CLKQJMSPERHROJ-AWEZNQCLSA-N 1 0 381.440 1.812 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ncccc1F ZINC001571182703 952867215 /nfs/dbraw/zinc/86/72/15/952867215.db2.gz CDCLSIUFCQKOOQ-CTYIDZIISA-N 1 0 381.415 1.699 20 0 GDADRO CCc1ocnc1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001571182758 952868718 /nfs/dbraw/zinc/86/87/18/952868718.db2.gz DTLKSWAVJFALEB-DOMZBBRYSA-N 1 0 381.440 1.810 20 0 GDADRO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1C ZINC001571183028 952871895 /nfs/dbraw/zinc/87/18/95/952871895.db2.gz MEFQAUOMMSMVJE-CQSZACIVSA-N 1 0 381.440 1.516 20 0 GDADRO COc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1C ZINC001571182974 952872285 /nfs/dbraw/zinc/87/22/85/952872285.db2.gz LCAYPMLHUJAPDT-HNNXBMFYSA-N 1 0 381.440 1.516 20 0 GDADRO CCc1ncoc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571183088 952872924 /nfs/dbraw/zinc/87/29/24/952872924.db2.gz NXTBNAJLWBKYPR-OAHLLOKOSA-N 1 0 381.440 1.764 20 0 GDADRO O=C(NC1CC(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1ccncc1 ZINC001571183171 952873900 /nfs/dbraw/zinc/87/39/00/952873900.db2.gz RGHCEFUIMOZWBC-UHFFFAOYSA-N 1 0 381.415 1.699 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571183203 952874979 /nfs/dbraw/zinc/87/49/79/952874979.db2.gz SIANWRAAXAAFCK-CQSZACIVSA-N 1 0 381.440 1.598 20 0 GDADRO CCc1nc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)co1 ZINC001571183296 952876744 /nfs/dbraw/zinc/87/67/44/952876744.db2.gz WANRXBLAYQOSSQ-SWLSCSKDSA-N 1 0 381.440 1.810 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571190099 952939948 /nfs/dbraw/zinc/93/99/48/952939948.db2.gz FFNZOYNXTNQNIQ-LSPIHWNJSA-N 1 0 381.484 1.626 20 0 GDADRO Cc1cc(NCC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571191736 952947791 /nfs/dbraw/zinc/94/77/91/952947791.db2.gz RWXNHDFYPXWQJR-CWRNSKLLSA-N 1 0 381.484 1.689 20 0 GDADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCN(C(=O)C(F)F)CC1 ZINC001571194762 952967785 /nfs/dbraw/zinc/96/77/85/952967785.db2.gz SBQUNGYIXYOGLZ-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H]1CN(C(=O)c2ccnnc2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571196193 952980798 /nfs/dbraw/zinc/98/07/98/952980798.db2.gz IQEYSGSSGHHUAV-ZBEGNZNMSA-N 1 0 382.403 1.046 20 0 GDADRO CCCc1nc(C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)co1 ZINC001571199785 953005392 /nfs/dbraw/zinc/00/53/92/953005392.db2.gz BWXCFXFBTFPPEO-GFCCVEGCSA-N 1 0 382.428 1.198 20 0 GDADRO O=C(c1ccnnc1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571200004 953006388 /nfs/dbraw/zinc/00/63/88/953006388.db2.gz GZMTXFDWGFHKEZ-ZDUSSCGKSA-N 1 0 382.403 1.048 20 0 GDADRO CCCc1cc(C(=O)N[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001571200000 953006522 /nfs/dbraw/zinc/00/65/22/953006522.db2.gz GVMCDAAQHMTICF-TXEJJXNPSA-N 1 0 382.428 1.305 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@@H]1C ZINC001571200475 953010104 /nfs/dbraw/zinc/01/01/04/953010104.db2.gz IWARLRJQKDCVNU-SWLSCSKDSA-N 1 0 382.424 1.719 20 0 GDADRO COc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)o1 ZINC001571202482 953025572 /nfs/dbraw/zinc/02/55/72/953025572.db2.gz YQTYFYVGIGPIAF-MQMHXKEQSA-N 1 0 382.424 1.767 20 0 GDADRO O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnon1 ZINC001571204943 953035330 /nfs/dbraw/zinc/03/53/30/953035330.db2.gz DLJNGQPBBZSILP-HUUCEWRRSA-N 1 0 382.428 1.328 20 0 GDADRO C[C@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571210359 953071237 /nfs/dbraw/zinc/07/12/37/953071237.db2.gz PRKIAOTYJSACPI-LKIBZCMFSA-N 1 0 382.468 1.228 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CC34CC4)C2)cc1-c1nn[nH]n1 ZINC001571210664 953073946 /nfs/dbraw/zinc/07/39/46/953073946.db2.gz VLLRZKGNXCLZEX-ZBFHGGJFSA-N 1 0 382.468 1.756 20 0 GDADRO O=C(CCn1cccc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571230061 953173639 /nfs/dbraw/zinc/17/36/39/953173639.db2.gz RRHYZZNTDOJBSK-OAHLLOKOSA-N 1 0 383.431 1.588 20 0 GDADRO Cn1cccc1C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571230148 953174563 /nfs/dbraw/zinc/17/45/63/953174563.db2.gz SNIOUMPXBSJYPX-UHFFFAOYSA-N 1 0 383.431 1.643 20 0 GDADRO Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCCO3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232943 953190152 /nfs/dbraw/zinc/19/01/52/953190152.db2.gz MORDCWHHDUOXGM-CRFBAAHOSA-N 1 0 383.456 1.224 20 0 GDADRO C[C@H]1CN(C(=O)c2nccs2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571234032 953198208 /nfs/dbraw/zinc/19/82/08/953198208.db2.gz LBEXTEGYZSDKJN-SWLSCSKDSA-N 1 0 383.481 1.964 20 0 GDADRO O=C(Cc1cncs1)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571234389 953201528 /nfs/dbraw/zinc/20/15/28/953201528.db2.gz VYAXQSXZICXAKG-UHFFFAOYSA-N 1 0 383.481 1.550 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)c1ccc(Cl)[nH]1 ZINC001571234646 953204624 /nfs/dbraw/zinc/20/46/24/953204624.db2.gz FGHVVUWAAOMOGK-VIKVFOODSA-N 1 0 383.843 1.708 20 0 GDADRO CCc1nc[nH]c1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239249 953237488 /nfs/dbraw/zinc/23/74/88/953237488.db2.gz ILTZSDXHFZQTNW-CYBMUJFWSA-N 1 0 384.419 1.296 20 0 GDADRO Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571239605 953241194 /nfs/dbraw/zinc/24/11/94/953241194.db2.gz NTQAQBZQMIMSHZ-QLJPJBMISA-N 1 0 384.419 1.288 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001571240070 953245798 /nfs/dbraw/zinc/24/57/98/953245798.db2.gz YYQYCPFWNJTUJF-CYBMUJFWSA-N 1 0 384.419 1.466 20 0 GDADRO CCc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)[nH]n1 ZINC001571240075 953246351 /nfs/dbraw/zinc/24/63/51/953246351.db2.gz ZCQLEVMKWKTDEV-ZDUSSCGKSA-N 1 0 384.419 1.296 20 0 GDADRO O=C(CC[N@H+]1CC[C@@H](F)C1)Nc1cnn(Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571241490 953246517 /nfs/dbraw/zinc/24/65/17/953246517.db2.gz AWDSXYLDIYWWKZ-OAHLLOKOSA-N 1 0 384.419 1.484 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)[nH]1 ZINC001571241529 953247508 /nfs/dbraw/zinc/24/75/08/953247508.db2.gz CCIPRIXZINFDPL-CYBMUJFWSA-N 1 0 384.419 1.350 20 0 GDADRO Cc1cn(C)nc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571241640 953248143 /nfs/dbraw/zinc/24/81/43/953248143.db2.gz HBVSRZSXHKSZCV-ZDUSSCGKSA-N 1 0 384.419 1.052 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1ncc[nH]1 ZINC001571242019 953251813 /nfs/dbraw/zinc/25/18/13/953251813.db2.gz SWFAODZGZWVMSL-OLZOCXBDSA-N 1 0 384.419 1.560 20 0 GDADRO Cn1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)n1 ZINC001571241986 953251978 /nfs/dbraw/zinc/25/19/78/953251978.db2.gz RVMNCCBHGOPENM-CQSZACIVSA-N 1 0 384.419 1.134 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCN1C(=O)c1csnn1 ZINC001571244535 953264370 /nfs/dbraw/zinc/26/43/70/953264370.db2.gz AIVSPDAHSLYZJW-AWEZNQCLSA-N 1 0 384.469 1.455 20 0 GDADRO Cc1nc(C)c(CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571244791 953267513 /nfs/dbraw/zinc/26/75/13/953267513.db2.gz IVVWKAURPGBUTL-GFCCVEGCSA-N 1 0 384.469 1.012 20 0 GDADRO CCc1ncsc1C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571245304 953272533 /nfs/dbraw/zinc/27/25/33/953272533.db2.gz RLOMJHSQHGXGCN-NSHDSACASA-N 1 0 384.469 1.537 20 0 GDADRO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571245470 953273699 /nfs/dbraw/zinc/27/36/99/953273699.db2.gz IZEMWRNDHMLVJO-NNPSNHGLSA-N 1 0 384.459 1.844 20 0 GDADRO Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)o1 ZINC001571247533 953283122 /nfs/dbraw/zinc/28/31/22/953283122.db2.gz AIFYYARUZUIDRR-WCQYABFASA-N 1 0 384.444 1.522 20 0 GDADRO CC[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571247538 953283459 /nfs/dbraw/zinc/28/34/59/953283459.db2.gz ADEKDZVVEMINHJ-BDXSIMOUSA-N 1 0 384.484 1.809 20 0 GDADRO CCOC1CC(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571247606 953284691 /nfs/dbraw/zinc/28/46/91/953284691.db2.gz AXNFFOGSOCWBQI-AQFXKWCLSA-N 1 0 384.484 1.715 20 0 GDADRO CN(C(=O)C[C@H]1CCCOC1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571247750 953284940 /nfs/dbraw/zinc/28/49/40/953284940.db2.gz DHKXYHPPDMPDMO-FAEJEUNOSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001571248415 953293446 /nfs/dbraw/zinc/29/34/46/953293446.db2.gz STRIBYQTPGGCJT-OXQOHEQNSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3ncccc3-c3nn[nH]n3)C2)C1 ZINC001571249016 953299643 /nfs/dbraw/zinc/29/96/43/953299643.db2.gz AVUKGGZISVOYHC-HUUCEWRRSA-N 1 0 384.488 1.031 20 0 GDADRO CC(C)(C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001571249019 953299708 /nfs/dbraw/zinc/29/97/08/953299708.db2.gz AYYUIYVPTRNFCE-HNNXBMFYSA-N 1 0 384.488 1.539 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571249115 953300542 /nfs/dbraw/zinc/30/05/42/953300542.db2.gz DIDIWFPJXDZYGD-CVEARBPZSA-N 1 0 384.488 1.173 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001571249188 953301548 /nfs/dbraw/zinc/30/15/48/953301548.db2.gz FOERLOZRFJZMSI-GOEBONIOSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@H]1CN(C(=O)C[C@@H]2CCCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571249130 953302033 /nfs/dbraw/zinc/30/20/33/953302033.db2.gz DPFWMPNZYHNTKQ-UWWQBHOKSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001571249191 953302046 /nfs/dbraw/zinc/30/20/46/953302046.db2.gz FPHAJRNETVSCCK-BBRMVZONSA-N 1 0 384.488 1.077 20 0 GDADRO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001571249439 953306302 /nfs/dbraw/zinc/30/63/02/953306302.db2.gz JCCLXDWNNJEYAV-HNNXBMFYSA-N 1 0 384.488 1.032 20 0 GDADRO O=C(C[C@@H]1CCCO1)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571250671 953311950 /nfs/dbraw/zinc/31/19/50/953311950.db2.gz SCQSHJFSGWWQQI-AEFFLSMTSA-N 1 0 384.484 1.764 20 0 GDADRO CN(c1ccncc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001571251793 953319361 /nfs/dbraw/zinc/31/93/61/953319361.db2.gz ABJJGWDYCXNIQT-CABCVRRESA-N 1 0 384.488 1.031 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001571251878 953320655 /nfs/dbraw/zinc/32/06/55/953320655.db2.gz BZCAEIUOWKOGTC-HOCLYGCPSA-N 1 0 384.488 1.300 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001571251953 953321419 /nfs/dbraw/zinc/32/14/19/953321419.db2.gz CLLOUOFKMIRCBE-HOCLYGCPSA-N 1 0 384.488 1.139 20 0 GDADRO Cc1nc(N2C[C@@H](NC(=O)C[NH+]3CCCC3)CC[C@@H]2C)ccc1-c1nn[nH]n1 ZINC001571252322 953326683 /nfs/dbraw/zinc/32/66/83/953326683.db2.gz LANZULVUERLFGP-ZFWWWQNUSA-N 1 0 384.488 1.139 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](Nc3ccc(-c4nn[nH]n4)nc3)C(C)(C)C2)C1 ZINC001571252614 953330604 /nfs/dbraw/zinc/33/06/04/953330604.db2.gz RJNKKLMUXCRPEK-XJKSGUPXSA-N 1 0 384.488 1.252 20 0 GDADRO CN(c1ccncc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001571252688 953331949 /nfs/dbraw/zinc/33/19/49/953331949.db2.gz UCSXUHJPNJJWAD-CABCVRRESA-N 1 0 384.488 1.173 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571254537 953340276 /nfs/dbraw/zinc/34/02/76/953340276.db2.gz HAZFWDAHBOZDAD-YPMHNXCESA-N 1 0 385.403 1.492 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1cncc(F)c1 ZINC001571255557 953351007 /nfs/dbraw/zinc/35/10/07/953351007.db2.gz OLBINGQYIHTNOL-HDJSIYSDSA-N 1 0 385.378 1.591 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccon1 ZINC001571256166 953364763 /nfs/dbraw/zinc/36/47/63/953364763.db2.gz ZPOPHHZYCHSCKL-HUUCEWRRSA-N 1 0 385.403 1.825 20 0 GDADRO O=C([O-])c1ccnc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001594756782 953464756 /nfs/dbraw/zinc/46/47/56/953464756.db2.gz AYYPAGSXBSCRCY-UHFFFAOYSA-N 1 0 384.440 1.509 20 0 GDADRO C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1 ZINC001593781450 954671953 /nfs/dbraw/zinc/67/19/53/954671953.db2.gz YWSCBQLDIXYIEC-MRXNPFEDSA-N 1 0 378.517 1.696 20 0 GDADRO C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001593785056 954692618 /nfs/dbraw/zinc/69/26/18/954692618.db2.gz JNNFYJHHVWPOJG-QGZVFWFLSA-N 1 0 378.517 1.650 20 0 GDADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000874384099 956125948 /nfs/dbraw/zinc/12/59/48/956125948.db2.gz VIWIRRMRHABEBR-UHFFFAOYSA-N 1 0 376.501 1.877 20 0 GDADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)[NH+](C)C ZINC000874401401 956160434 /nfs/dbraw/zinc/16/04/34/956160434.db2.gz KBXOASHJXSQDCN-BEFAXECRSA-N 1 0 376.501 1.834 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001603141888 972232121 /nfs/dbraw/zinc/23/21/21/972232121.db2.gz GHWOMHMKNSJYBN-IAGOWNOFSA-N 1 0 378.517 1.696 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C[C@H]1C[NH+](C)C ZINC001121845101 957221544 /nfs/dbraw/zinc/22/15/44/957221544.db2.gz WKHWKCQGCIDONA-VVWQDTPRSA-N 1 0 388.512 1.680 20 0 GDADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NC3CC[NH+](CC(=O)[O-])CC3)CC2)cc1 ZINC001332349148 957757396 /nfs/dbraw/zinc/75/73/96/957757396.db2.gz VRXRHIIRNGFZNC-UHFFFAOYSA-N 1 0 388.512 1.761 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666563123 968847054 /nfs/dbraw/zinc/84/70/54/968847054.db2.gz TXOROWRRFKBOLU-GOSISDBHSA-N 1 0 376.501 1.942 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC001594518852 985935243 /nfs/dbraw/zinc/93/52/43/985935243.db2.gz DRNHATWKKZTODQ-INIZCTEOSA-N 1 0 392.500 1.317 20 0 GDADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C)C[C@H](C(=O)[O-])C1 ZINC001590981255 991139156 /nfs/dbraw/zinc/13/91/56/991139156.db2.gz RXDPAYVSMRCXIX-OALUTQOASA-N 1 0 390.528 1.801 20 0 GDADRO C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC001598588236 993415159 /nfs/dbraw/zinc/41/51/59/993415159.db2.gz TYTKDMSXOASWKF-OKZBNKHCSA-N 1 0 380.510 1.648 20 0 GDADRO C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[C@H](C(=O)[O-])C1 ZINC001598605156 993635807 /nfs/dbraw/zinc/63/58/07/993635807.db2.gz CXMOHSSSBMWHEU-RTBURBONSA-N 1 0 385.508 1.764 20 0 GDADRO C[N@@H+]1CCN(C(=O)NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)C[C@@H](C(=O)[O-])C1 ZINC001598606197 993663456 /nfs/dbraw/zinc/66/34/56/993663456.db2.gz IFFBTYYCWUMNGX-RXVVDRJESA-N 1 0 388.512 1.556 20 0 GDADRO COC(=O)[C@@]12CCC[C@@H]1[N@H+](C[C@@H](O)C[NH+]1CC[C@@]3(C(=O)[O-])CCC[C@@H]13)CC2 ZINC001598903185 997213057 /nfs/dbraw/zinc/21/30/57/997213057.db2.gz CCFMRYQHUFMVOS-STNJDDFNSA-N 1 0 380.485 1.094 20 0 GDADRO COc1cc2c(c(C[N@H+](CCN3CC[NH+](C)CC3)CC(=O)[O-])c1)O[C@@H](C)C2 ZINC001599462856 998304820 /nfs/dbraw/zinc/30/48/20/998304820.db2.gz NZRHNRMKDVWBHI-HNNXBMFYSA-N 1 0 377.485 1.153 20 0 GDADRO C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001594165857 998620393 /nfs/dbraw/zinc/62/03/93/998620393.db2.gz IHXAJDNCBFHUSZ-YOEHRIQHSA-N 1 0 377.510 1.969 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1CCC(=O)[O-] ZINC001594465694 999684370 /nfs/dbraw/zinc/68/43/70/999684370.db2.gz VGGUDHPHWPBSLU-QGZVFWFLSA-N 1 0 391.512 1.567 20 0 GDADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)cc1C ZINC000453635274 1126093413 /nfs/dbraw/zinc/09/34/13/1126093413.db2.gz SDCPNKUQPKAEKV-WOJBJXKFSA-N 1 0 391.537 1.727 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)s2)[C@@H](O)C1 ZINC000865746015 1126116088 /nfs/dbraw/zinc/11/60/88/1126116088.db2.gz 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Cc1c(Br)cccc1S(=O)(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000175275348 530662700 /nfs/dbraw/zinc/66/27/00/530662700.db2.gz OANMCHDGMGQOTA-LBPRGKRZSA-N 1 0 390.347 1.672 20 0 GDADRO CC(C)[N@H+](C)CCCNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000048106286 530665753 /nfs/dbraw/zinc/66/57/53/530665753.db2.gz XFTNVSOQVICVJF-UHFFFAOYSA-N 1 0 389.543 1.229 20 0 GDADRO O=C(NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)CCCF)CC1 ZINC000175544005 530666711 /nfs/dbraw/zinc/66/67/11/530666711.db2.gz AICYGBUNKIVVHK-UHFFFAOYSA-N 1 0 377.526 1.380 20 0 GDADRO CS(=O)(=O)NCCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000051187456 530678527 /nfs/dbraw/zinc/67/85/27/530678527.db2.gz WKIDVVOXQUPNNM-UHFFFAOYSA-N 1 0 376.404 1.920 20 0 GDADRO C[C@H]1CCC[C@@](CNC(=O)NCc2ccc(S(N)(=O)=O)s2)([NH+](C)C)C1 ZINC000052500562 530685721 /nfs/dbraw/zinc/68/57/21/530685721.db2.gz QTEGIRWGTBNFFH-BLLLJJGKSA-N 1 0 388.559 1.705 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)COc2ccc(F)cc2Br)CC1 ZINC000053305087 530691878 /nfs/dbraw/zinc/69/18/78/530691878.db2.gz NZJDQCNRQOYDNB-UHFFFAOYSA-N 1 0 388.281 1.673 20 0 GDADRO C[N@@H+](Cc1ccc(I)cc1)C[C@@H](O)CN1CCOCC1 ZINC000177364559 530701998 /nfs/dbraw/zinc/70/19/98/530701998.db2.gz IISHSWHQNIILHK-OAHLLOKOSA-N 1 0 390.265 1.416 20 0 GDADRO COc1nc(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)ncc1Br ZINC000177480491 530703921 /nfs/dbraw/zinc/70/39/21/530703921.db2.gz IUDTWZDYZGAYQM-UHFFFAOYSA-N 1 0 398.305 1.238 20 0 GDADRO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000177560698 530705397 /nfs/dbraw/zinc/70/53/97/530705397.db2.gz KMQSUBQLFKOPFO-CYBMUJFWSA-N 1 0 385.511 1.933 20 0 GDADRO CSCC[C@H]1NC(=S)N(Cc2ccnc(N3CC[NH+](C)CC3)c2)C1=O ZINC000055178971 530705689 /nfs/dbraw/zinc/70/56/89/530705689.db2.gz KGSPFVSXZDLAMZ-CQSZACIVSA-N 1 0 379.555 1.172 20 0 GDADRO CSc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000177566606 530705730 /nfs/dbraw/zinc/70/57/30/530705730.db2.gz GFXGVJFETFEHAK-LBPRGKRZSA-N 1 0 384.933 1.753 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCC[NH+]2CCCCC2)c(C)s1 ZINC000178483250 530721687 /nfs/dbraw/zinc/72/16/87/530721687.db2.gz HQYCCYOUPKOXMP-UHFFFAOYSA-N 1 0 388.559 1.428 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000178022472 530714786 /nfs/dbraw/zinc/71/47/86/530714786.db2.gz SUIJILJGZRGGNK-MRXNPFEDSA-N 1 0 379.507 1.717 20 0 GDADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000178261165 530718727 /nfs/dbraw/zinc/71/87/27/530718727.db2.gz SFPMRUYHQCMMPC-LBPRGKRZSA-N 1 0 388.921 1.713 20 0 GDADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178408815 530720108 /nfs/dbraw/zinc/72/01/08/530720108.db2.gz OSZLQJGIDPYONV-XMMPIXPASA-N 1 0 382.507 1.582 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000179421178 530740256 /nfs/dbraw/zinc/74/02/56/530740256.db2.gz LINQDGKTNAXIIL-CQSZACIVSA-N 1 0 385.302 1.915 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179494404 530743134 /nfs/dbraw/zinc/74/31/34/530743134.db2.gz DDJNXHHZCQGXJZ-NSHDSACASA-N 1 0 375.288 1.629 20 0 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C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000179713044 530748485 /nfs/dbraw/zinc/74/84/85/530748485.db2.gz ALGCRURFWQKKJI-UHFFFAOYSA-N 1 0 399.289 1.088 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000180719833 530770724 /nfs/dbraw/zinc/77/07/24/530770724.db2.gz IURIWGUFXPONAC-LLVKDONJSA-N 1 0 379.324 1.343 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)CC(C)C ZINC000067622586 530777615 /nfs/dbraw/zinc/77/76/15/530777615.db2.gz ZDBGVZTXRDNEJK-CVEARBPZSA-N 1 0 376.567 1.466 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(Br)n1 ZINC000181446198 530783670 /nfs/dbraw/zinc/78/36/70/530783670.db2.gz PZEFYNAHZUNFAV-LLVKDONJSA-N 1 0 383.290 1.939 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000069634365 530798197 /nfs/dbraw/zinc/79/81/97/530798197.db2.gz NJJBPOWLPMBOKK-OLZOCXBDSA-N 1 0 393.600 1.528 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCCc1cc(Cl)ccc1Br ZINC000182652303 530802621 /nfs/dbraw/zinc/80/26/21/530802621.db2.gz OJHBIYXHKVIGGQ-GFCCVEGCSA-N 1 0 397.722 1.523 20 0 GDADRO Cc1cc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)ccc1Br ZINC000071149908 530804365 /nfs/dbraw/zinc/80/43/65/530804365.db2.gz WOCPZNMXSYDNKB-UHFFFAOYSA-N 1 0 376.320 1.283 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)nc1 ZINC000182050270 530794308 /nfs/dbraw/zinc/79/43/08/530794308.db2.gz YZJUKZWXKNSALD-LBPRGKRZSA-N 1 0 381.420 1.616 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCCC[NH+]1CCCC1 ZINC000184495362 530828770 /nfs/dbraw/zinc/82/87/70/530828770.db2.gz OLYUXAKYUDIVLN-UHFFFAOYSA-N 1 0 394.269 1.647 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000103449583 530834964 /nfs/dbraw/zinc/83/49/64/530834964.db2.gz UCYXQSZEOVOKHD-UHFFFAOYSA-N 1 0 383.290 1.470 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000103498323 530835525 /nfs/dbraw/zinc/83/55/25/530835525.db2.gz RHLBFFNKJHRUQR-UHFFFAOYSA-N 1 0 375.441 1.140 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)C1 ZINC000183341596 530813213 /nfs/dbraw/zinc/81/32/13/530813213.db2.gz XYIOPPNLAAXTDP-RYUDHWBXSA-N 1 0 378.288 1.356 20 0 GDADRO C[NH+](C)C1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000183459764 530815299 /nfs/dbraw/zinc/81/52/99/530815299.db2.gz JGFOUKPGWGSABL-UHFFFAOYSA-N 1 0 382.258 1.946 20 0 GDADRO NC(=O)[C@H]1CCCN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000106382145 530848016 /nfs/dbraw/zinc/84/80/16/530848016.db2.gz LAXUDKKLLYAYPV-CMPLNLGQSA-N 1 0 377.666 1.792 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCOc1ccccc1Br ZINC000106815982 530849948 /nfs/dbraw/zinc/84/99/48/530849948.db2.gz MTAHSSUZZQGLIK-AWEZNQCLSA-N 1 0 384.318 1.970 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1nc2ncc(Br)cn2n1 ZINC000106788755 530850192 /nfs/dbraw/zinc/85/01/92/530850192.db2.gz KZGBSXOKBNVHHD-LLVKDONJSA-N 1 0 379.262 1.634 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2ccc(Br)cc2)C1 ZINC000106900540 530851367 /nfs/dbraw/zinc/85/13/67/530851367.db2.gz MQGRSVQTCPLVFY-AWEZNQCLSA-N 1 0 397.317 1.836 20 0 GDADRO Cc1cc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1Br ZINC000106895495 530851624 /nfs/dbraw/zinc/85/16/24/530851624.db2.gz INYDRRPQQHHUAL-CYBMUJFWSA-N 1 0 390.347 1.672 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2csc(I)c2)CC1 ZINC000107780393 530854402 /nfs/dbraw/zinc/85/44/02/530854402.db2.gz MMDHUVBSZSDSNU-UHFFFAOYSA-N 1 0 393.294 1.720 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000108561717 530858121 /nfs/dbraw/zinc/85/81/21/530858121.db2.gz JLFMKHIHXMMHQC-ZDUSSCGKSA-N 1 0 397.317 1.820 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000108890506 530860435 /nfs/dbraw/zinc/86/04/35/530860435.db2.gz YFPZZZNOBRAIMZ-CYBMUJFWSA-N 1 0 385.917 1.609 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000186739784 530861134 /nfs/dbraw/zinc/86/11/34/530861134.db2.gz FYOQMFSKUJFSSK-XHDPSFHLSA-N 1 0 393.285 1.663 20 0 GDADRO C[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)CC1(CO)CC1 ZINC000186808969 530863383 /nfs/dbraw/zinc/86/33/83/530863383.db2.gz LWCGNUULCMXRGM-UHFFFAOYSA-N 1 0 387.311 1.741 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCCNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000109699312 530863808 /nfs/dbraw/zinc/86/38/08/530863808.db2.gz XVKQDHLMIJXMSM-HNNXBMFYSA-N 1 0 398.301 1.788 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000109515293 530864086 /nfs/dbraw/zinc/86/40/86/530864086.db2.gz RVMHDISUMMKCHX-INIZCTEOSA-N 1 0 385.555 1.500 20 0 GDADRO OCCC[N@H+](CCO)CCCOc1cccc(I)c1 ZINC000109798364 530864562 /nfs/dbraw/zinc/86/45/62/530864562.db2.gz CNWIGRXCIKYNJY-UHFFFAOYSA-N 1 0 379.238 1.737 20 0 GDADRO CC[N@H+](C)CCNS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000187081938 530866479 /nfs/dbraw/zinc/86/64/79/530866479.db2.gz YCCVKJSTSKKDGI-UHFFFAOYSA-N 1 0 378.292 1.638 20 0 GDADRO [NH3+]Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)co1 ZINC000187220294 530868508 /nfs/dbraw/zinc/86/85/08/530868508.db2.gz FSLADZGCYQVPIE-UHFFFAOYSA-N 1 0 383.857 1.538 20 0 GDADRO Cc1cn2c(C[NH2+]CCS(=O)(=O)NC[C@@H]3CCCCO3)c(C)nc2s1 ZINC000111405291 530875198 /nfs/dbraw/zinc/87/51/98/530875198.db2.gz NJBDNQZQJTYDAG-AWEZNQCLSA-N 1 0 386.543 1.591 20 0 GDADRO Cc1cc(Br)cc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000187278498 530870238 /nfs/dbraw/zinc/87/02/38/530870238.db2.gz BSRUPKZKQHVHAQ-UHFFFAOYSA-N 1 0 391.331 1.883 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000110994524 530871006 /nfs/dbraw/zinc/87/10/06/530871006.db2.gz HJLJCGMIUSEQIS-CQSZACIVSA-N 1 0 380.539 1.980 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000111402634 530875357 /nfs/dbraw/zinc/87/53/57/530875357.db2.gz JFYPYBIJMYJYAU-YPMHNXCESA-N 1 0 378.416 1.734 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000185330512 530840351 /nfs/dbraw/zinc/84/03/51/530840351.db2.gz HZXDJTGZFNSTQL-UHFFFAOYSA-N 1 0 379.507 1.921 20 0 GDADRO C[NH+]1CCC(CNC(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000105172516 530841197 /nfs/dbraw/zinc/84/11/97/530841197.db2.gz UMLHRWWTKLHQRH-UHFFFAOYSA-N 1 0 397.317 1.820 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000105172502 530841800 /nfs/dbraw/zinc/84/18/00/530841800.db2.gz CBUGJJJOCCIBMP-HNNXBMFYSA-N 1 0 397.317 1.915 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(I)c[nH]1 ZINC000115378463 530899585 /nfs/dbraw/zinc/89/95/85/530899585.db2.gz QKAPHXMYPVCEKZ-UHFFFAOYSA-N 1 0 390.269 1.329 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)CSc1nnnn1CC(F)(F)F)C(C)(C)C ZINC000116129383 530903396 /nfs/dbraw/zinc/90/33/96/530903396.db2.gz ZNDMRDTXHGWXEL-JTQLQIEISA-N 1 0 382.456 1.810 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cnc1Br ZINC000188910397 530903887 /nfs/dbraw/zinc/90/38/87/530903887.db2.gz GNSJQKYVGCRYDR-LBPRGKRZSA-N 1 0 383.290 1.891 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c(=O)n(C)c1=O ZINC000188933848 530904325 /nfs/dbraw/zinc/90/43/25/530904325.db2.gz HPIQNKXODIJNJS-CYBMUJFWSA-N 1 0 383.279 1.759 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2sccc2Br)CC1 ZINC000189123769 530907939 /nfs/dbraw/zinc/90/79/39/530907939.db2.gz JCRWLDSKXMAJPL-UHFFFAOYSA-N 1 0 382.349 1.426 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000188099468 530884843 /nfs/dbraw/zinc/88/48/43/530884843.db2.gz RIBSAUAMCGZRAA-OAHLLOKOSA-N 1 0 398.301 1.923 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000188109397 530885545 /nfs/dbraw/zinc/88/55/45/530885545.db2.gz UKCDXDHUXAHLLV-UHFFFAOYSA-N 1 0 386.290 1.781 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000113230949 530887686 /nfs/dbraw/zinc/88/76/86/530887686.db2.gz HQZYKMBFPLOBAN-NWDGAFQWSA-N 1 0 391.946 1.717 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CC[NH2+]1 ZINC000188370423 530893241 /nfs/dbraw/zinc/89/32/41/530893241.db2.gz LQJJFLFWRLFGNO-CYBMUJFWSA-N 1 0 379.507 1.661 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCc2cscn2)cc1Cl ZINC000117064032 530911256 /nfs/dbraw/zinc/91/12/56/530911256.db2.gz ZOQQJTOQJLAMFE-UHFFFAOYSA-N 1 0 382.873 1.992 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000114399377 530895352 /nfs/dbraw/zinc/89/53/52/530895352.db2.gz PIZKVLPWWJVMOL-LLVKDONJSA-N 1 0 394.269 1.455 20 0 GDADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000190372786 530929040 /nfs/dbraw/zinc/92/90/40/530929040.db2.gz MZBLZODORIBQLD-ZDUSSCGKSA-N 1 0 378.926 1.254 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1)[N@H+](C)C1CC1 ZINC000118128878 530917020 /nfs/dbraw/zinc/91/70/20/530917020.db2.gz NRHNATWKHREZBO-JPQMIFPKSA-N 1 0 385.917 1.756 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000189690850 530918842 /nfs/dbraw/zinc/91/88/42/530918842.db2.gz WDZZTRPQTAMZMG-UHFFFAOYSA-N 1 0 399.314 1.820 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000118898863 530919608 /nfs/dbraw/zinc/91/96/08/530919608.db2.gz SPIKPUGXBQAGAJ-LBPRGKRZSA-N 1 0 380.286 1.796 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1)c1cccs1 ZINC000119148216 530922691 /nfs/dbraw/zinc/92/26/91/530922691.db2.gz KWXIVOAWHQIVCS-PWECECGKSA-N 1 0 379.507 1.843 20 0 GDADRO CCO[C@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccc(Br)cn2)C1(C)C ZINC000189971137 530923085 /nfs/dbraw/zinc/92/30/85/530923085.db2.gz LIRAJODSLWPDHM-BLLLJJGKSA-N 1 0 386.290 1.938 20 0 GDADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000190084754 530925196 /nfs/dbraw/zinc/92/51/96/530925196.db2.gz CKCIXRJAEDIZCK-ZDUSSCGKSA-N 1 0 383.283 1.488 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000190166938 530926159 /nfs/dbraw/zinc/92/61/59/530926159.db2.gz JJKYTBCJIJOHAK-UHFFFAOYSA-N 1 0 394.313 1.713 20 0 GDADRO O=S(=O)(NCCCCN1CC[NH+](CCO)CC1)c1ccc(Cl)cc1F ZINC000119515732 530926972 /nfs/dbraw/zinc/92/69/72/530926972.db2.gz DHOCMOUYRBOELN-UHFFFAOYSA-N 1 0 393.912 1.148 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CSc2nnnn2CC(F)(F)F)C1 ZINC000119639174 530928607 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C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(Br)cn2)CCSC1 ZINC000530651927 531399715 /nfs/dbraw/zinc/39/97/15/531399715.db2.gz NZTRVULAYIGLIV-GFCCVEGCSA-N 1 0 380.333 1.560 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CCSC1 ZINC000530651257 531399981 /nfs/dbraw/zinc/39/99/81/531399981.db2.gz ULJBXEAYHPJBCQ-YJBOKZPZSA-N 1 0 379.551 1.755 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000293085994 531400021 /nfs/dbraw/zinc/40/00/21/531400021.db2.gz AMGYAATXXRXUBL-MRXNPFEDSA-N 1 0 381.274 1.645 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc3ccc(Br)cc3c2O)C1 ZINC000444363109 531401980 /nfs/dbraw/zinc/40/19/80/531401980.db2.gz HCGFFIBYAXJFCV-INIZCTEOSA-N 1 0 380.242 1.087 20 0 GDADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCSC1 ZINC000267157068 531404659 /nfs/dbraw/zinc/40/46/59/531404659.db2.gz PONGJDOKGIBRQP-KRWDZBQOSA-N 1 0 383.539 1.529 20 0 GDADRO CON(C)S(=O)(=O)c1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000267155968 531405223 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Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc[nH+]1 ZINC000349627257 531412262 /nfs/dbraw/zinc/41/22/62/531412262.db2.gz WGBNPBQKHXMILS-ZIAGYGMSSA-N 1 0 389.543 1.251 20 0 GDADRO COc1cc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)sc1S(N)(=O)=O ZINC000447087764 531414891 /nfs/dbraw/zinc/41/48/91/531414891.db2.gz QMGJXDUQGAEGIS-LBPRGKRZSA-N 1 0 389.543 1.644 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2nnc(CC(F)(F)F)s2)CC1 ZINC000483958299 531415158 /nfs/dbraw/zinc/41/51/58/531415158.db2.gz RJAQBARAJBPYFE-JTQLQIEISA-N 1 0 381.424 1.857 20 0 GDADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000447242475 531421655 /nfs/dbraw/zinc/42/16/55/531421655.db2.gz GLGTVIZNEWPNCI-HFZWIWRYSA-N 1 0 384.523 1.201 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000447244730 531422431 /nfs/dbraw/zinc/42/24/31/531422431.db2.gz DLKJXMQUMSSPFF-VHSXEESVSA-N 1 0 391.287 1.594 20 0 GDADRO Cc1c(Cl)c(C(=O)NCCC[NH+]2CCCCC2)sc1S(N)(=O)=O ZINC000279257987 531422622 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CN(C)c1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000267495946 531429317 /nfs/dbraw/zinc/42/93/17/531429317.db2.gz FQZUVDOGRAIIOP-KRWDZBQOSA-N 1 0 384.933 1.898 20 0 GDADRO CC[N@H+](CCC1CCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CC1)CC(C)C ZINC000447770857 531434709 /nfs/dbraw/zinc/43/47/09/531434709.db2.gz BBQTYUGZOMWESQ-MRXNPFEDSA-N 1 0 375.579 1.873 20 0 GDADRO C[C@@H]1C[N@@H+](CCCCNC(=O)CNS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000267550665 531435005 /nfs/dbraw/zinc/43/50/05/531435005.db2.gz CTSGIPXIEPWQDR-OKILXGFUSA-N 1 0 389.543 1.032 20 0 GDADRO CC1CCN(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000414282879 531437751 /nfs/dbraw/zinc/43/77/51/531437751.db2.gz IJHMBOPHJLDFCL-UHFFFAOYSA-N 1 0 390.347 1.918 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1Cl ZINC000360300151 531438276 /nfs/dbraw/zinc/43/82/76/531438276.db2.gz XSKNTJMXXKZRND-INIZCTEOSA-N 1 0 385.917 1.751 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CC(=O)Nc2ccc(Br)cn2)CC[N@@H+]1C ZINC000279537784 531440370 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C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CN1C1CC1 ZINC000414360574 531443143 /nfs/dbraw/zinc/44/31/43/531443143.db2.gz GSBVRASAACPGEA-ZYHUDNBSSA-N 1 0 388.331 1.811 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000486043422 531444913 /nfs/dbraw/zinc/44/49/13/531444913.db2.gz SBHHPGDKVZZAKB-CJNGLKHVSA-N 1 0 394.313 1.931 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361811587 531452060 /nfs/dbraw/zinc/45/20/60/531452060.db2.gz CGGSGNSEPRAJBS-NWANDNLSSA-N 1 0 385.917 1.750 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000486388858 531449793 /nfs/dbraw/zinc/44/97/93/531449793.db2.gz SVQBHVRPTXFISZ-UHFFFAOYSA-N 1 0 377.242 1.741 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000449699449 531473271 /nfs/dbraw/zinc/47/32/71/531473271.db2.gz QVHUAJCDXCIVPB-AWEZNQCLSA-N 1 0 393.285 1.663 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415310263 531473370 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1.608 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000449719503 531474503 /nfs/dbraw/zinc/47/45/03/531474503.db2.gz QXLQBJCDULQKJI-RKDXNWHRSA-N 1 0 396.332 1.033 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415322056 531474773 /nfs/dbraw/zinc/47/47/73/531474773.db2.gz ARVOFIHCRMIUIC-NSHDSACASA-N 1 0 385.262 1.261 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)sc2c1CCCS2 ZINC000415332357 531476268 /nfs/dbraw/zinc/47/62/68/531476268.db2.gz PYEYPIIHEKJJQJ-SECBINFHSA-N 1 0 383.495 1.380 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Br)cn1 ZINC000267864198 531458116 /nfs/dbraw/zinc/45/81/16/531458116.db2.gz JNLQIWADUBPZIM-LBPRGKRZSA-N 1 0 380.308 1.479 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1Br ZINC000415351223 531477364 /nfs/dbraw/zinc/47/73/64/531477364.db2.gz ISJNXCPYXBCSSV-QWRGUYRKSA-N 1 0 384.274 1.901 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000267870962 531458745 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CC(C)(C)[NH2+]CCN1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000414735648 531463313 /nfs/dbraw/zinc/46/33/13/531463313.db2.gz MAIPCGMNSVTWDY-UHFFFAOYSA-N 1 0 383.543 1.386 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNCc1ccc(Br)cc1N1CCOCC1 ZINC000414977616 531464221 /nfs/dbraw/zinc/46/42/21/531464221.db2.gz QNZPZZQJDXFCJI-MRXNPFEDSA-N 1 0 383.334 1.279 20 0 GDADRO Cc1oc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1S(=O)(=O)N(C)C ZINC000267999881 531466114 /nfs/dbraw/zinc/46/61/14/531466114.db2.gz RVZOLUFOKVNGRD-OAHLLOKOSA-N 1 0 375.516 1.005 20 0 GDADRO C[NH+]1CCC(C(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000280017860 531467246 /nfs/dbraw/zinc/46/72/46/531467246.db2.gz LOXIYQUFFYNZKR-OAHLLOKOSA-N 1 0 380.286 1.790 20 0 GDADRO Cc1c(NC(=O)N[C@@H](CC[NH3+])C(F)F)cccc1S(=O)(=O)NC1CC1 ZINC000415232229 531468165 /nfs/dbraw/zinc/46/81/65/531468165.db2.gz PYCRECPQYLGGHX-LBPRGKRZSA-N 1 0 376.429 1.540 20 0 GDADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449304282 531468894 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CS(=O)(=O)C1(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000280229873 531482442 /nfs/dbraw/zinc/48/24/42/531482442.db2.gz KGNHTSFJGBEVFG-UHFFFAOYSA-N 1 0 385.555 1.837 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)ccc1Br ZINC000415392775 531482456 /nfs/dbraw/zinc/48/24/56/531482456.db2.gz YJQNREAAYXSGCC-SNVBAGLBSA-N 1 0 384.274 1.982 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415407436 531483364 /nfs/dbraw/zinc/48/33/64/531483364.db2.gz QQTQQORVZUAAKN-MRVPVSSYSA-N 1 0 376.201 1.782 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC[NH2+]1 ZINC000415415850 531484199 /nfs/dbraw/zinc/48/41/99/531484199.db2.gz MEPVMEIRXREXSH-SNVBAGLBSA-N 1 0 377.242 1.756 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(F)c1I ZINC000415411696 531484474 /nfs/dbraw/zinc/48/44/74/531484474.db2.gz BOTBXBBSEQDCAZ-SSDOTTSWSA-N 1 0 379.173 1.174 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)Nc2ccncc2I)CC1 ZINC000415424676 531485021 /nfs/dbraw/zinc/48/50/21/531485021.db2.gz JEUKOZUTYXKPPX-UHFFFAOYSA-N 1 0 388.253 1.962 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415431751 531485356 /nfs/dbraw/zinc/48/53/56/531485356.db2.gz DZKRHDCNNBUBJC-ZDUSSCGKSA-N 1 0 394.273 1.673 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000544184241 531485877 /nfs/dbraw/zinc/48/58/77/531485877.db2.gz VUEJKHJRTUPANN-HOTGVXAUSA-N 1 0 375.535 1.360 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)CC[C@@H]1[NH3+] ZINC000415437533 531486161 /nfs/dbraw/zinc/48/61/61/531486161.db2.gz CLHDPTUASDXURV-ZJUUUORDSA-N 1 0 381.889 1.936 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268221408 531486552 /nfs/dbraw/zinc/48/65/52/531486552.db2.gz QLNLMSPNSMVYBW-MKBNYLNASA-N 1 0 385.917 1.606 20 0 GDADRO CSc1ccc([C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)[NH+](C)C)cc1 ZINC000294595488 531486636 /nfs/dbraw/zinc/48/66/36/531486636.db2.gz XFSNWTCIKHEHIU-CYBMUJFWSA-N 1 0 383.495 1.682 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(I)c1 ZINC000415448534 531486873 /nfs/dbraw/zinc/48/68/73/531486873.db2.gz VCFCERVYSOHMPR-NSHDSACASA-N 1 0 375.210 1.329 20 0 GDADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000415449131 531487196 /nfs/dbraw/zinc/48/71/96/531487196.db2.gz YRCFUSSGAXAFGB-NSHDSACASA-N 1 0 384.274 1.995 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415451095 531487244 /nfs/dbraw/zinc/48/72/44/531487244.db2.gz KNVOMOUTJNWITL-LBPRGKRZSA-N 1 0 387.221 1.392 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)ccc1Br ZINC000415455924 531487973 /nfs/dbraw/zinc/48/79/73/531487973.db2.gz SESJTNAWULIKGZ-GFCCVEGCSA-N 1 0 384.230 1.028 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc2cc(Br)cnc21)C1CC1 ZINC000415455840 531488207 /nfs/dbraw/zinc/48/82/07/531488207.db2.gz SARNONBHCAJXEO-ZDUSSCGKSA-N 1 0 377.242 1.789 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415541429 531492786 /nfs/dbraw/zinc/49/27/86/531492786.db2.gz RGVPDNOSMRNTBX-UHFFFAOYSA-N 1 0 396.644 1.532 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415542644 531492972 /nfs/dbraw/zinc/49/29/72/531492972.db2.gz VRDJPDWWVVUGPO-UHFFFAOYSA-N 1 0 378.654 1.393 20 0 GDADRO C[C@@H]1CN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C[C@H](C)[N@H+]1CCO ZINC000450793384 531510784 /nfs/dbraw/zinc/51/07/84/531510784.db2.gz LPSPOHZAVWPPMH-PHIMTYICSA-N 1 0 381.420 1.244 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000415669183 531511757 /nfs/dbraw/zinc/51/17/57/531511757.db2.gz HKPNAYKJTYHTCX-NSHDSACASA-N 1 0 384.278 1.636 20 0 GDADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450846735 531514071 /nfs/dbraw/zinc/51/40/71/531514071.db2.gz OYYSBIFOIYTRKU-ROUUACIJSA-N 1 0 375.579 1.622 20 0 GDADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)C(F)(F)F ZINC000415717935 531519717 /nfs/dbraw/zinc/51/97/17/531519717.db2.gz FNADNANDFLEMGJ-VXGBXAGGSA-N 1 0 388.456 1.016 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2cc(Br)ccc2F)CCC[NH2+]1 ZINC000415706278 531517062 /nfs/dbraw/zinc/51/70/62/531517062.db2.gz KUMQPBXPROWFEZ-OAHLLOKOSA-N 1 0 388.237 1.412 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNCc1c(F)ccc(I)c1F ZINC000280405966 531493744 /nfs/dbraw/zinc/49/37/44/531493744.db2.gz VYSCTRZZOIMYPQ-CYBMUJFWSA-N 1 0 384.208 1.972 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)C1 ZINC000415556309 531494364 /nfs/dbraw/zinc/49/43/64/531494364.db2.gz CINHRQQKWDDTEC-ZJUUUORDSA-N 1 0 381.889 1.936 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)CC[NH3+])cc1I ZINC000415554080 531494400 /nfs/dbraw/zinc/49/44/00/531494400.db2.gz AYKXVLKJIUMWSA-SECBINFHSA-N 1 0 375.210 1.392 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)CC1 ZINC000415555534 531494738 /nfs/dbraw/zinc/49/47/38/531494738.db2.gz UTLISKMEPBROTH-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])cc(Br)c1F ZINC000415557163 531494842 /nfs/dbraw/zinc/49/48/42/531494842.db2.gz CZGWNITULMDBSB-ZETCQYMHSA-N 1 0 390.209 1.167 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415565267 531495234 /nfs/dbraw/zinc/49/52/34/531495234.db2.gz OTJLIIBHTAXMFE-DTWKUNHWSA-N 1 0 388.251 1.927 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c1OC ZINC000556373738 531495586 /nfs/dbraw/zinc/49/55/86/531495586.db2.gz FSIXTLVPWKZRDJ-SNVBAGLBSA-N 1 0 378.878 1.754 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(F)(F)c1ccccc1Br ZINC000294764237 531496329 /nfs/dbraw/zinc/49/63/29/531496329.db2.gz YKGCJQZBCUNKEO-LLVKDONJSA-N 1 0 376.245 1.903 20 0 GDADRO O=S1(=O)CC[C@](O)(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000294804067 531498215 /nfs/dbraw/zinc/49/82/15/531498215.db2.gz NEUWOSCYQDGFHD-HNNXBMFYSA-N 1 0 388.283 1.364 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCC2=CC[NH2+]CC2)cc1I ZINC000415594270 531500389 /nfs/dbraw/zinc/50/03/89/531500389.db2.gz IIQCAQINZSBRSK-UHFFFAOYSA-N 1 0 399.232 1.574 20 0 GDADRO NS(=O)(=O)c1ccc(NC[C@H]2CCC[N@@H+]2CCCO)c(C(F)(F)F)c1 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[NH3+]CC[C@@H](NC(=O)C(=O)N1CCc2ccc(Br)cc21)C(F)(F)F ZINC000415849686 531543723 /nfs/dbraw/zinc/54/37/23/531543723.db2.gz ZBSVCFBRMXESBX-LLVKDONJSA-N 1 0 394.191 1.734 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415852784 531543804 /nfs/dbraw/zinc/54/38/04/531543804.db2.gz KPSLDYYNNCPHDM-CHWSQXEVSA-N 1 0 395.301 1.939 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)CCN1c2ccc(Br)cc2OCC1=O ZINC000582242763 531544319 /nfs/dbraw/zinc/54/43/19/531544319.db2.gz PVQOOOZADKPNKJ-QWRGUYRKSA-N 1 0 384.274 1.807 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415861656 531545033 /nfs/dbraw/zinc/54/50/33/531545033.db2.gz JCKABCWWVRTQIL-NSHDSACASA-N 1 0 380.857 1.507 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000582291696 531547255 /nfs/dbraw/zinc/54/72/55/531547255.db2.gz QLHWKEILLMIUMX-HNNXBMFYSA-N 1 0 398.301 1.465 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000364230190 531547611 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1.818 20 0 GDADRO COc1cc(Br)c(NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1OC ZINC000582713643 531553735 /nfs/dbraw/zinc/55/37/35/531553735.db2.gz CHPCWENUIMFBRX-SNVBAGLBSA-N 1 0 388.262 1.966 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000415990111 531552210 /nfs/dbraw/zinc/55/22/10/531552210.db2.gz CDMLGFXMHCWRJT-LBPRGKRZSA-N 1 0 382.408 1.016 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000582069827 531533451 /nfs/dbraw/zinc/53/34/51/531533451.db2.gz XDUUSXUBRARKKE-UHFFFAOYSA-N 1 0 388.295 1.950 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636092894 531535450 /nfs/dbraw/zinc/53/54/50/531535450.db2.gz WLXLUQOHIHTWMV-AEGPPILISA-N 1 0 385.917 1.750 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000582130206 531535844 /nfs/dbraw/zinc/53/58/44/531535844.db2.gz VGNUJQNTSKQZIB-UHFFFAOYSA-N 1 0 385.306 1.608 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000659008919 531536117 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Cc1cc(Br)cn2cc(CCNC(=O)N[C@]3(C)CC[NH2+]C3)nc12 ZINC000612903110 531560020 /nfs/dbraw/zinc/56/00/20/531560020.db2.gz IWCKVLHWXHPQQM-MRXNPFEDSA-N 1 0 380.290 1.999 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000451177031 531561714 /nfs/dbraw/zinc/56/17/14/531561714.db2.gz SVAQWOLHNIJUBQ-HZPDHXFCSA-N 1 0 379.517 1.854 20 0 GDADRO C[NH+](C)CC1(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CCC1 ZINC000280985622 531563935 /nfs/dbraw/zinc/56/39/35/531563935.db2.gz BTHUXLZWYHZFGU-UHFFFAOYSA-N 1 0 385.555 1.676 20 0 GDADRO COc1cc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc(Br)c1OC ZINC000583073992 531564099 /nfs/dbraw/zinc/56/40/99/531564099.db2.gz SJIYQHBINQDPOR-YPMHNXCESA-N 1 0 384.274 1.970 20 0 GDADRO CC(C)O[C@]1(CS(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC000659892745 531565018 /nfs/dbraw/zinc/56/50/18/531565018.db2.gz ZEYWXOJAQNCNGK-FGTMMUONSA-N 1 0 376.563 1.858 20 0 GDADRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000281020854 531567559 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O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000636770625 531578037 /nfs/dbraw/zinc/57/80/37/531578037.db2.gz VNOWUHMJNGJIOO-KBPBESRZSA-N 1 0 397.317 1.394 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000268861968 531578353 /nfs/dbraw/zinc/57/83/53/531578353.db2.gz MXPFPQUURAYURI-UHFFFAOYSA-N 1 0 391.291 1.239 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364567100 531578377 /nfs/dbraw/zinc/57/83/77/531578377.db2.gz ZBOFZSRMYMTCJW-IINYFYTJSA-N 1 0 378.372 1.927 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ccc(C)cc1Br ZINC000281096501 531578620 /nfs/dbraw/zinc/57/86/20/531578620.db2.gz ACEJSEAMIHHMTF-UHFFFAOYSA-N 1 0 398.345 1.980 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ccc(C)c(Br)c1 ZINC000281111671 531581002 /nfs/dbraw/zinc/58/10/02/531581002.db2.gz BICHBPFFTUAOEC-UHFFFAOYSA-N 1 0 398.345 1.980 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 ZINC000416375001 531584568 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GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000555942503 531586359 /nfs/dbraw/zinc/58/63/59/531586359.db2.gz WDSSHIFAJANQPS-ZDUSSCGKSA-N 1 0 388.295 1.837 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)C1 ZINC000660028916 531586573 /nfs/dbraw/zinc/58/65/73/531586573.db2.gz YCSHGPDRKRAUHF-GFCCVEGCSA-N 1 0 393.506 1.350 20 0 GDADRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281156141 531586631 /nfs/dbraw/zinc/58/66/31/531586631.db2.gz PHPIXCMPWRBTCX-ARNPGYACSA-N 1 0 397.360 1.904 20 0 GDADRO CC(C)N1C(=O)C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494211473 531590452 /nfs/dbraw/zinc/59/04/52/531590452.db2.gz GPNKOFHQTZGMCS-ZBFHGGJFSA-N 1 0 391.896 1.668 20 0 GDADRO C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000583694831 531590244 /nfs/dbraw/zinc/59/02/44/531590244.db2.gz POSLTNQEHDPLRP-JGVFFNPUSA-N 1 0 387.811 1.489 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000660030326 531590301 /nfs/dbraw/zinc/59/03/01/531590301.db2.gz HNVZCLDTCNGFMG-ZDUSSCGKSA-N 1 0 376.425 1.812 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000268945936 531591678 /nfs/dbraw/zinc/59/16/78/531591678.db2.gz WPVRFIXAOLOTCI-ZDUSSCGKSA-N 1 0 399.289 1.294 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000637001633 531594029 /nfs/dbraw/zinc/59/40/29/531594029.db2.gz MTPWCUCHVWMMIS-GJZGRUSLSA-N 1 0 395.301 1.774 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)C[C@@H](C)COC2CCCC2)CC1 ZINC000559072459 531594417 /nfs/dbraw/zinc/59/44/17/531594417.db2.gz JKSZKOSCGNTTQU-DLBZAZTESA-N 1 0 375.579 1.527 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268988540 531597334 /nfs/dbraw/zinc/59/73/34/531597334.db2.gz JHMGBKALSRPFQZ-YPMHNXCESA-N 1 0 378.491 1.304 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000494334095 531597836 /nfs/dbraw/zinc/59/78/36/531597836.db2.gz UPWDOXSEMZSERJ-LBPRGKRZSA-N 1 0 379.507 1.572 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268986941 531597049 /nfs/dbraw/zinc/59/70/49/531597049.db2.gz IZAOQULUFVFGHY-IUODEOHRSA-N 1 0 375.516 1.133 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000583861750 531598894 /nfs/dbraw/zinc/59/88/94/531598894.db2.gz NJPPIENRFRGDDL-CYBMUJFWSA-N 1 0 387.315 1.124 20 0 GDADRO CCN(C(=O)C(=O)NCc1cc(Br)cnc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000637079477 531599451 /nfs/dbraw/zinc/59/94/51/531599451.db2.gz YDBULPGKGPMSAQ-CYBMUJFWSA-N 1 0 399.289 1.022 20 0 GDADRO C[NH+](C)CCOCCNC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000637078568 531599722 /nfs/dbraw/zinc/59/97/22/531599722.db2.gz GHGQHCMNEAFWRW-VNQPRFMTSA-N 1 0 382.302 1.965 20 0 GDADRO C[NH+](C)Cc1ccc(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000559268232 531601015 /nfs/dbraw/zinc/60/10/15/531601015.db2.gz WSNWPBQIEFBKMU-OAHLLOKOSA-N 1 0 391.269 1.862 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000637096343 531603693 /nfs/dbraw/zinc/60/36/93/531603693.db2.gz INQDNXMMZSTLPZ-HOCLYGCPSA-N 1 0 397.317 1.394 20 0 GDADRO CSCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000269046610 531602018 /nfs/dbraw/zinc/60/20/18/531602018.db2.gz FUFOMUVUIHWZFV-MRXNPFEDSA-N 1 0 385.555 1.217 20 0 GDADRO COc1cc(NC(=O)[C@H]([NH3+])CCSC)ccc1S(=O)(=O)N1CCCC1 ZINC000269055541 531604099 /nfs/dbraw/zinc/60/40/99/531604099.db2.gz GERCLVIMJKOPPE-CYBMUJFWSA-N 1 0 387.527 1.499 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000614845758 531606831 /nfs/dbraw/zinc/60/68/31/531606831.db2.gz DSBXOJORBNJIOH-HZPDHXFCSA-N 1 0 390.311 1.405 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000559759476 531607029 /nfs/dbraw/zinc/60/70/29/531607029.db2.gz KGOZAVIRSUGSJY-AWEZNQCLSA-N 1 0 396.329 1.956 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000269129283 531611937 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C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)[N@H+]1C ZINC000452148403 531768280 /nfs/dbraw/zinc/76/82/80/531768280.db2.gz DNTYDHDDWOOOMP-PHIMTYICSA-N 1 0 394.324 1.823 20 0 GDADRO CCCN(C(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC)[C@H]1CCS(=O)(=O)C1 ZINC000592168056 531769288 /nfs/dbraw/zinc/76/92/88/531769288.db2.gz GZFAHHJNMYMZAS-JKJDWNRSSA-N 1 0 392.587 1.299 20 0 GDADRO C[C@H]1C[N@H+](CCO)CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000452121189 531769560 /nfs/dbraw/zinc/76/95/60/531769560.db2.gz GJMIPOXFMGAEPL-WFASDCNBSA-N 1 0 391.281 1.326 20 0 GDADRO [NH3+][C@H](c1cn(Cc2cc3c(cc2Br)OCO3)nn1)[C@H]1CCCO1 ZINC000640852423 531769561 /nfs/dbraw/zinc/76/95/61/531769561.db2.gz GADRDWJPPUIKJO-IUODEOHRSA-N 1 0 381.230 1.996 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417431745 531769671 /nfs/dbraw/zinc/76/96/71/531769671.db2.gz LEXSILNQUBYSNQ-IUODEOHRSA-N 1 0 397.317 1.996 20 0 GDADRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417431747 531769701 /nfs/dbraw/zinc/76/97/01/531769701.db2.gz LEXSILNQUBYSNQ-WFASDCNBSA-N 1 0 397.317 1.996 20 0 GDADRO COc1ccc(Br)cc1Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000640876602 531769770 /nfs/dbraw/zinc/76/97/70/531769770.db2.gz NFVXNPWXYOYZHE-UHFFFAOYSA-N 1 0 380.290 1.845 20 0 GDADRO [NH3+]Cc1cnn(Cc2cn(Cc3cc4c(cc3Br)OCO4)nn2)c1 ZINC000640852621 531770037 /nfs/dbraw/zinc/77/00/37/531770037.db2.gz KGJUPVHJLXOQJY-UHFFFAOYSA-N 1 0 391.229 1.521 20 0 GDADRO C[NH2+][C@H](C)c1cn(CC(=O)N(C)CCOc2ccc(Br)cc2)nn1 ZINC000640886879 531770768 /nfs/dbraw/zinc/77/07/68/531770768.db2.gz YKFXIXVVNVKREU-GFCCVEGCSA-N 1 0 396.289 1.858 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000640884239 531772412 /nfs/dbraw/zinc/77/24/12/531772412.db2.gz LVXXFXSKRQXDIN-LBPRGKRZSA-N 1 0 386.283 1.760 20 0 GDADRO C[C@@H]1CN(C(=O)NCCNC(=O)c2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000417442643 531772544 /nfs/dbraw/zinc/77/25/44/531772544.db2.gz WLSFGZOPKWGLDM-BXUZGUMPSA-N 1 0 383.290 1.558 20 0 GDADRO Cn1cc(Br)c(Cn2cc(C[C@@H]([NH3+])Cc3ccccc3)nn2)n1 ZINC000641038870 531773460 /nfs/dbraw/zinc/77/34/60/531773460.db2.gz VWOQYPYRYNWXFT-ZDUSSCGKSA-N 1 0 375.274 1.935 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417455373 531774019 /nfs/dbraw/zinc/77/40/19/531774019.db2.gz DVLXOPZAJLFNSN-CQSZACIVSA-N 1 0 383.290 1.702 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417467027 531775052 /nfs/dbraw/zinc/77/50/52/531775052.db2.gz VLBFZNSROPOTPF-AWEZNQCLSA-N 1 0 383.290 1.572 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000667296548 531775216 /nfs/dbraw/zinc/77/52/16/531775216.db2.gz HOCKJQFQBPBXIM-UHFFFAOYSA-N 1 0 395.301 1.856 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)s1 ZINC000297279333 531776461 /nfs/dbraw/zinc/77/64/61/531776461.db2.gz BRSMLXXHTXFPLW-PCBIJLKTSA-N 1 0 385.555 1.794 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000297275501 531776823 /nfs/dbraw/zinc/77/68/23/531776823.db2.gz BEKSYTHQIYRXGV-NSHDSACASA-N 1 0 382.258 1.372 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NC[C@@H]([NH3+])C2CC2)s1 ZINC000417514676 531778235 /nfs/dbraw/zinc/77/82/35/531778235.db2.gz JYDZCZTVUNRIQF-CQSZACIVSA-N 1 0 388.559 1.358 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641121040 531778533 /nfs/dbraw/zinc/77/85/33/531778533.db2.gz QCSJFPBEIWSEIA-GFCCVEGCSA-N 1 0 397.273 1.766 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NC[C@H]([NH3+])C(C)C)s1 ZINC000417520686 531780057 /nfs/dbraw/zinc/78/00/57/531780057.db2.gz XUNAVDKDFXWVJZ-AWEZNQCLSA-N 1 0 390.575 1.604 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418086122 531801389 /nfs/dbraw/zinc/80/13/89/531801389.db2.gz BRWNSXFVSQCWNI-SMDDNHRTSA-N 1 0 381.274 1.545 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)NCC2([NH3+])CCC2)cc1C(F)(F)F ZINC000418087911 531801459 /nfs/dbraw/zinc/80/14/59/531801459.db2.gz IUTATOGDFHQDAI-UHFFFAOYSA-N 1 0 379.404 1.790 20 0 GDADRO CN(C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000418086097 531801841 /nfs/dbraw/zinc/80/18/41/531801841.db2.gz BMBKMJKWJFNHMK-UHFFFAOYSA-N 1 0 379.404 1.740 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000592435941 531785406 /nfs/dbraw/zinc/78/54/06/531785406.db2.gz VNHQZZUPJCVLRW-HNNXBMFYSA-N 1 0 384.267 1.911 20 0 GDADRO C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)Oc1ccc(Br)cc1 ZINC000417774383 531785590 /nfs/dbraw/zinc/78/55/90/531785590.db2.gz KRMRMGJVFWAVFS-JSGCOSHPSA-N 1 0 385.306 1.419 20 0 GDADRO CSc1cccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000510342437 531786365 /nfs/dbraw/zinc/78/63/65/531786365.db2.gz PGFJKCIDKUXTFL-UHFFFAOYSA-N 1 0 387.571 1.077 20 0 GDADRO [NH3+][C@H](c1cn(C[C@@H](O)Cn2cccn2)nn1)c1ccc(Br)cc1 ZINC000641213507 531786439 /nfs/dbraw/zinc/78/64/39/531786439.db2.gz IIEZSZZMIIPSSM-ZFWWWQNUSA-N 1 0 377.246 1.346 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417909027 531788782 /nfs/dbraw/zinc/78/87/82/531788782.db2.gz JHZQPEZFHSKMML-GFCCVEGCSA-N 1 0 385.306 1.680 20 0 GDADRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000282719021 531789192 /nfs/dbraw/zinc/78/91/92/531789192.db2.gz LWKBENJTJBMZNI-ZDUSSCGKSA-N 1 0 375.462 1.438 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2c(F)cccc2I)CCO1 ZINC000592477001 531789901 /nfs/dbraw/zinc/78/99/01/531789901.db2.gz LWRLJORXKRPJSZ-GZMMTYOYSA-N 1 0 378.185 1.619 20 0 GDADRO COC[C@@H](CS(=O)(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)OC ZINC000641262315 531790151 /nfs/dbraw/zinc/79/01/51/531790151.db2.gz DHAYUMPHFQHDAM-KRWDZBQOSA-N 1 0 390.933 1.839 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC000623018632 531790895 /nfs/dbraw/zinc/79/08/95/531790895.db2.gz PSWMSOQVJGNSFC-UHFFFAOYSA-N 1 0 379.262 1.593 20 0 GDADRO CCOc1cc(C[NH2+][C@@H](CC)CNS(C)(=O)=O)cc(Br)c1O ZINC000297438888 531791906 /nfs/dbraw/zinc/79/19/06/531791906.db2.gz NXCABVLXPMFUTB-NSHDSACASA-N 1 0 395.319 1.971 20 0 GDADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCNS(=O)(=O)N(C)C ZINC000668147589 531792178 /nfs/dbraw/zinc/79/21/78/531792178.db2.gz NHDDCIGUIYUXNA-AWEZNQCLSA-N 1 0 378.336 1.756 20 0 GDADRO [NH3+]CCN(CCO)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417954272 531793049 /nfs/dbraw/zinc/79/30/49/531793049.db2.gz PGQCMHWRRLZIIT-UHFFFAOYSA-N 1 0 384.196 1.931 20 0 GDADRO CN(CCCC[NH+](C)C)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623019468 531793152 /nfs/dbraw/zinc/79/31/52/531793152.db2.gz VPDRTQDFUJYIAM-UHFFFAOYSA-N 1 0 381.278 1.839 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000366936462 531793492 /nfs/dbraw/zinc/79/34/92/531793492.db2.gz WUSGEUHXFSJMLW-DRZSPHRISA-N 1 0 377.869 1.165 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000417988149 531795813 /nfs/dbraw/zinc/79/58/13/531795813.db2.gz RRAVPVSHUXXCNS-AWEZNQCLSA-N 1 0 375.300 1.713 20 0 GDADRO C[N@H+](C[C@@H](O)CNCCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000563010266 531796919 /nfs/dbraw/zinc/79/69/19/531796919.db2.gz DMGOYJNOVMPJLM-LBPRGKRZSA-N 1 0 396.340 1.316 20 0 GDADRO Cc1c(Br)cncc1CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000668225596 531798593 /nfs/dbraw/zinc/79/85/93/531798593.db2.gz QTSXPOCRXQNDCF-OAHLLOKOSA-N 1 0 381.318 1.939 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)NCc1nc2c(cccc2Br)[nH]1 ZINC000418266688 531818133 /nfs/dbraw/zinc/81/81/33/531818133.db2.gz NHEREKXIKJQJNU-UHFFFAOYSA-N 1 0 381.278 1.030 20 0 GDADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cn(-c2ccccc2Br)nn1 ZINC000418115477 531803146 /nfs/dbraw/zinc/80/31/46/531803146.db2.gz PKDFGYZUCGDKDR-KBPBESRZSA-N 1 0 394.317 1.917 20 0 GDADRO CCCCC[N@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H](C)CCC ZINC000514002481 531803337 /nfs/dbraw/zinc/80/33/37/531803337.db2.gz XNMNFIMAFLUBQY-CABCVRRESA-N 1 0 375.535 1.680 20 0 GDADRO Cc1nn(C)c(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1Br ZINC000623651313 531818697 /nfs/dbraw/zinc/81/86/97/531818697.db2.gz IWISWUACGDDRBX-LLVKDONJSA-N 1 0 391.277 1.297 20 0 GDADRO O=C(NCCCCn1cc(Br)cn1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000418104829 531803998 /nfs/dbraw/zinc/80/39/98/531803998.db2.gz KWQFVZPIYMGQCX-HNNXBMFYSA-N 1 0 399.337 1.115 20 0 GDADRO COC(=O)CNC(=O)[C@@H]1CCCN1Cc1cc(OC)ccc1Br ZINC000418126686 531804274 /nfs/dbraw/zinc/80/42/74/531804274.db2.gz PLRKTQBDPPIYSF-AWEZNQCLSA-N 1 0 385.258 1.711 20 0 GDADRO CCCN(C(=O)CSCc1cc(=O)n2ccsc2n1)[C@@H]1CC[N@H+](C)C1 ZINC000592830139 531805665 /nfs/dbraw/zinc/80/56/65/531805665.db2.gz CGKBHMPTGYVRDP-CQSZACIVSA-N 1 0 380.539 1.932 20 0 GDADRO C[C@@H]1CN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)[C@@H](C)C[NH2+]1 ZINC000418146392 531805800 /nfs/dbraw/zinc/80/58/00/531805800.db2.gz KPBVSBBOEHEOLQ-OLZOCXBDSA-N 1 0 388.921 1.400 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000563094966 531806452 /nfs/dbraw/zinc/80/64/52/531806452.db2.gz MCXMHMNVKZRXDD-SMDDNHRTSA-N 1 0 391.896 1.781 20 0 GDADRO C[N@@H+]1CCCC[C@H](CNCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000623657254 531818813 /nfs/dbraw/zinc/81/88/13/531818813.db2.gz MGZBOBONPAYMGI-CYBMUJFWSA-N 1 0 390.347 1.918 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1[nH]nc2ccc(I)cc21)C(F)F ZINC000563117226 531808074 /nfs/dbraw/zinc/80/80/74/531808074.db2.gz WWNWGJLIWWOACO-SECBINFHSA-N 1 0 394.163 1.880 20 0 GDADRO [NH3+]C1CCN(C(=O)NCCOc2ccc(I)cc2)CC1 ZINC000418158573 531808416 /nfs/dbraw/zinc/80/84/16/531808416.db2.gz QCYQWCTWLYYVCH-UHFFFAOYSA-N 1 0 389.237 1.803 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c1 ZINC000515467324 531811587 /nfs/dbraw/zinc/81/15/87/531811587.db2.gz YXPRRYHAWDAIPT-ZIAGYGMSSA-N 1 0 376.906 1.402 20 0 GDADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000453246352 531812196 /nfs/dbraw/zinc/81/21/96/531812196.db2.gz IZIGFZYXIYLJPM-QWHCGFSZSA-N 1 0 377.304 1.556 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000515836599 531812666 /nfs/dbraw/zinc/81/26/66/531812666.db2.gz DQANDODNSSRNAT-GXTWGEPZSA-N 1 0 384.274 1.579 20 0 GDADRO COC1([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CCOCC1 ZINC000453209994 531813068 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COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453591176 531816192 /nfs/dbraw/zinc/81/61/92/531816192.db2.gz GQTZDIIKVSFZFQ-UHFFFAOYSA-N 1 0 387.278 1.176 20 0 GDADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418232650 531816244 /nfs/dbraw/zinc/81/62/44/531816244.db2.gz NBHMQXGPAXBFTI-ZIAGYGMSSA-N 1 0 385.917 1.755 20 0 GDADRO O=C(CCNC(=O)NCCN1CC[NH2+]CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000418220865 531816655 /nfs/dbraw/zinc/81/66/55/531816655.db2.gz SUGKDAMYPGXOSL-UHFFFAOYSA-N 1 0 388.299 1.526 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453585483 531816615 /nfs/dbraw/zinc/81/66/15/531816615.db2.gz GNQGPCMHUIEBIA-GTNSWQLSSA-N 1 0 398.301 1.721 20 0 GDADRO NS(=O)(=O)c1sc(Cl)cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000283027275 531823371 /nfs/dbraw/zinc/82/33/71/531823371.db2.gz MKEQEWILAAGWKB-UHFFFAOYSA-N 1 0 377.919 1.653 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000418378654 531823497 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ZINC000642279149 531857008 /nfs/dbraw/zinc/85/70/08/531857008.db2.gz OJXWNEURNXWXLM-HIFRSBDPSA-N 1 0 380.286 1.318 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000418866083 531857801 /nfs/dbraw/zinc/85/78/01/531857801.db2.gz MKVOCHCLARRNPI-QWRGUYRKSA-N 1 0 383.290 1.607 20 0 GDADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)C(=O)N1CCC[NH2+]CC1 ZINC000642327635 531858851 /nfs/dbraw/zinc/85/88/51/531858851.db2.gz RYHKTRMZDKNUFB-CYBMUJFWSA-N 1 0 382.258 1.211 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1ccc(I)cn1 ZINC000454705933 531859267 /nfs/dbraw/zinc/85/92/67/531859267.db2.gz YFDZQRYIFQTPOF-UHFFFAOYSA-N 1 0 377.226 1.384 20 0 GDADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)N(CCO)CC(F)F ZINC000283402946 531859421 /nfs/dbraw/zinc/85/94/21/531859421.db2.gz KHEBGLXITLXSCX-GFCCVEGCSA-N 1 0 375.441 1.087 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc(Br)cn1 ZINC000418873426 531859946 /nfs/dbraw/zinc/85/99/46/531859946.db2.gz XXFALMIAWBYNDX-NWDGAFQWSA-N 1 0 383.290 1.609 20 0 GDADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)C(=O)N[C@H]1CSC1(C)C ZINC000418911984 531861465 /nfs/dbraw/zinc/86/14/65/531861465.db2.gz WEOUIEWIJWZMSP-JSGCOSHPSA-N 1 0 382.555 1.400 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000418913833 531861510 /nfs/dbraw/zinc/86/15/10/531861510.db2.gz OHEJUCSYSBPSIW-RISCZKNCSA-N 1 0 385.917 1.778 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCO1 ZINC000642692627 531861549 /nfs/dbraw/zinc/86/15/49/531861549.db2.gz GYZPRQHKHHRGNX-LEWSCRJBSA-N 1 0 383.901 1.568 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CCC1)C(=O)N1CCC[NH2+]CC1 ZINC000418913489 531861835 /nfs/dbraw/zinc/86/18/35/531861835.db2.gz ADDXPZVWKIZUIX-UHFFFAOYSA-N 1 0 394.313 1.809 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418914512 531862251 /nfs/dbraw/zinc/86/22/51/531862251.db2.gz BCTQPXGKGSVAGB-UHFFFAOYSA-N 1 0 382.302 1.842 20 0 GDADRO CCCN(C(=O)C(=O)NCc1cc(F)cc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000418920807 531862846 /nfs/dbraw/zinc/86/28/46/531862846.db2.gz CBJXQFKOMQMZGY-AWEZNQCLSA-N 1 0 386.265 1.805 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418920316 531863155 /nfs/dbraw/zinc/86/31/55/531863155.db2.gz BNTREMNLMNINAD-RYUDHWBXSA-N 1 0 384.249 1.272 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCCSc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000418919206 531863314 /nfs/dbraw/zinc/86/33/14/531863314.db2.gz WZGVXOJWTAXYFT-ZIAGYGMSSA-N 1 0 385.917 1.513 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2cc(Br)ccc2F)[C@@H](C)C[NH2+]1 ZINC000418916975 531863493 /nfs/dbraw/zinc/86/34/93/531863493.db2.gz AGQZTFBQHGRHQC-QWRGUYRKSA-N 1 0 386.265 1.456 20 0 GDADRO OCCO[C@]1(C[NH2+]Cc2cccc(I)c2)CCOC1 ZINC000594973076 531863929 /nfs/dbraw/zinc/86/39/29/531863929.db2.gz CKFAPPPMEATYLW-AWEZNQCLSA-N 1 0 377.222 1.549 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418928862 531864613 /nfs/dbraw/zinc/86/46/13/531864613.db2.gz ZWIIQUQPWLDYDM-WDEREUQCSA-N 1 0 386.265 1.443 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418931257 531864855 /nfs/dbraw/zinc/86/48/55/531864855.db2.gz GVDPPYNCBYSUOG-OAHLLOKOSA-N 1 0 380.286 1.742 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418925332 531864962 /nfs/dbraw/zinc/86/49/62/531864962.db2.gz RMGUQPKQYBHFFF-ZDUSSCGKSA-N 1 0 386.265 1.457 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418924846 531865097 /nfs/dbraw/zinc/86/50/97/531865097.db2.gz QFQXYWCIVOODEP-NSHDSACASA-N 1 0 386.265 1.315 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC2CCC([NH+](C)C)CC2)s1 ZINC000563851600 531865705 /nfs/dbraw/zinc/86/57/05/531865705.db2.gz YMEHDGFTXROSRE-UHFFFAOYSA-N 1 0 388.559 1.507 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418947318 531870618 /nfs/dbraw/zinc/87/06/18/531870618.db2.gz LWNNYGRHKSOAPJ-LBPRGKRZSA-N 1 0 384.274 1.060 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1cc(F)cc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000418946826 531870709 /nfs/dbraw/zinc/87/07/09/531870709.db2.gz OVCTUOINTJYYDB-JQWIXIFHSA-N 1 0 386.265 1.709 20 0 GDADRO COC[C@]1(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCC[NH2+]1 ZINC000564966165 531870675 /nfs/dbraw/zinc/87/06/75/531870675.db2.gz DLDRXAUBTGIYBG-CQSZACIVSA-N 1 0 384.832 1.988 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCOc3cccc(Br)c3)C[C@@H]12 ZINC000418949345 531870850 /nfs/dbraw/zinc/87/08/50/531870850.db2.gz OCHPRFVXDJKIJC-KCPJHIHWSA-N 1 0 396.285 1.140 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000283515838 531870996 /nfs/dbraw/zinc/87/09/96/531870996.db2.gz WIHJHOGWFQYISZ-LLVKDONJSA-N 1 0 377.304 1.727 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCC[NH2+]1 ZINC000564966159 531871133 /nfs/dbraw/zinc/87/11/33/531871133.db2.gz DLDRXAUBTGIYBG-AWEZNQCLSA-N 1 0 384.832 1.988 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cccc(I)c1 ZINC000595241667 531871523 /nfs/dbraw/zinc/87/15/23/531871523.db2.gz GWKSFTQYRIDGLR-GFCCVEGCSA-N 1 0 389.237 1.719 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CCC1 ZINC000564959759 531871689 /nfs/dbraw/zinc/87/16/89/531871689.db2.gz MZUJINWSWGJMFD-UHFFFAOYSA-N 1 0 388.287 1.494 20 0 GDADRO COC(=O)[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)c1ccccc1Br ZINC000595255929 531873001 /nfs/dbraw/zinc/87/30/01/531873001.db2.gz FXNNFZZEADYGGC-ZDUSSCGKSA-N 1 0 396.245 1.034 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418972359 531874121 /nfs/dbraw/zinc/87/41/21/531874121.db2.gz NLZOMMSPKMIHGS-SNVBAGLBSA-N 1 0 394.273 1.057 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cccc(Br)c3)C[C@@H]21 ZINC000418996400 531877829 /nfs/dbraw/zinc/87/78/29/531877829.db2.gz SQZINVZENAQNPU-CWRNSKLLSA-N 1 0 394.313 1.694 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(I)cn1 ZINC000455751741 531878779 /nfs/dbraw/zinc/87/87/79/531878779.db2.gz NILFPTKPLJTHKV-UHFFFAOYSA-N 1 0 389.237 1.263 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1Br ZINC000419002601 531878839 /nfs/dbraw/zinc/87/88/39/531878839.db2.gz CEXARDQUHLMXOS-GRYCIOLGSA-N 1 0 398.301 1.844 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000419015727 531879762 /nfs/dbraw/zinc/87/97/62/531879762.db2.gz CHTQWDBDSLIMLI-AAEUAGOBSA-N 1 0 382.258 1.209 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000566106478 531879910 /nfs/dbraw/zinc/87/99/10/531879910.db2.gz RCIHPIUSURUCRD-CQSZACIVSA-N 1 0 382.448 1.916 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1Br ZINC000419011113 531879930 /nfs/dbraw/zinc/87/99/30/531879930.db2.gz RTMZQFDXWWTWNU-MNOVXSKESA-N 1 0 384.274 1.442 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000566101572 531880462 /nfs/dbraw/zinc/88/04/62/531880462.db2.gz DMBJZEMRGFZWKT-JTQLQIEISA-N 1 0 396.207 1.981 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NCC2([NH3+])CCC2)cc1Br ZINC000419012548 531880590 /nfs/dbraw/zinc/88/05/90/531880590.db2.gz WVHOJXVKQRXGNN-SNVBAGLBSA-N 1 0 384.274 1.633 20 0 GDADRO COc1ncc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000645583147 531881037 /nfs/dbraw/zinc/88/10/37/531881037.db2.gz ZGJHBFWRMAOBMA-UHFFFAOYSA-N 1 0 376.910 1.048 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419021441 531881345 /nfs/dbraw/zinc/88/13/45/531881345.db2.gz MHEOEIFOKXOGSL-GFCCVEGCSA-N 1 0 382.302 1.884 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419021442 531881892 /nfs/dbraw/zinc/88/18/92/531881892.db2.gz MHEOEIFOKXOGSL-LBPRGKRZSA-N 1 0 382.302 1.884 20 0 GDADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673626811 531881975 /nfs/dbraw/zinc/88/19/75/531881975.db2.gz BJMLYBBTMMLILQ-CQSZACIVSA-N 1 0 389.543 1.013 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)NCc1ccc(OC)c(Br)c1 ZINC000283645406 531882232 /nfs/dbraw/zinc/88/22/32/531882232.db2.gz COFRFWWRBGBGJD-UHFFFAOYSA-N 1 0 386.290 1.532 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625166387 531882837 /nfs/dbraw/zinc/88/28/37/531882837.db2.gz QKNDEJAYQDOOEE-UHFFFAOYSA-N 1 0 388.452 1.470 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419023318 531883557 /nfs/dbraw/zinc/88/35/57/531883557.db2.gz OXZQISGLMUNAKI-SWLSCSKDSA-N 1 0 382.302 1.836 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000419034190 531883988 /nfs/dbraw/zinc/88/39/88/531883988.db2.gz DGEANRDCQHQVNR-ZDUSSCGKSA-N 1 0 378.885 1.682 20 0 GDADRO CN(CCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)S(C)(=O)=O ZINC000673770500 531884138 /nfs/dbraw/zinc/88/41/38/531884138.db2.gz LZQOBMYWNINAJZ-HNNXBMFYSA-N 1 0 390.937 1.523 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1Br ZINC000673800904 531884296 /nfs/dbraw/zinc/88/42/96/531884296.db2.gz MIQCAVWFWQXZEO-INIZCTEOSA-N 1 0 396.329 1.894 20 0 GDADRO COc1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000367832828 531869870 /nfs/dbraw/zinc/86/98/70/531869870.db2.gz PSANRFAOOBFQCV-CYBMUJFWSA-N 1 0 375.288 1.878 20 0 GDADRO CC[NH+]1CCN(CCC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000283515903 531870282 /nfs/dbraw/zinc/87/02/82/531870282.db2.gz ZZHPVJNTJWNCMR-MRXNPFEDSA-N 1 0 384.318 1.626 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000298272722 531870350 /nfs/dbraw/zinc/87/03/50/531870350.db2.gz IPFWOQUNIVDCJN-CABCVRRESA-N 1 0 376.906 1.483 20 0 GDADRO CC[C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC[C@H]1[NH3+] ZINC000647006126 531892149 /nfs/dbraw/zinc/89/21/49/531892149.db2.gz LHTYCZVLXWLEIL-RBSFLKMASA-N 1 0 385.555 1.877 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000419051468 531892584 /nfs/dbraw/zinc/89/25/84/531892584.db2.gz FSOUWGRRCMWVTM-TVQRCGJNSA-N 1 0 387.267 1.021 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419055297 531893485 /nfs/dbraw/zinc/89/34/85/531893485.db2.gz OAVPTUREBAPJFP-MNOVXSKESA-N 1 0 386.265 1.456 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419054934 531893781 /nfs/dbraw/zinc/89/37/81/531893781.db2.gz NDDCJZBSMVCRBL-GHMZBOCLSA-N 1 0 386.265 1.456 20 0 GDADRO C[C@@H]([NH3+])CNS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000647273539 531893868 /nfs/dbraw/zinc/89/38/68/531893868.db2.gz WCSVUSVDNVJRGD-SCSAIBSYSA-N 1 0 384.639 1.575 20 0 GDADRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2Br)C1 ZINC000647272041 531894389 /nfs/dbraw/zinc/89/43/89/531894389.db2.gz ZAJHEVZXDMZDAJ-OCAPTIKFSA-N 1 0 384.093 1.980 20 0 GDADRO C[C@@H]([NH3+])CNS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000647273877 531894463 /nfs/dbraw/zinc/89/44/63/531894463.db2.gz NBXHLYVFCPHIEQ-MRVPVSSYSA-N 1 0 384.285 1.086 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419057743 531894987 /nfs/dbraw/zinc/89/49/87/531894987.db2.gz VEIKZQMEXAKRSO-VIFPVBQESA-N 1 0 376.682 1.690 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1nn(C(C)(C)C)cc1Br ZINC000595950330 531895164 /nfs/dbraw/zinc/89/51/64/531895164.db2.gz JOHOBTCDQUJZPK-LLVKDONJSA-N 1 0 387.278 1.378 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1sc2c(c1I)CNC2 ZINC000595950371 531896033 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378.420 1.927 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CC[NH2+]1 ZINC000419040131 531887570 /nfs/dbraw/zinc/88/75/70/531887570.db2.gz MDENYNFZEMOPCC-GWCFXTLKSA-N 1 0 382.258 1.209 20 0 GDADRO CC[C@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1nc(C(F)(F)F)cs1 ZINC000419042547 531888675 /nfs/dbraw/zinc/88/86/75/531888675.db2.gz LUGPONDAPRVLGD-UWVGGRQHSA-N 1 0 378.420 1.988 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419043258 531888721 /nfs/dbraw/zinc/88/87/21/531888721.db2.gz NCZSJZKJOLYXMZ-UTLUCORTSA-N 1 0 378.420 1.925 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)CC[NH2+]1 ZINC000419042846 531888783 /nfs/dbraw/zinc/88/87/83/531888783.db2.gz MILSFTBUGIWBCH-UHFFFAOYSA-N 1 0 375.803 1.768 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000419046537 531889342 /nfs/dbraw/zinc/88/93/42/531889342.db2.gz VPWOOUNDZBQVIQ-BXKDBHETSA-N 1 0 375.803 1.753 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c1OC ZINC000566687078 531891127 /nfs/dbraw/zinc/89/11/27/531891127.db2.gz VNJHSHSVZLBOJR-GXSJLCMTSA-N 1 0 375.878 1.209 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(I)cc1)[NH+](C)C ZINC000298609274 531904998 /nfs/dbraw/zinc/90/49/98/531904998.db2.gz SOQCPEGCHZAONJ-VIFPVBQESA-N 1 0 375.210 1.296 20 0 GDADRO O=C(NCc1cc(F)ccc1Br)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419158018 531905413 /nfs/dbraw/zinc/90/54/13/531905413.db2.gz MIWGLEBQBDZIGS-FUNVUKJBSA-N 1 0 384.249 1.604 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccccc3Br)C[C@@H]21 ZINC000419153445 531905720 /nfs/dbraw/zinc/90/57/20/531905720.db2.gz WAVLIPODQYCWRS-KCQAQPDRSA-N 1 0 380.286 1.651 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000567989813 531906741 /nfs/dbraw/zinc/90/67/41/531906741.db2.gz QMUFDUFKLPOZAX-INIZCTEOSA-N 1 0 389.949 1.920 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCc2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000419162063 531907206 /nfs/dbraw/zinc/90/72/06/531907206.db2.gz SZDUIHHEDLBRQX-CMPLNLGQSA-N 1 0 386.265 1.648 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC2)c(C)s1 ZINC000647967753 531907487 /nfs/dbraw/zinc/90/74/87/531907487.db2.gz ZZPOKOPOJFADBL-MRXNPFEDSA-N 1 0 389.587 1.372 20 0 GDADRO O=C1CCCN1C[C@H](O)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000674878916 531907952 /nfs/dbraw/zinc/90/79/52/531907952.db2.gz SRZPIHVTHNDYQM-GOEBONIOSA-N 1 0 382.302 1.601 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368385450 531908084 /nfs/dbraw/zinc/90/80/84/531908084.db2.gz OIJWRQPQVWDROU-CIUDSAMLSA-N 1 0 378.267 1.445 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000568491708 531908240 /nfs/dbraw/zinc/90/82/40/531908240.db2.gz KVIXTJXMCUDOQP-UWVGGRQHSA-N 1 0 378.420 1.927 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419169666 531908300 /nfs/dbraw/zinc/90/83/00/531908300.db2.gz UZVPIONCGUYNNT-BETUJISGSA-N 1 0 386.279 1.304 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419169386 531908841 /nfs/dbraw/zinc/90/88/41/531908841.db2.gz UOBXWAUGUAEQOA-OCCSQVGLSA-N 1 0 380.286 1.442 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3ccc(Br)cc3)C[C@@H]21 ZINC000419188629 531909802 /nfs/dbraw/zinc/90/98/02/531909802.db2.gz KEVMHLMUQOKFJJ-VNQPRFMTSA-N 1 0 394.313 1.694 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419185305 531910182 /nfs/dbraw/zinc/91/01/82/531910182.db2.gz KQMWZGAZHBSBLA-DOMZBBRYSA-N 1 0 396.329 1.957 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419185870 531910241 /nfs/dbraw/zinc/91/02/41/531910241.db2.gz PNGLVAFPBNQXNJ-ADEWGFFLSA-N 1 0 386.315 1.631 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419185311 531910321 /nfs/dbraw/zinc/91/03/21/531910321.db2.gz KQMWZGAZHBSBLA-WFASDCNBSA-N 1 0 396.329 1.957 20 0 GDADRO C[C@H](C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[NH+]1CC(C)C1 ZINC000568529926 531910850 /nfs/dbraw/zinc/91/08/50/531910850.db2.gz LQXSUVKVRNXSOP-LLVKDONJSA-N 1 0 377.869 1.214 20 0 GDADRO O=C(NCCc1ccccc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419199800 531912166 /nfs/dbraw/zinc/91/21/66/531912166.db2.gz CYTPNESNAVVBCE-SOUVJXGZSA-N 1 0 394.313 1.612 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419207402 531913205 /nfs/dbraw/zinc/91/32/05/531913205.db2.gz OSKRVLUFQBUKMW-YPMHNXCESA-N 1 0 396.285 1.142 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419207555 531913494 /nfs/dbraw/zinc/91/34/94/531913494.db2.gz PFADTUJGRUIRCN-AAEUAGOBSA-N 1 0 398.301 1.517 20 0 GDADRO O=S(=O)(c1ccc(Br)cc1)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647869572 531899757 /nfs/dbraw/zinc/89/97/57/531899757.db2.gz VUSCLICYVBSWJU-ZDUSSCGKSA-N 1 0 388.331 1.365 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C[C@@H](C)[NH2+]1 ZINC000419082882 531899816 /nfs/dbraw/zinc/89/98/16/531899816.db2.gz VGFXGCGWSPNYBX-CHWSQXEVSA-N 1 0 394.313 1.806 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc4c(cc3Br)OCCO4)C[C@@H]21 ZINC000456174830 531900119 /nfs/dbraw/zinc/90/01/19/531900119.db2.gz VUGFRPDOUZCJHF-RISCZKNCSA-N 1 0 381.270 1.925 20 0 GDADRO O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419105259 531901323 /nfs/dbraw/zinc/90/13/23/531901323.db2.gz NPWCQHNWYODPSN-WDEREUQCSA-N 1 0 378.885 1.634 20 0 GDADRO COc1cccc(Cl)c1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000283839037 531902296 /nfs/dbraw/zinc/90/22/96/531902296.db2.gz ALXYGOZTPFATQW-KRWDZBQOSA-N 1 0 385.917 1.518 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419129485 531902439 /nfs/dbraw/zinc/90/24/39/531902439.db2.gz DERYFCXBPPWXRX-FZMZJTMJSA-N 1 0 388.295 1.993 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 ZINC000419132048 531903031 /nfs/dbraw/zinc/90/30/31/531903031.db2.gz ARKZMWOCKKLWQX-UHFFFAOYSA-N 1 0 388.295 1.837 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCc2cc(F)ccc2Br)CC1 ZINC000419145782 531904655 /nfs/dbraw/zinc/90/46/55/531904655.db2.gz HBQYTGUMEITWGJ-UHFFFAOYSA-N 1 0 386.265 1.662 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419142361 531904715 /nfs/dbraw/zinc/90/47/15/531904715.db2.gz XVEUSLLLPDUNGM-RISCZKNCSA-N 1 0 388.295 1.993 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C[NH2+]1 ZINC000625885910 531917679 /nfs/dbraw/zinc/91/76/79/531917679.db2.gz WKNLWYIAXRASTB-RYUDHWBXSA-N 1 0 398.305 1.943 20 0 GDADRO NS(=O)(=O)c1cccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000625860326 531917807 /nfs/dbraw/zinc/91/78/07/531917807.db2.gz XPNQUTMTPBPTGU-SKDRFNHKSA-N 1 0 380.392 1.325 20 0 GDADRO CC[C@@H](C(=O)NCc1nn(C)cc1I)[NH+](CC)CC ZINC000456504950 531917933 /nfs/dbraw/zinc/91/79/33/531917933.db2.gz KWFVDQQKJVQTCO-LBPRGKRZSA-N 1 0 378.258 1.761 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000678040453 531918190 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O=C(NCC[NH+]1CCC(O)CC1)c1c(O)cnc2c(Br)cccc21 ZINC000456576275 531923291 /nfs/dbraw/zinc/92/32/91/531923291.db2.gz AMGOAGQJLMBYOQ-UHFFFAOYSA-N 1 0 394.269 1.889 20 0 GDADRO C[C@@H](CC(=O)N1CCOC2(CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000649129106 531923484 /nfs/dbraw/zinc/92/34/84/531923484.db2.gz LTIVPSJPKRYXJP-ZDUSSCGKSA-N 1 0 385.306 1.920 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000270796597 531923773 /nfs/dbraw/zinc/92/37/73/531923773.db2.gz AVFBUYCKEGURFJ-ZDUSSCGKSA-N 1 0 384.274 1.949 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)C1 ZINC000419338774 531924923 /nfs/dbraw/zinc/92/49/23/531924923.db2.gz SWNNTUDGORXUJA-KRWDZBQOSA-N 1 0 380.901 1.806 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000626166301 531924982 /nfs/dbraw/zinc/92/49/82/531924982.db2.gz SEBLWUBWKVLXPA-ZDUSSCGKSA-N 1 0 376.425 1.812 20 0 GDADRO COC1(C(F)(F)F)CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000419327974 531925236 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NC(=O)c1cn(C2CC[NH+](CCOc3cccc(Br)c3)CC2)nn1 ZINC000625802544 531915294 /nfs/dbraw/zinc/91/52/94/531915294.db2.gz BFWDWJKZPBIEIK-UHFFFAOYSA-N 1 0 394.273 1.855 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419221454 531915437 /nfs/dbraw/zinc/91/54/37/531915437.db2.gz WCVWWFXNQFLSAX-AWEZNQCLSA-N 1 0 382.917 1.015 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797338 531915688 /nfs/dbraw/zinc/91/56/88/531915688.db2.gz UOPORMNIYJNGIM-OAHLLOKOSA-N 1 0 391.331 1.150 20 0 GDADRO Cn1cc(I)c(CNC(=O)c2ccc(C[NH+](C)C)nc2)n1 ZINC000456500491 531916446 /nfs/dbraw/zinc/91/64/46/531916446.db2.gz DDKGISSHEZTESL-UHFFFAOYSA-N 1 0 399.236 1.411 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419243010 531916441 /nfs/dbraw/zinc/91/64/41/531916441.db2.gz IHHFDXQLTDZWTR-SKDRFNHKSA-N 1 0 386.315 1.826 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419238658 531916818 /nfs/dbraw/zinc/91/68/18/531916818.db2.gz DIPDIXVLKCSXCU-WCQYABFASA-N 1 0 398.326 1.923 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419353669 531928738 /nfs/dbraw/zinc/92/87/38/531928738.db2.gz KBLLLXRJJONXFB-LBPRGKRZSA-N 1 0 398.301 1.661 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419365437 531930005 /nfs/dbraw/zinc/93/00/05/531930005.db2.gz UDEINVLHIYIUKZ-UHFFFAOYSA-N 1 0 390.311 1.739 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000681634892 531930211 /nfs/dbraw/zinc/93/02/11/531930211.db2.gz LECDWXNSRBWDDD-UHFFFAOYSA-N 1 0 399.333 1.919 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@@H]1CCC[NH2+]CC1 ZINC000368704207 531931217 /nfs/dbraw/zinc/93/12/17/531931217.db2.gz OFJPRPRGSRLCLQ-GFCCVEGCSA-N 1 0 382.258 1.433 20 0 GDADRO CCCN(C(=O)C(=O)NCCOc1ncc(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000419402709 531931560 /nfs/dbraw/zinc/93/15/60/531931560.db2.gz PCFYBUKVDVRBQV-GFCCVEGCSA-N 1 0 389.283 1.484 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1cc(Br)cnc1-n1cccn1 ZINC000626498028 531933246 /nfs/dbraw/zinc/93/32/46/531933246.db2.gz LJXUEUBLVBHEQZ-GFCCVEGCSA-N 1 0 395.261 1.218 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000419442716 531933463 /nfs/dbraw/zinc/93/34/63/531933463.db2.gz ONOZYLWHKHGCIQ-GWCFXTLKSA-N 1 0 384.274 1.188 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000419442284 531933588 /nfs/dbraw/zinc/93/35/88/531933588.db2.gz NVMHKPUWXAWLOL-GXFFZTMASA-N 1 0 384.274 1.188 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1Br ZINC000419445125 531933644 /nfs/dbraw/zinc/93/36/44/531933644.db2.gz RAHXCBVRPLUECM-WDEREUQCSA-N 1 0 384.274 1.283 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000419442724 531933800 /nfs/dbraw/zinc/93/38/00/531933800.db2.gz ONOZYLWHKHGCIQ-ZWNOBZJWSA-N 1 0 384.274 1.188 20 0 GDADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419479925 531934138 /nfs/dbraw/zinc/93/41/38/531934138.db2.gz PPOJSUUOVHZYND-XPTSAGLGSA-N 1 0 386.265 1.489 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000626867101 531939772 /nfs/dbraw/zinc/93/97/72/531939772.db2.gz MWBUVALOYZMFSF-UHFFFAOYSA-N 1 0 395.257 1.288 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419477518 531935209 /nfs/dbraw/zinc/93/52/09/531935209.db2.gz LDBUJLHHGURBSS-LLVKDONJSA-N 1 0 398.276 1.671 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419465741 531935316 /nfs/dbraw/zinc/93/53/16/531935316.db2.gz UKZQQNNCQVWPNE-GFCCVEGCSA-N 1 0 382.302 1.711 20 0 GDADRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000298894415 531936725 /nfs/dbraw/zinc/93/67/25/531936725.db2.gz LQTXZDWLALBSCB-JPQMIFPKSA-N 1 0 385.555 1.753 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(Br)s2)CC[N@@H+]1C ZINC000570304523 531936842 /nfs/dbraw/zinc/93/68/42/531936842.db2.gz FDJBDIJPTGUCKK-WDEREUQCSA-N 1 0 388.331 1.768 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000419569586 531937016 /nfs/dbraw/zinc/93/70/16/531937016.db2.gz MDFOKJQCFPZVJR-ZDUSSCGKSA-N 1 0 390.315 1.748 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)[C@H](C)C[NH2+]1 ZINC000419590880 531938397 /nfs/dbraw/zinc/93/83/97/531938397.db2.gz SNIINKSFGMRZAA-UEKVPHQBSA-N 1 0 380.286 1.761 20 0 GDADRO CCc1nc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)sc1C ZINC000626860514 531938530 /nfs/dbraw/zinc/93/85/30/531938530.db2.gz GDOWUQORSNWZKW-UWVGGRQHSA-N 1 0 378.420 1.938 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000270908932 531939724 /nfs/dbraw/zinc/93/97/24/531939724.db2.gz GVSJQCGTGGURLS-CYBMUJFWSA-N 1 0 398.301 1.862 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000419584992 531938798 /nfs/dbraw/zinc/93/87/98/531938798.db2.gz JNVZQFBWTSYIRW-ZETOZRRWSA-N 1 0 380.286 1.796 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)Oc1ccccc1Br ZINC000419604596 531939337 /nfs/dbraw/zinc/93/93/37/531939337.db2.gz COSFVZOBGYZYKB-OLZOCXBDSA-N 1 0 398.301 1.591 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419351523 531927111 /nfs/dbraw/zinc/92/71/11/531927111.db2.gz HIAKQQKBASSRMQ-INIZCTEOSA-N 1 0 384.274 1.271 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000419348846 531927285 /nfs/dbraw/zinc/92/72/85/531927285.db2.gz BZYYHAWRPBXOTP-QWRGUYRKSA-N 1 0 384.274 1.283 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)Oc1ccccc1Br ZINC000419613416 531941150 /nfs/dbraw/zinc/94/11/50/531941150.db2.gz NMBSXAANEHGJIC-BZPMIXESSA-N 1 0 398.301 1.528 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000419609707 531941156 /nfs/dbraw/zinc/94/11/56/531941156.db2.gz JJXAKFQRYPBRIV-AAEUAGOBSA-N 1 0 384.274 1.201 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000419610837 531941371 /nfs/dbraw/zinc/94/13/71/531941371.db2.gz KGMTZVUVZMJHHI-VXGBXAGGSA-N 1 0 386.290 1.447 20 0 GDADRO O=C(CSc1nncs1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270913377 531941457 /nfs/dbraw/zinc/94/14/57/531941457.db2.gz SOIRULRBABXQJU-HUUCEWRRSA-N 1 0 378.523 1.629 20 0 GDADRO C[C@]1(NC(=O)NCCOc2ccc(I)cc2)CC[NH2+]C1 ZINC000597436308 531942774 /nfs/dbraw/zinc/94/27/74/531942774.db2.gz ZWORNBFZXAXJFU-AWEZNQCLSA-N 1 0 389.237 1.721 20 0 GDADRO COCC[NH2+]C1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000570851101 531942732 /nfs/dbraw/zinc/94/27/32/531942732.db2.gz CBGXIMQUFVBCOC-UHFFFAOYSA-N 1 0 395.301 1.657 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000419620277 531943000 /nfs/dbraw/zinc/94/30/00/531943000.db2.gz QJXLJQJDRJMAGK-LBPRGKRZSA-N 1 0 384.274 1.155 20 0 GDADRO Cn1ncc(I)c1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457051285 531943092 /nfs/dbraw/zinc/94/30/92/531943092.db2.gz HOVLUMRLKZYBMG-UHFFFAOYSA-N 1 0 376.242 1.629 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)Oc1cccc(Br)c1 ZINC000419622437 531944108 /nfs/dbraw/zinc/94/41/08/531944108.db2.gz SXJSTEUVLZXLKM-FRRDWIJNSA-N 1 0 398.301 1.541 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)Oc1ccc(Br)cc1 ZINC000419627930 531945192 /nfs/dbraw/zinc/94/51/92/531945192.db2.gz YNCYNOOUJCMDGD-YGRLFVJLSA-N 1 0 384.274 1.186 20 0 GDADRO CC(C)(O)C[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C1CCOCC1 ZINC000570971094 531945833 /nfs/dbraw/zinc/94/58/33/531945833.db2.gz YFMPZAVJNWJJTN-UHFFFAOYSA-N 1 0 376.906 1.739 20 0 GDADRO C[NH2+]CCOCCNC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000627172935 531946185 /nfs/dbraw/zinc/94/61/85/531946185.db2.gz JPOHDMSPNLGLCY-LSDHHAIUSA-N 1 0 376.284 1.829 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000652379837 531946419 /nfs/dbraw/zinc/94/64/19/531946419.db2.gz PCLKMBQQBDMTQL-TZMCWYRMSA-N 1 0 377.304 1.575 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1CC[NH3+] ZINC000652378280 531946665 /nfs/dbraw/zinc/94/66/65/531946665.db2.gz DECAFYJNNIRPIL-CJNGLKHVSA-N 1 0 389.543 1.075 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)NCCCC[NH3+] ZINC000419632191 531946914 /nfs/dbraw/zinc/94/69/14/531946914.db2.gz OZUFFANKINDFAE-FZMZJTMJSA-N 1 0 386.290 1.496 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000457130455 531947823 /nfs/dbraw/zinc/94/78/23/531947823.db2.gz OEVQPTGFEYZRRO-AWEZNQCLSA-N 1 0 384.571 1.891 20 0 GDADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419648095 531948168 /nfs/dbraw/zinc/94/81/68/531948168.db2.gz LAXDOHSDTZBXGX-CHIMOYNISA-N 1 0 398.326 1.908 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCc1ccc(C[NH3+])cc1F ZINC000652381452 531948371 /nfs/dbraw/zinc/94/83/71/531948371.db2.gz GRQNZIRKSDBRIV-UHFFFAOYSA-N 1 0 386.470 1.475 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000419654359 531948451 /nfs/dbraw/zinc/94/84/51/531948451.db2.gz WYODTOYCXGZYSV-NXEZZACHSA-N 1 0 378.420 1.454 20 0 GDADRO COc1ccc(Br)cc1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000571074005 531949490 /nfs/dbraw/zinc/94/94/90/531949490.db2.gz SUHXHBLTKWTZEK-ZDUSSCGKSA-N 1 0 398.301 1.917 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627311508 531949504 /nfs/dbraw/zinc/94/95/04/531949504.db2.gz ADAQEXQKIZBONN-SLEUVZQESA-N 1 0 382.302 1.753 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000419658576 531949894 /nfs/dbraw/zinc/94/98/94/531949894.db2.gz YKVCREKMOKGJPY-TVQRCGJNSA-N 1 0 386.315 1.684 20 0 GDADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1c(I)cnn1C ZINC000597605665 531950307 /nfs/dbraw/zinc/95/03/07/531950307.db2.gz RCPRRWVCLZVBPK-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)CSCc1ccc(Br)cc1F ZINC000597652710 531951863 /nfs/dbraw/zinc/95/18/63/531951863.db2.gz FLZYNEJBZVRTFC-LBPRGKRZSA-N 1 0 379.295 1.860 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000627389676 531950636 /nfs/dbraw/zinc/95/06/36/531950636.db2.gz MFLRVIYSKWLVEG-DGCLKSJQSA-N 1 0 377.794 1.942 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419669896 531950820 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C[C@H](NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccc(Br)s1 ZINC000419717381 531960884 /nfs/dbraw/zinc/96/08/84/531960884.db2.gz UXUMKNFWRSIDJN-AXFHLTTASA-N 1 0 386.315 1.756 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(Br)s1 ZINC000419717393 531961122 /nfs/dbraw/zinc/96/11/22/531961122.db2.gz UXUMKNFWRSIDJN-OUAUKWLOSA-N 1 0 386.315 1.756 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1Br ZINC000654074223 531961487 /nfs/dbraw/zinc/96/14/87/531961487.db2.gz NRJFATMVMCTNDN-KBPBESRZSA-N 1 0 385.302 1.677 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cc(Br)cs1 ZINC000419725247 531962397 /nfs/dbraw/zinc/96/23/97/531962397.db2.gz RLOAOORBYCSBGT-GZMMTYOYSA-N 1 0 390.303 1.356 20 0 GDADRO [NH3+]CC1(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CCOCC1 ZINC000284484080 531962894 /nfs/dbraw/zinc/96/28/94/531962894.db2.gz FVDSWGFMLGBFPS-LLVKDONJSA-N 1 0 377.268 1.605 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3COc4c3ccc(Cl)c4Cl)C[C@H]12 ZINC000419729990 531963726 /nfs/dbraw/zinc/96/37/26/531963726.db2.gz PHQBSUJRSKTHPV-MWKLQFHZSA-N 1 0 384.263 1.739 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CCOCC1 ZINC000627452782 531953163 /nfs/dbraw/zinc/95/31/63/531953163.db2.gz UINQSWKIBSVCAP-UHFFFAOYSA-N 1 0 386.279 1.502 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419681075 531953272 /nfs/dbraw/zinc/95/32/72/531953272.db2.gz TUKJDKUNKMGCGL-MEBBXXQBSA-N 1 0 393.285 1.661 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000571432752 531953492 /nfs/dbraw/zinc/95/34/92/531953492.db2.gz RSNBZBBFQLODRY-KOLCDFICSA-N 1 0 389.315 1.970 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000419734550 531964039 /nfs/dbraw/zinc/96/40/39/531964039.db2.gz VCGPUFYXRAJXHF-JOYOIKCWSA-N 1 0 388.251 1.038 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)CC[C@H]1[NH3+] ZINC000419679980 531953922 /nfs/dbraw/zinc/95/39/22/531953922.db2.gz REBBDISHUVGGLG-QMTHXVAHSA-N 1 0 393.285 1.742 20 0 GDADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627470351 531954133 /nfs/dbraw/zinc/95/41/33/531954133.db2.gz POMOVZRSFMSCHK-OAHLLOKOSA-N 1 0 398.301 1.291 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)CC[NH2+]1 ZINC000419681372 531954601 /nfs/dbraw/zinc/95/46/01/531954601.db2.gz UHHPYTADEDERMV-ZWNOBZJWSA-N 1 0 393.285 1.803 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000571763392 531955280 /nfs/dbraw/zinc/95/52/80/531955280.db2.gz BSCQGPIECQUHMP-FZMZJTMJSA-N 1 0 388.237 1.237 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000571998823 531956650 /nfs/dbraw/zinc/95/66/50/531956650.db2.gz YOOQLMPFKCDOFN-AWEZNQCLSA-N 1 0 378.885 1.948 20 0 GDADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419754638 531965595 /nfs/dbraw/zinc/96/55/95/531965595.db2.gz PEIRABDZMHDTDG-ZIAGYGMSSA-N 1 0 388.295 1.535 20 0 GDADRO O=C(N[C@H](CC1CC1)c1cc(F)cc(Br)c1)C(=O)N1CC[NH2+]CC1 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NRCDQHYTRAWJIR-WBMJQRKESA-N 1 0 384.318 1.986 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000299240432 531970736 /nfs/dbraw/zinc/97/07/36/531970736.db2.gz ULZACURRGUKDHU-GFCCVEGCSA-N 1 0 379.404 1.351 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000271138368 531971344 /nfs/dbraw/zinc/97/13/44/531971344.db2.gz XINFWYATFUSIRN-QWHCGFSZSA-N 1 0 392.930 1.793 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000271135664 531971402 /nfs/dbraw/zinc/97/14/02/531971402.db2.gz QYXBWROMMYBSIH-STQMWFEESA-N 1 0 391.295 1.818 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000299249997 531972428 /nfs/dbraw/zinc/97/24/28/531972428.db2.gz YNBXVESLKPBSDW-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Br)cc2)C1 ZINC000419807428 531972925 /nfs/dbraw/zinc/97/29/25/531972925.db2.gz FTZGINVVQRXTRD-UKRRQHHQSA-N 1 0 396.329 1.954 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419825992 531973241 /nfs/dbraw/zinc/97/32/41/531973241.db2.gz RTMULTPBRSRIMH-GFCCVEGCSA-N 1 0 384.318 1.957 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000271161294 531973333 /nfs/dbraw/zinc/97/33/33/531973333.db2.gz ZINQALHHVUZZAH-GFCCVEGCSA-N 1 0 389.905 1.166 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419824238 531973502 /nfs/dbraw/zinc/97/35/02/531973502.db2.gz PIDSVPABBWHHPN-UMVBOHGHSA-N 1 0 396.329 1.940 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419815226 531974217 /nfs/dbraw/zinc/97/42/17/531974217.db2.gz JMPKOGCLPUJUAW-OSAQELSMSA-N 1 0 382.302 1.740 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cccs1 ZINC000655736944 531974768 /nfs/dbraw/zinc/97/47/68/531974768.db2.gz IRCBQXVZDMGNEB-CVEARBPZSA-N 1 0 388.555 1.116 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cccs1 ZINC000655736946 531974866 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C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419855834 531979494 /nfs/dbraw/zinc/97/94/94/531979494.db2.gz RMILENXIJUGVIX-LBPRGKRZSA-N 1 0 394.313 1.981 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)C1CC1 ZINC000419863174 531979812 /nfs/dbraw/zinc/97/98/12/531979812.db2.gz NMQPCUNNMNJWBL-HUUCEWRRSA-N 1 0 396.285 1.203 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000419879101 531980387 /nfs/dbraw/zinc/98/03/87/531980387.db2.gz SLFTWJZIHOLJND-WFASDCNBSA-N 1 0 398.301 1.463 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCc2cccc(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000419886167 531980596 /nfs/dbraw/zinc/98/05/96/531980596.db2.gz KNQMHNLUDTUQNU-TZMCWYRMSA-N 1 0 394.313 1.838 20 0 GDADRO CC1(c2cccc(Br)c2)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419884477 531980843 /nfs/dbraw/zinc/98/08/43/531980843.db2.gz NUUJCQPHXPIVCI-OAHLLOKOSA-N 1 0 394.313 1.807 20 0 GDADRO OCCOC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCOCC1 ZINC000573370520 531981735 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C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000420045502 531999580 /nfs/dbraw/zinc/99/95/80/531999580.db2.gz UTMZHDQCFVIWLN-BXUZGUMPSA-N 1 0 398.301 1.637 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420049849 531999796 /nfs/dbraw/zinc/99/97/96/531999796.db2.gz YMNAOSSZDSFLNO-HNNXBMFYSA-N 1 0 388.295 1.558 20 0 GDADRO CCOC(=O)c1[nH]c(C)c(C[NH2+]CCS(=O)(=O)N2CCSCC2)c1C ZINC000598959790 532001862 /nfs/dbraw/zinc/00/18/62/532001862.db2.gz FJZPQOFWZRUJJC-UHFFFAOYSA-N 1 0 389.543 1.276 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458949919 532002510 /nfs/dbraw/zinc/00/25/10/532002510.db2.gz CQZRQHBWCNWIGJ-CQSZACIVSA-N 1 0 376.548 1.149 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420113442 532002599 /nfs/dbraw/zinc/00/25/99/532002599.db2.gz IMMUVBANQKSGRJ-IUODEOHRSA-N 1 0 382.302 1.912 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000420126778 532004281 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GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCc2cc(F)cc(Br)c2C1 ZINC000631958099 532009281 /nfs/dbraw/zinc/00/92/81/532009281.db2.gz JMORWMITMMRANG-GFCCVEGCSA-N 1 0 393.278 1.265 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@]2(OCCO)CCOC2)cc1OC ZINC000657597168 532011982 /nfs/dbraw/zinc/01/19/82/532011982.db2.gz MVTOFSBIIUQJHR-MRXNPFEDSA-N 1 0 390.274 1.724 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c1OC ZINC000420444324 532012077 /nfs/dbraw/zinc/01/20/77/532012077.db2.gz CIYJSJHAGJMHDA-GFCCVEGCSA-N 1 0 377.894 1.360 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](C)N2CCc3sccc3C2)on1 ZINC000599214223 532012488 /nfs/dbraw/zinc/01/24/88/532012488.db2.gz WLQLTUOQKNRGPP-SNVBAGLBSA-N 1 0 385.467 1.248 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1OC ZINC000420443647 532012537 /nfs/dbraw/zinc/01/25/37/532012537.db2.gz AXCGJMSQBBERGW-GXFFZTMASA-N 1 0 387.889 1.081 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1C(F)(F)F ZINC000420451952 532015520 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C[NH+]1CCC(NC(=O)C(=O)NCCc2cc(Br)ccc2F)CC1 ZINC000285090928 532029988 /nfs/dbraw/zinc/02/99/88/532029988.db2.gz WXYIWVMSJZGMDP-UHFFFAOYSA-N 1 0 386.265 1.457 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000459850207 532031161 /nfs/dbraw/zinc/03/11/61/532031161.db2.gz ROCZOYYQRSMWPP-SFHVURJKSA-N 1 0 394.313 1.962 20 0 GDADRO CO[C@H](CC(C)C)CS(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000420665013 532035692 /nfs/dbraw/zinc/03/56/92/532035692.db2.gz ARVRCMRHWJMOSH-KSZLIROESA-N 1 0 375.579 1.335 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000632488529 532033323 /nfs/dbraw/zinc/03/33/23/532033323.db2.gz AMNUYAUYUMLPEC-UHFFFAOYSA-N 1 0 381.267 1.969 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CC1 ZINC000632488321 532033385 /nfs/dbraw/zinc/03/33/85/532033385.db2.gz RGVLOLMHHJZWCR-UHFFFAOYSA-N 1 0 379.404 1.351 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000271660351 532037037 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CC[C@@H](CNS(C)(=O)=O)[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000600737216 532053691 /nfs/dbraw/zinc/05/36/91/532053691.db2.gz CLEIKOKTNKIQQT-UUCFBXCCSA-N 1 0 378.535 1.167 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000311734246 532054927 /nfs/dbraw/zinc/05/49/27/532054927.db2.gz WQVWTXWSWLEJRR-ZDUSSCGKSA-N 1 0 392.262 1.665 20 0 GDADRO CN(CC[NH2+][C@@H]1CCCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000634979679 532057466 /nfs/dbraw/zinc/05/74/66/532057466.db2.gz LNUHLMFANSBMHU-CQSZACIVSA-N 1 0 378.491 1.003 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)Nc1cscc1Cl ZINC000634971756 532058184 /nfs/dbraw/zinc/05/81/84/532058184.db2.gz DMHFBTVZGUVAMF-SNVBAGLBSA-N 1 0 384.811 1.292 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601293721 532058836 /nfs/dbraw/zinc/05/88/36/532058836.db2.gz BVFCFTTUNDALPO-LBPRGKRZSA-N 1 0 389.290 1.947 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000316534070 532062354 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1.950 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)NCCCC[NH+]2CCOCC2)s1 ZINC000468418618 532066348 /nfs/dbraw/zinc/06/63/48/532066348.db2.gz KIBPOFSEENSDSR-UHFFFAOYSA-N 1 0 375.516 1.063 20 0 GDADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422882788 532069107 /nfs/dbraw/zinc/06/91/07/532069107.db2.gz TZAHLUGSXPWHHK-GJZGRUSLSA-N 1 0 398.301 1.452 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000579772834 532068542 /nfs/dbraw/zinc/06/85/42/532068542.db2.gz ALRQWKVRVDSPST-MRXNPFEDSA-N 1 0 380.242 1.499 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C[C@@H]1[NH3+] ZINC000423081531 532070610 /nfs/dbraw/zinc/07/06/10/532070610.db2.gz VEVMGJAEOHRRNK-NHYWBVRUSA-N 1 0 380.286 1.746 20 0 GDADRO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000373245872 532071513 /nfs/dbraw/zinc/07/15/13/532071513.db2.gz SMTLQCAZBZDIHV-APHBMKBZSA-N 1 0 376.906 1.531 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000423110589 532072857 /nfs/dbraw/zinc/07/28/57/532072857.db2.gz PEVLJPAVGDUKLR-IUODEOHRSA-N 1 0 380.286 1.933 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423224007 532073851 /nfs/dbraw/zinc/07/38/51/532073851.db2.gz BFYMSZMRPFWIKD-ZDUSSCGKSA-N 1 0 386.265 1.757 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000423463744 532076006 /nfs/dbraw/zinc/07/60/06/532076006.db2.gz LNLCDFRSJWIYOJ-NSHDSACASA-N 1 0 376.284 1.897 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000423507189 532076611 /nfs/dbraw/zinc/07/66/11/532076611.db2.gz JJLQYBXKEWNNDP-CQSZACIVSA-N 1 0 386.265 1.930 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2cccc(Br)c2)CC2CC2)C[C@H]1[NH3+] ZINC000423509050 532076883 /nfs/dbraw/zinc/07/68/83/532076883.db2.gz LFFDOBJDJJAFOB-MLGOLLRUSA-N 1 0 394.313 1.993 20 0 GDADRO C[S@@](=O)C1(C(=O)NCCOc2ncccc2C(F)(F)F)CC[NH2+]CC1 ZINC000602519026 532078590 /nfs/dbraw/zinc/07/85/90/532078590.db2.gz DLRRZUDCEBDXDC-RUZDIDTESA-N 1 0 379.404 1.096 20 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/nfs/dbraw/zinc/09/48/85/532094885.db2.gz GPYWMYJQEBUUMQ-BXUZGUMPSA-N 1 0 381.420 1.248 20 0 GDADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285576550 532095487 /nfs/dbraw/zinc/09/54/87/532095487.db2.gz OCYSPTGOBSTIEN-IINYFYTJSA-N 1 0 392.283 1.867 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000424483674 532096358 /nfs/dbraw/zinc/09/63/58/532096358.db2.gz YOAAGIGZAJBQNX-LEWSCRJBSA-N 1 0 384.274 1.694 20 0 GDADRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000285644360 532101854 /nfs/dbraw/zinc/10/18/54/532101854.db2.gz OPDLMGBEZHNTSA-LSDHHAIUSA-N 1 0 391.331 1.838 20 0 GDADRO C[C@@H]1CN(C(=O)CCNC(=O)c2cc(F)ccc2Br)[C@@H](C)C[NH2+]1 ZINC000272502685 532102633 /nfs/dbraw/zinc/10/26/33/532102633.db2.gz DWZKTHUFCIRJNY-MNOVXSKESA-N 1 0 386.265 1.917 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)s2)CC1 ZINC000272507984 532102730 /nfs/dbraw/zinc/10/27/30/532102730.db2.gz FSURRKNRVOFWSW-UONOGXRCSA-N 1 0 385.555 1.991 20 0 GDADRO CN(CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000272542695 532103786 /nfs/dbraw/zinc/10/37/86/532103786.db2.gz CFOIBHMUQKBTSU-BBRMVZONSA-N 1 0 385.917 1.513 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)C2)s1 ZINC000272550267 532105162 /nfs/dbraw/zinc/10/51/62/532105162.db2.gz KPTNTSNVTVHLFM-YDHLFZDLSA-N 1 0 385.555 1.666 20 0 GDADRO COc1ncc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1Br ZINC000424736520 532106500 /nfs/dbraw/zinc/10/65/00/532106500.db2.gz WSXJMPMMFZHRDO-UHFFFAOYSA-N 1 0 386.290 1.818 20 0 GDADRO CC(C)[C@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC[N@@H+]1C ZINC000330162732 532116491 /nfs/dbraw/zinc/11/64/91/532116491.db2.gz AJOAUPGAYQGNJA-HUUCEWRRSA-N 1 0 385.555 1.700 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H](c1cccc(F)c1)N(C)C ZINC000272835537 532117557 /nfs/dbraw/zinc/11/75/57/532117557.db2.gz IQPZDNOUBFKWDP-LBPRGKRZSA-N 1 0 387.458 1.650 20 0 GDADRO CC(=O)N(C)CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425096248 532117788 /nfs/dbraw/zinc/11/77/88/532117788.db2.gz DUNWUKQBPYDBDI-UHFFFAOYSA-N 1 0 385.306 1.864 20 0 GDADRO Cc1nc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)sc1S(N)(=O)=O ZINC000374540730 532127093 /nfs/dbraw/zinc/12/70/93/532127093.db2.gz YIGDWKCDYPQSKU-OAHLLOKOSA-N 1 0 380.539 2.075 20 0 GDADRO Cc1nc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)sc1S(N)(=O)=O ZINC000374540726 532127509 /nfs/dbraw/zinc/12/75/09/532127509.db2.gz YIGDWKCDYPQSKU-HNNXBMFYSA-N 1 0 380.539 2.075 20 0 GDADRO O=C(NC[C@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000273058529 532131122 /nfs/dbraw/zinc/13/11/22/532131122.db2.gz SJFTULRFNQLRLD-ZDUSSCGKSA-N 1 0 379.507 1.566 20 0 GDADRO CCn1cc(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000425305898 532135157 /nfs/dbraw/zinc/13/51/57/532135157.db2.gz IRDKQWDGFVMIFT-AWEZNQCLSA-N 1 0 397.317 1.695 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)[C@H](N2CCOCC2)C1 ZINC000273137755 532136494 /nfs/dbraw/zinc/13/64/94/532136494.db2.gz DHKLSMBWEXAVIH-DQVOVIAYSA-N 1 0 384.929 1.673 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000273205542 532140149 /nfs/dbraw/zinc/14/01/49/532140149.db2.gz FXFULYSBJIDNOO-ZIAGYGMSSA-N 1 0 376.906 1.389 20 0 GDADRO Cc1sc2ncn(CC(=O)NC[C@]3([NH+](C)C)CCSC3)c(=O)c2c1C ZINC000331561128 532150628 /nfs/dbraw/zinc/15/06/28/532150628.db2.gz FWNPFMIBLXUZDC-QGZVFWFLSA-N 1 0 380.539 1.628 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000331599509 532151908 /nfs/dbraw/zinc/15/19/08/532151908.db2.gz HLGVMTMYZVGXGV-QWRGUYRKSA-N 1 0 394.950 1.543 20 0 GDADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000273517760 532154210 /nfs/dbraw/zinc/15/42/10/532154210.db2.gz RHWIHYSKGSBGGV-UHFFFAOYSA-N 1 0 377.894 1.070 20 0 GDADRO CS(=O)(=O)CCCNc1cc(C2CC2)[nH+]c(NCCCS(C)(=O)=O)n1 ZINC000286504494 532155162 /nfs/dbraw/zinc/15/51/62/532155162.db2.gz WFODOYNWKFHTJL-UHFFFAOYSA-N 1 0 390.531 1.047 20 0 GDADRO CNS(=O)(=O)[C@H]1CCCN(C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000374921146 532142210 /nfs/dbraw/zinc/14/22/10/532142210.db2.gz SIKNLJSGUPYXRB-KBPBESRZSA-N 1 0 376.906 1.402 20 0 GDADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000331283010 532142282 /nfs/dbraw/zinc/14/22/82/532142282.db2.gz JUNWNQOXFVOLFK-AWEZNQCLSA-N 1 0 379.320 1.657 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000331495176 532146195 /nfs/dbraw/zinc/14/61/95/532146195.db2.gz DHOKGRBTHJCJHT-GHMZBOCLSA-N 1 0 386.315 1.537 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000331495181 532146428 /nfs/dbraw/zinc/14/64/28/532146428.db2.gz DHOKGRBTHJCJHT-WDEREUQCSA-N 1 0 386.315 1.537 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(CS(N)(=O)=O)CC2)c1 ZINC000273369163 532146509 /nfs/dbraw/zinc/14/65/09/532146509.db2.gz XIGYCPGJBGCJSH-CQSZACIVSA-N 1 0 376.906 1.389 20 0 GDADRO CS[C@H]1CN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)C[C@H]1[NH+](C)C ZINC000331516906 532147612 /nfs/dbraw/zinc/14/76/12/532147612.db2.gz RYNNUJVVHQMNAG-CJNGLKHVSA-N 1 0 381.567 1.861 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)F)C1 ZINC000425737481 532148018 /nfs/dbraw/zinc/14/80/18/532148018.db2.gz CRCKPSFWUSNLGX-HNNXBMFYSA-N 1 0 377.775 1.063 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c(Br)cc1F ZINC000286648066 532167175 /nfs/dbraw/zinc/16/71/75/532167175.db2.gz JKONCIDJIJTNBV-QMMMGPOBSA-N 1 0 397.266 1.603 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000332157018 532167490 /nfs/dbraw/zinc/16/74/90/532167490.db2.gz XPNMIHNJHFAKKV-KBPBESRZSA-N 1 0 385.917 1.561 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000273565464 532157136 /nfs/dbraw/zinc/15/71/36/532157136.db2.gz YEPVJOLBFOPCNJ-IRXDYDNUSA-N 1 0 382.551 1.883 20 0 GDADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000426051876 532160506 /nfs/dbraw/zinc/16/05/06/532160506.db2.gz QTDVECUJRCMXCW-CABCVRRESA-N 1 0 380.576 1.525 20 0 GDADRO CC(=O)N1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000332038943 532161137 /nfs/dbraw/zinc/16/11/37/532161137.db2.gz TYLLLGBTGNALFN-HNNXBMFYSA-N 1 0 389.265 1.882 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000332063687 532161318 /nfs/dbraw/zinc/16/13/18/532161318.db2.gz RNEDBLIZBKPVBW-TVQRCGJNSA-N 1 0 384.249 1.734 20 0 GDADRO C[N@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000375352730 532161285 /nfs/dbraw/zinc/16/12/85/532161285.db2.gz LTXDUXGROQQSSI-GOEBONIOSA-N 1 0 385.302 1.898 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000426182973 532164160 /nfs/dbraw/zinc/16/41/60/532164160.db2.gz LOEDPXCJBTZOKL-GFCCVEGCSA-N 1 0 382.404 1.978 20 0 GDADRO CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000273677164 532164215 /nfs/dbraw/zinc/16/42/15/532164215.db2.gz FIBXVDVIVAVJSY-HOTGVXAUSA-N 1 0 385.555 1.031 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC[C@H]1[NH3+] ZINC000332288588 532178326 /nfs/dbraw/zinc/17/83/26/532178326.db2.gz SOGFGPRHROIXRG-TVQRCGJNSA-N 1 0 384.249 1.673 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2=CC[N@H+](C)CC2)cc1Cl ZINC000273983372 532179476 /nfs/dbraw/zinc/17/94/76/532179476.db2.gz QSGANJKLPNOENA-UHFFFAOYSA-N 1 0 375.853 1.978 20 0 GDADRO C[C@@H]1C[NH+](C[C@@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)C[C@@H](C)O1 ZINC000332339342 532181383 /nfs/dbraw/zinc/18/13/83/532181383.db2.gz OPHAVQLWAIUQIS-LALPHHSUSA-N 1 0 396.289 1.573 20 0 GDADRO COc1c(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c(C)nn1C ZINC000375741589 532182229 /nfs/dbraw/zinc/18/22/29/532182229.db2.gz FETJJPSYDQYOAL-ZDUSSCGKSA-N 1 0 384.527 1.599 20 0 GDADRO O=C(Nc1cccc(I)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332372997 532182824 /nfs/dbraw/zinc/18/28/24/532182824.db2.gz ZFWZCNDVNFZAPH-MNOVXSKESA-N 1 0 399.232 1.298 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2c(F)cccc2I)CCCO1 ZINC000332215853 532171152 /nfs/dbraw/zinc/17/11/52/532171152.db2.gz ILEDRAAIZFHDPQ-VIFPVBQESA-N 1 0 378.185 1.620 20 0 GDADRO CNS(=O)(=O)CCC[N@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000426793208 532171235 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C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000332480445 532188816 /nfs/dbraw/zinc/18/88/16/532188816.db2.gz MIONJSLWNJERRU-WDEREUQCSA-N 1 0 398.276 1.730 20 0 GDADRO COC(=O)CC[N@@H+](CC(OC)OC)C[C@@H](O)c1ccccc1Br ZINC000274353683 532205220 /nfs/dbraw/zinc/20/52/20/532205220.db2.gz XLRYMPPCGXEXPA-CQSZACIVSA-N 1 0 390.274 1.967 20 0 GDADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H](C)C[NH2+]1 ZINC000332690135 532205777 /nfs/dbraw/zinc/20/57/77/532205777.db2.gz QPWBPAFXKFSKPN-XUJVJEKNSA-N 1 0 395.301 1.946 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000274391707 532207647 /nfs/dbraw/zinc/20/76/47/532207647.db2.gz CDOOJQGRRPUQJQ-UHFFFAOYSA-N 1 0 379.791 1.310 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000332775721 532209299 /nfs/dbraw/zinc/20/92/99/532209299.db2.gz KNWONRBKFQBPMV-LSDHHAIUSA-N 1 0 385.555 1.749 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000287337678 532209611 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GDADRO C[C@H](NC(=O)CCC(=O)NCC(C)(C)[NH3+])C(=O)c1ccc(Br)cc1 ZINC000429654929 532232074 /nfs/dbraw/zinc/23/20/74/532232074.db2.gz VIYGBAGURAMNQE-NSHDSACASA-N 1 0 398.301 1.770 20 0 GDADRO CC1CC[NH+](C2CCC(NS(=O)(=O)C3CCS(=O)(=O)CC3)CC2)CC1 ZINC000333381930 532232316 /nfs/dbraw/zinc/23/23/16/532232316.db2.gz XQRPKGXOIQSQDA-UHFFFAOYSA-N 1 0 392.587 1.526 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333393536 532232974 /nfs/dbraw/zinc/23/29/74/532232974.db2.gz XVHMHTCVIQFKOP-NEPJUHHUSA-N 1 0 398.305 1.882 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[NH+]3CCC2CC3)c(C)s1 ZINC000376918993 532234118 /nfs/dbraw/zinc/23/41/18/532234118.db2.gz PUMWEGKMMDAMMJ-UHFFFAOYSA-N 1 0 386.543 1.133 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000287694185 532234147 /nfs/dbraw/zinc/23/41/47/532234147.db2.gz RGCOGTRTASMLMY-CQSZACIVSA-N 1 0 387.596 1.603 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)C[C@@H]1[NH+]1CCCC1 ZINC000333171290 532223862 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COCC[N@@H+]1CCCN(C(=O)c2cc(Br)c(C)nc2OC)CC1 ZINC000274959119 532247124 /nfs/dbraw/zinc/24/71/24/532247124.db2.gz FHLFFUNYVZCFTK-UHFFFAOYSA-N 1 0 386.290 1.955 20 0 GDADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000287880477 532247302 /nfs/dbraw/zinc/24/73/02/532247302.db2.gz ZZLRSEPUPAAPMM-VHSXEESVSA-N 1 0 378.420 1.719 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000287873066 532247695 /nfs/dbraw/zinc/24/76/95/532247695.db2.gz MQQGRCOBENXTJZ-JTQLQIEISA-N 1 0 378.420 1.769 20 0 GDADRO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000430376978 532249294 /nfs/dbraw/zinc/24/92/94/532249294.db2.gz HTPAYOBMPWWHKC-CQSZACIVSA-N 1 0 389.905 1.261 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000333797454 532250566 /nfs/dbraw/zinc/25/05/66/532250566.db2.gz HFNUMDJBWNPADT-BYCMXARLSA-N 1 0 395.301 1.772 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000287924958 532251084 /nfs/dbraw/zinc/25/10/84/532251084.db2.gz WDMOMLQADQSSCH-KBPBESRZSA-N 1 0 386.543 1.295 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430545386 532251765 /nfs/dbraw/zinc/25/17/65/532251765.db2.gz QBZCACJBWSMSGB-OLZOCXBDSA-N 1 0 397.317 1.563 20 0 GDADRO [NH3+]CC1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000333846571 532252450 /nfs/dbraw/zinc/25/24/50/532252450.db2.gz WIRHPNMAFINQII-CQSZACIVSA-N 1 0 386.543 1.282 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)nc12 ZINC000333859422 532252602 /nfs/dbraw/zinc/25/26/02/532252602.db2.gz YZVXYMKOMXMFHW-DOMZBBRYSA-N 1 0 392.301 1.951 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCC[C@@H]([NH3+])C1 ZINC000430612739 532253642 /nfs/dbraw/zinc/25/36/42/532253642.db2.gz TXJHILZXKIMRFG-NWDGAFQWSA-N 1 0 388.921 1.340 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000274836893 532236430 /nfs/dbraw/zinc/23/64/30/532236430.db2.gz VWOCMVVXSMLVHK-LBPRGKRZSA-N 1 0 389.905 1.170 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)[N@H+](C)C1CC1 ZINC000287728651 532237338 /nfs/dbraw/zinc/23/73/38/532237338.db2.gz GEXRBZSHDFHSKP-IUCAKERBSA-N 1 0 378.420 1.938 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)C1 ZINC000333468822 532237520 /nfs/dbraw/zinc/23/75/20/532237520.db2.gz AOGMBPPLDXZOHA-XUJVJEKNSA-N 1 0 395.301 1.759 20 0 GDADRO Cn1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc(Br)c1=O ZINC000377010073 532237899 /nfs/dbraw/zinc/23/78/99/532237899.db2.gz PJTBOKSIBKZMSF-KANYHAFZSA-N 1 0 384.274 1.619 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Br ZINC000333491100 532238028 /nfs/dbraw/zinc/23/80/28/532238028.db2.gz DHXYNNLXTAVFBK-YGRLFVJLSA-N 1 0 388.287 1.390 20 0 GDADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000430641601 532254254 /nfs/dbraw/zinc/25/42/54/532254254.db2.gz MJFWRJBFWMXSIO-GFCCVEGCSA-N 1 0 383.290 1.140 20 0 GDADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]Cc2cnc3cnccn23)C1 ZINC000377353784 532255793 /nfs/dbraw/zinc/25/57/93/532255793.db2.gz CVFROOBFQVOESK-CYBMUJFWSA-N 1 0 377.495 1.734 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430719977 532256320 /nfs/dbraw/zinc/25/63/20/532256320.db2.gz LMNZPYGEVZSCRF-IUODEOHRSA-N 1 0 387.933 1.901 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430725431 532256360 /nfs/dbraw/zinc/25/63/60/532256360.db2.gz SZJITUACZYHRKJ-BXKDBHETSA-N 1 0 390.303 1.368 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000333952103 532259242 /nfs/dbraw/zinc/25/92/42/532259242.db2.gz ZQVXBWHKNGFQSA-CYBMUJFWSA-N 1 0 396.289 1.578 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000288077179 532261815 /nfs/dbraw/zinc/26/18/15/532261815.db2.gz QFCBUCYTXUODFG-JTQLQIEISA-N 1 0 392.257 1.493 20 0 GDADRO O=C([C@H]1COc2ccc(Br)cc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377524427 532262899 /nfs/dbraw/zinc/26/28/99/532262899.db2.gz MPHPOOAZANGPOD-HIFRSBDPSA-N 1 0 380.286 1.431 20 0 GDADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)S(=O)(=O)C[C@H]1CCOC1 ZINC000431275762 532263139 /nfs/dbraw/zinc/26/31/39/532263139.db2.gz RZPKNSVVHPYOHX-HOTGVXAUSA-N 1 0 376.519 1.092 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC[N@H+](C)CCN(C)C ZINC000288258359 532276339 /nfs/dbraw/zinc/27/63/39/532276339.db2.gz CGSYPRBLOWUAOY-UHFFFAOYSA-N 1 0 391.921 1.288 20 0 GDADRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ncc(Br)cn1 ZINC000431979744 532277057 /nfs/dbraw/zinc/27/70/57/532277057.db2.gz FTRZOCGYIVUXQK-LLVKDONJSA-N 1 0 386.294 1.710 20 0 GDADRO Cc1nc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c(Br)n1C ZINC000288326015 532282289 /nfs/dbraw/zinc/28/22/89/532282289.db2.gz WYNSENZIYPYWGP-GFCCVEGCSA-N 1 0 397.364 1.207 20 0 GDADRO C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)C1CCS(=O)(=O)CC1 ZINC000275277676 532283227 /nfs/dbraw/zinc/28/32/27/532283227.db2.gz DDJVDOPYGCOGFF-ABAIWWIYSA-N 1 0 389.901 1.948 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000275396623 532292656 /nfs/dbraw/zinc/29/26/56/532292656.db2.gz NTOIRFMPAFQUGG-SWLSCSKDSA-N 1 0 390.527 1.379 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000388449102 532296639 /nfs/dbraw/zinc/29/66/39/532296639.db2.gz YAJVEBOODZEXQS-UHFFFAOYSA-N 1 0 394.278 1.805 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Br)c1 ZINC000389833978 532297105 /nfs/dbraw/zinc/29/71/05/532297105.db2.gz WNVVISMQCYYXCA-VIFPVBQESA-N 1 0 383.695 1.759 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000394429077 532301284 /nfs/dbraw/zinc/30/12/84/532301284.db2.gz SWTHBVYIQILIIS-SECBINFHSA-N 1 0 382.711 1.284 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)c2ccncc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000395917094 532301378 /nfs/dbraw/zinc/30/13/78/532301378.db2.gz BJJZZYIRZKTSCZ-SWLSCSKDSA-N 1 0 395.301 1.565 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cccc(I)c1 ZINC000394815337 532301607 /nfs/dbraw/zinc/30/16/07/532301607.db2.gz VGXUFWQIQHYARE-AWEZNQCLSA-N 1 0 385.249 1.411 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000288660963 532302198 /nfs/dbraw/zinc/30/21/98/532302198.db2.gz BDDUMTWJJZCELM-UHFFFAOYSA-N 1 0 399.333 1.696 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000397488440 532302833 /nfs/dbraw/zinc/30/28/33/532302833.db2.gz FRWUKLHCOFWJPV-UHFFFAOYSA-N 1 0 381.267 1.323 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000400199616 532303976 /nfs/dbraw/zinc/30/39/76/532303976.db2.gz DFIJUXGOQWPWHT-JKSUJKDBSA-N 1 0 376.906 1.231 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cc(OC)ccc1I ZINC000288740347 532305716 /nfs/dbraw/zinc/30/57/16/532305716.db2.gz MGLJQNXEFYGGSS-SNVBAGLBSA-N 1 0 392.193 1.519 20 0 GDADRO CC(C)(CNC(=O)CSc1nc(C(F)F)cc(=O)[nH]1)N1CCOCC1 ZINC000289490625 532325877 /nfs/dbraw/zinc/32/58/77/532325877.db2.gz JJNUGAFVRUTRTI-UHFFFAOYSA-N 1 0 376.429 1.439 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2nc(-c3ccco3)cs2)CCSC1 ZINC000288879231 532310442 /nfs/dbraw/zinc/31/04/42/532310442.db2.gz RIZVVADUPSPPEO-INIZCTEOSA-N 1 0 380.495 1.895 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000288946114 532312091 /nfs/dbraw/zinc/31/20/91/532312091.db2.gz VCPNMHKCTVENJF-UHFFFAOYSA-N 1 0 375.300 1.932 20 0 GDADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(Br)n1 ZINC000289087276 532315114 /nfs/dbraw/zinc/31/51/14/532315114.db2.gz OYPHEKMAHHNPDP-NEPJUHHUSA-N 1 0 381.274 1.868 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)s1 ZINC000276059320 532318466 /nfs/dbraw/zinc/31/84/66/532318466.db2.gz ZQXUTFCYQSMPIK-LLVKDONJSA-N 1 0 376.500 1.000 20 0 GDADRO Cc1ccc(Br)nc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000276094449 532319557 /nfs/dbraw/zinc/31/95/57/532319557.db2.gz BEHQODUNKZXYCK-CYBMUJFWSA-N 1 0 397.317 1.825 20 0 GDADRO COc1cc(C[NH2+][C@H]2COC[C@@H]2OC)cc(I)c1OC ZINC000289922059 532333936 /nfs/dbraw/zinc/33/39/36/532333936.db2.gz VKSMAEYJJMVTFV-AAEUAGOBSA-N 1 0 393.221 1.812 20 0 GDADRO COc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(I)c1 ZINC000290050641 532335897 /nfs/dbraw/zinc/33/58/97/532335897.db2.gz HDWSNSFXWKXGPX-MNOVXSKESA-N 1 0 386.233 1.981 20 0 GDADRO C[C@H](NC(=O)NCC1(CO)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359906164 206269558 /nfs/dbraw/zinc/26/95/58/206269558.db2.gz WIUQUEWQVAHOKY-HKUYNNGSSA-N 1 0 375.513 1.985 20 0 GDADRO COc1ccc2c(CC(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)coc2c1 ZINC000359942300 206272062 /nfs/dbraw/zinc/27/20/62/206272062.db2.gz SYZIYUNBKNBSOH-GOSISDBHSA-N 1 0 385.464 1.925 20 0 GDADRO Cc1nccn1-c1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000359928797 206270447 /nfs/dbraw/zinc/27/04/47/206270447.db2.gz ZWRZGOXYYAQJQL-CABCVRRESA-N 1 0 384.484 1.751 20 0 GDADRO COc1ccc2c(CC(=O)N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)coc2c1 ZINC000359942302 206271767 /nfs/dbraw/zinc/27/17/67/206271767.db2.gz SYZIYUNBKNBSOH-SFHVURJKSA-N 1 0 385.464 1.925 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)CCn3cnc4sccc4c3=O)cn2)CC1 ZINC000014521960 207021860 /nfs/dbraw/zinc/02/18/60/207021860.db2.gz MPOZIJYQYXUODO-UHFFFAOYSA-N 1 0 398.492 1.634 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736295587 598827097 /nfs/dbraw/zinc/82/70/97/598827097.db2.gz VQKOBMBGDVOGON-FHLIZLRMSA-N 1 0 381.484 1.531 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000737546698 598828190 /nfs/dbraw/zinc/82/81/90/598828190.db2.gz FYFJPCYZVJGDJS-TZMCWYRMSA-N 1 0 381.440 1.868 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736294330 598836265 /nfs/dbraw/zinc/83/62/65/598836265.db2.gz RCSFJRLPEMVSPQ-MNOVXSKESA-N 1 0 382.877 1.377 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000737525495 598851530 /nfs/dbraw/zinc/85/15/30/598851530.db2.gz RHDXTSCKBHGBBG-AWEZNQCLSA-N 1 0 395.471 1.369 20 0 GDADRO COC(=O)[C@@H]1CC12CC[NH+]([C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)CC2 ZINC000736909572 598872747 /nfs/dbraw/zinc/87/27/47/598872747.db2.gz QWLRGEVYTWQKAG-JSGCOSHPSA-N 1 0 384.440 1.469 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000738347232 598873823 /nfs/dbraw/zinc/87/38/23/598873823.db2.gz DFWDKOZGFVNBPZ-CQSZACIVSA-N 1 0 394.476 1.645 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000736858783 598875782 /nfs/dbraw/zinc/87/57/82/598875782.db2.gz BKMHFQCKQIKSOY-OLZOCXBDSA-N 1 0 396.904 1.767 20 0 GDADRO CNC(=O)C1([NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCCC1 ZINC000736872133 598899581 /nfs/dbraw/zinc/89/95/81/598899581.db2.gz YHXFEVLLJMYHNL-UHFFFAOYSA-N 1 0 377.836 1.107 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737290921 598908316 /nfs/dbraw/zinc/90/83/16/598908316.db2.gz YSUYOEUTESCDNN-CQSZACIVSA-N 1 0 383.456 1.058 20 0 GDADRO CN(CCCC[NH+](C)C)C(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736759882 598925179 /nfs/dbraw/zinc/92/51/79/598925179.db2.gz YMYUDKPILXVBCH-UHFFFAOYSA-N 1 0 383.460 1.048 20 0 GDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000736772019 598929783 /nfs/dbraw/zinc/92/97/83/598929783.db2.gz UAMPQNISMKVAEW-UHFFFAOYSA-N 1 0 395.423 1.045 20 0 GDADRO CN(c1ncc(-c2nn[nH]n2)cc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000736853300 598942375 /nfs/dbraw/zinc/94/23/75/598942375.db2.gz VJQMPSJMUYXUQS-AWEZNQCLSA-N 1 0 376.896 1.520 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1c2ccccc2nnc1-c1nn[nH]n1 ZINC000736745260 598964656 /nfs/dbraw/zinc/96/46/56/598964656.db2.gz FRSZJBVFDRVOMM-HNNXBMFYSA-N 1 0 395.471 1.165 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000737032604 598986269 /nfs/dbraw/zinc/98/62/69/598986269.db2.gz MQHWKTMRMWOMMW-UHFFFAOYSA-N 1 0 383.456 1.863 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000737033642 598986535 /nfs/dbraw/zinc/98/65/35/598986535.db2.gz VZGUKKJRCCPAST-CQSZACIVSA-N 1 0 390.488 1.031 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000737222361 599003734 /nfs/dbraw/zinc/00/37/34/599003734.db2.gz YYHRNCYGEBGFMV-UHFFFAOYSA-N 1 0 392.529 1.916 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000736565576 599007817 /nfs/dbraw/zinc/00/78/17/599007817.db2.gz LVWRNYWCBCWMHX-RYUDHWBXSA-N 1 0 382.465 1.499 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000737549536 599035758 /nfs/dbraw/zinc/03/57/58/599035758.db2.gz YLEBFUDIVTYIGW-AWEZNQCLSA-N 1 0 383.456 1.973 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736572682 599046758 /nfs/dbraw/zinc/04/67/58/599046758.db2.gz ZSFBNKUALPYRBK-LBPRGKRZSA-N 1 0 398.437 1.966 20 0 GDADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCCOc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000736614296 599050755 /nfs/dbraw/zinc/05/07/55/599050755.db2.gz UQPYJSHANOIWOW-QZTJIDSGSA-N 1 0 387.484 1.888 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(CN(C)c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736148636 599053355 /nfs/dbraw/zinc/05/33/55/599053355.db2.gz QWPKLKLFUGHWDL-LLVKDONJSA-N 1 0 399.421 1.810 20 0 GDADRO CC[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](C)O ZINC000736407140 599053847 /nfs/dbraw/zinc/05/38/47/599053847.db2.gz NODNEPUQUFAXKB-GHMZBOCLSA-N 1 0 385.394 1.562 20 0 GDADRO CC[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000736407227 599054030 /nfs/dbraw/zinc/05/40/30/599054030.db2.gz PDFKKZBMQNOEAJ-NSHDSACASA-N 1 0 385.394 1.828 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000737005336 599059127 /nfs/dbraw/zinc/05/91/27/599059127.db2.gz APPWYIJUYIVHDI-LLVKDONJSA-N 1 0 397.386 1.310 20 0 GDADRO C[N@H+](CCCO)C1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736798130 599060564 /nfs/dbraw/zinc/06/05/64/599060564.db2.gz QFISGWXHXRPBJO-UHFFFAOYSA-N 1 0 385.394 1.564 20 0 GDADRO Cc1ccc(N2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737352906 599071148 /nfs/dbraw/zinc/07/11/48/599071148.db2.gz SXGIPWXATKOKFL-LJQANCHMSA-N 1 0 391.479 1.914 20 0 GDADRO C[NH+](C)C[C@H](Cc1ccccc1)N[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736761437 599093104 /nfs/dbraw/zinc/09/31/04/599093104.db2.gz FQCPMLSGAXVLKU-ZWKOTPCHSA-N 1 0 379.468 1.156 20 0 GDADRO CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000735652809 599094790 /nfs/dbraw/zinc/09/47/90/599094790.db2.gz SDKSQMHJWHVNKH-WMLDXEAASA-N 1 0 394.483 1.492 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000737296958 599178630 /nfs/dbraw/zinc/17/86/30/599178630.db2.gz CDUCGWJKOLOJJB-HNNXBMFYSA-N 1 0 380.518 1.820 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CCO1 ZINC000736758365 599212714 /nfs/dbraw/zinc/21/27/14/599212714.db2.gz GKQNSYPGWLPCJE-ZDUSSCGKSA-N 1 0 376.465 1.218 20 0 GDADRO C[NH+](C)CCOc1ccccc1C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736768752 599215509 /nfs/dbraw/zinc/21/55/09/599215509.db2.gz JRIJBOHDXYEGGQ-UHFFFAOYSA-N 1 0 396.451 1.616 20 0 GDADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000821596386 599215605 /nfs/dbraw/zinc/21/56/05/599215605.db2.gz IMNPJCZEMPCFHE-MRXNPFEDSA-N 1 0 377.452 1.856 20 0 GDADRO CC[C@@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000736406830 599244605 /nfs/dbraw/zinc/24/46/05/599244605.db2.gz CXUMAEVBYZTLCS-CYBMUJFWSA-N 1 0 377.424 1.580 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cccc1-c1nn[nH]n1 ZINC000822046122 607278724 /nfs/dbraw/zinc/27/87/24/607278724.db2.gz YOBMIQZVDHYXOF-HNNXBMFYSA-N 1 0 397.483 1.304 20 0 GDADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccncc3-c3nn[nH]n3)cc2)CC1 ZINC000735883504 599251604 /nfs/dbraw/zinc/25/16/04/599251604.db2.gz ZZKFRUAEIWVVQQ-UHFFFAOYSA-N 1 0 392.467 1.466 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC[N@H+](C)CCCOC ZINC000821412433 599265408 /nfs/dbraw/zinc/26/54/08/599265408.db2.gz LFOZTEXVKGPJTG-UHFFFAOYSA-N 1 0 377.449 1.355 20 0 GDADRO COc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@H](C(=O)[O-])C2)[NH+]2CCCCC2)cc1 ZINC000818583101 597524941 /nfs/dbraw/zinc/52/49/41/597524941.db2.gz ZYTPVVGDUJMRCW-PKOBYXMFSA-N 1 0 389.496 1.745 20 0 GDADRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)c1ccsc1 ZINC000736758766 599267458 /nfs/dbraw/zinc/26/74/58/599267458.db2.gz HVWLQEFNFXFOFM-CQSZACIVSA-N 1 0 393.498 1.290 20 0 GDADRO Cc1nnc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c(-c2nn[nH]n2)c1C ZINC000737522523 599268534 /nfs/dbraw/zinc/26/85/34/599268534.db2.gz VHPAQTHUBRCETI-ZDUSSCGKSA-N 1 0 394.487 1.291 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000737290388 599284292 /nfs/dbraw/zinc/28/42/92/599284292.db2.gz VAPNNRMNJJGANF-AWEZNQCLSA-N 1 0 385.472 1.350 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823149868 607324634 /nfs/dbraw/zinc/32/46/34/607324634.db2.gz IUFGHSWAUWXCIC-LBPRGKRZSA-N 1 0 378.383 1.128 20 0 GDADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC000820057108 607333135 /nfs/dbraw/zinc/33/31/35/607333135.db2.gz WPDGIBXPRHRDAK-GFCCVEGCSA-N 1 0 377.424 1.037 20 0 GDADRO CC(C)C[N@H+](CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CC1 ZINC000735829262 598232162 /nfs/dbraw/zinc/23/21/62/598232162.db2.gz FPALXSPSTGMFMV-LJQANCHMSA-N 1 0 383.456 1.712 20 0 GDADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738040017 598266481 /nfs/dbraw/zinc/26/64/81/598266481.db2.gz ONFSJIHATZWJLV-UHFFFAOYSA-N 1 0 389.435 1.772 20 0 GDADRO C[C@H](C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736236560 598285073 /nfs/dbraw/zinc/28/50/73/598285073.db2.gz LBPWEKJCDGHURH-QLFBSQMISA-N 1 0 384.488 1.172 20 0 GDADRO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000735685097 598299796 /nfs/dbraw/zinc/29/97/96/598299796.db2.gz NXKKGWLGPUBMJX-GJZGRUSLSA-N 1 0 399.499 1.678 20 0 GDADRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000735685456 598299988 /nfs/dbraw/zinc/29/99/88/598299988.db2.gz VWFCDYFZDTYPMQ-OAHLLOKOSA-N 1 0 399.499 1.680 20 0 GDADRO CC[N@H+](CCNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)C1CC1 ZINC000736537977 598305210 /nfs/dbraw/zinc/30/52/10/598305210.db2.gz ZYLSLACGVQLHJQ-UHFFFAOYSA-N 1 0 384.488 1.183 20 0 GDADRO COc1ccc(C[NH+]2CCC(CNc3nccnc3-c3nn[nH]n3)CC2)cc1 ZINC000737090275 598349750 /nfs/dbraw/zinc/34/97/50/598349750.db2.gz DXEGZVFCHXNZDA-UHFFFAOYSA-N 1 0 380.456 1.989 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843693 598351558 /nfs/dbraw/zinc/35/15/58/598351558.db2.gz MNAUEUAGMOOCAS-CQSZACIVSA-N 1 0 381.444 1.199 20 0 GDADRO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000737479917 598351928 /nfs/dbraw/zinc/35/19/28/598351928.db2.gz FPTGUZUTDGRCOG-UHFFFAOYSA-N 1 0 390.455 1.174 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000736860275 598353141 /nfs/dbraw/zinc/35/31/41/598353141.db2.gz NGUGQYJFBOBCPM-UONOGXRCSA-N 1 0 375.502 1.815 20 0 GDADRO Cn1ccnc1CN1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737616950 598357849 /nfs/dbraw/zinc/35/78/49/598357849.db2.gz XFVCDVDRYBQTIW-UHFFFAOYSA-N 1 0 382.472 1.187 20 0 GDADRO O[C@@H](C[NH2+]C[C@H]1COc2ccccc2C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738380318 598373188 /nfs/dbraw/zinc/37/31/88/598373188.db2.gz FQEGZCRXQFEHOH-YOEHRIQHSA-N 1 0 381.436 1.447 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000736635863 598392836 /nfs/dbraw/zinc/39/28/36/598392836.db2.gz IEHSPYZTSDNRBA-CYBMUJFWSA-N 1 0 388.476 1.023 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736457040 598406154 /nfs/dbraw/zinc/40/61/54/598406154.db2.gz KNEQOZRDUMMWGS-QGZVFWFLSA-N 1 0 399.499 1.367 20 0 GDADRO Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(-c2nn[nH]n2)c1C ZINC000737523480 598422273 /nfs/dbraw/zinc/42/22/73/598422273.db2.gz YKNOUCRGHFVURD-INIZCTEOSA-N 1 0 380.456 1.129 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)CCc1c(C)nc2c(-c3nn[nH]n3)cnn2c1C ZINC000736323905 598425207 /nfs/dbraw/zinc/42/52/07/598425207.db2.gz ZMJVYMUMRGIJLN-LBPRGKRZSA-N 1 0 399.503 1.305 20 0 GDADRO O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000738356396 598430143 /nfs/dbraw/zinc/43/01/43/598430143.db2.gz AXUADKNPUVUDJD-UHFFFAOYSA-N 1 0 390.513 1.753 20 0 GDADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736855522 598445519 /nfs/dbraw/zinc/44/55/19/598445519.db2.gz CSUUXEJTNIQRNT-UHFFFAOYSA-N 1 0 378.440 1.656 20 0 GDADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC000737142368 598456800 /nfs/dbraw/zinc/45/68/00/598456800.db2.gz NCPDBWLLVGURRU-QGZVFWFLSA-N 1 0 393.451 1.837 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000737024705 598467369 /nfs/dbraw/zinc/46/73/69/598467369.db2.gz NMJQYDWUGQJELP-OAHLLOKOSA-N 1 0 386.456 1.341 20 0 GDADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736253869 598470011 /nfs/dbraw/zinc/47/00/11/598470011.db2.gz WMRBBLHHXLNSIU-VXGBXAGGSA-N 1 0 382.465 1.547 20 0 GDADRO C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736237317 598472603 /nfs/dbraw/zinc/47/26/03/598472603.db2.gz PIWVLOPJBCVVAT-RBSFLKMASA-N 1 0 398.515 1.608 20 0 GDADRO O=C([C@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)N1CCOCC1 ZINC000737791875 598475623 /nfs/dbraw/zinc/47/56/23/598475623.db2.gz MFGBQDDEJIQVFT-QGZVFWFLSA-N 1 0 395.467 1.333 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000737289329 598485430 /nfs/dbraw/zinc/48/54/30/598485430.db2.gz QRHNMTPVNJOGBP-MRXNPFEDSA-N 1 0 397.483 1.591 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000735888939 598505403 /nfs/dbraw/zinc/50/54/03/598505403.db2.gz SNILJZSSEPBRKF-CYBMUJFWSA-N 1 0 377.880 1.921 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738328420 598511129 /nfs/dbraw/zinc/51/11/29/598511129.db2.gz AUEBWDWXAYKCCQ-QGZVFWFLSA-N 1 0 390.513 1.647 20 0 GDADRO FC(F)(F)c1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000737635898 598517835 /nfs/dbraw/zinc/51/78/35/598517835.db2.gz PIAWDCKTFHXJKE-LLVKDONJSA-N 1 0 378.362 1.914 20 0 GDADRO CC(C)Oc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735914782 598519376 /nfs/dbraw/zinc/51/93/76/598519376.db2.gz JIJZPKJLBMHQRG-OAHLLOKOSA-N 1 0 382.472 1.724 20 0 GDADRO CC(C)COc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735845207 598525350 /nfs/dbraw/zinc/52/53/50/598525350.db2.gz SLMPCABRQMFCQR-HNNXBMFYSA-N 1 0 382.472 1.930 20 0 GDADRO CCCC[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736457711 598539112 /nfs/dbraw/zinc/53/91/12/598539112.db2.gz YEWUOUFJKOXDGG-MRXNPFEDSA-N 1 0 393.513 1.925 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCCC1 ZINC000736008397 598595091 /nfs/dbraw/zinc/59/50/91/598595091.db2.gz LEPHITNIZITUCX-CRAIPNDOSA-N 1 0 383.500 1.684 20 0 GDADRO C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@@H+]2CCC[C@H]2C2CCC2)C1=O ZINC000736225135 598600297 /nfs/dbraw/zinc/60/02/97/598600297.db2.gz WESRPDDHLWDEMF-JXFKEZNVSA-N 1 0 395.467 1.856 20 0 GDADRO C[C@@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1ccc2c(c1)CC(=O)N2C ZINC000736135120 598617162 /nfs/dbraw/zinc/61/71/62/598617162.db2.gz NCGIHUCHQCAFLC-LLVKDONJSA-N 1 0 389.423 1.279 20 0 GDADRO COc1cccc2c1OC[C@@H]([NH2+]Cc1cnc3c(-c4nn[nH]n4)cnn3c1)C2 ZINC000737142169 598617633 /nfs/dbraw/zinc/61/76/33/598617633.db2.gz IFWCHFZRILKEIP-ZDUSSCGKSA-N 1 0 378.396 1.011 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735835384 598664501 /nfs/dbraw/zinc/66/45/01/598664501.db2.gz IJIFHELTIIXGLY-OAHLLOKOSA-N 1 0 390.513 1.432 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)C[NH+]1CCCCC1 ZINC000736026826 598691308 /nfs/dbraw/zinc/69/13/08/598691308.db2.gz RVAPDLZHVVGGRR-GFCCVEGCSA-N 1 0 382.465 1.406 20 0 GDADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738109154 598697939 /nfs/dbraw/zinc/69/79/39/598697939.db2.gz MHZCIOGXDSMERU-UHFFFAOYSA-N 1 0 393.451 1.666 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736767766 598701533 /nfs/dbraw/zinc/70/15/33/598701533.db2.gz SCYSBEMSXWMLGI-OAHLLOKOSA-N 1 0 390.513 1.528 20 0 GDADRO CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736870317 598705174 /nfs/dbraw/zinc/70/51/74/598705174.db2.gz HRAUDQDTGCDBRH-MNOVXSKESA-N 1 0 391.863 1.305 20 0 GDADRO CCc1cccc2c(CC[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c[nH]c21 ZINC000736695884 598714206 /nfs/dbraw/zinc/71/42/06/598714206.db2.gz RTWBXYNHMIRJQU-ZDUSSCGKSA-N 1 0 391.483 1.981 20 0 GDADRO COC[C@@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736969260 598757734 /nfs/dbraw/zinc/75/77/34/598757734.db2.gz WBJQIPPEORYIIM-FQEVSTJZSA-N 1 0 383.452 1.933 20 0 GDADRO Cc1noc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)n1 ZINC000737534838 598761293 /nfs/dbraw/zinc/76/12/93/598761293.db2.gz MZCNSOQJZLMDJP-CYBMUJFWSA-N 1 0 382.428 1.766 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)NCCSCc1ccccc1-c1nn[nH]n1 ZINC000736798956 598801857 /nfs/dbraw/zinc/80/18/57/598801857.db2.gz LEYVECLDGFZRHQ-UHFFFAOYSA-N 1 0 389.529 1.837 20 0 GDADRO Cc1nc(SCC(=O)NC[C@H]2CCC[N@H+]2C)c(-c2nn[nH]n2)c(C)c1C ZINC000737481918 598813840 /nfs/dbraw/zinc/81/38/40/598813840.db2.gz CMPYSBMHZOOIHW-CYBMUJFWSA-N 1 0 375.502 1.489 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736568372 598821183 /nfs/dbraw/zinc/82/11/83/598821183.db2.gz AQUPKDYGVQURKQ-INIZCTEOSA-N 1 0 384.488 1.221 20 0 GDADRO CC(=O)N1CCCN([C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)CC1 ZINC000735467032 599298448 /nfs/dbraw/zinc/29/84/48/599298448.db2.gz YCPCABAPNMZBLI-BEFAXECRSA-N 1 0 383.500 1.241 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000736133319 599299903 /nfs/dbraw/zinc/29/99/03/599299903.db2.gz RRIPLFWPLPWJNI-KEYYUXOJSA-N 1 0 392.529 1.966 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000736408260 599301162 /nfs/dbraw/zinc/30/11/62/599301162.db2.gz RJXXTSAIESSCCK-UKRRQHHQSA-N 1 0 394.501 1.025 20 0 GDADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000468262443 599317711 /nfs/dbraw/zinc/31/77/11/599317711.db2.gz UANGKYQFHDZYDS-UHFFFAOYSA-N 1 0 377.452 1.866 20 0 GDADRO CC[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000736384850 599320203 /nfs/dbraw/zinc/32/02/03/599320203.db2.gz ZPRHXGQXXZWFFU-AWEZNQCLSA-N 1 0 385.447 1.755 20 0 GDADRO O=C(CC[N@H+]1CCC[C@@H]1CO)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000737842914 599322175 /nfs/dbraw/zinc/32/21/75/599322175.db2.gz FKDFGYMHHDAAKN-LLVKDONJSA-N 1 0 376.486 1.592 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000821625422 599342878 /nfs/dbraw/zinc/34/28/78/599342878.db2.gz NJMVCASBBLOSRR-QWHCGFSZSA-N 1 0 380.449 1.253 20 0 GDADRO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420416 599361884 /nfs/dbraw/zinc/36/18/84/599361884.db2.gz QLFGGOXOWYGJQB-ZDUSSCGKSA-N 1 0 383.456 1.772 20 0 GDADRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419838 599375557 /nfs/dbraw/zinc/37/55/57/599375557.db2.gz KMXHCNANKREQRN-ZDUSSCGKSA-N 1 0 387.465 2.000 20 0 GDADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000820137357 599413090 /nfs/dbraw/zinc/41/30/90/599413090.db2.gz JTZFSTHOEKQPRR-UHFFFAOYSA-N 1 0 390.469 1.577 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821687899 599444312 /nfs/dbraw/zinc/44/43/12/599444312.db2.gz UWRSYUAUEOXTOI-AWEZNQCLSA-N 1 0 387.488 1.728 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1ccccc1Cl ZINC000820275708 599453516 /nfs/dbraw/zinc/45/35/16/599453516.db2.gz QYCMKTDWTXKAKO-NWDGAFQWSA-N 1 0 388.863 1.815 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000738100648 599454742 /nfs/dbraw/zinc/45/47/42/599454742.db2.gz CHFMJSVKUSHBST-HNNXBMFYSA-N 1 0 385.472 1.167 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(-n2ccnc2)c1 ZINC000820420316 599461851 /nfs/dbraw/zinc/46/18/51/599461851.db2.gz 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C[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H](CCO)c1ccccc1 ZINC000821595455 599584998 /nfs/dbraw/zinc/58/49/98/599584998.db2.gz XQJSHXOKMWREIV-MJGOQNOKSA-N 1 0 383.452 1.662 20 0 GDADRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C1 ZINC000736757551 599594021 /nfs/dbraw/zinc/59/40/21/599594021.db2.gz UNWRZQXJAJDIRI-SNVBAGLBSA-N 1 0 390.391 1.210 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c1-c1nn[nH]n1 ZINC000822319114 599596844 /nfs/dbraw/zinc/59/68/44/599596844.db2.gz IZYQSDMYLNBCRB-UHFFFAOYSA-N 1 0 385.472 1.496 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821625497 599607117 /nfs/dbraw/zinc/60/71/17/599607117.db2.gz POUBXIYQVRROIY-JTQLQIEISA-N 1 0 397.361 1.034 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1-c1nn[nH]n1 ZINC000822313631 599607645 /nfs/dbraw/zinc/60/76/45/599607645.db2.gz OLYRAMSYNOYDPV-HNNXBMFYSA-N 1 0 397.483 1.591 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820057368 599669821 /nfs/dbraw/zinc/66/98/21/599669821.db2.gz ZGDAXKSWPIGPLN-HNNXBMFYSA-N 1 0 375.477 1.521 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821268370 599674363 /nfs/dbraw/zinc/67/43/63/599674363.db2.gz VNWZCDNCWRWWNZ-MRXNPFEDSA-N 1 0 399.503 1.014 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000822152346 599694911 /nfs/dbraw/zinc/69/49/11/599694911.db2.gz HEFIOEAVUVKNSX-UHFFFAOYSA-N 1 0 380.518 1.962 20 0 GDADRO CN1CCO[C@@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)cc2)C1 ZINC000821628636 599697925 /nfs/dbraw/zinc/69/79/25/599697925.db2.gz MZZBYBXVGYHPRF-QGZVFWFLSA-N 1 0 380.408 1.928 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c(C)s1 ZINC000822211845 607390968 /nfs/dbraw/zinc/39/09/68/607390968.db2.gz QCWFRADZZKPXBQ-UHFFFAOYSA-N 1 0 392.510 1.613 20 0 GDADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 ZINC000824776928 607394328 /nfs/dbraw/zinc/39/43/28/607394328.db2.gz 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CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824261786 607512972 /nfs/dbraw/zinc/51/29/72/607512972.db2.gz QCIMDYAAAGGKHS-OAHLLOKOSA-N 1 0 399.499 1.081 20 0 GDADRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000825915317 607527092 /nfs/dbraw/zinc/52/70/92/607527092.db2.gz XRADFNUQOSXMCM-MRXNPFEDSA-N 1 0 380.456 1.938 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000826476125 607528086 /nfs/dbraw/zinc/52/80/86/607528086.db2.gz BEAUXAFKNDUUOB-VNHYZAJKSA-N 1 0 388.497 1.782 20 0 GDADRO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000826364187 607529655 /nfs/dbraw/zinc/52/96/55/607529655.db2.gz NLDBSCCIECDOOJ-GOSISDBHSA-N 1 0 392.467 1.799 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)[C@H](C)C1 ZINC000825454266 607548493 /nfs/dbraw/zinc/54/84/93/607548493.db2.gz ZYBXMVUSNLVOHE-ZIAGYGMSSA-N 1 0 378.502 1.526 20 0 GDADRO COc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1-c1nn[nH]n1 ZINC000826199218 607569380 /nfs/dbraw/zinc/56/93/80/607569380.db2.gz SSIHTTJTBMYHNK-AWEZNQCLSA-N 1 0 387.488 1.797 20 0 GDADRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000740367079 602527537 /nfs/dbraw/zinc/52/75/37/602527537.db2.gz DWWNSIRXMZRNJV-QZTJIDSGSA-N 1 0 378.517 1.726 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)C[NH+]1CCCC1 ZINC000824426760 607591704 /nfs/dbraw/zinc/59/17/04/607591704.db2.gz HOKUONLWRSUIHS-NSHDSACASA-N 1 0 384.893 1.530 20 0 GDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000824770137 607595640 /nfs/dbraw/zinc/59/56/40/607595640.db2.gz FHJBSZXVJVLMOV-ZBFHGGJFSA-N 1 0 398.492 1.981 20 0 GDADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000825328398 607597424 /nfs/dbraw/zinc/59/74/24/607597424.db2.gz RDJKZLOLGFOGRL-UHFFFAOYSA-N 1 0 382.465 1.501 20 0 GDADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000825285110 607598768 /nfs/dbraw/zinc/59/87/68/607598768.db2.gz JSEUQQBZPOQCTJ-UHFFFAOYSA-N 1 0 382.465 1.549 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1-c1nn[nH]n1 ZINC000826303045 607601303 /nfs/dbraw/zinc/60/13/03/607601303.db2.gz YPNLINYJYBBETN-CQSZACIVSA-N 1 0 378.502 1.574 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826028864 607616762 /nfs/dbraw/zinc/61/67/62/607616762.db2.gz JTZYCKUXZPLFHT-LLVKDONJSA-N 1 0 384.893 1.482 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825220147 607624050 /nfs/dbraw/zinc/62/40/50/607624050.db2.gz PTSBDLFKQGJIFK-CABCVRRESA-N 1 0 385.472 1.644 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825221065 607640225 /nfs/dbraw/zinc/64/02/25/607640225.db2.gz XUUDAJBWOHHSLI-CABCVRRESA-N 1 0 387.488 1.964 20 0 GDADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000825412488 607645681 /nfs/dbraw/zinc/64/56/81/607645681.db2.gz QEPWINCFWDLXMJ-UHFFFAOYSA-N 1 0 396.492 1.748 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000825219139 607652645 /nfs/dbraw/zinc/65/26/45/607652645.db2.gz HRKNXVYEWZEJEC-QWHCGFSZSA-N 1 0 380.449 1.253 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000826249375 607655417 /nfs/dbraw/zinc/65/54/17/607655417.db2.gz ZSBDCTONJHVGRC-UHFFFAOYSA-N 1 0 392.467 1.252 20 0 GDADRO Cn1cc(I)c(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)n1 ZINC000529330792 649940528 /nfs/dbraw/zinc/94/05/28/649940528.db2.gz NGYXHAXTSSPYIO-NSHDSACASA-N 1 0 389.241 1.109 20 0 GDADRO O=S(=O)(NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1-c1nn[nH]n1 ZINC000826488110 607666464 /nfs/dbraw/zinc/66/64/64/607666464.db2.gz IGMNJMZCHNEHHU-UHFFFAOYSA-N 1 0 390.513 1.942 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[nH]n3)CC[C@H]21 ZINC000826033809 607673749 /nfs/dbraw/zinc/67/37/49/607673749.db2.gz KNIXMRYMKVBXBC-BXUZGUMPSA-N 1 0 380.449 1.111 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1-c1nn[nH]n1 ZINC000826302578 607678816 /nfs/dbraw/zinc/67/88/16/607678816.db2.gz NGLRXKYZVHEJHO-HNNXBMFYSA-N 1 0 392.529 1.821 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)c1scc(Br)c1Br ZINC000529385939 649942511 /nfs/dbraw/zinc/94/25/11/649942511.db2.gz FFKRVLLKRZODMI-ZCFIWIBFSA-N 1 0 386.109 1.925 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC3CCN(C(=O)[O-])CC3)c2)C1 ZINC000831179383 604510627 /nfs/dbraw/zinc/51/06/27/604510627.db2.gz WNGNOMMTEAUSDG-LJQANCHMSA-N 1 0 388.512 1.864 20 0 GDADRO C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)c2ccccc2C(=O)[O-])CC1 ZINC000827796096 604755064 /nfs/dbraw/zinc/75/50/64/604755064.db2.gz LHQHQZZZKYKFDI-HNNXBMFYSA-N 1 0 377.485 1.372 20 0 GDADRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCOCC1)c1ccccc1 ZINC000824539134 607738690 /nfs/dbraw/zinc/73/86/90/607738690.db2.gz LPYZYRLGUPRJJM-CQSZACIVSA-N 1 0 395.467 1.825 20 0 GDADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000826160000 607751934 /nfs/dbraw/zinc/75/19/34/607751934.db2.gz ATAIDEDRXXYCAV-SFHVURJKSA-N 1 0 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ZINC000826073400 608019245 /nfs/dbraw/zinc/01/92/45/608019245.db2.gz QPWSVHHWFRANJU-UHFFFAOYSA-N 1 0 396.455 1.421 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2ccc(OC)cc2)c1-c1nn[nH]n1 ZINC000826073387 608020119 /nfs/dbraw/zinc/02/01/19/608020119.db2.gz QDGARWOFGXLFBB-LLVKDONJSA-N 1 0 384.444 1.493 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@@H]2CCCC[C@H]2C)c1-c1nn[nH]n1 ZINC000826077674 608020560 /nfs/dbraw/zinc/02/05/60/608020560.db2.gz QFSAKNUOVSVHRZ-DGCLKSJQSA-N 1 0 376.465 1.276 20 0 GDADRO CC[C@@H](Oc1ccccc1C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825159383 608020970 /nfs/dbraw/zinc/02/09/70/608020970.db2.gz OGJHYSUZBCACQC-CQSZACIVSA-N 1 0 398.471 1.846 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2cc(C)ccc2F)c1-c1nn[nH]n1 ZINC000826077564 608022108 /nfs/dbraw/zinc/02/21/08/608022108.db2.gz MPHHUXMKYBVDCK-UHFFFAOYSA-N 1 0 388.407 1.207 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cccc3)nc2)c1-c1nn[nH]n1 ZINC000826083557 608022469 /nfs/dbraw/zinc/02/24/69/608022469.db2.gz MWYWJZHWPJTBSU-UHFFFAOYSA-N 1 0 392.427 1.180 20 0 GDADRO CN(CC[NH+]1CCCC1)CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000825938743 608032873 /nfs/dbraw/zinc/03/28/73/608032873.db2.gz YDYGUWFQBHRPND-UHFFFAOYSA-N 1 0 395.471 1.019 20 0 GDADRO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824776977 608033615 /nfs/dbraw/zinc/03/36/15/608033615.db2.gz GFJJUOPBPHILBM-NSHDSACASA-N 1 0 394.443 1.848 20 0 GDADRO CSc1ccc(OCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1 ZINC000826230723 608034936 /nfs/dbraw/zinc/03/49/36/608034936.db2.gz HJNFCSYCIBFXRZ-UHFFFAOYSA-N 1 0 388.501 1.837 20 0 GDADRO Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000826307875 608036608 /nfs/dbraw/zinc/03/66/08/608036608.db2.gz ZONJEHQSDCTFME-ZDUSSCGKSA-N 1 0 397.487 1.050 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000825865449 608074009 /nfs/dbraw/zinc/07/40/09/608074009.db2.gz FPUKUTVVDUDFOC-UHFFFAOYSA-N 1 0 396.451 1.542 20 0 GDADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826227105 608088994 /nfs/dbraw/zinc/08/89/94/608088994.db2.gz LTAUQQYHMIAZPI-TUKIKUTGSA-N 1 0 375.502 1.171 20 0 GDADRO NC(=O)[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389464 608099963 /nfs/dbraw/zinc/09/99/63/608099963.db2.gz YWEPYQBWJMIGMC-YJBOKZPZSA-N 1 0 395.442 1.791 20 0 GDADRO CCc1nnc(NCc2ccnc(OCC[NH+](C)C)c2)c(-c2nn[nH]n2)c1CC ZINC000825770610 608100565 /nfs/dbraw/zinc/10/05/65/608100565.db2.gz CXSKMLKVAPCTQG-UHFFFAOYSA-N 1 0 397.487 1.729 20 0 GDADRO COc1ccc(C[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)cc1-c1nn[nH]n1 ZINC000826202169 608113218 /nfs/dbraw/zinc/11/32/18/608113218.db2.gz QJQARHDNHBDBDS-CYBMUJFWSA-N 1 0 391.435 1.764 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)C1CC1 ZINC000824109786 608113625 /nfs/dbraw/zinc/11/36/25/608113625.db2.gz VNPMZPGDIAVNPN-HNNXBMFYSA-N 1 0 398.471 1.907 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826478437 608169622 /nfs/dbraw/zinc/16/96/22/608169622.db2.gz BMEVCZWTEQESQT-ZBFHGGJFSA-N 1 0 383.456 1.186 20 0 GDADRO CC(C)(C)c1nc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cs1 ZINC000824142046 608242532 /nfs/dbraw/zinc/24/25/32/608242532.db2.gz RKZGBGHOGOHDIH-LLVKDONJSA-N 1 0 387.517 1.691 20 0 GDADRO c1cc(N2CCC([NH2+]Cc3nc4c(s3)CCC4)CC2)ncc1-c1nn[nH]n1 ZINC000826516724 608251727 /nfs/dbraw/zinc/25/17/27/608251727.db2.gz YIZXYIRERXCMSN-UHFFFAOYSA-N 1 0 382.497 1.966 20 0 GDADRO Cc1sc(NC(=O)C[NH2+][C@]2(CO)CCc3ccccc32)c(-c2nn[nH]n2)c1C ZINC000826349371 608254016 /nfs/dbraw/zinc/25/40/16/608254016.db2.gz FWRLSBRAPIYLMR-IBGZPJMESA-N 1 0 398.492 1.907 20 0 GDADRO NC(=O)c1cc(OC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccn1 ZINC000826392680 608265042 /nfs/dbraw/zinc/26/50/42/608265042.db2.gz IQCAWMQMAHIUCW-UHFFFAOYSA-N 1 0 379.424 1.404 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000825443751 608314879 /nfs/dbraw/zinc/31/48/79/608314879.db2.gz FJELQYCEYUUJCH-MPGHIAIKSA-N 1 0 383.500 1.777 20 0 GDADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@@H+]1C ZINC000824885328 608334634 /nfs/dbraw/zinc/33/46/34/608334634.db2.gz RWDYGRWUJATYNP-RISCZKNCSA-N 1 0 382.465 1.250 20 0 GDADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000825860092 608342687 /nfs/dbraw/zinc/34/26/87/608342687.db2.gz MDATYQQSEVSKFS-UHFFFAOYSA-N 1 0 396.492 1.748 20 0 GDADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)cc2)CC1 ZINC000825855842 608412347 /nfs/dbraw/zinc/41/23/47/608412347.db2.gz KLEVOCDSZFZLDS-UHFFFAOYSA-N 1 0 380.456 1.978 20 0 GDADRO C[C@H]([NH2+]C1(CNc2ccc(-c3nn[nH]n3)nn2)CCOCC1)c1ccccc1 ZINC000824536912 608417360 /nfs/dbraw/zinc/41/73/60/608417360.db2.gz ACKSUJSDAVJGLH-AWEZNQCLSA-N 1 0 380.456 1.969 20 0 GDADRO COc1ccc([C@@H](CCO)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826189511 608431748 /nfs/dbraw/zinc/43/17/48/608431748.db2.gz XKASACSDJNRBSL-VQIMIIECSA-N 1 0 399.451 1.328 20 0 GDADRO COc1ccc([C@H](CCO)[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826189509 608431884 /nfs/dbraw/zinc/43/18/84/608431884.db2.gz XKASACSDJNRBSL-LPHOPBHVSA-N 1 0 399.451 1.328 20 0 GDADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824004971 608432877 /nfs/dbraw/zinc/43/28/77/608432877.db2.gz IFQOEDHBMQVGHF-CYBMUJFWSA-N 1 0 393.451 1.792 20 0 GDADRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824092845 608458185 /nfs/dbraw/zinc/45/81/85/608458185.db2.gz AOXWDLDSEMBQBI-CQSZACIVSA-N 1 0 390.488 1.137 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)ccc1OCCO ZINC000826177789 608470708 /nfs/dbraw/zinc/47/07/08/608470708.db2.gz VRTABLVNXBYBLJ-CQSZACIVSA-N 1 0 399.451 1.976 20 0 GDADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824571053 608484827 /nfs/dbraw/zinc/48/48/27/608484827.db2.gz PNCASDKEVUNCPT-SJKOYZFVSA-N 1 0 387.465 1.654 20 0 GDADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@H]1CCOC1 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RSNSFWCHQWMUAI-CBHXASLJSA-N 1 0 399.499 1.941 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000825001006 608839510 /nfs/dbraw/zinc/83/95/10/608839510.db2.gz WBORKXFZPVPFCY-AWEZNQCLSA-N 1 0 387.451 1.916 20 0 GDADRO C[C@H](O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000824689713 609146295 /nfs/dbraw/zinc/14/62/95/609146295.db2.gz NEROIZJBKJPAIR-QWRGUYRKSA-N 1 0 376.486 1.448 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259130 609147809 /nfs/dbraw/zinc/14/78/09/609147809.db2.gz IUDGWLIIVDBMHQ-AWEZNQCLSA-N 1 0 392.467 1.575 20 0 GDADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)n(C)n1 ZINC000826269232 609152204 /nfs/dbraw/zinc/15/22/04/609152204.db2.gz FTTFFXJMYMNNSE-NHYWBVRUSA-N 1 0 384.419 1.504 20 0 GDADRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000826153649 609153446 /nfs/dbraw/zinc/15/34/46/609153446.db2.gz VTRWUPNVJVYIBE-GFCCVEGCSA-N 1 0 376.436 1.684 20 0 GDADRO COC1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC000826143488 609187776 /nfs/dbraw/zinc/18/77/76/609187776.db2.gz BNTVHEHNUIXEPN-UHFFFAOYSA-N 1 0 387.488 1.509 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000826469514 609207408 /nfs/dbraw/zinc/20/74/08/609207408.db2.gz JJNJELFMVZDMCH-UHFFFAOYSA-N 1 0 379.468 1.976 20 0 GDADRO CC1CCC([NH+]2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824919349 609232120 /nfs/dbraw/zinc/23/21/20/609232120.db2.gz UGWXFEDTESQZCP-UYJHFMRCSA-N 1 0 384.484 1.623 20 0 GDADRO O=C(CC[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NCC(=O)c1ccccc1 ZINC000826407392 609296832 /nfs/dbraw/zinc/29/68/32/609296832.db2.gz LTGKYLPTVDSFQI-UHFFFAOYSA-N 1 0 390.447 1.835 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C1=CC[N@H+](C)CC1 ZINC000824470701 609314124 /nfs/dbraw/zinc/31/41/24/609314124.db2.gz KTUOCLISKCZVMY-KSSFIOAISA-N 1 0 381.484 1.602 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000825663809 609326290 /nfs/dbraw/zinc/32/62/90/609326290.db2.gz WSGYMBQPMJEYEF-NSHDSACASA-N 1 0 382.465 1.471 20 0 GDADRO CCc1nncn1CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825771600 609341261 /nfs/dbraw/zinc/34/12/61/609341261.db2.gz MXKHIXDMJQAONN-UHFFFAOYSA-N 1 0 378.444 1.211 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824553243 609347325 /nfs/dbraw/zinc/34/73/25/609347325.db2.gz ANYOYEYXMHNSDQ-JRPNMDOOSA-N 1 0 382.465 1.326 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@H]1C ZINC000824708097 609360759 /nfs/dbraw/zinc/36/07/59/609360759.db2.gz XALBXQQEVRUCDG-VXGBXAGGSA-N 1 0 395.305 1.516 20 0 GDADRO Cc1nnc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(-c2nn[nH]n2)c1C ZINC000826336843 609387737 /nfs/dbraw/zinc/38/77/37/609387737.db2.gz QEZAZBLMXPCNNJ-INIZCTEOSA-N 1 0 380.456 1.452 20 0 GDADRO COCC[NH+]1CCC(N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000826159605 609417148 /nfs/dbraw/zinc/41/71/48/609417148.db2.gz LFWZKADZERGAPO-GOSISDBHSA-N 1 0 399.499 1.063 20 0 GDADRO COc1ccccc1[C@@H](CO)[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826219225 609427473 /nfs/dbraw/zinc/42/74/73/609427473.db2.gz WEPZEANXHFXEOX-MRXNPFEDSA-N 1 0 382.424 1.527 20 0 GDADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)c2)CC1 ZINC000826390010 609440084 /nfs/dbraw/zinc/44/00/84/609440084.db2.gz NZOQJJXLASJFCO-UHFFFAOYSA-N 1 0 394.439 1.144 20 0 GDADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826456492 609447141 /nfs/dbraw/zinc/44/71/41/609447141.db2.gz HJHQWNOVDOILKI-UHFFFAOYSA-N 1 0 392.467 1.979 20 0 GDADRO C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824516975 609455983 /nfs/dbraw/zinc/45/59/83/609455983.db2.gz ZHUPHZSUERJDNJ-WMLDXEAASA-N 1 0 377.452 1.902 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCCN1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000530841629 649981822 /nfs/dbraw/zinc/98/18/22/649981822.db2.gz WCMCRFSFSYGPPI-OAHLLOKOSA-N 1 0 388.921 1.277 20 0 GDADRO Cc1c(Cl)cnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1-c1nn[nH]n1 ZINC000826237671 609530317 /nfs/dbraw/zinc/53/03/17/609530317.db2.gz ICRQTVYCGUNUCM-CYBMUJFWSA-N 1 0 377.880 1.915 20 0 GDADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826489842 609539254 /nfs/dbraw/zinc/53/92/54/609539254.db2.gz BHPBDNNKMLUFRX-JTQLQIEISA-N 1 0 382.877 1.283 20 0 GDADRO C[N@H+](CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)C1CCCC1 ZINC000825941418 609545501 /nfs/dbraw/zinc/54/55/01/609545501.db2.gz HZTWULDHMVEASZ-UHFFFAOYSA-N 1 0 384.893 1.673 20 0 GDADRO Cc1ccnc(N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1-c1nn[nH]n1 ZINC000826312145 609547784 /nfs/dbraw/zinc/54/77/84/609547784.db2.gz WTROEKGSOTYKQN-KRWDZBQOSA-N 1 0 378.484 1.971 20 0 GDADRO O=C(CC[N@H+]1CCSC[C@@H]1CO)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000826407125 609603570 /nfs/dbraw/zinc/60/35/70/609603570.db2.gz BXTZBYCXNOJNPH-JTQLQIEISA-N 1 0 394.526 1.155 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000531681800 649994750 /nfs/dbraw/zinc/99/47/50/649994750.db2.gz PETSEVVHNLYQRP-CYBMUJFWSA-N 1 0 377.532 1.380 20 0 GDADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000533359634 650049258 /nfs/dbraw/zinc/04/92/58/650049258.db2.gz WDDZGVPPROXNTI-HNNXBMFYSA-N 1 0 376.567 1.514 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)ccc1Br ZINC000533814788 650214240 /nfs/dbraw/zinc/21/42/40/650214240.db2.gz LWLZIGLUEBBAGV-UHFFFAOYSA-N 1 0 377.242 1.741 20 0 GDADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000536740691 650279553 /nfs/dbraw/zinc/27/95/53/650279553.db2.gz JREJKOBURNIPAD-CYBMUJFWSA-N 1 0 389.905 1.691 20 0 GDADRO COC(=O)C1(O)CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000537685742 650298823 /nfs/dbraw/zinc/29/88/23/650298823.db2.gz SMIHBIZLKKJYGD-ZDUSSCGKSA-N 1 0 388.258 1.189 20 0 GDADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CCSC1 ZINC000537553829 650294756 /nfs/dbraw/zinc/29/47/56/650294756.db2.gz BTSQOEXCFLDLRY-ZDUSSCGKSA-N 1 0 399.460 1.738 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)nc1 ZINC000538830171 650323731 /nfs/dbraw/zinc/32/37/31/650323731.db2.gz MJLARJYQZHOFQR-CQSZACIVSA-N 1 0 380.495 1.357 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc(NS(C)(=O)=O)c1 ZINC000539039603 650327496 /nfs/dbraw/zinc/32/74/96/650327496.db2.gz HMQOXAFYFRSQQP-SWLSCSKDSA-N 1 0 375.516 1.133 20 0 GDADRO COc1cc(C[NH2+][C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)ccc1SC ZINC000539504841 650336239 /nfs/dbraw/zinc/33/62/39/650336239.db2.gz SCOBEMUJYNYCMU-TZMCWYRMSA-N 1 0 386.539 1.446 20 0 GDADRO COCCCN(C(=O)NCCC[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000540281896 650354959 /nfs/dbraw/zinc/35/49/59/650354959.db2.gz QEODCKUTHVCHNM-INIZCTEOSA-N 1 0 375.535 1.098 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCOCC1 ZINC000540459811 650358730 /nfs/dbraw/zinc/35/87/30/650358730.db2.gz ZUTWVRDTVNPGRP-JTQLQIEISA-N 1 0 375.878 1.331 20 0 GDADRO CS[C@@H]1CN(CC(=O)Nc2ccnn2Cc2cccs2)C[C@H]1[NH+](C)C ZINC000540591759 650364130 /nfs/dbraw/zinc/36/41/30/650364130.db2.gz ZCDJYOSUNZEJNN-HUUCEWRRSA-N 1 0 379.555 1.909 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000541034555 650376494 /nfs/dbraw/zinc/37/64/94/650376494.db2.gz CPEJNCYICLALKZ-BBRMVZONSA-N 1 0 399.333 1.418 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000541310001 650381463 /nfs/dbraw/zinc/38/14/63/650381463.db2.gz KJSIJDKQVGJRHQ-KBPBESRZSA-N 1 0 380.482 1.997 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000541763506 650390001 /nfs/dbraw/zinc/39/00/01/650390001.db2.gz OKNOHGLZZLPVLX-UHFFFAOYSA-N 1 0 389.543 1.091 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CC1 ZINC000542074971 650398608 /nfs/dbraw/zinc/39/86/08/650398608.db2.gz KSXAFMCLMFEOIP-CYBMUJFWSA-N 1 0 382.258 1.850 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCN(CCOC)C2)s1 ZINC000544353476 650438622 /nfs/dbraw/zinc/43/86/22/650438622.db2.gz LLHAQPQLQOLHKQ-OAHLLOKOSA-N 1 0 389.587 1.631 20 0 GDADRO CCS(=O)(=O)N1CCC(CNC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000544628940 650442131 /nfs/dbraw/zinc/44/21/31/650442131.db2.gz YKTIMJXQVJIKDT-UHFFFAOYSA-N 1 0 376.567 1.466 20 0 GDADRO CN1CC[NH+](CC2(C)CCN(C(=O)Cn3cc(Br)cn3)CC2)CC1 ZINC000544582441 650441321 /nfs/dbraw/zinc/44/13/21/650441321.db2.gz AOEYNXMEHHBOGN-UHFFFAOYSA-N 1 0 398.349 1.522 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000545863435 650462793 /nfs/dbraw/zinc/46/27/93/650462793.db2.gz FTBAMIJTGBDNQI-ZDUSSCGKSA-N 1 0 378.185 1.227 20 0 GDADRO COc1cc(Br)c(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000545869494 650463191 /nfs/dbraw/zinc/46/31/91/650463191.db2.gz HZPCAQDUEJTACS-OAHLLOKOSA-N 1 0 388.262 1.654 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000545867340 650463315 /nfs/dbraw/zinc/46/33/15/650463315.db2.gz PMVRUWXRCBRBIO-OAHLLOKOSA-N 1 0 387.914 1.808 20 0 GDADRO CC(=O)N[C@H](CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000545881812 650464051 /nfs/dbraw/zinc/46/40/51/650464051.db2.gz OTPLUXGETQHMHJ-WBVHZDCISA-N 1 0 398.301 1.199 20 0 GDADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545881928 650464201 /nfs/dbraw/zinc/46/42/01/650464201.db2.gz CJFSOKQOCFCQLF-KRWDZBQOSA-N 1 0 398.301 1.694 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000546568873 650478853 /nfs/dbraw/zinc/47/88/53/650478853.db2.gz CEJGBNXFJNHJRQ-KRWDZBQOSA-N 1 0 393.285 1.740 20 0 GDADRO C[NH+](C)CCOc1cc(CNc2ncc(I)cn2)ccn1 ZINC000546621893 650481688 /nfs/dbraw/zinc/48/16/88/650481688.db2.gz LROFBVIXQJYUKU-UHFFFAOYSA-N 1 0 399.236 2.029 20 0 GDADRO C[C@H]1C[NH+](CCCCNc2ncc(I)cn2)C[C@H](C)O1 ZINC000547328918 650495393 /nfs/dbraw/zinc/49/53/93/650495393.db2.gz OBWYTBIIZXJENE-RYUDHWBXSA-N 1 0 390.269 2.383 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncc(I)cn2)C1 ZINC000547328799 650495403 /nfs/dbraw/zinc/49/54/03/650495403.db2.gz ZVCFHNALOAHHMK-LBPRGKRZSA-N 1 0 376.242 1.850 20 0 GDADRO CN(C(=O)CNC(=O)c1ccc(Br)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000547459313 650498590 /nfs/dbraw/zinc/49/85/90/650498590.db2.gz DRLJVNHJGAQUAX-HNNXBMFYSA-N 1 0 380.286 1.732 20 0 GDADRO COC[C@@](C)(O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000547827722 650517106 /nfs/dbraw/zinc/51/71/06/650517106.db2.gz XGJCSYKGEMGATG-OCCSQVGLSA-N 1 0 378.288 1.655 20 0 GDADRO Cc1n[nH]c(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)n1 ZINC000548158005 650533224 /nfs/dbraw/zinc/53/32/24/650533224.db2.gz HHBKINJYEHIMRW-GFCCVEGCSA-N 1 0 385.287 1.926 20 0 GDADRO O=c1cc(C[N@H+]2CCC[C@H](OCCO)C2)nc2ccc(Br)cn12 ZINC000548405783 650545029 /nfs/dbraw/zinc/54/50/29/650545029.db2.gz XVPOMQAMKGLIRE-AWEZNQCLSA-N 1 0 382.258 1.430 20 0 GDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000549611369 650579675 /nfs/dbraw/zinc/57/96/75/650579675.db2.gz MGEBQBNIUCCMTG-QMMMGPOBSA-N 1 0 378.654 1.080 20 0 GDADRO CNC(=O)COc1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000552090956 650619101 /nfs/dbraw/zinc/61/91/01/650619101.db2.gz YLLUWSWNABYFIU-GFCCVEGCSA-N 1 0 381.274 1.949 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCS(=O)(=O)[C@H]3C)CC2)cc1 ZINC000552083222 650619138 /nfs/dbraw/zinc/61/91/38/650619138.db2.gz XAJXFZZFCILPGV-YOEHRIQHSA-N 1 0 386.539 1.313 20 0 GDADRO O=S(=O)(NCCC[NH2+][C@@H]1CCCOC1)c1ccccc1Br ZINC000552324645 650623279 /nfs/dbraw/zinc/62/32/79/650623279.db2.gz DYBNYJGDYLLPTJ-GFCCVEGCSA-N 1 0 377.304 1.886 20 0 GDADRO C[NH+](C)CCCN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000552342184 650623855 /nfs/dbraw/zinc/62/38/55/650623855.db2.gz GAXUYULYQZEGHL-MGPQQGTHSA-N 1 0 384.464 1.932 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3ccc(Br)cc3C2)CC1=O ZINC000552691970 650631360 /nfs/dbraw/zinc/63/13/60/650631360.db2.gz CIYQBHWLNOCVSX-HNNXBMFYSA-N 1 0 394.313 1.744 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000552971720 650635762 /nfs/dbraw/zinc/63/57/62/650635762.db2.gz NQVZYWQFAVLTFB-UHFFFAOYSA-N 1 0 398.301 1.028 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCC(F)(F)F ZINC000553827766 650659161 /nfs/dbraw/zinc/65/91/61/650659161.db2.gz UZCNZCOSQHPSND-QWRGUYRKSA-N 1 0 381.420 1.655 20 0 GDADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)CC2CCS(=O)(=O)CC2)cc1F ZINC000553872662 650662193 /nfs/dbraw/zinc/66/21/93/650662193.db2.gz QYGFIRGOTRTEJN-UHFFFAOYSA-N 1 0 392.518 1.132 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000554004586 650666178 /nfs/dbraw/zinc/66/61/78/650666178.db2.gz OVNDCPQHGDGVSX-ZDUSSCGKSA-N 1 0 390.937 1.566 20 0 GDADRO Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)CC2 ZINC000554591846 650678236 /nfs/dbraw/zinc/67/82/36/650678236.db2.gz VSHUNIWYXZYGCI-KGLIPLIRSA-N 1 0 381.274 1.693 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000554957212 650684002 /nfs/dbraw/zinc/68/40/02/650684002.db2.gz BLLQUUNPXPGMSJ-UHFFFAOYSA-N 1 0 386.290 1.931 20 0 GDADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000555463411 650691493 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O=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000557199037 650720807 /nfs/dbraw/zinc/72/08/07/650720807.db2.gz KZMSHRXFORMALQ-KGLIPLIRSA-N 1 0 386.543 1.058 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CCSC1 ZINC000559657650 650735149 /nfs/dbraw/zinc/73/51/49/650735149.db2.gz JLOULIYAPNGCBI-ZDUSSCGKSA-N 1 0 396.460 1.740 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCCOc2cccc(Cl)c2Cl)CC1 ZINC000563620384 650737198 /nfs/dbraw/zinc/73/71/98/650737198.db2.gz RHBTYSGDTISEKU-UHFFFAOYSA-N 1 0 388.295 1.946 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@H]1c1ccc(Br)cc1 ZINC000563717694 650738124 /nfs/dbraw/zinc/73/81/24/650738124.db2.gz NFANVXGVGTXKGC-PMOUVXMZSA-N 1 0 381.270 1.901 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CCN2C1=O ZINC000563898782 650742757 /nfs/dbraw/zinc/74/27/57/650742757.db2.gz LOZLBIKHTZRPKT-STQMWFEESA-N 1 0 376.869 1.848 20 0 GDADRO C[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc(Br)s1 ZINC000563956692 650744958 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1.302 20 0 GDADRO Cn1ncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1Br ZINC000273633309 645167821 /nfs/dbraw/zinc/16/78/21/645167821.db2.gz QSIXIHLZMZFKEZ-ZIAGYGMSSA-N 1 0 385.306 1.680 20 0 GDADRO O=S1(=O)CCC([NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000291180437 645198494 /nfs/dbraw/zinc/19/84/94/645198494.db2.gz OCXUZYLMYIZBNF-ZDUSSCGKSA-N 1 0 381.416 1.903 20 0 GDADRO C[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])Oc1cccc(Br)c1 ZINC000569203131 650988377 /nfs/dbraw/zinc/98/83/77/650988377.db2.gz PGAAHFSZAXCXDH-OCCSQVGLSA-N 1 0 385.306 1.501 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2cscn2)CC1 ZINC000569216910 650989169 /nfs/dbraw/zinc/98/91/69/650989169.db2.gz DSHGGSFHWZXLSB-UHFFFAOYSA-N 1 0 386.543 1.146 20 0 GDADRO CC[C@H](CO)[N@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000295682350 645212652 /nfs/dbraw/zinc/21/26/52/645212652.db2.gz KNEPLOMPBQRNGW-CYBMUJFWSA-N 1 0 375.300 1.740 20 0 GDADRO C[N@H+](C[C@@H](O)COC1CCOCC1)C[C@@H](O)c1cccc(Br)c1 ZINC000298063771 645221427 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GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000422515957 646073339 /nfs/dbraw/zinc/07/33/39/646073339.db2.gz IWPKBTVFNQYDOF-CJNGLKHVSA-N 1 0 394.313 1.926 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000422521343 646074953 /nfs/dbraw/zinc/07/49/53/646074953.db2.gz SHFOSDDGDISBDI-UHFFFAOYSA-N 1 0 376.682 1.739 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC(C)(C)CC[NH3+])c1 ZINC000422549699 646077570 /nfs/dbraw/zinc/07/75/70/646077570.db2.gz HEPWMVGKDKXONT-UHFFFAOYSA-N 1 0 377.532 1.123 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422702487 646096252 /nfs/dbraw/zinc/09/62/52/646096252.db2.gz FHNQANRPWDDBDU-IVMMDQJWSA-N 1 0 382.302 1.911 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000422933887 646101347 /nfs/dbraw/zinc/10/13/47/646101347.db2.gz ISDXCZFRJRFVCD-MFKMUULPSA-N 1 0 379.404 1.854 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000422998800 646106811 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389.905 1.423 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1cc(F)cc(F)c1 ZINC000510784114 648342000 /nfs/dbraw/zinc/34/20/00/648342000.db2.gz UJRBOABBILORBZ-CABCVRRESA-N 1 0 375.441 1.031 20 0 GDADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000510799826 648342536 /nfs/dbraw/zinc/34/25/36/648342536.db2.gz URXKQOSCJKVFJZ-APHBMKBZSA-N 1 0 387.933 1.967 20 0 GDADRO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000511226552 648360517 /nfs/dbraw/zinc/36/05/17/648360517.db2.gz BDKFHDBDNRZOLV-INIZCTEOSA-N 1 0 376.567 1.564 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000511260975 648364062 /nfs/dbraw/zinc/36/40/62/648364062.db2.gz NOWXXCZEZNFIEK-UKRRQHHQSA-N 1 0 380.432 1.930 20 0 GDADRO C[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)NCc2ccco2)CC1 ZINC000511500137 648379966 /nfs/dbraw/zinc/37/99/66/648379966.db2.gz WHVIWERUGCGQCI-UHFFFAOYSA-N 1 0 383.495 1.644 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 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CYNMSWXSHWZZJF-SWLSCSKDSA-N 1 0 387.933 1.993 20 0 GDADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(Cc3ccc(Cl)s3)CC2)C[C@@H](C)O1 ZINC000513515325 648433865 /nfs/dbraw/zinc/43/38/65/648433865.db2.gz NXTVNHFBDIFUMO-OAGGEKHMSA-N 1 0 387.977 1.989 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3ncnc4sccc43)CC2)C1 ZINC000514075065 648449049 /nfs/dbraw/zinc/44/90/49/648449049.db2.gz ZJFFSROGSIJECN-ZDUSSCGKSA-N 1 0 381.527 1.095 20 0 GDADRO O=C(Cc1cccc(Br)c1)CN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000514599693 648454541 /nfs/dbraw/zinc/45/45/41/648454541.db2.gz JGIIHLLFOYVTRB-UHFFFAOYSA-N 1 0 380.242 1.235 20 0 GDADRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)C(=O)NCC[NH+](C)C ZINC000514614644 648455501 /nfs/dbraw/zinc/45/55/01/648455501.db2.gz NOHPRJKDPOAYIG-TUKIKUTGSA-N 1 0 382.302 1.735 20 0 GDADRO CCC[N@H+](C)[C@H](CNC(=O)CCNS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000514665006 648458177 /nfs/dbraw/zinc/45/81/77/648458177.db2.gz QOZFEPFKNOCIRX-OAHLLOKOSA-N 1 0 375.922 1.778 20 0 GDADRO 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1.946 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000578879887 651821771 /nfs/dbraw/zinc/82/17/71/651821771.db2.gz RZHPZPYWMSKEHZ-OAHLLOKOSA-N 1 0 378.274 1.268 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C(F)F ZINC000578891063 651822623 /nfs/dbraw/zinc/82/26/23/651822623.db2.gz ZVJYBBJYJICUII-MWLCHTKSSA-N 1 0 390.228 1.901 20 0 GDADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cc2N1 ZINC000578987557 651830219 /nfs/dbraw/zinc/83/02/19/651830219.db2.gz FTXXGSZEIVNQOE-QGZVFWFLSA-N 1 0 383.901 1.989 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(F)F ZINC000579229450 651843105 /nfs/dbraw/zinc/84/31/05/651843105.db2.gz AEUFOJLZPKCZCQ-MNOVXSKESA-N 1 0 381.470 1.390 20 0 GDADRO Cn1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(-c2ccc(Cl)s2)n1 ZINC000579259407 651847173 /nfs/dbraw/zinc/84/71/73/651847173.db2.gz UHNSHPGEFJPIOC-ONGXEEELSA-N 1 0 379.873 1.186 20 0 GDADRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000579571633 651868534 /nfs/dbraw/zinc/86/85/34/651868534.db2.gz KSAHDSLVYDQOAA-JSGCOSHPSA-N 1 0 375.441 1.454 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000579594512 651870608 /nfs/dbraw/zinc/87/06/08/651870608.db2.gz SEVLNAVIEDXHGB-PWSUYJOCSA-N 1 0 376.201 1.431 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c(OC)cc1Br ZINC000579934581 651886500 /nfs/dbraw/zinc/88/65/00/651886500.db2.gz KWTVXLIOUOXHNW-SNVBAGLBSA-N 1 0 393.303 1.887 20 0 GDADRO C[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000579942465 651886852 /nfs/dbraw/zinc/88/68/52/651886852.db2.gz BDKJHDNDEPNGOA-JTQLQIEISA-N 1 0 396.285 1.877 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000579957875 651888694 /nfs/dbraw/zinc/88/86/94/651888694.db2.gz XHTFAANAYCDILL-WDEREUQCSA-N 1 0 395.319 1.878 20 0 GDADRO COC[C@]1(CNC(=O)Cc2ccc(I)cc2)CCC[NH2+]1 ZINC000580184069 651902235 /nfs/dbraw/zinc/90/22/35/651902235.db2.gz YOBDUZNKLODNDX-OAHLLOKOSA-N 1 0 388.249 1.719 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3cccc(S(C)(=O)=O)c3)C2)C1 ZINC000580278552 651908765 /nfs/dbraw/zinc/90/87/65/651908765.db2.gz JZAHBSNPIOFLRB-KRWDZBQOSA-N 1 0 386.539 1.338 20 0 GDADRO CO[C@H](CC(C)C)CS(=O)(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000580299972 651910317 /nfs/dbraw/zinc/91/03/17/651910317.db2.gz SBSORWCZZHYFCI-ZWKOTPCHSA-N 1 0 375.579 1.478 20 0 GDADRO OCC[C@]1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCOC1 ZINC000580327761 651912904 /nfs/dbraw/zinc/91/29/04/651912904.db2.gz URKRQCPLYUBOFD-GDBMZVCRSA-N 1 0 392.265 1.707 20 0 GDADRO OCC[C@@]1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCOC1 ZINC000580327766 651912917 /nfs/dbraw/zinc/91/29/17/651912917.db2.gz URKRQCPLYUBOFD-ZBFHGGJFSA-N 1 0 392.265 1.707 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2C=CCCC2)c(C)c[nH+]1 ZINC000580329195 651913254 /nfs/dbraw/zinc/91/32/54/651913254.db2.gz OOPQCBPXUYRBNH-HNNXBMFYSA-N 1 0 387.527 1.280 20 0 GDADRO COC1(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CC[NH2+]CC1 ZINC000580432375 651915845 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20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])ncc1I ZINC000580892357 651946029 /nfs/dbraw/zinc/94/60/29/651946029.db2.gz GIKVZTCVGSKHIV-BDAKNGLRSA-N 1 0 390.225 1.175 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000581069281 651958102 /nfs/dbraw/zinc/95/81/02/651958102.db2.gz NVIYDFLQVKNJDB-VGPLMAKISA-N 1 0 381.270 1.889 20 0 GDADRO Cc1nc(N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)ccc1Br ZINC000581164512 651962800 /nfs/dbraw/zinc/96/28/00/651962800.db2.gz QFSWSTHJNLURTB-GFCCVEGCSA-N 1 0 393.289 1.941 20 0 GDADRO O=C(C[C@@H]1COCC[NH2+]1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000581245171 651966628 /nfs/dbraw/zinc/96/66/28/651966628.db2.gz ALUHKTXOSKCFAD-OAHLLOKOSA-N 1 0 383.286 1.950 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCOc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000581300480 651970309 /nfs/dbraw/zinc/97/03/09/651970309.db2.gz DILHOHJWPLRZAI-NEPJUHHUSA-N 1 0 388.295 1.993 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cccs1 ZINC000581310640 651971283 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GDADRO CN(C)c1ncc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)n1C ZINC000582355231 651990407 /nfs/dbraw/zinc/99/04/07/651990407.db2.gz BLUHUJBAFFVVCA-CQSZACIVSA-N 1 0 383.290 1.778 20 0 GDADRO CN(C)c1ncc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)n1C ZINC000582355230 651990463 /nfs/dbraw/zinc/99/04/63/651990463.db2.gz BLUHUJBAFFVVCA-AWEZNQCLSA-N 1 0 383.290 1.778 20 0 GDADRO Cc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1I ZINC000582545882 652003758 /nfs/dbraw/zinc/00/37/58/652003758.db2.gz MHTXSILWPZEAJE-WDEREUQCSA-N 1 0 394.278 1.971 20 0 GDADRO CO[C@@H](C[NH3+])C(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000582604578 652006277 /nfs/dbraw/zinc/00/62/77/652006277.db2.gz ORNMSDXEAMQDPF-ZDUSSCGKSA-N 1 0 383.246 1.217 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000582724669 652010895 /nfs/dbraw/zinc/01/08/95/652010895.db2.gz CGDMLKJGDBWXLT-KRWDZBQOSA-N 1 0 382.507 1.849 20 0 GDADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000583202596 652030044 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[NH3+]C[C@@H](NC(=O)COc1cccc(I)c1)C(F)(F)F ZINC000594451154 652287766 /nfs/dbraw/zinc/28/77/66/652287766.db2.gz MXBQIIFGDDNCIM-SECBINFHSA-N 1 0 388.127 1.676 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1F ZINC000594463427 652294426 /nfs/dbraw/zinc/29/44/26/652294426.db2.gz YELWBBAALDDYAZ-MRXNPFEDSA-N 1 0 390.864 1.982 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)ccc1Cl ZINC000594532310 652311270 /nfs/dbraw/zinc/31/12/70/652311270.db2.gz NAGZGFYJQVSDLE-JTQLQIEISA-N 1 0 381.738 1.461 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCc3ccc(Br)cc3F)CCN2C1=O ZINC000594878679 652384970 /nfs/dbraw/zinc/38/49/70/652384970.db2.gz CDLAAWFOQSATII-OCCSQVGLSA-N 1 0 384.249 1.291 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Cc3c(Cl)cccc3Br)CCN2C1=O ZINC000594879752 652385352 /nfs/dbraw/zinc/38/53/52/652385352.db2.gz OLJCPIJPNQGXHO-RNCFNFMXSA-N 1 0 386.677 1.415 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000595109076 652392721 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20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000596676474 652443463 /nfs/dbraw/zinc/44/34/63/652443463.db2.gz PEHGTKGMSKEMJS-UHFFFAOYSA-N 1 0 391.287 1.693 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000599110805 652479257 /nfs/dbraw/zinc/47/92/57/652479257.db2.gz AJFLLGGJVREKAD-TVQRCGJNSA-N 1 0 391.287 1.655 20 0 GDADRO O[C@@H]1CC[N@H+](CCNc2ncnc3cccc(I)c32)C1 ZINC000599176273 652479887 /nfs/dbraw/zinc/47/98/87/652479887.db2.gz OWSMASZTZWHFTO-SNVBAGLBSA-N 1 0 384.221 1.713 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1F ZINC000599269143 652482377 /nfs/dbraw/zinc/48/23/77/652482377.db2.gz NBCAUSZERHNJET-NEPJUHHUSA-N 1 0 394.465 1.418 20 0 GDADRO CC(C)(C)OC(=O)C1CCC(O)(C[NH+]2CCC(S(N)(=O)=O)CC2)CC1 ZINC000599345615 652485473 /nfs/dbraw/zinc/48/54/73/652485473.db2.gz COHGNHAJPQWJHR-UHFFFAOYSA-N 1 0 376.519 1.002 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1Br ZINC000599896711 652517327 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C[S@@](=O)C1(C(=O)NCCCc2cccc(Br)c2)CC[NH2+]CC1 ZINC000602456870 652637649 /nfs/dbraw/zinc/63/76/49/652637649.db2.gz ZRVJVBAMGJQHSQ-JOCHJYFZSA-N 1 0 387.343 1.999 20 0 GDADRO COC(=O)CC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)C[C@@H]1CCCO1 ZINC000602474475 652638941 /nfs/dbraw/zinc/63/89/41/652638941.db2.gz PKBCXEMKMOLVMT-ZDUSSCGKSA-N 1 0 390.889 1.532 20 0 GDADRO C[NH2+]CCOCCNC(=O)c1cc(F)c(F)cc1I ZINC000602567005 652641820 /nfs/dbraw/zinc/64/18/20/652641820.db2.gz SNPSXNWEBHVAKS-UHFFFAOYSA-N 1 0 384.164 1.535 20 0 GDADRO CC(C)[NH+](CCNC(=O)c1nn(C)cc1I)C(C)C ZINC000602768492 652645945 /nfs/dbraw/zinc/64/59/45/652645945.db2.gz WATUJBGFOHKBEZ-UHFFFAOYSA-N 1 0 378.258 1.873 20 0 GDADRO CC1CC[NH+](CCNC(=O)c2nn(C)cc2I)CC1 ZINC000602787232 652646602 /nfs/dbraw/zinc/64/66/02/652646602.db2.gz JKAQKGPAHRMVNG-UHFFFAOYSA-N 1 0 376.242 1.486 20 0 GDADRO Cn1cc(I)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000602893025 652653290 /nfs/dbraw/zinc/65/32/90/652653290.db2.gz OHBFQMOXZLVPRY-NSHDSACASA-N 1 0 388.253 1.583 20 0 GDADRO CSC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000602922554 652656076 /nfs/dbraw/zinc/65/60/76/652656076.db2.gz IQJCOAIDJPREML-QWHCGFSZSA-N 1 0 385.555 1.727 20 0 GDADRO Cn1cc(I)c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000603017896 652669213 /nfs/dbraw/zinc/66/92/13/652669213.db2.gz KJGLSQIOMJLVSF-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO CN(CCOc1ccc(Cl)cc1)C(=O)Cn1cc(CSCC[NH3+])nn1 ZINC000603184140 652684383 /nfs/dbraw/zinc/68/43/83/652684383.db2.gz WFXMEJOHHBHDMG-UHFFFAOYSA-N 1 0 383.905 1.661 20 0 GDADRO CCOC(=O)c1nc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1Br ZINC000603398671 652710912 /nfs/dbraw/zinc/71/09/12/652710912.db2.gz KXOCSXHUIZEEGN-RYUDHWBXSA-N 1 0 386.290 1.912 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ncc(I)s1 ZINC000603433847 652718995 /nfs/dbraw/zinc/71/89/95/652718995.db2.gz BWRCHNNFFYUELL-VIFPVBQESA-N 1 0 395.266 1.588 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3n[nH]cc3Br)C2)CC1 ZINC000606511096 652775258 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CN(Cc1c(F)cccc1Cl)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631651320 653241961 /nfs/dbraw/zinc/24/19/61/653241961.db2.gz DCPUQADHQLAZAM-UHFFFAOYSA-N 1 0 377.913 1.878 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@H](O)C(F)F)CC2)cc1 ZINC000631704324 653245019 /nfs/dbraw/zinc/24/50/19/653245019.db2.gz WLGJVSITROXTAW-HNNXBMFYSA-N 1 0 378.441 1.454 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000631713314 653245725 /nfs/dbraw/zinc/24/57/25/653245725.db2.gz ZJVDQDPIJHJXBV-ZDUSSCGKSA-N 1 0 375.922 1.606 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)C1CCS(=O)(=O)CC1 ZINC000631744823 653249271 /nfs/dbraw/zinc/24/92/71/653249271.db2.gz ZJCMSNWFBZTVPE-DAXOMENPSA-N 1 0 378.560 1.182 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631851076 653260156 /nfs/dbraw/zinc/26/01/56/653260156.db2.gz NXBLJKKDUNMPGI-KBPBESRZSA-N 1 0 395.301 1.201 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CN1CCC([NH2+]CCO)CC1 ZINC000631865922 653262176 /nfs/dbraw/zinc/26/21/76/653262176.db2.gz JCXNVBVETWURCY-UHFFFAOYSA-N 1 0 384.318 1.454 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000631893855 653263237 /nfs/dbraw/zinc/26/32/37/653263237.db2.gz CRWAUJKYHMISIP-UHFFFAOYSA-N 1 0 375.441 1.004 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000631903744 653265549 /nfs/dbraw/zinc/26/55/49/653265549.db2.gz SUVJSHUWRZUOSE-JTQLQIEISA-N 1 0 388.291 1.078 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000631907112 653266441 /nfs/dbraw/zinc/26/64/41/653266441.db2.gz DNIIACLRVHAVFZ-LLVKDONJSA-N 1 0 387.374 1.604 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000631913055 653268147 /nfs/dbraw/zinc/26/81/47/653268147.db2.gz CSHQFCCVZLYYKM-QWHCGFSZSA-N 1 0 376.881 1.804 20 0 GDADRO CN(C)[C@@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)c1c(F)cccc1F ZINC000631920315 653270621 /nfs/dbraw/zinc/27/06/21/653270621.db2.gz XDNMMZRSIUJMBJ-HNNXBMFYSA-N 1 0 376.473 1.086 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000631926760 653272523 /nfs/dbraw/zinc/27/25/23/653272523.db2.gz HWITWOYRJSEAJH-NVXWUHKLSA-N 1 0 381.885 1.732 20 0 GDADRO CCOc1cccc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)c1OC(F)F ZINC000631926249 653272562 /nfs/dbraw/zinc/27/25/62/653272562.db2.gz RVMWZDBIXYPWRQ-LBPRGKRZSA-N 1 0 380.413 1.095 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000631928788 653273345 /nfs/dbraw/zinc/27/33/45/653273345.db2.gz NMTMDUNESXYSDI-IRXDYDNUSA-N 1 0 386.949 1.603 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC000631987864 653285678 /nfs/dbraw/zinc/28/56/78/653285678.db2.gz QVBMRCXRUAWBTH-DLBZAZTESA-N 1 0 375.579 1.385 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CCC[C@H]4C[NH2+]CC[C@H]43)cc2C1 ZINC000631993034 653286306 /nfs/dbraw/zinc/28/63/06/653286306.db2.gz JBROLBWHVRYNEQ-DZGCQCFKSA-N 1 0 383.539 1.415 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000632004656 653288538 /nfs/dbraw/zinc/28/85/38/653288538.db2.gz QMSWFDNUNLBDFY-ZDUSSCGKSA-N 1 0 384.420 1.316 20 0 GDADRO CN(Cc1cc2c(cc1OC(F)F)OCO2)S(=O)(=O)CCC[NH+](C)C ZINC000632025616 653291681 /nfs/dbraw/zinc/29/16/81/653291681.db2.gz NCTRXHMFNADHBP-UHFFFAOYSA-N 1 0 380.413 1.730 20 0 GDADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 ZINC000632070950 653300410 /nfs/dbraw/zinc/30/04/10/653300410.db2.gz OBLMKXOTDDYHAB-UHFFFAOYSA-N 1 0 384.424 1.550 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2c(F)cncc2Br)ccc1=O ZINC000632115470 653308368 /nfs/dbraw/zinc/30/83/68/653308368.db2.gz SVJNRKFQNDPEOV-UHFFFAOYSA-N 1 0 383.221 1.959 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000632276825 653327259 /nfs/dbraw/zinc/32/72/59/653327259.db2.gz XZBNDIXTTGJLKD-CQSZACIVSA-N 1 0 393.347 1.471 20 0 GDADRO CSc1cccc(F)c1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632328037 653336741 /nfs/dbraw/zinc/33/67/41/653336741.db2.gz NXDPVEBMFGZRBM-UHFFFAOYSA-N 1 0 375.535 1.605 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@@](C)(CO)c1ccc(Br)cc1 ZINC000632330439 653337613 /nfs/dbraw/zinc/33/76/13/653337613.db2.gz PFWISZLWUFGSMC-AWEZNQCLSA-N 1 0 379.320 1.528 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1 ZINC000632369336 653347727 /nfs/dbraw/zinc/34/77/27/653347727.db2.gz ODPMTTCWBMPVTJ-CZUORRHYSA-N 1 0 389.543 1.088 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1 ZINC000632369337 653347820 /nfs/dbraw/zinc/34/78/20/653347820.db2.gz ODPMTTCWBMPVTJ-XJKSGUPXSA-N 1 0 389.543 1.088 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[N@H+](CC)C[C@@H]1C ZINC000632450012 653359828 /nfs/dbraw/zinc/35/98/28/653359828.db2.gz QUDHDMWITHQQIL-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)CC2CCS(=O)(=O)CC2)CC1 ZINC000632639256 653390074 /nfs/dbraw/zinc/39/00/74/653390074.db2.gz RGXXWTGHRASUSY-UHFFFAOYSA-N 1 0 378.560 1.091 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000632889981 653413453 /nfs/dbraw/zinc/41/34/53/653413453.db2.gz AQUJTZQMDJZPHF-NRSFXHEJSA-N 1 0 390.325 1.841 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000632942587 653416157 /nfs/dbraw/zinc/41/61/57/653416157.db2.gz KMLRDUWAPMXPPV-MNOVXSKESA-N 1 0 384.278 1.634 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000632995775 653418419 /nfs/dbraw/zinc/41/84/19/653418419.db2.gz RVSMRQRGTGKXJB-AWEZNQCLSA-N 1 0 387.297 1.975 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000633040066 653423427 /nfs/dbraw/zinc/42/34/27/653423427.db2.gz WAZBELCWYFAJCO-PWSUYJOCSA-N 1 0 392.257 1.521 20 0 GDADRO O=C(c1ccc2cncc(Br)c2n1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000633069240 653425479 /nfs/dbraw/zinc/42/54/79/653425479.db2.gz JKGGHHGLWCWJSS-CHWSQXEVSA-N 1 0 391.269 1.673 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2F)C1 ZINC000633104940 653427569 /nfs/dbraw/zinc/42/75/69/653427569.db2.gz JGQDJUVGHPVRCF-QWRGUYRKSA-N 1 0 386.265 1.742 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000633107122 653427975 /nfs/dbraw/zinc/42/79/75/653427975.db2.gz RKCUPJBBZQUTJY-ABAIWWIYSA-N 1 0 398.276 1.757 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)C2 ZINC000633114212 653428914 /nfs/dbraw/zinc/42/89/14/653428914.db2.gz WBVPQZCZQDJDHZ-BLLLJJGKSA-N 1 0 394.313 1.838 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1c(Br)cnn1C ZINC000633171724 653430355 /nfs/dbraw/zinc/43/03/55/653430355.db2.gz DDUWACVPSXYVMV-LBPRGKRZSA-N 1 0 387.326 1.008 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(C)c(Br)c[nH]c3=O)[C@H]2C1 ZINC000633204853 653432586 /nfs/dbraw/zinc/43/25/86/653432586.db2.gz DQAIUYAYAVQUKV-QWHCGFSZSA-N 1 0 384.274 1.793 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc2cncc(Br)c2n1 ZINC000633256783 653435098 /nfs/dbraw/zinc/43/50/98/653435098.db2.gz PIIIBOWEYKVDBB-ZDUSSCGKSA-N 1 0 393.285 1.969 20 0 GDADRO Cn1cc(Br)c(CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000633279764 653435929 /nfs/dbraw/zinc/43/59/29/653435929.db2.gz AIZHCNRZKBSGHF-AWEZNQCLSA-N 1 0 378.274 1.869 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)CCc2cn[nH]n2)CC1 ZINC000633343992 653439352 /nfs/dbraw/zinc/43/93/52/653439352.db2.gz UTMRRCJHBZJWID-UHFFFAOYSA-N 1 0 394.277 1.285 20 0 GDADRO CN(C)S(=O)(=O)CC(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633768343 653469362 /nfs/dbraw/zinc/46/93/62/653469362.db2.gz ZSGXLWYSLWYMPK-ZDUSSCGKSA-N 1 0 381.420 1.316 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634749125 653498062 /nfs/dbraw/zinc/49/80/62/653498062.db2.gz GQIMPSSPNDUNCM-AFAVFJNCSA-N 1 0 385.917 1.465 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634767431 653498496 /nfs/dbraw/zinc/49/84/96/653498496.db2.gz WCWZFCMMPQRMBB-WMFXKJRFSA-N 1 0 386.315 1.887 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634766269 653498600 /nfs/dbraw/zinc/49/86/00/653498600.db2.gz ZEVLFMYFEXYJMA-DYVFJYSZSA-N 1 0 380.286 1.827 20 0 GDADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000635444130 653517413 /nfs/dbraw/zinc/51/74/13/653517413.db2.gz NISIIMKPJLCTJS-ZIAGYGMSSA-N 1 0 384.464 1.932 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636469117 653523483 /nfs/dbraw/zinc/52/34/83/653523483.db2.gz BAGPNXFBXUNISP-CYBMUJFWSA-N 1 0 399.289 1.062 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000637404754 653526881 /nfs/dbraw/zinc/52/68/81/653526881.db2.gz WIKZJJDDXCKTTM-CTYIDZIISA-N 1 0 397.317 1.786 20 0 GDADRO O=C(CN1CC[NH2+]CC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000637912582 653532025 /nfs/dbraw/zinc/53/20/25/653532025.db2.gz SNVVFOKSGSWLTQ-UHFFFAOYSA-N 1 0 385.295 1.183 20 0 GDADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000637968759 653533537 /nfs/dbraw/zinc/53/35/37/653533537.db2.gz RTNGKOPOVJAVCE-BLLLJJGKSA-N 1 0 384.274 1.579 20 0 GDADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)C1 ZINC000637968033 653533611 /nfs/dbraw/zinc/53/36/11/653533611.db2.gz KAIFTSSUVWFGEL-GUYCJALGSA-N 1 0 398.301 1.969 20 0 GDADRO [NH3+]C[C@]1(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CCCOC1 ZINC000637968992 653533806 /nfs/dbraw/zinc/53/38/06/653533806.db2.gz HVXUNYZGFBBYOW-QGZVFWFLSA-N 1 0 398.301 1.441 20 0 GDADRO O=C(CN1CC[NH2+]CC1)NCc1cc(Br)ccc1OC(F)F ZINC000637973060 653533951 /nfs/dbraw/zinc/53/39/51/653533951.db2.gz XZYDGYBIBHPEAW-UHFFFAOYSA-N 1 0 378.217 1.572 20 0 GDADRO NS(=O)(=O)c1ccc(C[N@H+](CCCCO)C2CC2)cc1Br ZINC000638076560 653535541 /nfs/dbraw/zinc/53/55/41/653535541.db2.gz RCOGAVNJLSLJHP-UHFFFAOYSA-N 1 0 377.304 1.833 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)c3cc(Br)c4nccn4c3)C[C@H]2[NH3+])cn1 ZINC000638366857 653539048 /nfs/dbraw/zinc/53/90/48/653539048.db2.gz QXJZVMJDVCTCTI-GXTWGEPZSA-N 1 0 389.257 1.397 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000638590277 653540892 /nfs/dbraw/zinc/54/08/92/653540892.db2.gz SYQGUSLXLVBHPE-UHFFFAOYSA-N 1 0 381.274 1.943 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000638589836 653540946 /nfs/dbraw/zinc/54/09/46/653540946.db2.gz ZKXHRAGINYJBIZ-CYBMUJFWSA-N 1 0 398.301 1.496 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000638591161 653540985 /nfs/dbraw/zinc/54/09/85/653540985.db2.gz BUCLRFBUDPLXHI-UHFFFAOYSA-N 1 0 381.274 1.943 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)CCn2cnc3ccc(Br)cc3c2=O)C[NH2+]1 ZINC000638656437 653542204 /nfs/dbraw/zinc/54/22/04/653542204.db2.gz ZGDGJEQLIBNUIM-AAEUAGOBSA-N 1 0 393.285 1.806 20 0 GDADRO O=C1C[C@@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCCN1 ZINC000638700710 653542382 /nfs/dbraw/zinc/54/23/82/653542382.db2.gz IZTBCVTZYKYCPT-AWEZNQCLSA-N 1 0 385.555 1.724 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000638765015 653542984 /nfs/dbraw/zinc/54/29/84/653542984.db2.gz IDDOIVKBSHBSRG-SMDDNHRTSA-N 1 0 389.315 1.870 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000638768592 653543060 /nfs/dbraw/zinc/54/30/60/653543060.db2.gz CAWIBOMATKWXLY-OIBJUYFYSA-N 1 0 379.251 1.472 20 0 GDADRO [NH3+][C@@H]1CCCCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000638821098 653543925 /nfs/dbraw/zinc/54/39/25/653543925.db2.gz NMOGCTUFKIQWSC-CYBMUJFWSA-N 1 0 393.285 1.889 20 0 GDADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000638828141 653544535 /nfs/dbraw/zinc/54/45/35/653544535.db2.gz RUNGSCLBLCMLNP-KGLIPLIRSA-N 1 0 377.268 1.570 20 0 GDADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000638828142 653544559 /nfs/dbraw/zinc/54/45/59/653544559.db2.gz RUNGSCLBLCMLNP-UONOGXRCSA-N 1 0 377.268 1.570 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000639031216 653544793 /nfs/dbraw/zinc/54/47/93/653544793.db2.gz PBUDTEFJLOVFQE-YUSALJHKSA-N 1 0 394.269 1.820 20 0 GDADRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCO1 ZINC000639241976 653548252 /nfs/dbraw/zinc/54/82/52/653548252.db2.gz KXEICHGRDLNLHX-TZMCWYRMSA-N 1 0 384.889 1.731 20 0 GDADRO O[C@@H]1CC[N@@H+](C2CCN(Cc3cnn4cc(Br)cnc34)CC2)C1 ZINC000639331524 653550235 /nfs/dbraw/zinc/55/02/35/653550235.db2.gz UJOCHWGRPYRVAZ-OAHLLOKOSA-N 1 0 380.290 1.523 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000639768018 653552707 /nfs/dbraw/zinc/55/27/07/653552707.db2.gz XEQWSLQJQPHKKN-WBVHZDCISA-N 1 0 387.318 1.577 20 0 GDADRO CN1CC(=O)N(CC[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)C1=O ZINC000639777823 653553807 /nfs/dbraw/zinc/55/38/07/653553807.db2.gz YBFHEYAYOBUVBY-GFCCVEGCSA-N 1 0 383.246 1.191 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1Br ZINC000640171381 653556837 /nfs/dbraw/zinc/55/68/37/653556837.db2.gz TYNXRUUEWPHSNQ-JTQLQIEISA-N 1 0 387.282 1.075 20 0 GDADRO COCCCNC(=O)[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640905403 653560603 /nfs/dbraw/zinc/56/06/03/653560603.db2.gz UIZQTCAZLQTHTP-ABAIWWIYSA-N 1 0 396.289 1.802 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)n1cc(C[C@H]([NH3+])CO)nn1 ZINC000640925423 653560721 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C[C@@H]([NH3+])CNC(=O)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000642800823 653579480 /nfs/dbraw/zinc/57/94/80/653579480.db2.gz SPEOYFRQRWOJDW-SECBINFHSA-N 1 0 377.794 1.970 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000642808415 653579484 /nfs/dbraw/zinc/57/94/84/653579484.db2.gz DZIJTLXNNLXKPI-NSHDSACASA-N 1 0 386.290 1.751 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642902485 653579579 /nfs/dbraw/zinc/57/95/79/653579579.db2.gz UBSDODGXVYSQST-CQSZACIVSA-N 1 0 398.301 1.545 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000643475595 653583053 /nfs/dbraw/zinc/58/30/53/653583053.db2.gz QWOLZYMGZUMDHS-UKRRQHHQSA-N 1 0 382.302 1.993 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC1 ZINC000643542254 653583406 /nfs/dbraw/zinc/58/34/06/653583406.db2.gz OHGYRUUBTVPYBV-UHFFFAOYSA-N 1 0 380.286 1.674 20 0 GDADRO Cc1cc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)ccc1S(N)(=O)=O ZINC000643601601 653583614 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O=S(=O)(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)c1ncccc1C(F)(F)F ZINC000645770662 653606570 /nfs/dbraw/zinc/60/65/70/653606570.db2.gz QBFQZJBXRWMLIE-RTXFEEFZSA-N 1 0 379.404 1.366 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000645835104 653607249 /nfs/dbraw/zinc/60/72/49/653607249.db2.gz HXELZAJCIMWHLM-JTQLQIEISA-N 1 0 380.297 1.734 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000646480713 653610350 /nfs/dbraw/zinc/61/03/50/653610350.db2.gz ZRRCGEVFCXRVIO-XHDPSFHLSA-N 1 0 393.285 1.710 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)c1cc2sc(N3CCCC3)nc2s1 ZINC000646575840 653611136 /nfs/dbraw/zinc/61/11/36/653611136.db2.gz ZJJGKEPXJNYJJI-UHFFFAOYSA-N 1 0 379.555 1.983 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000646916832 653616551 /nfs/dbraw/zinc/61/65/51/653616551.db2.gz RVGZJICVZXKTOY-RCBQFDQVSA-N 1 0 392.297 1.965 20 0 GDADRO CN(CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cn1 ZINC000647030994 653619044 /nfs/dbraw/zinc/61/90/44/653619044.db2.gz ZUQAITXQIMTAOI-LBPRGKRZSA-N 1 0 379.814 1.124 20 0 GDADRO C[C@@H](CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)n1cc(Br)cn1 ZINC000647096926 653620601 /nfs/dbraw/zinc/62/06/01/653620601.db2.gz WRGARYVWOAHTCS-LEWSCRJBSA-N 1 0 381.278 1.284 20 0 GDADRO [NH3+][C@@H]1CCCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000647180101 653622825 /nfs/dbraw/zinc/62/28/25/653622825.db2.gz FBYOQRPCIWRYJZ-HZPDHXFCSA-N 1 0 385.917 1.698 20 0 GDADRO O[C@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)Cn1ccnn1 ZINC000647217473 653623345 /nfs/dbraw/zinc/62/33/45/653623345.db2.gz RXVABICZATYHMW-SNVBAGLBSA-N 1 0 377.189 1.793 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000647235093 653624098 /nfs/dbraw/zinc/62/40/98/653624098.db2.gz LZJXRWNOBDRLKU-JOYOIKCWSA-N 1 0 379.276 1.194 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CCO1 ZINC000647235138 653624266 /nfs/dbraw/zinc/62/42/66/653624266.db2.gz OJLFWXBXIYYAOH-TVQRCGJNSA-N 1 0 397.722 1.980 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)CC[C@@H]1[NH3+] ZINC000647269537 653624843 /nfs/dbraw/zinc/62/48/43/653624843.db2.gz VMOGVVZDHIVUCS-RISCZKNCSA-N 1 0 393.506 1.335 20 0 GDADRO CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)N(C)C2C[NH2+]C2)cc1Cl ZINC000647299250 653625540 /nfs/dbraw/zinc/62/55/40/653625540.db2.gz PDGIEVVTNNNCPB-UHFFFAOYSA-N 1 0 396.296 1.053 20 0 GDADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)CCNS(=O)(=O)c1cccs1 ZINC000647634423 653631745 /nfs/dbraw/zinc/63/17/45/653631745.db2.gz XZXHHEGQZZCTRD-ZDUSSCGKSA-N 1 0 383.495 1.241 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000647776593 653634312 /nfs/dbraw/zinc/63/43/12/653634312.db2.gz MXCBWEMWJRBJCG-UHFFFAOYSA-N 1 0 392.301 1.612 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000648058158 653637922 /nfs/dbraw/zinc/63/79/22/653637922.db2.gz URNPONUPNIWHLA-RISCZKNCSA-N 1 0 375.441 1.359 20 0 GDADRO COc1ccc(Br)cc1C1(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000648191635 653640909 /nfs/dbraw/zinc/64/09/09/653640909.db2.gz SNVWUKHCFJQXIQ-ZDUSSCGKSA-N 1 0 396.285 1.431 20 0 GDADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648262885 653643134 /nfs/dbraw/zinc/64/31/34/653643134.db2.gz LLAYQVXKXJZOFL-INIZCTEOSA-N 1 0 383.539 1.516 20 0 GDADRO CC(C)n1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)nn1 ZINC000648860898 653658167 /nfs/dbraw/zinc/65/81/67/653658167.db2.gz TYQXQRCCZCHEGC-UHFFFAOYSA-N 1 0 381.278 2.465 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccsc1Br ZINC000648939697 653660954 /nfs/dbraw/zinc/66/09/54/653660954.db2.gz MBFDEXZGOYLORN-LBPRGKRZSA-N 1 0 388.331 1.647 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cn2ccc(Br)cc2n1 ZINC000649070901 653663161 /nfs/dbraw/zinc/66/31/61/653663161.db2.gz YJLVZBQNEVCTLL-LLVKDONJSA-N 1 0 394.273 1.289 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1ccc(Br)cc1O ZINC000649071640 653663461 /nfs/dbraw/zinc/66/34/61/653663461.db2.gz OIPDSDXSZWVWAV-LLVKDONJSA-N 1 0 384.274 1.276 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000649076771 653663950 /nfs/dbraw/zinc/66/39/50/653663950.db2.gz CXIVBIZMWHTFKV-SNVBAGLBSA-N 1 0 398.257 1.370 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CCO1 ZINC000649410435 653667190 /nfs/dbraw/zinc/66/71/90/653667190.db2.gz AUDXTSNNJPTBNG-LRDDRELGSA-N 1 0 381.523 1.762 20 0 GDADRO CC(C)O[C@H]1CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000649700656 653672329 /nfs/dbraw/zinc/67/23/29/653672329.db2.gz JFSDAVHQTXMXKU-INIZCTEOSA-N 1 0 377.551 1.052 20 0 GDADRO Cc1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(C)cc1Br ZINC000650306836 653691139 /nfs/dbraw/zinc/69/11/39/653691139.db2.gz CCTWEFDDLLVLMX-UHFFFAOYSA-N 1 0 382.302 1.912 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CC2(COC)CCC2)[C@H](C)C1 ZINC000651562678 653831294 /nfs/dbraw/zinc/83/12/94/653831294.db2.gz UCMBUHPOZPTJGO-SJORKVTESA-N 1 0 376.563 1.860 20 0 GDADRO CC[NH+](CC)CCN(C(=O)C[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000651581270 653834513 /nfs/dbraw/zinc/83/45/13/653834513.db2.gz MZFSBDFKYDNQGR-OLZOCXBDSA-N 1 0 388.452 1.311 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000651768862 653854826 /nfs/dbraw/zinc/85/48/26/653854826.db2.gz GECBOKQEUBXGTF-UHFFFAOYSA-N 1 0 376.544 1.736 20 0 GDADRO Cc1cc(Br)cn2c(CN3CCN(CC[NH+](C)C)C(=O)C3)cnc12 ZINC000651891248 653867398 /nfs/dbraw/zinc/86/73/98/653867398.db2.gz NPIAKMFCWOEAGA-UHFFFAOYSA-N 1 0 394.317 1.611 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3nscc3Br)CC2)C1=O ZINC000652161963 653882894 /nfs/dbraw/zinc/88/28/94/653882894.db2.gz APACSEHJUNYQQE-NSHDSACASA-N 1 0 387.303 1.331 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000652171416 653883758 /nfs/dbraw/zinc/88/37/58/653883758.db2.gz LZIVRXGBJSIZBK-BBRMVZONSA-N 1 0 386.543 1.105 20 0 GDADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCn1cc(Br)ccc1=O)C2 ZINC000652196060 653885015 /nfs/dbraw/zinc/88/50/15/653885015.db2.gz FSLJRLWTYIBOFQ-LRDDRELGSA-N 1 0 383.290 1.381 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350788 653888143 /nfs/dbraw/zinc/88/81/43/653888143.db2.gz IVKYTLJQQWRCLC-SJCJKPOMSA-N 1 0 385.917 1.743 20 0 GDADRO O=S(=O)(NCc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000652369178 653888721 /nfs/dbraw/zinc/88/87/21/653888721.db2.gz NXTDSEQBMZDUOH-UHFFFAOYSA-N 1 0 378.475 1.197 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652377422 653889759 /nfs/dbraw/zinc/88/97/59/653889759.db2.gz GVVSVSXFPVPZFZ-ZFWWWQNUSA-N 1 0 388.555 1.845 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C[C@H]1C[NH3+] ZINC000652636425 653894770 /nfs/dbraw/zinc/89/47/70/653894770.db2.gz IRYRJTMXSKDONZ-NOZJJQNGSA-N 1 0 390.267 1.763 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652692815 653897048 /nfs/dbraw/zinc/89/70/48/653897048.db2.gz DODKPWJAMNKMCS-LLVKDONJSA-N 1 0 398.301 1.880 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)CCOc2cccc(Br)c2)CC1=O ZINC000652736223 653897344 /nfs/dbraw/zinc/89/73/44/653897344.db2.gz BDXXZFWMCLUAAU-UHFFFAOYSA-N 1 0 398.301 1.450 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000653045885 653904373 /nfs/dbraw/zinc/90/43/73/653904373.db2.gz SZZLLFASWVCYRG-ZDUSSCGKSA-N 1 0 396.285 1.205 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116470 653906560 /nfs/dbraw/zinc/90/65/60/653906560.db2.gz IFJLWJGXNIBLAR-JDFRZJQESA-N 1 0 380.286 1.380 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000653112983 653906620 /nfs/dbraw/zinc/90/66/20/653906620.db2.gz OVXRRQSSDHNBLC-CJNGLKHVSA-N 1 0 383.334 1.671 20 0 GDADRO C[NH+](C)CCN1C(=O)C[C@@H](N2CCOc3cccc(Br)c3C2)C1=O ZINC000653473203 653913569 /nfs/dbraw/zinc/91/35/69/653913569.db2.gz TWRMAUJTYKOYNY-CQSZACIVSA-N 1 0 396.285 1.333 20 0 GDADRO O=C1[C@H](N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCN1c1cccc(Br)c1 ZINC000653829812 653924061 /nfs/dbraw/zinc/92/40/61/653924061.db2.gz ZBSJLDHGKLLWSK-ARFHVFGLSA-N 1 0 380.286 1.305 20 0 GDADRO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654907363 653950907 /nfs/dbraw/zinc/95/09/07/653950907.db2.gz DEFXHGJMJPBIPS-VHSXEESVSA-N 1 0 376.215 1.348 20 0 GDADRO CC1(C)CC[N@H+](CC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000655054282 653956505 /nfs/dbraw/zinc/95/65/05/653956505.db2.gz DIRCGIQNPQQTTK-UHFFFAOYSA-N 1 0 375.441 1.091 20 0 GDADRO CO[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1Br ZINC000655413741 653969064 /nfs/dbraw/zinc/96/90/64/653969064.db2.gz HQMVYOPJFAFXRW-WFASDCNBSA-N 1 0 398.301 1.450 20 0 GDADRO [NH3+]C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C(F)(F)F ZINC000655506543 653972058 /nfs/dbraw/zinc/97/20/58/653972058.db2.gz CJVLYKUNUHPTBW-SNVBAGLBSA-N 1 0 382.180 1.575 20 0 GDADRO [NH3+]C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)C(F)(F)F ZINC000655508185 653972444 /nfs/dbraw/zinc/97/24/44/653972444.db2.gz JSFGAKIWBMZQQK-SNVBAGLBSA-N 1 0 385.433 1.542 20 0 GDADRO [NH3+]C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C(F)(F)F ZINC000655510659 653973070 /nfs/dbraw/zinc/97/30/70/653973070.db2.gz QXHLSGOOHGEYME-SNVBAGLBSA-N 1 0 396.163 1.180 20 0 GDADRO Cc1c(C(=O)N[C@@H](C[NH3+])C(F)(F)F)nnn1-c1cccc(Br)c1 ZINC000655511005 653973228 /nfs/dbraw/zinc/97/32/28/653973228.db2.gz YCXOIBWZHKEEFU-JTQLQIEISA-N 1 0 392.179 1.958 20 0 GDADRO [NH3+]C[C@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000655512804 653973383 /nfs/dbraw/zinc/97/33/83/653973383.db2.gz ZLKURDMFQPTWKN-MNOVXSKESA-N 1 0 381.807 1.861 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@](C)(CO)OC ZINC000655807244 653991037 /nfs/dbraw/zinc/99/10/37/653991037.db2.gz IVROYRJWEWJORM-ZBEGNZNMSA-N 1 0 389.290 1.449 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)C(F)(F)F ZINC000655926024 653994343 /nfs/dbraw/zinc/99/43/43/653994343.db2.gz CHKRUZYGRUWTCJ-ZYHUDNBSSA-N 1 0 398.223 1.789 20 0 GDADRO Cc1ccc([C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC000655929432 653994768 /nfs/dbraw/zinc/99/47/68/653994768.db2.gz RZVLHVXETXUDKZ-CYZMBNFOSA-N 1 0 381.420 1.658 20 0 GDADRO [NH3+]C[C@H](NC(=O)N(CCO)Cc1ccc(Br)s1)C(F)(F)F ZINC000655930116 653995089 /nfs/dbraw/zinc/99/50/89/653995089.db2.gz ZPTOPLIXIALHQH-QMMMGPOBSA-N 1 0 390.225 1.904 20 0 GDADRO COCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655957992 653996461 /nfs/dbraw/zinc/99/64/61/653996461.db2.gz HAFLKAREJFBEET-JTQLQIEISA-N 1 0 383.754 1.310 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000656023601 653999942 /nfs/dbraw/zinc/99/99/42/653999942.db2.gz DQJSQPSDXIMSJN-XHDPSFHLSA-N 1 0 382.302 1.960 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C)C2)c(C)c[nH+]1 ZINC000656387967 654028156 /nfs/dbraw/zinc/02/81/56/654028156.db2.gz FXGXPUJLSFSVLP-UHFFFAOYSA-N 1 0 389.543 1.314 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C)(F)C2)c(C)c[nH+]1 ZINC000656391540 654029176 /nfs/dbraw/zinc/02/91/76/654029176.db2.gz MKHCPPICBFOPMN-UHFFFAOYSA-N 1 0 393.506 1.016 20 0 GDADRO O=C1COc2ccc(Br)cc2N1Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656468676 654031186 /nfs/dbraw/zinc/03/11/86/654031186.db2.gz QUPWOEGTSAQWFV-LBPRGKRZSA-N 1 0 378.230 1.501 20 0 GDADRO O=C(NCCNC(=O)c1ccc(Br)cn1)NCC[NH+]1CCCCC1 ZINC000656538657 654036946 /nfs/dbraw/zinc/03/69/46/654036946.db2.gz JIOMSPCIIYTPAA-UHFFFAOYSA-N 1 0 398.305 1.359 20 0 GDADRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000656692071 654047007 /nfs/dbraw/zinc/04/70/07/654047007.db2.gz ZOZBCOZNODRPML-HNNXBMFYSA-N 1 0 389.949 1.347 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)C[C@H](OC)C2CCCC2)C1 ZINC000656925559 654073749 /nfs/dbraw/zinc/07/37/49/654073749.db2.gz WRPRDOQSLYBXJN-MSOLQXFVSA-N 1 0 376.563 1.954 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)cc2C1 ZINC000657021204 654100052 /nfs/dbraw/zinc/10/00/52/654100052.db2.gz PLYDCHMZXYCKQN-UHFFFAOYSA-N 1 0 387.571 1.909 20 0 GDADRO C[C@H](Cn1cncn1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000658011266 654177777 /nfs/dbraw/zinc/17/77/77/654177777.db2.gz VIJHFWZIBDHEJU-SNVBAGLBSA-N 1 0 378.285 1.542 20 0 GDADRO CCN(C(=O)C(=O)Nc1cc(Br)cc(OC)c1)[C@H]1CC[N@H+](C)C1 ZINC000658359861 654185298 /nfs/dbraw/zinc/18/52/98/654185298.db2.gz FWUBAJWGWWWOPU-ZDUSSCGKSA-N 1 0 384.274 1.949 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc2C1 ZINC000658382876 654188014 /nfs/dbraw/zinc/18/80/14/654188014.db2.gz ZCLSWDONDGTBOV-XUJVJEKNSA-N 1 0 385.555 1.647 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000658385189 654188504 /nfs/dbraw/zinc/18/85/04/654188504.db2.gz YPNPHXPXEUQAMT-OAHLLOKOSA-N 1 0 386.539 1.490 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cc3c(cc2Br)OCCO3)CCCC1 ZINC000658390098 654189453 /nfs/dbraw/zinc/18/94/53/654189453.db2.gz MQWSFNGCFDPDRT-UHFFFAOYSA-N 1 0 391.287 1.770 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1F ZINC000658398421 654189963 /nfs/dbraw/zinc/18/99/63/654189963.db2.gz UYKSHUOUOHFSKY-UHFFFAOYSA-N 1 0 391.490 1.088 20 0 GDADRO O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658902286 654211034 /nfs/dbraw/zinc/21/10/34/654211034.db2.gz RVSCMJWFCXSNHE-HNNXBMFYSA-N 1 0 386.279 1.990 20 0 GDADRO C[NH2+]Cc1cccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1 ZINC000659019564 654213937 /nfs/dbraw/zinc/21/39/37/654213937.db2.gz QDRVBVLXLKJDBR-STQMWFEESA-N 1 0 379.404 1.845 20 0 GDADRO CC(C)[NH2+]CC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000659264988 654219681 /nfs/dbraw/zinc/21/96/81/654219681.db2.gz ACXVOTOLVWGJJL-UHFFFAOYSA-N 1 0 398.301 1.497 20 0 GDADRO CC(C)OC[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000659285947 654220859 /nfs/dbraw/zinc/22/08/59/654220859.db2.gz ZOBBXVIOOXJGAM-ZDUSSCGKSA-N 1 0 386.290 1.977 20 0 GDADRO CS(=O)(=O)C1(C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)CC[NH2+]CC1 ZINC000659341235 654223629 /nfs/dbraw/zinc/22/36/29/654223629.db2.gz UAAIJBXAWVIUMM-GFCCVEGCSA-N 1 0 386.436 1.160 20 0 GDADRO CS(=O)(=O)C1(C(=O)NC[C@H](OC2CCCC2)C(F)(F)F)CC[NH2+]CC1 ZINC000659341237 654223682 /nfs/dbraw/zinc/22/36/82/654223682.db2.gz UAAIJBXAWVIUMM-LBPRGKRZSA-N 1 0 386.436 1.160 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[C@H]1F ZINC000659391550 654225076 /nfs/dbraw/zinc/22/50/76/654225076.db2.gz WHFMMCWROWBWDC-RBSFLKMASA-N 1 0 398.276 1.951 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[C@H]1F ZINC000659391545 654225192 /nfs/dbraw/zinc/22/51/92/654225192.db2.gz WHFMMCWROWBWDC-KFWWJZLASA-N 1 0 398.276 1.951 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)C[C@H]1C(F)(F)F ZINC000659505060 654227189 /nfs/dbraw/zinc/22/71/89/654227189.db2.gz GQNPIOPJFUHTCS-VXGBXAGGSA-N 1 0 385.452 1.655 20 0 GDADRO CC(C)[N@H+](C)C[C@H](O)CN1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000660153816 654241602 /nfs/dbraw/zinc/24/16/02/654241602.db2.gz HPCSQYTZJBKDJR-JKSUJKDBSA-N 1 0 384.318 1.623 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000660409772 654249542 /nfs/dbraw/zinc/24/95/42/654249542.db2.gz YXLFCFVZFJSJMQ-KZNAEPCWSA-N 1 0 375.579 1.337 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000660569815 654254942 /nfs/dbraw/zinc/25/49/42/654254942.db2.gz JNTRWBNLVJWHHV-QXSJWSMHSA-N 1 0 376.881 1.626 20 0 GDADRO O=C(C[NH2+][C@H](CO)C1CCC1)NCC(=O)Nc1ccccc1Br ZINC000661152481 654264877 /nfs/dbraw/zinc/26/48/77/654264877.db2.gz HHEUWMNBLXAVDO-CQSZACIVSA-N 1 0 384.274 1.254 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCSC[C@@H]2c2nccs2)C1 ZINC000661532948 654275147 /nfs/dbraw/zinc/27/51/47/654275147.db2.gz WZQMBNNULQNRNY-ZIAGYGMSSA-N 1 0 382.555 1.749 20 0 GDADRO O=C(NC[C@@H]1CCCN(Cc2ncsc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000662263465 654291114 /nfs/dbraw/zinc/29/11/14/654291114.db2.gz BMGUYDYJOWONJT-RYUDHWBXSA-N 1 0 387.347 1.986 20 0 GDADRO [NH3+]CCN(Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C[C@@H](O)CO ZINC000662287986 654292058 /nfs/dbraw/zinc/29/20/58/654292058.db2.gz LLBGSHWYJXRZKK-CQSZACIVSA-N 1 0 380.901 1.830 20 0 GDADRO Cc1c(Cl)cccc1NC(=O)CNC(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662329700 654293088 /nfs/dbraw/zinc/29/30/88/654293088.db2.gz LXVKYDYROFAPQI-LBPRGKRZSA-N 1 0 380.798 1.525 20 0 GDADRO CN(c1ccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1)S(C)(=O)=O ZINC000662456852 654293620 /nfs/dbraw/zinc/29/36/20/654293620.db2.gz ZAJZIDSPBZPYJW-UHFFFAOYSA-N 1 0 379.507 1.720 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H](N)c3ccccc3Br)CC2)C1 ZINC000662461891 654294176 /nfs/dbraw/zinc/29/41/76/654294176.db2.gz FKATZLKZDQUCMB-WMLDXEAASA-N 1 0 395.345 1.687 20 0 GDADRO C[C@H](CNC(=O)[C@H](N)c1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000662480387 654295962 /nfs/dbraw/zinc/29/59/62/654295962.db2.gz RUYULOVDLAPMMQ-CZUORRHYSA-N 1 0 383.334 1.449 20 0 GDADRO Nc1nsc(N2CCN(C(=O)[C@H](N)c3ccccc3Br)CC2)n1 ZINC000662496078 654297071 /nfs/dbraw/zinc/29/70/71/654297071.db2.gz WVMUWYXNOCVECZ-LLVKDONJSA-N 1 0 397.302 1.231 20 0 GDADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)CC2 ZINC000662626114 654298863 /nfs/dbraw/zinc/29/88/63/654298863.db2.gz CGQAQJBYUFMNDC-AWEZNQCLSA-N 1 0 377.388 1.026 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000662666938 654299026 /nfs/dbraw/zinc/29/90/26/654299026.db2.gz QPBNEGXRLJPOHJ-HNNXBMFYSA-N 1 0 394.313 1.756 20 0 GDADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000662809804 654303127 /nfs/dbraw/zinc/30/31/27/654303127.db2.gz LHAFXFTUCYQACY-NWDGAFQWSA-N 1 0 381.230 1.479 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662839623 654304745 /nfs/dbraw/zinc/30/47/45/654304745.db2.gz WBPOCGPQRHXQKC-HNNXBMFYSA-N 1 0 385.555 1.655 20 0 GDADRO C[C@]1(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000663005225 654318144 /nfs/dbraw/zinc/31/81/44/654318144.db2.gz IMQPYRJUVLKSIF-KRWDZBQOSA-N 1 0 385.917 1.609 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663010225 654318186 /nfs/dbraw/zinc/31/81/86/654318186.db2.gz NSPPRHYTZASDOM-ABAIWWIYSA-N 1 0 389.315 1.727 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000663311858 654332996 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Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)nc1Br ZINC000792949854 655102208 /nfs/dbraw/zinc/10/22/08/655102208.db2.gz ADCYNJXMEQOPSB-UHFFFAOYSA-N 1 0 381.274 1.834 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc1Br ZINC000792989363 655104919 /nfs/dbraw/zinc/10/49/19/655104919.db2.gz XAZUSZFXZRXJRB-NWDGAFQWSA-N 1 0 397.273 1.070 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(Br)n1 ZINC000835476114 655105459 /nfs/dbraw/zinc/10/54/59/655105459.db2.gz PKPWSFFIUCIWRK-GFCCVEGCSA-N 1 0 399.289 1.054 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000760311669 655107922 /nfs/dbraw/zinc/10/79/22/655107922.db2.gz VMKYPDQOPAOFJY-CHWSQXEVSA-N 1 0 388.921 1.392 20 0 GDADRO C[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)CCn1cc(Br)cn1 ZINC000808802133 655114852 /nfs/dbraw/zinc/11/48/52/655114852.db2.gz HMWMEVNTAKNEEM-UHFFFAOYSA-N 1 0 387.303 1.468 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](C)[N@H+](C)C1CC1)NS(=O)(=O)c1cccnc1Cl ZINC000760519549 655115631 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C[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000842477581 655366638 /nfs/dbraw/zinc/36/66/38/655366638.db2.gz AVTOABXIAPPROE-NEPJUHHUSA-N 1 0 375.441 1.538 20 0 GDADRO O=S(=O)(N[C@@H]1CCCC[NH2+]C1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842481057 655367010 /nfs/dbraw/zinc/36/70/10/655367010.db2.gz AMESMFBVVVUEGL-SNVBAGLBSA-N 1 0 386.417 1.401 20 0 GDADRO O=S(=O)(NCCC[NH2+]C1CC1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842481205 655367016 /nfs/dbraw/zinc/36/70/16/655367016.db2.gz GRVUUISOTBBIJB-UHFFFAOYSA-N 1 0 386.417 1.401 20 0 GDADRO O=S(=O)(/C=C\c1cccc(Br)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000842482754 655367418 /nfs/dbraw/zinc/36/74/18/655367418.db2.gz XORFOWMJGUHYQL-PODYEWJSSA-N 1 0 375.288 1.718 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C[C@@]1(C)C[NH3+] ZINC000842483003 655367550 /nfs/dbraw/zinc/36/75/50/655367550.db2.gz DYKDDESVHKBJDD-QMTHXVAHSA-N 1 0 379.404 1.793 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@@]1(C)C[NH3+] ZINC000842482899 655367581 /nfs/dbraw/zinc/36/75/81/655367581.db2.gz DUAFTPHLPCAEMJ-PRHODGIISA-N 1 0 386.948 1.410 20 0 GDADRO CC(C)C[C@H]([NH3+])c1noc(Cn2cnc3c(c(Br)nn3C)c2=O)n1 ZINC000842586708 655369227 /nfs/dbraw/zinc/36/92/27/655369227.db2.gz WYCLWVRBAQXVNO-QMMMGPOBSA-N 1 0 396.249 1.370 20 0 GDADRO [NH3+][C@@H]1CCN(S(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)C1 ZINC000842681570 655370938 /nfs/dbraw/zinc/37/09/38/655370938.db2.gz MZKVARONHJWGPJ-MRVPVSSYSA-N 1 0 379.667 1.472 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@H]2CCC[NH2+]C2)s1 ZINC000842687156 655371312 /nfs/dbraw/zinc/37/13/12/655371312.db2.gz TYZDOTAZHLRYAC-ZETCQYMHSA-N 1 0 383.289 1.328 20 0 GDADRO [NH3+]C1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000842697351 655371674 /nfs/dbraw/zinc/37/16/74/655371674.db2.gz SUTKJIDPHPVQRA-UHFFFAOYSA-N 1 0 386.417 1.528 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842698214 655371848 /nfs/dbraw/zinc/37/18/48/655371848.db2.gz NBCUOPAJKPCHMT-JTQLQIEISA-N 1 0 386.417 1.482 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)c(Br)cc1F ZINC000842701169 655371964 /nfs/dbraw/zinc/37/19/64/655371964.db2.gz OYNHNQQPGNCZPM-MRVPVSSYSA-N 1 0 395.250 1.344 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000842700911 655371985 /nfs/dbraw/zinc/37/19/85/655371985.db2.gz XMMQDLQFPRAASQ-NSHDSACASA-N 1 0 391.287 1.656 20 0 GDADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000842710527 655372623 /nfs/dbraw/zinc/37/26/23/655372623.db2.gz SCDDDPIDSOCCHN-LBPRGKRZSA-N 1 0 375.516 1.409 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)ccc1Br ZINC000842709005 655372636 /nfs/dbraw/zinc/37/26/36/655372636.db2.gz SLCPFRULFHWYNG-SNVBAGLBSA-N 1 0 391.287 1.514 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c(Br)o1 ZINC000842708864 655372705 /nfs/dbraw/zinc/37/27/05/655372705.db2.gz OZETWJNGRBGIAL-MRVPVSSYSA-N 1 0 381.248 1.107 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1Br ZINC000842726752 655373997 /nfs/dbraw/zinc/37/39/97/655373997.db2.gz NFQAZPAKHNTKIG-ZANVPECISA-N 1 0 391.287 1.594 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCC(C)(C)[NH3+])c1 ZINC000842729751 655374083 /nfs/dbraw/zinc/37/40/83/655374083.db2.gz ALSNZNWAGSFWCC-UHFFFAOYSA-N 1 0 397.950 1.386 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c1OC ZINC000842738066 655374516 /nfs/dbraw/zinc/37/45/16/655374516.db2.gz UHPFLCZLEXFJAG-UHFFFAOYSA-N 1 0 389.905 1.599 20 0 GDADRO Cn1cc([C@@H]2CN(Cc3ccccc3I)C[C@H]2[NH3+])cn1 ZINC000818431981 655374590 /nfs/dbraw/zinc/37/45/90/655374590.db2.gz ZDSNLAZLQPJZCQ-DZGCQCFKSA-N 1 0 382.249 1.951 20 0 GDADRO C[C@H]([NH3+])c1ccc(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000818433999 655374601 /nfs/dbraw/zinc/37/46/01/655374601.db2.gz NXTNSFBKARFHEE-NSHDSACASA-N 1 0 375.441 1.701 20 0 GDADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000842744832 655374879 /nfs/dbraw/zinc/37/48/79/655374879.db2.gz WZHHHIDHLMMJMG-IINYFYTJSA-N 1 0 385.873 1.634 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)s1 ZINC000842766714 655375925 /nfs/dbraw/zinc/37/59/25/655375925.db2.gz SWYAAJCGMQNIPY-YUMQZZPRSA-N 1 0 397.316 1.668 20 0 GDADRO C[C@@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000818533893 655376196 /nfs/dbraw/zinc/37/61/96/655376196.db2.gz VLHSYAMYDFNNNA-CHWSQXEVSA-N 1 0 385.917 1.998 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818555123 655376346 /nfs/dbraw/zinc/37/63/46/655376346.db2.gz LURIQQHVSOSXSQ-JTQLQIEISA-N 1 0 377.304 1.956 20 0 GDADRO CC1([NH3+])CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000842774415 655376402 /nfs/dbraw/zinc/37/64/02/655376402.db2.gz DXZDVMZHFATQJH-UHFFFAOYSA-N 1 0 386.417 1.482 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)c(Br)o1 ZINC000842774326 655376405 /nfs/dbraw/zinc/37/64/05/655376405.db2.gz CSKISVNMXOELIN-UHFFFAOYSA-N 1 0 381.248 1.331 20 0 GDADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000842780575 655376523 /nfs/dbraw/zinc/37/65/23/655376523.db2.gz STDJRBLEAFQTGH-KBPBESRZSA-N 1 0 390.527 1.048 20 0 GDADRO CC1(CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC[NH2+]CC1 ZINC000818567644 655376662 /nfs/dbraw/zinc/37/66/62/655376662.db2.gz RDQBARBUHQKHIG-UHFFFAOYSA-N 1 0 385.917 1.999 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000818589452 655376792 /nfs/dbraw/zinc/37/67/92/655376792.db2.gz CMVBXCZRRPXUEK-HSMVNMDESA-N 1 0 385.917 1.996 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842788686 655377022 /nfs/dbraw/zinc/37/70/22/655377022.db2.gz JWJBILVERHULKC-VHSXEESVSA-N 1 0 386.417 1.338 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000818613170 655377370 /nfs/dbraw/zinc/37/73/70/655377370.db2.gz HTDOGFARICDZNL-UHFFFAOYSA-N 1 0 388.921 1.379 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)ccc1F ZINC000842792002 655377413 /nfs/dbraw/zinc/37/74/13/655377413.db2.gz INNWQENTFDWGKE-UHFFFAOYSA-N 1 0 386.470 1.379 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)s1 ZINC000842804660 655378386 /nfs/dbraw/zinc/37/83/86/655378386.db2.gz AUHVMTXCJGSLHQ-HTRCEHHLSA-N 1 0 383.289 1.265 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)ccc1Br ZINC000842813826 655378786 /nfs/dbraw/zinc/37/87/86/655378786.db2.gz UGKBUBQPFHVIFM-NXEZZACHSA-N 1 0 391.287 1.655 20 0 GDADRO C[NH2+]CCN(C)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842824787 655379697 /nfs/dbraw/zinc/37/96/97/655379697.db2.gz BLDKGEDZNLFLSN-UHFFFAOYSA-N 1 0 381.683 1.590 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N(C)CC[NH2+]C)c1 ZINC000842824786 655379744 /nfs/dbraw/zinc/37/97/44/655379744.db2.gz BEMIBMHQTJBEMB-UHFFFAOYSA-N 1 0 393.303 1.774 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000842834300 655380328 /nfs/dbraw/zinc/38/03/28/655380328.db2.gz QUZYFAJKPGKWHR-KCJUWKMLSA-N 1 0 381.267 1.873 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)s1 ZINC000842838169 655380568 /nfs/dbraw/zinc/38/05/68/655380568.db2.gz JMQJUOVGJLPHIG-GFCCVEGCSA-N 1 0 375.516 1.396 20 0 GDADRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842869661 655381658 /nfs/dbraw/zinc/38/16/58/655381658.db2.gz OGTZYAGILGVLQJ-SNVBAGLBSA-N 1 0 388.433 1.776 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)ccc1Cl ZINC000842874393 655381880 /nfs/dbraw/zinc/38/18/80/655381880.db2.gz UQVVGFDGDJODTR-UHFFFAOYSA-N 1 0 392.930 1.508 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000818946048 655382073 /nfs/dbraw/zinc/38/20/73/655382073.db2.gz DDVCCZHGRRDQLS-HNNXBMFYSA-N 1 0 391.331 1.886 20 0 GDADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000842883351 655382475 /nfs/dbraw/zinc/38/24/75/655382475.db2.gz MLPTWJSFULIHTL-LLVKDONJSA-N 1 0 390.303 1.374 20 0 GDADRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842891842 655383215 /nfs/dbraw/zinc/38/32/15/655383215.db2.gz BOWPJIQURUWKFS-UHFFFAOYSA-N 1 0 386.417 1.482 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c(F)cc1Br ZINC000842913479 655383919 /nfs/dbraw/zinc/38/39/19/655383919.db2.gz HSOPXMMOXJCDFT-HTQZYQBOSA-N 1 0 397.266 1.779 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000842918575 655384183 /nfs/dbraw/zinc/38/41/83/655384183.db2.gz ULTVTBPMQBKYPG-RKDXNWHRSA-N 1 0 379.276 1.640 20 0 GDADRO CC(C)COC[C@@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000819054839 655384305 /nfs/dbraw/zinc/38/43/05/655384305.db2.gz MTWZAXSXHQRXTC-ZDUSSCGKSA-N 1 0 376.441 1.171 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819065119 655384543 /nfs/dbraw/zinc/38/45/43/655384543.db2.gz KCIXABHUDOIKGB-HIFRSBDPSA-N 1 0 378.535 1.407 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCCCCC[NH3+])cc1 ZINC000842922775 655384716 /nfs/dbraw/zinc/38/47/16/655384716.db2.gz UFBVQMDAKBUAQG-UHFFFAOYSA-N 1 0 391.559 1.515 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2F)CC1)C(F)(F)F ZINC000819149757 655387024 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Cn1nc(Br)cc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843058057 655387604 /nfs/dbraw/zinc/38/76/04/655387604.db2.gz OEWYUEWLCIPVPO-GXTWGEPZSA-N 1 0 384.322 1.263 20 0 GDADRO Cn1cc([C@@H](O)C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)cn1 ZINC000843093907 655388314 /nfs/dbraw/zinc/38/83/14/655388314.db2.gz RYXPBYYZBKAKRN-AWEZNQCLSA-N 1 0 388.287 1.280 20 0 GDADRO C[C@](O)(C[NH2+][C@H]1CCCN(CCO)C1=O)c1ccc(Br)cc1F ZINC000843105893 655388643 /nfs/dbraw/zinc/38/86/43/655388643.db2.gz ZAZUGRCVDIMPGL-HOCLYGCPSA-N 1 0 389.265 1.369 20 0 GDADRO C[C@](O)(C[NH2+][C@@H](CO)CN1CCCC1)c1ccc(Br)cc1F ZINC000843115350 655388786 /nfs/dbraw/zinc/38/87/86/655388786.db2.gz HTLJNZIZGFSQKU-CJNGLKHVSA-N 1 0 375.282 1.842 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+]CCC(=O)N(C)OC)cc1Br ZINC000843116750 655388803 /nfs/dbraw/zinc/38/88/03/655388803.db2.gz MAYUNKLPAMYUQB-CYBMUJFWSA-N 1 0 389.290 1.608 20 0 GDADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000819255773 655388841 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C[C@H](CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])NS(=O)(=O)c1cccnc1Cl ZINC000843346269 655393197 /nfs/dbraw/zinc/39/31/97/655393197.db2.gz MKIYIKYGZKSDPW-XQQFMLRXSA-N 1 0 388.921 1.378 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000843346839 655393252 /nfs/dbraw/zinc/39/32/52/655393252.db2.gz PRDLALBZCYIUPP-YPMHNXCESA-N 1 0 375.441 1.823 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843356240 655393570 /nfs/dbraw/zinc/39/35/70/655393570.db2.gz ITTUEBYUVIHOEV-QWHCGFSZSA-N 1 0 390.937 1.624 20 0 GDADRO CC[C@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[C@@H]1[NH3+] ZINC000843377225 655393912 /nfs/dbraw/zinc/39/39/12/655393912.db2.gz LXEGLSLRMLQENW-FZMZJTMJSA-N 1 0 375.441 1.681 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843453458 655395211 /nfs/dbraw/zinc/39/52/11/655395211.db2.gz QXHRKVINZUKZRO-WDEREUQCSA-N 1 0 380.495 1.107 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)[C@@H](C)C[NH2+]1 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ZINC000846143926 655448824 /nfs/dbraw/zinc/44/88/24/655448824.db2.gz BAKJSYJRYYNSPQ-RRFJBIMHSA-N 1 0 375.535 1.128 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846234744 655450522 /nfs/dbraw/zinc/45/05/22/655450522.db2.gz KBYDLIGHKNEQEQ-YNEHKIRRSA-N 1 0 376.910 1.431 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000846255581 655451044 /nfs/dbraw/zinc/45/10/44/655451044.db2.gz IVJCGHKIUDJUGI-IAGOWNOFSA-N 1 0 377.888 1.377 20 0 GDADRO CN(C)c1nc(Cl)c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000823091428 655456393 /nfs/dbraw/zinc/45/63/93/655456393.db2.gz ITKYNQAOFLMUFY-UHFFFAOYSA-N 1 0 385.921 1.243 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]cc1Br ZINC000846653161 655458355 /nfs/dbraw/zinc/45/83/55/655458355.db2.gz AWPQDSSRKOWMRU-JTQLQIEISA-N 1 0 390.282 1.956 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)C1 ZINC000846720393 655459479 /nfs/dbraw/zinc/45/94/79/655459479.db2.gz 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NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847424749 655469306 /nfs/dbraw/zinc/46/93/06/655469306.db2.gz POTYXKZNASGQFK-CYBMUJFWSA-N 1 0 399.264 1.538 20 0 GDADRO COCC[NH+]1CCC(OC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000847882868 655478497 /nfs/dbraw/zinc/47/84/97/655478497.db2.gz ARYUZVAENOGASR-GFCCVEGCSA-N 1 0 376.500 1.069 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000824668487 655478796 /nfs/dbraw/zinc/47/87/96/655478796.db2.gz PSOFXNYZEAOGAI-WCQYABFASA-N 1 0 381.274 1.644 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000824772415 655480343 /nfs/dbraw/zinc/48/03/43/655480343.db2.gz IYIBLTIOJIUGRF-CQSZACIVSA-N 1 0 383.290 1.563 20 0 GDADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)Cc2sc(=S)[nH]c2C)CC1 ZINC000848064733 655481470 /nfs/dbraw/zinc/48/14/70/655481470.db2.gz YEKLKKRXJKAQJP-UHFFFAOYSA-N 1 0 384.571 1.732 20 0 GDADRO CC[C@@H]1CN(c2ccc(Br)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](C)O ZINC000825213365 655485778 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Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cnc(Br)s2)cn1 ZINC000849589797 655542523 /nfs/dbraw/zinc/54/25/23/655542523.db2.gz ZQNZQDKQDXZXJQ-QWHCGFSZSA-N 1 0 398.330 1.991 20 0 GDADRO CSc1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000850374924 655553458 /nfs/dbraw/zinc/55/34/58/655553458.db2.gz AUJZTPYRNJDGTH-NEPJUHHUSA-N 1 0 383.901 1.980 20 0 GDADRO COc1ncc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)c(C)c1Br ZINC000850383950 655553913 /nfs/dbraw/zinc/55/39/13/655553913.db2.gz FZIWKEVKLFZWLU-SNVBAGLBSA-N 1 0 399.289 1.700 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C1 ZINC000850520576 655557227 /nfs/dbraw/zinc/55/72/27/655557227.db2.gz WATQOCLHFMVANW-NXEZZACHSA-N 1 0 381.363 1.920 20 0 GDADRO COc1cc(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cnc1Cl ZINC000850587555 655559283 /nfs/dbraw/zinc/55/92/83/655559283.db2.gz CTRCFQBLMIOHJW-NSHDSACASA-N 1 0 375.878 1.120 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000850593548 655559891 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20 0 GDADRO Ic1cnnn1C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000852533448 655617779 /nfs/dbraw/zinc/61/77/79/655617779.db2.gz ZBEFQVBRJHBKCJ-LLVKDONJSA-N 1 0 376.242 1.946 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852190497 655609726 /nfs/dbraw/zinc/60/97/26/655609726.db2.gz DHHKVLRBTUHKPC-BLLLJJGKSA-N 1 0 389.327 1.962 20 0 GDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[S@](=O)CC(F)(F)F ZINC000852457217 655614857 /nfs/dbraw/zinc/61/48/57/655614857.db2.gz PNUVASPSABBVOL-YDBLSZJJSA-N 1 0 385.452 1.192 20 0 GDADRO Ic1cnnn1C1CC[NH+](CCC2OCCO2)CC1 ZINC000852533477 655617791 /nfs/dbraw/zinc/61/77/91/655617791.db2.gz ZFWIAHIZSNKDOP-UHFFFAOYSA-N 1 0 378.214 1.283 20 0 GDADRO COC(=O)/C=C1\SCC(=O)N1CCCN1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000852778784 655622411 /nfs/dbraw/zinc/62/24/11/655622411.db2.gz VTYFYKYKHMTLEX-OOABXRKESA-N 1 0 378.441 1.711 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)c1cnn(-c2ccccc2)c1I ZINC000852792773 655622593 /nfs/dbraw/zinc/62/25/93/655622593.db2.gz CANXROWDYDUMQA-JTQLQIEISA-N 1 0 382.205 1.569 20 0 GDADRO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(NS(C)(=O)=O)c1 ZINC000852817417 655623357 /nfs/dbraw/zinc/62/33/57/655623357.db2.gz VUIBENXQBUVLLA-HZMBPMFUSA-N 1 0 379.404 1.777 20 0 GDADRO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(NS(C)(=O)=O)c1 ZINC000852817419 655623405 /nfs/dbraw/zinc/62/34/05/655623405.db2.gz VUIBENXQBUVLLA-QMTHXVAHSA-N 1 0 379.404 1.777 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852827501 655623707 /nfs/dbraw/zinc/62/37/07/655623707.db2.gz JUFWWRPPNPXYDT-NSHDSACASA-N 1 0 383.246 1.306 20 0 GDADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852853470 655624127 /nfs/dbraw/zinc/62/41/27/655624127.db2.gz GOVCGBUVZAFKPQ-JSGCOSHPSA-N 1 0 388.251 1.687 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)=NO1 ZINC000852889397 655625361 /nfs/dbraw/zinc/62/53/61/655625361.db2.gz OMGQDIBWNJABRR-CQSZACIVSA-N 1 0 382.258 1.923 20 0 GDADRO O=C(c1scnc1Cl)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852930094 655628656 /nfs/dbraw/zinc/62/86/56/655628656.db2.gz FZUBXTGUPCKVRR-NSHDSACASA-N 1 0 380.905 1.949 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)s1 ZINC000853080703 655632196 /nfs/dbraw/zinc/63/21/96/655632196.db2.gz DECAIRBXKYWMCJ-SECBINFHSA-N 1 0 389.421 1.157 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)s1 ZINC000853080672 655632231 /nfs/dbraw/zinc/63/22/31/655632231.db2.gz BZLVSXMMLFCLFP-LLVKDONJSA-N 1 0 383.289 1.328 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)ccc1Br ZINC000853082564 655632420 /nfs/dbraw/zinc/63/24/20/655632420.db2.gz JWFWYNSBPDEAHZ-CYBMUJFWSA-N 1 0 377.260 1.266 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000853083617 655632496 /nfs/dbraw/zinc/63/24/96/655632496.db2.gz XSOSEJXMXXOVKQ-ZDUSSCGKSA-N 1 0 377.260 1.266 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(Cn2cc(I)cn2)CCO1 ZINC000853624284 655645594 /nfs/dbraw/zinc/64/55/94/655645594.db2.gz IJLRMWILKQVFMI-CYBMUJFWSA-N 1 0 378.258 1.488 20 0 GDADRO CC(C)(C)n1ncc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1Br ZINC000854354530 655663761 /nfs/dbraw/zinc/66/37/61/655663761.db2.gz SFROJZGCBBLWCV-GFCCVEGCSA-N 1 0 384.322 1.520 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000854353407 655663808 /nfs/dbraw/zinc/66/38/08/655663808.db2.gz YJFVYGNHHHSDJG-ZBFHGGJFSA-N 1 0 380.286 1.259 20 0 GDADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(Br)n[nH]2)CC1 ZINC000854441198 655666857 /nfs/dbraw/zinc/66/68/57/655666857.db2.gz WUGPRBKCFUOPCQ-UHFFFAOYSA-N 1 0 389.294 1.372 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000854459154 655667237 /nfs/dbraw/zinc/66/72/37/655667237.db2.gz WKDJAVLLZQDYTO-CANCMXDXSA-N 1 0 375.535 1.201 20 0 GDADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H](CO)C[NH+](C)C)cc1 ZINC000854467869 655667413 /nfs/dbraw/zinc/66/74/13/655667413.db2.gz ZPFCYGDLEDTADZ-LBPRGKRZSA-N 1 0 381.274 1.596 20 0 GDADRO Cc1c(Cl)c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)sc1S(N)(=O)=O ZINC000855163581 655686057 /nfs/dbraw/zinc/68/60/57/655686057.db2.gz DCJXZXRXAWTBGM-VIFPVBQESA-N 1 0 379.935 1.960 20 0 GDADRO C[C@@H](CCNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[NH+](C)C ZINC000855412479 655693649 /nfs/dbraw/zinc/69/36/49/655693649.db2.gz WYMCZPJUVGUTLD-JTQLQIEISA-N 1 0 377.304 1.923 20 0 GDADRO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000856409998 655712860 /nfs/dbraw/zinc/71/28/60/655712860.db2.gz GAXCOXZFSHHRRR-HUUCEWRRSA-N 1 0 390.571 1.009 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000856785918 655719127 /nfs/dbraw/zinc/71/91/27/655719127.db2.gz CGOIZJWAJKLGGY-GJZGRUSLSA-N 1 0 377.399 1.830 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000856889670 655721493 /nfs/dbraw/zinc/72/14/93/655721493.db2.gz BAUWCJAYOVYTFM-CYBMUJFWSA-N 1 0 377.316 1.520 20 0 GDADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857019236 655725873 /nfs/dbraw/zinc/72/58/73/655725873.db2.gz USVGMVNSGGEKFN-LLVKDONJSA-N 1 0 388.262 1.442 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCc1ccc(Br)cc1F)C2 ZINC000857103922 655727894 /nfs/dbraw/zinc/72/78/94/655727894.db2.gz GTLDNBQSNLAUIS-PXAZEXFGSA-N 1 0 398.276 1.587 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3c(Br)nc4n3CCOC4)C2)CC1 ZINC000857166970 655729706 /nfs/dbraw/zinc/72/97/06/655729706.db2.gz ZWPIPFONWRQBCL-CYBMUJFWSA-N 1 0 397.317 1.980 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(Br)nc2n1CCOC2 ZINC000857173089 655729789 /nfs/dbraw/zinc/72/97/89/655729789.db2.gz JAXZAGCAQCOITF-LLVKDONJSA-N 1 0 385.306 1.978 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CC(=O)N(C)OCC(F)(F)F)c1 ZINC000857241848 655731797 /nfs/dbraw/zinc/73/17/97/655731797.db2.gz JJKVSAXZRQWJLX-NSHDSACASA-N 1 0 384.782 1.930 20 0 GDADRO C[NH+]1CCC2(CCN(C(=O)c3c(Br)nc4n3CCOC4)C2)CC1 ZINC000857260715 655732609 /nfs/dbraw/zinc/73/26/09/655732609.db2.gz JEYTYFGZUVUWKZ-UHFFFAOYSA-N 1 0 383.290 1.734 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CCO1 ZINC000857340372 655735553 /nfs/dbraw/zinc/73/55/53/655735553.db2.gz SHCVBURIZDZYHG-LBPRGKRZSA-N 1 0 389.905 1.170 20 0 GDADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000858526579 655748994 /nfs/dbraw/zinc/74/89/94/655748994.db2.gz FPEGQZFOPSLGPV-KKUMJFAQSA-N 1 0 376.519 1.568 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)[C@H]1C[NH3+] ZINC000858609161 655750081 /nfs/dbraw/zinc/75/00/81/655750081.db2.gz PODZGWIXQPDBME-GWCFXTLKSA-N 1 0 379.404 1.935 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000858609162 655750095 /nfs/dbraw/zinc/75/00/95/655750095.db2.gz PODZGWIXQPDBME-GXFFZTMASA-N 1 0 379.404 1.935 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)cc1Cl ZINC000858609635 655750103 /nfs/dbraw/zinc/75/01/03/655750103.db2.gz ZQCKIIARWRZRMH-UHFFFAOYSA-N 1 0 390.893 1.044 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1)C(F)(F)F ZINC000858615721 655750476 /nfs/dbraw/zinc/75/04/76/655750476.db2.gz WDVORNCYFPXTMF-AWEZNQCLSA-N 1 0 377.388 1.704 20 0 GDADRO Cc1ccc(S(=O)(=O)N(C)C[C@H](C)[NH3+])cc1S(=O)(=O)N1CCCCC1 ZINC000858643185 655751906 /nfs/dbraw/zinc/75/19/06/655751906.db2.gz WXGNAEVRIHGUQN-AWEZNQCLSA-N 1 0 389.543 1.137 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000858929644 655756199 /nfs/dbraw/zinc/75/61/99/655756199.db2.gz BHUBPYFBNWYNHF-SNVBAGLBSA-N 1 0 380.283 1.993 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000859146037 655765890 /nfs/dbraw/zinc/76/58/90/655765890.db2.gz JOWNYEQQMONTBY-UHFFFAOYSA-N 1 0 380.436 1.935 20 0 GDADRO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000859172057 655767407 /nfs/dbraw/zinc/76/74/07/655767407.db2.gz LTMPENUJOGEONZ-CQSZACIVSA-N 1 0 375.535 1.505 20 0 GDADRO Cc1nc2sccn2c1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000859942727 655791977 /nfs/dbraw/zinc/79/19/77/655791977.db2.gz VHUNKQMWYBAXBY-ZDUSSCGKSA-N 1 0 384.527 1.285 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000860047740 655793962 /nfs/dbraw/zinc/79/39/62/655793962.db2.gz HLMDQWSYEWRBFH-BRWVUGGUSA-N 1 0 387.318 1.496 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Br)cnc2F)CC1 ZINC000860184433 655796104 /nfs/dbraw/zinc/79/61/04/655796104.db2.gz ZJLKPCXCWJJPAL-CYBMUJFWSA-N 1 0 399.264 1.362 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000861515768 655824319 /nfs/dbraw/zinc/82/43/19/655824319.db2.gz LZBAXIYSNBZQJP-VHSXEESVSA-N 1 0 375.654 1.693 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C[NH2+]1 ZINC000861524214 655824630 /nfs/dbraw/zinc/82/46/30/655824630.db2.gz AKJWLNGNVWQUOA-RKDXNWHRSA-N 1 0 382.877 1.392 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])n(-c2cccc(Br)c2)n1 ZINC000861541871 655825411 /nfs/dbraw/zinc/82/54/11/655825411.db2.gz IAPUQGRZMWXEDZ-SNVBAGLBSA-N 1 0 394.273 1.687 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])sc2c1CCCS2 ZINC000861542835 655825521 /nfs/dbraw/zinc/82/55/21/655825521.db2.gz ULKQSTXYDIZGJB-VIFPVBQESA-N 1 0 385.511 1.707 20 0 GDADRO COc1cc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c(Cl)cc1Br ZINC000861544211 655825758 /nfs/dbraw/zinc/82/57/58/655825758.db2.gz LGWKLKNGPPKHSC-SSDOTTSWSA-N 1 0 378.654 1.855 20 0 GDADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713572 655828810 /nfs/dbraw/zinc/82/88/10/655828810.db2.gz CZFCPIQHPMSFEN-OLZOCXBDSA-N 1 0 377.794 1.964 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861788780 655830746 /nfs/dbraw/zinc/83/07/46/655830746.db2.gz MXQJTCLALICDJR-CQSZACIVSA-N 1 0 379.404 1.666 20 0 GDADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000861810594 655831325 /nfs/dbraw/zinc/83/13/25/655831325.db2.gz PTLGLDSJQTVXHJ-UHFFFAOYSA-N 1 0 375.416 1.985 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(Br)c(S(C)(=O)=O)c3)C[C@H]21 ZINC000861910730 655833517 /nfs/dbraw/zinc/83/35/17/655833517.db2.gz VLGUGVYVXYJSSU-YABSGUDNSA-N 1 0 387.299 1.485 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cnc1Br ZINC000862030925 655836943 /nfs/dbraw/zinc/83/69/43/655836943.db2.gz AZYHDIHXASMRFJ-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(SC(F)(F)F)nc1 ZINC000862189285 655840967 /nfs/dbraw/zinc/84/09/67/655840967.db2.gz UARNSWUBRCEKBM-UHFFFAOYSA-N 1 0 378.420 1.786 20 0 GDADRO CN(CCC[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000862269039 655843655 /nfs/dbraw/zinc/84/36/55/655843655.db2.gz BHWRHQIMOPGPOU-LBPRGKRZSA-N 1 0 385.477 1.502 20 0 GDADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862394117 655845845 /nfs/dbraw/zinc/84/58/45/655845845.db2.gz DKMXCMBBVLYMBV-KGLIPLIRSA-N 1 0 378.535 1.814 20 0 GDADRO C[C@H]1CC[C@@H]([NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CS1(=O)=O ZINC000862414185 655846047 /nfs/dbraw/zinc/84/60/47/655846047.db2.gz PDKDTOOPRTVENG-BFHYXJOUSA-N 1 0 376.519 1.914 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000862725990 655852514 /nfs/dbraw/zinc/85/25/14/655852514.db2.gz VYGJDGOKTNRSGW-GFCCVEGCSA-N 1 0 380.495 1.122 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000863765017 655880451 /nfs/dbraw/zinc/88/04/51/655880451.db2.gz LFJIVKILOMLXFN-SWLSCSKDSA-N 1 0 397.317 1.658 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc(Br)cc1=O)Cc1ccccc1 ZINC000864612897 655903318 /nfs/dbraw/zinc/90/33/18/655903318.db2.gz WLSMVDKQCABLSW-MRXNPFEDSA-N 1 0 392.297 1.900 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1nc(Br)sc1Cl ZINC000865202296 655914621 /nfs/dbraw/zinc/91/46/21/655914621.db2.gz JNEXGKFQEQVMMC-QMMMGPOBSA-N 1 0 381.727 1.925 20 0 GDADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000864838468 655906699 /nfs/dbraw/zinc/90/66/99/655906699.db2.gz GTVJXXLVOISUIV-ZRDIBKRKSA-N 1 0 384.274 1.678 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000865161259 655913445 /nfs/dbraw/zinc/91/34/45/655913445.db2.gz IGPLBTXRBRDOTO-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO CS(=O)(=O)CCNC(=S)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000865246100 655915213 /nfs/dbraw/zinc/91/52/13/655915213.db2.gz YGBKPGBWADVOHA-KRWDZBQOSA-N 1 0 383.583 1.940 20 0 GDADRO Cc1cc(C)c(Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)c(C)[nH+]1 ZINC000865394670 655919144 /nfs/dbraw/zinc/91/91/44/655919144.db2.gz TUDMJHBBEHCBJR-UHFFFAOYSA-N 1 0 378.230 1.967 20 0 GDADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865468545 655920449 /nfs/dbraw/zinc/92/04/49/655920449.db2.gz IHMMGOJXADAELY-UHFFFAOYSA-N 1 0 391.896 1.937 20 0 GDADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Br)cnc1OC)CC2 ZINC000865491064 655920770 /nfs/dbraw/zinc/92/07/70/655920770.db2.gz LBFWXRWZNBVHPV-LBPRGKRZSA-N 1 0 382.262 1.695 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000865566102 655921950 /nfs/dbraw/zinc/92/19/50/655921950.db2.gz GAAFPSNMIORYFG-ZDUSSCGKSA-N 1 0 392.319 1.756 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000865817924 655927702 /nfs/dbraw/zinc/92/77/02/655927702.db2.gz JCPFRENNTAPAJV-UHFFFAOYSA-N 1 0 387.303 1.423 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000865818556 655927887 /nfs/dbraw/zinc/92/78/87/655927887.db2.gz SBGNEOPXPBAIQF-UHFFFAOYSA-N 1 0 387.303 1.423 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2cc(Br)cn3ccnc23)CCOCC1 ZINC000865875167 655929027 /nfs/dbraw/zinc/92/90/27/655929027.db2.gz GSQLBVBWZFVSPR-UHFFFAOYSA-N 1 0 381.274 1.937 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c(Br)n1 ZINC000866425138 655942124 /nfs/dbraw/zinc/94/21/24/655942124.db2.gz JOKNWOKJLMFICN-UHFFFAOYSA-N 1 0 386.275 1.089 20 0 GDADRO C[C@@H]1C[N@@H+](Cc2ccc(CNS(=O)(=O)N=S(C)(C)=O)cc2)C[C@H](C)O1 ZINC000866482469 655946181 /nfs/dbraw/zinc/94/61/81/655946181.db2.gz XZDSGSOLWQYNCH-OKILXGFUSA-N 1 0 389.543 1.358 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c1Br ZINC000866534056 655948425 /nfs/dbraw/zinc/94/84/25/655948425.db2.gz ZXSJCFLEGHCQLA-UHFFFAOYSA-N 1 0 391.335 1.822 20 0 GDADRO O=C1COC[C@]2(C[NH2+][C@H]3CCc4cc(Br)ccc43)COCCN12 ZINC000866555288 655949438 /nfs/dbraw/zinc/94/94/38/655949438.db2.gz LKOVOAFESZBQNS-RDJZCZTQSA-N 1 0 381.270 1.654 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cnn(C)c1Br)C[NH+]1CCCCC1 ZINC000866557263 655949565 /nfs/dbraw/zinc/94/95/65/655949565.db2.gz KQZZTFVCGIXKEF-NSHDSACASA-N 1 0 379.324 1.583 20 0 GDADRO CN(C[C@@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000866644736 655952332 /nfs/dbraw/zinc/95/23/32/655952332.db2.gz AMPUNKAJKDYTRO-HNNXBMFYSA-N 1 0 377.551 1.847 20 0 GDADRO Cn1cc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866658903 655952704 /nfs/dbraw/zinc/95/27/04/655952704.db2.gz ADCRWIQAYZQQKA-JSGCOSHPSA-N 1 0 384.322 1.263 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000866694530 655954909 /nfs/dbraw/zinc/95/49/09/655954909.db2.gz MXCAYLSKAZFSOR-HNNXBMFYSA-N 1 0 375.535 1.649 20 0 GDADRO COc1ccc(Br)c(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866711414 655956014 /nfs/dbraw/zinc/95/60/14/655956014.db2.gz KBRVJRKMCQNIDX-WQVCFCJDSA-N 1 0 396.285 1.825 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1Br ZINC000866720620 655956774 /nfs/dbraw/zinc/95/67/74/655956774.db2.gz GTKXTSNJBAPOFF-LBPRGKRZSA-N 1 0 391.335 1.822 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)[N@H+](C)C1CC1 ZINC000866724190 655956885 /nfs/dbraw/zinc/95/68/85/655956885.db2.gz JICSYLPJWQEXQR-JTQLQIEISA-N 1 0 379.404 1.948 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc2ccnc(Cl)c2c1 ZINC000866746622 655958510 /nfs/dbraw/zinc/95/85/10/655958510.db2.gz GTQPOPPDUGHHKU-ZDUSSCGKSA-N 1 0 382.917 1.802 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(Br)n1 ZINC000866751442 655958960 /nfs/dbraw/zinc/95/89/60/655958960.db2.gz YFIWDJDQDGWLIN-GFCCVEGCSA-N 1 0 391.335 1.822 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000866769419 655960948 /nfs/dbraw/zinc/96/09/48/655960948.db2.gz MTYONFQBWSEOHA-OAHLLOKOSA-N 1 0 375.535 1.647 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C(C)(C)C)n1 ZINC000866778836 655962541 /nfs/dbraw/zinc/96/25/41/655962541.db2.gz CPVYMDGIGOQRFZ-MNOVXSKESA-N 1 0 382.452 1.865 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)c1Br ZINC000866778929 655962651 /nfs/dbraw/zinc/96/26/51/655962651.db2.gz FZFSMUGZICYURE-UHFFFAOYSA-N 1 0 385.287 1.783 20 0 GDADRO C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1nc2ccccc2s1 ZINC000866792248 655964196 /nfs/dbraw/zinc/96/41/96/655964196.db2.gz XCTZUPSWAIFVNL-AWEZNQCLSA-N 1 0 382.555 1.914 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000866797647 655964839 /nfs/dbraw/zinc/96/48/39/655964839.db2.gz VEGQCWSGYLIOBK-SNVBAGLBSA-N 1 0 375.878 1.578 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000866808403 655966103 /nfs/dbraw/zinc/96/61/03/655966103.db2.gz MDMZTNDKQHRGAZ-HOMQSWHASA-N 1 0 391.287 1.641 20 0 GDADRO Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866816268 655966608 /nfs/dbraw/zinc/96/66/08/655966608.db2.gz DBAIAKCFCMXHSJ-MCIONIFRSA-N 1 0 385.873 1.204 20 0 GDADRO COCCC1(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC[NH2+]CC1 ZINC000866821705 655967124 /nfs/dbraw/zinc/96/71/24/655967124.db2.gz QFJXTODLQAVZHL-UHFFFAOYSA-N 1 0 390.889 1.564 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cnn(C)c2Br)[C@H](C)C1 ZINC000866864688 655971664 /nfs/dbraw/zinc/97/16/64/655971664.db2.gz XJWVAHCQFMFDHT-MNOVXSKESA-N 1 0 379.324 1.533 20 0 GDADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=S1(=O)CCCC1 ZINC000866897386 655974967 /nfs/dbraw/zinc/97/49/67/655974967.db2.gz WSPBGQVKSOWALO-QGZVFWFLSA-N 1 0 385.555 1.947 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1nc[nH]c1Br ZINC000866938936 655979319 /nfs/dbraw/zinc/97/93/19/655979319.db2.gz WNBMGAHBVKDFCH-UHFFFAOYSA-N 1 0 393.332 1.986 20 0 GDADRO CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866940909 655979512 /nfs/dbraw/zinc/97/95/12/655979512.db2.gz ZNLHGUIZVMZAAA-FATZIPQQSA-N 1 0 377.532 1.335 20 0 GDADRO Cn1ncc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c1Br ZINC000866996773 655985536 /nfs/dbraw/zinc/98/55/36/655985536.db2.gz WZKYQWWWYGPBEY-UHFFFAOYSA-N 1 0 379.324 1.581 20 0 GDADRO O=S(=O)(N=S1(=O)CCCC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000867070192 655993356 /nfs/dbraw/zinc/99/33/56/655993356.db2.gz MZZIFAQFCSTDBW-UHFFFAOYSA-N 1 0 393.575 1.317 20 0 GDADRO CN(C[C@H](O)c1cccc(Br)c1)S(=O)(=O)CCC[NH+](C)C ZINC000867403514 656054200 /nfs/dbraw/zinc/05/42/00/656054200.db2.gz ZKBJOFYQYVTDLQ-AWEZNQCLSA-N 1 0 379.320 1.696 20 0 GDADRO CC(C)(C)OC(=O)N1CC(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000867497341 656070870 /nfs/dbraw/zinc/07/08/70/656070870.db2.gz RKNRYCXONFFQCM-CYBMUJFWSA-N 1 0 375.535 1.646 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(Br)cn2)C1 ZINC000867532208 656079021 /nfs/dbraw/zinc/07/90/21/656079021.db2.gz HNTBNQKPWHTONS-SWLSCSKDSA-N 1 0 395.301 1.403 20 0 GDADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000867632804 656096250 /nfs/dbraw/zinc/09/62/50/656096250.db2.gz XCQLVBXFEILMJJ-UHFFFAOYSA-N 1 0 379.324 1.678 20 0 GDADRO CC(C)[NH+]1CCC(CCNS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000867652847 656099397 /nfs/dbraw/zinc/09/93/97/656099397.db2.gz LVBVDTMYANBHFB-UHFFFAOYSA-N 1 0 375.535 1.170 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC(N3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000867816933 656121122 /nfs/dbraw/zinc/12/11/22/656121122.db2.gz PQFRBPAYOFYAGZ-UHFFFAOYSA-N 1 0 387.933 1.749 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC000867817864 656121296 /nfs/dbraw/zinc/12/12/96/656121296.db2.gz VIHMNTGIVYYJQA-UHFFFAOYSA-N 1 0 375.897 1.880 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000867891599 656130978 /nfs/dbraw/zinc/13/09/78/656130978.db2.gz MIJYDIXHLVUVJU-LSDHHAIUSA-N 1 0 375.535 1.742 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)C1CCSCC1 ZINC000867961865 656135620 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[NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000868303751 656149957 /nfs/dbraw/zinc/14/99/57/656149957.db2.gz NKSSYBPNXSZQAK-AOOOYVTPSA-N 1 0 377.242 1.789 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000868345478 656151363 /nfs/dbraw/zinc/15/13/63/656151363.db2.gz JIJAAYZIHNDIRU-QMMMGPOBSA-N 1 0 385.180 2.000 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000868391589 656153972 /nfs/dbraw/zinc/15/39/72/656153972.db2.gz LVPSHTVDAUUUGJ-QGZVFWFLSA-N 1 0 398.276 1.901 20 0 GDADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2cc(I)nn2C)C1 ZINC000870284022 656226921 /nfs/dbraw/zinc/22/69/21/656226921.db2.gz SXTFRMJXQOPCHA-JTQLQIEISA-N 1 0 393.225 1.291 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2c(Br)cnn2C)cn1 ZINC000870314327 656228699 /nfs/dbraw/zinc/22/86/99/656228699.db2.gz IGXWOJLDWDGJSE-QWHCGFSZSA-N 1 0 395.305 1.268 20 0 GDADRO Cn1nc(I)cc1C(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000870344498 656230512 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GDADRO CC(C)n1ncc(C(=O)N2CCC[C@H](C[NH3+])C2)c1I ZINC000870934172 656256541 /nfs/dbraw/zinc/25/65/41/656256541.db2.gz HBVAMZADQGNQBT-SNVBAGLBSA-N 1 0 376.242 1.880 20 0 GDADRO CC(=O)N[C@@H](C(=O)N1CCCO[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000870946616 656258530 /nfs/dbraw/zinc/25/85/30/656258530.db2.gz TYSZSWXJJWNUKT-HUUCEWRRSA-N 1 0 384.274 1.203 20 0 GDADRO CC(=O)N[C@H](C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)c1cccc(Br)c1 ZINC000870959620 656259028 /nfs/dbraw/zinc/25/90/28/656259028.db2.gz OPSMOXWKTLGEDH-UKPHBRMFSA-N 1 0 380.286 1.966 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000870967042 656259254 /nfs/dbraw/zinc/25/92/54/656259254.db2.gz ZFVHTUUARHMLNN-ATZCPNFKSA-N 1 0 380.242 1.287 20 0 GDADRO O=C(c1ccc(Br)c(O)c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997869 656259653 /nfs/dbraw/zinc/25/96/53/656259653.db2.gz RHFDBSFPZCXPPM-SUHUHFCYSA-N 1 0 396.241 1.162 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N[C@H]2COc3cccc(Br)c3C2)nn1 ZINC000871007449 656260124 /nfs/dbraw/zinc/26/01/24/656260124.db2.gz CZAAKNGZVQXSIJ-SNVBAGLBSA-N 1 0 380.246 1.123 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871003632 656260150 /nfs/dbraw/zinc/26/01/50/656260150.db2.gz AJXQGZLWHRFDDQ-MCIONIFRSA-N 1 0 380.242 1.456 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000871806741 656280224 /nfs/dbraw/zinc/28/02/24/656280224.db2.gz NPHOZAUKUWXWNN-UHFFFAOYSA-N 1 0 388.921 1.507 20 0 GDADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2onc(Cl)c2c1 ZINC000871809155 656280682 /nfs/dbraw/zinc/28/06/82/656280682.db2.gz SPIBVVGQNQNZEY-LLVKDONJSA-N 1 0 385.873 1.918 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c[nH]c2nccc(Cl)c12 ZINC000871809970 656280923 /nfs/dbraw/zinc/28/09/23/656280923.db2.gz HMHZDWDHUGPZDC-NSHDSACASA-N 1 0 384.889 1.653 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1OC(F)F ZINC000871811371 656281303 /nfs/dbraw/zinc/28/13/03/656281303.db2.gz VWGPSXHRWDIOBF-LBPRGKRZSA-N 1 0 376.425 1.725 20 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COC(=O)c1c(F)cccc1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871814433 656282868 /nfs/dbraw/zinc/28/28/68/656282868.db2.gz UPEUDMRYFNLJEE-IUCAKERBSA-N 1 0 384.351 1.370 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871814587 656282902 /nfs/dbraw/zinc/28/29/02/656282902.db2.gz CCEYHHJHGUWWFD-GDZNZVCISA-N 1 0 388.917 1.984 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871815594 656283344 /nfs/dbraw/zinc/28/33/44/656283344.db2.gz KWBZRVFBZGCXBC-XHDPSFHLSA-N 1 0 389.315 1.829 20 0 GDADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000872120147 656318579 /nfs/dbraw/zinc/31/85/79/656318579.db2.gz OHCQUNRCSQXZSZ-WYQXTGKHSA-N 1 0 386.539 1.601 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872185109 656319422 /nfs/dbraw/zinc/31/94/22/656319422.db2.gz HBBQZDHRJHTDQV-WCBMZHEXSA-N 1 0 383.823 1.956 20 0 GDADRO CCS[C@@H]1CCCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000872189416 656319656 /nfs/dbraw/zinc/31/96/56/656319656.db2.gz GYIYCTUCDGCUQO-JHJVBQTASA-N 1 0 381.464 1.716 20 0 GDADRO CN(C[C@H](O)C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)C(=O)OC(C)(C)C ZINC000872246834 656321473 /nfs/dbraw/zinc/32/14/73/656321473.db2.gz NUGXTFCKSRHXGX-NUDNTCICSA-N 1 0 376.519 1.160 20 0 GDADRO O=C(c1ccncc1Br)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872254800 656321751 /nfs/dbraw/zinc/32/17/51/656321751.db2.gz DEVXUMMULJABFM-KGLIPLIRSA-N 1 0 395.257 1.241 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cccc(Br)n1)CN1CC[NH+](C)CC1 ZINC000872455117 656332385 /nfs/dbraw/zinc/33/23/85/656332385.db2.gz LURDLBXZODZRRZ-GFCCVEGCSA-N 1 0 391.335 1.006 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC000872459952 656333429 /nfs/dbraw/zinc/33/34/29/656333429.db2.gz YYPUDCDQMWYKEV-QKFKETGDSA-N 1 0 383.580 1.560 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000872663493 656371919 /nfs/dbraw/zinc/37/19/19/656371919.db2.gz DGSGPZLCVKRMTI-LSDHHAIUSA-N 1 0 385.917 1.865 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1ccc(Br)c(C3CC3)n1)C2 ZINC000873109145 656387102 /nfs/dbraw/zinc/38/71/02/656387102.db2.gz FBWRPVQXDMGPRA-APPDUMDISA-N 1 0 393.285 1.728 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1cc(F)cc(F)c1Br)C2 ZINC000873108723 656387133 /nfs/dbraw/zinc/38/71/33/656387133.db2.gz QQYYGDUZUKOROI-VXJOIVPMSA-N 1 0 388.212 1.734 20 0 GDADRO Cn1cc(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc(Br)c1=O ZINC000873312240 656390404 /nfs/dbraw/zinc/39/04/04/656390404.db2.gz JSMZJUNGYDSPPD-LBPRGKRZSA-N 1 0 399.289 1.428 20 0 GDADRO CCc1ccc(Br)c(NC(=O)C(=O)NCCC[NH2+]CCOC)c1 ZINC000873834674 656421036 /nfs/dbraw/zinc/42/10/36/656421036.db2.gz HIEIXDHNILQSOH-UHFFFAOYSA-N 1 0 386.290 1.692 20 0 GDADRO Cc1csc(C[C@@H]2CCN(S(=O)(=O)CCCN3CC[NH+](C)CC3)C2)n1 ZINC000921963625 656433552 /nfs/dbraw/zinc/43/35/52/656433552.db2.gz UWGPUVGJBNOZGN-INIZCTEOSA-N 1 0 386.587 1.283 20 0 GDADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000873973351 656435303 /nfs/dbraw/zinc/43/53/03/656435303.db2.gz FPQDDYLUFKKKAL-LBPRGKRZSA-N 1 0 398.301 1.657 20 0 GDADRO CCn1c(CNC[C@]2(O)CC[N@H+](C)C2)nc(Br)c1Br ZINC000921999023 656438480 /nfs/dbraw/zinc/43/84/80/656438480.db2.gz QPPIEGAYIJDOQM-GFCCVEGCSA-N 1 0 396.127 1.584 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1Br ZINC000874171457 656448080 /nfs/dbraw/zinc/44/80/80/656448080.db2.gz DFJRXHDVEVFMBX-RISCZKNCSA-N 1 0 396.285 1.949 20 0 GDADRO Cc1cc(C[NH2+]C[C@H](O)Cn2ccnn2)c(C)cc1I ZINC000922178706 656460682 /nfs/dbraw/zinc/46/06/82/656460682.db2.gz REHZRKJHGDINHK-ZDUSSCGKSA-N 1 0 386.237 1.650 20 0 GDADRO CC(C)[NH+]1CCN(CCCC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000922242921 656464143 /nfs/dbraw/zinc/46/41/43/656464143.db2.gz ZCGGLOGRDWOIHO-LBPRGKRZSA-N 1 0 375.382 1.467 20 0 GDADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000874365539 656465470 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NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934263615 657349101 /nfs/dbraw/zinc/34/91/01/657349101.db2.gz PMZBPPUADAMSTP-JYJNAYRXSA-N 1 0 382.302 1.507 20 0 GDADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCCSC[C@H]1C ZINC000934301971 657351517 /nfs/dbraw/zinc/35/15/17/657351517.db2.gz WFVPVEHHJWKWJY-QWHCGFSZSA-N 1 0 383.539 1.439 20 0 GDADRO [NH3+][C@@H](C(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1ccc(Br)cc1 ZINC000884414195 657354744 /nfs/dbraw/zinc/35/47/44/657354744.db2.gz MJRNTJRCYLOKNV-LSDHHAIUSA-N 1 0 395.301 1.855 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1c(Br)cnn1C1CC1 ZINC000934367024 657356489 /nfs/dbraw/zinc/35/64/89/657356489.db2.gz LDPBZSQGMXIJEU-GFCCVEGCSA-N 1 0 386.294 1.949 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000884446366 657357541 /nfs/dbraw/zinc/35/75/41/657357541.db2.gz PECMUVFXFRVFTN-CYBMUJFWSA-N 1 0 385.306 1.342 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884520121 657362724 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GDADRO CC(C)(C)NC(=O)NC(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934498681 657364844 /nfs/dbraw/zinc/36/48/44/657364844.db2.gz CPVSBPLCONAJPM-INIZCTEOSA-N 1 0 386.290 1.871 20 0 GDADRO Cc1ccc(C[C@@H](C)NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)s1 ZINC000884565791 657364997 /nfs/dbraw/zinc/36/49/97/657364997.db2.gz STTBXTYGKWPNMX-SNVBAGLBSA-N 1 0 378.523 1.604 20 0 GDADRO Cc1ccc(C[C@H](C)NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)s1 ZINC000884565790 657365044 /nfs/dbraw/zinc/36/50/44/657365044.db2.gz STTBXTYGKWPNMX-JTQLQIEISA-N 1 0 378.523 1.604 20 0 GDADRO Cc1nc(CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)sc1C ZINC000884568678 657365107 /nfs/dbraw/zinc/36/51/07/657365107.db2.gz RAVPZEKGKUPQAR-GHMZBOCLSA-N 1 0 378.420 1.014 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])Oc1ccc(Br)cc1 ZINC000884621419 657367394 /nfs/dbraw/zinc/36/73/94/657367394.db2.gz IJIOXDGLPOJBLL-NSHDSACASA-N 1 0 386.290 1.576 20 0 GDADRO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)C1 ZINC000884622264 657367860 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Cc1ccc(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1Br ZINC000884711479 657374536 /nfs/dbraw/zinc/37/45/36/657374536.db2.gz PNFYTBJGQZSAMY-QGZVFWFLSA-N 1 0 382.302 1.880 20 0 GDADRO CO[C@H](C[NH2+][C@@H](CO)c1ccccc1I)[C@H]1CCOC1 ZINC000934825397 657379636 /nfs/dbraw/zinc/37/96/36/657379636.db2.gz DEZITOYPQIHFTD-TUKIKUTGSA-N 1 0 391.249 1.966 20 0 GDADRO CO[C@H](C[NH2+][C@@H](CO)c1ccccc1I)[C@@H]1CCOC1 ZINC000934825394 657379767 /nfs/dbraw/zinc/37/97/67/657379767.db2.gz DEZITOYPQIHFTD-BYCMXARLSA-N 1 0 391.249 1.966 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000884952045 657389812 /nfs/dbraw/zinc/38/98/12/657389812.db2.gz KLJOHVPUHGQWLF-RYUDHWBXSA-N 1 0 376.475 1.134 20 0 GDADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000885009332 657401757 /nfs/dbraw/zinc/40/17/57/657401757.db2.gz QSGNRSLOPBTUOL-XJFOESAGSA-N 1 0 380.539 1.406 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ncc(Br)s2)CC1 ZINC000885033192 657411608 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391.287 1.641 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cc2C1 ZINC000903572758 659345485 /nfs/dbraw/zinc/34/54/85/659345485.db2.gz DFXWBVJQEMUTOL-GHMZBOCLSA-N 1 0 397.444 1.163 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)C2 ZINC000903579641 659350153 /nfs/dbraw/zinc/35/01/53/659350153.db2.gz OKEVGUXDZFZYSF-DCAQKATOSA-N 1 0 377.388 1.688 20 0 GDADRO COC(=O)c1cc(F)ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903580040 659350813 /nfs/dbraw/zinc/35/08/13/659350813.db2.gz RUUUOXSQEPCEMF-QWRGUYRKSA-N 1 0 384.351 1.513 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000903583063 659353276 /nfs/dbraw/zinc/35/32/76/659353276.db2.gz BHCXAONCNYIVCJ-HZMBPMFUSA-N 1 0 377.388 1.689 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H]4CC[C@]43C[NH3+])c(Cl)cc21 ZINC000903584679 659353735 /nfs/dbraw/zinc/35/37/35/659353735.db2.gz LFXKVOPRNKKYOT-DYVFJYSZSA-N 1 0 383.901 1.751 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c1F ZINC000903586730 659354618 /nfs/dbraw/zinc/35/46/18/659354618.db2.gz VVJBVFTUAMSBHJ-BJOHPYRUSA-N 1 0 376.837 1.768 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903587583 659354939 /nfs/dbraw/zinc/35/49/39/659354939.db2.gz XILQXCOEABYCCW-LBPRGKRZSA-N 1 0 391.287 1.594 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c(Cl)s1 ZINC000903588412 659355409 /nfs/dbraw/zinc/35/54/09/659355409.db2.gz GNMZAWNIYQPFLY-UFBFGSQYSA-N 1 0 384.932 1.307 20 0 GDADRO CN(C)[S@](C)(=O)=NS(=O)(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000903599209 659359157 /nfs/dbraw/zinc/35/91/57/659359157.db2.gz XBBUOZXWQQATGF-XMMPIXPASA-N 1 0 388.559 1.946 20 0 GDADRO CN(CCS(=O)(=O)c1cccc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000903808421 659382188 /nfs/dbraw/zinc/38/21/88/659382188.db2.gz JVNSZWXPAKDEDQ-UHFFFAOYSA-N 1 0 391.331 1.663 20 0 GDADRO O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]21 ZINC000903870842 659385983 /nfs/dbraw/zinc/38/59/83/659385983.db2.gz LKQNWAVNWVAJFR-GBJTYRQASA-N 1 0 382.448 1.197 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1cc(Cl)ccc1Br ZINC000903967975 659390394 /nfs/dbraw/zinc/39/03/94/659390394.db2.gz ICCUWRWUWYOYFP-GFCCVEGCSA-N 1 0 381.723 1.969 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1nc3ccccn3c1Br)C2 ZINC000903977510 659391631 /nfs/dbraw/zinc/39/16/31/659391631.db2.gz RFPBKOYAOMLBMY-JKDFXYPNSA-N 1 0 393.285 1.809 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000904278791 659398556 /nfs/dbraw/zinc/39/85/56/659398556.db2.gz MOUSAQSTXLBEGD-JTQLQIEISA-N 1 0 386.246 1.672 20 0 GDADRO O=C(Nc1cc(N2CCOCC2)c(Br)cn1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904494412 659402487 /nfs/dbraw/zinc/40/24/87/659402487.db2.gz LQQAVNXLCPMBTJ-KGYLQXTDSA-N 1 0 396.289 1.695 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(I)cc1F ZINC000904520839 659402880 /nfs/dbraw/zinc/40/28/80/659402880.db2.gz LGYKVKZNBROCGL-JTQLQIEISA-N 1 0 393.200 1.882 20 0 GDADRO CC(C)OCCCc1noc(-c2cc(Br)cn(CC[NH3+])c2=O)n1 ZINC000904615570 659404138 /nfs/dbraw/zinc/40/41/38/659404138.db2.gz LIHQNHFNTQZHBD-UHFFFAOYSA-N 1 0 385.262 1.977 20 0 GDADRO [NH3+]CCN1CCC[C@@H](c2nc(-c3nc(Br)ccc3F)no2)C1=O ZINC000904710153 659406218 /nfs/dbraw/zinc/40/62/18/659406218.db2.gz ZDQXWUAFYSIVIL-QMMMGPOBSA-N 1 0 384.209 1.698 20 0 GDADRO Cc1nc(CC[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)cs1 ZINC000905025213 659417675 /nfs/dbraw/zinc/41/76/75/659417675.db2.gz OWPCFLCHKUVQGU-AWEZNQCLSA-N 1 0 375.560 1.585 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905024347 659417745 /nfs/dbraw/zinc/41/77/45/659417745.db2.gz LMPUWEITEQHSSZ-CZUORRHYSA-N 1 0 387.274 1.188 20 0 GDADRO Cc1csc(CC[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)n1 ZINC000905042578 659418698 /nfs/dbraw/zinc/41/86/98/659418698.db2.gz ZLMGVKDXBQWTPL-ZDUSSCGKSA-N 1 0 375.560 1.585 20 0 GDADRO CC1CCN(CC[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905049821 659419230 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CC(C)C(=O)N1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735683660 944688676 /nfs/dbraw/zinc/68/86/76/944688676.db2.gz BYXRVFIVDHWKSI-UHFFFAOYSA-N 1 0 385.472 1.386 20 0 GDADRO Cc1noc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001571260630 945421189 /nfs/dbraw/zinc/42/11/89/945421189.db2.gz XTFBTMJHLSIQRB-CMPLNLGQSA-N 1 0 385.432 1.089 20 0 GDADRO CCOC1CC(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571263984 945471981 /nfs/dbraw/zinc/47/19/81/945471981.db2.gz DCNIROGQKUAPLQ-SHARSMKWSA-N 1 0 385.472 1.210 20 0 GDADRO Cc1cc(NC[C@@H]2CCN(C(=O)C3(C)CCOCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571265265 945505272 /nfs/dbraw/zinc/50/52/72/945505272.db2.gz FBFAGPBVZOEWCI-AWEZNQCLSA-N 1 0 385.472 1.069 20 0 GDADRO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C)n1cccc1 ZINC001571265822 945520887 /nfs/dbraw/zinc/52/08/87/945520887.db2.gz PUGHSISQKNIWDU-UMVBOHGHSA-N 1 0 385.497 1.927 20 0 GDADRO 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Cc1cc(NC[C@H]2CCCN2C(=O)CC[C@@H]2CCCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266512 945545870 /nfs/dbraw/zinc/54/58/70/945545870.db2.gz SRBYLJWIYWUUIU-CABCVRRESA-N 1 0 385.472 1.354 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)c1cnon1 ZINC001571268218 945589900 /nfs/dbraw/zinc/58/99/00/945589900.db2.gz OMFOAZXSSCUXNS-UHFFFAOYSA-N 1 0 386.391 1.220 20 0 GDADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571268716 945602220 /nfs/dbraw/zinc/60/22/20/945602220.db2.gz IMFAPXHLKYAWEZ-HWMZRRJGSA-N 1 0 386.431 1.264 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)CCn1cccn1 ZINC001571271656 945647089 /nfs/dbraw/zinc/64/70/89/945647089.db2.gz GTWNGTOTNLLELY-OLZOCXBDSA-N 1 0 386.485 1.294 20 0 GDADRO Cc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)s1 ZINC001571272120 945656163 /nfs/dbraw/zinc/65/61/63/945656163.db2.gz PXAWFGWRKNOLRN-GFCCVEGCSA-N 1 0 386.485 1.602 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2cc[nH]n2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571272331 945659687 /nfs/dbraw/zinc/65/96/87/945659687.db2.gz SCMSAPNCDYVEDE-RISCZKNCSA-N 1 0 386.485 1.221 20 0 GDADRO Cc1ncc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n1C ZINC001571272319 945660411 /nfs/dbraw/zinc/66/04/11/945660411.db2.gz RUPXFXLLFCLYSU-LBPRGKRZSA-N 1 0 386.485 1.365 20 0 GDADRO O=C(Cn1ccnc1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272546 945665924 /nfs/dbraw/zinc/66/59/24/945665924.db2.gz WAIWXJMXGOIEQR-CYBMUJFWSA-N 1 0 386.485 1.153 20 0 GDADRO CC[C@@H](C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[nH]n3)nc2)C1)[NH+](C)C ZINC001571272753 945669371 /nfs/dbraw/zinc/66/93/71/945669371.db2.gz ZJDANDBXDIFVRJ-PBHICJAKSA-N 1 0 386.504 1.277 20 0 GDADRO O=C(NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cc(Cl)c[nH]1 ZINC001571274143 945694359 /nfs/dbraw/zinc/69/43/59/945694359.db2.gz CIHBTULPKQPLPD-UHFFFAOYSA-N 1 0 386.847 1.890 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC001571274613 945699449 /nfs/dbraw/zinc/69/94/49/945699449.db2.gz IWWDGJDMMHZLRN-QLJPJBMISA-N 1 0 387.394 1.723 20 0 GDADRO CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000821569799 945718401 /nfs/dbraw/zinc/71/84/01/945718401.db2.gz WLYVQMDFGCBDHR-UHFFFAOYSA-N 1 0 392.467 1.437 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@]2(C1)CN(C(C)=O)C[C@H](C)O2 ZINC001571278369 945750827 /nfs/dbraw/zinc/75/08/27/945750827.db2.gz MZKBRUXEQUDFGX-ORAYPTAESA-N 1 0 386.456 1.087 20 0 GDADRO CNC(=O)[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821629859 945758112 /nfs/dbraw/zinc/75/81/12/945758112.db2.gz DWXZGOQZHAXNJB-JTQLQIEISA-N 1 0 379.852 1.163 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC[N@@H+]1CCC1CCOCC1 ZINC001571281109 945798611 /nfs/dbraw/zinc/79/86/11/945798611.db2.gz CKBFLTGXLNQHMN-HIFRSBDPSA-N 1 0 387.488 1.594 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1ccc(F)cn1 ZINC001571282744 945858264 /nfs/dbraw/zinc/85/82/64/945858264.db2.gz PMCUPXPQPLSCNM-KLPPZKSPSA-N 1 0 387.444 1.761 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1cncs1 ZINC001571282819 945862503 /nfs/dbraw/zinc/86/25/03/945862503.db2.gz RXRIRHWJFNQPBM-UHFFFAOYSA-N 1 0 387.444 1.761 20 0 GDADRO CO[C@H](C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)C1CCCC1 ZINC001571283172 945879890 /nfs/dbraw/zinc/87/98/90/945879890.db2.gz ASKVPHHEOMDAMG-CXAGYDPISA-N 1 0 387.488 1.452 20 0 GDADRO CO[C@@H](C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)C1CCCC1 ZINC001571283174 945880640 /nfs/dbraw/zinc/88/06/40/945880640.db2.gz ASKVPHHEOMDAMG-GUYCJALGSA-N 1 0 387.488 1.452 20 0 GDADRO O=C(NC[C@@H]1CCCCC[N@@H+]1CCOC1CCC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571283578 945887810 /nfs/dbraw/zinc/88/78/10/945887810.db2.gz GKXWUKXQNAFZFP-HNNXBMFYSA-N 1 0 387.488 1.738 20 0 GDADRO CO[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001571283905 945892283 /nfs/dbraw/zinc/89/22/83/945892283.db2.gz KPTDDBAORCJKFC-IFXJQAMLSA-N 1 0 387.488 1.548 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](CC2CCCCCC2)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571284556 945901812 /nfs/dbraw/zinc/90/18/12/945901812.db2.gz QVEDOXRQYWOWIB-WBVHZDCISA-N 1 0 387.488 1.330 20 0 GDADRO COC[C@H](C)[N@@H+]1CC[C@@H](C2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001571284937 945907351 /nfs/dbraw/zinc/90/73/51/945907351.db2.gz XDVZUPOHHQVKSS-DZGCQCFKSA-N 1 0 387.488 1.404 20 0 GDADRO O=C([C@H]1CC1(F)F)N1CC2(C1)CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571286197 945940721 /nfs/dbraw/zinc/94/07/21/945940721.db2.gz AOCDYFDOOFSMDQ-OAHLLOKOSA-N 1 0 388.422 1.946 20 0 GDADRO CC[C@H]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)O1 ZINC001571287392 945970676 /nfs/dbraw/zinc/97/06/76/945970676.db2.gz CRHJWBLXNTXMKS-AYMQEEERSA-N 1 0 388.447 1.700 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H](F)C2)C1 ZINC001571287804 945977182 /nfs/dbraw/zinc/97/71/82/945977182.db2.gz IFZBKRDGOTVMTA-QCEMKRCNSA-N 1 0 388.447 1.750 20 0 GDADRO CC1(CC(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001571287864 945980122 /nfs/dbraw/zinc/98/01/22/945980122.db2.gz JXRZENOBURGRBP-HNNXBMFYSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(CC1(O)CCC1)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571288293 945985671 /nfs/dbraw/zinc/98/56/71/945985671.db2.gz NNHHHMMEAYEMHO-ZDUSSCGKSA-N 1 0 388.447 1.249 20 0 GDADRO CC[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)O1 ZINC001571288525 945989171 /nfs/dbraw/zinc/98/91/71/945989171.db2.gz PWELGOBGCJGXFL-VMUDFCTBSA-N 1 0 388.447 1.700 20 0 GDADRO CO[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571288727 945991150 /nfs/dbraw/zinc/99/11/50/945991150.db2.gz RXVBMJPJIIGXTI-YOEHRIQHSA-N 1 0 388.447 1.464 20 0 GDADRO C[C@H]1CO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571288916 945992668 /nfs/dbraw/zinc/99/26/68/945992668.db2.gz ULTQZAZRLVFUBM-LSCFUAHRSA-N 1 0 388.447 1.415 20 0 GDADRO CN(C(=O)C[C@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288921 945995232 /nfs/dbraw/zinc/99/52/32/945995232.db2.gz UNCNMCCMQRYSMD-CABCVRRESA-N 1 0 388.447 1.465 20 0 GDADRO COC1CC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571289165 945996257 /nfs/dbraw/zinc/99/62/57/945996257.db2.gz WGBGPOMTRWHHEC-GZBQPARGSA-N 1 0 388.447 1.415 20 0 GDADRO O=C([C@@H]1CCCOC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571289177 945997992 /nfs/dbraw/zinc/99/79/92/945997992.db2.gz WKDAVWKTGMVCCP-HZPDHXFCSA-N 1 0 388.447 1.513 20 0 GDADRO CN(C(=O)C1(F)CCOCC1)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571289307 946000328 /nfs/dbraw/zinc/00/03/28/946000328.db2.gz ZKLBCTDGEFIOFB-MRXNPFEDSA-N 1 0 388.447 1.418 20 0 GDADRO COc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)sn1 ZINC001571289711 946015657 /nfs/dbraw/zinc/01/56/57/946015657.db2.gz KUQIFGAPYLCETF-NSHDSACASA-N 1 0 388.457 1.054 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CC[C@H](CCNc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001571289703 946015946 /nfs/dbraw/zinc/01/59/46/946015946.db2.gz KPMKVZPMFGRIIC-ZDUSSCGKSA-N 1 0 388.451 1.147 20 0 GDADRO Cn1cc(C[C@@H]2CC[N@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)cn1 ZINC000822674419 946151403 /nfs/dbraw/zinc/15/14/03/946151403.db2.gz SNMYCFUAZKWYBK-ZDUSSCGKSA-N 1 0 391.439 1.715 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC001573478953 946153989 /nfs/dbraw/zinc/15/39/89/946153989.db2.gz ZLBFPIYTOSFRRS-BLLLJJGKSA-N 1 0 387.488 1.012 20 0 GDADRO CN(C(=O)Cc1cncs1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295247 946157328 /nfs/dbraw/zinc/15/73/28/946157328.db2.gz QZIKHUMWQXUPAV-LLVKDONJSA-N 1 0 389.510 1.660 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC001571295302 946158988 /nfs/dbraw/zinc/15/89/88/946158988.db2.gz XEDOZJPMXIJVTF-CYBMUJFWSA-N 1 0 389.822 1.992 20 0 GDADRO O=C(NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1Cc2cccnc2C1 ZINC001571295521 946167561 /nfs/dbraw/zinc/16/75/61/946167561.db2.gz WKYYDIZYRHGNKV-QGZVFWFLSA-N 1 0 389.463 1.225 20 0 GDADRO CC[C@H](C(=O)N1CC[C@@H](CN(C)c2cccc(F)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571295501 946167728 /nfs/dbraw/zinc/16/77/28/946167728.db2.gz VNZSTPGHCQRBDR-DZGCQCFKSA-N 1 0 389.479 1.631 20 0 GDADRO O=C(N[C@]12CCC[C@@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2)c1cncnc1 ZINC001571298245 946211367 /nfs/dbraw/zinc/21/13/67/946211367.db2.gz LDAAATSRVLVPPP-PXNSSMCTSA-N 1 0 390.451 1.584 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1n[nH]cc1F ZINC001571298342 946214336 /nfs/dbraw/zinc/21/43/36/946214336.db2.gz FBALXNSXKFWVBK-VHSXEESVSA-N 1 0 390.448 1.621 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001571298596 946222900 /nfs/dbraw/zinc/22/29/00/946222900.db2.gz BJUUSYFCXVYYRP-KDOFPFPSSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1csnn1 ZINC001571298743 946227699 /nfs/dbraw/zinc/22/76/99/946227699.db2.gz QHQUCWXPOAHEHD-ZJUUUORDSA-N 1 0 390.498 1.563 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cncnc1C1CC1 ZINC001571299034 946238457 /nfs/dbraw/zinc/23/84/57/946238457.db2.gz SXSZBKOHLUGHQV-HNNXBMFYSA-N 1 0 390.451 1.538 20 0 GDADRO C[C@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571299702 946258885 /nfs/dbraw/zinc/25/88/85/946258885.db2.gz OQRIUVWYDQKOAX-TZMCWYRMSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)[C@H]1CCCO1 ZINC001571299865 946265231 /nfs/dbraw/zinc/26/52/31/946265231.db2.gz PSNVMFIEVSXOEM-SWLSCSKDSA-N 1 0 390.513 1.824 20 0 GDADRO Cc1nsc(N2CCC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571300250 946277217 /nfs/dbraw/zinc/27/72/17/946277217.db2.gz XVDMWYFZCBTNCU-QWHCGFSZSA-N 1 0 390.517 1.201 20 0 GDADRO Cc1nsc(N2CCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571300251 946277343 /nfs/dbraw/zinc/27/73/43/946277343.db2.gz XVDMWYFZCBTNCU-STQMWFEESA-N 1 0 390.517 1.201 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2CC23CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC3)nn1 ZINC001571303012 946319985 /nfs/dbraw/zinc/31/99/85/946319985.db2.gz JFIVMAKLJBUQEC-MRXNPFEDSA-N 1 0 391.439 1.149 20 0 GDADRO O=C([C@H]1Cc2ccccc2O1)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571303586 946341082 /nfs/dbraw/zinc/34/10/82/946341082.db2.gz NVKJWLVQDCRNBP-GOSISDBHSA-N 1 0 391.435 1.090 20 0 GDADRO Cc1ncccc1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571305511 946363227 /nfs/dbraw/zinc/36/32/27/946363227.db2.gz CSNIXTMGAXUPSM-GOSISDBHSA-N 1 0 391.479 1.893 20 0 GDADRO O=C(NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cc2c([nH]1)CCC2 ZINC001571306395 946400689 /nfs/dbraw/zinc/40/06/89/946400689.db2.gz VFZYLEPXJSJFIB-UHFFFAOYSA-N 1 0 391.479 1.982 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@@]1(F)CCOC1 ZINC001571308918 946437160 /nfs/dbraw/zinc/43/71/60/946437160.db2.gz VXGHUYMGIHZFIN-SNUQEOBHSA-N 1 0 392.410 1.119 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC001571310619 946477376 /nfs/dbraw/zinc/47/73/76/946477376.db2.gz KWDWNKSRJYCKHE-HOCLYGCPSA-N 1 0 392.467 1.360 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCN(C(=O)c2ccncn2)CC1 ZINC001571311186 946482629 /nfs/dbraw/zinc/48/26/29/946482629.db2.gz SLAPXDIYVNTYGP-AWEZNQCLSA-N 1 0 392.467 1.687 20 0 GDADRO CO[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)Cc1ccccc1 ZINC001571311558 946489868 /nfs/dbraw/zinc/48/98/68/946489868.db2.gz ZTCGSXOJVXYXOS-RTBURBONSA-N 1 0 392.463 1.425 20 0 GDADRO CC(=O)N1CC[C@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)[C@H](C)C1 ZINC000823972418 946529950 /nfs/dbraw/zinc/52/99/50/946529950.db2.gz ANPZAUHZQPGBPD-QRWLVFNGSA-N 1 0 397.527 1.678 20 0 GDADRO Cc1cc(N[C@@H]2CCCN(C(=O)Cc3cnccc3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314774 946544707 /nfs/dbraw/zinc/54/47/07/946544707.db2.gz CNDJTSQTCADNKI-MRXNPFEDSA-N 1 0 392.467 1.341 20 0 GDADRO Cc1cc(C(=O)N[C@]2(C)CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571315385 946552565 /nfs/dbraw/zinc/55/25/65/946552565.db2.gz IYVSRLYCCYAGSC-HXUWFJFHSA-N 1 0 392.467 1.981 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)cnn1 ZINC001571315591 946556182 /nfs/dbraw/zinc/55/61/82/946556182.db2.gz LYDFXRCRUWPQBY-KDOFPFPSSA-N 1 0 392.467 1.748 20 0 GDADRO Cc1cc(C)c(C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@@]3(C)C2)[nH]1 ZINC001571316001 946563429 /nfs/dbraw/zinc/56/34/29/946563429.db2.gz RDNNYUPCTWHCTE-VLIAUNLRSA-N 1 0 392.467 1.805 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)nn1 ZINC001571316067 946564253 /nfs/dbraw/zinc/56/42/53/946564253.db2.gz SYADUNMUVUKQQI-RHSMWYFYSA-N 1 0 392.467 1.748 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC001571316095 946566520 /nfs/dbraw/zinc/56/65/20/946566520.db2.gz UBHCQKSKPCQREE-UHFFFAOYSA-N 1 0 392.467 1.636 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nn[nH]n4)C[C@H]32)c(C)[nH]1 ZINC001571316246 946570725 /nfs/dbraw/zinc/57/07/25/946570725.db2.gz XILIBSGYOMURJI-XGBSXSJOSA-N 1 0 392.467 1.627 20 0 GDADRO Cn1nccc1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316378 946573988 /nfs/dbraw/zinc/57/39/88/946573988.db2.gz BCFOPUWZNNXPDO-SJORKVTESA-N 1 0 392.467 1.337 20 0 GDADRO Cc1nccc(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571316385 946574345 /nfs/dbraw/zinc/57/43/45/946574345.db2.gz BFHPMKYDMFHTJE-DYVFJYSZSA-N 1 0 392.467 1.463 20 0 GDADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316521 946580076 /nfs/dbraw/zinc/58/00/76/946580076.db2.gz FMPPAGCFRMYRSL-GVDBMIGSSA-N 1 0 392.467 1.094 20 0 GDADRO Cc1cnc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001571316633 946582102 /nfs/dbraw/zinc/58/21/02/946582102.db2.gz ITBGCAOMARHQDJ-KRWDZBQOSA-N 1 0 392.467 1.750 20 0 GDADRO Cc1nnccc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316750 946586355 /nfs/dbraw/zinc/58/63/55/946586355.db2.gz LMEIMOKXHYHKBR-CXAGYDPISA-N 1 0 392.467 1.748 20 0 GDADRO Cn1nccc1C(=O)N1CCC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571316994 946594961 /nfs/dbraw/zinc/59/49/61/946594961.db2.gz RKQDDWNGRCBJKF-MAUKXSAKSA-N 1 0 392.467 1.337 20 0 GDADRO CO[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](C)C1)C(C)C ZINC001571317308 946606646 /nfs/dbraw/zinc/60/66/46/946606646.db2.gz BTKBNBJMMYTKEM-XJKCOSOUSA-N 1 0 392.529 1.783 20 0 GDADRO O=C(c1cc2n(c1)CCCC2)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571317614 946616039 /nfs/dbraw/zinc/61/60/39/946616039.db2.gz OJCFZUPCHXLUHU-INIZCTEOSA-N 1 0 392.467 1.538 20 0 GDADRO CC[C@H](C(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571317822 946621716 /nfs/dbraw/zinc/62/17/16/946621716.db2.gz WIPVNKMLCJTVED-SJKOYZFVSA-N 1 0 392.533 1.622 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC000824413376 946695689 /nfs/dbraw/zinc/69/56/89/946695689.db2.gz LEAOHOQDBBXKAP-CQSZACIVSA-N 1 0 380.456 1.310 20 0 GDADRO C[C@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCOCC1 ZINC000824428443 946705637 /nfs/dbraw/zinc/70/56/37/946705637.db2.gz RXUJTTWGFYFUPD-MRXNPFEDSA-N 1 0 385.516 1.141 20 0 GDADRO C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[nH]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824506083 946751387 /nfs/dbraw/zinc/75/13/87/946751387.db2.gz LAOQHYQGWCOPPS-UKRRQHHQSA-N 1 0 395.471 1.632 20 0 GDADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824599249 946852085 /nfs/dbraw/zinc/85/20/85/946852085.db2.gz MTCCRZIOSGWHRT-AWEZNQCLSA-N 1 0 386.481 1.637 20 0 GDADRO CC(=O)Nc1cccc2c1CC[N@H+](C[C@H](O)c1cccc(-c3nn[nH]n3)c1)C2 ZINC001573548948 946862431 /nfs/dbraw/zinc/86/24/31/946862431.db2.gz XZJPCGVNFPFDRQ-IBGZPJMESA-N 1 0 378.436 1.917 20 0 GDADRO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824807773 946939126 /nfs/dbraw/zinc/93/91/26/946939126.db2.gz NBRNHMIMGSRQEO-UHFFFAOYSA-N 1 0 397.483 1.528 20 0 GDADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825066251 947063314 /nfs/dbraw/zinc/06/33/14/947063314.db2.gz AMIYLWCTNKHJJV-CABCVRRESA-N 1 0 385.516 1.724 20 0 GDADRO CC[C@H](O)C[NH+]1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825153581 947101904 /nfs/dbraw/zinc/10/19/04/947101904.db2.gz INGNTXYGWGMHLC-SFHVURJKSA-N 1 0 396.499 1.156 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000825390208 947171205 /nfs/dbraw/zinc/17/12/05/947171205.db2.gz AUAQQGPUMDIELB-YJBOKZPZSA-N 1 0 383.500 1.636 20 0 GDADRO C=C/C(C)=C/CC(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573316039 947267236 /nfs/dbraw/zinc/26/72/36/947267236.db2.gz FOCBGTLFCGFGKN-DTHCKZEYSA-N 1 0 383.456 1.154 20 0 GDADRO C[C@@H](C(=O)N(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573592956 947355358 /nfs/dbraw/zinc/35/53/58/947355358.db2.gz GSXLTCYKSRTGMO-SUMWQHHRSA-N 1 0 380.456 1.395 20 0 GDADRO C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCO1 ZINC001573595152 947414866 /nfs/dbraw/zinc/41/48/66/947414866.db2.gz FTNHUKPFGJGTHF-YJBOKZPZSA-N 1 0 386.500 1.962 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccccc2F)c1-c1nn[nH]n1 ZINC000826073473 947424633 /nfs/dbraw/zinc/42/46/33/947424633.db2.gz UBBZFYVNKRVPPI-UHFFFAOYSA-N 1 0 394.361 1.611 20 0 GDADRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C ZINC000826132400 947447042 /nfs/dbraw/zinc/44/70/42/947447042.db2.gz FCIHLYUZFNFEAM-DAXOMENPSA-N 1 0 384.440 1.103 20 0 GDADRO C[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[nH]n2)nc1)[NH+]1CCCCCC1 ZINC001573603710 947494884 /nfs/dbraw/zinc/49/48/84/947494884.db2.gz OTASPSKDSBANJI-HNNXBMFYSA-N 1 0 386.504 1.421 20 0 GDADRO COCC[N@H+](CCC(=O)OC)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826157992 947496418 /nfs/dbraw/zinc/49/64/18/947496418.db2.gz VEULGTGRNDSTOX-UHFFFAOYSA-N 1 0 399.455 1.279 20 0 GDADRO CC(C(=O)N1C[C@@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)=C1CCC1 ZINC001573607538 947548909 /nfs/dbraw/zinc/54/89/09/947548909.db2.gz OKNMQMJDHKYWQQ-WBMJQRKESA-N 1 0 381.484 1.999 20 0 GDADRO C[C@@H](C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573617349 947635115 /nfs/dbraw/zinc/63/51/15/947635115.db2.gz OWRMLESMKYPCEX-JTQLQIEISA-N 1 0 383.378 1.675 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001573354811 947636868 /nfs/dbraw/zinc/63/68/68/947636868.db2.gz HYYLIQLEDJRPLF-GOSISDBHSA-N 1 0 378.436 1.390 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573618425 947650247 /nfs/dbraw/zinc/65/02/47/947650247.db2.gz SAABLXFCQHBJIF-ZIAGYGMSSA-N 1 0 381.444 1.004 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573619742 947668978 /nfs/dbraw/zinc/66/89/78/947668978.db2.gz XNKUJYUKPUSORI-KDOFPFPSSA-N 1 0 377.452 1.756 20 0 GDADRO C[C@@H](C(=O)N1CCC(N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573619664 947669707 /nfs/dbraw/zinc/66/97/07/947669707.db2.gz XBQPUNMNAKWPJQ-DYVFJYSZSA-N 1 0 385.472 1.504 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573623596 947687507 /nfs/dbraw/zinc/68/75/07/947687507.db2.gz GSCGLVJAIXKBOS-RDTXWAMCSA-N 1 0 377.452 1.756 20 0 GDADRO CC(=O)CCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573366280 947738038 /nfs/dbraw/zinc/73/80/38/947738038.db2.gz PCKNDMROOSIDDF-LBPRGKRZSA-N 1 0 376.436 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573367483 947760128 /nfs/dbraw/zinc/76/01/28/947760128.db2.gz DDRDJYAVNDRVNY-CRAIPNDOSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573369863 947777640 /nfs/dbraw/zinc/77/76/40/947777640.db2.gz YPDJEAOYAUFIFU-IBGZPJMESA-N 1 0 385.472 1.402 20 0 GDADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cccn1 ZINC001573637741 947821040 /nfs/dbraw/zinc/82/10/40/947821040.db2.gz OWELBAUPUQXRFJ-HNNXBMFYSA-N 1 0 380.456 1.359 20 0 GDADRO CC(=O)CCCC(=O)N[C@H](C)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573376850 947841746 /nfs/dbraw/zinc/84/17/46/947841746.db2.gz ZJUWZCKGSFAIBG-GFCCVEGCSA-N 1 0 376.436 1.702 20 0 GDADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC1 ZINC001573641737 947856786 /nfs/dbraw/zinc/85/67/86/947856786.db2.gz NAMTYJNJXGJFCF-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO CC(=O)CCCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCCC1 ZINC001573380294 947857565 /nfs/dbraw/zinc/85/75/65/947857565.db2.gz AKBQYEONEYICCM-UHFFFAOYSA-N 1 0 385.472 1.674 20 0 GDADRO CC(=O)CCCC(=O)NCC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573380745 947862724 /nfs/dbraw/zinc/86/27/24/947862724.db2.gz HGVOHYKXOFCKFS-UHFFFAOYSA-N 1 0 385.472 1.744 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1CCCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573380891 947865132 /nfs/dbraw/zinc/86/51/32/947865132.db2.gz JIEWEZISKNMOAA-OAHLLOKOSA-N 1 0 385.472 1.805 20 0 GDADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573644041 947867689 /nfs/dbraw/zinc/86/76/89/947867689.db2.gz XGRVSKBSDOYRLS-WFASDCNBSA-N 1 0 388.447 1.369 20 0 GDADRO CC(=O)CCCC(=O)NCC1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573382863 947887694 /nfs/dbraw/zinc/88/76/94/947887694.db2.gz LNFFBAWEWFZQQL-UHFFFAOYSA-N 1 0 385.472 1.662 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)n1cccc1 ZINC001573647260 947889214 /nfs/dbraw/zinc/88/92/14/947889214.db2.gz GKGBRDIEHMHCKB-KFWWJZLASA-N 1 0 378.440 1.219 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573383476 947893395 /nfs/dbraw/zinc/89/33/95/947893395.db2.gz SIAMAWTZUMJRJG-SAZUREKKSA-N 1 0 388.447 1.750 20 0 GDADRO Cc1nccn1CCC[N@@H+](C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826331091 947963571 /nfs/dbraw/zinc/96/35/71/947963571.db2.gz UNTQTSKVYKKXEO-GOSISDBHSA-N 1 0 394.483 1.889 20 0 GDADRO Cc1onc(CC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826347098 948049559 /nfs/dbraw/zinc/04/95/59/948049559.db2.gz FDJWACCRZRQRDR-CYBMUJFWSA-N 1 0 383.456 1.732 20 0 GDADRO Cc1onc(CC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826347551 948055751 /nfs/dbraw/zinc/05/57/51/948055751.db2.gz VDJDMIUAQYLTEG-INIZCTEOSA-N 1 0 395.467 1.386 20 0 GDADRO Cc1onc(CC(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1-c1nn[nH]n1 ZINC000826348920 948085877 /nfs/dbraw/zinc/08/58/77/948085877.db2.gz LYSBVPGVNLDBJX-UHFFFAOYSA-N 1 0 382.428 1.096 20 0 GDADRO C[C@H](C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573666596 948088185 /nfs/dbraw/zinc/08/81/85/948088185.db2.gz UKMJQRCJSCSGPL-KPPDAEKUSA-N 1 0 383.378 1.721 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573666700 948088773 /nfs/dbraw/zinc/08/87/73/948088773.db2.gz VMASKFPRCBDIJR-KBPBESRZSA-N 1 0 381.444 1.195 20 0 GDADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)n1cccn1 ZINC001573670282 948101289 /nfs/dbraw/zinc/10/12/89/948101289.db2.gz ANSCASCOHDPNTL-GFCCVEGCSA-N 1 0 386.485 1.467 20 0 GDADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCCO1 ZINC001573672081 948107729 /nfs/dbraw/zinc/10/77/29/948107729.db2.gz GIBVHTJNEQARDJ-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cn3ccccc3c2-c2nn[nH]n2)cn1 ZINC000826359483 948115755 /nfs/dbraw/zinc/11/57/55/948115755.db2.gz IMSZHKQXBGZRPT-FUHWJXTLSA-N 1 0 392.467 1.941 20 0 GDADRO Cn1cc(C[NH+]2CCC(CCC(N)=O)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360366 948121239 /nfs/dbraw/zinc/12/12/39/948121239.db2.gz IAUZPIMVAWURCE-UHFFFAOYSA-N 1 0 394.483 1.745 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccsc1 ZINC001573677920 948143884 /nfs/dbraw/zinc/14/38/84/948143884.db2.gz BHLRMWHNNQSERM-DOMZBBRYSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC001573679916 948169147 /nfs/dbraw/zinc/16/91/47/948169147.db2.gz KIFSHWWZQVGCBO-MLGOLLRUSA-N 1 0 386.481 1.299 20 0 GDADRO CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573432631 948191415 /nfs/dbraw/zinc/19/14/15/948191415.db2.gz HKOIWQBFZZAVOV-GXTWGEPZSA-N 1 0 386.353 1.895 20 0 GDADRO O=C(C[N@@H+]1CC[C@@H](COc2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410815 948247931 /nfs/dbraw/zinc/24/79/31/948247931.db2.gz ZHSYHAQWTDTSCJ-QGZVFWFLSA-N 1 0 392.463 1.884 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CCCC1 ZINC001573691820 948248433 /nfs/dbraw/zinc/24/84/33/948248433.db2.gz KBKPOGXYTUKKFV-BLLLJJGKSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCCC1 ZINC001573692069 948254658 /nfs/dbraw/zinc/25/46/58/948254658.db2.gz MIOVFPNDORXDBG-MLGOLLRUSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1)[C@@H]1CCCO1 ZINC001573692431 948264304 /nfs/dbraw/zinc/26/43/04/948264304.db2.gz PQPADTKDAGZORD-LRDDRELGSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cccs1 ZINC001573694433 948294083 /nfs/dbraw/zinc/29/40/83/948294083.db2.gz VMCPHBSOSISXSG-QWRGUYRKSA-N 1 0 392.510 1.360 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-c2nn[nH]n2)cn1 ZINC000826443182 948305123 /nfs/dbraw/zinc/30/51/23/948305123.db2.gz DRJFFNUWEFWDAF-KRWDZBQOSA-N 1 0 393.451 1.148 20 0 GDADRO O=C1[C@H]([NH+]2CCC(n3cccn3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476675 948383530 /nfs/dbraw/zinc/38/35/30/948383530.db2.gz MLPDZSFLBBLQKO-GOSISDBHSA-N 1 0 392.467 1.896 20 0 GDADRO C[C@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573705506 948401796 /nfs/dbraw/zinc/40/17/96/948401796.db2.gz FSJWPGHHDMJXAX-BBRMVZONSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCC1(F)F)C1CC1 ZINC001573707075 948428571 /nfs/dbraw/zinc/42/85/71/948428571.db2.gz MAGOSSQDGMYAOB-WCQYABFASA-N 1 0 391.426 1.886 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001135842141 948472330 /nfs/dbraw/zinc/47/23/30/948472330.db2.gz FGLCSWQUUPEKCU-HXUWFJFHSA-N 1 0 378.436 1.832 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573729101 948564742 /nfs/dbraw/zinc/56/47/42/948564742.db2.gz GNWUWVOCWVKPPF-ZOBUZTSGSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@H]1CCCO1 ZINC001573751556 948702857 /nfs/dbraw/zinc/70/28/57/948702857.db2.gz BKDNKBDZIHMELL-JIRONKKISA-N 1 0 388.447 1.558 20 0 GDADRO CC(C)[C@@H](F)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001574075069 948742967 /nfs/dbraw/zinc/74/29/67/948742967.db2.gz ZYLXRFSUGAZFDV-GUIRCDHDSA-N 1 0 378.477 1.716 20 0 GDADRO C[C@H](CNC(=O)CCc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574914818 948754694 /nfs/dbraw/zinc/75/46/94/948754694.db2.gz NMOJYHUDTRIQCG-CYBMUJFWSA-N 1 0 383.431 1.628 20 0 GDADRO CC(C)c1ccccc1C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574419596 948787118 /nfs/dbraw/zinc/78/71/18/948787118.db2.gz GAXKFQICCGLHBE-OAHLLOKOSA-N 1 0 383.456 1.199 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574420374 948796868 /nfs/dbraw/zinc/79/68/68/948796868.db2.gz ULHAQYZFEJYZFL-OKILXGFUSA-N 1 0 380.456 1.764 20 0 GDADRO C[C@H](CNC(=O)CCc1ccnn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574917497 948818898 /nfs/dbraw/zinc/81/88/98/948818898.db2.gz YVFKODSEPKYAIK-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)CC1 ZINC001575226617 948822566 /nfs/dbraw/zinc/82/25/66/948822566.db2.gz OFIZWJDZMGMTFX-FICVDOATSA-N 1 0 388.422 1.849 20 0 GDADRO C[C@H](CNC(=O)CCCn1cccn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574917944 948829658 /nfs/dbraw/zinc/82/96/58/948829658.db2.gz CXDHJLDOTJIHTM-CYBMUJFWSA-N 1 0 388.501 1.542 20 0 GDADRO C[C@H](CNC(=O)CCc1nccs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920224 948891336 /nfs/dbraw/zinc/89/13/36/948891336.db2.gz GDYVYAITNQPUQH-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574684919 948895916 /nfs/dbraw/zinc/89/59/16/948895916.db2.gz PEANZCPMJHONAL-SMDDNHRTSA-N 1 0 392.895 1.706 20 0 GDADRO C[C@H](CNC(=O)CCc1cnn(C)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920429 948900931 /nfs/dbraw/zinc/90/09/31/948900931.db2.gz LACJUCXTNYFFBC-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)[C@@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001574088154 948909186 /nfs/dbraw/zinc/90/91/86/948909186.db2.gz BDZSYFJLSDVDRO-HNNXBMFYSA-N 1 0 378.502 1.936 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574921132 948919203 /nfs/dbraw/zinc/91/92/03/948919203.db2.gz SUOOSQLVTIEVDN-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO CC(C)c1nccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574432966 948945356 /nfs/dbraw/zinc/94/53/56/948945356.db2.gz QVVSNLRLZROHCH-AWEZNQCLSA-N 1 0 382.472 1.481 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001574688288 948959570 /nfs/dbraw/zinc/95/95/70/948959570.db2.gz SOXRVKVTAVIKSQ-CYBMUJFWSA-N 1 0 390.467 1.584 20 0 GDADRO C[C@@H](CNC(=O)CCn1ccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923743 948960267 /nfs/dbraw/zinc/96/02/67/948960267.db2.gz RPKMNMZKWYRHCL-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H](CNC(=O)CCn1cccn1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574923843 948960944 /nfs/dbraw/zinc/96/09/44/948960944.db2.gz SLTPYSZYNXNWEO-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H](CNC(=O)C[NH+]1CCCC1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574925612 948977823 /nfs/dbraw/zinc/97/78/23/948977823.db2.gz BNRSDXCRWRDCMN-VIFPVBQESA-N 1 0 384.897 1.013 20 0 GDADRO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O)C1CC1 ZINC001573774137 949001895 /nfs/dbraw/zinc/00/18/95/949001895.db2.gz RAEKXIVECJLQNP-DLBZAZTESA-N 1 0 384.484 1.354 20 0 GDADRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573774471 949010064 /nfs/dbraw/zinc/01/00/64/949010064.db2.gz SCOPDCPOZWPWDZ-ZDUSSCGKSA-N 1 0 376.436 1.009 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2cccc(F)c2-c2nn[nH]n2)CC1)[NH+]1CCCC1 ZINC001573775295 949038581 /nfs/dbraw/zinc/03/85/81/949038581.db2.gz VWYXJBFTBZRZHV-UHFFFAOYSA-N 1 0 387.463 1.941 20 0 GDADRO CC(C)[C@@H]1C[C@H](CC(=O)NCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001574092255 949052739 /nfs/dbraw/zinc/05/27/39/949052739.db2.gz MYGMKXUKBNTMKS-PBHICJAKSA-N 1 0 387.488 1.655 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574694133 949069284 /nfs/dbraw/zinc/06/92/84/949069284.db2.gz LWEIBGKKHYBMLN-CJNGLKHVSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@@H](CN(C)C(=O)C(C)(C)c1cnc[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574695051 949098702 /nfs/dbraw/zinc/09/87/02/949098702.db2.gz YYYWGIULUFDKFS-NSHDSACASA-N 1 0 388.501 1.566 20 0 GDADRO C[C@H](CCNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574695180 949102785 /nfs/dbraw/zinc/10/27/85/949102785.db2.gz DPSTURHMORESTC-BDAKNGLRSA-N 1 0 384.897 1.378 20 0 GDADRO C[C@H](CNC(=O)COCC(F)F)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574931119 949113757 /nfs/dbraw/zinc/11/37/57/949113757.db2.gz NPFMFWRANRENLA-SNVBAGLBSA-N 1 0 386.378 1.224 20 0 GDADRO C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575512563 949141402 /nfs/dbraw/zinc/14/14/02/949141402.db2.gz OIHYGMMBFNNMLW-DYVFJYSZSA-N 1 0 383.456 1.021 20 0 GDADRO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575512564 949141882 /nfs/dbraw/zinc/14/18/82/949141882.db2.gz OIHYGMMBFNNMLW-GUYCJALGSA-N 1 0 383.456 1.021 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C(C)(C)c1cccnc1 ZINC001575252217 949156125 /nfs/dbraw/zinc/15/61/25/949156125.db2.gz PKZNYDXLYCMQAU-OLZOCXBDSA-N 1 0 380.456 1.362 20 0 GDADRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001574095846 949158136 /nfs/dbraw/zinc/15/81/36/949158136.db2.gz ZKTBCXCLVSUFCA-ZBFHGGJFSA-N 1 0 391.501 1.145 20 0 GDADRO C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575514229 949163240 /nfs/dbraw/zinc/16/32/40/949163240.db2.gz BOXWEFWNZBUESJ-STQMWFEESA-N 1 0 381.444 1.188 20 0 GDADRO C[C@H](CNC(=O)COc1cccnc1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574934497 949163220 /nfs/dbraw/zinc/16/32/20/949163220.db2.gz JNVRVOKTALKWTJ-CQSZACIVSA-N 1 0 381.440 1.277 20 0 GDADRO C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001575252705 949170638 /nfs/dbraw/zinc/17/06/38/949170638.db2.gz GWWQQYMKPQPLLC-STQMWFEESA-N 1 0 387.463 1.939 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCC1 ZINC001573787591 949182952 /nfs/dbraw/zinc/18/29/52/949182952.db2.gz YGPGCQJPRUQGBZ-GASCZTMLSA-N 1 0 384.488 1.585 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574934955 949188112 /nfs/dbraw/zinc/18/81/12/949188112.db2.gz VXUQGCSRNCDZDK-ZDUSSCGKSA-N 1 0 384.415 1.679 20 0 GDADRO C[C@@H](c1cnccn1)[NH+]1CCC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001575515671 949195515 /nfs/dbraw/zinc/19/55/15/949195515.db2.gz KCIVGURYEFOOGY-LBPRGKRZSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575516652 949207092 /nfs/dbraw/zinc/20/70/92/949207092.db2.gz QPTPQSWCALJUMW-CZUORRHYSA-N 1 0 383.456 1.321 20 0 GDADRO C[C@H](CNC(=O)Cc1c(F)cccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574936121 949207449 /nfs/dbraw/zinc/20/74/49/949207449.db2.gz HMTWZEDFFYBKPB-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@H](c1ccccc1)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575516854 949216276 /nfs/dbraw/zinc/21/62/76/949216276.db2.gz RCQDPZJVQASVMJ-HIFRSBDPSA-N 1 0 383.456 1.321 20 0 GDADRO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001575255951 949244323 /nfs/dbraw/zinc/24/43/23/949244323.db2.gz SOJQQGKRBIVKDX-UONOGXRCSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CCC1(F)F)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575258046 949287047 /nfs/dbraw/zinc/28/70/47/949287047.db2.gz DGOBXWWXNMNGMD-IAQYHMDHSA-N 1 0 376.411 1.849 20 0 GDADRO CC(C)(C)C(=O)C(=O)N[C@@](C)(C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001573793383 949298487 /nfs/dbraw/zinc/29/84/87/949298487.db2.gz RIMUQXDERZZUCE-FQEVSTJZSA-N 1 0 384.484 1.856 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(c2cccnc2)CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574703027 949306218 /nfs/dbraw/zinc/30/62/18/949306218.db2.gz PELXDLXDHJDEGP-HNNXBMFYSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]1(F)CCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574703395 949329354 /nfs/dbraw/zinc/32/93/54/949329354.db2.gz VRBGZTFUDGUODT-GTNSWQLSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](NC(=O)C1CCC(O)CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575260401 949355743 /nfs/dbraw/zinc/35/57/43/949355743.db2.gz VPSIIXPOGRKGCJ-BELGNNRLSA-N 1 0 384.484 1.354 20 0 GDADRO CC(C)n1ccc(C[NH2+]C2CC(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001574460146 949374034 /nfs/dbraw/zinc/37/40/34/949374034.db2.gz QEJOCVPTBFAPKP-UHFFFAOYSA-N 1 0 383.460 1.270 20 0 GDADRO CC(C)CC(=O)NC1(CO)CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001574111448 949378831 /nfs/dbraw/zinc/37/88/31/949378831.db2.gz HOLYXHIVNFRCSC-UHFFFAOYSA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001574460692 949379445 /nfs/dbraw/zinc/37/94/45/949379445.db2.gz XSPAKWRRADQVMY-SHTZXODSSA-N 1 0 380.456 1.695 20 0 GDADRO C[C@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574704376 949383216 /nfs/dbraw/zinc/38/32/16/949383216.db2.gz BSLBSEYQVVYFND-LRVUVFPRSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704421 949390786 /nfs/dbraw/zinc/39/07/86/949390786.db2.gz CFPWSZCYXCKMOR-BLLLJJGKSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CC(F)(F)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574704690 949403195 /nfs/dbraw/zinc/40/31/95/949403195.db2.gz PKEHGDUICXMQBT-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)n1cnc(C(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)c1 ZINC001574464353 949410088 /nfs/dbraw/zinc/41/00/88/949410088.db2.gz LYDHAVUEYXHIGE-UHFFFAOYSA-N 1 0 381.444 1.438 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575532924 949411482 /nfs/dbraw/zinc/41/14/82/949411482.db2.gz CYQLETIOCWJPIL-JXFKEZNVSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575532927 949411649 /nfs/dbraw/zinc/41/16/49/949411649.db2.gz CYQLETIOCWJPIL-UZLBHIALSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574948360 949464321 /nfs/dbraw/zinc/46/43/21/949464321.db2.gz IFSOUJSCLFIXJZ-NSHDSACASA-N 1 0 390.398 1.295 20 0 GDADRO C[C@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707184 949467145 /nfs/dbraw/zinc/46/71/45/949467145.db2.gz NUWVIBDOOUPCPZ-PNESKVBLSA-N 1 0 378.502 1.416 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574470045 949488070 /nfs/dbraw/zinc/48/80/70/949488070.db2.gz LCOBUINEXMPPGQ-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001576157712 949492548 /nfs/dbraw/zinc/49/25/48/949492548.db2.gz RRKXMCNLDWFZFQ-FZKQIMNGSA-N 1 0 387.492 1.085 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574470729 949508604 /nfs/dbraw/zinc/50/86/04/949508604.db2.gz SZCALTAYROJUJW-CYBMUJFWSA-N 1 0 381.444 1.295 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574710728 949512376 /nfs/dbraw/zinc/51/23/76/949512376.db2.gz AKXOFFOGCZTJCK-RDTXWAMCSA-N 1 0 391.479 1.928 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[C@H](C)c1ccncc1 ZINC001574470733 949514863 /nfs/dbraw/zinc/51/48/63/949514863.db2.gz FUNNOMKQLHRLSM-UONOGXRCSA-N 1 0 380.456 1.531 20 0 GDADRO C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001576159403 949516291 /nfs/dbraw/zinc/51/62/91/949516291.db2.gz XERKFNNIYMCZGS-YHUYYLMFSA-N 1 0 381.484 1.983 20 0 GDADRO CC1(C(=O)N2CCC[C@@H]([N@H+](CCO)Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001575539800 949557542 /nfs/dbraw/zinc/55/75/42/949557542.db2.gz UAGXDWXFDOCJJO-MRXNPFEDSA-N 1 0 384.484 1.452 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C2=CCOCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575872883 949561511 /nfs/dbraw/zinc/56/15/11/949561511.db2.gz LUZBRKOGICTAMO-RDTXWAMCSA-N 1 0 382.468 1.683 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574712253 949575753 /nfs/dbraw/zinc/57/57/53/949575753.db2.gz RDZDEBCQMKEFCU-RKDXNWHRSA-N 1 0 384.897 1.187 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCCOC1 ZINC001575544085 949576026 /nfs/dbraw/zinc/57/60/26/949576026.db2.gz ANPJBNRIAARLDM-OXQOHEQNSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCO1 ZINC001574475890 949577280 /nfs/dbraw/zinc/57/72/80/949577280.db2.gz DETSLJFIKHDDMM-YJBOKZPZSA-N 1 0 386.500 1.962 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cc[nH]n1 ZINC001573810861 949580630 /nfs/dbraw/zinc/58/06/30/949580630.db2.gz FCVMNZKOFPICEF-MRXNPFEDSA-N 1 0 382.472 1.453 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cn1cccn1 ZINC001573810974 949584026 /nfs/dbraw/zinc/58/40/26/949584026.db2.gz GEHQDXOJPDXGTF-INIZCTEOSA-N 1 0 382.472 1.384 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574712966 949594519 /nfs/dbraw/zinc/59/45/19/949594519.db2.gz VOJWHQCOVKOYQP-GXTWGEPZSA-N 1 0 387.463 1.606 20 0 GDADRO C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001575270753 949599628 /nfs/dbraw/zinc/59/96/28/949599628.db2.gz GAKVBHGCZGEVJS-IUCAKERBSA-N 1 0 386.913 1.624 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCO1 ZINC001573812036 949613546 /nfs/dbraw/zinc/61/35/46/949613546.db2.gz PTGDBDGUTOHMKU-HZPDHXFCSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnon1 ZINC001573812422 949616500 /nfs/dbraw/zinc/61/65/00/949616500.db2.gz RQFKYETVTQJMQU-CQSZACIVSA-N 1 0 388.407 1.323 20 0 GDADRO CC1(C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCC1 ZINC001575546938 949618921 /nfs/dbraw/zinc/61/89/21/949618921.db2.gz TWANMGDATUKAMY-KRWDZBQOSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574714134 949623219 /nfs/dbraw/zinc/62/32/19/949623219.db2.gz CJZKPOIZKUAKBP-CJNGLKHVSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ncccn1 ZINC001573812732 949623236 /nfs/dbraw/zinc/62/32/36/949623236.db2.gz TVTAZBDLGNJFRZ-CYBMUJFWSA-N 1 0 386.485 1.653 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cnns1 ZINC001573812824 949623603 /nfs/dbraw/zinc/62/36/03/949623603.db2.gz UWFDLQWQRIVWPE-CQSZACIVSA-N 1 0 386.485 1.653 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnon1 ZINC001573812662 949623643 /nfs/dbraw/zinc/62/36/43/949623643.db2.gz SQIZAOLUARHGQH-AWEZNQCLSA-N 1 0 388.407 1.323 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575875145 949628602 /nfs/dbraw/zinc/62/86/02/949628602.db2.gz HKGWPFLIKWWEGL-KDOFPFPSSA-N 1 0 379.468 1.907 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cn1cccn1 ZINC001573813272 949630514 /nfs/dbraw/zinc/63/05/14/949630514.db2.gz XTXCARKLLAJUAY-MRXNPFEDSA-N 1 0 382.472 1.384 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1Cl)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001575272099 949632852 /nfs/dbraw/zinc/63/28/52/949632852.db2.gz NIUKGUAILOJTAA-WDEREUQCSA-N 1 0 380.884 1.562 20 0 GDADRO C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576169260 949671693 /nfs/dbraw/zinc/67/16/93/949671693.db2.gz GAXKEBGIXQBPPZ-SUMWQHHRSA-N 1 0 380.456 1.293 20 0 GDADRO C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@@H]3C2)CCOC1 ZINC001575552244 949678647 /nfs/dbraw/zinc/67/86/47/949678647.db2.gz FNDBPHQQULYMGD-FUHIMQAGSA-N 1 0 382.468 1.184 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001574478015 949687621 /nfs/dbraw/zinc/68/76/21/949687621.db2.gz WUJWLOUAYRJOLX-IUODEOHRSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001574478012 949688023 /nfs/dbraw/zinc/68/80/23/949688023.db2.gz WUJWLOUAYRJOLX-DOMZBBRYSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001576170037 949703153 /nfs/dbraw/zinc/70/31/53/949703153.db2.gz IRBHYCAPCLDCQY-SWLSCSKDSA-N 1 0 390.467 1.392 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574959792 949717912 /nfs/dbraw/zinc/71/79/12/949717912.db2.gz UERXVHCMARAOOO-TUKIKUTGSA-N 1 0 383.481 1.721 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574717027 949723099 /nfs/dbraw/zinc/72/30/99/949723099.db2.gz SLALEAPGSKCPHF-OCCSQVGLSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574960779 949730997 /nfs/dbraw/zinc/73/09/97/949730997.db2.gz XNZOPEJTWSZYEY-DOPJRALCSA-N 1 0 377.452 1.660 20 0 GDADRO C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576171009 949740886 /nfs/dbraw/zinc/74/08/86/949740886.db2.gz ONZIRWYTOCSALS-GOEBONIOSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cc2cnoc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882048 949745993 /nfs/dbraw/zinc/74/59/93/949745993.db2.gz FTKPAZPMYKMPFZ-BXUZGUMPSA-N 1 0 387.469 1.628 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccc(F)cn1 ZINC001573819032 949749584 /nfs/dbraw/zinc/74/95/84/949749584.db2.gz RFPMWKPVLKJWGH-OAHLLOKOSA-N 1 0 384.419 1.474 20 0 GDADRO C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1cncc(-c2nn[nH]n2)n1 ZINC001576171494 949765492 /nfs/dbraw/zinc/76/54/92/949765492.db2.gz RGBKYKVZVFKQPC-UKRRQHHQSA-N 1 0 387.492 1.038 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@]1(C)CCOC1 ZINC001575559959 949771799 /nfs/dbraw/zinc/77/17/99/949771799.db2.gz ZUCGIZNTXONVAQ-JXFKEZNVSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H](NC(=O)CCc1cnccn1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575278875 949774981 /nfs/dbraw/zinc/77/49/81/949774981.db2.gz WKUHKBAPLXOFTF-CQSZACIVSA-N 1 0 392.467 1.226 20 0 GDADRO C[C@@H](CNC(=O)c1c(Cl)cnn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574964817 949784883 /nfs/dbraw/zinc/78/48/83/949784883.db2.gz ACCWWPSRCFNPGP-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO CC(C)C[C@H](C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574138237 949790432 /nfs/dbraw/zinc/79/04/32/949790432.db2.gz BPJLSNMQTFGYLE-DZGCQCFKSA-N 1 0 375.477 1.308 20 0 GDADRO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574964909 949792140 /nfs/dbraw/zinc/79/21/40/949792140.db2.gz BVVYAROUWSMIOO-ZTQAJYAQSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575561036 949802205 /nfs/dbraw/zinc/80/22/05/949802205.db2.gz XRTKJGLPRXXYTF-VCMHEYGDSA-N 1 0 376.486 1.339 20 0 GDADRO C[C@H](CNC(=O)c1c(Cl)cnn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574965718 949812987 /nfs/dbraw/zinc/81/29/87/949812987.db2.gz KDVKSJXXEYQEJR-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO CC(C)C[C@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574139934 949824878 /nfs/dbraw/zinc/82/48/78/949824878.db2.gz LQCDAVGRTJTXEL-DZGCQCFKSA-N 1 0 377.493 1.242 20 0 GDADRO C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001576172971 949825290 /nfs/dbraw/zinc/82/52/90/949825290.db2.gz VYVXCRULLRBNST-JONQDZQNSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574965963 949826045 /nfs/dbraw/zinc/82/60/45/949826045.db2.gz QBPORJVMRJTGBZ-PNPHSEOMSA-N 1 0 390.513 1.824 20 0 GDADRO CC(C)OCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574722721 949844192 /nfs/dbraw/zinc/84/41/92/949844192.db2.gz WBDFJUBKCSCERV-CYBMUJFWSA-N 1 0 378.452 1.757 20 0 GDADRO CC(C)C[C@H](C)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574144079 949901895 /nfs/dbraw/zinc/90/18/95/949901895.db2.gz LNHJDCUQXSWGLC-LIRRHRJNSA-N 1 0 389.504 1.434 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576178943 949903210 /nfs/dbraw/zinc/90/32/10/949903210.db2.gz DGIQYRUQPQZFMC-KBXCAEBGSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cc2cnoc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575887659 949905635 /nfs/dbraw/zinc/90/56/35/949905635.db2.gz ZGKVJERMOQXYQG-SUMWQHHRSA-N 1 0 381.440 1.567 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ncccn2)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576179017 949909797 /nfs/dbraw/zinc/90/97/97/949909797.db2.gz JKZGIKONQDPGEB-WMLDXEAASA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H](CN(C)C(=O)CCn1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574726355 949937718 /nfs/dbraw/zinc/93/77/18/949937718.db2.gz ZUZMQYGVFFTITR-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H]1CCN(C(=O)Cc2cccnc2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180520 949961343 /nfs/dbraw/zinc/96/13/43/949961343.db2.gz DWYNVZKIRJIJEX-GDBMZVCRSA-N 1 0 392.467 1.218 20 0 GDADRO C[C@@H](CN(C)C(=O)COc1ccsc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574727483 949970640 /nfs/dbraw/zinc/97/06/40/949970640.db2.gz UDHUZMKEILNYPJ-ZDUSSCGKSA-N 1 0 386.481 1.944 20 0 GDADRO CC1(C(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCCC1 ZINC001575572969 949986789 /nfs/dbraw/zinc/98/67/89/949986789.db2.gz JYTLKFQTXNYDMG-CQSZACIVSA-N 1 0 376.436 1.153 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574728719 950004570 /nfs/dbraw/zinc/00/45/70/950004570.db2.gz ICWLCDNLAMQUSX-LLVKDONJSA-N 1 0 387.394 1.463 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ccncn1 ZINC001574150870 950040065 /nfs/dbraw/zinc/04/00/65/950040065.db2.gz FWNNXPOXVDOQTM-GFCCVEGCSA-N 1 0 386.485 1.653 20 0 GDADRO CC(C)C[C@@H](C[NH2+][C@@H](C)c1cnccn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151017 950051386 /nfs/dbraw/zinc/05/13/86/950051386.db2.gz JLGWEBFFCYFCJJ-STQMWFEESA-N 1 0 383.460 1.480 20 0 GDADRO CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCCC1 ZINC001575575818 950059571 /nfs/dbraw/zinc/05/95/71/950059571.db2.gz MABHOTFJXUJMHD-ZDUSSCGKSA-N 1 0 376.436 1.153 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnon1 ZINC001574151155 950062089 /nfs/dbraw/zinc/06/20/89/950062089.db2.gz MDWGXNIKVKAYDR-ZDUSSCGKSA-N 1 0 388.407 1.323 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574732062 950065620 /nfs/dbraw/zinc/06/56/20/950065620.db2.gz FTRNCEHYKHJTMO-VHSSKADRSA-N 1 0 384.484 1.618 20 0 GDADRO CC(C)C[C@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574151428 950076031 /nfs/dbraw/zinc/07/60/31/950076031.db2.gz RAOAGALEWHQARO-CABCVRRESA-N 1 0 375.477 1.498 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCCO1 ZINC001574151372 950077063 /nfs/dbraw/zinc/07/70/63/950077063.db2.gz PZCLJQHEUHEBEA-WMLDXEAASA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)C[C@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574151430 950077534 /nfs/dbraw/zinc/07/75/34/950077534.db2.gz RAOAGALEWHQARO-HUUCEWRRSA-N 1 0 375.477 1.498 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)C1CCCCC1 ZINC001574492393 950083835 /nfs/dbraw/zinc/08/38/35/950083835.db2.gz ANXVZSGXBNZHMG-ZFWWWQNUSA-N 1 0 387.488 1.179 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001574976573 950084188 /nfs/dbraw/zinc/08/41/88/950084188.db2.gz VPPVZMQNCCHJHO-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1ccnc1 ZINC001574493017 950114173 /nfs/dbraw/zinc/11/41/73/950114173.db2.gz QRNQJIGCYAQWHD-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cncnc1 ZINC001574152729 950115495 /nfs/dbraw/zinc/11/54/95/950115495.db2.gz IVDRMCRXDPFTAM-KRWDZBQOSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cnn(C)c1 ZINC001574152769 950116417 /nfs/dbraw/zinc/11/64/17/950116417.db2.gz JSCAHHGSPGRIEW-KRWDZBQOSA-N 1 0 382.472 1.535 20 0 GDADRO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574152874 950119522 /nfs/dbraw/zinc/11/95/22/950119522.db2.gz LBDWAVHOVJEUKN-NVXWUHKLSA-N 1 0 388.520 1.791 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001576184448 950133503 /nfs/dbraw/zinc/13/35/03/950133503.db2.gz VSNCQZJLLHKFPW-HUUCEWRRSA-N 1 0 386.504 1.498 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575896808 950136396 /nfs/dbraw/zinc/13/63/96/950136396.db2.gz NRXGOMSWJKCJNC-BXUZGUMPSA-N 1 0 386.485 1.445 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1ccon1 ZINC001574153505 950142215 /nfs/dbraw/zinc/14/22/15/950142215.db2.gz UFDRBMXTJDMJBG-QGZVFWFLSA-N 1 0 383.456 1.718 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576184727 950142577 /nfs/dbraw/zinc/14/25/77/950142577.db2.gz XIFWDQIUMRBPGC-BLLLJJGKSA-N 1 0 382.428 1.415 20 0 GDADRO CC1(C(=O)NC[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575583796 950153698 /nfs/dbraw/zinc/15/36/98/950153698.db2.gz NTUSUXQGJLOGSR-CQSZACIVSA-N 1 0 385.472 1.411 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccccc1OC1CC1 ZINC001574982403 950162339 /nfs/dbraw/zinc/16/23/39/950162339.db2.gz BWPIGRNKAVHWDH-GFCCVEGCSA-N 1 0 381.440 1.644 20 0 GDADRO C[C@H](CC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001574494496 950166819 /nfs/dbraw/zinc/16/68/19/950166819.db2.gz ZRYRGRSSGUHMPQ-DYVFJYSZSA-N 1 0 385.472 1.552 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2ccn(C)c2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575899502 950169649 /nfs/dbraw/zinc/16/96/49/950169649.db2.gz WXDKECASKFILKD-RDTXWAMCSA-N 1 0 379.468 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576191339 950191819 /nfs/dbraw/zinc/19/18/19/950191819.db2.gz FFLMZGLCWWTSAA-ZDUSSCGKSA-N 1 0 390.467 1.392 20 0 GDADRO C[C@H]1CCN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576191432 950196917 /nfs/dbraw/zinc/19/69/17/950196917.db2.gz GHYVIPTXENVKIB-WMLDXEAASA-N 1 0 392.467 1.545 20 0 GDADRO C[C@H]1CCN(C(=O)c2cnccn2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576191433 950198090 /nfs/dbraw/zinc/19/80/90/950198090.db2.gz GHYVIPTXENVKIB-YOEHRIQHSA-N 1 0 392.467 1.545 20 0 GDADRO CC(C)(C)CCC[NH+]1CCC(CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573844843 950208517 /nfs/dbraw/zinc/20/85/17/950208517.db2.gz LPHPQPGSNRQAOL-UHFFFAOYSA-N 1 0 389.504 1.578 20 0 GDADRO C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C[NH2+]Cc1cccnc1 ZINC001576191797 950210142 /nfs/dbraw/zinc/21/01/42/950210142.db2.gz KJPGEWRXHTXHTB-CJNGLKHVSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H]1[C@@H]([NH2+]CCOc2ccccc2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901018 950210598 /nfs/dbraw/zinc/21/05/98/950210598.db2.gz JYWKKTXTUBTTHB-BBRMVZONSA-N 1 0 381.440 1.466 20 0 GDADRO CC(C)(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573845296 950217316 /nfs/dbraw/zinc/21/73/16/950217316.db2.gz VMLJFHXEAWWPFB-ZDUSSCGKSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cnns1 ZINC001575901123 950221801 /nfs/dbraw/zinc/22/18/01/950221801.db2.gz LJVBDQHGEGDAPK-RNCFNFMXSA-N 1 0 388.432 1.250 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573845327 950225750 /nfs/dbraw/zinc/22/57/50/950225750.db2.gz WTVBMSMDWRAPFE-WFASDCNBSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H]1[C@H]([NH2+]CCc2ccccc2F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575901294 950228738 /nfs/dbraw/zinc/22/87/38/950228738.db2.gz NFCBCLMAGOMILK-BLLLJJGKSA-N 1 0 383.431 1.769 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576192151 950228841 /nfs/dbraw/zinc/22/88/41/950228841.db2.gz LZBYPRZPFRTZFC-VXGBXAGGSA-N 1 0 384.419 1.361 20 0 GDADRO C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1ccnc1 ZINC001574497649 950231376 /nfs/dbraw/zinc/23/13/76/950231376.db2.gz AMLASWWTQCWOQU-AWEZNQCLSA-N 1 0 380.456 1.453 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574741212 950240939 /nfs/dbraw/zinc/24/09/39/950240939.db2.gz IHLADEBQZBEJDD-PNPHSEOMSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1ccoc1 ZINC001575901817 950242738 /nfs/dbraw/zinc/24/27/38/950242738.db2.gz QFANOPDAQLFRFC-YVEFUNNKSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576192666 950258668 /nfs/dbraw/zinc/25/86/68/950258668.db2.gz OQOLCJZMNRVRLJ-VXGBXAGGSA-N 1 0 376.440 1.001 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cncs1 ZINC001575904722 950280649 /nfs/dbraw/zinc/28/06/49/950280649.db2.gz AMCGVMLOYFYLTN-ONGXEEELSA-N 1 0 375.483 1.778 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576193209 950287438 /nfs/dbraw/zinc/28/74/38/950287438.db2.gz SMPWJZCBSBMJHF-RHSMWYFYSA-N 1 0 392.467 1.545 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccn(C)c1 ZINC001575905173 950291215 /nfs/dbraw/zinc/29/12/15/950291215.db2.gz BUITWGFRVIEWNG-PXAZEXFGSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1n[nH]cc1F ZINC001575905763 950301420 /nfs/dbraw/zinc/30/14/20/950301420.db2.gz FDRHKBOCBAXKJP-XPTSAGLGSA-N 1 0 388.382 1.261 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1cscn1 ZINC001575905776 950301864 /nfs/dbraw/zinc/30/18/64/950301864.db2.gz FILYPUBKJWCROK-ZWNOBZJWSA-N 1 0 389.510 1.706 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575906021 950304925 /nfs/dbraw/zinc/30/49/25/950304925.db2.gz FZHMHCQEWMSWKD-BMIGLBTASA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cnon2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576193620 950307012 /nfs/dbraw/zinc/30/70/12/950307012.db2.gz UXBHBEGXZSBMRI-DOMZBBRYSA-N 1 0 382.428 1.138 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1nccs1 ZINC001575906360 950310216 /nfs/dbraw/zinc/31/02/16/950310216.db2.gz HXPADLYGDBZOCO-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CC1OCCCO1 ZINC001575906593 950315049 /nfs/dbraw/zinc/31/50/49/950315049.db2.gz JOCRPGIZPCMMDL-BBRMVZONSA-N 1 0 386.456 1.099 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1ccon1 ZINC001575906866 950320488 /nfs/dbraw/zinc/32/04/88/950320488.db2.gz KHKYUVLKVOGCEI-BDJLRTHQSA-N 1 0 385.403 1.316 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576194006 950321392 /nfs/dbraw/zinc/32/13/92/950321392.db2.gz XDMFXOZTXPVMFC-VXGBXAGGSA-N 1 0 386.485 1.539 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)COC(C)(C)C ZINC001575907219 950331738 /nfs/dbraw/zinc/33/17/38/950331738.db2.gz MWOIHARJAMTABD-YPMHNXCESA-N 1 0 378.502 1.822 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccn(C)n1 ZINC001575908027 950352529 /nfs/dbraw/zinc/35/25/29/950352529.db2.gz SSYDUOXZQMATCS-XHDPSFHLSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3ncccc3-c3nn[nH]n3)C2)C1 ZINC001576196447 950363083 /nfs/dbraw/zinc/36/30/83/950363083.db2.gz DUHPZXQGQFFESA-CABCVRRESA-N 1 0 384.488 1.254 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3ncccc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001576196482 950366050 /nfs/dbraw/zinc/36/60/50/950366050.db2.gz FEAVWQNKLFLLLU-ZFWWWQNUSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1n[nH]cc1F ZINC001575908915 950383453 /nfs/dbraw/zinc/38/34/53/950383453.db2.gz XBOJQDRTWNQTEZ-YMTOWFKASA-N 1 0 388.382 1.261 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)C1CC(F)(F)C1 ZINC001575909092 950387786 /nfs/dbraw/zinc/38/77/86/950387786.db2.gz FPCZGBUMNWQGRD-XHDPSFHLSA-N 1 0 376.411 1.991 20 0 GDADRO C[C@H](CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001574502686 950388362 /nfs/dbraw/zinc/38/83/62/950388362.db2.gz PVXXHPZYMYVRFG-CQSZACIVSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC001574991323 950396476 /nfs/dbraw/zinc/39/64/76/950396476.db2.gz KCUDBNCODIPPCT-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1ccccn1 ZINC001575909850 950410190 /nfs/dbraw/zinc/41/01/90/950410190.db2.gz IMXCUFBFOGGHEG-HNAYVOBHSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575597474 950411017 /nfs/dbraw/zinc/41/10/17/950411017.db2.gz QISHVFPCAKJTOZ-KPAZRMRSSA-N 1 0 388.447 1.417 20 0 GDADRO CC(C)C[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574163822 950435171 /nfs/dbraw/zinc/43/51/71/950435171.db2.gz YXCATHPODPYUBX-DZGCQCFKSA-N 1 0 389.508 1.186 20 0 GDADRO C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001574507769 950463251 /nfs/dbraw/zinc/46/32/51/950463251.db2.gz ILWHUZDMWSJPCO-QWHCGFSZSA-N 1 0 388.501 1.760 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[C@H](C)n1cccn1 ZINC001574508035 950468160 /nfs/dbraw/zinc/46/81/60/950468160.db2.gz LSJZUAFPCXDVTG-STQMWFEESA-N 1 0 386.435 1.448 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204663 950469576 /nfs/dbraw/zinc/46/95/76/950469576.db2.gz RBTKOWPLXIJTDI-CJNGLKHVSA-N 1 0 387.463 1.038 20 0 GDADRO CC(C)CCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574167574 950486550 /nfs/dbraw/zinc/48/65/50/950486550.db2.gz FMDHEKVWFDELOA-HNNXBMFYSA-N 1 0 378.452 1.351 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1ncccn1 ZINC001575913776 950486670 /nfs/dbraw/zinc/48/66/70/950486670.db2.gz TXAMYVHFFYNVGD-YOEHRIQHSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575605939 950492765 /nfs/dbraw/zinc/49/27/65/950492765.db2.gz XBCRDWWUKSKCGO-JKDFXYPNSA-N 1 0 376.486 1.482 20 0 GDADRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575605987 950495089 /nfs/dbraw/zinc/49/50/89/950495089.db2.gz ZWBDQZXPYPGBLT-GASCZTMLSA-N 1 0 388.447 1.559 20 0 GDADRO CC(C)(C)OCC(=O)N1CC2(C1)CC[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001573866400 950496226 /nfs/dbraw/zinc/49/62/26/950496226.db2.gz ARDZJKJRSJMFMO-UHFFFAOYSA-N 1 0 384.484 1.716 20 0 GDADRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOCC1 ZINC001575607541 950502212 /nfs/dbraw/zinc/50/22/12/950502212.db2.gz IQFCEHBSESQMGF-OKILXGFUSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(F)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574753789 950542335 /nfs/dbraw/zinc/54/23/35/950542335.db2.gz SGFTXSGNMDZVOS-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001576205970 950548658 /nfs/dbraw/zinc/54/86/58/950548658.db2.gz SCLVLXPMZOFEQK-DTWKUNHWSA-N 1 0 384.897 1.235 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573869120 950558139 /nfs/dbraw/zinc/55/81/39/950558139.db2.gz KROIFPJHSPTWPE-MRXNPFEDSA-N 1 0 390.463 1.805 20 0 GDADRO CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575615638 950570339 /nfs/dbraw/zinc/57/03/39/950570339.db2.gz FAQKPVDRNGVJBP-AWEZNQCLSA-N 1 0 386.500 1.506 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573869718 950575094 /nfs/dbraw/zinc/57/50/94/950575094.db2.gz BVFQAUJKSMUMBU-INIZCTEOSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)no1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574999452 950579148 /nfs/dbraw/zinc/57/91/48/950579148.db2.gz KDWVAEQNMQZEMV-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574999448 950581421 /nfs/dbraw/zinc/58/14/21/950581421.db2.gz KBUQJOKDFFNLSG-LBPRGKRZSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574513748 950619919 /nfs/dbraw/zinc/61/99/19/950619919.db2.gz XZMWHTMUMSVGCB-NWDGAFQWSA-N 1 0 388.501 1.450 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001576208991 950620551 /nfs/dbraw/zinc/62/05/51/950620551.db2.gz XTHJDPOZFFZXHS-FVQBIDKESA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001574174475 950634922 /nfs/dbraw/zinc/63/49/22/950634922.db2.gz ISIIOFXTMNQHPN-KBPBESRZSA-N 1 0 378.502 1.416 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1ccnc1 ZINC001574517772 950645030 /nfs/dbraw/zinc/64/50/30/950645030.db2.gz LYFCRVKWLJDJIN-CKNFYHOISA-N 1 0 392.467 1.261 20 0 GDADRO C[C@@H](CNC(=O)c1cc(F)c[nH]1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575002332 950659822 /nfs/dbraw/zinc/65/98/22/950659822.db2.gz SENOKDKFGNGEER-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccccn1 ZINC001575923510 950664556 /nfs/dbraw/zinc/66/45/56/950664556.db2.gz BSZGZAHYSFHHHE-CJNGLKHVSA-N 1 0 378.440 1.113 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccn(C(F)F)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574760640 950673332 /nfs/dbraw/zinc/67/33/32/950673332.db2.gz XNLBXBOXQHGJTE-NSHDSACASA-N 1 0 390.398 1.709 20 0 GDADRO C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575005494 950686270 /nfs/dbraw/zinc/68/62/70/950686270.db2.gz GJRFUIMYLLIFJW-AWEZNQCLSA-N 1 0 379.468 1.913 20 0 GDADRO C[C@H]1[C@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575926268 950704083 /nfs/dbraw/zinc/70/40/83/950704083.db2.gz XDDMSROQTOCDGP-SWLSCSKDSA-N 1 0 387.463 1.749 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575926317 950704812 /nfs/dbraw/zinc/70/48/12/950704812.db2.gz JFUCNNGMXPIBOL-RISCZKNCSA-N 1 0 378.440 1.216 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnc2n1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574763460 950715384 /nfs/dbraw/zinc/71/53/84/950715384.db2.gz BJQFTEBTSVUVIV-NSHDSACASA-N 1 0 386.485 1.321 20 0 GDADRO CC(C)n1cc(C(=O)N(C)C[C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001574763839 950735226 /nfs/dbraw/zinc/73/52/26/950735226.db2.gz LYKUYZPUSQCWFL-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575927721 950753010 /nfs/dbraw/zinc/75/30/10/950753010.db2.gz SWRSPXRDADIROK-GWCFXTLKSA-N 1 0 380.412 1.264 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnns1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574764790 950760831 /nfs/dbraw/zinc/76/08/31/950760831.db2.gz YMFAYOAJSFPKEM-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001575009186 950778874 /nfs/dbraw/zinc/77/88/74/950778874.db2.gz PJAYWGRRMOBZPF-XHDPSFHLSA-N 1 0 383.431 1.977 20 0 GDADRO C[C@H](C[N@H+](C)C[C@@H](O)C1CCCCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765298 950783211 /nfs/dbraw/zinc/78/32/11/950783211.db2.gz BKKHFMIXIHZIBV-MLGOLLRUSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1CCOCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574521801 950785852 /nfs/dbraw/zinc/78/58/52/950785852.db2.gz HTMOWZHLLKQRQX-OLZOCXBDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001575929945 950790510 /nfs/dbraw/zinc/79/05/10/950790510.db2.gz CVKCEBRKXZCTRM-ZWNOBZJWSA-N 1 0 378.868 1.268 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575632479 950799496 /nfs/dbraw/zinc/79/94/96/950799496.db2.gz JACWTUIZXHWAGO-CQSZACIVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1ccc[nH]1 ZINC001574522885 950802796 /nfs/dbraw/zinc/80/27/96/950802796.db2.gz LPHFMZJJZDEVBP-CHWSQXEVSA-N 1 0 385.447 1.950 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1nnc[nH]1 ZINC001574523670 950826841 /nfs/dbraw/zinc/82/68/41/950826841.db2.gz OYIPIXBFMVNVEA-QWRGUYRKSA-N 1 0 389.489 1.052 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(F)F)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576220439 950830456 /nfs/dbraw/zinc/83/04/56/950830456.db2.gz QZWLLWDBOXETMZ-IINYFYTJSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576220562 950835191 /nfs/dbraw/zinc/83/51/91/950835191.db2.gz RMYPZZLWKCJTMW-RISCZKNCSA-N 1 0 376.411 1.849 20 0 GDADRO C[C@@H]1CN(C(=O)C(F)F)CC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576220617 950835773 /nfs/dbraw/zinc/83/57/73/950835773.db2.gz RWCZUWSMNDJIGD-GHMZBOCLSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCc1ccon1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574523948 950841505 /nfs/dbraw/zinc/84/15/05/950841505.db2.gz SLGCKBXRXNXXGK-NEPJUHHUSA-N 1 0 389.485 1.922 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576222209 950868357 /nfs/dbraw/zinc/86/83/57/950868357.db2.gz XURGPGLJPNSDAG-SKDRFNHKSA-N 1 0 381.362 1.285 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@@H](O)C1CCCCC1 ZINC001575011996 950870234 /nfs/dbraw/zinc/87/02/34/950870234.db2.gz VPWRISWIFMQOOV-BLLLJJGKSA-N 1 0 375.477 1.186 20 0 GDADRO CC1(C)CC(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCCO2)C1 ZINC001575639611 950874565 /nfs/dbraw/zinc/87/45/65/950874565.db2.gz UGNDNFDZHZUMHO-CQSZACIVSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576225936 950876643 /nfs/dbraw/zinc/87/66/43/950876643.db2.gz ACTFLUMXKWGXPN-IAQYHMDHSA-N 1 0 391.426 1.768 20 0 GDADRO C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574768606 950896941 /nfs/dbraw/zinc/89/69/41/950896941.db2.gz ZUNSNIMKXKVTAS-LBPRGKRZSA-N 1 0 380.456 1.329 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnsn1 ZINC001574527786 950905555 /nfs/dbraw/zinc/90/55/55/950905555.db2.gz HCCSUZICZOJIDI-VHSXEESVSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccnn1C ZINC001574527727 950905886 /nfs/dbraw/zinc/90/58/86/950905886.db2.gz GNRWUVMLJDUBJC-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccn(C)n1 ZINC001574527846 950911072 /nfs/dbraw/zinc/91/10/72/950911072.db2.gz HZKXEMKQIAXFIQ-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001574190741 950919091 /nfs/dbraw/zinc/91/90/91/950919091.db2.gz ZVVSXHGPTACGQX-ZWKOTPCHSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cncnc1 ZINC001574527989 950920660 /nfs/dbraw/zinc/92/06/60/950920660.db2.gz JLGQECSQFVPRFK-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cccnn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574528662 950937276 /nfs/dbraw/zinc/93/72/76/950937276.db2.gz NYBNBBLJAOAWPI-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CCO1 ZINC001575937751 950963324 /nfs/dbraw/zinc/96/33/24/950963324.db2.gz HAHLBXHEAQTLHX-HIFRSBDPSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(C2CC2)no1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574530327 950978451 /nfs/dbraw/zinc/97/84/51/950978451.db2.gz BUMIKHSTZAXKIY-QWRGUYRKSA-N 1 0 384.444 1.747 20 0 GDADRO CC(C)CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001574195436 950981416 /nfs/dbraw/zinc/98/14/16/950981416.db2.gz OMOXMQYMFUSFLN-HNNXBMFYSA-N 1 0 387.488 1.594 20 0 GDADRO CC(C)CCC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574195281 950984472 /nfs/dbraw/zinc/98/44/72/950984472.db2.gz MGADMLNHPYPEGD-AWEZNQCLSA-N 1 0 375.477 1.452 20 0 GDADRO CC(C)c1ccc(C(=O)NC[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)nc1 ZINC001575017322 950986865 /nfs/dbraw/zinc/98/68/65/950986865.db2.gz DEZNNUMYENXQRC-CYBMUJFWSA-N 1 0 380.456 1.680 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575644744 950994093 /nfs/dbraw/zinc/99/40/93/950994093.db2.gz WQBIMWWXRQFYOR-TZMCWYRMSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1csnn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574530870 950999793 /nfs/dbraw/zinc/99/97/93/950999793.db2.gz YEKYRTUVZMGDMN-BDAKNGLRSA-N 1 0 378.487 1.466 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CO1 ZINC001575939079 951000354 /nfs/dbraw/zinc/00/03/54/951000354.db2.gz OUIREGFGGYLZJL-OLZOCXBDSA-N 1 0 392.529 1.927 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCc1ccc2c(c1)CCO2 ZINC001575019406 951037712 /nfs/dbraw/zinc/03/77/12/951037712.db2.gz UKSUZTSVDSIUQC-LBPRGKRZSA-N 1 0 381.440 1.080 20 0 GDADRO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575021583 951062719 /nfs/dbraw/zinc/06/27/19/951062719.db2.gz DIJMDCHKGLHNOP-CYBMUJFWSA-N 1 0 380.456 1.554 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)CCOC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575024646 951110599 /nfs/dbraw/zinc/11/05/99/951110599.db2.gz JXHOHIYIGLUTQN-CQSZACIVSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2ncnn21)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575026920 951150858 /nfs/dbraw/zinc/15/08/58/951150858.db2.gz BARYZQMABQFFLX-ZDUSSCGKSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@@H](CNC(=O)c1ccccc1O)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575028163 951169221 /nfs/dbraw/zinc/16/92/21/951169221.db2.gz LSSMXBMCFSDIHT-LBPRGKRZSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@H](CNC(=O)c1ccnn1CC(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575034940 951260004 /nfs/dbraw/zinc/26/00/04/951260004.db2.gz QVZOFDYRZTYRJE-LLVKDONJSA-N 1 0 390.398 1.236 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575034898 951261648 /nfs/dbraw/zinc/26/16/48/951261648.db2.gz QGAFBIXUICLILS-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575034987 951262876 /nfs/dbraw/zinc/26/28/76/951262876.db2.gz RQEACTIECHVBLX-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO C[C@H](CNC(=O)c1ccn(C(F)F)n1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575035762 951282724 /nfs/dbraw/zinc/28/27/24/951282724.db2.gz KYKDYUJKXJYGLX-LLVKDONJSA-N 1 0 390.398 1.709 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575042033 951356025 /nfs/dbraw/zinc/35/60/25/951356025.db2.gz FZTCMJCXNPXMON-NSHDSACASA-N 1 0 381.444 1.127 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575042031 951356746 /nfs/dbraw/zinc/35/67/46/951356746.db2.gz FZTCMJCXNPXMON-LLVKDONJSA-N 1 0 381.444 1.127 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575046271 951438938 /nfs/dbraw/zinc/43/89/38/951438938.db2.gz MGHUKSCQMOWFKE-NSHDSACASA-N 1 0 384.419 1.057 20 0 GDADRO C[C@H](CNC(=O)c1cnoc1C1CC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575054746 951495590 /nfs/dbraw/zinc/49/55/90/951495590.db2.gz KLOKGHXPAQHDMJ-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056024 951516540 /nfs/dbraw/zinc/51/65/40/951516540.db2.gz DRTCBWXDHURILX-SNVBAGLBSA-N 1 0 384.469 1.850 20 0 GDADRO C[C@H](CNC(=O)c1csc(Cl)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575057474 951530284 /nfs/dbraw/zinc/53/02/84/951530284.db2.gz PPCFARAJMUUNDY-QMMMGPOBSA-N 1 0 378.849 1.272 20 0 GDADRO C[C@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575059335 951540519 /nfs/dbraw/zinc/54/05/19/951540519.db2.gz ZOAZRHAVEYSJDE-SNVBAGLBSA-N 1 0 386.485 1.668 20 0 GDADRO C[C@@H](CNC(=O)c1ncc(Cl)s1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575060929 951552217 /nfs/dbraw/zinc/55/22/17/951552217.db2.gz JZECDFTVIJPIQU-VIFPVBQESA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575077533 951671386 /nfs/dbraw/zinc/67/13/86/951671386.db2.gz GDIIUTPZDVUHKJ-GTNSWQLSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077657 951672794 /nfs/dbraw/zinc/67/27/94/951672794.db2.gz HUGABEBAINRZAK-WFASDCNBSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ncccc1O ZINC001575077842 951674499 /nfs/dbraw/zinc/67/44/99/951674499.db2.gz IONZTRHDVPYEMR-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575077855 951675817 /nfs/dbraw/zinc/67/58/17/951675817.db2.gz IZRXBRVXPSFBEI-CJNGLKHVSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)c1ccc(=O)[nH]c1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077877 951676353 /nfs/dbraw/zinc/67/63/53/951676353.db2.gz JEFOYCSVWKNZDH-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001575079058 951687149 /nfs/dbraw/zinc/68/71/49/951687149.db2.gz PBHFTKAXBPZKDR-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCCO1 ZINC001575080029 951702122 /nfs/dbraw/zinc/70/21/22/951702122.db2.gz JJMRTDRAFCJEGX-WBMJQRKESA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001575080157 951703913 /nfs/dbraw/zinc/70/39/13/951703913.db2.gz PDSYVPJRIDGYDW-VXGBXAGGSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575080152 951704307 /nfs/dbraw/zinc/70/43/07/951704307.db2.gz WGGQGVZSLSYAMS-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)c1cnco1)C1CC1 ZINC001575080937 951717622 /nfs/dbraw/zinc/71/76/22/951717622.db2.gz SUCOLISINNPLKX-SFHVURJKSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@@H](CNC(=O)CCc1cn[nH]c1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080911 951717954 /nfs/dbraw/zinc/71/79/54/951717954.db2.gz SIJDVMGKIVSPCW-GFCCVEGCSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575080905 951718016 /nfs/dbraw/zinc/71/80/16/951718016.db2.gz ZYZUOGIPBWIOLE-SGTLLEGYSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575082254 951733003 /nfs/dbraw/zinc/73/30/03/951733003.db2.gz WQMUYXRNRZFUHF-SECBINFHSA-N 1 0 391.432 1.324 20 0 GDADRO C[C@H](CNC(=O)CC1(O)CCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082738 951737948 /nfs/dbraw/zinc/73/79/48/951737948.db2.gz ZLZJLSVHDNIEPX-LBPRGKRZSA-N 1 0 376.436 1.153 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575088582 951742080 /nfs/dbraw/zinc/74/20/80/951742080.db2.gz BQSSFQXWONZMSK-BFUOFWGJSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001575089414 951749017 /nfs/dbraw/zinc/74/90/17/951749017.db2.gz FLNALHJRJTYTNW-SCLBCKFNSA-N 1 0 390.513 1.872 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CCC1(F)F ZINC001575089352 951749041 /nfs/dbraw/zinc/74/90/41/951749041.db2.gz GPQSDHKAEGVKJA-MFKMUULPSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001575089522 951750540 /nfs/dbraw/zinc/75/05/40/951750540.db2.gz GJYTXHPBUFUOSS-KBXCAEBGSA-N 1 0 390.513 1.872 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575090115 951757357 /nfs/dbraw/zinc/75/73/57/951757357.db2.gz JORJEKIIVFSEOV-CYHLAULCSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090910 951764654 /nfs/dbraw/zinc/76/46/54/951764654.db2.gz NYCIXPNTPQRZGP-ZIAGYGMSSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575091349 951774010 /nfs/dbraw/zinc/77/40/10/951774010.db2.gz RUSWAIHOLMSLNL-SGTLLEGYSA-N 1 0 390.513 1.729 20 0 GDADRO 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ZINC001575101535 951861131 /nfs/dbraw/zinc/86/11/31/951861131.db2.gz GUAKBXMDUCJBIA-LBPRGKRZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103021 951871468 /nfs/dbraw/zinc/87/14/68/951871468.db2.gz QZARSQQXAMPLRM-JSGCOSHPSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)CCc1cncn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104837 951888591 /nfs/dbraw/zinc/88/85/91/951888591.db2.gz FDDBRDLMOUUQTO-AWEZNQCLSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cc1cscn1 ZINC001575104868 951888603 /nfs/dbraw/zinc/88/86/03/951888603.db2.gz FTJONYFLALYFPQ-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)cc1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575106187 951902968 /nfs/dbraw/zinc/90/29/68/951902968.db2.gz QUMHWSBLCUQVRU-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncnc1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107124 951913221 /nfs/dbraw/zinc/91/32/21/951913221.db2.gz 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ZINC001571182674 952867338 /nfs/dbraw/zinc/86/73/38/952867338.db2.gz BJCUGSOSAGSWMC-UHFFFAOYSA-N 1 0 381.415 1.682 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001571182736 952868852 /nfs/dbraw/zinc/86/88/52/952868852.db2.gz CXYWJPSKMAUZQL-SHTZXODSSA-N 1 0 381.440 1.562 20 0 GDADRO CCc1ncoc1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571183087 952872739 /nfs/dbraw/zinc/87/27/39/952872739.db2.gz NXTBNAJLWBKYPR-HNNXBMFYSA-N 1 0 381.440 1.764 20 0 GDADRO Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)c1 ZINC001571183249 952875361 /nfs/dbraw/zinc/87/53/61/952875361.db2.gz ULHNCXVRPAKBHX-WKILWMFISA-N 1 0 381.415 1.760 20 0 GDADRO CCc1nc(C(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)co1 ZINC001571183294 952876230 /nfs/dbraw/zinc/87/62/30/952876230.db2.gz WANRXBLAYQOSSQ-DOMZBBRYSA-N 1 0 381.440 1.810 20 0 GDADRO COCc1cccc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571183403 952877590 /nfs/dbraw/zinc/87/75/90/952877590.db2.gz ZKMFRCMSCVDBQS-MRXNPFEDSA-N 1 0 381.440 1.346 20 0 GDADRO CC1(C)CN(C(=O)CCc2ccoc2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571183395 952877821 /nfs/dbraw/zinc/87/78/21/952877821.db2.gz ZERWTMPWXKBHBO-INIZCTEOSA-N 1 0 381.440 1.558 20 0 GDADRO Cc1nccnc1C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571189251 952926220 /nfs/dbraw/zinc/92/62/20/952926220.db2.gz OSPDOAAWKXXNGE-ZDUSSCGKSA-N 1 0 381.444 1.078 20 0 GDADRO Cc1ccnc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571196718 952983075 /nfs/dbraw/zinc/98/30/75/952983075.db2.gz MRZOLTCNRKZCJJ-AWEZNQCLSA-N 1 0 382.403 1.109 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CN1C(=O)c1cncnc1 ZINC001571197354 952988044 /nfs/dbraw/zinc/98/80/44/952988044.db2.gz XSIALIASVQEVIK-SMDDNHRTSA-N 1 0 382.403 1.189 20 0 GDADRO CCc1oncc1C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571198981 952994880 /nfs/dbraw/zinc/99/48/80/952994880.db2.gz JJSVSRFYMDJHFN-VXGBXAGGSA-N 1 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O=C([C@@H]1CCCOC1)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571210400 953072129 /nfs/dbraw/zinc/07/21/29/953072129.db2.gz QRPPNJFJQBRKND-RCCFBDPRSA-N 1 0 382.468 1.326 20 0 GDADRO O=C(C[C@H]1CCCO1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571210740 953073975 /nfs/dbraw/zinc/07/39/75/953073975.db2.gz WFCGMPLQEGQDJX-BDXSIMOUSA-N 1 0 382.468 1.657 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CC12CCOCC2 ZINC001571211739 953080859 /nfs/dbraw/zinc/08/08/59/953080859.db2.gz DSZHKORCQPHAIN-DOTOQJQBSA-N 1 0 382.468 1.374 20 0 GDADRO CN(C(=O)c1ccn(C)c1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571229704 953171706 /nfs/dbraw/zinc/17/17/06/953171706.db2.gz KKJLZBKHZCNMCB-UHFFFAOYSA-N 1 0 383.431 1.737 20 0 GDADRO Cc1cc(N2CCC3(C[C@H]3NC(=O)[C@H]3CCCO3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233484 953193024 /nfs/dbraw/zinc/19/30/24/953193024.db2.gz WGIHJLGPSKWYSC-HZPDHXFCSA-N 1 0 383.456 1.224 20 0 GDADRO C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)Cc1cscn1 ZINC001571234502 953202768 /nfs/dbraw/zinc/20/27/68/953202768.db2.gz ZXOHXUGXYNNMQT-MLGOLLRUSA-N 1 0 383.481 1.502 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571238933 953233961 /nfs/dbraw/zinc/23/39/61/953233961.db2.gz CODFVBAALVIDPL-BZNIZROVSA-N 1 0 384.419 1.132 20 0 GDADRO CN(C(=O)Cc1cnc[nH]1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239948 953244357 /nfs/dbraw/zinc/24/43/57/953244357.db2.gz VGBBZCUHYXZZNP-OAHLLOKOSA-N 1 0 384.419 1.004 20 0 GDADRO Cc1c[nH]c(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)n1 ZINC001571239936 953244681 /nfs/dbraw/zinc/24/46/81/953244681.db2.gz VCZDHJFWTPSQIZ-CYBMUJFWSA-N 1 0 384.419 1.432 20 0 GDADRO Cn1cc(C(=O)N2CCC([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)CC2)cn1 ZINC001571241727 953248941 /nfs/dbraw/zinc/24/89/41/953248941.db2.gz JXSKNCDTBKVTSN-UHFFFAOYSA-N 1 0 384.419 1.134 20 0 GDADRO Cc1ncc(C(=O)NC[C@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)[nH]1 ZINC001571242231 953254672 /nfs/dbraw/zinc/25/46/72/953254672.db2.gz XHYKWNDZJJMBSV-GFCCVEGCSA-N 1 0 384.419 1.289 20 0 GDADRO CCc1nc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571243119 953263416 /nfs/dbraw/zinc/26/34/16/953263416.db2.gz WREPYGBZVYPTNY-AULYBMBSSA-N 1 0 384.444 1.352 20 0 GDADRO C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571244858 953267323 /nfs/dbraw/zinc/26/73/23/953267323.db2.gz KOYQTVUBXXNDAQ-VXGBXAGGSA-N 1 0 384.469 1.216 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)c2nccs2)C1 ZINC001571245401 953273349 /nfs/dbraw/zinc/27/33/49/953273349.db2.gz HNUZACABRCYOEQ-VXGBXAGGSA-N 1 0 384.469 1.493 20 0 GDADRO CC(C)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571245468 953273814 /nfs/dbraw/zinc/27/38/14/953273814.db2.gz IZEMWRNDHMLVJO-DZVNLGKHSA-N 1 0 384.459 1.844 20 0 GDADRO CCc1nc(C)c(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571245606 953275533 /nfs/dbraw/zinc/27/55/33/953275533.db2.gz WOYPRNQMKWKTNJ-LLVKDONJSA-N 1 0 384.469 1.338 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)c1ccnnc1 ZINC001571247855 953287697 /nfs/dbraw/zinc/28/76/97/953287697.db2.gz GIPOMMRUFULRHT-UHFFFAOYSA-N 1 0 384.469 1.549 20 0 GDADRO Cc1oncc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571248069 953289058 /nfs/dbraw/zinc/28/90/58/953289058.db2.gz DFYXAVBRUNFZJQ-ZBEGNZNMSA-N 1 0 384.444 1.664 20 0 GDADRO CCOC1CC(C(=O)N2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001571248102 953289851 /nfs/dbraw/zinc/28/98/51/953289851.db2.gz LYZUBEDKHQKZAT-UHFFFAOYSA-N 1 0 384.484 1.716 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571248162 953290915 /nfs/dbraw/zinc/29/09/15/953290915.db2.gz MMBIEVCEBWXYBA-DDBAPUKQSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2CCOCC2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571248258 953291365 /nfs/dbraw/zinc/29/13/65/953291365.db2.gz OTFMIDXUUQUHIX-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cnsn1 ZINC001571248373 953292706 /nfs/dbraw/zinc/29/27/06/953292706.db2.gz RWLPMWYUSSQXSD-AWEZNQCLSA-N 1 0 384.469 1.503 20 0 GDADRO CN(C(=O)[C@@H]1CCCCO1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571248446 953293379 /nfs/dbraw/zinc/29/33/79/953293379.db2.gz UCZZKRQNJICIBI-SFHVURJKSA-N 1 0 384.484 1.859 20 0 GDADRO O=C(CC1CCCC1)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571249033 953299628 /nfs/dbraw/zinc/29/96/28/953299628.db2.gz BOIISXHORCHMLY-MSOLQXFVSA-N 1 0 384.484 1.498 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001571249189 953301496 /nfs/dbraw/zinc/30/14/96/953301496.db2.gz FOERLOZRFJZMSI-HOCLYGCPSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@H]1CN(C(=O)C[C@H]2CCCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571249129 953301688 /nfs/dbraw/zinc/30/16/88/953301688.db2.gz DPFWMPNZYHNTKQ-QGPMSJSTSA-N 1 0 384.484 1.620 20 0 GDADRO O=C(CC1CCCC1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571249173 953302012 /nfs/dbraw/zinc/30/20/12/953302012.db2.gz FIFJHKNWEIWRJK-SFHVURJKSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571249655 953306262 /nfs/dbraw/zinc/30/62/62/953306262.db2.gz KEGLFCRAZXBJBU-RHSMWYFYSA-N 1 0 384.488 1.077 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001571251142 953314719 /nfs/dbraw/zinc/31/47/19/953314719.db2.gz WGUQKUBFXUIOGU-OAHLLOKOSA-N 1 0 384.488 1.221 20 0 GDADRO Cc1cnc(C[NH2+]C[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C)o1 ZINC001571251188 953315816 /nfs/dbraw/zinc/31/58/16/953315816.db2.gz RTSLAUAESXXVTE-DGCLKSJQSA-N 1 0 384.444 1.379 20 0 GDADRO C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571251420 953317634 /nfs/dbraw/zinc/31/76/34/953317634.db2.gz 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384.488 1.585 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC001571252599 953331324 /nfs/dbraw/zinc/33/13/24/953331324.db2.gz QUGJFJYIMSJYIZ-LSDHHAIUSA-N 1 0 384.488 1.457 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)C[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001571255424 953348761 /nfs/dbraw/zinc/34/87/61/953348761.db2.gz OYAKMYIKFJIFLB-CYBMUJFWSA-N 1 0 385.403 1.588 20 0 GDADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)c1ccco1 ZINC001594994701 982881792 /nfs/dbraw/zinc/88/17/92/982881792.db2.gz PRDPNHDZKYCUNU-HRCADAONSA-N 1 0 380.489 1.899 20 0 GDADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C)c1ccco1 ZINC001594994703 982881985 /nfs/dbraw/zinc/88/19/85/982881985.db2.gz PRDPNHDZKYCUNU-XHSDSOJGSA-N 1 0 380.489 1.899 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)C[C@H]1C[NH+](C)C ZINC001598246491 991006244 /nfs/dbraw/zinc/00/62/44/991006244.db2.gz PNEOYSBCOGNIEN-CHWSQXEVSA-N 1 0 383.880 1.636 20 0 GDADRO 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ZINC000069082687 530794688 /nfs/dbraw/zinc/79/46/88/530794688.db2.gz SCIDLWXDFLSILW-ZIAGYGMSSA-N 1 0 376.567 1.370 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)o1 ZINC000182204340 530796375 /nfs/dbraw/zinc/79/63/75/530796375.db2.gz VQVJVKJSQBMFOL-UHFFFAOYSA-N 1 0 384.376 1.717 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000184639562 530830378 /nfs/dbraw/zinc/83/03/78/530830378.db2.gz GOCHCHCLNBQCJU-UHFFFAOYSA-N 1 0 384.274 1.915 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000184668732 530830733 /nfs/dbraw/zinc/83/07/33/530830733.db2.gz JOTDSDVTTVJVOA-UHFFFAOYSA-N 1 0 384.274 1.917 20 0 GDADRO CC[C@H]1c2ccsc2CCN1C(=O)CSc1nnnn1CC[NH+](C)C ZINC000102950975 530831433 /nfs/dbraw/zinc/83/14/33/530831433.db2.gz GJGOCWRXZKTDLE-ZDUSSCGKSA-N 1 0 380.543 1.924 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000103427838 530834777 /nfs/dbraw/zinc/83/47/77/530834777.db2.gz ISXBBILKXDVITD-UHFFFAOYSA-N 1 0 377.304 1.923 20 0 GDADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)C[C@H]21 ZINC000185059445 530835759 /nfs/dbraw/zinc/83/57/59/530835759.db2.gz QAWBPYXFWHZNGT-CFVMTHIKSA-N 1 0 383.539 1.271 20 0 GDADRO C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000183159691 530809867 /nfs/dbraw/zinc/80/98/67/530809867.db2.gz ZLXIPKXJLFJRLJ-STQMWFEESA-N 1 0 387.311 1.740 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NCC[C@@H](C)[NH3+])c1 ZINC000183139586 530809902 /nfs/dbraw/zinc/80/99/02/530809902.db2.gz SBVOQRCDKUTPHM-SECBINFHSA-N 1 0 379.276 1.641 20 0 GDADRO NC(=O)c1c(F)cc(Br)cc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000091733943 530810110 /nfs/dbraw/zinc/81/01/10/530810110.db2.gz ALHZKDXSVCMGRV-LLVKDONJSA-N 1 0 386.265 1.846 20 0 GDADRO COCCCCS(=O)(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000185084077 530836315 /nfs/dbraw/zinc/83/63/15/530836315.db2.gz LYRKVQLSHJUFKI-IRXDYDNUSA-N 1 0 376.563 1.954 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)s1 ZINC000183363845 530813851 /nfs/dbraw/zinc/81/38/51/530813851.db2.gz SPIXNXGYOHMDTQ-CHWSQXEVSA-N 1 0 380.557 1.280 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000096996793 530818925 /nfs/dbraw/zinc/81/89/25/530818925.db2.gz YWJJVVONNNANLN-UHFFFAOYSA-N 1 0 381.420 1.599 20 0 GDADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000097093960 530819540 /nfs/dbraw/zinc/81/95/40/530819540.db2.gz XMQIIHVNADKTHE-UHFFFAOYSA-N 1 0 388.555 1.831 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC000183953904 530822392 /nfs/dbraw/zinc/82/23/92/530822392.db2.gz LWHSFMUCIZQQDJ-UHFFFAOYSA-N 1 0 395.301 1.987 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)Cc1cccc(I)c1 ZINC000183976625 530822803 /nfs/dbraw/zinc/82/28/03/530822803.db2.gz AMUNGRNEYIRFEZ-UHFFFAOYSA-N 1 0 376.238 1.264 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ncc(Br)cc1Br ZINC000184098895 530824591 /nfs/dbraw/zinc/82/45/91/530824591.db2.gz QADGYTSURZPYTE-LBPRGKRZSA-N 1 0 395.095 1.649 20 0 GDADRO CC(C)(O)CN1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000106402529 530848122 /nfs/dbraw/zinc/84/81/22/530848122.db2.gz GCKFNXSLNVKWAM-UHFFFAOYSA-N 1 0 399.285 1.749 20 0 GDADRO CC(C)(O)CN1CCN(C(=O)c2ccc(I)cc2)CC1 ZINC000106398400 530848173 /nfs/dbraw/zinc/84/81/73/530848173.db2.gz PHKAETZRSSZCFN-UHFFFAOYSA-N 1 0 388.249 1.820 20 0 GDADRO CC[C@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000106403145 530848352 /nfs/dbraw/zinc/84/83/52/530848352.db2.gz YWAJTNJVXOMQOB-ZDUSSCGKSA-N 1 0 388.295 1.638 20 0 GDADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000185953925 530848787 /nfs/dbraw/zinc/84/87/87/530848787.db2.gz JUNOCJQULPSKCQ-QWHCGFSZSA-N 1 0 377.794 1.879 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccccc1Br ZINC000106895171 530850799 /nfs/dbraw/zinc/85/07/99/530850799.db2.gz WQFLYOVWKMERAZ-LBPRGKRZSA-N 1 0 376.320 1.363 20 0 GDADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000186314815 530855289 /nfs/dbraw/zinc/85/52/89/530855289.db2.gz 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CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000111267504 530872575 /nfs/dbraw/zinc/87/25/75/530872575.db2.gz PXXVXQXTWJKHQK-CQSZACIVSA-N 1 0 382.302 1.866 20 0 GDADRO CN(CCCNC(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1)S(C)(=O)=O ZINC000104707072 530839385 /nfs/dbraw/zinc/83/93/85/530839385.db2.gz HWNHJLZSCGAVIO-UHFFFAOYSA-N 1 0 387.933 1.707 20 0 GDADRO C[C@@H](CNC(=O)CSc1nnnn1CC(F)(F)F)[NH+]1CCC(C)CC1 ZINC000106019184 530845582 /nfs/dbraw/zinc/84/55/82/530845582.db2.gz WMXDZFUPMGYOFF-NSHDSACASA-N 1 0 380.440 1.564 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(I)c[nH]2)C[C@H](C)O1 ZINC000115324555 530898200 /nfs/dbraw/zinc/89/82/00/530898200.db2.gz XSKDNUHNZHIKQT-QWRGUYRKSA-N 1 0 391.253 1.848 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1OC ZINC000189298810 530911428 /nfs/dbraw/zinc/91/14/28/530911428.db2.gz RYFMMYUVZOLUOH-UHFFFAOYSA-N 1 0 391.287 1.664 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[NH+]2CCC1CC2 ZINC000188661647 530898487 /nfs/dbraw/zinc/89/84/87/530898487.db2.gz JWHMHLXLDRCAQR-UHFFFAOYSA-N 1 0 383.539 1.382 20 0 GDADRO CC(C)[C@H](CNC(=O)c1nc(Br)cs1)N1CC[NH+](C)CC1 ZINC000188867112 530902925 /nfs/dbraw/zinc/90/29/25/530902925.db2.gz KMXZXUPEGJYJSJ-NSHDSACASA-N 1 0 375.336 1.907 20 0 GDADRO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000116475109 530905511 /nfs/dbraw/zinc/90/55/11/530905511.db2.gz UQUPVFFQRIDEGS-JTQLQIEISA-N 1 0 397.273 1.683 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000111493544 530875582 /nfs/dbraw/zinc/87/55/82/530875582.db2.gz CJVPBGGCDJMQQG-CQSZACIVSA-N 1 0 399.333 1.905 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112635937 530883310 /nfs/dbraw/zinc/88/33/10/530883310.db2.gz LDLCWLKLGCZGTJ-UHFFFAOYSA-N 1 0 396.285 1.941 20 0 GDADRO COCC[NH+]1CCC(NC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000113156387 530886814 /nfs/dbraw/zinc/88/68/14/530886814.db2.gz BKBXBUHLGGAFTE-UHFFFAOYSA-N 1 0 385.306 1.751 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000114171214 530893231 /nfs/dbraw/zinc/89/32/31/530893231.db2.gz IZMJFDCGPMUILI-NSHDSACASA-N 1 0 388.331 1.879 20 0 GDADRO CC(C)C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)[NH+](C)C ZINC000114377562 530894736 /nfs/dbraw/zinc/89/47/36/530894736.db2.gz JBNRHOSCEDKTGE-NSHDSACASA-N 1 0 381.951 1.772 20 0 GDADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000114384032 530894865 /nfs/dbraw/zinc/89/48/65/530894865.db2.gz BMAXCYAANMCQCG-GFCCVEGCSA-N 1 0 387.311 1.475 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000119687639 530929842 /nfs/dbraw/zinc/92/98/42/530929842.db2.gz IARSFOHMUXRTPO-UHFFFAOYSA-N 1 0 378.441 1.755 20 0 GDADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189437885 530913288 /nfs/dbraw/zinc/91/32/88/530913288.db2.gz JUKUVBNQWBWGMF-LBPRGKRZSA-N 1 0 388.295 1.950 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc(I)c1 ZINC000118094861 530915837 /nfs/dbraw/zinc/91/58/37/530915837.db2.gz XUQVRWIRXDTLTE-UHFFFAOYSA-N 1 0 389.237 1.688 20 0 GDADRO 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GDADRO O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N[C@H]1CCC[NH2+]C1 ZINC000236762231 531040122 /nfs/dbraw/zinc/04/01/22/531040122.db2.gz LHHHJADFRRMSLD-LBPRGKRZSA-N 1 0 394.269 1.694 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)s1 ZINC000236796947 531040154 /nfs/dbraw/zinc/04/01/54/531040154.db2.gz UFZHIDQWDZNCCI-CYBMUJFWSA-N 1 0 387.571 1.812 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2ccc(C[NH3+])o2)s1 ZINC000236992974 531041769 /nfs/dbraw/zinc/04/17/69/531041769.db2.gz MBSMYXVLYFIYMV-UHFFFAOYSA-N 1 0 385.511 1.803 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000237077449 531042465 /nfs/dbraw/zinc/04/24/65/531042465.db2.gz RFCQNFYZUFBARN-UHFFFAOYSA-N 1 0 379.404 1.194 20 0 GDADRO C[NH2+]CCCC(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000237177471 531043323 /nfs/dbraw/zinc/04/33/23/531043323.db2.gz ZEMWHLYOZDPYBW-LBPRGKRZSA-N 1 0 392.237 1.147 20 0 GDADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000237282903 531044692 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C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000415203093 531468019 /nfs/dbraw/zinc/46/80/19/531468019.db2.gz QLCAHJHNOSBEOO-RNCFNFMXSA-N 1 0 390.893 1.946 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1cc(F)c(F)cc1I ZINC000415237986 531468095 /nfs/dbraw/zinc/46/80/95/531468095.db2.gz KNPAPNBELUANEL-ZETCQYMHSA-N 1 0 397.163 1.679 20 0 GDADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCn2cc(Br)cn2)cc1 ZINC000415234997 531468445 /nfs/dbraw/zinc/46/84/45/531468445.db2.gz ZINVVTHXVZRSOF-NSHDSACASA-N 1 0 394.273 1.762 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)C1 ZINC000415272822 531470229 /nfs/dbraw/zinc/47/02/29/531470229.db2.gz QQPYYJOBBQYXMC-LBPRGKRZSA-N 1 0 392.257 1.523 20 0 GDADRO NC(=O)[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Br)c1 ZINC000280070040 531471154 /nfs/dbraw/zinc/47/11/54/531471154.db2.gz XONSMKCEBYBXLH-RRFJBIMHSA-N 1 0 395.301 1.902 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000294283411 531471239 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[NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415354663 531478644 /nfs/dbraw/zinc/47/86/44/531478644.db2.gz NWRAGFBONADIHV-JTQLQIEISA-N 1 0 377.242 1.743 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415364237 531478958 /nfs/dbraw/zinc/47/89/58/531478958.db2.gz GPJKUPCCEHBDEM-UHFFFAOYSA-N 1 0 384.267 1.902 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000415361645 531479035 /nfs/dbraw/zinc/47/90/35/531479035.db2.gz UMNZKDBJFJOIAM-MNOVXSKESA-N 1 0 384.274 1.901 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000415359660 531479256 /nfs/dbraw/zinc/47/92/56/531479256.db2.gz KQBUBWGNICWSAN-UHFFFAOYSA-N 1 0 394.273 1.432 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000415374365 531480541 /nfs/dbraw/zinc/48/05/41/531480541.db2.gz VNUOSHDUTPZKSW-SNVBAGLBSA-N 1 0 387.267 1.245 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415372360 531480588 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C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000415395744 531482314 /nfs/dbraw/zinc/48/23/14/531482314.db2.gz GDWUWTWQKXACHD-UHFFFAOYSA-N 1 0 384.274 1.854 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1Br ZINC000415390083 531482425 /nfs/dbraw/zinc/48/24/25/531482425.db2.gz FZIHCURNTJIZMX-SNVBAGLBSA-N 1 0 384.274 1.982 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415390617 531482430 /nfs/dbraw/zinc/48/24/30/531482430.db2.gz HPYFIBFXJQXLOZ-JTQLQIEISA-N 1 0 398.257 1.290 20 0 GDADRO COc1cc(Br)cc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000415399423 531482974 /nfs/dbraw/zinc/48/29/74/531482974.db2.gz ROXAHIZGPVWJLY-LLVKDONJSA-N 1 0 399.289 1.777 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)cc1C(=O)OC ZINC000415407766 531483528 /nfs/dbraw/zinc/48/35/28/531483528.db2.gz BNTGUQVRCQYPHY-VIFPVBQESA-N 1 0 386.246 1.146 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000415415254 531483885 /nfs/dbraw/zinc/48/38/85/531483885.db2.gz HSAXIYMXUNBBJH-VIFPVBQESA-N 1 0 375.210 1.344 20 0 GDADRO O=C(Nc1ccncc1I)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415425808 531485277 /nfs/dbraw/zinc/48/52/77/531485277.db2.gz KXRPZIUYFBNESW-GXFFZTMASA-N 1 0 386.237 1.618 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000415441108 531486250 /nfs/dbraw/zinc/48/62/50/531486250.db2.gz AEBSEKMNEQVNMJ-CYBMUJFWSA-N 1 0 398.257 1.418 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)CC[NH2+]1 ZINC000415448333 531486671 /nfs/dbraw/zinc/48/66/71/531486671.db2.gz XXHUEVBKRDMBQR-LLVKDONJSA-N 1 0 392.257 1.394 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])cc1Cl ZINC000415552757 531493506 /nfs/dbraw/zinc/49/35/06/531493506.db2.gz NGTCVUMTUQVEGT-VIFPVBQESA-N 1 0 378.256 1.811 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415551992 531493517 /nfs/dbraw/zinc/49/35/17/531493517.db2.gz PUDBYNDWXWNICS-UHFFFAOYSA-N 1 0 398.179 1.964 20 0 GDADRO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000488718187 531488404 /nfs/dbraw/zinc/48/84/04/531488404.db2.gz LUSXNNCXTAWTMJ-KGLIPLIRSA-N 1 0 385.302 1.989 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000415464565 531489083 /nfs/dbraw/zinc/48/90/83/531489083.db2.gz DAJMPQKYELEIOJ-MADCSZMMSA-N 1 0 390.209 1.077 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415479388 531489764 /nfs/dbraw/zinc/48/97/64/531489764.db2.gz CAHROFNNEOGOEV-UHFFFAOYSA-N 1 0 394.273 1.965 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000415478891 531489907 /nfs/dbraw/zinc/48/99/07/531489907.db2.gz ZVUKZEAXOSSJIU-UHFFFAOYSA-N 1 0 375.878 1.316 20 0 GDADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cc(O)ccc2Br)C1=O ZINC000363531889 531490372 /nfs/dbraw/zinc/49/03/72/531490372.db2.gz BGNYNWGNSHNUFO-MEDUHNTESA-N 1 0 382.258 1.965 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415501160 531490579 /nfs/dbraw/zinc/49/05/79/531490579.db2.gz SZPBCRWSEPNUBX-VIFPVBQESA-N 1 0 376.201 1.876 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000488896125 531490690 /nfs/dbraw/zinc/49/06/90/531490690.db2.gz XWEMQARJTXWWOF-CYBMUJFWSA-N 1 0 385.486 1.876 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415495221 531491123 /nfs/dbraw/zinc/49/11/23/531491123.db2.gz NEDCSFLXMFTNHX-SECBINFHSA-N 1 0 376.201 1.876 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1ccc(I)c(O)c1 ZINC000545454871 531492339 /nfs/dbraw/zinc/49/23/39/531492339.db2.gz RXUBYHJTAAYPOW-UHFFFAOYSA-N 1 0 392.237 1.695 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000415543700 531492931 /nfs/dbraw/zinc/49/29/31/531492931.db2.gz DKKCHNDGKZVUPN-UHFFFAOYSA-N 1 0 378.654 1.393 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000487767210 531478247 /nfs/dbraw/zinc/47/82/47/531478247.db2.gz PLLOCLKJQAKCFG-WDEREUQCSA-N 1 0 394.324 1.586 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415663343 531510740 /nfs/dbraw/zinc/51/07/40/531510740.db2.gz WHRHTDLWGUZOPU-WRWORJQWSA-N 1 0 376.201 1.780 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000415679946 531511829 /nfs/dbraw/zinc/51/18/29/531511829.db2.gz PMEVSEZRYFULKL-ZDUSSCGKSA-N 1 0 398.305 1.896 20 0 GDADRO [NH3+]C[C@@H](NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1)C1CC1 ZINC000415672557 531512003 /nfs/dbraw/zinc/51/20/03/531512003.db2.gz KIHNBVLGQDPFDY-CYBMUJFWSA-N 1 0 384.278 1.540 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)C1 ZINC000635882971 531519470 /nfs/dbraw/zinc/51/94/70/531519470.db2.gz RWWKIQNRZWPTQJ-LRDDRELGSA-N 1 0 380.286 1.790 20 0 GDADRO CSCC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)N(C)C ZINC000489863316 531512732 /nfs/dbraw/zinc/51/27/32/531512732.db2.gz YVWPXWZZRRDUMJ-BBRMVZONSA-N 1 0 387.571 1.797 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000581733591 531513208 /nfs/dbraw/zinc/51/32/08/531513208.db2.gz YUFNUNMUEPKPLZ-NWDGAFQWSA-N 1 0 390.472 1.228 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000415683313 531513420 /nfs/dbraw/zinc/51/34/20/531513420.db2.gz SLLFYVPGYFGUOC-ZDUSSCGKSA-N 1 0 386.294 1.786 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000658539691 531513692 /nfs/dbraw/zinc/51/36/92/531513692.db2.gz GXJDMXVPVWZUJH-UHFFFAOYSA-N 1 0 380.286 1.896 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)Nc1cccc(Cl)c1 ZINC000415682799 531514014 /nfs/dbraw/zinc/51/40/14/531514014.db2.gz BHHDAQUTLREMKU-GFCCVEGCSA-N 1 0 378.782 1.231 20 0 GDADRO [NH3+]CC[C@H]1CCCCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000489935662 531514430 /nfs/dbraw/zinc/51/44/30/531514430.db2.gz QCZZUEHVGZZMLR-CYBMUJFWSA-N 1 0 397.317 1.707 20 0 GDADRO C[NH+](C)CC1CCN(C(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000581771143 531515499 /nfs/dbraw/zinc/51/54/99/531515499.db2.gz NUIQIAAQBOMSBO-UHFFFAOYSA-N 1 0 385.306 1.594 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCCNC1=O ZINC000295038214 531515649 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CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000415571537 531497428 /nfs/dbraw/zinc/49/74/28/531497428.db2.gz MSIHVNXCWSGWQH-GHMZBOCLSA-N 1 0 384.274 1.982 20 0 GDADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000581575990 531499804 /nfs/dbraw/zinc/49/98/04/531499804.db2.gz MHBTWHUVQAGDGC-WBVHZDCISA-N 1 0 376.563 1.546 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)CCO1 ZINC000415595635 531500405 /nfs/dbraw/zinc/50/04/05/531500405.db2.gz HLENJXDCLQNNQE-JTQLQIEISA-N 1 0 393.241 1.122 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1Cl ZINC000415605070 531501487 /nfs/dbraw/zinc/50/14/87/531501487.db2.gz NRQHSWSXEMFQPM-JTQLQIEISA-N 1 0 376.240 1.517 20 0 GDADRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000294851468 531501949 /nfs/dbraw/zinc/50/19/49/531501949.db2.gz SBIYXURBMHLBLZ-OAHLLOKOSA-N 1 0 385.283 1.637 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1Br ZINC000415612891 531502562 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GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000658409065 531506097 /nfs/dbraw/zinc/50/60/97/531506097.db2.gz XBRNGVDKPXAKBX-PSASIEDQSA-N 1 0 385.230 1.657 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CC[C@H]1F ZINC000658408674 531506929 /nfs/dbraw/zinc/50/69/29/531506929.db2.gz YBICSAJCKPOTSK-VXGBXAGGSA-N 1 0 383.367 1.039 20 0 GDADRO CC[NH+](CC)CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000635735886 531507494 /nfs/dbraw/zinc/50/74/94/531507494.db2.gz HCYBXFUAIZBAFE-INIZCTEOSA-N 1 0 375.579 1.322 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000557035682 531507779 /nfs/dbraw/zinc/50/77/79/531507779.db2.gz AZNJGEBWBRCUFC-AWEZNQCLSA-N 1 0 385.555 1.749 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415653001 531508423 /nfs/dbraw/zinc/50/84/23/531508423.db2.gz LVKIUUFRKAQDRG-CMPLNLGQSA-N 1 0 384.274 1.901 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc(OC)c1Br ZINC000415657875 531508443 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[NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC[C@H]1F ZINC000659109659 531542352 /nfs/dbraw/zinc/54/23/52/531542352.db2.gz LBEHITZMAMEKGY-HTRCEHHLSA-N 1 0 380.164 1.564 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659106588 531542943 /nfs/dbraw/zinc/54/29/43/531542943.db2.gz SEHFEYPZDPXBBU-GFCCVEGCSA-N 1 0 389.905 1.562 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c(Br)c1 ZINC000415852872 531543204 /nfs/dbraw/zinc/54/32/04/531543204.db2.gz SAZDIOBQUAIHPV-QWRGUYRKSA-N 1 0 384.274 1.840 20 0 GDADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1c(F)cccc1Br)C(F)(F)F ZINC000415849710 531543331 /nfs/dbraw/zinc/54/33/31/531543331.db2.gz ZGVMPNCCFSIIIF-QMMMGPOBSA-N 1 0 386.143 1.923 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415857497 531544682 /nfs/dbraw/zinc/54/46/82/531544682.db2.gz CSYLDLODTNKKNS-JTQLQIEISA-N 1 0 393.241 1.040 20 0 GDADRO O=C(Nc1ccc2nccnc2c1Br)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415868625 531545958 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COc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415899443 531550633 /nfs/dbraw/zinc/55/06/33/531550633.db2.gz VAQNXTRHCFTZHU-QWRGUYRKSA-N 1 0 382.258 1.464 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000659676171 531550985 /nfs/dbraw/zinc/55/09/85/531550985.db2.gz FPRHEGWZONPHRP-DGCLKSJQSA-N 1 0 387.311 1.803 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659674695 531551545 /nfs/dbraw/zinc/55/15/45/531551545.db2.gz OLDJVOGDPXRSBK-FFLHNBHYSA-N 1 0 380.286 1.446 20 0 GDADRO NC(=O)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)Cc1ccccc1Cl ZINC000416002251 531552415 /nfs/dbraw/zinc/55/24/15/531552415.db2.gz DLGKAQFKXASHTM-CMPLNLGQSA-N 1 0 380.798 1.563 20 0 GDADRO C[NH2+]C[C@](C)(O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000582067653 531532919 /nfs/dbraw/zinc/53/29/19/531532919.db2.gz CVZHVAHCXAQCGD-HNNXBMFYSA-N 1 0 396.340 1.270 20 0 GDADRO NS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415958632 531553139 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O=C(Nc1cc(Cl)ccc1OC(F)(F)F)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415812898 531536203 /nfs/dbraw/zinc/53/62/03/531536203.db2.gz FHRUZMHNSLIGIA-KCJUWKMLSA-N 1 0 377.750 1.997 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000659692944 531554905 /nfs/dbraw/zinc/55/49/05/531554905.db2.gz BSLFNEQFCQASJQ-LLVKDONJSA-N 1 0 386.315 1.908 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000659702321 531555646 /nfs/dbraw/zinc/55/56/46/531555646.db2.gz OZULECCBGDPLFH-GFCCVEGCSA-N 1 0 376.288 1.406 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000582921299 531558402 /nfs/dbraw/zinc/55/84/02/531558402.db2.gz VUALYWJLMUKPEF-TZMCWYRMSA-N 1 0 392.518 1.694 20 0 GDADRO CCN1CCOC[C@@H]1C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000552786277 531559291 /nfs/dbraw/zinc/55/92/91/531559291.db2.gz VSDUYAKWHJJIJL-MRXNPFEDSA-N 1 0 382.302 1.818 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000659736159 531559266 /nfs/dbraw/zinc/55/92/66/531559266.db2.gz LKKGFMPHMIZHQR-UHFFFAOYSA-N 1 0 388.295 1.966 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000659739124 531559303 /nfs/dbraw/zinc/55/93/03/531559303.db2.gz ODSFSPURUQXVGT-VIFPVBQESA-N 1 0 377.329 1.963 20 0 GDADRO CCN1CCOC[C@H]1C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000552786276 531559398 /nfs/dbraw/zinc/55/93/98/531559398.db2.gz VSDUYAKWHJJIJL-INIZCTEOSA-N 1 0 382.302 1.818 20 0 GDADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CCN1C ZINC000295321256 531559492 /nfs/dbraw/zinc/55/94/92/531559492.db2.gz WKWRNFQMNMGVJB-VXGBXAGGSA-N 1 0 394.946 1.847 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000659751918 531559720 /nfs/dbraw/zinc/55/97/20/531559720.db2.gz XGYOBXDYDSOIIG-SWLSCSKDSA-N 1 0 397.317 1.576 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000636570247 531563304 /nfs/dbraw/zinc/56/33/04/531563304.db2.gz IIGQSTAESBLAPB-AWEZNQCLSA-N 1 0 394.313 1.974 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c2ncc(Br)cc12)N1CC[NH+](C)CC1 ZINC000280988413 531564048 /nfs/dbraw/zinc/56/40/48/531564048.db2.gz STNSGXRKHURDJD-NSHDSACASA-N 1 0 380.290 1.691 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1nc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000416181502 531565588 /nfs/dbraw/zinc/56/55/88/531565588.db2.gz SCSDIOIDTSPVKM-ZDUSSCGKSA-N 1 0 385.555 1.603 20 0 GDADRO O=C(CCNC(=O)NCC[N@H+]1CC[C@H](O)C1)Nc1ccc(Br)cc1 ZINC000636618577 531567123 /nfs/dbraw/zinc/56/71/23/531567123.db2.gz IGMBAHHEACGXSC-AWEZNQCLSA-N 1 0 399.289 1.144 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000659682841 531553886 /nfs/dbraw/zinc/55/38/86/531553886.db2.gz OYVWQBFUCXTTFZ-LBCLYVMASA-N 1 0 394.269 1.257 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1ccc(Br)cc1 ZINC000659710721 531554746 /nfs/dbraw/zinc/55/47/46/531554746.db2.gz SPRPKQWRURTKJS-UHFFFAOYSA-N 1 0 394.313 1.711 20 0 GDADRO COc1ccc(Br)cc1C1(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000416205595 531569727 /nfs/dbraw/zinc/56/97/27/531569727.db2.gz SZJABPPDKOLPAO-INIZCTEOSA-N 1 0 383.286 1.672 20 0 GDADRO CC(C)O[C@]1(CS(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)CCOC1 ZINC000659935531 531573409 /nfs/dbraw/zinc/57/34/09/531573409.db2.gz BYBBENFDAHDARV-GOSISDBHSA-N 1 0 376.563 1.954 20 0 GDADRO C[N@H+](CC(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O)[C@@H]1CCSC1 ZINC000553650041 531570449 /nfs/dbraw/zinc/57/04/49/531570449.db2.gz ZDFNVOPWQBHBEH-ZIAGYGMSSA-N 1 0 398.326 1.718 20 0 GDADRO CCN(CCC[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1)S(C)(=O)=O ZINC000268789241 531570588 /nfs/dbraw/zinc/57/05/88/531570588.db2.gz LJSYLMVLVZDKHA-CQSZACIVSA-N 1 0 391.559 1.770 20 0 GDADRO C[C@@H](NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000553656878 531570975 /nfs/dbraw/zinc/57/09/75/531570975.db2.gz OPKQIWJCFDMGEY-GHMZBOCLSA-N 1 0 390.472 1.084 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268807618 531572858 /nfs/dbraw/zinc/57/28/58/531572858.db2.gz CVTWLHHPLYLEAW-FZMZJTMJSA-N 1 0 382.404 1.281 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000583371702 531573728 /nfs/dbraw/zinc/57/37/28/531573728.db2.gz ZXTPVQYQDIGZHB-FDRIWYBQSA-N 1 0 380.286 1.617 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000636726083 531576158 /nfs/dbraw/zinc/57/61/58/531576158.db2.gz WJRASDVFVQYGGD-HOCLYGCPSA-N 1 0 397.317 1.394 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000636770626 531577578 /nfs/dbraw/zinc/57/75/78/531577578.db2.gz VNOWUHMJNGJIOO-KGLIPLIRSA-N 1 0 397.317 1.394 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000554956743 531581619 /nfs/dbraw/zinc/58/16/19/531581619.db2.gz LLADSRWEBUIAPZ-MRXNPFEDSA-N 1 0 385.555 1.980 20 0 GDADRO CN(CCN(C)S(=O)(=O)CCOCC1CCCC1)C1CC[NH+](C)CC1 ZINC000416368535 531581944 /nfs/dbraw/zinc/58/19/44/531581944.db2.gz HQANRSXCNHAQQX-UHFFFAOYSA-N 1 0 375.579 1.481 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c1 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O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000618363839 531685895 /nfs/dbraw/zinc/68/58/95/531685895.db2.gz AIYLZGUYNIDHQV-IRXDYDNUSA-N 1 0 394.313 1.739 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C2 ZINC000662739044 531693978 /nfs/dbraw/zinc/69/39/78/531693978.db2.gz LBFVVOLTFHZOEE-LBPRGKRZSA-N 1 0 375.288 1.362 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]Cc2cnc3cnccn23)CC1)C(F)(F)F ZINC000269576456 531694235 /nfs/dbraw/zinc/69/42/35/531694235.db2.gz OGDHSEIVDMNVGN-UHFFFAOYSA-N 1 0 377.392 1.381 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)Nc1ncc(Br)cc1S(N)(=O)=O ZINC000504039737 531698736 /nfs/dbraw/zinc/69/87/36/531698736.db2.gz CDCHTSYOMUZITP-JTQLQIEISA-N 1 0 377.308 1.778 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C[NH+]1CCCC1 ZINC000282068054 531700380 /nfs/dbraw/zinc/70/03/80/531700380.db2.gz DEKUTZILXBADCU-NSHDSACASA-N 1 0 384.893 1.530 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000662567098 531689788 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C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000621619927 531754731 /nfs/dbraw/zinc/75/47/31/531754731.db2.gz KGPMOSQSSZGIPP-LLVKDONJSA-N 1 0 379.262 1.496 20 0 GDADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000666239427 531755825 /nfs/dbraw/zinc/75/58/25/531755825.db2.gz KHBIDBDXRXBECR-ZJUUUORDSA-N 1 0 392.319 1.489 20 0 GDADRO [NH3+]C1CCC(NC(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000417204350 531756519 /nfs/dbraw/zinc/75/65/19/531756519.db2.gz FKVAXNNYTRYDON-UHFFFAOYSA-N 1 0 383.290 1.748 20 0 GDADRO O=C(NCc1cn2cc(Br)ccc2n1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417197443 531757180 /nfs/dbraw/zinc/75/71/80/531757180.db2.gz ASPKIBOIJXELCJ-SMDDNHRTSA-N 1 0 378.274 1.990 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000366552735 531758702 /nfs/dbraw/zinc/75/87/02/531758702.db2.gz DPHZKYSNPXVSKV-AWEZNQCLSA-N 1 0 391.269 1.417 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)Nc1cn(C)cc(Br)c1=O ZINC000666690369 531759511 /nfs/dbraw/zinc/75/95/11/531759511.db2.gz 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[NH3+][C@@H](c1cn(Cc2cc3c(cc2Br)OCO3)nn1)[C@@H]1CCCO1 ZINC000640852425 531768644 /nfs/dbraw/zinc/76/86/44/531768644.db2.gz GADRDWJPPUIKJO-WFASDCNBSA-N 1 0 381.230 1.996 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)NCCNC(=O)c1cccc(Br)c1 ZINC000417432686 531769349 /nfs/dbraw/zinc/76/93/49/531769349.db2.gz LTTXWGFHKYCQPD-UHFFFAOYSA-N 1 0 383.290 1.620 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)[C@@H]1SC ZINC000592168435 531769688 /nfs/dbraw/zinc/76/96/88/531769688.db2.gz IXVRXRDHSDETPB-ANQUJSFKSA-N 1 0 392.587 1.157 20 0 GDADRO C[C@@H]1CN(C(=O)NCCCNC(=O)c2cccc(Br)c2)C[C@H]1[NH3+] ZINC000417440593 531770720 /nfs/dbraw/zinc/77/07/20/531770720.db2.gz YWBUSDDMFXTHEK-BXUZGUMPSA-N 1 0 383.290 1.558 20 0 GDADRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000622145878 531770923 /nfs/dbraw/zinc/77/09/23/531770923.db2.gz AUMFUBNLLBAWRD-CYBMUJFWSA-N 1 0 384.479 1.128 20 0 GDADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000592204273 531772552 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GDADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CS(=O)(=O)C[C@H]1OC ZINC000668506556 531801981 /nfs/dbraw/zinc/80/19/81/531801981.db2.gz KIYJHXNIKNVJGM-VZJVUDMVSA-N 1 0 390.889 1.467 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000622858478 531787564 /nfs/dbraw/zinc/78/75/64/531787564.db2.gz PWCPRJJAUCOXRY-LLVKDONJSA-N 1 0 381.278 1.885 20 0 GDADRO C[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)Oc1ccccc1Br ZINC000417816892 531787588 /nfs/dbraw/zinc/78/75/88/531787588.db2.gz DEKCREWYJDZYRL-OLZOCXBDSA-N 1 0 386.290 1.976 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000510380637 531789412 /nfs/dbraw/zinc/78/94/12/531789412.db2.gz OBWLTCGWGAMXBD-JTQLQIEISA-N 1 0 397.328 1.521 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c(C)s1 ZINC000417907858 531789723 /nfs/dbraw/zinc/78/97/23/531789723.db2.gz FXJJMNLOCHFUPF-UONOGXRCSA-N 1 0 388.559 1.460 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(F)cc1 ZINC000562942885 531790027 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COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000592491268 531791346 /nfs/dbraw/zinc/79/13/46/531791346.db2.gz IWMIFCHHPVDETE-SWLSCSKDSA-N 1 0 398.301 1.463 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@@H](C[NH3+])C3)C2)s1 ZINC000297444505 531792176 /nfs/dbraw/zinc/79/21/76/531792176.db2.gz VGTZCNFQPGVQFN-GJZGRUSLSA-N 1 0 385.555 1.655 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000417925834 531792866 /nfs/dbraw/zinc/79/28/66/531792866.db2.gz JYCBYFULPGPJIZ-SNVBAGLBSA-N 1 0 382.939 1.497 20 0 GDADRO CCOC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccccc2Br)[nH]n1 ZINC000592504528 531792930 /nfs/dbraw/zinc/79/29/30/531792930.db2.gz ZUCKZDGVZDZYAX-LBPRGKRZSA-N 1 0 398.257 1.878 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000417941471 531792990 /nfs/dbraw/zinc/79/29/90/531792990.db2.gz ZYNDRLZEIWDUAE-UWVGGRQHSA-N 1 0 380.923 1.249 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623019515 531793333 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GDADRO C[NH2+]CCN(C)C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000418013206 531797162 /nfs/dbraw/zinc/79/71/62/531797162.db2.gz MUFNJHPZTYKKQX-AWEZNQCLSA-N 1 0 383.290 1.724 20 0 GDADRO O=c1ccc(Br)cn1CC[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000563001242 531797663 /nfs/dbraw/zinc/79/76/63/531797663.db2.gz RHJIIGMEVXJKHQ-AWEZNQCLSA-N 1 0 385.233 1.779 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000512277330 531799048 /nfs/dbraw/zinc/79/90/48/531799048.db2.gz GPNWIXIKFSJGQJ-NEPJUHHUSA-N 1 0 383.297 1.486 20 0 GDADRO Cc1cccc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1Br ZINC000418057108 531799741 /nfs/dbraw/zinc/79/97/41/531799741.db2.gz LRPIIOFSEMJQMX-AWEZNQCLSA-N 1 0 397.317 1.754 20 0 GDADRO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)Nc1ccc(Br)cn1 ZINC000367020390 531799785 /nfs/dbraw/zinc/79/97/85/531799785.db2.gz MXWRGCIDHOQYBA-WCQYABFASA-N 1 0 381.274 1.773 20 0 GDADRO CN(C)c1nccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000516454077 531818734 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C[C@H]1CN(C(=O)NCCOc2ccc(I)cc2)CC[NH2+]1 ZINC000418157362 531808743 /nfs/dbraw/zinc/80/87/43/531808743.db2.gz OEDZKMWVXAMMOE-NSHDSACASA-N 1 0 389.237 1.673 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000418160676 531808868 /nfs/dbraw/zinc/80/88/68/531808868.db2.gz DMFGWANXIPRRJY-LLVKDONJSA-N 1 0 395.312 1.308 20 0 GDADRO C[N@@H+]1CC[C@H](NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1(C)C ZINC000623355201 531810092 /nfs/dbraw/zinc/81/00/92/531810092.db2.gz CYDHOIRYDBWEKI-AWEZNQCLSA-N 1 0 387.571 1.731 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)C(F)F ZINC000418164293 531811461 /nfs/dbraw/zinc/81/14/61/531811461.db2.gz ICLIHQSUHVIAFV-WDEREUQCSA-N 1 0 396.485 1.040 20 0 GDADRO OC[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@@H]1O ZINC000515477178 531811668 /nfs/dbraw/zinc/81/16/68/531811668.db2.gz ZITSWFDTHIJYCR-XEGUGMAKSA-N 1 0 378.238 1.003 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000563140689 531812514 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ZINC000418262545 531817821 /nfs/dbraw/zinc/81/78/21/531817821.db2.gz ILSSNKGVHGDYPT-WDEREUQCSA-N 1 0 396.289 1.973 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)[C@H]2CCOC[C@@H]2C)CC1 ZINC000641402555 531817975 /nfs/dbraw/zinc/81/79/75/531817975.db2.gz LKFNVMAWEQZJRL-WMZOPIPTSA-N 1 0 376.563 1.812 20 0 GDADRO C[NH2+]CCNC(=O)N(CCNC(C)=O)Cc1ccc(Br)s1 ZINC000418322883 531821869 /nfs/dbraw/zinc/82/18/69/531821869.db2.gz FKYFJOFCNORWCO-UHFFFAOYSA-N 1 0 377.308 1.378 20 0 GDADRO CS(=O)(=O)NC1CC([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000669832322 531821849 /nfs/dbraw/zinc/82/18/49/531821849.db2.gz YNCKDLIUUNGAMY-UHFFFAOYSA-N 1 0 377.260 1.348 20 0 GDADRO CN(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000367231216 531823153 /nfs/dbraw/zinc/82/31/53/531823153.db2.gz NLGMFJQBOLHFTQ-SOUVJXGZSA-N 1 0 375.535 1.503 20 0 GDADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000418387964 531823180 /nfs/dbraw/zinc/82/31/80/531823180.db2.gz UNZMYQNOTNGCJO-IAQYHMDHSA-N 1 0 386.290 1.885 20 0 GDADRO [NH3+]C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000418398862 531824626 /nfs/dbraw/zinc/82/46/26/531824626.db2.gz KQPLIALDHCNKPJ-HNNXBMFYSA-N 1 0 386.905 1.093 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000418475826 531826547 /nfs/dbraw/zinc/82/65/47/531826547.db2.gz RNXQXGYZMMYBPX-NSHDSACASA-N 1 0 375.336 1.933 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418516754 531827689 /nfs/dbraw/zinc/82/76/89/531827689.db2.gz CSHDVLLJXSFASM-JQWIXIFHSA-N 1 0 376.270 1.776 20 0 GDADRO C[C@H](C[NH3+])NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000418514886 531827764 /nfs/dbraw/zinc/82/77/64/531827764.db2.gz PESODBMWPBFUBT-LLVKDONJSA-N 1 0 389.283 1.573 20 0 GDADRO C[C@H](C[NH3+])NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000418507074 531828083 /nfs/dbraw/zinc/82/80/83/531828083.db2.gz AXQMQNJZDSIIPD-GHMZBOCLSA-N 1 0 384.278 1.551 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)N[C@H](C)C[NH3+] ZINC000418512521 531828089 /nfs/dbraw/zinc/82/80/89/531828089.db2.gz FSDWHRAIICYSQQ-SECBINFHSA-N 1 0 377.308 1.506 20 0 GDADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000641472497 531828208 /nfs/dbraw/zinc/82/82/08/531828208.db2.gz UDYAVXMBMMXCDT-CQSZACIVSA-N 1 0 375.441 1.833 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000418524478 531829458 /nfs/dbraw/zinc/82/94/58/531829458.db2.gz LOJVNGMQBBFITH-GHMZBOCLSA-N 1 0 376.270 1.776 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)C[C@@H]1[NH+](C)C ZINC000283097818 531829481 /nfs/dbraw/zinc/82/94/81/531829481.db2.gz FWSOVHFFTZUTQH-KBPBESRZSA-N 1 0 389.518 1.194 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000563364537 531829646 /nfs/dbraw/zinc/82/96/46/531829646.db2.gz PADDZVWICCYIHV-DOMZBBRYSA-N 1 0 379.270 1.150 20 0 GDADRO C[NH2+]CCCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000418279728 531819393 /nfs/dbraw/zinc/81/93/93/531819393.db2.gz PXOWZYZEZJTIQZ-LBPRGKRZSA-N 1 0 398.305 1.814 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)N1CCc2ccc(Br)cc2C1 ZINC000418295601 531819737 /nfs/dbraw/zinc/81/97/37/531819737.db2.gz IAFSRKUTYJKPDJ-UHFFFAOYSA-N 1 0 381.318 1.812 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NCCN1CC[NH2+]CC1 ZINC000418293547 531820037 /nfs/dbraw/zinc/82/00/37/531820037.db2.gz DXUSXHRWDAFDRY-ZDUSSCGKSA-N 1 0 381.318 1.811 20 0 GDADRO Cc1cc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1Br ZINC000418280466 531820425 /nfs/dbraw/zinc/82/04/25/531820425.db2.gz MBVJEJZJPUUXIF-AWEZNQCLSA-N 1 0 397.317 1.754 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)N[C@@H](CO)c1cccc(Br)c1 ZINC000418296432 531820697 /nfs/dbraw/zinc/82/06/97/531820697.db2.gz JIHVDTNFQCHOHO-HNNXBMFYSA-N 1 0 385.306 1.077 20 0 GDADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418353117 531821191 /nfs/dbraw/zinc/82/11/91/531821191.db2.gz ABOJYLQAPISWEL-UKRRQHHQSA-N 1 0 384.318 1.960 20 0 GDADRO CN(CCn1cc(Br)cn1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418340143 531821482 /nfs/dbraw/zinc/82/14/82/531821482.db2.gz NIAXBNFRMTXVQQ-UHFFFAOYSA-N 1 0 395.305 1.862 20 0 GDADRO C[NH2+]CCNC(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000418327381 531821532 /nfs/dbraw/zinc/82/15/32/531821532.db2.gz MIFIADLCIFHYGX-UHFFFAOYSA-N 1 0 388.306 1.960 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000367374290 531832661 /nfs/dbraw/zinc/83/26/61/531832661.db2.gz HGTBXQJPCJERHY-QEJZJMRPSA-N 1 0 398.276 1.960 20 0 GDADRO COC[C@]1(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)CCC[NH2+]1 ZINC000418630037 531833192 /nfs/dbraw/zinc/83/31/92/531833192.db2.gz DTAFRRVPNICIAH-GDBMZVCRSA-N 1 0 386.290 1.550 20 0 GDADRO CCN(CCc1nccs1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418621658 531833716 /nfs/dbraw/zinc/83/37/16/531833716.db2.gz TZXGJLFEZKGOFB-LBPRGKRZSA-N 1 0 379.452 1.553 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494799 531835394 /nfs/dbraw/zinc/83/53/94/531835394.db2.gz MVTFNFAFHJDGHV-UHFFFAOYSA-N 1 0 390.311 1.689 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000418735956 531835799 /nfs/dbraw/zinc/83/57/99/531835799.db2.gz UAWWAGHYBBGRBK-MFKMUULPSA-N 1 0 376.270 1.776 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)N(CCO)Cc1ccc(Br)s1 ZINC000418764571 531837152 /nfs/dbraw/zinc/83/71/52/531837152.db2.gz KRVMTKCCWNALHD-JTQLQIEISA-N 1 0 378.292 1.003 20 0 GDADRO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418755468 531837379 /nfs/dbraw/zinc/83/73/79/531837379.db2.gz XNECZBNXUCBSLB-NEPJUHHUSA-N 1 0 396.207 1.918 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000418760737 531837928 /nfs/dbraw/zinc/83/79/28/531837928.db2.gz KKDABMJEHYUTGT-DOTOQJQBSA-N 1 0 395.345 1.927 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])c(Cl)cc21 ZINC000624356155 531837969 /nfs/dbraw/zinc/83/79/69/531837969.db2.gz QCXZWEUOGRIREU-BDJLRTHQSA-N 1 0 385.917 1.997 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H](O)COc2ccccc2Br)C1 ZINC000418777906 531839380 /nfs/dbraw/zinc/83/93/80/531839380.db2.gz ZAQMGIMINGXEAZ-UPJWGTAASA-N 1 0 386.290 1.615 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000624358897 531839602 /nfs/dbraw/zinc/83/96/02/531839602.db2.gz XZKLIZPEKYJHDF-OLZOCXBDSA-N 1 0 375.441 1.878 20 0 GDADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000624376207 531839784 /nfs/dbraw/zinc/83/97/84/531839784.db2.gz KYNXFSFWOQYXQU-LBPRGKRZSA-N 1 0 377.388 1.032 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000418583860 531831263 /nfs/dbraw/zinc/83/12/63/531831263.db2.gz AXQMQNJZDSIIPD-WDEREUQCSA-N 1 0 384.278 1.551 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000367374901 531831667 /nfs/dbraw/zinc/83/16/67/531831667.db2.gz NJIGDLKUGHSWQE-QWRGUYRKSA-N 1 0 393.278 1.625 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418580359 531831701 /nfs/dbraw/zinc/83/17/01/531831701.db2.gz SNJVYHRFBKVDPI-IVMMDQJWSA-N 1 0 384.318 1.897 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000418588080 531831886 /nfs/dbraw/zinc/83/18/86/531831886.db2.gz FDZGPALFUVZNFK-BXUZGUMPSA-N 1 0 383.290 1.630 20 0 GDADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000367368685 531832050 /nfs/dbraw/zinc/83/20/50/531832050.db2.gz VZKFKQQDNXIKLU-CABCVRRESA-N 1 0 378.535 1.673 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C[C@H]1C[NH3+] ZINC000418832710 531848835 /nfs/dbraw/zinc/84/88/35/531848835.db2.gz PZTFKEHSMBOPET-UNIGVISCSA-N 1 0 394.313 1.865 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418837166 531850511 /nfs/dbraw/zinc/85/05/11/531850511.db2.gz VTABDRFFMTUYSG-DUVNUKRYSA-N 1 0 394.313 1.879 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000418838597 531850593 /nfs/dbraw/zinc/85/05/93/531850593.db2.gz VQKNTTITEBXXLL-JJRVBVJISA-N 1 0 380.286 1.619 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](CO)COC ZINC000641751465 531851326 /nfs/dbraw/zinc/85/13/26/531851326.db2.gz YDOWEFKDLPESMT-GWCFXTLKSA-N 1 0 375.263 1.059 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418846256 531852419 /nfs/dbraw/zinc/85/24/19/531852419.db2.gz QWLNJBXNXXCDDW-SWLSCSKDSA-N 1 0 398.301 1.073 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1nc(C2CC2)ncc1Br ZINC000454275529 531852817 /nfs/dbraw/zinc/85/28/17/531852817.db2.gz NUCXYJRDLKKPIM-GFCCVEGCSA-N 1 0 383.290 1.693 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000418846257 531853193 /nfs/dbraw/zinc/85/31/93/531853193.db2.gz QWLNJBXNXXCDDW-WFASDCNBSA-N 1 0 398.301 1.073 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418846668 531853318 /nfs/dbraw/zinc/85/33/18/531853318.db2.gz SHDOCVLWBDWRMV-ZOWXZIJZSA-N 1 0 382.302 1.611 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418846678 531853325 /nfs/dbraw/zinc/85/33/25/531853325.db2.gz SKFHBJKPTDVSRQ-OCCSQVGLSA-N 1 0 382.302 1.612 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N(C)CCC[NH3+])C2=O)ccc1Br ZINC000563584878 531853964 /nfs/dbraw/zinc/85/39/64/531853964.db2.gz RGQQMCBBLYREQC-CQSZACIVSA-N 1 0 383.290 1.853 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418848636 531854580 /nfs/dbraw/zinc/85/45/80/531854580.db2.gz ZKEVWLJFIPHLSH-XUJVJEKNSA-N 1 0 382.302 1.753 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000624389582 531841298 /nfs/dbraw/zinc/84/12/98/531841298.db2.gz DVDPYHLRCDEFTI-JQWIXIFHSA-N 1 0 399.460 1.532 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000624397586 531842367 /nfs/dbraw/zinc/84/23/67/531842367.db2.gz DTXQHSOHOBOGKO-UHFFFAOYSA-N 1 0 383.283 1.586 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1OC ZINC000624403998 531842608 /nfs/dbraw/zinc/84/26/08/531842608.db2.gz FLCZIGIEELHELV-ONGXEEELSA-N 1 0 375.878 1.127 20 0 GDADRO COc1cc(CS(=O)(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)sn1 ZINC000641620739 531843669 /nfs/dbraw/zinc/84/36/69/531843669.db2.gz ZVWUZVNJMZXPRW-ZDUSSCGKSA-N 1 0 389.543 1.557 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)NCCOCCC[NH3+] ZINC000624407321 531844097 /nfs/dbraw/zinc/84/40/97/531844097.db2.gz YPMIQSDZQMLZMQ-UHFFFAOYSA-N 1 0 381.292 1.492 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000641623594 531844374 /nfs/dbraw/zinc/84/43/74/531844374.db2.gz JMSRUSZIHNMFRT-ZFWWWQNUSA-N 1 0 389.543 1.226 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367534476 531844643 /nfs/dbraw/zinc/84/46/43/531844643.db2.gz WATFXYOFTGFZBY-LBPRGKRZSA-N 1 0 384.274 1.841 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000418815887 531844874 /nfs/dbraw/zinc/84/48/74/531844874.db2.gz XSOVJVHMRMDBIX-ITDIGPHOSA-N 1 0 398.276 1.628 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc(F)cc3Br)C[C@H]12 ZINC000418816503 531846078 /nfs/dbraw/zinc/84/60/78/531846078.db2.gz LWSDXDBUYSJXQU-VHRBIJSZSA-N 1 0 384.249 1.400 20 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531866949 /nfs/dbraw/zinc/86/69/49/531866949.db2.gz AXHWNTJLIUMQAN-SYQHCUMBSA-N 1 0 380.539 1.264 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000418938640 531867461 /nfs/dbraw/zinc/86/74/61/531867461.db2.gz HAPPXSHXDIVEAS-HNNXBMFYSA-N 1 0 380.286 1.750 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000418941427 531867505 /nfs/dbraw/zinc/86/75/05/531867505.db2.gz KRITUPQLRZJFRK-DGFSRKRXSA-N 1 0 380.286 1.796 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418853301 531855692 /nfs/dbraw/zinc/85/56/92/531855692.db2.gz JDGLAIDSDKCIIG-OFQRWUPVSA-N 1 0 394.313 1.878 20 0 GDADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1COc2ccc(Br)cc21 ZINC000563601957 531855877 /nfs/dbraw/zinc/85/58/77/531855877.db2.gz YIEWMWCWCNYSBB-VNHYZAJKSA-N 1 0 381.270 1.905 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000418858673 531856405 /nfs/dbraw/zinc/85/64/05/531856405.db2.gz WPCLSXWCCXGDRD-QEJZJMRPSA-N 1 0 380.286 1.569 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367716249 531856710 /nfs/dbraw/zinc/85/67/10/531856710.db2.gz AOYJFCIHOYSFLO-HUUCEWRRSA-N 1 0 385.555 1.749 20 0 GDADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000418941719 531869067 /nfs/dbraw/zinc/86/90/67/531869067.db2.gz VUYRFQLAWXEICF-AWEZNQCLSA-N 1 0 382.302 1.960 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000642351358 531859000 /nfs/dbraw/zinc/85/90/00/531859000.db2.gz DIYWEOHZPSUZTI-RISCZKNCSA-N 1 0 396.285 1.586 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)cn1 ZINC000418870757 531859093 /nfs/dbraw/zinc/85/90/93/531859093.db2.gz STOPJLLDSFJFOW-COPLHBTASA-N 1 0 383.290 1.655 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])c1ccc(Br)cn1 ZINC000418872438 531859219 /nfs/dbraw/zinc/85/92/19/531859219.db2.gz VZWQDBNPJWSEMN-UHIISALHSA-N 1 0 383.290 1.607 20 0 GDADRO CC(C)C[NH+]1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1 ZINC000298172252 531860061 /nfs/dbraw/zinc/86/00/61/531860061.db2.gz RRKZLVZXACZIFX-UHFFFAOYSA-N 1 0 380.539 1.789 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418885653 531860480 /nfs/dbraw/zinc/86/04/80/531860480.db2.gz PKILTMIAXRGJIF-UFBFGSQYSA-N 1 0 386.221 1.088 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1sccc1Br)C1CC[NH+](C)CC1 ZINC000671959140 531861723 /nfs/dbraw/zinc/86/17/23/531861723.db2.gz QZQASBGLDQFQHN-SNVBAGLBSA-N 1 0 388.331 1.973 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2cc(Br)ccc2OC)CC[C@@H]1[NH3+] ZINC000642687354 531862395 /nfs/dbraw/zinc/86/23/95/531862395.db2.gz UFVKNHHYQYXCSW-FZMZJTMJSA-N 1 0 398.301 1.660 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCCSc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000418919203 531863114 /nfs/dbraw/zinc/86/31/14/531863114.db2.gz WZGVXOJWTAXYFT-KGLIPLIRSA-N 1 0 385.917 1.513 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000563810497 531863293 /nfs/dbraw/zinc/86/32/93/531863293.db2.gz MXDQZUIPVIEHAK-OCCSQVGLSA-N 1 0 379.404 1.617 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000418921465 531863505 /nfs/dbraw/zinc/86/35/05/531863505.db2.gz CVMUFIXOEYDEDV-JTQLQIEISA-N 1 0 386.265 1.790 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC[NH2+]C1CC1)c1cccc(Br)c1 ZINC000642755860 531863601 /nfs/dbraw/zinc/86/36/01/531863601.db2.gz JETVKUHWQXTHCS-UHFFFAOYSA-N 1 0 382.302 1.711 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418924304 531863655 /nfs/dbraw/zinc/86/36/55/531863655.db2.gz OZKCWPMOCJBSCZ-NSHDSACASA-N 1 0 386.265 1.363 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000283438825 531864612 /nfs/dbraw/zinc/86/46/12/531864612.db2.gz BOWPUEBUGAXDBV-WBMJQRKESA-N 1 0 394.313 1.707 20 0 GDADRO CN(C(=O)C(=O)NCCOc1cccc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000418931191 531864650 /nfs/dbraw/zinc/86/46/50/531864650.db2.gz BYFOPNSDHXPOJE-AWEZNQCLSA-N 1 0 398.301 1.545 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000672454368 531864889 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O=C(NCCNC(=O)N1CC[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000367887736 531873606 /nfs/dbraw/zinc/87/36/06/531873606.db2.gz UBDQBEAVQGAYBL-UHFFFAOYSA-N 1 0 395.301 1.669 20 0 GDADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000625009100 531873939 /nfs/dbraw/zinc/87/39/39/531873939.db2.gz HZZJFBVIDTXXJF-UHFFFAOYSA-N 1 0 395.294 1.632 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000283572396 531875428 /nfs/dbraw/zinc/87/54/28/531875428.db2.gz JSNAVUWLGPWVEJ-OAHLLOKOSA-N 1 0 388.306 1.750 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)NCCc2cccc(Br)c2)CCC[NH2+]C1 ZINC000418985037 531875879 /nfs/dbraw/zinc/87/58/79/531875879.db2.gz DXMHVYNWXCDZLR-QGZVFWFLSA-N 1 0 382.302 1.614 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Br)c(C)c2)[C@@H](C[NH3+])C1 ZINC000418991253 531876000 /nfs/dbraw/zinc/87/60/00/531876000.db2.gz MFNXTFXFOIWNJM-ZIAGYGMSSA-N 1 0 398.301 1.338 20 0 GDADRO NC(=O)[C@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000644054244 531877142 /nfs/dbraw/zinc/87/71/42/531877142.db2.gz RJUGOESHRYBFPF-GHMZBOCLSA-N 1 0 376.201 1.337 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCCC[NH+](C)C ZINC000298330204 531878138 /nfs/dbraw/zinc/87/81/38/531878138.db2.gz SHTUNFUSPBOYFU-LLVKDONJSA-N 1 0 381.420 1.440 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000419010464 531878774 /nfs/dbraw/zinc/87/87/74/531878774.db2.gz PRLFWLKYQIYTTQ-COPLHBTASA-N 1 0 398.301 1.831 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1Br ZINC000419013023 531880070 /nfs/dbraw/zinc/88/00/70/531880070.db2.gz YKQQXMPUGNQFAR-DGCLKSJQSA-N 1 0 398.301 1.893 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419016525 531880144 /nfs/dbraw/zinc/88/01/44/531880144.db2.gz DQDFSJKERKXQFM-GXFFZTMASA-N 1 0 382.258 1.196 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000419012094 531880359 /nfs/dbraw/zinc/88/03/59/531880359.db2.gz VAAOWEWSZHQZLP-GHMZBOCLSA-N 1 0 386.290 1.749 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)[NH+](C)C ZINC000298365436 531881925 /nfs/dbraw/zinc/88/19/25/531881925.db2.gz SBIIXALFBGMKPL-UWVGGRQHSA-N 1 0 382.258 1.500 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000673611109 531882161 /nfs/dbraw/zinc/88/21/61/531882161.db2.gz ATEHMJNVXSDVGK-CQSZACIVSA-N 1 0 376.320 1.810 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000673609637 531882399 /nfs/dbraw/zinc/88/23/99/531882399.db2.gz SGCSWFHJINSOCA-BXUZGUMPSA-N 1 0 396.285 1.599 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(Br)cc2)C1 ZINC000283648182 531882469 /nfs/dbraw/zinc/88/24/69/531882469.db2.gz VCPZVGDBWZXNOI-CQSZACIVSA-N 1 0 382.302 1.913 20 0 GDADRO [NH3+]CC1(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)CCCC1 ZINC000566246904 531882641 /nfs/dbraw/zinc/88/26/41/531882641.db2.gz QZTHDMLXAWXBPT-UHFFFAOYSA-N 1 0 390.303 1.115 20 0 GDADRO C[C@@H](CNS(=O)(=O)Cc1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000283659894 531883695 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CC(C)(CNC(=O)C(=O)N1CCC([NH3+])CC1)c1ccccc1Br ZINC000419194078 531912158 /nfs/dbraw/zinc/91/21/58/531912158.db2.gz VSAJSHTZBUZMOG-UHFFFAOYSA-N 1 0 382.302 1.793 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419202767 531913150 /nfs/dbraw/zinc/91/31/50/531913150.db2.gz HADCSCGJVDZFBK-GWCFXTLKSA-N 1 0 384.274 1.270 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419202770 531913232 /nfs/dbraw/zinc/91/32/32/531913232.db2.gz HADCSCGJVDZFBK-ZWNOBZJWSA-N 1 0 384.274 1.270 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419202768 531913540 /nfs/dbraw/zinc/91/35/40/531913540.db2.gz HADCSCGJVDZFBK-GXFFZTMASA-N 1 0 384.274 1.270 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccccc1Br ZINC000419206012 531913579 /nfs/dbraw/zinc/91/35/79/531913579.db2.gz MBVOGLGOEWTZQT-UKRRQHHQSA-N 1 0 382.302 1.742 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(I)cc1F ZINC000595969223 531900029 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COc1cc(OC)c(NC(=O)N(C)CCOCC[NH3+])cc1Br ZINC000625880590 531917723 /nfs/dbraw/zinc/91/77/23/531917723.db2.gz FGXGKMBULNGUIL-UHFFFAOYSA-N 1 0 376.251 1.905 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000419262920 531919099 /nfs/dbraw/zinc/91/90/99/531919099.db2.gz UKGBIDBSGMVHOM-INIZCTEOSA-N 1 0 384.274 1.141 20 0 GDADRO C[C@H](C(=O)NCc1nn(C)cc1I)[NH+]1CCCCCC1 ZINC000456511761 531919445 /nfs/dbraw/zinc/91/94/45/531919445.db2.gz TZDUEUVQSWRASM-LLVKDONJSA-N 1 0 390.269 1.905 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)C(F)(F)F ZINC000625899699 531919505 /nfs/dbraw/zinc/91/95/05/531919505.db2.gz ZZRDWXPMOLWBAO-QWHCGFSZSA-N 1 0 380.798 1.734 20 0 GDADRO CN(C)C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000625983481 531920001 /nfs/dbraw/zinc/92/00/01/531920001.db2.gz RJRXBYUSDUOAID-RHSMWYFYSA-N 1 0 376.328 1.879 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000419264500 531919984 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CC[N@@H+]1CCCN(C(=O)C(=O)NCCc2ccc(Br)s2)CC1 ZINC000284090953 531928709 /nfs/dbraw/zinc/92/87/09/531928709.db2.gz XHQCKUZVLXNCKK-UHFFFAOYSA-N 1 0 388.331 1.724 20 0 GDADRO CS(=O)(=O)c1ccc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1C(F)F ZINC000626481615 531931895 /nfs/dbraw/zinc/93/18/95/531931895.db2.gz LEBWUKPALRFEOZ-LLVKDONJSA-N 1 0 377.413 1.216 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1Br ZINC000419448677 531932885 /nfs/dbraw/zinc/93/28/85/531932885.db2.gz WPWOFAADFSLVDY-AAEUAGOBSA-N 1 0 398.301 1.578 20 0 GDADRO COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000419449490 531933109 /nfs/dbraw/zinc/93/31/09/531933109.db2.gz XYUBBSMORKRLSA-GFCCVEGCSA-N 1 0 384.274 1.190 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Br ZINC000419448097 531933637 /nfs/dbraw/zinc/93/36/37/531933637.db2.gz VQJIVFVPTLJZDA-STQMWFEESA-N 1 0 396.285 1.142 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000419475391 531934919 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CCN(CC[NH3+])C(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000626853749 531937811 /nfs/dbraw/zinc/93/78/11/531937811.db2.gz PYICRMRCAGNIKU-UHFFFAOYSA-N 1 0 394.273 1.440 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419585524 531938022 /nfs/dbraw/zinc/93/80/22/531938022.db2.gz KKCYONUPXJBQAR-ABAIWWIYSA-N 1 0 380.286 1.763 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000419589616 531938525 /nfs/dbraw/zinc/93/85/25/531938525.db2.gz QMHOOFXGHNBSCU-ABAIWWIYSA-N 1 0 380.286 1.621 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000626863231 531938698 /nfs/dbraw/zinc/93/86/98/531938698.db2.gz BTLZTIFWFQQFCP-VHSXEESVSA-N 1 0 376.201 1.923 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2scnc2C2CC2)CC[C@@H]1C(F)(F)F ZINC000626861307 531938720 /nfs/dbraw/zinc/93/87/20/531938720.db2.gz NKHAAUGZRFOBKC-ZJUUUORDSA-N 1 0 376.404 1.945 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000569795693 531927637 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C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000626910222 531942216 /nfs/dbraw/zinc/94/22/16/531942216.db2.gz GTMXGTFJKBXOPP-GXFFZTMASA-N 1 0 392.257 1.440 20 0 GDADRO C[C@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000419619001 531942731 /nfs/dbraw/zinc/94/27/31/531942731.db2.gz PETVKCLQDQMBAA-GFCCVEGCSA-N 1 0 398.301 1.543 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)Oc1cccc(Br)c1 ZINC000419619928 531942794 /nfs/dbraw/zinc/94/27/94/531942794.db2.gz QHIFTDNNYLGVRR-RYUDHWBXSA-N 1 0 384.274 1.153 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000419624437 531943523 /nfs/dbraw/zinc/94/35/23/531943523.db2.gz IKCKKCAHLKIOFI-UGFHNGPFSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)Oc1ccccc1Br ZINC000419622355 531943714 /nfs/dbraw/zinc/94/37/14/531943714.db2.gz SSUHDTSYVNYDKK-NEPJUHHUSA-N 1 0 384.274 1.140 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)Oc2cccc(Br)c2)C1 ZINC000419621603 531944098 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CCO[C@@H]1CN(S(=O)(=O)c2cc(C)c(Br)cc2F)C[C@H]1C[NH3+] ZINC000652380256 531946916 /nfs/dbraw/zinc/94/69/16/531946916.db2.gz LLCGHAURTZBVAK-ZWNOBZJWSA-N 1 0 395.294 1.881 20 0 GDADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCc1cccc(Br)c1 ZINC000419635016 531946933 /nfs/dbraw/zinc/94/69/33/531946933.db2.gz FTZRRPYVNSTCOE-AWEZNQCLSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000419628381 531946992 /nfs/dbraw/zinc/94/69/92/531946992.db2.gz ZGMJQNFWEZPKEL-NEPJUHHUSA-N 1 0 384.274 1.201 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000627302249 531950189 /nfs/dbraw/zinc/95/01/89/531950189.db2.gz DYWGLUYHCWUVSZ-SWLSCSKDSA-N 1 0 394.313 1.854 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000627393945 531950662 /nfs/dbraw/zinc/95/06/62/531950662.db2.gz QSPZUAJTDSDSTM-LEWSCRJBSA-N 1 0 398.301 1.892 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)CCOc1cccc(I)c1 ZINC000597652398 531950986 /nfs/dbraw/zinc/95/09/86/531950986.db2.gz AVLPXFWINHLPPM-LBPRGKRZSA-N 1 0 392.237 1.099 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000419604471 531939790 /nfs/dbraw/zinc/93/97/90/531939790.db2.gz CFTDTJLDCCZEBZ-YPMHNXCESA-N 1 0 384.274 1.201 20 0 GDADRO O=C(N[C@@H]1CCc2c1cccc2Br)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419592956 531940107 /nfs/dbraw/zinc/94/01/07/531940107.db2.gz WLSNZBUIZKFVAT-MQIPJXDCSA-N 1 0 392.297 1.621 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000419603962 531940259 /nfs/dbraw/zinc/94/02/59/531940259.db2.gz BSDSMBFBNWFJBW-LLVKDONJSA-N 1 0 384.274 1.201 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000626871627 531940645 /nfs/dbraw/zinc/94/06/45/531940645.db2.gz CHWXRHAOAVJPPE-UHFFFAOYSA-N 1 0 394.216 1.360 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)C1 ZINC000369357500 531960307 /nfs/dbraw/zinc/96/03/07/531960307.db2.gz GKAASRHZOUGBRE-AWEZNQCLSA-N 1 0 375.897 1.880 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000457742895 531960949 /nfs/dbraw/zinc/96/09/49/531960949.db2.gz QMDGDJMEAYFITN-HRCADAONSA-N 1 0 376.567 1.372 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000419672822 531952116 /nfs/dbraw/zinc/95/21/16/531952116.db2.gz HWSIUFISFXUZBE-LLVKDONJSA-N 1 0 396.285 1.068 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccc(Br)s1 ZINC000419673670 531952422 /nfs/dbraw/zinc/95/24/22/531952422.db2.gz COMOOGIYLRNHPB-LLVKDONJSA-N 1 0 376.320 1.959 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000419681102 531953878 /nfs/dbraw/zinc/95/38/78/531953878.db2.gz TVVVEFYQXMZYNL-GWCFXTLKSA-N 1 0 393.285 1.790 20 0 GDADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627470731 531954320 /nfs/dbraw/zinc/95/43/20/531954320.db2.gz YKYLHWRVWZMQDZ-CYBMUJFWSA-N 1 0 388.295 1.835 20 0 GDADRO CN(CCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)CC(F)(F)F ZINC000284415528 531956306 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C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271104358 531966080 /nfs/dbraw/zinc/96/60/80/531966080.db2.gz LZOYUVQXNWQTIB-AAEUAGOBSA-N 1 0 389.905 1.165 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419762310 531966784 /nfs/dbraw/zinc/96/67/84/531966784.db2.gz RKKCTYCEYJPWCL-LBPRGKRZSA-N 1 0 387.311 1.804 20 0 GDADRO O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000598141474 531969998 /nfs/dbraw/zinc/96/99/98/531969998.db2.gz JVALENKPUNYFAA-JKSUJKDBSA-N 1 0 388.306 1.839 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000419803778 531970264 /nfs/dbraw/zinc/97/02/64/531970264.db2.gz CNCYYHKVPXLJPU-CYBMUJFWSA-N 1 0 396.329 1.954 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419803791 531970401 /nfs/dbraw/zinc/97/04/01/531970401.db2.gz COVQKUHUPDDILB-DOMZBBRYSA-N 1 0 382.302 1.836 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419803798 531971222 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389.905 1.166 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419815225 531974123 /nfs/dbraw/zinc/97/41/23/531974123.db2.gz JMPKOGCLPUJUAW-KYOSRNDESA-N 1 0 382.302 1.740 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000419822055 531974486 /nfs/dbraw/zinc/97/44/86/531974486.db2.gz NRPIUVCQTFJJAV-DOMZBBRYSA-N 1 0 384.318 1.986 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419835248 531974954 /nfs/dbraw/zinc/97/49/54/531974954.db2.gz YKNAUXXELOKZEC-GFCCVEGCSA-N 1 0 384.318 1.940 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000419833513 531975422 /nfs/dbraw/zinc/97/54/22/531975422.db2.gz PQGOTARKDPKTBD-HNNXBMFYSA-N 1 0 397.317 1.707 20 0 GDADRO CN(C(=O)C(=O)NCCC[NH3+])[C@@H]1CCSc2ccc(Br)cc21 ZINC000419826581 531975491 /nfs/dbraw/zinc/97/54/91/531975491.db2.gz CSHBYANOOKYGKH-GFCCVEGCSA-N 1 0 386.315 1.909 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419836603 531976648 /nfs/dbraw/zinc/97/66/48/531976648.db2.gz ZKBYXLURGGOMRQ-WFASDCNBSA-N 1 0 398.301 1.073 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000419849118 531978017 /nfs/dbraw/zinc/97/80/17/531978017.db2.gz WYFJQJHXWQMWRJ-UHFFFAOYSA-N 1 0 397.317 1.578 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000419845870 531978541 /nfs/dbraw/zinc/97/85/41/531978541.db2.gz OTOCDLWBKHISGZ-UHFFFAOYSA-N 1 0 396.285 1.428 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419851393 531978607 /nfs/dbraw/zinc/97/86/07/531978607.db2.gz ODQOUCOTYXRIPE-NSHDSACASA-N 1 0 380.286 1.763 20 0 GDADRO COCCN(Cc1cc(Br)cs1)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419986265 531992740 /nfs/dbraw/zinc/99/27/40/531992740.db2.gz FTCLGWGSKJADMC-JTQLQIEISA-N 1 0 392.319 1.339 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000419984754 531993054 /nfs/dbraw/zinc/99/30/54/531993054.db2.gz AGZOKADZMRGFAQ-ZJUUUORDSA-N 1 0 378.420 1.721 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000419975509 531993080 /nfs/dbraw/zinc/99/30/80/531993080.db2.gz KBTUYKYTOXVNJW-HNNXBMFYSA-N 1 0 384.318 1.940 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1ccc(I)cc1 ZINC000420003663 531993869 /nfs/dbraw/zinc/99/38/69/531993869.db2.gz VGHRRAYLAAVZOQ-HNNXBMFYSA-N 1 0 390.265 1.653 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419859244 531979456 /nfs/dbraw/zinc/97/94/56/531979456.db2.gz MWFOMYYCGYCAEC-CQSZACIVSA-N 1 0 382.302 1.566 20 0 GDADRO CS(=O)(=O)C1(C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC[NH2+]CC1 ZINC000573372299 531981668 /nfs/dbraw/zinc/98/16/68/531981668.db2.gz IGATXJPSQSXXBM-UHFFFAOYSA-N 1 0 382.873 1.631 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000419888647 531982273 /nfs/dbraw/zinc/98/22/73/531982273.db2.gz RKUDDGQBECJUAR-HNNXBMFYSA-N 1 0 380.286 1.633 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)CC2 ZINC000419920338 531987082 /nfs/dbraw/zinc/98/70/82/531987082.db2.gz WSYNEIZYCNRKMS-ZDUSSCGKSA-N 1 0 394.313 1.758 20 0 GDADRO CO[C@H](CC(C)C)CS(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000657041315 531987873 /nfs/dbraw/zinc/98/78/73/531987873.db2.gz CMXLPZXOXSVVPF-GOSISDBHSA-N 1 0 376.563 1.858 20 0 GDADRO CC[N@H+](CCc1cccs1)CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000299411499 531988037 /nfs/dbraw/zinc/98/80/37/531988037.db2.gz PAKZMFMKFAJXCT-UHFFFAOYSA-N 1 0 389.587 1.789 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccsc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370517192 531990542 /nfs/dbraw/zinc/99/05/42/531990542.db2.gz HNFXJFMFBTXJFW-TZMCWYRMSA-N 1 0 384.933 1.824 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000419963772 531990926 /nfs/dbraw/zinc/99/09/26/531990926.db2.gz WIVCTGSJTGIURA-IINYFYTJSA-N 1 0 386.265 1.963 20 0 GDADRO O=C(NC[C@H]1CCS(=O)(=O)C1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000299450579 531991019 /nfs/dbraw/zinc/99/10/19/531991019.db2.gz PTQKQYHKMCLUJQ-HUUCEWRRSA-N 1 0 385.555 1.694 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000419974008 531991678 /nfs/dbraw/zinc/99/16/78/531991678.db2.gz IQPRYIUIVRAZPC-FZMZJTMJSA-N 1 0 398.301 1.703 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Cn1cnc(N)n1 ZINC000630848421 531996117 /nfs/dbraw/zinc/99/61/17/531996117.db2.gz XWOMGETZORBRKF-UHFFFAOYSA-N 1 0 381.278 1.213 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1)C1CC1 ZINC000420025627 531997628 /nfs/dbraw/zinc/99/76/28/531997628.db2.gz BIRZWCLLIYBASU-HUUCEWRRSA-N 1 0 380.286 1.966 20 0 GDADRO CC(C)OCC[NH+]1CCC(NCc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631084698 531997852 /nfs/dbraw/zinc/99/78/52/531997852.db2.gz XNJZUASRYYTSKD-UHFFFAOYSA-N 1 0 389.949 1.966 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420024493 531997988 /nfs/dbraw/zinc/99/79/88/531997988.db2.gz ALJXQDDEJIRITH-MEBBXXQBSA-N 1 0 380.286 1.576 20 0 GDADRO Cc1cc(C2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)ccc1Br ZINC000420027878 531998288 /nfs/dbraw/zinc/99/82/88/531998288.db2.gz LVHYIJIDZSLSBB-GFCCVEGCSA-N 1 0 382.302 1.927 20 0 GDADRO O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)C12CCC[NH+]1CCC2 ZINC000370600902 531995179 /nfs/dbraw/zinc/99/51/79/531995179.db2.gz CEUOQCKNYQNBIK-UHFFFAOYSA-N 1 0 383.539 1.646 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000657063571 531995453 /nfs/dbraw/zinc/99/54/53/531995453.db2.gz ZEEAOKPGGWBTON-LBPRGKRZSA-N 1 0 389.905 1.355 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000370673318 531999076 /nfs/dbraw/zinc/99/90/76/531999076.db2.gz LYYPJHPBJVTVLX-VXGBXAGGSA-N 1 0 388.331 1.745 20 0 GDADRO CO[C@@H]1CCN(C(=O)Cc2cccc(I)c2)[C@@H](C[NH3+])C1 ZINC000574911404 532002351 /nfs/dbraw/zinc/00/23/51/532002351.db2.gz RUCMUCPWTWJHQG-ZIAGYGMSSA-N 1 0 388.249 1.798 20 0 GDADRO Cc1nc(N[C@H]2CN(c3ccc(Br)cc3)C2=O)nc(N(C)C)n1 ZINC000574893286 532001138 /nfs/dbraw/zinc/00/11/38/532001138.db2.gz XFUNKKLAZFOEQD-LBPRGKRZSA-N 1 0 377.246 1.836 20 0 GDADRO Nc1nc(NCCSCCOc2cccc(Br)c2)nc(N)[nH+]1 ZINC000599043391 532004000 /nfs/dbraw/zinc/00/40/00/532004000.db2.gz KOVPZVNZKQJAEG-UHFFFAOYSA-N 1 0 385.291 1.105 20 0 GDADRO COC(=O)CCN(Cc1cccc(Br)c1)c1nc(N)[nH+]c(N)n1 ZINC000599079521 532004283 /nfs/dbraw/zinc/00/42/83/532004283.db2.gz LFVXMQSVKZDQBJ-UHFFFAOYSA-N 1 0 381.234 1.029 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000420124194 532004615 /nfs/dbraw/zinc/00/46/15/532004615.db2.gz MQEPOPDRHXDYSG-ZYHUDNBSSA-N 1 0 386.265 1.803 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000420103903 532002955 /nfs/dbraw/zinc/00/29/55/532002955.db2.gz PZONMPLTHKZGJE-IINYFYTJSA-N 1 0 386.265 1.661 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000599100529 532005377 /nfs/dbraw/zinc/00/53/77/532005377.db2.gz INRWGPOHZCWZCM-IUCAKERBSA-N 1 0 386.417 1.683 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000284916452 532005641 /nfs/dbraw/zinc/00/56/41/532005641.db2.gz BLVZXMHDLBHIKS-UHFFFAOYSA-N 1 0 380.290 1.464 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cccc(I)c2)CCOCC1 ZINC000599103373 532006018 /nfs/dbraw/zinc/00/60/18/532006018.db2.gz RUUMNZBURSDPBU-UHFFFAOYSA-N 1 0 396.250 1.077 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000420146086 532006153 /nfs/dbraw/zinc/00/61/53/532006153.db2.gz PZPFYCWISFGVQG-DOMZBBRYSA-N 1 0 398.301 1.401 20 0 GDADRO COC(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599102315 532006622 /nfs/dbraw/zinc/00/66/22/532006622.db2.gz QOTSORPGHNKJCT-CMPLNLGQSA-N 1 0 380.388 1.621 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2Cl)CC1 ZINC000284929969 532007212 /nfs/dbraw/zinc/00/72/12/532007212.db2.gz QQMMUSOHEJALIV-UHFFFAOYSA-N 1 0 388.693 1.929 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000420176443 532007362 /nfs/dbraw/zinc/00/73/62/532007362.db2.gz ZSFGVTPCOVMJTP-SMDDNHRTSA-N 1 0 398.301 1.673 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 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ZINC000460659242 532045946 /nfs/dbraw/zinc/04/59/46/532045946.db2.gz RHFPJBJFILJYPW-BFYDXBDKSA-N 1 0 375.535 1.142 20 0 GDADRO O=C(N[C@H]1CS(=O)(=O)c2ccccc21)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000577962525 532043821 /nfs/dbraw/zinc/04/38/21/532043821.db2.gz XNNULISTBUPWTO-ZBFHGGJFSA-N 1 0 380.535 1.849 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420722568 532046070 /nfs/dbraw/zinc/04/60/70/532046070.db2.gz JRWHYDPNTLMEOB-UHFFFAOYSA-N 1 0 381.420 1.343 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000578612537 532053697 /nfs/dbraw/zinc/05/36/97/532053697.db2.gz SFVNPYXBIPTWJY-RYUDHWBXSA-N 1 0 387.299 1.291 20 0 GDADRO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)CC1(O)CCOCC1 ZINC000634702425 532054631 /nfs/dbraw/zinc/05/46/31/532054631.db2.gz GTWZPONQCLXFPP-RDJZCZTQSA-N 1 0 399.329 1.910 20 0 GDADRO C[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000579121162 532056233 /nfs/dbraw/zinc/05/62/33/532056233.db2.gz JWPBUKICKONELJ-AMIZOPFISA-N 1 0 380.242 1.287 20 0 GDADRO COCC[C@@H]([NH3+])Cc1cn(Cc2ccc(I)cc2)nn1 ZINC000600969567 532056253 /nfs/dbraw/zinc/05/62/53/532056253.db2.gz IDJZQXUNBOOOTO-CYBMUJFWSA-N 1 0 386.237 1.837 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373054600 532061507 /nfs/dbraw/zinc/06/15/07/532061507.db2.gz IBCOLVYAOOYMPK-GARJFASQSA-N 1 0 386.315 1.839 20 0 GDADRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000579473824 532060765 /nfs/dbraw/zinc/06/07/65/532060765.db2.gz OTXOXZBFSOGELB-VIFPVBQESA-N 1 0 391.280 1.555 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000373057841 532062559 /nfs/dbraw/zinc/06/25/59/532062559.db2.gz POQQTGZMMVTNRS-MFKMUULPSA-N 1 0 375.288 1.830 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000579673764 532063070 /nfs/dbraw/zinc/06/30/70/532063070.db2.gz VUYZOVGOTMMKLB-UHFFFAOYSA-N 1 0 385.283 1.804 20 0 GDADRO CN(C(=O)C(=O)NCCc1cccc(Br)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000422472107 532062115 /nfs/dbraw/zinc/06/21/15/532062115.db2.gz BWLXCHFIACAIEU-INIZCTEOSA-N 1 0 394.313 1.803 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000579712333 532064784 /nfs/dbraw/zinc/06/47/84/532064784.db2.gz SLNXXYZTXBTUBH-IUCAKERBSA-N 1 0 390.303 1.738 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000579759299 532067491 /nfs/dbraw/zinc/06/74/91/532067491.db2.gz GNYGVLLOZAUBOB-UHFFFAOYSA-N 1 0 399.333 1.696 20 0 GDADRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000321616319 532067457 /nfs/dbraw/zinc/06/74/57/532067457.db2.gz UKQZZVUFNHHWQF-NSHDSACASA-N 1 0 380.242 1.842 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000271934780 532066145 /nfs/dbraw/zinc/06/61/45/532066145.db2.gz VGLRRDNTOJRCQT-UHFFFAOYSA-N 1 0 392.934 1.241 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2c[nH]c3cccc(Br)c23)C1 ZINC000579726514 532066149 /nfs/dbraw/zinc/06/61/49/532066149.db2.gz MSBOXMRLEMMCQO-NSHDSACASA-N 1 0 393.285 1.858 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC1 ZINC000271954085 532067851 /nfs/dbraw/zinc/06/78/51/532067851.db2.gz YGHFXHMMMZTPCP-UHFFFAOYSA-N 1 0 396.260 1.855 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cccc(Br)n1 ZINC000285335735 532070050 /nfs/dbraw/zinc/07/00/50/532070050.db2.gz SKIRSXXVCQPETI-LBPRGKRZSA-N 1 0 381.274 1.916 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000423093248 532070657 /nfs/dbraw/zinc/07/06/57/532070657.db2.gz GSHBFJZDBVNTMI-SWLSCSKDSA-N 1 0 386.279 1.843 20 0 GDADRO COc1cc(C)c(Br)cc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000285348168 532071193 /nfs/dbraw/zinc/07/11/93/532071193.db2.gz ZHIKUVQASRYQFT-UHFFFAOYSA-N 1 0 398.301 1.612 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C1 ZINC000423231269 532073617 /nfs/dbraw/zinc/07/36/17/532073617.db2.gz AQDCBPDPQRRJKA-AWEZNQCLSA-N 1 0 382.302 1.518 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000423108432 532072217 /nfs/dbraw/zinc/07/22/17/532072217.db2.gz MEPSLWLWBUXULJ-GJZGRUSLSA-N 1 0 380.286 1.933 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3cc(F)cc(F)c3Br)CCN2C1=O ZINC000580726575 532074863 /nfs/dbraw/zinc/07/48/63/532074863.db2.gz WRADXDJSEORUDL-PSASIEDQSA-N 1 0 389.200 1.503 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2C)C1 ZINC000423458658 532074918 /nfs/dbraw/zinc/07/49/18/532074918.db2.gz QICFNHRZCHNBLH-HNNXBMFYSA-N 1 0 382.302 1.926 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3c(Br)cnn3C)C2)CC1 ZINC000602398241 532075705 /nfs/dbraw/zinc/07/57/05/532075705.db2.gz KGWXPJIMPYGICW-ZDUSSCGKSA-N 1 0 399.337 1.104 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000423487497 532075149 /nfs/dbraw/zinc/07/51/49/532075149.db2.gz UJLFTSITUJPGHE-SNVBAGLBSA-N 1 0 380.436 1.952 20 0 GDADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cc(O)ccc1Br)CCO2 ZINC000272059600 532074543 /nfs/dbraw/zinc/07/45/43/532074543.db2.gz NGMREDJSXRTYQD-SWLSCSKDSA-N 1 0 390.299 1.981 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000581241289 532077784 /nfs/dbraw/zinc/07/77/84/532077784.db2.gz YJWXHVOGQZFVOF-JKSUJKDBSA-N 1 0 397.317 1.436 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000272096872 532078059 /nfs/dbraw/zinc/07/80/59/532078059.db2.gz MUKLQSHUJULAQR-JOYOIKCWSA-N 1 0 396.211 1.807 20 0 GDADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423641201 532078181 /nfs/dbraw/zinc/07/81/81/532078181.db2.gz HLPYCGGINJSFPO-AAEUAGOBSA-N 1 0 386.279 1.923 20 0 GDADRO C[S@@](=O)C1(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[NH2+]CC1 ZINC000602503436 532078371 /nfs/dbraw/zinc/07/83/71/532078371.db2.gz OPTAMAHRTVLQSL-UOXLDJKESA-N 1 0 387.908 1.675 20 0 GDADRO Cn1cc(C[NH+]2CCN(c3cccc(Br)c3)CC2)c(=O)n(C)c1=O ZINC000285381370 532076053 /nfs/dbraw/zinc/07/60/53/532076053.db2.gz ZVPHYPSPOILVJT-UHFFFAOYSA-N 1 0 393.285 1.169 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000423510923 532076438 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1.893 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)[C@@H]1C[NH3+] ZINC000423717643 532079364 /nfs/dbraw/zinc/07/93/64/532079364.db2.gz BFGIRAVMOONBGD-IUODEOHRSA-N 1 0 382.302 1.993 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000581429096 532081029 /nfs/dbraw/zinc/08/10/29/532081029.db2.gz VKHJFDAXYBEYOZ-KRWDZBQOSA-N 1 0 380.491 1.337 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000470023859 532082293 /nfs/dbraw/zinc/08/22/93/532082293.db2.gz GIDFHTBMFYBMRZ-CYBMUJFWSA-N 1 0 398.301 1.507 20 0 GDADRO Cc1sc(C(=O)[O-])cc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000327466166 532083903 /nfs/dbraw/zinc/08/39/03/532083903.db2.gz XWPRCFQXJKHJSK-UHFFFAOYSA-N 1 0 391.559 1.649 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000272310253 532089836 /nfs/dbraw/zinc/08/98/36/532089836.db2.gz RUWAKYWJGZXZQT-WCQYABFASA-N 1 0 389.315 1.560 20 0 GDADRO CN(C[C@H]1CCCN(CC(=O)NCc2cccc(Cl)c2)C1)S(C)(=O)=O ZINC000285548095 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GDADRO COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC[C@@H]1CCSC1 ZINC000285672742 532103707 /nfs/dbraw/zinc/10/37/07/532103707.db2.gz UHXLVSOMERDVDG-AWEZNQCLSA-N 1 0 385.555 1.796 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@H]2C1 ZINC000329951625 532111688 /nfs/dbraw/zinc/11/16/88/532111688.db2.gz MOFWFTOEDOSDMJ-QLFBSQMISA-N 1 0 383.539 1.311 20 0 GDADRO CCS(=O)(=O)Nc1ccc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000272636431 532108013 /nfs/dbraw/zinc/10/80/13/532108013.db2.gz XWPDGXWHJQUHHN-GJZGRUSLSA-N 1 0 386.543 1.958 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000272620664 532108324 /nfs/dbraw/zinc/10/83/24/532108324.db2.gz UQDXGQDBLCNXAN-NEPJUHHUSA-N 1 0 389.905 1.087 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccncc2Br)CC1 ZINC000272690772 532110230 /nfs/dbraw/zinc/11/02/30/532110230.db2.gz QIJMAJGXKVDFES-UHFFFAOYSA-N 1 0 398.305 1.862 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)c(Br)n1 ZINC000272699877 532110281 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Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374185282 532113762 /nfs/dbraw/zinc/11/37/62/532113762.db2.gz WNDPBUVNMPVXNR-INIZCTEOSA-N 1 0 386.539 1.551 20 0 GDADRO CCS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)C1 ZINC000330128368 532115067 /nfs/dbraw/zinc/11/50/67/532115067.db2.gz NNNHGROATGEMJU-XHSDSOJGSA-N 1 0 389.587 1.086 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000285818789 532115080 /nfs/dbraw/zinc/11/50/80/532115080.db2.gz BQZBTDZXNURMHE-NEPJUHHUSA-N 1 0 385.306 1.868 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000285838847 532115936 /nfs/dbraw/zinc/11/59/36/532115936.db2.gz GHVRILMNKZMSSL-UHFFFAOYSA-N 1 0 385.306 1.614 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000330493450 532125230 /nfs/dbraw/zinc/12/52/30/532125230.db2.gz MMLGVBWLOYKPBY-GJZGRUSLSA-N 1 0 375.535 1.216 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)C[C@@H]21 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381.527 1.854 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000375072660 532146159 /nfs/dbraw/zinc/14/61/59/532146159.db2.gz YRBVEYQXLRQCGB-QWRGUYRKSA-N 1 0 377.869 1.362 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000286531244 532157584 /nfs/dbraw/zinc/15/75/84/532157584.db2.gz YDFOCHWMOIRVOG-UHFFFAOYSA-N 1 0 387.933 1.977 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000331984842 532158761 /nfs/dbraw/zinc/15/87/61/532158761.db2.gz NSHDOKPSAOOYAZ-WPRPVWTQSA-N 1 0 377.260 1.331 20 0 GDADRO CN(C)S(=O)(=O)C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(F)(F)F ZINC000286572368 532160799 /nfs/dbraw/zinc/16/07/99/532160799.db2.gz VZGRERZHTOWJIF-ZDUSSCGKSA-N 1 0 381.420 1.300 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000332080864 532163254 /nfs/dbraw/zinc/16/32/54/532163254.db2.gz KPLGANINRSCRCZ-WCVJEAGWSA-N 1 0 390.571 1.560 20 0 GDADRO 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CC[N@H+](CCNC(=O)c1coc(S(=O)(=O)N(C)C)c1)CCC(F)(F)F ZINC000427210211 532177566 /nfs/dbraw/zinc/17/75/66/532177566.db2.gz BHLGDIZANKQKBC-UHFFFAOYSA-N 1 0 385.408 1.534 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)cc1 ZINC000287121882 532196337 /nfs/dbraw/zinc/19/63/37/532196337.db2.gz ALTIJSFSPNMDKL-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1C(F)(F)F ZINC000376157412 532197103 /nfs/dbraw/zinc/19/71/03/532197103.db2.gz QICVLXAOIFZWPN-JTQLQIEISA-N 1 0 380.388 1.912 20 0 GDADRO CC[NH+]1CCN(CC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000428057994 532197427 /nfs/dbraw/zinc/19/74/27/532197427.db2.gz WYCNYJZUKAQJIJ-MRXNPFEDSA-N 1 0 395.345 1.782 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)CC[C@H]1[NH3+] ZINC000332598574 532198196 /nfs/dbraw/zinc/19/81/96/532198196.db2.gz MPPFJLUNSXMMGC-IAQYHMDHSA-N 1 0 380.286 1.530 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)C[C@H](C)[NH2+]1 ZINC000332593758 532198551 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/nfs/dbraw/zinc/32/99/61/532329961.db2.gz CFACRIUJTKMHHQ-VIFPVBQESA-N 1 0 375.479 1.898 20 0 GDADRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000289809128 532332702 /nfs/dbraw/zinc/33/27/02/532332702.db2.gz ZQIJKOOBAPYISY-LSDHHAIUSA-N 1 0 382.302 1.929 20 0 GDADRO OC[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@H]1CCOC1 ZINC000289810143 532332716 /nfs/dbraw/zinc/33/27/16/532332716.db2.gz LONRDUJUONFZLP-QWHCGFSZSA-N 1 0 381.274 1.764 20 0 GDADRO Cc1nccn1-c1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000359928798 206270667 /nfs/dbraw/zinc/27/06/67/206270667.db2.gz ZWRZGOXYYAQJQL-HUUCEWRRSA-N 1 0 384.484 1.751 20 0 GDADRO CC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C ZINC000014661689 207026223 /nfs/dbraw/zinc/02/62/23/207026223.db2.gz CBCDJAGRNSHMIC-UHFFFAOYSA-N 1 0 397.541 1.556 20 0 GDADRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275616077 570697778 /nfs/dbraw/zinc/69/77/78/570697778.db2.gz RHZXGIZEEHUATD-IRXDYDNUSA-N 1 0 375.517 1.520 20 0 GDADRO O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000737790822 598826393 /nfs/dbraw/zinc/82/63/93/598826393.db2.gz HRHAFPQIPDPXOF-SFHVURJKSA-N 1 0 381.484 1.532 20 0 GDADRO CC(C)[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nc(C2CC2)no1 ZINC000735734536 598837084 /nfs/dbraw/zinc/83/70/84/598837084.db2.gz NHDGCVHHOSJQQE-GWCFXTLKSA-N 1 0 384.448 1.352 20 0 GDADRO COc1cccc2c1OCC[C@@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737143659 598837391 /nfs/dbraw/zinc/83/73/91/598837391.db2.gz SKRXWSAIYGDXEU-RISCZKNCSA-N 1 0 382.428 1.227 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000736399456 598840226 /nfs/dbraw/zinc/84/02/26/598840226.db2.gz GZLLPJPDLBCRMV-OAHLLOKOSA-N 1 0 387.492 1.237 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000737523811 598853607 /nfs/dbraw/zinc/85/36/07/598853607.db2.gz JGTQRGFYUXPFPL-KRWDZBQOSA-N 1 0 390.455 1.925 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000737524552 598853751 /nfs/dbraw/zinc/85/37/51/598853751.db2.gz MZQLCAUKIWBOSW-GUYCJALGSA-N 1 0 379.472 1.560 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1C ZINC000736399423 598854205 /nfs/dbraw/zinc/85/42/05/598854205.db2.gz GKTXUFKRYUARPW-HNNXBMFYSA-N 1 0 385.472 1.494 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@]1(C)CCOC1 ZINC000736767434 598854483 /nfs/dbraw/zinc/85/44/83/598854483.db2.gz PUPYCJNNPVHTBE-LJQANCHMSA-N 1 0 387.488 1.367 20 0 GDADRO COC(=O)[C@H]1CC12CC[NH+]([C@@H]1CCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000736910452 598873573 /nfs/dbraw/zinc/87/35/73/598873573.db2.gz VOBKYNWQWZZGDN-HZPDHXFCSA-N 1 0 396.451 1.247 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CC1(O)CCCCC1 ZINC000736766874 598894306 /nfs/dbraw/zinc/89/43/06/598894306.db2.gz HGQIBWIZQFNABA-UHFFFAOYSA-N 1 0 386.500 1.842 20 0 GDADRO CC(C)C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[NH+](C)C 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QXEJZHPSFADOPO-UHFFFAOYSA-N 1 0 381.440 1.175 20 0 GDADRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCCOc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000736614295 599051119 /nfs/dbraw/zinc/05/11/19/599051119.db2.gz UQPYJSHANOIWOW-MSOLQXFVSA-N 1 0 387.484 1.888 20 0 GDADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000736232722 599079932 /nfs/dbraw/zinc/07/99/32/599079932.db2.gz ZZYNVMSEVGUPLD-FHLIZLRMSA-N 1 0 383.500 1.777 20 0 GDADRO NC(=O)[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731401 599089432 /nfs/dbraw/zinc/08/94/32/599089432.db2.gz RNQWXGIVNROMCI-RBUKOAKNSA-N 1 0 391.479 1.820 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)N[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736761434 599093299 /nfs/dbraw/zinc/09/32/99/599093299.db2.gz FQCPMLSGAXVLKU-QZTJIDSGSA-N 1 0 379.468 1.156 20 0 GDADRO CC(C)(C)c1cn2c(n1)CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000735652807 599095383 /nfs/dbraw/zinc/09/53/83/599095383.db2.gz SDKSQMHJWHVNKH-PBHICJAKSA-N 1 0 394.483 1.492 20 0 GDADRO COc1cccc(N2CC[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737137175 599097046 /nfs/dbraw/zinc/09/70/46/599097046.db2.gz BUIOFIXHBGTIGK-CRAIPNDOSA-N 1 0 393.451 1.270 20 0 GDADRO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000823002495 599106009 /nfs/dbraw/zinc/10/60/09/599106009.db2.gz ZJWCXEIGYAKOIO-ZDUSSCGKSA-N 1 0 375.864 1.629 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736410527 599300935 /nfs/dbraw/zinc/30/09/35/599300935.db2.gz YGIRAGRLHNIDSO-ZENOOKHLSA-N 1 0 378.502 1.577 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)NCCNc1ncccc1-c1nn[nH]n1)C(C)(C)C ZINC000736758904 599184049 /nfs/dbraw/zinc/18/40/49/599184049.db2.gz KFNZKPYHDTVUFP-AWEZNQCLSA-N 1 0 389.508 1.339 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC000736758046 599189958 /nfs/dbraw/zinc/18/99/58/599189958.db2.gz BTMUCEUQNFMKRB-AWEZNQCLSA-N 1 0 391.451 1.427 20 0 GDADRO CC[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000736406831 599244179 /nfs/dbraw/zinc/24/41/79/599244179.db2.gz CXUMAEVBYZTLCS-ZDUSSCGKSA-N 1 0 377.424 1.580 20 0 GDADRO CN1CCC(CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)([NH+]2CCCCC2)CC1 ZINC000821622068 599241410 /nfs/dbraw/zinc/24/14/10/599241410.db2.gz RACCTXWZWFBBQY-UHFFFAOYSA-N 1 0 398.515 1.939 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cccc1-c1nn[nH]n1 ZINC000822046251 607277800 /nfs/dbraw/zinc/27/78/00/607277800.db2.gz ZYLUHHOBZZDNIR-OAHLLOKOSA-N 1 0 397.483 1.448 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cccc1-c1nn[nH]n1 ZINC000822045150 607274559 /nfs/dbraw/zinc/27/45/59/607274559.db2.gz PNSLXDGICYNYGW-UHFFFAOYSA-N 1 0 385.472 1.304 20 0 GDADRO CC1(C)[C@@H]2C[N@@H+](CN3CC(=O)N(Cc4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]21 ZINC000736204795 599250780 /nfs/dbraw/zinc/25/07/80/599250780.db2.gz HDTGSQWRIYBROT-GASCZTMLSA-N 1 0 381.440 1.176 20 0 GDADRO Cc1c(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cccc1-c1nn[nH]n1 ZINC000822090727 607288657 /nfs/dbraw/zinc/28/86/57/607288657.db2.gz MLVQSVDWIGXJNI-HNNXBMFYSA-N 1 0 385.472 1.940 20 0 GDADRO Cc1c(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cccc1-c1nn[nH]n1 ZINC000822088881 607289224 /nfs/dbraw/zinc/28/92/24/607289224.db2.gz AWBBSBWYBSKVHL-KRWDZBQOSA-N 1 0 386.504 1.569 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000821581635 607300380 /nfs/dbraw/zinc/30/03/80/607300380.db2.gz QZXITXYYVDRZIW-AWEZNQCLSA-N 1 0 385.472 1.528 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCc3ccc(-c4nn[nH]n4)o3)cc2)C1 ZINC000822859741 607316529 /nfs/dbraw/zinc/31/65/29/607316529.db2.gz IVVQBSRBEQFJLR-AWEZNQCLSA-N 1 0 381.440 1.769 20 0 GDADRO C[NH+](C)CCCOc1cccc(NC[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000821584580 607316877 /nfs/dbraw/zinc/31/68/77/607316877.db2.gz JSRFWACQNNJKNN-CQSZACIVSA-N 1 0 397.487 1.548 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+](CCN(C)C)CC1 ZINC000737265096 599273346 /nfs/dbraw/zinc/27/33/46/599273346.db2.gz XFWNCYBTLGNOME-UHFFFAOYSA-N 1 0 398.490 1.722 20 0 GDADRO Cc1nc(CN(C)[C@@H]2CC[N@H+](CCOc3ccccc3-c3nn[nH]n3)C2)no1 ZINC000737472198 599289859 /nfs/dbraw/zinc/28/98/59/599289859.db2.gz RIRKMIUOCPKLLU-CQSZACIVSA-N 1 0 384.444 1.143 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC000821252712 607343554 /nfs/dbraw/zinc/34/35/54/607343554.db2.gz BIHFCLLXCABJBW-WCQYABFASA-N 1 0 389.435 1.276 20 0 GDADRO CC(C)[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000735748131 598232365 /nfs/dbraw/zinc/23/23/65/598232365.db2.gz IEQYCZJNVWJXBQ-HNAYVOBHSA-N 1 0 383.456 1.712 20 0 GDADRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000735827944 598239356 /nfs/dbraw/zinc/23/93/56/598239356.db2.gz UXSVHLVMJFHZST-UHFFFAOYSA-N 1 0 397.487 1.294 20 0 GDADRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1CCCOC ZINC000736322931 598247098 /nfs/dbraw/zinc/24/70/98/598247098.db2.gz RNQKBPXKOZQOBE-GFCCVEGCSA-N 1 0 377.493 1.990 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736534181 598258442 /nfs/dbraw/zinc/25/84/42/598258442.db2.gz OABCDKYVSYIMPA-LBPRGKRZSA-N 1 0 383.460 1.095 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736239843 598266865 /nfs/dbraw/zinc/26/68/65/598266865.db2.gz YEZJXQKWQPUQPU-MCIONIFRSA-N 1 0 391.501 1.288 20 0 GDADRO C[C@@H](CNC(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[N@H+](C)C1CC1 ZINC000736017217 598270342 /nfs/dbraw/zinc/27/03/42/598270342.db2.gz KGGZFDSJUPWIOH-ZDUSSCGKSA-N 1 0 399.503 1.012 20 0 GDADRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)C1 ZINC000736200998 598285728 /nfs/dbraw/zinc/28/57/28/598285728.db2.gz GBOXVAKSYLUUKI-PBHICJAKSA-N 1 0 389.467 1.835 20 0 GDADRO CCn1cc(NC(=S)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000736722439 598295300 /nfs/dbraw/zinc/29/53/00/598295300.db2.gz MIUITRMHQNSAEP-UHFFFAOYSA-N 1 0 399.528 1.844 20 0 GDADRO CC[N@H+](CCNC(=O)NCCSCc1ccccc1-c1nn[nH]n1)C1CC1 ZINC000736536281 598301979 /nfs/dbraw/zinc/30/19/79/598301979.db2.gz HLPHWBIZUICLLN-UHFFFAOYSA-N 1 0 389.529 1.883 20 0 GDADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000738076471 598317872 /nfs/dbraw/zinc/31/78/72/598317872.db2.gz YKARHYAOLJEELF-UHFFFAOYSA-N 1 0 395.442 1.863 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3sccc3-c3nn[nH]n3)CC2)CC1 ZINC000820128996 607350170 /nfs/dbraw/zinc/35/01/70/607350170.db2.gz UTNKDOIEWMLXER-UHFFFAOYSA-N 1 0 389.529 1.559 20 0 GDADRO CCCC[N@H+](CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)C1CC1 ZINC000736456525 598334270 /nfs/dbraw/zinc/33/42/70/598334270.db2.gz JRNFJAWVHZPULE-UHFFFAOYSA-N 1 0 383.456 1.853 20 0 GDADRO CC[C@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000736402881 598334647 /nfs/dbraw/zinc/33/46/47/598334647.db2.gz PKMPKWMKCSWNNN-AWEZNQCLSA-N 1 0 383.456 1.710 20 0 GDADRO Cc1cccc(N2CC[NH+](CCCNc3nccnc3-c3nn[nH]n3)CC2)c1 ZINC000737397966 598342739 /nfs/dbraw/zinc/34/27/39/598342739.db2.gz CXYUWATUHDETSZ-UHFFFAOYSA-N 1 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CC[NH+](CC)CCC[C@@H](C)NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736530014 598404668 /nfs/dbraw/zinc/40/46/68/598404668.db2.gz FCUHVRYQNRKSBL-CQSZACIVSA-N 1 0 387.488 1.223 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000738144374 598421084 /nfs/dbraw/zinc/42/10/84/598421084.db2.gz LOWLRIPLTVCXHY-GFCCVEGCSA-N 1 0 389.847 1.155 20 0 GDADRO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737874989 598423540 /nfs/dbraw/zinc/42/35/40/598423540.db2.gz HAQCRYBAHDGJLW-CYBMUJFWSA-N 1 0 375.864 1.629 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2snc(Cl)c2-c2nn[nH]n2)CC1 ZINC000736860605 598427461 /nfs/dbraw/zinc/42/74/61/598427461.db2.gz UKEQJYKHASAGRZ-NSHDSACASA-N 1 0 382.925 1.583 20 0 GDADRO Cc1c(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c(=O)n(-c2ccccc2)n1C ZINC000737209810 598465523 /nfs/dbraw/zinc/46/55/23/598465523.db2.gz AMUGNPVIMXTCAH-UHFFFAOYSA-N 1 0 375.436 1.954 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)N2CC[C@H]([NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1C ZINC000737547206 598470637 /nfs/dbraw/zinc/47/06/37/598470637.db2.gz IIKWMYMQBINKNU-ZFWWWQNUSA-N 1 0 387.488 1.964 20 0 GDADRO CCCO[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736489687 598507075 /nfs/dbraw/zinc/50/70/75/598507075.db2.gz ZTCONPHCUNCDFX-SJORKVTESA-N 1 0 375.473 1.888 20 0 GDADRO COc1cc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)ccc1OC(C)C ZINC000737046055 598521819 /nfs/dbraw/zinc/52/18/19/598521819.db2.gz ZURGDKPYLXSGIY-AWEZNQCLSA-N 1 0 398.471 1.691 20 0 GDADRO C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)COCc1ccccc1 ZINC000736026100 598524191 /nfs/dbraw/zinc/52/41/91/598524191.db2.gz PZLGTXSLLGEAQQ-HOCLYGCPSA-N 1 0 382.472 1.547 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1ccc(OCC3CC3)nc1)C2 ZINC000738418441 598528758 /nfs/dbraw/zinc/52/87/58/598528758.db2.gz HWLPKNVPDUJWOW-CQSZACIVSA-N 1 0 381.444 1.079 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000737005902 598529840 /nfs/dbraw/zinc/52/98/40/598529840.db2.gz CRUCXWSBQONHGI-INIZCTEOSA-N 1 0 390.513 1.327 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1ccc3c(c1)OCCCO3)C2 ZINC000738420313 598529959 /nfs/dbraw/zinc/52/99/59/598529959.db2.gz DHFPKUOJGGUSAT-ZDUSSCGKSA-N 1 0 382.428 1.056 20 0 GDADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738027185 598579934 /nfs/dbraw/zinc/57/99/34/598579934.db2.gz WYSHQQZHDOOATA-SFHVURJKSA-N 1 0 381.484 1.579 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCCC1 ZINC000736008404 598594831 /nfs/dbraw/zinc/59/48/31/598594831.db2.gz LEPHITNIZITUCX-YJBOKZPZSA-N 1 0 383.500 1.684 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCCC1 ZINC000736008401 598595138 /nfs/dbraw/zinc/59/51/38/598595138.db2.gz LEPHITNIZITUCX-QAPCUYQASA-N 1 0 383.500 1.684 20 0 GDADRO COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737004458 598596803 /nfs/dbraw/zinc/59/68/03/598596803.db2.gz NEVNMUPGSAOSJM-SFHVURJKSA-N 1 0 399.499 1.016 20 0 GDADRO O=C(CC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843630 598618113 /nfs/dbraw/zinc/61/81/13/598618113.db2.gz LPVTVJICWWVQCT-JSGCOSHPSA-N 1 0 384.362 1.583 20 0 GDADRO Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737273341 598680045 /nfs/dbraw/zinc/68/00/45/598680045.db2.gz AKQYTJSASJDRSP-AWEZNQCLSA-N 1 0 391.483 1.634 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735888585 598699831 /nfs/dbraw/zinc/69/98/31/598699831.db2.gz NDHSNYYNXPFOLT-WMZOPIPTSA-N 1 0 383.500 1.825 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CCC[C@H]([NH+](C)C)C1 ZINC000735571191 598703256 /nfs/dbraw/zinc/70/32/56/598703256.db2.gz ULDHUIADSZRHKX-NEPJUHHUSA-N 1 0 389.529 1.770 20 0 GDADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)NC1CC[NH+](CCO)CC1 ZINC000738146890 598731276 /nfs/dbraw/zinc/73/12/76/598731276.db2.gz SNYAWRRNFMWPEB-UHFFFAOYSA-N 1 0 397.386 1.046 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736009770 598731977 /nfs/dbraw/zinc/73/19/77/598731977.db2.gz JMCDZAYNVPTRKF-CQSZACIVSA-N 1 0 393.451 1.442 20 0 GDADRO NC(=O)C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCCC1 ZINC000737749000 598759498 /nfs/dbraw/zinc/75/94/98/598759498.db2.gz USDCPQISHDHDQM-UHFFFAOYSA-N 1 0 391.863 1.579 20 0 GDADRO Cn1nccc1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737628083 598759627 /nfs/dbraw/zinc/75/96/27/598759627.db2.gz NDTFYVJNHIZILO-MAUKXSAKSA-N 1 0 392.467 1.585 20 0 GDADRO CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736870452 598760729 /nfs/dbraw/zinc/76/07/29/598760729.db2.gz HZTGSIIZGQBQOI-ZDUSSCGKSA-N 1 0 377.836 1.059 20 0 GDADRO Cc1nnc(NCCc2ccc(OCC[NH+](C)C)cc2)c(-c2nn[nH]n2)c1C ZINC000737523487 598798127 /nfs/dbraw/zinc/79/81/27/598798127.db2.gz YVGVSXSDYFYKQZ-UHFFFAOYSA-N 1 0 382.472 1.869 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000737486242 598812495 /nfs/dbraw/zinc/81/24/95/598812495.db2.gz CFGUMLUYQXFJNC-INIZCTEOSA-N 1 0 399.503 1.161 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C1 ZINC000736847157 598814502 /nfs/dbraw/zinc/81/45/02/598814502.db2.gz FKVBKMDWXQWYCF-CYBMUJFWSA-N 1 0 382.424 1.720 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736322731 598819801 /nfs/dbraw/zinc/81/98/01/598819801.db2.gz OHUZAIBHNJIUNX-GFCCVEGCSA-N 1 0 383.460 1.095 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1COc2ccccc21 ZINC000736766527 598822801 /nfs/dbraw/zinc/82/28/01/598822801.db2.gz AFFUJBPWOJTUDN-SFHVURJKSA-N 1 0 392.463 1.933 20 0 GDADRO C[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@@H]1COc2ccccc2O1 ZINC000821597903 599301791 /nfs/dbraw/zinc/30/17/91/599301791.db2.gz KYADZQAZZZHWHD-MRXNPFEDSA-N 1 0 394.435 1.967 20 0 GDADRO COC(=O)C[C@H]1CCC[N@@H+]1Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000821659298 607368504 /nfs/dbraw/zinc/36/85/04/607368504.db2.gz YOULGCXJCGYIAJ-OAHLLOKOSA-N 1 0 382.428 1.419 20 0 GDADRO CCN(C1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1)S(C)(=O)=O ZINC000736512585 599320210 /nfs/dbraw/zinc/32/02/10/599320210.db2.gz RGMOYGOWQNHZKZ-ZDUSSCGKSA-N 1 0 378.502 1.674 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1ccccc1OC1CCC1)C2 ZINC000738435303 599333789 /nfs/dbraw/zinc/33/37/89/599333789.db2.gz KWAPPEDRGBVLST-CYBMUJFWSA-N 1 0 380.456 1.826 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821002754 599369715 /nfs/dbraw/zinc/36/97/15/599369715.db2.gz YUWGLWURVPFKTF-NWDGAFQWSA-N 1 0 396.904 1.767 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)C1 ZINC000821087923 599374140 /nfs/dbraw/zinc/37/41/40/599374140.db2.gz HXPHAQULZOYNFE-AWEZNQCLSA-N 1 0 378.502 1.528 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000737795584 599381616 /nfs/dbraw/zinc/38/16/16/599381616.db2.gz ATKPWPJXDAEZHU-WAYWQWQTSA-N 1 0 382.468 1.451 20 0 GDADRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000821824542 599417819 /nfs/dbraw/zinc/41/78/19/599417819.db2.gz MMDHNSNNSBLYJU-INIZCTEOSA-N 1 0 399.451 1.551 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3cccc(-c4nn[nH]n4)n3)c2)C1 ZINC000737744702 599435159 /nfs/dbraw/zinc/43/51/59/599435159.db2.gz NAJWPCNDWAWBSN-MRXNPFEDSA-N 1 0 392.467 1.571 20 0 GDADRO O=C(CCN1CC[NH+](CC2CCOCC2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737843114 599448174 /nfs/dbraw/zinc/44/81/74/599448174.db2.gz GVVVXSHNHWUBOO-UHFFFAOYSA-N 1 0 399.499 1.240 20 0 GDADRO c1nc(N2CCOCC2)sc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000823742813 599452787 /nfs/dbraw/zinc/45/27/87/599452787.db2.gz LOVMSNDHWPFOQO-UHFFFAOYSA-N 1 0 387.469 1.328 20 0 GDADRO C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820404491 599512400 /nfs/dbraw/zinc/51/24/00/599512400.db2.gz WMVNDCHXBDZALP-AWEZNQCLSA-N 1 0 392.467 1.505 20 0 GDADRO C[NH+](C)CCOc1ccccc1N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000736772010 599536254 /nfs/dbraw/zinc/53/62/54/599536254.db2.gz 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/nfs/dbraw/zinc/39/72/79/606397279.db2.gz DZMURUTWEAHDMZ-CYBMUJFWSA-N 1 0 387.419 1.031 20 0 GDADRO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000823715943 606422976 /nfs/dbraw/zinc/42/29/76/606422976.db2.gz ZPKZSAQDXXCRPM-WBVHZDCISA-N 1 0 384.509 1.901 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](C)C1 ZINC000820768316 606423617 /nfs/dbraw/zinc/42/36/17/606423617.db2.gz MMGQURFBSQHHNO-YPMHNXCESA-N 1 0 384.531 1.466 20 0 GDADRO Cn1c(Sc2ccc(Cl)c(-c3nn[nH]n3)n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000822604894 606466985 /nfs/dbraw/zinc/46/69/85/606466985.db2.gz OVVZRXXASUVSTF-MRVPVSSYSA-N 1 0 377.865 1.662 20 0 GDADRO CC(C)(CO)[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000819988099 606491871 /nfs/dbraw/zinc/49/18/71/606491871.db2.gz SRSYTGKYYYQXNS-UHFFFAOYSA-N 1 0 382.415 1.357 20 0 GDADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000822732601 606502733 /nfs/dbraw/zinc/50/27/33/606502733.db2.gz LSQMVCVVZKKYEQ-CQSZACIVSA-N 1 0 380.399 1.375 20 0 GDADRO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1N1CCOCC1 ZINC000820759969 606523489 /nfs/dbraw/zinc/52/34/89/606523489.db2.gz ORXJXMWVKGMXHG-WFASDCNBSA-N 1 0 394.426 1.621 20 0 GDADRO CN1CCC([NH+]2CCC(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000821622104 606541490 /nfs/dbraw/zinc/54/14/90/606541490.db2.gz RYIHMLCBDNUMLL-UHFFFAOYSA-N 1 0 383.500 1.084 20 0 GDADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820649918 606636321 /nfs/dbraw/zinc/63/63/21/606636321.db2.gz PDENHSWDPQIXEA-KFWWJZLASA-N 1 0 392.529 1.653 20 0 GDADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823170869 606681140 /nfs/dbraw/zinc/68/11/40/606681140.db2.gz KGYLCRPGDJFYQF-UHFFFAOYSA-N 1 0 392.410 1.520 20 0 GDADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c1 ZINC000822231783 606703033 /nfs/dbraw/zinc/70/30/33/606703033.db2.gz HMBKGZHKPIHMJQ-CYBMUJFWSA-N 1 0 397.487 1.680 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000819867610 606719538 /nfs/dbraw/zinc/71/95/38/606719538.db2.gz UUNWNTAOKHRXIB-ZDUSSCGKSA-N 1 0 386.456 1.669 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000820875861 606738952 /nfs/dbraw/zinc/73/89/52/606738952.db2.gz HPNBBZBREAKMSH-JTQLQIEISA-N 1 0 379.852 1.305 20 0 GDADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1Cl)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000823289125 606740138 /nfs/dbraw/zinc/74/01/38/606740138.db2.gz BWPSWEFTWZWZNB-LBPRGKRZSA-N 1 0 389.847 1.059 20 0 GDADRO COC(=O)CC1([NH2+]CCCOc2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC000821658623 606761403 /nfs/dbraw/zinc/76/14/03/606761403.db2.gz CTOJKISWWDHZDI-UHFFFAOYSA-N 1 0 375.429 1.338 20 0 GDADRO O=C(C1CC1)N1CCC([NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000822912025 606771265 /nfs/dbraw/zinc/77/12/65/606771265.db2.gz JFVSXFYDVXHQOD-UHFFFAOYSA-N 1 0 395.511 1.826 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1N(C)C ZINC000820803713 606785354 /nfs/dbraw/zinc/78/53/54/606785354.db2.gz GFZQKNDZCNPPKW-CQSZACIVSA-N 1 0 379.472 1.433 20 0 GDADRO CS(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821927416 606855752 /nfs/dbraw/zinc/85/57/52/606855752.db2.gz VVYMOMIMZKFPHR-KRWDZBQOSA-N 1 0 387.465 1.235 20 0 GDADRO COc1ccc(C[N@H+](CCO)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000821794837 606898120 /nfs/dbraw/zinc/89/81/20/606898120.db2.gz NRRPMLMRHFAIOU-GOSISDBHSA-N 1 0 399.451 1.412 20 0 GDADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000820033060 606903939 /nfs/dbraw/zinc/90/39/39/606903939.db2.gz SBYBOXXQAVSQPZ-XCRHUMRWSA-N 1 0 384.484 1.869 20 0 GDADRO COC(=O)CC[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C1CCOCC1 ZINC000821661302 606905610 /nfs/dbraw/zinc/90/56/10/606905610.db2.gz BSCMNUPCXRWVBI-UHFFFAOYSA-N 1 0 389.456 1.680 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820659643 606907549 /nfs/dbraw/zinc/90/75/49/606907549.db2.gz ZGEKEGOPGZKQQC-GXTWGEPZSA-N 1 0 381.444 1.385 20 0 GDADRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000821362288 606918088 /nfs/dbraw/zinc/91/80/88/606918088.db2.gz ZINRRGANGRVOMA-KBAYOESNSA-N 1 0 387.484 1.886 20 0 GDADRO CCc1nnc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(-c2nn[nH]n2)c1CC ZINC000821536336 606919088 /nfs/dbraw/zinc/91/90/88/606919088.db2.gz TYJRMOMZWDTIFC-MRXNPFEDSA-N 1 0 387.536 1.465 20 0 GDADRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820269541 606926736 /nfs/dbraw/zinc/92/67/36/606926736.db2.gz NAQCISFVYGRQEP-DOMZBBRYSA-N 1 0 376.461 1.745 20 0 GDADRO O=C(CC[N@@H+]1CC[C@H](Oc2ccccn2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822964200 606933916 /nfs/dbraw/zinc/93/39/16/606933916.db2.gz FYFRJDKRWBNIJV-INIZCTEOSA-N 1 0 379.424 1.744 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000822145803 607005379 /nfs/dbraw/zinc/00/53/79/607005379.db2.gz UXDCXAXYOIZXPZ-HUUCEWRRSA-N 1 0 376.486 1.280 20 0 GDADRO CC[C@H](C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1)[NH+](C)C ZINC000820843342 607017218 /nfs/dbraw/zinc/01/72/18/607017218.db2.gz WRHDHNKKANPJJU-MRXNPFEDSA-N 1 0 385.472 1.384 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821690899 607022874 /nfs/dbraw/zinc/02/28/74/607022874.db2.gz AQDSMWQOVXYKEA-OAHLLOKOSA-N 1 0 388.472 1.251 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000820683724 607060061 /nfs/dbraw/zinc/06/00/61/607060061.db2.gz GKFFCTUBNNLDPG-HZPDHXFCSA-N 1 0 387.507 1.996 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)CC[C@H]21 ZINC000821625529 607072623 /nfs/dbraw/zinc/07/26/23/607072623.db2.gz QCXQAKVVJNXWHK-JKSUJKDBSA-N 1 0 380.456 1.833 20 0 GDADRO C[C@H](NC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl)C(C)(C)C[NH+](C)C ZINC000820313337 607095209 /nfs/dbraw/zinc/09/52/09/607095209.db2.gz CXMXXMINXMDDCG-JTQLQIEISA-N 1 0 393.879 1.551 20 0 GDADRO Cn1nnc2cc(C[NH+]3CCN(c4cccc(F)c4-c4nn[nH]n4)CC3)ccc21 ZINC000822714741 607098846 /nfs/dbraw/zinc/09/88/46/607098846.db2.gz RYSLJSIZNYXYJC-UHFFFAOYSA-N 1 0 393.430 1.610 20 0 GDADRO O[C@H]1CCC[C@H]1[NH+]1CCC(NC(=S)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000823697825 607122003 /nfs/dbraw/zinc/12/20/03/607122003.db2.gz NCJICKODGJUCHN-CVEARBPZSA-N 1 0 387.513 1.531 20 0 GDADRO CC1(O)CC[NH+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)CC1 ZINC000820628572 607123998 /nfs/dbraw/zinc/12/39/98/607123998.db2.gz HPGAKZWMGJTLEB-UHFFFAOYSA-N 1 0 390.513 1.982 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000822224155 607128040 /nfs/dbraw/zinc/12/80/40/607128040.db2.gz XXORZEWEJKHNPU-UMVBOHGHSA-N 1 0 392.529 1.820 20 0 GDADRO O=C(CC[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1sccc1-c1nn[nH]n1 ZINC000822969730 607148966 /nfs/dbraw/zinc/14/89/66/607148966.db2.gz YZANVWWLSLNDJJ-NEPJUHHUSA-N 1 0 380.499 1.463 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000821702192 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GDADRO COCc1cccc(CNC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826164949 608487497 /nfs/dbraw/zinc/48/74/97/608487497.db2.gz YIQIQGVUTMZQKO-CQSZACIVSA-N 1 0 380.452 1.980 20 0 GDADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCCCC1 ZINC000824478177 608490382 /nfs/dbraw/zinc/49/03/82/608490382.db2.gz FQTCFJDLODXYKM-KBPBESRZSA-N 1 0 385.472 1.035 20 0 GDADRO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825499526 608492788 /nfs/dbraw/zinc/49/27/88/608492788.db2.gz OAJFFBHWQDFPSE-BBRMVZONSA-N 1 0 386.456 1.462 20 0 GDADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC000824761587 608503691 /nfs/dbraw/zinc/50/36/91/608503691.db2.gz BSOMZPKPWXGWFT-SNVBAGLBSA-N 1 0 378.483 1.769 20 0 GDADRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)n(C)n1 ZINC000826269787 608523105 /nfs/dbraw/zinc/52/31/05/608523105.db2.gz XJOBYPRDVLGNNZ-SJORKVTESA-N 1 0 392.467 1.681 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826223136 608524937 /nfs/dbraw/zinc/52/49/37/608524937.db2.gz CETVUEPQOFAAMT-MLGOLLRUSA-N 1 0 376.486 1.115 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000826034460 608565557 /nfs/dbraw/zinc/56/55/57/608565557.db2.gz RIBUSIMSGPGLKK-JTQLQIEISA-N 1 0 390.391 1.258 20 0 GDADRO COCCn1cc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)cn1 ZINC000826164035 608569851 /nfs/dbraw/zinc/56/98/51/608569851.db2.gz WJLIONIYZBWFSF-UHFFFAOYSA-N 1 0 398.471 1.584 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824449234 608579295 /nfs/dbraw/zinc/57/92/95/608579295.db2.gz MSMUYHIBZKJBMU-CQSZACIVSA-N 1 0 387.465 1.698 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C[C@H]1O ZINC000824984388 608586838 /nfs/dbraw/zinc/58/68/38/608586838.db2.gz JICCMRTYVBUESH-ZYHUDNBSSA-N 1 0 376.486 1.448 20 0 GDADRO CCN1CCN(C2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)C1=O ZINC000825458792 608686638 /nfs/dbraw/zinc/68/66/38/608686638.db2.gz GEXGGZYVSPWQHL-UHFFFAOYSA-N 1 0 395.471 1.236 20 0 GDADRO C[NH+](C)CCOc1ccccc1N1CCN(Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000825870675 608702636 /nfs/dbraw/zinc/70/26/36/608702636.db2.gz XXBKSYSDQUNVEG-UHFFFAOYSA-N 1 0 397.483 1.722 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824893842 608846408 /nfs/dbraw/zinc/84/64/08/608846408.db2.gz VMNWHCXRYUTYMF-PBHICJAKSA-N 1 0 387.488 1.507 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825459416 609140428 /nfs/dbraw/zinc/14/04/28/609140428.db2.gz KJZDXNWRQDSVDR-INIZCTEOSA-N 1 0 380.456 1.575 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259131 609148008 /nfs/dbraw/zinc/14/80/08/609148008.db2.gz IUDGWLIIVDBMHQ-CQSZACIVSA-N 1 0 392.467 1.575 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825120848 609156290 /nfs/dbraw/zinc/15/62/90/609156290.db2.gz OGQLAMAMNFIQMD-MRXNPFEDSA-N 1 0 394.483 1.965 20 0 GDADRO CCn1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000825799865 609168001 /nfs/dbraw/zinc/16/80/01/609168001.db2.gz UUXPRPUYNIOYGQ-CXAGYDPISA-N 1 0 380.456 1.929 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)nc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826472750 609171229 /nfs/dbraw/zinc/17/12/29/609171229.db2.gz WKGVRSJEGFGZDF-UHFFFAOYSA-N 1 0 385.472 1.226 20 0 GDADRO Cc1nnc2n1C[C@@H]([NH2+]C1CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826337616 609185719 /nfs/dbraw/zinc/18/57/19/609185719.db2.gz USXDLCQTZNJQEM-SFHVURJKSA-N 1 0 393.499 1.336 20 0 GDADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826433710 609188381 /nfs/dbraw/zinc/18/83/81/609188381.db2.gz OPEURMKAZVBACY-RBUKOAKNSA-N 1 0 392.463 1.853 20 0 GDADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826436800 609196877 /nfs/dbraw/zinc/19/68/77/609196877.db2.gz JOFNXJIAMHXEMO-IBGZPJMESA-N 1 0 392.463 1.465 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824875210 609198790 /nfs/dbraw/zinc/19/87/90/609198790.db2.gz JRCKSCIXYVLGIL-IIDMSEBBSA-N 1 0 386.500 1.774 20 0 GDADRO COc1cc(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)ccc1OCC[NH+](C)C ZINC000826179251 609205878 /nfs/dbraw/zinc/20/58/78/609205878.db2.gz GQFQJUQBLMNPGF-UHFFFAOYSA-N 1 0 385.428 1.074 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000825848248 609207214 /nfs/dbraw/zinc/20/72/14/609207214.db2.gz AUZVHVNMDGTPFT-IAGOWNOFSA-N 1 0 384.415 1.458 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824874887 609210199 /nfs/dbraw/zinc/21/01/99/609210199.db2.gz HHLCNBNZILSUBP-CPUCHLNUSA-N 1 0 386.500 1.773 20 0 GDADRO Cc1cc(C(=O)N(C)CCCC[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257186 609233793 /nfs/dbraw/zinc/23/37/93/609233793.db2.gz RJTBPFCLLKJUJL-UHFFFAOYSA-N 1 0 382.472 1.775 20 0 GDADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C(=O)N1c1cnn(C)c1 ZINC000824893422 609240265 /nfs/dbraw/zinc/24/02/65/609240265.db2.gz QRKWOJVVVSCZNB-PJSAGSTRSA-N 1 0 392.467 1.761 20 0 GDADRO NS(=O)(=O)c1ccc(CC(=O)NC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000530612775 649980060 /nfs/dbraw/zinc/98/00/60/649980060.db2.gz PEWBMZUPEOGFBN-UHFFFAOYSA-N 1 0 385.555 1.851 20 0 GDADRO C[N@@H+]1CC[C@H](NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826029742 609256036 /nfs/dbraw/zinc/25/60/36/609256036.db2.gz VSANIFPMFKJIFR-OKZBNKHCSA-N 1 0 378.436 1.462 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000826175432 609297487 /nfs/dbraw/zinc/29/74/87/609297487.db2.gz DYLCYCCHRTYNPB-UHFFFAOYSA-N 1 0 399.455 1.999 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C=Cc1ccncn1 ZINC000825866047 609298454 /nfs/dbraw/zinc/29/84/54/609298454.db2.gz PZGDWIAFYGIAOJ-BQYQJAHWSA-N 1 0 378.440 1.260 20 0 GDADRO COc1cccc([C@H]2[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000826215787 609337337 /nfs/dbraw/zinc/33/73/37/609337337.db2.gz YVQBNKYPLRTXFM-AEFFLSMTSA-N 1 0 393.451 1.911 20 0 GDADRO Cn1cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361474 609338949 /nfs/dbraw/zinc/33/89/49/609338949.db2.gz YEGSBIYTZSXSKM-MSOLQXFVSA-N 1 0 394.483 1.220 20 0 GDADRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826160608 609347774 /nfs/dbraw/zinc/34/77/74/609347774.db2.gz YYTHFXMEETXATK-WBMJQRKESA-N 1 0 378.452 1.834 20 0 GDADRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000826158815 609360061 /nfs/dbraw/zinc/36/00/61/609360061.db2.gz DNLHQLTWDPSQLT-INIZCTEOSA-N 1 0 387.440 1.551 20 0 GDADRO NC(=O)c1cccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826393269 609413455 /nfs/dbraw/zinc/41/34/55/609413455.db2.gz KOVDKDFGOBTUAR-QGZVFWFLSA-N 1 0 391.435 1.251 20 0 GDADRO Cn1cc(CCC[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000826360533 609414963 /nfs/dbraw/zinc/41/49/63/609414963.db2.gz OFCPJSYWNJCAKU-QGZVFWFLSA-N 1 0 380.456 1.318 20 0 GDADRO O=C1[C@H]([NH2+][C@@H](CO)c2ccccc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476330 609423977 /nfs/dbraw/zinc/42/39/77/609423977.db2.gz FUYJYTPMVDBQPO-MSOLQXFVSA-N 1 0 378.436 1.685 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c1-c1nn[nH]n1 ZINC000826077866 609435157 /nfs/dbraw/zinc/43/51/57/609435157.db2.gz YDCCCKWJGKHYAF-GXTWGEPZSA-N 1 0 390.492 1.522 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1sccc1-c1nn[nH]n1 ZINC000826443521 609440422 /nfs/dbraw/zinc/44/04/22/609440422.db2.gz SVPYOEBYHAHDAY-OAHLLOKOSA-N 1 0 398.492 1.815 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000826443366 609440634 /nfs/dbraw/zinc/44/06/34/609440634.db2.gz MBBBCHXEUHPKRY-IBGZPJMESA-N 1 0 392.463 1.753 20 0 GDADRO O[C@H](CNc1nc2ccccn2c1-c1nn[nH]n1)C[N@@H+]1CCc2ccccc2C1 ZINC000826504031 609460449 /nfs/dbraw/zinc/46/04/49/609460449.db2.gz LSNPAPWFAISHNW-MRXNPFEDSA-N 1 0 390.451 1.346 20 0 GDADRO Cc1onc(CC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[nH]n1 ZINC000826344141 609468855 /nfs/dbraw/zinc/46/88/55/609468855.db2.gz YFINYCXASAMPRJ-UONOGXRCSA-N 1 0 395.467 1.827 20 0 GDADRO C[N@H+](CCc1ccncc1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825946369 609489380 /nfs/dbraw/zinc/48/93/80/609489380.db2.gz VLMBLWWYFBIVSB-GOSISDBHSA-N 1 0 377.452 1.932 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000826357574 609497563 /nfs/dbraw/zinc/49/75/63/609497563.db2.gz KEDUVXWPLAMUHF-RYQLBKOJSA-N 1 0 391.479 1.846 20 0 GDADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826488735 609539523 /nfs/dbraw/zinc/53/95/23/609539523.db2.gz XWXCDPMHBHGDPV-OLZOCXBDSA-N 1 0 382.877 1.425 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000825856620 609554074 /nfs/dbraw/zinc/55/40/74/609554074.db2.gz YTUFRECALXSKCB-VXGBXAGGSA-N 1 0 384.893 1.671 20 0 GDADRO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000531958942 650002366 /nfs/dbraw/zinc/00/23/66/650002366.db2.gz BGAUEIPIRIAJSN-KYOSRNDESA-N 1 0 390.265 1.571 20 0 GDADRO NS(=O)(=O)c1cc(Br)cnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000533151281 650044005 /nfs/dbraw/zinc/04/40/05/650044005.db2.gz FSLMACXAXPJKQY-LLVKDONJSA-N 1 0 375.292 1.166 20 0 GDADRO C[C@@H]1CCC[C@H](NC(=S)NNC(=S)NCCCN2CCOCC2)[C@H]1C ZINC000916126595 660186511 /nfs/dbraw/zinc/18/65/11/660186511.db2.gz HSHKBIGQJKKKOU-ILXRZTDVSA-N 1 0 387.619 1.377 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cnc2c1Cl ZINC000535042611 650239080 /nfs/dbraw/zinc/23/90/80/650239080.db2.gz KSLDLBOWOCCNEL-ZDUSSCGKSA-N 1 0 383.905 1.798 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000535283913 650246079 /nfs/dbraw/zinc/24/60/79/650246079.db2.gz NJGGRYCODLWBSU-ZDUSSCGKSA-N 1 0 395.301 1.973 20 0 GDADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000538523899 650313522 /nfs/dbraw/zinc/31/35/22/650313522.db2.gz RVSGYKCFURQRIN-RWMBFGLXSA-N 1 0 388.917 1.939 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000540146377 650350371 /nfs/dbraw/zinc/35/03/71/650350371.db2.gz GIDOBRIJKVQLRA-MFKMUULPSA-N 1 0 380.279 1.922 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000541237268 650380224 /nfs/dbraw/zinc/38/02/24/650380224.db2.gz CRCSGZIQRJTGKN-ZDUSSCGKSA-N 1 0 398.301 1.814 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000541729607 650389262 /nfs/dbraw/zinc/38/92/62/650389262.db2.gz NAXVPWZLYGMCJG-UHFFFAOYSA-N 1 0 386.290 1.862 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)C1 ZINC000542142797 650399655 /nfs/dbraw/zinc/39/96/55/650399655.db2.gz YTJRPOXSOSRMAZ-ZDUSSCGKSA-N 1 0 385.917 1.791 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1ccccc1Br ZINC000542659427 650409026 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C[N@@H+]1CC[C@@](O)(CNc2ncnc3ccc(I)cc32)C1 ZINC000546582041 650479800 /nfs/dbraw/zinc/47/98/00/650479800.db2.gz SIWBILAHOPZGKF-CQSZACIVSA-N 1 0 384.221 1.713 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000546721599 650483990 /nfs/dbraw/zinc/48/39/90/650483990.db2.gz NHKNOYACZZGJEV-HNNXBMFYSA-N 1 0 387.933 1.950 20 0 GDADRO C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC1(O)CCC1 ZINC000546799964 650486437 /nfs/dbraw/zinc/48/64/37/650486437.db2.gz ZBVAIQBYGWOKSQ-UHFFFAOYSA-N 1 0 384.274 1.351 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[N@H+](CCO)Cc2cccc(Br)c2)C1 ZINC000549164131 650571181 /nfs/dbraw/zinc/57/11/81/650571181.db2.gz ATUDPTFZODZVSZ-AWEZNQCLSA-N 1 0 391.331 1.525 20 0 GDADRO C[C@@H](COC1CCCC1)CS(=O)(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000549372350 650575312 /nfs/dbraw/zinc/57/53/12/650575312.db2.gz GCBCANSPLDLVCK-DLBZAZTESA-N 1 0 376.563 1.594 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccc(Br)c3)[C@H]2C1 ZINC000549480500 650577932 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644960127 /nfs/dbraw/zinc/96/01/27/644960127.db2.gz SMIOBUKWGFQGRB-HNNXBMFYSA-N 1 0 376.906 1.932 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cnc1Br ZINC000182824031 644965086 /nfs/dbraw/zinc/96/50/86/644965086.db2.gz HQMCRKLNCWTMSQ-PWSUYJOCSA-N 1 0 381.274 1.832 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000185286582 644984311 /nfs/dbraw/zinc/98/43/11/644984311.db2.gz YXIRRYBMTIISKS-UHFFFAOYSA-N 1 0 375.878 1.847 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)NNC(=O)c2cccc(Br)c2)n1 ZINC000186127901 644991191 /nfs/dbraw/zinc/99/11/91/644991191.db2.gz WZVPQGFAHGGYJU-UHFFFAOYSA-N 1 0 395.261 1.674 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000193416903 645050955 /nfs/dbraw/zinc/05/09/55/645050955.db2.gz ASACRYLUZILPQW-SKDRFNHKSA-N 1 0 391.287 1.512 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000193459216 645052461 /nfs/dbraw/zinc/05/24/61/645052461.db2.gz BICYLOFYRALYBW-KWQFWETISA-N 1 0 378.248 1.776 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568865449 650974359 /nfs/dbraw/zinc/97/43/59/650974359.db2.gz LNFFEOWTMIGAJD-BXUZGUMPSA-N 1 0 394.946 1.680 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCCSC(F)(F)F)CC1 ZINC000194622489 645062745 /nfs/dbraw/zinc/06/27/45/645062745.db2.gz OTVGJHNCMXXACP-UHFFFAOYSA-N 1 0 377.436 1.886 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000568983296 650979348 /nfs/dbraw/zinc/97/93/48/650979348.db2.gz GOJLDHVRHFRTPY-YPMHNXCESA-N 1 0 392.930 1.115 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000261645005 645115055 /nfs/dbraw/zinc/11/50/55/645115055.db2.gz DTCFYPMQVLFUAE-ZDUSSCGKSA-N 1 0 385.839 1.763 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000261822103 645117568 /nfs/dbraw/zinc/11/75/68/645117568.db2.gz UMPVAVCJFQBSMG-DOMZBBRYSA-N 1 0 397.317 1.847 20 0 GDADRO COc1cc(I)c(Cl)cc1C(=O)NCC1C[NH2+]C1 ZINC000261927768 645119345 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O[C@H](C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1)COc1cccc(Br)c1 ZINC000320872550 645253952 /nfs/dbraw/zinc/25/39/52/645253952.db2.gz ZMEFHXRMWBBVLL-INMHGKMJSA-N 1 0 385.302 1.642 20 0 GDADRO C[NH+]1CCN(CCNc2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000322521909 645256678 /nfs/dbraw/zinc/25/66/78/645256678.db2.gz TYHZPEDTEATQLY-UHFFFAOYSA-N 1 0 398.227 1.227 20 0 GDADRO C[C@]1(C(=O)NCc2ccc(Br)cc2N2CCOCC2)CC[NH2+]C1 ZINC000569344499 650995578 /nfs/dbraw/zinc/99/55/78/650995578.db2.gz OBOAWRFOJBGPDO-KRWDZBQOSA-N 1 0 382.302 1.902 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c(OC)cc1Br ZINC000569350847 650995946 /nfs/dbraw/zinc/99/59/46/650995946.db2.gz UQAFQXVGYVBAQL-ZJUUUORDSA-N 1 0 393.303 1.967 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000569352512 650996274 /nfs/dbraw/zinc/99/62/74/650996274.db2.gz RSLPLSMCSUCMOM-OLZOCXBDSA-N 1 0 397.324 1.747 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccc(Br)cn1 ZINC000569381309 650997044 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C[NH+](C)C[C@H]1CCCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000331808520 645535571 /nfs/dbraw/zinc/53/55/71/645535571.db2.gz WXTCYPQWRIWVFU-GFCCVEGCSA-N 1 0 394.269 1.598 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)s1 ZINC000333855840 645542796 /nfs/dbraw/zinc/54/27/96/645542796.db2.gz QXGOLCSXQJJQJL-YOEHRIQHSA-N 1 0 383.539 1.564 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Br)n1C ZINC000367864885 645607771 /nfs/dbraw/zinc/60/77/71/645607771.db2.gz MCFRCGQSGVXBMA-NEPJUHHUSA-N 1 0 391.335 1.596 20 0 GDADRO CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000368568696 645619743 /nfs/dbraw/zinc/61/97/43/645619743.db2.gz HBFSOVRNXSQZAP-CABCVRRESA-N 1 0 380.432 1.622 20 0 GDADRO C[C@H](CO)[N@@H+]1CCCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000368967437 645634913 /nfs/dbraw/zinc/63/49/13/645634913.db2.gz XZFGFVODNALKQF-ABAIWWIYSA-N 1 0 388.281 1.503 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000570211760 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CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000372180493 645789829 /nfs/dbraw/zinc/78/98/29/645789829.db2.gz NHOGDFMRDYOGFY-AWEZNQCLSA-N 1 0 385.917 1.901 20 0 GDADRO O=C(CCC1CC[NH2+]CC1)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000570567743 651044842 /nfs/dbraw/zinc/04/48/42/651044842.db2.gz OCNRLMHAADSTAQ-UHFFFAOYSA-N 1 0 391.896 1.653 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000570631227 651047743 /nfs/dbraw/zinc/04/77/43/651047743.db2.gz JQSNDQPNCODQEM-LLVKDONJSA-N 1 0 399.257 1.873 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000377926800 645856599 /nfs/dbraw/zinc/85/65/99/645856599.db2.gz UKWPHMPKGKTWQV-AWEZNQCLSA-N 1 0 385.917 1.751 20 0 GDADRO C[C@H](NC(=O)c1cc(Br)cc(N(C)C)c1)C(=O)NCC[NH+](C)C ZINC000570738668 651053157 /nfs/dbraw/zinc/05/31/57/651053157.db2.gz JVAUNBRVGUQCPQ-NSHDSACASA-N 1 0 385.306 1.311 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414434245 645891382 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C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419177969 645913573 /nfs/dbraw/zinc/91/35/73/645913573.db2.gz AZJRWLYFUKXRPI-LBPRGKRZSA-N 1 0 382.302 1.663 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000419181914 645914054 /nfs/dbraw/zinc/91/40/54/645914054.db2.gz BRINPUIYQAOYBT-TZMCWYRMSA-N 1 0 382.302 1.551 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419369906 645914573 /nfs/dbraw/zinc/91/45/73/645914573.db2.gz GGKIGVUBRIZVBN-LBPRGKRZSA-N 1 0 382.302 1.841 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419401671 645916186 /nfs/dbraw/zinc/91/61/86/645916186.db2.gz OFDLVUKELBDVPL-CABZTGNLSA-N 1 0 375.256 1.140 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc(O)c(Br)c1)C1CCCCC1 ZINC000419419915 645916849 /nfs/dbraw/zinc/91/68/49/645916849.db2.gz ZOMOYXVPLCGBRD-CQSZACIVSA-N 1 0 398.301 1.795 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000419434828 645917161 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GDADRO C[C@H]1[C@@H]([NH3+])CCN1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000420356602 645941528 /nfs/dbraw/zinc/94/15/28/645941528.db2.gz RAWJFYSAPYRXIA-FZMZJTMJSA-N 1 0 388.921 1.340 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000420473582 645943712 /nfs/dbraw/zinc/94/37/12/645943712.db2.gz DNHUJNLFJDLFTP-SWLSCSKDSA-N 1 0 388.511 1.442 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420473385 645943852 /nfs/dbraw/zinc/94/38/52/645943852.db2.gz VGPQHAZXDVIZPX-CMPLNLGQSA-N 1 0 385.442 1.184 20 0 GDADRO O=C(NCCOc1ccc2cc(Br)ccc2c1)C(=O)NC1C[NH2+]C1 ZINC000570912119 651059821 /nfs/dbraw/zinc/05/98/21/651059821.db2.gz AJDLEESTLFXBMM-UHFFFAOYSA-N 1 0 392.253 1.185 20 0 GDADRO COCCCS(=O)(=O)NCC[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421024794 645979009 /nfs/dbraw/zinc/97/90/09/645979009.db2.gz QJENMTDZBMCWPC-HUUCEWRRSA-N 1 0 378.535 1.242 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCc4c3cccc4Br)C[C@@H]21 ZINC000421224919 645992761 /nfs/dbraw/zinc/99/27/61/645992761.db2.gz JBECCUFQPTVQSH-ABAIWWIYSA-N 1 0 378.270 1.501 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000421508493 646011721 /nfs/dbraw/zinc/01/17/21/646011721.db2.gz FGTVYPCPAGMMLR-AWEZNQCLSA-N 1 0 396.329 1.956 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000421699511 646019090 /nfs/dbraw/zinc/01/90/90/646019090.db2.gz BKUJIFIFKMNLND-ZDUSSCGKSA-N 1 0 396.285 1.727 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)[C@H](C)[NH3+] ZINC000422916187 646099332 /nfs/dbraw/zinc/09/93/32/646099332.db2.gz CRIXLEXWMGWBGA-BBRMVZONSA-N 1 0 387.933 1.792 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422953799 646102657 /nfs/dbraw/zinc/10/26/57/646102657.db2.gz GMPTVLFOZRTNDL-CYBMUJFWSA-N 1 0 394.313 1.851 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000422952853 646102670 /nfs/dbraw/zinc/10/26/70/646102670.db2.gz CIRLVNCYMNZKOW-CZUORRHYSA-N 1 0 398.301 1.969 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000422987365 646105672 /nfs/dbraw/zinc/10/56/72/646105672.db2.gz GCISHTQCKCWFJQ-QWHCGFSZSA-N 1 0 382.302 1.993 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000423005348 646107963 /nfs/dbraw/zinc/10/79/63/646107963.db2.gz RNWRBZJSQDFPIE-ZDUSSCGKSA-N 1 0 384.274 1.107 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423008318 646108780 /nfs/dbraw/zinc/10/87/80/646108780.db2.gz ZWDSNIUNUAMKPR-CYBMUJFWSA-N 1 0 384.274 1.236 20 0 GDADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423125689 646115753 /nfs/dbraw/zinc/11/57/53/646115753.db2.gz NYOSMIHZLDONLE-CQSZACIVSA-N 1 0 398.301 1.374 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000423239770 646121435 /nfs/dbraw/zinc/12/14/35/646121435.db2.gz SLPXJSYCYQDZOZ-UHFFFAOYSA-N 1 0 396.289 1.931 20 0 GDADRO C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)Oc1cccc(Br)c1 ZINC000423252509 646122524 /nfs/dbraw/zinc/12/25/24/646122524.db2.gz XSQRNEIQOOKWFG-GFCCVEGCSA-N 1 0 396.289 1.977 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423404577 646124619 /nfs/dbraw/zinc/12/46/19/646124619.db2.gz IXAWVWSOTCMFNA-CYBMUJFWSA-N 1 0 384.274 1.236 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423455372 646125823 /nfs/dbraw/zinc/12/58/23/646125823.db2.gz MDKVMSNLUCWIRF-SFHVURJKSA-N 1 0 394.313 1.928 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000423456183 646126071 /nfs/dbraw/zinc/12/60/71/646126071.db2.gz DIYKAMDBKKDVLX-SNVBAGLBSA-N 1 0 378.420 1.546 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)C1 ZINC000423521873 646127497 /nfs/dbraw/zinc/12/74/97/646127497.db2.gz LOJJDPQVDOCFSQ-GFCCVEGCSA-N 1 0 385.295 1.449 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000423527091 646128217 /nfs/dbraw/zinc/12/82/17/646128217.db2.gz MDHBPDSLKGKYCQ-JTQLQIEISA-N 1 0 384.249 1.423 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000423529644 646128295 /nfs/dbraw/zinc/12/82/95/646128295.db2.gz QEMIPDQSNPIGIN-NSHDSACASA-N 1 0 398.276 1.541 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000423586650 646133826 /nfs/dbraw/zinc/13/38/26/646133826.db2.gz DVOFUBGNUUBMSW-RHSMWYFYSA-N 1 0 395.301 1.705 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C[C@H](C)[NH2+]1 ZINC000423597466 646135662 /nfs/dbraw/zinc/13/56/62/646135662.db2.gz UERDKTNZXOPYRN-ZOWXZIJZSA-N 1 0 395.301 1.716 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423616084 646137734 /nfs/dbraw/zinc/13/77/34/646137734.db2.gz FMVLJEGMFJSABT-HNNXBMFYSA-N 1 0 382.302 1.790 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000423658210 646140831 /nfs/dbraw/zinc/14/08/31/646140831.db2.gz XJNMKCZVBZCUDX-STQMWFEESA-N 1 0 382.302 1.925 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000423665071 646141501 /nfs/dbraw/zinc/14/15/01/646141501.db2.gz JEOSZIUEEKPJJF-CFVMTHIKSA-N 1 0 394.313 1.961 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)C1 ZINC000423672784 646141802 /nfs/dbraw/zinc/14/18/02/646141802.db2.gz YYYSWLOSWSDTJG-OCCSQVGLSA-N 1 0 382.302 1.646 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000423682400 646142679 /nfs/dbraw/zinc/14/26/79/646142679.db2.gz VWIYNTBPIXAXIF-CHWSQXEVSA-N 1 0 388.295 1.917 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000423678234 646142814 /nfs/dbraw/zinc/14/28/14/646142814.db2.gz SGVRUROIOIKJGW-STQMWFEESA-N 1 0 384.933 1.241 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000423940660 646144462 /nfs/dbraw/zinc/14/44/62/646144462.db2.gz ATEZPKHTVWTHPQ-OTYXRUKQSA-N 1 0 394.269 1.629 20 0 GDADRO CN(C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H](C[NH3+])C1CC1 ZINC000423941527 646144532 /nfs/dbraw/zinc/14/45/32/646144532.db2.gz CPPCAZTXFBLSDR-DOMZBBRYSA-N 1 0 380.286 1.998 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000423981658 646148806 /nfs/dbraw/zinc/14/88/06/646148806.db2.gz GUIWWAKFPDBCMW-HACGYAERSA-N 1 0 385.555 1.653 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423992279 646150471 /nfs/dbraw/zinc/15/04/71/646150471.db2.gz OFHQWKJAPYAKQK-UONOGXRCSA-N 1 0 386.539 1.456 20 0 GDADRO C[NH2+]CCCN(C)C(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 ZINC000424014065 646153175 /nfs/dbraw/zinc/15/31/75/646153175.db2.gz TYVXHZNMODGAAY-MRXNPFEDSA-N 1 0 387.571 1.463 20 0 GDADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424015938 646153330 /nfs/dbraw/zinc/15/33/30/646153330.db2.gz CZOYATCQPQCJTD-ZDUSSCGKSA-N 1 0 399.285 1.997 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCCO1 ZINC000424026162 646154671 /nfs/dbraw/zinc/15/46/71/646154671.db2.gz UDBSTIBJHFHMNV-CHWSQXEVSA-N 1 0 386.279 1.923 20 0 GDADRO C[NH2+]CCCN(C)C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000424035829 646155288 /nfs/dbraw/zinc/15/52/88/646155288.db2.gz TWBKYUKAAVEQKU-GFCCVEGCSA-N 1 0 391.331 1.927 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000424048069 646155940 /nfs/dbraw/zinc/15/59/40/646155940.db2.gz PYAIRBNYYAOFLJ-UHFFFAOYSA-N 1 0 381.267 1.849 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000424056405 646156594 /nfs/dbraw/zinc/15/65/94/646156594.db2.gz KMFJXYBOSOTQLC-LBPRGKRZSA-N 1 0 386.279 1.659 20 0 GDADRO C[C@@H]1C[C@H](C)N(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000424050650 646156672 /nfs/dbraw/zinc/15/66/72/646156672.db2.gz FECJVGZBMRWRKD-RDBSUJKOSA-N 1 0 387.933 1.840 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 ZINC000424060361 646157415 /nfs/dbraw/zinc/15/74/15/646157415.db2.gz PPANITIHMYQAQI-LBPRGKRZSA-N 1 0 396.285 1.114 20 0 GDADRO C[C@@H]1C[C@H](C)N(C(=O)CSCc2cc(=O)n3ccsc3n2)C[C@H]1C[NH3+] ZINC000424062167 646158222 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COc1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000440745047 646253907 /nfs/dbraw/zinc/25/39/07/646253907.db2.gz HEPQPTXXZDUYRA-AWEZNQCLSA-N 1 0 375.288 1.832 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC[N@@H+]1C ZINC000442140199 646263030 /nfs/dbraw/zinc/26/30/30/646263030.db2.gz SCBQCVCTWBQZBE-GHMZBOCLSA-N 1 0 387.889 1.281 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000442154568 646263578 /nfs/dbraw/zinc/26/35/78/646263578.db2.gz LQMTUZKMBNSTAL-CMPLNLGQSA-N 1 0 384.274 1.995 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)CC1 ZINC000917898289 660224075 /nfs/dbraw/zinc/22/40/75/660224075.db2.gz IJRAVYNNDWCPBZ-UHFFFAOYSA-N 1 0 375.897 1.488 20 0 GDADRO CSc1ccc(S(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)cc1Cl ZINC000917899867 660224093 /nfs/dbraw/zinc/22/40/93/660224093.db2.gz ZWBIVEISIKWEGL-UHFFFAOYSA-N 1 0 389.974 1.930 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903486030 659317233 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1.155 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000442759314 647162698 /nfs/dbraw/zinc/16/26/98/647162698.db2.gz DJGODJCASQOVCP-UHFFFAOYSA-N 1 0 390.527 1.574 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000442762459 647162780 /nfs/dbraw/zinc/16/27/80/647162780.db2.gz QSGSCDFFZYFOEU-KGLIPLIRSA-N 1 0 384.318 1.955 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000443003902 647169131 /nfs/dbraw/zinc/16/91/31/647169131.db2.gz BMWDCUKROJUQKV-FRRDWIJNSA-N 1 0 387.527 1.956 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000443014363 647170470 /nfs/dbraw/zinc/17/04/70/647170470.db2.gz ZPKQICWZTGUCHD-UHFFFAOYSA-N 1 0 387.483 1.584 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000443103663 647182092 /nfs/dbraw/zinc/18/20/92/647182092.db2.gz BKUKPKMJCGXEHJ-UHFFFAOYSA-N 1 0 375.516 1.720 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)C2 ZINC000920273190 660268285 /nfs/dbraw/zinc/26/82/85/660268285.db2.gz DHPRONKAPOVVFD-QMIVOQANSA-N 1 0 399.384 1.969 20 0 GDADRO CO[C@H](CC(C)C)CS(=O)(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000920273692 660268507 /nfs/dbraw/zinc/26/85/07/660268507.db2.gz JISFKGIFURLHSD-ZKXLYKBJSA-N 1 0 376.563 1.447 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ncn(C)c3Cl)C2)[C@@H]1C(C)C ZINC000920295200 660269331 /nfs/dbraw/zinc/26/93/31/660269331.db2.gz JYKQQJYJUIXOLJ-NFFDBFGFSA-N 1 0 390.937 1.222 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000445551482 647269954 /nfs/dbraw/zinc/26/99/54/647269954.db2.gz GPKKFPBCUDXOGH-KGLIPLIRSA-N 1 0 389.543 1.265 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2cccc(I)c2)C1 ZINC000445560697 647270848 /nfs/dbraw/zinc/27/08/48/647270848.db2.gz ZFWVIKDLOHPCRI-QWRGUYRKSA-N 1 0 380.251 1.839 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000445782697 647274550 /nfs/dbraw/zinc/27/45/50/647274550.db2.gz GDFVLKLEDRJVDM-AAEUAGOBSA-N 1 0 387.889 1.316 20 0 GDADRO CCS(=O)(=O)NCCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000454460776 647356722 /nfs/dbraw/zinc/35/67/22/647356722.db2.gz BKKKWPWYHZKBSO-UHFFFAOYSA-N 1 0 376.567 1.468 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@H](C)[N@H+]1CCO ZINC000454919305 647364640 /nfs/dbraw/zinc/36/46/40/647364640.db2.gz UANVIZYTPVYNFD-PHIMTYICSA-N 1 0 387.278 1.067 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000920428454 660271340 /nfs/dbraw/zinc/27/13/40/660271340.db2.gz ILXUNYLBWRRJKG-TXEJJXNPSA-N 1 0 389.905 1.217 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000456495158 647402184 /nfs/dbraw/zinc/40/21/84/647402184.db2.gz OCFCVJPPWQJGBA-HIFRSBDPSA-N 1 0 385.302 1.819 20 0 GDADRO O=C(NCCC[NH+]1CCCCC1)NCCn1cc(Br)ccc1=O ZINC000457538412 647421759 /nfs/dbraw/zinc/42/17/59/647421759.db2.gz ZGIUWWIWRGXCJS-UHFFFAOYSA-N 1 0 385.306 1.786 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457658796 647423306 /nfs/dbraw/zinc/42/33/06/647423306.db2.gz DVQSATMMISVJAU-MRXNPFEDSA-N 1 0 386.283 1.676 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000458205643 647438077 /nfs/dbraw/zinc/43/80/77/647438077.db2.gz SBAGBZNQIUKOHE-UHFFFAOYSA-N 1 0 387.571 1.844 20 0 GDADRO Cc1ccc(S(N)(=O)=O)c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000458223811 647438693 /nfs/dbraw/zinc/43/86/93/647438693.db2.gz NHOWUWCQVMUWGD-UHFFFAOYSA-N 1 0 381.523 1.908 20 0 GDADRO O=C(NCCc1nc(C(F)(F)F)cs1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458460846 647441257 /nfs/dbraw/zinc/44/12/57/647441257.db2.gz FNTSSVBVAYOMGV-NSHDSACASA-N 1 0 380.436 1.850 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458575772 647444148 /nfs/dbraw/zinc/44/41/48/647444148.db2.gz PVOYOTMICAHFIC-CYBMUJFWSA-N 1 0 391.299 1.913 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000458678059 647445825 /nfs/dbraw/zinc/44/58/25/647445825.db2.gz VGLDWILJDKMRAF-LBPRGKRZSA-N 1 0 388.310 1.958 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1Br ZINC000460253740 647468225 /nfs/dbraw/zinc/46/82/25/647468225.db2.gz JONWHLBVVZQVAX-BDJLRTHQSA-N 1 0 386.290 1.885 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000461903107 647503487 /nfs/dbraw/zinc/50/34/87/647503487.db2.gz SWJXTXBVWSBBEM-LLVKDONJSA-N 1 0 381.267 1.955 20 0 GDADRO Cc1nc(C(F)(F)F)sc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000462042200 647504665 /nfs/dbraw/zinc/50/46/65/647504665.db2.gz YTDSHYQDWGKJJX-SNVBAGLBSA-N 1 0 378.420 1.788 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)[C@H](C)C1 ZINC000462146572 647513676 /nfs/dbraw/zinc/51/36/76/647513676.db2.gz OKKIKFHWSNDHNG-QZWWFDLISA-N 1 0 377.551 1.067 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)C1 ZINC000462581160 647532450 /nfs/dbraw/zinc/53/24/50/647532450.db2.gz ZNQGJPPDYKMMNL-HNNXBMFYSA-N 1 0 388.555 1.833 20 0 GDADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000462890678 647546884 /nfs/dbraw/zinc/54/68/84/647546884.db2.gz CCDDTOWBSUXHLK-UONOGXRCSA-N 1 0 383.539 1.651 20 0 GDADRO CN(CC[NH2+]Cc1cn(C)nc1C(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC000462898578 647547006 /nfs/dbraw/zinc/54/70/06/647547006.db2.gz YCIXDNFHWMXTLR-UHFFFAOYSA-N 1 0 376.404 1.907 20 0 GDADRO Cc1nc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)ccc1I ZINC000463136850 647550918 /nfs/dbraw/zinc/55/09/18/647550918.db2.gz HNUNXODTINGIKW-FGWVZKOKSA-N 1 0 399.232 1.748 20 0 GDADRO COc1cc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)sc1S(N)(=O)=O ZINC000465197522 647593465 /nfs/dbraw/zinc/59/34/65/647593465.db2.gz PXDJMCXSIUKGJP-LLVKDONJSA-N 1 0 375.516 1.112 20 0 GDADRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000465268271 647594769 /nfs/dbraw/zinc/59/47/69/647594769.db2.gz UCGIXYSLLGZNQS-UHFFFAOYSA-N 1 0 389.543 1.359 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CN1CCOCC1=O ZINC000468309030 647661550 /nfs/dbraw/zinc/66/15/50/647661550.db2.gz NIIIOTQGRGDFEJ-UHFFFAOYSA-N 1 0 398.301 1.198 20 0 GDADRO COCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000468835950 647678846 /nfs/dbraw/zinc/67/88/46/647678846.db2.gz DOYCJHJFCNLDHI-CYBMUJFWSA-N 1 0 384.274 1.569 20 0 GDADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000469773525 647715761 /nfs/dbraw/zinc/71/57/61/647715761.db2.gz ZJNLQMVZMHIJFT-HZPDHXFCSA-N 1 0 393.619 1.817 20 0 GDADRO COC(=O)CCCCCS(=O)(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000471625702 647748825 /nfs/dbraw/zinc/74/88/25/647748825.db2.gz DIXVDHHABRAICC-HUUCEWRRSA-N 1 0 378.560 1.561 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000476596786 647783610 /nfs/dbraw/zinc/78/36/10/647783610.db2.gz MCWHDFMCEZSPSA-GFCCVEGCSA-N 1 0 388.299 1.477 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)Cc1ccccc1Br)C[NH+](C)C ZINC000921635495 660317329 /nfs/dbraw/zinc/31/73/29/660317329.db2.gz XPZFYPNWKHTZGD-ZDUSSCGKSA-N 1 0 379.320 1.835 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000477097009 647794162 /nfs/dbraw/zinc/79/41/62/647794162.db2.gz HMBUJNOAZPHOGG-SNVBAGLBSA-N 1 0 380.436 1.967 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)C[NH+](C)C ZINC000921644854 660318412 /nfs/dbraw/zinc/31/84/12/660318412.db2.gz RZKZHOIRSPLQHW-LLVKDONJSA-N 1 0 378.878 1.372 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)Cc1ccc(Br)cc1O ZINC000477364180 647802689 /nfs/dbraw/zinc/80/26/89/647802689.db2.gz GNDKVEPDSUWEHJ-UHFFFAOYSA-N 1 0 384.318 1.793 20 0 GDADRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000477421762 647804016 /nfs/dbraw/zinc/80/40/16/647804016.db2.gz BLTOGPKMXDOJJR-UHFFFAOYSA-N 1 0 385.555 1.145 20 0 GDADRO CCc1nc(C(=O)N2CCO[C@H](C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000478724755 647814408 /nfs/dbraw/zinc/81/44/08/647814408.db2.gz NMJFUYYHPKCYLD-SNVBAGLBSA-N 1 0 384.267 1.936 20 0 GDADRO CC(C)(C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(N)=O ZINC000480170119 647840858 /nfs/dbraw/zinc/84/08/58/647840858.db2.gz PSEXKKREQHMIMU-LLVKDONJSA-N 1 0 375.288 1.769 20 0 GDADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000480744051 647854254 /nfs/dbraw/zinc/85/42/54/647854254.db2.gz SVUASIJSMSTFKE-GJZGRUSLSA-N 1 0 380.286 1.779 20 0 GDADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CCn2nc(C(F)(F)F)cc2C1 ZINC000921698519 660323875 /nfs/dbraw/zinc/32/38/75/660323875.db2.gz STEXDERBRDXMGW-AWEZNQCLSA-N 1 0 378.420 1.533 20 0 GDADRO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000481433952 647876120 /nfs/dbraw/zinc/87/61/20/647876120.db2.gz JAVTXAHDJMBPNS-LLVKDONJSA-N 1 0 377.894 1.265 20 0 GDADRO COC(=O)c1cnc([C@@H]2CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)s1 ZINC000921731342 660327633 /nfs/dbraw/zinc/32/76/33/660327633.db2.gz CWJPFAKAOYYAGE-CYBMUJFWSA-N 1 0 387.527 1.535 20 0 GDADRO Cc1c([C@H](C)NC[C@@H](O)C[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000482638652 647896919 /nfs/dbraw/zinc/89/69/19/647896919.db2.gz BIAHSALKVQTMNN-XHDPSFHLSA-N 1 0 382.306 1.911 20 0 GDADRO O[C@H](Cn1cccn1)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000483586500 647905549 /nfs/dbraw/zinc/90/55/49/647905549.db2.gz AUBIVKLZENWNJR-KRWDZBQOSA-N 1 0 379.302 1.824 20 0 GDADRO NC(=O)NC(=O)CCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000483586133 647905616 /nfs/dbraw/zinc/90/56/16/647905616.db2.gz AFNHFTPEZHWTIU-UHFFFAOYSA-N 1 0 383.290 1.542 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000485775779 647928633 /nfs/dbraw/zinc/92/86/33/647928633.db2.gz MVIPTBSJQUTYRI-TZMCWYRMSA-N 1 0 398.301 1.725 20 0 GDADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000490003027 647983702 /nfs/dbraw/zinc/98/37/02/647983702.db2.gz HZNSDQRZHOBRHY-LLVKDONJSA-N 1 0 392.294 1.256 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000495579475 648014031 /nfs/dbraw/zinc/01/40/31/648014031.db2.gz XCBIRLAMPPSQRI-UHFFFAOYSA-N 1 0 375.416 1.688 20 0 GDADRO CS[C@H]1CN(C(=O)CCn2cc(Br)ccc2=O)C[C@@H]1[NH+](C)C ZINC000495713503 648015070 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1.244 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[C@H]1[NH3+] ZINC000497366959 648027946 /nfs/dbraw/zinc/02/79/46/648027946.db2.gz QJXGHYHKLPCZFJ-ZWNOBZJWSA-N 1 0 376.320 1.873 20 0 GDADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000498207939 648051328 /nfs/dbraw/zinc/05/13/28/648051328.db2.gz NKPSGAJCRHNSRB-ZDUSSCGKSA-N 1 0 375.803 1.372 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@@H]([NH3+])CC(F)F)c1 ZINC000498207353 648051335 /nfs/dbraw/zinc/05/13/35/648051335.db2.gz CMDGKUSTRZINOJ-NSHDSACASA-N 1 0 378.445 1.680 20 0 GDADRO Cc1ccc(C)c(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000499112854 648076161 /nfs/dbraw/zinc/07/61/61/648076161.db2.gz BWNCKMPODGILRF-INIZCTEOSA-N 1 0 388.555 1.433 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)c1cc(Br)c2c(c1)OCCO2 ZINC000499719308 648090559 /nfs/dbraw/zinc/09/05/59/648090559.db2.gz FEHKCHMFSKBMEC-UHFFFAOYSA-N 1 0 378.226 1.879 20 0 GDADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000501790273 648145633 /nfs/dbraw/zinc/14/56/33/648145633.db2.gz QZBQAJOEGMSYQQ-CQSZACIVSA-N 1 0 375.560 1.926 20 0 GDADRO CC[NH+](CC)CCN(C(=O)Cc1nc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000503461758 648187342 /nfs/dbraw/zinc/18/73/42/648187342.db2.gz MVMGOBBLHDSZNM-OAHLLOKOSA-N 1 0 387.571 1.660 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCOCC(F)(F)C(F)(F)F ZINC000505544386 648212515 /nfs/dbraw/zinc/21/25/15/648212515.db2.gz CETMWZOEIZZTIA-LBPRGKRZSA-N 1 0 375.382 1.733 20 0 GDADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000506688012 648223908 /nfs/dbraw/zinc/22/39/08/648223908.db2.gz NJFSZLJYNLSRLH-UONOGXRCSA-N 1 0 384.249 1.528 20 0 GDADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000507264807 648239948 /nfs/dbraw/zinc/23/99/48/648239948.db2.gz FFJYCBQPEWVMOV-ZIAGYGMSSA-N 1 0 379.810 1.589 20 0 GDADRO C[NH+](C)CC1(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CCC1 ZINC000508651528 648254668 /nfs/dbraw/zinc/25/46/68/648254668.db2.gz NZMUKKOGFFQCFO-UHFFFAOYSA-N 1 0 375.441 1.234 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c1OC ZINC000508891489 648262249 /nfs/dbraw/zinc/26/22/49/648262249.db2.gz USBZMIOQIKRQPK-UHFFFAOYSA-N 1 0 389.905 1.423 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1OC ZINC000509450228 648288431 /nfs/dbraw/zinc/28/84/31/648288431.db2.gz JFRDDYQQGRFVGJ-ZYHUDNBSSA-N 1 0 389.905 1.469 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000509486132 648290344 /nfs/dbraw/zinc/29/03/44/648290344.db2.gz CZDHMQCIASPKGH-LLVKDONJSA-N 1 0 391.921 1.717 20 0 GDADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000509643050 648294790 /nfs/dbraw/zinc/29/47/90/648294790.db2.gz LYNZGGPTBYVSQH-CYBMUJFWSA-N 1 0 387.468 1.391 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000509826794 648301476 /nfs/dbraw/zinc/30/14/76/648301476.db2.gz OAEIHAUGGDUUJC-NSHDSACASA-N 1 0 394.273 1.640 20 0 GDADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000510097189 648317110 /nfs/dbraw/zinc/31/71/10/648317110.db2.gz GBJVCGZDMRQKQE-JKSUJKDBSA-N 1 0 388.555 1.819 20 0 GDADRO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510751027 648340315 /nfs/dbraw/zinc/34/03/15/648340315.db2.gz UWZSDEZRHBRMRE-CHWSQXEVSA-N 1 0 387.468 1.483 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1cc(F)cc(F)c1 ZINC000510784116 648342025 /nfs/dbraw/zinc/34/20/25/648342025.db2.gz UJRBOABBILORBZ-HUUCEWRRSA-N 1 0 375.441 1.031 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000510789652 648342211 /nfs/dbraw/zinc/34/22/11/648342211.db2.gz AMOYOSDMYUIWHZ-LSDHHAIUSA-N 1 0 378.491 1.049 20 0 GDADRO Ic1cnc(C[NH2+]CCc2nnc3n2CCC3)s1 ZINC000511788970 648387190 /nfs/dbraw/zinc/38/71/90/648387190.db2.gz VXKXGGYFWYOBII-UHFFFAOYSA-N 1 0 375.239 1.618 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000512258107 648400338 /nfs/dbraw/zinc/40/03/38/648400338.db2.gz CARPTFXHGACTAR-QWHCGFSZSA-N 1 0 382.404 1.198 20 0 GDADRO Cc1nc2ccc(S(=O)(=O)N3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)cc2s1 ZINC000514667718 648458316 /nfs/dbraw/zinc/45/83/16/648458316.db2.gz AOLQVMQUAVVBSE-UONOGXRCSA-N 1 0 377.495 1.454 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)C[C@@H]21 ZINC000514672702 648458779 /nfs/dbraw/zinc/45/87/79/648458779.db2.gz PKSGXRBESRSIRH-SGMGOOAPSA-N 1 0 383.901 1.973 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1I ZINC000514672912 648458810 /nfs/dbraw/zinc/45/88/10/648458810.db2.gz YUUCQEXKHUHUCA-MNOVXSKESA-N 1 0 394.278 1.957 20 0 GDADRO O=C(C[C@@H]1COCC[NH2+]1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000514733569 648463000 /nfs/dbraw/zinc/46/30/00/648463000.db2.gz VEPJNFQROBEYMZ-OAHLLOKOSA-N 1 0 398.301 1.280 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(F)cc1Br ZINC000514777621 648465893 /nfs/dbraw/zinc/46/58/93/648465893.db2.gz PWCOPEQVXWCXDP-YGRLFVJLSA-N 1 0 384.249 1.998 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000514920482 648471582 /nfs/dbraw/zinc/47/15/82/648471582.db2.gz LKEDEAKQIQVABJ-NSHDSACASA-N 1 0 394.324 1.872 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000515342580 648491154 /nfs/dbraw/zinc/49/11/54/648491154.db2.gz HXMRWWXJPWDALN-GOSISDBHSA-N 1 0 394.313 1.976 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000515342556 648491161 /nfs/dbraw/zinc/49/11/61/648491161.db2.gz YMWZMZMROFUXOZ-UHFFFAOYSA-N 1 0 396.329 1.959 20 0 GDADRO C[NH+](C)CCCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000515443629 648496218 /nfs/dbraw/zinc/49/62/18/648496218.db2.gz GXRNIIJDVHXENP-UHFFFAOYSA-N 1 0 389.543 1.117 20 0 GDADRO Cc1nc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)sc1Br ZINC000515523265 648498672 /nfs/dbraw/zinc/49/86/72/648498672.db2.gz VQXAQGCAOGCDFR-NSHDSACASA-N 1 0 388.335 1.403 20 0 GDADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Br)cnc2C)CC1 ZINC000516151421 648514751 /nfs/dbraw/zinc/51/47/51/648514751.db2.gz ZXKBHIKWLIETRT-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO C[C@@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(Br)cc1F ZINC000516584988 648527507 /nfs/dbraw/zinc/52/75/07/648527507.db2.gz HQKCYAMIEAENPT-OLUVUFQESA-N 1 0 399.264 1.603 20 0 GDADRO C[NH+](C)[C@H]1CN(Cc2noc(Cc3ccc(Br)cc3)n2)C[C@@H]1O ZINC000517244704 648561744 /nfs/dbraw/zinc/56/17/44/648561744.db2.gz LTBFZBLRQZMBAG-KBPBESRZSA-N 1 0 381.274 1.530 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CCCO1 ZINC000517356370 648564949 /nfs/dbraw/zinc/56/49/49/648564949.db2.gz ZGRSIMNQMOSPAB-LBPRGKRZSA-N 1 0 386.279 1.454 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000517932385 648581837 /nfs/dbraw/zinc/58/18/37/648581837.db2.gz LXYHWMJORHMMFB-OAHLLOKOSA-N 1 0 392.301 1.658 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)c2sccc2S(=O)(=O)NCc2ccco2)C1 ZINC000518395158 648596601 /nfs/dbraw/zinc/59/66/01/648596601.db2.gz AKIWKRVVBVJNIR-LBPRGKRZSA-N 1 0 383.495 1.501 20 0 GDADRO Cc1cc(=O)n2nc(CN3CC[NH+](CCc4cccs4)CC3)sc2n1 ZINC000518557919 648602798 /nfs/dbraw/zinc/60/27/98/648602798.db2.gz YEMBZZUPRRWSSX-UHFFFAOYSA-N 1 0 375.523 1.881 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000518812017 648612153 /nfs/dbraw/zinc/61/21/53/648612153.db2.gz AVCLUWUIOWKWQS-STQMWFEESA-N 1 0 387.571 1.811 20 0 GDADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(S(N)(=O)=O)s2)c1 ZINC000519141235 648622178 /nfs/dbraw/zinc/62/21/78/648622178.db2.gz UPYLSNQDWDRCAN-UHFFFAOYSA-N 1 0 381.523 1.908 20 0 GDADRO O=C(NCc1nc2ccc(Br)cc2o1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000519641087 648632236 /nfs/dbraw/zinc/63/22/36/648632236.db2.gz LDTINDSCUDVQBK-ZDUSSCGKSA-N 1 0 379.258 1.596 20 0 GDADRO CC[NH+](CC)CCN(C(=O)[C@H]1CC(=O)N(C)C1)c1ccc(Br)cn1 ZINC000519651973 648633624 /nfs/dbraw/zinc/63/36/24/648633624.db2.gz NUGLOALLHLJHFY-ZDUSSCGKSA-N 1 0 397.317 1.997 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000520226447 648646407 /nfs/dbraw/zinc/64/64/07/648646407.db2.gz SKFHSLVITSHTML-WDEREUQCSA-N 1 0 388.456 1.110 20 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648700776 /nfs/dbraw/zinc/70/07/76/648700776.db2.gz OLRCBRLRYDSENR-CYBMUJFWSA-N 1 0 383.290 1.760 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1)c1ccsc1 ZINC000527656390 648708325 /nfs/dbraw/zinc/70/83/25/648708325.db2.gz DYMUZAFHLBPWGX-HNNXBMFYSA-N 1 0 386.543 1.170 20 0 GDADRO O=C1C[C@H]([NH2+]Cc2ccsc2C(F)(F)F)CN1CCN1CCOCC1 ZINC000527665399 648708803 /nfs/dbraw/zinc/70/88/03/648708803.db2.gz QSHBQCWFPZYWAB-ZDUSSCGKSA-N 1 0 377.432 1.790 20 0 GDADRO OC[C@@H]1C[NH+](CCCOc2cccc(I)c2)C[C@H]1CO ZINC000528603574 648723674 /nfs/dbraw/zinc/72/36/74/648723674.db2.gz DOCVLOZTZHQXMM-STQMWFEESA-N 1 0 391.249 1.593 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000571046166 651064446 /nfs/dbraw/zinc/06/44/46/651064446.db2.gz BFXXWTHAHNZRFN-PWSUYJOCSA-N 1 0 377.304 1.712 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000571048010 651064458 /nfs/dbraw/zinc/06/44/58/651064458.db2.gz XUZMMOQNVXSZKS-GVXVVHGQSA-N 1 0 377.507 1.078 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000571046383 651064534 /nfs/dbraw/zinc/06/45/34/651064534.db2.gz HWYWLOLNNNQDIX-LLVKDONJSA-N 1 0 392.319 1.361 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)s1 ZINC000571115001 651065497 /nfs/dbraw/zinc/06/54/97/651065497.db2.gz VUCUBGYSWPCWNF-ZDUSSCGKSA-N 1 0 389.543 1.163 20 0 GDADRO O=S1(=O)CCCN1C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000571144192 651066454 /nfs/dbraw/zinc/06/64/54/651066454.db2.gz JOZQZRZDCCHGJK-INIZCTEOSA-N 1 0 388.917 1.580 20 0 GDADRO [NH3+]C[C@@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000571165906 651067654 /nfs/dbraw/zinc/06/76/54/651067654.db2.gz USCOGDBWRKTGBE-LBPRGKRZSA-N 1 0 383.290 1.175 20 0 GDADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000571185550 651068559 /nfs/dbraw/zinc/06/85/59/651068559.db2.gz OPFMHVRCOOVKLV-FICVDOATSA-N 1 0 391.273 1.389 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000571205149 651069056 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CN(CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000572244576 651093001 /nfs/dbraw/zinc/09/30/01/651093001.db2.gz ZKZHZVZYKFKDME-QWRGUYRKSA-N 1 0 377.919 1.090 20 0 GDADRO Brc1c[nH+]c(NCc2cn3cccnc3n2)cc1N1CCOCC1 ZINC000572250663 651093078 /nfs/dbraw/zinc/09/30/78/651093078.db2.gz WITMFTHTTRFZAJ-UHFFFAOYSA-N 1 0 389.257 2.336 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)ncc1Br ZINC000572376109 651095397 /nfs/dbraw/zinc/09/53/97/651095397.db2.gz TZCQMNVZWZGMLE-UHFFFAOYSA-N 1 0 381.274 1.693 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000572523869 651099410 /nfs/dbraw/zinc/09/94/10/651099410.db2.gz NVFJTRIIMVTRNY-CJNGLKHVSA-N 1 0 398.301 1.456 20 0 GDADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000572735196 651104256 /nfs/dbraw/zinc/10/42/56/651104256.db2.gz QIQCPKXMTCNYSM-PHIMTYICSA-N 1 0 384.249 1.985 20 0 GDADRO CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000572753000 651104901 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GDADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)NC2C[NH2+]C2)c1C ZINC000573817159 651496693 /nfs/dbraw/zinc/49/66/93/651496693.db2.gz YWBYDQXLCMPUAK-UHFFFAOYSA-N 1 0 392.257 1.278 20 0 GDADRO C[C@@]1(F)C[NH2+]CCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000573967289 651505569 /nfs/dbraw/zinc/50/55/69/651505569.db2.gz OREINSCORUJYKS-CQSZACIVSA-N 1 0 379.295 1.856 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000574359431 651535381 /nfs/dbraw/zinc/53/53/81/651535381.db2.gz YZALUEQWVQMAAA-NSHDSACASA-N 1 0 386.290 1.655 20 0 GDADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCOc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000574393177 651537856 /nfs/dbraw/zinc/53/78/56/651537856.db2.gz QAHYUKNUJMMGPR-IIAWOOMASA-N 1 0 387.318 1.888 20 0 GDADRO O=C(c1cccc(Cl)c1)N1CCC[C@@H](S(=O)(=O)NC2CC[NH2+]CC2)C1 ZINC000574398813 651538435 /nfs/dbraw/zinc/53/84/35/651538435.db2.gz NQCNWEKUGKJNJN-MRXNPFEDSA-N 1 0 385.917 1.616 20 0 GDADRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1[NH+](C)C ZINC000574563760 651552218 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[NH3+]C[C@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)CC12CCOCC2 ZINC000576584907 651672943 /nfs/dbraw/zinc/67/29/43/651672943.db2.gz VFSXVIFRIRUZRS-NSHDSACASA-N 1 0 379.404 1.476 20 0 GDADRO CS(=O)(=O)C1(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000576756901 651684419 /nfs/dbraw/zinc/68/44/19/651684419.db2.gz SOINPRFDSHKGLD-HUUCEWRRSA-N 1 0 386.901 1.453 20 0 GDADRO O=C(COC1CC[NH2+]CC1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000576861436 651690867 /nfs/dbraw/zinc/69/08/67/651690867.db2.gz OOHKZKPWZKXSCR-UHFFFAOYSA-N 1 0 394.273 1.619 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000576927845 651696132 /nfs/dbraw/zinc/69/61/32/651696132.db2.gz DUHNYMKZZWULBW-KBPBESRZSA-N 1 0 386.327 1.775 20 0 GDADRO O=C(c1ccc(Br)o1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577107432 651706917 /nfs/dbraw/zinc/70/69/17/651706917.db2.gz ZGWMTFPYUYTFSG-NEPJUHHUSA-N 1 0 397.273 1.402 20 0 GDADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000577166091 651711793 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20 0 GDADRO CC1(NC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC[NH2+]CC1 ZINC000579215847 651841328 /nfs/dbraw/zinc/84/13/28/651841328.db2.gz ISTQMMMSBUGQEG-ZDUSSCGKSA-N 1 0 386.543 1.200 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000579301601 651848604 /nfs/dbraw/zinc/84/86/04/651848604.db2.gz RTYYKISOIAQXTP-UHFFFAOYSA-N 1 0 398.301 1.640 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000579312052 651849646 /nfs/dbraw/zinc/84/96/46/651849646.db2.gz LLNFPSIWAFVZRA-UHFFFAOYSA-N 1 0 386.539 1.633 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000579815655 651877921 /nfs/dbraw/zinc/87/79/21/651877921.db2.gz SSHMEDJBULFXLA-CQSZACIVSA-N 1 0 392.934 1.075 20 0 GDADRO Cn1ccnc1Sc1ncc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1Cl ZINC000579835417 651879594 /nfs/dbraw/zinc/87/95/94/651879594.db2.gz YFCWRCUUEPXBIL-UHFFFAOYSA-N 1 0 381.889 1.546 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000579936436 651886293 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COC[C@@]1(CNC(=O)CNC(=O)c2cccc(Br)c2)CCC[NH2+]1 ZINC000580429558 651915916 /nfs/dbraw/zinc/91/59/16/651915916.db2.gz OVKMKPPOANPDMC-INIZCTEOSA-N 1 0 384.274 1.064 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000580539335 651923467 /nfs/dbraw/zinc/92/34/67/651923467.db2.gz HXKHGFFOXBEQFA-GFCCVEGCSA-N 1 0 383.290 1.559 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)Cn1cccn1)c1cccc(Cl)c1Cl ZINC000580555207 651925189 /nfs/dbraw/zinc/92/51/89/651925189.db2.gz KAAPESZOZQNRRM-NSHDSACASA-N 1 0 393.296 1.119 20 0 GDADRO OC[C@@H](CN1CCCC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000580563958 651926133 /nfs/dbraw/zinc/92/61/33/651926133.db2.gz HWCWGRYPAZOIAC-HUUCEWRRSA-N 1 0 391.281 1.374 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000580769397 651937684 /nfs/dbraw/zinc/93/76/84/651937684.db2.gz OMOGDSVZUYQOEG-LBPRGKRZSA-N 1 0 384.420 1.363 20 0 GDADRO CCN1CCC([NH+]2CCC(C(=O)Nc3n[nH]cc3Br)CC2)CC1 ZINC000580783577 651939319 /nfs/dbraw/zinc/93/93/19/651939319.db2.gz KMHZADVANVKMFM-UHFFFAOYSA-N 1 0 384.322 2.307 20 0 GDADRO COC[C@]1(CNS(=O)(=O)c2cc(Cl)c(OC)cc2OC)CCC[NH2+]1 ZINC000580833315 651942381 /nfs/dbraw/zinc/94/23/81/651942381.db2.gz HOGIXWICWCZCAS-OAHLLOKOSA-N 1 0 378.878 1.404 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000580828789 651942498 /nfs/dbraw/zinc/94/24/98/651942498.db2.gz LQLFOMSGSGYCGO-KBPBESRZSA-N 1 0 380.432 1.622 20 0 GDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000581010563 651954193 /nfs/dbraw/zinc/95/41/93/651954193.db2.gz QWOAWLRTFHPRIE-VIFPVBQESA-N 1 0 383.754 1.216 20 0 GDADRO O=C1[C@H](N2CCN([C@H]3CC[NH2+]C3)CC2)CCN1c1cccc(Br)c1 ZINC000581072416 651958644 /nfs/dbraw/zinc/95/86/44/651958644.db2.gz OWBIQRBENHCPIH-DLBZAZTESA-N 1 0 393.329 1.534 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000581072517 651958744 /nfs/dbraw/zinc/95/87/44/651958744.db2.gz STWDYTKUKATYPY-HOTGVXAUSA-N 1 0 389.539 1.393 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000581131860 651960693 /nfs/dbraw/zinc/96/06/93/651960693.db2.gz YPBIPFVMCCZGBM-RRQGHBQHSA-N 1 0 386.539 1.618 20 0 GDADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C[C@@H](C)C1 ZINC000581141617 651961491 /nfs/dbraw/zinc/96/14/91/651961491.db2.gz XTJAQCZTBAXENX-YWPYICTPSA-N 1 0 385.917 1.790 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[C@H](O)COCc1cccs1 ZINC000581186077 651964297 /nfs/dbraw/zinc/96/42/97/651964297.db2.gz MPCWDWMPPUNMSU-HNNXBMFYSA-N 1 0 384.523 1.666 20 0 GDADRO C[C@H](C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)[NH+]1CC(C)C1 ZINC000581200298 651965573 /nfs/dbraw/zinc/96/55/73/651965573.db2.gz OTBGQIRBYRZVAG-LLVKDONJSA-N 1 0 377.436 1.936 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000581251022 651967343 /nfs/dbraw/zinc/96/73/43/651967343.db2.gz DUZZBZDGRQEHBL-GHMZBOCLSA-N 1 0 388.281 1.879 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581380745 651976836 /nfs/dbraw/zinc/97/68/36/651976836.db2.gz DOGONQPXXDIZGM-GMXABZIVSA-N 1 0 398.276 1.537 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000582110292 651985602 /nfs/dbraw/zinc/98/56/02/651985602.db2.gz VPHZBYIRENDHHT-UHFFFAOYSA-N 1 0 396.289 1.722 20 0 GDADRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1cc(Br)c(F)cc1F ZINC000582474614 651998480 /nfs/dbraw/zinc/99/84/80/651998480.db2.gz OTIXRZWBVZHMHK-UHFFFAOYSA-N 1 0 377.189 1.281 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000582521663 652001818 /nfs/dbraw/zinc/00/18/18/652001818.db2.gz XBZSZYRPSHALOG-OAHLLOKOSA-N 1 0 375.535 1.218 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NCC1CC[NH2+]CC1 ZINC000582536201 652002789 /nfs/dbraw/zinc/00/27/89/652002789.db2.gz JXQZYBRCENZHAK-UHFFFAOYSA-N 1 0 392.884 1.056 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000583041116 652024000 /nfs/dbraw/zinc/02/40/00/652024000.db2.gz UNMASKGEWKVELL-GFCCVEGCSA-N 1 0 398.301 1.627 20 0 GDADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000583202598 652030101 /nfs/dbraw/zinc/03/01/01/652030101.db2.gz KYDWUCGROQRZJP-VXGBXAGGSA-N 1 0 378.274 1.954 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000583930541 652050215 /nfs/dbraw/zinc/05/02/15/652050215.db2.gz QCJUUTGQEVWQDP-KGLIPLIRSA-N 1 0 376.906 1.483 20 0 GDADRO Cc1cc(Br)oc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000583929367 652050222 /nfs/dbraw/zinc/05/02/22/652050222.db2.gz DWYLVKGMQKNAFE-RISCZKNCSA-N 1 0 384.274 1.727 20 0 GDADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000584231176 652062517 /nfs/dbraw/zinc/06/25/17/652062517.db2.gz DYBRWKIUQUKYOK-AWEZNQCLSA-N 1 0 391.559 1.513 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589131388 652109842 /nfs/dbraw/zinc/10/98/42/652109842.db2.gz MRNWGRILCONZPS-NSHDSACASA-N 1 0 377.451 1.634 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3cccc(I)c3)[C@@H]2C1 ZINC000590011594 652124545 /nfs/dbraw/zinc/12/45/45/652124545.db2.gz KDGJBHYTXVAXHH-BXUZGUMPSA-N 1 0 385.249 1.866 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(I)cc2)CCO1 ZINC000591271915 652157734 /nfs/dbraw/zinc/15/77/34/652157734.db2.gz DPJDFLOQJJBIKQ-CABZTGNLSA-N 1 0 375.210 1.871 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591292349 652158830 /nfs/dbraw/zinc/15/88/30/652158830.db2.gz MRIQLTRFXJZTRI-SECBINFHSA-N 1 0 388.251 1.977 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000591294655 652159252 /nfs/dbraw/zinc/15/92/52/652159252.db2.gz BTPAXGGGGWVMKL-UHFFFAOYSA-N 1 0 398.257 1.433 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000591297699 652159743 /nfs/dbraw/zinc/15/97/43/652159743.db2.gz RXRJXVITGMTTFI-UHFFFAOYSA-N 1 0 395.628 1.690 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000591304880 652161234 /nfs/dbraw/zinc/16/12/34/652161234.db2.gz NTALCLOHNIRIAL-LURJTMIESA-N 1 0 381.601 1.347 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCc1ccc(Br)cc1F ZINC000592547884 652193589 /nfs/dbraw/zinc/19/35/89/652193589.db2.gz BCLDWFBHPIQSLJ-AWEZNQCLSA-N 1 0 387.249 1.884 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000592556696 652195555 /nfs/dbraw/zinc/19/55/55/652195555.db2.gz WHZMIVBKYHFIHB-LBPRGKRZSA-N 1 0 381.230 1.303 20 0 GDADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050771 652209252 /nfs/dbraw/zinc/20/92/52/652209252.db2.gz ITXSSIKRRGEDLE-INIZCTEOSA-N 1 0 388.295 1.913 20 0 GDADRO C[NH+](C)CCN1CCN(CC[S@](=O)c2cc(Cl)ccc2Cl)CC1=O ZINC000593050823 652209302 /nfs/dbraw/zinc/20/93/02/652209302.db2.gz JILSADODXXUSSH-DEOSSOPVSA-N 1 0 392.352 1.807 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593732070 652245405 /nfs/dbraw/zinc/24/54/05/652245405.db2.gz ITDNFLDKKUPKRS-UPJWGTAASA-N 1 0 388.511 1.584 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000593734576 652245720 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C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)COc1ccc(Br)cn1 ZINC000632025836 653291646 /nfs/dbraw/zinc/29/16/46/653291646.db2.gz RQQAVEYFHUXOLL-KFWWJZLASA-N 1 0 398.301 1.933 20 0 GDADRO CCN1C[C@H](S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1=O ZINC000632027756 653292064 /nfs/dbraw/zinc/29/20/64/653292064.db2.gz MNEQRKZJROHIPX-VBQJREDUSA-N 1 0 385.555 1.671 20 0 GDADRO Cn1c2ccc(S(=O)(=O)NC[C@]3([NH+](C)C)CCSC3)cc2sc1=O ZINC000632066858 653299390 /nfs/dbraw/zinc/29/93/90/653299390.db2.gz RZJUDQVNHYHJHS-OAHLLOKOSA-N 1 0 387.552 1.316 20 0 GDADRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2Br)C[N@@H+]1C1CC1 ZINC000632087886 653303290 /nfs/dbraw/zinc/30/32/90/653303290.db2.gz JZOIUVKVDDXREW-DTWKUNHWSA-N 1 0 380.333 1.950 20 0 GDADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)C2CCC(C)CC2)CC1 ZINC000632333418 653338803 /nfs/dbraw/zinc/33/88/03/653338803.db2.gz VEWWYFVZMMKKEK-UHFFFAOYSA-N 1 0 376.563 1.954 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000632337427 653340069 /nfs/dbraw/zinc/34/00/69/653340069.db2.gz OTFQHNPBLFTJOK-QMMMGPOBSA-N 1 0 376.280 1.029 20 0 GDADRO CC(F)(F)CCS(=O)(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000632458455 653361690 /nfs/dbraw/zinc/36/16/90/653361690.db2.gz HQKFQTKUHBSSEO-UHFFFAOYSA-N 1 0 376.469 1.978 20 0 GDADRO CN1CC[C@H](N2CCC(NS(=O)(=O)c3cccc(Cl)c3F)CC2)C1=O ZINC000632490779 653362527 /nfs/dbraw/zinc/36/25/27/653362527.db2.gz QMDLCTOPNOZYCX-ZDUSSCGKSA-N 1 0 389.880 1.453 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)c2nccn2c1 ZINC000632526984 653371509 /nfs/dbraw/zinc/37/15/09/653371509.db2.gz IUHFORBDJHOVDD-ZDUSSCGKSA-N 1 0 394.317 1.853 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000632949934 653416301 /nfs/dbraw/zinc/41/63/01/653416301.db2.gz HEXVRHIXFDKWDZ-SNVBAGLBSA-N 1 0 379.262 1.715 20 0 GDADRO CC(C)Oc1cc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)ccc1Br ZINC000633026024 653421223 /nfs/dbraw/zinc/42/12/23/653421223.db2.gz RQAUMQKLKSDNOP-RYUDHWBXSA-N 1 0 382.258 1.748 20 0 GDADRO O=C(Nc1cccc2cc(Br)cnc21)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633031587 653422098 /nfs/dbraw/zinc/42/20/98/653422098.db2.gz OVFYXQJOMIFSEL-BETUJISGSA-N 1 0 389.253 1.899 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000633036694 653422525 /nfs/dbraw/zinc/42/25/25/653422525.db2.gz KDWOUAQKKNJXDP-APPZFPTMSA-N 1 0 390.665 1.998 20 0 GDADRO Cc1nc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)ccc1Br ZINC000633047234 653423830 /nfs/dbraw/zinc/42/38/30/653423830.db2.gz ZJFVWTHFLIYRBA-NSHDSACASA-N 1 0 383.290 1.985 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1F ZINC000633102681 653427641 /nfs/dbraw/zinc/42/76/41/653427641.db2.gz KKDLITQRTKBMGF-CYBMUJFWSA-N 1 0 386.265 1.757 20 0 GDADRO O=C(c1cc(Br)c2nccn2c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000633650501 653459664 /nfs/dbraw/zinc/45/96/64/653459664.db2.gz QJZNCILWSNYEET-AWEZNQCLSA-N 1 0 393.285 1.768 20 0 GDADRO O=C(COc1ccc(Br)cn1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000633651303 653459695 /nfs/dbraw/zinc/45/96/95/653459695.db2.gz ZHIWUINCIADBKD-AWEZNQCLSA-N 1 0 384.274 1.281 20 0 GDADRO CN(CC(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000633775669 653470474 /nfs/dbraw/zinc/47/04/74/653470474.db2.gz TYTUXFLWVCYVDW-ZDUSSCGKSA-N 1 0 381.420 1.316 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000633979270 653481618 /nfs/dbraw/zinc/48/16/18/653481618.db2.gz VLPAUSMPJDDIJC-UHFFFAOYSA-N 1 0 393.289 1.259 20 0 GDADRO O=C(NC[C@@H](n1cncn1)C(F)(F)F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000633986254 653482398 /nfs/dbraw/zinc/48/23/98/653482398.db2.gz DIPMJZKNZYWDJJ-CHWSQXEVSA-N 1 0 377.436 1.715 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)NCc1ccc(Br)c(F)c1F ZINC000637423228 653528227 /nfs/dbraw/zinc/52/82/27/653528227.db2.gz MWATXRJUWXMAIF-UHFFFAOYSA-N 1 0 380.233 1.841 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC000637941886 653532448 /nfs/dbraw/zinc/53/24/48/653532448.db2.gz HVUJXJOYYJDHBN-UHFFFAOYSA-N 1 0 379.404 1.225 20 0 GDADRO COC[C@]1(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CCCC[NH2+]1 ZINC000637959439 653533110 /nfs/dbraw/zinc/53/31/10/653533110.db2.gz FFNDMQOMHHYNHW-KRWDZBQOSA-N 1 0 399.285 1.995 20 0 GDADRO [NH3+][C@@H]1CC=C(C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000637969821 653533751 /nfs/dbraw/zinc/53/37/51/653533751.db2.gz JNKRELCNKQUBHB-GFCCVEGCSA-N 1 0 389.930 1.672 20 0 GDADRO CCC(CC)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)s1)N1CCOCC1 ZINC000638349981 653538504 /nfs/dbraw/zinc/53/85/04/653538504.db2.gz YAVPXDACCAEHLF-OAHLLOKOSA-N 1 0 375.560 1.622 20 0 GDADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 ZINC000638351059 653538836 /nfs/dbraw/zinc/53/88/36/653538836.db2.gz CKVZQGZBKATJQG-YNEHKIRRSA-N 1 0 382.448 1.446 20 0 GDADRO [NH3+]C1(CNC(=O)CCNC(=O)c2ccc(Br)cc2)CCOCC1 ZINC000638534771 653538998 /nfs/dbraw/zinc/53/89/98/653538998.db2.gz HCEONMHRQRZLSA-UHFFFAOYSA-N 1 0 384.274 1.193 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)CC[C@H]1C(F)(F)F ZINC000638558329 653539855 /nfs/dbraw/zinc/53/98/55/653539855.db2.gz OWQBQFTZYIFTEN-WDEREUQCSA-N 1 0 399.460 1.402 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000638581668 653540696 /nfs/dbraw/zinc/54/06/96/653540696.db2.gz MMGIMSUIYJJTGJ-OAHLLOKOSA-N 1 0 388.295 1.950 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000638594962 653541136 /nfs/dbraw/zinc/54/11/36/653541136.db2.gz WLHXCHQIDQUSMN-CABCVRRESA-N 1 0 386.290 1.616 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000638643277 653541554 /nfs/dbraw/zinc/54/15/54/653541554.db2.gz JHPHBWJBSWOYKL-NXEZZACHSA-N 1 0 380.297 1.528 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC000638656077 653542194 /nfs/dbraw/zinc/54/21/94/653542194.db2.gz JUKXMCKKZSANLB-PWSUYJOCSA-N 1 0 379.404 1.240 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000638769617 653543111 /nfs/dbraw/zinc/54/31/11/653543111.db2.gz RFIJPQILBKQWSO-GXFFZTMASA-N 1 0 389.315 1.868 20 0 GDADRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000638772554 653543276 /nfs/dbraw/zinc/54/32/76/653543276.db2.gz UGEWHBITGWYTBO-WDEREUQCSA-N 1 0 379.935 1.717 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638796611 653543683 /nfs/dbraw/zinc/54/36/83/653543683.db2.gz GHGMZSAHPGEJKE-GFCCVEGCSA-N 1 0 388.291 1.005 20 0 GDADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000638827457 653544407 /nfs/dbraw/zinc/54/44/07/653544407.db2.gz LFVCUIDJCDPAOF-ZFWWWQNUSA-N 1 0 378.300 1.471 20 0 GDADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cnn2cc(Br)cnc12 ZINC000639085132 653545961 /nfs/dbraw/zinc/54/59/61/653545961.db2.gz UPKRPFWYEKHMLM-LBPRGKRZSA-N 1 0 382.306 1.769 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639086974 653545975 /nfs/dbraw/zinc/54/59/75/653545975.db2.gz BNWKTCSIJLVZHI-LSDHHAIUSA-N 1 0 390.347 1.723 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC(=O)N1Cc1ccccc1 ZINC000639135448 653547255 /nfs/dbraw/zinc/54/72/55/653547255.db2.gz JDIPPDBOALEJMG-SWLSCSKDSA-N 1 0 379.507 1.675 20 0 GDADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000639160069 653547401 /nfs/dbraw/zinc/54/74/01/653547401.db2.gz AILAEAJHAXZCFP-IUODEOHRSA-N 1 0 380.290 1.787 20 0 GDADRO CO[C@H](C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C)[C@H]1CCOC1 ZINC000639165288 653547686 /nfs/dbraw/zinc/54/76/86/653547686.db2.gz FZIQHSDRJJQTJK-DZGCQCFKSA-N 1 0 376.906 1.568 20 0 GDADRO C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)CC1=CCCOC1 ZINC000639317695 653549918 /nfs/dbraw/zinc/54/99/18/653549918.db2.gz SFWMIXRRPSTTPE-UHFFFAOYSA-N 1 0 375.288 1.875 20 0 GDADRO CN1CC(=O)N(CC[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)C1=O ZINC000639777824 653553796 /nfs/dbraw/zinc/55/37/96/653553796.db2.gz YBFHEYAYOBUVBY-LBPRGKRZSA-N 1 0 383.246 1.191 20 0 GDADRO CN(CCC[NH3+])Cc1cn(Cc2cn3cc(Br)ccc3n2)nn1 ZINC000640957212 653561308 /nfs/dbraw/zinc/56/13/08/653561308.db2.gz ALGJVDKBQDRUJU-UHFFFAOYSA-N 1 0 378.278 1.517 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(CC(=O)NCCc2cccc(Cl)c2Cl)nn1 ZINC000640981958 653561776 /nfs/dbraw/zinc/56/17/76/653561776.db2.gz DCWLWRFRTLNOBF-LBPRGKRZSA-N 1 0 386.283 1.460 20 0 GDADRO COc1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)c(Br)c1OC ZINC000640989015 653561910 /nfs/dbraw/zinc/56/19/10/653561910.db2.gz HMACVTWQPRBMPG-UHFFFAOYSA-N 1 0 396.289 1.511 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(C[C@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000641200506 653562826 /nfs/dbraw/zinc/56/28/26/653562826.db2.gz BETWGDIVBQYKNK-AAEUAGOBSA-N 1 0 389.283 1.931 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)NCCCN2CCC[N@H+](C)CC2)c1 ZINC000641649718 653574099 /nfs/dbraw/zinc/57/40/99/653574099.db2.gz DNEIJCWSRAZMOB-UHFFFAOYSA-N 1 0 389.949 1.792 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000641650797 653574225 /nfs/dbraw/zinc/57/42/25/653574225.db2.gz VSIGSWONYDKDKZ-UHFFFAOYSA-N 1 0 377.913 1.926 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642105593 653576936 /nfs/dbraw/zinc/57/69/36/653576936.db2.gz JWBLEZMAFPDQKO-SWLSCSKDSA-N 1 0 382.302 1.755 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642105613 653577063 /nfs/dbraw/zinc/57/70/63/653577063.db2.gz TWLQJEXCQNODAU-TYNCELHUSA-N 1 0 398.301 1.071 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642114833 653577103 /nfs/dbraw/zinc/57/71/03/653577103.db2.gz JPPPMMUVEPYDAN-BXUZGUMPSA-N 1 0 384.249 1.415 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000642114937 653577117 /nfs/dbraw/zinc/57/71/17/653577117.db2.gz WADZYPLUKCQDBT-FZMZJTMJSA-N 1 0 386.265 1.790 20 0 GDADRO O=C(NCc1ccc(Br)cc1Cl)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642541014 653578589 /nfs/dbraw/zinc/57/85/89/653578589.db2.gz VAQIZTKIIPRFHQ-GFCCVEGCSA-N 1 0 388.693 1.977 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642640840 653579004 /nfs/dbraw/zinc/57/90/04/653579004.db2.gz BBWLSKORJGIKCK-WFASDCNBSA-N 1 0 380.286 1.584 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000642643801 653579022 /nfs/dbraw/zinc/57/90/22/653579022.db2.gz MAGSSBQCODSFNH-SSDOTTSWSA-N 1 0 382.180 1.548 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000642780812 653579365 /nfs/dbraw/zinc/57/93/65/653579365.db2.gz UMFWZVNZVYTKRF-IUCAKERBSA-N 1 0 377.329 1.738 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000642808432 653579449 /nfs/dbraw/zinc/57/94/49/653579449.db2.gz OZBPHDFDHXGYHF-NSHDSACASA-N 1 0 387.311 1.537 20 0 GDADRO Cc1nc(-c2ccc(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]C3)s2)cs1 ZINC000642901317 653579585 /nfs/dbraw/zinc/57/95/85/653579585.db2.gz ZXXHHSFMFOJVLC-LBPRGKRZSA-N 1 0 378.523 1.912 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 ZINC000642910445 653579767 /nfs/dbraw/zinc/57/97/67/653579767.db2.gz GJIXZZZNYPWJRM-SKDRFNHKSA-N 1 0 386.315 1.908 20 0 GDADRO O=C(C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643521317 653583312 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COc1ccc(CCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1Br ZINC000646119183 653608880 /nfs/dbraw/zinc/60/88/80/653608880.db2.gz NGSDKCDRFDSBOJ-HNNXBMFYSA-N 1 0 396.329 1.896 20 0 GDADRO O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646340366 653609642 /nfs/dbraw/zinc/60/96/42/653609642.db2.gz DZXOQJJPADTJLV-KKUMJFAQSA-N 1 0 383.539 1.502 20 0 GDADRO O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646345265 653609768 /nfs/dbraw/zinc/60/97/68/653609768.db2.gz PHXLFNSPQJEHPS-KBPBESRZSA-N 1 0 383.539 1.747 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000646440117 653610283 /nfs/dbraw/zinc/61/02/83/653610283.db2.gz PLBIHASQBOMHON-KBPBESRZSA-N 1 0 394.273 1.427 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)COc3ccc(Br)cc3)C2)CC1 ZINC000646460098 653610357 /nfs/dbraw/zinc/61/03/57/653610357.db2.gz AVNGOMDCPXLVPV-UHFFFAOYSA-N 1 0 382.302 1.534 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1ccsc1 ZINC000646669453 653612262 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380.242 1.652 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1F ZINC000647201183 653623137 /nfs/dbraw/zinc/62/31/37/653623137.db2.gz CFQKSMPKZSRPPH-LBPRGKRZSA-N 1 0 393.506 1.396 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(C)cc1Br ZINC000647233849 653623759 /nfs/dbraw/zinc/62/37/59/653623759.db2.gz FYYXSMIVFAYPRW-WCQYABFASA-N 1 0 377.304 1.803 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000647234924 653624115 /nfs/dbraw/zinc/62/41/15/653624115.db2.gz FALMTXKCYQMIFG-WCBMZHEXSA-N 1 0 383.695 1.839 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000647240806 653624293 /nfs/dbraw/zinc/62/42/93/653624293.db2.gz PNVALTCOESUEMI-YIONKMFJSA-N 1 0 386.539 1.774 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1F ZINC000647254431 653624373 /nfs/dbraw/zinc/62/43/73/653624373.db2.gz MUPXGLDRCGRAPO-UHFFFAOYSA-N 1 0 393.506 1.478 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000647254659 653624403 /nfs/dbraw/zinc/62/44/03/653624403.db2.gz HVGXFRTZERDSSJ-UHFFFAOYSA-N 1 0 389.543 1.219 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1OC ZINC000647264923 653624819 /nfs/dbraw/zinc/62/48/19/653624819.db2.gz ZFVYFRIIKIXSBJ-ZWNOBZJWSA-N 1 0 387.889 1.081 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000647285749 653625150 /nfs/dbraw/zinc/62/51/50/653625150.db2.gz PTGIQPIYHWDKAL-LLVKDONJSA-N 1 0 375.878 1.727 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647303936 653625713 /nfs/dbraw/zinc/62/57/13/653625713.db2.gz QFHXTVNKRJSVLJ-OAHLLOKOSA-N 1 0 387.889 1.727 20 0 GDADRO CSc1ccc([C@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)[NH+](C)C)cc1 ZINC000647580770 653629129 /nfs/dbraw/zinc/62/91/29/653629129.db2.gz LJVIJUJRYQKQDN-HOTGVXAUSA-N 1 0 385.555 1.551 20 0 GDADRO O=C(NCc1cc(Cl)ccc1Br)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000647595605 653629684 /nfs/dbraw/zinc/62/96/84/653629684.db2.gz UWOFRZWDUSCNKM-LBPRGKRZSA-N 1 0 388.693 1.977 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)N(C1CC1)C1CC[NH2+]CC1 ZINC000647644509 653631918 /nfs/dbraw/zinc/63/19/18/653631918.db2.gz YNKJUYXNJWZAHU-UHFFFAOYSA-N 1 0 385.917 1.751 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000647651127 653632281 /nfs/dbraw/zinc/63/22/81/653632281.db2.gz AIQBMCAZMYEHMH-LLVKDONJSA-N 1 0 379.935 1.623 20 0 GDADRO COc1cc(Br)ccc1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000647825666 653635526 /nfs/dbraw/zinc/63/55/26/653635526.db2.gz BTVHFWLHPMKYQF-UHFFFAOYSA-N 1 0 382.302 1.777 20 0 GDADRO CN(CCC[NH3+])C(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000647829631 653635531 /nfs/dbraw/zinc/63/55/31/653635531.db2.gz FGMBOEONMAGQRJ-UHFFFAOYSA-N 1 0 381.420 1.571 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000648041703 653637637 /nfs/dbraw/zinc/63/76/37/653637637.db2.gz AIXKYMBGBDDGTO-YUELXQCFSA-N 1 0 378.270 1.484 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648175452 653640683 /nfs/dbraw/zinc/64/06/83/653640683.db2.gz XZMPEOLPVMLJOU-JSGCOSHPSA-N 1 0 375.441 1.105 20 0 GDADRO C[C@@H](CC(=O)NCCCC[NH+]1CCN(C)CC1)n1cc(Br)cn1 ZINC000648732938 653653644 /nfs/dbraw/zinc/65/36/44/653653644.db2.gz WOOCBGNQEZCAEU-AWEZNQCLSA-N 1 0 386.338 1.741 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1ccc(Br)cc1O ZINC000649071641 653663283 /nfs/dbraw/zinc/66/32/83/653663283.db2.gz OIPDSDXSZWVWAV-NSHDSACASA-N 1 0 384.274 1.276 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000649071646 653663295 /nfs/dbraw/zinc/66/32/95/653663295.db2.gz OKXBGUUGRZYWLV-JTQLQIEISA-N 1 0 381.889 1.984 20 0 GDADRO COc1cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)sc1Br ZINC000649072458 653663374 /nfs/dbraw/zinc/66/33/74/653663374.db2.gz DORLDQQDPSFNEN-VIFPVBQESA-N 1 0 390.303 1.711 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(F)c(F)cc1Br ZINC000649073535 653663584 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C[NH+]1CCN(c2cc(CNC(=O)c3nscc3Br)ccn2)CC1 ZINC000651117719 653811607 /nfs/dbraw/zinc/81/16/07/653811607.db2.gz RLSBSFBUYIDZCG-UHFFFAOYSA-N 1 0 396.314 1.982 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000651267195 653817357 /nfs/dbraw/zinc/81/73/57/653817357.db2.gz WIKZJJDDXCKTTM-OTVXOJSOSA-N 1 0 397.317 1.786 20 0 GDADRO CC(C)C[C@H](NC(=O)c1nscc1Br)C(=O)NCC[NH+](C)C ZINC000651593551 653836347 /nfs/dbraw/zinc/83/63/47/653836347.db2.gz OIGLRHFYNVDQNN-NSHDSACASA-N 1 0 391.335 1.728 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)Cc2ccc(C(F)F)cc2)CC1=O ZINC000651793822 653857009 /nfs/dbraw/zinc/85/70/09/653857009.db2.gz NEBAPQNCOQTZIA-UHFFFAOYSA-N 1 0 375.441 1.160 20 0 GDADRO C[NH+](C)CCN1CCN(Cc2cnc3ccc(Br)cn23)CC1=O ZINC000651890442 653867556 /nfs/dbraw/zinc/86/75/56/653867556.db2.gz BUJITWZUDFEWDN-UHFFFAOYSA-N 1 0 380.290 1.303 20 0 GDADRO COc1sc(CN2CCN(CC[NH+](C)C)C(=O)C2)cc1Br ZINC000651891330 653867660 /nfs/dbraw/zinc/86/76/60/653867660.db2.gz 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ZINC000652672646 653895909 /nfs/dbraw/zinc/89/59/09/653895909.db2.gz QNUKSKWTHVJBKD-UHFFFAOYSA-N 1 0 382.302 1.614 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652680710 653896725 /nfs/dbraw/zinc/89/67/25/653896725.db2.gz NTWMWTZQZRJLAX-UHFFFAOYSA-N 1 0 382.302 1.927 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000653061188 653904741 /nfs/dbraw/zinc/90/47/41/653904741.db2.gz FEYVAGLJSNUVRJ-CQSZACIVSA-N 1 0 380.290 1.911 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000653072805 653904988 /nfs/dbraw/zinc/90/49/88/653904988.db2.gz GHZJKCXBODBKPQ-CQSZACIVSA-N 1 0 380.290 1.911 20 0 GDADRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000653070681 653905049 /nfs/dbraw/zinc/90/50/49/653905049.db2.gz GDLDXRXDMBZZNF-CABCVRRESA-N 1 0 383.539 1.548 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116794 653906504 /nfs/dbraw/zinc/90/65/04/653906504.db2.gz UIYHJTDYPVPOGQ-CHWSQXEVSA-N 1 0 381.274 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653947495 /nfs/dbraw/zinc/94/74/95/653947495.db2.gz MZPZVISKIFEDTC-NSHDSACASA-N 1 0 375.288 1.420 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1cncc(Br)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654885731 653950183 /nfs/dbraw/zinc/95/01/83/653950183.db2.gz SJVYVGYHZMFKGD-UTUOFQBUSA-N 1 0 399.289 1.397 20 0 GDADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000654906912 653950715 /nfs/dbraw/zinc/95/07/15/653950715.db2.gz HDZKDBLTPUVSCK-WDEREUQCSA-N 1 0 388.251 1.218 20 0 GDADRO NS(=O)(=O)c1ccc(O)c(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000654979234 653953576 /nfs/dbraw/zinc/95/35/76/653953576.db2.gz RUEWTNPKFXPIAN-GFCCVEGCSA-N 1 0 385.511 1.196 20 0 GDADRO COc1cc(Br)c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1OC ZINC000655294265 653963407 /nfs/dbraw/zinc/96/34/07/653963407.db2.gz RBPWHHHRIFTROT-WDEREUQCSA-N 1 0 385.258 1.357 20 0 GDADRO Cc1ccc(OCCC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(Br)c1 ZINC000655298269 653963759 /nfs/dbraw/zinc/96/37/59/653963759.db2.gz BYTOSVIEGQWPOO-UONOGXRCSA-N 1 0 383.286 1.804 20 0 GDADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295141 653963901 /nfs/dbraw/zinc/96/39/01/653963901.db2.gz UCQAUZBJZZQRKI-LSDHHAIUSA-N 1 0 386.901 1.171 20 0 GDADRO O=C(CCCOc1ccccc1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299762 653964235 /nfs/dbraw/zinc/96/42/35/653964235.db2.gz PRIZNAXBKXFWER-UONOGXRCSA-N 1 0 383.286 1.886 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CCOc3cccc(Br)c3C2)CC1 ZINC000655319830 653965143 /nfs/dbraw/zinc/96/51/43/653965143.db2.gz YVRQBCLDADCUHZ-UHFFFAOYSA-N 1 0 382.302 1.808 20 0 GDADRO CSc1cc(Br)ccc1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000655413240 653969177 /nfs/dbraw/zinc/96/91/77/653969177.db2.gz QIGNPWGPPNAHGF-UHFFFAOYSA-N 1 0 386.315 1.675 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)s1 ZINC000655422977 653969220 /nfs/dbraw/zinc/96/92/20/653969220.db2.gz PRKJASRGNSWQIU-YOEHRIQHSA-N 1 0 385.555 1.785 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447237 653969897 /nfs/dbraw/zinc/96/98/97/653969897.db2.gz OAEZOZZRJYXBJY-MLGOLLRUSA-N 1 0 381.274 1.631 20 0 GDADRO COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1=O ZINC000655507108 653972106 /nfs/dbraw/zinc/97/21/06/653972106.db2.gz ITDSWJNYERTRMG-PRHODGIISA-N 1 0 379.766 1.707 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655509117 653972633 /nfs/dbraw/zinc/97/26/33/653972633.db2.gz KCQLJTHTSSOTGJ-CAHLUQPWSA-N 1 0 388.209 1.635 20 0 GDADRO COCCN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000655617754 653980668 /nfs/dbraw/zinc/98/06/68/653980668.db2.gz YBSMAZICYYOYBY-AWEZNQCLSA-N 1 0 384.420 1.309 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655670237 653987860 /nfs/dbraw/zinc/98/78/60/653987860.db2.gz WYBWTVXNHKMXEY-DLBZAZTESA-N 1 0 386.539 1.526 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)C(F)(F)F ZINC000655913783 653993482 /nfs/dbraw/zinc/99/34/82/653993482.db2.gz IZWAYWQUVWMQCD-GMSGAONNSA-N 1 0 390.189 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654031965 /nfs/dbraw/zinc/03/19/65/654031965.db2.gz SHXDTSHYBKJUCS-ZBEGNZNMSA-N 1 0 382.258 1.965 20 0 GDADRO O=S(=O)(c1ncccc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656865450 654058243 /nfs/dbraw/zinc/05/82/43/654058243.db2.gz HXCZGYHBFYNIFM-UHFFFAOYSA-N 1 0 383.271 1.750 20 0 GDADRO COC1CCN(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000656923863 654073163 /nfs/dbraw/zinc/07/31/63/654073163.db2.gz BDNSBDRBIKJVEV-INIZCTEOSA-N 1 0 375.922 1.888 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000657034570 654104706 /nfs/dbraw/zinc/10/47/06/654104706.db2.gz STBDARIBGSRCAL-AWEZNQCLSA-N 1 0 388.555 1.879 20 0 GDADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000657465004 654149862 /nfs/dbraw/zinc/14/98/62/654149862.db2.gz DWBDLZAYYWGTDX-CYBMUJFWSA-N 1 0 391.335 1.513 20 0 GDADRO O=C(Nc1cccc(Br)c1F)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000657680423 654155682 /nfs/dbraw/zinc/15/56/82/654155682.db2.gz IUSCDHHTYZJZKE-NSHDSACASA-N 1 0 382.233 1.999 20 0 GDADRO CSc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000657983334 654175283 /nfs/dbraw/zinc/17/52/83/654175283.db2.gz SIFUEZGZJOBBHG-CYBMUJFWSA-N 1 0 385.917 1.963 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)Cn1cncn1 ZINC000658032465 654179427 /nfs/dbraw/zinc/17/94/27/654179427.db2.gz SKASIGQTSCQCHX-STQMWFEESA-N 1 0 383.290 1.879 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1Br ZINC000658333909 654185384 /nfs/dbraw/zinc/18/53/84/654185384.db2.gz VIKQZYLCRJDWTI-ZDUSSCGKSA-N 1 0 399.333 1.776 20 0 GDADRO CCN(C(=O)C(=O)N1CCc2ccc(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000658363459 654185695 /nfs/dbraw/zinc/18/56/95/654185695.db2.gz VUWBSCJRKDLHJI-AWEZNQCLSA-N 1 0 380.286 1.891 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CCO1 ZINC000658372436 654186289 /nfs/dbraw/zinc/18/62/89/654186289.db2.gz JTKJMTRWFJEKLE-GZMMTYOYSA-N 1 0 388.795 1.975 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2C1 ZINC000658375845 654186750 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ZINC000659357778 654223986 /nfs/dbraw/zinc/22/39/86/654223986.db2.gz MMUUPKCDXRWXRC-UHFFFAOYSA-N 1 0 382.302 1.866 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)nn1 ZINC000659358230 654224146 /nfs/dbraw/zinc/22/41/46/654224146.db2.gz GJCQZFFAIOLKLB-HNNXBMFYSA-N 1 0 394.273 1.603 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC[C@H]1F ZINC000659389052 654224452 /nfs/dbraw/zinc/22/44/52/654224452.db2.gz INIIULVGISWUGZ-RAIGVLPGSA-N 1 0 384.249 1.700 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659524489 654228138 /nfs/dbraw/zinc/22/81/38/654228138.db2.gz SVOFITJOOLBWOU-GFCCVEGCSA-N 1 0 386.294 1.391 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCNC(=O)c2ccc(Br)cn2)C1 ZINC000659555225 654229333 /nfs/dbraw/zinc/22/93/33/654229333.db2.gz PEHRBMYWWRKFBX-JQWIXIFHSA-N 1 0 384.278 1.001 20 0 GDADRO C[C@H]1CN(CC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)C[C@H](C)O1 ZINC000659818653 654234126 /nfs/dbraw/zinc/23/41/26/654234126.db2.gz SWMJPTKRFAIZKM-GJZGRUSLSA-N 1 0 387.571 1.600 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(C(F)(F)F)n1 ZINC000660155140 654241882 /nfs/dbraw/zinc/24/18/82/654241882.db2.gz GHPZZNGWMSRGEF-LLVKDONJSA-N 1 0 384.424 1.170 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ncccc2C(F)(F)F)CCO1 ZINC000660155102 654241905 /nfs/dbraw/zinc/24/19/05/654241905.db2.gz FSDHXNDWPBBPKG-GFCCVEGCSA-N 1 0 381.420 1.832 20 0 GDADRO C[C@H](COC1CCCC1)CS(=O)(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000660158485 654242302 /nfs/dbraw/zinc/24/23/02/654242302.db2.gz UXDAARGKSHULJH-SJLPKXTDSA-N 1 0 376.563 1.954 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000660399153 654248853 /nfs/dbraw/zinc/24/88/53/654248853.db2.gz HJHYQJNZODNMST-GFCCVEGCSA-N 1 0 381.468 1.770 20 0 GDADRO [NH3+]CCN(Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H](O)CO ZINC000662288555 654292082 /nfs/dbraw/zinc/29/20/82/654292082.db2.gz PVIVQRHVUQDRFZ-OAHLLOKOSA-N 1 0 381.274 1.020 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N(C)CC(C)(C)[NH3+] ZINC000662296698 654292479 /nfs/dbraw/zinc/29/24/79/654292479.db2.gz FHDCPHMSWDFPJM-NSHDSACASA-N 1 0 390.937 1.586 20 0 GDADRO Cc1c(Cl)cccc1NC(=O)CNC(=O)CN(C)[C@H](C[NH3+])C(F)(F)F ZINC000662329698 654292933 /nfs/dbraw/zinc/29/29/33/654292933.db2.gz LXVKYDYROFAPQI-GFCCVEGCSA-N 1 0 380.798 1.525 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](N)c3ccccc3Br)CC2)C1 ZINC000662461888 654294147 /nfs/dbraw/zinc/29/41/47/654294147.db2.gz FKATZLKZDQUCMB-PBHICJAKSA-N 1 0 395.345 1.687 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1sc2c(c1Br)CNC2 ZINC000662474879 654295190 /nfs/dbraw/zinc/29/51/90/654295190.db2.gz FCYSKQYVNDNWMZ-UHFFFAOYSA-N 1 0 376.320 1.812 20 0 GDADRO Cn1cc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)cc(Br)c1=O ZINC000662496143 654297503 /nfs/dbraw/zinc/29/75/03/654297503.db2.gz BNRWMCYRRLXTND-UHFFFAOYSA-N 1 0 381.230 1.855 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000662696444 654300607 /nfs/dbraw/zinc/30/06/07/654300607.db2.gz KDDANGHZISULDY-KCXAZCMYSA-N 1 0 382.302 1.755 20 0 GDADRO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000662816255 654303037 /nfs/dbraw/zinc/30/30/37/654303037.db2.gz YMUMSHCWEYLUFQ-CQSZACIVSA-N 1 0 386.543 1.655 20 0 GDADRO O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc2c(s1)CC[NH2+]C2 ZINC000662819850 654304074 /nfs/dbraw/zinc/30/40/74/654304074.db2.gz LCWMUFPIXKNTEQ-GFCCVEGCSA-N 1 0 378.475 1.359 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662840575 654305013 /nfs/dbraw/zinc/30/50/13/654305013.db2.gz CRLDYLUYQKASNF-HNNXBMFYSA-N 1 0 385.555 1.655 20 0 GDADRO C[C@@H](C(=O)N[C@]1(C)CC[NH2+]C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000663013480 654318518 /nfs/dbraw/zinc/31/85/18/654318518.db2.gz ODUNFZYVBCTEMQ-XXFAHNHDSA-N 1 0 380.242 1.302 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)ccc1F ZINC000663377370 654336168 /nfs/dbraw/zinc/33/61/68/654336168.db2.gz YQAWLMGBEXAORS-ZDUSSCGKSA-N 1 0 388.848 1.656 20 0 GDADRO C[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)Oc1ccccc1Br ZINC000664319807 654374089 /nfs/dbraw/zinc/37/40/89/654374089.db2.gz BTFTUEYHWKWQRS-XBFCOCLRSA-N 1 0 386.290 1.533 20 0 GDADRO CCC[N@H+](C)CC(C)(C)NC(=O)NCC1CCN(S(=O)(=O)CC)CC1 ZINC000664655170 654387464 /nfs/dbraw/zinc/38/74/64/654387464.db2.gz ZVHGBZVBIWOGLR-UHFFFAOYSA-N 1 0 376.567 1.468 20 0 GDADRO Cn1cc(Br)cc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1=O ZINC000666288146 654422930 /nfs/dbraw/zinc/42/29/30/654422930.db2.gz WLUYHCQLWXNVTJ-ZDUSSCGKSA-N 1 0 399.289 1.523 20 0 GDADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000666377548 654426262 /nfs/dbraw/zinc/42/62/62/654426262.db2.gz UHFDVURIYJSYJL-SNVBAGLBSA-N 1 0 379.408 1.706 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000666428187 654428347 /nfs/dbraw/zinc/42/83/47/654428347.db2.gz KEECHOAHARBKGU-GFCCVEGCSA-N 1 0 393.289 1.887 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)ccc1-n1cnnn1 ZINC000666607981 654432413 /nfs/dbraw/zinc/43/24/13/654432413.db2.gz FWOSHWNRRGEZPL-CHWSQXEVSA-N 1 0 391.273 1.781 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)ccc1-n1cnnn1 ZINC000666607983 654432605 /nfs/dbraw/zinc/43/26/05/654432605.db2.gz FWOSHWNRRGEZPL-QWHCGFSZSA-N 1 0 391.273 1.781 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)NCc1nc(C(N)=O)cs1)c1ccc(Cl)cc1 ZINC000666716677 654435624 /nfs/dbraw/zinc/43/56/24/654435624.db2.gz LIPSMDPPLVIDQM-LBPRGKRZSA-N 1 0 381.889 1.998 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000768849914 654436563 /nfs/dbraw/zinc/43/65/63/654436563.db2.gz TVNFZKFCHRCJPO-AWNIVKPZSA-N 1 0 376.906 1.513 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000667404456 654448869 /nfs/dbraw/zinc/44/88/69/654448869.db2.gz NUNBZMYGOUBAHE-ZANVPECISA-N 1 0 390.267 1.905 20 0 GDADRO CN1CCN(c2ccc(Br)cc2NC(=O)NCC[NH+](C)C)CC1=O ZINC000667422949 654449812 /nfs/dbraw/zinc/44/98/12/654449812.db2.gz CHEXSTXFEWKJPO-UHFFFAOYSA-N 1 0 398.305 1.411 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1Cl ZINC000732033943 654456971 /nfs/dbraw/zinc/45/69/71/654456971.db2.gz CDEVWZYQJWDUJP-CQSZACIVSA-N 1 0 385.917 1.899 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769838304 654486172 /nfs/dbraw/zinc/48/61/72/654486172.db2.gz HNJUOPNCZOUSIU-UHFFFAOYSA-N 1 0 396.289 1.675 20 0 GDADRO CCN(C(=O)C(=O)NCc1cc(F)cc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000668627649 654488176 /nfs/dbraw/zinc/48/81/76/654488176.db2.gz UIYZUUFRVKQZSU-CQSZACIVSA-N 1 0 386.265 1.757 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000668744262 654490860 /nfs/dbraw/zinc/49/08/60/654490860.db2.gz ZJVKYGLATCPEEJ-NSHDSACASA-N 1 0 379.262 1.449 20 0 GDADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000770217913 654503888 /nfs/dbraw/zinc/50/38/88/654503888.db2.gz WUFMUFQOVMGCLG-SDNWHVSQSA-N 1 0 392.543 1.111 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)NC[C@@H]3CCC[NH2+]3)C2=O)ccc1Br ZINC000669561543 654505971 /nfs/dbraw/zinc/50/59/71/654505971.db2.gz ZNWIFXCRCACRNQ-SWLSCSKDSA-N 1 0 395.301 1.914 20 0 GDADRO O=C(OCC[NH+]1CCCCC1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000770362126 654510023 /nfs/dbraw/zinc/51/00/23/654510023.db2.gz ZDBVYKXCPQAKCG-UHFFFAOYSA-N 1 0 387.527 1.395 20 0 GDADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccsc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000669938424 654515391 /nfs/dbraw/zinc/51/53/91/654515391.db2.gz NNHBMCVVCRBXRM-GXTWGEPZSA-N 1 0 382.511 1.902 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1Cl ZINC000733883800 654524406 /nfs/dbraw/zinc/52/44/06/654524406.db2.gz FNNMHKSIUHBFGT-GFCCVEGCSA-N 1 0 389.905 1.546 20 0 GDADRO Cc1nc(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)cs1 ZINC000670752416 654525148 /nfs/dbraw/zinc/52/51/48/654525148.db2.gz QYHQOPLCLGDQKZ-UHFFFAOYSA-N 1 0 382.555 1.546 20 0 GDADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc2nsnc21 ZINC000734243743 654531495 /nfs/dbraw/zinc/53/14/95/654531495.db2.gz NTMNQSAAXLGZEM-CYBMUJFWSA-N 1 0 382.511 1.613 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C1 ZINC000734463968 654534484 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20 0 GDADRO O=C(COc1ccc(Br)cc1F)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673516918 654576124 /nfs/dbraw/zinc/57/61/24/654576124.db2.gz TXGBMPFJNLKUGE-STQMWFEESA-N 1 0 387.249 1.635 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000673521753 654576161 /nfs/dbraw/zinc/57/61/61/654576161.db2.gz RJOKQZNDAXUMSG-SNVBAGLBSA-N 1 0 386.221 1.896 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000772946629 654576228 /nfs/dbraw/zinc/57/62/28/654576228.db2.gz ODZSFTWCDXMRTO-GFCCVEGCSA-N 1 0 382.404 1.898 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000673522295 654576431 /nfs/dbraw/zinc/57/64/31/654576431.db2.gz PLTHJLQDSDQZOD-GJZGRUSLSA-N 1 0 398.301 1.092 20 0 GDADRO CCNS(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000772974922 654577405 /nfs/dbraw/zinc/57/74/05/654577405.db2.gz CIWMEBHKEQKSQM-LLVKDONJSA-N 1 0 392.319 1.695 20 0 GDADRO CCNS(=O)(=O)CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000772980606 654577829 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C[C@H]1C[C@@H](NC(=O)C(=O)NCCSCc2ccnc(Cl)c2)CC[N@@H+]1C ZINC000806042243 655054269 /nfs/dbraw/zinc/05/42/69/655054269.db2.gz OUOCBKYQXBVNOV-JSGCOSHPSA-N 1 0 384.933 1.683 20 0 GDADRO CC(C)C[C@H](NS(=O)(=O)c1cccnc1Cl)C(=O)NCC[NH+](C)C ZINC000758424874 655059465 /nfs/dbraw/zinc/05/94/65/655059465.db2.gz TYICAJAVHQFMIC-LBPRGKRZSA-N 1 0 376.910 1.106 20 0 GDADRO CC[C@@H]1CC[C@@H]1[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000806150111 655060687 /nfs/dbraw/zinc/06/06/87/655060687.db2.gz LRKHXIMGADGQGL-CJNGLKHVSA-N 1 0 390.527 1.569 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000806607277 655069302 /nfs/dbraw/zinc/06/93/02/655069302.db2.gz ATQPTWUVSKQBEZ-CABCVRRESA-N 1 0 388.603 1.139 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000806607279 655069329 /nfs/dbraw/zinc/06/93/29/655069329.db2.gz ATQPTWUVSKQBEZ-HUUCEWRRSA-N 1 0 388.603 1.139 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccn3c(I)cnc23)C1 ZINC000834598244 655074068 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CC[NH+]1CCN(CCNC(=O)c2cccnc2I)CC1 ZINC000807434138 655083177 /nfs/dbraw/zinc/08/31/77/655083177.db2.gz UWAUJLPDIBJOMD-UHFFFAOYSA-N 1 0 388.253 1.054 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000835046149 655084239 /nfs/dbraw/zinc/08/42/39/655084239.db2.gz OESBEVVQVKUGPD-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000792145813 655086912 /nfs/dbraw/zinc/08/69/12/655086912.db2.gz OSYNMMVOAQYNJF-ZBFHGGJFSA-N 1 0 383.286 1.980 20 0 GDADRO CCn1cc([C@@H]2C[S@@](=O)CCN2C(=S)NCC2CC[NH+](C)CC2)cn1 ZINC000792691459 655097502 /nfs/dbraw/zinc/09/75/02/655097502.db2.gz NXBRJXGAGOISIZ-LMKMVOKYSA-N 1 0 383.587 1.225 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000792973592 655103669 /nfs/dbraw/zinc/10/36/69/655103669.db2.gz KJCUGCBMIKFGHD-LBPRGKRZSA-N 1 0 399.289 1.352 20 0 GDADRO C[NH+]1CCC(CNC(=S)NCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000760473718 655114713 /nfs/dbraw/zinc/11/47/13/655114713.db2.gz FPSKSFRUSORYBL-UHFFFAOYSA-N 1 0 376.592 1.044 20 0 GDADRO CN(CCCNC(=O)c1sccc1S(=O)(=O)C(F)F)CC[NH+](C)C ZINC000809190308 655124600 /nfs/dbraw/zinc/12/46/00/655124600.db2.gz DWOGEMBKZPFKPT-UHFFFAOYSA-N 1 0 383.486 1.358 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000760856746 655128245 /nfs/dbraw/zinc/12/82/45/655128245.db2.gz HXYXDPGTPOORSB-LBPRGKRZSA-N 1 0 384.889 1.672 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000809520804 655129653 /nfs/dbraw/zinc/12/96/53/655129653.db2.gz GDJIIIFILFDFEY-OWCLPIDISA-N 1 0 385.599 1.673 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ncc(C3OCCO3)s2)CC1 ZINC000809620326 655134307 /nfs/dbraw/zinc/13/43/07/655134307.db2.gz PIHYPFFRSHHYOU-UHFFFAOYSA-N 1 0 397.469 1.543 20 0 GDADRO COCC[N@@H+]1CC[C@H](N2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)C1 ZINC000761257899 655139282 /nfs/dbraw/zinc/13/92/82/655139282.db2.gz SYRDYXZFDDNSLJ-UONOGXRCSA-N 1 0 382.258 1.763 20 0 GDADRO COCC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)C1 ZINC000761257896 655139315 /nfs/dbraw/zinc/13/93/15/655139315.db2.gz SYRDYXZFDDNSLJ-KBPBESRZSA-N 1 0 382.258 1.763 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(Br)nn2C)CC1 ZINC000794342830 655141100 /nfs/dbraw/zinc/14/11/00/655141100.db2.gz GZEXXOXNCDXIRP-UHFFFAOYSA-N 1 0 380.246 1.549 20 0 GDADRO Cn1nnc(Br)c1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000794572480 655147323 /nfs/dbraw/zinc/14/73/23/655147323.db2.gz ODCISPBMHNKXHS-GFCCVEGCSA-N 1 0 380.246 1.397 20 0 GDADRO C[C@H](CCS(C)(=O)=O)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000761827968 655150206 /nfs/dbraw/zinc/15/02/06/655150206.db2.gz BILJTEKWFUMASV-OAHLLOKOSA-N 1 0 383.583 1.938 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccnc(Br)c2)C1 ZINC000836691691 655151081 /nfs/dbraw/zinc/15/10/81/655151081.db2.gz AILGFIBKJWQRDH-NSHDSACASA-N 1 0 384.278 1.553 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(Br)nc1 ZINC000810208291 655153469 /nfs/dbraw/zinc/15/34/69/655153469.db2.gz ANIRNBTVESOPIE-LLVKDONJSA-N 1 0 391.269 1.910 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(Br)nnn2C)[C@@H](C)C1 ZINC000810412030 655159775 /nfs/dbraw/zinc/15/97/75/655159775.db2.gz ZRMMYIGJBOXGIL-RYUDHWBXSA-N 1 0 388.310 1.444 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000795128749 655162810 /nfs/dbraw/zinc/16/28/10/655162810.db2.gz AVBHGZUCEHVFNB-KFWWJZLASA-N 1 0 376.592 1.043 20 0 GDADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000795134864 655163146 /nfs/dbraw/zinc/16/31/46/655163146.db2.gz GPWNJIAHYCARJB-HIFRSBDPSA-N 1 0 382.555 1.267 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)ncc1F ZINC000762761593 655176112 /nfs/dbraw/zinc/17/61/12/655176112.db2.gz JTTXKLQIOUSTRM-ZJUUUORDSA-N 1 0 380.283 1.915 20 0 GDADRO COCC[N@@H+]1CCCN(C(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837364721 655179336 /nfs/dbraw/zinc/17/93/36/655179336.db2.gz BDIUUBCRFGVKKX-UHFFFAOYSA-N 1 0 385.306 1.776 20 0 GDADRO CN(CC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl ZINC000837450226 655184019 /nfs/dbraw/zinc/18/40/19/655184019.db2.gz CYNFWVOOMRXKBM-UHFFFAOYSA-N 1 0 398.710 1.384 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c(F)cc1Cl ZINC000795853664 655191164 /nfs/dbraw/zinc/19/11/64/655191164.db2.gz CFOZHMZZLYRJPL-UHFFFAOYSA-N 1 0 394.852 1.001 20 0 GDADRO Cn1ncc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1I ZINC000838149855 655205915 /nfs/dbraw/zinc/20/59/15/655205915.db2.gz QCPHQLWDQFLVQT-JTQLQIEISA-N 1 0 376.242 1.486 20 0 GDADRO CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000796514310 655213679 /nfs/dbraw/zinc/21/36/79/655213679.db2.gz XWZAEIICOIZGJE-INIZCTEOSA-N 1 0 375.535 1.647 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000812489135 655215300 /nfs/dbraw/zinc/21/53/00/655215300.db2.gz TZDMOABKAWIPNC-GJZGRUSLSA-N 1 0 397.269 1.829 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000838462525 655217296 /nfs/dbraw/zinc/21/72/96/655217296.db2.gz ILCKSESBGQNKDT-UHFFFAOYSA-N 1 0 388.456 1.187 20 0 GDADRO C[NH+](C)CCCNC(=S)NC[C@H](O)COc1ccccc1Br ZINC000764499982 655217379 /nfs/dbraw/zinc/21/73/79/655217379.db2.gz MJFRVVHMUIBBLC-LBPRGKRZSA-N 1 0 390.347 1.605 20 0 GDADRO CC[NH+](CC)CCN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764542368 655218672 /nfs/dbraw/zinc/21/86/72/655218672.db2.gz WBOWBEUXNVPZFR-CQSZACIVSA-N 1 0 391.559 1.405 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764544447 655218874 /nfs/dbraw/zinc/21/88/74/655218874.db2.gz JOFHGFRPHHMZAD-DOMZBBRYSA-N 1 0 376.500 1.242 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000765114667 655230637 /nfs/dbraw/zinc/23/06/37/655230637.db2.gz UDJRWMFEXPMPKD-UHFFFAOYSA-N 1 0 383.495 1.812 20 0 GDADRO O=CN1CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000839022449 655236777 /nfs/dbraw/zinc/23/67/77/655236777.db2.gz VAPYXVWGPOMRFL-AWEZNQCLSA-N 1 0 375.238 1.492 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839159127 655240439 /nfs/dbraw/zinc/24/04/39/655240439.db2.gz MFXFFAPNIYHECV-QGZVFWFLSA-N 1 0 376.469 1.992 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCOC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765835780 655250487 /nfs/dbraw/zinc/25/04/87/655250487.db2.gz LGMCBYZHQBDWCA-GXTWGEPZSA-N 1 0 376.500 1.242 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000839527697 655251323 /nfs/dbraw/zinc/25/13/23/655251323.db2.gz SNSOUZXVSRIPSD-SUMWQHHRSA-N 1 0 377.503 1.454 20 0 GDADRO COc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)nc1I ZINC000814145128 655257494 /nfs/dbraw/zinc/25/74/94/655257494.db2.gz LOYKBHVEFGZSKQ-GXSJLCMTSA-N 1 0 387.221 1.471 20 0 GDADRO CC[C@@H](COC)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766092788 655258527 /nfs/dbraw/zinc/25/85/27/655258527.db2.gz FPPNJRRUUZXJKB-JSGCOSHPSA-N 1 0 378.516 1.488 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839641210 655259461 /nfs/dbraw/zinc/25/94/61/655259461.db2.gz NDBIRALFJPZZOG-AWEZNQCLSA-N 1 0 379.320 1.696 20 0 GDADRO COC[C@@H]([NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C(C)C ZINC000766164129 655260528 /nfs/dbraw/zinc/26/05/28/655260528.db2.gz ZIZNCIOMTUAMMU-CZUORRHYSA-N 1 0 392.543 1.734 20 0 GDADRO CS[C@@H]1CN(C(=O)CCCCCCS(N)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000839725615 655262471 /nfs/dbraw/zinc/26/24/71/655262471.db2.gz KFNCRXICEYNENM-HUUCEWRRSA-N 1 0 377.576 1.264 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1cn2c(Br)cnc2s1 ZINC000815009149 655277285 /nfs/dbraw/zinc/27/72/85/655277285.db2.gz CETBGGUKDVOUFB-UHFFFAOYSA-N 1 0 375.292 1.856 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000798949613 655281995 /nfs/dbraw/zinc/28/19/95/655281995.db2.gz OOCJCFANXSPXTN-MRXNPFEDSA-N 1 0 376.519 1.163 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000798949612 655282072 /nfs/dbraw/zinc/28/20/72/655282072.db2.gz OOCJCFANXSPXTN-INIZCTEOSA-N 1 0 376.519 1.163 20 0 GDADRO O=C(Nc1cccc(Br)c1)C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799130451 655285401 /nfs/dbraw/zinc/28/54/01/655285401.db2.gz FHVWQTBSAFITEJ-AWEZNQCLSA-N 1 0 394.269 1.905 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cn2c(Br)cnc2s1 ZINC000815491614 655297219 /nfs/dbraw/zinc/29/72/19/655297219.db2.gz ULYHHFRIHLTBDL-SNVBAGLBSA-N 1 0 386.319 1.524 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C[C@H]1[NH+](C)C ZINC000767825138 655306178 /nfs/dbraw/zinc/30/61/78/655306178.db2.gz HBPPNCSDNXYOTB-CVEARBPZSA-N 1 0 386.539 1.572 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000841095487 655308609 /nfs/dbraw/zinc/30/86/09/655308609.db2.gz HBLCIOBKTGIVBF-LLVKDONJSA-N 1 0 381.376 1.848 20 0 GDADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C(=O)N1CCC=C(Br)C1 ZINC000841124637 655309181 /nfs/dbraw/zinc/30/91/81/655309181.db2.gz RFPGWZNRBMRDSE-UHFFFAOYSA-N 1 0 382.233 1.921 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC[NH2+]1 ZINC000841132934 655309539 /nfs/dbraw/zinc/30/95/39/655309539.db2.gz KTYDESMWLJNNPI-LLVKDONJSA-N 1 0 375.878 1.589 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC[NH2+]1 ZINC000841132935 655309668 /nfs/dbraw/zinc/30/96/68/655309668.db2.gz KTYDESMWLJNNPI-NSHDSACASA-N 1 0 375.878 1.589 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000841160868 655311160 /nfs/dbraw/zinc/31/11/60/655311160.db2.gz KBVMYJCXOKFNEO-GFCCVEGCSA-N 1 0 382.917 1.652 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841173374 655311992 /nfs/dbraw/zinc/31/19/92/655311992.db2.gz JFXXAYAFYMKRGS-ZCFIWIBFSA-N 1 0 383.168 1.607 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841190369 655313117 /nfs/dbraw/zinc/31/31/17/655313117.db2.gz OJMUFWCIMNFJKW-SNVBAGLBSA-N 1 0 398.257 1.369 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841203930 655313967 /nfs/dbraw/zinc/31/39/67/655313967.db2.gz WFKDMHBNVCKFRG-UHFFFAOYSA-N 1 0 383.168 1.479 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841226275 655315751 /nfs/dbraw/zinc/31/57/51/655315751.db2.gz ZQIUGMYROATBTM-NXEZZACHSA-N 1 0 398.257 1.545 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000841248476 655317267 /nfs/dbraw/zinc/31/72/67/655317267.db2.gz ASZVMYGOFPTYIK-UHFFFAOYSA-N 1 0 381.274 1.693 20 0 GDADRO CSc1nc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)cc2s1 ZINC000841261442 655318053 /nfs/dbraw/zinc/31/80/53/655318053.db2.gz GVJXKUSLXUSCAX-NSHDSACASA-N 1 0 380.495 1.451 20 0 GDADRO [NH3+]CC[C@H](NC(=O)N1CCN(Cc2ccc(Cl)nc2)CC1)C(F)(F)F ZINC000841336008 655319190 /nfs/dbraw/zinc/31/91/90/655319190.db2.gz ZIRRYIKWSIQUPL-LBPRGKRZSA-N 1 0 379.814 1.842 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2SCCCS2)c1 ZINC000841423483 655322807 /nfs/dbraw/zinc/32/28/07/655322807.db2.gz AKMWBUJPERQYQT-UHFFFAOYSA-N 1 0 389.568 1.661 20 0 GDADRO COc1ccc(C(=O)NOC2CC[NH+](C)CC2)nc1I ZINC000816534685 655328622 /nfs/dbraw/zinc/32/86/22/655328622.db2.gz 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C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(Br)cc2F)CC[NH2+]1 ZINC000842217193 655359497 /nfs/dbraw/zinc/35/94/97/655359497.db2.gz UNDUUPQCDQCHIH-GWCFXTLKSA-N 1 0 386.265 1.504 20 0 GDADRO O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000817839751 655360539 /nfs/dbraw/zinc/36/05/39/655360539.db2.gz QSFBYKLMFOWRTP-ILXRZTDVSA-N 1 0 376.507 1.446 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)CC[NH3+])ccc1Br ZINC000817859562 655360919 /nfs/dbraw/zinc/36/09/19/655360919.db2.gz HUZUIUFZMWFQKP-UHFFFAOYSA-N 1 0 379.276 1.641 20 0 GDADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817939004 655362654 /nfs/dbraw/zinc/36/26/54/655362654.db2.gz XJEXTXGWNIBVJK-GFCCVEGCSA-N 1 0 385.452 1.442 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000817944906 655362794 /nfs/dbraw/zinc/36/27/94/655362794.db2.gz OVPIOSNDJSYDNT-SWLSCSKDSA-N 1 0 396.285 1.299 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000817995013 655364017 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GDADRO CN(CC[NH2+]C[C@@H](O)c1ccc(F)cc1F)S(=O)(=O)c1cccs1 ZINC000819179803 655387586 /nfs/dbraw/zinc/38/75/86/655387586.db2.gz HHRGJZLOZPQWGU-CQSZACIVSA-N 1 0 376.450 1.970 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1 ZINC000819308218 655389541 /nfs/dbraw/zinc/38/95/41/655389541.db2.gz OOYZPKABOICHFZ-OAHLLOKOSA-N 1 0 375.512 1.071 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000843260281 655390161 /nfs/dbraw/zinc/39/01/61/655390161.db2.gz DBDDPYRNALLCKY-YWPYICTPSA-N 1 0 398.301 1.591 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)COCc1ccccc1Cl)C1CCOCC1 ZINC000819348939 655390388 /nfs/dbraw/zinc/39/03/88/655390388.db2.gz GNVTVQWEGHNMBN-OAHLLOKOSA-N 1 0 391.917 1.401 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]CCCCS(C)(=O)=O)CC1 ZINC000819382626 655390814 /nfs/dbraw/zinc/39/08/14/655390814.db2.gz PHSUNMNJCYTAKC-OAHLLOKOSA-N 1 0 378.535 1.409 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)C1 ZINC000843288531 655390826 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Cc1ccc(Br)c(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000820441547 655409948 /nfs/dbraw/zinc/40/99/48/655409948.db2.gz KKOJOKCUTFMLMU-UHFFFAOYSA-N 1 0 397.317 1.875 20 0 GDADRO COc1cc(Br)cc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c1 ZINC000820495150 655410806 /nfs/dbraw/zinc/41/08/06/655410806.db2.gz MYPXAOJCMSBSLP-UHFFFAOYSA-N 1 0 382.302 1.777 20 0 GDADRO C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)CC1 ZINC000820780829 655415983 /nfs/dbraw/zinc/41/59/83/655415983.db2.gz YOYOEFCRZJHJAU-UHFFFAOYSA-N 1 0 377.293 1.972 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000821269037 655425466 /nfs/dbraw/zinc/42/54/66/655425466.db2.gz CMRBLAFRGLSBMK-UHFFFAOYSA-N 1 0 385.306 1.486 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)C2)CC1 ZINC000821397435 655428757 /nfs/dbraw/zinc/42/87/57/655428757.db2.gz GVYFNLGKIDAXSU-ZDUSSCGKSA-N 1 0 385.452 1.337 20 0 GDADRO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845579521 655433356 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FLRGNRWLOAKDLV-CANCMXDXSA-N 1 0 375.535 1.249 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)[C@@H]1CC[NH3+] ZINC000846229840 655450176 /nfs/dbraw/zinc/45/01/76/655450176.db2.gz AIRGEKZNNYUANO-VXGBXAGGSA-N 1 0 396.481 1.821 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3ccc(Br)o3)C2)C1 ZINC000846230578 655450188 /nfs/dbraw/zinc/45/01/88/655450188.db2.gz LQDDRAREWSERGE-TUAOUCFPSA-N 1 0 393.303 1.949 20 0 GDADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000822870248 655452691 /nfs/dbraw/zinc/45/26/91/655452691.db2.gz SCUZQCRQLWZSGH-STQMWFEESA-N 1 0 389.543 1.955 20 0 GDADRO O=C(Cc1noc(C[C@@H]2COCC[NH2+]2)n1)Nc1ccccc1Br ZINC000823075754 655456204 /nfs/dbraw/zinc/45/62/04/655456204.db2.gz WSGFQUQPZBOGCI-SNVBAGLBSA-N 1 0 381.230 1.544 20 0 GDADRO C[NH+]1CCC(ONC(=O)c2cc(I)ccc2O)CC1 ZINC000846647001 655458345 /nfs/dbraw/zinc/45/83/45/655458345.db2.gz QGUWZINNEWAIKB-UHFFFAOYSA-N 1 0 376.194 1.752 20 0 GDADRO O=C(NCC1SCCS1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000823402078 655462431 /nfs/dbraw/zinc/46/24/31/655462431.db2.gz DCLXJYUTADAUPQ-HOTGVXAUSA-N 1 0 381.567 1.975 20 0 GDADRO CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000823453585 655463372 /nfs/dbraw/zinc/46/33/72/655463372.db2.gz TUWQVBHWAINNKD-CABCVRRESA-N 1 0 377.551 1.797 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000823515525 655464397 /nfs/dbraw/zinc/46/43/97/655464397.db2.gz LGJMIHNLJBRJAX-RRFJBIMHSA-N 1 0 375.535 1.693 20 0 GDADRO NC(=O)[C@]1([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCOC1 ZINC000847051399 655465035 /nfs/dbraw/zinc/46/50/35/655465035.db2.gz GXVBKUIBADGKGK-HZMBPMFUSA-N 1 0 393.665 1.076 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Br)cn3ncnc13)CCO2 ZINC000823674534 655466561 /nfs/dbraw/zinc/46/65/61/655466561.db2.gz XZHBJXVRJHRTFP-UHFFFAOYSA-N 1 0 394.273 1.429 20 0 GDADRO C[C@H]1C[C@H](C[NH2+]CC(C)(C)NS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823788584 655467987 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[NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000825189304 655485400 /nfs/dbraw/zinc/48/54/00/655485400.db2.gz ZZBWHYMHCDHEOH-GXTWGEPZSA-N 1 0 385.917 1.982 20 0 GDADRO [NH3+]CC[C@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C(F)(F)F ZINC000825206910 655485668 /nfs/dbraw/zinc/48/56/68/655485668.db2.gz AAUWBXLBXLQFRV-LBPRGKRZSA-N 1 0 399.822 1.889 20 0 GDADRO CN(C)C(=O)CN1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000825342751 655488083 /nfs/dbraw/zinc/48/80/83/655488083.db2.gz GAHJOSVUCSXQMT-INIZCTEOSA-N 1 0 384.318 1.625 20 0 GDADRO [NH3+]C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)C(F)(F)F ZINC000848439128 655490150 /nfs/dbraw/zinc/49/01/50/655490150.db2.gz OXENMXVEAFLYJW-LBPRGKRZSA-N 1 0 383.367 1.230 20 0 GDADRO Cn1nc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1Br ZINC000825761281 655493367 /nfs/dbraw/zinc/49/33/67/655493367.db2.gz RSZOGQWRDLABLE-CYBMUJFWSA-N 1 0 384.322 1.425 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3c(Br)nc4n3CCC4)CC2)C1 ZINC000825864041 655494302 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1.615 20 0 GDADRO Cc1cc([C@H]([NH3+])CC(=O)NCCS(=O)(=O)NC(C)(C)C)cc(Cl)n1 ZINC000826884774 655502644 /nfs/dbraw/zinc/50/26/44/655502644.db2.gz KYFRWGACLUQDQD-GFCCVEGCSA-N 1 0 376.910 1.267 20 0 GDADRO Cn1nc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1Br ZINC000827064983 655504867 /nfs/dbraw/zinc/50/48/67/655504867.db2.gz YWIPEKFUAPXJAI-ZIAGYGMSSA-N 1 0 385.306 1.680 20 0 GDADRO Cc1c(Br)ccc(F)c1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000827091600 655505629 /nfs/dbraw/zinc/50/56/29/655505629.db2.gz CBRSUQUBTBXQRX-ZDUSSCGKSA-N 1 0 386.265 1.966 20 0 GDADRO CC(C)(C)OC(=O)N1CCN2C(NCc3n[nH]cc3Br)=[NH+]C[C@H]2C1 ZINC000849086909 655517133 /nfs/dbraw/zinc/51/71/33/655517133.db2.gz FFUPHTLVKAYRQE-JTQLQIEISA-N 1 0 399.293 1.553 20 0 GDADRO COc1ccccc1CNC(=[NH2+])NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000849107906 655517390 /nfs/dbraw/zinc/51/73/90/655517390.db2.gz HDOTZULZUSMVAX-CYBMUJFWSA-N 1 0 383.495 1.205 20 0 GDADRO COC[C@H](C)NC(=[NH2+])NC[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000849115053 655517444 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Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000850386869 655554000 /nfs/dbraw/zinc/55/40/00/655554000.db2.gz QUAXIFZUNNWGNC-UONOGXRCSA-N 1 0 375.922 1.703 20 0 GDADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000850417852 655554746 /nfs/dbraw/zinc/55/47/46/655554746.db2.gz ORDPHFCZONAJRK-NSHDSACASA-N 1 0 375.466 1.818 20 0 GDADRO CCOC(=O)NC1CCC([NH2+]CCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC000850447229 655555249 /nfs/dbraw/zinc/55/52/49/655555249.db2.gz IBYSOGGKXDIHNA-UHFFFAOYSA-N 1 0 389.543 1.982 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCC2SCCS2)cc1 ZINC000850701865 655565647 /nfs/dbraw/zinc/56/56/47/655565647.db2.gz DUEUWSUDRKIBFZ-UHFFFAOYSA-N 1 0 383.539 1.878 20 0 GDADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000850728660 655566658 /nfs/dbraw/zinc/56/66/58/655566658.db2.gz AWAAQVDMFMFSCV-UHFFFAOYSA-N 1 0 387.889 1.637 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850827454 655569147 /nfs/dbraw/zinc/56/91/47/655569147.db2.gz OGFBYIBHONSUEQ-DTWKUNHWSA-N 1 0 382.877 1.250 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850827462 655569152 /nfs/dbraw/zinc/56/91/52/655569152.db2.gz OGFBYIBHONSUEQ-RKDXNWHRSA-N 1 0 382.877 1.250 20 0 GDADRO COC[C@]1(CNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CCC[NH2+]1 ZINC000851637377 655589559 /nfs/dbraw/zinc/58/95/59/655589559.db2.gz ZPKBAVOASZTXJQ-CQSZACIVSA-N 1 0 380.388 1.479 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1Cl ZINC000851648447 655589637 /nfs/dbraw/zinc/58/96/37/655589637.db2.gz HJCYKCPHYBYKGW-VXGBXAGGSA-N 1 0 379.841 1.033 20 0 GDADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 ZINC000851672353 655590162 /nfs/dbraw/zinc/59/01/62/655590162.db2.gz DOBFMPFTFCIQCY-LBPRGKRZSA-N 1 0 385.452 1.383 20 0 GDADRO C[C@]12CCN(C(=O)N[C@@H]3CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000851664772 655590247 /nfs/dbraw/zinc/59/02/47/655590247.db2.gz KKDVMBCFHZZWOI-KKZNHRDASA-N 1 0 381.112 1.886 20 0 GDADRO CN(CCn1cnc(Br)n1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000851956785 655604454 /nfs/dbraw/zinc/60/44/54/655604454.db2.gz FYYXPROOHSDESU-KRWDZBQOSA-N 1 0 394.317 1.609 20 0 GDADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3SCCS3)cn2)CC1 ZINC000851961947 655604642 /nfs/dbraw/zinc/60/46/42/655604642.db2.gz MXIVKXZBNOUTSS-UHFFFAOYSA-N 1 0 381.571 1.829 20 0 GDADRO O=C(NCCn1cc(Br)cn1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852333555 655612422 /nfs/dbraw/zinc/61/24/22/655612422.db2.gz OYZOBQUFFLPWML-AWEZNQCLSA-N 1 0 386.294 1.198 20 0 GDADRO Ic1cnnn1C1CC[NH+](CCC2OCCCO2)CC1 ZINC000852532881 655617464 /nfs/dbraw/zinc/61/74/64/655617464.db2.gz RLOPWRZPCOKFPE-UHFFFAOYSA-N 1 0 392.241 1.673 20 0 GDADRO CS(=O)(=O)CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600648 655618540 /nfs/dbraw/zinc/61/85/40/655618540.db2.gz KEZFOPLLWSAJJM-CQSZACIVSA-N 1 0 384.464 1.934 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000852795806 655622685 /nfs/dbraw/zinc/62/26/85/655622685.db2.gz KZDFHLUSWNLYOW-UHFFFAOYSA-N 1 0 377.233 1.503 20 0 GDADRO COC(=O)C[C@@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000852814061 655623414 /nfs/dbraw/zinc/62/34/14/655623414.db2.gz QJZJXQYHNKDMBH-VXGBXAGGSA-N 1 0 384.230 1.273 20 0 GDADRO COC(=O)C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000852814058 655623445 /nfs/dbraw/zinc/62/34/45/655623445.db2.gz QJZJXQYHNKDMBH-RYUDHWBXSA-N 1 0 384.230 1.273 20 0 GDADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000852819076 655623541 /nfs/dbraw/zinc/62/35/41/655623541.db2.gz XGUSLLBYLILTGD-GFCCVEGCSA-N 1 0 389.244 1.646 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852825380 655623708 /nfs/dbraw/zinc/62/37/08/655623708.db2.gz PBKOKXPJLOGRPF-LLVKDONJSA-N 1 0 383.246 1.306 20 0 GDADRO [NH3+]C1(CNC(=O)c2ccc3ncc(I)n3c2)CCCC1 ZINC000852851639 655624112 /nfs/dbraw/zinc/62/41/12/655624112.db2.gz GGZPOIIPBWHCBN-UHFFFAOYSA-N 1 0 384.221 1.940 20 0 GDADRO CCC[NH2+][C@@H](C)C(=O)N1CCC(n2nncc2I)CC1 ZINC000852860880 655624277 /nfs/dbraw/zinc/62/42/77/655624277.db2.gz KEWBCRIOQNUKIX-JTQLQIEISA-N 1 0 391.257 1.434 20 0 GDADRO CCC[NH2+][C@H](C)C(=O)N1CCC(n2nncc2I)CC1 ZINC000852860881 655624310 /nfs/dbraw/zinc/62/43/10/655624310.db2.gz KEWBCRIOQNUKIX-SNVBAGLBSA-N 1 0 391.257 1.434 20 0 GDADRO O=C(C=C1CC[NH2+]CC1)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000852890961 655625363 /nfs/dbraw/zinc/62/53/63/655625363.db2.gz NLTFWNCTDFCRBP-UHFFFAOYSA-N 1 0 375.853 1.183 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000852906532 655627448 /nfs/dbraw/zinc/62/74/48/655627448.db2.gz HNJMHWKIAGFPSK-INIZCTEOSA-N 1 0 382.302 1.866 20 0 GDADRO COC(=O)NC1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000852923543 655628464 /nfs/dbraw/zinc/62/84/64/655628464.db2.gz CEEJVCOSYUDJDX-INIZCTEOSA-N 1 0 384.274 1.970 20 0 GDADRO C[C@@H]1CCN(C(=S)NCC2CC[NH+](C)CC2)C[C@@H]1NC(=O)C(F)(F)F ZINC000853051209 655630592 /nfs/dbraw/zinc/63/05/92/655630592.db2.gz BOKDYLCKLCZRGD-YPMHNXCESA-N 1 0 380.480 1.592 20 0 GDADRO COC(=O)N(C)CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000853118733 655632918 /nfs/dbraw/zinc/63/29/18/655632918.db2.gz OLHBTZJEJBWGLM-LBPRGKRZSA-N 1 0 379.226 1.616 20 0 GDADRO CCC[N@H+](C)CC(C)(C)NC(=O)NC1CCN(S(=O)(=O)CCC)CC1 ZINC000853301314 655638084 /nfs/dbraw/zinc/63/80/84/655638084.db2.gz YFYBXRHKSJTOPA-UHFFFAOYSA-N 1 0 376.567 1.610 20 0 GDADRO O=C1O[C@]2(CN1CN1CCn3ncc(Br)c3C1)C[NH+]1CCC2CC1 ZINC000853599670 655644651 /nfs/dbraw/zinc/64/46/51/655644651.db2.gz HFTSTTFUSZUSEG-INIZCTEOSA-N 1 0 396.289 1.335 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000854278498 655659987 /nfs/dbraw/zinc/65/99/87/655659987.db2.gz WZVFQDIMLNESBW-GFCCVEGCSA-N 1 0 397.155 1.636 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1(Br)Br ZINC000854353703 655663829 /nfs/dbraw/zinc/66/38/29/655663829.db2.gz DCRBSCXVYGKEOH-JQWIXIFHSA-N 1 0 395.139 1.389 20 0 GDADRO CSC1(CNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC[NH+](C)CC1 ZINC000854523549 655668794 /nfs/dbraw/zinc/66/87/94/655668794.db2.gz UKODVSGDCHUWAW-UHFFFAOYSA-N 1 0 391.946 1.696 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(Br)nn2C)CC1=O ZINC000854588838 655670546 /nfs/dbraw/zinc/67/05/46/655670546.db2.gz OMSISTUPDDZOAE-VXGBXAGGSA-N 1 0 398.305 1.454 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000855639408 655698650 /nfs/dbraw/zinc/69/86/50/655698650.db2.gz IJVRVVNVUBGUTJ-UHFFFAOYSA-N 1 0 385.917 1.758 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2nccn3c(Br)cnc23)CCO1 ZINC000856430049 655713124 /nfs/dbraw/zinc/71/31/24/655713124.db2.gz PTTRCRHFOAFKIT-GFCCVEGCSA-N 1 0 396.289 1.675 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C2CCCCC2)cc1 ZINC000856733229 655715580 /nfs/dbraw/zinc/71/55/80/655715580.db2.gz SWEVHPVDTHSESM-CQSZACIVSA-N 1 0 388.555 1.993 20 0 GDADRO C[C@H](CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)NS(=O)(=O)c1cccnc1Cl ZINC000857009120 655725509 /nfs/dbraw/zinc/72/55/09/655725509.db2.gz TYAIYBCWROYONA-BFQNTYOBSA-N 1 0 386.905 1.132 20 0 GDADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857019237 655725907 /nfs/dbraw/zinc/72/59/07/655725907.db2.gz USVGMVNSGGEKFN-NSHDSACASA-N 1 0 388.262 1.442 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=O)NCC[C@H](C)[NH3+])cc1Br ZINC000857109823 655728082 /nfs/dbraw/zinc/72/80/82/655728082.db2.gz OCFPQBJFVIJVBB-AAEUAGOBSA-N 1 0 388.306 1.645 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C2 ZINC000857237882 655731721 /nfs/dbraw/zinc/73/17/21/655731721.db2.gz WELRXZYJLQCFJP-YGRLFVJLSA-N 1 0 380.438 1.185 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000857256674 655732312 /nfs/dbraw/zinc/73/23/12/655732312.db2.gz LKPYSEMZAPQWHQ-RYUDHWBXSA-N 1 0 383.290 1.875 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1nc(Br)cs1 ZINC000857767286 655741328 /nfs/dbraw/zinc/74/13/28/655741328.db2.gz BKODMIKQYKMTLO-ZETCQYMHSA-N 1 0 387.225 1.472 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c(Br)n1 ZINC000858134147 655744788 /nfs/dbraw/zinc/74/47/88/655744788.db2.gz KIJKSVMCJMDYCD-GFCCVEGCSA-N 1 0 378.274 1.650 20 0 GDADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1cn(C)nc1Br ZINC000858141136 655744919 /nfs/dbraw/zinc/74/49/19/655744919.db2.gz NGYILUOULMUJQJ-AWEZNQCLSA-N 1 0 393.333 1.878 20 0 GDADRO Cn1cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c(Br)n1 ZINC000858149506 655744949 /nfs/dbraw/zinc/74/49/49/655744949.db2.gz MFLUOFQFRIUEMR-UHFFFAOYSA-N 1 0 377.308 1.229 20 0 GDADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccccc1I ZINC000858224924 655746004 /nfs/dbraw/zinc/74/60/04/655746004.db2.gz XISTZUUQJTZLQC-AWEZNQCLSA-N 1 0 387.265 1.721 20 0 GDADRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000858540766 655749142 /nfs/dbraw/zinc/74/91/42/655749142.db2.gz AGCHGVXTEJTFNT-VIFPVBQESA-N 1 0 376.226 1.703 20 0 GDADRO C[C@]1(CNS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CCC[NH2+]C1 ZINC000858611230 655750070 /nfs/dbraw/zinc/75/00/70/655750070.db2.gz NRHLBKMKLXMQHF-AWEZNQCLSA-N 1 0 379.404 1.855 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)C[C@H]1C[NH3+] ZINC000858614515 655750435 /nfs/dbraw/zinc/75/04/35/655750435.db2.gz CHXYNAJPJNXOOM-QMTHXVAHSA-N 1 0 391.877 1.503 20 0 GDADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000858617094 655750614 /nfs/dbraw/zinc/75/06/14/655750614.db2.gz BQZWTAVYTISWER-GFCCVEGCSA-N 1 0 398.428 1.543 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C2 ZINC000858617540 655750619 /nfs/dbraw/zinc/75/06/19/655750619.db2.gz ZCJRSXRGVIIUPT-IINYFYTJSA-N 1 0 377.388 1.689 20 0 GDADRO CCN(CC[NH3+])S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000858619146 655750700 /nfs/dbraw/zinc/75/07/00/655750700.db2.gz LKZDTBLYXLPAKB-UHFFFAOYSA-N 1 0 399.694 1.858 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cnc1Cl ZINC000858624400 655750958 /nfs/dbraw/zinc/75/09/58/655750958.db2.gz GTWIHLIETMIZBF-WPRPVWTQSA-N 1 0 387.811 1.891 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000858625388 655751004 /nfs/dbraw/zinc/75/10/04/655751004.db2.gz UAWUFEGQKSBDGO-JGVFFNPUSA-N 1 0 381.248 1.248 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000858626483 655751162 /nfs/dbraw/zinc/75/11/62/655751162.db2.gz DZZWGOHIUMOYBV-UHFFFAOYSA-N 1 0 379.866 1.375 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000858635850 655751691 /nfs/dbraw/zinc/75/16/91/655751691.db2.gz CMHJLEUYIHAWAO-CALCHBBNSA-N 1 0 385.917 1.662 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N(C)C[C@H](C)[NH3+] ZINC000858639927 655751826 /nfs/dbraw/zinc/75/18/26/655751826.db2.gz FZHCBCMVBCFZBX-JTQLQIEISA-N 1 0 381.292 1.442 20 0 GDADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000858640287 655751833 /nfs/dbraw/zinc/75/18/33/655751833.db2.gz KVEWNYRZTUHFSL-CQSZACIVSA-N 1 0 389.543 1.219 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000858642217 655751928 /nfs/dbraw/zinc/75/19/28/655751928.db2.gz FAADZTHVNNVJTP-GZMMTYOYSA-N 1 0 377.260 1.264 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000858983798 655758236 /nfs/dbraw/zinc/75/82/36/655758236.db2.gz PXVCYXUXCFMUNL-NSHDSACASA-N 1 0 379.404 1.760 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)cc1Cl ZINC000859012524 655759439 /nfs/dbraw/zinc/75/94/39/655759439.db2.gz PXHRIYMLAMDQEY-UHFFFAOYSA-N 1 0 391.877 1.253 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Br)nc1F ZINC000859016651 655759552 /nfs/dbraw/zinc/75/95/52/655759552.db2.gz UTVQLABKHXYNQD-NXEZZACHSA-N 1 0 380.283 1.944 20 0 GDADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000859120847 655764426 /nfs/dbraw/zinc/76/44/26/655764426.db2.gz KDYHCANCRVDBQT-NSHDSACASA-N 1 0 379.404 1.950 20 0 GDADRO C[C@]1(Br)C[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000859203091 655769217 /nfs/dbraw/zinc/76/92/17/655769217.db2.gz ZIAXMZAVTMKATL-PBHICJAKSA-N 1 0 396.333 1.669 20 0 GDADRO C[C@@]1(Br)C[C@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000859203093 655769287 /nfs/dbraw/zinc/76/92/87/655769287.db2.gz ZIAXMZAVTMKATL-WMLDXEAASA-N 1 0 396.333 1.669 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Br)cc(C=O)c1)CN1CC[NH+](C)CC1 ZINC000859360308 655778622 /nfs/dbraw/zinc/77/86/22/655778622.db2.gz CELAVEYFALNIQT-ZDUSSCGKSA-N 1 0 382.302 1.875 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc(Br)cnc3F)CC2)C1 ZINC000859410834 655782122 /nfs/dbraw/zinc/78/21/22/655782122.db2.gz FYUGPGQSQBJUFD-ZDUSSCGKSA-N 1 0 385.281 1.835 20 0 GDADRO CN1CCN(C(=O)CC[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000860048160 655794129 /nfs/dbraw/zinc/79/41/29/655794129.db2.gz QJOXIEOLBOBYEZ-SJLPKXTDSA-N 1 0 396.329 1.721 20 0 GDADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@]1(C)Br ZINC000860384119 655799786 /nfs/dbraw/zinc/79/97/86/655799786.db2.gz RYGBJBIVBMCSJV-RVKKMQEKSA-N 1 0 396.329 1.565 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CC2(CC2)c2ccc(Br)cc21 ZINC000861505816 655823999 /nfs/dbraw/zinc/82/39/99/655823999.db2.gz BTFQHHNOHZNARY-ABAIWWIYSA-N 1 0 390.281 1.648 20 0 GDADRO Cc1nc(Cl)ccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000861515719 655824280 /nfs/dbraw/zinc/82/42/80/655824280.db2.gz KSPOUQBIODLRFS-ZJUUUORDSA-N 1 0 378.782 1.968 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000861542595 655825519 /nfs/dbraw/zinc/82/55/19/655825519.db2.gz RMILZXMCGULIQW-SSDOTTSWSA-N 1 0 395.628 1.689 20 0 GDADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2C[C@]2(C)Br)CC1 ZINC000861680652 655828202 /nfs/dbraw/zinc/82/82/02/655828202.db2.gz GIAWEZKMASNERV-HOCLYGCPSA-N 1 0 377.323 1.746 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000861741751 655829594 /nfs/dbraw/zinc/82/95/94/655829594.db2.gz XXWMQGCCHSJJTM-MRVPVSSYSA-N 1 0 382.675 1.947 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cl)nc2)CC[C@H]1C(F)(F)F ZINC000861744466 655829776 /nfs/dbraw/zinc/82/97/76/655829776.db2.gz WNHVLCFCTBWASM-WDEREUQCSA-N 1 0 378.782 1.337 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000862030921 655836902 /nfs/dbraw/zinc/83/69/02/655836902.db2.gz AYFQFRFULUKNOQ-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000862032458 655837163 /nfs/dbraw/zinc/83/71/63/655837163.db2.gz TXPNSPFFAKWTQS-NSHDSACASA-N 1 0 399.289 1.639 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862274885 655843893 /nfs/dbraw/zinc/84/38/93/655843893.db2.gz WMOZVKPAGXXYEN-GFCCVEGCSA-N 1 0 385.477 1.550 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862290151 655843944 /nfs/dbraw/zinc/84/39/44/655843944.db2.gz OVMMNDHTDMIQDJ-ZFWWWQNUSA-N 1 0 376.519 1.425 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862384639 655845477 /nfs/dbraw/zinc/84/54/77/655845477.db2.gz FOMJITMGYBCVGU-VXGBXAGGSA-N 1 0 385.477 1.549 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(Br)nc2n1CCCC2 ZINC000862648694 655850839 /nfs/dbraw/zinc/85/08/39/655850839.db2.gz CHRYJGXXFSCFQG-NSHDSACASA-N 1 0 398.305 1.052 20 0 GDADRO C[NH+](C)CCNC(=S)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000863244220 655863887 /nfs/dbraw/zinc/86/38/87/655863887.db2.gz CYTFJOFBFVSLKX-RNJOBUHISA-N 1 0 378.464 1.154 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ccc(Br)cn2)CC1 ZINC000863548859 655875442 /nfs/dbraw/zinc/87/54/42/655875442.db2.gz YNZUXGRPMXPLJT-CABCVRRESA-N 1 0 381.274 1.601 20 0 GDADRO COC(=O)CCNC(=O)CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000863583391 655876677 /nfs/dbraw/zinc/87/66/77/655876677.db2.gz VTRLBWCGZXWKRI-CYBMUJFWSA-N 1 0 391.237 1.281 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000863767941 655880547 /nfs/dbraw/zinc/88/05/47/655880547.db2.gz XKWQSDUEVGBXTQ-SECBINFHSA-N 1 0 376.682 1.867 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000863771871 655880585 /nfs/dbraw/zinc/88/05/85/655880585.db2.gz DQPKWYVMTKVYJC-SCRDCRAPSA-N 1 0 382.302 1.959 20 0 GDADRO Cn1cc(CN2CCOC3(CC[NH+](C)CC3)C2)c(I)n1 ZINC000864051001 655888079 /nfs/dbraw/zinc/88/80/79/655888079.db2.gz XQQVZJHKZZFIMN-UHFFFAOYSA-N 1 0 390.269 1.321 20 0 GDADRO Cn1nc(I)cc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000864068680 655889144 /nfs/dbraw/zinc/88/91/44/655889144.db2.gz UUBCHGRVJCJBGA-SECBINFHSA-N 1 0 376.242 1.627 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000864587825 655902741 /nfs/dbraw/zinc/90/27/41/655902741.db2.gz KFTVERCAWRWDLK-UHFFFAOYSA-N 1 0 380.290 1.464 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(I)nn1C ZINC000864879436 655907736 /nfs/dbraw/zinc/90/77/36/655907736.db2.gz KEHNYWJOMQQKNE-SNVBAGLBSA-N 1 0 376.242 1.629 20 0 GDADRO CC(=O)N[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000865008937 655910046 /nfs/dbraw/zinc/91/00/46/655910046.db2.gz QFXWGHMMORGGNO-GDBMZVCRSA-N 1 0 380.286 1.979 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cn1ccc(Br)cc1=O ZINC000865177218 655913778 /nfs/dbraw/zinc/91/37/78/655913778.db2.gz BHDRLDQWSGAMOO-AWEZNQCLSA-N 1 0 386.290 1.180 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]CCC(=O)N1CCN(C(C)=O)CC1 ZINC000865457365 655920170 /nfs/dbraw/zinc/92/01/70/655920170.db2.gz VLBURIYXNTUTJN-UHFFFAOYSA-N 1 0 399.289 1.023 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000865481100 655920450 /nfs/dbraw/zinc/92/04/50/655920450.db2.gz LLTCGWYHXCPHAM-MEDUHNTESA-N 1 0 397.273 1.663 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1Br ZINC000865697406 655924535 /nfs/dbraw/zinc/92/45/35/655924535.db2.gz XDRXBHINGHQABM-YMYJPDDMSA-N 1 0 387.299 1.610 20 0 GDADRO O=C1OC[C@]2(C[NH2+]Cc3cccc(I)c3)COCCN12 ZINC000865771035 655926269 /nfs/dbraw/zinc/92/62/69/655926269.db2.gz RENMBSPKJZGNSV-AWEZNQCLSA-N 1 0 388.205 1.602 20 0 GDADRO CC(C)C[C@H](CNC(=O)c1cc(I)nn1C)[NH+](C)C ZINC000865786741 655926540 /nfs/dbraw/zinc/92/65/40/655926540.db2.gz AHHJONRXRBZDKR-SNVBAGLBSA-N 1 0 378.258 1.731 20 0 GDADRO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(Br)s1 ZINC000865795758 655926844 /nfs/dbraw/zinc/92/68/44/655926844.db2.gz MNPUEHQJBZNGSB-YGRLFVJLSA-N 1 0 375.288 1.789 20 0 GDADRO CC(C)n1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1I ZINC000865808338 655927504 /nfs/dbraw/zinc/92/75/04/655927504.db2.gz IFBOQNHIMHKFPT-JTQLQIEISA-N 1 0 376.242 1.893 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(I)nn2C)C1 ZINC000866193722 655935746 /nfs/dbraw/zinc/93/57/46/655935746.db2.gz PHRWDAXHPWTRLW-JTQLQIEISA-N 1 0 376.242 1.439 20 0 GDADRO CN1CC[NH+](C2CCN(c3ncccc3I)CC2)CC1 ZINC000866212670 655936166 /nfs/dbraw/zinc/93/61/66/655936166.db2.gz MOIZMGZQEVJVJN-UHFFFAOYSA-N 1 0 386.281 1.902 20 0 GDADRO CN1CC[NH+](C2CCN(c3nnc4ccc(Br)cn43)CC2)CC1 ZINC000866213145 655936237 /nfs/dbraw/zinc/93/62/37/655936237.db2.gz MHNFHJQOLJSCFM-UHFFFAOYSA-N 1 0 379.306 1.708 20 0 GDADRO Cn1nc(I)cc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000866333808 655937872 /nfs/dbraw/zinc/93/78/72/655937872.db2.gz NLMDHVCJQFRZPL-LBPRGKRZSA-N 1 0 394.282 1.192 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(I)nn1C ZINC000866423600 655942000 /nfs/dbraw/zinc/94/20/00/655942000.db2.gz WZNSRCBMQJVQEJ-MNOVXSKESA-N 1 0 388.253 1.724 20 0 GDADRO C[C@@H]1C[NH+](Cc2ccc(CNS(=O)(=O)N=S(C)(C)=O)cc2)C[C@@H](C)O1 ZINC000866482470 655946187 /nfs/dbraw/zinc/94/61/87/655946187.db2.gz XZDSGSOLWQYNCH-ZIAGYGMSSA-N 1 0 389.543 1.358 20 0 GDADRO COC(C)(C)CC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866504225 655947746 /nfs/dbraw/zinc/94/77/46/655947746.db2.gz BKNXPCKYFSMNPF-ZDUSSCGKSA-N 1 0 392.543 1.878 20 0 GDADRO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(Br)ccc1F ZINC000866555809 655949460 /nfs/dbraw/zinc/94/94/60/655949460.db2.gz NZLSLAQGUXHTSW-MEDUHNTESA-N 1 0 387.249 1.867 20 0 GDADRO O=C1NC(=O)C2(CCC([NH2+][C@H]3COc4cccc(Br)c4C3)CC2)N1 ZINC000866594688 655951076 /nfs/dbraw/zinc/95/10/76/655951076.db2.gz LACRAGKWQVLQCB-VVHFOWEKSA-N 1 0 394.269 1.863 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000866682363 655954416 /nfs/dbraw/zinc/95/44/16/655954416.db2.gz JSTZOPXLFYPDMI-IYBDPMFKSA-N 1 0 394.607 1.229 20 0 GDADRO C[C@H](NS(=O)(=O)CCC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000866695349 655954939 /nfs/dbraw/zinc/95/49/39/655954939.db2.gz VIAQJOZMGPYWLX-GJZGRUSLSA-N 1 0 377.551 1.893 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000866717584 655956437 /nfs/dbraw/zinc/95/64/37/655956437.db2.gz JLWADFSRZDNSQH-UHFFFAOYSA-N 1 0 379.324 1.913 20 0 GDADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000866747531 655958493 /nfs/dbraw/zinc/95/84/93/655958493.db2.gz PKHBTBVHGWYTGK-CQSZACIVSA-N 1 0 377.551 1.893 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1Br ZINC000866751169 655958919 /nfs/dbraw/zinc/95/89/19/655958919.db2.gz VCLWRWZGJHMLEB-LLVKDONJSA-N 1 0 377.308 1.432 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000866752623 655959119 /nfs/dbraw/zinc/95/91/19/655959119.db2.gz UIZBRMVBSZAKKW-CQSZACIVSA-N 1 0 381.420 1.257 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000866765893 655960523 /nfs/dbraw/zinc/96/05/23/655960523.db2.gz DAPDKPVKKWJVCP-RISCZKNCSA-N 1 0 389.315 1.971 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)C2 ZINC000866779317 655962628 /nfs/dbraw/zinc/96/26/28/655962628.db2.gz LDAYRWSKHGOLIJ-HZMBPMFUSA-N 1 0 377.388 1.689 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000866792597 655964323 /nfs/dbraw/zinc/96/43/23/655964323.db2.gz GRFVNYZFMPIPBZ-ONGXEEELSA-N 1 0 391.287 1.736 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)nc3F)CC2)C1 ZINC000866794894 655964408 /nfs/dbraw/zinc/96/44/08/655964408.db2.gz USNMUDMISLOUHO-GFCCVEGCSA-N 1 0 376.885 1.275 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)nc2F)[C@@H](C)C1 ZINC000866797078 655964675 /nfs/dbraw/zinc/96/46/75/655964675.db2.gz OVGXGQKARWKQFM-QWHCGFSZSA-N 1 0 377.457 1.775 20 0 GDADRO COCCC1(NS(=O)(=O)c2ccc(Br)s2)CC[NH2+]CC1 ZINC000866820995 655967009 /nfs/dbraw/zinc/96/70/09/655967009.db2.gz YRSYXYSKVJUWNS-UHFFFAOYSA-N 1 0 383.333 1.948 20 0 GDADRO COCCC1(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC[NH2+]CC1 ZINC000866821313 655967026 /nfs/dbraw/zinc/96/70/26/655967026.db2.gz ZIJUBAJDWDJOGT-UHFFFAOYSA-N 1 0 390.889 1.564 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(Br)n1 ZINC000866822439 655967130 /nfs/dbraw/zinc/96/71/30/655967130.db2.gz DNANZMUSQACCSG-LBPRGKRZSA-N 1 0 391.335 1.822 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1OC ZINC000866822997 655967248 /nfs/dbraw/zinc/96/72/48/655967248.db2.gz FFMIBDMHIDJISC-QWHCGFSZSA-N 1 0 388.873 1.650 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1)C(F)(F)F ZINC000866824105 655967294 /nfs/dbraw/zinc/96/72/94/655967294.db2.gz RRCMQWHTHJZKDT-QWHCGFSZSA-N 1 0 377.388 1.702 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866830471 655967929 /nfs/dbraw/zinc/96/79/29/655967929.db2.gz DBDFLOQTKCBOOA-RYUDHWBXSA-N 1 0 375.288 1.973 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC1 ZINC000866849565 655970036 /nfs/dbraw/zinc/97/00/36/655970036.db2.gz VZVBPRAWEMXHPV-UHFFFAOYSA-N 1 0 387.889 1.949 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)CCC[NH+]1CCCC1)C1CC1 ZINC000866861830 655971425 /nfs/dbraw/zinc/97/14/25/655971425.db2.gz XCXRXOAZRZNFSF-OAHLLOKOSA-N 1 0 375.535 1.695 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)c1C(F)(F)F ZINC000866862168 655971568 /nfs/dbraw/zinc/97/15/68/655971568.db2.gz CIXNBPOZJTWDPL-UHFFFAOYSA-N 1 0 384.424 1.170 20 0 GDADRO C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1Cl)CN1CC[NH+](C)CC1 ZINC000866873019 655972385 /nfs/dbraw/zinc/97/23/85/655972385.db2.gz KAQNUSWNAILZJF-CYBMUJFWSA-N 1 0 377.913 1.782 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)cnc1Cl)CN1CC[NH+](C)CC1 ZINC000866874463 655972575 /nfs/dbraw/zinc/97/25/75/655972575.db2.gz QIBBIDQPURYKPS-NSHDSACASA-N 1 0 381.329 1.550 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000866974767 655983522 /nfs/dbraw/zinc/98/35/22/655983522.db2.gz ZKLRWMGXZUJQQG-GXTWGEPZSA-N 1 0 398.356 1.139 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000866981657 655983767 /nfs/dbraw/zinc/98/37/67/655983767.db2.gz FFMNZGYQUYELAX-LSDHHAIUSA-N 1 0 381.564 1.097 20 0 GDADRO C[C@H](C[C@H](O)c1cccs1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000867000663 655985864 /nfs/dbraw/zinc/98/58/64/655985864.db2.gz LHXZGHOAIMZVLR-CABCVRRESA-N 1 0 375.560 1.117 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000867078780 655993949 /nfs/dbraw/zinc/99/39/49/655993949.db2.gz QGRQMOZQKYPHLC-FYSMJZIKSA-N 1 0 389.543 1.095 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000867114115 655996940 /nfs/dbraw/zinc/99/69/40/655996940.db2.gz ZYQPSRKMNVWLEH-QGZVFWFLSA-N 1 0 375.535 1.601 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cn(C)nc1Br ZINC000867146131 656002206 /nfs/dbraw/zinc/00/22/06/656002206.db2.gz NWROCLVPWYNLQA-MNOVXSKESA-N 1 0 379.324 1.581 20 0 GDADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cn(C)nc1Br ZINC000867171301 656006502 /nfs/dbraw/zinc/00/65/02/656006502.db2.gz AHNLGRZZELMFDK-UHFFFAOYSA-N 1 0 379.324 1.679 20 0 GDADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000867268780 656027043 /nfs/dbraw/zinc/02/70/43/656027043.db2.gz AIRAVGLHDYYOCV-GJZGRUSLSA-N 1 0 375.535 1.790 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000867307560 656035058 /nfs/dbraw/zinc/03/50/58/656035058.db2.gz BCWFWWIMPXNWTM-DZGCQCFKSA-N 1 0 375.535 1.740 20 0 GDADRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cn(C)nc1Br ZINC000867321157 656037784 /nfs/dbraw/zinc/03/77/84/656037784.db2.gz UXEGINICFDXYHL-LBPRGKRZSA-N 1 0 393.351 1.971 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC(C[NH+](C)C)C2)c1 ZINC000867324068 656038249 /nfs/dbraw/zinc/03/82/49/656038249.db2.gz OQYNPMANRVVXCS-UHFFFAOYSA-N 1 0 391.287 1.418 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000867380183 656049519 /nfs/dbraw/zinc/04/95/19/656049519.db2.gz DMHICWCBBBEANF-OAHLLOKOSA-N 1 0 395.301 1.547 20 0 GDADRO O=C(NCCSCCC(F)(F)F)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000867411235 656056181 /nfs/dbraw/zinc/05/61/81/656056181.db2.gz MISQHLNAMGHZSJ-CYBMUJFWSA-N 1 0 381.464 1.875 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000867498487 656071433 /nfs/dbraw/zinc/07/14/33/656071433.db2.gz KWRMOBUDXLGYIH-UHFFFAOYSA-N 1 0 379.404 1.785 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000867503862 656072192 /nfs/dbraw/zinc/07/21/92/656072192.db2.gz LIXOWULXZMMUIT-XMMPIXPASA-N 1 0 394.538 1.000 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867503848 656072251 /nfs/dbraw/zinc/07/22/51/656072251.db2.gz LIXOWULXZMMUIT-DEOSSOPVSA-N 1 0 394.538 1.000 20 0 GDADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2ccc(Br)cn2)CC[N@@H+]1C ZINC000867521982 656075746 /nfs/dbraw/zinc/07/57/46/656075746.db2.gz GCCJZKHTACAMPH-FZMZJTMJSA-N 1 0 383.290 1.401 20 0 GDADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc(Br)cn2)CC[N@@H+]1C ZINC000867521984 656075789 /nfs/dbraw/zinc/07/57/89/656075789.db2.gz GCCJZKHTACAMPH-SMDDNHRTSA-N 1 0 383.290 1.401 20 0 GDADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867569705 656086377 /nfs/dbraw/zinc/08/63/77/656086377.db2.gz SSGMGBOKAODALL-UHFFFAOYSA-N 1 0 385.306 1.651 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCSCCC(F)(F)F ZINC000867572713 656086914 /nfs/dbraw/zinc/08/69/14/656086914.db2.gz XJKINIUKVBHNDW-OLZOCXBDSA-N 1 0 381.464 1.873 20 0 GDADRO C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCC1(C)C ZINC000867681037 656102038 /nfs/dbraw/zinc/10/20/38/656102038.db2.gz NGSYLWVPGJCEPO-UHFFFAOYSA-N 1 0 389.905 1.309 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)O1 ZINC000867979146 656136631 /nfs/dbraw/zinc/13/66/31/656136631.db2.gz GAAAPOQCZUXWMM-IHRRRGAJSA-N 1 0 384.274 1.201 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1nc(Br)sc1Cl ZINC000868089885 656140660 /nfs/dbraw/zinc/14/06/60/656140660.db2.gz XPIAVIQSINQHTI-MRVPVSSYSA-N 1 0 379.711 1.679 20 0 GDADRO COCCC1(NC(=O)Nc2cc(Br)c(=O)n(C)c2)CC[NH2+]CC1 ZINC000868132606 656141614 /nfs/dbraw/zinc/14/16/14/656141614.db2.gz QWUXSFNICUPJIV-UHFFFAOYSA-N 1 0 387.278 1.428 20 0 GDADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868128384 656141671 /nfs/dbraw/zinc/14/16/71/656141671.db2.gz MDJWQMFVBSAWTN-BETUJISGSA-N 1 0 387.889 1.732 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868246225 656146001 /nfs/dbraw/zinc/14/60/01/656146001.db2.gz JQLMPHIKNQPYKZ-ZETCQYMHSA-N 1 0 393.079 1.956 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000868283676 656148546 /nfs/dbraw/zinc/14/85/46/656148546.db2.gz DEVQLWZPJUACES-VXGBXAGGSA-N 1 0 382.917 1.780 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000868286873 656148716 /nfs/dbraw/zinc/14/87/16/656148716.db2.gz ROWSTMISCFMIAO-RKDXNWHRSA-N 1 0 384.230 1.107 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000868292520 656149217 /nfs/dbraw/zinc/14/92/17/656149217.db2.gz HSJVFBGKBLFVOY-LLVKDONJSA-N 1 0 383.290 1.985 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000868400173 656154199 /nfs/dbraw/zinc/15/41/99/656154199.db2.gz GAGJDRUDQIJCMA-TYNCELHUSA-N 1 0 396.285 1.297 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868416737 656154862 /nfs/dbraw/zinc/15/48/62/656154862.db2.gz FZLUAUFXKSHLCH-LSDHHAIUSA-N 1 0 398.276 1.900 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@](=O)C(C)(C)CC1 ZINC000868741814 656167432 /nfs/dbraw/zinc/16/74/32/656167432.db2.gz OQZJUONDYBDUDW-CANCMXDXSA-N 1 0 375.535 1.201 20 0 GDADRO O=C(NCc1ncc(Br)s1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000868783279 656168917 /nfs/dbraw/zinc/16/89/17/656168917.db2.gz KXRFCHKRAFQBMB-LLVKDONJSA-N 1 0 389.319 1.958 20 0 GDADRO CCCN(C(=O)c1cc(I)nn1C)[C@H]1CC[N@H+](C)C1 ZINC000869072851 656178605 /nfs/dbraw/zinc/17/86/05/656178605.db2.gz UILLWAUQWLPMDK-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1nc(Br)sc1Cl ZINC000869260824 656188869 /nfs/dbraw/zinc/18/88/69/656188869.db2.gz MHYPAYPANGFMLK-UHFFFAOYSA-N 1 0 397.726 1.651 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2[nH]nc3cnc(Br)cc32)CC1=O ZINC000869772268 656206835 /nfs/dbraw/zinc/20/68/35/656206835.db2.gz NFGYWERDENISQF-VIFPVBQESA-N 1 0 395.261 1.069 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(I)cn2)C1 ZINC000869776848 656207349 /nfs/dbraw/zinc/20/73/49/656207349.db2.gz YFNULSZGZYROLW-NSHDSACASA-N 1 0 389.237 1.261 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000869786162 656207900 /nfs/dbraw/zinc/20/79/00/656207900.db2.gz UKXFXGOLDHIDEG-AWEZNQCLSA-N 1 0 398.301 1.140 20 0 GDADRO Cc1nsc(N2CCN(C(=O)c3csc(C4CC[NH2+]CC4)n3)CC2)n1 ZINC000870894038 656253723 /nfs/dbraw/zinc/25/37/23/656253723.db2.gz DTEVKMMCLOQPOB-UHFFFAOYSA-N 1 0 378.527 1.732 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCC[C@H](Cn2ccnn2)C1)c1cccc(Br)c1 ZINC000870908908 656254800 /nfs/dbraw/zinc/25/48/00/656254800.db2.gz CQEPWGMTYGSUBP-SWLSCSKDSA-N 1 0 378.274 1.979 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000870969028 656259312 /nfs/dbraw/zinc/25/93/12/656259312.db2.gz MYNGVEJVWNIHAV-MQMHXKEQSA-N 1 0 385.917 1.982 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871358265 656266002 /nfs/dbraw/zinc/26/60/02/656266002.db2.gz OEUHMSFYWNDCOR-BBBYJDLNSA-N 1 0 379.592 1.427 20 0 GDADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1nc2ccc(Br)cn2n1 ZINC000871672282 656275920 /nfs/dbraw/zinc/27/59/20/656275920.db2.gz NJKQMGAWEXCEMU-GFCCVEGCSA-N 1 0 394.273 1.380 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000871810156 656280813 /nfs/dbraw/zinc/28/08/13/656280813.db2.gz JTBXQQDXMRJHSR-OAHLLOKOSA-N 1 0 380.491 1.083 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000871812320 656281584 /nfs/dbraw/zinc/28/15/84/656281584.db2.gz BYOLCMYVEVJCPJ-GXTWGEPZSA-N 1 0 379.404 1.080 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000871814098 656282647 /nfs/dbraw/zinc/28/26/47/656282647.db2.gz PEILXSIKIQQHFE-KWQFWETISA-N 1 0 384.351 1.370 20 0 GDADRO COC(=O)c1c(F)cccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871814431 656282872 /nfs/dbraw/zinc/28/28/72/656282872.db2.gz UPEUDMRYFNLJEE-BDAKNGLRSA-N 1 0 384.351 1.370 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000871814536 656282878 /nfs/dbraw/zinc/28/28/78/656282878.db2.gz VVVAKEVYIBSZPM-JQWIXIFHSA-N 1 0 399.460 1.184 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871822069 656284034 /nfs/dbraw/zinc/28/40/34/656284034.db2.gz BLHSMEWHIOPSHU-ZBFHGGJFSA-N 1 0 375.535 1.346 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872184930 656319409 /nfs/dbraw/zinc/31/94/09/656319409.db2.gz CXIIKCOXLIONPB-SUMWQHHRSA-N 1 0 380.286 1.475 20 0 GDADRO C[C@](O)(C[C@@H](O)C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000872201491 656319793 /nfs/dbraw/zinc/31/97/93/656319793.db2.gz CVHQASGGOXQNGT-KGLIPLIRSA-N 1 0 388.452 1.050 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872215865 656319958 /nfs/dbraw/zinc/31/99/58/656319958.db2.gz ILSFCDSTCQINSP-SWLSCSKDSA-N 1 0 390.318 1.720 20 0 GDADRO O=C(CC[NH2+]C[C@]12COC(=O)N1CCOC2)Nc1cccc(Br)c1 ZINC000872228272 656320276 /nfs/dbraw/zinc/32/02/76/656320276.db2.gz GSCMTFJDLZGWOI-INIZCTEOSA-N 1 0 398.257 1.589 20 0 GDADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000872229491 656320448 /nfs/dbraw/zinc/32/04/48/656320448.db2.gz PSTWMXQZFHLWFH-UEKVPHQBSA-N 1 0 378.252 1.901 20 0 GDADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc1 ZINC000872438378 656327502 /nfs/dbraw/zinc/32/75/02/656327502.db2.gz SGZOZNXLAVWPPZ-DEOSSOPVSA-N 1 0 391.559 1.858 20 0 GDADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872443336 656328561 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GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cccc(C(=O)N(C)C)c2)s1 ZINC000921915830 656427366 /nfs/dbraw/zinc/42/73/66/656427366.db2.gz BQFZYOOTBKGKLX-UHFFFAOYSA-N 1 0 381.523 1.826 20 0 GDADRO CN(C)C(=O)c1cccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000921915899 656427395 /nfs/dbraw/zinc/42/73/95/656427395.db2.gz NOFGEVJWIHZSBD-UHFFFAOYSA-N 1 0 381.523 1.860 20 0 GDADRO CCn1c(CNC[C@](C)(O)C[NH+](C)C)nc(Br)c1Br ZINC000921930450 656429756 /nfs/dbraw/zinc/42/97/56/656429756.db2.gz NFEFZDLILGJCOY-LBPRGKRZSA-N 1 0 398.143 1.830 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC000873973884 656435239 /nfs/dbraw/zinc/43/52/39/656435239.db2.gz SETJMBWXKXROSW-JTQLQIEISA-N 1 0 375.803 1.518 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000874174042 656448382 /nfs/dbraw/zinc/44/83/82/656448382.db2.gz QAODQTVUCZKNNK-ABAIWWIYSA-N 1 0 396.285 1.949 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1Br ZINC000874173825 656448418 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CC(C)OC[C@@H](C)[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000922413735 656475436 /nfs/dbraw/zinc/47/54/36/656475436.db2.gz LTNDVJXMROSOEV-CABCVRRESA-N 1 0 378.535 1.814 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)sc1S(N)(=O)=O ZINC000874829782 656489759 /nfs/dbraw/zinc/48/97/59/656489759.db2.gz OCGRTQXQCIDKEU-NXEZZACHSA-N 1 0 377.919 1.666 20 0 GDADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000874840688 656489968 /nfs/dbraw/zinc/48/99/68/656489968.db2.gz QMDYZSRMCMAHGO-MNOVXSKESA-N 1 0 377.919 1.375 20 0 GDADRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000922534626 656490091 /nfs/dbraw/zinc/49/00/91/656490091.db2.gz BCATYPXQKDKQGH-KRWDZBQOSA-N 1 0 395.301 1.418 20 0 GDADRO CO[C@]1(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CCS(=O)(=O)C1 ZINC000922617355 656496299 /nfs/dbraw/zinc/49/62/99/656496299.db2.gz LCMUEOWHTMFADZ-AWEZNQCLSA-N 1 0 381.420 1.532 20 0 GDADRO CCO[C@@H](CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C[NH+](C)C ZINC000922760147 656506973 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PIQOTPFDGXRUEW-CHWSQXEVSA-N 1 0 382.302 1.851 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926351628 656749029 /nfs/dbraw/zinc/74/90/29/656749029.db2.gz RNHNYQANPGAEBX-CYBMUJFWSA-N 1 0 382.302 1.913 20 0 GDADRO [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)C1 ZINC000926387505 656750976 /nfs/dbraw/zinc/75/09/76/656750976.db2.gz QEDMUNOGCVQGMO-QGZVFWFLSA-N 1 0 386.279 1.190 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000878860012 656754007 /nfs/dbraw/zinc/75/40/07/656754007.db2.gz XFPJEDNWWUFCPQ-KGLIPLIRSA-N 1 0 385.555 1.388 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)CC2 ZINC000926439529 656755316 /nfs/dbraw/zinc/75/53/16/656755316.db2.gz ICIHIFNVHYDKQV-GOSISDBHSA-N 1 0 394.313 1.840 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)CC2 ZINC000926440673 656755894 /nfs/dbraw/zinc/75/58/94/656755894.db2.gz VLJVDHIPVYVSKS-WBMJQRKESA-N 1 0 394.313 1.838 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N1CC[C@@H](C[NH3+])C1)CC2 ZINC000926440532 656755909 /nfs/dbraw/zinc/75/59/09/656755909.db2.gz SEEYMIZQNCAVAO-LBPRGKRZSA-N 1 0 380.286 1.449 20 0 GDADRO Cn1nnnc1CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000878888840 656756487 /nfs/dbraw/zinc/75/64/87/656756487.db2.gz VUOOVQYMSNPUIJ-SCZZXKLOSA-N 1 0 379.100 1.581 20 0 GDADRO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926512169 656759604 /nfs/dbraw/zinc/75/96/04/656759604.db2.gz KMVYCLDZFGVOEM-IHRRRGAJSA-N 1 0 377.551 1.938 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)NC[C@]2([NH+](C)C)CCSC2)cs1)C(N)=O ZINC000879080205 656772578 /nfs/dbraw/zinc/77/25/78/656772578.db2.gz ZIQFQZKYTLMXBF-MEBBXXQBSA-N 1 0 388.584 1.205 20 0 GDADRO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)s1 ZINC000926617573 656774831 /nfs/dbraw/zinc/77/48/31/656774831.db2.gz YBTAVRCEYHQXGV-GHMZBOCLSA-N 1 0 375.516 1.640 20 0 GDADRO C[N@H+](CCNC(=O)Nc1cc(F)c(Br)c(F)c1)CCOCCO ZINC000879105642 656774867 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385.302 1.692 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@H]21 ZINC000879577560 656806778 /nfs/dbraw/zinc/80/67/78/656806778.db2.gz YGQQWKPXBNKDEO-IUODEOHRSA-N 1 0 377.286 1.983 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)Nc3cc(Br)nn3C)CC2)c1 ZINC000879645256 656816143 /nfs/dbraw/zinc/81/61/43/656816143.db2.gz LHHAOTFMHIHKJD-UHFFFAOYSA-N 1 0 395.261 1.940 20 0 GDADRO Cn1cc(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000927626107 656818040 /nfs/dbraw/zinc/81/80/40/656818040.db2.gz HQBNLNYYEJOICE-KRWDZBQOSA-N 1 0 393.285 1.436 20 0 GDADRO OC[C@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1CO ZINC000879696943 656820524 /nfs/dbraw/zinc/82/05/24/656820524.db2.gz VZFYAYBMJXLUKS-OKILXGFUSA-N 1 0 378.270 1.939 20 0 GDADRO Cc1c(C)c(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])ccc1I ZINC000927792605 656838491 /nfs/dbraw/zinc/83/84/91/656838491.db2.gz JYABAQYXTOJSKQ-QMMMGPOBSA-N 1 0 389.237 1.652 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000927817105 656842320 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GDADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 ZINC000880057624 656860840 /nfs/dbraw/zinc/86/08/40/656860840.db2.gz COGMZKXBSXOWDJ-UONOGXRCSA-N 1 0 387.571 1.824 20 0 GDADRO Cn1cc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(Br)n1 ZINC000880064777 656864203 /nfs/dbraw/zinc/86/42/03/656864203.db2.gz FHWUXFMGVGAQAU-GFCCVEGCSA-N 1 0 386.294 1.948 20 0 GDADRO CSc1ccc([C@@H](CNC(=O)CN2CCCCS2(=O)=O)[NH+](C)C)cc1 ZINC000880147076 656870745 /nfs/dbraw/zinc/87/07/45/656870745.db2.gz RZDGPUPDSGENAB-MRXNPFEDSA-N 1 0 385.555 1.553 20 0 GDADRO Cn1ncc(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c1I ZINC000880612095 656900068 /nfs/dbraw/zinc/90/00/68/656900068.db2.gz HNVDDXGFNKMPSW-LLVKDONJSA-N 1 0 390.269 1.827 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cs1)C(N)=O ZINC000880612292 656900126 /nfs/dbraw/zinc/90/01/26/656900126.db2.gz DGSUQTAXGSXYCB-DGCLKSJQSA-N 1 0 384.571 1.840 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)cs1)C(N)=O ZINC000880608050 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GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000884512157 657362142 /nfs/dbraw/zinc/36/21/42/657362142.db2.gz ZEINTFSXPUPKMT-RYUDHWBXSA-N 1 0 382.302 1.791 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NCCc1ccc(Br)cc1)C2 ZINC000884515394 657362223 /nfs/dbraw/zinc/36/22/23/657362223.db2.gz HHKQURMAZYXEKW-SUMWQHHRSA-N 1 0 380.286 1.176 20 0 GDADRO C[C@@](CO)([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1cccc(Br)c1 ZINC000934494991 657363309 /nfs/dbraw/zinc/36/33/09/657363309.db2.gz AVEQHXFFIIGJOW-INIZCTEOSA-N 1 0 377.242 1.782 20 0 GDADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934497978 657364123 /nfs/dbraw/zinc/36/41/23/657364123.db2.gz UULFSODTSIBYOD-QGZVFWFLSA-N 1 0 395.301 1.638 20 0 GDADRO C[C@](CO)([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000934497435 657364156 /nfs/dbraw/zinc/36/41/56/657364156.db2.gz LMJCKQBJTHDPSS-IXDOHACOSA-N 1 0 388.302 1.803 20 0 GDADRO Cc1csc([C@H](C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)n1 ZINC000884569376 657365607 /nfs/dbraw/zinc/36/56/07/657365607.db2.gz LNMRSWDVADGSBB-IEBDPFPHSA-N 1 0 378.420 1.267 20 0 GDADRO COC[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000884680955 657370975 /nfs/dbraw/zinc/37/09/75/657370975.db2.gz HIRQYRQGSAYORD-IUODEOHRSA-N 1 0 398.301 1.369 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1cccc(Br)c1 ZINC000884716902 657375048 /nfs/dbraw/zinc/37/50/48/657375048.db2.gz MFEPZZZTBGLSSR-DFBGVHRSSA-N 1 0 398.301 1.367 20 0 GDADRO CC(C)([NH3+])CCNC(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000884799648 657380369 /nfs/dbraw/zinc/38/03/69/657380369.db2.gz FDGKCGOJYFXVAS-UHFFFAOYSA-N 1 0 392.244 1.901 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Br)c1 ZINC000884820281 657381350 /nfs/dbraw/zinc/38/13/50/657381350.db2.gz NJUQFHVBPKQIHH-UGFHNGPFSA-N 1 0 398.301 1.510 20 0 GDADRO C[N@H+](C[C@@H](O)CN[C@H](CO)c1ccccc1I)C1CC1 ZINC000934828345 657381437 /nfs/dbraw/zinc/38/14/37/657381437.db2.gz OVVTUTNETWEOIE-SWLSCSKDSA-N 1 0 390.265 1.369 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000884823856 657381759 /nfs/dbraw/zinc/38/17/59/657381759.db2.gz ICVDIGIOSNKDJQ-SMDDNHRTSA-N 1 0 380.286 1.464 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000884951471 657389649 /nfs/dbraw/zinc/38/96/49/657389649.db2.gz DYCOVMKNKFHUFD-VXGBXAGGSA-N 1 0 391.490 1.102 20 0 GDADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CCSC[C@H]2c2nccs2)C1 ZINC000884966925 657391706 /nfs/dbraw/zinc/39/17/06/657391706.db2.gz XJKGDVHVOFMJKU-STQMWFEESA-N 1 0 382.555 1.654 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000935050827 657395605 /nfs/dbraw/zinc/39/56/05/657395605.db2.gz GNOHHQAOAOXXJQ-MEDUHNTESA-N 1 0 384.274 1.304 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(Br)cnc1Br ZINC000935052854 657396192 /nfs/dbraw/zinc/39/61/92/657396192.db2.gz WCWNIYCEIYTZMY-LBPRGKRZSA-N 1 0 395.095 1.649 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)C[C@H]2CCCC(C)(C)O2)CC1 ZINC000885032723 657411102 /nfs/dbraw/zinc/41/11/02/657411102.db2.gz CLMCDJVTFRNPCU-IAGOWNOFSA-N 1 0 375.579 1.527 20 0 GDADRO CCCN(C(=O)C(=O)NCc1ccc(C)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000885095902 657418004 /nfs/dbraw/zinc/41/80/04/657418004.db2.gz CXPPRSZXUBNYQF-AWEZNQCLSA-N 1 0 382.302 1.974 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCc1sccc1Br ZINC000885210287 657429204 /nfs/dbraw/zinc/42/92/04/657429204.db2.gz PFJBXINWHVCRIM-ZYHUDNBSSA-N 1 0 388.331 1.898 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000885241940 657433497 /nfs/dbraw/zinc/43/34/97/657433497.db2.gz RIHMRJWOQHCVRM-UHFFFAOYSA-N 1 0 382.180 1.501 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000885251565 657435368 /nfs/dbraw/zinc/43/53/68/657435368.db2.gz KIHMJZXYZJDYSV-NSHDSACASA-N 1 0 394.273 1.057 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000885250809 657435465 /nfs/dbraw/zinc/43/54/65/657435465.db2.gz AJEWGNDLYYYNOU-UHFFFAOYSA-N 1 0 394.273 1.058 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccccc2[S@@](=O)C(F)(F)F)C1 ZINC000935680343 657466400 /nfs/dbraw/zinc/46/64/00/657466400.db2.gz PPJSHRXWLSETKZ-ODCWNRFASA-N 1 0 378.416 1.843 20 0 GDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1(n2cc(Br)cn2)CC1 ZINC000935701084 657470855 /nfs/dbraw/zinc/47/08/55/657470855.db2.gz YLGZUPZWGCPVEQ-CYBMUJFWSA-N 1 0 397.317 1.846 20 0 GDADRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cnc1Br ZINC000935973088 657532652 /nfs/dbraw/zinc/53/26/52/657532652.db2.gz YZNRTSHNINVJDD-AWEZNQCLSA-N 1 0 395.301 1.577 20 0 GDADRO O=C(c1nc(Br)c2ccccn21)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000935980965 657534093 /nfs/dbraw/zinc/53/40/93/657534093.db2.gz NFQMIFDRBHBIIT-RYUDHWBXSA-N 1 0 379.258 1.378 20 0 GDADRO C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)c1ccc(I)cc1 ZINC000935980274 657534525 /nfs/dbraw/zinc/53/45/25/657534525.db2.gz GOYXNRMSXUERRP-MFKMUULPSA-N 1 0 376.238 1.433 20 0 GDADRO Cn1cc(Br)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1=O ZINC000885895896 657585408 /nfs/dbraw/zinc/58/54/08/657585408.db2.gz PMWIBGYMAAGOJQ-LBPRGKRZSA-N 1 0 384.274 1.131 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)C1(n2cc(Br)cn2)CC1 ZINC000885895675 657585737 /nfs/dbraw/zinc/58/57/37/657585737.db2.gz JZGWAWNTQGWPEG-CQSZACIVSA-N 1 0 383.290 1.504 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)c3nc(Cl)cs3)[C@H](C)C2)CC[N@@H+]1C ZINC000994495631 657607138 /nfs/dbraw/zinc/60/71/38/657607138.db2.gz WRHQSPJXMYFPOC-FDYHWXHSSA-N 1 0 384.933 1.961 20 0 GDADRO Cc1cc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)ccc1Br ZINC000886283898 657635790 /nfs/dbraw/zinc/63/57/90/657635790.db2.gz KAJDVKJWLNMTLP-UHFFFAOYSA-N 1 0 376.258 1.831 20 0 GDADRO Cn1ccn2c(CC[NH2+]Cc3ccc(F)c(Br)c3)nnc2c1=O ZINC000886285838 657636827 /nfs/dbraw/zinc/63/68/27/657636827.db2.gz UCMIHEMVSHJDFN-UHFFFAOYSA-N 1 0 380.221 1.662 20 0 GDADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(Cl)n1)C2)C1CC1 ZINC001000373109 657670384 /nfs/dbraw/zinc/67/03/84/657670384.db2.gz UHWGYMNHPRRTLZ-XWUBHJNHSA-N 1 0 382.917 1.998 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000886736608 657686928 /nfs/dbraw/zinc/68/69/28/657686928.db2.gz FUPDCKNHNJJYBW-AWEZNQCLSA-N 1 0 375.535 1.790 20 0 GDADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886736629 657686956 /nfs/dbraw/zinc/68/69/56/657686956.db2.gz GDIFPCPKLOIUDU-UONOGXRCSA-N 1 0 375.535 1.646 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2scnc2Cl)C3)C1 ZINC001002859145 657695946 /nfs/dbraw/zinc/69/59/46/657695946.db2.gz YOCQSUSJPUNUFM-LOWDOPEQSA-N 1 0 382.917 2.000 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000886891743 657720469 /nfs/dbraw/zinc/72/04/69/657720469.db2.gz FQSWNXPDXPXIGE-AWEZNQCLSA-N 1 0 387.571 1.825 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH3+])Cc2cccc(Cl)c2)cn1C ZINC000886894276 657721117 /nfs/dbraw/zinc/72/11/17/657721117.db2.gz DUFDZAYPBAXFMK-UHFFFAOYSA-N 1 0 385.873 1.615 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886896937 657723430 /nfs/dbraw/zinc/72/34/30/657723430.db2.gz ZNADSFRWOWQNNR-SNVBAGLBSA-N 1 0 382.816 1.650 20 0 GDADRO CCOC(=O)c1cc(F)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886897551 657724068 /nfs/dbraw/zinc/72/40/68/657724068.db2.gz AGLKHZOLFBJRGL-LLVKDONJSA-N 1 0 380.388 1.526 20 0 GDADRO COC(=O)c1cc(C)c(F)c(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886898175 657724833 /nfs/dbraw/zinc/72/48/33/657724833.db2.gz TUAVCKMUYRIWJT-LLVKDONJSA-N 1 0 380.388 1.444 20 0 GDADRO COC[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCCOC1 ZINC000886910090 657726964 /nfs/dbraw/zinc/72/69/64/657726964.db2.gz LDKBFQNFFICAGJ-WFASDCNBSA-N 1 0 396.285 1.988 20 0 GDADRO CS(=O)(=O)NCc1ccc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886933941 657728005 /nfs/dbraw/zinc/72/80/05/657728005.db2.gz GYAGAJUGCVKEST-GFCCVEGCSA-N 1 0 376.429 1.102 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)Nc1ccc(F)c(Br)c1 ZINC000887034166 657740463 /nfs/dbraw/zinc/74/04/63/657740463.db2.gz KTDZDTPJSFHILW-MRVPVSSYSA-N 1 0 394.191 1.888 20 0 GDADRO CCN(C(=O)C(=O)N(C)C[C@@H](O)c1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000887070845 657751625 /nfs/dbraw/zinc/75/16/25/657751625.db2.gz UTULDLUQXWPOMX-SWLSCSKDSA-N 1 0 398.301 1.151 20 0 GDADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000887077302 657752091 /nfs/dbraw/zinc/75/20/91/657752091.db2.gz IZSBDVLYKYOORG-GJZGRUSLSA-N 1 0 381.929 1.839 20 0 GDADRO [NH3+][C@@H]1CCCN(Cc2cn(-c3cccc(I)c3)nn2)C1 ZINC000887409771 657781146 /nfs/dbraw/zinc/78/11/46/657781146.db2.gz WOODDUSFBGNYIF-GFCCVEGCSA-N 1 0 383.237 1.795 20 0 GDADRO COc1cc(Cn2cc(CN3CCC[C@H]([NH3+])C3)nn2)c(Br)cn1 ZINC000887444212 657783175 /nfs/dbraw/zinc/78/31/75/657783175.db2.gz ANASHEXIWPYPRD-LBPRGKRZSA-N 1 0 381.278 1.416 20 0 GDADRO O=C(c1nc(C2CC2)ncc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889741863 658025213 /nfs/dbraw/zinc/02/52/13/658025213.db2.gz GLGFAXWEUFPMCH-KBPBESRZSA-N 1 0 395.301 1.788 20 0 GDADRO O=C(N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1(c2cncc(Br)c2)CC1 ZINC000889755611 658031820 /nfs/dbraw/zinc/03/18/20/658031820.db2.gz JFKFLWTXAFRSEJ-JKSUJKDBSA-N 1 0 394.313 1.933 20 0 GDADRO O=C(c1c[nH]c2ncc(Br)cc12)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889755559 658032184 /nfs/dbraw/zinc/03/21/84/658032184.db2.gz IOKVALGIFGLAFK-LSDHHAIUSA-N 1 0 393.285 1.997 20 0 GDADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889773685 658036322 /nfs/dbraw/zinc/03/63/22/658036322.db2.gz KPMAYIWXBUXOIZ-NEPJUHHUSA-N 1 0 383.290 1.721 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)N[C@@](C)(CO)c2cccc(Br)c2)cn1 ZINC000890630941 658132987 /nfs/dbraw/zinc/13/29/87/658132987.db2.gz XHOOLLOFZFSGCD-KRWDZBQOSA-N 1 0 395.301 1.845 20 0 GDADRO C[N@H+](CC(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1)[C@H]1CCSC1 ZINC000890862696 658155617 /nfs/dbraw/zinc/15/56/17/658155617.db2.gz RORVXLURMQNBBZ-HNNXBMFYSA-N 1 0 383.539 1.644 20 0 GDADRO CCN(C(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000891401560 658235322 /nfs/dbraw/zinc/23/53/22/658235322.db2.gz OSACDQJGMUHKJO-AWEZNQCLSA-N 1 0 383.290 1.572 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000891473016 658243411 /nfs/dbraw/zinc/24/34/11/658243411.db2.gz PTTWMUBJQDMYQQ-YEORSEQZSA-N 1 0 383.290 1.606 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000891697140 658266490 /nfs/dbraw/zinc/26/64/90/658266490.db2.gz WUQGXOOGNDKDBS-IUODEOHRSA-N 1 0 397.317 1.917 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)s1 ZINC000891841035 658277423 /nfs/dbraw/zinc/27/74/23/658277423.db2.gz MDDGDDOQOXAYMD-AWEZNQCLSA-N 1 0 379.507 1.665 20 0 GDADRO CN(C(=O)NCCn1cc(Br)ccc1=O)C1(C[NH3+])CCCCC1 ZINC000891925191 658283216 /nfs/dbraw/zinc/28/32/16/658283216.db2.gz UGPZUFUWYPHJAW-UHFFFAOYSA-N 1 0 385.306 1.914 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000891973404 658287522 /nfs/dbraw/zinc/28/75/22/658287522.db2.gz UCQJVHNHADFJEH-PMPSAXMXSA-N 1 0 379.302 1.292 20 0 GDADRO O=S(=O)(NCC[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2)c1cccc(Cl)c1 ZINC000892696322 658343764 /nfs/dbraw/zinc/34/37/64/658343764.db2.gz HPFVQRCCENDVHN-HUUCEWRRSA-N 1 0 392.880 1.842 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)NCc2ncc(Cl)s2)C1)[C@H]1CCC[NH2+]1 ZINC000892712101 658345480 /nfs/dbraw/zinc/34/54/80/658345480.db2.gz RBGGPRDZRMPKAV-NWDGAFQWSA-N 1 0 385.921 1.586 20 0 GDADRO CC(C)([NH3+])CCNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000892855136 658354701 /nfs/dbraw/zinc/35/47/01/658354701.db2.gz YQCWHRBQBXBHTI-CYBMUJFWSA-N 1 0 383.290 1.759 20 0 GDADRO CC(=O)OC[C@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000892872701 658356618 /nfs/dbraw/zinc/35/66/18/658356618.db2.gz FQTFTTUPOFTNGD-GWCFXTLKSA-N 1 0 393.221 1.572 20 0 GDADRO COC(=O)c1c[nH]c(C[NH2+]CCS(=O)(=O)N2CCSCC2)c1C1CC1 ZINC000892904610 658359208 /nfs/dbraw/zinc/35/92/08/658359208.db2.gz ADYNMGXPTKBQEC-UHFFFAOYSA-N 1 0 387.527 1.147 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000892951018 658362603 /nfs/dbraw/zinc/36/26/03/658362603.db2.gz QNGPUDRUQJJDGY-GFCCVEGCSA-N 1 0 382.477 1.034 20 0 GDADRO O=S1CCC([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000893214422 658385835 /nfs/dbraw/zinc/38/58/35/658385835.db2.gz TVIPWRMJKHHYLA-UHFFFAOYSA-N 1 0 385.429 1.860 20 0 GDADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000893223963 658386765 /nfs/dbraw/zinc/38/67/65/658386765.db2.gz SOMDFUCENWWNML-LLVKDONJSA-N 1 0 380.436 1.538 20 0 GDADRO C[C@@H]1C[N@H+](CCCOC(=O)c2cc(I)nn2C)CCO1 ZINC000893386072 658399182 /nfs/dbraw/zinc/39/91/82/658399182.db2.gz LHTVQTRJOFXZJM-SNVBAGLBSA-N 1 0 393.225 1.292 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000893573390 658423048 /nfs/dbraw/zinc/42/30/48/658423048.db2.gz OJNBFSGPHDWTIO-WMLDXEAASA-N 1 0 375.535 1.777 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CCC(S(N)(=O)=O)CC2)C1 ZINC000893904671 658474538 /nfs/dbraw/zinc/47/45/38/658474538.db2.gz INNYVRMEAIPHRP-QGZVFWFLSA-N 1 0 375.535 1.777 20 0 GDADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000894021089 658493460 /nfs/dbraw/zinc/49/34/60/658493460.db2.gz CJXJULATCVFQLM-CABCVRRESA-N 1 0 378.510 1.802 20 0 GDADRO COC(=O)[C@H]1CC12CC[NH+](Cc1c(I)cnn1C)CC2 ZINC000894028999 658496881 /nfs/dbraw/zinc/49/68/81/658496881.db2.gz WXYLCKOILWYQAB-SNVBAGLBSA-N 1 0 389.237 1.800 20 0 GDADRO Cn1cc(C[NH2+]CCc2cccc(C(N)=O)c2)c(I)n1 ZINC000894136888 658511165 /nfs/dbraw/zinc/51/11/65/658511165.db2.gz FQDPYLCHDRMFGQ-UHFFFAOYSA-N 1 0 384.221 1.456 20 0 GDADRO Cn1cc(C[NH2+]CCCN2CCCCCC2=O)c(I)n1 ZINC000894148167 658512045 /nfs/dbraw/zinc/51/20/45/658512045.db2.gz VSRRQWRQYKGYOM-UHFFFAOYSA-N 1 0 390.269 1.907 20 0 GDADRO Cn1cc(C[NH2+]C[C@H](CO)Cc2ccccc2)c(I)n1 ZINC000894199655 658519551 /nfs/dbraw/zinc/51/95/51/658519551.db2.gz BKFHZZMHVLNCFY-CYBMUJFWSA-N 1 0 385.249 1.966 20 0 GDADRO C[C@H]([NH2+]Cc1cn(C)nc1I)[C@H](C)N1CCOCC1 ZINC000894245408 658526822 /nfs/dbraw/zinc/52/68/22/658526822.db2.gz BIFYYJHXVGCPOA-QWRGUYRKSA-N 1 0 378.258 1.224 20 0 GDADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000894251007 658527879 /nfs/dbraw/zinc/52/78/79/658527879.db2.gz DOEQQRKEYWLASO-GHMZBOCLSA-N 1 0 398.909 1.170 20 0 GDADRO COC(=O)[C@@H]1[C@H](C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)C1(F)F ZINC000894280845 658532285 /nfs/dbraw/zinc/53/22/85/658532285.db2.gz KETJTMCZMWRALW-GAFUQQFSSA-N 1 0 377.771 1.789 20 0 GDADRO Cn1cc(C[NH2+]CCCOC[C@H]2CCOC2)c(I)n1 ZINC000894296883 658535369 /nfs/dbraw/zinc/53/53/69/658535369.db2.gz LLZDIKSAFCMJSQ-LLVKDONJSA-N 1 0 379.242 1.558 20 0 GDADRO Cc1cc(N2CCC([NH2+]Cc3nc(Br)nn3C)CC2)nc(C)n1 ZINC000894394644 658550687 /nfs/dbraw/zinc/55/06/87/658550687.db2.gz ZBOOGLOAFQHPGM-UHFFFAOYSA-N 1 0 380.294 1.743 20 0 GDADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H]1C[C@@]1(C)Br ZINC000894604461 658590151 /nfs/dbraw/zinc/59/01/51/658590151.db2.gz ATOUIYQWKUOUQN-SMDDNHRTSA-N 1 0 377.304 1.818 20 0 GDADRO Cc1[nH+]c2cc(NCc3cc(Br)nn3C)ccc2n1C(CO)CO ZINC000894923829 658635381 /nfs/dbraw/zinc/63/53/81/658635381.db2.gz ZBJULFNTNKLHAY-UHFFFAOYSA-N 1 0 394.273 1.979 20 0 GDADRO CCCN1C[C@H](C[NH2+]Cc2c(I)cnn2C)CC1=O ZINC000895029390 658651249 /nfs/dbraw/zinc/65/12/49/658651249.db2.gz FSOYXHGMQGCHMY-JTQLQIEISA-N 1 0 376.242 1.373 20 0 GDADRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1S(C)(=O)=O ZINC000895509520 658706210 /nfs/dbraw/zinc/70/62/10/658706210.db2.gz VBGZBZQGYRCECD-SWLSCSKDSA-N 1 0 381.372 1.493 20 0 GDADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cccc(I)c1 ZINC000895768555 658727440 /nfs/dbraw/zinc/72/74/40/658727440.db2.gz INRJSVACELHORF-ZDUSSCGKSA-N 1 0 386.233 1.676 20 0 GDADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000895772647 658727967 /nfs/dbraw/zinc/72/79/67/658727967.db2.gz TVXYKWSKSVPGPN-HNNXBMFYSA-N 1 0 381.270 1.769 20 0 GDADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc(I)cc1 ZINC000895770773 658728143 /nfs/dbraw/zinc/72/81/43/658728143.db2.gz XKIWQZQDCSUGGT-ZDUSSCGKSA-N 1 0 386.233 1.676 20 0 GDADRO C[C@H]1C[C@H]([NH2+]CC2(S(=O)(=O)N(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000895809984 658730784 /nfs/dbraw/zinc/73/07/84/658730784.db2.gz DWSKNLIRPIUWGT-KBPBESRZSA-N 1 0 375.535 1.646 20 0 GDADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3nn4c(c3Br)CCC4)C2)CC1 ZINC000896325759 658768527 /nfs/dbraw/zinc/76/85/27/658768527.db2.gz SIBRCBWZZUYRPB-GFCCVEGCSA-N 1 0 396.333 1.490 20 0 GDADRO Cn1nc(Br)c2c1ncnc2NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896519900 658783180 /nfs/dbraw/zinc/78/31/80/658783180.db2.gz ZFZIHRPXYIUTLM-LLVKDONJSA-N 1 0 381.278 1.791 20 0 GDADRO C[C@H](NC(=O)COc1ccc(F)cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896582631 658791912 /nfs/dbraw/zinc/79/19/12/658791912.db2.gz VIIVMUYLYWMRPH-FZMZJTMJSA-N 1 0 388.281 1.718 20 0 GDADRO C[C@@H]1[C@H](NC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)CC[N@@H+]1C ZINC000896615896 658797416 /nfs/dbraw/zinc/79/74/16/658797416.db2.gz CQPZQFVAEKJZSO-GGZOMVNGSA-N 1 0 382.262 1.099 20 0 GDADRO C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](CO)c1ccccc1I ZINC000896621805 658798223 /nfs/dbraw/zinc/79/82/23/658798223.db2.gz XYOSZFOOGFDPGN-ZWNOBZJWSA-N 1 0 389.237 1.328 20 0 GDADRO C[N@@H+]1CC[C@H]1CNC(=O)N[C@H](CO)c1ccccc1I ZINC000896621803 658798354 /nfs/dbraw/zinc/79/83/54/658798354.db2.gz XYOSZFOOGFDPGN-GXFFZTMASA-N 1 0 389.237 1.328 20 0 GDADRO NS(=O)(=O)c1cccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000896911380 658813578 /nfs/dbraw/zinc/81/35/78/658813578.db2.gz CPWRPEOBUSRXAT-UHFFFAOYSA-N 1 0 385.287 1.572 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897016051 658819100 /nfs/dbraw/zinc/81/91/00/658819100.db2.gz MTMNKKJDMGEYSS-ZIAGYGMSSA-N 1 0 399.285 1.026 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)C1 ZINC000897052665 658821109 /nfs/dbraw/zinc/82/11/09/658821109.db2.gz MJCAXJYOZOSILK-YOEHRIQHSA-N 1 0 375.535 1.634 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(C3(O)CCC3)CC2)cc1Br ZINC000897524752 658860719 /nfs/dbraw/zinc/86/07/19/658860719.db2.gz CQDYHUSUSVUVOD-UHFFFAOYSA-N 1 0 389.315 1.881 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000897663811 658877877 /nfs/dbraw/zinc/87/78/77/658877877.db2.gz NFBVKMPCSJTXIX-CYBMUJFWSA-N 1 0 375.441 1.232 20 0 GDADRO Nc1nc(-n2cccn2)cc(N[C@@H]2CCc3ncc(Br)n3C2)[nH+]1 ZINC000897757126 658887434 /nfs/dbraw/zinc/88/74/34/658887434.db2.gz ILIYPHNBAFMYAF-SECBINFHSA-N 1 0 375.234 1.630 20 0 GDADRO Cn1cc(C(=O)NCc2ccncc2OCCC[NH+](C)C)c(Br)n1 ZINC000897781564 658889821 /nfs/dbraw/zinc/88/98/21/658889821.db2.gz AVQUKZZQHYJEBJ-UHFFFAOYSA-N 1 0 396.289 1.838 20 0 GDADRO Cn1cc([C@@]2(C[NH2+]Cc3ccc(S(N)(=O)=O)c(Cl)c3)CCCO2)cn1 ZINC000898053281 658912988 /nfs/dbraw/zinc/91/29/88/658912988.db2.gz WYCCNGVYKFXMIJ-INIZCTEOSA-N 1 0 384.889 1.516 20 0 GDADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898149287 658917634 /nfs/dbraw/zinc/91/76/34/658917634.db2.gz AQIWIGVDMJJOKX-LBPRGKRZSA-N 1 0 380.246 1.717 20 0 GDADRO Cc1nn2c(C[NH2+][C@@H]3CCN(c4cn[nH]c(=O)c4Cl)C3)c(C)nc2s1 ZINC000898364417 658928793 /nfs/dbraw/zinc/92/87/93/658928793.db2.gz LETXWCCZWGFRNE-SNVBAGLBSA-N 1 0 379.877 1.925 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2c[nH]nc2Br)CC1=O ZINC000898473481 658936838 /nfs/dbraw/zinc/93/68/38/658936838.db2.gz ICWUJUPWZLRFQP-QWRGUYRKSA-N 1 0 384.278 1.444 20 0 GDADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@H]1C[C@@]1(C)Br)CCS2(=O)=O ZINC000898486380 658937559 /nfs/dbraw/zinc/93/75/59/658937559.db2.gz CQRWQQAGNYTKNA-FVZKQIOHSA-N 1 0 394.331 1.649 20 0 GDADRO Cn1cc(I)c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)n1 ZINC000898826083 658960340 /nfs/dbraw/zinc/96/03/40/658960340.db2.gz MNKHULRJYDJQDB-WDEREUQCSA-N 1 0 388.253 1.627 20 0 GDADRO Cn1ncc(I)c1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898831765 658960828 /nfs/dbraw/zinc/96/08/28/658960828.db2.gz UPNDTFXVLMOAIE-QWRGUYRKSA-N 1 0 388.253 1.627 20 0 GDADRO C[NH+](C)CCCNC(=S)N1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000899608141 659035025 /nfs/dbraw/zinc/03/50/25/659035025.db2.gz OXIBMNBIZGXQDC-UHFFFAOYSA-N 1 0 376.592 1.093 20 0 GDADRO C[N@H+](CCO)CCNC(=O)c1cc(Cl)ccc1I ZINC000899732350 659056004 /nfs/dbraw/zinc/05/60/04/659056004.db2.gz WEWFDGTYRSSCSN-UHFFFAOYSA-N 1 0 382.629 1.599 20 0 GDADRO CN(C(=O)Cn1nc(Br)c(Br)n1)C1CC[NH+](C)CC1 ZINC000899909134 659065382 /nfs/dbraw/zinc/06/53/82/659065382.db2.gz KXHPXOIQZSWUGB-UHFFFAOYSA-N 1 0 395.099 1.356 20 0 GDADRO CCC[NH+]1CCC(N(C)C(=O)c2nn(C)cc2I)CC1 ZINC000900321888 659099677 /nfs/dbraw/zinc/09/96/77/659099677.db2.gz BYQBDIQLSPWRFZ-UHFFFAOYSA-N 1 0 390.269 1.971 20 0 GDADRO CN1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1=O ZINC000900418124 659105939 /nfs/dbraw/zinc/10/59/39/659105939.db2.gz OXLLKCHWNCYQAK-HNNXBMFYSA-N 1 0 398.301 1.197 20 0 GDADRO COC(=O)[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000900430868 659106706 /nfs/dbraw/zinc/10/67/06/659106706.db2.gz VMULXTDDCUICPD-GJZGRUSLSA-N 1 0 397.269 1.500 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900501543 659115173 /nfs/dbraw/zinc/11/51/73/659115173.db2.gz PLWLTCXESWJSNO-CXAGYDPISA-N 1 0 398.301 1.657 20 0 GDADRO COC(=O)c1cc(Br)c(Cn2cc(CCC[NH3+])nn2)cc1OC ZINC000900596035 659125325 /nfs/dbraw/zinc/12/53/25/659125325.db2.gz ZFEHOQAAFQUMRW-UHFFFAOYSA-N 1 0 383.246 1.775 20 0 GDADRO [NH3+][C@@H](c1cn(C[C@@H]2C[C@H]3COC[C@H]3O2)nn1)c1ccc(Br)cc1 ZINC000900623461 659127983 /nfs/dbraw/zinc/12/79/83/659127983.db2.gz URNYLBPGKBCOSZ-DDUYRFODSA-N 1 0 379.258 1.893 20 0 GDADRO CCn1c(Br)ncc1C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000900689969 659136671 /nfs/dbraw/zinc/13/66/71/659136671.db2.gz VDKBFKYGRXPTQP-UHFFFAOYSA-N 1 0 386.338 1.813 20 0 GDADRO C[C@H](NC(=O)c1c[nH]c2ncc(Br)cc12)[C@@H]1C[N@H+](C)CCN1C ZINC000900812832 659149255 /nfs/dbraw/zinc/14/92/55/659149255.db2.gz XFIMLGCZMQKKCA-HZMBPMFUSA-N 1 0 380.290 1.690 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)Cn2nc(Br)c(Br)n2)CC[N@@H+]1C ZINC000900829961 659151063 /nfs/dbraw/zinc/15/10/63/659151063.db2.gz FMTYTSQSPJNCOR-YUMQZZPRSA-N 1 0 395.099 1.402 20 0 GDADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCc2ncc(Br)n2C1 ZINC000900923967 659166246 /nfs/dbraw/zinc/16/62/46/659166246.db2.gz CJCNQZSGYWYVGJ-BBRMVZONSA-N 1 0 399.333 1.870 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc2ncc(Br)cn2n1 ZINC000900995089 659177938 /nfs/dbraw/zinc/17/79/38/659177938.db2.gz VKVVBLMLNOQENG-LBPRGKRZSA-N 1 0 384.278 1.578 20 0 GDADRO C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000902449259 659256555 /nfs/dbraw/zinc/25/65/55/659256555.db2.gz NGBPDDUZDAMRBM-IUODEOHRSA-N 1 0 389.543 1.061 20 0 GDADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2Cn1nnn(Cc2cccs2)c1=S ZINC000902641958 659269706 /nfs/dbraw/zinc/26/97/06/659269706.db2.gz CVQAZRAVGRBYPS-LSDHHAIUSA-N 1 0 380.543 1.407 20 0 GDADRO O=C1c2cc(Br)ccc2CN1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000902645749 659270170 /nfs/dbraw/zinc/27/01/70/659270170.db2.gz ZQNKXBUARGNHRP-DLBZAZTESA-N 1 0 394.313 1.893 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000903230416 659308805 /nfs/dbraw/zinc/30/88/05/659308805.db2.gz BJAHHAPIDVZRAF-PVAVHDDUSA-N 1 0 388.555 1.689 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903290942 659312556 /nfs/dbraw/zinc/31/25/56/659312556.db2.gz JYDDMOCGCPLWQR-GFCCVEGCSA-N 1 0 396.481 1.759 20 0 GDADRO C[C@H]([NH2+]Cc1ncc(Br)cn1)C1CCN(S(C)(=O)=O)CC1 ZINC000903323824 659313699 /nfs/dbraw/zinc/31/36/99/659313699.db2.gz LLZQDWIARHKYBZ-JTQLQIEISA-N 1 0 377.308 1.389 20 0 GDADRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903396021 659314560 /nfs/dbraw/zinc/31/45/60/659314560.db2.gz OKBQAWOITCHNQU-HUBLWGQQSA-N 1 0 376.500 1.098 20 0 GDADRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CCS(=O)(=O)C1 ZINC000903369683 659314655 /nfs/dbraw/zinc/31/46/55/659314655.db2.gz ZOBMCNNQXHERKJ-XHDPSFHLSA-N 1 0 379.475 1.084 20 0 GDADRO O=S(=O)(c1ccc(Br)s1)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903426371 659315571 /nfs/dbraw/zinc/31/55/71/659315571.db2.gz IQERONKQZSQCNT-LLVKDONJSA-N 1 0 394.360 1.569 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1F ZINC000903518816 659326181 /nfs/dbraw/zinc/32/61/81/659326181.db2.gz XZLOKDPUSXQEPT-RKDXNWHRSA-N 1 0 381.267 1.955 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903521123 659327692 /nfs/dbraw/zinc/32/76/92/659327692.db2.gz IQTUAQUQHIDOST-UHFFFAOYSA-N 1 0 388.555 1.784 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)c1Br ZINC000903522448 659328200 /nfs/dbraw/zinc/32/82/00/659328200.db2.gz FAYOVSJEULHTFD-UHFFFAOYSA-N 1 0 379.324 1.568 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903521696 659328330 /nfs/dbraw/zinc/32/83/30/659328330.db2.gz CSSDQFHODYOUKB-IUCAKERBSA-N 1 0 379.276 1.723 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903523183 659328644 /nfs/dbraw/zinc/32/86/44/659328644.db2.gz WLIXGSSQWKHTBQ-MWLCHTKSSA-N 1 0 391.287 1.819 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)CCCO1 ZINC000903523226 659328695 /nfs/dbraw/zinc/32/86/95/659328695.db2.gz YNYIJRBXXKHABF-NSHDSACASA-N 1 0 381.267 1.468 20 0 GDADRO O=S(=O)(Cc1cccc(Cl)c1Br)NC[C@H]1C[NH2+]CCCO1 ZINC000903522929 659328704 /nfs/dbraw/zinc/32/87/04/659328704.db2.gz ZBARTWBPYYWWBD-LLVKDONJSA-N 1 0 397.722 1.900 20 0 GDADRO COCCOc1ccc(S(=O)(=O)NCC2([NH3+])CC2)cc1Br ZINC000903523665 659329208 /nfs/dbraw/zinc/32/92/08/659329208.db2.gz LDXKWULXNGWHTL-UHFFFAOYSA-N 1 0 379.276 1.244 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903525702 659329942 /nfs/dbraw/zinc/32/99/42/659329942.db2.gz PJFSJJZLFQWDGB-WAAGHKOSSA-N 1 0 377.260 1.335 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903534998 659331990 /nfs/dbraw/zinc/33/19/90/659331990.db2.gz KZCAOJLYKHVCJP-OLZOCXBDSA-N 1 0 376.906 1.889 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])ccc1Cl ZINC000903536239 659332422 /nfs/dbraw/zinc/33/24/22/659332422.db2.gz BFQRTKZGWBBSGZ-IAQYHMDHSA-N 1 0 392.930 1.636 20 0 GDADRO Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903540927 659333673 /nfs/dbraw/zinc/33/36/73/659333673.db2.gz QOOJVIZGYJYQMY-ZIAGYGMSSA-N 1 0 382.452 1.256 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2CC[NH2+]CCC23CCOCC3)cc1F ZINC000903549440 659337732 /nfs/dbraw/zinc/33/77/32/659337732.db2.gz KHSQASPZGHKHKY-UHFFFAOYSA-N 1 0 376.425 1.507 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1Br ZINC000903569112 659343787 /nfs/dbraw/zinc/34/37/87/659343787.db2.gz CMNYHJOBNOFGTG-XYPYZODXSA-N 1 0 393.303 1.490 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCCC[NH2+]2)c(Br)o1 ZINC000903568351 659343976 /nfs/dbraw/zinc/34/39/76/659343976.db2.gz VQXQOQNHEYBQLM-VIFPVBQESA-N 1 0 395.275 1.639 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)ccc21 ZINC000903569405 659344304 /nfs/dbraw/zinc/34/43/04/659344304.db2.gz BXMKDZSWOUMPOH-CHWSQXEVSA-N 1 0 377.388 1.106 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ncccc2Br)CC[C@@H]1C(F)(F)F ZINC000903578148 659348794 /nfs/dbraw/zinc/34/87/94/659348794.db2.gz CHCGOIIEHWQDIH-IONNQARKSA-N 1 0 388.209 1.744 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Br)n1 ZINC000903581470 659351857 /nfs/dbraw/zinc/35/18/57/659351857.db2.gz MHZPQNGJCVZXSR-RQJHMYQMSA-N 1 0 391.213 1.083 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C[C@@H]1[NH3+] ZINC000903587523 659355100 /nfs/dbraw/zinc/35/51/00/659355100.db2.gz VVRPYGGZOQDPQE-ZDUSSCGKSA-N 1 0 380.919 1.242 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1cc(Br)cnc1Cl ZINC000903592998 659357133 /nfs/dbraw/zinc/35/71/33/659357133.db2.gz UKQVLTHDXXWDLD-QPUJVOFHSA-N 1 0 380.695 1.999 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c(Br)o1 ZINC000903593586 659357227 /nfs/dbraw/zinc/35/72/27/659357227.db2.gz PXZYGFCXPLZNFN-CYBMUJFWSA-N 1 0 393.259 1.345 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903737172 659378521 /nfs/dbraw/zinc/37/85/21/659378521.db2.gz PRUXFFOYARWQLH-AWEZNQCLSA-N 1 0 397.317 1.873 20 0 GDADRO O=S(=O)(CCN1CC[C@@H](N2CC[NH2+]CC2)C1)c1nc2ccccc2s1 ZINC000903751487 659378815 /nfs/dbraw/zinc/37/88/15/659378815.db2.gz JSVPAUPEKBWBLO-CQSZACIVSA-N 1 0 380.539 1.050 20 0 GDADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903793625 659380984 /nfs/dbraw/zinc/38/09/84/659380984.db2.gz ZSCLNYZHFQMHHN-KBPBESRZSA-N 1 0 398.301 1.137 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)CC[NH2+]1 ZINC000903799952 659381412 /nfs/dbraw/zinc/38/14/12/659381412.db2.gz GTRCDQNDKARGNY-FZMZJTMJSA-N 1 0 381.274 1.328 20 0 GDADRO CN(Cc1nnnn1-c1ccccc1Br)C1(C[NH3+])CCOCC1 ZINC000903808159 659382199 /nfs/dbraw/zinc/38/21/99/659382199.db2.gz ATGOZCFIQDQMNS-UHFFFAOYSA-N 1 0 381.278 1.365 20 0 GDADRO O=C1NCCN(C[C@H]2CC[NH2+]C2)[C@H]1c1ccc(I)cc1 ZINC000903825638 659382532 /nfs/dbraw/zinc/38/25/32/659382532.db2.gz BUZWSPGPFZNBDF-FZMZJTMJSA-N 1 0 385.249 1.374 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CN2CCNC(=O)[C@H]2c2ccc(I)cc2)C1 ZINC000903825978 659382544 /nfs/dbraw/zinc/38/25/44/659382544.db2.gz GSWDAOWPEAFLRQ-NILFDRSVSA-N 1 0 399.276 1.892 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000903830838 659382896 /nfs/dbraw/zinc/38/28/96/659382896.db2.gz MBJVRPRLYQVTTQ-CQSZACIVSA-N 1 0 381.274 1.267 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000903839505 659383664 /nfs/dbraw/zinc/38/36/64/659383664.db2.gz MGLBQHIODUAQRT-HUUCEWRRSA-N 1 0 391.281 1.638 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NCC(=O)Nc1ccccc1Br)C2 ZINC000903848642 659384434 /nfs/dbraw/zinc/38/44/34/659384434.db2.gz SHNCTKJXCVSKAT-XQQFMLRXSA-N 1 0 395.301 1.315 20 0 GDADRO COC[C@H]1C[NH2+]CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000903877418 659385869 /nfs/dbraw/zinc/38/58/69/659385869.db2.gz RZJFWAJFADLXFV-CQSZACIVSA-N 1 0 381.274 1.843 20 0 GDADRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903970030 659391261 /nfs/dbraw/zinc/39/12/61/659391261.db2.gz PCHBYGIFYBSWLV-DZGCQCFKSA-N 1 0 387.933 1.732 20 0 GDADRO C[C@@H](C[NH2+]CC[C@H]1CNCCS1(=O)=O)c1cccc(Br)c1 ZINC000903969559 659391302 /nfs/dbraw/zinc/39/13/02/659391302.db2.gz ZUGJBXJAWKMSSG-WFASDCNBSA-N 1 0 375.332 1.919 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3cccc(Br)c3)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000904088347 659394959 /nfs/dbraw/zinc/39/49/59/659394959.db2.gz VOWZQHNSRJDTCZ-UHTWSYAYSA-N 1 0 398.282 1.674 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(CSCc3ccccc3)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000904096158 659395361 /nfs/dbraw/zinc/39/53/61/659395361.db2.gz GHMXBTRCCNGFBD-ZNMIVQPWSA-N 1 0 379.507 1.678 20 0 GDADRO O=C1O[C@@H](c2nc(N3CC[NH2+]CC3)no2)Cc2ccc(Br)cc21 ZINC000904126690 659396181 /nfs/dbraw/zinc/39/61/81/659396181.db2.gz SFXQYGZXUYYUOQ-GFCCVEGCSA-N 1 0 379.214 1.696 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)Nc1ccncc1I ZINC000904411709 659400081 /nfs/dbraw/zinc/40/00/81/659400081.db2.gz WRTCAACXEFLWLR-YGRLFVJLSA-N 1 0 386.237 1.843 20 0 GDADRO O=C(Nc1cc(N2CCOCC2)c(Br)cn1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904494410 659402577 /nfs/dbraw/zinc/40/25/77/659402577.db2.gz LQQAVNXLCPMBTJ-CYZMBNFOSA-N 1 0 396.289 1.695 20 0 GDADRO O=S(=O)(Cc1noc([C@]23C[NH2+]C[C@H]2CCOC3)n1)c1ccc(Cl)cc1 ZINC000904655675 659405113 /nfs/dbraw/zinc/40/51/13/659405113.db2.gz SOEIZUWHKZDOQL-BZNIZROVSA-N 1 0 383.857 1.574 20 0 GDADRO O=C1Nc2ccc(Br)cc2[C@H]1Cc1nc(N2CC[NH2+]CC2)no1 ZINC000904740337 659407681 /nfs/dbraw/zinc/40/76/81/659407681.db2.gz GFHNVOIXOJECFB-LLVKDONJSA-N 1 0 378.230 1.520 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1(n2cc(Br)cn2)CC1 ZINC000904933952 659414418 /nfs/dbraw/zinc/41/44/18/659414418.db2.gz YLGZUPZWGCPVEQ-ZDUSSCGKSA-N 1 0 397.317 1.846 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000904972586 659415260 /nfs/dbraw/zinc/41/52/60/659415260.db2.gz LZUXRVGXFDCZJJ-ZBEGNZNMSA-N 1 0 384.274 1.730 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905006748 659416847 /nfs/dbraw/zinc/41/68/47/659416847.db2.gz FBSJDKSDORBTKG-ABAIWWIYSA-N 1 0 386.315 1.809 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905007684 659416877 /nfs/dbraw/zinc/41/68/77/659416877.db2.gz MNUGTMSOFNBRQG-YMTOWFKASA-N 1 0 376.404 1.460 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905010833 659417279 /nfs/dbraw/zinc/41/72/79/659417279.db2.gz UWAYNWXUWJHUBN-YVEFUNNKSA-N 1 0 398.276 1.886 20 0 GDADRO C[C@@H](CN1CCCCC1)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905037590 659418179 /nfs/dbraw/zinc/41/81/79/659418179.db2.gz YTBHAJCJQOSARC-HOTGVXAUSA-N 1 0 375.579 1.452 20 0 GDADRO CCCNC(=O)CN1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905034295 659418241 /nfs/dbraw/zinc/41/82/41/659418241.db2.gz IGORXUOVVVYYBN-CYBMUJFWSA-N 1 0 375.382 1.515 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905049385 659419205 /nfs/dbraw/zinc/41/92/05/659419205.db2.gz PMJZGNSZKZCUCK-LLVKDONJSA-N 1 0 382.395 1.729 20 0 GDADRO O=C(NCC[NH2+]C[C@@H](O)CC1(O)CCCC1)c1ccc(Br)cc1 ZINC000905059315 659419813 /nfs/dbraw/zinc/41/98/13/659419813.db2.gz NCQOYXGTNBGYSP-HNNXBMFYSA-N 1 0 385.302 1.825 20 0 GDADRO C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C(=O)N1c1cnn(C)c1 ZINC000905144424 659426841 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GDADRO O[C@H](C[NH2+]C[C@H](O)CC1(O)CCCC1)COc1ccccc1Br ZINC000905369455 659448643 /nfs/dbraw/zinc/44/86/43/659448643.db2.gz ZKBOBGMYZMLZCY-ZIAGYGMSSA-N 1 0 388.302 1.835 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000905479736 659457166 /nfs/dbraw/zinc/45/71/66/659457166.db2.gz ZXDQERHDFCFUBB-CYBMUJFWSA-N 1 0 382.404 1.632 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000905480471 659457895 /nfs/dbraw/zinc/45/78/95/659457895.db2.gz HDCIXAINTISEML-GFCCVEGCSA-N 1 0 397.324 1.747 20 0 GDADRO S=C(NCCc1cccs1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000905556374 659464845 /nfs/dbraw/zinc/46/48/45/659464845.db2.gz QXHQVADYDXIYBO-INIZCTEOSA-N 1 0 382.599 1.551 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000905559144 659465412 /nfs/dbraw/zinc/46/54/12/659465412.db2.gz VRFOSHKYTZTHGN-UKRRQHHQSA-N 1 0 381.416 1.402 20 0 GDADRO C[NH+](C)CCNC(=S)N1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC000905584956 659467123 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Cc1cc(NS(=O)(=O)N=S2(=O)CCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000906056849 659514501 /nfs/dbraw/zinc/51/45/01/659514501.db2.gz DEKGLGJIOUFLLD-UHFFFAOYSA-N 1 0 375.520 1.377 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C1CC1 ZINC000906338546 659531848 /nfs/dbraw/zinc/53/18/48/659531848.db2.gz LSJHWPNONLXOBE-OAHLLOKOSA-N 1 0 387.527 1.173 20 0 GDADRO NS(=O)(=O)CCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000906634639 659562569 /nfs/dbraw/zinc/56/25/69/659562569.db2.gz ZMUOEUHFAVGOJB-MRXNPFEDSA-N 1 0 387.933 1.879 20 0 GDADRO CN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000906654617 659565404 /nfs/dbraw/zinc/56/54/04/659565404.db2.gz KZYSBXSUURNQJF-CHWSQXEVSA-N 1 0 386.751 1.735 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000906681117 659569670 /nfs/dbraw/zinc/56/96/70/659569670.db2.gz HZYNYBFKNAGYGH-GHMZBOCLSA-N 1 0 381.889 1.638 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000906745853 659580344 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C[NH+](C)CCOc1cc(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)ccn1 ZINC000907168162 659687814 /nfs/dbraw/zinc/68/78/14/659687814.db2.gz ZSZVTYHZLRXZDG-NSHDSACASA-N 1 0 384.691 1.759 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cn(C)nc1I ZINC000907171539 659688637 /nfs/dbraw/zinc/68/86/37/659688637.db2.gz QWGXJPUEXYGCQS-SNVBAGLBSA-N 1 0 390.269 1.827 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cn(C)nc2I)C[C@@H]1C ZINC000907179468 659692164 /nfs/dbraw/zinc/69/21/64/659692164.db2.gz YDJQXBBXTCQWPK-UWVGGRQHSA-N 1 0 376.242 1.579 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3c[nH]c4ncc(Cl)cc34)[C@H]2C1 ZINC000907209663 659699485 /nfs/dbraw/zinc/69/94/85/659699485.db2.gz FDNRABKDIKTZBC-UONOGXRCSA-N 1 0 384.889 1.700 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)c1nn(C)cc1I ZINC000907356512 659735159 /nfs/dbraw/zinc/73/51/59/659735159.db2.gz FUKOMUFXJVYWHQ-UHFFFAOYSA-N 1 0 394.257 1.113 20 0 GDADRO CN(CCO)CCNS(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1 ZINC000907401845 659747009 /nfs/dbraw/zinc/74/70/09/659747009.db2.gz IUWIDGVVRMTBSV-OAHLLOKOSA-N 1 0 391.331 1.150 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000907555645 659783047 /nfs/dbraw/zinc/78/30/47/659783047.db2.gz WUZARRGBYQEFFQ-SUMWQHHRSA-N 1 0 385.917 1.614 20 0 GDADRO C[N@@H+]1CCC[C@](O)(CC(=O)NOCc2ccc(F)cc2Br)C1 ZINC000907607304 659791278 /nfs/dbraw/zinc/79/12/78/659791278.db2.gz YNNYPEIKZMZUNN-HNNXBMFYSA-N 1 0 375.238 1.983 20 0 GDADRO COC(=O)c1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c(Br)c1 ZINC000907636269 659797683 /nfs/dbraw/zinc/79/76/83/659797683.db2.gz PEQJFIVMNFMUIY-BLLLJJGKSA-N 1 0 385.258 1.307 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCSC[C@@H]1C1CC1 ZINC000907689311 659809045 /nfs/dbraw/zinc/80/90/45/659809045.db2.gz HJGHHCSRFOFLJD-MRXNPFEDSA-N 1 0 386.587 1.968 20 0 GDADRO C[N@@H+]1CCC[C@](O)(CC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000907715409 659815592 /nfs/dbraw/zinc/81/55/92/659815592.db2.gz HYGWBWATBSEIPO-HNNXBMFYSA-N 1 0 391.331 1.678 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 ZINC000907740399 659819981 /nfs/dbraw/zinc/81/99/81/659819981.db2.gz ZUAMCNAISFUQSL-KBXCAEBGSA-N 1 0 399.329 1.563 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000907805228 659833814 /nfs/dbraw/zinc/83/38/14/659833814.db2.gz HRPXDZNXRYVCMF-LBPRGKRZSA-N 1 0 385.306 1.991 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)[C@H](O)c2cccc(Br)c2)CC1(C)C ZINC000908000964 659851241 /nfs/dbraw/zinc/85/12/41/659851241.db2.gz ILINJZYTFGMXMM-OAHLLOKOSA-N 1 0 384.318 1.625 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)C(F)(F)c1ncccc1Br ZINC000908117679 659872256 /nfs/dbraw/zinc/87/22/56/659872256.db2.gz JULPMYBAAFKKER-NSHDSACASA-N 1 0 392.244 1.899 20 0 GDADRO CO[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)c1ccc(Br)s1 ZINC000908207345 659882941 /nfs/dbraw/zinc/88/29/41/659882941.db2.gz YHEQEHORNNXSIO-GXFFZTMASA-N 1 0 377.304 1.771 20 0 GDADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cn1nc(Br)c(Br)n1 ZINC000908443283 659908962 /nfs/dbraw/zinc/90/89/62/659908962.db2.gz NSOVXMHYCMSNLH-QMMMGPOBSA-N 1 0 395.099 1.356 20 0 GDADRO O=C(CNC(=O)COc1ccccc1Br)NCC[NH+]1CCCCC1 ZINC000909320262 659945404 /nfs/dbraw/zinc/94/54/04/659945404.db2.gz HVDXRAXWDZQSNN-UHFFFAOYSA-N 1 0 398.301 1.546 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000910285421 659967479 /nfs/dbraw/zinc/96/74/79/659967479.db2.gz BUGPZILYMRALRD-CABCVRRESA-N 1 0 385.555 1.844 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000910585476 659975857 /nfs/dbraw/zinc/97/58/57/659975857.db2.gz VKWPNAINOMUUBA-ZDUSSCGKSA-N 1 0 381.464 1.683 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000910672047 659978052 /nfs/dbraw/zinc/97/80/52/659978052.db2.gz BOPUOIDFHMJDPI-QWHCGFSZSA-N 1 0 381.464 1.683 20 0 GDADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)CN2CSCCSC2)CC1 ZINC000910877533 659987342 /nfs/dbraw/zinc/98/73/42/659987342.db2.gz JMZZVJBVHNCOBB-UHFFFAOYSA-N 1 0 375.604 1.625 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)CC[C@H]1C[NH3+] ZINC000910950717 659989085 /nfs/dbraw/zinc/98/90/85/659989085.db2.gz SRKLARGBKUCLQG-OCCSQVGLSA-N 1 0 384.933 1.528 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000911004737 659990665 /nfs/dbraw/zinc/99/06/65/659990665.db2.gz SGSJNTLPDPYLBY-CYBMUJFWSA-N 1 0 386.265 1.361 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000911013842 659990903 /nfs/dbraw/zinc/99/09/03/659990903.db2.gz COUKYNNKXCLJLO-OCCSQVGLSA-N 1 0 382.302 1.551 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000911043348 659992349 /nfs/dbraw/zinc/99/23/49/659992349.db2.gz SOIZKGKKCJNAOY-CHWSQXEVSA-N 1 0 382.302 1.817 20 0 GDADRO [NH3+][C@H]1CN(C(=O)C(=O)NCc2ccc(F)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000911088384 659994022 /nfs/dbraw/zinc/99/40/22/659994022.db2.gz PHUNJYSXPSFVLM-CABZTGNLSA-N 1 0 381.757 1.833 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000911102423 659994332 /nfs/dbraw/zinc/99/43/32/659994332.db2.gz QSAAGTZEWXXOHL-BXUZGUMPSA-N 1 0 382.302 1.567 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911155366 659996710 /nfs/dbraw/zinc/99/67/10/659996710.db2.gz JUCKAKNXMDSDGN-CYBMUJFWSA-N 1 0 384.274 1.188 20 0 GDADRO Cc1csc([C@H](C)CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)n1 ZINC000911159060 659997106 /nfs/dbraw/zinc/99/71/06/659997106.db2.gz UPZQIIGXQSYHKJ-FBIMIBRVSA-N 1 0 378.420 1.409 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1Br ZINC000911171480 659997351 /nfs/dbraw/zinc/99/73/51/659997351.db2.gz IUDBHKYBFCGLDE-CYBMUJFWSA-N 1 0 384.274 1.270 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000911175700 659997532 /nfs/dbraw/zinc/99/75/32/659997532.db2.gz HVERNVFJVMFPRY-HAQNSBGRSA-N 1 0 380.286 1.450 20 0 GDADRO Cc1csc([C@@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C2CC2)n1 ZINC000911204902 659998347 /nfs/dbraw/zinc/99/83/47/659998347.db2.gz AJLQJQFDYUPUCU-MXWKQRLJSA-N 1 0 376.404 1.367 20 0 GDADRO CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911240251 659999794 /nfs/dbraw/zinc/99/97/94/659999794.db2.gz ICUIGDNECBIGRF-FVCCEPFGSA-N 1 0 381.464 1.905 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCc1ccc(Br)cc1F)C2 ZINC000911255798 660000553 /nfs/dbraw/zinc/00/05/53/660000553.db2.gz PQXJSSRIEVWQJP-BPNCWPANSA-N 1 0 398.276 1.585 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000911259771 660000900 /nfs/dbraw/zinc/00/09/00/660000900.db2.gz VATNWDKCQWZZFN-QWHCGFSZSA-N 1 0 377.794 1.737 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000911268750 660001080 /nfs/dbraw/zinc/00/10/80/660001080.db2.gz FTGSJSJQUJDGFL-UHFFFAOYSA-N 1 0 398.301 1.852 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)NCc1ccc(Br)c(Br)c1 ZINC000911279810 660001612 /nfs/dbraw/zinc/00/16/12/660001612.db2.gz GWODQZLIHLBUEW-UHFFFAOYSA-N 1 0 393.079 1.163 20 0 GDADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911291053 660002071 /nfs/dbraw/zinc/00/20/71/660002071.db2.gz ITFUKAAESNKHPO-HUUCEWRRSA-N 1 0 395.301 1.766 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000911302204 660002482 /nfs/dbraw/zinc/00/24/82/660002482.db2.gz HETBZCONJCMGJF-NHYWBVRUSA-N 1 0 382.302 1.530 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000911310178 660002994 /nfs/dbraw/zinc/00/29/94/660002994.db2.gz JBKQTGBKLFKYJG-ZYHUDNBSSA-N 1 0 398.276 1.717 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000911311837 660003267 /nfs/dbraw/zinc/00/32/67/660003267.db2.gz SZMSNAWBHQNCPE-JSGCOSHPSA-N 1 0 382.302 1.660 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911321664 660003527 /nfs/dbraw/zinc/00/35/27/660003527.db2.gz LSTUBQUJHUZPDA-GUYCJALGSA-N 1 0 380.286 1.714 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)CCCC1 ZINC000911326627 660003802 /nfs/dbraw/zinc/00/38/02/660003802.db2.gz MMRHIRNSROODNK-CQSZACIVSA-N 1 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ZINC000911422330 660007034 /nfs/dbraw/zinc/00/70/34/660007034.db2.gz QFHIUVYYFMWTPF-WFASDCNBSA-N 1 0 398.301 1.660 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCc1cccc(Br)c1C ZINC000911426493 660007343 /nfs/dbraw/zinc/00/73/43/660007343.db2.gz FMNZJHQOLYJNBP-CQSZACIVSA-N 1 0 382.302 1.627 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911429207 660007519 /nfs/dbraw/zinc/00/75/19/660007519.db2.gz RXCRLUSHABWJHR-ZDUSSCGKSA-N 1 0 382.302 1.614 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911430247 660007656 /nfs/dbraw/zinc/00/76/56/660007656.db2.gz WSDGMQSPTHOAIU-OCCSQVGLSA-N 1 0 382.302 1.660 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911537167 660010088 /nfs/dbraw/zinc/01/00/88/660010088.db2.gz FORRIIULGKXJCF-NWANDNLSSA-N 1 0 396.285 1.295 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000911550623 660010336 /nfs/dbraw/zinc/01/03/36/660010336.db2.gz VAEXVKKDMZCQBZ-TURNYIBQSA-N 1 0 396.260 1.482 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000911551213 660010340 /nfs/dbraw/zinc/01/03/40/660010340.db2.gz JBPFDKAYCOUAJX-BARDWOONSA-N 1 0 393.285 1.517 20 0 GDADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911561306 660010664 /nfs/dbraw/zinc/01/06/64/660010664.db2.gz WHFGOEMCTWNTMM-OTCDBFHCSA-N 1 0 388.693 1.914 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2SC(F)(F)F)C1 ZINC000911576383 660011264 /nfs/dbraw/zinc/01/12/64/660011264.db2.gz OKOFVXGMDALFON-NSHDSACASA-N 1 0 375.416 1.983 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2F)C1 ZINC000911579489 660011394 /nfs/dbraw/zinc/01/13/94/660011394.db2.gz JUDNFPQFWMCBEY-NSHDSACASA-N 1 0 386.265 1.792 20 0 GDADRO COc1cc(CNC(=O)C2CN(C)CC[N@H+](C)C2)c(Br)cc1O ZINC000911606730 660012126 /nfs/dbraw/zinc/01/21/26/660012126.db2.gz QUUGHLKRNCXYPQ-UHFFFAOYSA-N 1 0 386.290 1.273 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2Br)CCO1 ZINC000911883392 660020301 /nfs/dbraw/zinc/02/03/01/660020301.db2.gz MLNIJCSQIFPSAW-IUODEOHRSA-N 1 0 393.285 1.882 20 0 GDADRO C[NH+]1CCC(N(CCO)C(=O)c2cn(C(C)(C)C)nc2Br)CC1 ZINC000911941397 660022089 /nfs/dbraw/zinc/02/20/89/660022089.db2.gz PPNDIPPSNNHIQB-UHFFFAOYSA-N 1 0 387.322 1.929 20 0 GDADRO CO[C@@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Br)s1 ZINC000912054402 660025702 /nfs/dbraw/zinc/02/57/02/660025702.db2.gz LUDODWQVURJZSS-OPQQBVKSSA-N 1 0 375.288 1.476 20 0 GDADRO Cc1ccc(C)c2sc(NC(=O)C[C@@H]3CS(=O)(=O)[C@H]4C[NH2+]C[C@@H]43)nc21 ZINC000912078171 660026817 /nfs/dbraw/zinc/02/68/17/660026817.db2.gz RKUQRDFDGAEKSD-UPJWGTAASA-N 1 0 379.507 1.874 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)N[C@@H]1CCSc2ccc(F)cc21 ZINC000912142676 660028044 /nfs/dbraw/zinc/02/80/44/660028044.db2.gz FSVPYQIGTJHAPG-DSPGLSBSSA-N 1 0 384.498 1.502 20 0 GDADRO Cc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@@H]23)cc1C(F)(F)F ZINC000912159979 660028382 /nfs/dbraw/zinc/02/83/82/660028382.db2.gz FXCLOXIUIMVDTH-SCDSUCTJSA-N 1 0 376.400 1.975 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000912186638 660029224 /nfs/dbraw/zinc/02/92/24/660029224.db2.gz RIGPNZUNMOOGRS-UHFFFAOYSA-N 1 0 375.441 1.188 20 0 GDADRO [NH3+]CCn1cc(Br)cc(C(=O)NC[C@H](O)c2ccccc2F)c1=O ZINC000912367491 660034176 /nfs/dbraw/zinc/03/41/76/660034176.db2.gz CJMUMDWHVWSGEP-AWEZNQCLSA-N 1 0 398.232 1.172 20 0 GDADRO CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000912381043 660034504 /nfs/dbraw/zinc/03/45/04/660034504.db2.gz NXQYFZCAWGLPSF-CQSZACIVSA-N 1 0 385.295 1.181 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000912387287 660034587 /nfs/dbraw/zinc/03/45/87/660034587.db2.gz NSVOAAGOVQEHEK-UHFFFAOYSA-N 1 0 390.315 1.118 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 ZINC000912465626 660038798 /nfs/dbraw/zinc/03/87/98/660038798.db2.gz RCQRANSCHQPPLF-KRWDZBQOSA-N 1 0 396.329 1.842 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)N[C@@H](c1ccccc1)C(F)(F)F ZINC000912472419 660039264 /nfs/dbraw/zinc/03/92/64/660039264.db2.gz BQZICRHRTVUDFB-BHPKHCPMSA-N 1 0 376.400 1.429 20 0 GDADRO CN(CC[N@H+](C)CCO)C(=O)c1ccnc(Cl)c1I ZINC000912607971 660044593 /nfs/dbraw/zinc/04/45/93/660044593.db2.gz OHEUMVJMADSHQH-UHFFFAOYSA-N 1 0 397.644 1.336 20 0 GDADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(C)CC[N@H+](C)CCO ZINC000912609994 660045144 /nfs/dbraw/zinc/04/51/44/660045144.db2.gz WZNZILUKDYFQRE-LLVKDONJSA-N 1 0 377.254 1.738 20 0 GDADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)CNC(=O)c3ccc(Br)o3)C[C@@]2(C)C1 ZINC000913294915 660075258 /nfs/dbraw/zinc/07/52/58/660075258.db2.gz PXNWSAKAGCYGFH-IYBDPMFKSA-N 1 0 384.274 1.572 20 0 GDADRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000913538706 660085433 /nfs/dbraw/zinc/08/54/33/660085433.db2.gz LAASHYBBLKHJFW-OKILXGFUSA-N 1 0 383.539 1.380 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)C(=O)c2ccc(Br)s2)CC1 ZINC000913677397 660091929 /nfs/dbraw/zinc/09/19/29/660091929.db2.gz NOMOQUFVWSWUNJ-UHFFFAOYSA-N 1 0 375.288 1.608 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000913682766 660092177 /nfs/dbraw/zinc/09/21/77/660092177.db2.gz WBNWFKLTGQILOM-UHFFFAOYSA-N 1 0 398.301 1.094 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000913782048 660096990 /nfs/dbraw/zinc/09/69/90/660096990.db2.gz ITJCYBFIKUYTHT-CMPLNLGQSA-N 1 0 388.253 1.658 20 0 GDADRO COc1c(F)cc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)cc1F ZINC000914224156 660128938 /nfs/dbraw/zinc/12/89/38/660128938.db2.gz BQWCWFOJWHCSLG-UHFFFAOYSA-N 1 0 377.457 1.278 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)n(C)c1 ZINC000914235362 660130398 /nfs/dbraw/zinc/13/03/98/660130398.db2.gz SVLSZWOBBYYGIS-UHFFFAOYSA-N 1 0 385.511 1.626 20 0 GDADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CN2CSCCSC2)CC1 ZINC000915066582 660160447 /nfs/dbraw/zinc/16/04/47/660160447.db2.gz ROKIFGKUMOSQNU-UHFFFAOYSA-N 1 0 386.587 1.016 20 0 GDADRO 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COc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)ccc1Cl ZINC001164874419 721281178 /nfs/dbraw/zinc/28/11/78/721281178.db2.gz RIVIDZVWPUBGQR-UHFFFAOYSA-N 1 0 396.919 1.751 20 0 GDADRO Cc1cc2cccnc2c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164877915 721289568 /nfs/dbraw/zinc/28/95/68/721289568.db2.gz PYCJMFLXJKRTBH-UHFFFAOYSA-N 1 0 397.523 1.945 20 0 GDADRO C[NH+](C)Cc1ccnc(N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)c1 ZINC001164874603 721323601 /nfs/dbraw/zinc/32/36/01/721323601.db2.gz CLIJLYINJYXGMO-ILZDJORESA-N 1 0 396.495 1.347 20 0 GDADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4[C@H]3CC(=O)N4c3ccsc3)nn2)CC1 ZINC001164883222 721353756 /nfs/dbraw/zinc/35/37/56/721353756.db2.gz OGURMVZXRYVHRG-HZPDHXFCSA-N 1 0 384.509 1.674 20 0 GDADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(C(N)=O)n3)C2)C1 ZINC001164782302 721357594 /nfs/dbraw/zinc/35/75/94/721357594.db2.gz MSLBUUSYUDUTFC-OAQYLSRUSA-N 1 0 399.495 1.904 20 0 GDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(Cl)c[n+]4[O-])C3)O2)CC1 ZINC001164890297 721430262 /nfs/dbraw/zinc/43/02/62/721430262.db2.gz DIOPCHCUOKLAMF-IEBWSBKVSA-N 1 0 380.920 1.739 20 0 GDADRO CCn1cnc2c1ncnc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164893767 721435597 /nfs/dbraw/zinc/43/55/97/721435597.db2.gz KJKNTOJVJIHDCU-LAUBAEHRSA-N 1 0 399.543 1.612 20 0 GDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nnc5ccccc5n4)C3)O2)CC1 ZINC001164899516 721439949 /nfs/dbraw/zinc/43/99/49/721439949.db2.gz YVGHBVOURQXGFK-UTKZUKDTSA-N 1 0 382.512 1.790 20 0 GDADRO CCOc1nccnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164898495 721443370 /nfs/dbraw/zinc/44/33/70/721443370.db2.gz WBBFLDBGURVXNC-FXAWDEMLSA-N 1 0 375.517 1.641 20 0 GDADRO Cc1cnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1NCC1CC1 ZINC001164795816 721508254 /nfs/dbraw/zinc/50/82/54/721508254.db2.gz NPCJFYCWWKQHHI-UHFFFAOYSA-N 1 0 396.543 1.571 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nnc(Cl)c4ccncc42)CC3)CC1 ZINC001164794580 721510252 /nfs/dbraw/zinc/51/02/52/721510252.db2.gz SFTANEQEOMBZNB-UHFFFAOYSA-N 1 0 398.902 1.642 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cnc4ccc(F)cc4n2)CC3)CC1 ZINC001164794853 721512487 /nfs/dbraw/zinc/51/24/87/721512487.db2.gz XFYUUFJXZOYBJK-UHFFFAOYSA-N 1 0 381.459 1.733 20 0 GDADRO COC(=O)c1c(C)cc(C)nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794253 721513318 /nfs/dbraw/zinc/51/33/18/721513318.db2.gz MFXMRPLTOBTMQS-UHFFFAOYSA-N 1 0 398.511 1.449 20 0 GDADRO NC(=O)c1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(C2CC2)n1 ZINC001164911021 721567560 /nfs/dbraw/zinc/56/75/60/721567560.db2.gz XZBMTUCIYRVBEQ-WBVHZDCISA-N 1 0 397.454 1.934 20 0 GDADRO NC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164908486 721691754 /nfs/dbraw/zinc/69/17/54/721691754.db2.gz ZJVHULNIIQJTRW-SFHVURJKSA-N 1 0 388.422 1.708 20 0 GDADRO COCCN1CCO[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@H]2C1=O ZINC001164923697 721844127 /nfs/dbraw/zinc/84/41/27/721844127.db2.gz VDMDYRYPZWFGBU-RTBURBONSA-N 1 0 388.512 1.378 20 0 GDADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncccc1S(=O)(=O)N1CCCC1 ZINC001164926724 721872333 /nfs/dbraw/zinc/87/23/33/721872333.db2.gz SHLANUDXVKAJNO-SJORKVTESA-N 1 0 393.557 1.081 20 0 GDADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)COc1cncc(Cl)n1 ZINC001164933282 721881281 /nfs/dbraw/zinc/88/12/81/721881281.db2.gz LKFQHJYWSFNWGW-CHWSQXEVSA-N 1 0 375.851 1.812 20 0 GDADRO COC(=O)c1nc(Cl)c(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(Cl)n1 ZINC001164932256 721889140 /nfs/dbraw/zinc/88/91/40/721889140.db2.gz HOVOYLOJOKIVON-QWRGUYRKSA-N 1 0 388.299 1.785 20 0 GDADRO C[NH+]1CCN(c2ccc(N3CCCn4cnc(Cn5cccn5)c4C3)nn2)CC1 ZINC001164937259 721914852 /nfs/dbraw/zinc/91/48/52/721914852.db2.gz KKAFKOJHXMDUFN-UHFFFAOYSA-N 1 0 393.499 1.080 20 0 GDADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4[C@@H]3CCN4C(=O)c3cscn3)nn2)CC1 ZINC001164966058 722063891 /nfs/dbraw/zinc/06/38/91/722063891.db2.gz NSQVWISHXMJYKS-JKSUJKDBSA-N 1 0 399.524 1.178 20 0 GDADRO CCOC(=O)[C@H]1CCc2nnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)cc2C1 ZINC001164968142 722077953 /nfs/dbraw/zinc/07/79/53/722077953.db2.gz SEULDAMRQHTZQM-RYQLBKOJSA-N 1 0 386.496 1.444 20 0 GDADRO Cn1ccnc1C(=O)N[C@H]1CN(c2cc(C[NH+](C)C)ccn2)[C@@H]2CCCO[C@H]21 ZINC001164974412 722093514 /nfs/dbraw/zinc/09/35/14/722093514.db2.gz CLGQUMXXFFEHKZ-JZXOWHBKSA-N 1 0 384.484 1.043 20 0 GDADRO COC(=O)c1cccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164976504 722101013 /nfs/dbraw/zinc/10/10/13/722101013.db2.gz DOFGDLUOBKRTGV-IEBWSBKVSA-N 1 0 382.464 1.991 20 0 GDADRO COC(=O)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980050 722104548 /nfs/dbraw/zinc/10/45/48/722104548.db2.gz JDLJJLMFOXOWBL-HKUYNNGSSA-N 1 0 382.464 1.991 20 0 GDADRO CNC(=O)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983788 722130936 /nfs/dbraw/zinc/13/09/36/722130936.db2.gz UWWRTSCZHDKLID-IEBWSBKVSA-N 1 0 381.480 1.564 20 0 GDADRO CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2c1cccc(N2CC[NH+](C)CC2)n1 ZINC001164995210 722215458 /nfs/dbraw/zinc/21/54/58/722215458.db2.gz HEPQWTRYEQYVOB-KSZLIROESA-N 1 0 387.528 1.342 20 0 GDADRO CCOC(=O)c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nn1 ZINC001165000343 722251477 /nfs/dbraw/zinc/25/14/77/722251477.db2.gz OMEAOUBYEOQORS-UHFFFAOYSA-N 1 0 388.472 1.338 20 0 GDADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3nnco3)ccn1)CCC2 ZINC001165003744 722257114 /nfs/dbraw/zinc/25/71/14/722257114.db2.gz GXBAMLGPJUHDPP-UHFFFAOYSA-N 1 0 383.456 1.817 20 0 GDADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(C(=O)NC3CC3)nn1)CCC2 ZINC001165003486 722257233 /nfs/dbraw/zinc/25/72/33/722257233.db2.gz FBLJEZSZZZWCRX-UHFFFAOYSA-N 1 0 399.499 1.054 20 0 GDADRO Cc1nnc([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)o1 ZINC000737523976 945089436 /nfs/dbraw/zinc/08/94/36/945089436.db2.gz YSLYIXYOVCPLAJ-ZDUSSCGKSA-N 1 0 382.428 1.766 20 0 GDADRO Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H]([NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1C ZINC000737549873 945093871 /nfs/dbraw/zinc/09/38/71/945093871.db2.gz ZMAYGJYTQNHULJ-UKRRQHHQSA-N 1 0 387.488 1.964 20 0 GDADRO O=C1[C@H](N2CCC[C@H]([NH+]3CCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291389 945258016 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Cc1cc(N2C[C@@H](NC(=O)c3cnns3)CC[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571263917 945469666 /nfs/dbraw/zinc/46/96/66/945469666.db2.gz ZSZLQXUEUDLYKW-MNOVXSKESA-N 1 0 385.457 1.209 20 0 GDADRO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CC3CCCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264603 945487566 /nfs/dbraw/zinc/48/75/66/945487566.db2.gz RYSWOKVGDRWCTC-NVXWUHKLSA-N 1 0 385.472 1.206 20 0 GDADRO CO[C@H](C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCCCC1 ZINC001571264776 945490798 /nfs/dbraw/zinc/49/07/98/945490798.db2.gz WMDAKBQXFRFFCX-PBHICJAKSA-N 1 0 385.472 1.292 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571264841 945493867 /nfs/dbraw/zinc/49/38/67/945493867.db2.gz YKBSHROOYXQTPW-KEYYUXOJSA-N 1 0 385.472 1.422 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[C@@H]1CCOC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571265235 945503169 /nfs/dbraw/zinc/50/31/69/945503169.db2.gz DAXMPOKCCGOOHA-UTXMOHQDSA-N 1 0 385.472 1.347 20 0 GDADRO 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C[C@@H]1CN(C(=O)c2cnon2)CC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571290094 946029608 /nfs/dbraw/zinc/02/96/08/946029608.db2.gz VDCRMTGDFKGYFO-MNOVXSKESA-N 1 0 388.457 1.199 20 0 GDADRO O=S1(=O)C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)Oc2ccccc21 ZINC001571292457 946094984 /nfs/dbraw/zinc/09/49/84/946094984.db2.gz ZTCYNLBNVHGWOF-GFCCVEGCSA-N 1 0 389.412 1.330 20 0 GDADRO Cc1oc(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[nH]n2)c1C ZINC000822548525 946120853 /nfs/dbraw/zinc/12/08/53/946120853.db2.gz LORQXYFIIROOGY-UHFFFAOYSA-N 1 0 382.428 1.232 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@H]21)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571294187 946128270 /nfs/dbraw/zinc/12/82/70/946128270.db2.gz CKYKEXNHCAYNCZ-OAFZBRQQSA-N 1 0 389.463 1.790 20 0 GDADRO CC(C)C[C@H](Nc1cc(F)ccc1-c1nn[nH]n1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001571294733 946142421 /nfs/dbraw/zinc/14/24/21/946142421.db2.gz LOYVCLSTVPBFEW-PBHICJAKSA-N 1 0 389.479 1.995 20 0 GDADRO 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DELXTHXIAVUMHZ-HIFRSBDPSA-N 1 0 392.467 1.402 20 0 GDADRO CCn1cccc1C(=O)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571313042 946510933 /nfs/dbraw/zinc/51/09/33/946510933.db2.gz ILGXQZHRRSSCSF-HXUWFJFHSA-N 1 0 392.467 1.826 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)C[C@@H](C)c3ccncc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314887 946544491 /nfs/dbraw/zinc/54/44/91/946544491.db2.gz CTXPCOVATVQYRP-CJNGLKHVSA-N 1 0 392.467 1.594 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C12CCC2 ZINC001571315270 946551148 /nfs/dbraw/zinc/55/11/48/946551148.db2.gz IKWKWMRSCGQSLN-HZPDHXFCSA-N 1 0 392.467 1.729 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)cnn1 ZINC001571315473 946556702 /nfs/dbraw/zinc/55/67/02/946556702.db2.gz LQVVBJJYRZVLAK-MRXNPFEDSA-N 1 0 392.467 1.607 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)[nH]n1 ZINC001571315783 946558656 /nfs/dbraw/zinc/55/86/56/946558656.db2.gz OBFAQKUTHYJRIX-MSOLQXFVSA-N 1 0 392.467 1.777 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)cnn1 ZINC001571315673 946559418 /nfs/dbraw/zinc/55/94/18/946559418.db2.gz NSQLEFIBXXIVNU-KRWDZBQOSA-N 1 0 392.467 1.702 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)n1 ZINC001571316486 946580444 /nfs/dbraw/zinc/58/04/44/946580444.db2.gz DKPJETPVELJJJA-INIZCTEOSA-N 1 0 392.467 1.525 20 0 GDADRO Cc1ncncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC001571316678 946583682 /nfs/dbraw/zinc/58/36/82/946583682.db2.gz JPNGDLFELGDZKC-CXAGYDPISA-N 1 0 392.467 1.748 20 0 GDADRO Cc1cnc(C(=O)N2C[C@H](C)[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571317222 946604479 /nfs/dbraw/zinc/60/44/79/946604479.db2.gz YHDXQURTLXXUGM-GJZGRUSLSA-N 1 0 392.467 1.516 20 0 GDADRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)c1cnccn1 ZINC001571317544 946613336 /nfs/dbraw/zinc/61/33/36/946613336.db2.gz LXOUBAJZNLCEKG-CZIWCDLHSA-N 1 0 392.467 1.735 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn2c1CCCC2 ZINC001571317732 946618322 /nfs/dbraw/zinc/61/83/22/946618322.db2.gz SWHADEMCWCCDJY-INIZCTEOSA-N 1 0 392.467 1.404 20 0 GDADRO O=C(c1cnn2c1CCC2)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317857 946623291 /nfs/dbraw/zinc/62/32/91/946623291.db2.gz XRENXJFGMHXYNL-HNNXBMFYSA-N 1 0 392.467 1.261 20 0 GDADRO CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC001571317944 946624147 /nfs/dbraw/zinc/62/41/47/946624147.db2.gz ZSBFAZPRBLQNRT-UHFFFAOYSA-N 1 0 392.876 1.698 20 0 GDADRO CC(C)[C@@H](C(=O)N1CC[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1)[NH+](C)C ZINC001571317926 946624726 /nfs/dbraw/zinc/62/47/26/946624726.db2.gz YWOPQZJDQWVYQY-JSGCOSHPSA-N 1 0 392.895 1.514 20 0 GDADRO C[C@@H](CN1CCCC1=O)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824412528 946692374 /nfs/dbraw/zinc/69/23/74/946692374.db2.gz AIHBBPLAWXGJFT-HNNXBMFYSA-N 1 0 383.500 1.432 20 0 GDADRO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1)[NH+](C)C ZINC000824420408 946699580 /nfs/dbraw/zinc/69/95/80/946699580.db2.gz JLRJPBFIVLXWOL-JTQLQIEISA-N 1 0 389.851 1.777 20 0 GDADRO CC(=O)Nc1cccc(C[NH2+]C[C@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001573546492 946808808 /nfs/dbraw/zinc/80/88/08/946808808.db2.gz AYZWSQNTIGMMNH-NSHDSACASA-N 1 0 382.428 1.061 20 0 GDADRO C=C/C(C)=C\CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573315676 947254436 /nfs/dbraw/zinc/25/44/36/947254436.db2.gz DLRMGCVMLZLJAL-MJSCBBHESA-N 1 0 384.484 1.640 20 0 GDADRO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573592532 947339274 /nfs/dbraw/zinc/33/92/74/947339274.db2.gz DOFRFLZNYHOZQZ-YOEHRIQHSA-N 1 0 380.456 1.357 20 0 GDADRO CC(C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)=C1CCC1 ZINC001573594413 947396511 /nfs/dbraw/zinc/39/65/11/947396511.db2.gz YTPSJGBGSNEDQJ-SFHVURJKSA-N 1 0 384.484 1.618 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000826033351 947409555 /nfs/dbraw/zinc/40/95/55/947409555.db2.gz ATRSNGOFCHCIDU-BHIYHBOVSA-N 1 0 395.511 1.778 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826030027 947410468 /nfs/dbraw/zinc/41/04/68/947410468.db2.gz ZVRYQUZHCHTSHR-DOTOQJQBSA-N 1 0 385.472 1.371 20 0 GDADRO C[C@H](C(=O)N(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1ccco1 ZINC001573595012 947413099 /nfs/dbraw/zinc/41/30/99/947413099.db2.gz WKCHBQYFVUVBAS-BLLLJJGKSA-N 1 0 381.440 1.729 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573613518 947564844 /nfs/dbraw/zinc/56/48/44/947564844.db2.gz BNZZLJHXCMPTIA-VLIAUNLRSA-N 1 0 392.467 1.533 20 0 GDADRO C=Cc1ccc(C(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001573355318 947640403 /nfs/dbraw/zinc/64/04/03/947640403.db2.gz NVGIOIOJVNEPME-INIZCTEOSA-N 1 0 391.435 1.280 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccc1 ZINC001573617808 947640518 /nfs/dbraw/zinc/64/05/18/947640518.db2.gz NCEBWQHCSHNRPG-XJKSGUPXSA-N 1 0 383.431 1.759 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573619225 947663409 /nfs/dbraw/zinc/66/34/09/947663409.db2.gz UZPVYFLMVHLLHQ-CRAIPNDOSA-N 1 0 379.468 1.962 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573367287 947758006 /nfs/dbraw/zinc/75/80/06/947758006.db2.gz BOLHHKHRMKNNAA-FQEVSTJZSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573367411 947759684 /nfs/dbraw/zinc/75/96/84/947759684.db2.gz CVVABMYXSDLFMU-LBPRGKRZSA-N 1 0 376.436 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573367544 947760995 /nfs/dbraw/zinc/76/09/95/947760995.db2.gz DPCZTLKYKBJMIJ-WMLDXEAASA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001573628812 947764858 /nfs/dbraw/zinc/76/48/58/947764858.db2.gz KITZWLBOBPYFPU-SGTLLEGYSA-N 1 0 390.513 1.417 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573369670 947775709 /nfs/dbraw/zinc/77/57/09/947775709.db2.gz WKDPWGHIROXVRQ-GXTWGEPZSA-N 1 0 390.513 1.872 20 0 GDADRO Cc1cc(NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000826269125 947777712 /nfs/dbraw/zinc/77/77/12/947777712.db2.gz AWXCXOFZUPHAQQ-KRWDZBQOSA-N 1 0 396.455 1.310 20 0 GDADRO CC(=O)CCCC(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573372649 947781993 /nfs/dbraw/zinc/78/19/93/947781993.db2.gz BDWSXYPAJMNNBS-UHFFFAOYSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@@H]1C ZINC001573373313 947791225 /nfs/dbraw/zinc/79/12/25/947791225.db2.gz HOOPYMQDOUNEJC-SUMWQHHRSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573374635 947811541 /nfs/dbraw/zinc/81/15/41/947811541.db2.gz KOMCOMBTQJXDGG-UKRRQHHQSA-N 1 0 385.472 1.803 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001573374609 947812034 /nfs/dbraw/zinc/81/20/34/947812034.db2.gz OOBNSWMFJLQYEP-DZGCQCFKSA-N 1 0 385.472 1.543 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001573380500 947858760 /nfs/dbraw/zinc/85/87/60/947858760.db2.gz CYBSOQWATDHKGU-QGZVFWFLSA-N 1 0 384.484 1.953 20 0 GDADRO Cc1onc(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1-c1nn[nH]n1 ZINC000826307831 947884727 /nfs/dbraw/zinc/88/47/27/947884727.db2.gz XYRXJCKUPUQUCO-UHFFFAOYSA-N 1 0 395.467 1.795 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573647942 947903133 /nfs/dbraw/zinc/90/31/33/947903133.db2.gz VUKQOQSKUHDHLS-IIYDPXPESA-N 1 0 378.440 1.141 20 0 GDADRO Cc1nc2n(n1)C[C@H]([NH2+]C1CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826329156 947959599 /nfs/dbraw/zinc/95/95/99/947959599.db2.gz RXOMRIZZCYVSHI-GOSISDBHSA-N 1 0 393.499 1.336 20 0 GDADRO Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1-c1nn[nH]n1 ZINC000826343648 947992787 /nfs/dbraw/zinc/99/27/87/947992787.db2.gz JALRKSWIMUSKSC-UHFFFAOYSA-N 1 0 387.419 1.435 20 0 GDADRO Cc1onc(CC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1-c1nn[nH]n1 ZINC000826343635 947993636 /nfs/dbraw/zinc/99/36/36/947993636.db2.gz IQVHKIVWLIWDHA-UHFFFAOYSA-N 1 0 387.488 1.820 20 0 GDADRO C[C@H](C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573663106 948032164 /nfs/dbraw/zinc/03/21/64/948032164.db2.gz IZHLGCMLYFANGD-BZOOQXSSSA-N 1 0 380.456 1.309 20 0 GDADRO Cc1onc(CC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1-c1nn[nH]n1 ZINC000826347805 948060291 /nfs/dbraw/zinc/06/02/91/948060291.db2.gz GYCSIVGWPRJNGH-UHFFFAOYSA-N 1 0 383.456 1.862 20 0 GDADRO CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573415449 948109372 /nfs/dbraw/zinc/10/93/72/948109372.db2.gz SWCKAHXNVBYCRB-WOJBJXKFSA-N 1 0 392.463 1.461 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001573672731 948109936 /nfs/dbraw/zinc/10/99/36/948109936.db2.gz IUGCYKQFLNUTMQ-JSGCOSHPSA-N 1 0 383.481 1.817 20 0 GDADRO Cn1cc(C[NH2+]C[C@@H](O)COCC2CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361247 948130009 /nfs/dbraw/zinc/13/00/09/948130009.db2.gz QPXVLQJXWVSLNW-QGZVFWFLSA-N 1 0 383.456 1.144 20 0 GDADRO CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573433610 948202989 /nfs/dbraw/zinc/20/29/89/948202989.db2.gz MMKAAUBZOAMQFR-NVXWUHKLSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573681735 948212390 /nfs/dbraw/zinc/21/23/90/948212390.db2.gz XGPICPHOFFRLDX-IAQYHMDHSA-N 1 0 376.436 1.009 20 0 GDADRO CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001573438606 948238455 /nfs/dbraw/zinc/23/84/55/948238455.db2.gz CXIJCVYWLMGYPC-MSOLQXFVSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)C1CC1 ZINC001573695688 948309619 /nfs/dbraw/zinc/30/96/19/948309619.db2.gz IHQVJIVCVOYFMO-AHBIMHKDSA-N 1 0 384.459 1.846 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573703470 948355671 /nfs/dbraw/zinc/35/56/71/948355671.db2.gz KGNHUYAQAGAQEW-HUUCEWRRSA-N 1 0 380.456 1.657 20 0 GDADRO O=C1[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476084 948377736 /nfs/dbraw/zinc/37/77/36/948377736.db2.gz AHQOZHSMGQOEAV-ROUUACIJSA-N 1 0 381.484 1.532 20 0 GDADRO O=C1[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476316 948379997 /nfs/dbraw/zinc/37/99/97/948379997.db2.gz FIAAYBUPQCLGPO-RBUKOAKNSA-N 1 0 395.511 1.922 20 0 GDADRO O=C1[C@@H](N2CC[N@@H+]3CCCC[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477299 948387952 /nfs/dbraw/zinc/38/79/52/948387952.db2.gz ZKAURBKWWMTIFC-ROUUACIJSA-N 1 0 381.484 1.532 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573706119 948413993 /nfs/dbraw/zinc/41/39/93/948413993.db2.gz JRPCVISYRIWNTM-HOCLYGCPSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)c1cccnc1 ZINC001573715410 948490042 /nfs/dbraw/zinc/49/00/42/948490042.db2.gz VTTYXDPVRHTFAC-CYBMUJFWSA-N 1 0 383.431 1.753 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1cnn(C)c1 ZINC001573732542 948604913 /nfs/dbraw/zinc/60/49/13/948604913.db2.gz QTAHZKVQFAJFKI-NWDGAFQWSA-N 1 0 386.435 1.137 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)(F)F ZINC001573746463 948682818 /nfs/dbraw/zinc/68/28/18/948682818.db2.gz KBMNDMZOBYVGFU-KPXOXKRLSA-N 1 0 386.353 1.941 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)c1ccco1 ZINC001573751920 948706263 /nfs/dbraw/zinc/70/62/63/948706263.db2.gz IAQPQJXRRRQOCS-ANRZDRKOSA-N 1 0 378.436 1.810 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)[C@@H]1CCCO1 ZINC001573751945 948708231 /nfs/dbraw/zinc/70/82/31/948708231.db2.gz INERZDKUAWJALY-LKIBZCMFSA-N 1 0 382.468 1.228 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001573752667 948716009 /nfs/dbraw/zinc/71/60/09/948716009.db2.gz PPLMRSAWLGOVLM-JIRONKKISA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574916929 948798959 /nfs/dbraw/zinc/79/89/59/948798959.db2.gz MOTJDEKQDICQDS-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO CC(C)c1cccc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001574420592 948803483 /nfs/dbraw/zinc/80/34/83/948803483.db2.gz ZMOKFCXOHYYZSV-BETUJISGSA-N 1 0 378.440 1.575 20 0 GDADRO C[C@H](CNC(=O)CCc1ccon1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574917559 948824629 /nfs/dbraw/zinc/82/46/29/948824629.db2.gz ZQLJRNHINFFHDC-GFCCVEGCSA-N 1 0 387.419 1.563 20 0 GDADRO C[C@H](CNC(=O)CCCc1ccccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574917765 948824708 /nfs/dbraw/zinc/82/47/08/948824708.db2.gz AXINRSGBPGAFMH-OAHLLOKOSA-N 1 0 379.468 1.879 20 0 GDADRO CC(F)(F)CC(=O)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001575227099 948825563 /nfs/dbraw/zinc/82/55/63/948825563.db2.gz RWNRHJUCEQEROC-QGZVFWFLSA-N 1 0 377.399 1.736 20 0 GDADRO C[C@@H](CNC(=O)CCCn1cccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574918150 948838197 /nfs/dbraw/zinc/83/81/97/948838197.db2.gz GKKXPWJIJJOZGF-AWEZNQCLSA-N 1 0 385.447 1.882 20 0 GDADRO CC(C)(C(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCC1 ZINC001573762038 948852901 /nfs/dbraw/zinc/85/29/01/948852901.db2.gz PZITWMZWGIPVOQ-UHFFFAOYSA-N 1 0 386.500 1.604 20 0 GDADRO C[C@H](CCNc1nc(Cl)c(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574684025 948857394 /nfs/dbraw/zinc/85/73/94/948857394.db2.gz AFSUNHNEWIGOKC-RKDXNWHRSA-N 1 0 384.897 1.378 20 0 GDADRO CC(C)(C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573763742 948873179 /nfs/dbraw/zinc/87/31/79/948873179.db2.gz GPBKZGBHZVQPPT-OAHLLOKOSA-N 1 0 392.467 1.459 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)F ZINC001573763789 948875138 /nfs/dbraw/zinc/87/51/38/948875138.db2.gz HUAGYVDDSSIRSW-GFCCVEGCSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncs1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574920013 948881103 /nfs/dbraw/zinc/88/11/03/948881103.db2.gz AGAGIVHDYVWWFL-NSHDSACASA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCNc2ncccc2-c2nn[nH]n2)CC1 ZINC001574685703 948916803 /nfs/dbraw/zinc/91/68/03/948916803.db2.gz ABTUGMBNYLGESL-CQSZACIVSA-N 1 0 386.504 1.689 20 0 GDADRO CC(C)c1ncncc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574432227 948928616 /nfs/dbraw/zinc/92/86/16/948928616.db2.gz FUYUEWJANQPIEB-OAHLLOKOSA-N 1 0 392.467 1.784 20 0 GDADRO CC(C)(C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)C1CCC1 ZINC001573766054 948930004 /nfs/dbraw/zinc/93/00/04/948930004.db2.gz WNAWMUJBTOKJTC-OKILXGFUSA-N 1 0 381.484 1.983 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574432899 948940975 /nfs/dbraw/zinc/94/09/75/948940975.db2.gz OSLSCUQURXQMNM-NEPJUHHUSA-N 1 0 381.444 1.216 20 0 GDADRO CC(C)c1ncncc1C(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574432935 948941365 /nfs/dbraw/zinc/94/13/65/948941365.db2.gz PVJHZWWDOMFVTI-UHFFFAOYSA-N 1 0 381.444 1.384 20 0 GDADRO CC(C)(C(=O)NC1CC(CNc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573772283 948955040 /nfs/dbraw/zinc/95/50/40/948955040.db2.gz SGHYNBIBANULTR-UHFFFAOYSA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)c1nnsc1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574439608 949013126 /nfs/dbraw/zinc/01/31/26/949013126.db2.gz IEXUHXZCHSBAMK-AOOOYVTPSA-N 1 0 385.457 1.031 20 0 GDADRO CC(C)c1nnsc1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574440500 949030296 /nfs/dbraw/zinc/03/02/96/949030296.db2.gz QJIMFCPDVYWFFH-JTQLQIEISA-N 1 0 387.473 1.279 20 0 GDADRO CC(C)[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001574091746 949030691 /nfs/dbraw/zinc/03/06/91/949030691.db2.gz LQVVJMUAMAQNAA-WMLDXEAASA-N 1 0 387.488 1.608 20 0 GDADRO CC(C)(C(=O)NC[C@@H](Nc1ncccc1-c1nn[nH]n1)C1CC1)[NH+]1CCCC1 ZINC001573775489 949046928 /nfs/dbraw/zinc/04/69/28/949046928.db2.gz XOPAPGVWGBXCCJ-OAHLLOKOSA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1)[NH+]1CCCC1 ZINC001574694566 949081199 /nfs/dbraw/zinc/08/11/99/949081199.db2.gz RPZHZNOWLBOEMY-WMLDXEAASA-N 1 0 386.504 1.641 20 0 GDADRO C[C@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574929551 949097402 /nfs/dbraw/zinc/09/74/02/949097402.db2.gz GIGHIFVZGYCKKP-CYBMUJFWSA-N 1 0 390.463 1.949 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001575249434 949097815 /nfs/dbraw/zinc/09/78/15/949097815.db2.gz BUOYGFKCIQOGFZ-QWHCGFSZSA-N 1 0 387.492 1.226 20 0 GDADRO CC(C)c1nocc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574442739 949104315 /nfs/dbraw/zinc/10/43/15/949104315.db2.gz SSIBGWYRHMFINM-HNNXBMFYSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCC1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574930083 949104286 /nfs/dbraw/zinc/10/42/86/949104286.db2.gz JFQHHBPMCNUNAI-ZDUSSCGKSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574930224 949106034 /nfs/dbraw/zinc/10/60/34/949106034.db2.gz JYHWQSYFIJVFQS-LBPRGKRZSA-N 1 0 376.436 1.559 20 0 GDADRO CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573782867 949138276 /nfs/dbraw/zinc/13/82/76/949138276.db2.gz MGJQWTJQFKHUMD-HDJSIYSDSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@H](CNC(=O)COc1ccsc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574934416 949159153 /nfs/dbraw/zinc/15/91/53/949159153.db2.gz HRQLKNWFFUSUAO-CYBMUJFWSA-N 1 0 386.481 1.944 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)OCC1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574697891 949162163 /nfs/dbraw/zinc/16/21/63/949162163.db2.gz CYXCBAHNTQGBSJ-CHWSQXEVSA-N 1 0 390.463 1.757 20 0 GDADRO C[C@@H](CNC(=O)COc1ccc(F)cc1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934719 949176533 /nfs/dbraw/zinc/17/65/33/949176533.db2.gz PDMJDZIFYFDXHO-LBPRGKRZSA-N 1 0 385.403 1.421 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574698349 949187467 /nfs/dbraw/zinc/18/74/67/949187467.db2.gz JKJWTXYESKMDFC-CZUORRHYSA-N 1 0 383.431 1.523 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)COC2CCCC2)CC1 ZINC001575853297 949208016 /nfs/dbraw/zinc/20/80/16/949208016.db2.gz NOIPDPFLTCRCNG-UHFFFAOYSA-N 1 0 385.472 1.436 20 0 GDADRO CC(C)c1oncc1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001574451481 949231932 /nfs/dbraw/zinc/23/19/32/949231932.db2.gz QBIGGUKHCIXNLL-NHAGDIPZSA-N 1 0 380.412 1.238 20 0 GDADRO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575255520 949239700 /nfs/dbraw/zinc/23/97/00/949239700.db2.gz QSSQGQRVCXLCDR-GHMZBOCLSA-N 1 0 392.895 1.562 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)cn1 ZINC001574452194 949251589 /nfs/dbraw/zinc/25/15/89/949251589.db2.gz FNQVPFCRCXNCGU-MRXNPFEDSA-N 1 0 381.444 1.082 20 0 GDADRO CC(C)n1cc(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001574452532 949264448 /nfs/dbraw/zinc/26/44/48/949264448.db2.gz MMMPGMRUWUYTEQ-UHFFFAOYSA-N 1 0 380.456 1.506 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccc(F)c1F)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574940564 949265796 /nfs/dbraw/zinc/26/57/96/949265796.db2.gz GZFMARLXKKVZOZ-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO CC(C)n1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001574453189 949285531 /nfs/dbraw/zinc/28/55/31/949285531.db2.gz YTPDNDMRXRNIPM-QGZVFWFLSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573793346 949290364 /nfs/dbraw/zinc/29/03/64/949290364.db2.gz PNVVOCYEFRYZPM-CQSZACIVSA-N 1 0 388.447 1.702 20 0 GDADRO CC(C)CC(=O)N1CCC[C@@H]([N@H+](CCO)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574109035 949311116 /nfs/dbraw/zinc/31/11/16/949311116.db2.gz UWLREUPPHZOXSL-QGZVFWFLSA-N 1 0 386.500 1.698 20 0 GDADRO C[C@H](c1ncccn1)[N@@H+]1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575524148 949312121 /nfs/dbraw/zinc/31/21/21/949312121.db2.gz SJAAFUJNZOTVKB-CHWSQXEVSA-N 1 0 381.444 1.188 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001574457169 949314065 /nfs/dbraw/zinc/31/40/65/949314065.db2.gz AUABUBBAGFMVBG-JOCQHMNTSA-N 1 0 381.444 1.082 20 0 GDADRO CC(C)n1ccc(CC(=O)NC[C@@H](C)N(C)c2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001574941853 949324530 /nfs/dbraw/zinc/32/45/30/949324530.db2.gz HODIYWWUDLNWGA-CYBMUJFWSA-N 1 0 383.460 1.223 20 0 GDADRO CC(C)CC(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574109857 949329974 /nfs/dbraw/zinc/32/99/74/949329974.db2.gz GKMIAIZWQJTNJL-HNNXBMFYSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573796958 949345531 /nfs/dbraw/zinc/34/55/31/949345531.db2.gz YKYJRCVIZQWUNY-HNNXBMFYSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](NC(=O)C1CCC(O)CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575260402 949354465 /nfs/dbraw/zinc/35/44/65/949354465.db2.gz VPSIIXPOGRKGCJ-IMUUDWKMSA-N 1 0 384.484 1.354 20 0 GDADRO CC(C)n1ccc(CC(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)n1 ZINC001574459465 949355890 /nfs/dbraw/zinc/35/58/90/949355890.db2.gz HOIPKZFKIQHXKE-CQSZACIVSA-N 1 0 382.472 1.481 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCC1(F)F)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260820 949365192 /nfs/dbraw/zinc/36/51/92/949365192.db2.gz XSCXBRCULLBWAY-XHDPSFHLSA-N 1 0 376.411 1.849 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574460632 949378932 /nfs/dbraw/zinc/37/89/32/949378932.db2.gz UTXZPFFQGWSROC-MQMHXKEQSA-N 1 0 383.460 1.270 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001574463894 949385367 /nfs/dbraw/zinc/38/53/67/949385367.db2.gz ALDQBOAVKXEUPT-INIZCTEOSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)c1 ZINC001574463931 949391678 /nfs/dbraw/zinc/39/16/78/949391678.db2.gz BVTXLIYPZLKKBI-HNNXBMFYSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574704519 949393924 /nfs/dbraw/zinc/39/39/24/949393924.db2.gz OBQWHSLACVBZAX-PBHICJAKSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)CC(=O)NC1(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCOCC1 ZINC001574114144 949408556 /nfs/dbraw/zinc/40/85/56/949408556.db2.gz RNEDNUWMGGMZTL-UHFFFAOYSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CC12CCOCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574705200 949418002 /nfs/dbraw/zinc/41/80/02/949418002.db2.gz SCHVJXCRIDGKNZ-WMLDXEAASA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)n1cnc(C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001574465037 949423398 /nfs/dbraw/zinc/42/33/98/949423398.db2.gz UEJNYTORKKNGIR-CYBMUJFWSA-N 1 0 381.444 1.178 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575534189 949424499 /nfs/dbraw/zinc/42/44/99/949424499.db2.gz KWTYULDANOKHCT-YJYMSZOUSA-N 1 0 388.447 1.371 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001575265553 949452746 /nfs/dbraw/zinc/45/27/46/949452746.db2.gz USQHFSMQBUPJBQ-KBPBESRZSA-N 1 0 386.504 1.687 20 0 GDADRO C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574948464 949462610 /nfs/dbraw/zinc/46/26/10/949462610.db2.gz JBLURGWAFHSVTB-ZDUSSCGKSA-N 1 0 380.456 1.235 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575266035 949467544 /nfs/dbraw/zinc/46/75/44/949467544.db2.gz WVHROEYPZCCLBQ-SJCJKPOMSA-N 1 0 387.463 1.037 20 0 GDADRO CC(C)n1nccc1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001574469764 949481267 /nfs/dbraw/zinc/48/12/67/949481267.db2.gz GPQLYJFUBLBVSZ-UHFFFAOYSA-N 1 0 381.444 1.226 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574469480 949481621 /nfs/dbraw/zinc/48/16/21/949481621.db2.gz FIGUOBGCAQJTHF-HAQNSBGRSA-N 1 0 386.485 1.756 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574469841 949484452 /nfs/dbraw/zinc/48/44/52/949484452.db2.gz IDTXYCIPDFKZLT-JOCQHMNTSA-N 1 0 381.444 1.082 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574470456 949502180 /nfs/dbraw/zinc/50/21/80/949502180.db2.gz RISCDDUOWISLMP-WKILWMFISA-N 1 0 380.456 1.695 20 0 GDADRO C[C@@H](NC(=O)C[C@@H]1CCCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575267682 949503517 /nfs/dbraw/zinc/50/35/17/949503517.db2.gz JLQFNTFQASLQNO-ZBFHGGJFSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CNC(=O)Nc1ccc(C2CC2)c(-c2nn[nH]n2)c1)N1CC[NH+](C)CC1 ZINC001574949986 949526126 /nfs/dbraw/zinc/52/61/26/949526126.db2.gz IYWOZGVVCUQZRO-CYBMUJFWSA-N 1 0 384.488 1.502 20 0 GDADRO C[C@H]1CCCC[C@H]1OCC[NH2+]CCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576164976 949564645 /nfs/dbraw/zinc/56/46/45/949564645.db2.gz JANVLECFCVAOFS-XJKSGUPXSA-N 1 0 375.477 1.452 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cocn1 ZINC001573810767 949577318 /nfs/dbraw/zinc/57/73/18/949577318.db2.gz CAZNYICCLGZOMH-OAHLLOKOSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001574476033 949583305 /nfs/dbraw/zinc/58/33/05/949583305.db2.gz FDMLHMBZUFFJFB-CYBMUJFWSA-N 1 0 388.501 1.666 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCOC1 ZINC001573811184 949594711 /nfs/dbraw/zinc/59/47/11/949594711.db2.gz IPXUYGXPYGAGBH-DOTOQJQBSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574956953 949595103 /nfs/dbraw/zinc/59/51/03/949595103.db2.gz OLIQKHFFJBUDEV-ZLENFMNRSA-N 1 0 388.447 1.415 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCCC(N)=O ZINC001573811192 949596993 /nfs/dbraw/zinc/59/69/93/949596993.db2.gz IQWHRZQXHBZINU-HNNXBMFYSA-N 1 0 387.488 1.143 20 0 GDADRO C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001574476565 949606615 /nfs/dbraw/zinc/60/66/15/949606615.db2.gz ICBSSKBYTWLJOL-HNNXBMFYSA-N 1 0 382.472 1.605 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574957505 949617390 /nfs/dbraw/zinc/61/73/90/949617390.db2.gz ZPWUTWJFBNCJSV-VHSSKADRSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574957510 949620722 /nfs/dbraw/zinc/62/07/22/949620722.db2.gz ZSHXNGWKUGTIHB-IWSPIJDZSA-N 1 0 384.897 1.233 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cnns1 ZINC001573812823 949621393 /nfs/dbraw/zinc/62/13/93/949621393.db2.gz UWFDLQWQRIVWPE-AWEZNQCLSA-N 1 0 386.485 1.653 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574714498 949627892 /nfs/dbraw/zinc/62/78/92/949627892.db2.gz DSVNPMBUMYAMHL-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574715082 949640438 /nfs/dbraw/zinc/64/04/38/949640438.db2.gz APEQPDNCTYGKAA-CQSZACIVSA-N 1 0 387.488 1.062 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574716136 949685078 /nfs/dbraw/zinc/68/50/78/949685078.db2.gz MYXUFKMWQDYARU-CWTRNNRKSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575879758 949694950 /nfs/dbraw/zinc/69/49/50/949694950.db2.gz RKNBEGKOEJVNNX-CXAGYDPISA-N 1 0 389.479 1.427 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCOCC1 ZINC001573817809 949708868 /nfs/dbraw/zinc/70/88/68/949708868.db2.gz BKWSWUUVIVTUEW-BBRMVZONSA-N 1 0 387.488 1.443 20 0 GDADRO C[C@H](CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cccn1 ZINC001574478446 949709240 /nfs/dbraw/zinc/70/92/40/949709240.db2.gz XSNCZRHWHVYWJC-CYBMUJFWSA-N 1 0 386.435 1.402 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)CCc1ccc(F)cc1 ZINC001575277170 949740494 /nfs/dbraw/zinc/74/04/94/949740494.db2.gz OLIABDNHOKWVBZ-OLZOCXBDSA-N 1 0 383.431 1.761 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574480419 949749859 /nfs/dbraw/zinc/74/98/59/949749859.db2.gz IGYIEMYBERHLMQ-KGLIPLIRSA-N 1 0 381.440 1.731 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C=Cc1ccc[nH]1 ZINC001573819322 949754598 /nfs/dbraw/zinc/75/45/98/949754598.db2.gz SYRQXZPOAUAHOL-MOEXGYKKSA-N 1 0 380.456 1.668 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882725 949788139 /nfs/dbraw/zinc/78/81/39/949788139.db2.gz NOLQVRTVPDMUPP-JSGCOSHPSA-N 1 0 386.485 1.294 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cn2cccn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575883159 949800317 /nfs/dbraw/zinc/80/03/17/949800317.db2.gz PVMVYFUFCSXRNJ-YOEHRIQHSA-N 1 0 380.456 1.233 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001576172916 949829410 /nfs/dbraw/zinc/82/94/10/949829410.db2.gz ZIURVYCLRNHIBS-UKRRQHHQSA-N 1 0 387.492 1.036 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574140356 949831310 /nfs/dbraw/zinc/83/13/10/949831310.db2.gz NCSJZTKJTPCDMZ-KUHUBIRLSA-N 1 0 389.504 1.698 20 0 GDADRO CC(C)C[C@@H](C)C[NH+]1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574140504 949834402 /nfs/dbraw/zinc/83/44/02/949834402.db2.gz NYSOADQPHKLFLR-CYBMUJFWSA-N 1 0 375.477 1.044 20 0 GDADRO C[C@H](CC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001574483738 949838637 /nfs/dbraw/zinc/83/86/37/949838637.db2.gz KORWMGQWURZSFS-RHSMWYFYSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001574722753 949846130 /nfs/dbraw/zinc/84/61/30/949846130.db2.gz WVBWLSVBTDHGQN-HNNXBMFYSA-N 1 0 386.504 1.787 20 0 GDADRO CC(C)(C)C1CC(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573824410 949854702 /nfs/dbraw/zinc/85/47/02/949854702.db2.gz FMMQDMRDGWVFTN-OFLPRAFFSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccon1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574725059 949889380 /nfs/dbraw/zinc/88/93/80/949889380.db2.gz OLUZSADXIORMQZ-GFCCVEGCSA-N 1 0 387.419 1.563 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C(F)(F)F ZINC001574484663 949892068 /nfs/dbraw/zinc/89/20/68/949892068.db2.gz LPNPINKIRDWYKJ-GHMZBOCLSA-N 1 0 383.378 1.675 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1Cl)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001575284192 949897187 /nfs/dbraw/zinc/89/71/87/949897187.db2.gz IAWSZOJENFNRSQ-WDEREUQCSA-N 1 0 392.895 1.705 20 0 GDADRO C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575284265 949899732 /nfs/dbraw/zinc/89/97/32/949899732.db2.gz TVMWLBPYZJZWGC-KBPBESRZSA-N 1 0 387.488 1.798 20 0 GDADRO C[C@H](CC(=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001574484797 949905750 /nfs/dbraw/zinc/90/57/50/949905750.db2.gz OLJJWQZQVFUTTN-UKRRQHHQSA-N 1 0 385.472 1.149 20 0 GDADRO 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C[C@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C2CC2)CCOC1 ZINC001575572949 949987338 /nfs/dbraw/zinc/98/73/38/949987338.db2.gz JWXYZMXFYGYWKB-LPHOPBHVSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C2CC2)CCOC1 ZINC001575573669 949999068 /nfs/dbraw/zinc/99/90/68/949999068.db2.gz OAFWNXQEMNUEFR-APWZRJJASA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576181360 949999449 /nfs/dbraw/zinc/99/94/49/949999449.db2.gz LWPCZRIDYOSJAS-SUMWQHHRSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574728720 950005718 /nfs/dbraw/zinc/00/57/18/950005718.db2.gz ICWLCDNLAMQUSX-NSHDSACASA-N 1 0 387.394 1.463 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001576181454 950009499 /nfs/dbraw/zinc/00/94/99/950009499.db2.gz UPHXBWPJAQAHTE-VXGBXAGGSA-N 1 0 382.465 1.405 20 0 GDADRO 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ZINC001574151052 950056326 /nfs/dbraw/zinc/05/63/26/950056326.db2.gz KDWBRQUYOMMHOK-UONOGXRCSA-N 1 0 392.529 1.975 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnon1 ZINC001574151188 950059587 /nfs/dbraw/zinc/05/95/87/950059587.db2.gz MWSJECMNWRTRKU-CYBMUJFWSA-N 1 0 388.407 1.323 20 0 GDADRO C[C@@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576182893 950072614 /nfs/dbraw/zinc/07/26/14/950072614.db2.gz NWUQBZJGFIXTQT-HIFRSBDPSA-N 1 0 385.472 1.007 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574732809 950074058 /nfs/dbraw/zinc/07/40/58/950074058.db2.gz KXXDOVQFHPYQIA-XWIAVFTESA-N 1 0 384.484 1.618 20 0 GDADRO CC(C)(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573836459 950085284 /nfs/dbraw/zinc/08/52/84/950085284.db2.gz LJMDVPGYHRBBGM-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCOC1 ZINC001574151816 950092618 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GDADRO C[C@@]1(C(=O)NCC2CC([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575585461 950195203 /nfs/dbraw/zinc/19/52/03/950195203.db2.gz ZSWINVRCAVUXER-SVGDTCPJSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H]1CCN(C(=O)c2cocn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576191411 950198234 /nfs/dbraw/zinc/19/82/34/950198234.db2.gz FWUSPVRJVIIQFH-RYUDHWBXSA-N 1 0 387.469 1.804 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575901184 950225615 /nfs/dbraw/zinc/22/56/15/950225615.db2.gz LYQIYSRMBYYBEY-MEBBXXQBSA-N 1 0 387.394 1.866 20 0 GDADRO CC(C)(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573845461 950228907 /nfs/dbraw/zinc/22/89/07/950228907.db2.gz ZRKXEGRFBDJERE-GOSISDBHSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1ccon1 ZINC001575901459 950232886 /nfs/dbraw/zinc/23/28/86/950232886.db2.gz NTRAUTNHUDYZJR-BZNIZROVSA-N 1 0 385.403 1.316 20 0 GDADRO 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KNUUZBFTQJJSRI-IHRRRGAJSA-N 1 0 385.447 1.137 20 0 GDADRO C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576204773 950471647 /nfs/dbraw/zinc/47/16/47/950471647.db2.gz CBAZQCDAZZZHDL-GFCCVEGCSA-N 1 0 376.440 1.049 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCC2CC(Nc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204808 950476762 /nfs/dbraw/zinc/47/67/62/950476762.db2.gz CQOBEBVMNZRGNJ-LKSINWNRSA-N 1 0 388.451 1.049 20 0 GDADRO CC(C)CCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574167509 950484215 /nfs/dbraw/zinc/48/42/15/950484215.db2.gz DJKWEWVLXFZRKY-AWEZNQCLSA-N 1 0 378.452 1.351 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573866514 950504954 /nfs/dbraw/zinc/50/49/54/950504954.db2.gz FPJCXVHXWFIATM-CQSZACIVSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001574995408 950509225 /nfs/dbraw/zinc/50/92/25/950509225.db2.gz ZKHUCMBGNSLFCI-VFZGTOFNSA-N 1 0 387.394 1.868 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCCOC1 ZINC001575608742 950515876 /nfs/dbraw/zinc/51/58/76/950515876.db2.gz RDLZSOFWHAHOMD-DOXZYTNZSA-N 1 0 388.447 1.559 20 0 GDADRO CC(C)(C)OCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001573867325 950529917 /nfs/dbraw/zinc/52/99/17/950529917.db2.gz WBOVZFOEHBOAEP-CALCHBBNSA-N 1 0 384.484 1.857 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573867431 950536647 /nfs/dbraw/zinc/53/66/47/950536647.db2.gz ZPUYBUGSEQFXQH-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(F)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574753788 950540104 /nfs/dbraw/zinc/54/01/04/950540104.db2.gz SGFTXSGNMDZVOS-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO CC(C)(C)OCC(=O)NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001573870512 950594118 /nfs/dbraw/zinc/59/41/18/950594118.db2.gz XHTXCUDKGOENEM-UHFFFAOYSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001573870537 950597636 /nfs/dbraw/zinc/59/76/36/950597636.db2.gz HSPVXRXFBMCYLG-LBPRGKRZSA-N 1 0 378.502 1.824 20 0 GDADRO CC1(C)C(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1(C)C ZINC001575619264 950619550 /nfs/dbraw/zinc/61/95/50/950619550.db2.gz NOOYCSFQNILXIZ-LBPRGKRZSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)no1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575001182 950622637 /nfs/dbraw/zinc/62/26/37/950622637.db2.gz UYPMAFFORKFORX-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO CC1(C)C(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1(C)C ZINC001575619760 950623739 /nfs/dbraw/zinc/62/37/39/950623739.db2.gz POEURNHVSDZCFK-CYBMUJFWSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575001470 950633158 /nfs/dbraw/zinc/63/31/58/950633158.db2.gz LAXCUUSHLVVUKZ-LLVKDONJSA-N 1 0 383.431 1.731 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1CCCO1 ZINC001574517858 950650506 /nfs/dbraw/zinc/65/05/06/950650506.db2.gz MNGASIBYPMLRPL-CXTNEJHOSA-N 1 0 390.513 1.870 20 0 GDADRO C[C@H](CN(C)C(=O)c1cccc2cnccc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574760154 950654831 /nfs/dbraw/zinc/65/48/31/950654831.db2.gz UKJMEECXEDYUGG-CYBMUJFWSA-N 1 0 388.435 1.804 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccns1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574760561 950669472 /nfs/dbraw/zinc/66/94/72/950669472.db2.gz JHMVRUSJAKLYRX-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO CC(C)n1cnc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)c1 ZINC001574762188 950705853 /nfs/dbraw/zinc/70/58/53/950705853.db2.gz WWDCQHJYOMNPAT-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574762517 950708836 /nfs/dbraw/zinc/70/88/36/950708836.db2.gz YMVLSFYVHOQZKA-LBPRGKRZSA-N 1 0 383.460 1.113 20 0 GDADRO C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575006228 950716466 /nfs/dbraw/zinc/71/64/66/950716466.db2.gz TUVBUYJFQYWMQY-CYBMUJFWSA-N 1 0 380.456 1.299 20 0 GDADRO C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575006257 950721034 /nfs/dbraw/zinc/72/10/34/950721034.db2.gz UFYCMRIPVRQPFA-ZDUSSCGKSA-N 1 0 380.456 1.308 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573878741 950724059 /nfs/dbraw/zinc/72/40/59/950724059.db2.gz ZSKZYOLRGHDOTO-RAIGVLPGSA-N 1 0 378.502 1.177 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnc(C2CC2)o1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574764179 950747772 /nfs/dbraw/zinc/74/77/72/950747772.db2.gz QPMZEJFBGRCONE-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575927712 950751488 /nfs/dbraw/zinc/75/14/88/950751488.db2.gz SLODXOHQCBSRTM-WBMJQRKESA-N 1 0 381.415 1.467 20 0 GDADRO C[C@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574764656 950755859 /nfs/dbraw/zinc/75/58/59/950755859.db2.gz VQBWTBGVUWFRTQ-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccn2nccc12 ZINC001575927770 950757017 /nfs/dbraw/zinc/75/70/17/950757017.db2.gz UCNJCLSLHPOFLD-IUODEOHRSA-N 1 0 389.423 1.046 20 0 GDADRO C[C@H](C[N@H+](C)C[C@H](O)C1CCCCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765300 950782610 /nfs/dbraw/zinc/78/26/10/950782610.db2.gz BKKHFMIXIHZIBV-WBMJQRKESA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576218826 950795009 /nfs/dbraw/zinc/79/50/09/950795009.db2.gz MTAHRJXVWHNGKP-GWCFXTLKSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1c[nH]cn1 ZINC001574522808 950797280 /nfs/dbraw/zinc/79/72/80/950797280.db2.gz LCJMWUDKGMPZNA-NWDGAFQWSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCc1ccon1 ZINC001574523144 950809849 /nfs/dbraw/zinc/80/98/49/950809849.db2.gz MHPWBTIIOGEVEA-ZIAGYGMSSA-N 1 0 383.456 1.860 20 0 GDADRO CC1(C)CC(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001575633107 950812516 /nfs/dbraw/zinc/81/25/16/950812516.db2.gz PYIOHPMIGKTDJW-SJORKVTESA-N 1 0 384.484 1.354 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575633304 950818319 /nfs/dbraw/zinc/81/83/19/950818319.db2.gz SBKKBRFIXYYAFY-HNNXBMFYSA-N 1 0 390.463 1.399 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575633774 950818694 /nfs/dbraw/zinc/81/86/94/950818694.db2.gz WZMFOEUZHKANDR-CQSZACIVSA-N 1 0 390.463 1.399 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575634105 950826735 /nfs/dbraw/zinc/82/67/35/950826735.db2.gz ZOQSTNLFVKDSNN-GFCCVEGCSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1ccc2c(c1)COC2 ZINC001575010587 950827736 /nfs/dbraw/zinc/82/77/36/950827736.db2.gz FZVFFPOLBAYSKY-GFCCVEGCSA-N 1 0 381.440 1.475 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C1CCOCC1 ZINC001574523871 950836266 /nfs/dbraw/zinc/83/62/66/950836266.db2.gz RNVJBUXKCMKPSN-STQMWFEESA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574523907 950841241 /nfs/dbraw/zinc/84/12/41/950841241.db2.gz SBQGRGMXJIHAOT-YBBXGSKHSA-N 1 0 388.447 1.271 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1=COCCO1 ZINC001574524307 950851794 /nfs/dbraw/zinc/85/17/94/950851794.db2.gz VGPURKUZRGWYGJ-VXGBXAGGSA-N 1 0 390.419 1.267 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1c[nH]cn1 ZINC001574524169 950851919 /nfs/dbraw/zinc/85/19/19/950851919.db2.gz UHWAKOVSDBYYRN-RYUDHWBXSA-N 1 0 388.501 1.657 20 0 GDADRO C[C@@H](CN(C)C(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574767598 950858221 /nfs/dbraw/zinc/85/82/21/950858221.db2.gz SOTKXZDZIRTLOD-VIFPVBQESA-N 1 0 391.432 1.418 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1ccon1 ZINC001574524739 950870178 /nfs/dbraw/zinc/87/01/78/950870178.db2.gz ZAGJHQUCTTXVKD-VXGBXAGGSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CC1(O)CCC1 ZINC001574524814 950873250 /nfs/dbraw/zinc/87/32/50/950873250.db2.gz ZKNZQAIPPZIUKU-QWHCGFSZSA-N 1 0 390.463 1.684 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccnn1C ZINC001574527765 950903921 /nfs/dbraw/zinc/90/39/21/950903921.db2.gz GWRDSSGFCRZSNT-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)(C)n1cc(C[NH2+]C2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)cn1 ZINC001573893908 950907423 /nfs/dbraw/zinc/90/74/23/950907423.db2.gz BLRHCEGDWNPVPN-UHFFFAOYSA-N 1 0 383.460 1.199 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574528466 950931605 /nfs/dbraw/zinc/93/16/05/950931605.db2.gz MOXWXBNLBKCOBR-VXGBXAGGSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1nn(C)cc1Cl)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529556 950949730 /nfs/dbraw/zinc/94/97/30/950949730.db2.gz RCPGSSNZZXXLKP-NXEZZACHSA-N 1 0 391.867 1.268 20 0 GDADRO CC1(C)C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+](C[C@H]2CCOC2)C1 ZINC001575642606 950953437 /nfs/dbraw/zinc/95/34/37/950953437.db2.gz VXTBSMLXRHPTCL-HIFRSBDPSA-N 1 0 387.488 1.452 20 0 GDADRO CC1(C)C[C@H](NC(=O)c2ccon2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575643201 950964021 /nfs/dbraw/zinc/96/40/21/950964021.db2.gz ZSHGEAHTUBRRIR-GFCCVEGCSA-N 1 0 382.428 1.675 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccncn1 ZINC001574529978 950966823 /nfs/dbraw/zinc/96/68/23/950966823.db2.gz RYZCFFLOIBKBBY-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cccnn1 ZINC001574530063 950968404 /nfs/dbraw/zinc/96/84/04/950968404.db2.gz SRMBTRRAJIDJRR-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO CC(C)(CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)CC(F)F ZINC001573899525 950979931 /nfs/dbraw/zinc/97/99/31/950979931.db2.gz BUCLIJYEEPYXHP-ATCWAGBWSA-N 1 0 391.426 1.884 20 0 GDADRO CC(C)(CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O)C1CC1 ZINC001573899671 950984693 /nfs/dbraw/zinc/98/46/93/950984693.db2.gz HWVOFYKVVDBVLX-IAGOWNOFSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H](C)c1cnn(C)c1 ZINC001574774014 950996744 /nfs/dbraw/zinc/99/67/44/950996744.db2.gz AZNXHGCXIBWNQG-ZIAGYGMSSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCOC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024735 951112807 /nfs/dbraw/zinc/11/28/07/951112807.db2.gz LQTUDULFOLCZNT-AWEZNQCLSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575025082 951125207 /nfs/dbraw/zinc/12/52/07/951125207.db2.gz UOUKHMZSSKDGOG-LBPRGKRZSA-N 1 0 385.497 1.902 20 0 GDADRO C[C@H](CNC(=O)c1ccc(N(C)C)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575025081 951125699 /nfs/dbraw/zinc/12/56/99/951125699.db2.gz UOUKHMZSSKDGOG-GFCCVEGCSA-N 1 0 385.497 1.902 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575025944 951134950 /nfs/dbraw/zinc/13/49/50/951134950.db2.gz DCCPQGIBOXGBSJ-ZDUSSCGKSA-N 1 0 380.456 1.554 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2nccnc2c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575026715 951145051 /nfs/dbraw/zinc/14/50/51/951145051.db2.gz MGLKTVVGHCTWSV-ZDUSSCGKSA-N 1 0 388.435 1.718 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1OCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575029391 951186669 /nfs/dbraw/zinc/18/66/69/951186669.db2.gz UIXYBYIVCMGLGJ-GFCCVEGCSA-N 1 0 379.424 1.097 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(N(C)C)c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575029411 951187754 /nfs/dbraw/zinc/18/77/54/951187754.db2.gz VEYULLLZKFNKSH-CYBMUJFWSA-N 1 0 380.456 1.228 20 0 GDADRO CC(C)Oc1ccccc1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575032294 951221265 /nfs/dbraw/zinc/22/12/65/951221265.db2.gz WLVPFDZSMBVCGE-ZDUSSCGKSA-N 1 0 381.440 1.701 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575034837 951258289 /nfs/dbraw/zinc/25/82/89/951258289.db2.gz FIIKDLZQGMTUDN-LBPRGKRZSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575034986 951265082 /nfs/dbraw/zinc/26/50/82/951265082.db2.gz RQEACTIECHVBLX-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1ccnn1CC(F)F)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575035057 951265756 /nfs/dbraw/zinc/26/57/56/951265756.db2.gz UAQXSOPFNOVPKL-NSHDSACASA-N 1 0 390.398 1.236 20 0 GDADRO C[C@@H](CNC(=O)c1ccnn1C1CCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575035317 951274391 /nfs/dbraw/zinc/27/43/91/951274391.db2.gz WGZGPTIUNAWUTP-ZDUSSCGKSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCC2)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575042369 951363425 /nfs/dbraw/zinc/36/34/25/951363425.db2.gz IRSGKKKUNPHBHZ-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575043426 951394249 /nfs/dbraw/zinc/39/42/49/951394249.db2.gz JACSNWSTOSXXDD-JTQLQIEISA-N 1 0 384.469 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)o1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575043625 951399464 /nfs/dbraw/zinc/39/94/64/951399464.db2.gz KWJZCYWWDJVGJM-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(Cl)n1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575044288 951413492 /nfs/dbraw/zinc/41/34/92/951413492.db2.gz QVOLJLCNGSHUCK-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(Cl)n1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575044836 951420211 /nfs/dbraw/zinc/42/02/11/951420211.db2.gz VTNBEHOMBJYOTQ-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CCF)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575055515 951508289 /nfs/dbraw/zinc/50/82/89/951508289.db2.gz WCCOBLKKTGDGMQ-CYBMUJFWSA-N 1 0 386.435 1.283 20 0 GDADRO CC(C)c1nocc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575057824 951530521 /nfs/dbraw/zinc/53/05/21/951530521.db2.gz QXIKYYAKTBVGST-SNVBAGLBSA-N 1 0 375.458 1.948 20 0 GDADRO C[C@@H](CNC(=O)c1ncc(Cl)s1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575062149 951566919 /nfs/dbraw/zinc/56/69/19/951566919.db2.gz URDLLQITQDBGFO-ZETCQYMHSA-N 1 0 383.890 1.946 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575062445 951569085 /nfs/dbraw/zinc/56/90/85/951569085.db2.gz WEJIYCGTMHWPHB-JTQLQIEISA-N 1 0 384.419 1.126 20 0 GDADRO C[C@H](CNC(=O)c1ncnc2[nH]ccc21)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067449 951612064 /nfs/dbraw/zinc/61/20/64/951612064.db2.gz MFIFVSOUHRDSAW-GFCCVEGCSA-N 1 0 391.439 1.340 20 0 GDADRO C[C@H](CNC(=O)c1nccn2ccnc12)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067848 951623003 /nfs/dbraw/zinc/62/30/03/951623003.db2.gz PNNGHYSLHSGZNX-CYBMUJFWSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@H](CNC(=O)c1sccc1C[NH+](C)C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575069326 951641651 /nfs/dbraw/zinc/64/16/51/951641651.db2.gz HUOCMTSDDRGKAS-LLVKDONJSA-N 1 0 386.485 1.615 20 0 GDADRO C[C@H](CNC(=O)c1scnc1Cl)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575069351 951641983 /nfs/dbraw/zinc/64/19/83/951641983.db2.gz HZWVFRVUTNCVEQ-MRVPVSSYSA-N 1 0 378.849 1.626 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C1CC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575069854 951646778 /nfs/dbraw/zinc/64/67/78/951646778.db2.gz MDQLKFROWJEOGJ-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)C[C@](C)(O)C1CC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077133 951662926 /nfs/dbraw/zinc/66/29/26/951662926.db2.gz CYOVSACTWAJTSC-BUXKBTBVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077488 951669403 /nfs/dbraw/zinc/66/94/03/951669403.db2.gz FISUWSYEHNRDFL-UONOGXRCSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H](O)c1ccccc1F ZINC001575077524 951670638 /nfs/dbraw/zinc/67/06/38/951670638.db2.gz GPLBPSGREHHMGD-BZNIZROVSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@H](CNC(=O)c1ccsn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077830 951674803 /nfs/dbraw/zinc/67/48/03/951674803.db2.gz IHPWSWIBZMIAEM-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCCOC1 ZINC001575077879 951675974 /nfs/dbraw/zinc/67/59/74/951675974.db2.gz JELVBOXNVSQXHI-JSGCOSHPSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575079310 951690121 /nfs/dbraw/zinc/69/01/21/951690121.db2.gz CSGGQUWZWOBOBH-BUXKBTBVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1CCOCC1 ZINC001575079873 951699631 /nfs/dbraw/zinc/69/96/31/951699631.db2.gz RSFJZXGGUASGDS-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)CCc1c[nH]cn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081460 951724652 /nfs/dbraw/zinc/72/46/52/951724652.db2.gz VANPAOCQMXMWBS-GFCCVEGCSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C1CCC(O)CC1 ZINC001575081631 951726146 /nfs/dbraw/zinc/72/61/46/951726146.db2.gz RBYOHVHGVOBYOB-FUJMWEONSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1cccc(=O)[nH]1 ZINC001575082062 951731333 /nfs/dbraw/zinc/73/13/33/951731333.db2.gz URSBZESKEFSYBZ-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082217 951731552 /nfs/dbraw/zinc/73/15/52/951731552.db2.gz VXRSTDBUACXEKF-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1nccs1 ZINC001575082966 951739877 /nfs/dbraw/zinc/73/98/77/951739877.db2.gz ZYWCXPIOODBRFN-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ncccc1O ZINC001575089569 951750620 /nfs/dbraw/zinc/75/06/20/951750620.db2.gz GRWHTEHSMVVRIT-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575089875 951755246 /nfs/dbraw/zinc/75/52/46/951755246.db2.gz IEIMNFPDXDKNEN-BLVKFPJESA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091188 951769979 /nfs/dbraw/zinc/76/99/79/951769979.db2.gz OGMQCYPASGIHOM-UONOGXRCSA-N 1 0 382.472 1.246 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001575091273 951772537 /nfs/dbraw/zinc/77/25/37/951772537.db2.gz PNHWMDUMYAWATP-FQEVSTJZSA-N 1 0 382.468 1.588 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575091296 951772959 /nfs/dbraw/zinc/77/29/59/951772959.db2.gz QIJUZPLMOFVISP-PIGZYNQJSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091584 951778885 /nfs/dbraw/zinc/77/88/85/951778885.db2.gz VQZDOUUZKBFQDU-CZUORRHYSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1ncccn1 ZINC001575092517 951792130 /nfs/dbraw/zinc/79/21/30/951792130.db2.gz CSBJVUFRZGDVLM-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)o1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094274 951803844 /nfs/dbraw/zinc/80/38/44/951803844.db2.gz MMAFRFYOYHMNGY-GFCCVEGCSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCCn1ccnc1 ZINC001575094372 951804693 /nfs/dbraw/zinc/80/46/93/951804693.db2.gz NFJJTMISVAPRHV-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@H](CNC(=O)c1cnc2[nH]cnc2c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095097 951808783 /nfs/dbraw/zinc/80/87/83/951808783.db2.gz RGNGUMWTRBAUCV-LBPRGKRZSA-N 1 0 391.439 1.294 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575095420 951811416 /nfs/dbraw/zinc/81/14/16/951811416.db2.gz SVLZCRRILIPFDD-KDOFPFPSSA-N 1 0 391.479 1.613 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1ccncn1 ZINC001575098424 951822967 /nfs/dbraw/zinc/82/29/67/951822967.db2.gz CQDUBUDNBDUBMA-GFCCVEGCSA-N 1 0 386.485 1.288 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099617 951836692 /nfs/dbraw/zinc/83/66/92/951836692.db2.gz OBWOZWAXLDVQJF-TZMCWYRMSA-N 1 0 390.513 1.587 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100069 951841310 /nfs/dbraw/zinc/84/13/10/951841310.db2.gz QOGNJCRAZBHLAZ-NWDGAFQWSA-N 1 0 388.501 1.372 20 0 GDADRO C[C@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101221 951856472 /nfs/dbraw/zinc/85/64/72/951856472.db2.gz AZXKOGCJYOMTNQ-VIFPVBQESA-N 1 0 391.432 1.324 20 0 GDADRO C[C@H](CNC(=O)c1cc(F)c[nH]1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101482 951860259 /nfs/dbraw/zinc/86/02/59/951860259.db2.gz FPBZKWABTVDBMZ-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575103046 951873897 /nfs/dbraw/zinc/87/38/97/951873897.db2.gz RLHKMBZXBYIERI-PEYYIBSZSA-N 1 0 390.513 1.680 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCCCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103277 951874198 /nfs/dbraw/zinc/87/41/98/951874198.db2.gz SEOSBIUFEHGDBN-DZGCQCFKSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cc1cscn1 ZINC001575104867 951888223 /nfs/dbraw/zinc/88/82/23/951888223.db2.gz FTJONYFLALYFPQ-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105649 951899425 /nfs/dbraw/zinc/89/94/25/951899425.db2.gz MBZCOJHWZDMYTF-ZDUSSCGKSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105909 951901603 /nfs/dbraw/zinc/90/16/03/951901603.db2.gz PPMMBBWKHWULJH-IFXJQAMLSA-N 1 0 392.463 1.712 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001575107198 951914746 /nfs/dbraw/zinc/91/47/46/951914746.db2.gz 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ZINC001571170621 952787548 /nfs/dbraw/zinc/78/75/48/952787548.db2.gz XHHZVUQLDLLUTQ-INIZCTEOSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571170598 952787578 /nfs/dbraw/zinc/78/75/78/952787578.db2.gz XEXBTVRNIPRAEQ-LRDDRELGSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1nn(C)cc1C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571171918 952799415 /nfs/dbraw/zinc/79/94/15/952799415.db2.gz IHYAESLJDOOYEL-WBMJQRKESA-N 1 0 380.456 1.301 20 0 GDADRO O=C(CCn1cccn1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571172016 952800090 /nfs/dbraw/zinc/80/00/90/952800090.db2.gz KNVWQAYWHRJIRJ-UHFFFAOYSA-N 1 0 380.456 1.234 20 0 GDADRO C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571172007 952800351 /nfs/dbraw/zinc/80/03/51/952800351.db2.gz KDBWETNFRXZFMW-FIQUKUQUSA-N 1 0 381.362 1.141 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571178383 952840576 /nfs/dbraw/zinc/84/05/76/952840576.db2.gz HJNMVFVBBPJVQW-SJKOYZFVSA-N 1 0 381.415 1.651 20 0 GDADRO Cc1nc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571179623 952854128 /nfs/dbraw/zinc/85/41/28/952854128.db2.gz HLCSNWLUUCQWCE-ZBFHGGJFSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1cc(CCC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC001571179660 952856414 /nfs/dbraw/zinc/85/64/14/952856414.db2.gz IJZOPFJPAFRFCJ-QGZVFWFLSA-N 1 0 381.440 1.486 20 0 GDADRO Cc1cc(NC[C@@H]2CCC[C@@H]2NC(=O)Cc2ccoc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180273 952859226 /nfs/dbraw/zinc/85/92/26/952859226.db2.gz OFECGVOMVLZKNH-HOCLYGCPSA-N 1 0 381.440 1.525 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)c(C)o1 ZINC001571180985 952861783 /nfs/dbraw/zinc/86/17/83/952861783.db2.gz SIKYFRLVKXQSEL-OAHLLOKOSA-N 1 0 381.440 1.866 20 0 GDADRO Cc1ocnc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571181773 952866089 /nfs/dbraw/zinc/86/60/89/952866089.db2.gz YFUVKHBZJSKQJE-DZGCQCFKSA-N 1 0 381.440 1.851 20 0 GDADRO CCc1ncoc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571182983 952871917 /nfs/dbraw/zinc/87/19/17/952871917.db2.gz LNGJIRPKBLYZNS-OAHLLOKOSA-N 1 0 381.440 1.764 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cocn2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571183006 952872015 /nfs/dbraw/zinc/87/20/15/952872015.db2.gz LXGXNBXORNGDBW-ZBFHGGJFSA-N 1 0 381.440 1.885 20 0 GDADRO CCc1ncoc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571183070 952872677 /nfs/dbraw/zinc/87/26/77/952872677.db2.gz NMCNOJKEVJYCRR-CQSZACIVSA-N 1 0 381.440 1.812 20 0 GDADRO CN(C[C@@H]1CCCCN1C(=O)Cc1ccco1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571183156 952874164 /nfs/dbraw/zinc/87/41/64/952874164.db2.gz QEMLQWFBQIEWEC-AWEZNQCLSA-N 1 0 381.440 1.915 20 0 GDADRO O=C(CCc1ccc(F)cc1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571183278 952875374 /nfs/dbraw/zinc/87/53/74/952875374.db2.gz VFJIMPMKPSETEX-HNNXBMFYSA-N 1 0 381.415 1.468 20 0 GDADRO CCc1cc(C(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)no1 ZINC001571183241 952875681 /nfs/dbraw/zinc/87/56/81/952875681.db2.gz UETOWBVIDUWYKR-DOMZBBRYSA-N 1 0 381.440 1.810 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571183202 952875754 /nfs/dbraw/zinc/87/57/54/952875754.db2.gz SIANWRAAXAAFCK-AWEZNQCLSA-N 1 0 381.440 1.598 20 0 GDADRO CC(C)n1ccc(C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001571183824 952883630 /nfs/dbraw/zinc/88/36/30/952883630.db2.gz KKGJSMYORAQQAN-ZDUSSCGKSA-N 1 0 381.444 1.178 20 0 GDADRO Cc1nn[nH]c1C(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571187955 952911142 /nfs/dbraw/zinc/91/11/42/952911142.db2.gz DIZJBLJKWCAIAN-HUUCEWRRSA-N 1 0 381.444 1.124 20 0 GDADRO Cc1nscc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571188774 952919770 /nfs/dbraw/zinc/91/97/70/952919770.db2.gz IYACNABUMJGYJE-FOLVSLTJSA-N 1 0 381.465 1.492 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3cnn(C(C)C)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189644 952931758 /nfs/dbraw/zinc/93/17/58/952931758.db2.gz ZOIGAPWRMSVSAM-AWEZNQCLSA-N 1 0 381.444 1.096 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571189655 952932327 /nfs/dbraw/zinc/93/23/27/952932327.db2.gz ZPXYCZGGXALNAP-DGCLKSJQSA-N 1 0 381.444 1.389 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571190327 952942010 /nfs/dbraw/zinc/94/20/10/952942010.db2.gz IEBUUYGTMKXYPU-CFAJVAMVSA-N 1 0 381.484 1.687 20 0 GDADRO C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571190790 952943846 /nfs/dbraw/zinc/94/38/46/952943846.db2.gz LZHPLZSKZVTRFJ-CJXDPKRBSA-N 1 0 381.484 1.983 20 0 GDADRO O=C(c1nccs1)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001571193123 952951037 /nfs/dbraw/zinc/95/10/37/952951037.db2.gz YJSZBYPDMDRLIZ-OKILXGFUSA-N 1 0 381.465 1.527 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cncnc1 ZINC001571195625 952977550 /nfs/dbraw/zinc/97/75/50/952977550.db2.gz DBGDPIUASRDJDC-ZBEGNZNMSA-N 1 0 382.403 1.189 20 0 GDADRO Cc1nnccc1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571196092 952980578 /nfs/dbraw/zinc/98/05/78/952980578.db2.gz HHPNMWPJZJSHEP-AWEZNQCLSA-N 1 0 382.403 1.109 20 0 GDADRO CCc1oncc1C(=O)NC1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571199066 952996115 /nfs/dbraw/zinc/99/61/15/952996115.db2.gz KTYWZODCFLXXHQ-UHFFFAOYSA-N 1 0 382.428 1.519 20 0 GDADRO O=C(c1cncc(F)c1)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571199946 953005653 /nfs/dbraw/zinc/00/56/53/953005653.db2.gz DQNKRNBKHXEWQF-CQSZACIVSA-N 1 0 382.403 1.325 20 0 GDADRO Cc1cc(N2CCC[C@@H]([C@@H](C)NC(=O)c3cnco3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571200147 953007879 /nfs/dbraw/zinc/00/78/79/953007879.db2.gz BCRJJPUZASJBNO-CHWSQXEVSA-N 1 0 382.428 1.593 20 0 GDADRO Cc1conc1C(=O)N[C@H]1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571201083 953014179 /nfs/dbraw/zinc/01/41/79/953014179.db2.gz JJYGBZQCKGCSKD-OCCSQVGLSA-N 1 0 382.428 1.299 20 0 GDADRO Cc1ocnc1C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202777 953029265 /nfs/dbraw/zinc/02/92/65/953029265.db2.gz YPHPLXRGTKLJQI-CYBMUJFWSA-N 1 0 382.428 1.465 20 0 GDADRO Cc1conc1C(=O)N1CCCC[C@H]1[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571202851 953029471 /nfs/dbraw/zinc/02/94/71/953029471.db2.gz ZNKXBDQNALTQTB-WFASDCNBSA-N 1 0 382.428 1.475 20 0 GDADRO O=C([C@H]1CC12CCOCC2)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571209849 953067677 /nfs/dbraw/zinc/06/76/77/953067677.db2.gz GRLJQOSDSYFHRM-DLBZAZTESA-N 1 0 382.468 1.374 20 0 GDADRO C[C@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571209811 953068203 /nfs/dbraw/zinc/06/82/03/953068203.db2.gz FOLMHCJNHAHEHW-ZSGPHXLJSA-N 1 0 382.468 1.467 20 0 GDADRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[nH]n3)cc1)C2)[C@H]1CCCO1 ZINC001571209876 953068723 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/nfs/dbraw/zinc/12/50/31/953125031.db2.gz NVGBZJAAROIROA-CQSZACIVSA-N 1 0 383.412 1.258 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)c2conc2C)C1 ZINC001571220112 953128407 /nfs/dbraw/zinc/12/84/07/953128407.db2.gz XHHYJQNVZMJBRN-AWEZNQCLSA-N 1 0 383.412 1.176 20 0 GDADRO C[C@H]1CN(C(=O)c2cccn2C)C[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571229235 953168347 /nfs/dbraw/zinc/16/83/47/953168347.db2.gz BFKOZTNJABTKDJ-LRDDRELGSA-N 1 0 383.431 1.595 20 0 GDADRO Cn1cccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571230003 953172703 /nfs/dbraw/zinc/17/27/03/953172703.db2.gz QPPMTMIOJWJSTJ-OAHLLOKOSA-N 1 0 383.431 1.691 20 0 GDADRO O=C(C1=COCCC1)N1CCC(CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571233125 953190921 /nfs/dbraw/zinc/19/09/21/953190921.db2.gz PFEBSROSTMIPPP-UHFFFAOYSA-N 1 0 383.456 1.419 20 0 GDADRO C[C@H]1CN(C(=O)c2ccns2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571233752 953195096 /nfs/dbraw/zinc/19/50/96/953195096.db2.gz CJAZYDYKWOIPCM-WFASDCNBSA-N 1 0 383.481 1.964 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccns2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571233749 953195261 /nfs/dbraw/zinc/19/52/61/953195261.db2.gz CJAZYDYKWOIPCM-DOMZBBRYSA-N 1 0 383.481 1.964 20 0 GDADRO CCc1[nH]ccc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001571234271 953200337 /nfs/dbraw/zinc/20/03/37/953200337.db2.gz RKZVKYCRCDZJGL-VIKVFOODSA-N 1 0 383.481 1.679 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001571238810 953233510 /nfs/dbraw/zinc/23/35/10/953233510.db2.gz AJLVLGPAJTWEBK-FZMZJTMJSA-N 1 0 384.419 1.369 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)[C@@H]2C)[nH]n1 ZINC001571238888 953233850 /nfs/dbraw/zinc/23/38/50/953233850.db2.gz BRQAXUIQPSUTQQ-NHYWBVRUSA-N 1 0 384.419 1.430 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1F)C[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001571238876 953234324 /nfs/dbraw/zinc/23/43/24/953234324.db2.gz BPCJPSBHTMCXLZ-GFCCVEGCSA-N 1 0 384.419 1.323 20 0 GDADRO O=C(CCc1ccco1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571239717 953242083 /nfs/dbraw/zinc/24/20/83/953242083.db2.gz RFBVHXOFDKVLHA-HNNXBMFYSA-N 1 0 384.415 1.922 20 0 GDADRO Cc1c[nH]c(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)n1 ZINC001571239937 953244567 /nfs/dbraw/zinc/24/45/67/953244567.db2.gz VCZDHJFWTPSQIZ-ZDUSSCGKSA-N 1 0 384.419 1.432 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)c1sccc1F ZINC001571241709 953248932 /nfs/dbraw/zinc/24/89/32/953248932.db2.gz JMMTZZOWXWFYRY-NHAGDIPZSA-N 1 0 384.440 1.928 20 0 GDADRO Cn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)cn1 ZINC001571241865 953250713 /nfs/dbraw/zinc/25/07/13/953250713.db2.gz NZWGDILNJXVVKW-GOSISDBHSA-N 1 0 384.419 1.134 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)ns1 ZINC001571245201 953271389 /nfs/dbraw/zinc/27/13/89/953271389.db2.gz PDZSKUHRZLMRIZ-TXEJJXNPSA-N 1 0 384.469 1.377 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245852 953277855 /nfs/dbraw/zinc/27/78/55/953277855.db2.gz NFMVIMHIKBKJDV-RYUDHWBXSA-N 1 0 384.469 1.350 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571245911 953278886 /nfs/dbraw/zinc/27/88/86/953278886.db2.gz OLAVLLIPJFUFCX-FZMZJTMJSA-N 1 0 384.469 1.501 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)COC1CCCC1 ZINC001571247896 953287483 /nfs/dbraw/zinc/28/74/83/953287483.db2.gz HUECHFDCTWUETC-KSSFIOAISA-N 1 0 384.484 1.905 20 0 GDADRO Cc1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)o1 ZINC001571248091 953289894 /nfs/dbraw/zinc/28/98/94/953289894.db2.gz DOXWMTBRBCQJGR-QMTHXVAHSA-N 1 0 384.444 1.440 20 0 GDADRO CC[C@@H](OC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571248307 953291340 /nfs/dbraw/zinc/29/13/40/953291340.db2.gz QBOOAZZXQBPAOG-FGTMMUONSA-N 1 0 384.484 1.857 20 0 GDADRO C[C@@H]1CO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001571248318 953292617 /nfs/dbraw/zinc/29/26/17/953292617.db2.gz QFJXDPLXEOBIJJ-OWIUFQIYSA-N 1 0 384.484 1.809 20 0 GDADRO CC1(C)CO[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571248356 953292846 /nfs/dbraw/zinc/29/28/46/953292846.db2.gz RKFQYKTWTGBDFM-IRXDYDNUSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001571248414 953293261 /nfs/dbraw/zinc/29/32/61/953293261.db2.gz STRIBYQTPGGCJT-OXJNMPFZSA-N 1 0 384.484 1.622 20 0 GDADRO COC1CC(C(=O)N2CC[C@H](C[N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571248481 953294564 /nfs/dbraw/zinc/29/45/64/953294564.db2.gz VKUXRCNRQGWKQQ-FAEJEUNOSA-N 1 0 384.484 1.572 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(C)=O)C2)C1 ZINC001571248736 953296622 /nfs/dbraw/zinc/29/66/22/953296622.db2.gz YJJVOWWZDDJSJV-SJORKVTESA-N 1 0 384.484 1.956 20 0 GDADRO O=C([C@H]1CCCOCC1)N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571249097 953300654 /nfs/dbraw/zinc/30/06/54/953300654.db2.gz DFKWAFKXVURDOE-HNNXBMFYSA-N 1 0 384.484 1.764 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571249118 953301918 /nfs/dbraw/zinc/30/19/18/953301918.db2.gz DIDIWFPJXDZYGD-JKSUJKDBSA-N 1 0 384.488 1.173 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C1CC(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001571249467 953305634 /nfs/dbraw/zinc/30/56/34/953305634.db2.gz JIVPYRWJONQRBE-VDSRIPIWSA-N 1 0 384.484 1.906 20 0 GDADRO C[C@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001571249694 953306465 /nfs/dbraw/zinc/30/64/65/953306465.db2.gz KKOAPELIFCZAFE-UONOGXRCSA-N 1 0 384.488 1.395 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571251821 953320222 /nfs/dbraw/zinc/32/02/22/953320222.db2.gz ANNPZIAGHXGXOY-HOTGVXAUSA-N 1 0 384.488 1.539 20 0 GDADRO Cc1nc(N[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)ccc1-c1nn[nH]n1 ZINC001571252300 953325885 /nfs/dbraw/zinc/32/58/85/953325885.db2.gz KDOFOUZUCZMCSZ-ZBFHGGJFSA-N 1 0 384.488 1.456 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571252361 953327667 /nfs/dbraw/zinc/32/76/67/953327667.db2.gz LNJOWVJBJWXMRU-LSDHHAIUSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H]1CN(C(=O)c2cnco2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571255192 953346369 /nfs/dbraw/zinc/34/63/69/953346369.db2.gz MLUCNBZNDWYHFO-NHYWBVRUSA-N 1 0 385.403 1.634 20 0 GDADRO Cc1cnoc1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571255964 953359955 /nfs/dbraw/zinc/35/99/55/953359955.db2.gz WYRQTJMNUWSJLR-UHFFFAOYSA-N 1 0 385.403 1.600 20 0 GDADRO O=C(c1ncccc1F)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571256354 953370232 /nfs/dbraw/zinc/37/02/32/953370232.db2.gz VSKIOSYWOQLUST-ZDUSSCGKSA-N 1 0 385.378 1.544 20 0 GDADRO CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)CC1 ZINC001603068477 972135042 /nfs/dbraw/zinc/13/50/42/972135042.db2.gz PCXVMWLAWRASPA-ROUUACIJSA-N 1 0 377.533 1.326 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C[C@H]1C[NH+](C)C ZINC001329789573 957707194 /nfs/dbraw/zinc/70/71/94/957707194.db2.gz AFGURXMMMDJULW-LZJOCLMNSA-N 1 0 390.528 1.410 20 0 GDADRO CC[C@H](C)[C@H]([NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C(=O)[O-] ZINC001573942746 961617228 /nfs/dbraw/zinc/61/72/28/961617228.db2.gz NIHDSJXJMDTBCY-KXBFYZLASA-N 1 0 376.501 1.856 20 0 GDADRO C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1)[N@@H+]1CCc2ccccc2C1 ZINC001592660428 978645050 /nfs/dbraw/zinc/64/50/50/978645050.db2.gz RUKCCRRCIPTYIN-INIZCTEOSA-N 1 0 388.512 1.624 20 0 GDADRO CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001589623468 987515174 /nfs/dbraw/zinc/51/51/74/987515174.db2.gz KVRHTYCOVQKYQU-UHFFFAOYSA-N 1 0 388.512 1.973 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001599835844 988741299 /nfs/dbraw/zinc/74/12/99/988741299.db2.gz JOTDQDBPGIDWJH-HNNXBMFYSA-N 1 0 392.500 1.561 20 0 GDADRO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001598555202 993047997 /nfs/dbraw/zinc/04/79/97/993047997.db2.gz HLLDMTLHPMDHND-GOSISDBHSA-N 1 0 384.480 1.797 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001593232390 994385105 /nfs/dbraw/zinc/38/51/05/994385105.db2.gz VOIPCXRWMXGRDF-OAHLLOKOSA-N 1 0 377.485 1.790 20 0 GDADRO COc1cccc([C@@H](CNC(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)[NH+](C)C)c1 ZINC001599658577 994620151 /nfs/dbraw/zinc/62/01/51/994620151.db2.gz UESHLNMNEDJPKV-MAUKXSAKSA-N 1 0 392.500 1.488 20 0 GDADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)CC1 ZINC001593723224 996256032 /nfs/dbraw/zinc/25/60/32/996256032.db2.gz NNESEFPEWAFRCZ-WBVHZDCISA-N 1 0 389.500 1.265 20 0 GDADRO COC[C@](C)(CC(=O)[O-])[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001599149441 998269821 /nfs/dbraw/zinc/26/98/21/998269821.db2.gz YOGBLOBWCBGPNR-NRFANRHFSA-N 1 0 391.512 1.545 20 0 GDADRO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)[O-])C1 ZINC001599578104 998480368 /nfs/dbraw/zinc/48/03/68/998480368.db2.gz SZUVQRCHFBMTQR-WRSAYESZSA-N 1 0 381.860 1.089 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC[NH2+]1 ZINC001594256999 998988971 /nfs/dbraw/zinc/98/89/71/998988971.db2.gz BPDMPLLHANKQEZ-ZBFHGGJFSA-N 1 0 375.473 1.155 20 0 GDADRO C[C@@]1(n2cc(C[NH2+][C@@H](CO)Cc3ccc(F)cc3)cn2)CCS(=O)(=O)C1 ZINC000500248786 1126095236 /nfs/dbraw/zinc/09/52/36/1126095236.db2.gz IAZGBIPTXMWLOU-QZTJIDSGSA-N 1 0 381.473 1.249 20 0 GDADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCOCC(F)(F)F)CC1 ZINC000158723279 530535396 /nfs/dbraw/zinc/53/53/96/530535396.db2.gz RHPKYNFRWZKKEV-UHFFFAOYSA-N 1 0 384.424 1.348 20 0 GDADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158933828 530537691 /nfs/dbraw/zinc/53/76/91/530537691.db2.gz IRMLNECVXOGQIF-CQSZACIVSA-N 1 0 391.331 1.883 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1cccc(OC(F)(F)F)c1 ZINC000159017361 530539180 /nfs/dbraw/zinc/53/91/80/530539180.db2.gz RBULRKKUILCWHD-UHFFFAOYSA-N 1 0 382.404 1.710 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)s1 ZINC000159195969 530541373 /nfs/dbraw/zinc/54/13/73/530541373.db2.gz AAUKCTILPYTODK-CYBMUJFWSA-N 1 0 390.575 1.610 20 0 GDADRO C[NH+](C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000010078040 530551984 /nfs/dbraw/zinc/55/19/84/530551984.db2.gz QUBBMMRETCWOTB-UHFFFAOYSA-N 1 0 388.921 1.308 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000161645502 530562112 /nfs/dbraw/zinc/56/21/12/530562112.db2.gz MWZBPZQBGWDSMH-AWEZNQCLSA-N 1 0 391.331 1.820 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccccc2Br)CC1 ZINC000161665126 530562958 /nfs/dbraw/zinc/56/29/58/530562958.db2.gz NPGGNJDAEYTAAL-CYBMUJFWSA-N 1 0 391.331 1.820 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)cc1 ZINC000161711095 530563104 /nfs/dbraw/zinc/56/31/04/530563104.db2.gz CFLKEMZVSGIHGR-AWEZNQCLSA-N 1 0 391.331 1.964 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000162159170 530566296 /nfs/dbraw/zinc/56/62/96/530566296.db2.gz QHXGVJXIXPPVGP-UHFFFAOYSA-N 1 0 381.527 1.652 20 0 GDADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000162497674 530568890 /nfs/dbraw/zinc/56/88/90/530568890.db2.gz OGRKDUDCFJUINV-CQSZACIVSA-N 1 0 382.507 1.719 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000162908609 530571285 /nfs/dbraw/zinc/57/12/85/530571285.db2.gz URJZYEDCQLJBBJ-CQSZACIVSA-N 1 0 391.331 1.998 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000022913075 530573445 /nfs/dbraw/zinc/57/34/45/530573445.db2.gz JKMLWPPGQGQKJQ-UHFFFAOYSA-N 1 0 385.839 1.885 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1Br ZINC000163179827 530574435 /nfs/dbraw/zinc/57/44/35/530574435.db2.gz RSVSYSHRKRGGSO-LLVKDONJSA-N 1 0 385.306 1.471 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2I)C1 ZINC000170845199 530589563 /nfs/dbraw/zinc/58/95/63/530589563.db2.gz BWCVZIWTNFWWGN-JTQLQIEISA-N 1 0 387.221 1.392 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170924081 530591749 /nfs/dbraw/zinc/59/17/49/530591749.db2.gz DNXGFFFIPXGIGG-GFCCVEGCSA-N 1 0 384.274 1.859 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000171309912 530597528 /nfs/dbraw/zinc/59/75/28/530597528.db2.gz KVWKLGHMPADBIV-OAHLLOKOSA-N 1 0 380.286 1.828 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC[NH+]2CCCCCC2)c1 ZINC000030338414 530598409 /nfs/dbraw/zinc/59/84/09/530598409.db2.gz HCSVSAMAHOOLJN-UHFFFAOYSA-N 1 0 389.543 1.091 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000171728837 530602507 /nfs/dbraw/zinc/60/25/07/530602507.db2.gz AEIHTWBJGQHTRM-CYBMUJFWSA-N 1 0 399.333 1.893 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770961 530602610 /nfs/dbraw/zinc/60/26/10/530602610.db2.gz RZAHRPQYAMZFFZ-GFCCVEGCSA-N 1 0 392.262 1.760 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000172261611 530610960 /nfs/dbraw/zinc/61/09/60/530610960.db2.gz RANQDIFPDJRCKP-OAHLLOKOSA-N 1 0 389.880 1.406 20 0 GDADRO NS(=O)(=O)c1ccc(CC(=O)NCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000033017792 530611120 /nfs/dbraw/zinc/61/11/20/530611120.db2.gz VYNPQTZWKWVPDH-UHFFFAOYSA-N 1 0 379.507 1.113 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1nc2c(s1)COCC2)c1cccs1 ZINC000172297699 530611679 /nfs/dbraw/zinc/61/16/79/530611679.db2.gz JHFOKXDIELNKAO-LLVKDONJSA-N 1 0 380.495 1.635 20 0 GDADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000027141510 530588455 /nfs/dbraw/zinc/58/84/55/530588455.db2.gz JTMYOPQPHDDLRC-UHFFFAOYSA-N 1 0 379.869 1.858 20 0 GDADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173216112 530626282 /nfs/dbraw/zinc/62/62/82/530626282.db2.gz JDAXMGIWMQTWAZ-GFCCVEGCSA-N 1 0 382.233 1.999 20 0 GDADRO O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173228068 530626838 /nfs/dbraw/zinc/62/68/38/530626838.db2.gz URYBOFOROQBVRA-ZDUSSCGKSA-N 1 0 396.285 1.568 20 0 GDADRO CCN1CC[C@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)[C@H](C)C1 ZINC000173262271 530627244 /nfs/dbraw/zinc/62/72/44/530627244.db2.gz VTTNSYLXSDYERJ-ZBFHGGJFSA-N 1 0 388.555 1.749 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H](C)O1 ZINC000042169457 530627708 /nfs/dbraw/zinc/62/77/08/530627708.db2.gz GWBVMFDQNTYZKL-GASCZTMLSA-N 1 0 377.576 1.292 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000042328404 530628792 /nfs/dbraw/zinc/62/87/92/530628792.db2.gz FYQLOCMCBSRJLE-GXTWGEPZSA-N 1 0 382.302 1.993 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(S(=O)(=O)CC)CC1)CC(C)C ZINC000042546350 530630166 /nfs/dbraw/zinc/63/01/66/530630166.db2.gz TUQZOXBQVQUMQY-QGZVFWFLSA-N 1 0 375.579 1.921 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000174116363 530643793 /nfs/dbraw/zinc/64/37/93/530643793.db2.gz OVSSUUPKDJCUIQ-UHFFFAOYSA-N 1 0 381.278 1.739 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NCCC[NH+](C(C)C)C(C)C)s1 ZINC000174135084 530643848 /nfs/dbraw/zinc/64/38/48/530643848.db2.gz WBLDQVPBNPGJAT-UHFFFAOYSA-N 1 0 390.575 1.964 20 0 GDADRO CC(C)[C@@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)[NH+]1CCN(C)CC1 ZINC000173707041 530635802 /nfs/dbraw/zinc/63/58/02/530635802.db2.gz LNHOBRXLIINCNI-CQSZACIVSA-N 1 0 385.306 1.139 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NCCc2ccc(Br)s2)CC1=O ZINC000173770585 530636230 /nfs/dbraw/zinc/63/62/30/530636230.db2.gz PRDYAVOEQYPXSU-LLVKDONJSA-N 1 0 388.331 1.579 20 0 GDADRO Cc1ccc(O[C@H](C)C(=O)NCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000044396752 530639292 /nfs/dbraw/zinc/63/92/92/530639292.db2.gz XYRNFHMGBWGQEK-CQSZACIVSA-N 1 0 384.318 1.888 20 0 GDADRO C[C@H](C(=O)NC1CC[NH+](C)CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000174022473 530641381 /nfs/dbraw/zinc/64/13/81/530641381.db2.gz GBMRUCYPQOSRFJ-SNVBAGLBSA-N 1 0 394.269 1.644 20 0 GDADRO CC(C)(NS(C)(=O)=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000172977001 530620080 /nfs/dbraw/zinc/62/00/80/530620080.db2.gz WEQFMSUQDPXOBM-UHFFFAOYSA-N 1 0 387.933 1.748 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NC2(c3cccc(Br)c3)CC2)CC1=O ZINC000175140493 530659070 /nfs/dbraw/zinc/65/90/70/530659070.db2.gz AQLNWMPSKUQKMM-CYBMUJFWSA-N 1 0 394.313 1.965 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000047833130 530663401 /nfs/dbraw/zinc/66/34/01/530663401.db2.gz KGDRIGZMFCTJLE-ZDUSSCGKSA-N 1 0 376.548 1.322 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000175444439 530665552 /nfs/dbraw/zinc/66/55/52/530665552.db2.gz DIKLQMXJUJLNOI-KGLIPLIRSA-N 1 0 387.933 1.997 20 0 GDADRO CC[NH+](CC)CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000049934629 530674504 /nfs/dbraw/zinc/67/45/04/530674504.db2.gz QJASMWPVPBWTSP-UHFFFAOYSA-N 1 0 381.951 1.870 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c1cccs1)c1cccs1 ZINC000049958620 530674672 /nfs/dbraw/zinc/67/46/72/530674672.db2.gz OLZPQQIXBGMRRS-LBPRGKRZSA-N 1 0 387.552 1.897 20 0 GDADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1ccccc1C[NH+]1CCCC1 ZINC000052399868 530685296 /nfs/dbraw/zinc/68/52/96/530685296.db2.gz KKGCOJHYBZTZAU-QGZVFWFLSA-N 1 0 382.551 1.819 20 0 GDADRO Cc1nn(C)c(=O)c(-c2nc(CSc3nc(N)cc(N)[nH+]3)cs2)c1C ZINC000176570045 530686124 /nfs/dbraw/zinc/68/61/24/530686124.db2.gz DNYZMKCJNZCFEZ-UHFFFAOYSA-N 1 0 375.483 1.767 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@H]1C ZINC000176663880 530688001 /nfs/dbraw/zinc/68/80/01/530688001.db2.gz NWUXUMYJPKSDKJ-CHWSQXEVSA-N 1 0 398.301 1.092 20 0 GDADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)N1CCNC1=O ZINC000052833913 530688201 /nfs/dbraw/zinc/68/82/01/530688201.db2.gz VGPVFMKLEHYUOF-UHFFFAOYSA-N 1 0 382.258 1.596 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2ncc(I)n2c1 ZINC000176668441 530688785 /nfs/dbraw/zinc/68/87/85/530688785.db2.gz GJDXKGUGKBQLRA-LLVKDONJSA-N 1 0 384.221 1.763 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccsc1 ZINC000053501801 530693560 /nfs/dbraw/zinc/69/35/60/530693560.db2.gz NISOPNHYOLRXIF-OAHLLOKOSA-N 1 0 388.559 1.163 20 0 GDADRO CNS(=O)(=O)CC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000176921257 530694124 /nfs/dbraw/zinc/69/41/24/530694124.db2.gz OLPWOAWIBLRVGV-UHFFFAOYSA-N 1 0 381.420 1.145 20 0 GDADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000053698876 530695301 /nfs/dbraw/zinc/69/53/01/530695301.db2.gz VIMVTKKFNWEFIS-CYBMUJFWSA-N 1 0 389.543 1.123 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C[N@@H+]1C1CC1 ZINC000177038897 530695878 /nfs/dbraw/zinc/69/58/78/530695878.db2.gz CGVZCGBCEAVKMM-CHWSQXEVSA-N 1 0 383.539 1.888 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)CCOc2ccccc2Br)CC1 ZINC000055051025 530703822 /nfs/dbraw/zinc/70/38/22/530703822.db2.gz GQQHGGYNSLAINP-UHFFFAOYSA-N 1 0 384.318 1.924 20 0 GDADRO CN(CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000177595891 530705941 /nfs/dbraw/zinc/70/59/41/530705941.db2.gz OLGCMKSHEGVIDM-LSDHHAIUSA-N 1 0 387.933 1.950 20 0 GDADRO CN(CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000177595933 530706083 /nfs/dbraw/zinc/70/60/83/530706083.db2.gz OLGCMKSHEGVIDM-CABCVRRESA-N 1 0 387.933 1.950 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000056974507 530721246 /nfs/dbraw/zinc/72/12/46/530721246.db2.gz DMKLTJICTLKXQY-UHFFFAOYSA-N 1 0 398.301 1.935 20 0 GDADRO O[C@@H](COc1ccc(Br)cc1)CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178491759 530721488 /nfs/dbraw/zinc/72/14/88/530721488.db2.gz LZDPQLOAKGENDC-NVXWUHKLSA-N 1 0 399.329 1.843 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178105702 530716394 /nfs/dbraw/zinc/71/63/94/530716394.db2.gz QOWGUQRDCZFNRT-ZDUSSCGKSA-N 1 0 397.317 1.704 20 0 GDADRO [NH3+]CC1(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CCCC1 ZINC000178317141 530719352 /nfs/dbraw/zinc/71/93/52/530719352.db2.gz TYXLHNDBUIUIDY-UHFFFAOYSA-N 1 0 385.917 1.692 20 0 GDADRO C[NH2+]C1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000179144176 530736261 /nfs/dbraw/zinc/73/62/61/530736261.db2.gz CVATZYRSRLLDPH-UHFFFAOYSA-N 1 0 379.404 1.194 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179455652 530741643 /nfs/dbraw/zinc/74/16/43/530741643.db2.gz ICXKUGLQEOZKOR-JTQLQIEISA-N 1 0 375.288 1.534 20 0 GDADRO C[C@@H]([NH3+])CCNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000178654198 530725260 /nfs/dbraw/zinc/72/52/60/530725260.db2.gz DMGOYYFOQWTRSH-MRVPVSSYSA-N 1 0 380.297 1.901 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000178668027 530725560 /nfs/dbraw/zinc/72/55/60/530725560.db2.gz PVBDSJWQYZLMGN-NSHDSACASA-N 1 0 377.304 1.857 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)[N@H+](C)C1CC1 ZINC000057714235 530727227 /nfs/dbraw/zinc/72/72/27/530727227.db2.gz BVWFYLCRKMJQRS-ZDUSSCGKSA-N 1 0 385.555 1.674 20 0 GDADRO CCCN(C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)[C@@H]1CC[NH2+]C1 ZINC000178904571 530729998 /nfs/dbraw/zinc/72/99/98/530729998.db2.gz TVAOFDCFRKSZOK-CQSZACIVSA-N 1 0 385.555 1.676 20 0 GDADRO Cn1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc(Br)c1=O ZINC000178966167 530732592 /nfs/dbraw/zinc/73/25/92/530732592.db2.gz MRCBEMJJBITAQY-LBPRGKRZSA-N 1 0 399.289 1.334 20 0 GDADRO CN(C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[C@H]1CC[NH2+]C1 ZINC000179046556 530734242 /nfs/dbraw/zinc/73/42/42/530734242.db2.gz SGWSCEAALHNOJN-AWEZNQCLSA-N 1 0 379.507 1.661 20 0 GDADRO C[NH+](C)CCOc1ccc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000058922182 530734610 /nfs/dbraw/zinc/73/46/10/530734610.db2.gz XMCSPVYOLXPHRS-MRXNPFEDSA-N 1 0 386.539 1.164 20 0 GDADRO Cn1nnnc1SCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521075 530750967 /nfs/dbraw/zinc/75/09/67/530750967.db2.gz HRHFGJRMHIHZDI-ZDUSSCGKSA-N 1 0 380.543 1.782 20 0 GDADRO Cn1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc(Br)c1=O ZINC000179852541 530751771 /nfs/dbraw/zinc/75/17/71/530751771.db2.gz IESPSUDHDYCGCJ-CMPLNLGQSA-N 1 0 399.289 1.075 20 0 GDADRO Cc1c(Cl)cccc1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000065974638 530757518 /nfs/dbraw/zinc/75/75/18/530757518.db2.gz CCYBSKZWGUFELP-UHFFFAOYSA-N 1 0 387.933 1.727 20 0 GDADRO CCC[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)CC[N@@H+]1CCOC ZINC000179612835 530745506 /nfs/dbraw/zinc/74/55/06/530745506.db2.gz SOEUOMLGCPLYLM-CYBMUJFWSA-N 1 0 386.290 1.710 20 0 GDADRO CN(CCCNC(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1)S(C)(=O)=O ZINC000179607964 530745962 /nfs/dbraw/zinc/74/59/62/530745962.db2.gz GXQJQSUDHZARLK-UHFFFAOYSA-N 1 0 375.922 1.562 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc([S@](C)=O)cc1 ZINC000180749170 530771036 /nfs/dbraw/zinc/77/10/36/530771036.db2.gz ZKZYDYNKBPIHDD-OZYPNJIESA-N 1 0 388.555 1.563 20 0 GDADRO Cn1cc(C[NH2+]C[C@H](O)COc2ccc(I)cc2)cn1 ZINC000066992908 530771148 /nfs/dbraw/zinc/77/11/48/530771148.db2.gz UVDOQUIJLCUIJP-ZDUSSCGKSA-N 1 0 387.221 1.554 20 0 GDADRO CC[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000066958495 530771153 /nfs/dbraw/zinc/77/11/53/530771153.db2.gz FEEUZLBUCYQOQG-NSHDSACASA-N 1 0 381.420 1.440 20 0 GDADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)Cn3cc(Br)cn3)C2=O)n(C)n1 ZINC000181189032 530779397 /nfs/dbraw/zinc/77/93/97/530779397.db2.gz NOAOTNAFIPISRN-WCQYABFASA-N 1 0 381.278 1.471 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000181271154 530780962 /nfs/dbraw/zinc/78/09/62/530780962.db2.gz UBEPHAUZTNNSFL-LLVKDONJSA-N 1 0 391.335 1.580 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000068031677 530782918 /nfs/dbraw/zinc/78/29/18/530782918.db2.gz CSSHNHKIHUNUFK-MGPQQGTHSA-N 1 0 389.543 1.030 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000066861612 530768292 /nfs/dbraw/zinc/76/82/92/530768292.db2.gz RHGWXKJJFRMJHF-UHFFFAOYSA-N 1 0 375.441 1.140 20 0 GDADRO CCC(CC)[C@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)[NH+]1CCCC1 ZINC000069397959 530797004 /nfs/dbraw/zinc/79/70/04/530797004.db2.gz NTRHATZUUCHRRO-HNNXBMFYSA-N 1 0 376.567 1.514 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000069642594 530798136 /nfs/dbraw/zinc/79/81/36/530798136.db2.gz PHQZKFNGIQOUGB-HNNXBMFYSA-N 1 0 379.592 1.286 20 0 GDADRO COC[C@](C)(O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000069911639 530800380 /nfs/dbraw/zinc/80/03/80/530800380.db2.gz PTCKLZUSLVFBSO-CQSZACIVSA-N 1 0 395.237 1.795 20 0 GDADRO O=S(=O)(N[C@H]1CCCC[NH2+]C1)c1ccc(I)cc1 ZINC000070120951 530801801 /nfs/dbraw/zinc/80/18/01/530801801.db2.gz XYHUKQIQRBCJLR-NSHDSACASA-N 1 0 380.251 1.712 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)ccc2OC)CC1 ZINC000070750438 530802624 /nfs/dbraw/zinc/80/26/24/530802624.db2.gz LDZMPBGOQXZESD-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCCc1cc(Cl)ccc1Br ZINC000182652281 530802859 /nfs/dbraw/zinc/80/28/59/530802859.db2.gz OJHBIYXHKVIGGQ-LBPRGKRZSA-N 1 0 397.722 1.523 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cnc1Br ZINC000182736071 530804308 /nfs/dbraw/zinc/80/43/08/530804308.db2.gz MFBYDKFRFLZUMU-CYBMUJFWSA-N 1 0 381.274 1.788 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CSCc2cc(=O)n3ccsc3n2)C1 ZINC000068935579 530792746 /nfs/dbraw/zinc/79/27/46/530792746.db2.gz MJLKALLMKCHILQ-ZDUSSCGKSA-N 1 0 380.539 1.836 20 0 GDADRO C[C@H](CCNC(=O)NCCNS(=O)(=O)c1cccs1)[NH+]1CCCCC1 ZINC000182026827 530793652 /nfs/dbraw/zinc/79/36/52/530793652.db2.gz ZTFACJNOVCRHDD-CQSZACIVSA-N 1 0 388.559 1.590 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC(C)(C)NS(C)(=O)=O)C1 ZINC000069076812 530794679 /nfs/dbraw/zinc/79/46/79/530794679.db2.gz PPILLOZEGIBGTI-HUUCEWRRSA-N 1 0 376.567 1.372 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000069141053 530795440 /nfs/dbraw/zinc/79/54/40/530795440.db2.gz QDJOVKBWMLECJM-LLVKDONJSA-N 1 0 376.272 1.887 20 0 GDADRO OCC1([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCOCC1 ZINC000069246846 530796526 /nfs/dbraw/zinc/79/65/26/530796526.db2.gz DXSIQDCNCVGOMC-GFCCVEGCSA-N 1 0 394.693 1.973 20 0 GDADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1)N1CCCCC1 ZINC000182230096 530796686 /nfs/dbraw/zinc/79/66/86/530796686.db2.gz HVFBBVXLDVUOSV-MRXNPFEDSA-N 1 0 386.539 1.528 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1cc2ccccc2s1 ZINC000184382772 530827349 /nfs/dbraw/zinc/82/73/49/530827349.db2.gz LAGVAEHRANKUNI-CYBMUJFWSA-N 1 0 383.539 1.950 20 0 GDADRO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000184669002 530830588 /nfs/dbraw/zinc/83/05/88/530830588.db2.gz LEEAZTDXODUKHP-WCQYABFASA-N 1 0 378.416 1.829 20 0 GDADRO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(=O)c1ccc(Br)s1 ZINC000184996070 530834672 /nfs/dbraw/zinc/83/46/72/530834672.db2.gz GSYJJDPVIKYXEC-HBNTYKKESA-N 1 0 386.315 1.778 20 0 GDADRO COCCN1CCC([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)CC1 ZINC000090580192 530808606 /nfs/dbraw/zinc/80/86/06/530808606.db2.gz AKXAEJCSCJDAEZ-UHFFFAOYSA-N 1 0 375.560 1.344 20 0 GDADRO CCCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085359059 530808947 /nfs/dbraw/zinc/80/89/47/530808947.db2.gz FXSLSIIHRTXPGY-CQSZACIVSA-N 1 0 376.567 1.466 20 0 GDADRO O=S(=O)(CC[NH2+]C1CCN(CC(F)(F)F)CC1)NC[C@H]1CCCCO1 ZINC000183245783 530812083 /nfs/dbraw/zinc/81/20/83/530812083.db2.gz PEXPFMLBVDUCBH-CQSZACIVSA-N 1 0 387.468 1.091 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000183355608 530813421 /nfs/dbraw/zinc/81/34/21/530813421.db2.gz RCUOPDLVEKZJGP-ZIAGYGMSSA-N 1 0 386.543 1.152 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000183932212 530821898 /nfs/dbraw/zinc/82/18/98/530821898.db2.gz NCPYADQFRGGIMY-UHFFFAOYSA-N 1 0 381.274 1.679 20 0 GDADRO C[C@@H](CNC(=O)c1nc2ncc(Br)cn2n1)C[NH+]1CCCCC1 ZINC000098035963 530822081 /nfs/dbraw/zinc/82/20/81/530822081.db2.gz DKZZDYRJVAAAJT-NSHDSACASA-N 1 0 381.278 1.739 20 0 GDADRO COc1ccc(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Br ZINC000106554982 530848997 /nfs/dbraw/zinc/84/89/97/530848997.db2.gz CVUYEINPYPKBQC-CYBMUJFWSA-N 1 0 399.333 1.893 20 0 GDADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000185928904 530849233 /nfs/dbraw/zinc/84/92/33/530849233.db2.gz KQISDTVINLMDLB-CQSZACIVSA-N 1 0 382.302 1.660 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000106820342 530850371 /nfs/dbraw/zinc/85/03/71/530850371.db2.gz QWLCPANVIZSNEF-GFCCVEGCSA-N 1 0 387.311 1.475 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(Cl)c3F)C2)CC1 ZINC000106893910 530850612 /nfs/dbraw/zinc/85/06/12/530850612.db2.gz COZRZWFZSSGOJC-CYBMUJFWSA-N 1 0 375.897 1.880 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000106888917 530850658 /nfs/dbraw/zinc/85/06/58/530850658.db2.gz YVHZRTOOQKFHFM-UHFFFAOYSA-N 1 0 377.457 1.594 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000106895583 530851342 /nfs/dbraw/zinc/85/13/42/530851342.db2.gz UXFFFPDTMWEJKA-CYBMUJFWSA-N 1 0 390.347 1.672 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)c(C)s1 ZINC000106911952 530851595 /nfs/dbraw/zinc/85/15/95/530851595.db2.gz LJLAIQLXASNGQZ-INIZCTEOSA-N 1 0 387.571 1.784 20 0 GDADRO COc1ccsc1[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000186217140 530853391 /nfs/dbraw/zinc/85/33/91/530853391.db2.gz LTWLSHJLNHAXMA-LBPRGKRZSA-N 1 0 384.527 1.994 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000109017173 530860507 /nfs/dbraw/zinc/86/05/07/530860507.db2.gz WBAGJLYHNYHVIT-CQSZACIVSA-N 1 0 380.286 1.922 20 0 GDADRO C[NH+]1CCC(CCNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000110433190 530867511 /nfs/dbraw/zinc/86/75/11/530867511.db2.gz IVBFTYHFYKGQNL-UHFFFAOYSA-N 1 0 387.933 1.857 20 0 GDADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000187098819 530867592 /nfs/dbraw/zinc/86/75/92/530867592.db2.gz IBSGQNSQYRQQNM-LBPRGKRZSA-N 1 0 394.946 1.421 20 0 GDADRO Cc1cc(Br)cc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000187166949 530868292 /nfs/dbraw/zinc/86/82/92/530868292.db2.gz JCNQONCOUMBECT-ZDUSSCGKSA-N 1 0 390.347 1.672 20 0 GDADRO [NH3+]Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)co1 ZINC000187240810 530869242 /nfs/dbraw/zinc/86/92/42/530869242.db2.gz FYWVLDQHYAKWLK-UHFFFAOYSA-N 1 0 389.886 1.600 20 0 GDADRO CCCN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000104530196 530838613 /nfs/dbraw/zinc/83/86/13/530838613.db2.gz WZRYLKQUEQNTIT-UHFFFAOYSA-N 1 0 375.922 1.761 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C)cc1Br ZINC000105730529 530844479 /nfs/dbraw/zinc/84/44/79/530844479.db2.gz WZSTZIAYCBFHPG-UHFFFAOYSA-N 1 0 386.290 1.733 20 0 GDADRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000188695496 530898575 /nfs/dbraw/zinc/89/85/75/530898575.db2.gz JFTMFDRVHNTTNT-CMPLNLGQSA-N 1 0 376.295 1.855 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(I)c[nH]1 ZINC000115334849 530898769 /nfs/dbraw/zinc/89/87/69/530898769.db2.gz XQGKQGRCEFIKCL-UHFFFAOYSA-N 1 0 377.226 1.462 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000188778294 530901388 /nfs/dbraw/zinc/90/13/88/530901388.db2.gz ILQNSNXJBTYTLO-UHFFFAOYSA-N 1 0 386.265 1.982 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)c1nc2ncc(Br)cn2n1)C(C)(C)C ZINC000116127862 530903290 /nfs/dbraw/zinc/90/32/90/530903290.db2.gz BCXQJJPFEBIADK-NSHDSACASA-N 1 0 383.294 1.983 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)[NH+]1CCC(C)CC1 ZINC000116332789 530903804 /nfs/dbraw/zinc/90/38/04/530903804.db2.gz IKPBBEUSZONGFR-OAHLLOKOSA-N 1 0 388.555 1.630 20 0 GDADRO CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000116890420 530909013 /nfs/dbraw/zinc/90/90/13/530909013.db2.gz NUMLQEBMMLSLMP-LLVKDONJSA-N 1 0 380.297 1.946 20 0 GDADRO C[C@H](OC[C@H](O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000116994660 530910859 /nfs/dbraw/zinc/91/08/59/530910859.db2.gz UHSJKXBAVGNUKU-VBNZEHGJSA-N 1 0 376.906 1.402 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000188223115 530889610 /nfs/dbraw/zinc/88/96/10/530889610.db2.gz OIBTYBNFDKWJCG-HNNXBMFYSA-N 1 0 376.544 1.486 20 0 GDADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000188263021 530890323 /nfs/dbraw/zinc/89/03/23/530890323.db2.gz WQHGTRYCWWMHIX-UHFFFAOYSA-N 1 0 388.555 1.728 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188540042 530896099 /nfs/dbraw/zinc/89/60/99/530896099.db2.gz DZJNPVUGPVJLNM-GXTWGEPZSA-N 1 0 386.265 1.614 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1OC ZINC000118097409 530916174 /nfs/dbraw/zinc/91/61/74/530916174.db2.gz OURHVMXLKGEWOH-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000118107079 530916214 /nfs/dbraw/zinc/91/62/14/530916214.db2.gz JUAVJYFPEDVNBC-LBPRGKRZSA-N 1 0 387.221 1.440 20 0 GDADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000118108217 530916314 /nfs/dbraw/zinc/91/63/14/530916314.db2.gz UPPDIRURGCDTAX-UHFFFAOYSA-N 1 0 394.273 1.641 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000118124338 530916930 /nfs/dbraw/zinc/91/69/30/530916930.db2.gz UKTVXMNZABRTLW-CQSZACIVSA-N 1 0 384.274 1.615 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000119223541 530923277 /nfs/dbraw/zinc/92/32/77/530923277.db2.gz OLUPZLSGEDOXLR-UHFFFAOYSA-N 1 0 386.265 1.363 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccc(CC(F)(F)F)cc1 ZINC000189988500 530924117 /nfs/dbraw/zinc/92/41/17/530924117.db2.gz CQGYYZHPFBRTRK-UHFFFAOYSA-N 1 0 380.432 1.917 20 0 GDADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190033159 530924477 /nfs/dbraw/zinc/92/44/77/530924477.db2.gz SJPYYIIZPCFCLB-CQSZACIVSA-N 1 0 381.274 1.869 20 0 GDADRO O=C(Nc1ccc(Br)nc1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190032964 530924564 /nfs/dbraw/zinc/92/45/64/530924564.db2.gz NDOVQRCYRBGQBL-CYBMUJFWSA-N 1 0 381.274 1.869 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000190283348 530927468 /nfs/dbraw/zinc/92/74/68/530927468.db2.gz WTIKWJBVHJRHOG-UHFFFAOYSA-N 1 0 391.287 1.549 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2ccc(Br)cc2OC)C1 ZINC000190289460 530927531 /nfs/dbraw/zinc/92/75/31/530927531.db2.gz JNCCJJOGBRCESZ-UHFFFAOYSA-N 1 0 377.304 1.829 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1nc(Br)ccc1Br ZINC000190329106 530928302 /nfs/dbraw/zinc/92/83/02/530928302.db2.gz MGDKTEQXZZUXIK-UHFFFAOYSA-N 1 0 395.095 1.651 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000121557497 530958182 /nfs/dbraw/zinc/95/81/82/530958182.db2.gz WDOPGQTXAXPWNQ-FZMZJTMJSA-N 1 0 378.491 1.190 20 0 GDADRO C[NH2+]CCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000121636537 530959313 /nfs/dbraw/zinc/95/93/13/530959313.db2.gz VNRGPQZJCPIPRP-UHFFFAOYSA-N 1 0 377.304 1.727 20 0 GDADRO CCS(=O)(=O)N1CC(CNC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000191157988 530944389 /nfs/dbraw/zinc/94/43/89/530944389.db2.gz ABPWCLMVGKEQQD-UHFFFAOYSA-N 1 0 388.559 1.103 20 0 GDADRO COCCN(CCCN1C(=O)CNC1=O)Cc1sccc1Br ZINC000191430993 530948935 /nfs/dbraw/zinc/94/89/35/530948935.db2.gz ZKDSOWGBBZSQDH-UHFFFAOYSA-N 1 0 390.303 1.901 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(I)c1 ZINC000121070745 530949737 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C[C@H](CNS(=O)(=O)c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000122566106 530973572 /nfs/dbraw/zinc/97/35/72/530973572.db2.gz ZXGZAZUIYRZPCG-GFCCVEGCSA-N 1 0 376.320 1.363 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000192942728 530976853 /nfs/dbraw/zinc/97/68/53/530976853.db2.gz JLXARUKPNIAVJM-NSHDSACASA-N 1 0 381.274 1.692 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000193100578 530979428 /nfs/dbraw/zinc/97/94/28/530979428.db2.gz IKXSJNWHIKSMGL-UHFFFAOYSA-N 1 0 399.289 1.318 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C2CC[NH+](C)CC2)s1 ZINC000193115000 530979434 /nfs/dbraw/zinc/97/94/34/530979434.db2.gz BGQACYSYXAOMLA-HNNXBMFYSA-N 1 0 385.555 1.762 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000193101890 530979803 /nfs/dbraw/zinc/97/98/03/530979803.db2.gz VWHAUCUXJDPDEB-UHFFFAOYSA-N 1 0 382.349 1.426 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193151486 530980545 /nfs/dbraw/zinc/98/05/45/530980545.db2.gz 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388.559 1.528 20 0 GDADRO C[C@H](NC(=O)CCC(=O)NCC[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC000131122928 531067623 /nfs/dbraw/zinc/06/76/23/531067623.db2.gz ILMCYJDCDFUCME-LBPRGKRZSA-N 1 0 398.301 1.595 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000127979516 531036177 /nfs/dbraw/zinc/03/61/77/531036177.db2.gz PZDYXZNVKFVEHV-CQSZACIVSA-N 1 0 396.285 1.709 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)c1ccn(-c2cccc(Br)c2)n1 ZINC000236583344 531037474 /nfs/dbraw/zinc/03/74/74/531037474.db2.gz BRZZQHJOYWYYPE-UHFFFAOYSA-N 1 0 378.274 1.270 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)c2cc(Br)c[nH]2)C1)[C@@H]1CCC[NH2+]1 ZINC000236644301 531038483 /nfs/dbraw/zinc/03/84/83/531038483.db2.gz HZMZFISKRCELSQ-AAEUAGOBSA-N 1 0 383.290 1.498 20 0 GDADRO O=C(C[NH2+]C[C@H]1CCCO1)NCCNC(=O)c1ccc(Br)cc1 ZINC000236607821 531038547 /nfs/dbraw/zinc/03/85/47/531038547.db2.gz DSQABHRPVBCFAF-CQSZACIVSA-N 1 0 384.274 1.064 20 0 GDADRO O=C(NCCSCCOc1cccc(Br)c1)[C@@H]1C[NH2+]CCO1 ZINC000236637074 531038627 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CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1F ZINC000440803958 531345372 /nfs/dbraw/zinc/34/53/72/531345372.db2.gz BAUSOARMHVNDTE-LLVKDONJSA-N 1 0 379.479 1.008 20 0 GDADRO Cc1ccc(I)cc1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000478642006 531346913 /nfs/dbraw/zinc/34/69/13/531346913.db2.gz VZTCHKYAASVXOE-CQSZACIVSA-N 1 0 385.249 1.928 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(C)cc(Br)c2)[C@H](C[NH3+])C1 ZINC000440842155 531347057 /nfs/dbraw/zinc/34/70/57/531347057.db2.gz DOORYGWQOAEEEU-QWHCGFSZSA-N 1 0 377.304 1.884 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000440841095 531347253 /nfs/dbraw/zinc/34/72/53/531347253.db2.gz BEGKUDPHSUBFTN-VXGBXAGGSA-N 1 0 393.303 1.585 20 0 GDADRO C[N@H+](CCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000441174216 531354929 /nfs/dbraw/zinc/35/49/29/531354929.db2.gz DIKWZEMNYBHHRT-UHFFFAOYSA-N 1 0 392.884 1.151 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000266583717 531355680 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377.869 1.773 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000441959795 531367647 /nfs/dbraw/zinc/36/76/47/531367647.db2.gz ONMKASRDMBEJLA-NRXISQOPSA-N 1 0 379.592 1.284 20 0 GDADRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)sc1S(N)(=O)=O ZINC000442288702 531371823 /nfs/dbraw/zinc/37/18/23/531371823.db2.gz ZNTQZBCPZBIOLY-MNOVXSKESA-N 1 0 375.516 1.397 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c(Cl)c1 ZINC000481390022 531385625 /nfs/dbraw/zinc/38/56/25/531385625.db2.gz KIXFJLGZCGIKEI-OAHLLOKOSA-N 1 0 392.930 1.842 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000278755253 531386344 /nfs/dbraw/zinc/38/63/44/531386344.db2.gz JSIRHPKLIZPENQ-UHFFFAOYSA-N 1 0 375.922 1.653 20 0 GDADRO CC[C@H]([NH2+]C[C@H](O)[C@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481654923 531388788 /nfs/dbraw/zinc/38/87/88/531388788.db2.gz DKWAFAPQBXSHSI-QEJZJMRPSA-N 1 0 376.906 1.686 20 0 GDADRO Cn1ncc(CCC[NH2+]Cc2cn(-c3ccccc3Br)nn2)n1 ZINC000292940875 531390011 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GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1Br ZINC000447239545 531421617 /nfs/dbraw/zinc/42/16/17/531421617.db2.gz NOSULCWPSDNTTQ-BXKDBHETSA-N 1 0 390.303 1.684 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293462497 531422291 /nfs/dbraw/zinc/42/22/91/531422291.db2.gz QDQSEIOHSVZUQH-DZGCQCFKSA-N 1 0 383.539 1.286 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000447253228 531422873 /nfs/dbraw/zinc/42/28/73/531422873.db2.gz WXVNJXRXBQSKNN-VHSXEESVSA-N 1 0 393.303 1.824 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1Br ZINC000447252106 531422950 /nfs/dbraw/zinc/42/29/50/531422950.db2.gz QSTLYAHPDFKULG-ZJUUUORDSA-N 1 0 393.303 1.824 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000293384633 531418461 /nfs/dbraw/zinc/41/84/61/531418461.db2.gz WJBDGQZELMJDAC-AWEZNQCLSA-N 1 0 387.933 1.548 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000532578036 531423593 /nfs/dbraw/zinc/42/35/93/531423593.db2.gz RDNQLTZSBQMGLT-YIYPIFLZSA-N 1 0 385.555 1.726 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293462501 531423314 /nfs/dbraw/zinc/42/33/14/531423314.db2.gz QDQSEIOHSVZUQH-UKRRQHHQSA-N 1 0 383.539 1.286 20 0 GDADRO Cc1c(Cl)c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)sc1S(N)(=O)=O ZINC000279407446 531430995 /nfs/dbraw/zinc/43/09/95/531430995.db2.gz KEJQRDKCYAIJFE-VHSXEESVSA-N 1 0 379.935 1.960 20 0 GDADRO Cc1cc(OC[C@H](O)CN2CC[NH+](C)CC2)ccc1I ZINC000414121619 531431048 /nfs/dbraw/zinc/43/10/48/531431048.db2.gz HKWJYKGRWOFTCO-CYBMUJFWSA-N 1 0 390.265 1.587 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000414125050 531431363 /nfs/dbraw/zinc/43/13/63/531431363.db2.gz PXYMRYMLSZMVRW-ZBFHGGJFSA-N 1 0 386.334 1.682 20 0 GDADRO CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414248939 531436861 /nfs/dbraw/zinc/43/68/61/531436861.db2.gz FATSMYZEKKWKNQ-AWEZNQCLSA-N 1 0 375.922 1.434 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)s1 ZINC000414258669 531437064 /nfs/dbraw/zinc/43/70/64/531437064.db2.gz LZLYIVRVJHDGPG-UHFFFAOYSA-N 1 0 385.511 1.496 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CC[NH+](C)C)c(Br)cc1F ZINC000267524866 531432368 /nfs/dbraw/zinc/43/23/68/531432368.db2.gz HQWSFTGTZOFONE-UHFFFAOYSA-N 1 0 397.266 1.557 20 0 GDADRO Cc1c(C(=O)NC[C@H](C)C[NH+](C)C)cc(Br)cc1S(N)(=O)=O ZINC000293607037 531432615 /nfs/dbraw/zinc/43/26/15/531432615.db2.gz BDTPXCSPROPLMY-VIFPVBQESA-N 1 0 392.319 1.332 20 0 GDADRO CCOCCOc1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000534172420 531434619 /nfs/dbraw/zinc/43/46/19/531434619.db2.gz YTOPTJOXJGPWIV-SJORKVTESA-N 1 0 388.555 1.768 20 0 GDADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C[C@@H](O)CN1CCOCC1 ZINC000267616820 531439707 /nfs/dbraw/zinc/43/97/07/531439707.db2.gz PGCXUVCBPAKYRX-HUUCEWRRSA-N 1 0 393.311 1.358 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447905551 531440524 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GDADRO Cc1cccc(S(=O)(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1Cl ZINC000361048045 531444815 /nfs/dbraw/zinc/44/48/15/531444815.db2.gz IFTRQTLPLBTNMO-AWEZNQCLSA-N 1 0 385.917 1.751 20 0 GDADRO O=C1CNCCN1[C@@H]1CCC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000486454389 531452124 /nfs/dbraw/zinc/45/21/24/531452124.db2.gz ISTNIUWJIFTSPM-OAHLLOKOSA-N 1 0 382.302 1.724 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cccc(S(N)(=O)=O)c1 ZINC000537012645 531454428 /nfs/dbraw/zinc/45/44/28/531454428.db2.gz ZZKRJBQRUZYEMF-LBPRGKRZSA-N 1 0 383.495 1.556 20 0 GDADRO C[NH+](C)CCN1C(=O)C[C@H](N2CCc3c(F)ccc(Br)c3C2)C1=O ZINC000448555191 531454985 /nfs/dbraw/zinc/45/49/85/531454985.db2.gz KVRAYIVVYRMJKI-HNNXBMFYSA-N 1 0 398.276 1.635 20 0 GDADRO Cc1oc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000267824720 531455487 /nfs/dbraw/zinc/45/54/87/531455487.db2.gz AUITTWCARCNORO-CYBMUJFWSA-N 1 0 385.511 1.933 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccccc3S(C)(=O)=O)C2)CC1 ZINC000362175106 531457226 /nfs/dbraw/zinc/45/72/26/531457226.db2.gz BEYZGOJDRHXFFE-HNNXBMFYSA-N 1 0 386.539 1.443 20 0 GDADRO CS[C@H]1CN(CC(=O)N2CCN(Cc3ccsc3)CC2)C[C@H]1[NH+](C)C ZINC000537275300 531457618 /nfs/dbraw/zinc/45/76/18/531457618.db2.gz FPQPSZYZVSKOLC-SJORKVTESA-N 1 0 382.599 1.370 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415323380 531474409 /nfs/dbraw/zinc/47/44/09/531474409.db2.gz CJCMOKCMMUOPPU-MRVPVSSYSA-N 1 0 376.201 1.782 20 0 GDADRO CS(=O)(=O)c1ccc(OCCCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000449717437 531474541 /nfs/dbraw/zinc/47/45/41/531474541.db2.gz ICQARPSTZYTCCM-ZDUSSCGKSA-N 1 0 382.404 1.645 20 0 GDADRO O=C(Nc1ccc(Br)cc1Br)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415321318 531475006 /nfs/dbraw/zinc/47/50/06/531475006.db2.gz CWLITVCJEODSER-QMMMGPOBSA-N 1 0 391.063 1.628 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449722181 531475372 /nfs/dbraw/zinc/47/53/72/531475372.db2.gz PMGGEWPLWYGNTI-LDYMZIIASA-N 1 0 396.207 1.963 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1Cl ZINC000415331221 531475599 /nfs/dbraw/zinc/47/55/99/531475599.db2.gz OZCRNGHBYIOZRI-VIFPVBQESA-N 1 0 376.240 1.435 20 0 GDADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000415329073 531475809 /nfs/dbraw/zinc/47/58/09/531475809.db2.gz MQPBBSKQOPRCEC-UHFFFAOYSA-N 1 0 384.933 1.800 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000280153022 531476751 /nfs/dbraw/zinc/47/67/51/531476751.db2.gz BIRWBDWJCQQPMO-AWEZNQCLSA-N 1 0 387.527 1.124 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2c(Br)cnn2C)CC1 ZINC000449821986 531477269 /nfs/dbraw/zinc/47/72/69/531477269.db2.gz BAZGHKKLXXUPLQ-KBPBESRZSA-N 1 0 398.349 1.813 20 0 GDADRO COc1ccc(Br)cc1C[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000414594111 531460182 /nfs/dbraw/zinc/46/01/82/531460182.db2.gz XHNNVRDKXLMTBD-UHFFFAOYSA-N 1 0 382.262 1.718 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000414673431 531461734 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CCS(=O)(=O)N(C)CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000486874723 531464554 /nfs/dbraw/zinc/46/45/54/531464554.db2.gz OLGPBIIXOWNRTH-UHFFFAOYSA-N 1 0 385.555 1.498 20 0 GDADRO Cn1ncc(Br)c1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000449821450 531477595 /nfs/dbraw/zinc/47/75/95/531477595.db2.gz QCVHWZMKBLYIPR-UHFFFAOYSA-N 1 0 385.306 1.757 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000415192533 531467127 /nfs/dbraw/zinc/46/71/27/531467127.db2.gz VDLAMQXAASEDKJ-LLVKDONJSA-N 1 0 380.392 1.401 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000362932451 531467167 /nfs/dbraw/zinc/46/71/67/531467167.db2.gz OCNGOUDSLGFEPK-STQMWFEESA-N 1 0 396.285 1.675 20 0 GDADRO C[C@H](C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449224212 531467510 /nfs/dbraw/zinc/46/75/10/531467510.db2.gz PZEQISJQGDSZDO-UKPHBRMFSA-N 1 0 388.555 1.501 20 0 GDADRO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449304286 531469285 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C[C@@H]1CC2(CN1C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000581826063 531516000 /nfs/dbraw/zinc/51/60/00/531516000.db2.gz QBKICJQIYQRWRI-CYBMUJFWSA-N 1 0 385.917 1.609 20 0 GDADRO O[C@@H](C[NH2+]Cc1cnccn1)COc1ccc(I)cc1 ZINC000581771498 531516377 /nfs/dbraw/zinc/51/63/77/531516377.db2.gz DBODAWVMRRUAGZ-ZDUSSCGKSA-N 1 0 385.205 1.611 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2ccc(F)cc2Br)CCC[NH2+]1 ZINC000415707676 531516537 /nfs/dbraw/zinc/51/65/37/531516537.db2.gz NAOMEGHIQUOTEE-OAHLLOKOSA-N 1 0 388.237 1.412 20 0 GDADRO CN1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)[C@@H]2C1 ZINC000295084041 531519666 /nfs/dbraw/zinc/51/96/66/531519666.db2.gz DRAGFPWJACCOSE-BXUZGUMPSA-N 1 0 392.930 1.458 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415704684 531517020 /nfs/dbraw/zinc/51/70/20/531517020.db2.gz HDQWQVBXSQZYAI-CQSZACIVSA-N 1 0 395.301 1.202 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2ccc(Br)cc2F)CCC[NH2+]1 ZINC000415703594 531517313 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O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415858911 531545062 /nfs/dbraw/zinc/54/50/62/531545062.db2.gz FSCOVVQPQWENRX-LLVKDONJSA-N 1 0 392.253 1.645 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000551741750 531545288 /nfs/dbraw/zinc/54/52/88/531545288.db2.gz JETJXAAXTBMBFT-GFCCVEGCSA-N 1 0 382.404 1.974 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Br ZINC000415865858 531546198 /nfs/dbraw/zinc/54/61/98/531546198.db2.gz JBYNWMNJBFCSGH-NEPJUHHUSA-N 1 0 396.285 1.854 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Br ZINC000415865861 531546223 /nfs/dbraw/zinc/54/62/23/531546223.db2.gz JBYNWMNJBFCSGH-RYUDHWBXSA-N 1 0 396.285 1.854 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000415869744 531546934 /nfs/dbraw/zinc/54/69/34/531546934.db2.gz LIHDJGGHIYEVLW-IJLUTSLNSA-N 1 0 396.285 1.901 20 0 GDADRO C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)Oc1ccc(Br)cc1 ZINC000491055011 531547193 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O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000451115718 531550854 /nfs/dbraw/zinc/55/08/54/531550854.db2.gz PBANIIWQZAAQTB-QGZVFWFLSA-N 1 0 392.587 1.339 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000659679811 531550929 /nfs/dbraw/zinc/55/09/29/531550929.db2.gz FEWNYJNHEDRWMS-UHFFFAOYSA-N 1 0 384.249 1.197 20 0 GDADRO Cc1cc(Br)cn2c(CN3CCN([C@@H]4CC[NH2+]C4)CC3)cnc12 ZINC000491193974 531550930 /nfs/dbraw/zinc/55/09/30/531550930.db2.gz HXGRQAQAOARCBJ-OAHLLOKOSA-N 1 0 378.318 1.885 20 0 GDADRO [NH3+]Cc1cc(NC(=O)NCCN2CCCS2(=O)=O)cc(C(F)(F)F)c1 ZINC000415978310 531551544 /nfs/dbraw/zinc/55/15/44/531551544.db2.gz XLEVRXJNTIJUFY-UHFFFAOYSA-N 1 0 380.392 1.321 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000659675406 531551629 /nfs/dbraw/zinc/55/16/29/531551629.db2.gz OKXRHCDGVSPYNU-LBPRGKRZSA-N 1 0 397.317 1.340 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416001136 531551923 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C[C@H]1CN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000417465695 531775067 /nfs/dbraw/zinc/77/50/67/531775067.db2.gz SPPATGADOSHPEN-STQMWFEESA-N 1 0 397.317 1.961 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000417481441 531776836 /nfs/dbraw/zinc/77/68/36/531776836.db2.gz HKNOGXKPYYQOEU-CHWSQXEVSA-N 1 0 397.317 1.961 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417493632 531778333 /nfs/dbraw/zinc/77/83/33/531778333.db2.gz WLKSWVJUOKQGQK-STQMWFEESA-N 1 0 397.317 1.948 20 0 GDADRO [NH3+][C@@H](CO)Cc1cn(Cc2cccc(Br)c2OC(F)F)nn1 ZINC000641122207 531779110 /nfs/dbraw/zinc/77/91/10/531779110.db2.gz BVFKAVAKKONBOJ-SECBINFHSA-N 1 0 377.189 1.552 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)NC[C@@H]3C[NH2+]CCN3C)s2)cs1 ZINC000562795605 531779581 /nfs/dbraw/zinc/77/95/81/531779581.db2.gz OLQYOPJWPONMEO-ZDUSSCGKSA-N 1 0 379.555 1.925 20 0 GDADRO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000512852565 531800925 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CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000622882249 531787998 /nfs/dbraw/zinc/78/79/98/531787998.db2.gz GOZREMXTQZWDRD-CYBMUJFWSA-N 1 0 393.289 1.980 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c(C)s1 ZINC000417907859 531788641 /nfs/dbraw/zinc/78/86/41/531788641.db2.gz FXJJMNLOCHFUPF-ZIAGYGMSSA-N 1 0 388.559 1.460 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCC[C@H]2CCC[NH2+]C2)c(C)s1 ZINC000417911056 531788888 /nfs/dbraw/zinc/78/88/88/531788888.db2.gz KUJMKKMNIIVIJV-CQSZACIVSA-N 1 0 388.559 1.332 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417916512 531791522 /nfs/dbraw/zinc/79/15/22/531791522.db2.gz VKJVBFXIOMSYIY-RYUDHWBXSA-N 1 0 385.306 1.821 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000417921129 531791540 /nfs/dbraw/zinc/79/15/40/531791540.db2.gz CTQCPTIBIAYANE-UHFFFAOYSA-N 1 0 380.923 1.121 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cccc(I)c1 ZINC000592524718 531792350 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HEDQKNMZMTWFRH-NWDGAFQWSA-N 1 0 397.273 1.070 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3C[NH2+]CCCO3)nc12 ZINC000563583932 531853662 /nfs/dbraw/zinc/85/36/62/531853662.db2.gz FXVHRRWCUNRLSD-CQSZACIVSA-N 1 0 396.289 1.583 20 0 GDADRO CC1(C)[C@H]([NH3+])C[C@H]1NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000641803808 531853739 /nfs/dbraw/zinc/85/37/39/531853739.db2.gz HWMGVWTYYVZMIQ-CHWSQXEVSA-N 1 0 383.290 1.219 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000563585639 531854053 /nfs/dbraw/zinc/85/40/53/531854053.db2.gz QPDZXBCTHASTQQ-AWEZNQCLSA-N 1 0 386.543 1.200 20 0 GDADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000624390591 531841110 /nfs/dbraw/zinc/84/11/10/531841110.db2.gz DUOOVSHNEHIWAZ-SKDRFNHKSA-N 1 0 399.822 1.587 20 0 GDADRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C[NH2+]1 ZINC000624405031 531842641 /nfs/dbraw/zinc/84/26/41/531842641.db2.gz ANSYKSMHZKQFDI-GHMZBOCLSA-N 1 0 376.320 1.934 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418800510 531842780 /nfs/dbraw/zinc/84/27/80/531842780.db2.gz BOUILBYMNSAHOM-NPZRNVLXSA-N 1 0 398.276 1.769 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418812299 531844619 /nfs/dbraw/zinc/84/46/19/531844619.db2.gz RGGKGCPAJYXTSK-GWOFURMSSA-N 1 0 386.315 1.597 20 0 GDADRO CO[C@H](CS(=O)(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C)C1CCOCC1 ZINC000641626096 531845116 /nfs/dbraw/zinc/84/51/16/531845116.db2.gz YSKGKXUMCDZHAU-CGTJXYLNSA-N 1 0 376.563 1.810 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000563445700 531845162 /nfs/dbraw/zinc/84/51/62/531845162.db2.gz IZIXMRNFYOHWAC-CYBMUJFWSA-N 1 0 381.489 1.332 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418815822 531845280 /nfs/dbraw/zinc/84/52/80/531845280.db2.gz XIZKUGMGJQWNOY-HBNTYKKESA-N 1 0 386.315 1.823 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC[C@@H]1[NH3+] ZINC000418817352 531845877 /nfs/dbraw/zinc/84/58/77/531845877.db2.gz ZZBHIFZRQYFOFR-PBUVFVDJSA-N 1 0 398.276 1.756 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418817203 531846153 /nfs/dbraw/zinc/84/61/53/531846153.db2.gz ZMMLMAPRGZUUJI-SWLSCSKDSA-N 1 0 396.260 1.596 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000418821752 531846360 /nfs/dbraw/zinc/84/63/60/531846360.db2.gz VUWSFHHFMTWGGQ-TYNCELHUSA-N 1 0 386.279 1.542 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418828938 531848159 /nfs/dbraw/zinc/84/81/59/531848159.db2.gz IKICSCDMZVOIHN-SPWCGHHHSA-N 1 0 380.286 1.665 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418934108 531866597 /nfs/dbraw/zinc/86/65/97/531866597.db2.gz BKNUSAFEWZEXKV-DZGCQCFKSA-N 1 0 380.286 1.892 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCCCC[NH3+])Sc1ccc(Br)cc1 ZINC000418932116 531866773 /nfs/dbraw/zinc/86/67/73/531866773.db2.gz FUPOPSJLCRBLNP-LLVKDONJSA-N 1 0 388.331 1.901 20 0 GDADRO C[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])Sc1ccc(Br)cc1 ZINC000418931860 531866780 /nfs/dbraw/zinc/86/67/80/531866780.db2.gz FDYFBPQFQPBCJN-GHMZBOCLSA-N 1 0 388.331 1.852 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[C@@H](C)S1(=O)=O ZINC000643005989 531866910 /nfs/dbraw/zinc/86/69/10/531866910.db2.gz ROWOTTRPESRQHG-HUUCEWRRSA-N 1 0 382.551 1.883 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000643093739 531867670 /nfs/dbraw/zinc/86/76/70/531867670.db2.gz CWEMBTLZFCTHJW-UHFFFAOYSA-N 1 0 387.933 1.843 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000283504435 531869028 /nfs/dbraw/zinc/86/90/28/531869028.db2.gz VNJSUGNFGRATIC-SECBINFHSA-N 1 0 390.303 1.228 20 0 GDADRO NC(=O)c1csc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1 ZINC000563594713 531857080 /nfs/dbraw/zinc/85/70/80/531857080.db2.gz FCNGPYKULOMWKF-UHFFFAOYSA-N 1 0 397.298 2.453 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418863116 531857161 /nfs/dbraw/zinc/85/71/61/531857161.db2.gz ILRLXMUWXDLOTH-STQMWFEESA-N 1 0 395.301 1.012 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)cn1 ZINC000418870760 531858680 /nfs/dbraw/zinc/85/86/80/531858680.db2.gz STOPJLLDSFJFOW-WDMOLILDSA-N 1 0 383.290 1.655 20 0 GDADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000642518785 531859453 /nfs/dbraw/zinc/85/94/53/531859453.db2.gz YFUJCENUXPMKIM-INIZCTEOSA-N 1 0 389.543 1.123 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CCC1 ZINC000418886471 531860440 /nfs/dbraw/zinc/86/04/40/531860440.db2.gz QSSPZQYEJXGHST-LLVKDONJSA-N 1 0 386.221 1.136 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CCO1 ZINC000642756843 531863059 /nfs/dbraw/zinc/86/30/59/531863059.db2.gz CUPLETBOTYJENV-UHIISALHSA-N 1 0 388.295 1.788 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000563809595 531863600 /nfs/dbraw/zinc/86/36/00/531863600.db2.gz JGYFEZNODPTLAO-OTYXRUKQSA-N 1 0 389.315 1.889 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418919800 531863808 /nfs/dbraw/zinc/86/38/08/531863808.db2.gz AUIFCCKMKVKMCX-GJZGRUSLSA-N 1 0 380.286 1.966 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000455158009 531863981 /nfs/dbraw/zinc/86/39/81/531863981.db2.gz NIJYSHJPOFFKPV-KGLIPLIRSA-N 1 0 383.290 1.537 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000283438823 531864809 /nfs/dbraw/zinc/86/48/09/531864809.db2.gz BOWPUEBUGAXDBV-MLGOLLRUSA-N 1 0 394.313 1.707 20 0 GDADRO CSC1(CNC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)CC[NH+](C)CC1 ZINC000563846879 531865200 /nfs/dbraw/zinc/86/52/00/531865200.db2.gz VSOJOOYKEIBTQK-CABCVRRESA-N 1 0 389.587 1.565 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418950020 531871002 /nfs/dbraw/zinc/87/10/02/531871002.db2.gz ORLDPIWRLBPQDZ-DGCLKSJQSA-N 1 0 384.274 1.188 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)C[C@@H]1[NH3+] ZINC000418967224 531873676 /nfs/dbraw/zinc/87/36/76/531873676.db2.gz OUVKZQSUMWWDJE-ZANVPECISA-N 1 0 383.279 1.939 20 0 GDADRO COC(=O)[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccccc1Br ZINC000595256635 531873706 /nfs/dbraw/zinc/87/37/06/531873706.db2.gz PHWFYJOMTZZWQD-ABAIWWIYSA-N 1 0 385.258 1.548 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418969987 531874317 /nfs/dbraw/zinc/87/43/17/531874317.db2.gz JVGUCXBYZUXPCW-ONGXEEELSA-N 1 0 394.273 1.198 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418969423 531874347 /nfs/dbraw/zinc/87/43/47/531874347.db2.gz JACMOQUKPBINHK-GXSJLCMTSA-N 1 0 394.273 1.185 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418987572 531875242 /nfs/dbraw/zinc/87/52/42/531875242.db2.gz HOYREICLHHQLDC-GASCZTMLSA-N 1 0 380.286 1.461 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418984429 531875851 /nfs/dbraw/zinc/87/58/51/531875851.db2.gz DKHOJXJIONCGSM-AWEZNQCLSA-N 1 0 382.302 1.614 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc1Br ZINC000419001369 531876928 /nfs/dbraw/zinc/87/69/28/531876928.db2.gz ARXWCDSENNFITR-GWCFXTLKSA-N 1 0 386.290 1.734 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1Br ZINC000418993852 531877100 /nfs/dbraw/zinc/87/71/00/531877100.db2.gz PUAINRRBNGZAAO-ABAIWWIYSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000418995705 531877424 /nfs/dbraw/zinc/87/74/24/531877424.db2.gz DIZPWDSIQQDHLW-QWRGUYRKSA-N 1 0 381.420 1.244 20 0 GDADRO Cc1cc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)ccc1Br ZINC000418992918 531877574 /nfs/dbraw/zinc/87/75/74/531877574.db2.gz ONJLJLVVXABRMO-RISCZKNCSA-N 1 0 398.301 1.603 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418997344 531877589 /nfs/dbraw/zinc/87/75/89/531877589.db2.gz UCVUKTRDWFIUOG-HNNXBMFYSA-N 1 0 384.318 1.940 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000298328301 531877584 /nfs/dbraw/zinc/87/75/84/531877584.db2.gz RJNWTZFEKUEAKE-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)cc1Br ZINC000419001332 531877724 /nfs/dbraw/zinc/87/77/24/531877724.db2.gz APKYKCTUNDDKFI-RYUDHWBXSA-N 1 0 398.301 1.751 20 0 GDADRO Cc1nc(CS(=O)(=O)NCc2ccncc2OCCC[NH+](C)C)cs1 ZINC000673580150 531879917 /nfs/dbraw/zinc/87/99/17/531879917.db2.gz YJDPUPLBXCXXBQ-UHFFFAOYSA-N 1 0 384.527 1.797 20 0 GDADRO O=C(C[NH2+]C[C@H]1CCCO1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000566101606 531880315 /nfs/dbraw/zinc/88/03/15/531880315.db2.gz YJLRGILBBNVOAG-CYBMUJFWSA-N 1 0 395.257 1.884 20 0 GDADRO C[C@@H](CNC(=O)CNC(=O)c1ccccc1I)[NH+](C)C ZINC000298399694 531884590 /nfs/dbraw/zinc/88/45/90/531884590.db2.gz GHBADQUYWLXVLL-JTQLQIEISA-N 1 0 389.237 1.087 20 0 GDADRO CCCS(=O)(=O)NC1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000298384714 531883029 /nfs/dbraw/zinc/88/30/29/531883029.db2.gz DMBQNBRIJVGPHM-OAHLLOKOSA-N 1 0 376.544 1.419 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419025076 531883413 /nfs/dbraw/zinc/88/34/13/531883413.db2.gz RUHYHEPTLKFKPE-MISXGVKJSA-N 1 0 396.285 1.585 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000419024027 531883480 /nfs/dbraw/zinc/88/34/80/531883480.db2.gz PVHBSLYLWJCTDJ-FZMZJTMJSA-N 1 0 396.285 1.457 20 0 GDADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564889755 531869443 /nfs/dbraw/zinc/86/94/43/531869443.db2.gz LIJGEQWINVQWFZ-CYBMUJFWSA-N 1 0 387.267 1.259 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1cc(F)cc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000418946828 531870283 /nfs/dbraw/zinc/87/02/83/531870283.db2.gz OVCTUOINTJYYDB-ZYHUDNBSSA-N 1 0 386.265 1.709 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2cc(C)ccc2Br)[C@@H](C[NH3+])C1 ZINC000419049935 531891308 /nfs/dbraw/zinc/89/13/08/531891308.db2.gz BVQYDIQXVCMCDR-KGLIPLIRSA-N 1 0 398.301 1.338 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000456174024 531899568 /nfs/dbraw/zinc/89/95/68/531899568.db2.gz URVDZYUZVDDBDA-OSAQELSMSA-N 1 0 380.286 1.730 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419052419 531892710 /nfs/dbraw/zinc/89/27/10/531892710.db2.gz HUQHNKXIJXAEML-UPJWGTAASA-N 1 0 382.302 1.705 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419051975 531892862 /nfs/dbraw/zinc/89/28/62/531892862.db2.gz GXXJJCDDZZAORX-JSGCOSHPSA-N 1 0 382.302 1.755 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1)C[NH+]1CCCC1 ZINC000283780177 531894065 /nfs/dbraw/zinc/89/40/65/531894065.db2.gz CMHAQRIIWLBACH-ZIAGYGMSSA-N 1 0 382.555 1.608 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1sc2c(c1I)CNC2 ZINC000595949438 531895588 /nfs/dbraw/zinc/89/55/88/531895588.db2.gz DKVRNSXQIMMKKD-APPZFPTMSA-N 1 0 391.278 1.684 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1sc2c(c1I)CNC2 ZINC000595949540 531896060 /nfs/dbraw/zinc/89/60/60/531896060.db2.gz WPOJVKJWNUBRBP-HTQZYQBOSA-N 1 0 391.278 1.765 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C[C@@H](C)[NH2+]1 ZINC000419063994 531896497 /nfs/dbraw/zinc/89/64/97/531896497.db2.gz HCZAMWYWESNMBX-NXEZZACHSA-N 1 0 388.693 1.928 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419079334 531898157 /nfs/dbraw/zinc/89/81/57/531898157.db2.gz USWNFPXWVPOIHG-LBPRGKRZSA-N 1 0 397.317 1.245 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419076028 531898338 /nfs/dbraw/zinc/89/83/38/531898338.db2.gz VMLHHPWRGOTABH-ONGXEEELSA-N 1 0 388.693 1.914 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C[C@@H](C)[NH2+]1 ZINC000419038643 531885418 /nfs/dbraw/zinc/88/54/18/531885418.db2.gz FWOBEAYGVOSBHA-NXEZZACHSA-N 1 0 375.803 1.766 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419036753 531885614 /nfs/dbraw/zinc/88/56/14/531885614.db2.gz GZRFJMVKQNLDQY-RISCZKNCSA-N 1 0 396.285 1.505 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419042766 531888169 /nfs/dbraw/zinc/88/81/69/531888169.db2.gz MDJIEUZWTSICDQ-BBBLOLIVSA-N 1 0 378.420 1.925 20 0 GDADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419042923 531888502 /nfs/dbraw/zinc/88/85/02/531888502.db2.gz QEAQOFBQCMDNAL-UHIISALHSA-N 1 0 394.269 1.067 20 0 GDADRO O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647871168 531899463 /nfs/dbraw/zinc/89/94/63/531899463.db2.gz UBMRDTSIZWDGAE-CYBMUJFWSA-N 1 0 388.331 1.365 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419044559 531890018 /nfs/dbraw/zinc/89/00/18/531890018.db2.gz PZXKCUDBNKVUKG-JOYOIKCWSA-N 1 0 375.803 1.672 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC[N@@H+](C2CCC2)C1 ZINC000566687680 531890600 /nfs/dbraw/zinc/89/06/00/531890600.db2.gz NWBKGJVOAPPNLN-LBPRGKRZSA-N 1 0 385.917 1.934 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419158024 531906126 /nfs/dbraw/zinc/90/61/26/531906126.db2.gz MJUKIOMJPNZLBF-MRVPVSSYSA-N 1 0 396.207 1.938 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419162391 531906992 /nfs/dbraw/zinc/90/69/92/531906992.db2.gz HDKGYWUPJKHZKI-STQMWFEESA-N 1 0 382.302 1.960 20 0 GDADRO CC1(CNC(=O)C(=O)NCc2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000419161532 531907128 /nfs/dbraw/zinc/90/71/28/531907128.db2.gz RWUMZZHMXJRPPX-UHFFFAOYSA-N 1 0 386.265 1.710 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419163843 531907313 /nfs/dbraw/zinc/90/73/13/531907313.db2.gz KQXZNPAMHYSMFG-CABCVRRESA-N 1 0 380.286 1.727 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1Br ZINC000419162626 531907795 /nfs/dbraw/zinc/90/77/95/531907795.db2.gz HNWRUDSKEYDKPR-RISCZKNCSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(CCCOc1ccc(I)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368385818 531907978 /nfs/dbraw/zinc/90/79/78/531907978.db2.gz QZIPKZSLAUUXMW-NHAGDIPZSA-N 1 0 386.233 1.784 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000419186466 531909810 /nfs/dbraw/zinc/90/98/10/531909810.db2.gz IFWZLDOIKNSPCO-UKRRQHHQSA-N 1 0 382.302 1.742 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419188620 531909898 /nfs/dbraw/zinc/90/98/98/531909898.db2.gz KEKTWTFFJIDUAN-CQSZACIVSA-N 1 0 382.302 1.614 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419185309 531910298 /nfs/dbraw/zinc/91/02/98/531910298.db2.gz KQMWZGAZHBSBLA-SWLSCSKDSA-N 1 0 396.329 1.957 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419190522 531910486 /nfs/dbraw/zinc/91/04/86/531910486.db2.gz QTDALGCOVBMXFK-AWEZNQCLSA-N 1 0 384.318 1.942 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419200760 531911744 /nfs/dbraw/zinc/91/17/44/531911744.db2.gz MHHXDVKXJNWFGH-UHFFFAOYSA-N 1 0 382.302 1.794 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)ccc1SC ZINC000675819571 531912085 /nfs/dbraw/zinc/91/20/85/531912085.db2.gz PSWIFGVMJJHDDF-CQSZACIVSA-N 1 0 387.571 1.645 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1Br ZINC000419192871 531912096 /nfs/dbraw/zinc/91/20/96/531912096.db2.gz TYRUSVKIARZJDD-LBPRGKRZSA-N 1 0 382.302 1.650 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCc2ccccc2Br)C[C@H]1C[NH3+] ZINC000419197482 531912351 /nfs/dbraw/zinc/91/23/51/531912351.db2.gz BDVCCGMRFNAKBW-GXTWGEPZSA-N 1 0 382.302 1.551 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000568542928 531913094 /nfs/dbraw/zinc/91/30/94/531913094.db2.gz AVYPJZOQZDSKGR-LBPRGKRZSA-N 1 0 386.290 1.681 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419205091 531913649 /nfs/dbraw/zinc/91/36/49/531913649.db2.gz KBFALNQMLINNLV-PHIMTYICSA-N 1 0 384.274 1.283 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N3CCC[NH2+]CC3)s2)cs1 ZINC000419081731 531899853 /nfs/dbraw/zinc/89/98/53/531899853.db2.gz OSWVCTZFRAVKSM-UHFFFAOYSA-N 1 0 378.523 1.661 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000419088815 531899946 /nfs/dbraw/zinc/89/99/46/531899946.db2.gz BYQLIRHELSPFCZ-YGRLFVJLSA-N 1 0 386.279 1.673 20 0 GDADRO CC(=O)N[C@H](CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccc(Br)cc1 ZINC000647876021 531900256 /nfs/dbraw/zinc/90/02/56/531900256.db2.gz NXKPZPXKASZDJC-LYRGGWFBSA-N 1 0 398.301 1.591 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(I)cc1F ZINC000595969215 531900302 /nfs/dbraw/zinc/90/03/02/531900302.db2.gz MFPKUIFHRLVVHQ-SECBINFHSA-N 1 0 380.157 1.649 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000595970213 531901006 /nfs/dbraw/zinc/90/10/06/531901006.db2.gz UKVUCZFBFQCWFP-LBPRGKRZSA-N 1 0 380.242 1.706 20 0 GDADRO [NH3+]CCNC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000419106919 531901511 /nfs/dbraw/zinc/90/15/11/531901511.db2.gz KCQSTLAOSJQZFL-JTQLQIEISA-N 1 0 382.180 1.634 20 0 GDADRO C[NH+](C)CCN1CCN(Cc2ccc(Br)c(F)c2F)CC1=O ZINC000625510996 531901521 /nfs/dbraw/zinc/90/15/21/531901521.db2.gz MVLZKOCEGPVRLB-UHFFFAOYSA-N 1 0 376.245 1.933 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419130233 531902450 /nfs/dbraw/zinc/90/24/50/531902450.db2.gz DZTXJLDKKFOFJV-RNCFNFMXSA-N 1 0 388.693 1.833 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419132929 531902457 /nfs/dbraw/zinc/90/24/57/531902457.db2.gz CCJHTPQPJSPQBU-UHFFFAOYSA-N 1 0 376.284 1.694 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)NCCCC[NH3+] ZINC000419129788 531902471 /nfs/dbraw/zinc/90/24/71/531902471.db2.gz AKNBIVUKMVZVJM-UHFFFAOYSA-N 1 0 386.290 1.362 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(Br)o1)C[NH+]1CCCC1 ZINC000283842343 531903637 /nfs/dbraw/zinc/90/36/37/531903637.db2.gz MBYMNZQSHCOBLW-LBPRGKRZSA-N 1 0 386.290 1.849 20 0 GDADRO CC1([NH3+])CCN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000647926440 531904812 /nfs/dbraw/zinc/90/48/12/531904812.db2.gz DCKHKPCUNQEOJO-AWEZNQCLSA-N 1 0 385.555 1.077 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCOc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000419251946 531917862 /nfs/dbraw/zinc/91/78/62/531917862.db2.gz BNEDEIOZQVRFSD-FZMZJTMJSA-N 1 0 384.274 1.140 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)C(F)(F)F ZINC000625899202 531919650 /nfs/dbraw/zinc/91/96/50/531919650.db2.gz MMKLKRDEPXQODT-GXSJLCMTSA-N 1 0 382.745 1.773 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419262521 531920073 /nfs/dbraw/zinc/92/00/73/531920073.db2.gz SSIAABYWHYTETQ-SWLSCSKDSA-N 1 0 398.301 1.578 20 0 GDADRO CNC(=O)CN1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000284012411 531921146 /nfs/dbraw/zinc/92/11/46/531921146.db2.gz PZXPOLBQQVUCBZ-UHFFFAOYSA-N 1 0 387.265 1.591 20 0 GDADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419289915 531921362 /nfs/dbraw/zinc/92/13/62/531921362.db2.gz VCVYCAPWKDKGMO-FZMZJTMJSA-N 1 0 388.295 1.535 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419305797 531922316 /nfs/dbraw/zinc/92/23/16/531922316.db2.gz XHABKBKECOXXPE-CHWSQXEVSA-N 1 0 382.302 1.878 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419301831 531922993 /nfs/dbraw/zinc/92/29/93/531922993.db2.gz OLZSKMQVCLMPFX-TZMCWYRMSA-N 1 0 382.302 1.926 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NCCC[NH+](C)C)c1 ZINC000298801550 531923221 /nfs/dbraw/zinc/92/32/21/531923221.db2.gz GOPVTYAYUQUXPZ-UHFFFAOYSA-N 1 0 379.276 1.466 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000626166776 531923922 /nfs/dbraw/zinc/92/39/22/531923922.db2.gz FXHCCHQPRCYWHC-GJZGRUSLSA-N 1 0 390.933 1.649 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)[C@H](C)C[NH2+]1 ZINC000419340392 531925490 /nfs/dbraw/zinc/92/54/90/531925490.db2.gz WTTHFXKPNJXIDV-GHMZBOCLSA-N 1 0 380.901 1.817 20 0 GDADRO C[C@H](CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)n1cc(Br)cn1 ZINC000648824690 531915041 /nfs/dbraw/zinc/91/50/41/531915041.db2.gz BXQPOLRHWUQECI-IUODEOHRSA-N 1 0 385.306 1.966 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419208895 531915416 /nfs/dbraw/zinc/91/54/16/531915416.db2.gz SDFGKFZTXDHNAE-KRWDZBQOSA-N 1 0 398.301 1.580 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419237721 531916530 /nfs/dbraw/zinc/91/65/30/531916530.db2.gz CQGNJDZXHVWTAE-VXGBXAGGSA-N 1 0 386.315 1.812 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000283978105 531916723 /nfs/dbraw/zinc/91/67/23/531916723.db2.gz SSHNRJJXEDAJLD-UHFFFAOYSA-N 1 0 391.921 1.671 20 0 GDADRO O=C(N[C@H]1CSc2ccc(Br)cc21)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419247452 531916993 /nfs/dbraw/zinc/91/69/93/531916993.db2.gz NFCIFGDRRVJMBL-AAEUAGOBSA-N 1 0 398.326 1.970 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419353542 531928748 /nfs/dbraw/zinc/92/87/48/531928748.db2.gz JVEYLOCUXGANLG-GFCCVEGCSA-N 1 0 398.301 1.580 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419366483 531929674 /nfs/dbraw/zinc/92/96/74/531929674.db2.gz YWLKPQGHCHZROQ-CYBMUJFWSA-N 1 0 386.290 1.564 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419365686 531929770 /nfs/dbraw/zinc/92/97/70/531929770.db2.gz XXVWAXAVTLECLU-CMPLNLGQSA-N 1 0 384.274 1.270 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000284115203 531931220 /nfs/dbraw/zinc/93/12/20/531931220.db2.gz LOADPIFWWMHUMB-AWEZNQCLSA-N 1 0 385.917 1.385 20 0 GDADRO O=C(CC[NH2+]C[C@@H]1CCCS1(=O)=O)Nc1cccc(Br)c1 ZINC000570081875 531934038 /nfs/dbraw/zinc/93/40/38/531934038.db2.gz LDMUXCBQJMOEJH-ZDUSSCGKSA-N 1 0 375.288 1.945 20 0 GDADRO CSCc1cccc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000284163432 531935878 /nfs/dbraw/zinc/93/58/78/531935878.db2.gz SLQRRNJOLYUYIS-GOSISDBHSA-N 1 0 381.567 1.719 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000626851463 531936832 /nfs/dbraw/zinc/93/68/32/531936832.db2.gz ROBOQZHCAGULLL-CYBMUJFWSA-N 1 0 382.258 1.797 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)CCC[NH2+]C1 ZINC000419577347 531936953 /nfs/dbraw/zinc/93/69/53/531936953.db2.gz YWQFZQFDGAAIPN-MRXNPFEDSA-N 1 0 388.299 1.422 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626842237 531937926 /nfs/dbraw/zinc/93/79/26/531937926.db2.gz KHZMFHUHTZXEJU-UHFFFAOYSA-N 1 0 390.281 1.696 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCOCC1 ZINC000626858727 531939006 /nfs/dbraw/zinc/93/90/06/531939006.db2.gz BODMXSAETAGGFM-UHFFFAOYSA-N 1 0 392.200 1.290 20 0 GDADRO COC(=O)CNC(=O)[C@@H]1CCCN1Cc1nc2ccc(Br)cc2o1 ZINC000419355529 531928023 /nfs/dbraw/zinc/92/80/23/531928023.db2.gz LZVXXBBRJKZYIC-LBPRGKRZSA-N 1 0 396.241 1.844 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000270833718 531928092 /nfs/dbraw/zinc/92/80/92/531928092.db2.gz DNYNBPALAMYDQC-SWLSCSKDSA-N 1 0 397.317 1.972 20 0 GDADRO O=C(Nc1ccc(C(F)(F)F)c(Br)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000626914729 531941280 /nfs/dbraw/zinc/94/12/80/531941280.db2.gz RFDXUFDSBDFPOA-MRVPVSSYSA-N 1 0 380.164 1.885 20 0 GDADRO O=C(NCCSC(F)(F)F)C(=O)NCCN1CCc2sccc2C1 ZINC000284271164 531943216 /nfs/dbraw/zinc/94/32/16/531943216.db2.gz WVJIQYGPFUCLHZ-UHFFFAOYSA-N 1 0 381.445 1.592 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C[NH2+]1 ZINC000627030219 531943227 /nfs/dbraw/zinc/94/32/27/531943227.db2.gz GRBGWWRJEKVPJX-PWSUYJOCSA-N 1 0 392.884 1.197 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000419623132 531943637 /nfs/dbraw/zinc/94/36/37/531943637.db2.gz UFJCETSQTSXGDU-BXUZGUMPSA-N 1 0 386.290 1.432 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000419624521 531944970 /nfs/dbraw/zinc/94/49/70/531944970.db2.gz IOIDFGHMAKASFD-PKIAMQTDSA-N 1 0 398.301 1.447 20 0 GDADRO CCCCS(=O)(=O)NCC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457081909 531945819 /nfs/dbraw/zinc/94/58/19/531945819.db2.gz IFPNQYZHRRYFJU-UHFFFAOYSA-N 1 0 387.468 1.581 20 0 GDADRO CC1(C)CCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000457084593 531946040 /nfs/dbraw/zinc/94/60/40/531946040.db2.gz YSVIBSZGDRZSPL-UHFFFAOYSA-N 1 0 379.935 1.670 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000652378815 531946615 /nfs/dbraw/zinc/94/66/15/531946615.db2.gz GINKHLSDHSRBPS-UHFFFAOYSA-N 1 0 389.905 1.458 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419630769 531946669 /nfs/dbraw/zinc/94/66/69/531946669.db2.gz NSOIWZQOZQCETD-WDMOLILDSA-N 1 0 386.290 1.495 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C[C@H]1C[NH3+] ZINC000652380374 531946679 /nfs/dbraw/zinc/94/66/79/531946679.db2.gz QFOOWJBBKUDGOL-BXKDBHETSA-N 1 0 384.832 1.926 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)[C@@H]1CC[NH3+] ZINC000652378043 531946782 /nfs/dbraw/zinc/94/67/82/531946782.db2.gz XLUOWKLVPRSACQ-WCQYABFASA-N 1 0 389.905 1.342 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000652379780 531946799 /nfs/dbraw/zinc/94/67/99/531946799.db2.gz LHZVRUJXVRMFNN-MWLCHTKSSA-N 1 0 383.297 1.986 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2cccc(Br)c2)CC1 ZINC000419635034 531946947 /nfs/dbraw/zinc/94/69/47/531946947.db2.gz FUOKAMSMALTBKW-UHFFFAOYSA-N 1 0 382.302 1.913 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)Oc1ccc(Br)cc1 ZINC000419628410 531947094 /nfs/dbraw/zinc/94/70/94/531947094.db2.gz ZILMPZFEDZHPOZ-JMSVASOKSA-N 1 0 398.301 1.447 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C[C@H]2CCCCN12 ZINC000571075197 531949199 /nfs/dbraw/zinc/94/91/99/531949199.db2.gz PMUBSLKONZLYNE-IIAWOOMASA-N 1 0 383.286 1.932 20 0 GDADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000627307792 531949264 /nfs/dbraw/zinc/94/92/64/531949264.db2.gz XGHPLZCAJLURNS-HNNXBMFYSA-N 1 0 382.302 1.564 20 0 GDADRO C[C@H](Cc1ccsc1)NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627301668 531949863 /nfs/dbraw/zinc/94/98/63/531949863.db2.gz LFASJYGNEGIIGF-RTXFEEFZSA-N 1 0 377.432 1.781 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000626871121 531939970 /nfs/dbraw/zinc/93/99/70/531939970.db2.gz KGCIYDBMCPNDBS-UHFFFAOYSA-N 1 0 390.253 1.530 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000626872364 531939996 /nfs/dbraw/zinc/93/99/96/531939996.db2.gz UFLNVIWIAQCLJZ-UHFFFAOYSA-N 1 0 392.681 1.735 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)CCCO1 ZINC000419592254 531940239 /nfs/dbraw/zinc/94/02/39/531940239.db2.gz VROZEDYRZPFIER-XHDPSFHLSA-N 1 0 396.285 1.129 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000626872493 531940347 /nfs/dbraw/zinc/94/03/47/531940347.db2.gz GJRMVWDVFQZRSV-UHFFFAOYSA-N 1 0 381.782 1.992 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000626872319 531940542 /nfs/dbraw/zinc/94/05/42/531940542.db2.gz FSRJMHKBJUIXDE-UHFFFAOYSA-N 1 0 376.226 1.221 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)cc1Br ZINC000419693210 531957183 /nfs/dbraw/zinc/95/71/83/531957183.db2.gz ZWXKBKQKIMJHQB-CQSZACIVSA-N 1 0 399.310 1.790 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000299091460 531957846 /nfs/dbraw/zinc/95/78/46/531957846.db2.gz NJTIBCBLSFHDKQ-KGLIPLIRSA-N 1 0 387.571 1.690 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Cl)s1 ZINC000369325989 531958297 /nfs/dbraw/zinc/95/82/97/531958297.db2.gz BUFYEHGEIFWRIX-AEJSXWLSSA-N 1 0 398.959 1.553 20 0 GDADRO CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000652988972 531958804 /nfs/dbraw/zinc/95/88/04/531958804.db2.gz QOPWGMSNYUAKEX-HNNXBMFYSA-N 1 0 385.555 1.846 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000299146370 531960835 /nfs/dbraw/zinc/96/08/35/531960835.db2.gz WRTRIWPHZNTIMO-AWEZNQCLSA-N 1 0 397.317 1.827 20 0 GDADRO O=C(c1cc[nH]c(=O)c1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627741725 531960948 /nfs/dbraw/zinc/96/09/48/531960948.db2.gz SOURYOPSTKYZGR-UHFFFAOYSA-N 1 0 384.274 1.877 20 0 GDADRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419724139 531962298 /nfs/dbraw/zinc/96/22/98/531962298.db2.gz PKHHUWWXMJWVKN-UHFFFAOYSA-N 1 0 378.292 1.101 20 0 GDADRO CN1CC[NH+](CC2CCN(C(=O)Cn3cc(Br)cn3)CC2)CC1 ZINC000299158464 531962830 /nfs/dbraw/zinc/96/28/30/531962830.db2.gz QAOPKHDPMXFDEV-UHFFFAOYSA-N 1 0 384.322 1.132 20 0 GDADRO CCS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000270983067 531952066 /nfs/dbraw/zinc/95/20/66/531952066.db2.gz DDFINQXIDIFPCO-SJORKVTESA-N 1 0 384.567 1.917 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000284352408 531952070 /nfs/dbraw/zinc/95/20/70/531952070.db2.gz QEMXOAXWWAUTMB-LLVKDONJSA-N 1 0 391.921 1.669 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(Br)cnc1OC ZINC000627455847 531952284 /nfs/dbraw/zinc/95/22/84/531952284.db2.gz OMCJOCZCTNLHIY-ZDUSSCGKSA-N 1 0 399.289 1.069 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2cc(Br)cnc2OC)CC[C@H]1[NH3+] ZINC000627455612 531952985 /nfs/dbraw/zinc/95/29/85/531952985.db2.gz CINHTFOMYKJBFY-GXFFZTMASA-N 1 0 399.289 1.055 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000627459367 531953077 /nfs/dbraw/zinc/95/30/77/531953077.db2.gz ICASJIDIHSTPFV-LSDHHAIUSA-N 1 0 380.286 1.591 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2cc(Br)cnc2OC)CC[C@@H]1[NH3+] ZINC000627455611 531953124 /nfs/dbraw/zinc/95/31/24/531953124.db2.gz CINHTFOMYKJBFY-GWCFXTLKSA-N 1 0 399.289 1.055 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000627464137 531953801 /nfs/dbraw/zinc/95/38/01/531953801.db2.gz RNGKLTGQQXCNCC-HNNXBMFYSA-N 1 0 385.917 1.309 20 0 GDADRO COc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(Br)c1 ZINC000571754404 531954154 /nfs/dbraw/zinc/95/41/54/531954154.db2.gz AVTSDMJCGHEQMR-DZGCQCFKSA-N 1 0 379.258 1.758 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000572357333 531964861 /nfs/dbraw/zinc/96/48/61/531964861.db2.gz PCTZAVMENDEGFV-HNNXBMFYSA-N 1 0 380.432 1.480 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000271097508 531965231 /nfs/dbraw/zinc/96/52/31/531965231.db2.gz WSNCARHWCGFPCY-CABCVRRESA-N 1 0 386.290 1.502 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419754749 531965347 /nfs/dbraw/zinc/96/53/47/531965347.db2.gz CCDIFIJCDDZZGT-CYBMUJFWSA-N 1 0 387.311 1.804 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419757114 531966096 /nfs/dbraw/zinc/96/60/96/531966096.db2.gz HURFOTRIIHACJU-ZDUSSCGKSA-N 1 0 387.311 1.756 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000419763688 531966133 /nfs/dbraw/zinc/96/61/33/531966133.db2.gz VABLVXLUBUCEOR-RYUDHWBXSA-N 1 0 385.295 1.496 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000271105229 531966424 /nfs/dbraw/zinc/96/64/24/531966424.db2.gz OOPQDFPYJASVFW-KBPBESRZSA-N 1 0 392.930 1.793 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419774926 531967481 /nfs/dbraw/zinc/96/74/81/531967481.db2.gz ISASDNOXCJKUEQ-JQWIXIFHSA-N 1 0 384.274 1.503 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cnn(-c3ccccn3)c2C)C[C@H]1[NH+](C)C ZINC000271111151 531968361 /nfs/dbraw/zinc/96/83/61/531968361.db2.gz PVJWKCRRNVSFMA-ZIAGYGMSSA-N 1 0 381.527 1.242 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)s1 ZINC000271108763 531968514 /nfs/dbraw/zinc/96/85/14/531968514.db2.gz PGYNLTSESKUISB-CABZTGNLSA-N 1 0 394.540 1.209 20 0 GDADRO CO[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccccc1Br ZINC000655482428 531968527 /nfs/dbraw/zinc/96/85/27/531968527.db2.gz VHVDDXSWJYVQNH-IMJJTQAJSA-N 1 0 393.285 1.823 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000419781025 531968714 /nfs/dbraw/zinc/96/87/14/531968714.db2.gz PFDKPSMELMWJDP-UHFFFAOYSA-N 1 0 396.289 1.161 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419784773 531968879 /nfs/dbraw/zinc/96/88/79/531968879.db2.gz VGUJPXSGFLTMON-GHMZBOCLSA-N 1 0 384.274 1.455 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000419782339 531969347 /nfs/dbraw/zinc/96/93/47/531969347.db2.gz RGJYIEZFPSJLSK-UHFFFAOYSA-N 1 0 387.311 1.539 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1Br ZINC000419803378 531970171 /nfs/dbraw/zinc/97/01/71/531970171.db2.gz GFUPZMOKMKTIHK-PWSUYJOCSA-N 1 0 399.257 1.735 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000419785956 531970255 /nfs/dbraw/zinc/97/02/55/531970255.db2.gz XQKHBLMMSOPMIP-OAHLLOKOSA-N 1 0 398.276 1.881 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000419789252 531971449 /nfs/dbraw/zinc/97/14/49/531971449.db2.gz CEZYJQYSPHBMGV-HZMBPMFUSA-N 1 0 388.295 1.881 20 0 GDADRO O=S(=O)(CCCCS(=O)(=O)N[C@@H]1CCCC1(F)F)Nc1ccncc1 ZINC000656385365 531977176 /nfs/dbraw/zinc/97/71/76/531977176.db2.gz AMAWLZDNRIDFLO-CYBMUJFWSA-N 1 0 397.469 1.133 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)CC[NH+](C)C)C2)s1 ZINC000299299476 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GDADRO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ncc(Br)cn1 ZINC000458856171 531998001 /nfs/dbraw/zinc/99/80/01/531998001.db2.gz YOHQCHTUWYRVRU-DGCLKSJQSA-N 1 0 386.294 1.446 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2ccncc2Br)cn1 ZINC000631107095 531999855 /nfs/dbraw/zinc/99/98/55/531999855.db2.gz ZIVTXJMXRHFHSI-UHFFFAOYSA-N 1 0 381.278 1.331 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000370673317 531998450 /nfs/dbraw/zinc/99/84/50/531998450.db2.gz LYYPJHPBJVTVLX-RYUDHWBXSA-N 1 0 388.331 1.745 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000420099076 532001194 /nfs/dbraw/zinc/00/11/94/532001194.db2.gz BFKPNDABFMKWHE-NSHDSACASA-N 1 0 376.284 1.429 20 0 GDADRO COCC1(O)CN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000574882949 532001325 /nfs/dbraw/zinc/00/13/25/532001325.db2.gz WAWOZAOVQBACJG-OAHLLOKOSA-N 1 0 383.286 1.806 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420132854 532003906 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CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000631956013 532009115 /nfs/dbraw/zinc/00/91/15/532009115.db2.gz ROVUXJIUKTZXPX-CYBMUJFWSA-N 1 0 390.912 1.576 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420199765 532009605 /nfs/dbraw/zinc/00/96/05/532009605.db2.gz MOONVSGZYYWYAK-GXTWGEPZSA-N 1 0 398.301 1.530 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000459217155 532011201 /nfs/dbraw/zinc/01/12/01/532011201.db2.gz PUJAVWBPUNQWAD-HNNXBMFYSA-N 1 0 382.262 1.191 20 0 GDADRO C[C@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1cc2c(cc1Br)OCCO2 ZINC000459385774 532012740 /nfs/dbraw/zinc/01/27/40/532012740.db2.gz ANPMWLVSCJPLBJ-UWVGGRQHSA-N 1 0 398.257 1.811 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(Br)c1 ZINC000420450862 532014409 /nfs/dbraw/zinc/01/44/09/532014409.db2.gz PYTOPQLURFODDY-PWSUYJOCSA-N 1 0 389.271 1.218 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3cn(C)c(Cl)n3)CC2)CC1 ZINC000371217018 532013875 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ZINC000331599501 532151858 /nfs/dbraw/zinc/15/18/58/532151858.db2.gz HLGVMTMYZVGXGV-GHMZBOCLSA-N 1 0 394.950 1.543 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000286472911 532152479 /nfs/dbraw/zinc/15/24/79/532152479.db2.gz GZYZYZKCSRSHDD-HNNXBMFYSA-N 1 0 398.301 1.244 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000286472395 532152740 /nfs/dbraw/zinc/15/27/40/532152740.db2.gz KVNPNRNERRCFGM-OAHLLOKOSA-N 1 0 388.295 1.489 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@H]1[NH+](C)C ZINC000331879994 532155177 /nfs/dbraw/zinc/15/51/77/532155177.db2.gz GBPSKHCWDQWSLU-HZPDHXFCSA-N 1 0 383.539 1.344 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(F)cc2F)C1 ZINC000425508680 532141327 /nfs/dbraw/zinc/14/13/27/532141327.db2.gz JOHZXUJFQSKBLZ-KGLIPLIRSA-N 1 0 376.425 1.093 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCCN(C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000374921156 532142125 /nfs/dbraw/zinc/14/21/25/532142125.db2.gz 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[NH3+][C@H]1CCN(C(=O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000332177403 532168543 /nfs/dbraw/zinc/16/85/43/532168543.db2.gz XRHSANYSTKCEFX-HNNXBMFYSA-N 1 0 380.286 1.715 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000426450217 532169835 /nfs/dbraw/zinc/16/98/35/532169835.db2.gz LOTPKUYDGVHPNF-HNNXBMFYSA-N 1 0 399.333 1.641 20 0 GDADRO C[N@H+](C[C@H](O)CN1CCOCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000375352732 532160728 /nfs/dbraw/zinc/16/07/28/532160728.db2.gz LTXDUXGROQQSSI-HOCLYGCPSA-N 1 0 385.302 1.898 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NCCC[NH+](C)C)c1Br ZINC000426107401 532162038 /nfs/dbraw/zinc/16/20/38/532162038.db2.gz XSZUCURVGPLYII-UHFFFAOYSA-N 1 0 386.246 1.242 20 0 GDADRO CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1 ZINC000332088755 532162994 /nfs/dbraw/zinc/16/29/94/532162994.db2.gz UEZPQVWJEMTNOL-HZPDHXFCSA-N 1 0 383.539 1.247 20 0 GDADRO COC(=O)c1sccc1NC(=O)CN1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000274003699 532180003 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1.791 20 0 GDADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000332218649 532171963 /nfs/dbraw/zinc/17/19/63/532171963.db2.gz JHFOJXPLTIWHQW-AWEZNQCLSA-N 1 0 389.543 1.008 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000332536606 532193801 /nfs/dbraw/zinc/19/38/01/532193801.db2.gz YQGPUAVCCIMQMP-CYBMUJFWSA-N 1 0 394.313 1.975 20 0 GDADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000332554279 532195423 /nfs/dbraw/zinc/19/54/23/532195423.db2.gz LSUSOEFZIPCJHF-GZMMTYOYSA-N 1 0 388.212 1.876 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NCC2([NH3+])CCCCCC2)ccc1F ZINC000376121964 532196250 /nfs/dbraw/zinc/19/62/50/532196250.db2.gz CPMBGNWVISHNRN-UHFFFAOYSA-N 1 0 378.491 1.559 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000376155642 532196947 /nfs/dbraw/zinc/19/69/47/532196947.db2.gz LSDTXNUYWSQANK-AWEZNQCLSA-N 1 0 389.543 1.138 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)CC[NH2+]1 ZINC000332618243 532201105 /nfs/dbraw/zinc/20/11/05/532201105.db2.gz QPUQYTSUABLIKD-RYUDHWBXSA-N 1 0 380.286 1.543 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000332589515 532198480 /nfs/dbraw/zinc/19/84/80/532198480.db2.gz JDESFRHIICSEHE-GXFFZTMASA-N 1 0 381.274 1.786 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)CC[NH2+]1 ZINC000332604493 532199142 /nfs/dbraw/zinc/19/91/42/532199142.db2.gz OCOZKIVMTRHXCG-JTQLQIEISA-N 1 0 384.249 1.293 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1S(N)(=O)=O)c1ccsc1 ZINC000287168956 532199715 /nfs/dbraw/zinc/19/97/15/532199715.db2.gz OIJBWOXPYIABHF-CQSZACIVSA-N 1 0 382.511 1.498 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)CC2 ZINC000332435972 532186047 /nfs/dbraw/zinc/18/60/47/532186047.db2.gz ATYVZOXJQZHHCD-BLLLJJGKSA-N 1 0 394.313 1.756 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000427599337 532187080 /nfs/dbraw/zinc/18/70/80/532187080.db2.gz OEJOOCCKUUUHKZ-QPUJVOFHSA-N 1 0 384.221 1.895 20 0 GDADRO COc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)sc1S(N)(=O)=O ZINC000332455696 532187537 /nfs/dbraw/zinc/18/75/37/532187537.db2.gz OGSNBPXGWLLTKL-UHFFFAOYSA-N 1 0 387.527 1.495 20 0 GDADRO CCOC(=O)Cc1csc(NC(=O)CN2C[C@@H]([NH+](C)C)[C@@H](SC)C2)n1 ZINC000274141372 532188367 /nfs/dbraw/zinc/18/83/67/532188367.db2.gz GVMZGLSODHUHLE-OLZOCXBDSA-N 1 0 386.543 1.165 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000332504252 532190483 /nfs/dbraw/zinc/19/04/83/532190483.db2.gz SGLGOPQXKSEBSD-XHDPSFHLSA-N 1 0 380.286 1.448 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000332504250 532190732 /nfs/dbraw/zinc/19/07/32/532190732.db2.gz SGLGOPQXKSEBSD-NHYWBVRUSA-N 1 0 380.286 1.448 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274361430 532205585 /nfs/dbraw/zinc/20/55/85/532205585.db2.gz PLDMWOHKDVGKGG-QMMMGPOBSA-N 1 0 377.670 1.892 20 0 GDADRO CNS(=O)(=O)c1cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1F ZINC000287270137 532206121 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[NH3+]CCNC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC000428744350 532216495 /nfs/dbraw/zinc/21/64/95/532216495.db2.gz MNNKDQZEXYXTAA-UHFFFAOYSA-N 1 0 378.152 1.737 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CSC(F)(F)F)c1 ZINC000274305496 532202587 /nfs/dbraw/zinc/20/25/87/532202587.db2.gz UCVUZZQAUHJIBE-UHFFFAOYSA-N 1 0 385.433 1.718 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)C[C@H](C)[NH2+]1 ZINC000332644776 532203104 /nfs/dbraw/zinc/20/31/04/532203104.db2.gz XWXNTTYPMFLFRF-TXEJJXNPSA-N 1 0 380.286 1.543 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)[C@@H]1c1cccs1 ZINC000333242652 532227290 /nfs/dbraw/zinc/22/72/90/532227290.db2.gz WOUBCGNLPMXXRB-VNHYZAJKSA-N 1 0 386.543 1.203 20 0 GDADRO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333279740 532227972 /nfs/dbraw/zinc/22/79/72/532227972.db2.gz JGQVSMKHEVCUMA-XUJVJEKNSA-N 1 0 378.270 1.622 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)C1 ZINC000429405349 532228998 /nfs/dbraw/zinc/22/89/98/532228998.db2.gz HQMRHKNMOOCKQT-ZFWWWQNUSA-N 1 0 376.316 1.767 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000333409864 532233970 /nfs/dbraw/zinc/23/39/70/532233970.db2.gz ZSBQVMRPTLPRTA-FZMZJTMJSA-N 1 0 398.305 1.943 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)NC[C@H]1CSCCS1)Cc1ccc(F)cc1 ZINC000287694250 532234483 /nfs/dbraw/zinc/23/44/83/532234483.db2.gz RGMIKXBFJKTFNA-HNNXBMFYSA-N 1 0 385.530 1.339 20 0 GDADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000429833008 532235445 /nfs/dbraw/zinc/23/54/45/532235445.db2.gz SQUPLBZOFIMADJ-UHFFFAOYSA-N 1 0 378.926 1.585 20 0 GDADRO CCN1CCOC[C@@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000376547468 532219387 /nfs/dbraw/zinc/21/93/87/532219387.db2.gz JUGYMSZYFSGXRT-CQSZACIVSA-N 1 0 384.274 1.016 20 0 GDADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429015294 532220622 /nfs/dbraw/zinc/22/06/22/532220622.db2.gz XLVZQPNWDUBWKV-WBIUFABUSA-N 1 0 380.254 1.624 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000429004236 532220924 /nfs/dbraw/zinc/22/09/24/532220924.db2.gz JDNNJYSPLXHDQC-ZNMIVQPWSA-N 1 0 385.555 1.796 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC=C(Br)C1 ZINC000376599985 532221041 /nfs/dbraw/zinc/22/10/41/532221041.db2.gz NGDKIGUZSRBOHU-HNNXBMFYSA-N 1 0 387.322 1.087 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000333452729 532235645 /nfs/dbraw/zinc/23/56/45/532235645.db2.gz XTUXXRGJXJAYCI-UHFFFAOYSA-N 1 0 380.286 1.865 20 0 GDADRO C[C@@H]([NH3+])CCNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000429023038 532222194 /nfs/dbraw/zinc/22/21/94/532222194.db2.gz DMDFBCFIMSPXNH-GHMZBOCLSA-N 1 0 377.304 1.712 20 0 GDADRO C[C@@H]([NH3+])CCNC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000429018623 532222262 /nfs/dbraw/zinc/22/22/62/532222262.db2.gz JEJXXLKIFQDGMW-VXGBXAGGSA-N 1 0 398.301 1.770 20 0 GDADRO C[C@H]1CN(C(=O)CCN2c3ccc(Br)cc3OCC2=O)CC[C@@H]1[NH3+] ZINC000429185676 532224584 /nfs/dbraw/zinc/22/45/84/532224584.db2.gz SHQMVERIGCVVIY-AAEUAGOBSA-N 1 0 396.285 1.760 20 0 GDADRO C[C@H]1CN(C(=O)c2n[nH]c3ccc(I)cc32)CC[C@@H]1[NH3+] ZINC000429188372 532224868 /nfs/dbraw/zinc/22/48/68/532224868.db2.gz YTCWNIUTXRKMRE-KWQFWETISA-N 1 0 384.221 1.977 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376702232 532225470 /nfs/dbraw/zinc/22/54/70/532225470.db2.gz VCRBOXRWBOUYCQ-NSHDSACASA-N 1 0 384.527 1.098 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000376722419 532225880 /nfs/dbraw/zinc/22/58/80/532225880.db2.gz JJEHFAJTYMGVTR-NSHDSACASA-N 1 0 394.324 1.670 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 ZINC000429222538 532226036 /nfs/dbraw/zinc/22/60/36/532226036.db2.gz RZMLMABWFAYIJX-GDBMZVCRSA-N 1 0 387.571 1.367 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000429960280 532240462 /nfs/dbraw/zinc/24/04/62/532240462.db2.gz HJCKHNUMGHPUSK-OAHLLOKOSA-N 1 0 383.286 1.950 20 0 GDADRO NS(=O)(=O)[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000333597711 532241741 /nfs/dbraw/zinc/24/17/41/532241741.db2.gz YAWLMXJZDNGWQI-HNNXBMFYSA-N 1 0 386.543 1.033 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000333634224 532243164 /nfs/dbraw/zinc/24/31/64/532243164.db2.gz SYFBDSTYFBIYTA-UGFHNGPFSA-N 1 0 395.301 1.852 20 0 GDADRO [NH3+]C1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CC1 ZINC000333674948 532243991 /nfs/dbraw/zinc/24/39/91/532243991.db2.gz NTZNTCTXUFSLBL-NRXISQOPSA-N 1 0 395.301 1.902 20 0 GDADRO [NH3+]C1CCC(NC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000333674949 532244220 /nfs/dbraw/zinc/24/42/20/532244220.db2.gz NTZNTCTXUFSLBL-YMAMQOFZSA-N 1 0 395.301 1.902 20 0 GDADRO CC(C)[C@](C)(C[NH3+])NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000430588312 532251833 /nfs/dbraw/zinc/25/18/33/532251833.db2.gz DBVKTTIDXXGDQS-INIZCTEOSA-N 1 0 385.306 1.467 20 0 GDADRO CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000333849998 532252136 /nfs/dbraw/zinc/25/21/36/532252136.db2.gz PWVQIRXSHZYMLF-XZJROXQQSA-N 1 0 388.295 1.971 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430545387 532252367 /nfs/dbraw/zinc/25/23/67/532252367.db2.gz QBZCACJBWSMSGB-QWHCGFSZSA-N 1 0 397.317 1.563 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2nc(C)n(C)c2Br)C[C@H]1[NH+](C)C ZINC000287940324 532252376 /nfs/dbraw/zinc/25/23/76/532252376.db2.gz VVQZHVSQSFNBCY-NXEZZACHSA-N 1 0 397.364 1.157 20 0 GDADRO O=C(NC1CC[NH2+]CC1)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000333846237 532252417 /nfs/dbraw/zinc/25/24/17/532252417.db2.gz WGYYGIDJSAQVEL-CQSZACIVSA-N 1 0 381.274 1.384 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000333842910 532252624 /nfs/dbraw/zinc/25/26/24/532252624.db2.gz OPAYTMUEJNNKEX-TUKIKUTGSA-N 1 0 395.301 1.772 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000287939009 532252742 /nfs/dbraw/zinc/25/27/42/532252742.db2.gz KIVAJEMOQTUYML-ZIAGYGMSSA-N 1 0 386.543 1.247 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CCO1 ZINC000274824686 532236407 /nfs/dbraw/zinc/23/64/07/532236407.db2.gz TVYBIPDDCRJZSS-WHEQGISXSA-N 1 0 389.315 1.523 20 0 GDADRO CN(CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)CC(=O)N1CC[NH2+]CC1 ZINC000430630168 532253758 /nfs/dbraw/zinc/25/37/58/532253758.db2.gz RHAAOHKYZPGYEO-UHFFFAOYSA-N 1 0 387.311 1.315 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccsc3Br)CC2)C1=O ZINC000333493435 532238113 /nfs/dbraw/zinc/23/81/13/532238113.db2.gz RFODAZCPPBSPSA-LBPRGKRZSA-N 1 0 386.315 1.936 20 0 GDADRO CC(C)(NS(C)(=O)=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000377050836 532239801 /nfs/dbraw/zinc/23/98/01/532239801.db2.gz FWDKGPBBDGMCFO-UHFFFAOYSA-N 1 0 385.452 1.236 20 0 GDADRO C[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430723212 532256548 /nfs/dbraw/zinc/25/65/48/532256548.db2.gz OKAYXNXPSFEVKC-ONGXEEELSA-N 1 0 379.276 1.163 20 0 GDADRO C[NH2+]C1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000430927856 532257770 /nfs/dbraw/zinc/25/77/70/532257770.db2.gz JNJGYTHIVPVBBD-UHFFFAOYSA-N 1 0 384.318 1.970 20 0 GDADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCC[NH2+]CC1 ZINC000430928420 532258393 /nfs/dbraw/zinc/25/83/93/532258393.db2.gz LMAAWPOMSDAUQX-GFCCVEGCSA-N 1 0 388.921 1.213 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000377549099 532263569 /nfs/dbraw/zinc/26/35/69/532263569.db2.gz JSFRKUUCRCOJNX-DOMZBBRYSA-N 1 0 398.301 1.672 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377602890 532265285 /nfs/dbraw/zinc/26/52/85/532265285.db2.gz NOBBHLXBAZMUJB-OCCSQVGLSA-N 1 0 382.302 1.993 20 0 GDADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccnc1Br ZINC000288238159 532274887 /nfs/dbraw/zinc/27/48/87/532274887.db2.gz SBKJTNIZKYGHOD-AAEUAGOBSA-N 1 0 381.274 1.868 20 0 GDADRO CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000432191119 532279675 /nfs/dbraw/zinc/27/96/75/532279675.db2.gz HUVRSJRAEMDWLA-CQSZACIVSA-N 1 0 391.559 1.239 20 0 GDADRO C[C@H]1CN(C(=O)NCCn2cc(Br)cn2)CC[N@@H+]1CC(C)(C)O ZINC000288322824 532281599 /nfs/dbraw/zinc/28/15/99/532281599.db2.gz YEMDUBMBGSGRPL-LBPRGKRZSA-N 1 0 388.310 1.132 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccccc2SCC(N)=O)C[C@H]1[NH+]1CCCC1 ZINC000275182152 532273818 /nfs/dbraw/zinc/27/38/18/532273818.db2.gz ZCWZAHBZSHCNIS-ZBFHGGJFSA-N 1 0 379.551 1.916 20 0 GDADRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc(I)cc2)[C@H]1C ZINC000379491091 532294868 /nfs/dbraw/zinc/29/48/68/532294868.db2.gz GXGVVQIFWGCCMB-ZJUUUORDSA-N 1 0 380.251 1.662 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)oc1C ZINC000275492127 532297504 /nfs/dbraw/zinc/29/75/04/532297504.db2.gz PIHFHSUEVHHRJE-KBPBESRZSA-N 1 0 388.511 1.575 20 0 GDADRO Cc1nc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)sc1SCC(N)=O ZINC000275550441 532299453 /nfs/dbraw/zinc/29/94/53/532299453.db2.gz HKLBLRWNGKWTRH-JTQLQIEISA-N 1 0 380.499 1.402 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(F)cc1I ZINC000394076963 532301784 /nfs/dbraw/zinc/30/17/84/532301784.db2.gz BKFWBMOYYRAKKH-SNVBAGLBSA-N 1 0 377.201 1.064 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000400299762 532304700 /nfs/dbraw/zinc/30/47/00/532304700.db2.gz RAUQOCGAFNMYJE-RYUDHWBXSA-N 1 0 397.324 1.747 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000405260682 532306730 /nfs/dbraw/zinc/30/67/30/532306730.db2.gz PMJXCNXKYMDGIW-BXKDBHETSA-N 1 0 381.267 1.573 20 0 GDADRO C[C@H](NC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Br)cc1 ZINC000405332455 532306887 /nfs/dbraw/zinc/30/68/87/532306887.db2.gz DVZSSSCLWZJSMZ-VBNZEHGJSA-N 1 0 382.302 1.377 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCCc1ccc(I)s1 ZINC000288799656 532308195 /nfs/dbraw/zinc/30/81/95/532308195.db2.gz RNMRJDQTKGEXSI-SECBINFHSA-N 1 0 396.250 1.292 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)CC(=O)Nc1ccc(Br)cn1 ZINC000289461582 532324924 /nfs/dbraw/zinc/32/49/24/532324924.db2.gz QDQXRRNEEUPWNX-UHFFFAOYSA-N 1 0 386.338 1.598 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000288847200 532309543 /nfs/dbraw/zinc/30/95/43/532309543.db2.gz WMVHFJFXYRYMRQ-IUODEOHRSA-N 1 0 398.301 1.672 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(O)c(Br)c2)[C@H](C)C1 ZINC000289095385 532315550 /nfs/dbraw/zinc/31/55/50/532315550.db2.gz FKVTUJFKMBKOGN-NEPJUHHUSA-N 1 0 386.290 1.751 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000275955657 532315794 /nfs/dbraw/zinc/31/57/94/532315794.db2.gz BXPWQJQXOIZWQF-JTQLQIEISA-N 1 0 381.274 1.858 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000289248914 532319605 /nfs/dbraw/zinc/31/96/05/532319605.db2.gz XEDMHAQIAHVWNL-WCQYABFASA-N 1 0 381.274 1.868 20 0 GDADRO O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289251480 532319733 /nfs/dbraw/zinc/31/97/33/532319733.db2.gz NQFCTFVUBKOIKO-KRWDZBQOSA-N 1 0 383.539 1.748 20 0 GDADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289290036 532320699 /nfs/dbraw/zinc/32/06/99/532320699.db2.gz RAOBCDAFWJYJHI-MRXNPFEDSA-N 1 0 392.297 1.731 20 0 GDADRO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(S(=O)(=O)NC)s1 ZINC000276177051 532321578 /nfs/dbraw/zinc/32/15/78/532321578.db2.gz WXOPADKDWZNFPI-UHFFFAOYSA-N 1 0 376.548 1.530 20 0 GDADRO COCCOCCOCC[N@H+](C)C[C@@H](O)COCc1ccccc1Cl ZINC000276296159 532326337 /nfs/dbraw/zinc/32/63/37/532326337.db2.gz UXINAQPQUAFUIJ-QGZVFWFLSA-N 1 0 375.893 1.829 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000276201474 532322726 /nfs/dbraw/zinc/32/27/26/532322726.db2.gz NQGZFIGZDAHVMV-ZDUSSCGKSA-N 1 0 389.543 1.147 20 0 GDADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCS(=O)(=O)N(C)C ZINC000290070293 532336129 /nfs/dbraw/zinc/33/61/29/532336129.db2.gz GCGUWDLWYQXQGA-ZDUSSCGKSA-N 1 0 375.922 1.558 20 0 GDADRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000290070477 532336305 /nfs/dbraw/zinc/33/63/05/532336305.db2.gz VIIORUQSYPLHBL-LSDHHAIUSA-N 1 0 382.302 1.929 20 0 GDADRO COCCn1cc([C@H]2[C@H](C[NH2+]Cc3csnn3)CC(=O)N2C(C)(C)C)cn1 ZINC000328602776 206231306 /nfs/dbraw/zinc/23/13/06/206231306.db2.gz CXDXBBHZFXQHGE-SUMWQHHRSA-N 1 0 392.529 1.859 20 0 GDADRO COC(=O)c1cn([C@@H]2CC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)nn1 ZINC000359974904 206275124 /nfs/dbraw/zinc/27/51/24/206275124.db2.gz PXINJYVNJGXGAX-HIFRSBDPSA-N 1 0 395.257 1.808 20 0 GDADRO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000359999425 206278733 /nfs/dbraw/zinc/27/87/33/206278733.db2.gz ZBHXKACQBDHFCZ-HNNXBMFYSA-N 1 0 382.516 1.989 20 0 GDADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000038052029 207262695 /nfs/dbraw/zinc/26/26/95/207262695.db2.gz WHYJWFJBJCKVJM-JTQLQIEISA-N 1 0 376.272 1.745 20 0 GDADRO O=C([C@@H]1C[C@H](N2CCN(c3ccccc3Cl)CC2)C[NH2+]1)N1CCSC1 ZINC000028889035 207350952 /nfs/dbraw/zinc/35/09/52/207350952.db2.gz PXABPMMKOLLIJA-HOCLYGCPSA-N 1 0 380.945 1.725 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1coc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000097160701 208340789 /nfs/dbraw/zinc/34/07/89/208340789.db2.gz SBFSITWNBRVLTI-LBPRGKRZSA-N 1 0 393.303 1.623 20 0 GDADRO Cn1ccnc(N2CCC[C@@H]([NH2+]Cc3ccccc3N3CCOCC3)C2)c1=O ZINC000275399715 570692392 /nfs/dbraw/zinc/69/23/92/570692392.db2.gz CJVMGDRRLAOCNL-GOSISDBHSA-N 1 0 383.496 1.376 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CN(C)[C@@H](C)C(=O)Nc2ncccn2)[C@@H]1c1cnn(C)c1 ZINC000509132170 571046125 /nfs/dbraw/zinc/04/61/25/571046125.db2.gz MWCXIQQGPJOGIY-XYJFISCASA-N 1 0 385.516 1.942 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000737523055 598853107 /nfs/dbraw/zinc/85/31/07/598853107.db2.gz GNASOTSTDGJJDM-INIZCTEOSA-N 1 0 390.455 1.614 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000737549213 598878499 /nfs/dbraw/zinc/87/84/99/598878499.db2.gz TYKXQHVKSZAGMP-UHFFFAOYSA-N 1 0 399.455 1.399 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737290918 598908434 /nfs/dbraw/zinc/90/84/34/598908434.db2.gz YSUYOEUTESCDNN-AWEZNQCLSA-N 1 0 383.456 1.058 20 0 GDADRO O=C(CC[NH2+]C1(CO)Cc2ccccc2C1)Nc1sccc1-c1nn[nH]n1 ZINC000737846645 598917359 /nfs/dbraw/zinc/91/73/59/598917359.db2.gz JIVQDJFPCUVSSF-UHFFFAOYSA-N 1 0 384.465 1.376 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ncc(-c2nn[nH]n2)cc1Cl ZINC000736744947 598939808 /nfs/dbraw/zinc/93/98/08/598939808.db2.gz DKGDOWVZAFXMBW-CYBMUJFWSA-N 1 0 378.868 1.270 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000737296753 598958319 /nfs/dbraw/zinc/95/83/19/598958319.db2.gz OEVIOAXQYWEXIG-HNNXBMFYSA-N 1 0 376.486 1.424 20 0 GDADRO CCOCC[N@@H+]1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)C[C@@H]1CC ZINC000736623444 598966205 /nfs/dbraw/zinc/96/62/05/598966205.db2.gz HMWIJEMSQIOVCG-AWEZNQCLSA-N 1 0 382.472 1.747 20 0 GDADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000738436896 598971776 /nfs/dbraw/zinc/97/17/76/598971776.db2.gz LFKUFYVFXVYUPD-ZDUSSCGKSA-N 1 0 380.456 1.723 20 0 GDADRO C[NH+](C)Cc1cc(CNC(=O)COc2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000736770668 599032867 /nfs/dbraw/zinc/03/28/67/599032867.db2.gz DHCVNLOZCBLVRD-UHFFFAOYSA-N 1 0 384.415 1.763 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000736232727 599080175 /nfs/dbraw/zinc/08/01/75/599080175.db2.gz ZZYNVMSEVGUPLD-OLMNPRSZSA-N 1 0 383.500 1.777 20 0 GDADRO CC1CCC([NH+]2CCN(CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736243610 599082199 /nfs/dbraw/zinc/08/21/99/599082199.db2.gz WTXNYNRKPYXLQT-UHFFFAOYSA-N 1 0 397.527 1.679 20 0 GDADRO NC(=O)[C@H]([NH2+]CCCn1cnc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735425 599087344 /nfs/dbraw/zinc/08/73/44/599087344.db2.gz DBXDGTDXKXZPLH-QGZVFWFLSA-N 1 0 376.424 1.423 20 0 GDADRO NC(=O)[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729652 599089558 /nfs/dbraw/zinc/08/95/58/599089558.db2.gz ADQTXJQKGUTHOV-IBGZPJMESA-N 1 0 391.479 1.431 20 0 GDADRO COc1cccc(N2CC[C@@H]([NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737137177 599097225 /nfs/dbraw/zinc/09/72/25/599097225.db2.gz BUIOFIXHBGTIGK-QAPCUYQASA-N 1 0 393.451 1.270 20 0 GDADRO CC(C)(C)c1ccc([C@H](O)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735649986 599178331 /nfs/dbraw/zinc/17/83/31/599178331.db2.gz MVMADUIEYBYBHH-SUMWQHHRSA-N 1 0 396.499 1.726 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)COc2ccccc2-c2nn[nH]n2)C1 ZINC000821614779 599193501 /nfs/dbraw/zinc/19/35/01/599193501.db2.gz UVSWPIWULKTHFB-KRWDZBQOSA-N 1 0 392.463 1.978 20 0 GDADRO Cc1ccncc1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737441863 599239469 /nfs/dbraw/zinc/23/94/69/599239469.db2.gz AYHYZQLIIDOQGK-UHFFFAOYSA-N 1 0 377.452 1.918 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822053956 607272396 /nfs/dbraw/zinc/27/23/96/607272396.db2.gz TVCUYJXLOXZZEO-QWHCGFSZSA-N 1 0 385.472 1.350 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC000821109324 607276563 /nfs/dbraw/zinc/27/65/63/607276563.db2.gz HNXXCZBOHADQIL-UHFFFAOYSA-N 1 0 385.472 1.352 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cccc1-c1nn[nH]n1 ZINC000822045037 607279860 /nfs/dbraw/zinc/27/98/60/607279860.db2.gz OEQBECDZYYHCMZ-CZUORRHYSA-N 1 0 383.456 1.056 20 0 GDADRO O=C(CCCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822955473 607300867 /nfs/dbraw/zinc/30/08/67/607300867.db2.gz WJISDQHKUCARNR-OAHLLOKOSA-N 1 0 397.483 1.672 20 0 GDADRO C[NH+](C)CCCOc1ccc(NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000821584605 607317021 /nfs/dbraw/zinc/31/70/21/607317021.db2.gz KXOCSYMGKLVRCV-AWEZNQCLSA-N 1 0 397.487 1.548 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820128711 607325360 /nfs/dbraw/zinc/32/53/60/607325360.db2.gz SUMMKBMSUCFEBL-UHFFFAOYSA-N 1 0 398.515 1.889 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)[NH+]1CCC(C)CC1 ZINC000820716634 607335570 /nfs/dbraw/zinc/33/55/70/607335570.db2.gz KBBBGHRKQVHYRW-LBPRGKRZSA-N 1 0 389.435 1.181 20 0 GDADRO Cc1nc(SCC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737481947 598238805 /nfs/dbraw/zinc/23/88/05/598238805.db2.gz CUDGWVDYSUPARX-CQSZACIVSA-N 1 0 389.529 1.689 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)C=Cc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737158645 598240394 /nfs/dbraw/zinc/24/03/94/598240394.db2.gz FGHSZENNDVDGFK-VOTSOKGWSA-N 1 0 391.435 1.632 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736529972 598263662 /nfs/dbraw/zinc/26/36/62/598263662.db2.gz CSCJQWLVTHGAEV-HNNXBMFYSA-N 1 0 389.504 1.928 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736534143 598294080 /nfs/dbraw/zinc/29/40/80/598294080.db2.gz MUIMQOPNGWUYHY-OAHLLOKOSA-N 1 0 386.504 1.429 20 0 GDADRO CC[N@H+](CCNC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000736537464 598305461 /nfs/dbraw/zinc/30/54/61/598305461.db2.gz SCPNHXLJWLZEON-UHFFFAOYSA-N 1 0 398.515 1.178 20 0 GDADRO CSCCNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737181885 598305670 /nfs/dbraw/zinc/30/56/70/598305670.db2.gz MSEHCOSOLQPARK-UHFFFAOYSA-N 1 0 375.502 1.447 20 0 GDADRO CS(=O)(=O)Nc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000737168816 598315111 /nfs/dbraw/zinc/31/51/11/598315111.db2.gz LASPFZINIRAFIZ-UHFFFAOYSA-N 1 0 376.417 1.667 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000735560766 598350498 /nfs/dbraw/zinc/35/04/98/598350498.db2.gz GVFNUKASYXWKEL-KGLIPLIRSA-N 1 0 381.444 1.197 20 0 GDADRO C[C@H](O)C[N@H+](C)C1CCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736141674 598365851 /nfs/dbraw/zinc/36/58/51/598365851.db2.gz AOIQFERRPCXZBG-LBPRGKRZSA-N 1 0 393.517 1.034 20 0 GDADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)C1CCN(CCn2cccn2)CC1 ZINC000736804797 598367008 /nfs/dbraw/zinc/36/70/08/598367008.db2.gz WKCCPEWZBKAKJR-UHFFFAOYSA-N 1 0 396.499 1.538 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCc1cscn1 ZINC000736767439 598367819 /nfs/dbraw/zinc/36/78/19/598367819.db2.gz QBZVRFIFGXDBOY-UHFFFAOYSA-N 1 0 385.497 1.846 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736000894 598392073 /nfs/dbraw/zinc/39/20/73/598392073.db2.gz KKDQTZHGBBYQTR-HNNXBMFYSA-N 1 0 398.515 1.177 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000736757776 598401500 /nfs/dbraw/zinc/40/15/00/598401500.db2.gz CVBDMFGQBKNUAF-OAHLLOKOSA-N 1 0 399.480 1.077 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736768313 598428891 /nfs/dbraw/zinc/42/88/91/598428891.db2.gz CVKQHUBKERFINE-UHFFFAOYSA-N 1 0 387.469 1.014 20 0 GDADRO CC(=O)Nc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000735484929 598466065 /nfs/dbraw/zinc/46/60/65/598466065.db2.gz QCNOVRWVHLBBCQ-UHFFFAOYSA-N 1 0 392.467 1.979 20 0 GDADRO O=C1C[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738302177 598472474 /nfs/dbraw/zinc/47/24/74/598472474.db2.gz VFZYSMRRORRQNL-IRXDYDNUSA-N 1 0 395.467 1.059 20 0 GDADRO O=C1C[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738302171 598472700 /nfs/dbraw/zinc/47/27/00/598472700.db2.gz VFZYSMRRORRQNL-DLBZAZTESA-N 1 0 395.467 1.059 20 0 GDADRO CC[N@@H+]1CCC[C@H](NC(=O)NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC000736569021 598479853 /nfs/dbraw/zinc/47/98/53/598479853.db2.gz FWLPLJPNLDTHEB-INIZCTEOSA-N 1 0 399.503 1.014 20 0 GDADRO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738074691 598484418 /nfs/dbraw/zinc/48/44/18/598484418.db2.gz LTLCCGVZTYSDEA-MRXNPFEDSA-N 1 0 399.503 1.334 20 0 GDADRO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738074689 598484449 /nfs/dbraw/zinc/48/44/49/598484449.db2.gz LTLCCGVZTYSDEA-INIZCTEOSA-N 1 0 399.503 1.334 20 0 GDADRO CCN(CC)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736532809 598517697 /nfs/dbraw/zinc/51/76/97/598517697.db2.gz DBVNINMMTKWQJB-MAUKXSAKSA-N 1 0 395.515 1.778 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@@H](c1ccccc1)N1CCCC1)C2 ZINC000738426639 598517807 /nfs/dbraw/zinc/51/78/07/598517807.db2.gz SUJAQFVBHOXYCD-YJBOKZPZSA-N 1 0 393.499 1.532 20 0 GDADRO CC(C)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCCCCC1 ZINC000735710420 598521380 /nfs/dbraw/zinc/52/13/80/598521380.db2.gz TWTKYCUDWXIIIM-DOTOQJQBSA-N 1 0 387.536 1.595 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CC1(c3ccccc3)CCOCC1)C2 ZINC000738429183 598522389 /nfs/dbraw/zinc/52/23/89/598522389.db2.gz VNXOAYVPXKKLBV-OAHLLOKOSA-N 1 0 394.483 1.443 20 0 GDADRO Brc1csc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735375012 598522405 /nfs/dbraw/zinc/52/24/05/598522405.db2.gz HUEVWINFKOSBRP-QMMMGPOBSA-N 1 0 395.290 1.719 20 0 GDADRO CCCNC(=O)c1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000736487067 598523348 /nfs/dbraw/zinc/52/33/48/598523348.db2.gz BDGXACOWIFRLGN-AWEZNQCLSA-N 1 0 395.471 1.035 20 0 GDADRO CN(CCCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736792796 598524142 /nfs/dbraw/zinc/52/41/42/598524142.db2.gz PFMFUHMJYSXWPI-OAHLLOKOSA-N 1 0 381.488 1.611 20 0 GDADRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736036618 598525463 /nfs/dbraw/zinc/52/54/63/598525463.db2.gz FMPGKMLNORMKGT-QWRGUYRKSA-N 1 0 390.398 1.440 20 0 GDADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000738355921 598526753 /nfs/dbraw/zinc/52/67/53/598526753.db2.gz VWXPQKFZFWQPPV-OAHLLOKOSA-N 1 0 376.486 1.506 20 0 GDADRO CCc1nc2ccccc2n1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736707670 598528214 /nfs/dbraw/zinc/52/82/14/598528214.db2.gz YONNRPSKLFJILL-CYBMUJFWSA-N 1 0 392.471 1.307 20 0 GDADRO c1cn(-c2ccccc2)nc1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738427902 598528700 /nfs/dbraw/zinc/52/87/00/598528700.db2.gz YYCUCTNNMLZWTP-CQSZACIVSA-N 1 0 390.455 1.123 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1cc(-c3ccccc3)on1)C2 ZINC000738421317 598529791 /nfs/dbraw/zinc/52/97/91/598529791.db2.gz REEFSHPXPIHEEZ-GFCCVEGCSA-N 1 0 377.412 1.550 20 0 GDADRO c1ncn(CC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)n1 ZINC000738409358 598562684 /nfs/dbraw/zinc/56/26/84/598562684.db2.gz AEAMQNQDVHIJSE-UHFFFAOYSA-N 1 0 376.424 1.827 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736568411 598596477 /nfs/dbraw/zinc/59/64/77/598596477.db2.gz BLJITDOFRKKJSL-CRAIPNDOSA-N 1 0 383.500 1.684 20 0 GDADRO O=C1CN(C[N@@H+]2CCC[C@@H]2C2CCC2)C(=O)N1Cc1ccccc1-c1nn[nH]n1 ZINC000738304106 598601629 /nfs/dbraw/zinc/60/16/29/598601629.db2.gz XHYKFDJHIPEVNT-QGZVFWFLSA-N 1 0 395.467 1.853 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000737893636 598626474 /nfs/dbraw/zinc/62/64/74/598626474.db2.gz BYHNDQVGSBVBTP-UHFFFAOYSA-N 1 0 399.499 1.430 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CCCCC1 ZINC000736761803 598635771 /nfs/dbraw/zinc/63/57/71/598635771.db2.gz UOJLPMYUJNIZCU-UHFFFAOYSA-N 1 0 389.435 1.325 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736573576 598694588 /nfs/dbraw/zinc/69/45/88/598694588.db2.gz ZWNHTHPEZKAMHU-MSOLQXFVSA-N 1 0 383.500 1.826 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N(C)Cc1ccccc1 ZINC000736025515 598712049 /nfs/dbraw/zinc/71/20/49/598712049.db2.gz LMELCRGCYFSHLW-GOEBONIOSA-N 1 0 381.488 1.215 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000735559922 598727142 /nfs/dbraw/zinc/72/71/42/598727142.db2.gz AULBMZOKTZFOJH-GJZGRUSLSA-N 1 0 397.483 1.528 20 0 GDADRO Clc1cc(-c2nn[nH]n2)cnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000737564629 598747920 /nfs/dbraw/zinc/74/79/20/598747920.db2.gz RPPKQFAUONUVIJ-UHFFFAOYSA-N 1 0 377.880 1.854 20 0 GDADRO Cc1oc(NC(=O)[C@@H](C)N2CCC(C[NH+](C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000737549722 598749684 /nfs/dbraw/zinc/74/96/84/598749684.db2.gz YASPRGILYICUSK-GFCCVEGCSA-N 1 0 375.477 1.677 20 0 GDADRO O=C(/C=C\C1CCOCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737799745 598755271 /nfs/dbraw/zinc/75/52/71/598755271.db2.gz WGAXYTJUPSJVTA-DAXSKMNVSA-N 1 0 396.495 1.884 20 0 GDADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NCC[NH+]1CCSCC1 ZINC000737832765 598768504 /nfs/dbraw/zinc/76/85/04/598768504.db2.gz LQVQVVPOQXLLJJ-UHFFFAOYSA-N 1 0 390.513 1.581 20 0 GDADRO C[N@H+](CCNC(=O)NCCSCc1ccccc1-c1nn[nH]n1)C1CC1 ZINC000736801087 598782628 /nfs/dbraw/zinc/78/26/28/598782628.db2.gz QXADAWLCDDTMRH-UHFFFAOYSA-N 1 0 375.502 1.493 20 0 GDADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C=Cc1cccc(-c2nn[nH]n2)c1 ZINC000736851468 598811896 /nfs/dbraw/zinc/81/18/96/598811896.db2.gz IPTBXUZCSGJVLX-BQYQJAHWSA-N 1 0 383.500 1.364 20 0 GDADRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736407384 599300719 /nfs/dbraw/zinc/30/07/19/599300719.db2.gz GMMOSADGXDPVQI-JGGQBBKZSA-N 1 0 385.472 1.430 20 0 GDADRO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820709784 599301373 /nfs/dbraw/zinc/30/13/73/599301373.db2.gz LWUMZAZNUMQEMZ-KRWDZBQOSA-N 1 0 397.527 1.775 20 0 GDADRO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000820709547 599302850 /nfs/dbraw/zinc/30/28/50/599302850.db2.gz KANVTTHIOAYYOF-MRXNPFEDSA-N 1 0 383.500 1.780 20 0 GDADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000736286123 599316683 /nfs/dbraw/zinc/31/66/83/599316683.db2.gz LYKKOQUSVMCXCA-GPMSIDNRSA-N 1 0 385.516 1.264 20 0 GDADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000820126594 599334895 /nfs/dbraw/zinc/33/48/95/599334895.db2.gz AQOABAOVPVSUKS-UHFFFAOYSA-N 1 0 382.465 1.499 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000821625420 599342743 /nfs/dbraw/zinc/34/27/43/599342743.db2.gz NJMVCASBBLOSRR-CHWSQXEVSA-N 1 0 380.449 1.253 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614413 599370781 /nfs/dbraw/zinc/37/07/81/599370781.db2.gz FHDYZIQHHNZJRQ-QGZVFWFLSA-N 1 0 398.492 1.762 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000821181665 599375207 /nfs/dbraw/zinc/37/52/07/599375207.db2.gz OAULSCREXUWRDZ-LLVKDONJSA-N 1 0 384.893 1.625 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000820410723 599389450 /nfs/dbraw/zinc/38/94/50/599389450.db2.gz FSPPBBVPQLXZCV-RYUDHWBXSA-N 1 0 379.424 1.643 20 0 GDADRO COc1ccc(C[NH2+]C[C@H](O)CN2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000821810113 599404582 /nfs/dbraw/zinc/40/45/82/599404582.db2.gz WYBKHLUPKPSVQZ-SFHVURJKSA-N 1 0 394.479 1.384 20 0 GDADRO O=C(COc1ccc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1)NC1CC1 ZINC000823040600 599410406 /nfs/dbraw/zinc/41/04/06/599410406.db2.gz OLTIWKUQVVSUNK-UHFFFAOYSA-N 1 0 382.424 1.449 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1OCCCN1CC[NH+](CC2CCOCC2)CC1 ZINC000738412951 599448670 /nfs/dbraw/zinc/44/86/70/599448670.db2.gz ODQXWRBMCIEMFM-UHFFFAOYSA-N 1 0 386.500 1.680 20 0 GDADRO C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1ccccc1Cl ZINC000820275706 599453733 /nfs/dbraw/zinc/45/37/33/599453733.db2.gz QYCMKTDWTXKAKO-NEPJUHHUSA-N 1 0 388.863 1.815 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821579964 599454155 /nfs/dbraw/zinc/45/41/55/599454155.db2.gz ULJWSYFEMLOHJU-SFHVURJKSA-N 1 0 395.467 1.848 20 0 GDADRO CCN(C(=O)CCN1CC[NH+](CC)CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821268082 599456157 /nfs/dbraw/zinc/45/61/57/599456157.db2.gz SEVGYTQFUHOTEM-MRXNPFEDSA-N 1 0 385.516 1.804 20 0 GDADRO O=C(N[C@H]1CCSC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823154888 599466805 /nfs/dbraw/zinc/46/68/05/599466805.db2.gz MBTNGOHXQXVIHO-INIZCTEOSA-N 1 0 387.513 1.590 20 0 GDADRO CN(C)[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000736757772 599482661 /nfs/dbraw/zinc/48/26/61/599482661.db2.gz CSYAKDBGAQLUEF-QGZVFWFLSA-N 1 0 376.468 1.777 20 0 GDADRO COc1cccc([C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)N(C)C)c1 ZINC000737125259 599482789 /nfs/dbraw/zinc/48/27/89/599482789.db2.gz HRLQLBQSFVTUQY-SFHVURJKSA-N 1 0 392.467 1.916 20 0 GDADRO COCCOc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000737014999 599485226 /nfs/dbraw/zinc/48/52/26/599485226.db2.gz LSYZLQQHCNJZTG-UHFFFAOYSA-N 1 0 379.424 1.829 20 0 GDADRO O=C1OCCN1c1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000738317697 599487307 /nfs/dbraw/zinc/48/73/07/599487307.db2.gz FVUKEJHIYPJZKZ-UHFFFAOYSA-N 1 0 390.407 1.761 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736480349 599511045 /nfs/dbraw/zinc/51/10/45/599511045.db2.gz NSSRDFRHHKZDRU-UHFFFAOYSA-N 1 0 389.435 1.183 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000822204438 599528930 /nfs/dbraw/zinc/52/89/30/599528930.db2.gz OTKUIQYUBLJIPN-QWHCGFSZSA-N 1 0 385.447 1.805 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)c2c1 ZINC000822195036 599531934 /nfs/dbraw/zinc/53/19/34/599531934.db2.gz DUMWTMOSFSOFPP-HUUCEWRRSA-N 1 0 381.484 1.923 20 0 GDADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC[C@H]3C[NH+]3CCCC3)o2)c1 ZINC000823737803 599573454 /nfs/dbraw/zinc/57/34/54/599573454.db2.gz KRZSTSWYONQENL-INIZCTEOSA-N 1 0 380.456 1.977 20 0 GDADRO CC[C@@H]1CN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC[N@@H+]1C[C@@H](C)O ZINC000820995397 599573834 /nfs/dbraw/zinc/57/38/34/599573834.db2.gz QUIPPITVAVXWKT-CZUORRHYSA-N 1 0 398.471 1.194 20 0 GDADRO CC[C@H]1CN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC[N@@H+]1C[C@@H](C)O ZINC000820995396 599574198 /nfs/dbraw/zinc/57/41/98/599574198.db2.gz QUIPPITVAVXWKT-CJNGLKHVSA-N 1 0 398.471 1.194 20 0 GDADRO C[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H](CCO)c1ccccc1 ZINC000821595453 599585418 /nfs/dbraw/zinc/58/54/18/599585418.db2.gz XQJSHXOKMWREIV-HKUYNNGSSA-N 1 0 383.452 1.662 20 0 GDADRO COCCOC[C@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821691799 599586744 /nfs/dbraw/zinc/58/67/44/599586744.db2.gz FNJUSEDKWSGRGD-LBPRGKRZSA-N 1 0 380.474 1.242 20 0 GDADRO COC(=O)Nc1ccc(CC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736938125 599598940 /nfs/dbraw/zinc/59/89/40/599598940.db2.gz AJEADKMRHXCWLT-INIZCTEOSA-N 1 0 395.423 1.404 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)c1-c1nn[nH]n1 ZINC000822319454 599607260 /nfs/dbraw/zinc/60/72/60/599607260.db2.gz SEVHZVXLFNXAJQ-UHFFFAOYSA-N 1 0 385.472 1.494 20 0 GDADRO CCc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)[nH]n1 ZINC000736676616 599613189 /nfs/dbraw/zinc/61/31/89/599613189.db2.gz QIXITUCWRAWCHH-UHFFFAOYSA-N 1 0 397.487 1.426 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820709559 599615332 /nfs/dbraw/zinc/61/53/32/599615332.db2.gz KFXPEAMPHFHWHU-SNVBAGLBSA-N 1 0 377.836 1.059 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821189789 599681390 /nfs/dbraw/zinc/68/13/90/599681390.db2.gz TUZWOSYEOYRHOQ-OAHLLOKOSA-N 1 0 389.504 1.928 20 0 GDADRO CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000737364809 599787894 /nfs/dbraw/zinc/78/78/94/599787894.db2.gz 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C[C@@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000820262046 606506639 /nfs/dbraw/zinc/50/66/39/606506639.db2.gz QZEVTBUAYHNCHK-HNNXBMFYSA-N 1 0 376.464 1.972 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccc(-c4nn[nH]n4)s3)ccn2)CC1 ZINC000821629065 606526633 /nfs/dbraw/zinc/52/66/33/606526633.db2.gz XSCVQUJQLJFALS-UHFFFAOYSA-N 1 0 384.469 1.005 20 0 GDADRO C[NH+](C)CCOc1ccc(CCNC(=O)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821587080 606551844 /nfs/dbraw/zinc/55/18/44/606551844.db2.gz FWFXBDGYSCSFCN-UHFFFAOYSA-N 1 0 394.479 1.709 20 0 GDADRO CN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000821621704 606558649 /nfs/dbraw/zinc/55/86/49/606558649.db2.gz CODNXXKCROHZTE-GOSISDBHSA-N 1 0 383.500 1.036 20 0 GDADRO CC[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1ccccc1C ZINC000820908133 606619855 /nfs/dbraw/zinc/61/98/55/606619855.db2.gz JNGCDFNBULBOCG-GJZGRUSLSA-N 1 0 382.472 1.861 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821351256 606621901 /nfs/dbraw/zinc/62/19/01/606621901.db2.gz OAHBXOYIXLSCMW-CZUORRHYSA-N 1 0 376.461 1.107 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[C@@H]1C ZINC000821253158 606637094 /nfs/dbraw/zinc/63/70/94/606637094.db2.gz DNMJOCYSKARYDE-WCQYABFASA-N 1 0 389.435 1.276 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)C[C@H]1C ZINC000821253499 606637229 /nfs/dbraw/zinc/63/72/29/606637229.db2.gz FULIEAZYWITPDT-HIFRSBDPSA-N 1 0 385.472 1.445 20 0 GDADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCSCc2ccccc2-c2nn[nH]n2)C1 ZINC000821241853 606664479 /nfs/dbraw/zinc/66/44/79/606664479.db2.gz PHCKVVFHYSSHRZ-CZUORRHYSA-N 1 0 389.529 1.739 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)Cc2ccccc2C1 ZINC000821581349 606681950 /nfs/dbraw/zinc/68/19/50/606681950.db2.gz JEPLWNWPDWRKST-UHFFFAOYSA-N 1 0 398.417 1.974 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821188956 606684171 /nfs/dbraw/zinc/68/41/71/606684171.db2.gz HKUFLGDFCNNFMP-ZDUSSCGKSA-N 1 0 394.426 1.718 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821596626 606688470 /nfs/dbraw/zinc/68/84/70/606688470.db2.gz PZXIAZDCXLQCLI-LBPRGKRZSA-N 1 0 376.411 1.949 20 0 GDADRO CC(C)N(C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)c1ccccc1 ZINC000820112211 606699350 /nfs/dbraw/zinc/69/93/50/606699350.db2.gz MUYDRVMTAWCWNW-UHFFFAOYSA-N 1 0 397.487 1.478 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000821585976 606702380 /nfs/dbraw/zinc/70/23/80/606702380.db2.gz DEQLCGBFZOCTDX-UHFFFAOYSA-N 1 0 399.459 1.040 20 0 GDADRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)COC1CCOCC1 ZINC000820120329 606705335 /nfs/dbraw/zinc/70/53/35/606705335.db2.gz CCXDGTMNGQHYJN-QGZVFWFLSA-N 1 0 375.473 1.634 20 0 GDADRO COC(=O)C1CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000821655202 606705979 /nfs/dbraw/zinc/70/59/79/606705979.db2.gz HAPBNOXFXSEURP-UHFFFAOYSA-N 1 0 381.440 1.746 20 0 GDADRO CC1(C2CC[NH+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)OCCO1 ZINC000820612471 606719595 /nfs/dbraw/zinc/71/95/95/606719595.db2.gz FLXKTNFEUJFPPE-UHFFFAOYSA-N 1 0 386.456 1.670 20 0 GDADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000819867609 606719618 /nfs/dbraw/zinc/71/96/18/606719618.db2.gz UUNWNTAOKHRXIB-CYBMUJFWSA-N 1 0 386.456 1.669 20 0 GDADRO Cc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(OCC2CC2)c1 ZINC000822238504 606726378 /nfs/dbraw/zinc/72/63/78/606726378.db2.gz KFLXGLNOIVJMFS-HNNXBMFYSA-N 1 0 394.483 1.992 20 0 GDADRO COCCOc1cc(C)ccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821692795 606729244 /nfs/dbraw/zinc/72/92/44/606729244.db2.gz CGHDDWNLSGIBTJ-CQSZACIVSA-N 1 0 398.471 1.228 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000822145255 606746712 /nfs/dbraw/zinc/74/67/12/606746712.db2.gz PMGZNZMXFUNYMC-UHFFFAOYSA-N 1 0 390.469 1.521 20 0 GDADRO CC1(C2CC[NH+](CCC(=O)Nc3sccc3-c3nn[nH]n3)CC2)OCCO1 ZINC000820612751 606750219 /nfs/dbraw/zinc/75/02/19/606750219.db2.gz IFKIUFWFXSCHDB-UHFFFAOYSA-N 1 0 392.485 1.732 20 0 GDADRO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@H]32)c(-c2nn[nH]n2)c1C ZINC000822559231 606773767 /nfs/dbraw/zinc/77/37/67/606773767.db2.gz YXRMZNKBVVWMHY-QWHCGFSZSA-N 1 0 376.486 1.984 20 0 GDADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000820542164 606775184 /nfs/dbraw/zinc/77/51/84/606775184.db2.gz LPEZKYCWACISGD-ZFWWWQNUSA-N 1 0 386.456 1.004 20 0 GDADRO Cc1cccc(OCC[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000822328934 606784607 /nfs/dbraw/zinc/78/46/07/606784607.db2.gz VUZDPVMDDZLYDF-HNNXBMFYSA-N 1 0 380.456 1.555 20 0 GDADRO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821592732 606793073 /nfs/dbraw/zinc/79/30/73/606793073.db2.gz RXIWVKXCSCIRCQ-QGZVFWFLSA-N 1 0 398.492 1.762 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821599060 606819207 /nfs/dbraw/zinc/81/92/07/606819207.db2.gz DLRBFMLKEIYHPV-ZDUSSCGKSA-N 1 0 389.435 1.277 20 0 GDADRO COC(=O)C[C@@H]1CSCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821660101 606822027 /nfs/dbraw/zinc/82/20/27/606822027.db2.gz FXMVGQQBQWZAQA-CQSZACIVSA-N 1 0 390.469 1.176 20 0 GDADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1sccc1-c1nn[nH]n1 ZINC000823166356 606833742 /nfs/dbraw/zinc/83/37/42/606833742.db2.gz JJWLKLXKEKIBJC-CQSZACIVSA-N 1 0 384.465 1.077 20 0 GDADRO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000821727100 606844826 /nfs/dbraw/zinc/84/48/26/606844826.db2.gz BYDSKDBEPNBKFH-QGZVFWFLSA-N 1 0 381.436 1.976 20 0 GDADRO O=C(N1CC[NH2+]CC1)N1CCN(CCOc2ccccc2Br)CC1 ZINC000530225943 649968294 /nfs/dbraw/zinc/96/82/94/649968294.db2.gz YSPSEFSOEBHSFN-UHFFFAOYSA-N 1 0 397.317 1.471 20 0 GDADRO CC(=O)Nc1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000819825957 606854989 /nfs/dbraw/zinc/85/49/89/606854989.db2.gz ACPIQPJWPRFMAS-LJQANCHMSA-N 1 0 378.436 1.917 20 0 GDADRO O=C(c1ccsc1)N1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823498348 606856405 /nfs/dbraw/zinc/85/64/05/606856405.db2.gz MAMMCJNHMYASKF-KRWDZBQOSA-N 1 0 398.492 1.810 20 0 GDADRO O=C(N1CC[NH2+]CC1)N1CCN(Cc2cccc(O)c2Br)CC1 ZINC000530244008 649968607 /nfs/dbraw/zinc/96/86/07/649968607.db2.gz USKDEQYSARDUDT-UHFFFAOYSA-N 1 0 383.290 1.298 20 0 GDADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821015298 606891911 /nfs/dbraw/zinc/89/19/11/606891911.db2.gz OSSKPJAGTIDDJV-QGTPRVQTSA-N 1 0 386.500 1.917 20 0 GDADRO O=C([C@@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1)N1CCCC1 ZINC000822918139 606898175 /nfs/dbraw/zinc/89/81/75/606898175.db2.gz ZRELAQYOJIXDSN-QGZVFWFLSA-N 1 0 384.484 1.970 20 0 GDADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-c2nn[nH]n2)nc1 ZINC000823363416 606917651 /nfs/dbraw/zinc/91/76/51/606917651.db2.gz CLPJCAZQXZIRBO-UHFFFAOYSA-N 1 0 393.451 1.718 20 0 GDADRO C[N@@H+]1CCN(c2cccc(F)c2-c2nn[nH]n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000821628279 606969776 /nfs/dbraw/zinc/96/97/76/606969776.db2.gz DZSNFLQELJZPHV-LBPRGKRZSA-N 1 0 391.451 1.651 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000821267320 607047291 /nfs/dbraw/zinc/04/72/91/607047291.db2.gz MLRGKRKAPSRASM-GOSISDBHSA-N 1 0 399.499 1.641 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1)C(C)(C)C[NH+](C)C ZINC000820314158 607094749 /nfs/dbraw/zinc/09/47/49/607094749.db2.gz IDIGFALGVVYPEM-SNVBAGLBSA-N 1 0 393.879 1.551 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000822216276 607095854 /nfs/dbraw/zinc/09/58/54/607095854.db2.gz KSYAJJGRUAKJOO-UHFFFAOYSA-N 1 0 397.483 1.591 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000821702190 607149766 /nfs/dbraw/zinc/14/97/66/607149766.db2.gz KUIJIDMHJJTPGQ-BBRMVZONSA-N 1 0 377.470 1.460 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000821702193 607150019 /nfs/dbraw/zinc/15/00/19/607150019.db2.gz KUIJIDMHJJTPGQ-XJKSGUPXSA-N 1 0 377.470 1.460 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000823314550 607182180 /nfs/dbraw/zinc/18/21/80/607182180.db2.gz PSHHNJKFKHRDDK-GFCCVEGCSA-N 1 0 389.847 1.059 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)C(C)(C)C[NH+](C)C ZINC000820315237 607184031 /nfs/dbraw/zinc/18/40/31/607184031.db2.gz MLZLDYBVGALIKT-SNVBAGLBSA-N 1 0 393.879 1.551 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000823182815 607195217 /nfs/dbraw/zinc/19/52/17/607195217.db2.gz OLYUIRLXHLRADA-RYUDHWBXSA-N 1 0 377.836 1.505 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823150024 607225183 /nfs/dbraw/zinc/22/51/83/607225183.db2.gz KDEVSKLCEYEKOM-UONOGXRCSA-N 1 0 376.486 1.426 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821623566 607230760 /nfs/dbraw/zinc/23/07/60/607230760.db2.gz NJXVGFGWPPVEEP-ABAIWWIYSA-N 1 0 396.904 1.625 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)Cc1ccccc1 ZINC000821579706 607231345 /nfs/dbraw/zinc/23/13/45/607231345.db2.gz LDTAOPPECKPXPW-AWEZNQCLSA-N 1 0 385.859 1.818 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cccc1-c1nn[nH]n1 ZINC000826240782 607775239 /nfs/dbraw/zinc/77/52/39/607775239.db2.gz HGOPCPBFAFSYFK-CQSZACIVSA-N 1 0 385.472 1.350 20 0 GDADRO Cc1nnccc1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826337156 607793300 /nfs/dbraw/zinc/79/33/00/607793300.db2.gz DSHXEKMCXWRMBO-UHFFFAOYSA-N 1 0 378.440 1.313 20 0 GDADRO Cc1ccc(OCC[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826292217 607814856 /nfs/dbraw/zinc/81/48/56/607814856.db2.gz LTLBYQREMRXMRL-UHFFFAOYSA-N 1 0 387.465 1.617 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000826263707 607848882 /nfs/dbraw/zinc/84/88/82/607848882.db2.gz MXVAKJVGDMGKJM-HNNXBMFYSA-N 1 0 379.468 1.943 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000826175263 607871013 /nfs/dbraw/zinc/87/10/13/607871013.db2.gz YNARRQXFIYUIPG-QGZVFWFLSA-N 1 0 381.436 1.673 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[nH]n4)c3)C2)CC1 ZINC000826021969 607907125 /nfs/dbraw/zinc/90/71/25/607907125.db2.gz GUPYTXCWDYZGBB-CYBMUJFWSA-N 1 0 394.476 1.358 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000826407342 607997667 /nfs/dbraw/zinc/99/76/67/607997667.db2.gz JSSUARGSQTXIFH-UHFFFAOYSA-N 1 0 393.451 1.723 20 0 GDADRO C[N@@H+]1CC[C@@H](NC(=O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826029656 608007207 /nfs/dbraw/zinc/00/72/07/608007207.db2.gz VFQGSAKAQDUPFV-MJGOQNOKSA-N 1 0 378.436 1.807 20 0 GDADRO CS[C@H]1CN(C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1[NH+](C)C ZINC000826227842 608015543 /nfs/dbraw/zinc/01/55/43/608015543.db2.gz YOUQJCWVLKFBLH-CABCVRRESA-N 1 0 392.554 1.604 20 0 GDADRO CCC(=O)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)cc1 ZINC000825034346 608019496 /nfs/dbraw/zinc/01/94/96/608019496.db2.gz IBMRMQFIQXSBGP-UHFFFAOYSA-N 1 0 382.428 1.587 20 0 GDADRO CCCc1ncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)s1 ZINC000825352447 608020161 /nfs/dbraw/zinc/02/01/61/608020161.db2.gz NSOURSWBCDZSIS-UHFFFAOYSA-N 1 0 375.462 1.403 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Sc2ccccn2)c1-c1nn[nH]n1 ZINC000826073035 608020816 /nfs/dbraw/zinc/02/08/16/608020816.db2.gz BGUNEWCAXTXHDG-SNVBAGLBSA-N 1 0 387.473 1.256 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)c1-c1nn[nH]n1 ZINC000826077617 608021377 /nfs/dbraw/zinc/02/13/77/608021377.db2.gz OKANKYUCUBBHGX-HNNXBMFYSA-N 1 0 396.455 1.301 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)c1-c1nn[nH]n1 ZINC000826077609 608022078 /nfs/dbraw/zinc/02/20/78/608022078.db2.gz OJAYLNSNHIXUFM-GHMZBOCLSA-N 1 0 386.485 1.854 20 0 GDADRO COc1ncc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1Cl ZINC000826222108 608036410 /nfs/dbraw/zinc/03/64/10/608036410.db2.gz IRIUYCHGHCETRM-UHFFFAOYSA-N 1 0 377.840 1.294 20 0 GDADRO Cc1ccc(-c2nnc(C[N@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)o2)cc1 ZINC000826273624 608036484 /nfs/dbraw/zinc/03/64/84/608036484.db2.gz NEXMPUBRQWBYSD-UHFFFAOYSA-N 1 0 394.443 1.595 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000824297005 608060856 /nfs/dbraw/zinc/06/08/56/608060856.db2.gz ODLXVLFYWHFJLY-GOSISDBHSA-N 1 0 399.499 1.822 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC000824945804 608062123 /nfs/dbraw/zinc/06/21/23/608062123.db2.gz GCAPSFZYYZQKDE-QAPCUYQASA-N 1 0 399.499 1.682 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824402658 608126354 /nfs/dbraw/zinc/12/63/54/608126354.db2.gz XQGSSSIRAUQYDR-GFCCVEGCSA-N 1 0 382.465 1.549 20 0 GDADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-c2nn[nH]n2)cn1 ZINC000826429822 608134931 /nfs/dbraw/zinc/13/49/31/608134931.db2.gz NSLRJONWNVSLIC-OKZBNKHCSA-N 1 0 389.463 1.902 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1-c1nn[nH]n1 ZINC000826298815 608146253 /nfs/dbraw/zinc/14/62/53/608146253.db2.gz HVJKJOAKCZVQCU-AWEZNQCLSA-N 1 0 385.472 1.494 20 0 GDADRO O=C([C@@H](O)c1ccccc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737782963 608184643 /nfs/dbraw/zinc/18/46/43/608184643.db2.gz QVLGCCFJBGYXFK-IBGZPJMESA-N 1 0 392.463 1.635 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000826328470 608201581 /nfs/dbraw/zinc/20/15/81/608201581.db2.gz SDOLYDHLWISOTE-CHWSQXEVSA-N 1 0 397.487 1.010 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000826174289 608214459 /nfs/dbraw/zinc/21/44/59/608214459.db2.gz QNYXBFJCPMREGS-ZDUSSCGKSA-N 1 0 388.472 1.443 20 0 GDADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826422098 608250795 /nfs/dbraw/zinc/25/07/95/608250795.db2.gz MHXPVHZBUHVRSU-UHFFFAOYSA-N 1 0 377.452 1.837 20 0 GDADRO CCC[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825307513 608254109 /nfs/dbraw/zinc/25/41/09/608254109.db2.gz CGELLILUMIWCOF-GOSISDBHSA-N 1 0 384.484 1.716 20 0 GDADRO NC(=O)c1cc(OC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)ccn1 ZINC000826392626 608265016 /nfs/dbraw/zinc/26/50/16/608265016.db2.gz GFSIXUDUSHQQAK-UHFFFAOYSA-N 1 0 379.424 1.404 20 0 GDADRO CCC[C@@H]1CN(c2nnc(CC)c(CC)c2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825261287 608303626 /nfs/dbraw/zinc/30/36/26/608303626.db2.gz VYDWSDFCTGKOPX-CQSZACIVSA-N 1 0 388.520 1.719 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000824976093 608306085 /nfs/dbraw/zinc/30/60/85/608306085.db2.gz MVBYAFAOJCLXFA-KGLIPLIRSA-N 1 0 395.471 1.727 20 0 GDADRO COCC[N@H+](CCC(=O)OC)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000826158054 608312056 /nfs/dbraw/zinc/31/20/56/608312056.db2.gz YCPXWXMGGZXEGJ-UHFFFAOYSA-N 1 0 399.455 1.372 20 0 GDADRO CCC[C@@H]1CN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000825252524 608313940 /nfs/dbraw/zinc/31/39/40/608313940.db2.gz IPYZBZSQQRSXAX-GOSISDBHSA-N 1 0 386.500 1.759 20 0 GDADRO C[C@@H](CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)[N@@H+]1CCCC[C@H]1C ZINC000824937159 608326859 /nfs/dbraw/zinc/32/68/59/608326859.db2.gz OBCVKQMLMPHQHR-OLZOCXBDSA-N 1 0 396.492 1.688 20 0 GDADRO O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)NCCC[NH+]1CCCCC1 ZINC000826486165 608327576 /nfs/dbraw/zinc/32/75/76/608327576.db2.gz RGYMWILHPAMOIO-UHFFFAOYSA-N 1 0 382.465 1.301 20 0 GDADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000825860885 608342488 /nfs/dbraw/zinc/34/24/88/608342488.db2.gz ZYKGIYKTEVRKAL-UHFFFAOYSA-N 1 0 396.492 1.748 20 0 GDADRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000825860778 608342707 /nfs/dbraw/zinc/34/27/07/608342707.db2.gz WGVRYFRAGYALFK-UHFFFAOYSA-N 1 0 384.893 1.482 20 0 GDADRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000824604374 608361406 /nfs/dbraw/zinc/36/14/06/608361406.db2.gz BRAUREMVOFGOHD-JTQLQIEISA-N 1 0 376.417 1.504 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)nn2)cc1 ZINC000825411638 608419279 /nfs/dbraw/zinc/41/92/79/608419279.db2.gz ACPGDZBPBFODDE-UHFFFAOYSA-N 1 0 382.428 1.521 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1ccnc1 ZINC000824952783 608452432 /nfs/dbraw/zinc/45/24/32/608452432.db2.gz ATDJTYHAUICZGZ-RHSMWYFYSA-N 1 0 380.456 1.263 20 0 GDADRO NC(=O)CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000826390863 608469097 /nfs/dbraw/zinc/46/90/97/608469097.db2.gz PEIRGQDOTURVQD-UHFFFAOYSA-N 1 0 380.399 1.946 20 0 GDADRO COc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826209842 608469599 /nfs/dbraw/zinc/46/95/99/608469599.db2.gz SWFWAJRDXAXUHY-GFCCVEGCSA-N 1 0 395.423 1.874 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824571052 608484656 /nfs/dbraw/zinc/48/46/56/608484656.db2.gz PNCASDKEVUNCPT-SJCJKPOMSA-N 1 0 387.465 1.654 20 0 GDADRO CNC(=O)[C@H](NC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826051846 608491486 /nfs/dbraw/zinc/49/14/86/608491486.db2.gz OGCAYUPHCQFVLV-FZKQIMNGSA-N 1 0 393.451 1.121 20 0 GDADRO COc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826209945 608493958 /nfs/dbraw/zinc/49/39/58/608493958.db2.gz XLAATQCDJLZCHG-GFCCVEGCSA-N 1 0 395.423 1.874 20 0 GDADRO c1ncn(-c2ccc(C[NH+]3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)cc2)n1 ZINC000826513305 608513797 /nfs/dbraw/zinc/51/37/97/608513797.db2.gz HMNAYTRQLHRPIX-UHFFFAOYSA-N 1 0 388.439 1.165 20 0 GDADRO CS(=O)(=O)C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826222527 608554144 /nfs/dbraw/zinc/55/41/44/608554144.db2.gz ZSQISVCGDLYAHQ-SJORKVTESA-N 1 0 387.465 1.276 20 0 GDADRO C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000824039197 608556294 /nfs/dbraw/zinc/55/62/94/608556294.db2.gz COMZTUFSTWPFIJ-CYBMUJFWSA-N 1 0 397.487 1.084 20 0 GDADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000824569458 608559521 /nfs/dbraw/zinc/55/95/21/608559521.db2.gz IDTMGUWYTJARQS-FZKQIMNGSA-N 1 0 376.424 1.832 20 0 GDADRO CN(CC[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OC(C)(C)C ZINC000825938703 608583408 /nfs/dbraw/zinc/58/34/08/608583408.db2.gz WRUZRQNKHUBSHZ-OAHLLOKOSA-N 1 0 376.461 1.699 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000826175501 608595003 /nfs/dbraw/zinc/59/50/03/608595003.db2.gz HPWITJWBSCMNBL-KBPBESRZSA-N 1 0 388.472 1.585 20 0 GDADRO COc1ccc(CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1-c1nn[nH]n1 ZINC000826197865 608617428 /nfs/dbraw/zinc/61/74/28/608617428.db2.gz FOJGJFGWKWFGKM-UHFFFAOYSA-N 1 0 385.472 1.645 20 0 GDADRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825804707 608667087 /nfs/dbraw/zinc/66/70/87/608667087.db2.gz DWGPTJQWJNEZJV-AWEZNQCLSA-N 1 0 378.444 1.505 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826033483 608683710 /nfs/dbraw/zinc/68/37/10/608683710.db2.gz FFNRSLGEKFWFCK-QGZVFWFLSA-N 1 0 395.515 1.116 20 0 GDADRO COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000530535599 649977817 /nfs/dbraw/zinc/97/78/17/649977817.db2.gz SXNXFYJKEFNEMH-JKSUJKDBSA-N 1 0 376.519 1.137 20 0 GDADRO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000826511031 608752641 /nfs/dbraw/zinc/75/26/41/608752641.db2.gz YMGHVJYAPLTZCZ-CALCHBBNSA-N 1 0 381.436 1.373 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc(F)ccc1O ZINC000825866548 608762259 /nfs/dbraw/zinc/76/22/59/608762259.db2.gz ZXFOFGAPXVTRJS-UHFFFAOYSA-N 1 0 384.415 1.915 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc2nc[nH]c2n1 ZINC000825866304 608865905 /nfs/dbraw/zinc/86/59/05/608865905.db2.gz VCAQFVALDHODOU-UHFFFAOYSA-N 1 0 391.439 1.342 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825412785 609151100 /nfs/dbraw/zinc/15/11/00/609151100.db2.gz UQQFHYAYTMMTMI-CYBMUJFWSA-N 1 0 382.472 1.821 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825412787 609151326 /nfs/dbraw/zinc/15/13/26/609151326.db2.gz UQQFHYAYTMMTMI-ZDUSSCGKSA-N 1 0 382.472 1.821 20 0 GDADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824553300 609152946 /nfs/dbraw/zinc/15/29/46/609152946.db2.gz BFQNBPMTMHXUNS-NSHDSACASA-N 1 0 394.476 1.613 20 0 GDADRO Cc1cc(C(=O)NCC2(C)CC[NH+](C)CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259198 609172546 /nfs/dbraw/zinc/17/25/46/609172546.db2.gz KQUQCPOJMGLHMV-UHFFFAOYSA-N 1 0 394.483 1.823 20 0 GDADRO NC(=O)[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc(F)cc1 ZINC000826389430 609186889 /nfs/dbraw/zinc/18/68/89/609186889.db2.gz YEIRQMBNHCZHQX-CQSZACIVSA-N 1 0 394.414 1.087 20 0 GDADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826441517 609187515 /nfs/dbraw/zinc/18/75/15/609187515.db2.gz ICXZUZLTZWHBFG-LJQANCHMSA-N 1 0 392.463 1.812 20 0 GDADRO COc1ccccc1[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC000826219127 609191399 /nfs/dbraw/zinc/19/13/99/609191399.db2.gz UFJYZEZJDDVAPF-INIZCTEOSA-N 1 0 381.440 1.770 20 0 GDADRO C[N@@H+]1CC[C@H](NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826029741 609256012 /nfs/dbraw/zinc/25/60/12/609256012.db2.gz VSANIFPMFKJIFR-KSZLIROESA-N 1 0 378.436 1.462 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824906115 609265213 /nfs/dbraw/zinc/26/52/13/609265213.db2.gz ABFRZMKPAVOZGK-JKIFEVAISA-N 1 0 397.483 1.351 20 0 GDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000825870596 609299898 /nfs/dbraw/zinc/29/98/98/609299898.db2.gz UHJVGSFSCXRCBT-UHFFFAOYSA-N 1 0 399.842 1.933 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000824473016 609314323 /nfs/dbraw/zinc/31/43/23/609314323.db2.gz YOPBPJZLYJUESB-SNVBAGLBSA-N 1 0 389.847 1.225 20 0 GDADRO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585297 609333672 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MSQXFRIBANMQMU-VQHPVUNQSA-N 1 0 382.468 1.765 20 0 GDADRO O=C(C[NH2+][C@@H](CO)C1CCCCC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826412126 609428927 /nfs/dbraw/zinc/42/89/27/609428927.db2.gz CGQIBCFKNSICMA-HNNXBMFYSA-N 1 0 378.864 1.989 20 0 GDADRO C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)cn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824515938 609448764 /nfs/dbraw/zinc/44/87/64/609448764.db2.gz UNQOCSVINQARLK-ZBFHGGJFSA-N 1 0 379.468 1.846 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1)C(=O)NC(N)=O ZINC000824529051 609449678 /nfs/dbraw/zinc/44/96/78/609449678.db2.gz DEOUYRFWBFSXMT-RYUDHWBXSA-N 1 0 379.424 1.768 20 0 GDADRO Cc1onc(CC(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)c1-c1nn[nH]n1 ZINC000826348366 609469709 /nfs/dbraw/zinc/46/97/09/609469709.db2.gz IXRIXAYPWHCJOJ-UHFFFAOYSA-N 1 0 397.439 1.301 20 0 GDADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826429521 609497833 /nfs/dbraw/zinc/49/78/33/609497833.db2.gz FZESPJAIWDPBSF-USXIJHARSA-N 1 0 377.452 1.835 20 0 GDADRO CC[N@H+]1C[C@H](NC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)[C@@H](C)C1 ZINC000825444460 609574306 /nfs/dbraw/zinc/57/43/06/609574306.db2.gz NTQUVEVJKOCMAT-SJCJKPOMSA-N 1 0 380.456 1.431 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000530910328 649984331 /nfs/dbraw/zinc/98/43/31/649984331.db2.gz RSTYWCSKGUJPOK-INIZCTEOSA-N 1 0 387.933 1.875 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CCSC1 ZINC000533321222 650048011 /nfs/dbraw/zinc/04/80/11/650048011.db2.gz MHJZNVKDRFRWAO-BXUZGUMPSA-N 1 0 382.452 1.276 20 0 GDADRO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)[C@@H]1c1ccccc1 ZINC000534756751 650229904 /nfs/dbraw/zinc/22/99/04/650229904.db2.gz LFVAUACRUOESNA-YOEHRIQHSA-N 1 0 379.507 1.500 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)CSCc2cc(=O)n3ccsc3n2)C[C@H]1C ZINC000535028881 650238739 /nfs/dbraw/zinc/23/87/39/650238739.db2.gz QYGBZFIAOWODSM-OLZOCXBDSA-N 1 0 380.539 1.930 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)co1 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CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)cc1Br ZINC000193224946 645047478 /nfs/dbraw/zinc/04/74/78/645047478.db2.gz JLFQHMWIEHFZLM-JTQLQIEISA-N 1 0 376.276 1.519 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193290171 645048616 /nfs/dbraw/zinc/04/86/16/645048616.db2.gz RSZAYUMEAIJABV-JQWIXIFHSA-N 1 0 375.288 1.790 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000193412339 645050838 /nfs/dbraw/zinc/05/08/38/645050838.db2.gz BCDBNOUIVVSLHG-KCJUWKMLSA-N 1 0 378.248 1.634 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC1CC(C)(C)C1 ZINC000568859121 650974114 /nfs/dbraw/zinc/97/41/14/650974114.db2.gz BSYJWAOXVVJQBY-UHFFFAOYSA-N 1 0 388.555 1.736 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000194731195 645063141 /nfs/dbraw/zinc/06/31/41/645063141.db2.gz IFJIQRHLTFCEES-GFCCVEGCSA-N 1 0 391.287 1.641 20 0 GDADRO C[C@H]([NH3+])CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000194915021 645065093 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392.297 1.979 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000569935521 651018269 /nfs/dbraw/zinc/01/82/69/651018269.db2.gz XQEVBBHKWCWKHW-UHFFFAOYSA-N 1 0 398.301 1.292 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000331637729 645520081 /nfs/dbraw/zinc/52/00/81/645520081.db2.gz MIPPGYLDGKUUDX-MNOVXSKESA-N 1 0 386.315 1.537 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000331733471 645530964 /nfs/dbraw/zinc/53/09/64/645530964.db2.gz STQJKTUTQRURHW-MWLCHTKSSA-N 1 0 384.249 1.673 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333772487 645542375 /nfs/dbraw/zinc/54/23/75/645542375.db2.gz CFPKJMNJFLZPNY-BONVTDFDSA-N 1 0 386.315 1.983 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC=CCC2)cc[nH+]1 ZINC000349565771 645558214 /nfs/dbraw/zinc/55/82/14/645558214.db2.gz JTZSEHPFBUCGBZ-HNNXBMFYSA-N 1 0 387.527 1.219 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368815678 645626174 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CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000570335379 651035960 /nfs/dbraw/zinc/03/59/60/651035960.db2.gz BOVKHYCSXSCAIB-QMTHXVAHSA-N 1 0 377.894 1.313 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(I)c[nH]1 ZINC000371667945 645752801 /nfs/dbraw/zinc/75/28/01/645752801.db2.gz MQOOODOJVORTJL-GHMZBOCLSA-N 1 0 375.210 1.212 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000570506895 651042987 /nfs/dbraw/zinc/04/29/87/651042987.db2.gz YTAUQKMATAGXTB-CQSZACIVSA-N 1 0 394.313 1.886 20 0 GDADRO O=C1C[C@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CN1C1CC1 ZINC000570510081 651043373 /nfs/dbraw/zinc/04/33/73/651043373.db2.gz QNKYJTDYPBAJRQ-IUODEOHRSA-N 1 0 383.286 1.789 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3ccc(Br)cc3)[C@H]2C1 ZINC000372140708 645782294 /nfs/dbraw/zinc/78/22/94/645782294.db2.gz QZPFGNFUFKCHIT-DOMZBBRYSA-N 1 0 380.286 1.732 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@](C)(O)COC ZINC000570516702 651043771 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1.349 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414434241 645891327 /nfs/dbraw/zinc/89/13/27/645891327.db2.gz CVVADCRZBHAUKQ-DGCLKSJQSA-N 1 0 380.557 1.349 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1 ZINC000415419426 645893133 /nfs/dbraw/zinc/89/31/33/645893133.db2.gz QECPGWPUHBJKBH-SECBINFHSA-N 1 0 375.210 1.344 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000415423227 645894005 /nfs/dbraw/zinc/89/40/05/645894005.db2.gz FPBZLHMZHLTENM-NSHDSACASA-N 1 0 390.893 1.140 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000415423219 645894150 /nfs/dbraw/zinc/89/41/50/645894150.db2.gz FMXYPZLZVNAOFM-LBPRGKRZSA-N 1 0 389.905 1.562 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415423678 645894664 /nfs/dbraw/zinc/89/46/64/645894664.db2.gz ZGBUMVUYGNHDDQ-NSHDSACASA-N 1 0 394.273 1.438 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000415510887 645895336 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1.914 20 0 GDADRO O=C(NCCCc1ccc(Br)cc1F)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419177419 645913484 /nfs/dbraw/zinc/91/34/84/645913484.db2.gz SBAHYYDBABGZAL-CYBMUJFWSA-N 1 0 386.265 1.505 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000419400594 645916118 /nfs/dbraw/zinc/91/61/18/645916118.db2.gz LKVIRUZANSCPMW-UHFFFAOYSA-N 1 0 375.256 1.270 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc(O)c(Br)c1)C1CCCC1 ZINC000419402189 645916166 /nfs/dbraw/zinc/91/61/66/645916166.db2.gz BONOFWDONUNYEL-CYBMUJFWSA-N 1 0 384.274 1.405 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000419417617 645916703 /nfs/dbraw/zinc/91/67/03/645916703.db2.gz XLZVNJVVTJQMSU-SNVBAGLBSA-N 1 0 384.274 1.357 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1Br ZINC000419435872 645917286 /nfs/dbraw/zinc/91/72/86/645917286.db2.gz DAEDIBDCYGYXRA-CMPLNLGQSA-N 1 0 384.274 1.270 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1Br ZINC000419437548 645917664 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C[C@H]1CCCN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)[C@H]1C[NH3+] ZINC000419645978 645926316 /nfs/dbraw/zinc/92/63/16/645926316.db2.gz PZNYEPQVMDUHGR-UWVGGRQHSA-N 1 0 378.420 1.406 20 0 GDADRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCCC1 ZINC000419710467 645927764 /nfs/dbraw/zinc/92/77/64/645927764.db2.gz QOARGJYKMCQMFW-UHFFFAOYSA-N 1 0 380.919 1.434 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000419765416 645930791 /nfs/dbraw/zinc/93/07/91/645930791.db2.gz XHGRUQMLUOXABL-RYUDHWBXSA-N 1 0 385.295 1.509 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420183831 645937422 /nfs/dbraw/zinc/93/74/22/645937422.db2.gz HTJOXJNMZXZXGR-GWCFXTLKSA-N 1 0 386.265 1.790 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000420191896 645938594 /nfs/dbraw/zinc/93/85/94/645938594.db2.gz AOBKSCHEPMQNNY-CABCVRRESA-N 1 0 396.285 1.217 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000420191616 645938685 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C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421915326 646024723 /nfs/dbraw/zinc/02/47/23/646024723.db2.gz UMNGRKQAUJGJEJ-UHFFFAOYSA-N 1 0 383.495 1.417 20 0 GDADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCc2cc(Br)cs2)C1 ZINC000422100085 646039802 /nfs/dbraw/zinc/03/98/02/646039802.db2.gz PJTIIRVLDMLEEF-LLVKDONJSA-N 1 0 388.331 1.975 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000422114938 646041658 /nfs/dbraw/zinc/04/16/58/646041658.db2.gz JHYHHCWKHKOLST-MRXNPFEDSA-N 1 0 394.313 1.886 20 0 GDADRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1C[NH3+] ZINC000422633851 646085874 /nfs/dbraw/zinc/08/58/74/646085874.db2.gz IVHBVTURRJXLMO-JHJVBQTASA-N 1 0 387.933 1.987 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)C[C@H]2COCCN2)s1 ZINC000422721971 646097503 /nfs/dbraw/zinc/09/75/03/646097503.db2.gz WLBPAJIESSFROZ-GJZGRUSLSA-N 1 0 389.587 1.678 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422731022 646098727 /nfs/dbraw/zinc/09/87/27/646098727.db2.gz GFNVNRFHASBDSZ-ZIAGYGMSSA-N 1 0 384.274 1.062 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H](C)[NH3+] ZINC000422925052 646099960 /nfs/dbraw/zinc/09/99/60/646099960.db2.gz UYSFOLYAALNTCT-CJNGLKHVSA-N 1 0 387.933 1.792 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC1(n2cc(Br)cn2)CC1 ZINC000916842586 660202630 /nfs/dbraw/zinc/20/26/30/660202630.db2.gz OJMRYLCOPQGKRJ-KGLIPLIRSA-N 1 0 398.305 1.297 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422974452 646104508 /nfs/dbraw/zinc/10/45/08/646104508.db2.gz QZWBQROMBIKBGA-INIZCTEOSA-N 1 0 394.313 1.708 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000422989215 646105492 /nfs/dbraw/zinc/10/54/92/646105492.db2.gz KXQZRHYCAODOIN-GXTWGEPZSA-N 1 0 380.286 1.475 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2Br)C1 ZINC000422992251 646106289 /nfs/dbraw/zinc/10/62/89/646106289.db2.gz QXJNXMPLPJWUHN-ZDUSSCGKSA-N 1 0 382.302 1.866 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000422998020 646106964 /nfs/dbraw/zinc/10/69/64/646106964.db2.gz PFSGHQFSKPLZLF-GXTWGEPZSA-N 1 0 382.302 1.993 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC([NH+](C)C)C2)cc1F ZINC000916929529 660203576 /nfs/dbraw/zinc/20/35/76/660203576.db2.gz FVEYCPDLOWSVLL-UHFFFAOYSA-N 1 0 393.506 1.347 20 0 GDADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423113051 646114509 /nfs/dbraw/zinc/11/45/09/646114509.db2.gz YFLIUHYYDWOALR-CQSZACIVSA-N 1 0 382.302 1.993 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000423135956 646116369 /nfs/dbraw/zinc/11/63/69/646116369.db2.gz OTEBJYHOAVYLRT-LLVKDONJSA-N 1 0 388.331 1.927 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000423177835 646117985 /nfs/dbraw/zinc/11/79/85/646117985.db2.gz JSBPEXBAIQNQJQ-CABCVRRESA-N 1 0 396.285 1.299 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000423186774 646118592 /nfs/dbraw/zinc/11/85/92/646118592.db2.gz XGTKTFFFQOLCLZ-HNNXBMFYSA-N 1 0 396.285 1.299 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCc2c(Br)cccc2C1 ZINC000423231763 646119378 /nfs/dbraw/zinc/11/93/78/646119378.db2.gz LQZRBQIBJLRKRQ-CJNGLKHVSA-N 1 0 392.297 1.544 20 0 GDADRO CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000423256199 646122544 /nfs/dbraw/zinc/12/25/44/646122544.db2.gz BMJLPPFQNHFXJT-CYBMUJFWSA-N 1 0 398.326 1.876 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423516402 646125809 /nfs/dbraw/zinc/12/58/09/646125809.db2.gz TYPSGSKFDBMLLT-OLZOCXBDSA-N 1 0 398.276 1.615 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)Cc1cc(OC)ccc1Br ZINC000423518013 646126638 /nfs/dbraw/zinc/12/66/38/646126638.db2.gz ZACKHDHBNLWILQ-UHFFFAOYSA-N 1 0 386.290 1.484 20 0 GDADRO O=C(C(=O)N1CCC(c2ccc(Br)cc2)CC1)N1CC[NH2+]CC1 ZINC000423524104 646127452 /nfs/dbraw/zinc/12/74/52/646127452.db2.gz ZILTUHRGSQAKOY-UHFFFAOYSA-N 1 0 380.286 1.587 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000423587314 646133921 /nfs/dbraw/zinc/13/39/21/646133921.db2.gz BZRIWNQEDUKAGS-JGGQBBKZSA-N 1 0 394.313 1.993 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C[C@H](C)[NH2+]1 ZINC000423597465 646135734 /nfs/dbraw/zinc/13/57/34/646135734.db2.gz UERDKTNZXOPYRN-TYNCELHUSA-N 1 0 395.301 1.716 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423609233 646136520 /nfs/dbraw/zinc/13/65/20/646136520.db2.gz YHFFBOGKGACEHJ-CQSZACIVSA-N 1 0 398.301 1.374 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423617552 646137972 /nfs/dbraw/zinc/13/79/72/646137972.db2.gz GOKCMHXXLJLHHU-CYBMUJFWSA-N 1 0 386.265 1.886 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423625557 646138498 /nfs/dbraw/zinc/13/84/98/646138498.db2.gz DCTVGBFGQOCFRG-JSGCOSHPSA-N 1 0 382.302 1.646 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)N(C)Cc2cccc(Cl)c2Cl)[C@H](C[NH3+])C1 ZINC000423683736 646142727 /nfs/dbraw/zinc/14/27/27/646142727.db2.gz XCUXQZGJJWVAOT-STQMWFEESA-N 1 0 388.295 1.917 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CN1c2ccc(Br)cc2OCC1=O ZINC000423954831 646146198 /nfs/dbraw/zinc/14/61/98/646146198.db2.gz NLVLDCOFSDFABZ-CYBMUJFWSA-N 1 0 384.274 1.664 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423969420 646148135 /nfs/dbraw/zinc/14/81/35/646148135.db2.gz ZVVKJUOYJQYTKD-NHCYSSNCSA-N 1 0 379.404 1.178 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)nn1 ZINC000423994422 646150559 /nfs/dbraw/zinc/15/05/59/646150559.db2.gz LMDGWZFJHUQVTF-LBPRGKRZSA-N 1 0 384.209 1.392 20 0 GDADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cnccc2C(F)(F)F)CCCO1 ZINC000432324013 646180100 /nfs/dbraw/zinc/18/01/00/646180100.db2.gz GWYUWQIFUMQOIO-LBPRGKRZSA-N 1 0 381.420 1.880 20 0 GDADRO NC(=O)C1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438846709 646224434 /nfs/dbraw/zinc/22/44/34/646224434.db2.gz BZOUZVFXHVHXNV-ZDUSSCGKSA-N 1 0 375.238 1.525 20 0 GDADRO CC(C)C[N@@H+](CC(N)=O)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439441383 646232163 /nfs/dbraw/zinc/23/21/63/646232163.db2.gz JLTQECGFWBLOCC-CYBMUJFWSA-N 1 0 377.254 1.771 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000440440766 646243401 /nfs/dbraw/zinc/24/34/01/646243401.db2.gz QAPWAFBNMBOEOH-LLVKDONJSA-N 1 0 375.288 1.973 20 0 GDADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000440446807 646244210 /nfs/dbraw/zinc/24/42/10/646244210.db2.gz NEGPLMMPEPTAHV-MRVPVSSYSA-N 1 0 391.291 1.827 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000442597339 646273302 /nfs/dbraw/zinc/27/33/02/646273302.db2.gz AECDYUKKSRHAKN-GFCCVEGCSA-N 1 0 393.285 1.746 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC000917961265 660226106 /nfs/dbraw/zinc/22/61/06/660226106.db2.gz TYXVMOLRRJNGGF-CQSZACIVSA-N 1 0 399.308 1.902 20 0 GDADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000900481684 659112944 /nfs/dbraw/zinc/11/29/44/659112944.db2.gz CKTGVINNNJICPK-YOEHRIQHSA-N 1 0 398.301 1.140 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCO[C@]23CCOC3)s1 ZINC000903088887 659294404 /nfs/dbraw/zinc/29/44/04/659294404.db2.gz MNWGNMHKJJXOMA-WBVHZDCISA-N 1 0 388.555 1.859 20 0 GDADRO C[NH2+]C1CCN(S(=O)(=O)c2ccc(I)s2)CC1 ZINC000903485215 659316636 /nfs/dbraw/zinc/31/66/36/659316636.db2.gz AVKHUSGVUOQKNR-UHFFFAOYSA-N 1 0 386.280 1.725 20 0 GDADRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(I)s2)CC[NH2+]1 ZINC000903494176 659318418 /nfs/dbraw/zinc/31/84/18/659318418.db2.gz CLFUMHUIMPDXNN-JGVFFNPUSA-N 1 0 386.280 1.772 20 0 GDADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1cnc(Br)cn1 ZINC000918316444 660233578 /nfs/dbraw/zinc/23/35/78/660233578.db2.gz FTARUQMBCUVKGH-ZDUSSCGKSA-N 1 0 375.292 1.144 20 0 GDADRO COc1c(F)cc(S(=O)(=O)NCCCN2CCC[N@H+](C)CC2)cc1F ZINC000919692759 660256471 /nfs/dbraw/zinc/25/64/71/660256471.db2.gz HODDDHXCQKXDSQ-UHFFFAOYSA-N 1 0 377.457 1.279 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000442773167 647163626 /nfs/dbraw/zinc/16/36/26/647163626.db2.gz WSAQWJDORRGKPY-VXGBXAGGSA-N 1 0 388.921 1.198 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC[N@@H+]1C ZINC000442959153 647165833 /nfs/dbraw/zinc/16/58/33/647165833.db2.gz YLVQDUNXKVWXGL-SKDRFNHKSA-N 1 0 390.303 1.309 20 0 GDADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000442959383 647165852 /nfs/dbraw/zinc/16/58/52/647165852.db2.gz YZTDNJXFWPYDQD-VIFPVBQESA-N 1 0 378.292 1.167 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1csnc1C(=O)OC ZINC000443046233 647176224 /nfs/dbraw/zinc/17/62/24/647176224.db2.gz JDIMWMQXMMGYIG-LBPRGKRZSA-N 1 0 375.516 1.863 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)[NH+]1CCCCC1 ZINC000919959444 660260365 /nfs/dbraw/zinc/26/03/65/660260365.db2.gz SIXBMANQOSUHCU-GFCCVEGCSA-N 1 0 393.506 1.350 20 0 GDADRO COc1ccc(Cl)cc1CS(=O)(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000443298557 647198040 /nfs/dbraw/zinc/19/80/40/647198040.db2.gz HWBLACJTCNKAFB-INIZCTEOSA-N 1 0 390.933 1.861 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444270546 647247664 /nfs/dbraw/zinc/24/76/64/647247664.db2.gz VIVHCWVSBLVXRE-GDBMZVCRSA-N 1 0 385.555 1.345 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cccnc3Cl)C2)[C@@H]1C(C)C ZINC000920296640 660269366 /nfs/dbraw/zinc/26/93/66/660269366.db2.gz VGFBBXHCACEABM-LNCBFAARSA-N 1 0 387.933 1.883 20 0 GDADRO C[C@@H](C(=O)OCCC[NH+](C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000920088371 660265458 /nfs/dbraw/zinc/26/54/58/660265458.db2.gz DAXBNZJSLQUDEP-JTQLQIEISA-N 1 0 383.242 1.929 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(S(N)(=O)=O)s2)C[C@H]1C ZINC000446908792 647296807 /nfs/dbraw/zinc/29/68/07/647296807.db2.gz QWWWMGOASIKNFS-GHMZBOCLSA-N 1 0 375.516 1.349 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000446924495 647298329 /nfs/dbraw/zinc/29/83/29/647298329.db2.gz GXCIFQZJCQEWDX-MELADBBJSA-N 1 0 388.511 1.407 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000452341277 647321063 /nfs/dbraw/zinc/32/10/63/647321063.db2.gz CAQHKHDIPDLKLN-HNNXBMFYSA-N 1 0 399.285 1.812 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cn2ccc(Br)cc2n1 ZINC000452786937 647324834 /nfs/dbraw/zinc/32/48/34/647324834.db2.gz ZHLLLTDCQWMCQO-CYBMUJFWSA-N 1 0 381.274 1.673 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1nn(C)cc1I ZINC000454472039 647357140 /nfs/dbraw/zinc/35/71/40/647357140.db2.gz VJGRHLYNACUHCI-JTQLQIEISA-N 1 0 393.273 1.554 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000921078659 660281286 /nfs/dbraw/zinc/28/12/86/660281286.db2.gz RNJSKUJQTFAZTC-JTQLQIEISA-N 1 0 392.319 1.557 20 0 GDADRO O=C(NCCc1nc(C(F)(F)F)cs1)NC[C@H]1CCCC[N@H+]1CCO ZINC000458460874 647441267 /nfs/dbraw/zinc/44/12/67/647441267.db2.gz FSENVWTWTSGCQI-LLVKDONJSA-N 1 0 380.436 1.850 20 0 GDADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000461900923 647503344 /nfs/dbraw/zinc/50/33/44/647503344.db2.gz MYCXJRBRPJHLHT-CYBMUJFWSA-N 1 0 380.919 1.242 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)OCC)CC2)C1 ZINC000462576503 647532133 /nfs/dbraw/zinc/53/21/33/647532133.db2.gz FZSHUUSWFDMARK-HNNXBMFYSA-N 1 0 375.535 1.170 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463255188 647555487 /nfs/dbraw/zinc/55/54/87/647555487.db2.gz BOWSCXSWDNKMAO-INIZCTEOSA-N 1 0 386.290 1.496 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000463812247 647566247 /nfs/dbraw/zinc/56/62/47/647566247.db2.gz PHHRYRYRPZZMBB-SNVBAGLBSA-N 1 0 384.221 1.992 20 0 GDADRO CCC[N@H+](C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000463940836 647569061 /nfs/dbraw/zinc/56/90/61/647569061.db2.gz RMGZCDHYMCVPNP-UHFFFAOYSA-N 1 0 387.571 1.923 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000921434094 660299928 /nfs/dbraw/zinc/29/99/28/660299928.db2.gz BODRKRYMDGGULN-BXUZGUMPSA-N 1 0 382.306 1.917 20 0 GDADRO CCn1c(C[NH2+]CCN2CCOCC2)nc(Br)c1Br ZINC000921472458 660303573 /nfs/dbraw/zinc/30/35/73/660303573.db2.gz HAAQGBOCIUFRCG-UHFFFAOYSA-N 1 0 396.127 1.850 20 0 GDADRO O=C(NCc1cnn(CC(F)(F)F)c1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921506066 660306192 /nfs/dbraw/zinc/30/61/92/660306192.db2.gz ICHKRCSGUZSFFI-STQMWFEESA-N 1 0 377.436 1.824 20 0 GDADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](NS(C)(=O)=O)[C@@H](C)CC)CC1 ZINC000469479149 647712514 /nfs/dbraw/zinc/71/25/14/647712514.db2.gz BZMMRGFOCXJHSW-RDJZCZTQSA-N 1 0 375.579 1.921 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000470306888 647722374 /nfs/dbraw/zinc/72/23/74/647722374.db2.gz GRIQEFKDTIQASC-OAHLLOKOSA-N 1 0 377.576 1.038 20 0 GDADRO C[C@H](C[NH3+])NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000470453450 647726721 /nfs/dbraw/zinc/72/67/21/647726721.db2.gz NLFXREZYEYWJHC-ZWNOBZJWSA-N 1 0 390.303 1.066 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)C[NH+](C)C ZINC000921631601 660316740 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CC[NH+](CC)CCN(C(=O)c1cnn(C)c1SC)[C@@H]1CCS(=O)(=O)C1 ZINC000479392633 647830367 /nfs/dbraw/zinc/83/03/67/647830367.db2.gz OEUPMTFUJCYZSB-CYBMUJFWSA-N 1 0 388.559 1.113 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)cc1C ZINC000481823039 647887196 /nfs/dbraw/zinc/88/71/96/647887196.db2.gz JCSDAKBLYIVEGX-UHFFFAOYSA-N 1 0 384.483 1.165 20 0 GDADRO CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000482903804 647898708 /nfs/dbraw/zinc/89/87/08/647898708.db2.gz SSVOOHNQODJNJE-MRXNPFEDSA-N 1 0 375.535 1.096 20 0 GDADRO C[C@@]1(C(N)=O)CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000483284727 647901547 /nfs/dbraw/zinc/90/15/47/647901547.db2.gz IXWJFKFKVRLUCZ-SWLSCSKDSA-N 1 0 375.238 1.525 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000484113727 647912019 /nfs/dbraw/zinc/91/20/19/647912019.db2.gz JTERMLXCEBCOKU-WDEREUQCSA-N 1 0 379.258 1.355 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000484564734 647918977 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377.869 1.071 20 0 GDADRO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000488800063 647967183 /nfs/dbraw/zinc/96/71/83/647967183.db2.gz DODZTWMCFMGFOA-RYUDHWBXSA-N 1 0 384.274 1.207 20 0 GDADRO CC[NH+]1CCN(CC(=O)N(CCO)Cc2cccc(Br)c2)CC1 ZINC000489103801 647971711 /nfs/dbraw/zinc/97/17/11/647971711.db2.gz IFNZDYFYTMMIMR-UHFFFAOYSA-N 1 0 384.318 1.408 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000495146389 648010328 /nfs/dbraw/zinc/01/03/28/648010328.db2.gz KDYXHKJKBVTCNH-JTQLQIEISA-N 1 0 382.258 1.679 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000497351908 648025901 /nfs/dbraw/zinc/02/59/01/648025901.db2.gz DAWHAHPZYYTFNZ-CMPLNLGQSA-N 1 0 375.878 1.095 20 0 GDADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000498195015 648050270 /nfs/dbraw/zinc/05/02/70/648050270.db2.gz ICTZFDIRZFEDJP-LBPRGKRZSA-N 1 0 381.832 1.155 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000498204847 648050577 /nfs/dbraw/zinc/05/05/77/648050577.db2.gz LABQWLVZUQNQMR-FZMZJTMJSA-N 1 0 377.457 1.877 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000498209308 648051800 /nfs/dbraw/zinc/05/18/00/648051800.db2.gz YHIOWGBLLZQHRK-LLVKDONJSA-N 1 0 378.217 1.668 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000499603136 648085268 /nfs/dbraw/zinc/08/52/68/648085268.db2.gz CAIQMTKVNLFJAB-CYBMUJFWSA-N 1 0 391.921 1.958 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000502752671 648170324 /nfs/dbraw/zinc/17/03/24/648170324.db2.gz GVBMLLZTYNEBJT-OAHLLOKOSA-N 1 0 375.535 1.096 20 0 GDADRO CC[NH+](CC)CC1CCN(C(=O)NCCCN(C)S(=O)(=O)CC)CC1 ZINC000504554714 648206883 /nfs/dbraw/zinc/20/68/83/648206883.db2.gz MYWFTXFKDDIDGC-UHFFFAOYSA-N 1 0 376.567 1.421 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509951841 648307673 /nfs/dbraw/zinc/30/76/73/648307673.db2.gz ADCCNLKEEMCEQS-UHFFFAOYSA-N 1 0 399.296 1.373 20 0 GDADRO CCOC(=O)Cc1cccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000510034753 648313680 /nfs/dbraw/zinc/31/36/80/648313680.db2.gz MZIRFNMXDUAYCP-CVEARBPZSA-N 1 0 386.539 1.458 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000510752684 648340725 /nfs/dbraw/zinc/34/07/25/648340725.db2.gz XTTGEKIOOGSPDG-CHWSQXEVSA-N 1 0 381.420 1.973 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCOC[C@@H]1CC(F)F ZINC000511035937 648351479 /nfs/dbraw/zinc/35/14/79/648351479.db2.gz URZWJWVKTQCQNN-ZDUSSCGKSA-N 1 0 380.461 1.106 20 0 GDADRO C[C@H](CNC(=O)c1sccc1S(=O)(=O)NCc1cccs1)[NH+](C)C ZINC000511290060 648365621 /nfs/dbraw/zinc/36/56/21/648365621.db2.gz XNXNXHXSWBIKAK-LLVKDONJSA-N 1 0 387.552 1.968 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CCC[N@@H+](C)CC1 ZINC000511523569 648382290 /nfs/dbraw/zinc/38/22/90/648382290.db2.gz KOZYBTHKRGPMHI-UHFFFAOYSA-N 1 0 388.921 1.274 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CSC[C@@H]2C)cc1 ZINC000512180384 648398960 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20 0 GDADRO O=C(NCC1CC[NH2+]CC1)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000515140435 648481939 /nfs/dbraw/zinc/48/19/39/648481939.db2.gz YUQCCRDTLZGYSN-UHFFFAOYSA-N 1 0 398.305 1.802 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCc3nc4cc(Cl)ccc4s3)CCN2C1=O ZINC000515171485 648483650 /nfs/dbraw/zinc/48/36/50/648483650.db2.gz QDHDXLGNGYRGEO-VXGBXAGGSA-N 1 0 378.885 1.653 20 0 GDADRO C[C@H](C(=O)N[C@](C)(C[NH3+])C1CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000515346553 648491729 /nfs/dbraw/zinc/49/17/29/648491729.db2.gz ADZXIYLTIXSEHK-VVVCHXIZSA-N 1 0 394.269 1.677 20 0 GDADRO CO[C@H]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)[C@@H](C[NH3+])C1 ZINC000515416878 648495147 /nfs/dbraw/zinc/49/51/47/648495147.db2.gz PTDFSWHXIGBFFS-MNOVXSKESA-N 1 0 388.262 1.079 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000515619328 648502078 /nfs/dbraw/zinc/50/20/78/648502078.db2.gz UMLDXRYNHOZYTN-CYBMUJFWSA-N 1 0 387.315 1.489 20 0 GDADRO O=C(CNC(=O)C(=O)Nc1ccsc1Cl)NCC[NH+]1CCCCCC1 ZINC000516099525 648513103 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GDADRO C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000581133183 651961113 /nfs/dbraw/zinc/96/11/13/651961113.db2.gz UGBIOMLYINEDIJ-VHSXEESVSA-N 1 0 380.297 1.528 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000581245841 651966803 /nfs/dbraw/zinc/96/68/03/651966803.db2.gz QQWMZCUDADHPGK-ZDUSSCGKSA-N 1 0 393.285 1.807 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000581365512 651974176 /nfs/dbraw/zinc/97/41/76/651974176.db2.gz UZDMDGROAVJWTD-NEPJUHHUSA-N 1 0 385.313 1.651 20 0 GDADRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000582830306 652017700 /nfs/dbraw/zinc/01/77/00/652017700.db2.gz VMSGUYLBBHLVHY-AWEZNQCLSA-N 1 0 388.921 1.354 20 0 GDADRO CSc1ccc(OC[C@H](O)C[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1 ZINC000584464496 652071390 /nfs/dbraw/zinc/07/13/90/652071390.db2.gz QVXQYSDHVQAVCY-CYBMUJFWSA-N 1 0 376.544 1.456 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000584580904 652076646 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[NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2I)C1 ZINC000591292137 652158762 /nfs/dbraw/zinc/15/87/62/652158762.db2.gz VBUCIASUJPFUBV-SNVBAGLBSA-N 1 0 387.221 1.427 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591292350 652158824 /nfs/dbraw/zinc/15/88/24/652158824.db2.gz MRIQLTRFXJZTRI-VIFPVBQESA-N 1 0 388.251 1.977 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)ccc1Br ZINC000591292317 652158843 /nfs/dbraw/zinc/15/88/43/652158843.db2.gz JNQNDMMXMOFFBZ-LLVKDONJSA-N 1 0 398.257 1.433 20 0 GDADRO O=C(Nc1cccc(I)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000591303607 652160706 /nfs/dbraw/zinc/16/07/06/652160706.db2.gz TTZDNORKWXQBRK-BETUJISGSA-N 1 0 399.232 1.583 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000591309423 652161824 /nfs/dbraw/zinc/16/18/24/652161824.db2.gz JLUCVNWPPMDGGC-MFKMUULPSA-N 1 0 399.232 1.358 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000591560835 652163660 /nfs/dbraw/zinc/16/36/60/652163660.db2.gz HRICHHCJSLOQEX-UHFFFAOYSA-N 1 0 392.262 1.808 20 0 GDADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000592207206 652176926 /nfs/dbraw/zinc/17/69/26/652176926.db2.gz JEGHCNXXXBDIGJ-XBFCOCLRSA-N 1 0 388.258 1.045 20 0 GDADRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000592208321 652176947 /nfs/dbraw/zinc/17/69/47/652176947.db2.gz SOKRKWDRFUVVBY-GWCFXTLKSA-N 1 0 376.222 1.823 20 0 GDADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000592208001 652177088 /nfs/dbraw/zinc/17/70/88/652177088.db2.gz LZBMURFARRWSKE-RTXFEEFZSA-N 1 0 378.252 1.589 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)c(Br)c1 ZINC000592382386 652185757 /nfs/dbraw/zinc/18/57/57/652185757.db2.gz QGAGEZCPJSRVBZ-AOOOYVTPSA-N 1 0 377.260 1.394 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000592548617 652193637 /nfs/dbraw/zinc/19/36/37/652193637.db2.gz KQCVXRBOOOUWKL-SMDDNHRTSA-N 1 0 385.258 1.580 20 0 GDADRO 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O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ncc(I)s1 ZINC000603437450 652720841 /nfs/dbraw/zinc/72/08/41/652720841.db2.gz MGUVMQZOXZOFIF-SECBINFHSA-N 1 0 377.251 1.962 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604166806 652736031 /nfs/dbraw/zinc/73/60/31/652736031.db2.gz BUHXUNBQTUSXMN-ZDUSSCGKSA-N 1 0 386.905 1.154 20 0 GDADRO CC(C)[C@H](CNC(=O)NCc1n[nH]cc1Br)[NH+]1CCN(C)CC1 ZINC000606633531 652776312 /nfs/dbraw/zinc/77/63/12/652776312.db2.gz BZOAEPQEOPROOC-AWEZNQCLSA-N 1 0 387.326 1.243 20 0 GDADRO COc1cc(F)c(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(F)c1 ZINC000608031709 652811020 /nfs/dbraw/zinc/81/10/20/652811020.db2.gz DIFQECFQQYGYER-GFCCVEGCSA-N 1 0 377.457 1.135 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CCn3cc(Br)cn3)C2)CC1 ZINC000609310728 652840251 /nfs/dbraw/zinc/84/02/51/652840251.db2.gz HVULVPWQTPFHLD-HNNXBMFYSA-N 1 0 384.322 1.274 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(I)c[nH]2)C1 ZINC000609662815 652853944 /nfs/dbraw/zinc/85/39/44/652853944.db2.gz 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Cc1c(Br)cncc1C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000616094959 652967513 /nfs/dbraw/zinc/96/75/13/652967513.db2.gz UKRIAUKRXNZYTQ-CYBMUJFWSA-N 1 0 395.301 1.579 20 0 GDADRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)sc1S(N)(=O)=O ZINC000616996859 652971146 /nfs/dbraw/zinc/97/11/46/652971146.db2.gz PGDYWMNFJPFTPN-JTQLQIEISA-N 1 0 375.516 1.254 20 0 GDADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCCN(C)CCC[NH+](C)C ZINC000617764475 652976396 /nfs/dbraw/zinc/97/63/96/652976396.db2.gz ZDEJMEXENUMRIF-UHFFFAOYSA-N 1 0 383.846 1.863 20 0 GDADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620478184 652991451 /nfs/dbraw/zinc/99/14/51/652991451.db2.gz UEVNBYIILWXBPQ-ZDUSSCGKSA-N 1 0 393.285 1.997 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)c[nH]c1=O ZINC000621657229 652998432 /nfs/dbraw/zinc/99/84/32/652998432.db2.gz FWLSNERFWARJGS-SNVBAGLBSA-N 1 0 397.195 1.116 20 0 GDADRO CC[C@@H]1CN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC[C@H]1[NH3+] ZINC000621655888 652998442 /nfs/dbraw/zinc/99/84/42/652998442.db2.gz BSUSVVIVDCRODA-ZWNOBZJWSA-N 1 0 379.262 1.624 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621671344 652998791 /nfs/dbraw/zinc/99/87/91/652998791.db2.gz POZZLZRDDASDFO-NSHDSACASA-N 1 0 399.257 1.419 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(Br)c[nH]c3=O)CC2)c1 ZINC000621856823 652999431 /nfs/dbraw/zinc/99/94/31/652999431.db2.gz FVFYLVTVMULZHK-UHFFFAOYSA-N 1 0 393.241 1.916 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCc3cc(Br)ccc3C1)C2 ZINC000622029791 653000968 /nfs/dbraw/zinc/00/09/68/653000968.db2.gz LKSUHMXVUHBNGY-RDTXWAMCSA-N 1 0 392.297 1.674 20 0 GDADRO CC[NH+](CC)CCCNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623015731 653002867 /nfs/dbraw/zinc/00/28/67/653002867.db2.gz SUCSIQAVWOIZLA-UHFFFAOYSA-N 1 0 381.278 1.887 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623017249 653003009 /nfs/dbraw/zinc/00/30/09/653003009.db2.gz DWOJSRJVHJNANI-NSHDSACASA-N 1 0 379.262 1.496 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623017526 653003083 /nfs/dbraw/zinc/00/30/83/653003083.db2.gz YSMSXRBIAZFKHU-LBPRGKRZSA-N 1 0 393.289 1.885 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623021767 653003263 /nfs/dbraw/zinc/00/32/63/653003263.db2.gz BXGHPZXRYFYPHG-GHMZBOCLSA-N 1 0 379.262 1.589 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)CC[C@@H]1C(F)(F)F ZINC000624392356 653012100 /nfs/dbraw/zinc/01/21/00/653012100.db2.gz PLAFEZZQWZAIGD-FZMZJTMJSA-N 1 0 376.400 1.963 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccnc2OCC(F)F)C1 ZINC000625077820 653017055 /nfs/dbraw/zinc/01/70/55/653017055.db2.gz OLOSMNFBQWANIM-OLZOCXBDSA-N 1 0 375.441 1.830 20 0 GDADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000625084257 653017542 /nfs/dbraw/zinc/01/75/42/653017542.db2.gz ZROJXGCDVHDQGE-ZDUSSCGKSA-N 1 0 383.283 1.488 20 0 GDADRO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000625767479 653044611 /nfs/dbraw/zinc/04/46/11/653044611.db2.gz BOUNAMWRLPZORW-UHFFFAOYSA-N 1 0 375.441 1.114 20 0 GDADRO C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC1(C)COC1 ZINC000625789739 653045064 /nfs/dbraw/zinc/04/50/64/653045064.db2.gz UPESJSSICLKYIN-UHFFFAOYSA-N 1 0 384.274 1.472 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000626546346 653056853 /nfs/dbraw/zinc/05/68/53/653056853.db2.gz SPHQLUGZMBZJFE-LBPRGKRZSA-N 1 0 395.261 1.218 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000626572871 653057288 /nfs/dbraw/zinc/05/72/88/653057288.db2.gz BRBIPHYGKVWGBG-CQSZACIVSA-N 1 0 394.273 1.823 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000626882439 653062587 /nfs/dbraw/zinc/06/25/87/653062587.db2.gz LQWDTPJTCQTRCY-SNVBAGLBSA-N 1 0 393.241 1.040 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C[NH2+]1 ZINC000626890168 653063308 /nfs/dbraw/zinc/06/33/08/653063308.db2.gz GVQSINSYPHXSJB-SFYZADRCSA-N 1 0 376.201 1.923 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000626947015 653065432 /nfs/dbraw/zinc/06/54/32/653065432.db2.gz IVTZVJOQZRHJDM-CALCHBBNSA-N 1 0 385.917 1.755 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626959249 653065629 /nfs/dbraw/zinc/06/56/29/653065629.db2.gz AHXUOZLVWJBFCB-CYBMUJFWSA-N 1 0 399.289 1.374 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000626961532 653065642 /nfs/dbraw/zinc/06/56/42/653065642.db2.gz FWCZVCCFZJWXIM-UONOGXRCSA-N 1 0 383.290 1.619 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000627004977 653066386 /nfs/dbraw/zinc/06/63/86/653066386.db2.gz VXWHHSMZYYDNFH-VHSXEESVSA-N 1 0 380.923 1.120 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627010254 653066757 /nfs/dbraw/zinc/06/67/57/653066757.db2.gz XTYLNGKAUJMDBL-UGFHNGPFSA-N 1 0 386.290 1.813 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21)[NH+](C)C ZINC000627192758 653068396 /nfs/dbraw/zinc/06/83/96/653068396.db2.gz NGTCBSRGHUJJNH-LLVKDONJSA-N 1 0 380.286 1.894 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C[NH2+]1 ZINC000627316100 653071865 /nfs/dbraw/zinc/07/18/65/653071865.db2.gz ACXQBPXVXBZHMV-NOZJJQNGSA-N 1 0 388.693 1.975 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000627346390 653072956 /nfs/dbraw/zinc/07/29/56/653072956.db2.gz PEZWMWGYJORMIU-NSHDSACASA-N 1 0 376.284 1.393 20 0 GDADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627346587 653072983 /nfs/dbraw/zinc/07/29/83/653072983.db2.gz XFLKBROGGWGQKI-LLVKDONJSA-N 1 0 376.284 1.522 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627371749 653073910 /nfs/dbraw/zinc/07/39/10/653073910.db2.gz QGVINAZQBRKJAB-GFCCVEGCSA-N 1 0 386.283 1.317 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000627378007 653074127 /nfs/dbraw/zinc/07/41/27/653074127.db2.gz ZKLZZQVZOHKVGQ-IUCAKERBSA-N 1 0 377.329 1.819 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000627425751 653075231 /nfs/dbraw/zinc/07/52/31/653075231.db2.gz YXFUNYLJRFKQIR-OAHLLOKOSA-N 1 0 382.302 1.830 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627441308 653075633 /nfs/dbraw/zinc/07/56/33/653075633.db2.gz IGAQZSXTGXCNAE-CQSZACIVSA-N 1 0 380.286 1.808 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627648319 653077048 /nfs/dbraw/zinc/07/70/48/653077048.db2.gz GBCVGYWBRRHRGJ-QISWUMQESA-N 1 0 386.315 1.647 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(Br)cc3-n3cncn3)C[C@H]21 ZINC000627653588 653077286 /nfs/dbraw/zinc/07/72/86/653077286.db2.gz UHOUMJHVOWXACN-NHAGDIPZSA-N 1 0 376.258 1.662 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1Br ZINC000628123696 653090718 /nfs/dbraw/zinc/09/07/18/653090718.db2.gz AMBMYEDQAUZNNW-UHFFFAOYSA-N 1 0 384.274 1.795 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628966631 653128444 /nfs/dbraw/zinc/12/84/44/653128444.db2.gz GOVKHWXBRWCAMR-GFCCVEGCSA-N 1 0 391.946 1.813 20 0 GDADRO COc1cc(Br)c(Cl)cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629166327 653134929 /nfs/dbraw/zinc/13/49/29/653134929.db2.gz ILKLFHZHFFHLRD-SECBINFHSA-N 1 0 377.666 1.908 20 0 GDADRO O=C(CSc1nncn1-c1cccc(Cl)c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629177583 653135889 /nfs/dbraw/zinc/13/58/89/653135889.db2.gz JDFCXMFFMVOYFK-CQSZACIVSA-N 1 0 381.889 1.196 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000629353752 653160822 /nfs/dbraw/zinc/16/08/22/653160822.db2.gz QFTAAROFRZFKIO-HBYGRHMLSA-N 1 0 389.315 1.947 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC000629353382 653160873 /nfs/dbraw/zinc/16/08/73/653160873.db2.gz COLHMJOSOAKHKB-WDNDVIMCSA-N 1 0 375.288 1.638 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000629544485 653171468 /nfs/dbraw/zinc/17/14/68/653171468.db2.gz NFZZGHJEUQSSTI-UHFFFAOYSA-N 1 0 391.269 1.713 20 0 GDADRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000629790889 653182572 /nfs/dbraw/zinc/18/25/72/653182572.db2.gz MELHYZYVPSVQSN-OAHLLOKOSA-N 1 0 398.301 1.546 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000629912603 653192502 /nfs/dbraw/zinc/19/25/02/653192502.db2.gz JRJDMGDPTJSUNT-INIZCTEOSA-N 1 0 397.313 1.680 20 0 GDADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629912507 653192578 /nfs/dbraw/zinc/19/25/78/653192578.db2.gz UAIRNMTXIMVENT-AWEZNQCLSA-N 1 0 399.289 1.144 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000629914286 653192966 /nfs/dbraw/zinc/19/29/66/653192966.db2.gz MVIAAVPBRSBULL-JTQLQIEISA-N 1 0 380.242 1.499 20 0 GDADRO C[NH2+]C1(CNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CCC1 ZINC000629998612 653195474 /nfs/dbraw/zinc/19/54/74/653195474.db2.gz FHZGOLXNBOGOPP-UHFFFAOYSA-N 1 0 379.404 1.242 20 0 GDADRO C[NH2+]C1(CNC(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CCC1 ZINC000630002354 653195909 /nfs/dbraw/zinc/19/59/09/653195909.db2.gz WCMOCZMQBNNFJI-JTQLQIEISA-N 1 0 394.269 1.692 20 0 GDADRO COCCOC1(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCOCC1 ZINC000631149344 653229964 /nfs/dbraw/zinc/22/99/64/653229964.db2.gz QLGJMHPWBNHXSS-UHFFFAOYSA-N 1 0 392.905 1.289 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccc(Br)cn3)C2)CC1 ZINC000631259588 653232880 /nfs/dbraw/zinc/23/28/80/653232880.db2.gz WRKWVGGFZZLQML-AWEZNQCLSA-N 1 0 397.317 1.508 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)c2c(F)cncc2Br)CC1 ZINC000631282910 653233573 /nfs/dbraw/zinc/23/35/73/653233573.db2.gz BJCMEEYAPJMYBM-UHFFFAOYSA-N 1 0 387.297 1.987 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000631803341 653255645 /nfs/dbraw/zinc/25/56/45/653255645.db2.gz TZMREMPVLWBKPI-UHFFFAOYSA-N 1 0 386.290 1.823 20 0 GDADRO C[C@@H]1CN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@H]1C[NH3+] ZINC000631839580 653258305 /nfs/dbraw/zinc/25/83/05/653258305.db2.gz IAVNZATWTQPMDZ-CHWSQXEVSA-N 1 0 386.327 1.564 20 0 GDADRO CCN1C[C@H](S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1=O ZINC000631847420 653259773 /nfs/dbraw/zinc/25/97/73/653259773.db2.gz UUEFXWOUNUOBCD-GDBMZVCRSA-N 1 0 385.555 1.500 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)C[C@@H]2CCC2(F)F)CC1 ZINC000631859785 653261363 /nfs/dbraw/zinc/26/13/63/653261363.db2.gz QTNMZPQVDXDQHP-XHSDSOJGSA-N 1 0 379.517 1.852 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000631858296 653261389 /nfs/dbraw/zinc/26/13/89/653261389.db2.gz WDCKHTFYAFSSCD-JSGCOSHPSA-N 1 0 397.317 1.576 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000631906210 653265827 /nfs/dbraw/zinc/26/58/27/653265827.db2.gz GWORIBZQYQXHQW-UHFFFAOYSA-N 1 0 388.291 1.173 20 0 GDADRO COc1cc(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)ccc1OC(F)F ZINC000631909741 653267119 /nfs/dbraw/zinc/26/71/19/653267119.db2.gz NZGNMPHSFOLDEB-UHFFFAOYSA-N 1 0 379.429 1.315 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000631917865 653270231 /nfs/dbraw/zinc/27/02/31/653270231.db2.gz QBOBGJKORUHIPM-CQSZACIVSA-N 1 0 388.917 1.296 20 0 GDADRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631920620 653271398 /nfs/dbraw/zinc/27/13/98/653271398.db2.gz CULUVMXEJJKWIX-MLGOLLRUSA-N 1 0 375.922 1.934 20 0 GDADRO C[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631924303 653271712 /nfs/dbraw/zinc/27/17/12/653271712.db2.gz RNLWHYOSLMBDEO-PBHICJAKSA-N 1 0 387.933 1.337 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000631928099 653272924 /nfs/dbraw/zinc/27/29/24/653272924.db2.gz QGKWXHLMLOOCEM-UONOGXRCSA-N 1 0 385.555 1.520 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000631928950 653273232 /nfs/dbraw/zinc/27/32/32/653273232.db2.gz RORVZMDIIMUDIJ-GFCCVEGCSA-N 1 0 390.912 1.576 20 0 GDADRO O=S(=O)(c1csnc1-c1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000631937849 653274980 /nfs/dbraw/zinc/27/49/80/653274980.db2.gz MXUDBLUOHWPUKK-OAHLLOKOSA-N 1 0 378.523 1.478 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000631941488 653275495 /nfs/dbraw/zinc/27/54/95/653275495.db2.gz YLYMKVSOLYPZKL-UHFFFAOYSA-N 1 0 388.291 1.302 20 0 GDADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000631943704 653275863 /nfs/dbraw/zinc/27/58/63/653275863.db2.gz CXROCZJOFQQRLO-SECBINFHSA-N 1 0 383.695 1.678 20 0 GDADRO Cn1nc2c(c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)CCCC2 ZINC000631954231 653278631 /nfs/dbraw/zinc/27/86/31/653278631.db2.gz FSBXYRUVUGGTQA-JQWIXIFHSA-N 1 0 380.436 1.447 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631966775 653280474 /nfs/dbraw/zinc/28/04/74/653280474.db2.gz XKKCYSBGEWUECF-RKDXNWHRSA-N 1 0 381.267 1.812 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000631968291 653281286 /nfs/dbraw/zinc/28/12/86/653281286.db2.gz DFNDMVVYYMWWHF-UHFFFAOYSA-N 1 0 375.432 1.320 20 0 GDADRO CCO[C@@H]1C[C@@H](NS(=O)(=O)CCCN2CC[NH+](C)CC2)C1(CC)CC ZINC000632073445 653300923 /nfs/dbraw/zinc/30/09/23/653300923.db2.gz YTXSHZQGUFFRIS-IAGOWNOFSA-N 1 0 375.579 1.527 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CCOC(C)(C)C)CC2)CC1 ZINC000632125158 653309637 /nfs/dbraw/zinc/30/96/37/653309637.db2.gz APIDIFYCGKAALH-UHFFFAOYSA-N 1 0 375.579 1.622 20 0 GDADRO C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)[C@@H]1OCCc2sccc21 ZINC000632362381 653345510 /nfs/dbraw/zinc/34/55/10/653345510.db2.gz DQLPXRGWCNCPQE-PBHICJAKSA-N 1 0 387.571 1.307 20 0 GDADRO CN1CC[C@@H](N2CCC(NS(=O)(=O)c3cc(F)ccc3Cl)CC2)C1=O ZINC000632490837 653362491 /nfs/dbraw/zinc/36/24/91/653362491.db2.gz RUCVLORQPZVSSN-CQSZACIVSA-N 1 0 389.880 1.453 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CCO1 ZINC000632575786 653378128 /nfs/dbraw/zinc/37/81/28/653378128.db2.gz AOYWPIRTYOHYFU-GFCCVEGCSA-N 1 0 385.511 1.733 20 0 GDADRO CN1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)c2ccc(Cl)cc21 ZINC000632601695 653383010 /nfs/dbraw/zinc/38/30/10/653383010.db2.gz MCZKXCIRUWTYNW-UHFFFAOYSA-N 1 0 386.949 1.564 20 0 GDADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000632639453 653390137 /nfs/dbraw/zinc/39/01/37/653390137.db2.gz AIXSTPOMOXDVIA-UHFFFAOYSA-N 1 0 386.539 1.729 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633025748 653421180 /nfs/dbraw/zinc/42/11/80/653421180.db2.gz SMRWELNWNBAXSM-GHMZBOCLSA-N 1 0 384.274 1.840 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633032254 653422502 /nfs/dbraw/zinc/42/25/02/653422502.db2.gz FLPUIVLBVWIMNV-TXEJJXNPSA-N 1 0 382.258 1.667 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000633040617 653423425 /nfs/dbraw/zinc/42/34/25/653423425.db2.gz YGWSUPALFGSJMS-CMPLNLGQSA-N 1 0 392.257 1.521 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000633040061 653423460 /nfs/dbraw/zinc/42/34/60/653423460.db2.gz WAZBELCWYFAJCO-CMPLNLGQSA-N 1 0 392.257 1.521 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000633039506 653423468 /nfs/dbraw/zinc/42/34/68/653423468.db2.gz LEHLPMGMZRWHIV-ZYHUDNBSSA-N 1 0 383.290 1.397 20 0 GDADRO O=C(c1cc(Br)c2nccn2c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000633069102 653425557 /nfs/dbraw/zinc/42/55/57/653425557.db2.gz GRKYPDDLJJDDHL-STQMWFEESA-N 1 0 379.258 1.378 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N1CC[C@H](C[NH3+])C1)C2 ZINC000633114291 653428870 /nfs/dbraw/zinc/42/88/70/653428870.db2.gz XBVUTBDSAFIRSL-GFCCVEGCSA-N 1 0 380.286 1.449 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1CCCNC1=O ZINC000633492192 653452878 /nfs/dbraw/zinc/45/28/78/653452878.db2.gz IKHYLLCVENPSHH-ZDUSSCGKSA-N 1 0 397.317 1.912 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)c1cccc(C(F)(F)F)c1 ZINC000633766051 653469073 /nfs/dbraw/zinc/46/90/73/653469073.db2.gz LELGEVYCXWYFED-STQMWFEESA-N 1 0 379.404 1.116 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000634764144 653498508 /nfs/dbraw/zinc/49/85/08/653498508.db2.gz MFXWYHJYDKLACR-CYBMUJFWSA-N 1 0 387.933 1.903 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2cscc2Cl)CC1 ZINC000635042576 653504985 /nfs/dbraw/zinc/50/49/85/653504985.db2.gz KZKICGXCJRNILO-UHFFFAOYSA-N 1 0 386.905 1.256 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)C1CCCCC1 ZINC000635284683 653512583 /nfs/dbraw/zinc/51/25/83/653512583.db2.gz ZHPACBBHCCAQFN-BFHYXJOUSA-N 1 0 384.464 1.836 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000637426155 653528555 /nfs/dbraw/zinc/52/85/55/653528555.db2.gz XXDVZSHGTFBRLG-UHFFFAOYSA-N 1 0 392.244 1.983 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)N1C[C@H](O)C[C@H]1CO)c1ccc(Cl)c(Cl)c1 ZINC000637475201 653529509 /nfs/dbraw/zinc/52/95/09/653529509.db2.gz UIGAEAZEKWZNOW-YWPYICTPSA-N 1 0 376.284 1.733 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)N1CCOC[C@@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637473645 653529512 /nfs/dbraw/zinc/52/95/12/653529512.db2.gz MUKHFQSGDVOXRM-SWLSCSKDSA-N 1 0 376.284 1.999 20 0 GDADRO NS(=O)(=O)c1ccc(CN2CCC(C[NH+]3CCOCC3)CC2)cc1Cl ZINC000637904217 653531840 /nfs/dbraw/zinc/53/18/40/653531840.db2.gz CMCSMTVWUHPDES-UHFFFAOYSA-N 1 0 387.933 1.532 20 0 GDADRO CN(Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000637929902 653532226 /nfs/dbraw/zinc/53/22/26/653532226.db2.gz ITWHSCHWAPHBHM-ZDUSSCGKSA-N 1 0 390.347 1.870 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000637921480 653532320 /nfs/dbraw/zinc/53/23/20/653532320.db2.gz DBQPZCVKHFEYTG-OLZOCXBDSA-N 1 0 379.404 1.245 20 0 GDADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC(=O)Nc2cc(Br)ccc2C)C1 ZINC000637967674 653533518 /nfs/dbraw/zinc/53/35/18/653533518.db2.gz VIGBRPJRGDGTSI-MLGOLLRUSA-N 1 0 384.274 1.579 20 0 GDADRO COC[C@@]1(C(=O)NCC(=O)Nc2cc(Br)ccc2C)CCCC[NH2+]1 ZINC000637967463 653533534 /nfs/dbraw/zinc/53/35/34/653533534.db2.gz RSEPDEBGRGEACY-QGZVFWFLSA-N 1 0 398.301 1.971 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)c3nccn3c2)CC12CCOCC2 ZINC000638262968 653537272 /nfs/dbraw/zinc/53/72/72/653537272.db2.gz SCWFUQLUAMSNMC-CYBMUJFWSA-N 1 0 393.285 1.924 20 0 GDADRO CS(=O)(=O)N1CC[C@H](CNC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000638313468 653538047 /nfs/dbraw/zinc/53/80/47/653538047.db2.gz WVLRQZKKUJZEMQ-ZWNOBZJWSA-N 1 0 379.404 1.103 20 0 GDADRO C[C@@]1(C(=O)NCc2noc(-c3cccc(Br)c3)n2)C[NH2+]CCO1 ZINC000638323941 653538322 /nfs/dbraw/zinc/53/83/22/653538322.db2.gz LYSPSQOTIHPGPC-HNNXBMFYSA-N 1 0 381.230 1.494 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(N3CCSCC3)CCCC2)s1 ZINC000638359138 653538838 /nfs/dbraw/zinc/53/88/38/653538838.db2.gz GZIOMQNOZLPSKL-UHFFFAOYSA-N 1 0 375.585 1.847 20 0 GDADRO [NH3+]C1(CNC(=O)Cc2cc3c(cc2Br)OCCO3)CCOCC1 ZINC000638542113 653539381 /nfs/dbraw/zinc/53/93/81/653539381.db2.gz ZNQMIDLGRCCPPC-UHFFFAOYSA-N 1 0 385.258 1.387 20 0 GDADRO COc1nsc(CNC[C@@H](C)C[NH+]2CCN(C)CC2)c1Br ZINC000638548382 653539393 /nfs/dbraw/zinc/53/93/93/653539393.db2.gz BMWHJXDXHVZZPF-LLVKDONJSA-N 1 0 377.352 1.887 20 0 GDADRO NC(=O)CSc1ccccc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638553492 653539697 /nfs/dbraw/zinc/53/96/97/653539697.db2.gz VLFBJPHJZNTKCL-JQWIXIFHSA-N 1 0 375.416 1.863 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000638581667 653540747 /nfs/dbraw/zinc/54/07/47/653540747.db2.gz MMGIMSUIYJJTGJ-HNNXBMFYSA-N 1 0 388.295 1.950 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638597392 653541627 /nfs/dbraw/zinc/54/16/27/653541627.db2.gz YDKWZBFQZYPEKU-MCIONIFRSA-N 1 0 382.258 1.034 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)CCN2C(=O)COc3cc(Br)ccc32)C[NH2+]1 ZINC000638646421 653541703 /nfs/dbraw/zinc/54/17/03/653541703.db2.gz CWZGFOJBEUCIJB-AAEUAGOBSA-N 1 0 396.285 1.821 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C[NH2+]1 ZINC000638649905 653541788 /nfs/dbraw/zinc/54/17/88/653541788.db2.gz SKLIHDPHVWKQNS-JQWIXIFHSA-N 1 0 382.258 1.431 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C[NH2+]1 ZINC000638654772 653542226 /nfs/dbraw/zinc/54/22/26/653542226.db2.gz GLKHSBFTIRPSCG-ZYHUDNBSSA-N 1 0 394.269 1.692 20 0 GDADRO [NH3+][C@H]1CCCCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 ZINC000638823420 653544196 /nfs/dbraw/zinc/54/41/96/653544196.db2.gz LYDGJIONYZQJJB-AWEZNQCLSA-N 1 0 385.555 1.805 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C2 ZINC000638824925 653544209 /nfs/dbraw/zinc/54/42/09/653544209.db2.gz KDTZCBGWPCAAMX-MRXNPFEDSA-N 1 0 394.313 1.901 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639059102 653545276 /nfs/dbraw/zinc/54/52/76/653545276.db2.gz YKQVCNCWFQMCEW-WDEREUQCSA-N 1 0 376.320 1.621 20 0 GDADRO CO[C@@H](C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl)[C@@H]1CCOC1 ZINC000639132490 653547062 /nfs/dbraw/zinc/54/70/62/653547062.db2.gz OYUHYNQISYRNOO-HIFRSBDPSA-N 1 0 376.906 1.650 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccccn1 ZINC000639172541 653547868 /nfs/dbraw/zinc/54/78/68/653547868.db2.gz QKEOLTMKWLVWIN-UHFFFAOYSA-N 1 0 382.917 1.946 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ncc(Br)cc1Cl ZINC000639316357 653549804 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CN(CCC[NH3+])Cc1cn(C[C@@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000641205345 653563090 /nfs/dbraw/zinc/56/30/90/653563090.db2.gz UHRGDJCKKWPYAQ-CYBMUJFWSA-N 1 0 388.299 1.805 20 0 GDADRO C[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000641477972 653568464 /nfs/dbraw/zinc/56/84/64/653568464.db2.gz URDJHMNEHVXZCL-JTQLQIEISA-N 1 0 395.312 1.357 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000641494735 653569650 /nfs/dbraw/zinc/56/96/50/653569650.db2.gz YJFBHSZFTYSLIC-LLVKDONJSA-N 1 0 389.283 1.573 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ncnc(C(F)(F)F)c1Br ZINC000641646136 653573910 /nfs/dbraw/zinc/57/39/10/653573910.db2.gz PHWRNSVLFHPSHO-QMMMGPOBSA-N 1 0 396.211 1.814 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(Br)cn1 ZINC000641666613 653574896 /nfs/dbraw/zinc/57/48/96/653574896.db2.gz HBMMGDLDDKLNSG-OAHLLOKOSA-N 1 0 397.317 1.371 20 0 GDADRO C[NH+](C)CCNC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000641921981 653576018 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CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643475561 653583042 /nfs/dbraw/zinc/58/30/42/653583042.db2.gz NLJPPBAHHIGXMF-HIFRSBDPSA-N 1 0 380.286 1.618 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643491142 653583130 /nfs/dbraw/zinc/58/31/30/653583130.db2.gz IITLIBCUGCCIMQ-OAHLLOKOSA-N 1 0 386.315 1.681 20 0 GDADRO C[C@@H]1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000643604080 653583725 /nfs/dbraw/zinc/58/37/25/653583725.db2.gz CVNPNFMZAVFSPL-VXGBXAGGSA-N 1 0 389.315 1.666 20 0 GDADRO NS(=O)(=O)c1cc(CN2CCN(CC[NH+]3CCCC3)CC2)ccc1Cl ZINC000643885508 653591995 /nfs/dbraw/zinc/59/19/95/653591995.db2.gz FJDGZIXFWRUKDZ-UHFFFAOYSA-N 1 0 386.949 1.201 20 0 GDADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1(C)C ZINC000643891781 653592128 /nfs/dbraw/zinc/59/21/28/653592128.db2.gz JUZDNDNGMQYMGS-GDBMZVCRSA-N 1 0 376.906 1.643 20 0 GDADRO O=C(CCCS(=O)(=O)c1cccc(Br)c1)NCC1C[NH2+]C1 ZINC000644104916 653595592 /nfs/dbraw/zinc/59/55/92/653595592.db2.gz IEYUJOLYNFSTGI-UHFFFAOYSA-N 1 0 375.288 1.339 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644153553 653596079 /nfs/dbraw/zinc/59/60/79/653596079.db2.gz QYOXUMPECLLDDB-GXFFZTMASA-N 1 0 375.778 1.945 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000644537149 653599189 /nfs/dbraw/zinc/59/91/89/653599189.db2.gz NZSSPNAVGWASBD-CYBMUJFWSA-N 1 0 397.324 1.748 20 0 GDADRO O=S(=O)(CC[NH2+]CCOC[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000644558086 653599296 /nfs/dbraw/zinc/59/92/96/653599296.db2.gz QHEJALVUPUXIMY-CYBMUJFWSA-N 1 0 392.315 1.866 20 0 GDADRO O=C(CC[NH2+]CCC1CS(=O)(=O)C1)Nc1ccc(Br)cc1 ZINC000644630004 653599733 /nfs/dbraw/zinc/59/97/33/653599733.db2.gz DBCPYENBXCFNPF-UHFFFAOYSA-N 1 0 375.288 1.802 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC1=CCOCC1 ZINC000644657767 653599960 /nfs/dbraw/zinc/59/99/60/653599960.db2.gz ZMQTVIMFSGAGHE-UHFFFAOYSA-N 1 0 387.523 1.580 20 0 GDADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)sc2C1 ZINC000644809794 653600546 /nfs/dbraw/zinc/60/05/46/653600546.db2.gz RVDLJDKEJZNTRF-GFCCVEGCSA-N 1 0 386.543 1.662 20 0 GDADRO C[C@@H]([NH3+])CC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000645194630 653601869 /nfs/dbraw/zinc/60/18/69/653601869.db2.gz QVFSZCWXTXROJT-LLVKDONJSA-N 1 0 390.303 1.019 20 0 GDADRO C[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@H]1C ZINC000645216261 653601940 /nfs/dbraw/zinc/60/19/40/653601940.db2.gz PLJHSQUTITUSEE-RYUDHWBXSA-N 1 0 391.946 1.575 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000645614860 653604679 /nfs/dbraw/zinc/60/46/79/653604679.db2.gz JXJMNAIJLUMQQF-YGRLFVJLSA-N 1 0 382.258 1.559 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000645624143 653604942 /nfs/dbraw/zinc/60/49/42/653604942.db2.gz WZNUBRGQDRUSHX-BXUZGUMPSA-N 1 0 396.285 1.949 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000645834500 653607203 /nfs/dbraw/zinc/60/72/03/653607203.db2.gz QAXOILMJDCAHDA-JTQLQIEISA-N 1 0 380.297 1.734 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccccc1OC(F)F)CCO2 ZINC000645856335 653607575 /nfs/dbraw/zinc/60/75/75/653607575.db2.gz YSCGGPZHLJODSV-UHFFFAOYSA-N 1 0 376.425 1.773 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCCc1cccc(Br)c1 ZINC000645955676 653608105 /nfs/dbraw/zinc/60/81/05/653608105.db2.gz KARHIGDSSOJLAO-OAHLLOKOSA-N 1 0 382.302 1.756 20 0 GDADRO O=C(COc1ccc(F)cc1Br)N[C@H](CO)C[NH+]1CCCC1 ZINC000646223776 653609237 /nfs/dbraw/zinc/60/92/37/653609237.db2.gz KQTYEZTWTKNQEX-LBPRGKRZSA-N 1 0 375.238 1.540 20 0 GDADRO O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646340365 653609634 /nfs/dbraw/zinc/60/96/34/653609634.db2.gz DZXOQJJPADTJLV-KFWWJZLASA-N 1 0 383.539 1.502 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646349116 653609751 /nfs/dbraw/zinc/60/97/51/653609751.db2.gz SWUJSPJTNXVHCR-ZDUSSCGKSA-N 1 0 392.301 1.456 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646376064 653610021 /nfs/dbraw/zinc/61/00/21/653610021.db2.gz JQLCWSYBWJIZLB-ZIAGYGMSSA-N 1 0 382.302 1.849 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000646440119 653610271 /nfs/dbraw/zinc/61/02/71/653610271.db2.gz PLBIHASQBOMHON-UONOGXRCSA-N 1 0 394.273 1.427 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000646484222 653610466 /nfs/dbraw/zinc/61/04/66/653610466.db2.gz OGMIKYFNYIVIIY-XHDPSFHLSA-N 1 0 375.441 1.184 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)C[C@H]3CC[NH2+]C3)C2=O)ccc1Br ZINC000646516974 653610591 /nfs/dbraw/zinc/61/05/91/653610591.db2.gz UNQFFIRVONCTFB-DOMZBBRYSA-N 1 0 380.286 1.979 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CCO1 ZINC000646851556 653615048 /nfs/dbraw/zinc/61/50/48/653615048.db2.gz XEBQCCBMGQLMKO-ZYHUDNBSSA-N 1 0 380.495 1.574 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ncc(Br)cc2Br)CCO1 ZINC000646853544 653615075 /nfs/dbraw/zinc/61/50/75/653615075.db2.gz HZHZWWPZQFSWAR-XVKPBYJWSA-N 1 0 393.079 1.795 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)C(=O)Nc1cncc(Br)c1)CCO2 ZINC000646888599 653615593 /nfs/dbraw/zinc/61/55/93/653615593.db2.gz UIKLPPPTYZDMCB-UHFFFAOYSA-N 1 0 397.273 1.106 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000646911871 653616434 /nfs/dbraw/zinc/61/64/34/653616434.db2.gz INTIJEBGSGPFDO-KBPBESRZSA-N 1 0 383.539 1.699 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000646985057 653618655 /nfs/dbraw/zinc/61/86/55/653618655.db2.gz KPJKNTXCKQKBOY-PWSUYJOCSA-N 1 0 394.269 1.692 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(C)([NH3+])CC3)C2)s1 ZINC000646995279 653618877 /nfs/dbraw/zinc/61/88/77/653618877.db2.gz OTDRDDBXDYFRNR-AWEZNQCLSA-N 1 0 385.555 1.797 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000647070186 653619929 /nfs/dbraw/zinc/61/99/29/653619929.db2.gz CNPLUJMQWOPMQR-AWEZNQCLSA-N 1 0 381.523 1.736 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C(F)F ZINC000647071088 653619937 /nfs/dbraw/zinc/61/99/37/653619937.db2.gz SBIJFMYKWVWBTR-GXSJLCMTSA-N 1 0 390.228 1.901 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc(S(=O)(=O)N(C)C)c1C ZINC000647075545 653620159 /nfs/dbraw/zinc/62/01/59/653620159.db2.gz OUIMOUZVNDGHCA-CQSZACIVSA-N 1 0 375.441 1.281 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000647155343 653622491 /nfs/dbraw/zinc/62/24/91/653622491.db2.gz XNRHUYRFFDLLRT-CYBMUJFWSA-N 1 0 386.861 1.739 20 0 GDADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)cc1Cl ZINC000647205856 653623224 /nfs/dbraw/zinc/62/32/24/653623224.db2.gz WDIRDPPLMSIICX-SNVBAGLBSA-N 1 0 383.297 1.988 20 0 GDADRO [NH3+]C[C@H]1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000647205777 653623234 /nfs/dbraw/zinc/62/32/34/653623234.db2.gz SBSRLFHLFUUDFW-CJNGLKHVSA-N 1 0 385.917 1.555 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000647234723 653623925 /nfs/dbraw/zinc/62/39/25/653623925.db2.gz YVKXSGCWDBYDBY-GZMMTYOYSA-N 1 0 383.695 1.839 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647263830 653624560 /nfs/dbraw/zinc/62/45/60/653624560.db2.gz DPYOCCWTKSOEJF-RISCZKNCSA-N 1 0 392.930 1.257 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000647254674 653624584 /nfs/dbraw/zinc/62/45/84/653624584.db2.gz JEYLZPWKHGYWCZ-UHFFFAOYSA-N 1 0 375.878 1.809 20 0 GDADRO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000647679174 653632749 /nfs/dbraw/zinc/63/27/49/653632749.db2.gz RKNVZCOKMFMSHE-AWEZNQCLSA-N 1 0 391.313 1.979 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000647761706 653633550 /nfs/dbraw/zinc/63/35/50/653633550.db2.gz PAJYUWVIAXPCSW-UHFFFAOYSA-N 1 0 392.319 1.232 20 0 GDADRO COc1cc(C(=O)N(C)CCN2CC[NH2+]CC2)cc(Br)c1OC ZINC000647778444 653634328 /nfs/dbraw/zinc/63/43/28/653634328.db2.gz FZUDGQYCJSWTFK-UHFFFAOYSA-N 1 0 386.290 1.444 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000647833421 653635667 /nfs/dbraw/zinc/63/56/67/653635667.db2.gz NFWPDNKXZRHHFM-IINYFYTJSA-N 1 0 394.269 1.596 20 0 GDADRO CC(C)([NH3+])c1noc(CN2CCNC(=O)[C@@H]2c2cccc(Br)c2)n1 ZINC000647990020 653637096 /nfs/dbraw/zinc/63/70/96/653637096.db2.gz RHEHTKAUDUBIGM-ZDUSSCGKSA-N 1 0 394.273 1.699 20 0 GDADRO C[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000648058156 653637879 /nfs/dbraw/zinc/63/78/79/653637879.db2.gz URNPONUPNIWHLA-BXUZGUMPSA-N 1 0 375.441 1.359 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2c(F)cc(Br)cc2C1 ZINC000648102163 653638518 /nfs/dbraw/zinc/63/85/18/653638518.db2.gz ZCVLGPFYKIHMDN-AWEZNQCLSA-N 1 0 384.249 1.341 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000648122074 653639161 /nfs/dbraw/zinc/63/91/61/653639161.db2.gz IWKTVYAEAJOLDJ-UWVGGRQHSA-N 1 0 380.297 1.658 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000648122073 653639179 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Cc1c(Br)ccnc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650233807 653688713 /nfs/dbraw/zinc/68/87/13/653688713.db2.gz BENKGHBHGKIRSJ-UHFFFAOYSA-N 1 0 384.278 1.390 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)C1 ZINC000651607008 653838529 /nfs/dbraw/zinc/83/85/29/653838529.db2.gz AFMDJPIBPBKHRJ-SUMWQHHRSA-N 1 0 384.523 1.220 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@H+](C)CC(C)C)cc1C ZINC000651769202 653854686 /nfs/dbraw/zinc/85/46/86/653854686.db2.gz VZUDKWIZMQCCSU-UHFFFAOYSA-N 1 0 391.559 1.159 20 0 GDADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000651768789 653854773 /nfs/dbraw/zinc/85/47/73/653854773.db2.gz CIPYSPSIOMDDMG-UHFFFAOYSA-N 1 0 395.522 1.453 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1=O ZINC000651793521 653856690 /nfs/dbraw/zinc/85/66/90/653856690.db2.gz WOHZIYICBIQZKJ-UHFFFAOYSA-N 1 0 398.287 1.527 20 0 GDADRO O[C@@H]1CC[N@@H+](C2CN(Cc3c(Br)cncc3Br)C2)C1 ZINC000651977424 653875158 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Cc1ccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c(-n2cc(Cl)cn2)n1 ZINC000655926575 653994483 /nfs/dbraw/zinc/99/44/83/653994483.db2.gz FCPDICHNMMBMPH-LLVKDONJSA-N 1 0 376.770 1.918 20 0 GDADRO NC(=O)[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000655929886 653994772 /nfs/dbraw/zinc/99/47/72/653994772.db2.gz XOQPEVCHRYOFLX-RKDXNWHRSA-N 1 0 383.168 1.164 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1F ZINC000655957410 653996189 /nfs/dbraw/zinc/99/61/89/653996189.db2.gz YBWPDCNOOYHKOZ-QMMMGPOBSA-N 1 0 386.143 1.841 20 0 GDADRO CCC[C@H]1CCc2nc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)sc2C1 ZINC000655957278 653996210 /nfs/dbraw/zinc/99/62/10/653996210.db2.gz UJPPMONNUZCOGV-GZMMTYOYSA-N 1 0 378.420 1.992 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000656023600 654000155 /nfs/dbraw/zinc/00/01/55/654000155.db2.gz DQJSQPSDXIMSJN-NHYWBVRUSA-N 1 0 382.302 1.960 20 0 GDADRO CS(=O)(=O)CC1(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000656677836 654046608 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XYBHVQZLVRVCFV-ZWKOTPCHSA-N 1 0 376.563 1.956 20 0 GDADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000657023202 654100853 /nfs/dbraw/zinc/10/08/53/654100853.db2.gz SBOGGYFWOFXYFA-QWHCGFSZSA-N 1 0 393.278 1.169 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)c(OC)c1 ZINC000657091456 654108163 /nfs/dbraw/zinc/10/81/63/654108163.db2.gz NVOFSCBKTHKWAE-GFCCVEGCSA-N 1 0 393.531 1.075 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000657092925 654109413 /nfs/dbraw/zinc/10/94/13/654109413.db2.gz UNSHTKJDJKXTHK-SNVBAGLBSA-N 1 0 377.894 1.926 20 0 GDADRO COCc1csc(CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)c1 ZINC000657151340 654132453 /nfs/dbraw/zinc/13/24/53/654132453.db2.gz UYRYXARSBISDMY-UHFFFAOYSA-N 1 0 386.543 1.748 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657750865 654161245 /nfs/dbraw/zinc/16/12/45/654161245.db2.gz DPDXEYJYQURTOC-AWEZNQCLSA-N 1 0 394.216 1.095 20 0 GDADRO C[C@@H](Cn1cncn1)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000657890904 654168474 /nfs/dbraw/zinc/16/84/74/654168474.db2.gz FRWNRHSQZBGLBV-AWEZNQCLSA-N 1 0 383.543 1.735 20 0 GDADRO COc1ncc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)c(C)c1Br ZINC000657967604 654173560 /nfs/dbraw/zinc/17/35/60/654173560.db2.gz SMNJKYUJOOKOGZ-SECBINFHSA-N 1 0 387.278 1.414 20 0 GDADRO COC[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)C1CCOCC1 ZINC000658091124 654181604 /nfs/dbraw/zinc/18/16/04/654181604.db2.gz AIAKLXNCUYSSFP-OAHLLOKOSA-N 1 0 386.290 1.605 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)Cc3cc(F)ccc3Cl)C2)nn1 ZINC000658382367 654188000 /nfs/dbraw/zinc/18/80/00/654188000.db2.gz DURKXPISCSKBQF-CQSZACIVSA-N 1 0 387.868 1.696 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1F ZINC000658395571 654189225 /nfs/dbraw/zinc/18/92/25/654189225.db2.gz CUKSPPBJBJCKRI-UHFFFAOYSA-N 1 0 391.490 1.089 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)s1 ZINC000658395271 654189376 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CS(=O)(=O)[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1C(F)(F)F ZINC000659543992 654228911 /nfs/dbraw/zinc/22/89/11/654228911.db2.gz ORAQHWCSSGKETB-FDYHWXHSSA-N 1 0 385.452 1.368 20 0 GDADRO COc1ncc(Br)cc1CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000660005090 654237064 /nfs/dbraw/zinc/23/70/64/654237064.db2.gz BAWUYJYMSMNWDO-UHFFFAOYSA-N 1 0 385.306 1.449 20 0 GDADRO CO[C@H](CC(C)C)CS(=O)(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000660150677 654241160 /nfs/dbraw/zinc/24/11/60/654241160.db2.gz KVUJSYCMCJFWPR-DLBZAZTESA-N 1 0 376.563 1.953 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000660161332 654242637 /nfs/dbraw/zinc/24/26/37/654242637.db2.gz IXERNNPEQDUTOD-CJNGLKHVSA-N 1 0 384.318 1.623 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000660176473 654244940 /nfs/dbraw/zinc/24/49/40/654244940.db2.gz NAGKLUOVPYNUMM-LBPRGKRZSA-N 1 0 383.495 1.093 20 0 GDADRO CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000660329649 654246772 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20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000770174403 654502843 /nfs/dbraw/zinc/50/28/43/654502843.db2.gz SYYGCPGOYFLGIR-ZDUSSCGKSA-N 1 0 387.933 1.499 20 0 GDADRO CC1([NH3+])CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000669402018 654503921 /nfs/dbraw/zinc/50/39/21/654503921.db2.gz ZXNJSYZRUZRPNW-UHFFFAOYSA-N 1 0 383.290 1.702 20 0 GDADRO C[N@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000770324562 654509461 /nfs/dbraw/zinc/50/94/61/654509461.db2.gz MURVPIURZYXBCR-HNNXBMFYSA-N 1 0 375.535 1.742 20 0 GDADRO C[C@@](CO)([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000669930023 654514973 /nfs/dbraw/zinc/51/49/73/654514973.db2.gz DEJFEEFBRZHXLR-WFASDCNBSA-N 1 0 380.432 1.784 20 0 GDADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccsc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000669938425 654515256 /nfs/dbraw/zinc/51/52/56/654515256.db2.gz NNHBMCVVCRBXRM-JSGCOSHPSA-N 1 0 382.511 1.902 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1Cl 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PDSWTGUSGUNOTG-LSDHHAIUSA-N 1 0 375.535 1.647 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CCCC[NH+](C)C)c1OC ZINC000671678592 654541251 /nfs/dbraw/zinc/54/12/51/654541251.db2.gz YTDKBWZBUIUFGZ-UHFFFAOYSA-N 1 0 391.921 1.671 20 0 GDADRO C[C@@H]([NH2+][C@@H](CO)C1CC1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000771811938 654548518 /nfs/dbraw/zinc/54/85/18/654548518.db2.gz GDSUKWYBGJMNPF-YGRLFVJLSA-N 1 0 389.905 1.278 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672305195 654555678 /nfs/dbraw/zinc/55/56/78/654555678.db2.gz FZKQNXBCHAAHSI-GFCCVEGCSA-N 1 0 386.315 1.727 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCCC[NH+](C)C ZINC000672663862 654562067 /nfs/dbraw/zinc/56/20/67/654562067.db2.gz OYOCQZPARMDZQV-UHFFFAOYSA-N 1 0 376.910 1.178 20 0 GDADRO CS[C@@H]1CN(C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1[NH+](C)C ZINC000772846262 654572885 /nfs/dbraw/zinc/57/28/85/654572885.db2.gz OLSLFOHCXNJKNL-QUAUAXPMSA-N 1 0 383.539 1.575 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000673341478 654573545 /nfs/dbraw/zinc/57/35/45/654573545.db2.gz SAOHKLGYYXXITP-YPMHNXCESA-N 1 0 398.301 1.845 20 0 GDADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673512973 654575741 /nfs/dbraw/zinc/57/57/41/654575741.db2.gz HKJIAXCRHHFAPR-QWHCGFSZSA-N 1 0 397.269 1.501 20 0 GDADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518284 654576192 /nfs/dbraw/zinc/57/61/92/654576192.db2.gz VIJRTLNOGAQYBO-VNHYZAJKSA-N 1 0 381.270 1.593 20 0 GDADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673518231 654576251 /nfs/dbraw/zinc/57/62/51/654576251.db2.gz TZOPNESBNMSZRZ-HZPDHXFCSA-N 1 0 393.281 1.892 20 0 GDADRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000772965318 654577291 /nfs/dbraw/zinc/57/72/91/654577291.db2.gz PMNVNPHEYCWDJS-AWEZNQCLSA-N 1 0 391.559 1.307 20 0 GDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000674320576 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C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000842726573 655373867 /nfs/dbraw/zinc/37/38/67/655373867.db2.gz JRUCHHXJLFRYLR-WDEREUQCSA-N 1 0 382.454 1.431 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000842734681 655374365 /nfs/dbraw/zinc/37/43/65/655374365.db2.gz JTWOXNRFJXOBEK-JTQLQIEISA-N 1 0 381.267 1.969 20 0 GDADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000842738068 655374500 /nfs/dbraw/zinc/37/45/00/655374500.db2.gz UIDOVLAATXUFAL-UHFFFAOYSA-N 1 0 390.303 1.438 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000842750079 655375221 /nfs/dbraw/zinc/37/52/21/655375221.db2.gz BHRBGWUURPTDDP-NWDGAFQWSA-N 1 0 387.889 1.674 20 0 GDADRO Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)N[C@H](C)C[NH3+])cc2)cc1 ZINC000842762769 655375618 /nfs/dbraw/zinc/37/56/18/655375618.db2.gz KEMMVEGKJPTCND-CYBMUJFWSA-N 1 0 384.479 1.388 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])ccc1Cl ZINC000818519206 655375645 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C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842790323 655377129 /nfs/dbraw/zinc/37/71/29/655377129.db2.gz GANFAKWEDHKFIM-NXEZZACHSA-N 1 0 386.417 1.338 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccccc3S(=O)(=O)C(F)F)C[C@@H]21 ZINC000842793286 655377527 /nfs/dbraw/zinc/37/75/27/655377527.db2.gz UYICXMSMGKAOOZ-SDDRHHMPSA-N 1 0 394.465 1.431 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC[C@@H]1[NH3+] ZINC000842797820 655377885 /nfs/dbraw/zinc/37/78/85/655377885.db2.gz LQQDVOWSOMSOEJ-QWRGUYRKSA-N 1 0 382.454 1.431 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)c1 ZINC000842800415 655378019 /nfs/dbraw/zinc/37/80/19/655378019.db2.gz WSYOHCCCKSQOAD-MGCOHNPYSA-N 1 0 377.260 1.394 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2ccc(CCNC(=O)OC)s2)CC[C@H]1[NH3+] ZINC000842799661 655378026 /nfs/dbraw/zinc/37/80/26/655378026.db2.gz ZBDMSIPZEHAMHI-WCQYABFASA-N 1 0 375.516 1.395 20 0 GDADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(CCNC(=O)OC)s2)CC1 ZINC000842825436 655379698 /nfs/dbraw/zinc/37/96/98/655379698.db2.gz OTOFCJSAUXKDSC-UHFFFAOYSA-N 1 0 389.543 1.657 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1Br ZINC000842833213 655380173 /nfs/dbraw/zinc/38/01/73/655380173.db2.gz IYPHREABHCNQEZ-RNCFNFMXSA-N 1 0 391.287 1.512 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](C)CCC[NH3+])c1 ZINC000842877363 655382145 /nfs/dbraw/zinc/38/21/45/655382145.db2.gz BUYDVHFNMGDOJQ-SECBINFHSA-N 1 0 379.276 1.641 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)s1 ZINC000818949039 655382254 /nfs/dbraw/zinc/38/22/54/655382254.db2.gz XUEXKTRYRACJOK-HNNXBMFYSA-N 1 0 393.531 1.022 20 0 GDADRO CS(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000818963066 655382395 /nfs/dbraw/zinc/38/23/95/655382395.db2.gz FDQRJWVDVSSQSM-SNVBAGLBSA-N 1 0 386.695 1.476 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000818976584 655382705 /nfs/dbraw/zinc/38/27/05/655382705.db2.gz JZUQZPAGMZXDCA-FZMZJTMJSA-N 1 0 377.304 1.496 20 0 GDADRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842892962 655383185 /nfs/dbraw/zinc/38/31/85/655383185.db2.gz PAVWUDNBISYKGB-UHFFFAOYSA-N 1 0 386.417 1.482 20 0 GDADRO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000842928862 655385020 /nfs/dbraw/zinc/38/50/20/655385020.db2.gz MJYIJIJDTLVQAA-ZOWXZIJZSA-N 1 0 392.568 1.957 20 0 GDADRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C1 ZINC000819139185 655386942 /nfs/dbraw/zinc/38/69/42/655386942.db2.gz LRARDIAADWWTRX-QIPPXTIRSA-N 1 0 381.560 1.412 20 0 GDADRO C[C@](O)(C[NH2+]C[C@H]1CC[C@@H](C(N)=O)O1)c1ccc(Br)cc1Cl ZINC000819153678 655387007 /nfs/dbraw/zinc/38/70/07/655387007.db2.gz CTNDOVVWGWWUGQ-DGFSRKRXSA-N 1 0 391.693 1.933 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843078123 655388023 /nfs/dbraw/zinc/38/80/23/655388023.db2.gz WYZCIEXOAFMDIH-SMDDNHRTSA-N 1 0 389.290 1.958 20 0 GDADRO CON(C)C(=O)CC[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000819297060 655389356 /nfs/dbraw/zinc/38/93/56/655389356.db2.gz KRTVLQFFCPDGML-UHFFFAOYSA-N 1 0 391.209 1.229 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819343521 655390286 /nfs/dbraw/zinc/39/02/86/655390286.db2.gz LWZYCSHWGOONMM-GWCFXTLKSA-N 1 0 383.283 1.539 20 0 GDADRO COc1cc(OC)c(NC[C@@H](O)CN2CC[NH+](C)CC2)cc1Br ZINC000819474355 655391443 /nfs/dbraw/zinc/39/14/43/655391443.db2.gz SFUJUZCPAFLIRW-GFCCVEGCSA-N 1 0 388.306 1.487 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 ZINC000843335870 655392783 /nfs/dbraw/zinc/39/27/83/655392783.db2.gz RYBQTGPIJVHZAO-NWDGAFQWSA-N 1 0 388.921 1.378 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000819717161 655394783 /nfs/dbraw/zinc/39/47/83/655394783.db2.gz BMKYIGIIHGSPOP-BLLLJJGKSA-N 1 0 385.917 1.757 20 0 GDADRO C[C@H](CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)NS(=O)(=O)c1cccnc1Cl ZINC000843451335 655395290 /nfs/dbraw/zinc/39/52/90/655395290.db2.gz NXFCDRRFOHRNCF-YPMHNXCESA-N 1 0 386.905 1.145 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)NS(=O)(=O)c1cccnc1Cl ZINC000843462012 655395554 /nfs/dbraw/zinc/39/55/54/655395554.db2.gz ZATBMAQZYNKWDH-BLLLJJGKSA-N 1 0 386.905 1.004 20 0 GDADRO CC(C)(CCC[NH3+])NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843481660 655396413 /nfs/dbraw/zinc/39/64/13/655396413.db2.gz MBESMTDYIPWMGA-UHFFFAOYSA-N 1 0 382.511 1.545 20 0 GDADRO CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000843494271 655396833 /nfs/dbraw/zinc/39/68/33/655396833.db2.gz AAWLBVFKPFSTMF-UKRRQHHQSA-N 1 0 384.274 1.203 20 0 GDADRO O=C(Cn1cc(Br)cn1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820075328 655402491 /nfs/dbraw/zinc/40/24/91/655402491.db2.gz HAYBFKCFJDVWGS-QLPKVWCKSA-N 1 0 375.270 1.892 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)/C=C\c3ccc(Br)o3)CC2)C1=O ZINC000843885175 655402632 /nfs/dbraw/zinc/40/26/32/655402632.db2.gz GVTSHXRYNLERIO-MFBWXBCUSA-N 1 0 396.285 1.867 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000844441949 655410404 /nfs/dbraw/zinc/41/04/04/655410404.db2.gz CIOIIUYSRSKOJX-UHFFFAOYSA-N 1 0 377.551 1.895 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3scnc3Br)CC2)C1=O ZINC000820628061 655413200 /nfs/dbraw/zinc/41/32/00/655413200.db2.gz WWZSTMMPZQZTNF-SNVBAGLBSA-N 1 0 387.303 1.331 20 0 GDADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000820880710 655418512 /nfs/dbraw/zinc/41/85/12/655418512.db2.gz ILWCWAXXOMGAAP-CQSZACIVSA-N 1 0 375.535 1.695 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)n1 ZINC000821053232 655421661 /nfs/dbraw/zinc/42/16/61/655421661.db2.gz VMIOQCRALFKWDZ-LBPRGKRZSA-N 1 0 385.306 1.939 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2cc(N)nc(Br)c2)ccc1=O ZINC000821319554 655426425 /nfs/dbraw/zinc/42/64/25/655426425.db2.gz YUONWRMNSCHKAJ-UHFFFAOYSA-N 1 0 380.246 1.402 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(N)nc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000821436189 655430126 /nfs/dbraw/zinc/43/01/26/655430126.db2.gz KXFZEQWAUYNGBN-OCCSQVGLSA-N 1 0 396.333 1.524 20 0 GDADRO C[C@@H]1[C@H](COC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000845817140 655436258 /nfs/dbraw/zinc/43/62/58/655436258.db2.gz BWYPAAYNVPZXTD-NEPJUHHUSA-N 1 0 376.425 1.517 20 0 GDADRO CC(C)(C)OC(=O)NCCC1CC([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000845944798 655439655 /nfs/dbraw/zinc/43/96/55/655439655.db2.gz GODYAEWPJIDMOA-SLTAFYQDSA-N 1 0 375.535 1.551 20 0 GDADRO CC(C)(C)S(=O)(=O)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846143924 655448716 /nfs/dbraw/zinc/44/87/16/655448716.db2.gz BAKJSYJRYYNSPQ-KKUMJFAQSA-N 1 0 375.535 1.128 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3ccc(Br)o3)C2)C1 ZINC000846230572 655450186 /nfs/dbraw/zinc/45/01/86/655450186.db2.gz LQDDRAREWSERGE-IJLUTSLNSA-N 1 0 393.303 1.949 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)C[C@H]1C[NH3+] ZINC000846231598 655450229 /nfs/dbraw/zinc/45/02/29/655450229.db2.gz JBTOXXNXZOSDPC-QMTHXVAHSA-N 1 0 376.862 1.111 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1csc(I)n1 ZINC000823033902 655455547 /nfs/dbraw/zinc/45/55/47/655455547.db2.gz JFRSOCMHECANGX-MRVPVSSYSA-N 1 0 377.251 1.962 20 0 GDADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@H](N)CC[NH+](C)C ZINC000846671542 655458855 /nfs/dbraw/zinc/45/88/55/655458855.db2.gz VKKMKJVFOQCEST-LLVKDONJSA-N 1 0 378.445 1.332 20 0 GDADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)nc1Br ZINC000823288140 655459844 /nfs/dbraw/zinc/45/98/44/655459844.db2.gz YPTIFGLRBIOZIZ-UHFFFAOYSA-N 1 0 386.294 1.636 20 0 GDADRO Cc1c(-c2nc(N3CC[NH2+]CC3)no2)nnn1-c1cccc(Br)c1 ZINC000823315066 655460194 /nfs/dbraw/zinc/46/01/94/655460194.db2.gz JRMVZOPFYKQTJF-UHFFFAOYSA-N 1 0 390.245 1.798 20 0 GDADRO C[C@@H]1C[C@@H](C[NH2+]CCCN(C)S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823649347 655466331 /nfs/dbraw/zinc/46/63/31/655466331.db2.gz LALKUQFQRJLSBF-CABCVRRESA-N 1 0 377.551 1.893 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ncsc2Br)CC1 ZINC000847424691 655469195 /nfs/dbraw/zinc/46/91/95/655469195.db2.gz NRNLMLABRKSKMR-JTQLQIEISA-N 1 0 387.303 1.460 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847606387 655472986 /nfs/dbraw/zinc/47/29/86/655472986.db2.gz CIOXSDVLEMMZFN-WCQYABFASA-N 1 0 381.274 1.916 20 0 GDADRO O=C(Nc1ccc(Br)nc1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847606911 655473018 /nfs/dbraw/zinc/47/30/18/655473018.db2.gz GSQSOZARQKJHCN-CHWSQXEVSA-N 1 0 381.274 1.916 20 0 GDADRO COCC[NH+]1CCC(OC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000847885037 655478477 /nfs/dbraw/zinc/47/84/77/655478477.db2.gz WBKTVRIZNSURGR-UHFFFAOYSA-N 1 0 383.246 1.759 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1csc(I)n1 ZINC000824740909 655479929 /nfs/dbraw/zinc/47/99/29/655479929.db2.gz LZRQCNIMUOYGRI-RKDXNWHRSA-N 1 0 393.250 1.341 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000848023940 655480520 /nfs/dbraw/zinc/48/05/20/655480520.db2.gz DRHCJBALCOBKCN-LBPRGKRZSA-N 1 0 378.441 1.506 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000825188115 655485425 /nfs/dbraw/zinc/48/54/25/655485425.db2.gz GTFPIKSHBPIILK-CHWSQXEVSA-N 1 0 385.917 1.982 20 0 GDADRO [NH3+]CC[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(F)(F)F ZINC000825207434 655485826 /nfs/dbraw/zinc/48/58/26/655485826.db2.gz JVSMWVXJEUOYFK-VIFPVBQESA-N 1 0 378.294 1.990 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnc(CCC(F)(F)F)s1 ZINC000825223980 655486313 /nfs/dbraw/zinc/48/63/13/655486313.db2.gz RFGDTVSEEHGGQW-UHFFFAOYSA-N 1 0 380.436 1.730 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000825249348 655486689 /nfs/dbraw/zinc/48/66/89/655486689.db2.gz CNKKLQLAACOPSL-AWEZNQCLSA-N 1 0 389.905 1.135 20 0 GDADRO Cc1n[nH]c(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1Br ZINC000825633260 655492095 /nfs/dbraw/zinc/49/20/95/655492095.db2.gz RCJRGGRJYAYVEV-VXGBXAGGSA-N 1 0 398.305 1.201 20 0 GDADRO CN(C(=O)c1cc(Br)n(C)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000825850637 655494207 /nfs/dbraw/zinc/49/42/07/655494207.db2.gz OVHMDHONJANSHC-CYBMUJFWSA-N 1 0 384.322 1.423 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(I)n1 ZINC000826712527 655500445 /nfs/dbraw/zinc/50/04/45/655500445.db2.gz KHIOJOWGWWTQPB-SECBINFHSA-N 1 0 394.282 1.113 20 0 GDADRO C[C@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccc(I)cc1 ZINC000827748894 655515859 /nfs/dbraw/zinc/51/58/59/655515859.db2.gz ACXGBEABQIMACB-FZMZJTMJSA-N 1 0 388.249 1.578 20 0 GDADRO CC(C)(C)OC(=O)N1CCN2C(NCc3n[nH]cc3Br)=[NH+]C[C@@H]2C1 ZINC000849086910 655517139 /nfs/dbraw/zinc/51/71/39/655517139.db2.gz FFUPHTLVKAYRQE-SNVBAGLBSA-N 1 0 399.293 1.553 20 0 GDADRO CN(CCNC(=[NH2+])NCCc1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000849106613 655517409 /nfs/dbraw/zinc/51/74/09/655517409.db2.gz ZTQRFUBYHIJOAU-UHFFFAOYSA-N 1 0 384.502 1.864 20 0 GDADRO C[C@H]1CN(C(=[NH2+])NC[C@@H](CO)Cc2cc(Br)ccc2F)CCO1 ZINC000849115446 655517452 /nfs/dbraw/zinc/51/74/52/655517452.db2.gz UOLRJXCKGFSSGJ-RYUDHWBXSA-N 1 0 388.281 1.984 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)N[C@H]2COc3cccc(Br)c3C2)n1 ZINC000828027757 655518513 /nfs/dbraw/zinc/51/85/13/655518513.db2.gz WNCJZAQNSOSVGU-GFCCVEGCSA-N 1 0 393.285 1.941 20 0 GDADRO Cc1cc([C@@H]([NH3+])CC(=O)NCC2CCN(S(C)(=O)=O)CC2)cc(Cl)n1 ZINC000828038075 655518746 /nfs/dbraw/zinc/51/87/46/655518746.db2.gz VLRHFEFZOJJYKG-AWEZNQCLSA-N 1 0 388.921 1.221 20 0 GDADRO Cn1nc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1Br ZINC000828166749 655519701 /nfs/dbraw/zinc/51/97/01/655519701.db2.gz BXEYRIMDKBYHBX-AWEZNQCLSA-N 1 0 393.285 1.679 20 0 GDADRO S=C(NCC1CC1)NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849251551 655521154 /nfs/dbraw/zinc/52/11/54/655521154.db2.gz MACJNOAYTZAUMA-UHFFFAOYSA-N 1 0 377.583 1.904 20 0 GDADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC000849428654 655533569 /nfs/dbraw/zinc/53/35/69/655533569.db2.gz COQMMTUXLBFKCP-AWEZNQCLSA-N 1 0 392.543 1.119 20 0 GDADRO Cn1nc(C(F)(F)F)cc1C[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000850067237 655550164 /nfs/dbraw/zinc/55/01/64/655550164.db2.gz CNDKZYRZOYFNOW-UHFFFAOYSA-N 1 0 376.404 1.648 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850376585 655553662 /nfs/dbraw/zinc/55/36/62/655553662.db2.gz WCAKIDIMGXWUPQ-UHFFFAOYSA-N 1 0 384.893 1.592 20 0 GDADRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850482838 655556449 /nfs/dbraw/zinc/55/64/49/655556449.db2.gz SCPHOEYVSLYQBV-TZMCWYRMSA-N 1 0 390.527 1.630 20 0 GDADRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000850547082 655558542 /nfs/dbraw/zinc/55/85/42/655558542.db2.gz AHHPRUDCIVNWNA-VIFPVBQESA-N 1 0 394.291 1.445 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)c3cccc4scnc43)C2)nn1 ZINC000850589297 655559344 /nfs/dbraw/zinc/55/93/44/655559344.db2.gz RJCUEDBEWCIRRA-GFCCVEGCSA-N 1 0 378.483 1.372 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CC(C)(C)[NH3+])c(Br)cc1F ZINC000850588952 655559361 /nfs/dbraw/zinc/55/93/61/655559361.db2.gz DTHSAKYPOYVKKR-UHFFFAOYSA-N 1 0 397.266 1.733 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000850592981 655559754 /nfs/dbraw/zinc/55/97/54/655559754.db2.gz DZLBXLVFHHPSQW-ZETCQYMHSA-N 1 0 399.694 1.775 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)[C@@H](C)C[NH2+]1 ZINC000850824612 655569037 /nfs/dbraw/zinc/56/90/37/655569037.db2.gz WBWIXBYPNDATTL-IUCAKERBSA-N 1 0 382.877 1.344 20 0 GDADRO O=C(Nc1cnc(Br)c(Br)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000850835912 655569438 /nfs/dbraw/zinc/56/94/38/655569438.db2.gz DIRITQLUDBGFDX-LURJTMIESA-N 1 0 392.051 1.023 20 0 GDADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCn2ncc(Br)c2C1 ZINC000850858113 655570321 /nfs/dbraw/zinc/57/03/21/655570321.db2.gz TYRFJNGETMEHPJ-UHFFFAOYSA-N 1 0 390.241 1.230 20 0 GDADRO O=C(CNC(=O)C(F)(F)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000851633367 655589439 /nfs/dbraw/zinc/58/94/39/655589439.db2.gz HXFMFRSHCJSELP-UHFFFAOYSA-N 1 0 376.201 1.089 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000851720625 655592595 /nfs/dbraw/zinc/59/25/95/655592595.db2.gz OVLIKAQQSGIERV-SWLSCSKDSA-N 1 0 394.430 1.911 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000851898643 655603562 /nfs/dbraw/zinc/60/35/62/655603562.db2.gz WODLFDPYVSSPQC-IUODEOHRSA-N 1 0 394.430 1.830 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCS(=O)(=O)CC(F)(F)F)C1 ZINC000851978587 655604869 /nfs/dbraw/zinc/60/48/69/655604869.db2.gz MZXKIOWLJLDQHE-CHWSQXEVSA-N 1 0 387.468 1.631 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000851993057 655605336 /nfs/dbraw/zinc/60/53/36/655605336.db2.gz KUCVAJNCSNKFCH-CABCVRRESA-N 1 0 377.422 1.649 20 0 GDADRO O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000852459127 655615250 /nfs/dbraw/zinc/61/52/50/655615250.db2.gz QUUNWSLHQPDZBW-CIRKLDFFSA-N 1 0 381.464 1.956 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)[C@@]1(C)CC1(Br)Br ZINC000852795428 655622661 /nfs/dbraw/zinc/62/26/61/655622661.db2.gz HTBPEESDUBMXEO-LLVKDONJSA-N 1 0 383.128 1.246 20 0 GDADRO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cnnn1C1CC[NH2+]CC1 ZINC000852806640 655623050 /nfs/dbraw/zinc/62/30/50/655623050.db2.gz KVHVGYGECIEDIL-OAHLLOKOSA-N 1 0 384.267 1.973 20 0 GDADRO O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1cc2c(s1)CC[NH2+]C2 ZINC000852811067 655623224 /nfs/dbraw/zinc/62/32/24/655623224.db2.gz KGDILCVOHMPNHV-UHFFFAOYSA-N 1 0 375.416 1.925 20 0 GDADRO CCO[C@@H]1CN(C(=O)c2ccc(C(F)(F)Br)nc2)C[C@H]1C[NH3+] ZINC000852836150 655623890 /nfs/dbraw/zinc/62/38/90/655623890.db2.gz XRWHXDJVDMHCMM-GHMZBOCLSA-N 1 0 378.217 1.962 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000852840919 655624002 /nfs/dbraw/zinc/62/40/02/655624002.db2.gz BAKKJFWBCROLIS-UHFFFAOYSA-N 1 0 388.921 1.331 20 0 GDADRO C[C@@H](NC(=O)C1=NO[C@H](C[NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000852853765 655624114 /nfs/dbraw/zinc/62/41/14/655624114.db2.gz QSRATEZDFSWMQV-KCJUWKMLSA-N 1 0 394.229 1.780 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)=NO1 ZINC000852872029 655624717 /nfs/dbraw/zinc/62/47/17/655624717.db2.gz GWMIFNOYKWSVLK-OAHLLOKOSA-N 1 0 395.301 1.633 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NCc2cc(Cl)cc(I)c2)=NO1 ZINC000852893573 655625695 /nfs/dbraw/zinc/62/56/95/655625695.db2.gz OPHMFLFREJVZQA-SNVBAGLBSA-N 1 0 393.612 1.664 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000852920491 655628279 /nfs/dbraw/zinc/62/82/79/655628279.db2.gz UKSSLAOTFLHWBC-DGCLKSJQSA-N 1 0 389.905 1.135 20 0 GDADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C1=NO[C@@H](C[NH3+])C1)C2 ZINC000852923762 655628451 /nfs/dbraw/zinc/62/84/51/655628451.db2.gz ISMNWLRGJHSGET-ZCFIWIBFSA-N 1 0 388.243 1.243 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000853082380 655632399 /nfs/dbraw/zinc/63/23/99/655632399.db2.gz IMHZJBDFUWUPSM-CQSZACIVSA-N 1 0 391.287 1.656 20 0 GDADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC[S@](=O)CC(F)(F)F ZINC000853466500 655640112 /nfs/dbraw/zinc/64/01/12/655640112.db2.gz DRHPFOPINXWKJC-SXBQZSJRSA-N 1 0 379.448 1.770 20 0 GDADRO CS[C@H]1CN(c2ccc(C(=O)C3CC3)cc2S(N)(=O)=O)C[C@@H]1[NH+](C)C ZINC000853461488 655640170 /nfs/dbraw/zinc/64/01/70/655640170.db2.gz TVPXLRIJSGSEBP-GJZGRUSLSA-N 1 0 383.539 1.409 20 0 GDADRO O=c1c(Br)nn(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c2ccccc12 ZINC000853524311 655641315 /nfs/dbraw/zinc/64/13/15/655641315.db2.gz LAIIXWUXWDVUJE-GFCCVEGCSA-N 1 0 389.257 1.730 20 0 GDADRO CCNc1nc(NCCS(=O)(=O)CC(F)(F)F)nc(NC(C)(C)C)[nH+]1 ZINC000853816818 655650779 /nfs/dbraw/zinc/65/07/79/655650779.db2.gz AWTXUTNKTFYLFK-UHFFFAOYSA-N 1 0 384.428 1.903 20 0 GDADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NC[C@H]1CSCCS1 ZINC000853844990 655651791 /nfs/dbraw/zinc/65/17/91/655651791.db2.gz VSBGHYFZRVNCJU-IRXDYDNUSA-N 1 0 381.567 1.901 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCCn2cc(Br)cn2)CCO1 ZINC000854060253 655656705 /nfs/dbraw/zinc/65/67/05/655656705.db2.gz WHSIFOGLLZFCIB-AWEZNQCLSA-N 1 0 388.310 1.398 20 0 GDADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854352564 655663598 /nfs/dbraw/zinc/66/35/98/655663598.db2.gz GEYWGXGRBMULNP-NSHDSACASA-N 1 0 376.498 1.815 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1(Br)Br ZINC000854353702 655663728 /nfs/dbraw/zinc/66/37/28/655663728.db2.gz DCRBSCXVYGKEOH-CMPLNLGQSA-N 1 0 395.139 1.389 20 0 GDADRO Cn1ncc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000855200994 655686395 /nfs/dbraw/zinc/68/63/95/655686395.db2.gz MXZXTKNMSLXXQT-UHFFFAOYSA-N 1 0 385.306 1.803 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1nccn2c(Br)cnc12 ZINC000855346160 655692426 /nfs/dbraw/zinc/69/24/26/655692426.db2.gz PPMIBPKCFMYTGV-LBPRGKRZSA-N 1 0 397.321 1.494 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cnc(F)c(Br)c1 ZINC000855346879 655692481 /nfs/dbraw/zinc/69/24/81/655692481.db2.gz MYGSNWBVICDJQY-NSHDSACASA-N 1 0 375.286 1.985 20 0 GDADRO CCN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@@H]1CC[N@H+](C)C1 ZINC000855361127 655692662 /nfs/dbraw/zinc/69/26/62/655692662.db2.gz LVWQNSBDSFKTGK-MRVPVSSYSA-N 1 0 396.332 1.324 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000856139296 655708714 /nfs/dbraw/zinc/70/87/14/655708714.db2.gz SPWVKJHYOCXQHG-WFASDCNBSA-N 1 0 388.295 1.553 20 0 GDADRO O=C(c1c(Br)nc2n1CCCC2)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254403 655710903 /nfs/dbraw/zinc/71/09/03/655710903.db2.gz BGVSMLGJGAABBH-ZDUSSCGKSA-N 1 0 397.317 1.653 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCS(=O)(=O)C2CCCCC2)cc1 ZINC000856733228 655715654 /nfs/dbraw/zinc/71/56/54/655715654.db2.gz SWEVHPVDTHSESM-AWEZNQCLSA-N 1 0 388.555 1.993 20 0 GDADRO C[C@H](CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)NS(=O)(=O)c1cccnc1Cl ZINC000857009122 655725440 /nfs/dbraw/zinc/72/54/40/655725440.db2.gz TYAIYBCWROYONA-WQGACYEGSA-N 1 0 386.905 1.132 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(cc1Br)OCO2 ZINC000857088463 655727477 /nfs/dbraw/zinc/72/74/77/655727477.db2.gz FGPUPMXDFAEHQW-WDEREUQCSA-N 1 0 383.242 1.771 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000857182977 655730094 /nfs/dbraw/zinc/73/00/94/655730094.db2.gz AEGRURLCGGNJHK-AWEZNQCLSA-N 1 0 382.404 1.413 20 0 GDADRO COc1cc(CONC(=[NH2+])[C@@H]2CN(C(C)C)CCO2)c(Br)cn1 ZINC000857243669 655731816 /nfs/dbraw/zinc/73/18/16/655731816.db2.gz STMFNSYJPYLFCK-ZDUSSCGKSA-N 1 0 387.278 1.960 20 0 GDADRO CN(C)c1nc(Cl)c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)s1 ZINC000857478329 655737474 /nfs/dbraw/zinc/73/74/74/655737474.db2.gz IJIBWLLXVICGRW-UHFFFAOYSA-N 1 0 388.921 1.162 20 0 GDADRO CCNS(=O)(=O)CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000858132454 655744816 /nfs/dbraw/zinc/74/48/16/655744816.db2.gz DTNUOURJMINLPC-UHFFFAOYSA-N 1 0 393.332 1.930 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000858499152 655748718 /nfs/dbraw/zinc/74/87/18/655748718.db2.gz YYINSGKWDWHKGA-XJFOESAGSA-N 1 0 382.473 1.804 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000858497440 655748766 /nfs/dbraw/zinc/74/87/66/655748766.db2.gz GGKHMGWIRSOKET-RRFJBIMHSA-N 1 0 375.535 1.836 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)/C=C/c2ccc(Br)cc2)CCOCC1 ZINC000858623161 655751015 /nfs/dbraw/zinc/75/10/15/655751015.db2.gz PIRYLZFQQFWBPO-BJMVGYQFSA-N 1 0 375.288 1.847 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000858626441 655751152 /nfs/dbraw/zinc/75/11/52/655751152.db2.gz CSDANQIXIBKQAE-IZZDOVSWSA-N 1 0 377.304 1.917 20 0 GDADRO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)C1 ZINC000858765286 655753332 /nfs/dbraw/zinc/75/33/32/655753332.db2.gz NAAAJJZNEXXEOP-GFCCVEGCSA-N 1 0 386.543 1.195 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)[NH+]1CCCC1 ZINC000858900162 655755034 /nfs/dbraw/zinc/75/50/34/655755034.db2.gz MPTXDMAWYOVARF-NSHDSACASA-N 1 0 379.404 1.950 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(Br)cnc2F)C1 ZINC000859099613 655763324 /nfs/dbraw/zinc/76/33/24/655763324.db2.gz STPCYEJKDWBGDH-SNVBAGLBSA-N 1 0 387.253 1.300 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(Br)cnc2F)CC1 ZINC000859364415 655778782 /nfs/dbraw/zinc/77/87/82/655778782.db2.gz GUKWGJYOGCTZLF-UHFFFAOYSA-N 1 0 387.297 1.987 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000859687831 655788688 /nfs/dbraw/zinc/78/86/88/655788688.db2.gz FRRAZOCEDVJVGD-MRVPVSSYSA-N 1 0 383.168 1.973 20 0 GDADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2nccn3c(Br)cnc23)C1 ZINC000861348114 655819795 /nfs/dbraw/zinc/81/97/95/655819795.db2.gz BJERFGLDLLFYMA-MEBBXXQBSA-N 1 0 383.246 1.758 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OC[C@]1(C)C[C@H](OC)C[N@@H+]1C ZINC000861348404 655819931 /nfs/dbraw/zinc/81/99/31/655819931.db2.gz TWAYSRUBEQCNAF-UXLLHSPISA-N 1 0 376.519 1.233 20 0 GDADRO CSc1nc2ccc(NC(=O)C(=O)NCC3([NH3+])CCOCC3)cc2s1 ZINC000861514728 655824139 /nfs/dbraw/zinc/82/41/39/655824139.db2.gz IOMYYEZSGBSAGR-UHFFFAOYSA-N 1 0 380.495 1.581 20 0 GDADRO COc1ccc(I)c(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1 ZINC000861541221 655825446 /nfs/dbraw/zinc/82/54/46/655825446.db2.gz YRUIXLBFBMJAML-QMMMGPOBSA-N 1 0 391.209 1.044 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000861542176 655825580 /nfs/dbraw/zinc/82/55/80/655825580.db2.gz MTJWQLRZVHYZLC-SNVBAGLBSA-N 1 0 384.267 1.982 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000861576817 655826165 /nfs/dbraw/zinc/82/61/65/655826165.db2.gz SKXBKOWGKILLOZ-LBPRGKRZSA-N 1 0 385.306 1.786 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N(C)C[C@@H](C)[NH3+])C2=O)ccc1Br ZINC000861617782 655827088 /nfs/dbraw/zinc/82/70/88/655827088.db2.gz NDRSWYXSWLWCDA-RISCZKNCSA-N 1 0 383.290 1.851 20 0 GDADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713871 655828980 /nfs/dbraw/zinc/82/89/80/655828980.db2.gz FNJPAKXXHXWTKE-WDEREUQCSA-N 1 0 377.482 1.976 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862277061 655843866 /nfs/dbraw/zinc/84/38/66/655843866.db2.gz NLIUIILHWFGTEO-CYBMUJFWSA-N 1 0 379.523 1.276 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862290149 655843970 /nfs/dbraw/zinc/84/39/70/655843970.db2.gz OVMMNDHTDMIQDJ-HIFRSBDPSA-N 1 0 376.519 1.425 20 0 GDADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000862792842 655855021 /nfs/dbraw/zinc/85/50/21/655855021.db2.gz DSFUSCXCBOTQAZ-SNVBAGLBSA-N 1 0 377.869 1.588 20 0 GDADRO COC(=O)[C@]1(OC)CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000863295865 655865064 /nfs/dbraw/zinc/86/50/64/655865064.db2.gz CPBJBJNFTROCIO-KRWDZBQOSA-N 1 0 395.253 1.985 20 0 GDADRO CCOC(=O)c1nn(CN2CCC(C)([NH+]3CCOCC3)CC2)c(=S)s1 ZINC000863314537 655865705 /nfs/dbraw/zinc/86/57/05/655865705.db2.gz OFYZOYLWUPEZPO-UHFFFAOYSA-N 1 0 386.543 1.995 20 0 GDADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000863570991 655875946 /nfs/dbraw/zinc/87/59/46/655875946.db2.gz OHCWFHRABIECRC-SJLPKXTDSA-N 1 0 399.329 1.688 20 0 GDADRO C[C@@H]1[C@H]([NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CCS1(=O)=O ZINC000863580660 655876515 /nfs/dbraw/zinc/87/65/15/655876515.db2.gz JQMNNBLYIAHBKN-BPLDGKMQSA-N 1 0 376.519 1.160 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000863772034 655880619 /nfs/dbraw/zinc/88/06/19/655880619.db2.gz DSAFEAWOUAKJEL-OCCSQVGLSA-N 1 0 382.302 1.831 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000864071103 655889245 /nfs/dbraw/zinc/88/92/45/655889245.db2.gz YWVSPVHOHPXAMC-MNOVXSKESA-N 1 0 388.253 1.627 20 0 GDADRO O=C1C[C@@H]([N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000864350054 655896629 /nfs/dbraw/zinc/89/66/29/655896629.db2.gz BRYAFPNWPTYOIL-OASPWFOLSA-N 1 0 379.210 1.186 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000864582342 655902745 /nfs/dbraw/zinc/90/27/45/655902745.db2.gz YDEUYWCHWIEWND-GFCCVEGCSA-N 1 0 395.305 1.721 20 0 GDADRO C[NH+](C)CCn1cc(CN2C(=O)C(=O)c3cc(Br)ccc32)nn1 ZINC000864623927 655903374 /nfs/dbraw/zinc/90/33/74/655903374.db2.gz QJPVVZVKGOKJDM-UHFFFAOYSA-N 1 0 378.230 1.332 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000865115891 655912460 /nfs/dbraw/zinc/91/24/60/655912460.db2.gz CSDSAYITGMBDEJ-LLVKDONJSA-N 1 0 386.279 1.880 20 0 GDADRO CN(C)C(=O)CNC(=S)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000865242938 655915209 /nfs/dbraw/zinc/91/52/09/655915209.db2.gz IKVIVOGNXGQTSR-ZDUSSCGKSA-N 1 0 376.448 1.860 20 0 GDADRO Cn1ncc2cc(C[NH2+]C3CCN(S(=O)(=O)C(F)(F)F)CC3)cnc21 ZINC000865488075 655920605 /nfs/dbraw/zinc/92/06/05/655920605.db2.gz BHRVOHVLUSDIOA-UHFFFAOYSA-N 1 0 377.392 1.372 20 0 GDADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)CC(F)F ZINC000865510446 655921022 /nfs/dbraw/zinc/92/10/22/655921022.db2.gz UZIDAKHJZPQJRM-NEPJUHHUSA-N 1 0 385.477 1.406 20 0 GDADRO CC(C)OCCS(=O)(=O)N1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865579238 655922402 /nfs/dbraw/zinc/92/24/02/655922402.db2.gz VXCILXJSULJMCW-UHFFFAOYSA-N 1 0 381.420 1.977 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](O)[C@H](C)O)CC1 ZINC000865739185 655925561 /nfs/dbraw/zinc/92/55/61/655925561.db2.gz TUZWVARSPPWPHF-LRDDRELGSA-N 1 0 385.302 1.693 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000865748724 655925895 /nfs/dbraw/zinc/92/58/95/655925895.db2.gz ADDIEKLXQDFCBJ-GFCCVEGCSA-N 1 0 397.317 1.756 20 0 GDADRO OCc1cc(N2CCN(c3ncc(I)cn3)CC2)cc[nH+]1 ZINC000866021827 655933144 /nfs/dbraw/zinc/93/31/44/655933144.db2.gz HCUKSOUSHICDNV-UHFFFAOYSA-N 1 0 397.220 1.295 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[NH2+]C(C)(C)C2)c1I ZINC000866327236 655937773 /nfs/dbraw/zinc/93/77/73/655937773.db2.gz XWDWLQUDYZMEKM-UHFFFAOYSA-N 1 0 376.242 1.893 20 0 GDADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866373139 655938719 /nfs/dbraw/zinc/93/87/19/655938719.db2.gz LRUIARHKSMTVMI-UHFFFAOYSA-N 1 0 379.404 1.902 20 0 GDADRO Cn1cc(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)c(Br)n1 ZINC000866475511 655945598 /nfs/dbraw/zinc/94/55/98/655945598.db2.gz AMLNUEYMEXZSAH-UHFFFAOYSA-N 1 0 387.303 1.723 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cn(C)nc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000866498565 655947427 /nfs/dbraw/zinc/94/74/27/655947427.db2.gz ZSLQEZTYROTQRF-MNOVXSKESA-N 1 0 379.324 1.581 20 0 GDADRO CN(CCN(C)S(=O)(=O)C[C@]1(C)CC1(Cl)Cl)C1CC[NH+](C)CC1 ZINC000866544873 655948716 /nfs/dbraw/zinc/94/87/16/655948716.db2.gz DEVLSBVTTGQGEF-AWEZNQCLSA-N 1 0 386.389 1.858 20 0 GDADRO O=C1COC[C@@]2(C[NH2+][C@H]3CCc4sc(Br)cc43)COCCN12 ZINC000866553497 655949078 /nfs/dbraw/zinc/94/90/78/655949078.db2.gz MSZSWNBREUJXTQ-XHDPSFHLSA-N 1 0 387.299 1.715 20 0 GDADRO COc1ccc([C@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)cc1Br ZINC000866556408 655949459 /nfs/dbraw/zinc/94/94/59/655949459.db2.gz SWVNPHGTVCAHOZ-YVEFUNNKSA-N 1 0 399.285 1.736 20 0 GDADRO C[C@@H](c1ncc(Br)cn1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711114 655956038 /nfs/dbraw/zinc/95/60/38/655956038.db2.gz CFMCCOYTPDWOEA-SYEHKZFSSA-N 1 0 382.262 1.167 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000866731553 655957194 /nfs/dbraw/zinc/95/71/94/655957194.db2.gz BWRFIKSHGXKJOL-QHCPKHFHSA-N 1 0 377.532 1.469 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000866735815 655957422 /nfs/dbraw/zinc/95/74/22/655957422.db2.gz RWCQPZAXIJDUFO-UHFFFAOYSA-N 1 0 391.559 1.512 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866740627 655957931 /nfs/dbraw/zinc/95/79/31/655957931.db2.gz SEFBKNRLDBZCAD-UHFFFAOYSA-N 1 0 386.440 1.418 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c(OC)cc1F ZINC000866741465 655958020 /nfs/dbraw/zinc/95/80/20/655958020.db2.gz FGFOSWPQBHXSKC-ZDUSSCGKSA-N 1 0 376.450 1.615 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000866743078 655958166 /nfs/dbraw/zinc/95/81/66/655958166.db2.gz JIXJUUMGDIULOA-LLVKDONJSA-N 1 0 377.388 1.702 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000866760518 655959759 /nfs/dbraw/zinc/95/97/59/655959759.db2.gz UUSCKSWSTYNSIT-UHFFFAOYSA-N 1 0 380.333 1.811 20 0 GDADRO O=S(=O)(c1ccc2ccnc(Cl)c2c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000866765465 655960373 /nfs/dbraw/zinc/96/03/73/655960373.db2.gz YDYBHVFGTSTUGE-CQSZACIVSA-N 1 0 380.901 1.556 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Br)n1 ZINC000866770472 655961212 /nfs/dbraw/zinc/96/12/12/655961212.db2.gz ZMHLSRRMXMRYOG-GHMZBOCLSA-N 1 0 377.308 1.193 20 0 GDADRO [NH3+][C@H]1CCCCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000866783700 655963117 /nfs/dbraw/zinc/96/31/17/655963117.db2.gz SHTUUDAECZOIAF-NSHDSACASA-N 1 0 382.454 1.575 20 0 GDADRO Cn1ncc(S(=O)(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c1Br ZINC000866787232 655963583 /nfs/dbraw/zinc/96/35/83/655963583.db2.gz JOPYGUISVBTBCZ-GFCCVEGCSA-N 1 0 387.303 1.421 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000866791838 655964070 /nfs/dbraw/zinc/96/40/70/655964070.db2.gz LUZWBJISDGXDGY-PSASIEDQSA-N 1 0 377.260 1.346 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000866794009 655964270 /nfs/dbraw/zinc/96/42/70/655964270.db2.gz NBESRGGKPKWYGL-JCQPUDPBSA-N 1 0 377.507 1.801 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c1OC ZINC000866802374 655965337 /nfs/dbraw/zinc/96/53/37/655965337.db2.gz CUWGWZDHNFGCFO-UHFFFAOYSA-N 1 0 390.889 1.898 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(Br)c1 ZINC000866822775 655967134 /nfs/dbraw/zinc/96/71/34/655967134.db2.gz CRTOOPDSSJQBNN-OLZOCXBDSA-N 1 0 375.288 1.973 20 0 GDADRO COCCC1(NS(=O)(=O)c2cc(F)ccc2OC(F)F)CC[NH2+]CC1 ZINC000866825629 655967470 /nfs/dbraw/zinc/96/74/70/655967470.db2.gz OAWMPDHEZLCTFG-UHFFFAOYSA-N 1 0 382.404 1.864 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866830472 655967913 /nfs/dbraw/zinc/96/79/13/655967913.db2.gz DBDFLOQTKCBOOA-VXGBXAGGSA-N 1 0 375.288 1.973 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866873491 655972379 /nfs/dbraw/zinc/97/23/79/655972379.db2.gz CZEGSLVUOZMIRG-GFCCVEGCSA-N 1 0 378.901 1.426 20 0 GDADRO CC(C)[C@H](CNS(=O)(=O)c1cc(Cl)cnc1Cl)N1CC[NH+](C)CC1 ZINC000866873054 655972406 /nfs/dbraw/zinc/97/24/06/655972406.db2.gz LEYYZZVJFUWPPW-ZDUSSCGKSA-N 1 0 395.356 1.939 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)C1 ZINC000866895775 655974796 /nfs/dbraw/zinc/97/47/96/655974796.db2.gz YKYDEEBDGSGCBL-NPMABZOXSA-N 1 0 377.507 1.943 20 0 GDADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000866908732 655975984 /nfs/dbraw/zinc/97/59/84/655975984.db2.gz ONAAYHNVBYLUOU-UHFFFAOYSA-N 1 0 395.323 1.340 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(I)cc1O ZINC000866920389 655977347 /nfs/dbraw/zinc/97/73/47/655977347.db2.gz CUZCCSMNBAUAKU-CYBMUJFWSA-N 1 0 378.210 1.039 20 0 GDADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000866955185 655981334 /nfs/dbraw/zinc/98/13/34/655981334.db2.gz CODCNZVXGCYHGA-GJZGRUSLSA-N 1 0 377.551 1.893 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000867028549 655988965 /nfs/dbraw/zinc/98/89/65/655988965.db2.gz UJBFMNJELQWSLN-UHFFFAOYSA-N 1 0 385.555 1.947 20 0 GDADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccc(Cl)nc2F)ccn1 ZINC000867029704 655989159 /nfs/dbraw/zinc/98/91/59/655989159.db2.gz QLBHZIDLYSUTCX-UHFFFAOYSA-N 1 0 388.852 1.688 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cn(C)nc2C(C)(C)C)C[C@H]1[NH+]1CCCC1 ZINC000867124869 655998940 /nfs/dbraw/zinc/99/89/40/655998940.db2.gz QBFLKFRBTFHNAX-ZIAGYGMSSA-N 1 0 386.587 1.918 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000867147837 656002478 /nfs/dbraw/zinc/00/24/78/656002478.db2.gz PAVWIRDLCIKRDB-UHFFFAOYSA-N 1 0 389.934 1.261 20 0 GDADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000867191585 656009480 /nfs/dbraw/zinc/00/94/80/656009480.db2.gz RDDDIXIVHDSIMV-NPMABZOXSA-N 1 0 377.507 1.943 20 0 GDADRO O=S(=O)(NC[C@@H]1CCCCN1CCO)c1cc2nc(Cl)ncc2s1 ZINC000867328405 656039066 /nfs/dbraw/zinc/03/90/66/656039066.db2.gz WGLBUDMXMBQLGI-JTQLQIEISA-N 1 0 390.918 1.470 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867333200 656040480 /nfs/dbraw/zinc/04/04/80/656040480.db2.gz NDEPJCXRHGDROK-ZBFHGGJFSA-N 1 0 394.313 1.960 20 0 GDADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000867354079 656043961 /nfs/dbraw/zinc/04/39/61/656043961.db2.gz SSZQYNFQUDRCFQ-UHFFFAOYSA-N 1 0 377.551 1.893 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1 ZINC000867402317 656053956 /nfs/dbraw/zinc/05/39/56/656053956.db2.gz VRIXUMUJNCCOMH-HNNXBMFYSA-N 1 0 387.527 1.156 20 0 GDADRO COc1cc(F)c(OS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1OC ZINC000867457492 656064712 /nfs/dbraw/zinc/06/47/12/656064712.db2.gz HFXZSJNOZUWYAJ-UHFFFAOYSA-N 1 0 376.450 1.189 20 0 GDADRO O=S(=O)(Cc1ccc(F)cc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000867534190 656079479 /nfs/dbraw/zinc/07/94/79/656079479.db2.gz LZBPFBIPDYHJFZ-OAHLLOKOSA-N 1 0 376.881 1.840 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)cn3)CC[C@H]21 ZINC000867579268 656087700 /nfs/dbraw/zinc/08/77/00/656087700.db2.gz XVMHTHIUGNADPE-IUODEOHRSA-N 1 0 395.301 1.403 20 0 GDADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000867652334 656099387 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CC(C)n1ncc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)c1I ZINC000867976053 656136637 /nfs/dbraw/zinc/13/66/37/656136637.db2.gz FASYJVFVEBVZRI-SNVBAGLBSA-N 1 0 376.242 1.939 20 0 GDADRO COc1cc(I)ccc1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000867980288 656136758 /nfs/dbraw/zinc/13/67/58/656136758.db2.gz USELOBGMDYVBEK-JTQLQIEISA-N 1 0 376.194 1.018 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C2CC[NH2+]CC2)s1 ZINC000868011116 656137529 /nfs/dbraw/zinc/13/75/29/656137529.db2.gz YMCHDAKTUHLWTA-DZGCQCFKSA-N 1 0 385.555 1.714 20 0 GDADRO C[C@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CC[NH2+]CC1 ZINC000868011275 656137548 /nfs/dbraw/zinc/13/75/48/656137548.db2.gz FSGPTTMUIJCNKV-NSHDSACASA-N 1 0 393.285 1.663 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000868053310 656138883 /nfs/dbraw/zinc/13/88/83/656138883.db2.gz XEWHNZMCMSQJRI-JQWIXIFHSA-N 1 0 390.269 1.939 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000868157095 656142486 /nfs/dbraw/zinc/14/24/86/656142486.db2.gz 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CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868422800 656155139 /nfs/dbraw/zinc/15/51/39/656155139.db2.gz WAQBTCBDTGKOPV-GJZGRUSLSA-N 1 0 380.286 1.760 20 0 GDADRO C[C@H]1CN(C(=O)Cn2ccc(Br)cc2=O)CC[N@@H+](C2CCC2)C1 ZINC000868529224 656159545 /nfs/dbraw/zinc/15/95/45/656159545.db2.gz ZNYBCTQECJOFKH-CYBMUJFWSA-N 1 0 382.302 1.944 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000868571484 656161391 /nfs/dbraw/zinc/16/13/91/656161391.db2.gz KZWWDINIFOIQQJ-AWEZNQCLSA-N 1 0 388.253 1.583 20 0 GDADRO CCO[C@@H]1C[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1SC ZINC000869083393 656179151 /nfs/dbraw/zinc/17/91/51/656179151.db2.gz GTIKJIWHEZZLOW-RQJABVFESA-N 1 0 375.535 1.467 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000869329250 656191215 /nfs/dbraw/zinc/19/12/15/656191215.db2.gz XJGMFKAVXLGPPJ-CQSZACIVSA-N 1 0 382.302 1.849 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000869776751 656207059 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[NH3+][C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC[C@H]1F ZINC000871805810 656280025 /nfs/dbraw/zinc/28/00/25/656280025.db2.gz QJOGGHZHQNNMDW-VXGBXAGGSA-N 1 0 375.853 1.675 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)cnc1Cl ZINC000871810397 656280787 /nfs/dbraw/zinc/28/07/87/656280787.db2.gz LDSPNLYICAHTGL-NSHDSACASA-N 1 0 380.297 1.825 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)CCc2ccc3c(c2)CCO3)C[C@H]1C(F)(F)F ZINC000871813801 656282272 /nfs/dbraw/zinc/28/22/72/656282272.db2.gz YELULSMFYNEFBG-ZIAGYGMSSA-N 1 0 378.416 1.563 20 0 GDADRO CC(=O)Nc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1F ZINC000871814200 656282594 /nfs/dbraw/zinc/28/25/94/656282594.db2.gz QKXSIVDCNUCJCL-GXSJLCMTSA-N 1 0 383.367 1.542 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@H]1C(F)(F)F ZINC000871814133 656282657 /nfs/dbraw/zinc/28/26/57/656282657.db2.gz PLNCMZOYUBNSCJ-DTWKUNHWSA-N 1 0 382.795 1.745 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871814398 656282909 /nfs/dbraw/zinc/28/29/09/656282909.db2.gz UBVILQKOTRECPB-DTWKUNHWSA-N 1 0 386.417 1.601 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c(Br)o1 ZINC000871816953 656283581 /nfs/dbraw/zinc/28/35/81/656283581.db2.gz NROBBRFGKNUELJ-GXFFZTMASA-N 1 0 393.259 1.392 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C2 ZINC000871815924 656283599 /nfs/dbraw/zinc/28/35/99/656283599.db2.gz ZDYFVIHUMCPDHI-GXFFZTMASA-N 1 0 398.428 1.210 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)c(Cl)cc21 ZINC000871818611 656283621 /nfs/dbraw/zinc/28/36/21/656283621.db2.gz LJHQPGQKTVCMSH-IAGOWNOFSA-N 1 0 383.901 1.812 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c1)C(F)(F)F ZINC000871819440 656283721 /nfs/dbraw/zinc/28/37/21/656283721.db2.gz SQTSXZQXEHRXIC-OCCSQVGLSA-N 1 0 377.388 1.750 20 0 GDADRO CS(=O)(=O)N(CCN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000872151387 656318917 /nfs/dbraw/zinc/31/89/17/656318917.db2.gz KLWBBUHHMPBYGP-GJZGRUSLSA-N 1 0 379.448 1.517 20 0 GDADRO CCS[C@@H]1CCCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000872189417 656319585 /nfs/dbraw/zinc/31/95/85/656319585.db2.gz GYIYCTUCDGCUQO-UPJWGTAASA-N 1 0 381.464 1.716 20 0 GDADRO C[C@H](CN(C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1nccs1 ZINC000872190071 656319659 /nfs/dbraw/zinc/31/96/59/656319659.db2.gz QWRNKMLTGBJCIY-GMTAPVOTSA-N 1 0 378.420 1.301 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872200510 656319861 /nfs/dbraw/zinc/31/98/61/656319861.db2.gz JHSFLUMYFWEPJW-CQSZACIVSA-N 1 0 387.318 1.909 20 0 GDADRO O=C(c1cc(Cl)nc(Cl)c1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872262421 656322032 /nfs/dbraw/zinc/32/20/32/656322032.db2.gz CQXAUWIZKWEIJG-NEPJUHHUSA-N 1 0 385.251 1.786 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@]23COC(=O)N2CCOC3)c(Br)c1 ZINC000872260857 656322056 /nfs/dbraw/zinc/32/20/56/656322056.db2.gz FMIVOKBZVUPPFJ-INIZCTEOSA-N 1 0 399.241 1.547 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000872473347 656336852 /nfs/dbraw/zinc/33/68/52/656336852.db2.gz HONNITXSBNKWOP-OAHLLOKOSA-N 1 0 380.432 1.624 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)CCSC1 ZINC000872925463 656382025 /nfs/dbraw/zinc/38/20/25/656382025.db2.gz UJLPBPYNJJNDCT-NQKGRLOXSA-N 1 0 375.560 1.079 20 0 GDADRO C[C@H](CNC(=O)NCCOC(F)(F)C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000872923431 656382031 /nfs/dbraw/zinc/38/20/31/656382031.db2.gz ITLMTKLAQCRBEJ-LLVKDONJSA-N 1 0 376.370 1.341 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNCc1cccc(F)c1I ZINC000873051228 656384862 /nfs/dbraw/zinc/38/48/62/656384862.db2.gz FUPWONGFFIGXPA-GFCCVEGCSA-N 1 0 377.245 1.766 20 0 GDADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1ccc(Br)cc1 ZINC000873101773 656386250 /nfs/dbraw/zinc/38/62/50/656386250.db2.gz YFQRMASYMBJDOC-AWEZNQCLSA-N 1 0 396.285 1.663 20 0 GDADRO COc1c(Cl)cccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873105620 656386374 /nfs/dbraw/zinc/38/63/74/656386374.db2.gz ZLGLRLOBOZQJSF-RKDXNWHRSA-N 1 0 379.766 1.883 20 0 GDADRO Fc1cccc(C[NH2+][C@H]2CCc3nnnn3CC2)c1I ZINC000873132217 656387951 /nfs/dbraw/zinc/38/79/51/656387951.db2.gz LOGRIGUZVLESTF-JTQLQIEISA-N 1 0 387.200 1.912 20 0 GDADRO CCn1ncc(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)c1Br ZINC000873526779 656395527 /nfs/dbraw/zinc/39/55/27/656395527.db2.gz ZNXKSGZQSLPKGV-SNVBAGLBSA-N 1 0 395.261 1.864 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2c3c(ccc2Br)OCC3)C1 ZINC000873717736 656406469 /nfs/dbraw/zinc/40/64/69/656406469.db2.gz DZRDUDJBUCEYCQ-LLVKDONJSA-N 1 0 396.285 1.781 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)CC1 ZINC000873729934 656408562 /nfs/dbraw/zinc/40/85/62/656408562.db2.gz WZRRJEYQAYPZIZ-UHFFFAOYSA-N 1 0 378.231 1.644 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)c2cnc(I)c([O-])c2)CC1 ZINC000873834150 656420724 /nfs/dbraw/zinc/42/07/24/656420724.db2.gz AJHJSVISDMQKBE-UHFFFAOYSA-N 1 0 389.237 1.994 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000874174723 656448422 /nfs/dbraw/zinc/44/84/22/656448422.db2.gz SONUXHLMLAOGLL-WCQYABFASA-N 1 0 381.274 1.644 20 0 GDADRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1nc(Br)c(Br)n1 ZINC000922166543 656460358 /nfs/dbraw/zinc/46/03/58/656460358.db2.gz GCSQUCQXEBVZPR-SSDOTTSWSA-N 1 0 381.072 1.014 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c(Br)n1 ZINC000874365153 656465549 /nfs/dbraw/zinc/46/55/49/656465549.db2.gz AMVKODGSQNUKKL-STQMWFEESA-N 1 0 381.274 1.786 20 0 GDADRO O=C(NC1CCN(c2nccs2)CC1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922337880 656468961 /nfs/dbraw/zinc/46/89/61/656468961.db2.gz LVZYLQMQBCWAJY-HUUCEWRRSA-N 1 0 381.571 1.991 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(N)nc(Br)c2)CC1 ZINC000874441866 656469705 /nfs/dbraw/zinc/46/97/05/656469705.db2.gz FTXQVGLZRNYYKV-CQSZACIVSA-N 1 0 396.333 1.668 20 0 GDADRO C[N@@H+]1CC[C@H]1CNC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000922389766 656473719 /nfs/dbraw/zinc/47/37/19/656473719.db2.gz JYWPCGZHJLKRRU-LBPRGKRZSA-N 1 0 379.404 1.612 20 0 GDADRO CN1CCOC[C@]1(CO)C[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000922533602 656489361 /nfs/dbraw/zinc/48/93/61/656489361.db2.gz QRZYPIJIBUOOBR-OAHLLOKOSA-N 1 0 386.315 1.842 20 0 GDADRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1ccc(F)cc1I ZINC000922532539 656489387 /nfs/dbraw/zinc/48/93/87/656489387.db2.gz FFYJWAZWXOKSMA-AWEZNQCLSA-N 1 0 394.228 1.213 20 0 GDADRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000922533593 656489462 /nfs/dbraw/zinc/48/94/62/656489462.db2.gz QNEUFNKILMLHCF-KRWDZBQOSA-N 1 0 380.286 1.780 20 0 GDADRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000922533171 656489516 /nfs/dbraw/zinc/48/95/16/656489516.db2.gz LLQANERSYZLRBK-KRWDZBQOSA-N 1 0 380.286 1.780 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874848976 656490397 /nfs/dbraw/zinc/49/03/97/656490397.db2.gz HLVGODUEXWTXIR-RCBQFDQVSA-N 1 0 385.917 1.702 20 0 GDADRO COc1c(Br)cccc1C[NH2+]C[C@@]1(OC)CCS(=O)(=O)C1 ZINC000922620173 656497107 /nfs/dbraw/zinc/49/71/07/656497107.db2.gz YXPBGBIZDKXVIR-AWEZNQCLSA-N 1 0 378.288 1.751 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N(C)CCS(N)(=O)=O)c1ccccc1Cl ZINC000875002422 656501072 /nfs/dbraw/zinc/50/10/72/656501072.db2.gz QQPAIPJQAPGQHO-OAHLLOKOSA-N 1 0 390.937 1.653 20 0 GDADRO CCO[C@@H](CNCc1ccc(S(N)(=O)=O)c(Br)c1)C[NH+](C)C ZINC000922755956 656506520 /nfs/dbraw/zinc/50/65/20/656506520.db2.gz JEFNJEDVZWCBNE-LBPRGKRZSA-N 1 0 394.335 1.153 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Br)cn1)[NH+]1CCCCC1 ZINC000875107374 656510025 /nfs/dbraw/zinc/51/00/25/656510025.db2.gz QAEWTHWGYVAEJU-LBPRGKRZSA-N 1 0 383.290 1.451 20 0 GDADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000875111385 656510185 /nfs/dbraw/zinc/51/01/85/656510185.db2.gz RFCSQUXKONUXLT-UHFFFAOYSA-N 1 0 397.317 1.839 20 0 GDADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000922825644 656510283 /nfs/dbraw/zinc/51/02/83/656510283.db2.gz NULKLLZETWJHGJ-SECBINFHSA-N 1 0 394.316 1.396 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000875131926 656513400 /nfs/dbraw/zinc/51/34/00/656513400.db2.gz KCEJSATXWHFYEV-SECBINFHSA-N 1 0 380.798 1.826 20 0 GDADRO C[N@H+](CCCCNC(=O)C(=O)NCc1ncc(Br)s1)C1CC1 ZINC000875402890 656537479 /nfs/dbraw/zinc/53/74/79/656537479.db2.gz JDDRRCIJBBAWBZ-UHFFFAOYSA-N 1 0 389.319 1.512 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000923295752 656542886 /nfs/dbraw/zinc/54/28/86/656542886.db2.gz GIGWOOQHJDRNKQ-JVLSTEMRSA-N 1 0 393.709 1.890 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000923413137 656551409 /nfs/dbraw/zinc/55/14/09/656551409.db2.gz CBWAPYZMKMZCLJ-FZKCQIBNSA-N 1 0 396.285 1.349 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@]([NH3+])(CO)C1 ZINC000923478271 656554700 /nfs/dbraw/zinc/55/47/00/656554700.db2.gz YWJYJBJWWMLIIP-CXAGYDPISA-N 1 0 384.318 1.582 20 0 GDADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000875727161 656557109 /nfs/dbraw/zinc/55/71/09/656557109.db2.gz XPGIOKVUTPZKSH-UHFFFAOYSA-N 1 0 397.317 1.839 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Br)cn2)C1 ZINC000875769597 656559989 /nfs/dbraw/zinc/55/99/89/656559989.db2.gz RPSNMTAYULOZIL-CYBMUJFWSA-N 1 0 383.290 1.449 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1ncc(Br)s1 ZINC000875785912 656565325 /nfs/dbraw/zinc/56/53/25/656565325.db2.gz UZTJZEQQTXYYCY-UHFFFAOYSA-N 1 0 375.292 1.076 20 0 GDADRO CN(C(=O)C(=O)NCc1ncc(Br)s1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000875786394 656565762 /nfs/dbraw/zinc/56/57/62/656565762.db2.gz YCCXYJQNNCXPMN-SNVBAGLBSA-N 1 0 387.303 1.217 20 0 GDADRO C[C@@]12CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C[C@@H]1C2(Cl)Cl ZINC000875800222 656566603 /nfs/dbraw/zinc/56/66/03/656566603.db2.gz ICEKEHJPSRYPJQ-SLEUVZQESA-N 1 0 377.316 1.552 20 0 GDADRO C[C@H](NS(=O)(=O)C1C[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000923598721 656574754 /nfs/dbraw/zinc/57/47/54/656574754.db2.gz YOAVDKNJZKHBHM-QMMMGPOBSA-N 1 0 377.260 1.173 20 0 GDADRO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000923601464 656575342 /nfs/dbraw/zinc/57/53/42/656575342.db2.gz RIRWIARYUVKRRD-HUUCEWRRSA-N 1 0 389.315 1.904 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2COc3cccc(Br)c3C2)C1 ZINC000876227580 656581272 /nfs/dbraw/zinc/58/12/72/656581272.db2.gz FFDUVTMILQGOJE-MEDUHNTESA-N 1 0 384.274 1.118 20 0 GDADRO O=S(=O)(NCCCCCN1CC[NH2+]CC1)c1c(Cl)nc2sccn21 ZINC000923682639 656584586 /nfs/dbraw/zinc/58/45/86/656584586.db2.gz SADDOVYKEHSMIE-UHFFFAOYSA-N 1 0 391.950 1.403 20 0 GDADRO COC[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cccc(Br)c1 ZINC000876236598 656586779 /nfs/dbraw/zinc/58/67/79/656586779.db2.gz ZKVSAVSULMFKNO-XHSDSOJGSA-N 1 0 398.301 1.597 20 0 GDADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1c(Cl)ccnc1Cl)CC2 ZINC000923685676 656586836 /nfs/dbraw/zinc/58/68/36/656586836.db2.gz ARYHQYNVDXSPLC-JTQLQIEISA-N 1 0 380.297 1.907 20 0 GDADRO CCOC(=O)CS[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)C(F)(F)F ZINC000876257862 656588050 /nfs/dbraw/zinc/58/80/50/656588050.db2.gz MRPSOAZNSAASPQ-LBPRGKRZSA-N 1 0 385.452 1.951 20 0 GDADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923694739 656590632 /nfs/dbraw/zinc/59/06/32/656590632.db2.gz GXIDVFLUHHMMIG-ZDUSSCGKSA-N 1 0 397.722 1.885 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@H](CC[NH3+])C2)cc1OC ZINC000923695778 656591049 /nfs/dbraw/zinc/59/10/49/656591049.db2.gz RVQKNDPHHSRFHQ-JTQLQIEISA-N 1 0 393.303 1.826 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H](CC[NH3+])C2)s1 ZINC000923697367 656592084 /nfs/dbraw/zinc/59/20/84/656592084.db2.gz NSGIOYJZAAJHQI-CQSZACIVSA-N 1 0 387.571 1.812 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c1OC ZINC000923700433 656593127 /nfs/dbraw/zinc/59/31/27/656593127.db2.gz ATXHGPPPKARTHZ-GHMZBOCLSA-N 1 0 390.889 1.741 20 0 GDADRO CC(C)(O)C[NH+]1CCN(C(=O)NCc2ncc(Br)s2)CC1 ZINC000876287664 656594060 /nfs/dbraw/zinc/59/40/60/656594060.db2.gz VALNELSSQAELAG-UHFFFAOYSA-N 1 0 377.308 1.504 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923712875 656594568 /nfs/dbraw/zinc/59/45/68/656594568.db2.gz GIEMIIKBUUSYRW-NWDGAFQWSA-N 1 0 388.331 1.745 20 0 GDADRO C[NH+]1CCC(OCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)CC1 ZINC000923791879 656599772 /nfs/dbraw/zinc/59/97/72/656599772.db2.gz HTDIZIRLQCGXIS-UHFFFAOYSA-N 1 0 376.240 1.981 20 0 GDADRO C[NH+]1CCC(OCC(=O)OCc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000923790050 656599918 /nfs/dbraw/zinc/59/99/18/656599918.db2.gz ROKFIVUDLQJRPR-UHFFFAOYSA-N 1 0 377.409 1.837 20 0 GDADRO O=C(NCCOC(F)(F)C(F)(F)F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000876353769 656601046 /nfs/dbraw/zinc/60/10/46/656601046.db2.gz HJBTWLBCZYPYLX-LLVKDONJSA-N 1 0 375.338 1.399 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000876532485 656611635 /nfs/dbraw/zinc/61/16/35/656611635.db2.gz HRZWXKIKHZZHQU-SNVBAGLBSA-N 1 0 376.242 1.662 20 0 GDADRO C[S@@](=O)C1(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC[NH2+]CC1 ZINC000876571397 656615130 /nfs/dbraw/zinc/61/51/30/656615130.db2.gz KGWGXPYOZZKZQY-RUZDIDTESA-N 1 0 383.901 1.906 20 0 GDADRO COC[C@@]1(C(=O)NCCc2ccc(Br)cc2F)C[NH2+]CCO1 ZINC000876653695 656621568 /nfs/dbraw/zinc/62/15/68/656621568.db2.gz TXXFMMKAORGWFZ-OAHLLOKOSA-N 1 0 375.238 1.252 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)ccc1F ZINC000876676051 656623552 /nfs/dbraw/zinc/62/35/52/656623552.db2.gz JKIJOHZAYWYDIC-QMTHXVAHSA-N 1 0 375.441 1.789 20 0 GDADRO CCOP(=O)(CCCN1CCN(C(=O)C[NH+]2CCCC2)CC1)OCC ZINC000876685959 656624236 /nfs/dbraw/zinc/62/42/36/656624236.db2.gz YDDGTSSETOGWHI-UHFFFAOYSA-N 1 0 375.450 1.883 20 0 GDADRO Cc1cc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)ccc1N1CCSCC1 ZINC000876745061 656627624 /nfs/dbraw/zinc/62/76/24/656627624.db2.gz YOGOWOUHWQJCLU-VWLOTQADSA-N 1 0 381.567 1.987 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000876789529 656630954 /nfs/dbraw/zinc/63/09/54/656630954.db2.gz YZYSPOATQTYFBI-LLVKDONJSA-N 1 0 388.253 1.629 20 0 GDADRO COC[C@@]1(C(=O)N[C@H](C)c2ccc(Br)cc2OC)C[NH2+]CCO1 ZINC000876889634 656637056 /nfs/dbraw/zinc/63/70/56/656637056.db2.gz PLFBDOWPDRNSDL-BDJLRTHQSA-N 1 0 387.274 1.640 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)C2=O)ccc1Br ZINC000876893323 656637519 /nfs/dbraw/zinc/63/75/19/656637519.db2.gz GIADUNPJRZTALW-CQDKDKBSSA-N 1 0 398.276 1.927 20 0 GDADRO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCn2c(Br)cnc2C1 ZINC000876897598 656638093 /nfs/dbraw/zinc/63/80/93/656638093.db2.gz KMAWCASGRPBVPK-BLLLJJGKSA-N 1 0 393.285 1.920 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000876919012 656639852 /nfs/dbraw/zinc/63/98/52/656639852.db2.gz QZKUXYDJHZBLAE-OAHLLOKOSA-N 1 0 376.254 1.784 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CCCN(C)S(C)(=O)=O)cc1Br ZINC000876929437 656640893 /nfs/dbraw/zinc/64/08/93/656640893.db2.gz XALSWMIALKRRRT-UHFFFAOYSA-N 1 0 393.303 1.607 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Cn3ccc(Br)cc3=O)C2)C1 ZINC000876945270 656641900 /nfs/dbraw/zinc/64/19/00/656641900.db2.gz WSJQYFKEMRNQNF-YUELXQCFSA-N 1 0 398.301 1.356 20 0 GDADRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCNC(=O)c1ccc(Br)cn1 ZINC000876959367 656642530 /nfs/dbraw/zinc/64/25/30/656642530.db2.gz RBGZVENPTWQQLK-MJRJWQSSSA-N 1 0 381.274 1.246 20 0 GDADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000876974884 656643499 /nfs/dbraw/zinc/64/34/99/656643499.db2.gz WQSBNAJFHWWSIG-LBPRGKRZSA-N 1 0 378.292 1.366 20 0 GDADRO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876973713 656643606 /nfs/dbraw/zinc/64/36/06/656643606.db2.gz NYXAQQFHRUZQKF-ZIAGYGMSSA-N 1 0 383.290 1.663 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000876985855 656644264 /nfs/dbraw/zinc/64/42/64/656644264.db2.gz RWVYYLPEAHERTL-UHFFFAOYSA-N 1 0 388.555 1.678 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000877003148 656645246 /nfs/dbraw/zinc/64/52/46/656645246.db2.gz MUQALHVSXBHPGK-OAHLLOKOSA-N 1 0 383.901 1.894 20 0 GDADRO [NH3+]C1(CNC(=O)c2cnn(-c3ccccc3)c2Br)CCOCC1 ZINC000877014474 656646323 /nfs/dbraw/zinc/64/63/23/656646323.db2.gz CBFGQJXKKYUBJA-UHFFFAOYSA-N 1 0 379.258 1.873 20 0 GDADRO C[NH2+]CCOCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000877025429 656647190 /nfs/dbraw/zinc/64/71/90/656647190.db2.gz KHBXXTQZRPYVPQ-UHFFFAOYSA-N 1 0 391.921 1.383 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000877104057 656653252 /nfs/dbraw/zinc/65/32/52/656653252.db2.gz ARGFDIKFLUVVEN-NSHDSACASA-N 1 0 377.304 1.809 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000877100272 656653328 /nfs/dbraw/zinc/65/33/28/656653328.db2.gz SIJVNHAZKVAVCG-SNVBAGLBSA-N 1 0 377.304 1.807 20 0 GDADRO CCn1ncc(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1Br ZINC000877116243 656654401 /nfs/dbraw/zinc/65/44/01/656654401.db2.gz SZAJGGQIDIAMBB-CYBMUJFWSA-N 1 0 385.306 1.896 20 0 GDADRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000877123026 656654631 /nfs/dbraw/zinc/65/46/31/656654631.db2.gz DGNJBPCMNRWLDI-YJBOKZPZSA-N 1 0 392.297 1.620 20 0 GDADRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000877123077 656654692 /nfs/dbraw/zinc/65/46/92/656654692.db2.gz FZVOOHYCGUGORD-IUODEOHRSA-N 1 0 380.286 1.618 20 0 GDADRO Cn1cc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)c(Br)n1 ZINC000924557870 656658248 /nfs/dbraw/zinc/65/82/48/656658248.db2.gz ULRJYZLPGKLKQR-UHFFFAOYSA-N 1 0 386.294 1.189 20 0 GDADRO [NH3+]CC12CCC(CC1)N2C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000877186778 656659368 /nfs/dbraw/zinc/65/93/68/656659368.db2.gz UUADYWWOMJCLRG-UHFFFAOYSA-N 1 0 392.308 1.754 20 0 GDADRO CC[C@@H]1CN(C(=O)NCc2cn(C)nc2Br)CC[N@@H+]1C[C@H](C)O ZINC000924558822 656659453 /nfs/dbraw/zinc/65/94/53/656659453.db2.gz LQQSZJFTKIJLGP-WCQYABFASA-N 1 0 388.310 1.169 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)cc1-n1cnnn1)C1CC[NH2+]CC1 ZINC000877254668 656660822 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386.342 1.892 20 0 GDADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cccn2c(I)cnc12 ZINC000877393527 656672740 /nfs/dbraw/zinc/67/27/40/656672740.db2.gz ZJAMSRIHWBMXRM-IAQYHMDHSA-N 1 0 396.232 1.953 20 0 GDADRO Cc1cc(Br)cn2cc(CCN3C(=O)N[C@H](C[NH+](C)C)C3=O)nc12 ZINC000924757050 656673284 /nfs/dbraw/zinc/67/32/84/656673284.db2.gz QAIGCDJQUAKPMZ-CYBMUJFWSA-N 1 0 394.273 1.430 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877400894 656673746 /nfs/dbraw/zinc/67/37/46/656673746.db2.gz XEZPSEWJZNEUGJ-PBHICJAKSA-N 1 0 383.539 1.476 20 0 GDADRO COc1cc(Br)ccc1CCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924775173 656673934 /nfs/dbraw/zinc/67/39/34/656673934.db2.gz XUBFYDORDVRESI-CYBMUJFWSA-N 1 0 384.274 1.872 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000877515431 656678093 /nfs/dbraw/zinc/67/80/93/656678093.db2.gz DVSCTZFQJXMHAR-OAHLLOKOSA-N 1 0 375.535 1.647 20 0 GDADRO CCOC(=O)N1CCC(C)(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000877514572 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382.555 1.785 20 0 GDADRO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cc(Br)ncc1F ZINC000925789121 656719072 /nfs/dbraw/zinc/71/90/72/656719072.db2.gz OXMFCYXTCZEOSA-UWVGGRQHSA-N 1 0 380.283 1.411 20 0 GDADRO COC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)c2cc(Br)no2)CC1 ZINC000878457239 656726069 /nfs/dbraw/zinc/72/60/69/656726069.db2.gz UQIOLCXCQFMZPN-GXSJLCMTSA-N 1 0 376.251 1.927 20 0 GDADRO CS(=O)(=O)Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000925995184 656729786 /nfs/dbraw/zinc/72/97/86/656729786.db2.gz JIMGCMHPHPDXKT-STQMWFEESA-N 1 0 379.404 1.975 20 0 GDADRO O=C(CN1CCCCS1(=O)=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000878539273 656731241 /nfs/dbraw/zinc/73/12/41/656731241.db2.gz VIOJGKGGGNCLLS-UHFFFAOYSA-N 1 0 383.539 1.600 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1nn(C)cc1Br)C2 ZINC000926147649 656739087 /nfs/dbraw/zinc/73/90/87/656739087.db2.gz NUGVNYMPHIHPQN-ZNEHSRBWSA-N 1 0 385.306 1.392 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)C2 ZINC000926167645 656739529 /nfs/dbraw/zinc/73/95/29/656739529.db2.gz USWIHJJPYOMRJX-LGWLGOQQSA-N 1 0 386.539 1.361 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cnn(C)c1Br)C2 ZINC000926162018 656739640 /nfs/dbraw/zinc/73/96/40/656739640.db2.gz OZARXFKITJKRTR-FOCJUVANSA-N 1 0 385.306 1.392 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)C2 ZINC000926167647 656739723 /nfs/dbraw/zinc/73/97/23/656739723.db2.gz USWIHJJPYOMRJX-SMKXDYDZSA-N 1 0 386.539 1.361 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cn1cc(Br)cn1)C2 ZINC000926177931 656740231 /nfs/dbraw/zinc/74/02/31/656740231.db2.gz NTOUORSWOZCYOB-RRCSTGOVSA-N 1 0 385.306 1.242 20 0 GDADRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000926213171 656741502 /nfs/dbraw/zinc/74/15/02/656741502.db2.gz GJSYGGSRXQRHRZ-KBPBESRZSA-N 1 0 375.535 1.503 20 0 GDADRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000926213175 656741538 /nfs/dbraw/zinc/74/15/38/656741538.db2.gz GJSYGGSRXQRHRZ-KGLIPLIRSA-N 1 0 375.535 1.503 20 0 GDADRO NC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2cc(Br)no2)C[C@H]1c1ccccc1 ZINC000878711682 656743952 /nfs/dbraw/zinc/74/39/52/656743952.db2.gz MVUDMLGQDSRQCK-YNEHKIRRSA-N 1 0 380.242 1.671 20 0 GDADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000926361778 656750021 /nfs/dbraw/zinc/75/00/21/656750021.db2.gz NYPFPLKPROZVBG-LLVKDONJSA-N 1 0 398.276 1.670 20 0 GDADRO C[NH+]1CCC(NC(=O)CN2CCOc3cccc(Br)c3C2)CC1 ZINC000878846135 656753202 /nfs/dbraw/zinc/75/32/02/656753202.db2.gz IOBIIFPUSUVAEJ-UHFFFAOYSA-N 1 0 382.302 1.854 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N1CCC[C@H](C[NH3+])C1)CC2 ZINC000926438845 656755418 /nfs/dbraw/zinc/75/54/18/656755418.db2.gz BLPINYJXPDWCGK-CYBMUJFWSA-N 1 0 394.313 1.840 20 0 GDADRO Cn1ncc(Br)c1CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000878894088 656757170 /nfs/dbraw/zinc/75/71/70/656757170.db2.gz SSIIUXSSPNLQHW-GFCCVEGCSA-N 1 0 385.306 1.342 20 0 GDADRO C[C@H]([NH2+]Cc1nn(C)cc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000926523423 656761762 /nfs/dbraw/zinc/76/17/62/656761762.db2.gz YAQLMFDPWQXDNZ-JTQLQIEISA-N 1 0 379.324 1.332 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000878945635 656762431 /nfs/dbraw/zinc/76/24/31/656762431.db2.gz PMBRYYCIZWYQKP-UHFFFAOYSA-N 1 0 398.349 1.211 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N2CCCC[C@H]2C[NH+](C)C)cs1)C(N)=O ZINC000879019674 656767929 /nfs/dbraw/zinc/76/79/29/656767929.db2.gz XMPFCJYOLYSCNV-KBPBESRZSA-N 1 0 384.571 1.984 20 0 GDADRO CC(C)CN(CC[NH+](C)C)C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 ZINC000879203113 656782185 /nfs/dbraw/zinc/78/21/85/656782185.db2.gz YKYWFINJXHUMCC-CQSZACIVSA-N 1 0 387.571 1.634 20 0 GDADRO CS[C@@H]1CN(C(=O)Cc2csc(S[C@H](C)C(N)=O)n2)C[C@H]1[NH+](C)C ZINC000879308452 656787312 /nfs/dbraw/zinc/78/73/12/656787312.db2.gz OTGYTSXTQBUVBA-YUSALJHKSA-N 1 0 388.584 1.156 20 0 GDADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927025226 656787639 /nfs/dbraw/zinc/78/76/39/656787639.db2.gz FAASJFJPSCSRIX-WFASDCNBSA-N 1 0 376.906 1.072 20 0 GDADRO CS(=O)(=O)C[C@@H](O)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000927033063 656788272 /nfs/dbraw/zinc/78/82/72/656788272.db2.gz RLYFFIZKYOAQKE-WCQYABFASA-N 1 0 378.288 1.658 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2c(Br)cnn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000879343302 656788759 /nfs/dbraw/zinc/78/87/59/656788759.db2.gz OXTMKGBUSJWUMP-UKRRQHHQSA-N 1 0 398.349 1.210 20 0 GDADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000927042008 656788694 /nfs/dbraw/zinc/78/86/94/656788694.db2.gz TXZYGNJYJUHEPA-NDNKKMJESA-N 1 0 375.487 1.988 20 0 GDADRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000879469934 656796395 /nfs/dbraw/zinc/79/63/95/656796395.db2.gz HHISOQMKMWLEAM-ZDUSSCGKSA-N 1 0 398.305 1.896 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC000879701724 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ZINC000882086783 657039869 /nfs/dbraw/zinc/03/98/69/657039869.db2.gz YDVSSECHFYXWQI-VOIUYBSRSA-N 1 0 388.559 1.306 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)N(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000882109879 657044747 /nfs/dbraw/zinc/04/47/47/657044747.db2.gz MQSDPEKFTNTITP-XMMPIXPASA-N 1 0 388.559 1.651 20 0 GDADRO O[C@H](C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)C[C@@]1(O)CCOC1 ZINC000930901400 657058107 /nfs/dbraw/zinc/05/81/07/657058107.db2.gz LTEVOSOOAWELSY-DZKIICNBSA-N 1 0 387.274 1.200 20 0 GDADRO C[C@]1(CCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C[C@@]1(F)Cl ZINC000930937713 657059975 /nfs/dbraw/zinc/05/99/75/657059975.db2.gz AYANLQVXPILNLO-COXVUDFISA-N 1 0 375.872 1.177 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@H]1CC(=O)NC1=O ZINC000930981196 657063304 /nfs/dbraw/zinc/06/33/04/657063304.db2.gz SZNFQJWSIBPNFR-CYBMUJFWSA-N 1 0 396.285 1.392 20 0 GDADRO NC(=O)[C@H]1C[NH+](CCCCOc2ccc(Br)cc2)C[C@@H]1C(N)=O ZINC000931054227 657068294 /nfs/dbraw/zinc/06/82/94/657068294.db2.gz BIYMODAYJJLNRB-KBPBESRZSA-N 1 0 384.274 1.127 20 0 GDADRO CN1CCC([NH+]2CCC(NC(=O)c3cc(=O)[nH]cc3Br)CC2)CC1 ZINC000931216074 657080927 /nfs/dbraw/zinc/08/09/27/657080927.db2.gz BPXXYAGAYAZCSP-UHFFFAOYSA-N 1 0 397.317 1.838 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000931229314 657083951 /nfs/dbraw/zinc/08/39/51/657083951.db2.gz NLUDHMBWQPDMNO-UONOGXRCSA-N 1 0 380.432 1.752 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H](CC[N@@H+]2CCCC[C@@H]2CS(N)(=O)=O)C1 ZINC000931231129 657085083 /nfs/dbraw/zinc/08/50/83/657085083.db2.gz HRAXQJTZYAWBSV-HUUCEWRRSA-N 1 0 375.535 1.777 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CCO1 ZINC000882422692 657118557 /nfs/dbraw/zinc/11/85/57/657118557.db2.gz RBOPVNDFDSXHRV-IZHWHUGBSA-N 1 0 395.591 1.704 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000931671400 657119254 /nfs/dbraw/zinc/11/92/54/657119254.db2.gz GMCBIGCBLRATGV-CYBMUJFWSA-N 1 0 397.321 1.422 20 0 GDADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cnn(C)c1Br ZINC000882431923 657119829 /nfs/dbraw/zinc/11/98/29/657119829.db2.gz KFKVXCINUTXZET-VXGBXAGGSA-N 1 0 393.351 1.924 20 0 GDADRO CO[C@@]1(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CCSC1 ZINC000931863501 657133343 /nfs/dbraw/zinc/13/33/43/657133343.db2.gz GSHUWLDKXPNYOP-QGZVFWFLSA-N 1 0 385.555 1.277 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000882499770 657135133 /nfs/dbraw/zinc/13/51/33/657135133.db2.gz JWRXEZRQAKECNA-UHFFFAOYSA-N 1 0 385.917 1.949 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1(C)C ZINC000931994280 657144057 /nfs/dbraw/zinc/14/40/57/657144057.db2.gz OUNHFIDSCHMQLY-KGLIPLIRSA-N 1 0 375.535 1.503 20 0 GDADRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000882617988 657160275 /nfs/dbraw/zinc/16/02/75/657160275.db2.gz CTMXXRLJHUWWJX-UHFFFAOYSA-N 1 0 392.587 1.624 20 0 GDADRO COC(=O)Cn1cc(CC[NH2+][C@H]2CCOc3ccc(Br)cc32)nn1 ZINC000932207266 657160300 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CC[NH+]1CCN([C@H](C)CNC(=O)c2cnn3cccc(Br)c23)CC1 ZINC000932703363 657211370 /nfs/dbraw/zinc/21/13/70/657211370.db2.gz NKWPIMUIFUTKLI-CYBMUJFWSA-N 1 0 394.317 1.853 20 0 GDADRO C[C@@H](CNC(=O)c1cc2cc(Br)cnc2n1C)N1CC[NH+](C)CC1 ZINC000932724044 657214282 /nfs/dbraw/zinc/21/42/82/657214282.db2.gz WYEMFVLDFWNAET-LBPRGKRZSA-N 1 0 394.317 1.702 20 0 GDADRO C[C@H](CNC(=O)c1cnn2cccc(Br)c12)N1CC[NH+](C)CC1 ZINC000932723200 657214470 /nfs/dbraw/zinc/21/44/70/657214470.db2.gz LLJMYJHCGQDCKP-GFCCVEGCSA-N 1 0 380.290 1.463 20 0 GDADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932809857 657223827 /nfs/dbraw/zinc/22/38/27/657223827.db2.gz PKGLPVGGHJTARU-KRWDZBQOSA-N 1 0 399.285 1.412 20 0 GDADRO O=C1NC[C@H](O)CC12CC[NH+](CCOc1cccc(Br)c1)CC2 ZINC000932842904 657227608 /nfs/dbraw/zinc/22/76/08/657227608.db2.gz DSIHGIDSACWEMD-CQSZACIVSA-N 1 0 383.286 1.791 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(Br)[nH]c3=O)CC2)C1 ZINC000932915310 657230751 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1.343 20 0 GDADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CCCOC1 ZINC000883220586 657277759 /nfs/dbraw/zinc/27/77/59/657277759.db2.gz MHJVETLNXXKILC-SWLSCSKDSA-N 1 0 394.896 1.789 20 0 GDADRO C[C@H]1CN(C(=O)C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)CCO1 ZINC000933436837 657280579 /nfs/dbraw/zinc/28/05/79/657280579.db2.gz IEMKSMJBKCTORZ-GUYCJALGSA-N 1 0 385.302 1.580 20 0 GDADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC000933438013 657280978 /nfs/dbraw/zinc/28/09/78/657280978.db2.gz CDEUOOOPJWNDHW-INIZCTEOSA-N 1 0 392.257 1.263 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)[C@@](C)(O)c1ccc(F)c(Br)c1 ZINC000933491375 657283792 /nfs/dbraw/zinc/28/37/92/657283792.db2.gz MRVPSCVAYLNZIY-INIZCTEOSA-N 1 0 391.281 1.880 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c(Br)n1 ZINC000883371575 657283807 /nfs/dbraw/zinc/28/38/07/657283807.db2.gz PQAILSLQHPLUES-OAHLLOKOSA-N 1 0 386.338 1.069 20 0 GDADRO COc1cc([C@@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)ccc1S(=O)(=O)C(F)F ZINC000883374329 657284598 /nfs/dbraw/zinc/28/45/98/657284598.db2.gz YEMRQILGSSRHBL-YUSALJHKSA-N 1 0 397.465 1.918 20 0 GDADRO O=C(N1CC[C@@H](C[NH+]2CCOCC2)C1)C1(n2cc(Br)cn2)CC1 ZINC000933546908 657286553 /nfs/dbraw/zinc/28/65/53/657286553.db2.gz VOZFYFXBSOSAQD-ZDUSSCGKSA-N 1 0 383.290 1.315 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)C1 ZINC000933712942 657300621 /nfs/dbraw/zinc/30/06/21/657300621.db2.gz BQMMAETUISCPPO-NWDGAFQWSA-N 1 0 378.420 1.566 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cscc2Br)C1 ZINC000883640627 657303265 /nfs/dbraw/zinc/30/32/65/657303265.db2.gz UUSJCYZCHXXCMD-NSHDSACASA-N 1 0 388.331 1.927 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000883641070 657303281 /nfs/dbraw/zinc/30/32/81/657303281.db2.gz GRXDJXNDNSAKPZ-GHMZBOCLSA-N 1 0 378.267 1.367 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)CC1 ZINC000884040381 657321798 /nfs/dbraw/zinc/32/17/98/657321798.db2.gz RQKYBRVXLVHSQF-CQSZACIVSA-N 1 0 384.571 1.890 20 0 GDADRO COCC[C@@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000884096033 657324264 /nfs/dbraw/zinc/32/42/64/657324264.db2.gz HVJGCXBULODVIS-OAHLLOKOSA-N 1 0 385.302 1.977 20 0 GDADRO [NH3+][C@H](CC1CC1)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000884112376 657326462 /nfs/dbraw/zinc/32/64/62/657326462.db2.gz KLPXKZIPJNFJDD-OAHLLOKOSA-N 1 0 380.286 1.861 20 0 GDADRO [NH3+][C@@H](CC1CC1)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000884153085 657330893 /nfs/dbraw/zinc/33/08/93/657330893.db2.gz BYSXFQMEJCRISS-HNNXBMFYSA-N 1 0 385.555 1.709 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cs1)C(N)=O ZINC000884280095 657341904 /nfs/dbraw/zinc/34/19/04/657341904.db2.gz BGKQGXULPJRQNG-DYVFJYSZSA-N 1 0 382.555 1.644 20 0 GDADRO O=C(COCCc1ccc(Br)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000884288359 657342860 /nfs/dbraw/zinc/34/28/60/657342860.db2.gz CVJZSFCJDKUPRN-KRWDZBQOSA-N 1 0 396.329 1.514 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000884334978 657348296 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1.877 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934369302 657356969 /nfs/dbraw/zinc/35/69/69/657356969.db2.gz ITUZXHPFWBOXKE-UHFFFAOYSA-N 1 0 387.326 1.986 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000884509959 657361907 /nfs/dbraw/zinc/36/19/07/657361907.db2.gz VKBSPRCGPHEEBB-MFKMUULPSA-N 1 0 386.265 1.585 20 0 GDADRO C[C@@](CO)([NH2+]CC1CN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000934496751 657363326 /nfs/dbraw/zinc/36/33/26/657363326.db2.gz ZRACFVYRRPODAY-AWEZNQCLSA-N 1 0 377.304 1.138 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934497025 657363555 /nfs/dbraw/zinc/36/35/55/657363555.db2.gz POWNVHHNJLJFRY-AWEZNQCLSA-N 1 0 379.320 1.576 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000884548522 657364395 /nfs/dbraw/zinc/36/43/95/657364395.db2.gz MQJNWZAGFLSKJV-SECBINFHSA-N 1 0 378.420 1.673 20 0 GDADRO COC[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000884675614 657370539 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O=C(NCCSCCC(F)(F)F)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000884715739 657374756 /nfs/dbraw/zinc/37/47/56/657374756.db2.gz CTQPKHXTVAYXMF-UHFFFAOYSA-N 1 0 375.416 1.708 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C2 ZINC000884717333 657374990 /nfs/dbraw/zinc/37/49/90/657374990.db2.gz ZBNWUFWPQYMYRZ-LRDDRELGSA-N 1 0 394.313 1.756 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)CC[NH2+]1 ZINC000884717659 657375094 /nfs/dbraw/zinc/37/50/94/657375094.db2.gz ICYYBKNZTVHUGD-NXEZZACHSA-N 1 0 375.803 1.814 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000884729056 657376291 /nfs/dbraw/zinc/37/62/91/657376291.db2.gz GWBDLJOFAWGYDR-RYUDHWBXSA-N 1 0 382.302 1.839 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000884726442 657376324 /nfs/dbraw/zinc/37/63/24/657376324.db2.gz SKVASXQMILWWPD-RBSFLKMASA-N 1 0 394.313 1.878 20 0 GDADRO COC[C@H](NC(=O)C(=O)NCCC1(C[NH3+])CC1)c1cccc(Br)c1 ZINC000884750845 657377117 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MOFOIGJEUCICEF-GJZGRUSLSA-N 1 0 383.286 1.886 20 0 GDADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889774047 658037217 /nfs/dbraw/zinc/03/72/17/658037217.db2.gz MAXBVVUJBGJZNC-UONOGXRCSA-N 1 0 397.269 1.849 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000889813939 658050253 /nfs/dbraw/zinc/05/02/53/658050253.db2.gz RPPBMJHZLTXVIK-CWSCBRNRSA-N 1 0 381.274 1.696 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@](C)(CO)c2cccc(Br)c2)C1 ZINC000890629954 658131589 /nfs/dbraw/zinc/13/15/89/658131589.db2.gz HMZPUWYJBLYQDF-DLBZAZTESA-N 1 0 385.302 1.620 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)c1ccccc1I ZINC000891327437 658228268 /nfs/dbraw/zinc/22/82/68/658228268.db2.gz XIUPPFFVWLMNGD-UONOGXRCSA-N 1 0 388.249 1.925 20 0 GDADRO [NH3+]CC12CCC(CC1)N2C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000891474670 658243320 /nfs/dbraw/zinc/24/33/20/658243320.db2.gz ZPCRWNNEYXWCSI-UHFFFAOYSA-N 1 0 395.301 1.844 20 0 GDADRO C[NH+]1CCC(NC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000891524245 658247130 /nfs/dbraw/zinc/24/71/30/658247130.db2.gz JKWYXJMWTSJDQQ-LBPRGKRZSA-N 1 0 382.262 1.101 20 0 GDADRO C[C@@]1(Br)C[C@@H]1C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000891588308 658253350 /nfs/dbraw/zinc/25/33/50/658253350.db2.gz XEZGJDXPEFBRHZ-IUODEOHRSA-N 1 0 388.331 1.630 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891708258 658268126 /nfs/dbraw/zinc/26/81/26/658268126.db2.gz PJAHPVVOPKJNEU-QMTHXVAHSA-N 1 0 392.934 1.264 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000891864645 658278711 /nfs/dbraw/zinc/27/87/11/658278711.db2.gz HPQCPXFUZVLPSB-JTQLQIEISA-N 1 0 381.470 1.586 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000892001091 658289739 /nfs/dbraw/zinc/28/97/39/658289739.db2.gz DSHAQTQPQXZKMM-CQSZACIVSA-N 1 0 381.274 1.165 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000892055637 658294249 /nfs/dbraw/zinc/29/42/49/658294249.db2.gz KZAULJRXHOCQNZ-LBPRGKRZSA-N 1 0 383.290 1.540 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H](c2nccs2)C1 ZINC000892108442 658296264 /nfs/dbraw/zinc/29/62/64/658296264.db2.gz SKJSOQMHPHBVPZ-VXGBXAGGSA-N 1 0 377.436 1.478 20 0 GDADRO CCOC(=O)c1ncc(Br)c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000892141732 658298564 /nfs/dbraw/zinc/29/85/64/658298564.db2.gz CKFCEWSBSVQEGJ-GHMZBOCLSA-N 1 0 385.262 1.113 20 0 GDADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000892180469 658302744 /nfs/dbraw/zinc/30/27/44/658302744.db2.gz NYAGNUBNCYRJMR-UKRRQHHQSA-N 1 0 392.283 1.363 20 0 GDADRO C[N@H+](CCO)CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000892213868 658309926 /nfs/dbraw/zinc/30/99/26/658309926.db2.gz LMLQBINEYIZQOW-LBPRGKRZSA-N 1 0 381.782 1.100 20 0 GDADRO COC[C@@H](NC(=O)NCC1([NH3+])CCOCC1)c1cccc(Br)c1 ZINC000892278717 658314923 /nfs/dbraw/zinc/31/49/23/658314923.db2.gz BFBJIAMWKHTOAA-CQSZACIVSA-N 1 0 386.290 1.944 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 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COc1c(Br)ccc(F)c1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896534168 658785968 /nfs/dbraw/zinc/78/59/68/658785968.db2.gz KVEPMVWDOQCVBR-GWCFXTLKSA-N 1 0 388.281 1.961 20 0 GDADRO C[C@@H](NC(=O)C1(c2cncc(Br)c2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896543810 658787757 /nfs/dbraw/zinc/78/77/57/658787757.db2.gz ZMWCJDVHNAHYLX-IUODEOHRSA-N 1 0 381.318 1.626 20 0 GDADRO C[C@@H](NC(=O)CN1C(=S)N=NC1c1cccs1)[C@H]1C[N@H+](C)CCN1C ZINC000896578317 658791158 /nfs/dbraw/zinc/79/11/58/658791158.db2.gz XMRJIBYCLCZQEG-VXGBXAGGSA-N 1 0 380.543 1.046 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1c(C)[nH]nc1I ZINC000897631535 658876121 /nfs/dbraw/zinc/87/61/21/658876121.db2.gz ZNBDERPNZZIKFT-SNVBAGLBSA-N 1 0 376.242 1.879 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)N2CCCC2)C1 ZINC000897830903 658893428 /nfs/dbraw/zinc/89/34/28/658893428.db2.gz UYWKRUBUNCPPPO-KGLIPLIRSA-N 1 0 382.473 1.759 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)s1 ZINC000898023702 658911310 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C[N@H+](CCO)CCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000899732077 659055727 /nfs/dbraw/zinc/05/57/27/659055727.db2.gz UMFWWAVTTAWAPA-OAHLLOKOSA-N 1 0 388.295 1.638 20 0 GDADRO CN1C(=O)C[C@H](C(=O)NCC[N@H+](C)CCO)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000899738062 659057452 /nfs/dbraw/zinc/05/74/52/659057452.db2.gz QBHJGYPTUARJTF-BLLLJJGKSA-N 1 0 388.295 1.553 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC000899811632 659060865 /nfs/dbraw/zinc/06/08/65/659060865.db2.gz WSZVHJTVPDZWAZ-LBPRGKRZSA-N 1 0 380.495 1.402 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000899982538 659081134 /nfs/dbraw/zinc/08/11/34/659081134.db2.gz NQNIJXUDCCBUED-CQSZACIVSA-N 1 0 385.555 1.807 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)Cn1nc(Br)c(Br)n1 ZINC000900008752 659083172 /nfs/dbraw/zinc/08/31/72/659083172.db2.gz BEEMPVSAFIDZDN-UHFFFAOYSA-N 1 0 397.115 1.507 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000900365374 659101955 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C[NH+](C)CCN(CC(=O)[O-])C(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000900454370 659109452 /nfs/dbraw/zinc/10/94/52/659109452.db2.gz SIGSYZRCUQTWFO-AWEZNQCLSA-N 1 0 386.290 1.184 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc2ncc(Br)cn2n1 ZINC000900586213 659124179 /nfs/dbraw/zinc/12/41/79/659124179.db2.gz KUHPNXHNUBFETJ-CYBMUJFWSA-N 1 0 396.289 1.675 20 0 GDADRO NS(=O)(=O)c1ccc(SCC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000900627281 659128585 /nfs/dbraw/zinc/12/85/85/659128585.db2.gz YWPGNNZWFKYQNU-AWEZNQCLSA-N 1 0 383.539 1.513 20 0 GDADRO CCn1c(Br)ncc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900668678 659132831 /nfs/dbraw/zinc/13/28/31/659132831.db2.gz FOOLGFZRPUADGV-AWEZNQCLSA-N 1 0 398.349 1.906 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)Cn1nc(Br)c(Br)n1 ZINC000900695670 659138313 /nfs/dbraw/zinc/13/83/13/659138313.db2.gz UQPFHQUMKJBFNS-ZETCQYMHSA-N 1 0 383.088 1.260 20 0 GDADRO C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)[C@H]1C[N@H+](C)CCN1C ZINC000900808280 659148259 /nfs/dbraw/zinc/14/82/59/659148259.db2.gz WKMDWYVDDGDTAZ-WCQYABFASA-N 1 0 376.448 1.943 20 0 GDADRO CC[NH+]1CCN(CCC(=O)N[C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000900933959 659170945 /nfs/dbraw/zinc/17/09/45/659170945.db2.gz QAMFWPDXGUBTGH-ZDUSSCGKSA-N 1 0 384.322 1.104 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2cc3ncc(Br)cn3n2)CCSC1 ZINC000900946381 659172733 /nfs/dbraw/zinc/17/27/33/659172733.db2.gz QWBCPKFYXIIMIX-AWEZNQCLSA-N 1 0 384.303 1.659 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000901273049 659207035 /nfs/dbraw/zinc/20/70/35/659207035.db2.gz NMQOSOZDKVQXAF-ZIAGYGMSSA-N 1 0 398.349 1.764 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)CCN1CC(F)(F)F ZINC000901729905 659231229 /nfs/dbraw/zinc/23/12/29/659231229.db2.gz UVVZAKRXEAUYRE-RKDXNWHRSA-N 1 0 381.196 1.713 20 0 GDADRO O=C1[C@@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)CCN1CC(F)(F)F ZINC000901729900 659231275 /nfs/dbraw/zinc/23/12/75/659231275.db2.gz UVVZAKRXEAUYRE-IUCAKERBSA-N 1 0 381.196 1.713 20 0 GDADRO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4ncc(Br)n4C3)C2=O)cn1 ZINC000901730868 659231937 /nfs/dbraw/zinc/23/19/37/659231937.db2.gz YEWCDTQFYDOXRG-DGCLKSJQSA-N 1 0 393.289 1.479 20 0 GDADRO C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000902449258 659256429 /nfs/dbraw/zinc/25/64/29/659256429.db2.gz NGBPDDUZDAMRBM-DOMZBBRYSA-N 1 0 389.543 1.061 20 0 GDADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2CN1C(=S)N=NC1Cc1cccs1 ZINC000902641767 659269435 /nfs/dbraw/zinc/26/94/35/659269435.db2.gz AUJHETZLNSQAFW-LSDHHAIUSA-N 1 0 379.555 1.708 20 0 GDADRO O=c1oc2ccc(Br)cc2n1CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000902643244 659269464 /nfs/dbraw/zinc/26/94/64/659269464.db2.gz LIWQIDYQGCEHBI-KGLIPLIRSA-N 1 0 396.285 1.846 20 0 GDADRO CCS(=O)(=O)NC1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000903006284 659289158 /nfs/dbraw/zinc/28/91/58/659289158.db2.gz JWGVSVWTRXUGHD-OAHLLOKOSA-N 1 0 391.331 1.886 20 0 GDADRO O=S(=O)(NCC[NH2+][C@H]1CCO[C@@]12CCOC2)c1ccc(Cl)cc1F ZINC000903168217 659298427 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C[C@@H]1C[C@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC[NH2+]1 ZINC000903519359 659326895 /nfs/dbraw/zinc/32/68/95/659326895.db2.gz ZLOCOQCNEINTRU-MWLCHTKSSA-N 1 0 391.287 1.738 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)NCC2([NH3+])CC2)c1 ZINC000903524440 659329150 /nfs/dbraw/zinc/32/91/50/659329150.db2.gz NUZQWISZFLROAA-UHFFFAOYSA-N 1 0 391.287 1.704 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c(Br)c1 ZINC000903534783 659331964 /nfs/dbraw/zinc/33/19/64/659331964.db2.gz IIUAWUGDSZACTR-KOLCDFICSA-N 1 0 391.287 1.370 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903536697 659332384 /nfs/dbraw/zinc/33/23/84/659332384.db2.gz HOXBKSYVLIHZFL-PBHICJAKSA-N 1 0 386.539 1.599 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c(Cl)cc1Cl ZINC000903535893 659332524 /nfs/dbraw/zinc/33/25/24/659332524.db2.gz SITBGXLJBQAMNP-BDAKNGLRSA-N 1 0 381.281 1.914 20 0 GDADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c1 ZINC000903537906 659332841 /nfs/dbraw/zinc/33/28/41/659332841.db2.gz GUGHLNMOBLGGPI-UHFFFAOYSA-N 1 0 390.889 1.645 20 0 GDADRO COc1ncc(S(=O)(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1Cl ZINC000903544408 659335191 /nfs/dbraw/zinc/33/51/91/659335191.db2.gz QBNIGPNEPXTQNH-NSHDSACASA-N 1 0 375.878 1.181 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)/C=C\c1ccccc1Cl)C2 ZINC000903551316 659338297 /nfs/dbraw/zinc/33/82/97/659338297.db2.gz FFOLXEKVKWLCDD-DWLMZVQASA-N 1 0 384.885 1.853 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C[C@H]1CC[NH3+] ZINC000903556974 659340366 /nfs/dbraw/zinc/34/03/66/659340366.db2.gz IWASXNILIVQSDK-GHMZBOCLSA-N 1 0 379.404 1.793 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903561481 659341133 /nfs/dbraw/zinc/34/11/33/659341133.db2.gz XLQYCXMPOBOHEF-MVWJERBFSA-N 1 0 375.288 1.937 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000903561366 659341202 /nfs/dbraw/zinc/34/12/02/659341202.db2.gz PHVGZSMDLMGNGH-IVZWLZJFSA-N 1 0 384.401 1.151 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903572524 659344987 /nfs/dbraw/zinc/34/49/87/659344987.db2.gz VLLACHGRQKYBDU-MWLCHTKSSA-N 1 0 399.822 1.552 20 0 GDADRO CN(C)C(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903578004 659348296 /nfs/dbraw/zinc/34/82/96/659348296.db2.gz AMWWQTOXZXVIJW-QWHCGFSZSA-N 1 0 379.404 1.289 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)cn2)CC[C@@H]1C(F)(F)F ZINC000903578087 659348824 /nfs/dbraw/zinc/34/88/24/659348824.db2.gz BJBBIPUVEDZICY-DTWKUNHWSA-N 1 0 388.209 1.744 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903578659 659349537 /nfs/dbraw/zinc/34/95/37/659349537.db2.gz JITYGPBWBUKKDK-NEPJUHHUSA-N 1 0 384.351 1.513 20 0 GDADRO CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903579049 659349873 /nfs/dbraw/zinc/34/98/73/659349873.db2.gz LHBYUVUMCLMLRW-QWHCGFSZSA-N 1 0 379.404 1.854 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)C2 ZINC000903579640 659350236 /nfs/dbraw/zinc/35/02/36/659350236.db2.gz OKEVGUXDZFZYSF-AXFHLTTASA-N 1 0 377.388 1.688 20 0 GDADRO CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903579788 659350436 /nfs/dbraw/zinc/35/04/36/659350436.db2.gz QLGGFOHSDUDDCL-KFWWJZLASA-N 1 0 380.432 1.785 20 0 GDADRO CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903579796 659350460 /nfs/dbraw/zinc/35/04/60/659350460.db2.gz QLGGFOHSDUDDCL-RBSFLKMASA-N 1 0 380.432 1.785 20 0 GDADRO CC(=O)Nc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1F ZINC000903579731 659350586 /nfs/dbraw/zinc/35/05/86/659350586.db2.gz PZRYUTQEMMDZRV-PWSUYJOCSA-N 1 0 383.367 1.684 20 0 GDADRO Cn1c2ccc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cc2oc1=O ZINC000903580093 659350767 /nfs/dbraw/zinc/35/07/67/659350767.db2.gz RYTIKWWEUYIEOP-NXEZZACHSA-N 1 0 379.360 1.032 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903580916 659351523 /nfs/dbraw/zinc/35/15/23/659351523.db2.gz ZTALNPPHSQJCQW-DTWKUNHWSA-N 1 0 386.417 1.743 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCc2ccc(Br)c(F)c2C1 ZINC000903587323 659355013 /nfs/dbraw/zinc/35/50/13/659355013.db2.gz SCYMYTRYZPRFHR-LLVKDONJSA-N 1 0 393.278 1.265 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903587582 659355097 /nfs/dbraw/zinc/35/50/97/659355097.db2.gz XILQXCOEABYCCW-GFCCVEGCSA-N 1 0 391.287 1.594 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903593400 659357139 /nfs/dbraw/zinc/35/71/39/659357139.db2.gz MLDMCZMGTSPKCC-AWEZNQCLSA-N 1 0 375.288 1.974 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cc1)C(F)(F)F ZINC000903593219 659357242 /nfs/dbraw/zinc/35/72/42/659357242.db2.gz LFWNPYWFWGPTEC-AWEZNQCLSA-N 1 0 377.388 1.704 20 0 GDADRO CN(C)[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000903605284 659361401 /nfs/dbraw/zinc/36/14/01/659361401.db2.gz FOBCOWHQSNFCCX-QHCPKHFHSA-N 1 0 398.938 1.512 20 0 GDADRO CCN(CCc1cccs1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903723486 659377807 /nfs/dbraw/zinc/37/78/07/659377807.db2.gz GGNGVAOMHCYVDC-OLZOCXBDSA-N 1 0 377.432 1.877 20 0 GDADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903719164 659377812 /nfs/dbraw/zinc/37/78/12/659377812.db2.gz IHPCKIXVOJTDSP-MNOVXSKESA-N 1 0 378.782 1.432 20 0 GDADRO CCN(CCc1nccs1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903754541 659379118 /nfs/dbraw/zinc/37/91/18/659379118.db2.gz KIQCDPFVIZCCSN-GHMZBOCLSA-N 1 0 378.420 1.272 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000903830679 659382455 /nfs/dbraw/zinc/38/24/55/659382455.db2.gz HVMRMGPSIPTXIB-CZUORRHYSA-N 1 0 384.318 1.937 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000903881804 659387514 /nfs/dbraw/zinc/38/75/14/659387514.db2.gz IYFLFOZRNXJIQS-KGLIPLIRSA-N 1 0 377.254 1.248 20 0 GDADRO COc1ncc(Br)cc1CNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903934436 659389897 /nfs/dbraw/zinc/38/98/97/659389897.db2.gz HGFHRQWBSLQRRR-CYBMUJFWSA-N 1 0 381.278 1.659 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000903968726 659390853 /nfs/dbraw/zinc/39/08/53/659390853.db2.gz NGPUPZHTQABOCN-MRXNPFEDSA-N 1 0 382.917 1.451 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(Cc3cccc(Cl)c3F)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904085297 659394647 /nfs/dbraw/zinc/39/46/47/659394647.db2.gz YPJDECGPMRZBAM-GMXVVIOVSA-N 1 0 385.848 1.628 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(Cc3ccc(F)cc3Cl)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904087683 659394994 /nfs/dbraw/zinc/39/49/94/659394994.db2.gz AOYWTYRRKGTOEM-JKOKRWQUSA-N 1 0 385.848 1.628 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3cnc4ccsc4c3)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904094957 659395214 /nfs/dbraw/zinc/39/52/14/659395214.db2.gz WHCWDAKANQOIKV-COPLHBTASA-N 1 0 376.463 1.521 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc(F)c1I ZINC000904394132 659399738 /nfs/dbraw/zinc/39/97/38/659399738.db2.gz PFTVSFKICKHHDW-VIFPVBQESA-N 1 0 393.200 1.882 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(CN3c4cc(Br)ccc4C(=O)C3=O)C[C@]2(C)C1 ZINC000904435261 659400784 /nfs/dbraw/zinc/40/07/84/659400784.db2.gz BETJSGGEUHNKAO-DIFFPNOSSA-N 1 0 378.270 1.819 20 0 GDADRO [NH3+]Cc1ccccc1NC(=O)N1CCn2ncc(I)c2C1 ZINC000904625098 659404653 /nfs/dbraw/zinc/40/46/53/659404653.db2.gz WHMYBEIRVHTELO-UHFFFAOYSA-N 1 0 397.220 1.994 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904970624 659415241 /nfs/dbraw/zinc/41/52/41/659415241.db2.gz LZXROXCJPHNGLK-UHFFFAOYSA-N 1 0 398.301 1.374 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000904972583 659415283 /nfs/dbraw/zinc/41/52/83/659415283.db2.gz LZUXRVGXFDCZJJ-BDJLRTHQSA-N 1 0 384.274 1.730 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905010207 659416828 /nfs/dbraw/zinc/41/68/28/659416828.db2.gz UTLORSZFUTXOFV-SJCJKPOMSA-N 1 0 398.276 1.886 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)s1 ZINC000905022899 659417309 /nfs/dbraw/zinc/41/73/09/659417309.db2.gz IFDMUEQBIXSRQZ-SECBINFHSA-N 1 0 382.376 1.694 20 0 GDADRO [NH3+]C1CCN(Cc2cn(C[C@H](O)c3ccc(Br)cc3)nn2)CC1 ZINC000905062598 659420322 /nfs/dbraw/zinc/42/03/22/659420322.db2.gz ZJMLMZLXKJYOJJ-INIZCTEOSA-N 1 0 380.290 1.697 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CCc2ccc(Cl)nc2)CCC1 ZINC000905170599 659428988 /nfs/dbraw/zinc/42/89/88/659428988.db2.gz QXVCNWAVWLZFHX-AWEZNQCLSA-N 1 0 389.949 1.869 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)s1 ZINC000905173331 659429234 /nfs/dbraw/zinc/42/92/34/659429234.db2.gz BQCPTNCZLFBAFJ-HZPDHXFCSA-N 1 0 384.523 1.409 20 0 GDADRO CN(CC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)S(=O)(=O)c1cccs1 ZINC000905177761 659429719 /nfs/dbraw/zinc/42/97/19/659429719.db2.gz PXPVMZMNFDIEPF-JTQLQIEISA-N 1 0 396.403 1.907 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000905179078 659430198 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GDADRO O=C1C[C@@H](CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CN1 ZINC000905589576 659467746 /nfs/dbraw/zinc/46/77/46/659467746.db2.gz ZJXUHTCQQNNWLV-PWSUYJOCSA-N 1 0 391.693 1.958 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)N1CCCC1 ZINC000905663933 659472793 /nfs/dbraw/zinc/47/27/93/659472793.db2.gz JGERDWLIGNEVLK-CQSZACIVSA-N 1 0 380.432 1.624 20 0 GDADRO [NH3+]C1CCN(Cc2cn(C[C@@H](O)c3cccc(Br)c3)nn2)CC1 ZINC000905817608 659484803 /nfs/dbraw/zinc/48/48/03/659484803.db2.gz AXWIOAQIIZYYOC-MRXNPFEDSA-N 1 0 380.290 1.697 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C)nc1I ZINC000906173597 659523754 /nfs/dbraw/zinc/52/37/54/659523754.db2.gz SGOOICHTIMEUPH-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO Cn1ccc(-n2cc(CN[C@@](C)(CO)c3ccc(Br)cc3)nn2)n1 ZINC000906303281 659530160 /nfs/dbraw/zinc/53/01/60/659530160.db2.gz WTPXKLHNBDCVDF-INIZCTEOSA-N 1 0 391.273 1.761 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn(C)nc1I ZINC000906389689 659536557 /nfs/dbraw/zinc/53/65/57/659536557.db2.gz OBNXXMHNLJNLMZ-GHMZBOCLSA-N 1 0 390.269 1.875 20 0 GDADRO CN1CCC([NH+]2CCC(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC2)CC1 ZINC000906465387 659544890 /nfs/dbraw/zinc/54/48/90/659544890.db2.gz JGIQTJMCDMMTNL-ZDUSSCGKSA-N 1 0 386.751 1.782 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C1 ZINC000906674915 659568644 /nfs/dbraw/zinc/56/86/44/659568644.db2.gz ABBCOXGFWAZPEC-WDEREUQCSA-N 1 0 381.889 1.781 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C1 ZINC000906687429 659571442 /nfs/dbraw/zinc/57/14/42/659571442.db2.gz XHNXTUQQPVDMQL-INIZCTEOSA-N 1 0 381.889 1.782 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000906707718 659574354 /nfs/dbraw/zinc/57/43/54/659574354.db2.gz VOHGJYRZUGJGPR-LBPRGKRZSA-N 1 0 384.274 1.819 20 0 GDADRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000906727287 659576927 /nfs/dbraw/zinc/57/69/27/659576927.db2.gz OAEYQETWLZQDIK-IACUBPJLSA-N 1 0 390.281 1.836 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C1 ZINC000906738249 659578334 /nfs/dbraw/zinc/57/83/34/659578334.db2.gz DWTNPTQLPXVYSI-AULYBMBSSA-N 1 0 382.917 1.685 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2I)C1 ZINC000906740408 659578864 /nfs/dbraw/zinc/57/88/64/659578864.db2.gz UKOQHKWVUFABLX-XWEPSHTISA-N 1 0 391.184 1.222 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)cc1C ZINC000906749061 659580940 /nfs/dbraw/zinc/58/09/40/659580940.db2.gz NFJGSENRFXDVEO-CYBMUJFWSA-N 1 0 384.274 1.533 20 0 GDADRO C[C@@H](NC(=O)C(F)(F)c1ncccc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000906777941 659585740 /nfs/dbraw/zinc/58/57/40/659585740.db2.gz KWZCRUCDDZNVQB-PWSUYJOCSA-N 1 0 391.260 1.686 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nc2I)C[C@H]1C ZINC000906780509 659586142 /nfs/dbraw/zinc/58/61/42/659586142.db2.gz QPBXCWRLRPPXTP-GHMZBOCLSA-N 1 0 390.269 1.970 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000906781050 659586768 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C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC000907065199 659657279 /nfs/dbraw/zinc/65/72/79/659657279.db2.gz LMXIIHSRFBLRCR-AWEZNQCLSA-N 1 0 390.303 1.521 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(I)s3)C[C@@H]2C1 ZINC000907163571 659686035 /nfs/dbraw/zinc/68/60/35/659686035.db2.gz XWXQZVNKUDEHHT-DTORHVGOSA-N 1 0 398.291 1.535 20 0 GDADRO C[NH+](C)C1CC(NS(=O)(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000907268983 659714454 /nfs/dbraw/zinc/71/44/54/659714454.db2.gz QUDDBKLIDYUQKH-UHFFFAOYSA-N 1 0 375.535 1.646 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907336078 659730065 /nfs/dbraw/zinc/73/00/65/659730065.db2.gz IGVRXIPEGVBBAS-YOEHRIQHSA-N 1 0 385.302 1.962 20 0 GDADRO C[C@@H](CCNC(=O)CSc1ccc(S(N)(=O)=O)cc1)[NH+]1CCCCC1 ZINC000907343548 659731865 /nfs/dbraw/zinc/73/18/65/659731865.db2.gz ANFXNEZNNZJJRY-AWEZNQCLSA-N 1 0 385.555 1.807 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)Cn1nc(Br)c(Br)n1 ZINC000907651007 659800204 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1.227 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000908403131 659905039 /nfs/dbraw/zinc/90/50/39/659905039.db2.gz CBBRKJQAFIYUBM-QGZVFWFLSA-N 1 0 375.535 1.743 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)C(F)(F)c1ncccc1Br ZINC000908525653 659923423 /nfs/dbraw/zinc/92/34/23/659923423.db2.gz HYBMFQLRDCIGCQ-NSHDSACASA-N 1 0 392.244 1.899 20 0 GDADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CSc1ccc(S(N)(=O)=O)cc1)C2 ZINC000908535253 659923663 /nfs/dbraw/zinc/92/36/63/659923663.db2.gz CKROJPODMOZGQO-QGZVFWFLSA-N 1 0 383.539 1.370 20 0 GDADRO COc1cc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cnc1Br ZINC000908600745 659926695 /nfs/dbraw/zinc/92/66/95/659926695.db2.gz RFMLJEFUXMGCPU-UHFFFAOYSA-N 1 0 386.290 1.818 20 0 GDADRO Cc1ccc(Br)nc1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909317531 659945186 /nfs/dbraw/zinc/94/51/86/659945186.db2.gz CJWVCLINFCOUAG-UHFFFAOYSA-N 1 0 383.290 1.484 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000909363857 659946657 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O=C(NC[C@@H]1CSCCS1)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000911079688 659993655 /nfs/dbraw/zinc/99/36/55/659993655.db2.gz OELHPMCUWGSLPJ-GOEBONIOSA-N 1 0 385.599 1.580 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000911134875 659996274 /nfs/dbraw/zinc/99/62/74/659996274.db2.gz JWZIZFFYWQHXGH-YMTOWFKASA-N 1 0 376.404 1.508 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911136620 659996514 /nfs/dbraw/zinc/99/65/14/659996514.db2.gz AXAPEQFEAAWCTA-NWANDNLSSA-N 1 0 380.286 1.691 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)NCc1sccc1Br ZINC000911137784 659996547 /nfs/dbraw/zinc/99/65/47/659996547.db2.gz HOZWTYMIVJWMPH-MEBBXXQBSA-N 1 0 386.315 1.857 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911139045 659996559 /nfs/dbraw/zinc/99/65/59/659996559.db2.gz WCFQOLLAIXTHHN-CQSZACIVSA-N 1 0 382.302 1.796 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911158464 659996910 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OPRMZWUMPRCVNS-LPHOPBHVSA-N 1 0 377.558 1.964 20 0 GDADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5ncccc54)C3)O2)CC1 ZINC001164886214 721389337 /nfs/dbraw/zinc/38/93/37/721389337.db2.gz DQIMHXPLXKWFNK-LAUBAEHRSA-N 1 0 382.512 1.790 20 0 GDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5ncccc54)C3)O2)CC1 ZINC001164886211 721389929 /nfs/dbraw/zinc/38/99/29/721389929.db2.gz DQIMHXPLXKWFNK-DYESRHJHSA-N 1 0 382.512 1.790 20 0 GDADRO COc1ncc(F)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891414 721406603 /nfs/dbraw/zinc/40/66/03/721406603.db2.gz WAAWHXSAOZNURZ-HNAYVOBHSA-N 1 0 379.480 1.390 20 0 GDADRO COCc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890401 721406934 /nfs/dbraw/zinc/40/69/34/721406934.db2.gz SMIFPLDJIDLIIW-AZUAARDMSA-N 1 0 375.517 1.388 20 0 GDADRO COc1ncc(F)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891415 721407013 /nfs/dbraw/zinc/40/70/13/721407013.db2.gz WAAWHXSAOZNURZ-KXBFYZLASA-N 1 0 379.480 1.390 20 0 GDADRO Cn1cnc2cnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc21 ZINC001164892977 721407073 /nfs/dbraw/zinc/40/70/73/721407073.db2.gz ZRHFWEURYKGRCK-OXJNMPFZSA-N 1 0 385.516 1.129 20 0 GDADRO CCOc1nccnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164898503 721443793 /nfs/dbraw/zinc/44/37/93/721443793.db2.gz WBBFLDBGURVXNC-YLJYHZDGSA-N 1 0 375.517 1.641 20 0 GDADRO Cc1nc2sccc2c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164797041 721508315 /nfs/dbraw/zinc/50/83/15/721508315.db2.gz XVYINEJGNIAFJH-UHFFFAOYSA-N 1 0 383.525 1.964 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)cn2)CC3)CC1 ZINC001164795297 721509367 /nfs/dbraw/zinc/50/93/67/721509367.db2.gz KILOSNJNJPAUIG-UHFFFAOYSA-N 1 0 397.861 1.639 20 0 GDADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(N5CCOCC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164898075 721515239 /nfs/dbraw/zinc/51/52/39/721515239.db2.gz HQEDKNOJOVDOMK-MJGOQNOKSA-N 1 0 399.470 1.794 20 0 GDADRO O=C1COc2nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ccc2N1 ZINC001164906914 721532989 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CCOC(=O)c1cncc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974018 722114748 /nfs/dbraw/zinc/11/47/48/722114748.db2.gz IHGYGOMURQUKPT-PKOBYXMFSA-N 1 0 397.479 1.776 20 0 GDADRO c1cn(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cn1 ZINC001164975153 722129111 /nfs/dbraw/zinc/12/91/11/722129111.db2.gz DVUKZGOFGQSRQD-RTBURBONSA-N 1 0 391.479 1.785 20 0 GDADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc5c(nn4)CCOC5)CC[C@H]3C2)c1 ZINC001164971273 722151749 /nfs/dbraw/zinc/15/17/49/722151749.db2.gz BOTOVHGJDQVIJS-FXAWDEMLSA-N 1 0 381.480 1.672 20 0 GDADRO Cn1nc(C(=O)N2CCOCC2)c2c1CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164972685 722160354 /nfs/dbraw/zinc/16/03/54/722160354.db2.gz IWEFLHQEKBBTKM-UHFFFAOYSA-N 1 0 396.495 1.404 20 0 GDADRO CCOC(=O)c1cncnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165000172 722250608 /nfs/dbraw/zinc/25/06/08/722250608.db2.gz FMRNJVORVYQNOY-UHFFFAOYSA-N 1 0 388.472 1.338 20 0 GDADRO COc1cc(OC)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001164999924 722251657 /nfs/dbraw/zinc/25/16/57/722251657.db2.gz JHDFBPKWGKZDMI-UHFFFAOYSA-N 1 0 376.461 1.179 20 0 GDADRO COC(=O)Cc1cccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001164999865 722252963 /nfs/dbraw/zinc/25/29/63/722252963.db2.gz HLHPDCVISXRHPH-UHFFFAOYSA-N 1 0 387.484 1.482 20 0 GDADRO O=C1[C@H](N2CCC[C@@H]([NH+]3CCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291382 945258112 /nfs/dbraw/zinc/25/81/12/945258112.db2.gz UKSVEEHOVJLTOB-QZTJIDSGSA-N 1 0 381.484 1.532 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000738347024 945262062 /nfs/dbraw/zinc/26/20/62/945262062.db2.gz CUIKNUUYIBGJBX-CYBMUJFWSA-N 1 0 380.449 1.255 20 0 GDADRO Cc1cc(N[C@H]2CC[C@H](NC(=O)c3n[nH]cc3F)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571258684 945361941 /nfs/dbraw/zinc/36/19/41/945361941.db2.gz ZAYUDYHZKFVSJP-XYPYZODXSA-N 1 0 385.407 1.007 20 0 GDADRO O=C(N1CC[C@H](CNc2cccc(F)c2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001571259257 945380201 /nfs/dbraw/zinc/38/02/01/945380201.db2.gz FARVGOQAFHXDCV-CYBMUJFWSA-N 1 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C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CN1C(=O)C1=CCOCC1 ZINC001571269026 945609804 /nfs/dbraw/zinc/60/98/04/945609804.db2.gz MPTILVBYRQOKCF-MLGOLLRUSA-N 1 0 386.431 1.432 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2ccnn2C)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271353 945642798 /nfs/dbraw/zinc/64/27/98/945642798.db2.gz ASFVSWJIVHWMTC-WCQYABFASA-N 1 0 386.485 1.445 20 0 GDADRO Cc1nccn1CC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C ZINC001571271422 945645095 /nfs/dbraw/zinc/64/50/95/945645095.db2.gz CGZPVBNBIHYZOH-DGCLKSJQSA-N 1 0 386.485 1.212 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189254 945648236 /nfs/dbraw/zinc/64/82/36/945648236.db2.gz JQXBJDHCGFOJRE-QGZVFWFLSA-N 1 0 387.488 1.509 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821189573 945649296 /nfs/dbraw/zinc/64/92/96/945649296.db2.gz OYIHVYKKFOTACL-UHFFFAOYSA-N 1 0 393.467 1.506 20 0 GDADRO CC[C@@H](C)C[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001571272073 945654040 /nfs/dbraw/zinc/65/40/40/945654040.db2.gz OUKTVYMNRWLIOB-GDBMZVCRSA-N 1 0 386.504 1.073 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n(C)n1 ZINC001571272275 945658820 /nfs/dbraw/zinc/65/88/20/945658820.db2.gz QMSBDFFJHYKKOY-LBPRGKRZSA-N 1 0 386.485 1.365 20 0 GDADRO Cc1cc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](C)C2)sn1 ZINC001571272485 945663592 /nfs/dbraw/zinc/66/35/92/945663592.db2.gz UIVWKAMWRSNILY-YPMHNXCESA-N 1 0 386.485 1.743 20 0 GDADRO CCCc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)[nH]n1 ZINC001571272575 945665297 /nfs/dbraw/zinc/66/52/97/945665297.db2.gz XDQWCABHOVMNKH-GFCCVEGCSA-N 1 0 386.485 1.608 20 0 GDADRO Cn1cc(Cl)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571274673 945699181 /nfs/dbraw/zinc/69/91/81/945699181.db2.gz JVFIQOGEAJELFO-CYBMUJFWSA-N 1 0 386.847 1.258 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC[C@H]1NC(=O)c1ccon1 ZINC001571280950 945794829 /nfs/dbraw/zinc/79/48/29/945794829.db2.gz AFEUMDBJCHGCTC-CQSZACIVSA-N 1 0 387.469 1.947 20 0 GDADRO Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)s1 ZINC001571281415 945803421 /nfs/dbraw/zinc/80/34/21/945803421.db2.gz IGJDLUMTBOYEGQ-SECBINFHSA-N 1 0 387.473 1.310 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001571281789 945814617 /nfs/dbraw/zinc/81/46/17/945814617.db2.gz NTHPWVVKLLHNMU-ZWNOBZJWSA-N 1 0 387.473 1.219 20 0 GDADRO O=C(c1ccsn1)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571281926 945821185 /nfs/dbraw/zinc/82/11/85/945821185.db2.gz BXPHRJKLGVOEOW-ZDUSSCGKSA-N 1 0 387.444 1.857 20 0 GDADRO CCc1cc(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)no1 ZINC001571282229 945834089 /nfs/dbraw/zinc/83/40/89/945834089.db2.gz VGSXHWNNDYJDSW-UHFFFAOYSA-N 1 0 387.469 1.777 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)c1cscn1 ZINC001571282287 945839507 /nfs/dbraw/zinc/83/95/07/945839507.db2.gz GASWCQATPLREQB-UHFFFAOYSA-N 1 0 387.444 1.857 20 0 GDADRO Cc1nn[nH]c1C(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571282374 945843937 /nfs/dbraw/zinc/84/39/37/945843937.db2.gz WNJNFWOHLRDDQY-WDEREUQCSA-N 1 0 387.473 1.186 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1nccs1 ZINC001571282747 945859280 /nfs/dbraw/zinc/85/92/80/945859280.db2.gz PNYSHONJMBBDCZ-NSHDSACASA-N 1 0 387.444 1.714 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](CCC[C@@H]2CCOC2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571284895 945908859 /nfs/dbraw/zinc/90/88/59/945908859.db2.gz WEPWYXYBDGHYKV-GDBMZVCRSA-N 1 0 387.488 1.596 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)[C@@H]1CC[C@H](F)C1 ZINC001571286322 945944212 /nfs/dbraw/zinc/94/42/12/945944212.db2.gz DOYKTTAPVIKLNS-KSRBRMDJSA-N 1 0 388.422 1.690 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1(F)CCCC1 ZINC001571286939 945962654 /nfs/dbraw/zinc/96/26/54/945962654.db2.gz WGFIUHBTLJKFER-FOLVSLTJSA-N 1 0 388.422 1.835 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@@H]1CCCO1 ZINC001571287843 945981482 /nfs/dbraw/zinc/98/14/82/945981482.db2.gz JGQAEQHDYNIEKZ-MJEQTWJJSA-N 1 0 388.447 1.559 20 0 GDADRO O=C(c1cnns1)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571288545 945988841 /nfs/dbraw/zinc/98/88/41/945988841.db2.gz QEGUPRXQDLLKOW-JTQLQIEISA-N 1 0 388.432 1.109 20 0 GDADRO CC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOCC1 ZINC001571288899 945992882 /nfs/dbraw/zinc/99/28/82/945992882.db2.gz UEZOGUHCKOAOMW-CQSZACIVSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(C[C@@H]1CCOC1)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288760 945993147 /nfs/dbraw/zinc/99/31/47/945993147.db2.gz SVXHUPYJIHJUGK-NFOMZHRRSA-N 1 0 388.447 1.417 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)NC2CCC(Nc3ncc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC001571289436 946007757 /nfs/dbraw/zinc/00/77/57/946007757.db2.gz DGCIBQLIDWVLNW-LMWSTFAQSA-N 1 0 388.451 1.192 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)[C@H]1CCCO1 ZINC001571289600 946012444 /nfs/dbraw/zinc/01/24/44/946012444.db2.gz IMSWWMODRGSMRT-WPEGABGTSA-N 1 0 388.497 1.290 20 0 GDADRO Cc1ccoc1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571290201 946031980 /nfs/dbraw/zinc/03/19/80/946031980.db2.gz XNWBMOCOBAXLPN-GFCCVEGCSA-N 1 0 388.453 1.460 20 0 GDADRO O=C(Cc1cncs1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571294189 946128161 /nfs/dbraw/zinc/12/81/61/946128161.db2.gz CKZOAXTZKQCPGP-UHFFFAOYSA-N 1 0 389.510 1.708 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001571294437 946133744 /nfs/dbraw/zinc/13/37/44/946133744.db2.gz GKUKCIMADVOFLN-GFCCVEGCSA-N 1 0 389.822 1.992 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCc2cccnc21 ZINC001571294945 946150000 /nfs/dbraw/zinc/15/00/00/946150000.db2.gz MRVMSEATZXWSCB-MSOLQXFVSA-N 1 0 389.463 1.682 20 0 GDADRO Cn1cc(C[C@@H]2CC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC000822674271 946153752 /nfs/dbraw/zinc/15/37/52/946153752.db2.gz PIAODEPGFUJRHL-AWEZNQCLSA-N 1 0 380.456 1.493 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001571298549 946221649 /nfs/dbraw/zinc/22/16/49/946221649.db2.gz ASYHXGATLNYHHX-SCLBCKFNSA-N 1 0 390.513 1.683 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)c1c[nH]nc1C1CC1 ZINC001571298772 946227560 /nfs/dbraw/zinc/22/75/60/946227560.db2.gz QTLJVPXYRCQRND-VQFNDLOPSA-N 1 0 390.451 1.327 20 0 GDADRO O=C([C@H]1CCCO1)N1CCCCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299363 946247704 /nfs/dbraw/zinc/24/77/04/946247704.db2.gz LRCLWKMIQVGCFO-DZGCQCFKSA-N 1 0 390.513 1.968 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCCCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299364 946249582 /nfs/dbraw/zinc/24/95/82/946249582.db2.gz LRCLWKMIQVGCFO-HIFRSBDPSA-N 1 0 390.513 1.968 20 0 GDADRO C[C@H]1CN(C(=O)C2=COCCO2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571299459 946252524 /nfs/dbraw/zinc/25/25/24/946252524.db2.gz WKEULQLZADMWLL-WCQYABFASA-N 1 0 390.469 1.143 20 0 GDADRO O=C(N[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2)c1cncnc1 ZINC001571299586 946256481 /nfs/dbraw/zinc/25/64/81/946256481.db2.gz XZLMGHNPNWJNJD-KRWDZBQOSA-N 1 0 390.451 1.441 20 0 GDADRO Cc1nsc(N(C)C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1-c1nn[nH]n1 ZINC001571300282 946278009 /nfs/dbraw/zinc/27/80/09/946278009.db2.gz YTVUZZGXGKWBKN-CHWSQXEVSA-N 1 0 390.517 1.153 20 0 GDADRO Cn1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2-c2nn[nH]n2)C3)c1 ZINC001571305403 946360919 /nfs/dbraw/zinc/36/09/19/946360919.db2.gz ACYKBNHYPVMYKS-WBAXXEDZSA-N 1 0 391.479 1.988 20 0 GDADRO O=C(Cc1cccnc1)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571305636 946369405 /nfs/dbraw/zinc/36/94/05/946369405.db2.gz HZEQIGMLTGMJCU-RTBURBONSA-N 1 0 391.479 1.879 20 0 GDADRO Cc1ccncc1CC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571306280 946392923 /nfs/dbraw/zinc/39/29/23/946392923.db2.gz JGEIKXQTGVPWKT-UHFFFAOYSA-N 1 0 391.479 1.797 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823689854 946467606 /nfs/dbraw/zinc/46/76/06/946467606.db2.gz JWEAQOUTZOHWFO-FUHWJXTLSA-N 1 0 386.500 1.414 20 0 GDADRO CC(=O)NC1CCC([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000823988722 946533370 /nfs/dbraw/zinc/53/33/70/946533370.db2.gz IOIMOOIKOVPISX-UHFFFAOYSA-N 1 0 397.527 1.868 20 0 GDADRO CC(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823994889 946534556 /nfs/dbraw/zinc/53/45/56/946534556.db2.gz RIAJHEYDWYOCMT-CRAIPNDOSA-N 1 0 397.483 1.210 20 0 GDADRO Cc1ccc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC001571314738 946542335 /nfs/dbraw/zinc/54/23/35/946542335.db2.gz BSFMUMKUHOOISY-KRWDZBQOSA-N 1 0 392.467 1.750 20 0 GDADRO Cc1cc(NC[C@H]2CCC[C@H]2NC(=O)Cc2cccnc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314779 946545330 /nfs/dbraw/zinc/54/53/30/946545330.db2.gz CRJRPABLBRKSJV-NVXWUHKLSA-N 1 0 392.467 1.327 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)Cc3ccncc3C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315423 946552543 /nfs/dbraw/zinc/55/25/43/946552543.db2.gz KHFBIIPKPXYBAU-FZKQIMNGSA-N 1 0 392.467 1.197 20 0 GDADRO Cc1nnccc1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571316474 946577211 /nfs/dbraw/zinc/57/72/11/946577211.db2.gz DDVDGZWLCGMYNX-QGZVFWFLSA-N 1 0 392.467 1.750 20 0 GDADRO O=C(CCc1c[nH]cn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571316634 946582591 /nfs/dbraw/zinc/58/25/91/946582591.db2.gz IVDDEJWYLUEJTJ-CALCHBBNSA-N 1 0 392.467 1.398 20 0 GDADRO Cc1nc(C(=O)N2CC3(C2)CC[NH+](Cc2ccc(-c4nn[nH]n4)cc2)CC3)c[nH]1 ZINC001571316716 946584031 /nfs/dbraw/zinc/58/40/31/946584031.db2.gz KQLVQUIJFVJTBH-UHFFFAOYSA-N 1 0 392.467 1.636 20 0 GDADRO Cc1cnc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571316784 946586176 /nfs/dbraw/zinc/58/61/76/946586176.db2.gz MQEBRMLIJRERKP-WMLDXEAASA-N 1 0 392.467 1.748 20 0 GDADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C23CCC3)cn1 ZINC001571316775 946587235 /nfs/dbraw/zinc/58/72/35/946587235.db2.gz MJKNWXMNPCBUMF-IRXDYDNUSA-N 1 0 392.467 1.431 20 0 GDADRO Cc1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(-c3nn[nH]n3)cc2)n1C ZINC001571316819 946589584 /nfs/dbraw/zinc/58/95/84/946589584.db2.gz NNJYOTLFRJIMPV-CALCHBBNSA-N 1 0 392.467 1.398 20 0 GDADRO Cc1nnccc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571317176 946601940 /nfs/dbraw/zinc/60/19/40/946601940.db2.gz XJEANAXALRMHQX-QGZVFWFLSA-N 1 0 392.467 1.750 20 0 GDADRO O=C(c1cn[nH]c1)N1CCC2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001571317412 946609339 /nfs/dbraw/zinc/60/93/39/946609339.db2.gz HBTVWMCUHLSFJH-UHFFFAOYSA-N 1 0 392.467 1.718 20 0 GDADRO CC(C)(O)C[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000824173004 946609878 /nfs/dbraw/zinc/60/98/78/946609878.db2.gz USRUXEYOZDLQNF-UHFFFAOYSA-N 1 0 394.479 1.756 20 0 GDADRO O=C(c1cnc2n1CCC2)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317595 946613823 /nfs/dbraw/zinc/61/38/23/946613823.db2.gz NXPHGGFRIDVUIG-INIZCTEOSA-N 1 0 392.467 1.404 20 0 GDADRO O=C(c1cnc2n1CCC2)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317610 946617152 /nfs/dbraw/zinc/61/71/52/946617152.db2.gz OGFDCELQYPYEIU-OAHLLOKOSA-N 1 0 392.467 1.261 20 0 GDADRO CC[C@@H](C(=O)N1CCC(Nc2ncc(-c3nn[nH]n3)cc2Cl)CC1)[NH+](C)C ZINC001571317794 946621585 /nfs/dbraw/zinc/62/15/85/946621585.db2.gz VYQDEEIWMJTVBF-AWEZNQCLSA-N 1 0 392.895 1.658 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573522417 946624828 /nfs/dbraw/zinc/62/48/28/946624828.db2.gz FJUDMDKETQLULB-STQMWFEESA-N 1 0 387.488 1.012 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824412575 946692434 /nfs/dbraw/zinc/69/24/34/946692434.db2.gz BEWOXFZRHUCWGK-AWEZNQCLSA-N 1 0 386.481 1.666 20 0 GDADRO CC(=O)N[C@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC001573541649 946788942 /nfs/dbraw/zinc/78/89/42/946788942.db2.gz USWUHLLPFIFAOR-MRXNPFEDSA-N 1 0 387.488 1.013 20 0 GDADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824548623 946792844 /nfs/dbraw/zinc/79/28/44/946792844.db2.gz YJABWPFWPDBZCO-CYBMUJFWSA-N 1 0 378.502 1.026 20 0 GDADRO C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824590812 946841061 /nfs/dbraw/zinc/84/10/61/946841061.db2.gz DLOIXPVKYUXPGE-INIZCTEOSA-N 1 0 393.499 1.520 20 0 GDADRO CC(=O)Nc1cccc2c1CC[N@H+](C[C@@H](O)c1cccc(-c3nn[nH]n3)c1)C2 ZINC001573548949 946863080 /nfs/dbraw/zinc/86/30/80/946863080.db2.gz XZJPCGVNFPFDRQ-LJQANCHMSA-N 1 0 378.436 1.917 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824868937 946964136 /nfs/dbraw/zinc/96/41/36/946964136.db2.gz XSPOXVZDTQRJJL-YJBOKZPZSA-N 1 0 384.484 1.716 20 0 GDADRO CC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1cccc(S(N)(=O)=O)c1 ZINC000825149478 947102062 /nfs/dbraw/zinc/10/20/62/947102062.db2.gz YROKQMZVGNXIQU-HNNXBMFYSA-N 1 0 390.444 1.894 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825341369 947158373 /nfs/dbraw/zinc/15/83/73/947158373.db2.gz AUBJRVZQUYTXOH-ZDUSSCGKSA-N 1 0 378.502 1.722 20 0 GDADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826090276 947424698 /nfs/dbraw/zinc/42/46/98/947424698.db2.gz FMEOFNATYMQAFK-CYBMUJFWSA-N 1 0 386.481 1.767 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573615890 947613420 /nfs/dbraw/zinc/61/34/20/947613420.db2.gz UEZKYUDLGUHZKX-JCGIZDLHSA-N 1 0 392.467 1.500 20 0 GDADRO C[C@H](C(=O)N1CCC(N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573619665 947670513 /nfs/dbraw/zinc/67/05/13/947670513.db2.gz XBQPUNMNAKWPJQ-GUYCJALGSA-N 1 0 385.472 1.504 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573625216 947699084 /nfs/dbraw/zinc/69/90/84/947699084.db2.gz NZDHTKMKVIPARB-TZMCWYRMSA-N 1 0 384.419 1.154 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnn(C)c1 ZINC001573625981 947703244 /nfs/dbraw/zinc/70/32/44/947703244.db2.gz RBNOIQHDWWSREI-YPMHNXCESA-N 1 0 386.485 1.156 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001573628495 947757400 /nfs/dbraw/zinc/75/74/00/947757400.db2.gz MDMXMBBMTNGJHK-GJZGRUSLSA-N 1 0 380.456 1.752 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001573628497 947757849 /nfs/dbraw/zinc/75/78/49/947757849.db2.gz MDMXMBBMTNGJHK-LSDHHAIUSA-N 1 0 380.456 1.752 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573367485 947760305 /nfs/dbraw/zinc/76/03/05/947760305.db2.gz DDRDJYAVNDRVNY-QAPCUYQASA-N 1 0 384.484 1.953 20 0 GDADRO C[C@H](C(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573629246 947774971 /nfs/dbraw/zinc/77/49/71/947774971.db2.gz MUZHFEVQJCNGBB-UONOGXRCSA-N 1 0 381.440 1.731 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@H]1C ZINC001573373304 947789884 /nfs/dbraw/zinc/78/98/84/947789884.db2.gz HNYIDNLILVKOTO-CXAGYDPISA-N 1 0 388.447 1.844 20 0 GDADRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCCO1 ZINC001573637830 947826113 /nfs/dbraw/zinc/82/61/13/947826113.db2.gz RPUBIIWSAYUTRL-YJBOKZPZSA-N 1 0 384.484 1.716 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001573375919 947828035 /nfs/dbraw/zinc/82/80/35/947828035.db2.gz UUCQUQHKDKUBLG-KBXCAEBGSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573376506 947839044 /nfs/dbraw/zinc/83/90/44/947839044.db2.gz WBXBONUFNJAMSQ-UHFFFAOYSA-N 1 0 388.447 1.750 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)n1cccn1 ZINC001573644087 947867929 /nfs/dbraw/zinc/86/79/29/947867929.db2.gz YFMJHNMNIHCNFW-GXTWGEPZSA-N 1 0 384.419 1.154 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(C)(F)F ZINC001573644045 947868135 /nfs/dbraw/zinc/86/81/35/947868135.db2.gz XMIIPZJYIUHFKU-ZYHUDNBSSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573644144 947870152 /nfs/dbraw/zinc/87/01/52/947870152.db2.gz ZCEDEECTJNSTNZ-BLLLJJGKSA-N 1 0 388.447 1.369 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573381718 947878530 /nfs/dbraw/zinc/87/85/30/947878530.db2.gz YFDRVPHAPRQDCR-MRXNPFEDSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573382835 947887281 /nfs/dbraw/zinc/88/72/81/947887281.db2.gz LBFZYJRQDZFUPM-UHFFFAOYSA-N 1 0 384.484 1.954 20 0 GDADRO Cc1nnc(SCC(=O)NC2CC[NH+](C3CC3)CC2)c(-c2nn[nH]n2)c1C ZINC000826336550 947972723 /nfs/dbraw/zinc/97/27/23/947972723.db2.gz CQJTYTJZRFUXBT-UHFFFAOYSA-N 1 0 388.501 1.109 20 0 GDADRO Cc1onc(CC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826347320 948053171 /nfs/dbraw/zinc/05/31/71/948053171.db2.gz MUKBYLBFRGKNDS-MRXNPFEDSA-N 1 0 395.467 1.877 20 0 GDADRO C[C@H](C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573664345 948053462 /nfs/dbraw/zinc/05/34/62/948053462.db2.gz TZLHXXUOBOOPTG-OPFPJEHXSA-N 1 0 378.440 1.189 20 0 GDADRO Cc1onc(CC(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1-c1nn[nH]n1 ZINC000826349108 948089203 /nfs/dbraw/zinc/08/92/03/948089203.db2.gz UFVLDXBQIGRFBJ-UHFFFAOYSA-N 1 0 396.455 1.092 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573667325 948097446 /nfs/dbraw/zinc/09/74/46/948097446.db2.gz YYPDCXAJPANEPH-MNOVXSKESA-N 1 0 383.378 1.935 20 0 GDADRO Cn1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361174 948129179 /nfs/dbraw/zinc/12/91/79/948129179.db2.gz OCRSMOFGMHCGFB-GOSISDBHSA-N 1 0 394.483 1.174 20 0 GDADRO C[C@H](C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573677465 948137341 /nfs/dbraw/zinc/13/73/41/948137341.db2.gz AUXNVBXSQJWOJK-YVEFUNNKSA-N 1 0 378.440 1.189 20 0 GDADRO C[C@H](C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573677463 948137784 /nfs/dbraw/zinc/13/77/84/948137784.db2.gz AUXNVBXSQJWOJK-SJCJKPOMSA-N 1 0 378.440 1.189 20 0 GDADRO NC(=O)CCC1CC[NH+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000826390524 948198039 /nfs/dbraw/zinc/19/80/39/948198039.db2.gz CMHZWXFVTOAGGB-QGZVFWFLSA-N 1 0 397.483 1.340 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCCC1 ZINC001573681894 948216436 /nfs/dbraw/zinc/21/64/36/948216436.db2.gz YOHYPPPGKPIFRX-DOMZBBRYSA-N 1 0 390.463 1.399 20 0 GDADRO O=C(C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)NC1CCCC1 ZINC000826412670 948252499 /nfs/dbraw/zinc/25/24/99/948252499.db2.gz YFZRWLWTHFOPEY-UHFFFAOYSA-N 1 0 383.500 1.480 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC1)n1cccn1 ZINC001573692219 948258854 /nfs/dbraw/zinc/25/88/54/948258854.db2.gz NGBOIMICARODIH-AWEZNQCLSA-N 1 0 380.456 1.453 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000826443658 948306544 /nfs/dbraw/zinc/30/65/44/948306544.db2.gz YECLAYBVLRKPMJ-IBGZPJMESA-N 1 0 392.463 1.753 20 0 GDADRO C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573704530 948376329 /nfs/dbraw/zinc/37/63/29/948376329.db2.gz BOXFPSYHYNMPBE-SNVBAGLBSA-N 1 0 383.378 1.793 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@H](C3OCCO3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476561 948381584 /nfs/dbraw/zinc/38/15/84/948381584.db2.gz KLGPLYFKHBLAQV-DOTOQJQBSA-N 1 0 398.467 1.447 20 0 GDADRO O=C1[C@H]([NH+]2CCC3(CC2)OCCO3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476622 948382861 /nfs/dbraw/zinc/38/28/61/948382861.db2.gz LFNYTWLFLKTLCB-MRXNPFEDSA-N 1 0 384.440 1.201 20 0 GDADRO OCC[C@]1(C[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOC1 ZINC000826508935 948427866 /nfs/dbraw/zinc/42/78/66/948427866.db2.gz GNRGZESKMNUCDS-HXUWFJFHSA-N 1 0 386.500 1.210 20 0 GDADRO c1cc(OC2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)cc(-c2nn[nH]n2)c1 ZINC000826517742 948445914 /nfs/dbraw/zinc/44/59/14/948445914.db2.gz NIPKEFLYNZNQAG-KDURUIRLSA-N 1 0 384.484 1.573 20 0 GDADRO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1C)n1cccn1 ZINC001573740975 948646873 /nfs/dbraw/zinc/64/68/73/948646873.db2.gz RLAOULTXRAQTPT-CKEIUWERSA-N 1 0 380.456 1.261 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573742675 948663353 /nfs/dbraw/zinc/66/33/53/948663353.db2.gz PSTUWTIQMFRAHQ-CHWSQXEVSA-N 1 0 390.467 1.582 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)c1ccco1 ZINC001573751921 948707015 /nfs/dbraw/zinc/70/70/15/948707015.db2.gz IAQPQJXRRRQOCS-BWUSGFMJSA-N 1 0 378.436 1.810 20 0 GDADRO C[C@H](CNC(=O)CCc1ccn(C)n1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574914311 948747845 /nfs/dbraw/zinc/74/78/45/948747845.db2.gz IFOBSKPCTLQBDU-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001575223301 948764892 /nfs/dbraw/zinc/76/48/92/948764892.db2.gz NKLWARYSGXODPO-NEPJUHHUSA-N 1 0 391.426 1.958 20 0 GDADRO CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001574080028 948783248 /nfs/dbraw/zinc/78/32/48/948783248.db2.gz NMNZNAAVUJUNEK-CLWVCHIJSA-N 1 0 376.411 1.546 20 0 GDADRO CC(C)[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1C ZINC001574080148 948786248 /nfs/dbraw/zinc/78/62/48/948786248.db2.gz IGTQKGJVMRDPEA-HFBAOOFYSA-N 1 0 378.427 1.936 20 0 GDADRO CC(C)c1ccccc1C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574419595 948788231 /nfs/dbraw/zinc/78/82/31/948788231.db2.gz GAXKFQICCGLHBE-HNNXBMFYSA-N 1 0 383.456 1.199 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnccn1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574917089 948804247 /nfs/dbraw/zinc/80/42/47/948804247.db2.gz QQCSTOMYAULEPP-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574917135 948805077 /nfs/dbraw/zinc/80/50/77/948805077.db2.gz RSWLHTYUKPVNJE-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001574081223 948824927 /nfs/dbraw/zinc/82/49/27/948824927.db2.gz YQHJJTAXOAPLIN-QXSJWSMHSA-N 1 0 376.411 1.546 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574918962 948863113 /nfs/dbraw/zinc/86/31/13/948863113.db2.gz SCDMHBIVFKNRPO-LBPRGKRZSA-N 1 0 376.440 1.193 20 0 GDADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001574082817 948869023 /nfs/dbraw/zinc/86/90/23/948869023.db2.gz KWVJPHCNRLADGR-CRAIPNDOSA-N 1 0 384.484 1.728 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C[N@H+](C)C1CCC1 ZINC001574684414 948870689 /nfs/dbraw/zinc/87/06/89/948870689.db2.gz FVUXAKBKSHAOEY-NSHDSACASA-N 1 0 392.895 1.706 20 0 GDADRO CC(F)(F)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001575231975 948873518 /nfs/dbraw/zinc/87/35/18/948873518.db2.gz CHBUUJVSQURCKT-QKDCVEJESA-N 1 0 376.411 1.706 20 0 GDADRO C[C@@H](CNC(=O)CCc1ncccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574920017 948880334 /nfs/dbraw/zinc/88/03/34/948880334.db2.gz AHAZGZKHYLMLSB-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@H](CNC(=O)CCc1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574920468 948902022 /nfs/dbraw/zinc/90/20/22/948902022.db2.gz LXTYMCXVDUWEOE-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574685222 948903900 /nfs/dbraw/zinc/90/39/00/948903900.db2.gz TWFGAJHRDDPRQV-GWCFXTLKSA-N 1 0 378.868 1.316 20 0 GDADRO CC(C)(C(=O)N1CCC[C@H](Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573765618 948917455 /nfs/dbraw/zinc/91/74/55/948917455.db2.gz SQJMKEZSVGGAET-AWEZNQCLSA-N 1 0 384.488 1.539 20 0 GDADRO CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCO1 ZINC001574088329 948917998 /nfs/dbraw/zinc/91/79/98/948917998.db2.gz AWTZSRRHZQKUKF-WBOJAVRRSA-N 1 0 385.472 1.194 20 0 GDADRO C[C@H](CNC(=O)CCn1cc(Cl)cn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574923067 948931942 /nfs/dbraw/zinc/93/19/42/948931942.db2.gz CFHYOUYRGLYXFY-GFCCVEGCSA-N 1 0 388.863 1.401 20 0 GDADRO C[C@H](CNC(=O)CCn1cc(Cl)cn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574923644 948955883 /nfs/dbraw/zinc/95/58/83/948955883.db2.gz QGMDBJMOVWAPOT-GFCCVEGCSA-N 1 0 388.863 1.401 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC001573772840 948969450 /nfs/dbraw/zinc/96/94/50/948969450.db2.gz FZCXGXSROQQYQI-QGZVFWFLSA-N 1 0 386.500 1.650 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001575242153 948983264 /nfs/dbraw/zinc/98/32/64/948983264.db2.gz HVYNALUZKFTYPN-ACJLOTCBSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001575242618 948986148 /nfs/dbraw/zinc/98/61/48/948986148.db2.gz JGUQXFMIJIFMBQ-ACJLOTCBSA-N 1 0 375.452 1.871 20 0 GDADRO CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001574091392 949014587 /nfs/dbraw/zinc/01/45/87/949014587.db2.gz KWLMXINYZJMGKV-KGLIPLIRSA-N 1 0 385.472 1.053 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001575502233 949020918 /nfs/dbraw/zinc/02/09/18/949020918.db2.gz JEBVCJYFZPCRQA-KBPBESRZSA-N 1 0 381.440 1.324 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575246539 949035594 /nfs/dbraw/zinc/03/55/94/949035594.db2.gz GWOOLURSKBFWCO-QWHCGFSZSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575503124 949039120 /nfs/dbraw/zinc/03/91/20/949039120.db2.gz JHWQMSZTTXJKAC-SNVBAGLBSA-N 1 0 375.383 1.896 20 0 GDADRO C[C@@H](CN(C)C(=O)C(=O)C(C)(C)C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574694261 949067381 /nfs/dbraw/zinc/06/73/81/949067381.db2.gz MJRKLCKQWPHGGO-NSHDSACASA-N 1 0 376.436 1.558 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)C(F)F ZINC001573779704 949071410 /nfs/dbraw/zinc/07/14/10/949071410.db2.gz MTCCSXUFECGIMD-QKDCVEJESA-N 1 0 390.438 1.952 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574929532 949098230 /nfs/dbraw/zinc/09/82/30/949098230.db2.gz GDQCZKHWZKNMCX-ZDUSSCGKSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)c1nocc1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574443153 949103221 /nfs/dbraw/zinc/10/32/21/949103221.db2.gz VKINUJOALSGNOR-HNNXBMFYSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)COCC(F)F)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574930073 949104029 /nfs/dbraw/zinc/10/40/29/949104029.db2.gz JFJIPFIITRAQKI-JTQLQIEISA-N 1 0 386.378 1.224 20 0 GDADRO C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001575250938 949123217 /nfs/dbraw/zinc/12/32/17/949123217.db2.gz JFLWKUYTLXMTDX-STQMWFEESA-N 1 0 387.492 1.226 20 0 GDADRO C[C@@H](c1ccccc1)[C@H](O)C[N@H+](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575510959 949125051 /nfs/dbraw/zinc/12/50/51/949125051.db2.gz INNHDDUXIXJXJC-SUMWQHHRSA-N 1 0 383.456 1.021 20 0 GDADRO CC(C)c1ocnc1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574446634 949138708 /nfs/dbraw/zinc/13/87/08/949138708.db2.gz UNTBQKPAPSARFR-AWEZNQCLSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575514486 949168028 /nfs/dbraw/zinc/16/80/28/949168028.db2.gz CFYBCBDMBPKIMY-QWHCGFSZSA-N 1 0 381.444 1.140 20 0 GDADRO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001575252696 949169794 /nfs/dbraw/zinc/16/97/94/949169794.db2.gz GWWQQYMKPQPLLC-CHWSQXEVSA-N 1 0 387.463 1.939 20 0 GDADRO C[C@@H](c1cnccn1)[NH+]1CCC(C)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575515402 949189808 /nfs/dbraw/zinc/18/98/08/949189808.db2.gz IKBKHHKDTWXJEU-LBPRGKRZSA-N 1 0 381.444 1.330 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)n1cccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574698504 949194796 /nfs/dbraw/zinc/19/47/96/949194796.db2.gz LTFYGNBDAYRBRX-STQMWFEESA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](NC(=O)[C@H](C)n1cccn1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575254362 949201090 /nfs/dbraw/zinc/20/10/90/949201090.db2.gz VSSULFJEMJMOHJ-KBPBESRZSA-N 1 0 380.456 1.261 20 0 GDADRO CC(C)(C)C(=O)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001573793116 949286461 /nfs/dbraw/zinc/28/64/61/949286461.db2.gz LLMNBBTURYPLGP-PHZGNYQRSA-N 1 0 382.468 1.276 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574702768 949293325 /nfs/dbraw/zinc/29/33/25/949293325.db2.gz LOIWDKYMOGKTSU-SJCJKPOMSA-N 1 0 378.502 1.681 20 0 GDADRO CC(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574109732 949326060 /nfs/dbraw/zinc/32/60/60/949326060.db2.gz BNNOSHDWMDJBCU-GUYCJALGSA-N 1 0 390.463 1.757 20 0 GDADRO C[C@H](CNC(=O)Cc1cccc(F)c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574941924 949329337 /nfs/dbraw/zinc/32/93/37/949329337.db2.gz VCAUVBYPEFWHPB-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)CC[NH+](C)C ZINC001576154376 949334994 /nfs/dbraw/zinc/33/49/94/949334994.db2.gz CUHBGVSJYTWALN-KUHUBIRLSA-N 1 0 386.504 1.690 20 0 GDADRO C[C@H](NC(=O)C1CC(F)(F)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575259619 949335539 /nfs/dbraw/zinc/33/55/39/949335539.db2.gz PUMGBJLGTJLBFJ-NSHDSACASA-N 1 0 376.411 1.849 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]1(F)CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574703821 949351643 /nfs/dbraw/zinc/35/16/43/949351643.db2.gz ZFLDHCSFQHODKK-GTNSWQLSSA-N 1 0 380.399 1.071 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574460150 949370772 /nfs/dbraw/zinc/37/07/72/949370772.db2.gz QJCIZQHJSFDQET-HNNXBMFYSA-N 1 0 383.460 1.367 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574460225 949373345 /nfs/dbraw/zinc/37/33/45/949373345.db2.gz SQPSFRCDLHYGRU-HNNXBMFYSA-N 1 0 383.460 1.367 20 0 GDADRO C[C@@H](NC(=O)CC(C)(C)O)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575262458 949373663 /nfs/dbraw/zinc/37/36/63/949373663.db2.gz APQGPFYOJLMNGR-LLVKDONJSA-N 1 0 376.436 1.103 20 0 GDADRO C[C@H]1CCCC[C@@]1(CNc1ncccc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001576155257 949390060 /nfs/dbraw/zinc/39/00/60/949390060.db2.gz HKVXHVWOPUBCQJ-LIRRHRJNSA-N 1 0 386.504 1.690 20 0 GDADRO C[C@H](CNC(=O)Cc1cncs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574945553 949414608 /nfs/dbraw/zinc/41/46/08/949414608.db2.gz MFFNLHPFHXEIHI-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575535130 949440109 /nfs/dbraw/zinc/44/01/09/949440109.db2.gz SNZKIYKXGWGWOM-JXFKEZNVSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H]1CCC[C@H](OCC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576156494 949444717 /nfs/dbraw/zinc/44/47/17/949444717.db2.gz YUAICPIWOYRCTE-KGLIPLIRSA-N 1 0 385.472 1.340 20 0 GDADRO CC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCCO1 ZINC001573803893 949455817 /nfs/dbraw/zinc/45/58/17/949455817.db2.gz WKTXPSTWTPHEFT-LBPRGKRZSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575266023 949468513 /nfs/dbraw/zinc/46/85/13/949468513.db2.gz WTTRRHLPEJOXJJ-CHWSQXEVSA-N 1 0 392.529 1.806 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574707629 949471307 /nfs/dbraw/zinc/47/13/07/949471307.db2.gz PBYCURJVPQSSSG-TZMCWYRMSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCc2ccccc21 ZINC001575536393 949471983 /nfs/dbraw/zinc/47/19/83/949471983.db2.gz IBPFFVDDXJBUJY-BTYIYWSLSA-N 1 0 389.463 1.601 20 0 GDADRO CC(C)c1nccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574949067 949481134 /nfs/dbraw/zinc/48/11/34/949481134.db2.gz QDQPLOQPOIXMCG-GFCCVEGCSA-N 1 0 388.501 1.543 20 0 GDADRO C[C@H](NC(=O)CC(F)(F)F)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575266813 949490880 /nfs/dbraw/zinc/49/08/80/949490880.db2.gz FEHRCSPEKLKLSF-VIFPVBQESA-N 1 0 386.353 1.895 20 0 GDADRO C[C@@]1(C(=O)N2CCC([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575537525 949498278 /nfs/dbraw/zinc/49/82/78/949498278.db2.gz WMFPXJXQHFCRKM-LJQANCHMSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCC1(F)F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574708813 949499235 /nfs/dbraw/zinc/49/92/35/949499235.db2.gz XIKHSFFSEDRSJR-GXFFZTMASA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CC(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccncc1 ZINC001574470578 949506668 /nfs/dbraw/zinc/50/66/68/949506668.db2.gz FUNNOMKQLHRLSM-KGLIPLIRSA-N 1 0 380.456 1.531 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOC1 ZINC001575538336 949517479 /nfs/dbraw/zinc/51/74/79/949517479.db2.gz FMFLCRHKNWCFRW-BEFAXECRSA-N 1 0 388.447 1.513 20 0 GDADRO CC1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575538654 949528609 /nfs/dbraw/zinc/52/86/09/949528609.db2.gz IFTAXCKXHWTEAS-MRXNPFEDSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575872117 949535981 /nfs/dbraw/zinc/53/59/81/949535981.db2.gz GPNUBYSUHIMSTK-BBRMVZONSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576164279 949555457 /nfs/dbraw/zinc/55/54/57/949555457.db2.gz GOQHPTVSYYAUGC-VMUDFCTBSA-N 1 0 385.472 1.338 20 0 GDADRO CC1(C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575540106 949563618 /nfs/dbraw/zinc/56/36/18/949563618.db2.gz UVYUIZWRUPUROV-LLVKDONJSA-N 1 0 377.399 1.522 20 0 GDADRO C[C@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576165312 949565832 /nfs/dbraw/zinc/56/58/32/949565832.db2.gz JIWWJKLUKWQIMD-XJKSGUPXSA-N 1 0 385.472 1.340 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccon1 ZINC001573810806 949575769 /nfs/dbraw/zinc/57/57/69/949575769.db2.gz CYVFMTLCCXZLSA-HNNXBMFYSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCO1 ZINC001574475889 949577240 /nfs/dbraw/zinc/57/72/40/949577240.db2.gz DETSLJFIKHDDMM-QAPCUYQASA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001574475809 949579627 /nfs/dbraw/zinc/57/96/27/949579627.db2.gz BZFUCSHETCLANL-MLGOLLRUSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@@H](NC(=O)C[C@@H]1CCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575270450 949593515 /nfs/dbraw/zinc/59/35/15/949593515.db2.gz ZTHXXRGELIBCAL-YPMHNXCESA-N 1 0 376.486 1.434 20 0 GDADRO C[C@H](NC(=O)CC[C@H]1CCCO1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575270572 949595972 /nfs/dbraw/zinc/59/59/72/949595972.db2.gz DVMXJFUWMGGRHU-WMLDXEAASA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576167023 949599582 /nfs/dbraw/zinc/59/95/82/949599582.db2.gz OJWCECQPIXHVLO-YOEHRIQHSA-N 1 0 386.500 1.744 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cnsn1 ZINC001573811360 949602014 /nfs/dbraw/zinc/60/20/14/949602014.db2.gz KYKVRQHNCOQEIJ-AWEZNQCLSA-N 1 0 386.485 1.653 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCCO1 ZINC001573811722 949603030 /nfs/dbraw/zinc/60/30/30/949603030.db2.gz NCICTOBVFOQXHP-JSGCOSHPSA-N 1 0 378.502 1.728 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccon1 ZINC001573811611 949603567 /nfs/dbraw/zinc/60/35/67/949603567.db2.gz MKAVBXXGINAVNP-HNNXBMFYSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CCOC1 ZINC001573811615 949605982 /nfs/dbraw/zinc/60/59/82/949605982.db2.gz MKYLTCQOLHTLHT-GDBMZVCRSA-N 1 0 390.463 1.663 20 0 GDADRO C[C@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576167237 949605989 /nfs/dbraw/zinc/60/59/89/949605989.db2.gz BGIVOEVCNQRSBR-LSDHHAIUSA-N 1 0 387.488 1.133 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnon1 ZINC001573812010 949612982 /nfs/dbraw/zinc/61/29/82/949612982.db2.gz PKGQVUBRHIGJMT-CQSZACIVSA-N 1 0 388.407 1.323 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cncc(F)c1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573812600 949616943 /nfs/dbraw/zinc/61/69/43/949616943.db2.gz SLFYNSHZOLSZAZ-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ccnnc1 ZINC001573812585 949618175 /nfs/dbraw/zinc/61/81/75/949618175.db2.gz SLBUHZZGCDMQOO-CQSZACIVSA-N 1 0 386.485 1.653 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575271598 949623753 /nfs/dbraw/zinc/62/37/53/949623753.db2.gz LEEPJVVADCHBQA-CABCVRRESA-N 1 0 386.504 1.325 20 0 GDADRO CC1(C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CC(F)(F)C1 ZINC001575547300 949626998 /nfs/dbraw/zinc/62/69/98/949626998.db2.gz WXXUNBDVKHZSMB-LLVKDONJSA-N 1 0 377.399 1.522 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cn1cccn1 ZINC001573813271 949629952 /nfs/dbraw/zinc/62/99/52/949629952.db2.gz XTXCARKLLAJUAY-INIZCTEOSA-N 1 0 382.472 1.384 20 0 GDADRO C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575272098 949632252 /nfs/dbraw/zinc/63/22/52/949632252.db2.gz NIUKGUAILOJTAA-QWRGUYRKSA-N 1 0 380.884 1.562 20 0 GDADRO C[C@@H](Nc1ccc(-c2nn[nH]n2)nn1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001575273568 949663285 /nfs/dbraw/zinc/66/32/85/949663285.db2.gz WQSLRWINBQMPNE-KGLIPLIRSA-N 1 0 387.492 1.228 20 0 GDADRO CC1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC(F)(F)C1 ZINC001575553758 949691538 /nfs/dbraw/zinc/69/15/38/949691538.db2.gz PTWISJJFZNCHCU-AWEZNQCLSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@H](NC(=O)CCc1ncccn1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575275017 949691653 /nfs/dbraw/zinc/69/16/53/949691653.db2.gz BPPZBQAOZOZUOX-AWEZNQCLSA-N 1 0 392.467 1.226 20 0 GDADRO C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)n1ccnc1 ZINC001574478163 949700557 /nfs/dbraw/zinc/70/05/57/949700557.db2.gz YCNXKVSEPXIUAQ-HNNXBMFYSA-N 1 0 382.472 1.605 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574959070 949704395 /nfs/dbraw/zinc/70/43/95/949704395.db2.gz QBDPSQXRVVWHKG-LERXQTSPSA-N 1 0 384.419 1.127 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574959401 949713490 /nfs/dbraw/zinc/71/34/90/949713490.db2.gz RHYYSPZJWLMPRA-DOPJRALCSA-N 1 0 377.452 1.660 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C[NH2+]Cc1cncs1 ZINC001576170541 949724789 /nfs/dbraw/zinc/72/47/89/949724789.db2.gz MEUDCGJAXGRAGR-IAQYHMDHSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574960321 949724930 /nfs/dbraw/zinc/72/49/30/949724930.db2.gz WJEABLVHELDQOM-CWRNSKLLSA-N 1 0 377.452 1.652 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001574478810 949725034 /nfs/dbraw/zinc/72/50/34/949725034.db2.gz AVKBCSARAOOHCB-YOEHRIQHSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001574478841 949725089 /nfs/dbraw/zinc/72/50/89/949725089.db2.gz BJIGVWAGJCSJJM-GUYCJALGSA-N 1 0 385.472 1.292 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575881787 949731659 /nfs/dbraw/zinc/73/16/59/949731659.db2.gz AWVKFXPTQFRBOK-XJKSGUPXSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001576171192 949750677 /nfs/dbraw/zinc/75/06/77/949750677.db2.gz PJPYHKSEDMEHLF-DZGCQCFKSA-N 1 0 387.492 1.038 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576171268 949755716 /nfs/dbraw/zinc/75/57/16/949755716.db2.gz PXWXLDZQOZRFKH-YOEHRIQHSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574718140 949760867 /nfs/dbraw/zinc/76/08/67/949760867.db2.gz SPRFQWURAHMVFS-TZMCWYRMSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](NC(=O)CCc1c[nH]cn1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575277918 949761156 /nfs/dbraw/zinc/76/11/56/949761156.db2.gz SMEYXSNCIXUROC-ZDUSSCGKSA-N 1 0 380.456 1.159 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cncc(-c2nn[nH]n2)n1 ZINC001576171473 949765772 /nfs/dbraw/zinc/76/57/72/949765772.db2.gz QZICDDHHQOXYOU-HIFRSBDPSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574718249 949773890 /nfs/dbraw/zinc/77/38/90/949773890.db2.gz ULOOFMDQOUQQFF-QWHCGFSZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574718535 949784940 /nfs/dbraw/zinc/78/49/40/949784940.db2.gz YORYLUIWJRAVMQ-CZUORRHYSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nn[nH]n1 ZINC001576172294 949799904 /nfs/dbraw/zinc/79/99/04/949799904.db2.gz WCCDZBHELSTOFI-ZIAGYGMSSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccccn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574720722 949800938 /nfs/dbraw/zinc/80/09/38/949800938.db2.gz GGBUWITYOZLGMQ-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574965881 949821601 /nfs/dbraw/zinc/82/16/01/949821601.db2.gz NYOODVVVZNGUIS-ZLENFMNRSA-N 1 0 376.486 1.482 20 0 GDADRO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574721714 949822467 /nfs/dbraw/zinc/82/24/67/949822467.db2.gz NBPGPEDJPDDICQ-AWEZNQCLSA-N 1 0 387.492 1.182 20 0 GDADRO C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574965897 949824903 /nfs/dbraw/zinc/82/49/03/949824903.db2.gz OGYDOFVQKIVCOQ-LBPRGKRZSA-N 1 0 382.472 1.795 20 0 GDADRO C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001576172973 949831268 /nfs/dbraw/zinc/83/12/68/949831268.db2.gz VYVXCRULLRBNST-WCVJEAGWSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccnn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574722676 949839249 /nfs/dbraw/zinc/83/92/49/949839249.db2.gz VIQHHSNASREIOU-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001574722754 949844411 /nfs/dbraw/zinc/84/44/11/949844411.db2.gz WVBWLSVBTDHGQN-OAHLLOKOSA-N 1 0 386.504 1.787 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1cnccn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574723679 949857704 /nfs/dbraw/zinc/85/77/04/949857704.db2.gz BGQLBLSGOKVZMZ-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001574967655 949876669 /nfs/dbraw/zinc/87/66/69/949876669.db2.gz JDYRVIFOHUGHPZ-BZNIZROVSA-N 1 0 383.431 1.977 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+][C@H]1CCc2c1cccc2F ZINC001574967986 949881313 /nfs/dbraw/zinc/88/13/13/949881313.db2.gz KUXFMQUQDNWEGG-BZNIZROVSA-N 1 0 383.431 1.977 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ncccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574724919 949882865 /nfs/dbraw/zinc/88/28/65/949882865.db2.gz MBFXTWHOJNPYAE-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575284215 949898332 /nfs/dbraw/zinc/89/83/32/949898332.db2.gz IEOLDIBYOHSQEC-WDEREUQCSA-N 1 0 380.884 1.560 20 0 GDADRO C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574725635 949903153 /nfs/dbraw/zinc/90/31/53/949903153.db2.gz UNNZXPIVFPHKGU-VIFPVBQESA-N 1 0 384.897 1.331 20 0 GDADRO C[C@H](CN(C)C(=O)COC(C)(C)C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574725983 949921817 /nfs/dbraw/zinc/92/18/17/949921817.db2.gz FCHAOWQDGGJJIV-GFCCVEGCSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@H](CN(C)C(=O)COC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574726174 949923701 /nfs/dbraw/zinc/92/37/01/949923701.db2.gz GINYBYNHVYNIAQ-GFCCVEGCSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC001574973460 949953302 /nfs/dbraw/zinc/95/33/02/949953302.db2.gz GZSYNPOUIWGXDZ-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1C[NH2+]Cc1ccccn1 ZINC001576180477 949953952 /nfs/dbraw/zinc/95/39/52/949953952.db2.gz ILEVLROWKYQTHM-CXAGYDPISA-N 1 0 380.456 1.620 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cnccn2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576180417 949955631 /nfs/dbraw/zinc/95/56/31/949955631.db2.gz HSLYHWWSMKFTAP-KBXCAEBGSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H](CN(C)C(=O)COC1CCCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574727415 949964177 /nfs/dbraw/zinc/96/41/77/949964177.db2.gz SDKCVQJGUSAMGB-ZDUSSCGKSA-N 1 0 390.463 1.902 20 0 GDADRO CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCCCC1 ZINC001575571960 949964417 /nfs/dbraw/zinc/96/44/17/949964417.db2.gz BRDWDOFNDKGCOR-AWEZNQCLSA-N 1 0 390.463 1.543 20 0 GDADRO C[C@H](CC(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)c1ccco1 ZINC001574489731 949970836 /nfs/dbraw/zinc/97/08/36/949970836.db2.gz LOBUAWPYZHKPPG-RBSFLKMASA-N 1 0 395.467 1.977 20 0 GDADRO CC(C)(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573831453 950001261 /nfs/dbraw/zinc/00/12/61/950001261.db2.gz YOOVUPJXPKUGRP-CQSZACIVSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1nnc[nH]1 ZINC001574150348 950027432 /nfs/dbraw/zinc/02/74/32/950027432.db2.gz BRCAQRRVBQQUPE-ZDUSSCGKSA-N 1 0 387.423 1.058 20 0 GDADRO C[C@H]1CCCc2ncc(C(=O)NCCN(C)c3cc[nH+]cc3-c3nn[nH]n3)n21 ZINC001576182279 950043513 /nfs/dbraw/zinc/04/35/13/950043513.db2.gz ZAOLCWOWKSVNLC-LBPRGKRZSA-N 1 0 381.444 1.222 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cncn1C ZINC001574150969 950050475 /nfs/dbraw/zinc/05/04/75/950050475.db2.gz 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C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnns1 ZINC001575902460 950258272 /nfs/dbraw/zinc/25/82/72/950258272.db2.gz VHDOXJHLCMGTSC-ZANVPECISA-N 1 0 388.432 1.250 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575902422 950258361 /nfs/dbraw/zinc/25/83/61/950258361.db2.gz USHKZZDCRUDCBG-BONVTDFDSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CCN2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192789 950264858 /nfs/dbraw/zinc/26/48/58/950264858.db2.gz OYKUGLUFNVRSLN-MAUKXSAKSA-N 1 0 383.500 1.241 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cn(C)cn1 ZINC001575902688 950267745 /nfs/dbraw/zinc/26/77/45/950267745.db2.gz WXHVTCYKJXBMED-XHDPSFHLSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cn(C)cn1 ZINC001575902687 950270669 /nfs/dbraw/zinc/27/06/69/950270669.db2.gz WXHVTCYKJXBMED-NHYWBVRUSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cc[nH]n1 ZINC001575905110 950287697 /nfs/dbraw/zinc/28/76/97/950287697.db2.gz BFEZPMIATNNLGT-ZBEGNZNMSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cscn1 ZINC001575905163 950292223 /nfs/dbraw/zinc/29/22/23/950292223.db2.gz BTABLROZJGPEDO-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccncc1 ZINC001575905183 950292460 /nfs/dbraw/zinc/29/24/60/950292460.db2.gz BVESJKJFKHFRMV-SJKOYZFVSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575905453 950295377 /nfs/dbraw/zinc/29/53/77/950295377.db2.gz COHCVZPQJIJXSX-PXAZEXFGSA-N 1 0 383.431 1.656 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccncn1 ZINC001575905786 950301799 /nfs/dbraw/zinc/30/17/99/950301799.db2.gz FMBXTMGDYQOIFH-IAQYHMDHSA-N 1 0 382.403 1.189 20 0 GDADRO CC(C)C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574159401 950307025 /nfs/dbraw/zinc/30/70/25/950307025.db2.gz HCCDMUTYELGFDS-DZGCQCFKSA-N 1 0 390.467 1.438 20 0 GDADRO C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576193688 950312147 /nfs/dbraw/zinc/31/21/47/950312147.db2.gz VJJVGPHOSRGNDH-SUMWQHHRSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CCOc1ccccc1F ZINC001574988065 950314526 /nfs/dbraw/zinc/31/45/26/950314526.db2.gz LSQXXCKURYYZJG-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C[NH2+]Cc1cncs1 ZINC001576194044 950325273 /nfs/dbraw/zinc/32/52/73/950325273.db2.gz YARGNCIQDQQCBD-NEPJUHHUSA-N 1 0 386.485 1.539 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574159917 950326633 /nfs/dbraw/zinc/32/66/33/950326633.db2.gz ZTIMWPKNUQDQOY-CYBMUJFWSA-N 1 0 382.428 1.041 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)COCC1CC1 ZINC001575907232 950331095 /nfs/dbraw/zinc/33/10/95/950331095.db2.gz NHJYHYWMGJDFGN-PXAZEXFGSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ccccc1O ZINC001575907418 950336383 /nfs/dbraw/zinc/33/63/83/950336383.db2.gz ONRACJVQYLZLIG-GUYCJALGSA-N 1 0 378.436 1.965 20 0 GDADRO CC(C)C[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574160266 950338759 /nfs/dbraw/zinc/33/87/59/950338759.db2.gz MRXYTXZRPHWBGS-LSDHHAIUSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cn(C)cn1 ZINC001575907770 950343805 /nfs/dbraw/zinc/34/38/05/950343805.db2.gz QIWBQXDXVJBPPK-NHYWBVRUSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cccnc1 ZINC001575908103 950349737 /nfs/dbraw/zinc/34/97/37/950349737.db2.gz AKGPTGAVUHESFC-KDOFPFPSSA-N 1 0 377.452 1.583 20 0 GDADRO C[C@]1(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575595681 950364036 /nfs/dbraw/zinc/36/40/36/950364036.db2.gz PUAIISRSIKNTAX-QRWLVFNGSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CCCC1CCOCC1 ZINC001574989495 950365976 /nfs/dbraw/zinc/36/59/76/950365976.db2.gz ZVZVNBFEWDPSPH-CYBMUJFWSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(C2CC2)on1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574745016 950373435 /nfs/dbraw/zinc/37/34/35/950373435.db2.gz FCCIIMNVCDPVOO-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001575908755 950378354 /nfs/dbraw/zinc/37/83/54/950378354.db2.gz DSODVUCFIPRKHW-GXFFZTMASA-N 1 0 385.453 1.422 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cc(Cl)no1 ZINC001575910617 950424295 /nfs/dbraw/zinc/42/42/95/950424295.db2.gz MLQPCYIQDHKGFC-GXFFZTMASA-N 1 0 387.831 1.901 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCn1cccn1 ZINC001575911217 950436991 /nfs/dbraw/zinc/43/69/91/950436991.db2.gz NTOIKQSXLMOXTO-RHSMWYFYSA-N 1 0 380.456 1.233 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203253 950440224 /nfs/dbraw/zinc/44/02/24/950440224.db2.gz FUBFDCBSXHWNHN-DZGCQCFKSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(Cl)n2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575911248 950443971 /nfs/dbraw/zinc/44/39/71/950443971.db2.gz OEPMTWIIRQYWAM-GWCFXTLKSA-N 1 0 386.847 1.636 20 0 GDADRO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576203656 950450493 /nfs/dbraw/zinc/45/04/93/950450493.db2.gz HYQDYNPIIGSNOD-YWPYICTPSA-N 1 0 388.451 1.001 20 0 GDADRO CC(C)CC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCC1 ZINC001574165560 950451223 /nfs/dbraw/zinc/45/12/23/950451223.db2.gz HSOIVVOJMBXMRH-CYBMUJFWSA-N 1 0 392.529 1.711 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574751176 950452929 /nfs/dbraw/zinc/45/29/29/950452929.db2.gz KSFGMODNRNNGHC-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C(C)(C)C)C1 ZINC001576204539 950462197 /nfs/dbraw/zinc/46/21/97/950462197.db2.gz PYJFRFLNKKZSAI-UKRRQHHQSA-N 1 0 386.504 1.546 20 0 GDADRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOCC1 ZINC001575605728 950476594 /nfs/dbraw/zinc/47/65/94/950476594.db2.gz QFWHJZFFEMAERD-TXEJJXNPSA-N 1 0 376.486 1.482 20 0 GDADRO C[C@@H](C[C@H](C)Nc1nccnc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204782 950479736 /nfs/dbraw/zinc/47/97/36/950479736.db2.gz RJZWEIXUHPPKPP-KBPBESRZSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@H](CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)n1cccn1 ZINC001574508682 950483022 /nfs/dbraw/zinc/48/30/22/950483022.db2.gz MBPYQXUIWUCQFD-ZDUSSCGKSA-N 1 0 386.435 1.402 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001575913624 950483951 /nfs/dbraw/zinc/48/39/51/950483951.db2.gz SOVMNUAPIBLWGN-MFKMUULPSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204970 950487945 /nfs/dbraw/zinc/48/79/45/950487945.db2.gz SYMWLUPIDISANY-ZDUSSCGKSA-N 1 0 390.467 1.439 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cnc(Cl)s2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575914626 950496849 /nfs/dbraw/zinc/49/68/49/950496849.db2.gz VGIVWUUJWMOIMN-KWQFWETISA-N 1 0 392.876 1.698 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575607055 950499260 /nfs/dbraw/zinc/49/92/60/950499260.db2.gz FWRKDKUVIPIFMZ-KSMMKXTCSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205254 950506378 /nfs/dbraw/zinc/50/63/78/950506378.db2.gz HZBKNBKUEUMZIG-KGLIPLIRSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001574509546 950514296 /nfs/dbraw/zinc/51/42/96/950514296.db2.gz WZUFBXBWRWPXNW-KGLIPLIRSA-N 1 0 382.472 1.388 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574509514 950515781 /nfs/dbraw/zinc/51/57/81/950515781.db2.gz WJKOCJUBRIGXRO-STQMWFEESA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](C[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205466 950520250 /nfs/dbraw/zinc/52/02/50/950520250.db2.gz YVPWVZOCGFVYAP-ZIAGYGMSSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575608797 950520890 /nfs/dbraw/zinc/52/08/90/950520890.db2.gz SETMQKJWFSASMK-KPAZRMRSSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cscn1 ZINC001575915839 950523911 /nfs/dbraw/zinc/52/39/11/950523911.db2.gz XMUYHQXXNVNQKI-BLLLJJGKSA-N 1 0 383.481 1.645 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ccncc1F ZINC001575915895 950525924 /nfs/dbraw/zinc/52/59/24/950525924.db2.gz XUIHOEULEJAXBI-SJCJKPOMSA-N 1 0 381.415 1.794 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001573868623 950545754 /nfs/dbraw/zinc/54/57/54/950545754.db2.gz FJLNJUYRKJYVBW-HNNXBMFYSA-N 1 0 387.488 1.798 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)CCCOC1 ZINC001575614991 950565623 /nfs/dbraw/zinc/56/56/23/950565623.db2.gz YDABSRMTKMZLOD-NHAYFPRASA-N 1 0 382.468 1.230 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574999445 950580011 /nfs/dbraw/zinc/58/00/11/950580011.db2.gz KANMGHPVFFJPNQ-LLVKDONJSA-N 1 0 381.444 1.127 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[nH]n4)nc3)C2)C1 ZINC001576207424 950592901 /nfs/dbraw/zinc/59/29/01/950592901.db2.gz HTTWKJLPPGBACC-SOUVJXGZSA-N 1 0 384.488 1.300 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1 ZINC001573871558 950619988 /nfs/dbraw/zinc/61/99/88/950619988.db2.gz RXRUIOQMEKFKLX-MRXNPFEDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576208977 950622776 /nfs/dbraw/zinc/62/27/76/950622776.db2.gz WWJCHZFZYUPXCB-LBPRGKRZSA-N 1 0 376.440 1.049 20 0 GDADRO CC1(C)C(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1(C)C ZINC001575619858 950623124 /nfs/dbraw/zinc/62/31/24/950623124.db2.gz RDKOPOLVGZSSJB-JTQLQIEISA-N 1 0 378.502 1.177 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)no1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575001181 950623941 /nfs/dbraw/zinc/62/39/41/950623941.db2.gz UYPMAFFORKFORX-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)C1CC1 ZINC001574516960 950640109 /nfs/dbraw/zinc/64/01/09/950640109.db2.gz JFDXICOMIGGZGH-MYRBDLLGSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)no1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575001890 950646531 /nfs/dbraw/zinc/64/65/31/950646531.db2.gz OFGSEALJUXXXSZ-JTQLQIEISA-N 1 0 375.820 1.758 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cccc1 ZINC001574518705 950653714 /nfs/dbraw/zinc/65/37/14/950653714.db2.gz PWIRJLWXOQALIP-FEUVXWNVSA-N 1 0 391.479 1.866 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)C1CC1 ZINC001574519614 950688114 /nfs/dbraw/zinc/68/81/14/950688114.db2.gz WXUPTFPDYZFLPY-MYRBDLLGSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCCC2 ZINC001575927129 950734029 /nfs/dbraw/zinc/73/40/29/950734029.db2.gz NRPKOPQTFBLBOU-SWLSCSKDSA-N 1 0 392.467 1.606 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576216678 950740703 /nfs/dbraw/zinc/74/07/03/950740703.db2.gz FEXSYVQRDJFDHD-RYUDHWBXSA-N 1 0 391.426 1.625 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001576217012 950750683 /nfs/dbraw/zinc/75/06/83/950750683.db2.gz FYNWKZZHZUBVCQ-HIFRSBDPSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccc2[nH]ccc21 ZINC001575927731 950757262 /nfs/dbraw/zinc/75/72/62/950757262.db2.gz SYBVOHVKTODGTI-MLGOLLRUSA-N 1 0 388.435 1.880 20 0 GDADRO CC(C)(C)c1ccc(C(=O)NCC=CCNc2cc[nH+]cc2-c2nn[nH]n2)nc1 ZINC001573881957 950761354 /nfs/dbraw/zinc/76/13/54/950761354.db2.gz LHZRIFLZZMLJBI-PLNGDYQASA-N 1 0 392.467 1.774 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cncs1 ZINC001574522180 950789762 /nfs/dbraw/zinc/78/97/62/950789762.db2.gz JCKHOWAHQSRQNA-CHWSQXEVSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575930197 950791467 /nfs/dbraw/zinc/79/14/67/950791467.db2.gz DXRMHQFDEQLTEJ-RISCZKNCSA-N 1 0 388.451 1.144 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575632245 950793549 /nfs/dbraw/zinc/79/35/49/950793549.db2.gz DPUKZWCTZGNVEW-CQSZACIVSA-N 1 0 390.463 1.399 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575632500 950798757 /nfs/dbraw/zinc/79/87/57/950798757.db2.gz KBTYOMVYIIBMAW-GFCCVEGCSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncc(F)cc1F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574766174 950807750 /nfs/dbraw/zinc/80/77/50/950807750.db2.gz LHPBKJDZKQECLD-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CCc1c(F)cccc1F ZINC001575010128 950814701 /nfs/dbraw/zinc/81/47/01/950814701.db2.gz BAGTVDCPEBQHEA-LLVKDONJSA-N 1 0 389.410 1.766 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cc[nH]n1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574523836 950835749 /nfs/dbraw/zinc/83/57/49/950835749.db2.gz RBICFOUBVRLQFQ-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ncc[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574523864 950836845 /nfs/dbraw/zinc/83/68/45/950836845.db2.gz RMOLWQDCHNPASM-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO CC(C)c1nnsc1C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574767382 950849164 /nfs/dbraw/zinc/84/91/64/950849164.db2.gz NHYGZXFLHARGJW-JTQLQIEISA-N 1 0 387.473 1.231 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1CCOCC1 ZINC001574524193 950850939 /nfs/dbraw/zinc/85/09/39/950850939.db2.gz UTNGPNCIBLNUTE-NWDGAFQWSA-N 1 0 378.502 1.728 20 0 GDADRO C[C@@H]1CN(C(=O)C(F)F)CC[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576221662 950856316 /nfs/dbraw/zinc/85/63/16/950856316.db2.gz VWKQVKZJAXOMJZ-PWSUYJOCSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC1(O)CCC1 ZINC001574524475 950862969 /nfs/dbraw/zinc/86/29/69/950862969.db2.gz WWWGCWIZJFGLTN-STQMWFEESA-N 1 0 390.463 1.684 20 0 GDADRO CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573888535 950870315 /nfs/dbraw/zinc/87/03/15/950870315.db2.gz VOLPXZXQCUOXCU-XYPYZODXSA-N 1 0 382.428 1.342 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1cnoc1 ZINC001574524842 950870814 /nfs/dbraw/zinc/87/08/14/950870814.db2.gz ZQWHXPBWBXGIGS-RYUDHWBXSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CC(C)(C)O)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574524728 950872004 /nfs/dbraw/zinc/87/20/04/950872004.db2.gz YWCHGUXRUXCQNJ-NEPJUHHUSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnn(C)c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574527222 950881181 /nfs/dbraw/zinc/88/11/81/950881181.db2.gz AUQFRODDEKXFTA-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576226437 950883663 /nfs/dbraw/zinc/88/36/63/950883663.db2.gz BIHWYORZWMPAQL-RHSMWYFYSA-N 1 0 384.484 1.477 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccn(C)n1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574527552 950889455 /nfs/dbraw/zinc/88/94/55/950889455.db2.gz DHEFMAMETBHPIN-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)CCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574189692 950899564 /nfs/dbraw/zinc/89/95/64/950899564.db2.gz QDLZDGZTARCALY-FQEVSTJZSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccnnc1 ZINC001574527698 950902260 /nfs/dbraw/zinc/90/22/60/950902260.db2.gz GATVZFKNJLXANN-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccnnc1 ZINC001574527954 950913537 /nfs/dbraw/zinc/91/35/37/950913537.db2.gz IWGYDERKHVVFEV-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnccn1 ZINC001574528309 950933040 /nfs/dbraw/zinc/93/30/40/950933040.db2.gz MHDAOOZZGZPVAK-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C12CC[NH+](CC1)C2 ZINC001574771642 950933145 /nfs/dbraw/zinc/93/31/45/950933145.db2.gz IHZBPHZFBQDBOV-CYBMUJFWSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1csc(=O)[nH]1 ZINC001574528707 950939630 /nfs/dbraw/zinc/93/96/30/950939630.db2.gz ODHKPRROVNEPBL-GHMZBOCLSA-N 1 0 387.469 1.716 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccnn1C ZINC001574528895 950939912 /nfs/dbraw/zinc/93/99/12/950939912.db2.gz ONXMCJJTNGIZQV-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1csc(=O)[nH]1 ZINC001574528711 950940125 /nfs/dbraw/zinc/94/01/25/950940125.db2.gz ODHKPRROVNEPBL-QWRGUYRKSA-N 1 0 387.469 1.716 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccn(C)n1 ZINC001574528705 950941561 /nfs/dbraw/zinc/94/15/61/950941561.db2.gz OBZFEKCXXACGCB-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576228753 950953397 /nfs/dbraw/zinc/95/33/97/950953397.db2.gz KQZJVDYCZLZXEI-DOMZBBRYSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574529836 950961946 /nfs/dbraw/zinc/96/19/46/950961946.db2.gz AOBLEIUAJBZYOV-CHWSQXEVSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574530171 950971624 /nfs/dbraw/zinc/97/16/24/950971624.db2.gz SUQHNQJLKKSORV-QWHCGFSZSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CCOC1 ZINC001574772383 950971751 /nfs/dbraw/zinc/97/17/51/950971751.db2.gz SFUXCKWSVLYMFF-QWHCGFSZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ncccc1O ZINC001574530253 950973195 /nfs/dbraw/zinc/97/31/95/950973195.db2.gz ULFFDHOIIWMHOU-QWHCGFSZSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576229860 950984770 /nfs/dbraw/zinc/98/47/70/950984770.db2.gz OMZKMJJNKCVCKX-BBRMVZONSA-N 1 0 381.484 1.913 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cnccn1 ZINC001574530566 950988555 /nfs/dbraw/zinc/98/85/55/950988555.db2.gz VRXOEUOGENQFMZ-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnn(C)c1 ZINC001574530699 950993381 /nfs/dbraw/zinc/99/33/81/950993381.db2.gz VXOAMEJZOUZJCM-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)c1ccc(C(=O)NC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)c(=O)[nH]1 ZINC001575017404 950993547 /nfs/dbraw/zinc/99/35/47/950993547.db2.gz FEHRHGXKHCECLP-NSHDSACASA-N 1 0 382.428 1.138 20 0 GDADRO C[C@H](CNC(=O)c1ccc2n[nH]nc2c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575024445 951105494 /nfs/dbraw/zinc/10/54/94/951105494.db2.gz DWTKKKGVDQZLSN-GFCCVEGCSA-N 1 0 391.439 1.388 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575024642 951110480 /nfs/dbraw/zinc/11/04/80/951110480.db2.gz JWHNNLRCQDRFIL-ZDUSSCGKSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2n[nH]nc2c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575025360 951131056 /nfs/dbraw/zinc/13/10/56/951131056.db2.gz YIJWZBKLKUVTCO-NSHDSACASA-N 1 0 377.412 1.046 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575027575 951160515 /nfs/dbraw/zinc/16/05/15/951160515.db2.gz GKAGVPHFDCGXPP-ZDUSSCGKSA-N 1 0 380.456 1.582 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575035219 951271422 /nfs/dbraw/zinc/27/14/22/951271422.db2.gz HUWZBCZNYRSWNP-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](CNC(=O)c1ccoc1Br)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575039120 951326613 /nfs/dbraw/zinc/32/66/13/951326613.db2.gz NSHAXZGEHABTNB-QMMMGPOBSA-N 1 0 392.217 1.270 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575043092 951379145 /nfs/dbraw/zinc/37/91/45/951379145.db2.gz OTGBXCXUKBPQTR-SECBINFHSA-N 1 0 391.386 1.188 20 0 GDADRO C[C@@H](CNC(=O)c1cncnc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575047154 951451992 /nfs/dbraw/zinc/45/19/92/951451992.db2.gz YAJIVLXJHZOFCW-LBPRGKRZSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2c1CCC2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575053225 951476706 /nfs/dbraw/zinc/47/67/06/951476706.db2.gz AICDKSVRIOKEIL-NSHDSACASA-N 1 0 384.419 1.057 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575054609 951493839 /nfs/dbraw/zinc/49/38/39/951493839.db2.gz YYWUENZDSAQMQA-VIFPVBQESA-N 1 0 377.359 1.108 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C2CC2)n1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575055995 951515672 /nfs/dbraw/zinc/51/56/72/951515672.db2.gz DFMVTLNIXFCLHG-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575060742 951547596 /nfs/dbraw/zinc/54/75/96/951547596.db2.gz FFKDPMFRHMAVQG-JTQLQIEISA-N 1 0 386.485 1.438 20 0 GDADRO C[C@@H](CNC(=O)c1nc(Cl)cs1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575060855 951550481 /nfs/dbraw/zinc/55/04/81/951550481.db2.gz IGICCXLAJHBWPA-VIFPVBQESA-N 1 0 377.861 1.885 20 0 GDADRO C[C@H](CNC(=O)c1nc(Cl)cs1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575061965 951563063 /nfs/dbraw/zinc/56/30/63/951563063.db2.gz SDJWNDIDOLFYRE-QMMMGPOBSA-N 1 0 378.849 1.272 20 0 GDADRO C[C@H](CNC(=O)c1ncc(Cl)s1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575061939 951564686 /nfs/dbraw/zinc/56/46/86/951564686.db2.gz RKDLJWULEVZNSR-QMMMGPOBSA-N 1 0 378.849 1.272 20 0 GDADRO C[C@H](CNC(=O)c1nn(C)cc1Cl)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575064604 951572875 /nfs/dbraw/zinc/57/28/75/951572875.db2.gz ARYYCYQKAYKQBW-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H](CNC(=O)c1nnc2ccccc2n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575066970 951602278 /nfs/dbraw/zinc/60/22/78/951602278.db2.gz OFOVKEXQFOKXDP-LBPRGKRZSA-N 1 0 389.423 1.113 20 0 GDADRO C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067336 951608987 /nfs/dbraw/zinc/60/89/87/951608987.db2.gz KZJLWIMFGFHIPE-LBPRGKRZSA-N 1 0 383.460 1.121 20 0 GDADRO C[C@H](CNC(=O)c1occ2c1CCC2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575067534 951614062 /nfs/dbraw/zinc/61/40/62/951614062.db2.gz UZPZXPVRQZZFAB-LLVKDONJSA-N 1 0 384.415 1.996 20 0 GDADRO C[C@@H](CNC(=O)c1occ2c1CCC2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575067535 951614419 /nfs/dbraw/zinc/61/44/19/951614419.db2.gz UZPZXPVRQZZFAB-NSHDSACASA-N 1 0 384.415 1.996 20 0 GDADRO C[C@@H](CNC(=O)c1ncc2n1CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575068261 951632661 /nfs/dbraw/zinc/63/26/61/951632661.db2.gz YWNYQXLWGUHZOH-ZDUSSCGKSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)C1CCC(O)CC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077092 951660648 /nfs/dbraw/zinc/66/06/48/951660648.db2.gz CAYXNFXPUGUUFU-FUJMWEONSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077184 951662328 /nfs/dbraw/zinc/66/23/28/951662328.db2.gz AAHHELUUKVPDHF-KBPBESRZSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)c1cnns1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077204 951663857 /nfs/dbraw/zinc/66/38/57/951663857.db2.gz ALSLGAFONFCNHL-SECBINFHSA-N 1 0 376.421 1.013 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cc(F)c[nH]1 ZINC001575077391 951667519 /nfs/dbraw/zinc/66/75/19/951667519.db2.gz CHGZHHZZKAQJDZ-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](CNC(=O)COC(C)(C)C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077672 951674593 /nfs/dbraw/zinc/67/45/93/951674593.db2.gz ICKUMFZJHYEVMG-GFCCVEGCSA-N 1 0 378.452 1.663 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCOCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078152 951678121 /nfs/dbraw/zinc/67/81/21/951678121.db2.gz JJNHBLTZNYGMEJ-KGLIPLIRSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001575078600 951682348 /nfs/dbraw/zinc/68/23/48/951682348.db2.gz KZKHXDOPNUVYIW-NWDGAFQWSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001575078598 951682837 /nfs/dbraw/zinc/68/28/37/951682837.db2.gz KZKHXDOPNUVYIW-NEPJUHHUSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078941 951685755 /nfs/dbraw/zinc/68/57/55/951685755.db2.gz BEXXSDDYMNFORD-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCc1c[nH]cn1 ZINC001575079080 951687449 /nfs/dbraw/zinc/68/74/49/951687449.db2.gz PQARVRRGZCRTOX-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@@H](CNC(=O)[C@@]1(C)CCCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079277 951690939 /nfs/dbraw/zinc/69/09/39/951690939.db2.gz MYKSLRJPUJNLSR-YJYMSZOUSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@H]1CCOC1 ZINC001575079500 951692547 /nfs/dbraw/zinc/69/25/47/951692547.db2.gz QDCMIPAVBYYXBZ-QWHCGFSZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1cnsn1 ZINC001575079828 951697941 /nfs/dbraw/zinc/69/79/41/951697941.db2.gz GQNDTUSKXPVNTF-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575080144 951704196 /nfs/dbraw/zinc/70/41/96/951704196.db2.gz WEIXVAFYJONDOH-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)Cc1cscn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080194 951706845 /nfs/dbraw/zinc/70/68/45/951706845.db2.gz PMDUJAYRGZIPMZ-LLVKDONJSA-N 1 0 389.460 1.547 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cc1cccnc1 ZINC001575080444 951709714 /nfs/dbraw/zinc/70/97/14/951709714.db2.gz MALHWBNUNRSTRE-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575080898 951717406 /nfs/dbraw/zinc/71/74/06/951717406.db2.gz ZYZUOGIPBWIOLE-KPZWWZAWSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)c1cnco1)C1CC1 ZINC001575082033 951728834 /nfs/dbraw/zinc/72/88/34/951728834.db2.gz UNYGWIDAUMVHPH-GOSISDBHSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088680 951741519 /nfs/dbraw/zinc/74/15/19/951741519.db2.gz AFYIHEVGMWVEEE-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575088710 951742905 /nfs/dbraw/zinc/74/29/05/951742905.db2.gz BEHGORNJWBCJOO-PIGZYNQJSA-N 1 0 376.486 1.339 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cscn1 ZINC001575089881 951754632 /nfs/dbraw/zinc/75/46/32/951754632.db2.gz IFKOHVBWQOMBCO-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001575090996 951766153 /nfs/dbraw/zinc/76/61/53/951766153.db2.gz MQWREYHQOVTLAH-IBGZPJMESA-N 1 0 380.456 1.207 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1ncccn1)C1CC1 ZINC001575091090 951767929 /nfs/dbraw/zinc/76/79/29/951767929.db2.gz NVCWIGUWOHITAV-LJQANCHMSA-N 1 0 378.440 1.345 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091124 951770009 /nfs/dbraw/zinc/77/00/09/951770009.db2.gz PKRLXFSYJCWTFV-ZIAGYGMSSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1csc(=O)[nH]1 ZINC001575091220 951771999 /nfs/dbraw/zinc/77/19/99/951771999.db2.gz QETMHEIEIYJCGA-VIFPVBQESA-N 1 0 391.432 1.418 20 0 GDADRO C[C@H](CNC(=O)C1(CCF)CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091748 951781911 /nfs/dbraw/zinc/78/19/11/951781911.db2.gz XLTMRLKFHCYCRA-LBPRGKRZSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCCn1cccn1 ZINC001575092276 951793216 /nfs/dbraw/zinc/79/32/16/951793216.db2.gz BSPIPFHZTBJLHE-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)on1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092563 951794948 /nfs/dbraw/zinc/79/49/48/951794948.db2.gz FBHVKFSHWNMDHM-GFCCVEGCSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc(C2CC2)no1 ZINC001575094850 951806162 /nfs/dbraw/zinc/80/61/62/951806162.db2.gz 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20 0 GDADRO C[C@H](CNC(=O)[C@H](C)C(F)(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099388 951832680 /nfs/dbraw/zinc/83/26/80/951832680.db2.gz LGHIPRGHBMFPHV-IUCAKERBSA-N 1 0 376.408 1.969 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575100922 951849655 /nfs/dbraw/zinc/84/96/55/951849655.db2.gz WQFXIDLAKHYWIM-STQMWFEESA-N 1 0 378.502 1.681 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101199 951855230 /nfs/dbraw/zinc/85/52/30/951855230.db2.gz AVITXIKIEHPZDJ-MDRZDLKXSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575101372 951857216 /nfs/dbraw/zinc/85/72/16/951857216.db2.gz CIQNFPCMNFBNRK-DIFFPNOSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575102354 951867398 /nfs/dbraw/zinc/86/73/98/951867398.db2.gz LOTPUSWWDDYSLG-DJJJIMSYSA-N 1 0 388.447 1.417 20 0 GDADRO 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HWZXEQAPYMAFTK-SFHVURJKSA-N 1 0 377.452 1.917 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575214150 952562423 /nfs/dbraw/zinc/56/24/23/952562423.db2.gz JPWBWWQCYYJFOF-CYBMUJFWSA-N 1 0 382.415 1.115 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cc(C)n1 ZINC001571128438 952567446 /nfs/dbraw/zinc/56/74/46/952567446.db2.gz SAZPEJPCCRIVQI-GOSISDBHSA-N 1 0 377.452 1.883 20 0 GDADRO Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nc1C ZINC001571134133 952586178 /nfs/dbraw/zinc/58/61/78/952586178.db2.gz FABARNCUZQQGCU-YVEFUNNKSA-N 1 0 378.440 1.268 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccn1 ZINC001571135104 952599267 /nfs/dbraw/zinc/59/92/67/952599267.db2.gz PEYAASXIZODQMV-XJKSGUPXSA-N 1 0 378.440 1.440 20 0 GDADRO Cc1n[nH]cc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571135408 952603982 /nfs/dbraw/zinc/60/39/82/952603982.db2.gz VJPHDCORHGHNBH-NVXWUHKLSA-N 1 0 378.440 1.245 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571139091 952619606 /nfs/dbraw/zinc/61/96/06/952619606.db2.gz BSQVCBPVOGUQKX-VXGBXAGGSA-N 1 0 379.415 1.824 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1n[nH]c2c1CCC2 ZINC001571140562 952627608 /nfs/dbraw/zinc/62/76/08/952627608.db2.gz CZGCMDCSNNAOAB-AWEZNQCLSA-N 1 0 378.440 1.083 20 0 GDADRO O=C(Cc1cccnc1)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571141103 952630527 /nfs/dbraw/zinc/63/05/27/952630527.db2.gz GSZRHVRKKHOCOA-SHTZXODSSA-N 1 0 378.440 1.161 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]1C[NH2+]CC1CC(F)(F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571141339 952633941 /nfs/dbraw/zinc/63/39/41/952633941.db2.gz XODKQOYFACPDAF-WCQYABFASA-N 1 0 379.415 1.728 20 0 GDADRO Cc1ncncc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571141602 952635283 /nfs/dbraw/zinc/63/52/83/952635283.db2.gz IZDLVXZZRKBLPE-INIZCTEOSA-N 1 0 378.440 1.312 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ncccc1O ZINC001571142090 952639109 /nfs/dbraw/zinc/63/91/09/952639109.db2.gz PCMXKEJAFANGKN-CTYIDZIISA-N 1 0 379.424 1.266 20 0 GDADRO COc1cccc(C(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571142391 952641198 /nfs/dbraw/zinc/64/11/98/952641198.db2.gz TUUNPRUHUGOYFU-MQMHXKEQSA-N 1 0 379.424 1.313 20 0 GDADRO O=C(c1cccnn1)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571142334 952641205 /nfs/dbraw/zinc/64/12/05/952641205.db2.gz PQILIECQNJIQJZ-UHFFFAOYSA-N 1 0 378.440 1.299 20 0 GDADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1)c1cnco1 ZINC001571142534 952643024 /nfs/dbraw/zinc/64/30/24/952643024.db2.gz WTOBNZHWOFRYSH-MQVJKMGUSA-N 1 0 379.424 1.780 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(-c3nn[nH]n3)c2Br)C1 ZINC001571142537 952643081 /nfs/dbraw/zinc/64/30/81/952643081.db2.gz UEWFXCYQDVTECT-SNVBAGLBSA-N 1 0 379.262 1.653 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)no1 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/nfs/dbraw/zinc/67/82/85/952678285.db2.gz VGFXEEHMZVVROZ-RMVLQADPSA-N 1 0 379.468 1.557 20 0 GDADRO O=C([C@H]1CC1(F)F)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571153918 952688386 /nfs/dbraw/zinc/68/83/86/952688386.db2.gz VOKFFHGGGAFPAH-CHWSQXEVSA-N 1 0 380.374 1.742 20 0 GDADRO Cc1cc(N[C@@H]2C[C@H](NC(=O)c3ccon3)C23CCC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001571157881 952708373 /nfs/dbraw/zinc/70/83/73/952708373.db2.gz BKZNHOOPJUNKKF-CABCVRRESA-N 1 0 380.412 1.133 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165580 952753892 /nfs/dbraw/zinc/75/38/92/952753892.db2.gz GBMZODXPEDTVAX-BBRMVZONSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H]([NH2+]Cc1cccnc1)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571165933 952756271 /nfs/dbraw/zinc/75/62/71/952756271.db2.gz JDKUDUOTRRUNKI-HIFRSBDPSA-N 1 0 380.456 1.620 20 0 GDADRO CC(C)n1nccc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571166850 952766197 /nfs/dbraw/zinc/76/61/97/952766197.db2.gz QLSKMUDHTCRSOR-OAHLLOKOSA-N 1 0 380.456 1.648 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1Cc1cncc(C)c1 ZINC001571166913 952766860 /nfs/dbraw/zinc/76/68/60/952766860.db2.gz RNQWNDFTEUTYMM-WMLDXEAASA-N 1 0 380.456 1.681 20 0 GDADRO CCn1cnc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001571169343 952772384 /nfs/dbraw/zinc/77/23/84/952772384.db2.gz ADNRILDMNRERRU-MRXNPFEDSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1c[nH]c(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)n1 ZINC001571169496 952774883 /nfs/dbraw/zinc/77/48/83/952774883.db2.gz FBPCANYHRADTIL-CZUORRHYSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1cncc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)c1 ZINC001571169639 952775790 /nfs/dbraw/zinc/77/57/90/952775790.db2.gz IWRICBHLSBFOKI-ZFWWWQNUSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1cncn1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169660 952777391 /nfs/dbraw/zinc/77/73/91/952777391.db2.gz JVNLLESCZVHZGL-MRXNPFEDSA-N 1 0 380.456 1.152 20 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Cc1ccc([C@H](C)C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571180477 952860423 /nfs/dbraw/zinc/86/04/23/952860423.db2.gz OYPFDGRIPNVEDU-UONOGXRCSA-N 1 0 381.440 1.970 20 0 GDADRO CCc1cc(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC001571182683 952867530 /nfs/dbraw/zinc/86/75/30/952867530.db2.gz BMRIKJFLOKEOMP-UHFFFAOYSA-N 1 0 381.440 1.715 20 0 GDADRO O=C(NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(F)cn1 ZINC001571182802 952869872 /nfs/dbraw/zinc/86/98/72/952869872.db2.gz GEYVAIFGOUJQOV-UHFFFAOYSA-N 1 0 381.415 1.795 20 0 GDADRO O=C(NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccc(CF)cc1 ZINC001571182923 952871143 /nfs/dbraw/zinc/87/11/43/952871143.db2.gz JUZDHKHFRGCPPX-AWEZNQCLSA-N 1 0 381.415 1.988 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC001571183378 952877812 /nfs/dbraw/zinc/87/78/12/952877812.db2.gz ZADDTYHKGWSUHV-OKILXGFUSA-N 1 0 381.415 1.538 20 0 GDADRO Cc1[nH]nc(C(=O)N2CCC(C)(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)c1C ZINC001571184614 952895164 /nfs/dbraw/zinc/89/51/64/952895164.db2.gz BFZNGTJMDYLQFS-UHFFFAOYSA-N 1 0 381.444 1.130 20 0 GDADRO CCn1cc(C(=O)N2CCC[C@@H]2CN(C)c2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001571185025 952899902 /nfs/dbraw/zinc/89/99/02/952899902.db2.gz GUXLKWUBLNNKRI-CQSZACIVSA-N 1 0 381.444 1.219 20 0 GDADRO CCn1nccc1C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571186138 952905564 /nfs/dbraw/zinc/90/55/64/952905564.db2.gz TZMUDSUFOZIYCR-BXUZGUMPSA-N 1 0 381.444 1.041 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)c3ccnn3C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188676 952918782 /nfs/dbraw/zinc/91/87/82/952918782.db2.gz MNJTYBHKPDPGHH-JSGCOSHPSA-N 1 0 381.444 1.091 20 0 GDADRO Cc1cc(C[NH2+]C2(C)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)ncn1 ZINC001571188872 952921561 /nfs/dbraw/zinc/92/15/61/952921561.db2.gz ONXVSWZFHYNCHH-UHFFFAOYSA-N 1 0 381.444 1.078 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]21)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571190048 952938760 /nfs/dbraw/zinc/93/87/60/952938760.db2.gz DDJZGEWWGIEPCG-QLPKVWCKSA-N 1 0 381.484 1.825 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1ccncn1 ZINC001571197193 952987482 /nfs/dbraw/zinc/98/74/82/952987482.db2.gz UASJPNXFGLWABO-SMDDNHRTSA-N 1 0 382.403 1.189 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccoc3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC001571199770 953003714 /nfs/dbraw/zinc/00/37/14/953003714.db2.gz BPDOTRKFFRKUTG-MLGOLLRUSA-N 1 0 382.424 1.719 20 0 GDADRO O=C(c1ccnnc1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571200308 953008843 /nfs/dbraw/zinc/00/88/43/953008843.db2.gz HKMVWLVLJFBUHK-AWEZNQCLSA-N 1 0 382.403 1.190 20 0 GDADRO O=C(c1ncc[nH]1)N1CC2(C1)CC[N@@H+](Cc1cc(-c3nn[nH]n3)ccc1F)C2 ZINC001571200516 953009672 /nfs/dbraw/zinc/00/96/72/953009672.db2.gz JGDLAQDOKAAYND-UHFFFAOYSA-N 1 0 382.403 1.077 20 0 GDADRO O=C(c1ccncn1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571201487 953018519 /nfs/dbraw/zinc/01/85/19/953018519.db2.gz QNIVTJOVZKRDHJ-ZDUSSCGKSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1nocc1C(=O)N[C@H]1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202670 953028096 /nfs/dbraw/zinc/02/80/96/953028096.db2.gz XLAZJIINOKMXPV-OLZOCXBDSA-N 1 0 382.428 1.442 20 0 GDADRO Cc1cc(CCC(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001571202749 953028199 /nfs/dbraw/zinc/02/81/99/953028199.db2.gz YCZMCFUUOGSKSV-CQSZACIVSA-N 1 0 382.428 1.016 20 0 GDADRO Cc1ncoc1C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001571206290 953049066 /nfs/dbraw/zinc/04/90/66/953049066.db2.gz OEISXVHHIIOREI-SFHVURJKSA-N 1 0 382.428 1.229 20 0 GDADRO Cc1ncoc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571206554 953052670 /nfs/dbraw/zinc/05/26/70/953052670.db2.gz QVPPPAQNUDCYII-SGTLLEGYSA-N 1 0 382.428 1.276 20 0 GDADRO Cc1nonc1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001571207341 953061860 /nfs/dbraw/zinc/06/18/60/953061860.db2.gz YCIROGATSZAZLW-ABAIWWIYSA-N 1 0 382.428 1.341 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)C1=CCCC1 ZINC001571209776 953066656 /nfs/dbraw/zinc/06/66/56/953066656.db2.gz DKJILNZWCQTIFE-OSYLJGHBSA-N 1 0 382.443 1.910 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1=CCCC1 ZINC001571209888 953069002 /nfs/dbraw/zinc/06/90/02/953069002.db2.gz HUVTWNRTDNTVCF-OSYLJGHBSA-N 1 0 382.443 1.910 20 0 GDADRO O=C([C@@H]1CCOC1)N1CC[C@@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571209892 953069115 /nfs/dbraw/zinc/06/91/15/953069115.db2.gz HVFARUKSPCMYGE-YLJYHZDGSA-N 1 0 382.468 1.328 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@H](CNC(=O)C2=CCCC2)C1 ZINC001571210166 953070232 /nfs/dbraw/zinc/07/02/32/953070232.db2.gz NGVZQPDNJWWLMA-WJYNOGRTSA-N 1 0 382.468 1.970 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1=COCCC1 ZINC001571210375 953071076 /nfs/dbraw/zinc/07/10/76/953071076.db2.gz QCZCDXBMVLTIAW-AEFFLSMTSA-N 1 0 382.468 1.936 20 0 GDADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571213685 953096480 /nfs/dbraw/zinc/09/64/80/953096480.db2.gz UIRPIFKFCSWXCH-MLHJIOFPSA-N 1 0 382.468 1.515 20 0 GDADRO O=C(CC(F)(F)F)N1CCC(CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571217827 953110915 /nfs/dbraw/zinc/11/09/15/953110915.db2.gz PNAIIKDKPLOHQF-UHFFFAOYSA-N 1 0 383.378 1.677 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001571219323 953125278 /nfs/dbraw/zinc/12/52/78/953125278.db2.gz XMCOPVDFSBTJJO-DTWKUNHWSA-N 1 0 382.881 1.084 20 0 GDADRO COc1cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@H]2C)on1 ZINC001571219716 953126849 /nfs/dbraw/zinc/12/68/49/953126849.db2.gz QRXBSYVZUQFIPT-RISCZKNCSA-N 1 0 383.412 1.256 20 0 GDADRO COc1cc(C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)on1 ZINC001571219758 953127521 /nfs/dbraw/zinc/12/75/21/953127521.db2.gz SCRQHFAVCUTHPQ-GFCCVEGCSA-N 1 0 383.412 1.115 20 0 GDADRO Cc1nonc1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001571224744 953150419 /nfs/dbraw/zinc/15/04/19/953150419.db2.gz FLJAURKMLPOWFI-AAEUAGOBSA-N 1 0 383.416 1.049 20 0 GDADRO Cc1c[nH]cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571229355 953169187 /nfs/dbraw/zinc/16/91/87/953169187.db2.gz CSTYIYNPMUZZFZ-SJKOYZFVSA-N 1 0 383.431 1.893 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571229744 953171330 /nfs/dbraw/zinc/17/13/30/953171330.db2.gz LXZHYTGERONRJL-PXAZEXFGSA-N 1 0 383.431 1.656 20 0 GDADRO CCc1[nH]ccc1C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571229798 953172270 /nfs/dbraw/zinc/17/22/70/953172270.db2.gz NXLGKCFERBIXAX-AWEZNQCLSA-N 1 0 383.431 1.901 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571230608 953178160 /nfs/dbraw/zinc/17/81/60/953178160.db2.gz YQULRHBAHKIHOZ-PXAZEXFGSA-N 1 0 383.431 1.513 20 0 GDADRO CCc1ncsc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233899 953196725 /nfs/dbraw/zinc/19/67/25/953196725.db2.gz HKCBJEGBSYCICJ-CQSZACIVSA-N 1 0 383.481 1.890 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)Cc3cccs3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233930 953197407 /nfs/dbraw/zinc/19/74/07/953197407.db2.gz IGRMRABGXBVQEG-MEDUHNTESA-N 1 0 383.481 1.555 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)[C@H]2C)[nH]n1 ZINC001571238886 953233671 /nfs/dbraw/zinc/23/36/71/953233671.db2.gz BRQAXUIQPSUTQQ-IAQYHMDHSA-N 1 0 384.419 1.430 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cc[nH]n1 ZINC001571239571 953240670 /nfs/dbraw/zinc/24/06/70/953240670.db2.gz MSKJWVZWAZNODX-AAEUAGOBSA-N 1 0 384.419 1.512 20 0 GDADRO CN(C(=O)c1cncn1C)C1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239981 953244642 /nfs/dbraw/zinc/24/46/42/953244642.db2.gz WNNUQOVXFCKFHU-UHFFFAOYSA-N 1 0 384.419 1.132 20 0 GDADRO O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ccn[nH]1 ZINC001571241524 953247216 /nfs/dbraw/zinc/24/72/16/953247216.db2.gz 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O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171454438 530599810 /nfs/dbraw/zinc/59/98/10/530599810.db2.gz ZJTHRXXRZPUWEJ-NSHDSACASA-N 1 0 377.919 1.377 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171449727 530599950 /nfs/dbraw/zinc/59/99/50/530599950.db2.gz KTTNBOVFJDFZHN-DZGCQCFKSA-N 1 0 385.917 1.704 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)c(=O)n(C)c1=O ZINC000171786750 530603667 /nfs/dbraw/zinc/60/36/67/530603667.db2.gz DCNCXORDBMYEBU-ZDUSSCGKSA-N 1 0 393.285 1.215 20 0 GDADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCS(=O)(=O)NC(C)C)C1 ZINC000171848512 530604085 /nfs/dbraw/zinc/60/40/85/530604085.db2.gz WKOKZEDMZHRWGG-HNNXBMFYSA-N 1 0 376.567 1.514 20 0 GDADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCS(=O)(=O)NC(C)C)C1 ZINC000171848509 530604172 /nfs/dbraw/zinc/60/41/72/530604172.db2.gz WKOKZEDMZHRWGG-OAHLLOKOSA-N 1 0 376.567 1.514 20 0 GDADRO CCS(=O)(=O)N1CCC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000172112481 530608201 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O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000042753205 530631283 /nfs/dbraw/zinc/63/12/83/530631283.db2.gz KRMIWDYALPJLNZ-KRWDZBQOSA-N 1 0 382.551 1.819 20 0 GDADRO CC(C)C[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000043008560 530632482 /nfs/dbraw/zinc/63/24/82/530632482.db2.gz WXZSCYXPNQZQJK-UHFFFAOYSA-N 1 0 393.962 1.822 20 0 GDADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000173593969 530633700 /nfs/dbraw/zinc/63/37/00/530633700.db2.gz XMVNZDHVOLBFRH-UONOGXRCSA-N 1 0 384.318 1.969 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000173720263 530635478 /nfs/dbraw/zinc/63/54/78/530635478.db2.gz TXZGHANLCXGNJW-LBPRGKRZSA-N 1 0 385.306 1.141 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000174138099 530644045 /nfs/dbraw/zinc/64/40/45/530644045.db2.gz ZAUJGWFTSRFFPO-CYBMUJFWSA-N 1 0 395.305 1.313 20 0 GDADRO C[C@@H](C(=O)NC1CC[NH+](C)CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000174022461 530641209 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C[C@@H]1CCC[N@H+](CCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000046863397 530654169 /nfs/dbraw/zinc/65/41/69/530654169.db2.gz ISTDMFAZJILOSI-GFCCVEGCSA-N 1 0 393.962 1.870 20 0 GDADRO CN(CCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)S(C)(=O)=O ZINC000047956381 530664259 /nfs/dbraw/zinc/66/42/59/530664259.db2.gz PLOZHCDLDPGCLX-AWEZNQCLSA-N 1 0 388.559 1.466 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[NH+]1CCCC1 ZINC000048128738 530665521 /nfs/dbraw/zinc/66/55/21/530665521.db2.gz RVRXEKXFDBKTFJ-GJZGRUSLSA-N 1 0 385.555 1.892 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[NH+]1CCCC1 ZINC000048128744 530665594 /nfs/dbraw/zinc/66/55/94/530665594.db2.gz RVRXEKXFDBKTFJ-HUUCEWRRSA-N 1 0 385.555 1.892 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048483082 530669095 /nfs/dbraw/zinc/66/90/95/530669095.db2.gz KONLCFYGRANMTL-UHFFFAOYSA-N 1 0 398.301 1.182 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)ccc1Br ZINC000175895614 530672687 /nfs/dbraw/zinc/67/26/87/530672687.db2.gz UQCHCUHGOMHVIR-UHFFFAOYSA-N 1 0 384.274 1.949 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CN1CCN2C(=O)NC[C@H]2C1 ZINC000175891550 530672843 /nfs/dbraw/zinc/67/28/43/530672843.db2.gz ISJWFHZDWXRFFR-ZDUSSCGKSA-N 1 0 381.274 1.117 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000049279274 530673218 /nfs/dbraw/zinc/67/32/18/530673218.db2.gz DQJWKJBHRCWUHK-UHFFFAOYSA-N 1 0 397.317 1.450 20 0 GDADRO COc1cc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)ccc1Br ZINC000176049330 530675608 /nfs/dbraw/zinc/67/56/08/530675608.db2.gz HOVZAEVKCPTMQC-UHFFFAOYSA-N 1 0 384.274 1.854 20 0 GDADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000176090606 530677093 /nfs/dbraw/zinc/67/70/93/530677093.db2.gz HYOXYYJGRQJYSH-NSHDSACASA-N 1 0 382.233 1.999 20 0 GDADRO O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1ccccc1C[NH+]1CCCC1 ZINC000052399871 530685135 /nfs/dbraw/zinc/68/51/35/530685135.db2.gz KKGCOJHYBZTZAU-KRWDZBQOSA-N 1 0 382.551 1.819 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000053268134 530691359 /nfs/dbraw/zinc/69/13/59/530691359.db2.gz PZVFUNFPZPWZGX-UHFFFAOYSA-N 1 0 396.285 1.892 20 0 GDADRO CNC(=O)C1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000053846877 530697022 /nfs/dbraw/zinc/69/70/22/530697022.db2.gz VUKHJGVOAXATGL-UHFFFAOYSA-N 1 0 379.258 1.415 20 0 GDADRO CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000177559648 530705531 /nfs/dbraw/zinc/70/55/31/530705531.db2.gz JSMJAODBZVSGNK-CQSZACIVSA-N 1 0 388.559 1.416 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177685322 530708268 /nfs/dbraw/zinc/70/82/68/530708268.db2.gz XJNWBBVOPPTIRR-GFCCVEGCSA-N 1 0 382.258 1.703 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000177724078 530709032 /nfs/dbraw/zinc/70/90/32/530709032.db2.gz GLVCOWSVAJYAQY-LLVKDONJSA-N 1 0 398.276 1.887 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000178385618 530719864 /nfs/dbraw/zinc/71/98/64/530719864.db2.gz BUOAJKYNLHFIKP-UHFFFAOYSA-N 1 0 378.274 1.938 20 0 GDADRO O=S(=O)(C[C@H]1CCCO1)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000178396584 530719967 /nfs/dbraw/zinc/71/99/67/530719967.db2.gz CEIXWNJUMGMRGY-QGZVFWFLSA-N 1 0 387.933 1.560 20 0 GDADRO Cc1oc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000176504102 530684815 /nfs/dbraw/zinc/68/48/15/530684815.db2.gz HICRGNIKSMHDIP-GFCCVEGCSA-N 1 0 385.511 1.933 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000178562402 530723190 /nfs/dbraw/zinc/72/31/90/530723190.db2.gz LDBUUWJRPYPUNO-WFASDCNBSA-N 1 0 380.286 1.861 20 0 GDADRO Cn1cc(Br)cc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000057066190 530723765 /nfs/dbraw/zinc/72/37/65/530723765.db2.gz ZFPDKCNUPCTNRY-UHFFFAOYSA-N 1 0 383.334 1.887 20 0 GDADRO CCN(CCCNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)S(C)(=O)=O ZINC000057148512 530724442 /nfs/dbraw/zinc/72/44/42/530724442.db2.gz KMBFIYYKJHTHFN-HOTGVXAUSA-N 1 0 376.567 1.325 20 0 GDADRO O=C(CS(=O)(=O)Cc1cccc(Br)c1)NC[C@H]1CCC[NH2+]1 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FUYJUFWINMPWPP-ZDUSSCGKSA-N 1 0 399.282 1.188 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CN(C)C(=O)c2ccc(Br)o2)C1 ZINC000063706087 530746695 /nfs/dbraw/zinc/74/66/95/530746695.db2.gz WSSKDWXZMWWBPA-GFCCVEGCSA-N 1 0 386.290 1.961 20 0 GDADRO CC(C)[N@H+](C)CCCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000063738282 530746939 /nfs/dbraw/zinc/74/69/39/530746939.db2.gz XTGBYFLWRKXDMA-UHFFFAOYSA-N 1 0 375.922 1.855 20 0 GDADRO OCC[NH+]1CCN(CCCOc2cccc(I)c2)CC1 ZINC000064030620 530748380 /nfs/dbraw/zinc/74/83/80/530748380.db2.gz SLOSIPJMIQPKNH-UHFFFAOYSA-N 1 0 390.265 1.670 20 0 GDADRO C[N@H+](CCNC(=O)CCN1C(=O)COc2cc(Br)ccc21)C1CC1 ZINC000066924063 530769926 /nfs/dbraw/zinc/76/99/26/530769926.db2.gz DGZPGWQCSOVLMQ-UHFFFAOYSA-N 1 0 396.285 1.775 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)COCc2cccs2)cc1 ZINC000181041870 530776009 /nfs/dbraw/zinc/77/60/09/530776009.db2.gz COGXLBCIDASXTB-ZFWWWQNUSA-N 1 0 384.523 1.885 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000067558615 530777034 /nfs/dbraw/zinc/77/70/34/530777034.db2.gz YZNNJHQUCPLCLJ-JTQLQIEISA-N 1 0 377.413 1.078 20 0 GDADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)Cn3cc(Br)cn3)C2=O)n(C)n1 ZINC000181189051 530779463 /nfs/dbraw/zinc/77/94/63/530779463.db2.gz NOAOTNAFIPISRN-YPMHNXCESA-N 1 0 381.278 1.471 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cs1 ZINC000067998124 530782215 /nfs/dbraw/zinc/78/22/15/530782215.db2.gz FIMNJFZHALJMNQ-UHFFFAOYSA-N 1 0 379.507 1.744 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000067997294 530782244 /nfs/dbraw/zinc/78/22/44/530782244.db2.gz LZNGNLPIILTOTN-VXGBXAGGSA-N 1 0 387.552 1.896 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000068080210 530783247 /nfs/dbraw/zinc/78/32/47/530783247.db2.gz KZXUFHGXJCLMAH-GFCCVEGCSA-N 1 0 377.457 1.480 20 0 GDADRO C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000068103259 530783797 /nfs/dbraw/zinc/78/37/97/530783797.db2.gz DPFUCBRWRAIFFT-AWEZNQCLSA-N 1 0 387.933 1.857 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[N@H+](C)C1CC1 ZINC000068216059 530785029 /nfs/dbraw/zinc/78/50/29/530785029.db2.gz CEWAIMKBNDBTRA-HIFRSBDPSA-N 1 0 385.555 1.890 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000069475324 530797889 /nfs/dbraw/zinc/79/78/89/530797889.db2.gz MQJZDPFNHVNZEX-LBPRGKRZSA-N 1 0 393.962 1.870 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182609666 530801821 /nfs/dbraw/zinc/80/18/21/530801821.db2.gz XUQQZOZNOAAHOO-ZDUSSCGKSA-N 1 0 377.457 1.245 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000181976494 530792591 /nfs/dbraw/zinc/79/25/91/530792591.db2.gz IFFRTIZCPAYEAG-HNNXBMFYSA-N 1 0 398.301 1.956 20 0 GDADRO NC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)C1CCOCC1 ZINC000181977029 530792742 /nfs/dbraw/zinc/79/27/42/530792742.db2.gz JKRREFQOMLMBJA-LBPRGKRZSA-N 1 0 385.262 1.043 20 0 GDADRO NC(=O)C[C@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)C1CCOCC1 ZINC000181964304 530792873 /nfs/dbraw/zinc/79/28/73/530792873.db2.gz OBNBKLGWMXENMW-JTQLQIEISA-N 1 0 399.245 1.852 20 0 GDADRO CC[N@H+](C)CCNS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000068960671 530793114 /nfs/dbraw/zinc/79/31/14/530793114.db2.gz WJZZCTDMHJIEDD-UHFFFAOYSA-N 1 0 381.292 1.696 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cc2cccc(Br)c2)C1 ZINC000102788520 530830062 /nfs/dbraw/zinc/83/00/62/530830062.db2.gz VSICWRIHTVUGET-CQSZACIVSA-N 1 0 382.302 1.695 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000079334721 530808061 /nfs/dbraw/zinc/80/80/61/530808061.db2.gz JOMSQZHQQGSYGS-CQSZACIVSA-N 1 0 386.290 1.084 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NCC[C@H](C)[NH3+])c1 ZINC000183139608 530809809 /nfs/dbraw/zinc/80/98/09/530809809.db2.gz SBVOQRCDKUTPHM-VIFPVBQESA-N 1 0 379.276 1.641 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)C1 ZINC000183157342 530809876 /nfs/dbraw/zinc/80/98/76/530809876.db2.gz PEGSXIKXWNKFIU-AWEZNQCLSA-N 1 0 387.571 1.683 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)NCC[NH2+]C2CC2)cc1Br ZINC000183144868 530809956 /nfs/dbraw/zinc/80/99/56/530809956.db2.gz WBTFFILIUOIGCA-UHFFFAOYSA-N 1 0 390.303 1.746 20 0 GDADRO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000183159710 530810064 /nfs/dbraw/zinc/81/00/64/530810064.db2.gz ZLXIPKXJLFJRLJ-OLZOCXBDSA-N 1 0 387.311 1.740 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCNC(=O)c3cc(F)ccc3Br)C[C@@H]12 ZINC000185084268 530836348 /nfs/dbraw/zinc/83/63/48/530836348.db2.gz WPSGQOCDDHGSBY-PSOPSSQASA-N 1 0 398.276 1.904 20 0 GDADRO COc1cc(C[N@H+](CCO)CCCO)cc(I)c1OC ZINC000093324123 530812932 /nfs/dbraw/zinc/81/29/32/530812932.db2.gz LCSJJVYGAOFNEU-UHFFFAOYSA-N 1 0 395.237 1.485 20 0 GDADRO C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@@H](O)CN1CCOCC1 ZINC000093583854 530813666 /nfs/dbraw/zinc/81/36/66/530813666.db2.gz LYRFWVKXKBABES-QGZVFWFLSA-N 1 0 397.313 1.850 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000093920376 530814714 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389.949 1.901 20 0 GDADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CCOCC1 ZINC000442864084 531378331 /nfs/dbraw/zinc/37/83/31/531378331.db2.gz BPYCHPNEHSFHGH-HNNXBMFYSA-N 1 0 394.896 1.789 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)c(OC)cc2C)CC1 ZINC000278716644 531382008 /nfs/dbraw/zinc/38/20/08/531382008.db2.gz IIEUUHWGXXANQU-UHFFFAOYSA-N 1 0 375.922 1.573 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CCCc2c(F)cccc2Cl)[C@H](N2CCOCC2)C1 ZINC000278855073 531396242 /nfs/dbraw/zinc/39/62/42/531396242.db2.gz LLROMIAJZKXTQC-DLBZAZTESA-N 1 0 390.908 1.499 20 0 GDADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCC[N@H+](C)CCOC)c1 ZINC000413250962 531400423 /nfs/dbraw/zinc/40/04/23/531400423.db2.gz VYBIZQUSOSLTMV-UHFFFAOYSA-N 1 0 391.921 1.511 20 0 GDADRO COc1cc(C)c(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000278924265 531402994 /nfs/dbraw/zinc/40/29/94/531402994.db2.gz WTXQRBZAQKNSFF-AWEZNQCLSA-N 1 0 389.949 1.961 20 0 GDADRO COc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc1I ZINC000278962845 531404744 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CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000267205243 531411325 /nfs/dbraw/zinc/41/13/25/531411325.db2.gz NRIBTSATJMKISF-GFCCVEGCSA-N 1 0 388.921 1.213 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc[nH+]1 ZINC000349627255 531411755 /nfs/dbraw/zinc/41/17/55/531411755.db2.gz WGBNPBQKHXMILS-KBPBESRZSA-N 1 0 389.543 1.251 20 0 GDADRO COC(=O)[C@H]1CSCCN(C(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000413589947 531412571 /nfs/dbraw/zinc/41/25/71/531412571.db2.gz SQCPAKQOJQMGTF-CYBMUJFWSA-N 1 0 375.560 1.361 20 0 GDADRO Cc1cc(S(N)(=O)=O)ccc1C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000447033966 531414513 /nfs/dbraw/zinc/41/45/13/531414513.db2.gz NKTFUJFAJHJTNJ-INIZCTEOSA-N 1 0 381.885 1.482 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1Br ZINC000447242200 531421205 /nfs/dbraw/zinc/42/12/05/531421205.db2.gz FKIOVGLWBCTIEE-SCZZXKLOSA-N 1 0 379.276 1.434 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000447240906 531421526 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383.286 1.863 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000447253592 531423027 /nfs/dbraw/zinc/42/30/27/531423027.db2.gz ZOJSOYGZBSDKAF-VXGBXAGGSA-N 1 0 393.506 1.335 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000447247847 531423185 /nfs/dbraw/zinc/42/31/85/531423185.db2.gz SFFDAPWFTGKEHF-GHMZBOCLSA-N 1 0 379.404 1.337 20 0 GDADRO Cc1c(Cl)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)sc1S(N)(=O)=O ZINC000279202002 531419373 /nfs/dbraw/zinc/41/93/73/531419373.db2.gz LEBGJRQELBEBFL-UWVGGRQHSA-N 1 0 377.919 1.714 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000293528428 531426805 /nfs/dbraw/zinc/42/68/05/531426805.db2.gz UWBOLPRPBINNQP-YPMHNXCESA-N 1 0 387.299 1.677 20 0 GDADRO COC[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000533288520 531429366 /nfs/dbraw/zinc/42/93/66/531429366.db2.gz NAJUZEPXJQHTDJ-GFCCVEGCSA-N 1 0 384.274 1.472 20 0 GDADRO CCS(=O)(=O)NCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000533943335 531432855 /nfs/dbraw/zinc/43/28/55/531432855.db2.gz WJULRLGITKYDHO-UHFFFAOYSA-N 1 0 387.933 1.704 20 0 GDADRO CS[C@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C[C@H]1[NH+](C)C ZINC000534092017 531434043 /nfs/dbraw/zinc/43/40/43/531434043.db2.gz BXRQKVWFEOCEGY-RGHULWKBSA-N 1 0 386.587 1.216 20 0 GDADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)Nc1ccc(I)cc1 ZINC000447919718 531440975 /nfs/dbraw/zinc/44/09/75/531440975.db2.gz FPNYLXHTNOHSQV-STQMWFEESA-N 1 0 390.221 1.359 20 0 GDADRO C[C@H]1CCCN(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414293371 531437665 /nfs/dbraw/zinc/43/76/65/531437665.db2.gz VUWBMCKBKVTGRQ-LBPRGKRZSA-N 1 0 390.347 1.918 20 0 GDADRO CC[NH+](CC)CCN(C(=O)CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000534314218 531438644 /nfs/dbraw/zinc/43/86/44/531438644.db2.gz ICRQWFNGBCQCPG-OAHLLOKOSA-N 1 0 390.937 1.284 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000267609518 531438636 /nfs/dbraw/zinc/43/86/36/531438636.db2.gz OMWDVVZWCHRVHS-UHFFFAOYSA-N 1 0 378.441 1.522 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(F)c(F)c1F ZINC000360454154 531440143 /nfs/dbraw/zinc/44/01/43/531440143.db2.gz HISLQDHZUFFHLV-WXHSDQCUSA-N 1 0 378.416 1.976 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CNC(=O)c3ccc(Br)o3)C2)C1 ZINC000293810547 531445789 /nfs/dbraw/zinc/44/57/89/531445789.db2.gz AQYMHMININWVTD-INIZCTEOSA-N 1 0 384.274 1.716 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1 ZINC000360833266 531443841 /nfs/dbraw/zinc/44/38/41/531443841.db2.gz XLPJONCCXOXESN-UHFFFAOYSA-N 1 0 380.857 1.541 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@@H]3CSCCS3)ccn2)CC1 ZINC000267818081 531454216 /nfs/dbraw/zinc/45/42/16/531454216.db2.gz GHXJQQRWPPAMIF-OAHLLOKOSA-N 1 0 381.571 1.481 20 0 GDADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000362067148 531455776 /nfs/dbraw/zinc/45/57/76/531455776.db2.gz PBYUQLRMPYCEJB-OAGGEKHMSA-N 1 0 382.302 1.507 20 0 GDADRO C[NH+](C)C1(CNc2ncc(Br)cc2S(N)(=O)=O)CCOCC1 ZINC000448167029 531448722 /nfs/dbraw/zinc/44/87/22/531448722.db2.gz YKBHWVNEVUHVNS-UHFFFAOYSA-N 1 0 393.307 1.014 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000486255581 531448865 /nfs/dbraw/zinc/44/88/65/531448865.db2.gz FYNVUFGDQLMJAM-LBPRGKRZSA-N 1 0 389.905 1.214 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1nc2ccc(Br)cn2n1 ZINC000414401405 531449272 /nfs/dbraw/zinc/44/92/72/531449272.db2.gz NZUSWDINKLAAQJ-LBPRGKRZSA-N 1 0 384.278 1.578 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)c1nc2ccc(Br)cn2n1 ZINC000414404939 531449424 /nfs/dbraw/zinc/44/94/24/531449424.db2.gz IPHGXQGQDWMFEG-UHFFFAOYSA-N 1 0 382.262 1.334 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000293888983 531450327 /nfs/dbraw/zinc/45/03/27/531450327.db2.gz UYRXYMJVHRBJHI-UHFFFAOYSA-N 1 0 388.555 1.943 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)CS(C)(=O)=O)cc1Br ZINC000449604715 531473453 /nfs/dbraw/zinc/47/34/53/531473453.db2.gz YDVCHOYPJVTNJH-DGCLKSJQSA-N 1 0 394.331 1.631 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C(F)(F)F ZINC000449715206 531474489 /nfs/dbraw/zinc/47/44/89/531474489.db2.gz DPQCNOXCQFFNCQ-LLVKDONJSA-N 1 0 396.207 1.965 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(I)c2)C1 ZINC000415315017 531474785 /nfs/dbraw/zinc/47/47/85/531474785.db2.gz HJJOKCSNNXFGOG-NSHDSACASA-N 1 0 387.221 1.358 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449722179 531474849 /nfs/dbraw/zinc/47/48/49/531474849.db2.gz PMGGEWPLWYGNTI-KCJUWKMLSA-N 1 0 396.207 1.963 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(F)(F)F ZINC000449722767 531475179 /nfs/dbraw/zinc/47/51/79/531475179.db2.gz QFJUXHMHZJQHIC-VHSXEESVSA-N 1 0 385.433 1.297 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449722180 531475327 /nfs/dbraw/zinc/47/53/27/531475327.db2.gz PMGGEWPLWYGNTI-KWQFWETISA-N 1 0 396.207 1.963 20 0 GDADRO O=C(c1n[nH]c2ccc(I)cc21)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449729691 531475423 /nfs/dbraw/zinc/47/54/23/531475423.db2.gz BKRYTOJVDBOSMR-TVQRCGJNSA-N 1 0 396.232 1.992 20 0 GDADRO O=C(Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415330564 531475548 /nfs/dbraw/zinc/47/55/48/531475548.db2.gz OIYFOHGTSZRETP-SECBINFHSA-N 1 0 380.164 1.885 20 0 GDADRO CCOC(=O)CCS(=O)(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363223134 531476263 /nfs/dbraw/zinc/47/62/63/531476263.db2.gz VXSUVAJHLRHMLL-GASCZTMLSA-N 1 0 376.519 1.091 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cccc(Br)c1Cl ZINC000415333799 531476675 /nfs/dbraw/zinc/47/66/75/531476675.db2.gz RLDFWHDHMSEHMK-UHFFFAOYSA-N 1 0 389.681 1.062 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000487736476 531476865 /nfs/dbraw/zinc/47/68/65/531476865.db2.gz GLTKUOZDFLFZKZ-UHFFFAOYSA-N 1 0 385.555 1.764 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000415341978 531476965 /nfs/dbraw/zinc/47/69/65/531476965.db2.gz PUHIJVTWRLMTLP-SNVBAGLBSA-N 1 0 387.221 1.358 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1 ZINC000537864555 531462761 /nfs/dbraw/zinc/46/27/61/531462761.db2.gz NZRDAZVLDDBPIB-GFCCVEGCSA-N 1 0 389.905 1.074 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNCc1ncc(Br)cc1Br ZINC000414967962 531464019 /nfs/dbraw/zinc/46/40/19/531464019.db2.gz CDDXDDAHKBEOIL-SNVBAGLBSA-N 1 0 378.112 1.600 20 0 GDADRO CS[C@H]1CN(c2ncccc2S(=O)(=O)N2CCCCC2)C[C@@H]1[NH+](C)C ZINC000538095100 531465484 /nfs/dbraw/zinc/46/54/84/531465484.db2.gz COXAULCXSPTFDD-GJZGRUSLSA-N 1 0 384.571 1.738 20 0 GDADRO [NH3+]C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C1CC1 ZINC000415190583 531466894 /nfs/dbraw/zinc/46/68/94/531466894.db2.gz RMMDTNVNACLDLF-GFCCVEGCSA-N 1 0 380.392 1.386 20 0 GDADRO COc1ccc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Br ZINC000415168235 531466988 /nfs/dbraw/zinc/46/69/88/531466988.db2.gz IPEBNGGODISGQF-NSHDSACASA-N 1 0 399.289 1.777 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363020443 531468274 /nfs/dbraw/zinc/46/82/74/531468274.db2.gz JVWNSSPTXCEWBA-HUUCEWRRSA-N 1 0 380.286 1.922 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)Nc1ccc(F)cc1I ZINC000415256914 531469624 /nfs/dbraw/zinc/46/96/24/531469624.db2.gz YGGKQSIGGXQJLD-UHFFFAOYSA-N 1 0 392.216 1.457 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000363062744 531470189 /nfs/dbraw/zinc/47/01/89/531470189.db2.gz NTWVQFJJWHISAZ-ZDUSSCGKSA-N 1 0 396.285 1.775 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)sc2c1CCCS2 ZINC000415291494 531471527 /nfs/dbraw/zinc/47/15/27/531471527.db2.gz HBRMXIFJAXGJSY-SECBINFHSA-N 1 0 383.495 1.461 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N2CC[NH2+]CC2)sc2c1CCCS2 ZINC000415286412 531471927 /nfs/dbraw/zinc/47/19/27/531471927.db2.gz UDOVQUFXBLHQDD-UHFFFAOYSA-N 1 0 383.495 1.333 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)c(Br)cc2C)C1 ZINC000415301734 531472487 /nfs/dbraw/zinc/47/24/87/531472487.db2.gz QJBBSJSHDBUUTM-JTQLQIEISA-N 1 0 398.257 1.303 20 0 GDADRO O=Cc1ccc(OCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000363118756 531472622 /nfs/dbraw/zinc/47/26/22/531472622.db2.gz BYSYWBVFQFBXJU-UONOGXRCSA-N 1 0 397.269 1.620 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415302617 531472615 /nfs/dbraw/zinc/47/26/15/531472615.db2.gz DAJIBQLMDDZNLG-UHFFFAOYSA-N 1 0 379.173 1.095 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc(F)c1F ZINC000268080391 531472738 /nfs/dbraw/zinc/47/27/38/531472738.db2.gz VHMDCJRNMDVIDY-OAHLLOKOSA-N 1 0 394.465 1.467 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)NCCC[NH2+]C)sc2c1CCCS2 ZINC000415302119 531472918 /nfs/dbraw/zinc/47/29/18/531472918.db2.gz CFFKLLBEWRKBRG-UHFFFAOYSA-N 1 0 385.511 1.627 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415359151 531478523 /nfs/dbraw/zinc/47/85/23/531478523.db2.gz JRRKMOQZVFZZBA-UHFFFAOYSA-N 1 0 381.601 1.219 20 0 GDADRO COC(=O)c1sccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000543240091 531478939 /nfs/dbraw/zinc/47/89/39/531478939.db2.gz SGZOONAADSPGRU-NSHDSACASA-N 1 0 381.479 1.954 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(I)cc1F ZINC000294428853 531479000 /nfs/dbraw/zinc/47/90/00/531479000.db2.gz AHGLKTQRNANUNF-NSHDSACASA-N 1 0 391.228 1.406 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)C1 ZINC000415367451 531479905 /nfs/dbraw/zinc/47/99/05/531479905.db2.gz YHDBROPGALFRRN-NSHDSACASA-N 1 0 384.274 1.915 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])cc1I ZINC000415369740 531480033 /nfs/dbraw/zinc/48/00/33/531480033.db2.gz CMALBOROZZKREP-VIFPVBQESA-N 1 0 375.210 1.392 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1Br ZINC000268166075 531480724 /nfs/dbraw/zinc/48/07/24/531480724.db2.gz KQRNXLRKIOIFBE-IINYFYTJSA-N 1 0 396.285 1.995 20 0 GDADRO CCCN(C(=O)C(=O)Nc1cc(OC)ccc1Br)[C@@H]1CC[NH2+]C1 ZINC000415386695 531481478 /nfs/dbraw/zinc/48/14/78/531481478.db2.gz CASSPWWSAYHZAV-LLVKDONJSA-N 1 0 384.274 1.997 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000415398834 531482557 /nfs/dbraw/zinc/48/25/57/531482557.db2.gz UBISMMVAGMRUEV-SNVBAGLBSA-N 1 0 398.257 1.242 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000294517716 531482890 /nfs/dbraw/zinc/48/28/90/531482890.db2.gz GNRTYONJNWCLPR-ZDUSSCGKSA-N 1 0 394.273 1.480 20 0 GDADRO COC(=O)c1cc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)ccc1Br ZINC000415402226 531483318 /nfs/dbraw/zinc/48/33/18/531483318.db2.gz IPBBRTXXDRMHLP-NSHDSACASA-N 1 0 385.262 1.261 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415415927 531484090 /nfs/dbraw/zinc/48/40/90/531484090.db2.gz MNSQSFCLVFXORF-JTQLQIEISA-N 1 0 379.258 1.908 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)CC[NH2+]1 ZINC000415425865 531485269 /nfs/dbraw/zinc/48/52/69/531485269.db2.gz DBMZEMSHHXSRGP-NSHDSACASA-N 1 0 383.290 1.270 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415432139 531485289 /nfs/dbraw/zinc/48/52/89/531485289.db2.gz FOGWBGMTOVQGFL-NSHDSACASA-N 1 0 389.237 1.638 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c(C)cc1Br ZINC000415450885 531486496 /nfs/dbraw/zinc/48/64/96/531486496.db2.gz NGTNSXIKPSZTBA-ZDUSSCGKSA-N 1 0 398.257 1.336 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC[NH2+]1 ZINC000415446357 531487063 /nfs/dbraw/zinc/48/70/63/531487063.db2.gz WRLBBWQZPFWAKV-GFCCVEGCSA-N 1 0 382.917 1.652 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1OC ZINC000415449602 531487105 /nfs/dbraw/zinc/48/71/05/531487105.db2.gz JEGJYSNKRHAKBS-NSHDSACASA-N 1 0 386.246 1.258 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[C@H]1[NH3+] ZINC000415445718 531487115 /nfs/dbraw/zinc/48/71/15/531487115.db2.gz OXYAFHQWBXMNJL-RDDDGLTNSA-N 1 0 376.201 1.862 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cn1cc(Br)ccc1=O ZINC000363492240 531487607 /nfs/dbraw/zinc/48/76/07/531487607.db2.gz ZYUBYFFPDICMLR-ILXRZTDVSA-N 1 0 398.301 1.321 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CC2)cc1I ZINC000489116309 531493534 /nfs/dbraw/zinc/49/35/34/531493534.db2.gz MMOKEGJZNARWAR-UHFFFAOYSA-N 1 0 394.278 1.972 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415476844 531489618 /nfs/dbraw/zinc/48/96/18/531489618.db2.gz URGMGZXOVKQUCV-NEPJUHHUSA-N 1 0 382.258 1.749 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(I)cc1 ZINC000415481585 531490296 /nfs/dbraw/zinc/49/02/96/531490296.db2.gz BFFXAHXSWKVVJO-LBPRGKRZSA-N 1 0 387.221 1.440 20 0 GDADRO COC(=O)Cn1cc(CC[NH+]2CCC(n3cc(Br)cn3)CC2)nn1 ZINC000363528886 531490416 /nfs/dbraw/zinc/49/04/16/531490416.db2.gz FDEWMZFISXDDKI-UHFFFAOYSA-N 1 0 397.277 1.290 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415494659 531490732 /nfs/dbraw/zinc/49/07/32/531490732.db2.gz ZXAIGDZSRVIYIN-GFCCVEGCSA-N 1 0 392.257 1.523 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000415491963 531490905 /nfs/dbraw/zinc/49/09/05/531490905.db2.gz FCIHFCCRAFEWND-UHFFFAOYSA-N 1 0 384.274 1.744 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000415505947 531491048 /nfs/dbraw/zinc/49/10/48/531491048.db2.gz YTARXRKQOKAHKV-UHFFFAOYSA-N 1 0 384.274 1.744 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000415496622 531491160 /nfs/dbraw/zinc/49/11/60/531491160.db2.gz OLGTYRAMYNKWLX-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000415544935 531492676 /nfs/dbraw/zinc/49/26/76/531492676.db2.gz IIRYXQQXBGIJOR-UHFFFAOYSA-N 1 0 384.267 1.526 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000415541785 531492823 /nfs/dbraw/zinc/49/28/23/531492823.db2.gz SIWBNTBXKIIGOC-UHFFFAOYSA-N 1 0 376.226 1.187 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000415358146 531478179 /nfs/dbraw/zinc/47/81/79/531478179.db2.gz IDXGEKYCYJWYIA-JTQLQIEISA-N 1 0 389.193 1.561 20 0 GDADRO CSCC[C@H]([NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C)C(=O)N(C)C ZINC000489825802 531510866 /nfs/dbraw/zinc/51/08/66/531510866.db2.gz GZTQRPAGJZYPBP-ZFWWWQNUSA-N 1 0 387.571 1.811 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000658428750 531511066 /nfs/dbraw/zinc/51/10/66/531511066.db2.gz YWXBZTWJACVGSD-UHFFFAOYSA-N 1 0 375.300 1.932 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000415679944 531511928 /nfs/dbraw/zinc/51/19/28/531511928.db2.gz PMEVSEZRYFULKL-CYBMUJFWSA-N 1 0 398.305 1.896 20 0 GDADRO Cc1nc2ccc(S(=O)(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)cc2s1 ZINC000489858885 531512489 /nfs/dbraw/zinc/51/24/89/531512489.db2.gz UDFNNRAUZQPJFB-UHFFFAOYSA-N 1 0 382.555 1.909 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000658540218 531514675 /nfs/dbraw/zinc/51/46/75/531514675.db2.gz OAIDBKMHIAXULJ-UHFFFAOYSA-N 1 0 392.257 1.351 20 0 GDADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415706399 531517278 /nfs/dbraw/zinc/51/72/78/531517278.db2.gz IRDATUXRUWKJMM-LBPRGKRZSA-N 1 0 399.264 1.033 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)N2CCc3ccc(Br)cc32)CCC[NH2+]1 ZINC000415706588 531517474 /nfs/dbraw/zinc/51/74/74/531517474.db2.gz LEFGPNJPWXRAAM-QGZVFWFLSA-N 1 0 396.285 1.223 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2cc(F)ccc2Br)CCC[NH2+]1 ZINC000415706339 531517534 /nfs/dbraw/zinc/51/75/34/531517534.db2.gz KZCFHEATBRWHJW-HNNXBMFYSA-N 1 0 388.237 1.412 20 0 GDADRO COc1cc(I)ccc1NC(=O)C(=O)NCCCC[NH3+] ZINC000415561441 531495271 /nfs/dbraw/zinc/49/52/71/531495271.db2.gz HRKJXVHTRXJQPZ-UHFFFAOYSA-N 1 0 391.209 1.093 20 0 GDADRO C[C@H](C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000635550282 531496938 /nfs/dbraw/zinc/49/69/38/531496938.db2.gz BOKNDOLUBDXKFC-CYBMUJFWSA-N 1 0 398.301 1.449 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)NCc3ccc(F)cc3Br)C[C@H]2[NH3+])cn1 ZINC000581543470 531497699 /nfs/dbraw/zinc/49/76/99/531497699.db2.gz HRYUCHOAWDTTGL-DZGCQCFKSA-N 1 0 396.264 1.958 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415580694 531498338 /nfs/dbraw/zinc/49/83/38/531498338.db2.gz RKQXRQPYXXVFDN-GHMZBOCLSA-N 1 0 384.274 1.982 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3nc(CC(F)(F)F)cs3)C[C@@H]21 ZINC000415588282 531498787 /nfs/dbraw/zinc/49/87/87/531498787.db2.gz XPLQYYPBDCUPHN-INTQDDNPSA-N 1 0 376.404 1.772 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000415589953 531499887 /nfs/dbraw/zinc/49/98/87/531499887.db2.gz ZKHXJBJXQZNXQG-SUHUHFCYSA-N 1 0 396.285 1.982 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000415592651 531500002 /nfs/dbraw/zinc/50/00/02/531500002.db2.gz NLUKQYUGAQCKOE-MRXNPFEDSA-N 1 0 382.258 1.608 20 0 GDADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000581596739 531501060 /nfs/dbraw/zinc/50/10/60/531501060.db2.gz ONYOKNSPTSDXDH-KGLIPLIRSA-N 1 0 388.917 1.985 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)s2)C[C@H]1[NH+]1CCCC1 ZINC000547949902 531501717 /nfs/dbraw/zinc/50/17/17/531501717.db2.gz PWCBHOGMIMZXRQ-ZYHUDNBSSA-N 1 0 375.541 1.047 20 0 GDADRO C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCS(=O)(=O)C1 ZINC000556799691 531503490 /nfs/dbraw/zinc/50/34/90/531503490.db2.gz ONRZVQSDXYRZSA-YNEHKIRRSA-N 1 0 384.464 1.788 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415618709 531505040 /nfs/dbraw/zinc/50/50/40/531505040.db2.gz GQKONFHRUQCRIL-CPCISQLKSA-N 1 0 376.201 1.780 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1Cl ZINC000556943392 531505377 /nfs/dbraw/zinc/50/53/77/531505377.db2.gz RRQWTLAFOXLNMH-JYAVWHMHSA-N 1 0 386.905 1.710 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000581656227 531506615 /nfs/dbraw/zinc/50/66/15/531506615.db2.gz FDUARFSAEYOJLP-WFASDCNBSA-N 1 0 386.905 1.012 20 0 GDADRO O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000581657823 531507126 /nfs/dbraw/zinc/50/71/26/531507126.db2.gz QGQOFIPXQVEHBB-LBPRGKRZSA-N 1 0 379.404 1.399 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415649115 531507240 /nfs/dbraw/zinc/50/72/40/531507240.db2.gz PGAQWOFQYYAOHT-GHMZBOCLSA-N 1 0 398.257 1.560 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000268414887 531508826 /nfs/dbraw/zinc/50/88/26/531508826.db2.gz UZWONOZCJHGPKZ-UHFFFAOYSA-N 1 0 375.466 1.412 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415651212 531508910 /nfs/dbraw/zinc/50/89/10/531508910.db2.gz AVJZZOXOHSYSSB-LLVKDONJSA-N 1 0 394.273 1.688 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[NH2+]1 ZINC000415664504 531509981 /nfs/dbraw/zinc/50/99/81/531509981.db2.gz SIVXDMKRDMTRQR-CBAPKCEASA-N 1 0 376.201 1.923 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000635918022 531522631 /nfs/dbraw/zinc/52/26/31/531522631.db2.gz FMOZCOONCOEWLI-NSHDSACASA-N 1 0 394.324 1.730 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415754458 531525573 /nfs/dbraw/zinc/52/55/73/531525573.db2.gz AZSUPWZGQINWPS-SNVBAGLBSA-N 1 0 384.267 2.361 20 0 GDADRO O=C(Nc1ccc(Br)c2cccnc12)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415754414 531525638 /nfs/dbraw/zinc/52/56/38/531525638.db2.gz AXHGKJPKGZOTHQ-IWIIMEHWSA-N 1 0 375.226 1.270 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415777713 531528068 /nfs/dbraw/zinc/52/80/68/531528068.db2.gz DKHAEKAJXBBTJD-RQJHMYQMSA-N 1 0 395.628 1.735 20 0 GDADRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280704481 531528364 /nfs/dbraw/zinc/52/83/64/531528364.db2.gz LQNMIWDUSKDUMI-JTQLQIEISA-N 1 0 392.319 1.616 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])n(-c2cccc(Br)c2)n1 ZINC000415781182 531528320 /nfs/dbraw/zinc/52/83/20/531528320.db2.gz JNIODBGCEFAYHG-MNOVXSKESA-N 1 0 394.273 1.734 20 0 GDADRO COc1ccc(NS(C)(=O)=O)cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415780148 531528336 /nfs/dbraw/zinc/52/83/36/531528336.db2.gz CEKPFIULRIVUSO-GFCCVEGCSA-N 1 0 378.401 1.185 20 0 GDADRO C[C@@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@H](C)[NH3+] ZINC000415787907 531530249 /nfs/dbraw/zinc/53/02/49/531530249.db2.gz LNNUSZIMDWLFOV-WDEREUQCSA-N 1 0 385.310 1.453 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000415785731 531530402 /nfs/dbraw/zinc/53/04/02/531530402.db2.gz IQIGQUPVECBLSA-LBPRGKRZSA-N 1 0 399.337 1.845 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(I)c1 ZINC000415791587 531531046 /nfs/dbraw/zinc/53/10/46/531531046.db2.gz SMWSSJNUPIEUHA-SFYZADRCSA-N 1 0 391.209 1.090 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000280727539 531532096 /nfs/dbraw/zinc/53/20/96/531532096.db2.gz MWUIVLLVJBWNPE-UHFFFAOYSA-N 1 0 387.527 1.124 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000636048194 531532100 /nfs/dbraw/zinc/53/21/00/531532100.db2.gz PTNBSBSFZGKNBF-ZDUSSCGKSA-N 1 0 395.301 1.912 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c(Cl)cc1Br ZINC000659079956 531538034 /nfs/dbraw/zinc/53/80/34/531538034.db2.gz ZUEUILVBUGINRU-ZETCQYMHSA-N 1 0 376.638 1.609 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Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[C@@H]([NH3+])C(C)C)C2)s1 ZINC000662726641 531694175 /nfs/dbraw/zinc/69/41/75/531694175.db2.gz HXLAWKFRKIJZTF-LSDHHAIUSA-N 1 0 387.571 1.947 20 0 GDADRO C[NH+]1CCC(n2ccc(NC(=O)c3c[nH]c(=O)c(Br)c3)n2)CC1 ZINC000365931624 531695693 /nfs/dbraw/zinc/69/56/93/531695693.db2.gz YWXPLVKNCZALGO-UHFFFAOYSA-N 1 0 380.246 2.265 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000662858242 531697796 /nfs/dbraw/zinc/69/77/96/531697796.db2.gz WQEKAEUBAPHBTN-INIZCTEOSA-N 1 0 387.311 1.742 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)Nc1ncc(Br)cc1S(N)(=O)=O ZINC000504039738 531698514 /nfs/dbraw/zinc/69/85/14/531698514.db2.gz CDCHTSYOMUZITP-SNVBAGLBSA-N 1 0 377.308 1.778 20 0 GDADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000282001221 531690518 /nfs/dbraw/zinc/69/05/18/531690518.db2.gz RUXPJQUVUGILDJ-IINYFYTJSA-N 1 0 384.893 1.527 20 0 GDADRO CN1C[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CCC1=O ZINC000639344481 531690665 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1.205 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000662962883 531704687 /nfs/dbraw/zinc/70/46/87/531704687.db2.gz OCEPHLBKLIIHCO-SNVBAGLBSA-N 1 0 377.304 1.726 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C2 ZINC000662993043 531705578 /nfs/dbraw/zinc/70/55/78/531705578.db2.gz KVUQNXFPCJDLIG-ZDUSSCGKSA-N 1 0 396.285 1.176 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CC[C@H]3[NH2+]CC[C@@H]3C1)C2 ZINC000662993636 531705854 /nfs/dbraw/zinc/70/58/54/531705854.db2.gz PLOHPZFJBMTASL-UKRRQHHQSA-N 1 0 392.297 1.810 20 0 GDADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000619578341 531712233 /nfs/dbraw/zinc/71/22/33/531712233.db2.gz GTEZTPBBFRMTDN-AWEZNQCLSA-N 1 0 380.539 1.932 20 0 GDADRO C[C@]12C[N@H+](CCC(=O)Nc3cccc(Br)c3)C[C@@]1(C)C(=O)NC2=O ZINC000639949995 531709969 /nfs/dbraw/zinc/70/99/69/531709969.db2.gz QBEAPUSYBXSJQK-CALCHBBNSA-N 1 0 394.269 1.762 20 0 GDADRO C[C@@]12C[NH+](CCC(=O)Nc3cccc(Br)c3)C[C@@]1(C)C(=O)NC2=O ZINC000639949997 531710053 /nfs/dbraw/zinc/71/00/53/531710053.db2.gz QBEAPUSYBXSJQK-IRXDYDNUSA-N 1 0 394.269 1.762 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[C@@H]2CSCCS2)c1 ZINC000269722529 531723815 /nfs/dbraw/zinc/72/38/15/531723815.db2.gz CTCAIEHKRJHOKI-MRXNPFEDSA-N 1 0 381.567 1.833 20 0 GDADRO COc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)sc1S(N)(=O)=O ZINC000561763048 531723927 /nfs/dbraw/zinc/72/39/27/531723927.db2.gz UIVIHRYJBIZSDE-IJLUTSLNSA-N 1 0 387.527 1.206 20 0 GDADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)CC2(C)COC2)CC1 ZINC000562000434 531730269 /nfs/dbraw/zinc/73/02/69/531730269.db2.gz CDHKUJXJKHNELY-MRXNPFEDSA-N 1 0 376.563 1.546 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)S(N)(=O)=O)c1ccccc1Cl ZINC000663444431 531712969 /nfs/dbraw/zinc/71/29/69/531712969.db2.gz JVWVZVBXDSXIHB-IUODEOHRSA-N 1 0 390.937 1.699 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)c2ccccc2O1 ZINC000366175082 531716738 /nfs/dbraw/zinc/71/67/38/531716738.db2.gz WGAWUIXJANHPDI-GFCCVEGCSA-N 1 0 381.479 1.365 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)c2ccccc2O1 ZINC000366175083 531717607 /nfs/dbraw/zinc/71/76/07/531717607.db2.gz WGAWUIXJANHPDI-LBPRGKRZSA-N 1 0 381.479 1.365 20 0 GDADRO C[NH+](C)CCCNC(=O)NCCOc1ccc(I)cc1 ZINC000619810157 531718577 /nfs/dbraw/zinc/71/85/77/531718577.db2.gz GMQLQLCMATUPGD-UHFFFAOYSA-N 1 0 391.253 1.921 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000296718031 531718838 /nfs/dbraw/zinc/71/88/38/531718838.db2.gz JAODWWUZTNYJCA-YUELXQCFSA-N 1 0 396.329 1.956 20 0 GDADRO Cn1ncc(NCC2CC[NH+](C3CCOCC3)CC2)c(Br)c1=O ZINC000664151879 531719998 /nfs/dbraw/zinc/71/99/98/531719998.db2.gz ZHIAQRCIVYCVER-UHFFFAOYSA-N 1 0 385.306 1.846 20 0 GDADRO Cc1cc(S(N)(=O)=O)oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000665537775 531735850 /nfs/dbraw/zinc/73/58/50/531735850.db2.gz YLDGAAPVOSSMNF-LBPRGKRZSA-N 1 0 383.495 1.864 20 0 GDADRO Cn1cc(Br)c(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000640309793 531735941 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COC(=O)c1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c(Cl)cc1Cl ZINC000269766186 531746080 /nfs/dbraw/zinc/74/60/80/531746080.db2.gz MSNSBSWFGUDWOP-AWEZNQCLSA-N 1 0 399.296 1.371 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000416915575 531746142 /nfs/dbraw/zinc/74/61/42/531746142.db2.gz MQJGAUBUZBVQHI-TZMCWYRMSA-N 1 0 388.559 1.657 20 0 GDADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N[C@@H]1CC12CC[NH2+]CC2 ZINC000366469389 531748336 /nfs/dbraw/zinc/74/83/36/531748336.db2.gz GNDIHOAOHTVSGJ-CQSZACIVSA-N 1 0 398.276 1.966 20 0 GDADRO COc1cc(I)c(C(=O)N(C)CCC[NH3+])cc1OC ZINC000591678614 531733685 /nfs/dbraw/zinc/73/36/85/531733685.db2.gz BKPZIFIZZACQHL-UHFFFAOYSA-N 1 0 378.210 1.729 20 0 GDADRO O=C(c1cc(Br)c[nH]c1=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000621604923 531753373 /nfs/dbraw/zinc/75/33/73/531753373.db2.gz QPRUFLGKCBYUCN-UHFFFAOYSA-N 1 0 384.274 1.734 20 0 GDADRO C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCCO1 ZINC000562428283 531755789 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385.306 1.994 20 0 GDADRO OCCO[C@@]1(C[NH2+]Cc2ncc(I)s2)CCOC1 ZINC000594976318 531862986 /nfs/dbraw/zinc/86/29/86/531862986.db2.gz ZUYGTJUCDZGOKI-LLVKDONJSA-N 1 0 384.239 1.005 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2cc(Br)ccc2F)CC[NH2+]1 ZINC000418918324 531863108 /nfs/dbraw/zinc/86/31/08/531863108.db2.gz CMDYBGZUIAQXPG-ZWNOBZJWSA-N 1 0 386.265 1.504 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418921306 531863139 /nfs/dbraw/zinc/86/31/39/531863139.db2.gz IZMVGPPMGJFJFZ-ZDUSSCGKSA-N 1 0 386.265 1.587 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000418919802 531863604 /nfs/dbraw/zinc/86/36/04/531863604.db2.gz AUIFCCKMKVKMCX-LSDHHAIUSA-N 1 0 380.286 1.966 20 0 GDADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000563810373 531863569 /nfs/dbraw/zinc/86/35/69/531863569.db2.gz GIQGIUNGTPJBIL-WCQYABFASA-N 1 0 378.332 1.931 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000672454621 531864234 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20 0 GDADRO Cc1cc(C)c(Br)c(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000566067595 531877964 /nfs/dbraw/zinc/87/79/64/531877964.db2.gz PKIGVUVQINTPFU-CYBMUJFWSA-N 1 0 382.302 1.993 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NCC2([NH3+])CCC2)cc1Br ZINC000419012547 531880264 /nfs/dbraw/zinc/88/02/64/531880264.db2.gz WVHOJXVKQRXGNN-JTQLQIEISA-N 1 0 384.274 1.633 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CCC[NH2+]CC2)cc1Br ZINC000419011048 531880443 /nfs/dbraw/zinc/88/04/43/531880443.db2.gz RJPQBBBVDUVKLT-NSHDSACASA-N 1 0 384.274 1.457 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000419016823 531880549 /nfs/dbraw/zinc/88/05/49/531880549.db2.gz FLSDQXQUDDLYPH-BZPMIXESSA-N 1 0 396.285 1.775 20 0 GDADRO CS[C@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@H]1[NH+](C)C ZINC000270495699 531880940 /nfs/dbraw/zinc/88/09/40/531880940.db2.gz OZTXDACFHJDXST-CABCVRRESA-N 1 0 382.917 1.987 20 0 GDADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000566102335 531881036 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C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418942994 531869461 /nfs/dbraw/zinc/86/94/61/531869461.db2.gz XYVYKCXXLVQKLG-ZDUSSCGKSA-N 1 0 394.313 1.807 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000367832897 531870005 /nfs/dbraw/zinc/87/00/05/531870005.db2.gz PWXVDXUSIUUJLY-AWEZNQCLSA-N 1 0 375.853 1.858 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000419048484 531891087 /nfs/dbraw/zinc/89/10/87/531891087.db2.gz AEJBFKRNPWOWQN-JSGCOSHPSA-N 1 0 384.318 1.986 20 0 GDADRO CN1CCN(C(=O)CCOc2ccc(Cl)cc2Br)[C@H](C[NH3+])C1 ZINC000647873480 531899510 /nfs/dbraw/zinc/89/95/10/531899510.db2.gz ORDJELSICBSEKU-GFCCVEGCSA-N 1 0 390.709 1.973 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000419046903 531891531 /nfs/dbraw/zinc/89/15/31/531891531.db2.gz WTWNGORZYPPVCA-ZJUUUORDSA-N 1 0 378.420 1.797 20 0 GDADRO CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000566678883 531891575 /nfs/dbraw/zinc/89/15/75/531891575.db2.gz MBHJKCPMVSALFX-KBPBESRZSA-N 1 0 380.286 1.824 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1OC ZINC000566687080 531891823 /nfs/dbraw/zinc/89/18/23/531891823.db2.gz VNJHSHSVZLBOJR-KOLCDFICSA-N 1 0 375.878 1.209 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(I)cn1 ZINC000456026993 531892080 /nfs/dbraw/zinc/89/20/80/531892080.db2.gz FPSKQXKLDMAAQG-GFCCVEGCSA-N 1 0 389.237 1.263 20 0 GDADRO CC[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC[C@H]1[NH3+] ZINC000647004407 531892403 /nfs/dbraw/zinc/89/24/03/531892403.db2.gz KTRSVAKVALOYDP-KFWWJZLASA-N 1 0 385.555 1.795 20 0 GDADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000595928478 531893040 /nfs/dbraw/zinc/89/30/40/531893040.db2.gz HGQWUSIYESMNES-UHFFFAOYSA-N 1 0 379.467 1.620 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419054937 531893305 /nfs/dbraw/zinc/89/33/05/531893305.db2.gz NDDCJZBSMVCRBL-WDEREUQCSA-N 1 0 386.265 1.456 20 0 GDADRO C[C@H](CNC(=O)CCN1C(=O)COc2cc(Br)ccc21)C[NH+](C)C ZINC000566730717 531893482 /nfs/dbraw/zinc/89/34/82/531893482.db2.gz RHIHDCDEKGXDJE-GFCCVEGCSA-N 1 0 398.301 1.879 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)[C@H]1SC ZINC000298478640 531893473 /nfs/dbraw/zinc/89/34/73/531893473.db2.gz PJDSGIUCUZIEEU-BFYDXBDKSA-N 1 0 388.555 1.298 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419055939 531893635 /nfs/dbraw/zinc/89/36/35/531893635.db2.gz PHSLPUSQPKUESI-TZMCWYRMSA-N 1 0 382.302 1.836 20 0 GDADRO C[C@H](CC(F)(F)F)CS(=O)(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000625378968 531894339 /nfs/dbraw/zinc/89/43/39/531894339.db2.gz SJENUSWXLBJNOO-TZMCWYRMSA-N 1 0 388.452 1.110 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](N)c3ccccc3Br)C2)CC1 ZINC000595930398 531894353 /nfs/dbraw/zinc/89/43/53/531894353.db2.gz VTZCNMDOLSGBSQ-PBHICJAKSA-N 1 0 395.345 1.687 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NCCC[NH2+]C2CC2)c1 ZINC000567396123 531894455 /nfs/dbraw/zinc/89/44/55/531894455.db2.gz SMPMBOHSHVIFNG-UHFFFAOYSA-N 1 0 380.388 1.912 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419056897 531895460 /nfs/dbraw/zinc/89/54/60/531895460.db2.gz SHCFOZCZMUAFLE-NSHDSACASA-N 1 0 386.265 1.457 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419063618 531895773 /nfs/dbraw/zinc/89/57/73/531895773.db2.gz GSUKUDRGKLZALI-RNCFNFMXSA-N 1 0 388.693 1.962 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)s2)cs1 ZINC000419076253 531897787 /nfs/dbraw/zinc/89/77/87/531897787.db2.gz OBPMLJMGFHVUFE-GFCCVEGCSA-N 1 0 378.523 1.707 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419078048 531898197 /nfs/dbraw/zinc/89/81/97/531898197.db2.gz SKMZXOLAIVSHPC-STQMWFEESA-N 1 0 397.317 1.245 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419079715 531898236 /nfs/dbraw/zinc/89/82/36/531898236.db2.gz NNEQMXLIPUEABB-HNNXBMFYSA-N 1 0 394.313 1.855 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])s2)cs1 ZINC000419082797 531899179 /nfs/dbraw/zinc/89/91/79/531899179.db2.gz QDTLPJIRUJFSCH-GFCCVEGCSA-N 1 0 378.523 1.788 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000419033488 531884704 /nfs/dbraw/zinc/88/47/04/531884704.db2.gz CNBVFBAZNYCDSR-QWHCGFSZSA-N 1 0 382.258 1.242 20 0 GDADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)C(=O)N1CCC[NH2+]CC1 ZINC000419039103 531886268 /nfs/dbraw/zinc/88/62/68/531886268.db2.gz KMKDYNCXIBQQJC-UHFFFAOYSA-N 1 0 394.686 1.964 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419037179 531886399 /nfs/dbraw/zinc/88/63/99/531886399.db2.gz HSJUPUWWPJUHBL-DDTOSNHZSA-N 1 0 396.285 1.503 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419042408 531887468 /nfs/dbraw/zinc/88/74/68/531887468.db2.gz PCBMIZUIBWAMMP-SUNKGSAMSA-N 1 0 396.285 1.585 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419041987 531887523 /nfs/dbraw/zinc/88/75/23/531887523.db2.gz OMRVVRNWYHRIHA-ZWNOBZJWSA-N 1 0 384.274 1.503 20 0 GDADRO O=C(NCc1cc(Cl)ccc1OC(F)F)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419045199 531889457 /nfs/dbraw/zinc/88/94/57/531889457.db2.gz RTBRVIGBWZEOOV-GFCCVEGCSA-N 1 0 375.803 1.816 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419044673 531889488 /nfs/dbraw/zinc/88/94/88/531889488.db2.gz UMWXKLGRFHCWAM-UHFFFAOYSA-N 1 0 382.675 1.995 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419045063 531889851 /nfs/dbraw/zinc/88/98/51/531889851.db2.gz VOUUJWBIBYVCAF-FZMZJTMJSA-N 1 0 398.301 1.879 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419050171 531890795 /nfs/dbraw/zinc/89/07/95/531890795.db2.gz CYOZPAFJEPHQQA-BXKDBHETSA-N 1 0 388.693 1.833 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419049015 531890982 /nfs/dbraw/zinc/89/09/82/531890982.db2.gz AJGUYVAUFBXHPC-OCCSQVGLSA-N 1 0 380.286 1.442 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419154753 531905439 /nfs/dbraw/zinc/90/54/39/531905439.db2.gz QPQRBVSHFDOKPI-UHFFFAOYSA-N 1 0 398.301 1.504 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)c1ccc(Br)cc1 ZINC000419152503 531905955 /nfs/dbraw/zinc/90/59/55/531905955.db2.gz OHFYKCSBDGLCAN-WDMOLILDSA-N 1 0 398.301 1.856 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000419153886 531906226 /nfs/dbraw/zinc/90/62/26/531906226.db2.gz PIFNTRFQRBAFRY-UHFFFAOYSA-N 1 0 394.273 1.105 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1Br ZINC000419161357 531907663 /nfs/dbraw/zinc/90/76/63/531907663.db2.gz DIABHAOOGSTAAS-UHFFFAOYSA-N 1 0 394.313 1.976 20 0 GDADRO O=C(c1cc(F)ccc1I)N1CCOC2(C[NH2+]C2)C1 ZINC000596098250 531908103 /nfs/dbraw/zinc/90/81/03/531908103.db2.gz JPIOKKFJMNCDLS-UHFFFAOYSA-N 1 0 376.169 1.245 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000419189157 531910381 /nfs/dbraw/zinc/91/03/81/531910381.db2.gz LHQWTYOZSWNFFT-HNNXBMFYSA-N 1 0 382.302 1.708 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419185873 531910639 /nfs/dbraw/zinc/91/06/39/531910639.db2.gz PNGLVAFPBNQXNJ-ZMLRMANQSA-N 1 0 386.315 1.631 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000568526666 531911290 /nfs/dbraw/zinc/91/12/90/531911290.db2.gz IMYIXWIWQXTIIG-SFYZADRCSA-N 1 0 389.275 1.531 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419197370 531911808 /nfs/dbraw/zinc/91/18/08/531911808.db2.gz AXQPKRKNFQQONV-NSHDSACASA-N 1 0 384.274 1.190 20 0 GDADRO O=C(NCCc1ccccc1Br)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419196878 531911876 /nfs/dbraw/zinc/91/18/76/531911876.db2.gz ACQXRTYYYZXCIO-UHFFFAOYSA-N 1 0 394.313 1.710 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419200402 531911939 /nfs/dbraw/zinc/91/19/39/531911939.db2.gz DOVAKEMIWQIDAR-GHMZBOCLSA-N 1 0 384.274 1.270 20 0 GDADRO COc1ccc(Cl)cc1[C@H](C)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675818863 531912032 /nfs/dbraw/zinc/91/20/32/531912032.db2.gz HPNSHDVBCKZVOP-ZDUSSCGKSA-N 1 0 375.922 1.576 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419200406 531912151 /nfs/dbraw/zinc/91/21/51/531912151.db2.gz DOVAKEMIWQIDAR-QWRGUYRKSA-N 1 0 384.274 1.270 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(CC(=O)N(C)Cc2cc(Br)cs2)CCO1 ZINC000647863593 531900057 /nfs/dbraw/zinc/90/00/57/531900057.db2.gz FWZLGYRBVKPCOD-GXFFZTMASA-N 1 0 376.320 1.517 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000283816232 531900923 /nfs/dbraw/zinc/90/09/23/531900923.db2.gz JHEJJQYXOQDUDS-CYBMUJFWSA-N 1 0 382.302 1.913 20 0 GDADRO CN(C(=O)c1sc2c(c1I)CNC2)[C@@H](C[NH3+])C1CC1 ZINC000595965449 531901194 /nfs/dbraw/zinc/90/11/94/531901194.db2.gz YTJGXQCNWKPKFK-VIFPVBQESA-N 1 0 391.278 1.765 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000419121148 531901741 /nfs/dbraw/zinc/90/17/41/531901741.db2.gz AICGQXYMHVOEJI-HZMBPMFUSA-N 1 0 388.295 1.881 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000674710099 531902990 /nfs/dbraw/zinc/90/29/90/531902990.db2.gz AAZHMYPPNMXNFH-JSGCOSHPSA-N 1 0 391.559 1.580 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)s1 ZINC000596051887 531904465 /nfs/dbraw/zinc/90/44/65/531904465.db2.gz QNSHIGDHDAEVQP-MRVPVSSYSA-N 1 0 376.378 1.053 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c(Br)c1 ZINC000596051019 531904664 /nfs/dbraw/zinc/90/46/64/531904664.db2.gz JNFILONURZEZTQ-AWEZNQCLSA-N 1 0 391.287 1.656 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)CC[NH2+]1 ZINC000419256901 531918192 /nfs/dbraw/zinc/91/81/92/531918192.db2.gz XXUKNJBFAHDDDO-SUZMYJTESA-N 1 0 398.326 1.969 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000625892910 531918934 /nfs/dbraw/zinc/91/89/34/531918934.db2.gz CWICSGDSJNTTBN-CMPLNLGQSA-N 1 0 384.278 1.553 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCOc2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000419264017 531919120 /nfs/dbraw/zinc/91/91/20/531919120.db2.gz WUFJMOLRPDDNNI-RYUDHWBXSA-N 1 0 384.274 1.153 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1cccc(Br)c1 ZINC000419283200 531921368 /nfs/dbraw/zinc/92/13/68/531921368.db2.gz LLRJOORCYAJNPD-IACUBPJLSA-N 1 0 380.286 1.694 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCc1ccccc1Br ZINC000649077089 531921621 /nfs/dbraw/zinc/92/16/21/531921621.db2.gz LOUCWLZSESRYJC-ZDUSSCGKSA-N 1 0 382.302 1.960 20 0 GDADRO C[N@H+](CCC(=O)Nc1sccc1C(N)=O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000298791190 531921757 /nfs/dbraw/zinc/92/17/57/531921757.db2.gz YKCJYMCOXVSVGW-STQMWFEESA-N 1 0 387.527 1.463 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419303296 531923116 /nfs/dbraw/zinc/92/31/16/531923116.db2.gz RNTJHKGUBKIIEA-WFASDCNBSA-N 1 0 382.302 1.796 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649130046 531923607 /nfs/dbraw/zinc/92/36/07/531923607.db2.gz VPRSCOFPVQKJTI-UHFFFAOYSA-N 1 0 384.274 1.795 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)Nc1ccc(Br)cc1F ZINC000419348621 531926065 /nfs/dbraw/zinc/92/60/65/531926065.db2.gz XUKQAZQVWFHJBZ-VXGBXAGGSA-N 1 0 388.281 1.914 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccccc1Br)CN1CC[NH+](C)CC1 ZINC000298829349 531926332 /nfs/dbraw/zinc/92/63/32/531926332.db2.gz VACHGBWHDUYIHP-ZDUSSCGKSA-N 1 0 390.347 1.611 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1ccccc1Br)C1CCCC1 ZINC000419209566 531914950 /nfs/dbraw/zinc/91/49/50/531914950.db2.gz SURDXAWRBYFUPT-OAHLLOKOSA-N 1 0 382.302 1.742 20 0 GDADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C[C@@H]1C ZINC000677177793 531915160 /nfs/dbraw/zinc/91/51/60/531915160.db2.gz WEXZFRQCMNJJAJ-GJZGRUSLSA-N 1 0 385.555 1.844 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1ccccc1Br)C1CCCC1 ZINC000419209565 531915458 /nfs/dbraw/zinc/91/54/58/531915458.db2.gz SURDXAWRBYFUPT-HNNXBMFYSA-N 1 0 382.302 1.742 20 0 GDADRO Ic1cnc(N2CCC([N@@H+]3CCCOCC3)CC2)nc1 ZINC000596267867 531915690 /nfs/dbraw/zinc/91/56/90/531915690.db2.gz ANJXCWIVLLEBTJ-UHFFFAOYSA-N 1 0 388.253 1.772 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000648830284 531915920 /nfs/dbraw/zinc/91/59/20/531915920.db2.gz QCGDXUAUKQMTGG-PWSUYJOCSA-N 1 0 375.288 1.466 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000648917959 531916820 /nfs/dbraw/zinc/91/68/20/531916820.db2.gz HMHOABRNCLJJEY-CYBMUJFWSA-N 1 0 395.301 1.912 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419239464 531916871 /nfs/dbraw/zinc/91/68/71/531916871.db2.gz FEMYCJKHOSVUFK-GXFFZTMASA-N 1 0 398.326 1.828 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419238694 531916875 /nfs/dbraw/zinc/91/68/75/531916875.db2.gz DOGUSJPYVNGMSO-GFCCVEGCSA-N 1 0 386.315 1.780 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000569822372 531930631 /nfs/dbraw/zinc/93/06/31/531930631.db2.gz UIUGHDDNDQOPBK-HNNXBMFYSA-N 1 0 386.290 1.848 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000419402702 531931258 /nfs/dbraw/zinc/93/12/58/531931258.db2.gz PBBZBGCUMQRMQB-CABZTGNLSA-N 1 0 375.256 1.079 20 0 GDADRO CCCN(C(=O)C(=O)NCc1ccc(O)c(Br)c1)C1CC[NH2+]CC1 ZINC000419407168 531932174 /nfs/dbraw/zinc/93/21/74/531932174.db2.gz KDWPRRCJNUEYGE-UHFFFAOYSA-N 1 0 398.301 1.762 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419594293 531939578 /nfs/dbraw/zinc/93/95/78/531939578.db2.gz YYXUEJYGRRDXIO-KMUNFCNLSA-N 1 0 380.286 1.667 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])s1 ZINC000569844886 531932444 /nfs/dbraw/zinc/93/24/44/531932444.db2.gz IBRVOWMUSYLXOI-MRXNPFEDSA-N 1 0 379.507 1.631 20 0 GDADRO COc1cc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc(OC)c1Br ZINC000626479683 531932971 /nfs/dbraw/zinc/93/29/71/531932971.db2.gz PFEUTQYBJJSMOG-LLVKDONJSA-N 1 0 388.262 1.654 20 0 GDADRO COc1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)cc1Br ZINC000419449593 531933162 /nfs/dbraw/zinc/93/31/62/531933162.db2.gz YGAAHLMVAZTXKE-UHFFFAOYSA-N 1 0 398.301 1.852 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC000419480770 531935392 /nfs/dbraw/zinc/93/53/92/531935392.db2.gz QOONQEUGMCZOQE-MNOVXSKESA-N 1 0 388.281 1.607 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC000419476223 531935580 /nfs/dbraw/zinc/93/55/80/531935580.db2.gz IUNPNJICSJUCOC-LLVKDONJSA-N 1 0 388.281 1.751 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000570307173 531937074 /nfs/dbraw/zinc/93/70/74/531937074.db2.gz JYGUCSNAQYRHEA-LLVKDONJSA-N 1 0 392.884 1.138 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCc3c2cccc3Br)CC[NH2+]1 ZINC000419588269 531938707 /nfs/dbraw/zinc/93/87/07/531938707.db2.gz OPLSBGBRRIIMEW-ZETOZRRWSA-N 1 0 380.286 1.809 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000368639874 531927565 /nfs/dbraw/zinc/92/75/65/531927565.db2.gz YPGHHERJUBNLOJ-JSGCOSHPSA-N 1 0 393.506 1.207 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000419355548 531928110 /nfs/dbraw/zinc/92/81/10/531928110.db2.gz MAIFGITWQWUJSW-SMDDNHRTSA-N 1 0 398.301 1.660 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000419610864 531940797 /nfs/dbraw/zinc/94/07/97/531940797.db2.gz KIJTVZURUMSEQX-WCQYABFASA-N 1 0 384.274 1.201 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1OC ZINC000626910025 531941208 /nfs/dbraw/zinc/94/12/08/531941208.db2.gz WIPLXVGVDVSFOC-WCBMZHEXSA-N 1 0 386.246 1.271 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)Oc1ccccc1Br ZINC000419613738 531941220 /nfs/dbraw/zinc/94/12/20/531941220.db2.gz NWDGGTZZBKZZIG-NWDGAFQWSA-N 1 0 384.274 1.282 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)Oc1cccc(Br)c1 ZINC000419614042 531942318 /nfs/dbraw/zinc/94/23/18/531942318.db2.gz ODKQQWROUGGEFK-AGIUHOORSA-N 1 0 398.301 1.528 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000419620402 531942496 /nfs/dbraw/zinc/94/24/96/531942496.db2.gz QRTJQGFJVHMKGG-TZMCWYRMSA-N 1 0 398.301 1.591 20 0 GDADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419620586 531942618 /nfs/dbraw/zinc/94/26/18/531942618.db2.gz DVZAYHFEQMWLHR-YWPYICTPSA-N 1 0 398.301 1.462 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)C(F)F ZINC000627097178 531942911 /nfs/dbraw/zinc/94/29/11/531942911.db2.gz DRRRRMPCMKELKD-GHMZBOCLSA-N 1 0 378.782 1.866 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000627035005 531943804 /nfs/dbraw/zinc/94/38/04/531943804.db2.gz PMFMWGBQPIOBNZ-GXSJLCMTSA-N 1 0 395.312 1.321 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)Oc1cccc(Br)c1 ZINC000419625146 531944731 /nfs/dbraw/zinc/94/47/31/531944731.db2.gz WEYZOCCOVJWFOW-YPMHNXCESA-N 1 0 384.274 1.282 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000627185105 531946092 /nfs/dbraw/zinc/94/60/92/531946092.db2.gz PUPYPRXVBKSJTG-GFCCVEGCSA-N 1 0 393.285 1.987 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000570967458 531946200 /nfs/dbraw/zinc/94/62/00/531946200.db2.gz HWVALZPAIPRTBR-ZYHUDNBSSA-N 1 0 380.495 1.265 20 0 GDADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627187855 531946471 /nfs/dbraw/zinc/94/64/71/531946471.db2.gz BHBYUWHXLGWGJY-LBPRGKRZSA-N 1 0 392.319 1.657 20 0 GDADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419636482 531946757 /nfs/dbraw/zinc/94/67/57/531946757.db2.gz RUHJNPSRIZFXHF-ZWNOBZJWSA-N 1 0 386.290 1.495 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419649261 531948014 /nfs/dbraw/zinc/94/80/14/531948014.db2.gz MYUODUQSANCKQF-AWEZNQCLSA-N 1 0 397.317 1.212 20 0 GDADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)C(=O)NCCC[NH3+] ZINC000419656933 531948236 /nfs/dbraw/zinc/94/82/36/531948236.db2.gz VMXXFRZZCOVSEB-NOZJJQNGSA-N 1 0 386.315 1.813 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000652383422 531948464 /nfs/dbraw/zinc/94/84/64/531948464.db2.gz QXCWNBDNPXZWOY-BNOWGMLFSA-N 1 0 378.445 1.198 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Cl ZINC000652383280 531948511 /nfs/dbraw/zinc/94/85/11/531948511.db2.gz KIQHGFIIOKIKCQ-GLQYFDAESA-N 1 0 389.905 1.793 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000419648531 531948654 /nfs/dbraw/zinc/94/86/54/531948654.db2.gz LDGQIRISDFTUBL-IGJMFERPSA-N 1 0 386.315 1.812 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419672416 531950934 /nfs/dbraw/zinc/95/09/34/531950934.db2.gz HOLMKQNTAHKEEI-WDEREUQCSA-N 1 0 396.285 1.209 20 0 GDADRO Cc1sc(Br)nc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000298932681 531940207 /nfs/dbraw/zinc/94/02/07/531940207.db2.gz MVHRWAIRUMUMSJ-JTQLQIEISA-N 1 0 375.336 1.970 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000626867140 531940316 /nfs/dbraw/zinc/94/03/16/531940316.db2.gz OOWYWKQOHJNYJI-UHFFFAOYSA-N 1 0 380.189 1.018 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000419695968 531957564 /nfs/dbraw/zinc/95/75/64/531957564.db2.gz UHIRAIBNOKPVDZ-UWVGGRQHSA-N 1 0 390.303 1.092 20 0 GDADRO Cn1cc(Br)c(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)n1 ZINC000457645196 531958332 /nfs/dbraw/zinc/95/83/32/531958332.db2.gz YIUWXDLMRUEWBP-UHFFFAOYSA-N 1 0 387.326 1.008 20 0 GDADRO O=C(NCc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284487819 531963322 /nfs/dbraw/zinc/96/33/22/531963322.db2.gz ZLROZJQZRCRPGX-VHSXEESVSA-N 1 0 376.404 1.521 20 0 GDADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419735166 531963759 /nfs/dbraw/zinc/96/37/59/531963759.db2.gz VQTJXFTVYAVUBV-GBIKHYSHSA-N 1 0 384.263 1.611 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419674761 531952656 /nfs/dbraw/zinc/95/26/56/531952656.db2.gz KERUWUTUZUGFDC-HZMBPMFUSA-N 1 0 396.285 1.257 20 0 GDADRO CN(CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)S(C)(=O)=O ZINC000597661029 531953055 /nfs/dbraw/zinc/95/30/55/531953055.db2.gz MCHZFCXZORIFKS-MRXNPFEDSA-N 1 0 387.933 1.702 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC000627477673 531953615 /nfs/dbraw/zinc/95/36/15/531953615.db2.gz ZUUZXGNWLWXODP-YPMHNXCESA-N 1 0 380.286 1.856 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000369286599 531953740 /nfs/dbraw/zinc/95/37/40/531953740.db2.gz CAXQUMFPFOSMQF-OAHLLOKOSA-N 1 0 375.535 1.647 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000271013609 531954400 /nfs/dbraw/zinc/95/44/00/531954400.db2.gz DWJPEOBVQSERBD-HUUCEWRRSA-N 1 0 385.306 1.028 20 0 GDADRO C[NH+](C)CCOc1ccc(CNC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1 ZINC000299077738 531955983 /nfs/dbraw/zinc/95/59/83/531955983.db2.gz XMCSPVYOLXPHRS-INIZCTEOSA-N 1 0 386.539 1.164 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000419755751 531965028 /nfs/dbraw/zinc/96/50/28/531965028.db2.gz FBEJNDXIUMOWDN-NWDGAFQWSA-N 1 0 385.295 1.509 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419747289 531965300 /nfs/dbraw/zinc/96/53/00/531965300.db2.gz MYXLTKVMNCUDGX-HNNXBMFYSA-N 1 0 382.302 1.612 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419757071 531966426 /nfs/dbraw/zinc/96/64/26/531966426.db2.gz HRAZIPVZNXFGSH-LBPRGKRZSA-N 1 0 387.311 1.756 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419779635 531967853 /nfs/dbraw/zinc/96/78/53/531967853.db2.gz NFQWIUFOVHAGAU-PIGZYNQJSA-N 1 0 398.301 1.832 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC[NH2+]1 ZINC000419782910 531969037 /nfs/dbraw/zinc/96/90/37/531969037.db2.gz RUYUFBXNHYQWMR-BONVTDFDSA-N 1 0 398.276 1.976 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000419784053 531969134 /nfs/dbraw/zinc/96/91/34/531969134.db2.gz TZFCETGNCKDBAQ-UHFFFAOYSA-N 1 0 387.311 1.410 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271132889 531970725 /nfs/dbraw/zinc/97/07/25/531970725.db2.gz SOVXMKZUNIJNGR-LLVKDONJSA-N 1 0 377.894 1.213 20 0 GDADRO C[C@H](C(=O)NC1(C[NH3+])CCCC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000572843136 531971695 /nfs/dbraw/zinc/97/16/95/531971695.db2.gz QETHRRGCJFJDDF-SNVBAGLBSA-N 1 0 394.269 1.821 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419812828 531972551 /nfs/dbraw/zinc/97/25/51/531972551.db2.gz IDKRBTOHDNXTAU-XQQFMLRXSA-N 1 0 382.302 1.705 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419811151 531972809 /nfs/dbraw/zinc/97/28/09/531972809.db2.gz HIFPAVKAORMXNC-GXTWGEPZSA-N 1 0 382.302 1.612 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)CC[NH3+] ZINC000573001803 531973046 /nfs/dbraw/zinc/97/30/46/531973046.db2.gz AANQXPLDMAYWQO-DGCLKSJQSA-N 1 0 377.507 1.079 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000419816942 531973225 /nfs/dbraw/zinc/97/32/25/531973225.db2.gz LNCKIIXUVPCKMH-BETUJISGSA-N 1 0 394.313 1.521 20 0 GDADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572986658 531973530 /nfs/dbraw/zinc/97/35/30/531973530.db2.gz PAGNAIBIJGHPNI-AAEUAGOBSA-N 1 0 392.253 1.888 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419816363 531973587 /nfs/dbraw/zinc/97/35/87/531973587.db2.gz KBHGZAROEPCUNJ-UHFFFAOYSA-N 1 0 378.420 1.898 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000572997655 531973678 /nfs/dbraw/zinc/97/36/78/531973678.db2.gz HROLHULUBQQVBX-ZETCQYMHSA-N 1 0 387.259 2.120 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000419826133 531973989 /nfs/dbraw/zinc/97/39/89/531973989.db2.gz QNVYNBJNSCAOQQ-SHPPOPEUSA-N 1 0 394.313 1.692 20 0 GDADRO COCCN(Cc1ccc(Br)s1)C(=O)C(=O)NCCCC[NH3+] ZINC000419825317 531974498 /nfs/dbraw/zinc/97/44/98/531974498.db2.gz APRLQBDHIVUTFU-UHFFFAOYSA-N 1 0 392.319 1.341 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCC1)c1ccc(Br)cc1 ZINC000419831279 531975511 /nfs/dbraw/zinc/97/55/11/531975511.db2.gz WWLOQMWHGOVNKT-UHFFFAOYSA-N 1 0 382.302 1.841 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000419828526 531975735 /nfs/dbraw/zinc/97/57/35/531975735.db2.gz RZDQFMDKXHKKLU-GFCCVEGCSA-N 1 0 382.302 1.707 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)c(C)s1 ZINC000655734850 531975824 /nfs/dbraw/zinc/97/58/24/531975824.db2.gz NZVOZHMNRZBWTF-MRXNPFEDSA-N 1 0 387.571 1.486 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cccs1 ZINC000655736948 531975843 /nfs/dbraw/zinc/97/58/43/531975843.db2.gz IRCBQXVZDMGNEB-HZPDHXFCSA-N 1 0 388.555 1.116 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419843298 531976272 /nfs/dbraw/zinc/97/62/72/531976272.db2.gz MLXYSKWMOJOGCB-AWEZNQCLSA-N 1 0 398.301 1.545 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000419840606 531976753 /nfs/dbraw/zinc/97/67/53/531976753.db2.gz DKDZFBRYGSBICE-UHFFFAOYSA-N 1 0 378.523 1.790 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419849650 531977946 /nfs/dbraw/zinc/97/79/46/531977946.db2.gz ZAHGBAZBMZHHHK-AWEZNQCLSA-N 1 0 380.286 1.808 20 0 GDADRO CN1CCC([NH+]2CCC(NC(=O)Cn3cc(Br)cn3)CC2)CC1 ZINC000299460251 531992217 /nfs/dbraw/zinc/99/22/17/531992217.db2.gz DBKSGHVTCQFBTK-UHFFFAOYSA-N 1 0 384.322 1.320 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000573906130 531992905 /nfs/dbraw/zinc/99/29/05/531992905.db2.gz XPBPAFVIBIUWLO-HIFRSBDPSA-N 1 0 395.301 1.996 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(I)cc1)C2 ZINC000598720569 531993167 /nfs/dbraw/zinc/99/31/67/531993167.db2.gz PBGPLFKVYAVJJS-GXFFZTMASA-N 1 0 392.262 1.793 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CC12CCOCC2 ZINC000574083067 531993827 /nfs/dbraw/zinc/99/38/27/531993827.db2.gz ZUXRMLIZIFMDBH-GFCCVEGCSA-N 1 0 389.315 1.825 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000657060894 531994327 /nfs/dbraw/zinc/99/43/27/531994327.db2.gz JHVADFDVIXJVBY-NSHDSACASA-N 1 0 393.506 1.348 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 ZINC000657061317 531994604 /nfs/dbraw/zinc/99/46/04/531994604.db2.gz MGTPZMWORRHYJB-GFCCVEGCSA-N 1 0 393.506 1.348 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000573357891 531981256 /nfs/dbraw/zinc/98/12/56/531981256.db2.gz DEJNAAVPYOCQRK-DGCLKSJQSA-N 1 0 397.324 1.604 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000419895644 531982072 /nfs/dbraw/zinc/98/20/72/531982072.db2.gz SNIBQLCKZKBFBQ-CQSZACIVSA-N 1 0 398.301 1.847 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419891446 531982372 /nfs/dbraw/zinc/98/23/72/531982372.db2.gz JPZHAPGBKBOSHD-CABCVRRESA-N 1 0 380.286 1.981 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000419890133 531982456 /nfs/dbraw/zinc/98/24/56/531982456.db2.gz HVLAEOKGGNRARF-IUODEOHRSA-N 1 0 386.279 1.762 20 0 GDADRO CO[C@@H](CS(=O)(=O)N1CCC(OCCC[NH+](C)C)CC1)C1CCCC1 ZINC000656931543 531982729 /nfs/dbraw/zinc/98/27/29/531982729.db2.gz YSMHHCSMGIZXNI-SFHVURJKSA-N 1 0 376.563 1.954 20 0 GDADRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC1 ZINC000573427821 531984655 /nfs/dbraw/zinc/98/46/55/531984655.db2.gz LTZKUKLCVQORFJ-OAHLLOKOSA-N 1 0 389.905 1.313 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000419914242 531985007 /nfs/dbraw/zinc/98/50/07/531985007.db2.gz ATIGIPLTAPZAGU-UHFFFAOYSA-N 1 0 386.265 1.589 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000419927813 531986010 /nfs/dbraw/zinc/98/60/10/531986010.db2.gz RQHJUDFATBCSDV-UHFFFAOYSA-N 1 0 386.677 1.323 20 0 GDADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000370419309 531987242 /nfs/dbraw/zinc/98/72/42/531987242.db2.gz UUNDPSXXNWPKGI-MRXNPFEDSA-N 1 0 398.345 1.954 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000419950723 531989324 /nfs/dbraw/zinc/98/93/24/531989324.db2.gz HOCRDAFJCJOEDF-QMTHXVAHSA-N 1 0 386.265 1.963 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000598665567 531990890 /nfs/dbraw/zinc/99/08/90/531990890.db2.gz QYXMSJZSRQWAKD-NSHDSACASA-N 1 0 385.214 1.155 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000419958621 531991317 /nfs/dbraw/zinc/99/13/17/531991317.db2.gz VBLNFTRIKFUFBL-JTQLQIEISA-N 1 0 388.331 1.973 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000419961267 531991628 /nfs/dbraw/zinc/99/16/28/531991628.db2.gz XAZAPNQCFZKKOV-ABAIWWIYSA-N 1 0 388.295 1.865 20 0 GDADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000419961365 531991637 /nfs/dbraw/zinc/99/16/37/531991637.db2.gz YRWOYBIPUHQURG-HIFRSBDPSA-N 1 0 395.301 1.766 20 0 GDADRO C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000574573485 531996099 /nfs/dbraw/zinc/99/60/99/531996099.db2.gz QWJCBLQNTZWVDZ-GARJFASQSA-N 1 0 394.269 1.642 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000657072211 531996853 /nfs/dbraw/zinc/99/68/53/531996853.db2.gz XDHUOOFPDVWJAE-LBPRGKRZSA-N 1 0 382.452 1.651 20 0 GDADRO CSc1ccc([C@@H](CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)[NH+](C)C)cc1 ZINC000458905167 531999549 /nfs/dbraw/zinc/99/95/49/531999549.db2.gz VALMXQYAWOMJOJ-LSDHHAIUSA-N 1 0 386.543 1.084 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N(Cc2csc(Br)c2)C2CC2)CCC1 ZINC000420090580 532000297 /nfs/dbraw/zinc/00/02/97/532000297.db2.gz LKMHRUMGCAYQJR-UHFFFAOYSA-N 1 0 386.315 1.999 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000420133110 532003994 /nfs/dbraw/zinc/00/39/94/532003994.db2.gz YVOZUKPBADVTFB-VIFPVBQESA-N 1 0 377.329 1.963 20 0 GDADRO COCCOCCS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000370959002 532004272 /nfs/dbraw/zinc/00/42/72/532004272.db2.gz JBQSHFYBVXBHEA-GDBMZVCRSA-N 1 0 376.544 1.713 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000420122634 532004655 /nfs/dbraw/zinc/00/46/55/532004655.db2.gz LMNZPWIEMOWDME-IUODEOHRSA-N 1 0 382.302 1.564 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000420127236 532004658 /nfs/dbraw/zinc/00/46/58/532004658.db2.gz OSYIUPUBHNUTDF-WCQYABFASA-N 1 0 398.301 1.673 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000420112251 532002981 /nfs/dbraw/zinc/00/29/81/532002981.db2.gz DHQDRYLLSOIHSX-YGRLFVJLSA-N 1 0 386.265 1.661 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1nccn2c(Br)cnc12 ZINC000271351902 532005234 /nfs/dbraw/zinc/00/52/34/532005234.db2.gz HJSCSINZNDNOSF-GFCCVEGCSA-N 1 0 396.289 1.459 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ncnc3cc(Br)ccc32)C1 ZINC000420174374 532007221 /nfs/dbraw/zinc/00/72/21/532007221.db2.gz SSQIVXIHPOTHET-LLVKDONJSA-N 1 0 378.274 1.684 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)CCC(C)(F)F)c1 ZINC000631891935 532007279 /nfs/dbraw/zinc/00/72/79/532007279.db2.gz PFIYFINUXNCTIB-UHFFFAOYSA-N 1 0 377.457 1.443 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420171499 532007741 /nfs/dbraw/zinc/00/77/41/532007741.db2.gz ZXIHXGRPRIFHEF-UHFFFAOYSA-N 1 0 386.315 1.895 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000420174008 532007913 /nfs/dbraw/zinc/00/79/13/532007913.db2.gz WGIJEHXZWIVTNG-IINYFYTJSA-N 1 0 386.265 1.803 20 0 GDADRO CCS(=O)(=O)NCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000371156441 532009047 /nfs/dbraw/zinc/00/90/47/532009047.db2.gz RFWXBLDFIDZADQ-AWEZNQCLSA-N 1 0 391.896 1.499 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)NCc1nn(C)cc1I ZINC000459117688 532009159 /nfs/dbraw/zinc/00/91/59/532009159.db2.gz YTQSTVDBRHOZFD-UHFFFAOYSA-N 1 0 393.273 1.508 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000420204262 532009201 /nfs/dbraw/zinc/00/92/01/532009201.db2.gz ORCQHNUBRFPREZ-WCQYABFASA-N 1 0 380.286 1.577 20 0 GDADRO COc1ncc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)c(C)c1Br ZINC000657581599 532010275 /nfs/dbraw/zinc/01/02/75/532010275.db2.gz ZFQFEOIICFZPGP-JTQLQIEISA-N 1 0 385.262 1.310 20 0 GDADRO CN(C)c1ccncc1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657564759 532010510 /nfs/dbraw/zinc/01/05/10/532010510.db2.gz ZRDBMWISTJBYEI-UHFFFAOYSA-N 1 0 378.274 1.825 20 0 GDADRO COc1cc(C[NH2+]C[C@@]2(OCCO)CCOC2)cc(Br)c1O ZINC000657595691 532011786 /nfs/dbraw/zinc/01/17/86/532011786.db2.gz CBJDPKDYLFWVFP-HNNXBMFYSA-N 1 0 376.247 1.421 20 0 GDADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420445917 532012412 /nfs/dbraw/zinc/01/24/12/532012412.db2.gz ASUOUUMQAFQLFS-TZMCWYRMSA-N 1 0 392.905 1.411 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000420450220 532014492 /nfs/dbraw/zinc/01/44/92/532014492.db2.gz GWSBZHFSHDJKFP-WDEREUQCSA-N 1 0 376.320 1.921 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000420448970 532014593 /nfs/dbraw/zinc/01/45/93/532014593.db2.gz FIFGNXHKRCJGBF-NEPJUHHUSA-N 1 0 393.506 1.382 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000420449992 532014708 /nfs/dbraw/zinc/01/47/08/532014708.db2.gz GWSBZHFSHDJKFP-MNOVXSKESA-N 1 0 376.320 1.921 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000299653440 532015317 /nfs/dbraw/zinc/01/53/17/532015317.db2.gz SLNXNRMIKFPAAO-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1F ZINC000420454132 532015972 /nfs/dbraw/zinc/01/59/72/532015972.db2.gz VWDKJTDHNNLXQU-AWEZNQCLSA-N 1 0 395.522 1.629 20 0 GDADRO CN1CCO[C@H]([C@@H](NS(=O)(=O)CCC[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000632164778 532016223 /nfs/dbraw/zinc/01/62/23/532016223.db2.gz WGJIYOLQNGAJKM-IRXDYDNUSA-N 1 0 389.949 1.583 20 0 GDADRO CN1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@@H](C[NH3+])C1 ZINC000575921296 532017100 /nfs/dbraw/zinc/01/71/00/532017100.db2.gz PDWNWRFVMFLEQP-HNNXBMFYSA-N 1 0 378.274 1.350 20 0 GDADRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000271465959 532017380 /nfs/dbraw/zinc/01/73/80/532017380.db2.gz IGZPZGXJFWFNHK-FENDNCTDSA-N 1 0 388.555 1.515 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1OC ZINC000420461036 532018501 /nfs/dbraw/zinc/01/85/01/532018501.db2.gz TXZULESNPTUJNP-KOLCDFICSA-N 1 0 375.878 1.114 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)nc3)[C@@H]2C1 ZINC000371492927 532018108 /nfs/dbraw/zinc/01/81/08/532018108.db2.gz KRBSAIJQISQEFO-DGCLKSJQSA-N 1 0 379.404 1.737 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000420469883 532020758 /nfs/dbraw/zinc/02/07/58/532020758.db2.gz KYAXSZFHPUVJNT-CQSZACIVSA-N 1 0 392.905 1.494 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(O)c1Br ZINC000459546542 532021923 /nfs/dbraw/zinc/02/19/23/532021923.db2.gz REMFBSCMTWJRPM-ZYHUDNBSSA-N 1 0 377.304 1.962 20 0 GDADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000285056739 532025658 /nfs/dbraw/zinc/02/56/58/532025658.db2.gz FGAGOCLGDMANQS-GFCCVEGCSA-N 1 0 383.290 1.877 20 0 GDADRO COCCNC(=O)C1(NCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000459759116 532028016 /nfs/dbraw/zinc/02/80/16/532028016.db2.gz QTFNAMRPAWRPNY-UHFFFAOYSA-N 1 0 384.267 1.959 20 0 GDADRO Cn1nccc1[C@@H](CO)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000459760252 532028044 /nfs/dbraw/zinc/02/80/44/532028044.db2.gz QHDHJCVDGJOQEC-ZIAGYGMSSA-N 1 0 379.258 1.611 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000576833570 532028225 /nfs/dbraw/zinc/02/82/25/532028225.db2.gz YDNJRMVUOINMIO-UHFFFAOYSA-N 1 0 379.258 1.434 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC2([NH+](C)C)CC2)c1 ZINC000632488583 532034017 /nfs/dbraw/zinc/03/40/17/532034017.db2.gz CESGERBGHRGRCO-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000285184518 532045145 /nfs/dbraw/zinc/04/51/45/532045145.db2.gz UWJIOWLQRKPJKU-GFCCVEGCSA-N 1 0 388.295 1.489 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000460659244 532046599 /nfs/dbraw/zinc/04/65/99/532046599.db2.gz RHFPJBJFILJYPW-INMHGKMJSA-N 1 0 375.535 1.142 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000420744893 532048628 /nfs/dbraw/zinc/04/86/28/532048628.db2.gz LWUCTNFPCXNCKC-UHFFFAOYSA-N 1 0 389.543 1.088 20 0 GDADRO NS(=O)(=O)c1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000302795902 532050415 /nfs/dbraw/zinc/05/04/15/532050415.db2.gz PGVMYFKBOAHSGC-AWEZNQCLSA-N 1 0 382.511 1.494 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2Br)CC1 ZINC000634969390 532057425 /nfs/dbraw/zinc/05/74/25/532057425.db2.gz NCWOCFOXGFVXJH-QWHCGFSZSA-N 1 0 392.315 1.746 20 0 GDADRO C[C@](O)(C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000634709157 532056074 /nfs/dbraw/zinc/05/60/74/532056074.db2.gz FHLULVQVAKJYKU-RISCZKNCSA-N 1 0 382.935 1.181 20 0 GDADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(I)cc1F ZINC000579143274 532058797 /nfs/dbraw/zinc/05/87/97/532058797.db2.gz RNWTWYOMRORSFU-UHFFFAOYSA-N 1 0 379.173 1.047 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC2=CC[N@H+](C)CC2)s1 ZINC000271865790 532059211 /nfs/dbraw/zinc/05/92/11/532059211.db2.gz KVAIKBCSPGVJIT-OAHLLOKOSA-N 1 0 383.539 1.588 20 0 GDADRO C[NH+](C)C1(CNC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CCCCCC1 ZINC000635121707 532059822 /nfs/dbraw/zinc/05/98/22/532059822.db2.gz FKVVBKHJIONSTL-CHWSQXEVSA-N 1 0 384.464 1.980 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc1OC ZINC000316117247 532061242 /nfs/dbraw/zinc/06/12/42/532061242.db2.gz FVSGPSNHWQXFFL-UHFFFAOYSA-N 1 0 393.303 1.839 20 0 GDADRO O[C@@H](C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F)COc1ccccc1Cl ZINC000579465922 532061317 /nfs/dbraw/zinc/06/13/17/532061317.db2.gz WMGBZIFXDPEUSE-WFASDCNBSA-N 1 0 382.810 1.932 20 0 GDADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635414967 532063082 /nfs/dbraw/zinc/06/30/82/532063082.db2.gz FHNFDZIYIZNMLJ-NDKCEZKHSA-N 1 0 384.464 1.692 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000467710554 532062284 /nfs/dbraw/zinc/06/22/84/532062284.db2.gz KDMZQOMAISBLEV-ONGXEEELSA-N 1 0 386.315 1.839 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3onc(C4CC4)c3Cl)C2)CC1 ZINC000601340405 532062512 /nfs/dbraw/zinc/06/25/12/532062512.db2.gz RFBLSKIXCFACLS-ZDUSSCGKSA-N 1 0 388.921 1.606 20 0 GDADRO O=C(Nc1cc(C(F)(F)F)ccc1Br)C(=O)N1CC[NH2+]CC1 ZINC000318429594 532064567 /nfs/dbraw/zinc/06/45/67/532064567.db2.gz WCJWURWPKDZRID-UHFFFAOYSA-N 1 0 380.164 1.838 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)n1 ZINC000373139267 532066030 /nfs/dbraw/zinc/06/60/30/532066030.db2.gz KHAIJTMHEUUZHT-VXGBXAGGSA-N 1 0 381.274 1.834 20 0 GDADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422854716 532068461 /nfs/dbraw/zinc/06/84/61/532068461.db2.gz BIJZCFZPLRURBX-GJZGRUSLSA-N 1 0 398.301 1.452 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000423093247 532070401 /nfs/dbraw/zinc/07/04/01/532070401.db2.gz GSHBFJZDBVNTMI-IUODEOHRSA-N 1 0 386.279 1.843 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000423110587 532072954 /nfs/dbraw/zinc/07/29/54/532072954.db2.gz PEVLJPAVGDUKLR-DOMZBBRYSA-N 1 0 380.286 1.933 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423467283 532074945 /nfs/dbraw/zinc/07/49/45/532074945.db2.gz DLELYYPVRMDTSH-VXGBXAGGSA-N 1 0 380.286 1.845 20 0 GDADRO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423489650 532075302 /nfs/dbraw/zinc/07/53/02/532075302.db2.gz WQVWQWDOPUXNBI-PELKAZGASA-N 1 0 398.273 1.744 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)C1 ZINC000580401766 532074003 /nfs/dbraw/zinc/07/40/03/532074003.db2.gz XWJLFBYZYUIZEG-RYUDHWBXSA-N 1 0 389.568 1.343 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)C1 ZINC000423634258 532078060 /nfs/dbraw/zinc/07/80/60/532078060.db2.gz QJYMCRNVDPTUDZ-HUUCEWRRSA-N 1 0 394.313 1.647 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)C1 ZINC000423637566 532078469 /nfs/dbraw/zinc/07/84/69/532078469.db2.gz HNVYEYQXQMRMJV-GDBMZVCRSA-N 1 0 394.313 1.790 20 0 GDADRO Cn1cc(I)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000602394247 532075958 /nfs/dbraw/zinc/07/59/58/532075958.db2.gz OWNWRGVSVURUPQ-NSHDSACASA-N 1 0 388.253 1.771 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC000423511008 532076255 /nfs/dbraw/zinc/07/62/55/532076255.db2.gz NAXKUCNCNKAKRY-OAHLLOKOSA-N 1 0 380.286 1.747 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423501468 532076302 /nfs/dbraw/zinc/07/63/02/532076302.db2.gz DPVMTMODPCZHBQ-AAEUAGOBSA-N 1 0 386.279 1.780 20 0 GDADRO CC(=O)N1CCN(CC[NH2+]Cc2ccc(I)s2)CC1 ZINC000602514217 532079074 /nfs/dbraw/zinc/07/90/74/532079074.db2.gz IGOBGKGYCJJMBS-UHFFFAOYSA-N 1 0 393.294 1.606 20 0 GDADRO Cc1ccnc(N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c1Br ZINC000581402287 532079672 /nfs/dbraw/zinc/07/96/72/532079672.db2.gz DUOUECMSGZXQJO-GFCCVEGCSA-N 1 0 393.289 1.941 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000423714614 532079753 /nfs/dbraw/zinc/07/97/53/532079753.db2.gz XYSGRQWAEBCGAA-HIFRSBDPSA-N 1 0 396.329 1.893 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(I)cc1 ZINC000581427165 532079893 /nfs/dbraw/zinc/07/98/93/532079893.db2.gz GYKQLIDENIXADW-LBPRGKRZSA-N 1 0 387.221 1.488 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000423733294 532081038 /nfs/dbraw/zinc/08/10/38/532081038.db2.gz BTGIWLCHZSALSH-JFGNBEQYSA-N 1 0 394.269 1.677 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ncc(Br)cc1Br ZINC000423751669 532081183 /nfs/dbraw/zinc/08/11/83/532081183.db2.gz WDABFPFBHRCRDP-VIFPVBQESA-N 1 0 393.079 1.715 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470221489 532083495 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GDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000604764616 532098764 /nfs/dbraw/zinc/09/87/64/532098764.db2.gz XHLODZDTPPYFKR-GJZGRUSLSA-N 1 0 388.555 1.772 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)[C@@H]2C1 ZINC000272432822 532098939 /nfs/dbraw/zinc/09/89/39/532098939.db2.gz JNGJZDTURZEWGI-DZGCQCFKSA-N 1 0 385.917 1.561 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000285652394 532102045 /nfs/dbraw/zinc/10/20/45/532102045.db2.gz ZSHZPDIEZPVLFY-JKSUJKDBSA-N 1 0 396.333 1.840 20 0 GDADRO C[NH+]1CCC(CCNC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)CC1 ZINC000285838729 532116141 /nfs/dbraw/zinc/11/61/41/532116141.db2.gz GHFLEZGYDRCLQB-CQSZACIVSA-N 1 0 382.555 1.608 20 0 GDADRO CCCS(=O)(=O)NCc1ccc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000425190717 532126034 /nfs/dbraw/zinc/12/60/34/532126034.db2.gz VWDOOZQHAPULAN-UHFFFAOYSA-N 1 0 391.559 1.135 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C[NH+]1CCCC1 ZINC000330506679 532126404 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GDADRO COC(=O)[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1c1ccc(Br)cc1 ZINC000425349782 532136419 /nfs/dbraw/zinc/13/64/19/532136419.db2.gz QJVBUIGYDDGITI-LSDHHAIUSA-N 1 0 379.258 1.966 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CC[NH3+])sc1Br ZINC000286192745 532136461 /nfs/dbraw/zinc/13/64/61/532136461.db2.gz RVKULQADDPDBSY-QMMMGPOBSA-N 1 0 396.332 1.502 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425407966 532137591 /nfs/dbraw/zinc/13/75/91/532137591.db2.gz WGZHANNMVVFHOK-SWLSCSKDSA-N 1 0 397.317 1.299 20 0 GDADRO Cc1ncc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)s1 ZINC000273454196 532151437 /nfs/dbraw/zinc/15/14/37/532151437.db2.gz ABUQOEIJJGVNOZ-INIZCTEOSA-N 1 0 381.523 1.887 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)s1 ZINC000273523161 532154179 /nfs/dbraw/zinc/15/41/79/532154179.db2.gz OSJJVFUTUFNUKV-CYBMUJFWSA-N 1 0 387.571 1.778 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000273526672 532154719 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390.242 1.592 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCC(c3cccc(Br)c3)CC2)C[C@H]1[NH3+] ZINC000332165058 532167884 /nfs/dbraw/zinc/16/78/84/532167884.db2.gz UJUTZLBNHFEXFW-BLLLJJGKSA-N 1 0 394.313 1.961 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000332195139 532169850 /nfs/dbraw/zinc/16/98/50/532169850.db2.gz YSMHAIZBYLSZES-KBPBESRZSA-N 1 0 383.539 1.575 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000332200269 532170557 /nfs/dbraw/zinc/17/05/57/532170557.db2.gz WZDRSMCGXAERCQ-SNVBAGLBSA-N 1 0 384.249 1.280 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)s1 ZINC000273545002 532155791 /nfs/dbraw/zinc/15/57/91/532155791.db2.gz UREPQOIPQALWBY-UHFFFAOYSA-N 1 0 390.527 1.896 20 0 GDADRO CS[C@@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000273539747 532155808 /nfs/dbraw/zinc/15/58/08/532155808.db2.gz SVTJEKGPXMHZTP-NWDGAFQWSA-N 1 0 375.541 1.047 20 0 GDADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000286509670 532155897 /nfs/dbraw/zinc/15/58/97/532155897.db2.gz AIYVGVLODXDQAI-LBPRGKRZSA-N 1 0 375.560 1.681 20 0 GDADRO Cn1ncc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1Br ZINC000273590392 532158467 /nfs/dbraw/zinc/15/84/67/532158467.db2.gz HDCUXSPGFGNVRX-LBPRGKRZSA-N 1 0 393.289 1.970 20 0 GDADRO Cc1oc(Br)cc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000332090009 532163023 /nfs/dbraw/zinc/16/30/23/532163023.db2.gz LOVUHBBAFRTWET-CYBMUJFWSA-N 1 0 384.274 1.729 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2=O)ccc1Br ZINC000332091911 532163758 /nfs/dbraw/zinc/16/37/58/532163758.db2.gz AJLZOBQXARCXBU-LALPHHSUSA-N 1 0 380.286 1.916 20 0 GDADRO C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)[C@@H]1CCCC[C@H]1O ZINC000426197901 532164812 /nfs/dbraw/zinc/16/48/12/532164812.db2.gz FQEMHGARJKXNCK-HUUCEWRRSA-N 1 0 398.301 1.739 20 0 GDADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000274023896 532181816 /nfs/dbraw/zinc/18/18/16/532181816.db2.gz WIJOYLXDFFBGMF-UHFFFAOYSA-N 1 0 384.932 1.345 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000286889695 532183610 /nfs/dbraw/zinc/18/36/10/532183610.db2.gz GBUCVPOXJHNRKE-LBPRGKRZSA-N 1 0 388.921 1.202 20 0 GDADRO O=C(CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Nc1ccccc1Br ZINC000375814598 532184762 /nfs/dbraw/zinc/18/47/62/532184762.db2.gz NFVNWZYPMGLGEY-HOTGVXAUSA-N 1 0 382.302 1.919 20 0 GDADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000375809879 532184853 /nfs/dbraw/zinc/18/48/53/532184853.db2.gz JPXNQHIDLONUKX-INIZCTEOSA-N 1 0 382.302 1.772 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1[NH+](C)C ZINC000273799625 532171193 /nfs/dbraw/zinc/17/11/93/532171193.db2.gz ZPBNGSVAWUWCHB-LSDHHAIUSA-N 1 0 386.543 1.446 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000375619923 532173051 /nfs/dbraw/zinc/17/30/51/532173051.db2.gz HFWXDGLMKZVLMX-CQSZACIVSA-N 1 0 389.543 1.649 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C[C@@H]1C[NH3+] ZINC000332250730 532174631 /nfs/dbraw/zinc/17/46/31/532174631.db2.gz LQARLKLARIMYQL-JQWIXIFHSA-N 1 0 398.276 1.921 20 0 GDADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000332258807 532175623 /nfs/dbraw/zinc/17/56/23/532175623.db2.gz DBTJVAQSKIEZDK-IUCAKERBSA-N 1 0 388.212 1.734 20 0 GDADRO CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCCC[N@H+](C)CCOC ZINC000273889255 532175739 /nfs/dbraw/zinc/17/57/39/532175739.db2.gz RHOHXQKHPONBRA-UHFFFAOYSA-N 1 0 375.466 1.709 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000332552614 532194297 /nfs/dbraw/zinc/19/42/97/532194297.db2.gz KQVXNHZOIAQGCN-JQWIXIFHSA-N 1 0 399.232 1.440 20 0 GDADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332544693 532194661 /nfs/dbraw/zinc/19/46/61/532194661.db2.gz FQLFUBXYGPMELP-PRHODGIISA-N 1 0 388.212 1.876 20 0 GDADRO O=C(Nc1ccc(I)cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332574787 532196675 /nfs/dbraw/zinc/19/66/75/532196675.db2.gz XXDAUIOSVTZNCF-MNOVXSKESA-N 1 0 399.232 1.298 20 0 GDADRO O=C(CNC(=O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1Br ZINC000428056323 532196895 /nfs/dbraw/zinc/19/68/95/532196895.db2.gz UINRJZYMZMLMPF-JSGCOSHPSA-N 1 0 395.301 1.188 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000332589516 532198463 /nfs/dbraw/zinc/19/84/63/532198463.db2.gz JDESFRHIICSEHE-MFKMUULPSA-N 1 0 381.274 1.786 20 0 GDADRO C[C@@H]1[C@H](C)N(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[N@H+]1C ZINC000332623542 532200455 /nfs/dbraw/zinc/20/04/55/532200455.db2.gz SRXBGKDYCVRLNY-NEPJUHHUSA-N 1 0 393.285 1.710 20 0 GDADRO Cc1nsc(N2CCN(S(=O)(=O)c3ccc(C[NH+](C)C)cc3)CC2)n1 ZINC000332435636 532186072 /nfs/dbraw/zinc/18/60/72/532186072.db2.gz GVONKTDXDCZPIY-UHFFFAOYSA-N 1 0 381.527 1.419 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)CC[NH2+]1 ZINC000332433583 532186132 /nfs/dbraw/zinc/18/61/32/532186132.db2.gz ACSAPWHFMJDAKL-DGCLKSJQSA-N 1 0 380.286 1.591 20 0 GDADRO CN1C(=O)C[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000375965001 532189707 /nfs/dbraw/zinc/18/97/07/532189707.db2.gz ZGOYMILIOSBNGU-PVUWLOKVSA-N 1 0 385.917 1.483 20 0 GDADRO Cn1ccnc1Sc1ncc(C(=O)NCCN2CC[NH2+]CC2)cc1Cl ZINC000428644749 532213501 /nfs/dbraw/zinc/21/35/01/532213501.db2.gz AEVNLXUKHZDMCC-UHFFFAOYSA-N 1 0 380.905 1.255 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1nccn2c(Br)cnc12 ZINC000274499421 532214649 /nfs/dbraw/zinc/21/46/49/532214649.db2.gz UNBWIIQRLVWZAD-GFCCVEGCSA-N 1 0 395.305 1.248 20 0 GDADRO O=S1(=O)CCN(c2cc(N3CCSCC3)ncn2)CC12CCCCC2 ZINC000332998673 532214878 /nfs/dbraw/zinc/21/48/78/532214878.db2.gz CMAQZKBHLQAJKG-UHFFFAOYSA-N 1 0 382.555 1.968 20 0 GDADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000333097056 532219194 /nfs/dbraw/zinc/21/91/94/532219194.db2.gz BWRPZZGAHHUUSE-JTQLQIEISA-N 1 0 375.288 1.614 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000274552774 532218081 /nfs/dbraw/zinc/21/80/81/532218081.db2.gz DTLFQLLAYSXTFE-JTQLQIEISA-N 1 0 389.681 1.989 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCC([NH3+])CC3)C2=O)ccc1Br ZINC000332654495 532204425 /nfs/dbraw/zinc/20/44/25/532204425.db2.gz KVVGQHHQWQFXQH-OAHLLOKOSA-N 1 0 395.301 1.996 20 0 GDADRO C[NH2+]C1CCN(C(=O)c2n[nH]c3ccc(I)cc32)CC1 ZINC000429392785 532227586 /nfs/dbraw/zinc/22/75/86/532227586.db2.gz HKXBWNQKLXBSEV-UHFFFAOYSA-N 1 0 384.221 1.992 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000429442947 532228517 /nfs/dbraw/zinc/22/85/17/532228517.db2.gz LXUJVTNYFDEGOL-CQSZACIVSA-N 1 0 394.310 1.998 20 0 GDADRO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000429474398 532229534 /nfs/dbraw/zinc/22/95/34/532229534.db2.gz YMXNVMWHTPCFFH-GXTWGEPZSA-N 1 0 378.441 1.374 20 0 GDADRO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000429474406 532230119 /nfs/dbraw/zinc/23/01/19/532230119.db2.gz YMXNVMWHTPCFFH-TZMCWYRMSA-N 1 0 378.441 1.374 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000333331653 532230212 /nfs/dbraw/zinc/23/02/12/532230212.db2.gz OKSDGTWQPIWKFR-YPMHNXCESA-N 1 0 398.305 1.800 20 0 GDADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1Cl ZINC000429727313 532232569 /nfs/dbraw/zinc/23/25/69/532232569.db2.gz WOLOPFNSPXWWEZ-MAZHCROVSA-N 1 0 387.933 1.967 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CSCCS1)c1cccc(F)c1 ZINC000287677537 532233585 /nfs/dbraw/zinc/23/35/85/532233585.db2.gz QLRXXQHEDBCHRD-GJZGRUSLSA-N 1 0 385.530 1.509 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3nc4c(s3)CSCC4)CC[C@H]21 ZINC000376943562 532234905 /nfs/dbraw/zinc/23/49/05/532234905.db2.gz AGPQOEVFGLINCQ-DGCLKSJQSA-N 1 0 380.539 1.814 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000429018621 532221652 /nfs/dbraw/zinc/22/16/52/532221652.db2.gz JEJXXLKIFQDGMW-RYUDHWBXSA-N 1 0 398.301 1.770 20 0 GDADRO C[NH2+]CCNC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000429104028 532222518 /nfs/dbraw/zinc/22/25/18/532222518.db2.gz MVGRNVNDLVXFTM-NSHDSACASA-N 1 0 384.274 1.252 20 0 GDADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000287568593 532224423 /nfs/dbraw/zinc/22/44/23/532224423.db2.gz BSDARTMHWDLPLN-KBPBESRZSA-N 1 0 386.543 1.295 20 0 GDADRO C[C@H]1CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[C@H]1[NH3+] ZINC000429176341 532225035 /nfs/dbraw/zinc/22/50/35/532225035.db2.gz NVLVSLJCJSXOTB-TVQRCGJNSA-N 1 0 380.242 1.241 20 0 GDADRO O=S(=O)(c1cccc(Br)c1F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000376723808 532226295 /nfs/dbraw/zinc/22/62/95/532226295.db2.gz PIKOOBGBGZDSLR-LLVKDONJSA-N 1 0 392.294 1.256 20 0 GDADRO CC[NH+](CC)CCCNC(=O)C(=O)NCc1ccsc1Br ZINC000287766085 532240204 /nfs/dbraw/zinc/24/02/04/532240204.db2.gz XPJXWXADOGGLPK-UHFFFAOYSA-N 1 0 376.320 1.975 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000333640581 532242607 /nfs/dbraw/zinc/24/26/07/532242607.db2.gz ICOJGDVVPCFUAT-KCPJHIHWSA-N 1 0 395.301 1.630 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CC[NH2+]C3)C2=O)ccc1Br ZINC000333677006 532243793 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NC(=O)[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(-c2nn[nH]n2)cc1 ZINC000737734731 599211137 /nfs/dbraw/zinc/21/11/37/599211137.db2.gz APWJGOGZPCKMHP-QGZVFWFLSA-N 1 0 379.399 1.846 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821161150 599213932 /nfs/dbraw/zinc/21/39/32/599213932.db2.gz VKVGUBCWQAEVFB-LLVKDONJSA-N 1 0 391.863 1.259 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821160958 599214080 /nfs/dbraw/zinc/21/40/80/599214080.db2.gz SARLEWKAYJYPML-QAPCUYQASA-N 1 0 383.500 1.636 20 0 GDADRO Cc1c(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cccc1-c1nn[nH]n1 ZINC000822053614 607272372 /nfs/dbraw/zinc/27/23/72/607272372.db2.gz PFOIABPSGMFILY-ZDUSSCGKSA-N 1 0 385.472 1.494 20 0 GDADRO Cc1c(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)cccc1-c1nn[nH]n1 ZINC000822052306 607278579 /nfs/dbraw/zinc/27/85/79/607278579.db2.gz BMGRODJQIHZHCY-UHFFFAOYSA-N 1 0 387.488 1.739 20 0 GDADRO Cc1c(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cccc1-c1nn[nH]n1 ZINC000822088882 607289198 /nfs/dbraw/zinc/28/91/98/607289198.db2.gz AWBBSBWYBSKVHL-QGZVFWFLSA-N 1 0 386.504 1.569 20 0 GDADRO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820261351 599259474 /nfs/dbraw/zinc/25/94/74/599259474.db2.gz NGSSRXJOCWUPBE-LSDHHAIUSA-N 1 0 386.504 1.110 20 0 GDADRO O=C(CCCC(=O)N1CC[C@H]([NH+]2CCCC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822955472 607300801 /nfs/dbraw/zinc/30/08/01/607300801.db2.gz WJISDQHKUCARNR-HNNXBMFYSA-N 1 0 397.483 1.672 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1C ZINC000736458205 599282899 /nfs/dbraw/zinc/28/28/99/599282899.db2.gz XEPRFAICLCRCGK-INIZCTEOSA-N 1 0 399.499 1.884 20 0 GDADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736295532 599288784 /nfs/dbraw/zinc/28/87/84/599288784.db2.gz VHVIAFQGGCHVBA-BBRMVZONSA-N 1 0 380.456 1.975 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821626846 599291630 /nfs/dbraw/zinc/29/16/30/599291630.db2.gz BDBRNRLLEVFCHP-LLVKDONJSA-N 1 0 398.393 1.253 20 0 GDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823149867 607324479 /nfs/dbraw/zinc/32/44/79/607324479.db2.gz IUFGHSWAUWXCIC-GFCCVEGCSA-N 1 0 378.383 1.128 20 0 GDADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000821099452 607337440 /nfs/dbraw/zinc/33/74/40/607337440.db2.gz ISQUBLSVWAMWQS-UHFFFAOYSA-N 1 0 391.451 1.573 20 0 GDADRO CCCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736411583 598257462 /nfs/dbraw/zinc/25/74/62/598257462.db2.gz KTOBTZUBBNSQQT-GFCCVEGCSA-N 1 0 391.501 1.638 20 0 GDADRO CC(C)(C)OC[C@H](O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735640039 598261696 /nfs/dbraw/zinc/26/16/96/598261696.db2.gz VMKYJXUHJJIJGN-OAHLLOKOSA-N 1 0 375.473 1.886 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000736637079 598263679 /nfs/dbraw/zinc/26/36/79/598263679.db2.gz ODUAQOIBGQDGJZ-ZIAGYGMSSA-N 1 0 387.444 1.250 20 0 GDADRO CC(C)[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)[NH+]1CCC(C)CC1 ZINC000736274544 598265210 /nfs/dbraw/zinc/26/52/10/598265210.db2.gz ABYIJINXGWMWBS-MRXNPFEDSA-N 1 0 393.517 1.297 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738064464 598269116 /nfs/dbraw/zinc/26/91/16/598269116.db2.gz BDQGYDDXJCKFIS-UHFFFAOYSA-N 1 0 399.499 1.905 20 0 GDADRO CC[NH+]1CCN(CCC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000736567655 598284971 /nfs/dbraw/zinc/28/49/71/598284971.db2.gz CVVSEHGBSHVEMM-UHFFFAOYSA-N 1 0 383.500 1.385 20 0 GDADRO CCCC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736412807 598300203 /nfs/dbraw/zinc/30/02/03/598300203.db2.gz QGRVZMRCWLPZEJ-OAHLLOKOSA-N 1 0 399.499 1.824 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C[C@H](C)O1 ZINC000736284609 598317280 /nfs/dbraw/zinc/31/72/80/598317280.db2.gz BTVGWXBISVYIGK-BETUJISGSA-N 1 0 391.451 1.304 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736264897 598325144 /nfs/dbraw/zinc/32/51/44/598325144.db2.gz HKHXQBZDZNYUFQ-CHWSQXEVSA-N 1 0 375.452 1.925 20 0 GDADRO C[N@H+](CC1CCCC1)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736795058 598335204 /nfs/dbraw/zinc/33/52/04/598335204.db2.gz VTTYTLWZRIRFTR-UHFFFAOYSA-N 1 0 383.456 1.710 20 0 GDADRO CC[NH+]1CCN(Cc2ccc(CNc3nccnc3-c3nn[nH]n3)cc2)CC1 ZINC000736570110 598344360 /nfs/dbraw/zinc/34/43/60/598344360.db2.gz VYNVMMGHJMIQIV-UHFFFAOYSA-N 1 0 379.472 1.406 20 0 GDADRO CCN1CCN(C2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000736569546 598348769 /nfs/dbraw/zinc/34/87/69/598348769.db2.gz JGLXMXBPYQOBSS-UHFFFAOYSA-N 1 0 385.472 1.467 20 0 GDADRO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)c1 ZINC000737448188 598351259 /nfs/dbraw/zinc/35/12/59/598351259.db2.gz NGLJSIOWXPCSIN-LLVKDONJSA-N 1 0 386.485 1.539 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C1 ZINC000737008853 598363149 /nfs/dbraw/zinc/36/31/49/598363149.db2.gz VVICOZBBHAETIU-CQSZACIVSA-N 1 0 399.455 1.399 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(-c2nn[nH]n2)c1C ZINC000737547330 598368393 /nfs/dbraw/zinc/36/83/93/598368393.db2.gz JYXMNEPHVKKMJO-GXTWGEPZSA-N 1 0 399.459 1.407 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cn3cncn3)C2)c(-c2nn[nH]n2)c1C ZINC000737547333 598369019 /nfs/dbraw/zinc/36/90/19/598369019.db2.gz JYXMNEPHVKKMJO-JSGCOSHPSA-N 1 0 399.459 1.407 20 0 GDADRO Fc1ccc(N2CC[C@@H]([NH2+]Cc3cnc4c(-c5nn[nH]n5)cnn4c3)C2)c(F)c1 ZINC000737658017 598390422 /nfs/dbraw/zinc/39/04/22/598390422.db2.gz BRQNMNJAQTVEJZ-CYBMUJFWSA-N 1 0 397.393 1.556 20 0 GDADRO NC(=O)c1cccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737760703 598467295 /nfs/dbraw/zinc/46/72/95/598467295.db2.gz JXSQINKXBJODTF-UHFFFAOYSA-N 1 0 377.452 1.724 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000737033472 598509875 /nfs/dbraw/zinc/50/98/75/598509875.db2.gz PUYFVVYYGXZCJW-HNNXBMFYSA-N 1 0 388.472 1.587 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736855955 598516109 /nfs/dbraw/zinc/51/61/09/598516109.db2.gz JMIIZDBJCWTZLI-HNNXBMFYSA-N 1 0 384.488 1.040 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736855373 598516414 /nfs/dbraw/zinc/51/64/14/598516414.db2.gz GHWDTIGSNJVDHH-OAHLLOKOSA-N 1 0 399.499 1.761 20 0 GDADRO Fc1ccccc1CSCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737669202 598519461 /nfs/dbraw/zinc/51/94/61/598519461.db2.gz LWKOICONDVITJJ-LBPRGKRZSA-N 1 0 388.476 1.767 20 0 GDADRO C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCc2ccccc21 ZINC000736024554 598520188 /nfs/dbraw/zinc/52/01/88/598520188.db2.gz ALMYBDNVVZZHEJ-KGLIPLIRSA-N 1 0 379.472 1.146 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCc2ccccc2C1 ZINC000736026381 598520194 /nfs/dbraw/zinc/52/01/94/598520194.db2.gz SCKJFEFMYHIBSK-LSDHHAIUSA-N 1 0 393.499 1.141 20 0 GDADRO CN1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)Cc2ccccc21 ZINC000736863026 598526226 /nfs/dbraw/zinc/52/62/26/598526226.db2.gz HDVJRFSSXPEMOB-KRWDZBQOSA-N 1 0 380.452 1.558 20 0 GDADRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735984608 598527620 /nfs/dbraw/zinc/52/76/20/598527620.db2.gz BRJQRERVXUFNJG-TZMCWYRMSA-N 1 0 396.455 1.445 20 0 GDADRO O=S1(=O)CC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000738356758 598560793 /nfs/dbraw/zinc/56/07/93/598560793.db2.gz JIAUUBMVTKIJJQ-MRXNPFEDSA-N 1 0 399.476 1.722 20 0 GDADRO CCCC[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000736456213 598580288 /nfs/dbraw/zinc/58/02/88/598580288.db2.gz FPSZFIKIEWYJKS-OAHLLOKOSA-N 1 0 388.497 1.909 20 0 GDADRO CCCNC(=O)CCC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736482261 598606450 /nfs/dbraw/zinc/60/64/50/598606450.db2.gz UYOHRFQPAKMIAH-UHFFFAOYSA-N 1 0 387.488 1.063 20 0 GDADRO O=C(CC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1-c1nn[nH]n1 ZINC000737844864 598618434 /nfs/dbraw/zinc/61/84/34/598618434.db2.gz WUQXKCHYWPMZEB-GXTWGEPZSA-N 1 0 384.362 1.583 20 0 GDADRO O=C(CC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843631 598618468 /nfs/dbraw/zinc/61/84/68/598618468.db2.gz LPVTVJICWWVQCT-OCCSQVGLSA-N 1 0 384.362 1.583 20 0 GDADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000735619060 598639708 /nfs/dbraw/zinc/63/97/08/598639708.db2.gz RXBFLBDSUBIQTL-UHFFFAOYSA-N 1 0 389.435 1.277 20 0 GDADRO O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000738354643 598693465 /nfs/dbraw/zinc/69/34/65/598693465.db2.gz IWTOVYMCKINCQA-LBPRGKRZSA-N 1 0 380.449 1.255 20 0 GDADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736473136 598694139 /nfs/dbraw/zinc/69/41/39/598694139.db2.gz HLMVZCKNLLBTNT-UHFFFAOYSA-N 1 0 384.481 1.796 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736980414 598700593 /nfs/dbraw/zinc/70/05/93/598700593.db2.gz FEIUMFHFIGEYKP-UHFFFAOYSA-N 1 0 390.513 1.576 20 0 GDADRO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736722503 598763394 /nfs/dbraw/zinc/76/33/94/598763394.db2.gz PINGPBZBLGBULA-HZPDHXFCSA-N 1 0 398.471 1.097 20 0 GDADRO O=C(CCCC[NH+]1CCCC1)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000737827113 598819241 /nfs/dbraw/zinc/81/92/41/598819241.db2.gz WPGDULGMKCZLBN-UHFFFAOYSA-N 1 0 384.488 1.176 20 0 GDADRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736412137 599301841 /nfs/dbraw/zinc/30/18/41/599301841.db2.gz UCEAQUKSCGNOFF-JLSDUUJJSA-N 1 0 397.483 1.209 20 0 GDADRO CC[NH+]1CCN(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)CC1 ZINC000736569208 599318848 /nfs/dbraw/zinc/31/88/48/599318848.db2.gz PLDCLPSEDJUPCH-UHFFFAOYSA-N 1 0 387.488 1.620 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000821624912 599343225 /nfs/dbraw/zinc/34/32/25/599343225.db2.gz AGXZGUWEMICGNA-UONOGXRCSA-N 1 0 396.904 1.767 20 0 GDADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000820657414 599346605 /nfs/dbraw/zinc/34/66/05/599346605.db2.gz KPDKVHCNISJOAM-GHMZBOCLSA-N 1 0 384.893 1.623 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2ccccc2-c2nn[nH]n2)C1 ZINC000820092706 599349201 /nfs/dbraw/zinc/34/92/01/599349201.db2.gz NYALHVYYOHAYHE-CQSZACIVSA-N 1 0 390.513 1.432 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000821240778 599356782 /nfs/dbraw/zinc/35/67/82/599356782.db2.gz JACZZDNKEROCLC-UHFFFAOYSA-N 1 0 382.465 1.406 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000281919762 599370754 /nfs/dbraw/zinc/37/07/54/599370754.db2.gz KPHAHQAVXJLCHY-GFCCVEGCSA-N 1 0 398.920 1.873 20 0 GDADRO O=C(C=Cc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000737801373 599391239 /nfs/dbraw/zinc/39/12/39/599391239.db2.gz TUQMSILTHUOKSA-AWFCHZOYSA-N 1 0 382.468 1.497 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000736532300 599429736 /nfs/dbraw/zinc/42/97/36/599429736.db2.gz ADIWVBJAMUDZNE-UHFFFAOYSA-N 1 0 394.483 1.405 20 0 GDADRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)cc1-c1nn[nH]n1 ZINC000821810075 599431207 /nfs/dbraw/zinc/43/12/07/599431207.db2.gz WEXVWTADTPAPPA-GFCCVEGCSA-N 1 0 391.378 1.683 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821623507 599452319 /nfs/dbraw/zinc/45/23/19/599452319.db2.gz MERWRRSBUASKAR-DLBZAZTESA-N 1 0 385.472 1.514 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1ccc(Cl)cc1 ZINC000820276212 599462190 /nfs/dbraw/zinc/46/21/90/599462190.db2.gz URVMNXSXIGRXSH-NWDGAFQWSA-N 1 0 388.863 1.815 20 0 GDADRO COC(=O)C1CC[NH+](CCCNc2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000821654930 599477838 /nfs/dbraw/zinc/47/78/38/599477838.db2.gz AVOFZMJODSJAMB-UHFFFAOYSA-N 1 0 395.467 1.524 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000823359769 607381320 /nfs/dbraw/zinc/38/13/20/607381320.db2.gz SHJGHFSDGAMAEK-UHFFFAOYSA-N 1 0 386.456 1.059 20 0 GDADRO O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737969642 599489281 /nfs/dbraw/zinc/48/92/81/599489281.db2.gz QLPZAVVORDJYEV-UHFFFAOYSA-N 1 0 394.414 1.102 20 0 GDADRO CCc1cccc(NC(=O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736700583 599490405 /nfs/dbraw/zinc/49/04/05/599490405.db2.gz VBNSHFPLGKTZRL-UHFFFAOYSA-N 1 0 376.424 1.805 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)c2c1 ZINC000822195336 599528995 /nfs/dbraw/zinc/52/89/95/599528995.db2.gz PBIQCWHAPWGJJG-LSDHHAIUSA-N 1 0 381.484 1.975 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000821575894 599546272 /nfs/dbraw/zinc/54/62/72/599546272.db2.gz UGUDNGBSVSRKJC-UHFFFAOYSA-N 1 0 394.483 1.191 20 0 GDADRO CC[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000820931640 599561594 /nfs/dbraw/zinc/56/15/94/599561594.db2.gz HWWXAXPYEDJEAO-LBPRGKRZSA-N 1 0 389.410 1.586 20 0 GDADRO C[C@H]1CCCCC[N@@H+]1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736265799 599580417 /nfs/dbraw/zinc/58/04/17/599580417.db2.gz DBFKVPKHEUIRMN-AWEZNQCLSA-N 1 0 383.456 1.853 20 0 GDADRO C[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@H](CCO)c1ccccc1 ZINC000821595456 599585466 /nfs/dbraw/zinc/58/54/66/599585466.db2.gz XQJSHXOKMWREIV-PKOBYXMFSA-N 1 0 383.452 1.662 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1-c1nn[nH]n1 ZINC000822312693 599597383 /nfs/dbraw/zinc/59/73/83/599597383.db2.gz IMPNFIFPOGDVHF-INIZCTEOSA-N 1 0 393.451 1.533 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000822314988 599601399 /nfs/dbraw/zinc/60/13/99/599601399.db2.gz XNZKZPXREFBJDU-OAHLLOKOSA-N 1 0 385.472 1.350 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1-c1nn[nH]n1 ZINC000822319373 599603678 /nfs/dbraw/zinc/60/36/78/599603678.db2.gz PQFMVJQRAXFBHK-CYBMUJFWSA-N 1 0 385.472 1.352 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000820716788 599615207 /nfs/dbraw/zinc/61/52/07/599615207.db2.gz LEQDVCVTEMETAG-SNVBAGLBSA-N 1 0 377.836 1.059 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000821161065 599644223 /nfs/dbraw/zinc/64/42/23/599644223.db2.gz UJWMSWQCDFSNES-GFCCVEGCSA-N 1 0 377.880 1.732 20 0 GDADRO O=C(NCCSCc1ccccc1-c1nn[nH]n1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000823219243 599666252 /nfs/dbraw/zinc/66/62/52/599666252.db2.gz IGLGIZFWARYUMF-INIZCTEOSA-N 1 0 399.524 1.756 20 0 GDADRO C[C@@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[NH+]1CCC(C)CC1 ZINC000820723297 599673150 /nfs/dbraw/zinc/67/31/50/599673150.db2.gz ZOUUIVKLSVOCHH-ZDUSSCGKSA-N 1 0 375.452 1.925 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821268107 599675803 /nfs/dbraw/zinc/67/58/03/599675803.db2.gz STVDZMVSMMFUKV-MRXNPFEDSA-N 1 0 399.499 1.904 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@@H+]1C ZINC000820658195 599676212 /nfs/dbraw/zinc/67/62/12/599676212.db2.gz QZGQZSGJTCGZJQ-GDBMZVCRSA-N 1 0 399.499 1.902 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000821689881 599676634 /nfs/dbraw/zinc/67/66/34/599676634.db2.gz QGZNXRORVDCURB-PBHICJAKSA-N 1 0 387.488 1.507 20 0 GDADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCOC1 ZINC000820341706 599676791 /nfs/dbraw/zinc/67/67/91/599676791.db2.gz RCXZJBWTAREXSF-RHSMWYFYSA-N 1 0 387.488 1.365 20 0 GDADRO C[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1)C[NH+]1CCN(C)CC1 ZINC000820262762 599676918 /nfs/dbraw/zinc/67/69/18/599676918.db2.gz YWDMGTFIRVHFFE-HUUCEWRRSA-N 1 0 386.504 1.110 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000736676415 599962558 /nfs/dbraw/zinc/96/25/58/599962558.db2.gz HRKPQWNEJTXDQQ-CVEARBPZSA-N 1 0 391.512 1.414 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC000737358545 600122113 /nfs/dbraw/zinc/12/21/13/600122113.db2.gz HEGAJWHAMNYQIT-KRWDZBQOSA-N 1 0 375.473 1.061 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CCSC1 ZINC000825851050 607459031 /nfs/dbraw/zinc/45/90/31/607459031.db2.gz SWXIDKMAJYIXFZ-QGZVFWFLSA-N 1 0 387.513 1.592 20 0 GDADRO C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000827379397 601084678 /nfs/dbraw/zinc/08/46/78/601084678.db2.gz HRAPVNCZHYBPLF-QGZVFWFLSA-N 1 0 388.512 1.055 20 0 GDADRO COC(=O)[C@@H]1CC12CC[NH+](CCOCC[NH+]1CCC3(C[C@H]3C(=O)[O-])CC1)CC2 ZINC000831100699 601381357 /nfs/dbraw/zinc/38/13/57/601381357.db2.gz PJERXJNOFTWEMD-IRXDYDNUSA-N 1 0 394.512 1.465 20 0 GDADRO COCc1cccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000826164744 607512317 /nfs/dbraw/zinc/51/23/17/607512317.db2.gz OBWOJNQUGAPIFI-AWEZNQCLSA-N 1 0 380.456 1.514 20 0 GDADRO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@@H]1C(=O)[O-] ZINC000828438561 601536740 /nfs/dbraw/zinc/53/67/40/601536740.db2.gz DYIQISKMQCROLW-PBHICJAKSA-N 1 0 377.510 1.826 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1-c1nn[nH]n1 ZINC000826298992 607516021 /nfs/dbraw/zinc/51/60/21/607516021.db2.gz NLSTXSMVVLCSSW-HNNXBMFYSA-N 1 0 399.499 1.598 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)[C@H](C)C1 ZINC000825451454 607515354 /nfs/dbraw/zinc/51/53/54/607515354.db2.gz IKNUXSDCRNUVPQ-WBMJQRKESA-N 1 0 375.452 1.878 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000826183204 607519760 /nfs/dbraw/zinc/51/97/60/607519760.db2.gz IAGWUFVXWYWWOE-RVKKMQEKSA-N 1 0 386.500 1.949 20 0 GDADRO C[C@@H]1[C@H](C)N(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000528955820 649932053 /nfs/dbraw/zinc/93/20/53/649932053.db2.gz QDBYEXHFNLDCBB-MNOVXSKESA-N 1 0 377.869 1.308 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CCCC1 ZINC000825851780 607587091 /nfs/dbraw/zinc/58/70/91/607587091.db2.gz YEFBKDJDWNQHPY-UHFFFAOYSA-N 1 0 384.893 1.673 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](C)C1 ZINC000824946488 607588881 /nfs/dbraw/zinc/58/88/81/607588881.db2.gz JPXCFHNZSQFLFS-NWDGAFQWSA-N 1 0 398.920 1.919 20 0 GDADRO O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000832261633 603539054 /nfs/dbraw/zinc/53/90/54/603539054.db2.gz FRIXPCCTSNAJKH-HZPDHXFCSA-N 1 0 375.473 1.146 20 0 GDADRO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826330725 607638658 /nfs/dbraw/zinc/63/86/58/607638658.db2.gz FYCVRDMDXGTDBL-ROUUACIJSA-N 1 0 392.467 1.642 20 0 GDADRO CN1CCC(CNC(=O)C2(CNC(=O)[O-])CCCC2)([NH+]2CCCCC2)CC1 ZINC000828458529 603691190 /nfs/dbraw/zinc/69/11/90/603691190.db2.gz BGMQPKXGGMLMQX-UHFFFAOYSA-N 1 0 380.533 1.881 20 0 GDADRO CC(C)[NH+](CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)C(C)C ZINC000824288295 607658873 /nfs/dbraw/zinc/65/88/73/607658873.db2.gz CCKSAZMEPNHWTB-UHFFFAOYSA-N 1 0 384.481 1.793 20 0 GDADRO C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000828037110 603966468 /nfs/dbraw/zinc/96/64/68/603966468.db2.gz LSMXAQSNHJECLK-QGZVFWFLSA-N 1 0 376.501 1.749 20 0 GDADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000826134110 607663222 /nfs/dbraw/zinc/66/32/22/607663222.db2.gz SAHLIVBRCDDVKH-UHFFFAOYSA-N 1 0 386.456 1.180 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000826248049 607664981 /nfs/dbraw/zinc/66/49/81/607664981.db2.gz UZXWMJGQMKGQGI-UHFFFAOYSA-N 1 0 377.452 1.965 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000529513505 649947618 /nfs/dbraw/zinc/94/76/18/649947618.db2.gz RXWCSGRZQSBGQB-HZPDHXFCSA-N 1 0 385.917 1.455 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000826247976 607707645 /nfs/dbraw/zinc/70/76/45/607707645.db2.gz SFJFSXOTLJQLMI-SFHVURJKSA-N 1 0 392.463 1.324 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[NH+](CCC(=O)[O-])C[C@H]2C)C1 ZINC000833593064 605046124 /nfs/dbraw/zinc/04/61/24/605046124.db2.gz 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391.479 1.599 20 0 GDADRO C[N@@H+]1CCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C2(CCCCC2)C1 ZINC000821626964 606097716 /nfs/dbraw/zinc/09/77/16/606097716.db2.gz HIYRLGFOMZAIFF-UHFFFAOYSA-N 1 0 383.500 1.433 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596854 606098379 /nfs/dbraw/zinc/09/83/79/606098379.db2.gz WWPJNZTVAZRBMI-KRWDZBQOSA-N 1 0 383.500 1.147 20 0 GDADRO Cn1cc(C[C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cn1 ZINC000822674451 606113156 /nfs/dbraw/zinc/11/31/56/606113156.db2.gz ULJNMKYSUNJGFM-KBXCAEBGSA-N 1 0 392.467 1.270 20 0 GDADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000819865386 606113261 /nfs/dbraw/zinc/11/32/61/606113261.db2.gz DQZWFLACEABNOQ-MNOVXSKESA-N 1 0 391.863 1.435 20 0 GDADRO O=C(CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822964933 606114319 /nfs/dbraw/zinc/11/43/19/606114319.db2.gz UAORGJDPNKNLIA-LBPRGKRZSA-N 1 0 376.364 1.256 20 0 GDADRO 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CCC[N@H+](CC)CCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825307677 608064100 /nfs/dbraw/zinc/06/41/00/608064100.db2.gz LAHFRAROUJDBQY-QGZVFWFLSA-N 1 0 387.488 1.682 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000826432366 608076750 /nfs/dbraw/zinc/07/67/50/608076750.db2.gz YVANWDJUHRTFKL-RBUKOAKNSA-N 1 0 392.463 1.480 20 0 GDADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000826226823 608087956 /nfs/dbraw/zinc/08/79/56/608087956.db2.gz GZNHRCLNXUQCIK-RAIGVLPGSA-N 1 0 393.517 1.381 20 0 GDADRO CS[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000826227226 608088851 /nfs/dbraw/zinc/08/88/51/608088851.db2.gz NYSMFWLUYOAAME-NEPJUHHUSA-N 1 0 395.558 1.461 20 0 GDADRO CCC[C@H](C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1)[NH+](C)C ZINC000825226073 608121385 /nfs/dbraw/zinc/12/13/85/608121385.db2.gz YLCQIJWFFSEPPC-QGZVFWFLSA-N 1 0 399.499 1.774 20 0 GDADRO CCCn1c(C)nnc1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825353210 608122317 /nfs/dbraw/zinc/12/23/17/608122317.db2.gz SWFJXANSJOAOLS-UHFFFAOYSA-N 1 0 395.515 1.885 20 0 GDADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC3(COC(=O)N3)CC2)c1-c1nn[nH]n1 ZINC000826332365 608126773 /nfs/dbraw/zinc/12/67/73/608126773.db2.gz RLUMALHSEXNMLZ-UHFFFAOYSA-N 1 0 394.439 1.435 20 0 GDADRO CC1([C@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)OCCO1 ZINC000824818028 608132263 /nfs/dbraw/zinc/13/22/63/608132263.db2.gz QWPJEHPMJZAXAP-DOTOQJQBSA-N 1 0 398.467 1.447 20 0 GDADRO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824994214 608151071 /nfs/dbraw/zinc/15/10/71/608151071.db2.gz ULPYJIGZSOLLRU-DYVFJYSZSA-N 1 0 375.908 1.982 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826478832 608169595 /nfs/dbraw/zinc/16/95/95/608169595.db2.gz KHWDCBPJECIZDG-GOEBONIOSA-N 1 0 383.456 1.186 20 0 GDADRO CC[NH+](CC)Cc1ccccc1CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC000825416040 608215928 /nfs/dbraw/zinc/21/59/28/608215928.db2.gz GTXHOQAHJHEYEZ-UHFFFAOYSA-N 1 0 394.483 1.832 20 0 GDADRO CC[NH+](CC)Cc1ccc(CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000825418158 608215976 /nfs/dbraw/zinc/21/59/76/608215976.db2.gz XUJURWXEVFYRKQ-UHFFFAOYSA-N 1 0 394.483 1.832 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCC1=O ZINC000824865463 608219022 /nfs/dbraw/zinc/21/90/22/608219022.db2.gz IRPQUGAHCMIQEN-PBHICJAKSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H]1CN(c2ccc3cc(-c4nn[nH]n4)ccc3n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824999980 608234369 /nfs/dbraw/zinc/23/43/69/608234369.db2.gz LQTUKMHSEVBJQU-KXBFYZLASA-N 1 0 392.511 1.877 20 0 GDADRO CC(C)[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824289325 608253520 /nfs/dbraw/zinc/25/35/20/608253520.db2.gz ZODJAKXONJKDRB-SFHVURJKSA-N 1 0 384.484 1.715 20 0 GDADRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CCN1CC(F)F ZINC000825210865 608257106 /nfs/dbraw/zinc/25/71/06/608257106.db2.gz JVPBPQYDMYNATK-ZDUSSCGKSA-N 1 0 393.442 1.857 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000826090580 608284650 /nfs/dbraw/zinc/28/46/50/608284650.db2.gz JHALEGKCGNUWKY-NSHDSACASA-N 1 0 390.444 1.765 20 0 GDADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cc1-c1nn[nH]n1 ZINC000826202117 608286829 /nfs/dbraw/zinc/28/68/29/608286829.db2.gz OMAFLWMPKWLFIY-LBPRGKRZSA-N 1 0 377.412 1.702 20 0 GDADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC3(CNC(=O)C3)CC2)c1-c1nn[nH]n1 ZINC000826332141 608314768 /nfs/dbraw/zinc/31/47/68/608314768.db2.gz LCKAVNNPFVMQHS-UHFFFAOYSA-N 1 0 392.467 1.463 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)cccc1-c1nn[nH]n1 ZINC000826240916 608316819 /nfs/dbraw/zinc/31/68/19/608316819.db2.gz LHBVRRYMVLIJDQ-UHFFFAOYSA-N 1 0 399.499 1.694 20 0 GDADRO O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)NCC[NH+]1CCCCCC1 ZINC000826486181 608328017 /nfs/dbraw/zinc/32/80/17/608328017.db2.gz RXBPDZFZJYBVFK-UHFFFAOYSA-N 1 0 382.465 1.301 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CCO1 ZINC000825858975 608337227 /nfs/dbraw/zinc/33/72/27/608337227.db2.gz BPHSOFHMONUGDN-NSHDSACASA-N 1 0 399.377 1.680 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825855514 608338011 /nfs/dbraw/zinc/33/80/11/608338011.db2.gz GTVWNLBVQQICTO-KBPBESRZSA-N 1 0 382.465 1.298 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@@H]21 ZINC000826033977 608339267 /nfs/dbraw/zinc/33/92/67/608339267.db2.gz MSIWBZIDOULXQG-BBRMVZONSA-N 1 0 394.476 1.252 20 0 GDADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)CC1 ZINC000825859362 608342565 /nfs/dbraw/zinc/34/25/65/608342565.db2.gz FLNXYRKBDWYOGJ-UHFFFAOYSA-N 1 0 378.502 1.609 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000825854475 608371308 /nfs/dbraw/zinc/37/13/08/608371308.db2.gz BNZOJUFDDMINJD-UHFFFAOYSA-N 1 0 386.504 1.182 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000826168182 608373641 /nfs/dbraw/zinc/37/36/41/608373641.db2.gz FHVDZDPTICGDPP-QGZVFWFLSA-N 1 0 383.456 1.554 20 0 GDADRO CC(C)(O)C(C)(C)[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000824166933 608381697 /nfs/dbraw/zinc/38/16/97/608381697.db2.gz MPZXABSQQAFLON-UHFFFAOYSA-N 1 0 384.444 1.130 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000824564798 608425436 /nfs/dbraw/zinc/42/54/36/608425436.db2.gz VZMQHUVRVFRWIZ-CYBMUJFWSA-N 1 0 394.435 1.605 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000826389747 608436079 /nfs/dbraw/zinc/43/60/79/608436079.db2.gz HOIFSFGPJIWPKW-AWEZNQCLSA-N 1 0 375.864 1.439 20 0 GDADRO CC[C@@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccccc1OCC(=O)N(C)C ZINC000825149391 608456670 /nfs/dbraw/zinc/45/66/70/608456670.db2.gz XUSGXZXPGJPVPQ-MRXNPFEDSA-N 1 0 395.467 1.970 20 0 GDADRO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599710 608462627 /nfs/dbraw/zinc/46/26/27/608462627.db2.gz RGMMRCCWYTUADX-GFCCVEGCSA-N 1 0 388.453 1.244 20 0 GDADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCCC1 ZINC000824478903 608466059 /nfs/dbraw/zinc/46/60/59/608466059.db2.gz JSJKKUIGVBRSKQ-ZIAGYGMSSA-N 1 0 385.472 1.035 20 0 GDADRO NC(=O)CCC1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000826391142 608468152 /nfs/dbraw/zinc/46/81/52/608468152.db2.gz XXVIXXZUWWOMOM-UHFFFAOYSA-N 1 0 377.474 1.234 20 0 GDADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825476191 608468237 /nfs/dbraw/zinc/46/82/37/608468237.db2.gz BRKKLAJIRYTSLF-CYBMUJFWSA-N 1 0 393.451 1.906 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2F)cc1 ZINC000826090954 608473454 /nfs/dbraw/zinc/47/34/54/608473454.db2.gz RZBROIJOELEJAP-NSHDSACASA-N 1 0 390.444 1.765 20 0 GDADRO C[C@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000824626062 608478881 /nfs/dbraw/zinc/47/88/81/608478881.db2.gz LRHLJXHELFZREQ-LBPRGKRZSA-N 1 0 387.469 1.363 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824617868 608487452 /nfs/dbraw/zinc/48/74/52/608487452.db2.gz KKFPFCNHMCWGNH-CYBMUJFWSA-N 1 0 386.481 1.968 20 0 GDADRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826091155 608503927 /nfs/dbraw/zinc/50/39/27/608503927.db2.gz XCAHQEGQHYILHC-GOSISDBHSA-N 1 0 398.492 1.942 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824094468 608504705 /nfs/dbraw/zinc/50/47/05/608504705.db2.gz WFOILARGDNGMDF-HNNXBMFYSA-N 1 0 378.502 1.552 20 0 GDADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC000826165676 608523232 /nfs/dbraw/zinc/52/32/32/608523232.db2.gz FDZDPCZXYGGRGU-GOEBONIOSA-N 1 0 380.456 1.587 20 0 GDADRO CCOCCCNC(=O)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000825595249 608529713 /nfs/dbraw/zinc/52/97/13/608529713.db2.gz WEWWTQNGEQSOJQ-UHFFFAOYSA-N 1 0 378.502 1.683 20 0 GDADRO CC[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1cccc(S(N)(=O)=O)c1 ZINC000825139012 608578339 /nfs/dbraw/zinc/57/83/39/608578339.db2.gz AAYUGXPXHDCRKC-MRXNPFEDSA-N 1 0 390.444 1.894 20 0 GDADRO c1nc2cnccn2c1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826522094 608585232 /nfs/dbraw/zinc/58/52/32/608585232.db2.gz LWPRCJZVRYIMGH-UHFFFAOYSA-N 1 0 375.440 1.622 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CC[C@@H](C)C3)C[C@H]1O ZINC000824969818 608586040 /nfs/dbraw/zinc/58/60/40/608586040.db2.gz VBDOSXSFWDCJIC-NTZNESFSSA-N 1 0 390.513 1.694 20 0 GDADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824984807 608588549 /nfs/dbraw/zinc/58/85/49/608588549.db2.gz NVGDRZFDYDJGJQ-RYUDHWBXSA-N 1 0 389.529 1.770 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824967415 608594123 /nfs/dbraw/zinc/59/41/23/608594123.db2.gz JNXOBTJNNJCZAG-ZIAGYGMSSA-N 1 0 385.472 1.527 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000825460033 608605766 /nfs/dbraw/zinc/60/57/66/608605766.db2.gz QOTYXIHSQHEJRJ-OFLPRAFFSA-N 1 0 399.499 1.942 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000825326358 608638697 /nfs/dbraw/zinc/63/86/97/608638697.db2.gz BULBOGJMGFEKGH-JCYILVPMSA-N 1 0 399.499 1.942 20 0 GDADRO C[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1CCCN(c2cccnn2)C1 ZINC000825991643 608683802 /nfs/dbraw/zinc/68/38/02/608683802.db2.gz FIMZYADAFAGYMH-OAHLLOKOSA-N 1 0 390.455 1.405 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CC1=O ZINC000530576543 649978784 /nfs/dbraw/zinc/97/87/84/649978784.db2.gz DVEJKCRNASGBEG-KBMXLJTQSA-N 1 0 394.313 1.831 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000824999760 608840109 /nfs/dbraw/zinc/84/01/09/608840109.db2.gz JJYGRRORJKFPBW-OIISXLGYSA-N 1 0 376.468 1.971 20 0 GDADRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826363818 608843721 /nfs/dbraw/zinc/84/37/21/608843721.db2.gz CNHFCDQNLVWWSD-GUYCJALGSA-N 1 0 393.455 1.194 20 0 GDADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000826189042 608863795 /nfs/dbraw/zinc/86/37/95/608863795.db2.gz LYHCAOYQSXWRLR-SFHVURJKSA-N 1 0 393.451 1.837 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H]1CCc2ccccc21 ZINC000825001315 609139249 /nfs/dbraw/zinc/13/92/49/609139249.db2.gz ZBPSLLRFZNLYTE-HOCLYGCPSA-N 1 0 376.468 1.897 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547128 609143932 /nfs/dbraw/zinc/14/39/32/609143932.db2.gz MSLMHJFUFJAVGY-HOCLYGCPSA-N 1 0 389.479 1.063 20 0 GDADRO Cc1cc(C(=O)NCCC[N@@H+](C)C(C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258903 609148205 /nfs/dbraw/zinc/14/82/05/609148205.db2.gz AVWODSYCQOAQBH-UHFFFAOYSA-N 1 0 382.472 1.821 20 0 GDADRO C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826022969 609173530 /nfs/dbraw/zinc/17/35/30/609173530.db2.gz UMKTVWAMSPOZOO-QGZVFWFLSA-N 1 0 383.500 1.684 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824270792 609187420 /nfs/dbraw/zinc/18/74/20/609187420.db2.gz GZOVATUBVHBOFH-UHFFFAOYSA-N 1 0 378.502 1.407 20 0 GDADRO CC1(C)C[N@@H+](C2(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCCCC2)CCO1 ZINC000824807316 609209534 /nfs/dbraw/zinc/20/95/34/609209534.db2.gz IECZKMQXRLQICW-UHFFFAOYSA-N 1 0 387.488 1.738 20 0 GDADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825865773 609210682 /nfs/dbraw/zinc/21/06/82/609210682.db2.gz KIJNXGKBBVVEFA-SFHVURJKSA-N 1 0 386.500 1.871 20 0 GDADRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)n(C)n1 ZINC000826269377 609240997 /nfs/dbraw/zinc/24/09/97/609240997.db2.gz JRJOFHPUZMNGLX-WBMJQRKESA-N 1 0 398.446 1.894 20 0 GDADRO C[C@H](CCNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000824400953 609241975 /nfs/dbraw/zinc/24/19/75/609241975.db2.gz NDCGYZMLXFDVHN-DNVCBOLYSA-N 1 0 394.479 1.927 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000826340536 609286465 /nfs/dbraw/zinc/28/64/65/609286465.db2.gz BKXSYRGARQRRKR-LBPRGKRZSA-N 1 0 381.440 1.939 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000825458785 609299382 /nfs/dbraw/zinc/29/93/82/609299382.db2.gz GAHLPTYIFBJABI-GFCCVEGCSA-N 1 0 377.880 1.276 20 0 GDADRO CC(C)CN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824255419 609315733 /nfs/dbraw/zinc/31/57/33/609315733.db2.gz ISMALZMRXIZBAS-UHFFFAOYSA-N 1 0 395.533 1.063 20 0 GDADRO C[C@H](NC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)C1=CC[N@H+](C)CC1 ZINC000824487827 609316126 /nfs/dbraw/zinc/31/61/26/609316126.db2.gz CQARCGAWBNANSJ-KSSFIOAISA-N 1 0 397.483 1.600 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824640462 609317757 /nfs/dbraw/zinc/31/77/57/609317757.db2.gz JEFCJAFEXWGJLK-DZGCQCFKSA-N 1 0 390.513 1.798 20 0 GDADRO C[C@H](NC(=O)CNc1ccc(-c2nn[nH]n2)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824480486 609317873 /nfs/dbraw/zinc/31/78/73/609317873.db2.gz WQBNIZJJNINLQL-ZFWWWQNUSA-N 1 0 384.488 1.443 20 0 GDADRO Cn1cc(C[NH2+]CC(=O)NCc2ccco2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361277 609337861 /nfs/dbraw/zinc/33/78/61/609337861.db2.gz RLKWPYBPDBRARR-UHFFFAOYSA-N 1 0 392.423 1.266 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360897 609342044 /nfs/dbraw/zinc/34/20/44/609342044.db2.gz BVJLQZWUINDMOB-MRXNPFEDSA-N 1 0 394.483 1.756 20 0 GDADRO CC(C)C(=O)NCCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824178056 609342579 /nfs/dbraw/zinc/34/25/79/609342579.db2.gz MAAOWAXQVXXIGG-UHFFFAOYSA-N 1 0 382.472 1.519 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826059889 609342773 /nfs/dbraw/zinc/34/27/73/609342773.db2.gz BUYSRUJWVCASBB-CVEARBPZSA-N 1 0 380.456 1.272 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C1 ZINC000825453261 609359092 /nfs/dbraw/zinc/35/90/92/609359092.db2.gz UVCGAZVAQGLJFJ-GFCCVEGCSA-N 1 0 399.434 1.655 20 0 GDADRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000826158816 609360099 /nfs/dbraw/zinc/36/00/99/609360099.db2.gz DNLHQLTWDPSQLT-MRXNPFEDSA-N 1 0 387.440 1.551 20 0 GDADRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826390874 609365626 /nfs/dbraw/zinc/36/56/26/609365626.db2.gz PQXYIQMALLTRSN-SNVBAGLBSA-N 1 0 379.262 1.717 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2CCc3nccn3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477193 609415851 /nfs/dbraw/zinc/41/58/51/609415851.db2.gz XRPFQRWDWCZGCA-GDBMZVCRSA-N 1 0 378.440 1.163 20 0 GDADRO Cc1onc(CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)c1-c1nn[nH]n1 ZINC000826348703 609469488 /nfs/dbraw/zinc/46/94/88/609469488.db2.gz ABOPQXOBQBYCHV-UHFFFAOYSA-N 1 0 397.439 1.301 20 0 GDADRO [NH2+]=C(NOCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000826388243 609500103 /nfs/dbraw/zinc/50/01/03/609500103.db2.gz OMKRVTQCVBMQOD-SFHVURJKSA-N 1 0 393.451 1.766 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000824974769 609551640 /nfs/dbraw/zinc/55/16/40/609551640.db2.gz FRJDJEDFUQUYGN-MFKMUULPSA-N 1 0 384.893 1.527 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000825453219 609553183 /nfs/dbraw/zinc/55/31/83/609553183.db2.gz UOAICSXUJKNBQM-LBPRGKRZSA-N 1 0 384.893 1.625 20 0 GDADRO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826290226 609610869 /nfs/dbraw/zinc/61/08/69/609610869.db2.gz GBFAWDYPWCSIBH-LJQANCHMSA-N 1 0 394.479 1.737 20 0 GDADRO CC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[NH+](C)C ZINC000531679794 649994680 /nfs/dbraw/zinc/99/46/80/649994680.db2.gz PBZQDSDETOTUDN-LLVKDONJSA-N 1 0 379.935 1.575 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)Nc2nnc(CC(F)(F)F)s2)CC1 ZINC000531986465 650002718 /nfs/dbraw/zinc/00/27/18/650002718.db2.gz NZNSNFIMHTYFSI-UHFFFAOYSA-N 1 0 380.440 1.792 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000532202917 650018811 /nfs/dbraw/zinc/01/88/11/650018811.db2.gz HPOBUWRFXZOYIR-ZDUSSCGKSA-N 1 0 377.532 1.380 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000533399593 650050997 /nfs/dbraw/zinc/05/09/97/650050997.db2.gz PWOSOQPZPNNRAK-UHFFFAOYSA-N 1 0 388.559 1.379 20 0 GDADRO O=S(=O)(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cncc(Cl)c1 ZINC000533632650 650211298 /nfs/dbraw/zinc/21/12/98/650211298.db2.gz LHAMIAYEGVJCJB-QGZVFWFLSA-N 1 0 381.885 1.650 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)co1 ZINC000534493745 650222655 /nfs/dbraw/zinc/22/26/55/650222655.db2.gz JLXCYZJMPJYCCL-CQSZACIVSA-N 1 0 385.873 1.874 20 0 GDADRO C[N@H+](CC(=O)NCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCSC1 ZINC000534586596 650225862 /nfs/dbraw/zinc/22/58/62/650225862.db2.gz SWMVKEJCLYCBNP-CYBMUJFWSA-N 1 0 386.315 1.941 20 0 GDADRO C[N@H+](CCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br)C1CC1 ZINC000535061123 650240653 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GDADRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1ccc(I)cc1 ZINC000540149690 650350439 /nfs/dbraw/zinc/35/04/39/650350439.db2.gz WRHLQBJUUTWUPQ-MFKMUULPSA-N 1 0 395.262 1.755 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000540628881 650366839 /nfs/dbraw/zinc/36/68/39/650366839.db2.gz BACYQUPASHSHDI-UHFFFAOYSA-N 1 0 392.319 1.558 20 0 GDADRO O=C(Cn1cc(Br)cn1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541052506 650377259 /nfs/dbraw/zinc/37/72/59/650377259.db2.gz DBXJDVHWHYHTJN-MRXNPFEDSA-N 1 0 393.285 1.529 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C[C@H]1[NH+](C)C ZINC000541310004 650381484 /nfs/dbraw/zinc/38/14/84/650381484.db2.gz KJSIJDKQVGJRHQ-ZIAGYGMSSA-N 1 0 380.482 1.997 20 0 GDADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000541819548 650392283 /nfs/dbraw/zinc/39/22/83/650392283.db2.gz ZXHRLFZWLVMRQO-UHFFFAOYSA-N 1 0 386.539 1.369 20 0 GDADRO C[C@H](C[S@](C)=O)[NH2+][C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000542489075 650406464 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CN(CCC[NH+](C)C)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000546659487 650482608 /nfs/dbraw/zinc/48/26/08/650482608.db2.gz SCALVWITTDXXCY-UHFFFAOYSA-N 1 0 390.937 1.602 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000547276443 650493609 /nfs/dbraw/zinc/49/36/09/650493609.db2.gz RCYZEQYYGMGAAV-ZDUSSCGKSA-N 1 0 378.185 1.227 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000547277665 650493935 /nfs/dbraw/zinc/49/39/35/650493935.db2.gz UDULMFPPQSYFSF-MRXNPFEDSA-N 1 0 379.258 1.431 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc2ncccc2c1 ZINC000548176421 650533443 /nfs/dbraw/zinc/53/34/43/650533443.db2.gz FTDJWQXIBUTHPQ-UHFFFAOYSA-N 1 0 378.479 1.773 20 0 GDADRO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000548752691 650562296 /nfs/dbraw/zinc/56/22/96/650562296.db2.gz WWTXWJVGPSWAOF-OKILXGFUSA-N 1 0 385.917 1.656 20 0 GDADRO C[C@H]1C[C@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000548753277 650562313 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COCC[N@H+](C)CCCNC(=O)C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000551387785 650605623 /nfs/dbraw/zinc/60/56/23/650605623.db2.gz UOTYUEZZQACVAY-UHFFFAOYSA-N 1 0 377.819 1.950 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)s1 ZINC000551872643 650613968 /nfs/dbraw/zinc/61/39/68/650613968.db2.gz DNSZSAXGMFGFMY-LLVKDONJSA-N 1 0 376.887 1.578 20 0 GDADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2cc(Br)c[nH]2)CC1 ZINC000552031584 650618079 /nfs/dbraw/zinc/61/80/79/650618079.db2.gz PVAPIUWILUFTCM-UHFFFAOYSA-N 1 0 385.306 1.840 20 0 GDADRO C[C@@H](NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)C(=O)NCC[NH+](C)C ZINC000552082063 650618803 /nfs/dbraw/zinc/61/88/03/650618803.db2.gz DURBRVYBSDBHCI-SECBINFHSA-N 1 0 399.264 1.866 20 0 GDADRO C[C@@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)C(=O)NCC[NH+](C)C ZINC000552083164 650619131 /nfs/dbraw/zinc/61/91/31/650619131.db2.gz UTQINVFSLXOTPV-LLVKDONJSA-N 1 0 396.285 1.407 20 0 GDADRO CC(C)[N@H+](C)CC(=O)NCC(=O)Nc1ccc(I)cc1 ZINC000552293458 650622527 /nfs/dbraw/zinc/62/25/27/650622527.db2.gz XAHSJDGGIODJJV-UHFFFAOYSA-N 1 0 389.237 1.686 20 0 GDADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N(C)C)C[C@@H](C)C1 ZINC000553784146 650657235 /nfs/dbraw/zinc/65/72/35/650657235.db2.gz MXRGDLMQKQQYPH-IHRRRGAJSA-N 1 0 385.555 1.801 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[NH+](CC)CC)cc1 ZINC000553877881 650662354 /nfs/dbraw/zinc/66/23/54/650662354.db2.gz QUHGNPRIWWYQRS-CQSZACIVSA-N 1 0 391.559 1.384 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cc(Br)cn2C)CC[N@@H+]1C ZINC000554029631 650666953 /nfs/dbraw/zinc/66/69/53/650666953.db2.gz KXHBTLYNHCLSOM-YPMHNXCESA-N 1 0 385.306 1.345 20 0 GDADRO Cc1nnc(CNC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000554462325 650675500 /nfs/dbraw/zinc/67/55/00/650675500.db2.gz JYUOJDOOXQSMJU-ZDUSSCGKSA-N 1 0 381.889 1.535 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000554822109 650681963 /nfs/dbraw/zinc/68/19/63/650681963.db2.gz SLQDMPCDHNABNK-RYUDHWBXSA-N 1 0 391.896 1.746 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000554858405 650682677 /nfs/dbraw/zinc/68/26/77/650682677.db2.gz NMSXBIKDDPGASE-UHFFFAOYSA-N 1 0 385.559 1.455 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000555612540 650694081 /nfs/dbraw/zinc/69/40/81/650694081.db2.gz RVIHHCAJSGJEHD-NSHDSACASA-N 1 0 397.324 1.747 20 0 GDADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCC2CCS(=O)(=O)CC2)[C@H](C(F)(F)F)C1 ZINC000556688295 650709080 /nfs/dbraw/zinc/70/90/80/650709080.db2.gz AQTLGYGHOFMZHZ-CHWSQXEVSA-N 1 0 384.464 1.836 20 0 GDADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000556877293 650713929 /nfs/dbraw/zinc/71/39/29/650713929.db2.gz CKVOEQPHNAKAFA-VXGBXAGGSA-N 1 0 380.919 1.433 20 0 GDADRO O=C1CC[C@@H]([NH+]2CCN(Cc3cccc(O)c3Br)CC2)CCN1 ZINC000556786669 650711502 /nfs/dbraw/zinc/71/15/02/650711502.db2.gz DZYLHEQORNDOEA-CQSZACIVSA-N 1 0 382.302 1.941 20 0 GDADRO C[C@](CO)([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000556828939 650713125 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392.905 1.099 20 0 GDADRO C[C@H](C[NH3+])NS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000470440424 647726200 /nfs/dbraw/zinc/72/62/00/647726200.db2.gz HEIWAJBXRNFUHN-SCSAIBSYSA-N 1 0 384.639 1.575 20 0 GDADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1nc(Br)c[nH]1)C(F)(F)F ZINC000921582306 660310933 /nfs/dbraw/zinc/31/09/33/660310933.db2.gz SFQQIPFITBDAOO-LLVKDONJSA-N 1 0 382.184 1.836 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000471649635 647750463 /nfs/dbraw/zinc/75/04/63/647750463.db2.gz ZNOHDMGHJULEKV-UHFFFAOYSA-N 1 0 385.711 1.959 20 0 GDADRO CN(C(=O)CNC(=O)c1cccc(Br)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000475828216 647766308 /nfs/dbraw/zinc/76/63/08/647766308.db2.gz KDOQUTSYOXIXFL-HNNXBMFYSA-N 1 0 380.286 1.874 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)C[NH+](C)C ZINC000921637739 660317964 /nfs/dbraw/zinc/31/79/64/660317964.db2.gz WXHLOUGQUHQCQH-AAEUAGOBSA-N 1 0 377.532 1.190 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)C[NH+](C)C ZINC000921642670 660318455 /nfs/dbraw/zinc/31/84/55/660318455.db2.gz LVSWXUMNFFYGHS-NSHDSACASA-N 1 0 385.408 1.268 20 0 GDADRO CCc1nc(C(=O)N2CCO[C@@H](C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000478724754 647814493 /nfs/dbraw/zinc/81/44/93/647814493.db2.gz NMJFUYYHPKCYLD-JTQLQIEISA-N 1 0 384.267 1.936 20 0 GDADRO Cn1cc(CNC(=O)NCCN2CCC([NH+](C)C)CC2)c(Br)n1 ZINC000921668795 660321291 /nfs/dbraw/zinc/32/12/91/660321291.db2.gz XHIFGKZZPBBMOW-UHFFFAOYSA-N 1 0 387.326 1.008 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)[C@@H]2CCC[C@H]2C(=O)OC)C1 ZINC000480759929 647855445 /nfs/dbraw/zinc/85/54/45/647855445.db2.gz QIZWARWFNBVKDJ-BZUAXINKSA-N 1 0 376.519 1.091 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000481000335 647866864 /nfs/dbraw/zinc/86/68/64/647866864.db2.gz COLIDAMHTLABGW-UHFFFAOYSA-N 1 0 389.294 1.628 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)CCSC1 ZINC000481178543 647871305 /nfs/dbraw/zinc/87/13/05/647871305.db2.gz WKUDWDWCBIAWKD-RMRKRWHISA-N 1 0 386.587 1.266 20 0 GDADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000921720987 660325733 /nfs/dbraw/zinc/32/57/33/660325733.db2.gz NXDHJWQRLDDVRV-UHFFFAOYSA-N 1 0 386.539 1.775 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)CC(C)C ZINC000482179535 647895471 /nfs/dbraw/zinc/89/54/71/647895471.db2.gz PXAUNOPCRSOHPK-CVEARBPZSA-N 1 0 376.563 1.841 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)CC(C)C ZINC000482179537 647895650 /nfs/dbraw/zinc/89/56/50/647895650.db2.gz PXAUNOPCRSOHPK-HOTGVXAUSA-N 1 0 376.563 1.841 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000484113721 647912075 /nfs/dbraw/zinc/91/20/75/647912075.db2.gz JTERMLXCEBCOKU-MNOVXSKESA-N 1 0 379.258 1.355 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000484121202 647912349 /nfs/dbraw/zinc/91/23/49/647912349.db2.gz YGYBEIGZYWIVFD-MRXNPFEDSA-N 1 0 391.603 1.524 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000486307120 647935332 /nfs/dbraw/zinc/93/53/32/647935332.db2.gz GQBNCMYNNCOVAJ-SNVBAGLBSA-N 1 0 380.440 1.729 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000487373735 647950508 /nfs/dbraw/zinc/95/05/08/647950508.db2.gz CNCINLCOZQXVEW-CYBMUJFWSA-N 1 0 375.922 1.653 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000488507078 647960461 /nfs/dbraw/zinc/96/04/61/647960461.db2.gz PNDLGNJEHOLZPY-AWEZNQCLSA-N 1 0 385.306 1.503 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000490838113 647990318 /nfs/dbraw/zinc/99/03/18/647990318.db2.gz FYDURTFOJDFEEZ-OAHLLOKOSA-N 1 0 380.246 1.580 20 0 GDADRO CC1(C)NC(=O)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000494969831 648008819 /nfs/dbraw/zinc/00/88/19/648008819.db2.gz GGHRVGUXAOTIGQ-CYBMUJFWSA-N 1 0 377.869 1.404 20 0 GDADRO O=C(Cc1ccc(Br)cc1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000496245618 648017643 /nfs/dbraw/zinc/01/76/43/648017643.db2.gz NHVUVSRNTQXTFH-HNNXBMFYSA-N 1 0 394.313 1.662 20 0 GDADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000497355539 648026689 /nfs/dbraw/zinc/02/66/89/648026689.db2.gz YGGFNONPTULGOC-AWEZNQCLSA-N 1 0 385.917 1.481 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)s1 ZINC000497360219 648027355 /nfs/dbraw/zinc/02/73/55/648027355.db2.gz CGKYHFCKJZENJE-AWEZNQCLSA-N 1 0 375.560 1.715 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000497770163 648037795 /nfs/dbraw/zinc/03/77/95/648037795.db2.gz WIIOYGTWAXWDIP-ZDUSSCGKSA-N 1 0 377.304 1.560 20 0 GDADRO CCOc1cc(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)ccc1OC(F)F ZINC000497778905 648037817 /nfs/dbraw/zinc/03/78/17/648037817.db2.gz QKBNVNBIHPMUAO-LLVKDONJSA-N 1 0 380.413 1.065 20 0 GDADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000498204889 648050824 /nfs/dbraw/zinc/05/08/24/648050824.db2.gz MAIWSEQLOQSQNU-NSHDSACASA-N 1 0 381.832 1.155 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000498208691 648051302 /nfs/dbraw/zinc/05/13/02/648051302.db2.gz SSTRFHDMJIZULA-LLVKDONJSA-N 1 0 378.217 1.668 20 0 GDADRO C[NH+](C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1Cl ZINC000499110681 648076049 /nfs/dbraw/zinc/07/60/49/648076049.db2.gz OOXDMKYOKVUFLE-CYBMUJFWSA-N 1 0 394.946 1.470 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)CC1 ZINC000499787434 648093071 /nfs/dbraw/zinc/09/30/71/648093071.db2.gz UMGOHXFRZXGOLP-HNNXBMFYSA-N 1 0 377.551 1.200 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000499910565 648095009 /nfs/dbraw/zinc/09/50/09/648095009.db2.gz BXYUFBPOPRPGIQ-HNNXBMFYSA-N 1 0 379.592 1.284 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000500014929 648096707 /nfs/dbraw/zinc/09/67/07/648096707.db2.gz BUAAGSZWAMLFLM-SOUVJXGZSA-N 1 0 379.592 1.284 20 0 GDADRO CCN(CC)S(=O)(=O)CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000501069110 648127953 /nfs/dbraw/zinc/12/79/53/648127953.db2.gz HRJJSXFMJJMITA-UHFFFAOYSA-N 1 0 376.567 1.421 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000501249603 648134520 /nfs/dbraw/zinc/13/45/20/648134520.db2.gz SRKOHTASXANKIJ-ZDUSSCGKSA-N 1 0 389.543 1.229 20 0 GDADRO CN(CCN(C)S(=O)(=O)c1c(F)cc(F)cc1F)C1CC[NH+](C)CC1 ZINC000502666099 648167587 /nfs/dbraw/zinc/16/75/87/648167587.db2.gz HZHSMXVMMHHYSL-UHFFFAOYSA-N 1 0 379.448 1.750 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000502841095 648174083 /nfs/dbraw/zinc/17/40/83/648174083.db2.gz JWWNRRGFLLTFLU-YUELXQCFSA-N 1 0 389.265 1.832 20 0 GDADRO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000502880630 648176505 /nfs/dbraw/zinc/17/65/05/648176505.db2.gz HARKJDUPSFYFPL-RHSMWYFYSA-N 1 0 386.279 1.579 20 0 GDADRO CC[NH+](CC)CCOC1CCN(Cc2nnc(S(C)(=O)=O)s2)CC1 ZINC000503072393 648181529 /nfs/dbraw/zinc/18/15/29/648181529.db2.gz BIKMLRYQLVAHSP-UHFFFAOYSA-N 1 0 376.548 1.264 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(CCNC(C)=O)s2)C[C@@H]1[NH+](C)C ZINC000503242567 648183435 /nfs/dbraw/zinc/18/34/35/648183435.db2.gz DOIIUHPOEASTMH-UONOGXRCSA-N 1 0 391.584 1.093 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3nc4ncc(Br)cn4n3)C2)C1 ZINC000505538031 648212536 /nfs/dbraw/zinc/21/25/36/648212536.db2.gz JKDYUROMPCEJFO-HNNXBMFYSA-N 1 0 379.262 1.445 20 0 GDADRO O=C(NCCCNC(=O)c1ccc(Br)cc1)NCC[NH+]1CCC1 ZINC000506465855 648217980 /nfs/dbraw/zinc/21/79/80/648217980.db2.gz YIMMKIYQFAYICP-UHFFFAOYSA-N 1 0 383.290 1.574 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)N2CCC[C@H](S(C)(=O)=O)CC2)CCCO1 ZINC000507456264 648246027 /nfs/dbraw/zinc/24/60/27/648246027.db2.gz LREXHRCCMZBCCE-HOTGVXAUSA-N 1 0 375.535 1.096 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2sc(S(N)(=O)=O)cc2C)o1 ZINC000509941734 648307001 /nfs/dbraw/zinc/30/70/01/648307001.db2.gz ZXRYBOFDJCGAMO-UHFFFAOYSA-N 1 0 385.511 1.809 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000510745744 648340134 /nfs/dbraw/zinc/34/01/34/648340134.db2.gz KQPXWJBOQPLIHE-HZPDHXFCSA-N 1 0 387.933 1.449 20 0 GDADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000512202421 648399485 /nfs/dbraw/zinc/39/94/85/648399485.db2.gz KEFUKYMVDTVVDZ-SWLSCSKDSA-N 1 0 388.295 1.730 20 0 GDADRO COCCN(CCOC)S(=O)(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512460182 648406425 /nfs/dbraw/zinc/40/64/25/648406425.db2.gz OTQJCNODGUPQPX-JKSUJKDBSA-N 1 0 377.551 1.069 20 0 GDADRO C[C@H](C[S@](C)=O)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000512740540 648414197 /nfs/dbraw/zinc/41/41/97/648414197.db2.gz PUMKZDREOHMVDS-DRPFGQNVSA-N 1 0 385.555 1.130 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000513061898 648419889 /nfs/dbraw/zinc/41/98/89/648419889.db2.gz DFYVTXJSODDSFG-YPMHNXCESA-N 1 0 377.304 1.803 20 0 GDADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000514241436 648451633 /nfs/dbraw/zinc/45/16/33/648451633.db2.gz KKVKLYGVGSPHMD-GXFFZTMASA-N 1 0 382.452 1.994 20 0 GDADRO NS(=O)(=O)c1ccccc1C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000514857030 648469172 /nfs/dbraw/zinc/46/91/72/648469172.db2.gz RZNUQBOPFUYEJI-OAHLLOKOSA-N 1 0 384.885 1.655 20 0 GDADRO C[NH2+]CCN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000514863706 648470227 /nfs/dbraw/zinc/47/02/27/648470227.db2.gz ITWGRNHAVXGZRH-UHFFFAOYSA-N 1 0 387.811 1.315 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000515435009 648496288 /nfs/dbraw/zinc/49/62/88/648496288.db2.gz TUEUVJKQBQJTJH-NWDGAFQWSA-N 1 0 397.273 1.624 20 0 GDADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)C1(c2cccc(Br)c2)CC1 ZINC000515645959 648503297 /nfs/dbraw/zinc/50/32/97/648503297.db2.gz MIVDPWRSEPHPJQ-UHFFFAOYSA-N 1 0 391.273 1.647 20 0 GDADRO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000515648446 648503445 /nfs/dbraw/zinc/50/34/45/648503445.db2.gz YIDBTLJIOXHZJI-GFCCVEGCSA-N 1 0 375.878 1.015 20 0 GDADRO C[C@@H](NC(=O)NC(C)(C)CN1CCOCC1)c1ncc(Br)cn1 ZINC000515800458 648507438 /nfs/dbraw/zinc/50/74/38/648507438.db2.gz IERNPBBVKHFPRT-LLVKDONJSA-N 1 0 386.294 1.710 20 0 GDADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1(C)C ZINC000516072009 648511873 /nfs/dbraw/zinc/51/18/73/648511873.db2.gz VALQRMHUCROLSG-ZBFHGGJFSA-N 1 0 376.906 1.643 20 0 GDADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1(C)C ZINC000516072008 648511970 /nfs/dbraw/zinc/51/19/70/648511970.db2.gz VALQRMHUCROLSG-HOCLYGCPSA-N 1 0 376.906 1.643 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000516162521 648515111 /nfs/dbraw/zinc/51/51/11/648515111.db2.gz HPEPLHXRWPSCDL-SNVBAGLBSA-N 1 0 392.257 1.528 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000516243493 648518903 /nfs/dbraw/zinc/51/89/03/648518903.db2.gz RYFHWVXWKMBHIZ-OAHLLOKOSA-N 1 0 379.258 1.743 20 0 GDADRO O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1CSc2ccc(Br)cc21 ZINC000516263011 648519269 /nfs/dbraw/zinc/51/92/69/648519269.db2.gz MVKFQLCVARPZIS-LBPRGKRZSA-N 1 0 399.314 1.327 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cc(F)ccc1I ZINC000516275292 648519958 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Cc1nnc2n1C[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)CC2 ZINC000574067705 651514457 /nfs/dbraw/zinc/51/44/57/651514457.db2.gz DVHUNDGCPYMUKO-ZFWWWQNUSA-N 1 0 395.301 1.941 20 0 GDADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)NC[C@H]1C[NH2+]CCO1 ZINC000574299544 651530691 /nfs/dbraw/zinc/53/06/91/651530691.db2.gz RDBBASXWPLJXII-OAHLLOKOSA-N 1 0 394.273 1.422 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)CCC[NH3+])n(-c2cccc(Br)c2)n1 ZINC000574382379 651536843 /nfs/dbraw/zinc/53/68/43/651536843.db2.gz RRQKHEDFIMDUKF-UHFFFAOYSA-N 1 0 394.273 1.689 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2cccc(Br)c2C1 ZINC000574392319 651537930 /nfs/dbraw/zinc/53/79/30/651537930.db2.gz NLPRXALRYYNUBO-ZIAGYGMSSA-N 1 0 392.297 1.402 20 0 GDADRO CCSc1nnc(NC(=O)NCc2ccncc2OCC[NH+](C)C)s1 ZINC000574839269 651573184 /nfs/dbraw/zinc/57/31/84/651573184.db2.gz IBNIUQQDPYIKFE-UHFFFAOYSA-N 1 0 382.515 2.307 20 0 GDADRO COc1ccc(Br)c(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000575056508 651579650 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CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000576927846 651696062 /nfs/dbraw/zinc/69/60/62/651696062.db2.gz DUHNYMKZZWULBW-KGLIPLIRSA-N 1 0 386.327 1.775 20 0 GDADRO O=C(NCCCOCC(F)(F)F)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000577268947 651720760 /nfs/dbraw/zinc/72/07/60/651720760.db2.gz XJGPCUZRAAKRGL-JTQLQIEISA-N 1 0 380.333 1.091 20 0 GDADRO O=[S@]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000577275230 651721149 /nfs/dbraw/zinc/72/11/49/651721149.db2.gz PHSVHCRFQYZAMD-NLQQUQSOSA-N 1 0 382.707 1.953 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000577368246 651726271 /nfs/dbraw/zinc/72/62/71/651726271.db2.gz IHSRTPMPVFTODM-UEEZHKSASA-N 1 0 380.286 1.617 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(I)cc1F ZINC000577651776 651745552 /nfs/dbraw/zinc/74/55/52/651745552.db2.gz QPMIAXBAPPYRDR-RQJHMYQMSA-N 1 0 379.173 1.221 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c1OC ZINC000577849947 651758012 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386.539 1.490 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CC[C@@H](F)C1 ZINC000578642649 651803655 /nfs/dbraw/zinc/80/36/55/651803655.db2.gz WDBOEWOUFOTROQ-OLZOCXBDSA-N 1 0 378.491 1.191 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000578747396 651810131 /nfs/dbraw/zinc/81/01/31/651810131.db2.gz YTPOLOOXXFZFJA-RULNRJAQSA-N 1 0 394.269 1.548 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000578868156 651820547 /nfs/dbraw/zinc/82/05/47/651820547.db2.gz QVQRJELCPRTDMG-NWDGAFQWSA-N 1 0 390.311 1.946 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000578890906 651822695 /nfs/dbraw/zinc/82/26/95/651822695.db2.gz BQVPNBMNEMUYLT-UWVGGRQHSA-N 1 0 384.267 2.360 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000579005363 651831812 /nfs/dbraw/zinc/83/18/12/651831812.db2.gz HDSOBMIXDIAZQZ-SKDRFNHKSA-N 1 0 381.832 1.120 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000579005999 651832202 /nfs/dbraw/zinc/83/22/02/651832202.db2.gz BQCARQUWSDWFHT-GFCCVEGCSA-N 1 0 382.555 1.776 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000579032174 651834480 /nfs/dbraw/zinc/83/44/80/651834480.db2.gz AVYOHXFWXDZLNX-KRWDZBQOSA-N 1 0 396.285 1.950 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000579231695 651843073 /nfs/dbraw/zinc/84/30/73/651843073.db2.gz PXCQWCMNVCHEIC-GVXVVHGQSA-N 1 0 387.311 1.930 20 0 GDADRO Cc1ccc(OCCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(Br)c1 ZINC000579258903 651847036 /nfs/dbraw/zinc/84/70/36/651847036.db2.gz CTRCRCXBKAEZND-TZMCWYRMSA-N 1 0 396.285 1.297 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN1C(=O)C[C@@H](c2cccc(Br)c2)C1=O ZINC000579493906 651863318 /nfs/dbraw/zinc/86/33/18/651863318.db2.gz ABMUEMVZIPICAX-GJZGRUSLSA-N 1 0 399.285 1.231 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000579593866 651870501 /nfs/dbraw/zinc/87/05/01/651870501.db2.gz HZJICXRMOSMQJQ-NXEZZACHSA-N 1 0 380.297 1.515 20 0 GDADRO CS(=O)(=O)Nc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)ccc1Cl ZINC000579623588 651872760 /nfs/dbraw/zinc/87/27/60/651872760.db2.gz DQCBJNBVZSHMCA-CYBMUJFWSA-N 1 0 389.905 1.288 20 0 GDADRO CC[NH2+]CCNC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000579833488 651879102 /nfs/dbraw/zinc/87/91/02/651879102.db2.gz CYFNWFNSULDTOK-UHFFFAOYSA-N 1 0 387.811 1.363 20 0 GDADRO O=C(NCCOc1cccc(Cl)c1Cl)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000579936470 651886414 /nfs/dbraw/zinc/88/64/14/651886414.db2.gz XHOCMXBDFIXJOS-QGZVFWFLSA-N 1 0 386.279 1.700 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000579936437 651886422 /nfs/dbraw/zinc/88/64/22/651886422.db2.gz RZRYMLRIEGBKGS-SNVBAGLBSA-N 1 0 388.693 1.916 20 0 GDADRO C[C@H](NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000580096650 651896572 /nfs/dbraw/zinc/89/65/72/651896572.db2.gz LYZPYQPSESGAIY-ITDIGPHOSA-N 1 0 385.295 1.414 20 0 GDADRO CC[NH2+]CCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000580172896 651901558 /nfs/dbraw/zinc/90/15/58/651901558.db2.gz JPZWQOFFJHUHDL-CQSZACIVSA-N 1 0 383.290 1.631 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000580215907 651905447 /nfs/dbraw/zinc/90/54/47/651905447.db2.gz IAVPKKXPAWQIHE-LBPRGKRZSA-N 1 0 382.302 1.926 20 0 GDADRO Cc1sc2c(cccc2C)c1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580216916 651905497 /nfs/dbraw/zinc/90/54/97/651905497.db2.gz MIRHRGODTJWODM-OCCSQVGLSA-N 1 0 379.507 1.451 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)CCC[NH3+])nn1-c1ccc(Cl)c(Cl)c1 ZINC000580298181 651909820 /nfs/dbraw/zinc/90/98/20/651909820.db2.gz ABWGOKSZAWPPCH-UHFFFAOYSA-N 1 0 384.267 2.233 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000580436156 651916293 /nfs/dbraw/zinc/91/62/93/651916293.db2.gz SLOLGPUYQFHYPZ-GJZGRUSLSA-N 1 0 389.539 1.801 20 0 GDADRO CN1CCN(C(=O)c2cc(F)ccc2I)[C@H](C[NH3+])C1 ZINC000580561587 651926026 /nfs/dbraw/zinc/92/60/26/651926026.db2.gz JQTLSOUCWGFWJY-SNVBAGLBSA-N 1 0 377.201 1.145 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)CCN1c1cccc(Br)c1 ZINC000580710353 651935718 /nfs/dbraw/zinc/93/57/18/651935718.db2.gz SZNDAOPINXWQJL-CABCVRRESA-N 1 0 379.258 1.402 20 0 GDADRO CSc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000580710636 651935794 /nfs/dbraw/zinc/93/57/94/651935794.db2.gz HSEOYURUOZKLPR-CABCVRRESA-N 1 0 388.555 1.552 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CCCO1 ZINC000580832862 651942329 /nfs/dbraw/zinc/94/23/29/651942329.db2.gz HBFXRAFRLWFOOU-ZDUSSCGKSA-N 1 0 380.491 1.771 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000580828790 651942468 /nfs/dbraw/zinc/94/24/68/651942468.db2.gz LQLFOMSGSGYCGO-KGLIPLIRSA-N 1 0 380.432 1.622 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H]1CCCN1C ZINC000581007091 651954218 /nfs/dbraw/zinc/95/42/18/651954218.db2.gz FFCTWTSZPGRVAC-OAHLLOKOSA-N 1 0 388.555 1.328 20 0 GDADRO N[C@](C(=O)NCCCN1CC[NH2+]CC1)(c1cccc(Cl)c1)C(F)(F)F ZINC000581071278 651958355 /nfs/dbraw/zinc/95/83/55/651958355.db2.gz OIUCJZFAMXXJGP-HNNXBMFYSA-N 1 0 378.826 1.468 20 0 GDADRO CSc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000581127220 651960301 /nfs/dbraw/zinc/96/03/01/651960301.db2.gz NZSRWEIVOVFJOC-RISCZKNCSA-N 1 0 378.416 1.901 20 0 GDADRO CC[NH+]1C[C@H](C)N(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000581155930 651962322 /nfs/dbraw/zinc/96/23/22/651962322.db2.gz WRXDLIDIHQZOCH-RYUDHWBXSA-N 1 0 393.962 1.963 20 0 GDADRO O=S1(=O)CCC(C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000581246053 651967221 /nfs/dbraw/zinc/96/72/21/651967221.db2.gz GPLASSTVOAITIP-ZDUSSCGKSA-N 1 0 381.416 1.860 20 0 GDADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000581487529 651977431 /nfs/dbraw/zinc/97/74/31/651977431.db2.gz SWVOKJIZBLFXLX-BUMJYQQGSA-N 1 0 397.244 1.953 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2cccc(S(N)(=O)=O)c2)c1 ZINC000582481329 651998829 /nfs/dbraw/zinc/99/88/29/651998829.db2.gz RTNVMKDEBKWERS-AWEZNQCLSA-N 1 0 384.885 1.825 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCc1cc(Cl)ccc1Br ZINC000582486945 651999270 /nfs/dbraw/zinc/99/92/70/651999270.db2.gz VRXRKQDROLQEEA-GFCCVEGCSA-N 1 0 388.693 1.977 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000582655856 652009753 /nfs/dbraw/zinc/00/97/53/652009753.db2.gz QBNQLBUZXBSJCG-IFUGULHKSA-N 1 0 398.276 1.758 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN[C@@H](c2ccccc2)C1 ZINC000582830052 652017520 /nfs/dbraw/zinc/01/75/20/652017520.db2.gz XEUQWHGCWXHWOM-DZGCQCFKSA-N 1 0 379.507 1.588 20 0 GDADRO CC[C@H](CSC)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000583198926 652029409 /nfs/dbraw/zinc/02/94/09/652029409.db2.gz QDBSPCZXHZIJBP-CYBMUJFWSA-N 1 0 394.584 1.442 20 0 GDADRO CSc1ccc([C@@H](CNC(=O)CCSc2nnnn2C)[NH+](C)C)cc1 ZINC000583255676 652031868 /nfs/dbraw/zinc/03/18/68/652031868.db2.gz VRLLPWQGKFGSMU-CQSZACIVSA-N 1 0 380.543 1.833 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000583258406 652032108 /nfs/dbraw/zinc/03/21/08/652032108.db2.gz LIIDZKIOAFJNQH-HUUCEWRRSA-N 1 0 380.432 1.622 20 0 GDADRO CN1CCN(C(=O)c2cc(F)c(F)cc2I)[C@H](C[NH3+])C1 ZINC000583563744 652041190 /nfs/dbraw/zinc/04/11/90/652041190.db2.gz XTBJPPDQGGVHLX-MRVPVSSYSA-N 1 0 395.191 1.284 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000583630690 652043398 /nfs/dbraw/zinc/04/33/98/652043398.db2.gz OYKWPXMTKDPZQB-HNNXBMFYSA-N 1 0 380.491 1.337 20 0 GDADRO CC[N@H+](C)C[C@@H](O)CN(C)S(=O)(=O)c1cc(Br)ccc1C ZINC000583763579 652047674 /nfs/dbraw/zinc/04/76/74/652047674.db2.gz DCKVEVMKZDNBQM-CYBMUJFWSA-N 1 0 379.320 1.691 20 0 GDADRO [NH3+]CCC1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000584179994 652059341 /nfs/dbraw/zinc/05/93/41/652059341.db2.gz UFCBFNFSYOZUEB-UHFFFAOYSA-N 1 0 393.285 1.746 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000584464555 652071544 /nfs/dbraw/zinc/07/15/44/652071544.db2.gz YFVYUJVMEWMJQP-LLVKDONJSA-N 1 0 380.495 1.462 20 0 GDADRO CN(CCC[NH2+]Cc1ncc(I)s1)S(C)(=O)=O ZINC000586776375 652094436 /nfs/dbraw/zinc/09/44/36/652094436.db2.gz DRWHHRWEMHCDMJ-UHFFFAOYSA-N 1 0 389.284 1.119 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)COc1cccc(I)c1)C2 ZINC000590335556 652127649 /nfs/dbraw/zinc/12/76/49/652127649.db2.gz NMNQIKQJEVXMKJ-UHFFFAOYSA-N 1 0 386.233 1.834 20 0 GDADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000590369661 652128882 /nfs/dbraw/zinc/12/88/82/652128882.db2.gz JGEVGJASTPAJTJ-IUODEOHRSA-N 1 0 387.933 1.230 20 0 GDADRO NC(=O)C1(C[NH2+]Cc2ccc(I)s2)CCOCC1 ZINC000590600621 652135950 /nfs/dbraw/zinc/13/59/50/652135950.db2.gz KFSMXZPCQLSJOG-UHFFFAOYSA-N 1 0 380.251 1.724 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)NC[C@@H](C)[NH3+])c1 ZINC000591294592 652159337 /nfs/dbraw/zinc/15/93/37/652159337.db2.gz MIRYCTHHVGLTDZ-SSDOTTSWSA-N 1 0 377.182 1.547 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000591305005 652161164 /nfs/dbraw/zinc/16/11/64/652161164.db2.gz YBELZKLIKPVXLK-ZCFIWIBFSA-N 1 0 381.601 1.347 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])c(Br)cc1F ZINC000591308896 652161870 /nfs/dbraw/zinc/16/18/70/652161870.db2.gz JDTVQVAWYOGISH-RNFRBKRXSA-N 1 0 390.209 1.165 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000592375364 652184451 /nfs/dbraw/zinc/18/44/51/652184451.db2.gz GPNMIYCWLDTQEU-GFCCVEGCSA-N 1 0 392.262 1.806 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C(=O)OC)C[C@H]1C[NH3+] ZINC000593731149 652244862 /nfs/dbraw/zinc/24/48/62/652244862.db2.gz SIKOTKOIGIIMPL-ZYHUDNBSSA-N 1 0 376.862 1.111 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)NCCc1ccc(I)s1 ZINC000593904384 652261432 /nfs/dbraw/zinc/26/14/32/652261432.db2.gz VGTRHZZDKHRBTC-SNVBAGLBSA-N 1 0 381.283 1.290 20 0 GDADRO CCO[C@@H]1CN(C(=O)c2ccc(I)c(F)c2)C[C@H]1C[NH3+] ZINC000593917285 652261943 /nfs/dbraw/zinc/26/19/43/652261943.db2.gz YJIFNXBAVBEUFX-ZWNOBZJWSA-N 1 0 392.212 1.866 20 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/nfs/dbraw/zinc/39/24/55/652392455.db2.gz LDXQZNFRDMZHFA-NXEZZACHSA-N 1 0 391.287 1.607 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000595110172 652393132 /nfs/dbraw/zinc/39/31/32/652393132.db2.gz IDBQKJJEYRTQQC-UHFFFAOYSA-N 1 0 377.260 1.266 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595219857 652398666 /nfs/dbraw/zinc/39/86/66/652398666.db2.gz AAFNZVIZPPNGFT-CVEARBPZSA-N 1 0 391.603 1.286 20 0 GDADRO C[NH2+]CCCNC(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000595268620 652401258 /nfs/dbraw/zinc/40/12/58/652401258.db2.gz XEMIBABKCAMUHB-UHFFFAOYSA-N 1 0 376.276 1.932 20 0 GDADRO CSC1(CNS(=O)(=O)C[C@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC000595330668 652408522 /nfs/dbraw/zinc/40/85/22/652408522.db2.gz NECCLXGIAVKQME-HNNXBMFYSA-N 1 0 380.576 1.317 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000595343960 652409681 /nfs/dbraw/zinc/40/96/81/652409681.db2.gz QPBXOYRHKUVPGS-SNVBAGLBSA-N 1 0 393.303 1.854 20 0 GDADRO CCOC(=O)CSc1nnc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)s1 ZINC000595917759 652426410 /nfs/dbraw/zinc/42/64/10/652426410.db2.gz UFBYVYRRGIBQNA-MRVPVSSYSA-N 1 0 382.471 1.246 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595952297 652429501 /nfs/dbraw/zinc/42/95/01/652429501.db2.gz YIXAKXVWBRDXJV-CVEARBPZSA-N 1 0 387.571 1.576 20 0 GDADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C[C@@H](C[NH3+])OC)C2 ZINC000596005212 652432699 /nfs/dbraw/zinc/43/26/99/652432699.db2.gz WDUMODAJJPOSOA-ZETCQYMHSA-N 1 0 377.260 1.503 20 0 GDADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Br)c[nH]c3=O)C2)CC1 ZINC000598690009 652472595 /nfs/dbraw/zinc/47/25/95/652472595.db2.gz MXBRMMXBGNJLHU-CQSZACIVSA-N 1 0 397.317 1.790 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599594223 652509705 /nfs/dbraw/zinc/50/97/05/652509705.db2.gz MHINKLJXJRIQCB-SJLPKXTDSA-N 1 0 399.329 1.752 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(I)cc1OC ZINC000599889599 652517046 /nfs/dbraw/zinc/51/70/46/652517046.db2.gz AXDIGVNKQJIVOV-UHFFFAOYSA-N 1 0 391.209 1.046 20 0 GDADRO Cc1cc(C)c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1I ZINC000600530496 652544727 /nfs/dbraw/zinc/54/47/27/652544727.db2.gz CIJIKPCCWCQPOL-GFCCVEGCSA-N 1 0 388.249 1.704 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(I)cc1Cl ZINC000600535688 652544967 /nfs/dbraw/zinc/54/49/67/652544967.db2.gz RATTUZCCWHQZKZ-SNVBAGLBSA-N 1 0 394.640 1.741 20 0 GDADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)N(CCOC)CCOC)C1 ZINC000600771182 652553118 /nfs/dbraw/zinc/55/31/18/652553118.db2.gz JGORGTYQWVPNRM-MRXNPFEDSA-N 1 0 379.567 1.316 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1c(F)cccc1I ZINC000600809489 652554946 /nfs/dbraw/zinc/55/49/46/652554946.db2.gz ZMKXZVYIBRHOEX-VIFPVBQESA-N 1 0 378.185 1.227 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCCc1cccc(Br)c1 ZINC000600880133 652556962 /nfs/dbraw/zinc/55/69/62/652556962.db2.gz MLDVSERWVKEYOK-INIZCTEOSA-N 1 0 383.334 1.927 20 0 GDADRO CS[C@H]1CN(c2cccc(OC(F)(F)F)c2S(N)(=O)=O)C[C@@H]1[NH+](C)C ZINC000601135112 652563267 /nfs/dbraw/zinc/56/32/67/652563267.db2.gz LMTHLIAHUWMVCT-JQWIXIFHSA-N 1 0 399.460 1.714 20 0 GDADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000601320226 652567746 /nfs/dbraw/zinc/56/77/46/652567746.db2.gz OFTUZVIMLBMIMU-LBPRGKRZSA-N 1 0 391.515 1.277 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1F ZINC000601347076 652568538 /nfs/dbraw/zinc/56/85/38/652568538.db2.gz ATUKSLYNLIHLAZ-LLVKDONJSA-N 1 0 376.425 1.808 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2C[C@H]([NH3+])C[C@@H]2C)c(Br)c1 ZINC000601347738 652568550 /nfs/dbraw/zinc/56/85/50/652568550.db2.gz NKLKWXSTLBWWIF-GXSJLCMTSA-N 1 0 391.287 1.736 20 0 GDADRO CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000601369298 652571796 /nfs/dbraw/zinc/57/17/96/652571796.db2.gz DBAKEGJFQCFLMV-CVEARBPZSA-N 1 0 379.517 1.852 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)C[C@H]1[NH+](C)C ZINC000601379857 652573279 /nfs/dbraw/zinc/57/32/79/652573279.db2.gz FZGHDQJMCWJYIB-CVEARBPZSA-N 1 0 381.523 1.503 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C[C@@H]1[NH+](C)C ZINC000601380762 652573515 /nfs/dbraw/zinc/57/35/15/652573515.db2.gz PTOOBBPERLWPCX-GXTWGEPZSA-N 1 0 387.552 1.266 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC(CC)([NH+](C)C)CC2)C1 ZINC000601502307 652588828 /nfs/dbraw/zinc/58/88/28/652588828.db2.gz NAPFMECVMAPTRZ-HNNXBMFYSA-N 1 0 375.535 1.313 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1I ZINC000601573091 652594720 /nfs/dbraw/zinc/59/47/20/652594720.db2.gz JSKPFIKLWWCOLZ-QWRGUYRKSA-N 1 0 385.205 1.111 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601575731 652595219 /nfs/dbraw/zinc/59/52/19/652595219.db2.gz RPMHFAAYWSFTEG-AOOOYVTPSA-N 1 0 385.205 1.193 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2I)C[C@H]1C[NH3+] ZINC000601578358 652595372 /nfs/dbraw/zinc/59/53/72/652595372.db2.gz ZBEGSMMTABPMEH-NXEZZACHSA-N 1 0 387.221 1.283 20 0 GDADRO CN(C(=O)c1nn(C)cc1I)C(C)(C)C[NH+]1CCCC1 ZINC000602356039 652633115 /nfs/dbraw/zinc/63/31/15/652633115.db2.gz KTSNKKYCJVIRRX-UHFFFAOYSA-N 1 0 390.269 1.971 20 0 GDADRO C[S@](=O)C1(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC[NH2+]CC1 ZINC000602453827 652637482 /nfs/dbraw/zinc/63/74/82/652637482.db2.gz KAZHGYUDQDHPLM-MQNRADLISA-N 1 0 388.892 1.880 20 0 GDADRO COC(=O)CC[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)C ZINC000602467551 652638425 /nfs/dbraw/zinc/63/84/25/652638425.db2.gz GWCOKDKZBGKGKR-UHFFFAOYSA-N 1 0 393.303 1.870 20 0 GDADRO CN(CCOCC[NH3+])C(=O)c1ccc(Cl)c(I)c1 ZINC000602561692 652641433 /nfs/dbraw/zinc/64/14/33/652641433.db2.gz ZLDCEPMFUVURGH-UHFFFAOYSA-N 1 0 382.629 1.992 20 0 GDADRO O=C(CCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccc(I)cc1 ZINC000602605434 652643028 /nfs/dbraw/zinc/64/30/28/652643028.db2.gz QUHRDNWIERBBMH-STQMWFEESA-N 1 0 384.217 1.827 20 0 GDADRO COC(=O)CC1([NH2+]Cc2cc(C(=O)OC)cs2)CCS(=O)(=O)CC1 ZINC000602627777 652643538 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CC[NH+](CC)CC[C@@H](CO)NCc1ncc(I)s1 ZINC000603432600 652718175 /nfs/dbraw/zinc/71/81/75/652718175.db2.gz NEKUKIVUGCEUNH-JTQLQIEISA-N 1 0 383.299 1.930 20 0 GDADRO O=C1CN(CCC[NH2+]Cc2ccc(I)s2)CCN1 ZINC000603433072 652718556 /nfs/dbraw/zinc/71/85/56/652718556.db2.gz RHWAAVBWVQBHJP-UHFFFAOYSA-N 1 0 379.267 1.264 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ncc(I)s1 ZINC000603436790 652720275 /nfs/dbraw/zinc/72/02/75/652720275.db2.gz DOXBGZFJQAMDBL-SECBINFHSA-N 1 0 394.282 1.113 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000603658807 652727853 /nfs/dbraw/zinc/72/78/53/652727853.db2.gz BLMZHRADOBDIQY-HRCADAONSA-N 1 0 375.535 1.216 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000603699122 652728258 /nfs/dbraw/zinc/72/82/58/652728258.db2.gz KPIULWIDBFTPLA-UHFFFAOYSA-N 1 0 389.237 1.686 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000605372650 652755547 /nfs/dbraw/zinc/75/55/47/652755547.db2.gz AWZBNPPMVPWVOX-ZFWWWQNUSA-N 1 0 387.933 1.997 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCOc2cccc(Br)c2)C1 ZINC000605850053 652765561 /nfs/dbraw/zinc/76/55/61/652765561.db2.gz UQLVOEXLJQNILU-CQSZACIVSA-N 1 0 386.290 1.848 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)C[C@H]1C ZINC000607160833 652792181 /nfs/dbraw/zinc/79/21/81/652792181.db2.gz CTBHSLNTJQAPAY-KGLIPLIRSA-N 1 0 389.543 1.088 20 0 GDADRO COc1cc(F)c(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(F)c1 ZINC000608031710 652810946 /nfs/dbraw/zinc/81/09/46/652810946.db2.gz DIFQECFQQYGYER-LBPRGKRZSA-N 1 0 377.457 1.135 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000609331470 652841407 /nfs/dbraw/zinc/84/14/07/652841407.db2.gz LGQCNPGEBJEKNH-AWEZNQCLSA-N 1 0 379.592 1.380 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612975568 652948533 /nfs/dbraw/zinc/94/85/33/652948533.db2.gz NCXFTZFLEVHVJO-SNVBAGLBSA-N 1 0 392.934 1.121 20 0 GDADRO CCC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)S(N)(=O)=O ZINC000614598158 652960876 /nfs/dbraw/zinc/96/08/76/652960876.db2.gz UOFDLPASYCTXEQ-GOEBONIOSA-N 1 0 387.571 1.794 20 0 GDADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000615312066 652962710 /nfs/dbraw/zinc/96/27/10/652962710.db2.gz KTRMDNKBFADQDL-BXUZGUMPSA-N 1 0 389.315 1.774 20 0 GDADRO Cc1c(C(=O)N2CC(C[NH+](C)C)C2)cc(Br)cc1S(N)(=O)=O ZINC000615509978 652963448 /nfs/dbraw/zinc/96/34/48/652963448.db2.gz VDICQNQCARGCFC-UHFFFAOYSA-N 1 0 390.303 1.039 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)N[C@](C)(CO)c2ccc(Br)cc2)n1 ZINC000616834475 652969972 /nfs/dbraw/zinc/96/99/72/652969972.db2.gz NCDRIXMQMRSMGF-QGZVFWFLSA-N 1 0 395.301 1.845 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000618194704 652980430 /nfs/dbraw/zinc/98/04/30/652980430.db2.gz HPKRQHKFLIUSGC-HNNXBMFYSA-N 1 0 380.286 1.822 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000618195681 652980489 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C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)CCN1S(C)(=O)=O ZINC000638316843 653538095 /nfs/dbraw/zinc/53/80/95/653538095.db2.gz OBQVXZNRVUBWOC-GXFFZTMASA-N 1 0 379.404 1.198 20 0 GDADRO COc1cc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)ccc1Br ZINC000638339395 653538553 /nfs/dbraw/zinc/53/85/53/653538553.db2.gz GKXLLZZHVCXPBP-CYBMUJFWSA-N 1 0 394.273 1.985 20 0 GDADRO COc1nsc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c1Br ZINC000638343819 653538569 /nfs/dbraw/zinc/53/85/69/653538569.db2.gz MQNRNGUZNLVGLO-UHFFFAOYSA-N 1 0 384.321 1.428 20 0 GDADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)COc3ccc(Br)cn3)CC2)C1 ZINC000638347228 653538595 /nfs/dbraw/zinc/53/85/95/653538595.db2.gz PHMRGYOCBRHKID-GJZGRUSLSA-N 1 0 398.301 1.968 20 0 GDADRO [NH3+]C1(CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)CCOCC1 ZINC000638540991 653539201 /nfs/dbraw/zinc/53/92/01/653539201.db2.gz XKDXVHHTXZDZBU-UHFFFAOYSA-N 1 0 379.258 1.873 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1([NH3+])CCOCC1 ZINC000638537091 653539207 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C[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000641443983 653568258 /nfs/dbraw/zinc/56/82/58/653568258.db2.gz YFPYKYZSWDRSFS-SNVBAGLBSA-N 1 0 395.312 1.357 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N(CCO)Cc1cccc(Br)c1 ZINC000642005650 653576618 /nfs/dbraw/zinc/57/66/18/653576618.db2.gz WTPJMCMZAWGHFV-HNNXBMFYSA-N 1 0 386.290 1.332 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642105592 653576902 /nfs/dbraw/zinc/57/69/02/653576902.db2.gz JWBLEZMAFPDQKO-IUODEOHRSA-N 1 0 382.302 1.755 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642105594 653577084 /nfs/dbraw/zinc/57/70/84/653577084.db2.gz JWBLEZMAFPDQKO-WFASDCNBSA-N 1 0 382.302 1.755 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642249283 653578029 /nfs/dbraw/zinc/57/80/29/653578029.db2.gz JQZKHKCWJBQJBM-ZDUSSCGKSA-N 1 0 386.265 1.505 20 0 GDADRO C[C@H](CNC(=O)CCN1C(=O)COc2cc(Br)ccc21)[NH+](C)C ZINC000642367141 653578342 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GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000646253438 653609260 /nfs/dbraw/zinc/60/92/60/653609260.db2.gz MMTDMOLMXPJJIC-GFCCVEGCSA-N 1 0 383.239 1.381 20 0 GDADRO C[NH+]1CCC2(CCN(C(=O)CNC(=O)c3ccc(Br)o3)C2)CC1 ZINC000646246442 653609267 /nfs/dbraw/zinc/60/92/67/653609267.db2.gz IPMBYADZQYUUOU-UHFFFAOYSA-N 1 0 384.274 1.716 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000646298778 653609507 /nfs/dbraw/zinc/60/95/07/653609507.db2.gz QCVLDDLMALSPRV-GMTAPVOTSA-N 1 0 394.269 1.642 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000646360917 653609887 /nfs/dbraw/zinc/60/98/87/653609887.db2.gz XEUWHDSGOQJGBM-QGZVFWFLSA-N 1 0 380.286 1.781 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000646419950 653610189 /nfs/dbraw/zinc/61/01/89/653610189.db2.gz CTECVAZSSAFSHA-LLVKDONJSA-N 1 0 384.278 1.736 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000646440120 653610303 /nfs/dbraw/zinc/61/03/03/653610303.db2.gz PLBIHASQBOMHON-ZIAGYGMSSA-N 1 0 394.273 1.427 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)s1 ZINC000646483071 653610408 /nfs/dbraw/zinc/61/04/08/653610408.db2.gz ZQUVRJYUEXAGOA-QLFBSQMISA-N 1 0 385.555 1.761 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000646524807 653610655 /nfs/dbraw/zinc/61/06/55/653610655.db2.gz ARHCKKQGFMCEPL-KBPBESRZSA-N 1 0 378.853 1.141 20 0 GDADRO O=C([C@H]1C[NH2+]CCO1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000646557623 653610846 /nfs/dbraw/zinc/61/08/46/653610846.db2.gz XFGUMPMAYFYBIC-OAHLLOKOSA-N 1 0 386.265 1.221 20 0 GDADRO CCCN(C(=O)C(=O)Nc1cc(Br)cn(C)c1=O)[C@@H]1CC[N@H+](C)C1 ZINC000646765426 653613385 /nfs/dbraw/zinc/61/33/85/653613385.db2.gz AULNQXASJWHXEF-GFCCVEGCSA-N 1 0 399.289 1.029 20 0 GDADRO CCCN(C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1)[C@H]1CC[N@H+](C)C1 ZINC000646765519 653613390 /nfs/dbraw/zinc/61/33/90/653613390.db2.gz DCYABARXFDSHSM-LBPRGKRZSA-N 1 0 399.289 1.029 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)CCO1 ZINC000646861446 653615195 /nfs/dbraw/zinc/61/51/95/653615195.db2.gz AXADTXBXHVTWDJ-ISTVAULSSA-N 1 0 375.238 1.930 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CCO1 ZINC000646856436 653615231 /nfs/dbraw/zinc/61/52/31/653615231.db2.gz HLNRSHAJQSSSLF-SMDDNHRTSA-N 1 0 384.274 1.144 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000646912158 653616346 /nfs/dbraw/zinc/61/63/46/653616346.db2.gz OGZWGEQODJIQQM-ZENOOKHLSA-N 1 0 392.297 1.965 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)[C@@H]2C1 ZINC000646937073 653617103 /nfs/dbraw/zinc/61/71/03/653617103.db2.gz FBZOEMXPGUCLQH-UKRRQHHQSA-N 1 0 380.286 1.732 20 0 GDADRO CC1([NH3+])CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000646995702 653618822 /nfs/dbraw/zinc/61/88/22/653618822.db2.gz LLSGMCZVHIGPNF-UHFFFAOYSA-N 1 0 379.258 1.499 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000647070187 653619954 /nfs/dbraw/zinc/61/99/54/653619954.db2.gz CNPLUJMQWOPMQR-CQSZACIVSA-N 1 0 381.523 1.736 20 0 GDADRO C[C@H](CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)n1cc(Br)cn1 ZINC000647096925 653620616 /nfs/dbraw/zinc/62/06/16/653620616.db2.gz WRGARYVWOAHTCS-DDTOSNHZSA-N 1 0 381.278 1.284 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCCS(=O)(=O)c2ccccc2)c(F)c1 ZINC000647176501 653622764 /nfs/dbraw/zinc/62/27/64/653622764.db2.gz LLMLVHHEEUWJPL-UHFFFAOYSA-N 1 0 386.470 1.427 20 0 GDADRO [NH3+][C@H]1CCCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000647180100 653622787 /nfs/dbraw/zinc/62/27/87/653622787.db2.gz FBYOQRPCIWRYJZ-HOTGVXAUSA-N 1 0 385.917 1.698 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000647200961 653623112 /nfs/dbraw/zinc/62/31/12/653623112.db2.gz RDITWWCZVMHVGZ-HNNXBMFYSA-N 1 0 389.543 1.649 20 0 GDADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000647205776 653623222 /nfs/dbraw/zinc/62/32/22/653623222.db2.gz SBSRLFHLFUUDFW-BBRMVZONSA-N 1 0 385.917 1.555 20 0 GDADRO [NH3+]C[C@H]1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000647205778 653623223 /nfs/dbraw/zinc/62/32/23/653623223.db2.gz SBSRLFHLFUUDFW-CZUORRHYSA-N 1 0 385.917 1.555 20 0 GDADRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000647228199 653623456 /nfs/dbraw/zinc/62/34/56/653623456.db2.gz LTPCALKNKPXZGV-UHFFFAOYSA-N 1 0 389.275 1.404 20 0 GDADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647233609 653623662 /nfs/dbraw/zinc/62/36/62/653623662.db2.gz AQUQPJWADVZPCN-DGCLKSJQSA-N 1 0 377.304 1.803 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000647234731 653624117 /nfs/dbraw/zinc/62/41/17/653624117.db2.gz ZATGUQPECYSWAO-GZMMTYOYSA-N 1 0 383.695 1.839 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000647254493 653624339 /nfs/dbraw/zinc/62/43/39/653624339.db2.gz RUJOIHYVKJFVOM-UHFFFAOYSA-N 1 0 389.905 1.552 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647264829 653624521 /nfs/dbraw/zinc/62/45/21/653624521.db2.gz ULVPHMKIKXSUPN-SMDDNHRTSA-N 1 0 387.889 1.680 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC[C@H]1[NH3+] ZINC000647269755 653625049 /nfs/dbraw/zinc/62/50/49/653625049.db2.gz YZPXWDKKVRNTJI-TVQRCGJNSA-N 1 0 390.303 1.296 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000647280009 653625167 /nfs/dbraw/zinc/62/51/67/653625167.db2.gz NCKPVSXYNJHTLB-UONOGXRCSA-N 1 0 377.304 1.717 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)c1OC ZINC000647293431 653625340 /nfs/dbraw/zinc/62/53/40/653625340.db2.gz GWXVHPWZRUQMOW-QWRGUYRKSA-N 1 0 393.868 1.029 20 0 GDADRO O=S(=O)(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(Cl)c1 ZINC000647291165 653625345 /nfs/dbraw/zinc/62/53/45/653625345.db2.gz HZSDCZYQHQEODG-LBPRGKRZSA-N 1 0 389.802 1.594 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CC1 ZINC000647519371 653628124 /nfs/dbraw/zinc/62/81/24/653628124.db2.gz DODGMFVNMMOLSC-KGLIPLIRSA-N 1 0 381.416 1.050 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000647776538 653634007 /nfs/dbraw/zinc/63/40/07/653634007.db2.gz KGCKEJKBKNGUKX-UHFFFAOYSA-N 1 0 392.301 1.612 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000647816906 653635276 /nfs/dbraw/zinc/63/52/76/653635276.db2.gz CCTOCZQAQVFURL-BXKDBHETSA-N 1 0 380.297 1.467 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648175451 653640656 /nfs/dbraw/zinc/64/06/56/653640656.db2.gz XZMPEOLPVMLJOU-GXTWGEPZSA-N 1 0 375.441 1.105 20 0 GDADRO CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)c2cccs2)CC1 ZINC000648220167 653641467 /nfs/dbraw/zinc/64/14/67/653641467.db2.gz LHANAOJJJYWFNV-GDBMZVCRSA-N 1 0 385.555 1.671 20 0 GDADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648264209 653643147 /nfs/dbraw/zinc/64/31/47/653643147.db2.gz JFLRRFNOSLVRCG-MRXNPFEDSA-N 1 0 383.539 1.516 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000648447921 653649760 /nfs/dbraw/zinc/64/97/60/653649760.db2.gz SBZKIJDOYIYDGR-UHFFFAOYSA-N 1 0 394.310 1.255 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000648899459 653660138 /nfs/dbraw/zinc/66/01/38/653660138.db2.gz MKZQOALIPBVVCJ-ZDUSSCGKSA-N 1 0 395.301 1.912 20 0 GDADRO Cc1cncc(CC[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)n1 ZINC000649530533 653668764 /nfs/dbraw/zinc/66/87/64/653668764.db2.gz YDTVVNWWZYRBFV-UHFFFAOYSA-N 1 0 380.436 1.616 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649552291 653669038 /nfs/dbraw/zinc/66/90/38/653669038.db2.gz CZMJKNLIRPWIER-OAHLLOKOSA-N 1 0 387.933 1.749 20 0 GDADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686932 653671837 /nfs/dbraw/zinc/67/18/37/653671837.db2.gz BOIFWHWGXQSKMY-CYBMUJFWSA-N 1 0 397.317 1.482 20 0 GDADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688150 653671882 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C[NH+]1CCC(O)(CNC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651418004 653822634 /nfs/dbraw/zinc/82/26/34/653822634.db2.gz OAWKUSXSQUAVKG-ZDUSSCGKSA-N 1 0 383.286 1.888 20 0 GDADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)C(C)(C)C ZINC000651562023 653831471 /nfs/dbraw/zinc/83/14/71/653831471.db2.gz AROOAECYVGCRKB-MRXNPFEDSA-N 1 0 388.555 1.760 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651705562 653848535 /nfs/dbraw/zinc/84/85/35/653848535.db2.gz XJEDGBXFMHCAJD-CQSZACIVSA-N 1 0 375.897 1.633 20 0 GDADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000651769772 653855212 /nfs/dbraw/zinc/85/52/12/653855212.db2.gz WCGXAJOCLVUKSP-UHFFFAOYSA-N 1 0 391.559 1.193 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1=O ZINC000651958815 653874100 /nfs/dbraw/zinc/87/41/00/653874100.db2.gz TUGDONJJYDSVGH-UHFFFAOYSA-N 1 0 387.267 1.164 20 0 GDADRO O[C@@H]1CC[N@@H+](C2CN(Cc3cc(Br)c4c(c3)OCCCO4)C2)C1 ZINC000651978331 653875091 /nfs/dbraw/zinc/87/50/91/653875091.db2.gz GCIDYIXAOXPGPD-CQSZACIVSA-N 1 0 383.286 1.861 20 0 GDADRO C[NH+](C)C[C@@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000652115073 653882043 /nfs/dbraw/zinc/88/20/43/653882043.db2.gz SWDOHSNPPYGUFR-GDBMZVCRSA-N 1 0 387.933 1.525 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCc3n[nH]cc3Br)C2)C1 ZINC000652154947 653882845 /nfs/dbraw/zinc/88/28/45/653882845.db2.gz SMMKUYTXNPUNFS-WDMOLILDSA-N 1 0 386.294 1.600 20 0 GDADRO [NH3+]Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2cccs2)c(F)c1 ZINC000652171923 653883672 /nfs/dbraw/zinc/88/36/72/653883672.db2.gz BUBLWLYAGOYSCD-UHFFFAOYSA-N 1 0 386.474 1.124 20 0 GDADRO CCO[C@@H]1CN(C(=O)NCc2ccc(Br)cc2OC)C[C@H]1C[NH3+] ZINC000652180321 653883798 /nfs/dbraw/zinc/88/37/98/653883798.db2.gz PXJVKMRIFUYBBB-IUODEOHRSA-N 1 0 386.290 1.963 20 0 GDADRO [NH3+]CC1(CCNC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CC1 ZINC000652235875 653884845 /nfs/dbraw/zinc/88/48/45/653884845.db2.gz WBAHCBMVKHQSOU-AWEZNQCLSA-N 1 0 395.301 1.761 20 0 GDADRO O=S(=O)(c1ccc2c(c1)CS(=O)(=O)C2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000652366776 653888406 /nfs/dbraw/zinc/88/84/06/653888406.db2.gz OIIMWPIDOVEIGZ-CXAGYDPISA-N 1 0 384.523 1.268 20 0 GDADRO O=S(=O)(c1ccc2c(c1)CS(=O)(=O)C2)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000652371981 653889192 /nfs/dbraw/zinc/88/91/92/653889192.db2.gz MGOXYPUHRKBNKE-DYVFJYSZSA-N 1 0 384.523 1.268 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000652374151 653889615 /nfs/dbraw/zinc/88/96/15/653889615.db2.gz KOFMSOXZIOQWAH-RWMBFGLXSA-N 1 0 388.515 1.009 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ncc1Br ZINC000652631006 653894400 /nfs/dbraw/zinc/89/44/00/653894400.db2.gz VRGROPZFWLTGSD-ZBEGNZNMSA-N 1 0 381.274 1.678 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Br ZINC000652628637 653894459 /nfs/dbraw/zinc/89/44/59/653894459.db2.gz HSJNAGAUCWXSLG-GTNSWQLSSA-N 1 0 396.285 1.984 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2C)C[C@H]1C[NH3+] ZINC000652636668 653894881 /nfs/dbraw/zinc/89/48/81/653894881.db2.gz ULSSQZLSNARSTO-BXUZGUMPSA-N 1 0 384.274 1.518 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)NCCSc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000652670560 653895812 /nfs/dbraw/zinc/89/58/12/653895812.db2.gz WNDNNBSSOSNVSP-IUODEOHRSA-N 1 0 385.917 1.371 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000653047114 653904420 /nfs/dbraw/zinc/90/44/20/653904420.db2.gz FWOOEHCYBVHFRP-NSHDSACASA-N 1 0 393.285 1.858 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000653112148 653906618 /nfs/dbraw/zinc/90/66/18/653906618.db2.gz NTNHWEHSDFCYFK-CJNGLKHVSA-N 1 0 383.334 1.671 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1nscc1Br ZINC000653135589 653906824 /nfs/dbraw/zinc/90/68/24/653906824.db2.gz JJCPUSLBZDXWCC-VIFPVBQESA-N 1 0 375.292 1.365 20 0 GDADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653160691 653907617 /nfs/dbraw/zinc/90/76/17/653907617.db2.gz SHPSKUJSSCWTCH-ZBEGNZNMSA-N 1 0 393.241 1.351 20 0 GDADRO O=C(c1cc2c(cncc2Br)s1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294313 653963283 /nfs/dbraw/zinc/96/32/83/653963283.db2.gz SJMRXOCRHJXNFJ-VHSXEESVSA-N 1 0 382.283 1.950 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1Br ZINC000655413739 653969272 /nfs/dbraw/zinc/96/92/72/653969272.db2.gz HQMVYOPJFAFXRW-IUODEOHRSA-N 1 0 398.301 1.450 20 0 GDADRO [NH3+]C[C@@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(F)(F)F ZINC000655507755 653972418 /nfs/dbraw/zinc/97/24/18/653972418.db2.gz FDXQYXHFSFOKSS-SECBINFHSA-N 1 0 394.147 1.051 20 0 GDADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C(F)(F)F ZINC000655510364 653973075 /nfs/dbraw/zinc/97/30/75/653973075.db2.gz WFHRZQUXULASJE-WDEREUQCSA-N 1 0 394.191 1.808 20 0 GDADRO Cn1nnc2c1CC[C@H]([NH2+]Cc1cn(-c3ccccc3Br)nn1)C2 ZINC000655840816 653991231 /nfs/dbraw/zinc/99/12/31/653991231.db2.gz KLCLQYWMZOBHIJ-NSHDSACASA-N 1 0 388.273 1.805 20 0 GDADRO CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000655924166 653994341 /nfs/dbraw/zinc/99/43/41/653994341.db2.gz GXMDGSUJMWHGMW-KOLCDFICSA-N 1 0 385.795 1.699 20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000655949051 653995704 /nfs/dbraw/zinc/99/57/04/653995704.db2.gz LAWWCDRSTDMGLQ-UHFFFAOYSA-N 1 0 376.320 1.082 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ncc(Br)cn1 ZINC000655962366 653996659 /nfs/dbraw/zinc/99/66/59/653996659.db2.gz SGWNHLQBVSIMAS-YUTCNCBUSA-N 1 0 398.305 1.541 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCc2ccc(Br)cc21)C(F)(F)F ZINC000655960041 653996788 /nfs/dbraw/zinc/99/67/88/653996788.db2.gz ZKWVXACFZHLOSB-JTQLQIEISA-N 1 0 380.164 1.344 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000656023598 654000008 /nfs/dbraw/zinc/00/00/08/654000008.db2.gz DQJSQPSDXIMSJN-ABAIWWIYSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000656329936 654014883 /nfs/dbraw/zinc/01/48/83/654014883.db2.gz WKIFNVVTASCVCN-BBBLOLIVSA-N 1 0 378.420 1.796 20 0 GDADRO O=C(NCc1cn(Cc2ccccc2Br)nn1)C1CC[NH2+]CC1 ZINC000656439180 654030360 /nfs/dbraw/zinc/03/03/60/654030360.db2.gz MYBRWFPCKJMTAB-UHFFFAOYSA-N 1 0 378.274 1.705 20 0 GDADRO O=C1CO[C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C[C@@H]2N1 ZINC000656587107 654039281 /nfs/dbraw/zinc/03/92/81/654039281.db2.gz KLORRKRLGHWSBZ-ONERCXAPSA-N 1 0 375.252 1.322 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NC[C@H](C)C[NH+]3CCCC3)cc2C1 ZINC000656880508 654062708 /nfs/dbraw/zinc/06/27/08/654062708.db2.gz JQQDWPBVVPLJKZ-ZDUSSCGKSA-N 1 0 385.555 1.663 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ncccc1Br ZINC000656911774 654070472 /nfs/dbraw/zinc/07/04/72/654070472.db2.gz BZQAAAYMCTWRQO-GFCCVEGCSA-N 1 0 392.319 1.359 20 0 GDADRO CO[C@@H](CS(=O)(=O)N1CCC([N@H+](C)CCCO)CC1)C1CCCCC1 ZINC000656913824 654070812 /nfs/dbraw/zinc/07/08/12/654070812.db2.gz OZXONZWLPIVPLZ-SFHVURJKSA-N 1 0 376.563 1.690 20 0 GDADRO CO[C@@H](CS(=O)(=O)NC(C)(C)CCN1CC[NH+](C)CC1)C1CCCC1 ZINC000656962090 654078741 /nfs/dbraw/zinc/07/87/41/654078741.db2.gz VHKWCLZPRZRVPK-KRWDZBQOSA-N 1 0 375.579 1.527 20 0 GDADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ncccc2Br)CCCO1 ZINC000656973674 654082377 /nfs/dbraw/zinc/08/23/77/654082377.db2.gz HHZDHPBJZKFPDW-GFCCVEGCSA-N 1 0 392.319 1.623 20 0 GDADRO Cc1cc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)ccc1Br ZINC000657092208 654108865 /nfs/dbraw/zinc/10/88/65/654108865.db2.gz HZVATYJOBPQIRH-UHFFFAOYSA-N 1 0 392.363 1.919 20 0 GDADRO CCCN1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000657741162 654161214 /nfs/dbraw/zinc/16/12/14/654161214.db2.gz DSHPNIYGAMYZDB-LBPRGKRZSA-N 1 0 376.320 1.670 20 0 GDADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000658028509 654179402 /nfs/dbraw/zinc/17/94/02/654179402.db2.gz WIZUAOFLJJJDAF-CABCVRRESA-N 1 0 376.316 1.909 20 0 GDADRO COC[C@@H](CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000658083846 654181484 /nfs/dbraw/zinc/18/14/84/654181484.db2.gz UFOZCQSTZZMQHB-CMPLNLGQSA-N 1 0 395.319 1.799 20 0 GDADRO CCN(C(=O)C(=O)N1CCc2c1cccc2Br)[C@H]1CC[N@H+](C)C1 ZINC000658359472 654185058 /nfs/dbraw/zinc/18/50/58/654185058.db2.gz ALSNJBNFBVGRMO-LBPRGKRZSA-N 1 0 380.286 1.891 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CCO1 ZINC000658372943 654186253 /nfs/dbraw/zinc/18/62/53/654186253.db2.gz QCJQJJPVUINSQC-QPUJVOFHSA-N 1 0 383.695 1.839 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CCC4(CC[NH2+]C4)CC3)cc2C1 ZINC000658380350 654187571 /nfs/dbraw/zinc/18/75/71/654187571.db2.gz PIILEXCANNUWCO-UHFFFAOYSA-N 1 0 383.539 1.417 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1Br ZINC000658395570 654189351 /nfs/dbraw/zinc/18/93/51/654189351.db2.gz CUBWSKNJYKKKHR-UHFFFAOYSA-N 1 0 391.287 1.578 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(F)c1 ZINC000658402473 654190348 /nfs/dbraw/zinc/19/03/48/654190348.db2.gz PDKXEPHWBLJUJX-GFCCVEGCSA-N 1 0 391.490 1.150 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000658407498 654190684 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383.539 1.625 20 0 GDADRO CC1(C)CN(C(=O)CN2C(=S)N=NC2c2cccs2)CC[N@@H+]1CCO ZINC000781676532 654812658 /nfs/dbraw/zinc/81/26/58/654812658.db2.gz JSQQAIWJMIBZKV-UHFFFAOYSA-N 1 0 381.527 1.210 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000685103117 654813313 /nfs/dbraw/zinc/81/33/13/654813313.db2.gz VCJSQEWCFWQPCM-OAHLLOKOSA-N 1 0 382.302 1.926 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@](C)(CO)C(C)C ZINC000685598650 654822439 /nfs/dbraw/zinc/82/24/39/654822439.db2.gz GPQXSOXTYLHGQN-QGZVFWFLSA-N 1 0 391.555 1.641 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000685636902 654824176 /nfs/dbraw/zinc/82/41/76/654824176.db2.gz LKMBOKXLJRIXCG-LLVKDONJSA-N 1 0 379.404 1.194 20 0 GDADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000749311033 654828335 /nfs/dbraw/zinc/82/83/35/654828335.db2.gz IUQMESUTIKWHIS-UHFFFAOYSA-N 1 0 382.935 1.706 20 0 GDADRO CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000685854298 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CC[NH+](CC)[C@H](CNC(=S)NCCNS(C)(=O)=O)c1ccsc1 ZINC000727074610 654864822 /nfs/dbraw/zinc/86/48/22/654864822.db2.gz LFNFZVYUMKHEAU-CYBMUJFWSA-N 1 0 378.589 1.144 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000751007970 654867983 /nfs/dbraw/zinc/86/79/83/654867983.db2.gz FKFVCGDEYLXGQR-LLVKDONJSA-N 1 0 375.878 1.532 20 0 GDADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc(=O)n(C)cc1Br ZINC000828596041 654874735 /nfs/dbraw/zinc/87/47/35/654874735.db2.gz IOWVZZXESBFPLL-UHFFFAOYSA-N 1 0 398.301 1.332 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000727860029 654879654 /nfs/dbraw/zinc/87/96/54/654879654.db2.gz MVQMBYVNKXWEEZ-GFCCVEGCSA-N 1 0 381.527 1.522 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCSCc2ccnc(Cl)c2)C1 ZINC000828800230 654884277 /nfs/dbraw/zinc/88/42/77/654884277.db2.gz DHCWLTVDDQBJJD-AWEZNQCLSA-N 1 0 384.933 1.685 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000751356582 654884810 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COCCNC(=O)C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000751956669 654913094 /nfs/dbraw/zinc/91/30/94/654913094.db2.gz BSNKNNWEMUGNFV-MRXNPFEDSA-N 1 0 385.302 1.957 20 0 GDADRO C[NH+](C)CCCN(C(=O)C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 ZINC000752063076 654919342 /nfs/dbraw/zinc/91/93/42/654919342.db2.gz JDQJALRZFZTQTI-ZIAGYGMSSA-N 1 0 380.601 1.193 20 0 GDADRO CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000785519483 654919381 /nfs/dbraw/zinc/91/93/81/654919381.db2.gz FVCMBEHUEZHCGK-BZUAXINKSA-N 1 0 385.599 1.720 20 0 GDADRO CO[C@H](C)c1nc(CN2CCCN(C(=S)NCC[NH+](C)C)CC2)cs1 ZINC000752241081 654923887 /nfs/dbraw/zinc/92/38/87/654923887.db2.gz DELNWFOGZYRIFL-CQSZACIVSA-N 1 0 385.603 1.794 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000801513775 654925920 /nfs/dbraw/zinc/92/59/20/654925920.db2.gz QEHTZRVITLXTKK-GJZGRUSLSA-N 1 0 375.535 1.505 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C1(n2cc(Br)cn2)CC1 ZINC000830023066 654926150 /nfs/dbraw/zinc/92/61/50/654926150.db2.gz NIEMWTJTMYQFJA-STQMWFEESA-N 1 0 385.331 1.831 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000752477815 654928941 /nfs/dbraw/zinc/92/89/41/654928941.db2.gz CCAYFUDFLHSHLD-HNNXBMFYSA-N 1 0 382.262 1.072 20 0 GDADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000752481490 654929115 /nfs/dbraw/zinc/92/91/15/654929115.db2.gz NXFFGTFCSYDTCV-WMLDXEAASA-N 1 0 397.317 1.711 20 0 GDADRO CSCCNC(=S)N(CC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000752731757 654934187 /nfs/dbraw/zinc/93/41/87/654934187.db2.gz DHYPDUMFBKFQGJ-HNNXBMFYSA-N 1 0 395.660 1.832 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802008495 654936520 /nfs/dbraw/zinc/93/65/20/654936520.db2.gz LNBTXDGTJPDBAL-KRWDZBQOSA-N 1 0 375.535 1.649 20 0 GDADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000731039688 654941422 /nfs/dbraw/zinc/94/14/22/654941422.db2.gz ZWLGOFMEADPYTR-LLVKDONJSA-N 1 0 379.404 1.808 20 0 GDADRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000786576244 654943616 /nfs/dbraw/zinc/94/36/16/654943616.db2.gz RKGNTVPCENTPTG-AVGNSLFASA-N 1 0 378.516 1.486 20 0 GDADRO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CSCCS1)[NH+]1CCCCCC1 ZINC000786626642 654946950 /nfs/dbraw/zinc/94/69/50/654946950.db2.gz JJUKQSAPOWBRCA-HZPDHXFCSA-N 1 0 387.615 1.968 20 0 GDADRO CCC1N=NC(=S)N1CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000830501441 654947551 /nfs/dbraw/zinc/94/75/51/654947551.db2.gz DXFOFFWELKIBCK-OAHLLOKOSA-N 1 0 398.330 1.882 20 0 GDADRO C[C@@H]([NH3+])CC(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000830517754 654948055 /nfs/dbraw/zinc/94/80/55/654948055.db2.gz HHPIRGBDZWEVSO-LLVKDONJSA-N 1 0 376.429 1.037 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)s1 ZINC000786897411 654954208 /nfs/dbraw/zinc/95/42/08/654954208.db2.gz GXVTVBHLRTWZBZ-CHWSQXEVSA-N 1 0 375.516 1.408 20 0 GDADRO COC(=O)[C@@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)[C@H]1C ZINC000787244277 654961614 /nfs/dbraw/zinc/96/16/14/654961614.db2.gz YEGROJVXAIJFMV-WDEREUQCSA-N 1 0 380.242 2.000 20 0 GDADRO CC[N@@H+]1CCN(C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)C[C@H]1C ZINC000754223985 654968283 /nfs/dbraw/zinc/96/82/83/654968283.db2.gz IVRIFTOHSPBXLZ-CHWSQXEVSA-N 1 0 388.921 1.345 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000803201938 654968939 /nfs/dbraw/zinc/96/89/39/654968939.db2.gz KJJRSAJRTWMOHQ-NSHDSACASA-N 1 0 388.281 1.703 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000803267002 654971306 /nfs/dbraw/zinc/97/13/06/654971306.db2.gz HADAATYBDVRDDH-AWEZNQCLSA-N 1 0 390.527 1.317 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000787762686 654972236 /nfs/dbraw/zinc/97/22/36/654972236.db2.gz MAIJNQUIISOWGY-JSGCOSHPSA-N 1 0 387.274 1.511 20 0 GDADRO [NH3+]CCCCCCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000831143719 654973808 /nfs/dbraw/zinc/97/38/08/654973808.db2.gz XXNDEDPPUXFRRI-UHFFFAOYSA-N 1 0 382.939 1.498 20 0 GDADRO 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COc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000789570153 655026089 /nfs/dbraw/zinc/02/60/89/655026089.db2.gz DZZMOTVNRFLIOX-NSHDSACASA-N 1 0 385.262 1.248 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000789577141 655027076 /nfs/dbraw/zinc/02/70/76/655027076.db2.gz JZPSMBWHVBFYTO-SKDRFNHKSA-N 1 0 397.273 1.390 20 0 GDADRO CCC(=O)N1CCC([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000756898585 655029282 /nfs/dbraw/zinc/02/92/82/655029282.db2.gz QCALHGOUWQHTNL-UHFFFAOYSA-N 1 0 385.452 1.539 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21)[NH+](C)C ZINC000832399709 655029617 /nfs/dbraw/zinc/02/96/17/655029617.db2.gz FOOVPXWHHBIMDP-QMMMGPOBSA-N 1 0 395.710 1.979 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000832405406 655029952 /nfs/dbraw/zinc/02/99/52/655029952.db2.gz HKQJGXYELCPSIF-VIFPVBQESA-N 1 0 379.276 1.464 20 0 GDADRO CN(C)c1nc(Cl)c(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)s1 ZINC000832831067 655054877 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C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000834568845 655073185 /nfs/dbraw/zinc/07/31/85/655073185.db2.gz DQKIUGSSCGAGBR-NWDGAFQWSA-N 1 0 398.139 1.798 20 0 GDADRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000759161971 655078639 /nfs/dbraw/zinc/07/86/39/655078639.db2.gz YNEXTXNVRSYQHN-LBPRGKRZSA-N 1 0 392.543 1.776 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000834813496 655079555 /nfs/dbraw/zinc/07/95/55/655079555.db2.gz OJYCSAADAVODMY-GFCCVEGCSA-N 1 0 388.921 1.379 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000834813552 655079783 /nfs/dbraw/zinc/07/97/83/655079783.db2.gz PULVWHIFHCYWDD-LBPRGKRZSA-N 1 0 389.905 1.218 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)[C@H](CCSC)NS(=O)(=O)/C=C\c1ccccc1 ZINC000834827800 655080338 /nfs/dbraw/zinc/08/03/38/655080338.db2.gz WZZPBCPFHOAHJA-PLLXSZFYSA-N 1 0 385.555 1.552 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000834827999 655080364 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1.803 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000760207794 655104891 /nfs/dbraw/zinc/10/48/91/655104891.db2.gz GYUQIEMGLSQHGK-YNEHKIRRSA-N 1 0 375.560 1.800 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(Br)n1 ZINC000835488635 655105965 /nfs/dbraw/zinc/10/59/65/655105965.db2.gz SKWFOPSVTAUDHL-GFCCVEGCSA-N 1 0 399.289 1.054 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000808334621 655106878 /nfs/dbraw/zinc/10/68/78/655106878.db2.gz ILRFKGZMPVKKGH-UHFFFAOYSA-N 1 0 383.345 1.892 20 0 GDADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@H]1C ZINC000793015034 655106959 /nfs/dbraw/zinc/10/69/59/655106959.db2.gz BOTHYJMHVQIZQF-NTZNESFSSA-N 1 0 386.436 1.868 20 0 GDADRO Cn1nc(Br)cc1C[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000808433626 655109198 /nfs/dbraw/zinc/10/91/98/655109198.db2.gz LDNPRELBQBTQKY-LBPRGKRZSA-N 1 0 399.314 1.735 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)C1 ZINC000760419987 655112237 /nfs/dbraw/zinc/11/22/37/655112237.db2.gz IOQLHVUHYMGYMB-QWHCGFSZSA-N 1 0 388.921 1.250 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000809743202 655136011 /nfs/dbraw/zinc/13/60/11/655136011.db2.gz MMPQUKVAOSAACE-KOLCDFICSA-N 1 0 389.827 1.607 20 0 GDADRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc1I ZINC000761165763 655136214 /nfs/dbraw/zinc/13/62/14/655136214.db2.gz BYVSTKPJFPXTFB-VHSXEESVSA-N 1 0 389.237 1.907 20 0 GDADRO COCC[N@H+](C)CCN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000761197637 655137613 /nfs/dbraw/zinc/13/76/13/655137613.db2.gz AMZREVGSPHIRTO-MRXNPFEDSA-N 1 0 384.274 1.794 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000810045304 655146446 /nfs/dbraw/zinc/14/64/46/655146446.db2.gz KDWXCVUOHCJDLW-HNNXBMFYSA-N 1 0 377.551 1.989 20 0 GDADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000794746124 655152516 /nfs/dbraw/zinc/15/25/16/655152516.db2.gz UDGXDEZBOUYZGI-LSDHHAIUSA-N 1 0 378.535 1.551 20 0 GDADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000810283626 655154602 /nfs/dbraw/zinc/15/46/02/655154602.db2.gz VDTJJWJAYBOMKH-UHFFFAOYSA-N 1 0 381.523 1.747 20 0 GDADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=S)NCC[NH+](C)C ZINC000795039258 655158131 /nfs/dbraw/zinc/15/81/31/655158131.db2.gz URWRVKGUBVYZAQ-UHFFFAOYSA-N 1 0 397.346 1.898 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)/C=C\c2cccc(Br)c2)C1 ZINC000762554186 655169553 /nfs/dbraw/zinc/16/95/53/655169553.db2.gz DKZCVXNZBDEZNC-BMWLXYDHSA-N 1 0 375.288 1.406 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000762714739 655174924 /nfs/dbraw/zinc/17/49/24/655174924.db2.gz CQRWMXLPOXURIO-INIZCTEOSA-N 1 0 381.889 1.070 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000762818388 655177511 /nfs/dbraw/zinc/17/75/11/655177511.db2.gz LFRYTDDRRUNXGF-OAHLLOKOSA-N 1 0 386.246 1.408 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)c1c(Br)nc2n1CCCC2 ZINC000837347400 655178814 /nfs/dbraw/zinc/17/88/14/655178814.db2.gz XVHXGXDBCUKJOS-UHFFFAOYSA-N 1 0 385.306 1.824 20 0 GDADRO COCC[NH+](CCOC)C1CCN(Cn2cc(Br)cn2)CC1 ZINC000795714182 655186086 /nfs/dbraw/zinc/18/60/86/655186086.db2.gz OFXPBLUAIUXUKP-UHFFFAOYSA-N 1 0 375.311 1.662 20 0 GDADRO CCNS(=O)(=O)c1ccc(CNC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000763137989 655186254 /nfs/dbraw/zinc/18/62/54/655186254.db2.gz NYMUVSVCPCNSIB-UHFFFAOYSA-N 1 0 386.587 1.537 20 0 GDADRO CS[C@@H]1CN(C(=O)CN2C(=S)N=NC2c2cccs2)C[C@@H]1[NH+](C)C ZINC000763236688 655189114 /nfs/dbraw/zinc/18/91/14/655189114.db2.gz GJLQDTJUUDACCJ-CMPLNLGQSA-N 1 0 383.568 1.799 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c(F)cc1Cl ZINC000795930858 655196549 /nfs/dbraw/zinc/19/65/49/655196549.db2.gz TZSKYRHGSIHJNL-UHFFFAOYSA-N 1 0 378.853 1.980 20 0 GDADRO O=C(COC(=O)c1ncccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000796094090 655202249 /nfs/dbraw/zinc/20/22/49/655202249.db2.gz KCJHZDHPKWSGPC-UHFFFAOYSA-N 1 0 382.258 1.744 20 0 GDADRO Cc1c(Cl)c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)sc1S(N)(=O)=O ZINC000838147767 655205736 /nfs/dbraw/zinc/20/57/36/655205736.db2.gz DUKPDOIUWPZWJI-JTQLQIEISA-N 1 0 379.935 1.819 20 0 GDADRO C[N@H+](CC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCSC1 ZINC000764327874 655215005 /nfs/dbraw/zinc/21/50/05/655215005.db2.gz YSGDFXYSYDPFLI-TZMCWYRMSA-N 1 0 386.901 1.698 20 0 GDADRO CN(CCC[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl)S(C)(=O)=O ZINC000812824490 655221417 /nfs/dbraw/zinc/22/14/17/655221417.db2.gz RHIWXBWZQVJVPO-UHFFFAOYSA-N 1 0 380.869 1.896 20 0 GDADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]C1CCS(=O)(=O)CC1 ZINC000812838287 655221628 /nfs/dbraw/zinc/22/16/28/655221628.db2.gz ZSNDDKUPRPLVOF-GXTWGEPZSA-N 1 0 376.519 1.914 20 0 GDADRO Cn1ncc(I)c1C(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000797234333 655233666 /nfs/dbraw/zinc/23/36/66/655233666.db2.gz PAFSJKOUFJQKEI-NXEZZACHSA-N 1 0 375.210 1.808 20 0 GDADRO CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000838989934 655235058 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C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2sc(C(=O)OC)cc2Br)C1 ZINC000842713036 655372735 /nfs/dbraw/zinc/37/27/35/655372735.db2.gz XWJINMXJZATDRJ-QMMMGPOBSA-N 1 0 397.316 1.527 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(Br)o1 ZINC000842719584 655373418 /nfs/dbraw/zinc/37/34/18/655373418.db2.gz GSVBLDDLLHHXGU-SFYZADRCSA-N 1 0 381.248 1.187 20 0 GDADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000842736073 655374359 /nfs/dbraw/zinc/37/43/59/655374359.db2.gz AUKGVURMGVQOPL-UHFFFAOYSA-N 1 0 387.527 1.018 20 0 GDADRO Cn1cc([C@@H]2CN(S(=O)(=O)c3c(Cl)ccnc3Cl)C[C@H]2[NH3+])cn1 ZINC000818430835 655374462 /nfs/dbraw/zinc/37/44/62/655374462.db2.gz VMUWWDLORFKUGT-GXSJLCMTSA-N 1 0 376.269 1.237 20 0 GDADRO O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000842763163 655375644 /nfs/dbraw/zinc/37/56/44/655375644.db2.gz MEMFSMSFKXUTRJ-ZDUSSCGKSA-N 1 0 398.428 1.354 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[NH2+]2)ccc1Cl ZINC000818532016 655376245 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391.287 1.607 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000842846105 655380702 /nfs/dbraw/zinc/38/07/02/655380702.db2.gz ISBPDOARYJVOPN-CYBMUJFWSA-N 1 0 381.267 1.956 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000842862433 655381528 /nfs/dbraw/zinc/38/15/28/655381528.db2.gz NOWNCZHRZOPSOV-HNNXBMFYSA-N 1 0 392.930 1.508 20 0 GDADRO C[C@](O)(C[NH2+]CCC(=O)N1CCOCC1)c1ccc(Br)cc1F ZINC000818946626 655381983 /nfs/dbraw/zinc/38/19/83/655381983.db2.gz CWHZRUZQOMYVQI-INIZCTEOSA-N 1 0 389.265 1.634 20 0 GDADRO CN(C)c1ccc(NC(=O)CC[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000818942453 655382032 /nfs/dbraw/zinc/38/20/32/655382032.db2.gz KDAMTLGBRBWGLT-UHFFFAOYSA-N 1 0 382.511 1.580 20 0 GDADRO O=S(=O)(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1c(Cl)nc2ccc(Br)cn21 ZINC000842879936 655382213 /nfs/dbraw/zinc/38/22/13/655382213.db2.gz SWKTWCIYHLHZQZ-MBTKJCJQSA-N 1 0 391.678 1.246 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000842883734 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O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(Br)cc1)NCC1CCC1 ZINC000819049345 655383935 /nfs/dbraw/zinc/38/39/35/655383935.db2.gz UVFJFPDWRSRNNB-OAHLLOKOSA-N 1 0 391.331 1.792 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])ccc1Br ZINC000842918540 655384001 /nfs/dbraw/zinc/38/40/01/655384001.db2.gz UEPBDLCWWCJYHI-IUCAKERBSA-N 1 0 379.276 1.640 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000842918573 655384057 /nfs/dbraw/zinc/38/40/57/655384057.db2.gz ULTVTBPMQBKYPG-DTWKUNHWSA-N 1 0 379.276 1.640 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(F)cc1F)NC[C@H]1CCCCO1 ZINC000819052303 655384089 /nfs/dbraw/zinc/38/40/89/655384089.db2.gz BXZJAGDISYPAOV-CJNGLKHVSA-N 1 0 378.441 1.076 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1)NC[C@H]1CCCCO1 ZINC000819052268 655384156 /nfs/dbraw/zinc/38/41/56/655384156.db2.gz AZFKFIWNUGFQSC-CZUORRHYSA-N 1 0 378.441 1.076 20 0 GDADRO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000819060293 655384391 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O=C1NC(=O)C2(CCC([NH2+]C[C@@H](O)c3ccccc3Br)CC2)N1 ZINC000819309975 655389527 /nfs/dbraw/zinc/38/95/27/655389527.db2.gz QWPKFITWXFMZRH-XNVJVGRKSA-N 1 0 382.258 1.593 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[NH2+]2)sc1Br ZINC000843256762 655390165 /nfs/dbraw/zinc/39/01/65/655390165.db2.gz IRJDNFRWNUAGNE-SSDOTTSWSA-N 1 0 382.305 1.030 20 0 GDADRO [NH3+]CCCCCCNC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000843265303 655390178 /nfs/dbraw/zinc/39/01/78/655390178.db2.gz SHSGMINGMUHCDW-UHFFFAOYSA-N 1 0 382.302 1.969 20 0 GDADRO NC(=O)c1cn(CCCC[NH2+]C[C@H](O)c2ccccc2Br)nn1 ZINC000819375647 655390890 /nfs/dbraw/zinc/39/08/90/655390890.db2.gz QHRHDJVLNSEBCN-AWEZNQCLSA-N 1 0 382.262 1.243 20 0 GDADRO CCCN(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@H]1CC[NH2+]C1 ZINC000843349197 655393369 /nfs/dbraw/zinc/39/33/69/655393369.db2.gz LFHVOYAMRONMOG-LBPRGKRZSA-N 1 0 375.441 1.695 20 0 GDADRO C[C@H]([NH3+])C1CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000843348550 655393372 /nfs/dbraw/zinc/39/33/72/655393372.db2.gz 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O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000843501966 655397032 /nfs/dbraw/zinc/39/70/32/655397032.db2.gz UAFLIAFIOGNAEH-HNNXBMFYSA-N 1 0 392.308 1.626 20 0 GDADRO Cn1c(Cl)ncc1S(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819902051 655398654 /nfs/dbraw/zinc/39/86/54/655398654.db2.gz MIDYVNWHTNUJOU-LSDHHAIUSA-N 1 0 380.901 1.969 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1csc(Br)n1 ZINC000820035221 655401691 /nfs/dbraw/zinc/40/16/91/655401691.db2.gz HLTQONPZKZAQGI-LLVKDONJSA-N 1 0 389.319 1.042 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cnn(C)c1I ZINC000844642939 655412116 /nfs/dbraw/zinc/41/21/16/655412116.db2.gz MHYNAERNGAKWQL-BBBLOLIVSA-N 1 0 376.242 1.578 20 0 GDADRO Cc1c(Br)nccc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844686629 655413136 /nfs/dbraw/zinc/41/31/36/655413136.db2.gz DWDPDSIKJMOFLU-UHFFFAOYSA-N 1 0 384.278 1.390 20 0 GDADRO CSC1(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCOCC1 ZINC000820820999 655417663 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CC(C)[C@@H](CNC(=O)Nc1cc(Br)nn1C)[NH+]1CCN(C)CC1 ZINC000821461587 655430201 /nfs/dbraw/zinc/43/02/01/655430201.db2.gz GLPYDUJURPDPPA-GFCCVEGCSA-N 1 0 387.326 1.576 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@H]1CCO ZINC000845837483 655436515 /nfs/dbraw/zinc/43/65/15/655436515.db2.gz OQFNGWJTIPRAOE-KGLIPLIRSA-N 1 0 375.535 1.158 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000822046266 655439910 /nfs/dbraw/zinc/43/99/10/655439910.db2.gz CTRBIXPBGXTHFG-UHFFFAOYSA-N 1 0 385.306 1.696 20 0 GDADRO [NH3+]CCC1CCN(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000846144398 655448737 /nfs/dbraw/zinc/44/87/37/655448737.db2.gz JACZIMRQOVBKPI-UHFFFAOYSA-N 1 0 382.477 1.021 20 0 GDADRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 ZINC000846229259 655450180 /nfs/dbraw/zinc/45/01/80/655450180.db2.gz JLOPLALLBNOGSA-UHFFFAOYSA-N 1 0 386.901 1.858 20 0 GDADRO [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)NCCC[C@@H]3CC3(Cl)Cl)cc2C1 ZINC000846322986 655452289 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398.305 1.092 20 0 GDADRO O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847168166 655466037 /nfs/dbraw/zinc/46/60/37/655466037.db2.gz UDESIEBROXXILW-KARRYYGYSA-N 1 0 377.388 1.597 20 0 GDADRO O=C(c1cnc(F)c(Br)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000847301870 655467587 /nfs/dbraw/zinc/46/75/87/655467587.db2.gz HTILWOWGWOPBAS-UHFFFAOYSA-N 1 0 385.281 1.837 20 0 GDADRO Brc1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1 ZINC000823832356 655468796 /nfs/dbraw/zinc/46/87/96/655468796.db2.gz NGLJAQHJEJJBKM-ZDUSSCGKSA-N 1 0 393.289 1.930 20 0 GDADRO CC[S@@](=O)CC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000823871694 655468973 /nfs/dbraw/zinc/46/89/73/655468973.db2.gz MUKGVDWNGIWLMD-KPWVOAKYSA-N 1 0 391.331 1.821 20 0 GDADRO Cc1c(Cl)c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)sc1S(N)(=O)=O ZINC000824083910 655471314 /nfs/dbraw/zinc/47/13/14/655471314.db2.gz CVALAWFITRVWMF-BDAKNGLRSA-N 1 0 379.935 1.816 20 0 GDADRO C[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824608990 655477919 /nfs/dbraw/zinc/47/79/19/655477919.db2.gz UBZFXVASNOJZME-GRDNDAEWSA-N 1 0 376.519 1.304 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)NC[C@H](O)c2ccccc2Br)n1 ZINC000848214293 655484777 /nfs/dbraw/zinc/48/47/77/655484777.db2.gz VCPVRJHAMUUVIV-HNNXBMFYSA-N 1 0 381.274 1.671 20 0 GDADRO C[NH2+][C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000848396920 655489133 /nfs/dbraw/zinc/48/91/33/655489133.db2.gz QVBWSUDDHXMJRP-NSHDSACASA-N 1 0 379.404 1.146 20 0 GDADRO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848398698 655489243 /nfs/dbraw/zinc/48/92/43/655489243.db2.gz CQBNDMHXEJBRKS-OCCSQVGLSA-N 1 0 383.436 1.054 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000848546614 655496484 /nfs/dbraw/zinc/49/64/84/655496484.db2.gz DDWMYXZDWYCGIH-ZIAGYGMSSA-N 1 0 378.539 1.244 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)C(F)(F)F ZINC000848595302 655497151 /nfs/dbraw/zinc/49/71/51/655497151.db2.gz LBMHOQBGCCNCKR-GXSJLCMTSA-N 1 0 383.754 1.333 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c1 ZINC000848602205 655497374 /nfs/dbraw/zinc/49/73/74/655497374.db2.gz VFQZZPARJKWPLC-UHFFFAOYSA-N 1 0 385.917 1.934 20 0 GDADRO CSc1nc2ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc2s1 ZINC000848603448 655497383 /nfs/dbraw/zinc/49/73/83/655497383.db2.gz PDKFHHQHOWEGGU-VIFPVBQESA-N 1 0 378.401 1.963 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N=c1sccn1Cc1ccccc1Cl ZINC000826555546 655498721 /nfs/dbraw/zinc/49/87/21/655498721.db2.gz UMZVUBOOLXFEBB-CQSZACIVSA-N 1 0 378.885 1.547 20 0 GDADRO Cc1cc([C@@H]([NH3+])CC(=O)NCCS(=O)(=O)NC(C)(C)C)cc(Cl)n1 ZINC000826884775 655502709 /nfs/dbraw/zinc/50/27/09/655502709.db2.gz KYFRWGACLUQDQD-LBPRGKRZSA-N 1 0 376.910 1.267 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Br)cnc1C1CC1 ZINC000827091627 655505573 /nfs/dbraw/zinc/50/55/73/655505573.db2.gz CXSMZYIUJLTSAA-AWEZNQCLSA-N 1 0 395.301 1.791 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000827367385 655509895 /nfs/dbraw/zinc/50/98/95/655509895.db2.gz VBNJJGYPRQOSLJ-CJNGLKHVSA-N 1 0 385.917 1.561 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cnn(Cc2ccccc2)c1Br ZINC000827749704 655516051 /nfs/dbraw/zinc/51/60/51/655516051.db2.gz NQCGUHRXSJYXQT-AWEZNQCLSA-N 1 0 393.285 1.490 20 0 GDADRO CC(C)NC(=[NH2+])NC[C@@H](O)COc1ccc(I)cc1 ZINC000849072463 655517217 /nfs/dbraw/zinc/51/72/17/655517217.db2.gz HRJZKPPRHAFMCY-LLVKDONJSA-N 1 0 377.226 1.553 20 0 GDADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCn1cc(Br)cn1 ZINC000849114242 655517366 /nfs/dbraw/zinc/51/73/66/655517366.db2.gz ZEHCVUDAGUJHRO-UHFFFAOYSA-N 1 0 375.271 1.284 20 0 GDADRO COC[C@H](C)NC(=[NH2+])NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000849116150 655517470 /nfs/dbraw/zinc/51/74/70/655517470.db2.gz HAVVFRGBNUGPCF-JQWIXIFHSA-N 1 0 376.270 1.888 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=[NH2+])N2CCOCC2)cc1Br ZINC000849115000 655517495 /nfs/dbraw/zinc/51/74/95/655517495.db2.gz AZOMSFFOAQKWON-ZDUSSCGKSA-N 1 0 386.290 1.465 20 0 GDADRO C[NH+](C)[C@@H]1CCN(CCn2cc(COc3cccnc3Br)nn2)C1 ZINC000849140924 655517664 /nfs/dbraw/zinc/51/76/64/655517664.db2.gz WFHKHFJXYAMGOX-CQSZACIVSA-N 1 0 395.305 1.651 20 0 GDADRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=S)NCC2CC[NH+](C)CC2)C1 ZINC000849274702 655521334 /nfs/dbraw/zinc/52/13/34/655521334.db2.gz HBBKKQRRGOOVSO-OLZOCXBDSA-N 1 0 381.464 1.876 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000849424393 655532891 /nfs/dbraw/zinc/53/28/91/655532891.db2.gz YVSVOTRMTBXAJF-ZDUSSCGKSA-N 1 0 387.937 1.538 20 0 GDADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000849428655 655533528 /nfs/dbraw/zinc/53/35/28/655533528.db2.gz COQMMTUXLBFKCP-CQSZACIVSA-N 1 0 392.543 1.119 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCn2cc(Br)cn2)cn1 ZINC000849590562 655542536 /nfs/dbraw/zinc/54/25/36/655542536.db2.gz BZJNSBJLVPCHCU-GJZGRUSLSA-N 1 0 395.305 1.231 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCCn2cc(Br)cn2)cn1 ZINC000849590560 655542551 /nfs/dbraw/zinc/54/25/51/655542551.db2.gz BZJNSBJLVPCHCU-CABCVRRESA-N 1 0 395.305 1.231 20 0 GDADRO C[C@H](O)c1ncc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)s1 ZINC000850351336 655552696 /nfs/dbraw/zinc/55/26/96/655552696.db2.gz MZGROWVOBFAPIN-VIFPVBQESA-N 1 0 385.287 1.874 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cccc2scnc21 ZINC000850586657 655559261 /nfs/dbraw/zinc/55/92/61/655559261.db2.gz BIWPOPOLHJPSCA-GFCCVEGCSA-N 1 0 382.511 1.305 20 0 GDADRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cnc1Cl ZINC000850590035 655559386 /nfs/dbraw/zinc/55/93/86/655559386.db2.gz STGZABNWOFJFOJ-YUTCNCBUSA-N 1 0 389.905 1.793 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)s1 ZINC000850591693 655559519 /nfs/dbraw/zinc/55/95/19/655559519.db2.gz CQGMCPPDGPOXLP-VIFPVBQESA-N 1 0 398.959 1.758 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000850824377 655569030 /nfs/dbraw/zinc/56/90/30/655569030.db2.gz SLJBABBRZNMJCP-RKDXNWHRSA-N 1 0 382.877 1.522 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)CC[NH2+]1 ZINC000850828525 655569223 /nfs/dbraw/zinc/56/92/23/655569223.db2.gz ZAIXWXIHOXIFEU-DTWKUNHWSA-N 1 0 382.877 1.392 20 0 GDADRO [NH3+]C1(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC2(CCC2)C1 ZINC000851629314 655589421 /nfs/dbraw/zinc/58/94/21/655589421.db2.gz FRRLLZPTLIRZCY-UHFFFAOYSA-N 1 0 383.436 1.326 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1Cl ZINC000851648665 655589658 /nfs/dbraw/zinc/58/96/58/655589658.db2.gz MWQLHYVWXUTJPV-ZIAGYGMSSA-N 1 0 391.896 1.882 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000851665815 655590217 /nfs/dbraw/zinc/59/02/17/655590217.db2.gz DLCSJOQDRSUHMB-ZDUSSCGKSA-N 1 0 379.404 1.150 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000851749268 655593163 /nfs/dbraw/zinc/59/31/63/655593163.db2.gz WXJPEUZSMLOJLF-CABCVRRESA-N 1 0 378.406 1.284 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCn3ncc(Br)c3C2)cc1 ZINC000851801971 655595471 /nfs/dbraw/zinc/59/54/71/655595471.db2.gz AQIFOKJYEJMPKT-UHFFFAOYSA-N 1 0 399.314 1.912 20 0 GDADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1nc(C)n(C)c1Br ZINC000851857723 655600225 /nfs/dbraw/zinc/60/02/25/655600225.db2.gz XCNOTACTBSDWTG-UHFFFAOYSA-N 1 0 381.340 1.890 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CCn2cnc(Br)n2)ccc1OCCO ZINC000851897617 655603436 /nfs/dbraw/zinc/60/34/36/655603436.db2.gz QPJHOVORXIOEPN-LLVKDONJSA-N 1 0 385.262 1.771 20 0 GDADRO CCS(=O)(=O)NCCC[N@H+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000852450784 655614353 /nfs/dbraw/zinc/61/43/53/655614353.db2.gz VUCSACIAEVISDM-UHFFFAOYSA-N 1 0 375.535 1.790 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)=NO1 ZINC000852825325 655623525 /nfs/dbraw/zinc/62/35/25/655623525.db2.gz NZNBISABWKIJBE-LLVKDONJSA-N 1 0 379.218 1.131 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000852892593 655625541 /nfs/dbraw/zinc/62/55/41/655625541.db2.gz LTOOGIHOILPRSB-QWHCGFSZSA-N 1 0 385.306 1.850 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)s1 ZINC000853080673 655632183 /nfs/dbraw/zinc/63/21/83/655632183.db2.gz BZLVSXMMLFCLFP-NSHDSACASA-N 1 0 383.289 1.328 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1F ZINC000853081477 655632289 /nfs/dbraw/zinc/63/22/89/655632289.db2.gz RBSGKZPNVJTZMN-QMMMGPOBSA-N 1 0 376.303 1.262 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000853311104 655638223 /nfs/dbraw/zinc/63/82/23/655638223.db2.gz MSVPYONFDRLWHS-CYBMUJFWSA-N 1 0 381.376 1.862 20 0 GDADRO OC1(c2ccc(Br)cc2)CN(c2nccc(N3CCOCC3)n2)C1 ZINC000853972671 655655030 /nfs/dbraw/zinc/65/50/30/655655030.db2.gz KISYRRXFUHSLKW-UHFFFAOYSA-N 1 0 391.269 1.784 20 0 GDADRO C[NH+]1CCN(CCC(C)(C)NC(=O)NCC[S@](=O)CC(F)(F)F)CC1 ZINC000854304967 655660990 /nfs/dbraw/zinc/66/09/90/655660990.db2.gz IKYZZNBOHVVHPU-VWLOTQADSA-N 1 0 386.484 1.013 20 0 GDADRO Cn1nc(Br)cc1NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000854588535 655670506 /nfs/dbraw/zinc/67/05/06/655670506.db2.gz CNMDROLPCJGYGN-MRXNPFEDSA-N 1 0 379.258 1.758 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000854654828 655673474 /nfs/dbraw/zinc/67/34/74/655673474.db2.gz MMZJVLZFODFZGQ-GXFFZTMASA-N 1 0 379.262 1.589 20 0 GDADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000854654830 655673621 /nfs/dbraw/zinc/67/36/21/655673621.db2.gz MMZJVLZFODFZGQ-ZWNOBZJWSA-N 1 0 379.262 1.589 20 0 GDADRO O=C(NCC[S@](=O)CC(F)(F)F)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000855273636 655689181 /nfs/dbraw/zinc/68/91/81/655689181.db2.gz DFNXHCHOUKEMSO-PWECECGKSA-N 1 0 377.432 1.721 20 0 GDADRO Cn1nnc(Br)c1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000855401818 655693075 /nfs/dbraw/zinc/69/30/75/655693075.db2.gz BAWVCAAAMOTNAV-CYBMUJFWSA-N 1 0 394.273 1.074 20 0 GDADRO CCN(C(=O)c1sc(S(N)(=O)=O)c(C)c1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000855489554 655695234 /nfs/dbraw/zinc/69/52/34/655695234.db2.gz ADSHBVYKRMKNAU-JTQLQIEISA-N 1 0 379.935 1.914 20 0 GDADRO O=C(c1c(Br)nc2n1CCCC2)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254402 655710830 /nfs/dbraw/zinc/71/08/30/655710830.db2.gz BGVSMLGJGAABBH-CYBMUJFWSA-N 1 0 397.317 1.653 20 0 GDADRO CC[C@@H]1CN(C(=O)c2ccc(OC)c(I)n2)C[C@H](C)[NH2+]1 ZINC000856407845 655712877 /nfs/dbraw/zinc/71/28/77/655712877.db2.gz DHSJLALWKKHWKG-VHSXEESVSA-N 1 0 389.237 1.907 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2nccn3c(Br)cnc23)CCO1 ZINC000856430050 655713135 /nfs/dbraw/zinc/71/31/35/655713135.db2.gz PTTRCRHFOAFKIT-LBPRGKRZSA-N 1 0 396.289 1.675 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(Cl)cn1 ZINC000856480521 655713866 /nfs/dbraw/zinc/71/38/66/655713866.db2.gz ULBGRNIMDXBQQK-ZDUSSCGKSA-N 1 0 385.917 1.990 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000856745607 655716514 /nfs/dbraw/zinc/71/65/14/655716514.db2.gz VIAUUIFEHSWGJS-GJZGRUSLSA-N 1 0 375.535 1.647 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000856840922 655720312 /nfs/dbraw/zinc/72/03/12/655720312.db2.gz XAYUYSZIRSXTDO-CHWSQXEVSA-N 1 0 379.332 1.812 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000857100726 655727733 /nfs/dbraw/zinc/72/77/33/655727733.db2.gz JXQJZFOYMVUPOE-LURJTMIESA-N 1 0 394.067 1.399 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCCc1ccc(Br)cc1F)C2 ZINC000857103925 655727899 /nfs/dbraw/zinc/72/78/99/655727899.db2.gz GTLDNBQSNLAUIS-SJCJKPOMSA-N 1 0 398.276 1.587 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C2 ZINC000857235089 655731568 /nfs/dbraw/zinc/73/15/68/655731568.db2.gz OJCPWRSLVPRBEL-ZWNOBZJWSA-N 1 0 398.428 1.482 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C2 ZINC000857235816 655731724 /nfs/dbraw/zinc/73/17/24/655731724.db2.gz VRKWUSRMUTZLKX-HZMBPMFUSA-N 1 0 377.388 1.689 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000857336357 655734942 /nfs/dbraw/zinc/73/49/42/655734942.db2.gz MTZGTNHUOXXEFI-UHFFFAOYSA-N 1 0 382.302 1.116 20 0 GDADRO CN(CCOCC[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000858501032 655748885 /nfs/dbraw/zinc/74/88/85/655748885.db2.gz VWXYSYZWKAVZDF-GJZGRUSLSA-N 1 0 378.535 1.815 20 0 GDADRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)C1 ZINC000858585282 655749641 /nfs/dbraw/zinc/74/96/41/655749641.db2.gz DIWLECLTJWPMJD-UXIGCNINSA-N 1 0 376.500 1.240 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)[C@H]1C[NH3+] ZINC000858609163 655750063 /nfs/dbraw/zinc/75/00/63/655750063.db2.gz PODZGWIXQPDBME-MFKMUULPSA-N 1 0 379.404 1.935 20 0 GDADRO CCN(CC[NH3+])S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000858619101 655750753 /nfs/dbraw/zinc/75/07/53/655750753.db2.gz JXPXTGFQLSAECE-UHFFFAOYSA-N 1 0 390.303 1.327 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cc(Br)cnc2Cl)CCOCC1 ZINC000858622589 655750855 /nfs/dbraw/zinc/75/08/55/655750855.db2.gz WTBLXPBBTPKIDE-UHFFFAOYSA-N 1 0 384.683 1.284 20 0 GDADRO Cn1nc(Cl)c(-c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)c1Cl ZINC000858753948 655753072 /nfs/dbraw/zinc/75/30/72/655753072.db2.gz QKSSLUMRDUJGSI-UHFFFAOYSA-N 1 0 387.271 1.872 20 0 GDADRO C[C@@]1(Br)C[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000859203092 655769256 /nfs/dbraw/zinc/76/92/56/655769256.db2.gz ZIAXMZAVTMKATL-RHSMWYFYSA-N 1 0 396.333 1.669 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(Br)cnc2F)CC1 ZINC000860184434 655796096 /nfs/dbraw/zinc/79/60/96/655796096.db2.gz ZJLKPCXCWJJPAL-ZDUSSCGKSA-N 1 0 399.264 1.362 20 0 GDADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc(Br)c(C)n(C)c2=O)C1 ZINC000861352257 655820236 /nfs/dbraw/zinc/82/02/36/655820236.db2.gz MNWPJYXRYUGOCA-BZNIZROVSA-N 1 0 387.274 1.722 20 0 GDADRO CN(CC(F)(F)Br)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000861502693 655823967 /nfs/dbraw/zinc/82/39/67/655823967.db2.gz PJIICKGDMKDEJY-UHFFFAOYSA-N 1 0 392.200 1.553 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C[NH2+]1 ZINC000861524212 655824587 /nfs/dbraw/zinc/82/45/87/655824587.db2.gz AKJWLNGNVWQUOA-DTWKUNHWSA-N 1 0 382.877 1.392 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000861540069 655825327 /nfs/dbraw/zinc/82/53/27/655825327.db2.gz RSOQHZKUUUMOBO-SSDOTTSWSA-N 1 0 393.079 1.956 20 0 GDADRO COc1ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c(I)c1 ZINC000861541739 655825418 /nfs/dbraw/zinc/82/54/18/655825418.db2.gz HFRDYFISDMETEX-QMMMGPOBSA-N 1 0 391.209 1.044 20 0 GDADRO [NH3+]CCCOCCNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000861691863 655828494 /nfs/dbraw/zinc/82/84/94/655828494.db2.gz PTFRRHXULVPCOQ-OAHLLOKOSA-N 1 0 386.290 1.897 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCSC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000861762420 655830238 /nfs/dbraw/zinc/83/02/38/655830238.db2.gz JNPQERROHRNDGL-SFYZADRCSA-N 1 0 381.342 1.341 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(Br)cc2F)C[NH2+]1 ZINC000861771961 655830340 /nfs/dbraw/zinc/83/03/40/655830340.db2.gz LYOVKUPCJMJKSA-GXFFZTMASA-N 1 0 386.265 1.504 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000861772011 655830381 /nfs/dbraw/zinc/83/03/81/655830381.db2.gz NEAIVDBEVDZQTI-YMTOWFKASA-N 1 0 386.265 1.961 20 0 GDADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000862513314 655847005 /nfs/dbraw/zinc/84/70/05/655847005.db2.gz RDDORVHEJMKENT-ILXRZTDVSA-N 1 0 376.519 1.568 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000862647200 655850538 /nfs/dbraw/zinc/85/05/38/655850538.db2.gz DNFWQYPERHMQSL-JTQLQIEISA-N 1 0 378.782 1.823 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=S)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000863231078 655863412 /nfs/dbraw/zinc/86/34/12/655863412.db2.gz YXURARGYMJBKJP-HNNXBMFYSA-N 1 0 382.555 1.315 20 0 GDADRO COc1cc(/C=C\C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc(Br)c1O ZINC000863324671 655865895 /nfs/dbraw/zinc/86/58/95/655865895.db2.gz GHBUDGOODOCFNN-ZZKXABKFSA-N 1 0 385.258 1.359 20 0 GDADRO C[C@](O)(C[NH2+]CCN1CC[C@@H](O)C1)c1ccc(Br)cc1Cl ZINC000863583180 655876811 /nfs/dbraw/zinc/87/68/11/655876811.db2.gz PAUZQEUWHYJNMB-DOMZBBRYSA-N 1 0 377.710 1.966 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000863773979 655880542 /nfs/dbraw/zinc/88/05/42/655880542.db2.gz NFAZQMLBXMMHES-SECBINFHSA-N 1 0 378.420 1.674 20 0 GDADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c(Br)nc4n3CCOC4)C[C@@]2(C)C1 ZINC000864078574 655889613 /nfs/dbraw/zinc/88/96/13/655889613.db2.gz XRUAYBOZIIPRTG-IYBDPMFKSA-N 1 0 383.290 1.590 20 0 GDADRO CC(C)n1ncc(C(=O)NC2CC[NH+](C)CC2)c1I ZINC000864596596 655903017 /nfs/dbraw/zinc/90/30/17/655903017.db2.gz WIDIPPKGQCQSMU-UHFFFAOYSA-N 1 0 376.242 1.893 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)Cn2ccc(Br)cc2=O)C[C@@H](C)O1 ZINC000864668582 655904005 /nfs/dbraw/zinc/90/40/05/655904005.db2.gz RARMHRZCMDCKDT-CHWSQXEVSA-N 1 0 386.290 1.226 20 0 GDADRO COCCc1ncc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)s1 ZINC000865459355 655920148 /nfs/dbraw/zinc/92/01/48/655920148.db2.gz FGTNSHMWDRLWAI-UHFFFAOYSA-N 1 0 383.486 1.686 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000865576308 655922178 /nfs/dbraw/zinc/92/21/78/655922178.db2.gz IPQDSIBNNRMFHJ-NSHDSACASA-N 1 0 388.253 1.725 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865724192 655925050 /nfs/dbraw/zinc/92/50/50/655925050.db2.gz KFPMSISZEBDLEX-GFCCVEGCSA-N 1 0 381.420 1.977 20 0 GDADRO COc1cc(C[NH2+]C[C@H](O)[C@H](C)O)cc(I)c1OC ZINC000865740104 655925592 /nfs/dbraw/zinc/92/55/92/655925592.db2.gz BKPDMLIBSIMZNW-KWQFWETISA-N 1 0 381.210 1.140 20 0 GDADRO Cn1nc(Br)cc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000865747688 655925752 /nfs/dbraw/zinc/92/57/52/655925752.db2.gz PQGQZWGQSCJVNK-NWDGAFQWSA-N 1 0 389.294 1.643 20 0 GDADRO COc1ccc(C[NH2+]C[C@@]23COCCN2C(=O)COC3)cc1Br ZINC000865800709 655927226 /nfs/dbraw/zinc/92/72/26/655927226.db2.gz MJPOGMOAUZWPHD-INIZCTEOSA-N 1 0 385.258 1.175 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ncc(C3OCCO3)s2)cc1 ZINC000865817562 655927730 /nfs/dbraw/zinc/92/77/30/655927730.db2.gz DAFMQJOVRCDURR-UHFFFAOYSA-N 1 0 383.495 1.429 20 0 GDADRO CN1CC[NH+](C2CCN(c3ccc(I)cn3)CC2)CC1 ZINC000866212281 655936232 /nfs/dbraw/zinc/93/62/32/655936232.db2.gz QTZWIZAWXKTEOG-UHFFFAOYSA-N 1 0 386.281 1.902 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000866222447 655936402 /nfs/dbraw/zinc/93/64/02/655936402.db2.gz DQMMHJXJWKDYPG-ARFHVFGLSA-N 1 0 379.298 1.908 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CC2(F)F)CCSC1 ZINC000866333386 655937894 /nfs/dbraw/zinc/93/78/94/655937894.db2.gz JHSJGRCWGRFRLZ-LSDHHAIUSA-N 1 0 379.473 1.842 20 0 GDADRO CC1CC[NH+](CCNS(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000866498284 655947464 /nfs/dbraw/zinc/94/74/64/655947464.db2.gz UZUBWHHYKFVJCK-UHFFFAOYSA-N 1 0 375.535 1.505 20 0 GDADRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(Br)ncc1F ZINC000866552238 655948967 /nfs/dbraw/zinc/94/89/67/655948967.db2.gz HGIKIBZXVYYWSM-MEBBXXQBSA-N 1 0 388.237 1.262 20 0 GDADRO CN1CCO[C@H]([C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000866570902 655950050 /nfs/dbraw/zinc/95/00/50/655950050.db2.gz RLRDTAYZEUXPNO-HOTGVXAUSA-N 1 0 389.949 1.616 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000866602346 655951430 /nfs/dbraw/zinc/95/14/30/655951430.db2.gz HJVRLKSPABYABN-NSHDSACASA-N 1 0 377.304 1.971 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000866632253 655952003 /nfs/dbraw/zinc/95/20/03/655952003.db2.gz WEJVBMQFGVZEFG-UHFFFAOYSA-N 1 0 377.226 1.800 20 0 GDADRO C[C@H](c1ncc(Br)cn1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711112 655955997 /nfs/dbraw/zinc/95/59/97/655955997.db2.gz CFMCCOYTPDWOEA-MGAJPHDKSA-N 1 0 382.262 1.167 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)Cc2ccc(F)cc2Cl)C1 ZINC000866711365 655956000 /nfs/dbraw/zinc/95/60/00/655956000.db2.gz JDXUDYJHVBMOIO-LBPRGKRZSA-N 1 0 391.896 1.486 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2c(F)cccc2Br)C1 ZINC000866714703 655956301 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COc1cccc(Br)c1CS(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000866765894 655960513 /nfs/dbraw/zinc/96/05/13/655960513.db2.gz DAPDKPVKKWJVCP-SMDDNHRTSA-N 1 0 389.315 1.971 20 0 GDADRO Cn1cc(S(=O)(=O)N[C@@H](CCC[NH3+])c2ccccc2)c(Br)n1 ZINC000866769774 655961088 /nfs/dbraw/zinc/96/10/88/655961088.db2.gz PAZQFCSLVKLOLD-LBPRGKRZSA-N 1 0 387.303 1.941 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)C[C@@]3(C)CC3(Cl)Cl)CC2)C1 ZINC000866792794 655964312 /nfs/dbraw/zinc/96/43/12/655964312.db2.gz APLXGCGWUFBCSM-ZIAGYGMSSA-N 1 0 384.373 1.612 20 0 GDADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1cccc(I)c1 ZINC000866796045 655964549 /nfs/dbraw/zinc/96/45/49/655964549.db2.gz TYOYZAWXNWVLRS-UHFFFAOYSA-N 1 0 392.262 1.936 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1F ZINC000866797055 655964638 /nfs/dbraw/zinc/96/46/38/655964638.db2.gz ONWVFHBHKXBQDQ-SNVBAGLBSA-N 1 0 376.425 1.808 20 0 GDADRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000866803679 655965482 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O=C(NCc1cnc(Br)cn1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000923321596 656544501 /nfs/dbraw/zinc/54/45/01/656544501.db2.gz HGOFYYLOLCUPEH-ZDUSSCGKSA-N 1 0 384.278 1.292 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000923353685 656546981 /nfs/dbraw/zinc/54/69/81/656546981.db2.gz LETRJJBBFNRBGY-FZMZJTMJSA-N 1 0 377.268 1.570 20 0 GDADRO CO[C@@H]1CN(C[C@H](O)COc2cc(F)cc(Br)c2)[C@](C)(C[NH3+])C1 ZINC000923411549 656550807 /nfs/dbraw/zinc/55/08/07/656550807.db2.gz NCHYZYPNAFLMRO-BPUTZDHNSA-N 1 0 391.281 1.766 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923414153 656551366 /nfs/dbraw/zinc/55/13/66/656551366.db2.gz KNHCHHLGYWEKRC-FWYOQMDTSA-N 1 0 386.279 1.894 20 0 GDADRO C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@H]1C ZINC000923421553 656551772 /nfs/dbraw/zinc/55/17/72/656551772.db2.gz CSSQUNRABMSQDZ-QKPAOTATSA-N 1 0 375.579 1.436 20 0 GDADRO [NH3+]C[C@@H]1CC2(CO1)CCN(CC(=O)Nc1ccc(Br)cn1)CC2 ZINC000923448238 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GDADRO O=C(Cn1ccc(Br)cc1=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000877010132 656645823 /nfs/dbraw/zinc/64/58/23/656645823.db2.gz MPQQRYLXLJSKTD-LSDHHAIUSA-N 1 0 376.254 1.483 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000877022659 656646638 /nfs/dbraw/zinc/64/66/38/656646638.db2.gz PKXYKOKWIMNMBD-QWHCGFSZSA-N 1 0 375.878 1.392 20 0 GDADRO O=C(C=C1CC[NH2+]CC1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877031571 656647714 /nfs/dbraw/zinc/64/77/14/656647714.db2.gz YIICSFLBTOGKBY-OAHLLOKOSA-N 1 0 378.270 1.980 20 0 GDADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877031569 656647767 /nfs/dbraw/zinc/64/77/67/656647767.db2.gz YGXPQQJFJCDPLG-ZLKJLUDKSA-N 1 0 384.249 1.618 20 0 GDADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000877040587 656648670 /nfs/dbraw/zinc/64/86/70/656648670.db2.gz DQXBOEPXKLNNGK-GFCCVEGCSA-N 1 0 379.258 1.661 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C[NH2+]1 ZINC000877049798 656649812 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[NH3+]CC12CCC(CC1)N2C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000877185085 656659242 /nfs/dbraw/zinc/65/92/42/656659242.db2.gz XTLWHDSTUFOVLA-UHFFFAOYSA-N 1 0 377.246 1.521 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000877242542 656660409 /nfs/dbraw/zinc/66/04/09/656660409.db2.gz SCRWSNBQYBVZBS-CFVMTHIKSA-N 1 0 380.286 1.794 20 0 GDADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000877258908 656661365 /nfs/dbraw/zinc/66/13/65/656661365.db2.gz VFVGREXZSOKSOD-QGZVFWFLSA-N 1 0 387.933 1.842 20 0 GDADRO C[C@H]1CN(C(=O)NCc2cn(C)nc2Br)CCN1c1cc[nH+]cc1 ZINC000924564362 656662708 /nfs/dbraw/zinc/66/27/08/656662708.db2.gz MNKVKGHFCBOALM-LBPRGKRZSA-N 1 0 393.289 1.998 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285074 656664036 /nfs/dbraw/zinc/66/40/36/656664036.db2.gz QNQXCWOCJZEZRP-DCAQKATOSA-N 1 0 386.315 1.982 20 0 GDADRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000877339050 656667997 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CC[C@H](Sc1nc(CC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)cs1)C(N)=O ZINC000884455462 657358702 /nfs/dbraw/zinc/35/87/02/657358702.db2.gz MBJOQAYZUCYCLT-AAEUAGOBSA-N 1 0 384.571 1.936 20 0 GDADRO Brc1ccccc1-n1nnnc1C[NH2+][C@H]1CCOC12CCOCC2 ZINC000934405864 657360378 /nfs/dbraw/zinc/36/03/78/657360378.db2.gz MKPWFCWCWHFANQ-AWEZNQCLSA-N 1 0 394.273 1.853 20 0 GDADRO O=C(NCCOc1ccccc1Cl)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884501099 657361811 /nfs/dbraw/zinc/36/18/11/657361811.db2.gz YYSLIYKQOGAAKQ-NSHDSACASA-N 1 0 375.803 1.196 20 0 GDADRO CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000884511718 657362249 /nfs/dbraw/zinc/36/22/49/657362249.db2.gz OGYRSFGHNWCKNY-CYBMUJFWSA-N 1 0 397.317 1.388 20 0 GDADRO C[C@](CO)([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1cccc(Br)c1 ZINC000934493282 657362721 /nfs/dbraw/zinc/36/27/21/657362721.db2.gz BKUJSNZMKVYADT-QZTJIDSGSA-N 1 0 393.281 1.619 20 0 GDADRO C[C@@](CO)([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000934497880 657363990 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C[NH+](C)CC(C)(C)CNC(=S)NCCCc1ccc(S(N)(=O)=O)cc1 ZINC000899678720 659042465 /nfs/dbraw/zinc/04/24/65/659042465.db2.gz BUTYNMQULKXZRC-UHFFFAOYSA-N 1 0 386.587 1.319 20 0 GDADRO C[N@H+](CCO)CCNC(=O)c1scc(Br)c1Br ZINC000899742097 659058317 /nfs/dbraw/zinc/05/83/17/659058317.db2.gz YSEFELQRUYRHGQ-UHFFFAOYSA-N 1 0 386.109 1.927 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000900299619 659098452 /nfs/dbraw/zinc/09/84/52/659098452.db2.gz IHSOTEFLERQAHI-XCRHUMRWSA-N 1 0 396.329 1.847 20 0 GDADRO COCC[N@@H+]1CCCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900374161 659102880 /nfs/dbraw/zinc/10/28/80/659102880.db2.gz NOCZBBQWBFTWLR-UHFFFAOYSA-N 1 0 382.262 1.286 20 0 GDADRO COC(=O)[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000900430127 659106733 /nfs/dbraw/zinc/10/67/33/659106733.db2.gz PKFDPJIBHVSHFW-RDJZCZTQSA-N 1 0 399.285 1.626 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ncc(Br)cn2n1 ZINC000900581436 659124267 /nfs/dbraw/zinc/12/42/67/659124267.db2.gz 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OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2CN1C(=S)N=NC1Cc1cccs1 ZINC000902641766 659269592 /nfs/dbraw/zinc/26/95/92/659269592.db2.gz AUJHETZLNSQAFW-HUUCEWRRSA-N 1 0 379.555 1.708 20 0 GDADRO C[C@@H]1[C@H]([NH2+]CCCN2CCCS2(=O)=O)CCCN1C(=O)OC(C)(C)C ZINC000902857603 659282380 /nfs/dbraw/zinc/28/23/80/659282380.db2.gz TUNAXUFAZXLDGL-HUUCEWRRSA-N 1 0 375.535 1.790 20 0 GDADRO CCS(=O)(=O)NC1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000903005508 659288628 /nfs/dbraw/zinc/28/86/28/659288628.db2.gz YBTXKOLAOJXBOK-AWEZNQCLSA-N 1 0 376.906 1.483 20 0 GDADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000903174805 659298935 /nfs/dbraw/zinc/29/89/35/659298935.db2.gz JZBMXCJGQLWDMM-DLBZAZTESA-N 1 0 388.555 1.523 20 0 GDADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903512788 659322104 /nfs/dbraw/zinc/32/21/04/659322104.db2.gz HYRAFKMMJMVURM-SNVBAGLBSA-N 1 0 377.260 1.301 20 0 GDADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903513268 659322556 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C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000903529356 659330901 /nfs/dbraw/zinc/33/09/01/659330901.db2.gz YNDZXWZIJSESFQ-DAXOMENPSA-N 1 0 385.917 1.472 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c(Cl)s1 ZINC000903537116 659332801 /nfs/dbraw/zinc/33/28/01/659332801.db2.gz NUXTUHSPUHBNGX-ZANVPECISA-N 1 0 398.959 1.697 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903539947 659333824 /nfs/dbraw/zinc/33/38/24/659333824.db2.gz RVELHJZCIKRFBG-KOLCDFICSA-N 1 0 391.287 1.370 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)Cc1cccc(F)c1Br ZINC000903542734 659334758 /nfs/dbraw/zinc/33/47/58/659334758.db2.gz XZALBSLCKKJZPF-UHFFFAOYSA-N 1 0 395.294 1.858 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c(Cl)c1 ZINC000903543321 659335187 /nfs/dbraw/zinc/33/51/87/659335187.db2.gz XONMZOKMIYVVFI-UHFFFAOYSA-N 1 0 376.862 1.255 20 0 GDADRO COc1cc(S(=O)(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)cnc1Cl ZINC000903544514 659335218 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GDADRO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000903553673 659338920 /nfs/dbraw/zinc/33/89/20/659338920.db2.gz ASSRBLHJNZGPSW-CYBMUJFWSA-N 1 0 391.287 1.497 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1C(F)(F)F ZINC000903563593 659342230 /nfs/dbraw/zinc/34/22/30/659342230.db2.gz AYBLCAJHCUMMON-OXHMUOHRSA-N 1 0 378.372 1.663 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCN2CCC([NH3+])CC2)c(Br)c1 ZINC000903566131 659343545 /nfs/dbraw/zinc/34/35/45/659343545.db2.gz JEIQQIIHXOUCNH-UHFFFAOYSA-N 1 0 376.320 1.459 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Cl ZINC000903572551 659345508 /nfs/dbraw/zinc/34/55/08/659345508.db2.gz WUDQDABZYZQFCH-MWLCHTKSSA-N 1 0 386.779 1.637 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000903573561 659346014 /nfs/dbraw/zinc/34/60/14/659346014.db2.gz AQPNPSANFSKUEJ-LBPRGKRZSA-N 1 0 390.889 1.898 20 0 GDADRO COC(=O)c1c(F)cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903578611 659349495 /nfs/dbraw/zinc/34/94/95/659349495.db2.gz INQOPJLEFQEKBC-PSASIEDQSA-N 1 0 384.351 1.513 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000903583064 659353261 /nfs/dbraw/zinc/35/32/61/659353261.db2.gz BHCXAONCNYIVCJ-IINYFYTJSA-N 1 0 377.388 1.689 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1Br ZINC000903584622 659353775 /nfs/dbraw/zinc/35/37/75/659353775.db2.gz QOJCKJSQOBZGTI-CYBMUJFWSA-N 1 0 393.303 1.824 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000903585942 659353976 /nfs/dbraw/zinc/35/39/76/659353976.db2.gz ALGJSUJGPIEGPF-UONOGXRCSA-N 1 0 390.303 1.299 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903587049 659354432 /nfs/dbraw/zinc/35/44/32/659354432.db2.gz NUOGXIGQGLBUEO-LBPRGKRZSA-N 1 0 381.267 1.955 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000903586721 659354508 /nfs/dbraw/zinc/35/45/08/659354508.db2.gz VRRGCQHTEHZCTF-ZWNOBZJWSA-N 1 0 398.428 1.482 20 0 GDADRO Cc1c(Cl)cccc1N1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000903590934 659356341 /nfs/dbraw/zinc/35/63/41/659356341.db2.gz AAQAKHNQCOFDST-UHFFFAOYSA-N 1 0 386.949 1.699 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000903590694 659356402 /nfs/dbraw/zinc/35/64/02/659356402.db2.gz YQAMIMTXHHUNKF-QMTHXVAHSA-N 1 0 380.438 1.185 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc1Br ZINC000903591969 659356717 /nfs/dbraw/zinc/35/67/17/659356717.db2.gz JZOPFNKJSOKPOF-YGRLFVJLSA-N 1 0 375.288 1.960 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903791667 659380675 /nfs/dbraw/zinc/38/06/75/659380675.db2.gz JDJGIOYIDNQSPH-JQWIXIFHSA-N 1 0 398.276 1.669 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C[C@H]1[NH3+] ZINC000903800434 659381349 /nfs/dbraw/zinc/38/13/49/659381349.db2.gz IUSUXKNZUIFDME-UONOGXRCSA-N 1 0 395.301 1.703 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)CC[C@@H]1[NH3+] ZINC000903801208 659381584 /nfs/dbraw/zinc/38/15/84/659381584.db2.gz MXCZHXVJDHHCGF-UGFHNGPFSA-N 1 0 395.301 1.703 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903801381 659381714 /nfs/dbraw/zinc/38/17/14/659381714.db2.gz NWJWSDRPNSUZSK-YWPYICTPSA-N 1 0 395.301 1.703 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000903830837 659382980 /nfs/dbraw/zinc/38/29/80/659382980.db2.gz MBJVRPRLYQVTTQ-AWEZNQCLSA-N 1 0 381.274 1.267 20 0 GDADRO Cn1ncc(-c2noc(-c3ccnc(N4CC[NH2+]CC4)c3)n2)c1Br ZINC000904112214 659395535 /nfs/dbraw/zinc/39/55/35/659395535.db2.gz ZBHQEYGGANDCGC-UHFFFAOYSA-N 1 0 390.245 1.704 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Br)o3)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904112582 659395936 /nfs/dbraw/zinc/39/59/36/659395936.db2.gz ITEIMPVWMVMRES-QXFUBDJGSA-N 1 0 388.243 1.267 20 0 GDADRO C[C@]1(Cc2noc(C[C@@H]3CS(=O)(=O)[C@H]4C[NH2+]C[C@@H]43)n2)CC1(Cl)Cl ZINC000904123554 659396296 /nfs/dbraw/zinc/39/62/96/659396296.db2.gz OXONDNVYWXXCHN-DNJQJEMRSA-N 1 0 380.297 1.371 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000904541517 659403368 /nfs/dbraw/zinc/40/33/68/659403368.db2.gz XNJSCGUIDIADID-JTQLQIEISA-N 1 0 399.245 1.232 20 0 GDADRO COCCOCCOc1ccc(NC(=O)NC[C@@H](C)[NH3+])cc1Br ZINC000904544899 659403430 /nfs/dbraw/zinc/40/34/30/659403430.db2.gz ADMAQGUIHSTFFZ-LLVKDONJSA-N 1 0 390.278 1.960 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000904998871 659416245 /nfs/dbraw/zinc/41/62/45/659416245.db2.gz DQLMTBYASSPNSG-GUYCJALGSA-N 1 0 380.286 1.747 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905006752 659416865 /nfs/dbraw/zinc/41/68/65/659416865.db2.gz FBSJDKSDORBTKG-NHYWBVRUSA-N 1 0 386.315 1.809 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CCSC(F)(F)F)CCC1 ZINC000905050872 659419331 /nfs/dbraw/zinc/41/93/31/659419331.db2.gz QZGFIHFUBRLUDP-SNVBAGLBSA-N 1 0 378.482 1.831 20 0 GDADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]C[C@H](O)c2ccc(Br)cc2)C1=O ZINC000905148284 659427274 /nfs/dbraw/zinc/42/72/74/659427274.db2.gz OBKBSCRSPRZZEC-HACGYAERSA-N 1 0 396.285 1.793 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccc(Cl)s1 ZINC000905182770 659430588 /nfs/dbraw/zinc/43/05/88/659430588.db2.gz YNNZSSUZGOMTRE-GFCCVEGCSA-N 1 0 396.962 1.716 20 0 GDADRO CO[C@@H](CC[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C(F)(F)F ZINC000905227161 659434477 /nfs/dbraw/zinc/43/44/77/659434477.db2.gz CDYHJOQHZKVQFH-RYUDHWBXSA-N 1 0 390.468 1.545 20 0 GDADRO O=C1[C@H]([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CCN1c1cccc(Br)c1 ZINC000905238697 659435802 /nfs/dbraw/zinc/43/58/02/659435802.db2.gz VLJGCWMACNLWBC-BFYDXBDKSA-N 1 0 399.285 1.046 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000905346067 659444921 /nfs/dbraw/zinc/44/49/21/659444921.db2.gz MVHJPQMHRLRHLB-LBPRGKRZSA-N 1 0 378.420 1.962 20 0 GDADRO CC(C)[C@H](O)C1(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905367322 659448249 /nfs/dbraw/zinc/44/82/49/659448249.db2.gz SDEREDGXIBQDAI-GJZGRUSLSA-N 1 0 376.563 1.375 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905372037 659449158 /nfs/dbraw/zinc/44/91/58/659449158.db2.gz MVEBYLPRWSCUHN-MLGOLLRUSA-N 1 0 388.302 1.474 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC[C@@H](O)C2CCCC2)CCC1 ZINC000905406713 659451292 /nfs/dbraw/zinc/45/12/92/659451292.db2.gz BHDKSKPIYZPLTD-HZPDHXFCSA-N 1 0 376.563 1.519 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905426293 659451986 /nfs/dbraw/zinc/45/19/86/659451986.db2.gz HNTPIXCWTHMCKS-JTQLQIEISA-N 1 0 382.395 1.775 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000905477789 659456480 /nfs/dbraw/zinc/45/64/80/659456480.db2.gz HRKNXZUJGDZXFD-ZDUSSCGKSA-N 1 0 377.304 1.496 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905510427 659460560 /nfs/dbraw/zinc/46/05/60/659460560.db2.gz VWZYVOBVBDVFFZ-XHDPSFHLSA-N 1 0 386.461 1.016 20 0 GDADRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1cn(C)nc1Br ZINC000905520551 659461206 /nfs/dbraw/zinc/46/12/06/659461206.db2.gz IXSUDXCCFHXDCF-AWEZNQCLSA-N 1 0 384.274 1.859 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)CCC1 ZINC000905522067 659461496 /nfs/dbraw/zinc/46/14/96/659461496.db2.gz URAOTURDIJQJQY-HNNXBMFYSA-N 1 0 376.563 1.663 20 0 GDADRO CCN1CCC[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1=O ZINC000905548988 659463849 /nfs/dbraw/zinc/46/38/49/659463849.db2.gz DQOOOTBLPNSEPA-ZFWWWQNUSA-N 1 0 389.265 1.928 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CCOC2CCSCC2)CCC1 ZINC000905706833 659478602 /nfs/dbraw/zinc/47/86/02/659478602.db2.gz VTHPEPVOXYXWBT-OAHLLOKOSA-N 1 0 394.603 1.490 20 0 GDADRO C=Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000906066646 659516472 /nfs/dbraw/zinc/51/64/72/659516472.db2.gz DXNXZIOEIXFAED-MRXNPFEDSA-N 1 0 386.539 1.459 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000906072160 659517729 /nfs/dbraw/zinc/51/77/29/659517729.db2.gz LATUKBCJBJJBGG-VOIUYBSRSA-N 1 0 386.543 1.745 20 0 GDADRO Cn1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(I)n1 ZINC000906457934 659542941 /nfs/dbraw/zinc/54/29/41/659542941.db2.gz BXFRVDRFASTOPF-NSHDSACASA-N 1 0 388.253 1.725 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Br)cn(C3CC3)c2=O)n1 ZINC000906463798 659544381 /nfs/dbraw/zinc/54/43/81/659544381.db2.gz HROJVKXWYDSBAK-UHFFFAOYSA-N 1 0 394.273 1.956 20 0 GDADRO Cn1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c(I)n1 ZINC000906483144 659546671 /nfs/dbraw/zinc/54/66/71/659546671.db2.gz COHYXHVGEHYHEO-UHFFFAOYSA-N 1 0 388.213 1.035 20 0 GDADRO CN(C(=O)c1nscc1I)[C@H]1C[NH+]2CCC1CC2 ZINC000906648619 659565081 /nfs/dbraw/zinc/56/50/81/659565081.db2.gz UDNYEJQIPCLDKQ-JTQLQIEISA-N 1 0 377.251 1.914 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(OCCOC)c(Br)c1 ZINC000906672652 659568078 /nfs/dbraw/zinc/56/80/78/659568078.db2.gz YWCFHQMUJUZLNL-UHFFFAOYSA-N 1 0 388.262 1.139 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC000906677218 659568984 /nfs/dbraw/zinc/56/89/84/659568984.db2.gz WRHPBQNBQWDKFP-CYBMUJFWSA-N 1 0 389.543 1.563 20 0 GDADRO COCCOc1ccc(NC(=O)C(=O)N(C)CCC[NH3+])cc1Br ZINC000906676637 659569086 /nfs/dbraw/zinc/56/90/86/659569086.db2.gz VSUKSRMEFFFBHY-UHFFFAOYSA-N 1 0 388.262 1.220 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906679592 659569795 /nfs/dbraw/zinc/56/97/95/659569795.db2.gz VACZQFXJPVEJBA-UHFFFAOYSA-N 1 0 379.873 1.535 20 0 GDADRO O=C(Nc1cccc2cc(Br)cnc21)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906728503 659577144 /nfs/dbraw/zinc/57/71/44/659577144.db2.gz VLHFUYKPXINGHX-MBNYWOFBSA-N 1 0 389.253 1.945 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)c1 ZINC000906742308 659578984 /nfs/dbraw/zinc/57/89/84/659578984.db2.gz UKVQVEHCRLDXHV-OTCDBFHCSA-N 1 0 387.221 1.392 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)ccc1Br ZINC000906778102 659585673 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COC(=O)c1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)oc1Cl ZINC000907209981 659699609 /nfs/dbraw/zinc/69/96/09/659699609.db2.gz KBAJZYPPJGCBDH-HNNXBMFYSA-N 1 0 376.862 1.826 20 0 GDADRO COC(=O)CCN1CCN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)[C@@H](C)C1 ZINC000907219231 659701014 /nfs/dbraw/zinc/70/10/14/659701014.db2.gz OLNLNHSDPKFIJJ-UWVGGRQHSA-N 1 0 375.680 1.203 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC000907222165 659701970 /nfs/dbraw/zinc/70/19/70/659701970.db2.gz YLXPYCIQHDPCBE-UHFFFAOYSA-N 1 0 375.516 1.127 20 0 GDADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCc2ncc(Br)n2C1 ZINC000907276544 659715287 /nfs/dbraw/zinc/71/52/87/659715287.db2.gz OXFRJGUSTXQFHS-GFCCVEGCSA-N 1 0 385.306 1.435 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)nc12 ZINC000907374105 659740708 /nfs/dbraw/zinc/74/07/08/659740708.db2.gz MGTBMWBXDCBIHQ-BBRMVZONSA-N 1 0 381.274 1.477 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1F ZINC000907564773 659784896 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Cc1cc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)sn1 ZINC001571272323 945659965 /nfs/dbraw/zinc/65/99/65/945659965.db2.gz RVWUQARBUAYHQN-QWHCGFSZSA-N 1 0 386.485 1.791 20 0 GDADRO Cc1nn(C)cc1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571272534 945665346 /nfs/dbraw/zinc/66/53/46/945665346.db2.gz VSVVZLODSPUVDF-UHFFFAOYSA-N 1 0 386.485 1.365 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCCN1C(=O)CC(C)(C)O ZINC001571272570 945665867 /nfs/dbraw/zinc/66/58/67/945665867.db2.gz XAUSSSWOTWHNSE-PBHICJAKSA-N 1 0 386.500 1.887 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)[C@H](C)C2)n1 ZINC001571272540 945665970 /nfs/dbraw/zinc/66/59/70/945665970.db2.gz VWYKEVUMDJVSTB-NEPJUHHUSA-N 1 0 386.485 1.743 20 0 GDADRO Cc1nn(C)cc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@@H]1C ZINC001571272689 945669145 /nfs/dbraw/zinc/66/91/45/945669145.db2.gz YGYDOWSVZNBHMQ-SMDDNHRTSA-N 1 0 386.485 1.363 20 0 GDADRO Cn1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1Cl ZINC001571274123 945693140 /nfs/dbraw/zinc/69/31/40/945693140.db2.gz BPVZJOGGOGOKHL-BETUJISGSA-N 1 0 386.847 1.304 20 0 GDADRO Cn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1Cl ZINC001571274619 945698584 /nfs/dbraw/zinc/69/85/84/945698584.db2.gz JBUAMHRBZHEDEP-ZDUSSCGKSA-N 1 0 386.847 1.258 20 0 GDADRO O=C(Cn1cc(Cl)cn1)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571275136 945703234 /nfs/dbraw/zinc/70/32/34/945703234.db2.gz QCUXRIXURGSORZ-OAHLLOKOSA-N 1 0 386.847 1.107 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821596389 945734199 /nfs/dbraw/zinc/73/41/99/945734199.db2.gz IOLCJMUOSKFINW-INIZCTEOSA-N 1 0 390.513 1.360 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]CCc2c(F)cccc2F)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571278062 945748744 /nfs/dbraw/zinc/74/87/44/945748744.db2.gz VFWBGPREENHWAF-XYPYZODXSA-N 1 0 387.394 1.566 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821623787 945752570 /nfs/dbraw/zinc/75/25/70/945752570.db2.gz SLOXCULIFXZQOJ-OCCSQVGLSA-N 1 0 375.502 1.307 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC001571278494 945754097 /nfs/dbraw/zinc/75/40/97/945754097.db2.gz OGJSPKXPBGODEO-LPHOPBHVSA-N 1 0 386.456 1.135 20 0 GDADRO COCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC001571278664 945757728 /nfs/dbraw/zinc/75/77/28/945757728.db2.gz QKLQJFAHJVNHPS-HOTGVXAUSA-N 1 0 386.456 1.087 20 0 GDADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2cscn2)C1 ZINC001571279593 945781748 /nfs/dbraw/zinc/78/17/48/945781748.db2.gz SMPBCCJALJXGRZ-ZDUSSCGKSA-N 1 0 387.444 1.809 20 0 GDADRO Cc1nnsc1C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571281655 945808897 /nfs/dbraw/zinc/80/88/97/945808897.db2.gz KUMFBUHKOCOQMJ-NSHDSACASA-N 1 0 387.473 1.139 20 0 GDADRO CC1(C)CO[C@@H](C[NH2+][C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2(C)C)C1 ZINC001571281981 945822688 /nfs/dbraw/zinc/82/26/88/945822688.db2.gz QOAWBONRMNLIOW-DOMZBBRYSA-N 1 0 387.488 1.450 20 0 GDADRO Cc1ncc(CC(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@@H](C)C2)o1 ZINC001571282196 945832671 /nfs/dbraw/zinc/83/26/71/945832671.db2.gz UFGGIGHMPHIHNI-HZMBPMFUSA-N 1 0 387.469 1.404 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571282962 945868225 /nfs/dbraw/zinc/86/82/25/945868225.db2.gz WSCUAPXCGMIBKN-QGZVFWFLSA-N 1 0 387.463 1.181 20 0 GDADRO O=C(Cc1cncs1)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571283009 945872742 /nfs/dbraw/zinc/87/27/42/945872742.db2.gz XYMCHYFUIRBNNM-HAQNSBGRSA-N 1 0 387.444 1.442 20 0 GDADRO CC(=O)N[C@@](C)(C(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573455307 945881542 /nfs/dbraw/zinc/88/15/42/945881542.db2.gz CGTINOOQAMHNQI-BFUOFWGJSA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573460797 945918268 /nfs/dbraw/zinc/91/82/68/945918268.db2.gz MBNKROIXJMJQAF-QWHCGFSZSA-N 1 0 387.488 1.154 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C1CCOCC1 ZINC001571287194 945967801 /nfs/dbraw/zinc/96/78/01/945967801.db2.gz AEPAEMADVPTPLO-CTYIDZIISA-N 1 0 388.447 1.417 20 0 GDADRO CCO[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287182 945968310 /nfs/dbraw/zinc/96/83/10/945968310.db2.gz AAJJSBDRUDNUOQ-CYHLAULCSA-N 1 0 388.447 1.415 20 0 GDADRO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287183 945968663 /nfs/dbraw/zinc/96/86/63/945968663.db2.gz AAJJSBDRUDNUOQ-JIRONKKISA-N 1 0 388.447 1.415 20 0 GDADRO CCO[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287660 945978680 /nfs/dbraw/zinc/97/86/80/945978680.db2.gz HFHAAUAJISGOND-GZIXRCOHSA-N 1 0 388.447 1.415 20 0 GDADRO O=C(c1cnsn1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287988 945981306 /nfs/dbraw/zinc/98/13/06/945981306.db2.gz KRLCYWWEHPIQGO-GFCCVEGCSA-N 1 0 388.432 1.252 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CN(C(=O)CC2CC2)CCO1 ZINC001571288235 945982819 /nfs/dbraw/zinc/98/28/19/945982819.db2.gz MXAQTUYLLFNBLB-SJCJKPOMSA-N 1 0 388.447 1.511 20 0 GDADRO CO[C@@H](C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571288286 945986955 /nfs/dbraw/zinc/98/69/55/945986955.db2.gz NHGZLSUWRUNMTF-ORAYPTAESA-N 1 0 388.447 1.465 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)OC ZINC001571289533 946010473 /nfs/dbraw/zinc/01/04/73/946010473.db2.gz GXLRMIXYBUKKDL-CZUORRHYSA-N 1 0 388.472 1.381 20 0 GDADRO COc1ncc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1-c1nn[nH]n1 ZINC001571289754 946017695 /nfs/dbraw/zinc/01/76/95/946017695.db2.gz LVQXFWXQKAAQPW-UHFFFAOYSA-N 1 0 388.476 1.856 20 0 GDADRO COc1cc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C)sn1 ZINC001571289992 946027117 /nfs/dbraw/zinc/02/71/17/946027117.db2.gz RXPSDKFEHUVPCS-CABZTGNLSA-N 1 0 388.457 1.053 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571290520 946045242 /nfs/dbraw/zinc/04/52/42/946045242.db2.gz HXIORFAGUATWMK-ZJUUUORDSA-N 1 0 388.819 1.288 20 0 GDADRO O=S1(=O)C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)Oc2ccccc21 ZINC001571292458 946095691 /nfs/dbraw/zinc/09/56/91/946095691.db2.gz ZTCYNLBNVHGWOF-LBPRGKRZSA-N 1 0 389.412 1.330 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCc2cccnc21 ZINC001571294946 946150578 /nfs/dbraw/zinc/15/05/78/946150578.db2.gz MRVMSEATZXWSCB-QZTJIDSGSA-N 1 0 389.463 1.682 20 0 GDADRO Cn1cc(C[C@H]2CC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC000822673940 946152083 /nfs/dbraw/zinc/15/20/83/946152083.db2.gz HCYSUIKWRXDMKL-CQSZACIVSA-N 1 0 380.456 1.493 20 0 GDADRO O=C(c1ncccn1)N1CCC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571298220 946207859 /nfs/dbraw/zinc/20/78/59/946207859.db2.gz KEYOBXRYZPFIGM-DOTOQJQBSA-N 1 0 390.451 1.393 20 0 GDADRO CC(C)(O)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571298438 946215697 /nfs/dbraw/zinc/21/56/97/946215697.db2.gz NUDHPZTZEDVMOO-ZDUSSCGKSA-N 1 0 390.463 1.495 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC001571298742 946228316 /nfs/dbraw/zinc/22/83/16/946228316.db2.gz CVCBPNQORWNHJN-CQSZACIVSA-N 1 0 390.879 1.094 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnc(C2CC2)nc1 ZINC001571298959 946236598 /nfs/dbraw/zinc/23/65/98/946236598.db2.gz SDEVKMXSVSMADZ-QGZVFWFLSA-N 1 0 390.451 1.538 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001571299107 946240153 /nfs/dbraw/zinc/24/01/53/946240153.db2.gz IPTSNAJATWYUQD-UMVBOHGHSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1CCCO1 ZINC001571299380 946247565 /nfs/dbraw/zinc/24/75/65/946247565.db2.gz LXBKHPNWTONAEH-PWNZVWSESA-N 1 0 390.513 1.728 20 0 GDADRO CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299371 946249889 /nfs/dbraw/zinc/24/98/89/946249889.db2.gz LRWXKYVHQBPBSS-UMVBOHGHSA-N 1 0 390.513 1.681 20 0 GDADRO O=C(N[C@]12CCC[C@H]1C[N@@H+](CC1CC(F)(F)C1)C2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571301868 946285524 /nfs/dbraw/zinc/28/55/24/946285524.db2.gz GLXJETKBSDGGAX-SJCJKPOMSA-N 1 0 391.426 1.824 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)[C@H]3COc4ccccc43)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571302932 946317395 /nfs/dbraw/zinc/31/73/95/946317395.db2.gz DSKRYSYDRCYBHF-CJNGLKHVSA-N 1 0 391.435 1.181 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3ccc4c(c3)COC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571302996 946321735 /nfs/dbraw/zinc/32/17/35/946321735.db2.gz GXWWPPHYBDGEKZ-MRXNPFEDSA-N 1 0 391.435 1.349 20 0 GDADRO O=C(c1cccnn1)N1CCC2(C1)CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001571303699 946345167 /nfs/dbraw/zinc/34/51/67/946345167.db2.gz VRVHXRRSRDVEAO-UHFFFAOYSA-N 1 0 391.439 1.184 20 0 GDADRO C[C@H](NC(=O)c1csc(=O)[nH]1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571306346 946398183 /nfs/dbraw/zinc/39/81/83/946398183.db2.gz TWLTVWMRRKDUFJ-QMMMGPOBSA-N 1 0 391.482 1.341 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)CCc1ccccn1 ZINC001571306987 946414950 /nfs/dbraw/zinc/41/49/50/946414950.db2.gz SQHFNBCKHPOLES-HNAYVOBHSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncc1 ZINC001571307131 946418872 /nfs/dbraw/zinc/41/88/72/946418872.db2.gz XQWQSOFVQJANFO-KXBFYZLASA-N 1 0 391.479 1.974 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CC2(F)F)cc1-c1nn[nH]n1 ZINC001571307525 946423547 /nfs/dbraw/zinc/42/35/47/946423547.db2.gz DESRVUKMOLOFCS-GXTWGEPZSA-N 1 0 392.410 1.611 20 0 GDADRO O=C1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1CCOc1ccccc1 ZINC000823519465 946442710 /nfs/dbraw/zinc/44/27/10/946442710.db2.gz FZPDUYXDZICKFF-KRWDZBQOSA-N 1 0 378.436 1.636 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCCN1C(=O)c1ccncn1 ZINC001571311365 946485186 /nfs/dbraw/zinc/48/51/86/946485186.db2.gz WGBMWMKLORXDMM-KSSFIOAISA-N 1 0 392.467 1.830 20 0 GDADRO CN(C(=O)c1c[nH]nc1C1CC1)C1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571313017 946507640 /nfs/dbraw/zinc/50/76/40/946507640.db2.gz HULBUFKQMBSKGA-UHFFFAOYSA-N 1 0 392.467 1.860 20 0 GDADRO C[C@H]1CN(C(=O)CCc2cncnc2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571313211 946515885 /nfs/dbraw/zinc/51/58/85/946515885.db2.gz KCSVTZSANKTUBS-KSSFIOAISA-N 1 0 392.467 1.226 20 0 GDADRO CCn1cnc(C(=O)N2CC3(C2)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C3)c1 ZINC001571313294 946518473 /nfs/dbraw/zinc/51/84/73/946518473.db2.gz LWAAVQNGWDKGNS-UHFFFAOYSA-N 1 0 392.467 1.431 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571313499 946524037 /nfs/dbraw/zinc/52/40/37/946524037.db2.gz QKLOWLKRRAHJHG-KPZWWZAWSA-N 1 0 392.467 1.718 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571313548 946526476 /nfs/dbraw/zinc/52/64/76/946526476.db2.gz RMXNMSWVRKHFGK-PBHICJAKSA-N 1 0 392.467 1.545 20 0 GDADRO CCc1ccc(CC(=O)N2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C)nc1 ZINC001571314033 946539334 /nfs/dbraw/zinc/53/93/34/946539334.db2.gz YYGKBAHDXSKJGF-CJNGLKHVSA-N 1 0 392.467 1.285 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2ccccn2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571313997 946540011 /nfs/dbraw/zinc/54/00/11/946540011.db2.gz YPLUPFUHRCTBLO-CABCVRRESA-N 1 0 392.467 1.218 20 0 GDADRO Cc1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)nn1 ZINC001571315605 946554726 /nfs/dbraw/zinc/55/47/26/946554726.db2.gz MECMQCDFIMHHLT-FQEVSTJZSA-N 1 0 392.467 1.668 20 0 GDADRO Cc1cc(N2C[C@@H]3CN(C(=O)c4cccn4C)C[C@]3(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316183 946568694 /nfs/dbraw/zinc/56/86/94/946568694.db2.gz VQEZGVGDKWFAOW-VLIAUNLRSA-N 1 0 392.467 1.507 20 0 GDADRO Cc1ccnc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571316468 946576723 /nfs/dbraw/zinc/57/67/23/946576723.db2.gz DAVCIUKMPPLAKH-RHSMWYFYSA-N 1 0 392.467 1.748 20 0 GDADRO Cc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571316556 946580031 /nfs/dbraw/zinc/58/00/31/946580031.db2.gz GFIYMGWLGNKMKP-JXFKEZNVSA-N 1 0 392.467 1.683 20 0 GDADRO Cc1cnc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@H](C)C2)cn1 ZINC001571316843 946589095 /nfs/dbraw/zinc/58/90/95/946589095.db2.gz OANQWCYIPQOKAS-CXAGYDPISA-N 1 0 392.467 1.463 20 0 GDADRO Cc1cnc(C(=O)N[C@@]2(C)CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571316921 946592453 /nfs/dbraw/zinc/59/24/53/946592453.db2.gz QBIZVSVQDUWBNX-FQEVSTJZSA-N 1 0 392.467 1.981 20 0 GDADRO Cc1ncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)n1C ZINC001571316959 946594388 /nfs/dbraw/zinc/59/43/88/946594388.db2.gz QLWJOTGDHHBBCU-OSYLJGHBSA-N 1 0 392.467 1.016 20 0 GDADRO Cc1nccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571317058 946598739 /nfs/dbraw/zinc/59/87/39/946598739.db2.gz UIYVZBNGWFNUNM-IAGOWNOFSA-N 1 0 392.467 1.653 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCn2ccnc2C1 ZINC001571317150 946602353 /nfs/dbraw/zinc/60/23/53/946602353.db2.gz WREMTJZSCFGCLI-GDBMZVCRSA-N 1 0 392.467 1.016 20 0 GDADRO Cc1ccc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1-c1nn[nH]n1 ZINC001571317395 946608932 /nfs/dbraw/zinc/60/89/32/946608932.db2.gz FYYKXCRWPMJPKB-UHFFFAOYSA-N 1 0 392.872 1.766 20 0 GDADRO CC(C)(O)C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824173025 946611099 /nfs/dbraw/zinc/61/10/99/946611099.db2.gz VNYNKGNDCOQRLY-GOSISDBHSA-N 1 0 397.479 1.880 20 0 GDADRO Cc1nsc(NC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)c1-c1nn[nH]n1 ZINC001571317778 946620519 /nfs/dbraw/zinc/62/05/19/946620519.db2.gz VRCUGXSRHNQJNG-AWEZNQCLSA-N 1 0 392.533 1.621 20 0 GDADRO CC[C@@H](C(=O)N1CC[C@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1)[NH+](C)C ZINC001571317951 946623765 /nfs/dbraw/zinc/62/37/65/946623765.db2.gz ZVJXCUOTUPMALK-RISCZKNCSA-N 1 0 392.895 1.516 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ncc2n1CCCC2 ZINC001571317953 946623894 /nfs/dbraw/zinc/62/38/94/946623894.db2.gz ZXMQPQUOLSVZSV-MRXNPFEDSA-N 1 0 392.467 1.404 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCSCc1ccccc1-c1nn[nH]n1 ZINC000824412839 946692503 /nfs/dbraw/zinc/69/25/03/946692503.db2.gz GUVMWKQZQDGZEO-AWEZNQCLSA-N 1 0 390.513 1.184 20 0 GDADRO CC(=O)N[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573536582 946738324 /nfs/dbraw/zinc/73/83/24/946738324.db2.gz YCGCGFLIFVDFQN-CXAGYDPISA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)N[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(C)C ZINC001573540929 946780735 /nfs/dbraw/zinc/78/07/35/946780735.db2.gz LCRKGGMBRFCOHW-BLLLJJGKSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(=O)NC(C)(C)C ZINC000824547008 946788522 /nfs/dbraw/zinc/78/85/22/946788522.db2.gz MFAZESWZEJWIQU-AWEZNQCLSA-N 1 0 385.516 1.724 20 0 GDADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824599250 946850827 /nfs/dbraw/zinc/85/08/27/946850827.db2.gz MTCCRZIOSGWHRT-CQSZACIVSA-N 1 0 386.481 1.637 20 0 GDADRO C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824859280 946952945 /nfs/dbraw/zinc/95/29/45/946952945.db2.gz PJMBWYXMKJUZCB-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO CCCC[N@H+](C)CC1CCN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 ZINC000825282184 947141138 /nfs/dbraw/zinc/14/11/38/947141138.db2.gz PUUYOURRCXBPQY-UHFFFAOYSA-N 1 0 375.477 1.676 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825341368 947158735 /nfs/dbraw/zinc/15/87/35/947158735.db2.gz AUBJRVZQUYTXOH-CYBMUJFWSA-N 1 0 378.502 1.722 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCCOCC1 ZINC000825866257 947349965 /nfs/dbraw/zinc/34/99/65/947349965.db2.gz UHMKDVQJOAWWHE-QGZVFWFLSA-N 1 0 387.488 1.509 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)ccc1=O ZINC000825870441 947351352 /nfs/dbraw/zinc/35/13/52/947351352.db2.gz MORGBYNDCRDFKI-VQHVLOKHSA-N 1 0 379.424 1.242 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573593694 947375772 /nfs/dbraw/zinc/37/57/72/947375772.db2.gz UVGNEIUMRKIQLP-WFASDCNBSA-N 1 0 390.463 1.303 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029800 947410213 /nfs/dbraw/zinc/41/02/13/947410213.db2.gz XAYMPAOKCNZMLL-MAUKXSAKSA-N 1 0 383.500 1.636 20 0 GDADRO C=Cc1ccc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001573350718 947601980 /nfs/dbraw/zinc/60/19/80/947601980.db2.gz DRWACMSDUVRCHG-IBGZPJMESA-N 1 0 392.463 1.732 20 0 GDADRO COc1cc[nH+]c(N2CCN(c3nc4ccccn4c3-c3nn[nH]n3)CC2)c1 ZINC000826220981 947655482 /nfs/dbraw/zinc/65/54/82/947655482.db2.gz JJCLRWDIPACKNV-UHFFFAOYSA-N 1 0 377.412 1.245 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnn(C)c1 ZINC001573625979 947704504 /nfs/dbraw/zinc/70/45/04/947704504.db2.gz RBNOIQHDWWSREI-WCQYABFASA-N 1 0 386.485 1.156 20 0 GDADRO C[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573625639 947704597 /nfs/dbraw/zinc/70/45/97/947704597.db2.gz PUKLOZXAHUPFFH-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573626248 947707256 /nfs/dbraw/zinc/70/72/56/947707256.db2.gz SHEUHEAJARIVOW-CZUORRHYSA-N 1 0 380.456 1.094 20 0 GDADRO CC(=O)CCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573367777 947763607 /nfs/dbraw/zinc/76/36/07/947763607.db2.gz IEANJXUDKDBQPZ-GFCCVEGCSA-N 1 0 376.436 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@](C)(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573369864 947778721 /nfs/dbraw/zinc/77/87/21/947778721.db2.gz YPDJEAOYAUFIFU-LJQANCHMSA-N 1 0 385.472 1.402 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001573373122 947789034 /nfs/dbraw/zinc/78/90/34/947789034.db2.gz AZSQRGRGCOWDAB-CVEARBPZSA-N 1 0 383.456 1.282 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC001573373767 947799281 /nfs/dbraw/zinc/79/92/81/947799281.db2.gz LJOOZSKGJKTQIR-KBXCAEBGSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573373949 947802033 /nfs/dbraw/zinc/80/20/33/947802033.db2.gz HFWCQXLUAZKSPP-HNNXBMFYSA-N 1 0 385.472 1.805 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC001573374112 947804810 /nfs/dbraw/zinc/80/48/10/947804810.db2.gz MNORZMUSTVWOHO-KBXCAEBGSA-N 1 0 384.484 1.953 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@](CO)([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573632108 947809956 /nfs/dbraw/zinc/80/99/56/947809956.db2.gz YZRHWZGJVXJXAE-VLIAUNLRSA-N 1 0 384.484 1.356 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573375654 947822521 /nfs/dbraw/zinc/82/25/21/947822521.db2.gz SRKGLILWLAQWBT-KRWDZBQOSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001573376182 947832649 /nfs/dbraw/zinc/83/26/49/947832649.db2.gz SQVBDAXPPLAWDC-GOEBONIOSA-N 1 0 385.472 1.803 20 0 GDADRO C[C@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1CCCCCC1 ZINC001573638368 947837582 /nfs/dbraw/zinc/83/75/82/947837582.db2.gz LPDQQKHJAYORBS-MRXNPFEDSA-N 1 0 383.500 1.780 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C(C)(C)C ZINC001573644072 947867008 /nfs/dbraw/zinc/86/70/08/947867008.db2.gz XTFJOHBFTNCDCT-QWHCGFSZSA-N 1 0 392.529 1.927 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccc1 ZINC001573645849 947871708 /nfs/dbraw/zinc/87/17/08/947871708.db2.gz BVHFFDDXDJPCTP-ZYSHUDEJSA-N 1 0 391.479 1.962 20 0 GDADRO Cc1ccnc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1-c1nn[nH]n1 ZINC000826313145 947910668 /nfs/dbraw/zinc/91/06/68/947910668.db2.gz XCCZDMLXSRHNOS-IAGOWNOFSA-N 1 0 379.468 1.865 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cccn1 ZINC001573652177 947931136 /nfs/dbraw/zinc/93/11/36/947931136.db2.gz VRRWHOBVEDYRFN-QGPMSJSTSA-N 1 0 392.467 1.357 20 0 GDADRO Cc1onc(CC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826343403 947990358 /nfs/dbraw/zinc/99/03/58/947990358.db2.gz ZHEMUBCDTBOUDJ-MRXNPFEDSA-N 1 0 395.467 1.829 20 0 GDADRO Cc1onc(CC(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1-c1nn[nH]n1 ZINC000826343545 947993872 /nfs/dbraw/zinc/99/38/72/947993872.db2.gz FSQHXAGXPXFSSB-LBPRGKRZSA-N 1 0 383.412 1.061 20 0 GDADRO Cc1onc(CC(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1-c1nn[nH]n1 ZINC000826343668 947995908 /nfs/dbraw/zinc/99/59/08/947995908.db2.gz JOENNPMQGJNCAD-UHFFFAOYSA-N 1 0 397.483 1.729 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573670688 948104228 /nfs/dbraw/zinc/10/42/28/948104228.db2.gz CVKZTXJLMXQBKG-GUYCJALGSA-N 1 0 380.456 1.094 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCc3nccn3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361383 948131089 /nfs/dbraw/zinc/13/10/89/948131089.db2.gz VKERDHCNACMKCN-INIZCTEOSA-N 1 0 375.440 1.568 20 0 GDADRO C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)n1cccn1 ZINC001573678439 948150564 /nfs/dbraw/zinc/15/05/64/948150564.db2.gz DXKIFKZWUZTECV-CXAGYDPISA-N 1 0 380.456 1.309 20 0 GDADRO C[C@H](C(=O)NC1CN(Cc2ccccc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573680450 948180118 /nfs/dbraw/zinc/18/01/18/948180118.db2.gz QBIRQMADHSWGJK-OAHLLOKOSA-N 1 0 383.500 1.432 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccsc1 ZINC001573680710 948185246 /nfs/dbraw/zinc/18/52/46/948185246.db2.gz PTDOTEVHBWBMTJ-LRDDRELGSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC001573690250 948222999 /nfs/dbraw/zinc/22/29/99/948222999.db2.gz BWRIUVONASPEAV-DOMZBBRYSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)[C@H]1CCCO1 ZINC001573690809 948229752 /nfs/dbraw/zinc/22/97/52/948229752.db2.gz BLPBTWIHGJSKDC-MLGOLLRUSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCC1)[C@H]1CCCO1 ZINC001573690831 948230587 /nfs/dbraw/zinc/23/05/87/948230587.db2.gz BXOVFMMEAYAULM-GXTWGEPZSA-N 1 0 390.513 1.872 20 0 GDADRO C[C@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccc(F)c1 ZINC001573692112 948256832 /nfs/dbraw/zinc/25/68/32/948256832.db2.gz LSTAINKLRPZOPV-LBPRGKRZSA-N 1 0 381.415 1.687 20 0 GDADRO O=C(N[C@@H]1CCCOCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826431341 948281790 /nfs/dbraw/zinc/28/17/90/948281790.db2.gz YVIMSUREWQDUMZ-GOSISDBHSA-N 1 0 399.499 1.653 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cccs1 ZINC001573694431 948294538 /nfs/dbraw/zinc/29/45/38/948294538.db2.gz VMCPHBSOSISXSG-GHMZBOCLSA-N 1 0 392.510 1.360 20 0 GDADRO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C1CCC1 ZINC001573694640 948295870 /nfs/dbraw/zinc/29/58/70/948295870.db2.gz CRMDXVOGXKVTPH-SGTLLEGYSA-N 1 0 390.513 1.417 20 0 GDADRO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001573695567 948307806 /nfs/dbraw/zinc/30/78/06/948307806.db2.gz HGSGXLQAIOALHZ-VLIAUNLRSA-N 1 0 384.484 1.356 20 0 GDADRO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476090 948377077 /nfs/dbraw/zinc/37/70/77/948377077.db2.gz AMOPMHIZUBSURL-HGHGUNKESA-N 1 0 396.495 1.989 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@H](C3OCCO3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476562 948381618 /nfs/dbraw/zinc/38/16/18/948381618.db2.gz KLGPLYFKHBLAQV-NVXWUHKLSA-N 1 0 398.467 1.447 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCC1(F)F)C1CC1 ZINC001573707000 948428558 /nfs/dbraw/zinc/42/85/58/948428558.db2.gz MAGOSSQDGMYAOB-AAEUAGOBSA-N 1 0 391.426 1.886 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573714016 948468458 /nfs/dbraw/zinc/46/84/58/948468458.db2.gz CQLSQMZAFMMJOT-BLLLJJGKSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)n1cccn1 ZINC001573718047 948514553 /nfs/dbraw/zinc/51/45/53/948514553.db2.gz GYRCSDCLBSXFNM-CQSZACIVSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC001573721574 948541534 /nfs/dbraw/zinc/54/15/34/948541534.db2.gz YONDCRVKGPUBHZ-NSHDSACASA-N 1 0 387.394 1.896 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573747349 948689549 /nfs/dbraw/zinc/68/95/49/948689549.db2.gz NUESCILNZGAENQ-DOPJRALCSA-N 1 0 377.452 1.802 20 0 GDADRO CC(C)c1ccc(C(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001574416490 948749743 /nfs/dbraw/zinc/74/97/43/948749743.db2.gz VNELJMBTTSMZHP-HNNXBMFYSA-N 1 0 392.467 1.919 20 0 GDADRO C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574915767 948769905 /nfs/dbraw/zinc/76/99/05/948769905.db2.gz XPXKXAGWIWBIBJ-CYBMUJFWSA-N 1 0 381.440 1.194 20 0 GDADRO C[C@H](CNC(=O)CCc1ccon1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574917521 948825319 /nfs/dbraw/zinc/82/53/19/948825319.db2.gz ZHICCKAOSCADPX-GFCCVEGCSA-N 1 0 387.419 1.563 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCC1)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001574918130 948838559 /nfs/dbraw/zinc/83/85/59/948838559.db2.gz GCUCDRWKEBONEE-CYBMUJFWSA-N 1 0 390.467 1.441 20 0 GDADRO C[C@@H](CCNc1nc(Cl)c(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574684023 948853972 /nfs/dbraw/zinc/85/39/72/948853972.db2.gz AFSUNHNEWIGOKC-DTWKUNHWSA-N 1 0 384.897 1.378 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573764330 948883917 /nfs/dbraw/zinc/88/39/17/948883917.db2.gz NAYNQDHOECYYCS-OAHLLOKOSA-N 1 0 377.452 1.674 20 0 GDADRO C[C@H](CNC(=O)CCc1cncs1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574920012 948884077 /nfs/dbraw/zinc/88/40/77/948884077.db2.gz AGAGIVHDYVWWFL-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO C[C@@H](CNC(=O)CCc1cscn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920489 948906366 /nfs/dbraw/zinc/90/63/66/948906366.db2.gz MIXAUTBNBCYLDZ-NSHDSACASA-N 1 0 391.526 1.954 20 0 GDADRO CC(C)(C(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1)[NH+]1CCCC1 ZINC001573765414 948908288 /nfs/dbraw/zinc/90/82/88/948908288.db2.gz DJOBBJGKHVZSGJ-UHFFFAOYSA-N 1 0 387.463 1.529 20 0 GDADRO CC(C)(C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001573765444 948909678 /nfs/dbraw/zinc/90/96/78/948909678.db2.gz GFCGVLWTAASERI-CYBMUJFWSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574685978 948926727 /nfs/dbraw/zinc/92/67/27/948926727.db2.gz CKXXHHNIYLMRMC-AGIUHOORSA-N 1 0 390.467 1.438 20 0 GDADRO C[C@H](CNC(=O)CCn1cccn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923237 948941717 /nfs/dbraw/zinc/94/17/17/948941717.db2.gz IDNHOBPAXRXISF-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575241208 948976446 /nfs/dbraw/zinc/97/64/46/948976446.db2.gz CQQJPERHGNBEDK-CMPLNLGQSA-N 1 0 385.394 1.630 20 0 GDADRO CC(C)c1nnc(C[NH2+]CCCN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)s1 ZINC001574435260 948992618 /nfs/dbraw/zinc/99/26/18/948992618.db2.gz RDBADDUJKGZHTB-UHFFFAOYSA-N 1 0 389.489 1.422 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926441 949001535 /nfs/dbraw/zinc/00/15/35/949001535.db2.gz QIZSWIISDHKIQD-ZDUSSCGKSA-N 1 0 389.479 1.427 20 0 GDADRO CC(C)[C@H]1C[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCO1 ZINC001574091339 949012275 /nfs/dbraw/zinc/01/22/75/949012275.db2.gz KELBIMSIAITRLU-UKRRQHHQSA-N 1 0 392.529 1.927 20 0 GDADRO C[C@@H](Oc1cccnc1)C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575501471 949012983 /nfs/dbraw/zinc/01/29/83/949012983.db2.gz HWWVSESTTSNLOH-CQSZACIVSA-N 1 0 381.440 1.277 20 0 GDADRO C[C@H](CNC(=O)C[NH+]1CCCC1)N(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926714 949017355 /nfs/dbraw/zinc/01/73/55/949017355.db2.gz VRGWMWSPHFGKPV-CYBMUJFWSA-N 1 0 375.452 1.038 20 0 GDADRO C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575502237 949022825 /nfs/dbraw/zinc/02/28/25/949022825.db2.gz JEBVCJYFZPCRQA-UONOGXRCSA-N 1 0 381.440 1.324 20 0 GDADRO CC(C)(C(=O)NC[C@H](Nc1ncccc1-c1nn[nH]n1)C1CC1)[NH+]1CCCC1 ZINC001573775488 949042958 /nfs/dbraw/zinc/04/29/58/949042958.db2.gz XOPAPGVWGBXCCJ-HNNXBMFYSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@H](F)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575248225 949065109 /nfs/dbraw/zinc/06/51/09/949065109.db2.gz PSRPIOUDHCQKNE-UXEPBGEESA-N 1 0 383.431 1.928 20 0 GDADRO C[C@H](CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1)[N@H+](C)Cc1ccccc1 ZINC001574929088 949077744 /nfs/dbraw/zinc/07/77/44/949077744.db2.gz XVOLTDLTJUTWSQ-CQSZACIVSA-N 1 0 380.456 1.310 20 0 GDADRO C[C@@H](NC(=O)C(F)F)[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575248971 949086108 /nfs/dbraw/zinc/08/61/08/949086108.db2.gz ABQOEAUKLQEJCK-ZYHUDNBSSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574694889 949098466 /nfs/dbraw/zinc/09/84/66/949098466.db2.gz XOHATGJZTBGJCG-ZDUSSCGKSA-N 1 0 380.456 1.315 20 0 GDADRO C[C@@H](F)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575249591 949103604 /nfs/dbraw/zinc/10/36/04/949103604.db2.gz ZDZIVOIXIIBUFM-SSKCKEOISA-N 1 0 383.431 1.928 20 0 GDADRO CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574446380 949127208 /nfs/dbraw/zinc/12/72/08/949127208.db2.gz NTESPWRAIFCVAH-RISCZKNCSA-N 1 0 382.428 1.368 20 0 GDADRO C[C@@H](CNC(=O)COc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574934409 949159438 /nfs/dbraw/zinc/15/94/38/949159438.db2.gz HOFSUQWVLGRGCD-LBPRGKRZSA-N 1 0 385.403 1.074 20 0 GDADRO C[C@H](CNC(=O)COc1ccsc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574934518 949162897 /nfs/dbraw/zinc/16/28/97/949162897.db2.gz JZLFTXLZJXIZJA-LLVKDONJSA-N 1 0 390.444 1.741 20 0 GDADRO C[C@H](NC(=O)C(F)F)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575253074 949178690 /nfs/dbraw/zinc/17/86/90/949178690.db2.gz SDEMPZVJHIQQSZ-CMPLNLGQSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574448212 949183934 /nfs/dbraw/zinc/18/39/34/949183934.db2.gz GJMOQSTUBQPDSO-ABAIWWIYSA-N 1 0 382.428 1.368 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574935346 949194846 /nfs/dbraw/zinc/19/48/46/949194846.db2.gz AMJAQGDAULVWPA-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)n1cccn1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575254366 949201129 /nfs/dbraw/zinc/20/11/29/949201129.db2.gz VSSULFJEMJMOHJ-KGLIPLIRSA-N 1 0 380.456 1.261 20 0 GDADRO CC(C)c1ocnc1C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574449908 949206805 /nfs/dbraw/zinc/20/68/05/949206805.db2.gz VMNGQFZKALHZNP-LBPRGKRZSA-N 1 0 384.444 1.558 20 0 GDADRO CC(C)c1ocnc1C[NH2+]CC1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574449902 949207987 /nfs/dbraw/zinc/20/79/87/949207987.db2.gz VGSKWFWCSVARNI-UHFFFAOYSA-N 1 0 384.444 1.604 20 0 GDADRO C[C@@H](CNC(=O)Cc1cc(F)ccc1F)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574936164 949211258 /nfs/dbraw/zinc/21/12/58/949211258.db2.gz HUJAGPHWDMCWPF-LLVKDONJSA-N 1 0 387.394 1.369 20 0 GDADRO C[C@H](c1cnccn1)[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575516705 949215369 /nfs/dbraw/zinc/21/53/69/949215369.db2.gz QYKXEVBKPZLJSV-OLZOCXBDSA-N 1 0 381.444 1.282 20 0 GDADRO CC(C)n1cc(C(=O)NCC[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)cn1 ZINC001574451938 949249466 /nfs/dbraw/zinc/24/94/66/949249466.db2.gz BFFXQUNZIRDLNB-UHFFFAOYSA-N 1 0 386.435 1.645 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(F)CCOCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574701779 949267830 /nfs/dbraw/zinc/26/78/30/949267830.db2.gz CZFQGYQSRWDMRK-ZDUSSCGKSA-N 1 0 376.436 1.322 20 0 GDADRO CC(C)n1cc(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)cn1 ZINC001574452867 949268518 /nfs/dbraw/zinc/26/85/18/949268518.db2.gz OXZRFBAGEPMQQM-UHFFFAOYSA-N 1 0 381.444 1.226 20 0 GDADRO C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575257314 949272945 /nfs/dbraw/zinc/27/29/45/949272945.db2.gz ZRLCOUUMIQRTOE-ZIAGYGMSSA-N 1 0 377.452 1.721 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)cn1 ZINC001574452951 949275790 /nfs/dbraw/zinc/27/57/90/949275790.db2.gz SHYLRLWMZORRNM-MRXNPFEDSA-N 1 0 381.444 1.082 20 0 GDADRO CC(C)CC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574107413 949281955 /nfs/dbraw/zinc/28/19/55/949281955.db2.gz JGMPUVPPIBDIHY-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574702770 949295929 /nfs/dbraw/zinc/29/59/29/949295929.db2.gz LOIWDKYMOGKTSU-YVEFUNNKSA-N 1 0 378.502 1.681 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001574459404 949358018 /nfs/dbraw/zinc/35/80/18/949358018.db2.gz FNNLSMFNUBXRDK-JOCQHMNTSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@H](NC(=O)CC(C)(C)O)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575262459 949375395 /nfs/dbraw/zinc/37/53/95/949375395.db2.gz APQGPFYOJLMNGR-NSHDSACASA-N 1 0 376.436 1.103 20 0 GDADRO C[C@H](CNC(=O)Cc1cncs1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574944312 949387315 /nfs/dbraw/zinc/38/73/15/949387315.db2.gz ABTZBNCHNSMVSK-SNVBAGLBSA-N 1 0 375.433 1.299 20 0 GDADRO C[C@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574944347 949387943 /nfs/dbraw/zinc/38/79/43/949387943.db2.gz AWEAJRRLZAIEJV-LLVKDONJSA-N 1 0 387.394 1.377 20 0 GDADRO C[C@H](CNC(=O)Cc1cscn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574944858 949400761 /nfs/dbraw/zinc/40/07/61/949400761.db2.gz HJVBCFUGZUTNPZ-SNVBAGLBSA-N 1 0 375.433 1.299 20 0 GDADRO CC(C)n1ccnc1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574464327 949408239 /nfs/dbraw/zinc/40/82/39/949408239.db2.gz KSYPKJSFNCXEJQ-UHFFFAOYSA-N 1 0 382.472 1.848 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263778 949408623 /nfs/dbraw/zinc/40/86/23/949408623.db2.gz JKJCGRBFSOILCC-SJCJKPOMSA-N 1 0 387.463 1.037 20 0 GDADRO C[C@H](NC(=O)CC(C)(C)C)C(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575264818 949437601 /nfs/dbraw/zinc/43/76/01/949437601.db2.gz QZGOKNLADXYJKG-ZDUSSCGKSA-N 1 0 387.488 1.013 20 0 GDADRO CC(C)n1cccc1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574465738 949446544 /nfs/dbraw/zinc/44/65/44/949446544.db2.gz YHUHQRBPUMURPZ-HDJSIYSDSA-N 1 0 380.456 1.687 20 0 GDADRO CC(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574117337 949464549 /nfs/dbraw/zinc/46/45/49/949464549.db2.gz RGEJWPKVOVJURC-GOSISDBHSA-N 1 0 376.436 1.105 20 0 GDADRO CC(C)n1nccc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574469113 949470073 /nfs/dbraw/zinc/47/00/73/949470073.db2.gz WKZHDJZORISLMX-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574948960 949476497 /nfs/dbraw/zinc/47/64/97/949476497.db2.gz OOXZHCZHDRTEMG-ZDUSSCGKSA-N 1 0 380.456 1.235 20 0 GDADRO C[C@H]1CCC[C@@H](CC[NH2+]CCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576157214 949479705 /nfs/dbraw/zinc/47/97/05/949479705.db2.gz ZFWQKVWHJRFAPA-GJZGRUSLSA-N 1 0 389.504 1.435 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCCOCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574708467 949494274 /nfs/dbraw/zinc/49/42/74/949494274.db2.gz VPDTUNDPPHOJNA-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574949455 949494965 /nfs/dbraw/zinc/49/49/65/949494965.db2.gz WWIUDADRKHSYFT-NSHDSACASA-N 1 0 390.398 1.295 20 0 GDADRO C[C@@H]1CCCC[C@]1(CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cnco1 ZINC001576158513 949499262 /nfs/dbraw/zinc/49/92/62/949499262.db2.gz TXMJPAOOTNCTOT-KZULUSFZSA-N 1 0 382.428 1.462 20 0 GDADRO C[C@@H]1CCCC[C@]1(C[NH2+]Cc1ccon1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576158884 949511401 /nfs/dbraw/zinc/51/14/01/949511401.db2.gz VMNOPCKVVKAAQR-KZULUSFZSA-N 1 0 384.444 1.651 20 0 GDADRO C[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CC[NH+](C)CC1 ZINC001574949846 949515047 /nfs/dbraw/zinc/51/50/47/949515047.db2.gz FEDHXSMFFBRXFA-LLVKDONJSA-N 1 0 378.868 1.278 20 0 GDADRO CC(C)n1nccc1C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574470880 949517083 /nfs/dbraw/zinc/51/70/83/949517083.db2.gz WLTXJBRPUVTTDO-UHFFFAOYSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@H](CN(C)C(=O)C1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574711192 949526183 /nfs/dbraw/zinc/52/61/83/949526183.db2.gz FBXXWBXSCIXJLR-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H]1CCCC[C@@H]1OCC[NH+]1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576165337 949569776 /nfs/dbraw/zinc/56/97/76/949569776.db2.gz JRLUJTBEDWQIHO-GUYCJALGSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574955785 949571306 /nfs/dbraw/zinc/57/13/06/949571306.db2.gz DZZCNHHENNMBFC-SJTOZQBFSA-N 1 0 386.431 1.024 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cn[nH]n1 ZINC001573810613 949571151 /nfs/dbraw/zinc/57/11/51/949571151.db2.gz AZTARUSMPKXVQA-CQSZACIVSA-N 1 0 387.423 1.058 20 0 GDADRO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576166008 949574725 /nfs/dbraw/zinc/57/47/25/949574725.db2.gz KUGUJKLBMLAUCI-RHSMWYFYSA-N 1 0 389.504 1.794 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574712250 949576528 /nfs/dbraw/zinc/57/65/28/949576528.db2.gz RDZDEBCQMKEFCU-BDAKNGLRSA-N 1 0 384.897 1.187 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCOC1 ZINC001573811014 949584278 /nfs/dbraw/zinc/58/42/78/949584278.db2.gz GRMORNGOLWUJAY-BBRMVZONSA-N 1 0 390.463 1.663 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cn[nH]n1 ZINC001573811112 949589426 /nfs/dbraw/zinc/58/94/26/949589426.db2.gz HRGJIXMBUKVIOO-AWEZNQCLSA-N 1 0 387.423 1.058 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ccnnc1 ZINC001573811073 949592622 /nfs/dbraw/zinc/59/26/22/949592622.db2.gz HHOJIOSDFRJHTJ-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCCC(N)=O ZINC001573811544 949600625 /nfs/dbraw/zinc/60/06/25/949600625.db2.gz LJXNILUOPOUVNQ-HNNXBMFYSA-N 1 0 387.488 1.143 20 0 GDADRO C[C@@H](Nc1cnc(-c2nn[nH]n2)cn1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001575270716 949601701 /nfs/dbraw/zinc/60/17/01/949601701.db2.gz FNKLUWOMOHXDRG-KGLIPLIRSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576167203 949604264 /nfs/dbraw/zinc/60/42/64/949604264.db2.gz PIZMBRTWJKFYNI-GUYCJALGSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1F)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001575270936 949605021 /nfs/dbraw/zinc/60/50/21/949605021.db2.gz HOPQDPIJLPCPTN-QWHCGFSZSA-N 1 0 390.467 1.582 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574713840 949612985 /nfs/dbraw/zinc/61/29/85/949612985.db2.gz YIHDWXAZMHSULH-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ccnnc1 ZINC001573811990 949614260 /nfs/dbraw/zinc/61/42/60/949614260.db2.gz OYZFTAQKTZCNEA-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@H](NC(=O)CC[C@@H]1CCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575271355 949620545 /nfs/dbraw/zinc/62/05/45/949620545.db2.gz JSGJVMYIOYVUMY-QWHCGFSZSA-N 1 0 390.513 1.681 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)COCC1CC1 ZINC001573812793 949621190 /nfs/dbraw/zinc/62/11/90/949621190.db2.gz UAUPLPCSLUAKAV-KRWDZBQOSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCOC1 ZINC001575547616 949634442 /nfs/dbraw/zinc/63/44/42/949634442.db2.gz DHNIKNPUVIZKGI-YLJYHZDGSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575547872 949648257 /nfs/dbraw/zinc/64/82/57/949648257.db2.gz IJKGRFLIDZAOQI-PXAZEXFGSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575273570 949665417 /nfs/dbraw/zinc/66/54/17/949665417.db2.gz WQSLRWINBQMPNE-ZIAGYGMSSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@@H](NC(=O)CCc1ncccn1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575275020 949691587 /nfs/dbraw/zinc/69/15/87/949691587.db2.gz BPPZBQAOZOZUOX-CQSZACIVSA-N 1 0 392.467 1.226 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574958976 949700408 /nfs/dbraw/zinc/70/04/08/949700408.db2.gz XBBISZBDBMTJDY-TZQJONAQSA-N 1 0 376.486 1.338 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573818007 949713817 /nfs/dbraw/zinc/71/38/17/949713817.db2.gz DTDGAKJVNLKYRL-BEFAXECRSA-N 1 0 387.488 1.178 20 0 GDADRO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574717001 949718107 /nfs/dbraw/zinc/71/81/07/949718107.db2.gz NMMFGIRMCPXUTB-CYBMUJFWSA-N 1 0 389.479 1.997 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574717250 949728426 /nfs/dbraw/zinc/72/84/26/949728426.db2.gz OLINLXAVNNFNII-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574717137 949728570 /nfs/dbraw/zinc/72/85/70/949728570.db2.gz USTISFFNTJJILU-RYUDHWBXSA-N 1 0 392.895 1.516 20 0 GDADRO CC1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCOCC1 ZINC001575558084 949732980 /nfs/dbraw/zinc/73/29/80/949732980.db2.gz OJEKKYFHZKBCRH-CQSZACIVSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H](C)n1cccn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574717788 949745530 /nfs/dbraw/zinc/74/55/30/949745530.db2.gz XMEZAIOJWOGODQ-GJZGRUSLSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575882561 949783370 /nfs/dbraw/zinc/78/33/70/949783370.db2.gz MTGSCPTZLDHGKD-DYVFJYSZSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574720753 949803726 /nfs/dbraw/zinc/80/37/26/949803726.db2.gz GPWDCSXJOSCJHC-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ccccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574720750 949804984 /nfs/dbraw/zinc/80/49/84/949804984.db2.gz GPWDCSXJOSCJHC-HNNXBMFYSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575883149 949805866 /nfs/dbraw/zinc/80/58/66/949805866.db2.gz PVMVYFUFCSXRNJ-PBHICJAKSA-N 1 0 380.456 1.233 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574139198 949810821 /nfs/dbraw/zinc/81/08/21/949810821.db2.gz IUDRCQQUMYLRJM-KUHUBIRLSA-N 1 0 389.504 1.434 20 0 GDADRO CC(C)C[C@H](C)C[NH+]1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001574139331 949814068 /nfs/dbraw/zinc/81/40/68/949814068.db2.gz JPXQGTIAFQDYLD-HNNXBMFYSA-N 1 0 388.520 1.224 20 0 GDADRO C[C@@H](NC(=O)COCC(F)F)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575282584 949840183 /nfs/dbraw/zinc/84/01/83/949840183.db2.gz LFKVVISBSQYMDZ-LLVKDONJSA-N 1 0 380.399 1.085 20 0 GDADRO C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574966337 949845160 /nfs/dbraw/zinc/84/51/60/949845160.db2.gz XQUNBGBYDXMWKH-JTQLQIEISA-N 1 0 388.501 1.857 20 0 GDADRO C[C@H](NC(=O)COC1CCCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575283110 949853298 /nfs/dbraw/zinc/85/32/98/949853298.db2.gz NMFUURKHJJTATC-AWEZNQCLSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574484003 949854485 /nfs/dbraw/zinc/85/44/85/949854485.db2.gz BWSARRPFISOZGG-QWRGUYRKSA-N 1 0 383.378 1.675 20 0 GDADRO C[C@@H](CNC(=O)c1c(F)cncc1F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574966683 949857448 /nfs/dbraw/zinc/85/74/48/949857448.db2.gz BDIREXMKPCZLNP-VIFPVBQESA-N 1 0 391.357 1.587 20 0 GDADRO C[C@@H]1CCN(C(=O)C(F)F)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576177851 949863695 /nfs/dbraw/zinc/86/36/95/949863695.db2.gz CHDHYLPLDWFBGL-ZWNOBZJWSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574484243 949868828 /nfs/dbraw/zinc/86/88/28/949868828.db2.gz WLJUKEKWDXYMCV-HOCLYGCPSA-N 1 0 380.456 1.405 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574142466 949870427 /nfs/dbraw/zinc/87/04/27/949870427.db2.gz ZKZHAKAPIVMSDZ-FZKQIMNGSA-N 1 0 375.477 1.044 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576178620 949891571 /nfs/dbraw/zinc/89/15/71/949891571.db2.gz CGNBCWANEVMJPM-NHYWBVRUSA-N 1 0 384.469 1.493 20 0 GDADRO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001574144536 949910440 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C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)CC1(O)CCC1 ZINC001575908925 950382838 /nfs/dbraw/zinc/38/28/38/950382838.db2.gz XHWQOYFWRRLJTN-LRDDRELGSA-N 1 0 388.447 1.390 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575909204 950393769 /nfs/dbraw/zinc/39/37/69/950393769.db2.gz GBTLOARVFRVDMW-SJCJKPOMSA-N 1 0 392.467 1.860 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575597005 950396703 /nfs/dbraw/zinc/39/67/03/950396703.db2.gz LAJQUTKQAGKRAO-KNBMTAEXSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cnc(Cl)s2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575909870 950408292 /nfs/dbraw/zinc/40/82/92/950408292.db2.gz ISVNMPBLDWKPFZ-GZMMTYOYSA-N 1 0 392.876 1.698 20 0 GDADRO CC(C)C[C@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574162916 950411011 /nfs/dbraw/zinc/41/10/11/950411011.db2.gz MXYQDZFRZKERAO-KGLIPLIRSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001574991603 950411874 /nfs/dbraw/zinc/41/18/74/950411874.db2.gz PCAIENZSNXQOBH-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO CC(C)N(CCN(C)c1ccc(-c2nn[nH]n2)nc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576199474 950424170 /nfs/dbraw/zinc/42/41/70/950424170.db2.gz ZIFISJUUAAYQSV-OAHLLOKOSA-N 1 0 386.504 1.277 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cncs1 ZINC001575911734 950452877 /nfs/dbraw/zinc/45/28/77/950452877.db2.gz PPRTXAAMPDLJRR-LRDDRELGSA-N 1 0 383.481 1.645 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H](CNc2ncc(-c3nn[nH]n3)cc2F)C2CC2)C1 ZINC001576204089 950455603 /nfs/dbraw/zinc/45/56/03/950455603.db2.gz LFDMEAPVTIEFIP-NHYWBVRUSA-N 1 0 388.451 1.049 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cccnc1 ZINC001575912245 950464286 /nfs/dbraw/zinc/46/42/86/950464286.db2.gz RCWJFVGDSQTUHK-KDOFPFPSSA-N 1 0 377.452 1.583 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc[nH]c(=O)c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574752183 950478387 /nfs/dbraw/zinc/47/83/87/950478387.db2.gz VBWLCGHZOZAHIQ-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575605938 950490721 /nfs/dbraw/zinc/49/07/21/950490721.db2.gz XBCRDWWUKSKCGO-BWACUDIHSA-N 1 0 376.486 1.482 20 0 GDADRO C[C@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575914434 950492701 /nfs/dbraw/zinc/49/27/01/950492701.db2.gz KXUZRBWQXXPFPQ-BBRMVZONSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(Cl)no1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574752664 950495404 /nfs/dbraw/zinc/49/54/04/950495404.db2.gz ZDMSXSLGQCPDGT-JTQLQIEISA-N 1 0 375.820 1.758 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573866768 950513281 /nfs/dbraw/zinc/51/32/81/950513281.db2.gz LVHQXUQLUNQXII-UHFFFAOYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001576205611 950530943 /nfs/dbraw/zinc/53/09/43/950530943.db2.gz KXFNCQXQOGYTRJ-GHMZBOCLSA-N 1 0 378.868 1.174 20 0 GDADRO C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)N(C)c1ncc(-c2nn[nH]n2)cc1F ZINC001576206277 950566421 /nfs/dbraw/zinc/56/64/21/950566421.db2.gz VYUKEIHBFVVNMA-ZDUSSCGKSA-N 1 0 390.467 1.074 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576207125 950590288 /nfs/dbraw/zinc/59/02/88/950590288.db2.gz CQOBEBVMNZRGNJ-OBJOEFQTSA-N 1 0 388.451 1.049 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575000153 950597902 /nfs/dbraw/zinc/59/79/02/950597902.db2.gz BCBSZNVFRDNROC-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2ncccc2-c2nn[nH]n2)C1 ZINC001576207889 950598482 /nfs/dbraw/zinc/59/84/82/950598482.db2.gz KXPKYWXNSCDJNW-FVQBIDKESA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)(C)OCC(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001573871536 950620429 /nfs/dbraw/zinc/62/04/29/950620429.db2.gz RGTXNFVLNQTWQY-UHFFFAOYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574513749 950620226 /nfs/dbraw/zinc/62/02/26/950620226.db2.gz XZMWHTMUMSVGCB-VXGBXAGGSA-N 1 0 388.501 1.450 20 0 GDADRO C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575001315 950632340 /nfs/dbraw/zinc/63/23/40/950632340.db2.gz KCRAQGGICSGTHC-CYBMUJFWSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575002016 950649359 /nfs/dbraw/zinc/64/93/59/950649359.db2.gz YKGDDUCCOBSVRV-LBPRGKRZSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](Nc3ncc(-c4nn[nH]n4)cc3Cl)C2)C1 ZINC001576213875 950650713 /nfs/dbraw/zinc/65/07/13/950650713.db2.gz KAGRGFBIGVVEAH-DRZSPHRISA-N 1 0 390.879 1.316 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574518253 950651483 /nfs/dbraw/zinc/65/14/83/950651483.db2.gz MWSJYOGDDNIBQC-KBEGMRNHSA-N 1 0 384.484 1.809 20 0 GDADRO CC1(C)CC(C(=O)N2CCO[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001575623582 950651644 /nfs/dbraw/zinc/65/16/44/950651644.db2.gz DCMRQDKZWMXROM-KRWDZBQOSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1ccnc1 ZINC001574518959 950665477 /nfs/dbraw/zinc/66/54/77/950665477.db2.gz SCLMRFINNIHSRN-AVGNSLFASA-N 1 0 386.485 1.513 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573878059 950700056 /nfs/dbraw/zinc/70/00/56/950700056.db2.gz JGLGUFXKTCSGMR-RBSFLKMASA-N 1 0 390.463 1.255 20 0 GDADRO CC(C)n1cnc(C(=O)N(C)C[C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001574761688 950701193 /nfs/dbraw/zinc/70/11/93/950701193.db2.gz VJOKHPUVEPZAQL-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574762436 950705280 /nfs/dbraw/zinc/70/52/80/950705280.db2.gz XUVPWGCWEXOQJZ-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CC[C@@H](C)C1)[NH+](C)C ZINC001576215953 950716857 /nfs/dbraw/zinc/71/68/57/950716857.db2.gz XANGYDAZORJBEX-KGLIPLIRSA-N 1 0 381.488 1.922 20 0 GDADRO CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001573879778 950732912 /nfs/dbraw/zinc/73/29/12/950732912.db2.gz MGHRHDNLUUCFEC-XYPYZODXSA-N 1 0 382.428 1.342 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COCC1CCCC1 ZINC001575927334 950744294 /nfs/dbraw/zinc/74/42/94/950744294.db2.gz PGTSFBHDTSBEDC-BBRMVZONSA-N 1 0 385.472 1.292 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575927722 950753617 /nfs/dbraw/zinc/75/36/17/950753617.db2.gz SWRSPXRDADIROK-GXFFZTMASA-N 1 0 380.412 1.264 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cnn(C)c1 ZINC001574520992 950763159 /nfs/dbraw/zinc/76/31/59/950763159.db2.gz CDFOGYSZBVILJF-KBPBESRZSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](CN(C)C(=O)c1cscn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574765001 950768035 /nfs/dbraw/zinc/76/80/35/950768035.db2.gz BJXVGZQUMFOFCM-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C1=CCOCC1 ZINC001574521106 950771180 /nfs/dbraw/zinc/77/11/80/950771180.db2.gz DCWMLUVFOHFAOD-QWHCGFSZSA-N 1 0 388.447 1.725 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1(F)CCOCC1 ZINC001574521368 950774779 /nfs/dbraw/zinc/77/47/79/950774779.db2.gz FSBZEUGXEFJJBW-KBPBESRZSA-N 1 0 390.463 1.758 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574765038 950775119 /nfs/dbraw/zinc/77/51/19/950775119.db2.gz CHQWMAFEJGXUBR-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCc1cn[nH]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574522796 950798869 /nfs/dbraw/zinc/79/88/69/950798869.db2.gz LAFOFHVVVCUQSL-KGLIPLIRSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1cnoc1 ZINC001574522582 950799728 /nfs/dbraw/zinc/79/97/28/950799728.db2.gz KYWSTRVCLPJGCG-VXGBXAGGSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576220590 950836965 /nfs/dbraw/zinc/83/69/65/950836965.db2.gz RPRIEZCSURRABA-DGCLKSJQSA-N 1 0 378.427 1.938 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=CCOCC1 ZINC001574524455 950861946 /nfs/dbraw/zinc/86/19/46/950861946.db2.gz WNKIHUAHNAWTPI-VXGBXAGGSA-N 1 0 376.486 1.648 20 0 GDADRO C[C@@H](C[N@H+](C)C[C@@H](O)c1ccccc1F)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767744 950866033 /nfs/dbraw/zinc/86/60/33/950866033.db2.gz QBNPYRVQDSWZGG-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cncnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574527988 950919291 /nfs/dbraw/zinc/91/92/91/950919291.db2.gz JLGQECSQFVPRFK-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cncn1C ZINC001574529291 950947558 /nfs/dbraw/zinc/94/75/58/950947558.db2.gz PZUOGAMMPOXLLV-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)CCC[NH2+]CC1(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCOCC1 ZINC001574195275 950976614 /nfs/dbraw/zinc/97/66/14/950976614.db2.gz LZPMSXKGLRVQHM-UHFFFAOYSA-N 1 0 375.477 1.500 20 0 GDADRO C[C@@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574773322 950987590 /nfs/dbraw/zinc/98/75/90/950987590.db2.gz XIHWIUZPRFWYKI-ZDUSSCGKSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001575938761 950992772 /nfs/dbraw/zinc/99/27/72/950992772.db2.gz NCNDNFYSHKRUIB-UONOGXRCSA-N 1 0 387.488 1.395 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(F)cc1Cl ZINC001575017453 950995125 /nfs/dbraw/zinc/99/51/25/950995125.db2.gz KKILIZRIFWFKJE-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)CCO2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024553 951106462 /nfs/dbraw/zinc/10/64/62/951106462.db2.gz HEZPMLHVBVHXRI-CYBMUJFWSA-N 1 0 378.436 1.710 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(F)cn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575024898 951118003 /nfs/dbraw/zinc/11/80/03/951118003.db2.gz PGQANCFPOVNWNP-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1CCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575029745 951189368 /nfs/dbraw/zinc/18/93/68/951189368.db2.gz XEZTVBHSCCIEMD-CYBMUJFWSA-N 1 0 377.452 1.650 20 0 GDADRO C[C@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575034363 951246642 /nfs/dbraw/zinc/24/66/42/951246642.db2.gz MRGFFKRFKBXWMC-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2-c2nn[nH]n2)n1 ZINC001575034731 951255415 /nfs/dbraw/zinc/25/54/15/951255415.db2.gz CNNUYLHKAJTTFD-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575034920 951259860 /nfs/dbraw/zinc/25/98/60/951259860.db2.gz QOWDFNZJCUHOSB-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1C(F)F)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575041808 951351460 /nfs/dbraw/zinc/35/14/60/951351460.db2.gz CMAUBHAXGOMICK-SNVBAGLBSA-N 1 0 390.398 1.446 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575042455 951362500 /nfs/dbraw/zinc/36/25/00/951362500.db2.gz JSTCZURJNMNEIA-LBPRGKRZSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@H](CNC(=O)c1cnc(Cl)n1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575043272 951385530 /nfs/dbraw/zinc/38/55/30/951385530.db2.gz HOJSKBLHDJFXMT-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575043821 951402966 /nfs/dbraw/zinc/40/29/66/951402966.db2.gz VUOWXPDEQDOCHR-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cn(C2CCC2)nn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575044193 951408353 /nfs/dbraw/zinc/40/83/53/951408353.db2.gz XWMMAGXKQRSQCK-GFCCVEGCSA-N 1 0 381.444 1.091 20 0 GDADRO C[C@H](CNC(=O)c1cnoc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575053726 951483278 /nfs/dbraw/zinc/48/32/78/951483278.db2.gz DEYPWVDJFSRCGP-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1cnns1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575055481 951508148 /nfs/dbraw/zinc/50/81/48/951508148.db2.gz VLQLEUMZAAXWMD-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](CNC(=O)c1coc(CC2CC2)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575056213 951518020 /nfs/dbraw/zinc/51/80/20/951518020.db2.gz GPJNKQFKJGANAZ-GFCCVEGCSA-N 1 0 381.440 1.715 20 0 GDADRO C[C@H](CNC(=O)c1conc1C1CC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575058308 951536162 /nfs/dbraw/zinc/53/61/62/951536162.db2.gz VFPNIVGLBCDHQF-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1ncc(F)cc1F)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575061970 951562948 /nfs/dbraw/zinc/56/29/48/951562948.db2.gz SFJCZVRXGKMRGV-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1ncnc2[nH]ccc21)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575068061 951629210 /nfs/dbraw/zinc/62/92/10/951629210.db2.gz WPRPBOFGJGTZIL-LBPRGKRZSA-N 1 0 391.439 1.340 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)c1cnon1)C1CC1 ZINC001575077074 951660816 /nfs/dbraw/zinc/66/08/16/951660816.db2.gz BRTQFXUKPFSNLO-KRWDZBQOSA-N 1 0 386.391 1.077 20 0 GDADRO C[C@H](C[NH2+]C[C@H](O)C1CCCCC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077329 951666608 /nfs/dbraw/zinc/66/66/08/951666608.db2.gz FSZMAMILNKOVAU-WBMJQRKESA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001575077795 951674679 /nfs/dbraw/zinc/67/46/79/951674679.db2.gz HSGOIGJDCZYWTD-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001575077799 951674762 /nfs/dbraw/zinc/67/47/62/951674762.db2.gz HSGOIGJDCZYWTD-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](C[NH2+]C[C@H](O)C1CCCCC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575078011 951677497 /nfs/dbraw/zinc/67/74/97/951677497.db2.gz JDMFTKGBIJPADZ-LRDDRELGSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@H](CNC(=O)CCc1c[nH]cn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078238 951678875 /nfs/dbraw/zinc/67/88/75/951678875.db2.gz KEAYULRSKYBJDH-GFCCVEGCSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCCCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078665 951684924 /nfs/dbraw/zinc/68/49/24/951684924.db2.gz LIUDUOULGTVYJJ-CJNGLKHVSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](CNC(=O)c1cccc(=O)[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079049 951687433 /nfs/dbraw/zinc/68/74/33/951687433.db2.gz OUWZLNZTCSCNIN-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@H](O)c1ccccc1F ZINC001575079762 951696080 /nfs/dbraw/zinc/69/60/80/951696080.db2.gz OMHTYTJILJIQLB-ZBEGNZNMSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC001575079974 951700485 /nfs/dbraw/zinc/70/04/85/951700485.db2.gz IBWBZENTPXLFIV-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)COCC1CC1 ZINC001575080099 951704687 /nfs/dbraw/zinc/70/46/87/951704687.db2.gz UUBMGAKMWOMJOH-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)c1cncs1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080508 951711003 /nfs/dbraw/zinc/71/10/03/951711003.db2.gz XIULUFQMXNHSQB-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1c(F)cccc1F ZINC001575080735 951714812 /nfs/dbraw/zinc/71/48/12/951714812.db2.gz QZELWMPKWJSPQM-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082359 951732845 /nfs/dbraw/zinc/73/28/45/951732845.db2.gz XPBCWIOWCWOERO-XJKSGUPXSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082556 951734178 /nfs/dbraw/zinc/73/41/78/951734178.db2.gz XDMASIBSGPYAKG-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C1(C)CCOCC1 ZINC001575082656 951736533 /nfs/dbraw/zinc/73/65/33/951736533.db2.gz XUARUBQNEQXYBD-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001575088692 951741302 /nfs/dbraw/zinc/74/13/02/951741302.db2.gz AUVVELNXAQMQHY-SFHVURJKSA-N 1 0 388.497 1.649 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088867 951743168 /nfs/dbraw/zinc/74/31/68/951743168.db2.gz CHIJUMDZKGZRPK-AUUYWEPGSA-N 1 0 392.463 1.712 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)n1cccn1 ZINC001575089530 951751085 /nfs/dbraw/zinc/75/10/85/951751085.db2.gz GKLUDAFVRSNOAO-QWHCGFSZSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@H]1CCCO1)C1CC1 ZINC001575090135 951756542 /nfs/dbraw/zinc/75/65/42/951756542.db2.gz JQWAHZBMLJBPDQ-CXAGYDPISA-N 1 0 376.486 1.482 20 0 GDADRO C[C@H](CNC(=O)CCc1ccon1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090332 951760844 /nfs/dbraw/zinc/76/08/44/951760844.db2.gz KNOOVKSOHUTVEF-LBPRGKRZSA-N 1 0 387.419 1.469 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575091092 951767887 /nfs/dbraw/zinc/76/78/87/951767887.db2.gz PBPSDZQTDVBJEH-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091123 951769854 /nfs/dbraw/zinc/76/98/54/951769854.db2.gz PKRLXFSYJCWTFV-UONOGXRCSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnoc1C1CC1 ZINC001575092282 951792311 /nfs/dbraw/zinc/79/23/11/951792311.db2.gz BSRAQFFTWHJPJN-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cncc(F)c1 ZINC001575092281 951792533 /nfs/dbraw/zinc/79/25/33/951792533.db2.gz ZYXAGQRMOZIXCC-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575092497 951793049 /nfs/dbraw/zinc/79/30/49/951793049.db2.gz CFNRXFMZYJWVHI-VHSSKADRSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1ccncn1 ZINC001575093381 951798370 /nfs/dbraw/zinc/79/83/70/951798370.db2.gz ILCJCKSWHRAYDM-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575095421 951810770 /nfs/dbraw/zinc/81/07/70/951810770.db2.gz SVLZCRRILIPFDD-KSSFIOAISA-N 1 0 391.479 1.613 20 0 GDADRO C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1ccnc1 ZINC001575098166 951821624 /nfs/dbraw/zinc/82/16/24/951821624.db2.gz BSFHSKRNFFBLRD-OLZOCXBDSA-N 1 0 388.501 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1nccs1 ZINC001575099057 951829594 /nfs/dbraw/zinc/82/95/94/951829594.db2.gz HYRAOSGOYHOQGC-LLVKDONJSA-N 1 0 391.526 1.954 20 0 GDADRO C[C@@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099362 951833040 /nfs/dbraw/zinc/83/30/40/951833040.db2.gz KPQUCIHXVWFYPO-CHWSQXEVSA-N 1 0 378.502 1.587 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575102743 951871542 /nfs/dbraw/zinc/87/15/42/951871542.db2.gz PTTNSWNTWYNKHA-SGTLLEGYSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CCn1ccnc1 ZINC001575104431 951886599 /nfs/dbraw/zinc/88/65/99/951886599.db2.gz CHWATVQYCGORNN-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1nccs1 ZINC001575105231 951892408 /nfs/dbraw/zinc/89/24/08/951892408.db2.gz IECXOJZJFCOQOW-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001575106195 951902258 /nfs/dbraw/zinc/90/22/58/951902258.db2.gz QUOOKCNRVLXTOZ-ZFWWWQNUSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107148 951912719 /nfs/dbraw/zinc/91/27/19/951912719.db2.gz AACQLJNHUIVFLY-KBRIMQKVSA-N 1 0 394.483 1.246 20 0 GDADRO C[C@@H](CNC(=O)c1ncoc1C1CC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107318 951916775 /nfs/dbraw/zinc/91/67/75/951916775.db2.gz CJWNJUUZCLGMIU-GFCCVEGCSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001575107904 951921311 /nfs/dbraw/zinc/92/13/11/951921311.db2.gz IEPHFWZQHLPJPG-GFCCVEGCSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109294 951930014 /nfs/dbraw/zinc/93/00/14/951930014.db2.gz RMDGBTXBSPVSBO-NQYLQCIDSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575109737 951933246 /nfs/dbraw/zinc/93/32/46/951933246.db2.gz ULNFKZKDYBIBGC-JTQLQIEISA-N 1 0 390.398 1.778 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1Cl)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114032 951951297 /nfs/dbraw/zinc/95/12/97/951951297.db2.gz KWYWGFJBLNVWCH-NSHDSACASA-N 1 0 388.863 1.409 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1cccc(F)c1F ZINC001575115483 951963950 /nfs/dbraw/zinc/96/39/50/951963950.db2.gz XJPOQGLUEPBCSY-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO C[C@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575135151 952115513 /nfs/dbraw/zinc/11/55/13/952115513.db2.gz KJDDXIKECUELOH-MJBXVCDLSA-N 1 0 389.479 1.995 20 0 GDADRO C[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001575137416 952138832 /nfs/dbraw/zinc/13/88/32/952138832.db2.gz YPCLMSYFMVEWOC-ZDUSSCGKSA-N 1 0 389.479 1.997 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575143707 952155720 /nfs/dbraw/zinc/15/57/20/952155720.db2.gz CCXZAGZLDXGDTI-LIRRHRJNSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1c(F)ccc(F)c1F ZINC001575147445 952200197 /nfs/dbraw/zinc/20/01/97/952200197.db2.gz UATBFASOFQHFBS-VIFPVBQESA-N 1 0 391.357 1.674 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575148131 952202765 /nfs/dbraw/zinc/20/27/65/952202765.db2.gz XRWTVAZGTWYMJG-ZDUSSCGKSA-N 1 0 383.431 1.714 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1nccs1 ZINC001571118098 952487125 /nfs/dbraw/zinc/48/71/25/952487125.db2.gz USJCAQNCGRUFGN-ONGXEEELSA-N 1 0 375.483 1.778 20 0 GDADRO O=C(C(F)F)N1CCC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC001571120143 952500777 /nfs/dbraw/zinc/50/07/77/952500777.db2.gz JWWQQNSQEHKRKU-LSDHHAIUSA-N 1 0 376.411 1.945 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575202251 952511300 /nfs/dbraw/zinc/51/13/00/952511300.db2.gz USUCCQIRXDCRCU-ZDUSSCGKSA-N 1 0 380.456 1.017 20 0 GDADRO CC[C@H](OC)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571122842 952527492 /nfs/dbraw/zinc/52/74/92/952527492.db2.gz MMHVABHFXHTKFW-BBRMVZONSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](Cn1c(C2CC2)nnc1N(C)Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001575207043 952531732 /nfs/dbraw/zinc/53/17/32/952531732.db2.gz NJANZUNRJKDNDD-CYBMUJFWSA-N 1 0 381.488 1.922 20 0 GDADRO CO[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)C1CC1 ZINC001571123726 952531847 /nfs/dbraw/zinc/53/18/47/952531847.db2.gz VFISLOIENUOZJV-HNNXBMFYSA-N 1 0 376.486 1.434 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)CC3CC(F)(F)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124652 952542805 /nfs/dbraw/zinc/54/28/05/952542805.db2.gz QIKABYTTXPNVJZ-GFCCVEGCSA-N 1 0 377.399 1.700 20 0 GDADRO Cc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571127565 952558274 /nfs/dbraw/zinc/55/82/74/952558274.db2.gz IJYOJTBMQZBQRF-INIZCTEOSA-N 1 0 377.452 1.965 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001571128706 952569829 /nfs/dbraw/zinc/56/98/29/952569829.db2.gz WTYYVBAUGOACSG-WMLDXEAASA-N 1 0 377.452 1.950 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC3(F)F)C2)cc1-c1nn[nH]n1 ZINC001571130031 952578996 /nfs/dbraw/zinc/57/89/96/952578996.db2.gz NESPGEQHSZXXMJ-NTZNESFSSA-N 1 0 378.383 1.267 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccncn1 ZINC001571134596 952593276 /nfs/dbraw/zinc/59/32/76/952593276.db2.gz HMQFDZQMMHNXDD-UKRRQHHQSA-N 1 0 378.440 1.440 20 0 GDADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)nn1 ZINC001571135504 952605066 /nfs/dbraw/zinc/60/50/66/952605066.db2.gz ZHLHUMPVVVHUPE-UHFFFAOYSA-N 1 0 378.440 1.360 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[N@@H+]1CC1CC(F)(F)C1 ZINC001571139253 952619420 /nfs/dbraw/zinc/61/94/20/952619420.db2.gz DHTWIIFFFTWWIG-JQWIXIFHSA-N 1 0 379.415 1.823 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571139335 952620071 /nfs/dbraw/zinc/62/00/71/952620071.db2.gz GEKSNHLFWRBFHV-NEPJUHHUSA-N 1 0 379.415 1.824 20 0 GDADRO C[C@@H](C(=O)N1CCC(N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001571140035 952623467 /nfs/dbraw/zinc/62/34/67/952623467.db2.gz NPJGJGLKUAMZRX-NSHDSACASA-N 1 0 379.415 1.980 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571140286 952624304 /nfs/dbraw/zinc/62/43/04/952624304.db2.gz POOSEYKHORJFDT-JOCQHMNTSA-N 1 0 379.415 1.871 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn2c1CCC2 ZINC001571141043 952630463 /nfs/dbraw/zinc/63/04/63/952630463.db2.gz FZUQMJVMZUUQLC-OAHLLOKOSA-N 1 0 378.440 1.014 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn2c1CCC2 ZINC001571141042 952630656 /nfs/dbraw/zinc/63/06/56/952630656.db2.gz FZUQMJVMZUUQLC-HNNXBMFYSA-N 1 0 378.440 1.014 20 0 GDADRO COc1cccc(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571141308 952632886 /nfs/dbraw/zinc/63/28/86/952632886.db2.gz KDSZCSBYVJKFGN-HDJSIYSDSA-N 1 0 379.424 1.374 20 0 GDADRO Cc1cc(N2CCC[C@H]2CNC(=O)c2ccccc2O)c(-c2nn[nH]n2)c[nH+]1 ZINC001571141303 952633096 /nfs/dbraw/zinc/63/30/96/952633096.db2.gz JZLPOKLDZDSOLM-ZDUSSCGKSA-N 1 0 379.424 1.675 20 0 GDADRO O=C(Cc1ccc[nH]1)NC1CC2(C1)CC(Nc1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571141979 952637975 /nfs/dbraw/zinc/63/79/75/952637975.db2.gz MHDGEOWUPCJPKF-UHFFFAOYSA-N 1 0 378.440 1.094 20 0 GDADRO O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571148412 952667707 /nfs/dbraw/zinc/66/77/07/952667707.db2.gz YWKZSSBOSGSNFB-MRXNPFEDSA-N 1 0 379.424 1.362 20 0 GDADRO C[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571150431 952668779 /nfs/dbraw/zinc/66/87/79/952668779.db2.gz AJYMVLHDPSXFGS-YOEHRIQHSA-N 1 0 379.468 1.622 20 0 GDADRO Cc1ccc(CC[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1 ZINC001571150690 952670796 /nfs/dbraw/zinc/67/07/96/952670796.db2.gz FGCQGJFYPFRYPO-QGZVFWFLSA-N 1 0 379.468 1.940 20 0 GDADRO Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC34CC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571151779 952678736 /nfs/dbraw/zinc/67/87/36/952678736.db2.gz XGLVLYBZSXNYBR-AGKSTNPPSA-N 1 0 379.468 1.845 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CC1(F)F ZINC001571153958 952688279 /nfs/dbraw/zinc/68/82/79/952688279.db2.gz WYRULJGQHNHVIH-YPMHNXCESA-N 1 0 380.374 1.742 20 0 GDADRO O=C(N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@]1(F)CCOC1 ZINC001571165444 952751198 /nfs/dbraw/zinc/75/11/98/952751198.db2.gz DGFBYHJCVNEXHB-MEDUHNTESA-N 1 0 380.449 1.137 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)Cc2ncc[nH]2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165582 952753230 /nfs/dbraw/zinc/75/32/30/952753230.db2.gz GBMZODXPEDTVAX-CZUORRHYSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@H]([NH2+]Cc1cccnc1)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571165939 952756537 /nfs/dbraw/zinc/75/65/37/952756537.db2.gz JDKUDUOTRRUNKI-ZFWWWQNUSA-N 1 0 380.456 1.620 20 0 GDADRO CCCc1n[nH]cc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571165956 952757367 /nfs/dbraw/zinc/75/73/67/952757367.db2.gz JIVDGNPJCGRXLX-HNNXBMFYSA-N 1 0 380.456 1.547 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)c2ccnn2C)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571166258 952760107 /nfs/dbraw/zinc/76/01/07/952760107.db2.gz KUGOLHKXXOIZRV-UKRRQHHQSA-N 1 0 380.456 1.383 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccnn2C)CC[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571167200 952771381 /nfs/dbraw/zinc/77/13/81/952771381.db2.gz YAKBOVPSRDOOHC-CJNGLKHVSA-N 1 0 380.456 1.241 20 0 GDADRO Cc1cncn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571169342 952773058 /nfs/dbraw/zinc/77/30/58/952773058.db2.gz ADMISGHSYXNKPA-CXAGYDPISA-N 1 0 380.456 1.008 20 0 GDADRO Cc1[nH]ccc1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001571169429 952773883 /nfs/dbraw/zinc/77/38/83/952773883.db2.gz CEVVCYZIYGTHIM-CJNGLKHVSA-N 1 0 380.456 1.994 20 0 GDADRO Cc1cncn1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571169619 952776008 /nfs/dbraw/zinc/77/60/08/952776008.db2.gz IHGXFAYFOYYNTA-QGZVFWFLSA-N 1 0 380.456 1.152 20 0 GDADRO Cc1nc[nH]c1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C(C)(C)C1 ZINC001571169700 952776984 /nfs/dbraw/zinc/77/69/84/952776984.db2.gz KSYVADOWEXZXHS-OAHLLOKOSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1c(C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)ccn1C ZINC001571169750 952778465 /nfs/dbraw/zinc/77/84/65/952778465.db2.gz LSYCFHNFBPFQPE-UONOGXRCSA-N 1 0 380.456 1.341 20 0 GDADRO Cc1ccnn1CC(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571169794 952778724 /nfs/dbraw/zinc/77/87/24/952778724.db2.gz NONGCZGHCKJYLO-UHFFFAOYSA-N 1 0 380.456 1.152 20 0 GDADRO Cc1ncc(C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1C ZINC001571170847 952789440 /nfs/dbraw/zinc/78/94/40/952789440.db2.gz XQTRFPRNRYYJIP-MRXNPFEDSA-N 1 0 380.456 1.303 20 0 GDADRO Cn1nccc1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171712 952796410 /nfs/dbraw/zinc/79/64/10/952796410.db2.gz DPUXXDWMHQIWHW-HOCLYGCPSA-N 1 0 380.456 1.289 20 0 GDADRO Cc1nn(C)cc1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172183 952802603 /nfs/dbraw/zinc/80/26/03/952802603.db2.gz ONJHRVJPBCXFTL-OAHLLOKOSA-N 1 0 380.456 1.303 20 0 GDADRO Cn1cnc(C(=O)NC2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC001571172361 952806002 /nfs/dbraw/zinc/80/60/02/952806002.db2.gz TZLWMKUJDKSANL-UHFFFAOYSA-N 1 0 380.456 1.431 20 0 GDADRO Cn1cncc1C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571172808 952807960 /nfs/dbraw/zinc/80/79/60/952807960.db2.gz YCTKXKKRWPQVHO-HZPDHXFCSA-N 1 0 380.456 1.289 20 0 GDADRO Cc1nn(C)cc1C(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172580 952808043 /nfs/dbraw/zinc/80/80/43/952808043.db2.gz XRKQRVVAMNHLJS-UHFFFAOYSA-N 1 0 380.456 1.301 20 0 GDADRO Cc1cccc(F)c1C(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571178480 952842187 /nfs/dbraw/zinc/84/21/87/952842187.db2.gz KEFZOLBQOBUFNT-BLLLJJGKSA-N 1 0 381.415 1.704 20 0 GDADRO CN(C(=O)c1ccncc1)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571178583 952843165 /nfs/dbraw/zinc/84/31/65/952843165.db2.gz NQIKKEPJPPAWNX-UHFFFAOYSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1ccncc1 ZINC001571178869 952849532 /nfs/dbraw/zinc/84/95/32/952849532.db2.gz WVMOEPCWQQCZDP-MLGOLLRUSA-N 1 0 381.415 1.794 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@H]2C)o1 ZINC001571179240 952850332 /nfs/dbraw/zinc/85/03/32/952850332.db2.gz AKGLIEYSIWWJHF-MLGOLLRUSA-N 1 0 381.440 1.864 20 0 GDADRO Cc1cc(CC(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@H]2C)no1 ZINC001571179232 952850466 /nfs/dbraw/zinc/85/04/66/952850466.db2.gz AGZZDFSNFTTXIH-WBMJQRKESA-N 1 0 381.440 1.485 20 0 GDADRO Cc1cc(NC[C@@]2(C)CCN(C(=O)Cc3ccco3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571179979 952857900 /nfs/dbraw/zinc/85/79/00/952857900.db2.gz LLRUHCRKYPHUBC-LJQANCHMSA-N 1 0 381.440 1.478 20 0 GDADRO Cc1cnoc1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571179970 952858076 /nfs/dbraw/zinc/85/80/76/952858076.db2.gz LGCGWLMWHZVBOB-MRXNPFEDSA-N 1 0 381.440 1.948 20 0 GDADRO Cc1cc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)no1 ZINC001571180226 952858570 /nfs/dbraw/zinc/85/85/70/952858570.db2.gz MSDOIKXLNCLNMP-HNNXBMFYSA-N 1 0 381.440 1.948 20 0 GDADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(-c3cccc(-c4nn[nH]n4)c3)no2)C1(C)C ZINC001571182663 952867539 /nfs/dbraw/zinc/86/75/39/952867539.db2.gz AWXUWPZGBBHOQO-JKSUJKDBSA-N 1 0 381.440 1.980 20 0 GDADRO C[C@H](NC(=O)c1cocn1)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571182782 952868975 /nfs/dbraw/zinc/86/89/75/952868975.db2.gz FRJDJLDPTUNXDA-KBPBESRZSA-N 1 0 381.440 1.885 20 0 GDADRO COc1cc2c(cc1OC)C[N@H+](C[C@H](O)c1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571182890 952870645 /nfs/dbraw/zinc/87/06/45/952870645.db2.gz IVWZZQQHQCIFRW-KRWDZBQOSA-N 1 0 381.436 1.976 20 0 GDADRO COc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1C ZINC001571183113 952873272 /nfs/dbraw/zinc/87/32/72/952873272.db2.gz OYGVHEOHLDVXFT-AWEZNQCLSA-N 1 0 381.440 1.516 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001571183193 952874115 /nfs/dbraw/zinc/87/41/15/952874115.db2.gz SBZPNVVMVABDDG-ZBFHGGJFSA-N 1 0 381.415 1.826 20 0 GDADRO C[C@@H](NC(=O)c1cn[nH]n1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571185041 952900140 /nfs/dbraw/zinc/90/01/40/952900140.db2.gz HGMRPOKGMNCMSJ-GFCCVEGCSA-N 1 0 381.444 1.015 20 0 GDADRO CCn1nccc1C(=O)NC1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571185508 952902365 /nfs/dbraw/zinc/90/23/65/952902365.db2.gz MOLAAYXGCMXDPG-UHFFFAOYSA-N 1 0 381.444 1.185 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571188359 952913907 /nfs/dbraw/zinc/91/39/07/952913907.db2.gz JHZXCNUJIWIBSC-JOCQHMNTSA-N 1 0 381.444 1.177 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC001571193845 952953547 /nfs/dbraw/zinc/95/35/47/952953547.db2.gz FINPWZIGOWWZGT-ZIAGYGMSSA-N 1 0 382.390 1.955 20 0 GDADRO CN(C[C@H]1CCN(C(=O)CCc2ccon2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571198781 952993761 /nfs/dbraw/zinc/99/37/61/952993761.db2.gz GKAROLBSOUGVRL-CYBMUJFWSA-N 1 0 382.428 1.167 20 0 GDADRO CN(C[C@@H]1CCN(C(=O)CCc2ccon2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571198782 952994125 /nfs/dbraw/zinc/99/41/25/952994125.db2.gz GKAROLBSOUGVRL-ZDUSSCGKSA-N 1 0 382.428 1.167 20 0 GDADRO CCc1ncoc1C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571199126 952996039 /nfs/dbraw/zinc/99/60/39/952996039.db2.gz MDCNPEGYTNFAMK-GFCCVEGCSA-N 1 0 382.428 1.259 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CN(C(=O)c2ccco2)C[C@@H]1C ZINC001571200479 953009766 /nfs/dbraw/zinc/00/97/66/953009766.db2.gz IWARLRJQKDCVNU-WFASDCNBSA-N 1 0 382.424 1.719 20 0 GDADRO Cc1cnoc1C(=O)N1CCCC[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571201351 953017821 /nfs/dbraw/zinc/01/78/21/953017821.db2.gz KNMQUGHEHXPHAO-ZDUSSCGKSA-N 1 0 382.428 1.477 20 0 GDADRO O=C(c1ccoc1)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571201587 953018815 /nfs/dbraw/zinc/01/88/15/953018815.db2.gz RZMFEZDFTGBSNV-KRWDZBQOSA-N 1 0 382.424 1.481 20 0 GDADRO Cc1cc(NC[C@@H]2CCN(C(=O)c3ccon3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571202600 953027160 /nfs/dbraw/zinc/02/71/60/953027160.db2.gz VNZYJWNCOIEYBX-YPMHNXCESA-N 1 0 382.428 1.190 20 0 GDADRO Cc1ncoc1C[NH+]1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001571204929 953033379 /nfs/dbraw/zinc/03/33/79/953033379.db2.gz DIZJAUQNPPYRMI-UHFFFAOYSA-N 1 0 382.428 1.229 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210150 953070376 /nfs/dbraw/zinc/07/03/76/953070376.db2.gz MKXDSLNEOYRJAR-KBXCAEBGSA-N 1 0 382.468 1.683 20 0 GDADRO C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571210579 953072747 /nfs/dbraw/zinc/07/27/47/953072747.db2.gz SVTRVDSTTRGNDF-CABZTGNLSA-N 1 0 382.440 1.910 20 0 GDADRO O=C(c1cccc(=O)[nH]1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571218672 953118297 /nfs/dbraw/zinc/11/82/97/953118297.db2.gz YGJBHAMZEXPFPK-GFCCVEGCSA-N 1 0 383.387 1.111 20 0 GDADRO CCOc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)on1 ZINC001571218999 953121696 /nfs/dbraw/zinc/12/16/96/953121696.db2.gz JDVWEHMYBFZABC-ZDUSSCGKSA-N 1 0 383.412 1.258 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nn[nH]n1)C12CC[NH+](CC1)C2 ZINC001571219361 953125141 /nfs/dbraw/zinc/12/51/41/953125141.db2.gz XUWLTTLTMUNZDV-HUUCEWRRSA-N 1 0 382.472 1.197 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C1CC(CNC(=O)c2ccon2)C1 ZINC001571219928 953127277 /nfs/dbraw/zinc/12/72/77/953127277.db2.gz TYKAJTPNKQYFSB-UHFFFAOYSA-N 1 0 383.412 1.162 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)c1 ZINC001571229173 953168438 /nfs/dbraw/zinc/16/84/38/953168438.db2.gz AFLGELCAEZODMJ-CQSZACIVSA-N 1 0 383.431 1.596 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571229281 953168535 /nfs/dbraw/zinc/16/85/35/953168535.db2.gz BTOTWVCASJRKJZ-JNSHFYNHSA-N 1 0 383.431 1.675 20 0 GDADRO C[C@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571229396 953169100 /nfs/dbraw/zinc/16/91/00/953169100.db2.gz DJNWGRYUPCCYJW-SWLSCSKDSA-N 1 0 383.431 1.832 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571229394 953169190 /nfs/dbraw/zinc/16/91/90/953169190.db2.gz DJNWGRYUPCCYJW-DOMZBBRYSA-N 1 0 383.431 1.832 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571230016 953173189 /nfs/dbraw/zinc/17/31/89/953173189.db2.gz QXFZFVKGYFWSBB-HNNXBMFYSA-N 1 0 383.431 1.916 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc[nH]2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571230311 953175927 /nfs/dbraw/zinc/17/59/27/953175927.db2.gz UTZUTKZFQZFDLT-BLLLJJGKSA-N 1 0 383.431 1.974 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)C3=COCCC3)[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233371 953192052 /nfs/dbraw/zinc/19/20/52/953192052.db2.gz SZTYGCJBZYLTIH-DZGCQCFKSA-N 1 0 383.456 1.478 20 0 GDADRO Cc1ccc(CC(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571233728 953195496 /nfs/dbraw/zinc/19/54/96/953195496.db2.gz BUVNASUUPWYTAU-CYBMUJFWSA-N 1 0 383.481 1.617 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1ccc(Cl)cn1 ZINC001571235073 953208311 /nfs/dbraw/zinc/20/83/11/953208311.db2.gz RSPUWCPYOJKVED-OKILXGFUSA-N 1 0 383.843 1.966 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ccncc1Cl ZINC001571235176 953209817 /nfs/dbraw/zinc/20/98/17/953209817.db2.gz WARQKMPOMXVPRT-AWEZNQCLSA-N 1 0 383.843 1.919 20 0 GDADRO Cc1c[nH]c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)n1 ZINC001571239698 953241798 /nfs/dbraw/zinc/24/17/98/953241798.db2.gz QITMGGKRMMGCTL-CYBMUJFWSA-N 1 0 384.419 1.384 20 0 GDADRO Cn1cnc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)c1 ZINC001571241933 953251248 /nfs/dbraw/zinc/25/12/48/953251248.db2.gz QCOLJWDSLJZHLH-YEORSEQZSA-N 1 0 384.419 1.038 20 0 GDADRO Cc1ncc(C(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571244613 953264724 /nfs/dbraw/zinc/26/47/24/953264724.db2.gz CGBXPACUMCGVFY-GFCCVEGCSA-N 1 0 384.469 1.474 20 0 GDADRO Cc1nc(CC(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)cs1 ZINC001571244644 953265707 /nfs/dbraw/zinc/26/57/07/953265707.db2.gz CXRHFXOZAKJIGP-GFCCVEGCSA-N 1 0 384.469 1.273 20 0 GDADRO Cc1cc(N(C)[C@H]2CCCN(C(=O)c3ccsn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571244739 953266489 /nfs/dbraw/zinc/26/64/89/953266489.db2.gz HALPBFPBLLQIML-LBPRGKRZSA-N 1 0 384.469 1.768 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3ccsn3)[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245101 953269805 /nfs/dbraw/zinc/26/98/05/953269805.db2.gz NRVLXFGQEZTSAY-NWDGAFQWSA-N 1 0 384.469 1.554 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3ccsn3)[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245105 953270690 /nfs/dbraw/zinc/27/06/90/953270690.db2.gz NRVLXFGQEZTSAY-VXGBXAGGSA-N 1 0 384.469 1.554 20 0 GDADRO C[C@@H]1CN(C(=O)CC2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571247913 953287014 /nfs/dbraw/zinc/28/70/14/953287014.db2.gz IEIFGXXAIUEGMS-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCCO1 ZINC001571247890 953287338 /nfs/dbraw/zinc/28/73/38/953287338.db2.gz HPMCSRXAWGGMKC-QGPMSJSTSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)[C@@H](O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571247951 953288522 /nfs/dbraw/zinc/28/85/22/953288522.db2.gz JHYLXGGQQKCCFH-SOLBZPMBSA-N 1 0 384.484 1.449 20 0 GDADRO Cc1ncoc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571248056 953288836 /nfs/dbraw/zinc/28/88/36/953288836.db2.gz CZKAZJQVYZPGMW-JSGCOSHPSA-N 1 0 384.444 1.570 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CO1 ZINC001571248154 953289861 /nfs/dbraw/zinc/28/98/61/953289861.db2.gz MKMVCYZSCUGZLK-GDBMZVCRSA-N 1 0 384.484 1.715 20 0 GDADRO Cc1nnsc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571248110 953290046 /nfs/dbraw/zinc/29/00/46/953290046.db2.gz MBCSRXDAWPBAIU-XBXGTLAGSA-N 1 0 384.469 1.325 20 0 GDADRO CC1(C)CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001571248168 953290339 /nfs/dbraw/zinc/29/03/39/953290339.db2.gz MQRGEHIAHCKZNL-IAGOWNOFSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001571248314 953291834 /nfs/dbraw/zinc/29/18/34/953291834.db2.gz QEHWGFIQYYLTIE-YOEHRIQHSA-N 1 0 384.484 1.620 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC001571248422 953293107 /nfs/dbraw/zinc/29/31/07/953293107.db2.gz SXADYUBGSQXDPP-WMZOPIPTSA-N 1 0 384.484 1.716 20 0 GDADRO CN(C(=O)[C@H]1CCCCO1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571248445 953293537 /nfs/dbraw/zinc/29/35/37/953293537.db2.gz UCZZKRQNJICIBI-GOSISDBHSA-N 1 0 384.484 1.859 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571248877 953299104 /nfs/dbraw/zinc/29/91/04/953299104.db2.gz KXZZRXVCTHFJHK-WFASDCNBSA-N 1 0 384.444 1.570 20 0 GDADRO O=C([C@H]1CCCCO1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571249151 953301612 /nfs/dbraw/zinc/30/16/12/953301612.db2.gz DYCSXHZQOQOGGX-ZWKOTPCHSA-N 1 0 384.484 1.907 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571249116 953301835 /nfs/dbraw/zinc/30/18/35/953301835.db2.gz DIDIWFPJXDZYGD-HOTGVXAUSA-N 1 0 384.488 1.173 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001571249381 953304315 /nfs/dbraw/zinc/30/43/15/953304315.db2.gz IBAMMBSCZPHDFT-GDBMZVCRSA-N 1 0 384.488 1.079 20 0 GDADRO O=C(C[C@@H]1CCOC1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571250253 953308955 /nfs/dbraw/zinc/30/89/55/953308955.db2.gz PFOMTTSCDXTEDK-FUHWJXTLSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC(O)CC1 ZINC001571250784 953312262 /nfs/dbraw/zinc/31/22/62/953312262.db2.gz SGEKCZUAYKRLQL-FAEJEUNOSA-N 1 0 384.484 1.356 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](C)C2)c(C)o1 ZINC001571251730 953319786 /nfs/dbraw/zinc/31/97/86/953319786.db2.gz VUKAFAFTJKLDMY-HZMBPMFUSA-N 1 0 384.444 1.583 20 0 GDADRO Cc1nc(NCC2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)ccc1-c1nn[nH]n1 ZINC001571251966 953322148 /nfs/dbraw/zinc/32/21/48/953322148.db2.gz CZGOVRNYHMAFQX-NFOMZHRRSA-N 1 0 384.488 1.219 20 0 GDADRO CN(C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(-c2nn[nH]n2)cn1 ZINC001571252136 953324135 /nfs/dbraw/zinc/32/41/35/953324135.db2.gz IFQXRQYXZBBASX-HZPDHXFCSA-N 1 0 384.488 1.173 20 0 GDADRO Cc1noc(C)c1C[N@@H+]1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](C)C1 ZINC001571252142 953324153 /nfs/dbraw/zinc/32/41/53/953324153.db2.gz XGVGOUJQERHJRZ-QMTHXVAHSA-N 1 0 384.444 1.298 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CCNc3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571252488 953328255 /nfs/dbraw/zinc/32/82/55/953328255.db2.gz NUOJCSJPWMBZRO-CABCVRRESA-N 1 0 384.488 1.254 20 0 GDADRO Cc1nc(N[C@H](C)[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)ccc1-c1nn[nH]n1 ZINC001571252511 953329619 /nfs/dbraw/zinc/32/96/19/953329619.db2.gz OBXOEEAHFXASRM-HIFRSBDPSA-N 1 0 384.488 1.315 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571252636 953331027 /nfs/dbraw/zinc/33/10/27/953331027.db2.gz SEXPZWBAEVURHG-DZKIICNBSA-N 1 0 384.488 1.443 20 0 GDADRO O=C(c1ccon1)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571253874 953335386 /nfs/dbraw/zinc/33/53/86/953335386.db2.gz AGARUBSYOKGGPZ-CYBMUJFWSA-N 1 0 385.403 1.778 20 0 GDADRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cocn1 ZINC001571254017 953335688 /nfs/dbraw/zinc/33/56/88/953335688.db2.gz CIADZXFGZFVZBD-FZMZJTMJSA-N 1 0 385.403 1.682 20 0 GDADRO CCc1ocnc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571254829 953343489 /nfs/dbraw/zinc/34/34/89/953343489.db2.gz KIEIIUYXSKMZMS-ZDUSSCGKSA-N 1 0 385.403 1.561 20 0 GDADRO CCc1ncoc1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571255337 953347830 /nfs/dbraw/zinc/34/78/30/953347830.db2.gz NRMBAFIBTVHJHN-ZDUSSCGKSA-N 1 0 385.403 1.561 20 0 GDADRO CC(C)C[NH2+][C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1C(F)(F)F ZINC001571255397 953349204 /nfs/dbraw/zinc/34/92/04/953349204.db2.gz OKDOOHCXPAFRSP-YPMHNXCESA-N 1 0 385.394 1.833 20 0 GDADRO O=C(NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccc(Cl)cn1 ZINC001571255531 953351247 /nfs/dbraw/zinc/35/12/47/953351247.db2.gz NBBJPVIMWMKOFM-UHFFFAOYSA-N 1 0 384.831 1.353 20 0 GDADRO O=C(c1cncc(F)c1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571255778 953356362 /nfs/dbraw/zinc/35/63/62/953356362.db2.gz PKDRHRGJXLBUGX-AWEZNQCLSA-N 1 0 385.378 1.544 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c(F)cc1F ZINC001571255939 953359360 /nfs/dbraw/zinc/35/93/60/953359360.db2.gz RXDZRNMBZSNZNT-PHIMTYICSA-N 1 0 385.378 1.643 20 0 GDADRO COC(=O)C1CC2(C1)C[N@H+](C[C@@H](O)CN(C)Cc1ccccc1)C[C@@H]2C(=O)[O-] ZINC001593825117 955095823 /nfs/dbraw/zinc/09/58/23/955095823.db2.gz XUHMIJXXVSBYSJ-UISNHOIMSA-N 1 0 390.480 1.065 20 0 GDADRO C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000874399405 956156150 /nfs/dbraw/zinc/15/61/50/956156150.db2.gz YPVUWMYTHYRVSV-FUHWJXTLSA-N 1 0 388.512 1.745 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C[C@H]1C[NH+](C)C ZINC001604074956 972467268 /nfs/dbraw/zinc/46/72/68/972467268.db2.gz PBJUALIHDXRIEJ-IAGOWNOFSA-N 1 0 376.501 1.907 20 0 GDADRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001603430557 973181174 /nfs/dbraw/zinc/18/11/74/973181174.db2.gz YEJINPFKNIMOOH-SFHVURJKSA-N 1 0 380.533 1.831 20 0 GDADRO O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)cc2)CC1 ZINC000911338759 982362384 /nfs/dbraw/zinc/36/23/84/982362384.db2.gz CQWMHXKYWWGHLI-OALUTQOASA-N 1 0 386.496 1.849 20 0 GDADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C)c1ccco1 ZINC001594994700 982881956 /nfs/dbraw/zinc/88/19/56/982881956.db2.gz PRDPNHDZKYCUNU-ARFHVFGLSA-N 1 0 380.489 1.899 20 0 GDADRO CC[NH+]1CCC(NC(=O)C[NH2+][C@@](C)(CC(=O)[O-])c2cccc(OC)c2)CC1 ZINC001596409911 983996646 /nfs/dbraw/zinc/99/66/46/983996646.db2.gz ROUTXPIZNBSCAS-FQEVSTJZSA-N 1 0 377.485 1.575 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)[C@@H](C)C[NH2+]1 ZINC001594479608 985517730 /nfs/dbraw/zinc/51/77/30/985517730.db2.gz MDPWAGRNVIBPTE-CABCVRRESA-N 1 0 375.473 1.107 20 0 GDADRO C[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C[C@H]1CC(=O)[O-] ZINC001599855642 989083511 /nfs/dbraw/zinc/08/35/11/989083511.db2.gz GHMCFTLQJAXQQP-IAGOWNOFSA-N 1 0 380.533 1.689 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@]2(C(=O)[O-])CCCC(C)(C)C2)C1 ZINC001591366289 992377083 /nfs/dbraw/zinc/37/70/83/992377083.db2.gz RRSMXAIOFRJQOL-OXJNMPFZSA-N 1 0 383.533 1.473 20 0 GDADRO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cc1C(=O)[O-] ZINC001599608621 993921672 /nfs/dbraw/zinc/92/16/72/993921672.db2.gz RAYAOWXCZNLSKU-UHFFFAOYSA-N 1 0 399.513 1.040 20 0 GDADRO CC1([NH3+])CCN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC1 ZINC001594046823 997708462 /nfs/dbraw/zinc/70/84/62/997708462.db2.gz HEEXNVSHOYLQRR-UHFFFAOYSA-N 1 0 375.473 1.238 20 0 GDADRO C[C@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1CCC(=O)[O-] ZINC001594465693 999684345 /nfs/dbraw/zinc/68/43/45/999684345.db2.gz VGGUDHPHWPBSLU-KRWDZBQOSA-N 1 0 391.512 1.567 20 0 GDADRO COC(=O)c1sc2[nH]c(C[NH2+]C3(CO)Cc4ccccc4C3)nc(=O)c2c1C ZINC000369317473 1126079758 /nfs/dbraw/zinc/07/97/58/1126079758.db2.gz LYBOXUAJMDHLSM-UHFFFAOYSA-N 1 0 399.472 1.699 20 0 GDADRO C[C@]1(n2cc(C[NH2+]C3(CO)Cc4ccccc4C3)cn2)CCS(=O)(=O)C1 ZINC000561491292 1126097205 /nfs/dbraw/zinc/09/72/05/1126097205.db2.gz XKSZWOPPZLRULI-SFHVURJKSA-N 1 0 375.494 1.036 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(=O)n3ccsc3n2)cc1OC ZINC000933446257 1126143474 /nfs/dbraw/zinc/14/34/74/1126143474.db2.gz QWUYPSRWJVDNHL-IBGZPJMESA-N 1 0 389.477 1.857 20 0 GDADRO COC(=O)c1cnc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)cn1 ZINC001198229178 1126155565 /nfs/dbraw/zinc/15/55/65/1126155565.db2.gz JUVBCWHBJRXFDJ-LJQANCHMSA-N 1 0 375.425 1.364 20 0 GDADRO COc1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cc1OCC(N)=O ZINC001262011542 1126161217 /nfs/dbraw/zinc/16/12/17/1126161217.db2.gz OZVWIYJTGJBLIB-FQEVSTJZSA-N 1 0 376.428 1.782 20 0 GDADRO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@@](C)(CO)Cc1ccc(OC)c(OC)c1 ZINC001620625321 1126242511 /nfs/dbraw/zinc/24/25/11/1126242511.db2.gz QSYYCUZQHMXJBF-HXUWFJFHSA-N 1 0 391.468 1.995 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1OC(F)(F)F ZINC000158916150 530537324 /nfs/dbraw/zinc/53/73/24/530537324.db2.gz GVTNTNAREKQLOL-LBPRGKRZSA-N 1 0 382.404 1.710 20 0 GDADRO O=S(=O)(Cc1ccc(Br)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158920106 530537519 /nfs/dbraw/zinc/53/75/19/530537519.db2.gz ZVSJSMAZPIWASN-HNNXBMFYSA-N 1 0 391.331 1.715 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158986613 530538225 /nfs/dbraw/zinc/53/82/25/530538225.db2.gz PSELVHGHBRIXOA-ZUZCIYMTSA-N 1 0 386.315 1.841 20 0 GDADRO C[C@H](NC(=O)NCCN(C)S(=O)(=O)c1cccs1)C(C)(C)C[NH+](C)C ZINC000159194375 530541369 /nfs/dbraw/zinc/54/13/69/530541369.db2.gz NRADDTAJQNQXGJ-ZDUSSCGKSA-N 1 0 390.575 1.644 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@H](C[NH3+])C2CC2)c1F ZINC000159196328 530541461 /nfs/dbraw/zinc/54/14/61/530541461.db2.gz FDTKPMWSXBMYID-SNVBAGLBSA-N 1 0 379.251 1.459 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1OC(F)F ZINC000161705827 530562946 /nfs/dbraw/zinc/56/29/46/530562946.db2.gz RKORQLJHEKXACW-CYBMUJFWSA-N 1 0 378.441 1.803 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000161849939 530563911 /nfs/dbraw/zinc/56/39/11/530563911.db2.gz PDQFTZIGTCGQIJ-UONOGXRCSA-N 1 0 385.555 1.851 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000161944179 530564368 /nfs/dbraw/zinc/56/43/68/530564368.db2.gz DHNGFNSNCFTZLX-OAHLLOKOSA-N 1 0 375.922 1.792 20 0 GDADRO CC(C)C[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000162892753 530571428 /nfs/dbraw/zinc/57/14/28/530571428.db2.gz YTAPULTWUYMVLS-UHFFFAOYSA-N 1 0 391.896 1.977 20 0 GDADRO C[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)[C@@H]1CN(C)CCO1 ZINC000163030700 530572996 /nfs/dbraw/zinc/57/29/96/530572996.db2.gz JEUDINGDZABYAX-PELKAZGASA-N 1 0 399.257 1.725 20 0 GDADRO COc1nc(N2CC[NH+](CCCn3ccnc3C)CC2)ncc1Br ZINC000163232871 530574448 /nfs/dbraw/zinc/57/44/48/530574448.db2.gz YEGMQOPSSXQHJO-UHFFFAOYSA-N 1 0 395.305 1.965 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000163251502 530574964 /nfs/dbraw/zinc/57/49/64/530574964.db2.gz ZMBOLNVEDIGPAF-KGLIPLIRSA-N 1 0 395.308 1.655 20 0 GDADRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000029091113 530593590 /nfs/dbraw/zinc/59/35/90/530593590.db2.gz FXCPYDCRKYEWJH-UHFFFAOYSA-N 1 0 391.946 1.765 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000171087701 530593683 /nfs/dbraw/zinc/59/36/83/530593683.db2.gz FKYNEGQMSWPTDA-UHFFFAOYSA-N 1 0 375.441 1.043 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NCC[NH+]3CCCC3)s2)CC1 ZINC000171622564 530601027 /nfs/dbraw/zinc/60/10/27/530601027.db2.gz LHZXGPKAIABRTC-UHFFFAOYSA-N 1 0 385.555 1.994 20 0 GDADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2COCCO2)CC1 ZINC000041776612 530623753 /nfs/dbraw/zinc/62/37/53/530623753.db2.gz AOGWRMZPHIMUEG-OAHLLOKOSA-N 1 0 384.274 1.555 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000041719783 530624025 /nfs/dbraw/zinc/62/40/25/530624025.db2.gz COQGSSWOTSZZMV-UHFFFAOYSA-N 1 0 397.317 1.531 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)N1CC[NH+](C)CC1 ZINC000173203610 530626193 /nfs/dbraw/zinc/62/61/93/530626193.db2.gz CDKWYUHNBVBRCN-NSHDSACASA-N 1 0 394.310 1.502 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000173201394 530626410 /nfs/dbraw/zinc/62/64/10/530626410.db2.gz MCRHMHGHUNXHGB-LLVKDONJSA-N 1 0 394.310 1.502 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@@H](C)[NH+]2CCCC2)s1 ZINC000042507192 530629462 /nfs/dbraw/zinc/62/94/62/530629462.db2.gz MCENRABZDJDZFQ-UKRRQHHQSA-N 1 0 385.555 1.810 20 0 GDADRO CC[NH+]1CCC(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000043064737 530633291 /nfs/dbraw/zinc/63/32/91/530633291.db2.gz XKTQQOPDTSOVQM-UHFFFAOYSA-N 1 0 393.962 1.965 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000173597521 530633729 /nfs/dbraw/zinc/63/37/29/530633729.db2.gz IDBVZLKERPJULZ-NSHDSACASA-N 1 0 381.278 1.691 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000173919080 530639897 /nfs/dbraw/zinc/63/98/97/530639897.db2.gz HWYLTVJKTDQQCW-MRXNPFEDSA-N 1 0 388.555 1.584 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000044670789 530640125 /nfs/dbraw/zinc/64/01/25/530640125.db2.gz JUDBOKSCXLPDDV-CQSZACIVSA-N 1 0 385.555 1.676 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)C1 ZINC000173954350 530640208 /nfs/dbraw/zinc/64/02/08/530640208.db2.gz GWUZRKUXUKLHFX-HNNXBMFYSA-N 1 0 388.555 1.751 20 0 GDADRO C[C@@H](OC[C@@H](O)C[N@@H+]1CCCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000051534271 530680387 /nfs/dbraw/zinc/68/03/87/530680387.db2.gz AGSGUKIXMVLXFA-PBHICJAKSA-N 1 0 390.933 1.746 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C(C)C)CC2)s1 ZINC000045430423 530644363 /nfs/dbraw/zinc/64/43/63/530644363.db2.gz AFUQSABWVQQCQL-OAHLLOKOSA-N 1 0 385.555 1.762 20 0 GDADRO CC(C)[N@H+](CCO)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000176363128 530682538 /nfs/dbraw/zinc/68/25/38/530682538.db2.gz HEEZVBMTSHROEH-UHFFFAOYSA-N 1 0 375.300 1.740 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174547267 530650518 /nfs/dbraw/zinc/65/05/18/530650518.db2.gz MMFZKQKVNQBNSS-LSDHHAIUSA-N 1 0 385.555 1.749 20 0 GDADRO CN(CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)S(=O)(=O)c1ccc(Cl)s1 ZINC000046994981 530654826 /nfs/dbraw/zinc/65/48/26/530654826.db2.gz MUIBHGMCDYTFFC-VXGBXAGGSA-N 1 0 391.946 1.765 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174906171 530656125 /nfs/dbraw/zinc/65/61/25/530656125.db2.gz DUNHUMLVEKPHJO-UHFFFAOYSA-N 1 0 376.226 1.221 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000175083671 530658792 /nfs/dbraw/zinc/65/87/92/530658792.db2.gz LFVMBZXXJGWTSU-VXGBXAGGSA-N 1 0 394.946 1.895 20 0 GDADRO CC1(C)CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[NH2+]1 ZINC000175429692 530665427 /nfs/dbraw/zinc/66/54/27/530665427.db2.gz CUUCNPKZPYEYNF-UHFFFAOYSA-N 1 0 380.242 1.256 20 0 GDADRO CC1(C)CN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC[NH2+]1 ZINC000175428089 530665563 /nfs/dbraw/zinc/66/55/63/530665563.db2.gz NWFHUILIIFVIDM-UHFFFAOYSA-N 1 0 389.315 1.574 20 0 GDADRO O=C(Nc1cc(Br)ccc1Br)C(=O)N1CC[NH2+]CC1 ZINC000049124330 530672614 /nfs/dbraw/zinc/67/26/14/530672614.db2.gz UBKMWBHOZSLEQA-UHFFFAOYSA-N 1 0 391.063 1.582 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000175974036 530674291 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ZINC000189122306 530907911 /nfs/dbraw/zinc/90/79/11/530907911.db2.gz LALRJPWASFNRLX-CYBMUJFWSA-N 1 0 387.933 1.579 20 0 GDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2F)CCO1 ZINC000116900964 530910000 /nfs/dbraw/zinc/91/00/00/530910000.db2.gz RONOAKGRZRDHQS-LLVKDONJSA-N 1 0 381.267 1.539 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)sc1Cl ZINC000188113401 530885407 /nfs/dbraw/zinc/88/54/07/530885407.db2.gz YJPGWPINJNYBAG-GFCCVEGCSA-N 1 0 391.946 1.637 20 0 GDADRO CC[N@H+](C)CCNC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000112926913 530885949 /nfs/dbraw/zinc/88/59/49/530885949.db2.gz FPTIPPVADIZIOJ-JTQLQIEISA-N 1 0 382.258 1.502 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000188230388 530889638 /nfs/dbraw/zinc/88/96/38/530889638.db2.gz QSJCYXDIRJCFQR-LSDHHAIUSA-N 1 0 388.555 1.630 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Br)cc3N)C2)CC1 ZINC000188390619 530893326 /nfs/dbraw/zinc/89/33/26/530893326.db2.gz ZKCJQKAZGAPJNX-AWEZNQCLSA-N 1 0 381.318 1.883 20 0 GDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)Nc1ccccc1Br ZINC000114602801 530896418 /nfs/dbraw/zinc/89/64/18/530896418.db2.gz SQRKEJRYIPZMRX-UHFFFAOYSA-N 1 0 399.333 1.961 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000119615065 530928966 /nfs/dbraw/zinc/92/89/66/530928966.db2.gz PACIWRBTZVJFJS-SECBINFHSA-N 1 0 397.291 1.837 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000119680884 530929446 /nfs/dbraw/zinc/92/94/46/530929446.db2.gz QPLFUSQJCDUBBG-UHFFFAOYSA-N 1 0 397.360 1.978 20 0 GDADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189437900 530913380 /nfs/dbraw/zinc/91/33/80/530913380.db2.gz JUKUVBNQWBWGMF-GFCCVEGCSA-N 1 0 388.295 1.950 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000118096339 530916160 /nfs/dbraw/zinc/91/61/60/530916160.db2.gz QLEFEWXAKXBYKQ-DLUDVSRJSA-N 1 0 385.917 1.758 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000118095669 530916379 /nfs/dbraw/zinc/91/63/79/530916379.db2.gz OQWHPCWPAUCUDW-CQSZACIVSA-N 1 0 380.286 1.939 20 0 GDADRO O=C(COc1ccc(Br)cc1F)NCCC[NH+]1CCC(O)CC1 ZINC000118722915 530918860 /nfs/dbraw/zinc/91/88/60/530918860.db2.gz OXVCSOQDLNPVMU-UHFFFAOYSA-N 1 0 389.265 1.930 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000189825515 530921755 /nfs/dbraw/zinc/92/17/55/530921755.db2.gz BLDCCFDGMYTLQH-RUZDIDTESA-N 1 0 387.933 1.957 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(NS(C)(=O)=O)c1 ZINC000119047951 530921814 /nfs/dbraw/zinc/92/18/14/530921814.db2.gz IFNUQVAVHLHNGY-GXFFZTMASA-N 1 0 379.404 1.872 20 0 GDADRO C[NH+](C)CCn1nnnc1S[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000119258094 530924019 /nfs/dbraw/zinc/92/40/19/530924019.db2.gz TUQJZVMMHJDJSH-LLVKDONJSA-N 1 0 385.291 1.316 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000190002490 530924050 /nfs/dbraw/zinc/92/40/50/530924050.db2.gz ROOBANLXRVXDJW-CYBMUJFWSA-N 1 0 379.448 1.706 20 0 GDADRO CSCC[C@@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1Br ZINC000119416461 530925455 /nfs/dbraw/zinc/92/54/55/530925455.db2.gz SWPBXTPOFYJITB-CMPLNLGQSA-N 1 0 377.304 1.385 20 0 GDADRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000191989718 530957912 /nfs/dbraw/zinc/95/79/12/530957912.db2.gz LPEHVEMVSQIQCS-QWRGUYRKSA-N 1 0 394.324 1.810 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192032945 530960117 /nfs/dbraw/zinc/96/01/17/530960117.db2.gz NXQCYOVIAUYSDI-UHFFFAOYSA-N 1 0 392.681 1.735 20 0 GDADRO Cn1nc(Br)cc1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000192075166 530961459 /nfs/dbraw/zinc/96/14/59/530961459.db2.gz DGSMHVBSSMZMAK-CYBMUJFWSA-N 1 0 384.322 1.425 20 0 GDADRO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCN(CCO)CC1 ZINC000121839372 530962989 /nfs/dbraw/zinc/96/29/89/530962989.db2.gz GWQCXLQRRPNRRC-UHFFFAOYSA-N 1 0 382.873 1.619 20 0 GDADRO CC(C)C[NH+]1CCC(NC(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000120052652 530935273 /nfs/dbraw/zinc/93/52/73/530935273.db2.gz ILXSSWKXBGGNCE-UHFFFAOYSA-N 1 0 388.559 1.446 20 0 GDADRO CCN(C1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1)S(C)(=O)=O ZINC000121249501 530952786 /nfs/dbraw/zinc/95/27/86/530952786.db2.gz ZWERGYRIGIUYMG-OAHLLOKOSA-N 1 0 390.933 1.826 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1cc(I)ccc1O ZINC000192683488 530973047 /nfs/dbraw/zinc/97/30/47/530973047.db2.gz UKPLGPVPVNSDIL-UHFFFAOYSA-N 1 0 392.237 1.695 20 0 GDADRO CCc1cnc(CN(C)S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)s1 ZINC000192751257 530973742 /nfs/dbraw/zinc/97/37/42/530973742.db2.gz TZQBRAVXOLZNBH-UHFFFAOYSA-N 1 0 385.559 1.901 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)ncc1Br ZINC000192923803 530976299 /nfs/dbraw/zinc/97/62/99/530976299.db2.gz CYJVTNVADFIKEK-LLVKDONJSA-N 1 0 383.290 1.939 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccccc1 ZINC000192958128 530977128 /nfs/dbraw/zinc/97/71/28/530977128.db2.gz SAOYPVFEIMMFSU-CQSZACIVSA-N 1 0 382.511 1.498 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)c1 ZINC000193036634 530978440 /nfs/dbraw/zinc/97/84/40/530978440.db2.gz ZLPUIQZOEJTEIU-CXAGYDPISA-N 1 0 388.555 1.893 20 0 GDADRO C[NH2+]CCCNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000123004523 530978588 /nfs/dbraw/zinc/97/85/88/530978588.db2.gz KZOMZEDHCILFOS-UHFFFAOYSA-N 1 0 376.276 1.222 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(Cl)c1 ZINC000123143114 530980014 /nfs/dbraw/zinc/98/00/14/530980014.db2.gz LROSCSKTVWMKKQ-OAHLLOKOSA-N 1 0 385.917 1.576 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000193157879 530980404 /nfs/dbraw/zinc/98/04/04/530980404.db2.gz XHUBRAGVQIJEQZ-UHFFFAOYSA-N 1 0 387.311 1.429 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193176839 530981219 /nfs/dbraw/zinc/98/12/19/530981219.db2.gz LLEHLDGWCZDART-UHFFFAOYSA-N 1 0 399.289 1.400 20 0 GDADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000193277310 530982799 /nfs/dbraw/zinc/98/27/99/530982799.db2.gz APTJKGYFXSGVFI-SECBINFHSA-N 1 0 381.292 1.600 20 0 GDADRO C[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)CC1 ZINC000193273195 530982824 /nfs/dbraw/zinc/98/28/24/530982824.db2.gz WWUFFQCIKGGZHX-UHFFFAOYSA-N 1 0 390.303 1.780 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)cc1Br ZINC000193266415 530982935 /nfs/dbraw/zinc/98/29/35/530982935.db2.gz CABCMOHTEDYGLF-LLVKDONJSA-N 1 0 390.303 1.685 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000193267306 530982977 /nfs/dbraw/zinc/98/29/77/530982977.db2.gz NGQWEFKVZAVINZ-JTQLQIEISA-N 1 0 375.288 1.614 20 0 GDADRO CC1(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[NH2+]CC1 ZINC000193360237 530984997 /nfs/dbraw/zinc/98/49/97/530984997.db2.gz ZDIPAPXNOGSZAS-UHFFFAOYSA-N 1 0 379.258 1.417 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000193352027 530985035 /nfs/dbraw/zinc/98/50/35/530985035.db2.gz ANZVZIKXSVHKAS-LBPRGKRZSA-N 1 0 391.287 1.656 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000124258423 530993331 /nfs/dbraw/zinc/99/33/31/530993331.db2.gz ZKPRTFNHSRCHLC-RUZDIDTESA-N 1 0 385.917 1.711 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000193815261 530993652 /nfs/dbraw/zinc/99/36/52/530993652.db2.gz RBVPORQJFSLZIH-UHFFFAOYSA-N 1 0 387.571 1.968 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000124568605 530997749 /nfs/dbraw/zinc/99/77/49/530997749.db2.gz BTLPPKLAXGRYDN-UHFFFAOYSA-N 1 0 393.285 1.776 20 0 GDADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000193614856 530990020 /nfs/dbraw/zinc/99/00/20/530990020.db2.gz VONCITHKYZXDSP-NOZJJQNGSA-N 1 0 387.221 1.344 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)c(Br)c1 ZINC000194730442 531009462 /nfs/dbraw/zinc/00/94/62/531009462.db2.gz STRAMSGDPPUIFD-LLVKDONJSA-N 1 0 377.260 1.251 20 0 GDADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000194820339 531010317 /nfs/dbraw/zinc/01/03/17/531010317.db2.gz MXXOIYQMTBJQPW-NSHDSACASA-N 1 0 382.511 1.973 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1ccoc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000194814504 531010548 /nfs/dbraw/zinc/01/05/48/531010548.db2.gz LUMZTTKHEVZATC-NSHDSACASA-N 1 0 393.303 1.623 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000194954180 531012354 /nfs/dbraw/zinc/01/23/54/531012354.db2.gz LDOLUNAVQGCPHX-SNVBAGLBSA-N 1 0 394.324 1.858 20 0 GDADRO C[C@@H](C[S@@](C)=O)N(C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126179012 531015739 /nfs/dbraw/zinc/01/57/39/531015739.db2.gz VFCZMDIAJMTBGC-MQNRADLISA-N 1 0 383.583 1.873 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000195304278 531020263 /nfs/dbraw/zinc/02/02/63/531020263.db2.gz XYYUJTPSUDGQAI-AOOOYVTPSA-N 1 0 391.287 1.306 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000126827355 531023370 /nfs/dbraw/zinc/02/33/70/531023370.db2.gz DXLZDNRSKCLGNK-VIFPVBQESA-N 1 0 378.281 1.526 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126872092 531023439 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COC(=O)NCCc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)s1 ZINC000276481773 531210240 /nfs/dbraw/zinc/21/02/40/531210240.db2.gz LSVQBPFIDDMXCB-LLVKDONJSA-N 1 0 375.516 1.408 20 0 GDADRO CN1CCN(C(=O)Nc2ccc(F)cc2I)[C@@H](C[NH3+])C1 ZINC000519529611 531212802 /nfs/dbraw/zinc/21/28/02/531212802.db2.gz XYSOOSGBPJTYKJ-JTQLQIEISA-N 1 0 392.216 1.537 20 0 GDADRO CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000519539123 531214084 /nfs/dbraw/zinc/21/40/84/531214084.db2.gz BTGBUBHMGYEXEU-SOUVJXGZSA-N 1 0 389.265 1.799 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000408047363 531214817 /nfs/dbraw/zinc/21/48/17/531214817.db2.gz ZQUXIJDALSEDER-UHFFFAOYSA-N 1 0 393.289 1.977 20 0 GDADRO CS(=O)(=O)c1cc(NC(=O)NCC2CC[NH+](CCO)CC2)ccc1Cl ZINC000471907876 531214064 /nfs/dbraw/zinc/21/40/64/531214064.db2.gz ASLFZUZBRBVLFZ-UHFFFAOYSA-N 1 0 389.905 1.569 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)[C@@H](C)C1 ZINC000276577929 531215361 /nfs/dbraw/zinc/21/53/61/531215361.db2.gz JFTDONNKBGCPLH-RYUDHWBXSA-N 1 0 381.527 1.209 20 0 GDADRO O=C1CCC(=O)N1CCC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000519762994 531219521 /nfs/dbraw/zinc/21/95/21/531219521.db2.gz FYNHXBSFHLPDFI-LBPRGKRZSA-N 1 0 375.252 1.862 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000519769660 531220318 /nfs/dbraw/zinc/22/03/18/531220318.db2.gz OSPVMFYQVWDLOY-CABCVRRESA-N 1 0 380.286 1.981 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000519769673 531220337 /nfs/dbraw/zinc/22/03/37/531220337.db2.gz OSPVMFYQVWDLOY-HUUCEWRRSA-N 1 0 380.286 1.981 20 0 GDADRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000276732268 531224755 /nfs/dbraw/zinc/22/47/55/531224755.db2.gz QWLAEQNRKUGUBZ-KRWDZBQOSA-N 1 0 397.361 1.621 20 0 GDADRO C[C@@H]1OCC[C@@H]1S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000520290814 531225221 /nfs/dbraw/zinc/22/52/21/531225221.db2.gz FNACXFKYEAACNZ-UAGQMJEPSA-N 1 0 376.563 1.687 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(Cc3ccc(Br)c4cccnc34)CCN2C1=O ZINC000520254259 531223494 /nfs/dbraw/zinc/22/34/94/531223494.db2.gz QEYDIVLWXYOAJX-WFASDCNBSA-N 1 0 375.270 1.741 20 0 GDADRO O=C(NCCNc1cccc(Br)c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000520566234 531231053 /nfs/dbraw/zinc/23/10/53/531231053.db2.gz IUEPZFFBEYSJDL-AWEZNQCLSA-N 1 0 393.289 1.807 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000520626612 531233119 /nfs/dbraw/zinc/23/31/19/531233119.db2.gz BIDOPPSIQKDZSQ-GFCCVEGCSA-N 1 0 398.276 1.900 20 0 GDADRO CCC1(C)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000349481315 531234248 /nfs/dbraw/zinc/23/42/48/531234248.db2.gz OLBGENFEWQYMNM-UHFFFAOYSA-N 1 0 375.516 1.005 20 0 GDADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)S(=O)(=O)N1CCC[C@H]1C ZINC000472595353 531234924 /nfs/dbraw/zinc/23/49/24/531234924.db2.gz GSFLMTGMWROUCQ-CVEARBPZSA-N 1 0 375.535 1.455 20 0 GDADRO CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000520739183 531235273 /nfs/dbraw/zinc/23/52/73/531235273.db2.gz CHHFJJNRUBUPBN-GOSISDBHSA-N 1 0 376.611 1.851 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCS[C@H](C)CC1 ZINC000276883236 531237246 /nfs/dbraw/zinc/23/72/46/531237246.db2.gz FEDZMIDSJLJGHG-HZSPNIEDSA-N 1 0 385.555 1.727 20 0 GDADRO C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@@H]1CCCOC1 ZINC000472736239 531238837 /nfs/dbraw/zinc/23/88/37/531238837.db2.gz NGBGRIGDDGQWMA-NSHDSACASA-N 1 0 375.878 1.284 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000521626313 531249241 /nfs/dbraw/zinc/24/92/41/531249241.db2.gz GKODMAXBADWPDB-WCQYABFASA-N 1 0 389.315 1.857 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000473274020 531250520 /nfs/dbraw/zinc/25/05/20/531250520.db2.gz RTQCCLIDOIGUPK-PBHICJAKSA-N 1 0 385.917 1.962 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000521227267 531241440 /nfs/dbraw/zinc/24/14/40/531241440.db2.gz BKUUKOHQFZDXFB-OAHLLOKOSA-N 1 0 390.933 1.792 20 0 GDADRO O=c1ccc(Br)cn1CC[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000521228428 531241724 /nfs/dbraw/zinc/24/17/24/531241724.db2.gz ZMKDAAADMQLQLJ-MRXNPFEDSA-N 1 0 381.270 1.778 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000290588726 531243289 /nfs/dbraw/zinc/24/32/89/531243289.db2.gz UBYFCFWVYVUSEY-XJKSGUPXSA-N 1 0 385.917 1.561 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CCC1 ZINC000472906019 531244192 /nfs/dbraw/zinc/24/41/92/531244192.db2.gz KBKNJNCFNOCDBD-UHFFFAOYSA-N 1 0 387.889 1.283 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H](N2CCOCC2)C1 ZINC000265343983 531244912 /nfs/dbraw/zinc/24/49/12/531244912.db2.gz IZWCSXOCYJHKCL-GJZGRUSLSA-N 1 0 378.416 1.293 20 0 GDADRO CC(C)(CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C[NH+]1CCCC1 ZINC000277051920 531252521 /nfs/dbraw/zinc/25/25/21/531252521.db2.gz NTGKCRKZNDTPMT-UHFFFAOYSA-N 1 0 392.518 1.630 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CCCOc2cccc(Cl)c2)[C@@H](N2CCOCC2)C1 ZINC000265370730 531246428 /nfs/dbraw/zinc/24/64/28/531246428.db2.gz OMXJJCNBDOHVAJ-IRXDYDNUSA-N 1 0 388.917 1.196 20 0 GDADRO COc1ccc(Br)c(CS(=O)(=O)NCCOCC[NH+](C)C)c1 ZINC000409513655 531255629 /nfs/dbraw/zinc/25/56/29/531255629.db2.gz NVXLVGNPUNPXCJ-UHFFFAOYSA-N 1 0 395.319 1.455 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000277088396 531256581 /nfs/dbraw/zinc/25/65/81/531256581.db2.gz BEOCLMQGSNTMMM-CABCVRRESA-N 1 0 385.555 1.844 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CC[NH+](CC2CCOCC2)CC1 ZINC000265478445 531257240 /nfs/dbraw/zinc/25/72/40/531257240.db2.gz GHKNBYNQZFVWBH-UHFFFAOYSA-N 1 0 395.305 1.674 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Cl)ncc1Br ZINC000290816741 531258004 /nfs/dbraw/zinc/25/80/04/531258004.db2.gz OIQVKGMVAMLAAL-NSHDSACASA-N 1 0 389.681 1.567 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435247611 531259625 /nfs/dbraw/zinc/25/96/25/531259625.db2.gz XHJCDZVETIBGLN-ZDUSSCGKSA-N 1 0 394.269 1.527 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000522010713 531254133 /nfs/dbraw/zinc/25/41/33/531254133.db2.gz CGEHJHADTRHHOQ-MNOVXSKESA-N 1 0 379.404 1.322 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000435434580 531262741 /nfs/dbraw/zinc/26/27/41/531262741.db2.gz SYUXVIFUZNOACZ-AWEZNQCLSA-N 1 0 389.543 1.136 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCOC(F)(F)F)CC2)cc1 ZINC000474049342 531266632 /nfs/dbraw/zinc/26/66/32/531266632.db2.gz XVJXYOIHZRBDRV-UHFFFAOYSA-N 1 0 382.404 1.974 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000290976074 531269052 /nfs/dbraw/zinc/26/90/52/531269052.db2.gz ZLROUTLJCJJVIW-JTQLQIEISA-N 1 0 382.313 1.728 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COc2ccc(Br)cc2)C1 ZINC000524263764 531275412 /nfs/dbraw/zinc/27/54/12/531275412.db2.gz CIAXEVMAKKDAEN-ZDUSSCGKSA-N 1 0 398.301 1.532 20 0 GDADRO COCCCS(=O)(=O)NCCN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000410086552 531275950 /nfs/dbraw/zinc/27/59/50/531275950.db2.gz FMQSWJHSDJYAEK-INIZCTEOSA-N 1 0 375.922 1.242 20 0 GDADRO Cc1ccc([C@@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435905558 531271227 /nfs/dbraw/zinc/27/12/27/531271227.db2.gz BNEOUKLVDWAELW-ZBFHGGJFSA-N 1 0 376.544 1.340 20 0 GDADRO O=S(=O)(c1ccc(C[NH2+]C2CCS(=O)(=O)CC2)cc1)N1CCCCC1 ZINC000291040133 531273334 /nfs/dbraw/zinc/27/33/34/531273334.db2.gz GJISNRAWRRMEQV-UHFFFAOYSA-N 1 0 386.539 1.528 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1CC(=O)Nc1ccccc1Br ZINC000436053916 531273587 /nfs/dbraw/zinc/27/35/87/531273587.db2.gz OUNCYIUMQHNCPC-CYBMUJFWSA-N 1 0 397.317 1.707 20 0 GDADRO C[C@@H]1CC[N@H+](CCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000524719872 531279819 /nfs/dbraw/zinc/27/98/19/531279819.db2.gz ODFJGWNSGGQTNK-LLVKDONJSA-N 1 0 379.935 1.480 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC[N@H+]2CC[C@H](C)C2)s1 ZINC000524775605 531280555 /nfs/dbraw/zinc/28/05/55/531280555.db2.gz KNOCDJXHYZQADA-DZGCQCFKSA-N 1 0 385.555 1.668 20 0 GDADRO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291118742 531276950 /nfs/dbraw/zinc/27/69/50/531276950.db2.gz LHOHDDBNFKWSFR-AWEZNQCLSA-N 1 0 381.420 1.257 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410497473 531289169 /nfs/dbraw/zinc/28/91/69/531289169.db2.gz JKQWXKPZUVPFKK-AWEZNQCLSA-N 1 0 397.317 1.441 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410497474 531289487 /nfs/dbraw/zinc/28/94/87/531289487.db2.gz JKQWXKPZUVPFKK-CQSZACIVSA-N 1 0 397.317 1.441 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000265841728 531291792 /nfs/dbraw/zinc/29/17/92/531291792.db2.gz NQUIKDZTVHUTDM-LBPRGKRZSA-N 1 0 384.889 1.933 20 0 GDADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000265886190 531296034 /nfs/dbraw/zinc/29/60/34/531296034.db2.gz WKYRXDLERILVAE-LBPRGKRZSA-N 1 0 389.905 1.041 20 0 GDADRO CN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[C@@H]1CCC[N@H+](C)C1 ZINC000525103733 531286179 /nfs/dbraw/zinc/28/61/79/531286179.db2.gz DXAGMIUCEAQSHI-HUUCEWRRSA-N 1 0 385.555 1.844 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C(=O)OCC)C2)C1 ZINC000525187261 531287285 /nfs/dbraw/zinc/28/72/85/531287285.db2.gz SISNIIVPNHFEEJ-CVEARBPZSA-N 1 0 375.535 1.170 20 0 GDADRO COC[C@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H](C)O1 ZINC000525882582 531299548 /nfs/dbraw/zinc/29/95/48/531299548.db2.gz VSTKFPCHRFDOOW-BXUZGUMPSA-N 1 0 382.258 1.693 20 0 GDADRO O=C(NCCc1cccs1)C1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000438689308 531306456 /nfs/dbraw/zinc/30/64/56/531306456.db2.gz ZMHHCDRRPUJTQH-UHFFFAOYSA-N 1 0 385.555 1.154 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)ccc1Cl ZINC000277731741 531306912 /nfs/dbraw/zinc/30/69/12/531306912.db2.gz XPPMEHIMXUVYLV-GXFFZTMASA-N 1 0 375.878 1.250 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000476374128 531309517 /nfs/dbraw/zinc/30/95/17/531309517.db2.gz DCYNOLCQEYPJBL-ZDUSSCGKSA-N 1 0 387.933 1.499 20 0 GDADRO Cc1nccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1Br ZINC000526097018 531307697 /nfs/dbraw/zinc/30/76/97/531307697.db2.gz XEDAULICZJWFOZ-NSHDSACASA-N 1 0 385.306 1.883 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000439203275 531316959 /nfs/dbraw/zinc/31/69/59/531316959.db2.gz XJOUHGCMANDWPF-UHFFFAOYSA-N 1 0 387.889 1.236 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)Cn2cc(Cl)cn2)c1 ZINC000291807545 531314017 /nfs/dbraw/zinc/31/40/17/531314017.db2.gz ZWIJFHHCCATJQC-UHFFFAOYSA-N 1 0 385.877 1.015 20 0 GDADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)nc2)CCCO1 ZINC000277964049 531322226 /nfs/dbraw/zinc/32/22/26/531322226.db2.gz SHEGPQVGXUSHCT-GFCCVEGCSA-N 1 0 381.420 1.880 20 0 GDADRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000478011850 531337633 /nfs/dbraw/zinc/33/76/33/531337633.db2.gz WOCWWWLBKFZNHR-ZYHUDNBSSA-N 1 0 378.782 1.125 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000440409682 531337977 /nfs/dbraw/zinc/33/79/77/531337977.db2.gz OOLXWDOWIGJLGI-XJKSGUPXSA-N 1 0 389.543 1.586 20 0 GDADRO CSc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000440340186 531333457 /nfs/dbraw/zinc/33/34/57/531333457.db2.gz INKCQGGTUDORFO-CQSZACIVSA-N 1 0 383.539 1.241 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000411679277 531333540 /nfs/dbraw/zinc/33/35/40/531333540.db2.gz VWVBXEGVBSHDCS-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO CSc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000440340184 531333898 /nfs/dbraw/zinc/33/38/98/531333898.db2.gz INKCQGGTUDORFO-AWEZNQCLSA-N 1 0 383.539 1.241 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000440349065 531334778 /nfs/dbraw/zinc/33/47/78/531334778.db2.gz LOSOLFJXIIDZDL-UHFFFAOYSA-N 1 0 380.388 1.865 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1Cl ZINC000440351235 531334900 /nfs/dbraw/zinc/33/49/00/531334900.db2.gz CWJDOTTWWLKWAU-CQSZACIVSA-N 1 0 385.917 1.481 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000440350096 531335107 /nfs/dbraw/zinc/33/51/07/531335107.db2.gz OHIRMJMLOKHMEN-UHFFFAOYSA-N 1 0 381.885 1.546 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(c2ccnn2C)C1=O ZINC000477849671 531335447 /nfs/dbraw/zinc/33/54/47/531335447.db2.gz CQFHNBRCIZYTOQ-YPMHNXCESA-N 1 0 381.278 1.553 20 0 GDADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cc(O)ccc1Br ZINC000527751385 531336139 /nfs/dbraw/zinc/33/61/39/531336139.db2.gz BHVROCICMASARJ-KRWDZBQOSA-N 1 0 385.302 1.860 20 0 GDADRO O=C(CSc1nnnn1CC(F)(F)F)NC1CC([NH+]2CCCCC2)C1 ZINC000477953368 531336381 /nfs/dbraw/zinc/33/63/81/531336381.db2.gz DHODVTAVEOXKTD-UHFFFAOYSA-N 1 0 378.424 1.461 20 0 GDADRO Cn1ncc(I)c1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000292299300 531347725 /nfs/dbraw/zinc/34/77/25/531347725.db2.gz IUOIJHOTMDCJHD-LLVKDONJSA-N 1 0 388.253 1.771 20 0 GDADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000440847328 531347953 /nfs/dbraw/zinc/34/79/53/531347953.db2.gz NWBNFUIVBGHSHV-UHFFFAOYSA-N 1 0 378.491 1.239 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000440851508 531347995 /nfs/dbraw/zinc/34/79/95/531347995.db2.gz WCKKUZGDSRUMSU-ZWNOBZJWSA-N 1 0 380.919 1.161 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000440844805 531348097 /nfs/dbraw/zinc/34/80/97/531348097.db2.gz PWTOTTOTNJGMDB-NOZJJQNGSA-N 1 0 391.287 1.512 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000440845265 531348205 /nfs/dbraw/zinc/34/82/05/531348205.db2.gz QXHICDBOKNGFTH-RISCZKNCSA-N 1 0 384.889 1.811 20 0 GDADRO CC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCNC1=O ZINC000440952993 531351556 /nfs/dbraw/zinc/35/15/56/531351556.db2.gz GRJDTEDFQPUNAJ-OCCSQVGLSA-N 1 0 375.238 1.538 20 0 GDADRO CCCc1nnc(SCC(=O)N(CC[NH+](C)C)Cc2cccs2)n1N ZINC000292200487 531340838 /nfs/dbraw/zinc/34/08/38/531340838.db2.gz PHAIPYKKUPMDIB-UHFFFAOYSA-N 1 0 382.559 1.688 20 0 GDADRO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292189576 531340855 /nfs/dbraw/zinc/34/08/55/531340855.db2.gz MYYCJMCBOTWRKR-GFCCVEGCSA-N 1 0 377.869 1.773 20 0 GDADRO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000440643248 531340966 /nfs/dbraw/zinc/34/09/66/531340966.db2.gz FZTZBSTXFQUUFR-MAZHCROVSA-N 1 0 376.906 1.531 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CCO[C@@H](C[NH3+])C1 ZINC000478268498 531341058 /nfs/dbraw/zinc/34/10/58/531341058.db2.gz ZBUYNLSFLXPOGT-GWCFXTLKSA-N 1 0 389.237 1.278 20 0 GDADRO COc1cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c(OC)cc1Br ZINC000440756908 531343723 /nfs/dbraw/zinc/34/37/23/531343723.db2.gz KISGWCUGYZNIEI-UWVGGRQHSA-N 1 0 393.303 1.837 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1(CO)CCCC1 ZINC000440774433 531344339 /nfs/dbraw/zinc/34/43/39/531344339.db2.gz XPQKQJRJJZVWDN-UHFFFAOYSA-N 1 0 389.539 1.539 20 0 GDADRO COC(=O)[C@@H]1CN(Cc2cc3c(c(Br)c2)OCO3)CC[N@H+](C)C1 ZINC000411899830 531345119 /nfs/dbraw/zinc/34/51/19/531345119.db2.gz COTNZYDMZLAUCP-LBPRGKRZSA-N 1 0 385.258 1.714 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000440820725 531346222 /nfs/dbraw/zinc/34/62/22/531346222.db2.gz ZBKJVRRIAQNEHF-IONNQARKSA-N 1 0 389.275 1.450 20 0 GDADRO O=c1[nH]c2cc(Br)c(S(=O)(=O)NCC[C@H]3CCC[NH2+]3)cc2[nH]1 ZINC000440823775 531346729 /nfs/dbraw/zinc/34/67/29/531346729.db2.gz NHARGCFXOWTGOU-MRVPVSSYSA-N 1 0 389.275 1.451 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000292296228 531346975 /nfs/dbraw/zinc/34/69/75/531346975.db2.gz VMJXDXOLRIKQHP-OAHLLOKOSA-N 1 0 399.285 1.812 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC[NH2+]1 ZINC000278255936 531347180 /nfs/dbraw/zinc/34/71/80/531347180.db2.gz NBMJSTLCZJCGGA-RQJHMYQMSA-N 1 0 382.305 1.028 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1Br ZINC000292468156 531357082 /nfs/dbraw/zinc/35/70/82/531357082.db2.gz AWKNHOWLNFNFIY-SNVBAGLBSA-N 1 0 395.319 1.942 20 0 GDADRO COCC1(C(=O)NCc2cn3cc(Br)ccc3n2)CC[NH2+]CC1 ZINC000479194070 531357216 /nfs/dbraw/zinc/35/72/16/531357216.db2.gz WRJYRUKDOHCRHT-UHFFFAOYSA-N 1 0 381.274 1.729 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)C[NH+](C)C ZINC000292504355 531359412 /nfs/dbraw/zinc/35/94/12/531359412.db2.gz XQUIZHNFFIQWIT-SNVBAGLBSA-N 1 0 377.304 1.780 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)c2c(I)cnn2C)CC1 ZINC000292414195 531353125 /nfs/dbraw/zinc/35/31/25/531353125.db2.gz ZKWPRRAJFUGVPM-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000441833671 531364617 /nfs/dbraw/zinc/36/46/17/531364617.db2.gz AHMFVUDCVMABNG-UHFFFAOYSA-N 1 0 392.681 1.735 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000441848693 531365552 /nfs/dbraw/zinc/36/55/52/531365552.db2.gz VKICKXBDGAITNI-UHFFFAOYSA-N 1 0 381.782 1.992 20 0 GDADRO Cn1cc(Br)c(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000292534207 531361638 /nfs/dbraw/zinc/36/16/38/531361638.db2.gz DNUMCTGLZKBCKL-UHFFFAOYSA-N 1 0 393.289 1.259 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CSc1nnnn1CC(F)(F)F ZINC000479611136 531362106 /nfs/dbraw/zinc/36/21/06/531362106.db2.gz CACPZBGERKNPSK-SNVBAGLBSA-N 1 0 380.440 1.516 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000441832277 531364385 /nfs/dbraw/zinc/36/43/85/531364385.db2.gz CQASCAJUQMXFRQ-UHFFFAOYSA-N 1 0 376.226 1.221 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000528798641 531374417 /nfs/dbraw/zinc/37/44/17/531374417.db2.gz WDQSXVYXQXFLHR-NWDGAFQWSA-N 1 0 391.896 1.746 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NC[C@H](C)C[NH+](C)C)s1 ZINC000292611962 531365836 /nfs/dbraw/zinc/36/58/36/531365836.db2.gz LKHDDWPDEVWIJW-QMMMGPOBSA-N 1 0 399.332 1.773 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000528566802 531368787 /nfs/dbraw/zinc/36/87/87/531368787.db2.gz FXAKKWLGPAELCU-RYUDHWBXSA-N 1 0 389.880 1.453 20 0 GDADRO Cn1ncc(I)c1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000292656364 531368893 /nfs/dbraw/zinc/36/88/93/531368893.db2.gz FCVZDKBDKITDOU-UHFFFAOYSA-N 1 0 376.242 1.629 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000528659799 531371086 /nfs/dbraw/zinc/37/10/86/531371086.db2.gz YPROLMYGDWZZIR-QWRGUYRKSA-N 1 0 377.869 1.356 20 0 GDADRO CCOC[C@@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)CCO1 ZINC000528725399 531373193 /nfs/dbraw/zinc/37/31/93/531373193.db2.gz YEQLHZVQCKOHDO-AWEZNQCLSA-N 1 0 382.258 1.694 20 0 GDADRO CC(C)OCC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000266999554 531385084 /nfs/dbraw/zinc/38/50/84/531385084.db2.gz MSRLOOMDTKADRX-UHFFFAOYSA-N 1 0 389.543 1.032 20 0 GDADRO Cn1nc2c(cc1=O)C[N@@H+](C[C@@](C)(O)c1ccc(Br)cc1F)CC2 ZINC000292877601 531385629 /nfs/dbraw/zinc/38/56/29/531385629.db2.gz TWJRFVOYWLKEAM-QGZVFWFLSA-N 1 0 396.260 1.948 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(I)cnn2C)C1 ZINC000292899272 531387872 /nfs/dbraw/zinc/38/78/72/531387872.db2.gz UVOWIXWORHLMIO-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO C[NH+](C)CCCNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000292933928 531390283 /nfs/dbraw/zinc/39/02/83/531390283.db2.gz IUJOFQZMMRMZTG-UHFFFAOYSA-N 1 0 390.303 1.564 20 0 GDADRO O=S1(=O)CC[C@@H](NC[C@@H]2COCC[NH2+]2)c2cc(Br)ccc21 ZINC000530220413 531391041 /nfs/dbraw/zinc/39/10/41/531391041.db2.gz AUCUZLCSNFPCMT-DGCLKSJQSA-N 1 0 375.288 1.246 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N(C)CC[NH+](C)C ZINC000267052462 531391759 /nfs/dbraw/zinc/39/17/59/531391759.db2.gz FFCTYKAUVIAYDQ-INIZCTEOSA-N 1 0 387.571 1.415 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC3([S@](C)=O)CC3)CC2)cc1 ZINC000442817974 531377240 /nfs/dbraw/zinc/37/72/40/531377240.db2.gz FWEVYTVRLGTWMF-DEOSSOPVSA-N 1 0 386.539 1.349 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)[C@@H]2C1 ZINC000528984542 531377387 /nfs/dbraw/zinc/37/73/87/531377387.db2.gz GMEXBWZJYXKRQT-IAQYHMDHSA-N 1 0 389.880 1.310 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)c1c(I)cnn1C ZINC000292781873 531377607 /nfs/dbraw/zinc/37/76/07/531377607.db2.gz MCDZZLXMFWPVLS-UHFFFAOYSA-N 1 0 376.242 1.439 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@@H](C)C[C@@H]2C)cc[nH+]1 ZINC000349599853 531378564 /nfs/dbraw/zinc/37/85/64/531378564.db2.gz BUWQGVARHGGRCH-ZFWWWQNUSA-N 1 0 389.543 1.394 20 0 GDADRO CC[C@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)[C@@H](O)C(F)(F)F ZINC000480909974 531382379 /nfs/dbraw/zinc/38/23/79/531382379.db2.gz LPLWPPULIOQDNQ-WCQYABFASA-N 1 0 386.440 1.042 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H](C(CC)CC)[NH+](C)C)C1 ZINC000530544710 531398117 /nfs/dbraw/zinc/39/81/17/531398117.db2.gz BGERFKIEDMKQBE-CVEARBPZSA-N 1 0 377.551 1.462 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000267114080 531398935 /nfs/dbraw/zinc/39/89/35/531398935.db2.gz NZTCHZXPJKNZKP-HNNXBMFYSA-N 1 0 391.946 1.415 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)NCc2cccc(Br)c2)CC[N@H+](C)C1 ZINC000413201358 531399410 /nfs/dbraw/zinc/39/94/10/531399410.db2.gz NFPRDHUJRGUMQU-ZDUSSCGKSA-N 1 0 384.274 1.695 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C[C@H](C)CC1CCOCC1 ZINC000482524980 531400447 /nfs/dbraw/zinc/40/04/47/531400447.db2.gz BTHMYFMTFZLOIB-LLVKDONJSA-N 1 0 377.532 1.478 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000278899667 531400518 /nfs/dbraw/zinc/40/05/18/531400518.db2.gz ISBQRFWRCHYNJK-VHSXEESVSA-N 1 0 378.420 1.749 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)NCCc2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413282454 531401723 /nfs/dbraw/zinc/40/17/23/531401723.db2.gz QHLHDLSBMCKNNG-AWEZNQCLSA-N 1 0 398.301 1.738 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000267137045 531401778 /nfs/dbraw/zinc/40/17/78/531401778.db2.gz IYUCIXMMVBKONK-UHFFFAOYSA-N 1 0 391.921 1.241 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000267166520 531406506 /nfs/dbraw/zinc/40/65/06/531406506.db2.gz SKHUKMUFCDOPIL-UHFFFAOYSA-N 1 0 389.543 1.091 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000484146204 531417285 /nfs/dbraw/zinc/41/72/85/531417285.db2.gz UKUHLYDXJVUFJT-MNOVXSKESA-N 1 0 379.404 1.179 20 0 GDADRO COC(=O)CSCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000483697279 531414334 /nfs/dbraw/zinc/41/43/34/531414334.db2.gz KPOFAOQLGJINHF-UHFFFAOYSA-N 1 0 389.587 1.944 20 0 GDADRO CCc1n[nH]c(C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1Br ZINC000279233084 531421774 /nfs/dbraw/zinc/42/17/74/531421774.db2.gz NFLLSUXFZONEIH-GFCCVEGCSA-N 1 0 384.322 1.587 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)CCc2ccccc2Br)CC[N@H+](C)C1 ZINC000413898569 531421851 /nfs/dbraw/zinc/42/18/51/531421851.db2.gz BNILYSATLMANNQ-CQSZACIVSA-N 1 0 383.286 1.945 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c(Br)c1 ZINC000447248214 531423277 /nfs/dbraw/zinc/42/32/77/531423277.db2.gz KSWCGFJEQCXEJM-SKDRFNHKSA-N 1 0 391.287 1.594 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000447245785 531422201 /nfs/dbraw/zinc/42/22/01/531422201.db2.gz NWCJCNRWWNXUSV-NWDGAFQWSA-N 1 0 384.889 1.892 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cccc(I)c1 ZINC000447246124 531422271 /nfs/dbraw/zinc/42/22/71/531422271.db2.gz OLBDJOSGXOICQL-VHSXEESVSA-N 1 0 380.251 1.649 20 0 GDADRO O=C(COc1ccc(I)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293442618 531422612 /nfs/dbraw/zinc/42/26/12/531422612.db2.gz OYDBNQCVDUNFMO-FZMZJTMJSA-N 1 0 386.233 1.880 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413911747 531422960 /nfs/dbraw/zinc/42/29/60/531422960.db2.gz YYUDQKNCQVWIHF-AWEZNQCLSA-N 1 0 383.286 1.945 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 ZINC000484752818 531423172 /nfs/dbraw/zinc/42/31/72/531423172.db2.gz JTCYHIDDIDOXJL-UHFFFAOYSA-N 1 0 390.527 1.944 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CCSC1 ZINC000267310323 531419176 /nfs/dbraw/zinc/41/91/76/531419176.db2.gz NMLNYDGKXHRZLM-MRXNPFEDSA-N 1 0 380.905 1.547 20 0 GDADRO Cc1c(Cl)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)sc1S(N)(=O)=O ZINC000279201998 531419357 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378.885 1.919 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1I)C[NH+]1CCCCC1 ZINC000293769794 531441896 /nfs/dbraw/zinc/44/18/96/531441896.db2.gz KTOSKLVCUDCHGW-NSHDSACASA-N 1 0 390.269 1.877 20 0 GDADRO C[N@H+](CC(=O)NCc1nc2cc(Br)cnc2[nH]1)[C@@H]1CCSC1 ZINC000534276088 531437913 /nfs/dbraw/zinc/43/79/13/531437913.db2.gz UWWVDDYVVWFWQY-SNVBAGLBSA-N 1 0 384.303 1.774 20 0 GDADRO C[C@H](CNCc1ccc(S(N)(=O)=O)c(Br)c1)C[NH+]1CCCC1 ZINC000414292121 531438062 /nfs/dbraw/zinc/43/80/62/531438062.db2.gz OPMLJEHOFSQOMV-GFCCVEGCSA-N 1 0 390.347 1.918 20 0 GDADRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1Cl ZINC000485668631 531438501 /nfs/dbraw/zinc/43/85/01/531438501.db2.gz CQBMDAULWINNOS-LBPRGKRZSA-N 1 0 375.878 1.430 20 0 GDADRO CC[N@@H+]1CC[C@H](CNCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414303784 531438778 /nfs/dbraw/zinc/43/87/78/531438778.db2.gz DQSPPWIMGDNVIS-GFCCVEGCSA-N 1 0 376.320 1.528 20 0 GDADRO Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)C[N@@H+](C)[C@@H]2CCSC2)s1 ZINC000534304321 531439191 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GDADRO Cc1oc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1S(=O)(=O)N1CCCC1 ZINC000449725404 531475464 /nfs/dbraw/zinc/47/54/64/531475464.db2.gz VGYDDRPRSSSBNN-LBPRGKRZSA-N 1 0 383.392 1.382 20 0 GDADRO CCOC(=O)c1c(NC(=O)N2CCO[C@H](C[NH3+])C2)sc2c1CCSC2 ZINC000415331395 531475607 /nfs/dbraw/zinc/47/56/07/531475607.db2.gz GSQDUHAODLGGHF-SNVBAGLBSA-N 1 0 385.511 1.906 20 0 GDADRO O=C(Nc1ccc(Br)c2cccnc12)C(=O)N1CCC[NH2+]CC1 ZINC000415331144 531475848 /nfs/dbraw/zinc/47/58/48/531475848.db2.gz ZYWPCLABYHGUBQ-UHFFFAOYSA-N 1 0 377.242 1.758 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)cc1Br ZINC000415335009 531476569 /nfs/dbraw/zinc/47/65/69/531476569.db2.gz QUOWESAVUADLEI-NSHDSACASA-N 1 0 384.274 1.902 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000487737692 531477009 /nfs/dbraw/zinc/47/70/09/531477009.db2.gz JCYKXUUXTAPZJP-UHFFFAOYSA-N 1 0 385.555 1.764 20 0 GDADRO COC(=O)[C@H]1CN(Cc2ncc(I)s2)CC[N@H+](C)C1 ZINC000414481118 531458249 /nfs/dbraw/zinc/45/82/49/531458249.db2.gz BODCUSVGGDCRPE-SECBINFHSA-N 1 0 395.266 1.284 20 0 GDADRO C[NH2+]CCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000414680704 531461892 /nfs/dbraw/zinc/46/18/92/531461892.db2.gz NRUKALQRRNKQOX-UHFFFAOYSA-N 1 0 390.893 1.092 20 0 GDADRO C[C@@H]1CN(C(=O)c2csc(S(C)(=O)=O)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362671365 531462313 /nfs/dbraw/zinc/46/23/13/531462313.db2.gz WFEQGEMGUUGXQP-HIFRSBDPSA-N 1 0 385.555 1.250 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1COCCO1 ZINC000449090052 531466092 /nfs/dbraw/zinc/46/60/92/531466092.db2.gz MCSRYWOZBXXROQ-RISCZKNCSA-N 1 0 387.274 1.467 20 0 GDADRO CCOC(=O)c1c(NC(=O)NC[C@H]2C[NH2+]CCO2)sc2c1CCSC2 ZINC000415345570 531477557 /nfs/dbraw/zinc/47/75/57/531477557.db2.gz YNESYGVVEKIFEL-SNVBAGLBSA-N 1 0 385.511 1.824 20 0 GDADRO Cn1cc(N2CC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000362947346 531466856 /nfs/dbraw/zinc/46/68/56/531466856.db2.gz KQKYCMMWOOXUFP-DZGCQCFKSA-N 1 0 378.274 1.578 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[S@@](C)=O ZINC000449164005 531467793 /nfs/dbraw/zinc/46/77/93/531467793.db2.gz XTIOXSQQNIBGAZ-KPWVOAKYSA-N 1 0 391.331 1.821 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363020827 531468018 /nfs/dbraw/zinc/46/80/18/531468018.db2.gz VTVDGLGJFQNNAD-KGLIPLIRSA-N 1 0 385.917 1.751 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1ccc(F)cc1I ZINC000415253662 531468911 /nfs/dbraw/zinc/46/89/11/531468911.db2.gz QQZCFCHMKPTOPG-UHFFFAOYSA-N 1 0 381.189 1.788 20 0 GDADRO O=C(Nc1cccc(F)c1I)C(=O)NC1CC[NH2+]CC1 ZINC000415273866 531470262 /nfs/dbraw/zinc/47/02/62/531470262.db2.gz XNCRGPLKEUXBQT-UHFFFAOYSA-N 1 0 391.184 1.237 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2OC)C1 ZINC000415279508 531470787 /nfs/dbraw/zinc/47/07/87/531470787.db2.gz HMDVANWQPCFRBM-LLVKDONJSA-N 1 0 384.274 1.854 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(F)c2I)C1 ZINC000415291802 531471578 /nfs/dbraw/zinc/47/15/78/531471578.db2.gz APQAAWSLLLCEKK-MRVPVSSYSA-N 1 0 391.184 1.189 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415348719 531477806 /nfs/dbraw/zinc/47/78/06/531477806.db2.gz WCAXRUIXCYBRCK-JTQLQIEISA-N 1 0 377.242 1.756 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(c(Br)c1)OCO2 ZINC000363103266 531472397 /nfs/dbraw/zinc/47/23/97/531472397.db2.gz FYPYKFCYAUGEHP-NEPJUHHUSA-N 1 0 383.242 1.771 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@H]1CCC[NH2+]C1 ZINC000415352601 531478534 /nfs/dbraw/zinc/47/85/34/531478534.db2.gz PRAJBASDGZYFTL-PWSUYJOCSA-N 1 0 398.276 1.982 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Br)cn1 ZINC000280173400 531478864 /nfs/dbraw/zinc/47/88/64/531478864.db2.gz ZHZBHOJNMFYPHJ-NWDGAFQWSA-N 1 0 383.290 1.431 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415363927 531479318 /nfs/dbraw/zinc/47/93/18/531479318.db2.gz FRVZEVVCOAWBOE-UHFFFAOYSA-N 1 0 380.246 1.299 20 0 GDADRO CC[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187043 531479614 /nfs/dbraw/zinc/47/96/14/531479614.db2.gz ANWGYOKNKRWCSY-LZWOXQAQSA-N 1 0 390.933 1.934 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415368309 531479701 /nfs/dbraw/zinc/47/97/01/531479701.db2.gz ADIVFNNBKMAUCQ-SECBINFHSA-N 1 0 376.201 1.876 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415366791 531480050 /nfs/dbraw/zinc/48/00/50/531480050.db2.gz ZJNRSBXFWCPUKX-UHFFFAOYSA-N 1 0 384.152 1.622 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415377233 531480396 /nfs/dbraw/zinc/48/03/96/531480396.db2.gz DSHVMQYFGJPTQL-UHFFFAOYSA-N 1 0 376.226 1.779 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000415374364 531480507 /nfs/dbraw/zinc/48/05/07/531480507.db2.gz VNUOSHDUTPZKSW-JTQLQIEISA-N 1 0 387.267 1.245 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415378054 531480851 /nfs/dbraw/zinc/48/08/51/531480851.db2.gz OXNNCHJPBSVJBU-JTQLQIEISA-N 1 0 380.246 1.427 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)ccc1Br ZINC000415380170 531481403 /nfs/dbraw/zinc/48/14/03/531481403.db2.gz PCOROMGZOWIONG-JTQLQIEISA-N 1 0 384.230 1.042 20 0 GDADRO C[C@H](NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000543757865 531482008 /nfs/dbraw/zinc/48/20/08/531482008.db2.gz MIDAFKKDWJJQBY-ZDUSSCGKSA-N 1 0 385.917 1.775 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000415394704 531482283 /nfs/dbraw/zinc/48/22/83/531482283.db2.gz MYNNFSNLNHEPBM-JTQLQIEISA-N 1 0 387.221 1.298 20 0 GDADRO C[NH+]1CCN(CCNC(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000294541841 531484246 /nfs/dbraw/zinc/48/42/46/531484246.db2.gz VEDHJKMKSKJMIY-UHFFFAOYSA-N 1 0 376.245 1.905 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)cc1Br ZINC000415413507 531484372 /nfs/dbraw/zinc/48/43/72/531484372.db2.gz YTOSMCCSIMBPTC-LLVKDONJSA-N 1 0 384.274 1.902 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000415409485 531484488 /nfs/dbraw/zinc/48/44/88/531484488.db2.gz DMKLNLPMJVITQP-LBPRGKRZSA-N 1 0 384.933 1.803 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1Br ZINC000415434155 531485816 /nfs/dbraw/zinc/48/58/16/531485816.db2.gz ACBZSKXJRXGMIJ-SNVBAGLBSA-N 1 0 386.246 1.274 20 0 GDADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000544749961 531488257 /nfs/dbraw/zinc/48/82/57/531488257.db2.gz JQYLKFTVBJUASU-UHFFFAOYSA-N 1 0 389.543 1.093 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415470841 531489966 /nfs/dbraw/zinc/48/99/66/531489966.db2.gz YJLCDHUQRSDHBW-CMPLNLGQSA-N 1 0 384.274 1.982 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415497212 531490650 /nfs/dbraw/zinc/49/06/50/531490650.db2.gz OWOTXVQCHRTLLE-SECBINFHSA-N 1 0 376.201 1.876 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(C)cc1OC ZINC000415505916 531490954 /nfs/dbraw/zinc/49/09/54/531490954.db2.gz ZROBOKHAHBGSMI-LLVKDONJSA-N 1 0 384.274 1.915 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415517896 531491577 /nfs/dbraw/zinc/49/15/77/531491577.db2.gz LSJKAQCOGXTWLW-SSDOTTSWSA-N 1 0 379.173 1.080 20 0 GDADRO COc1cc(OC)c(NC(=O)NCCN2CC[NH2+]CC2)cc1Br ZINC000415529765 531491610 /nfs/dbraw/zinc/49/16/10/531491610.db2.gz QNVBISPHJKNALG-UHFFFAOYSA-N 1 0 387.278 1.493 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415519647 531491984 /nfs/dbraw/zinc/49/19/84/531491984.db2.gz NXROVHKEZQEECB-LURJTMIESA-N 1 0 397.163 1.219 20 0 GDADRO O=C(Cc1ccc(I)cc1)NCC[NH+]1CCSCC1 ZINC000488968983 531492253 /nfs/dbraw/zinc/49/22/53/531492253.db2.gz CQFCNWZOAVGCAE-UHFFFAOYSA-N 1 0 390.290 1.999 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Nc1cncc(Br)c1 ZINC000415356980 531478246 /nfs/dbraw/zinc/47/82/46/531478246.db2.gz RDDGTHNWBOWBAP-ZDUSSCGKSA-N 1 0 384.278 1.696 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415659525 531510842 /nfs/dbraw/zinc/51/08/42/531510842.db2.gz AIHDCLZVYCWEGR-GXSJLCMTSA-N 1 0 398.257 1.431 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCN(C)CCC[NH+](C)C)cc1Br ZINC000658428738 531511136 /nfs/dbraw/zinc/51/11/36/531511136.db2.gz YSHNWNJWKPABLO-UHFFFAOYSA-N 1 0 399.333 1.696 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2I)CC[NH2+]1 ZINC000415667843 531512125 /nfs/dbraw/zinc/51/21/25/531512125.db2.gz YQSJUTGWPDFCQL-ZJUUUORDSA-N 1 0 387.221 1.486 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280575639 531513171 /nfs/dbraw/zinc/51/31/71/531513171.db2.gz KSFSCTOOPUFCDC-VHSXEESVSA-N 1 0 388.291 1.427 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1Br ZINC000415688698 531513985 /nfs/dbraw/zinc/51/39/85/531513985.db2.gz KIVYQWOJXIRKRJ-MRXNPFEDSA-N 1 0 384.274 1.984 20 0 GDADRO OCCC[N@@H+]1CCC[C@@H](NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000295020836 531514337 /nfs/dbraw/zinc/51/43/37/531514337.db2.gz CGHGEJSAMVDDNI-CQSZACIVSA-N 1 0 394.317 1.966 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415694421 531515792 /nfs/dbraw/zinc/51/57/92/531515792.db2.gz RAHKYEPRZXENNS-INIZCTEOSA-N 1 0 384.274 1.902 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2ccc(Br)c(C)c2)CC[NH2+]CC1 ZINC000415704325 531516722 /nfs/dbraw/zinc/51/67/22/531516722.db2.gz JWNHTAUSMZVMBI-UHFFFAOYSA-N 1 0 398.301 1.828 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1F ZINC000490053199 531518398 /nfs/dbraw/zinc/51/83/98/531518398.db2.gz IUXAXKWCLNSJSO-LLVKDONJSA-N 1 0 381.495 1.063 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)[C@@H](C)C[NH2+]1 ZINC000415556536 531494342 /nfs/dbraw/zinc/49/43/42/531494342.db2.gz IJEZHUAUQOGVRF-ZJUUUORDSA-N 1 0 381.274 1.869 20 0 GDADRO C[C@@H]([NH3+])c1ccc(NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 ZINC000415717375 531518730 /nfs/dbraw/zinc/51/87/30/531518730.db2.gz DMVZWGNDPXQHRT-BXKDBHETSA-N 1 0 382.408 1.650 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)NCC2([NH3+])CCC2)c1 ZINC000415558712 531494398 /nfs/dbraw/zinc/49/43/98/531494398.db2.gz JNBNFDZQVGLCLV-UHFFFAOYSA-N 1 0 387.221 1.536 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1Br ZINC000415564971 531495447 /nfs/dbraw/zinc/49/54/47/531495447.db2.gz ONGJCGFZFZEEAE-NXEZZACHSA-N 1 0 398.257 1.383 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415566089 531495487 /nfs/dbraw/zinc/49/54/87/531495487.db2.gz IUPJLSUKGVBHPH-JGVFFNPUSA-N 1 0 376.201 1.862 20 0 GDADRO CS(=O)(=O)Nc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Cl ZINC000363629435 531495536 /nfs/dbraw/zinc/49/55/36/531495536.db2.gz YFFVIFZCBKYHRJ-OLZOCXBDSA-N 1 0 387.889 1.305 20 0 GDADRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000280423237 531496037 /nfs/dbraw/zinc/49/60/37/531496037.db2.gz RBOIZJXUMOIHTA-DYVFJYSZSA-N 1 0 394.269 1.539 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(F)(F)c1ccccc1Br ZINC000294764240 531496559 /nfs/dbraw/zinc/49/65/59/531496559.db2.gz YKGCJQZBCUNKEO-NSHDSACASA-N 1 0 376.245 1.903 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000415568408 531496556 /nfs/dbraw/zinc/49/65/56/531496556.db2.gz QVCHHLKCAQWNJR-YUMQZZPRSA-N 1 0 376.201 1.875 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415576913 531496727 /nfs/dbraw/zinc/49/67/27/531496727.db2.gz YOENPBZACBDXKC-UHFFFAOYSA-N 1 0 380.246 1.428 20 0 GDADRO CC(C)[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC000489369520 531497947 /nfs/dbraw/zinc/49/79/47/531497947.db2.gz MRBUBQCUNYRTTH-LLVKDONJSA-N 1 0 379.935 1.478 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000415586960 531498251 /nfs/dbraw/zinc/49/82/51/531498251.db2.gz YKYVGMSTOONHLF-NXEZZACHSA-N 1 0 387.221 1.425 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000635590743 531498348 /nfs/dbraw/zinc/49/83/48/531498348.db2.gz YHMOWZIQYIYQHB-BFHYXJOUSA-N 1 0 382.448 1.686 20 0 GDADRO Cn1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1=O ZINC000658125664 531500828 /nfs/dbraw/zinc/50/08/28/531500828.db2.gz IZFCKPCKWJVSLL-NSHDSACASA-N 1 0 399.289 1.075 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(Br)cc1 ZINC000363682575 531501039 /nfs/dbraw/zinc/50/10/39/531501039.db2.gz LETOGGXUQPDQAV-UONOGXRCSA-N 1 0 382.258 1.367 20 0 GDADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000581596740 531501093 /nfs/dbraw/zinc/50/10/93/531501093.db2.gz ONYOKNSPTSDXDH-UONOGXRCSA-N 1 0 388.917 1.985 20 0 GDADRO COc1nc(N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)ncc1Br ZINC000635657175 531501225 /nfs/dbraw/zinc/50/12/25/531501225.db2.gz XLDVGMWFSNJHQN-UHFFFAOYSA-N 1 0 398.305 1.238 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415596644 531501509 /nfs/dbraw/zinc/50/15/09/531501509.db2.gz IDKNDKKFBGVATI-ZCFIWIBFSA-N 1 0 379.052 1.614 20 0 GDADRO CCN(CCC[NH+]1CCCC1)C(=O)c1c(I)cnn1C ZINC000294840404 531501528 /nfs/dbraw/zinc/50/15/28/531501528.db2.gz HVSVHKCQFVEUSW-UHFFFAOYSA-N 1 0 390.269 1.973 20 0 GDADRO C[C@@H]1CCS(=O)(=O)CCN1C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000556800033 531502408 /nfs/dbraw/zinc/50/24/08/531502408.db2.gz YPZORSKORNZIRC-JHJVBQTASA-N 1 0 384.464 1.931 20 0 GDADRO C[C@@H](NC(=O)Cc1cc(Cl)ccc1Br)C(=O)NCC[NH+](C)C ZINC000581616990 531502438 /nfs/dbraw/zinc/50/24/38/531502438.db2.gz FYRQMTBMLCDCEU-SNVBAGLBSA-N 1 0 390.709 1.828 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000548106515 531502969 /nfs/dbraw/zinc/50/29/69/531502969.db2.gz ZGHYOOVJSAOXIK-IAQYHMDHSA-N 1 0 380.286 1.778 20 0 GDADRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1nc2ccc(Br)cc2o1 ZINC000581605872 531503938 /nfs/dbraw/zinc/50/39/38/531503938.db2.gz DUEWIENFGUZYFX-HNNXBMFYSA-N 1 0 379.214 1.764 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415626836 531504355 /nfs/dbraw/zinc/50/43/55/531504355.db2.gz RNHYOUIDIXTEAQ-GXSJLCMTSA-N 1 0 381.889 1.855 20 0 GDADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000294901028 531504934 /nfs/dbraw/zinc/50/49/34/531504934.db2.gz XGRMNWHGQRKCCS-QMTHXVAHSA-N 1 0 380.279 1.658 20 0 GDADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[N@H+](CC)CCO)c1 ZINC000489618136 531505076 /nfs/dbraw/zinc/50/50/76/531505076.db2.gz NUQLCMRFCZEWNI-UHFFFAOYSA-N 1 0 378.878 1.109 20 0 GDADRO COc1nc(N2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)ncc1Br ZINC000294913031 531506960 /nfs/dbraw/zinc/50/69/60/531506960.db2.gz HXXYKKVDUVQKII-LBPRGKRZSA-N 1 0 398.305 1.286 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)C1 ZINC000635882970 531519251 /nfs/dbraw/zinc/51/92/51/531519251.db2.gz RWWKIQNRZWPTQJ-BLLLJJGKSA-N 1 0 380.286 1.790 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1sccc1COC)[C@H]1CCS(=O)(=O)C1 ZINC000489649833 531507564 /nfs/dbraw/zinc/50/75/64/531507564.db2.gz ODCNNHYIGVQBAT-HNNXBMFYSA-N 1 0 388.555 1.866 20 0 GDADRO Cc1nn(C)c(NC(=O)C(=O)N[C@@H](C)C[NH3+])c1-c1ccc(Br)cc1 ZINC000415657707 531508347 /nfs/dbraw/zinc/50/83/47/531508347.db2.gz QIFCTXQNZODKIX-VIFPVBQESA-N 1 0 394.273 1.560 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000415653054 531508379 /nfs/dbraw/zinc/50/83/79/531508379.db2.gz FECLKZXAKOQTEW-SECBINFHSA-N 1 0 386.246 1.288 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000415655004 531508542 /nfs/dbraw/zinc/50/85/42/531508542.db2.gz SJLNVSFARSLTEW-NXEZZACHSA-N 1 0 398.257 1.560 20 0 GDADRO CCS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)[C@H](C)C1 ZINC000581683806 531508798 /nfs/dbraw/zinc/50/87/98/531508798.db2.gz IDGFJBJHGXHGKD-KGLIPLIRSA-N 1 0 388.559 1.416 20 0 GDADRO Cc1c(I)cccc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000268414783 531509738 /nfs/dbraw/zinc/50/97/38/531509738.db2.gz USQDAHHAJAIXBD-GFCCVEGCSA-N 1 0 387.265 1.575 20 0 GDADRO CN(C)S(=O)(=O)C[C@H](NC(=O)NCC1([NH3+])CCCCCC1)C(F)(F)F ZINC000415723173 531520590 /nfs/dbraw/zinc/52/05/90/531520590.db2.gz LWTAENPCEILJNF-NSHDSACASA-N 1 0 388.456 1.160 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415741363 531521660 /nfs/dbraw/zinc/52/16/60/531521660.db2.gz IJCSRHORLWNRIJ-NWDGAFQWSA-N 1 0 396.285 1.854 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415737712 531522308 /nfs/dbraw/zinc/52/23/08/531522308.db2.gz GLOOJRBMHTZOHH-GWCFXTLKSA-N 1 0 392.257 1.521 20 0 GDADRO Cc1c(Cl)cc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000415734135 531522508 /nfs/dbraw/zinc/52/25/08/531522508.db2.gz ZZIPRDUNKRKWQN-ZDUSSCGKSA-N 1 0 385.295 1.746 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000295107910 531523474 /nfs/dbraw/zinc/52/34/74/531523474.db2.gz UPGYNFLMXNFFJQ-NSHDSACASA-N 1 0 375.292 1.514 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415765139 531526863 /nfs/dbraw/zinc/52/68/63/531526863.db2.gz QPFIWFOKKIJORO-CYBMUJFWSA-N 1 0 395.301 1.939 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CCCO1 ZINC000581997363 531527190 /nfs/dbraw/zinc/52/71/90/531527190.db2.gz ZRJQMFXGAQHFLK-ZDUSSCGKSA-N 1 0 386.279 1.454 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)CCC[NH3+])cc1I ZINC000415762829 531527314 /nfs/dbraw/zinc/52/73/14/531527314.db2.gz PVLAFRLTYYUIIE-JTQLQIEISA-N 1 0 389.237 1.782 20 0 GDADRO Cn1ncc(I)c1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000550774693 531527792 /nfs/dbraw/zinc/52/77/92/531527792.db2.gz ATTBTYKJOVWIJR-JTQLQIEISA-N 1 0 388.253 1.771 20 0 GDADRO Cn1ncc(I)c1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000550774694 531527885 /nfs/dbraw/zinc/52/78/85/531527885.db2.gz ATTBTYKJOVWIJR-SNVBAGLBSA-N 1 0 388.253 1.771 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000582063343 531532643 /nfs/dbraw/zinc/53/26/43/531532643.db2.gz YCHVHUXTYWLPEA-MNOVXSKESA-N 1 0 384.274 1.412 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000415784101 531529383 /nfs/dbraw/zinc/52/93/83/531529383.db2.gz GZSGSKYVVTWNMH-GFCCVEGCSA-N 1 0 399.337 1.573 20 0 GDADRO CO[C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)[C@@H](C[NH3+])C1 ZINC000415786034 531529625 /nfs/dbraw/zinc/52/96/25/531529625.db2.gz HXYUFRIRMBYHFG-MNOVXSKESA-N 1 0 386.294 1.880 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415788091 531529706 /nfs/dbraw/zinc/52/97/06/531529706.db2.gz OCDOLGKLKPMXLK-LBPRGKRZSA-N 1 0 394.273 1.486 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415785338 531529922 /nfs/dbraw/zinc/52/99/22/531529922.db2.gz KJOSLSHYAYSJRI-QMMMGPOBSA-N 1 0 379.173 1.222 20 0 GDADRO C[N@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)[C@@H]1CCSC1 ZINC000490435218 531530311 /nfs/dbraw/zinc/53/03/11/531530311.db2.gz YLSQQQBMBBSTOY-MRXNPFEDSA-N 1 0 381.929 1.948 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])ccc1Br ZINC000415791566 531531096 /nfs/dbraw/zinc/53/10/96/531531096.db2.gz SMHLSDJLSBBRAA-DTWKUNHWSA-N 1 0 386.246 1.335 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000295162922 531531483 /nfs/dbraw/zinc/53/14/83/531531483.db2.gz KRBKOMLDDCOPEA-UHFFFAOYSA-N 1 0 379.507 1.921 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CCO1 ZINC000658998203 531536895 /nfs/dbraw/zinc/53/68/95/531536895.db2.gz NRPKXIWLJQJTFP-ZDUSSCGKSA-N 1 0 398.301 1.957 20 0 GDADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415822903 531537544 /nfs/dbraw/zinc/53/75/44/531537544.db2.gz RCZUXVJGRSFMAS-UWVGGRQHSA-N 1 0 376.404 1.949 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000659683364 531553309 /nfs/dbraw/zinc/55/33/09/531553309.db2.gz WYAYEUULTFBAND-KGLIPLIRSA-N 1 0 398.301 1.879 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415826205 531538247 /nfs/dbraw/zinc/53/82/47/531538247.db2.gz AURHLNYXQBAFOE-YPMHNXCESA-N 1 0 397.317 1.693 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)c2cc(Br)ccc21 ZINC000659076791 531538741 /nfs/dbraw/zinc/53/87/41/531538741.db2.gz DDRVUBWBTRIEIS-LLVKDONJSA-N 1 0 380.286 1.881 20 0 GDADRO CCOC(=O)CC1(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000451050278 531538650 /nfs/dbraw/zinc/53/86/50/531538650.db2.gz PYGQEOVAECVZJD-UHFFFAOYSA-N 1 0 390.571 1.753 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000415832159 531539108 /nfs/dbraw/zinc/53/91/08/531539108.db2.gz KVIHYTKTVFQINA-JTQLQIEISA-N 1 0 377.775 1.375 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(Cl)cc1Br ZINC000659087060 531539462 /nfs/dbraw/zinc/53/94/62/531539462.db2.gz GMDDWIZIWLGMTG-GMSGAONNSA-N 1 0 390.665 1.855 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H](C)CC[NH3+])c(Cl)cc1Br ZINC000659083533 531539651 /nfs/dbraw/zinc/53/96/51/531539651.db2.gz ZRLSVIHKISNWBI-SSDOTTSWSA-N 1 0 378.654 1.903 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415829764 531539522 /nfs/dbraw/zinc/53/95/22/531539522.db2.gz FITYREIDTOSWFP-IONNQARKSA-N 1 0 376.201 1.909 20 0 GDADRO O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000557976057 531539682 /nfs/dbraw/zinc/53/96/82/531539682.db2.gz GKCYNJCTBSITRJ-INIZCTEOSA-N 1 0 382.551 1.790 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659085396 531540068 /nfs/dbraw/zinc/54/00/68/531540068.db2.gz WZRHSCLPTUQKJI-CQSZACIVSA-N 1 0 376.201 1.863 20 0 GDADRO O=C(NCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1cccc(Br)c1 ZINC000280797460 531541829 /nfs/dbraw/zinc/54/18/29/531541829.db2.gz KGLLRSJTYFXZGT-CXAGYDPISA-N 1 0 380.286 1.685 20 0 GDADRO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000451125473 531553346 /nfs/dbraw/zinc/55/33/46/531553346.db2.gz MOALYSFFGVLCNU-INIZCTEOSA-N 1 0 392.587 1.385 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000415846633 531541838 /nfs/dbraw/zinc/54/18/38/531541838.db2.gz CFBRZCCFBSCCKT-SECBINFHSA-N 1 0 389.681 1.061 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCC[NH2+]CC2)c1F ZINC000364182631 531542035 /nfs/dbraw/zinc/54/20/35/531542035.db2.gz NFZRYJFIALPITO-SNVBAGLBSA-N 1 0 393.278 1.864 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000364172294 531542630 /nfs/dbraw/zinc/54/26/30/531542630.db2.gz VBXXGNUEGOOHJF-VXGBXAGGSA-N 1 0 391.946 1.623 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC[C@H]1F ZINC000659109577 531542819 /nfs/dbraw/zinc/54/28/19/531542819.db2.gz HUSQYJMLXZBYAV-NXEZZACHSA-N 1 0 379.766 1.820 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)c(Cl)cc1Cl ZINC000364211312 531544725 /nfs/dbraw/zinc/54/47/25/531544725.db2.gz ORENOGSWLVBKGE-MRVPVSSYSA-N 1 0 383.253 1.128 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415862920 531544870 /nfs/dbraw/zinc/54/48/70/531544870.db2.gz KZWJSCQNSIRNBA-VIFPVBQESA-N 1 0 381.738 1.282 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415865936 531546126 /nfs/dbraw/zinc/54/61/26/531546126.db2.gz JHIVWZCKELXQIJ-LLVKDONJSA-N 1 0 384.274 1.963 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000415867273 531546226 /nfs/dbraw/zinc/54/62/26/531546226.db2.gz AMXVSNRICFETQA-QJPTWQEYSA-N 1 0 396.285 1.901 20 0 GDADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415865515 531546232 /nfs/dbraw/zinc/54/62/32/531546232.db2.gz BEUMSDGVZOBMGH-UHFFFAOYSA-N 1 0 377.750 1.498 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415864471 531546413 /nfs/dbraw/zinc/54/64/13/531546413.db2.gz SWGMWJLBOGUBMS-JTQLQIEISA-N 1 0 388.237 1.411 20 0 GDADRO O=S(=O)(N[C@H]1CCCN(CCCO)C1)c1cc(Br)ccc1F ZINC000295233974 531546611 /nfs/dbraw/zinc/54/66/11/531546611.db2.gz ITDIDDKDLAIRIL-LBPRGKRZSA-N 1 0 395.294 1.713 20 0 GDADRO CCC[N@H+](C)[C@H](CNC(=O)NC[C@@H](C)S(N)(=O)=O)c1ccc(Cl)cc1 ZINC000558107663 531547080 /nfs/dbraw/zinc/54/70/80/531547080.db2.gz PBBURQRGVRUADI-IUODEOHRSA-N 1 0 390.937 1.699 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000659491501 531547541 /nfs/dbraw/zinc/54/75/41/531547541.db2.gz WADIMZHULYHGBO-CYBMUJFWSA-N 1 0 394.900 1.430 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000364225015 531547675 /nfs/dbraw/zinc/54/76/75/531547675.db2.gz FEBARXCDDTWFJX-SOUVJXGZSA-N 1 0 378.535 1.814 20 0 GDADRO C[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cn1 ZINC000659489820 531548244 /nfs/dbraw/zinc/54/82/44/531548244.db2.gz LLFZWNKRPJLOGA-QMMMGPOBSA-N 1 0 381.234 1.359 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415872007 531548498 /nfs/dbraw/zinc/54/84/98/531548498.db2.gz VYPJNSWRCUOVLD-VIFPVBQESA-N 1 0 377.775 1.027 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000659457839 531548681 /nfs/dbraw/zinc/54/86/81/531548681.db2.gz NYJVZFRTSZFTIO-UHFFFAOYSA-N 1 0 391.273 1.867 20 0 GDADRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000558149080 531550956 /nfs/dbraw/zinc/55/09/56/531550956.db2.gz VZVZRWPHGJCAPI-GFCCVEGCSA-N 1 0 391.921 1.622 20 0 GDADRO Cn1cc(Br)cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1=O ZINC000364293666 531550905 /nfs/dbraw/zinc/55/09/05/531550905.db2.gz BSNNFRQKXAVTCO-NEPJUHHUSA-N 1 0 385.262 1.133 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659675745 531551118 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CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000415811570 531535364 /nfs/dbraw/zinc/53/53/64/531535364.db2.gz RUCHSNAVPTVOCR-SFYZADRCSA-N 1 0 376.226 1.777 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000557920625 531536138 /nfs/dbraw/zinc/53/61/38/531536138.db2.gz YJUISIYEOKSZDL-CQSZACIVSA-N 1 0 385.555 1.628 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000280763688 531536131 /nfs/dbraw/zinc/53/61/31/531536131.db2.gz QYROWLKCSPJLRY-NSHDSACASA-N 1 0 375.288 1.926 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415813442 531536271 /nfs/dbraw/zinc/53/62/71/531536271.db2.gz UMTCDFCFUBYZMT-NKWVEPMBSA-N 1 0 390.209 1.165 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cc1Br ZINC000415809719 531536564 /nfs/dbraw/zinc/53/65/64/531536564.db2.gz NCAOSNZYODMGLE-UHFFFAOYSA-N 1 0 386.246 1.353 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](C[NH3+])C3)s2)CC1 ZINC000582844591 531555571 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20 0 GDADRO CC(C)[NH2+]CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000662433475 531677236 /nfs/dbraw/zinc/67/72/36/531677236.db2.gz HQJFBMOMMFRNOZ-UHFFFAOYSA-N 1 0 379.935 1.623 20 0 GDADRO CN1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000662430168 531677614 /nfs/dbraw/zinc/67/76/14/531677614.db2.gz VKSUODKVEUYAGX-INIZCTEOSA-N 1 0 381.318 1.764 20 0 GDADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])c(F)cc1F ZINC000662564050 531689184 /nfs/dbraw/zinc/68/91/84/531689184.db2.gz VMIVQEPBHPFNTB-OTYXRUKQSA-N 1 0 377.413 1.419 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000618299857 531680317 /nfs/dbraw/zinc/68/03/17/531680317.db2.gz CTRKADBAFHGQQC-MRXNPFEDSA-N 1 0 396.329 1.957 20 0 GDADRO CCN(C(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000502493877 531681653 /nfs/dbraw/zinc/68/16/53/531681653.db2.gz JJRZCMFJVLUFIR-AAVRWANBSA-N 1 0 382.473 1.551 20 0 GDADRO O=C(c1cc(Br)ccc1-n1cnnn1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662518738 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SMIZGUJENNTNER-AFAVFJNCSA-N 1 0 387.263 1.718 20 0 GDADRO C[C@]12C[NH+](Cc3cn4cc(Br)ccc4n3)C[C@]1(C)C(=O)NC2=O ZINC000639947356 531711711 /nfs/dbraw/zinc/71/17/11/531711711.db2.gz USAFTTLRVRCKGF-HZPDHXFCSA-N 1 0 377.242 1.581 20 0 GDADRO CN(CC[NH+](C)C)C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000504240168 531702193 /nfs/dbraw/zinc/70/21/93/531702193.db2.gz ZGUNCGPPFKXJBL-UHFFFAOYSA-N 1 0 381.420 1.812 20 0 GDADRO COCCOC[C@H](O)CN(C)CC(=O)Nc1ccc(Br)cc1C ZINC000296592642 531706668 /nfs/dbraw/zinc/70/66/68/531706668.db2.gz SDDUYZXIYWBBNM-CQSZACIVSA-N 1 0 389.290 1.652 20 0 GDADRO CCSc1ccc(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c(Br)c1 ZINC000639848610 531706800 /nfs/dbraw/zinc/70/68/00/531706800.db2.gz ZROAQMIDJBEKQA-VXGBXAGGSA-N 1 0 386.315 1.580 20 0 GDADRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000639852975 531706847 /nfs/dbraw/zinc/70/68/47/531706847.db2.gz WXAPNRPJLMEQSY-ABAIWWIYSA-N 1 0 375.238 1.734 20 0 GDADRO Cc1nn(C)c(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1Br ZINC000640164455 531724570 /nfs/dbraw/zinc/72/45/70/531724570.db2.gz QMHKPFWWOXOOME-LBPRGKRZSA-N 1 0 388.310 1.849 20 0 GDADRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000591257632 531712589 /nfs/dbraw/zinc/71/25/89/531712589.db2.gz UASZJTLVEGKUAP-UHFFFAOYSA-N 1 0 379.276 1.385 20 0 GDADRO C[C@]12C[N@H+](CC(=O)Nc3ccc(Br)cc3)C[C@@]1(C)C(=O)NC2=O ZINC000639952263 531712655 /nfs/dbraw/zinc/71/26/55/531712655.db2.gz IOGOQODZKJWGSY-IYBDPMFKSA-N 1 0 380.242 1.372 20 0 GDADRO Cc1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)nn1-c1ccc(Br)cc1 ZINC000663488112 531714200 /nfs/dbraw/zinc/71/42/00/531714200.db2.gz RTKXXTHIDLPIHO-UHFFFAOYSA-N 1 0 391.269 1.758 20 0 GDADRO C[C@@]1(NC(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)CC[NH2+]C1 ZINC000663615072 531715782 /nfs/dbraw/zinc/71/57/82/531715782.db2.gz DHUQBCVWIVIQBB-MRXNPFEDSA-N 1 0 392.257 1.442 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)c2cc(Br)ccc21 ZINC000663609301 531716178 /nfs/dbraw/zinc/71/61/78/531716178.db2.gz RDAMPFOEOKSYSH-KRWDZBQOSA-N 1 0 380.286 1.942 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000366291244 531732194 /nfs/dbraw/zinc/73/21/94/531732194.db2.gz WHCBEYPITUOPRK-YGRLFVJLSA-N 1 0 375.288 1.830 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1Br ZINC000451933861 531718974 /nfs/dbraw/zinc/71/89/74/531718974.db2.gz QLBJDPDMSSDLLP-JTQLQIEISA-N 1 0 392.319 1.944 20 0 GDADRO Cn1cc(Br)c(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000640309461 531735775 /nfs/dbraw/zinc/73/57/75/531735775.db2.gz MEBXMNPABCUNCF-UHFFFAOYSA-N 1 0 393.289 2.364 20 0 GDADRO CC[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C[C@H](C)[NH2+]1 ZINC000620902451 531736808 /nfs/dbraw/zinc/73/68/08/531736808.db2.gz YSGBOELUTPYOQL-GXSJLCMTSA-N 1 0 390.303 1.309 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000416908277 531744449 /nfs/dbraw/zinc/74/44/49/531744449.db2.gz DCOIYUFUSKJZRG-CHWSQXEVSA-N 1 0 388.559 1.848 20 0 GDADRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000416945143 531748116 /nfs/dbraw/zinc/74/81/16/531748116.db2.gz HCOPJGHYYFJGDK-JSGCOSHPSA-N 1 0 388.921 1.387 20 0 GDADRO COC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc(S(C)(=O)=O)c1 ZINC000591674016 531733158 /nfs/dbraw/zinc/73/31/58/531733158.db2.gz AOFZWWMRYZJYJR-GFCCVEGCSA-N 1 0 376.381 1.060 20 0 GDADRO C[N@H+](CCNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C1CCCC1 ZINC000269782553 531756292 /nfs/dbraw/zinc/75/62/92/531756292.db2.gz GXXYXYJTGZVARA-AWEZNQCLSA-N 1 0 389.543 1.056 20 0 GDADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCC[NH+]1CCC(O)CC1 ZINC000297088987 531757886 /nfs/dbraw/zinc/75/78/86/531757886.db2.gz WKIWIESZHBOKLN-HNNXBMFYSA-N 1 0 383.901 1.716 20 0 GDADRO C[C@@H]1CN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000417216628 531760102 /nfs/dbraw/zinc/76/01/02/531760102.db2.gz YMJCUNITJJXVAA-BXUZGUMPSA-N 1 0 383.290 1.558 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCNc1ncc(Cl)cc1Cl)C2 ZINC000621844356 531760517 /nfs/dbraw/zinc/76/05/17/531760517.db2.gz QBLJVVBDIUPWHL-HWPZZCPQSA-N 1 0 386.283 1.256 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1)C1CC1 ZINC000621846498 531760982 /nfs/dbraw/zinc/76/09/82/531760982.db2.gz CXCYPNFZZSYBRK-GFCCVEGCSA-N 1 0 390.228 1.511 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000417264563 531763144 /nfs/dbraw/zinc/76/31/44/531763144.db2.gz SJBMBVVMHHVSAP-XJKSGUPXSA-N 1 0 397.317 1.645 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417292936 531764330 /nfs/dbraw/zinc/76/43/30/531764330.db2.gz DPQYIZXRBDMEBJ-HNNXBMFYSA-N 1 0 399.308 1.820 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1Cl ZINC000269772170 531751257 /nfs/dbraw/zinc/75/12/57/531751257.db2.gz QAAHBKBASUMWLX-CQSZACIVSA-N 1 0 381.857 1.028 20 0 GDADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000417037534 531751618 /nfs/dbraw/zinc/75/16/18/531751618.db2.gz UAVCBUSRTCWNPE-CYBMUJFWSA-N 1 0 378.445 1.155 20 0 GDADRO COc1cc(I)c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000592340064 531780389 /nfs/dbraw/zinc/78/03/89/531780389.db2.gz ZUXUMNGNCCHMCT-SFYZADRCSA-N 1 0 378.210 1.774 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000667402772 531780598 /nfs/dbraw/zinc/78/05/98/531780598.db2.gz MSFJDUQHANUNRY-PELKAZGASA-N 1 0 379.766 1.872 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000366802386 531781904 /nfs/dbraw/zinc/78/19/04/531781904.db2.gz XQAABSYRJMKIDQ-YPMHNXCESA-N 1 0 396.285 1.679 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cn2cc([C@H]([NH3+])c3ccccc3)nn2)s1 ZINC000641144334 531782072 /nfs/dbraw/zinc/78/20/72/531782072.db2.gz LFBQYLNMMYGOGV-MRXNPFEDSA-N 1 0 377.495 1.686 20 0 GDADRO CCc1nc([C@H](C)NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000417599386 531782410 /nfs/dbraw/zinc/78/24/10/531782410.db2.gz HOQHFKHEPLOSCR-JQWIXIFHSA-N 1 0 379.452 1.902 20 0 GDADRO CCC[NH+](CCC)CCCC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000269848468 531782884 /nfs/dbraw/zinc/78/28/84/531782884.db2.gz ROCSLUNHNSXFEJ-OAHLLOKOSA-N 1 0 390.571 1.901 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000562841440 531782932 /nfs/dbraw/zinc/78/29/32/531782932.db2.gz MBNWNDXVXMMPIV-RHSMWYFYSA-N 1 0 386.539 1.633 20 0 GDADRO CCN1CCN(C(=O)CNC(=O)c2ccc(Br)c(F)c2C)CC1 ZINC000622065119 531768160 /nfs/dbraw/zinc/76/81/60/531768160.db2.gz CBFSWHHOYJGPED-UHFFFAOYSA-N 1 0 386.265 1.791 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417418140 531768690 /nfs/dbraw/zinc/76/86/90/531768690.db2.gz DIJHXIBCYHUVGQ-TZMCWYRMSA-N 1 0 397.317 1.948 20 0 GDADRO C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)c2c(Cl)cnn2C)C[C@H](C)O1 ZINC000366835124 531783441 /nfs/dbraw/zinc/78/34/41/531783441.db2.gz MQQFKSRWRDRVGH-XQQFMLRXSA-N 1 0 376.910 1.336 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417439766 531771087 /nfs/dbraw/zinc/77/10/87/531771087.db2.gz WQFUYSRLEWZOPG-IUODEOHRSA-N 1 0 397.317 1.866 20 0 GDADRO C[C@@H]1CN(C(=O)NCCc2ccc(I)s2)CC[NH2+]1 ZINC000417436712 531771095 /nfs/dbraw/zinc/77/10/95/531771095.db2.gz FQBWHMUQPPGYPY-SECBINFHSA-N 1 0 379.267 1.899 20 0 GDADRO CC[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)CCSC ZINC000592197403 531771251 /nfs/dbraw/zinc/77/12/51/531771251.db2.gz BQRAOSNDUXCQGM-UHFFFAOYSA-N 1 0 388.555 1.771 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417438532 531771854 /nfs/dbraw/zinc/77/18/54/531771854.db2.gz UBPCBRMFNRLLHR-WFASDCNBSA-N 1 0 397.317 1.866 20 0 GDADRO [NH3+][C@@H](CNC(=O)NCCc1ccc(I)s1)C1CC1 ZINC000417440842 531772477 /nfs/dbraw/zinc/77/24/77/531772477.db2.gz PDTWDLNOARVRSD-JTQLQIEISA-N 1 0 379.267 1.932 20 0 GDADRO C[C@H]1CN(C(=O)NCCC(=O)N(C)Cc2ccccc2Br)CC[NH2+]1 ZINC000417585337 531783138 /nfs/dbraw/zinc/78/31/38/531783138.db2.gz ORUBVWFEXFAQLL-ZDUSSCGKSA-N 1 0 397.317 1.801 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417445402 531773090 /nfs/dbraw/zinc/77/30/90/531773090.db2.gz ZPWBPPWHMJZTNT-AWEZNQCLSA-N 1 0 383.290 1.572 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000667263087 531773633 /nfs/dbraw/zinc/77/36/33/531773633.db2.gz VADYQUZXBUMSDL-QMMMGPOBSA-N 1 0 376.201 1.924 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NCC[NH2+]C2CC2)cc1Br ZINC000667293316 531775169 /nfs/dbraw/zinc/77/51/69/531775169.db2.gz PGIDFTYPHALRGZ-UHFFFAOYSA-N 1 0 383.290 1.317 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc2ccc(Br)cn2n1 ZINC000562735427 531776712 /nfs/dbraw/zinc/77/67/12/531776712.db2.gz XXAIWIVSEXYYLG-GFCCVEGCSA-N 1 0 382.262 1.332 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000417475160 531776948 /nfs/dbraw/zinc/77/69/48/531776948.db2.gz AZCUEXMQWRREQV-CYBMUJFWSA-N 1 0 399.289 1.455 20 0 GDADRO CC[NH2+]CCNC(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000417516802 531778554 /nfs/dbraw/zinc/77/85/54/531778554.db2.gz OQCYLTZXHBKGAE-UHFFFAOYSA-N 1 0 376.548 1.230 20 0 GDADRO COc1ncc(Br)cc1Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641127422 531779449 /nfs/dbraw/zinc/77/94/49/531779449.db2.gz AMFZYCZVTPPYKY-UHFFFAOYSA-N 1 0 381.278 1.240 20 0 GDADRO Cn1ncc(Br)c1C[NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000512852567 531801812 /nfs/dbraw/zinc/80/18/12/531801812.db2.gz WIVCTPPBEFKYGU-ZYHUDNBSSA-N 1 0 379.324 1.380 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c1OC ZINC000592387407 531784355 /nfs/dbraw/zinc/78/43/55/531784355.db2.gz YUUGJIJDSWDJLI-LLVKDONJSA-N 1 0 376.862 1.556 20 0 GDADRO [NH3+][C@H](c1cn(C[C@@H](O)COc2ccc(Br)cc2)nn1)[C@H]1CCCO1 ZINC000641193488 531784856 /nfs/dbraw/zinc/78/48/56/531784856.db2.gz JLPDYDQAMPNVOO-DAXOMENPSA-N 1 0 397.273 1.659 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000417741216 531785532 /nfs/dbraw/zinc/78/55/32/531785532.db2.gz YXDIFSOECBXAJT-GFCCVEGCSA-N 1 0 379.262 1.738 20 0 GDADRO CCN(CC)S(=O)(=O)CC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000510366985 531786873 /nfs/dbraw/zinc/78/68/73/531786873.db2.gz KXJTVVUTPHSLDR-OAHLLOKOSA-N 1 0 375.560 1.919 20 0 GDADRO Cc1cc(Br)cc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1N ZINC000417811717 531786957 /nfs/dbraw/zinc/78/69/57/531786957.db2.gz PDGDNWHNFKEHEV-LLVKDONJSA-N 1 0 379.262 1.936 20 0 GDADRO O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)N[C@@H]1CCC[NH2+]C1 ZINC000417824272 531787516 /nfs/dbraw/zinc/78/75/16/531787516.db2.gz BFEXEILDFQYHKN-SECBINFHSA-N 1 0 376.770 1.953 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000668118349 531788821 /nfs/dbraw/zinc/78/88/21/531788821.db2.gz ASZLMTFWHUMWPH-AWEZNQCLSA-N 1 0 385.917 1.771 20 0 GDADRO CCn1nncc1C[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000417889858 531788856 /nfs/dbraw/zinc/78/88/56/531788856.db2.gz ATFPQTVNUQHWPA-UHFFFAOYSA-N 1 0 396.289 1.979 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417902554 531789643 /nfs/dbraw/zinc/78/96/43/531789643.db2.gz PVZVCAIHFSNNGK-LBPRGKRZSA-N 1 0 387.297 1.724 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)s1 ZINC000417905910 531789698 /nfs/dbraw/zinc/78/96/98/531789698.db2.gz AVCZHNXEPJYZHL-CQSZACIVSA-N 1 0 382.511 1.334 20 0 GDADRO C[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000366908159 531791521 /nfs/dbraw/zinc/79/15/21/531791521.db2.gz CKAPKZBKWXCAGX-CZUORRHYSA-N 1 0 385.917 1.659 20 0 GDADRO COC(=O)C[C@@H](NC(=O)COC1(C)C[NH2+]C1)c1ccc(Br)cc1 ZINC000592492923 531793439 /nfs/dbraw/zinc/79/34/39/531793439.db2.gz HVHAVUSLZSOWNQ-CYBMUJFWSA-N 1 0 385.258 1.548 20 0 GDADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417945091 531793534 /nfs/dbraw/zinc/79/35/34/531793534.db2.gz QNSDBGYCNSGEEU-FZMZJTMJSA-N 1 0 387.297 1.722 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511574456 531793618 /nfs/dbraw/zinc/79/36/18/531793618.db2.gz KIDLXWCIIDKWTM-AWEZNQCLSA-N 1 0 379.320 1.528 20 0 GDADRO COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000269882084 531793947 /nfs/dbraw/zinc/79/39/47/531793947.db2.gz WMPBSIZUZZNBMQ-HNNXBMFYSA-N 1 0 376.475 1.328 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c(Br)o1 ZINC000366947278 531795009 /nfs/dbraw/zinc/79/50/09/531795009.db2.gz WOWMJFKGBRSUAK-MRVPVSSYSA-N 1 0 381.248 1.249 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000418053204 531800344 /nfs/dbraw/zinc/80/03/44/531800344.db2.gz YMOQGYINQVSXKS-INIZCTEOSA-N 1 0 381.318 1.947 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623661928 531818519 /nfs/dbraw/zinc/81/85/19/531818519.db2.gz HUWDVTQCNKRPBR-KWBADKCTSA-N 1 0 384.274 1.316 20 0 GDADRO COC(=O)CNC(=O)[C@@H]1CCCN1Cc1cn2ccc(Br)cc2n1 ZINC000418124537 531802925 /nfs/dbraw/zinc/80/29/25/531802925.db2.gz MMQHGBHQEDAFRT-ZDUSSCGKSA-N 1 0 395.257 1.350 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC000668677189 531802922 /nfs/dbraw/zinc/80/29/22/531802922.db2.gz ZBYQHBLLYBWUII-UHFFFAOYSA-N 1 0 386.338 1.768 20 0 GDADRO C[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)Oc1ccc(Br)cc1 ZINC000269913403 531803307 /nfs/dbraw/zinc/80/33/07/531803307.db2.gz PQBAMMWWWQNIPF-LRDDRELGSA-N 1 0 388.306 1.828 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000563064276 531803650 /nfs/dbraw/zinc/80/36/50/531803650.db2.gz ZRCSCYIKQWICPF-LLVKDONJSA-N 1 0 380.413 1.643 20 0 GDADRO COc1cc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc(Cl)c1OCC(N)=O ZINC000418129581 531803901 /nfs/dbraw/zinc/80/39/01/531803901.db2.gz DMVRYCARUWNMFV-LLVKDONJSA-N 1 0 377.819 1.642 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)C[C@H](C)n2cc(Br)cn2)CC[N@H+](C)C1 ZINC000592806109 531803992 /nfs/dbraw/zinc/80/39/92/531803992.db2.gz LRNSHDQSOUYKKC-RYUDHWBXSA-N 1 0 387.278 1.160 20 0 GDADRO COc1cc(Br)c(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)cc1OC ZINC000563082091 531804811 /nfs/dbraw/zinc/80/48/11/531804811.db2.gz VPUFISHKTMLBPS-INIZCTEOSA-N 1 0 398.257 1.640 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000418148529 531805363 /nfs/dbraw/zinc/80/53/63/531805363.db2.gz OALFHWISXYFFJW-QWHCGFSZSA-N 1 0 388.921 1.435 20 0 GDADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)s1 ZINC000516484486 531818861 /nfs/dbraw/zinc/81/88/61/531818861.db2.gz XLOYZFCLUPQXDD-GXTWGEPZSA-N 1 0 390.575 1.562 20 0 GDADRO CC[NH+]1CCC(NC(=O)CN2CCc3nccc(Br)c3C2)CC1 ZINC000623285858 531806083 /nfs/dbraw/zinc/80/60/83/531806083.db2.gz XSZUSQXNUCZNPL-UHFFFAOYSA-N 1 0 381.318 1.803 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)NCCOc2ccc(I)cc2)C1 ZINC000418155340 531806536 /nfs/dbraw/zinc/80/65/36/531806536.db2.gz LIGWYQVEBAZIAI-NSHDSACASA-N 1 0 375.210 1.413 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418155924 531807293 /nfs/dbraw/zinc/80/72/93/531807293.db2.gz ADKUMFHBCNKDQD-JQWIXIFHSA-N 1 0 392.884 1.184 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418155919 531807557 /nfs/dbraw/zinc/80/75/57/531807557.db2.gz ADKUMFHBCNKDQD-CMPLNLGQSA-N 1 0 392.884 1.184 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418158312 531808583 /nfs/dbraw/zinc/80/85/83/531808583.db2.gz BASTVWRRKBBULQ-ZDUSSCGKSA-N 1 0 388.559 1.385 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C[NH2+]C)C2)c1OC ZINC000563118402 531808892 /nfs/dbraw/zinc/80/88/92/531808892.db2.gz NJXURQHKSDNTPC-NSHDSACASA-N 1 0 389.905 1.328 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418164795 531809993 /nfs/dbraw/zinc/80/99/93/531809993.db2.gz INGFBTAZPGNTBH-UONOGXRCSA-N 1 0 388.559 1.575 20 0 GDADRO CC(C)(C)OC(=O)NCC1(C[NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000297659136 531810186 /nfs/dbraw/zinc/81/01/86/531810186.db2.gz NTNIAVYYEMSSHR-UHFFFAOYSA-N 1 0 389.543 1.921 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000669104342 531810458 /nfs/dbraw/zinc/81/04/58/531810458.db2.gz JKQQTNCYGOAONI-UHFFFAOYSA-N 1 0 376.284 1.694 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418167188 531811229 /nfs/dbraw/zinc/81/12/29/531811229.db2.gz JVSAEVGLYMZLCT-LLVKDONJSA-N 1 0 394.900 1.574 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418166810 531811322 /nfs/dbraw/zinc/81/13/22/531811322.db2.gz LVIKTTBQQDUIIZ-SECBINFHSA-N 1 0 383.301 1.260 20 0 GDADRO O=C(C(=O)N1CCSC[C@H]1c1nccs1)N1CCN(C2CCC2)CC1 ZINC000297693215 531812224 /nfs/dbraw/zinc/81/22/24/531812224.db2.gz HLPVXJMYYIUZBL-AWEZNQCLSA-N 1 0 380.539 1.456 20 0 GDADRO NS(=O)(=O)C1CCN(CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000367139875 531812802 /nfs/dbraw/zinc/81/28/02/531812802.db2.gz MJMFYRYXRWPGKT-UHFFFAOYSA-N 1 0 379.454 1.693 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000515847763 531812804 /nfs/dbraw/zinc/81/28/04/531812804.db2.gz ITLLQCKHSMDUKS-QWRGUYRKSA-N 1 0 379.404 1.227 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000563139001 531812836 /nfs/dbraw/zinc/81/28/36/531812836.db2.gz ULWISRDDRKDSQR-CQSZACIVSA-N 1 0 381.416 1.658 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000453365531 531812924 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Cn1cc(I)c(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)n1 ZINC000418249113 531817883 /nfs/dbraw/zinc/81/78/83/531817883.db2.gz FZRPABNTLPGZKY-ZDUSSCGKSA-N 1 0 391.257 1.214 20 0 GDADRO O=C(NC[C@@H](CO)Cc1cc(Br)ccc1F)NC[C@@H]1CCC[NH2+]1 ZINC000418365367 531823721 /nfs/dbraw/zinc/82/37/21/531823721.db2.gz JSWKXYHFNVPLGI-FZMZJTMJSA-N 1 0 388.281 1.790 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)s1 ZINC000623783431 531824891 /nfs/dbraw/zinc/82/48/91/531824891.db2.gz LWUPHWFAWOBFIS-OAHLLOKOSA-N 1 0 381.523 1.537 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418402895 531825308 /nfs/dbraw/zinc/82/53/08/531825308.db2.gz ZRERGXMUXXCYKH-WCQYABFASA-N 1 0 390.297 1.894 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=O)NC[C@H](C)C[NH3+])cc1Br ZINC000418481387 531826238 /nfs/dbraw/zinc/82/62/38/531826238.db2.gz DHFHHTHCKSXGNP-YPMHNXCESA-N 1 0 388.306 1.503 20 0 GDADRO CCC[NH2+]CCNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000418465887 531826458 /nfs/dbraw/zinc/82/64/58/531826458.db2.gz DAYPDJHIXIUVFJ-CQSZACIVSA-N 1 0 383.290 1.631 20 0 GDADRO Cc1ccc(C[C@@H](CO)CNC(=O)NC[C@@H]([NH3+])C2CC2)cc1Br ZINC000418490644 531826973 /nfs/dbraw/zinc/82/69/73/531826973.db2.gz QOWRCBKDMMHYRC-CZUORRHYSA-N 1 0 384.318 1.945 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000670123740 531827459 /nfs/dbraw/zinc/82/74/59/531827459.db2.gz JYJTZSXHAQZHLH-AWEZNQCLSA-N 1 0 390.937 1.570 20 0 GDADRO COc1cc(C)c(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)cc1Cl ZINC000563304439 531827509 /nfs/dbraw/zinc/82/75/09/531827509.db2.gz IRPHLSYSSHSURQ-UHFFFAOYSA-N 1 0 377.938 1.819 20 0 GDADRO CN(C(=O)c1cc(S(C)(=O)=O)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367303360 531827494 /nfs/dbraw/zinc/82/74/94/531827494.db2.gz RXKYFSPTSIPLFB-CQSZACIVSA-N 1 0 385.555 1.392 20 0 GDADRO COCC[NH2+]CCNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418514078 531828235 /nfs/dbraw/zinc/82/82/35/531828235.db2.gz VWDLJILFLSNHNO-UHFFFAOYSA-N 1 0 380.308 1.251 20 0 GDADRO [NH3+]CCNC(=O)N1CCC(Oc2ccccc2I)CC1 ZINC000418297619 531819605 /nfs/dbraw/zinc/81/96/05/531819605.db2.gz KMFNRAJWYXROHZ-UHFFFAOYSA-N 1 0 389.237 1.803 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+]C3CC(NS(C)(=O)=O)C3)cnc12 ZINC000669831451 531821322 /nfs/dbraw/zinc/82/13/22/531821322.db2.gz VPQSBDGFPFSSFR-UHFFFAOYSA-N 1 0 387.303 1.575 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000624167219 531832922 /nfs/dbraw/zinc/83/29/22/531832922.db2.gz UBVHYLBHSJZQJE-CQSZACIVSA-N 1 0 389.880 1.598 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000418620683 531833065 /nfs/dbraw/zinc/83/30/65/531833065.db2.gz QVXOSLYVWIKJTJ-JTQLQIEISA-N 1 0 395.312 1.357 20 0 GDADRO Cc1ccsc1[C@@H](CO)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418619962 531833174 /nfs/dbraw/zinc/83/31/74/531833174.db2.gz QAFMKFNRZNRXNN-VXGBXAGGSA-N 1 0 380.436 1.225 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000418699533 531834006 /nfs/dbraw/zinc/83/40/06/531834006.db2.gz NWXBQIXXFKRZHX-NEPJUHHUSA-N 1 0 383.290 1.652 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)CCC[NH3+])CC2)c(C)s1 ZINC000418695448 531834553 /nfs/dbraw/zinc/83/45/53/531834553.db2.gz XYJSHKOBOLYOJH-LBPRGKRZSA-N 1 0 388.559 1.508 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=O)N[C@H](C)[C@H](C)[NH3+])cc1Br ZINC000418697178 531834732 /nfs/dbraw/zinc/83/47/32/531834732.db2.gz LNGZQYNABBNBIB-LOWVWBTDSA-N 1 0 388.306 1.644 20 0 GDADRO C[C@@H](NC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1)[C@H](C)[NH3+] ZINC000418730788 531836138 /nfs/dbraw/zinc/83/61/38/531836138.db2.gz SHZMVWFZOIPHFU-WDEREUQCSA-N 1 0 381.278 1.907 20 0 GDADRO C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC1)C1CC[NH+](C)CC1 ZINC000624269850 531836367 /nfs/dbraw/zinc/83/63/67/531836367.db2.gz QRKPMDRTMPZVLE-CYBMUJFWSA-N 1 0 385.555 1.993 20 0 GDADRO [NH3+]CC[C@H](NC(=O)NCC(=O)Nc1cccc(Br)c1)C(F)F ZINC000418746657 531837064 /nfs/dbraw/zinc/83/70/64/531837064.db2.gz XXQJEWOABPUASV-JTQLQIEISA-N 1 0 379.205 1.669 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418759836 531837894 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[NH3+]CCCCNC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418533794 531830471 /nfs/dbraw/zinc/83/04/71/531830471.db2.gz WEXKIPICEBJWIW-GFCCVEGCSA-N 1 0 376.270 1.777 20 0 GDADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670408593 531831202 /nfs/dbraw/zinc/83/12/02/531831202.db2.gz RYBCZVYOZJUMDT-KGLIPLIRSA-N 1 0 382.302 1.723 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)N[C@H](C)CC[NH3+] ZINC000418562694 531831293 /nfs/dbraw/zinc/83/12/93/531831293.db2.gz RNYOWWGVYXKMEQ-SNVBAGLBSA-N 1 0 391.335 1.896 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000418579248 531831514 /nfs/dbraw/zinc/83/15/14/531831514.db2.gz QYQFSEGPXMEZPZ-IOASZLSFSA-N 1 0 384.318 1.897 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418591858 531832311 /nfs/dbraw/zinc/83/23/11/531832311.db2.gz KTQUCIYQOPFYJJ-IVMMDQJWSA-N 1 0 384.318 1.897 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cn3cc(Br)ccc3=O)C2)CC1 ZINC000270258493 531849050 /nfs/dbraw/zinc/84/90/50/531849050.db2.gz RFSISXPBTLXLHD-CQSZACIVSA-N 1 0 382.302 1.801 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418836475 531849153 /nfs/dbraw/zinc/84/91/53/531849153.db2.gz RGLRCXTXLMMTQP-IDTSFGKNSA-N 1 0 380.286 1.617 20 0 GDADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418836513 531850471 /nfs/dbraw/zinc/85/04/71/531850471.db2.gz UUWVVDNWYDCUOT-UEEZHKSASA-N 1 0 380.286 1.665 20 0 GDADRO O=C(NCc1ccc(Cl)s1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641761255 531851769 /nfs/dbraw/zinc/85/17/69/531851769.db2.gz XCMMKVNGXRMZIZ-CQSZACIVSA-N 1 0 386.949 1.997 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000418844404 531852286 /nfs/dbraw/zinc/85/22/86/531852286.db2.gz MDSIADBBLIKGOP-GFCCVEGCSA-N 1 0 384.318 1.940 20 0 GDADRO CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000454251230 531852330 /nfs/dbraw/zinc/85/23/30/531852330.db2.gz XOKQWSJLKANICB-RUZDIDTESA-N 1 0 375.535 1.204 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000283333836 531852422 /nfs/dbraw/zinc/85/24/22/531852422.db2.gz CUDPASNOFOGRSB-UHFFFAOYSA-N 1 0 399.333 1.738 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)Cc2cccc(Br)c2)C1 ZINC000418846323 531852649 /nfs/dbraw/zinc/85/26/49/531852649.db2.gz RHUGBHJGXXKLJG-ZFWWWQNUSA-N 1 0 396.329 1.954 20 0 GDADRO CCCN(C(=O)C(=O)NCc1ccc(Br)cc1C)[C@@H]1CC[NH2+]C1 ZINC000418849849 531854398 /nfs/dbraw/zinc/85/43/98/531854398.db2.gz BKQHOOPPCDZOIG-OAHLLOKOSA-N 1 0 382.302 1.974 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3C[NH2+]CCCO3)nc12 ZINC000563583930 531854624 /nfs/dbraw/zinc/85/46/24/531854624.db2.gz FXVHRRWCUNRLSD-AWEZNQCLSA-N 1 0 396.289 1.583 20 0 GDADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418848682 531855051 /nfs/dbraw/zinc/85/50/51/531855051.db2.gz ZQLTUNSJQPJYST-ZDUSSCGKSA-N 1 0 393.285 1.457 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H](CCO)c1ccccc1Br ZINC000418800051 531841398 /nfs/dbraw/zinc/84/13/98/531841398.db2.gz WPGYSFHYHQMQHZ-WFASDCNBSA-N 1 0 386.290 1.550 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000624397091 531842983 /nfs/dbraw/zinc/84/29/83/531842983.db2.gz OHTBYIWSWMYENZ-UHFFFAOYSA-N 1 0 381.292 1.314 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000563437460 531843106 /nfs/dbraw/zinc/84/31/06/531843106.db2.gz KEQFSAUBHWHZOL-ZDUSSCGKSA-N 1 0 399.282 1.188 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(F)cc1Br ZINC000418808061 531843114 /nfs/dbraw/zinc/84/31/14/531843114.db2.gz DSZDSZOIBJWTKI-HZMBPMFUSA-N 1 0 386.265 1.838 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000298023899 531843120 /nfs/dbraw/zinc/84/31/20/531843120.db2.gz XVOFGGWVMKXDMI-GXTWGEPZSA-N 1 0 398.301 1.943 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)[C@@H](C)C[NH2+]1 ZINC000418800586 531843324 /nfs/dbraw/zinc/84/33/24/531843324.db2.gz BQSMDUZGKKULMF-UKKRHICBSA-N 1 0 386.315 1.692 20 0 GDADRO C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)C[NH2+]1 ZINC000624405205 531843516 /nfs/dbraw/zinc/84/35/16/531843516.db2.gz FUVLFGGNCBUNOT-JOYOIKCWSA-N 1 0 375.288 1.803 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Br)s3)C[C@H]12 ZINC000418813840 531844361 /nfs/dbraw/zinc/84/43/61/531844361.db2.gz UDRFGJWMDPHNKI-RNWYCLNJSA-N 1 0 398.326 1.678 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000641626040 531844539 /nfs/dbraw/zinc/84/45/39/531844539.db2.gz XZDYHRKQKFCWPV-YOEHRIQHSA-N 1 0 388.555 1.831 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000418811408 531844574 /nfs/dbraw/zinc/84/45/74/531844574.db2.gz PZDIWQXCYGVQRW-NURSFMCSSA-N 1 0 384.249 1.381 20 0 GDADRO CC[NH+](CC)CCN(C(=O)CC1(CSC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000593558443 531844645 /nfs/dbraw/zinc/84/46/45/531844645.db2.gz XWLVFCPSVBCWTG-OAHLLOKOSA-N 1 0 376.588 1.877 20 0 GDADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418810152 531844889 /nfs/dbraw/zinc/84/48/89/531844889.db2.gz NYKQEHGTBVOCST-NURSFMCSSA-N 1 0 384.249 1.286 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000418810318 531845141 /nfs/dbraw/zinc/84/51/41/531845141.db2.gz HGXPRYNOUVKGSV-PWSUYJOCSA-N 1 0 386.265 1.648 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(F)cc1Br ZINC000418821337 531846400 /nfs/dbraw/zinc/84/64/00/531846400.db2.gz QGWOIIUFZOOEJG-YGRLFVJLSA-N 1 0 386.265 1.933 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC[NH2+]1 ZINC000418824512 531848272 /nfs/dbraw/zinc/84/82/72/531848272.db2.gz JHPYXVTWGWGAKK-TZQJONAQSA-N 1 0 380.286 1.678 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1cc(F)c(Cl)cc1Cl ZINC000418828570 531848417 /nfs/dbraw/zinc/84/84/17/531848417.db2.gz CVNCWIHLYWPIGJ-VHSXEESVSA-N 1 0 392.258 1.804 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000643407933 531869295 /nfs/dbraw/zinc/86/92/95/531869295.db2.gz AXIMCNPHQKHFFF-OAHLLOKOSA-N 1 0 382.302 1.926 20 0 GDADRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)sc1Br ZINC000270423790 531867668 /nfs/dbraw/zinc/86/76/68/531867668.db2.gz MCPADFONBHJLRI-VIFPVBQESA-N 1 0 390.303 1.589 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])Sc1ccc(Br)cc1 ZINC000418936723 531867971 /nfs/dbraw/zinc/86/79/71/531867971.db2.gz MWPBNDRECDISCC-WDEREUQCSA-N 1 0 388.331 1.899 20 0 GDADRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)sc1Br ZINC000270423784 531868673 /nfs/dbraw/zinc/86/86/73/531868673.db2.gz MCPADFONBHJLRI-SECBINFHSA-N 1 0 390.303 1.589 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000418860366 531857240 /nfs/dbraw/zinc/85/72/40/531857240.db2.gz DXMOWANFOAEDOM-CHWSQXEVSA-N 1 0 395.301 1.094 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000418861026 531857534 /nfs/dbraw/zinc/85/75/34/531857534.db2.gz DXFDNGXAZKGRAR-AAEUAGOBSA-N 1 0 385.306 1.853 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)NCCCCN1CC[NH+](C)CC1 ZINC000642335158 531857653 /nfs/dbraw/zinc/85/76/53/531857653.db2.gz MJJDPKCSBMBRII-UHFFFAOYSA-N 1 0 375.922 1.655 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418863947 531857932 /nfs/dbraw/zinc/85/79/32/531857932.db2.gz IQAQEIQCGJCQHP-QWHCGFSZSA-N 1 0 385.295 1.557 20 0 GDADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418864813 531857952 /nfs/dbraw/zinc/85/79/52/531857952.db2.gz LBTFOHKEHRFOAQ-STQMWFEESA-N 1 0 395.301 1.012 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000418868492 531858209 /nfs/dbraw/zinc/85/82/09/531858209.db2.gz PYQCXZKEDVSTTI-STQMWFEESA-N 1 0 385.295 1.638 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000418867169 531858387 /nfs/dbraw/zinc/85/83/87/531858387.db2.gz NYHFZMOUGYRGRV-RYUDHWBXSA-N 1 0 383.290 1.479 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000454705662 531859335 /nfs/dbraw/zinc/85/93/35/531859335.db2.gz CBSBGRZEWKBFFU-KBPBESRZSA-N 1 0 385.306 1.783 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCCc2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000642506511 531859665 /nfs/dbraw/zinc/85/96/65/531859665.db2.gz SXEQOBJTTUVMSD-CMPLNLGQSA-N 1 0 388.331 1.755 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccc(Br)cn1 ZINC000418873338 531860622 /nfs/dbraw/zinc/86/06/22/531860622.db2.gz XNZOSHUBXKKDOC-BXUZGUMPSA-N 1 0 397.317 1.916 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418915121 531861058 /nfs/dbraw/zinc/86/10/58/531861058.db2.gz CDDLRNVOBYTSKK-HNNXBMFYSA-N 1 0 394.313 1.855 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000642777831 531862785 /nfs/dbraw/zinc/86/27/85/531862785.db2.gz IPODKMVYIOWLSU-GFCCVEGCSA-N 1 0 398.301 1.448 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418942516 531869187 /nfs/dbraw/zinc/86/91/87/531869187.db2.gz LLPZVZSSTRDPRQ-HIFRSBDPSA-N 1 0 380.286 1.811 20 0 GDADRO C[N@H+](CCCCNC(=O)NCCn1cc(Br)ccc1=O)C1CC1 ZINC000455164797 531863599 /nfs/dbraw/zinc/86/35/99/531863599.db2.gz UYMXZKOQSSHOAC-UHFFFAOYSA-N 1 0 385.306 1.784 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)NCCc2cc(Br)ccc2F)CC1 ZINC000418920697 531863738 /nfs/dbraw/zinc/86/37/38/531863738.db2.gz HWJJSEZRAYFKNZ-UHFFFAOYSA-N 1 0 386.265 1.633 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418926173 531864418 /nfs/dbraw/zinc/86/44/18/531864418.db2.gz TWMWCTFNBCXRCL-ZDUSSCGKSA-N 1 0 386.265 1.505 20 0 GDADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000367798889 531864716 /nfs/dbraw/zinc/86/47/16/531864716.db2.gz SCRBSHVALQNDSY-AAEUAGOBSA-N 1 0 387.299 1.757 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418927477 531864812 /nfs/dbraw/zinc/86/48/12/531864812.db2.gz XBMFVRIIEDJFAX-STQMWFEESA-N 1 0 398.276 1.315 20 0 GDADRO O=C(NCC1(c2ccc(Br)cc2)CCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418931590 531864940 /nfs/dbraw/zinc/86/49/40/531864940.db2.gz GKWGYLCQHJVNTQ-AWEZNQCLSA-N 1 0 380.286 1.465 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000367791684 531865272 /nfs/dbraw/zinc/86/52/72/531865272.db2.gz JOJFEEYSLQFWJZ-LERXQTSPSA-N 1 0 377.869 1.746 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919815 531865149 /nfs/dbraw/zinc/86/51/49/531865149.db2.gz IEXACQYWWXETCY-UHFFFAOYSA-N 1 0 384.274 1.155 20 0 GDADRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595004242 531865364 /nfs/dbraw/zinc/86/53/64/531865364.db2.gz QITKTCYVRPYMFD-CYBMUJFWSA-N 1 0 394.278 1.807 20 0 GDADRO O=C(c1cccc(Cl)c1)N1CCC[C@@H](S(=O)(=O)N2CCC[NH2+]CC2)C1 ZINC000564958279 531870429 /nfs/dbraw/zinc/87/04/29/531870429.db2.gz XLJASUYSIPGGFP-MRXNPFEDSA-N 1 0 385.917 1.570 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c1OC ZINC000564959164 531871245 /nfs/dbraw/zinc/87/12/45/531871245.db2.gz XSUODDZVAWSSBP-JTQLQIEISA-N 1 0 376.862 1.413 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000298274091 531871552 /nfs/dbraw/zinc/87/15/52/531871552.db2.gz IPFWOQUNIVDCJN-GJZGRUSLSA-N 1 0 376.906 1.483 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000564966766 531871664 /nfs/dbraw/zinc/87/16/64/531871664.db2.gz KSGGWBHMDZUIFM-ZDUSSCGKSA-N 1 0 375.878 1.665 20 0 GDADRO CCOC(=O)c1sc2ncc(S(=O)(=O)NC[C@@H]([NH3+])C3CC3)cc2c1C ZINC000564966116 531871672 /nfs/dbraw/zinc/87/16/72/531871672.db2.gz AZASPKWSADXMKQ-CYBMUJFWSA-N 1 0 383.495 1.797 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1I ZINC000595243722 531871849 /nfs/dbraw/zinc/87/18/49/531871849.db2.gz GYGXEXFDPWBZLX-SSDOTTSWSA-N 1 0 379.173 1.093 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cnc2c1Cl ZINC000564967495 531872435 /nfs/dbraw/zinc/87/24/35/531872435.db2.gz YSQUBENSPONOPA-ZDUSSCGKSA-N 1 0 383.905 1.701 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCOc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000418958422 531872446 /nfs/dbraw/zinc/87/24/46/531872446.db2.gz YOGNPGIAPPJTMG-FZMZJTMJSA-N 1 0 384.274 1.140 20 0 GDADRO OC[C@@H](Cc1ccncc1)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000564975838 531872892 /nfs/dbraw/zinc/87/28/92/531872892.db2.gz QPMCHIOPVXYRKN-HZPDHXFCSA-N 1 0 381.270 1.777 20 0 GDADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000270460436 531872990 /nfs/dbraw/zinc/87/29/90/531872990.db2.gz ABGJQCVTUFJSHH-STQMWFEESA-N 1 0 376.475 1.278 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(I)cn1 ZINC000455478560 531873238 /nfs/dbraw/zinc/87/32/38/531873238.db2.gz VBFSZTSRFRGLLJ-LBPRGKRZSA-N 1 0 389.237 1.527 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)C[C@H]1[NH3+] ZINC000418967223 531873792 /nfs/dbraw/zinc/87/37/92/531873792.db2.gz OUVKZQSUMWWDJE-TVQRCGJNSA-N 1 0 383.279 1.939 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000595334396 531874591 /nfs/dbraw/zinc/87/45/91/531874591.db2.gz YWEJSTBRIQNNKP-SNVBAGLBSA-N 1 0 391.287 1.466 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000283545919 531875041 /nfs/dbraw/zinc/87/50/41/531875041.db2.gz YDWJBBRPOISHSD-NSHDSACASA-N 1 0 381.420 1.488 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000418997337 531877508 /nfs/dbraw/zinc/87/75/08/531877508.db2.gz UCHGWYGHRZPQPC-FZMZJTMJSA-N 1 0 382.302 1.817 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418992662 531877780 /nfs/dbraw/zinc/87/77/80/531877780.db2.gz OIBSKNAUCFTQRO-DOMZBBRYSA-N 1 0 382.302 1.836 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1Br ZINC000419010468 531878243 /nfs/dbraw/zinc/87/82/43/531878243.db2.gz PRLFWLKYQIYTTQ-UHIISALHSA-N 1 0 398.301 1.831 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1Br ZINC000419012871 531880085 /nfs/dbraw/zinc/88/00/85/531880085.db2.gz XOHPREMSVUPTBG-GBIKHYSHSA-N 1 0 384.274 1.441 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419015261 531880471 /nfs/dbraw/zinc/88/04/71/531880471.db2.gz BFXCGXQJJVDGAR-WFASDCNBSA-N 1 0 382.302 1.836 20 0 GDADRO O=C(NCc1ccc(Br)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000283623108 531880620 /nfs/dbraw/zinc/88/06/20/531880620.db2.gz STFUCUMETGIGMQ-CYBMUJFWSA-N 1 0 380.286 1.666 20 0 GDADRO CO[C@@H]1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[C@@H](C[NH3+])C1 ZINC000566248482 531882588 /nfs/dbraw/zinc/88/25/88/531882588.db2.gz FBAXXPXRZLDCKH-VXGBXAGGSA-N 1 0 375.878 1.290 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000566244657 531882761 /nfs/dbraw/zinc/88/27/61/531882761.db2.gz MWSFOHIXNMUBIL-GASCZTMLSA-N 1 0 388.555 1.326 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419031603 531883927 /nfs/dbraw/zinc/88/39/27/531883927.db2.gz AGRMVBZDAPZMIN-GWCFXTLKSA-N 1 0 382.258 1.209 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000418943048 531869492 /nfs/dbraw/zinc/86/94/92/531869492.db2.gz YFIPKALIUTZBLD-ZIAGYGMSSA-N 1 0 384.274 1.030 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)Cc2ccccc2Br)C1 ZINC000419051718 531892310 /nfs/dbraw/zinc/89/23/10/531892310.db2.gz GMXDLNOKVOLLPI-OLZOCXBDSA-N 1 0 382.302 1.564 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419052775 531892564 /nfs/dbraw/zinc/89/25/64/531892564.db2.gz IIEXZUVNHSPWMN-BXKDBHETSA-N 1 0 388.693 1.833 20 0 GDADRO C[NH+]1CCC(CCNC(=O)C(=O)NCc2cc(Br)cs2)CC1 ZINC000283777643 531893742 /nfs/dbraw/zinc/89/37/42/531893742.db2.gz DWMTZBSFDCNUTR-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419053926 531894256 /nfs/dbraw/zinc/89/42/56/531894256.db2.gz KVSJDGWILLKHKQ-SNVBAGLBSA-N 1 0 386.265 1.585 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000270570224 531894316 /nfs/dbraw/zinc/89/43/16/531894316.db2.gz GUCJODIPPUPRJD-QWHCGFSZSA-N 1 0 375.853 1.483 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000419082263 531899594 /nfs/dbraw/zinc/89/95/94/531899594.db2.gz UKGLIQYTESASAZ-SWLSCSKDSA-N 1 0 394.313 1.854 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419056361 531895347 /nfs/dbraw/zinc/89/53/47/531895347.db2.gz QYAXWNAGHHICCO-KGLIPLIRSA-N 1 0 382.302 1.755 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000567581512 531898075 /nfs/dbraw/zinc/89/80/75/531898075.db2.gz FWXUPAAUSGXWIY-HOCLYGCPSA-N 1 0 386.334 1.414 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419035974 531884658 /nfs/dbraw/zinc/88/46/58/531884658.db2.gz FVYVLXYZUFAEIK-MFKMUULPSA-N 1 0 384.274 1.361 20 0 GDADRO O=C1[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCN1C1CCOCC1 ZINC000673885282 531884894 /nfs/dbraw/zinc/88/48/94/531884894.db2.gz BRDTZHCCPSYOPL-OAHLLOKOSA-N 1 0 393.285 1.966 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419038988 531885708 /nfs/dbraw/zinc/88/57/08/531885708.db2.gz GMXVNYVTAPQLLE-JTQLQIEISA-N 1 0 375.803 1.673 20 0 GDADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccnc1OCC(F)F ZINC000625216900 531886468 /nfs/dbraw/zinc/88/64/68/531886468.db2.gz UYNCZKKFGGWDPV-STQMWFEESA-N 1 0 375.441 1.973 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2c(=O)scc2C(F)(F)F)C1 ZINC000673975224 531886493 /nfs/dbraw/zinc/88/64/93/531886493.db2.gz KWXKHEWMSRKXEH-NSHDSACASA-N 1 0 381.420 1.402 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419041592 531886891 /nfs/dbraw/zinc/88/68/91/531886891.db2.gz NTIQXIIXOHQZBD-AWEZNQCLSA-N 1 0 394.269 1.425 20 0 GDADRO O=S1(=O)CCCN1CC[NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017427 531887536 /nfs/dbraw/zinc/88/75/36/531887536.db2.gz RLQUYBBAXIFAGT-AWEZNQCLSA-N 1 0 382.404 1.634 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CCC(C[NH3+])CC1)c1nc(C(F)(F)F)cs1 ZINC000419040212 531887634 /nfs/dbraw/zinc/88/76/34/531887634.db2.gz IKMDIPPPNOWYPU-JTQLQIEISA-N 1 0 378.420 1.927 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017927 531888007 /nfs/dbraw/zinc/88/80/07/531888007.db2.gz SWRKQTMHMVOHQM-AWEZNQCLSA-N 1 0 384.420 1.880 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566505462 531888477 /nfs/dbraw/zinc/88/84/77/531888477.db2.gz WLALYAQZDZJKSS-NWDGAFQWSA-N 1 0 397.273 1.624 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419043545 531888754 /nfs/dbraw/zinc/88/87/54/531888754.db2.gz RNWWAZIQJDOTEY-CQSZACIVSA-N 1 0 396.285 1.647 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CCN2C1=O ZINC000566496438 531889195 /nfs/dbraw/zinc/88/91/95/531889195.db2.gz RNJUREWNSNMFOY-PELKAZGASA-N 1 0 397.806 1.291 20 0 GDADRO Cc1c(Br)ccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1F ZINC000566504458 531889351 /nfs/dbraw/zinc/88/93/51/531889351.db2.gz JFHAXYCGRCCVPT-ONGXEEELSA-N 1 0 385.237 1.672 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2ccnc(OCC(F)(F)F)n2)C[C@@H]1[NH+](C)C ZINC000455996423 531889498 /nfs/dbraw/zinc/88/94/98/531889498.db2.gz YYUJBUIWWUAFSA-UWVGGRQHSA-N 1 0 379.408 1.927 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000419046539 531889941 /nfs/dbraw/zinc/88/99/41/531889941.db2.gz VPWOOUNDZBQVIQ-JOYOIKCWSA-N 1 0 375.803 1.753 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419044560 531890138 /nfs/dbraw/zinc/89/01/38/531890138.db2.gz PZXKCUDBNKVUKG-SKDRFNHKSA-N 1 0 375.803 1.672 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419046823 531890962 /nfs/dbraw/zinc/89/09/62/531890962.db2.gz WHYXHEDJGKSHOE-XPTSAGLGSA-N 1 0 378.420 1.927 20 0 GDADRO CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@]3(C)CC[NH2+]C3)cc2c1C ZINC000596051491 531905286 /nfs/dbraw/zinc/90/52/86/531905286.db2.gz PSFKDLIQMPWVBE-MRXNPFEDSA-N 1 0 383.495 1.812 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368375665 531908102 /nfs/dbraw/zinc/90/81/02/531908102.db2.gz JTMAGMXWWQEWJZ-CYBMUJFWSA-N 1 0 392.253 1.303 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)Oc1ccccc1Br ZINC000568491845 531908532 /nfs/dbraw/zinc/90/85/32/531908532.db2.gz RVJDQQHQWDWNQY-GFCCVEGCSA-N 1 0 398.301 1.448 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419166812 531909021 /nfs/dbraw/zinc/90/90/21/531909021.db2.gz PRYFUTVERSXFEN-XNRPHZJLSA-N 1 0 394.313 1.878 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419191520 531910628 /nfs/dbraw/zinc/91/06/28/531910628.db2.gz RVWVQEFJBLQOLF-KBPBESRZSA-N 1 0 395.301 1.012 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000419194784 531911638 /nfs/dbraw/zinc/91/16/38/531911638.db2.gz UDQKFYANIWTUHI-LBPRGKRZSA-N 1 0 382.302 1.694 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419197480 531912343 /nfs/dbraw/zinc/91/23/43/531912343.db2.gz BDQTYWXYERZKPZ-QGZVFWFLSA-N 1 0 396.285 1.286 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000675781961 531912983 /nfs/dbraw/zinc/91/29/83/531912983.db2.gz IRRUPGMPRVITCG-ZDUSSCGKSA-N 1 0 397.317 1.530 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1ccccc1Br ZINC000419204579 531913070 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Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419302177 531922932 /nfs/dbraw/zinc/92/29/32/531922932.db2.gz PGRBHGZXYILIQM-KGLIPLIRSA-N 1 0 394.313 1.750 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419351056 531927054 /nfs/dbraw/zinc/92/70/54/531927054.db2.gz GSCVDBWEODABCO-STQMWFEESA-N 1 0 384.274 1.460 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419348845 531927087 /nfs/dbraw/zinc/92/70/87/531927087.db2.gz BZYYHAWRPBXOTP-MNOVXSKESA-N 1 0 384.274 1.283 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)NCc1cc(Br)cs1 ZINC000284067551 531926111 /nfs/dbraw/zinc/92/61/11/531926111.db2.gz UOBCZJSMFIULMG-UHFFFAOYSA-N 1 0 392.319 1.211 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCc3ccccc3Br)C[C@H]12 ZINC000419211324 531915224 /nfs/dbraw/zinc/91/52/24/531915224.db2.gz XBMNUSYVEZKFPN-KCQAQPDRSA-N 1 0 380.286 1.304 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419212129 531915516 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GDADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)COc1ccc2c(c1)OCO2 ZINC000569838680 531931687 /nfs/dbraw/zinc/93/16/87/531931687.db2.gz JOLNVWSCTMIBRX-LBPRGKRZSA-N 1 0 384.230 1.404 20 0 GDADRO CC[N@H+](CCCNC(=O)NCCCN(C)S(C)(=O)=O)C1CCCCC1 ZINC000650674863 531932069 /nfs/dbraw/zinc/93/20/69/531932069.db2.gz ATRSXKWPSRNIMT-UHFFFAOYSA-N 1 0 376.567 1.612 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(O)c(Br)c2)[C@@H]1C[NH3+] ZINC000419410671 531932160 /nfs/dbraw/zinc/93/21/60/531932160.db2.gz OQKREHRLRGAJJK-ZWNOBZJWSA-N 1 0 384.274 1.357 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)Oc1cccc(Br)c1 ZINC000419602375 531939611 /nfs/dbraw/zinc/93/96/11/531939611.db2.gz AKAIHKJWPVVUAE-XGNXJENSSA-N 1 0 398.301 1.719 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000419446112 531933241 /nfs/dbraw/zinc/93/32/41/531933241.db2.gz SJBAVPBBKMFBHQ-CMPLNLGQSA-N 1 0 384.274 1.331 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000419442720 531933452 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C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000419609710 531941517 /nfs/dbraw/zinc/94/15/17/531941517.db2.gz JJXAKFQRYPBRIV-YPMHNXCESA-N 1 0 384.274 1.201 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000626910702 531941516 /nfs/dbraw/zinc/94/15/16/531941516.db2.gz CPDDCJXPGBLVKZ-JOYOIKCWSA-N 1 0 382.251 1.984 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000270920106 531941927 /nfs/dbraw/zinc/94/19/27/531941927.db2.gz CROWNGQOXHCDRH-LLVKDONJSA-N 1 0 385.258 1.762 20 0 GDADRO O=C(CCNC(=O)NC[C@H]1COCC[NH2+]1)Nc1cc(Cl)cc(Cl)c1 ZINC000627044665 531942864 /nfs/dbraw/zinc/94/28/64/531942864.db2.gz BFHXYZJEVNLFOP-ZDUSSCGKSA-N 1 0 375.256 1.610 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)Oc1ccc(Br)cc1 ZINC000419614027 531943083 /nfs/dbraw/zinc/94/30/83/531943083.db2.gz OCTHBBTZSCQVEL-NEPJUHHUSA-N 1 0 384.274 1.153 20 0 GDADRO Cn1cc(Br)c(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000627050227 531943349 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375.850 1.121 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000419628839 531946732 /nfs/dbraw/zinc/94/67/32/531946732.db2.gz ZTWGTFVSAHQQMN-XQQFMLRXSA-N 1 0 398.301 1.528 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1CC[NH3+] ZINC000652378279 531946879 /nfs/dbraw/zinc/94/68/79/531946879.db2.gz DECAFYJNNIRPIL-BBRMVZONSA-N 1 0 389.543 1.075 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627186320 531946976 /nfs/dbraw/zinc/94/69/76/531946976.db2.gz MZDFVNWROIKXLP-AWEZNQCLSA-N 1 0 386.290 1.848 20 0 GDADRO C[NH2+]CCOCCNC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000627170528 531947031 /nfs/dbraw/zinc/94/70/31/531947031.db2.gz BVYGNJXINZRYQV-OAHLLOKOSA-N 1 0 386.290 1.768 20 0 GDADRO CCN(C)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000299013344 531949092 /nfs/dbraw/zinc/94/90/92/531949092.db2.gz OCGFCRAXLZINJC-UHFFFAOYSA-N 1 0 383.290 1.973 20 0 GDADRO C[C@H](Cc1ccsc1)NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627301666 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388.331 1.973 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 ZINC000271228376 531984719 /nfs/dbraw/zinc/98/47/19/531984719.db2.gz SKRQNZKCSBGFNO-UHFFFAOYSA-N 1 0 381.495 1.207 20 0 GDADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284715680 531984924 /nfs/dbraw/zinc/98/49/24/531984924.db2.gz JHEBSLACWXWMMC-BMIGLBTASA-N 1 0 399.289 1.746 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419914997 531985440 /nfs/dbraw/zinc/98/54/40/531985440.db2.gz OULLLVPSGBMKLL-NSHDSACASA-N 1 0 386.265 1.662 20 0 GDADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419925873 531986039 /nfs/dbraw/zinc/98/60/39/531986039.db2.gz UBHWWNKXLZWZCB-CYBMUJFWSA-N 1 0 394.313 1.881 20 0 GDADRO CNS(=O)(=O)CCN1CCC[C@H]1c1ccc(I)cc1 ZINC000598591934 531986557 /nfs/dbraw/zinc/98/65/57/531986557.db2.gz CCXCXJCRTZBGKS-ZDUSSCGKSA-N 1 0 394.278 1.977 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1F ZINC000271237919 531987603 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COc1ccc(Br)cc1CN(C)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419971269 531991581 /nfs/dbraw/zinc/99/15/81/531991581.db2.gz GBMSLIUYXDJLOX-CYBMUJFWSA-N 1 0 386.290 1.516 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000420011981 531995611 /nfs/dbraw/zinc/99/56/11/531995611.db2.gz ZLAUTUXVBILQAK-GFCCVEGCSA-N 1 0 382.302 1.793 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ncc1Br ZINC000370622758 531997135 /nfs/dbraw/zinc/99/71/35/531997135.db2.gz RACQLLOVQKQRQJ-NEPJUHHUSA-N 1 0 381.274 1.834 20 0 GDADRO Cc1nc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000370622089 531997524 /nfs/dbraw/zinc/99/75/24/531997524.db2.gz KSXBYVFIIHFYHM-NWDGAFQWSA-N 1 0 381.274 1.834 20 0 GDADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000420036123 531998172 /nfs/dbraw/zinc/99/81/72/531998172.db2.gz IRJCTKQVJKXFBH-RISCZKNCSA-N 1 0 396.285 1.414 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000420054310 531999207 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GDADRO CC(C)([NH3+])CNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000420074976 532001166 /nfs/dbraw/zinc/00/11/66/532001166.db2.gz IVRICLBOIDEZHC-UHFFFAOYSA-N 1 0 380.286 1.918 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420093839 532001239 /nfs/dbraw/zinc/00/12/39/532001239.db2.gz DEQHZKKKMDUJSQ-IUODEOHRSA-N 1 0 382.302 1.830 20 0 GDADRO Cc1nc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)sc1Br ZINC000458932726 532001394 /nfs/dbraw/zinc/00/13/94/532001394.db2.gz RFLNSSIHTNGVJT-ZJUUUORDSA-N 1 0 391.335 1.811 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420130255 532004012 /nfs/dbraw/zinc/00/40/12/532004012.db2.gz WNJDPBGKKGFDGQ-OAHLLOKOSA-N 1 0 388.331 1.975 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599099371 532004543 /nfs/dbraw/zinc/00/45/43/532004543.db2.gz BXLOGKFFYFUXSF-RNJOBUHISA-N 1 0 386.436 1.507 20 0 GDADRO COC(=O)c1oc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000599101660 532004563 /nfs/dbraw/zinc/00/45/63/532004563.db2.gz NUVJEMNLRDXPPF-NXEZZACHSA-N 1 0 384.376 1.522 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000420124284 532004645 /nfs/dbraw/zinc/00/46/45/532004645.db2.gz ROPVMNUKCJKMAP-QMTHXVAHSA-N 1 0 386.265 1.661 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000420132972 532004780 /nfs/dbraw/zinc/00/47/80/532004780.db2.gz SVUZZNUJLUITBA-LBPRGKRZSA-N 1 0 382.302 1.663 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000420110817 532003079 /nfs/dbraw/zinc/00/30/79/532003079.db2.gz FVKCACSAYWBRMR-RKDXNWHRSA-N 1 0 375.313 1.444 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000420110815 532003194 /nfs/dbraw/zinc/00/31/94/532003194.db2.gz FVKCACSAYWBRMR-IUCAKERBSA-N 1 0 375.313 1.444 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000420136758 532005433 /nfs/dbraw/zinc/00/54/33/532005433.db2.gz JMOXFTFQPQPHMO-UHFFFAOYSA-N 1 0 378.270 1.370 20 0 GDADRO Cc1c(Br)cncc1C[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000657394399 532005761 /nfs/dbraw/zinc/00/57/61/532005761.db2.gz JLYORRHHQIHOBV-BXUZGUMPSA-N 1 0 376.320 1.960 20 0 GDADRO C[NH+](C)C1(CNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000420172804 532007060 /nfs/dbraw/zinc/00/70/60/532007060.db2.gz QFBBABKKMKPMJN-UHFFFAOYSA-N 1 0 379.404 1.194 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420210692 532009681 /nfs/dbraw/zinc/00/96/81/532009681.db2.gz NRFZLRAPSUFDKB-IJLUTSLNSA-N 1 0 384.274 1.505 20 0 GDADRO COCC1(CNC(=O)c2cnn3cc(Br)cnc23)CC[NH2+]CC1 ZINC000575244883 532010554 /nfs/dbraw/zinc/01/05/54/532010554.db2.gz HLJAALQGMDSMKL-UHFFFAOYSA-N 1 0 382.262 1.238 20 0 GDADRO C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000632048342 532010529 /nfs/dbraw/zinc/01/05/29/532010529.db2.gz HDECTDCSLAYRFE-CQSZACIVSA-N 1 0 375.485 1.625 20 0 GDADRO C[C@@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1cc2c(cc1Br)OCCO2 ZINC000459385773 532013085 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Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1I ZINC000420453493 532015945 /nfs/dbraw/zinc/01/59/45/532015945.db2.gz USVKNAGQFBICNE-MFKMUULPSA-N 1 0 392.262 1.582 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271437645 532016336 /nfs/dbraw/zinc/01/63/36/532016336.db2.gz FUZOVOFTKZSOFE-LLVKDONJSA-N 1 0 384.470 1.661 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000420453415 532015670 /nfs/dbraw/zinc/01/56/70/532015670.db2.gz KFNMCTNRHORTKQ-ZFWWWQNUSA-N 1 0 389.543 1.634 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000420452456 532015685 /nfs/dbraw/zinc/01/56/85/532015685.db2.gz SMHXKGWNAVCVHD-GFCCVEGCSA-N 1 0 391.287 1.656 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000576151510 532018370 /nfs/dbraw/zinc/01/83/70/532018370.db2.gz ZLWLSUIGNJTUAQ-OAHLLOKOSA-N 1 0 376.544 1.277 20 0 GDADRO CN(CC[NH3+])S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000420466255 532018521 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CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1F ZINC000420482109 532021513 /nfs/dbraw/zinc/02/15/13/532021513.db2.gz SJNBMTDAYQHHIY-NWDGAFQWSA-N 1 0 393.506 1.193 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000299703577 532021917 /nfs/dbraw/zinc/02/19/17/532021917.db2.gz PICNEZMUDCMQRB-UONOGXRCSA-N 1 0 387.889 1.394 20 0 GDADRO CO[C@H]1COCC[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000576697707 532026892 /nfs/dbraw/zinc/02/68/92/532026892.db2.gz IAXDERYHPPLSEV-WFASDCNBSA-N 1 0 392.315 1.864 20 0 GDADRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cc(C)ccc2C)C[C@H]1[NH+](C)C ZINC000576675293 532025961 /nfs/dbraw/zinc/02/59/61/532025961.db2.gz NMKKJPLIMBBHHJ-HUUCEWRRSA-N 1 0 385.555 1.086 20 0 GDADRO Cc1ccc(O[C@H](C)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000599336001 532030310 /nfs/dbraw/zinc/03/03/10/532030310.db2.gz RJKGOMWEWWLXOP-ZIAGYGMSSA-N 1 0 384.318 1.887 20 0 GDADRO O=C1CC[C@@H](NS(=O)(=O)c2c(F)cccc2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000576943079 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AVRZXZAWBXEJGB-ZDUSSCGKSA-N 1 0 384.933 1.967 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)NCCc2cccc(Br)c2)CCC1 ZINC000422329966 532059022 /nfs/dbraw/zinc/05/90/22/532059022.db2.gz JMDBWWZRFKELQJ-UHFFFAOYSA-N 1 0 382.302 1.708 20 0 GDADRO CS[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N(C)C)C[C@H]1[NH+](C)C ZINC000271869661 532059748 /nfs/dbraw/zinc/05/97/48/532059748.db2.gz ZMQPWVQOUDEDFM-GHMZBOCLSA-N 1 0 377.557 1.116 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000467677060 532062662 /nfs/dbraw/zinc/06/26/62/532062662.db2.gz GSTKQRYICLBXPT-KBPBESRZSA-N 1 0 387.933 1.997 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc2nccnc2c1Br ZINC000579688285 532062874 /nfs/dbraw/zinc/06/28/74/532062874.db2.gz LYDZKMQBAXPUJQ-JTQLQIEISA-N 1 0 379.262 1.417 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422483481 532064646 /nfs/dbraw/zinc/06/46/46/532064646.db2.gz AJPUSIKEDDNGNE-ZDUSSCGKSA-N 1 0 399.333 1.594 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cccc(I)c2)CC1 ZINC000271962527 532067590 /nfs/dbraw/zinc/06/75/90/532067590.db2.gz ZNORLCZARKVKQO-UHFFFAOYSA-N 1 0 399.232 1.608 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731020 532065670 /nfs/dbraw/zinc/06/56/70/532065670.db2.gz YPIFASHXBZIXDN-BBWFWOEESA-N 1 0 399.329 1.950 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000468498444 532067913 /nfs/dbraw/zinc/06/79/13/532067913.db2.gz XYYZPXHJGUNJAH-MRXNPFEDSA-N 1 0 381.274 1.796 20 0 GDADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CC2 ZINC000579792113 532068368 /nfs/dbraw/zinc/06/83/68/532068368.db2.gz OEHFLYVKFRECOK-WCQYABFASA-N 1 0 396.289 1.342 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423087233 532071052 /nfs/dbraw/zinc/07/10/52/532071052.db2.gz NKPCIYXRFDZXKG-NUEKZKHPSA-N 1 0 382.302 1.911 20 0 GDADRO C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423207961 532073597 /nfs/dbraw/zinc/07/35/97/532073597.db2.gz HKSCQYSCRLCBJW-QWRGUYRKSA-N 1 0 376.320 1.747 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423467282 532075065 /nfs/dbraw/zinc/07/50/65/532075065.db2.gz DLELYYPVRMDTSH-RYUDHWBXSA-N 1 0 380.286 1.845 20 0 GDADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580725664 532075251 /nfs/dbraw/zinc/07/52/51/532075251.db2.gz SUKXAXMJIMCBAL-OCCSQVGLSA-N 1 0 396.285 1.620 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)C1 ZINC000423465761 532075666 /nfs/dbraw/zinc/07/56/66/532075666.db2.gz COGFFMRNXXWCSY-RYUDHWBXSA-N 1 0 380.286 1.715 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2F)CC[C@@H]1[NH3+] ZINC000423230804 532074636 /nfs/dbraw/zinc/07/46/36/532074636.db2.gz KEUZSCSKYZAEPB-HZMBPMFUSA-N 1 0 386.265 1.742 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Br)[C@@H](C)C[NH2+]1 ZINC000423650897 532078150 /nfs/dbraw/zinc/07/81/50/532078150.db2.gz LEXOLXNCIYCQGV-MNOVXSKESA-N 1 0 386.265 1.755 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)C1 ZINC000423478187 532075964 /nfs/dbraw/zinc/07/59/64/532075964.db2.gz MZVCPSFDVQMKNU-CHWSQXEVSA-N 1 0 394.313 1.963 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)C[C@@H]1[NH3+] ZINC000423473591 532075968 /nfs/dbraw/zinc/07/59/68/532075968.db2.gz IYLUAUHCNGGWAP-ZETOZRRWSA-N 1 0 380.286 1.700 20 0 GDADRO C[S@](=O)C1(C(=O)NCCc2ccc(OC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000602443414 532076858 /nfs/dbraw/zinc/07/68/58/532076858.db2.gz UZFZBUBIZPVEDI-VWLOTQADSA-N 1 0 378.416 1.745 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602446942 532076976 /nfs/dbraw/zinc/07/69/76/532076976.db2.gz HBZZMXRWEWBQQV-YTEVENLXSA-N 1 0 387.343 1.997 20 0 GDADRO O=C(CN1CC[NH2+]CC1)NCc1cc(Cl)ccc1I ZINC000602518190 532078725 /nfs/dbraw/zinc/07/87/25/532078725.db2.gz LSMJPTGFTBXFFV-UHFFFAOYSA-N 1 0 393.656 1.466 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423702454 532079510 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O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000327523007 532083939 /nfs/dbraw/zinc/08/39/39/532083939.db2.gz WARHVFQKIDUOOL-CQSZACIVSA-N 1 0 377.388 1.608 20 0 GDADRO O=C(c1csc(C(F)(F)F)n1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000373507893 532084141 /nfs/dbraw/zinc/08/41/41/532084141.db2.gz CQJBUMYVAWOJRN-UHFFFAOYSA-N 1 0 379.404 1.461 20 0 GDADRO Ic1cnc(N2CC[NH+](C[C@@H]3CCSC3)CC2)nc1 ZINC000602735214 532083094 /nfs/dbraw/zinc/08/30/94/532083094.db2.gz TVUZKEQBSMNWHM-NSHDSACASA-N 1 0 390.294 1.956 20 0 GDADRO OCC[C@@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000470202689 532083269 /nfs/dbraw/zinc/08/32/69/532083269.db2.gz KMYNNQNSYYFHIU-KGLIPLIRSA-N 1 0 376.316 1.989 20 0 GDADRO CCOc1cc(C[NH2+]CC(=O)NCC(=O)OC)cc(Br)c1OC ZINC000602749535 532084750 /nfs/dbraw/zinc/08/47/50/532084750.db2.gz WWTAKOZYDJWCQP-UHFFFAOYSA-N 1 0 389.246 1.235 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000272237137 532086577 /nfs/dbraw/zinc/08/65/77/532086577.db2.gz KKIVOLQTGNDXGE-NXEZZACHSA-N 1 0 384.221 1.748 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000470849606 532088469 /nfs/dbraw/zinc/08/84/69/532088469.db2.gz SLPQIFDJRFTYRT-UHFFFAOYSA-N 1 0 398.301 1.975 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1Br ZINC000272270063 532088816 /nfs/dbraw/zinc/08/88/16/532088816.db2.gz BCHZRWDFJQGPNS-BXUZGUMPSA-N 1 0 396.285 1.949 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000285540738 532092479 /nfs/dbraw/zinc/09/24/79/532092479.db2.gz QAELBAYLFCWFFZ-HZMBPMFUSA-N 1 0 398.276 1.946 20 0 GDADRO CN(C[C@@H]1CCCN(CCS(=O)(=O)Cc2ccccc2)C1)S(C)(=O)=O ZINC000285557668 532093819 /nfs/dbraw/zinc/09/38/19/532093819.db2.gz JIURCQYTSPLLTQ-KRWDZBQOSA-N 1 0 388.555 1.205 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272379302 532094211 /nfs/dbraw/zinc/09/42/11/532094211.db2.gz WAMWNQCFDBYJFB-RISCZKNCSA-N 1 0 396.285 1.949 20 0 GDADRO Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000424433906 532094574 /nfs/dbraw/zinc/09/45/74/532094574.db2.gz JCCDGQLIERDYAI-CQSZACIVSA-N 1 0 383.495 1.472 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000424455805 532095025 /nfs/dbraw/zinc/09/50/25/532095025.db2.gz UNSYXPUTFKCPNB-ZIAGYGMSSA-N 1 0 383.290 1.748 20 0 GDADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000329296887 532102483 /nfs/dbraw/zinc/10/24/83/532102483.db2.gz OXTQBEIAJYXGQT-CABCVRRESA-N 1 0 385.555 1.844 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1Br ZINC000373938204 532103265 /nfs/dbraw/zinc/10/32/65/532103265.db2.gz LCZVAEDIKYELJC-UHFFFAOYSA-N 1 0 388.287 1.017 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)s1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373929984 532103551 /nfs/dbraw/zinc/10/35/51/532103551.db2.gz USKQWPOJFIOLQJ-WDEREUQCSA-N 1 0 386.315 1.983 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1Cl ZINC000272524547 532103641 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ZINC000333316736 532229930 /nfs/dbraw/zinc/22/99/30/532229930.db2.gz MLIUDQROIPRMMO-YPMHNXCESA-N 1 0 398.305 1.800 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cscc3Br)CC2)C1=O ZINC000333406248 532232834 /nfs/dbraw/zinc/23/28/34/532232834.db2.gz GOFYKRCKKCMDLM-CYBMUJFWSA-N 1 0 386.315 1.936 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000333409869 532233888 /nfs/dbraw/zinc/23/38/88/532233888.db2.gz ZSBQVMRPTLPRTA-SMDDNHRTSA-N 1 0 398.305 1.943 20 0 GDADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000333097063 532219575 /nfs/dbraw/zinc/21/95/75/532219575.db2.gz BWRPZZGAHHUUSE-SNVBAGLBSA-N 1 0 375.288 1.614 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000287501113 532219683 /nfs/dbraw/zinc/21/96/83/532219683.db2.gz QRDXTLMGIHDXFN-UHFFFAOYSA-N 1 0 394.273 1.787 20 0 GDADRO O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCC[C@H]1CC[NH2+]C1 ZINC000429111174 532222618 /nfs/dbraw/zinc/22/26/18/532222618.db2.gz FYFCOZRRSJSYJO-LLVKDONJSA-N 1 0 394.269 1.551 20 0 GDADRO Cc1nc(S(=O)(=O)NCc2cccnc2N2CC[NH+](C)CC2)sc1C ZINC000333159050 532222746 /nfs/dbraw/zinc/22/27/46/532222746.db2.gz NEJLBFTWMIYUBC-UHFFFAOYSA-N 1 0 381.527 1.385 20 0 GDADRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000333150067 532222924 /nfs/dbraw/zinc/22/29/24/532222924.db2.gz AMDVYAMBSSGXCP-MRXNPFEDSA-N 1 0 394.603 1.727 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCC1)c1nc(C(F)(F)F)cs1 ZINC000287589686 532226189 /nfs/dbraw/zinc/22/61/89/532226189.db2.gz CSBSMXQKRAYBKG-SECBINFHSA-N 1 0 378.420 1.940 20 0 GDADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1[nH]nc(C2CC2)c1Br ZINC000333251578 532226795 /nfs/dbraw/zinc/22/67/95/532226795.db2.gz GWDUADNGGTWJOL-UHFFFAOYSA-N 1 0 396.333 1.996 20 0 GDADRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000287788700 532241671 /nfs/dbraw/zinc/24/16/71/532241671.db2.gz CEIMLGHCDKQZGY-IUODEOHRSA-N 1 0 396.285 1.709 20 0 GDADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000333647117 532242733 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/nfs/dbraw/zinc/25/38/05/532253805.db2.gz DZBLIIMVKCZRKQ-UHFFFAOYSA-N 1 0 394.324 1.131 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1csc(Br)c1 ZINC000377743261 532271772 /nfs/dbraw/zinc/27/17/72/532271772.db2.gz PEVWESZTNZKZRK-CYBMUJFWSA-N 1 0 388.331 1.647 20 0 GDADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333897371 532254561 /nfs/dbraw/zinc/25/45/61/532254561.db2.gz AZVPYTLSFGJZPH-QWHCGFSZSA-N 1 0 396.285 1.971 20 0 GDADRO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430750560 532256560 /nfs/dbraw/zinc/25/65/60/532256560.db2.gz BSGGRXPWSOPLQF-SNVBAGLBSA-N 1 0 377.304 1.910 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000288010512 532257537 /nfs/dbraw/zinc/25/75/37/532257537.db2.gz GWRKBPNUWARJEH-CQSZACIVSA-N 1 0 389.543 1.090 20 0 GDADRO C[C@@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H](C)[NH2+]1 ZINC000430922239 532257590 /nfs/dbraw/zinc/25/75/90/532257590.db2.gz YOMUODOVQLDSIB-VXGBXAGGSA-N 1 0 383.290 1.186 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1 ZINC000275162631 532272141 /nfs/dbraw/zinc/27/21/41/532272141.db2.gz UXJYZTIXUXYUHG-OCCSQVGLSA-N 1 0 389.568 1.308 20 0 GDADRO O=C(COC1C[NH2+]C1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000431019347 532259643 /nfs/dbraw/zinc/25/96/43/532259643.db2.gz OFCSSJYBMWGQQL-UHFFFAOYSA-N 1 0 382.302 1.518 20 0 GDADRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000431014472 532259891 /nfs/dbraw/zinc/25/98/91/532259891.db2.gz JLJJJCRZPLFSLV-UHFFFAOYSA-N 1 0 381.420 1.775 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000377570739 532264317 /nfs/dbraw/zinc/26/43/17/532264317.db2.gz BDONFLPIZMDVJX-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000288211856 532272403 /nfs/dbraw/zinc/27/24/03/532272403.db2.gz ZBEGDMJJCGJGGK-SNVBAGLBSA-N 1 0 394.273 1.787 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)CCCO1 ZINC000288167731 532268936 /nfs/dbraw/zinc/26/89/36/532268936.db2.gz PWZSECFUMCEZLB-ZDUSSCGKSA-N 1 0 387.933 1.977 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000288242432 532274901 /nfs/dbraw/zinc/27/49/01/532274901.db2.gz SNHOGLKIQIMTFW-LBPRGKRZSA-N 1 0 378.901 1.426 20 0 GDADRO CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000349450315 532285458 /nfs/dbraw/zinc/28/54/58/532285458.db2.gz ABHJKBRPDPADEV-XJKSGUPXSA-N 1 0 389.543 1.394 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](CCO)CSC)CC2)cc1 ZINC000378497077 532289263 /nfs/dbraw/zinc/28/92/63/532289263.db2.gz NXCWYZKJMFAZHX-OAHLLOKOSA-N 1 0 388.555 1.552 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)[C@@H](CO)SC)CC2)cc1 ZINC000378495501 532289398 /nfs/dbraw/zinc/28/93/98/532289398.db2.gz MMKDEEJHUDIMCF-CXAGYDPISA-N 1 0 388.555 1.550 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000288517013 532294122 /nfs/dbraw/zinc/29/41/22/532294122.db2.gz YPNPTQUSUKRUHZ-LBPRGKRZSA-N 1 0 391.921 1.603 20 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/nfs/dbraw/zinc/29/72/84/532297284.db2.gz PIHFHSUEVHHRJE-KGLIPLIRSA-N 1 0 388.511 1.575 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000392188044 532298466 /nfs/dbraw/zinc/29/84/66/532298466.db2.gz OWYCUDHPYFMVCY-UHFFFAOYSA-N 1 0 385.839 1.885 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000391789520 532298713 /nfs/dbraw/zinc/29/87/13/532298713.db2.gz AAPJORMXFRQNOU-MRXNPFEDSA-N 1 0 376.906 1.231 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc(I)c1 ZINC000394815338 532301543 /nfs/dbraw/zinc/30/15/43/532301543.db2.gz VGXUFWQIQHYARE-CQSZACIVSA-N 1 0 385.249 1.411 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000400236959 532304057 /nfs/dbraw/zinc/30/40/57/532304057.db2.gz HBFJDRBGOTVZFC-STQMWFEESA-N 1 0 397.324 1.747 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000275676826 532305288 /nfs/dbraw/zinc/30/52/88/532305288.db2.gz VZZBHVHUOHICFM-QWRGUYRKSA-N 1 0 381.278 1.182 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275724902 532307991 /nfs/dbraw/zinc/30/79/91/532307991.db2.gz ZHWOCLCTMDOICD-OCCSQVGLSA-N 1 0 395.305 1.386 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000289137999 532316422 /nfs/dbraw/zinc/31/64/22/532316422.db2.gz JXBOVJDRBMDBJR-INIZCTEOSA-N 1 0 385.917 1.408 20 0 GDADRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cccc(Br)n1 ZINC000289215158 532318452 /nfs/dbraw/zinc/31/84/52/532318452.db2.gz VMUZDTLHJREVRN-NWDGAFQWSA-N 1 0 397.273 1.104 20 0 GDADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289287394 532320763 /nfs/dbraw/zinc/32/07/63/532320763.db2.gz QTVOCJJVVLFYNL-ZIAGYGMSSA-N 1 0 382.302 1.723 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000289353396 532322415 /nfs/dbraw/zinc/32/24/15/532322415.db2.gz YFNXTGOEWYYTHV-NSHDSACASA-N 1 0 388.281 1.655 20 0 GDADRO C[N@H+](C[C@@H](O)CN1CCNC(=O)[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000289358497 532322452 /nfs/dbraw/zinc/32/24/52/532322452.db2.gz MLFIPBGBPHGTAX-CVEARBPZSA-N 1 0 382.302 1.377 20 0 GDADRO CCS(=O)(=O)CCCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000276410937 532328883 /nfs/dbraw/zinc/32/88/83/532328883.db2.gz MFFJGQQCQZORHK-AWEZNQCLSA-N 1 0 376.544 1.850 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+]CCCn3cc(CO)nn3)cnc12 ZINC000289758853 532331805 /nfs/dbraw/zinc/33/18/05/532331805.db2.gz IBDGJZCFYYJGNV-UHFFFAOYSA-N 1 0 379.262 1.669 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000289848626 532333097 /nfs/dbraw/zinc/33/30/97/532333097.db2.gz FQZUEFKWUWZSEH-CABCVRRESA-N 1 0 385.555 1.586 20 0 GDADRO CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000359995689 209211111 /nfs/dbraw/zinc/21/11/11/209211111.db2.gz PHWKONDAWDVEQW-INIZCTEOSA-N 1 0 390.546 1.625 20 0 GDADRO Cc1nc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)nn1-c1nc[nH]n1 ZINC000359957022 209208206 /nfs/dbraw/zinc/20/82/06/209208206.db2.gz MTNLVJNUNNNDCB-UHFFFAOYSA-N 1 0 398.496 1.803 20 0 GDADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000359959563 209206714 /nfs/dbraw/zinc/20/67/14/209206714.db2.gz MKKLTMSDJXAFGA-RTBURBONSA-N 1 0 395.569 1.153 20 0 GDADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000359867458 209197871 /nfs/dbraw/zinc/19/78/71/209197871.db2.gz JTMXUXVISYAXBE-WMLDXEAASA-N 1 0 376.453 1.669 20 0 GDADRO CNC(=O)CN1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000359874035 209197665 /nfs/dbraw/zinc/19/76/65/209197665.db2.gz MIOXKRXPDGYCDZ-UHFFFAOYSA-N 1 0 377.876 1.686 20 0 GDADRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)CC1(C)C ZINC000359864788 209194860 /nfs/dbraw/zinc/19/48/60/209194860.db2.gz CIUHMHWBHMTAQA-ZBFHGGJFSA-N 1 0 392.496 1.882 20 0 GDADRO CC1CC[NH+](CCCCNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000359941057 209205095 /nfs/dbraw/zinc/20/50/95/209205095.db2.gz JNACPRDCLZYJRB-IBGZPJMESA-N 1 0 394.560 1.779 20 0 GDADRO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000238016376 570419678 /nfs/dbraw/zinc/41/96/78/570419678.db2.gz DYQJRNLUFOMUPR-KDOFPFPSSA-N 1 0 389.496 1.921 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc(-c2nn[nH]n2)cc1OC ZINC000736399508 598825765 /nfs/dbraw/zinc/82/57/65/598825765.db2.gz HXXSYQSTBHQBAZ-OAHLLOKOSA-N 1 0 388.472 1.635 20 0 GDADRO C[C@@H]([NH2+]C1(CNc2nccnc2-c2nn[nH]n2)CCOCC1)c1ccccc1 ZINC000736134967 598831692 /nfs/dbraw/zinc/83/16/92/598831692.db2.gz XDPQDRGHVIXYRH-CQSZACIVSA-N 1 0 380.456 1.969 20 0 GDADRO CCC[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736423244 598835081 /nfs/dbraw/zinc/83/50/81/598835081.db2.gz MPPBLXRWWUTZNV-OAHLLOKOSA-N 1 0 394.545 1.996 20 0 GDADRO COC(=O)[C@@H](C)C[N@H+](Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000736894253 598850955 /nfs/dbraw/zinc/85/09/55/598850955.db2.gz UCRPYELQTISTCW-LBPRGKRZSA-N 1 0 396.455 1.665 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000737525619 598853770 /nfs/dbraw/zinc/85/37/70/598853770.db2.gz VBQXJBWCCBROLT-KBXCAEBGSA-N 1 0 393.499 1.950 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736479825 598871983 /nfs/dbraw/zinc/87/19/83/598871983.db2.gz IVURGQDNDSHOMC-UHFFFAOYSA-N 1 0 382.465 1.406 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736859684 598875193 /nfs/dbraw/zinc/87/51/93/598875193.db2.gz HCPZJHOUHUKWSN-KBPBESRZSA-N 1 0 380.449 1.253 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000738348820 598877557 /nfs/dbraw/zinc/87/75/57/598877557.db2.gz XOWPKJWAMAQCHM-LBPRGKRZSA-N 1 0 396.904 1.627 20 0 GDADRO C[NH+](C)C1(CNC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC000736756802 598877950 /nfs/dbraw/zinc/87/79/50/598877950.db2.gz MBWVZOLEMJQXAT-UHFFFAOYSA-N 1 0 390.513 1.327 20 0 GDADRO OCC[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000738394205 598897676 /nfs/dbraw/zinc/89/76/76/598897676.db2.gz QNSCMYXZOGHNSP-FXAWDEMLSA-N 1 0 395.463 1.588 20 0 GDADRO C[C@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1CCCCCC1 ZINC000735525816 598903838 /nfs/dbraw/zinc/90/38/38/598903838.db2.gz QGPPHNKTTWBDGZ-OAHLLOKOSA-N 1 0 384.488 1.175 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+]1CCCCCC1 ZINC000735526447 598904211 /nfs/dbraw/zinc/90/42/11/598904211.db2.gz WZOTWLVMRBXJGA-INIZCTEOSA-N 1 0 383.500 1.780 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[C@H](C[NH+](C)C)C1 ZINC000735570249 598916238 /nfs/dbraw/zinc/91/62/38/598916238.db2.gz LVTALOHKYWAUSB-VXGBXAGGSA-N 1 0 389.529 1.627 20 0 GDADRO C[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000736016646 598931450 /nfs/dbraw/zinc/93/14/50/598931450.db2.gz BTGPHRLZDBTQKP-GFCCVEGCSA-N 1 0 392.895 1.525 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000737296232 598952819 /nfs/dbraw/zinc/95/28/19/598952819.db2.gz FXKQPQFAHNMKDM-UHFFFAOYSA-N 1 0 390.513 1.814 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000737298903 598953599 /nfs/dbraw/zinc/95/35/99/598953599.db2.gz SRKMGSMMKAEPEI-UHFFFAOYSA-N 1 0 378.502 1.716 20 0 GDADRO CC(C)C(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000735683595 598959088 /nfs/dbraw/zinc/95/90/88/598959088.db2.gz ASRXPGWWYFUUST-KRWDZBQOSA-N 1 0 397.483 1.209 20 0 GDADRO COC(=O)C1CC[NH+](CCCNc2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000736912855 598960005 /nfs/dbraw/zinc/96/00/05/598960005.db2.gz RSNPOVVEWPGIFX-UHFFFAOYSA-N 1 0 396.455 1.497 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](Nc3c4ccccc4nnc3-c3nn[nH]n3)C2)CC1 ZINC000736852109 598968964 /nfs/dbraw/zinc/96/89/64/598968964.db2.gz NLRRFHOJZPOCJF-ZDUSSCGKSA-N 1 0 379.472 1.390 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)CC2)C1 ZINC000736858997 598969004 /nfs/dbraw/zinc/96/90/04/598969004.db2.gz WWASPEHQNSGNLO-CQSZACIVSA-N 1 0 379.472 1.026 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(C2OCCO2)CC1 ZINC000737032809 598984608 /nfs/dbraw/zinc/98/46/08/598984608.db2.gz NVMPZNAXXBLLIP-UHFFFAOYSA-N 1 0 375.429 1.339 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000737031765 598985942 /nfs/dbraw/zinc/98/59/42/598985942.db2.gz HBHALCXYAIECBO-RISCZKNCSA-N 1 0 387.362 1.642 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000737032441 598986241 /nfs/dbraw/zinc/98/62/41/598986241.db2.gz KVFPERYPAGVRRD-CQSZACIVSA-N 1 0 384.444 1.258 20 0 GDADRO C[C@@](CO)([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736024938 599018920 /nfs/dbraw/zinc/01/89/20/599018920.db2.gz CZRTWXVOOAMEPU-LPHOPBHVSA-N 1 0 375.473 1.527 20 0 GDADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736530828 599023260 /nfs/dbraw/zinc/02/32/60/599023260.db2.gz NEAVPIDFSNQBCV-UHFFFAOYSA-N 1 0 395.467 1.912 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000736237651 599028779 /nfs/dbraw/zinc/02/87/79/599028779.db2.gz RVZACYAQGBGVTE-OKILXGFUSA-N 1 0 387.463 1.527 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736857390 599034225 /nfs/dbraw/zinc/03/42/25/599034225.db2.gz NFGNQNFHIAFUFB-CRAIPNDOSA-N 1 0 383.500 1.636 20 0 GDADRO C[N@H+](CCCO)C1CCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736796871 599078199 /nfs/dbraw/zinc/07/81/99/599078199.db2.gz CNIFCWTYYJRKOX-UHFFFAOYSA-N 1 0 393.517 1.035 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000820907097 599087196 /nfs/dbraw/zinc/08/71/96/599087196.db2.gz BDWLIJDMINPKFJ-AWEZNQCLSA-N 1 0 385.447 1.755 20 0 GDADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736225812 599101455 /nfs/dbraw/zinc/10/14/55/599101455.db2.gz DVJJMZVULVSLHA-CMPLNLGQSA-N 1 0 391.863 1.400 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000737488507 599107158 /nfs/dbraw/zinc/10/71/58/599107158.db2.gz WHQQHRZIXVTQFP-SMDDNHRTSA-N 1 0 397.487 1.058 20 0 GDADRO CC(C)[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735860635 599129635 /nfs/dbraw/zinc/12/96/35/599129635.db2.gz KLKLXSYGONMPJB-UHFFFAOYSA-N 1 0 397.483 1.942 20 0 GDADRO COCc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)no1 ZINC000821695241 599147251 /nfs/dbraw/zinc/14/72/51/599147251.db2.gz PADJSGULOMZKIB-UHFFFAOYSA-N 1 0 385.428 1.205 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1ccc(-c3cccnc3)cc1)C2 ZINC000823816046 599159752 /nfs/dbraw/zinc/15/97/52/599159752.db2.gz OOIIRUAIAICCMH-OAHLLOKOSA-N 1 0 387.451 1.957 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1ccc(-c3cccnc3)cc1)C2 ZINC000823816044 599159789 /nfs/dbraw/zinc/15/97/89/599159789.db2.gz OOIIRUAIAICCMH-HNNXBMFYSA-N 1 0 387.451 1.957 20 0 GDADRO CCOCC[N@@H+]1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)C[C@@H]1CC ZINC000736620642 599201904 /nfs/dbraw/zinc/20/19/04/599201904.db2.gz YFIPHXGCSYJYLB-FVNWOWOISA-N 1 0 384.484 1.839 20 0 GDADRO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736757808 599213769 /nfs/dbraw/zinc/21/37/69/599213769.db2.gz DNEHTZBJUMTVMF-GOSISDBHSA-N 1 0 380.452 1.535 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1C ZINC000821065642 607276632 /nfs/dbraw/zinc/27/66/32/607276632.db2.gz LGDGOHJONOJION-OAHLLOKOSA-N 1 0 399.499 1.884 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cccc1-c1nn[nH]n1 ZINC000822043198 607273700 /nfs/dbraw/zinc/27/37/00/607273700.db2.gz CCOULJLJFBODGE-CQSZACIVSA-N 1 0 383.456 1.200 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822043430 607274386 /nfs/dbraw/zinc/27/43/86/607274386.db2.gz DRIMSWYBQBIDPI-CHWSQXEVSA-N 1 0 385.472 1.350 20 0 GDADRO O=C(C[NH2+]C1(C(=O)[O-])CCCC1)NCc1ccccc1CN1CCOCC1 ZINC000533202502 597317856 /nfs/dbraw/zinc/31/78/56/597317856.db2.gz DPLUBZFZLPUMKW-UHFFFAOYSA-N 1 0 375.469 1.122 20 0 GDADRO C[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1)C[NH+]1CCCC1 ZINC000820261682 607299496 /nfs/dbraw/zinc/29/94/96/607299496.db2.gz 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377.452 1.904 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)cn1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000738261671 598462959 /nfs/dbraw/zinc/46/29/59/598462959.db2.gz SSSQUDJZRTZYER-UHFFFAOYSA-N 1 0 389.463 1.925 20 0 GDADRO COC1CC[NH+](C(C)(C)CNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736961519 598466419 /nfs/dbraw/zinc/46/64/19/598466419.db2.gz KPCHSHYPJCNFQH-UHFFFAOYSA-N 1 0 387.488 1.284 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000738066530 598476835 /nfs/dbraw/zinc/47/68/35/598476835.db2.gz PRADCHOOSRLCLZ-UHFFFAOYSA-N 1 0 399.503 1.016 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736855376 598516291 /nfs/dbraw/zinc/51/62/91/598516291.db2.gz GIBJUSKNNBMKGO-KRWDZBQOSA-N 1 0 398.515 1.036 20 0 GDADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735488388 598519644 /nfs/dbraw/zinc/51/96/44/598519644.db2.gz LLGYRDKERDLPCN-DGCLKSJQSA-N 1 0 381.444 1.414 20 0 GDADRO FC(F)(F)Oc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737626854 598520796 /nfs/dbraw/zinc/52/07/96/598520796.db2.gz MXLABSNHWAPNDH-LLVKDONJSA-N 1 0 394.361 1.793 20 0 GDADRO CC(C)[N@@H+]1CCCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000735882734 598523467 /nfs/dbraw/zinc/52/34/67/598523467.db2.gz SHTYKHQLKKJBCW-UHFFFAOYSA-N 1 0 377.880 1.875 20 0 GDADRO Cc1ccc(OCCCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737366516 598523806 /nfs/dbraw/zinc/52/38/06/598523806.db2.gz QSASDMNPGMBFLX-OAHLLOKOSA-N 1 0 382.472 1.862 20 0 GDADRO CC(C)(C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)OCO2 ZINC000735670245 598527277 /nfs/dbraw/zinc/52/72/77/598527277.db2.gz KGVAYRHNCMFXKF-LBPRGKRZSA-N 1 0 396.455 1.401 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)C2 ZINC000738426609 598528459 /nfs/dbraw/zinc/52/84/59/598528459.db2.gz SNQAXYKQJSLNFY-XYPHTWIQSA-N 1 0 380.456 1.615 20 0 GDADRO O=C(CCN1CCC[C@H]1C[NH+]1CCCC1)Nc1sccc1-c1nn[nH]n1 ZINC000737844379 598539890 /nfs/dbraw/zinc/53/98/90/598539890.db2.gz SXAKZFDHYPNGNK-ZDUSSCGKSA-N 1 0 375.502 1.817 20 0 GDADRO C[NH+]1CCC(NC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000736857749 598556140 /nfs/dbraw/zinc/55/61/40/598556140.db2.gz UCFXQNGJMDRPAV-UHFFFAOYSA-N 1 0 382.424 1.863 20 0 GDADRO c1ccn2c(c1)nc(NCC1([NH+]3CCOCC3)CCCCC1)c2-c1nn[nH]n1 ZINC000738445737 598567392 /nfs/dbraw/zinc/56/73/92/598567392.db2.gz MFHXRXDXBPNOOJ-UHFFFAOYSA-N 1 0 382.472 1.961 20 0 GDADRO O[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2ccccc2c1 ZINC000738381962 598568889 /nfs/dbraw/zinc/56/88/89/598568889.db2.gz OGOUDMBKHFEHMA-ACJLOTCBSA-N 1 0 390.451 1.581 20 0 GDADRO O[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2ccccc2c1 ZINC000738381966 598569336 /nfs/dbraw/zinc/56/93/36/598569336.db2.gz OGOUDMBKHFEHMA-FZKQIMNGSA-N 1 0 390.451 1.581 20 0 GDADRO O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000737791396 598581078 /nfs/dbraw/zinc/58/10/78/598581078.db2.gz KEAUKIFLLRNUNW-LJQANCHMSA-N 1 0 395.511 1.922 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCC1 ZINC000736009415 598595072 /nfs/dbraw/zinc/59/50/72/598595072.db2.gz ZWUSHAWTLIEXGT-CRAIPNDOSA-N 1 0 383.500 1.826 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738034068 598595314 /nfs/dbraw/zinc/59/53/14/598595314.db2.gz FJMDJWRNFDALLG-SQNIBIBYSA-N 1 0 381.484 1.579 20 0 GDADRO c1c(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c(-c2nn[nH]n2)c2ccccn12 ZINC000738445982 598622471 /nfs/dbraw/zinc/62/24/71/598622471.db2.gz QMJYKFIVTXMQTL-KRWDZBQOSA-N 1 0 381.484 1.806 20 0 GDADRO Cc1nn(C)c(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1-c1nn[nH]n1 ZINC000737510605 598631632 /nfs/dbraw/zinc/63/16/32/598631632.db2.gz FIPWSUPXZUALTD-UHFFFAOYSA-N 1 0 380.456 1.166 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736014131 598666291 /nfs/dbraw/zinc/66/62/91/598666291.db2.gz LBJFXJLFQCIHMD-HNNXBMFYSA-N 1 0 380.452 1.882 20 0 GDADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)NCCCC[NH+]1CCOCC1 ZINC000737941282 598666747 /nfs/dbraw/zinc/66/67/47/598666747.db2.gz KLOVYYJKSGUGSA-UHFFFAOYSA-N 1 0 376.486 1.187 20 0 GDADRO CC[N@H+](C)[C@@H](C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1)c1ccccc1 ZINC000736510071 598699004 /nfs/dbraw/zinc/69/90/04/598699004.db2.gz QHTIQUWFVLVILJ-QGZVFWFLSA-N 1 0 380.456 1.483 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735888582 598700014 /nfs/dbraw/zinc/70/00/14/598700014.db2.gz NDHSNYYNXPFOLT-AEFFLSMTSA-N 1 0 383.500 1.825 20 0 GDADRO Cc1cnn(CCCCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000737448806 598700810 /nfs/dbraw/zinc/70/08/10/598700810.db2.gz PURWIBCFLMDYQD-UHFFFAOYSA-N 1 0 381.488 1.759 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@H]1CN1CCCC1=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737844984 598706591 /nfs/dbraw/zinc/70/65/91/598706591.db2.gz XIRYBBXKRWZOAA-HNNXBMFYSA-N 1 0 397.483 1.672 20 0 GDADRO c1ccc(C[C@H](CN2CCOCC2)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000738428960 598714881 /nfs/dbraw/zinc/71/48/81/598714881.db2.gz QJRLHNUANPGKLI-HXUWFJFHSA-N 1 0 378.480 1.900 20 0 GDADRO O=C(NCCCCC[NH+]1CCCCC1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000738054750 598734722 /nfs/dbraw/zinc/73/47/22/598734722.db2.gz HHLXWVSXSFWYGO-UHFFFAOYSA-N 1 0 385.472 1.578 20 0 GDADRO O=C(CC[NH+]1CCC(CO)CC1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737837359 598759551 /nfs/dbraw/zinc/75/95/51/598759551.db2.gz FUFCYVYZEFDERK-UHFFFAOYSA-N 1 0 376.486 1.450 20 0 GDADRO CCn1cnnc1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736723719 598763465 /nfs/dbraw/zinc/76/34/65/598763465.db2.gz ZNGXMAXSWQMQHO-CQSZACIVSA-N 1 0 395.471 1.686 20 0 GDADRO Cc1nc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)no1 ZINC000737471915 598764101 /nfs/dbraw/zinc/76/41/01/598764101.db2.gz PKLYDCXROWXEHP-AWEZNQCLSA-N 1 0 396.455 1.841 20 0 GDADRO CCNC(=O)CCCC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736574618 598765736 /nfs/dbraw/zinc/76/57/36/598765736.db2.gz SINACKBNFFXIHU-UHFFFAOYSA-N 1 0 387.488 1.063 20 0 GDADRO C[NH+](C)CCCNC(=S)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736767125 598789090 /nfs/dbraw/zinc/78/90/90/598789090.db2.gz LTOZAUIDFJOBSC-UHFFFAOYSA-N 1 0 389.529 1.536 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738316553 598799510 /nfs/dbraw/zinc/79/95/10/598799510.db2.gz FMLAHBPDPUGRPQ-UHFFFAOYSA-N 1 0 386.428 1.221 20 0 GDADRO Cc1cnn(CCCCC[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1 ZINC000737448696 598813192 /nfs/dbraw/zinc/81/31/92/598813192.db2.gz NTXJGAQSZZCCOP-UHFFFAOYSA-N 1 0 381.488 1.759 20 0 GDADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736408861 599300962 /nfs/dbraw/zinc/30/09/62/599300962.db2.gz KLJDICBNDKLZQJ-COXVUDFISA-N 1 0 399.499 1.266 20 0 GDADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000738390737 599321017 /nfs/dbraw/zinc/32/10/17/599321017.db2.gz SEEJHWJIRUALNM-LSDHHAIUSA-N 1 0 382.390 1.921 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000821255065 599347275 /nfs/dbraw/zinc/34/72/75/599347275.db2.gz SWNAMUCPRGEETR-NHYWBVRUSA-N 1 0 398.920 1.871 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823567313 599361063 /nfs/dbraw/zinc/36/10/63/599361063.db2.gz PTSKVKKIWVTNHQ-INIZCTEOSA-N 1 0 390.513 1.504 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822266566 599365636 /nfs/dbraw/zinc/36/56/36/599365636.db2.gz CPVYLZULARGEJD-AWEZNQCLSA-N 1 0 386.481 1.804 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000821614359 599369672 /nfs/dbraw/zinc/36/96/72/599369672.db2.gz BSPFHECBRWLNPE-OAHLLOKOSA-N 1 0 399.480 1.157 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821160484 599376740 /nfs/dbraw/zinc/37/67/40/599376740.db2.gz LOPAMPFUOWQMLP-LLVKDONJSA-N 1 0 384.893 1.482 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CC[NH+](CC2CCOCC2)CC1 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Cc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)c1-c1nn[nH]n1 ZINC000822319433 599606078 /nfs/dbraw/zinc/60/60/78/599606078.db2.gz RPMUDZFZCVFQLT-UHFFFAOYSA-N 1 0 399.499 1.886 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000820656210 599610072 /nfs/dbraw/zinc/61/00/72/599610072.db2.gz DVXMMMWAAGZOOW-MWLCHTKSSA-N 1 0 377.836 1.058 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000736633441 599614779 /nfs/dbraw/zinc/61/47/79/599614779.db2.gz AXMGBXVAUTVIER-ZDUSSCGKSA-N 1 0 375.433 1.108 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)C1 ZINC000821088407 599615730 /nfs/dbraw/zinc/61/57/30/599615730.db2.gz MKZLPZNHARRZED-CQSZACIVSA-N 1 0 385.472 1.304 20 0 GDADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000820972093 599646531 /nfs/dbraw/zinc/64/65/31/599646531.db2.gz KSYQYWSRKJSTSL-CZUORRHYSA-N 1 0 383.456 1.709 20 0 GDADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1cc(-c2nn[nH]n2)ccc1F 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VYPFJVGCKGWPDA-AAEUAGOBSA-N 1 0 375.864 1.627 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000736882798 600512652 /nfs/dbraw/zinc/51/26/52/600512652.db2.gz JDPFKPJKAPONPQ-MRXNPFEDSA-N 1 0 391.516 1.745 20 0 GDADRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826398797 607461873 /nfs/dbraw/zinc/46/18/73/607461873.db2.gz GBKCGWPYRDWXIU-LJQANCHMSA-N 1 0 395.511 1.922 20 0 GDADRO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000825977471 600824501 /nfs/dbraw/zinc/82/45/01/600824501.db2.gz ICTASHUTMAFSGY-INIZCTEOSA-N 1 0 381.517 1.275 20 0 GDADRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824377262 607472748 /nfs/dbraw/zinc/47/27/48/607472748.db2.gz AIADPDVOPNYPDG-CFLQYTFWSA-N 1 0 395.463 1.930 20 0 GDADRO CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825154299 607473269 /nfs/dbraw/zinc/47/32/69/607473269.db2.gz NHOMIJJOICCSQZ-OALUTQOASA-N 1 0 397.479 1.880 20 0 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601755530 /nfs/dbraw/zinc/75/55/30/601755530.db2.gz QIIYPVYSWOCTMU-CRAIPNDOSA-N 1 0 389.500 1.307 20 0 GDADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](CNC(=O)[O-])C2)CC1 ZINC000740185854 601937986 /nfs/dbraw/zinc/93/79/86/601937986.db2.gz XEHJSNQIXRRSQH-QGZVFWFLSA-N 1 0 388.512 1.665 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000826334601 607538072 /nfs/dbraw/zinc/53/80/72/607538072.db2.gz BGGOKXYPTNAJNV-IAGOWNOFSA-N 1 0 380.456 1.750 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1-c1nn[nH]n1 ZINC000826301640 607550634 /nfs/dbraw/zinc/55/06/34/607550634.db2.gz LEPIXDQUBFPBHW-KGLIPLIRSA-N 1 0 376.486 1.280 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)C[C@H]1C ZINC000825452520 607548280 /nfs/dbraw/zinc/54/82/80/607548280.db2.gz PTZHWFWZOWXOAJ-KGLIPLIRSA-N 1 0 378.502 1.668 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826490820 607580932 /nfs/dbraw/zinc/58/09/32/607580932.db2.gz ISAOKGBTUOBXRY-UHFFFAOYSA-N 1 0 384.893 1.674 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000824875142 607590246 /nfs/dbraw/zinc/59/02/46/607590246.db2.gz IOURNQMDFARBFN-STQMWFEESA-N 1 0 396.492 1.652 20 0 GDADRO O=C([O-])N1CCC[C@H](C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000740516182 603274398 /nfs/dbraw/zinc/27/43/98/603274398.db2.gz LXDDHBOEGSWQHQ-QGZVFWFLSA-N 1 0 376.505 1.358 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825220149 607624170 /nfs/dbraw/zinc/62/41/70/607624170.db2.gz PTSBDLFKQGJIFK-GJZGRUSLSA-N 1 0 385.472 1.644 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000826301929 607640094 /nfs/dbraw/zinc/64/00/94/607640094.db2.gz VDKSOVPDQWHICX-AWEZNQCLSA-N 1 0 376.486 1.282 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000529325626 649940358 /nfs/dbraw/zinc/94/03/58/649940358.db2.gz RUBHIHNAVBNRSK-QMTHXVAHSA-N 1 0 387.267 1.386 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1cccc(-c3ccccn3)c1)C2 ZINC000826519202 607706708 /nfs/dbraw/zinc/70/67/08/607706708.db2.gz OITJZUQVNNUMRI-OAHLLOKOSA-N 1 0 387.451 1.957 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000826247477 607710716 /nfs/dbraw/zinc/71/07/16/607710716.db2.gz DXQZUZZKXAMDQT-ROUUACIJSA-N 1 0 384.484 1.673 20 0 GDADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]C1CC[NH+](CC(=O)[O-])CC1 ZINC000833633383 605225864 /nfs/dbraw/zinc/22/58/64/605225864.db2.gz FWGKCWGTLPRCJB-DZGCQCFKSA-N 1 0 385.505 1.886 20 0 GDADRO O=C([O-])CCC[NH+]1CCC([NH2+]CCCN2C(=O)COc3ccccc32)CC1 ZINC000833772798 605227897 /nfs/dbraw/zinc/22/78/97/605227897.db2.gz AUGGWGSZEASSKI-UHFFFAOYSA-N 1 0 375.469 1.721 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNCc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825856227 607753652 /nfs/dbraw/zinc/75/36/52/607753652.db2.gz SAPLSIKBUCNXDW-OAQYLSRUSA-N 1 0 396.495 1.848 20 0 GDADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC1 ZINC000833698003 605554212 /nfs/dbraw/zinc/55/42/12/605554212.db2.gz URQGPGNAHVJAGH-UHFFFAOYSA-N 1 0 375.473 1.063 20 0 GDADRO C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000821615873 606085496 /nfs/dbraw/zinc/08/54/96/606085496.db2.gz SFELKDCGZCMFJS-GOEBONIOSA-N 1 0 388.497 1.907 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821088696 606093523 /nfs/dbraw/zinc/09/35/23/606093523.db2.gz SUZOPXMXQGFRFD-CRAIPNDOSA-N 1 0 383.500 1.636 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc2n[nH]cc2c1 ZINC000821586168 606107624 /nfs/dbraw/zinc/10/76/24/606107624.db2.gz MQDUJORCMODIFB-UHFFFAOYSA-N 1 0 390.451 1.947 20 0 GDADRO C[N@H+](CCOc1ccccc1F)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821604812 606130773 /nfs/dbraw/zinc/13/07/73/606130773.db2.gz HWHYEIALYNZOBN-HNNXBMFYSA-N 1 0 387.415 1.756 20 0 GDADRO Oc1cccc(N2CC[NH+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823733538 606131779 /nfs/dbraw/zinc/13/17/79/606131779.db2.gz XYGBZPJQCQCYMI-SFHVURJKSA-N 1 0 396.451 1.134 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000821762877 606152431 /nfs/dbraw/zinc/15/24/31/606152431.db2.gz RNVHBJFUFCNKIN-ZDUSSCGKSA-N 1 0 387.444 1.061 20 0 GDADRO O=C(CCN1CC[NH+](C2CCOCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000822969151 606160187 /nfs/dbraw/zinc/16/01/87/606160187.db2.gz IGUIZXKHWNCGRD-UHFFFAOYSA-N 1 0 391.501 1.053 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000821579721 606162714 /nfs/dbraw/zinc/16/27/14/606162714.db2.gz LSBTUUKYGMGZPW-ZDUSSCGKSA-N 1 0 389.851 1.678 20 0 GDADRO Cn1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821586093 606185454 /nfs/dbraw/zinc/18/54/54/606185454.db2.gz JMDFSTZGESKGNL-UHFFFAOYSA-N 1 0 382.472 1.479 20 0 GDADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000821622103 606200168 /nfs/dbraw/zinc/20/01/68/606200168.db2.gz RWPGVPJPWQDXQJ-UHFFFAOYSA-N 1 0 384.532 1.894 20 0 GDADRO CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000819921816 606204898 /nfs/dbraw/zinc/20/48/98/606204898.db2.gz AVENRVZDCJRONV-UHFFFAOYSA-N 1 0 375.477 1.176 20 0 GDADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1cc(-c2nn[nH]n2)cs1)C(F)(F)F ZINC000822693617 606213942 /nfs/dbraw/zinc/21/39/42/606213942.db2.gz HMJMOFKMMMCDJV-CYBMUJFWSA-N 1 0 387.391 1.592 20 0 GDADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000822275886 606216787 /nfs/dbraw/zinc/21/67/87/606216787.db2.gz ZGWRBUIOFQLYTC-DOTOQJQBSA-N 1 0 377.452 1.962 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000820903384 606238838 /nfs/dbraw/zinc/23/88/38/606238838.db2.gz SZYWQKPWQOOZGH-LLVKDONJSA-N 1 0 384.893 1.673 20 0 GDADRO CC[C@@H](C)C[N@H+](CC)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000820868995 606239660 /nfs/dbraw/zinc/23/96/60/606239660.db2.gz DPZGJZCFAKVWBS-CQSZACIVSA-N 1 0 385.472 1.956 20 0 GDADRO COc1cccc([C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[NH+]2CCCC2)c1 ZINC000821859637 606245213 /nfs/dbraw/zinc/24/52/13/606245213.db2.gz RMOULZFQPMGTRC-QGZVFWFLSA-N 1 0 381.440 1.770 20 0 GDADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820760042 606261357 /nfs/dbraw/zinc/26/13/57/606261357.db2.gz PBRGJLUXKONXRJ-WMLDXEAASA-N 1 0 379.468 1.846 20 0 GDADRO CC1(C)C[N@@H+](C2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCCCC2)CCO1 ZINC000820601960 606272471 /nfs/dbraw/zinc/27/24/71/606272471.db2.gz WNVWMYNCIZRGRH-UHFFFAOYSA-N 1 0 387.488 1.738 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821088735 606330208 /nfs/dbraw/zinc/33/02/08/606330208.db2.gz UOEPTMPCCIWWHD-DZGCQCFKSA-N 1 0 389.529 1.697 20 0 GDADRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000819984256 606337164 /nfs/dbraw/zinc/33/71/64/606337164.db2.gz SMUKQVICFRUDGO-UHFFFAOYSA-N 1 0 386.460 1.907 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000821252674 606384154 /nfs/dbraw/zinc/38/41/54/606384154.db2.gz AWHNZWPVRPKHIP-GDBMZVCRSA-N 1 0 387.488 1.760 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCCSC1 ZINC000821586175 606384420 /nfs/dbraw/zinc/38/44/20/606384420.db2.gz MUCUVQKQOCXUKF-MRXNPFEDSA-N 1 0 389.529 1.836 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000821579925 606393195 /nfs/dbraw/zinc/39/31/95/606393195.db2.gz SHBCXNPSJSCRPN-MRXNPFEDSA-N 1 0 397.414 1.363 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CCCCC1 ZINC000821581126 606393375 /nfs/dbraw/zinc/39/33/75/606393375.db2.gz DAGUUNITULLVND-UHFFFAOYSA-N 1 0 389.435 1.325 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](C)C1 ZINC000820709031 606394746 /nfs/dbraw/zinc/39/47/46/606394746.db2.gz CDLARKHEPXKEMV-RYUDHWBXSA-N 1 0 389.435 1.181 20 0 GDADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC000820021821 606395983 /nfs/dbraw/zinc/39/59/83/606395983.db2.gz ZCFSGCLATOURPW-HNNXBMFYSA-N 1 0 389.435 1.181 20 0 GDADRO C[C@@]1(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)NC(=O)NC1=O ZINC000820628880 606414426 /nfs/dbraw/zinc/41/44/26/606414426.db2.gz PQBQJOBHNCAGGA-KRWDZBQOSA-N 1 0 383.437 1.273 20 0 GDADRO c1cc(-c2nn[nH]n2)sc1C[NH2+][C@H](Cc1ccccc1)CN1CCOCC1 ZINC000823779721 606419142 /nfs/dbraw/zinc/41/91/42/606419142.db2.gz HQFDHOXTMMAKAD-MRXNPFEDSA-N 1 0 384.509 1.961 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](C)C1 ZINC000820768312 606423529 /nfs/dbraw/zinc/42/35/29/606423529.db2.gz MMGQURFBSQHHNO-DGCLKSJQSA-N 1 0 384.531 1.466 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820420094 606473249 /nfs/dbraw/zinc/47/32/49/606473249.db2.gz MJDVGUDIBIMQJL-APNQJHFZSA-N 1 0 380.456 1.648 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000821628207 606495123 /nfs/dbraw/zinc/49/51/23/606495123.db2.gz CEGBPRCHQNOXJE-UHFFFAOYSA-N 1 0 377.452 1.800 20 0 GDADRO C[NH+]1CCN(c2ccccc2NC(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821628746 606495191 /nfs/dbraw/zinc/49/51/91/606495191.db2.gz PCZPGAVMKFKWMM-UHFFFAOYSA-N 1 0 377.452 1.800 20 0 GDADRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)s3)cn2)CC1 ZINC000821628891 606521789 /nfs/dbraw/zinc/52/17/89/606521789.db2.gz TYPYYYOCOMJFCP-UHFFFAOYSA-N 1 0 384.469 1.005 20 0 GDADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000823087045 606542045 /nfs/dbraw/zinc/54/20/45/606542045.db2.gz DNLGZQRCSSEFKY-UHFFFAOYSA-N 1 0 384.484 1.370 20 0 GDADRO COC(=O)CCC1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821660020 606612602 /nfs/dbraw/zinc/61/26/02/606612602.db2.gz CVFGLDFBMNNSPQ-INIZCTEOSA-N 1 0 389.456 1.272 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)C[C@H]1CCOC1 ZINC000819877039 606621025 /nfs/dbraw/zinc/62/10/25/606621025.db2.gz NOAIUCTWOKIZPX-WDEREUQCSA-N 1 0 376.486 1.712 20 0 GDADRO C[C@@H]1C[N@@H+](CCCCNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000820759781 606641466 /nfs/dbraw/zinc/64/14/66/606641466.db2.gz NQWIHYNJKSIWBH-GASCZTMLSA-N 1 0 387.488 1.284 20 0 GDADRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000820121929 606645996 /nfs/dbraw/zinc/64/59/96/606645996.db2.gz WCKBDWHCHIIVJX-INIZCTEOSA-N 1 0 392.529 1.749 20 0 GDADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000821243131 606678891 /nfs/dbraw/zinc/67/88/91/606678891.db2.gz ZFFOPLMLLIQRBI-NVXWUHKLSA-N 1 0 398.515 1.429 20 0 GDADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000820536705 606692260 /nfs/dbraw/zinc/69/22/60/606692260.db2.gz WXGDEVNDHIZXJN-CQSZACIVSA-N 1 0 384.440 1.817 20 0 GDADRO CCc1ccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1 ZINC000821486322 606699983 /nfs/dbraw/zinc/69/99/83/606699983.db2.gz CPCKKDVQIBDWJO-UHFFFAOYSA-N 1 0 383.460 1.238 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)NC1CCCCCCC1 ZINC000821600241 606700412 /nfs/dbraw/zinc/70/04/12/606700412.db2.gz DLDZFTFOPAXNBW-UHFFFAOYSA-N 1 0 389.508 1.266 20 0 GDADRO Cc1ccccc1CN(C)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000822356632 606703166 /nfs/dbraw/zinc/70/31/66/606703166.db2.gz WZQKSLFISLCGJG-UHFFFAOYSA-N 1 0 397.487 1.003 20 0 GDADRO COCCOc1cc(C)ccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821692794 606729533 /nfs/dbraw/zinc/72/95/33/606729533.db2.gz CGHDDWNLSGIBTJ-AWEZNQCLSA-N 1 0 398.471 1.228 20 0 GDADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl)[NH+](C)C ZINC000820055001 606734417 /nfs/dbraw/zinc/73/44/17/606734417.db2.gz FOXYFGQWFXBWNE-GFCCVEGCSA-N 1 0 393.879 1.551 20 0 GDADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000821586310 606736989 /nfs/dbraw/zinc/73/69/89/606736989.db2.gz SDTPWQJNYSKDDU-UHFFFAOYSA-N 1 0 382.465 1.501 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000822505272 606769955 /nfs/dbraw/zinc/76/99/55/606769955.db2.gz GBSIOJFAHZCMPZ-SJORKVTESA-N 1 0 380.456 1.892 20 0 GDADRO Cc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000822258877 606772590 /nfs/dbraw/zinc/77/25/90/606772590.db2.gz GDBZCDAGFPRISX-NSHDSACASA-N 1 0 390.398 1.805 20 0 GDADRO CCn1cnnc1C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000821566440 606814410 /nfs/dbraw/zinc/81/44/10/606814410.db2.gz DJCDSTLAKSNKJY-UHFFFAOYSA-N 1 0 395.471 1.686 20 0 GDADRO O=C(CC[N@@H+]1CC[C@H](Oc2cccnc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822964604 606814933 /nfs/dbraw/zinc/81/49/33/606814933.db2.gz LOKNBRSPLYSDND-HNNXBMFYSA-N 1 0 379.424 1.744 20 0 GDADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000820752923 606824107 /nfs/dbraw/zinc/82/41/07/606824107.db2.gz UGDLYPQEUMOEFP-BLLLJJGKSA-N 1 0 395.471 1.093 20 0 GDADRO O[C@@H](CN1CC[NH+](CCc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682967 606850038 /nfs/dbraw/zinc/85/00/38/606850038.db2.gz WOOFSMUYDLFYQX-FQEVSTJZSA-N 1 0 378.480 1.760 20 0 GDADRO O[C@@H](C[NH2+]CCCN1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681741 606853473 /nfs/dbraw/zinc/85/34/73/606853473.db2.gz JYWXJTPYAOWKLA-FQEVSTJZSA-N 1 0 378.480 1.938 20 0 GDADRO O=C(CC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)N1CCCC1 ZINC000822946111 606854726 /nfs/dbraw/zinc/85/47/26/606854726.db2.gz VJEPZELRVJGJRE-SFHVURJKSA-N 1 0 384.484 1.625 20 0 GDADRO Cc1ccc(N2CCC[C@@H]([N@H+](C)C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC000822241055 606860114 /nfs/dbraw/zinc/86/01/14/606860114.db2.gz JTHAUTKVTHGXTR-MSOLQXFVSA-N 1 0 394.483 1.599 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000820752045 606883986 /nfs/dbraw/zinc/88/39/86/606883986.db2.gz JVGJAFQDGSHYLP-LKFCYVNXSA-N 1 0 389.847 1.058 20 0 GDADRO O=C(NC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccsc1 ZINC000823149678 606888694 /nfs/dbraw/zinc/88/86/94/606888694.db2.gz GHWWZRDALNCVLG-QGZVFWFLSA-N 1 0 398.492 1.856 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821159490 606893519 /nfs/dbraw/zinc/89/35/19/606893519.db2.gz CFZLDJBMDNACFE-JTQLQIEISA-N 1 0 386.428 1.107 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000822649659 606918102 /nfs/dbraw/zinc/91/81/02/606918102.db2.gz HJWPPXPDJPCJGC-UHFFFAOYSA-N 1 0 395.467 1.662 20 0 GDADRO O=C1CN(C[N@@H+]2CCC3(CCC3)C2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000823535881 606921527 /nfs/dbraw/zinc/92/15/27/606921527.db2.gz LBASTAZWBQINHH-UHFFFAOYSA-N 1 0 381.440 1.464 20 0 GDADRO Cc1noc(CCC[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000822527912 606923206 /nfs/dbraw/zinc/92/32/06/606923206.db2.gz KDDSJDROHDITOC-UHFFFAOYSA-N 1 0 396.455 1.841 20 0 GDADRO C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000821600470 606928563 /nfs/dbraw/zinc/92/85/63/606928563.db2.gz NVBXJZUVKLTSRV-IRXDYDNUSA-N 1 0 393.513 1.923 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000823246099 607151736 /nfs/dbraw/zinc/15/17/36/607151736.db2.gz BNBFUKXPLSWEGO-ROUUACIJSA-N 1 0 399.499 1.434 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[N@H+](C)C1CC1 ZINC000820262104 607181531 /nfs/dbraw/zinc/18/15/31/607181531.db2.gz RYWLGZVKXTXSIL-SECBINFHSA-N 1 0 377.836 1.058 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821581838 607183241 /nfs/dbraw/zinc/18/32/41/607183241.db2.gz VXVVUPLMENQNIP-NSHDSACASA-N 1 0 377.836 1.011 20 0 GDADRO COCC[NH+]1CCC(NC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000821690328 607202896 /nfs/dbraw/zinc/20/28/96/607202896.db2.gz GAUMMCWYZLIPLN-UHFFFAOYSA-N 1 0 379.852 1.752 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H]1COc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485129 607814728 /nfs/dbraw/zinc/81/47/28/607814728.db2.gz DHDVIVRHERNPON-CQSZACIVSA-N 1 0 399.476 1.481 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(CCS(=O)(=O)c3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000826034904 607816350 /nfs/dbraw/zinc/81/63/50/607816350.db2.gz YQSJCHDIHPNYGP-WBVHZDCISA-N 1 0 390.513 1.057 20 0 GDADRO Clc1ccc(COCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000826352171 607820284 /nfs/dbraw/zinc/82/02/84/607820284.db2.gz QLWMOXCITQONGY-CYBMUJFWSA-N 1 0 388.863 1.565 20 0 GDADRO CC[N@@H+]1CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H]1C ZINC000825458697 607831860 /nfs/dbraw/zinc/83/18/60/607831860.db2.gz DIUFYSPHJWVHKH-NWDGAFQWSA-N 1 0 389.529 1.770 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(-n2ccnn2)cc1 ZINC000824585054 607911243 /nfs/dbraw/zinc/91/12/43/607911243.db2.gz MROCCASRGWNXEN-QWHCGFSZSA-N 1 0 391.443 1.036 20 0 GDADRO CC[C@@H](C(=O)OCc1cccc(C(=O)OC)c1-c1nn[nH]n1)[NH+](CC)CC ZINC000825039774 607914159 /nfs/dbraw/zinc/91/41/59/607914159.db2.gz WCPHQHGJZVJKIY-AWEZNQCLSA-N 1 0 375.429 1.817 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826299224 607928869 /nfs/dbraw/zinc/92/88/69/607928869.db2.gz WFMXXYCRZHEPRO-OAHLLOKOSA-N 1 0 397.483 1.304 20 0 GDADRO CC(C)C[C@H](Nc1ccc(Cl)c(-c2nn[nH]n2)n1)C(=O)NCC[NH+](C)C ZINC000824276038 607966941 /nfs/dbraw/zinc/96/69/41/607966941.db2.gz 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C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)cc(OC)c2O)c1-c1nn[nH]n1 ZINC000826077333 608021317 /nfs/dbraw/zinc/02/13/17/608021317.db2.gz DKEWXYZUIQGUDT-UHFFFAOYSA-N 1 0 386.416 1.017 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000826077166 608021704 /nfs/dbraw/zinc/02/17/04/608021704.db2.gz BWXDEKPNHJKASR-OLZOCXBDSA-N 1 0 384.419 1.623 20 0 GDADRO COCCO[C@@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000826160154 608038826 /nfs/dbraw/zinc/03/88/26/608038826.db2.gz HLRBNYDNDNKARW-OAHLLOKOSA-N 1 0 377.445 1.382 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cc(-c4nn[nH]n4)cs3)CC2)CC1 ZINC000824300650 608040973 /nfs/dbraw/zinc/04/09/73/608040973.db2.gz INGRTWOMKGGPHO-UHFFFAOYSA-N 1 0 389.529 1.559 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825069040 608062616 /nfs/dbraw/zinc/06/26/16/608062616.db2.gz XHJWHPBWADRGKQ-PBHICJAKSA-N 1 0 387.488 1.680 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC000824977820 608065389 /nfs/dbraw/zinc/06/53/89/608065389.db2.gz SIYGQWPMXDLDCQ-OLMNPRSZSA-N 1 0 399.499 1.678 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nn[nH]n2)s1 ZINC000826431424 608075807 /nfs/dbraw/zinc/07/58/07/608075807.db2.gz AMLDWJDEFJRJQT-HUUCEWRRSA-N 1 0 398.492 1.541 20 0 GDADRO C[NH+](C)CCOc1cc(CNc2c(-c3nn[nH]n3)cnc3ccccc32)ccn1 ZINC000825870156 608100380 /nfs/dbraw/zinc/10/03/80/608100380.db2.gz BVZXQPYYYHLLEL-UHFFFAOYSA-N 1 0 390.451 1.784 20 0 GDADRO C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@@H+]2CC[C@H](C3CC3)C2)C1=O ZINC000824843577 608110010 /nfs/dbraw/zinc/11/00/10/608110010.db2.gz GYGNMBUZRKEBLB-IFXJQAMLSA-N 1 0 381.440 1.323 20 0 GDADRO C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@@H+]2CC[C@@H](C3CC3)C2)C1=O ZINC000824843578 608110074 /nfs/dbraw/zinc/11/00/74/608110074.db2.gz GYGNMBUZRKEBLB-KUHUBIRLSA-N 1 0 381.440 1.323 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)cs2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824976723 608121400 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SEFKMHZXGSGUHC-NEPJUHHUSA-N 1 0 377.880 1.873 20 0 GDADRO CC(C)CC[NH+]1CCC(CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824248798 608225460 /nfs/dbraw/zinc/22/54/60/608225460.db2.gz CEXBTXRGQPXZDT-UHFFFAOYSA-N 1 0 386.504 1.548 20 0 GDADRO CC[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825395955 608253728 /nfs/dbraw/zinc/25/37/28/608253728.db2.gz YOBBPDCBLHRVQC-KSSFIOAISA-N 1 0 384.484 1.887 20 0 GDADRO c1cn(CC[NH+]2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)cn1 ZINC000826523780 608254994 /nfs/dbraw/zinc/25/49/94/608254994.db2.gz XRPHRYSAUCUMJQ-UHFFFAOYSA-N 1 0 375.440 1.434 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NCCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000826276353 608283610 /nfs/dbraw/zinc/28/36/10/608283610.db2.gz BSPWSSHPGWQMOG-UHFFFAOYSA-N 1 0 394.487 1.374 20 0 GDADRO Cc1nn(-c2ccccc2)c(CN(C)[C@@H]2CCCCNC2=O)c1-c1nn[nH]n1 ZINC000826332595 608313119 /nfs/dbraw/zinc/31/31/19/608313119.db2.gz YTBJUCSDGPBNOV-OAHLLOKOSA-N 1 0 380.456 1.461 20 0 GDADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1-c1nn[nH]n1 ZINC000826332502 608313308 /nfs/dbraw/zinc/31/33/08/608313308.db2.gz WJQKIHZOYQSWBI-INIZCTEOSA-N 1 0 390.455 1.789 20 0 GDADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825859456 608316364 /nfs/dbraw/zinc/31/63/64/608316364.db2.gz FVHCGHGHIJWALY-UHFFFAOYSA-N 1 0 385.472 1.386 20 0 GDADRO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@@H+]1C ZINC000824885329 608334754 /nfs/dbraw/zinc/33/47/54/608334754.db2.gz RWDYGRWUJATYNP-SMDDNHRTSA-N 1 0 382.465 1.250 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3cc(-c4nn[nH]n4)ccc3F)CC[C@H]21 ZINC000826033980 608338888 /nfs/dbraw/zinc/33/88/88/608338888.db2.gz MSIWBZIDOULXQG-XJKSGUPXSA-N 1 0 394.476 1.252 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000826028797 608339385 /nfs/dbraw/zinc/33/93/85/608339385.db2.gz IEKITNHJTISXDV-XJKSGUPXSA-N 1 0 394.476 1.252 20 0 GDADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCCOc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826359935 608376267 /nfs/dbraw/zinc/37/62/67/608376267.db2.gz SYBCOXYQZIXEKL-HKUYNNGSSA-N 1 0 397.483 1.957 20 0 GDADRO C[C@]1(O)CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000824844259 608378753 /nfs/dbraw/zinc/37/87/53/608378753.db2.gz UGCWPJGEWGPSBP-SFHVURJKSA-N 1 0 390.513 1.982 20 0 GDADRO C[C@]1(O)CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000824843788 608378796 /nfs/dbraw/zinc/37/87/96/608378796.db2.gz KIRGAMOLVZLKKI-KRWDZBQOSA-N 1 0 376.486 1.592 20 0 GDADRO O[C@@H](C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503332 608412848 /nfs/dbraw/zinc/41/28/48/608412848.db2.gz VNMKVKTYMKMJPP-RDJZCZTQSA-N 1 0 380.456 1.706 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000826390360 608436490 /nfs/dbraw/zinc/43/64/90/608436490.db2.gz XPPJDPCBHNVROH-OAHLLOKOSA-N 1 0 375.864 1.439 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563130 608459555 /nfs/dbraw/zinc/45/95/55/608459555.db2.gz LTDDTLPKHPXQRA-DYVFJYSZSA-N 1 0 378.436 1.637 20 0 GDADRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826197375 608459739 /nfs/dbraw/zinc/45/97/39/608459739.db2.gz MTQYJAGLMWTOKI-ZDUSSCGKSA-N 1 0 396.451 1.851 20 0 GDADRO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825499293 608468220 /nfs/dbraw/zinc/46/82/20/608468220.db2.gz JXUFVWGJLRMADZ-CZUORRHYSA-N 1 0 386.456 1.462 20 0 GDADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000826090568 608479322 /nfs/dbraw/zinc/47/93/22/608479322.db2.gz JBVVSBUBWLABMH-NSHDSACASA-N 1 0 390.444 1.765 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824565113 608481990 /nfs/dbraw/zinc/48/19/90/608481990.db2.gz ZHJABXFEYYWKEG-ZDUSSCGKSA-N 1 0 393.451 1.858 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824564461 608488426 /nfs/dbraw/zinc/48/84/26/608488426.db2.gz UBHVXOOGANRSKF-OAHLLOKOSA-N 1 0 391.479 1.696 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826223354 608505870 /nfs/dbraw/zinc/50/58/70/608505870.db2.gz KEXAGWGUGIWTQZ-GDBMZVCRSA-N 1 0 376.486 1.258 20 0 GDADRO CS(=O)(=O)N1CCC(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826223118 608508016 /nfs/dbraw/zinc/50/80/16/608508016.db2.gz BVKURQDIXGXGQQ-KRWDZBQOSA-N 1 0 390.513 1.505 20 0 GDADRO O=C(C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1)N1CCCC1 ZINC000826399568 608507996 /nfs/dbraw/zinc/50/79/96/608507996.db2.gz ZPBHDADDYAUKMG-UHFFFAOYSA-N 1 0 380.456 1.349 20 0 GDADRO Cn1cc([C@@H]([NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C(C)(C)C)cn1 ZINC000826359984 608554468 /nfs/dbraw/zinc/55/44/68/608554468.db2.gz UJFXVWYEUOIJFS-QGZVFWFLSA-N 1 0 382.472 1.593 20 0 GDADRO Cc1nc(SCC(=O)N(C)CCC[NH+](C)C)c(-c2nn[nH]n2)c(C)c1C ZINC000826327629 608593131 /nfs/dbraw/zinc/59/31/31/608593131.db2.gz OMVKODACYPHWLS-UHFFFAOYSA-N 1 0 377.518 1.689 20 0 GDADRO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000823967161 608738329 /nfs/dbraw/zinc/73/83/29/608738329.db2.gz JLQRRBVTBOJKNO-LBPRGKRZSA-N 1 0 388.457 1.243 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000825001358 608834293 /nfs/dbraw/zinc/83/42/93/608834293.db2.gz ZTHFSQUPUMVJGJ-AWEZNQCLSA-N 1 0 387.451 1.916 20 0 GDADRO COc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1C ZINC000826195454 608835740 /nfs/dbraw/zinc/83/57/40/608835740.db2.gz VBOAJNPBIRPWJW-AWEZNQCLSA-N 1 0 380.456 1.684 20 0 GDADRO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)C2)cc1 ZINC000826521160 608873166 /nfs/dbraw/zinc/87/31/66/608873166.db2.gz BZTXLSFQNUFJIW-LJQANCHMSA-N 1 0 390.495 1.658 20 0 GDADRO Cc1cc(C(=O)N2CC[NH+](CC(C)C)CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258069 609141190 /nfs/dbraw/zinc/14/11/90/609141190.db2.gz YIJXOZWAJIGQPU-UHFFFAOYSA-N 1 0 394.483 1.775 20 0 GDADRO 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NS(=O)(=O)CC1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000534875807 650233318 /nfs/dbraw/zinc/23/33/18/650233318.db2.gz BKWDKWKKDVLHJT-CQSZACIVSA-N 1 0 380.432 1.609 20 0 GDADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000535040336 650239226 /nfs/dbraw/zinc/23/92/26/650239226.db2.gz ZHANUWUCLNJYDE-UHFFFAOYSA-N 1 0 389.543 1.077 20 0 GDADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000535091800 650241544 /nfs/dbraw/zinc/24/15/44/650241544.db2.gz JNTVBONPXITQFO-CYBMUJFWSA-N 1 0 393.285 1.757 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000535283911 650245980 /nfs/dbraw/zinc/24/59/80/650245980.db2.gz NJGGRYCODLWBSU-CYBMUJFWSA-N 1 0 395.301 1.973 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000536692156 650277999 /nfs/dbraw/zinc/27/79/99/650277999.db2.gz ANSUQWACSNZUJI-VXGBXAGGSA-N 1 0 393.506 1.348 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000536877187 650281998 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389.905 1.089 20 0 GDADRO Cc1cc(Br)cn2c(C[N@H+](C)C[C@@H](O)CN3CCOCC3)cnc12 ZINC000273584522 645166148 /nfs/dbraw/zinc/16/61/48/645166148.db2.gz ZPIFVODEMYQYIX-MRXNPFEDSA-N 1 0 397.317 1.530 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000569216343 650989144 /nfs/dbraw/zinc/98/91/44/650989144.db2.gz YNICXQJLWSBNGT-CQSZACIVSA-N 1 0 397.317 1.642 20 0 GDADRO Cc1nc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c(Br)n1C ZINC000314047986 645244126 /nfs/dbraw/zinc/24/41/26/645244126.db2.gz OPKTUSWVOGKMPV-SNVBAGLBSA-N 1 0 379.324 1.644 20 0 GDADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000317662706 645247693 /nfs/dbraw/zinc/24/76/93/645247693.db2.gz DKUUQIJQPRBZQH-UONOGXRCSA-N 1 0 389.315 1.899 20 0 GDADRO Cc1nc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c(Br)n1C ZINC000319415114 645251566 /nfs/dbraw/zinc/25/15/66/645251566.db2.gz HMINNFPCIFIRDI-UHFFFAOYSA-N 1 0 393.351 1.986 20 0 GDADRO CN(CCC[NH3+])C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000569334311 650995122 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ZINC000569693021 651010811 /nfs/dbraw/zinc/01/08/11/651010811.db2.gz OINQIJWHGZRGEC-UHFFFAOYSA-N 1 0 393.303 1.904 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cncc(Br)c2)CC1 ZINC000330941424 645439701 /nfs/dbraw/zinc/43/97/01/645439701.db2.gz CIQCUOSSPRIGTR-LBPRGKRZSA-N 1 0 391.335 1.148 20 0 GDADRO CN(CC[NH+](C)C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000331127258 645466806 /nfs/dbraw/zinc/46/68/06/645466806.db2.gz PBRUOBUPLIAHIV-UHFFFAOYSA-N 1 0 389.543 1.043 20 0 GDADRO CN(CC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1 ZINC000331220417 645482471 /nfs/dbraw/zinc/48/24/71/645482471.db2.gz JKNHNHLTONRXOW-HZPDHXFCSA-N 1 0 392.518 1.392 20 0 GDADRO COc1cc(NC(=O)NC[C@H]2C[NH2+]CCCO2)cc(OC)c1Br ZINC000569941838 651018661 /nfs/dbraw/zinc/01/86/61/651018661.db2.gz DZCFGOOSVWDACC-LLVKDONJSA-N 1 0 388.262 1.966 20 0 GDADRO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000569971468 651020201 /nfs/dbraw/zinc/02/02/01/651020201.db2.gz BJKRGBJJQXHFEM-LSDHHAIUSA-N 1 0 385.507 1.221 20 0 GDADRO C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000570037038 651023139 /nfs/dbraw/zinc/02/31/39/651023139.db2.gz GHOJYUNGCQWUJE-WDEREUQCSA-N 1 0 379.935 1.526 20 0 GDADRO O=C(C[NH2+][C@@H](CO)C1CCOCC1)Nc1ccc(Br)cc1F ZINC000570192656 651029222 /nfs/dbraw/zinc/02/92/22/651029222.db2.gz BGHZSBULTZGOSE-AWEZNQCLSA-N 1 0 375.238 1.904 20 0 GDADRO O=C(NCC[NH+]1CCC1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000570273699 651033032 /nfs/dbraw/zinc/03/30/32/651033032.db2.gz RCFDKGWDNJLXRI-CQSZACIVSA-N 1 0 381.274 1.559 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000370396942 645688882 /nfs/dbraw/zinc/68/88/82/645688882.db2.gz CCROEHVZJMGLNK-AAEUAGOBSA-N 1 0 396.285 1.679 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000570451759 651040396 /nfs/dbraw/zinc/04/03/96/651040396.db2.gz VCZBFIPOLWYLRE-AVGNSLFASA-N 1 0 397.317 1.386 20 0 GDADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3csc(S(C)(=O)=O)c3)C2)CC1 ZINC000372321430 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385.917 1.705 20 0 GDADRO C[C@@H](NC(=O)c1cc(Br)cc(N(C)C)c1)C(=O)NCC[NH+](C)C ZINC000570738667 651053007 /nfs/dbraw/zinc/05/30/07/651053007.db2.gz JVAUNBRVGUQCPQ-LLVKDONJSA-N 1 0 385.306 1.311 20 0 GDADRO CSc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)ccc1Cl ZINC000411573888 645885816 /nfs/dbraw/zinc/88/58/16/645885816.db2.gz UERDDCBHTRQZCL-CYBMUJFWSA-N 1 0 385.917 1.963 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000415507290 645894906 /nfs/dbraw/zinc/89/49/06/645894906.db2.gz CNFAUZAVGFOELR-ZETCQYMHSA-N 1 0 390.209 1.024 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415511119 645895312 /nfs/dbraw/zinc/89/53/12/645895312.db2.gz MUWHFTIPICGLOI-LLVKDONJSA-N 1 0 383.290 1.699 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415515451 645896328 /nfs/dbraw/zinc/89/63/28/645896328.db2.gz DKHUUXMXILCBSA-UHFFFAOYSA-N 1 0 394.273 1.689 20 0 GDADRO [NH3+]CCN(CCO)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415529994 645896528 /nfs/dbraw/zinc/89/65/28/645896528.db2.gz OAQIWOPGENZAJF-UHFFFAOYSA-N 1 0 382.262 1.479 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCC2C[NH2+]C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415534328 645897439 /nfs/dbraw/zinc/89/74/39/645897439.db2.gz JXKWSFOJEQBSSE-UHFFFAOYSA-N 1 0 382.251 1.762 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1I ZINC000415536220 645897460 /nfs/dbraw/zinc/89/74/60/645897460.db2.gz DWUDDBSPSRNSNR-GFCCVEGCSA-N 1 0 387.221 1.392 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417716599 645906658 /nfs/dbraw/zinc/90/66/58/645906658.db2.gz AELOTHGJEVVAMZ-JTQLQIEISA-N 1 0 381.278 1.889 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419071436 645911525 /nfs/dbraw/zinc/91/15/25/645911525.db2.gz ACHIPJCYRJUTSW-BETUJISGSA-N 1 0 392.297 1.275 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)s2)cs1 ZINC000419073776 645912098 /nfs/dbraw/zinc/91/20/98/645912098.db2.gz LGUWHNQWNRTEDV-GFCCVEGCSA-N 1 0 378.523 1.788 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2cccc(C)c2Br)[C@H](C[NH3+])C1 ZINC000419172496 645913174 /nfs/dbraw/zinc/91/31/74/645913174.db2.gz ZAVGKQDLENLDQK-KBPBESRZSA-N 1 0 398.301 1.338 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)[C@H]1C[NH3+] ZINC000419398063 645915571 /nfs/dbraw/zinc/91/55/71/645915571.db2.gz GSSNMBZHNZQKFX-MFKMUULPSA-N 1 0 389.283 1.469 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCCOc1ncc(Cl)cc1Cl)C1CCCC1 ZINC000419398883 645915584 /nfs/dbraw/zinc/91/55/84/645915584.db2.gz ICNLXKKEPNUOEG-ZDUSSCGKSA-N 1 0 389.283 1.517 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419397464 645915603 /nfs/dbraw/zinc/91/56/03/645915603.db2.gz FJXRTRWWSQZUGJ-ZDUSSCGKSA-N 1 0 391.299 1.715 20 0 GDADRO C[C@@H]1CN(C(=O)NCCc2nc(C(F)(F)F)cs2)[C@@H](C)C[N@@H+]1CCO ZINC000419461811 645919148 /nfs/dbraw/zinc/91/91/48/645919148.db2.gz IMNVFODMCSSABR-MNOVXSKESA-N 1 0 380.436 1.801 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419519811 645922308 /nfs/dbraw/zinc/92/23/08/645922308.db2.gz GLGHNVFQTWBPHX-UHFFFAOYSA-N 1 0 384.318 1.911 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000419606993 645924502 /nfs/dbraw/zinc/92/45/02/645924502.db2.gz GTFGYALPBQSWGA-OLZOCXBDSA-N 1 0 398.301 1.448 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)Oc1ccc(Br)cc1 ZINC000419607479 645924550 /nfs/dbraw/zinc/92/45/50/645924550.db2.gz HDNJXLVBXSHRFD-JHJVBQTASA-N 1 0 398.301 1.541 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000419608937 645924939 /nfs/dbraw/zinc/92/49/39/645924939.db2.gz IQOJFQWPJDFVTN-QWHCGFSZSA-N 1 0 398.301 1.401 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419765355 645930779 /nfs/dbraw/zinc/93/07/79/645930779.db2.gz XATZACSOIBMREV-NEPJUHHUSA-N 1 0 385.295 1.557 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000419771845 645931662 /nfs/dbraw/zinc/93/16/62/645931662.db2.gz FYCHIVZUKCGORV-LLVKDONJSA-N 1 0 398.301 1.845 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N(Cc1cc(Br)ccc1F)C1CC1)C1CC1 ZINC000420059783 645934334 /nfs/dbraw/zinc/93/43/34/645934334.db2.gz JUNSHHDMYQZXDH-OAHLLOKOSA-N 1 0 398.276 1.933 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000570845776 651058546 /nfs/dbraw/zinc/05/85/46/651058546.db2.gz QBGAGOGJRYGUNF-ZDUSSCGKSA-N 1 0 385.255 1.612 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000420191902 645938586 /nfs/dbraw/zinc/93/85/86/645938586.db2.gz AOBKSCHEPMQNNY-HUUCEWRRSA-N 1 0 396.285 1.217 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351630 645941586 /nfs/dbraw/zinc/94/15/86/645941586.db2.gz XRDHVUWCYPAAGX-XJKSGUPXSA-N 1 0 381.318 1.756 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000420357825 645941595 /nfs/dbraw/zinc/94/15/95/645941595.db2.gz HVABPCBMEZHDNG-CQSZACIVSA-N 1 0 397.317 1.482 20 0 GDADRO C[C@H]1CN(CC(=O)N(C)CCOc2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000420411967 645942605 /nfs/dbraw/zinc/94/26/05/645942605.db2.gz YXNRQNQRSQEKKF-KBPBESRZSA-N 1 0 384.318 1.969 20 0 GDADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CCCO1 ZINC000420386209 645942776 /nfs/dbraw/zinc/94/27/76/645942776.db2.gz IMYJKIUGMUALNS-SNVBAGLBSA-N 1 0 378.217 1.715 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)s1 ZINC000420471936 645943184 /nfs/dbraw/zinc/94/31/84/645943184.db2.gz CBZAABAVYGMHKL-AWEZNQCLSA-N 1 0 379.507 1.505 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(Cl)c1 ZINC000420474052 645943744 /nfs/dbraw/zinc/94/37/44/645943744.db2.gz DZGNKVPJNGYJTP-LBPRGKRZSA-N 1 0 385.877 1.425 20 0 GDADRO CCOc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)cc1Br ZINC000420474040 645943833 /nfs/dbraw/zinc/94/38/33/645943833.db2.gz DXJRNHAEJUJPTH-SNVBAGLBSA-N 1 0 379.276 1.115 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1nn(C)cc1I ZINC000420835734 645972012 /nfs/dbraw/zinc/97/20/12/645972012.db2.gz DAUNXJPVVAZBDO-SNVBAGLBSA-N 1 0 391.257 1.260 20 0 GDADRO O=C(CN1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1)Nc1ccc(Br)cc1 ZINC000420939557 645975376 /nfs/dbraw/zinc/97/53/76/645975376.db2.gz QQPLDBHQHCNIKJ-AKAXFMLLSA-N 1 0 382.302 1.776 20 0 GDADRO CNC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000420970543 645976404 /nfs/dbraw/zinc/97/64/04/645976404.db2.gz GOOFHGWFLUVINR-SNVBAGLBSA-N 1 0 387.221 1.298 20 0 GDADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CC[C@@H](C(N)=O)CC1)c1ccc(Br)cc1F ZINC000421198067 645991455 /nfs/dbraw/zinc/99/14/55/645991455.db2.gz ILISJFCXMUZABR-BHDSKKPTSA-N 1 0 386.265 1.996 20 0 GDADRO COCC[N@H+](C)CCNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000916323251 660191403 /nfs/dbraw/zinc/19/14/03/660191403.db2.gz HSZIFYNOVXCRDZ-UHFFFAOYSA-N 1 0 386.294 1.496 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000421298457 646002704 /nfs/dbraw/zinc/00/27/04/646002704.db2.gz MPQMRLOQQMVPAI-LBPRGKRZSA-N 1 0 387.889 1.235 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[NH+](CC2CC2)CC1 ZINC000916838463 660202566 /nfs/dbraw/zinc/20/25/66/660202566.db2.gz QFUBXYXVLXSNOJ-OAHLLOKOSA-N 1 0 386.949 1.732 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000422985793 646105686 /nfs/dbraw/zinc/10/56/86/646105686.db2.gz AHKFPTKBZNTYOW-TZMCWYRMSA-N 1 0 380.286 1.475 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000422992641 646106152 /nfs/dbraw/zinc/10/61/52/646106152.db2.gz RRLGGJLFRXNVIH-OCCSQVGLSA-N 1 0 382.302 1.851 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000422993021 646106317 /nfs/dbraw/zinc/10/63/17/646106317.db2.gz DWAQEHMYQVJPDY-IMJJTQAJSA-N 1 0 394.313 1.993 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000422995219 646106919 /nfs/dbraw/zinc/10/69/19/646106919.db2.gz JPRUAVHSXDLOPS-KGLIPLIRSA-N 1 0 380.286 1.475 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423002432 646107534 /nfs/dbraw/zinc/10/75/34/646107534.db2.gz JHFIFMJJWAMWSS-NSHDSACASA-N 1 0 384.274 1.236 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423001352 646107581 /nfs/dbraw/zinc/10/75/81/646107581.db2.gz HYYBHMPVXFLRBJ-KRWDZBQOSA-N 1 0 398.301 1.484 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000423003480 646108192 /nfs/dbraw/zinc/10/81/92/646108192.db2.gz MILYGQNHDUIKKR-UHFFFAOYSA-N 1 0 398.301 1.497 20 0 GDADRO COC[C@@]1(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[NH2+]C1 ZINC000423047283 646110371 /nfs/dbraw/zinc/11/03/71/646110371.db2.gz HABFBPNMVGXIMN-MRXNPFEDSA-N 1 0 384.274 1.520 20 0 GDADRO O=S(=O)(NCCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)c1ccccc1Cl ZINC000423095078 646112170 /nfs/dbraw/zinc/11/21/70/646112170.db2.gz DDGZIYYSAIIVHV-DOTOQJQBSA-N 1 0 387.933 1.365 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000423100111 646113860 /nfs/dbraw/zinc/11/38/60/646113860.db2.gz BMCUIFKFASOGDT-SWLSCSKDSA-N 1 0 380.286 1.920 20 0 GDADRO COc1cc(CNC(=O)c2cn(CCC[NH3+])nn2)cc(Br)c1OC ZINC000423129668 646115857 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GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000423518692 646126592 /nfs/dbraw/zinc/12/65/92/646126592.db2.gz OXOMAHNGLJQSKA-GFCCVEGCSA-N 1 0 380.286 1.402 20 0 GDADRO O=C(C(=O)N1CCC(c2cccc(Br)c2)CC1)N1CC[NH2+]CC1 ZINC000423534675 646129045 /nfs/dbraw/zinc/12/90/45/646129045.db2.gz WNUZJQUDJNDZKM-UHFFFAOYSA-N 1 0 380.286 1.587 20 0 GDADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423554237 646129674 /nfs/dbraw/zinc/12/96/74/646129674.db2.gz LNXPAKGNMSYYDQ-GWCFXTLKSA-N 1 0 386.279 1.625 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC=C(c3cccc(Br)c3)CC2)C1 ZINC000423572569 646131613 /nfs/dbraw/zinc/13/16/13/646131613.db2.gz QBGSYUQTDYYXKI-INIZCTEOSA-N 1 0 392.297 1.885 20 0 GDADRO O=C(C(=O)N1CCC[C@@H]1c1ccc(Br)s1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423572281 646131671 /nfs/dbraw/zinc/13/16/71/646131671.db2.gz PUWFJTISILVHLW-GRYCIOLGSA-N 1 0 398.326 1.852 20 0 GDADRO CN(C(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000423578829 646132578 /nfs/dbraw/zinc/13/25/78/646132578.db2.gz MRBZCEUEBJHMMV-BXUZGUMPSA-N 1 0 396.285 1.538 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000423584034 646133947 /nfs/dbraw/zinc/13/39/47/646133947.db2.gz CQMPUQSRTOBQCF-RISCZKNCSA-N 1 0 381.274 1.315 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423585674 646133965 /nfs/dbraw/zinc/13/39/65/646133965.db2.gz ARPZNGKZSGIABN-OKILXGFUSA-N 1 0 380.286 1.475 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000423589488 646134531 /nfs/dbraw/zinc/13/45/31/646134531.db2.gz ICCWBLULNCIJNM-DZGCQCFKSA-N 1 0 395.301 1.718 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000423601522 646135774 /nfs/dbraw/zinc/13/57/74/646135774.db2.gz ZPSIFISHQUPHPQ-OCCSQVGLSA-N 1 0 381.274 1.328 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000423602093 646136528 /nfs/dbraw/zinc/13/65/28/646136528.db2.gz FPMWQEIRYGEKOR-GFCCVEGCSA-N 1 0 384.274 1.107 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000423617688 646137719 /nfs/dbraw/zinc/13/77/19/646137719.db2.gz GWAXVBMVYLXSBW-VIFPVBQESA-N 1 0 375.313 1.670 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000423618196 646137760 /nfs/dbraw/zinc/13/77/60/646137760.db2.gz UEDASMHEAKVPSK-CQSZACIVSA-N 1 0 398.301 1.497 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)C1 ZINC000423617823 646137991 /nfs/dbraw/zinc/13/79/91/646137991.db2.gz XVRNOHBYZSIJEF-GDBMZVCRSA-N 1 0 394.313 1.660 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423657242 646139906 /nfs/dbraw/zinc/13/99/06/646139906.db2.gz YLIRTDZSSUAULU-IUODEOHRSA-N 1 0 386.279 1.843 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000423676707 646141820 /nfs/dbraw/zinc/14/18/20/646141820.db2.gz QZMCMKFNKQNGHZ-CHWSQXEVSA-N 1 0 398.301 1.482 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cccc(Cl)c2Cl)[C@H](C[NH3+])C1 ZINC000423683735 646142652 /nfs/dbraw/zinc/14/26/52/646142652.db2.gz XCUXQZGJJWVAOT-QWHCGFSZSA-N 1 0 388.295 1.917 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423678520 646142703 /nfs/dbraw/zinc/14/27/03/646142703.db2.gz JCSCXYVWUWBJCA-UHFFFAOYSA-N 1 0 394.269 1.988 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423690261 646143312 /nfs/dbraw/zinc/14/33/12/646143312.db2.gz YJZPCEYGRUTARK-CYBMUJFWSA-N 1 0 384.274 1.236 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000423940662 646144549 /nfs/dbraw/zinc/14/45/49/646144549.db2.gz ATEZPKHTVWTHPQ-XPTSAGLGSA-N 1 0 394.269 1.629 20 0 GDADRO C[C@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000423947011 646145295 /nfs/dbraw/zinc/14/52/95/646145295.db2.gz CXPTUIBACVNXSF-RNCFNFMXSA-N 1 0 396.285 1.923 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc(I)ccc1Cl ZINC000423987666 646149601 /nfs/dbraw/zinc/14/96/01/646149601.db2.gz HUHSQCAXQLIDNA-VIFPVBQESA-N 1 0 380.613 1.663 20 0 GDADRO Cc1c(C(=O)NC[C@@H]2C[NH2+]CCO2)nnn1-c1cccc(Br)c1 ZINC000423992374 646150481 /nfs/dbraw/zinc/15/04/81/646150481.db2.gz OIPQOPNOAGUCHX-ZDUSSCGKSA-N 1 0 380.246 1.056 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)nn1-c1ccc(Br)cc1 ZINC000423996026 646151064 /nfs/dbraw/zinc/15/10/64/646151064.db2.gz VXNKQCFAUHQLIB-AWEZNQCLSA-N 1 0 379.258 1.661 20 0 GDADRO CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CC[NH3+] ZINC000423998277 646151349 /nfs/dbraw/zinc/15/13/49/646151349.db2.gz AUUQAQFGJWHMKM-CYBMUJFWSA-N 1 0 392.319 1.169 20 0 GDADRO C[C@H]1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)C[C@@H]1C[NH3+] ZINC000424018217 646153192 /nfs/dbraw/zinc/15/31/92/646153192.db2.gz PUIDCZSFJUDESK-RYUDHWBXSA-N 1 0 396.285 1.618 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCCO1 ZINC000424016454 646153257 /nfs/dbraw/zinc/15/32/57/646153257.db2.gz DWGUDJUZLPSDBD-OLZOCXBDSA-N 1 0 396.285 1.378 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CCCO1 ZINC000424022591 646153949 /nfs/dbraw/zinc/15/39/49/646153949.db2.gz OVLPBMRZDNFEIG-HNNXBMFYSA-N 1 0 379.258 1.825 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1Br ZINC000424222288 646165312 /nfs/dbraw/zinc/16/53/12/646165312.db2.gz DYBKPTZGAKUEHD-GOEBONIOSA-N 1 0 377.286 1.987 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c(OC)c1 ZINC000424364965 646174623 /nfs/dbraw/zinc/17/46/23/646174623.db2.gz ULYAAMXMYUUHMM-CHWSQXEVSA-N 1 0 391.515 1.005 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424361041 646174678 /nfs/dbraw/zinc/17/46/78/646174678.db2.gz HFHQRUCYCAQNHN-CHWSQXEVSA-N 1 0 391.287 1.784 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432336694 646180808 /nfs/dbraw/zinc/18/08/08/646180808.db2.gz PDXBUGOUGIMMMO-GFCCVEGCSA-N 1 0 376.500 1.314 20 0 GDADRO Cc1[nH+]ccc(NC2CCN(CCS(C)(=O)=O)CC2)c1Br ZINC000892441441 658327189 /nfs/dbraw/zinc/32/71/89/658327189.db2.gz QBMNTYNZRDLLAR-UHFFFAOYSA-N 1 0 376.320 1.495 20 0 GDADRO CNC(=O)CCC[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439442204 646233141 /nfs/dbraw/zinc/23/31/41/646233141.db2.gz RYOQRYYWQVGQCS-ZDUSSCGKSA-N 1 0 377.254 1.786 20 0 GDADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439453017 646234645 /nfs/dbraw/zinc/23/46/45/646234645.db2.gz ONJYCUIPPIPQLC-GYSYKLTISA-N 1 0 389.265 1.914 20 0 GDADRO CC[NH2+]CCNS(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000440746425 646253989 /nfs/dbraw/zinc/25/39/89/646253989.db2.gz KFEOCWOKMPKEBX-UHFFFAOYSA-N 1 0 395.319 1.752 20 0 GDADRO C[S@@](=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000441379230 646256165 /nfs/dbraw/zinc/25/61/65/646256165.db2.gz IWNAUNJMLQWBSA-XMMPIXPASA-N 1 0 388.461 1.770 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000917544629 660215541 /nfs/dbraw/zinc/21/55/41/660215541.db2.gz JYMLKOHUDSUBQS-UHFFFAOYSA-N 1 0 381.420 1.614 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(OC)CCS(=O)(=O)C1 ZINC000917576907 660215713 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647407122 /nfs/dbraw/zinc/40/71/22/647407122.db2.gz FEKSBPQXBBEPSV-UHFFFAOYSA-N 1 0 385.306 1.696 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)NC[C@H]1CCC[N@H+]1CCCO ZINC000457721137 647424952 /nfs/dbraw/zinc/42/49/52/647424952.db2.gz AWTVWEMOFRXYHO-CYBMUJFWSA-N 1 0 390.315 1.946 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000921033624 660280207 /nfs/dbraw/zinc/28/02/07/660280207.db2.gz VHSHBSMYSRQBSL-UHFFFAOYSA-N 1 0 383.495 1.338 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459699649 647464455 /nfs/dbraw/zinc/46/44/55/647464455.db2.gz OREWLRXKYGJMGC-MRXNPFEDSA-N 1 0 391.273 1.685 20 0 GDADRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000461728008 647500486 /nfs/dbraw/zinc/50/04/86/647500486.db2.gz PFHMAFVCKDSQRK-UHFFFAOYSA-N 1 0 377.532 1.598 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000461785454 647501535 /nfs/dbraw/zinc/50/15/35/647501535.db2.gz BWRRZQZDJCVJKU-HNNXBMFYSA-N 1 0 376.567 1.562 20 0 GDADRO 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CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000491582265 647995766 /nfs/dbraw/zinc/99/57/66/647995766.db2.gz WCTYHXOVEISVSV-KBPBESRZSA-N 1 0 389.543 1.136 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000495494956 648013380 /nfs/dbraw/zinc/01/33/80/648013380.db2.gz KHYMRXTUAKCAGO-LLVKDONJSA-N 1 0 386.524 1.531 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000495576102 648013904 /nfs/dbraw/zinc/01/39/04/648013904.db2.gz AXZWHVJTDZWRJK-HNNXBMFYSA-N 1 0 385.555 1.444 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCCOc1ccccc1Br ZINC000495591101 648013920 /nfs/dbraw/zinc/01/39/20/648013920.db2.gz KXYRHTNTDTZCSK-UHFFFAOYSA-N 1 0 398.301 1.498 20 0 GDADRO C[C@H](Oc1ccccc1Br)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000495640083 648014414 /nfs/dbraw/zinc/01/44/14/648014414.db2.gz OQFDBFSMIKNWMM-LBPRGKRZSA-N 1 0 384.274 1.107 20 0 GDADRO CC[C@H](Cc1ccccc1Br)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000495670304 648014642 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C[C@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1ccc(OCC(F)(F)F)cc1 ZINC000497711607 648035231 /nfs/dbraw/zinc/03/52/31/648035231.db2.gz HBGNRYOSSUJHCZ-GXFFZTMASA-N 1 0 382.404 1.567 20 0 GDADRO O=C(CN1c2cc(Cl)ccc2CS1(=O)=O)NC1CC[NH+](C2CC2)CC1 ZINC000497751472 648036699 /nfs/dbraw/zinc/03/66/99/648036699.db2.gz RFWFTQSMRFBEJN-UHFFFAOYSA-N 1 0 383.901 1.733 20 0 GDADRO [NH3+][C@@H](CC(F)F)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000498196520 648050319 /nfs/dbraw/zinc/05/03/19/648050319.db2.gz TYRHVSRNHJOSAE-AWEZNQCLSA-N 1 0 375.441 1.460 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000498467776 648058710 /nfs/dbraw/zinc/05/87/10/648058710.db2.gz DNSAANWWBPWAHT-CQSZACIVSA-N 1 0 384.274 1.853 20 0 GDADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H](CO)CC(F)(F)F)CC1 ZINC000498769429 648066685 /nfs/dbraw/zinc/06/66/85/648066685.db2.gz QNIVGRPADADFCE-LBPRGKRZSA-N 1 0 384.424 1.083 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCC[NH+]1CCC1 ZINC000500850970 648121221 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CC(C)C[C@H](C[NH3+])NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000573609607 651486406 /nfs/dbraw/zinc/48/64/06/651486406.db2.gz FWFLXMQGKKYAQH-GFCCVEGCSA-N 1 0 377.304 1.712 20 0 GDADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)CCCN1CCOCC1 ZINC000574194523 651522103 /nfs/dbraw/zinc/52/21/03/651522103.db2.gz YOQCYOURWXVYMD-UHFFFAOYSA-N 1 0 375.579 1.627 20 0 GDADRO C[C@H]1C[C@H](NC(=O)N[C@H]2C[NH2+]CCC2(F)F)c2ccsc2S1(=O)=O ZINC000574261754 651526414 /nfs/dbraw/zinc/52/64/14/651526414.db2.gz WHTCUYQYCADDGM-LSJOCFKGSA-N 1 0 379.454 1.652 20 0 GDADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000574385828 651537310 /nfs/dbraw/zinc/53/73/10/651537310.db2.gz DCHISQUAUWXEQY-CYBMUJFWSA-N 1 0 398.305 1.067 20 0 GDADRO C[C@]1(F)C[NH2+]CCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000574452545 651544010 /nfs/dbraw/zinc/54/40/10/651544010.db2.gz BSHJZJRJBLSGGB-AWEZNQCLSA-N 1 0 379.295 1.856 20 0 GDADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COC[C@H]1CCCO1 ZINC000574501061 651547514 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Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)c1 ZINC000577842075 651757287 /nfs/dbraw/zinc/75/72/87/651757287.db2.gz HWUXUAHHTWIOOT-MRXNPFEDSA-N 1 0 388.555 1.011 20 0 GDADRO CN1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000577847571 651757947 /nfs/dbraw/zinc/75/79/47/651757947.db2.gz WFSBDBCWUBHQTE-STQMWFEESA-N 1 0 385.295 1.448 20 0 GDADRO [NH3+]CCC1CCN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000577857709 651758908 /nfs/dbraw/zinc/75/89/08/651758908.db2.gz KAOTVGPIJLCORE-UHFFFAOYSA-N 1 0 394.313 1.921 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@@H]2C)c(C)c[nH+]1 ZINC000577866043 651759919 /nfs/dbraw/zinc/75/99/19/651759919.db2.gz WRRABSMOSJASLI-SWLSCSKDSA-N 1 0 389.543 1.360 20 0 GDADRO Cc1cc(N2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)ncc1Br ZINC000577994572 651763857 /nfs/dbraw/zinc/76/38/57/651763857.db2.gz LJQQUUDIQORJKS-LBPRGKRZSA-N 1 0 393.289 1.941 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1OC ZINC000578132159 651775492 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C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000578890907 651822586 /nfs/dbraw/zinc/82/25/86/651822586.db2.gz BQVPNBMNEMUYLT-VHSXEESVSA-N 1 0 384.267 2.360 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000579231693 651843196 /nfs/dbraw/zinc/84/31/96/651843196.db2.gz PXCQWCMNVCHEIC-DMDPSCGWSA-N 1 0 387.311 1.930 20 0 GDADRO Cc1ccc(OCCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(Br)c1 ZINC000579258902 651847184 /nfs/dbraw/zinc/84/71/84/651847184.db2.gz CTRCRCXBKAEZND-OCCSQVGLSA-N 1 0 396.285 1.297 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000579334353 651851531 /nfs/dbraw/zinc/85/15/31/651851531.db2.gz ACWYQLFQSYXUED-BXUZGUMPSA-N 1 0 396.285 1.284 20 0 GDADRO Cn1cc(Br)c(CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)n1 ZINC000579441684 651859544 /nfs/dbraw/zinc/85/95/44/651859544.db2.gz ILLAKTAFWAJINL-UHFFFAOYSA-N 1 0 393.289 1.259 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000579483351 651861803 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O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000580424152 651915287 /nfs/dbraw/zinc/91/52/87/651915287.db2.gz VSTYSBNUGYQQCG-HUUCEWRRSA-N 1 0 388.917 1.626 20 0 GDADRO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ncc(Br)cn1 ZINC000580510001 651921312 /nfs/dbraw/zinc/92/13/12/651921312.db2.gz CYKCPHPXPSTVJR-LLVKDONJSA-N 1 0 382.306 1.633 20 0 GDADRO CO[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@H](C[NH3+])C1 ZINC000580647667 651931665 /nfs/dbraw/zinc/93/16/65/651931665.db2.gz NKVCLKJLQPICAY-NWDGAFQWSA-N 1 0 394.269 1.869 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N(C)CCC[NH3+] ZINC000580773363 651938259 /nfs/dbraw/zinc/93/82/59/651938259.db2.gz KWDLDIXKVHCRJR-UHFFFAOYSA-N 1 0 389.543 1.139 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(I)cc1F ZINC000580785325 651939735 /nfs/dbraw/zinc/93/97/35/651939735.db2.gz AHZAQRPRDXGUHX-VIFPVBQESA-N 1 0 379.173 1.540 20 0 GDADRO CC(C)(CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000580831523 651942561 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CCN(CC)C(=O)[C@@H]1CSCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000582309584 651987985 /nfs/dbraw/zinc/98/79/85/651987985.db2.gz JKYVVFCIBHWMBJ-HOTGVXAUSA-N 1 0 385.599 1.974 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000582310452 651988111 /nfs/dbraw/zinc/98/81/11/651988111.db2.gz JAAUUUSERFCWRL-QGZVFWFLSA-N 1 0 386.279 1.296 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000582833728 652018332 /nfs/dbraw/zinc/01/83/32/652018332.db2.gz VYHUEBKVNQUYKG-ZETCQYMHSA-N 1 0 378.654 1.761 20 0 GDADRO CCOC(=O)c1cccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000583113034 652026400 /nfs/dbraw/zinc/02/64/00/652026400.db2.gz RNJUVBQDLFLTPE-UHFFFAOYSA-N 1 0 386.539 1.969 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2cc(I)c[nH]2)CC12CCOCC2 ZINC000583262931 652032680 /nfs/dbraw/zinc/03/26/80/652032680.db2.gz VJVLRCPHGWDQDE-JTQLQIEISA-N 1 0 389.237 1.447 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000583930543 652050607 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CC[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000601455529 652584352 /nfs/dbraw/zinc/58/43/52/652584352.db2.gz HQPXHUUEPQZTBN-OAHLLOKOSA-N 1 0 377.551 1.006 20 0 GDADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)C1 ZINC000601474558 652586358 /nfs/dbraw/zinc/58/63/58/652586358.db2.gz QSWWJEFSNQJCFS-CABCVRRESA-N 1 0 375.535 1.359 20 0 GDADRO CCOC(=O)[C@@]1(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CCCOC1 ZINC000601934391 652611044 /nfs/dbraw/zinc/61/10/44/652611044.db2.gz BYELJUDXTFDRFC-RHSMWYFYSA-N 1 0 399.285 1.925 20 0 GDADRO Cn1cc(I)c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC000602320937 652630989 /nfs/dbraw/zinc/63/09/89/652630989.db2.gz RKPKXLPRKMRLHX-LLVKDONJSA-N 1 0 390.269 1.875 20 0 GDADRO C[S@](=O)C1(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[NH2+]CC1 ZINC000602467700 652638440 /nfs/dbraw/zinc/63/84/40/652638440.db2.gz YLLHFIMSIFXEIL-SXBQZSJRSA-N 1 0 383.901 1.062 20 0 GDADRO C[S@](=O)C1(C(=O)NCCc2nc(-c3ccccn3)cs2)CC[NH2+]CC1 ZINC000602472578 652638962 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376.276 1.518 20 0 GDADRO COc1cc(S(=O)(=O)N2C[C@@H]([NH3+])C[C@H]2C)c(OC)cc1Br ZINC000631972828 653282701 /nfs/dbraw/zinc/28/27/01/653282701.db2.gz IVWZLTGLCCYGFV-BDAKNGLRSA-N 1 0 379.276 1.577 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CCC[C@H]4C[NH2+]CC[C@@H]43)cc2C1 ZINC000631993037 653286258 /nfs/dbraw/zinc/28/62/58/653286258.db2.gz JBROLBWHVRYNEQ-ZFWWWQNUSA-N 1 0 383.539 1.415 20 0 GDADRO CN1CCO[C@H](CS(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000632028258 653292285 /nfs/dbraw/zinc/29/22/85/653292285.db2.gz WSNJSXSOPJFBON-VYDXJSESSA-N 1 0 387.571 1.381 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)Cc1ncsc1Br ZINC000632032744 653293220 /nfs/dbraw/zinc/29/32/20/653293220.db2.gz YALMPWZGFFELAU-UHFFFAOYSA-N 1 0 386.337 1.293 20 0 GDADRO C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc2ncsc2c1 ZINC000632237384 653320967 /nfs/dbraw/zinc/32/09/67/653320967.db2.gz ZURYWXLOJDQGEV-AWEZNQCLSA-N 1 0 382.555 1.914 20 0 GDADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)C[C@@H]1CCC1(F)F ZINC000632339809 653341138 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COc1cc(CNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)cc(Br)c1OC ZINC000637970729 653533799 /nfs/dbraw/zinc/53/37/99/653533799.db2.gz URQSRHZJCISQKY-BDJLRTHQSA-N 1 0 387.274 1.850 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000637970408 653533820 /nfs/dbraw/zinc/53/38/20/653533820.db2.gz QJYJKLWZDGBQFG-CABCVRRESA-N 1 0 396.285 1.742 20 0 GDADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000637971953 653534094 /nfs/dbraw/zinc/53/40/94/653534094.db2.gz VQHGVNOOQFHZOD-CZUORRHYSA-N 1 0 384.274 1.062 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@@]3(C)C[NH2+]CCO3)C2=O)ccc1Br ZINC000638301214 653537780 /nfs/dbraw/zinc/53/77/80/653537780.db2.gz SEMDCCZPQQONHU-WMLDXEAASA-N 1 0 396.285 1.358 20 0 GDADRO O=C(CN1CC[NH2+]CC1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000638325593 653538221 /nfs/dbraw/zinc/53/82/21/653538221.db2.gz ILUFKTXHBLJBLA-UHFFFAOYSA-N 1 0 399.308 1.138 20 0 GDADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000638333242 653538320 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1 0 385.433 1.012 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC[C@H]1C(F)(F)F ZINC000638550490 653539518 /nfs/dbraw/zinc/53/95/18/653539518.db2.gz KTTJXRGTXAVKEK-ZYUZMQFOSA-N 1 0 375.313 1.429 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000638582117 653540705 /nfs/dbraw/zinc/54/07/05/653540705.db2.gz SHYSHCUYFBCKOM-HNNXBMFYSA-N 1 0 388.295 1.950 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000638588085 653540890 /nfs/dbraw/zinc/54/08/90/653540890.db2.gz UQWXYYFZGWOIBQ-UHFFFAOYSA-N 1 0 396.289 1.646 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000638771054 653543053 /nfs/dbraw/zinc/54/30/53/653543053.db2.gz JPNXBMAMFRQKPB-IINYFYTJSA-N 1 0 394.269 1.692 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638764293 653543118 /nfs/dbraw/zinc/54/31/18/653543118.db2.gz ASKVYSJOERQXLL-OPQQBVKSSA-N 1 0 379.404 1.239 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N2CCc3cc(F)cc(Br)c3C2)nn1 ZINC000638774032 653543388 /nfs/dbraw/zinc/54/33/88/653543388.db2.gz WFPGSEIEHCGJLF-UHFFFAOYSA-N 1 0 382.237 1.727 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)[C@]12CCCO2 ZINC000638773675 653543410 /nfs/dbraw/zinc/54/34/10/653543410.db2.gz PNBNMFGATQLFKZ-HLPPOEQASA-N 1 0 375.512 1.199 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)C1 ZINC000638799582 653543902 /nfs/dbraw/zinc/54/39/02/653543902.db2.gz JTOBFZPUJBZMAE-NSHDSACASA-N 1 0 380.436 1.609 20 0 GDADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CCOC1C[NH2+]C1 ZINC000638827580 653544371 /nfs/dbraw/zinc/54/43/71/653544371.db2.gz OKCNPOMIOYNKLY-ZDUSSCGKSA-N 1 0 377.268 1.570 20 0 GDADRO Cc1ccc(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1Br ZINC000639036227 653544790 /nfs/dbraw/zinc/54/47/90/653544790.db2.gz QIASIRJTYJYNML-UHFFFAOYSA-N 1 0 389.315 1.541 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)s1 ZINC000639107082 653546504 /nfs/dbraw/zinc/54/65/04/653546504.db2.gz NWYCDFFRNNLZRT-SNVBAGLBSA-N 1 0 394.440 1.754 20 0 GDADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000639160067 653547455 /nfs/dbraw/zinc/54/74/55/653547455.db2.gz AILAEAJHAXZCFP-DOMZBBRYSA-N 1 0 380.290 1.787 20 0 GDADRO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)C1=O ZINC000639771133 653553013 /nfs/dbraw/zinc/55/30/13/653553013.db2.gz AZSMGHANNZMIFO-LBPRGKRZSA-N 1 0 397.273 1.628 20 0 GDADRO O=C1[C@@H]([N@H+](CCN2CCOCC2)[C@@H]2CCSC2)CCN1CC(F)(F)F ZINC000639773658 653553199 /nfs/dbraw/zinc/55/31/99/653553199.db2.gz DLFCATDWBJIREM-KGLIPLIRSA-N 1 0 381.464 1.289 20 0 GDADRO COCCOC[C@@H](O)C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639775962 653553748 /nfs/dbraw/zinc/55/37/48/653553748.db2.gz HWSJDAVSPLTYEX-KBPBESRZSA-N 1 0 375.263 1.321 20 0 GDADRO Nc1nnc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)o1 ZINC000639825843 653554406 /nfs/dbraw/zinc/55/44/06/653554406.db2.gz YYEPQRQALZKMEW-WCQYABFASA-N 1 0 397.273 2.034 20 0 GDADRO COCCCNC(=O)[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640905405 653560537 /nfs/dbraw/zinc/56/05/37/653560537.db2.gz UIZQTCAZLQTHTP-NHYWBVRUSA-N 1 0 396.289 1.802 20 0 GDADRO CN(CCC[NH3+])Cc1cn(C[C@@H](O)COc2cc(Cl)ccc2Cl)nn1 ZINC000641199710 653562715 /nfs/dbraw/zinc/56/27/15/653562715.db2.gz BUTWDQOHJDXZPP-CQSZACIVSA-N 1 0 388.299 1.805 20 0 GDADRO COCC(COC)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000641353296 653565608 /nfs/dbraw/zinc/56/56/08/653565608.db2.gz SASRZWHZMJOPGC-CJNGLKHVSA-N 1 0 376.544 1.712 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cnn3cc(Br)cnc23)CC[N@@H+]1C ZINC000641356044 653565811 /nfs/dbraw/zinc/56/58/11/653565811.db2.gz VODHWGSZRLSHKJ-KOLCDFICSA-N 1 0 388.291 1.253 20 0 GDADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)C[C@@]2(C)CC2(F)F)CC1 ZINC000641490894 653569374 /nfs/dbraw/zinc/56/93/74/653569374.db2.gz DWUSTMAYNOYWEX-OAHLLOKOSA-N 1 0 384.489 1.421 20 0 GDADRO CN1CCc2c(cccc2S(=O)(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1 ZINC000641642566 653573596 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CC[C@H]1CN(C(=O)C(=O)NCc2cc(C)ccc2Br)CC[C@H]1[NH3+] ZINC000642373581 653578345 /nfs/dbraw/zinc/57/83/45/653578345.db2.gz IIOIBYCWRKOBDX-SWLSCSKDSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(NCCCc1ccc(Br)cc1F)C(=O)NCC[NH2+]C1CC1 ZINC000642649306 653578963 /nfs/dbraw/zinc/57/89/63/653578963.db2.gz YGWNFWSCSXZKIZ-UHFFFAOYSA-N 1 0 386.265 1.505 20 0 GDADRO O=C(NCCc1nc(C(F)(F)F)cs1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642779019 653579262 /nfs/dbraw/zinc/57/92/62/653579262.db2.gz ZSMXTAQBEFIGGG-VHSXEESVSA-N 1 0 376.404 1.031 20 0 GDADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCc2c(Br)cccc2C1 ZINC000642900784 653579587 /nfs/dbraw/zinc/57/95/87/653579587.db2.gz VJWCWXQLOHPAMC-PBWFPOADSA-N 1 0 392.297 1.733 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)N3CCc4c3cccc4Br)[C@H]2C1 ZINC000643275949 653581396 /nfs/dbraw/zinc/58/13/96/653581396.db2.gz WBOKFVGLJPAWCM-ABAIWWIYSA-N 1 0 378.270 1.501 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)CC[C@@H]1[NH3+] ZINC000643503964 653583203 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CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1 ZINC000657327155 654149543 /nfs/dbraw/zinc/14/95/43/654149543.db2.gz SEKTYYJCGOIUDC-UHFFFAOYSA-N 1 0 376.404 1.778 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cnc(OC)c(Br)c2C)CC1 ZINC000657805812 654165419 /nfs/dbraw/zinc/16/54/19/654165419.db2.gz CVVXXAFROMCUHR-UHFFFAOYSA-N 1 0 399.289 1.654 20 0 GDADRO COc1ncc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)c(C)c1Br ZINC000657811224 654165985 /nfs/dbraw/zinc/16/59/85/654165985.db2.gz RJDDSMAXIKEUKU-UHFFFAOYSA-N 1 0 399.289 1.700 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)CCc1ccccc1Cl ZINC000658377180 654186712 /nfs/dbraw/zinc/18/67/12/654186712.db2.gz XVVRIYDHIPCHPS-HNNXBMFYSA-N 1 0 387.933 1.532 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCCC1 ZINC000658391054 654189498 /nfs/dbraw/zinc/18/94/98/654189498.db2.gz NBVCJZRTUDKYFH-UHFFFAOYSA-N 1 0 387.527 1.021 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000658404619 654190189 /nfs/dbraw/zinc/19/01/89/654190189.db2.gz VOJHCAUPRKXTSH-UHFFFAOYSA-N 1 0 375.288 1.796 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(SC)cc2)CC1 ZINC000658407643 654190756 /nfs/dbraw/zinc/19/07/56/654190756.db2.gz CVXYAFLZWPDGIC-UHFFFAOYSA-N 1 0 385.555 1.677 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000659113166 654215212 /nfs/dbraw/zinc/21/52/12/654215212.db2.gz NEMIBZYRNKKMCW-JTQLQIEISA-N 1 0 384.267 1.901 20 0 GDADRO CN[C@@H](C(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1Cl ZINC000659251559 654218781 /nfs/dbraw/zinc/21/87/81/654218781.db2.gz XWYPQUKSPFGYRQ-CQSZACIVSA-N 1 0 394.324 1.794 20 0 GDADRO [NH3+]CC[C@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)C(F)(F)F ZINC000659326638 654222513 /nfs/dbraw/zinc/22/25/13/654222513.db2.gz WLRAVZLWTAZFDO-JTQLQIEISA-N 1 0 393.167 1.434 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC[C@H]1F ZINC000659390067 654225115 /nfs/dbraw/zinc/22/51/15/654225115.db2.gz RYRBPWUCDZVXED-GHMZBOCLSA-N 1 0 386.221 1.072 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC[C@H]1F ZINC000659391254 654225297 /nfs/dbraw/zinc/22/52/97/654225297.db2.gz QXYYMLAIEFOIEG-VXGBXAGGSA-N 1 0 375.491 1.434 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000659447586 654227284 /nfs/dbraw/zinc/22/72/84/654227284.db2.gz JHJHPRZDJKJTTJ-CQSZACIVSA-N 1 0 385.306 1.852 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659512810 654227798 /nfs/dbraw/zinc/22/77/98/654227798.db2.gz QHWPLUZFKOUCOO-UHFFFAOYSA-N 1 0 386.294 1.261 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)NCc2ccc(C[NH3+])cc2)C[C@H]1C(F)(F)F ZINC000659556277 654229208 /nfs/dbraw/zinc/22/92/08/654229208.db2.gz DWCFQCCKEJZZCG-CHWSQXEVSA-N 1 0 379.404 1.262 20 0 GDADRO OCC1(O)CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000661619555 654278426 /nfs/dbraw/zinc/27/84/26/654278426.db2.gz ZIAVBOFIBCYUKU-ZDUSSCGKSA-N 1 0 378.238 1.147 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN1CCOC[C@@H]1c1cccc(Br)c1 ZINC000661734799 654282571 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378.420 1.892 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)NC[C@@H](C)[NH3+])C2=O)ccc1Br ZINC000669561484 654506023 /nfs/dbraw/zinc/50/60/23/654506023.db2.gz SLAZUNUOUWXDBX-RISCZKNCSA-N 1 0 383.290 1.899 20 0 GDADRO COC(=O)C[C@@]1([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CCCOC1 ZINC000770701886 654519469 /nfs/dbraw/zinc/51/94/69/654519469.db2.gz VTESEOCIGBYXQX-INIZCTEOSA-N 1 0 375.874 1.816 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000670172517 654519599 /nfs/dbraw/zinc/51/95/99/654519599.db2.gz IKBLYBSKDAFWDU-CQSZACIVSA-N 1 0 375.922 1.777 20 0 GDADRO O=C(NCc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104130 654531470 /nfs/dbraw/zinc/53/14/70/654531470.db2.gz LSRGOBLHGGGFPE-VHSXEESVSA-N 1 0 376.404 1.521 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1ccsc1Br)C1CC[NH+](C)CC1 ZINC000672007547 654549209 /nfs/dbraw/zinc/54/92/09/654549209.db2.gz JPEKUZWCSWICCZ-SNVBAGLBSA-N 1 0 388.331 1.973 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccc(Br)cn1 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IREYYEAOZKDEJX-CYBMUJFWSA-N 1 0 378.441 1.909 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000673519472 654576232 /nfs/dbraw/zinc/57/62/32/654576232.db2.gz TXDLWOAZLFQFAN-LLVKDONJSA-N 1 0 385.237 1.426 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccccc1OC(F)(F)F ZINC000772948790 654576441 /nfs/dbraw/zinc/57/64/41/654576441.db2.gz ZVSZNXKKDMFDOL-LBPRGKRZSA-N 1 0 382.404 1.898 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Br)C(=O)NCC[NH+](C)C ZINC000673542169 654577148 /nfs/dbraw/zinc/57/71/48/654577148.db2.gz IVYHJPMIORBLKC-NEPJUHHUSA-N 1 0 386.290 1.399 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C[C@H]1C ZINC000673695715 654581335 /nfs/dbraw/zinc/58/13/35/654581335.db2.gz AXJDONBGUIWMMV-GHMZBOCLSA-N 1 0 381.420 1.244 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000674309990 654597196 /nfs/dbraw/zinc/59/71/96/654597196.db2.gz OHGGLIMAMIMMHZ-UHFFFAOYSA-N 1 0 389.905 1.552 20 0 GDADRO CC(C)(C)S(=O)(=O)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000736659987 654600566 /nfs/dbraw/zinc/60/05/66/654600566.db2.gz CKSJZPVFKOXWRO-UHFFFAOYSA-N 1 0 375.535 1.144 20 0 GDADRO CCN1C(=O)[C@H]2C[N@H+](CCOc3ccc(Br)cc3)CCN2C1=O ZINC000674472123 654600802 /nfs/dbraw/zinc/60/08/02/654600802.db2.gz LHSDAAHIMUBSIO-CQSZACIVSA-N 1 0 382.258 1.796 20 0 GDADRO C[NH+](C)CCCN(C(=O)CNc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000675143805 654609419 /nfs/dbraw/zinc/60/94/19/654609419.db2.gz DXYTUUQFHJPBET-MRXNPFEDSA-N 1 0 387.933 1.719 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000774205818 654616233 /nfs/dbraw/zinc/61/62/33/654616233.db2.gz AMJXLESMCWHAMP-LBPRGKRZSA-N 1 0 381.274 1.788 20 0 GDADRO CC[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000737386410 654619972 /nfs/dbraw/zinc/61/99/72/654619972.db2.gz AHWTXEIVKUSZNW-QWRGUYRKSA-N 1 0 377.894 1.278 20 0 GDADRO O=S(=O)(CC[NH2+][C@H]1CCc2c1cccc2Br)N1CCOCC1 ZINC000774442298 654629133 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C[NH+](C)CCCN(C(=O)CC[C@@H]1CC1(Cl)Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000829795575 654914382 /nfs/dbraw/zinc/91/43/82/654914382.db2.gz LJDLTFQGFVIZFU-CHWSQXEVSA-N 1 0 385.357 1.928 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)/C=C/c1ccccc1Br ZINC000752045181 654919197 /nfs/dbraw/zinc/91/91/97/654919197.db2.gz PZQCPPBOPBOCMI-MYSGNRETSA-N 1 0 377.304 1.652 20 0 GDADRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000829983278 654922851 /nfs/dbraw/zinc/92/28/51/654922851.db2.gz PDRMGUFJEUELDW-HIFRSBDPSA-N 1 0 384.267 1.800 20 0 GDADRO C[C@@]1(C2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)NC(=O)NC1=O ZINC000752302164 654925527 /nfs/dbraw/zinc/92/55/27/654925527.db2.gz MNSXRIBXLUJRSS-PBHICJAKSA-N 1 0 396.285 1.793 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000830020017 654925694 /nfs/dbraw/zinc/92/56/94/654925694.db2.gz AIPJMFCULQCOGD-YNEHKIRRSA-N 1 0 379.448 1.483 20 0 GDADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000801516528 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CCO[C@H](CNC(=O)CSc1nnc(-c2cccs2)n1C)C[NH+](C)C ZINC000831751598 654996004 /nfs/dbraw/zinc/99/60/04/654996004.db2.gz NTPBQMPJPNFEFD-GFCCVEGCSA-N 1 0 383.543 1.719 20 0 GDADRO Cc1nc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c(Br)n1C ZINC000804950838 655005096 /nfs/dbraw/zinc/00/50/96/655005096.db2.gz KCXNWFACGWDRPN-JTQLQIEISA-N 1 0 379.324 1.644 20 0 GDADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000805004219 655009965 /nfs/dbraw/zinc/00/99/65/655009965.db2.gz MFUFQXKCCWORSF-LLVKDONJSA-N 1 0 382.454 1.255 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000805023280 655013261 /nfs/dbraw/zinc/01/32/61/655013261.db2.gz RRXFBQINAPQUSS-GFCCVEGCSA-N 1 0 379.885 1.996 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000805023282 655013282 /nfs/dbraw/zinc/01/32/82/655013282.db2.gz RRXFBQINAPQUSS-LBPRGKRZSA-N 1 0 379.885 1.996 20 0 GDADRO Cc1nc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(Br)n1C ZINC000805072946 655020983 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CCS(=O)(=O)N1CCC(CNC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000757949656 655047325 /nfs/dbraw/zinc/04/73/25/655047325.db2.gz QHLZQCXWTSDJFU-UHFFFAOYSA-N 1 0 378.608 1.100 20 0 GDADRO Cn1ccnc1[C@](O)(CCNC(=O)C[N@H+](C)[C@H]1CCSC1)C(F)(F)F ZINC000758007141 655049302 /nfs/dbraw/zinc/04/93/02/655049302.db2.gz ULDITVOFWKIPMA-SMDDNHRTSA-N 1 0 380.436 1.114 20 0 GDADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc(C(F)(F)F)nc1Cl ZINC000832815618 655054358 /nfs/dbraw/zinc/05/43/58/655054358.db2.gz UEUDHDQTVKYECX-UHFFFAOYSA-N 1 0 375.742 1.534 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CCO1 ZINC000834317248 655062429 /nfs/dbraw/zinc/06/24/29/655062429.db2.gz SFGFJNPVPLNHFC-NHYWBVRUSA-N 1 0 387.889 1.068 20 0 GDADRO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000834341363 655063965 /nfs/dbraw/zinc/06/39/65/655063965.db2.gz RVYBUGCWJLQWFF-NBRGXKJWSA-N 1 0 385.555 1.409 20 0 GDADRO CCC[NH2+]CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000834370333 655064908 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20 0 GDADRO C[NH+](C)CCCOC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000791480809 655072701 /nfs/dbraw/zinc/07/27/01/655072701.db2.gz GUAVHYJRXABKPZ-UHFFFAOYSA-N 1 0 393.303 1.612 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000834722790 655076796 /nfs/dbraw/zinc/07/67/96/655076796.db2.gz CUTNWWGAIDAZCE-AWEZNQCLSA-N 1 0 384.221 1.750 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCC1(C)OCCO1 ZINC000759175359 655079190 /nfs/dbraw/zinc/07/91/90/655079190.db2.gz CJUBDPYCTVNBSI-LBPRGKRZSA-N 1 0 377.894 1.447 20 0 GDADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cn(-c2ccccc2Br)nn1 ZINC000834840692 655080812 /nfs/dbraw/zinc/08/08/12/655080812.db2.gz GVURKHFVIQPHAV-GFCCVEGCSA-N 1 0 386.200 1.757 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834875516 655081941 /nfs/dbraw/zinc/08/19/41/655081941.db2.gz QEAHXNSTUBSPAL-DOMZBBRYSA-N 1 0 390.527 1.630 20 0 GDADRO O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000807551811 655086130 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COc1nc(Br)ccc1NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000836129524 655133444 /nfs/dbraw/zinc/13/34/44/655133444.db2.gz YYRZLQIQAMCLED-UHFFFAOYSA-N 1 0 399.289 1.782 20 0 GDADRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000810248017 655154005 /nfs/dbraw/zinc/15/40/05/655154005.db2.gz NDXWWMXNJGJYKQ-GFCCVEGCSA-N 1 0 386.499 1.029 20 0 GDADRO C[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794788096 655154418 /nfs/dbraw/zinc/15/44/18/655154418.db2.gz YFEWFCIDRFWUJK-OAHLLOKOSA-N 1 0 375.535 1.599 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000810464182 655162161 /nfs/dbraw/zinc/16/21/61/655162161.db2.gz UMHRQSHRDSVFMX-SNVBAGLBSA-N 1 0 387.278 1.636 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000795128751 655162871 /nfs/dbraw/zinc/16/28/71/655162871.db2.gz AVBHGZUCEHVFNB-RBSFLKMASA-N 1 0 376.592 1.043 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cs1 ZINC000810763911 655172836 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C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765346610 655238257 /nfs/dbraw/zinc/23/82/57/655238257.db2.gz XWHWKFKWJYLFHV-CJNGLKHVSA-N 1 0 390.527 1.632 20 0 GDADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000765409152 655239320 /nfs/dbraw/zinc/23/93/20/655239320.db2.gz LYCPSTLYCBPKNP-LLVKDONJSA-N 1 0 376.910 1.760 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)cnc3Cl)[C@H]2C1 ZINC000813741339 655244750 /nfs/dbraw/zinc/24/47/50/655244750.db2.gz PPABFFKNSSWLRZ-SCZZXKLOSA-N 1 0 380.695 1.822 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=S)NCCC[NH+](C)C)s1 ZINC000839403851 655245984 /nfs/dbraw/zinc/24/59/84/655245984.db2.gz MUCZNNNILQJGHH-UHFFFAOYSA-N 1 0 392.616 1.694 20 0 GDADRO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000797585234 655246563 /nfs/dbraw/zinc/24/65/63/655246563.db2.gz DDHRPHOZHRURLH-JTQLQIEISA-N 1 0 393.303 1.900 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000839471118 655247758 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392.543 1.614 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)CN2CCn3c(Br)cnc3C2)CC1 ZINC000839580287 655253881 /nfs/dbraw/zinc/25/38/81/655253881.db2.gz FILVJXMFNYLMCD-UHFFFAOYSA-N 1 0 384.322 1.450 20 0 GDADRO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000798187619 655256070 /nfs/dbraw/zinc/25/60/70/655256070.db2.gz PUNGSZUAHYTYLG-CABCVRRESA-N 1 0 377.551 1.797 20 0 GDADRO CC(C)[C@H](CNS(=O)(=O)CCCN1CCOCC1)[NH+]1CCC(C)CC1 ZINC000766031686 655256418 /nfs/dbraw/zinc/25/64/18/655256418.db2.gz YHNRYFRCZLOOPL-SFHVURJKSA-N 1 0 375.579 1.385 20 0 GDADRO C[N@H+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000814171784 655258133 /nfs/dbraw/zinc/25/81/33/655258133.db2.gz SMLIPKDLIRJACR-RHSMWYFYSA-N 1 0 375.535 1.599 20 0 GDADRO C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)C[C@@H](O)c1cccc(Br)c1 ZINC000839635927 655258949 /nfs/dbraw/zinc/25/89/49/655258949.db2.gz LZIFJHLIZXDCBN-YESZJQIVSA-N 1 0 388.302 1.971 20 0 GDADRO COC[C@@H]([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C(C)C ZINC000766164133 655260587 /nfs/dbraw/zinc/26/05/87/655260587.db2.gz ZIZNCIOMTUAMMU-XJKSGUPXSA-N 1 0 392.543 1.734 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1Cl ZINC000798324559 655262044 /nfs/dbraw/zinc/26/20/44/655262044.db2.gz OFNHVBULCTZGAR-UHFFFAOYSA-N 1 0 377.813 1.820 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)C(=O)c2ccc(Br)s2)CC1(C)C ZINC000839756612 655264101 /nfs/dbraw/zinc/26/41/01/655264101.db2.gz ALEKCXPNBRHHAQ-UHFFFAOYSA-N 1 0 388.331 1.836 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000798373671 655264781 /nfs/dbraw/zinc/26/47/81/655264781.db2.gz LHAZARMRCVTSJL-ZDUSSCGKSA-N 1 0 380.480 1.736 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)C(=O)c1ccc(Br)s1 ZINC000839781115 655264953 /nfs/dbraw/zinc/26/49/53/655264953.db2.gz IWFUMPRGIFBTFC-SNVBAGLBSA-N 1 0 375.288 1.656 20 0 GDADRO C[NH+]1CCC(CNC(=O)C[C@]2(C)CC2(Cl)Cl)(N2CCOCC2)CC1 ZINC000839808239 655266199 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1.925 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000799772304 655299518 /nfs/dbraw/zinc/29/95/18/655299518.db2.gz OOVPMGFOJCMRQY-AWEZNQCLSA-N 1 0 375.535 1.599 20 0 GDADRO O=C1NCCN(C[C@H](O)C[NH+]2CCCC2)[C@@H]1c1ccccc1Br ZINC000767740535 655303015 /nfs/dbraw/zinc/30/30/15/655303015.db2.gz GJRCTCBUDWRFIK-CZUORRHYSA-N 1 0 382.302 1.379 20 0 GDADRO O=C1NCCN(C[C@H](O)C[NH+]2CCCC2)[C@H]1c1ccccc1Br ZINC000767740528 655303075 /nfs/dbraw/zinc/30/30/75/655303075.db2.gz GJRCTCBUDWRFIK-CJNGLKHVSA-N 1 0 382.302 1.379 20 0 GDADRO COc1cc(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cnc1Cl ZINC000799823939 655303210 /nfs/dbraw/zinc/30/32/10/655303210.db2.gz KAQWMWVYKMOINZ-UHFFFAOYSA-N 1 0 376.910 1.048 20 0 GDADRO CC[NH+](CC)CCN(C(=O)C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 ZINC000767866060 655308531 /nfs/dbraw/zinc/30/85/31/655308531.db2.gz KDVOVCYETZILFJ-CABCVRRESA-N 1 0 394.628 1.583 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000841095385 655308615 /nfs/dbraw/zinc/30/86/15/655308615.db2.gz FDEBLGQNFWAJCN-SECBINFHSA-N 1 0 381.376 1.814 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1ccc(Br)nc1 ZINC000841148441 655310341 /nfs/dbraw/zinc/31/03/41/655310341.db2.gz QMIVAZDVZKIHAR-SNVBAGLBSA-N 1 0 396.211 1.802 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CC[NH2+]1 ZINC000841174400 655312219 /nfs/dbraw/zinc/31/22/19/655312219.db2.gz WWSYRQVUWRRHAT-GFCCVEGCSA-N 1 0 382.917 1.652 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000841184197 655312818 /nfs/dbraw/zinc/31/28/18/655312818.db2.gz XBUPTLJLIHEKBB-AWEZNQCLSA-N 1 0 384.933 1.931 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)n2)CC1 ZINC000841189734 655312959 /nfs/dbraw/zinc/31/29/59/655312959.db2.gz JSWPUQFOOOXHCY-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000841198454 655313547 /nfs/dbraw/zinc/31/35/47/655313547.db2.gz UJLFMUNGZLREAY-GFCCVEGCSA-N 1 0 381.274 1.773 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841203445 655313978 /nfs/dbraw/zinc/31/39/78/655313978.db2.gz PCKBNOOCTPTNFG-UHFFFAOYSA-N 1 0 381.832 1.945 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CCO1 ZINC000841213532 655314575 /nfs/dbraw/zinc/31/45/75/655314575.db2.gz OLLYXYAKQGREHB-OAHLLOKOSA-N 1 0 392.253 1.727 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241692 655316711 /nfs/dbraw/zinc/31/67/11/655316711.db2.gz RZPOAMCWQCUHSO-QMMMGPOBSA-N 1 0 383.168 1.973 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000841246910 655317019 /nfs/dbraw/zinc/31/70/19/655317019.db2.gz JWDYSTBVVNKRDB-CYBMUJFWSA-N 1 0 395.301 1.939 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841260794 655318079 /nfs/dbraw/zinc/31/80/79/655318079.db2.gz YZDXUAVCGLDTSI-CHWSQXEVSA-N 1 0 395.301 1.939 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cnc(Cl)c1Br ZINC000841262624 655318298 /nfs/dbraw/zinc/31/82/98/655318298.db2.gz XBBIZKPNGQVISQ-IUCAKERBSA-N 1 0 389.681 1.988 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841273961 655318521 /nfs/dbraw/zinc/31/85/21/655318521.db2.gz MZMVBBJTVNKVON-OAHLLOKOSA-N 1 0 392.253 1.645 20 0 GDADRO CN(CCCNC(=O)c1ccccc1S(=O)(=O)C(F)F)CC[NH+](C)C ZINC000841438949 655324709 /nfs/dbraw/zinc/32/47/09/655324709.db2.gz OYBFHIWNMHWJTI-UHFFFAOYSA-N 1 0 377.457 1.296 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000817400615 655351588 /nfs/dbraw/zinc/35/15/88/655351588.db2.gz BHEDAQQYKHTROV-SNVBAGLBSA-N 1 0 389.681 1.989 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Nc2ccnc(Br)c2C)CC[N@H+](C)C1 ZINC000841723377 655352715 /nfs/dbraw/zinc/35/27/15/655352715.db2.gz NTEYYQFYBFIECN-NSHDSACASA-N 1 0 385.262 1.721 20 0 GDADRO CC(C)([NH3+])CNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000841868096 655354479 /nfs/dbraw/zinc/35/44/79/655354479.db2.gz ZZRZAIRTQIXFSW-UHFFFAOYSA-N 1 0 383.392 1.395 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)NCCSCc2ccnc(Cl)c2)CCC[NH2+]C1 ZINC000842021663 655355541 /nfs/dbraw/zinc/35/55/41/655355541.db2.gz RWZXLTZFCLZGAT-QGZVFWFLSA-N 1 0 384.933 1.590 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCCS2)C[C@H]1c1cccc(F)c1 ZINC000842126564 655357123 /nfs/dbraw/zinc/35/71/23/655357123.db2.gz FMURUVJOKVXUME-SOUVJXGZSA-N 1 0 383.514 1.044 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)NC(=O)OC(C)(C)C ZINC000842207783 655358635 /nfs/dbraw/zinc/35/86/35/655358635.db2.gz QWGXXCGIZDJQJQ-SNVBAGLBSA-N 1 0 377.894 1.990 20 0 GDADRO [NH3+]CCc1ccc(CNC(=O)C(=O)NCc2cc(Br)cs2)cc1 ZINC000842216696 655359268 /nfs/dbraw/zinc/35/92/68/655359268.db2.gz NEWQUSFMCLTXIA-UHFFFAOYSA-N 1 0 396.310 1.944 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000842217034 655359422 /nfs/dbraw/zinc/35/94/22/655359422.db2.gz SAUVQQQYSLYSOV-CYBMUJFWSA-N 1 0 386.265 1.587 20 0 GDADRO CCC[NH2+]CCN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817962024 655363079 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COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c(Cl)cc1Cl ZINC000842482433 655367411 /nfs/dbraw/zinc/36/74/11/655367411.db2.gz VUTWVMLDAAWGTJ-VIFPVBQESA-N 1 0 397.280 1.437 20 0 GDADRO O=S(=O)(NCC1CC[NH2+]CC1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842687915 655371261 /nfs/dbraw/zinc/37/12/61/655371261.db2.gz ZPMRAXAMDGSGTP-UHFFFAOYSA-N 1 0 386.417 1.258 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000842689287 655371265 /nfs/dbraw/zinc/37/12/65/655371265.db2.gz AMELRJJITPOAKG-RKDXNWHRSA-N 1 0 386.948 1.695 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842690203 655371418 /nfs/dbraw/zinc/37/14/18/655371418.db2.gz OWXQPPFSAOJVEZ-GHMZBOCLSA-N 1 0 382.454 1.573 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)ccc1F ZINC000842702265 655372098 /nfs/dbraw/zinc/37/20/98/655372098.db2.gz ILTRHELWJJFJMZ-UHFFFAOYSA-N 1 0 386.470 1.209 20 0 GDADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000842736793 655374389 /nfs/dbraw/zinc/37/43/89/655374389.db2.gz IRWGXGPQFPITCR-UHFFFAOYSA-N 1 0 375.878 1.095 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000818563069 655376300 /nfs/dbraw/zinc/37/63/00/655376300.db2.gz BHZFMZWNVJUYOW-ZJUUUORDSA-N 1 0 375.288 1.662 20 0 GDADRO C[C@@](C[NH3+])(NC(=O)c1cc(S(C)(=O)=O)ccc1Br)C1CC1 ZINC000818555094 655376380 /nfs/dbraw/zinc/37/63/80/655376380.db2.gz ZSAPRZYKRQUBCM-AWEZNQCLSA-N 1 0 375.288 1.710 20 0 GDADRO CN(C)c1cc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc(Cl)n1 ZINC000818594082 655376891 /nfs/dbraw/zinc/37/68/91/655376891.db2.gz BZVRMOXKCRXYOQ-LLVKDONJSA-N 1 0 379.814 1.367 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)ccc1Cl ZINC000818596067 655377078 /nfs/dbraw/zinc/37/70/78/655377078.db2.gz WJZSUDLRAAWTSN-CYBMUJFWSA-N 1 0 389.905 1.784 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000842798312 655377920 /nfs/dbraw/zinc/37/79/20/655377920.db2.gz PLZBBDVIFXOXJX-GXFFZTMASA-N 1 0 379.404 1.935 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@@]1(C[NH3+])CCCC[C@H]1C ZINC000842804069 655378285 /nfs/dbraw/zinc/37/82/85/655378285.db2.gz UWIQWGOTBXNQEF-MEBBXXQBSA-N 1 0 375.878 1.708 20 0 GDADRO CCC[NH2+]CCNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000842820838 655379421 /nfs/dbraw/zinc/37/94/21/655379421.db2.gz GGCFMBJWLYVEKZ-UHFFFAOYSA-N 1 0 397.266 1.653 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)s1 ZINC000842830836 655380196 /nfs/dbraw/zinc/38/01/96/655380196.db2.gz ORBMGDSZURQNGZ-VXNVDRBHSA-N 1 0 397.316 1.574 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842834918 655380278 /nfs/dbraw/zinc/38/02/78/655380278.db2.gz CJSZKNIKTMFJCO-CABZTGNLSA-N 1 0 386.417 1.256 20 0 GDADRO O=S(=O)(/C=C\c1ccc(F)cc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000842853160 655380986 /nfs/dbraw/zinc/38/09/86/655380986.db2.gz UEFYNCZMRWXGOT-XTXQVDMPSA-N 1 0 381.395 1.552 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842852559 655380998 /nfs/dbraw/zinc/38/09/98/655380998.db2.gz PCQCCMAWLHFHRO-UWVGGRQHSA-N 1 0 386.417 1.003 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000842851383 655381000 /nfs/dbraw/zinc/38/10/00/655381000.db2.gz OKUPBPCVVOHAAM-UWVGGRQHSA-N 1 0 399.257 1.917 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1)C(F)(F)F ZINC000842870560 655381645 /nfs/dbraw/zinc/38/16/45/655381645.db2.gz FIYCPOXGNNFANW-LBPRGKRZSA-N 1 0 377.388 1.608 20 0 GDADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842870317 655381664 /nfs/dbraw/zinc/38/16/64/655381664.db2.gz ZBPKNOYWEFYJME-GFCCVEGCSA-N 1 0 386.417 1.338 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000818946738 655381994 /nfs/dbraw/zinc/38/19/94/655381994.db2.gz VFECRDMEOLMDNK-HNNXBMFYSA-N 1 0 391.331 1.886 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)CCC[NH3+])ccc1Br ZINC000842877437 655382116 /nfs/dbraw/zinc/38/21/16/655382116.db2.gz DNHUINXZBMILKH-SECBINFHSA-N 1 0 379.276 1.641 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1)C(F)(F)F ZINC000842894808 655383342 /nfs/dbraw/zinc/38/33/42/655383342.db2.gz SMWZKGASXISVQN-JTQLQIEISA-N 1 0 387.330 1.463 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)c3nonc32)CC1 ZINC000842895351 655383475 /nfs/dbraw/zinc/38/34/75/655383475.db2.gz WQUVWQGBBXTRBT-ABAIWWIYSA-N 1 0 386.861 1.393 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c(Cl)s1 ZINC000842895708 655383484 /nfs/dbraw/zinc/38/34/84/655383484.db2.gz PIJQZHRFJFUFKY-SECBINFHSA-N 1 0 386.948 1.616 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819065118 655384577 /nfs/dbraw/zinc/38/45/77/655384577.db2.gz KCIXABHUDOIKGB-DZGCQCFKSA-N 1 0 378.535 1.407 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccccc1Br ZINC000819077862 655384774 /nfs/dbraw/zinc/38/47/74/655384774.db2.gz PMJNGOCRGGIVPX-CRAIPNDOSA-N 1 0 398.345 1.479 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@H](O)COc2ccccc2)CC1)C(F)(F)F ZINC000819148923 655386902 /nfs/dbraw/zinc/38/69/02/655386902.db2.gz FJOVPNLSOMSNCN-ZDUSSCGKSA-N 1 0 382.404 1.330 20 0 GDADRO O[C@H](C[NH2+]C[C@H](O)C1CC1)COc1ccc(I)cc1 ZINC000843071783 655387798 /nfs/dbraw/zinc/38/77/98/655387798.db2.gz MDGXTJMTSKFYMB-OCCSQVGLSA-N 1 0 377.222 1.391 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843078117 655387996 /nfs/dbraw/zinc/38/79/96/655387996.db2.gz WYZCIEXOAFMDIH-BXUZGUMPSA-N 1 0 389.290 1.958 20 0 GDADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)CCO2 ZINC000819209688 655388209 /nfs/dbraw/zinc/38/82/09/655388209.db2.gz JQEFMNQVFDXLRL-WQVCFCJDSA-N 1 0 377.865 1.838 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@@H](O)c1cccc(F)c1 ZINC000843099578 655388435 /nfs/dbraw/zinc/38/84/35/655388435.db2.gz APYCZOOFEMYLLN-MLGOLLRUSA-N 1 0 375.462 1.594 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000819254252 655388685 /nfs/dbraw/zinc/38/86/85/655388685.db2.gz VCYIPDBBWUURLJ-UONOGXRCSA-N 1 0 376.519 1.352 20 0 GDADRO CCS(=O)(=O)CC[NH2+]C[C@H](CO)Cc1cccc(Br)c1C ZINC000843117686 655388971 /nfs/dbraw/zinc/38/89/71/655388971.db2.gz SNSOIWNLJIOLBJ-CYBMUJFWSA-N 1 0 378.332 1.933 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(-c2nc(CC[NH3+])no2)cc1Br ZINC000843130888 655389166 /nfs/dbraw/zinc/38/91/66/655389166.db2.gz KEXVBMUJUKEJIR-UHFFFAOYSA-N 1 0 375.248 1.251 20 0 GDADRO Brc1cc(Cc2noc(C[C@@H]3C[NH2+]CCO3)n2)cc2c1OCCO2 ZINC000843202559 655389566 /nfs/dbraw/zinc/38/95/66/655389566.db2.gz HYJRDBFLKODWLG-LLVKDONJSA-N 1 0 396.241 1.725 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C[C@@H](O)C2CC2)c1 ZINC000819310175 655389594 /nfs/dbraw/zinc/38/95/94/655389594.db2.gz GQYIIPWDZNEKQC-CYBMUJFWSA-N 1 0 377.304 1.396 20 0 GDADRO O=C1NC(=O)C2(CCC([NH2+]C[C@H](O)c3ccc(Br)cc3)CC2)N1 ZINC000819309711 655389607 /nfs/dbraw/zinc/38/96/07/655389607.db2.gz PWZUGDOXACMKFX-UYJPIKCFSA-N 1 0 382.258 1.593 20 0 GDADRO CN(C[C@H](O)C[NH2+]CCCn1cc(Br)cn1)C(=O)OC(C)(C)C ZINC000819315315 655389720 /nfs/dbraw/zinc/38/97/20/655389720.db2.gz WNWDQDRDZNZYSW-CYBMUJFWSA-N 1 0 391.310 1.853 20 0 GDADRO Brc1cccc(-c2nc(-c3noc(C[C@H]4C[NH2+]CCO4)n3)n[nH]2)c1 ZINC000843229486 655389970 /nfs/dbraw/zinc/38/99/70/655389970.db2.gz WYIKYTNTJDDIRM-NSHDSACASA-N 1 0 391.229 1.815 20 0 GDADRO CCOC(=O)COCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819345128 655390212 /nfs/dbraw/zinc/39/02/12/655390212.db2.gz WHTSUQNCIIMGHC-HNNXBMFYSA-N 1 0 378.238 1.965 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000843271111 655390363 /nfs/dbraw/zinc/39/03/63/655390363.db2.gz BIPTVZLNDPJWQE-ZDUSSCGKSA-N 1 0 385.555 1.273 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cccc(Br)c1)C1CCOCC1 ZINC000819348395 655390378 /nfs/dbraw/zinc/39/03/78/655390378.db2.gz DGRZOLSFKAHAFK-HNNXBMFYSA-N 1 0 392.315 1.666 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)COc1cccc(Br)c1)C1CC1 ZINC000819370494 655390695 /nfs/dbraw/zinc/39/06/95/655390695.db2.gz TWRIQACILBAFDJ-LBPRGKRZSA-N 1 0 378.288 1.356 20 0 GDADRO NC(=O)c1cn(CCCC[NH2+]C[C@@H](O)c2ccccc2Br)nn1 ZINC000819375648 655390827 /nfs/dbraw/zinc/39/08/27/655390827.db2.gz QHRHDJVLNSEBCN-CQSZACIVSA-N 1 0 382.262 1.243 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)ccc1Cl ZINC000843356490 655393573 /nfs/dbraw/zinc/39/35/73/655393573.db2.gz RXZREXXSASWXMW-CQSZACIVSA-N 1 0 391.921 1.967 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000843378205 655393917 /nfs/dbraw/zinc/39/39/17/655393917.db2.gz JAZLVLYQBPXOAR-LBPRGKRZSA-N 1 0 375.441 1.682 20 0 GDADRO C[C@]1(F)C[NH2+]CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000843387648 655394117 /nfs/dbraw/zinc/39/41/17/655394117.db2.gz MENCMTYJWDUIDM-HNNXBMFYSA-N 1 0 379.404 1.255 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000843400448 655394379 /nfs/dbraw/zinc/39/43/79/655394379.db2.gz DQGZWCNIKJXHFL-NEPJUHHUSA-N 1 0 377.268 1.618 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843407365 655394399 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GDADRO COc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)nc1Br ZINC000844032119 655405421 /nfs/dbraw/zinc/40/54/21/655405421.db2.gz AOVDCMVSTNQEFM-SNVBAGLBSA-N 1 0 385.262 1.045 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000844035925 655405543 /nfs/dbraw/zinc/40/55/43/655405543.db2.gz OYRAQJXMCZVPST-VIFPVBQESA-N 1 0 378.782 1.946 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cnn(C)n1)c1ccc(Br)cn1 ZINC000844508696 655410772 /nfs/dbraw/zinc/41/07/72/655410772.db2.gz HNEBZYAPQWUQHW-UHFFFAOYSA-N 1 0 381.278 1.961 20 0 GDADRO Cc1cc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cnc1Br ZINC000844617077 655411902 /nfs/dbraw/zinc/41/19/02/655411902.db2.gz UHDKNFUPGXRXKN-UHFFFAOYSA-N 1 0 384.278 1.390 20 0 GDADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000820626873 655413228 /nfs/dbraw/zinc/41/32/28/655413228.db2.gz KUVFBQDDULAMOT-ZDUSSCGKSA-N 1 0 395.301 1.577 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Cl)nc2C(F)(F)F)CC1=O ZINC000844762283 655414571 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O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NCC[NH+]1CCC(O)CC1 ZINC000821863819 655436265 /nfs/dbraw/zinc/43/62/65/655436265.db2.gz ONZKQQUXDBDJRY-CQSZACIVSA-N 1 0 396.285 1.448 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000821884179 655436514 /nfs/dbraw/zinc/43/65/14/655436514.db2.gz PZLVTVFVLDIGTQ-UHFFFAOYSA-N 1 0 382.404 1.678 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845964812 655440528 /nfs/dbraw/zinc/44/05/28/655440528.db2.gz XVXQLUCJYARBID-UHFFFAOYSA-N 1 0 378.539 1.102 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1=O ZINC000822579912 655447581 /nfs/dbraw/zinc/44/75/81/655447581.db2.gz BYQYLDNRSUODGF-UHFFFAOYSA-N 1 0 398.301 1.475 20 0 GDADRO CC(C)(C)S(=O)(=O)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846143929 655448767 /nfs/dbraw/zinc/44/87/67/655448767.db2.gz BAKJSYJRYYNSPQ-ZNMIVQPWSA-N 1 0 375.535 1.128 20 0 GDADRO CCn1ncc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1Br ZINC000822684728 655449483 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1.209 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823722802 655467175 /nfs/dbraw/zinc/46/71/75/655467175.db2.gz DIVXXROCGZMUIE-CXAGYDPISA-N 1 0 375.535 1.551 20 0 GDADRO C[C@@H]1C[C@H](C[NH2+]CCN2CCCS2(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823825363 655468591 /nfs/dbraw/zinc/46/85/91/655468591.db2.gz LKZFJTSGJKCZPI-HUUCEWRRSA-N 1 0 375.535 1.647 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)cnc2C2CC2)CC1=O ZINC000823864388 655468989 /nfs/dbraw/zinc/46/89/89/655468989.db2.gz LAZRWUWJSBYYKV-UHFFFAOYSA-N 1 0 395.301 1.568 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)N(CCO)C2CC[NH+](C)CC2)n1 ZINC000824157602 655472020 /nfs/dbraw/zinc/47/20/20/655472020.db2.gz IKJNEYLQDNAURR-UHFFFAOYSA-N 1 0 385.306 1.891 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cc2c1OCCO2 ZINC000824734426 655479737 /nfs/dbraw/zinc/47/97/37/655479737.db2.gz YFCCHHLYFMRASC-CHWSQXEVSA-N 1 0 397.269 1.813 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000824741534 655479920 /nfs/dbraw/zinc/47/99/20/655479920.db2.gz UBEBQOIHKNTCBD-MNOVXSKESA-N 1 0 395.257 1.624 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000824772414 655480242 /nfs/dbraw/zinc/48/02/42/655480242.db2.gz IYIBLTIOJIUGRF-AWEZNQCLSA-N 1 0 383.290 1.563 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824897410 655481996 /nfs/dbraw/zinc/48/19/96/655481996.db2.gz WVWXOXJQCBTGOC-GJZGRUSLSA-N 1 0 376.519 1.616 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cn(-c2ccccc2Br)nn1 ZINC000825182832 655485293 /nfs/dbraw/zinc/48/52/93/655485293.db2.gz BOGWXFTZOHMLDK-NSHDSACASA-N 1 0 380.246 1.138 20 0 GDADRO [NH3+]C[C@H](NC(=O)c1cccn2c(I)cnc12)C(F)(F)F ZINC000848437335 655489839 /nfs/dbraw/zinc/48/98/39/655489839.db2.gz IFAUAJTVCKHQKL-ZETCQYMHSA-N 1 0 398.126 1.558 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1=O ZINC000825493505 655490204 /nfs/dbraw/zinc/49/02/04/655490204.db2.gz XNTIDQVNNJMBHM-UHFFFAOYSA-N 1 0 384.274 1.085 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C2(n3cc(Br)cn3)CC2)CCO1 ZINC000826696656 655500136 /nfs/dbraw/zinc/50/01/36/655500136.db2.gz XYTDBBJRRPDJIN-CQSZACIVSA-N 1 0 385.306 1.704 20 0 GDADRO Cn1nc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1Br ZINC000827064981 655504828 /nfs/dbraw/zinc/50/48/28/655504828.db2.gz YWIPEKFUAPXJAI-KGLIPLIRSA-N 1 0 385.306 1.680 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c(Br)nc2n1CCC2 ZINC000827350906 655509421 /nfs/dbraw/zinc/50/94/21/655509421.db2.gz YFQDULRVKSLMBJ-LBPRGKRZSA-N 1 0 385.306 1.559 20 0 GDADRO CC(C)C[C@H](NC(=O)c1sc(N(C)C)nc1Cl)C(=O)NCC[NH+](C)C ZINC000827446818 655511390 /nfs/dbraw/zinc/51/13/90/655511390.db2.gz JYICQZIKTNBYBS-NSHDSACASA-N 1 0 389.953 1.685 20 0 GDADRO CCN(CCCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1)S(C)(=O)=O ZINC000827468864 655511879 /nfs/dbraw/zinc/51/18/79/655511879.db2.gz FKQUAJUBIBSENO-CYBMUJFWSA-N 1 0 376.910 1.221 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000827560783 655513211 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20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000850592034 655559567 /nfs/dbraw/zinc/55/95/67/655559567.db2.gz FRXONLDBHAAMPX-UHFFFAOYSA-N 1 0 389.271 1.266 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)ccc1Br ZINC000850593129 655559738 /nfs/dbraw/zinc/55/97/38/655559738.db2.gz HKANQJQPUYHFCK-CYBMUJFWSA-N 1 0 393.303 1.887 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850825665 655569144 /nfs/dbraw/zinc/56/91/44/655569144.db2.gz ZHECMBOWYAFLAI-IUCAKERBSA-N 1 0 382.877 1.392 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000850825495 655569155 /nfs/dbraw/zinc/56/91/55/655569155.db2.gz XJNDTQZDPHCUAD-DTWKUNHWSA-N 1 0 382.877 1.379 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)CCCC1 ZINC000850842386 655569810 /nfs/dbraw/zinc/56/98/10/655569810.db2.gz UXFXQWGFRRIEII-UHFFFAOYSA-N 1 0 398.257 1.547 20 0 GDADRO C[C@]12CCN(C(=O)NCC3C[NH2+]C3)C[C@H]1C2(Br)Br ZINC000851662860 655590083 /nfs/dbraw/zinc/59/00/83/655590083.db2.gz MCJCDZWFDRTPRE-KOLCDFICSA-N 1 0 381.112 1.743 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000851691415 655590627 /nfs/dbraw/zinc/59/06/27/655590627.db2.gz IATSRVYDWBEHTN-SECBINFHSA-N 1 0 388.693 1.711 20 0 GDADRO CCCS(=O)(=O)NC1CC[NH+](C[C@@H](O)P(=O)(OCC)OCC)CC1 ZINC000851727202 655592760 /nfs/dbraw/zinc/59/27/60/655592760.db2.gz GJTUKZMDZNPKDS-AWEZNQCLSA-N 1 0 386.451 1.365 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CCO1 ZINC000851886826 655602606 /nfs/dbraw/zinc/60/26/06/655602606.db2.gz SQGBZUSLMLNEQU-ZDUSSCGKSA-N 1 0 386.905 1.719 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCCC2SCCS2)CC1 ZINC000852016746 655605843 /nfs/dbraw/zinc/60/58/43/655605843.db2.gz KHOFOKQXZQVBTE-UHFFFAOYSA-N 1 0 381.571 1.829 20 0 GDADRO CCCCCC[C@@](O)(C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1)C(=O)OC ZINC000852038636 655606460 /nfs/dbraw/zinc/60/64/60/655606460.db2.gz QBZOONYOCVJSKS-DOTOQJQBSA-N 1 0 378.535 1.217 20 0 GDADRO Cn1cc([C@H]2C[N@H+](CCn3cnc(Br)n3)CC23CCOCC3)cn1 ZINC000852120973 655608070 /nfs/dbraw/zinc/60/80/70/655608070.db2.gz FGMPCKBZYUCKQG-CQSZACIVSA-N 1 0 395.305 1.670 20 0 GDADRO C[C@H]1CCC[C@@](CNC(=O)NCCS(=O)(=O)CC(F)(F)F)([NH+](C)C)C1 ZINC000852187014 655609772 /nfs/dbraw/zinc/60/97/72/655609772.db2.gz JTZVDVLTYQKREE-GXTWGEPZSA-N 1 0 387.468 1.773 20 0 GDADRO C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307808 655611941 /nfs/dbraw/zinc/61/19/41/655611941.db2.gz ISESBIRSPZHWGJ-CQSZACIVSA-N 1 0 377.551 1.893 20 0 GDADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852787107 655622597 /nfs/dbraw/zinc/62/25/97/655622597.db2.gz ONZOURNIFXXZPG-HNNXBMFYSA-N 1 0 396.285 1.615 20 0 GDADRO C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2I)CC[NH2+]1 ZINC000852797095 655622931 /nfs/dbraw/zinc/62/29/31/655622931.db2.gz KINUITOBWDZXHK-NSHDSACASA-N 1 0 396.232 1.911 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)=NO1 ZINC000852809214 655623189 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Cc1nn(C)c(Br)c1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000852890757 655625404 /nfs/dbraw/zinc/62/54/04/655625404.db2.gz LUYCYIJDSQLLDN-UHFFFAOYSA-N 1 0 384.322 1.437 20 0 GDADRO O=C(NCCS(=O)(=O)CCc1ccccc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852891338 655625431 /nfs/dbraw/zinc/62/54/31/655625431.db2.gz QIIHZEIXARFIQF-HNNXBMFYSA-N 1 0 378.416 1.302 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000852896951 655625636 /nfs/dbraw/zinc/62/56/36/655625636.db2.gz KDLNAYIJPHTKIJ-JHJVBQTASA-N 1 0 385.306 1.992 20 0 GDADRO O=C([C@@H]1CSCCS1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852931134 655628761 /nfs/dbraw/zinc/62/87/61/655628761.db2.gz UOSYTAVTSSIXSV-ZFWWWQNUSA-N 1 0 381.571 1.374 20 0 GDADRO COC(=O)N(C)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000853119871 655633021 /nfs/dbraw/zinc/63/30/21/655633021.db2.gz ZVVSHLSHXORRPM-UHFFFAOYSA-N 1 0 379.276 1.511 20 0 GDADRO CN1C(=S)N=NC1CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000853235106 655637144 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CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000858499151 655748731 /nfs/dbraw/zinc/74/87/31/655748731.db2.gz YYINSGKWDWHKGA-REWJHTLYSA-N 1 0 382.473 1.804 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)c(Br)o1 ZINC000858614612 655750433 /nfs/dbraw/zinc/75/04/33/655750433.db2.gz AQHRJUMBHMASER-VIFPVBQESA-N 1 0 395.275 1.447 20 0 GDADRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858617136 655750586 /nfs/dbraw/zinc/75/05/86/655750586.db2.gz XPPRZXPVJWTZQG-ZDUSSCGKSA-N 1 0 379.404 1.806 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(S(=O)(=O)c2sccc2Cl)CC1 ZINC000858617646 655750640 /nfs/dbraw/zinc/75/06/40/655750640.db2.gz HIDOIYYDAWGRPE-NEPJUHHUSA-N 1 0 391.902 1.347 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)/C=C/c2ccccc2Br)CCOCC1 ZINC000858622704 655750863 /nfs/dbraw/zinc/75/08/63/655750863.db2.gz JQVJBAQYFHAZMA-BJMVGYQFSA-N 1 0 375.288 1.847 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000858938552 655756673 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C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000861538688 655825286 /nfs/dbraw/zinc/82/52/86/655825286.db2.gz FGANBULVMPZYPD-SSDOTTSWSA-N 1 0 393.079 1.956 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000861541726 655825392 /nfs/dbraw/zinc/82/53/92/655825392.db2.gz GNILHNFRNZYELY-NSHDSACASA-N 1 0 394.273 1.438 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(F)cc1I ZINC000861542304 655825531 /nfs/dbraw/zinc/82/55/31/655825531.db2.gz NQASUIMBUHMMBE-ZETCQYMHSA-N 1 0 379.173 1.174 20 0 GDADRO COc1cc(I)ccc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861543717 655825742 /nfs/dbraw/zinc/82/57/42/655825742.db2.gz FSPDUCVDHBCBAE-MRVPVSSYSA-N 1 0 391.209 1.044 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N(C)C[C@@H](C)[NH3+])C2=O)ccc1Br ZINC000861617780 655827075 /nfs/dbraw/zinc/82/70/75/655827075.db2.gz NDRSWYXSWLWCDA-BXUZGUMPSA-N 1 0 383.290 1.851 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)NCCOc1ccc(I)cc1 ZINC000861630141 655827386 /nfs/dbraw/zinc/82/73/86/655827386.db2.gz PJQRVEPAPWUQNA-JTQLQIEISA-N 1 0 377.226 1.659 20 0 GDADRO C[C@@]1(CCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[C@]1(F)Cl ZINC000861648123 655827527 /nfs/dbraw/zinc/82/75/27/655827527.db2.gz NFJDZGHAYVZKED-HZPDHXFCSA-N 1 0 375.876 1.044 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000861740270 655829680 /nfs/dbraw/zinc/82/96/80/655829680.db2.gz OVTJSECYBSSKFY-STQMWFEESA-N 1 0 397.317 1.197 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000861772010 655830331 /nfs/dbraw/zinc/83/03/31/655830331.db2.gz NEAIVDBEVDZQTI-XPTSAGLGSA-N 1 0 386.265 1.961 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862369525 655845347 /nfs/dbraw/zinc/84/53/47/655845347.db2.gz VTEMBZHSBMECAZ-SOUVJXGZSA-N 1 0 376.519 1.425 20 0 GDADRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862408420 655845979 /nfs/dbraw/zinc/84/59/79/655845979.db2.gz BWAIBKGQCQPGON-KARRYYGYSA-N 1 0 388.452 1.911 20 0 GDADRO Cn1ncc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1I ZINC000863032637 655860343 /nfs/dbraw/zinc/86/03/43/655860343.db2.gz QGDVPGHNPJUNMS-LLVKDONJSA-N 1 0 388.253 1.771 20 0 GDADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000863492375 655874382 /nfs/dbraw/zinc/87/43/82/655874382.db2.gz UNICLVLCMOIXLW-UHFFFAOYSA-N 1 0 385.306 1.900 20 0 GDADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000863570393 655875972 /nfs/dbraw/zinc/87/59/72/655875972.db2.gz GGDNROGGVQRRLI-FUHWJXTLSA-N 1 0 399.329 1.688 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000863764009 655880427 /nfs/dbraw/zinc/88/04/27/655880427.db2.gz OERRUWROGBJHKZ-VHSXEESVSA-N 1 0 378.420 1.674 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000864063374 655888742 /nfs/dbraw/zinc/88/87/42/655888742.db2.gz JUNFOXSEXBSKJO-VHSXEESVSA-N 1 0 376.242 1.483 20 0 GDADRO O=C(Nc1cccc(Br)c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000864620695 655903468 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CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000866573155 655950031 /nfs/dbraw/zinc/95/00/31/655950031.db2.gz UDYAHQCTBBGUEM-HNNXBMFYSA-N 1 0 375.535 1.791 20 0 GDADRO CC1(C)CC[NH2+]CCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000866700329 655955213 /nfs/dbraw/zinc/95/52/13/655955213.db2.gz ZLQMYDQUOJFVAU-UHFFFAOYSA-N 1 0 397.317 1.578 20 0 GDADRO C[C@]1(CS(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1(Cl)Cl ZINC000866738477 655957644 /nfs/dbraw/zinc/95/76/44/655957644.db2.gz ZWIUCAORVOWLKD-GXTWGEPZSA-N 1 0 398.356 1.044 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000866752622 655959097 /nfs/dbraw/zinc/95/90/97/655959097.db2.gz UIZBRMVBSZAKKW-AWEZNQCLSA-N 1 0 381.420 1.257 20 0 GDADRO Cn1ncc(S(=O)(=O)N(CCC[NH3+])Cc2ccccc2)c1C(F)(F)F ZINC000866759611 655959642 /nfs/dbraw/zinc/95/96/42/655959642.db2.gz VHPQDCRVERZMEH-UHFFFAOYSA-N 1 0 376.404 1.979 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000866762156 655959988 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ZINC000866874248 655972622 /nfs/dbraw/zinc/97/26/22/655972622.db2.gz NFOIQAHDNKSDSR-ZIAGYGMSSA-N 1 0 386.389 1.763 20 0 GDADRO Cn1ncc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c1Br ZINC000866917505 655976917 /nfs/dbraw/zinc/97/69/17/655976917.db2.gz BFJHENSUMBJJKQ-UHFFFAOYSA-N 1 0 391.335 1.868 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(Br)ncc1Br ZINC000866921304 655977484 /nfs/dbraw/zinc/97/74/84/655977484.db2.gz PVIPZGCQQAQCBC-GFCCVEGCSA-N 1 0 395.095 1.649 20 0 GDADRO C[NH+](C)CC1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000867035499 655989794 /nfs/dbraw/zinc/98/97/94/655989794.db2.gz LRIVQJWFYOIZCW-QHCPKHFHSA-N 1 0 377.507 1.801 20 0 GDADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000867307562 656035071 /nfs/dbraw/zinc/03/50/71/656035071.db2.gz BCWFWWIMPXNWTM-UKRRQHHQSA-N 1 0 375.535 1.740 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000867373686 656048310 /nfs/dbraw/zinc/04/83/10/656048310.db2.gz QCOXTACISGHYJL-HNNXBMFYSA-N 1 0 375.535 1.598 20 0 GDADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 ZINC000867618524 656094577 /nfs/dbraw/zinc/09/45/77/656094577.db2.gz DEJUCCPMGBMKGA-UHFFFAOYSA-N 1 0 386.539 1.587 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000867621253 656094802 /nfs/dbraw/zinc/09/48/02/656094802.db2.gz XTVLWYRDQWDAGS-UHFFFAOYSA-N 1 0 380.436 1.935 20 0 GDADRO Cc1nc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(Br)n1C ZINC000867809519 656119784 /nfs/dbraw/zinc/11/97/84/656119784.db2.gz SGQLXIGIXYFYAZ-WDEREUQCSA-N 1 0 377.308 1.206 20 0 GDADRO COc1cc(I)ccc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000868062496 656139191 /nfs/dbraw/zinc/13/91/91/656139191.db2.gz SKLBHRKCQTZHRQ-QWRGUYRKSA-N 1 0 386.233 1.981 20 0 GDADRO C[C@]1([NH3+])CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000868075422 656139657 /nfs/dbraw/zinc/13/96/57/656139657.db2.gz IPNUOUUTYGEXRW-HNNXBMFYSA-N 1 0 385.536 1.851 20 0 GDADRO O=C(Nc1ccc(Br)c(Br)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000868245126 656145727 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COC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1cccc(Br)c1 ZINC000868385699 656153255 /nfs/dbraw/zinc/15/32/55/656153255.db2.gz XGLAMDLTEAFTPY-FZMZJTMJSA-N 1 0 384.274 1.073 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1cccc(Br)c1 ZINC000868520829 656159110 /nfs/dbraw/zinc/15/91/10/656159110.db2.gz OMZHAYCDSWNDKC-BPUTZDHNSA-N 1 0 380.286 1.789 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)cn2ccnc12 ZINC000869081246 656178890 /nfs/dbraw/zinc/17/88/90/656178890.db2.gz JKDVBEGOAAGGLA-LLVKDONJSA-N 1 0 394.273 1.289 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC000869777803 656207255 /nfs/dbraw/zinc/20/72/55/656207255.db2.gz VUHSVJXQFFTZOB-NSHDSACASA-N 1 0 381.274 1.900 20 0 GDADRO Cc1nc(CN2CCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2)no1 ZINC000870882559 656251640 /nfs/dbraw/zinc/25/16/40/656251640.db2.gz GBJSHVHRIAWDBJ-OAHLLOKOSA-N 1 0 394.273 1.485 20 0 GDADRO CC(C)n1ncc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1I ZINC000870913500 656255001 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[NH3+][C@H]1C[C@H](CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 ZINC000870969792 656259290 /nfs/dbraw/zinc/25/92/90/656259290.db2.gz ONYRGBIPUGCABA-UMSPYCQHSA-N 1 0 382.258 1.418 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974269 656259450 /nfs/dbraw/zinc/25/94/50/656259450.db2.gz LKUWWEDCWCLXKN-SHHSBJBSSA-N 1 0 380.286 1.826 20 0 GDADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000870989579 656259663 /nfs/dbraw/zinc/25/96/63/656259663.db2.gz LJHIBQGAYKWELI-OAHLLOKOSA-N 1 0 393.962 1.903 20 0 GDADRO Nc1c(Cl)cc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Cl ZINC000870998691 656259785 /nfs/dbraw/zinc/25/97/85/656259785.db2.gz GFSOKPLJLKROKR-BIMULSAOSA-N 1 0 385.251 1.583 20 0 GDADRO C[C@@H](CC(=O)NCc1c(I)cnn1C)C1CC[NH2+]CC1 ZINC000871020226 656260428 /nfs/dbraw/zinc/26/04/28/656260428.db2.gz QCEUKNRGBGYQMB-JTQLQIEISA-N 1 0 390.269 1.667 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871811982 656281236 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383.436 1.196 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)ccc1F ZINC000876676050 656623453 /nfs/dbraw/zinc/62/34/53/656623453.db2.gz JKIJOHZAYWYDIC-IINYFYTJSA-N 1 0 375.441 1.789 20 0 GDADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000876910789 656639196 /nfs/dbraw/zinc/63/91/96/656639196.db2.gz MLUHLWLZTBUJDY-GCLPIYDQSA-N 1 0 389.880 1.429 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000876956230 656642511 /nfs/dbraw/zinc/64/25/11/656642511.db2.gz HGQSVPNYDUNKAI-CQSZACIVSA-N 1 0 382.302 1.849 20 0 GDADRO COC[C@@]1(C(=O)N2CCN(c3ccc(Br)cc3)CC2)C[NH2+]CCO1 ZINC000876965322 656642977 /nfs/dbraw/zinc/64/29/77/656642977.db2.gz BPASNQYBNFFVHK-QGZVFWFLSA-N 1 0 398.301 1.103 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C23CCC3)ccc1Cl ZINC000877002798 656645262 /nfs/dbraw/zinc/64/52/62/656645262.db2.gz ZTUDDDBRQLVOJC-AWEZNQCLSA-N 1 0 387.889 1.536 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1cc2nc(Cl)ccc2s1)N1CCOCC1 ZINC000877022480 656646731 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CCOC(=O)N1CCC(C)(C[NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000877115832 656654253 /nfs/dbraw/zinc/65/42/53/656654253.db2.gz SWZPFPLONPDAJM-UHFFFAOYSA-N 1 0 389.543 1.875 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1Br ZINC000877131158 656655809 /nfs/dbraw/zinc/65/58/09/656655809.db2.gz VRJRKPJPUCZGOW-DOMZBBRYSA-N 1 0 399.285 1.961 20 0 GDADRO [NH3+][C@H](CCNC(=O)Cn1ccc(Br)cc1=O)Cc1ccccc1 ZINC000877160495 656656859 /nfs/dbraw/zinc/65/68/59/656656859.db2.gz YMQGCTONIQHSJY-OAHLLOKOSA-N 1 0 378.270 1.687 20 0 GDADRO COc1ccc(OC)c2sc(NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)nc21 ZINC000877269995 656662922 /nfs/dbraw/zinc/66/29/22/656662922.db2.gz OWALNJGKPPVRDE-RUZDIDTESA-N 1 0 383.495 1.753 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000877291633 656664510 /nfs/dbraw/zinc/66/45/10/656664510.db2.gz KYTFMDUTNRMDDD-USWWRNFRSA-N 1 0 388.253 1.562 20 0 GDADRO O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877297309 656665636 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COc1ncc(Br)cc1C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000877654316 656686162 /nfs/dbraw/zinc/68/61/62/656686162.db2.gz ORTAKIPGKYRKMY-CHWSQXEVSA-N 1 0 392.319 1.803 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CCN(OC)CC2)s1 ZINC000924946074 656687961 /nfs/dbraw/zinc/68/79/61/656687961.db2.gz KREDQONNQGTEBH-UHFFFAOYSA-N 1 0 375.560 1.937 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCCN(CC(F)(F)F)CC1 ZINC000925145885 656695769 /nfs/dbraw/zinc/69/57/69/656695769.db2.gz VPGRLBRBJGYGCZ-ZIAGYGMSSA-N 1 0 380.480 1.846 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)CC[N@@H+]1C ZINC000925334061 656705836 /nfs/dbraw/zinc/70/58/36/656705836.db2.gz IOALVZQILNBLNL-IOASZLSFSA-N 1 0 384.318 1.992 20 0 GDADRO C[C@@H]1[C@H](NC(=O)NC[C@@H](O)COc2ccccc2Br)CC[N@@H+]1C ZINC000925333047 656705855 /nfs/dbraw/zinc/70/58/55/656705855.db2.gz YXQZWXLSHAAAEY-YRGRVCCFSA-N 1 0 386.290 1.581 20 0 GDADRO Cn1ncc(Br)c1CC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000878134189 656708409 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GDADRO CC1(C)[NH2+]CC[C@H]1NC[C@H](O)COc1ccc(I)cc1 ZINC000925566135 656714852 /nfs/dbraw/zinc/71/48/52/656714852.db2.gz DVKGHOGQPUPARB-GXTWGEPZSA-N 1 0 390.265 1.761 20 0 GDADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccccc2I)C1 ZINC000925895964 656725105 /nfs/dbraw/zinc/72/51/05/656725105.db2.gz FHIARNUMFFXCEF-CYBMUJFWSA-N 1 0 375.210 1.609 20 0 GDADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878505074 656728339 /nfs/dbraw/zinc/72/83/39/656728339.db2.gz APMVXESRZLCFJJ-HOTGVXAUSA-N 1 0 376.563 1.953 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000926055888 656732457 /nfs/dbraw/zinc/73/24/57/656732457.db2.gz IZYDVLDPGBMXKD-NSHDSACASA-N 1 0 397.273 1.959 20 0 GDADRO O=C(NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)Nc1ccncc1Br ZINC000926083289 656734688 /nfs/dbraw/zinc/73/46/88/656734688.db2.gz MXEYISUJCRWUAA-JTQLQIEISA-N 1 0 383.246 1.073 20 0 GDADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000926080454 656734755 /nfs/dbraw/zinc/73/47/55/656734755.db2.gz 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[NH3+]CC[C@H](NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)C(F)F ZINC000884297714 657343535 /nfs/dbraw/zinc/34/35/35/657343535.db2.gz WEHOXPGCNFVJNF-WDEREUQCSA-N 1 0 377.185 1.629 20 0 GDADRO O=C(CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)Nc1ccc(Br)cn1 ZINC000934260500 657349344 /nfs/dbraw/zinc/34/93/44/657349344.db2.gz AHNMEOJHQXLGAU-ZIAGYGMSSA-N 1 0 383.290 1.314 20 0 GDADRO CC1(C)[C@H](NC(=O)CCn2cnc3ccc(Br)cc3c2=O)C[C@@H]1[NH3+] ZINC000884349708 657349470 /nfs/dbraw/zinc/34/94/70/657349470.db2.gz CKPNMVQNUSMWNZ-UONOGXRCSA-N 1 0 393.285 1.791 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3nn4c(c3Br)CCC4)C2)C1 ZINC000884382402 657351829 /nfs/dbraw/zinc/35/18/29/657351829.db2.gz ILJJOVLZZNEDPZ-SCRDCRAPSA-N 1 0 397.317 1.950 20 0 GDADRO COc1ccc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c(Cl)n1 ZINC000934307508 657351890 /nfs/dbraw/zinc/35/18/90/657351890.db2.gz MARPAZFFXKEQLR-GFCCVEGCSA-N 1 0 389.905 1.325 20 0 GDADRO C[N@H+](C[C@H](O)CN1CCn2c(c(Br)nc2C(F)(F)F)C1)C1CC1 ZINC000934325310 657353209 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C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Br)cn3ncnc23)C1 ZINC000935678818 657466503 /nfs/dbraw/zinc/46/65/03/657466503.db2.gz GHBRBHBBIJBBJO-HNNXBMFYSA-N 1 0 382.262 1.021 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000935681888 657467036 /nfs/dbraw/zinc/46/70/36/657467036.db2.gz YHJVHOWBCAULAY-KRWDZBQOSA-N 1 0 393.285 1.921 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cnn2cccc(Br)c12 ZINC000935780787 657484517 /nfs/dbraw/zinc/48/45/17/657484517.db2.gz RMNCWQCZGGLXAB-LBPRGKRZSA-N 1 0 383.290 1.919 20 0 GDADRO CC(C)(C)[NH2+]CCC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000935796158 657487628 /nfs/dbraw/zinc/48/76/28/657487628.db2.gz PJNDQAHSTMGYAX-UHFFFAOYSA-N 1 0 375.922 1.903 20 0 GDADRO O=C(N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1(n2cc(Br)cn2)CC1 ZINC000935838775 657497230 /nfs/dbraw/zinc/49/72/30/657497230.db2.gz BVIMDCURPGBZNC-AWEZNQCLSA-N 1 0 397.317 1.706 20 0 GDADRO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cnc1Br ZINC000885883063 657583063 /nfs/dbraw/zinc/58/30/63/657583063.db2.gz NCJPBFRRZKXJQL-CYBMUJFWSA-N 1 0 384.274 1.836 20 0 GDADRO C[NH+](C)CCCCC(=O)N1CCn2ncc(I)c2C1 ZINC000886199589 657613966 /nfs/dbraw/zinc/61/39/66/657613966.db2.gz BOAOADJWMFBVSR-UHFFFAOYSA-N 1 0 376.242 1.562 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](CO)([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000886428566 657658218 /nfs/dbraw/zinc/65/82/18/657658218.db2.gz COYCYTOYQSGVOS-PBHICJAKSA-N 1 0 376.519 1.163 20 0 GDADRO OCCOCC1(O)CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000886737131 657687879 /nfs/dbraw/zinc/68/78/79/657687879.db2.gz UBQWBTJOYRBOOI-ZDUSSCGKSA-N 1 0 394.295 1.569 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2scnc2Cl)C1 ZINC001004362772 657716555 /nfs/dbraw/zinc/71/65/55/657716555.db2.gz VMRHIQXCSHCYFL-LOWDOPEQSA-N 1 0 382.917 2.000 20 0 GDADRO Cc1cc(Br)ccc1CS(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000886886560 657717519 /nfs/dbraw/zinc/71/75/19/657717519.db2.gz LHDLTBFSXRWOKQ-CQSZACIVSA-N 1 0 377.304 1.555 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 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1.988 20 0 GDADRO COC(=O)c1csc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1C ZINC000887035770 657741369 /nfs/dbraw/zinc/74/13/69/657741369.db2.gz XARAJVIONRRIOV-SECBINFHSA-N 1 0 375.397 1.143 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887041348 657741933 /nfs/dbraw/zinc/74/19/33/657741933.db2.gz XZRMRWLBRREQID-INIZCTEOSA-N 1 0 381.274 1.775 20 0 GDADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000887077303 657752260 /nfs/dbraw/zinc/75/22/60/657752260.db2.gz IZSBDVLYKYOORG-HUUCEWRRSA-N 1 0 381.929 1.839 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c(cc3Br)NC(=O)CO4)C[C@]2(C)C1 ZINC000887929118 657849421 /nfs/dbraw/zinc/84/94/21/657849421.db2.gz JVDNWCKPKGSCGT-QGHHPUGFSA-N 1 0 394.269 1.804 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)C[C@]2(C)C1 ZINC000887932004 657849607 /nfs/dbraw/zinc/84/96/07/657849607.db2.gz QWGSCHQWHFFZKV-BZNIZROVSA-N 1 0 391.273 1.449 20 0 GDADRO COc1ccc(Sc2nsc(NC(=O)NCC[N@H+](C)CCO)n2)cc1 ZINC000888150272 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O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000901134767 659195432 /nfs/dbraw/zinc/19/54/32/659195432.db2.gz NMLXKUMOVCWDMC-LBPRGKRZSA-N 1 0 389.283 1.081 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000901147567 659196637 /nfs/dbraw/zinc/19/66/37/659196637.db2.gz QNTPRNZMEPFOBQ-GFCCVEGCSA-N 1 0 389.283 1.033 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000901273046 659206895 /nfs/dbraw/zinc/20/68/95/659206895.db2.gz NMQOSOZDKVQXAF-KGLIPLIRSA-N 1 0 398.349 1.764 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000902235537 659249111 /nfs/dbraw/zinc/24/91/11/659249111.db2.gz YDFBTMQXCGEIFX-UHFFFAOYSA-N 1 0 388.921 1.345 20 0 GDADRO C[NH+](C)CCn1cc(NS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)ccc1=O ZINC000903101773 659294781 /nfs/dbraw/zinc/29/47/81/659294781.db2.gz IPPAQZSDCVLIEE-ZDUSSCGKSA-N 1 0 382.313 1.736 20 0 GDADRO O=S(=O)(NCC[NH2+][C@@H]1CCO[C@@]12CCOC2)c1ccc(Cl)cc1F ZINC000903168216 659298549 /nfs/dbraw/zinc/29/85/49/659298549.db2.gz UVAAPAQCRMAKSG-HUUCEWRRSA-N 1 0 378.853 1.295 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CCC1 ZINC000903189231 659299980 /nfs/dbraw/zinc/29/99/80/659299980.db2.gz SZAWFPFQQPCARJ-UONOGXRCSA-N 1 0 380.576 1.572 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903192171 659299991 /nfs/dbraw/zinc/29/99/91/659299991.db2.gz KJLDKXFCTKNYAC-BXKDBHETSA-N 1 0 378.372 1.778 20 0 GDADRO C[C@H]1CCC[C@H]([NH+]2CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC2)C1 ZINC000903230097 659308202 /nfs/dbraw/zinc/30/82/02/659308202.db2.gz VIFRFDOXJOQZNB-HOCLYGCPSA-N 1 0 379.592 1.677 20 0 GDADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000903267202 659311418 /nfs/dbraw/zinc/31/14/18/659311418.db2.gz BNVOOBWPPTZNLP-GBJTYRQASA-N 1 0 376.519 1.566 20 0 GDADRO CN1CCOC[C@@]1(CO)C[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000903279763 659311920 /nfs/dbraw/zinc/31/19/20/659311920.db2.gz RZRQWHVLDFIOMI-OCCSQVGLSA-N 1 0 376.320 1.639 20 0 GDADRO C[C@@H]1CN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C[C@H]1CC[NH3+] ZINC000903496445 659319117 /nfs/dbraw/zinc/31/91/17/659319117.db2.gz OANNAEFFTSDQPT-VXGBXAGGSA-N 1 0 375.441 1.538 20 0 GDADRO [NH3+]CC1(CCNS(=O)(=O)c2ccc(I)s2)CC1 ZINC000903508197 659320300 /nfs/dbraw/zinc/32/03/00/659320300.db2.gz YEGIPXUKBHWION-UHFFFAOYSA-N 1 0 386.280 1.760 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(I)s2)CC[C@H]1F ZINC000903509269 659320317 /nfs/dbraw/zinc/32/03/17/659320317.db2.gz HFMDAXIELVYMHX-RNFRBKRXSA-N 1 0 390.243 1.413 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)c1F ZINC000903509926 659320863 /nfs/dbraw/zinc/32/08/63/659320863.db2.gz DGTAZQDGPMOWHO-VIFPVBQESA-N 1 0 381.267 1.956 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c1F ZINC000903511099 659321660 /nfs/dbraw/zinc/32/16/60/659321660.db2.gz OMOUZMJUNRXSPO-VIFPVBQESA-N 1 0 381.267 1.875 20 0 GDADRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903513245 659322481 /nfs/dbraw/zinc/32/24/81/659322481.db2.gz ZQNFYQMFWQTBHQ-LLVKDONJSA-N 1 0 391.287 1.821 20 0 GDADRO CN(C1CC([NH3+])C1)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903521556 659327678 /nfs/dbraw/zinc/32/76/78/659327678.db2.gz BKJFSYDIQLSTAD-UHFFFAOYSA-N 1 0 377.260 1.429 20 0 GDADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CC[NH2+]CCC12CCOCC2 ZINC000903549377 659337817 /nfs/dbraw/zinc/33/78/17/659337817.db2.gz BTWBGVYNLATHKM-UHFFFAOYSA-N 1 0 384.889 1.750 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[NH2+]CCC23CCOCC3)cnc1Cl ZINC000903549200 659337841 /nfs/dbraw/zinc/33/78/41/659337841.db2.gz GBPICDCNSNYNAV-UHFFFAOYSA-N 1 0 375.878 1.277 20 0 GDADRO CC1(C)CN(CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1[NH3+] ZINC000903552308 659338962 /nfs/dbraw/zinc/33/89/62/659338962.db2.gz LVKMHKYLXOTVOF-CYBMUJFWSA-N 1 0 383.290 1.173 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000903554452 659339470 /nfs/dbraw/zinc/33/94/70/659339470.db2.gz QTCPOTIFFYFLNZ-LBPRGKRZSA-N 1 0 391.287 1.512 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903562922 659342045 /nfs/dbraw/zinc/34/20/45/659342045.db2.gz LOVQMUVBFWKZSF-JIMOISOXSA-N 1 0 375.288 1.770 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NC[C@H]2CCCCC[NH2+]2)c(Cl)s1 ZINC000903568521 659343893 /nfs/dbraw/zinc/34/38/93/659343893.db2.gz YUECFYKGEYWRLJ-SECBINFHSA-N 1 0 386.948 1.616 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000903571285 659345117 /nfs/dbraw/zinc/34/51/17/659345117.db2.gz VSUKIZKGEIPOPQ-UMSPYCQHSA-N 1 0 393.303 1.490 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@H]1C(F)(F)F ZINC000903573210 659345587 /nfs/dbraw/zinc/34/55/87/659345587.db2.gz RDLXSQIOXDBHRN-HTQZYQBOSA-N 1 0 378.294 1.937 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1F ZINC000903579973 659350873 /nfs/dbraw/zinc/35/08/73/659350873.db2.gz RKWSXJUDBMRZCH-PWSUYJOCSA-N 1 0 384.351 1.513 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CC[C@@H]1C(F)(F)F ZINC000903580352 659351206 /nfs/dbraw/zinc/35/12/06/659351206.db2.gz UHLGHKBQWKMCBY-BQBZGAKWSA-N 1 0 388.824 1.949 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903581475 659352377 /nfs/dbraw/zinc/35/23/77/659352377.db2.gz MOVMAWQKHRQVHV-BQBZGAKWSA-N 1 0 380.314 1.339 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)ccc1Br ZINC000903583947 659353118 /nfs/dbraw/zinc/35/31/18/659353118.db2.gz GADZCVXJLIKHJA-LBPRGKRZSA-N 1 0 391.287 1.594 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c1OC ZINC000903584207 659353254 /nfs/dbraw/zinc/35/32/54/659353254.db2.gz IZPFHYJKMAEHLY-QFYYESIMSA-N 1 0 388.873 1.637 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000903584516 659353609 /nfs/dbraw/zinc/35/36/09/659353609.db2.gz NDLXVKDGAGADNW-GFCCVEGCSA-N 1 0 391.287 1.594 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000903586822 659354587 /nfs/dbraw/zinc/35/45/87/659354587.db2.gz KCAQYJJIRHMZSG-CYBMUJFWSA-N 1 0 387.571 1.811 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903593528 659357081 /nfs/dbraw/zinc/35/70/81/659357081.db2.gz OLDGZICSVVMKFP-MRXNPFEDSA-N 1 0 387.889 1.824 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cc1)C(F)(F)F ZINC000903593220 659357114 /nfs/dbraw/zinc/35/71/14/659357114.db2.gz LFWNPYWFWGPTEC-CQSZACIVSA-N 1 0 377.388 1.704 20 0 GDADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000903638253 659365768 /nfs/dbraw/zinc/36/57/68/659365768.db2.gz BRGMGYIYQRQCJR-IZHWHUGBSA-N 1 0 390.575 1.879 20 0 GDADRO [NH3+][C@H]1CN(C(=O)C(=O)N(Cc2cccs2)C2CC2)CC[C@H]1C(F)(F)F ZINC000903720453 659377819 /nfs/dbraw/zinc/37/78/19/659377819.db2.gz MZPLJEWIIPGDKX-OLZOCXBDSA-N 1 0 375.416 1.977 20 0 GDADRO COCCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903715837 659377833 /nfs/dbraw/zinc/37/78/33/659377833.db2.gz OFPGCOOGLKNDFM-VXGBXAGGSA-N 1 0 379.404 1.071 20 0 GDADRO O=C1NCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H]1c1cccc(Br)c1 ZINC000903755135 659378936 /nfs/dbraw/zinc/37/89/36/659378936.db2.gz BHXPNGYPJSDGKY-BQFCYCMXSA-N 1 0 394.313 1.691 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)CC[C@H]1C(F)(F)F ZINC000903787027 659380438 /nfs/dbraw/zinc/38/04/38/659380438.db2.gz HKLVWQJJGQUSIN-IWSPIJDZSA-N 1 0 393.353 1.231 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000903799635 659381153 /nfs/dbraw/zinc/38/11/53/659381153.db2.gz FZLGKNNBSGKZMV-CYBMUJFWSA-N 1 0 383.290 1.703 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903801560 659381744 /nfs/dbraw/zinc/38/17/44/659381744.db2.gz PIESOZFWFQTHJG-FZMZJTMJSA-N 1 0 381.274 1.315 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000903836078 659383406 /nfs/dbraw/zinc/38/34/06/659383406.db2.gz CMMGSDHYUKIRHE-ZDUSSCGKSA-N 1 0 390.347 1.779 20 0 GDADRO O=C(CNC(=O)CN1CCC[C@]12CC[NH2+]C2)Nc1ccccc1Br ZINC000903864071 659385213 /nfs/dbraw/zinc/38/52/13/659385213.db2.gz GUTIIWKRVIRTOW-QGZVFWFLSA-N 1 0 395.301 1.332 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@]1(F)CCS(=O)(=O)C1 ZINC000903957251 659389638 /nfs/dbraw/zinc/38/96/38/659389638.db2.gz KPOWGKXIJINHNG-MRXNPFEDSA-N 1 0 376.519 1.945 20 0 GDADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903970258 659391739 /nfs/dbraw/zinc/39/17/39/659391739.db2.gz SXWDVBMGSRZVCZ-BBRMVZONSA-N 1 0 376.469 1.975 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Br)o3)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000904112584 659396016 /nfs/dbraw/zinc/39/60/16/659396016.db2.gz ITEIMPVWMVMRES-XKSSXDPKSA-N 1 0 388.243 1.267 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000904406811 659400128 /nfs/dbraw/zinc/40/01/28/659400128.db2.gz IMQGCKGAILCUPI-NSHDSACASA-N 1 0 386.246 1.688 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000904537465 659403423 /nfs/dbraw/zinc/40/34/23/659403423.db2.gz JNTXAIQGAWQQIW-LLVKDONJSA-N 1 0 383.246 1.900 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905009730 659416880 /nfs/dbraw/zinc/41/68/80/659416880.db2.gz REFYRDHHOXTUCG-KSSFIOAISA-N 1 0 394.313 1.790 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905024345 659417728 /nfs/dbraw/zinc/41/77/28/659417728.db2.gz LMPUWEITEQHSSZ-BBRMVZONSA-N 1 0 387.274 1.188 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@H](O)C2(O)CCOCC2)cc1OC ZINC000905086160 659421807 /nfs/dbraw/zinc/42/18/07/659421807.db2.gz AMZSKODMPWRMPI-HNNXBMFYSA-N 1 0 390.274 1.458 20 0 GDADRO C[S@](=O)CC[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905099238 659423698 /nfs/dbraw/zinc/42/36/98/659423698.db2.gz ZOYTYVWBDHWMQQ-PWECECGKSA-N 1 0 378.416 1.135 20 0 GDADRO CN(CC[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)CC(F)(F)F ZINC000905107780 659424861 /nfs/dbraw/zinc/42/48/61/659424861.db2.gz BFHCRLNNDKJQIH-LBPRGKRZSA-N 1 0 389.484 1.072 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CC2(O)CCCCC2)c(C)s1 ZINC000905176027 659429817 /nfs/dbraw/zinc/42/98/17/659429817.db2.gz JSPKROBBRIPWSE-HNNXBMFYSA-N 1 0 390.571 1.679 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000905264040 659438300 /nfs/dbraw/zinc/43/83/00/659438300.db2.gz XTPQLAQDVQEOQP-DOMZBBRYSA-N 1 0 396.340 1.887 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000905264041 659438417 /nfs/dbraw/zinc/43/84/17/659438417.db2.gz XTPQLAQDVQEOQP-IUODEOHRSA-N 1 0 396.340 1.887 20 0 GDADRO O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1nc2ccc(Br)cn2n1 ZINC000905289720 659440594 /nfs/dbraw/zinc/44/05/94/659440594.db2.gz WGNRXUIIZVWMCQ-LBPRGKRZSA-N 1 0 394.273 1.380 20 0 GDADRO O=C1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCN1Cc1cccc(Cl)c1 ZINC000905343047 659444463 /nfs/dbraw/zinc/44/44/63/659444463.db2.gz MFPICXGVRBVTDB-UHFFFAOYSA-N 1 0 385.917 1.314 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000905353068 659445819 /nfs/dbraw/zinc/44/58/19/659445819.db2.gz BQGFLDKQDVRVIY-ZDUSSCGKSA-N 1 0 376.320 1.934 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCCC3)s1 ZINC000905354889 659446123 /nfs/dbraw/zinc/44/61/23/659446123.db2.gz YUPMDCKCYBZHQY-CYBMUJFWSA-N 1 0 387.527 1.600 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCOc2cc(Br)ccc2C1 ZINC000905362876 659447561 /nfs/dbraw/zinc/44/75/61/659447561.db2.gz XMGSMSDPMGLOMZ-UHFFFAOYSA-N 1 0 389.315 1.973 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905372038 659449048 /nfs/dbraw/zinc/44/90/48/659449048.db2.gz MVEBYLPRWSCUHN-WBMJQRKESA-N 1 0 388.302 1.474 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2nscc2I)CC1 ZINC000905377995 659449474 /nfs/dbraw/zinc/44/94/74/659449474.db2.gz BHYVDGXHORMCOG-UHFFFAOYSA-N 1 0 394.282 1.067 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000905433089 659453440 /nfs/dbraw/zinc/45/34/40/659453440.db2.gz UQBYVXFDUFFKSS-CYBMUJFWSA-N 1 0 376.544 1.466 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000905448639 659454005 /nfs/dbraw/zinc/45/40/05/659454005.db2.gz YESJFGICJKBCSC-GHMZBOCLSA-N 1 0 377.331 1.272 20 0 GDADRO O=C1NCCN1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000905480003 659457899 /nfs/dbraw/zinc/45/78/99/659457899.db2.gz BXPZPCKKCDBABX-LLVKDONJSA-N 1 0 392.681 1.457 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000905482474 659458100 /nfs/dbraw/zinc/45/81/00/659458100.db2.gz UPAJSSNQXREAFC-CQSZACIVSA-N 1 0 376.906 1.231 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCSC1 ZINC000905546950 659463491 /nfs/dbraw/zinc/46/34/91/659463491.db2.gz QJIBYBOTQFYZDC-HIFRSBDPSA-N 1 0 380.576 1.100 20 0 GDADRO CO[C@]1(C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000905556268 659464886 /nfs/dbraw/zinc/46/48/86/659464886.db2.gz IAZXQESHNDJXMU-JQFCIGGWSA-N 1 0 391.917 1.572 20 0 GDADRO CC(=O)c1ccc(OC[C@H](O)CNCc2ncc(Br)cn2)cc1 ZINC000905667065 659473243 /nfs/dbraw/zinc/47/32/43/659473243.db2.gz DGBWRVQOEHLALJ-CQSZACIVSA-N 1 0 380.242 1.971 20 0 GDADRO COc1nn(C)cc1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000905676045 659474925 /nfs/dbraw/zinc/47/49/25/659474925.db2.gz SGDFWUQJBURKMA-ZDUSSCGKSA-N 1 0 388.237 1.860 20 0 GDADRO O=c1ccn(CCC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)c(=O)[nH]1 ZINC000905702342 659477647 /nfs/dbraw/zinc/47/76/47/659477647.db2.gz OWRKZWSKOWVNQQ-NSHDSACASA-N 1 0 388.251 1.675 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cn(C)nc1I ZINC000905985445 659500992 /nfs/dbraw/zinc/50/09/92/659500992.db2.gz VGKRTVJVDVVRHQ-BBBLOLIVSA-N 1 0 376.242 1.578 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906596187 659559166 /nfs/dbraw/zinc/55/91/66/659559166.db2.gz CJHAALDQRMVYNI-ZDUSSCGKSA-N 1 0 398.301 1.786 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C1 ZINC000906671489 659568140 /nfs/dbraw/zinc/56/81/40/659568140.db2.gz RECAUVZPDSYYLJ-NSHDSACASA-N 1 0 381.889 1.795 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)ccc1Br ZINC000906706923 659573888 /nfs/dbraw/zinc/57/38/88/659573888.db2.gz SEYUVIJTWWZJMU-LBPRGKRZSA-N 1 0 398.257 1.288 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(I)c1 ZINC000906705200 659573992 /nfs/dbraw/zinc/57/39/92/659573992.db2.gz FHLXHVLJODFSBR-NSHDSACASA-N 1 0 387.221 1.344 20 0 GDADRO O=C(Nc1nc(CC(F)(F)F)cs1)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906718340 659575582 /nfs/dbraw/zinc/57/55/82/659575582.db2.gz WTLLNBOUMKZJMA-UHFFFAOYSA-N 1 0 376.404 1.835 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906722872 659576238 /nfs/dbraw/zinc/57/62/38/659576238.db2.gz XILHXPSHSWGHCP-CYZMBNFOSA-N 1 0 399.232 1.547 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000906749190 659581618 /nfs/dbraw/zinc/58/16/18/659581618.db2.gz UYIYOXGTQKBACR-AWEZNQCLSA-N 1 0 396.285 1.175 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000906780215 659586164 /nfs/dbraw/zinc/58/61/64/659586164.db2.gz KKARNADRZPEFAU-LBPRGKRZSA-N 1 0 379.766 1.744 20 0 GDADRO O=S(=O)(c1ccc(Cl)s1)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000906789365 659588682 /nfs/dbraw/zinc/58/86/82/659588682.db2.gz NGWJRLOLIZXYTE-CYBMUJFWSA-N 1 0 393.962 1.165 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906930397 659620380 /nfs/dbraw/zinc/62/03/80/659620380.db2.gz HZMDACBWPLKNES-UHFFFAOYSA-N 1 0 398.301 1.786 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1nscc1I ZINC000906940394 659623366 /nfs/dbraw/zinc/62/33/66/659623366.db2.gz IYGCIDRCSKJPGL-SECBINFHSA-N 1 0 397.282 1.834 20 0 GDADRO C[NH+](C)C1CC(NS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C1 ZINC000907267403 659713971 /nfs/dbraw/zinc/71/39/71/659713971.db2.gz CCYBVCGZXFNTIN-UHFFFAOYSA-N 1 0 394.266 1.058 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CCO1 ZINC000907297570 659722097 /nfs/dbraw/zinc/72/20/97/659722097.db2.gz CDKLKZBGDUZUDT-ZDUSSCGKSA-N 1 0 386.905 1.948 20 0 GDADRO COC(=O)[C@@H](C)CS(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000907345813 659732408 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O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001164411383 718875753 /nfs/dbraw/zinc/87/57/53/718875753.db2.gz PLXDMWXWZWPDNZ-IAISJRAMSA-N 1 0 394.882 1.933 20 0 GDADRO O=C1NCCN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)C12C[NH2+]C2 ZINC001164413464 718879529 /nfs/dbraw/zinc/87/95/29/718879529.db2.gz IUFHOLYTLDSFHL-INIZCTEOSA-N 1 0 377.807 1.203 20 0 GDADRO [NH3+][C@]12C[C@H]1CCN([C@@]1(F)CN(C3CCCC3)c3nc(Cl)ncc3NC1=O)C2 ZINC001164421706 718895958 /nfs/dbraw/zinc/89/59/58/718895958.db2.gz RTTLKWFIOMCIKA-VQTKTOELSA-N 1 0 394.882 1.920 20 0 GDADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)nc1OC ZINC001164616072 719016793 /nfs/dbraw/zinc/01/67/93/719016793.db2.gz KJAUXKYDTUAXNC-DVVUODLYSA-N 1 0 376.791 1.413 20 0 GDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(OC)nc(Cl)n1 ZINC001164614249 719019116 /nfs/dbraw/zinc/01/91/16/719019116.db2.gz DSKHFVXCAURVPL-GUBZILKMSA-N 1 0 376.791 1.413 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164622487 719132014 /nfs/dbraw/zinc/13/20/14/719132014.db2.gz OYHLQZPXDHNPMK-MRXNPFEDSA-N 1 0 387.871 1.597 20 0 GDADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC001164670672 719390554 /nfs/dbraw/zinc/39/05/54/719390554.db2.gz XJEVQBKKLTZCHI-ZIAGYGMSSA-N 1 0 376.844 1.979 20 0 GDADRO CC(C)N(C)Cc1nn(-c2cc(Cl)nc(S(C)(=O)=O)n2)c2c1CC[NH2+]C2 ZINC001164684296 719600984 /nfs/dbraw/zinc/60/09/84/719600984.db2.gz OHDKMNIVPCLTFP-UHFFFAOYSA-N 1 0 398.920 1.205 20 0 GDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(OC)c(NC(C)C)n1)CC2 ZINC001164682334 719693947 /nfs/dbraw/zinc/69/39/47/719693947.db2.gz CGSNVVRKXXEGMQ-UHFFFAOYSA-N 1 0 376.505 1.486 20 0 GDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(C)cc1C(=O)N(C)OC)CC2 ZINC001164686636 719733610 /nfs/dbraw/zinc/73/36/10/719733610.db2.gz QJMXBCJJPCXWCP-UHFFFAOYSA-N 1 0 389.500 1.204 20 0 GDADRO Cc1cc2[nH]ccc2c(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)[nH+]1 ZINC001164709213 719910974 /nfs/dbraw/zinc/91/09/74/719910974.db2.gz QPFPNQATZXHQGO-UHFFFAOYSA-N 1 0 393.495 1.555 20 0 GDADRO Cc1nc(Cl)cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164711825 720163203 /nfs/dbraw/zinc/16/32/03/720163203.db2.gz CIRDTONHJCIWOH-OAHLLOKOSA-N 1 0 391.907 1.783 20 0 GDADRO Cn1nnc2c1CCN(c1ncnc3cc[nH]c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164711766 720167312 /nfs/dbraw/zinc/16/73/12/720167312.db2.gz BZFGLQGVZOXEGC-INIZCTEOSA-N 1 0 382.472 1.303 20 0 GDADRO COc1ncnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1C ZINC001164717658 720179673 /nfs/dbraw/zinc/17/96/73/720179673.db2.gz LDUDQSREIIAQCJ-MRXNPFEDSA-N 1 0 387.488 1.138 20 0 GDADRO COc1nc(C)cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164719476 720181800 /nfs/dbraw/zinc/18/18/00/720181800.db2.gz VHNSWLWNMWMFRY-MRXNPFEDSA-N 1 0 387.488 1.138 20 0 GDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(S(N)(=O)=O)cc1F)C2 ZINC001164813334 720201617 /nfs/dbraw/zinc/20/16/17/720201617.db2.gz OMZHNAYTEMLYMZ-RDTXWAMCSA-N 1 0 398.504 1.053 20 0 GDADRO Cn1nnc2c1CCN(c1ccc(Cl)c(N)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719811 720204612 /nfs/dbraw/zinc/20/46/12/720204612.db2.gz USCHKKKQRXLXCM-OAHLLOKOSA-N 1 0 391.907 1.662 20 0 GDADRO Cn1cnc2cnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164818904 720313937 /nfs/dbraw/zinc/31/39/37/720313937.db2.gz BNDDYIMFDSKWPK-DLBZAZTESA-N 1 0 383.500 1.275 20 0 GDADRO COC(=O)c1cc2c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)[nH]cnc-2n1 ZINC001164727384 720345159 /nfs/dbraw/zinc/34/51/59/720345159.db2.gz UFCDHTWNDTWPMT-IAGOWNOFSA-N 1 0 378.436 1.944 20 0 GDADRO COc1cc[nH+]c(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)c1 ZINC001164823639 720432581 /nfs/dbraw/zinc/43/25/81/720432581.db2.gz INIJMABRJMCIQG-MRXNPFEDSA-N 1 0 387.484 1.276 20 0 GDADRO Cc1c[nH+]c(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)cc1C ZINC001164831161 720474779 /nfs/dbraw/zinc/47/47/79/720474779.db2.gz NALMJBLJSDDKCM-SFHVURJKSA-N 1 0 385.512 1.885 20 0 GDADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4c(n3)NC(=O)CO4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836251 720554784 /nfs/dbraw/zinc/55/47/84/720554784.db2.gz JEXLOEGNDRPTOF-IXDOHACOSA-N 1 0 396.495 1.987 20 0 GDADRO CON(C)C(=O)c1ccnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164736311 720589275 /nfs/dbraw/zinc/58/92/75/720589275.db2.gz HVLZWSRJZDJTSV-UHFFFAOYSA-N 1 0 384.484 1.570 20 0 GDADRO NC(=O)c1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(C2CC2)n1 ZINC001164742470 720595377 /nfs/dbraw/zinc/59/53/77/720595377.db2.gz NNBRQRSAXHYPMG-UHFFFAOYSA-N 1 0 381.484 1.308 20 0 GDADRO COc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1NC(C)C ZINC001164745028 720600438 /nfs/dbraw/zinc/60/04/38/720600438.db2.gz UBFPFBGRQFEHQH-GJZGRUSLSA-N 1 0 385.472 1.437 20 0 GDADRO CN(C)c1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164746949 720607335 /nfs/dbraw/zinc/60/73/35/720607335.db2.gz YPWARSFSKMIADG-STQMWFEESA-N 1 0 375.864 1.328 20 0 GDADRO COC(=O)c1c(Cl)ccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164747578 720623391 /nfs/dbraw/zinc/62/33/91/720623391.db2.gz ZVXYEFYRZFSDPB-STQMWFEESA-N 1 0 389.843 1.654 20 0 GDADRO COC(=O)c1cc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164743768 720647108 /nfs/dbraw/zinc/64/71/08/720647108.db2.gz QPKZEZRGFXEWOO-KBPBESRZSA-N 1 0 389.843 1.654 20 0 GDADRO COC(=O)c1c[nH]c2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ccc12 ZINC001164737782 720665414 /nfs/dbraw/zinc/66/54/14/720665414.db2.gz GXWXDJCCWDSLTF-KBPBESRZSA-N 1 0 394.435 1.481 20 0 GDADRO F[C@H](Oc1cccc(Cl)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741017 720697714 /nfs/dbraw/zinc/69/77/14/720697714.db2.gz RVALMSFAURAPDY-XNJGSVPQSA-N 1 0 379.823 1.994 20 0 GDADRO CC(C)n1cnc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164742891 720765094 /nfs/dbraw/zinc/76/50/94/720765094.db2.gz PEPKAOOSOHESLZ-GJZGRUSLSA-N 1 0 380.456 1.539 20 0 GDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(CN4CCOCC4)cn3)CC[C@H]2C1 ZINC001164854708 720836157 /nfs/dbraw/zinc/83/61/57/720836157.db2.gz RFOUOZJHBXBIHV-VQTJNVASSA-N 1 0 390.528 1.087 20 0 GDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C(=O)OC)cc(Cl)n3)CC[C@@H]2C1 ZINC001164851892 720836497 /nfs/dbraw/zinc/83/64/97/720836497.db2.gz IVTVGDHZENEMCI-UKRRQHHQSA-N 1 0 383.876 1.695 20 0 GDADRO NC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744498 720841676 /nfs/dbraw/zinc/84/16/76/720841676.db2.gz KJARJJQUWLSOBO-UWWQBHOKSA-N 1 0 399.474 1.291 20 0 GDADRO CCOC(=O)c1cnc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc1C ZINC001164854741 720851914 /nfs/dbraw/zinc/85/19/14/720851914.db2.gz RYUCXRIOGAORDK-WBVHZDCISA-N 1 0 378.473 1.135 20 0 GDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(Cl)nc3C(=O)OC)CC[C@H]2C1 ZINC001164860973 720857412 /nfs/dbraw/zinc/85/74/12/720857412.db2.gz XMRGCNGBQJZTGU-QWHCGFSZSA-N 1 0 384.864 1.090 20 0 GDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc4c3CNC4=O)CC[C@@H]2C1 ZINC001164857407 720862910 /nfs/dbraw/zinc/86/29/10/720862910.db2.gz QSICOEYQBAFCIT-DOMZBBRYSA-N 1 0 380.876 1.152 20 0 GDADRO COCC[N@@H+]1CCO[C@H]2CN(c3cccc(SCC(=O)OC)n3)CC[C@@H]2C1 ZINC001164853542 720869972 /nfs/dbraw/zinc/86/99/72/720869972.db2.gz HEUHZTVFENZVCS-CVEARBPZSA-N 1 0 395.525 1.520 20 0 GDADRO COC(=O)c1cnc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1OC ZINC001164764978 721085318 /nfs/dbraw/zinc/08/53/18/721085318.db2.gz IFHFYPDATNYHQJ-HZPDHXFCSA-N 1 0 385.468 1.569 20 0 GDADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH]c5cc(=O)[nH]c-5cc4Cl)C[C@H]3C2)cn1 ZINC001164764975 721141063 /nfs/dbraw/zinc/14/10/63/721141063.db2.gz IOXYOSVYZTYRJK-UONOGXRCSA-N 1 0 386.887 1.921 20 0 GDADRO CCNC(=O)c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164879825 721165693 /nfs/dbraw/zinc/16/56/93/721165693.db2.gz UIDUNACKTYUOPU-DLBZAZTESA-N 1 0 382.468 1.101 20 0 GDADRO COc1ccc(Cl)nc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164872136 721276353 /nfs/dbraw/zinc/27/63/53/721276353.db2.gz AWGKMDAKCQBSDA-UHFFFAOYSA-N 1 0 396.919 1.751 20 0 GDADRO COc1ncc(Cl)c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164877913 721290143 /nfs/dbraw/zinc/29/01/43/721290143.db2.gz PWUSTFKHNDWIJG-UHFFFAOYSA-N 1 0 397.907 1.146 20 0 GDADRO COCCN1CCN(c2cccc(N3CC[NH+](C)CC3)n2)Cc2cccnc21 ZINC001164886225 721368917 /nfs/dbraw/zinc/36/89/17/721368917.db2.gz LVFSAVGGAWYIAQ-UHFFFAOYSA-N 1 0 382.512 1.701 20 0 GDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc(N)n4)C3)O2)CC1 ZINC001164889238 721378161 /nfs/dbraw/zinc/37/81/61/721378161.db2.gz LEUIFXLIYDTXPP-KSSFIOAISA-N 1 0 380.924 1.478 20 0 GDADRO COC(=O)c1nccnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892818 721390880 /nfs/dbraw/zinc/39/08/80/721390880.db2.gz SUMICIGFVDRIFY-JXFKEZNVSA-N 1 0 389.500 1.029 20 0 GDADRO COc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164885712 721397192 /nfs/dbraw/zinc/39/71/92/721397192.db2.gz DGDLFCWFEPACKK-KDOFPFPSSA-N 1 0 396.923 1.299 20 0 GDADRO COc1cc(OC)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164887187 721410416 /nfs/dbraw/zinc/41/04/16/721410416.db2.gz LHUPTGOJUASSKD-UWJYYQICSA-N 1 0 390.528 1.864 20 0 GDADRO CNC(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890443 721424007 /nfs/dbraw/zinc/42/40/07/721424007.db2.gz SQPYDLBXQOYYMT-LAUBAEHRSA-N 1 0 387.528 1.207 20 0 GDADRO COc1nc2ccccc2nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794273 721510588 /nfs/dbraw/zinc/51/05/88/721510588.db2.gz MLVBTFOEJHUSLH-UHFFFAOYSA-N 1 0 393.495 1.603 20 0 GDADRO CC(C)c1nc(N(C)C)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164796761 721516035 /nfs/dbraw/zinc/51/60/35/721516035.db2.gz BSBLTVHQRQUPNM-UHFFFAOYSA-N 1 0 399.547 1.025 20 0 GDADRO COCCOc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164910869 721556329 /nfs/dbraw/zinc/55/63/29/721556329.db2.gz XMUDJKXANLYIFR-AEFFLSMTSA-N 1 0 388.443 1.983 20 0 GDADRO NC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907958 721587346 /nfs/dbraw/zinc/58/73/46/721587346.db2.gz XFCGNMLQQDGCKL-GOSISDBHSA-N 1 0 388.422 1.708 20 0 GDADRO O=C(N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@H]2COC[C@@H]21)c1cnccn1 ZINC001164801009 721599279 /nfs/dbraw/zinc/59/92/79/721599279.db2.gz NODONENNCQEMBZ-QRQLOZEOSA-N 1 0 394.479 1.101 20 0 GDADRO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2cc(C[NH+](C)C)ccn2)C1 ZINC001164808591 721606631 /nfs/dbraw/zinc/60/66/31/721606631.db2.gz XXFVEHUJZQPJMD-OAQYLSRUSA-N 1 0 382.512 1.986 20 0 GDADRO COC(=O)c1ccc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1OC ZINC001165007660 721731988 /nfs/dbraw/zinc/73/19/88/721731988.db2.gz GHAXDMLPOCNCIH-UHFFFAOYSA-N 1 0 390.484 1.400 20 0 GDADRO CCOC(=O)c1cnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)cn1 ZINC001165011605 721736560 /nfs/dbraw/zinc/73/65/60/721736560.db2.gz SIFMUMQJSUYBCS-UHFFFAOYSA-N 1 0 375.473 1.176 20 0 GDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)cc3c2CNC3=O)CC1 ZINC001165009459 721740765 /nfs/dbraw/zinc/74/07/65/721740765.db2.gz DSBDRFXYMSGKDU-UHFFFAOYSA-N 1 0 391.903 1.501 20 0 GDADRO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1cc(C[NH+](C)C)ccn1)C2 ZINC001165017696 721787646 /nfs/dbraw/zinc/78/76/46/721787646.db2.gz HAFWEFMCMOJJBX-FQEVSTJZSA-N 1 0 376.501 1.233 20 0 GDADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164932519 721853468 /nfs/dbraw/zinc/85/34/68/721853468.db2.gz YQBXSYPOHFJRBF-OLZOCXBDSA-N 1 0 388.894 1.956 20 0 GDADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC001164931918 721879008 /nfs/dbraw/zinc/87/90/08/721879008.db2.gz GSNUWNJTEMEDBX-QZTJIDSGSA-N 1 0 393.557 1.081 20 0 GDADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1nc2[nH]cnc2c(Cl)n1 ZINC001164932319 721880444 /nfs/dbraw/zinc/88/04/44/721880444.db2.gz IQCRQKUKAGLGRH-MNOVXSKESA-N 1 0 385.850 1.717 20 0 GDADRO COC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cn1 ZINC001164975456 722100382 /nfs/dbraw/zinc/10/03/82/722100382.db2.gz BQIINXOZYVDJDB-WMZOPIPTSA-N 1 0 383.452 1.386 20 0 GDADRO COC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978167 722106406 /nfs/dbraw/zinc/10/64/06/722106406.db2.gz FYBRHNSZYHJLGW-FUHWJXTLSA-N 1 0 383.452 1.386 20 0 GDADRO COc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(OC)n1 ZINC001164975461 722107494 /nfs/dbraw/zinc/10/74/94/722107494.db2.gz BUTQHFLNNSDOII-DLBZAZTESA-N 1 0 385.468 1.616 20 0 GDADRO Cc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C(N)=O ZINC001164971872 722112466 /nfs/dbraw/zinc/11/24/66/722112466.db2.gz CYIFIIYOQVHNCM-ROUUACIJSA-N 1 0 381.480 1.611 20 0 GDADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(Cl)c(C(N)=O)n1)CCC2 ZINC001164999900 722251011 /nfs/dbraw/zinc/25/10/11/722251011.db2.gz IOWAFTSNIOZZDS-UHFFFAOYSA-N 1 0 392.891 1.519 20 0 GDADRO C[C@@H]1CC(=O)Nc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c21 ZINC001165001522 722253599 /nfs/dbraw/zinc/25/35/99/722253599.db2.gz AUCKPTTVAFRNDW-CQSZACIVSA-N 1 0 399.499 1.607 20 0 GDADRO CN(C)c1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc2nc[nH]c21 ZINC001165002211 722254502 /nfs/dbraw/zinc/25/45/02/722254502.db2.gz LHVHUMARPIPWQA-UHFFFAOYSA-N 1 0 399.503 1.104 20 0 GDADRO O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737879515 945143188 /nfs/dbraw/zinc/14/31/88/945143188.db2.gz UIUULIOHYDPQMP-CYBMUJFWSA-N 1 0 389.891 1.876 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000737034348 944937656 /nfs/dbraw/zinc/93/76/56/944937656.db2.gz ZHMLGSYROFFWEN-UKRRQHHQSA-N 1 0 388.472 1.633 20 0 GDADRO CC(C)(O)CC(=O)N1CC[C@]2(C1)CCCN(c1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571263353 945455907 /nfs/dbraw/zinc/45/59/07/945455907.db2.gz NKZWXKVTFFTNMR-LJQANCHMSA-N 1 0 385.472 1.242 20 0 GDADRO Cc1cc(N(C)C[C@H]2CCN(C(=O)c3cnns3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571263496 945459757 /nfs/dbraw/zinc/45/97/57/945459757.db2.gz RPCMZBKHQYJLCK-LLVKDONJSA-N 1 0 385.457 1.020 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC2(CC[NH+](CC3CC3)CC2)O1 ZINC001571263969 945471180 /nfs/dbraw/zinc/47/11/80/945471180.db2.gz CVIRBLHFSIQJRQ-ZDUSSCGKSA-N 1 0 385.472 1.300 20 0 GDADRO C[N@@H+]1C[C@@H](NC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571264290 945480024 /nfs/dbraw/zinc/48/00/24/945480024.db2.gz KJTOESZQTAVZDP-OAHLLOKOSA-N 1 0 385.472 1.432 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)C[C@H]3CCCOC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264333 945481561 /nfs/dbraw/zinc/48/15/61/945481561.db2.gz LQURNNVGQFLMJH-HUUCEWRRSA-N 1 0 385.472 1.472 20 0 GDADRO C[C@@H]1CN(C(=O)CCC2CCOCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571264531 945485763 /nfs/dbraw/zinc/48/57/63/945485763.db2.gz QSABMRLJXRCZPV-DYVFJYSZSA-N 1 0 385.472 1.149 20 0 GDADRO C[N@H+](C[C@@H]1C[C@@]12CCOC2)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571264694 945490220 /nfs/dbraw/zinc/49/02/20/945490220.db2.gz UOFGCOBVHSFFRQ-IFXJQAMLSA-N 1 0 385.472 1.158 20 0 GDADRO CO[C@@H]1CCC[C@H](C(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571264719 945490239 /nfs/dbraw/zinc/49/02/39/945490239.db2.gz UZWMJQYBKJANEF-DZGCQCFKSA-N 1 0 385.472 1.552 20 0 GDADRO Cc1cc(NC2CCN(C(=O)C3(C)CCOCC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266584 945546944 /nfs/dbraw/zinc/54/69/44/945546944.db2.gz URCXSDAAKHGCBW-UHFFFAOYSA-N 1 0 385.472 1.212 20 0 GDADRO Cc1cc(N[C@@H]2CCCCCN(C(=O)[C@H]3CCOC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266677 945549212 /nfs/dbraw/zinc/54/92/12/945549212.db2.gz WLMWDCLEKVDAQN-LSDHHAIUSA-N 1 0 385.472 1.212 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2=COCCC2)CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571269132 945614097 /nfs/dbraw/zinc/61/40/97/945614097.db2.gz PYNYBNWXNRFRPV-PXAZEXFGSA-N 1 0 386.431 1.779 20 0 GDADRO O=C(N1CCC[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@]12C[C@H]1COC2 ZINC001571269233 945615728 /nfs/dbraw/zinc/61/57/28/945615728.db2.gz STVSNZHZCFBSSH-DOXZYTNZSA-N 1 0 386.431 1.123 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[N@@H+]1CCc1ccns1 ZINC001571271399 945642820 /nfs/dbraw/zinc/64/28/20/945642820.db2.gz BKPCATIIRLELMW-WCQYABFASA-N 1 0 386.485 1.477 20 0 GDADRO O=C(CCc1c[nH]cn1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571271760 945651013 /nfs/dbraw/zinc/65/10/13/945651013.db2.gz IXSSMOFDEGVBNM-UHFFFAOYSA-N 1 0 386.485 1.365 20 0 GDADRO Cc1ncsc1CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571271885 945651985 /nfs/dbraw/zinc/65/19/85/945651985.db2.gz LUQUVRCMRWGFPD-ZDUSSCGKSA-N 1 0 386.485 1.397 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001571272348 945660451 /nfs/dbraw/zinc/66/04/51/945660451.db2.gz SKTYBYBPWQIVOA-GDBMZVCRSA-N 1 0 386.504 1.417 20 0 GDADRO CCn1ccnc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571272496 945663711 /nfs/dbraw/zinc/66/37/11/945663711.db2.gz UXTBWEMKVGAJFB-GFCCVEGCSA-N 1 0 386.485 1.539 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001571272561 945665444 /nfs/dbraw/zinc/66/54/44/945665444.db2.gz WTHCJNPQFYFHDP-CQSZACIVSA-N 1 0 386.485 1.221 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)[C@@H](C)C2)n1 ZINC001571272542 945665608 /nfs/dbraw/zinc/66/56/08/945665608.db2.gz VWYKEVUMDJVSTB-RYUDHWBXSA-N 1 0 386.485 1.743 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)c3ccc(Cl)[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571275529 945706861 /nfs/dbraw/zinc/70/68/61/945706861.db2.gz VTRMHJPXYWMXPM-NSHDSACASA-N 1 0 386.847 1.950 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821586313 945725631 /nfs/dbraw/zinc/72/56/31/945725631.db2.gz SGRIVHXEZWQNRS-HNNXBMFYSA-N 1 0 391.451 1.258 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)c2c[nH+]ccc21 ZINC000821629051 945759190 /nfs/dbraw/zinc/75/91/90/945759190.db2.gz XNDUXWKIDDGCLK-UHFFFAOYSA-N 1 0 391.844 1.560 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CN1C(=O)c1ccns1 ZINC001571279200 945771824 /nfs/dbraw/zinc/77/18/24/945771824.db2.gz KXGTVZGHCVDQGL-MFKMUULPSA-N 1 0 387.444 1.855 20 0 GDADRO Cc1cc[nH]c1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281613 945807035 /nfs/dbraw/zinc/80/70/35/945807035.db2.gz KBBWVEQDWPNYNS-LBPRGKRZSA-N 1 0 387.469 1.196 20 0 GDADRO Cc1ncoc1C(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571281820 945816510 /nfs/dbraw/zinc/81/65/10/945816510.db2.gz OLUWACAXDIRDIC-YPMHNXCESA-N 1 0 387.469 1.913 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1ncccc1F ZINC001571282051 945825857 /nfs/dbraw/zinc/82/58/57/945825857.db2.gz CNPPVCLKUHRHGZ-XYPYZODXSA-N 1 0 387.444 1.761 20 0 GDADRO O=C(c1ncccc1F)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571282163 945830045 /nfs/dbraw/zinc/83/00/45/945830045.db2.gz FLGMAMQYISBHHS-NSHDSACASA-N 1 0 387.444 1.857 20 0 GDADRO CCc1nc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571282239 945836566 /nfs/dbraw/zinc/83/65/66/945836566.db2.gz VTPOBYHYTVWIIY-NSHDSACASA-N 1 0 387.469 1.825 20 0 GDADRO CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573452159 945845807 /nfs/dbraw/zinc/84/58/07/945845807.db2.gz BMNCOQDIOLVVFJ-BFUOFWGJSA-N 1 0 387.488 1.012 20 0 GDADRO O=C(Cc1ccc(F)cn1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571282906 945865272 /nfs/dbraw/zinc/86/52/72/945865272.db2.gz VHZTZGDAUYVWDT-JOCQHMNTSA-N 1 0 387.444 1.442 20 0 GDADRO O=C(c1ccns1)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282935 945870139 /nfs/dbraw/zinc/87/01/39/945870139.db2.gz WBXGMTYOYWSAFG-ZDUSSCGKSA-N 1 0 387.444 1.857 20 0 GDADRO CC[C@H](C(=O)N1CCC(CC)(Nc2cncc(-c3nn[nH]n3)n2)CC1)[NH+](C)C ZINC001571283375 945884213 /nfs/dbraw/zinc/88/42/13/945884213.db2.gz DKAOXKKXHYWRFQ-CQSZACIVSA-N 1 0 387.492 1.180 20 0 GDADRO O=C(c1cc(C(F)F)n[nH]1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571285454 945918332 /nfs/dbraw/zinc/91/83/32/945918332.db2.gz FCXAVOOLMMOBNY-LLVKDONJSA-N 1 0 388.382 1.532 20 0 GDADRO C[C@H]1CN(C(=O)c2csnn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571286435 945947969 /nfs/dbraw/zinc/94/79/69/945947969.db2.gz HPLNNZFVAPRNQU-ZANVPECISA-N 1 0 388.432 1.108 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1CCOCC1 ZINC001571287634 945975731 /nfs/dbraw/zinc/97/57/31/945975731.db2.gz GLYNZXFQDLGZPA-YGUOUDRMSA-N 1 0 388.447 1.417 20 0 GDADRO CO[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001571287829 945978091 /nfs/dbraw/zinc/97/80/91/945978091.db2.gz IZJLAWFBFDNUDP-PBHICJAKSA-N 1 0 388.447 1.511 20 0 GDADRO CO[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571288044 945982831 /nfs/dbraw/zinc/98/28/31/945982831.db2.gz LSTJMMPXWCVTPO-PBHICJAKSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(C[C@@H]1CCCO1)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571288089 945983211 /nfs/dbraw/zinc/98/32/11/945983211.db2.gz LZXZRKGLHCDTDX-CVEARBPZSA-N 1 0 388.447 1.656 20 0 GDADRO Cc1cc(F)ccc1[C@H](O)C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000822205934 945990875 /nfs/dbraw/zinc/99/08/75/945990875.db2.gz NUHKEABXRROPFQ-QGZVFWFLSA-N 1 0 383.431 1.565 20 0 GDADRO O=C(C1CCOCC1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288702 945991001 /nfs/dbraw/zinc/99/10/01/945991001.db2.gz RIUVNRMPDPDOAB-CQSZACIVSA-N 1 0 388.447 1.371 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001571289675 946015993 /nfs/dbraw/zinc/01/59/93/946015993.db2.gz JXCNCKYWPMJDIW-KCPJHIHWSA-N 1 0 388.451 1.192 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571290518 946044737 /nfs/dbraw/zinc/04/47/37/946044737.db2.gz HXIORFAGUATWMK-UWVGGRQHSA-N 1 0 388.819 1.288 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571290519 946044884 /nfs/dbraw/zinc/04/48/84/946044884.db2.gz HXIORFAGUATWMK-VHSXEESVSA-N 1 0 388.819 1.288 20 0 GDADRO Cc1cccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)n1 ZINC001571295505 946165870 /nfs/dbraw/zinc/16/58/70/946165870.db2.gz VQIPUSVRDPVKJX-NNZMDNLPSA-N 1 0 389.463 1.678 20 0 GDADRO O=C([C@H]1COc2ccccc21)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571295668 946172907 /nfs/dbraw/zinc/17/29/07/946172907.db2.gz BOFHNXIGHAXBOM-WMZOPIPTSA-N 1 0 390.447 1.733 20 0 GDADRO 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C[C@@H]1CO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001571299333 946247136 /nfs/dbraw/zinc/24/71/36/946247136.db2.gz KZGODLZQIRICFE-ABHRYQDASA-N 1 0 390.513 1.870 20 0 GDADRO C[C@@H]1CN(C(=O)C2=COCCO2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571299455 946251913 /nfs/dbraw/zinc/25/19/13/946251913.db2.gz WKEULQLZADMWLL-DGCLKSJQSA-N 1 0 390.469 1.143 20 0 GDADRO CCO[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571300276 946277636 /nfs/dbraw/zinc/27/76/36/946277636.db2.gz YQPVDHWNSPQTJO-TZMCWYRMSA-N 1 0 390.513 1.681 20 0 GDADRO O=C(NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ncc(Cl)s1 ZINC001571300272 946278644 /nfs/dbraw/zinc/27/86/44/946278644.db2.gz YOIFGCBKGNASDP-KYZUINATSA-N 1 0 390.860 1.414 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC(F)(F)C1 ZINC001571301825 946285096 /nfs/dbraw/zinc/28/50/96/946285096.db2.gz FFPILUSATHCTON-BETUJISGSA-N 1 0 391.426 1.919 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@]2(CC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001571302063 946291882 /nfs/dbraw/zinc/29/18/82/946291882.db2.gz MYAQMMOBVGBMHF-QGZVFWFLSA-N 1 0 391.426 1.778 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)c1ocnc1C1CC1 ZINC001571302987 946322312 /nfs/dbraw/zinc/32/23/12/946322312.db2.gz GUMVKXMONZVMAN-QLPKVWCKSA-N 1 0 391.435 1.592 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)c1cc[nH]c(=O)c1 ZINC001571303964 946352544 /nfs/dbraw/zinc/35/25/44/946352544.db2.gz UAGXWKZXRPYIEB-ZACQAIPSSA-N 1 0 391.435 1.503 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncc1 ZINC001571307130 946418603 /nfs/dbraw/zinc/41/86/03/946418603.db2.gz XQWQSOFVQJANFO-HNAYVOBHSA-N 1 0 391.479 1.974 20 0 GDADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CC[C@H]([NH+]4CCCCC4)C3)o2)c1 ZINC000823737677 946474407 /nfs/dbraw/zinc/47/44/07/946474407.db2.gz IFBNWRDMQJUBSB-INIZCTEOSA-N 1 0 380.456 1.977 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001571310777 946478133 /nfs/dbraw/zinc/47/81/33/946478133.db2.gz MLIKGCFPJWGNIB-ZBFHGGJFSA-N 1 0 392.467 1.675 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1coc(-c3ccccc3)n1)C2 ZINC000823766694 946478418 /nfs/dbraw/zinc/47/84/18/946478418.db2.gz HPQSCBHXSCJVEZ-GFCCVEGCSA-N 1 0 377.412 1.550 20 0 GDADRO CCc1cncc(C(=O)N2CCC(Nc3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)c1 ZINC001571313827 946535698 /nfs/dbraw/zinc/53/56/98/946535698.db2.gz WWNXSEFNUVWHET-UHFFFAOYSA-N 1 0 392.467 1.666 20 0 GDADRO Cc1cc(C)nc(C(=O)N2CCC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571314715 946543240 /nfs/dbraw/zinc/54/32/40/946543240.db2.gz AYNYFCRLLRTTHZ-HNNXBMFYSA-N 1 0 392.467 1.660 20 0 GDADRO Cc1cc(C)nc(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571314756 946544472 /nfs/dbraw/zinc/54/44/72/946544472.db2.gz CEJGLYLBTRPOGV-OAHLLOKOSA-N 1 0 392.467 1.933 20 0 GDADRO Cc1ncc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c(C)n1 ZINC001571316736 946586675 /nfs/dbraw/zinc/58/66/75/946586675.db2.gz LBFRCJGGVGPCFP-INIZCTEOSA-N 1 0 392.467 1.525 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C1)c1ccn[nH]1 ZINC001571317091 946597731 /nfs/dbraw/zinc/59/77/31/946597731.db2.gz VEESNXKURLXJMJ-BRWVUGGUSA-N 1 0 392.467 1.620 20 0 GDADRO Cc1ccnc(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)n1 ZINC001571317037 946599886 /nfs/dbraw/zinc/59/98/86/946599886.db2.gz STUIPJIUHRDDRR-CXAGYDPISA-N 1 0 392.467 1.463 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn2c1CCC2 ZINC001571317126 946600993 /nfs/dbraw/zinc/60/09/93/946600993.db2.gz VWFUKHKJGLTKCS-MRXNPFEDSA-N 1 0 392.467 1.404 20 0 GDADRO CC[N@@H+]1C[C@@H](NS(=O)(=O)Cc2c(C)cc(-c3nn[nH]n3)cc2C)C(C)(C)C1 ZINC001571317418 946609365 /nfs/dbraw/zinc/60/93/65/946609365.db2.gz HFUBXGRPXPUHCB-MRXNPFEDSA-N 1 0 392.529 1.633 20 0 GDADRO CS[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571317683 946619651 /nfs/dbraw/zinc/61/96/51/946619651.db2.gz QSXGJRVBCLTJKB-YRGRVCCFSA-N 1 0 392.504 1.941 20 0 GDADRO CC(C)N1C[C@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824296875 946647457 /nfs/dbraw/zinc/64/74/57/946647457.db2.gz LPPZCAGOYQJHII-GOSISDBHSA-N 1 0 383.500 1.430 20 0 GDADRO C[C@@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCOCC1 ZINC000824428439 946704968 /nfs/dbraw/zinc/70/49/68/946704968.db2.gz RXUJTTWGFYFUPD-INIZCTEOSA-N 1 0 385.516 1.141 20 0 GDADRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)Cn1ccnc1 ZINC000824428527 946706265 /nfs/dbraw/zinc/70/62/65/946706265.db2.gz SNPSWHGFLUZSSQ-AWEZNQCLSA-N 1 0 377.456 1.890 20 0 GDADRO C[C@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CN(C)CCO1 ZINC000824547866 946790841 /nfs/dbraw/zinc/79/08/41/946790841.db2.gz TVMZQFLUSJJHNS-HNAYVOBHSA-N 1 0 385.516 1.140 20 0 GDADRO C[C@@](O)(C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccco1 ZINC000824670590 946889714 /nfs/dbraw/zinc/88/97/14/946889714.db2.gz RWPRXQZUBGWVQB-HXUWFJFHSA-N 1 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C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCO1 ZINC001573595146 947415257 /nfs/dbraw/zinc/41/52/57/947415257.db2.gz FTNHUKPFGJGTHF-CRAIPNDOSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C ZINC001573595478 947419203 /nfs/dbraw/zinc/41/92/03/947419203.db2.gz GJAPXLPTFKEEOY-IUODEOHRSA-N 1 0 392.479 1.597 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C ZINC001573595481 947419998 /nfs/dbraw/zinc/41/99/98/947419998.db2.gz GJAPXLPTFKEEOY-SWLSCSKDSA-N 1 0 392.479 1.597 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573603339 947484774 /nfs/dbraw/zinc/48/47/74/947484774.db2.gz KKKJUONDXUKVCY-GUYCJALGSA-N 1 0 390.463 1.711 20 0 GDADRO COCCO[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826160176 947502599 /nfs/dbraw/zinc/50/25/99/947502599.db2.gz HZOSLDDKVSXFAH-SFHVURJKSA-N 1 0 397.483 1.895 20 0 GDADRO COCCN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826159313 947503177 /nfs/dbraw/zinc/50/31/77/947503177.db2.gz AWXVLYBAPAAVRZ-LJQANCHMSA-N 1 0 385.516 1.141 20 0 GDADRO C[C@H](C(=O)N1CC2(C1)CC[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2)n1cccc1 ZINC001573613557 947564974 /nfs/dbraw/zinc/56/49/74/947564974.db2.gz CLBMYDRPOYKGJN-MRXNPFEDSA-N 1 0 391.479 1.964 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573623179 947686142 /nfs/dbraw/zinc/68/61/42/947686142.db2.gz DMMGTMAWEPUKEP-CXAGYDPISA-N 1 0 380.456 1.094 20 0 GDADRO Cc1c(Cl)cnc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826237678 947697369 /nfs/dbraw/zinc/69/73/69/947697369.db2.gz IFJLLKKJOUEVAG-WFASDCNBSA-N 1 0 390.923 1.686 20 0 GDADRO CC(=O)CCCC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573366526 947743605 /nfs/dbraw/zinc/74/36/05/947743605.db2.gz RTZFHTNVVBTPGK-UHFFFAOYSA-N 1 0 376.486 1.767 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1C ZINC001573367927 947764620 /nfs/dbraw/zinc/76/46/20/947764620.db2.gz IYTVJVWKYDGMKG-WBMJQRKESA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1C ZINC001573369586 947774737 /nfs/dbraw/zinc/77/47/37/947774737.db2.gz UWSOZYCIIXOCHJ-SWLSCSKDSA-N 1 0 388.447 1.844 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573632107 947810706 /nfs/dbraw/zinc/81/07/06/947810706.db2.gz YZRHWZGJVXJXAE-VBKZILBWSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001573640091 947849755 /nfs/dbraw/zinc/84/97/55/947849755.db2.gz FKAVMCBWPKFVOF-AAEUAGOBSA-N 1 0 376.486 1.291 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C(C)(C)C ZINC001573640032 947850054 /nfs/dbraw/zinc/85/00/54/947850054.db2.gz FBZSDXISPGOFOK-HOCLYGCPSA-N 1 0 386.500 1.866 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573640932 947854577 /nfs/dbraw/zinc/85/45/77/947854577.db2.gz KGCZNRZOWBHBOQ-BXKDBHETSA-N 1 0 386.353 1.895 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001573380738 947862798 /nfs/dbraw/zinc/86/27/98/947862798.db2.gz HBDKIAZWANKCOQ-QKDCVEJESA-N 1 0 388.497 1.482 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(C)(F)F ZINC001573645964 947872059 /nfs/dbraw/zinc/87/20/59/947872059.db2.gz FDLUMEKPLIWUNP-MFKMUULPSA-N 1 0 382.390 1.988 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573382056 947881349 /nfs/dbraw/zinc/88/13/49/947881349.db2.gz CYMFNSUXNJWRIC-AKAXFMLLSA-N 1 0 388.447 1.750 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573381947 947881381 /nfs/dbraw/zinc/88/13/81/947881381.db2.gz ZZKTXDCTVBURRD-LBPRGKRZSA-N 1 0 376.436 1.702 20 0 GDADRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C1)C1CC1 ZINC001573647168 947886541 /nfs/dbraw/zinc/88/65/41/947886541.db2.gz DLDBIOKLOYFOSZ-VBNZEHGJSA-N 1 0 384.459 1.942 20 0 GDADRO C[C@H](C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573652258 947933377 /nfs/dbraw/zinc/93/33/77/947933377.db2.gz BYWYKJOJZFNTKT-BFUOFWGJSA-N 1 0 380.456 1.443 20 0 GDADRO C[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573657140 947998625 /nfs/dbraw/zinc/99/86/25/947998625.db2.gz LEUKAXXPZYGUSP-AUUYWEPGSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2)n1cccc1 ZINC001573663121 948033165 /nfs/dbraw/zinc/03/31/65/948033165.db2.gz JDOTYBHRNBUMLH-RHSMWYFYSA-N 1 0 392.467 1.800 20 0 GDADRO Cc1onc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[nH]n1 ZINC000826346807 948045983 /nfs/dbraw/zinc/04/59/83/948045983.db2.gz WFLMTTLTKRZINY-CJNGLKHVSA-N 1 0 395.467 1.732 20 0 GDADRO Cc1onc(CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826347454 948054023 /nfs/dbraw/zinc/05/40/23/948054023.db2.gz ROHKXEAUSGLBLK-OAHLLOKOSA-N 1 0 381.440 1.486 20 0 GDADRO Cc1onc(CC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826347552 948055431 /nfs/dbraw/zinc/05/54/31/948055431.db2.gz VDJDMIUAQYLTEG-MRXNPFEDSA-N 1 0 395.467 1.386 20 0 GDADRO C[C@@H](C(=O)N[C@@]1(CO)CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573664637 948057617 /nfs/dbraw/zinc/05/76/17/948057617.db2.gz WBZVBOJFUCSNCX-VLIAUNLRSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573664814 948061956 /nfs/dbraw/zinc/06/19/56/948061956.db2.gz GYGNRQUUNZAHIP-NFOMZHRRSA-N 1 0 380.456 1.586 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573673916 948116761 /nfs/dbraw/zinc/11/67/61/948116761.db2.gz MDMMMIXYOVXVEY-GJZGRUSLSA-N 1 0 384.488 1.221 20 0 GDADRO CC(=O)N1CC2(CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)[C@H]2COC[C@H]21 ZINC001573425768 948153156 /nfs/dbraw/zinc/15/31/56/948153156.db2.gz CFZQPBFOMKBQDZ-ZWKOTPCHSA-N 1 0 382.468 1.326 20 0 GDADRO CC(=O)N1C[C@@H](C)OC2(CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC001573426031 948154247 /nfs/dbraw/zinc/15/42/47/948154247.db2.gz GXEAPWFAQCQHBN-CYBMUJFWSA-N 1 0 388.447 1.608 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573679057 948158062 /nfs/dbraw/zinc/15/80/62/948158062.db2.gz HWHIYPLUONJZLL-RISCZKNCSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccn1 ZINC001573679031 948158547 /nfs/dbraw/zinc/15/85/47/948158547.db2.gz HQCDSPNKJOCHPS-RISCZKNCSA-N 1 0 386.485 1.370 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccsc1 ZINC001573680708 948185359 /nfs/dbraw/zinc/18/53/59/948185359.db2.gz PTDOTEVHBWBMTJ-BLLLJJGKSA-N 1 0 386.481 1.299 20 0 GDADRO NC(=O)CCC1CC[NH+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000826390523 948198479 /nfs/dbraw/zinc/19/84/79/948198479.db2.gz CMHZWXFVTOAGGB-KRWDZBQOSA-N 1 0 397.483 1.340 20 0 GDADRO CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573434282 948213722 /nfs/dbraw/zinc/21/37/22/948213722.db2.gz PQKLQMSWASPEEB-DGCLKSJQSA-N 1 0 383.378 1.451 20 0 GDADRO CC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CC1 ZINC001573438551 948237170 /nfs/dbraw/zinc/23/71/70/948237170.db2.gz BPNHYGBFUDRERQ-HNNXBMFYSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573691217 948239648 /nfs/dbraw/zinc/23/96/48/948239648.db2.gz DYQTZPCMHBIHMR-VIFPVBQESA-N 1 0 386.353 1.943 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CCCC1 ZINC001573691823 948247464 /nfs/dbraw/zinc/24/74/64/948247464.db2.gz KBKPOGXYTUKKFV-MLGOLLRUSA-N 1 0 390.463 1.399 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826432201 948284201 /nfs/dbraw/zinc/28/42/01/948284201.db2.gz UTUNSXNHECIHLH-FGTMMUONSA-N 1 0 397.483 1.576 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)n1cccc1 ZINC001573693674 948285821 /nfs/dbraw/zinc/28/58/21/948285821.db2.gz ASMUHSQVZQFVJH-DARAHFNDSA-N 1 0 378.440 1.123 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826435793 948288843 /nfs/dbraw/zinc/28/88/43/948288843.db2.gz XSNDBXDHYNYKRE-KSSFIOAISA-N 1 0 397.483 1.434 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCCC1 ZINC001573694470 948295185 /nfs/dbraw/zinc/29/51/85/948295185.db2.gz VWBHQIIMWDXJEP-WBMJQRKESA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccsc1 ZINC001573695604 948306722 /nfs/dbraw/zinc/30/67/22/948306722.db2.gz XXBRTYZSBGLUOZ-MLGOLLRUSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573696833 948335745 /nfs/dbraw/zinc/33/57/45/948335745.db2.gz XSWLARPAVQSEJG-HLIUYOAVSA-N 1 0 380.456 1.309 20 0 GDADRO c1ccn2c(c1)nc(N1CC[C@@H](OCC[NH+]3CCCCC3)C1)c2-c1nn[nH]n1 ZINC000826524158 948461598 /nfs/dbraw/zinc/46/15/98/948461598.db2.gz LDELIADHMLLJIT-OAHLLOKOSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573740027 948627398 /nfs/dbraw/zinc/62/73/98/948627398.db2.gz JMUDFFLJEKIUFV-PILAGYSTSA-N 1 0 392.467 1.546 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001573749320 948700081 /nfs/dbraw/zinc/70/00/81/948700081.db2.gz YGDOIPQEFBNMBH-JLZZUVOBSA-N 1 0 380.456 1.141 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)C1CCC1 ZINC001573753420 948718542 /nfs/dbraw/zinc/71/85/42/948718542.db2.gz UQDOAIYGEOYWEN-MTYBJYJGSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@@H](C(=O)Nc1n[nH]c(-c2cccc(-c3nn[nH]n3)c2)n1)[NH+]1CCCCCC1 ZINC001573755728 948777938 /nfs/dbraw/zinc/77/79/38/948777938.db2.gz TUCDHHAKRMFJKA-LBPRGKRZSA-N 1 0 381.444 1.855 20 0 GDADRO CC(C)c1ccccc1C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574420357 948797987 /nfs/dbraw/zinc/79/79/87/948797987.db2.gz UCPNTSFQAGUWRV-HNNXBMFYSA-N 1 0 383.456 1.199 20 0 GDADRO C[C@@H](CNC(=O)CCCn1ccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574918477 948844309 /nfs/dbraw/zinc/84/43/09/948844309.db2.gz LCAXEOAZRRMBJH-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO CC(C)[C@@H](F)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574082001 948845295 /nfs/dbraw/zinc/84/52/95/948845295.db2.gz ZBUHXHZIRNUNJD-DJSGYFEHSA-N 1 0 378.427 1.984 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)c1snc(Cl)c1-c1nn[nH]n1 ZINC001574918571 948850378 /nfs/dbraw/zinc/85/03/78/948850378.db2.gz NQKCWIGQROOIRS-SECBINFHSA-N 1 0 386.913 1.259 20 0 GDADRO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001574088055 948906813 /nfs/dbraw/zinc/90/68/13/948906813.db2.gz ACYDAIFPHOVUTQ-YXISZKLHSA-N 1 0 384.459 1.844 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574432901 948942150 /nfs/dbraw/zinc/94/21/50/948942150.db2.gz OSLSCUQURXQMNM-RYUDHWBXSA-N 1 0 381.444 1.216 20 0 GDADRO CC(C)(C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573771871 948946532 /nfs/dbraw/zinc/94/65/32/948946532.db2.gz MXTFSHMOQODBNH-UHFFFAOYSA-N 1 0 383.378 1.579 20 0 GDADRO CC(F)(F)CCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575238430 948953879 /nfs/dbraw/zinc/95/38/79/948953879.db2.gz NAJWRGLUABKXIR-LBPRGKRZSA-N 1 0 386.378 1.008 20 0 GDADRO CC(C)(C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001573775280 949040308 /nfs/dbraw/zinc/04/03/08/949040308.db2.gz VOZLBPKXAPPWOX-LBPRGKRZSA-N 1 0 383.378 1.579 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1 ZINC001573775546 949043377 /nfs/dbraw/zinc/04/33/77/949043377.db2.gz YTMOPOGFQKCGSY-AWEZNQCLSA-N 1 0 376.436 1.009 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2ncccc2-c2nn[nH]n2)CCC1)[NH+]1CCCC1 ZINC001573779253 949052308 /nfs/dbraw/zinc/05/23/08/949052308.db2.gz FBEZUUNIKXEGRE-UHFFFAOYSA-N 1 0 384.488 1.587 20 0 GDADRO CC(C)c1nocc1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574442184 949092725 /nfs/dbraw/zinc/09/27/25/949092725.db2.gz LDYSYEKCSUVDIA-UHFFFAOYSA-N 1 0 382.428 1.772 20 0 GDADRO CC(C)c1ocnc1C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574447077 949149782 /nfs/dbraw/zinc/14/97/82/949149782.db2.gz FLESOEJLWJOLTI-GFCCVEGCSA-N 1 0 382.428 1.512 20 0 GDADRO CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCC1 ZINC001573786942 949155385 /nfs/dbraw/zinc/15/53/85/949155385.db2.gz IHWKKEJUGKWWCT-HNNXBMFYSA-N 1 0 384.488 1.221 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514582 949167573 /nfs/dbraw/zinc/16/75/73/949167573.db2.gz DAFJLLSWDWDNBP-STQMWFEESA-N 1 0 381.444 1.140 20 0 GDADRO C[C@H](CNC(=O)COc1cccnc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574934722 949175904 /nfs/dbraw/zinc/17/59/04/949175904.db2.gz PHJGGJITDHWPRA-GFCCVEGCSA-N 1 0 385.403 1.074 20 0 GDADRO CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)C(F)(F)F ZINC001573787577 949181744 /nfs/dbraw/zinc/18/17/44/949181744.db2.gz XNMWRDYVVMNQGP-IAZYJMLFSA-N 1 0 381.362 1.401 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1Cl)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001575253250 949183713 /nfs/dbraw/zinc/18/37/13/949183713.db2.gz JKJAQTORHKFQAP-MNOVXSKESA-N 1 0 392.895 1.705 20 0 GDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575516898 949213889 /nfs/dbraw/zinc/21/38/89/949213889.db2.gz RJMDNXBOSHACRG-YJYMSZOUSA-N 1 0 381.440 1.123 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574698968 949218734 /nfs/dbraw/zinc/21/87/34/949218734.db2.gz QPPFJBWPGFSYFH-OLZOCXBDSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574937185 949222469 /nfs/dbraw/zinc/22/24/69/949222469.db2.gz LXDCSWVQJWVGER-NSHDSACASA-N 1 0 387.394 1.369 20 0 GDADRO C[C@@H](NC(=O)[C@@]1(C)CCCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575255162 949225392 /nfs/dbraw/zinc/22/53/92/949225392.db2.gz PQMXCULNSUNNKC-VLIAUNLRSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)c1oncc1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574451545 949237957 /nfs/dbraw/zinc/23/79/57/949237957.db2.gz RWQWLFCNRRHUIH-UHFFFAOYSA-N 1 0 381.440 1.840 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574938379 949243254 /nfs/dbraw/zinc/24/32/54/949243254.db2.gz UNQBUOCKPTVLAJ-UAGQMJEPSA-N 1 0 391.479 1.869 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574700324 949257346 /nfs/dbraw/zinc/25/73/46/949257346.db2.gz ZOUPMMHKNVDSSU-KBPBESRZSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](c1ncccn1)[N@H+]1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 ZINC001575521226 949259832 /nfs/dbraw/zinc/25/98/32/949259832.db2.gz DRFYKXBWWASHDQ-JHJVBQTASA-N 1 0 381.444 1.044 20 0 GDADRO C[C@@H](NC(=O)C1=COCCC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575257768 949282442 /nfs/dbraw/zinc/28/24/42/949282442.db2.gz BRXIUIZOVJERLJ-GFCCVEGCSA-N 1 0 386.431 1.637 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574702783 949296428 /nfs/dbraw/zinc/29/64/28/949296428.db2.gz LQQNMNAFZLWQLU-ORAYPTAESA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CN(C)C(=O)C1(C(F)F)CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574703046 949302859 /nfs/dbraw/zinc/30/28/59/949302859.db2.gz PONCVLQQFHWJOM-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CN(C)C(=O)C1(C)CCOCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574703264 949318415 /nfs/dbraw/zinc/31/84/15/949318415.db2.gz UBSWVWBIJMIYMH-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574109716 949328628 /nfs/dbraw/zinc/32/86/28/949328628.db2.gz ARVOEZJTNRFMCN-DYVFJYSZSA-N 1 0 390.463 1.757 20 0 GDADRO CC1(C(=O)N(CCO)CC[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCC1 ZINC001575526096 949359115 /nfs/dbraw/zinc/35/91/15/949359115.db2.gz URAFUKMOJOBSBW-UHFFFAOYSA-N 1 0 376.436 1.107 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCC1(F)F)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260818 949362863 /nfs/dbraw/zinc/36/28/63/949362863.db2.gz XSCXBRCULLBWAY-NHYWBVRUSA-N 1 0 376.411 1.849 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574704375 949382439 /nfs/dbraw/zinc/38/24/39/949382439.db2.gz BSLBSEYQVVYFND-GRTSSRMGSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H](CNC(=O)Cc1ncccc1F)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574944399 949389176 /nfs/dbraw/zinc/38/91/76/949389176.db2.gz CTLLCDNGNJAWKW-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001575265253 949441767 /nfs/dbraw/zinc/44/17/67/949441767.db2.gz SNSUDYNHBCGHNI-QWHCGFSZSA-N 1 0 387.492 1.082 20 0 GDADRO CC1(C(=O)N2CCC(O)(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)CC1 ZINC001575537055 949483766 /nfs/dbraw/zinc/48/37/66/949483766.db2.gz RAKJIAXAUXAVAF-UHFFFAOYSA-N 1 0 388.447 1.249 20 0 GDADRO C[C@H](CNC(=O)Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574949334 949490920 /nfs/dbraw/zinc/49/09/20/949490920.db2.gz UHAPROSQVAKLAY-SECBINFHSA-N 1 0 380.865 1.073 20 0 GDADRO C[C@H](NC(=O)C[C@H]1CCCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575267680 949502165 /nfs/dbraw/zinc/50/21/65/949502165.db2.gz JLQFNTFQASLQNO-GOEBONIOSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)N1CC[NH+](C)CC1 ZINC001574949698 949503332 /nfs/dbraw/zinc/50/33/32/949503332.db2.gz AXUNHISNCUVSGD-CYBMUJFWSA-N 1 0 389.508 1.181 20 0 GDADRO C[C@H](CN(C)C(=O)C=Cc1ccc[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574710786 949516886 /nfs/dbraw/zinc/51/68/86/949516886.db2.gz BMCHASLJBCROTI-FWPCIQOSSA-N 1 0 383.431 1.984 20 0 GDADRO C[C@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711105 949523209 /nfs/dbraw/zinc/52/32/09/949523209.db2.gz DENHVJOBUIBXMD-CYBMUJFWSA-N 1 0 377.452 1.357 20 0 GDADRO C[C@@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711173 949527571 /nfs/dbraw/zinc/52/75/71/949527571.db2.gz DXTIJBVEMURCNX-JTQLQIEISA-N 1 0 385.394 1.921 20 0 GDADRO C[C@H](CC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574471382 949533651 /nfs/dbraw/zinc/53/36/51/949533651.db2.gz MPOGBGXIJZSXJE-IUDNXUCKSA-N 1 0 392.467 1.674 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574711521 949542245 /nfs/dbraw/zinc/54/22/45/949542245.db2.gz IISVXQIOJFKNBL-NSHDSACASA-N 1 0 392.895 1.516 20 0 GDADRO C[C@@H](CC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574471887 949542597 /nfs/dbraw/zinc/54/25/97/949542597.db2.gz OPRNPIQDEUTGAK-NFOMZHRRSA-N 1 0 380.456 1.538 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575872360 949545204 /nfs/dbraw/zinc/54/52/04/949545204.db2.gz IJRWVTFLRUNAQD-ZFWWWQNUSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575540205 949560516 /nfs/dbraw/zinc/56/05/16/949560516.db2.gz VVTPXABVXUWLLU-BEFAXECRSA-N 1 0 388.447 1.513 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1csnn1 ZINC001573810764 949576142 /nfs/dbraw/zinc/57/61/42/949576142.db2.gz BZCCTAQKBHHGMP-AWEZNQCLSA-N 1 0 386.485 1.653 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574956717 949587232 /nfs/dbraw/zinc/58/72/32/949587232.db2.gz MLJHUJFDPCMTOT-LTUQZUHASA-N 1 0 382.468 1.227 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ccncn1 ZINC001573811195 949597390 /nfs/dbraw/zinc/59/73/90/949597390.db2.gz ISRBGGXAGWFHNL-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574126980 949605073 /nfs/dbraw/zinc/60/50/73/949605073.db2.gz CTUHPTAEJHKVMI-KRWDZBQOSA-N 1 0 388.516 1.848 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCCOC1 ZINC001573812639 949622447 /nfs/dbraw/zinc/62/24/47/949622447.db2.gz SODMKFQTQHTUAG-DOMZBBRYSA-N 1 0 392.529 1.975 20 0 GDADRO C[C@H](CN(C)C(=O)CC1(O)CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574714087 949623421 /nfs/dbraw/zinc/62/34/21/949623421.db2.gz BWIUXWKVRCMNAC-GFCCVEGCSA-N 1 0 376.436 1.247 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cnco1 ZINC001573813192 949626051 /nfs/dbraw/zinc/62/60/51/949626051.db2.gz WOHOENXVBHOHBN-OAHLLOKOSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575272097 949633242 /nfs/dbraw/zinc/63/32/42/949633242.db2.gz NIUKGUAILOJTAA-MNOVXSKESA-N 1 0 380.884 1.562 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576168929 949653812 /nfs/dbraw/zinc/65/38/12/949653812.db2.gz WTDCELJUYSQUKK-CJNGLKHVSA-N 1 0 385.472 1.028 20 0 GDADRO CC(C)[C@@H](C(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nn[nH]n2)s1)[NH+](C)C ZINC001574958219 949660440 /nfs/dbraw/zinc/66/04/40/949660440.db2.gz OMPQLJLAFYHIHY-BDAKNGLRSA-N 1 0 386.913 1.479 20 0 GDADRO C[C@@H]1[C@H](NC(=O)CCCC(N)=O)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575877773 949671019 /nfs/dbraw/zinc/67/10/19/949671019.db2.gz MYAUFELJQZOJDB-DGCLKSJQSA-N 1 0 391.501 1.053 20 0 GDADRO C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576169259 949671000 /nfs/dbraw/zinc/67/10/00/949671000.db2.gz GAXKEBGIXQBPPZ-GUYCJALGSA-N 1 0 380.456 1.293 20 0 GDADRO C[C@@H](NC(=O)CC[C@H]1CCOC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575274138 949676811 /nfs/dbraw/zinc/67/68/11/949676811.db2.gz ZCUTWXGMDBDNHY-CABCVRRESA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H](C)n1ccnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574716126 949682722 /nfs/dbraw/zinc/68/27/22/949682722.db2.gz MWPQAVXFTITYHW-CABCVRRESA-N 1 0 382.472 1.651 20 0 GDADRO C[C@H](NC(=O)CCc1c[nH]cn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575274530 949686691 /nfs/dbraw/zinc/68/66/91/949686691.db2.gz AENHRDBTCJFETE-ZDUSSCGKSA-N 1 0 380.456 1.159 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574959817 949721375 /nfs/dbraw/zinc/72/13/75/949721375.db2.gz UONNHDWXNXPKKZ-IAOVAPTHSA-N 1 0 394.483 1.340 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C[NH2+]Cc1cncs1 ZINC001576170540 949724680 /nfs/dbraw/zinc/72/46/80/949724680.db2.gz MEUDCGJAXGRAGR-ABAIWWIYSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@H](CN(C)C(=O)CC1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574717241 949728742 /nfs/dbraw/zinc/72/87/42/949728742.db2.gz OHRKKQQQEMLQCN-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574964096 949764077 /nfs/dbraw/zinc/76/40/77/949764077.db2.gz QDHZAMBIJHEOID-AGIUHOORSA-N 1 0 375.452 1.653 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@]1(C)CCOC1 ZINC001575559962 949772562 /nfs/dbraw/zinc/77/25/62/949772562.db2.gz ZUCGIZNTXONVAQ-UZLBHIALSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1ccnc1 ZINC001574481406 949779620 /nfs/dbraw/zinc/77/96/20/949779620.db2.gz PJUGADHSXCBAID-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1ccnc1 ZINC001574481980 949812583 /nfs/dbraw/zinc/81/25/83/949812583.db2.gz YHYUZYPNUTYWRQ-CHWSQXEVSA-N 1 0 386.485 1.467 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575281744 949820189 /nfs/dbraw/zinc/82/01/89/949820189.db2.gz AOWPSWZGRTUMNP-DTWKUNHWSA-N 1 0 386.913 1.622 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001576172917 949826180 /nfs/dbraw/zinc/82/61/80/949826180.db2.gz ZIURVYCLRNHIBS-ZFWWWQNUSA-N 1 0 387.492 1.036 20 0 GDADRO CC(C)C[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001574140790 949839757 /nfs/dbraw/zinc/83/97/57/949839757.db2.gz QISDAAMKGMBGQY-QGTPRVQTSA-N 1 0 386.500 1.600 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574723656 949858646 /nfs/dbraw/zinc/85/86/46/949858646.db2.gz ATKDDEJGYIXTOW-GFCCVEGCSA-N 1 0 388.501 1.231 20 0 GDADRO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574724639 949874735 /nfs/dbraw/zinc/87/47/35/949874735.db2.gz IMXIOEXNQGCXGI-LLVKDONJSA-N 1 0 380.884 1.514 20 0 GDADRO C[C@H](CNC(=O)c1c(F)cncc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574968132 949887721 /nfs/dbraw/zinc/88/77/21/949887721.db2.gz LXVMMBUPIVWJJK-SECBINFHSA-N 1 0 391.357 1.587 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1C[NH2+]Cc1nccs1 ZINC001576178629 949892802 /nfs/dbraw/zinc/89/28/02/949892802.db2.gz CICVQRJIOHDEEF-FZMZJTMJSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001575568622 949900791 /nfs/dbraw/zinc/90/07/91/949900791.db2.gz AYSCRGGHNGSUSV-IBGZPJMESA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](CC(=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001574484795 949904339 /nfs/dbraw/zinc/90/43/39/949904339.db2.gz OLJJWQZQVFUTTN-DZGCQCFKSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575284534 949906023 /nfs/dbraw/zinc/90/60/23/949906023.db2.gz JFZGMCQQWFXRLG-ZBFHGGJFSA-N 1 0 384.488 1.079 20 0 GDADRO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001574144225 949909102 /nfs/dbraw/zinc/90/91/02/949909102.db2.gz LRFUIUATAGWWTQ-HIFRSBDPSA-N 1 0 375.477 1.308 20 0 GDADRO C[C@H](CN(C)C(=O)C[NH+]1CCCC1)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574725929 949915958 /nfs/dbraw/zinc/91/59/58/949915958.db2.gz VZMBKNRWYQUJQG-SECBINFHSA-N 1 0 384.897 1.331 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cc[nH]n2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576180379 949950697 /nfs/dbraw/zinc/95/06/97/949950697.db2.gz HJPDTHJUHMKEMB-SMDDNHRTSA-N 1 0 386.485 1.682 20 0 GDADRO CC(C)(C)/C=C\C(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573829217 949951985 /nfs/dbraw/zinc/95/19/85/949951985.db2.gz XQDUJBYSPLDBAW-AFNCTOJWSA-N 1 0 376.436 1.175 20 0 GDADRO CC1(C)C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575574521 950016032 /nfs/dbraw/zinc/01/60/32/950016032.db2.gz VUTLJEUDDJWXKC-UZLBHIALSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576181730 950019110 /nfs/dbraw/zinc/01/91/10/950019110.db2.gz JGMVVAWBWUXHAQ-GDBMZVCRSA-N 1 0 386.500 1.602 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCCOC1 ZINC001574150306 950027098 /nfs/dbraw/zinc/02/70/98/950027098.db2.gz BERLSXTXJMKTKW-KGLIPLIRSA-N 1 0 392.529 1.975 20 0 GDADRO C[C@@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCCC2)CCOC1 ZINC001575575047 950040206 /nfs/dbraw/zinc/04/02/06/950040206.db2.gz CQVMGSXMWYJJRF-LJQANCHMSA-N 1 0 384.484 1.812 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cocn1 ZINC001574150898 950044819 /nfs/dbraw/zinc/04/48/19/950044819.db2.gz GNJZZBCKUKDCJE-CYBMUJFWSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cn[nH]n1 ZINC001574150981 950048941 /nfs/dbraw/zinc/04/89/41/950048941.db2.gz IPDZPQQLWLIYTO-ZDUSSCGKSA-N 1 0 387.423 1.058 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151123 950054239 /nfs/dbraw/zinc/05/42/39/950054239.db2.gz LKIPPGKYFFQBSL-ZFWWWQNUSA-N 1 0 375.477 1.356 20 0 GDADRO C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576182440 950057909 /nfs/dbraw/zinc/05/79/09/950057909.db2.gz LKKZRXWRAWGAAX-LSDHHAIUSA-N 1 0 384.488 1.254 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C1=COCCO1 ZINC001574151137 950059774 /nfs/dbraw/zinc/05/97/74/950059774.db2.gz LQYADQBLKSILIA-MRXNPFEDSA-N 1 0 386.456 1.375 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnco1 ZINC001574151282 950066877 /nfs/dbraw/zinc/06/68/77/950066877.db2.gz OOOSIAPVBIWIMU-AWEZNQCLSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1N(C)C ZINC001574976379 950073507 /nfs/dbraw/zinc/07/35/07/950073507.db2.gz RNHFCFSCDIJGMZ-ZDUSSCGKSA-N 1 0 382.472 1.511 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnco1 ZINC001574151547 950083981 /nfs/dbraw/zinc/08/39/81/950083981.db2.gz UVPYXEWYNXOCAI-CQSZACIVSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C1CCOCC1 ZINC001574151793 950094507 /nfs/dbraw/zinc/09/45/07/950094507.db2.gz YEJVOMIWQJKDCS-SFHVURJKSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)CC(=O)NCCN1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573838860 950119376 /nfs/dbraw/zinc/11/93/76/950119376.db2.gz JOMSIERQEHOWNY-UHFFFAOYSA-N 1 0 385.516 1.537 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575582760 950126339 /nfs/dbraw/zinc/12/63/39/950126339.db2.gz GQEBNQSNRSKEAC-IFXJQAMLSA-N 1 0 385.472 1.411 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576184435 950127036 /nfs/dbraw/zinc/12/70/36/950127036.db2.gz WJJUOZXLHNJVCZ-CXAGYDPISA-N 1 0 381.440 1.885 20 0 GDADRO CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573839394 950130975 /nfs/dbraw/zinc/13/09/75/950130975.db2.gz TYZVUIAPLAFHBB-MRXNPFEDSA-N 1 0 388.516 1.896 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@H](C)c1ccc(F)cc1F ZINC001574978350 950135724 /nfs/dbraw/zinc/13/57/24/950135724.db2.gz RZJSTOPUULTWON-NXEZZACHSA-N 1 0 375.383 1.942 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574153288 950139506 /nfs/dbraw/zinc/13/95/06/950139506.db2.gz QZGNZOOAXMKFJN-BGTYHANMSA-N 1 0 384.484 1.380 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cnccn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575897700 950143481 /nfs/dbraw/zinc/14/34/81/950143481.db2.gz QFVIVSUMSAYYSM-CJNGLKHVSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCc1c(F)cccc1F ZINC001574979064 950145830 /nfs/dbraw/zinc/14/58/30/950145830.db2.gz VRLIPYXEKQUXSK-JTQLQIEISA-N 1 0 375.383 1.424 20 0 GDADRO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001574494016 950151019 /nfs/dbraw/zinc/15/10/19/950151019.db2.gz WQXNGYSHYYEKQM-PBHICJAKSA-N 1 0 380.456 1.405 20 0 GDADRO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)C1CC[NH+](C)CC1 ZINC001574153734 950151384 /nfs/dbraw/zinc/15/13/84/950151384.db2.gz WOHQUEBPOBXBEV-INIZCTEOSA-N 1 0 386.504 1.546 20 0 GDADRO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574154524 950174057 /nfs/dbraw/zinc/17/40/57/950174057.db2.gz FFHLAUCBEJAHPR-FVQBIDKESA-N 1 0 386.504 1.545 20 0 GDADRO CC(C)C[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001574154614 950174481 /nfs/dbraw/zinc/17/44/81/950174481.db2.gz FJAZWOVAPAVMQG-ZDUSSCGKSA-N 1 0 377.468 1.900 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575584949 950180965 /nfs/dbraw/zinc/18/09/65/950180965.db2.gz UHNVXXVDVSCRKI-FOIQADDNSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C[NH2+]Cc1ccccn1 ZINC001576191224 950189154 /nfs/dbraw/zinc/18/91/54/950189154.db2.gz HCCJAHVBOCECRM-HIFRSBDPSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2csnn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575900071 950190426 /nfs/dbraw/zinc/19/04/26/950190426.db2.gz BRKBYMHTQSZVBP-BXUZGUMPSA-N 1 0 384.469 1.501 20 0 GDADRO CC(C)(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001573844368 950191682 /nfs/dbraw/zinc/19/16/82/950191682.db2.gz HUGKQISVASPDPF-AWEZNQCLSA-N 1 0 387.488 1.594 20 0 GDADRO C[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001576191415 950196123 /nfs/dbraw/zinc/19/61/23/950196123.db2.gz GBLMPSFGSPJWGB-AWEZNQCLSA-N 1 0 389.479 1.997 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccco1 ZINC001574495207 950198641 /nfs/dbraw/zinc/19/86/41/950198641.db2.gz RNIDQBNBTPQVQL-NEPJUHHUSA-N 1 0 390.469 1.282 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C[NH2+]CCOC1CCC1 ZINC001576191728 950208328 /nfs/dbraw/zinc/20/83/28/950208328.db2.gz JMZNQJRDLISTJG-UKRRQHHQSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cncs1 ZINC001575901178 950221423 /nfs/dbraw/zinc/22/14/23/950221423.db2.gz LYNWCADZEJIAES-HZMBPMFUSA-N 1 0 387.444 1.855 20 0 GDADRO CC1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575586761 950222174 /nfs/dbraw/zinc/22/21/74/950222174.db2.gz JOIWKNLXDDQMEH-HNNXBMFYSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c(F)cncc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574740215 950223135 /nfs/dbraw/zinc/22/31/35/950223135.db2.gz CCPUAYKPVBAAJW-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)CC1(O)CCC1 ZINC001575901613 950232683 /nfs/dbraw/zinc/23/26/83/950232683.db2.gz OVCDUKBBBDTKIE-WBMJQRKESA-N 1 0 388.447 1.390 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)COC(C)(C)C ZINC001575902078 950249619 /nfs/dbraw/zinc/24/96/19/950249619.db2.gz SCZYNKLTNNDJJL-LRDDRELGSA-N 1 0 390.463 1.900 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cscn1 ZINC001575902897 950275244 /nfs/dbraw/zinc/27/52/44/950275244.db2.gz XXUGZWUOPUCBHA-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575903233 950275968 /nfs/dbraw/zinc/27/59/68/950275968.db2.gz YZBPQBOVXJLVDB-MEBBXXQBSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)c1ccncc1 ZINC001574498662 950278736 /nfs/dbraw/zinc/27/87/36/950278736.db2.gz PFHSXCSVLWGBPC-CQSZACIVSA-N 1 0 392.467 1.723 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccncc1 ZINC001575904800 950284900 /nfs/dbraw/zinc/28/49/00/950284900.db2.gz ATLSKZMJFFZJRF-PXAZEXFGSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cncnc1 ZINC001575905131 950289332 /nfs/dbraw/zinc/28/93/32/950289332.db2.gz BJQBVRFWDVPECR-BZNIZROVSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccn(C)c1 ZINC001575905174 950289449 /nfs/dbraw/zinc/28/94/49/950289449.db2.gz BUITWGFRVIEWNG-SJCJKPOMSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1ccco1 ZINC001575906035 950301930 /nfs/dbraw/zinc/30/19/30/950301930.db2.gz GCOVTUVTMSKREV-SJKOYZFVSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccnn1C ZINC001575906066 950306613 /nfs/dbraw/zinc/30/66/13/950306613.db2.gz GNKGYFVLQOWTHG-IAQYHMDHSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H](CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574500231 950309851 /nfs/dbraw/zinc/30/98/51/950309851.db2.gz YMAZUBSSAVIGBY-KPPDAEKUSA-N 1 0 383.378 1.579 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1nccs1 ZINC001575906361 950310897 /nfs/dbraw/zinc/31/08/97/950310897.db2.gz HXPADLYGDBZOCO-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H](CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001574500371 950311869 /nfs/dbraw/zinc/31/18/69/950311869.db2.gz ZVTMOYPPNKTTEF-KPZWWZAWSA-N 1 0 390.513 1.417 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cccc1 ZINC001574159941 950328232 /nfs/dbraw/zinc/32/82/32/950328232.db2.gz ZYLJSJPSMMYEFO-OAHLLOKOSA-N 1 0 382.472 1.518 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cn(C)cn1 ZINC001575907420 950335789 /nfs/dbraw/zinc/33/57/89/950335789.db2.gz ONTSTMMWPLULDP-ABAIWWIYSA-N 1 0 384.419 1.132 20 0 GDADRO CC(C)C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574160232 950337820 /nfs/dbraw/zinc/33/78/20/950337820.db2.gz MNLMBBGEGJRUDE-OCCSQVGLSA-N 1 0 390.467 1.295 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccn(C)c1 ZINC001575907978 950345647 /nfs/dbraw/zinc/34/56/47/950345647.db2.gz SDAXRPWNZZOCTN-SJKOYZFVSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575907963 950346108 /nfs/dbraw/zinc/34/61/08/950346108.db2.gz RZRDPAZLYKKRIF-ZUZCIYMTSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H](CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCO1 ZINC001574501867 950347292 /nfs/dbraw/zinc/34/72/92/950347292.db2.gz HBGAFHLBISMWCO-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cscn1 ZINC001575907826 950348223 /nfs/dbraw/zinc/34/82/23/950348223.db2.gz RGARCSKZZLUWRS-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@]1(C(=O)NCC[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575596148 950370032 /nfs/dbraw/zinc/37/00/32/950370032.db2.gz SCMGGFYGFQNLRW-MGPUTAFESA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cnsn1 ZINC001575908603 950372473 /nfs/dbraw/zinc/37/24/73/950372473.db2.gz VPTHKFNMBWXHKV-WPRPVWTQSA-N 1 0 376.471 1.173 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCC[C@@H](Nc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576196952 950378027 /nfs/dbraw/zinc/37/80/27/950378027.db2.gz KEGMOQPJRCZSJI-OAHLLOKOSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575909155 950385285 /nfs/dbraw/zinc/38/52/85/950385285.db2.gz FVFGEBISRPTLDU-ZFWWWQNUSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)CC(C)(C)O ZINC001575909371 950394237 /nfs/dbraw/zinc/39/42/37/950394237.db2.gz ZEEIUUHPKDWYTN-ABAIWWIYSA-N 1 0 376.436 1.246 20 0 GDADRO CC(C)C[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574162917 950407935 /nfs/dbraw/zinc/40/79/35/950407935.db2.gz MXYQDZFRZKERAO-UONOGXRCSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCc1c(F)cccc1F ZINC001574747773 950417604 /nfs/dbraw/zinc/41/76/04/950417604.db2.gz XBSWAQKSDFFJHE-NSHDSACASA-N 1 0 389.410 1.766 20 0 GDADRO C[C@@H](CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574504011 950423499 /nfs/dbraw/zinc/42/34/99/950423499.db2.gz ZHEWYVUEVJJOLV-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cc(Cl)no1 ZINC001575910619 950425488 /nfs/dbraw/zinc/42/54/88/950425488.db2.gz MLQPCYIQDHKGFC-ZWNOBZJWSA-N 1 0 387.831 1.901 20 0 GDADRO C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576202878 950437777 /nfs/dbraw/zinc/43/77/77/950437777.db2.gz DNTTUZBGSWQQGL-UONOGXRCSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C(C)(C)C)C1 ZINC001576203237 950441009 /nfs/dbraw/zinc/44/10/09/950441009.db2.gz FMFZPQMFOCGZEL-XJKSGUPXSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H](CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001574507204 950455922 /nfs/dbraw/zinc/45/59/22/950455922.db2.gz FYFGCSNRDZSGQW-CQSZACIVSA-N 1 0 382.472 1.342 20 0 GDADRO C[C@H](C[C@@H](C)Nc1ccc(-c2nn[nH]n2)cn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204959 950489106 /nfs/dbraw/zinc/48/91/06/950489106.db2.gz SUQRMHATLBSBAQ-HUUCEWRRSA-N 1 0 386.504 1.689 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001576205222 950500453 /nfs/dbraw/zinc/50/04/53/950500453.db2.gz HKRALEPOOFEHNQ-CHWSQXEVSA-N 1 0 375.452 1.289 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1ncccn1 ZINC001575914756 950501387 /nfs/dbraw/zinc/50/13/87/950501387.db2.gz VVCNCHOGWCCPLT-PBHICJAKSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cnccn1 ZINC001575915385 950508508 /nfs/dbraw/zinc/50/85/08/950508508.db2.gz WYGVSTISEYJABA-KSSFIOAISA-N 1 0 392.467 1.369 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cnccn1 ZINC001575915382 950509786 /nfs/dbraw/zinc/50/97/86/950509786.db2.gz WYGVSTISEYJABA-KDOFPFPSSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001574995406 950511658 /nfs/dbraw/zinc/51/16/58/950511658.db2.gz ZKHUCMBGNSLFCI-PSLIRLAXSA-N 1 0 387.394 1.868 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573867100 950518957 /nfs/dbraw/zinc/51/89/57/950518957.db2.gz PJAWIPMJESKVSH-LBPRGKRZSA-N 1 0 378.502 1.824 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(O)ccc1Cl ZINC001574753616 950532211 /nfs/dbraw/zinc/53/22/11/950532211.db2.gz FRRZVNHBUQZJLF-JTQLQIEISA-N 1 0 389.847 1.804 20 0 GDADRO CC(C)(C)OCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2C1 ZINC001573868510 950543522 /nfs/dbraw/zinc/54/35/22/950543522.db2.gz CXGGPNGKXXFKQC-BETUJISGSA-N 1 0 390.513 1.634 20 0 GDADRO C[C@@H]1[C@H](Nc2ccc(-c3nn[nH]n3)nn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575916854 950548148 /nfs/dbraw/zinc/54/81/48/950548148.db2.gz SSNWBNONICXYNZ-CHWSQXEVSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCCC2(CNc3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001576206304 950569237 /nfs/dbraw/zinc/56/92/37/950569237.db2.gz WDMGPXDHVOEEPM-CQSZACIVSA-N 1 0 384.488 1.302 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(F)F)ncn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574999045 950570022 /nfs/dbraw/zinc/57/00/22/950570022.db2.gz DWMRAFYBTBPTBK-SNVBAGLBSA-N 1 0 388.382 1.502 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001576206911 950581005 /nfs/dbraw/zinc/58/10/05/950581005.db2.gz ZPSWWRUAWJWTKU-GOSISDBHSA-N 1 0 383.500 1.289 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574755753 950594699 /nfs/dbraw/zinc/59/46/99/950594699.db2.gz VFPISDOHLMYJAA-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573870504 950596120 /nfs/dbraw/zinc/59/61/20/950596120.db2.gz XENGBBJFOZIFAU-ZFWWWQNUSA-N 1 0 387.488 1.586 20 0 GDADRO CC(C)(C)OCC(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCC1 ZINC001573871586 950624326 /nfs/dbraw/zinc/62/43/26/950624326.db2.gz SQFSAYCVGMWIPK-UHFFFAOYSA-N 1 0 390.463 1.949 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573873066 950635685 /nfs/dbraw/zinc/63/56/85/950635685.db2.gz DTLDQFPCOQBQEQ-HDJSIYSDSA-N 1 0 376.436 1.558 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575922658 950650434 /nfs/dbraw/zinc/65/04/34/950650434.db2.gz ACACJFKECPTMDT-MFKMUULPSA-N 1 0 380.412 1.264 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccnc(C2CC2)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574759978 950652620 /nfs/dbraw/zinc/65/26/20/950652620.db2.gz RBLINKNDCIHRTR-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO CC[NH+]1CCN(CCC[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC1 ZINC001589744413 950653541 /nfs/dbraw/zinc/65/35/41/950653541.db2.gz OVYNNIRIBYLRNR-KRWDZBQOSA-N 1 0 378.517 1.698 20 0 GDADRO C[C@@H]1[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575922948 950653768 /nfs/dbraw/zinc/65/37/68/950653768.db2.gz BAUMOVXQQNURKM-OLZOCXBDSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccccn1 ZINC001575923516 950664919 /nfs/dbraw/zinc/66/49/19/950664919.db2.gz BSZGZAHYSFHHHE-XJKSGUPXSA-N 1 0 378.440 1.113 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925216 950680435 /nfs/dbraw/zinc/68/04/35/950680435.db2.gz GPASDOHIRFTCKB-SMDDNHRTSA-N 1 0 391.439 1.066 20 0 GDADRO C[C@H](CNC(=O)c1cc2n(c1)CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575005495 950686155 /nfs/dbraw/zinc/68/61/55/950686155.db2.gz GJRFUIMYLLIFJW-CQSZACIVSA-N 1 0 379.468 1.913 20 0 GDADRO CC1(C)CC(C(=O)N2CCCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001575625761 950697153 /nfs/dbraw/zinc/69/71/53/950697153.db2.gz WAFNAVJFCGJDQL-AWEZNQCLSA-N 1 0 385.472 1.149 20 0 GDADRO CC1(C)CC(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001575629551 950737952 /nfs/dbraw/zinc/73/79/52/950737952.db2.gz PBLJKAPHPOGJQY-HXUWFJFHSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](CN(C)C(=O)c1cncs1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574764528 950752576 /nfs/dbraw/zinc/75/25/76/950752576.db2.gz VCAMIKGGRQKKJB-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO CC(C)OCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574521007 950760407 /nfs/dbraw/zinc/76/04/07/950760407.db2.gz CFWRMNRELNJEEA-STQMWFEESA-N 1 0 378.452 1.804 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnns1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574764791 950762557 /nfs/dbraw/zinc/76/25/57/950762557.db2.gz YMFAYOAJSFPKEM-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COC1CCCCC1 ZINC001575928094 950773028 /nfs/dbraw/zinc/77/30/28/950773028.db2.gz YMYVEGFTDXMERQ-CJNGLKHVSA-N 1 0 385.472 1.434 20 0 GDADRO CC(C)c1noc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001575009092 950774293 /nfs/dbraw/zinc/77/42/93/950774293.db2.gz NHKWJSJCJHBSRS-MNOVXSKESA-N 1 0 387.448 1.418 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCn1cccn1 ZINC001574521286 950775477 /nfs/dbraw/zinc/77/54/77/950775477.db2.gz DVMVOJUUERHQJP-HUUCEWRRSA-N 1 0 382.472 1.526 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574765226 950776332 /nfs/dbraw/zinc/77/63/32/950776332.db2.gz AKRVDMXQEGJVMF-NSHDSACASA-N 1 0 384.444 1.542 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCc1ccon1 ZINC001574522151 950788368 /nfs/dbraw/zinc/78/83/68/950788368.db2.gz ITFWHGPBHPLNBB-ZIAGYGMSSA-N 1 0 383.456 1.860 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cncs1 ZINC001574522182 950790535 /nfs/dbraw/zinc/79/05/35/950790535.db2.gz JCKHOWAHQSRQNA-QWHCGFSZSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1cc[nH]n1 ZINC001574522145 950790586 /nfs/dbraw/zinc/79/05/86/950790586.db2.gz ISLISBZSWIKPCU-NWDGAFQWSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1ccnc1 ZINC001574522198 950794997 /nfs/dbraw/zinc/79/49/97/950794997.db2.gz JJCPAFFJJIOUDE-QWHCGFSZSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C1=CCOCC1 ZINC001574522557 950798638 /nfs/dbraw/zinc/79/86/38/950798638.db2.gz KWCXXJPNYYPGQB-QWHCGFSZSA-N 1 0 388.447 1.725 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574522842 950801555 /nfs/dbraw/zinc/80/15/55/950801555.db2.gz LINHWAUOMNXTIL-OLZOCXBDSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1ccn(C)n1 ZINC001574523107 950808882 /nfs/dbraw/zinc/80/88/82/950808882.db2.gz MAPSRRFHCCZUHY-KBPBESRZSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C1CCOCC1 ZINC001574523870 950833320 /nfs/dbraw/zinc/83/33/20/950833320.db2.gz RNVJBUXKCMKPSN-QWHCGFSZSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1ncc[nH]1 ZINC001574523865 950834834 /nfs/dbraw/zinc/83/48/34/950834834.db2.gz RMOLWQDCHNPASM-NWDGAFQWSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](CN(C)C(=O)c1csnn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574767286 950841237 /nfs/dbraw/zinc/84/12/37/950841237.db2.gz PLMJKNVFFRLRIE-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1ncc[nH]1 ZINC001574524134 950847494 /nfs/dbraw/zinc/84/74/94/950847494.db2.gz UCKZVPIZIBWWKF-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cn1ccnc1 ZINC001574524471 950860690 /nfs/dbraw/zinc/86/06/90/950860690.db2.gz WVAMWPHOQJTJNL-STQMWFEESA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576222094 950862256 /nfs/dbraw/zinc/86/22/56/950862256.db2.gz XGJIFZDORRARPS-SUMWQHHRSA-N 1 0 392.467 1.315 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(CO)cc1 ZINC001574527139 950877395 /nfs/dbraw/zinc/87/73/95/950877395.db2.gz AAKXWJUELLQNLN-OLZOCXBDSA-N 1 0 383.456 1.374 20 0 GDADRO CC(C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001574189514 950890419 /nfs/dbraw/zinc/89/04/19/950890419.db2.gz MVEZTVDCPNNMDZ-QZTJIDSGSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncccc1O)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574768626 950895456 /nfs/dbraw/zinc/89/54/56/950895456.db2.gz ZWRBFLKMIOPVDS-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001573893969 950915255 /nfs/dbraw/zinc/91/52/55/950915255.db2.gz GLGBMDHOHXCMLF-HAQNSBGRSA-N 1 0 381.444 1.008 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc2n(n1)CCC2)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574528074 950923402 /nfs/dbraw/zinc/92/34/02/950923402.db2.gz KPWZYRPYSKIJRQ-RYUDHWBXSA-N 1 0 383.460 1.024 20 0 GDADRO C[C@H](C[N@H+](C)CCOc1ccc(F)cc1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771536 950926149 /nfs/dbraw/zinc/92/61/49/950926149.db2.gz FYQKJQGHGOPZGF-GFCCVEGCSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574771571 950926675 /nfs/dbraw/zinc/92/66/75/950926675.db2.gz GRUUYBYBZMMFNT-WBMJQRKESA-N 1 0 375.452 1.037 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1csnn1 ZINC001574528487 950931535 /nfs/dbraw/zinc/93/15/35/950931535.db2.gz MWPQUQVAJIRTMJ-UWVGGRQHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001575937960 950961056 /nfs/dbraw/zinc/96/10/56/950961056.db2.gz IAKQKXYVFJWYSN-CRAIPNDOSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](C[N@H+](C)CCCC1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574772344 950967310 /nfs/dbraw/zinc/96/73/10/950967310.db2.gz RTUXOYYGINTQMF-CYBMUJFWSA-N 1 0 375.477 1.452 20 0 GDADRO CC(C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001574195364 950981539 /nfs/dbraw/zinc/98/15/39/950981539.db2.gz MGPSVIHWVXHVFI-MSOLQXFVSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cncn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574530473 950982065 /nfs/dbraw/zinc/98/20/65/950982065.db2.gz UUJVLHSAIGGJBF-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575644328 950985883 /nfs/dbraw/zinc/98/58/83/950985883.db2.gz SONKYDGZASKESN-OXQOHEQNSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@H]1CCCCO1 ZINC001574774444 950999691 /nfs/dbraw/zinc/99/96/91/950999691.db2.gz CNLMVFCDILGWAT-UKRRQHHQSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)Oc1ccccc1C[NH2+][C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575019256 951033630 /nfs/dbraw/zinc/03/36/30/951033630.db2.gz TVCSBEXMQZWEAZ-CYBMUJFWSA-N 1 0 383.456 1.890 20 0 GDADRO CC(C)Oc1ccccc1C[NH2+][C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575019260 951034785 /nfs/dbraw/zinc/03/47/85/951034785.db2.gz TVCSBEXMQZWEAZ-ZDUSSCGKSA-N 1 0 383.456 1.890 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575024098 951087497 /nfs/dbraw/zinc/08/74/97/951087497.db2.gz USWLFDWPMYKRKO-VIFPVBQESA-N 1 0 375.795 1.707 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(F)cn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575025501 951133079 /nfs/dbraw/zinc/13/30/79/951133079.db2.gz ZWXSHVNTFABLCH-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C(F)F)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575052211 951461064 /nfs/dbraw/zinc/46/10/64/951461064.db2.gz GBUBMGCZDMUEJV-JTQLQIEISA-N 1 0 376.371 1.366 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1O)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067855 951623404 /nfs/dbraw/zinc/62/34/04/951623404.db2.gz PPZAXAIISBSIKT-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@@H](O)C1CCCCC1 ZINC001575077128 951662656 /nfs/dbraw/zinc/66/26/56/951662656.db2.gz CYCDMHFUXRNFJK-BLLLJJGKSA-N 1 0 375.477 1.092 20 0 GDADRO C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077289 951666263 /nfs/dbraw/zinc/66/62/63/951666263.db2.gz FCAMWDHVEZKKQR-XDTLVQLUSA-N 1 0 382.390 1.749 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077442 951669645 /nfs/dbraw/zinc/66/96/45/951669645.db2.gz DAJNYPHMEHTOAS-MLGOLLRUSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077501 951669712 /nfs/dbraw/zinc/66/97/12/951669712.db2.gz FQORKXVWGBTWNZ-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CNC(=O)COC(C)(C)C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077673 951674365 /nfs/dbraw/zinc/67/43/65/951674365.db2.gz ICKUMFZJHYEVMG-LBPRGKRZSA-N 1 0 378.452 1.663 20 0 GDADRO C[C@H](CNC(=O)c1cccc(=O)[nH]1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079063 951687805 /nfs/dbraw/zinc/68/78/05/951687805.db2.gz PDTOWMGOXNDPNC-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575079331 951690454 /nfs/dbraw/zinc/69/04/54/951690454.db2.gz CXBVHQDSDHGGAU-GTNSWQLSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](C[NH2+]CCCC1CCOCC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575080208 951705984 /nfs/dbraw/zinc/70/59/84/951705984.db2.gz PRYOUXHASRRUBS-CYBMUJFWSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001575080543 951711951 /nfs/dbraw/zinc/71/19/51/951711951.db2.gz XZYDLMYJXAKRRQ-NSHDSACASA-N 1 0 386.460 1.636 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCC1(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080821 951717074 /nfs/dbraw/zinc/71/70/74/951717074.db2.gz NSOQGIYBBDPIAI-GWCFXTLKSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080888 951718090 /nfs/dbraw/zinc/71/80/90/951718090.db2.gz ZXMLMLFAHQBZLL-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)Cc1cncs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081196 951719201 /nfs/dbraw/zinc/71/92/01/951719201.db2.gz PRRCGLTVFJURAP-LLVKDONJSA-N 1 0 389.460 1.547 20 0 GDADRO C[C@](C[NH2+]CC1CC(F)(F)C1)(NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001575081361 951722428 /nfs/dbraw/zinc/72/24/28/951722428.db2.gz UAYIMCVXDNXCCN-MRXNPFEDSA-N 1 0 379.415 1.728 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H](O)c1ccccc1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575081452 951724269 /nfs/dbraw/zinc/72/42/69/951724269.db2.gz UZYBYJZGHPGZPL-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](CNC(=O)C1CCC(O)CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082031 951728709 /nfs/dbraw/zinc/72/87/09/951728709.db2.gz UMJIGHNRFRYVCR-LRVUVFPRSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001575082374 951732527 /nfs/dbraw/zinc/73/25/27/951732527.db2.gz XWICRDSPKZTUBA-BDJLRTHQSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575082605 951736428 /nfs/dbraw/zinc/73/64/28/951736428.db2.gz XQHCIOCNDDNRLC-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088511 951740280 /nfs/dbraw/zinc/74/02/80/951740280.db2.gz AKAXXEWZSDSUIC-YOEHRIQHSA-N 1 0 384.484 1.525 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001575088900 951744559 /nfs/dbraw/zinc/74/45/59/951744559.db2.gz COCVFIYAZIBOHW-HIFRSBDPSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1csnn1 ZINC001575089914 951756826 /nfs/dbraw/zinc/75/68/26/951756826.db2.gz ISZAPGXDWHCHQG-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO CC(C)n1cc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001575095130 951808049 /nfs/dbraw/zinc/80/80/49/951808049.db2.gz SCOFOYAHMIOTBW-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095112 951808347 /nfs/dbraw/zinc/80/83/47/951808347.db2.gz RVNJIRNJIXEAGJ-JTQLQIEISA-N 1 0 391.382 1.948 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575095426 951810345 /nfs/dbraw/zinc/81/03/45/951810345.db2.gz SZGIKDYMTUFLKN-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)COc1ccccc1 ZINC001575095788 951815346 /nfs/dbraw/zinc/81/53/46/951815346.db2.gz WRWUJYQKHXOLLW-OAHLLOKOSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1nccn1C ZINC001575099030 951828480 /nfs/dbraw/zinc/82/84/80/951828480.db2.gz HKINZEGKKHCGSN-LBPRGKRZSA-N 1 0 388.501 1.231 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001575101039 951852362 /nfs/dbraw/zinc/85/23/62/951852362.db2.gz XZMFSRWQODHRHS-LLVKDONJSA-N 1 0 388.501 1.566 20 0 GDADRO C[C@@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101139 951854394 /nfs/dbraw/zinc/85/43/94/951854394.db2.gz AIMXLRWQSXQXGD-KGLIPLIRSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)C[C@](C)(O)C1CC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101358 951857615 /nfs/dbraw/zinc/85/76/15/951857615.db2.gz CEDYRTWDKWWQPV-BUXKBTBVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C1(C)CCOCC1 ZINC001575101504 951860167 /nfs/dbraw/zinc/86/01/67/951860167.db2.gz FXKXATTUGULRTE-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)CC1(O)CCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101995 951865873 /nfs/dbraw/zinc/86/58/73/951865873.db2.gz KFBFMMMNEJFCQQ-GFCCVEGCSA-N 1 0 376.436 1.153 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575103047 951873847 /nfs/dbraw/zinc/87/38/47/951873847.db2.gz RLHKMBZXBYIERI-XFJVYGCCSA-N 1 0 390.513 1.680 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1ncccn1)C1CC1 ZINC001575106545 951905212 /nfs/dbraw/zinc/90/52/12/951905212.db2.gz RYGVUNUMJCJFHH-IBGZPJMESA-N 1 0 378.440 1.345 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001575107601 951918861 /nfs/dbraw/zinc/91/88/61/951918861.db2.gz GINPJRBNISHKPA-PBHICJAKSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)no1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107567 951919036 /nfs/dbraw/zinc/91/90/36/951919036.db2.gz FYWVPCKGLSEBLS-JTQLQIEISA-N 1 0 375.820 1.664 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575107646 951920447 /nfs/dbraw/zinc/92/04/47/951920447.db2.gz HAYPVJHVYKEVRI-GFCCVEGCSA-N 1 0 388.863 1.353 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575109680 951932547 /nfs/dbraw/zinc/93/25/47/951932547.db2.gz UEDWFJDUHXITBT-KUHUBIRLSA-N 1 0 392.463 1.807 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1ocnc1C1CC1 ZINC001575113973 951950894 /nfs/dbraw/zinc/95/08/94/951950894.db2.gz JNFIKHUFUWRVRB-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115576 951966073 /nfs/dbraw/zinc/96/60/73/951966073.db2.gz YJZJMJPVWIEHNM-CQSZACIVSA-N 1 0 392.463 1.957 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001575119279 951987044 /nfs/dbraw/zinc/98/70/44/951987044.db2.gz WLKWCPIHHCHYFL-LLVKDONJSA-N 1 0 386.460 1.636 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575144781 952172201 /nfs/dbraw/zinc/17/22/01/952172201.db2.gz LJCSVIFFTHNEFQ-CYBMUJFWSA-N 1 0 378.440 1.069 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575145021 952176684 /nfs/dbraw/zinc/17/66/84/952176684.db2.gz OFGKUBFAFVNETD-KRWDZBQOSA-N 1 0 384.469 1.080 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCCC1CCOCC1 ZINC001575147768 952201083 /nfs/dbraw/zinc/20/10/83/952201083.db2.gz VZUDRIHLWZNAHW-AWEZNQCLSA-N 1 0 387.488 1.539 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575147911 952202078 /nfs/dbraw/zinc/20/20/78/952202078.db2.gz WXIQFQJAPIRIGK-LBPRGKRZSA-N 1 0 379.424 1.286 20 0 GDADRO C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575155108 952234493 /nfs/dbraw/zinc/23/44/93/952234493.db2.gz WIVWBTRAECGDEI-ZDUSSCGKSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001575163975 952285239 /nfs/dbraw/zinc/28/52/39/952285239.db2.gz ANOWZNTZBPRXEC-NSHDSACASA-N 1 0 392.895 1.658 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575166255 952321556 /nfs/dbraw/zinc/32/15/56/952321556.db2.gz UECNXNXGTUSUCC-NSHDSACASA-N 1 0 392.895 1.516 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575166272 952324527 /nfs/dbraw/zinc/32/45/27/952324527.db2.gz UKFIGCGOXIXQLE-NEPJUHHUSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@@H](CNc1ncccc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575169758 952349905 /nfs/dbraw/zinc/34/99/05/952349905.db2.gz SNPXZUITUTWGBC-AWEZNQCLSA-N 1 0 386.504 1.785 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[nH]n1 ZINC001575174128 952364931 /nfs/dbraw/zinc/36/49/31/952364931.db2.gz HPVTXFIZIJKKEB-UONOGXRCSA-N 1 0 387.492 1.178 20 0 GDADRO CC[C@H](F)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001571117161 952479595 /nfs/dbraw/zinc/47/95/95/952479595.db2.gz HMNIADAMGYRGKR-KBXCAEBGSA-N 1 0 375.452 1.871 20 0 GDADRO CC[C@H](F)C(=O)N1C[C@@H](C)[C@H](CCNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571118693 952489684 /nfs/dbraw/zinc/48/96/84/952489684.db2.gz YSMDDJZMUUMNLR-KYOSRNDESA-N 1 0 375.452 1.637 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1n[nH]cc1F ZINC001571120656 952506792 /nfs/dbraw/zinc/50/67/92/952506792.db2.gz OWXSTORCZCCGAZ-KCJUWKMLSA-N 1 0 376.421 1.183 20 0 GDADRO O=C(NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1cscn1 ZINC001571120828 952510289 /nfs/dbraw/zinc/51/02/89/952510289.db2.gz RLWXGNNDTBUOOL-SNVBAGLBSA-N 1 0 375.483 1.637 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC(F)(F)C1 ZINC001571120930 952511496 /nfs/dbraw/zinc/51/14/96/952511496.db2.gz UKNVLHJHFIVRHH-NNUKFRKNSA-N 1 0 376.411 1.896 20 0 GDADRO O=C(C[C@H]1CCOC1)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121964 952523493 /nfs/dbraw/zinc/52/34/93/952523493.db2.gz GLVADZYPMRSNOV-OLZOCXBDSA-N 1 0 376.486 1.435 20 0 GDADRO Cc1nsc(NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)c1-c1nn[nH]n1 ZINC001571122829 952526071 /nfs/dbraw/zinc/52/60/71/952526071.db2.gz MDTQAJBSGHDKDF-VXGBXAGGSA-N 1 0 376.490 1.129 20 0 GDADRO O=C(C[C@@H]1CCCOC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571123118 952528786 /nfs/dbraw/zinc/52/87/86/952528786.db2.gz PMJLHIZPCRALCS-RWMBFGLXSA-N 1 0 376.486 1.482 20 0 GDADRO CO[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)C ZINC001571124003 952533687 /nfs/dbraw/zinc/53/36/87/952533687.db2.gz XASYVTJKMULTRX-ZBFHGGJFSA-N 1 0 376.436 1.367 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575207843 952534959 /nfs/dbraw/zinc/53/49/59/952534959.db2.gz TXEYVGWKXVHAFA-NWDGAFQWSA-N 1 0 388.501 1.135 20 0 GDADRO CC(F)(F)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575210727 952540990 /nfs/dbraw/zinc/54/09/90/952540990.db2.gz HIDNCRHJEYDGKE-NSHDSACASA-N 1 0 382.390 1.989 20 0 GDADRO CC(F)(F)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCCO1 ZINC001575211613 952548773 /nfs/dbraw/zinc/54/87/73/952548773.db2.gz WGYHVCJPUTXXFJ-CQSZACIVSA-N 1 0 380.399 1.229 20 0 GDADRO Cc1ccncc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571127162 952551424 /nfs/dbraw/zinc/55/14/24/952551424.db2.gz ALIVJSNJCUHSJM-RDTXWAMCSA-N 1 0 377.452 1.820 20 0 GDADRO CC(F)(F)C(=O)N[C@H]1CC12CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001575212914 952555918 /nfs/dbraw/zinc/55/59/18/952555918.db2.gz NTPWISIIYWFUNH-AWEZNQCLSA-N 1 0 376.411 1.993 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001575214139 952562235 /nfs/dbraw/zinc/56/22/35/952562235.db2.gz JAOMUQDBCMDIET-PJXYFTJBSA-N 1 0 377.399 1.494 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC001571128420 952567410 /nfs/dbraw/zinc/56/74/10/952567410.db2.gz SZJXODOBXTVJDJ-GUYCJALGSA-N 1 0 377.452 1.934 20 0 GDADRO O=C(c1cc2c([nH]1)CCC2)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571128695 952570083 /nfs/dbraw/zinc/57/00/83/952570083.db2.gz WPKFUUNCQTUVIW-INIZCTEOSA-N 1 0 377.452 1.688 20 0 GDADRO Cc1cnc(C(=O)N2C[C@@H](C)[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571135141 952600852 /nfs/dbraw/zinc/60/08/52/952600852.db2.gz SEVTUWMOHLQOSP-CJNGLKHVSA-N 1 0 378.440 1.268 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(C(=O)c2cccnn2)C1 ZINC001571135516 952605024 /nfs/dbraw/zinc/60/50/24/952605024.db2.gz WCUCUTVXRZRZII-INIZCTEOSA-N 1 0 378.440 1.393 20 0 GDADRO Cc1nc[nH]c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001571135557 952606029 /nfs/dbraw/zinc/60/60/29/952606029.db2.gz WRSVAXWRJCPCEN-IYBDPMFKSA-N 1 0 378.440 1.102 20 0 GDADRO O=C(c1ccccc1O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135766 952608093 /nfs/dbraw/zinc/60/80/93/952608093.db2.gz CSLDIRAEHYZXTJ-MRXNPFEDSA-N 1 0 378.436 1.967 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC001571136800 952616018 /nfs/dbraw/zinc/61/60/18/952616018.db2.gz WHHIEWINKKOQFJ-MRXNPFEDSA-N 1 0 378.436 1.880 20 0 GDADRO COc1cccnc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571140743 952628336 /nfs/dbraw/zinc/62/83/36/952628336.db2.gz FLCWDYYQYRRJIG-OAHLLOKOSA-N 1 0 379.424 1.275 20 0 GDADRO O=C(N[C@]12CCC[C@H]1C[N@H+](Cc1cccnc1)C2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571142517 952643137 /nfs/dbraw/zinc/64/31/37/952643137.db2.gz SXQPCMHPPJRHOY-LIRRHRJNSA-N 1 0 378.440 1.374 20 0 GDADRO O=C([C@H]1CC1(F)F)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571152192 952681215 /nfs/dbraw/zinc/68/12/15/952681215.db2.gz CZLIDUYODVYDNE-QWHCGFSZSA-N 1 0 380.374 1.742 20 0 GDADRO Cc1cc(N2CCC3(C[C@H]3NC(=O)c3ccon3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571159528 952719469 /nfs/dbraw/zinc/71/94/69/952719469.db2.gz XHQAEFVJZAZRLC-OAHLLOKOSA-N 1 0 380.412 1.347 20 0 GDADRO O=C(c1cocn1)N1CCC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC[C@H]21 ZINC001571162474 952744298 /nfs/dbraw/zinc/74/42/98/952744298.db2.gz VDWMZBRQFMITPE-IUODEOHRSA-N 1 0 380.412 1.381 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001571165258 952749681 /nfs/dbraw/zinc/74/96/81/952749681.db2.gz ABTMVNAWTHUCEU-OAHLLOKOSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)c2cnn(C)c2)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571165927 952756221 /nfs/dbraw/zinc/75/62/21/952756221.db2.gz JAUJIVKQTLNLRE-CXAGYDPISA-N 1 0 380.456 1.383 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571166334 952760332 /nfs/dbraw/zinc/76/03/32/952760332.db2.gz LQBGKNXKEGOCFV-HNNXBMFYSA-N 1 0 380.456 1.648 20 0 GDADRO CCc1nc[nH]c1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571166542 952763317 /nfs/dbraw/zinc/76/33/17/952763317.db2.gz MSBQFOBOEHLQTQ-HNNXBMFYSA-N 1 0 380.456 1.547 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571167115 952770378 /nfs/dbraw/zinc/77/03/78/952770378.db2.gz VYCQIBVKBUPQKY-HNNXBMFYSA-N 1 0 380.456 1.718 20 0 GDADRO Cc1ccnn1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C ZINC001571169365 952772889 /nfs/dbraw/zinc/77/28/89/952772889.db2.gz ATBCAXRGQKYTKZ-YOEHRIQHSA-N 1 0 380.456 1.151 20 0 GDADRO CCn1ccnc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169611 952775864 /nfs/dbraw/zinc/77/58/64/952775864.db2.gz HYCNYZQFIRYEFQ-KOMQPUFPSA-N 1 0 380.456 1.381 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC001571169564 952776380 /nfs/dbraw/zinc/77/63/80/952776380.db2.gz GVBROOMNMGQXAV-HNNXBMFYSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1c(C(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)ccn1C ZINC001571169667 952776950 /nfs/dbraw/zinc/77/69/50/952776950.db2.gz KAFVNEWPSLIFQG-CQSZACIVSA-N 1 0 380.456 1.356 20 0 GDADRO Cc1cc[nH]c1C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001571169670 952777563 /nfs/dbraw/zinc/77/75/63/952777563.db2.gz KFQQMEBVVXGWQA-OAHLLOKOSA-N 1 0 380.456 1.851 20 0 GDADRO Cc1ccncc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571169835 952779474 /nfs/dbraw/zinc/77/94/74/952779474.db2.gz OWQKUBXAVUUEFB-CJNGLKHVSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571169837 952779589 /nfs/dbraw/zinc/77/95/89/952779589.db2.gz OWQKUBXAVUUEFB-XJKSGUPXSA-N 1 0 380.456 1.681 20 0 GDADRO CCn1cnc(C(=O)N2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC001571170533 952787105 /nfs/dbraw/zinc/78/71/05/952787105.db2.gz VZNDALBEGUPQHY-UHFFFAOYSA-N 1 0 380.456 1.431 20 0 GDADRO Cc1c[nH]c(C(=O)N2C[C@H](C)[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571170615 952787484 /nfs/dbraw/zinc/78/74/84/952787484.db2.gz XGUCFKOMDNNNDK-BLLLJJGKSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1cc(C)n(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571170842 952789650 /nfs/dbraw/zinc/78/96/50/952789650.db2.gz XNDYONCPGQFVQM-KRWDZBQOSA-N 1 0 380.456 1.071 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571170858 952789678 /nfs/dbraw/zinc/78/96/78/952789678.db2.gz XUOBEIWMDKPHAR-LSDHHAIUSA-N 1 0 380.456 1.729 20 0 GDADRO Cn1cnc(C(=O)N[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2(C)C)c1 ZINC001571172273 952804598 /nfs/dbraw/zinc/80/45/98/952804598.db2.gz RPNOKHMLIKAEEE-INIZCTEOSA-N 1 0 380.456 1.241 20 0 GDADRO O=C(Cc1cc[nH]n1)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172306 952805287 /nfs/dbraw/zinc/80/52/87/952805287.db2.gz SKKXGPPTEYUXGS-CABCVRRESA-N 1 0 380.456 1.350 20 0 GDADRO Cc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C ZINC001571172331 952806053 /nfs/dbraw/zinc/80/60/53/952806053.db2.gz SSFVHJFWDGEVDY-MLGOLLRUSA-N 1 0 380.456 1.396 20 0 GDADRO O=C(Cn1cccn1)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172525 952807035 /nfs/dbraw/zinc/80/70/35/952807035.db2.gz WGCZRWBFDNCTDP-MRXNPFEDSA-N 1 0 380.456 1.092 20 0 GDADRO Cc1cccc([C@H](C)[N@H+]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)c1 ZINC001571179548 952853167 /nfs/dbraw/zinc/85/31/67/952853167.db2.gz FPDPKTWLMOYYBJ-VUCTXSBTSA-N 1 0 381.440 1.039 20 0 GDADRO Cc1ocnc1C(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571179924 952856689 /nfs/dbraw/zinc/85/66/89/952856689.db2.gz KHBJPNPDFRIPDG-WFASDCNBSA-N 1 0 381.440 1.804 20 0 GDADRO Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571180952 952861763 /nfs/dbraw/zinc/86/17/63/952861763.db2.gz RQDKEWGJDOPPBO-ZIAGYGMSSA-N 1 0 381.440 1.667 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)on1 ZINC001571181887 952865319 /nfs/dbraw/zinc/86/53/19/952865319.db2.gz ZGYLQOHGKBZWSX-GOEBONIOSA-N 1 0 381.440 1.851 20 0 GDADRO CCc1noc(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571182686 952866950 /nfs/dbraw/zinc/86/69/50/952866950.db2.gz BOWSZKSMYSILIK-GASCZTMLSA-N 1 0 381.440 1.776 20 0 GDADRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571182789 952868552 /nfs/dbraw/zinc/86/85/52/952868552.db2.gz FTGKSEFZMOEGCH-GOEBONIOSA-N 1 0 381.440 1.699 20 0 GDADRO CO[C@@H](C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)c1ccccc1 ZINC001571182728 952868965 /nfs/dbraw/zinc/86/89/65/952868965.db2.gz CUXJQXKQCQFGLF-PBHICJAKSA-N 1 0 381.440 1.387 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]ccc2C)C1 ZINC001571183095 952872818 /nfs/dbraw/zinc/87/28/18/952872818.db2.gz OGKOTEZPCKZGIA-GASCZTMLSA-N 1 0 381.440 1.562 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571183166 952874213 /nfs/dbraw/zinc/87/42/13/952874213.db2.gz QUGNFBQRDWOZRL-GUYCJALGSA-N 1 0 381.440 1.885 20 0 GDADRO O=C(Cc1ncccc1F)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571183176 952874278 /nfs/dbraw/zinc/87/42/78/952874278.db2.gz RNENSEAJIDQDCI-AWEZNQCLSA-N 1 0 381.415 1.334 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc[nH]c3)[C@H]2C)cc1-c1nn[nH]n1 ZINC001571183172 952874530 /nfs/dbraw/zinc/87/45/30/952874530.db2.gz RGUVOGJNIHVSJG-WBMJQRKESA-N 1 0 381.440 1.596 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571183213 952875004 /nfs/dbraw/zinc/87/50/04/952875004.db2.gz SQXQENDRBMXHQF-WBMJQRKESA-N 1 0 381.440 1.080 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1(C)C)c1cnccn1 ZINC001571184317 952890061 /nfs/dbraw/zinc/89/00/61/952890061.db2.gz WCLUIUNQNBVPRH-IAQYHMDHSA-N 1 0 381.444 1.186 20 0 GDADRO Cc1cc(N2C[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C(C)C)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189986 952938824 /nfs/dbraw/zinc/93/88/24/952938824.db2.gz BRKLRGCXYHFYCJ-QXSJWSMHSA-N 1 0 381.484 1.757 20 0 GDADRO O=C(c1nccs1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001571190316 952941086 /nfs/dbraw/zinc/94/10/86/952941086.db2.gz HSFFKOGCEVYYIK-GASCZTMLSA-N 1 0 381.465 1.527 20 0 GDADRO CCc1nc(C(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@@H]2C)co1 ZINC001571199634 953003242 /nfs/dbraw/zinc/00/32/42/953003242.db2.gz XBZYULMMIXJWHB-NWDGAFQWSA-N 1 0 382.428 1.258 20 0 GDADRO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC001571200394 953008856 /nfs/dbraw/zinc/00/88/56/953008856.db2.gz IGUSPBLTJMTNNE-HNNXBMFYSA-N 1 0 382.424 1.863 20 0 GDADRO O=C(c1cncnc1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571200714 953011016 /nfs/dbraw/zinc/01/10/16/953011016.db2.gz KFLNAOIPHGZRQH-OAHLLOKOSA-N 1 0 382.403 1.190 20 0 GDADRO O=C(c1ncccn1)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571200719 953011112 /nfs/dbraw/zinc/01/11/12/953011112.db2.gz KMGOWKXLUYADSD-AWEZNQCLSA-N 1 0 382.403 1.190 20 0 GDADRO CCCc1cc(C(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C)no1 ZINC001571200832 953013367 /nfs/dbraw/zinc/01/33/67/953013367.db2.gz MGHCYTFTHWJVGC-VXGBXAGGSA-N 1 0 382.428 1.339 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@@H](CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571202107 953022789 /nfs/dbraw/zinc/02/27/89/953022789.db2.gz QZDWQPFEGOMADI-ZDUSSCGKSA-N 1 0 382.428 1.171 20 0 GDADRO Cc1cc(NC[C@H]2CCN(C(=O)c3ccon3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571202598 953026678 /nfs/dbraw/zinc/02/66/78/953026678.db2.gz VNZYJWNCOIEYBX-WCQYABFASA-N 1 0 382.428 1.190 20 0 GDADRO Cc1nonc1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571205687 953041792 /nfs/dbraw/zinc/04/17/92/953041792.db2.gz KVUDCVVNKCFZEG-AWEZNQCLSA-N 1 0 382.428 1.152 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@H]2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571206513 953051894 /nfs/dbraw/zinc/05/18/94/953051894.db2.gz QIMXBURERGAPSB-STQMWFEESA-N 1 0 382.428 1.299 20 0 GDADRO O=C([C@H]1CCOC1)N1CC2(C1)CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571210340 953071160 /nfs/dbraw/zinc/07/11/60/953071160.db2.gz PGLUEHISVUSZFH-KRWDZBQOSA-N 1 0 382.468 1.328 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1C[C@]12CCOC2 ZINC001571213220 953093052 /nfs/dbraw/zinc/09/30/52/953093052.db2.gz PUFQQNCAQBWVRZ-FORWCCJISA-N 1 0 382.468 1.278 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1C[C@]12CCOC2 ZINC001571213218 953093398 /nfs/dbraw/zinc/09/33/98/953093398.db2.gz PUFQQNCAQBWVRZ-ASKNOMKYSA-N 1 0 382.468 1.278 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ncccc1O ZINC001571216699 953103277 /nfs/dbraw/zinc/10/32/77/953103277.db2.gz BZMRGSITAVJZPM-JOCQHMNTSA-N 1 0 383.387 1.157 20 0 GDADRO Cn1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)c1 ZINC001571229404 953168959 /nfs/dbraw/zinc/16/89/59/953168959.db2.gz DLWJFWXMBIXXLL-INIZCTEOSA-N 1 0 383.431 1.739 20 0 GDADRO Cc1ccc(F)c(C[NH2+][C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)c1 ZINC001571230054 953173578 /nfs/dbraw/zinc/17/35/78/953173578.db2.gz RNIXORYYAHTMRQ-SJKOYZFVSA-N 1 0 383.431 1.893 20 0 GDADRO Cc1ccn(C)c1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571230182 953174495 /nfs/dbraw/zinc/17/44/95/953174495.db2.gz TVVZPJIKTZYOPT-AWEZNQCLSA-N 1 0 383.431 1.657 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001571230372 953176902 /nfs/dbraw/zinc/17/69/02/953176902.db2.gz WOWLRDUUXCSXBA-JSGCOSHPSA-N 1 0 383.431 1.832 20 0 GDADRO O=C(NC1(C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1)[C@@H]1CCOC1 ZINC001571232708 953188549 /nfs/dbraw/zinc/18/85/49/953188549.db2.gz JMHOUVHPWHPJBC-CYBMUJFWSA-N 1 0 383.456 1.163 20 0 GDADRO O=C([C@H]1CCCO1)N1CCC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571233481 953193037 /nfs/dbraw/zinc/19/30/37/953193037.db2.gz VXLJYPPVCZJENE-VQIMIIECSA-N 1 0 383.456 1.260 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)nc1C ZINC001571233986 953197494 /nfs/dbraw/zinc/19/74/94/953197494.db2.gz JSZOSTINFGFJSK-CYBMUJFWSA-N 1 0 383.481 1.944 20 0 GDADRO O=C(NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)c1cncc(Cl)c1 ZINC001571234711 953204254 /nfs/dbraw/zinc/20/42/54/953204254.db2.gz GKPULYJREIYHGO-UHFFFAOYSA-N 1 0 383.843 1.777 20 0 GDADRO CC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN(C(=O)c2cc[nH]n2)CC1 ZINC001571238833 953233209 /nfs/dbraw/zinc/23/32/09/953233209.db2.gz AVEGPRRYKGRSTD-UHFFFAOYSA-N 1 0 384.419 1.513 20 0 GDADRO O=C(CCc1ccoc1)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571238935 953233645 /nfs/dbraw/zinc/23/36/45/953233645.db2.gz CPJFWWOLJTUPCP-OAHLLOKOSA-N 1 0 384.415 1.922 20 0 GDADRO O=C(Cc1ccco1)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571238925 953233897 /nfs/dbraw/zinc/23/38/97/953233897.db2.gz CFQHVHXTCFUCKY-UHFFFAOYSA-N 1 0 384.415 1.922 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571238916 953234306 /nfs/dbraw/zinc/23/43/06/953234306.db2.gz CCCYZLAQPZMZEG-NHYWBVRUSA-N 1 0 384.419 1.512 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571239434 953239738 /nfs/dbraw/zinc/23/97/38/953239738.db2.gz LPFICQAMMDJJNJ-RISCZKNCSA-N 1 0 384.419 1.227 20 0 GDADRO Cc1c[nH]nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571239932 953244385 /nfs/dbraw/zinc/24/43/85/953244385.db2.gz VBNLPFNWDVNHMU-IAQYHMDHSA-N 1 0 384.419 1.288 20 0 GDADRO CCn1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)c1 ZINC001571239919 953245024 /nfs/dbraw/zinc/24/50/24/953245024.db2.gz URRADOXOKLBOIH-CYBMUJFWSA-N 1 0 384.419 1.227 20 0 GDADRO O=C(Cc1ccoc1)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571240008 953245399 /nfs/dbraw/zinc/24/53/99/953245399.db2.gz XEWFILWYCDVOAU-MRXNPFEDSA-N 1 0 384.415 1.922 20 0 GDADRO Cn1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571241645 953248158 /nfs/dbraw/zinc/24/81/58/953248158.db2.gz HDZYFHJLYWCUPK-AWEZNQCLSA-N 1 0 384.419 1.134 20 0 GDADRO Cn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)cn1 ZINC001571241820 953250445 /nfs/dbraw/zinc/25/04/45/953250445.db2.gz MHSIIPWJKRASIS-AWEZNQCLSA-N 1 0 384.419 1.134 20 0 GDADRO Cn1ccc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001571241841 953250494 /nfs/dbraw/zinc/25/04/94/953250494.db2.gz MWBSVDNYAOZDJP-CQSZACIVSA-N 1 0 384.419 1.134 20 0 GDADRO Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)cn1 ZINC001571241981 953252391 /nfs/dbraw/zinc/25/23/91/953252391.db2.gz RRBXTHAWJJISNE-CQSZACIVSA-N 1 0 384.419 1.134 20 0 GDADRO Cc1ccc(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)o1 ZINC001571244997 953268990 /nfs/dbraw/zinc/26/89/90/953268990.db2.gz CCILFWKLIFXMHF-HALDLXJZSA-N 1 0 384.465 1.619 20 0 GDADRO Cc1ncsc1C(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571245325 953272102 /nfs/dbraw/zinc/27/21/02/953272102.db2.gz RQRQDDPAVXWZFY-LBPRGKRZSA-N 1 0 384.469 1.474 20 0 GDADRO CCc1ncc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571245640 953274982 /nfs/dbraw/zinc/27/49/82/953274982.db2.gz XWXJBSZGHGIWHB-NSHDSACASA-N 1 0 384.469 1.338 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)[C@H]2C)s1 ZINC001571245676 953276180 /nfs/dbraw/zinc/27/61/80/953276180.db2.gz YFFLPLBUHVFALB-MFKMUULPSA-N 1 0 384.469 1.472 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](C)C2)oc1C ZINC001571247545 953283292 /nfs/dbraw/zinc/28/32/92/953283292.db2.gz ALUUYSYCMBMJAI-IINYFYTJSA-N 1 0 384.444 1.583 20 0 GDADRO O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cncs1)C2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571247806 953286673 /nfs/dbraw/zinc/28/66/73/953286673.db2.gz FKZHUVRXXVCQBR-UHTWSYAYSA-N 1 0 384.469 1.434 20 0 GDADRO C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001571248312 953291370 /nfs/dbraw/zinc/29/13/70/953291370.db2.gz QEHWGFIQYYLTIE-RHSMWYFYSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@]1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOC1 ZINC001571248451 953293180 /nfs/dbraw/zinc/29/31/80/953293180.db2.gz UHMHFZCDYLELHU-ZWOKBUDYSA-N 1 0 384.484 1.810 20 0 GDADRO O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnsn1 ZINC001571248691 953295836 /nfs/dbraw/zinc/29/58/36/953295836.db2.gz XSITYPWRRCUZPX-KBPBESRZSA-N 1 0 384.469 1.549 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)C1 ZINC001571249122 953301232 /nfs/dbraw/zinc/30/12/32/953301232.db2.gz DKMFAUHSQNLDEQ-INIZCTEOSA-N 1 0 384.488 1.031 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCCCO1 ZINC001571249952 953307599 /nfs/dbraw/zinc/30/75/99/953307599.db2.gz MUIFVCKSNYSQSV-QAPCUYQASA-N 1 0 384.484 1.764 20 0 GDADRO O=C(CC[C@@H]1CCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571250214 953308803 /nfs/dbraw/zinc/30/88/03/953308803.db2.gz OLCBSZRSDIWJPA-NVXWUHKLSA-N 1 0 384.484 1.764 20 0 GDADRO O=C([C@@H]1CCCCO1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571250220 953309401 /nfs/dbraw/zinc/30/94/01/953309401.db2.gz OMHGHLHHHMGZJE-WMZOPIPTSA-N 1 0 384.484 1.907 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)C2CC2)C1 ZINC001571251041 953314263 /nfs/dbraw/zinc/31/42/63/953314263.db2.gz VGTULBNWXNMKSK-ZIAGYGMSSA-N 1 0 384.484 1.860 20 0 GDADRO Cc1cnc(C[NH2+]C[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C)o1 ZINC001571251189 953315900 /nfs/dbraw/zinc/31/59/00/953315900.db2.gz RTSLAUAESXXVTE-WCQYABFASA-N 1 0 384.444 1.379 20 0 GDADRO Cc1ncc(C[N@H+](C)CC2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)o1 ZINC001571252181 953324866 /nfs/dbraw/zinc/32/48/66/953324866.db2.gz XWKSZRKPBHBIQA-UHFFFAOYSA-N 1 0 384.444 1.475 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571252258 953325911 /nfs/dbraw/zinc/32/59/11/953325911.db2.gz JASBUEIZRSJRLF-HOTGVXAUSA-N 1 0 384.488 1.539 20 0 GDADRO CN(C(=O)C[NH+]1CCCC1)C1CCC(Nc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571252312 953326125 /nfs/dbraw/zinc/32/61/25/953326125.db2.gz KQSKXCSZFPRGBN-UHFFFAOYSA-N 1 0 384.488 1.539 20 0 GDADRO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571252355 953327011 /nfs/dbraw/zinc/32/70/11/953327011.db2.gz LNJOWVJBJWXMRU-CABCVRRESA-N 1 0 384.488 1.539 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CCNc3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571252489 953328585 /nfs/dbraw/zinc/32/85/85/953328585.db2.gz NUOJCSJPWMBZRO-GJZGRUSLSA-N 1 0 384.488 1.254 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC001571252453 953329017 /nfs/dbraw/zinc/32/90/17/953329017.db2.gz MZWCYILRGXZPMJ-KKUMJFAQSA-N 1 0 384.488 1.313 20 0 GDADRO CN(c1ccncc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001571252690 953332019 /nfs/dbraw/zinc/33/20/19/953332019.db2.gz UCSXUHJPNJJWAD-HUUCEWRRSA-N 1 0 384.488 1.173 20 0 GDADRO Cc1ocnc1C(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571254489 953338892 /nfs/dbraw/zinc/33/88/92/953338892.db2.gz GYXXOFZCAPTPTI-UHFFFAOYSA-N 1 0 385.403 1.695 20 0 GDADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2Cl)C1 ZINC001571254727 953341840 /nfs/dbraw/zinc/34/18/40/953341840.db2.gz GUJRORRJZRVDNE-LLVKDONJSA-N 1 0 384.893 1.530 20 0 GDADRO Cc1cnoc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571255176 953345775 /nfs/dbraw/zinc/34/57/75/953345775.db2.gz MCGSHDQZYMSEGB-ABAIWWIYSA-N 1 0 385.403 1.553 20 0 GDADRO CC(C)C[NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1C(F)(F)F ZINC001571255396 953348467 /nfs/dbraw/zinc/34/84/67/953348467.db2.gz OKDOOHCXPAFRSP-WCQYABFASA-N 1 0 385.394 1.833 20 0 GDADRO Cc1nocc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571255412 953348817 /nfs/dbraw/zinc/34/88/17/953348817.db2.gz OSJRNMNMNAVXCB-QLJPJBMISA-N 1 0 385.403 1.553 20 0 GDADRO CC[NH+]1CCN(c2cccc(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)c2)CC1 ZINC000864601426 956002409 /nfs/dbraw/zinc/00/24/09/956002409.db2.gz TWVRLWSUMRZCOP-UHFFFAOYSA-N 1 0 389.500 1.499 20 0 GDADRO CCN1CCC([NH+]2CCC(C(=O)N3CC[NH+]([C@H](C)CC(=O)[O-])CC3)CC2)CC1 ZINC001354059477 962707374 /nfs/dbraw/zinc/70/73/74/962707374.db2.gz SKGBSJZDFDEILV-QGZVFWFLSA-N 1 0 394.560 1.190 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)cc2)CC1 ZINC000829780480 979007465 /nfs/dbraw/zinc/00/74/65/979007465.db2.gz IDLLIEFEKCZHRN-SFHVURJKSA-N 1 0 376.501 1.856 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001595633881 981878387 /nfs/dbraw/zinc/87/83/87/981878387.db2.gz YREPJKGCZFKGOB-INIZCTEOSA-N 1 0 377.489 1.532 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001596418590 984044720 /nfs/dbraw/zinc/04/47/20/984044720.db2.gz QVEUVRSIJKYOCC-OAHLLOKOSA-N 1 0 383.514 1.421 20 0 GDADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]([NH3+])CCC(=O)[O-])CC1 ZINC001596442561 984138256 /nfs/dbraw/zinc/13/82/56/984138256.db2.gz XTDYNQNOYFTYNI-CZUORRHYSA-N 1 0 380.464 1.337 20 0 GDADRO C[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2C[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@@H]1O ZINC001594542328 986182799 /nfs/dbraw/zinc/18/27/99/986182799.db2.gz KHRPXFLGDKGVRF-QBTDHISASA-N 1 0 376.497 1.790 20 0 GDADRO CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001589623560 987515373 /nfs/dbraw/zinc/51/53/73/987515373.db2.gz LXYHTORASIETED-QGZVFWFLSA-N 1 0 380.533 1.974 20 0 GDADRO CN(C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)C1CC[NH2+]CC1 ZINC001598059759 990325958 /nfs/dbraw/zinc/32/59/58/990325958.db2.gz ASIZXKMYJAVLPV-UHFFFAOYSA-N 1 0 375.473 1.109 20 0 GDADRO C[N@@H+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C(=O)[O-])C1 ZINC001598606358 993666187 /nfs/dbraw/zinc/66/61/87/993666187.db2.gz BDXMNUOIUJVEAM-IBGZPJMESA-N 1 0 388.512 1.830 20 0 GDADRO COCc1ccccc1/C=C(\C)C[N@H+](CCN1CC[NH+](C)CC1)CC(=O)[O-] ZINC001599297203 997166470 /nfs/dbraw/zinc/16/64/70/997166470.db2.gz HDSBCMYWCJIRTJ-NBVRZTHBSA-N 1 0 375.513 1.870 20 0 GDADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC001603565358 1126227536 /nfs/dbraw/zinc/22/75/36/1126227536.db2.gz UGDAIULKNIMBEW-LJQANCHMSA-N 1 0 381.415 1.737 20 0 GDADRO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@](C)(CO)Cc1ccc(OC)c(OC)c1 ZINC001620625320 1126242674 /nfs/dbraw/zinc/24/26/74/1126242674.db2.gz QSYYCUZQHMXJBF-FQEVSTJZSA-N 1 0 391.468 1.995 20 0 GDADRO CCOC(=O)c1cnn2cc(C[NH2+][C@](C)(CO)Cc3ccc(OC)cc3)cnc12 ZINC001660653434 1126264948 /nfs/dbraw/zinc/26/49/48/1126264948.db2.gz RKZAKSHRPMIYLQ-NRFANRHFSA-N 1 0 398.463 1.998 20 0 GDADRO C[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000158583213 530534173 /nfs/dbraw/zinc/53/41/73/530534173.db2.gz PJYCQHKDFOOJSB-CYBMUJFWSA-N 1 0 382.302 1.785 20 0 GDADRO C[N@H+](CCn1cc(Br)cn1)CCN1C(=O)c2ccccc2C1=O ZINC000158909083 530536829 /nfs/dbraw/zinc/53/68/29/530536829.db2.gz FWVKGSWKJHBEBE-UHFFFAOYSA-N 1 0 377.242 1.874 20 0 GDADRO COc1ccc(Br)c(CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000158833195 530537081 /nfs/dbraw/zinc/53/70/81/530537081.db2.gz QUBFKFCYMGVXQB-CQSZACIVSA-N 1 0 398.345 2.000 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000159103902 530540091 /nfs/dbraw/zinc/54/00/91/530540091.db2.gz OMCQWROXWPBWAQ-ZDUSSCGKSA-N 1 0 388.559 1.508 20 0 GDADRO C[C@@H](CNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)[NH+]1CCC(C)CC1 ZINC000162430837 530568031 /nfs/dbraw/zinc/56/80/31/530568031.db2.gz CURTVJWTEUZMDC-NSHDSACASA-N 1 0 391.896 1.977 20 0 GDADRO CC[C@H](C(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1)[NH+](C)C ZINC000163461258 530575301 /nfs/dbraw/zinc/57/53/01/530575301.db2.gz QYFHBJQNLLLUSF-CQSZACIVSA-N 1 0 375.560 1.778 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cncc(I)c1 ZINC000163468252 530575726 /nfs/dbraw/zinc/57/57/26/530575726.db2.gz IHPZRTSYPXJQLR-ZDUSSCGKSA-N 1 0 389.237 1.527 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)Oc1ccccc1Br ZINC000163694294 530577203 /nfs/dbraw/zinc/57/72/03/530577203.db2.gz FDZXXOVKAQLZDZ-JQWIXIFHSA-N 1 0 393.303 1.095 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1cccs1 ZINC000170799336 530589666 /nfs/dbraw/zinc/58/96/66/530589666.db2.gz CXXIBLUGKZZNIL-WFASDCNBSA-N 1 0 380.495 1.197 20 0 GDADRO Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027607653 530589824 /nfs/dbraw/zinc/58/98/24/530589824.db2.gz YIPXCNAIXLVKSB-CQSZACIVSA-N 1 0 382.511 1.301 20 0 GDADRO CS(=O)(=O)NCCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000170944982 530591417 /nfs/dbraw/zinc/59/14/17/530591417.db2.gz RXTPGGJGXZDEGA-UHFFFAOYSA-N 1 0 387.933 1.608 20 0 GDADRO COCC[N@H+](C)CCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000171127891 530594921 /nfs/dbraw/zinc/59/49/21/530594921.db2.gz VJBMGTHDBMXHAL-HNNXBMFYSA-N 1 0 398.301 1.496 20 0 GDADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cnc2n(c1=O)CCS2 ZINC000029368720 530595029 /nfs/dbraw/zinc/59/50/29/530595029.db2.gz BRUJAALCSRGPJA-UHFFFAOYSA-N 1 0 380.539 1.440 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000037024910 530615267 /nfs/dbraw/zinc/61/52/67/530615267.db2.gz TYQDTVGETRXYOB-MFKMUULPSA-N 1 0 377.304 1.258 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000171508206 530599689 /nfs/dbraw/zinc/59/96/89/530599689.db2.gz GMVGYPILZKZDTI-GFCCVEGCSA-N 1 0 379.404 1.146 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000172126177 530608827 /nfs/dbraw/zinc/60/88/27/530608827.db2.gz VQLPKBLDHWRAHR-CYBMUJFWSA-N 1 0 390.575 1.822 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000170639489 530586572 /nfs/dbraw/zinc/58/65/72/530586572.db2.gz UMSQONZVCZDCKV-UHFFFAOYSA-N 1 0 379.404 1.190 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000170684596 530587501 /nfs/dbraw/zinc/58/75/01/530587501.db2.gz ZSDLEAPAFIBRAA-LBPRGKRZSA-N 1 0 391.946 1.767 20 0 GDADRO O=C(Nc1ccccc1Br)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173228581 530627263 /nfs/dbraw/zinc/62/72/63/530627263.db2.gz UCYMGZVXARHDPR-CYBMUJFWSA-N 1 0 396.285 1.568 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000042159463 530627390 /nfs/dbraw/zinc/62/73/90/530627390.db2.gz AVFPRUVAANZPHC-UHFFFAOYSA-N 1 0 387.571 1.922 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000173431620 530629614 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Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(C)(C)C[NH+](C)C)s1 ZINC000043590438 530635291 /nfs/dbraw/zinc/63/52/91/530635291.db2.gz UWZYYZAXPGZNCM-CQSZACIVSA-N 1 0 387.571 1.914 20 0 GDADRO COc1ccc(Br)cc1CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000173718868 530635265 /nfs/dbraw/zinc/63/52/65/530635265.db2.gz LNAZINPQWXTYEW-AWEZNQCLSA-N 1 0 398.345 2.000 20 0 GDADRO O=S(=O)(NC[C@H]1CCCC[NH2+]1)c1ccc(I)cc1 ZINC000044492902 530638842 /nfs/dbraw/zinc/63/88/42/530638842.db2.gz BMIHVYKQDHWMIE-LLVKDONJSA-N 1 0 380.251 1.712 20 0 GDADRO COc1ccc(CCC(=O)NCCN2CC[NH+](C)CC2)cc1Br ZINC000044610572 530639968 /nfs/dbraw/zinc/63/99/68/530639968.db2.gz ZYKPRLPEHRPNMZ-UHFFFAOYSA-N 1 0 384.318 1.754 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000173987775 530640879 /nfs/dbraw/zinc/64/08/79/530640879.db2.gz AQQAOXWWNAZDNW-CQSZACIVSA-N 1 0 385.917 1.657 20 0 GDADRO CCS(=O)(=O)NC1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000174354860 530646690 /nfs/dbraw/zinc/64/66/90/530646690.db2.gz UJFNKODEGDHPCJ-UHFFFAOYSA-N 1 0 376.567 1.609 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174546474 530650665 /nfs/dbraw/zinc/65/06/65/530650665.db2.gz DFPZLFCBHHJGEU-LBPRGKRZSA-N 1 0 393.289 1.835 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000174757190 530653645 /nfs/dbraw/zinc/65/36/45/530653645.db2.gz OWUGQOJYHVFHFQ-GFCCVEGCSA-N 1 0 386.290 1.962 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000174776707 530653712 /nfs/dbraw/zinc/65/37/12/530653712.db2.gz QWSRGLDYUZLSFV-UHFFFAOYSA-N 1 0 387.933 1.855 20 0 GDADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CNC(=O)c1ccc(Br)s1)C2 ZINC000174739438 530653821 /nfs/dbraw/zinc/65/38/21/530653821.db2.gz AJKIWMDZCOXCPC-WDEREUQCSA-N 1 0 386.315 1.936 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174840735 530655330 /nfs/dbraw/zinc/65/53/30/530655330.db2.gz RHGKFEALFSIZTE-UHFFFAOYSA-N 1 0 390.253 1.563 20 0 GDADRO O=S(=O)(N[C@@H]1CC[NH2+]C1)c1cc(Br)ccc1Br ZINC000052093323 530682928 /nfs/dbraw/zinc/68/29/28/530682928.db2.gz NMGPMHXWSZKMOQ-MRVPVSSYSA-N 1 0 384.093 1.852 20 0 GDADRO C[C@H](CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[NH+](C)C ZINC000047510932 530660196 /nfs/dbraw/zinc/66/01/96/530660196.db2.gz XVDCYTKVAMLMKE-CYBMUJFWSA-N 1 0 381.523 1.907 20 0 GDADRO COCCCS(=O)(=O)NCCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000175233668 530661091 /nfs/dbraw/zinc/66/10/91/530661091.db2.gz DBYXFPPONBALPF-QZTJIDSGSA-N 1 0 375.579 1.529 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000175241099 530661870 /nfs/dbraw/zinc/66/18/70/530661870.db2.gz JWUGYMBGAGZNEX-UHFFFAOYSA-N 1 0 390.253 1.611 20 0 GDADRO C[C@@H](CNC(=O)c1csc(S(N)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000047684808 530662057 /nfs/dbraw/zinc/66/20/57/530662057.db2.gz IMAAYHVRHQIAPK-LBPRGKRZSA-N 1 0 379.507 1.572 20 0 GDADRO CC(C)CC[NH+]1CCC(CNC(=O)NCCS(=O)(=O)NC(C)C)CC1 ZINC000175464572 530665813 /nfs/dbraw/zinc/66/58/13/530665813.db2.gz DOQFXHGEDMVAII-UHFFFAOYSA-N 1 0 376.567 1.372 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2I)CC1 ZINC000048497737 530668800 /nfs/dbraw/zinc/66/88/00/530668800.db2.gz CJYNYKYTYBZKPL-UHFFFAOYSA-N 1 0 387.221 1.440 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c(F)cc1F ZINC000175803509 530670545 /nfs/dbraw/zinc/67/05/45/530670545.db2.gz BUWYJYYGGQXACK-INIZCTEOSA-N 1 0 375.485 1.824 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)CCOc2cccc(Br)c2)CC1 ZINC000053305055 530691863 /nfs/dbraw/zinc/69/18/63/530691863.db2.gz BGZSEKYEVPHLTM-UHFFFAOYSA-N 1 0 384.318 1.924 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000176911706 530693877 /nfs/dbraw/zinc/69/38/77/530693877.db2.gz JSMZAOQRKLSAOV-UHFFFAOYSA-N 1 0 382.873 1.957 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000056876373 530720605 /nfs/dbraw/zinc/72/06/05/530720605.db2.gz KHMGBMUTASIWJU-UHFFFAOYSA-N 1 0 376.567 1.420 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1F ZINC000177488628 530704180 /nfs/dbraw/zinc/70/41/80/530704180.db2.gz ZDBBEFBYOSMGKI-UHFFFAOYSA-N 1 0 378.491 1.384 20 0 GDADRO O=C(NCC[NH+]1CCCC1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177727286 530709511 /nfs/dbraw/zinc/70/95/11/530709511.db2.gz IKPYJUFVVWXEBY-UHFFFAOYSA-N 1 0 384.249 1.689 20 0 GDADRO CCS(=O)(=O)NCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000177804822 530711026 /nfs/dbraw/zinc/71/10/26/530711026.db2.gz BTYLFWWLYPBCBP-UHFFFAOYSA-N 1 0 377.913 1.972 20 0 GDADRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000178136619 530716201 /nfs/dbraw/zinc/71/62/01/530716201.db2.gz URRCRZGGQKKNIF-CYBMUJFWSA-N 1 0 386.495 1.453 20 0 GDADRO COCC[NH+]1CCC(NC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000179471419 530741858 /nfs/dbraw/zinc/74/18/58/530741858.db2.gz AOKGOFYUFZMKFN-UHFFFAOYSA-N 1 0 382.262 1.332 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)NCCS(N)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179565106 530744253 /nfs/dbraw/zinc/74/42/53/530744253.db2.gz LEPGPBKZIPKZLZ-RISCZKNCSA-N 1 0 392.884 1.060 20 0 GDADRO CCCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000178897045 530730143 /nfs/dbraw/zinc/73/01/43/530730143.db2.gz JKEOGVXHYIVOIM-NSHDSACASA-N 1 0 379.935 1.623 20 0 GDADRO CCCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000178897039 530730258 /nfs/dbraw/zinc/73/02/58/530730258.db2.gz JKEOGVXHYIVOIM-LLVKDONJSA-N 1 0 379.935 1.623 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000178997179 530733578 /nfs/dbraw/zinc/73/35/78/530733578.db2.gz LEKTUQKSOXCLSP-LLVKDONJSA-N 1 0 386.265 1.776 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C1 ZINC000179000296 530733622 /nfs/dbraw/zinc/73/36/22/530733622.db2.gz VMXSHWRCRUUWAS-VIFPVBQESA-N 1 0 393.278 1.673 20 0 GDADRO O=C(C[NH2+]C1(CO)CCCC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000179067458 530735234 /nfs/dbraw/zinc/73/52/34/530735234.db2.gz FNXVFRWKILGVJW-CQSZACIVSA-N 1 0 386.539 1.159 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000179869404 530751931 /nfs/dbraw/zinc/75/19/31/530751931.db2.gz JDGMPWXSJAHUAR-LBPRGKRZSA-N 1 0 398.301 1.909 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CNC(=O)C1CC1 ZINC000065936147 530757015 /nfs/dbraw/zinc/75/70/15/530757015.db2.gz MEGANGUYCBZPLY-UHFFFAOYSA-N 1 0 382.302 1.866 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000179762042 530749238 /nfs/dbraw/zinc/74/92/38/530749238.db2.gz NZWIXVSQUBPUIU-GFCCVEGCSA-N 1 0 381.274 1.727 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000180768563 530771328 /nfs/dbraw/zinc/77/13/28/530771328.db2.gz WRTMKBGTYMRBEU-GWCFXTLKSA-N 1 0 379.404 1.872 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)NCc2sccc2C)cc1 ZINC000181047663 530776958 /nfs/dbraw/zinc/77/69/58/530776958.db2.gz XXYZJQLEBMBBMK-CYBMUJFWSA-N 1 0 381.523 1.932 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000181119686 530778677 /nfs/dbraw/zinc/77/86/77/530778677.db2.gz WAJCZFZOSFROQG-UHFFFAOYSA-N 1 0 382.452 1.985 20 0 GDADRO CC[NH+]1CCN(CCC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000181132370 530779176 /nfs/dbraw/zinc/77/91/76/530779176.db2.gz MNFSGCYBDNDVCU-MRXNPFEDSA-N 1 0 384.318 1.626 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000181177504 530779532 /nfs/dbraw/zinc/77/95/32/530779532.db2.gz NZBXRQIJBHUKHK-WCQYABFASA-N 1 0 381.278 1.553 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000181448444 530783830 /nfs/dbraw/zinc/78/38/30/530783830.db2.gz AUPXQUAUALWHRJ-NSHDSACASA-N 1 0 399.289 1.077 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000068342558 530786583 /nfs/dbraw/zinc/78/65/83/530786583.db2.gz KLXLTDPLQCNLPH-JTQLQIEISA-N 1 0 390.303 1.263 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000066620724 530764874 /nfs/dbraw/zinc/76/48/74/530764874.db2.gz XKYJAAUWWRQSTF-GFCCVEGCSA-N 1 0 380.286 1.779 20 0 GDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000071917773 530804827 /nfs/dbraw/zinc/80/48/27/530804827.db2.gz RGFCJJJQQJCBNS-VIFPVBQESA-N 1 0 378.654 1.080 20 0 GDADRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000181760556 530790365 /nfs/dbraw/zinc/79/03/65/530790365.db2.gz FODZDZGLBFLVLA-CQSZACIVSA-N 1 0 386.539 1.702 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103162586 530833312 /nfs/dbraw/zinc/83/33/12/530833312.db2.gz YJVNOJNLXAUYGO-UHFFFAOYSA-N 1 0 385.917 1.577 20 0 GDADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cnn(CC(F)(F)F)c1 ZINC000184972450 530834738 /nfs/dbraw/zinc/83/47/38/530834738.db2.gz ZXWSKJYVCCJNBO-CYBMUJFWSA-N 1 0 380.436 1.988 20 0 GDADRO CN1C(=O)NC2(CCN(CCOc3ccccc3Br)CC2)C1=O ZINC000091704859 530809469 /nfs/dbraw/zinc/80/94/69/530809469.db2.gz QESWSQKFFFGIPV-UHFFFAOYSA-N 1 0 382.258 1.844 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1Br ZINC000183138957 530810001 /nfs/dbraw/zinc/81/00/01/530810001.db2.gz CVEUAWKOXBFPMQ-SECBINFHSA-N 1 0 378.292 1.732 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183195714 530811298 /nfs/dbraw/zinc/81/12/98/530811298.db2.gz VYGPCUVJEVKEOB-JTQLQIEISA-N 1 0 382.258 1.852 20 0 GDADRO Cn1cc(Br)cc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)c1=O ZINC000183226692 530812153 /nfs/dbraw/zinc/81/21/53/530812153.db2.gz UELHRGWZORPVJC-UHFFFAOYSA-N 1 0 395.257 1.736 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000096999505 530819165 /nfs/dbraw/zinc/81/91/65/530819165.db2.gz XSAOZRFGEJZRRS-CQSZACIVSA-N 1 0 389.949 1.901 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000183921431 530822448 /nfs/dbraw/zinc/82/24/48/530822448.db2.gz DHZYLCJMBMEOOA-JTQLQIEISA-N 1 0 392.319 1.059 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000185097121 530836703 /nfs/dbraw/zinc/83/67/03/530836703.db2.gz SYIKXVRERSGXPV-UHFFFAOYSA-N 1 0 388.555 1.881 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)COc1cccc(Br)c1 ZINC000184306533 530826506 /nfs/dbraw/zinc/82/65/06/530826506.db2.gz BREGBRXULFSIAM-CQSZACIVSA-N 1 0 384.318 1.970 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000106895264 530850599 /nfs/dbraw/zinc/85/05/99/530850599.db2.gz UHFJBPJQTFRJMR-NSHDSACASA-N 1 0 383.411 1.759 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cccc(Cl)c3F)C2)CC1 ZINC000106893911 530850851 /nfs/dbraw/zinc/85/08/51/530850851.db2.gz COZRZWFZSSGOJC-ZDUSSCGKSA-N 1 0 375.897 1.880 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000106915748 530851787 /nfs/dbraw/zinc/85/17/87/530851787.db2.gz LAFVBWMJZCJGKL-UHFFFAOYSA-N 1 0 381.274 1.943 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000186184376 530852260 /nfs/dbraw/zinc/85/22/60/530852260.db2.gz DXJBNCOFGINUAP-OAHLLOKOSA-N 1 0 398.301 1.142 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000186310129 530855152 /nfs/dbraw/zinc/85/51/52/530855152.db2.gz DMLNJMSONIPMKE-CYBMUJFWSA-N 1 0 378.270 1.838 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000108342339 530856470 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CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000109515289 530863656 /nfs/dbraw/zinc/86/36/56/530863656.db2.gz RVMHDISUMMKCHX-MRXNPFEDSA-N 1 0 385.555 1.500 20 0 GDADRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000186874453 530864118 /nfs/dbraw/zinc/86/41/18/530864118.db2.gz YDFSMRYHIWLCTQ-CQSZACIVSA-N 1 0 376.544 1.802 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000186876678 530864374 /nfs/dbraw/zinc/86/43/74/530864374.db2.gz CALSGICJMZUVBL-SMDDNHRTSA-N 1 0 389.315 1.478 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)NCC[N@@H+]1CCCOCC1 ZINC000186925092 530864440 /nfs/dbraw/zinc/86/44/40/530864440.db2.gz JYTLOCVFDUWPPH-UHFFFAOYSA-N 1 0 376.288 1.822 20 0 GDADRO CN(CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000110519607 530868232 /nfs/dbraw/zinc/86/82/32/530868232.db2.gz ZDKRZRQIPJVWCM-GFCCVEGCSA-N 1 0 391.946 1.719 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)CC2([NH+](C)C)CCC2)s1 ZINC000187321639 530871614 /nfs/dbraw/zinc/87/16/14/530871614.db2.gz SUINEIGJGDJOFX-UHFFFAOYSA-N 1 0 388.559 1.461 20 0 GDADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000111340041 530873632 /nfs/dbraw/zinc/87/36/32/530873632.db2.gz PIDFALNYPDITHC-UHFFFAOYSA-N 1 0 378.491 1.192 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1cc(Cl)ccc1F ZINC000185348202 530841003 /nfs/dbraw/zinc/84/10/03/530841003.db2.gz GZMPZJMSYJGVPI-CYBMUJFWSA-N 1 0 377.913 1.925 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000185600067 530843859 /nfs/dbraw/zinc/84/38/59/530843859.db2.gz VZCCCPWNLRRYFT-UHFFFAOYSA-N 1 0 394.216 1.096 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000185599080 530844068 /nfs/dbraw/zinc/84/40/68/530844068.db2.gz DPYWYPAPODFEOF-UHFFFAOYSA-N 1 0 392.681 1.471 20 0 GDADRO C[C@@H](CNC(=O)CSc1nnnn1CC(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000106014428 530845486 /nfs/dbraw/zinc/84/54/86/530845486.db2.gz SQDBZHWVXXIWQE-QWRGUYRKSA-N 1 0 380.440 1.564 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)c2cc(I)c[nH]2)CC1 ZINC000115358114 530899047 /nfs/dbraw/zinc/89/90/47/530899047.db2.gz BKXCEEHJDWFJSL-UHFFFAOYSA-N 1 0 391.253 1.850 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000188737694 530900069 /nfs/dbraw/zinc/90/00/69/530900069.db2.gz MJTMVWQKLNZGIX-GFCCVEGCSA-N 1 0 399.333 1.827 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1Br ZINC000188762515 530901291 /nfs/dbraw/zinc/90/12/91/530901291.db2.gz FYMKVEPAOVOLCT-LLVKDONJSA-N 1 0 384.274 1.854 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cnc1Br ZINC000188910376 530904343 /nfs/dbraw/zinc/90/43/43/530904343.db2.gz GNSJQKYVGCRYDR-GFCCVEGCSA-N 1 0 383.290 1.891 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC1CC[NH+](C2CC2)CC1 ZINC000116462255 530905380 /nfs/dbraw/zinc/90/53/80/530905380.db2.gz ODLJZEHDSWLWGL-UHFFFAOYSA-N 1 0 377.919 1.423 20 0 GDADRO NC(=O)Cc1csc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)n1 ZINC000116536083 530905388 /nfs/dbraw/zinc/90/53/88/530905388.db2.gz WXNQCMQVTPSCOG-UHFFFAOYSA-N 1 0 376.507 1.972 20 0 GDADRO CCn1cc(Br)cc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000116692910 530906420 /nfs/dbraw/zinc/90/64/20/530906420.db2.gz XWNXRAGXLHHPBC-CQSZACIVSA-N 1 0 399.333 1.943 20 0 GDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000116900747 530909875 /nfs/dbraw/zinc/90/98/75/530909875.db2.gz KAQZXRWXXNDQLN-LLVKDONJSA-N 1 0 381.267 1.539 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCc2ccc(Br)cc21 ZINC000112472922 530882081 /nfs/dbraw/zinc/88/20/81/530882081.db2.gz AGQFLIASOZPWPI-GFCCVEGCSA-N 1 0 392.297 1.939 20 0 GDADRO CC(C)COC[C@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000112731957 530884731 /nfs/dbraw/zinc/88/47/31/530884731.db2.gz IIDWLMRQPOCWRD-CQSZACIVSA-N 1 0 390.468 1.308 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000188120741 530885684 /nfs/dbraw/zinc/88/56/84/530885684.db2.gz FEIOOJJJFIIHLF-CYBMUJFWSA-N 1 0 397.317 1.448 20 0 GDADRO CC[N@H+](C)CCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000112926687 530886288 /nfs/dbraw/zinc/88/62/88/530886288.db2.gz IEUNTJICZWLYHY-UHFFFAOYSA-N 1 0 382.258 1.503 20 0 GDADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)C1CCOCC1 ZINC000188251898 530890102 /nfs/dbraw/zinc/89/01/02/530890102.db2.gz PTHDEEKTAWAWPK-OAHLLOKOSA-N 1 0 376.544 1.674 20 0 GDADRO CC(=O)N1CC(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000188306061 530891069 /nfs/dbraw/zinc/89/10/69/530891069.db2.gz MZXYUKHIEICPBM-UHFFFAOYSA-N 1 0 382.302 1.818 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC[NH2+]1 ZINC000188407437 530893114 /nfs/dbraw/zinc/89/31/14/530893114.db2.gz HHUWRFAQEKGHOL-SNVBAGLBSA-N 1 0 390.303 1.133 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000188558779 530896160 /nfs/dbraw/zinc/89/61/60/530896160.db2.gz ZMYBHONNLHHNSA-ZDUSSCGKSA-N 1 0 398.301 1.484 20 0 GDADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)Nc1ccc(Br)cn1 ZINC000189420923 530913078 /nfs/dbraw/zinc/91/30/78/530913078.db2.gz VURJOSIVVMBOJW-GFCCVEGCSA-N 1 0 385.306 1.560 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccsc2Cl)CC1 ZINC000189519640 530914584 /nfs/dbraw/zinc/91/45/84/530914584.db2.gz CFPDODCRDDOEGI-UHFFFAOYSA-N 1 0 386.905 1.353 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000118115946 530916421 /nfs/dbraw/zinc/91/64/21/530916421.db2.gz MUAYENNSZIQVMM-UHFFFAOYSA-N 1 0 384.274 1.033 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000118123688 530917025 /nfs/dbraw/zinc/91/70/25/530917025.db2.gz DMSBUVYLSGJVFA-UHFFFAOYSA-N 1 0 389.237 1.686 20 0 GDADRO CC[C@]1(CO)CCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000189636852 530917792 /nfs/dbraw/zinc/91/77/92/530917792.db2.gz MUJRYBGLXMXINQ-QGZVFWFLSA-N 1 0 398.301 1.741 20 0 GDADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000189691242 530918676 /nfs/dbraw/zinc/91/86/76/530918676.db2.gz MBCTYSUJZHLVRF-UHFFFAOYSA-N 1 0 376.404 1.573 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000189711091 530919296 /nfs/dbraw/zinc/91/92/96/530919296.db2.gz BOWQWSHKXHOZGV-UHFFFAOYSA-N 1 0 399.314 1.616 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1)c1cccs1 ZINC000119148060 530922828 /nfs/dbraw/zinc/92/28/28/530922828.db2.gz KWXIVOAWHQIVCS-SXBQZSJRSA-N 1 0 379.507 1.843 20 0 GDADRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccc(Br)cn2)C1(C)C ZINC000189971120 530923374 /nfs/dbraw/zinc/92/33/74/530923374.db2.gz LIRAJODSLWPDHM-MLGOLLRUSA-N 1 0 386.290 1.938 20 0 GDADRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000119377910 530924459 /nfs/dbraw/zinc/92/44/59/530924459.db2.gz LEUVDTJSGJHPER-UHFFFAOYSA-N 1 0 388.555 1.881 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190836080 530939016 /nfs/dbraw/zinc/93/90/16/530939016.db2.gz KJUWRYQGKWQNNL-MRVPVSSYSA-N 1 0 376.201 1.876 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1nc(Br)ccc1Br ZINC000191076402 530943454 /nfs/dbraw/zinc/94/34/54/530943454.db2.gz TXXDRPZVERPVAP-UHFFFAOYSA-N 1 0 395.095 1.915 20 0 GDADRO O=C(CN1CCCN(c2nnc(C(F)(F)F)s2)CC1)NCC1CCC1 ZINC000191303040 530946811 /nfs/dbraw/zinc/94/68/11/530946811.db2.gz BPRCNCAEUQFKII-UHFFFAOYSA-N 1 0 377.436 1.985 20 0 GDADRO C[NH2+]CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000120934532 530947755 /nfs/dbraw/zinc/94/77/55/530947755.db2.gz CMAAJWQTGNMZFJ-UHFFFAOYSA-N 1 0 391.896 1.606 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1Br ZINC000121110705 530950592 /nfs/dbraw/zinc/95/05/92/530950592.db2.gz NBHGZEBDALAJMQ-CYBMUJFWSA-N 1 0 397.317 1.448 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000122536657 530972606 /nfs/dbraw/zinc/97/26/06/530972606.db2.gz YKDFXKHBIXZMCR-LBPRGKRZSA-N 1 0 381.420 1.499 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000122556390 530973395 /nfs/dbraw/zinc/97/33/95/530973395.db2.gz JEORSFYEKWYNKK-ZDUSSCGKSA-N 1 0 379.448 1.928 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1Br ZINC000193234177 530982042 /nfs/dbraw/zinc/98/20/42/530982042.db2.gz ZOPPFDQJKSEDDF-JTQLQIEISA-N 1 0 376.276 1.438 20 0 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C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152633646 531155264 /nfs/dbraw/zinc/15/52/64/531155264.db2.gz JFLTXVPLJJGSHS-BMIGLBTASA-N 1 0 377.254 1.784 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000153257537 531165295 /nfs/dbraw/zinc/16/52/95/531165295.db2.gz KUEAIMBPANTNAG-NSHDSACASA-N 1 0 396.340 1.916 20 0 GDADRO C[C@H]1CN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)C[C@H](C)[NH2+]1 ZINC000153225680 531164460 /nfs/dbraw/zinc/16/44/60/531164460.db2.gz OTWTWTVXYFBHBZ-RYUDHWBXSA-N 1 0 396.285 1.773 20 0 GDADRO C[C@H](CNS(=O)(=O)Cc1ccccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000153255676 531165208 /nfs/dbraw/zinc/16/52/08/531165208.db2.gz GDXDRBDRXUXBHW-CYBMUJFWSA-N 1 0 379.448 1.761 20 0 GDADRO CN(CCNC(=O)c1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cccs1 ZINC000153522129 531168879 /nfs/dbraw/zinc/16/88/79/531168879.db2.gz VWOWEQODTDZYCM-UHFFFAOYSA-N 1 0 381.523 1.860 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000153856584 531173008 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COc1cc(Br)ccc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000264479823 531187047 /nfs/dbraw/zinc/18/70/47/531187047.db2.gz HNUHAHKBUBZGNB-ZDUSSCGKSA-N 1 0 384.274 1.527 20 0 GDADRO NS(=O)(=O)CCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000264596768 531192313 /nfs/dbraw/zinc/19/23/13/531192313.db2.gz HKXCSUJZCWRYTK-OAHLLOKOSA-N 1 0 388.921 1.282 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000155036789 531194098 /nfs/dbraw/zinc/19/40/98/531194098.db2.gz DCKQGOUPGDRPQI-DOMZBBRYSA-N 1 0 382.302 1.978 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000264652437 531195746 /nfs/dbraw/zinc/19/57/46/531195746.db2.gz QTHMPPIBEVOZDP-GFCCVEGCSA-N 1 0 385.917 1.804 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000264776999 531200586 /nfs/dbraw/zinc/20/05/86/531200586.db2.gz PCUPWUNRWNEUOG-ZDUSSCGKSA-N 1 0 394.273 1.395 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264779185 531200667 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Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCS(=O)(=O)N(C)C)cc1 ZINC000290215893 531216803 /nfs/dbraw/zinc/21/68/03/531216803.db2.gz QIANEVAJZPGGMN-IRXDYDNUSA-N 1 0 388.555 1.561 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000519868589 531223164 /nfs/dbraw/zinc/22/31/64/531223164.db2.gz BJSUVWPETRRVPF-KBPBESRZSA-N 1 0 387.933 1.855 20 0 GDADRO OC[C@@H](C[NH2+]C[C@@H](O)Cn1cccn1)Cc1cc(Br)ccc1F ZINC000519778423 531220287 /nfs/dbraw/zinc/22/02/87/531220287.db2.gz ZDNHKUZYQPKUSX-IUODEOHRSA-N 1 0 386.265 1.586 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000519774820 531220363 /nfs/dbraw/zinc/22/03/63/531220363.db2.gz RQZGHZDDKLITPY-SFYZADRCSA-N 1 0 376.240 1.961 20 0 GDADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H](C)C1 ZINC000519777991 531220555 /nfs/dbraw/zinc/22/05/55/531220555.db2.gz QMZAJRLABDPINC-SGMGOOAPSA-N 1 0 395.301 1.971 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000519774842 531220762 /nfs/dbraw/zinc/22/07/62/531220762.db2.gz RQZGHZDDKLITPY-YUMQZZPRSA-N 1 0 376.240 1.961 20 0 GDADRO CS(=O)(=O)CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276727817 531224771 /nfs/dbraw/zinc/22/47/71/531224771.db2.gz QKEVEISSTMNGCG-UHFFFAOYSA-N 1 0 391.331 1.810 20 0 GDADRO C[C@@H]1C[N@H+](CCCNC(=O)NC2CCC(S(C)(=O)=O)CC2)CCCO1 ZINC000433392324 531224048 /nfs/dbraw/zinc/22/40/48/531224048.db2.gz ZCFABVUHTVUPQM-QQFBHYJXSA-N 1 0 375.535 1.142 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709818 531234770 /nfs/dbraw/zinc/23/47/70/531234770.db2.gz GMKRZWVPPOGTGA-ZFWWWQNUSA-N 1 0 399.333 1.807 20 0 GDADRO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000434702916 531247720 /nfs/dbraw/zinc/24/77/20/531247720.db2.gz OKQBUQIYIXXBBP-HOCLYGCPSA-N 1 0 387.318 1.841 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000277017424 531249814 /nfs/dbraw/zinc/24/98/14/531249814.db2.gz ZCXYCPXPLFQTFX-UHFFFAOYSA-N 1 0 396.738 1.628 20 0 GDADRO COCCNc1ccc(S(C)(=O)=O)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000434861385 531250253 /nfs/dbraw/zinc/25/02/53/531250253.db2.gz MQFUBHRNNGOPBT-GFCCVEGCSA-N 1 0 387.527 1.182 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000473267990 531250292 /nfs/dbraw/zinc/25/02/92/531250292.db2.gz GPACOWABBLHBJF-INIZCTEOSA-N 1 0 387.274 1.653 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)s1 ZINC000434866745 531251126 /nfs/dbraw/zinc/25/11/26/531251126.db2.gz DVLKZZPRHZHQAU-GFCCVEGCSA-N 1 0 391.584 1.490 20 0 GDADRO CCC1(CC)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000349486598 531241213 /nfs/dbraw/zinc/24/12/13/531241213.db2.gz ARWUBZQISAETIS-UHFFFAOYSA-N 1 0 389.543 1.396 20 0 GDADRO COC(=O)[C@@H]1CN(c2ncnc3ccc(Br)cc32)CC[N@H+](C)C1 ZINC000521210363 531241494 /nfs/dbraw/zinc/24/14/94/531241494.db2.gz GGLAMLQNENSJKD-NSHDSACASA-N 1 0 379.258 1.933 20 0 GDADRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCCC1 ZINC000290599422 531243410 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CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H](C(C)(C)C)C1)S(C)(=O)=O ZINC000483241198 531409768 /nfs/dbraw/zinc/40/97/68/531409768.db2.gz RZVLPCHPZDBLIM-INIZCTEOSA-N 1 0 375.579 1.921 20 0 GDADRO CCc1n[nH]c(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1Br ZINC000279078180 531412289 /nfs/dbraw/zinc/41/22/89/531412289.db2.gz QXRJVKIYPAPJTA-UHFFFAOYSA-N 1 0 385.306 1.919 20 0 GDADRO CS[C@H]1CN(C(=O)c2cncc(NS(C)(=O)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483414556 531412456 /nfs/dbraw/zinc/41/24/56/531412456.db2.gz YVRXCEGCHJJYJX-GJZGRUSLSA-N 1 0 384.527 1.105 20 0 GDADRO C[C@@H](CC(N)=O)[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000267226144 531413287 /nfs/dbraw/zinc/41/32/87/531413287.db2.gz KCNYLPVXIHUQPJ-JTQLQIEISA-N 1 0 377.304 1.855 20 0 GDADRO COc1ccc(Cl)cc1CS(=O)(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000483669818 531413473 /nfs/dbraw/zinc/41/34/73/531413473.db2.gz IAFNXDFJEKCHHW-GJZGRUSLSA-N 1 0 376.906 1.829 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cccc(I)c2)C1 ZINC000447240668 531421112 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COCCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)C[NH3+] ZINC000447251328 531422943 /nfs/dbraw/zinc/42/29/43/531422943.db2.gz PADWWPLBOIPGNQ-JTQLQIEISA-N 1 0 381.292 1.347 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000447248573 531422969 /nfs/dbraw/zinc/42/29/69/531422969.db2.gz LSTDBBIWDFPRER-GFCCVEGCSA-N 1 0 377.260 1.251 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000447249836 531422972 /nfs/dbraw/zinc/42/29/72/531422972.db2.gz VEZJQNQVPJCWRJ-NEPJUHHUSA-N 1 0 384.889 1.892 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000267302379 531418285 /nfs/dbraw/zinc/41/82/85/531418285.db2.gz VAXPQVHDNQMOHK-KBPBESRZSA-N 1 0 389.543 1.088 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CC[N@H+](C)C1 ZINC000413917641 531424212 /nfs/dbraw/zinc/42/42/12/531424212.db2.gz KGLAFSSSDSZMEF-LBPRGKRZSA-N 1 0 387.249 1.694 20 0 GDADRO C[C@@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H](C)[N@H+]1C ZINC000293481075 531424237 /nfs/dbraw/zinc/42/42/37/531424237.db2.gz RXPJOWDXYUPQIR-TXEJJXNPSA-N 1 0 375.441 1.646 20 0 GDADRO O=C(CC[N@@H+](CCO)Cc1ccc(Br)s1)N1CCOCC1 ZINC000485124167 531428524 /nfs/dbraw/zinc/42/85/24/531428524.db2.gz QEBVLBZVHWWELK-UHFFFAOYSA-N 1 0 377.304 1.554 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1Br ZINC000279377958 531430072 /nfs/dbraw/zinc/43/00/72/531430072.db2.gz XUDUFDAEMBHMDP-PHIMTYICSA-N 1 0 382.258 1.416 20 0 GDADRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533538547 531430356 /nfs/dbraw/zinc/43/03/56/531430356.db2.gz SPHVBXROHMHJAG-ZDUSSCGKSA-N 1 0 380.242 1.985 20 0 GDADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000414253642 531437035 /nfs/dbraw/zinc/43/70/35/531437035.db2.gz JHVLOXUMINRBMO-CYBMUJFWSA-N 1 0 376.544 1.801 20 0 GDADRO CC[NH+](CC)CCNC(=O)NC[C@H](O)COc1ccccc1Br ZINC000485465710 531433765 /nfs/dbraw/zinc/43/37/65/531433765.db2.gz NIZKJZYMPQMYKF-ZDUSSCGKSA-N 1 0 388.306 1.830 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)s1 ZINC000485956589 531441718 /nfs/dbraw/zinc/44/17/18/531441718.db2.gz MZNUQDNHXBTLGA-SWLSCSKDSA-N 1 0 385.555 1.396 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000293766140 531441770 /nfs/dbraw/zinc/44/17/70/531441770.db2.gz UUWWNHZGTYHFKT-KGLIPLIRSA-N 1 0 385.555 1.748 20 0 GDADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCSC(C)(C)C1 ZINC000267646654 531441967 /nfs/dbraw/zinc/44/19/67/531441967.db2.gz WUNRJOQWLXVFIL-CYBMUJFWSA-N 1 0 385.555 1.209 20 0 GDADRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414306268 531438338 /nfs/dbraw/zinc/43/83/38/531438338.db2.gz ZHCVPNBKZWADTF-SNVBAGLBSA-N 1 0 390.303 1.197 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)N1CC[NH+](C)CC1 ZINC000447870112 531438898 /nfs/dbraw/zinc/43/88/98/531438898.db2.gz WZTGFTRNTLRBGO-NSHDSACASA-N 1 0 383.411 1.759 20 0 GDADRO CN(C)c1ncccc1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414297208 531439198 /nfs/dbraw/zinc/43/91/98/531439198.db2.gz YMECGRNJFWTUKL-UHFFFAOYSA-N 1 0 399.314 1.847 20 0 GDADRO CC[NH+](CC)C[C@H](C)NCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414330728 531440106 /nfs/dbraw/zinc/44/01/06/531440106.db2.gz QDRGCKRTXQRLKJ-NSHDSACASA-N 1 0 378.336 1.916 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCCO[C@@H]2CCOC2)cc1Br ZINC000414374335 531445734 /nfs/dbraw/zinc/44/57/34/531445734.db2.gz CNLPRZRJERVNSJ-GFCCVEGCSA-N 1 0 393.303 1.382 20 0 GDADRO O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000361330902 531448037 /nfs/dbraw/zinc/44/80/37/531448037.db2.gz JTLJPSFSEFCXLY-LSDHHAIUSA-N 1 0 383.539 1.598 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1Br ZINC000414363818 531443373 /nfs/dbraw/zinc/44/33/73/531443373.db2.gz YRXQARRWMIKYLL-ZYHUDNBSSA-N 1 0 377.304 1.737 20 0 GDADRO CC1(C)[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@H]2CCO[C@H]21 ZINC000414356707 531443446 /nfs/dbraw/zinc/44/34/46/531443446.db2.gz GJUFKXNQRYWZOH-LERXQTSPSA-N 1 0 389.315 2.000 20 0 GDADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncncc1Br ZINC000535230015 531443712 /nfs/dbraw/zinc/44/37/12/531443712.db2.gz RPRPWGRDIBRLOY-HNNXBMFYSA-N 1 0 392.301 1.940 20 0 GDADRO Cn1ncc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1I ZINC000293797127 531444585 /nfs/dbraw/zinc/44/45/85/531444585.db2.gz VCMDKMKVSYLBPA-ZYHUDNBSSA-N 1 0 388.253 1.581 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000293903064 531451446 /nfs/dbraw/zinc/45/14/46/531451446.db2.gz NVIHQGFFSQHLFG-KRWDZBQOSA-N 1 0 385.917 1.758 20 0 GDADRO CN1CCN([C@H](CNC(=O)C[N@H+](C)[C@H]2CCSC2)c2cccs2)CC1 ZINC000536523165 531452070 /nfs/dbraw/zinc/45/20/70/531452070.db2.gz VWJWIQJEZOXHAY-JKSUJKDBSA-N 1 0 382.599 1.590 20 0 GDADRO CN1CCN([C@@H](CNC(=O)C[N@H+](C)[C@H]2CCSC2)c2cccs2)CC1 ZINC000536523163 531452108 /nfs/dbraw/zinc/45/21/08/531452108.db2.gz VWJWIQJEZOXHAY-HOTGVXAUSA-N 1 0 382.599 1.590 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361811580 531452131 /nfs/dbraw/zinc/45/21/31/531452131.db2.gz CGGSGNSEPRAJBS-AEGPPILISA-N 1 0 385.917 1.750 20 0 GDADRO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000267790252 531452754 /nfs/dbraw/zinc/45/27/54/531452754.db2.gz LYPPRJOBNKLULO-AWEZNQCLSA-N 1 0 385.511 1.933 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000279783465 531453309 /nfs/dbraw/zinc/45/33/09/531453309.db2.gz FRFQKGYSWUNZNN-CQSZACIVSA-N 1 0 395.301 1.982 20 0 GDADRO CSc1ncc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)n1 ZINC000536549262 531453342 /nfs/dbraw/zinc/45/33/42/531453342.db2.gz KAMFOIOQWHBZER-TZMCWYRMSA-N 1 0 383.949 1.950 20 0 GDADRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc(S(N)(=O)=O)c1 ZINC000537012723 531453902 /nfs/dbraw/zinc/45/39/02/531453902.db2.gz DSGUGUONHAKSRR-ZDUSSCGKSA-N 1 0 382.507 1.729 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cccc(S(N)(=O)=O)c1 ZINC000537012644 531454370 /nfs/dbraw/zinc/45/43/70/531454370.db2.gz ZZKRJBQRUZYEMF-GFCCVEGCSA-N 1 0 383.495 1.556 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CC(C)(C[NH+]1CCOCC1)C(=O)Nc1nnc2ccc(Br)cn21 ZINC000635978148 531528041 /nfs/dbraw/zinc/52/80/41/531528041.db2.gz LLESJFLCZFPYPQ-UHFFFAOYSA-N 1 0 382.262 1.789 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415780186 531528855 /nfs/dbraw/zinc/52/88/55/531528855.db2.gz CIPOLPDEFCRAPP-LLVKDONJSA-N 1 0 384.278 1.471 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000636001175 531529637 /nfs/dbraw/zinc/52/96/37/531529637.db2.gz WLGQMFPADUPXIZ-ZDUSSCGKSA-N 1 0 396.333 1.876 20 0 GDADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582014145 531529871 /nfs/dbraw/zinc/52/98/71/531529871.db2.gz INODPADOKBYLAG-VNQPRFMTSA-N 1 0 394.313 1.788 20 0 GDADRO CSc1cc2c(cc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)OCCO2 ZINC000415794296 531532736 /nfs/dbraw/zinc/53/27/36/531532736.db2.gz VOZYGDRPJBSMMV-MRVPVSSYSA-N 1 0 375.397 1.217 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)NC(C)(C)C[NH3+])CC1 ZINC000415793170 531531070 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COc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c(Cl)cc1Br ZINC000659081447 531538229 /nfs/dbraw/zinc/53/82/29/531538229.db2.gz MSTAJEMGZKHRTI-SNVBAGLBSA-N 1 0 390.665 1.903 20 0 GDADRO COC(=O)c1ccc(Br)cc1Cn1cnc2c(c1=O)CC[NH2+]CC2 ZINC000582179725 531539126 /nfs/dbraw/zinc/53/91/26/531539126.db2.gz UFTRZFPOQFKUTJ-UHFFFAOYSA-N 1 0 392.253 1.529 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415830183 531539179 /nfs/dbraw/zinc/53/91/79/531539179.db2.gz HWTSZPKVRZUCAF-WDEREUQCSA-N 1 0 384.274 1.948 20 0 GDADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000415833310 531539328 /nfs/dbraw/zinc/53/93/28/531539328.db2.gz MQUWYVXLQVGTCW-SNVBAGLBSA-N 1 0 376.240 1.435 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1Br ZINC000415844058 531541630 /nfs/dbraw/zinc/54/16/30/531541630.db2.gz TZSRNFSCIDBSGC-QLJPJBMISA-N 1 0 384.274 1.840 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC[C@H]1F ZINC000659109581 531541884 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[NH3+][C@H]1CCC[C@@H](CNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000582064170 531533898 /nfs/dbraw/zinc/53/38/98/531533898.db2.gz XEIBKCZANYZNAO-MNOVXSKESA-N 1 0 394.324 1.905 20 0 GDADRO CN(CC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C(=O)c1ccc(Br)o1 ZINC000636096207 531535531 /nfs/dbraw/zinc/53/55/31/531535531.db2.gz UUELNGYIBBNURU-TXEJJXNPSA-N 1 0 384.274 1.857 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415813441 531536050 /nfs/dbraw/zinc/53/60/50/531536050.db2.gz UMTCDFCFUBYZMT-BQBZGAKWSA-N 1 0 390.209 1.165 20 0 GDADRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000416021283 531554909 /nfs/dbraw/zinc/55/49/09/531554909.db2.gz CXMPAVWXRLQKFG-AAEUAGOBSA-N 1 0 381.420 1.736 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1cccc(Br)c1 ZINC000659699177 531555116 /nfs/dbraw/zinc/55/51/16/531555116.db2.gz MHRZEGYKRILSNP-UHFFFAOYSA-N 1 0 394.313 1.711 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)Oc1cccc(Br)c1 ZINC000659701961 531555759 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CC1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C[NH2+]C1 ZINC000583691525 531589704 /nfs/dbraw/zinc/58/97/04/531589704.db2.gz XEKDMUKTQSGVIS-UHFFFAOYSA-N 1 0 381.274 1.631 20 0 GDADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000281189863 531591787 /nfs/dbraw/zinc/59/17/87/531591787.db2.gz RDKGOLVPEOTGME-AWEZNQCLSA-N 1 0 386.539 1.844 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2C)C[C@@H]1[NH+]1CCCC1 ZINC000614278320 531592471 /nfs/dbraw/zinc/59/24/71/531592471.db2.gz SOWOLMHAZTZZFV-JKSUJKDBSA-N 1 0 383.539 1.294 20 0 GDADRO Cn1nnnc1CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637009412 531593994 /nfs/dbraw/zinc/59/39/94/531593994.db2.gz HFXYIWNNKLQSFH-ZDUSSCGKSA-N 1 0 386.287 1.662 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000637078248 531599479 /nfs/dbraw/zinc/59/94/79/531599479.db2.gz BCZVSWMCPXCNNT-ZDUSSCGKSA-N 1 0 399.289 1.022 20 0 GDADRO CN(CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccc(Br)o1 ZINC000494344741 531599897 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XXJBCTDJMZOQET-RKDXNWHRSA-N 1 0 378.376 1.080 20 0 GDADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@H](C)C[NH2+]1 ZINC000561198526 531686122 /nfs/dbraw/zinc/68/61/22/531686122.db2.gz SACRBXHDMYCILX-MCIONIFRSA-N 1 0 386.543 1.151 20 0 GDADRO CN(C(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000561223271 531686800 /nfs/dbraw/zinc/68/68/00/531686800.db2.gz DUKMVSRVGVWLQF-YPMHNXCESA-N 1 0 393.843 1.807 20 0 GDADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])c(F)cc1F ZINC000662564051 531689366 /nfs/dbraw/zinc/68/93/66/531689366.db2.gz VMIVQEPBHPFNTB-XPTSAGLGSA-N 1 0 377.413 1.419 20 0 GDADRO Cc1nn(C)c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1Br ZINC000365681551 531671563 /nfs/dbraw/zinc/67/15/63/531671563.db2.gz SKBBRXGJCFLMGD-HIFRSBDPSA-N 1 0 384.366 1.949 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC34CC(C3)C[NH2+]4)C2)s1 ZINC000662722571 531693962 /nfs/dbraw/zinc/69/39/62/531693962.db2.gz QMMUVOPRRWTLCK-XOYHFGRZSA-N 1 0 383.539 1.325 20 0 GDADRO 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GDADRO Cn1cc(Br)c(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)n1 ZINC000665023630 531732571 /nfs/dbraw/zinc/73/25/71/531732571.db2.gz LSLRAJKDHMRWLJ-LBPRGKRZSA-N 1 0 388.310 1.435 20 0 GDADRO C[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)S(N)(=O)=O ZINC000663459264 531713897 /nfs/dbraw/zinc/71/38/97/531713897.db2.gz RNRSBKMSZYBTHU-IUODEOHRSA-N 1 0 388.921 1.453 20 0 GDADRO CCS(=O)(=O)N1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)C1 ZINC000561568424 531714010 /nfs/dbraw/zinc/71/40/10/531714010.db2.gz TUXILOUHZDDEIA-HUUCEWRRSA-N 1 0 376.567 1.418 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451917474 531714662 /nfs/dbraw/zinc/71/46/62/531714662.db2.gz WUJYLNCSDMROMG-OAHLLOKOSA-N 1 0 399.340 1.746 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000663616396 531716269 /nfs/dbraw/zinc/71/62/69/531716269.db2.gz XORKCIBKEUZNDC-HNNXBMFYSA-N 1 0 386.246 1.273 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1Br ZINC000663613298 531716458 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CC(C)[NH+](CCCNC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21)C(C)C ZINC000416700011 531739087 /nfs/dbraw/zinc/73/90/87/531739087.db2.gz XJIMMSMDGCADHI-CVEARBPZSA-N 1 0 375.535 1.093 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Cl)s1 ZINC000366358999 531740982 /nfs/dbraw/zinc/74/09/82/531740982.db2.gz UMQZQCVNFHXHFE-RKDXNWHRSA-N 1 0 384.932 1.178 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000416908279 531744145 /nfs/dbraw/zinc/74/41/45/531744145.db2.gz DCOIYUFUSKJZRG-QWHCGFSZSA-N 1 0 388.559 1.848 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cnc2ncc(Br)cc2c1 ZINC000640322182 531744413 /nfs/dbraw/zinc/74/44/13/531744413.db2.gz OSCBJKVRAADMBZ-AWEZNQCLSA-N 1 0 379.258 1.579 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N(CCC[NH3+])CC2CCCC2)s1 ZINC000416924376 531746362 /nfs/dbraw/zinc/74/63/62/531746362.db2.gz XAOUJIYAJSJEFM-UHFFFAOYSA-N 1 0 388.559 1.707 20 0 GDADRO C[NH+](C)CCOCCNC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640385267 531746449 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[NH3+]C[C@@H](O)CCc1cn(Cc2cc3c(cc2Br)OCCO3)nn1 ZINC000640852402 531770109 /nfs/dbraw/zinc/77/01/09/531770109.db2.gz SSAJNAOPPVXIRC-LBPRGKRZSA-N 1 0 383.246 1.112 20 0 GDADRO COC[C@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640900867 531770794 /nfs/dbraw/zinc/77/07/94/531770794.db2.gz DBWIUOMQYUNMAC-GHMZBOCLSA-N 1 0 382.262 1.757 20 0 GDADRO O=C(CS(=O)(=O)Cc1ccc(Br)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000562668041 531771434 /nfs/dbraw/zinc/77/14/34/531771434.db2.gz ZJQLECDVDCQNQN-OCCSQVGLSA-N 1 0 387.299 1.184 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)[C@H]1C ZINC000417436638 531772014 /nfs/dbraw/zinc/77/20/14/531772014.db2.gz PBXVVTCUSLYIGF-OLZOCXBDSA-N 1 0 397.317 1.961 20 0 GDADRO C[C@@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000417444485 531772614 /nfs/dbraw/zinc/77/26/14/531772614.db2.gz YNZGHAHKFHQWLX-OCCSQVGLSA-N 1 0 397.317 1.866 20 0 GDADRO O=C(NCCNC(=O)c1cccc(Br)c1)NCC[C@H]1CCC[NH2+]C1 ZINC000417442105 531772656 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CC[C@@H]([NH3+])CNC(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000417517807 531778567 /nfs/dbraw/zinc/77/85/67/531778567.db2.gz QZMYRWAJUWJBGD-GFCCVEGCSA-N 1 0 376.548 1.358 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)COc2ccc(I)cc2)CCO1 ZINC000592310659 531778765 /nfs/dbraw/zinc/77/87/65/531778765.db2.gz XGFUVMZFUXIGIM-MFKMUULPSA-N 1 0 390.221 1.245 20 0 GDADRO Fc1c(Br)ccc(Cn2cc(CCN3CC[NH2+]CC3)nn2)c1F ZINC000641168669 531783390 /nfs/dbraw/zinc/78/33/90/531783390.db2.gz HAQAUEDGWXUCFD-UHFFFAOYSA-N 1 0 386.244 1.815 20 0 GDADRO O=C(NCc1ccc(Cl)cc1I)NCC1C[NH2+]C1 ZINC000418087206 531801707 /nfs/dbraw/zinc/80/17/07/531801707.db2.gz GGVIXHGHTFKMSS-UHFFFAOYSA-N 1 0 379.629 1.963 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000418079784 531801735 /nfs/dbraw/zinc/80/17/35/531801735.db2.gz RJEVLHKUPUHXMA-HNNXBMFYSA-N 1 0 376.567 1.594 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000418087520 531801866 /nfs/dbraw/zinc/80/18/66/531801866.db2.gz 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ZINC000417913560 531791222 /nfs/dbraw/zinc/79/12/22/531791222.db2.gz QPPIQSGPJHRIAL-ZDUSSCGKSA-N 1 0 388.559 1.412 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCn3cc(Br)ccc3=O)[C@@H]2C1 ZINC000563054078 531802002 /nfs/dbraw/zinc/80/20/02/531802002.db2.gz OGQBDFZNYOOIQY-GXTWGEPZSA-N 1 0 383.290 1.346 20 0 GDADRO Cc1oc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1S(N)(=O)=O ZINC000282762962 531791859 /nfs/dbraw/zinc/79/18/59/531791859.db2.gz CHIDDXUKMKHTBE-ZDUSSCGKSA-N 1 0 385.873 1.922 20 0 GDADRO [NH3+][C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000668154405 531791981 /nfs/dbraw/zinc/79/19/81/531791981.db2.gz KNZAOUXPWWQIIY-AWEZNQCLSA-N 1 0 378.475 1.095 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000592491990 531792079 /nfs/dbraw/zinc/79/20/79/531792079.db2.gz PSGOBFABQVOUFH-AWEZNQCLSA-N 1 0 384.274 1.533 20 0 GDADRO O=C(c1cc(Br)c[nH]c1=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000623020458 531792911 /nfs/dbraw/zinc/79/29/11/531792911.db2.gz KLGABCQVSZZPFH-CYBMUJFWSA-N 1 0 384.274 1.877 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000562980276 531794799 /nfs/dbraw/zinc/79/47/99/531794799.db2.gz PLDHASHLANGPTK-DGCLKSJQSA-N 1 0 393.285 1.793 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000417995281 531795139 /nfs/dbraw/zinc/79/51/39/531795139.db2.gz CZNYKEVASOSWAC-CQSZACIVSA-N 1 0 394.317 1.676 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000563010898 531797013 /nfs/dbraw/zinc/79/70/13/531797013.db2.gz KNGWKCADKVCMFG-BHYGNILZSA-N 1 0 390.933 1.525 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCc1cccc(Br)c1 ZINC000297503856 531797298 /nfs/dbraw/zinc/79/72/98/531797298.db2.gz BMIVXHSQPQIZLD-CQSZACIVSA-N 1 0 383.334 1.927 20 0 GDADRO CC(C)[C@@]1(C)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000563000420 531797756 /nfs/dbraw/zinc/79/77/56/531797756.db2.gz LVGCJGRDOICYMV-DLBZAZTESA-N 1 0 388.555 1.735 20 0 GDADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)s1 ZINC000516484487 531818176 /nfs/dbraw/zinc/81/81/76/531818176.db2.gz XLOYZFCLUPQXDD-TZMCWYRMSA-N 1 0 390.575 1.562 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cn(-c2ccccc2Br)nn1 ZINC000418115480 531803087 /nfs/dbraw/zinc/80/30/87/531803087.db2.gz PKDFGYZUCGDKDR-ZIAGYGMSSA-N 1 0 394.317 1.917 20 0 GDADRO COC(=O)CNC(=O)[C@H]1CCCN1Cc1cccc(Br)c1OC ZINC000418125295 531804116 /nfs/dbraw/zinc/80/41/16/531804116.db2.gz NOYCADFNGINJMW-CYBMUJFWSA-N 1 0 385.258 1.711 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000367066635 531804707 /nfs/dbraw/zinc/80/47/07/531804707.db2.gz KIDAAOWWNRHJTP-UWVGGRQHSA-N 1 0 381.267 1.778 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418148089 531804869 /nfs/dbraw/zinc/80/48/69/531804869.db2.gz NJLOSZQTHKNMQL-OCCSQVGLSA-N 1 0 388.921 1.306 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(Br)ccc1OC ZINC000367067970 531804997 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C[NH2+][C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418156724 531807586 /nfs/dbraw/zinc/80/75/86/531807586.db2.gz NJYKLPSDHCAWEZ-LBPRGKRZSA-N 1 0 392.884 1.151 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(I)c[nH]1)CCO2 ZINC000592898651 531808673 /nfs/dbraw/zinc/80/86/73/531808673.db2.gz LKENESDNAJBZSK-UHFFFAOYSA-N 1 0 389.237 1.556 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418164797 531810450 /nfs/dbraw/zinc/81/04/50/531810450.db2.gz INGFBTAZPGNTBH-ZIAGYGMSSA-N 1 0 388.559 1.575 20 0 GDADRO COCC[NH2+]CCNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418166148 531811394 /nfs/dbraw/zinc/81/13/94/531811394.db2.gz UAAALMPCZMYXHQ-GFCCVEGCSA-N 1 0 376.226 1.557 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NCc1cc(F)c(F)cc1Br ZINC000418175516 531813261 /nfs/dbraw/zinc/81/32/61/531813261.db2.gz FMASDKFFWUNBIF-UHFFFAOYSA-N 1 0 391.260 1.822 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000418187192 531813792 /nfs/dbraw/zinc/81/37/92/531813792.db2.gz RGLRXQOBWBAINC-CQSZACIVSA-N 1 0 388.921 1.320 20 0 GDADRO Cc1cccc(I)c1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000563159362 531814074 /nfs/dbraw/zinc/81/40/74/531814074.db2.gz IANJYAMOBOVFEP-ZDUSSCGKSA-N 1 0 399.276 1.719 20 0 GDADRO CN(C(=O)c1csc(CC[NH3+])n1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000563160728 531814227 /nfs/dbraw/zinc/81/42/27/531814227.db2.gz NCPSRBVJOFFVBB-CYBMUJFWSA-N 1 0 397.298 1.705 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(F)ccc1I ZINC000269965444 531814277 /nfs/dbraw/zinc/81/42/77/531814277.db2.gz YRGZEOGHVJCXEH-CYBMUJFWSA-N 1 0 380.201 1.473 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418183753 531814402 /nfs/dbraw/zinc/81/44/02/531814402.db2.gz MARIDBOFUNCRKA-GXTWGEPZSA-N 1 0 388.921 1.353 20 0 GDADRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453367726 531814446 /nfs/dbraw/zinc/81/44/46/531814446.db2.gz MRFSDBKMNGOUHK-JTQLQIEISA-N 1 0 396.340 1.748 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C 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1.341 20 0 GDADRO O=C(NCc1nc2c(cccc2Br)[nH]1)NC[C@H]1C[NH2+]CCCO1 ZINC000418269271 531817793 /nfs/dbraw/zinc/81/77/93/531817793.db2.gz QLSHLCJNHCMQGC-SNVBAGLBSA-N 1 0 382.262 1.503 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)Cn2ccnc2C)s1 ZINC000297740923 531817882 /nfs/dbraw/zinc/81/78/82/531817882.db2.gz JRYWWTZOHSLRFI-UHFFFAOYSA-N 1 0 384.527 1.642 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1Br ZINC000623754268 531822348 /nfs/dbraw/zinc/82/23/48/531822348.db2.gz LUQBNILVGVPJGI-YPMHNXCESA-N 1 0 375.288 1.754 20 0 GDADRO CCOc1cc(C[NH2+]CCNC(=O)c2ccn[nH]2)cc(Br)c1O ZINC000297810473 531823987 /nfs/dbraw/zinc/82/39/87/531823987.db2.gz YBSRXBGNRJXAEN-UHFFFAOYSA-N 1 0 383.246 1.796 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000418395406 531824661 /nfs/dbraw/zinc/82/46/61/531824661.db2.gz SODYZBHFHPIPNV-NHYWBVRUSA-N 1 0 388.306 1.988 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000418395661 531825049 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CCS(=O)(=O)c1ccc(CCC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000270164301 531835252 /nfs/dbraw/zinc/83/52/52/531835252.db2.gz BINUVVGZWDSSMK-SFHVURJKSA-N 1 0 384.567 1.966 20 0 GDADRO C[NH+](C)CCCN(C(=O)Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000283169526 531835506 /nfs/dbraw/zinc/83/55/06/531835506.db2.gz KNWQVIVCBFHONK-LBPRGKRZSA-N 1 0 378.947 1.911 20 0 GDADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1ccc(Br)o1 ZINC000297983363 531838114 /nfs/dbraw/zinc/83/81/14/531838114.db2.gz UTWQRMHTFBMKJR-UHFFFAOYSA-N 1 0 386.290 1.945 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418757184 531838090 /nfs/dbraw/zinc/83/80/90/531838090.db2.gz DMIQVYGZDGHMQE-GXFFZTMASA-N 1 0 381.782 1.680 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000624358898 531838809 /nfs/dbraw/zinc/83/88/09/531838809.db2.gz XZKLIZPEKYJHDF-QWHCGFSZSA-N 1 0 375.441 1.878 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000624370360 531839212 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1.804 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000418842110 531851340 /nfs/dbraw/zinc/85/13/40/531851340.db2.gz ZSPAETYWGQNJKQ-DLKVLKDVSA-N 1 0 394.313 1.926 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418841376 531851942 /nfs/dbraw/zinc/85/19/42/531851942.db2.gz DTGGHSSRMWOKEI-GFCCVEGCSA-N 1 0 386.265 1.587 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)Cc2cccc(Br)c2)C1 ZINC000418848474 531852660 /nfs/dbraw/zinc/85/26/60/531852660.db2.gz YXAHDVDDCQWRRM-JSGCOSHPSA-N 1 0 382.302 1.564 20 0 GDADRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000641804595 531853256 /nfs/dbraw/zinc/85/32/56/531853256.db2.gz ZIWJSNIOYQNFGW-KBPBESRZSA-N 1 0 386.327 1.752 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563585632 531853794 /nfs/dbraw/zinc/85/37/94/531853794.db2.gz PSLIATGBPJGSHO-LBPRGKRZSA-N 1 0 383.290 1.111 20 0 GDADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563580471 531854453 /nfs/dbraw/zinc/85/44/53/531854453.db2.gz IOQFRNJUWPZRSY-VNHYZAJKSA-N 1 0 385.917 1.801 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)NC/C=C/C[NH3+] ZINC000641861557 531854748 /nfs/dbraw/zinc/85/47/48/531854748.db2.gz BXILVWKQBZFGDA-JDGPPOGSSA-N 1 0 386.290 1.423 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418851952 531854777 /nfs/dbraw/zinc/85/47/77/531854777.db2.gz GLJVSUQBCXTILC-CYBMUJFWSA-N 1 0 382.302 1.961 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000418789319 531840649 /nfs/dbraw/zinc/84/06/49/531840649.db2.gz WKAFALMJNVZFKS-IINYFYTJSA-N 1 0 384.274 1.331 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CCC1 ZINC000418799702 531841364 /nfs/dbraw/zinc/84/13/64/531841364.db2.gz AWRKWCRHHNBTLY-GXFFZTMASA-N 1 0 384.249 1.558 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418800597 531843083 /nfs/dbraw/zinc/84/30/83/531843083.db2.gz BRLJYMJXQLTKIM-LHAJWOIZSA-N 1 0 398.276 1.817 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1ccc(F)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000418806087 531843296 /nfs/dbraw/zinc/84/32/96/531843296.db2.gz CBGUMWIDDIVAOR-WDEREUQCSA-N 1 0 386.265 1.709 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000283246516 531844061 /nfs/dbraw/zinc/84/40/61/531844061.db2.gz BBHMWFKRYSDBKV-NSHDSACASA-N 1 0 388.331 1.770 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000624406053 531844138 /nfs/dbraw/zinc/84/41/38/531844138.db2.gz UAQMJGACOBORIN-UONOGXRCSA-N 1 0 387.571 1.872 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000624405975 531844522 /nfs/dbraw/zinc/84/45/22/531844522.db2.gz RXUBSTVNSXDESM-CMPLNLGQSA-N 1 0 389.905 1.469 20 0 GDADRO [NH3+]CCCOCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000624408220 531844820 /nfs/dbraw/zinc/84/48/20/531844820.db2.gz JZSQGGQGFROVAO-ZDUSSCGKSA-N 1 0 392.905 1.399 20 0 GDADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000641625255 531844783 /nfs/dbraw/zinc/84/47/83/531844783.db2.gz SWLATQPRVJZZRM-HUUCEWRRSA-N 1 0 388.555 1.831 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000624406465 531844967 /nfs/dbraw/zinc/84/49/67/531844967.db2.gz CVQYKSYMYQPKIA-UWVGGRQHSA-N 1 0 393.303 1.885 20 0 GDADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000624409304 531845173 /nfs/dbraw/zinc/84/51/73/531845173.db2.gz ZSEWIUNZAFBDOU-GFCCVEGCSA-N 1 0 380.894 1.350 20 0 GDADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000641625842 531845457 /nfs/dbraw/zinc/84/54/57/531845457.db2.gz XZDYHRKQKFCWPV-RHSMWYFYSA-N 1 0 388.555 1.831 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671158350 531845857 /nfs/dbraw/zinc/84/58/57/531845857.db2.gz BHKBPKWNSVIZGY-LBPRGKRZSA-N 1 0 386.315 1.727 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000418816638 531845913 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C[C@H]1CN(CCSc2nnc(-c3cncc(Br)c3)n2N)CCO1 ZINC000298142022 531857057 /nfs/dbraw/zinc/85/70/57/531857057.db2.gz AZVJIVCNZIFLFS-JTQLQIEISA-N 1 0 399.318 1.629 20 0 GDADRO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000563597789 531857215 /nfs/dbraw/zinc/85/72/15/531857215.db2.gz ANBNXTXTXWPNIR-OAHLLOKOSA-N 1 0 376.567 1.466 20 0 GDADRO O=C(CNC(=O)NC1(Cc2ccccc2Br)CC1)N1CC[NH2+]CC1 ZINC000563595018 531857295 /nfs/dbraw/zinc/85/72/95/531857295.db2.gz KKRQWFGYVMVGEF-UHFFFAOYSA-N 1 0 395.301 1.255 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000642351366 531858393 /nfs/dbraw/zinc/85/83/93/531858393.db2.gz GXGXACYBGPFDEL-CYBMUJFWSA-N 1 0 382.258 1.257 20 0 GDADRO C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(Br)cn1 ZINC000418867255 531858551 /nfs/dbraw/zinc/85/85/51/531858551.db2.gz OCSDPCWKTSIJGL-NWDGAFQWSA-N 1 0 383.290 1.527 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)c1ccc(Br)cn1 ZINC000418871601 531859238 /nfs/dbraw/zinc/85/92/38/531859238.db2.gz USEFZBIFSAWPMZ-OPQQBVKSSA-N 1 0 399.289 1.251 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000642433199 531860537 /nfs/dbraw/zinc/86/05/37/531860537.db2.gz USKUSEIWLZGUGN-UHFFFAOYSA-N 1 0 394.313 1.937 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000642724359 531863231 /nfs/dbraw/zinc/86/32/31/531863231.db2.gz HLBDXQSSXLDUJV-CQSZACIVSA-N 1 0 398.301 1.530 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418921733 531863806 /nfs/dbraw/zinc/86/38/06/531863806.db2.gz JWXYEJQZUYIEPE-QMTHXVAHSA-N 1 0 386.265 1.361 20 0 GDADRO CN1CCN(C(=O)C[NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595010951 531865067 /nfs/dbraw/zinc/86/50/67/531865067.db2.gz AEJRMTLOUCLUGW-HNNXBMFYSA-N 1 0 399.276 1.642 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000418948826 531870468 /nfs/dbraw/zinc/87/04/68/531870468.db2.gz RAKWWROTCFMBKT-JQWIXIFHSA-N 1 0 386.265 1.790 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)[C@H]1C[NH3+] ZINC000418954714 531871819 /nfs/dbraw/zinc/87/18/19/531871819.db2.gz XLMPQBSCFUZKQB-HZMBPMFUSA-N 1 0 386.265 1.790 20 0 GDADRO CC(C)[NH2+]CCCNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000564958869 531871825 /nfs/dbraw/zinc/87/18/25/531871825.db2.gz MIDUPDGLODEREP-UHFFFAOYSA-N 1 0 378.292 1.214 20 0 GDADRO O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418952471 531871955 /nfs/dbraw/zinc/87/19/55/531871955.db2.gz VLKAPBODJVLKJK-LSDHHAIUSA-N 1 0 380.286 1.885 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C[C@H]1C[NH3+] ZINC000418951787 531872011 /nfs/dbraw/zinc/87/20/11/531872011.db2.gz XOCNANQEQXZYTK-AXAPSJFSSA-N 1 0 394.313 1.996 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418959514 531872514 /nfs/dbraw/zinc/87/25/14/531872514.db2.gz HHDYAFYFFFGSRU-GFCCVEGCSA-N 1 0 387.267 1.070 20 0 GDADRO OC[C@H](Cc1ccncc1)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000564975837 531873297 /nfs/dbraw/zinc/87/32/97/531873297.db2.gz QPMCHIOPVXYRKN-HOTGVXAUSA-N 1 0 381.270 1.777 20 0 GDADRO C[C@@H](CNS(=O)(=O)CCc1c(F)cccc1F)CN1CC[NH+](C)CC1 ZINC000625019054 531874161 /nfs/dbraw/zinc/87/41/61/531874161.db2.gz VASUZZICCJCJFK-AWEZNQCLSA-N 1 0 375.485 1.310 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)CC(F)(F)F)c1ccc(Cl)cc1F ZINC000565653270 531874862 /nfs/dbraw/zinc/87/48/62/531874862.db2.gz DHGHHUGYEHILMY-SECBINFHSA-N 1 0 378.775 1.660 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000418991770 531876867 /nfs/dbraw/zinc/87/68/67/531876867.db2.gz NBQRQFKXVIFFLD-TZMCWYRMSA-N 1 0 382.302 1.551 20 0 GDADRO CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000625042614 531877170 /nfs/dbraw/zinc/87/71/70/531877170.db2.gz CKSBYYMNZCXOQX-IAGOWNOFSA-N 1 0 390.546 1.740 20 0 GDADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cccnc2OCC(F)F)CCSC1 ZINC000625044984 531877316 /nfs/dbraw/zinc/87/73/16/531877316.db2.gz QRLYFHIMCDZNEP-AWEZNQCLSA-N 1 0 381.470 1.441 20 0 GDADRO CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000644045790 531877438 /nfs/dbraw/zinc/87/74/38/531877438.db2.gz GJJWOBLSDLWEII-AWEZNQCLSA-N 1 0 375.441 1.948 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000419010013 531878368 /nfs/dbraw/zinc/87/83/68/531878368.db2.gz OTOOOSGUFFVJQL-RYUDHWBXSA-N 1 0 398.301 1.703 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1Br ZINC000419004560 531878596 /nfs/dbraw/zinc/87/85/96/531878596.db2.gz FMHXPWLERFXXPV-ZYHUDNBSSA-N 1 0 384.274 1.503 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000419007434 531878812 /nfs/dbraw/zinc/87/88/12/531878812.db2.gz JUPWYMVXSDLXPB-COPLHBTASA-N 1 0 398.301 1.749 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCC[NH+](C)C ZINC000298339885 531879020 /nfs/dbraw/zinc/87/90/20/531879020.db2.gz XMRNMLNERBAIGK-CQSZACIVSA-N 1 0 391.534 1.294 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1Br ZINC000419002606 531879015 /nfs/dbraw/zinc/87/90/15/531879015.db2.gz CEXARDQUHLMXOS-SRVKXCTJSA-N 1 0 398.301 1.844 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000419002890 531879312 /nfs/dbraw/zinc/87/93/12/531879312.db2.gz ZRFPLUYZTNXRRY-FZMZJTMJSA-N 1 0 398.301 1.337 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000673581288 531880226 /nfs/dbraw/zinc/88/02/26/531880226.db2.gz XCKXFXGEUXUPDV-UHFFFAOYSA-N 1 0 385.427 1.747 20 0 GDADRO COc1ccc(Cl)cc1CS(=O)(=O)NCCC[N@H+](C)CCN(C)C ZINC000673580907 531880323 /nfs/dbraw/zinc/88/03/23/531880323.db2.gz RVASWAMKSUDXBU-UHFFFAOYSA-N 1 0 377.938 1.652 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[NH2+]CC2)cc1Br ZINC000419011047 531880599 /nfs/dbraw/zinc/88/05/99/531880599.db2.gz RJPQBBBVDUVKLT-LLVKDONJSA-N 1 0 384.274 1.457 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000566097311 531880836 /nfs/dbraw/zinc/88/08/36/531880836.db2.gz JZERQWSIHOAUKU-ZIAGYGMSSA-N 1 0 387.527 1.019 20 0 GDADRO C[C@H](CNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)[NH+](C)C ZINC000298375687 531881251 /nfs/dbraw/zinc/88/12/51/531881251.db2.gz WVDXOROCGWBILZ-LLVKDONJSA-N 1 0 396.285 1.892 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000673609639 531882113 /nfs/dbraw/zinc/88/21/13/531882113.db2.gz SGCSWFHJINSOCA-RISCZKNCSA-N 1 0 396.285 1.599 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000566244705 531882695 /nfs/dbraw/zinc/88/26/95/531882695.db2.gz XAUNPJGTKVAGRT-OAHLLOKOSA-N 1 0 385.295 1.462 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1Br ZINC000673782674 531882965 /nfs/dbraw/zinc/88/29/65/531882965.db2.gz DYKXTURYKOMDGT-CYBMUJFWSA-N 1 0 396.285 1.997 20 0 GDADRO CCN(CC(=O)NCCCN1CCCS1(=O)=O)Cc1ccccc1Cl ZINC000672837679 531869382 /nfs/dbraw/zinc/86/93/82/531869382.db2.gz VHUNTOBKGWITCF-UHFFFAOYSA-N 1 0 387.933 1.704 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000367832898 531869462 /nfs/dbraw/zinc/86/94/62/531869462.db2.gz PWXVDXUSIUUJLY-CQSZACIVSA-N 1 0 375.853 1.858 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCOc2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC000418944593 531869408 /nfs/dbraw/zinc/86/94/08/531869408.db2.gz IUJOYSHIKAHZPY-TXEJJXNPSA-N 1 0 384.274 1.153 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCOc1cccc(Br)c1)C1CCCC1 ZINC000418944267 531869607 /nfs/dbraw/zinc/86/96/07/531869607.db2.gz IGRAQIMYHSSOGW-OAHLLOKOSA-N 1 0 398.301 1.578 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000270441883 531869951 /nfs/dbraw/zinc/86/99/51/531869951.db2.gz RQROYWDWLIHUMJ-CYBMUJFWSA-N 1 0 393.289 1.005 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000643394634 531870341 /nfs/dbraw/zinc/87/03/41/531870341.db2.gz ZECDHKLNLKHQEC-OAHLLOKOSA-N 1 0 394.313 1.974 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2cc(C)ccc2Br)[C@H](C[NH3+])C1 ZINC000419049936 531891235 /nfs/dbraw/zinc/89/12/35/531891235.db2.gz BVQYDIQXVCMCDR-UONOGXRCSA-N 1 0 398.301 1.338 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419048923 531891365 /nfs/dbraw/zinc/89/13/65/531891365.db2.gz BUVDMTXQAZYUKJ-HNNXBMFYSA-N 1 0 394.313 1.922 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419050963 531891426 /nfs/dbraw/zinc/89/14/26/531891426.db2.gz FEZUMPSOEWIKBQ-ZIAGYGMSSA-N 1 0 382.302 1.836 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419051747 531892528 /nfs/dbraw/zinc/89/25/28/531892528.db2.gz GVLHHUNUHQAYKQ-OAHLLOKOSA-N 1 0 388.693 1.916 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)CC1 ZINC000270556060 531892867 /nfs/dbraw/zinc/89/28/67/531892867.db2.gz OCVKHHADARONMG-UHFFFAOYSA-N 1 0 386.949 1.914 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)[C@H]1SC ZINC000298478656 531893461 /nfs/dbraw/zinc/89/34/61/531893461.db2.gz PJDSGIUCUZIEEU-ZMSDIMECSA-N 1 0 388.555 1.298 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419054275 531893756 /nfs/dbraw/zinc/89/37/56/531893756.db2.gz LQAQLDICCGKOEB-GFCCVEGCSA-N 1 0 384.318 1.940 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000647269963 531893926 /nfs/dbraw/zinc/89/39/26/531893926.db2.gz HHQUCPVZBFKZOU-ZDUSSCGKSA-N 1 0 389.905 1.357 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1cc(Br)cs1 ZINC000283787820 531894811 /nfs/dbraw/zinc/89/48/11/531894811.db2.gz GGMWRWOHQUGVQZ-SNVBAGLBSA-N 1 0 376.320 1.973 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000419056323 531894866 /nfs/dbraw/zinc/89/48/66/531894866.db2.gz QOZHXWMVFZTVNS-NSHDSACASA-N 1 0 388.281 1.751 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000419056337 531895137 /nfs/dbraw/zinc/89/51/37/531895137.db2.gz QSHHZGYOOSHFDZ-TYNCELHUSA-N 1 0 382.302 1.753 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419057694 531895150 /nfs/dbraw/zinc/89/51/50/531895150.db2.gz VBTBHRJAPWGUFI-RTXFEEFZSA-N 1 0 398.276 1.313 20 0 GDADRO [NH3+][C@@H](CNC(=O)c1sc2c(c1I)CNC2)C1CC1 ZINC000595949664 531895949 /nfs/dbraw/zinc/89/59/49/531895949.db2.gz YPVVVFQOSRJDKT-QMMMGPOBSA-N 1 0 377.251 1.423 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C[C@H](C)[NH2+]1 ZINC000419063993 531896554 /nfs/dbraw/zinc/89/65/54/531896554.db2.gz HCZAMWYWESNMBX-AOOOYVTPSA-N 1 0 388.693 1.928 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1sc2c(c1I)CNC2 ZINC000595960006 531897116 /nfs/dbraw/zinc/89/71/16/531897116.db2.gz RMXGCECISMEATF-JGVFFNPUSA-N 1 0 391.278 1.908 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419074993 531897503 /nfs/dbraw/zinc/89/75/03/531897503.db2.gz FNEOJJOCYRHFFS-SWLSCSKDSA-N 1 0 394.313 1.711 20 0 GDADRO COC(=O)CC1([NH2+]CCc2nsc3ccccc23)CCS(=O)(=O)CC1 ZINC000595460100 531885644 /nfs/dbraw/zinc/88/56/44/531885644.db2.gz PFKFSZJXXRIQKX-UHFFFAOYSA-N 1 0 382.507 1.939 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@](C)(O)CSC)CC2)cc1 ZINC000368033538 531885872 /nfs/dbraw/zinc/88/58/72/531885872.db2.gz ANSZPYYSQWYXLS-QGZVFWFLSA-N 1 0 388.555 1.552 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419037579 531886006 /nfs/dbraw/zinc/88/60/06/531886006.db2.gz IPDQIBOCPZVZLM-SMDDNHRTSA-N 1 0 396.285 1.457 20 0 GDADRO CN(C)C(=O)CN1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000673986967 531887114 /nfs/dbraw/zinc/88/71/14/531887114.db2.gz YKSNPSCIASWUSX-UHFFFAOYSA-N 1 0 382.302 1.614 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419042409 531887585 /nfs/dbraw/zinc/88/75/85/531887585.db2.gz PCBMIZUIBWAMMP-UHIISALHSA-N 1 0 396.285 1.585 20 0 GDADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674048405 531888496 /nfs/dbraw/zinc/88/84/96/531888496.db2.gz NMRMBKFGPAPHCF-CQSZACIVSA-N 1 0 389.543 1.013 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)CC[NH2+]1 ZINC000419042961 531888668 /nfs/dbraw/zinc/88/86/68/531888668.db2.gz MQJZLFFRLLHFTD-SKDRFNHKSA-N 1 0 375.803 1.814 20 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ZINC000273748263 532168854 /nfs/dbraw/zinc/16/88/54/532168854.db2.gz MXOZPWXVXKKIGO-UHFFFAOYSA-N 1 0 396.241 1.394 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)CC2 ZINC000332180962 532168998 /nfs/dbraw/zinc/16/89/98/532168998.db2.gz SEOAYFFCUTYDHA-QWHCGFSZSA-N 1 0 394.313 1.838 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000286708216 532170082 /nfs/dbraw/zinc/17/00/82/532170082.db2.gz GQLIEHMTRRGHMF-SNVBAGLBSA-N 1 0 386.290 1.775 20 0 GDADRO COc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ncc1Br ZINC000286532436 532157647 /nfs/dbraw/zinc/15/76/47/532157647.db2.gz YPROJOYSSJDBQA-YOGCLGLASA-N 1 0 398.305 1.743 20 0 GDADRO Cn1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1Br ZINC000273633292 532160948 /nfs/dbraw/zinc/16/09/48/532160948.db2.gz QSIXIHLZMZFKEZ-KBPBESRZSA-N 1 0 385.306 1.680 20 0 GDADRO COc1ccc(OC)c(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000332080684 532162282 /nfs/dbraw/zinc/16/22/82/532162282.db2.gz KCJWPSOQVXNYTG-HOCLYGCPSA-N 1 0 386.539 1.904 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCc2sccc2C1 ZINC000332099173 532163889 /nfs/dbraw/zinc/16/38/89/532163889.db2.gz QQBIVNLTMFFQMJ-CABCVRRESA-N 1 0 385.555 1.473 20 0 GDADRO CC[N@H+](CCNC(=O)c1cc(S(=O)(=O)NC)cs1)CCC(F)(F)F ZINC000427224749 532178933 /nfs/dbraw/zinc/17/89/33/532178933.db2.gz STYZLFLUJCLXJZ-UHFFFAOYSA-N 1 0 387.449 1.660 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccc(Br)c3)CC2)C1=O ZINC000332334120 532181524 /nfs/dbraw/zinc/18/15/24/532181524.db2.gz TZPOVLUCDUPGGH-OAHLLOKOSA-N 1 0 380.286 1.874 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCC(n3cc(Br)cn3)CC2)[C@@H](C)C[NH2+]1 ZINC000332375894 532183254 /nfs/dbraw/zinc/18/32/54/532183254.db2.gz GGSVNZQARPFWJI-RYUDHWBXSA-N 1 0 398.305 1.018 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(Br)ccc3O)CC2)C1=O ZINC000332410281 532184659 /nfs/dbraw/zinc/18/46/59/532184659.db2.gz QVFSEGFNLLNJKT-CQSZACIVSA-N 1 0 396.285 1.580 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CCCO1 ZINC000332237237 532173619 /nfs/dbraw/zinc/17/36/19/532173619.db2.gz SAEAOBRORLUWLT-SNVBAGLBSA-N 1 0 383.695 1.841 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C[C@@H]1[NH+](C)C ZINC000273845518 532173746 /nfs/dbraw/zinc/17/37/46/532173746.db2.gz MQZGLZASHJFBQU-LSDHHAIUSA-N 1 0 389.518 1.880 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C[C@H]1C[NH3+] ZINC000332250726 532174683 /nfs/dbraw/zinc/17/46/83/532174683.db2.gz LQARLKLARIMYQL-CMPLNLGQSA-N 1 0 398.276 1.921 20 0 GDADRO CSC1(CNC(=O)c2cc(Cl)sc2S(N)(=O)=O)CC[NH+](C)CC1 ZINC000427143564 532177009 /nfs/dbraw/zinc/17/70/09/532177009.db2.gz NWKJNJXBTKKKNB-UHFFFAOYSA-N 1 0 397.975 1.606 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC2(Cl)Cl)c1 ZINC000274166161 532190886 /nfs/dbraw/zinc/19/08/86/532190886.db2.gz BETOLMRQCWCQAQ-GFCCVEGCSA-N 1 0 380.297 1.659 20 0 GDADRO CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c1C ZINC000427861171 532192776 /nfs/dbraw/zinc/19/27/76/532192776.db2.gz CJLVJGGVQPCDDL-INIZCTEOSA-N 1 0 389.543 1.524 20 0 GDADRO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000376031240 532192959 /nfs/dbraw/zinc/19/29/59/532192959.db2.gz HCDUINUOXUVJQD-YOEHRIQHSA-N 1 0 375.535 1.647 20 0 GDADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000332553431 532194074 /nfs/dbraw/zinc/19/40/74/532194074.db2.gz LCQWMRQOPCRPGT-QPUJVOFHSA-N 1 0 388.212 1.876 20 0 GDADRO Cc1nnc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)s1 ZINC000274281832 532201022 /nfs/dbraw/zinc/20/10/22/532201022.db2.gz YOVRKPHCKWGHMW-LLVKDONJSA-N 1 0 384.531 1.690 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000332549591 532194473 /nfs/dbraw/zinc/19/44/73/532194473.db2.gz IRNBJOLAUCKBEN-GZMMTYOYSA-N 1 0 388.212 1.876 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332562788 532195214 /nfs/dbraw/zinc/19/52/14/532195214.db2.gz RMMRFVAVGPTRNV-QWRGUYRKSA-N 1 0 399.232 1.298 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C[C@H](C)[NH2+]1 ZINC000332621528 532201058 /nfs/dbraw/zinc/20/10/58/532201058.db2.gz FBGBMESVRCDCCH-VNHYZAJKSA-N 1 0 394.313 1.974 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1CC[NH2+][C@@H](C)C1)CC2 ZINC000332598239 532198603 /nfs/dbraw/zinc/19/86/03/532198603.db2.gz LPOSKIOFRUMUNJ-LBPRGKRZSA-N 1 0 380.286 1.463 20 0 GDADRO C[NH+](C)[C@H](CNc1c(F)cc(S(N)(=O)=O)cc1Br)C1CC1 ZINC000428106633 532198726 /nfs/dbraw/zinc/19/87/26/532198726.db2.gz KIFMMKXOYBZQCE-GFCCVEGCSA-N 1 0 380.283 1.988 20 0 GDADRO C[C@H]1C[C@H](NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000332604049 532199427 /nfs/dbraw/zinc/19/94/27/532199427.db2.gz MJTFMFAXJCAUFP-NWDGAFQWSA-N 1 0 375.441 1.232 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)CC[NH2+]1 ZINC000332439162 532186470 /nfs/dbraw/zinc/18/64/70/532186470.db2.gz BJRTXMWPYTVNPS-BFQNTYOBSA-N 1 0 394.313 1.979 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)CC2 ZINC000332466729 532188112 /nfs/dbraw/zinc/18/81/12/532188112.db2.gz JDAMSFKANAYFEW-CQSZACIVSA-N 1 0 380.286 1.510 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)CC2 ZINC000332466726 532188413 /nfs/dbraw/zinc/18/84/13/532188413.db2.gz JDAMSFKANAYFEW-AWEZNQCLSA-N 1 0 380.286 1.510 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N3CC[NH2+][C@H](C)C3)C2=O)ccc1Br ZINC000332680177 532205149 /nfs/dbraw/zinc/20/51/49/532205149.db2.gz REWGNCCEDHIXAI-IUODEOHRSA-N 1 0 395.301 1.866 20 0 GDADRO [NH3+]C1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000332687488 532205677 /nfs/dbraw/zinc/20/56/77/532205677.db2.gz QGRPMAPZDCPPNF-AWEZNQCLSA-N 1 0 381.274 1.687 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C[C@H]1[NH+](C)C ZINC000332732630 532208553 /nfs/dbraw/zinc/20/85/53/532208553.db2.gz UXEYCTGYFATCFX-YPMHNXCESA-N 1 0 389.543 1.474 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376348747 532208660 /nfs/dbraw/zinc/20/86/60/532208660.db2.gz HBEWOYJGTDLCGZ-WFASDCNBSA-N 1 0 390.912 1.521 20 0 GDADRO C[C@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000274407535 532208717 /nfs/dbraw/zinc/20/87/17/532208717.db2.gz ICUOJEVXOCPVJA-SNVBAGLBSA-N 1 0 390.303 1.311 20 0 GDADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@@H](O)C[C@H]3CO)C2=O)ccc1Br ZINC000274456028 532211659 /nfs/dbraw/zinc/21/16/59/532211659.db2.gz GKACAVLCPPSWQO-DZKIICNBSA-N 1 0 383.286 1.680 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(OC)c(OC)cc1Br ZINC000274458396 532211893 /nfs/dbraw/zinc/21/18/93/532211893.db2.gz WWJIQMAVSAXPNA-UHFFFAOYSA-N 1 0 390.278 1.902 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000428605869 532212961 /nfs/dbraw/zinc/21/29/61/532212961.db2.gz IYCJRCJNBZZKHC-HOCLYGCPSA-N 1 0 385.555 1.284 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332944017 532213944 /nfs/dbraw/zinc/21/39/44/532213944.db2.gz ORERKADAZUHACK-LSDHHAIUSA-N 1 0 380.286 1.922 20 0 GDADRO CC(C)[C@@H](CO)[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000274335076 532203186 /nfs/dbraw/zinc/20/31/86/532203186.db2.gz RVFLQXPDTQDJJM-OAHLLOKOSA-N 1 0 391.921 1.525 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CSCCS2)c1 ZINC000274332911 532203529 /nfs/dbraw/zinc/20/35/29/532203529.db2.gz ZOCUFLRZXPAIKJ-CQSZACIVSA-N 1 0 389.568 1.314 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000332653016 532203578 /nfs/dbraw/zinc/20/35/78/532203578.db2.gz ZQTKTPOWLOTZOS-UONOGXRCSA-N 1 0 384.889 1.298 20 0 GDADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000332660468 532204490 /nfs/dbraw/zinc/20/44/90/532204490.db2.gz CNMDIBZZORWPJH-JHJVBQTASA-N 1 0 386.436 1.616 20 0 GDADRO COC(=O)c1ccccc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000274716015 532227946 /nfs/dbraw/zinc/22/79/46/532227946.db2.gz BRPUTPZCJBYESZ-HUUCEWRRSA-N 1 0 384.523 1.674 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000429436053 532228450 /nfs/dbraw/zinc/22/84/50/532228450.db2.gz VNOZJCSHAADWBE-LLVKDONJSA-N 1 0 396.326 1.941 20 0 GDADRO O=C(Nc1cnc(N2CCOCC2)c(Br)c1)N[C@H]1CCC[NH2+]C1 ZINC000333318969 532229702 /nfs/dbraw/zinc/22/97/02/532229702.db2.gz MRZGGDBXQFHFAP-NSHDSACASA-N 1 0 384.278 1.554 20 0 GDADRO O=C(Nc1cnc(N2CCOCC2)c(Br)c1)N[C@@H]1CCC[NH2+]C1 ZINC000333318966 532230056 /nfs/dbraw/zinc/23/00/56/532230056.db2.gz MRZGGDBXQFHFAP-LLVKDONJSA-N 1 0 384.278 1.554 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000274781859 532233548 /nfs/dbraw/zinc/23/35/48/532233548.db2.gz LKPBWVRICARRSY-WFASDCNBSA-N 1 0 386.279 1.784 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333422444 532233940 /nfs/dbraw/zinc/23/39/40/532233940.db2.gz SSVOQODIFBIHGR-CHWSQXEVSA-N 1 0 395.301 1.947 20 0 GDADRO Cc1cc(C(=O)N2CCO[C@H](C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000376941779 532235068 /nfs/dbraw/zinc/23/50/68/532235068.db2.gz SXUAQRYABLFKJQ-CQSZACIVSA-N 1 0 379.258 1.743 20 0 GDADRO C[C@H](CNC(=O)c1c(I)cnn1C)[N@@H+]1CCC[C@H](C)C1 ZINC000429835475 532235453 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CS[C@H]1CN(S(=O)(=O)c2c(C(F)F)c(C)nn2C)C[C@@H]1[NH+]1CCCC1 ZINC000333216615 532225499 /nfs/dbraw/zinc/22/54/99/532225499.db2.gz VRKCNXMCDAAPDB-RYUDHWBXSA-N 1 0 394.513 1.866 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000333217549 532225659 /nfs/dbraw/zinc/22/56/59/532225659.db2.gz QYSIUOPHKMWUHF-CWRNSKLLSA-N 1 0 386.543 1.045 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000429274946 532225832 /nfs/dbraw/zinc/22/58/32/532225832.db2.gz AYGXWJFOLPVGDA-OCCSQVGLSA-N 1 0 387.527 1.016 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c(C(=O)OC)s1 ZINC000274704383 532225818 /nfs/dbraw/zinc/22/58/18/532225818.db2.gz ZJNKMRZFLHRJLT-UHFFFAOYSA-N 1 0 390.483 1.036 20 0 GDADRO O=C(Nc1nc2c(s1)CSCC2)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000376708337 532226313 /nfs/dbraw/zinc/22/63/13/532226313.db2.gz AUXLRSRTDIEECH-LBPRGKRZSA-N 1 0 380.539 1.815 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000333634215 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ZINC000736909163 598872758 /nfs/dbraw/zinc/87/27/58/598872758.db2.gz ODFIBEDHVAWWEF-HNNXBMFYSA-N 1 0 384.440 1.470 20 0 GDADRO O=C(c1ccc(F)nc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738269967 598895242 /nfs/dbraw/zinc/89/52/42/598895242.db2.gz ZTAABXRAXZEWMC-UHFFFAOYSA-N 1 0 381.415 1.749 20 0 GDADRO CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736502134 598895733 /nfs/dbraw/zinc/89/57/33/598895733.db2.gz KNSBHPWAVODJKZ-PBHICJAKSA-N 1 0 399.499 1.186 20 0 GDADRO O[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000738383088 598937957 /nfs/dbraw/zinc/93/79/57/598937957.db2.gz OACOQFNEKNERPX-OAHLLOKOSA-N 1 0 385.859 1.746 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735537006 598944974 /nfs/dbraw/zinc/94/49/74/598944974.db2.gz LBMWYQMPLVQNNF-JKSUJKDBSA-N 1 0 399.499 1.063 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(-c3nn[nH]n3)cc2OC)C[C@H]1C ZINC000736565049 598952413 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COc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2=O)cc1 ZINC000737091067 599102133 /nfs/dbraw/zinc/10/21/33/599102133.db2.gz PCMIOKYUXAAYIM-GOSISDBHSA-N 1 0 378.436 1.766 20 0 GDADRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1nnc2ccccn21 ZINC000736136857 599104032 /nfs/dbraw/zinc/10/40/32/599104032.db2.gz UGSKKZONYDXVEW-SNVBAGLBSA-N 1 0 383.441 1.650 20 0 GDADRO COCc1nc(C)cc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000737022279 599120961 /nfs/dbraw/zinc/12/09/61/599120961.db2.gz PTEAJJAVDNCBBO-UHFFFAOYSA-N 1 0 394.483 1.824 20 0 GDADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736532341 599123990 /nfs/dbraw/zinc/12/39/90/599123990.db2.gz BBPSEIMJBILXGR-UHFFFAOYSA-N 1 0 378.502 1.609 20 0 GDADRO O=C1[C@H]([N@@H+]2CCCC3(CCOCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292353 599146523 /nfs/dbraw/zinc/14/65/23/599146523.db2.gz ZKFKVJTWBRISPD-QGZVFWFLSA-N 1 0 382.468 1.865 20 0 GDADRO CC(C)n1ccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC000820215593 599146948 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C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736226701 598266888 /nfs/dbraw/zinc/26/68/88/598266888.db2.gz XQLHHUGUIZPHRE-BETUJISGSA-N 1 0 393.517 1.297 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738051204 598272194 /nfs/dbraw/zinc/27/21/94/598272194.db2.gz KWDVOWPJLLTXQN-ZWKOTPCHSA-N 1 0 397.483 1.404 20 0 GDADRO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC000736590403 598301134 /nfs/dbraw/zinc/30/11/34/598301134.db2.gz HMJYCCGTOZRANV-HNNXBMFYSA-N 1 0 386.456 1.100 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735857260 598304793 /nfs/dbraw/zinc/30/47/93/598304793.db2.gz QVSXQCGNSMCJLD-UHFFFAOYSA-N 1 0 390.467 1.178 20 0 GDADRO Cc1cccc(N2CC[NH+](CCCCNc3nccnc3-c3nn[nH]n3)CC2)c1 ZINC000737400930 598342827 /nfs/dbraw/zinc/34/28/27/598342827.db2.gz UXSJIWVQITZDPB-UHFFFAOYSA-N 1 0 393.499 1.979 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000736860276 598353271 /nfs/dbraw/zinc/35/32/71/598353271.db2.gz NGUGQYJFBOBCPM-ZIAGYGMSSA-N 1 0 375.502 1.815 20 0 GDADRO Cc1nccn1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500068 598355834 /nfs/dbraw/zinc/35/58/34/598355834.db2.gz NJXWIFNMCIXPQF-IRXDYDNUSA-N 1 0 383.456 1.448 20 0 GDADRO Cc1ccc(N2CCC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000737353449 598364308 /nfs/dbraw/zinc/36/43/08/598364308.db2.gz WREHEGQYQSJFEZ-UHFFFAOYSA-N 1 0 394.483 1.946 20 0 GDADRO CN(C)c1cc2c(nn1)CC[N@H+](CCC(=O)Nc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000736774588 598364532 /nfs/dbraw/zinc/36/45/32/598364532.db2.gz VJBCIYQANALKJN-UHFFFAOYSA-N 1 0 393.455 1.110 20 0 GDADRO CC[C@H]1C[N@H+](CCn2cccn2)CCN1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000736406864 598366276 /nfs/dbraw/zinc/36/62/76/598366276.db2.gz MCFUIEMVPQANFW-KRWDZBQOSA-N 1 0 384.463 1.799 20 0 GDADRO Cc1nc(CN2CCC[C@H]([N@H+](C)CCOc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737477128 598367489 /nfs/dbraw/zinc/36/74/89/598367489.db2.gz KDZYNVAEUOWTQJ-INIZCTEOSA-N 1 0 398.471 1.533 20 0 GDADRO CN1C[C@H]([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1=O ZINC000736845837 598369739 /nfs/dbraw/zinc/36/97/39/598369739.db2.gz NVDSBJIFHHKAOM-QGZVFWFLSA-N 1 0 378.436 1.766 20 0 GDADRO O[C@H](C[NH2+]C[C@@H]1COc2ccccc2C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738380307 598372959 /nfs/dbraw/zinc/37/29/59/598372959.db2.gz FQEGZCRXQFEHOH-RHSMWYFYSA-N 1 0 381.436 1.447 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000736860217 598427338 /nfs/dbraw/zinc/42/73/38/598427338.db2.gz MPQCHXHHTGVXDF-CQSZACIVSA-N 1 0 377.443 1.751 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)CC1 ZINC000736860434 598427531 /nfs/dbraw/zinc/42/75/31/598427531.db2.gz QADACQBMIBJFFG-MRXNPFEDSA-N 1 0 382.516 1.357 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000737023230 598466153 /nfs/dbraw/zinc/46/61/53/598466153.db2.gz IVSQTVLZKGHMMQ-KBPBESRZSA-N 1 0 388.472 1.633 20 0 GDADRO O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738355322 598472663 /nfs/dbraw/zinc/47/26/63/598472663.db2.gz ORBYHIFQUBSMFQ-CYBMUJFWSA-N 1 0 394.476 1.645 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737006814 598496933 /nfs/dbraw/zinc/49/69/33/598496933.db2.gz JNSKYBLIPDREJX-GFCCVEGCSA-N 1 0 395.920 1.917 20 0 GDADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000735736018 598497570 /nfs/dbraw/zinc/49/75/70/598497570.db2.gz RHGIOPSPXMFZRP-QAPCUYQASA-N 1 0 384.484 1.871 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000737487847 598506007 /nfs/dbraw/zinc/50/60/07/598506007.db2.gz OAFQZEMXOPZXGS-CQSZACIVSA-N 1 0 397.487 1.011 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736458191 598508284 /nfs/dbraw/zinc/50/82/84/598508284.db2.gz WSPRVLIKGCRMCP-KRWDZBQOSA-N 1 0 392.529 1.941 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735857246 598508762 /nfs/dbraw/zinc/50/87/62/598508762.db2.gz QGXRDYSTOJRACT-UHFFFAOYSA-N 1 0 378.502 1.608 20 0 GDADRO COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737040782 598523111 /nfs/dbraw/zinc/52/31/11/598523111.db2.gz QGPKRMFRSRZVTQ-QWHCGFSZSA-N 1 0 398.471 1.781 20 0 GDADRO c1cnn(-c2ccc(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cc2)c1 ZINC000738447878 598523513 /nfs/dbraw/zinc/52/35/13/598523513.db2.gz JVAJNLLSXAQNMO-CQSZACIVSA-N 1 0 376.428 1.080 20 0 GDADRO c1cn(-c2ccccc2)nc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738425903 598526988 /nfs/dbraw/zinc/52/69/88/598526988.db2.gz PECVEYKGXFQMIG-CYBMUJFWSA-N 1 0 376.428 1.080 20 0 GDADRO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737089538 598527868 /nfs/dbraw/zinc/52/78/68/598527868.db2.gz XMPJLPUDRPVWHC-UKRRQHHQSA-N 1 0 382.472 1.724 20 0 GDADRO Fc1ccc([C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)[C@@H]2CCCO2)cc1 ZINC000737650256 598527996 /nfs/dbraw/zinc/52/79/96/598527996.db2.gz OFRFEHHRZBCQKF-ZLIFDBKOSA-N 1 0 398.446 1.754 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738048331 598537062 /nfs/dbraw/zinc/53/70/62/598537062.db2.gz FKOFWFJUDOAQSB-KDOFPFPSSA-N 1 0 381.484 1.436 20 0 GDADRO C[NH+](C)C[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CCO1 ZINC000736759433 598544410 /nfs/dbraw/zinc/54/44/10/598544410.db2.gz RAVHCLBJCZRVSB-JTQLQIEISA-N 1 0 391.838 1.974 20 0 GDADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000736179334 598557172 /nfs/dbraw/zinc/55/71/72/598557172.db2.gz CNPODGPMHMOCEG-LSDHHAIUSA-N 1 0 388.472 1.203 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000736565485 598562171 /nfs/dbraw/zinc/56/21/71/598562171.db2.gz KSZNIUKNSHAIKZ-JTQLQIEISA-N 1 0 381.387 1.931 20 0 GDADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH2+]C[C@H]3COCCO3)c2)c1 ZINC000738410383 598562789 /nfs/dbraw/zinc/56/27/89/598562789.db2.gz LNXVQNPJFSLXOI-SFHVURJKSA-N 1 0 381.436 1.951 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@H]1C1OCCO1)Nc1sccc1-c1nn[nH]n1 ZINC000737843910 598580965 /nfs/dbraw/zinc/58/09/65/598580965.db2.gz OTPASMDBPOCHSC-LBPRGKRZSA-N 1 0 378.458 1.484 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736266910 598594997 /nfs/dbraw/zinc/59/49/97/598594997.db2.gz KXZITGUDEUWOJW-QAPCUYQASA-N 1 0 383.500 1.826 20 0 GDADRO CC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736564695 598596595 /nfs/dbraw/zinc/59/65/95/598596595.db2.gz CNNJMIMPMQQXHN-SFHVURJKSA-N 1 0 383.500 1.684 20 0 GDADRO C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@@H+]2CCC[C@@H]2C2CCC2)C1=O ZINC000736225137 598600246 /nfs/dbraw/zinc/60/02/46/598600246.db2.gz WESRPDDHLWDEMF-OXQOHEQNSA-N 1 0 395.467 1.856 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000736860369 598618689 /nfs/dbraw/zinc/61/86/89/598618689.db2.gz OBBSIMPLSYJYPE-GOSISDBHSA-N 1 0 394.527 1.721 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737844808 598707039 /nfs/dbraw/zinc/70/70/39/598707039.db2.gz WMUWLEFVHGOZKN-QGZVFWFLSA-N 1 0 397.483 1.672 20 0 GDADRO C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N(C)Cc1ccccc1 ZINC000736025517 598712134 /nfs/dbraw/zinc/71/21/34/598712134.db2.gz LMELCRGCYFSHLW-HOCLYGCPSA-N 1 0 381.488 1.215 20 0 GDADRO CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736853692 598743605 /nfs/dbraw/zinc/74/36/05/598743605.db2.gz ZOHMSINNICSIKU-GOSISDBHSA-N 1 0 383.500 1.036 20 0 GDADRO CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)CCC(=O)OC ZINC000736534672 598760254 /nfs/dbraw/zinc/76/02/54/598760254.db2.gz NPCRROUQJLJSQS-UHFFFAOYSA-N 1 0 392.485 1.631 20 0 GDADRO CCn1cnnc1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736722500 598763748 /nfs/dbraw/zinc/76/37/48/598763748.db2.gz PINGPBZBLGBULA-HOTGVXAUSA-N 1 0 398.471 1.097 20 0 GDADRO C[NH+]1CCN(c2cc(C(=O)NCc3ccc(-c4nn[nH]n4)cc3F)ccn2)CC1 ZINC000736866058 598767955 /nfs/dbraw/zinc/76/79/55/598767955.db2.gz CENNXAGKCYDPJU-UHFFFAOYSA-N 1 0 396.430 1.083 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737843663 598775976 /nfs/dbraw/zinc/77/59/76/598775976.db2.gz MCGZCBBPVSGSLY-KRWDZBQOSA-N 1 0 397.483 1.672 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736859693 598783496 /nfs/dbraw/zinc/78/34/96/598783496.db2.gz HGBAJMOUCVNHJM-OAHLLOKOSA-N 1 0 385.472 1.514 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736846806 598784893 /nfs/dbraw/zinc/78/48/93/598784893.db2.gz CLJDYMJAXCZWNB-UHFFFAOYSA-N 1 0 391.863 1.259 20 0 GDADRO O=C(CC[N@@H+]1CCC2(C1)OCCO2)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737844358 598812029 /nfs/dbraw/zinc/81/20/29/598812029.db2.gz SRPBTUVTOLDHPP-UHFFFAOYSA-N 1 0 390.469 1.194 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)[NH+]1CCCCC1 ZINC000735691335 598815318 /nfs/dbraw/zinc/81/53/18/598815318.db2.gz OXFVCNMYCFVHQN-QGZVFWFLSA-N 1 0 398.515 1.421 20 0 GDADRO CC(=O)N1CCCN([C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)CC1 ZINC000735464496 599297842 /nfs/dbraw/zinc/29/78/42/599297842.db2.gz BHEMBFDHOHYDFO-KXBFYZLASA-N 1 0 383.500 1.241 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000736290532 599300965 /nfs/dbraw/zinc/30/09/65/599300965.db2.gz QQIJESRFUWVEND-XJKSGUPXSA-N 1 0 378.502 1.405 20 0 GDADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000736198288 599321412 /nfs/dbraw/zinc/32/14/12/599321412.db2.gz RXLNLARDXHXTQP-AWEZNQCLSA-N 1 0 377.452 1.849 20 0 GDADRO O[C@H]1CCC[C@H]1[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000738390730 599321610 /nfs/dbraw/zinc/32/16/10/599321610.db2.gz SEEJHWJIRUALNM-CABCVRRESA-N 1 0 382.390 1.921 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821159980 599330314 /nfs/dbraw/zinc/33/03/14/599330314.db2.gz FJAANLLOZRBKJY-OAHLLOKOSA-N 1 0 381.488 1.665 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)[C@@H](C)C1 ZINC000821254422 599346970 /nfs/dbraw/zinc/34/69/70/599346970.db2.gz LZRPTCPFYNVYSH-DZGCQCFKSA-N 1 0 378.502 1.526 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)[C@@H](C)C1 ZINC000821253099 599347656 /nfs/dbraw/zinc/34/76/56/599347656.db2.gz CPHMCYIUKNJIHS-ZFWWWQNUSA-N 1 0 378.502 1.526 20 0 GDADRO CCN(CC)C(=O)C1([NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CCCCC1 ZINC000736523827 599354514 /nfs/dbraw/zinc/35/45/14/599354514.db2.gz RNOPQKQBBRPJIZ-UHFFFAOYSA-N 1 0 399.499 1.966 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821243175 599356621 /nfs/dbraw/zinc/35/66/21/599356621.db2.gz ZSVOKBUFZYZMTG-UHFFFAOYSA-N 1 0 382.465 1.406 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821182262 599375153 /nfs/dbraw/zinc/37/51/53/599375153.db2.gz TVRHEQQHLPEZLK-NSHDSACASA-N 1 0 384.893 1.625 20 0 GDADRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821872106 599383163 /nfs/dbraw/zinc/38/31/63/599383163.db2.gz IWIRZVGWXYIANY-SJKOYZFVSA-N 1 0 382.424 1.459 20 0 GDADRO COc1ccc(O[C@H](C)C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821837916 599385738 /nfs/dbraw/zinc/38/57/38/599385738.db2.gz HVCMILISYYDQEG-SJKOYZFVSA-N 1 0 382.424 1.459 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820410082 599391344 /nfs/dbraw/zinc/39/13/44/599391344.db2.gz CTOAGDYWPWSBNX-KGLIPLIRSA-N 1 0 393.451 1.932 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000821808299 599420526 /nfs/dbraw/zinc/42/05/26/599420526.db2.gz CPBNJXFFGBJKHD-QGZVFWFLSA-N 1 0 378.436 1.766 20 0 GDADRO C[C@@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000820711254 599439509 /nfs/dbraw/zinc/43/95/09/599439509.db2.gz VQHJRRZOORGGAW-OLZOCXBDSA-N 1 0 375.452 1.925 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821687900 599444343 /nfs/dbraw/zinc/44/43/43/599444343.db2.gz UWRSYUAUEOXTOI-CQSZACIVSA-N 1 0 387.488 1.728 20 0 GDADRO C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736113879 599453307 /nfs/dbraw/zinc/45/33/07/599453307.db2.gz SFVLROGRERIKQZ-GJZGRUSLSA-N 1 0 399.499 1.728 20 0 GDADRO C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1cccc(Cl)c1 ZINC000820273963 599453876 /nfs/dbraw/zinc/45/38/76/599453876.db2.gz AVMKVMFGVRLIPH-NEPJUHHUSA-N 1 0 388.863 1.815 20 0 GDADRO Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)cc1 ZINC000822241424 599455206 /nfs/dbraw/zinc/45/52/06/599455206.db2.gz VQZSMPRWSYHBHF-CVEARBPZSA-N 1 0 393.499 1.672 20 0 GDADRO COc1cccc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1OC ZINC000737131432 599484833 /nfs/dbraw/zinc/48/48/33/599484833.db2.gz PIKJEUQOECVMHF-UHFFFAOYSA-N 1 0 379.424 1.864 20 0 GDADRO O=C(C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)N1CCCc2ccccc21 ZINC000737896144 599487379 /nfs/dbraw/zinc/48/73/79/599487379.db2.gz WSXMHMRBMGOMOD-UHFFFAOYSA-N 1 0 388.435 1.583 20 0 GDADRO O=C(NCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1c(F)cccc1F ZINC000738074163 599491809 /nfs/dbraw/zinc/49/18/09/599491809.db2.gz HIYUTSPXZIVOSM-UHFFFAOYSA-N 1 0 398.377 1.312 20 0 GDADRO COC[C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736972100 599506011 /nfs/dbraw/zinc/50/60/11/599506011.db2.gz WEOYCVWQQPNFBM-CQSZACIVSA-N 1 0 375.477 1.222 20 0 GDADRO C[NH+](C)CCOc1ccccc1N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736770591 599536558 /nfs/dbraw/zinc/53/65/58/599536558.db2.gz BAMQSBPFMZWEMH-UHFFFAOYSA-N 1 0 394.483 1.529 20 0 GDADRO CC(C)OC(=O)CC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000820142044 599569438 /nfs/dbraw/zinc/56/94/38/599569438.db2.gz DRJGDPHYMGYADU-UHFFFAOYSA-N 1 0 395.467 1.879 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738389012 599590344 /nfs/dbraw/zinc/59/03/44/599590344.db2.gz VHOMDHSVCZBJKY-ZWKOTPCHSA-N 1 0 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O=S(=O)(CC[NH2+]CCc1c[nH]c2ccccc12)c1cccc(-c2nn[nH]n2)c1 ZINC000826485664 607814240 /nfs/dbraw/zinc/81/42/40/607814240.db2.gz ZXVVAZHHIJNZDR-UHFFFAOYSA-N 1 0 396.476 1.954 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485552 607815968 /nfs/dbraw/zinc/81/59/68/607815968.db2.gz VFUBYOAHNSBVFC-MRXNPFEDSA-N 1 0 391.428 1.103 20 0 GDADRO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000825937401 607830643 /nfs/dbraw/zinc/83/06/43/607830643.db2.gz CGWWIYKGMRPJDC-UHFFFAOYSA-N 1 0 380.383 1.734 20 0 GDADRO CC[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H]1C ZINC000825458688 607831735 /nfs/dbraw/zinc/83/17/35/607831735.db2.gz DGCYKMMUFFRCQU-LBPRGKRZSA-N 1 0 389.529 1.772 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000826156185 607835110 /nfs/dbraw/zinc/83/51/10/607835110.db2.gz SLJLYQARQZTDME-UHFFFAOYSA-N 1 0 387.271 1.872 20 0 GDADRO COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000530378434 649971724 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FYZNTINZMGBIMR-ZWKOTPCHSA-N 1 0 382.468 1.614 20 0 GDADRO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826434201 608534954 /nfs/dbraw/zinc/53/49/54/608534954.db2.gz GAQMAPSUGODTOE-OAHLLOKOSA-N 1 0 380.456 1.253 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000826525840 608685643 /nfs/dbraw/zinc/68/56/43/608685643.db2.gz AZLABFGSFBXRMI-UHFFFAOYSA-N 1 0 376.428 1.381 20 0 GDADRO OCCC[N@H+](CCO)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826510122 608695878 /nfs/dbraw/zinc/69/58/78/608695878.db2.gz YTVNFWFYKBYHOR-UHFFFAOYSA-N 1 0 383.452 1.622 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCOc1ccc(F)cc1Cl ZINC000825934365 608802293 /nfs/dbraw/zinc/80/22/93/608802293.db2.gz ONGQOCQXJWMXSI-UHFFFAOYSA-N 1 0 394.842 1.908 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000825326396 608812082 /nfs/dbraw/zinc/81/20/82/608812082.db2.gz DALCTLAFAXRJQQ-INIZCTEOSA-N 1 0 380.456 1.747 20 0 GDADRO CCC[C@@H]1CN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[N@@H+]1CCOC ZINC000825258424 608830182 /nfs/dbraw/zinc/83/01/82/608830182.db2.gz CVALZHQAMNMGRO-MRXNPFEDSA-N 1 0 384.488 1.447 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000825001359 608833982 /nfs/dbraw/zinc/83/39/82/608833982.db2.gz ZTHFSQUPUMVJGJ-CQSZACIVSA-N 1 0 387.451 1.916 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cncc2ccccc21 ZINC000824998971 608837654 /nfs/dbraw/zinc/83/76/54/608837654.db2.gz BCNYRGFCTDMETF-CQSZACIVSA-N 1 0 387.451 1.916 20 0 GDADRO CCc1ccc([C@H](CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[NH+](C)C)cc1 ZINC000825704211 609187918 /nfs/dbraw/zinc/18/79/18/609187918.db2.gz DNTAEHOKHAGKRR-OALUTQOASA-N 1 0 394.479 1.882 20 0 GDADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826433889 609188193 /nfs/dbraw/zinc/18/81/93/609188193.db2.gz UZEXLKLNYMTARR-DOTOQJQBSA-N 1 0 398.492 1.915 20 0 GDADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826442348 609212590 /nfs/dbraw/zinc/21/25/90/609212590.db2.gz RSORHJGHCWCMCP-UHFFFAOYSA-N 1 0 381.440 1.599 20 0 GDADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826021645 609230301 /nfs/dbraw/zinc/23/03/01/609230301.db2.gz BLNKCXOYQXMMML-SFHVURJKSA-N 1 0 396.451 1.616 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824579198 609241713 /nfs/dbraw/zinc/24/17/13/609241713.db2.gz YOMYEXLUNBPFGP-GLUANWCPSA-N 1 0 387.419 1.377 20 0 GDADRO CC[N@@H+]1CC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000825453718 609242423 /nfs/dbraw/zinc/24/24/23/609242423.db2.gz WNCVPQICIJXALP-RDTXWAMCSA-N 1 0 385.516 1.970 20 0 GDADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826160329 609248939 /nfs/dbraw/zinc/24/89/39/609248939.db2.gz OLVFMIMQNOJNME-BEFAXECRSA-N 1 0 394.479 1.891 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824413700 609261200 /nfs/dbraw/zinc/26/12/00/609261200.db2.gz OMCXAUXKKINJFM-KBXCAEBGSA-N 1 0 380.452 1.537 20 0 GDADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826431314 609292474 /nfs/dbraw/zinc/29/24/74/609292474.db2.gz XZXPJSUKZUFMME-GFCCVEGCSA-N 1 0 390.875 1.751 20 0 GDADRO Cc1noc(C2(C)CC[NH+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826339857 609297935 /nfs/dbraw/zinc/29/79/35/609297935.db2.gz XFSOFTAXJQAHLE-OAHLLOKOSA-N 1 0 399.455 1.352 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)CC2)c1 ZINC000826221107 609300010 /nfs/dbraw/zinc/30/00/10/609300010.db2.gz PJIPXNZDKQBTHW-UHFFFAOYSA-N 1 0 399.842 1.886 20 0 GDADRO C[C@@H](NC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)C1=CC[N@H+](C)CC1 ZINC000824487825 609316023 /nfs/dbraw/zinc/31/60/23/609316023.db2.gz CQARCGAWBNANSJ-KDOFPFPSSA-N 1 0 397.483 1.600 20 0 GDADRO Cn1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361359 609337786 /nfs/dbraw/zinc/33/77/86/609337786.db2.gz UKDHWJAXMININO-ZWKOTPCHSA-N 1 0 378.484 1.984 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360978 609340214 /nfs/dbraw/zinc/34/02/14/609340214.db2.gz FQNNYGQQDVFOOG-INIZCTEOSA-N 1 0 375.440 1.637 20 0 GDADRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000826391021 609359979 /nfs/dbraw/zinc/35/99/79/609359979.db2.gz UKKRQMBBSAIWKK-GFCCVEGCSA-N 1 0 379.262 1.859 20 0 GDADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000826422064 609419467 /nfs/dbraw/zinc/41/94/67/609419467.db2.gz LDPUMPSOOGSGAC-LJQANCHMSA-N 1 0 392.463 1.292 20 0 GDADRO O=C1[C@@H]([NH2+][C@@H](CO)c2ccccc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476332 609423673 /nfs/dbraw/zinc/42/36/73/609423673.db2.gz FUYJYTPMVDBQPO-ROUUACIJSA-N 1 0 378.436 1.685 20 0 GDADRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826411153 609497729 /nfs/dbraw/zinc/49/77/29/609497729.db2.gz NARFJBJIJSUXQC-UHFFFAOYSA-N 1 0 398.858 1.676 20 0 GDADRO CC(C)(C)[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000824844188 609501716 /nfs/dbraw/zinc/50/17/16/609501716.db2.gz RUWNHQPOBRKQAE-FOIQADDNSA-N 1 0 397.483 1.959 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)C[NH+]1CCCCC1 ZINC000824426204 609540247 /nfs/dbraw/zinc/54/02/47/609540247.db2.gz BSAWUVVQSKFNLJ-LBPRGKRZSA-N 1 0 398.920 1.920 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826033756 609545958 /nfs/dbraw/zinc/54/59/58/609545958.db2.gz JHWLWOGOTAVAJR-ZIAGYGMSSA-N 1 0 396.904 1.767 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826029078 609547307 /nfs/dbraw/zinc/54/73/07/609547307.db2.gz NZLBHBSANRWOAM-NSHDSACASA-N 1 0 384.893 1.482 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3Cl)CC[C@@H]21 ZINC000826033537 609558283 /nfs/dbraw/zinc/55/82/83/609558283.db2.gz GINQDCGFDKLTAI-OCCSQVGLSA-N 1 0 396.904 1.625 20 0 GDADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000826029570 609567878 /nfs/dbraw/zinc/56/78/78/609567878.db2.gz UDZZYQAQWPABNH-UHFFFAOYSA-N 1 0 396.904 1.769 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259537 609574969 /nfs/dbraw/zinc/57/49/69/609574969.db2.gz VOSLWOGHNAIZNX-UGSOOPFHSA-N 1 0 394.483 1.819 20 0 GDADRO COc1cc(C[NH2+]C[C@@](C)(O)CN2CCOCC2)cc(Br)c1O ZINC000531094535 649986975 /nfs/dbraw/zinc/98/69/75/649986975.db2.gz CCKBSSAEYRXMNZ-MRXNPFEDSA-N 1 0 389.290 1.336 20 0 GDADRO CN(C)S(=O)(=O)c1c[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000531465495 649992178 /nfs/dbraw/zinc/99/21/78/649992178.db2.gz JUVWKHIEACMGKJ-UHFFFAOYSA-N 1 0 384.527 1.531 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000531724586 649995508 /nfs/dbraw/zinc/99/55/08/649995508.db2.gz GDEFYBJIMGXOIC-SMDDNHRTSA-N 1 0 381.278 1.553 20 0 GDADRO COC[C@H](CC(C)C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000531940967 650002389 /nfs/dbraw/zinc/00/23/89/650002389.db2.gz IVRXNSHHGPKNER-AWEZNQCLSA-N 1 0 376.544 1.920 20 0 GDADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532540970 650026955 /nfs/dbraw/zinc/02/69/55/650026955.db2.gz WVQCWROGIDSRGV-MNOVXSKESA-N 1 0 379.258 1.543 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)s1 ZINC000533376753 650050184 /nfs/dbraw/zinc/05/01/84/650050184.db2.gz OWGLBDXLCSMUMS-HNNXBMFYSA-N 1 0 385.555 1.858 20 0 GDADRO O=S(=O)(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cncc(Cl)c1 ZINC000533632649 650211286 /nfs/dbraw/zinc/21/12/86/650211286.db2.gz LHAMIAYEGVJCJB-KRWDZBQOSA-N 1 0 381.885 1.650 20 0 GDADRO C[N@H+](CC(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1)[C@H]1CCSC1 ZINC000535019489 650238234 /nfs/dbraw/zinc/23/82/34/650238234.db2.gz CNYUWKNNTVRAEA-HNNXBMFYSA-N 1 0 383.539 1.232 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N(C)CC[NH+](C)C)c1 ZINC000535246675 650244353 /nfs/dbraw/zinc/24/43/53/650244353.db2.gz LWPHTKAPOZLLEF-UHFFFAOYSA-N 1 0 393.303 1.808 20 0 GDADRO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSCC[NH+](C)C ZINC000535255484 650245027 /nfs/dbraw/zinc/24/50/27/650245027.db2.gz PCRMYEUVQRAHGT-UHFFFAOYSA-N 1 0 388.559 1.236 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCN(C)S(=O)(=O)c2cccs2)C[C@@H]1C ZINC000535736226 650254833 /nfs/dbraw/zinc/25/48/33/650254833.db2.gz UQVAMYYPHGCVAN-KBPBESRZSA-N 1 0 388.559 1.493 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000536014853 650263303 /nfs/dbraw/zinc/26/33/03/650263303.db2.gz AUJKQCZXYLPBDE-CQSZACIVSA-N 1 0 381.523 1.607 20 0 GDADRO CSCC[C@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000536847551 650281996 /nfs/dbraw/zinc/28/19/96/650281996.db2.gz TZZAHWFLMNMHPJ-GOEBONIOSA-N 1 0 388.555 1.472 20 0 GDADRO COCCCOCC[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000536884834 650282260 /nfs/dbraw/zinc/28/22/60/650282260.db2.gz HNCZYMAMRPXNRS-UHFFFAOYSA-N 1 0 384.274 1.942 20 0 GDADRO C[NH+]1CCC(NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000537400246 650291390 /nfs/dbraw/zinc/29/13/90/650291390.db2.gz PGUPLINIIMVOML-UHFFFAOYSA-N 1 0 388.921 1.402 20 0 GDADRO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000537948641 650302464 /nfs/dbraw/zinc/30/24/64/650302464.db2.gz VTPDBSGTLGFLDU-CQSZACIVSA-N 1 0 388.555 1.802 20 0 GDADRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1(C)C ZINC000538398097 650309446 /nfs/dbraw/zinc/30/94/46/650309446.db2.gz JXJNYZZGPZVWDM-UHOFOFEASA-N 1 0 388.555 1.918 20 0 GDADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)S(=O)(=O)N1CC[C@H](C)C1 ZINC000538677557 650317629 /nfs/dbraw/zinc/31/76/29/650317629.db2.gz GQPIMYIXWDMTFL-HOTGVXAUSA-N 1 0 375.535 1.313 20 0 GDADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)S(=O)(=O)N1CC[C@@H](C)C1 ZINC000538677556 650317683 /nfs/dbraw/zinc/31/76/83/650317683.db2.gz GQPIMYIXWDMTFL-CVEARBPZSA-N 1 0 375.535 1.313 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000538821994 650323230 /nfs/dbraw/zinc/32/32/30/650323230.db2.gz PKZSWQUQCKKDLE-ZDUSSCGKSA-N 1 0 390.311 1.932 20 0 GDADRO COCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000539165952 650329376 /nfs/dbraw/zinc/32/93/76/650329376.db2.gz KAGZLEJRMCMTTJ-INIZCTEOSA-N 1 0 377.551 1.340 20 0 GDADRO CS[C@H]1CN(CC(=O)Nc2nc(CN3CCCC3)cs2)C[C@@H]1[NH+](C)C ZINC000539492630 650335764 /nfs/dbraw/zinc/33/57/64/650335764.db2.gz FVZDLBYVGDYWIW-GJZGRUSLSA-N 1 0 383.587 1.655 20 0 GDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000540052854 650348067 /nfs/dbraw/zinc/34/80/67/650348067.db2.gz LNNAMQFCMQJMRK-CHWSQXEVSA-N 1 0 397.317 1.528 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000542658332 650408990 /nfs/dbraw/zinc/40/89/90/650408990.db2.gz HTLGMSHVMSRUKF-UHFFFAOYSA-N 1 0 387.278 1.257 20 0 GDADRO O=C(N[C@H](CCO)c1ccccc1Br)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000543839652 650430439 /nfs/dbraw/zinc/43/04/39/650430439.db2.gz ZTVRUAQWPNIETI-CVEARBPZSA-N 1 0 382.302 1.379 20 0 GDADRO COc1cc(Br)ccc1CCC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000543961286 650432714 /nfs/dbraw/zinc/43/27/14/650432714.db2.gz HPHBGCSNZIGQCM-OAHLLOKOSA-N 1 0 384.318 1.752 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(I)ccc2F)C1 ZINC000545861143 650462518 /nfs/dbraw/zinc/46/25/18/650462518.db2.gz KPMYISJVWJNJIT-ZDUSSCGKSA-N 1 0 378.185 1.227 20 0 GDADRO Cc1sc2nc(C)nc(SCC(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2c1C ZINC000545862673 650462824 /nfs/dbraw/zinc/46/28/24/650462824.db2.gz RMNDRPQAIRVXGX-QGZVFWFLSA-N 1 0 380.539 1.891 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNc2ncnc3cccc(I)c32)C1 ZINC000545869926 650463236 /nfs/dbraw/zinc/46/32/36/650463236.db2.gz GJTAPIWRGNNDHL-AWEZNQCLSA-N 1 0 384.221 1.713 20 0 GDADRO CCn1c(SCC(=O)NC[C@@]2(O)CC[N@H+](C)C2)nnc1-c1cccs1 ZINC000545882341 650464204 /nfs/dbraw/zinc/46/42/04/650464204.db2.gz OAUMBPVLIQDUCQ-INIZCTEOSA-N 1 0 381.527 1.301 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)c1ccc(I)c(O)c1 ZINC000546201175 650474423 /nfs/dbraw/zinc/47/44/23/650474423.db2.gz UUGHJYLZYSMJPO-UHFFFAOYSA-N 1 0 383.189 1.656 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000546570192 650479232 /nfs/dbraw/zinc/47/92/32/650479232.db2.gz WAKBOWNUDNGRFC-QGZVFWFLSA-N 1 0 381.885 1.467 20 0 GDADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000547276340 650493382 /nfs/dbraw/zinc/49/33/82/650493382.db2.gz YZLXHCUFCHJKAW-MAUKXSAKSA-N 1 0 399.329 1.827 20 0 GDADRO C[N@H+](CCNC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)C1CC1 ZINC000547620981 650509768 /nfs/dbraw/zinc/50/97/68/650509768.db2.gz MLEAFEOVLIYDHD-UHFFFAOYSA-N 1 0 378.424 1.483 20 0 GDADRO CS[C@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)C[C@H]1[NH+]1CCCC1 ZINC000548516680 650547644 /nfs/dbraw/zinc/54/76/44/650547644.db2.gz PCHHNMZCYXFRIN-CVEARBPZSA-N 1 0 389.587 1.230 20 0 GDADRO CS[C@@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)C[C@@H]1[NH+]1CCCC1 ZINC000548516690 650547689 /nfs/dbraw/zinc/54/76/89/650547689.db2.gz PCHHNMZCYXFRIN-JKSUJKDBSA-N 1 0 389.587 1.230 20 0 GDADRO C[C@H](COC1CCCC1)CS(=O)(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000549776308 650582758 /nfs/dbraw/zinc/58/27/58/650582758.db2.gz XDQQJEGVEXGPOA-MRXNPFEDSA-N 1 0 376.563 1.954 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000549939983 650585834 /nfs/dbraw/zinc/58/58/34/650585834.db2.gz DEGGTZOUXBTACD-ZDUSSCGKSA-N 1 0 384.318 1.954 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000550827402 650597202 /nfs/dbraw/zinc/59/72/02/650597202.db2.gz OCFIAHALURMUFZ-AWEZNQCLSA-N 1 0 376.544 1.755 20 0 GDADRO CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551015460 650599713 /nfs/dbraw/zinc/59/97/13/650599713.db2.gz RFSPNVBXLHNLAF-JHJVBQTASA-N 1 0 384.464 1.788 20 0 GDADRO CN(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000551017267 650599772 /nfs/dbraw/zinc/59/97/72/650599772.db2.gz GMRCGXYRCADQKW-UHFFFAOYSA-N 1 0 382.507 1.977 20 0 GDADRO CC[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C(=O)N1CCOCC1 ZINC000551314416 650603873 /nfs/dbraw/zinc/60/38/73/650603873.db2.gz BJOWRRZLOBLVFX-GXTWGEPZSA-N 1 0 386.290 1.226 20 0 GDADRO CCC[C@@H](C(=O)NCCNS(=O)(=O)c1ccc(F)c(Cl)c1)[NH+](C)C ZINC000552052318 650618398 /nfs/dbraw/zinc/61/83/98/650618398.db2.gz MODBXASFTHYCNV-AWEZNQCLSA-N 1 0 379.885 1.604 20 0 GDADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552155288 650621574 /nfs/dbraw/zinc/62/15/74/650621574.db2.gz OSEYFMUKILGIRR-XDTLVQLUSA-N 1 0 375.238 1.489 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(I)cnn1C ZINC000552528136 650628747 /nfs/dbraw/zinc/62/87/47/650628747.db2.gz RQMREVDXGYHJSR-JTQLQIEISA-N 1 0 378.258 1.875 20 0 GDADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000552921234 650634846 /nfs/dbraw/zinc/63/48/46/650634846.db2.gz GSYWWHFLXIIRCJ-CQSZACIVSA-N 1 0 388.555 1.802 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000553942769 650664524 /nfs/dbraw/zinc/66/45/24/650664524.db2.gz CAACWADIDIBPJW-CABCVRRESA-N 1 0 375.535 1.094 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000554183428 650670366 /nfs/dbraw/zinc/67/03/66/650670366.db2.gz CONVVEBSDMIHKD-ZDUSSCGKSA-N 1 0 397.317 1.164 20 0 GDADRO Cc1ccc([C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000554849602 650682402 /nfs/dbraw/zinc/68/24/02/650682402.db2.gz ZUDQXXNVSHPNPB-HLLBOEOZSA-N 1 0 388.555 1.340 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000555230088 650687609 /nfs/dbraw/zinc/68/76/09/650687609.db2.gz UUIGSNPGOAGITR-AWEZNQCLSA-N 1 0 382.873 1.415 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000555674353 650694546 /nfs/dbraw/zinc/69/45/46/650694546.db2.gz AYPVNKSCOLERTI-UHFFFAOYSA-N 1 0 382.302 1.926 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000556075918 650699184 /nfs/dbraw/zinc/69/91/84/650699184.db2.gz HOJIHJJFZMFBDB-SWLSCSKDSA-N 1 0 377.432 1.938 20 0 GDADRO CN(CC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000556262006 650701146 /nfs/dbraw/zinc/70/11/46/650701146.db2.gz SZPCHFXZQRMKEI-HOCLYGCPSA-N 1 0 392.518 1.392 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(I)cnn2C)C[C@@H]1C ZINC000556305801 650701925 /nfs/dbraw/zinc/70/19/25/650701925.db2.gz AZOFZFBEKWITMF-QWRGUYRKSA-N 1 0 390.269 1.970 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C2CCC(O)CC2)c1 ZINC000556898737 650714396 /nfs/dbraw/zinc/71/43/96/650714396.db2.gz LOGFBPJLRYGNKL-UHFFFAOYSA-N 1 0 391.331 1.929 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2ncc(Br)cc2Br)C[C@@H]1O ZINC000556976556 650715347 /nfs/dbraw/zinc/71/53/47/650715347.db2.gz BKCNZNHMZLICTR-UWVGGRQHSA-N 1 0 393.079 1.354 20 0 GDADRO COc1ccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1Br ZINC000563954060 650744618 /nfs/dbraw/zinc/74/46/18/650744618.db2.gz HWEQATHCEIBNMW-LBPRGKRZSA-N 1 0 394.273 1.731 20 0 GDADRO CN1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)[C@@H](C[NH3+])C1 ZINC000564425940 650757775 /nfs/dbraw/zinc/75/77/75/650757775.db2.gz GMVGQBRAYDSCQC-ZDUSSCGKSA-N 1 0 393.289 1.741 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000564698598 650764806 /nfs/dbraw/zinc/76/48/06/650764806.db2.gz YCDCPCDYISMKDJ-CABCVRRESA-N 1 0 377.865 1.838 20 0 GDADRO CN(CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000564654739 650763924 /nfs/dbraw/zinc/76/39/24/650763924.db2.gz CVWJQHYSDGFVRL-QWRGUYRKSA-N 1 0 377.919 1.232 20 0 GDADRO O=C(Cc1ccc(Br)cc1)Cn1cnc2c(c1=O)CC[NH2+]CC2 ZINC000564930095 650773248 /nfs/dbraw/zinc/77/32/48/650773248.db2.gz SDMNFXXIXQLTNB-UHFFFAOYSA-N 1 0 376.254 1.506 20 0 GDADRO CCOC(=O)c1sc2ncc(S(=O)(=O)NCC3([NH3+])CCC3)cc2c1C ZINC000564797221 650768003 /nfs/dbraw/zinc/76/80/03/650768003.db2.gz FRNOXEVJNGMXRH-UHFFFAOYSA-N 1 0 383.495 1.941 20 0 GDADRO COCCN(Cc1sccc1Br)C(=O)CCOC1C[NH2+]C1 ZINC000564837826 650769366 /nfs/dbraw/zinc/76/93/66/650769366.db2.gz YHFJTQCUSWPHAS-UHFFFAOYSA-N 1 0 377.304 1.864 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000564980406 650774919 /nfs/dbraw/zinc/77/49/19/650774919.db2.gz RPQWDVKMBMASSP-QWRGUYRKSA-N 1 0 395.301 1.831 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCOc3cccc(Cl)c3Cl)CCN2C1=O ZINC000565252992 650789722 /nfs/dbraw/zinc/78/97/22/650789722.db2.gz GPRZSXRSIQHWBT-ZYHUDNBSSA-N 1 0 387.267 1.326 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000565421292 650795878 /nfs/dbraw/zinc/79/58/78/650795878.db2.gz VRACXLNKLKKVBD-IONNQARKSA-N 1 0 396.257 1.742 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000565892350 650819566 /nfs/dbraw/zinc/81/95/66/650819566.db2.gz CZMKZBXNMXNSSQ-WDEREUQCSA-N 1 0 375.288 1.432 20 0 GDADRO O=C(CCCS(=O)(=O)c1cccc(Br)c1)N[C@H]1CCC[NH2+]C1 ZINC000565891217 650819608 /nfs/dbraw/zinc/81/96/08/650819608.db2.gz RLADELWIZBSRQL-ZDUSSCGKSA-N 1 0 389.315 1.871 20 0 GDADRO O=S(=O)(CC[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(F)cc1 ZINC000566112723 650827669 /nfs/dbraw/zinc/82/76/69/650827669.db2.gz RHMRCTYSBUMLIF-UHFFFAOYSA-N 1 0 390.502 1.146 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@H](O)COCc2ccccc2Cl)CCN1CC(F)(F)F ZINC000566115215 650828052 /nfs/dbraw/zinc/82/80/52/650828052.db2.gz BUKWCKHRPSCDNR-JSGCOSHPSA-N 1 0 380.794 1.970 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)CC1 ZINC000566733803 650863495 /nfs/dbraw/zinc/86/34/95/650863495.db2.gz ISWKRXJSBASEPL-KRWDZBQOSA-N 1 0 384.567 1.133 20 0 GDADRO C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1Cl)C1=CC[N@H+](C)CC1 ZINC000566857434 650870302 /nfs/dbraw/zinc/87/03/02/650870302.db2.gz OOJYHJDBVRPMFU-ZDUSSCGKSA-N 1 0 385.917 1.775 20 0 GDADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]C[C@@H](C)S(C)(=O)=O)CC2)cc1 ZINC000566909414 650872840 /nfs/dbraw/zinc/87/28/40/650872840.db2.gz FNTQQIFSSZBVJX-CQSZACIVSA-N 1 0 388.555 1.472 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)O1 ZINC000567378099 650902455 /nfs/dbraw/zinc/90/24/55/650902455.db2.gz PBLHZXUBDPDJIH-IPYPFGDCSA-N 1 0 391.295 1.959 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)O1 ZINC000567378100 650902859 /nfs/dbraw/zinc/90/28/59/650902859.db2.gz PBLHZXUBDPDJIH-NFAWXSAZSA-N 1 0 391.295 1.959 20 0 GDADRO COc1ccc2c(c1)OC[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)C2 ZINC000567457101 650905494 /nfs/dbraw/zinc/90/54/94/650905494.db2.gz FXXIKMAFHIMXKJ-CQSZACIVSA-N 1 0 382.507 1.971 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000567481274 650907060 /nfs/dbraw/zinc/90/70/60/650907060.db2.gz LCKFVQIQFCDMJX-HIFRSBDPSA-N 1 0 385.555 1.435 20 0 GDADRO CC(=O)N1CC[C@H](CN(C)C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000567499354 650908140 /nfs/dbraw/zinc/90/81/40/650908140.db2.gz VLCOWBMBVPWQSO-DYVFJYSZSA-N 1 0 382.302 1.950 20 0 GDADRO COc1cc(Br)c(C[NH2+]CCCNS(C)(=O)=O)cc1OC ZINC000044862220 644349554 /nfs/dbraw/zinc/34/95/54/644349554.db2.gz QXFHHFAZKVVOGF-UHFFFAOYSA-N 1 0 381.292 1.495 20 0 GDADRO CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000567671055 650913904 /nfs/dbraw/zinc/91/39/04/650913904.db2.gz ZNBPCJVAOJMLOM-HIFRSBDPSA-N 1 0 384.274 1.203 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000047038971 644370335 /nfs/dbraw/zinc/37/03/35/644370335.db2.gz RVBVTBUQWJEVSP-BZUAXINKSA-N 1 0 376.588 1.781 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)s1 ZINC000567679923 650914704 /nfs/dbraw/zinc/91/47/04/650914704.db2.gz JATVDZUVOMENEV-JTQLQIEISA-N 1 0 376.887 1.578 20 0 GDADRO C[C@@](O)(C[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)C(F)(F)F ZINC000567691258 650915320 /nfs/dbraw/zinc/91/53/20/650915320.db2.gz SWDMPLYJXWBOKM-OAHLLOKOSA-N 1 0 380.432 1.884 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000053302535 644443840 /nfs/dbraw/zinc/44/38/40/644443840.db2.gz IBNCFBMZFGGKTE-QLFBSQMISA-N 1 0 376.588 1.779 20 0 GDADRO O=C(CCc1cccc(Br)c1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000567830477 650922401 /nfs/dbraw/zinc/92/24/01/650922401.db2.gz CJFYSBYPFSDPHV-UHFFFAOYSA-N 1 0 379.262 1.548 20 0 GDADRO CCN1C(=O)C(=CNNc2[nH+]ccc3sccc32)C(=O)N(CC)C1=S ZINC000055181399 644469458 /nfs/dbraw/zinc/46/94/58/644469458.db2.gz FUTVLJRVMNZCIW-UHFFFAOYSA-N 1 0 375.479 1.514 20 0 GDADRO NC(=O)[C@H](c1cccc(Br)c1)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895709 650927716 /nfs/dbraw/zinc/92/77/16/650927716.db2.gz UUSOASPZUWRUNB-ZFWWWQNUSA-N 1 0 382.302 1.663 20 0 GDADRO NS(=O)(=O)c1ccc(Br)c(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000061548064 644514140 /nfs/dbraw/zinc/51/41/40/644514140.db2.gz DRHNDOVAWWWSOY-UHFFFAOYSA-N 1 0 390.303 1.312 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000567913937 650929277 /nfs/dbraw/zinc/92/92/77/650929277.db2.gz SUWMEDJPBMEIHN-MNOVXSKESA-N 1 0 391.896 1.732 20 0 GDADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000567925822 650930061 /nfs/dbraw/zinc/93/00/61/650930061.db2.gz VLRMOXDDYHZWCL-GFCCVEGCSA-N 1 0 393.289 1.737 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000568057023 650935774 /nfs/dbraw/zinc/93/57/74/650935774.db2.gz LUSQPVLSDKUVQH-CABZTGNLSA-N 1 0 380.388 1.911 20 0 GDADRO COCCCNC(=O)C[N@H+](C)Cn1ccc(=O)c2cccc(Br)c21 ZINC000105604490 644610914 /nfs/dbraw/zinc/61/09/14/644610914.db2.gz VBOFDADXDOHVRH-UHFFFAOYSA-N 1 0 396.285 1.806 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2sccc2S(=O)(=O)C(F)F)cn1 ZINC000108168332 644617793 /nfs/dbraw/zinc/61/77/93/644617793.db2.gz BEZKTWRPAXHUEW-UHFFFAOYSA-N 1 0 378.426 1.755 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000568131833 650938092 /nfs/dbraw/zinc/93/80/92/650938092.db2.gz CXXSXEWROPQWEB-UHFFFAOYSA-N 1 0 383.436 1.589 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000123911578 644701066 /nfs/dbraw/zinc/70/10/66/644701066.db2.gz OQRHLUULLTWWEK-JTQLQIEISA-N 1 0 390.303 1.311 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c1F ZINC000124239336 644705943 /nfs/dbraw/zinc/70/59/43/644705943.db2.gz NJJHEWKQNVSOMK-GFCCVEGCSA-N 1 0 376.425 1.937 20 0 GDADRO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000124522303 644708128 /nfs/dbraw/zinc/70/81/28/644708128.db2.gz ZUEPURPDHLXRRZ-YPMHNXCESA-N 1 0 379.404 1.384 20 0 GDADRO NC(=O)[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000126209606 644719361 /nfs/dbraw/zinc/71/93/61/644719361.db2.gz UEQAXLBGRDLOAN-GFCCVEGCSA-N 1 0 383.367 1.256 20 0 GDADRO Cn1cnc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1Cl ZINC000127522241 644726533 /nfs/dbraw/zinc/72/65/33/644726533.db2.gz CRXOHWPRUNBFLP-STQMWFEESA-N 1 0 376.910 1.120 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC000128165473 644728302 /nfs/dbraw/zinc/72/83/02/644728302.db2.gz UQPWWUIAJIRLAB-VXGBXAGGSA-N 1 0 375.288 1.852 20 0 GDADRO CC(C)[N@H+](C)C[C@H](O)CN(C)S(=O)(=O)c1ccc(Br)s1 ZINC000568261408 650948643 /nfs/dbraw/zinc/94/86/43/650948643.db2.gz RMFZVOJAJYMPCK-JTQLQIEISA-N 1 0 385.349 1.832 20 0 GDADRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000150698930 644775680 /nfs/dbraw/zinc/77/56/80/644775680.db2.gz KXIOERSZDYSBOG-JKSUJKDBSA-N 1 0 385.917 1.690 20 0 GDADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cn(CC[NH3+])nn1 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381.889 1.928 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177331226 644917652 /nfs/dbraw/zinc/91/76/52/644917652.db2.gz BRJDVYNVTFFNGT-ZDUSSCGKSA-N 1 0 376.544 1.801 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc(Br)c2)CC1 ZINC000178166825 644923018 /nfs/dbraw/zinc/92/30/18/644923018.db2.gz FGQCQHCSXQXJIW-ZDUSSCGKSA-N 1 0 381.274 1.223 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NNc1cc[nH+]cc1 ZINC000180442045 644945707 /nfs/dbraw/zinc/94/57/07/644945707.db2.gz WISDGIOZAQRUMB-UHFFFAOYSA-N 1 0 375.182 1.583 20 0 GDADRO C#CCOc1ccc(Br)cc1C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000181136112 644951396 /nfs/dbraw/zinc/95/13/96/644951396.db2.gz UNZZCXAPFBLOOO-UHFFFAOYSA-N 1 0 377.242 1.704 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000183154220 644967323 /nfs/dbraw/zinc/96/73/23/644967323.db2.gz TUUQSFAXYJOMQS-NSHDSACASA-N 1 0 375.288 1.930 20 0 GDADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000183191456 644967907 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GDADRO O=C(NCCN1CC[NH2+]CC1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000237962894 645088984 /nfs/dbraw/zinc/08/89/84/645088984.db2.gz BVDSJYFCGLVLLK-UHFFFAOYSA-N 1 0 379.258 1.338 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261604230 645114554 /nfs/dbraw/zinc/11/45/54/645114554.db2.gz AAIXFTMODZSMRC-OAHLLOKOSA-N 1 0 381.318 1.676 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000261847700 645118122 /nfs/dbraw/zinc/11/81/22/645118122.db2.gz WZBXAVPPOSAMJS-WDEREUQCSA-N 1 0 377.304 1.583 20 0 GDADRO COc1cc(C(=O)N(CCC[NH3+])Cc2ccccc2)sc1S(N)(=O)=O ZINC000569005460 650980593 /nfs/dbraw/zinc/98/05/93/650980593.db2.gz XMWBUYVAMPKNEK-UHFFFAOYSA-N 1 0 383.495 1.395 20 0 GDADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000261921111 645119499 /nfs/dbraw/zinc/11/94/99/645119499.db2.gz BPDLCXHMKVRGDZ-UHFFFAOYSA-N 1 0 391.921 1.846 20 0 GDADRO Cc1cc(Cl)ccc1OCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262055085 645121710 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NS(=O)(=O)c1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000299492372 645228453 /nfs/dbraw/zinc/22/84/53/645228453.db2.gz NWRHLKHNQNAOLO-UHFFFAOYSA-N 1 0 380.495 1.185 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000299500180 645229514 /nfs/dbraw/zinc/22/95/14/645229514.db2.gz GETHWGPFZGJYDJ-DZGCQCFKSA-N 1 0 383.539 1.502 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000314776029 645245213 /nfs/dbraw/zinc/24/52/13/645245213.db2.gz LRXSMQCBDXKKGB-LLVKDONJSA-N 1 0 379.324 1.596 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCn2cc(Br)cn2)cc1 ZINC000319094400 645250590 /nfs/dbraw/zinc/25/05/90/645250590.db2.gz ANFLDJWZGSLYLG-CQSZACIVSA-N 1 0 388.287 1.372 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000569340551 650995213 /nfs/dbraw/zinc/99/52/13/650995213.db2.gz PVUNNLPEAPESBS-ZDUSSCGKSA-N 1 0 386.930 1.645 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)s1 ZINC000569353958 650996238 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646111520 /nfs/dbraw/zinc/11/15/20/646111520.db2.gz PFQHABMIASUDKB-MEDUHNTESA-N 1 0 377.268 1.475 20 0 GDADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423127831 646115922 /nfs/dbraw/zinc/11/59/22/646115922.db2.gz POLRATISGSCTCJ-GASCZTMLSA-N 1 0 394.313 1.866 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000423135958 646116309 /nfs/dbraw/zinc/11/63/09/646116309.db2.gz OTEBJYHOAVYLRT-NSHDSACASA-N 1 0 388.331 1.927 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)s1 ZINC000423157800 646117119 /nfs/dbraw/zinc/11/71/19/646117119.db2.gz VVSRKMWQFLUKBK-ZFWWWQNUSA-N 1 0 387.571 1.825 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423234056 646119871 /nfs/dbraw/zinc/11/98/71/646119871.db2.gz OZBGTEBVMDQHGM-BETUJISGSA-N 1 0 398.276 1.615 20 0 GDADRO C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)Oc1cccc(Br)c1 ZINC000423247804 646121821 /nfs/dbraw/zinc/12/18/21/646121821.db2.gz PVBMMOGDQWYSPK-NSHDSACASA-N 1 0 382.262 1.587 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423252317 646122605 /nfs/dbraw/zinc/12/26/05/646122605.db2.gz XMSWGBIIONRTHY-GDBMZVCRSA-N 1 0 394.313 1.660 20 0 GDADRO C[C@H](NCC[C@H]1CCC[NH2+]1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423352787 646123104 /nfs/dbraw/zinc/12/31/04/646123104.db2.gz BTNFCJFCXHWNIW-CMPLNLGQSA-N 1 0 376.320 1.889 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000423451821 646125279 /nfs/dbraw/zinc/12/52/79/646125279.db2.gz GUZVAUVHHMWCIQ-IUODEOHRSA-N 1 0 382.302 1.912 20 0 GDADRO Cc1c([C@@H](C)NC[C@@H]2C[NH2+]CCO2)nnn1-c1cccc(Br)c1 ZINC000423518131 646126670 /nfs/dbraw/zinc/12/66/70/646126670.db2.gz IIQXTEJPRJUXFU-ABAIWWIYSA-N 1 0 380.290 1.977 20 0 GDADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423530401 646127958 /nfs/dbraw/zinc/12/79/58/646127958.db2.gz WQIIDFJIKCZRLH-BXUZGUMPSA-N 1 0 384.274 1.155 20 0 GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423567524 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RKEAGXXCBWFOEN-AXAPSJFSSA-N 1 0 394.313 1.918 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000423600727 646135852 /nfs/dbraw/zinc/13/58/52/646135852.db2.gz ZJSKIKRBSSURHU-LBPRGKRZSA-N 1 0 386.265 1.757 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423613229 646137104 /nfs/dbraw/zinc/13/71/04/646137104.db2.gz VEAWQAFKEYICOJ-YPMHNXCESA-N 1 0 386.279 1.793 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000423671038 646141355 /nfs/dbraw/zinc/14/13/55/646141355.db2.gz BPEQLJLDACNJCB-HIFRSBDPSA-N 1 0 394.313 1.660 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)COc3ccccc3Br)C2)nn1 ZINC000424009778 646152612 /nfs/dbraw/zinc/15/26/12/646152612.db2.gz YPZNXXFIQTWSBB-ZDUSSCGKSA-N 1 0 394.273 1.742 20 0 GDADRO CN(CC[NH3+])C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000424013472 646152699 /nfs/dbraw/zinc/15/26/99/646152699.db2.gz WUZQCAZZKSPBKA-UHFFFAOYSA-N 1 0 387.811 1.444 20 0 GDADRO COc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1Br ZINC000424248161 646172297 /nfs/dbraw/zinc/17/22/97/646172297.db2.gz XAWJCXBSCLSATC-GXTWGEPZSA-N 1 0 379.258 1.758 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)COc3cccc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000424250339 646172636 /nfs/dbraw/zinc/17/26/36/646172636.db2.gz ZCHDRRYKZCZPBZ-LSDHHAIUSA-N 1 0 379.258 1.515 20 0 GDADRO NC(=O)CC1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438846835 646224660 /nfs/dbraw/zinc/22/46/60/646224660.db2.gz KZDQOFVLHFIRMI-CQSZACIVSA-N 1 0 389.265 1.915 20 0 GDADRO COc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cc1Br ZINC000439215116 646228958 /nfs/dbraw/zinc/22/89/58/646228958.db2.gz MGUKJNMPYFKCMJ-UHFFFAOYSA-N 1 0 384.274 1.950 20 0 GDADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439430614 646231143 /nfs/dbraw/zinc/23/11/43/646231143.db2.gz MNMXTFZYHWJIIX-YUELXQCFSA-N 1 0 389.265 1.962 20 0 GDADRO COc1cc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c(OC)cc1Br ZINC000440733737 646253521 /nfs/dbraw/zinc/25/35/21/646253521.db2.gz KRZJJENWYFFPHI-JTQLQIEISA-N 1 0 381.292 1.728 20 0 GDADRO COc1ncc(S(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000917251511 660209381 /nfs/dbraw/zinc/20/93/81/660209381.db2.gz WKUNXAJTUBRZKN-UHFFFAOYSA-N 1 0 382.511 1.737 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc(Cl)nc3Cl)C2)CC1 ZINC000917904474 660224303 /nfs/dbraw/zinc/22/43/03/660224303.db2.gz XJJTWOQHXORZMR-UHFFFAOYSA-N 1 0 379.313 1.256 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(I)s2)C1 ZINC000903485876 659317252 /nfs/dbraw/zinc/31/72/52/659317252.db2.gz KVSHVXADFWWSQW-MRVPVSSYSA-N 1 0 386.280 1.583 20 0 GDADRO Nc1cc[nH+]c2c1CN(S(=O)(=O)Cc1ncsc1Br)CC2 ZINC000918905503 660242604 /nfs/dbraw/zinc/24/26/04/660242604.db2.gz GHCDMPQGGNJPPR-UHFFFAOYSA-N 1 0 389.300 1.771 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000918948176 660243470 /nfs/dbraw/zinc/24/34/70/660243470.db2.gz XLFBCRQTOTVREV-CQSZACIVSA-N 1 0 377.304 1.526 20 0 GDADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000918963331 660244031 /nfs/dbraw/zinc/24/40/31/660244031.db2.gz TXEMCUZEAIOCKB-CYBMUJFWSA-N 1 0 397.360 1.896 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000919634787 660255581 /nfs/dbraw/zinc/25/55/81/660255581.db2.gz KKTYPXIONAGYKT-ZDUSSCGKSA-N 1 0 398.305 1.638 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)NC)C[C@H]1C ZINC000442953430 647164273 /nfs/dbraw/zinc/16/42/73/647164273.db2.gz NZILKKAWSUTXHM-KGLIPLIRSA-N 1 0 389.543 1.088 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000442982457 647167727 /nfs/dbraw/zinc/16/77/27/647167727.db2.gz JMHZBNAJCCTWEX-NSHDSACASA-N 1 0 384.893 1.530 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000443009961 647169627 /nfs/dbraw/zinc/16/96/27/647169627.db2.gz CJJLIOZGDIBVCA-CYBMUJFWSA-N 1 0 383.495 1.381 20 0 GDADRO C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)S(N)(=O)=O ZINC000443505002 647213698 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COc1cc(Br)cc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000517565903 648569234 /nfs/dbraw/zinc/56/92/34/648569234.db2.gz NKLUDOWNVUSCPG-LLVKDONJSA-N 1 0 385.230 1.733 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000517567820 648569811 /nfs/dbraw/zinc/56/98/11/648569811.db2.gz TWMWEXKMEDWHRR-YWPYICTPSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000517740197 648575541 /nfs/dbraw/zinc/57/55/41/648575541.db2.gz JAGVAERGMFKHFD-RBSFLKMASA-N 1 0 376.567 1.370 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCCN1c1nccs1 ZINC000518168105 648588645 /nfs/dbraw/zinc/58/86/45/648588645.db2.gz ZSZVYTHGYBJRQO-RYUDHWBXSA-N 1 0 377.436 1.064 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)CC2 ZINC000518360013 648594740 /nfs/dbraw/zinc/59/47/40/648594740.db2.gz APCXFFMYBHSYBY-ZDUSSCGKSA-N 1 0 394.313 1.840 20 0 GDADRO CCNC(=O)N1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000518362599 648595123 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GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000521437028 648656269 /nfs/dbraw/zinc/65/62/69/648656269.db2.gz JJDQMNNGJUYJPO-GASCZTMLSA-N 1 0 388.555 1.326 20 0 GDADRO CN(C1CCCCC1)S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000523491145 648684114 /nfs/dbraw/zinc/68/41/14/648684114.db2.gz IUDPJFWZQWIPSU-UHFFFAOYSA-N 1 0 377.551 1.701 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1)c1ccsc1 ZINC000527656391 648708186 /nfs/dbraw/zinc/70/81/86/648708186.db2.gz DYMUZAFHLBPWGX-OAHLLOKOSA-N 1 0 386.543 1.170 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527684982 648709242 /nfs/dbraw/zinc/70/92/42/648709242.db2.gz STYHEVLHZLQAIF-SECBINFHSA-N 1 0 382.711 1.869 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@]2(C)Br)cc1 ZINC000528448413 648715894 /nfs/dbraw/zinc/71/58/94/648715894.db2.gz FJTKYKUDOAWVMG-WMLDXEAASA-N 1 0 382.302 1.768 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000528816365 648729600 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[NH3+]C1CCN(C(=O)C(=O)Nc2ccc(I)cc2F)CC1 ZINC000571820635 651083687 /nfs/dbraw/zinc/08/36/87/651083687.db2.gz FKUNMLSVCSHDEI-UHFFFAOYSA-N 1 0 391.184 1.319 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1I ZINC000571881694 651085327 /nfs/dbraw/zinc/08/53/27/651085327.db2.gz YWFXAOUIRUVHBW-RNFRBKRXSA-N 1 0 388.658 1.959 20 0 GDADRO COc1cc(Br)c(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1OC ZINC000572466132 651097973 /nfs/dbraw/zinc/09/79/73/651097973.db2.gz JJQGJHLDAQGPID-MFKMUULPSA-N 1 0 384.274 1.970 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccc(Cl)s1)C2=O ZINC000572518469 651099323 /nfs/dbraw/zinc/09/93/23/651099323.db2.gz UEUSANIBKWBMNT-QLJPJBMISA-N 1 0 384.889 1.457 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000572586362 651099749 /nfs/dbraw/zinc/09/97/49/651099749.db2.gz NFDXTSOCILOLNM-CJNGLKHVSA-N 1 0 386.543 1.282 20 0 GDADRO CC1(C)[NH2+]CC[C@H]1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000572691802 651102528 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[NH3+]CC[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C(F)F ZINC000573205466 651471485 /nfs/dbraw/zinc/47/14/85/651471485.db2.gz RYRNWFAEGIRQFT-SECBINFHSA-N 1 0 392.200 1.273 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1OC ZINC000573205832 651471489 /nfs/dbraw/zinc/47/14/89/651471489.db2.gz DGFIRLGZQYOTAJ-LBPRGKRZSA-N 1 0 375.878 1.066 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)O1 ZINC000573210160 651471789 /nfs/dbraw/zinc/47/17/89/651471789.db2.gz DLZSJJNRQXUODW-CVEARBPZSA-N 1 0 382.302 1.600 20 0 GDADRO CN1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)[C@@H](C[NH3+])C1 ZINC000573376755 651476899 /nfs/dbraw/zinc/47/68/99/651476899.db2.gz YWGVWXGKBDYFFX-LBPRGKRZSA-N 1 0 396.738 1.507 20 0 GDADRO CN(C(=O)CS(=O)(=O)c1cccc(Br)c1)C1(C[NH3+])CCC1 ZINC000573489877 651480865 /nfs/dbraw/zinc/48/08/65/651480865.db2.gz LFZNTIMWCMRKLL-UHFFFAOYSA-N 1 0 375.288 1.563 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(I)cc1F ZINC000573507241 651481851 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397.317 1.578 20 0 GDADRO C[C@H](NC(=O)c1cc(F)c(F)cc1Br)C(=O)NCC[NH+](C)C ZINC000581321133 651972217 /nfs/dbraw/zinc/97/22/17/651972217.db2.gz ZAEOFUMQJSMFPK-QMMMGPOBSA-N 1 0 378.217 1.523 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)sc1C(F)(F)F ZINC000581358174 651974245 /nfs/dbraw/zinc/97/42/45/651974245.db2.gz PWWAYWUTPBEQTP-LPEHRKFASA-N 1 0 376.404 1.995 20 0 GDADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000581487530 651977468 /nfs/dbraw/zinc/97/74/68/651977468.db2.gz SWVOKJIZBLFXLX-GIQXQAFTSA-N 1 0 397.244 1.953 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCSc3ccc(Br)cc3)CCN2C1=O ZINC000581499729 651978876 /nfs/dbraw/zinc/97/88/76/651978876.db2.gz QJCACGPANSWHCB-OCCSQVGLSA-N 1 0 398.326 1.702 20 0 GDADRO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2I)C1 ZINC000582301205 651987117 /nfs/dbraw/zinc/98/71/17/651987117.db2.gz XJNQJJNKJNIRNF-QMMMGPOBSA-N 1 0 386.642 1.666 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1 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398.326 1.969 20 0 GDADRO Cc1nnc([C@H](C)NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000627348776 653073172 /nfs/dbraw/zinc/07/31/72/653073172.db2.gz SHOCZXFSTGXFMI-HGNGGELXSA-N 1 0 379.408 1.009 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000627378459 653074296 /nfs/dbraw/zinc/07/42/96/653074296.db2.gz MJTGZERMKCHKPK-CORIIIEPSA-N 1 0 395.301 1.011 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000627406172 653074632 /nfs/dbraw/zinc/07/46/32/653074632.db2.gz YEOQOOFNHRHEQP-TZMCWYRMSA-N 1 0 382.302 1.879 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc(F)c1Br ZINC000627982556 653082979 /nfs/dbraw/zinc/08/29/79/653082979.db2.gz PLTAZTGQADTOTN-LLVKDONJSA-N 1 0 388.237 1.018 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000628104718 653089517 /nfs/dbraw/zinc/08/95/17/653089517.db2.gz BSHORTFJCSOZFZ-JTQLQIEISA-N 1 0 388.237 1.018 20 0 GDADRO O[C@@H](C[NH2+]CCN1CC[C@@H](O)C1)COc1ccc(Cl)cc1Br 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ZINC000631790641 653254078 /nfs/dbraw/zinc/25/40/78/653254078.db2.gz XEWHABPDSNVCNB-UHFFFAOYSA-N 1 0 387.933 1.769 20 0 GDADRO C[C@@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000631844012 653258676 /nfs/dbraw/zinc/25/86/76/653258676.db2.gz UKPWAQDHJIGHMD-VXGBXAGGSA-N 1 0 383.290 1.030 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000631872281 653262942 /nfs/dbraw/zinc/26/29/42/653262942.db2.gz YBFBQDXRONNUHG-UHFFFAOYSA-N 1 0 378.292 1.259 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631902365 653265539 /nfs/dbraw/zinc/26/55/39/653265539.db2.gz XHIABGSMOCSYLG-UHFFFAOYSA-N 1 0 388.291 1.173 20 0 GDADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1c[nH]nc1C(F)(F)F ZINC000631905429 653265804 /nfs/dbraw/zinc/26/58/04/653265804.db2.gz MPMXKSMTJBLWEY-UHFFFAOYSA-N 1 0 382.408 1.352 20 0 GDADRO CN(Cc1ccccc1Br)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631909033 653266816 /nfs/dbraw/zinc/26/68/16/653266816.db2.gz NBYFUVBWBGRSIN-UHFFFAOYSA-N 1 0 376.320 1.810 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631911450 653267788 /nfs/dbraw/zinc/26/77/88/653267788.db2.gz GEZUUGDJOKEEDJ-ZDCRXTMVSA-N 1 0 398.369 1.804 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631916618 653269552 /nfs/dbraw/zinc/26/95/52/653269552.db2.gz ZYGXSTDIGAPNSA-LBPRGKRZSA-N 1 0 390.347 1.898 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000631926762 653272395 /nfs/dbraw/zinc/27/23/95/653272395.db2.gz HWITWOYRJSEAJH-WBVHZDCISA-N 1 0 381.885 1.732 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000631929914 653273610 /nfs/dbraw/zinc/27/36/10/653273610.db2.gz QTEAIHKGFRCCJR-BDAKNGLRSA-N 1 0 388.291 1.171 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000631949670 653277407 /nfs/dbraw/zinc/27/74/07/653277407.db2.gz MDXZSFTZKCJTGR-AWEZNQCLSA-N 1 0 386.949 1.685 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ccc(Br)c(F)c1F ZINC000631954852 653279062 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O=C(NCCN1CC[NH2+]CC1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000652202040 653884871 /nfs/dbraw/zinc/88/48/71/653884871.db2.gz ZBLCZZIRAQUFMM-UHFFFAOYSA-N 1 0 386.327 1.730 20 0 GDADRO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)cc1 ZINC000652366480 653888461 /nfs/dbraw/zinc/88/84/61/653888461.db2.gz XPVGEPCZJQHWGQ-LBPRGKRZSA-N 1 0 380.491 1.613 20 0 GDADRO O=S(=O)(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)c(F)c1 ZINC000652369816 653888789 /nfs/dbraw/zinc/88/87/89/653888789.db2.gz BRRNTPZUEJZJQB-GFCCVEGCSA-N 1 0 389.802 1.594 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652376607 653889742 /nfs/dbraw/zinc/88/97/42/653889742.db2.gz XRORJOPWNALZHL-YOEHRIQHSA-N 1 0 386.539 1.456 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652376105 653889843 /nfs/dbraw/zinc/88/98/43/653889843.db2.gz WSGVDSPQHBWXJE-YOEHRIQHSA-N 1 0 386.539 1.620 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2C)C[C@H]1C[NH3+] ZINC000652637188 653895320 /nfs/dbraw/zinc/89/53/20/653895320.db2.gz MFRWTJMUWCPFCO-BXUZGUMPSA-N 1 0 384.274 1.518 20 0 GDADRO COc1ccc(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1Br ZINC000652683803 653896608 /nfs/dbraw/zinc/89/66/08/653896608.db2.gz YMRJRUNLIRZPDJ-UHFFFAOYSA-N 1 0 384.274 1.319 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652678831 653896693 /nfs/dbraw/zinc/89/66/93/653896693.db2.gz QDZOFVHEMKKADZ-UHFFFAOYSA-N 1 0 398.301 1.580 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652678734 653896717 /nfs/dbraw/zinc/89/67/17/653896717.db2.gz MZPQUZYSHBFJBU-UHFFFAOYSA-N 1 0 384.274 1.319 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000652725821 653897589 /nfs/dbraw/zinc/89/75/89/653897589.db2.gz VCHSFMXMVHBQKK-UKRRQHHQSA-N 1 0 398.301 1.230 20 0 GDADRO C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)c1cc2c(cc1Br)OCCO2 ZINC000653074352 653905030 /nfs/dbraw/zinc/90/50/30/653905030.db2.gz FNVIWSLAKICYNQ-GWCFXTLKSA-N 1 0 386.290 1.677 20 0 GDADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H](N)CC[NH+](C)C)c(F)cc1F ZINC000653084317 653905875 /nfs/dbraw/zinc/90/58/75/653905875.db2.gz ARIRTJOLWUNVMF-GFCCVEGCSA-N 1 0 378.445 1.334 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000653084337 653905984 /nfs/dbraw/zinc/90/59/84/653905984.db2.gz BJRZWFWEPPQCGL-MRXNPFEDSA-N 1 0 398.345 1.893 20 0 GDADRO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000653139758 653907194 /nfs/dbraw/zinc/90/71/94/653907194.db2.gz UYWMHCLFXFYIPD-CABCVRRESA-N 1 0 394.313 1.821 20 0 GDADRO [NH3+]CC1(CCNC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000653218602 653908611 /nfs/dbraw/zinc/90/86/11/653908611.db2.gz BLTMVKUPKRRQKB-UHFFFAOYSA-N 1 0 396.285 1.810 20 0 GDADRO CCO[C@@H]1CN(C(=O)c2cc(OC)c(Br)c(OC)c2)C[C@H]1C[NH3+] ZINC000653245166 653909190 /nfs/dbraw/zinc/90/91/90/653909190.db2.gz PTADFDLCXLYBMD-BXUZGUMPSA-N 1 0 387.274 1.902 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC2CC[NH2+]CC2)s1 ZINC000653269559 653909426 /nfs/dbraw/zinc/90/94/26/653909426.db2.gz HWOXDWYMQNIKFL-HNNXBMFYSA-N 1 0 385.555 1.716 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654392042 653935150 /nfs/dbraw/zinc/93/51/50/653935150.db2.gz IHLNNEUPHFXOPE-QWHCGFSZSA-N 1 0 386.265 1.591 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654439857 653936982 /nfs/dbraw/zinc/93/69/82/653936982.db2.gz YDQCVXMBIYOGTA-ZDUSSCGKSA-N 1 0 397.317 1.599 20 0 GDADRO C[C@H](NC(=O)C(C)(C)c1ccccc1Br)C(=O)NCC[NH+](C)C ZINC000655081149 653958023 /nfs/dbraw/zinc/95/80/23/653958023.db2.gz VFYXUYMVOWMRMG-LBPRGKRZSA-N 1 0 384.318 1.909 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@@H]1O ZINC000655094679 653958709 /nfs/dbraw/zinc/95/87/09/653958709.db2.gz RGYBNPYZFKBUTN-ZFWWWQNUSA-N 1 0 380.242 1.038 20 0 GDADRO COc1ccc(Br)cc1C1(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000655294009 653963262 /nfs/dbraw/zinc/96/32/62/653963262.db2.gz HFCVQPHUKCSVHS-UONOGXRCSA-N 1 0 395.297 1.767 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)s1 ZINC000655422975 653969226 /nfs/dbraw/zinc/96/92/26/653969226.db2.gz PRKJASRGNSWQIU-RHSMWYFYSA-N 1 0 385.555 1.785 20 0 GDADRO CSc1cc(Br)ccc1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000655417498 653969277 /nfs/dbraw/zinc/96/92/77/653969277.db2.gz MNSZYPYOESZKOT-UHFFFAOYSA-N 1 0 397.302 1.951 20 0 GDADRO CC[C@@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000655508727 653972533 /nfs/dbraw/zinc/97/25/33/653972533.db2.gz NSAHIYHQSUHEBN-QWRGUYRKSA-N 1 0 376.770 1.950 20 0 GDADRO COCc1nc2sc(C(=O)N[C@H](C[NH3+])C(F)(F)F)c(C)c2c(OC)n1 ZINC000655509301 653972677 /nfs/dbraw/zinc/97/26/77/653972677.db2.gz SOFCHYQPFSXNBX-SSDOTTSWSA-N 1 0 378.376 1.774 20 0 GDADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(F)(F)F ZINC000655509421 653973079 /nfs/dbraw/zinc/97/30/79/653973079.db2.gz MWCHXVQDPKQURP-WCQYABFASA-N 1 0 379.404 1.093 20 0 GDADRO Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc12 ZINC000655513157 653973258 /nfs/dbraw/zinc/97/32/58/653973258.db2.gz QQUMVGOFCWPIPQ-GMSGAONNSA-N 1 0 377.392 1.067 20 0 GDADRO Cc1cc(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)ccc1Cl ZINC000655601272 653978678 /nfs/dbraw/zinc/97/86/78/653978678.db2.gz OOPBJSLXAYWBEH-UHFFFAOYSA-N 1 0 387.933 1.919 20 0 GDADRO O=S(=O)(CCc1ccccc1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655647490 653984572 /nfs/dbraw/zinc/98/45/72/653984572.db2.gz JCRXELOFEJSTET-UONOGXRCSA-N 1 0 389.315 1.072 20 0 GDADRO C[C@H]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)CS1 ZINC000655696757 653990497 /nfs/dbraw/zinc/99/04/97/653990497.db2.gz KHVBSDMNTGQCKF-JKSUJKDBSA-N 1 0 384.571 1.407 20 0 GDADRO CN1CCN([C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c2cccs2)CC1 ZINC000655910601 653993206 /nfs/dbraw/zinc/99/32/06/653993206.db2.gz ZYSJUQGRYASWEL-DGCLKSJQSA-N 1 0 379.452 1.225 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)C(F)(F)F ZINC000655913404 653993419 /nfs/dbraw/zinc/99/34/19/653993419.db2.gz HQYXABQVTLKBAD-SNVBAGLBSA-N 1 0 398.179 1.909 20 0 GDADRO [NH3+]C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(F)(F)F ZINC000655922936 653994169 /nfs/dbraw/zinc/99/41/69/653994169.db2.gz UEFCTRFNVAJAPH-HQJQHLMTSA-N 1 0 382.745 1.773 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@H](CO)Cc1ccccc1Br)C(F)(F)F ZINC000655928297 653994744 /nfs/dbraw/zinc/99/47/44/653994744.db2.gz KXYDGXCZHOLVJX-BXKDBHETSA-N 1 0 398.223 1.789 20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000655951396 653995711 /nfs/dbraw/zinc/99/57/11/653995711.db2.gz UESFIJFKFLCUAR-SMDDNHRTSA-N 1 0 377.304 1.635 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CCO1 ZINC000656029686 654000326 /nfs/dbraw/zinc/00/03/26/654000326.db2.gz FKKPSLQFUTZJKI-XHDPSFHLSA-N 1 0 388.295 1.617 20 0 GDADRO O=S(=O)(NCc1cn(CCC[NH+]2CCSCC2)nn1)c1ccccc1 ZINC000656450628 654030707 /nfs/dbraw/zinc/03/07/07/654030707.db2.gz XVKKLDVCZUASBL-UHFFFAOYSA-N 1 0 381.527 1.196 20 0 GDADRO C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000656900174 654068161 /nfs/dbraw/zinc/06/81/61/654068161.db2.gz VELPLMSBOKBVON-NSHDSACASA-N 1 0 392.319 1.310 20 0 GDADRO CO[C@H](CS(=O)(=O)NC(C)(C)CCN1CC[NH+](C)CC1)C1CCCC1 ZINC000656962091 654078809 /nfs/dbraw/zinc/07/88/09/654078809.db2.gz VHKWCLZPRZRVPK-QGZVFWFLSA-N 1 0 375.579 1.527 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ncccc2Br)CC1 ZINC000656965891 654080076 /nfs/dbraw/zinc/08/00/76/654080076.db2.gz QGZWRYISVAUHFG-LBPRGKRZSA-N 1 0 391.335 1.148 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)s1 ZINC000657033712 654104427 /nfs/dbraw/zinc/10/44/27/654104427.db2.gz LOQUTPYXZVGTBY-AWEZNQCLSA-N 1 0 387.571 1.825 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)[NH+](C)C ZINC000657090052 654107823 /nfs/dbraw/zinc/10/78/23/654107823.db2.gz FEWXOJXIEGCSRG-LLVKDONJSA-N 1 0 382.935 1.503 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)c(Br)c1 ZINC000657092769 654108869 /nfs/dbraw/zinc/10/88/69/654108869.db2.gz MWYLQWPWVUDHIW-UHFFFAOYSA-N 1 0 392.363 1.919 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC(=O)N1 ZINC000657711559 654158183 /nfs/dbraw/zinc/15/81/83/654158183.db2.gz OYPDJQJFPNXPIY-MFKMUULPSA-N 1 0 384.274 1.331 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658365722 654185867 /nfs/dbraw/zinc/18/58/67/654185867.db2.gz DNAAKEPABJMSTR-UHFFFAOYSA-N 1 0 394.310 1.255 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2C1 ZINC000658375831 654186731 /nfs/dbraw/zinc/18/67/31/654186731.db2.gz NOHQDSWQLOHHFL-AEGPPILISA-N 1 0 383.539 1.401 20 0 GDADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000658379325 654187190 /nfs/dbraw/zinc/18/71/90/654187190.db2.gz OPDDQCJYJICVJB-YABSGUDNSA-N 1 0 375.288 1.734 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)Cc3cc(F)ccc3Cl)C2)nn1 ZINC000658382366 654188051 /nfs/dbraw/zinc/18/80/51/654188051.db2.gz DURKXPISCSKBQF-AWEZNQCLSA-N 1 0 387.868 1.696 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCC2([NH3+])CCCC2)cc1 ZINC000658391317 654189240 /nfs/dbraw/zinc/18/92/40/654189240.db2.gz ZFTPLWQWWLQJPO-UHFFFAOYSA-N 1 0 389.543 1.267 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000658945656 654213929 /nfs/dbraw/zinc/21/39/29/654213929.db2.gz MNQIZVFLZUIPFB-UKRRQHHQSA-N 1 0 382.302 1.992 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000659112996 654215157 /nfs/dbraw/zinc/21/51/57/654215157.db2.gz BSCWBHIVBCOXRA-ZETCQYMHSA-N 1 0 393.079 1.874 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000659113704 654215735 /nfs/dbraw/zinc/21/57/35/654215735.db2.gz QFQQGUXWAAITEU-NSHDSACASA-N 1 0 394.273 1.357 20 0 GDADRO C[C@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)[C@H]1CCC[NH2+]C1 ZINC000659295375 654221047 /nfs/dbraw/zinc/22/10/47/654221047.db2.gz RNNDJJAGMGTSJZ-QWRGUYRKSA-N 1 0 379.262 1.543 20 0 GDADRO COC[C@]1(CNC(=O)c2cc(Br)cc3c2OCCO3)CCC[NH2+]1 ZINC000659306267 654221493 /nfs/dbraw/zinc/22/14/93/654221493.db2.gz DYRKNZUSLCOTEJ-MRXNPFEDSA-N 1 0 385.258 1.719 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)nn1 ZINC000659357615 654223505 /nfs/dbraw/zinc/22/35/05/654223505.db2.gz KVSOJHRZLGAYHQ-UHFFFAOYSA-N 1 0 393.289 1.352 20 0 GDADRO [NH3+]CCn1cc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)nn1 ZINC000659371551 654224569 /nfs/dbraw/zinc/22/45/69/654224569.db2.gz WOXUGCKYSODRTF-CQSZACIVSA-N 1 0 380.246 1.213 20 0 GDADRO Cc1c(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000659389092 654225155 /nfs/dbraw/zinc/22/51/55/654225155.db2.gz IDSVBKRBOYZADR-CHWSQXEVSA-N 1 0 382.237 1.850 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCNc2ncc(Cl)cc2Cl)n1 ZINC000659436834 654226629 /nfs/dbraw/zinc/22/66/29/654226629.db2.gz QWQFQKNTNJQISP-UHFFFAOYSA-N 1 0 386.243 1.254 20 0 GDADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NCCN1CC[NH2+]CC1 ZINC000659508694 654227830 /nfs/dbraw/zinc/22/78/30/654227830.db2.gz XHPMBCYDECDGHN-INIZCTEOSA-N 1 0 383.334 1.975 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCNC(=O)c2ccc(Br)cn2)C1 ZINC000659555228 654229290 /nfs/dbraw/zinc/22/92/90/654229290.db2.gz PEHRBMYWWRKFBX-PWSUYJOCSA-N 1 0 384.278 1.001 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659630831 654230163 /nfs/dbraw/zinc/23/01/63/654230163.db2.gz MXIOUCODWXJYRN-UHFFFAOYSA-N 1 0 398.236 1.884 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000659639361 654230799 /nfs/dbraw/zinc/23/07/99/654230799.db2.gz ZGQSCACYZYOIQO-LLVKDONJSA-N 1 0 392.884 1.103 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000659638034 654230811 /nfs/dbraw/zinc/23/08/11/654230811.db2.gz ICIQWZQHVQOYSI-NWDGAFQWSA-N 1 0 398.305 1.812 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000660151653 654241427 /nfs/dbraw/zinc/24/14/27/654241427.db2.gz VBKIHHRZCKPOKZ-LBPRGKRZSA-N 1 0 376.910 1.337 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1C(F)(F)F ZINC000660569973 654255019 /nfs/dbraw/zinc/25/50/19/654255019.db2.gz DWDLBHNZHYEEON-MROQNXINSA-N 1 0 383.436 1.230 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000660584625 654256208 /nfs/dbraw/zinc/25/62/08/654256208.db2.gz LTCHXLGBRQGLQY-UHFFFAOYSA-N 1 0 399.333 1.859 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCSC[C@H]2c2nccs2)C1 ZINC000661532946 654275095 /nfs/dbraw/zinc/27/50/95/654275095.db2.gz WZQMBNNULQNRNY-KGLIPLIRSA-N 1 0 382.555 1.749 20 0 GDADRO [NH3+]CCN(Cc1csc(-c2ccc(Br)cc2)n1)C[C@@H](O)CO ZINC000662287692 654292086 /nfs/dbraw/zinc/29/20/86/654292086.db2.gz GVZNSMNCZADQOI-CQSZACIVSA-N 1 0 386.315 1.687 20 0 GDADRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000662620754 654298447 /nfs/dbraw/zinc/29/84/47/654298447.db2.gz BAXWQAIJUGKZOW-BLLLJJGKSA-N 1 0 383.290 1.598 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC4CC3(C[NH3+])C4)C2)s1 ZINC000662676918 654299435 /nfs/dbraw/zinc/29/94/35/654299435.db2.gz ROEACKYWKHLJNE-UUCFBXCCSA-N 1 0 383.539 1.407 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000662677468 654299705 /nfs/dbraw/zinc/29/97/05/654299705.db2.gz IUQUZGIHDPGROZ-UHFFFAOYSA-N 1 0 394.269 1.514 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000662751548 654301594 /nfs/dbraw/zinc/30/15/94/654301594.db2.gz KESOPSLEPZMKMW-IRXDYDNUSA-N 1 0 396.329 1.894 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662845598 654306955 /nfs/dbraw/zinc/30/69/55/654306955.db2.gz VOVGOPYHIIYQNM-JTQLQIEISA-N 1 0 381.420 1.568 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@]23C[C@@H]2CCC3)c(C)c[nH+]1 ZINC000662860549 654310717 /nfs/dbraw/zinc/31/07/17/654310717.db2.gz JQFVELPNYDYBMK-HOCLYGCPSA-N 1 0 387.527 1.114 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000662876075 654315381 /nfs/dbraw/zinc/31/53/81/654315381.db2.gz PQMTVUPAZLCGCD-UHFFFAOYSA-N 1 0 378.281 1.221 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000662880796 654316287 /nfs/dbraw/zinc/31/62/87/654316287.db2.gz CHBNIHBRBJYAGH-CABCVRRESA-N 1 0 396.285 1.217 20 0 GDADRO C[C@]1(NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC[NH2+]C1 ZINC000663008091 654318256 /nfs/dbraw/zinc/31/82/56/654318256.db2.gz FOTBUFPUNUPSQW-AWEZNQCLSA-N 1 0 375.288 1.232 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1Cl ZINC000663310675 654332574 /nfs/dbraw/zinc/33/25/74/654332574.db2.gz IXXHYVRHRAVLNF-NSHDSACASA-N 1 0 391.774 1.948 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000663311923 654332870 /nfs/dbraw/zinc/33/28/70/654332870.db2.gz RYKPAWPROAMXNK-GFCCVEGCSA-N 1 0 388.433 1.217 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1F ZINC000663313270 654333377 /nfs/dbraw/zinc/33/33/77/654333377.db2.gz WACPZBYWROVJJA-CQSZACIVSA-N 1 0 379.479 1.008 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(c2nnc3ccc(Br)cn32)CC1 ZINC000663540565 654341369 /nfs/dbraw/zinc/34/13/69/654341369.db2.gz WQIBGNUXRKZNBP-UHFFFAOYSA-N 1 0 393.289 1.236 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1nc(C2CC2)ncc1Br ZINC000664367604 654376968 /nfs/dbraw/zinc/37/69/68/654376968.db2.gz AEXQMOMDLMOANE-UHFFFAOYSA-N 1 0 398.305 1.209 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000664410644 654378340 /nfs/dbraw/zinc/37/83/40/654378340.db2.gz YHQPBRCIJKNENL-AVGNSLFASA-N 1 0 385.452 1.478 20 0 GDADRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000666293383 654422720 /nfs/dbraw/zinc/42/27/20/654422720.db2.gz DBZCDVWQVRDMSJ-LBPRGKRZSA-N 1 0 392.319 1.347 20 0 GDADRO CN(C)C(=O)CNC(=S)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000768785668 654430731 /nfs/dbraw/zinc/43/07/31/654430731.db2.gz OKORXPPANUSHHU-CYBMUJFWSA-N 1 0 376.448 1.860 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CCO1 ZINC000667403143 654448457 /nfs/dbraw/zinc/44/84/57/654448457.db2.gz SLYATOIDTHGTTI-JOYOIKCWSA-N 1 0 397.273 1.235 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC1 ZINC000667512141 654453028 /nfs/dbraw/zinc/45/30/28/654453028.db2.gz RBTWOHSDQXFPAP-UHFFFAOYSA-N 1 0 384.249 1.817 20 0 GDADRO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667535477 654454197 /nfs/dbraw/zinc/45/41/97/654454197.db2.gz JXJQQFINIBUERS-OQPBUACISA-N 1 0 388.212 1.876 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC[C@H]1[NH3+] ZINC000667546037 654454889 /nfs/dbraw/zinc/45/48/89/654454889.db2.gz CUTHCFXYATWUFK-GXFFZTMASA-N 1 0 384.274 1.982 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000667580324 654456981 /nfs/dbraw/zinc/45/69/81/654456981.db2.gz HIMNXYWEVSLIEZ-KRWDZBQOSA-N 1 0 396.285 1.998 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000667585493 654457536 /nfs/dbraw/zinc/45/75/36/654457536.db2.gz FXAJQGJLVMXWSS-UWVGGRQHSA-N 1 0 376.201 1.685 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000732253047 654466839 /nfs/dbraw/zinc/46/68/39/654466839.db2.gz CSMVSZAZAWLCNV-IUODEOHRSA-N 1 0 375.300 1.572 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000732771087 654487353 /nfs/dbraw/zinc/48/73/53/654487353.db2.gz BCAUALNGKGLMKI-UHFFFAOYSA-N 1 0 398.348 1.620 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000668750133 654491208 /nfs/dbraw/zinc/49/12/08/654491208.db2.gz BRLPIZKHMCSBAS-HNNXBMFYSA-N 1 0 398.301 1.417 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCC(C)([NH3+])CC2)s1 ZINC000668942981 654495298 /nfs/dbraw/zinc/49/52/98/654495298.db2.gz AMUOZSAIENSSCL-UHFFFAOYSA-N 1 0 388.559 1.801 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000669043517 654498112 /nfs/dbraw/zinc/49/81/12/654498112.db2.gz ISNPDDJBFWBAGF-VIFPVBQESA-N 1 0 378.420 1.767 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000669248144 654500802 /nfs/dbraw/zinc/50/08/02/654500802.db2.gz HCDCOEBTRYDHAI-DGCLKSJQSA-N 1 0 383.290 1.622 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000733168941 654501546 /nfs/dbraw/zinc/50/15/46/654501546.db2.gz LRWRZBIDOMFERV-GFCCVEGCSA-N 1 0 391.921 1.982 20 0 GDADRO CC[C@H]1CN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000669401987 654503841 /nfs/dbraw/zinc/50/38/41/654503841.db2.gz NZBKCVLQTXYNSS-WFASDCNBSA-N 1 0 397.317 1.948 20 0 GDADRO CC[C@@H]1CN(C(=O)NCCNC(=O)c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000669437093 654505015 /nfs/dbraw/zinc/50/50/15/654505015.db2.gz QAXWZEJOSKWCDM-DOMZBBRYSA-N 1 0 397.317 1.948 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)[C@H](C)[NH+](C)C ZINC000669754645 654509879 /nfs/dbraw/zinc/50/98/79/654509879.db2.gz VNBMOMQGGBYABP-JTQLQIEISA-N 1 0 376.320 1.925 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000670172516 654519703 /nfs/dbraw/zinc/51/97/03/654519703.db2.gz IKBLYBSKDAFWDU-AWEZNQCLSA-N 1 0 375.922 1.777 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000670545718 654523818 /nfs/dbraw/zinc/52/38/18/654523818.db2.gz TTXVPTXFPDYWHZ-UHFFFAOYSA-N 1 0 384.274 1.284 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670851557 654526897 /nfs/dbraw/zinc/52/68/97/654526897.db2.gz XVNBNLNKJVBXBV-KBPBESRZSA-N 1 0 380.286 1.808 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671101921 654531374 /nfs/dbraw/zinc/53/13/74/654531374.db2.gz TVWPFNIHYRSJHY-RYUDHWBXSA-N 1 0 386.315 1.870 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000671106283 654531901 /nfs/dbraw/zinc/53/19/01/654531901.db2.gz CLRGUVSRSGEAJJ-HZSPNIEDSA-N 1 0 380.539 1.503 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NCc1cc(S(N)(=O)=O)ccc1F ZINC000734307685 654531969 /nfs/dbraw/zinc/53/19/69/654531969.db2.gz VRNRXEVAAIZJGG-UHFFFAOYSA-N 1 0 376.523 1.025 20 0 GDADRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000771245726 654533382 /nfs/dbraw/zinc/53/33/82/654533382.db2.gz VSOVMYBLVOFTFS-JTQLQIEISA-N 1 0 389.453 1.772 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCSC[C@@H]1c1nccs1)C1CC[NH+](C)CC1 ZINC000672009823 654549193 /nfs/dbraw/zinc/54/91/93/654549193.db2.gz SATRYZNPJOYGPI-TZMCWYRMSA-N 1 0 382.555 1.606 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)Cc1ccc(Br)o1)C1CC[NH+](C)CC1 ZINC000672010644 654549217 /nfs/dbraw/zinc/54/92/17/654549217.db2.gz ODOPKRDKVHWLHZ-NSHDSACASA-N 1 0 386.290 1.847 20 0 GDADRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773102132 654581489 /nfs/dbraw/zinc/58/14/89/654581489.db2.gz GDAMZNHKMMQJLR-IUODEOHRSA-N 1 0 390.527 1.224 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000674029992 654587130 /nfs/dbraw/zinc/58/71/30/654587130.db2.gz HYWYNGBLHFDXBB-GJZGRUSLSA-N 1 0 377.551 1.246 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000674346161 654598209 /nfs/dbraw/zinc/59/82/09/654598209.db2.gz IQALNTGRZSCISD-GFCCVEGCSA-N 1 0 393.506 1.350 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)CC(C)C ZINC000674612195 654605202 /nfs/dbraw/zinc/60/52/02/654605202.db2.gz VQZLKTIEEBOZQE-INIZCTEOSA-N 1 0 376.567 1.420 20 0 GDADRO COc1ccc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000675144459 654609505 /nfs/dbraw/zinc/60/95/05/654609505.db2.gz NKPDVWVAYIOJRN-CYBMUJFWSA-N 1 0 388.917 1.930 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000774100414 654611165 /nfs/dbraw/zinc/61/11/65/654611165.db2.gz MBBMUNZCUISSAS-NSHDSACASA-N 1 0 383.290 1.939 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000774108286 654611744 /nfs/dbraw/zinc/61/17/44/654611744.db2.gz LZGZJRAGKCAOJF-WCQYABFASA-N 1 0 381.274 1.834 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000774125720 654612647 /nfs/dbraw/zinc/61/26/47/654612647.db2.gz JYRSDFJPMGNETI-UHFFFAOYSA-N 1 0 390.241 1.526 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000774226963 654617534 /nfs/dbraw/zinc/61/75/34/654617534.db2.gz NOCPJRQFJCPLEB-LBPRGKRZSA-N 1 0 381.274 1.692 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000774248914 654619221 /nfs/dbraw/zinc/61/92/21/654619221.db2.gz BZBZYEKFHXFOGA-NDHGSNPTSA-N 1 0 377.388 1.463 20 0 GDADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000676353090 654639084 /nfs/dbraw/zinc/63/90/84/654639084.db2.gz KPQMZIOBNDQTFG-UHFFFAOYSA-N 1 0 381.495 1.160 20 0 GDADRO COc1ccc(Br)c(C[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000676644293 654647649 /nfs/dbraw/zinc/64/76/49/654647649.db2.gz TZBJTXIPJRDHDE-UHFFFAOYSA-N 1 0 377.304 1.973 20 0 GDADRO C[NH+](C)CCOC1CCN(Cn2nnn(Cc3cccs3)c2=S)CC1 ZINC000738210430 654651421 /nfs/dbraw/zinc/65/14/21/654651421.db2.gz RKXNVYATSGUAQE-UHFFFAOYSA-N 1 0 382.559 1.919 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000676945436 654657755 /nfs/dbraw/zinc/65/77/55/654657755.db2.gz LDMGNMDLIUTKTG-PHIMTYICSA-N 1 0 379.935 1.669 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000676945433 654657822 /nfs/dbraw/zinc/65/78/22/654657822.db2.gz LDMGNMDLIUTKTG-GHMZBOCLSA-N 1 0 379.935 1.669 20 0 GDADRO OCC[N@H+](CCN1CCOCC1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000775609169 654670436 /nfs/dbraw/zinc/67/04/36/654670436.db2.gz JPVCJEUOOXHWDW-MRXNPFEDSA-N 1 0 391.281 1.248 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)CCCC[NH+](C)C)ccc1Cl ZINC000740710200 654671508 /nfs/dbraw/zinc/67/15/08/654671508.db2.gz FEGSLEHKQIDTJT-UHFFFAOYSA-N 1 0 391.921 1.936 20 0 GDADRO O=C(C[NH+]1CCC(n2cc(Br)cn2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000677984974 654681045 /nfs/dbraw/zinc/68/10/45/654681045.db2.gz PCMDJZWTVHHICH-MRXNPFEDSA-N 1 0 397.317 1.920 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000742372527 654704562 /nfs/dbraw/zinc/70/45/62/654704562.db2.gz OVBNJTBEJDUZCZ-MJBXVCDLSA-N 1 0 375.922 1.845 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC(C[NH2+]C3CSC3)CC2)cc1OC ZINC000679627346 654704634 /nfs/dbraw/zinc/70/46/34/654704634.db2.gz LOKGCZQLWTVQLQ-UHFFFAOYSA-N 1 0 386.539 1.810 20 0 GDADRO CN1CCOC[C@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000679634820 654704892 /nfs/dbraw/zinc/70/48/92/654704892.db2.gz ZTABGOVEBIVUFE-INIZCTEOSA-N 1 0 397.317 1.470 20 0 GDADRO O=C(C[NH2+][C@H](CO)c1ccc(Br)cc1)N1CCOC[C@@H]1C1CC1 ZINC000679828973 654707228 /nfs/dbraw/zinc/70/72/28/654707228.db2.gz AYFDBBATBGSXMR-HZPDHXFCSA-N 1 0 383.286 1.710 20 0 GDADRO C[NH+](C)CCCNC(=O)CSc1nnc(SCc2ccccc2)n1N ZINC000776832866 654708690 /nfs/dbraw/zinc/70/86/90/654708690.db2.gz LKNBKQPSKJARCX-UHFFFAOYSA-N 1 0 380.543 1.444 20 0 GDADRO CC[NH+](CC)CCN(C(=O)/C=C/c1scnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000777276843 654715524 /nfs/dbraw/zinc/71/55/24/654715524.db2.gz FFJPMUBIFYJLSR-LFAOLKIESA-N 1 0 385.555 1.822 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000743982948 654722191 /nfs/dbraw/zinc/72/21/91/654722191.db2.gz RUYGJZQBYGHVBF-GFCCVEGCSA-N 1 0 380.286 1.939 20 0 GDADRO C[NH+]1CCN(c2ccc(CNC(=O)c3scnc3Br)cn2)CC1 ZINC000777792608 654723723 /nfs/dbraw/zinc/72/37/23/654723723.db2.gz XCIJGZYGHPHWKF-UHFFFAOYSA-N 1 0 396.314 1.982 20 0 GDADRO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000744349114 654729237 /nfs/dbraw/zinc/72/92/37/654729237.db2.gz KAOKSVAWLMAONX-GJZGRUSLSA-N 1 0 385.555 1.892 20 0 GDADRO CSC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000778077900 654731496 /nfs/dbraw/zinc/73/14/96/654731496.db2.gz NJKQCPOPMNHIOX-ZIAGYGMSSA-N 1 0 375.535 1.063 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cnc2ncc(Br)cc2c1 ZINC000681999697 654744937 /nfs/dbraw/zinc/74/49/37/654744937.db2.gz TYGPNEKLLPSREZ-UHFFFAOYSA-N 1 0 393.285 1.969 20 0 GDADRO Cc1nccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1Br ZINC000682106933 654748049 /nfs/dbraw/zinc/74/80/49/654748049.db2.gz PYZJNEWAWKYXJT-KBPBESRZSA-N 1 0 383.290 1.637 20 0 GDADRO CSc1nnc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)s1 ZINC000682127160 654748755 /nfs/dbraw/zinc/74/87/55/654748755.db2.gz XKXGAUUPALFPOL-ZDUSSCGKSA-N 1 0 384.575 1.570 20 0 GDADRO Cc1nc(CS(=O)(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cs1 ZINC000682833975 654762333 /nfs/dbraw/zinc/76/23/33/654762333.db2.gz LYHNBOYZJVNOMI-GJZGRUSLSA-N 1 0 386.587 1.772 20 0 GDADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000779522832 654762768 /nfs/dbraw/zinc/76/27/68/654762768.db2.gz FORQSWKQPXKWKK-UHFFFAOYSA-N 1 0 389.681 1.909 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1)C(=O)OC(C)(C)C ZINC000746486290 654762859 /nfs/dbraw/zinc/76/28/59/654762859.db2.gz XBBMAZWSMINUEN-HNNXBMFYSA-N 1 0 375.535 1.601 20 0 GDADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000683578677 654779856 /nfs/dbraw/zinc/77/98/56/654779856.db2.gz MAQKYOJKXHBSSC-UHFFFAOYSA-N 1 0 377.242 1.836 20 0 GDADRO COCCNC(=S)N(CC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000747760389 654790808 /nfs/dbraw/zinc/79/08/08/654790808.db2.gz WFNAIDMNIMPTDE-OAHLLOKOSA-N 1 0 379.592 1.115 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cn1 ZINC000684553391 654798955 /nfs/dbraw/zinc/79/89/55/654798955.db2.gz PHAMXNBMLRKXDY-HOCLYGCPSA-N 1 0 383.334 1.901 20 0 GDADRO COc1cc2c(cc1OC)[C@@H]([NH2+]CCS(=O)(=O)N1CCSCC1)CC2 ZINC000684552702 654799055 /nfs/dbraw/zinc/79/90/55/654799055.db2.gz JHJVIPHZGOBOMC-HNNXBMFYSA-N 1 0 386.539 1.659 20 0 GDADRO C[C@H]([NH2+]CCCn1cncn1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684678385 654804275 /nfs/dbraw/zinc/80/42/75/654804275.db2.gz LDYIOMXCLCZULR-JTQLQIEISA-N 1 0 388.291 1.429 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CCSC1 ZINC000748564551 654808005 /nfs/dbraw/zinc/80/80/05/654808005.db2.gz KHKATZCLTGWRDF-NADMHLTPSA-N 1 0 383.539 1.625 20 0 GDADRO O=C(NCC[NH+]1CCCCC1)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748698884 654810363 /nfs/dbraw/zinc/81/03/63/654810363.db2.gz OCRWTWWMRJKFAE-UHFFFAOYSA-N 1 0 385.917 1.950 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000685103664 654813623 /nfs/dbraw/zinc/81/36/23/654813623.db2.gz VEBBYPGPJGMDJS-CZUORRHYSA-N 1 0 394.313 1.926 20 0 GDADRO Cc1n[nH]c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1Br ZINC000782031576 654822928 /nfs/dbraw/zinc/82/29/28/654822928.db2.gz CHSXYIIGHCTGLN-AWEZNQCLSA-N 1 0 393.285 1.977 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000782210228 654826335 /nfs/dbraw/zinc/82/63/35/654826335.db2.gz QKLMDVSNVDTOSX-HNNXBMFYSA-N 1 0 384.571 1.385 20 0 GDADRO CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000685797702 654827565 /nfs/dbraw/zinc/82/75/65/654827565.db2.gz NRGABONBEMENDO-NSHDSACASA-N 1 0 394.324 1.824 20 0 GDADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749379639 654831312 /nfs/dbraw/zinc/83/13/12/654831312.db2.gz CPAGEIUMADSARG-UHFFFAOYSA-N 1 0 381.278 1.839 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000749407873 654833065 /nfs/dbraw/zinc/83/30/65/654833065.db2.gz QYDYHQBEWHJNDQ-GFCCVEGCSA-N 1 0 393.289 1.839 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)[C@@H](C)O1 ZINC000721741895 654839186 /nfs/dbraw/zinc/83/91/86/654839186.db2.gz MXTMUYPTRKOWER-KBXIAJHMSA-N 1 0 376.519 1.566 20 0 GDADRO Cc1ncsc1C[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721756756 654839590 /nfs/dbraw/zinc/83/95/90/654839590.db2.gz ZRYMHQBGGKGKMJ-CYBMUJFWSA-N 1 0 389.543 1.965 20 0 GDADRO OCCCC[NH+]1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000750055836 654847442 /nfs/dbraw/zinc/84/74/42/654847442.db2.gz YLECZUXDHCRIEU-MRXNPFEDSA-N 1 0 387.318 1.579 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000783392203 654859582 /nfs/dbraw/zinc/85/95/82/654859582.db2.gz CBRBYABBQDDFKL-GFCCVEGCSA-N 1 0 383.290 1.891 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)OCCCOCCC[NH+]1CCCCC1 ZINC000750799311 654861545 /nfs/dbraw/zinc/86/15/45/654861545.db2.gz MXYIPOGHFQXIMU-MRXNPFEDSA-N 1 0 376.519 1.236 20 0 GDADRO CC[C@H](CO)[NH2+]CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000727059457 654862698 /nfs/dbraw/zinc/86/26/98/654862698.db2.gz YWXJYLMANSFBMF-CYBMUJFWSA-N 1 0 386.290 1.515 20 0 GDADRO C[NH+]1CCC(CNC(=S)NCCS(=O)(=O)CCc2ccccc2)CC1 ZINC000799910304 654862940 /nfs/dbraw/zinc/86/29/40/654862940.db2.gz AGJGNVOXZCRXJS-UHFFFAOYSA-N 1 0 383.583 1.450 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1[NH+]1CCCC1 ZINC000783592854 654863289 /nfs/dbraw/zinc/86/32/89/654863289.db2.gz NKUCWVCBJWOMRB-CABCVRRESA-N 1 0 384.527 1.378 20 0 GDADRO CC[NH+](CC)CCOc1ccc(NC(=S)NCCNS(C)(=O)=O)cc1 ZINC000727074848 654864789 /nfs/dbraw/zinc/86/47/89/654864789.db2.gz BNGLYZUIOBPJAI-UHFFFAOYSA-N 1 0 388.559 1.243 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000751007971 654868100 /nfs/dbraw/zinc/86/81/00/654868100.db2.gz FKFVCGDEYLXGQR-NSHDSACASA-N 1 0 375.878 1.532 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000727287181 654872001 /nfs/dbraw/zinc/87/20/01/654872001.db2.gz BTORYFVYRYHPIM-HIFRSBDPSA-N 1 0 384.571 1.604 20 0 GDADRO O=C(N[C@@H](CO)C(=O)OCCC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000800148367 654875295 /nfs/dbraw/zinc/87/52/95/654875295.db2.gz BJFQTWHSRRWVNW-HNNXBMFYSA-N 1 0 399.285 1.569 20 0 GDADRO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H]3CCC[C@@H]3CNS(C)(=O)=O)cc12 ZINC000800309205 654881977 /nfs/dbraw/zinc/88/19/77/654881977.db2.gz FZGXFZLRZMHSGS-BXUZGUMPSA-N 1 0 385.921 1.738 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000800309106 654881984 /nfs/dbraw/zinc/88/19/84/654881984.db2.gz HNMRQXFMQMCWBL-HIFRSBDPSA-N 1 0 375.535 1.693 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000751327525 654883447 /nfs/dbraw/zinc/88/34/47/654883447.db2.gz ZSVXDXDDYXJQSA-AUWJEWJLSA-N 1 0 376.906 1.513 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000751497703 654896633 /nfs/dbraw/zinc/89/66/33/654896633.db2.gz VLDCRSDXPYOGDM-SNVBAGLBSA-N 1 0 377.894 1.776 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O)N1CC[NH+](C)CC1 ZINC000800917948 654900519 /nfs/dbraw/zinc/90/05/19/654900519.db2.gz UTNVBFUHAYBTBR-LBPRGKRZSA-N 1 0 385.917 1.383 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000785432309 654917393 /nfs/dbraw/zinc/91/73/93/654917393.db2.gz WCOMAVMDQPLIQR-UHFFFAOYSA-N 1 0 378.274 1.972 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785510132 654919050 /nfs/dbraw/zinc/91/90/50/654919050.db2.gz MLAVSLPNSCZTTQ-UHFFFAOYSA-N 1 0 393.351 1.722 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=S)N=NC2c2cccs2)C1 ZINC000729980073 654922698 /nfs/dbraw/zinc/92/26/98/654922698.db2.gz KXMJELOXTDHRRQ-LBPRGKRZSA-N 1 0 381.527 1.522 20 0 GDADRO C[C@@]1(C2CC[NH+](C[C@@H](O)c3cccc(Br)c3)CC2)NC(=O)NC1=O ZINC000752300584 654925598 /nfs/dbraw/zinc/92/55/98/654925598.db2.gz HSPCVEBVNPFSNU-PBHICJAKSA-N 1 0 396.285 1.793 20 0 GDADRO NS(=O)(=O)c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C(F)(F)F)c1 ZINC000785798972 654925871 /nfs/dbraw/zinc/92/58/71/654925871.db2.gz ZRMKPHCJOXEIOI-MNOVXSKESA-N 1 0 379.404 1.628 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801525605 654926980 /nfs/dbraw/zinc/92/69/80/654926980.db2.gz XDNKRXRFINAJIM-RBSFLKMASA-N 1 0 375.535 1.646 20 0 GDADRO O=C1OCCN1C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000830092840 654929938 /nfs/dbraw/zinc/92/99/38/654929938.db2.gz OKQXZGBIPFWRCU-HIFRSBDPSA-N 1 0 399.285 1.963 20 0 GDADRO O=C(c1ccnc(Br)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000752738279 654934506 /nfs/dbraw/zinc/93/45/06/654934506.db2.gz CXMXCCZHVJUAEF-UHFFFAOYSA-N 1 0 384.274 1.143 20 0 GDADRO O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc2c[nH+]cn2c1 ZINC000786320559 654937209 /nfs/dbraw/zinc/93/72/09/654937209.db2.gz FSGQATGHFMRBGB-UHFFFAOYSA-N 1 0 376.360 1.378 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(CC)CCS(C)(=O)=O)[C@H](C)C1 ZINC000753067483 654941397 /nfs/dbraw/zinc/94/13/97/654941397.db2.gz LFEFCYPTGYZIMA-HZPDHXFCSA-N 1 0 377.551 1.200 20 0 GDADRO COc1ccc(C(=O)NCCOCC[NH+](C)C)nc1I ZINC000753433490 654950892 /nfs/dbraw/zinc/95/08/92/654950892.db2.gz LMJYZOOTFHILGC-UHFFFAOYSA-N 1 0 393.225 1.003 20 0 GDADRO C[C@H]1C[C@@H]1C[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000754142455 654966333 /nfs/dbraw/zinc/96/63/33/654966333.db2.gz GEDPBDUIEIPKNN-QWHCGFSZSA-N 1 0 376.500 1.037 20 0 GDADRO CC1CC[NH+](CC(=O)NCc2c(I)cnn2C)CC1 ZINC000831079096 654970280 /nfs/dbraw/zinc/97/02/80/654970280.db2.gz KWXLRNIBCFPEJJ-UHFFFAOYSA-N 1 0 376.242 1.373 20 0 GDADRO C[C@H](C(=O)NCc1c(I)cnn1C)[NH+]1CCCCCC1 ZINC000831084185 654971434 /nfs/dbraw/zinc/97/14/34/654971434.db2.gz TXKDNOWDLNCCHK-LLVKDONJSA-N 1 0 390.269 1.905 20 0 GDADRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O)s1 ZINC000754660720 654976680 /nfs/dbraw/zinc/97/66/80/654976680.db2.gz FQGTXSRTLAGBOL-AWEZNQCLSA-N 1 0 375.560 1.883 20 0 GDADRO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cnc1Br ZINC000788168394 654985760 /nfs/dbraw/zinc/98/57/60/654985760.db2.gz HLOFGYJCSORZPH-LBPRGKRZSA-N 1 0 385.306 1.466 20 0 GDADRO COCCS(=O)(=O)CCC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000755156320 654987321 /nfs/dbraw/zinc/98/73/21/654987321.db2.gz FRXKVCKYYUXTOA-NVXWUHKLSA-N 1 0 388.917 1.653 20 0 GDADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000831571030 654987717 /nfs/dbraw/zinc/98/77/17/654987717.db2.gz NPRLUFQLKGQUPR-MRXNPFEDSA-N 1 0 376.258 1.855 20 0 GDADRO 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ZINC000837670786 655191932 /nfs/dbraw/zinc/19/19/32/655191932.db2.gz IGHAOMPYRLPJCK-QWHCGFSZSA-N 1 0 397.317 1.917 20 0 GDADRO Cc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1Br ZINC000764066606 655207524 /nfs/dbraw/zinc/20/75/24/655207524.db2.gz DUDQQWZQAGADKM-WCQYABFASA-N 1 0 384.322 1.579 20 0 GDADRO COC(=O)C(C)(C)CC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000796454848 655212879 /nfs/dbraw/zinc/21/28/79/655212879.db2.gz SRAWGDSSILSJTM-LBPRGKRZSA-N 1 0 391.921 1.883 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000796481355 655213401 /nfs/dbraw/zinc/21/34/01/655213401.db2.gz FFUQPYAWLJALMT-ZYHUDNBSSA-N 1 0 379.324 1.380 20 0 GDADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000812717126 655220049 /nfs/dbraw/zinc/22/00/49/655220049.db2.gz WTCVVSCEWBQBBT-LSDHHAIUSA-N 1 0 377.551 1.893 20 0 GDADRO O=C(Nc1cnsn1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000839455520 655247213 /nfs/dbraw/zinc/24/72/13/655247213.db2.gz FNIVXMHUPWMEAJ-UHFFFAOYSA-N 1 0 379.873 1.911 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1([S@](C)=O)CCC1 ZINC000797903342 655251343 /nfs/dbraw/zinc/25/13/43/655251343.db2.gz CBHDWHYKSDVNQR-MYODQAERSA-N 1 0 393.962 1.595 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc([S@@](C)=O)cc1 ZINC000839544334 655252612 /nfs/dbraw/zinc/25/26/12/655252612.db2.gz RKKQPKDDJCDGMJ-YEBMWUKDSA-N 1 0 389.539 1.831 20 0 GDADRO Nc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1Cl ZINC000839566894 655253431 /nfs/dbraw/zinc/25/34/31/655253431.db2.gz DEKLHBPFTZTFPO-LLVKDONJSA-N 1 0 389.283 1.477 20 0 GDADRO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000798187620 655256317 /nfs/dbraw/zinc/25/63/17/655256317.db2.gz PUNGSZUAHYTYLG-GJZGRUSLSA-N 1 0 377.551 1.797 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCS1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766568264 655270110 /nfs/dbraw/zinc/27/01/10/655270110.db2.gz OAPLBYSZJMFTSZ-SWLSCSKDSA-N 1 0 392.568 1.958 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=S)NCCNS(C)(=O)=O ZINC000766702193 655274087 /nfs/dbraw/zinc/27/40/87/655274087.db2.gz CGEHAAGXORBLEB-LSDHHAIUSA-N 1 0 384.571 1.005 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000766846809 655278057 /nfs/dbraw/zinc/27/80/57/655278057.db2.gz OZSLGOPOCBULEN-UHFFFAOYSA-N 1 0 375.878 1.484 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798945750 655282019 /nfs/dbraw/zinc/28/20/19/655282019.db2.gz NHLNRJXZKINONC-YOEHRIQHSA-N 1 0 375.535 1.647 20 0 GDADRO O=Cc1ccc(OCC(=O)N[C@@H](CO)C[NH+]2CCCCC2)c(Br)c1 ZINC000840458253 655288184 /nfs/dbraw/zinc/28/81/84/655288184.db2.gz WGSHPKRFSMENIP-CQSZACIVSA-N 1 0 399.285 1.603 20 0 GDADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000815127276 655288528 /nfs/dbraw/zinc/28/85/28/655288528.db2.gz ODUXGYDFCILXKP-CYBMUJFWSA-N 1 0 376.316 1.957 20 0 GDADRO O=S(=O)(N1CCC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1)C(F)(F)F ZINC000799341668 655289377 /nfs/dbraw/zinc/28/93/77/655289377.db2.gz VOJSFUFLSPTNBZ-UHFFFAOYSA-N 1 0 380.314 1.832 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@H]1[NH+](C)C ZINC000767315280 655289420 /nfs/dbraw/zinc/28/94/20/655289420.db2.gz MJICUABVGHJMMJ-CVEARBPZSA-N 1 0 386.539 1.427 20 0 GDADRO CN(C[C@@H]1CC[N@H+](CC2(O)CCS(=O)(=O)CC2)C1)C(=O)OC(C)(C)C ZINC000767371345 655290562 /nfs/dbraw/zinc/29/05/62/655290562.db2.gz UWQNWHIGOIDNFK-AWEZNQCLSA-N 1 0 376.519 1.115 20 0 GDADRO C[NH+](C)CCNC(=S)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000840828112 655298667 /nfs/dbraw/zinc/29/86/67/655298667.db2.gz FSJUFMFXDMIABY-UHFFFAOYSA-N 1 0 388.335 1.529 20 0 GDADRO C[C@@](O)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccco1 ZINC000840903248 655303364 /nfs/dbraw/zinc/30/33/64/655303364.db2.gz BICSUJYUNJLZJJ-CQSZACIVSA-N 1 0 389.271 1.687 20 0 GDADRO COc1cc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cnc1Cl ZINC000767769075 655304038 /nfs/dbraw/zinc/30/40/38/655304038.db2.gz IUCDGUOWRQSJSD-CYBMUJFWSA-N 1 0 388.921 1.144 20 0 GDADRO COc1cc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)cnc1Cl ZINC000767803948 655305460 /nfs/dbraw/zinc/30/54/60/655305460.db2.gz IAEXGUHLDVJCJM-UHFFFAOYSA-N 1 0 376.910 1.048 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc1Cl ZINC000840952820 655306116 /nfs/dbraw/zinc/30/61/16/655306116.db2.gz VDZVIIDLHBQCAP-ZDUSSCGKSA-N 1 0 376.910 1.339 20 0 GDADRO COc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cnc1Cl ZINC000767822157 655306245 /nfs/dbraw/zinc/30/62/45/655306245.db2.gz HOLZVLHHJQOHKI-FPMFFAJLSA-N 1 0 389.905 1.616 20 0 GDADRO COC(=O)[C@@H]1CN(Cc2nc3ccccn3c2Br)CC[N@H+](C)C1 ZINC000840959471 655306352 /nfs/dbraw/zinc/30/63/52/655306352.db2.gz WECSBFGDEVURBI-LBPRGKRZSA-N 1 0 381.274 1.633 20 0 GDADRO CN(CC(F)(F)Br)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841130766 655309258 /nfs/dbraw/zinc/30/92/58/655309258.db2.gz VDILJWNAHKVNKA-UHFFFAOYSA-N 1 0 376.201 1.717 20 0 GDADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000841133665 655309690 /nfs/dbraw/zinc/30/96/90/655309690.db2.gz OKOWULPCIWCDPZ-GFCCVEGCSA-N 1 0 375.878 1.637 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000841133284 655309735 /nfs/dbraw/zinc/30/97/35/655309735.db2.gz LVKLQMKJDZYXRC-RISCZKNCSA-N 1 0 389.905 1.883 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000841178183 655312213 /nfs/dbraw/zinc/31/22/13/655312213.db2.gz PBNMNCATUHQLOW-SNVBAGLBSA-N 1 0 377.413 1.111 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841181554 655312376 /nfs/dbraw/zinc/31/23/76/655312376.db2.gz IZBBUJRTGBDLGK-SNVBAGLBSA-N 1 0 386.246 1.258 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cnc(Br)cc2C)CC1 ZINC000841203911 655313949 /nfs/dbraw/zinc/31/39/49/655313949.db2.gz PCAJKPKSJQENGC-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO Cc1c(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cnc(Cl)c1Br ZINC000841209529 655314156 /nfs/dbraw/zinc/31/41/56/655314156.db2.gz NASUTLOEHGWWNT-YUMQZZPRSA-N 1 0 389.681 1.953 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841210049 655314411 /nfs/dbraw/zinc/31/44/11/655314411.db2.gz PEDQEPFSVSDWGG-NXEZZACHSA-N 1 0 398.257 1.355 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841234336 655316110 /nfs/dbraw/zinc/31/61/10/655316110.db2.gz NTBQWHNETYKKEQ-MRXNPFEDSA-N 1 0 398.257 1.356 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cnc(Cl)c1Br ZINC000841233791 655316112 /nfs/dbraw/zinc/31/61/12/655316112.db2.gz HJZLMGODPHLRLF-CQSZACIVSA-N 1 0 389.681 1.942 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000841244373 655316930 /nfs/dbraw/zinc/31/69/30/655316930.db2.gz FKZBHDZCNCMVGV-GFCCVEGCSA-N 1 0 381.274 1.631 20 0 GDADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000841246993 655317060 /nfs/dbraw/zinc/31/70/60/655317060.db2.gz LFPYEBYFCCGIEO-LBPRGKRZSA-N 1 0 381.274 1.631 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000841259588 655317875 /nfs/dbraw/zinc/31/78/75/655317875.db2.gz HZFPCVSCLHKXNN-OLZOCXBDSA-N 1 0 395.301 1.939 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)NCCS(=O)(=O)CCc1ccccc1)C(F)(F)F ZINC000841332278 655319182 /nfs/dbraw/zinc/31/91/82/655319182.db2.gz CPLSPJOEBZJZSO-CYBMUJFWSA-N 1 0 381.420 1.223 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000841377572 655319945 /nfs/dbraw/zinc/31/99/45/655319945.db2.gz QIKGZQXGYNDSKN-UHFFFAOYSA-N 1 0 375.441 1.050 20 0 GDADRO C[S@](=O)CCC[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816552452 655328967 /nfs/dbraw/zinc/32/89/67/655328967.db2.gz MXYOBSRNDWDYPU-SXBQZSJRSA-N 1 0 375.535 1.108 20 0 GDADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816599875 655329755 /nfs/dbraw/zinc/32/97/55/655329755.db2.gz BUWJVLSXMRSPOW-GUTXKFCHSA-N 1 0 375.535 1.549 20 0 GDADRO O=C(CNC(=O)c1ccnc(Br)c1)NCC[NH+]1CCCCCC1 ZINC000817162981 655347745 /nfs/dbraw/zinc/34/77/45/655347745.db2.gz CJPVWXKYUPNZNR-UHFFFAOYSA-N 1 0 383.290 1.566 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000841795182 655353762 /nfs/dbraw/zinc/35/37/62/655353762.db2.gz NSGMFSIPGDWGEV-HNNXBMFYSA-N 1 0 399.308 1.820 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)NC[C@@H]2CSCCS2)C1)[C@H]1CCC[NH2+]1 ZINC000841852415 655354032 /nfs/dbraw/zinc/35/40/32/655354032.db2.gz COUBNIBDGZNSOK-RRFJBIMHSA-N 1 0 386.587 1.125 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000841814682 655354046 /nfs/dbraw/zinc/35/40/46/655354046.db2.gz WPZIKTMMXZUAPR-STQMWFEESA-N 1 0 382.477 1.068 20 0 GDADRO C[C@H](NC(=O)NCCN1CC[NH2+]CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000841920545 655354721 /nfs/dbraw/zinc/35/47/21/655354721.db2.gz KXKZLQSGXBRMOI-NHYWBVRUSA-N 1 0 375.300 1.620 20 0 GDADRO O=C(NC[C@@H](O)c1ccccc1Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842002460 655355148 /nfs/dbraw/zinc/35/51/48/655355148.db2.gz FNMORLZAPFTHJS-VXGBXAGGSA-N 1 0 378.217 1.779 20 0 GDADRO CN(C(=O)C(=O)NCCc1ccc(Br)s1)C1CCC([NH3+])CC1 ZINC000842110245 655356529 /nfs/dbraw/zinc/35/65/29/655356529.db2.gz GJMHCTKPZYSZKK-UHFFFAOYSA-N 1 0 388.331 1.898 20 0 GDADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000842184754 655357996 /nfs/dbraw/zinc/35/79/96/655357996.db2.gz VRCXCQGKHDSTDN-OWCLPIDISA-N 1 0 379.551 1.470 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000842202157 655358178 /nfs/dbraw/zinc/35/81/78/655358178.db2.gz LPVDMFLPMLIQSP-UHFFFAOYSA-N 1 0 388.331 1.772 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000842217108 655359401 /nfs/dbraw/zinc/35/94/01/655359401.db2.gz SONUCNINQBKSAT-ZDUSSCGKSA-N 1 0 386.265 1.505 20 0 GDADRO COC[C@@]1(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)CC[NH2+]C1 ZINC000817928141 655362459 /nfs/dbraw/zinc/36/24/59/655362459.db2.gz QUJCSODGKCLQEM-NVXWUHKLSA-N 1 0 383.286 1.975 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000817944907 655362778 /nfs/dbraw/zinc/36/27/78/655362778.db2.gz OVPIOSNDJSYDNT-WFASDCNBSA-N 1 0 396.285 1.299 20 0 GDADRO CCC[NH2+]CCN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817962023 655363066 /nfs/dbraw/zinc/36/30/66/655363066.db2.gz GPCWVDXEDIKGSV-CYBMUJFWSA-N 1 0 377.532 1.062 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000817991089 655363639 /nfs/dbraw/zinc/36/36/39/655363639.db2.gz KLSSURVFEKSPBS-XUJVJEKNSA-N 1 0 398.301 1.137 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)c2ccccc2Br)C[C@@H](C)[NH2+]1 ZINC000817993197 655363737 /nfs/dbraw/zinc/36/37/37/655363737.db2.gz CPKJOISFTNHRPT-JMSVASOKSA-N 1 0 398.301 1.150 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C[NH3+])C(C)(C)C)c1 ZINC000818003685 655364198 /nfs/dbraw/zinc/36/41/98/655364198.db2.gz ZVBHFQRVYWXFBY-CQSZACIVSA-N 1 0 391.921 1.368 20 0 GDADRO O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016472 655364760 /nfs/dbraw/zinc/36/47/60/655364760.db2.gz WECBEFYROKOTPY-KRWDZBQOSA-N 1 0 383.539 1.891 20 0 GDADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016093 655364768 /nfs/dbraw/zinc/36/47/68/655364768.db2.gz AWAJOGIIPVNDQP-MRXNPFEDSA-N 1 0 376.258 1.998 20 0 GDADRO O=S(=O)(/C=C\c1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000842482322 655367428 /nfs/dbraw/zinc/36/74/28/655367428.db2.gz UABBAQMCJNDNGP-PIZKADEWSA-N 1 0 375.288 1.718 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1Br ZINC000842484306 655367825 /nfs/dbraw/zinc/36/78/25/655367825.db2.gz APSFTRTWSSBCTQ-AWEZNQCLSA-N 1 0 375.288 1.974 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1 ZINC000842512573 655368630 /nfs/dbraw/zinc/36/86/30/655368630.db2.gz RZDLUOZRTAXQIV-UHFFFAOYSA-N 1 0 381.889 1.199 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000842696010 655371573 /nfs/dbraw/zinc/37/15/73/655371573.db2.gz IRQUXTBDRNCKOD-SNVBAGLBSA-N 1 0 391.287 1.595 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)c(F)cc1Br ZINC000842714360 655372864 /nfs/dbraw/zinc/37/28/64/655372864.db2.gz PKBOENXVMZOTMJ-QMMMGPOBSA-N 1 0 395.250 1.357 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)[C@H]1C[NH3+] ZINC000842721563 655373518 /nfs/dbraw/zinc/37/35/18/655373518.db2.gz JSHQFAKHLYYRGN-MFKMUULPSA-N 1 0 379.404 1.935 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1Cl ZINC000842722997 655373642 /nfs/dbraw/zinc/37/36/42/655373642.db2.gz TZGHONVQYFKGES-CQSZACIVSA-N 1 0 394.946 1.929 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000842733516 655374208 /nfs/dbraw/zinc/37/42/08/655374208.db2.gz HLGLACCURJVJQQ-MNOVXSKESA-N 1 0 398.428 1.495 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])c(Br)cc1F ZINC000842733091 655374268 /nfs/dbraw/zinc/37/42/68/655374268.db2.gz UNVWTLKGBVHTIM-MRVPVSSYSA-N 1 0 395.250 1.487 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)/C=C/c2cccc(Br)c2)CCO1 ZINC000842744953 655374956 /nfs/dbraw/zinc/37/49/56/655374956.db2.gz YGZUOSRYBZOCET-MRMKPGFVSA-N 1 0 375.288 1.798 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1Cl ZINC000818554122 655376191 /nfs/dbraw/zinc/37/61/91/655376191.db2.gz JEGGKXOEIDGXJN-PHIMTYICSA-N 1 0 375.878 1.344 20 0 GDADRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC[NH2+]1 ZINC000842776409 655376294 /nfs/dbraw/zinc/37/62/94/655376294.db2.gz KPYMKDQCSPAXOW-CYBMUJFWSA-N 1 0 379.404 1.806 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000818594348 655376936 /nfs/dbraw/zinc/37/69/36/655376936.db2.gz LSJQQNXUNNIKHP-KRWDZBQOSA-N 1 0 385.917 1.935 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000842790002 655377113 /nfs/dbraw/zinc/37/71/13/655377113.db2.gz BAEVAEQTMDMXJO-YUMQZZPRSA-N 1 0 397.316 1.655 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000842794761 655377701 /nfs/dbraw/zinc/37/77/01/655377701.db2.gz WOQBNQOYHIRLGY-RKDXNWHRSA-N 1 0 381.267 1.955 20 0 GDADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[NH2+]1 ZINC000842814557 655378886 /nfs/dbraw/zinc/37/88/86/655378886.db2.gz IZJUKAKJFLUGBQ-UWVGGRQHSA-N 1 0 386.417 1.399 20 0 GDADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000842816502 655379036 /nfs/dbraw/zinc/37/90/36/655379036.db2.gz SCTGTXCMVWRRBQ-SSDOTTSWSA-N 1 0 385.305 1.574 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)s1 ZINC000842832996 655380168 /nfs/dbraw/zinc/38/01/68/655380168.db2.gz XFPUSFCKIFHYKL-QMMMGPOBSA-N 1 0 397.316 1.718 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000842833382 655380281 /nfs/dbraw/zinc/38/02/81/655380281.db2.gz KPTPWKHYLDYUFC-LDYMZIIASA-N 1 0 381.267 1.873 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000842834303 655380350 /nfs/dbraw/zinc/38/03/50/655380350.db2.gz QUZYFAJKPGKWHR-LDYMZIIASA-N 1 0 381.267 1.873 20 0 GDADRO O=S(=O)(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C(F)F)c1 ZINC000842853184 655380987 /nfs/dbraw/zinc/38/09/87/655380987.db2.gz URZWTCSMXGBPPK-LBPRGKRZSA-N 1 0 387.374 1.739 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)CCC[NH2+]1 ZINC000842859088 655381196 /nfs/dbraw/zinc/38/11/96/655381196.db2.gz GIUWOTHDMXDFEN-INIZCTEOSA-N 1 0 389.905 1.089 20 0 GDADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1ccccc1S(=O)(=O)C(F)F ZINC000842872133 655381793 /nfs/dbraw/zinc/38/17/93/655381793.db2.gz YPNTVIFCIVRVIP-LBPRGKRZSA-N 1 0 380.438 1.103 20 0 GDADRO Cn1cc(N2CC[C@H]([NH2+]C[C@@H](O)c3ccccc3Br)C2=O)cn1 ZINC000819080120 655384861 /nfs/dbraw/zinc/38/48/61/655384861.db2.gz CMXPOAGIHDZORS-LSDHHAIUSA-N 1 0 379.258 1.611 20 0 GDADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@@H](O)c3ccc(Br)cc3)C2=O)cn1 ZINC000819080552 655384883 /nfs/dbraw/zinc/38/48/83/655384883.db2.gz GUJBRCWUCDJFMA-HUUCEWRRSA-N 1 0 379.258 1.611 20 0 GDADRO COCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)CC2 ZINC000819154161 655387030 /nfs/dbraw/zinc/38/70/30/655387030.db2.gz OFOHUBRCWCWUAX-SMDDNHRTSA-N 1 0 381.274 1.825 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cnc(Cl)c1Br ZINC000843049232 655387372 /nfs/dbraw/zinc/38/73/72/655387372.db2.gz HWYRUYMJCXFTLI-BQBZGAKWSA-N 1 0 377.670 1.986 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1cccs1 ZINC000843096923 655388280 /nfs/dbraw/zinc/38/82/80/655388280.db2.gz GDVSTSIUKBMPHA-BXUZGUMPSA-N 1 0 393.889 1.998 20 0 GDADRO Brc1cnn(Cc2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)c1 ZINC000843190412 655389398 /nfs/dbraw/zinc/38/93/98/655389398.db2.gz NGZZOSFBPSQCPI-UHFFFAOYSA-N 1 0 379.222 1.260 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000819308502 655389551 /nfs/dbraw/zinc/38/95/51/655389551.db2.gz VWQKOCNFWTUKDN-CABCVRRESA-N 1 0 391.331 1.886 20 0 GDADRO Cn1nncc1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000819314721 655389728 /nfs/dbraw/zinc/38/97/28/655389728.db2.gz ISVSAICKJIIRDS-LLVKDONJSA-N 1 0 375.654 1.761 20 0 GDADRO Ic1cnc2c(-c3noc([C@@H]4C[NH2+]CCO4)n3)cccn12 ZINC000843224191 655389948 /nfs/dbraw/zinc/38/99/48/655389948.db2.gz LFXABPCEXGRKGZ-VIFPVBQESA-N 1 0 397.176 1.650 20 0 GDADRO Cn1ncc(CCC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000819331058 655390095 /nfs/dbraw/zinc/39/00/95/655390095.db2.gz ITKVDZMNWVPNOC-AWEZNQCLSA-N 1 0 387.253 1.679 20 0 GDADRO [NH3+]C1CCC(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC1 ZINC000843325398 655392615 /nfs/dbraw/zinc/39/26/15/655392615.db2.gz KGYXTISLHHTOMG-UHFFFAOYSA-N 1 0 380.495 1.298 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 ZINC000843339613 655392948 /nfs/dbraw/zinc/39/29/48/655392948.db2.gz ZPSRBEOSYGQCDV-LBPRGKRZSA-N 1 0 388.921 1.250 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843345179 655393090 /nfs/dbraw/zinc/39/30/90/655393090.db2.gz YDPZEFCETYXRCW-RYUDHWBXSA-N 1 0 376.910 1.282 20 0 GDADRO CCCN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000843349403 655393391 /nfs/dbraw/zinc/39/33/91/655393391.db2.gz YLVZCMSTAUFFOE-CYBMUJFWSA-N 1 0 375.441 1.695 20 0 GDADRO C[C@H](CC(=O)N(C)CC(C)(C)C[NH3+])NS(=O)(=O)c1cccnc1Cl ZINC000843355739 655393618 /nfs/dbraw/zinc/39/36/18/655393618.db2.gz IQJNQNQAYZMEDH-LLVKDONJSA-N 1 0 376.910 1.235 20 0 GDADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc(Cl)n1 ZINC000843380160 655394051 /nfs/dbraw/zinc/39/40/51/655394051.db2.gz MZMLYMXLICELCQ-ZIAGYGMSSA-N 1 0 388.921 1.364 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]CCCN2CCCS2(=O)=O)CN(C(=O)OC(C)(C)C)C1 ZINC000843399535 655394398 /nfs/dbraw/zinc/39/43/98/655394398.db2.gz KSYYVLBXABOCQE-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)CCOC1C[NH2+]C1 ZINC000843437239 655394864 /nfs/dbraw/zinc/39/48/64/655394864.db2.gz RXYDZDZURSGWTI-UHFFFAOYSA-N 1 0 377.413 1.432 20 0 GDADRO C[C@@H]1OC(=O)N[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000819736975 655395079 /nfs/dbraw/zinc/39/50/79/655395079.db2.gz RMIWHYSOEQDQBD-IINYFYTJSA-N 1 0 399.289 1.882 20 0 GDADRO CN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)[C@H](C[NH3+])C1CC1 ZINC000843498596 655397047 /nfs/dbraw/zinc/39/70/47/655397047.db2.gz QZHSZAIUKYDRTR-CYBMUJFWSA-N 1 0 380.495 1.107 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000843505641 655397220 /nfs/dbraw/zinc/39/72/20/655397220.db2.gz WHLITOYYBCBGPB-MNOVXSKESA-N 1 0 377.894 1.120 20 0 GDADRO [NH3+]CCCCCCNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000843509659 655397327 /nfs/dbraw/zinc/39/73/27/655397327.db2.gz NNCUKFLEWJBWEU-UHFFFAOYSA-N 1 0 391.331 1.999 20 0 GDADRO C[NH+]1CCN(CCNC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000820109746 655403030 /nfs/dbraw/zinc/40/30/30/655403030.db2.gz AYUKOPRFKZUTIW-LLVKDONJSA-N 1 0 383.128 1.246 20 0 GDADRO COc1cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cnc1Br ZINC000844032123 655405440 /nfs/dbraw/zinc/40/54/40/655405440.db2.gz APFYYQKGTBJCKA-SNVBAGLBSA-N 1 0 385.262 1.045 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000844035311 655405585 /nfs/dbraw/zinc/40/55/85/655405585.db2.gz NFCWKFJRRGUFOB-NHYWBVRUSA-N 1 0 388.295 1.995 20 0 GDADRO CC1(NC(=O)c2ccc3ncc(I)n3c2)CC[NH2+]CC1 ZINC000844196980 655408534 /nfs/dbraw/zinc/40/85/34/655408534.db2.gz QIENWKZENLJUDG-UHFFFAOYSA-N 1 0 384.221 1.811 20 0 GDADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000844227417 655408753 /nfs/dbraw/zinc/40/87/53/655408753.db2.gz YEXUQOQWXMHCOO-LLVKDONJSA-N 1 0 384.889 1.160 20 0 GDADRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000844321022 655409438 /nfs/dbraw/zinc/40/94/38/655409438.db2.gz BAOLTTCAMCFZMG-DGCLKSJQSA-N 1 0 389.905 1.944 20 0 GDADRO Cn1c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc2cc(Br)cnc21 ZINC000820989855 655420351 /nfs/dbraw/zinc/42/03/51/655420351.db2.gz COSZAEAVEIVBPU-AWEZNQCLSA-N 1 0 395.301 1.912 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Br)cn2ncnc12 ZINC000821052154 655421475 /nfs/dbraw/zinc/42/14/75/655421475.db2.gz KBBJOZFSKRAIOA-LBPRGKRZSA-N 1 0 382.262 1.068 20 0 GDADRO CCn1ncc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1Br ZINC000821143567 655423443 /nfs/dbraw/zinc/42/34/43/655423443.db2.gz MIFMMWWTNIJBQV-FPMFFAJLSA-N 1 0 385.306 1.989 20 0 GDADRO C[N@@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC12CCCCC2 ZINC000821231620 655424737 /nfs/dbraw/zinc/42/47/37/655424737.db2.gz GWVGJEMFEQDMRT-UHFFFAOYSA-N 1 0 375.878 1.671 20 0 GDADRO CCn1ncc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1Br ZINC000821419420 655429802 /nfs/dbraw/zinc/42/98/02/655429802.db2.gz ILQJWTYHJKMHFH-UHFFFAOYSA-N 1 0 396.289 1.931 20 0 GDADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000845957772 655440165 /nfs/dbraw/zinc/44/01/65/655440165.db2.gz XAGFCQBKEDKZFT-UHFFFAOYSA-N 1 0 380.507 1.485 20 0 GDADRO CN(C1CCOCC1)S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000845956608 655440170 /nfs/dbraw/zinc/44/01/70/655440170.db2.gz ZMYUQJBVSIATDO-HNNXBMFYSA-N 1 0 389.949 1.930 20 0 GDADRO CN(C1CCOCC1)S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000845956609 655440193 /nfs/dbraw/zinc/44/01/93/655440193.db2.gz ZMYUQJBVSIATDO-OAHLLOKOSA-N 1 0 389.949 1.930 20 0 GDADRO [NH3+]CCCCCCN1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000846217152 655449996 /nfs/dbraw/zinc/44/99/96/655449996.db2.gz BJNCVIDWIKXJJS-UHFFFAOYSA-N 1 0 383.543 1.517 20 0 GDADRO COC(=O)[C@H](CNC(=O)C[NH+]1CCCC1)Oc1ccc(Br)cc1 ZINC000822804414 655451413 /nfs/dbraw/zinc/45/14/13/655451413.db2.gz YFUZUWVKYVXQEQ-AWEZNQCLSA-N 1 0 385.258 1.582 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC000823021378 655455466 /nfs/dbraw/zinc/45/54/66/655455466.db2.gz VCGNRIMIJAVOKF-LSDHHAIUSA-N 1 0 376.519 1.113 20 0 GDADRO Cn1ncc(-c2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)c1Br ZINC000823100039 655456663 /nfs/dbraw/zinc/45/66/63/655456663.db2.gz YDSUZIORLIHALP-QMMMGPOBSA-N 1 0 379.222 1.416 20 0 GDADRO O=C(Nc1nc(Cc2nc(N3CC[NH2+]CC3)no2)cs1)c1cccs1 ZINC000823320665 655460334 /nfs/dbraw/zinc/46/03/34/655460334.db2.gz GFBMDHGMMWVDBM-UHFFFAOYSA-N 1 0 376.467 1.840 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000823447215 655463235 /nfs/dbraw/zinc/46/32/35/655463235.db2.gz DPFCISCLXNRODI-AWEZNQCLSA-N 1 0 377.551 1.797 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000823477252 655463718 /nfs/dbraw/zinc/46/37/18/655463718.db2.gz OIJNQDVCGZBOEW-HUUCEWRRSA-N 1 0 377.551 1.797 20 0 GDADRO Cc1c(Br)nccc1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000823572696 655465170 /nfs/dbraw/zinc/46/51/70/655465170.db2.gz ZLHVYHFFCRBIEQ-UHFFFAOYSA-N 1 0 386.294 1.636 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3nc(F)ccc3Br)CC2)C1 ZINC000847499803 655470558 /nfs/dbraw/zinc/47/05/58/655470558.db2.gz VOHYLRSJJDNBCB-GFCCVEGCSA-N 1 0 385.281 1.835 20 0 GDADRO C[C@H]1C[C@@H](C[NH2+]CC2CN(S(C)(=O)=O)C2)CCN1C(=O)OC(C)(C)C ZINC000824214258 655472605 /nfs/dbraw/zinc/47/26/05/655472605.db2.gz DMFWMSGFNRKQRN-KBPBESRZSA-N 1 0 375.535 1.503 20 0 GDADRO C[C@@H]1C[C@H](C[NH2+]C2CC(NS(C)(=O)=O)C2)CCN1C(=O)OC(C)(C)C ZINC000824344767 655474448 /nfs/dbraw/zinc/47/44/48/655474448.db2.gz TXRWSVKEQFDECG-LMRVLLHPSA-N 1 0 375.535 1.692 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]CCn1cc(Br)ccc1=O ZINC000824544107 655477078 /nfs/dbraw/zinc/47/70/78/655477078.db2.gz UBNWMBOZGZGLIR-UHFFFAOYSA-N 1 0 390.079 1.897 20 0 GDADRO [NH3+]C[C@H](NC(=O)c1ccc2ncc(I)n2c1)C(F)(F)F ZINC000848437822 655489830 /nfs/dbraw/zinc/48/98/30/655489830.db2.gz NIHGPPHXIKLSLO-ZETCQYMHSA-N 1 0 398.126 1.558 20 0 GDADRO O=C(NCCC1SCCS1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826661424 655499815 /nfs/dbraw/zinc/49/98/15/655499815.db2.gz BJHDRYZVGPESCM-HNNXBMFYSA-N 1 0 379.551 1.690 20 0 GDADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C[C@@H]1C ZINC000826974987 655503934 /nfs/dbraw/zinc/50/39/34/655503934.db2.gz YEHGXZDYQZXILU-BETUJISGSA-N 1 0 389.543 1.402 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)c3cc[nH]c(=O)c3Br)CC2)CC1 ZINC000827440254 655511281 /nfs/dbraw/zinc/51/12/81/655511281.db2.gz QSJHBYUZEGCMNV-UHFFFAOYSA-N 1 0 383.290 1.402 20 0 GDADRO CC(=O)N1CCO[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000827460261 655511738 /nfs/dbraw/zinc/51/17/38/655511738.db2.gz VRCLTSQXAJFAMP-HZPDHXFCSA-N 1 0 388.295 1.960 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000827506719 655512495 /nfs/dbraw/zinc/51/24/95/655512495.db2.gz KUKSXIWDSNBQFR-UHFFFAOYSA-N 1 0 391.260 1.893 20 0 GDADRO CCOc1ccc(Br)c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1F ZINC000827749123 655515889 /nfs/dbraw/zinc/51/58/89/655515889.db2.gz DTRHGYUMRVNRSN-JTQLQIEISA-N 1 0 375.238 1.783 20 0 GDADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3c[nH]nc3Cl)CC2)CC1 ZINC000827757043 655515985 /nfs/dbraw/zinc/51/59/85/655515985.db2.gz ZMQHQNUKGZCNRH-UHFFFAOYSA-N 1 0 375.926 1.244 20 0 GDADRO CC[C@H](C)NC(=[NH2+])NCCNS(=O)(=O)c1cc(C)ccc1Br ZINC000849049179 655517091 /nfs/dbraw/zinc/51/70/91/655517091.db2.gz FHMRQFIWSDPMSW-NSHDSACASA-N 1 0 391.335 1.948 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000828082958 655519042 /nfs/dbraw/zinc/51/90/42/655519042.db2.gz PZLPCIMCALAEFY-VIFPVBQESA-N 1 0 381.285 1.129 20 0 GDADRO Ic1cnnn1C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000849352965 655522499 /nfs/dbraw/zinc/52/24/99/655522499.db2.gz UEWAXAJKJKZFPR-LLVKDONJSA-N 1 0 375.258 1.519 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2C1 ZINC000849380442 655524474 /nfs/dbraw/zinc/52/44/74/655524474.db2.gz WXGRASVUHDKOCN-LSDHHAIUSA-N 1 0 385.555 1.804 20 0 GDADRO O=S(=O)(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)nc1 ZINC000849427276 655533392 /nfs/dbraw/zinc/53/33/92/655533392.db2.gz LSQSVTLOMGQKHF-HNNXBMFYSA-N 1 0 381.885 1.780 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCS(=O)(=O)CC(F)(F)F)cc1 ZINC000849441637 655536068 /nfs/dbraw/zinc/53/60/68/655536068.db2.gz KTHDGFIURRSHGT-UHFFFAOYSA-N 1 0 388.433 1.004 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cc(Br)no2)cn1 ZINC000849598689 655542454 /nfs/dbraw/zinc/54/24/54/655542454.db2.gz FFEIZEARSSETII-OLZOCXBDSA-N 1 0 382.262 1.522 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2nn(C)cc2Br)cn1 ZINC000849598865 655542671 /nfs/dbraw/zinc/54/26/71/655542671.db2.gz HUHVQCJNGNWWRT-OLZOCXBDSA-N 1 0 395.305 1.268 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000850592610 655559743 /nfs/dbraw/zinc/55/97/43/655559743.db2.gz VHYAWSUDCLXHTJ-LBPRGKRZSA-N 1 0 387.527 1.600 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](C)C[NH2+]C)c1 ZINC000850593526 655559885 /nfs/dbraw/zinc/55/98/85/655559885.db2.gz VBFPFPXPSCHYJD-SECBINFHSA-N 1 0 379.276 1.512 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(Cl)cc1Cl ZINC000850593178 655559888 /nfs/dbraw/zinc/55/98/88/655559888.db2.gz JRLOJRAFMWLZQR-GHMZBOCLSA-N 1 0 385.244 1.840 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850629008 655561761 /nfs/dbraw/zinc/56/17/61/655561761.db2.gz WSCXDWLUJTVEJG-UHFFFAOYSA-N 1 0 382.877 1.156 20 0 GDADRO O=C(NCCC1SCCS1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000850667602 655563411 /nfs/dbraw/zinc/56/34/11/655563411.db2.gz VNNBKTXKFWQPLN-ZFWWWQNUSA-N 1 0 383.583 1.774 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000850857500 655570220 /nfs/dbraw/zinc/57/02/20/655570220.db2.gz XPKCXOJMWPXMDY-UHFFFAOYSA-N 1 0 396.241 1.027 20 0 GDADRO C[C@@H]1CCN(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H](C[NH3+])C1 ZINC000851657736 655590100 /nfs/dbraw/zinc/59/01/00/655590100.db2.gz LDUMJIZOXACLOA-PWSUYJOCSA-N 1 0 386.440 1.069 20 0 GDADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCn2ncc(Br)c2C1 ZINC000851664327 655590194 /nfs/dbraw/zinc/59/01/94/655590194.db2.gz XAQKALQGQUWCEU-UHFFFAOYSA-N 1 0 376.258 1.974 20 0 GDADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000851852373 655599788 /nfs/dbraw/zinc/59/97/88/655599788.db2.gz NDPMBSHTRQMXIF-LLVKDONJSA-N 1 0 386.861 1.096 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1(Br)Br ZINC000852881832 655625272 /nfs/dbraw/zinc/62/52/72/655625272.db2.gz QOXHHEBLFZJCJW-SVRRBLITSA-N 1 0 376.039 1.996 20 0 GDADRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](CCn2cnc(Br)n2)C1 ZINC000852205926 655610137 /nfs/dbraw/zinc/61/01/37/655610137.db2.gz WGPHFAFKHRPMEI-CQSZACIVSA-N 1 0 378.274 1.679 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1sc2c(c1Br)CNC2 ZINC000852798441 655622908 /nfs/dbraw/zinc/62/29/08/655622908.db2.gz KGEXGUJHZYUPBH-NXEZZACHSA-N 1 0 386.315 1.707 20 0 GDADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852853472 655624122 /nfs/dbraw/zinc/62/41/22/655624122.db2.gz GOVCGBUVZAFKPQ-TZMCWYRMSA-N 1 0 388.251 1.687 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000852865960 655624543 /nfs/dbraw/zinc/62/45/43/655624543.db2.gz ANWQJODFWJLDBK-GFCCVEGCSA-N 1 0 377.304 1.956 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000852916361 655628166 /nfs/dbraw/zinc/62/81/66/655628166.db2.gz GEMIETARVVPQEE-CQSZACIVSA-N 1 0 384.274 1.156 20 0 GDADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@]1(F)CC[NH2+]C1)C2 ZINC000852925075 655628563 /nfs/dbraw/zinc/62/85/63/655628563.db2.gz YMIOQALAOIVEDS-ZDUSSCGKSA-N 1 0 377.235 1.841 20 0 GDADRO CCC(=O)c1ccc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(S(=O)(=O)NC)c1 ZINC000853460787 655639990 /nfs/dbraw/zinc/63/99/90/655639990.db2.gz KCSOCTBKHNIVOU-GOEBONIOSA-N 1 0 385.555 1.669 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000854296489 655660365 /nfs/dbraw/zinc/66/03/65/655660365.db2.gz IQFHFJXDXACCFJ-LBPRGKRZSA-N 1 0 397.155 1.588 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1(Br)Br ZINC000854353704 655663817 /nfs/dbraw/zinc/66/38/17/655663817.db2.gz DCRBSCXVYGKEOH-PWSUYJOCSA-N 1 0 395.139 1.389 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)C[NH+](C)C ZINC000854596004 655671988 /nfs/dbraw/zinc/67/19/88/655671988.db2.gz DPDUWITXFPYEJJ-SECBINFHSA-N 1 0 378.292 1.024 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1nccn2c(Br)cnc12 ZINC000854642440 655673352 /nfs/dbraw/zinc/67/33/52/655673352.db2.gz OSFFYYINRSOYFF-NEPJUHHUSA-N 1 0 394.273 1.427 20 0 GDADRO C[C@H](CCNC(=O)c1cc(S(N)(=O)=O)ccc1Br)[NH+](C)C ZINC000855413490 655693799 /nfs/dbraw/zinc/69/37/99/655693799.db2.gz MBYDUWGFOZNLNQ-SECBINFHSA-N 1 0 378.292 1.167 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000855578801 655697755 /nfs/dbraw/zinc/69/77/55/655697755.db2.gz FQFFDYFPDOGQPG-GFCCVEGCSA-N 1 0 388.477 1.297 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1nc(F)ccc1Br ZINC000855698439 655699906 /nfs/dbraw/zinc/69/99/06/655699906.db2.gz QATPJFHCRMZZPD-UHFFFAOYSA-N 1 0 375.242 1.075 20 0 GDADRO O=C(c1c(Br)nc2n1CCC2)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856257764 655711027 /nfs/dbraw/zinc/71/10/27/655711027.db2.gz YZWFRSQYXNTBAO-GFCCVEGCSA-N 1 0 383.290 1.263 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000856797729 655719326 /nfs/dbraw/zinc/71/93/26/655719326.db2.gz KWWYALNLWNUOQT-JKSUJKDBSA-N 1 0 375.406 1.750 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856817249 655719616 /nfs/dbraw/zinc/71/96/16/655719616.db2.gz WAXOFBOXEDGSBF-PBHICJAKSA-N 1 0 375.535 1.695 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CC2(Cl)Cl)CC1 ZINC000856945979 655722972 /nfs/dbraw/zinc/72/29/72/655722972.db2.gz CUVLRFHBECFKRZ-STQMWFEESA-N 1 0 377.316 1.518 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1Cl ZINC000857235675 655731671 /nfs/dbraw/zinc/73/16/71/655731671.db2.gz BWKGGKVLOXTLLO-IINYFYTJSA-N 1 0 378.903 1.245 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C2 ZINC000857235820 655731700 /nfs/dbraw/zinc/73/17/00/655731700.db2.gz VRKWUSRMUTZLKX-IINYFYTJSA-N 1 0 377.388 1.689 20 0 GDADRO COC(=O)CCNC(=O)CC[NH2+]Cc1ccccc1I ZINC000858292796 655746762 /nfs/dbraw/zinc/74/67/62/655746762.db2.gz MWHJHSBQQNHMKS-UHFFFAOYSA-N 1 0 390.221 1.450 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1)C(F)(F)F ZINC000858612087 655750226 /nfs/dbraw/zinc/75/02/26/655750226.db2.gz GWTNJXDQRXMJKV-GXFFZTMASA-N 1 0 377.388 1.560 20 0 GDADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858614683 655750477 /nfs/dbraw/zinc/75/04/77/655750477.db2.gz ACHNBCHTIHTRGN-VIFPVBQESA-N 1 0 393.309 1.698 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c(Br)o1 ZINC000858620636 655750867 /nfs/dbraw/zinc/75/08/67/655750867.db2.gz XUOFAKCKAOZORD-SNVBAGLBSA-N 1 0 393.259 1.392 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000858626380 655751140 /nfs/dbraw/zinc/75/11/40/655751140.db2.gz AKQIVJPPVDCQKW-UHFFFAOYSA-N 1 0 387.889 1.753 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000858627150 655751158 /nfs/dbraw/zinc/75/11/58/655751158.db2.gz QOQBOBKHCYTTDR-UHFFFAOYSA-N 1 0 384.907 1.353 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)NCCC[NH+]2CCCC2)c1)C(F)(F)F ZINC000858883930 655754648 /nfs/dbraw/zinc/75/46/48/655754648.db2.gz ZCSCROHVWNXXTE-UHFFFAOYSA-N 1 0 379.404 1.952 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(Br)cnc2F)CC1 ZINC000859185895 655768291 /nfs/dbraw/zinc/76/82/91/655768291.db2.gz WCUGAGANPCCIID-UHFFFAOYSA-N 1 0 399.264 1.363 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000859194892 655768974 /nfs/dbraw/zinc/76/89/74/655768974.db2.gz QLPOMFSFDUGVAS-GFCCVEGCSA-N 1 0 379.404 1.902 20 0 GDADRO CS(=O)(=O)CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000860049981 655794168 /nfs/dbraw/zinc/79/41/68/655794168.db2.gz LGWACAMCLYMPPC-CRWXNKLISA-N 1 0 382.448 1.542 20 0 GDADRO CC(C)S(=O)(=O)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000860050554 655794314 /nfs/dbraw/zinc/79/43/14/655794314.db2.gz XWOZODKCJFYJOP-CRWXNKLISA-N 1 0 382.448 1.541 20 0 GDADRO COc1ccc(I)c(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1 ZINC000861541220 655825407 /nfs/dbraw/zinc/82/54/07/655825407.db2.gz YRUIXLBFBMJAML-MRVPVSSYSA-N 1 0 391.209 1.044 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000861543183 655825667 /nfs/dbraw/zinc/82/56/67/655825667.db2.gz ZFLYTNUYSGRFSH-LLVKDONJSA-N 1 0 394.273 1.438 20 0 GDADRO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861719870 655829126 /nfs/dbraw/zinc/82/91/26/655829126.db2.gz QCFACXYJOHNWOR-NEPJUHHUSA-N 1 0 383.290 1.263 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000861741601 655829671 /nfs/dbraw/zinc/82/96/71/655829671.db2.gz SFSFMLYITNYJBX-TVQRCGJNSA-N 1 0 387.267 1.021 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000861745279 655829772 /nfs/dbraw/zinc/82/97/72/655829772.db2.gz GTCPKYGSNPMATF-LLVKDONJSA-N 1 0 394.273 1.057 20 0 GDADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000861810488 655831389 /nfs/dbraw/zinc/83/13/89/655831389.db2.gz OBFZJAJIHDQYNE-HNNXBMFYSA-N 1 0 375.416 1.985 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000862031168 655836981 /nfs/dbraw/zinc/83/69/81/655836981.db2.gz CGVVHRSOUAATFE-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862352046 655844918 /nfs/dbraw/zinc/84/49/18/655844918.db2.gz YKKJHGBOOIMSAP-KBPBESRZSA-N 1 0 376.519 1.568 20 0 GDADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862352050 655844977 /nfs/dbraw/zinc/84/49/77/655844977.db2.gz YKKJHGBOOIMSAP-UONOGXRCSA-N 1 0 376.519 1.568 20 0 GDADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862394118 655845769 /nfs/dbraw/zinc/84/57/69/655845769.db2.gz DKMXCMBBVLYMBV-UONOGXRCSA-N 1 0 378.535 1.814 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1sc(N2CCCC2)nc1Cl ZINC000862647534 655850654 /nfs/dbraw/zinc/85/06/54/655850654.db2.gz NFHVDDRCGGEUJS-NSHDSACASA-N 1 0 385.921 1.466 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=S)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000863231079 655863443 /nfs/dbraw/zinc/86/34/43/655863443.db2.gz YXURARGYMJBKJP-OAHLLOKOSA-N 1 0 382.555 1.315 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863543550 655875275 /nfs/dbraw/zinc/87/52/75/655875275.db2.gz QMPBHACJJDIBJM-UHOFOFEASA-N 1 0 389.543 1.203 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2nc(C(F)(F)F)cs2)CC1 ZINC000863549599 655875409 /nfs/dbraw/zinc/87/54/09/655875409.db2.gz MXOJTXYFJHMRSR-MNOVXSKESA-N 1 0 376.404 1.919 20 0 GDADRO C[NH2+]C1(CNC(=O)c2ccc3ncc(I)n3c2)CCC1 ZINC000863922164 655883666 /nfs/dbraw/zinc/88/36/66/655883666.db2.gz OENVVNLFNVMIDO-UHFFFAOYSA-N 1 0 384.221 1.811 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000864063219 655888583 /nfs/dbraw/zinc/88/85/83/655888583.db2.gz IVEVXMJWJCMUGB-IUCAKERBSA-N 1 0 376.242 1.781 20 0 GDADRO Cn1nc(I)cc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000864068681 655889028 /nfs/dbraw/zinc/88/90/28/655889028.db2.gz UUBCHGRVJCJBGA-VIFPVBQESA-N 1 0 376.242 1.627 20 0 GDADRO Cn1nc(I)cc1C(=O)NCC[NH+]1CCCCCC1 ZINC000864829351 655906527 /nfs/dbraw/zinc/90/65/27/655906527.db2.gz NVDQTEWZYCSDKX-UHFFFAOYSA-N 1 0 376.242 1.631 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H](O)c1cnc[nH]1 ZINC000865041188 655910615 /nfs/dbraw/zinc/91/06/15/655910615.db2.gz NRIWUZHIIRLZEZ-OAHLLOKOSA-N 1 0 381.274 1.796 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cn2ccnc12 ZINC000865059290 655911185 /nfs/dbraw/zinc/91/11/85/655911185.db2.gz MCCDTHKHMDIPTH-CHWSQXEVSA-N 1 0 379.258 1.690 20 0 GDADRO Brc1ncccc1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000865411457 655919389 /nfs/dbraw/zinc/91/93/89/655919389.db2.gz XCRJZURBZBUMSP-UHFFFAOYSA-N 1 0 391.317 1.936 20 0 GDADRO COc1ncc(Br)cc1CNCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000865442671 655919965 /nfs/dbraw/zinc/91/99/65/655919965.db2.gz QMYFXNUNBSGGOQ-HNNXBMFYSA-N 1 0 399.333 1.885 20 0 GDADRO COc1cc(Cl)c(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1OC ZINC000865455624 655920141 /nfs/dbraw/zinc/92/01/41/655920141.db2.gz KNNPLRUEVWZKOO-UHFFFAOYSA-N 1 0 390.933 1.956 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cccnc2Br)C1 ZINC000865571314 655922164 /nfs/dbraw/zinc/92/21/64/655922164.db2.gz SRHQYLDFOPVLAO-GFCCVEGCSA-N 1 0 377.308 1.205 20 0 GDADRO CS[C@H]1CN(c2ccc(Br)cc2S(N)(=O)=O)C[C@@H]1[NH+](C)C ZINC000865645371 655923396 /nfs/dbraw/zinc/92/33/96/655923396.db2.gz YZSWJMWTHPRDRC-RYUDHWBXSA-N 1 0 394.360 1.578 20 0 GDADRO O=C1COC[C@@]2(C[NH2+]Cc3cc(Br)cc4c3OCC4)COCCN12 ZINC000865796168 655927113 /nfs/dbraw/zinc/92/71/13/655927113.db2.gz QUCVOWQUDXLIJH-QGZVFWFLSA-N 1 0 397.269 1.101 20 0 GDADRO O=C1COC[C@@]2(C[NH2+]Cc3cc(Cl)ccc3OC(F)F)COCCN12 ZINC000865801417 655927395 /nfs/dbraw/zinc/92/73/95/655927395.db2.gz XRRZCANSPRBINF-MRXNPFEDSA-N 1 0 376.787 1.659 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000865818644 655927943 /nfs/dbraw/zinc/92/79/43/655927943.db2.gz UTSZODMMQFGITK-UHFFFAOYSA-N 1 0 388.536 1.392 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](Nc2nc(Cl)c(C(=O)OC)s2)CC1=O ZINC000865886839 655929239 /nfs/dbraw/zinc/92/92/39/655929239.db2.gz NFUKFSPIVDPSCF-JTQLQIEISA-N 1 0 390.893 1.174 20 0 GDADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(I)nn2C)CC[N@@H+]1C ZINC000866049545 655933906 /nfs/dbraw/zinc/93/39/06/655933906.db2.gz PUTNGQIAYGEMAT-UWVGGRQHSA-N 1 0 376.242 1.579 20 0 GDADRO CC(=O)N[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000866222533 655936410 /nfs/dbraw/zinc/93/64/10/655936410.db2.gz IMYBRYYACDLVDB-OAHLLOKOSA-N 1 0 398.301 1.199 20 0 GDADRO COc1cc(C=O)cc(Br)c1OS(=O)(=O)CCC[NH+](C)C ZINC000866380337 655939013 /nfs/dbraw/zinc/93/90/13/655939013.db2.gz BVMRPCXKLKEYGW-UHFFFAOYSA-N 1 0 380.260 1.931 20 0 GDADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CCCN2CCCS2(=O)=O)C1 ZINC000866406228 655940666 /nfs/dbraw/zinc/94/06/66/655940666.db2.gz VYKYFHWPCFRRKZ-KBPBESRZSA-N 1 0 382.473 1.759 20 0 GDADRO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(Br)c(F)c1 ZINC000866552235 655948973 /nfs/dbraw/zinc/94/89/73/655948973.db2.gz HFDSRDASIVHZIL-ZBEGNZNMSA-N 1 0 387.249 1.867 20 0 GDADRO O=C1COC[C@@]2(C[NH2+]C3CC(c4ccc(Br)cc4)C3)COCCN12 ZINC000866554132 655949220 /nfs/dbraw/zinc/94/92/20/655949220.db2.gz PRAVJENBRDQECT-JFUPDXTOSA-N 1 0 395.297 1.913 20 0 GDADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000866591761 655950801 /nfs/dbraw/zinc/95/08/01/655950801.db2.gz JDBBRMZMCRFZKV-UHFFFAOYSA-N 1 0 379.324 1.678 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000866721245 655956761 /nfs/dbraw/zinc/95/67/61/655956761.db2.gz LJSDQOSLORWEIE-LLVKDONJSA-N 1 0 377.308 1.811 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000866742627 655957981 /nfs/dbraw/zinc/95/79/81/655957981.db2.gz AJKRAZRMOVMADV-BXUZGUMPSA-N 1 0 377.304 1.635 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1Br ZINC000866765429 655960388 /nfs/dbraw/zinc/96/03/88/655960388.db2.gz XUTWYQYEDPLFAU-LLVKDONJSA-N 1 0 377.308 1.193 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1Br ZINC000866768311 655960764 /nfs/dbraw/zinc/96/07/64/655960764.db2.gz ATXSNSXHTBWVFQ-WDEREUQCSA-N 1 0 377.308 1.193 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c(Br)n1 ZINC000866773494 655961709 /nfs/dbraw/zinc/96/17/09/655961709.db2.gz GPMOQJTVZWFJFZ-LBPRGKRZSA-N 1 0 385.287 1.429 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)nc2F)C1 ZINC000866775450 655962060 /nfs/dbraw/zinc/96/20/60/655962060.db2.gz DWQAEWLVQCGPIX-UTUOFQBUSA-N 1 0 377.869 1.924 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c(OC)cc1F ZINC000866778175 655962364 /nfs/dbraw/zinc/96/23/64/655962364.db2.gz BEJDZAIKJFMYTA-NSHDSACASA-N 1 0 388.339 1.131 20 0 GDADRO Cn1ncc(S(=O)(=O)NCC[C@H]([NH3+])Cc2ccccc2)c1Br ZINC000866787233 655963612 /nfs/dbraw/zinc/96/36/12/655963612.db2.gz JOPYGUISVBTBCZ-LBPRGKRZSA-N 1 0 387.303 1.421 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)s1 ZINC000866789664 655963748 /nfs/dbraw/zinc/96/37/48/655963748.db2.gz NLWGQVARPBGRSF-BQBZGAKWSA-N 1 0 381.273 1.032 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000866794012 655964352 /nfs/dbraw/zinc/96/43/52/655964352.db2.gz NBESRGGKPKWYGL-ZAMGYDSWSA-N 1 0 377.507 1.801 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c(F)cc1Br ZINC000866794641 655964435 /nfs/dbraw/zinc/96/44/35/655964435.db2.gz WKNKFOAEYVZNFL-YUMQZZPRSA-N 1 0 395.250 1.485 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c1OC ZINC000866803257 655965472 /nfs/dbraw/zinc/96/54/72/655965472.db2.gz RPBAPJUKRWMCIN-UHFFFAOYSA-N 1 0 389.905 1.471 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000866814777 655966413 /nfs/dbraw/zinc/96/64/13/655966413.db2.gz HEZXLRHREILBHG-RHSMWYFYSA-N 1 0 375.535 1.203 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccc1Cl ZINC000866823131 655967234 /nfs/dbraw/zinc/96/72/34/655967234.db2.gz FQQFSAPFYXIOIS-CHWSQXEVSA-N 1 0 378.903 1.259 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1OC ZINC000866822991 655967263 /nfs/dbraw/zinc/96/72/63/655967263.db2.gz FFMIBDMHIDJISC-CHWSQXEVSA-N 1 0 388.873 1.650 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1)C(F)(F)F ZINC000866824103 655967320 /nfs/dbraw/zinc/96/73/20/655967320.db2.gz RRCMQWHTHJZKDT-CHWSQXEVSA-N 1 0 377.388 1.702 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866825351 655967471 /nfs/dbraw/zinc/96/74/71/655967471.db2.gz PWKGVQCNJGGMEW-KGLIPLIRSA-N 1 0 375.288 1.973 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866831588 655968028 /nfs/dbraw/zinc/96/80/28/655968028.db2.gz OGOGZICMRPSNGC-OLZOCXBDSA-N 1 0 392.262 1.806 20 0 GDADRO CC(C)[C@H](CNS(=O)(=O)C[C@]1(C)CC1(Cl)Cl)N1CC[NH+](C)CC1 ZINC000866873271 655972416 /nfs/dbraw/zinc/97/24/16/655972416.db2.gz QSIKAWVKVCIFFH-KBPBESRZSA-N 1 0 386.389 1.762 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000866921347 655977460 /nfs/dbraw/zinc/97/74/60/655977460.db2.gz RAAUAOVXSLIBIJ-CABCVRRESA-N 1 0 375.535 1.646 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000866963729 655982349 /nfs/dbraw/zinc/98/23/49/655982349.db2.gz XNISKFFOZPJSRB-CYBMUJFWSA-N 1 0 375.516 1.568 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000866963730 655982353 /nfs/dbraw/zinc/98/23/53/655982353.db2.gz XNISKFFOZPJSRB-ZDUSSCGKSA-N 1 0 375.516 1.568 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000867028475 655988949 /nfs/dbraw/zinc/98/89/49/655988949.db2.gz RUDPRMHORJNCEE-INIZCTEOSA-N 1 0 393.912 1.069 20 0 GDADRO C[C@H](NS(=O)(=O)N=S1(=O)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867067479 655993078 /nfs/dbraw/zinc/99/30/78/655993078.db2.gz LCWQBMXRSNQXHW-RDJZCZTQSA-N 1 0 385.555 1.993 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000867070126 655993223 /nfs/dbraw/zinc/99/32/23/655993223.db2.gz LXQGNBDQPHNMKU-HSZRJFAPSA-N 1 0 381.564 1.173 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000867092227 655994502 /nfs/dbraw/zinc/99/45/02/655994502.db2.gz JFBCQGHCUXGGMA-GVDBMIGSSA-N 1 0 385.555 1.849 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000867260617 656024880 /nfs/dbraw/zinc/02/48/80/656024880.db2.gz ATZBHMODFXBYBC-XDHUDOTRSA-N 1 0 385.555 1.947 20 0 GDADRO Cc1nc(C(F)(F)F)ccc1OS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000867266044 656026637 /nfs/dbraw/zinc/02/66/37/656026637.db2.gz 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Cn1ncc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000867487426 656069282 /nfs/dbraw/zinc/06/92/82/656069282.db2.gz JNZTWDBEUDZPKS-MNOVXSKESA-N 1 0 377.308 1.478 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000867504862 656072230 /nfs/dbraw/zinc/07/22/30/656072230.db2.gz UMDGGSRRYJSOHE-INIZCTEOSA-N 1 0 389.543 1.095 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1C(F)(F)F ZINC000867537551 656080501 /nfs/dbraw/zinc/08/05/01/656080501.db2.gz MPMCENKTKHVOIF-LLVKDONJSA-N 1 0 384.424 1.170 20 0 GDADRO Cn1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(Br)n1 ZINC000867564294 656084696 /nfs/dbraw/zinc/08/46/96/656084696.db2.gz WAFIHLIPIDWFQL-NSHDSACASA-N 1 0 377.308 1.478 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000867601024 656091833 /nfs/dbraw/zinc/09/18/33/656091833.db2.gz GXDQENWYQQVPTJ-CVEARBPZSA-N 1 0 381.567 1.850 20 0 GDADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000867742205 656107565 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GDADRO COc1cc(I)ccc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000868062495 656139222 /nfs/dbraw/zinc/13/92/22/656139222.db2.gz SKLBHRKCQTZHRQ-MNOVXSKESA-N 1 0 386.233 1.981 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)NC[C@H](O)c2cccc(Br)c2)cn1 ZINC000868069748 656139436 /nfs/dbraw/zinc/13/94/36/656139436.db2.gz WEYQENJAZFFDDS-HNNXBMFYSA-N 1 0 381.274 1.671 20 0 GDADRO O=C(Nc1ccc(Br)nc1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868135252 656141800 /nfs/dbraw/zinc/14/18/00/656141800.db2.gz WOXVTQZSWHYVLX-TUAOUCFPSA-N 1 0 396.245 1.243 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000868246151 656145992 /nfs/dbraw/zinc/14/59/92/656145992.db2.gz MZRQGKSMAVDADM-GHMZBOCLSA-N 1 0 384.274 1.901 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000868247684 656146013 /nfs/dbraw/zinc/14/60/13/656146013.db2.gz FRDUSWPCGKKTAD-UHTWSYAYSA-N 1 0 396.285 1.982 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)ncc1Br ZINC000868268451 656147495 /nfs/dbraw/zinc/14/74/95/656147495.db2.gz HHYPZTAZMYNHQI-LLVKDONJSA-N 1 0 383.290 1.985 20 0 GDADRO O=C(c1nc(Br)sc1Cl)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000868343742 656151435 /nfs/dbraw/zinc/15/14/35/656151435.db2.gz JGKORIQTJKATBR-JGVFFNPUSA-N 1 0 380.695 1.840 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868416734 656154829 /nfs/dbraw/zinc/15/48/29/656154829.db2.gz FZLUAUFXKSHLCH-CABCVRRESA-N 1 0 398.276 1.900 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868419464 656154853 /nfs/dbraw/zinc/15/48/53/656154853.db2.gz PKNDEQPYRGPNHF-CVEARBPZSA-N 1 0 394.313 1.803 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)c1cccc(Br)c1 ZINC000868520831 656159023 /nfs/dbraw/zinc/15/90/23/656159023.db2.gz OMZHAYCDSWNDKC-IMJJTQAJSA-N 1 0 380.286 1.789 20 0 GDADRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(I)nn1C ZINC000869164284 656183232 /nfs/dbraw/zinc/18/32/32/656183232.db2.gz NILOEKJBIQSLDM-UHFFFAOYSA-N 1 0 376.242 1.583 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000869775082 656207051 /nfs/dbraw/zinc/20/70/51/656207051.db2.gz HFKIISSDMZOAEP-CABZTGNLSA-N 1 0 398.139 1.844 20 0 GDADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869817233 656208307 /nfs/dbraw/zinc/20/83/07/656208307.db2.gz OILXYDWNNBQZNI-MRXNPFEDSA-N 1 0 380.535 1.251 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1I ZINC000870944290 656257797 /nfs/dbraw/zinc/25/77/97/656257797.db2.gz FDURWMVIRSTUAH-VHSXEESVSA-N 1 0 376.242 1.926 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000870967043 656259276 /nfs/dbraw/zinc/25/92/76/656259276.db2.gz ZFVHTUUARHMLNN-KKZNHRDASA-N 1 0 380.242 1.287 20 0 GDADRO O=C(Cc1cc(Cl)ccc1Cl)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871001360 656259889 /nfs/dbraw/zinc/25/98/89/656259889.db2.gz ZKMBBFJUUWWISJ-CFVMTHIKSA-N 1 0 384.263 1.929 20 0 GDADRO O=C(c1cc(F)cc(Br)c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871001640 656259921 /nfs/dbraw/zinc/25/99/21/656259921.db2.gz DYONTODULQUMKG-MCIONIFRSA-N 1 0 398.232 1.595 20 0 GDADRO Cn1ncc(I)c1CNC(=O)CCC1CC[NH2+]CC1 ZINC000871019492 656260266 /nfs/dbraw/zinc/26/02/66/656260266.db2.gz DJMDTUDMIALQBL-UHFFFAOYSA-N 1 0 376.242 1.421 20 0 GDADRO C[C@H](C(=O)NCc1c(I)cnn1C)[C@@H]([NH3+])c1ccccc1 ZINC000871020320 656260467 /nfs/dbraw/zinc/26/04/67/656260467.db2.gz UASKFSGTJWHHIE-IINYFYTJSA-N 1 0 398.248 1.977 20 0 GDADRO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CCC1(C)C ZINC000871151263 656262971 /nfs/dbraw/zinc/26/29/71/656262971.db2.gz ZONDVUDPVLGELB-UHFFFAOYSA-N 1 0 387.933 1.951 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871806177 656280165 /nfs/dbraw/zinc/28/01/65/656280165.db2.gz XVAKJEZNQRVMJB-UHFFFAOYSA-N 1 0 389.905 1.471 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)s1 ZINC000871809741 656280879 /nfs/dbraw/zinc/28/08/79/656280879.db2.gz BKGUXEUBUBDKBS-GXSJLCMTSA-N 1 0 385.433 1.142 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)nc2sccn21 ZINC000871809601 656280886 /nfs/dbraw/zinc/28/08/86/656280886.db2.gz FQTHEACZSDRVBD-JTQLQIEISA-N 1 0 390.918 1.486 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000871813408 656282130 /nfs/dbraw/zinc/28/21/30/656282130.db2.gz IKMPDIRNGGUQKB-RKDXNWHRSA-N 1 0 386.367 1.601 20 0 GDADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871813430 656282131 /nfs/dbraw/zinc/28/21/31/656282131.db2.gz ILZFFBCKMNVSCL-VHSXEESVSA-N 1 0 384.351 1.370 20 0 GDADRO COc1cc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000871813915 656282275 /nfs/dbraw/zinc/28/22/75/656282275.db2.gz LFWLZQQGKJKDRI-WDEREUQCSA-N 1 0 382.404 1.770 20 0 GDADRO CCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000871814043 656282486 /nfs/dbraw/zinc/28/24/86/656282486.db2.gz OKRSTEAJOVIPEU-GXFFZTMASA-N 1 0 379.404 1.793 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000871815375 656283302 /nfs/dbraw/zinc/28/33/02/656283302.db2.gz VBPDBVCSJGTDIH-IINYFYTJSA-N 1 0 375.288 1.688 20 0 GDADRO O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)Cn1ccnn1 ZINC000872079412 656318367 /nfs/dbraw/zinc/31/83/67/656318367.db2.gz MQFLLXDKEXJFOC-BMFZPTHFSA-N 1 0 381.274 1.769 20 0 GDADRO [NH3+]C[C@H]1CN(CC(=O)NCCOc2ccc(Cl)cc2)C[C@@H]1C(F)(F)F ZINC000872149693 656318697 /nfs/dbraw/zinc/31/86/97/656318697.db2.gz WQGPUOPPCGLBKI-FZMZJTMJSA-N 1 0 379.810 1.904 20 0 GDADRO CS(=O)(=O)c1ccc(OCCCN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872150902 656318835 /nfs/dbraw/zinc/31/88/35/656318835.db2.gz SUKRKAQDUKRKPP-IUODEOHRSA-N 1 0 380.432 1.928 20 0 GDADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872186936 656319450 /nfs/dbraw/zinc/31/94/50/656319450.db2.gz PQZAPHJRQWXIDW-WDEREUQCSA-N 1 0 378.782 1.289 20 0 GDADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)O)C2=O)ccc1Br ZINC000872205760 656319986 /nfs/dbraw/zinc/31/99/86/656319986.db2.gz 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CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000923735438 656595946 /nfs/dbraw/zinc/59/59/46/656595946.db2.gz JIYRBEQKWYYKIZ-KRWDZBQOSA-N 1 0 386.539 1.777 20 0 GDADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)Cc1sccc1Br ZINC000876475896 656607114 /nfs/dbraw/zinc/60/71/14/656607114.db2.gz SFCGWZSGHRJTGB-HNNXBMFYSA-N 1 0 391.331 1.859 20 0 GDADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1nc(Br)sc1C ZINC000876475322 656607292 /nfs/dbraw/zinc/60/72/92/656607292.db2.gz JMZVUVCCCBARCL-CQSZACIVSA-N 1 0 392.319 1.633 20 0 GDADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1nc(Br)ccc1C ZINC000876474300 656607404 /nfs/dbraw/zinc/60/74/04/656607404.db2.gz BHYZCPLWWLTOML-MRXNPFEDSA-N 1 0 386.290 1.572 20 0 GDADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1(F)F ZINC000876559313 656614035 /nfs/dbraw/zinc/61/40/35/656614035.db2.gz XPQOPPZSLOQFQO-ZWNOBZJWSA-N 1 0 393.843 1.013 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876558597 656614103 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20 0 GDADRO COC[C@@]1(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)C[NH2+]CCO1 ZINC000876683841 656623543 /nfs/dbraw/zinc/62/35/43/656623543.db2.gz YBMRVDLIGOQHLG-MLGOLLRUSA-N 1 0 387.274 1.338 20 0 GDADRO COC[C@]1(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C[NH2+]CCO1 ZINC000876764008 656629027 /nfs/dbraw/zinc/62/90/27/656629027.db2.gz RMZJBTGOJQMLQR-GUYCJALGSA-N 1 0 398.301 1.149 20 0 GDADRO C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000876776441 656630139 /nfs/dbraw/zinc/63/01/39/656630139.db2.gz NMBUWUPVMOJJEQ-JQWIXIFHSA-N 1 0 379.814 1.338 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cc(I)nn2C)[C@@H]1CC[NH3+] ZINC000876948430 656642011 /nfs/dbraw/zinc/64/20/11/656642011.db2.gz IOXOQRFDBZCBKZ-NXEZZACHSA-N 1 0 376.242 1.614 20 0 GDADRO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000876963114 656643040 /nfs/dbraw/zinc/64/30/40/656643040.db2.gz BWRYBPUETZZLPA-WCQYABFASA-N 1 0 382.404 1.012 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000876963107 656643059 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1.336 20 0 GDADRO C[NH2+]CCOCCNC(=O)c1cc(Br)nn1-c1ccc(C)cc1 ZINC000877025092 656647286 /nfs/dbraw/zinc/64/72/86/656647286.db2.gz BNDQRYGPHSALFY-UHFFFAOYSA-N 1 0 381.274 1.909 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000877039977 656648602 /nfs/dbraw/zinc/64/86/02/656648602.db2.gz STIDDKOWMSUSEU-LLVKDONJSA-N 1 0 389.905 1.135 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1Cl ZINC000877048076 656649188 /nfs/dbraw/zinc/64/91/88/656649188.db2.gz HSVYIYWWNYNWBU-CMPLNLGQSA-N 1 0 375.878 1.392 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[NH2+]1 ZINC000877052956 656650445 /nfs/dbraw/zinc/65/04/45/656650445.db2.gz YYWLZVHNQXMZQB-GXSJLCMTSA-N 1 0 375.288 1.723 20 0 GDADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000877124614 656655252 /nfs/dbraw/zinc/65/52/52/656655252.db2.gz YEWJRIIMKGYDQO-HNNXBMFYSA-N 1 0 398.301 1.372 20 0 GDADRO Cn1nc(I)cc1C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000877159770 656656765 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CC(C)(C)OC(=O)N1[C@@H](C[NH2+]C[C@H]2CCCCS2(=O)=O)COC1(C)C ZINC000877304824 656666041 /nfs/dbraw/zinc/66/60/41/656666041.db2.gz PAPYVZNMSLIXEU-UONOGXRCSA-N 1 0 376.519 1.915 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@H]1C(F)(F)F ZINC000877367570 656670824 /nfs/dbraw/zinc/67/08/24/656670824.db2.gz MPXRSMDDNSDATB-PSASIEDQSA-N 1 0 382.180 1.206 20 0 GDADRO O=C(NCC[NH2+][C@@H]1C(=O)NCC12CCOCC2)c1ccc(Br)cc1 ZINC000924730224 656672160 /nfs/dbraw/zinc/67/21/60/656672160.db2.gz CYBJGIGQBLJHQH-CQSZACIVSA-N 1 0 396.285 1.064 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)C2 ZINC000877379787 656672722 /nfs/dbraw/zinc/67/27/22/656672722.db2.gz WERVZXFDGBECAR-APPDUMDISA-N 1 0 398.276 1.776 20 0 GDADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000877394090 656673210 /nfs/dbraw/zinc/67/32/10/656673210.db2.gz QCLVAOHVJWKAGB-NVXWUHKLSA-N 1 0 383.901 1.894 20 0 GDADRO CC(C)(CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000877501807 656677538 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O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCCN(c2nccs2)CC1 ZINC000925147334 656695869 /nfs/dbraw/zinc/69/58/69/656695869.db2.gz HYYRFLBNUIIVBN-LSDHHAIUSA-N 1 0 381.571 1.945 20 0 GDADRO Cc1csc(N2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)CC2)n1 ZINC000925143861 656695883 /nfs/dbraw/zinc/69/58/83/656695883.db2.gz MTGINBIYBQZMKP-CABCVRRESA-N 1 0 381.571 1.863 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000925151227 656696079 /nfs/dbraw/zinc/69/60/79/656696079.db2.gz HXXONXMCEVUCBN-NFAWXSAZSA-N 1 0 380.539 1.510 20 0 GDADRO Cn1cc([C@@H]2CSCCN2C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cn1 ZINC000925159821 656696845 /nfs/dbraw/zinc/69/68/45/656696845.db2.gz DWDXDDNXIYBABB-OWCLPIDISA-N 1 0 381.571 1.799 20 0 GDADRO O=C1N[C@@H](c2ccccc2Br)C(=O)N1C1CC[NH+](CCO)CC1 ZINC000925308655 656704932 /nfs/dbraw/zinc/70/49/32/656704932.db2.gz YWBFAOAEQVHCDA-AWEZNQCLSA-N 1 0 382.258 1.499 20 0 GDADRO C[N@H+](C[C@H](O)COCc1ccccc1)C[C@H](O)c1cc(Br)no1 ZINC000878098547 656706484 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377.268 1.699 20 0 GDADRO NC(=O)C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000880391575 656886695 /nfs/dbraw/zinc/88/66/95/656886695.db2.gz RFUJCUNDHXONND-ZDUSSCGKSA-N 1 0 377.268 1.699 20 0 GDADRO NC(=O)C[N@H+](CCC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000880391356 656886728 /nfs/dbraw/zinc/88/67/28/656886728.db2.gz KIYOUKKAGGKFST-UHFFFAOYSA-N 1 0 384.274 1.744 20 0 GDADRO C[C@H]1[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[N@@H+]1C ZINC000928450537 656903178 /nfs/dbraw/zinc/90/31/78/656903178.db2.gz JDGCBIVZCNKUMM-ZANVPECISA-N 1 0 380.242 1.254 20 0 GDADRO C[C@H]([NH3+])c1cn(CC(=O)N(C)CCOc2ccc(Br)cc2)nn1 ZINC000881081727 656916763 /nfs/dbraw/zinc/91/67/63/656916763.db2.gz YBTMDMIAWTUGKQ-NSHDSACASA-N 1 0 382.262 1.598 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000881113662 656917590 /nfs/dbraw/zinc/91/75/90/656917590.db2.gz DONFVPPGGYQEBX-NWDGAFQWSA-N 1 0 384.527 1.705 20 0 GDADRO C[NH+]1CCC2(CCCN2C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1 ZINC000881117019 656918683 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377.304 1.618 20 0 GDADRO COC1(OC)CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000931641882 657114954 /nfs/dbraw/zinc/11/49/54/657114954.db2.gz JUTZXEAEBXBDJJ-NHYWBVRUSA-N 1 0 380.268 1.789 20 0 GDADRO CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000931663966 657118710 /nfs/dbraw/zinc/11/87/10/657118710.db2.gz XDNRLDKGCKKREE-GWCFXTLKSA-N 1 0 391.693 1.956 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CC[C@H](c3nccs3)C2)CCC1 ZINC000931687896 657120744 /nfs/dbraw/zinc/12/07/44/657120744.db2.gz DSVQGVXTCBSZMI-UONOGXRCSA-N 1 0 387.571 1.934 20 0 GDADRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1 ZINC000882476535 657129803 /nfs/dbraw/zinc/12/98/03/657129803.db2.gz BKHVMTZEWMYQCS-HOCLYGCPSA-N 1 0 385.555 1.297 20 0 GDADRO CCN1CC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000882487421 657132888 /nfs/dbraw/zinc/13/28/88/657132888.db2.gz VMZXACFNZISEPG-CQSZACIVSA-N 1 0 385.555 1.993 20 0 GDADRO CC1([NH+]2CCC2)CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000882503489 657137172 /nfs/dbraw/zinc/13/71/72/657137172.db2.gz RETJXBVWMUVCQM-UHFFFAOYSA-N 1 0 379.262 1.587 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000932192231 657157913 /nfs/dbraw/zinc/15/79/13/657157913.db2.gz UFQFJRNJGSPCFF-CYBMUJFWSA-N 1 0 384.274 1.284 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(F)(F)c1cccc(Br)c1 ZINC000932525958 657193571 /nfs/dbraw/zinc/19/35/71/657193571.db2.gz JDKABSLMHRPHNY-CYBMUJFWSA-N 1 0 376.245 1.903 20 0 GDADRO C[C@H]1C[N@H+](CC2CN(S(C)(=O)=O)C2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932709566 657212204 /nfs/dbraw/zinc/21/22/04/657212204.db2.gz IYCPLLPUEHUEOJ-ZFWWWQNUSA-N 1 0 375.535 1.361 20 0 GDADRO O=S(=O)(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000882744621 657217093 /nfs/dbraw/zinc/21/70/93/657217093.db2.gz JKQJBVWQCFDAHB-UHFFFAOYSA-N 1 0 381.523 1.839 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2cnn3cccc(Br)c23)CCOCC1 ZINC000932824114 657225791 /nfs/dbraw/zinc/22/57/91/657225791.db2.gz HWBVHCYSIPHBKP-UHFFFAOYSA-N 1 0 381.274 1.937 20 0 GDADRO NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc(CO)c(Br)n2)CC1 ZINC000882811710 657238295 /nfs/dbraw/zinc/23/82/95/657238295.db2.gz CYPMYPZZVPUVCE-UHFFFAOYSA-N 1 0 397.317 1.647 20 0 GDADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000933039592 657248620 /nfs/dbraw/zinc/24/86/20/657248620.db2.gz VUHCSEYSDBSWJJ-LFPIHBKWSA-N 1 0 391.320 1.986 20 0 GDADRO COc1cnc(NCC[N@H+](C)CCOCCO)c(I)c1 ZINC000882950862 657259597 /nfs/dbraw/zinc/25/95/97/657259597.db2.gz DHLJOLRZIDYLBC-UHFFFAOYSA-N 1 0 395.241 1.047 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC000883075575 657267367 /nfs/dbraw/zinc/26/73/67/657267367.db2.gz GJTDJBWMYDXMBW-MNOVXSKESA-N 1 0 377.354 1.201 20 0 GDADRO COC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CCCOC1 ZINC000883188251 657277310 /nfs/dbraw/zinc/27/73/10/657277310.db2.gz HICRCDXLEDMBFI-KGLIPLIRSA-N 1 0 388.452 1.579 20 0 GDADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)Nc1cnccn1 ZINC000933438792 657280956 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[NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccccc1OC(F)F)C2 ZINC000883481238 657292119 /nfs/dbraw/zinc/29/21/19/657292119.db2.gz CVCJDTZSFLHGFR-UHFFFAOYSA-N 1 0 375.422 1.950 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000883592690 657299698 /nfs/dbraw/zinc/29/96/98/657299698.db2.gz PPMAZNYDJREEJQ-JTQLQIEISA-N 1 0 383.246 1.996 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N1CCc3c1cccc3Cl)C2 ZINC000883623295 657302273 /nfs/dbraw/zinc/30/22/73/657302273.db2.gz PYPMBUXBPQABEL-UHFFFAOYSA-N 1 0 376.869 1.729 20 0 GDADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cnn(C)c2I)CC1 ZINC000933741019 657314412 /nfs/dbraw/zinc/31/44/12/657314412.db2.gz ZGPGBSLRKVMIDC-SNVBAGLBSA-N 1 0 391.257 1.973 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CCO1 ZINC000884042899 657321904 /nfs/dbraw/zinc/32/19/04/657321904.db2.gz KIXKTYLHJXTIQX-HERUPUMHSA-N 1 0 383.242 1.105 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000884054907 657322298 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399.285 1.330 20 0 GDADRO COC(=O)N[C@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000884484150 657360489 /nfs/dbraw/zinc/36/04/89/657360489.db2.gz JWBXBZYCINJWFR-JTQLQIEISA-N 1 0 381.230 1.547 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884520095 657363004 /nfs/dbraw/zinc/36/30/04/657363004.db2.gz MJPOSVCJFPIIRT-YEORSEQZSA-N 1 0 398.301 1.708 20 0 GDADRO C[C@](CO)([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1cccc(Br)c1 ZINC000934497434 657363981 /nfs/dbraw/zinc/36/39/81/657363981.db2.gz LMJCKQBJTHDPSS-GVDBMIGSSA-N 1 0 388.302 1.803 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH2+][C@@](C)(CO)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000934499577 657364583 /nfs/dbraw/zinc/36/45/83/657364583.db2.gz VLIFVUXBTVIZND-XNJGSVPQSA-N 1 0 385.302 1.882 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)Oc1cccc(Br)c1 ZINC000884621721 657367363 /nfs/dbraw/zinc/36/73/63/657367363.db2.gz QRJDBLDOOHFCDI-WZRBSPASSA-N 1 0 384.274 1.281 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)Oc1ccc(Br)cc1 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GDADRO O=C(NCC1(c2ccc(Br)cc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885102282 657419747 /nfs/dbraw/zinc/41/97/47/657419747.db2.gz MKQCCFRDVORCCZ-BETUJISGSA-N 1 0 392.297 1.275 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ncc(Cl)s2)CC[C@@H]1C(F)(F)F ZINC000885108629 657421196 /nfs/dbraw/zinc/42/11/96/657421196.db2.gz RXLYXLFBIWBGTG-YUMQZZPRSA-N 1 0 384.811 1.398 20 0 GDADRO COCCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885285030 657439152 /nfs/dbraw/zinc/43/91/52/657439152.db2.gz LGOYKAIPTCBKJQ-GFCCVEGCSA-N 1 0 375.441 1.084 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccccc2[S@@](=O)C(F)(F)F)C1 ZINC000935680344 657466328 /nfs/dbraw/zinc/46/63/28/657466328.db2.gz PPJSHRXWLSETKZ-SGANQWHYSA-N 1 0 378.416 1.843 20 0 GDADRO C[NH+]1CCC2(CCCN(C(=O)c3cc(S(N)(=O)=O)oc3Cl)C2)CC1 ZINC000935797776 657487700 /nfs/dbraw/zinc/48/77/00/657487700.db2.gz YIXJNYXWXDQUHM-UHFFFAOYSA-N 1 0 375.878 1.528 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1=O ZINC000935812594 657489966 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1 0 390.269 1.997 20 0 GDADRO Cc1nc(Cl)sc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC000996544878 657626028 /nfs/dbraw/zinc/62/60/28/657626028.db2.gz MBFNAIGLVMCUHQ-RNJOBUHISA-N 1 0 382.917 1.918 20 0 GDADRO Ic1cnnn1C1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886280460 657633627 /nfs/dbraw/zinc/63/36/27/657633627.db2.gz FKHDLSYVSSAFKL-BXUZGUMPSA-N 1 0 388.253 1.946 20 0 GDADRO COc1ccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)c(Br)c1 ZINC000886282226 657633649 /nfs/dbraw/zinc/63/36/49/657633649.db2.gz BKYBQYOPPKNGAM-UHFFFAOYSA-N 1 0 392.257 1.531 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886563924 657675798 /nfs/dbraw/zinc/67/57/98/657675798.db2.gz JFVZMEWEUXDXGO-MYZSUADSSA-N 1 0 383.539 1.195 20 0 GDADRO OCCOCC1(O)CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000886736469 657686827 /nfs/dbraw/zinc/68/68/27/657686827.db2.gz ARMMUMWHQPJMFS-CQSZACIVSA-N 1 0 394.295 1.569 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)ccc1F ZINC000886896492 657722428 /nfs/dbraw/zinc/72/24/28/657722428.db2.gz LMHIFIZEHKLWDM-SNVBAGLBSA-N 1 0 380.388 1.526 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886896408 657722520 /nfs/dbraw/zinc/72/25/20/657722520.db2.gz IOFFCHSAECDBTD-MRVPVSSYSA-N 1 0 383.804 1.045 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000886899299 657725413 /nfs/dbraw/zinc/72/54/13/657725413.db2.gz GUCJBILIJIOJGO-MRXNPFEDSA-N 1 0 388.511 1.698 20 0 GDADRO CCN(C(=O)C(=O)Nc1cccc(I)c1)[C@@H]1CC[NH2+]C1 ZINC000886986185 657731877 /nfs/dbraw/zinc/73/18/77/657731877.db2.gz ANBRNSUFPSOHAS-GFCCVEGCSA-N 1 0 387.221 1.440 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000887035253 657741352 /nfs/dbraw/zinc/74/13/52/657741352.db2.gz JWAZNZDCWWXTJD-VIFPVBQESA-N 1 0 391.216 1.452 20 0 GDADRO CCN(C(=O)C(=O)N(C)Cc1cc(OC)ccc1Br)[C@H]1CC[NH2+]C1 ZINC000887069046 657748128 /nfs/dbraw/zinc/74/81/28/657748128.db2.gz WXOMDSFOQSMUFF-ZDUSSCGKSA-N 1 0 398.301 1.627 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887078882 657752277 /nfs/dbraw/zinc/75/22/77/657752277.db2.gz FXARHLNVRTVNAO-QGZVFWFLSA-N 1 0 398.301 1.993 20 0 GDADRO C[N@H+](CCO)CCNC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000888143578 657866650 /nfs/dbraw/zinc/86/66/50/657866650.db2.gz AOOMVRDCEWKLRZ-UHFFFAOYSA-N 1 0 385.184 1.909 20 0 GDADRO C[N@H+](CCO)CCNC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000888439855 657904663 /nfs/dbraw/zinc/90/46/63/657904663.db2.gz JONGAFOXIMSGLM-UHFFFAOYSA-N 1 0 385.877 1.816 20 0 GDADRO CN1CCN(C(=O)c2cnn3cccc(Br)c23)CC[N@H+](C)CC1 ZINC000888976390 657962056 /nfs/dbraw/zinc/96/20/56/657962056.db2.gz OCWABPQZSSMWHG-UHFFFAOYSA-N 1 0 380.290 1.416 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1nn2c(c1Br)CCC2 ZINC000889656143 658016540 /nfs/dbraw/zinc/01/65/40/658016540.db2.gz WCSIORGXPGYWTJ-BZPMIXESSA-N 1 0 397.317 1.916 20 0 GDADRO O=C(N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C1(n2cc(Br)cn2)CC1 ZINC000889739712 658025076 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COC[C@H](NC(=O)NCC1([NH3+])CCOCC1)c1cccc(Br)c1 ZINC000892278715 658315173 /nfs/dbraw/zinc/31/51/73/658315173.db2.gz BFBJIAMWKHTOAA-AWEZNQCLSA-N 1 0 386.290 1.944 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CCO1 ZINC000892322214 658317413 /nfs/dbraw/zinc/31/74/13/658317413.db2.gz IYETWAMKBXPLIW-BTQADYBMSA-N 1 0 380.286 1.845 20 0 GDADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000892550849 658332792 /nfs/dbraw/zinc/33/27/92/658332792.db2.gz AHMAKIABEOAKQD-RWSFTLGLSA-N 1 0 386.290 1.870 20 0 GDADRO CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+]C[C@H]2C[C@]2(C)Br)CC1 ZINC000892653774 658339516 /nfs/dbraw/zinc/33/95/16/658339516.db2.gz MUCCZSWQXJRLHO-WBMJQRKESA-N 1 0 390.322 1.829 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000892705518 658345136 /nfs/dbraw/zinc/34/51/36/658345136.db2.gz UAEFPGYYRFVAJH-CHWSQXEVSA-N 1 0 394.584 1.691 20 0 GDADRO C[C@@H](CNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O)[N@H+](C)C1CC1 ZINC000892821577 658351845 /nfs/dbraw/zinc/35/18/45/658351845.db2.gz UUKXJCAYKPXYAE-ZANVPECISA-N 1 0 396.289 1.489 20 0 GDADRO COCC[NH+]1CCC(OC(=O)Cc2csc(S[C@H](C)C(N)=O)n2)CC1 ZINC000893122278 658378876 /nfs/dbraw/zinc/37/88/76/658378876.db2.gz XCZUBRDHSINHKE-LLVKDONJSA-N 1 0 387.527 1.306 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000893173304 658382712 /nfs/dbraw/zinc/38/27/12/658382712.db2.gz LKOTXGMZLSCNEB-HZPDHXFCSA-N 1 0 385.961 1.875 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)s1 ZINC000893194724 658384549 /nfs/dbraw/zinc/38/45/49/658384549.db2.gz KHLCEVUGHTZUMI-STQMWFEESA-N 1 0 378.491 1.558 20 0 GDADRO C[C@H](C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)S(C)(=O)=O ZINC000893240368 658388467 /nfs/dbraw/zinc/38/84/67/658388467.db2.gz CWWXMSAEESQKAW-RDBSUJKOSA-N 1 0 376.519 1.472 20 0 GDADRO CCOC(=O)c1ncc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)s1 ZINC000893319354 658394631 /nfs/dbraw/zinc/39/46/31/658394631.db2.gz 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/nfs/dbraw/zinc/55/48/01/658554801.db2.gz KBCJPGBJJUJEJI-UHFFFAOYSA-N 1 0 375.311 1.731 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000894432529 658557790 /nfs/dbraw/zinc/55/77/90/658557790.db2.gz RBYIHXJGAYSZFO-UHFFFAOYSA-N 1 0 380.919 1.092 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@@H](CCO)C1CCOCC1 ZINC000894468807 658564957 /nfs/dbraw/zinc/56/49/57/658564957.db2.gz DLSCYQRBRQFYOS-LBPRGKRZSA-N 1 0 379.242 1.292 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)NCc2ncc(Br)cn2)CC1(C)C ZINC000894600553 658589623 /nfs/dbraw/zinc/58/96/23/658589623.db2.gz CWGSTDXVVBSIEJ-UHFFFAOYSA-N 1 0 385.310 1.064 20 0 GDADRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000894650678 658595105 /nfs/dbraw/zinc/59/51/05/658595105.db2.gz LPUQVBGFORHEJI-QWHCGFSZSA-N 1 0 379.931 1.917 20 0 GDADRO CC(C)(C[NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000894680667 658596992 /nfs/dbraw/zinc/59/69/92/658596992.db2.gz CTVSRTUBXJQERD-OAHLLOKOSA-N 1 0 376.316 1.866 20 0 GDADRO Cn1nc(Br)nc1CNCc1ccncc1OCCC[NH+](C)C ZINC000894788200 658614050 /nfs/dbraw/zinc/61/40/50/658614050.db2.gz ZNVTXSCGAFNBAA-UHFFFAOYSA-N 1 0 383.294 1.593 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000894866228 658628823 /nfs/dbraw/zinc/62/88/23/658628823.db2.gz LHVNJWOZJMFVSL-KGLIPLIRSA-N 1 0 391.253 1.434 20 0 GDADRO COC(=O)[C@H]1CN(Cc2ccc(Br)cc2NC(C)=O)CC[N@H+](C)C1 ZINC000894896930 658632251 /nfs/dbraw/zinc/63/22/51/658632251.db2.gz MZPPMHKDVZNDRY-CQSZACIVSA-N 1 0 398.301 1.944 20 0 GDADRO Cn1cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(I)n1 ZINC000895345859 658688988 /nfs/dbraw/zinc/68/89/88/658688988.db2.gz WJYRANAOSHEHGO-ZDUSSCGKSA-N 1 0 390.269 1.056 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000895344064 658689114 /nfs/dbraw/zinc/68/91/14/658689114.db2.gz LCNKLTYQPYBGBQ-VBQJREDUSA-N 1 0 376.519 1.425 20 0 GDADRO O=S(=O)(CC[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1)CC(F)(F)F ZINC000895353284 658689959 /nfs/dbraw/zinc/68/99/59/658689959.db2.gz AIJMZPOICUURRF-UHFFFAOYSA-N 1 0 385.429 1.558 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1I)Cc1ccccc1 ZINC000895457680 658700875 /nfs/dbraw/zinc/70/08/75/658700875.db2.gz IKDDZEJEJGXYKZ-LBPRGKRZSA-N 1 0 398.248 1.917 20 0 GDADRO COC(=O)[C@@]1(C[NH2+]Cc2ccccc2OC(F)(F)F)C[C@@H]1S(C)(=O)=O ZINC000895509363 658706236 /nfs/dbraw/zinc/70/62/36/658706236.db2.gz RUNJCPMBKQIKCM-GXTWGEPZSA-N 1 0 381.372 1.651 20 0 GDADRO COC(=O)[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2N)C[C@@H]1S(C)(=O)=O ZINC000895510830 658706926 /nfs/dbraw/zinc/70/69/26/658706926.db2.gz UUQAFGBMOLPMCL-SMDDNHRTSA-N 1 0 381.281 1.642 20 0 GDADRO CCO/C=C/[C@](O)(C[NH2+]Cc1cnc(N2CCOCC2)s1)C(F)(F)F ZINC000895708929 658723293 /nfs/dbraw/zinc/72/32/93/658723293.db2.gz VUZIUJGRTUGYFS-ZRFDWSJLSA-N 1 0 381.420 1.913 20 0 GDADRO CCO/C=C\[C@](O)(C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)C(F)(F)F ZINC000895718743 658723883 /nfs/dbraw/zinc/72/38/83/658723883.db2.gz NWKQZQRVBKPJMW-YOOMMIOMSA-N 1 0 388.452 1.480 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)NCc1ccc(Br)c(F)c1F ZINC000895996811 658744314 /nfs/dbraw/zinc/74/43/14/658744314.db2.gz BSKCGRGZQAJFCQ-UHFFFAOYSA-N 1 0 392.244 1.983 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)c2c[nH]nc2I)CC1 ZINC000896022219 658745530 /nfs/dbraw/zinc/74/55/30/658745530.db2.gz RBVYTKBDXDDGTE-UHFFFAOYSA-N 1 0 376.242 1.866 20 0 GDADRO C[NH+]1CCC(CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000896051880 658747048 /nfs/dbraw/zinc/74/70/48/658747048.db2.gz VEOBEWWLPNMTMJ-OAHLLOKOSA-N 1 0 381.270 1.989 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896151540 658753956 /nfs/dbraw/zinc/75/39/56/658753956.db2.gz GGMMLZIZQHUWNL-RDJZCZTQSA-N 1 0 394.313 1.865 20 0 GDADRO C[C@H](NC(=O)COCCc1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896531088 658784562 /nfs/dbraw/zinc/78/45/62/658784562.db2.gz XHTWYKYCUJPSOK-YOEHRIQHSA-N 1 0 398.345 1.759 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000896539611 658787158 /nfs/dbraw/zinc/78/71/58/658787158.db2.gz RWTOQLKSTATSNF-IAQYHMDHSA-N 1 0 398.301 1.600 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896546785 658788407 /nfs/dbraw/zinc/78/84/07/658788407.db2.gz XJBBEQVPVSPRRD-BXUZGUMPSA-N 1 0 385.306 1.525 20 0 GDADRO C[C@@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)[C@H]1C[N@H+](C)CCN1C ZINC000896554354 658789116 /nfs/dbraw/zinc/78/91/16/658789116.db2.gz WDWCWZPGDCBYBV-MLGOLLRUSA-N 1 0 394.313 1.975 20 0 GDADRO C[C@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)[C@H]1C[N@H+](C)CCN1C ZINC000896554351 658789323 /nfs/dbraw/zinc/78/93/23/658789323.db2.gz WDWCWZPGDCBYBV-BLLLJJGKSA-N 1 0 394.313 1.975 20 0 GDADRO C[C@@H](NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1C[N@H+](C)CCN1C ZINC000896567217 658791093 /nfs/dbraw/zinc/79/10/93/658791093.db2.gz ZMPLEJDJOWYRQU-ABAIWWIYSA-N 1 0 384.311 1.934 20 0 GDADRO C[C@@H](NC(=O)c1ccc(I)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896582410 658791740 /nfs/dbraw/zinc/79/17/40/658791740.db2.gz WFWUMWGUDQBTFN-RISCZKNCSA-N 1 0 387.265 1.655 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1nn2c(c1Br)CCC2 ZINC000896611934 658797388 /nfs/dbraw/zinc/79/73/88/658797388.db2.gz ASSLATYVZHHOPU-LBPRGKRZSA-N 1 0 385.306 1.775 20 0 GDADRO CO[C@]1(C[NH2+]C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 ZINC000896681413 658800927 /nfs/dbraw/zinc/80/09/27/658800927.db2.gz BOQHQFRPWRULDC-YOEHRIQHSA-N 1 0 378.535 1.719 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCS(=O)(=O)C1 ZINC000896685558 658802048 /nfs/dbraw/zinc/80/20/48/658802048.db2.gz KIZVYWGZQAEDMC-DLBZAZTESA-N 1 0 376.519 1.427 20 0 GDADRO O=C(N1CCNC(=O)[C@H]1c1cccc(Br)c1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897269031 658836321 /nfs/dbraw/zinc/83/63/21/658836321.db2.gz WFBYTYHHQLVURG-QAPCUYQASA-N 1 0 392.297 1.935 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000897310472 658841901 /nfs/dbraw/zinc/84/19/01/658841901.db2.gz VITOFDQSGFHBMV-OAHLLOKOSA-N 1 0 379.254 1.909 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c[nH]nc1I ZINC000897320900 658842814 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C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1ncc(Br)cn1 ZINC000898401767 658934140 /nfs/dbraw/zinc/93/41/40/658934140.db2.gz YAHGQPNRSWZJDO-UHFFFAOYSA-N 1 0 393.289 1.908 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c[nH]nc1Br ZINC000898477197 658936865 /nfs/dbraw/zinc/93/68/65/658936865.db2.gz YFLRJBRCCDQOHB-VIFPVBQESA-N 1 0 390.282 1.956 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000899640452 659039700 /nfs/dbraw/zinc/03/97/00/659039700.db2.gz IXOJLMJWSLHXMC-SUMWQHHRSA-N 1 0 382.555 1.517 20 0 GDADRO C[N@H+](CCO)CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000899732075 659055908 /nfs/dbraw/zinc/05/59/08/659055908.db2.gz UMFWWAVTTAWAPA-HNNXBMFYSA-N 1 0 388.295 1.638 20 0 GDADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[N@H+](C)CCO ZINC000899734386 659056856 /nfs/dbraw/zinc/05/68/56/659056856.db2.gz CXNYZRDECYQMNH-UHFFFAOYSA-N 1 0 383.242 1.518 20 0 GDADRO OC1(Cc2cn(-c3ccccc3I)nn2)CC[NH2+]CC1 ZINC000899745204 659058392 /nfs/dbraw/zinc/05/83/92/659058392.db2.gz BLGPKDKHLDAERW-UHFFFAOYSA-N 1 0 384.221 1.529 20 0 GDADRO NS(=O)(=O)c1ccc(SCC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000900274813 659097485 /nfs/dbraw/zinc/09/74/85/659097485.db2.gz VYUPILSUOAJZRC-UHFFFAOYSA-N 1 0 383.539 1.417 20 0 GDADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000900299480 659098555 /nfs/dbraw/zinc/09/85/55/659098555.db2.gz FYNZKECKAZYLCI-BBRMVZONSA-N 1 0 384.274 1.349 20 0 GDADRO C[C@@H](CNC(=O)Cn1nc(Br)c(Br)n1)[N@H+](C)C1CC1 ZINC000900545016 659119695 /nfs/dbraw/zinc/11/96/95/659119695.db2.gz ZHLDKGKDVKSKHF-ZETCQYMHSA-N 1 0 395.099 1.402 20 0 GDADRO C[C@@H](c1ncc(Br)cn1)n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900572149 659122586 /nfs/dbraw/zinc/12/25/86/659122586.db2.gz MQBWPJOXDMWAPB-NSHDSACASA-N 1 0 380.294 1.624 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)Cn2nc(Br)c(Br)n2)C1 ZINC000900590851 659124843 /nfs/dbraw/zinc/12/48/43/659124843.db2.gz PONPMPYUULTKOC-ZETCQYMHSA-N 1 0 381.072 1.014 20 0 GDADRO C[C@H](NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[C@@H]1C[N@H+](C)CCN1C ZINC000900812129 659149146 /nfs/dbraw/zinc/14/91/46/659149146.db2.gz RXDOOTJPEMWSGQ-ZANVPECISA-N 1 0 396.289 1.395 20 0 GDADRO C[C@@H](NC(=O)COc1ccc(C=O)cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000900811697 659149181 /nfs/dbraw/zinc/14/91/81/659149181.db2.gz NETAQPFJEOBSLJ-IUODEOHRSA-N 1 0 398.301 1.391 20 0 GDADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000900829904 659151177 /nfs/dbraw/zinc/15/11/77/659151177.db2.gz YMPGDBLRZWXDLH-IINYFYTJSA-N 1 0 381.782 1.704 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc2ncc(Br)cn2n1 ZINC000901058021 659184539 /nfs/dbraw/zinc/18/45/39/659184539.db2.gz PMLYBMYWFHPHNP-ZDUSSCGKSA-N 1 0 394.273 1.475 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000901069484 659185749 /nfs/dbraw/zinc/18/57/49/659185749.db2.gz MVSQEGICZHTVFR-YVEFUNNKSA-N 1 0 391.295 1.696 20 0 GDADRO CS[C@@H]1CN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000901228520 659204276 /nfs/dbraw/zinc/20/42/76/659204276.db2.gz HVNDKYWINYQMES-VXGBXAGGSA-N 1 0 391.324 1.622 20 0 GDADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cn1nnn(Cc2cccs2)c1=S ZINC000902641955 659269665 /nfs/dbraw/zinc/26/96/65/659269665.db2.gz CVQAZRAVGRBYPS-GJZGRUSLSA-N 1 0 380.543 1.407 20 0 GDADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@]1(F)CCS(=O)(=O)C1 ZINC000902991504 659287100 /nfs/dbraw/zinc/28/71/00/659287100.db2.gz TYAPDZQQGZZAOU-QGZVFWFLSA-N 1 0 386.514 1.743 20 0 GDADRO CCOC(=O)N1CCC([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000903189365 659300209 /nfs/dbraw/zinc/30/02/09/659300209.db2.gz UZGROEVZOLAVLQ-UHFFFAOYSA-N 1 0 375.535 1.838 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903503215 659319633 /nfs/dbraw/zinc/31/96/33/659319633.db2.gz AMIORWHJDOLVHB-NSHDSACASA-N 1 0 398.291 1.869 20 0 GDADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1c[nH]c2cc(Br)ccc21 ZINC000903503535 659319676 /nfs/dbraw/zinc/31/96/76/659319676.db2.gz KRRIWRYMVNFZDL-LLVKDONJSA-N 1 0 388.287 1.587 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(I)s2)C1 ZINC000903504093 659320066 /nfs/dbraw/zinc/32/00/66/659320066.db2.gz RAICDJPAWATILT-SFYZADRCSA-N 1 0 386.280 1.758 20 0 GDADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 ZINC000903514711 659323651 /nfs/dbraw/zinc/32/36/51/659323651.db2.gz MIGQCSRUZBOUKY-LLVKDONJSA-N 1 0 381.420 1.265 20 0 GDADRO CC1([NH3+])CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC1 ZINC000903517098 659324301 /nfs/dbraw/zinc/32/43/01/659324301.db2.gz FBVDPFPKUHFRMF-UHFFFAOYSA-N 1 0 391.287 1.821 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)c(Br)n1 ZINC000903522527 659328351 /nfs/dbraw/zinc/32/83/51/659328351.db2.gz HYWJKLIVEKGGKV-UHFFFAOYSA-N 1 0 379.324 1.568 20 0 GDADRO CN(CC(C)(C)[NH3+])S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903525574 659329492 /nfs/dbraw/zinc/32/94/92/659329492.db2.gz WBLVYDAWEABPFL-UHFFFAOYSA-N 1 0 379.276 1.677 20 0 GDADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903535156 659332047 /nfs/dbraw/zinc/33/20/47/659332047.db2.gz MMUPLFWKDOWMQN-UPJWGTAASA-N 1 0 376.906 1.888 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903536626 659332315 /nfs/dbraw/zinc/33/23/15/659332315.db2.gz GTPFAJXYMYKETR-PBHICJAKSA-N 1 0 386.539 1.762 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903536627 659332469 /nfs/dbraw/zinc/33/24/69/659332469.db2.gz GTPFAJXYMYKETR-RHSMWYFYSA-N 1 0 386.539 1.762 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903551085 659338346 /nfs/dbraw/zinc/33/83/46/659338346.db2.gz UQOBQUBEXSTEBL-ZDUSSCGKSA-N 1 0 391.287 1.595 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000903553829 659338939 /nfs/dbraw/zinc/33/89/39/659338939.db2.gz DFFQQZNOEUCCPM-GFCCVEGCSA-N 1 0 378.420 1.614 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1F ZINC000903559514 659340703 /nfs/dbraw/zinc/34/07/03/659340703.db2.gz UJCFRVMQWKEQDB-FXBDTBDDSA-N 1 0 379.251 1.768 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000903560514 659340731 /nfs/dbraw/zinc/34/07/31/659340731.db2.gz HMDDQKSKTRGMFX-XXILOJSOSA-N 1 0 384.401 1.151 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NCCCCCC1CC[NH2+]CC1 ZINC000903561612 659341532 /nfs/dbraw/zinc/34/15/32/659341532.db2.gz LMJZWSMZFHQAFK-UHFFFAOYSA-N 1 0 375.516 1.768 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000903565192 659342432 /nfs/dbraw/zinc/34/24/32/659342432.db2.gz FSHXOVFKGXAXGF-UHFFFAOYSA-N 1 0 396.738 1.804 20 0 GDADRO Cc1nc(-c2ccc(S(=O)(=O)NCCN3CCC([NH3+])CC3)s2)cs1 ZINC000903566153 659343435 /nfs/dbraw/zinc/34/34/35/659343435.db2.gz JXOIQNFIDWWWHS-UHFFFAOYSA-N 1 0 386.568 1.881 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCCC[NH2+]2)c(Cl)s1 ZINC000903568522 659343821 /nfs/dbraw/zinc/34/38/21/659343821.db2.gz YUECFYKGEYWRLJ-VIFPVBQESA-N 1 0 386.948 1.616 20 0 GDADRO CCOC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903579145 659349940 /nfs/dbraw/zinc/34/99/40/659349940.db2.gz LWMAXKPRVHBYQB-QWHCGFSZSA-N 1 0 380.388 1.764 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1ccc(I)s1 ZINC000903582983 659352811 /nfs/dbraw/zinc/35/28/11/659352811.db2.gz ANHHCLZHXDABND-GZMMTYOYSA-N 1 0 398.291 1.855 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(CC[NH2+]C)C(C)C)cc1 ZINC000903587799 659355361 /nfs/dbraw/zinc/35/53/61/659355361.db2.gz AVVNGFRAIMEOEA-UHFFFAOYSA-N 1 0 391.559 1.336 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000903588714 659355439 /nfs/dbraw/zinc/35/54/39/659355439.db2.gz JFTSGUCVDCGHJX-ABAIWWIYSA-N 1 0 387.299 1.886 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])c(C)c1Cl ZINC000903590336 659356322 /nfs/dbraw/zinc/35/63/22/659356322.db2.gz VNUFXWDZKBHMFG-OTYXRUKQSA-N 1 0 378.903 1.998 20 0 GDADRO C[C@H](CN(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)c1nccs1 ZINC000903750695 659378641 /nfs/dbraw/zinc/37/86/41/659378641.db2.gz QTLBMUFKQNJWRE-VWYCJHECSA-N 1 0 378.420 1.443 20 0 GDADRO O=C1NCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]1c1cccc(Br)c1 ZINC000903755137 659379141 /nfs/dbraw/zinc/37/91/41/659379141.db2.gz BHXPNGYPJSDGKY-LZLYRXPVSA-N 1 0 394.313 1.691 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)C[C@H]1C(F)(F)F ZINC000903777097 659380078 /nfs/dbraw/zinc/38/00/78/659380078.db2.gz RHFNEQTVAGNGQN-IWSPIJDZSA-N 1 0 393.353 1.088 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](c3nccs3)C2)CC[C@H]1C(F)(F)F ZINC000903775793 659380149 /nfs/dbraw/zinc/38/01/49/659380149.db2.gz GQYQNGOGCBXPQR-GMTAPVOTSA-N 1 0 376.404 1.197 20 0 GDADRO C[C@@H]1c2sccc2CCN1C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903777233 659380181 /nfs/dbraw/zinc/38/01/81/659380181.db2.gz VBYWZBLXZLCBGW-ADEWGFFLSA-N 1 0 375.416 1.932 20 0 GDADRO [NH3+][C@@H]1CN(CCS(=O)(=O)c2nc3ccccc3s2)C[C@H]1C(F)(F)F ZINC000903784744 659380504 /nfs/dbraw/zinc/38/05/04/659380504.db2.gz REONMJSHSUPPKW-NXEZZACHSA-N 1 0 379.429 1.891 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)CC[C@H]1[NH3+] ZINC000903791516 659380848 /nfs/dbraw/zinc/38/08/48/659380848.db2.gz GSXZGBLHMAXJHB-QMTHXVAHSA-N 1 0 398.276 1.669 20 0 GDADRO O=C(C(=O)N1CCS[C@@H](C(F)(F)F)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903799839 659381537 /nfs/dbraw/zinc/38/15/37/659381537.db2.gz ZFXKTUDVEYGKAR-QWHCGFSZSA-N 1 0 379.448 1.341 20 0 GDADRO CN(CCS(=O)(=O)c1ccc(Br)cc1)C1(C[NH3+])CCOCC1 ZINC000903804242 659382139 /nfs/dbraw/zinc/38/21/39/659382139.db2.gz CESLFGIOEVNWFQ-UHFFFAOYSA-N 1 0 391.331 1.663 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000903831866 659383022 /nfs/dbraw/zinc/38/30/22/659383022.db2.gz XTGUCTHSQOSLAV-NSHDSACASA-N 1 0 392.244 1.976 20 0 GDADRO COC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(I)cc1 ZINC000903874701 659385953 /nfs/dbraw/zinc/38/59/53/659385953.db2.gz HSVFUIKRVNMJNL-CYBMUJFWSA-N 1 0 389.237 1.150 20 0 GDADRO [NH3+][C@H](CC(F)F)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000903906334 659389254 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20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905000019 659416195 /nfs/dbraw/zinc/41/61/95/659416195.db2.gz IBQFWEOOUGZQQF-ZUZCIYMTSA-N 1 0 386.315 1.809 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905000017 659416253 /nfs/dbraw/zinc/41/62/53/659416253.db2.gz IBQFWEOOUGZQQF-BONVTDFDSA-N 1 0 386.315 1.809 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905010209 659416748 /nfs/dbraw/zinc/41/67/48/659416748.db2.gz UTLORSZFUTXOFV-YVEFUNNKSA-N 1 0 398.276 1.886 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC2(O)CCCC2)s1 ZINC000905031071 659418259 /nfs/dbraw/zinc/41/82/59/659418259.db2.gz KVOJLBLNHIALKK-AWEZNQCLSA-N 1 0 390.571 1.924 20 0 GDADRO O[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C[C@@]1(O)CCOC1 ZINC000905066395 659420222 /nfs/dbraw/zinc/42/02/22/659420222.db2.gz VBQYADPGMWHVBK-LRDDRELGSA-N 1 0 388.258 1.212 20 0 GDADRO O[C@H](C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)C1(O)CCOCC1 ZINC000905136641 659426229 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GDADRO COc1ccc(CCNS(=O)(=O)CC2CC[NH2+]CC2)cc1OC(F)F ZINC000905340862 659444436 /nfs/dbraw/zinc/44/44/36/659444436.db2.gz TVYQJXQZDFMEBX-UHFFFAOYSA-N 1 0 378.441 1.758 20 0 GDADRO O=C1[C@H](NS(=O)(=O)CC2CC[NH2+]CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000905342829 659444491 /nfs/dbraw/zinc/44/44/91/659444491.db2.gz LXIQRFSYSYHIGO-OAHLLOKOSA-N 1 0 389.880 1.503 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000905352725 659445796 /nfs/dbraw/zinc/44/57/96/659445796.db2.gz UNORIVXDZZFSDZ-INIZCTEOSA-N 1 0 386.539 1.823 20 0 GDADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000905359212 659447107 /nfs/dbraw/zinc/44/71/07/659447107.db2.gz MYGMBBXINLMBMO-INIZCTEOSA-N 1 0 386.539 1.489 20 0 GDADRO CC(C)[C@H](O)C(C)(C)C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905367997 659448239 /nfs/dbraw/zinc/44/82/39/659448239.db2.gz XBMKFZWUOBPOET-GJZGRUSLSA-N 1 0 378.579 1.621 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CCC2SCCS2)CCC1 ZINC000905379736 659450154 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20 0 GDADRO CO[C@]1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCS(=O)(=O)C1 ZINC000905550584 659463998 /nfs/dbraw/zinc/46/39/98/659463998.db2.gz AIPGOOUMHAPFQM-WFASDCNBSA-N 1 0 398.308 1.526 20 0 GDADRO S=C(NCCc1cccs1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000905556375 659464935 /nfs/dbraw/zinc/46/49/35/659464935.db2.gz QXHQVADYDXIYBO-MRXNPFEDSA-N 1 0 382.599 1.551 20 0 GDADRO Cn1nnc2c1C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000905632827 659470514 /nfs/dbraw/zinc/47/05/14/659470514.db2.gz IVQUTVIOMPCHTC-CHWSQXEVSA-N 1 0 381.274 1.464 20 0 GDADRO Cn1nccc1[C@@H](O)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000905626831 659470767 /nfs/dbraw/zinc/47/07/67/659470767.db2.gz SEZBNFFJZORYLT-WFASDCNBSA-N 1 0 388.237 1.385 20 0 GDADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000905654953 659471807 /nfs/dbraw/zinc/47/18/07/659471807.db2.gz JMAIOUHUJHYLAH-ZDUSSCGKSA-N 1 0 376.519 1.161 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000905664550 659472815 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COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906727987 659576978 /nfs/dbraw/zinc/57/69/78/659576978.db2.gz SUUKXGPVKWNVIR-ADEWGFFLSA-N 1 0 382.258 1.714 20 0 GDADRO O=C(Nc1cccc(I)c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906728572 659577233 /nfs/dbraw/zinc/57/72/33/659577233.db2.gz LBSDCBMADDNIQI-GRYCIOLGSA-N 1 0 385.205 1.239 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000906751609 659581632 /nfs/dbraw/zinc/58/16/32/659581632.db2.gz ZCZZSXVPIDDADM-LLVKDONJSA-N 1 0 388.237 1.364 20 0 GDADRO O=C(C(=O)N1CCC[C@@]12CC[NH2+]C2)N1CCc2cc(Br)cc(F)c21 ZINC000906766025 659584140 /nfs/dbraw/zinc/58/41/40/659584140.db2.gz SCDSSLGECCCOKD-KRWDZBQOSA-N 1 0 396.260 1.832 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cn(C)nc1I ZINC000906816040 659593216 /nfs/dbraw/zinc/59/32/16/659593216.db2.gz AKVHCZYIIADGJI-LLVKDONJSA-N 1 0 390.269 1.971 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)oc1Cl ZINC000906978245 659633493 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1.595 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000907726057 659817378 /nfs/dbraw/zinc/81/73/78/659817378.db2.gz FAJMRNSKUDOJPC-UHFFFAOYSA-N 1 0 390.347 1.325 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000907737400 659819280 /nfs/dbraw/zinc/81/92/80/659819280.db2.gz LHCWGIPTVXXNPT-QEORTHHSSA-N 1 0 385.302 1.171 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000907805264 659833706 /nfs/dbraw/zinc/83/37/06/659833706.db2.gz ISKBCGWGTSGJCW-MRXNPFEDSA-N 1 0 395.345 1.637 20 0 GDADRO O=C(COCCc1ccc(Br)cc1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000908028260 659857736 /nfs/dbraw/zinc/85/77/36/659857736.db2.gz MBHKHPREDFBZPU-KRWDZBQOSA-N 1 0 396.329 1.514 20 0 GDADRO O=C(COCCc1ccc(Br)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908199419 659881100 /nfs/dbraw/zinc/88/11/00/659881100.db2.gz DYENZAVCEZIUEL-IAGOWNOFSA-N 1 0 397.313 1.676 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000908360419 659900933 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C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCS[C@H](C(F)(F)F)C3)C2)C1 ZINC000910845816 659986014 /nfs/dbraw/zinc/98/60/14/659986014.db2.gz SPKLUTLGALSANT-WFASDCNBSA-N 1 0 379.448 1.437 20 0 GDADRO O=C(NCCSCc1ccnc(Cl)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000910950362 659989090 /nfs/dbraw/zinc/98/90/90/659989090.db2.gz OXNDPHOFBDUAQD-UONOGXRCSA-N 1 0 382.917 1.152 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000910969832 659989507 /nfs/dbraw/zinc/98/95/07/659989507.db2.gz HUTGTWCTJCFRFO-RISCZKNCSA-N 1 0 382.302 1.692 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCc1cc(Br)ccc1F)C2 ZINC000911003277 659990419 /nfs/dbraw/zinc/99/04/19/659990419.db2.gz HYDYAIRGOXWYRX-BPNCWPANSA-N 1 0 398.276 1.585 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911028879 659991270 /nfs/dbraw/zinc/99/12/70/659991270.db2.gz LCGMQLUDHMWNST-UXIGCNINSA-N 1 0 382.302 1.740 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000911041820 659992125 /nfs/dbraw/zinc/99/21/25/659992125.db2.gz XIEUSIACJOSDHH-SUNKGSAMSA-N 1 0 396.285 1.361 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C[C@H]1C[NH3+] ZINC000911055863 659992756 /nfs/dbraw/zinc/99/27/56/659992756.db2.gz QCBMVALOMGVUEL-CHWSQXEVSA-N 1 0 394.313 1.650 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000911062384 659993014 /nfs/dbraw/zinc/99/30/14/659993014.db2.gz UWVLTVKIHJPJJK-QGHHPUGFSA-N 1 0 378.885 1.906 20 0 GDADRO O=C(NCc1sccc1Br)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911138798 659996557 /nfs/dbraw/zinc/99/65/57/659996557.db2.gz VUZCNBUIHOYYGK-IUODEOHRSA-N 1 0 386.315 1.775 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)Sc1ccccc1 ZINC000911204891 659998314 /nfs/dbraw/zinc/99/83/14/659998314.db2.gz ADSOEVHJEYUEHH-CYZMBNFOSA-N 1 0 375.416 1.631 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)Oc1ccc(Br)cc1 ZINC000911208664 659998576 /nfs/dbraw/zinc/99/85/76/659998576.db2.gz NNUNZKOMRSIKER-DZGBDDFRSA-N 1 0 396.285 1.342 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911249948 659999654 /nfs/dbraw/zinc/99/96/54/659999654.db2.gz NNGNEMJZYOBNEE-IUODEOHRSA-N 1 0 386.315 1.775 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911256986 660000722 /nfs/dbraw/zinc/00/07/22/660000722.db2.gz YNPUREFCVGMVMN-IINYFYTJSA-N 1 0 398.301 1.749 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000911257073 660000779 /nfs/dbraw/zinc/00/07/79/660000779.db2.gz CTHQBMAHJKPZAP-RAIGVLPGSA-N 1 0 385.295 1.542 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC000911273467 660001240 /nfs/dbraw/zinc/00/12/40/660001240.db2.gz BUGNSAPSAROJEE-NSHDSACASA-N 1 0 398.276 1.589 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000911277591 660001417 /nfs/dbraw/zinc/00/14/17/660001417.db2.gz VPMOVAIELMHNCT-CABCVRRESA-N 1 0 395.301 1.766 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000911301540 660002363 /nfs/dbraw/zinc/00/23/63/660002363.db2.gz CKPKMAWVEGPZAC-ZWNOBZJWSA-N 1 0 384.274 1.331 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C[C@H]1[NH3+] ZINC000911358638 660004855 /nfs/dbraw/zinc/00/48/55/660004855.db2.gz QHKIIKHZPYUMJR-GFCCVEGCSA-N 1 0 375.803 1.753 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000911374693 660005913 /nfs/dbraw/zinc/00/59/13/660005913.db2.gz MFTIMRODAKCKTJ-KMUNFCNLSA-N 1 0 386.279 1.617 20 0 GDADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911375283 660006132 /nfs/dbraw/zinc/00/61/32/660006132.db2.gz ULZDLCLNHCFOER-IUODEOHRSA-N 1 0 382.302 1.910 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2C)C1 ZINC000911427604 660007338 /nfs/dbraw/zinc/00/73/38/660007338.db2.gz KRBNCYZJKRRXBZ-CQSZACIVSA-N 1 0 396.329 1.874 20 0 GDADRO CCCN(C(=O)c1cn(C)nc1I)[C@@H]1CC[N@H+](C)C1 ZINC000911510663 660009327 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1.632 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)Nc1nc(-c2cccs2)cs1 ZINC000911968460 660022645 /nfs/dbraw/zinc/02/26/45/660022645.db2.gz XRTFWPXTVUWSHZ-GIPNMCIBSA-N 1 0 383.520 1.833 20 0 GDADRO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000912014890 660024310 /nfs/dbraw/zinc/02/43/10/660024310.db2.gz QFMGBIMZVGBCPV-DVOMOZLQSA-N 1 0 383.901 1.919 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000912114971 660027686 /nfs/dbraw/zinc/02/76/86/660027686.db2.gz YOOCGIPOAXVJAP-GHMZBOCLSA-N 1 0 379.404 1.711 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)N[C@](C)(CO)c1ccc(Br)cc1 ZINC000912174511 660028975 /nfs/dbraw/zinc/02/89/75/660028975.db2.gz PFAZSQCZESQTOY-QGZVFWFLSA-N 1 0 395.301 1.845 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1c[nH]nc1Br ZINC000912190519 660029172 /nfs/dbraw/zinc/02/91/72/660029172.db2.gz ILWLYKKNZRCEDU-UHFFFAOYSA-N 1 0 379.262 1.718 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC000912243220 660030666 /nfs/dbraw/zinc/03/06/66/660030666.db2.gz DPZYEKZWRWPHBE-MPKXVKKWSA-N 1 0 387.299 1.719 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)Nc1ccc(Br)c(F)c1 ZINC000912248124 660030860 /nfs/dbraw/zinc/03/08/60/660030860.db2.gz MWSQTYYEZPQUTL-DFAYQTQMSA-N 1 0 391.262 1.549 20 0 GDADRO C[C@@]1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C[C@@H](O)C[NH2+]1 ZINC000912289268 660031784 /nfs/dbraw/zinc/03/17/84/660031784.db2.gz LQXMPOPDWPQKDF-PXAZEXFGSA-N 1 0 386.279 1.391 20 0 GDADRO COCc1cccc(CNC(=O)c2cc(Br)cn(CC[NH3+])c2=O)c1 ZINC000912351229 660033451 /nfs/dbraw/zinc/03/34/51/660033451.db2.gz MDWZLTLNPVZRLY-UHFFFAOYSA-N 1 0 394.269 1.646 20 0 GDADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000912385504 660034750 /nfs/dbraw/zinc/03/47/50/660034750.db2.gz GKTVVHBYZUCZBP-ZIAGYGMSSA-N 1 0 395.714 1.991 20 0 GDADRO C[NH+](C)CCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000912592944 660043720 /nfs/dbraw/zinc/04/37/20/660043720.db2.gz RKCZYXKQTOEVFU-UHFFFAOYSA-N 1 0 390.889 1.469 20 0 GDADRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(Cl)sc2S(N)(=O)=O)C12CCC2 ZINC000912598584 660043947 /nfs/dbraw/zinc/04/39/47/660043947.db2.gz FTFBLNXVEFNALX-UWVGGRQHSA-N 1 0 377.919 1.652 20 0 GDADRO CC[C@@H]1CN(C(=O)Cn2nc(Br)c(Br)n2)C[C@H](C)[NH2+]1 ZINC000912730870 660050576 /nfs/dbraw/zinc/05/05/76/660050576.db2.gz DRWXYYSUAUJZQB-JGVFFNPUSA-N 1 0 395.099 1.402 20 0 GDADRO O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCC([NH+]2CCC2)CC1 ZINC000912882324 660057444 /nfs/dbraw/zinc/05/74/44/660057444.db2.gz DMHDXBXYXBUELG-UHFFFAOYSA-N 1 0 383.539 1.843 20 0 GDADRO O=C(N[C@@]1(CO)CCc2cc(Br)ccc2C1)C12CC[NH+](CC1)C2 ZINC000913002026 660063060 /nfs/dbraw/zinc/06/30/60/660063060.db2.gz BGRRROJAMZUNMY-SFHVURJKSA-N 1 0 379.298 1.881 20 0 GDADRO O=C(N[C@]1(CO)CCc2cc(Br)ccc2C1)C12CC[NH+](CC1)C2 ZINC000913002025 660063083 /nfs/dbraw/zinc/06/30/83/660063083.db2.gz BGRRROJAMZUNMY-GOSISDBHSA-N 1 0 379.298 1.881 20 0 GDADRO O=C(CNC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Br)c(F)c1 ZINC000913363564 660077642 /nfs/dbraw/zinc/07/76/42/660077642.db2.gz XVCREYVGFBXDSM-UHFFFAOYSA-N 1 0 399.260 1.998 20 0 GDADRO COc1ccc(Br)c(CC(=O)N2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000913679163 660091986 /nfs/dbraw/zinc/09/19/86/660091986.db2.gz OSQLSVQDTXXPSM-UHFFFAOYSA-N 1 0 385.302 1.915 20 0 GDADRO NS(=O)(=O)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000913891468 660103007 /nfs/dbraw/zinc/10/30/07/660103007.db2.gz QTJLKQWBSQWKQY-KBPBESRZSA-N 1 0 386.543 1.205 20 0 GDADRO Cc1ccc(NC(=O)CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)c(Cl)c1 ZINC000914011007 660109886 /nfs/dbraw/zinc/10/98/86/660109886.db2.gz MLMONAGUZXPEHJ-KRWDZBQOSA-N 1 0 385.917 1.992 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1occc1Br ZINC000914275234 660134914 /nfs/dbraw/zinc/13/49/14/660134914.db2.gz KMTGJKFYSCEHCJ-WXHSDQCUSA-N 1 0 393.303 1.914 20 0 GDADRO COC(=O)c1cc(OC)ccc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000914303459 660137463 /nfs/dbraw/zinc/13/74/63/660137463.db2.gz AGEUSESTFLVTPX-KBPBESRZSA-N 1 0 388.511 1.148 20 0 GDADRO COc1c(F)cc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1F ZINC000914388314 660145304 /nfs/dbraw/zinc/14/53/04/660145304.db2.gz RQFMTNASUOYDFO-LBPRGKRZSA-N 1 0 377.457 1.278 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](O)COCC(C)C ZINC000140114037 677676533 /nfs/dbraw/zinc/67/65/33/677676533.db2.gz VGDFUXCHHLHFBW-UONOGXRCSA-N 1 0 393.937 1.328 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1I)[NH+]1CCCCC1 ZINC000393694802 677678140 /nfs/dbraw/zinc/67/81/40/677678140.db2.gz OGWIQUOGDFJOJF-SNVBAGLBSA-N 1 0 376.242 1.629 20 0 GDADRO C[NH2+]CCOCCNC(=O)Nc1ccc(F)cc1I ZINC000599607893 677678968 /nfs/dbraw/zinc/67/89/68/677678968.db2.gz CORRVUKDEAZVLS-UHFFFAOYSA-N 1 0 381.189 1.788 20 0 GDADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3cccc(Cl)c3Cl)C[C@H]2O)CC[N@@H+]1C ZINC001077023812 677680464 /nfs/dbraw/zinc/68/04/64/677680464.db2.gz ULFUFEGDPBADOJ-UIBBOPPKSA-N 1 0 386.323 1.995 20 0 GDADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC([NH3+])C3)CC2)c1 ZINC001164387724 718801930 /nfs/dbraw/zinc/80/19/30/718801930.db2.gz NHAIDDBUXBBAHF-UHFFFAOYSA-N 1 0 380.848 1.635 20 0 GDADRO O=C1CN(C(Cl)(Cl)Oc2ccc(Cl)nc2)CC2(CC[NH2+]CC2)N1 ZINC001164393145 718809967 /nfs/dbraw/zinc/80/99/67/718809967.db2.gz QQLBDLCITGEUSO-UHFFFAOYSA-N 1 0 379.675 1.757 20 0 GDADRO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@@H]3C2)cnc1Cl ZINC001164390283 718826509 /nfs/dbraw/zinc/82/65/09/718826509.db2.gz NJUOZFCBVLXBOV-VXGBXAGGSA-N 1 0 395.859 1.641 20 0 GDADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c(Cl)n1 ZINC001164405826 718852692 /nfs/dbraw/zinc/85/26/92/718852692.db2.gz MSYFOMYJQPEIRJ-BMIGLBTASA-N 1 0 375.803 1.475 20 0 GDADRO CCOC(=O)c1cnc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)nc1Cl ZINC001164402657 718861513 /nfs/dbraw/zinc/86/15/13/718861513.db2.gz KPVSHZFOHBBTNE-CMPLNLGQSA-N 1 0 390.818 1.666 20 0 GDADRO O=C(c1cccnc1N1CCC[C@@H]2[NH2+]C[C@H]21)N1CCN(Cc2ccccc2)CC1 ZINC001164450745 718997640 /nfs/dbraw/zinc/99/76/40/718997640.db2.gz 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CCO[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288961 945995844 /nfs/dbraw/zinc/99/58/44/945995844.db2.gz VLAGVWJKTFBGGD-NVXWUHKLSA-N 1 0 388.447 1.511 20 0 GDADRO Cc1nonc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](C)C1 ZINC001571289422 946007573 /nfs/dbraw/zinc/00/75/73/946007573.db2.gz CRZLKNVKVDWVTF-MWLCHTKSSA-N 1 0 388.457 1.118 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001571290186 946031933 /nfs/dbraw/zinc/03/19/33/946031933.db2.gz XEZMYKNGATWFTD-VNHYZAJKSA-N 1 0 388.497 1.388 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCc2cccnc21 ZINC001571294507 946135862 /nfs/dbraw/zinc/13/58/62/946135862.db2.gz HWDFDZSAMSSQQN-KZNAEPCWSA-N 1 0 389.463 1.729 20 0 GDADRO O=C(CCc1cncs1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295019 946151472 /nfs/dbraw/zinc/15/14/72/946151472.db2.gz NPRXAHJBEDBESV-NSHDSACASA-N 1 0 389.510 1.708 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@@H]2C1 ZINC001571295441 946164941 /nfs/dbraw/zinc/16/49/41/946164941.db2.gz SYONXODELAKHGM-ZRGWGRIASA-N 1 0 389.463 1.886 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1CNC(=O)C1=COCCO1 ZINC001571298248 946210613 /nfs/dbraw/zinc/21/06/13/946210613.db2.gz LDDOFEGVPPOEGK-VXGBXAGGSA-N 1 0 390.469 1.001 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001571298756 946227193 /nfs/dbraw/zinc/22/71/93/946227193.db2.gz QOJKJYIXZXUZHF-DOMZBBRYSA-N 1 0 390.463 1.493 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571300300 946276708 /nfs/dbraw/zinc/27/67/08/946276708.db2.gz ZFEIHZYFYCRXMM-GXTWGEPZSA-N 1 0 390.879 1.094 20 0 GDADRO C[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCO1 ZINC001571300269 946278128 /nfs/dbraw/zinc/27/81/28/946278128.db2.gz YGRCCEMDPIOXSD-FQUUOJAGSA-N 1 0 390.513 1.728 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(-c2nn[nH]n2)c1Br ZINC001571301849 946284834 /nfs/dbraw/zinc/28/48/34/946284834.db2.gz FSPAJCOJKJPQLR-NSHDSACASA-N 1 0 391.273 1.843 20 0 GDADRO O=C(NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1COc2ccccc21 ZINC001571302949 946320411 /nfs/dbraw/zinc/32/04/11/946320411.db2.gz FKBUSHNSVBXXEP-INIZCTEOSA-N 1 0 391.435 1.523 20 0 GDADRO Cc1cc(N2CCC3(C[C@@H]3NC(=O)c3ccnnc3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571303843 946349322 /nfs/dbraw/zinc/34/93/22/946349322.db2.gz ZDZQAWZMQOMZGR-INIZCTEOSA-N 1 0 391.439 1.149 20 0 GDADRO O=C(Cc1ccc[nH]1)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571305509 946364780 /nfs/dbraw/zinc/36/47/80/946364780.db2.gz CRUKQNNRFOPPAR-NRFANRHFSA-N 1 0 391.479 1.862 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)cn1 ZINC001571305767 946375483 /nfs/dbraw/zinc/37/54/83/946375483.db2.gz BXSLGKOHUILDPD-HNAYVOBHSA-N 1 0 391.479 1.892 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC001571306348 946396787 /nfs/dbraw/zinc/39/67/87/946396787.db2.gz TWQKUNFJWLSFKF-OAHLLOKOSA-N 1 0 391.479 1.758 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571306828 946411066 /nfs/dbraw/zinc/41/10/66/946411066.db2.gz RDEPNBDRPKKPOE-DNVCBOLYSA-N 1 0 391.479 1.831 20 0 GDADRO COc1cccc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571310329 946469080 /nfs/dbraw/zinc/46/90/80/946469080.db2.gz BOVODPCTKMVUJS-CALCHBBNSA-N 1 0 392.463 1.855 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cccnn2)[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571313253 946516311 /nfs/dbraw/zinc/51/63/11/946516311.db2.gz LKEMRFAZGLTBFY-PBHICJAKSA-N 1 0 392.467 1.687 20 0 GDADRO C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[nH]n3)C2)c1 ZINC001571313893 946534718 /nfs/dbraw/zinc/53/47/18/946534718.db2.gz XSJGFLGRISVNBA-MRXNPFEDSA-N 1 0 392.467 1.650 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571314053 946540746 /nfs/dbraw/zinc/54/07/46/946540746.db2.gz ZGBHJFKHXUWTJC-GDBMZVCRSA-N 1 0 392.467 1.218 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314914 946544596 /nfs/dbraw/zinc/54/45/96/946544596.db2.gz DMMNWFZNXKCNQF-FZKQIMNGSA-N 1 0 392.467 1.576 20 0 GDADRO Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571316129 946567431 /nfs/dbraw/zinc/56/74/31/946567431.db2.gz URKHABLYOMNBRO-IRXDYDNUSA-N 1 0 392.467 1.777 20 0 GDADRO O=C(NC[C@H]1CCCCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)c1ncccn1 ZINC001571316368 946574744 /nfs/dbraw/zinc/57/47/44/946574744.db2.gz AXJIYZLTONVDEL-QGZVFWFLSA-N 1 0 392.467 1.831 20 0 GDADRO Cn1cccc1C(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H]2C1 ZINC001571316872 946590745 /nfs/dbraw/zinc/59/07/45/946590745.db2.gz ORUNYCDQDSSOGL-CWRNSKLLSA-N 1 0 392.467 1.375 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cn1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001571316923 946591526 /nfs/dbraw/zinc/59/15/26/946591526.db2.gz QBYXAGCHLDVVJQ-UHFFFAOYSA-N 1 0 392.467 1.586 20 0 GDADRO Cc1cnccc1CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571317081 946599953 /nfs/dbraw/zinc/59/99/53/946599953.db2.gz VBLFAPDYOGBZPH-GDBMZVCRSA-N 1 0 392.467 1.421 20 0 GDADRO Cc1cncc(CC(=O)N[C@H]2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)c1 ZINC001571317254 946604300 /nfs/dbraw/zinc/60/43/00/946604300.db2.gz ZJRBFFFKJCFXHF-WKILWMFISA-N 1 0 392.467 1.469 20 0 GDADRO CC[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1snc(C)c1-c1nn[nH]n1)[NH+](C)C ZINC001571317510 946612158 /nfs/dbraw/zinc/61/21/58/946612158.db2.gz KNCLYADIJCKOKV-OLZOCXBDSA-N 1 0 392.533 1.399 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCc2n[nH]cc2C1 ZINC001571317688 946619078 /nfs/dbraw/zinc/61/90/78/946619078.db2.gz QVMWLQUUIQQSRL-OIISXLGYSA-N 1 0 392.467 1.132 20 0 GDADRO CC[C@@H](C(=O)N1CC[C@@](C)(CNc2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571317821 946621846 /nfs/dbraw/zinc/62/18/46/946621846.db2.gz WIPVNKMLCJTVED-SJCJKPOMSA-N 1 0 392.533 1.622 20 0 GDADRO Brc1ccc(-c2nn[nH]n2)c(N2CC([NH2+]C3CCOCC3)C2)c1 ZINC001573279446 946642177 /nfs/dbraw/zinc/64/21/77/946642177.db2.gz IIGVHGRHGGQUDB-UHFFFAOYSA-N 1 0 379.262 1.586 20 0 GDADRO CC1(C)CN(CC[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824807314 946939378 /nfs/dbraw/zinc/93/93/78/946939378.db2.gz IDTPSBKJQYFCCW-UHFFFAOYSA-N 1 0 399.543 1.532 20 0 GDADRO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824808716 946939737 /nfs/dbraw/zinc/93/97/37/946939737.db2.gz XNQVNZBVTLNMCQ-UHFFFAOYSA-N 1 0 397.483 1.528 20 0 GDADRO C[C@H]1C[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC(C)(C)C1 ZINC000824983540 947020901 /nfs/dbraw/zinc/02/09/01/947020901.db2.gz BGOKXZKAEHAZDU-CQSZACIVSA-N 1 0 397.483 1.956 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825121538 947089335 /nfs/dbraw/zinc/08/93/35/947089335.db2.gz SOHDGJYMIUJKIC-GOSISDBHSA-N 1 0 396.499 1.156 20 0 GDADRO CCOC(=O)C1CCC([NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000825499909 947208642 /nfs/dbraw/zinc/20/86/42/947208642.db2.gz XOYXBTLJBFPJRT-UHFFFAOYSA-N 1 0 399.499 1.942 20 0 GDADRO CCn1nccc1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825807353 947339730 /nfs/dbraw/zinc/33/97/30/947339730.db2.gz QUZQBYQYNSSOIP-UHFFFAOYSA-N 1 0 395.471 1.823 20 0 GDADRO C[C@@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573592570 947342032 /nfs/dbraw/zinc/34/20/32/947342032.db2.gz KNOCAZZXSBBZEQ-AWEZNQCLSA-N 1 0 380.456 1.752 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573594492 947398419 /nfs/dbraw/zinc/39/84/19/947398419.db2.gz BFUUUYUJFBMTAS-JSGCOSHPSA-N 1 0 392.479 1.597 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826030029 947409340 /nfs/dbraw/zinc/40/93/40/947409340.db2.gz ZVRYQUZHCHTSHR-RDJZCZTQSA-N 1 0 385.472 1.371 20 0 GDADRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)CC1 ZINC000826037720 947417452 /nfs/dbraw/zinc/41/74/52/947417452.db2.gz BBUBCMAOAPADMS-UHFFFAOYSA-N 1 0 396.455 1.073 20 0 GDADRO Cn1cc(C[N@H+](C)C[C@H]2CN(C)CCO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826045301 947417893 /nfs/dbraw/zinc/41/78/93/947417893.db2.gz UFAWDMYWGGTZQU-QGZVFWFLSA-N 1 0 382.472 1.030 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)c1cccnc1 ZINC001573613792 947570810 /nfs/dbraw/zinc/57/08/10/947570810.db2.gz IZNYJFXGOHPIJH-CXAGYDPISA-N 1 0 392.467 1.531 20 0 GDADRO C[C@@H](C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)n1cccc1 ZINC001573616507 947623468 /nfs/dbraw/zinc/62/34/68/947623468.db2.gz WWAPCMYXBKINPK-BBRMVZONSA-N 1 0 380.456 1.395 20 0 GDADRO CSC[C@@](C)(O)C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826227633 947667281 /nfs/dbraw/zinc/66/72/81/947667281.db2.gz UWGDXRUMQZWFJZ-SFHVURJKSA-N 1 0 376.530 1.535 20 0 GDADRO Cc1c(Cl)cnc(NCc2cccnc2N2CC[NH+](C)CC2)c1-c1nn[nH]n1 ZINC000826240562 947714292 /nfs/dbraw/zinc/71/42/92/947714292.db2.gz ZZWSAGMPTURCMN-UHFFFAOYSA-N 1 0 399.890 1.982 20 0 GDADRO Cc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259119 947747543 /nfs/dbraw/zinc/74/75/43/947747543.db2.gz IEVCKUOXCQYKPV-KRWDZBQOSA-N 1 0 380.456 1.431 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573367484 947760156 /nfs/dbraw/zinc/76/01/56/947760156.db2.gz DDRDJYAVNDRVNY-MAUKXSAKSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](C)C1 ZINC001573369673 947775746 /nfs/dbraw/zinc/77/57/46/947775746.db2.gz WKDPWGHIROXVRQ-TZMCWYRMSA-N 1 0 390.513 1.872 20 0 GDADRO CC(=O)CCCC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573373748 947800039 /nfs/dbraw/zinc/80/00/39/947800039.db2.gz LCVISVAJBBFTDB-UHFFFAOYSA-N 1 0 376.486 1.768 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cccc1 ZINC001573646239 947873897 /nfs/dbraw/zinc/87/38/97/947873897.db2.gz IMXMLDCEFKBMQC-VDZJLULYSA-N 1 0 391.479 1.962 20 0 GDADRO C[C@@H](C(=O)N1CCc2c(sc(N)c2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573647076 947882689 /nfs/dbraw/zinc/88/26/89/947882689.db2.gz BMKYCVAFYCNWKM-NSHDSACASA-N 1 0 375.502 1.660 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001573382856 947887732 /nfs/dbraw/zinc/88/77/32/947887732.db2.gz LJHUSNVLYXVDQQ-IUODEOHRSA-N 1 0 385.472 1.518 20 0 GDADRO Cc1onc(CC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1-c1nn[nH]n1 ZINC000826346287 948037991 /nfs/dbraw/zinc/03/79/91/948037991.db2.gz IMHZHPLOZCQZEB-UHFFFAOYSA-N 1 0 387.488 1.865 20 0 GDADRO Cc1onc(CC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826347006 948047826 /nfs/dbraw/zinc/04/78/26/948047826.db2.gz AWCBQXBTOOVHBN-BETUJISGSA-N 1 0 375.477 1.580 20 0 GDADRO Cn1cc(C[NH2+]CCCN2CCC(O)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361545 948131680 /nfs/dbraw/zinc/13/16/80/948131680.db2.gz BUVOXQAZHKTLLX-UHFFFAOYSA-N 1 0 396.499 1.204 20 0 GDADRO CC(=O)N1C[C@H](C)OC2(CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)CC2)C1 ZINC001573427400 948164527 /nfs/dbraw/zinc/16/45/27/948164527.db2.gz XVSHEBVPBWFPQQ-ZDUSSCGKSA-N 1 0 388.447 1.608 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC001573679919 948169135 /nfs/dbraw/zinc/16/91/35/948169135.db2.gz KIFSHWWZQVGCBO-WBMJQRKESA-N 1 0 386.481 1.299 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC001573681015 948193858 /nfs/dbraw/zinc/19/38/58/948193858.db2.gz RPWIDPLBZSMTIY-WFASDCNBSA-N 1 0 386.481 1.299 20 0 GDADRO NC(=O)c1csc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826394086 948202414 /nfs/dbraw/zinc/20/24/14/948202414.db2.gz WJFKLJJPAVCDHN-OAHLLOKOSA-N 1 0 397.464 1.312 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccnc1 ZINC001573690844 948232589 /nfs/dbraw/zinc/23/25/89/948232589.db2.gz CDKGACNDZLTRCJ-CQSZACIVSA-N 1 0 377.452 1.804 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC001573692541 948267467 /nfs/dbraw/zinc/26/74/67/948267467.db2.gz PRHFZYLGLUROGP-IUODEOHRSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)[C@H]1CCCO1 ZINC001573692690 948272087 /nfs/dbraw/zinc/27/20/87/948272087.db2.gz RVFSWYYVZKBHJD-BLLLJJGKSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1)C(F)(F)F ZINC001573693347 948280277 /nfs/dbraw/zinc/28/02/77/948280277.db2.gz WVGPRWFBNQDDMJ-SECBINFHSA-N 1 0 386.353 1.943 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826431818 948282543 /nfs/dbraw/zinc/28/25/43/948282543.db2.gz LHYVWYALYIEPBI-KURKYZTESA-N 1 0 397.483 1.576 20 0 GDADRO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001573695569 948307766 /nfs/dbraw/zinc/30/77/66/948307766.db2.gz HGSGXLQAIOALHZ-XOBRGWDASA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C ZINC001573695907 948312280 /nfs/dbraw/zinc/31/22/80/948312280.db2.gz YSLJJEUAGXPIPC-FZMZJTMJSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573696429 948324925 /nfs/dbraw/zinc/32/49/25/948324925.db2.gz QAIYXOUZRVDBAI-BUXKBTBVSA-N 1 0 388.447 1.105 20 0 GDADRO O=C1[C@H]([NH+]2CCC(C3OCCO3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476701 948383105 /nfs/dbraw/zinc/38/31/05/948383105.db2.gz NAJUGKIWAVATJU-QGZVFWFLSA-N 1 0 398.467 1.447 20 0 GDADRO O=C1[C@@H]([NH+]2CCC([C@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477038 948385815 /nfs/dbraw/zinc/38/58/15/948385815.db2.gz UOZKVKSHSUSLKI-WMZOPIPTSA-N 1 0 382.468 1.721 20 0 GDADRO C[C@@H](C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573706965 948427161 /nfs/dbraw/zinc/42/71/61/948427161.db2.gz LSTJLIZHTVVOLW-CQSZACIVSA-N 1 0 377.452 1.613 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCC1(F)F)C1CC1 ZINC001573707077 948428329 /nfs/dbraw/zinc/42/83/29/948428329.db2.gz MAGOSSQDGMYAOB-YPMHNXCESA-N 1 0 391.426 1.886 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CCC1(F)F)C1CC1 ZINC001573707073 948428859 /nfs/dbraw/zinc/42/88/59/948428859.db2.gz MAGOSSQDGMYAOB-DGCLKSJQSA-N 1 0 391.426 1.886 20 0 GDADRO c1cn(CCC[NH+]2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)cn1 ZINC000826523483 948456945 /nfs/dbraw/zinc/45/69/45/948456945.db2.gz OIFSHGRNHPBTKX-UHFFFAOYSA-N 1 0 389.467 1.824 20 0 GDADRO C[C@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573714362 948472238 /nfs/dbraw/zinc/47/22/38/948472238.db2.gz GQMRQTOTZLOWBV-KBPBESRZSA-N 1 0 381.440 1.991 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCCO1 ZINC001573715260 948485626 /nfs/dbraw/zinc/48/56/26/948485626.db2.gz SBDRWVRHMJEXOS-BLLLJJGKSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCCO1 ZINC001573715262 948485936 /nfs/dbraw/zinc/48/59/36/948485936.db2.gz SBDRWVRHMJEXOS-MLGOLLRUSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@@H]1CCCO1 ZINC001573745193 948670608 /nfs/dbraw/zinc/67/06/08/948670608.db2.gz BKDNKBDZIHMELL-LCSDZXHASA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573748319 948693817 /nfs/dbraw/zinc/69/38/17/948693817.db2.gz RUGGVKPQCBYTDB-AVGNSLFASA-N 1 0 386.485 1.370 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C(F)(F)F ZINC001573748364 948694097 /nfs/dbraw/zinc/69/40/97/948694097.db2.gz SCHTXXSHFNGGMB-IEBDPFPHSA-N 1 0 386.353 1.941 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)C1CCC1 ZINC001573753954 948722915 /nfs/dbraw/zinc/72/29/15/948722915.db2.gz YOSBKNLMEGXTOV-ZUHTVMMCSA-N 1 0 384.459 1.988 20 0 GDADRO CC(F)(F)CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@]2(C)C1 ZINC001575223832 948772229 /nfs/dbraw/zinc/77/22/29/948772229.db2.gz GHSVYUAGGZXSST-BZNIZROVSA-N 1 0 377.399 1.592 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574917812 948829503 /nfs/dbraw/zinc/82/95/03/948829503.db2.gz CFUJVSBFXQVEST-CYBMUJFWSA-N 1 0 377.468 1.284 20 0 GDADRO CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(F)F ZINC001573763378 948870066 /nfs/dbraw/zinc/87/00/66/948870066.db2.gz DQFREPMLPSDMJR-LBPRGKRZSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)(C(=O)N1CCC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001573764336 948887199 /nfs/dbraw/zinc/88/71/99/948887199.db2.gz NFYMBPJLJYVWEM-HNNXBMFYSA-N 1 0 384.488 1.539 20 0 GDADRO CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(F)F ZINC001573765035 948899243 /nfs/dbraw/zinc/89/92/43/948899243.db2.gz URYRQTGWNGCTKL-NSHDSACASA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CC1CC[NH+](C)CC1 ZINC001574685707 948919591 /nfs/dbraw/zinc/91/95/91/948919591.db2.gz ZFZAFQHIADQFQW-GFCCVEGCSA-N 1 0 390.467 1.439 20 0 GDADRO CC(F)(F)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001575235506 948919768 /nfs/dbraw/zinc/91/97/68/948919768.db2.gz NCJQWYUBSUMJNH-NHAGDIPZSA-N 1 0 380.374 1.598 20 0 GDADRO C[C@@H](CNC(=O)CCc1nccs1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574921510 948924357 /nfs/dbraw/zinc/92/43/57/948924357.db2.gz YYZOHOZHLPQPPA-NSHDSACASA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)c1ncncc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574432249 948929433 /nfs/dbraw/zinc/92/94/33/948929433.db2.gz GPGZIMAXTUHJLY-MRXNPFEDSA-N 1 0 392.467 1.784 20 0 GDADRO CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2)C(F)F ZINC001573772088 948953353 /nfs/dbraw/zinc/95/33/53/948953353.db2.gz QHIRSDDCVCBNKC-CHWSQXEVSA-N 1 0 391.426 1.814 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574433461 948956409 /nfs/dbraw/zinc/95/64/09/948956409.db2.gz OGHALYGNHXTCIH-CYBMUJFWSA-N 1 0 382.472 1.632 20 0 GDADRO CC(C)(C(=O)N[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)C1CC1)[NH+]1CCCC1 ZINC001573772616 948963956 /nfs/dbraw/zinc/96/39/56/948963956.db2.gz WEJTYDCFEISQBE-HNNXBMFYSA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574433889 948968475 /nfs/dbraw/zinc/96/84/75/948968475.db2.gz UXIYXURERCFKIS-CYBMUJFWSA-N 1 0 382.472 1.632 20 0 GDADRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCCC1 ZINC001573774059 949000517 /nfs/dbraw/zinc/00/05/17/949000517.db2.gz PWTGLKJFIVMXAK-INIZCTEOSA-N 1 0 386.500 1.650 20 0 GDADRO C[C@@H](Oc1cccnc1)C(=O)NCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575502848 949033899 /nfs/dbraw/zinc/03/38/99/949033899.db2.gz LDSHEUCYQMWCRQ-CQSZACIVSA-N 1 0 381.440 1.277 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)C1CC1 ZINC001573775247 949037291 /nfs/dbraw/zinc/03/72/91/949037291.db2.gz UVBOYDZUJPLSFE-UHFFFAOYSA-N 1 0 385.472 1.197 20 0 GDADRO CC(C)(C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)F ZINC001573779288 949058663 /nfs/dbraw/zinc/05/86/63/949058663.db2.gz GJSBDXNSGDQSOF-LLVKDONJSA-N 1 0 379.415 1.886 20 0 GDADRO CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001573779630 949065934 /nfs/dbraw/zinc/06/59/34/949065934.db2.gz KYTNPHNRLXYQLU-FQEVSTJZSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C(F)(F)F ZINC001575248267 949068542 /nfs/dbraw/zinc/06/85/42/949068542.db2.gz QFONJEGJBZETKR-HLUHBDAQSA-N 1 0 389.357 1.535 20 0 GDADRO C[C@@H](CCNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574695181 949104317 /nfs/dbraw/zinc/10/43/17/949104317.db2.gz DPSTURHMORESTC-IUCAKERBSA-N 1 0 384.897 1.378 20 0 GDADRO C[C@H](CCNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)CCC[NH+](C)C ZINC001574695192 949104617 /nfs/dbraw/zinc/10/46/17/949104617.db2.gz DVIFEBJOASPPMY-SECBINFHSA-N 1 0 386.913 1.625 20 0 GDADRO CC(C)c1ocnc1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574447097 949148754 /nfs/dbraw/zinc/14/87/54/949148754.db2.gz FXYMMAPJKWHQHF-UHFFFAOYSA-N 1 0 381.440 1.840 20 0 GDADRO CC(C)c1oncc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574448030 949179470 /nfs/dbraw/zinc/17/94/70/949179470.db2.gz BYOBEXSUCMKJLX-OAHLLOKOSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)c1ocnc1C[NH2+]C1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574450258 949205609 /nfs/dbraw/zinc/20/56/09/949205609.db2.gz XSMNAOVNDIXQFY-UHFFFAOYSA-N 1 0 384.444 1.604 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574936636 949214413 /nfs/dbraw/zinc/21/44/13/949214413.db2.gz JRLUALZOWFMHIZ-LLVKDONJSA-N 1 0 387.394 1.377 20 0 GDADRO C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576151512 949227257 /nfs/dbraw/zinc/22/72/57/949227257.db2.gz GCRIOWRJWBYOCH-TUVASFSCSA-N 1 0 385.472 1.338 20 0 GDADRO CC(C)n1cc(C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC001574451999 949251967 /nfs/dbraw/zinc/25/19/67/949251967.db2.gz DMJUDKFRVBGIGH-UHFFFAOYSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(c2ccccn2)CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574701462 949258814 /nfs/dbraw/zinc/25/88/14/949258814.db2.gz ANAKBGMFQKKCAM-HNNXBMFYSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(C(F)F)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574701577 949261970 /nfs/dbraw/zinc/26/19/70/949261970.db2.gz CCIIDLYRHMKDHI-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574703120 949307532 /nfs/dbraw/zinc/30/75/32/949307532.db2.gz RFKPIRYCBMFOKI-YJYMSZOUSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(C(F)F)CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574703381 949325758 /nfs/dbraw/zinc/32/57/58/949325758.db2.gz VDYDIYMZBYDBAR-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)n1ccc(C(=O)N(C)CCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001574457797 949331400 /nfs/dbraw/zinc/33/14/00/949331400.db2.gz OINJORQHDCPVKX-UHFFFAOYSA-N 1 0 383.460 1.638 20 0 GDADRO C[C@H](c1nc(-c2nc[nH]n2)no1)[NH+]1CCC(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575525029 949331515 /nfs/dbraw/zinc/33/15/15/949331515.db2.gz VQYKQPSWSJKELM-LLVKDONJSA-N 1 0 392.427 1.975 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@@H](C)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001574458109 949335164 /nfs/dbraw/zinc/33/51/64/949335164.db2.gz PEGHLZNGAUPSFW-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CCC1(F)F)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575259935 949346020 /nfs/dbraw/zinc/34/60/20/949346020.db2.gz SPYGEEXKVLWCLO-BXKDBHETSA-N 1 0 382.440 1.910 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574703801 949353331 /nfs/dbraw/zinc/35/33/31/949353331.db2.gz YMFHMHNTXHVOSH-ORAYPTAESA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574110284 949361114 /nfs/dbraw/zinc/36/11/14/949361114.db2.gz XRLKHOLIJLUMQD-CXAGYDPISA-N 1 0 390.463 1.757 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CC(F)(F)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574703969 949361348 /nfs/dbraw/zinc/36/13/48/949361348.db2.gz INDXWAWJVXLNJB-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CC12CCOCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574704521 949391608 /nfs/dbraw/zinc/39/16/08/949391608.db2.gz OBQWHSLACVBZAX-WMLDXEAASA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574945755 949419281 /nfs/dbraw/zinc/41/92/81/949419281.db2.gz NNNXULZCFBLJLD-JTQLQIEISA-N 1 0 384.469 1.177 20 0 GDADRO CC1(C(=O)N2CCC(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCOCC1 ZINC001575535592 949450071 /nfs/dbraw/zinc/45/00/71/949450071.db2.gz YXEXINPGWXRURE-UHFFFAOYSA-N 1 0 385.472 1.151 20 0 GDADRO C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265591 949452948 /nfs/dbraw/zinc/45/29/48/949452948.db2.gz VIKVNTXPOCYPRF-WMLDXEAASA-N 1 0 386.500 1.744 20 0 GDADRO C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575266027 949465403 /nfs/dbraw/zinc/46/54/03/949465403.db2.gz WTTRRHLPEJOXJJ-STQMWFEESA-N 1 0 392.529 1.806 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001574468953 949472556 /nfs/dbraw/zinc/47/25/56/949472556.db2.gz WEILUZKXEVSKCC-HAQNSBGRSA-N 1 0 386.485 1.756 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574469481 949479657 /nfs/dbraw/zinc/47/96/57/949479657.db2.gz FIGUOBGCAQJTHF-TXEJJXNPSA-N 1 0 386.485 1.756 20 0 GDADRO CC(C)n1nccc1C(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574469994 949484427 /nfs/dbraw/zinc/48/44/27/949484427.db2.gz JZNRVCGRTZJWPW-ONEGZZNKSA-N 1 0 380.456 1.720 20 0 GDADRO C[C@H](NC(=O)CC(F)(F)F)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575266661 949484895 /nfs/dbraw/zinc/48/48/95/949484895.db2.gz DIHZFNIYIQUICK-VIFPVBQESA-N 1 0 386.353 1.895 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574470130 949488588 /nfs/dbraw/zinc/48/85/88/949488588.db2.gz MLLXXEGLWNTNLA-GASCZTMLSA-N 1 0 380.456 1.695 20 0 GDADRO C[C@@H](CNC(=O)Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574949394 949496170 /nfs/dbraw/zinc/49/61/70/949496170.db2.gz VOMBRIVGOBRNEI-JTQLQIEISA-N 1 0 392.826 1.150 20 0 GDADRO C[C@@H](NC(=O)C[C@@H]1CCCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575267968 949506750 /nfs/dbraw/zinc/50/67/50/949506750.db2.gz KVCJEXWPIRFVFZ-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575538668 949529631 /nfs/dbraw/zinc/52/96/31/949529631.db2.gz IMMXCSLNPGTGQC-OXQOHEQNSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H](NC(=O)C[C@H]1CCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268953 949534295 /nfs/dbraw/zinc/53/42/95/949534295.db2.gz PZHUBZHDRAMKDI-VXGBXAGGSA-N 1 0 376.486 1.291 20 0 GDADRO C[C@H](NC(=O)C[C@H]1CCOC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575269161 949540993 /nfs/dbraw/zinc/54/09/93/949540993.db2.gz RTZLQTDLUDAUCL-GXTWGEPZSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575540360 949569174 /nfs/dbraw/zinc/56/91/74/949569174.db2.gz XCTMHGJAHIDMQB-SCLBCKFNSA-N 1 0 390.513 1.826 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cnns1 ZINC001573810570 949571299 /nfs/dbraw/zinc/57/12/99/949571299.db2.gz ABWNNWDVFRWHAD-AWEZNQCLSA-N 1 0 386.485 1.653 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575270166 949576296 /nfs/dbraw/zinc/57/62/96/949576296.db2.gz BPBVOOAEIWUZIP-GDBMZVCRSA-N 1 0 386.504 1.325 20 0 GDADRO C[C@H]1[C@H](NC(=O)CN2CCCC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873685 949584508 /nfs/dbraw/zinc/58/45/08/949584508.db2.gz BOWFWIWNXKXQOM-MAUKXSAKSA-N 1 0 383.500 1.432 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573811067 949590675 /nfs/dbraw/zinc/59/06/75/949590675.db2.gz HCZZIFFUVOEVIX-ZFWWWQNUSA-N 1 0 375.477 1.498 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573811266 949597444 /nfs/dbraw/zinc/59/74/44/949597444.db2.gz IUTLTWFTYNKNGB-CYBMUJFWSA-N 1 0 381.431 1.974 20 0 GDADRO CC1(C(=O)N2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CCOCC1 ZINC001575545289 949598444 /nfs/dbraw/zinc/59/84/44/949598444.db2.gz KEMVCQURPAZLSS-UHFFFAOYSA-N 1 0 384.484 1.718 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccon1 ZINC001573811613 949604635 /nfs/dbraw/zinc/60/46/35/949604635.db2.gz MKAVBXXGINAVNP-OAHLLOKOSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]CCOCC1CCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573811818 949607316 /nfs/dbraw/zinc/60/73/16/949607316.db2.gz NTLZAHAJVXGNAI-INIZCTEOSA-N 1 0 389.504 1.746 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCOC1 ZINC001575547287 949626221 /nfs/dbraw/zinc/62/62/21/949626221.db2.gz WVAZCXCGYVPFSL-UGSOOPFHSA-N 1 0 390.513 1.826 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574957745 949632475 /nfs/dbraw/zinc/63/24/75/949632475.db2.gz HHMZETOFUBUOKJ-MOWSHJCCSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@H](NC(=O)CC[C@H]1CCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575272140 949636505 /nfs/dbraw/zinc/63/65/05/949636505.db2.gz NZACREYEJFVWDB-HOCLYGCPSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](NC(=O)CC[C@H]1CCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575272321 949641624 /nfs/dbraw/zinc/64/16/24/949641624.db2.gz OWBITNMJVRUFJO-TZMCWYRMSA-N 1 0 390.513 1.824 20 0 GDADRO CC(C)CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574129844 949646702 /nfs/dbraw/zinc/64/67/02/949646702.db2.gz ZMIFKKUHKAQAMF-AWEZNQCLSA-N 1 0 392.479 1.645 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574715324 949650822 /nfs/dbraw/zinc/65/08/22/949650822.db2.gz IQWHJGFDTLNCGJ-NEPJUHHUSA-N 1 0 376.440 1.001 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575876747 949653969 /nfs/dbraw/zinc/65/39/69/949653969.db2.gz KKHHLEVSWGLNOB-CZUORRHYSA-N 1 0 384.488 1.220 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2=COCCO2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575877449 949665908 /nfs/dbraw/zinc/66/59/08/949665908.db2.gz ZUGKDMRLZUBNPR-CJNGLKHVSA-N 1 0 384.440 1.224 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@](C)(O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574716107 949677659 /nfs/dbraw/zinc/67/76/59/949677659.db2.gz MKBHAPLASXXWMJ-BUXKBTBVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001575879279 949685513 /nfs/dbraw/zinc/68/55/13/949685513.db2.gz QAFPZZQYJIJEAW-UKRRQHHQSA-N 1 0 387.463 1.575 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001574478018 949686841 /nfs/dbraw/zinc/68/68/41/949686841.db2.gz WUJWLOUAYRJOLX-WFASDCNBSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716357 949687409 /nfs/dbraw/zinc/68/74/09/949687409.db2.gz JVMDODDTIRYZKM-STQMWFEESA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C2CC2)CCOC1 ZINC001575557153 949705557 /nfs/dbraw/zinc/70/55/57/949705557.db2.gz BTBLLYFTSIADDM-QFBILLFUSA-N 1 0 388.447 1.417 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573818009 949712581 /nfs/dbraw/zinc/71/25/81/949712581.db2.gz DTDGAKJVNLKYRL-HNAYVOBHSA-N 1 0 387.488 1.178 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C[NH2+]Cc1cnns1 ZINC001576170504 949718443 /nfs/dbraw/zinc/71/84/43/949718443.db2.gz LOHADJLHJKVXAH-QMTHXVAHSA-N 1 0 387.473 1.077 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCCO1 ZINC001573818214 949721542 /nfs/dbraw/zinc/72/15/42/949721542.db2.gz IIMDBKNVGWAFNT-CJNGLKHVSA-N 1 0 387.488 1.586 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574717138 949727096 /nfs/dbraw/zinc/72/70/96/949727096.db2.gz USTISFFNTJJILU-VXGBXAGGSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@H](CN(C)C(=O)CCC[NH+](C)C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574717308 949733850 /nfs/dbraw/zinc/73/38/50/949733850.db2.gz OYMLLJZOWVWYLV-SECBINFHSA-N 1 0 386.913 1.577 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574717733 949744069 /nfs/dbraw/zinc/74/40/69/949744069.db2.gz WUXWCODXSCYATD-OLZOCXBDSA-N 1 0 388.501 1.713 20 0 GDADRO C[C@H](NC(=O)CCc1ccccn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575277204 949744333 /nfs/dbraw/zinc/74/43/33/949744333.db2.gz OZRITFUUDLUDTC-HNNXBMFYSA-N 1 0 391.479 1.831 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001574717791 949746747 /nfs/dbraw/zinc/74/67/47/949746747.db2.gz XMEZAIOJWOGODQ-LSDHHAIUSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1ccnc1 ZINC001574481407 949777688 /nfs/dbraw/zinc/77/76/88/949777688.db2.gz PJUGADHSXCBAID-YOEHRIQHSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574965562 949799075 /nfs/dbraw/zinc/79/90/75/949799075.db2.gz GXDPBQRGKFXRCZ-ZTQAJYAQSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574139010 949805490 /nfs/dbraw/zinc/80/54/90/949805490.db2.gz HJMDEFQRMIEXAD-HIFRSBDPSA-N 1 0 375.477 1.308 20 0 GDADRO CC(C)OCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574721429 949813422 /nfs/dbraw/zinc/81/34/22/949813422.db2.gz LHINDBPXPSKYSG-CYBMUJFWSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccon1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574721423 949817275 /nfs/dbraw/zinc/81/72/75/949817275.db2.gz LEYAXLBLMJKCKV-GFCCVEGCSA-N 1 0 387.419 1.563 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ccnn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574722513 949835499 /nfs/dbraw/zinc/83/54/99/949835499.db2.gz TYCQBSUKHXACAG-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574966338 949846572 /nfs/dbraw/zinc/84/65/72/949846572.db2.gz XQUNBGBYDXMWKH-SNVBAGLBSA-N 1 0 388.501 1.857 20 0 GDADRO C[C@@H](CN(C)C(=O)CCn1cccc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574723730 949863729 /nfs/dbraw/zinc/86/37/29/949863729.db2.gz CCEJJSVXBOVRCS-AWEZNQCLSA-N 1 0 385.447 1.834 20 0 GDADRO CC(C)C[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001574142373 949866819 /nfs/dbraw/zinc/86/68/19/949866819.db2.gz YGIAOEGKRFRSDP-OLMNPRSZSA-N 1 0 386.500 1.600 20 0 GDADRO C[C@@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575886170 949875827 /nfs/dbraw/zinc/87/58/27/949875827.db2.gz XILFFVVXDIRCMB-WPEGABGTSA-N 1 0 388.497 1.290 20 0 GDADRO C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001574484500 949881407 /nfs/dbraw/zinc/88/14/07/949881407.db2.gz HWPHYJRJUREJMU-LSDHHAIUSA-N 1 0 380.456 1.539 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1cncnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574725026 949887903 /nfs/dbraw/zinc/88/79/03/949887903.db2.gz NPRMSZLOKBJZLB-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cncnc2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576178433 949888169 /nfs/dbraw/zinc/88/81/69/949888169.db2.gz BFPOHJRAOHKORZ-RDTXWAMCSA-N 1 0 392.467 1.687 20 0 GDADRO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CCOCC1 ZINC001575566031 949894163 /nfs/dbraw/zinc/89/41/63/949894163.db2.gz ZSUINJPUQVYTKM-QGZVFWFLSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1cncs1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574725616 949905236 /nfs/dbraw/zinc/90/52/36/949905236.db2.gz TZBQJDCMIYXXOH-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO CC(C)C[C@H](C)C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001574144535 949912202 /nfs/dbraw/zinc/91/22/02/949912202.db2.gz OQCBQVKVFBZILI-KBPBESRZSA-N 1 0 375.477 1.308 20 0 GDADRO C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576179717 949924125 /nfs/dbraw/zinc/92/41/25/949924125.db2.gz BWJQKOINJGKKOJ-LSDHHAIUSA-N 1 0 386.504 1.500 20 0 GDADRO C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576180232 949942780 /nfs/dbraw/zinc/94/27/80/949942780.db2.gz DKJDHTDVVDOAQU-ZBFHGGJFSA-N 1 0 384.488 1.254 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574728621 949993859 /nfs/dbraw/zinc/99/38/59/949993859.db2.gz FNZBEMVHSQHSLS-LLVKDONJSA-N 1 0 387.394 1.463 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1cccnc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574728735 950004336 /nfs/dbraw/zinc/00/43/36/950004336.db2.gz IONKTFMVUSUORO-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO CC1(C)C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575574520 950017922 /nfs/dbraw/zinc/01/79/22/950017922.db2.gz VUTLJEUDDJWXKC-OXQOHEQNSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1C[NH2+]Cc1cccnc1 ZINC001576181800 950022047 /nfs/dbraw/zinc/02/20/47/950022047.db2.gz MRABTFDHRHEHEZ-CXAGYDPISA-N 1 0 380.456 1.620 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576182331 950045058 /nfs/dbraw/zinc/04/50/58/950045058.db2.gz OAOXPOWVYDWBAO-LRDDRELGSA-N 1 0 382.428 1.280 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cnccn1 ZINC001574151040 950048726 /nfs/dbraw/zinc/04/87/26/950048726.db2.gz JXLXCMBPIZUMGP-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574732880 950080827 /nfs/dbraw/zinc/08/08/27/950080827.db2.gz LQOLMGOGKJDWBH-JHJVBQTASA-N 1 0 375.452 1.605 20 0 GDADRO C[C@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576183662 950095869 /nfs/dbraw/zinc/09/58/69/950095869.db2.gz RDCZXBWBZAGXRO-ZFWWWQNUSA-N 1 0 385.472 1.007 20 0 GDADRO C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576183862 950104134 /nfs/dbraw/zinc/10/41/34/950104134.db2.gz RTCBIDAQLHKGRV-NEPJUHHUSA-N 1 0 379.415 1.625 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574733398 950108693 /nfs/dbraw/zinc/10/86/93/950108693.db2.gz AASVEDSMVBHUNX-XTENKEOPSA-N 1 0 382.468 1.227 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574733397 950109781 /nfs/dbraw/zinc/10/97/81/950109781.db2.gz AASVEDSMVBHUNX-LTUQZUHASA-N 1 0 382.468 1.227 20 0 GDADRO C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576184143 950120673 /nfs/dbraw/zinc/12/06/73/950120673.db2.gz UOOUMTDXEPKWMW-KBPBESRZSA-N 1 0 387.463 1.720 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576184598 950131820 /nfs/dbraw/zinc/13/18/20/950131820.db2.gz WSHJBJBOTBYXGI-SUMWQHHRSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001574979144 950147811 /nfs/dbraw/zinc/14/78/11/950147811.db2.gz WUHZNFCGIPOJAC-LKFCYVNXSA-N 1 0 387.394 1.868 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CCOC1 ZINC001575584036 950159650 /nfs/dbraw/zinc/15/96/50/950159650.db2.gz OLLHDWXKJJXOFV-JXFKEZNVSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@@H](O)C1CCCCC1 ZINC001574737996 950162743 /nfs/dbraw/zinc/16/27/43/950162743.db2.gz AOZDXNVFIBIJSM-BLLLJJGKSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575584048 950163506 /nfs/dbraw/zinc/16/35/06/950163506.db2.gz ORQUSAZNNJAWGA-SCLBCKFNSA-N 1 0 390.513 1.683 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574982572 950171223 /nfs/dbraw/zinc/17/12/23/950171223.db2.gz DPKXDUYWOVHBCZ-NSHDSACASA-N 1 0 383.460 1.182 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)CC1(O)CCC1 ZINC001575900723 950208727 /nfs/dbraw/zinc/20/87/27/950208727.db2.gz IDLDGWUZMVIWOY-LRDDRELGSA-N 1 0 388.447 1.390 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576191810 950212564 /nfs/dbraw/zinc/21/25/64/950212564.db2.gz ILSRDKSQBACAKD-ZFWWWQNUSA-N 1 0 378.440 1.289 20 0 GDADRO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576192010 950219742 /nfs/dbraw/zinc/21/97/42/950219742.db2.gz JJEZXJCOCKBVMQ-QWHCGFSZSA-N 1 0 375.452 1.606 20 0 GDADRO CC(C)(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573845321 950223065 /nfs/dbraw/zinc/22/30/65/950223065.db2.gz WRKNTAOMQOTHCW-SFHVURJKSA-N 1 0 375.477 1.188 20 0 GDADRO C[C@H](CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001574497629 950231647 /nfs/dbraw/zinc/23/16/47/950231647.db2.gz AGJPUPXOQFNTBA-VLIAUNLRSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC(Nc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576192347 950239216 /nfs/dbraw/zinc/23/92/16/950239216.db2.gz LYTQQUKFWCSJCK-LMWSTFAQSA-N 1 0 388.451 1.144 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC001574497800 950241182 /nfs/dbraw/zinc/24/11/82/950241182.db2.gz DITXQBGCYYZERY-CJNGLKHVSA-N 1 0 384.440 1.220 20 0 GDADRO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573845819 950241718 /nfs/dbraw/zinc/24/17/18/950241718.db2.gz NFVVUCBTYIBAHD-GVDBMIGSSA-N 1 0 386.500 1.506 20 0 GDADRO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573846051 950243985 /nfs/dbraw/zinc/24/39/85/950243985.db2.gz NIENOKVPOQQGNC-ZMSDIMECSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCn1ccnc1 ZINC001575904685 950281178 /nfs/dbraw/zinc/28/11/78/950281178.db2.gz AHFRRWQMILMRGP-WMLDXEAASA-N 1 0 380.456 1.233 20 0 GDADRO C[C@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)C(F)(F)F ZINC001574498640 950281630 /nfs/dbraw/zinc/28/16/30/950281630.db2.gz OVVBAMZNCWBMFJ-SNVBAGLBSA-N 1 0 383.378 1.723 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1cccnc1 ZINC001575904671 950281785 /nfs/dbraw/zinc/28/17/85/950281785.db2.gz ACHBILAGEABFLO-DOMZBBRYSA-N 1 0 383.481 1.645 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575905077 950288244 /nfs/dbraw/zinc/28/82/44/950288244.db2.gz BDMQTDSHBVQEFA-FZMZJTMJSA-N 1 0 386.485 1.363 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccncc1 ZINC001575905184 950291194 /nfs/dbraw/zinc/29/11/94/950291194.db2.gz BVESJKJFKHFRMV-YVEFUNNKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc[nH]n2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576193472 950300360 /nfs/dbraw/zinc/30/03/60/950300360.db2.gz VFRDZWKELVFEJI-HIFRSBDPSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ncccn1 ZINC001575905494 950300546 /nfs/dbraw/zinc/30/05/46/950300546.db2.gz DGCFJTBMQIPNLF-IAQYHMDHSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccncc1 ZINC001575906324 950308214 /nfs/dbraw/zinc/30/82/14/950308214.db2.gz HKQKULILWASCDF-SJCJKPOMSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CC1OCCCO1 ZINC001575906595 950317353 /nfs/dbraw/zinc/31/73/53/950317353.db2.gz JOCRPGIZPCMMDL-CZUORRHYSA-N 1 0 386.456 1.099 20 0 GDADRO CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)CCCO2)CCC1 ZINC001575593501 950319173 /nfs/dbraw/zinc/31/91/73/950319173.db2.gz GPSMOWJJQORKKM-MRXNPFEDSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906967 950323004 /nfs/dbraw/zinc/32/30/04/950323004.db2.gz LFXLUDWVRBSIPD-BMIGLBTASA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C[NH2+]Cc1nccs1 ZINC001576193966 950323240 /nfs/dbraw/zinc/32/32/40/950323240.db2.gz XBOWNMIIWOMLSD-DGCLKSJQSA-N 1 0 386.485 1.539 20 0 GDADRO CC(C)C[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574159805 950323694 /nfs/dbraw/zinc/32/36/94/950323694.db2.gz JJMOSYYBYAWANH-AWEZNQCLSA-N 1 0 386.504 1.689 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cnn(C)c1 ZINC001575907215 950328885 /nfs/dbraw/zinc/32/88/85/950328885.db2.gz MWIJLQMZPDIIJU-ZBEGNZNMSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1cncs1 ZINC001575907751 950341466 /nfs/dbraw/zinc/34/14/66/950341466.db2.gz QCJILHJNRDZMPJ-WBMJQRKESA-N 1 0 383.481 1.645 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CC1CCOCC1 ZINC001575907635 950343298 /nfs/dbraw/zinc/34/32/98/950343298.db2.gz PYWOLALUTUSICE-WFASDCNBSA-N 1 0 390.513 1.824 20 0 GDADRO CC1(C(=O)NCCN2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC001575595132 950353627 /nfs/dbraw/zinc/35/36/27/950353627.db2.gz XXMKLMMXXKTGLP-UHFFFAOYSA-N 1 0 383.500 1.337 20 0 GDADRO CC1(C(=O)NCCN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC001575595301 950354141 /nfs/dbraw/zinc/35/41/41/950354141.db2.gz ZCGHYHFRWTWIEZ-UHFFFAOYSA-N 1 0 383.500 1.291 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ccc(F)cn1 ZINC001575908398 950362043 /nfs/dbraw/zinc/36/20/43/950362043.db2.gz BRRSTFOOVDUDSA-WBMJQRKESA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)C1CC(F)(F)C1 ZINC001575908555 950369890 /nfs/dbraw/zinc/36/98/90/950369890.db2.gz VBBUJHCKFSIHBK-XHDPSFHLSA-N 1 0 376.411 1.991 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(C2CC2)on1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574745015 950370828 /nfs/dbraw/zinc/37/08/28/950370828.db2.gz FCCIIMNVCDPVOO-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)C[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001574162141 950378413 /nfs/dbraw/zinc/37/84/13/950378413.db2.gz ZSTMFVLIQJNPHP-OAHLLOKOSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cncs1 ZINC001575908920 950381178 /nfs/dbraw/zinc/38/11/78/950381178.db2.gz XDKFNUMZTQESJJ-HZMBPMFUSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCn1ccnc1 ZINC001575908871 950382797 /nfs/dbraw/zinc/38/27/97/950382797.db2.gz WOBLBCVZWUHFTH-TZMCWYRMSA-N 1 0 386.485 1.294 20 0 GDADRO C[C@H](CC(=O)NCCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574502701 950388847 /nfs/dbraw/zinc/38/88/47/950388847.db2.gz QKHVRCLEGQEOBP-CYBMUJFWSA-N 1 0 383.460 1.132 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cnn2cc[nH]c12 ZINC001575909516 950399268 /nfs/dbraw/zinc/39/92/68/950399268.db2.gz HARDMBIWQPPVNT-LRDDRELGSA-N 1 0 391.439 1.235 20 0 GDADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNc2cc(-c3nn[nH]n3)cnn2)CC1 ZINC001573860386 950420408 /nfs/dbraw/zinc/42/04/08/950420408.db2.gz IMNBUCMCKMIZKS-UHFFFAOYSA-N 1 0 389.464 1.058 20 0 GDADRO C[C@@H]1[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575910463 950422710 /nfs/dbraw/zinc/42/27/10/950422710.db2.gz LBUHOBCZAIFQRY-GDBMZVCRSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576203653 950448518 /nfs/dbraw/zinc/44/85/18/950448518.db2.gz HYQDYNPIIGSNOD-LALPHHSUSA-N 1 0 388.451 1.001 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)C1 ZINC001576204102 950453824 /nfs/dbraw/zinc/45/38/24/950453824.db2.gz LPBVIRNIXXIWPZ-ZDUSSCGKSA-N 1 0 387.463 1.433 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574752560 950489556 /nfs/dbraw/zinc/48/95/56/950489556.db2.gz YBVCJYBEGWEAIH-LBPRGKRZSA-N 1 0 381.440 1.728 20 0 GDADRO CC(C)(C)OCC(=O)N1CCCC[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573866528 950503828 /nfs/dbraw/zinc/50/38/28/950503828.db2.gz GHMHXENMKIPDDO-CQSZACIVSA-N 1 0 387.488 1.682 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cnccn1 ZINC001575915389 950510461 /nfs/dbraw/zinc/51/04/61/950510461.db2.gz WYGVSTISEYJABA-RDTXWAMCSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1cccnc1 ZINC001575915419 950516677 /nfs/dbraw/zinc/51/66/77/950516677.db2.gz XAKRMLIZVBJZSY-DNVCBOLYSA-N 1 0 391.479 1.974 20 0 GDADRO CC(C)Oc1cccc(C[NH2+][C@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 ZINC001574996000 950518629 /nfs/dbraw/zinc/51/86/29/950518629.db2.gz JKNBQOOPVSMYEJ-CYBMUJFWSA-N 1 0 383.456 1.890 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(O)ccc1Cl ZINC001574753617 950531408 /nfs/dbraw/zinc/53/14/08/950531408.db2.gz FRRZVNHBUQZJLF-SNVBAGLBSA-N 1 0 389.847 1.804 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@H](C)n1cccn1 ZINC001574509876 950535906 /nfs/dbraw/zinc/53/59/06/950535906.db2.gz ZZRBTQZFWNAXEZ-STQMWFEESA-N 1 0 386.435 1.448 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC001575614615 950541771 /nfs/dbraw/zinc/54/17/71/950541771.db2.gz KCPUQQWMLSGESS-NHAYFPRASA-N 1 0 382.468 1.515 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC001575614616 950542832 /nfs/dbraw/zinc/54/28/32/950542832.db2.gz KCPUQQWMLSGESS-YLAKUSLOSA-N 1 0 382.468 1.515 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574753999 950553614 /nfs/dbraw/zinc/55/36/14/950553614.db2.gz JKNRCEGBAUFRJL-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001576206016 950554513 /nfs/dbraw/zinc/55/45/13/950554513.db2.gz SQFJEKROPKRZJS-IUCAKERBSA-N 1 0 384.897 1.235 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCC2CC(Nc3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576205978 950555884 /nfs/dbraw/zinc/55/58/84/950555884.db2.gz SHABQDCJQTZFLI-IYXRBSQSSA-N 1 0 387.463 1.654 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001576206226 950567160 /nfs/dbraw/zinc/56/71/60/950567160.db2.gz VQUSZKOOFYMILM-CQSZACIVSA-N 1 0 389.529 1.351 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)no1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574999267 950572929 /nfs/dbraw/zinc/57/29/29/950572929.db2.gz ICBKPSHFUCUFEK-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)c[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575000667 950610987 /nfs/dbraw/zinc/61/09/87/950610987.db2.gz RLPMBFVFMMVSGZ-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573872091 950631817 /nfs/dbraw/zinc/63/18/17/950631817.db2.gz YXDZQJWDMOCUSE-OAHLLOKOSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573873365 950645680 /nfs/dbraw/zinc/64/56/80/950645680.db2.gz KZIMELZYYMMTKM-JOCQHMNTSA-N 1 0 376.436 1.558 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COc1ccccc1 ZINC001575924520 950675538 /nfs/dbraw/zinc/67/55/38/950675538.db2.gz FMLWUSBVTSWNKE-CZUORRHYSA-N 1 0 379.424 1.164 20 0 GDADRO CC1(C)CC(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001575625102 950679068 /nfs/dbraw/zinc/67/90/68/950679068.db2.gz ONGMTNHOJLHKGP-KRWDZBQOSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574760801 950679875 /nfs/dbraw/zinc/67/98/75/950679875.db2.gz LGAPFQHBWMJJBJ-LBPRGKRZSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN(C)c1ccccc1 ZINC001575925573 950687178 /nfs/dbraw/zinc/68/71/78/950687178.db2.gz HPYDRKSEJJXVKW-PBHICJAKSA-N 1 0 392.467 1.221 20 0 GDADRO CC1(C)CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001575629020 950727303 /nfs/dbraw/zinc/72/73/03/950727303.db2.gz IRNPEXZTKOPZOX-KGLIPLIRSA-N 1 0 390.513 1.416 20 0 GDADRO CC1(C)CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)C1 ZINC001575629022 950728014 /nfs/dbraw/zinc/72/80/14/950728014.db2.gz IRNPEXZTKOPZOX-ZIAGYGMSSA-N 1 0 390.513 1.416 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnn2ncccc12)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574764665 950758500 /nfs/dbraw/zinc/75/85/00/950758500.db2.gz VUJPIXDQEXISAA-ZDUSSCGKSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncccc1O)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574764933 950764556 /nfs/dbraw/zinc/76/45/56/950764556.db2.gz ADZQQDIPNWRVDF-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nc1 ZINC001573882114 950768291 /nfs/dbraw/zinc/76/82/91/950768291.db2.gz SNLACIWALOHEJV-OKILXGFUSA-N 1 0 392.467 1.749 20 0 GDADRO CC(C)n1cc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C)cn1 ZINC001575927988 950769874 /nfs/dbraw/zinc/76/98/74/950769874.db2.gz XARJDHXQQHQMKA-WFASDCNBSA-N 1 0 381.444 1.176 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574765139 950776056 /nfs/dbraw/zinc/77/60/56/950776056.db2.gz FZQWLVCWTVTYOU-MRVPVSSYSA-N 1 0 378.849 1.366 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cnn(C)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574521321 950776572 /nfs/dbraw/zinc/77/65/72/950776572.db2.gz FKNZHRJWHCPISV-KGLIPLIRSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cccnc1 ZINC001574521795 950784840 /nfs/dbraw/zinc/78/48/40/950784840.db2.gz HSYJNYDFWOWUDR-LSDHHAIUSA-N 1 0 379.468 1.877 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1cc[nH]n1 ZINC001574522146 950788465 /nfs/dbraw/zinc/78/84/65/950788465.db2.gz ISLISBZSWIKPCU-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO CC(C)(C)c1nc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)co1 ZINC001573884563 950794860 /nfs/dbraw/zinc/79/48/60/950794860.db2.gz NJYJPWAVIVWRQE-LLVKDONJSA-N 1 0 382.428 1.296 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1ccon1 ZINC001574523690 950822324 /nfs/dbraw/zinc/82/23/24/950822324.db2.gz PHZDPDHOPZIUFJ-RYUDHWBXSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CC1OCCCO1 ZINC001574523678 950822597 /nfs/dbraw/zinc/82/25/97/950822597.db2.gz PDODMTWBDCVURE-UONOGXRCSA-N 1 0 388.472 1.393 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575633753 950822573 /nfs/dbraw/zinc/82/25/73/950822573.db2.gz VUOQHOBORLGJOC-OAHLLOKOSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1cc[nH]n1 ZINC001574523838 950833718 /nfs/dbraw/zinc/83/37/18/950833718.db2.gz RBICFOUBVRLQFQ-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnoc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574767268 950841837 /nfs/dbraw/zinc/84/18/37/950841837.db2.gz PATUTRUOZAMTQV-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574767328 950845504 /nfs/dbraw/zinc/84/55/04/950845504.db2.gz QKIUQRNYECBSOT-NSHDSACASA-N 1 0 382.428 1.197 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC(C)(C)O ZINC001574524281 950853223 /nfs/dbraw/zinc/85/32/23/950853223.db2.gz VDYGXKQIHNSPBF-NWDGAFQWSA-N 1 0 378.452 1.540 20 0 GDADRO CC(C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001574189513 950889167 /nfs/dbraw/zinc/88/91/67/950889167.db2.gz MVEZTVDCPNNMDZ-MSOLQXFVSA-N 1 0 386.500 1.744 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCO[C@@](C)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001575640261 950891162 /nfs/dbraw/zinc/89/11/62/950891162.db2.gz ZKSPVQIXVMRGLV-IBGZPJMESA-N 1 0 387.488 1.452 20 0 GDADRO CC(C)(CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573893825 950904549 /nfs/dbraw/zinc/90/45/49/950904549.db2.gz YIDVQWYLTOEHRN-SNVBAGLBSA-N 1 0 383.378 1.675 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1csnn1 ZINC001574527890 950912787 /nfs/dbraw/zinc/91/27/87/950912787.db2.gz IIOZZSWMUCYAKV-VHSXEESVSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H]1[C@@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575936599 950915279 /nfs/dbraw/zinc/91/52/79/950915279.db2.gz GNZNKUYPWXVOGF-ZFWWWQNUSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@@H](C[N@H+](C)CCOc1cccc(F)c1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574771454 950920774 /nfs/dbraw/zinc/92/07/74/950920774.db2.gz FBWYFABICFDFAY-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1ccc(-c2nn[nH]n2)nc1 ZINC001576227898 950923603 /nfs/dbraw/zinc/92/36/03/950923603.db2.gz FJLQGYZTIGXLRS-HIFRSBDPSA-N 1 0 384.488 1.395 20 0 GDADRO CC(C)[C@@H](C(=O)N[C@H](C)CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001574771617 950932986 /nfs/dbraw/zinc/93/29/86/950932986.db2.gz HPLGKDNUWSGTIN-DYVFJYSZSA-N 1 0 391.495 1.529 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574528902 950940037 /nfs/dbraw/zinc/94/00/37/950940037.db2.gz OONHQRVJVUIFMT-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccn(C)n1 ZINC001574529417 950952223 /nfs/dbraw/zinc/95/22/23/950952223.db2.gz QRMFKLPELJNZHY-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001575017025 950972317 /nfs/dbraw/zinc/97/23/17/950972317.db2.gz GGSXVTNUASUNSN-KBPBESRZSA-N 1 0 379.468 1.708 20 0 GDADRO CC(C)CCC[N@H+](CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574195462 950991914 /nfs/dbraw/zinc/99/19/14/950991914.db2.gz PHQNQDMBEDEFMY-HNNXBMFYSA-N 1 0 389.504 1.530 20 0 GDADRO C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576230142 950992968 /nfs/dbraw/zinc/99/29/68/950992968.db2.gz QAXJEORAMGDMEP-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)CCO1 ZINC001575938960 950996223 /nfs/dbraw/zinc/99/62/23/950996223.db2.gz NVZGDZGSIVJLBB-DZGCQCFKSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C1(c2cccnc2)CC1 ZINC001574774397 951001249 /nfs/dbraw/zinc/00/12/49/951001249.db2.gz CDMIQJVWAXCVJN-HNNXBMFYSA-N 1 0 391.479 1.930 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574530837 951002733 /nfs/dbraw/zinc/00/27/33/951002733.db2.gz XUJXRBPVJXEBAQ-STQMWFEESA-N 1 0 385.476 1.659 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccncc1F ZINC001574774076 951004056 /nfs/dbraw/zinc/00/40/56/951004056.db2.gz BXOATNLEMBUCJR-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CO1 ZINC001575939296 951006136 /nfs/dbraw/zinc/00/61/36/951006136.db2.gz POOXTSRUAIOYJI-UKRRQHHQSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Cl)[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575022159 951070759 /nfs/dbraw/zinc/07/07/59/951070759.db2.gz IBGJAFYGLRXIJS-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)COC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575025044 951123836 /nfs/dbraw/zinc/12/38/36/951123836.db2.gz SMPMWYVMCWZEPM-ZDUSSCGKSA-N 1 0 378.436 1.805 20 0 GDADRO C[C@H](CNC(=O)c1ccccc1O)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575028162 951169937 /nfs/dbraw/zinc/16/99/37/951169937.db2.gz LSSMXBMCFSDIHT-GFCCVEGCSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1CCOC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575028522 951175085 /nfs/dbraw/zinc/17/50/85/951175085.db2.gz NOLCCPPZNUBQLL-AWEZNQCLSA-N 1 0 392.463 1.848 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)n1 ZINC001575035845 951287141 /nfs/dbraw/zinc/28/71/41/951287141.db2.gz MTAFHNLHCXTHRN-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001575036531 951299132 /nfs/dbraw/zinc/29/91/32/951299132.db2.gz UJTXOWZQCXRZEJ-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575042971 951377705 /nfs/dbraw/zinc/37/77/05/951377705.db2.gz DZUHJNMODXPMLA-CYBMUJFWSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575043409 951389711 /nfs/dbraw/zinc/38/97/11/951389711.db2.gz IMTXUQZAZNFDBJ-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](CNC(=O)c1cnc2cc[nH]c2c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575043942 951406405 /nfs/dbraw/zinc/40/64/05/951406405.db2.gz NCIRWEQIIOOCKW-NSHDSACASA-N 1 0 377.412 1.038 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(F)c1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575045351 951424888 /nfs/dbraw/zinc/42/48/88/951424888.db2.gz AGLIPROWQYKJTK-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575054112 951485923 /nfs/dbraw/zinc/48/59/23/951485923.db2.gz VTRPAHUCJFERFN-MRVPVSSYSA-N 1 0 380.865 1.223 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575055350 951503229 /nfs/dbraw/zinc/50/32/29/951503229.db2.gz RFSSSJJCTUOTMY-NSHDSACASA-N 1 0 390.398 1.080 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575055517 951507079 /nfs/dbraw/zinc/50/70/79/951507079.db2.gz WCSSZXSVVJWJJJ-LLVKDONJSA-N 1 0 390.398 1.080 20 0 GDADRO C[C@@H](CNC(=O)c1conc1C1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575057844 951532983 /nfs/dbraw/zinc/53/29/83/951532983.db2.gz RODFCKAJWUCMGG-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1conc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575058923 951537980 /nfs/dbraw/zinc/53/79/80/951537980.db2.gz WOJHLFCHDHGQQQ-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1noc2c1CCCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067525 951613261 /nfs/dbraw/zinc/61/32/61/951613261.db2.gz UULOUPFUJCXCIE-NSHDSACASA-N 1 0 382.428 1.028 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077441 951669385 /nfs/dbraw/zinc/66/93/85/951669385.db2.gz DAJNYPHMEHTOAS-LRDDRELGSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077440 951669794 /nfs/dbraw/zinc/66/97/94/951669794.db2.gz DAJNYPHMEHTOAS-BLLLJJGKSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077807 951674590 /nfs/dbraw/zinc/67/45/90/951674590.db2.gz HUICWIYXIIGLPG-VIFPVBQESA-N 1 0 391.432 1.324 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCCOC1 ZINC001575077880 951676311 /nfs/dbraw/zinc/67/63/11/951676311.db2.gz JELVBOXNVSQXHI-OCCSQVGLSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079409 951691249 /nfs/dbraw/zinc/69/12/49/951691249.db2.gz DPVXFZUEJRYNBI-LRDDRELGSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)COCC(F)F ZINC001575079535 951693936 /nfs/dbraw/zinc/69/39/36/951693936.db2.gz QRYBROYYQWNAHI-SNVBAGLBSA-N 1 0 386.378 1.224 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(O)ccc1Cl)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575080013 951703479 /nfs/dbraw/zinc/70/34/79/951703479.db2.gz IWUOZVNQVFRKGG-SNVBAGLBSA-N 1 0 389.847 1.804 20 0 GDADRO C[C@@H](CNC(=O)c1csnn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080466 951711026 /nfs/dbraw/zinc/71/10/26/951711026.db2.gz MLPXHGVHEVQZKV-SECBINFHSA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cc(O)ccc1Cl ZINC001575080695 951714592 /nfs/dbraw/zinc/71/45/92/951714592.db2.gz MTOGFZHJMODXHV-SNVBAGLBSA-N 1 0 389.847 1.710 20 0 GDADRO C[C@@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081979 951729188 /nfs/dbraw/zinc/72/91/88/951729188.db2.gz WWIAOHVXSCUPSZ-KGLIPLIRSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575081929 951729710 /nfs/dbraw/zinc/72/97/10/951729710.db2.gz WSXHWUQANHXHCW-QFBILLFUSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](CNC(=O)[C@@]1(C)CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082072 951731572 /nfs/dbraw/zinc/73/15/72/951731572.db2.gz UWHJPQQCJXWUKG-XIKOKIGWSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](C[NH2+]Cc1c(F)cccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575082462 951734308 /nfs/dbraw/zinc/73/43/08/951734308.db2.gz ZHPHBQKFMOILCD-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccccc1O ZINC001575089400 951748585 /nfs/dbraw/zinc/74/85/85/951748585.db2.gz FJTNYWAZKMLDLI-LBPRGKRZSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090346 951760249 /nfs/dbraw/zinc/76/02/49/951760249.db2.gz KRPSBAVXOGBEIV-IUODEOHRSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091076 951768733 /nfs/dbraw/zinc/76/87/33/951768733.db2.gz NNZQLMLMCYTWKM-CQSZACIVSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001575091143 951770212 /nfs/dbraw/zinc/77/02/12/951770212.db2.gz OAXXFZFBMTYOKV-HUUCEWRRSA-N 1 0 382.472 1.556 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1OCCCO1 ZINC001575091716 951781852 /nfs/dbraw/zinc/78/18/52/951781852.db2.gz WRYVEXSCMSGQNF-LBPRGKRZSA-N 1 0 392.435 1.095 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CCc1cn[nH]c1 ZINC001575092221 951790274 /nfs/dbraw/zinc/79/02/74/951790274.db2.gz ZDCUGXSNYBFCSP-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001575092583 951794141 /nfs/dbraw/zinc/79/41/41/951794141.db2.gz FRTBKIKEDMQOPT-CABCVRRESA-N 1 0 382.472 1.651 20 0 GDADRO C[C@@H](CNC(=O)COc1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098727 951826248 /nfs/dbraw/zinc/82/62/48/951826248.db2.gz FQYCWURAQKXRDM-GFCCVEGCSA-N 1 0 387.469 1.244 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575099173 951829933 /nfs/dbraw/zinc/82/99/33/951829933.db2.gz IJBLNIKATNLULC-CHWSQXEVSA-N 1 0 378.502 1.824 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1nccs1 ZINC001575099058 951831107 /nfs/dbraw/zinc/83/11/07/951831107.db2.gz HYRAOSGOYHOQGC-NSHDSACASA-N 1 0 391.526 1.954 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)c1cnsn1)C1CC1 ZINC001575099549 951837553 /nfs/dbraw/zinc/83/75/53/951837553.db2.gz MZGJCOSQKDBHRX-OAHLLOKOSA-N 1 0 390.498 1.468 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)c1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100802 951846925 /nfs/dbraw/zinc/84/69/25/951846925.db2.gz VGZFBRNMSCUKJK-STQMWFEESA-N 1 0 385.497 1.969 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1cnccn1 ZINC001575100812 951847520 /nfs/dbraw/zinc/84/75/20/951847520.db2.gz VLQQCNBIOACOIB-GFCCVEGCSA-N 1 0 386.485 1.288 20 0 GDADRO C[C@@H](CNC(=O)Cc1cncs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100907 951849347 /nfs/dbraw/zinc/84/93/47/951849347.db2.gz WNWJZAKGCSAUAB-SNVBAGLBSA-N 1 0 377.499 1.469 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575102356 951867041 /nfs/dbraw/zinc/86/70/41/951867041.db2.gz LOTPUSWWDDYSLG-YJYMSZOUSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](CNC(=O)c1nccs1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102402 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/nfs/dbraw/zinc/63/79/41/952637941.db2.gz MWIHJNKOTDVIPZ-JSGCOSHPSA-N 1 0 378.502 1.681 20 0 GDADRO CCc1ccccc1CC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571151375 952674303 /nfs/dbraw/zinc/67/43/03/952674303.db2.gz POOQQNHXMNYTLT-KRWDZBQOSA-N 1 0 379.468 1.804 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cccn1C ZINC001571151686 952676433 /nfs/dbraw/zinc/67/64/33/952676433.db2.gz UOTMWDMETSHGGG-YOEHRIQHSA-N 1 0 379.468 1.988 20 0 GDADRO O=C(c1cnoc1C1CC1)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571161876 952735043 /nfs/dbraw/zinc/73/50/43/952735043.db2.gz DAIRVFKOVVBWJA-GFCCVEGCSA-N 1 0 380.412 1.266 20 0 GDADRO C[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165670 952753010 /nfs/dbraw/zinc/75/30/10/952753010.db2.gz HKJIGMRTBNZHFX-XJKSGUPXSA-N 1 0 380.456 1.017 20 0 GDADRO CCc1nc[nH]c1C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571165859 952755769 /nfs/dbraw/zinc/75/57/69/952755769.db2.gz HXEAZKXEXPKHOL-DOMZBBRYSA-N 1 0 380.456 1.545 20 0 GDADRO CC1(C)CN(c2cc[nH+]cc2-c2nn[nH]n2)CC[C@@H]1NC(=O)Cc1ccc[nH]1 ZINC001571166345 952760593 /nfs/dbraw/zinc/76/05/93/952760593.db2.gz LSNQSPCMFKYVGI-INIZCTEOSA-N 1 0 380.456 1.554 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571166338 952760740 /nfs/dbraw/zinc/76/07/40/952760740.db2.gz LQBGKNXKEGOCFV-OAHLLOKOSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571166869 952766686 /nfs/dbraw/zinc/76/66/86/952766686.db2.gz QSQOSBIYXIVHNQ-QAQDUYKDSA-N 1 0 380.456 1.695 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167076 952769064 /nfs/dbraw/zinc/76/90/64/952769064.db2.gz VAMUZSMCZTXPGF-CZUORRHYSA-N 1 0 380.456 1.098 20 0 GDADRO Cc1ccnn1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1C ZINC001571169363 952772143 /nfs/dbraw/zinc/77/21/43/952772143.db2.gz ATBCAXRGQKYTKZ-RHSMWYFYSA-N 1 0 380.456 1.151 20 0 GDADRO CCn1ccc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)n1 ZINC001571169858 952779312 /nfs/dbraw/zinc/77/93/12/952779312.db2.gz PFXZDSMKWJGJLU-XJKSGUPXSA-N 1 0 380.456 1.476 20 0 GDADRO O=C(Cn1ccnc1)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571171925 952799228 /nfs/dbraw/zinc/79/92/28/952799228.db2.gz IOPSHBNJZVWDMC-QGZVFWFLSA-N 1 0 380.456 1.234 20 0 GDADRO O=C(Cn1cccn1)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172259 952804681 /nfs/dbraw/zinc/80/46/81/952804681.db2.gz QYAHMYXEXAFRHH-NVXWUHKLSA-N 1 0 380.456 1.138 20 0 GDADRO O=C(Cc1cc[nH]n1)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172307 952805035 /nfs/dbraw/zinc/80/50/35/952805035.db2.gz SKKXGPPTEYUXGS-GJZGRUSLSA-N 1 0 380.456 1.350 20 0 GDADRO C[C@H]1CN(C(=O)c2ccncc2)C[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571178573 952843343 /nfs/dbraw/zinc/84/33/43/952843343.db2.gz NJNUAYPFSGKIPZ-SJCJKPOMSA-N 1 0 381.415 1.651 20 0 GDADRO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2C)c(C)o1 ZINC001571179666 952856915 /nfs/dbraw/zinc/85/69/15/952856915.db2.gz IODFMXPKMGHBJQ-BDJLRTHQSA-N 1 0 381.440 1.722 20 0 GDADRO Cc1cnoc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC001571181751 952865083 /nfs/dbraw/zinc/86/50/83/952865083.db2.gz XUORSKAQXAZSJZ-BBRMVZONSA-N 1 0 381.440 1.946 20 0 GDADRO Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)c1 ZINC001571182847 952869557 /nfs/dbraw/zinc/86/95/57/952869557.db2.gz HUBJFYHJJFNXNJ-SHTZXODSSA-N 1 0 381.415 1.760 20 0 GDADRO O=C(c1ccccn1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571182954 952870807 /nfs/dbraw/zinc/87/08/07/952870807.db2.gz KODDNQNMNABRDW-CQSZACIVSA-N 1 0 381.415 1.795 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)CCc2ccco2)CC1 ZINC001571183077 952872916 /nfs/dbraw/zinc/87/29/16/952872916.db2.gz NTLOEFTZILNTND-UHFFFAOYSA-N 1 0 381.440 1.702 20 0 GDADRO O=C(c1ccccn1)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571183130 952874434 /nfs/dbraw/zinc/87/44/34/952874434.db2.gz PPXQIBLGEWUOFR-AWEZNQCLSA-N 1 0 381.415 1.653 20 0 GDADRO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1C ZINC001571183270 952875396 /nfs/dbraw/zinc/87/53/96/952875396.db2.gz UZKCXKYMXPWGTD-OAHLLOKOSA-N 1 0 381.440 1.516 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@H](C)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571185272 952901434 /nfs/dbraw/zinc/90/14/34/952901434.db2.gz KGGLCPYVJHKSMO-YPMHNXCESA-N 1 0 381.444 1.328 20 0 GDADRO Cc1cc(N2CCC(N(C)C(=O)c3ccnn3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571187645 952909520 /nfs/dbraw/zinc/90/95/20/952909520.db2.gz AHVJSYOLLLQJBM-UHFFFAOYSA-N 1 0 381.444 1.045 20 0 GDADRO CN(C[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571189957 952937894 /nfs/dbraw/zinc/93/78/94/952937894.db2.gz APHRRWBSQYEWSG-BSXFFOKHSA-N 1 0 381.484 1.983 20 0 GDADRO O=C(NC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001571191201 952945876 /nfs/dbraw/zinc/94/58/76/952945876.db2.gz OHYFIXJEVVEBPM-MSOLQXFVSA-N 1 0 381.484 1.184 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)(F)F ZINC001571194249 952959380 /nfs/dbraw/zinc/95/93/80/952959380.db2.gz KMDGAZYCMPMLKT-GWCFXTLKSA-N 1 0 382.390 1.988 20 0 GDADRO CN(C[C@H]1CCN(C(=O)c2cncc(F)c2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571195540 952976070 /nfs/dbraw/zinc/97/60/70/952976070.db2.gz BFLVZUDFPJDLGB-GFCCVEGCSA-N 1 0 382.403 1.394 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)nn1 ZINC001571195494 952976584 /nfs/dbraw/zinc/97/65/84/952976584.db2.gz AOGODNABYAQQJF-HDJSIYSDSA-N 1 0 382.403 1.155 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571199717 953004182 /nfs/dbraw/zinc/00/41/82/953004182.db2.gz AAXVYKQRRHMUCP-LRDDRELGSA-N 1 0 382.428 1.415 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccco3)[C@H]2C)cc1-c1nn[nH]n1 ZINC001571199986 953006401 /nfs/dbraw/zinc/00/64/01/953006401.db2.gz GEUXZDVTRGBYKF-DOMZBBRYSA-N 1 0 382.424 1.861 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)no1 ZINC001571200157 953007486 /nfs/dbraw/zinc/00/74/86/953007486.db2.gz BCVXZSCBDRFEPG-OAHLLOKOSA-N 1 0 382.428 1.251 20 0 GDADRO Cc1nc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C)co1 ZINC001571201330 953015921 /nfs/dbraw/zinc/01/59/21/953015921.db2.gz KCKLZHMGHYECMN-YPMHNXCESA-N 1 0 382.428 1.394 20 0 GDADRO Cc1conc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@H]21 ZINC001571201675 953019590 /nfs/dbraw/zinc/01/95/90/953019590.db2.gz MVIQDQGDIXJCSU-MLGOLLRUSA-N 1 0 382.428 1.228 20 0 GDADRO CC1(C)CN(c2cc[nH+]cc2-c2nn[nH]n2)CC[C@@H]1NC(=O)Cc1cnoc1 ZINC001571202397 953023959 /nfs/dbraw/zinc/02/39/59/953023959.db2.gz WBTHFZWPCJSNNE-HNNXBMFYSA-N 1 0 382.428 1.214 20 0 GDADRO Cc1conc1C(=O)N1CCC[C@H]1CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571202626 953027526 /nfs/dbraw/zinc/02/75/26/953027526.db2.gz WONHITQOEAPIIS-ZDUSSCGKSA-N 1 0 382.428 1.608 20 0 GDADRO Cc1nonc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571204699 953032387 /nfs/dbraw/zinc/03/23/87/953032387.db2.gz CEDNRLCSBUVQMI-AWEZNQCLSA-N 1 0 382.428 1.343 20 0 GDADRO Cc1nocc1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571205742 953041165 /nfs/dbraw/zinc/04/11/65/953041165.db2.gz LHRCQVJLTMEXAD-CVEARBPZSA-N 1 0 382.428 1.370 20 0 GDADRO Cc1nocc1C[N@@H+]1CC[C@@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@@H]12 ZINC001571207061 953059256 /nfs/dbraw/zinc/05/92/56/953059256.db2.gz VMXMIVZQXMCIAI-QAPCUYQASA-N 1 0 382.428 1.418 20 0 GDADRO C[C@]12CN(C(=O)[C@@H]3CCOC3)C[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571209787 953067941 /nfs/dbraw/zinc/06/79/41/953067941.db2.gz DXDVDNLQOHHIDJ-HLIPFELVSA-N 1 0 382.468 1.184 20 0 GDADRO O=C(C[C@H]1CCOC1)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571209903 953068532 /nfs/dbraw/zinc/06/85/32/953068532.db2.gz IGLZKPFRGOCQGU-QGPMSJSTSA-N 1 0 382.468 1.326 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571210803 953074383 /nfs/dbraw/zinc/07/43/83/953074383.db2.gz XKCUSTCPGQGUAA-JQHSSLGASA-N 1 0 382.468 1.469 20 0 GDADRO O=C(C[C@@H]1CCCO1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571210743 953074552 /nfs/dbraw/zinc/07/45/52/953074552.db2.gz WFCGMPLQEGQDJX-OWSLCNJRSA-N 1 0 382.468 1.657 20 0 GDADRO O=C(C[C@H]1CCOC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571210895 953074865 /nfs/dbraw/zinc/07/48/65/953074865.db2.gz ZPVXZXOPAIHVMV-NXHRZFHOSA-N 1 0 382.468 1.469 20 0 GDADRO C[C@@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571212207 953085232 /nfs/dbraw/zinc/08/52/32/953085232.db2.gz IYKVYJQFYDURFN-ZIAGYGMSSA-N 1 0 382.472 1.006 20 0 GDADRO C[C@H]1CN(C(=O)c2cccn2C)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571230043 953173769 /nfs/dbraw/zinc/17/37/69/953173769.db2.gz RLNQIPFKWXYHKP-BLLLJJGKSA-N 1 0 383.431 1.595 20 0 GDADRO O=C(c1nccs1)N1CCC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571233898 953197083 /nfs/dbraw/zinc/19/70/83/953197083.db2.gz HJVJMSWQNPEGMI-UHFFFAOYSA-N 1 0 383.481 1.965 20 0 GDADRO Cc1cc(C(=O)N[C@H](C)C2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)ccn1 ZINC001571234018 953198617 /nfs/dbraw/zinc/19/86/17/953198617.db2.gz KTGCPSSGWYIHDR-GFCCVEGCSA-N 1 0 383.481 1.882 20 0 GDADRO C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@H]1CCCN1C(=O)c1cn[nH]c1 ZINC001571238781 953232167 /nfs/dbraw/zinc/23/21/67/953232167.db2.gz AICVQVGGCMQZAG-OAHLLOKOSA-N 1 0 384.419 1.466 20 0 GDADRO O=C(Cc1ccco1)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571239347 953237764 /nfs/dbraw/zinc/23/77/64/953237764.db2.gz IRXPMYVZQSXOTQ-AWEZNQCLSA-N 1 0 384.415 1.922 20 0 GDADRO CCn1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)c1 ZINC001571239378 953238566 /nfs/dbraw/zinc/23/85/66/953238566.db2.gz JUTTWXKFDPZQLJ-CQSZACIVSA-N 1 0 384.419 1.227 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)n1cccn1 ZINC001571239438 953239661 /nfs/dbraw/zinc/23/96/61/953239661.db2.gz LUFVHVRGZZKMSX-BNOWGMLFSA-N 1 0 384.419 1.200 20 0 GDADRO O=C(Cc1ccoc1)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239579 953240248 /nfs/dbraw/zinc/24/02/48/953240248.db2.gz MZJFIUHWCIGGTB-UHFFFAOYSA-N 1 0 384.415 1.826 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571241963 953251431 /nfs/dbraw/zinc/25/14/31/953251431.db2.gz RCMKRAVXDWNXEZ-JOCQHMNTSA-N 1 0 384.419 1.396 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC001571242307 953255571 /nfs/dbraw/zinc/25/55/71/953255571.db2.gz YXNUQJQGNRBOOR-UHFFFAOYSA-N 1 0 384.419 1.371 20 0 GDADRO CCc1noc(C)c1C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571242489 953256915 /nfs/dbraw/zinc/25/69/15/953256915.db2.gz HRSLSFRQKYVMPV-PWSUYJOCSA-N 1 0 384.444 1.446 20 0 GDADRO CC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC001571247745 953285382 /nfs/dbraw/zinc/28/53/82/953285382.db2.gz DCAYWELKIZCBCE-OAHLLOKOSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(N[C@@H]1CC12CC[NH+](Cc1ccns1)CC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571247868 953286986 /nfs/dbraw/zinc/28/69/86/953286986.db2.gz GTZYMNFTRCLSKO-CQSZACIVSA-N 1 0 384.469 1.436 20 0 GDADRO CC[C@@H](OC)C(=O)N1CC[C@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571247992 953287874 /nfs/dbraw/zinc/28/78/74/953287874.db2.gz KMQDUGGBJTXUJL-XLIONFOSSA-N 1 0 384.484 1.716 20 0 GDADRO CC[C@H](OC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571248308 953291406 /nfs/dbraw/zinc/29/14/06/953291406.db2.gz QBOOAZZXQBPAOG-SQNIBIBYSA-N 1 0 384.484 1.857 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC001571248304 953291807 /nfs/dbraw/zinc/29/18/07/953291807.db2.gz PXHJLZHEICMUQX-ROUUACIJSA-N 1 0 384.484 1.859 20 0 GDADRO C[C@@](O)(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001571248611 953295497 /nfs/dbraw/zinc/29/54/97/953295497.db2.gz WLWFLBKRXCIIPY-YLJYHZDGSA-N 1 0 384.484 1.498 20 0 GDADRO Cc1ncc(C[NH2+]C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C)o1 ZINC001571248958 953299782 /nfs/dbraw/zinc/29/97/82/953299782.db2.gz MWJRWERMKTWXBB-WCQYABFASA-N 1 0 384.444 1.379 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001571249095 953300791 /nfs/dbraw/zinc/30/07/91/953300791.db2.gz DEPKHHSLVJIOEF-KKUMJFAQSA-N 1 0 384.488 1.443 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCCO1 ZINC001571249416 953304859 /nfs/dbraw/zinc/30/48/59/953304859.db2.gz IOKKNNUFMUZNST-FUHWJXTLSA-N 1 0 384.484 1.907 20 0 GDADRO C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571250613 953312710 /nfs/dbraw/zinc/31/27/10/953312710.db2.gz REDTYCPVUJGBNW-UKRRQHHQSA-N 1 0 384.488 1.252 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571251388 953316634 /nfs/dbraw/zinc/31/66/34/953316634.db2.gz 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CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](C)[C@H](C(=O)[O-])C3)cc2)CC1 ZINC001603768322 974217313 /nfs/dbraw/zinc/21/73/13/974217313.db2.gz MZWZGSIISWTKGA-VQIMIIECSA-N 1 0 388.512 1.810 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001597302519 987413141 /nfs/dbraw/zinc/41/31/41/987413141.db2.gz FATTUNFNQPDWPZ-DLBZAZTESA-N 1 0 375.473 1.155 20 0 GDADRO C[NH+](C)CCOc1ccc(C[NH2+]C2(CC(=O)[O-])CCS(=O)(=O)CC2)cc1 ZINC001598236367 990960975 /nfs/dbraw/zinc/96/09/75/990960975.db2.gz YGYDHDSOIHWHON-UHFFFAOYSA-N 1 0 384.498 1.139 20 0 GDADRO CNC(=O)[C@@H](C[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1)Cc1ccc(F)cc1C ZINC001598634492 994225187 /nfs/dbraw/zinc/22/51/87/994225187.db2.gz MIJRREVZYHHRCW-QGZVFWFLSA-N 1 0 393.503 1.958 20 0 GDADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)CC1 ZINC001593723222 996256011 /nfs/dbraw/zinc/25/60/11/996256011.db2.gz NNESEFPEWAFRCZ-NVXWUHKLSA-N 1 0 389.500 1.265 20 0 GDADRO 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CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000171602602 530601368 /nfs/dbraw/zinc/60/13/68/530601368.db2.gz IZIMNSUFYAJUNR-CYBMUJFWSA-N 1 0 386.543 1.426 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000171678919 530602186 /nfs/dbraw/zinc/60/21/86/530602186.db2.gz PLBQVZCQIHTFEW-CYBMUJFWSA-N 1 0 386.543 1.555 20 0 GDADRO CC(C)N(CCCNC(=O)C[NH+]1CCC(C(C)(C)C)CC1)S(C)(=O)=O ZINC000172032415 530607364 /nfs/dbraw/zinc/60/73/64/530607364.db2.gz GBAXCIDRPKLOBJ-UHFFFAOYSA-N 1 0 375.579 1.921 20 0 GDADRO CCOc1c(Br)cc(C[NH2+]CCNS(C)(=O)=O)cc1OC ZINC000036815675 530615721 /nfs/dbraw/zinc/61/57/21/530615721.db2.gz RXDAYJPPZIRSQI-UHFFFAOYSA-N 1 0 381.292 1.495 20 0 GDADRO Cc1ccc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc1I ZINC000037029007 530615726 /nfs/dbraw/zinc/61/57/26/530615726.db2.gz MGZLWHDEWUAODQ-LLVKDONJSA-N 1 0 396.250 1.300 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000172292844 530611648 /nfs/dbraw/zinc/61/16/48/530611648.db2.gz 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ZINC000174028641 530642276 /nfs/dbraw/zinc/64/22/76/530642276.db2.gz CTWKLVHPNXAHKJ-GFCCVEGCSA-N 1 0 394.946 1.706 20 0 GDADRO CCS(=O)(=O)NCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000051676725 530680670 /nfs/dbraw/zinc/68/06/70/530680670.db2.gz CVTRLOGDSBAIMT-AWEZNQCLSA-N 1 0 388.559 1.514 20 0 GDADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000176360983 530681802 /nfs/dbraw/zinc/68/18/02/530681802.db2.gz XDWXKYQBDOPSDI-SNVBAGLBSA-N 1 0 389.237 1.544 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccsc1 ZINC000045659375 530645372 /nfs/dbraw/zinc/64/53/72/530645372.db2.gz HVUDTPBSNPFNDV-OAHLLOKOSA-N 1 0 382.511 1.498 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCOc2ccc(Br)cc2)CC1=O ZINC000174345367 530646911 /nfs/dbraw/zinc/64/69/11/530646911.db2.gz WKZZBZZUICTORX-ZDUSSCGKSA-N 1 0 398.301 1.354 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000174673705 530651914 /nfs/dbraw/zinc/65/19/14/530651914.db2.gz RNSPRKBYDOYLCM-UHFFFAOYSA-N 1 0 396.285 1.893 20 0 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1.795 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(c3ncnc4c3c(Br)nn4C)C2)CC1 ZINC000106479288 530849004 /nfs/dbraw/zinc/84/90/04/530849004.db2.gz VJIWWCWQWJEOGO-GFCCVEGCSA-N 1 0 394.321 1.342 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)CC1 ZINC000106894129 530850739 /nfs/dbraw/zinc/85/07/39/530850739.db2.gz XIBJKBXIBZVYSN-CQSZACIVSA-N 1 0 387.933 1.749 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3Cl)C2)CC1 ZINC000106894117 530850835 /nfs/dbraw/zinc/85/08/35/530850835.db2.gz TVYOKAHCZKKEBW-CQSZACIVSA-N 1 0 375.897 1.880 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Br)s1 ZINC000106895556 530851672 /nfs/dbraw/zinc/85/16/72/530851672.db2.gz DABCGOVJAJEXOP-SNVBAGLBSA-N 1 0 382.349 1.425 20 0 GDADRO CCS(=O)(=O)NCC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000186122456 530851737 /nfs/dbraw/zinc/85/17/37/530851737.db2.gz NJDTZWUOWRFYBW-ZDUSSCGKSA-N 1 0 381.420 1.364 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)NCC1=CC[NH2+]CC1 ZINC000186347607 530855732 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Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000262515470 531123314 /nfs/dbraw/zinc/12/33/14/531123314.db2.gz RJDINSAPSCOXEQ-IZGVIRRGSA-N 1 0 383.539 1.609 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000263165658 531140101 /nfs/dbraw/zinc/14/01/01/531140101.db2.gz ZOMFCCCUSVUXDP-CWRNSKLLSA-N 1 0 385.555 1.201 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000262547616 531123915 /nfs/dbraw/zinc/12/39/15/531123915.db2.gz RXNQFJVVVDQPDL-CYBMUJFWSA-N 1 0 388.331 1.426 20 0 GDADRO COc1ccc(I)c(NC(=O)C[C@H]2COCC[NH2+]2)c1 ZINC000262565801 531124647 /nfs/dbraw/zinc/12/46/47/531124647.db2.gz RQFROYGTDMSMHZ-VIFPVBQESA-N 1 0 376.194 1.617 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000262582587 531124814 /nfs/dbraw/zinc/12/48/14/531124814.db2.gz QGBUXMNNDQFTGY-CHWSQXEVSA-N 1 0 380.286 1.918 20 0 GDADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262589691 531124822 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C[NH2+]C1CCN(S(=O)(=O)c2cccc(I)c2)CC1 ZINC000262757545 531129523 /nfs/dbraw/zinc/12/95/23/531129523.db2.gz PZYAIPBWSZDXGD-UHFFFAOYSA-N 1 0 380.251 1.664 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1Br ZINC000262778433 531129948 /nfs/dbraw/zinc/12/99/48/531129948.db2.gz OFRHTQQDMVRMBA-UWVGGRQHSA-N 1 0 390.303 1.778 20 0 GDADRO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(I)c2)CC[NH2+]1 ZINC000262797675 531131277 /nfs/dbraw/zinc/13/12/77/531131277.db2.gz PYNBKYOSODYNPS-GXSJLCMTSA-N 1 0 380.251 1.710 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000262794775 531131490 /nfs/dbraw/zinc/13/14/90/531131490.db2.gz PAALZMSZLUQOFX-NWDGAFQWSA-N 1 0 393.506 1.395 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccncc2Br)CC1 ZINC000150953657 531131705 /nfs/dbraw/zinc/13/17/05/531131705.db2.gz VSOHYOLXLBLEJD-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 GDADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000262811336 531132111 /nfs/dbraw/zinc/13/21/11/531132111.db2.gz RDNJPRDIIXCZCI-OAHLLOKOSA-N 1 0 383.539 1.895 20 0 GDADRO C[NH+]1CCC(NS(=O)(=O)c2cccc(I)c2)CC1 ZINC000151025356 531132648 /nfs/dbraw/zinc/13/26/48/531132648.db2.gz WFZSFUKNCATCOL-UHFFFAOYSA-N 1 0 380.251 1.664 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH2+]CCOC)ccc1Cl ZINC000263113037 531138943 /nfs/dbraw/zinc/13/89/43/531138943.db2.gz FBWKCLCINDKAPX-UHFFFAOYSA-N 1 0 377.894 1.545 20 0 GDADRO C[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC1 ZINC000263650629 531146786 /nfs/dbraw/zinc/14/67/86/531146786.db2.gz DMMOFMBLCAGIEE-UHFFFAOYSA-N 1 0 389.568 1.310 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccccc1Br ZINC000151729506 531141776 /nfs/dbraw/zinc/14/17/76/531141776.db2.gz JDSVVSBCCLTYAO-LBPRGKRZSA-N 1 0 386.290 1.861 20 0 GDADRO COCC[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000152499344 531153025 /nfs/dbraw/zinc/15/30/25/531153025.db2.gz OAOROXCPYOZFSV-HNNXBMFYSA-N 1 0 388.295 1.950 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000152772836 531156942 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387.311 1.884 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNC(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000446188203 531406876 /nfs/dbraw/zinc/40/68/76/531406876.db2.gz UVFGNELWAVXBQH-CYBMUJFWSA-N 1 0 386.290 1.301 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)N2CCN(C(=O)c3ccsc3)CC2)CCSC1 ZINC000267176281 531407113 /nfs/dbraw/zinc/40/71/13/531407113.db2.gz LZNDVBLZRMGIQQ-QGZVFWFLSA-N 1 0 382.555 1.653 20 0 GDADRO COc1cc(C(=O)NCCC[N@H+](C)C2CCCCC2)sc1S(N)(=O)=O ZINC000447098507 531415920 /nfs/dbraw/zinc/41/59/20/531415920.db2.gz HWLMDVFOMPNUFG-UHFFFAOYSA-N 1 0 389.543 1.789 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C1 ZINC000484080080 531415977 /nfs/dbraw/zinc/41/59/77/531415977.db2.gz PHIMOCZIFRXADX-DTWKUNHWSA-N 1 0 393.278 1.801 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCC(C)(C)S(C)(=O)=O)C1 ZINC000413724733 531416140 /nfs/dbraw/zinc/41/61/40/531416140.db2.gz JMXOFGATVALSDK-HNNXBMFYSA-N 1 0 377.551 1.342 20 0 GDADRO COc1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)sc1S(N)(=O)=O ZINC000447100984 531416503 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COC(=O)[C@H]1CN(C(=O)Cc2cc(F)ccc2Br)CC[N@H+](C)C1 ZINC000413893593 531420629 /nfs/dbraw/zinc/42/06/29/531420629.db2.gz BGLNOKZWTQPGAU-GFCCVEGCSA-N 1 0 387.249 1.694 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000447250965 531423233 /nfs/dbraw/zinc/42/32/33/531423233.db2.gz NVTOVYFRQVMUIM-KGLIPLIRSA-N 1 0 389.543 1.075 20 0 GDADRO Cc1c(Cl)c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)sc1S(N)(=O)=O ZINC000279275150 531423304 /nfs/dbraw/zinc/42/33/04/531423304.db2.gz WXNJXRAPHLCSDI-SECBINFHSA-N 1 0 379.935 1.819 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1F ZINC000447254323 531424224 /nfs/dbraw/zinc/42/42/24/531424224.db2.gz AXSUJOYHKPIQCQ-NEPJUHHUSA-N 1 0 393.506 1.334 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000293528424 531427261 /nfs/dbraw/zinc/42/72/61/531427261.db2.gz UWBOLPRPBINNQP-DGCLKSJQSA-N 1 0 387.299 1.677 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c(C)cc1F ZINC000293548115 531427836 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/nfs/dbraw/zinc/43/74/50/531437450.db2.gz WXJZKKOYQXLCKZ-KBPBESRZSA-N 1 0 385.917 1.371 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)Oc1cccc(Br)c1 ZINC000485594967 531437592 /nfs/dbraw/zinc/43/75/92/531437592.db2.gz WGDXKUFFFWYYRA-GFCCVEGCSA-N 1 0 398.301 1.543 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCCC(=O)NC2CC2)cc1Br ZINC000414286689 531438093 /nfs/dbraw/zinc/43/80/93/531438093.db2.gz NMQYIMZSRJWBCA-UHFFFAOYSA-N 1 0 390.303 1.245 20 0 GDADRO NS(=O)(=O)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000414318878 531438415 /nfs/dbraw/zinc/43/84/15/531438415.db2.gz YHILEICDNRDZGV-OLZOCXBDSA-N 1 0 388.331 1.813 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(F)c(F)cc1F ZINC000360454328 531439604 /nfs/dbraw/zinc/43/96/04/531439604.db2.gz IMGYKSHCBOLGMW-KMUNFCNLSA-N 1 0 378.416 1.976 20 0 GDADRO COC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000267702228 531446141 /nfs/dbraw/zinc/44/61/41/531446141.db2.gz QLUTXEDIJHVRQV-GFCCVEGCSA-N 1 0 388.511 1.116 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)s1 ZINC000486123090 531446526 /nfs/dbraw/zinc/44/65/26/531446526.db2.gz PCSSGMCTFOPYJL-ZFWWWQNUSA-N 1 0 387.571 1.635 20 0 GDADRO Cc1nn2cc(S(=O)(=O)NC[C@@]3([NH+](C)C)CCSC3)cnc2c1Cl ZINC000535755187 531447413 /nfs/dbraw/zinc/44/74/13/531447413.db2.gz IYQBBENCPXOAJY-AWEZNQCLSA-N 1 0 389.934 1.407 20 0 GDADRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414348625 531442464 /nfs/dbraw/zinc/44/24/64/531442464.db2.gz JHEXXDIDULKACX-ZDUSSCGKSA-N 1 0 379.320 1.983 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000486043418 531444991 /nfs/dbraw/zinc/44/49/91/531444991.db2.gz SBHHPGDKVZZAKB-BBRMVZONSA-N 1 0 394.313 1.931 20 0 GDADRO CCOC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000486533779 531453886 /nfs/dbraw/zinc/45/38/86/531453886.db2.gz HQQFFZHNNPJDAH-LSDHHAIUSA-N 1 0 390.502 1.669 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1OC ZINC000279795474 531454569 /nfs/dbraw/zinc/45/45/69/531454569.db2.gz ORKWANANXKAJKV-NSHDSACASA-N 1 0 378.878 1.308 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(Br)cn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362065380 531456271 /nfs/dbraw/zinc/45/62/71/531456271.db2.gz KOVDXQRSGVMNSN-DZGCQCFKSA-N 1 0 383.334 1.886 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)cc1 ZINC000414469123 531456278 /nfs/dbraw/zinc/45/62/78/531456278.db2.gz ZVSGTKPIEHSHPE-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000448181127 531449654 /nfs/dbraw/zinc/44/96/54/531449654.db2.gz UJVYQGXVCLTDMF-ABAIWWIYSA-N 1 0 393.506 1.383 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000415305895 531473275 /nfs/dbraw/zinc/47/32/75/531473275.db2.gz KFJOYIUNDFRSJZ-UHFFFAOYSA-N 1 0 379.511 1.970 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000449693873 531473278 /nfs/dbraw/zinc/47/32/78/531473278.db2.gz FSPLAPZYIVOTEE-CQSZACIVSA-N 1 0 385.555 1.579 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NCCC[NH2+]C ZINC000415307079 531473347 /nfs/dbraw/zinc/47/33/47/531473347.db2.gz MPJNSMLYEMSCQG-UHFFFAOYSA-N 1 0 376.226 1.651 20 0 GDADRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000280113914 531473602 /nfs/dbraw/zinc/47/36/02/531473602.db2.gz BGQIZNXHTLBLJD-KRWDZBQOSA-N 1 0 382.302 1.983 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000449711796 531474016 /nfs/dbraw/zinc/47/40/16/531474016.db2.gz FMXOVTHPQDAZMQ-PWSUYJOCSA-N 1 0 382.258 1.418 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000449714026 531474054 /nfs/dbraw/zinc/47/40/54/531474054.db2.gz BDDVYTUBMQRXER-ZDUSSCGKSA-N 1 0 381.420 1.725 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000294335694 531474156 /nfs/dbraw/zinc/47/41/56/531474156.db2.gz YCGDGKUDHPYBNL-LLVKDONJSA-N 1 0 386.699 1.088 20 0 GDADRO CS(=O)(=O)N1CCCc2cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)ccc21 ZINC000449714795 531474178 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GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000415329296 531475492 /nfs/dbraw/zinc/47/54/92/531475492.db2.gz QNCHUUIMPISYTL-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000415344778 531476324 /nfs/dbraw/zinc/47/63/24/531476324.db2.gz OGBXWOGPPLWRJV-JTQLQIEISA-N 1 0 387.221 1.358 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000487598222 531476436 /nfs/dbraw/zinc/47/64/36/531476436.db2.gz NEBNQIWKBYTCQB-KCPJHIHWSA-N 1 0 380.286 1.646 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363217804 531476493 /nfs/dbraw/zinc/47/64/93/531476493.db2.gz BWWOKHFKHVHOOL-MRXNPFEDSA-N 1 0 396.329 1.894 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1Cl ZINC000415341383 531476936 /nfs/dbraw/zinc/47/69/36/531476936.db2.gz GQDHQFYBFVWJHJ-SNVBAGLBSA-N 1 0 390.267 1.777 20 0 GDADRO C[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)CN1CCOCC1 ZINC000294059616 531460001 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CCN(CC)S(=O)(=O)c1cc(NC(=O)N(C)C[C@H](O)C[NH3+])ccc1Cl ZINC000414716746 531463322 /nfs/dbraw/zinc/46/33/22/531463322.db2.gz ORSNZDLWUVTLGJ-GFCCVEGCSA-N 1 0 392.909 1.154 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000486910759 531464272 /nfs/dbraw/zinc/46/42/72/531464272.db2.gz YRAMFFDGJIRZIL-DFBGVHRSSA-N 1 0 380.286 1.646 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1cc(OC)c(OC)cc1Br ZINC000414986465 531464533 /nfs/dbraw/zinc/46/45/33/531464533.db2.gz CKXBUMYSCLTOFU-UHFFFAOYSA-N 1 0 376.251 1.824 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCn1cccn1 ZINC000449084678 531466241 /nfs/dbraw/zinc/46/62/41/531466241.db2.gz IFSLDIORDMZUOL-LBPRGKRZSA-N 1 0 381.274 1.949 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000415170172 531467228 /nfs/dbraw/zinc/46/72/28/531467228.db2.gz KPIURWUPOJPIDR-ZDUSSCGKSA-N 1 0 376.429 1.957 20 0 GDADRO O=C(NCCn1cc(Br)cn1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415209666 531467804 /nfs/dbraw/zinc/46/78/04/531467804.db2.gz IPKRMRBNHZBPDV-UHFFFAOYSA-N 1 0 392.257 1.046 20 0 GDADRO COc1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1NS(C)(=O)=O ZINC000415215045 531467819 /nfs/dbraw/zinc/46/78/19/531467819.db2.gz QFGWZAKPCBLYPI-LBPRGKRZSA-N 1 0 378.401 1.185 20 0 GDADRO [NH3+]CCNC(=O)C(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000415265356 531469640 /nfs/dbraw/zinc/46/96/40/531469640.db2.gz DWBDLYBDFCHTEJ-UHFFFAOYSA-N 1 0 394.229 1.390 20 0 GDADRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000449409506 531470178 /nfs/dbraw/zinc/47/01/78/531470178.db2.gz UMPQVDKWIMBFLE-NVXWUHKLSA-N 1 0 389.901 1.537 20 0 GDADRO OCCN1CCCC[C@H]1C[NH2+]Cc1ncc(I)s1 ZINC000449393726 531470232 /nfs/dbraw/zinc/47/02/32/531470232.db2.gz CSRDCEIWVVJDPM-JTQLQIEISA-N 1 0 381.283 1.684 20 0 GDADRO O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C(=O)N1CC[NH2+]CC1 ZINC000415281175 531471537 /nfs/dbraw/zinc/47/15/37/531471537.db2.gz NCGSTKHJOBJXOF-UHFFFAOYSA-N 1 0 382.251 1.609 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc(OC)c1Br ZINC000415298666 531472332 /nfs/dbraw/zinc/47/23/32/531472332.db2.gz HBPNHOKPRMUSMZ-VIFPVBQESA-N 1 0 386.246 1.273 20 0 GDADRO O[C@@H](COC1CCOCC1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363102897 531472724 /nfs/dbraw/zinc/47/27/24/531472724.db2.gz YCFHXPCEYFJKED-OAHLLOKOSA-N 1 0 388.306 1.839 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000415300462 531472903 /nfs/dbraw/zinc/47/29/03/531472903.db2.gz OWTPKXYVSHMVON-CYBMUJFWSA-N 1 0 395.301 1.808 20 0 GDADRO C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Br)cn1 ZINC000280173402 531478582 /nfs/dbraw/zinc/47/85/82/531478582.db2.gz ZHZBHOJNMFYPHJ-RYUDHWBXSA-N 1 0 383.290 1.431 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000415367406 531479727 /nfs/dbraw/zinc/47/97/27/531479727.db2.gz HWAGZKLXDXHAGU-JTQLQIEISA-N 1 0 384.230 1.124 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)NCC2C[NH2+]C2)c1 ZINC000415366127 531479942 /nfs/dbraw/zinc/47/99/42/531479942.db2.gz XQOQEZFKRNEVMX-UHFFFAOYSA-N 1 0 389.193 1.419 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)ccc1OCCOC ZINC000415368978 531480076 /nfs/dbraw/zinc/48/00/76/531480076.db2.gz ODMBRLFIJISTCG-UHFFFAOYSA-N 1 0 388.262 1.139 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415387175 531481690 /nfs/dbraw/zinc/48/16/90/531481690.db2.gz XQPBYCMUMKKEFD-LLVKDONJSA-N 1 0 382.251 1.986 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000415382047 531481758 /nfs/dbraw/zinc/48/17/58/531481758.db2.gz VSHHFWFGSMPGMT-LURJTMIESA-N 1 0 397.163 1.361 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000268185536 531483039 /nfs/dbraw/zinc/48/30/39/531483039.db2.gz OHCRUKAYAWZMFW-UHFFFAOYSA-N 1 0 378.878 1.373 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc(OC)c1Br ZINC000415407699 531483459 /nfs/dbraw/zinc/48/34/59/531483459.db2.gz BIKLJCAVRBVCBI-SECBINFHSA-N 1 0 386.246 1.225 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1ccc(I)cc1 ZINC000415414307 531483998 /nfs/dbraw/zinc/48/39/98/531483998.db2.gz ZTMVKEMEAJKMKZ-JTQLQIEISA-N 1 0 387.221 1.346 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363397688 531484345 /nfs/dbraw/zinc/48/43/45/531484345.db2.gz VCRLQIZOYCDMAQ-IUODEOHRSA-N 1 0 385.306 1.966 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415415478 531484323 /nfs/dbraw/zinc/48/43/23/531484323.db2.gz QTNMGQSZIGKOBQ-SNVBAGLBSA-N 1 0 379.258 1.908 20 0 GDADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000415416430 531484409 /nfs/dbraw/zinc/48/44/09/531484409.db2.gz NHISVKCHQCPBJW-LLVKDONJSA-N 1 0 384.274 1.995 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363397689 531484784 /nfs/dbraw/zinc/48/47/84/531484784.db2.gz VCRLQIZOYCDMAQ-SWLSCSKDSA-N 1 0 385.306 1.966 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)CC[NH2+]1 ZINC000415425864 531484974 /nfs/dbraw/zinc/48/49/74/531484974.db2.gz DBMZEMSHHXSRGP-LLVKDONJSA-N 1 0 383.290 1.270 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415425703 531485230 /nfs/dbraw/zinc/48/52/30/531485230.db2.gz KRVQLTDLGCTNGB-GFCCVEGCSA-N 1 0 389.237 1.719 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)CC[C@@H]1[NH3+] ZINC000415429299 531485284 /nfs/dbraw/zinc/48/52/84/531485284.db2.gz DPHUAKUVPPLETJ-ZJUUUORDSA-N 1 0 392.257 1.527 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415437266 531485882 /nfs/dbraw/zinc/48/58/82/531485882.db2.gz PAFVCCAQEBVKNE-JTQLQIEISA-N 1 0 387.221 1.358 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000415435952 531485998 /nfs/dbraw/zinc/48/59/98/531485998.db2.gz NWJLSSQNVLAVJY-SNVBAGLBSA-N 1 0 387.221 1.358 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000415545710 531493488 /nfs/dbraw/zinc/49/34/88/531493488.db2.gz LCGIPLVMAAIOMV-UHFFFAOYSA-N 1 0 378.256 1.635 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC[C@H]1[NH3+] ZINC000415451869 531487956 /nfs/dbraw/zinc/48/79/56/531487956.db2.gz KTLFJGXBJOZATB-WRWORJQWSA-N 1 0 376.201 1.862 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415467425 531488441 /nfs/dbraw/zinc/48/84/41/531488441.db2.gz UXGZLSQDKRIIQQ-ZYHUDNBSSA-N 1 0 384.274 1.982 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3c(Br)cnn3C)CC2)CC1 ZINC000450176343 531488649 /nfs/dbraw/zinc/48/86/49/531488649.db2.gz HTQCPWMRWDHMHO-UHFFFAOYSA-N 1 0 398.349 1.813 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000545154150 531489283 /nfs/dbraw/zinc/48/92/83/531489283.db2.gz IHQXVENXZPSFQC-SJCJKPOMSA-N 1 0 386.279 1.529 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000415488277 531489873 /nfs/dbraw/zinc/48/98/73/531489873.db2.gz STSAVGIVJAIWJP-LLVKDONJSA-N 1 0 387.221 1.488 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415497259 531490655 /nfs/dbraw/zinc/49/06/55/531490655.db2.gz OZXAKKJPGXHHGE-CQSZACIVSA-N 1 0 397.317 1.660 20 0 GDADRO COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(C)cc1Br ZINC000450261742 531490990 /nfs/dbraw/zinc/49/09/90/531490990.db2.gz JOJFZTRFLSMFJC-AWEZNQCLSA-N 1 0 380.242 1.924 20 0 GDADRO COC(=O)c1ccc(CN2CCN(C(=O)C[NH+](C)C)CC2)c(Br)c1 ZINC000450251587 531491782 /nfs/dbraw/zinc/49/17/82/531491782.db2.gz BVBJDBCMOKPUPH-UHFFFAOYSA-N 1 0 398.301 1.442 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(F)cc1I)C1CC1 ZINC000415543443 531492300 /nfs/dbraw/zinc/49/23/00/531492300.db2.gz XJJYKZCJOCLJEW-SNVBAGLBSA-N 1 0 391.184 1.222 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000415543743 531492460 /nfs/dbraw/zinc/49/24/60/531492460.db2.gz DNFARJLGVPNDJX-UHFFFAOYSA-N 1 0 386.246 1.160 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cccc(F)c1I ZINC000415352237 531478226 /nfs/dbraw/zinc/47/82/26/531478226.db2.gz AWFMVSQQOMLHCQ-VIFPVBQESA-N 1 0 393.200 1.930 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000415359241 531478396 /nfs/dbraw/zinc/47/83/96/531478396.db2.gz VNQFKDQWOSMMQL-SNVBAGLBSA-N 1 0 398.257 1.372 20 0 GDADRO 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COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415865938 531546466 /nfs/dbraw/zinc/54/64/66/531546466.db2.gz JHIVWZCKELXQIJ-NSHDSACASA-N 1 0 384.274 1.963 20 0 GDADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000364228402 531546562 /nfs/dbraw/zinc/54/65/62/531546562.db2.gz TUPWSPBNXAVCEC-ILXRZTDVSA-N 1 0 378.535 1.814 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCCO1 ZINC000415866269 531546758 /nfs/dbraw/zinc/54/67/58/531546758.db2.gz VDIODKOFRZPOBW-GFCCVEGCSA-N 1 0 379.766 1.874 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415870914 531547952 /nfs/dbraw/zinc/54/79/52/531547952.db2.gz PUCMSHXBBSEFRD-UHFFFAOYSA-N 1 0 384.274 1.963 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cc(Cl)ccc1Br ZINC000415870943 531548515 /nfs/dbraw/zinc/54/85/15/531548515.db2.gz TWVOTUVAYCZOFG-VIFPVBQESA-N 1 0 376.638 1.146 20 0 GDADRO Cn1cc(Br)cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1=O ZINC000364293674 531550800 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CC[NH+](CC)CCSCC(=O)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000268550251 531535486 /nfs/dbraw/zinc/53/54/86/531535486.db2.gz DIQUIXQBWPLYFZ-ZDUSSCGKSA-N 1 0 376.469 1.896 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)c(Br)c1 ZINC000280754147 531536382 /nfs/dbraw/zinc/53/63/82/531536382.db2.gz PXFBPDDKCWIKEU-GFCCVEGCSA-N 1 0 393.303 1.409 20 0 GDADRO C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])Oc1cccc(Br)c1 ZINC000659701079 531555025 /nfs/dbraw/zinc/55/50/25/531555025.db2.gz BKEINZYBHOWHCS-LLVKDONJSA-N 1 0 386.290 1.528 20 0 GDADRO NC(=O)[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000416039478 531555169 /nfs/dbraw/zinc/55/51/69/531555169.db2.gz GOGTVOUOKMRFRP-VHSXEESVSA-N 1 0 397.195 1.554 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)Oc1ccc(Br)cc1 ZINC000659702845 531555563 /nfs/dbraw/zinc/55/55/63/531555563.db2.gz RPEPVDSOVCDFOA-ZBFVHZJFSA-N 1 0 396.285 1.282 20 0 GDADRO CC[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280912382 531556562 /nfs/dbraw/zinc/55/65/62/531556562.db2.gz QMBWHDXTQRXOEP-AWEZNQCLSA-N 1 0 389.905 1.148 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCN(c3ccc(Br)cc3)CC2)CCC1 ZINC000659723995 531556799 /nfs/dbraw/zinc/55/67/99/531556799.db2.gz PGRSZRWSNHDXCI-UHFFFAOYSA-N 1 0 395.301 1.095 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000552713033 531556990 /nfs/dbraw/zinc/55/69/90/531556990.db2.gz FWHYLYIGWVEJFI-CABCVRRESA-N 1 0 385.555 1.749 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000659713646 531557256 /nfs/dbraw/zinc/55/72/56/531557256.db2.gz GWKIWNTUUQLCFU-OAHLLOKOSA-N 1 0 385.295 1.496 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1Br ZINC000582946969 531557854 /nfs/dbraw/zinc/55/78/54/531557854.db2.gz MWJSQZQXKMDTFS-PWSUYJOCSA-N 1 0 384.249 1.998 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000659754584 531559423 /nfs/dbraw/zinc/55/94/23/531559423.db2.gz VPLPZKROZVEDEL-SMDDNHRTSA-N 1 0 384.274 1.073 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000659749715 531559603 /nfs/dbraw/zinc/55/96/03/531559603.db2.gz BFNNSWOOGMWSCU-NXEZZACHSA-N 1 0 378.420 1.592 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000659744590 531559801 /nfs/dbraw/zinc/55/98/01/531559801.db2.gz XQYQFDZEUUEYSQ-UHFFFAOYSA-N 1 0 378.270 1.202 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612879962 531560444 /nfs/dbraw/zinc/56/04/44/531560444.db2.gz HIFGQTQEAFREQD-KRWDZBQOSA-N 1 0 397.317 1.849 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000558479015 531564045 /nfs/dbraw/zinc/56/40/45/531564045.db2.gz GJEUOSFTJUMEFG-HNNXBMFYSA-N 1 0 391.559 1.005 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)NCC1CC[NH2+]CC1 ZINC000583074356 531564453 /nfs/dbraw/zinc/56/44/53/531564453.db2.gz IKWOBUCXUUZPET-UHFFFAOYSA-N 1 0 386.265 1.363 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000583142764 531565102 /nfs/dbraw/zinc/56/51/02/531565102.db2.gz KNQBAFMPWGBGSE-QWHCGFSZSA-N 1 0 395.497 1.185 20 0 GDADRO CC(=O)NCCN(Cc1ccc(C)s1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416040012 531554143 /nfs/dbraw/zinc/55/41/43/531554143.db2.gz HDPDEPYUVGLRJM-ZDUSSCGKSA-N 1 0 380.436 1.984 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)CCN2C1=O ZINC000583333985 531572455 /nfs/dbraw/zinc/57/24/55/531572455.db2.gz QAHDDCKSZNSTFE-BNOWGMLFSA-N 1 0 380.901 1.830 20 0 GDADRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000493572781 531576955 /nfs/dbraw/zinc/57/69/55/531576955.db2.gz MILISOAQFMYNMG-HIFRSBDPSA-N 1 0 375.878 1.067 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000583489579 531578529 /nfs/dbraw/zinc/57/85/29/531578529.db2.gz NJDBXBCKLUJCOJ-IXDOHACOSA-N 1 0 393.329 1.994 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)c2c(c1)OCCO2 ZINC000295440449 531578820 /nfs/dbraw/zinc/57/88/20/531578820.db2.gz LHQLAOHQHHGMGK-ZDUSSCGKSA-N 1 0 399.285 1.797 20 0 GDADRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268880045 531580438 /nfs/dbraw/zinc/58/04/38/531580438.db2.gz ASUBVLCWJBFAOC-RHSMWYFYSA-N 1 0 386.539 1.226 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000583498651 531580651 /nfs/dbraw/zinc/58/06/51/531580651.db2.gz HHZBEIZKSPIZSX-QWRGUYRKSA-N 1 0 379.935 1.608 20 0 GDADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000268870159 531581192 /nfs/dbraw/zinc/58/11/92/531581192.db2.gz CXTWDZYPTDZRQR-CZUORRHYSA-N 1 0 389.543 1.523 20 0 GDADRO C[N@@H+]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1(C)C ZINC000556083964 531588892 /nfs/dbraw/zinc/58/88/92/531588892.db2.gz SBSCUNGOSHLBQO-UHFFFAOYSA-N 1 0 397.317 1.530 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CC12CCSCC2 ZINC000583805487 531596038 /nfs/dbraw/zinc/59/60/38/531596038.db2.gz OSMFPDMFMGJACA-HNNXBMFYSA-N 1 0 386.587 1.873 20 0 GDADRO C[C@]1(CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CCC[NH2+]C1 ZINC000583806963 531595518 /nfs/dbraw/zinc/59/55/18/531595518.db2.gz FAAZQPWZFTURRC-KRWDZBQOSA-N 1 0 394.269 1.551 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1sccc1Br ZINC000281241725 531597297 /nfs/dbraw/zinc/59/72/97/531597297.db2.gz LTHCHUUFBJJGGW-UHFFFAOYSA-N 1 0 390.347 1.733 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)cc1 ZINC000281241884 531597460 /nfs/dbraw/zinc/59/74/60/531597460.db2.gz VGQUCFQFGFEDLL-CQSZACIVSA-N 1 0 388.555 1.945 20 0 GDADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc(F)c(F)cc1Br ZINC000583821918 531596881 /nfs/dbraw/zinc/59/68/81/531596881.db2.gz XBRYGJINTUJZRJ-HNNXBMFYSA-N 1 0 375.213 1.914 20 0 GDADRO CSCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000269034826 531602420 /nfs/dbraw/zinc/60/24/20/531602420.db2.gz AANQESLMBLPHJH-AWEZNQCLSA-N 1 0 391.946 1.253 20 0 GDADRO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000614747065 531602737 /nfs/dbraw/zinc/60/27/37/531602737.db2.gz QTXVOFLTSIHAPN-OCCSQVGLSA-N 1 0 375.922 1.429 20 0 GDADRO Cc1cc(C)c(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1I ZINC000281293424 531602106 /nfs/dbraw/zinc/60/21/06/531602106.db2.gz STPJDODZZGVCFT-HNNXBMFYSA-N 1 0 390.265 1.950 20 0 GDADRO O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660093128 531604542 /nfs/dbraw/zinc/60/45/42/531604542.db2.gz WGNQWPXSJXCZGV-HNFVBEJKSA-N 1 0 384.464 1.968 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CSc2ccc(Br)cc21 ZINC000637099415 531604234 /nfs/dbraw/zinc/60/42/34/531604234.db2.gz PAEZGVLCGJLEEG-YPMHNXCESA-N 1 0 386.315 1.962 20 0 GDADRO CCCN(C)CC(C)(C)NS(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000660107883 531606435 /nfs/dbraw/zinc/60/64/35/531606435.db2.gz RSMSSHUGIYGWID-UHFFFAOYSA-N 1 0 376.544 1.879 20 0 GDADRO C[C@H](CCNS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)[NH+]1CCCCC1 ZINC000451395197 531607355 /nfs/dbraw/zinc/60/73/55/531607355.db2.gz PWFSNLWYIRJFPA-OAHLLOKOSA-N 1 0 388.555 1.774 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000416429240 531612357 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CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000296572714 531704803 /nfs/dbraw/zinc/70/48/03/531704803.db2.gz TTZWJAPGWJNSFH-GXTWGEPZSA-N 1 0 377.532 1.427 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000662986657 531705147 /nfs/dbraw/zinc/70/51/47/531705147.db2.gz HNAXQNQJTPGAER-DOMZBBRYSA-N 1 0 382.302 1.993 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)[C@H](C[NH3+])C1 ZINC000662984464 531705654 /nfs/dbraw/zinc/70/56/54/531705654.db2.gz RWTOPVKCEUYBAL-ZJUUUORDSA-N 1 0 378.420 1.706 20 0 GDADRO COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000619476237 531706371 /nfs/dbraw/zinc/70/63/71/531706371.db2.gz UOFRPUKGPPMGMU-GJZGRUSLSA-N 1 0 390.571 1.609 20 0 GDADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000451895193 531708141 /nfs/dbraw/zinc/70/81/41/531708141.db2.gz SSQZIJBMSUAUKO-UHFFFAOYSA-N 1 0 386.909 1.919 20 0 GDADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664526321 531724160 /nfs/dbraw/zinc/72/41/60/531724160.db2.gz DHTGFXSLVQSQOT-LKTVYLICSA-N 1 0 388.281 1.836 20 0 GDADRO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)S(N)(=O)=O ZINC000663459268 531714315 /nfs/dbraw/zinc/71/43/15/531714315.db2.gz RNRSBKMSZYBTHU-WFASDCNBSA-N 1 0 388.921 1.453 20 0 GDADRO O=C(NCCN1CCSCC1)C(=O)NC[C@H]1SCCc2ccccc21 ZINC000561611269 531714904 /nfs/dbraw/zinc/71/49/04/531714904.db2.gz VVCVCBREGODPPQ-MRXNPFEDSA-N 1 0 379.551 1.298 20 0 GDADRO O=C(COc1ccc(Br)cc1Cl)N1CCOC2(C[NH2+]C2)C1 ZINC000663484567 531714993 /nfs/dbraw/zinc/71/49/93/531714993.db2.gz ZCZNYJUAGJYJCG-UHFFFAOYSA-N 1 0 375.650 1.682 20 0 GDADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000269692510 531715738 /nfs/dbraw/zinc/71/57/38/531715738.db2.gz IUCNZUQOFWIZHF-CYBMUJFWSA-N 1 0 390.889 1.252 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640298421 531732111 /nfs/dbraw/zinc/73/21/11/531732111.db2.gz NMULAZDSTLFKOB-UHFFFAOYSA-N 1 0 384.834 2.104 20 0 GDADRO C[C@@]1(NC(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC[NH2+]C1 ZINC000663613553 531716991 /nfs/dbraw/zinc/71/69/91/531716991.db2.gz HBTQUZLRJPVTOV-QGZVFWFLSA-N 1 0 382.917 1.700 20 0 GDADRO CSC[C@@H](C)NC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000505494051 531720256 /nfs/dbraw/zinc/72/02/56/531720256.db2.gz HDBHJZXXJCLHSH-QFWMXSHPSA-N 1 0 381.464 1.776 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)s1 ZINC000269715184 531722390 /nfs/dbraw/zinc/72/23/90/531722390.db2.gz AOFSXFAEEPIXEK-UHFFFAOYSA-N 1 0 376.500 1.002 20 0 GDADRO C[C@@H](CCNC(=O)NCCNC(=O)c1ccc(Br)cn1)[NH+](C)C ZINC000665559765 531738770 /nfs/dbraw/zinc/73/87/70/531738770.db2.gz OUZOUERROJXLTH-NSHDSACASA-N 1 0 386.294 1.213 20 0 GDADRO CCN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000366356586 531739923 /nfs/dbraw/zinc/73/99/23/531739923.db2.gz UOFHJIVSUBATQF-YNEHKIRRSA-N 1 0 384.464 1.931 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2nn(C)cc2Br)CC1 ZINC000640316042 531741662 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GDADRO O=C(NCCc1ccc(Br)s1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000416917855 531746276 /nfs/dbraw/zinc/74/62/76/531746276.db2.gz JJZGDNVJKFPYOU-LBPRGKRZSA-N 1 0 387.347 1.742 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000416945840 531747305 /nfs/dbraw/zinc/74/73/05/531747305.db2.gz HVFKLQNQNQXCQR-GFCCVEGCSA-N 1 0 388.921 1.387 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000562060289 531733357 /nfs/dbraw/zinc/73/33/57/531733357.db2.gz FHXIXQHLTQWGBU-CQSZACIVSA-N 1 0 391.559 1.382 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000296867657 531733708 /nfs/dbraw/zinc/73/37/08/531733708.db2.gz GYGPHGFQFVAMEO-BBRMVZONSA-N 1 0 385.302 1.909 20 0 GDADRO O=C(NCc1cc(Br)ccc1F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417078494 531752515 /nfs/dbraw/zinc/75/25/15/531752515.db2.gz YSNKENSAWXKZSB-AWEZNQCLSA-N 1 0 385.281 1.777 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)C1 ZINC000640566503 531754885 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C[C@@H]1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000417210611 531758197 /nfs/dbraw/zinc/75/81/97/531758197.db2.gz RCNFZYDXCIZCJE-TZMCWYRMSA-N 1 0 397.317 1.805 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCc2cccc(Br)c2)C1 ZINC000417356871 531766564 /nfs/dbraw/zinc/76/65/64/531766564.db2.gz QKYCIMVSMORKBJ-ZDUSSCGKSA-N 1 0 383.290 1.446 20 0 GDADRO CO[C@@H]1CCN(C(=O)NCCOc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000417208340 531758650 /nfs/dbraw/zinc/75/86/50/531758650.db2.gz OPXBPYREZKLXAK-UONOGXRCSA-N 1 0 386.290 1.976 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000640725956 531758970 /nfs/dbraw/zinc/75/89/70/531758970.db2.gz JFHQSZIXSKBXNA-HNNXBMFYSA-N 1 0 393.285 1.551 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417205581 531759262 /nfs/dbraw/zinc/75/92/62/531759262.db2.gz IIILLQOXUARNLL-VXGBXAGGSA-N 1 0 383.290 1.558 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cn4cc(Br)ccc4n3)C[C@H]12 ZINC000417208259 531759286 /nfs/dbraw/zinc/75/92/86/531759286.db2.gz BMWGKXQIOBJZMX-LEWSCRJBSA-N 1 0 378.274 1.976 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCC(F)(F)c2ccc(Br)cc2)CCC1 ZINC000621846611 531760567 /nfs/dbraw/zinc/76/05/67/531760567.db2.gz GFBCXMHADVQTJQ-UHFFFAOYSA-N 1 0 390.228 1.655 20 0 GDADRO [NH3+][C@@H](c1cn(CC(=O)Nc2ccc(Br)cc2F)nn1)[C@H]1CCCO1 ZINC000640759562 531760692 /nfs/dbraw/zinc/76/06/92/531760692.db2.gz WKFZNGVBVHKBDE-HIFRSBDPSA-N 1 0 398.236 1.997 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621847057 531760896 /nfs/dbraw/zinc/76/08/96/531760896.db2.gz QPHQZVAOBDSSOH-UHFFFAOYSA-N 1 0 378.217 1.511 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417215233 531761242 /nfs/dbraw/zinc/76/12/42/531761242.db2.gz WPKRDBBJEDOACV-UHFFFAOYSA-N 1 0 385.306 1.996 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3c(Cl)cnn3C)CC2)CC1 ZINC000366588638 531761604 /nfs/dbraw/zinc/76/16/04/531761604.db2.gz ZTGWHMFDZKFKMP-UHFFFAOYSA-N 1 0 389.953 1.253 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000269795802 531761593 /nfs/dbraw/zinc/76/15/93/531761593.db2.gz KPJADWPJQUMVQX-UHFFFAOYSA-N 1 0 392.319 1.358 20 0 GDADRO O=C(NCc1cn2cc(Br)ccc2n1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417227433 531761638 /nfs/dbraw/zinc/76/16/38/531761638.db2.gz VJGLMZJOMXQINZ-NSHDSACASA-N 1 0 388.216 1.893 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc(Br)c[nH]c1=O ZINC000621927062 531762219 /nfs/dbraw/zinc/76/22/19/531762219.db2.gz CKDFRHJNRYBOCM-BNOWGMLFSA-N 1 0 384.274 1.873 20 0 GDADRO O=C(Cn1cc(CCN2CC[NH2+]CC2)nn1)Nc1ccccc1Br ZINC000640770842 531762368 /nfs/dbraw/zinc/76/23/68/531762368.db2.gz VUMYWORMQZXIKM-UHFFFAOYSA-N 1 0 393.289 1.127 20 0 GDADRO [NH3+]CCN(CCO)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417263860 531762706 /nfs/dbraw/zinc/76/27/06/531762706.db2.gz QZHDTHFGDRZGJA-ZDUSSCGKSA-N 1 0 385.306 1.238 20 0 GDADRO [NH3+]Cc1cnn(Cc2cn(CCOc3ccc(Br)cc3)nn2)c1 ZINC000640789792 531763426 /nfs/dbraw/zinc/76/34/26/531763426.db2.gz FDOQHRXIZCDSGJ-UHFFFAOYSA-N 1 0 377.246 1.823 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 ZINC000452103235 531763704 /nfs/dbraw/zinc/76/37/04/531763704.db2.gz JVZDZZUGEATRNM-CYBMUJFWSA-N 1 0 393.506 1.300 20 0 GDADRO CO[C@H]1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000417058919 531750977 /nfs/dbraw/zinc/75/09/77/531750977.db2.gz HECJPKUAGWVWKH-RYUDHWBXSA-N 1 0 376.288 1.948 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1Cl ZINC000269772167 531751661 /nfs/dbraw/zinc/75/16/61/531751661.db2.gz QAAHBKBASUMWLX-AWEZNQCLSA-N 1 0 381.857 1.028 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H](C[NH3+])C2)s1 ZINC000562795400 531780257 /nfs/dbraw/zinc/78/02/57/531780257.db2.gz JHTCFBPCPMQOIH-ZDUSSCGKSA-N 1 0 388.559 1.659 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000667398155 531780304 /nfs/dbraw/zinc/78/03/04/531780304.db2.gz NHUVTULILYUGJC-IINYFYTJSA-N 1 0 384.274 1.525 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000622575743 531781305 /nfs/dbraw/zinc/78/13/05/531781305.db2.gz RBHJAFUMAYDURW-CQSZACIVSA-N 1 0 387.571 1.794 20 0 GDADRO [NH3+]CCN(CCO)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000417572778 531781359 /nfs/dbraw/zinc/78/13/59/531781359.db2.gz PEYVSFFSKKZVEY-UHFFFAOYSA-N 1 0 389.327 1.920 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417579882 531781785 /nfs/dbraw/zinc/78/17/85/531781785.db2.gz BXAUQLFUBWQQQJ-UHFFFAOYSA-N 1 0 385.306 1.834 20 0 GDADRO CN(C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1)C1C[NH2+]C1 ZINC000667612534 531782238 /nfs/dbraw/zinc/78/22/38/531782238.db2.gz XVLYMHQSMXBYHJ-UHFFFAOYSA-N 1 0 380.164 1.837 20 0 GDADRO CCOC(=O)c1sc2ncc(S(=O)(=O)NCC[NH2+]C3CC3)cc2c1C ZINC000592367202 531782852 /nfs/dbraw/zinc/78/28/52/531782852.db2.gz YIGXXBVZNLLUIB-UHFFFAOYSA-N 1 0 383.495 1.812 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000640854136 531769226 /nfs/dbraw/zinc/76/92/26/531769226.db2.gz CIYURXPNNHBBJB-UHFFFAOYSA-N 1 0 382.921 1.099 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000269817667 531769855 /nfs/dbraw/zinc/76/98/55/531769855.db2.gz OGKATOCYIQXSJK-OLZOCXBDSA-N 1 0 390.527 1.482 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417443907 531772586 /nfs/dbraw/zinc/77/25/86/531772586.db2.gz YBDGWXVIFQUYAP-FZMZJTMJSA-N 1 0 383.290 1.606 20 0 GDADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000282572915 531772737 /nfs/dbraw/zinc/77/27/37/531772737.db2.gz PAKGCTJGHWSUIV-UHFFFAOYSA-N 1 0 384.893 1.625 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452356169 531773063 /nfs/dbraw/zinc/77/30/63/531773063.db2.gz ZQWGBUCAZYAUCA-HNNXBMFYSA-N 1 0 398.301 1.142 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000667262495 531773567 /nfs/dbraw/zinc/77/35/67/531773567.db2.gz FXOVRUJAUZZOHX-VIFPVBQESA-N 1 0 376.201 1.924 20 0 GDADRO Brc1ccccc1-n1nnnc1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641027090 531773799 /nfs/dbraw/zinc/77/37/99/531773799.db2.gz MRKWOPSUNQDZOM-NSHDSACASA-N 1 0 389.261 1.217 20 0 GDADRO C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000417452470 531774633 /nfs/dbraw/zinc/77/46/33/531774633.db2.gz CEARPHLTXMHWRA-MFKMUULPSA-N 1 0 378.445 1.280 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000667302461 531775471 /nfs/dbraw/zinc/77/54/71/531775471.db2.gz IZTJUWYSBSICRO-UHFFFAOYSA-N 1 0 389.905 1.576 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2CC[C@@H](C[NH3+])C2)s1 ZINC000417517453 531778137 /nfs/dbraw/zinc/77/81/37/531778137.db2.gz QGQUBHZBMFUTDZ-ZDUSSCGKSA-N 1 0 388.559 1.311 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N[C@@H](C)CCC[NH3+])s1 ZINC000417517431 531778549 /nfs/dbraw/zinc/77/85/49/531778549.db2.gz QCKYYCXXSCMGHJ-ZDUSSCGKSA-N 1 0 390.575 1.748 20 0 GDADRO O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1s[n-]c(=O)c1Cl ZINC000622339026 531778820 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O=C(Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)c1c[nH]c2ncc(Br)cc12 ZINC000641168292 531783754 /nfs/dbraw/zinc/78/37/54/531783754.db2.gz FJNLYDCSTSLZIA-JTQLQIEISA-N 1 0 389.257 1.952 20 0 GDADRO [NH3+][C@H](c1cn(C[C@H](O)COc2ccc(Br)cc2)nn1)[C@@H]1CCCO1 ZINC000641193490 531785504 /nfs/dbraw/zinc/78/55/04/531785504.db2.gz JLPDYDQAMPNVOO-VBNZEHGJSA-N 1 0 397.273 1.659 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000417800757 531786753 /nfs/dbraw/zinc/78/67/53/531786753.db2.gz VTSKTOHNTUAPEI-CHWSQXEVSA-N 1 0 388.559 1.500 20 0 GDADRO CCN(CC)S(=O)(=O)CC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000510366984 531787167 /nfs/dbraw/zinc/78/71/67/531787167.db2.gz KXJTVVUTPHSLDR-HNNXBMFYSA-N 1 0 375.560 1.919 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)CCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417803836 531787401 /nfs/dbraw/zinc/78/74/01/531787401.db2.gz FVPWWGYKMHGOKI-JTQLQIEISA-N 1 0 378.807 1.959 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000417800763 531787441 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GDADRO C[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000366908160 531791572 /nfs/dbraw/zinc/79/15/72/531791572.db2.gz CKAPKZBKWXCAGX-XJKSGUPXSA-N 1 0 385.917 1.659 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)CC[N@@H+]1C ZINC000623018954 531791555 /nfs/dbraw/zinc/79/15/55/531791555.db2.gz BCEIEKXDLKJWQF-JQWIXIFHSA-N 1 0 379.262 1.637 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000562972569 531792373 /nfs/dbraw/zinc/79/23/73/531792373.db2.gz IRFLIVOLUZSYDM-UHFFFAOYSA-N 1 0 395.261 1.066 20 0 GDADRO CN(C)S(=O)(=O)NCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000668147400 531793255 /nfs/dbraw/zinc/79/32/55/531793255.db2.gz HMODHLNQYNMQAL-UHFFFAOYSA-N 1 0 376.276 1.681 20 0 GDADRO CN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)C1=O ZINC000511590853 531793846 /nfs/dbraw/zinc/79/38/46/531793846.db2.gz CYQMJNJDHKRCFX-TZMCWYRMSA-N 1 0 375.238 1.490 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000562994316 531795469 /nfs/dbraw/zinc/79/54/69/531795469.db2.gz XIBDOTLLVGBRFQ-ZWNOBZJWSA-N 1 0 398.294 1.741 20 0 GDADRO C[C@@](CO)([NH2+]CCN1CCCS1(=O)=O)c1ccc(Br)cc1 ZINC000511603445 531795667 /nfs/dbraw/zinc/79/56/67/531795667.db2.gz HLDZIUHQUTWKIL-AWEZNQCLSA-N 1 0 377.304 1.282 20 0 GDADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623030615 531795944 /nfs/dbraw/zinc/79/59/44/531795944.db2.gz UYZDUURJCRLBKT-GFCCVEGCSA-N 1 0 393.289 1.887 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N[C@@H](C[NH3+])C3CC3)C2=O)ccc1Br ZINC000418010302 531796776 /nfs/dbraw/zinc/79/67/76/531796776.db2.gz JIIGPULDHXFIQV-CABCVRRESA-N 1 0 395.301 1.899 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N3CC[NH2+][C@@H](C)C3)C2=O)ccc1Br ZINC000418016500 531796988 /nfs/dbraw/zinc/79/69/88/531796988.db2.gz REWGNCCEDHIXAI-SWLSCSKDSA-N 1 0 395.301 1.866 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1ncc(Br)s1 ZINC000623068670 531797691 /nfs/dbraw/zinc/79/76/91/531797691.db2.gz GSQDTEYRKPRSLT-VIFPVBQESA-N 1 0 375.292 1.365 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000623066542 531798006 /nfs/dbraw/zinc/79/80/06/531798006.db2.gz JWOHNNVAQJEOOL-UHFFFAOYSA-N 1 0 382.262 1.462 20 0 GDADRO [O-]c1c(Br)cc(CN2C[C@H](CO)[C@H](O)C2)cc1Br ZINC000668235275 531798529 /nfs/dbraw/zinc/79/85/29/531798529.db2.gz HQJTWYRXQYNDRC-LDYMZIIASA-N 1 0 381.064 1.702 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)c3nc(C4CC4)ncc3Br)C[C@H]2[NH3+])cn1 ZINC000623072563 531798868 /nfs/dbraw/zinc/79/88/68/531798868.db2.gz GOTYOPVOTSNJCS-WCQYABFASA-N 1 0 391.273 1.417 20 0 GDADRO COCC[NH2+]CCNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418075833 531798946 /nfs/dbraw/zinc/79/89/46/531798946.db2.gz FQFBAHZUVBZWEO-ZDUSSCGKSA-N 1 0 389.283 1.634 20 0 GDADRO Cc1cccc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1Br ZINC000418055374 531799917 /nfs/dbraw/zinc/79/99/17/531799917.db2.gz IRBAXKOVXHATLC-HNNXBMFYSA-N 1 0 381.318 1.947 20 0 GDADRO COC[C@]1(CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CCC[NH2+]1 ZINC000418077388 531800357 /nfs/dbraw/zinc/80/03/57/531800357.db2.gz SQPPSTDWJTUSNH-MRXNPFEDSA-N 1 0 389.905 1.311 20 0 GDADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)ccn1 ZINC000641400847 531818258 /nfs/dbraw/zinc/81/82/58/531818258.db2.gz DSGVFDQLNYCFQW-CYBMUJFWSA-N 1 0 377.457 1.733 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000668688926 531803149 /nfs/dbraw/zinc/80/31/49/531803149.db2.gz QYNDOJRHXCADDD-NSHDSACASA-N 1 0 381.278 1.885 20 0 GDADRO Cc1cc(CNC(=O)NC[C@@H]2C[NH2+]CCO2)ccc1I ZINC000418142375 531804629 /nfs/dbraw/zinc/80/46/29/531804629.db2.gz NDIAOKGXVBODNY-LBPRGKRZSA-N 1 0 389.237 1.387 20 0 GDADRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000418149167 531804745 /nfs/dbraw/zinc/80/47/45/531804745.db2.gz ATPGYSVSXXBPRZ-MFKMUULPSA-N 1 0 392.884 1.136 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC000641402549 531818779 /nfs/dbraw/zinc/81/87/79/531818779.db2.gz LKFNVMAWEQZJRL-AEFFLSMTSA-N 1 0 376.563 1.812 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418150737 531804809 /nfs/dbraw/zinc/80/48/09/531804809.db2.gz RJMUGVQVPOJWMW-CYBMUJFWSA-N 1 0 390.937 1.825 20 0 GDADRO Cc1cc(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1I ZINC000418145437 531804979 /nfs/dbraw/zinc/80/49/79/531804979.db2.gz YBNJCLSEGHTHQW-BETUJISGSA-N 1 0 385.249 1.960 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000514784356 531805355 /nfs/dbraw/zinc/80/53/55/531805355.db2.gz HRQFUQBZDRZPTC-SWLSCSKDSA-N 1 0 398.276 1.676 20 0 GDADRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC[C@H]1[NH3+] ZINC000418149168 531805462 /nfs/dbraw/zinc/80/54/62/531805462.db2.gz ATPGYSVSXXBPRZ-ZWNOBZJWSA-N 1 0 392.884 1.136 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000367074570 531805685 /nfs/dbraw/zinc/80/56/85/531805685.db2.gz PRAODVLHSNNEBA-IUCAKERBSA-N 1 0 384.882 1.817 20 0 GDADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000563094963 531807600 /nfs/dbraw/zinc/80/76/00/531807600.db2.gz MCXMHMNVKZRXDD-BXUZGUMPSA-N 1 0 391.896 1.781 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418161497 531808709 /nfs/dbraw/zinc/80/87/09/531808709.db2.gz TVHZMQGTLJBQCR-NWDGAFQWSA-N 1 0 392.884 1.327 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](C[NH2+]C)C2)c1OC ZINC000563118399 531809503 /nfs/dbraw/zinc/80/95/03/531809503.db2.gz NJXURQHKSDNTPC-LLVKDONJSA-N 1 0 389.905 1.328 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1OC ZINC000563133976 531810931 /nfs/dbraw/zinc/81/09/31/531810931.db2.gz XUPWPBNHZDZTQI-GXSJLCMTSA-N 1 0 376.862 1.554 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000563130158 531811488 /nfs/dbraw/zinc/81/14/88/531811488.db2.gz UJRKPKSHRQIPDN-SNVBAGLBSA-N 1 0 382.711 1.284 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418173022 531811846 /nfs/dbraw/zinc/81/18/46/531811846.db2.gz XTCKBZJJBCNWLB-ZIAGYGMSSA-N 1 0 388.559 1.431 20 0 GDADRO COC1([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCOCC1 ZINC000453203930 531812363 /nfs/dbraw/zinc/81/23/63/531812363.db2.gz BESYHGUWGZVFSG-GFCCVEGCSA-N 1 0 394.896 1.931 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418170357 531812548 /nfs/dbraw/zinc/81/25/48/531812548.db2.gz SBKWIAWLDFLYQW-SNVBAGLBSA-N 1 0 397.328 1.426 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418173011 531812716 /nfs/dbraw/zinc/81/27/16/531812716.db2.gz XTCKBZJJBCNWLB-KBPBESRZSA-N 1 0 388.559 1.431 20 0 GDADRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453256258 531812878 /nfs/dbraw/zinc/81/28/78/531812878.db2.gz MRWXYDNLVIYYMN-YGRLFVJLSA-N 1 0 395.319 1.535 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC(=O)Nc1ccc(I)cc1 ZINC000418168388 531813326 /nfs/dbraw/zinc/81/33/26/531813326.db2.gz LUHJDHNPVMGISW-RKDXNWHRSA-N 1 0 390.225 1.265 20 0 GDADRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(F)c(I)c1 ZINC000453172887 531813652 /nfs/dbraw/zinc/81/36/52/531813652.db2.gz GUGWUQDUBMTADK-SNVBAGLBSA-N 1 0 392.212 1.940 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000453574381 531814248 /nfs/dbraw/zinc/81/42/48/531814248.db2.gz IYKJGPKUVVVBFS-OCCSQVGLSA-N 1 0 381.274 1.834 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453366282 531815104 /nfs/dbraw/zinc/81/51/04/531815104.db2.gz DCAXLLUEJOAMBP-TVQRCGJNSA-N 1 0 377.304 1.908 20 0 GDADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C(=O)NC1CC1 ZINC000453567250 531815323 /nfs/dbraw/zinc/81/53/23/531815323.db2.gz UVWCAMWPTFZXGD-LLVKDONJSA-N 1 0 395.301 1.807 20 0 GDADRO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453420026 531815518 /nfs/dbraw/zinc/81/55/18/531815518.db2.gz LGWQEUOLWXCYKW-CLAHSXSESA-N 1 0 380.297 1.960 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000297722337 531815614 /nfs/dbraw/zinc/81/56/14/531815614.db2.gz JLQJMDZDRXPPDX-UONOGXRCSA-N 1 0 382.555 1.560 20 0 GDADRO Cc1c(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc(Br)cc1S(N)(=O)=O ZINC000563170058 531815914 /nfs/dbraw/zinc/81/59/14/531815914.db2.gz NYPVNQBFROOFFL-JGVFFNPUSA-N 1 0 378.292 1.261 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000297722331 531816132 /nfs/dbraw/zinc/81/61/32/531816132.db2.gz JLQJMDZDRXPPDX-KBPBESRZSA-N 1 0 382.555 1.560 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)NC[C@H]1CCC[NH2+]C1 ZINC000418331376 531822195 /nfs/dbraw/zinc/82/21/95/531822195.db2.gz CJJLYNAATQOUMM-QWHCGFSZSA-N 1 0 386.290 1.488 20 0 GDADRO O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)NC[C@H]1CCC[NH2+]1 ZINC000418381785 531822776 /nfs/dbraw/zinc/82/27/76/531822776.db2.gz XYNRMLPNTLVZCU-SWLSCSKDSA-N 1 0 388.281 1.790 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C1CCCCC1 ZINC000418357969 531823861 /nfs/dbraw/zinc/82/38/61/531823861.db2.gz IDMZRSMQHNGVPJ-KGLIPLIRSA-N 1 0 389.543 1.090 20 0 GDADRO Nc1nc(NCC2(c3cccc(Br)c3)CCOCC2)nc(N)[nH+]1 ZINC000623877001 531826944 /nfs/dbraw/zinc/82/69/44/531826944.db2.gz NOFALKJZUMOVRT-UHFFFAOYSA-N 1 0 379.262 1.041 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418489500 531826966 /nfs/dbraw/zinc/82/69/66/531826966.db2.gz LVTWRJDDOIPHBH-JQWIXIFHSA-N 1 0 376.270 1.633 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000283082692 531827727 /nfs/dbraw/zinc/82/77/27/531827727.db2.gz HQALKXPHLMPFJF-IUODEOHRSA-N 1 0 390.253 1.634 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCSC[C@@H]3c3nccs3)C2)C1 ZINC000297854047 531827794 /nfs/dbraw/zinc/82/77/94/531827794.db2.gz SIYPJXZXJLNSFP-CXAGYDPISA-N 1 0 380.539 1.314 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000297854378 531827952 /nfs/dbraw/zinc/82/79/52/531827952.db2.gz NZLRKDHOKJCEQY-DOMZBBRYSA-N 1 0 397.317 1.299 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ncc1Br ZINC000453823749 531829777 /nfs/dbraw/zinc/82/97/77/531829777.db2.gz SHZNWQDJGJYYLT-LBPRGKRZSA-N 1 0 399.289 1.054 20 0 GDADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c(I)cn1 ZINC000453640097 531820940 /nfs/dbraw/zinc/82/09/40/531820940.db2.gz GNRNQQUJVPAPNM-UHFFFAOYSA-N 1 0 390.225 1.001 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2csc(I)c2)C1 ZINC000517402903 531821465 /nfs/dbraw/zinc/82/14/65/531821465.db2.gz JUZIWQCWHZHCJH-SNVBAGLBSA-N 1 0 380.251 1.803 20 0 GDADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000418323326 531821349 /nfs/dbraw/zinc/82/13/49/531821349.db2.gz UNKYIZBRBZEZKU-GJZGRUSLSA-N 1 0 384.318 1.899 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H](O)COc1ccccc1Br ZINC000418329810 531821699 /nfs/dbraw/zinc/82/16/99/531821699.db2.gz BLWBNUJZPDQBFH-QWHCGFSZSA-N 1 0 386.290 1.488 20 0 GDADRO C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1)[C@H](C)[NH3+] ZINC000418688911 531834427 /nfs/dbraw/zinc/83/44/27/531834427.db2.gz BIKYJVOGBWBLSI-WDEREUQCSA-N 1 0 398.305 1.940 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000418713290 531834672 /nfs/dbraw/zinc/83/46/72/531834672.db2.gz WHEAEAJZSNLTIO-ZDUSSCGKSA-N 1 0 388.921 1.483 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)co1 ZINC000283169142 531835674 /nfs/dbraw/zinc/83/56/74/531835674.db2.gz JAPRZDXCXZBHOG-AWEZNQCLSA-N 1 0 385.873 1.874 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000418765933 531837956 /nfs/dbraw/zinc/83/79/56/531837956.db2.gz PKWFRRFOKXQYNR-ZDUSSCGKSA-N 1 0 375.300 1.401 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000418774941 531839848 /nfs/dbraw/zinc/83/98/48/531839848.db2.gz ZJLOHOWETGTQQV-GOEBONIOSA-N 1 0 381.318 1.852 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000418779991 531840030 /nfs/dbraw/zinc/84/00/30/531840030.db2.gz KFNMRXGNSLFCOJ-GHMZBOCLSA-N 1 0 384.274 1.270 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 ZINC000624119100 531831200 /nfs/dbraw/zinc/83/12/00/531831200.db2.gz XBHJEMWHUPOXIB-KRWDZBQOSA-N 1 0 387.933 1.559 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H](O)COc2ccccc2Br)C1 ZINC000418578183 531831857 /nfs/dbraw/zinc/83/18/57/531831857.db2.gz ZXMVSIGWNREJEA-UPJWGTAASA-N 1 0 386.290 1.758 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000367381737 531831822 /nfs/dbraw/zinc/83/18/22/531831822.db2.gz LXOQMBNZARCVLW-STQMWFEESA-N 1 0 377.869 1.119 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000563530452 531849307 /nfs/dbraw/zinc/84/93/07/531849307.db2.gz XJFNGJZMTBGRSM-WDEREUQCSA-N 1 0 389.315 1.970 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000418834651 531849543 /nfs/dbraw/zinc/84/95/43/531849543.db2.gz OXLTUZOBHMFVSH-SDJAHQOYSA-N 1 0 380.286 1.617 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000283308466 531850242 /nfs/dbraw/zinc/85/02/42/531850242.db2.gz HZDVTWGESHIIDI-DGCLKSJQSA-N 1 0 389.905 1.135 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418839574 531850475 /nfs/dbraw/zinc/85/04/75/531850475.db2.gz CVMSWSYVINLUHY-UHFFFAOYSA-N 1 0 381.274 1.315 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000418839568 531850556 /nfs/dbraw/zinc/85/05/56/531850556.db2.gz CUGYHQZMTXKQPW-GFCCVEGCSA-N 1 0 382.302 1.707 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N[C@H](C)CC[NH3+])ccc1I ZINC000418837772 531850702 /nfs/dbraw/zinc/85/07/02/531850702.db2.gz WYFWMSGBKPIJMA-SNVBAGLBSA-N 1 0 389.237 1.069 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000418838741 531850748 /nfs/dbraw/zinc/85/07/48/531850748.db2.gz BJVWXAJORBZPOY-LBPRGKRZSA-N 1 0 380.286 1.532 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418839649 531850824 /nfs/dbraw/zinc/85/08/24/531850824.db2.gz DARMOXRIXKMWBB-IUODEOHRSA-N 1 0 384.318 1.986 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000418851791 531854020 /nfs/dbraw/zinc/85/40/20/531854020.db2.gz SVLLYPWNSDMLKH-VXGBXAGGSA-N 1 0 386.265 1.491 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(F)c(Br)c2)CC[NH2+]1 ZINC000418849245 531854294 /nfs/dbraw/zinc/85/42/94/531854294.db2.gz OCHOWVBTWHFYGV-ZYHUDNBSSA-N 1 0 386.265 1.504 20 0 GDADRO COC(=O)c1coc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000367692433 531854665 /nfs/dbraw/zinc/85/46/65/531854665.db2.gz ZLDAGAPQSFNONA-LBPRGKRZSA-N 1 0 384.479 1.928 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000624389353 531840769 /nfs/dbraw/zinc/84/07/69/531840769.db2.gz XYOPPZHHZHLECH-UHFFFAOYSA-N 1 0 380.491 1.690 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)[C@H](C)C[NH2+]1 ZINC000418800503 531840738 /nfs/dbraw/zinc/84/07/38/531840738.db2.gz BOUILBYMNSAHOM-DSKWVYQCSA-N 1 0 398.276 1.769 20 0 GDADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000624390590 531840993 /nfs/dbraw/zinc/84/09/93/531840993.db2.gz DUOOVSHNEHIWAZ-JOYOIKCWSA-N 1 0 399.822 1.587 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000418786840 531841041 /nfs/dbraw/zinc/84/10/41/531841041.db2.gz SKXCRLOUCJFCBY-NWDGAFQWSA-N 1 0 398.301 1.578 20 0 GDADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624387323 531841309 /nfs/dbraw/zinc/84/13/09/531841309.db2.gz LSNFNJQZTRJISY-UHFFFAOYSA-N 1 0 381.267 1.683 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418807697 531842131 /nfs/dbraw/zinc/84/21/31/531842131.db2.gz JWDBOMSBUFFEAO-IFUGULHKSA-N 1 0 398.276 1.676 20 0 GDADRO C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)C[NH2+]1 ZINC000624405206 531842405 /nfs/dbraw/zinc/84/24/05/531842405.db2.gz FUVLFGGNCBUNOT-SKDRFNHKSA-N 1 0 375.288 1.803 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418801369 531842670 /nfs/dbraw/zinc/84/26/70/531842670.db2.gz COZOAURGIJXAHG-SLEUVZQESA-N 1 0 398.276 1.900 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000624407196 531844271 /nfs/dbraw/zinc/84/42/71/531844271.db2.gz VLJLGKXJDAIPTR-KGLIPLIRSA-N 1 0 389.543 1.136 20 0 GDADRO C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C[NH2+]1 ZINC000624406560 531844792 /nfs/dbraw/zinc/84/47/92/531844792.db2.gz GDBIGRCXVSVXKA-PWSUYJOCSA-N 1 0 379.404 1.398 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418814887 531845021 /nfs/dbraw/zinc/84/50/21/531845021.db2.gz WETYHNAPPHBZSE-NURSFMCSSA-N 1 0 384.249 1.381 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000641625787 531845315 /nfs/dbraw/zinc/84/53/15/531845315.db2.gz XIPRKZJDCYMTQD-YOEHRIQHSA-N 1 0 388.555 1.831 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418818175 531845778 /nfs/dbraw/zinc/84/57/78/531845778.db2.gz BKSWQPMXGWTHHE-DLOVCJGASA-N 1 0 386.265 1.661 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc(F)cc3Br)C[C@@H]12 ZINC000418816510 531845966 /nfs/dbraw/zinc/84/59/66/531845966.db2.gz LWSDXDBUYSJXQU-ZKYQVNSYSA-N 1 0 384.249 1.400 20 0 GDADRO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418821586 531846409 /nfs/dbraw/zinc/84/64/09/531846409.db2.gz GSNWKLWLFZARJY-JHJVBQTASA-N 1 0 398.276 1.819 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000418932511 531866361 /nfs/dbraw/zinc/86/63/61/531866361.db2.gz HNHBOQIMBVYUOC-OAHLLOKOSA-N 1 0 394.313 1.937 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000595123084 531867127 /nfs/dbraw/zinc/86/71/27/531867127.db2.gz QUFIDBGEGYNZQK-VXGBXAGGSA-N 1 0 395.250 1.296 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000418936720 531867979 /nfs/dbraw/zinc/86/79/79/531867979.db2.gz MWPBNDRECDISCC-MNOVXSKESA-N 1 0 388.331 1.899 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000418945121 531869016 /nfs/dbraw/zinc/86/90/16/531869016.db2.gz MLJDBWNSIJVIFA-AWEZNQCLSA-N 1 0 386.265 1.805 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000563609934 531855866 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1.884 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000642335290 531858402 /nfs/dbraw/zinc/85/84/02/531858402.db2.gz ZCYMAKILOAZDCE-UHFFFAOYSA-N 1 0 390.347 1.755 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418881168 531860118 /nfs/dbraw/zinc/86/01/18/531860118.db2.gz GVNIRDIIGRSHFC-VXGBXAGGSA-N 1 0 388.237 1.237 20 0 GDADRO O=C(NCCc1ccc(Br)s1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642506531 531860302 /nfs/dbraw/zinc/86/03/02/531860302.db2.gz UWTSDYSGISYDGH-JQWIXIFHSA-N 1 0 386.315 1.380 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000283415346 531861518 /nfs/dbraw/zinc/86/15/18/531861518.db2.gz XHXYCYHEHCAQNP-UHFFFAOYSA-N 1 0 392.681 1.735 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000418920822 531863795 /nfs/dbraw/zinc/86/37/95/531863795.db2.gz CEBWUQZMMDRUMV-NSHDSACASA-N 1 0 386.265 1.662 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c(Br)c1 ZINC000367785125 531864042 /nfs/dbraw/zinc/86/40/42/531864042.db2.gz WAHHINAPQKLCJM-UWVGGRQHSA-N 1 0 395.250 1.214 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000418930784 531865134 /nfs/dbraw/zinc/86/51/34/531865134.db2.gz DXQIKLHFXNAVRU-CQSZACIVSA-N 1 0 380.286 1.547 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000367791682 531865189 /nfs/dbraw/zinc/86/51/89/531865189.db2.gz JOJFEEYSLQFWJZ-HONMWMINSA-N 1 0 377.869 1.746 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc(I)c2)CC[C@H]1F ZINC000595241800 531871773 /nfs/dbraw/zinc/87/17/73/531871773.db2.gz JFWGNSJIOXNAFD-GHMZBOCLSA-N 1 0 391.184 1.127 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C[NH2+]CC)CC2)cc1 ZINC000564959666 531871833 /nfs/dbraw/zinc/87/18/33/531871833.db2.gz BWTBZSVLNXFKCE-UHFFFAOYSA-N 1 0 388.555 1.881 20 0 GDADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])c1 ZINC000564970325 531872987 /nfs/dbraw/zinc/87/29/87/531872987.db2.gz VWTKSUYUNJSREZ-NEPJUHHUSA-N 1 0 382.404 1.841 20 0 GDADRO O=C(C[C@H]1COCC[NH2+]1)NCc1cc(Cl)ccc1I ZINC000595255587 531873017 /nfs/dbraw/zinc/87/30/17/531873017.db2.gz FWFVXDVZXGVRNS-NSHDSACASA-N 1 0 394.640 1.939 20 0 GDADRO O[C@H](C[NH2+]C[C@@H](O)[C@H]1CCOC1)COc1cc(F)cc(Br)c1 ZINC000564975734 531873031 /nfs/dbraw/zinc/87/30/31/531873031.db2.gz OHPAIRSTIQAOBJ-PSOPSSQASA-N 1 0 378.238 1.315 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418964600 531874057 /nfs/dbraw/zinc/87/40/57/531874057.db2.gz JZBYMGRIVUHSKE-JTQLQIEISA-N 1 0 383.279 1.954 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@H](C)[NH2+]1 ZINC000418974215 531874090 /nfs/dbraw/zinc/87/40/90/531874090.db2.gz PEEKYWVRYILZDU-UWVGGRQHSA-N 1 0 394.273 1.150 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418967883 531874405 /nfs/dbraw/zinc/87/44/05/531874405.db2.gz GOTVRFUOUOFDRE-SNVBAGLBSA-N 1 0 394.273 1.010 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455627232 531874811 /nfs/dbraw/zinc/87/48/11/531874811.db2.gz PBRUQGDKRXDEAU-UHFFFAOYSA-N 1 0 396.289 2.071 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000418990926 531876135 /nfs/dbraw/zinc/87/61/35/531876135.db2.gz MCPKFAFTDFLODF-TZMCWYRMSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000418991768 531877275 /nfs/dbraw/zinc/87/72/75/531877275.db2.gz NBQRQFKXVIFFLD-OCCSQVGLSA-N 1 0 382.302 1.551 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000283602178 531878611 /nfs/dbraw/zinc/87/86/11/531878611.db2.gz TZFZVIJXWSVKSI-UHFFFAOYSA-N 1 0 381.876 1.876 20 0 GDADRO COc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)nc1I ZINC000270490370 531878719 /nfs/dbraw/zinc/87/87/19/531878719.db2.gz KPJQNTZRESOGNR-VIFPVBQESA-N 1 0 389.237 1.907 20 0 GDADRO C[C@@H](C[NH2+]CCCNC(=O)c1cccc(Br)c1)S(C)(=O)=O ZINC000566108972 531879690 /nfs/dbraw/zinc/87/96/90/531879690.db2.gz HSGIGMMHDDFEDF-NSHDSACASA-N 1 0 377.304 1.592 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1Br ZINC000419012873 531879881 /nfs/dbraw/zinc/87/98/81/531879881.db2.gz XOHPREMSVUPTBG-NRUUGDAUSA-N 1 0 384.274 1.441 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1Br ZINC000419010773 531880307 /nfs/dbraw/zinc/88/03/07/531880307.db2.gz QUIZWBLGFYZPCS-YPMHNXCESA-N 1 0 398.301 1.975 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1Cl ZINC000645584755 531881326 /nfs/dbraw/zinc/88/13/26/531881326.db2.gz SEBNXOQLGOPFBF-UHFFFAOYSA-N 1 0 391.921 1.865 20 0 GDADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)CCCC2CCOCC2)CC1 ZINC000645582976 531881363 /nfs/dbraw/zinc/88/13/63/531881363.db2.gz FKIVZIHSYXNURW-UHFFFAOYSA-N 1 0 376.563 1.956 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)c1F ZINC000595412883 531881531 /nfs/dbraw/zinc/88/15/31/531881531.db2.gz NVBYHWCHSROQRE-LBPRGKRZSA-N 1 0 378.853 1.884 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419019017 531882124 /nfs/dbraw/zinc/88/21/24/531882124.db2.gz IRWLKEQKZHNLJI-OCCSQVGLSA-N 1 0 382.302 1.694 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419026027 531882866 /nfs/dbraw/zinc/88/28/66/531882866.db2.gz SXMIXYTZXPHGTP-FZMZJTMJSA-N 1 0 396.285 1.505 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000368006924 531883325 /nfs/dbraw/zinc/88/33/25/531883325.db2.gz OYDQLBHFLUJDDP-KBPBESRZSA-N 1 0 385.258 1.630 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418942076 531869536 /nfs/dbraw/zinc/86/95/36/531869536.db2.gz WGWAPUPFHZAREZ-GFCCVEGCSA-N 1 0 382.302 1.841 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000419051466 531892426 /nfs/dbraw/zinc/89/24/26/531892426.db2.gz FSOUWGRRCMWVTM-NOZJJQNGSA-N 1 0 387.267 1.021 20 0 GDADRO C[S@](=O)Cc1cc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)ccc1Cl ZINC000566732426 531892675 /nfs/dbraw/zinc/89/26/75/531892675.db2.gz OPAGQZQMBVWZMI-CANCMXDXSA-N 1 0 381.889 1.987 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419053399 531892826 /nfs/dbraw/zinc/89/28/26/531892826.db2.gz JVGIHIHAEZXJAV-DZGCQCFKSA-N 1 0 382.302 1.740 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419052819 531892864 /nfs/dbraw/zinc/89/28/64/531892864.db2.gz ILNSERUYQCYIEJ-GFCCVEGCSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCSC[C@H]1c1nccs1)C[NH+]1CCCC1 ZINC000283780170 531893657 /nfs/dbraw/zinc/89/36/57/531893657.db2.gz CMHAQRIIWLBACH-KBPBESRZSA-N 1 0 382.555 1.608 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419054390 531894304 /nfs/dbraw/zinc/89/43/04/531894304.db2.gz LXERWLGEYMTSIG-AWEZNQCLSA-N 1 0 382.302 1.836 20 0 GDADRO NC(=O)[C@@H]1CCCN1CCCNS(=O)(=O)Cc1cc(F)ccc1Cl ZINC000625378842 531894434 /nfs/dbraw/zinc/89/44/34/531894434.db2.gz UPNLPQQVZAYNIS-AWEZNQCLSA-N 1 0 377.869 1.238 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000674361543 531895889 /nfs/dbraw/zinc/89/58/89/531895889.db2.gz OOOKUVJCQJQNBL-AWEZNQCLSA-N 1 0 387.933 1.999 20 0 GDADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707902 531896203 /nfs/dbraw/zinc/89/62/03/531896203.db2.gz GACLQZREADISHP-UONOGXRCSA-N 1 0 383.279 1.851 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000419064530 531896522 /nfs/dbraw/zinc/89/65/22/531896522.db2.gz ICKYNLNMZOOGFP-QWHCGFSZSA-N 1 0 382.302 1.960 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000419064531 531896729 /nfs/dbraw/zinc/89/67/29/531896729.db2.gz ICKYNLNMZOOGFP-STQMWFEESA-N 1 0 382.302 1.960 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000647710754 531896742 /nfs/dbraw/zinc/89/67/42/531896742.db2.gz NJNJFTVOMZZNRK-ZDUSSCGKSA-N 1 0 381.274 1.596 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000270584207 531898267 /nfs/dbraw/zinc/89/82/67/531898267.db2.gz GLUGZJKBJJBLFS-ZDUSSCGKSA-N 1 0 380.495 1.357 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419037181 531885502 /nfs/dbraw/zinc/88/55/02/531885502.db2.gz HSJUPUWWPJUHBL-LERXQTSPSA-N 1 0 396.285 1.503 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000419036927 531885624 /nfs/dbraw/zinc/88/56/24/531885624.db2.gz CBWBOMLRIJTEEK-JOYOIKCWSA-N 1 0 375.803 1.801 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419037632 531885853 /nfs/dbraw/zinc/88/58/53/531885853.db2.gz IVAUDHWSIRWQSH-FZMZJTMJSA-N 1 0 396.285 1.729 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000419039008 531885864 /nfs/dbraw/zinc/88/58/64/531885864.db2.gz GOXHJBWJHIRBOD-UHFFFAOYSA-N 1 0 396.289 1.137 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C[C@H](C)[NH2+]1 ZINC000419040484 531886968 /nfs/dbraw/zinc/88/69/68/531886968.db2.gz MMSAGPLKSQIFJX-UHIISALHSA-N 1 0 396.285 1.598 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000419041782 531886983 /nfs/dbraw/zinc/88/69/83/531886983.db2.gz KLPGFHLRTLAJQB-AEJSXWLSSA-N 1 0 378.420 1.973 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419040730 531887106 /nfs/dbraw/zinc/88/71/06/531887106.db2.gz JCTJLZBXHURUIW-VHSXEESVSA-N 1 0 375.803 1.753 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419041989 531887518 /nfs/dbraw/zinc/88/75/18/531887518.db2.gz OMXQTPZYRLCGSM-ZDUSSCGKSA-N 1 0 398.301 1.832 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419046424 531889686 /nfs/dbraw/zinc/88/96/86/531889686.db2.gz YBLSTLFKPYZNBJ-ZDUSSCGKSA-N 1 0 384.274 1.457 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419153145 531905461 /nfs/dbraw/zinc/90/54/61/531905461.db2.gz ONBUMMSPQSJYQK-UHFFFAOYSA-N 1 0 398.301 1.456 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000568487220 531908264 /nfs/dbraw/zinc/90/82/64/531908264.db2.gz LGPOTMMCRZEAEL-GFCCVEGCSA-N 1 0 384.271 1.599 20 0 GDADRO Cc1nc2cc(Br)cc(NC(=O)NC[C@H]3C[NH2+]CCN3C)c2o1 ZINC000568728695 531914231 /nfs/dbraw/zinc/91/42/31/531914231.db2.gz LWJZRSDNHCHOKZ-LLVKDONJSA-N 1 0 382.262 1.924 20 0 GDADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cnnn1C ZINC000456378473 531910031 /nfs/dbraw/zinc/91/00/31/531910031.db2.gz VCGCNKKOAXVKMA-NSHDSACASA-N 1 0 393.289 1.970 20 0 GDADRO CN(CC(=O)N[C@@H]1C[NH2+]CCC1(F)F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000568510402 531910088 /nfs/dbraw/zinc/91/00/88/531910088.db2.gz MCBTTWMNBXESHS-GFCCVEGCSA-N 1 0 381.832 1.074 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419185872 531910430 /nfs/dbraw/zinc/91/04/30/531910430.db2.gz PNGLVAFPBNQXNJ-YUSALJHKSA-N 1 0 386.315 1.631 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000419184083 531910601 /nfs/dbraw/zinc/91/06/01/531910601.db2.gz JEHQDYNSSPMZHG-LBPRGKRZSA-N 1 0 382.302 1.663 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)COc1ccccc1Br ZINC000270696483 531910799 /nfs/dbraw/zinc/91/07/99/531910799.db2.gz YDFNXFHRSJBVJR-ZDUSSCGKSA-N 1 0 384.274 1.284 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCc1ccccc1Br ZINC000419199311 531911654 /nfs/dbraw/zinc/91/16/54/531911654.db2.gz CWHFUXXSZKDNNN-HNNXBMFYSA-N 1 0 384.318 1.940 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419194160 531911916 /nfs/dbraw/zinc/91/19/16/531911916.db2.gz SFNFTBLMNHYJKU-SQWLQELKSA-N 1 0 394.313 1.612 20 0 GDADRO O=C(NCCc1ccccc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419199797 531911959 /nfs/dbraw/zinc/91/19/59/531911959.db2.gz CYTPNESNAVVBCE-RRFJBIMHSA-N 1 0 394.313 1.612 20 0 GDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1sccc1Br ZINC000675819738 531912671 /nfs/dbraw/zinc/91/26/71/531912671.db2.gz RYTNTUVHQUWNKV-NSHDSACASA-N 1 0 396.376 1.738 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CN1CCOCC1 ZINC000567605776 531899915 /nfs/dbraw/zinc/89/99/15/531899915.db2.gz DWMYEDYNBHBXBS-GOEBONIOSA-N 1 0 387.318 1.747 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000419103511 531900430 /nfs/dbraw/zinc/90/04/30/531900430.db2.gz RZCFJQQJQPTIDG-YGRLFVJLSA-N 1 0 386.279 1.592 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C(=O)OC)c1ccccc1Br ZINC000595969590 531900705 /nfs/dbraw/zinc/90/07/05/531900705.db2.gz FWVDIXMNIVIZIM-YPMHNXCESA-N 1 0 387.230 1.060 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)s2)C1 ZINC000419117858 531900964 /nfs/dbraw/zinc/90/09/64/531900964.db2.gz QNSPEUHYBYNZIN-LLVKDONJSA-N 1 0 388.331 1.757 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000419118201 531901414 /nfs/dbraw/zinc/90/14/14/531901414.db2.gz QRKGCRDIDMBRDA-SNVBAGLBSA-N 1 0 376.320 1.659 20 0 GDADRO C[NH+](C)[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C[C@@H]1O ZINC000647886530 531901707 /nfs/dbraw/zinc/90/17/07/531901707.db2.gz XBRVRZVYNUWROC-STQMWFEESA-N 1 0 397.722 1.539 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000419136691 531902297 /nfs/dbraw/zinc/90/22/97/531902297.db2.gz PLGMRFVBCAEVBR-ONGXEEELSA-N 1 0 388.693 1.914 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000283854734 531903032 /nfs/dbraw/zinc/90/30/32/531903032.db2.gz MOIHLQUJGUQCFA-UHFFFAOYSA-N 1 0 380.388 1.865 20 0 GDADRO CO[C@@H]1CCN(CCS(=O)(=O)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000647906989 531903292 /nfs/dbraw/zinc/90/32/92/531903292.db2.gz QFRHPZLAJYLHOE-ZIAGYGMSSA-N 1 0 391.331 1.661 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Br)cc1 ZINC000419148225 531903952 /nfs/dbraw/zinc/90/39/52/531903952.db2.gz JZFCZGSOEUBLHD-OBCWZRDOSA-N 1 0 380.286 1.822 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1Br ZINC000368313928 531904043 /nfs/dbraw/zinc/90/40/43/531904043.db2.gz XYSPDSFNLMRZTQ-GWCFXTLKSA-N 1 0 375.288 1.830 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419142356 531904571 /nfs/dbraw/zinc/90/45/71/531904571.db2.gz XVEUSLLLPDUNGM-BXUZGUMPSA-N 1 0 388.295 1.993 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCc1ccc(Br)cc1Cl ZINC000419139973 531904800 /nfs/dbraw/zinc/90/48/00/531904800.db2.gz VFTYOFIYOHHVQY-GFCCVEGCSA-N 1 0 388.693 1.977 20 0 GDADRO CSC[C@@H](O)C[NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000568754096 531917274 /nfs/dbraw/zinc/91/72/74/531917274.db2.gz BPZRLKIRKPDXPC-YOEHRIQHSA-N 1 0 386.583 1.929 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000419251944 531917730 /nfs/dbraw/zinc/91/77/30/531917730.db2.gz BNEDEIOZQVRFSD-BXUZGUMPSA-N 1 0 384.274 1.140 20 0 GDADRO CS[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)C[C@H]1[NH+](C)C ZINC000270764475 531918709 /nfs/dbraw/zinc/91/87/09/531918709.db2.gz PMJUACBUDQQWMU-MWLCHTKSSA-N 1 0 390.303 1.276 20 0 GDADRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1=O ZINC000569094870 531919005 /nfs/dbraw/zinc/91/90/05/531919005.db2.gz CLXJBVHVBJILQQ-UYHMYPTGSA-N 1 0 383.286 1.788 20 0 GDADRO CC1CC[NH+](CC(=O)NCc2nn(C)cc2I)CC1 ZINC000456514285 531919414 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NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1Br ZINC000419691425 531955750 /nfs/dbraw/zinc/95/57/50/531955750.db2.gz WHWSUOKSUZHINW-DGCLKSJQSA-N 1 0 377.304 1.737 20 0 GDADRO C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)Oc1cccc(Br)c1 ZINC000572346984 531964597 /nfs/dbraw/zinc/96/45/97/531964597.db2.gz KZYYXFIVCCDTGQ-SWLSCSKDSA-N 1 0 386.290 1.894 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000572347384 531965019 /nfs/dbraw/zinc/96/50/19/531965019.db2.gz MWHONXWHGFMVDX-CQSZACIVSA-N 1 0 386.327 1.777 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419764164 531966306 /nfs/dbraw/zinc/96/63/06/531966306.db2.gz VNKXYXSUJOAOFD-UHFFFAOYSA-N 1 0 384.210 1.937 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000419759369 531966354 /nfs/dbraw/zinc/96/63/54/531966354.db2.gz LZYYEJIJORWAMK-LLVKDONJSA-N 1 0 385.295 1.686 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419756162 531966467 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389.880 1.263 20 0 GDADRO COc1ccc(NC(C)=O)cc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000271112283 531967746 /nfs/dbraw/zinc/96/77/46/531967746.db2.gz QAEZMPNBVFDUBH-ZFWWWQNUSA-N 1 0 387.527 1.320 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000419784768 531968604 /nfs/dbraw/zinc/96/86/04/531968604.db2.gz VGKKQIWIQYGMQD-WCQYABFASA-N 1 0 398.301 1.845 20 0 GDADRO COCC[NH2+]CCNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000271110874 531968575 /nfs/dbraw/zinc/96/85/75/531968575.db2.gz HJJLYWMKINLOSJ-UHFFFAOYSA-N 1 0 391.921 1.335 20 0 GDADRO Cc1cc(NC(=O)CNC(=O)[C@@H](C)C[NH+]2CCOCC2)ccc1Br ZINC000271107017 531968675 /nfs/dbraw/zinc/96/86/75/531968675.db2.gz LKZQFRZIWNGHNK-ZDUSSCGKSA-N 1 0 398.301 1.781 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000419785102 531969012 /nfs/dbraw/zinc/96/90/12/531969012.db2.gz VQBQZGZLKHPXRE-MNOVXSKESA-N 1 0 386.290 1.607 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419781027 531969030 /nfs/dbraw/zinc/96/90/30/531969030.db2.gz PFNWYXXWOTYVQW-JTQLQIEISA-N 1 0 384.274 1.633 20 0 GDADRO C[NH+]1CCC(CCNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000271144752 531972530 /nfs/dbraw/zinc/97/25/30/531972530.db2.gz WCBYZHSGYYOWOE-UHFFFAOYSA-N 1 0 389.905 1.214 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419809028 531972918 /nfs/dbraw/zinc/97/29/18/531972918.db2.gz HAYDXVKXEAAOEO-IUODEOHRSA-N 1 0 396.329 1.957 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncsc2Br)CC1 ZINC000573004758 531973012 /nfs/dbraw/zinc/97/30/12/531973012.db2.gz QSCAJLFYYCIKNO-JTQLQIEISA-N 1 0 387.303 1.284 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000419826139 531974830 /nfs/dbraw/zinc/97/48/30/531974830.db2.gz QNVYNBJNSCAOQQ-XTBFLFJDSA-N 1 0 394.313 1.692 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000655711758 531975030 /nfs/dbraw/zinc/97/50/30/531975030.db2.gz ZWYFIMJYFADYHB-AWEZNQCLSA-N 1 0 388.559 1.459 20 0 GDADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCc1nnnn1C ZINC000655756414 531975123 /nfs/dbraw/zinc/97/51/23/531975123.db2.gz FGRUZVZMDFRCDE-UHFFFAOYSA-N 1 0 376.262 1.799 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000419840437 531976419 /nfs/dbraw/zinc/97/64/19/531976419.db2.gz IXDHMUCCOIXIQS-JSGCOSHPSA-N 1 0 381.274 1.376 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419844382 531976874 /nfs/dbraw/zinc/97/68/74/531976874.db2.gz OCAUGMUVYPBUMA-CABCVRRESA-N 1 0 380.286 1.981 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000419843024 531976988 /nfs/dbraw/zinc/97/69/88/531976988.db2.gz CNFXTBWQIVGQAS-LBPRGKRZSA-N 1 0 387.311 1.582 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)c2ncsc2Br)CC1 ZINC000573235252 531977984 /nfs/dbraw/zinc/97/79/84/531977984.db2.gz DTFMNDDFWSMANT-UHFFFAOYSA-N 1 0 375.336 1.909 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1I ZINC000573247676 531978616 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CC[NH2+]CCNC(=O)C(=O)N1Cc2cccc(Br)c2C[C@H]1CC ZINC000419863910 531979562 /nfs/dbraw/zinc/97/95/62/531979562.db2.gz DBPVLLVMKNCKBW-CYBMUJFWSA-N 1 0 382.302 1.838 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCc2cccc(Br)c2C1)[C@H]1CCC[NH2+]C1 ZINC000419886164 531980890 /nfs/dbraw/zinc/98/08/90/531980890.db2.gz KNQMHNLUDTUQNU-JSGCOSHPSA-N 1 0 394.313 1.838 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000419881339 531980958 /nfs/dbraw/zinc/98/09/58/531980958.db2.gz WCEQDKKBCQGMHW-UHFFFAOYSA-N 1 0 380.901 1.991 20 0 GDADRO CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000419886525 531982472 /nfs/dbraw/zinc/98/24/72/531982472.db2.gz PQFCHDHZURVPIW-YPMHNXCESA-N 1 0 382.258 1.209 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419891159 531982629 /nfs/dbraw/zinc/98/26/29/531982629.db2.gz UDPARDZOUFQWLQ-ZDUSSCGKSA-N 1 0 384.274 1.155 20 0 GDADRO O=C(NCCc1cccc(Br)c1)NCC1CC[NH+](CCO)CC1 ZINC000458372648 531983217 /nfs/dbraw/zinc/98/32/17/531983217.db2.gz HWVKHHKKCIXQLV-UHFFFAOYSA-N 1 0 384.318 1.995 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)Cc1csc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000419907013 531983655 /nfs/dbraw/zinc/98/36/55/531983655.db2.gz XGQCXYOIRBHBPH-JQWIXIFHSA-N 1 0 388.331 1.973 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419898385 531983671 /nfs/dbraw/zinc/98/36/71/531983671.db2.gz WXIZMIITHOPLSV-RYUDHWBXSA-N 1 0 380.286 1.763 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000284719955 531984231 /nfs/dbraw/zinc/98/42/31/531984231.db2.gz GLKSHIPMSFDPFC-UHFFFAOYSA-N 1 0 394.313 1.807 20 0 GDADRO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000656937124 531984870 /nfs/dbraw/zinc/98/48/70/531984870.db2.gz FYBVDDWSFCJICZ-OLZOCXBDSA-N 1 0 385.452 1.143 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCc2cccc(Br)c2C1 ZINC000419911297 531984995 /nfs/dbraw/zinc/98/49/95/531984995.db2.gz JJUIEXHSXJGQDJ-LBPRGKRZSA-N 1 0 380.286 1.450 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419916278 531985021 /nfs/dbraw/zinc/98/50/21/531985021.db2.gz FDJVERCJLSPMBY-VXGBXAGGSA-N 1 0 380.286 1.621 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)CC2 ZINC000419910951 531985074 /nfs/dbraw/zinc/98/50/74/531985074.db2.gz IVKOGDABKRALMN-ZDUSSCGKSA-N 1 0 394.313 1.758 20 0 GDADRO O=C(NCc1ccc(O)c(Br)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000458549066 531985538 /nfs/dbraw/zinc/98/55/38/531985538.db2.gz JUUQAHUKDZEAKK-CYBMUJFWSA-N 1 0 386.290 1.801 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)s1 ZINC000573549012 531986405 /nfs/dbraw/zinc/98/64/05/531986405.db2.gz UXCOOAACUFSSMH-FZMZJTMJSA-N 1 0 388.559 1.270 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000419921122 531986564 /nfs/dbraw/zinc/98/65/64/531986564.db2.gz XQWPVNUXSQIBIU-LBPRGKRZSA-N 1 0 380.286 1.450 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000419926634 531986577 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Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)CC2 ZINC000574895756 532000238 /nfs/dbraw/zinc/00/02/38/532000238.db2.gz GBNUQRVSHMQVIJ-KGLIPLIRSA-N 1 0 399.264 1.832 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)[NH+](C)C ZINC000657088127 532002459 /nfs/dbraw/zinc/00/24/59/532002459.db2.gz BAHODQGHLVTKDP-LLVKDONJSA-N 1 0 381.420 1.597 20 0 GDADRO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)CC2 ZINC000574895755 532000587 /nfs/dbraw/zinc/00/05/87/532000587.db2.gz GBNUQRVSHMQVIJ-KBPBESRZSA-N 1 0 399.264 1.832 20 0 GDADRO Cc1nc(S(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)sc1C ZINC000657086921 532000914 /nfs/dbraw/zinc/00/09/14/532000914.db2.gz TYPHVFYRPDKCJI-MRXNPFEDSA-N 1 0 381.523 1.805 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000657089125 532001586 /nfs/dbraw/zinc/00/15/86/532001586.db2.gz KVXYPIXQYYGIHH-JTQLQIEISA-N 1 0 393.303 1.839 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)oc1C ZINC000599101078 532004381 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COC(=O)c1cncc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000599103860 532006377 /nfs/dbraw/zinc/00/63/77/532006377.db2.gz TVONIKXOOUWGEU-PWSUYJOCSA-N 1 0 381.376 1.016 20 0 GDADRO C[NH+](C)C1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000420175307 532008442 /nfs/dbraw/zinc/00/84/42/532008442.db2.gz VCEPIPVVENIERX-UHFFFAOYSA-N 1 0 380.297 1.482 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420200501 532009817 /nfs/dbraw/zinc/00/98/17/532009817.db2.gz MVJLMVBBTUWSFQ-CMPLNLGQSA-N 1 0 386.265 1.790 20 0 GDADRO CCNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000271369332 532008744 /nfs/dbraw/zinc/00/87/44/532008744.db2.gz RCCQWZNSHKLDAI-ZDUSSCGKSA-N 1 0 389.905 1.691 20 0 GDADRO COc1cc(C[NH2+]C[C@]2(OCCO)CCOC2)cc(Br)c1O ZINC000657595699 532011809 /nfs/dbraw/zinc/01/18/09/532011809.db2.gz CBJDPKDYLFWVFP-OAHLLOKOSA-N 1 0 376.247 1.421 20 0 GDADRO CCOc1ccc(Cl)cc1CCNS(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632146236 532012109 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COC(=O)[C@@H](C)CS(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000576165340 532018657 /nfs/dbraw/zinc/01/86/57/532018657.db2.gz ALVJDOMGGDVSDB-GXTWGEPZSA-N 1 0 376.906 1.714 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)Cc1cn(CC(N)=O)nn1 ZINC000459509485 532018752 /nfs/dbraw/zinc/01/87/52/532018752.db2.gz YEMSXFMFKQLJHE-AWEZNQCLSA-N 1 0 380.290 1.979 20 0 GDADRO NC(=O)Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)nn1 ZINC000459508058 532019127 /nfs/dbraw/zinc/01/91/27/532019127.db2.gz ABYXYGFDZULYIP-LBPRGKRZSA-N 1 0 383.283 1.829 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000420455869 532017876 /nfs/dbraw/zinc/01/78/76/532017876.db2.gz GDDVACCWTITQTJ-QLJPJBMISA-N 1 0 389.905 1.912 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000576255589 532020180 /nfs/dbraw/zinc/02/01/80/532020180.db2.gz ADWSQIMGOZCKHT-UHFFFAOYSA-N 1 0 376.682 1.835 20 0 GDADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000285014550 532019549 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GDADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000632300548 532023051 /nfs/dbraw/zinc/02/30/51/532023051.db2.gz WBICSMZFVVZQSZ-WMLDXEAASA-N 1 0 389.924 1.892 20 0 GDADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCOCCS(C)(=O)=O ZINC000271560856 532025328 /nfs/dbraw/zinc/02/53/28/532025328.db2.gz XSRVEOQLLGDEON-AWEZNQCLSA-N 1 0 390.933 1.728 20 0 GDADRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271572865 532026886 /nfs/dbraw/zinc/02/68/86/532026886.db2.gz ZKKYPAQXPROWMW-NSHDSACASA-N 1 0 385.454 1.395 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccccc2Br)C1 ZINC000576652504 532025835 /nfs/dbraw/zinc/02/58/35/532025835.db2.gz KWAPRXRUAIXNFC-CYBMUJFWSA-N 1 0 382.302 1.913 20 0 GDADRO Cc1ccc(O[C@@H](C)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(Br)c1 ZINC000599336000 532030265 /nfs/dbraw/zinc/03/02/65/532030265.db2.gz RJKGOMWEWWLXOP-UONOGXRCSA-N 1 0 384.318 1.887 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000577063097 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C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000272944163 532125072 /nfs/dbraw/zinc/12/50/72/532125072.db2.gz MGSMLRYCQVFXAD-OLZOCXBDSA-N 1 0 385.917 1.773 20 0 GDADRO O=C(C[NH2+][C@H](CO)c1ccc(Br)cc1)N1CCC2(CC1)OCCO2 ZINC000272964755 532126009 /nfs/dbraw/zinc/12/60/09/532126009.db2.gz BCAGEOZSQMKDJT-OAHLLOKOSA-N 1 0 399.285 1.438 20 0 GDADRO O=C(Cc1ccc(Br)cc1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374528273 532126058 /nfs/dbraw/zinc/12/60/58/532126058.db2.gz UEEHJIKCSVVRIT-UHFFFAOYSA-N 1 0 397.313 1.677 20 0 GDADRO Cc1nc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)sc1S(N)(=O)=O ZINC000374531697 532126100 /nfs/dbraw/zinc/12/61/00/532126100.db2.gz SAVOACPFDZKNHQ-VXGBXAGGSA-N 1 0 388.559 1.425 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CSCc3cc(=O)n4ccsc4n3)C[C@H]21 ZINC000374602229 532129630 /nfs/dbraw/zinc/12/96/30/532129630.db2.gz HLSJGCJUMBGMJN-IACUBPJLSA-N 1 0 378.523 1.575 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1Cl ZINC000374597311 532129976 /nfs/dbraw/zinc/12/99/76/532129976.db2.gz UPFSDZHDFSHQKK-GZBFAFLISA-N 1 0 385.917 1.790 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000273044769 532130413 /nfs/dbraw/zinc/13/04/13/532130413.db2.gz INWODCMVNMFIAN-YMTOWFKASA-N 1 0 394.269 1.993 20 0 GDADRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000286101322 532131819 /nfs/dbraw/zinc/13/18/19/532131819.db2.gz LASKPEAIXXILPD-HUUCEWRRSA-N 1 0 381.527 1.830 20 0 GDADRO C[C@@H](C[S@](C)=O)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000273061345 532131942 /nfs/dbraw/zinc/13/19/42/532131942.db2.gz BOIGZEYLRIHPMD-FTJNGKRUSA-N 1 0 389.905 1.102 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)NC[C@H]3CC[NH2+]C3)CC2=O)ccc1Br ZINC000273062859 532132368 /nfs/dbraw/zinc/13/23/68/532132368.db2.gz TURRQNCWOIYHND-STQMWFEESA-N 1 0 380.286 1.836 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000286181969 532135177 /nfs/dbraw/zinc/13/51/77/532135177.db2.gz XFSFGBVTMBANRZ-CQSZACIVSA-N 1 0 397.317 1.609 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(CN2CCC(C(=O)N3CCCC3)CC2)s1 ZINC000425383881 532136643 /nfs/dbraw/zinc/13/66/43/532136643.db2.gz KXOCINPAYCXMCK-UHFFFAOYSA-N 1 0 385.555 1.833 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(CN2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000425402841 532137909 /nfs/dbraw/zinc/13/79/09/532137909.db2.gz HOSULHQJUWPKRH-UHFFFAOYSA-N 1 0 387.571 1.543 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(C(=O)OC)s1 ZINC000273474841 532152350 /nfs/dbraw/zinc/15/23/50/532152350.db2.gz JDRSBQSBXGZMEO-UHFFFAOYSA-N 1 0 392.499 1.187 20 0 GDADRO O=C(Nc1cncc(Br)c1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331779979 532152775 /nfs/dbraw/zinc/15/27/75/532152775.db2.gz HIZARLWEKOFBKZ-GFCCVEGCSA-N 1 0 396.289 1.520 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000273317896 532144710 /nfs/dbraw/zinc/14/47/10/532144710.db2.gz OVHBFUPVGTTYEZ-HNNXBMFYSA-N 1 0 390.933 1.744 20 0 GDADRO COc1c(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc(Cl)cc1C(N)=O ZINC000286394662 532147015 /nfs/dbraw/zinc/14/70/15/532147015.db2.gz QSGHJZYBDDJPKI-QWHCGFSZSA-N 1 0 386.905 1.957 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](Cc2ccccc2)C(N)=O)c(C)s1 ZINC000273383327 532147071 /nfs/dbraw/zinc/14/70/71/532147071.db2.gz GFRVRXQGWGVFDX-OAHLLOKOSA-N 1 0 381.523 1.329 20 0 GDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2cccc(Br)c2)CCO1 ZINC000286701474 532170565 /nfs/dbraw/zinc/17/05/65/532170565.db2.gz AURISUANLCMHJK-CQSZACIVSA-N 1 0 377.304 1.541 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000331935427 532156206 /nfs/dbraw/zinc/15/62/06/532156206.db2.gz OWKMFTHSNNXYQS-IUODEOHRSA-N 1 0 380.286 1.933 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000332063686 532161491 /nfs/dbraw/zinc/16/14/91/532161491.db2.gz RNEDBLIZBKPVBW-RNCFNFMXSA-N 1 0 384.249 1.734 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1Br ZINC000286577867 532161941 /nfs/dbraw/zinc/16/19/41/532161941.db2.gz FMFFMUSRIIJBFL-VIFPVBQESA-N 1 0 378.292 1.636 20 0 GDADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000426161358 532163016 /nfs/dbraw/zinc/16/30/16/532163016.db2.gz NAQIDMJZMKTTOX-ZJUUUORDSA-N 1 0 375.313 1.540 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000426182975 532164177 /nfs/dbraw/zinc/16/41/77/532164177.db2.gz LOEDPXCJBTZOKL-LBPRGKRZSA-N 1 0 382.404 1.978 20 0 GDADRO CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000273677158 532164557 /nfs/dbraw/zinc/16/45/57/532164557.db2.gz FIBXVDVIVAVJSY-CVEARBPZSA-N 1 0 385.555 1.031 20 0 GDADRO CN(C)S(=O)(=O)CC[N@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000375706744 532178966 /nfs/dbraw/zinc/17/89/66/532178966.db2.gz UTKUIKNYEYHZRL-UHFFFAOYSA-N 1 0 375.535 1.742 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000273993680 532180297 /nfs/dbraw/zinc/18/02/97/532180297.db2.gz RYHQKXZYWZRXKA-UHFFFAOYSA-N 1 0 375.288 1.998 20 0 GDADRO CS[C@H]1CN(CCOc2cccc(S(C)(=O)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000274060839 532182907 /nfs/dbraw/zinc/18/29/07/532182907.db2.gz OYAPAEGWJZNSJR-MSOLQXFVSA-N 1 0 384.567 1.981 20 0 GDADRO C[NH+](C)CC1(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CCCCC1 ZINC000426957107 532173851 /nfs/dbraw/zinc/17/38/51/532173851.db2.gz WTWGKPNZOQUMHL-CQSZACIVSA-N 1 0 388.555 1.511 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C[C@H]1[NH+](C)C ZINC000273845510 532173899 /nfs/dbraw/zinc/17/38/99/532173899.db2.gz MQZGLZASHJFBQU-HUUCEWRRSA-N 1 0 389.518 1.880 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427068712 532175575 /nfs/dbraw/zinc/17/55/75/532175575.db2.gz COBYKZZLPQZQBF-UHFFFAOYSA-N 1 0 399.195 1.711 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375968978 532191404 /nfs/dbraw/zinc/19/14/04/532191404.db2.gz MGCSCYORFYCVME-OAHLLOKOSA-N 1 0 376.254 1.614 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)CC2 ZINC000332512461 532191900 /nfs/dbraw/zinc/19/19/00/532191900.db2.gz VHYMTBBMDVIAKE-LRDDRELGSA-N 1 0 394.313 1.756 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000332536113 532193306 /nfs/dbraw/zinc/19/33/06/532193306.db2.gz UMGBYHUHHXBTJG-AWEZNQCLSA-N 1 0 386.905 1.108 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332549594 532194215 /nfs/dbraw/zinc/19/42/15/532194215.db2.gz IRNBJOLAUCKBEN-LDYMZIIASA-N 1 0 388.212 1.876 20 0 GDADRO O=C(Nc1ccc(I)cc1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332574789 532197005 /nfs/dbraw/zinc/19/70/05/532197005.db2.gz XXDAUIOSVTZNCF-WDEREUQCSA-N 1 0 399.232 1.298 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000332434722 532186287 /nfs/dbraw/zinc/18/62/87/532186287.db2.gz AKWNUWHZBJNBMS-ZUZCIYMTSA-N 1 0 398.276 1.730 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000332443234 532186402 /nfs/dbraw/zinc/18/64/02/532186402.db2.gz CQFAKVIZOPXLCE-ABAIWWIYSA-N 1 0 380.286 1.591 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000332458166 532187398 /nfs/dbraw/zinc/18/73/98/532187398.db2.gz GXXSBCRJRKCMQJ-MLGOLLRUSA-N 1 0 394.313 1.756 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000332469580 532188201 /nfs/dbraw/zinc/18/82/01/532188201.db2.gz JTTCSXFZIIWNOI-QWHCGFSZSA-N 1 0 380.286 1.720 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1ccc(Br)o1 ZINC000286977167 532188405 /nfs/dbraw/zinc/18/84/05/532188405.db2.gz GMHVLOZQGRQJTM-NEPJUHHUSA-N 1 0 384.274 1.857 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N[C@@H](C)C[NH+](C)C)s1 ZINC000287362203 532211294 /nfs/dbraw/zinc/21/12/94/532211294.db2.gz JXGQZBJAPPZJDW-ZDUSSCGKSA-N 1 0 390.575 1.570 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000332908971 532212831 /nfs/dbraw/zinc/21/28/31/532212831.db2.gz GVICDVXMELJYSX-GXTWGEPZSA-N 1 0 383.539 1.745 20 0 GDADRO NS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000428647332 532213459 /nfs/dbraw/zinc/21/34/59/532213459.db2.gz AGSVLMYDUXEKON-SNVBAGLBSA-N 1 0 394.266 1.280 20 0 GDADRO CO[C@@H](C)c1nc(CN2CCCN(C[C@@H]3CCS(=O)(=O)C3)CC2)cs1 ZINC000333033965 532215819 /nfs/dbraw/zinc/21/58/19/532215819.db2.gz NATSODPUGSXWLU-GJZGRUSLSA-N 1 0 387.571 1.793 20 0 GDADRO C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428767596 532215853 /nfs/dbraw/zinc/21/58/53/532215853.db2.gz RWFQIEXXASTKCA-RYUDHWBXSA-N 1 0 397.324 1.699 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000332645349 532203414 /nfs/dbraw/zinc/20/34/14/532203414.db2.gz HCRPCCYMKXEGOL-TZMCWYRMSA-N 1 0 381.274 1.687 20 0 GDADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000429437159 532228224 /nfs/dbraw/zinc/22/82/24/532228224.db2.gz ZHTACLIDFKFING-IRXDYDNUSA-N 1 0 389.539 1.552 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000429438827 532228864 /nfs/dbraw/zinc/22/88/64/532228864.db2.gz YKWJBXXDGZYNJG-GFCCVEGCSA-N 1 0 378.336 1.802 20 0 GDADRO CSc1ccc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000376775033 532228934 /nfs/dbraw/zinc/22/89/34/532228934.db2.gz AENHEUNKZNCCTC-LBPRGKRZSA-N 1 0 375.947 1.730 20 0 GDADRO C[C@H]([NH3+])c1ccc(CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 ZINC000429490892 532229969 /nfs/dbraw/zinc/22/99/69/532229969.db2.gz KJSSRRBLWMFVCT-LBPRGKRZSA-N 1 0 381.523 1.790 20 0 GDADRO O=C(Nc1cc(N2CCOCC2)c(Br)cn1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333335945 532230067 /nfs/dbraw/zinc/23/00/67/532230067.db2.gz OYPVILCKVUZLBX-TXEJJXNPSA-N 1 0 396.289 1.364 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000333367320 532231382 /nfs/dbraw/zinc/23/13/82/532231382.db2.gz UNNPMAPDOQMUHH-SMDDNHRTSA-N 1 0 398.305 1.800 20 0 GDADRO CCc1c(C(=O)N2CCO[C@@H](C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000274759304 532231553 /nfs/dbraw/zinc/23/15/53/532231553.db2.gz HXTVSGCRFDAOCX-AWEZNQCLSA-N 1 0 393.285 1.997 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CCO1 ZINC000274767931 532231652 /nfs/dbraw/zinc/23/16/52/532231652.db2.gz JDTMKNVJBPZNAF-VIFPVBQESA-N 1 0 380.613 1.744 20 0 GDADRO CCCCc1nnc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000429713741 532232964 /nfs/dbraw/zinc/23/29/64/532232964.db2.gz DYNRHZTVLKMIKB-NWDGAFQWSA-N 1 0 389.547 1.269 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000333409867 532233749 /nfs/dbraw/zinc/23/37/49/532233749.db2.gz ZSBQVMRPTLPRTA-RISCZKNCSA-N 1 0 398.305 1.943 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CCO1 ZINC000274800874 532234442 /nfs/dbraw/zinc/23/44/42/532234442.db2.gz OYLQGJYDXRAGEY-CQSZACIVSA-N 1 0 386.901 1.613 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CSCCS1 ZINC000287694178 532234533 /nfs/dbraw/zinc/23/45/33/532234533.db2.gz RGCOGTRTASMLMY-AWEZNQCLSA-N 1 0 387.596 1.603 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000274820005 532235174 /nfs/dbraw/zinc/23/51/74/532235174.db2.gz WGNKINUTIHYEJQ-INIZCTEOSA-N 1 0 394.921 1.346 20 0 GDADRO C[C@@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@@H]1CCC[NH2+]C1 ZINC000428976242 532220138 /nfs/dbraw/zinc/22/01/38/532220138.db2.gz ITBQWRFCNPXBMS-VXGBXAGGSA-N 1 0 393.285 1.663 20 0 GDADRO CC1(C)NC(=O)N(CC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)C1=O ZINC000429006378 532220593 /nfs/dbraw/zinc/22/05/93/532220593.db2.gz TUOCJEBOYXCONC-LBPRGKRZSA-N 1 0 388.237 1.542 20 0 GDADRO OC[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(Br)c(F)c1 ZINC000429025472 532221735 /nfs/dbraw/zinc/22/17/35/532221735.db2.gz BFVOIOKVBVQTLG-WBMJQRKESA-N 1 0 392.265 1.768 20 0 GDADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000287568607 532224470 /nfs/dbraw/zinc/22/44/70/532224470.db2.gz BSDARTMHWDLPLN-ZIAGYGMSSA-N 1 0 386.543 1.295 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2c(C(F)F)c(C)nn2C)C[C@H]1[NH+]1CCCC1 ZINC000333216611 532225432 /nfs/dbraw/zinc/22/54/32/532225432.db2.gz VRKCNXMCDAAPDB-NEPJUHHUSA-N 1 0 394.513 1.866 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1C(F)(F)F ZINC000376728767 532226030 /nfs/dbraw/zinc/22/60/30/532226030.db2.gz LAPIOAUZMYHSAX-CYBMUJFWSA-N 1 0 377.432 1.682 20 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CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000378220935 532283363 /nfs/dbraw/zinc/28/33/63/532283363.db2.gz CZMCKLZUZAFXFH-WMLDXEAASA-N 1 0 386.539 1.633 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N(C)CC[NH+](C)C)cc1OC ZINC000275383757 532292515 /nfs/dbraw/zinc/29/25/15/532292515.db2.gz FBHJAUQWSVQPMZ-UHFFFAOYSA-N 1 0 388.262 1.425 20 0 GDADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000288560711 532296723 /nfs/dbraw/zinc/29/67/23/532296723.db2.gz WGDPRVURVDYYQE-NXEZZACHSA-N 1 0 377.919 1.748 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000288560716 532296984 /nfs/dbraw/zinc/29/69/84/532296984.db2.gz WGDPRVURVDYYQE-VHSXEESVSA-N 1 0 377.919 1.748 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000389000292 532297428 /nfs/dbraw/zinc/29/74/28/532297428.db2.gz FGEKDRMVJDZDTQ-ZWNOBZJWSA-N 1 0 392.262 1.664 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000390215410 532298144 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CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(CCNC(=O)OC)s2)C1 ZINC000276278188 532325564 /nfs/dbraw/zinc/32/55/64/532325564.db2.gz WDGREEGVOJYCIP-CYBMUJFWSA-N 1 0 389.543 1.609 20 0 GDADRO CSc1nnc(CNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000275780010 532310018 /nfs/dbraw/zinc/31/00/18/532310018.db2.gz FHLNULBFOITLFO-UHFFFAOYSA-N 1 0 377.539 1.937 20 0 GDADRO COCC[NH+]1CCC(NC(=O)N(C)CCn2cc(Br)cn2)CC1 ZINC000288883693 532310212 /nfs/dbraw/zinc/31/02/12/532310212.db2.gz OVLRUIXKSBCQAY-UHFFFAOYSA-N 1 0 388.310 1.398 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000289119084 532316103 /nfs/dbraw/zinc/31/61/03/532316103.db2.gz QWMOAWDTUJLINE-NHYWBVRUSA-N 1 0 397.317 1.345 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000289317738 532321488 /nfs/dbraw/zinc/32/14/88/532321488.db2.gz SSKIWGNYYUYPRW-LBPRGKRZSA-N 1 0 383.543 1.067 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000276195906 532322471 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1.824 20 0 GDADRO C[N@H+](C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000290037105 532335816 /nfs/dbraw/zinc/33/58/16/532335816.db2.gz QPAMCQWYNIUMAL-CYBMUJFWSA-N 1 0 393.962 1.163 20 0 GDADRO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)NCCCOC1CCCCC1 ZINC000359905959 209202170 /nfs/dbraw/zinc/20/21/70/209202170.db2.gz VIZNZSVWAWVWAH-GOSISDBHSA-N 1 0 395.544 1.413 20 0 GDADRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C1CCN(c2nnnn2C)CC1 ZINC000359878132 209199312 /nfs/dbraw/zinc/19/93/12/209199312.db2.gz XXOBHZKMZVPWEH-IBGZPJMESA-N 1 0 385.516 1.150 20 0 GDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCO[C@@H](COC)C1 ZINC000359864753 209194996 /nfs/dbraw/zinc/19/49/96/209194996.db2.gz BWZDCGQNHLPBOT-QGZVFWFLSA-N 1 0 392.500 1.716 20 0 GDADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000020688339 210355963 /nfs/dbraw/zinc/35/59/63/210355963.db2.gz CAQPJWZADUFHTI-HXUWFJFHSA-N 1 0 398.551 1.712 20 0 GDADRO COc1cccc2c1OCC[C@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737143660 598837266 /nfs/dbraw/zinc/83/72/66/598837266.db2.gz SKRXWSAIYGDXEU-SMDDNHRTSA-N 1 0 382.428 1.227 20 0 GDADRO COCCC[N@H+](CCOC)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000736980922 598850883 /nfs/dbraw/zinc/85/08/83/598850883.db2.gz HPWNSDLHPXHLDW-UHFFFAOYSA-N 1 0 386.460 1.376 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000737525498 598851522 /nfs/dbraw/zinc/85/15/22/598851522.db2.gz RHDXTSCKBHGBBG-CQSZACIVSA-N 1 0 395.471 1.369 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1C ZINC000736399424 598854113 /nfs/dbraw/zinc/85/41/13/598854113.db2.gz GKTXUFKRYUARPW-OAHLLOKOSA-N 1 0 385.472 1.494 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738347510 598876666 /nfs/dbraw/zinc/87/66/66/598876666.db2.gz IYPUATXVPWHYJP-CQSZACIVSA-N 1 0 394.476 1.645 20 0 GDADRO C[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1CCCCCC1 ZINC000735536342 598904178 /nfs/dbraw/zinc/90/41/78/598904178.db2.gz DETMITFHBFZBJM-HNNXBMFYSA-N 1 0 398.515 1.611 20 0 GDADRO C[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000736784593 598916809 /nfs/dbraw/zinc/91/68/09/598916809.db2.gz WYFYRFVTKPJZOQ-LJQANCHMSA-N 1 0 376.464 1.972 20 0 GDADRO O[C@@H](COCc1ccccc1)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738385922 598919352 /nfs/dbraw/zinc/91/93/52/598919352.db2.gz JEQAVKRRHVAGGJ-GOSISDBHSA-N 1 0 394.479 1.566 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000736859379 598936239 /nfs/dbraw/zinc/93/62/39/598936239.db2.gz GQDLXYNUVLKGKJ-HNNXBMFYSA-N 1 0 393.499 1.416 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000737295969 598958423 /nfs/dbraw/zinc/95/84/23/598958423.db2.gz CSTZBKBZQGQMDE-INIZCTEOSA-N 1 0 390.513 1.814 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(CN(C)c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000736147880 598966501 /nfs/dbraw/zinc/96/65/01/598966501.db2.gz NTJXSEYWNMQMRK-CYBMUJFWSA-N 1 0 382.472 1.339 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)CC2)C1 ZINC000736858996 598969125 /nfs/dbraw/zinc/96/91/25/598969125.db2.gz WWASPEHQNSGNLO-AWEZNQCLSA-N 1 0 379.472 1.026 20 0 GDADRO CC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000736569956 598987274 /nfs/dbraw/zinc/98/72/74/598987274.db2.gz LGPBDFAJBMPJCG-LBPRGKRZSA-N 1 0 389.529 1.772 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCc1ccccc1C[NH+](C)C ZINC000737223739 598996372 /nfs/dbraw/zinc/99/63/72/598996372.db2.gz DRLCHJNKGNJFBA-UHFFFAOYSA-N 1 0 386.481 1.715 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000737224731 598999782 /nfs/dbraw/zinc/99/97/82/598999782.db2.gz ZVQRIULBWILNST-UONOGXRCSA-N 1 0 378.502 1.716 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)C[C@@H]1C ZINC000736565893 599008191 /nfs/dbraw/zinc/00/81/91/599008191.db2.gz TYZANIIREBTAEJ-DZGCQCFKSA-N 1 0 378.502 1.668 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000736617487 599017165 /nfs/dbraw/zinc/01/71/65/599017165.db2.gz YLRJBRLIVKKPEA-MAUKXSAKSA-N 1 0 386.500 1.662 20 0 GDADRO C[C@](CO)([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736025078 599018940 /nfs/dbraw/zinc/01/89/40/599018940.db2.gz CZRTWXVOOAMEPU-VQIMIIECSA-N 1 0 375.473 1.527 20 0 GDADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000735905893 599020371 /nfs/dbraw/zinc/02/03/71/599020371.db2.gz NLBAEUAFMCGIGY-UHFFFAOYSA-N 1 0 389.460 1.232 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000736854062 599022496 /nfs/dbraw/zinc/02/24/96/599022496.db2.gz CQSSVQGRWAPAOW-UHFFFAOYSA-N 1 0 397.386 1.046 20 0 GDADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)nc2)cc1 ZINC000736531143 599022566 /nfs/dbraw/zinc/02/25/66/599022566.db2.gz RNZZWBAELLTLKN-UHFFFAOYSA-N 1 0 395.467 1.912 20 0 GDADRO Cc1nnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737523504 599044838 /nfs/dbraw/zinc/04/48/38/599044838.db2.gz ZJVYVOMXJRNHTI-LJQANCHMSA-N 1 0 380.456 1.322 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000822333082 599051000 /nfs/dbraw/zinc/05/10/00/599051000.db2.gz VVBRIHFNMQQMQN-OAHLLOKOSA-N 1 0 379.468 1.882 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736267106 599077042 /nfs/dbraw/zinc/07/70/42/599077042.db2.gz LSWPDEKZSJVRKH-MDZRGWNJSA-N 1 0 397.527 1.980 20 0 GDADRO NC(=O)[C@@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731532 599094091 /nfs/dbraw/zinc/09/40/91/599094091.db2.gz SLQORCDPMUCZGU-SFHVURJKSA-N 1 0 392.467 1.042 20 0 GDADRO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000823001582 599106604 /nfs/dbraw/zinc/10/66/04/599106604.db2.gz NETZPVXHRBNUJW-CYBMUJFWSA-N 1 0 375.864 1.629 20 0 GDADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736535503 599123894 /nfs/dbraw/zinc/12/38/94/599123894.db2.gz XVZANYAWVDQYQZ-UHFFFAOYSA-N 1 0 396.492 1.748 20 0 GDADRO Cn1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cc1C1CC1 ZINC000736767644 599189206 /nfs/dbraw/zinc/18/92/06/599189206.db2.gz RXWCRYROPAAPFZ-UHFFFAOYSA-N 1 0 394.483 1.682 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614686 599193341 /nfs/dbraw/zinc/19/33/41/599193341.db2.gz QQTOQXXXMYGKAS-SFHVURJKSA-N 1 0 392.463 1.978 20 0 GDADRO COCCOC1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000737006515 599208375 /nfs/dbraw/zinc/20/83/75/599208375.db2.gz QZHVRVMFROKYAQ-UHFFFAOYSA-N 1 0 380.474 1.384 20 0 GDADRO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736757809 599213957 /nfs/dbraw/zinc/21/39/57/599213957.db2.gz DNEHTZBJUMTVMF-SFHVURJKSA-N 1 0 380.452 1.535 20 0 GDADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000737943284 599246089 /nfs/dbraw/zinc/24/60/89/599246089.db2.gz RUUXLJLRLYWXKQ-CQSZACIVSA-N 1 0 388.497 1.140 20 0 GDADRO Cc1c(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cccc1-c1nn[nH]n1 ZINC000822053260 607273208 /nfs/dbraw/zinc/27/32/08/607273208.db2.gz LIAHILPDCJLIRO-AWEZNQCLSA-N 1 0 399.499 1.884 20 0 GDADRO CC[N@H+](CCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1)C1CC1 ZINC000821216016 607300548 /nfs/dbraw/zinc/30/05/48/607300548.db2.gz ZCVLMYJGFXACBV-UHFFFAOYSA-N 1 0 385.472 1.576 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000820702968 607333319 /nfs/dbraw/zinc/33/33/19/607333319.db2.gz BYFJUSPZXSGHHC-NWDGAFQWSA-N 1 0 389.435 1.323 20 0 GDADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000823791590 607345594 /nfs/dbraw/zinc/34/55/94/607345594.db2.gz FQGVLEGYPXYOTG-OAHLLOKOSA-N 1 0 394.483 1.891 20 0 GDADRO c1cn(-c2ccc(C[NH+]3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)cc2)cn1 ZINC000738445596 598250489 /nfs/dbraw/zinc/25/04/89/598250489.db2.gz JKXWFHIAYZWNPR-UHFFFAOYSA-N 1 0 387.451 1.770 20 0 GDADRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736769433 598260525 /nfs/dbraw/zinc/26/05/25/598260525.db2.gz SVDKTGJBPFJXSW-UHFFFAOYSA-N 1 0 387.469 1.014 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000736637075 598263658 /nfs/dbraw/zinc/26/36/58/598263658.db2.gz ODUAQOIBGQDGJZ-UONOGXRCSA-N 1 0 387.444 1.250 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738051203 598272081 /nfs/dbraw/zinc/27/20/81/598272081.db2.gz KWDVOWPJLLTXQN-ROUUACIJSA-N 1 0 397.483 1.404 20 0 GDADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000736771177 598330077 /nfs/dbraw/zinc/33/00/77/598330077.db2.gz IZDCAOVPZVKMSF-UHFFFAOYSA-N 1 0 397.414 1.322 20 0 GDADRO CC(C)[N@H+](CC1CC1)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000735858874 598333620 /nfs/dbraw/zinc/33/36/20/598333620.db2.gz JEXLXHKGSYZXKX-UHFFFAOYSA-N 1 0 383.456 1.709 20 0 GDADRO O=C(CC[NH+]1CCC(Cn2cccn2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737837436 598353703 /nfs/dbraw/zinc/35/37/03/598353703.db2.gz GWHSRMQMLCWAQC-UHFFFAOYSA-N 1 0 380.456 1.804 20 0 GDADRO CC[N@H+](CCNC(=O)CCc1c(C)nc2c(-c3nn[nH]n3)cnn2c1C)C(C)C ZINC000736537634 598359322 /nfs/dbraw/zinc/35/93/22/598359322.db2.gz OJNQZDJOZOYMGD-UHFFFAOYSA-N 1 0 399.503 1.305 20 0 GDADRO Cc1nc(C)n([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737472807 598367843 /nfs/dbraw/zinc/36/78/43/598367843.db2.gz ADIHMMXJHLJZMV-IAGOWNOFSA-N 1 0 398.471 1.152 20 0 GDADRO O=C(C1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCCCC1 ZINC000737791480 598382019 /nfs/dbraw/zinc/38/20/19/598382019.db2.gz KUPFTVWNZUSMMR-UHFFFAOYSA-N 1 0 384.484 1.970 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736760912 598397802 /nfs/dbraw/zinc/39/78/02/598397802.db2.gz RPFFDWKOCXDSJB-KRWDZBQOSA-N 1 0 393.451 1.016 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1-c1nn[nH]n1 ZINC000737190462 598497263 /nfs/dbraw/zinc/49/72/63/598497263.db2.gz ZHEXOTPRHVJZMA-LLVKDONJSA-N 1 0 387.513 1.933 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000737486824 598502888 /nfs/dbraw/zinc/50/28/88/598502888.db2.gz FKDCZIIJQHQTQJ-LLVKDONJSA-N 1 0 397.487 1.058 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCOCC1CC1 ZINC000736767105 598514457 /nfs/dbraw/zinc/51/44/57/598514457.db2.gz LLSWXMLXDCVDAD-UHFFFAOYSA-N 1 0 387.488 1.367 20 0 GDADRO Brc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)s1 ZINC000735368113 598519485 /nfs/dbraw/zinc/51/94/85/598519485.db2.gz FZPFPPQAWKHSAW-QMMMGPOBSA-N 1 0 395.290 1.719 20 0 GDADRO COc1ccc([C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CC2)cc1 ZINC000737075346 598520206 /nfs/dbraw/zinc/52/02/06/598520206.db2.gz MSXSVLQZTFZXSD-SJCJKPOMSA-N 1 0 380.456 1.854 20 0 GDADRO COc1ccc([C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CC2)cc1 ZINC000737075349 598520318 /nfs/dbraw/zinc/52/03/18/598520318.db2.gz MSXSVLQZTFZXSD-SJKOYZFVSA-N 1 0 380.456 1.854 20 0 GDADRO COc1cc2c(cc1C[NH2+]C[C@@H]1CNc3c(-c4nn[nH]n4)cnn3C1)O[C@H](C)C2 ZINC000737055276 598522057 /nfs/dbraw/zinc/52/20/57/598522057.db2.gz 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c1csc([C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2)n1 ZINC000738425010 598528570 /nfs/dbraw/zinc/52/85/70/598528570.db2.gz JJHGUUHBRHDUIV-WFASDCNBSA-N 1 0 393.480 1.941 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCCc1nc3c(s1)CCCC3)C2 ZINC000738449635 598530157 /nfs/dbraw/zinc/53/01/57/598530157.db2.gz LGLOVWDUKGIXSC-LBPRGKRZSA-N 1 0 399.528 1.663 20 0 GDADRO CCc1cccc2c1OCC[C@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736696577 598530878 /nfs/dbraw/zinc/53/08/78/598530878.db2.gz ZVSWZRVHAGALBQ-BLLLJJGKSA-N 1 0 380.456 1.781 20 0 GDADRO C[NH+](C)C[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CCO1 ZINC000736759434 598544437 /nfs/dbraw/zinc/54/44/37/598544437.db2.gz RAVHCLBJCZRVSB-SNVBAGLBSA-N 1 0 391.838 1.974 20 0 GDADRO CC(C)C(=O)N1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000735684430 598563062 /nfs/dbraw/zinc/56/30/62/598563062.db2.gz MKKLBMBIPHHGHO-UHFFFAOYSA-N 1 0 391.501 1.447 20 0 GDADRO Cc1nc(SCC(=O)N2CCC[C@H]([NH+](C)C)C2)c(-c2nn[nH]n2)c(C)c1C 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KCKJBUROCZSTEF-WCQYABFASA-N 1 0 382.465 1.357 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000822222331 599361524 /nfs/dbraw/zinc/36/15/24/599361524.db2.gz CPEFPRSMHWUEGF-OAHLLOKOSA-N 1 0 390.513 1.672 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000443017169 599367915 /nfs/dbraw/zinc/36/79/15/599367915.db2.gz YSBCNOVVIFBCOY-VXGBXAGGSA-N 1 0 396.904 1.767 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(-n2cccn2)cc1 ZINC000820420571 599396105 /nfs/dbraw/zinc/39/61/05/599396105.db2.gz TVXPHWAYIIRHMH-KBPBESRZSA-N 1 0 390.455 1.641 20 0 GDADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000823197852 599405416 /nfs/dbraw/zinc/40/54/16/599405416.db2.gz VSVLEZGFLCBAHX-UHFFFAOYSA-N 1 0 395.442 1.863 20 0 GDADRO COc1ccc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)cc1-c1nn[nH]n1 ZINC000821818056 599407301 /nfs/dbraw/zinc/40/73/01/599407301.db2.gz JQQVXDBKHKYZDI-UHFFFAOYSA-N 1 0 394.479 1.997 20 0 GDADRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000821772934 599411478 /nfs/dbraw/zinc/41/14/78/599411478.db2.gz VCQZTRPKSIDYHJ-UHFFFAOYSA-N 1 0 382.424 1.404 20 0 GDADRO COc1ccc(C[NH2+]CCN2C(=O)c3ccccc3C2=O)cc1-c1nn[nH]n1 ZINC000821813905 599417290 /nfs/dbraw/zinc/41/72/90/599417290.db2.gz ORSOFVYQSPRADS-UHFFFAOYSA-N 1 0 378.392 1.261 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000823212161 599453315 /nfs/dbraw/zinc/45/33/15/599453315.db2.gz VPFJRCBCQZMUBY-INIZCTEOSA-N 1 0 385.472 1.515 20 0 GDADRO O=C1CCCN1c1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000738305539 599483598 /nfs/dbraw/zinc/48/35/98/599483598.db2.gz UFLJOUJHIKSDKS-UHFFFAOYSA-N 1 0 388.435 1.931 20 0 GDADRO CS(=O)(=O)Nc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737168165 599485072 /nfs/dbraw/zinc/48/50/72/599485072.db2.gz FKKCPILECYOZNQ-UHFFFAOYSA-N 1 0 398.452 1.176 20 0 GDADRO COc1ccc(C(=O)NCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737066149 599486513 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398.471 1.194 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821625473 599574470 /nfs/dbraw/zinc/57/44/70/599574470.db2.gz OREGZGFCBIUIET-CVEARBPZSA-N 1 0 380.456 1.975 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1-c1nn[nH]n1 ZINC000822312659 599603011 /nfs/dbraw/zinc/60/30/11/599603011.db2.gz HDDQDSODUDLZLP-GUTXKFCHSA-N 1 0 399.499 1.596 20 0 GDADRO COCCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821692247 599642660 /nfs/dbraw/zinc/64/26/60/599642660.db2.gz RWRMPPNXUYSBNB-OCCSQVGLSA-N 1 0 392.460 1.388 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000821689884 599676564 /nfs/dbraw/zinc/67/65/64/599676564.db2.gz QGZNXRORVDCURB-YOEHRIQHSA-N 1 0 387.488 1.507 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821596591 599694863 /nfs/dbraw/zinc/69/48/63/599694863.db2.gz OYRVGPGKHUIQAH-CYBMUJFWSA-N 1 0 394.476 1.358 20 0 GDADRO 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INHHQXGZZSFSEQ-UHFFFAOYSA-N 1 0 394.501 1.340 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000823690126 606814604 /nfs/dbraw/zinc/81/46/04/606814604.db2.gz LNVLTSOBGVCHEJ-CRAIPNDOSA-N 1 0 382.424 1.155 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000820751843 606838783 /nfs/dbraw/zinc/83/87/83/606838783.db2.gz IDLIGABCRFBIKK-YGRLFVJLSA-N 1 0 391.863 1.304 20 0 GDADRO COC(=O)c1cc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)ccc1OC ZINC000821667121 606850419 /nfs/dbraw/zinc/85/04/19/606850419.db2.gz VXNQRSNFLDTBJZ-MRXNPFEDSA-N 1 0 383.408 1.485 20 0 GDADRO O[C@@H](C[NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689314 606852028 /nfs/dbraw/zinc/85/20/28/606852028.db2.gz DOFZAZVYNNAPIU-IBGZPJMESA-N 1 0 375.436 1.935 20 0 GDADRO CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820016483 606891202 /nfs/dbraw/zinc/89/12/02/606891202.db2.gz MSGDZQJIIFZOCJ-KSSFIOAISA-N 1 0 386.500 1.773 20 0 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CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C12CCC2 ZINC000821357336 606917126 /nfs/dbraw/zinc/91/71/26/606917126.db2.gz CBXRCPCSRGBETK-IRXDYDNUSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)(C)OC(=O)NC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819939465 606920419 /nfs/dbraw/zinc/92/04/19/606920419.db2.gz CPFBSYUZLJNSDY-MRXNPFEDSA-N 1 0 388.472 1.889 20 0 GDADRO NC(=O)[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850216 606947818 /nfs/dbraw/zinc/94/78/18/606947818.db2.gz BLENHWTWONXJMZ-SFHVURJKSA-N 1 0 394.435 1.387 20 0 GDADRO COc1cc(C[NH2+]C[C@@H]2COCCN2)cc(I)c1OC ZINC000530247468 649968788 /nfs/dbraw/zinc/96/87/88/649968788.db2.gz UKZHHJWRFSUSKO-LLVKDONJSA-N 1 0 392.237 1.386 20 0 GDADRO CCc1cc(=O)[nH]c(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000821475908 606961126 /nfs/dbraw/zinc/96/11/26/606961126.db2.gz CLZYMNGGWGZCTR-UHFFFAOYSA-N 1 0 394.483 1.633 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3F)CC[C@@H]21 ZINC000821625797 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KZYHJKDHTUIYDR-YJBOKZPZSA-N 1 0 399.499 1.238 20 0 GDADRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821255035 607181005 /nfs/dbraw/zinc/18/10/05/607181005.db2.gz SEXNWOUBALZJNM-NSHDSACASA-N 1 0 377.836 1.059 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000823009918 607225168 /nfs/dbraw/zinc/22/51/68/607225168.db2.gz YVOVUXLGTVDSJH-QZTJIDSGSA-N 1 0 399.499 1.163 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826034170 607815357 /nfs/dbraw/zinc/81/53/57/607815357.db2.gz OHDJIOKJHFVIGT-SJORKVTESA-N 1 0 390.513 1.199 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCN1c1sccc1-c1nn[nH]n1 ZINC000826476570 607818210 /nfs/dbraw/zinc/81/82/10/607818210.db2.gz KNVJAWOURFGRQS-FMKGYKFTSA-N 1 0 386.481 1.581 20 0 GDADRO C[C@@H]1C[C@H](N(C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000824885397 607828635 /nfs/dbraw/zinc/82/86/35/607828635.db2.gz SNXIYPWCBSVMFX-UKRRQHHQSA-N 1 0 378.502 1.055 20 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C[N@@H+]1CC[C@H](NC(=O)COc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccccc1 ZINC000826029777 608007742 /nfs/dbraw/zinc/00/77/42/608007742.db2.gz WKESNKQVTSNNJR-HKUYNNGSSA-N 1 0 378.436 1.807 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000826268279 608016310 /nfs/dbraw/zinc/01/63/10/608016310.db2.gz QRBCMKJOCGNTFW-OAHLLOKOSA-N 1 0 397.458 1.950 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c1-c1nn[nH]n1 ZINC000826077687 608019797 /nfs/dbraw/zinc/01/97/97/608019797.db2.gz QPIKHTUOJXLBCL-UONOGXRCSA-N 1 0 396.455 1.493 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3ccsc3c2)c1-c1nn[nH]n1 ZINC000826083004 608019867 /nfs/dbraw/zinc/01/98/67/608019867.db2.gz DXDXKCJQPACQSF-UHFFFAOYSA-N 1 0 383.441 1.604 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000826073335 608020349 /nfs/dbraw/zinc/02/03/49/608020349.db2.gz OGPYKWKLSQTIGH-NSHDSACASA-N 1 0 386.435 1.698 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2NC(C)C)c1-c1nn[nH]n1 ZINC000826084105 608020946 /nfs/dbraw/zinc/02/09/46/608020946.db2.gz VJPZOJRCKBAEGU-UHFFFAOYSA-N 1 0 384.448 1.209 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)c1-c1nn[nH]n1 ZINC000826077618 608021263 /nfs/dbraw/zinc/02/12/63/608021263.db2.gz OKANKYUCUBBHGX-OAHLLOKOSA-N 1 0 396.455 1.301 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(CC(C)C)n2)c1-c1nn[nH]n1 ZINC000826082994 608021601 /nfs/dbraw/zinc/02/16/01/608021601.db2.gz DNPBMIHKBIGLPE-UHFFFAOYSA-N 1 0 389.489 1.649 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000826077168 608021817 /nfs/dbraw/zinc/02/18/17/608021817.db2.gz BWXDEKPNHJKASR-STQMWFEESA-N 1 0 384.419 1.623 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cncc(Br)c1 ZINC000825934253 608034687 /nfs/dbraw/zinc/03/46/87/608034687.db2.gz LKKUQMNOUWHFPZ-UHFFFAOYSA-N 1 0 392.265 1.394 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826431235 608063849 /nfs/dbraw/zinc/06/38/49/608063849.db2.gz VZZNJTJIFZQMMA-QZTJIDSGSA-N 1 0 397.483 1.434 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826431300 608063907 /nfs/dbraw/zinc/06/39/07/608063907.db2.gz XLJDAKNWBOOZFA-WBVHZDCISA-N 1 0 383.456 1.186 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825460025 608064580 /nfs/dbraw/zinc/06/45/80/608064580.db2.gz QMJHOABGQQJAFX-SJORKVTESA-N 1 0 385.472 1.434 20 0 GDADRO CS[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000826227596 608088117 /nfs/dbraw/zinc/08/81/17/608088117.db2.gz UFLAUICCFIMNOP-KGLIPLIRSA-N 1 0 395.920 1.436 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000826255859 608126346 /nfs/dbraw/zinc/12/63/46/608126346.db2.gz MSUHJVSDDOOBEP-CQSZACIVSA-N 1 0 378.502 1.718 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000824047128 608131007 /nfs/dbraw/zinc/13/10/07/608131007.db2.gz 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CCC[C@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825251836 608305991 /nfs/dbraw/zinc/30/59/91/608305991.db2.gz DOJPLLLFGVKQOJ-AWEZNQCLSA-N 1 0 391.451 1.970 20 0 GDADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000826224222 608311770 /nfs/dbraw/zinc/31/17/70/608311770.db2.gz VDWOQJYPRNZFNN-UHFFFAOYSA-N 1 0 394.482 1.468 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826504350 608326744 /nfs/dbraw/zinc/32/67/44/608326744.db2.gz UKMHGSFIBAQHSQ-NUJGCVRESA-N 1 0 387.484 1.745 20 0 GDADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824925536 608331282 /nfs/dbraw/zinc/33/12/82/608331282.db2.gz DTGMSITYTWTIKH-CHWSQXEVSA-N 1 0 396.492 1.688 20 0 GDADRO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000825203983 608337231 /nfs/dbraw/zinc/33/72/31/608337231.db2.gz OTUNZCFEMXSGRD-CKEIUWERSA-N 1 0 387.488 1.414 20 0 GDADRO CC(C)Oc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1-c1nn[nH]n1 ZINC000824328876 608338637 /nfs/dbraw/zinc/33/86/37/608338637.db2.gz CMKFLDXCQDWAAJ-CQSZACIVSA-N 1 0 389.460 1.448 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000826028795 608338911 /nfs/dbraw/zinc/33/89/11/608338911.db2.gz IEKITNHJTISXDV-CJNGLKHVSA-N 1 0 394.476 1.252 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000826168926 608367828 /nfs/dbraw/zinc/36/78/28/608367828.db2.gz CJIHYBLDCRWLCG-UHFFFAOYSA-N 1 0 386.485 1.748 20 0 GDADRO CCN1C(=O)N=NC1C1CC[NH+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000825788734 608382397 /nfs/dbraw/zinc/38/23/97/608382397.db2.gz USZLYILFGKQZIQ-UHFFFAOYSA-N 1 0 384.444 1.572 20 0 GDADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000824599260 608429795 /nfs/dbraw/zinc/42/97/95/608429795.db2.gz NDUPAFPGFDGZGG-ZDUSSCGKSA-N 1 0 387.465 2.000 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2c(Cl)cccc2-c2nn[nH]n2)CC1 ZINC000826390038 608435976 /nfs/dbraw/zinc/43/59/76/608435976.db2.gz OLFNDGPQMDEXST-AWEZNQCLSA-N 1 0 375.864 1.439 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562606 608460807 /nfs/dbraw/zinc/46/08/07/608460807.db2.gz HODDUYMOFCELKI-XJKSGUPXSA-N 1 0 394.435 1.474 20 0 GDADRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554505 608463663 /nfs/dbraw/zinc/46/36/63/608463663.db2.gz PWBJKXCYFIIXBO-MRXNPFEDSA-N 1 0 391.479 1.866 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1cccc(-c2nn[nH]n2)c1 ZINC000824562668 608482944 /nfs/dbraw/zinc/48/29/44/608482944.db2.gz IDYKKHHPKDQFMN-GFCCVEGCSA-N 1 0 380.408 1.562 20 0 GDADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824000042 608491520 /nfs/dbraw/zinc/49/15/20/608491520.db2.gz RVAFZSIVICXUSZ-ACJLOTCBSA-N 1 0 396.451 1.916 20 0 GDADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC000824761585 608503854 /nfs/dbraw/zinc/50/38/54/608503854.db2.gz BSOMZPKPWXGWFT-JTQLQIEISA-N 1 0 378.483 1.769 20 0 GDADRO NC(=O)CC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000826391623 608508080 /nfs/dbraw/zinc/50/80/80/608508080.db2.gz UHOFOBGVQSNCCQ-UHFFFAOYSA-N 1 0 376.424 1.392 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1CC(F)(F)F ZINC000826477260 608520702 /nfs/dbraw/zinc/52/07/02/608520702.db2.gz YPIYAFNEJDNRLP-ZIAGYGMSSA-N 1 0 380.374 1.997 20 0 GDADRO COc1ccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826201875 608581536 /nfs/dbraw/zinc/58/15/36/608581536.db2.gz HDLSGNZRFWUATE-CYBMUJFWSA-N 1 0 387.465 1.827 20 0 GDADRO COCCn1cc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000826163710 608680839 /nfs/dbraw/zinc/68/08/39/608680839.db2.gz HRYRPPIAMZIDNT-UHFFFAOYSA-N 1 0 383.456 1.753 20 0 GDADRO c1ccc(CN2CC[NH+](CCCNc3cnccc3-c3nn[nH]n3)CC2)cc1 ZINC000826521296 608772887 /nfs/dbraw/zinc/77/28/87/608772887.db2.gz HEPBJWYZEAWLGA-UHFFFAOYSA-N 1 0 378.484 1.882 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000824689973 609146301 /nfs/dbraw/zinc/14/63/01/609146301.db2.gz ONIWXMKVAMGHJW-OUAUKWLOSA-N 1 0 376.486 1.447 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257701 609153047 /nfs/dbraw/zinc/15/30/47/609153047.db2.gz MERVDODGTWBFGK-MRXNPFEDSA-N 1 0 380.456 1.527 20 0 GDADRO CC[N@H+](CCNC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1)C1CC1 ZINC000825424248 609153255 /nfs/dbraw/zinc/15/32/55/609153255.db2.gz CNHUKOLQUVEBKB-UHFFFAOYSA-N 1 0 380.456 1.575 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825120846 609156498 /nfs/dbraw/zinc/15/64/98/609156498.db2.gz OGQLAMAMNFIQMD-INIZCTEOSA-N 1 0 394.483 1.965 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825870649 609205179 /nfs/dbraw/zinc/20/51/79/609205179.db2.gz WYEVARAAXYOPCJ-QGZVFWFLSA-N 1 0 382.424 1.479 20 0 GDADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825865772 609210598 /nfs/dbraw/zinc/21/05/98/609210598.db2.gz KIJNXGKBBVVEFA-GOSISDBHSA-N 1 0 386.500 1.871 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824553257 609238375 /nfs/dbraw/zinc/23/83/75/609238375.db2.gz AQYYGPHXWNRWSZ-JRPNMDOOSA-N 1 0 382.465 1.326 20 0 GDADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826435267 609260582 /nfs/dbraw/zinc/26/05/82/609260582.db2.gz KHJKNXHBQQHAMT-SFHVURJKSA-N 1 0 393.451 1.328 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824413703 609260849 /nfs/dbraw/zinc/26/08/49/609260849.db2.gz OMCXAUXKKINJFM-RDTXWAMCSA-N 1 0 380.452 1.537 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824906113 609265335 /nfs/dbraw/zinc/26/53/35/609265335.db2.gz ABFRZMKPAVOZGK-CKEIUWERSA-N 1 0 397.483 1.351 20 0 GDADRO C[C@@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824585463 609295579 /nfs/dbraw/zinc/29/55/79/609295579.db2.gz QLJJVKBLHMYABE-CQSZACIVSA-N 1 0 378.436 1.907 20 0 GDADRO COc1cccc([C@@H]2[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000826215789 609337115 /nfs/dbraw/zinc/33/71/15/609337115.db2.gz YVQBNKYPLRTXFM-SJLPKXTDSA-N 1 0 393.451 1.911 20 0 GDADRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1=O ZINC000824899512 609341200 /nfs/dbraw/zinc/34/12/00/609341200.db2.gz KOIBAJWQEUJGLZ-DQYPLSBCSA-N 1 0 392.467 1.366 20 0 GDADRO Cn1cc(C[NH2+]CCCO[C@@H]2CCOC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361883 609341593 /nfs/dbraw/zinc/34/15/93/609341593.db2.gz UCOLMAKNQJLYOX-QGZVFWFLSA-N 1 0 383.456 1.552 20 0 GDADRO Cn1cc(C[NH2+]CCNc2cnccn2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361774 609341675 /nfs/dbraw/zinc/34/16/75/609341675.db2.gz ODFJWZSUVLDYRB-UHFFFAOYSA-N 1 0 376.428 1.259 20 0 GDADRO CC(C)(O)C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000824173425 609358438 /nfs/dbraw/zinc/35/84/38/609358438.db2.gz YPUSOGMLSKGAQG-UHFFFAOYSA-N 1 0 395.305 1.518 20 0 GDADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000823821668 609360475 /nfs/dbraw/zinc/36/04/75/609360475.db2.gz XKXDSQCQLRNVQH-CQSZACIVSA-N 1 0 393.289 1.536 20 0 GDADRO NC(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826393378 609413395 /nfs/dbraw/zinc/41/33/95/609413395.db2.gz POVSQOUJSGZYSA-KRWDZBQOSA-N 1 0 391.435 1.251 20 0 GDADRO CCC(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825034988 609417217 /nfs/dbraw/zinc/41/72/17/609417217.db2.gz VIODULHERQAARB-QGZVFWFLSA-N 1 0 397.483 1.353 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000826249281 609419109 /nfs/dbraw/zinc/41/91/09/609419109.db2.gz TYYRWOZCKIBGPL-SFHVURJKSA-N 1 0 392.463 1.672 20 0 GDADRO C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824514221 609456093 /nfs/dbraw/zinc/45/60/93/609456093.db2.gz NIADEDIFVLQBKJ-WMLDXEAASA-N 1 0 377.452 1.902 20 0 GDADRO Cc1onc(CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1-c1nn[nH]n1 ZINC000826349123 609471529 /nfs/dbraw/zinc/47/15/29/609471529.db2.gz VADLEKSKCGQOSQ-UHFFFAOYSA-N 1 0 381.440 1.983 20 0 GDADRO Cc1cc(C(=O)N(C)C2CC[NH+](C)CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257242 609530363 /nfs/dbraw/zinc/53/03/63/609530363.db2.gz UMWGYGMKIZDEIO-UHFFFAOYSA-N 1 0 380.456 1.527 20 0 GDADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826489843 609539427 /nfs/dbraw/zinc/53/94/27/609539427.db2.gz BHPBDNNKMLUFRX-SNVBAGLBSA-N 1 0 382.877 1.283 20 0 GDADRO Cc1c(Cl)cnc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1-c1nn[nH]n1 ZINC000826239852 609545606 /nfs/dbraw/zinc/54/56/06/609545606.db2.gz RXJJAFWWGKELIJ-NSHDSACASA-N 1 0 378.868 1.223 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824975670 609555778 /nfs/dbraw/zinc/55/57/78/609555778.db2.gz KZGIRXAWSMJAMO-NOZJJQNGSA-N 1 0 382.877 1.281 20 0 GDADRO Cc1c(Cl)cnc(N2CC[NH+](CC3CCOCC3)CC2)c1-c1nn[nH]n1 ZINC000826237901 609556684 /nfs/dbraw/zinc/55/66/84/609556684.db2.gz PKYYEKMFNBCRSM-UHFFFAOYSA-N 1 0 377.880 1.772 20 0 GDADRO Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)c(-c2nn[nH]n2)c1C ZINC000826335960 609560845 /nfs/dbraw/zinc/56/08/45/609560845.db2.gz IEOIVUFQUWLUSC-UHFFFAOYSA-N 1 0 386.504 1.602 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC000532791521 650034110 /nfs/dbraw/zinc/03/41/10/650034110.db2.gz YSFUNJJYWWKINB-MNOVXSKESA-N 1 0 394.950 1.462 20 0 GDADRO CN(C(=O)c1cc(Cn2cc(Br)cn2)on1)[C@@H]1C[NH+]2CCC1CC2 ZINC000533556963 650068101 /nfs/dbraw/zinc/06/81/01/650068101.db2.gz UWVGEYXKDMXIOQ-OAHLLOKOSA-N 1 0 394.273 1.848 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cc(Br)ccc1F ZINC000534525999 650224038 /nfs/dbraw/zinc/22/40/38/650224038.db2.gz IMEPDTKSOOSVLA-UHFFFAOYSA-N 1 0 381.205 1.572 20 0 GDADRO NS(=O)(=O)c1ccc(OCC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000535546835 650249501 /nfs/dbraw/zinc/24/95/01/650249501.db2.gz BVIDLIXRXWUZOG-HOCLYGCPSA-N 1 0 386.539 1.699 20 0 GDADRO 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386.514 1.892 20 0 GDADRO C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000540965226 650374723 /nfs/dbraw/zinc/37/47/23/650374723.db2.gz PXZFJGXNOJWNPI-CHWSQXEVSA-N 1 0 385.555 1.707 20 0 GDADRO C[C@@H](C[S@@](C)=O)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000541410508 650383967 /nfs/dbraw/zinc/38/39/67/650383967.db2.gz UDUKJYYKGYPBRI-ZJWNCGCPSA-N 1 0 383.539 1.057 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1 ZINC000541589916 650387559 /nfs/dbraw/zinc/38/75/59/650387559.db2.gz QMBJSGKBSQDARP-LSDHHAIUSA-N 1 0 390.933 1.792 20 0 GDADRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000541799161 650390904 /nfs/dbraw/zinc/39/09/04/650390904.db2.gz PGUSAWBGHZGCLH-INIZCTEOSA-N 1 0 390.281 1.865 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@H](CCO)c1ccccc1Br ZINC000541953645 650396514 /nfs/dbraw/zinc/39/65/14/650396514.db2.gz PLGDPXMYZLDIHV-CQSZACIVSA-N 1 0 379.320 1.792 20 0 GDADRO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc([S@](C)=O)cc1 ZINC000542048238 650398291 /nfs/dbraw/zinc/39/82/91/650398291.db2.gz UTJDOXABDFCHOD-RZFZLAGVSA-N 1 0 382.507 1.801 20 0 GDADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N(C)CCC(=O)OC)CC1 ZINC000542051300 650398490 /nfs/dbraw/zinc/39/84/90/650398490.db2.gz MSPVWZIGABYQKS-UHFFFAOYSA-N 1 0 377.551 1.560 20 0 GDADRO O=C(CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1ccccc1Br ZINC000543182720 650420431 /nfs/dbraw/zinc/42/04/31/650420431.db2.gz ZHQMNLXLNXTXBJ-ZOWXZIJZSA-N 1 0 396.285 1.207 20 0 GDADRO O=C(CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1ccccc1Br ZINC000543182718 650420445 /nfs/dbraw/zinc/42/04/45/650420445.db2.gz ZHQMNLXLNXTXBJ-SLEUVZQESA-N 1 0 396.285 1.207 20 0 GDADRO Cc1ccc(I)cc1C(=O)NCCOCC[NH+](C)C ZINC000543387473 650421630 /nfs/dbraw/zinc/42/16/30/650421630.db2.gz GNTKAKUQAOMPLO-UHFFFAOYSA-N 1 0 376.238 1.908 20 0 GDADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000544347518 650438148 /nfs/dbraw/zinc/43/81/48/650438148.db2.gz INRJBGWXDURNGN-UHFFFAOYSA-N 1 0 377.894 1.076 20 0 GDADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000544670522 650443650 /nfs/dbraw/zinc/44/36/50/650443650.db2.gz AVKGXEFBBPUIJA-UHFFFAOYSA-N 1 0 375.466 1.421 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000545878984 650464066 /nfs/dbraw/zinc/46/40/66/650464066.db2.gz CVSCHCLTJINAMB-INIZCTEOSA-N 1 0 380.242 1.087 20 0 GDADRO CC(=O)N[C@@H](CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000545881811 650464087 /nfs/dbraw/zinc/46/40/87/650464087.db2.gz OTPLUXGETQHMHJ-RDJZCZTQSA-N 1 0 398.301 1.199 20 0 GDADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cnc(-c3ccccc3)nc2)CCSC1 ZINC000548043478 650529163 /nfs/dbraw/zinc/52/91/63/650529163.db2.gz RAVUGMDFAVHUBY-QGZVFWFLSA-N 1 0 378.523 1.859 20 0 GDADRO CCC[N@H+](C[C@@H](O)COc1ccc(Br)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000549164864 650571219 /nfs/dbraw/zinc/57/12/19/650571219.db2.gz IBWVIWFGEURFDP-UKRRQHHQSA-N 1 0 399.285 1.658 20 0 GDADRO CC(C)[NH+](CCNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000550110898 650589119 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O=C(CC[C@@H]1CC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000563622150 650737389 /nfs/dbraw/zinc/73/73/89/650737389.db2.gz BEJMZTRUPOYSJZ-MLGOLLRUSA-N 1 0 380.286 1.838 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000563885416 650741977 /nfs/dbraw/zinc/74/19/77/650741977.db2.gz SEFLTJHKQBFMNB-GFCCVEGCSA-N 1 0 382.251 2.190 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000564083151 650747732 /nfs/dbraw/zinc/74/77/32/650747732.db2.gz AUIPITXMZRSUBC-RKDXNWHRSA-N 1 0 379.276 1.640 20 0 GDADRO O=S(=O)(NCCC[NH2+]Cc1cnccn1)c1ccccc1Br ZINC000564421523 650757833 /nfs/dbraw/zinc/75/78/33/650757833.db2.gz KGLIZGOEDYJDOK-UHFFFAOYSA-N 1 0 385.287 1.697 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000564735492 650766507 /nfs/dbraw/zinc/76/65/07/650766507.db2.gz RFCQSYMRVNXWCV-NXEZZACHSA-N 1 0 380.297 1.610 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)s1 ZINC000564570175 650761748 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CC(=O)N[C@@H](CC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccc(Br)cc1 ZINC000564996911 650776083 /nfs/dbraw/zinc/77/60/83/650776083.db2.gz ZTTYNEAMIVOLPF-HOTGVXAUSA-N 1 0 397.317 1.036 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000564994700 650776109 /nfs/dbraw/zinc/77/61/09/650776109.db2.gz ATXIVNGQJPTNFZ-RISCZKNCSA-N 1 0 387.299 1.433 20 0 GDADRO COC(=O)[C@H]1CN(c2ncc3scc(Br)c3n2)CC[N@H+](C)C1 ZINC000565224930 650785047 /nfs/dbraw/zinc/78/50/47/650785047.db2.gz AQJYPFVILXIMMG-SECBINFHSA-N 1 0 385.287 1.995 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(Cc3ccc(OC(F)F)c(Br)c3)CCN2C1=O ZINC000565372785 650794185 /nfs/dbraw/zinc/79/41/85/650794185.db2.gz RIAZOCYRPKVSOE-CMPLNLGQSA-N 1 0 390.228 1.794 20 0 GDADRO Cc1c(C(=O)NC[C@@H]2C[NH2+]CCN2C)cnn1-c1ccc(Br)cc1 ZINC000565475782 650798700 /nfs/dbraw/zinc/79/87/00/650798700.db2.gz KRXTTWZCELAYOB-HNNXBMFYSA-N 1 0 392.301 1.577 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000565599480 650804964 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AGUDQCZFAYIRLE-LBPRGKRZSA-N 1 0 379.262 1.771 20 0 GDADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCn2cc(Br)cn2)C[C@@H](C)O1 ZINC000570794739 651055828 /nfs/dbraw/zinc/05/58/28/651055828.db2.gz AEOOQVGWLZRBSQ-NFAWXSAZSA-N 1 0 375.311 1.095 20 0 GDADRO [NH3+]C1(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCC1 ZINC000418091406 645908560 /nfs/dbraw/zinc/90/85/60/645908560.db2.gz PXAFDGUDSZSEGZ-ZDUSSCGKSA-N 1 0 381.274 1.735 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000418095463 645908830 /nfs/dbraw/zinc/90/88/30/645908830.db2.gz VYACWFYXZLMESL-SNVBAGLBSA-N 1 0 381.420 1.906 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000418986602 645910198 /nfs/dbraw/zinc/91/01/98/645910198.db2.gz GMFRDLRVBOWUJK-KRWDZBQOSA-N 1 0 380.286 1.462 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000419396915 645915186 /nfs/dbraw/zinc/91/51/86/645915186.db2.gz DIYRCAYXFSYTIZ-QWRGUYRKSA-N 1 0 389.283 1.469 20 0 GDADRO 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1.795 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000423653727 646139917 /nfs/dbraw/zinc/13/99/17/646139917.db2.gz PMLZAHWPPYZBDB-MNOVXSKESA-N 1 0 386.265 1.755 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000423691297 646143391 /nfs/dbraw/zinc/14/33/91/646143391.db2.gz ISIYIZPUPONDJZ-ZJUUUORDSA-N 1 0 378.420 1.849 20 0 GDADRO C[C@@H]1CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C[C@H]1[NH3+] ZINC000423963389 646147723 /nfs/dbraw/zinc/14/77/23/646147723.db2.gz UTPLPPLVRYKURQ-ZWNOBZJWSA-N 1 0 379.258 1.355 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)NC[C@@H]3C[NH2+]CCO3)CC2=O)ccc1Br ZINC000423993108 646150514 /nfs/dbraw/zinc/15/05/14/646150514.db2.gz PXFALTAAANQXMP-OCCSQVGLSA-N 1 0 396.285 1.215 20 0 GDADRO CN(CC[NH3+])C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000424021765 646153954 /nfs/dbraw/zinc/15/39/54/646153954.db2.gz OEDGHDKXAKEEDN-UHFFFAOYSA-N 1 0 383.495 1.369 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CCCO1 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UPVWHFQVIYUGNF-IUODEOHRSA-N 1 0 391.281 1.326 20 0 GDADRO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1 ZINC000440438268 646242502 /nfs/dbraw/zinc/24/25/02/646242502.db2.gz YAZOJMRXPATAJJ-LBPRGKRZSA-N 1 0 380.491 1.515 20 0 GDADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000440440994 646243433 /nfs/dbraw/zinc/24/34/33/646243433.db2.gz MYMXBHWPFFXKRB-UHFFFAOYSA-N 1 0 393.506 1.207 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc1Br ZINC000440733695 646253398 /nfs/dbraw/zinc/25/33/98/646253398.db2.gz KJHGNLKYCHIBKF-GFCCVEGCSA-N 1 0 378.292 1.669 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000440744260 646254175 /nfs/dbraw/zinc/25/41/75/646254175.db2.gz CLDJUOFMFAGYKA-LDYMZIIASA-N 1 0 381.267 1.955 20 0 GDADRO C[C@H](CCNS(=O)(=O)Cc1cc2c(cc1Br)OCO2)[NH+](C)C ZINC000917236695 660208930 /nfs/dbraw/zinc/20/89/30/660208930.db2.gz BAZZHEOBSFPENC-SNVBAGLBSA-N 1 0 393.303 1.937 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1Cl ZINC000917770234 660221865 /nfs/dbraw/zinc/22/18/65/660221865.db2.gz IPNXSIXNXAWYLK-CQSZACIVSA-N 1 0 389.905 1.592 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)C2)CC1 ZINC000917898794 660224015 /nfs/dbraw/zinc/22/40/15/660224015.db2.gz NYNQGWIMNAIZGM-UHFFFAOYSA-N 1 0 381.395 1.111 20 0 GDADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000903478519 659316659 /nfs/dbraw/zinc/31/66/59/659316659.db2.gz LJEPAHHDSGRCPO-SDDRHHMPSA-N 1 0 376.320 1.906 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000918393822 660235066 /nfs/dbraw/zinc/23/50/66/660235066.db2.gz CMCIGWQHGJJOGS-GFCCVEGCSA-N 1 0 389.905 1.089 20 0 GDADRO O=C(NCc1cnc(Br)cn1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000918856745 660241978 /nfs/dbraw/zinc/24/19/78/660241978.db2.gz AKONFTCKBXKBMG-AWEZNQCLSA-N 1 0 398.305 1.682 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000918954938 660243668 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375.516 1.015 20 0 GDADRO O=C(NCCO)C1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000920209938 660266978 /nfs/dbraw/zinc/26/69/78/660266978.db2.gz IOYSYISUVOPFDJ-ZDUSSCGKSA-N 1 0 391.295 1.554 20 0 GDADRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)cc1F ZINC000444069717 647238504 /nfs/dbraw/zinc/23/85/04/647238504.db2.gz JVLKAPYKKVPZJV-UHFFFAOYSA-N 1 0 384.395 1.827 20 0 GDADRO CSc1ccccc1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000444076251 647239718 /nfs/dbraw/zinc/23/97/18/647239718.db2.gz LLFZOSZKSORBCJ-UHFFFAOYSA-N 1 0 383.539 1.337 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)C2 ZINC000920273995 660268451 /nfs/dbraw/zinc/26/84/51/660268451.db2.gz LSNFBICKZHRXRD-HGTKMLMNSA-N 1 0 391.896 1.632 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccc(Cl)nc3)C2)[C@H]1C(C)C ZINC000920296549 660269377 /nfs/dbraw/zinc/26/93/77/660269377.db2.gz UHCAYZIIHGUWCO-MUIFIZLQSA-N 1 0 387.933 1.883 20 0 GDADRO 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399.289 1.408 20 0 GDADRO C[C@@H]1CN(c2cnn(C)c(=O)c2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000487204125 647944758 /nfs/dbraw/zinc/94/47/58/647944758.db2.gz XCUYURGZUDTVCD-CHWSQXEVSA-N 1 0 384.322 1.005 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000487460679 647954018 /nfs/dbraw/zinc/95/40/18/647954018.db2.gz GSWXFIYFDIKLEA-HUUCEWRRSA-N 1 0 387.933 1.997 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000488545288 647961435 /nfs/dbraw/zinc/96/14/35/647961435.db2.gz NYROWGFSSUOQQS-UHFFFAOYSA-N 1 0 384.458 1.846 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc2cc(Br)ccc2o1 ZINC000495698710 648014929 /nfs/dbraw/zinc/01/49/29/648014929.db2.gz CKTYMULUOKZUKM-UHFFFAOYSA-N 1 0 380.242 1.699 20 0 GDADRO O=C(Cc1ccc(Br)cc1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000496245621 648017706 /nfs/dbraw/zinc/01/77/06/648017706.db2.gz NHVUVSRNTQXTFH-OAHLLOKOSA-N 1 0 394.313 1.662 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)CCNS(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000496688674 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[NH3+]CC1(O)CCN(c2ncnc3ccc(I)cc32)CC1 ZINC000577166181 651711872 /nfs/dbraw/zinc/71/18/72/651711872.db2.gz XIGSIAAXZMGGDV-UHFFFAOYSA-N 1 0 384.221 1.524 20 0 GDADRO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000577228495 651717325 /nfs/dbraw/zinc/71/73/25/651717325.db2.gz VJBHQGOMMRZYPU-JQWIXIFHSA-N 1 0 399.314 1.959 20 0 GDADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000577729631 651747764 /nfs/dbraw/zinc/74/77/64/651747764.db2.gz SQJMULHUIALJML-UHFFFAOYSA-N 1 0 378.878 1.931 20 0 GDADRO O[C@H](C[NH2+][C@H]1CCc2nnnn2CC1)COc1ccc(Br)cc1 ZINC000577742159 651749673 /nfs/dbraw/zinc/74/96/73/651749673.db2.gz AYSLUDALYHZTBN-QWHCGFSZSA-N 1 0 382.262 1.170 20 0 GDADRO CO[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)[C@H](C[NH3+])C1 ZINC000578012709 651764904 /nfs/dbraw/zinc/76/49/04/651764904.db2.gz VPIOBHYMZWMTBO-RYUDHWBXSA-N 1 0 387.889 1.352 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CC3CCC2(C[NH3+])CC3)c1 ZINC000578083143 651772104 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GDADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000578928131 651825738 /nfs/dbraw/zinc/82/57/38/651825738.db2.gz SOJMLSAUPSWXLV-LLVKDONJSA-N 1 0 381.951 1.867 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000578984401 651829567 /nfs/dbraw/zinc/82/95/67/651829567.db2.gz FOXZNJPLEWBAPE-WFASDCNBSA-N 1 0 386.279 1.841 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000579798799 651876602 /nfs/dbraw/zinc/87/66/02/651876602.db2.gz IHTPFYZKAYBXTF-GAQJKIJGSA-N 1 0 384.263 1.764 20 0 GDADRO C[C@@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)C(=O)NCC[NH+](C)C ZINC000579885912 651882897 /nfs/dbraw/zinc/88/28/97/651882897.db2.gz QUWSXKZKUOFQPJ-LLVKDONJSA-N 1 0 395.301 1.655 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000579916514 651884684 /nfs/dbraw/zinc/88/46/84/651884684.db2.gz XVAGWQCMDNYGBX-LSDHHAIUSA-N 1 0 375.535 1.216 20 0 GDADRO CSc1ccc(OC[C@@H](O)C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000579946853 651887563 /nfs/dbraw/zinc/88/75/63/651887563.db2.gz CHVVYYQNBOBGCR-HNNXBMFYSA-N 1 0 388.555 1.409 20 0 GDADRO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NCC[C@H]1CC[NH2+]C1 ZINC000579958946 651888701 /nfs/dbraw/zinc/88/87/01/651888701.db2.gz VXWIDKVQFYYYMJ-LLVKDONJSA-N 1 0 379.404 1.100 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000579957873 651888872 /nfs/dbraw/zinc/88/88/72/651888872.db2.gz XHTFAANAYCDILL-QWRGUYRKSA-N 1 0 395.319 1.878 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000580055096 651892182 /nfs/dbraw/zinc/89/21/82/651892182.db2.gz IYMHAWQWIQUCEQ-GDBMZVCRSA-N 1 0 385.555 1.579 20 0 GDADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580173121 651901612 /nfs/dbraw/zinc/90/16/12/651901612.db2.gz FQFMAEQIJRSHGG-OKILXGFUSA-N 1 0 390.285 1.996 20 0 GDADRO COC[C@@]1(CNC(=O)c2c(F)cccc2I)CCC[NH2+]1 ZINC000580304044 651910235 /nfs/dbraw/zinc/91/02/35/651910235.db2.gz NYAYPSSMNOTABL-AWEZNQCLSA-N 1 0 392.212 1.929 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000580311027 651910706 /nfs/dbraw/zinc/91/07/06/651910706.db2.gz SPPYTCZNSMDWIS-QGZVFWFLSA-N 1 0 380.491 1.337 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1OC ZINC000580325125 651912291 /nfs/dbraw/zinc/91/22/91/651912291.db2.gz PULVTOJPFBBBDT-NEPJUHHUSA-N 1 0 387.889 1.223 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000580330842 651913330 /nfs/dbraw/zinc/91/33/30/651913330.db2.gz WCKWRZQGJXZOGR-UHFFFAOYSA-N 1 0 381.267 1.956 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000580447058 651917183 /nfs/dbraw/zinc/91/71/83/651917183.db2.gz ODMAYJVNIIBNBX-ZWNOBZJWSA-N 1 0 381.420 1.472 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000580447057 651917267 /nfs/dbraw/zinc/91/72/67/651917267.db2.gz ODMAYJVNIIBNBX-MFKMUULPSA-N 1 0 381.420 1.472 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 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GDADRO CN(Cc1ccccc1Br)C(=O)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629561915 653172181 /nfs/dbraw/zinc/17/21/81/653172181.db2.gz KKZWKNFRFBGPJM-MRXNPFEDSA-N 1 0 398.345 1.844 20 0 GDADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000629821004 653183616 /nfs/dbraw/zinc/18/36/16/653183616.db2.gz FJDWBONRLFHWBH-KYOSRNDESA-N 1 0 380.286 1.713 20 0 GDADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000629821315 653184152 /nfs/dbraw/zinc/18/41/52/653184152.db2.gz INXCRAWYEMNYSX-NFAWXSAZSA-N 1 0 394.313 1.974 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)[C@H]1n1cccn1 ZINC000631146409 653230161 /nfs/dbraw/zinc/23/01/61/653230161.db2.gz VICJJWWRLZMVAC-SQWLQELKSA-N 1 0 384.889 1.692 20 0 GDADRO COc1cc(C[NH2+]C[C@]2(OCCO)CCOC2)c(F)cc1Br ZINC000631173718 653230571 /nfs/dbraw/zinc/23/05/71/653230571.db2.gz RUJZUYSVBPGTHF-OAHLLOKOSA-N 1 0 378.238 1.854 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)c2nccn2c1 ZINC000631373380 653235973 /nfs/dbraw/zinc/23/59/73/653235973.db2.gz WTUXNKUKMXJEMH-UHFFFAOYSA-N 1 0 381.274 1.673 20 0 GDADRO O=C1C[C@@H](S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CN1C1CC1 ZINC000631659833 653242691 /nfs/dbraw/zinc/24/26/91/653242691.db2.gz MYROLYIUXOQGIW-HUUCEWRRSA-N 1 0 383.539 1.568 20 0 GDADRO CN(CCOc1cccc(Cl)c1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631682855 653243681 /nfs/dbraw/zinc/24/36/81/653243681.db2.gz JDEYXBMWZMXRFS-UHFFFAOYSA-N 1 0 389.949 1.618 20 0 GDADRO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631701417 653244675 /nfs/dbraw/zinc/24/46/75/653244675.db2.gz OUVVMEDQOVLZBZ-OIBJUYFYSA-N 1 0 387.246 1.763 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC000631785338 653253306 /nfs/dbraw/zinc/25/33/06/653253306.db2.gz OERUXBGGRHKGFA-CQSZACIVSA-N 1 0 389.543 1.061 20 0 GDADRO O=C1[C@H](N2CCC([NH2+]CCO)CC2)CCN1c1cccc(Br)c1 ZINC000631863157 653261748 /nfs/dbraw/zinc/26/17/48/653261748.db2.gz RYHUJAKARNJLRN-MRXNPFEDSA-N 1 0 382.302 1.601 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC([NH2+]CCO)CC1 ZINC000631864765 653261792 /nfs/dbraw/zinc/26/17/92/653261792.db2.gz UWFOILDVTZPRTL-UHFFFAOYSA-N 1 0 390.347 1.515 20 0 GDADRO [NH3+]CCCOC1CCN(S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000631907014 653266307 /nfs/dbraw/zinc/26/63/07/653266307.db2.gz AZWUTBGBSRFATC-UHFFFAOYSA-N 1 0 398.348 1.565 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000631910030 653267242 /nfs/dbraw/zinc/26/72/42/653267242.db2.gz VFHLGUDQPNKITN-WMLDXEAASA-N 1 0 387.933 1.385 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N(Cc1cccc(Br)c1)C1CC1 ZINC000631911767 653267599 /nfs/dbraw/zinc/26/75/99/653267599.db2.gz QYZSDDYSIUFWCT-HNNXBMFYSA-N 1 0 389.315 1.732 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1(c2ccc(Br)cc2)CC1 ZINC000631914713 653268430 /nfs/dbraw/zinc/26/84/30/653268430.db2.gz WADYRBMDSWWUDR-CYBMUJFWSA-N 1 0 375.288 1.346 20 0 GDADRO CCCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631920436 653270705 /nfs/dbraw/zinc/27/07/05/653270705.db2.gz ZKOIWGHASZQMID-HNNXBMFYSA-N 1 0 389.905 1.309 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1csc(CCc2ccccc2)n1 ZINC000631926040 653272032 /nfs/dbraw/zinc/27/20/32/653272032.db2.gz LZGLIOURZATNQB-INIZCTEOSA-N 1 0 381.523 1.336 20 0 GDADRO C[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)Oc1ccc(Br)cc1 ZINC000631924601 653272206 /nfs/dbraw/zinc/27/22/06/653272206.db2.gz ZAFWUXQJUOWBKU-SMDDNHRTSA-N 1 0 393.303 1.124 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000631926759 653272432 /nfs/dbraw/zinc/27/24/32/653272432.db2.gz HWITWOYRJSEAJH-DOTOQJQBSA-N 1 0 381.885 1.732 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631927373 653272755 /nfs/dbraw/zinc/27/27/55/653272755.db2.gz XJIWMKIXWMEEFK-LBPRGKRZSA-N 1 0 390.347 1.898 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000631931960 653273698 /nfs/dbraw/zinc/27/36/98/653273698.db2.gz PBDRMSGUASUEDU-WPRPVWTQSA-N 1 0 388.291 1.158 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000631932055 653273987 /nfs/dbraw/zinc/27/39/87/653273987.db2.gz LHDXOHVWGDGOMT-GZMMTYOYSA-N 1 0 388.291 1.219 20 0 GDADRO COCC1(CNS(=O)(=O)Cc2ncsc2Br)CC[NH2+]CC1 ZINC000631937569 653274965 /nfs/dbraw/zinc/27/49/65/653274965.db2.gz XDRXGAMCKOXDOE-UHFFFAOYSA-N 1 0 398.348 1.341 20 0 GDADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)Cc1ncsc1Br ZINC000631953058 653278376 /nfs/dbraw/zinc/27/83/76/653278376.db2.gz BDJPCVFUZDQAGP-ZCFIWIBFSA-N 1 0 382.227 1.557 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC000631962683 653279897 /nfs/dbraw/zinc/27/98/97/653279897.db2.gz NUNPCENPEUDZCU-UHFFFAOYSA-N 1 0 377.432 1.992 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000631971532 653282285 /nfs/dbraw/zinc/28/22/85/653282285.db2.gz MUQMVFHJSIIHHQ-TXEJJXNPSA-N 1 0 391.490 1.101 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000631982115 653284532 /nfs/dbraw/zinc/28/45/32/653284532.db2.gz OKTIRWGWXYMKRC-CYBMUJFWSA-N 1 0 377.457 1.738 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC000631987865 653285523 /nfs/dbraw/zinc/28/55/23/653285523.db2.gz QVBMRCXRUAWBTH-IAGOWNOFSA-N 1 0 375.579 1.385 20 0 GDADRO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631993722 653286584 /nfs/dbraw/zinc/28/65/84/653286584.db2.gz YHDGXGSZBCWCOZ-YPMHNXCESA-N 1 0 379.404 1.785 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000632060785 653297647 /nfs/dbraw/zinc/29/76/47/653297647.db2.gz WFTAZONIFGATDY-LLVKDONJSA-N 1 0 384.424 1.550 20 0 GDADRO Cn1c2ccc(S(=O)(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2sc1=O ZINC000632112312 653307339 /nfs/dbraw/zinc/30/73/39/653307339.db2.gz UBBZIOMJQHBMFN-JSGCOSHPSA-N 1 0 381.523 1.705 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3ncsc3Br)[C@H]2C1 ZINC000632188871 653314013 /nfs/dbraw/zinc/31/40/13/653314013.db2.gz WMDUURGPQXHMEW-ONGXEEELSA-N 1 0 380.333 1.761 20 0 GDADRO CN1CC[NH+](CC2(C)CCN(S(=O)(=O)C[C@H]3CCC3(F)F)CC2)CC1 ZINC000632206261 653316424 /nfs/dbraw/zinc/31/64/24/653316424.db2.gz FYAMISLBUZKDIJ-OAHLLOKOSA-N 1 0 379.517 1.711 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000632334194 653339294 /nfs/dbraw/zinc/33/92/94/653339294.db2.gz ZFNYKPBRGWVURA-UHFFFAOYSA-N 1 0 376.910 1.144 20 0 GDADRO CCC1CCC(N(CCO)S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000632341755 653341558 /nfs/dbraw/zinc/34/15/58/653341558.db2.gz UNTAMYVTWPDQCT-UHFFFAOYSA-N 1 0 375.579 1.217 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632341051 653341607 /nfs/dbraw/zinc/34/16/07/653341607.db2.gz WOKLDLOTISDBEB-UHFFFAOYSA-N 1 0 378.926 1.709 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1OC ZINC000632368831 653347415 /nfs/dbraw/zinc/34/74/15/653347415.db2.gz KGPWHLLWKLDSAO-MFKMUULPSA-N 1 0 389.905 1.421 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000632382461 653350046 /nfs/dbraw/zinc/35/00/46/653350046.db2.gz RSGUDYLFRHVJED-LBPRGKRZSA-N 1 0 376.906 1.936 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CC(C[NH+](C)C)C2)s1 ZINC000632382424 653350054 /nfs/dbraw/zinc/35/00/54/653350054.db2.gz QIZUOYZSNGDVTM-UHFFFAOYSA-N 1 0 387.571 1.635 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000632418161 653354587 /nfs/dbraw/zinc/35/45/87/653354587.db2.gz ZIXIOGQSTPYVLZ-QMMMGPOBSA-N 1 0 376.280 1.029 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000632593722 653380748 /nfs/dbraw/zinc/38/07/48/653380748.db2.gz DUKVMXBUBZJCSK-INIZCTEOSA-N 1 0 375.922 1.416 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000632597626 653381643 /nfs/dbraw/zinc/38/16/43/653381643.db2.gz YITIURPDFPKKAW-CYBMUJFWSA-N 1 0 377.869 1.456 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000632597627 653381712 /nfs/dbraw/zinc/38/17/12/653381712.db2.gz YITIURPDFPKKAW-ZDUSSCGKSA-N 1 0 377.869 1.456 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000632953460 653416065 /nfs/dbraw/zinc/41/60/65/653416065.db2.gz SFQITHJXSHBRQK-GHMZBOCLSA-N 1 0 384.278 1.634 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000632995777 653418258 /nfs/dbraw/zinc/41/82/58/653418258.db2.gz RVSMRQRGTGKXJB-CQSZACIVSA-N 1 0 387.297 1.975 20 0 GDADRO O=C(Nc1cccc2cncc(Br)c21)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633022158 653420299 /nfs/dbraw/zinc/42/02/99/653420299.db2.gz FCQPKPCSDUIRMI-QWRGUYRKSA-N 1 0 375.226 1.509 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633024349 653420733 /nfs/dbraw/zinc/42/07/33/653420733.db2.gz WJEHAGHKGODJOY-IUCAKERBSA-N 1 0 386.221 1.498 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000633026619 653421609 /nfs/dbraw/zinc/42/16/09/653421609.db2.gz UVBWXROSVFZXKW-GHMZBOCLSA-N 1 0 384.274 1.840 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633031391 653421935 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GDADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646086168 653608796 /nfs/dbraw/zinc/60/87/96/653608796.db2.gz BNZLJBPRGXUNGB-NWDGAFQWSA-N 1 0 378.274 1.972 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc2c(c(Br)c1)OCO2 ZINC000646121673 653608952 /nfs/dbraw/zinc/60/89/52/653608952.db2.gz QJIRKNMNXOKNDO-LBPRGKRZSA-N 1 0 382.258 1.298 20 0 GDADRO Cn1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(-c2ccc(Cl)s2)n1 ZINC000646364716 653610019 /nfs/dbraw/zinc/61/00/19/653610019.db2.gz GGGVDAXGHKUPHT-GFCCVEGCSA-N 1 0 379.917 1.922 20 0 GDADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000646457749 653610268 /nfs/dbraw/zinc/61/02/68/653610268.db2.gz CQQDOXJYIBDOQX-AWEZNQCLSA-N 1 0 396.329 1.922 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CCO1 ZINC000646859039 653615179 /nfs/dbraw/zinc/61/51/79/653615179.db2.gz HGGYBTHEBXYFQP-QWHCGFSZSA-N 1 0 387.527 1.111 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)CN3C(=O)c4ccc(Br)cc4C3=O)[C@@H]2C1 ZINC000646928541 653616775 /nfs/dbraw/zinc/61/67/75/653616775.db2.gz ZVQIPAZOFQYJGR-QMTHXVAHSA-N 1 0 392.253 1.208 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO1 ZINC000647233685 653623799 /nfs/dbraw/zinc/62/37/99/653623799.db2.gz CEQKREAAKPKPCN-UFBFGSQYSA-N 1 0 383.695 1.839 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CCO1 ZINC000647234727 653623919 /nfs/dbraw/zinc/62/39/19/653623919.db2.gz YZHYQMVXGNCSGV-BQBZGAKWSA-N 1 0 389.724 1.901 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CCO1 ZINC000647235190 653624229 /nfs/dbraw/zinc/62/42/29/653624229.db2.gz RAUOBPSIQHYZCU-TVQRCGJNSA-N 1 0 397.722 1.980 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000647280010 653625158 /nfs/dbraw/zinc/62/51/58/653625158.db2.gz NCKPVSXYNJHTLB-ZIAGYGMSSA-N 1 0 377.304 1.717 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000647293493 653625369 /nfs/dbraw/zinc/62/53/69/653625369.db2.gz KRZCXQOSXHBHKW-STQMWFEESA-N 1 0 398.909 1.205 20 0 GDADRO Cn1cc(C[C@@H](CO)C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)cn1 ZINC000647535505 653628457 /nfs/dbraw/zinc/62/84/57/653628457.db2.gz XPBJUHHKXHIRLB-KGLIPLIRSA-N 1 0 388.295 1.907 20 0 GDADRO C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)[C@@H]1C[NH3+] ZINC000647822392 653635214 /nfs/dbraw/zinc/63/52/14/653635214.db2.gz SYLOCLFJRXQJJQ-ZWNOBZJWSA-N 1 0 394.324 1.858 20 0 GDADRO CC1(OCC(=O)NC2(c3ccc(Br)cc3)CCOCC2)C[NH2+]C1 ZINC000648010384 653637342 /nfs/dbraw/zinc/63/73/42/653637342.db2.gz YXFCDVLUYRWESL-UHFFFAOYSA-N 1 0 383.286 1.950 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc2c(c(Br)c1)OCO2 ZINC000648063930 653638113 /nfs/dbraw/zinc/63/81/13/653638113.db2.gz GYXJZAYBWORSHB-NSHDSACASA-N 1 0 384.274 1.730 20 0 GDADRO CC[C@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000648125524 653639549 /nfs/dbraw/zinc/63/95/49/653639549.db2.gz QJJHZARBMIUYSD-FZMZJTMJSA-N 1 0 389.315 1.809 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)C1(C[NH3+])CCC1 ZINC000648147235 653640223 /nfs/dbraw/zinc/64/02/23/653640223.db2.gz ISNKHXIOCGIDPT-UHFFFAOYSA-N 1 0 396.332 1.129 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648206792 653641062 /nfs/dbraw/zinc/64/10/62/653641062.db2.gz MIOSOEIZGLFIBF-HNNXBMFYSA-N 1 0 385.917 1.799 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c2ccc(Br)cc2nn1C ZINC000648774141 653654886 /nfs/dbraw/zinc/65/48/86/653654886.db2.gz LNQGECAFUIBXQK-GFCCVEGCSA-N 1 0 394.317 1.702 20 0 GDADRO C[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)n1cc(Br)cn1 ZINC000648780435 653655072 /nfs/dbraw/zinc/65/50/72/653655072.db2.gz JBPXHEXJCFAEOW-HIFRSBDPSA-N 1 0 398.349 1.881 20 0 GDADRO Cc1ccc(CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(Br)c1 ZINC000649068322 653662880 /nfs/dbraw/zinc/66/28/80/653662880.db2.gz DPPNBKYVCRYLSJ-CYBMUJFWSA-N 1 0 382.302 1.878 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649071602 653663453 /nfs/dbraw/zinc/66/34/53/653663453.db2.gz NOVGDDPQJZRIPS-LLVKDONJSA-N 1 0 399.289 1.353 20 0 GDADRO Cc1ccc(CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1Br ZINC000649071860 653663477 /nfs/dbraw/zinc/66/34/77/653663477.db2.gz UBDDMXJHVFPJPV-CYBMUJFWSA-N 1 0 382.302 1.878 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1cccc(Cl)c1Br ZINC000649422439 653667397 /nfs/dbraw/zinc/66/73/97/653667397.db2.gz VHRSURDYGVFPRN-UHFFFAOYSA-N 1 0 396.738 1.628 20 0 GDADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC1 ZINC000650158061 653685060 /nfs/dbraw/zinc/68/50/60/653685060.db2.gz RCGPGAIZINRHCD-UHFFFAOYSA-N 1 0 386.539 1.515 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1=O ZINC000650304414 653690464 /nfs/dbraw/zinc/69/04/64/653690464.db2.gz OFJVEVPBZBERCQ-UHFFFAOYSA-N 1 0 396.329 1.959 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)NCCc2cccc(Br)c2)CC1=O ZINC000651148842 653812684 /nfs/dbraw/zinc/81/26/84/653812684.db2.gz FHIROXZCNBIADB-UHFFFAOYSA-N 1 0 397.317 1.407 20 0 GDADRO Cc1cc(Br)sc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000651659564 653842483 /nfs/dbraw/zinc/84/24/83/653842483.db2.gz JLVSRRVACOMAAM-UHFFFAOYSA-N 1 0 382.349 1.345 20 0 GDADRO CCO[C@@H]1CN(C(=O)NCc2cc(Br)ccc2OC)C[C@H]1C[NH3+] ZINC000652143352 653882336 /nfs/dbraw/zinc/88/23/36/653882336.db2.gz XUQHOOLWNGTBMH-IUODEOHRSA-N 1 0 386.290 1.963 20 0 GDADRO CCO[C@@H]1CN(C(=O)NCc2ccc(OC)c(Br)c2)C[C@H]1C[NH3+] ZINC000652144781 653882997 /nfs/dbraw/zinc/88/29/97/653882997.db2.gz SNGWTVGQJCHUTK-IUODEOHRSA-N 1 0 386.290 1.963 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H](CO)CCF)cc1Cl ZINC000652186946 653884351 /nfs/dbraw/zinc/88/43/51/653884351.db2.gz ZDEOGQCOYOSYLM-GFCCVEGCSA-N 1 0 375.828 1.056 20 0 GDADRO C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000652258970 653886326 /nfs/dbraw/zinc/88/63/26/653886326.db2.gz BQBJVRDMFNXCHS-UJNFCWOMSA-N 1 0 376.276 1.011 20 0 GDADRO O=S(=O)(NCC[NH2+]C1CCCCCC1)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000652366447 653888393 /nfs/dbraw/zinc/88/83/93/653888393.db2.gz VUMCCYYFCORIOO-UHFFFAOYSA-N 1 0 386.539 1.706 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C[C@H]1C[NH3+] ZINC000652636124 653894610 /nfs/dbraw/zinc/89/46/10/653894610.db2.gz WVHYNFUOUWIZIY-TZMCWYRMSA-N 1 0 398.301 1.827 20 0 GDADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653078681 653905250 /nfs/dbraw/zinc/90/52/50/653905250.db2.gz HXQYCRZSVWAVJP-MMPTUQATSA-N 1 0 375.252 1.085 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000653168932 653907474 /nfs/dbraw/zinc/90/74/74/653907474.db2.gz UQNCUDASHTZBTQ-HNNXBMFYSA-N 1 0 399.333 1.181 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000653160550 653907610 /nfs/dbraw/zinc/90/76/10/653907610.db2.gz MJHWCNUYVKORHW-LBPRGKRZSA-N 1 0 382.262 1.394 20 0 GDADRO CO[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)c1ccccc1Br ZINC000654407602 653935464 /nfs/dbraw/zinc/93/54/64/653935464.db2.gz PDALGDOJOFZTGR-MRXNPFEDSA-N 1 0 384.318 1.842 20 0 GDADRO CC(C)(C)NS(=O)(=O)CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000654479256 653937591 /nfs/dbraw/zinc/93/75/91/653937591.db2.gz UTVHNINUHOKMDF-CQSZACIVSA-N 1 0 377.576 1.038 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)CC1CCN(S(C)(=O)=O)CC1)CC(C)C ZINC000654778410 653945237 /nfs/dbraw/zinc/94/52/37/653945237.db2.gz AARLSKLWNNZYIC-KRWDZBQOSA-N 1 0 375.579 1.921 20 0 GDADRO CO[C@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1Br ZINC000654783984 653945964 /nfs/dbraw/zinc/94/59/64/653945964.db2.gz OBWFRYKOJYRBLF-CJNGLKHVSA-N 1 0 384.318 1.889 20 0 GDADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299765 653964208 /nfs/dbraw/zinc/96/42/08/653964208.db2.gz PYBCBLFKZYIHHZ-JKSUJKDBSA-N 1 0 391.269 1.526 20 0 GDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCOc2cccc(Br)c2C1 ZINC000655319231 653964834 /nfs/dbraw/zinc/96/48/34/653964834.db2.gz CYHGERICFSSMMZ-OAHLLOKOSA-N 1 0 380.286 1.560 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655352675 653967247 /nfs/dbraw/zinc/96/72/47/653967247.db2.gz OAHDVPNZRVUYEV-NWDGAFQWSA-N 1 0 391.946 1.813 20 0 GDADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C(F)(F)F ZINC000655508684 653972692 /nfs/dbraw/zinc/97/26/92/653972692.db2.gz CDCMNBJLSADQKP-GZMMTYOYSA-N 1 0 394.191 1.808 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)C2)s1 ZINC000655510359 653972917 /nfs/dbraw/zinc/97/29/17/653972917.db2.gz WBWVLKVBKCLBPC-QWRGUYRKSA-N 1 0 399.460 1.463 20 0 GDADRO Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc12 ZINC000655513160 653973310 /nfs/dbraw/zinc/97/33/10/653973310.db2.gz QQUMVGOFCWPIPQ-XVKPBYJWSA-N 1 0 377.392 1.067 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C1 ZINC000655632337 653981898 /nfs/dbraw/zinc/98/18/98/653981898.db2.gz JYMSVMSVRAQFRE-VDISTLRHSA-N 1 0 394.946 1.503 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655670238 653987796 /nfs/dbraw/zinc/98/77/96/653987796.db2.gz WYBWTVXNHKMXEY-IAGOWNOFSA-N 1 0 386.539 1.526 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F 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O=C(CNC(=O)Cn1ccc2ccc(Br)cc21)NCC[NH2+]C1CC1 ZINC000659294436 654220906 /nfs/dbraw/zinc/22/09/06/654220906.db2.gz JMEFBUCZKQUIIN-UHFFFAOYSA-N 1 0 393.285 1.388 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC[C@H]1F ZINC000659388827 654224660 /nfs/dbraw/zinc/22/46/60/654224660.db2.gz FFMBAFDTXVOQEE-UPJWGTAASA-N 1 0 375.491 1.189 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659427132 654226758 /nfs/dbraw/zinc/22/67/58/654226758.db2.gz KUBKVJVMXSQAIS-VXGBXAGGSA-N 1 0 387.253 1.777 20 0 GDADRO [NH3+]C1(CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)CCCC1 ZINC000659572378 654229186 /nfs/dbraw/zinc/22/91/86/654229186.db2.gz GRLSVAVYIURZKP-CQSZACIVSA-N 1 0 395.301 1.903 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC2(c3cccc(Br)c3)CC2)n1 ZINC000659632330 654230404 /nfs/dbraw/zinc/23/04/04/654230404.db2.gz VSRVDDISQHCUBC-UHFFFAOYSA-N 1 0 392.257 1.892 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000659634926 654230826 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GDADRO CC[C@H]([NH2+]C)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000662339963 654293657 /nfs/dbraw/zinc/29/36/57/654293657.db2.gz RVMHPZQJLWUAOU-ZDUSSCGKSA-N 1 0 394.324 1.824 20 0 GDADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000662483054 654296586 /nfs/dbraw/zinc/29/65/86/654296586.db2.gz IEXLSRDOLNUURK-BXUZGUMPSA-N 1 0 386.279 1.642 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2COc3ccc(Br)cc32)n1 ZINC000662751909 654301445 /nfs/dbraw/zinc/30/14/45/654301445.db2.gz WGHZXGKRRXDJSI-LLVKDONJSA-N 1 0 379.214 1.196 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C2(c3cccc(Br)c3)CC2)n1 ZINC000662751708 654301525 /nfs/dbraw/zinc/30/15/25/654301525.db2.gz CISSLSOQJMGSHL-UHFFFAOYSA-N 1 0 377.242 1.751 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nn1C ZINC000662839820 654305004 /nfs/dbraw/zinc/30/50/04/654305004.db2.gz ZDZXXUOEPVPJLT-SECBINFHSA-N 1 0 385.877 1.146 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@]23C[C@H]2CCC3)c(C)c[nH+]1 ZINC000662860547 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C[NH+](C)CC1(CNC(=S)NCc2ccc(S(N)(=O)=O)cc2)CCCC1 ZINC000758941883 655074274 /nfs/dbraw/zinc/07/42/74/655074274.db2.gz SGOIAAVSNQDFND-UHFFFAOYSA-N 1 0 384.571 1.420 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000834631882 655074903 /nfs/dbraw/zinc/07/49/03/655074903.db2.gz HYMHBAFZRROXIO-WFASDCNBSA-N 1 0 385.917 1.852 20 0 GDADRO [NH3+]CC[C@H](NC(=O)c1cccn2c(I)cnc12)C(F)F ZINC000834830150 655080313 /nfs/dbraw/zinc/08/03/13/655080313.db2.gz JAGWIPNBYRJZSP-QMMMGPOBSA-N 1 0 394.163 1.651 20 0 GDADRO C[C@H](CCCO)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834871794 655081623 /nfs/dbraw/zinc/08/16/23/655081623.db2.gz SMPFQELWJKDGQB-KGLIPLIRSA-N 1 0 392.543 1.471 20 0 GDADRO Cn1cc(I)c(C[NH2+]C2CCC3(CC2)OCCO3)n1 ZINC000834899557 655082309 /nfs/dbraw/zinc/08/23/09/655082309.db2.gz KRVAOSIJMUDDET-UHFFFAOYSA-N 1 0 377.226 1.800 20 0 GDADRO O=C(CS[C@H]1CCS(=O)(=O)C1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000759624478 655090909 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CCC[N@H+](CC)CCNC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000760697217 655124346 /nfs/dbraw/zinc/12/43/46/655124346.db2.gz MRWVGYJIULRCOR-ZDUSSCGKSA-N 1 0 390.937 1.640 20 0 GDADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000809521628 655129914 /nfs/dbraw/zinc/12/99/14/655129914.db2.gz PJVZRFLLEOGJQG-JKJDWNRSSA-N 1 0 385.599 1.861 20 0 GDADRO O=C(CN1CC[C@@H](C(F)(F)F)C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000761053562 655132224 /nfs/dbraw/zinc/13/22/24/655132224.db2.gz ZXWBIVREJHNVSI-GFCCVEGCSA-N 1 0 375.416 1.917 20 0 GDADRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000809688083 655135155 /nfs/dbraw/zinc/13/51/55/655135155.db2.gz ABBQRDDNOLUDRP-LSDHHAIUSA-N 1 0 375.535 1.742 20 0 GDADRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000836225335 655136609 /nfs/dbraw/zinc/13/66/09/655136609.db2.gz IOBUNLMGJVIZRG-QGZVFWFLSA-N 1 0 377.491 1.702 20 0 GDADRO COCC[N@@H+]1CC[C@@H](N2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)C1 ZINC000761257900 655139272 /nfs/dbraw/zinc/13/92/72/655139272.db2.gz SYRDYXZFDDNSLJ-ZIAGYGMSSA-N 1 0 382.258 1.763 20 0 GDADRO COCC[N@@H+]1CC[C@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)C1 ZINC000761259258 655139325 /nfs/dbraw/zinc/13/93/25/655139325.db2.gz XAOITQIZQSWENC-HNNXBMFYSA-N 1 0 396.285 1.934 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1nc2cc(Br)ccn2n1 ZINC000836735804 655152813 /nfs/dbraw/zinc/15/28/13/655152813.db2.gz QVHNPBXRVSGQPR-VXGBXAGGSA-N 1 0 395.261 1.477 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)nc1 ZINC000810218600 655153807 /nfs/dbraw/zinc/15/38/07/655153807.db2.gz JSQRNXZOANQIQP-HOCLYGCPSA-N 1 0 383.334 1.901 20 0 GDADRO COc1ccc(CS(C)(=O)=O)cc1NC(=S)NCC1CC[NH+](C)CC1 ZINC000795115106 655162296 /nfs/dbraw/zinc/16/22/96/655162296.db2.gz VMYWQLOWHZTVTH-UHFFFAOYSA-N 1 0 385.555 1.868 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000795131382 655163101 /nfs/dbraw/zinc/16/31/01/655163101.db2.gz JJBUTFKYZTUKKM-ZIAGYGMSSA-N 1 0 378.608 1.146 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000762556804 655169891 /nfs/dbraw/zinc/16/98/91/655169891.db2.gz WCHQNWGDGLSDKY-VIIAAUOXSA-N 1 0 375.288 1.406 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c(F)cc1Cl ZINC000795912386 655195427 /nfs/dbraw/zinc/19/54/27/655195427.db2.gz GYYMCMAHHSEYOL-UHFFFAOYSA-N 1 0 376.837 1.806 20 0 GDADRO CO[C@]1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCOC1 ZINC000763478620 655195639 /nfs/dbraw/zinc/19/56/39/655195639.db2.gz DZTLYHISUYBVGZ-WFASDCNBSA-N 1 0 377.894 1.100 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000796114598 655203536 /nfs/dbraw/zinc/20/35/36/655203536.db2.gz MLUSUTBRYJMTLO-RYUDHWBXSA-N 1 0 387.889 1.769 20 0 GDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCO[C@H](c2ccccc2Br)C1 ZINC000764086414 655207906 /nfs/dbraw/zinc/20/79/06/655207906.db2.gz JKILVFYZQPHBFX-IRXDYDNUSA-N 1 0 394.313 1.739 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000796255866 655208853 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COc1cc([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)ccc1S(=O)(=O)C(F)F ZINC000764752255 655222403 /nfs/dbraw/zinc/22/24/03/655222403.db2.gz WHAVTQZOUUYURC-WDEREUQCSA-N 1 0 397.465 1.777 20 0 GDADRO CCn1ncc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)n1 ZINC000838969365 655233800 /nfs/dbraw/zinc/23/38/00/655233800.db2.gz WSCPHGJFPGSBAQ-UHFFFAOYSA-N 1 0 383.543 1.866 20 0 GDADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000765280033 655237247 /nfs/dbraw/zinc/23/72/47/655237247.db2.gz NPKAPYOKDPIAGC-UHFFFAOYSA-N 1 0 380.432 1.932 20 0 GDADRO Cn1nnc(Br)c1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000813472222 655237293 /nfs/dbraw/zinc/23/72/93/655237293.db2.gz QZQWGPIQRJKHNP-UHFFFAOYSA-N 1 0 394.273 1.787 20 0 GDADRO CCCc1nnc(SCC(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)n1N ZINC000813517179 655238206 /nfs/dbraw/zinc/23/82/06/655238206.db2.gz QJBPBGYPZPQYSK-OLZOCXBDSA-N 1 0 384.575 1.075 20 0 GDADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000765409156 655239219 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Cc1c(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cnc(Cl)c1Br ZINC000841233790 655316150 /nfs/dbraw/zinc/31/61/50/655316150.db2.gz HJZLMGODPHLRLF-AWEZNQCLSA-N 1 0 389.681 1.942 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000841249035 655317208 /nfs/dbraw/zinc/31/72/08/655317208.db2.gz KNEJCAWFYCPCBC-UHFFFAOYSA-N 1 0 381.274 1.693 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cnc(Cl)c1Br ZINC000841262622 655318241 /nfs/dbraw/zinc/31/82/41/655318241.db2.gz XBBIZKPNGQVISQ-BDAKNGLRSA-N 1 0 389.681 1.988 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)C[C@H]1[NH3+] ZINC000841270603 655318251 /nfs/dbraw/zinc/31/82/51/655318251.db2.gz AXCYXHJNQSYEJG-HTRCEHHLSA-N 1 0 395.179 1.607 20 0 GDADRO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841323829 655319001 /nfs/dbraw/zinc/31/90/01/655319001.db2.gz QKTDRRLXZVPZBK-HZSPNIEDSA-N 1 0 380.543 1.387 20 0 GDADRO CN(CCN(C)S(=O)(=O)c1cccc2scnc21)C1CC[NH+](C)CC1 ZINC000841477844 655326806 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GDADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000817989424 655363473 /nfs/dbraw/zinc/36/34/73/655363473.db2.gz LGEJJSCSSYHZOC-CABCVRRESA-N 1 0 398.301 1.281 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000817990908 655363595 /nfs/dbraw/zinc/36/35/95/655363595.db2.gz DLDXEEYNHWSKMY-TYNCELHUSA-N 1 0 398.301 1.150 20 0 GDADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000817995086 655364085 /nfs/dbraw/zinc/36/40/85/655364085.db2.gz VZOSKXQYZVKQIL-CQSZACIVSA-N 1 0 398.301 1.281 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000818008790 655364426 /nfs/dbraw/zinc/36/44/26/655364426.db2.gz ZNEDJLHDXDMNML-GFCCVEGCSA-N 1 0 389.905 1.087 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000842476522 655366507 /nfs/dbraw/zinc/36/65/07/655366507.db2.gz QJWNGWOKZVFNKC-UEKVPHQBSA-N 1 0 375.441 1.598 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c(C)c1Cl 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[NH3+]C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C1CCCCC1 ZINC000842722372 655373530 /nfs/dbraw/zinc/37/35/30/655373530.db2.gz OQQMQUWVBXXWPG-GFCCVEGCSA-N 1 0 396.481 1.869 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)ccc1Br ZINC000842723921 655373646 /nfs/dbraw/zinc/37/36/46/655373646.db2.gz KOMZJUOLVHPLLZ-GFCCVEGCSA-N 1 0 379.276 1.497 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)s1 ZINC000842728506 655374105 /nfs/dbraw/zinc/37/41/05/655374105.db2.gz HQFPSVVEADMDPX-QMMMGPOBSA-N 1 0 383.289 1.313 20 0 GDADRO Cn1cc([C@@H]2CN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000818429886 655374224 /nfs/dbraw/zinc/37/42/24/655374224.db2.gz INEOIGHFFRTWAC-CMPLNLGQSA-N 1 0 376.269 1.237 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1Cl ZINC000842747129 655375095 /nfs/dbraw/zinc/37/50/95/655375095.db2.gz IGAKWURHKADLNB-NSHDSACASA-N 1 0 378.903 1.259 20 0 GDADRO CC[NH2+]CC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000818516283 655375675 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GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000842817185 655379023 /nfs/dbraw/zinc/37/90/23/655379023.db2.gz SVRWTOHPKJHFJK-AOOOYVTPSA-N 1 0 389.271 1.076 20 0 GDADRO CC1(CNS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000842826734 655379878 /nfs/dbraw/zinc/37/98/78/655379878.db2.gz BYCSQFLTQJQRMF-UHFFFAOYSA-N 1 0 379.404 1.855 20 0 GDADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC4(C3)CC[NH2+]CC4)cc2N1 ZINC000842826418 655379890 /nfs/dbraw/zinc/37/98/90/655379890.db2.gz QIZSHJNGVWKCDP-UHFFFAOYSA-N 1 0 383.901 1.989 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842834917 655380356 /nfs/dbraw/zinc/38/03/56/655380356.db2.gz CJSZKNIKTMFJCO-BXKDBHETSA-N 1 0 386.417 1.256 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)ccc1Cl ZINC000842866766 655381507 /nfs/dbraw/zinc/38/15/07/655381507.db2.gz JMYIFYVBCYZDNJ-HAQNSBGRSA-N 1 0 394.946 1.787 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000842869312 655381675 /nfs/dbraw/zinc/38/16/75/655381675.db2.gz JEMROHQQVTYEHY-LBPRGKRZSA-N 1 0 391.287 1.594 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000842872232 655381898 /nfs/dbraw/zinc/38/18/98/655381898.db2.gz CCZOAHQXHMRRTE-UHFFFAOYSA-N 1 0 385.917 1.806 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000818947480 655382111 /nfs/dbraw/zinc/38/21/11/655382111.db2.gz FGHBGWYCJQKJPS-CQSZACIVSA-N 1 0 377.304 1.496 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c(F)cc1Br ZINC000842882639 655382481 /nfs/dbraw/zinc/38/24/81/655382481.db2.gz RRSKHEJHQJNRNV-RNFRBKRXSA-N 1 0 383.239 1.389 20 0 GDADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000842882202 655382530 /nfs/dbraw/zinc/38/25/30/655382530.db2.gz DZQCWLIIMVVXRK-SSDOTTSWSA-N 1 0 383.239 1.390 20 0 GDADRO Cn1c(Cl)ncc1S(=O)(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000842891443 655382984 /nfs/dbraw/zinc/38/29/84/655382984.db2.gz OWCLUWSRFRTYBX-GXTWGEPZSA-N 1 0 386.880 1.884 20 0 GDADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)cc1 ZINC000842893013 655383272 /nfs/dbraw/zinc/38/32/72/655383272.db2.gz RGUUWHQDBPJCDS-UHFFFAOYSA-N 1 0 390.527 1.002 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)s1 ZINC000842895432 655383500 /nfs/dbraw/zinc/38/35/00/655383500.db2.gz NPMBTYJCRXPUGO-LBPRGKRZSA-N 1 0 375.516 1.457 20 0 GDADRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000819051140 655383937 /nfs/dbraw/zinc/38/39/37/655383937.db2.gz NGHVMLXNRWHQMN-CQSZACIVSA-N 1 0 378.535 1.455 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCCCCC[NH3+])cc1F ZINC000842918664 655384200 /nfs/dbraw/zinc/38/42/00/655384200.db2.gz HENKSLXJEWQLGN-UHFFFAOYSA-N 1 0 395.522 1.775 20 0 GDADRO CSCC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000819089152 655385423 /nfs/dbraw/zinc/38/54/23/655385423.db2.gz YZZWVHDLLDRNDN-CYBMUJFWSA-N 1 0 394.584 1.442 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C(=O)N1c1cnn(C)c1 ZINC000819121676 655386631 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O=S(=O)(C[C@H](O)C[NH2+]C[C@H](O)c1c(F)cccc1F)c1cccs1 ZINC000843098548 655388459 /nfs/dbraw/zinc/38/84/59/655388459.db2.gz PHYYXJBAFWEXMO-MFKMUULPSA-N 1 0 377.434 1.484 20 0 GDADRO C[C@@](O)(C[NH2+][C@@H](CO)CN1CCOCC1)c1ccc(Br)cc1F ZINC000843111533 655388650 /nfs/dbraw/zinc/38/86/50/655388650.db2.gz FZBRDUVFOMUYPF-CZUORRHYSA-N 1 0 391.281 1.078 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000843112108 655388749 /nfs/dbraw/zinc/38/87/49/655388749.db2.gz PPILYAFYBVGCPU-AWEZNQCLSA-N 1 0 395.880 1.859 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]CCC2CS(=O)(=O)C2)CC1 ZINC000819255796 655388802 /nfs/dbraw/zinc/38/88/02/655388802.db2.gz DLCVUUQDPTXKBO-HNNXBMFYSA-N 1 0 376.519 1.019 20 0 GDADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000819255774 655388844 /nfs/dbraw/zinc/38/88/44/655388844.db2.gz DAFPZJGTDXDWQD-NSHDSACASA-N 1 0 378.516 1.517 20 0 GDADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000819256006 655388874 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GDADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000819360412 655390548 /nfs/dbraw/zinc/39/05/48/655390548.db2.gz JAGXHIINMDUIDY-UONOGXRCSA-N 1 0 376.519 1.209 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)C1 ZINC000843288545 655390847 /nfs/dbraw/zinc/39/08/47/655390847.db2.gz OJBONHIQMRMLGZ-STQMWFEESA-N 1 0 388.921 1.250 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843345178 655393055 /nfs/dbraw/zinc/39/30/55/655393055.db2.gz YDPZEFCETYXRCW-NWDGAFQWSA-N 1 0 376.910 1.282 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000843350896 655393324 /nfs/dbraw/zinc/39/33/24/655393324.db2.gz AWHISRDMICEUPT-UHFFFAOYSA-N 1 0 377.894 1.769 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000843380048 655393996 /nfs/dbraw/zinc/39/39/96/655393996.db2.gz NLVLGBCAZWBQOF-JQWIXIFHSA-N 1 0 379.404 1.253 20 0 GDADRO O=C(CN1CC[NH2+]C[C@@H]1C(F)F)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000843385478 655394041 /nfs/dbraw/zinc/39/40/41/655394041.db2.gz NMDRGNIPXXCUDO-LLVKDONJSA-N 1 0 383.367 1.160 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C1 ZINC000843468910 655395846 /nfs/dbraw/zinc/39/58/46/655395846.db2.gz BWXQZOQALMIXGE-NEPJUHHUSA-N 1 0 380.495 1.298 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)NS(=O)(=O)c1cccnc1Cl ZINC000843482382 655396460 /nfs/dbraw/zinc/39/64/60/655396460.db2.gz UXCDOOWNNVWPIR-FRRDWIJNSA-N 1 0 386.905 1.002 20 0 GDADRO COCCNc1nn(CN2CC[NH+](C(C)(C)COC)CC2)c(=S)s1 ZINC000819892785 655398104 /nfs/dbraw/zinc/39/81/04/655398104.db2.gz BUSQHSHFDAGQNL-UHFFFAOYSA-N 1 0 375.564 1.732 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(Br)nc2n1CCCC2 ZINC000844041259 655405887 /nfs/dbraw/zinc/40/58/87/655405887.db2.gz XNRWXAGUKWTJCR-NSHDSACASA-N 1 0 398.305 1.174 20 0 GDADRO C[C@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844403482 655410135 /nfs/dbraw/zinc/41/01/35/655410135.db2.gz WSARJVZELYLCAI-GJZGRUSLSA-N 1 0 377.551 1.893 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cc(Cl)nc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000844435091 655410368 /nfs/dbraw/zinc/41/03/68/655410368.db2.gz VJBWRTIDFBXXQB-LBPRGKRZSA-N 1 0 394.324 1.969 20 0 GDADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1)S(C)(=O)=O ZINC000844437154 655410380 /nfs/dbraw/zinc/41/03/80/655410380.db2.gz JFJWFQDBBOMMQY-HNNXBMFYSA-N 1 0 381.489 1.284 20 0 GDADRO CNC(=O)[C@H]1CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844706755 655413704 /nfs/dbraw/zinc/41/37/04/655413704.db2.gz CQNBHZAUCYCHSC-ZDUSSCGKSA-N 1 0 378.270 1.700 20 0 GDADRO Cc1ccsc1-c1nn(CN2CCN(CC[NH+](C)C)C(=O)C2)c(=S)o1 ZINC000844715157 655413922 /nfs/dbraw/zinc/41/39/22/655413922.db2.gz UDYUVAGNBQOMMP-UHFFFAOYSA-N 1 0 381.527 1.906 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000820830884 655417863 /nfs/dbraw/zinc/41/78/63/655417863.db2.gz ZUHKAXCGZJYDMZ-KFWWJZLASA-N 1 0 375.535 1.788 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccccc1[S@](=O)C(F)(F)F 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/nfs/dbraw/zinc/45/86/20/655458620.db2.gz NEUIKJXHBQRXKX-QWHCGFSZSA-N 1 0 383.436 1.195 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1Cl ZINC000846687867 655458758 /nfs/dbraw/zinc/45/87/58/655458758.db2.gz JCLYTOVHDFRZBW-GUYCJALGSA-N 1 0 385.917 1.791 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000846686326 655458792 /nfs/dbraw/zinc/45/87/92/655458792.db2.gz FMDGQNLZTMGCEA-UHFFFAOYSA-N 1 0 376.425 1.524 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000846690760 655458826 /nfs/dbraw/zinc/45/88/26/655458826.db2.gz AHADDLFORXZXLK-UHFFFAOYSA-N 1 0 375.288 1.711 20 0 GDADRO Brc1ccccc1-n1cc(-c2nc(N3CC[NH2+]CC3)no2)nn1 ZINC000823316321 655460226 /nfs/dbraw/zinc/46/02/26/655460226.db2.gz VKPDMMZBPCETLZ-UHFFFAOYSA-N 1 0 376.218 1.489 20 0 GDADRO CN(Cc1nc(N2CC[NH2+]CC2)no1)C(=O)c1ccc(Br)s1 ZINC000823315775 655460229 /nfs/dbraw/zinc/46/02/29/655460229.db2.gz OIPFUICOMSLTAU-UHFFFAOYSA-N 1 0 386.275 1.575 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)C[NH+]2CCCC2)cc1Br ZINC000823401268 655462385 /nfs/dbraw/zinc/46/23/85/655462385.db2.gz WUQDJXQTQFHZKR-CQSZACIVSA-N 1 0 385.302 1.821 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1Cl ZINC000847183720 655466245 /nfs/dbraw/zinc/46/62/45/655466245.db2.gz WTQRBMXQZARFBF-BJHJDKERSA-N 1 0 389.905 1.592 20 0 GDADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cnc(F)c(Br)c3)C2)CC1 ZINC000847486547 655470243 /nfs/dbraw/zinc/47/02/43/655470243.db2.gz ZGLBROULSSEPJQ-LBPRGKRZSA-N 1 0 385.281 1.882 20 0 GDADRO Cc1c(Cl)c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)sc1S(N)(=O)=O ZINC000824106039 655471801 /nfs/dbraw/zinc/47/18/01/655471801.db2.gz DUHBWDGWDCUNKR-AOOOYVTPSA-N 1 0 377.919 1.714 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OC1CC[NH+](CCOC)CC1 ZINC000847883383 655478525 /nfs/dbraw/zinc/47/85/25/655478525.db2.gz GHJOUIZPHIUHLB-MRXNPFEDSA-N 1 0 376.519 1.235 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1csc(I)n1 ZINC000824740906 655479762 /nfs/dbraw/zinc/47/97/62/655479762.db2.gz LZRQCNIMUOYGRI-BDAKNGLRSA-N 1 0 393.250 1.341 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824897409 655481981 /nfs/dbraw/zinc/48/19/81/655481981.db2.gz WVWXOXJQCBTGOC-CABCVRRESA-N 1 0 376.519 1.616 20 0 GDADRO O=C(/C=C/c1ccc(I)o1)NC[C@@H]1C[NH2+]CCCO1 ZINC000825183422 655485274 /nfs/dbraw/zinc/48/52/74/655485274.db2.gz NEHIHZDBVVAISY-TZNOJPMFSA-N 1 0 376.194 1.392 20 0 GDADRO CC[NH+](CC)CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O ZINC000825255008 655486707 /nfs/dbraw/zinc/48/67/07/655486707.db2.gz HKCXKBCSVXWLSH-WFASDCNBSA-N 1 0 392.905 1.253 20 0 GDADRO C[NH+](C)CCCOC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000825265307 655486817 /nfs/dbraw/zinc/48/68/17/655486817.db2.gz MOGWJOQZJDWURB-UHFFFAOYSA-N 1 0 379.276 1.222 20 0 GDADRO [NH3+]C[C@H](NC(=O)c1cn(-c2ccccc2Br)nn1)C(F)(F)F ZINC000848438298 655490005 /nfs/dbraw/zinc/49/00/05/655490005.db2.gz IKAXNXQKCHPLNC-JTQLQIEISA-N 1 0 378.152 1.649 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1c(Br)nc2n1CCC2 ZINC000825720524 655492939 /nfs/dbraw/zinc/49/29/39/655492939.db2.gz GETNKKXCRXZFCW-GFCCVEGCSA-N 1 0 385.306 1.775 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1)C(F)(F)F ZINC000848532287 655496284 /nfs/dbraw/zinc/49/62/84/655496284.db2.gz CLDPUZMXTSIICM-AWEZNQCLSA-N 1 0 385.452 1.143 20 0 GDADRO CS[C@H]1CN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826226620 655497041 /nfs/dbraw/zinc/49/70/41/655497041.db2.gz CUOWCGTXEISUKV-RYUDHWBXSA-N 1 0 381.531 1.234 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848655380 655498387 /nfs/dbraw/zinc/49/83/87/655498387.db2.gz ARJSYQMMHJLXIN-CVEARBPZSA-N 1 0 382.555 1.315 20 0 GDADRO CN(C)c1nc(Cl)c(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)s1 ZINC000827013928 655504439 /nfs/dbraw/zinc/50/44/39/655504439.db2.gz QAZWLAKCXGELPI-LLVKDONJSA-N 1 0 385.921 1.241 20 0 GDADRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]CCS(=O)(=O)CC(F)(F)F)C1 ZINC000827045319 655504713 /nfs/dbraw/zinc/50/47/13/655504713.db2.gz SFAILQYORGBKIF-FZMZJTMJSA-N 1 0 386.436 1.810 20 0 GDADRO Cn1nc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cc1Br ZINC000827148904 655506626 /nfs/dbraw/zinc/50/66/26/655506626.db2.gz QGHDUTOAWRFJPI-LBPRGKRZSA-N 1 0 393.289 1.970 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3csc(I)n3)CC[C@H]21 ZINC000827253381 655508241 /nfs/dbraw/zinc/50/82/41/655508241.db2.gz GURMHZLKVGJIHE-WCBMZHEXSA-N 1 0 377.251 1.914 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)CC[C@@H]21 ZINC000827328628 655509039 /nfs/dbraw/zinc/50/90/39/655509039.db2.gz FEHJXPJPFKASLW-QWRGUYRKSA-N 1 0 377.919 1.232 20 0 GDADRO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C(=O)c1ccc(Br)o1 ZINC000827339480 655509357 /nfs/dbraw/zinc/50/93/57/655509357.db2.gz TYRWMSSAMNKRNZ-RYUDHWBXSA-N 1 0 384.274 1.667 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000827367274 655509756 /nfs/dbraw/zinc/50/97/56/655509756.db2.gz TXGQYFQQZWNRKG-MLGOLLRUSA-N 1 0 385.917 1.757 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1Cl ZINC000827367075 655509839 /nfs/dbraw/zinc/50/98/39/655509839.db2.gz QNNRUHDYIIRAFF-ZFWWWQNUSA-N 1 0 385.917 1.757 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)c3cccc(Br)c3)CC[C@H]21 ZINC000827374120 655510056 /nfs/dbraw/zinc/51/00/56/655510056.db2.gz MEENZSPYACAIKN-UKRRQHHQSA-N 1 0 380.286 1.732 20 0 GDADRO C[C@H](CNC(=O)[C@@]1(C)CC1(Br)Br)N1CC[NH+](C)CC1 ZINC000827580731 655513371 /nfs/dbraw/zinc/51/33/71/655513371.db2.gz VSGRGAUGGKRAJJ-ZYHUDNBSSA-N 1 0 397.155 1.635 20 0 GDADRO C[C@H](CNC(=O)[C@]1(C)CC1(Br)Br)N1CC[NH+](C)CC1 ZINC000827580729 655513435 /nfs/dbraw/zinc/51/34/35/655513435.db2.gz VSGRGAUGGKRAJJ-PWSUYJOCSA-N 1 0 397.155 1.635 20 0 GDADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)CC1 ZINC000827743972 655515863 /nfs/dbraw/zinc/51/58/63/655515863.db2.gz FPTGRWABQQTMNZ-UHFFFAOYSA-N 1 0 386.949 1.916 20 0 GDADRO Cn1cc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)nc1Cl ZINC000849415160 655530165 /nfs/dbraw/zinc/53/01/65/655530165.db2.gz XLORASGFHKTYSF-UHFFFAOYSA-N 1 0 376.910 1.243 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000849428985 655533662 /nfs/dbraw/zinc/53/36/62/655533662.db2.gz HDVZPDRVBUAXSG-JTQLQIEISA-N 1 0 393.303 1.854 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)cn1 ZINC000849569865 655542518 /nfs/dbraw/zinc/54/25/18/655542518.db2.gz WGORFTPCDHZQFV-ZOFXXKQRSA-N 1 0 380.583 1.951 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2c[nH]cc(Br)c2=O)cn1 ZINC000849569884 655542558 /nfs/dbraw/zinc/54/25/58/655542558.db2.gz WIHFRRXJJRTVHB-NEPJUHHUSA-N 1 0 394.273 1.545 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cc(Br)ccn2)cn1 ZINC000849613464 655542667 /nfs/dbraw/zinc/54/26/67/655542667.db2.gz RMPVBPDZSGQJAC-JKSUJKDBSA-N 1 0 392.301 1.929 20 0 GDADRO COC[C@H](CC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)OC ZINC000850345206 655552632 /nfs/dbraw/zinc/55/26/32/655552632.db2.gz OKSSVQJARHOYHV-OLZOCXBDSA-N 1 0 379.910 1.346 20 0 GDADRO COC[C@H](CC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)OC ZINC000850345208 655552661 /nfs/dbraw/zinc/55/26/61/655552661.db2.gz OKSSVQJARHOYHV-STQMWFEESA-N 1 0 379.910 1.346 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1cncc(Br)c1 ZINC000850442746 655555201 /nfs/dbraw/zinc/55/52/01/655555201.db2.gz KYAZWFTWAOIXQS-NSHDSACASA-N 1 0 378.292 1.157 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cccc2scnc21 ZINC000850586658 655559268 /nfs/dbraw/zinc/55/92/68/655559268.db2.gz BIWPOPOLHJPSCA-LBPRGKRZSA-N 1 0 382.511 1.305 20 0 GDADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cnc(Cl)n2C)cc1 ZINC000850590356 655559381 /nfs/dbraw/zinc/55/93/81/655559381.db2.gz FDRJJKWGPOCGEL-KBPBESRZSA-N 1 0 384.889 1.506 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)ccc1F ZINC000850592408 655559638 /nfs/dbraw/zinc/55/96/38/655559638.db2.gz PYWZNGDZEXPSOK-NSHDSACASA-N 1 0 376.475 1.182 20 0 GDADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000850728712 655566720 /nfs/dbraw/zinc/56/67/20/655566720.db2.gz CXDPVPOFPUXVTN-UHFFFAOYSA-N 1 0 387.889 1.718 20 0 GDADRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C(=O)N1CCC=C(Br)C1 ZINC000850817431 655568805 /nfs/dbraw/zinc/56/88/05/655568805.db2.gz YMEFRDRIDJQGGN-OAHLLOKOSA-N 1 0 394.269 1.797 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000850865339 655570566 /nfs/dbraw/zinc/57/05/66/655570566.db2.gz XXIQJOSTEJCFHX-LURJTMIESA-N 1 0 394.067 1.269 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000851659056 655590086 /nfs/dbraw/zinc/59/00/86/655590086.db2.gz NDXDBJLGSVBKBR-SNVBAGLBSA-N 1 0 383.392 1.266 20 0 GDADRO CCCS(=O)(=O)NC1CC[NH+](C[C@H](O)P(=O)(OCC)OCC)CC1 ZINC000851727203 655592790 /nfs/dbraw/zinc/59/27/90/655592790.db2.gz GJTUKZMDZNPKDS-CQSZACIVSA-N 1 0 386.451 1.365 20 0 GDADRO CC1(C)OC[C@@H](CC[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)O1 ZINC000851771247 655594436 /nfs/dbraw/zinc/59/44/36/655594436.db2.gz ZSVYXXDONZHKHC-CYBMUJFWSA-N 1 0 388.452 1.816 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000851840777 655599023 /nfs/dbraw/zinc/59/90/23/655599023.db2.gz BNDFORNQBFUURY-CQSZACIVSA-N 1 0 386.451 1.317 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)nc2)cc1 ZINC000851898245 655603535 /nfs/dbraw/zinc/60/35/35/655603535.db2.gz UJJLBNSDWLLHCO-LLVKDONJSA-N 1 0 382.873 1.932 20 0 GDADRO NC(=O)[C@@](O)(C[N@H+](CCO)Cc1ccc(Br)s1)c1ccccc1 ZINC000851981195 655604959 /nfs/dbraw/zinc/60/49/59/655604959.db2.gz SNKPNIKQRLWQNG-MRXNPFEDSA-N 1 0 399.310 1.678 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852190498 655609803 /nfs/dbraw/zinc/60/98/03/655609803.db2.gz DHHKVLRBTUHKPC-LRDDRELGSA-N 1 0 389.327 1.962 20 0 GDADRO C[C@]12CC[N@H+](CCCC(=O)NC(N)=O)C[C@H]1C2(Br)Br ZINC000852335224 655612511 /nfs/dbraw/zinc/61/25/11/655612511.db2.gz CNGYMZXYWHTNGF-KCJUWKMLSA-N 1 0 397.111 1.789 20 0 GDADRO CCCS(=O)(=O)CC[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000852452571 655614380 /nfs/dbraw/zinc/61/43/80/655614380.db2.gz CEOVPDWXYODYQT-ZDUSSCGKSA-N 1 0 378.416 1.921 20 0 GDADRO O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852461661 655615756 /nfs/dbraw/zinc/61/57/56/655615756.db2.gz YQHXHTUZORVPGM-HWRSSNJWSA-N 1 0 377.432 1.871 20 0 GDADRO Ic1cnnn1C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000852532824 655617434 /nfs/dbraw/zinc/61/74/34/655617434.db2.gz RADKGMKHHGZWTC-LLVKDONJSA-N 1 0 376.242 1.946 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)c1cnn(-c2ccccc2)c1I ZINC000852792869 655622617 /nfs/dbraw/zinc/62/26/17/655622617.db2.gz GULIRZBLDLBXLH-LLVKDONJSA-N 1 0 396.232 1.959 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)=NO1 ZINC000852814425 655623382 /nfs/dbraw/zinc/62/33/82/655623382.db2.gz NBLQLFMFLFGTHI-JTQLQIEISA-N 1 0 385.251 1.381 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852829029 655623713 /nfs/dbraw/zinc/62/37/13/655623713.db2.gz YJMSYRCDLAFUKO-SSDOTTSWSA-N 1 0 381.332 1.031 20 0 GDADRO CS(=O)(=O)CCOc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000852828210 655623723 /nfs/dbraw/zinc/62/37/23/655623723.db2.gz VKIQDERJQQAMGI-CQSZACIVSA-N 1 0 380.388 1.591 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)Nc2nccn2Cc2ccc(Br)cc2)=NO1 ZINC000852852529 655624120 /nfs/dbraw/zinc/62/41/20/655624120.db2.gz AABPHTZKVCLIJI-LBPRGKRZSA-N 1 0 378.230 1.736 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)N1CCC(n2nncc2I)CC1 ZINC000852860698 655624264 /nfs/dbraw/zinc/62/42/64/655624264.db2.gz IIPQUFCCTVACTJ-MRVPVSSYSA-N 1 0 399.183 1.029 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)NCCc1ccc(I)cc1 ZINC000852916075 655628135 /nfs/dbraw/zinc/62/81/35/655628135.db2.gz VXEUJTILTKVBOU-AWEZNQCLSA-N 1 0 388.249 1.719 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000852917204 655628249 /nfs/dbraw/zinc/62/82/49/655628249.db2.gz XSOIMOFLYHITGB-GFCCVEGCSA-N 1 0 382.511 1.401 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000852920492 655628304 /nfs/dbraw/zinc/62/83/04/655628304.db2.gz UKSSLAOTFLHWBC-WCQYABFASA-N 1 0 389.905 1.135 20 0 GDADRO C[NH+]1CCC(N2CC[C@H](Nc3ccc4c(c3)S(=O)(=O)N=C4Cl)C2)CC1 ZINC000853321360 655638391 /nfs/dbraw/zinc/63/83/91/655638391.db2.gz MDEGOXFHCSXUOA-ZDUSSCGKSA-N 1 0 382.917 1.955 20 0 GDADRO CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000853821146 655651104 /nfs/dbraw/zinc/65/11/04/655651104.db2.gz UPYBOIXSMSJWAY-MLGOLLRUSA-N 1 0 384.575 1.430 20 0 GDADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H](CO)C[NH+](C)C)cc1 ZINC000854467868 655667445 /nfs/dbraw/zinc/66/74/45/655667445.db2.gz ZPFCYGDLEDTADZ-GFCCVEGCSA-N 1 0 381.274 1.596 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3cnc(Cl)c(Br)c3)C2)CC1 ZINC000854645181 655673370 /nfs/dbraw/zinc/67/33/70/655673370.db2.gz ZUOHJDQTKDAQNO-UHFFFAOYSA-N 1 0 387.709 1.817 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2cc(Br)no2)CC1=O ZINC000854707839 655674538 /nfs/dbraw/zinc/67/45/38/655674538.db2.gz JRQKRTWRSZIYMX-NWDGAFQWSA-N 1 0 399.289 1.386 20 0 GDADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000855050521 655684772 /nfs/dbraw/zinc/68/47/72/655684772.db2.gz WWVPIFZQGOVEFX-WDEREUQCSA-N 1 0 376.201 1.417 20 0 GDADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cnn(C)c1I ZINC000856282083 655711148 /nfs/dbraw/zinc/71/11/48/655711148.db2.gz PEULOVKHJMCBCN-UHFFFAOYSA-N 1 0 378.258 1.875 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CC[NH2+]1 ZINC000856486349 655714089 /nfs/dbraw/zinc/71/40/89/655714089.db2.gz YEHQORRWRRYHMU-INIZCTEOSA-N 1 0 385.917 1.804 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856760086 655717785 /nfs/dbraw/zinc/71/77/85/655717785.db2.gz KOJJHDWCLGKFCB-UHFFFAOYSA-N 1 0 391.331 1.624 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cn(-c3ccccc3Br)nn1)C2 ZINC000857008514 655725491 /nfs/dbraw/zinc/72/54/91/655725491.db2.gz LKDHKQGJNOJTFB-BDJLRTHQSA-N 1 0 376.258 1.983 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCSCc1ccnc(Cl)c1)C2 ZINC000857101457 655727760 /nfs/dbraw/zinc/72/77/60/655727760.db2.gz YCVCDFFAVTUAPM-CXAGYDPISA-N 1 0 382.917 1.424 20 0 GDADRO O=C(c1c(Br)nc2n1CCOC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000857133778 655728754 /nfs/dbraw/zinc/72/87/54/655728754.db2.gz LDVLOBTVUVUETJ-GFCCVEGCSA-N 1 0 383.290 1.734 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C2 ZINC000857237880 655731652 /nfs/dbraw/zinc/73/16/52/655731652.db2.gz WELRXZYJLQCFJP-IINYFYTJSA-N 1 0 380.438 1.185 20 0 GDADRO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000857256359 655732323 /nfs/dbraw/zinc/73/23/23/655732323.db2.gz IZPIZFJCDOXKKX-NEPJUHHUSA-N 1 0 399.289 1.111 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c(Br)nc4n3CCOC4)C2)C1 ZINC000857272393 655732850 /nfs/dbraw/zinc/73/28/50/655732850.db2.gz MDEMGHWMZDQQFO-INIZCTEOSA-N 1 0 383.290 1.734 20 0 GDADRO Cn1cc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(Br)n1 ZINC000858094940 655744272 /nfs/dbraw/zinc/74/42/72/655744272.db2.gz KMJNSMQUPWWQAI-MRXNPFEDSA-N 1 0 379.302 1.691 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)ccc1S(=O)(=O)C(F)F ZINC000858547529 655749256 /nfs/dbraw/zinc/74/92/56/655749256.db2.gz HZDQRXFVPIXBOY-WCQYABFASA-N 1 0 378.441 1.409 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c1)C(F)(F)F ZINC000858612734 655750373 /nfs/dbraw/zinc/75/03/73/655750373.db2.gz DNDGZPYLHBMJRA-GFCCVEGCSA-N 1 0 377.388 1.608 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C2 ZINC000858617543 655750577 /nfs/dbraw/zinc/75/05/77/655750577.db2.gz ZCJRSXRGVIIUPT-YGRLFVJLSA-N 1 0 377.388 1.689 20 0 GDADRO [NH3+]CCCOCCNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000858632396 655751480 /nfs/dbraw/zinc/75/14/80/655751480.db2.gz SCNOCVNTMFPZED-UHFFFAOYSA-N 1 0 376.425 1.860 20 0 GDADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)nc1F ZINC000858899494 655755051 /nfs/dbraw/zinc/75/50/51/655755051.db2.gz XONALOUNJJONKV-VIFPVBQESA-N 1 0 378.267 1.746 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(Cl)nn(C)c1Cl ZINC000859079192 655762016 /nfs/dbraw/zinc/76/20/16/655762016.db2.gz ORLOLSAACWFNNL-JTQLQIEISA-N 1 0 376.288 1.399 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)nc2F)C[C@@H]1[NH+](C)C ZINC000859084490 655762461 /nfs/dbraw/zinc/76/24/61/655762461.db2.gz FLDWBMSYBSJTCZ-IUCAKERBSA-N 1 0 398.323 1.649 20 0 GDADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2c(I)cnn2C)C1 ZINC000861351450 655820134 /nfs/dbraw/zinc/82/01/34/655820134.db2.gz CSZRITFRWDKQMM-ZANVPECISA-N 1 0 393.225 1.291 20 0 GDADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000861358070 655820213 /nfs/dbraw/zinc/82/02/13/655820213.db2.gz VCKIYJJZZMBEKW-ZUZCIYMTSA-N 1 0 388.262 1.442 20 0 GDADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Br ZINC000861506911 655824132 /nfs/dbraw/zinc/82/41/32/655824132.db2.gz HDEUHVDLOSPBBQ-SKDRFNHKSA-N 1 0 384.299 1.930 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861540556 655825405 /nfs/dbraw/zinc/82/54/05/655825405.db2.gz NYYIMOAXNKSUTK-ZETCQYMHSA-N 1 0 378.654 1.855 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cccc(F)c1I ZINC000861541883 655825422 /nfs/dbraw/zinc/82/54/22/655825422.db2.gz IILPTWILHHCEGO-SSDOTTSWSA-N 1 0 379.173 1.174 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000861541822 655825425 /nfs/dbraw/zinc/82/54/25/655825425.db2.gz GYCCQKOYHLDGKB-LLVKDONJSA-N 1 0 394.273 1.438 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861541675 655825450 /nfs/dbraw/zinc/82/54/50/655825450.db2.gz GCMCDOBRTAZZJI-SNVBAGLBSA-N 1 0 388.262 1.218 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000861542279 655825537 /nfs/dbraw/zinc/82/55/37/655825537.db2.gz NNZIEEZVAOFYAF-JTQLQIEISA-N 1 0 384.267 1.982 20 0 GDADRO C[NH2+]CCOCCNC(=O)NCc1ccc(C(=O)OC)cc1Br ZINC000861676457 655828054 /nfs/dbraw/zinc/82/80/54/655828054.db2.gz SRFDYLLKRYHADR-UHFFFAOYSA-N 1 0 388.262 1.271 20 0 GDADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2C[C@]2(C)Br)CC1 ZINC000861680653 655828266 /nfs/dbraw/zinc/82/82/66/655828266.db2.gz GIAWEZKMASNERV-ZBFHGGJFSA-N 1 0 377.323 1.746 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000861741602 655829687 /nfs/dbraw/zinc/82/96/87/655829687.db2.gz SFSFMLYITNYJBX-ZANVPECISA-N 1 0 387.267 1.021 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C(=O)NCCc2ccc(Br)cc2F)C[NH2+]1 ZINC000861771960 655830309 /nfs/dbraw/zinc/83/03/09/655830309.db2.gz LYOVKUPCJMJKSA-GWCFXTLKSA-N 1 0 386.265 1.504 20 0 GDADRO O=C(c1cc(Br)cnc1F)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000861928008 655833914 /nfs/dbraw/zinc/83/39/14/655833914.db2.gz JHFIRVQPDDJVIV-LBPRGKRZSA-N 1 0 399.264 1.410 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000862032063 655837084 /nfs/dbraw/zinc/83/70/84/655837084.db2.gz NESZBWBSACLGGU-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]C[C@H]2CCCCS2(=O)=O)COC1(C)C ZINC000862318412 655844056 /nfs/dbraw/zinc/84/40/56/655844056.db2.gz PAPYVZNMSLIXEU-ZIAGYGMSSA-N 1 0 376.519 1.915 20 0 GDADRO CN(C)S(=O)(=O)N1CC([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000862536535 655847247 /nfs/dbraw/zinc/84/72/47/655847247.db2.gz JNODPRDKOHHJJQ-UHFFFAOYSA-N 1 0 378.539 1.102 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NCC1(OCCO)CCC(F)(F)CC1 ZINC000863215446 655863162 /nfs/dbraw/zinc/86/31/62/655863162.db2.gz DKKHLOAWVZOWNX-UHFFFAOYSA-N 1 0 381.533 1.995 20 0 GDADRO COC(=O)c1c2cnn(C[N@H+](C)[C@H]3C[C@@H](C(N)=O)C3)c2ccc1Br ZINC000863322911 655865931 /nfs/dbraw/zinc/86/59/31/655865931.db2.gz UELNPOXVHOUVDA-AOOOYVTPSA-N 1 0 395.257 1.739 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000863750577 655879753 /nfs/dbraw/zinc/87/97/53/655879753.db2.gz RAQALRZMQNMFKB-BXUZGUMPSA-N 1 0 384.274 1.155 20 0 GDADRO C[NH2+]C1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCC1 ZINC000863923283 655883674 /nfs/dbraw/zinc/88/36/74/655883674.db2.gz NEUVNYWOKBYNDK-UHFFFAOYSA-N 1 0 385.917 1.996 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000865122920 655912645 /nfs/dbraw/zinc/91/26/45/655912645.db2.gz AUVIFUTXNZATRD-UHFFFAOYSA-N 1 0 386.290 1.228 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cn2ccnc12 ZINC000865202476 655914565 /nfs/dbraw/zinc/91/45/65/655914565.db2.gz LETCYCMBRJVWPA-GFCCVEGCSA-N 1 0 380.290 1.463 20 0 GDADRO CS(=O)(=O)CCNC(=S)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865255064 655915496 /nfs/dbraw/zinc/91/54/96/655915496.db2.gz KHFPACAWWULWGE-UHFFFAOYSA-N 1 0 383.583 1.797 20 0 GDADRO Cc1ccnc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1Br ZINC000865456241 655920115 /nfs/dbraw/zinc/92/01/15/655920115.db2.gz UNEVKHFKQRZJSI-UHFFFAOYSA-N 1 0 390.347 1.751 20 0 GDADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000865465646 655920243 /nfs/dbraw/zinc/92/02/43/655920243.db2.gz FUGRJDQRKDLXOR-INIZCTEOSA-N 1 0 399.333 1.349 20 0 GDADRO O=C1COC[C@@]2(C[NH2+]Cc3cc(Br)cnc3Cl)COCCN12 ZINC000865796292 655927084 /nfs/dbraw/zinc/92/70/84/655927084.db2.gz ZVUPFXJPYMKZKJ-CQSZACIVSA-N 1 0 390.665 1.215 20 0 GDADRO CC(C)(C[NH2+]Cc1cn2ccc(Br)cc2n1)CS(N)(=O)=O ZINC000865814363 655927517 /nfs/dbraw/zinc/92/75/17/655927517.db2.gz SFGZDSCNGFFJMX-UHFFFAOYSA-N 1 0 375.292 1.501 20 0 GDADRO CC(C)(C[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl)CS(N)(=O)=O ZINC000865814621 655927719 /nfs/dbraw/zinc/92/77/19/655927719.db2.gz XKIFAZMBCZDKSJ-UHFFFAOYSA-N 1 0 380.869 1.929 20 0 GDADRO CN1C2(CCC2)COC[C@@]1(CO)CNc1ccc(CO)c(Br)n1 ZINC000865965381 655931299 /nfs/dbraw/zinc/93/12/99/655931299.db2.gz METSQHUQZPBLBN-INIZCTEOSA-N 1 0 386.290 1.364 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)c1ncc(I)cn1 ZINC000865996052 655932418 /nfs/dbraw/zinc/93/24/18/655932418.db2.gz GETKLSUCJGGZIO-UHFFFAOYSA-N 1 0 390.269 1.876 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(I)nn2C)C1 ZINC000866182309 655935507 /nfs/dbraw/zinc/93/55/07/655935507.db2.gz QGCKPNZGJSGBSJ-LLVKDONJSA-N 1 0 390.269 1.829 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(c3cccc(OC(F)(F)F)c3S(N)(=O)=O)CC[C@H]21 ZINC000866207238 655936089 /nfs/dbraw/zinc/93/60/89/655936089.db2.gz BDXNRLZWNXKEMP-GHMZBOCLSA-N 1 0 379.404 1.763 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000866222450 655936417 /nfs/dbraw/zinc/93/64/17/655936417.db2.gz DQMMHJXJWKDYPG-OWCLPIDISA-N 1 0 379.298 1.908 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cn(C)nc2Br)C1 ZINC000866506135 655947728 /nfs/dbraw/zinc/94/77/28/655947728.db2.gz DSCVQZFGAXHBFH-TXEJJXNPSA-N 1 0 393.351 1.829 20 0 GDADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)N=S2(=O)CCCC2)c1 ZINC000866526491 655948140 /nfs/dbraw/zinc/94/81/40/655948140.db2.gz JOJOMYLSRPQZLX-UHFFFAOYSA-N 1 0 375.516 1.223 20 0 GDADRO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc(Br)ncc1F ZINC000866552237 655948949 /nfs/dbraw/zinc/94/89/49/655948949.db2.gz HGIKIBZXVYYWSM-BONVTDFDSA-N 1 0 388.237 1.262 20 0 GDADRO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(F)cc1Br ZINC000866556414 655949424 /nfs/dbraw/zinc/94/94/24/655949424.db2.gz SZVFGRIRZOKHQR-BZNIZROVSA-N 1 0 387.249 1.867 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000866572828 655950021 /nfs/dbraw/zinc/95/00/21/655950021.db2.gz FNSOIDWYAKAITK-CYBMUJFWSA-N 1 0 389.949 1.981 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866736286 655957552 /nfs/dbraw/zinc/95/75/52/655957552.db2.gz UKRQVKQZMQYLHU-UHFFFAOYSA-N 1 0 392.884 1.049 20 0 GDADRO C[C@]1(CS(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1(Cl)Cl ZINC000866738480 655957658 /nfs/dbraw/zinc/95/76/58/655957658.db2.gz ZWIUCAORVOWLKD-TZMCWYRMSA-N 1 0 398.356 1.044 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000866740696 655957900 /nfs/dbraw/zinc/95/79/00/655957900.db2.gz UOOZYMZZFLVEDX-GWCFXTLKSA-N 1 0 377.304 1.957 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)c(Br)n1 ZINC000866741668 655957990 /nfs/dbraw/zinc/95/79/90/655957990.db2.gz IGHWTQOZLNHCPB-UHFFFAOYSA-N 1 0 379.324 1.773 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000866743700 655958154 /nfs/dbraw/zinc/95/81/54/655958154.db2.gz YYVDINJJTWXQLQ-HZMBPMFUSA-N 1 0 393.303 1.336 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)Cc1c(Br)cccc1OC ZINC000866743005 655958162 /nfs/dbraw/zinc/95/81/62/655958162.db2.gz WHZDLSRYUHOWQA-NSHDSACASA-N 1 0 377.304 1.971 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000866752478 655959142 /nfs/dbraw/zinc/95/91/42/655959142.db2.gz PZWFWJCPDGYZLG-AWEZNQCLSA-N 1 0 382.313 1.545 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000866765892 655960538 /nfs/dbraw/zinc/96/05/38/655960538.db2.gz DAPDKPVKKWJVCP-FZMZJTMJSA-N 1 0 389.315 1.971 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1Br ZINC000866768308 655960785 /nfs/dbraw/zinc/96/07/85/655960785.db2.gz ATXSNSXHTBWVFQ-GHMZBOCLSA-N 1 0 377.308 1.193 20 0 GDADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866771702 655961426 /nfs/dbraw/zinc/96/14/26/655961426.db2.gz IUNNZLPBRMFSOH-SMDDNHRTSA-N 1 0 377.869 1.781 20 0 GDADRO C[C@@]1(CS(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1(Cl)Cl ZINC000866780430 655962750 /nfs/dbraw/zinc/96/27/50/655962750.db2.gz CSZWAFGWHLEWDI-KGLIPLIRSA-N 1 0 385.357 1.991 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)s1 ZINC000866784484 655963279 /nfs/dbraw/zinc/96/32/79/655963279.db2.gz ALSSPJPYVUYUQA-SNVBAGLBSA-N 1 0 376.500 1.600 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(Br)cc1F ZINC000866790841 655963972 /nfs/dbraw/zinc/96/39/72/655963972.db2.gz YZHICDZAYUITRN-YUMQZZPRSA-N 1 0 393.234 1.110 20 0 GDADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1nc[nH]c1Br ZINC000866792017 655964184 /nfs/dbraw/zinc/96/41/84/655964184.db2.gz QNMNIAPSKROCOU-LLVKDONJSA-N 1 0 393.307 1.094 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(Cl)nc3F)CC2)C1 ZINC000866794895 655964432 /nfs/dbraw/zinc/96/44/32/655964432.db2.gz USNMUDMISLOUHO-LBPRGKRZSA-N 1 0 376.885 1.275 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)C1 ZINC000866807042 655965904 /nfs/dbraw/zinc/96/59/04/655965904.db2.gz WCKWUZJSZOMVOV-OTSSQURYSA-N 1 0 393.694 1.766 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H]([NH3+])C2)ccc1Br ZINC000866808472 655966075 /nfs/dbraw/zinc/96/60/75/655966075.db2.gz PHDLBNSAOFCIOF-KYZUINATSA-N 1 0 377.260 1.251 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C1CC[NH2+]CC1 ZINC000866811096 655966206 /nfs/dbraw/zinc/96/62/06/655966206.db2.gz IWCYSKSPMVEDIY-SNVBAGLBSA-N 1 0 380.919 1.410 20 0 GDADRO COCCC1(NS(=O)(=O)c2ccccc2Br)CC[NH2+]CC1 ZINC000866821275 655967024 /nfs/dbraw/zinc/96/70/24/655967024.db2.gz XNVDKWCPJDFNKF-UHFFFAOYSA-N 1 0 377.304 1.886 20 0 GDADRO COCCC1(NS(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)CC[NH2+]CC1 ZINC000866825597 655967448 /nfs/dbraw/zinc/96/74/48/655967448.db2.gz NELXJMGHQXFICP-UHFFFAOYSA-N 1 0 378.397 1.445 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(Cl)s1 ZINC000866828389 655967779 /nfs/dbraw/zinc/96/77/79/655967779.db2.gz WQGBZTMFZZMKNG-BDAKNGLRSA-N 1 0 384.932 1.320 20 0 GDADRO CC(C)n1ncc(C(=O)NC[C@](C)(O)C[NH+](C)C)c1I ZINC000866921370 655977489 /nfs/dbraw/zinc/97/74/89/655977489.db2.gz RYPLOPMYWQDWPM-ZDUSSCGKSA-N 1 0 394.257 1.111 20 0 GDADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000866955184 655981370 /nfs/dbraw/zinc/98/13/70/655981370.db2.gz CODCNZVXGCYHGA-CABCVRRESA-N 1 0 377.551 1.893 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000866974770 655983477 /nfs/dbraw/zinc/98/34/77/655983477.db2.gz ZKLRWMGXZUJQQG-TZMCWYRMSA-N 1 0 398.356 1.139 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000866993764 655985037 /nfs/dbraw/zinc/98/50/37/655985037.db2.gz JKRNZBAHPAZFQP-PWSUYJOCSA-N 1 0 389.319 1.810 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C(F)(F)F ZINC000867012725 655987207 /nfs/dbraw/zinc/98/72/07/655987207.db2.gz NYSQLBNNFWANIA-GFCCVEGCSA-N 1 0 380.436 1.791 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000867047028 655990670 /nfs/dbraw/zinc/99/06/70/655990670.db2.gz ZMWHCUGSTFGNCZ-DEOSSOPVSA-N 1 0 388.559 1.982 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000867055110 655991444 /nfs/dbraw/zinc/99/14/44/655991444.db2.gz KEUZUEYOBDNUBT-CYBMUJFWSA-N 1 0 378.878 1.016 20 0 GDADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000867190617 656008980 /nfs/dbraw/zinc/00/89/80/656008980.db2.gz HINWTMHZRCCXDC-HNNXBMFYSA-N 1 0 375.535 1.599 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)NC[C@@H](O)c1cccc(Br)c1 ZINC000867241560 656020790 /nfs/dbraw/zinc/02/07/90/656020790.db2.gz WTPUPVZKFZOADE-OAHLLOKOSA-N 1 0 391.331 1.888 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c(F)cc1Cl ZINC000867307963 656035413 /nfs/dbraw/zinc/03/54/13/656035413.db2.gz FGGVQROIEYEGBS-RNCFNFMXSA-N 1 0 378.853 1.979 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000867324447 656038220 /nfs/dbraw/zinc/03/82/20/656038220.db2.gz ZZJAFROVDUSDOH-UHFFFAOYSA-N 1 0 381.267 1.779 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(Br)ncc2Br)C1 ZINC000867419068 656056886 /nfs/dbraw/zinc/05/68/86/656056886.db2.gz ASKDSKJVUQRHJJ-GFCCVEGCSA-N 1 0 393.079 1.403 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867503275 656071958 /nfs/dbraw/zinc/07/19/58/656071958.db2.gz CPSNTIMGEZFULM-UHFFFAOYSA-N 1 0 391.950 1.507 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc(Br)cn2)CC[N@@H+]1C ZINC000867521981 656075716 /nfs/dbraw/zinc/07/57/16/656075716.db2.gz GCCJZKHTACAMPH-BXUZGUMPSA-N 1 0 383.290 1.401 20 0 GDADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000867526391 656077019 /nfs/dbraw/zinc/07/70/19/656077019.db2.gz QKRXLIPLJCYHBP-OAHLLOKOSA-N 1 0 375.535 1.599 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000867580493 656087859 /nfs/dbraw/zinc/08/78/59/656087859.db2.gz BLYKRTRZEYBRKI-UHFFFAOYSA-N 1 0 384.424 1.407 20 0 GDADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000867744207 656107829 /nfs/dbraw/zinc/10/78/29/656107829.db2.gz RFFALDUUWJWWMD-UHFFFAOYSA-N 1 0 392.518 1.770 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000867814323 656120383 /nfs/dbraw/zinc/12/03/83/656120383.db2.gz NUOKIRJFLSLVKJ-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)C[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000867816920 656121131 /nfs/dbraw/zinc/12/11/31/656121131.db2.gz OXPWNHPURFYCPN-HNNXBMFYSA-N 1 0 379.517 1.854 20 0 GDADRO C[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CC[NH2+]CC1 ZINC000868010370 656137451 /nfs/dbraw/zinc/13/74/51/656137451.db2.gz RNOOCWWANUAKNY-JTQLQIEISA-N 1 0 394.269 1.549 20 0 GDADRO Cn1ncc(I)c1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000868052717 656138629 /nfs/dbraw/zinc/13/86/29/656138629.db2.gz RUTLLTDFCWDFBU-LBPRGKRZSA-N 1 0 384.221 1.731 20 0 GDADRO O=C(Nc1cccc(Br)n1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868147835 656142346 /nfs/dbraw/zinc/14/23/46/656142346.db2.gz WFDYIMZFSOZLCP-AXFHLTTASA-N 1 0 396.245 1.243 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000868303639 656149986 /nfs/dbraw/zinc/14/99/86/656149986.db2.gz JFUBXGUJXZVTTD-JGZJWPJOSA-N 1 0 387.221 1.392 20 0 GDADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(I)nn1C ZINC000868335014 656150902 /nfs/dbraw/zinc/15/09/02/656150902.db2.gz BCRIVJSSLYBDCQ-GHMZBOCLSA-N 1 0 388.253 1.724 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N(C)C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000868387350 656153515 /nfs/dbraw/zinc/15/35/15/656153515.db2.gz BHDPADVUFBBRHT-OAHLLOKOSA-N 1 0 398.301 1.463 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868419960 656155120 /nfs/dbraw/zinc/15/51/20/656155120.db2.gz SXHFHXPCKBZYKE-ZJUUUORDSA-N 1 0 376.404 1.473 20 0 GDADRO CN(CCNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)S(=O)(=O)c1cccs1 ZINC000868424341 656155240 /nfs/dbraw/zinc/15/52/40/656155240.db2.gz LAJFSMAZCUXKJE-UONOGXRCSA-N 1 0 386.543 1.104 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000868571485 656161336 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CCS(=O)(=O)N[C@H](CCSC)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870958079 656259004 /nfs/dbraw/zinc/25/90/04/656259004.db2.gz JTFUPSNFLCQNAA-MRXNPFEDSA-N 1 0 393.619 1.674 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1Br ZINC000870967318 656259299 /nfs/dbraw/zinc/25/92/99/656259299.db2.gz QJPCPFPAOSPPLQ-JGZJWPJOSA-N 1 0 390.303 1.167 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000870972110 656259413 /nfs/dbraw/zinc/25/94/13/656259413.db2.gz RYDDJOQDRNXIID-AULYBMBSSA-N 1 0 389.315 1.857 20 0 GDADRO O=C(c1ncsc1C(F)(F)F)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996789 656259603 /nfs/dbraw/zinc/25/96/03/656259603.db2.gz GRQAFNBDMPGVOH-YIZRAAEISA-N 1 0 376.360 1.169 20 0 GDADRO O=C(N[C@H]1COc2cccc(Br)c2C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000871007948 656260127 /nfs/dbraw/zinc/26/01/27/656260127.db2.gz MAOMXHQRJVCIHY-GHMZBOCLSA-N 1 0 391.269 1.983 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000871020584 656260484 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CNS(=O)(=O)CCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000872220272 656320233 /nfs/dbraw/zinc/32/02/33/656320233.db2.gz GHRCBTMQGIBCCT-ZDUSSCGKSA-N 1 0 399.738 1.839 20 0 GDADRO CC(C)(O)C[C@H](O)C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000872216469 656320285 /nfs/dbraw/zinc/32/02/85/656320285.db2.gz WZZOJEOZEGNOPB-RISCZKNCSA-N 1 0 378.282 1.851 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]C[C@H](O)COc3c(Cl)cccc3Cl)COCCN12 ZINC000872228279 656320431 /nfs/dbraw/zinc/32/04/31/656320431.db2.gz GUNGXWZCAPSGCX-MEDUHNTESA-N 1 0 391.251 1.544 20 0 GDADRO CN(CCN(C)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000872439260 656327787 /nfs/dbraw/zinc/32/77/87/656327787.db2.gz PTRQOLXTQIEMIQ-QHCPKHFHSA-N 1 0 382.596 1.085 20 0 GDADRO Cc1cccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1Br ZINC000872618772 656366952 /nfs/dbraw/zinc/36/69/52/656366952.db2.gz YCUISDIEYDLOQN-QWHCGFSZSA-N 1 0 389.315 1.587 20 0 GDADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000872661885 656371478 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FFOQLMJYZRKNBB-GFCCVEGCSA-N 1 0 382.258 1.801 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873716144 656406224 /nfs/dbraw/zinc/40/62/24/656406224.db2.gz FZRVDTCOVVBBFP-LLVKDONJSA-N 1 0 396.285 1.923 20 0 GDADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873738405 656409442 /nfs/dbraw/zinc/40/94/42/656409442.db2.gz XSECQLQUDHWXDE-NSHDSACASA-N 1 0 396.285 1.923 20 0 GDADRO C[NH+]1CCC(n2cc(NC(=O)C(=O)NC[C@@H]3CSCCS3)cn2)CC1 ZINC000873768462 656412987 /nfs/dbraw/zinc/41/29/87/656412987.db2.gz AADBXBBBDGSDIP-CQSZACIVSA-N 1 0 383.543 1.053 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3c4c(ccc3Br)OCC4)C[C@H]2C1 ZINC000873855145 656423146 /nfs/dbraw/zinc/42/31/46/656423146.db2.gz MILJDIBLOUQKKZ-PHIMTYICSA-N 1 0 394.269 1.343 20 0 GDADRO CCn1c(C[NH2+]C[C@@]2(O)CCOC2)nc(Br)c1Br ZINC000921933361 656429820 /nfs/dbraw/zinc/42/98/20/656429820.db2.gz VFLKKQPIFFRFDV-NSHDSACASA-N 1 0 383.084 1.669 20 0 GDADRO C[NH+]1CCC(n2cc(NC(=O)C(=O)NCC[C@@H]3CC3(Cl)Cl)cn2)CC1 ZINC000873952687 656433297 /nfs/dbraw/zinc/43/32/97/656433297.db2.gz QGRZOZKWQQBVBB-LLVKDONJSA-N 1 0 388.299 1.788 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCc4ccc(Br)cc43)CC[C@H]21 ZINC000874172800 656448100 /nfs/dbraw/zinc/44/81/00/656448100.db2.gz LAWLZGPCTDGIDI-DZGCQCFKSA-N 1 0 392.297 1.891 20 0 GDADRO Nc1cc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc(Br)n1 ZINC000874245699 656455403 /nfs/dbraw/zinc/45/54/03/656455403.db2.gz KNAWGIGDALWSBH-ZDUSSCGKSA-N 1 0 383.290 1.753 20 0 GDADRO C[N@H+](CCNC(=O)c1cc(F)c(Br)c(Cl)c1)CCOCCO ZINC000922114063 656457217 /nfs/dbraw/zinc/45/72/17/656457217.db2.gz RHHPQIKERGQDOP-UHFFFAOYSA-N 1 0 397.672 1.912 20 0 GDADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCc2ncc(Cl)s2)c1 ZINC000874310438 656461257 /nfs/dbraw/zinc/46/12/57/656461257.db2.gz GVFTWLRBQUTPGO-UHFFFAOYSA-N 1 0 382.873 1.992 20 0 GDADRO CCO[C@H](CNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)C[NH+](C)C ZINC000922192612 656461361 /nfs/dbraw/zinc/46/13/61/656461361.db2.gz YYDZADPPYKIVFX-CYBMUJFWSA-N 1 0 391.921 1.509 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)NCc2cnc(Br)cn2)CC1(C)C ZINC000922345885 656469502 /nfs/dbraw/zinc/46/95/02/656469502.db2.gz FJKACKAMWKFREZ-UHFFFAOYSA-N 1 0 385.310 1.064 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000874443719 656469713 /nfs/dbraw/zinc/46/97/13/656469713.db2.gz CULVYOXNPVZUIU-MGPQQGTHSA-N 1 0 382.448 1.686 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]CCN2Cc3ccccc3OCC2=O)s1 ZINC000922462545 656480717 /nfs/dbraw/zinc/48/07/17/656480717.db2.gz LDYZKQGPYKYTFR-UHFFFAOYSA-N 1 0 380.491 1.662 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccncc1Br ZINC000874632017 656483681 /nfs/dbraw/zinc/48/36/81/656483681.db2.gz KSZCGZFKHKYCLE-NWDGAFQWSA-N 1 0 383.290 1.431 20 0 GDADRO CN1CCOC[C@]1(CO)C[NH2+]Cc1ccc(F)cc1I ZINC000922532540 656489394 /nfs/dbraw/zinc/48/93/94/656489394.db2.gz FFYJWAZWXOKSMA-CQSZACIVSA-N 1 0 394.228 1.213 20 0 GDADRO CN(CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)C(=O)c1ccc(Br)o1 ZINC000874846879 656490555 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CC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000875115535 656510747 /nfs/dbraw/zinc/51/07/47/656510747.db2.gz JGUYJJRGCUBCMK-UHFFFAOYSA-N 1 0 383.290 1.308 20 0 GDADRO CCOc1c(Br)cc(C[NH2+]C[C@@H](O)CS(C)(=O)=O)cc1OC ZINC000922828029 656510960 /nfs/dbraw/zinc/51/09/60/656510960.db2.gz LZBJORVALVTOGP-LLVKDONJSA-N 1 0 396.303 1.352 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ncc(Br)s1 ZINC000875166835 656516192 /nfs/dbraw/zinc/51/61/92/656516192.db2.gz ILHLNETWHNKXLY-VIFPVBQESA-N 1 0 377.308 1.368 20 0 GDADRO Cn1nccc1[C@H](O)C[NH2+]Cc1cccc(F)c1I ZINC000922970534 656520684 /nfs/dbraw/zinc/52/06/84/656520684.db2.gz POHSQNYKZGGLDH-GFCCVEGCSA-N 1 0 375.185 1.987 20 0 GDADRO C[NH+](C)C1(CNC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)CC1 ZINC000923002836 656521805 /nfs/dbraw/zinc/52/18/05/656521805.db2.gz QPMWENOIUSHECV-AWEZNQCLSA-N 1 0 395.301 1.726 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(Br)cn2)C1 ZINC000875224962 656522235 /nfs/dbraw/zinc/52/22/35/656522235.db2.gz 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1.338 20 0 GDADRO COC[C@]1(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C[NH2+]CCO1 ZINC000876753742 656628007 /nfs/dbraw/zinc/62/80/07/656628007.db2.gz NSCFWYGTRKPLKC-YOEHRIQHSA-N 1 0 398.301 1.149 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1Br ZINC000876911973 656639266 /nfs/dbraw/zinc/63/92/66/656639266.db2.gz BHYWSOVWIYTKNR-LLVKDONJSA-N 1 0 376.272 1.760 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H]1CC1(Cl)Cl)N1CCN(c2ccccn2)CC1 ZINC000876937497 656641224 /nfs/dbraw/zinc/64/12/24/656641224.db2.gz WYALBZMUPQCJLG-CYBMUJFWSA-N 1 0 393.340 1.317 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000876935526 656641266 /nfs/dbraw/zinc/64/12/66/656641266.db2.gz AKFBSXIGQWXZIB-CYBMUJFWSA-N 1 0 396.232 1.723 20 0 GDADRO C[C@]12CCN(C(=O)[C@]3(C)C[NH2+]CCO3)C[C@H]1C2(Br)Br ZINC000876958465 656642552 /nfs/dbraw/zinc/64/25/52/656642552.db2.gz DXFQDQSJXITWGF-USWWRNFRSA-N 1 0 396.123 1.719 20 0 GDADRO COC[C@@]1(C(=O)NCC(F)(F)c2ccc(Br)cc2)C[NH2+]CCO1 ZINC000876984683 656644088 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20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)c2cc(S(C)(=O)=O)ccc2Br)C[NH2+]1 ZINC000877052785 656649774 /nfs/dbraw/zinc/64/97/74/656649774.db2.gz WPELKNJGPCKBMX-NXEZZACHSA-N 1 0 375.288 1.723 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000877097942 656652638 /nfs/dbraw/zinc/65/26/38/656652638.db2.gz KYYMOWISLRSSMM-LLVKDONJSA-N 1 0 375.441 1.171 20 0 GDADRO COC(=O)c1csc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000877112841 656654301 /nfs/dbraw/zinc/65/43/01/656654301.db2.gz ZAYZEVIBRVCAHW-UHFFFAOYSA-N 1 0 386.417 1.938 20 0 GDADRO O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000877123266 656654843 /nfs/dbraw/zinc/65/48/43/656654843.db2.gz IPJTXTXWFYJPEJ-CJNGLKHVSA-N 1 0 398.276 1.568 20 0 GDADRO [NH3+][C@H]1CC=C(C(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)C1 ZINC000877124065 656655242 /nfs/dbraw/zinc/65/52/42/656655242.db2.gz SPJHDMCMAAZMII-HNNXBMFYSA-N 1 0 378.270 1.667 20 0 GDADRO COC[C@]1(C(=O)N(C)Cc2ccc(Br)cc2F)C[NH2+]CCO1 ZINC000877129367 656655823 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Cn1nnnc1C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000877295135 656664870 /nfs/dbraw/zinc/66/48/70/656664870.db2.gz JOPPTZPXWMPNDP-ZDUSSCGKSA-N 1 0 379.262 1.379 20 0 GDADRO O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000877313305 656666805 /nfs/dbraw/zinc/66/68/05/656666805.db2.gz QTIORWJQQRJMHZ-QXMXGUDHSA-N 1 0 383.539 1.696 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877341368 656668419 /nfs/dbraw/zinc/66/84/19/656668419.db2.gz AQHQYARMALFEPU-ZDUSSCGKSA-N 1 0 399.925 1.511 20 0 GDADRO COCC[N@@H+]1CC[C@H](N2C(=O)N[C@H](c3ccccc3Br)C2=O)C1 ZINC000924599494 656668918 /nfs/dbraw/zinc/66/89/18/656668918.db2.gz KYDRXOFFBSAECR-SMDDNHRTSA-N 1 0 382.258 1.763 20 0 GDADRO CCOC(=O)N[C@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)CC(C)C ZINC000924609566 656669608 /nfs/dbraw/zinc/66/96/08/656669608.db2.gz BVPPTHVJAJPWMH-HOCLYGCPSA-N 1 0 377.551 1.797 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(I)c[nH]2)C[C@H]1C(F)(F)F ZINC000877363281 656669778 /nfs/dbraw/zinc/66/97/78/656669778.db2.gz DCRJLXGGVLCTLJ-HTRCEHHLSA-N 1 0 387.143 1.829 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877394091 656673253 /nfs/dbraw/zinc/67/32/53/656673253.db2.gz BNHKXKSEZINGIE-YOEHRIQHSA-N 1 0 391.269 1.560 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CCCCCC[NH3+] ZINC000877441588 656674462 /nfs/dbraw/zinc/67/44/62/656674462.db2.gz GNKNNTWTXBQKEH-CYBMUJFWSA-N 1 0 375.922 1.984 20 0 GDADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000877726451 656688921 /nfs/dbraw/zinc/68/89/21/656688921.db2.gz ARCKHYAEQBLTEP-BXUZGUMPSA-N 1 0 386.242 1.888 20 0 GDADRO Cc1c(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)nnn1-c1ccccc1Br ZINC000924987418 656689758 /nfs/dbraw/zinc/68/97/58/656689758.db2.gz FIICLUVCJVWYJN-NWDGAFQWSA-N 1 0 394.273 1.133 20 0 GDADRO CC(=O)N[C@H](CC(=O)NCC[N@H+](C)CCO)c1ccc(Br)cc1 ZINC000925015237 656691685 /nfs/dbraw/zinc/69/16/85/656691685.db2.gz NSXSFWIQOQZUQR-OAHLLOKOSA-N 1 0 386.290 1.057 20 0 GDADRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1c(I)cnn1C ZINC000877776577 656692372 /nfs/dbraw/zinc/69/23/72/656692372.db2.gz PWONDPUBXYYNMD-UWVGGRQHSA-N 1 0 376.242 1.562 20 0 GDADRO CC(C)C[NH+]1CCC(NC(=O)Cc2csc(S[C@H](C)C(N)=O)n2)CC1 ZINC000878076928 656705331 /nfs/dbraw/zinc/70/53/31/656705331.db2.gz XPQLLRQHEYBJLF-GFCCVEGCSA-N 1 0 384.571 1.888 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)c2cc(Br)no2)C1 ZINC000878158562 656709592 /nfs/dbraw/zinc/70/95/92/656709592.db2.gz JGYDDUHWKPHBIM-STQMWFEESA-N 1 0 376.295 1.903 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)C1CCN(S(C)(=O)=O)CC1 ZINC000925589582 656714684 /nfs/dbraw/zinc/71/46/84/656714684.db2.gz ZIMFLQOLCAGCJK-DGCLKSJQSA-N 1 0 385.452 1.189 20 0 GDADRO O=S(=O)(NCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1cccc(Cl)c1Cl ZINC000925669644 656716243 /nfs/dbraw/zinc/71/62/43/656716243.db2.gz CWBIRTALCDVMMD-DLFLCNGJSA-N 1 0 390.336 1.858 20 0 GDADRO C[C@@H]1CN(C[C@H](O)c2cc(Br)no2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878326165 656718595 /nfs/dbraw/zinc/71/85/95/656718595.db2.gz YCIBNBFVOKRKTO-MCIONIFRSA-N 1 0 387.322 1.428 20 0 GDADRO CS[C@@H]1CN(C[C@@H](O)c2cc(Br)no2)C[C@H]1[NH+]1CCCC1 ZINC000878429879 656724617 /nfs/dbraw/zinc/72/46/17/656724617.db2.gz QIYPUPRELFRTPH-NQBHXWOUSA-N 1 0 376.320 1.982 20 0 GDADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccc(I)cc2)C1 ZINC000925900106 656725293 /nfs/dbraw/zinc/72/52/93/656725293.db2.gz RZTDTHYUBNTMTA-CYBMUJFWSA-N 1 0 375.210 1.609 20 0 GDADRO Cc1cc(I)ccc1NC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000925896285 656725339 /nfs/dbraw/zinc/72/53/39/656725339.db2.gz ZPGIACQMVGMVJT-AWEZNQCLSA-N 1 0 389.237 1.917 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000878542188 656732004 /nfs/dbraw/zinc/73/20/04/656732004.db2.gz LHRDQUYHSFHRAM-UHFFFAOYSA-N 1 0 399.333 1.686 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCNCC[NH2+]CC1 ZINC000926075778 656733672 /nfs/dbraw/zinc/73/36/72/656733672.db2.gz JGTBEXMFNICQQD-UHFFFAOYSA-N 1 0 399.289 1.653 20 0 GDADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CCNCC[NH2+]CC1 ZINC000926091888 656735356 /nfs/dbraw/zinc/73/53/56/656735356.db2.gz QRNIZLMKCUGZNN-UHFFFAOYSA-N 1 0 394.277 1.057 20 0 GDADRO Cn1nnnc1CC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000878623286 656737930 /nfs/dbraw/zinc/73/79/30/656737930.db2.gz IYEIQOKPIZULIG-ZDUSSCGKSA-N 1 0 377.798 1.874 20 0 GDADRO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000926159935 656739005 /nfs/dbraw/zinc/73/90/05/656739005.db2.gz VNOZNITUAUBEJM-LLVKDONJSA-N 1 0 376.408 1.398 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCn1cc(Br)cn1)C2 ZINC000926175976 656740055 /nfs/dbraw/zinc/74/00/55/656740055.db2.gz BUBUSUZFYHIXTK-SRABZTEZSA-N 1 0 399.333 1.632 20 0 GDADRO C[N@@H+](C[C@H](O)c1cccc(Br)c1)C[C@@H](O)CC1(O)CCOCC1 ZINC000878709612 656743482 /nfs/dbraw/zinc/74/34/82/656743482.db2.gz PLJTZNQWRUZERM-HOTGVXAUSA-N 1 0 388.302 1.707 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)CC[C@H]1C[NH3+] ZINC000926314167 656747282 /nfs/dbraw/zinc/74/72/82/656747282.db2.gz WRCPFXTYFPOOBS-MNOVXSKESA-N 1 0 388.331 1.912 20 0 GDADRO O=S(=O)(NCCC[NH2+][C@@H]1CCOC12CCOCC2)c1ccccc1Cl ZINC000926350872 656748987 /nfs/dbraw/zinc/74/89/87/656748987.db2.gz HLDMNGPXVDRMOC-MRXNPFEDSA-N 1 0 388.917 1.936 20 0 GDADRO O=S(=O)(NCC[NH2+][C@@H]1CCOC12CCOCC2)c1ccc(F)cc1Cl ZINC000926370459 656750202 /nfs/dbraw/zinc/75/02/02/656750202.db2.gz SVKFCKFOJFIDFD-OAHLLOKOSA-N 1 0 392.880 1.685 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)C1 ZINC000926433479 656754770 /nfs/dbraw/zinc/75/47/70/656754770.db2.gz UICOETBXAXEGOX-JTQLQIEISA-N 1 0 384.249 1.280 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)N1CCc2c(Cl)ccc(Br)c2C1 ZINC000926436787 656755330 /nfs/dbraw/zinc/75/53/30/656755330.db2.gz WMXIWGZOUMHLJI-UHFFFAOYSA-N 1 0 388.693 1.794 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cs1)C(N)=O ZINC000878916075 656759166 /nfs/dbraw/zinc/75/91/66/656759166.db2.gz RUCKFSWPIOPPEV-ZIAGYGMSSA-N 1 0 384.571 1.840 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cs1)C(N)=O ZINC000878985515 656764798 /nfs/dbraw/zinc/76/47/98/656764798.db2.gz GSZLFMXVCXWEJT-JSGCOSHPSA-N 1 0 384.571 1.984 20 0 GDADRO CC[C@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)C(=O)NCc1cccs1 ZINC000926638211 656775482 /nfs/dbraw/zinc/77/54/82/656775482.db2.gz RCWAYPNRVJSEMI-CJNGLKHVSA-N 1 0 387.571 1.793 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cs1)C(N)=O ZINC000879184548 656780314 /nfs/dbraw/zinc/78/03/14/656780314.db2.gz ODRVWGATXUZAEP-SGMGOOAPSA-N 1 0 382.555 1.594 20 0 GDADRO C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000926876426 656781591 /nfs/dbraw/zinc/78/15/91/656781591.db2.gz CKAHHXDZCXKFPZ-VQCLRJIVSA-N 1 0 380.576 1.240 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)ccc1S(=O)(=O)C(F)F ZINC000926988968 656785979 /nfs/dbraw/zinc/78/59/79/656785979.db2.gz UOBJLNBZBUJOCQ-MNOVXSKESA-N 1 0 376.425 1.868 20 0 GDADRO COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000879308687 656787321 /nfs/dbraw/zinc/78/73/21/656787321.db2.gz RDIWFJXXVDUMIH-BFHYXJOUSA-N 1 0 375.535 1.420 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)NCC2(n3cc(Br)cn3)CC2)CCO1 ZINC000927104727 656791164 /nfs/dbraw/zinc/79/11/64/656791164.db2.gz FLQVNTFQDPCNBX-ZDUSSCGKSA-N 1 0 386.294 1.107 20 0 GDADRO CN1CC[NH+](C2CCN([C@@H](C(N)=O)c3ccc(Br)cc3)CC2)CC1 ZINC000879593658 656808109 /nfs/dbraw/zinc/80/81/09/656808109.db2.gz IXFRGDVPNIMCLI-QGZVFWFLSA-N 1 0 395.345 1.687 20 0 GDADRO Cn1nc(Br)cc1NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000879635821 656809941 /nfs/dbraw/zinc/80/99/41/656809941.db2.gz YCELIUMNRMIVRD-UHFFFAOYSA-N 1 0 385.310 1.426 20 0 GDADRO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC000879700777 656820985 /nfs/dbraw/zinc/82/09/85/656820985.db2.gz MVBRPJSMUNNXSW-LSDHHAIUSA-N 1 0 375.535 1.647 20 0 GDADRO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC000879700855 656821131 /nfs/dbraw/zinc/82/11/31/656821131.db2.gz NJJRRYMNLSPNFX-LSDHHAIUSA-N 1 0 375.535 1.599 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(I)c(C)c1C ZINC000927807087 656840161 /nfs/dbraw/zinc/84/01/61/656840161.db2.gz SNBRCMYSSULBNW-MRVPVSSYSA-N 1 0 389.237 1.571 20 0 GDADRO O=C(Nc1ccc(Br)nc1)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000927822557 656842293 /nfs/dbraw/zinc/84/22/93/656842293.db2.gz SASXKBDFNUMTHP-GFCCVEGCSA-N 1 0 397.273 1.058 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(Br)ccc2F)C[C@H]1C(F)(F)F ZINC000927848785 656845537 /nfs/dbraw/zinc/84/55/37/656845537.db2.gz XULOXSGIDBYKHM-VXNVDRBHSA-N 1 0 398.154 1.875 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000927854579 656845572 /nfs/dbraw/zinc/84/55/72/656845572.db2.gz OGPHQULXRJSSOY-LBPRGKRZSA-N 1 0 384.274 1.900 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C[C@H]1[NH3+] ZINC000927855965 656846227 /nfs/dbraw/zinc/84/62/27/656846227.db2.gz ZNPRDHVRJFCNOP-LLVKDONJSA-N 1 0 376.201 1.862 20 0 GDADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1cccc(Br)n1)CC2 ZINC000927876819 656848594 /nfs/dbraw/zinc/84/85/94/656848594.db2.gz RQHUAZIPSUHIDH-LLVKDONJSA-N 1 0 397.273 1.139 20 0 GDADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1ccc(Br)cn1)CC2 ZINC000927876890 656848665 /nfs/dbraw/zinc/84/86/65/656848665.db2.gz SPCZRKZIEDYFJH-LBPRGKRZSA-N 1 0 397.273 1.139 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000879966426 656849123 /nfs/dbraw/zinc/84/91/23/656849123.db2.gz OGZAQMZDWSJIIN-ZFWWWQNUSA-N 1 0 385.555 1.578 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)cc1Br ZINC000927886763 656850731 /nfs/dbraw/zinc/85/07/31/656850731.db2.gz IPNKYVBORPJALD-GFCCVEGCSA-N 1 0 397.317 1.647 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)ccc1Br ZINC000927928535 656854557 /nfs/dbraw/zinc/85/45/57/656854557.db2.gz PHYBGQOMVOIXPW-MRXNPFEDSA-N 1 0 381.274 1.836 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000927928183 656854757 /nfs/dbraw/zinc/85/47/57/656854757.db2.gz ZNRIKSAGRQIZEG-JOYOIKCWSA-N 1 0 384.249 1.721 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000927932793 656855186 /nfs/dbraw/zinc/85/51/86/656855186.db2.gz SBKNIDGHRUWYNA-MRXNPFEDSA-N 1 0 381.274 1.836 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000927933022 656855195 /nfs/dbraw/zinc/85/51/95/656855195.db2.gz XXUNHZDESKVOKX-GXSJLCMTSA-N 1 0 387.221 1.473 20 0 GDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cn(C)nc1Br ZINC000880056832 656860480 /nfs/dbraw/zinc/86/04/80/656860480.db2.gz LDHBXAHNVPGCMH-LLVKDONJSA-N 1 0 386.294 1.900 20 0 GDADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000880071052 656865959 /nfs/dbraw/zinc/86/59/59/656865959.db2.gz RHNNDOQKXJBHNJ-RRFJBIMHSA-N 1 0 375.296 1.874 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc(Cl)ccc1-n1cnnn1 ZINC000928090470 656869407 /nfs/dbraw/zinc/86/94/07/656869407.db2.gz AQMRXQYVWYAWSR-DZGCQCFKSA-N 1 0 378.889 1.625 20 0 GDADRO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000928092584 656870184 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CC[NH+](CC)C[C@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)NC)s2)C1 ZINC000891693770 658265766 /nfs/dbraw/zinc/26/57/66/658265766.db2.gz ZFTLMSNSFNJNIR-CYBMUJFWSA-N 1 0 388.559 1.530 20 0 GDADRO C[C@@]1(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1(Cl)Cl ZINC000891936002 658284456 /nfs/dbraw/zinc/28/44/56/658284456.db2.gz LHVFWOZGJQBUIP-MIJXAVMKSA-N 1 0 377.272 1.147 20 0 GDADRO Cn1cc(Br)c(CNC(=O)NCc2cccc3c2CC[NH2+]C3)n1 ZINC000891936758 658285409 /nfs/dbraw/zinc/28/54/09/658285409.db2.gz ROBRONJCNCLWKG-UHFFFAOYSA-N 1 0 378.274 1.828 20 0 GDADRO Cn1ncc(I)c1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000892030199 658291676 /nfs/dbraw/zinc/29/16/76/658291676.db2.gz DNKJGRWFENLXRX-GFCCVEGCSA-N 1 0 399.236 1.524 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@H](c2nccs2)C1 ZINC000892108440 658296280 /nfs/dbraw/zinc/29/62/80/658296280.db2.gz SKJSOQMHPHBVPZ-NWDGAFQWSA-N 1 0 377.436 1.478 20 0 GDADRO COc1ccc(Br)c(CNC(=O)N2CCN(C)CC[N@H+](C)CC2)c1 ZINC000892138483 658298364 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C[NH+](C)CCn1ccc(NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000900443993 659108081 /nfs/dbraw/zinc/10/80/81/659108081.db2.gz YYCJLRZAKDRTAM-UHFFFAOYSA-N 1 0 385.255 1.515 20 0 GDADRO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900441827 659108255 /nfs/dbraw/zinc/10/82/55/659108255.db2.gz ODSONULACCLZOO-RYUDHWBXSA-N 1 0 387.267 1.098 20 0 GDADRO COc1cc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc(Br)c1OC ZINC000900466504 659111149 /nfs/dbraw/zinc/11/11/49/659111149.db2.gz GEBJXICJZODNFU-MEDUHNTESA-N 1 0 387.274 1.538 20 0 GDADRO C[NH+](C)CCOc1ccc(CCNC(=O)CN2CSCCSC2)cc1 ZINC000900575854 659122856 /nfs/dbraw/zinc/12/28/56/659122856.db2.gz AJKGPAIZVISHTD-UHFFFAOYSA-N 1 0 383.583 1.983 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cs1)C(N)=O ZINC000900660280 659131530 /nfs/dbraw/zinc/13/15/30/659131530.db2.gz CVTOETUKSWXREM-UONOGXRCSA-N 1 0 382.555 1.594 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000900726478 659141316 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O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901177287 659199681 /nfs/dbraw/zinc/19/96/81/659199681.db2.gz IKSHNVKFOOVMTF-RYUDHWBXSA-N 1 0 391.946 1.813 20 0 GDADRO CC[N@@H+]1CCN(C(=O)Cn2nc(Br)c(Br)n2)C[C@H]1C ZINC000901197060 659201472 /nfs/dbraw/zinc/20/14/72/659201472.db2.gz CICTWHMOUKSUKU-MRVPVSSYSA-N 1 0 395.099 1.356 20 0 GDADRO C[C@H]1[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C ZINC000902885428 659282778 /nfs/dbraw/zinc/28/27/78/659282778.db2.gz ADRAWIGMFAFAGU-RRFJBIMHSA-N 1 0 375.535 1.788 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000903064849 659293913 /nfs/dbraw/zinc/29/39/13/659293913.db2.gz ADRSTCFNZMZTBO-ZDUSSCGKSA-N 1 0 375.535 1.836 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000903213856 659302778 /nfs/dbraw/zinc/30/27/78/659302778.db2.gz UYADZAVCHSOQOA-AWEZNQCLSA-N 1 0 377.551 1.941 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)CC(C)(C)C1 ZINC000903226283 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GDADRO [NH3+]C1(CNS(=O)(=O)Cc2cc3c(cc2Br)OCO3)CCCC1 ZINC000903524947 659329450 /nfs/dbraw/zinc/32/94/50/659329450.db2.gz GMCXUKQCMYOLJG-UHFFFAOYSA-N 1 0 391.287 1.869 20 0 GDADRO Cc1sc(C)c(S(=O)(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1C ZINC000903525967 659329851 /nfs/dbraw/zinc/32/98/51/659329851.db2.gz XNEYLBFJWXYZFH-MJBXVCDLSA-N 1 0 385.511 1.229 20 0 GDADRO C[C@H]1CC[C@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C[NH2+]1 ZINC000903525755 659330026 /nfs/dbraw/zinc/33/00/26/659330026.db2.gz ZHDQQSXZZKZOGE-ONGXEEELSA-N 1 0 391.287 1.738 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC000903548951 659337834 /nfs/dbraw/zinc/33/78/34/659337834.db2.gz RZDBXXQTQSUQCP-WMFXKJRFSA-N 1 0 393.292 1.894 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000903548777 659337915 /nfs/dbraw/zinc/33/79/15/659337915.db2.gz AWXRVTCSMIDMDM-GHMZBOCLSA-N 1 0 379.404 1.711 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1cc(Cl)sc1Cl)C2 ZINC000903551511 659338386 /nfs/dbraw/zinc/33/83/86/659338386.db2.gz NRAIATJBIQYADQ-DAROEXNTSA-N 1 0 399.321 1.956 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1cccc(Cl)c1F)C2 ZINC000903551714 659338972 /nfs/dbraw/zinc/33/89/72/659338972.db2.gz WADYLHSGSVEFPQ-WMFXKJRFSA-N 1 0 376.837 1.380 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000903554360 659339310 /nfs/dbraw/zinc/33/93/10/659339310.db2.gz LOTSQXDVNDKUMN-LBPRGKRZSA-N 1 0 380.388 1.768 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(Cl)cc1Cl ZINC000903560550 659341093 /nfs/dbraw/zinc/34/10/93/659341093.db2.gz IZNJDVZYPWPQCH-UPZJHPNMSA-N 1 0 379.265 1.951 20 0 GDADRO COC(=O)C1CCN(S(=O)(=O)NCCCCCC2CC[NH2+]CC2)CC1 ZINC000903561617 659341770 /nfs/dbraw/zinc/34/17/70/659341770.db2.gz LRJYRBSPRPHSEE-UHFFFAOYSA-N 1 0 375.535 1.266 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1I ZINC000903564031 659342018 /nfs/dbraw/zinc/34/20/18/659342018.db2.gz OIBQAGYUPBHWHZ-JIMOISOXSA-N 1 0 392.262 1.771 20 0 GDADRO O=S(=O)(NCc1ccc(CN2CC[NH2+]CC2)cc1)c1cncc(Cl)c1 ZINC000903564096 659342510 /nfs/dbraw/zinc/34/25/10/659342510.db2.gz PSLCLRJASKLMEA-UHFFFAOYSA-N 1 0 380.901 1.619 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903578052 659348883 /nfs/dbraw/zinc/34/88/83/659348883.db2.gz AZACQNYFGKXBQA-UONOGXRCSA-N 1 0 379.404 1.223 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cn1C ZINC000903578200 659349293 /nfs/dbraw/zinc/34/92/93/659349293.db2.gz CWEKUUCUTSOEQR-QWRGUYRKSA-N 1 0 383.392 1.102 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C2 ZINC000903578741 659349801 /nfs/dbraw/zinc/34/98/01/659349801.db2.gz FOVWDUOPXWNSHV-AXFHLTTASA-N 1 0 398.428 1.480 20 0 GDADRO Cc1c(C(=O)N(C)C)occ1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903579503 659350083 /nfs/dbraw/zinc/35/00/83/659350083.db2.gz OFAZOWBOWTVOPP-NXEZZACHSA-N 1 0 383.392 1.190 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000903583959 659353087 /nfs/dbraw/zinc/35/30/87/659353087.db2.gz GOAZILCMCUXMSQ-LBPRGKRZSA-N 1 0 379.404 1.337 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(C(=O)OC)ccc1Br ZINC000903590105 659355999 /nfs/dbraw/zinc/35/59/99/659355999.db2.gz NBFKNTBNWFQGCT-UHFFFAOYSA-N 1 0 393.303 1.854 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@]23CCC[C@H]2C[NH2+]C3)ccc1Cl ZINC000903609728 659361848 /nfs/dbraw/zinc/36/18/48/659361848.db2.gz MYLFBKCHUHSZCD-HZMBPMFUSA-N 1 0 378.903 1.164 20 0 GDADRO CCc1nc(CN(C)C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cs1 ZINC000903730378 659378009 /nfs/dbraw/zinc/37/80/09/659378009.db2.gz JBIAQYZABNLUBT-QWRGUYRKSA-N 1 0 378.420 1.402 20 0 GDADRO O=C(C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000903778330 659380476 /nfs/dbraw/zinc/38/04/76/659380476.db2.gz MHCOTMQIJNWQQA-DOMZBBRYSA-N 1 0 379.448 1.485 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903792978 659380737 /nfs/dbraw/zinc/38/07/37/659380737.db2.gz VQUVJPCWCCQBHY-LLVKDONJSA-N 1 0 398.276 1.541 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)CC[C@H]1[NH3+] ZINC000903791515 659380792 /nfs/dbraw/zinc/38/07/92/659380792.db2.gz GSXZGBLHMAXJHB-IINYFYTJSA-N 1 0 398.276 1.669 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903792338 659380839 /nfs/dbraw/zinc/38/08/39/659380839.db2.gz PXXRKZWANIMTAI-KGLIPLIRSA-N 1 0 398.301 1.137 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903802101 659381740 /nfs/dbraw/zinc/38/17/40/659381740.db2.gz SIOKJOCLAPLBHZ-SWLSCSKDSA-N 1 0 395.301 1.705 20 0 GDADRO O=C1NCCN(C[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(I)cc1 ZINC000903825640 659382575 /nfs/dbraw/zinc/38/25/75/659382575.db2.gz BUZWSPGPFZNBDF-SMDDNHRTSA-N 1 0 385.249 1.374 20 0 GDADRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903970033 659391309 /nfs/dbraw/zinc/39/13/09/659391309.db2.gz PCHBYGIFYBSWLV-ZFWWWQNUSA-N 1 0 387.933 1.732 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(Cc3cccc(F)c3Cl)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000904093681 659395335 /nfs/dbraw/zinc/39/53/35/659395335.db2.gz BWVPCHIAQUBWPU-LOWVWBTDSA-N 1 0 385.848 1.628 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(CSCc3ccccc3)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904096152 659395355 /nfs/dbraw/zinc/39/53/55/659395355.db2.gz GHMXBTRCCNGFBD-RRFJBIMHSA-N 1 0 379.507 1.678 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(OC)c(OC)cc1Br ZINC000904309210 659398842 /nfs/dbraw/zinc/39/88/42/659398842.db2.gz CXOJSPVNBXLWHC-JTQLQIEISA-N 1 0 388.262 1.918 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(CN3C(=O)c4ccc(Br)cc4C3=O)C[C@]2(C)C1 ZINC000904438117 659401243 /nfs/dbraw/zinc/40/12/43/659401243.db2.gz XSYPUZDPNZNKIV-DIFFPNOSSA-N 1 0 378.270 1.886 20 0 GDADRO C[NH+]1CCN(CCOc2ccc(-c3csc(S(N)(=O)=O)c3)cc2)CC1 ZINC000904757808 659407943 /nfs/dbraw/zinc/40/79/43/659407943.db2.gz GLQAKDVFTGKQGV-UHFFFAOYSA-N 1 0 381.523 1.689 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000904985485 659415221 /nfs/dbraw/zinc/41/52/21/659415221.db2.gz AZRVWXYYHQBVEJ-AWEZNQCLSA-N 1 0 398.301 1.244 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000904985486 659415250 /nfs/dbraw/zinc/41/52/50/659415250.db2.gz AZRVWXYYHQBVEJ-CQSZACIVSA-N 1 0 398.301 1.244 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905000018 659416096 /nfs/dbraw/zinc/41/60/96/659416096.db2.gz IBQFWEOOUGZQQF-MEBBXXQBSA-N 1 0 386.315 1.809 20 0 GDADRO CC(C)[NH+]1CCC(NC[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905029566 659417775 /nfs/dbraw/zinc/41/77/75/659417775.db2.gz YKUMMCVTPJJFGT-MRXNPFEDSA-N 1 0 375.579 1.450 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)cc1 ZINC000905048895 659419094 /nfs/dbraw/zinc/41/90/94/659419094.db2.gz GQYXYRHPVLPVRH-LBPRGKRZSA-N 1 0 390.374 1.975 20 0 GDADRO Cc1nc(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)sc1C ZINC000905143374 659426837 /nfs/dbraw/zinc/42/68/37/659426837.db2.gz BMKQTUJONUZHAH-ZDUSSCGKSA-N 1 0 375.560 1.851 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)CC2(O)CCCCC2)s1 ZINC000905175917 659429707 /nfs/dbraw/zinc/42/97/07/659429707.db2.gz IUIPZHCDSLXCJV-CQSZACIVSA-N 1 0 376.544 1.371 20 0 GDADRO C[C@](O)(C[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)C(F)(F)C(F)(F)F ZINC000905200547 659432152 /nfs/dbraw/zinc/43/21/52/659432152.db2.gz LRWAKLPLOQHSRV-GARJFASQSA-N 1 0 381.363 1.261 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CCC[C@@H]2CCCCO2)CCC1 ZINC000905211002 659433388 /nfs/dbraw/zinc/43/33/88/659433388.db2.gz BEPFTFVWCNMBHT-JKSUJKDBSA-N 1 0 376.563 1.927 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CCC[C@H]2CCCCO2)CCC1 ZINC000905210999 659433433 /nfs/dbraw/zinc/43/34/33/659433433.db2.gz BEPFTFVWCNMBHT-HZPDHXFCSA-N 1 0 376.563 1.927 20 0 GDADRO Cc1cc(C[NH2+]C[C@H](O)C2(O)CCOCC2)ccc1I ZINC000905245282 659436624 /nfs/dbraw/zinc/43/66/24/659436624.db2.gz VNZGPYOYZBFNLL-AWEZNQCLSA-N 1 0 391.249 1.592 20 0 GDADRO O=C(CC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)Nc1cc(Cl)cc(Cl)c1 ZINC000905276293 659439118 /nfs/dbraw/zinc/43/91/18/659439118.db2.gz WYZCGTHLRLPFRW-GOEBONIOSA-N 1 0 377.268 1.814 20 0 GDADRO C[C@@](O)(C[NH2+]CC1(N2CCOCC2)CCOCC1)C(F)(F)C(F)(F)F ZINC000905284232 659439582 /nfs/dbraw/zinc/43/95/82/659439582.db2.gz LGGZIKYUPXHQQP-GFCCVEGCSA-N 1 0 376.366 1.406 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000905332026 659443118 /nfs/dbraw/zinc/44/31/18/659443118.db2.gz SCPIWAGWUZENJK-UHFFFAOYSA-N 1 0 377.392 1.167 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000905353692 659446093 /nfs/dbraw/zinc/44/60/93/659446093.db2.gz LESCFMIEBMPKLD-MRXNPFEDSA-N 1 0 386.539 1.660 20 0 GDADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000905357662 659446699 /nfs/dbraw/zinc/44/66/99/659446699.db2.gz XCRBCFTYYHQJBF-JTQLQIEISA-N 1 0 377.308 1.571 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C2(C)C)c1OC ZINC000905360052 659447024 /nfs/dbraw/zinc/44/70/24/659447024.db2.gz VNEWETPINGATHX-GFCCVEGCSA-N 1 0 375.878 1.127 20 0 GDADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000905359213 659447056 /nfs/dbraw/zinc/44/70/56/659447056.db2.gz MYGMBBXINLMBMO-MRXNPFEDSA-N 1 0 386.539 1.489 20 0 GDADRO CC(C)[C@@H](O)C1(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905367323 659448302 /nfs/dbraw/zinc/44/83/02/659448302.db2.gz SDEREDGXIBQDAI-HUUCEWRRSA-N 1 0 376.563 1.375 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CCC1 ZINC000905370910 659448631 /nfs/dbraw/zinc/44/86/31/659448631.db2.gz HZVGIXIXWUSWAR-AGIUHOORSA-N 1 0 384.489 1.126 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC[C@H]2CC(C)(C)CO2)CCC1 ZINC000905479064 659457460 /nfs/dbraw/zinc/45/74/60/659457460.db2.gz PAFKHGGWKNVBEL-GJZGRUSLSA-N 1 0 376.563 1.783 20 0 GDADRO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nc1Br)C(=O)OC(C)(C)C ZINC000905516307 659461174 /nfs/dbraw/zinc/46/11/74/659461174.db2.gz KRRSZQYLDRQIIG-NSHDSACASA-N 1 0 377.283 1.500 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000905557004 659464788 /nfs/dbraw/zinc/46/47/88/659464788.db2.gz LPIPSNZZCRODHF-LSDHHAIUSA-N 1 0 381.416 1.402 20 0 GDADRO C[NH+](C)CCNC(=S)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000905622104 659469987 /nfs/dbraw/zinc/46/99/87/659469987.db2.gz FXTCMBYMAPJDCN-GHMZBOCLSA-N 1 0 384.468 1.810 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000905668747 659473750 /nfs/dbraw/zinc/47/37/50/659473750.db2.gz XGGWTKJWHKVOIV-SOUVJXGZSA-N 1 0 386.539 1.489 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(Cn3nnn(-c4ccc(Br)cc4)c3=O)CC[C@H]21 ZINC000905670644 659474252 /nfs/dbraw/zinc/47/42/52/659474252.db2.gz GVSPQVXHDHEALT-SWLSCSKDSA-N 1 0 393.289 1.175 20 0 GDADRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000905701102 659477081 /nfs/dbraw/zinc/47/70/81/659477081.db2.gz CASGDFBVWRAECC-KCPJHIHWSA-N 1 0 387.274 1.521 20 0 GDADRO O=c1ccn(CCC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)c(=O)[nH]1 ZINC000905702341 659477610 /nfs/dbraw/zinc/47/76/10/659477610.db2.gz OWRKZWSKOWVNQQ-LLVKDONJSA-N 1 0 388.251 1.675 20 0 GDADRO O[C@H](C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)COc1cccc(Cl)c1Cl ZINC000905918438 659494614 /nfs/dbraw/zinc/49/46/14/659494614.db2.gz HINAXWCQPKSQIU-OZVIIMIRSA-N 1 0 380.268 1.225 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906125856 659522229 /nfs/dbraw/zinc/52/22/29/659522229.db2.gz MUDLINUUORMDDU-UHFFFAOYSA-N 1 0 394.317 1.854 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)cn(C3CC3)c2=O)cn1 ZINC000906484267 659546697 /nfs/dbraw/zinc/54/66/97/659546697.db2.gz VWUIZGLAMPDXSY-UHFFFAOYSA-N 1 0 394.273 1.956 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906601582 659559694 /nfs/dbraw/zinc/55/96/94/659559694.db2.gz JACQPPFEQZPKSH-LBPRGKRZSA-N 1 0 397.317 1.311 20 0 GDADRO CO[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)s1 ZINC000906642658 659564408 /nfs/dbraw/zinc/56/44/08/659564408.db2.gz PZOAJCHFKGXQFA-GWCFXTLKSA-N 1 0 376.320 1.560 20 0 GDADRO O=C(Nc1ccnn1Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000906678404 659569104 /nfs/dbraw/zinc/56/91/04/659569104.db2.gz GCDXMTNNBITYGD-LLVKDONJSA-N 1 0 381.889 1.843 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)CC[NH2+]1 ZINC000906683508 659570266 /nfs/dbraw/zinc/57/02/66/659570266.db2.gz HDSJWVKUMGDSGM-MNOVXSKESA-N 1 0 381.889 1.842 20 0 GDADRO O=S(=O)(c1ccc(Cl)cc1)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000906684708 659570936 /nfs/dbraw/zinc/57/09/36/659570936.db2.gz QDJLUXICAISUNY-INIZCTEOSA-N 1 0 387.933 1.103 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c1 ZINC000906716720 659575067 /nfs/dbraw/zinc/57/50/67/659575067.db2.gz ILLBVRLILGTDAM-UHFFFAOYSA-N 1 0 381.274 1.739 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906720984 659575747 /nfs/dbraw/zinc/57/57/47/659575747.db2.gz GGIFNPBQXKOLMG-XXILOJSOSA-N 1 0 385.205 1.239 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000906779431 659585989 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/nfs/dbraw/zinc/43/14/95/946431495.db2.gz NONDNUKAXYEIGT-GJZGRUSLSA-N 1 0 392.410 1.229 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCCN1C(=O)c1cncnc1 ZINC001571310659 946477577 /nfs/dbraw/zinc/47/75/77/946477577.db2.gz LXFGLLBDXYEEMU-RDTXWAMCSA-N 1 0 392.467 1.830 20 0 GDADRO CC[C@H]1CN(C(=O)c2cccnn2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571313461 946522163 /nfs/dbraw/zinc/52/21/63/946522163.db2.gz OWJWPPIBLOMLSJ-DOTOQJQBSA-N 1 0 392.467 1.687 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001571313685 946529538 /nfs/dbraw/zinc/52/95/38/946529538.db2.gz TVRHBPDYLMLYLC-INIZCTEOSA-N 1 0 392.467 1.814 20 0 GDADRO Cc1cc(NCC2CC(NC(=O)c3cc4c([nH]3)CCC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314921 946544532 /nfs/dbraw/zinc/54/45/32/946544532.db2.gz DOFSTDLXCTXRTD-UHFFFAOYSA-N 1 0 392.467 1.429 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571314925 946546743 /nfs/dbraw/zinc/54/67/43/946546743.db2.gz DQISKBJKVOUZAO-OXJNMPFZSA-N 1 0 392.467 1.825 20 0 GDADRO Cc1cc(NC[C@H]2CCN(C(=O)CCc3ccncc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314973 946547008 /nfs/dbraw/zinc/54/70/08/946547008.db2.gz FTRIHNXQSQSQIJ-MRXNPFEDSA-N 1 0 392.467 1.280 20 0 GDADRO Cc1cc(NC2CCN(C(=O)c3cc(C)c(C)cn3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315826 946560316 /nfs/dbraw/zinc/56/03/16/946560316.db2.gz OXOQHBWZYUDUMX-UHFFFAOYSA-N 1 0 392.467 1.721 20 0 GDADRO Cc1ccncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571316504 946579687 /nfs/dbraw/zinc/57/96/87/946579687.db2.gz DTTIFNUHFDJJKF-JXFKEZNVSA-N 1 0 392.467 1.683 20 0 GDADRO Cn1ncc(C2CC2)c1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316492 946580123 /nfs/dbraw/zinc/58/01/23/946580123.db2.gz DMPAOEFUJZGMKD-UHFFFAOYSA-N 1 0 392.467 1.339 20 0 GDADRO O=C(Cc1cc[nH]n1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571316642 946584850 /nfs/dbraw/zinc/58/48/50/946584850.db2.gz JDSMZDQBHIEQEI-AYHJJNSGSA-N 1 0 392.467 1.444 20 0 GDADRO Cc1cncc(CC(=O)N2CC[C@H](N(C)c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571316683 946584940 /nfs/dbraw/zinc/58/49/40/946584940.db2.gz JVWFOMWVZHLHJQ-INIZCTEOSA-N 1 0 392.467 1.553 20 0 GDADRO Cn1cc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC001571317067 946599144 /nfs/dbraw/zinc/59/91/44/946599144.db2.gz UNMIGXKVPNYABK-BMGDILEWSA-N 1 0 392.467 1.489 20 0 GDADRO O=C(c1cnn2c1CCC2)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571317597 946613303 /nfs/dbraw/zinc/61/33/03/946613303.db2.gz NZDSVUBQTOQQHS-HNNXBMFYSA-N 1 0 392.467 1.404 20 0 GDADRO O=C(c1ccnn1C1CCC1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317582 946614208 /nfs/dbraw/zinc/61/42/08/946614208.db2.gz NMUBKOCXSQRWKU-INIZCTEOSA-N 1 0 392.467 1.793 20 0 GDADRO CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC001571317773 946621680 /nfs/dbraw/zinc/62/16/80/946621680.db2.gz VFTDNJUMHJIFQU-UHFFFAOYSA-N 1 0 392.876 1.698 20 0 GDADRO O=C(c1cn2c(n1)CCC2)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317835 946621730 /nfs/dbraw/zinc/62/17/30/946621730.db2.gz WTVUWAYIDFWDDK-HNNXBMFYSA-N 1 0 392.467 1.261 20 0 GDADRO Cn1ncc(Cl)c1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571317845 946624667 /nfs/dbraw/zinc/62/46/67/946624667.db2.gz XELYKIDRYQDYES-VIFPVBQESA-N 1 0 392.876 1.319 20 0 GDADRO Brc1ccc(-c2nn[nH]n2)c(N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC001573279361 946637455 /nfs/dbraw/zinc/63/74/55/946637455.db2.gz GQNCUTQUNJIPBI-GFCCVEGCSA-N 1 0 379.262 1.540 20 0 GDADRO C[C@@H](CCS(C)(=O)=O)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824406269 946684857 /nfs/dbraw/zinc/68/48/57/946684857.db2.gz HBAQMFIPFVBRDJ-AWEZNQCLSA-N 1 0 392.529 1.244 20 0 GDADRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)Cn1ccnc1 ZINC000824428529 946705073 /nfs/dbraw/zinc/70/50/73/946705073.db2.gz SNPSWHGFLUZSSQ-CQSZACIVSA-N 1 0 377.456 1.890 20 0 GDADRO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573538266 946764736 /nfs/dbraw/zinc/76/47/36/946764736.db2.gz RREYEMFVFCOCLR-GUYCJALGSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553883 946794626 /nfs/dbraw/zinc/79/46/26/946794626.db2.gz JVDYMUFASZTIJI-GFCCVEGCSA-N 1 0 377.408 1.503 20 0 GDADRO CC(C)S(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824556011 946798908 /nfs/dbraw/zinc/79/89/08/946798908.db2.gz ZCUPBOLJIPCZFK-CYBMUJFWSA-N 1 0 378.502 1.720 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc([S@@](C)=O)cc1 ZINC000824564160 946803356 /nfs/dbraw/zinc/80/33/56/946803356.db2.gz SRPTWGMVEHQDGB-DBDZUICISA-N 1 0 398.492 1.571 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599907 946851673 /nfs/dbraw/zinc/85/16/73/946851673.db2.gz URZHEGAVVWNPLS-CJNGLKHVSA-N 1 0 394.501 1.006 20 0 GDADRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC000825139133 947094213 /nfs/dbraw/zinc/09/42/13/947094213.db2.gz CCNNEIBCMWWEES-INIZCTEOSA-N 1 0 379.486 1.435 20 0 GDADRO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CCOCC1 ZINC000825140806 947096185 /nfs/dbraw/zinc/09/61/85/947096185.db2.gz LOFTWKIDQNDQGK-INIZCTEOSA-N 1 0 379.486 1.435 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573586616 947292090 /nfs/dbraw/zinc/29/20/90/947292090.db2.gz RYCGKVDVSQVGMQ-KBPBESRZSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CCC1 ZINC001573592620 947342459 /nfs/dbraw/zinc/34/24/59/947342459.db2.gz LHCSKULHEYAEMM-WMLDXEAASA-N 1 0 386.500 1.554 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C1CCC1 ZINC001573592964 947354856 /nfs/dbraw/zinc/35/48/56/947354856.db2.gz OTMFQEYPJNYOIJ-TZMCWYRMSA-N 1 0 392.529 1.616 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C ZINC001573595475 947420034 /nfs/dbraw/zinc/42/00/34/947420034.db2.gz GJAPXLPTFKEEOY-DOMZBBRYSA-N 1 0 392.479 1.597 20 0 GDADRO C[NH2+]C(C)(C)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1 ZINC000826073223 947421982 /nfs/dbraw/zinc/42/19/82/947421982.db2.gz KHMBXZNMSRDUDN-UHFFFAOYSA-N 1 0 389.851 1.825 20 0 GDADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826132625 947446946 /nfs/dbraw/zinc/44/69/46/947446946.db2.gz FLUDUWKCXSOPGR-DNVCBOLYSA-N 1 0 386.456 1.194 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826134317 947448681 /nfs/dbraw/zinc/44/86/81/947448681.db2.gz UYJIXNWLDYCTLW-SIXWZSSISA-N 1 0 389.456 1.318 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000826158676 947500907 /nfs/dbraw/zinc/50/09/07/947500907.db2.gz YNLJERKEVBKIFT-INIZCTEOSA-N 1 0 390.513 1.279 20 0 GDADRO C[C@@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)C(C)(C)C ZINC001573607166 947540478 /nfs/dbraw/zinc/54/04/78/947540478.db2.gz GIGYDFPQGBAGKE-KGLIPLIRSA-N 1 0 389.504 1.235 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573616072 947616709 /nfs/dbraw/zinc/61/67/09/947616709.db2.gz LKHLTXHHLMIDOO-STQMWFEESA-N 1 0 386.485 1.324 20 0 GDADRO COc1cccc(C[C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n1 ZINC000826216040 947634059 /nfs/dbraw/zinc/63/40/59/947634059.db2.gz ICNIKGGXJLHJCA-AWEZNQCLSA-N 1 0 394.483 1.855 20 0 GDADRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826220267 947651513 /nfs/dbraw/zinc/65/15/13/947651513.db2.gz ICMSIDIEDBNWMZ-OAHLLOKOSA-N 1 0 390.451 1.892 20 0 GDADRO C=Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)cc1 ZINC001573358236 947659685 /nfs/dbraw/zinc/65/96/85/947659685.db2.gz CYIUSUIZMLNBRM-MOPGFXCFSA-N 1 0 390.447 1.485 20 0 GDADRO CS[C@@H]1CN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C[C@@H]1[NH+](C)C ZINC000826227826 947668854 /nfs/dbraw/zinc/66/88/54/947668854.db2.gz YIVCHVQAZMCICO-UONOGXRCSA-N 1 0 386.485 1.394 20 0 GDADRO C[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cccn1 ZINC001573620006 947676686 /nfs/dbraw/zinc/67/66/86/947676686.db2.gz ZOTVAORONWHKLA-CQSZACIVSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573628262 947750930 /nfs/dbraw/zinc/75/09/30/947750930.db2.gz JXDFDYAJAQHVCQ-GOEBONIOSA-N 1 0 380.456 1.405 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001573367542 947762001 /nfs/dbraw/zinc/76/20/01/947762001.db2.gz DPCZTLKYKBJMIJ-RHSMWYFYSA-N 1 0 384.484 1.810 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573368304 947767429 /nfs/dbraw/zinc/76/74/29/947767429.db2.gz MMCSRLKHAAAUJJ-PXAZEXFGSA-N 1 0 388.447 1.702 20 0 GDADRO C[C@H](C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001573629277 947777458 /nfs/dbraw/zinc/77/74/58/947777458.db2.gz NEIUYNMJQFCING-XOBRGWDASA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](C(=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(C)C ZINC001573637422 947812951 /nfs/dbraw/zinc/81/29/51/947812951.db2.gz CGLPXXNJVQNCMZ-UONOGXRCSA-N 1 0 387.488 1.395 20 0 GDADRO CC(=O)CCCC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001573375088 947815953 /nfs/dbraw/zinc/81/59/53/947815953.db2.gz QOLHICCTRPTUEX-UHFFFAOYSA-N 1 0 388.447 1.846 20 0 GDADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCCO1 ZINC001573637829 947824265 /nfs/dbraw/zinc/82/42/65/947824265.db2.gz RPUBIIWSAYUTRL-QAPCUYQASA-N 1 0 384.484 1.716 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1cccnc1 ZINC001573638558 947840090 /nfs/dbraw/zinc/84/00/90/947840090.db2.gz PQWAGBORFOWUQP-DZGCQCFKSA-N 1 0 378.440 1.285 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573640175 947851351 /nfs/dbraw/zinc/85/13/51/947851351.db2.gz GOOYDYZUGKPVMH-WMLDXEAASA-N 1 0 377.452 1.756 20 0 GDADRO C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573644040 947868191 /nfs/dbraw/zinc/86/81/91/947868191.db2.gz XGRVSKBSDOYRLS-SWLSCSKDSA-N 1 0 388.447 1.369 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573384668 947906856 /nfs/dbraw/zinc/90/68/56/947906856.db2.gz VEQPGVHHHKKOGF-SAZUREKKSA-N 1 0 388.447 1.750 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccn1 ZINC001573652641 947944632 /nfs/dbraw/zinc/94/46/32/947944632.db2.gz FSNSFLMGOHFDQS-FZMZJTMJSA-N 1 0 386.485 1.370 20 0 GDADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C(=O)N(C)C)CC2)c1-c1nn[nH]n1 ZINC000826331961 947964491 /nfs/dbraw/zinc/96/44/91/947964491.db2.gz FPZFYUFBDFQIHV-UHFFFAOYSA-N 1 0 394.483 1.661 20 0 GDADRO C[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)n1cccn1 ZINC001573654274 947965613 /nfs/dbraw/zinc/96/56/13/947965613.db2.gz QJSUCCADZRNQDL-CXAGYDPISA-N 1 0 380.456 1.309 20 0 GDADRO C[C@H](C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573654706 947969980 /nfs/dbraw/zinc/96/99/80/947969980.db2.gz SWYOKSZWRAQMRA-RNODOKPDSA-N 1 0 392.467 1.579 20 0 GDADRO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573657597 948001342 /nfs/dbraw/zinc/00/13/42/948001342.db2.gz NPWIAKPAERPKFR-KUHUBIRLSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2)n1cccc1 ZINC001573663123 948032633 /nfs/dbraw/zinc/03/26/33/948032633.db2.gz JDOTYBHRNBUMLH-YOEHRIQHSA-N 1 0 392.467 1.800 20 0 GDADRO Cc1onc(CC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c1-c1nn[nH]n1 ZINC000826347803 948060022 /nfs/dbraw/zinc/06/00/22/948060022.db2.gz GTIJUQCCQBDNEJ-UHFFFAOYSA-N 1 0 399.455 1.005 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573666703 948090514 /nfs/dbraw/zinc/09/05/14/948090514.db2.gz VMASKFPRCBDIJR-UONOGXRCSA-N 1 0 381.444 1.195 20 0 GDADRO Cn1cc(CNC[C@@H](O)C[NH+]2CCCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361446 948132237 /nfs/dbraw/zinc/13/22/37/948132237.db2.gz XNABZFWLXACUAI-GOSISDBHSA-N 1 0 396.499 1.204 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573680372 948178588 /nfs/dbraw/zinc/17/85/88/948178588.db2.gz NMCUTSAQFQSTPA-BXUZGUMPSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)[C@@H]1CCCO1 ZINC001573690810 948229718 /nfs/dbraw/zinc/22/97/18/948229718.db2.gz BLPBTWIHGJSKDC-WBMJQRKESA-N 1 0 388.447 1.559 20 0 GDADRO CC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001573439087 948241543 /nfs/dbraw/zinc/24/15/43/948241543.db2.gz IOXDBUOCNMNGND-CYBMUJFWSA-N 1 0 376.486 1.435 20 0 GDADRO O=C1[C@@H](N2CC[C@@H]([NH+]3CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476082 948376903 /nfs/dbraw/zinc/37/69/03/948376903.db2.gz AHQOZHSMGQOEAV-MSOLQXFVSA-N 1 0 381.484 1.532 20 0 GDADRO O=C1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCN1 ZINC000826480455 948394287 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386.435 1.091 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccn1 ZINC001573717574 948511140 /nfs/dbraw/zinc/51/11/40/948511140.db2.gz FVNQKNBGJYRXGT-AWEZNQCLSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573726236 948547252 /nfs/dbraw/zinc/54/72/52/948547252.db2.gz GNWUWVOCWVKPPF-INMHGKMJSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001573727285 948554316 /nfs/dbraw/zinc/55/43/16/948554316.db2.gz LVZILBAHDOKGQJ-KMCQBPLKSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573731705 948594678 /nfs/dbraw/zinc/59/46/78/948594678.db2.gz XOIBIYUFPAZDOP-FRFSOERESA-N 1 0 380.456 1.309 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573731784 948597102 /nfs/dbraw/zinc/59/71/02/948597102.db2.gz YZQOFIRGHLEFJP-UMVBOHGHSA-N 1 0 378.440 1.189 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573746858 948686445 /nfs/dbraw/zinc/68/64/45/948686445.db2.gz LZKMFIUKHUFKCZ-AFAVFJNCSA-N 1 0 380.456 1.141 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573749388 948700710 /nfs/dbraw/zinc/70/07/10/948700710.db2.gz ZLYNXKHHYXJFEP-SOUVJXGZSA-N 1 0 384.488 1.585 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@@H]1CCCO1 ZINC001573752022 948710153 /nfs/dbraw/zinc/71/01/53/948710153.db2.gz JZWUXWQSKCNGRV-SIUGBPQLSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1CCCO1 ZINC001573753133 948717805 /nfs/dbraw/zinc/71/78/05/948717805.db2.gz RHILHLXTJSAJMI-HKUMRIAESA-N 1 0 376.486 1.480 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@H]1CCCO1 ZINC001573753672 948720456 /nfs/dbraw/zinc/72/04/56/948720456.db2.gz WWICSVIMENEROP-LSCFUAHRSA-N 1 0 388.447 1.558 20 0 GDADRO 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CC(C)[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1C ZINC001574081550 948832126 /nfs/dbraw/zinc/83/21/26/948832126.db2.gz UITNPBLKKBMXEC-LYRGGWFBSA-N 1 0 378.427 1.936 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C12CCC[NH+]1CCC2 ZINC001574684425 948869125 /nfs/dbraw/zinc/86/91/25/948869125.db2.gz GAZHOLZPPCDTPZ-GFCCVEGCSA-N 1 0 388.451 1.336 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574432287 948933472 /nfs/dbraw/zinc/93/34/72/948933472.db2.gz IOALESCAOWKAKR-CYBMUJFWSA-N 1 0 380.456 1.688 20 0 GDADRO C[C@H](CNC(=O)CCn1cccc1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574923158 948938967 /nfs/dbraw/zinc/93/89/67/948938967.db2.gz FSUQELBFAWUDKD-CQSZACIVSA-N 1 0 385.447 1.834 20 0 GDADRO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCNc1ncccc1-c1nn[nH]n1 ZINC001574686758 948939497 /nfs/dbraw/zinc/93/94/97/948939497.db2.gz LBQIUCIJHXDYHI-GOEBONIOSA-N 1 0 386.504 1.831 20 0 GDADRO C[C@@H](CNC(=O)CCn1cccn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923238 948942086 /nfs/dbraw/zinc/94/20/86/948942086.db2.gz IDNHOBPAXRXISF-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCCCO1 ZINC001573773743 948994727 /nfs/dbraw/zinc/99/47/27/948994727.db2.gz GOQWUIUALLSZBP-OAHLLOKOSA-N 1 0 385.472 1.340 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)nc2)CC1)[NH+]1CCCCC1 ZINC001573775468 949041597 /nfs/dbraw/zinc/04/15/97/949041597.db2.gz XFKDXBIVKNSHQR-UHFFFAOYSA-N 1 0 384.488 1.587 20 0 GDADRO CC(C)(C(=O)NC[C@H](Nc1ccc(-c2nn[nH]n2)nc1)C1CC1)[NH+]1CCCC1 ZINC001573775670 949047698 /nfs/dbraw/zinc/04/76/98/949047698.db2.gz ZVOUTJHWFRUNEQ-INIZCTEOSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](CN(C)C(=O)C(C)(C)c1cnc[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574693758 949059002 /nfs/dbraw/zinc/05/90/02/949059002.db2.gz IPKZGRCLJGROIL-ZDUSSCGKSA-N 1 0 382.472 1.504 20 0 GDADRO CC(C)(C(=O)NC[C@H]1CCCN1c1ncccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573779487 949062429 /nfs/dbraw/zinc/06/24/29/949062429.db2.gz JUNGKFSQBGWUJA-CQSZACIVSA-N 1 0 384.488 1.221 20 0 GDADRO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574693813 949066005 /nfs/dbraw/zinc/06/60/05/949066005.db2.gz JVKHULRKJWKLMH-AWEZNQCLSA-N 1 0 386.504 1.785 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)n1cccc1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575249384 949095952 /nfs/dbraw/zinc/09/59/52/949095952.db2.gz BEJVCLCCGCJWLL-HUUCEWRRSA-N 1 0 379.468 1.866 20 0 GDADRO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001574093653 949115519 /nfs/dbraw/zinc/11/55/19/949115519.db2.gz XEWLWZZFAWVFDW-IMSKVBIZSA-N 1 0 384.459 1.844 20 0 GDADRO C[C@H](NC(=O)C(F)F)[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575251021 949126382 /nfs/dbraw/zinc/12/63/82/949126382.db2.gz KBZGQMIFBQQOFY-CMPLNLGQSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575251391 949137958 /nfs/dbraw/zinc/13/79/58/949137958.db2.gz BMHAHUUDZIPPMA-GHMZBOCLSA-N 1 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C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001574698193 949179059 /nfs/dbraw/zinc/17/90/59/949179059.db2.gz HCDDGIBDWJHPPB-HUUCEWRRSA-N 1 0 386.504 1.785 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1c[nH]cn1 ZINC001573787608 949184641 /nfs/dbraw/zinc/18/46/41/949184641.db2.gz ZCSGCGXCDOEWOS-HDJSIYSDSA-N 1 0 380.456 1.304 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)n1cccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574698501 949196639 /nfs/dbraw/zinc/19/66/39/949196639.db2.gz LTFYGNBDAYRBRX-CHWSQXEVSA-N 1 0 386.435 1.400 20 0 GDADRO CC(C)c1oncc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574449885 949201893 /nfs/dbraw/zinc/20/18/93/949201893.db2.gz UQFLXYRPCZWTCV-CQSZACIVSA-N 1 0 381.440 1.982 20 0 GDADRO CC1(Nc2ncc(-c3nn[nH]n3)cc2F)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001575853585 949214637 /nfs/dbraw/zinc/21/46/37/949214637.db2.gz UKRNXVCCTOONEG-UHFFFAOYSA-N 1 0 388.451 1.290 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001575853850 949217664 /nfs/dbraw/zinc/21/76/64/949217664.db2.gz OBKBFKAPMQXENB-UHFFFAOYSA-N 1 0 388.819 1.432 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)Nc1nccnc1-c1nn[nH]n1 ZINC001574698914 949219465 /nfs/dbraw/zinc/21/94/65/949219465.db2.gz PYFRZUHGXLZWLE-ZIAGYGMSSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@H](c1cnccn1)[N@@H+]1CC[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575517298 949227933 /nfs/dbraw/zinc/22/79/33/949227933.db2.gz VASUUUSJDCXSJT-OLZOCXBDSA-N 1 0 381.444 1.188 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@@](CO)([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573791818 949228385 /nfs/dbraw/zinc/22/83/85/949228385.db2.gz GMFBFJMGTKLSMB-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575255936 949241764 /nfs/dbraw/zinc/24/17/64/949241764.db2.gz SMQXWFXJIHQWPH-VXGBXAGGSA-N 1 0 388.451 1.334 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574940556 949265761 /nfs/dbraw/zinc/26/57/61/949265761.db2.gz GXSCXUZXSRIDDV-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO CC(C)CC(=O)N1CCC[C@H]([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574106141 949271874 /nfs/dbraw/zinc/27/18/74/949271874.db2.gz FNQYRMLHRMIGKU-SFHVURJKSA-N 1 0 386.500 1.698 20 0 GDADRO C[C@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574702643 949284031 /nfs/dbraw/zinc/28/40/31/949284031.db2.gz JUPXNMNJDLQMNC-SNVBAGLBSA-N 1 0 383.378 1.675 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574941185 949294020 /nfs/dbraw/zinc/29/40/20/949294020.db2.gz OWWNCWVHLNSURT-AWEZNQCLSA-N 1 0 391.479 1.934 20 0 GDADRO C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574702903 949297181 /nfs/dbraw/zinc/29/71/81/949297181.db2.gz NQGZUYBEQRFJPB-NSHDSACASA-N 1 0 392.895 1.658 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc2c(c1)CCO2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574941449 949303241 /nfs/dbraw/zinc/30/32/41/949303241.db2.gz QRLDTMJTVYOTCV-AWEZNQCLSA-N 1 0 392.463 1.639 20 0 GDADRO CC(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574109273 949314564 /nfs/dbraw/zinc/31/45/64/949314564.db2.gz WMIQAEOHIKRPCO-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccc(F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574941892 949322662 /nfs/dbraw/zinc/32/26/62/949322662.db2.gz UWMBNMPODNITDB-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@H](NC(=O)C1=CCOCC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575259660 949332222 /nfs/dbraw/zinc/33/22/22/949332222.db2.gz PWRMMMZUWFHOQA-LBPRGKRZSA-N 1 0 386.431 1.289 20 0 GDADRO CC(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574110135 949349109 /nfs/dbraw/zinc/34/91/09/949349109.db2.gz RCADUOXJDOWVRH-OCCSQVGLSA-N 1 0 378.502 1.680 20 0 GDADRO CC(C)(C)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573797053 949351078 /nfs/dbraw/zinc/35/10/78/949351078.db2.gz ZELIXRQHTQJADV-CQSZACIVSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)n1ccc(C[NH2+]C2CC(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001574459363 949351025 /nfs/dbraw/zinc/35/10/25/949351025.db2.gz BWZWHJWRRGPDLH-UHFFFAOYSA-N 1 0 383.460 1.270 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574703799 949351585 /nfs/dbraw/zinc/35/15/85/949351585.db2.gz YMFHMHNTXHVOSH-BFUOFWGJSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CN(C)C(=O)C1CC(F)(F)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574703970 949363155 /nfs/dbraw/zinc/36/31/55/949363155.db2.gz INDXWAWJVXLNJB-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)n1ccc(CC(=O)NCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)n1 ZINC001574460149 949370418 /nfs/dbraw/zinc/37/04/18/949370418.db2.gz QIYOLQSYGZKNOY-UHFFFAOYSA-N 1 0 382.472 1.435 20 0 GDADRO C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575262832 949385549 /nfs/dbraw/zinc/38/55/49/949385549.db2.gz CMCKMOYFHBEGED-CHWSQXEVSA-N 1 0 377.452 1.404 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCCOCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263138 949386457 /nfs/dbraw/zinc/38/64/57/949386457.db2.gz DYXMKLCLEGKJQT-GDBMZVCRSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574944322 949387666 /nfs/dbraw/zinc/38/76/66/949387666.db2.gz AEQJKOURVHDLKK-NSHDSACASA-N 1 0 387.394 1.377 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCCOCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263141 949390727 /nfs/dbraw/zinc/39/07/27/949390727.db2.gz DYXMKLCLEGKJQT-HOCLYGCPSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574704522 949391676 /nfs/dbraw/zinc/39/16/76/949391676.db2.gz OBQWHSLACVBZAX-YOEHRIQHSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)n1cnc(C(=O)NCCC[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC001574463918 949392628 /nfs/dbraw/zinc/39/26/28/949392628.db2.gz BFKWTAZAKZFNDB-UHFFFAOYSA-N 1 0 386.435 1.693 20 0 GDADRO C[C@@H](CNC(=O)Cc1cncs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574944819 949400611 /nfs/dbraw/zinc/40/06/11/949400611.db2.gz GTWATOBFPOEAOB-JTQLQIEISA-N 1 0 377.499 1.564 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCC1(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704871 949409474 /nfs/dbraw/zinc/40/94/74/949409474.db2.gz FJBMVOZSQDCWEK-GWCFXTLKSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574705202 949417188 /nfs/dbraw/zinc/41/71/88/949417188.db2.gz SCHVJXCRIDGKNZ-YOEHRIQHSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001574468904 949473860 /nfs/dbraw/zinc/47/38/60/949473860.db2.gz UXVOLQTZLYNIPG-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@]1(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)CCCOC1 ZINC001575538007 949506982 /nfs/dbraw/zinc/50/69/82/949506982.db2.gz ZODBSXLKEXBBIT-GOSISDBHSA-N 1 0 390.513 1.826 20 0 GDADRO C[C@H](CC(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccncc1 ZINC001574470735 949512907 /nfs/dbraw/zinc/51/29/07/949512907.db2.gz FUNNOMKQLHRLSM-ZIAGYGMSSA-N 1 0 380.456 1.531 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575538869 949531027 /nfs/dbraw/zinc/53/10/27/949531027.db2.gz KBBRWRBOHFRGRA-LIRRHRJNSA-N 1 0 388.447 1.513 20 0 GDADRO CC(C)n1nnc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001574471167 949533144 /nfs/dbraw/zinc/53/31/44/949533144.db2.gz LAGPGZWNGNZGBP-UHFFFAOYSA-N 1 0 399.463 1.030 20 0 GDADRO C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575269200 949540311 /nfs/dbraw/zinc/54/03/11/949540311.db2.gz SBIWSIXWOJUGRT-KGLIPLIRSA-N 1 0 385.472 1.288 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575872339 949545256 /nfs/dbraw/zinc/54/52/56/949545256.db2.gz IAZZWKFRDCUSQO-UKRRQHHQSA-N 1 0 384.488 1.220 20 0 GDADRO C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576164284 949555426 /nfs/dbraw/zinc/55/54/26/949555426.db2.gz GOQHPTVSYYAUGC-ZJOBFFGXSA-N 1 0 385.472 1.338 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2=CCOCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575872915 949563447 /nfs/dbraw/zinc/56/34/47/949563447.db2.gz MBECOIPEFVDAND-WFASDCNBSA-N 1 0 388.497 1.744 20 0 GDADRO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576166012 949572686 /nfs/dbraw/zinc/57/26/86/949572686.db2.gz KUGUJKLBMLAUCI-YOEHRIQHSA-N 1 0 389.504 1.794 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cnoc1 ZINC001573810830 949580594 /nfs/dbraw/zinc/58/05/94/949580594.db2.gz DOYMQHAVXAGECP-AWEZNQCLSA-N 1 0 389.485 1.779 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)[N@@H+]1CCCC[C@H]1C ZINC001576166644 949582582 /nfs/dbraw/zinc/58/25/82/949582582.db2.gz NBZYVZADDUTZTE-NEPJUHHUSA-N 1 0 382.465 1.547 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@]1(F)CCOC1 ZINC001573810819 949582963 /nfs/dbraw/zinc/58/29/63/949582963.db2.gz DKVFZAJLDIGGGX-DNVCBOLYSA-N 1 0 390.463 1.616 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)[N@@H+]1CCCC[C@H]1C ZINC001576166647 949585796 /nfs/dbraw/zinc/58/57/96/949585796.db2.gz NBZYVZADDUTZTE-VXGBXAGGSA-N 1 0 382.465 1.547 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ccncn1 ZINC001573811196 949597300 /nfs/dbraw/zinc/59/73/00/949597300.db2.gz ISRBGGXAGWFHNL-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]CC1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573811549 949599813 /nfs/dbraw/zinc/59/98/13/949599813.db2.gz LKJLTMWMXZOFRH-OAHLLOKOSA-N 1 0 375.477 1.356 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001575270717 949602566 /nfs/dbraw/zinc/60/25/66/949602566.db2.gz FNKLUWOMOHXDRG-UONOGXRCSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574713707 949608914 /nfs/dbraw/zinc/60/89/14/949608914.db2.gz BIXFJNIYAWBKBV-QWHCGFSZSA-N 1 0 375.452 1.606 20 0 GDADRO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576167571 949613549 /nfs/dbraw/zinc/61/35/49/949613549.db2.gz QRHIOMYPTGESED-YOEHRIQHSA-N 1 0 389.504 1.794 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574957477 949615724 /nfs/dbraw/zinc/61/57/24/949615724.db2.gz YSYPTBQYIDWNRQ-DOZNAXDZSA-N 1 0 386.431 1.024 20 0 GDADRO CC1(C(=O)N2CCCO[C@H](C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CC1 ZINC001575547003 949618113 /nfs/dbraw/zinc/61/81/13/949618113.db2.gz VGKZVLLYFCOWMF-CQSZACIVSA-N 1 0 388.447 1.513 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ccnnc1 ZINC001573812577 949619262 /nfs/dbraw/zinc/61/92/62/949619262.db2.gz SLBUHZZGCDMQOO-AWEZNQCLSA-N 1 0 386.485 1.653 20 0 GDADRO CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574128252 949623521 /nfs/dbraw/zinc/62/35/21/949623521.db2.gz MTGGVQADMONRHV-QGZVFWFLSA-N 1 0 388.516 1.848 20 0 GDADRO C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575271845 949627781 /nfs/dbraw/zinc/62/77/81/949627781.db2.gz MVDVISCEWAWJEX-LSDHHAIUSA-N 1 0 386.504 1.325 20 0 GDADRO C[C@H](CC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cccn1 ZINC001574476954 949629692 /nfs/dbraw/zinc/62/96/92/949629692.db2.gz MJTBQZPLJSOFEF-CQSZACIVSA-N 1 0 383.460 1.394 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574715138 949641284 /nfs/dbraw/zinc/64/12/84/949641284.db2.gz BONSSQKULYEFMN-UONOGXRCSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574715178 949645384 /nfs/dbraw/zinc/64/53/84/949645384.db2.gz HHPIQGSQGKCGBI-CWTRNNRKSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716354 949688358 /nfs/dbraw/zinc/68/83/58/949688358.db2.gz JVMDODDTIRYZKM-CHWSQXEVSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574716376 949691007 /nfs/dbraw/zinc/69/10/07/949691007.db2.gz NSDNOTHVYXBEIM-UKRRQHHQSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](NC(=O)CCc1cn[nH]c1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575276320 949714882 /nfs/dbraw/zinc/71/48/82/949714882.db2.gz IRBUVNNTIVYGJD-ZDUSSCGKSA-N 1 0 380.456 1.159 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575881676 949727098 /nfs/dbraw/zinc/72/70/98/949727098.db2.gz ZNQKGDGLWNPDJK-KXBFYZLASA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881733 949729359 /nfs/dbraw/zinc/72/93/59/949729359.db2.gz AENUDJWOGUHWOE-PBHICJAKSA-N 1 0 380.456 1.233 20 0 GDADRO C[C@H](CN(C)C(=O)CC1(O)CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574717340 949733677 /nfs/dbraw/zinc/73/36/77/949733677.db2.gz VGSCVGWTGYENOH-GFCCVEGCSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575882062 949752702 /nfs/dbraw/zinc/75/27/02/949752702.db2.gz FWPSSDRFSLUINU-KMJFJPQNSA-N 1 0 382.468 1.228 20 0 GDADRO C[C@H](NC(=O)CCc1cccnc1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575277627 949753539 /nfs/dbraw/zinc/75/35/39/949753539.db2.gz RKYCTJSZPUVGLR-HNNXBMFYSA-N 1 0 391.479 1.831 20 0 GDADRO C[C@@H](NC(=O)CCc1ccncc1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575277847 949756047 /nfs/dbraw/zinc/75/60/47/949756047.db2.gz RTBKBZSFLHRDAP-OAHLLOKOSA-N 1 0 391.479 1.831 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1(C)CCOCC1 ZINC001575559627 949760598 /nfs/dbraw/zinc/76/05/98/949760598.db2.gz WWDPSYIRHMFVJH-OAHLLOKOSA-N 1 0 387.488 1.443 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cncc(-c2nn[nH]n2)n1 ZINC001576171472 949766520 /nfs/dbraw/zinc/76/65/20/949766520.db2.gz QZICDDHHQOXYOU-DZGCQCFKSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C[NH2+]CC1CCOCC1 ZINC001576171530 949772499 /nfs/dbraw/zinc/77/24/99/949772499.db2.gz RQCLHBDQFTZXIQ-CXAGYDPISA-N 1 0 387.488 1.452 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1cncc(-c2nn[nH]n2)n1 ZINC001576172068 949792621 /nfs/dbraw/zinc/79/26/21/949792621.db2.gz UMZKSILVGFZCRF-UKRRQHHQSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574481634 949793330 /nfs/dbraw/zinc/79/33/30/949793330.db2.gz SLIYMGRDLWSEHM-GHMZBOCLSA-N 1 0 383.378 1.533 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1nccnc1-c1nn[nH]n1 ZINC001576172290 949798008 /nfs/dbraw/zinc/79/80/08/949798008.db2.gz WCCDZBHELSTOFI-KGLIPLIRSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@H](CN(C)C(=O)CCCn1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574720702 949802378 /nfs/dbraw/zinc/80/23/78/949802378.db2.gz GCSNNTDIHXECPF-OAHLLOKOSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cc2cnoc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575885334 949863214 /nfs/dbraw/zinc/86/32/14/949863214.db2.gz WJULPYVZFJCRDL-SUMWQHHRSA-N 1 0 381.440 1.567 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cc2cnoc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575885332 949863261 /nfs/dbraw/zinc/86/32/61/949863261.db2.gz WJULPYVZFJCRDL-GUYCJALGSA-N 1 0 381.440 1.567 20 0 GDADRO C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574724075 949864301 /nfs/dbraw/zinc/86/43/01/949864301.db2.gz FGJPWNOLPYBJIP-NSHDSACASA-N 1 0 392.895 1.658 20 0 GDADRO C[C@@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575283311 949867352 /nfs/dbraw/zinc/86/73/52/949867352.db2.gz OGSIWIIVLZJMOF-HIFRSBDPSA-N 1 0 385.472 1.409 20 0 GDADRO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574724641 949879806 /nfs/dbraw/zinc/87/98/06/949879806.db2.gz IMXIOEXNQGCXGI-NSHDSACASA-N 1 0 380.884 1.514 20 0 GDADRO C[C@@H](CNC(=O)c1c(F)cncc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 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/nfs/dbraw/zinc/96/57/73/949965773.db2.gz SMKNFKKJPNICIZ-ZDUSSCGKSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CN(C)C(=O)COC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574727753 949980719 /nfs/dbraw/zinc/98/07/19/949980719.db2.gz YXFXPOFMWQBBRE-LBPRGKRZSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574490325 949987809 /nfs/dbraw/zinc/98/78/09/949987809.db2.gz PUYPZFXYQJVXQJ-WOSRLPQWSA-N 1 0 381.440 1.729 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575573954 950008604 /nfs/dbraw/zinc/00/86/04/950008604.db2.gz QNJZJSCUNASHKG-OXJNMPFZSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574491271 950028736 /nfs/dbraw/zinc/02/87/36/950028736.db2.gz BSIFGLFWDPUHEX-GDBMZVCRSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ncccn2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576182063 950033413 /nfs/dbraw/zinc/03/34/13/950033413.db2.gz 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ZINC001575899499 950169018 /nfs/dbraw/zinc/16/90/18/950169018.db2.gz WXDKECASKFILKD-KBXCAEBGSA-N 1 0 379.468 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H](O)c1ccccc1F ZINC001574738631 950175578 /nfs/dbraw/zinc/17/55/78/950175578.db2.gz HHVPSGAEVWBYSO-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573844076 950184591 /nfs/dbraw/zinc/18/45/91/950184591.db2.gz ACXMSELTZCBCPE-LJQANCHMSA-N 1 0 389.504 1.578 20 0 GDADRO C[C@H]1CCN(C(=O)c2cnco2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576191115 950185713 /nfs/dbraw/zinc/18/57/13/950185713.db2.gz DPIHLNZVRLOGKO-BBRMVZONSA-N 1 0 381.440 1.743 20 0 GDADRO C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C[NH2+]Cc1cncs1 ZINC001576191421 950197163 /nfs/dbraw/zinc/19/71/63/950197163.db2.gz HUJDHECJCLJPJT-YPMHNXCESA-N 1 0 386.485 1.539 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001576191422 950197577 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NTRAUTNHUDYZJR-BDJLRTHQSA-N 1 0 385.403 1.316 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1ccon1 ZINC001575901460 950233735 /nfs/dbraw/zinc/23/37/35/950233735.db2.gz NTRAUTNHUDYZJR-MEDUHNTESA-N 1 0 385.403 1.316 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ccnnc1 ZINC001575901630 950237435 /nfs/dbraw/zinc/23/74/35/950237435.db2.gz PFVMRJYOJCAVHK-BDJLRTHQSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1ncc[nH]1 ZINC001575902015 950247186 /nfs/dbraw/zinc/24/71/86/950247186.db2.gz RNAFQXQVBKGJIR-IAQYHMDHSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575588786 950251713 /nfs/dbraw/zinc/25/17/13/950251713.db2.gz SHZJVCACDHGCOV-JXFKEZNVSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cocn2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576192635 950254886 /nfs/dbraw/zinc/25/48/86/950254886.db2.gz OFZGYBHYYXFMCU-UKRRQHHQSA-N 1 0 381.440 1.743 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1ccoc1 ZINC001575902695 950266724 /nfs/dbraw/zinc/26/67/24/950266724.db2.gz WXRWSZGBPMDDAO-SJKOYZFVSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)[C@H]1CCCO1 ZINC001574498442 950273693 /nfs/dbraw/zinc/27/36/93/950273693.db2.gz NHOKJPBHJSGMFQ-TZMCWYRMSA-N 1 0 390.513 1.872 20 0 GDADRO C[C@@H](CC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001574498712 950285266 /nfs/dbraw/zinc/28/52/66/950285266.db2.gz PUTVKCLDRHCPTL-YOEHRIQHSA-N 1 0 384.484 1.810 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCCO1 ZINC001574158760 950288204 /nfs/dbraw/zinc/28/82/04/950288204.db2.gz SAPMYBYXOKIQAW-CABCVRRESA-N 1 0 387.488 1.586 20 0 GDADRO C[C@@]1(C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCCOC1 ZINC001575592550 950292808 /nfs/dbraw/zinc/29/28/08/950292808.db2.gz BTDJMOVTJUKFDP-FFPCURRISA-N 1 0 388.447 1.585 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cscn1 ZINC001575905699 950297648 /nfs/dbraw/zinc/29/76/48/950297648.db2.gz DHQTXDWJQDFFSY-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ncccc1F ZINC001575906344 950311809 /nfs/dbraw/zinc/31/18/09/950311809.db2.gz HQBPQUJVIDVRQF-GXFFZTMASA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cccn1C ZINC001575907157 950326428 /nfs/dbraw/zinc/32/64/28/950326428.db2.gz LYVPIJVDRMGULV-LRDDRELGSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574744275 950349831 /nfs/dbraw/zinc/34/98/31/950349831.db2.gz YFXYGFXVBNKEOL-XDTLVQLUSA-N 1 0 382.390 1.844 20 0 GDADRO CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CCCO2)CC1 ZINC001575595221 950353729 /nfs/dbraw/zinc/35/37/29/950353729.db2.gz NPMRFABKSADMSM-LBPRGKRZSA-N 1 0 376.486 1.435 20 0 GDADRO CC(C)C[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574161295 950354191 /nfs/dbraw/zinc/35/41/91/950354191.db2.gz SJNYCQBJTSNJDA-RBSFLKMASA-N 1 0 386.504 1.545 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1cncnc1 ZINC001575908523 950370549 /nfs/dbraw/zinc/37/05/49/950370549.db2.gz CPGGRRVKAWHFDQ-RDTXWAMCSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575596396 950376992 /nfs/dbraw/zinc/37/69/92/950376992.db2.gz DNWFLTBBXAOUSP-XAUMDUMWSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccncc1F ZINC001575908743 950379166 /nfs/dbraw/zinc/37/91/66/950379166.db2.gz DSBLZQQIGFGGLA-YVEFUNNKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC(Nc3cccc(F)c3-c3nn[nH]n3)CC2)C1 ZINC001576197503 950396324 /nfs/dbraw/zinc/39/63/24/950396324.db2.gz PAUXKVFHTINAIQ-ZDUSSCGKSA-N 1 0 387.463 1.751 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575909893 950407949 /nfs/dbraw/zinc/40/79/49/950407949.db2.gz IUTKENXDJWIILX-CJNGLKHVSA-N 1 0 392.467 1.402 20 0 GDADRO CC1CC[NH+](CC(=O)N2CC[C@@H](CNc3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001576199484 950422920 /nfs/dbraw/zinc/42/29/20/950422920.db2.gz ZJENBRJBFNMSIL-HNNXBMFYSA-N 1 0 384.488 1.254 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574751462 950461301 /nfs/dbraw/zinc/46/13/01/950461301.db2.gz NVMROJVSVKPORN-LBPRGKRZSA-N 1 0 380.456 1.463 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576204562 950467930 /nfs/dbraw/zinc/46/79/30/950467930.db2.gz QEAAOPCDUVWELM-NWDGAFQWSA-N 1 0 376.440 1.049 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[C@H](C)n1cccn1 ZINC001574508053 950468693 /nfs/dbraw/zinc/46/86/93/950468693.db2.gz LWXRVIAHAYWZDN-STQMWFEESA-N 1 0 386.435 1.448 20 0 GDADRO CC(C)CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCC1 ZINC001574166655 950472307 /nfs/dbraw/zinc/47/23/07/950472307.db2.gz VBVLBCYFDYDARW-ZDUSSCGKSA-N 1 0 392.529 1.711 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cncc(F)c1 ZINC001575912987 950474047 /nfs/dbraw/zinc/47/40/47/950474047.db2.gz SKEVERIZPNWQPR-SJKOYZFVSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(F)cn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574752353 950482581 /nfs/dbraw/zinc/48/25/81/950482581.db2.gz BOKZJIHOYVIHHE-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCc1ccc2c(c1)CCO2 ZINC001574994656 950489310 /nfs/dbraw/zinc/48/93/10/950489310.db2.gz WDYLBEWDJXMFNF-LBPRGKRZSA-N 1 0 381.440 1.080 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CCN(c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576205133 950496307 /nfs/dbraw/zinc/49/63/07/950496307.db2.gz VCTCEHXFHMRGSM-ORAYPTAESA-N 1 0 387.463 1.433 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[C@H](C)n1ccnc1 ZINC001574509250 950502815 /nfs/dbraw/zinc/50/28/15/950502815.db2.gz UKZJTVSADFAVGU-STQMWFEESA-N 1 0 386.435 1.448 20 0 GDADRO CC(C)c1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nn1C ZINC001574995661 950509329 /nfs/dbraw/zinc/50/93/29/950509329.db2.gz GFLQLCBVKHFREF-CYBMUJFWSA-N 1 0 382.472 1.632 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574995671 950513992 /nfs/dbraw/zinc/51/39/92/950513992.db2.gz GJRYKYZSOJJYHA-GFCCVEGCSA-N 1 0 382.472 1.795 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(F)cn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574753239 950514556 /nfs/dbraw/zinc/51/45/56/950514556.db2.gz JYWMLMXSORALTE-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574509824 950537096 /nfs/dbraw/zinc/53/70/96/950537096.db2.gz YNRNPFOSXWPXGA-OFQRWUPVSA-N 1 0 392.467 1.579 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)C2CC2)C1 ZINC001576206066 950560215 /nfs/dbraw/zinc/56/02/15/950560215.db2.gz UEXQOQGLPVWUDM-ABAIWWIYSA-N 1 0 388.451 1.049 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576206966 950587819 /nfs/dbraw/zinc/58/78/19/950587819.db2.gz ZWZCXRJKOAFSTM-KBPBESRZSA-N 1 0 387.463 1.290 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574999754 950588838 /nfs/dbraw/zinc/58/88/38/950588838.db2.gz MVKVOUOVLUHRQD-SNVBAGLBSA-N 1 0 391.838 1.906 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[C@H](C)n1ccnc1 ZINC001574512993 950589433 /nfs/dbraw/zinc/58/94/33/950589433.db2.gz FWHMKHLLWATDMI-OLZOCXBDSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[C@H](C)n1cccn1 ZINC001574513269 950600763 /nfs/dbraw/zinc/60/07/63/950600763.db2.gz LWXRVIAHAYWZDN-OLZOCXBDSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574759052 950625854 /nfs/dbraw/zinc/62/58/54/950625854.db2.gz KDNHRJWSMPZINL-GFCCVEGCSA-N 1 0 378.440 1.529 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574515697 950631797 /nfs/dbraw/zinc/63/17/97/950631797.db2.gz DYUVGNIZCYMWBQ-DCAQKATOSA-N 1 0 383.378 1.579 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1ccnc1 ZINC001574516380 950637969 /nfs/dbraw/zinc/63/79/69/950637969.db2.gz IARKLSIYHSWKKI-RRQGHBQHSA-N 1 0 380.456 1.451 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[nH]n4)cc3Cl)C2)C1 ZINC001576213878 950649601 /nfs/dbraw/zinc/64/96/01/950649601.db2.gz KAGRGFBIGVVEAH-WCFLWFBJSA-N 1 0 390.879 1.316 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574518259 950650982 /nfs/dbraw/zinc/65/09/82/950650982.db2.gz MXNMELMIBYHIQS-DZKIICNBSA-N 1 0 392.467 1.579 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575923472 950660076 /nfs/dbraw/zinc/66/00/76/950660076.db2.gz BPFXRIDHCXAMNO-QMTHXVAHSA-N 1 0 384.831 1.447 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COc1ccccc1 ZINC001575924514 950677026 /nfs/dbraw/zinc/67/70/26/950677026.db2.gz FMLWUSBVTSWNKE-CJNGLKHVSA-N 1 0 379.424 1.164 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccc1 ZINC001574519709 950695643 /nfs/dbraw/zinc/69/56/43/950695643.db2.gz XUHKFQRHKIFVJX-FEUVXWNVSA-N 1 0 391.479 1.866 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccns1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574761699 950700434 /nfs/dbraw/zinc/70/04/34/950700434.db2.gz VNXDVGNFKQEFLZ-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574762515 950710217 /nfs/dbraw/zinc/71/02/17/950710217.db2.gz YMVLSFYVHOQZKA-GFCCVEGCSA-N 1 0 383.460 1.113 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnn2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574764480 950751362 /nfs/dbraw/zinc/75/13/62/950751362.db2.gz UEMLQMFQQOJGCR-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nc1 ZINC001573882009 950762653 /nfs/dbraw/zinc/76/26/53/950762653.db2.gz NLHPQSJUXZJQJU-CQSZACIVSA-N 1 0 392.467 1.703 20 0 GDADRO CC(C)CCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574182511 950763534 /nfs/dbraw/zinc/76/35/34/950763534.db2.gz XHZBJQHVAIONST-KRWDZBQOSA-N 1 0 378.502 1.417 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001575632177 950792658 /nfs/dbraw/zinc/79/26/58/950792658.db2.gz CWBHHSSAALPNCS-MKZZRHPPSA-N 1 0 381.484 1.886 20 0 GDADRO C[C@@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001575929941 950793787 /nfs/dbraw/zinc/79/37/87/950793787.db2.gz CVKCEBRKXZCTRM-MFKMUULPSA-N 1 0 378.868 1.268 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cscn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574765635 950796491 /nfs/dbraw/zinc/79/64/91/950796491.db2.gz IVEDLQPOFYXQOC-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCn1cccn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574522833 950802907 /nfs/dbraw/zinc/80/29/07/950802907.db2.gz LHUMQAHXYLVNKM-CABCVRRESA-N 1 0 382.472 1.526 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(F)F)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576219469 950803698 /nfs/dbraw/zinc/80/36/98/950803698.db2.gz NXYYVCZPNAUDKX-IINYFYTJSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[nH]n3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575931519 950813330 /nfs/dbraw/zinc/81/33/30/950813330.db2.gz IKWSRUSMWJQINX-BDAKNGLRSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@H](CN(C)C(=O)c1n[nH]cc1F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574766874 950828304 /nfs/dbraw/zinc/82/83/04/950828304.db2.gz NRDMAPCTAVOVDX-SECBINFHSA-N 1 0 376.371 1.118 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnsn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574766836 950830445 /nfs/dbraw/zinc/83/04/45/950830445.db2.gz MXHDCXHKVQHIHK-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cn1cccn1 ZINC001574523856 950834396 /nfs/dbraw/zinc/83/43/96/950834396.db2.gz RLBDQVLVOXIKTH-CHWSQXEVSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCc1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574524167 950850060 /nfs/dbraw/zinc/85/00/60/950850060.db2.gz UHWAKOVSDBYYRN-NEPJUHHUSA-N 1 0 388.501 1.657 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cncn1C ZINC001574524511 950859810 /nfs/dbraw/zinc/85/98/10/950859810.db2.gz XOXOEPPATVUMKW-ZIAGYGMSSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cncn1C ZINC001574524498 950860941 /nfs/dbraw/zinc/86/09/41/950860941.db2.gz XKGJURKMUSVXKU-RYUDHWBXSA-N 1 0 388.501 1.277 20 0 GDADRO CC1(C)C[C@H](NC(=O)c2cnco2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575639376 950864067 /nfs/dbraw/zinc/86/40/67/950864067.db2.gz ACXKELOEAOSMTH-GFCCVEGCSA-N 1 0 382.428 1.675 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574524659 950867371 /nfs/dbraw/zinc/86/73/71/950867371.db2.gz YEKODPDHHQAOLZ-VVKPGGIYSA-N 1 0 388.447 1.271 20 0 GDADRO CC1(C)CC(C[NH+]2CC3(C2)C[C@@H](NC(=O)c2ccc(-c4nn[nH]n4)[nH]2)CO3)C1 ZINC001575640275 950889092 /nfs/dbraw/zinc/88/90/92/950889092.db2.gz ZWOVDWDTHVMWLR-CYBMUJFWSA-N 1 0 385.472 1.204 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccnnc1 ZINC001574527739 950903473 /nfs/dbraw/zinc/90/34/73/950903473.db2.gz GPYXKESDLADMFO-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccnn1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574527764 950905450 /nfs/dbraw/zinc/90/54/50/950905450.db2.gz GWRDSSGFCRZSNT-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnccn1 ZINC001574528611 950935826 /nfs/dbraw/zinc/93/58/26/950935826.db2.gz NQHLLMVXGZRAGC-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)CO1 ZINC001575936974 950936238 /nfs/dbraw/zinc/93/62/38/950936238.db2.gz BOIPGRSVINQACB-GXTWGEPZSA-N 1 0 376.436 1.321 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574771813 950940299 /nfs/dbraw/zinc/94/02/99/950940299.db2.gz KSQWTIQJABVYHR-CWTRNNRKSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](C[N@H+](C)CCCC1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771958 950949543 /nfs/dbraw/zinc/94/95/43/950949543.db2.gz NRBOEEMGPISMSD-ZDUSSCGKSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576229376 950963303 /nfs/dbraw/zinc/96/33/03/950963303.db2.gz LZCYYOKWQFEOLC-BXUZGUMPSA-N 1 0 376.486 1.291 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CO1 ZINC001575938097 950971107 /nfs/dbraw/zinc/97/11/07/950971107.db2.gz JFQINOBQDFYPBT-RHSMWYFYSA-N 1 0 386.500 1.866 20 0 GDADRO C[C@@H](C[N@H+](C)CCc1c(F)cccc1F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574772793 950972829 /nfs/dbraw/zinc/97/28/29/950972829.db2.gz VKRIEOVVFUKGSI-NSHDSACASA-N 1 0 389.410 1.766 20 0 GDADRO C[C@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576229868 950985470 /nfs/dbraw/zinc/98/54/70/950985470.db2.gz OMZKMJJNKCVCKX-XJKSGUPXSA-N 1 0 381.484 1.913 20 0 GDADRO CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573900027 950992211 /nfs/dbraw/zinc/99/22/11/950992211.db2.gz PUELIESQSYGPAH-MGCOHNPYSA-N 1 0 383.378 1.721 20 0 GDADRO C[C@@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CCC[NH+](C)C ZINC001574773708 950993787 /nfs/dbraw/zinc/99/37/87/950993787.db2.gz YPAXBGFXOLLDTB-ZDUSSCGKSA-N 1 0 377.468 1.284 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CO1 ZINC001575938917 950995884 /nfs/dbraw/zinc/99/58/84/950995884.db2.gz NSFMNPFFIAKCIE-ZFWWWQNUSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)CC[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CCO1 ZINC001575938935 950996944 /nfs/dbraw/zinc/99/69/44/950996944.db2.gz NTRMTJUYAQUVDP-UONOGXRCSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H]1CN(C(=O)C2=COCCO2)CC[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576230291 950997720 /nfs/dbraw/zinc/99/77/20/950997720.db2.gz APBNBVCOLNJIRC-CJNGLKHVSA-N 1 0 384.440 1.082 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1(C(F)F)CC1 ZINC001574774472 950999365 /nfs/dbraw/zinc/99/93/65/950999365.db2.gz CTFIKMDXQPWYBD-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CO1 ZINC001575939081 951001277 /nfs/dbraw/zinc/00/12/77/951001277.db2.gz OUIREGFGGYLZJL-QWHCGFSZSA-N 1 0 392.529 1.927 20 0 GDADRO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576230411 951001456 /nfs/dbraw/zinc/00/14/56/951001456.db2.gz RARREAIVVZTLTO-BLLLJJGKSA-N 1 0 387.463 1.606 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CO1 ZINC001575939299 951007350 /nfs/dbraw/zinc/00/73/50/951007350.db2.gz POOXTSRUAIOYJI-ZFWWWQNUSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575018622 951022108 /nfs/dbraw/zinc/02/21/08/951022108.db2.gz MWOFCQDCGFPMFE-VIFPVBQESA-N 1 0 392.345 1.328 20 0 GDADRO C[C@H](CNC(=O)c1ccc2n[nH]nc2c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024717 951112447 /nfs/dbraw/zinc/11/24/47/951112447.db2.gz LDWYZZDSMCVKQU-GFCCVEGCSA-N 1 0 391.439 1.388 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(N(C)C)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575029035 951182687 /nfs/dbraw/zinc/18/26/87/951182687.db2.gz RHVPZFHRMWVDDY-AWEZNQCLSA-N 1 0 379.468 1.841 20 0 GDADRO CC(C)Oc1cc(C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)ccn1 ZINC001575034758 951256353 /nfs/dbraw/zinc/25/63/53/951256353.db2.gz DBRXKVVVZUPUMN-GFCCVEGCSA-N 1 0 382.428 1.096 20 0 GDADRO C[C@H](CNC(=O)c1ccn(CC(F)F)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575035818 951286465 /nfs/dbraw/zinc/28/64/65/951286465.db2.gz MFWPMWACLUJNNK-LLVKDONJSA-N 1 0 390.398 1.236 20 0 GDADRO C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575036670 951299153 /nfs/dbraw/zinc/29/91/53/951299153.db2.gz VOHFTMVGBIZNIC-GFCCVEGCSA-N 1 0 383.460 1.468 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC001575037548 951304967 /nfs/dbraw/zinc/30/49/67/951304967.db2.gz AJRDPIOHHAMRQB-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575043787 951403260 /nfs/dbraw/zinc/40/32/60/951403260.db2.gz VGZWNJCIQHEWSB-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cnc(Cl)n1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575044820 951420644 /nfs/dbraw/zinc/42/06/44/951420644.db2.gz VRQFKFACKXRZTI-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO CC(C)c1ncncc1C(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575045957 951434801 /nfs/dbraw/zinc/43/48/01/951434801.db2.gz JVAXGTBPVUERBH-GFCCVEGCSA-N 1 0 381.444 1.075 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575053209 951476794 /nfs/dbraw/zinc/47/67/94/951476794.db2.gz RKDZCPBHWZDPNO-VIFPVBQESA-N 1 0 391.386 1.188 20 0 GDADRO C[C@H](CNC(=O)c1cnn2c1CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575054293 951492204 /nfs/dbraw/zinc/49/22/04/951492204.db2.gz HZBGFRWDZNPMRL-LLVKDONJSA-N 1 0 386.485 1.321 20 0 GDADRO C[C@@H](CNC(=O)c1conc1C1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056901 951523033 /nfs/dbraw/zinc/52/30/33/951523033.db2.gz LZOAHVVNSNWMIJ-NSHDSACASA-N 1 0 382.428 1.560 20 0 GDADRO C[C@H](CNC(=O)c1coc(Br)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056971 951525511 /nfs/dbraw/zinc/52/55/11/951525511.db2.gz NKFGIUOGGGVLQJ-MRVPVSSYSA-N 1 0 392.217 1.270 20 0 GDADRO C[C@H](CNC(=O)c1scnc1C1CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575068822 951637622 /nfs/dbraw/zinc/63/76/22/951637622.db2.gz CSFZZYYZNWIWIC-SNVBAGLBSA-N 1 0 384.469 1.850 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077023 951659116 /nfs/dbraw/zinc/65/91/16/951659116.db2.gz AUZHDAMOGKVGBM-OFSOMGBPSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077187 951663958 /nfs/dbraw/zinc/66/39/58/951663958.db2.gz AAHHELUUKVPDHF-ZIAGYGMSSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575077531 951670802 /nfs/dbraw/zinc/67/08/02/951670802.db2.gz GDIIUTPZDVUHKJ-APPDUMDISA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077516 951670989 /nfs/dbraw/zinc/67/09/89/951670989.db2.gz FZAOIQSIKCEZAL-PREXVCJDSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077655 951673221 /nfs/dbraw/zinc/67/32/21/951673221.db2.gz HUGABEBAINRZAK-IUODEOHRSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)n1cccc1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077741 951674236 /nfs/dbraw/zinc/67/42/36/951674236.db2.gz HFLBFEMOCSLHKZ-UONOGXRCSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575077854 951676415 /nfs/dbraw/zinc/67/64/15/951676415.db2.gz IZRXBRVXPSFBEI-BBRMVZONSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)c1cn[nH]c1)C1CC1 ZINC001575078052 951678285 /nfs/dbraw/zinc/67/82/85/951678285.db2.gz JPXQXZJVOJLHLX-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)c1ccn[nH]1)C1CC1 ZINC001575078252 951679437 /nfs/dbraw/zinc/67/94/37/951679437.db2.gz KMQWPXJVKSRZTB-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001575078967 951686037 /nfs/dbraw/zinc/68/60/37/951686037.db2.gz BUFKACVBFGGDAZ-SECBINFHSA-N 1 0 391.432 1.418 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccccc1O ZINC001575078916 951686376 /nfs/dbraw/zinc/68/63/76/951686376.db2.gz NVEWNRSKEFJPOK-GFCCVEGCSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@@H](CNC(=O)CC1CCOCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079680 951693691 /nfs/dbraw/zinc/69/36/91/951693691.db2.gz NKUHZQKOXZPAIZ-CYBMUJFWSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079757 951696045 /nfs/dbraw/zinc/69/60/45/951696045.db2.gz GGUXPQHUNYOTDK-GXTWGEPZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]cc1F)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080122 951704154 /nfs/dbraw/zinc/70/41/54/951704154.db2.gz VKSJYGPWGBVOHK-SECBINFHSA-N 1 0 376.371 1.024 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001575081845 951726895 /nfs/dbraw/zinc/72/68/95/951726895.db2.gz WIMMSWPJLAEDBY-BDJLRTHQSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@@H](CNC(=O)Cc1cscn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081890 951728061 /nfs/dbraw/zinc/72/80/61/951728061.db2.gz SVPWQEQBSLCGKT-LLVKDONJSA-N 1 0 389.460 1.547 20 0 GDADRO C[C@@H](CNC(=O)c1ccccc1O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089103 951746471 /nfs/dbraw/zinc/74/64/71/951746471.db2.gz DKZQKXMOFXHMAW-GFCCVEGCSA-N 1 0 384.415 1.867 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089287 951747640 /nfs/dbraw/zinc/74/76/40/951747640.db2.gz FHUKOMKMOHHSHK-CYBMUJFWSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001575089410 951748442 /nfs/dbraw/zinc/74/84/42/951748442.db2.gz FLNALHJRJTYTNW-ACJLOTCBSA-N 1 0 390.513 1.872 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1ccncn1)C1CC1 ZINC001575089362 951748985 /nfs/dbraw/zinc/74/89/85/951748985.db2.gz GSBIHRXRZLQDGZ-IBGZPJMESA-N 1 0 378.440 1.345 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H](C)n1cccn1 ZINC001575089528 951750652 /nfs/dbraw/zinc/75/06/52/951750652.db2.gz GKLUDAFVRSNOAO-CHWSQXEVSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCC1(F)F ZINC001575090089 951756337 /nfs/dbraw/zinc/75/63/37/951756337.db2.gz JIXQKHNFRKKBDN-GWCFXTLKSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CNC(=O)CCc1cn[nH]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090512 951760175 /nfs/dbraw/zinc/76/01/75/951760175.db2.gz LGSHNTPFUOTDOW-GFCCVEGCSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001575091275 951774187 /nfs/dbraw/zinc/77/41/87/951774187.db2.gz PPCGJHMPPSBYII-SECBINFHSA-N 1 0 391.432 1.418 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1cccnn1)C1CC1 ZINC001575091372 951774437 /nfs/dbraw/zinc/77/44/37/951774437.db2.gz QFOSULTWAPWDCM-LJQANCHMSA-N 1 0 378.440 1.345 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575091606 951780409 /nfs/dbraw/zinc/78/04/09/951780409.db2.gz VXMXTHNIQUYFON-LPHOPBHVSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575091962 951787840 /nfs/dbraw/zinc/78/78/40/951787840.db2.gz WSIFJKFRUYZUOZ-OAQYLSRUSA-N 1 0 391.479 1.879 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092125 951788701 /nfs/dbraw/zinc/78/87/01/951788701.db2.gz ABXBJGJGMGXRKX-CQSZACIVSA-N 1 0 392.463 1.957 20 0 GDADRO C[C@@H](CNC(=O)c1cn2c(n1)CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093294 951798890 /nfs/dbraw/zinc/79/88/90/951798890.db2.gz HREUVSCPRSYASR-CYBMUJFWSA-N 1 0 380.456 1.165 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1c[nH]nc1C1CC1 ZINC001575094190 951802282 /nfs/dbraw/zinc/80/22/82/951802282.db2.gz LPDPEEGYBVSKLA-GFCCVEGCSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575094322 951804262 /nfs/dbraw/zinc/80/42/62/951804262.db2.gz MTQSNUAHXJCZAM-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001575101290 951855337 /nfs/dbraw/zinc/85/53/37/951855337.db2.gz BLIACDDVVJSBHW-SNVBAGLBSA-N 1 0 386.485 1.390 20 0 GDADRO C[C@H](CNC(=O)c1ccc(=O)[nH]c1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101394 951857844 /nfs/dbraw/zinc/85/78/44/951857844.db2.gz CWXMFZLBDYHTPV-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@H](CNC(=O)[C@]1(C)CCCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101387 951858078 /nfs/dbraw/zinc/85/80/78/951858078.db2.gz CTKGMMSSZSIZGM-ORAYPTAESA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1ncccc1F ZINC001575101734 951863409 /nfs/dbraw/zinc/86/34/09/951863409.db2.gz IZOVJOJVAYJSJT-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101907 951864175 /nfs/dbraw/zinc/86/41/75/951864175.db2.gz JRZAOZOZMAAJBZ-ZDUSSCGKSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cnn2c1CCC2 ZINC001575102364 951868929 /nfs/dbraw/zinc/86/89/29/951868929.db2.gz LUOYKORKOHKUKV-NSHDSACASA-N 1 0 386.485 1.321 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001575103448 951875412 /nfs/dbraw/zinc/87/54/12/951875412.db2.gz UJIFZJJAHSBWGX-RAIGVLPGSA-N 1 0 386.485 1.392 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103826 951877583 /nfs/dbraw/zinc/87/75/83/951877583.db2.gz WJSFBZSXQGVXDV-DZGCQCFKSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cc1cccnc1 ZINC001575104860 951888540 /nfs/dbraw/zinc/88/85/40/951888540.db2.gz FKWLQHJQGSQWBK-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1ccc(F)c(F)c1 ZINC001575107132 951912949 /nfs/dbraw/zinc/91/29/49/951912949.db2.gz ZRYMKLJGEMUKOQ-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO CC(C)n1cnc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001575107918 951921179 /nfs/dbraw/zinc/92/11/79/951921179.db2.gz IZJQHAXOQAKPHK-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575109547 951931907 /nfs/dbraw/zinc/93/19/07/951931907.db2.gz SFJUPBHKQUADKX-KSSFIOAISA-N 1 0 392.463 1.979 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2[nH]ccc2n1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113797 951945539 /nfs/dbraw/zinc/94/55/39/951945539.db2.gz GGOMCBRHQQRAEP-CYBMUJFWSA-N 1 0 390.451 1.899 20 0 GDADRO C[C@H](CNC(=O)CCc1ccnn1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114783 951960233 /nfs/dbraw/zinc/96/02/33/951960233.db2.gz SYMPPORBMJLGLV-AWEZNQCLSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001575116744 951974514 /nfs/dbraw/zinc/97/45/14/951974514.db2.gz HGWGVEHKRNRGOB-LBPRGKRZSA-N 1 0 385.476 1.302 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001575117741 951982153 /nfs/dbraw/zinc/98/21/53/951982153.db2.gz PGRLBXLCTSYBKT-LBPRGKRZSA-N 1 0 385.476 1.302 20 0 GDADRO C[C@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575118308 951983655 /nfs/dbraw/zinc/98/36/55/951983655.db2.gz RYCKGNVRGXWWBX-GFCCVEGCSA-N 1 0 385.476 1.397 20 0 GDADRO C[C@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001575137339 952137672 /nfs/dbraw/zinc/13/76/72/952137672.db2.gz WUXINPQILQNAPO-GFCCVEGCSA-N 1 0 375.452 1.749 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCOc1ccccc1 ZINC001575145873 952190011 /nfs/dbraw/zinc/19/00/11/952190011.db2.gz FEPIWGHYCREMAE-CQSZACIVSA-N 1 0 381.440 1.412 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001575163376 952278916 /nfs/dbraw/zinc/27/89/16/952278916.db2.gz BEYNUHHYGYOFFK-TZMCWYRMSA-N 1 0 390.467 1.534 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575165011 952302682 /nfs/dbraw/zinc/30/26/82/952302682.db2.gz QCXQHLLTYGNYIS-NSHDSACASA-N 1 0 376.440 1.001 20 0 GDADRO C[C@H](CNc1nc(Cl)c(-c2nn[nH]n2)s1)N(C)C(=O)CCC[NH+](C)C ZINC001575166005 952318625 /nfs/dbraw/zinc/31/86/25/952318625.db2.gz RVOLVIRZTRXZAA-SECBINFHSA-N 1 0 386.913 1.577 20 0 GDADRO C[C@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001575178327 952406526 /nfs/dbraw/zinc/40/65/26/952406526.db2.gz OORRVIFDPPISOG-CQSZACIVSA-N 1 0 392.529 1.606 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575197139 952479352 /nfs/dbraw/zinc/47/93/52/952479352.db2.gz OAHZMNXUOAWUFI-KBPBESRZSA-N 1 0 381.440 1.676 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1ccns1 ZINC001571119838 952495358 /nfs/dbraw/zinc/49/53/58/952495358.db2.gz FHRIFQMMHNJUSG-MGCOHNPYSA-N 1 0 375.483 1.683 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1cccnc1 ZINC001571120094 952499487 /nfs/dbraw/zinc/49/94/87/952499487.db2.gz JGUOQKBXKVJMMQ-ZYIUAKIQSA-N 1 0 376.424 1.011 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120707 952506538 /nfs/dbraw/zinc/50/65/38/952506538.db2.gz OLOCEAILPDHEHB-CQSZACIVSA-N 1 0 375.502 1.103 20 0 GDADRO O=C(NCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@@H]1CC1(F)F ZINC001571120768 952509045 /nfs/dbraw/zinc/50/90/45/952509045.db2.gz QXWUNPJDMCEQGQ-HNNXBMFYSA-N 1 0 376.411 1.850 20 0 GDADRO CS[C@H](C)C(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571121226 952517698 /nfs/dbraw/zinc/51/76/98/952517698.db2.gz YOCYLAHMKUAWMM-RAIGVLPGSA-N 1 0 375.502 1.250 20 0 GDADRO O=C(c1ccsn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121233 952518291 /nfs/dbraw/zinc/51/82/91/952518291.db2.gz YSZULPXYOCYEKA-SNVBAGLBSA-N 1 0 375.483 1.779 20 0 GDADRO CC(F)(F)C(=O)N1CCC2(C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001575207902 952535799 /nfs/dbraw/zinc/53/57/99/952535799.db2.gz VKNLBTYEQDPLFV-UHFFFAOYSA-N 1 0 376.411 1.946 20 0 GDADRO CC(F)(F)C(=O)NC1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC001575212563 952553781 /nfs/dbraw/zinc/55/37/81/952553781.db2.gz JRNSHKMDEGUKGL-UHFFFAOYSA-N 1 0 380.399 1.277 20 0 GDADRO Cc1cccnc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C ZINC001571127406 952555826 /nfs/dbraw/zinc/55/58/26/952555826.db2.gz GLDUUEIDSDJRRX-WMLDXEAASA-N 1 0 377.452 1.963 20 0 GDADRO O=C(CCn1cccc1)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1-c1nn[nH]n1 ZINC001571128041 952562167 /nfs/dbraw/zinc/56/21/67/952562167.db2.gz NXLXYCPDMNNQJB-IRXDYDNUSA-N 1 0 377.452 1.544 20 0 GDADRO CC(F)(F)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575214377 952563976 /nfs/dbraw/zinc/56/39/76/952563976.db2.gz YDXBRCSMLRYNIU-CABCVRRESA-N 1 0 376.411 1.945 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575215077 952567845 /nfs/dbraw/zinc/56/78/45/952567845.db2.gz SLOHCLJOYQPCDI-UHFFFAOYSA-N 1 0 379.415 1.672 20 0 GDADRO Cc1cncc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571128613 952568825 /nfs/dbraw/zinc/56/88/25/952568825.db2.gz VFGRZIGMOXKFMX-OAHLLOKOSA-N 1 0 377.452 1.822 20 0 GDADRO CCc1cccnc1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571129013 952573012 /nfs/dbraw/zinc/57/30/12/952573012.db2.gz ZFQMIVBJWCCNSJ-INIZCTEOSA-N 1 0 377.452 1.828 20 0 GDADRO Cc1cc(N[C@@H]2C[C@H](NC(=O)c3ccc[nH]3)C23CCC3)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134462 952591158 /nfs/dbraw/zinc/59/11/58/952591158.db2.gz IKMYOZVZUFGMPF-CVEARBPZSA-N 1 0 378.440 1.473 20 0 GDADRO C[C@H](NC(=O)c1cccnc1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571134608 952592686 /nfs/dbraw/zinc/59/26/86/952592686.db2.gz HYDNWVBPBYFNMO-ZDUSSCGKSA-N 1 0 378.440 1.692 20 0 GDADRO Cc1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@H]2C)cn1 ZINC001571135160 952600989 /nfs/dbraw/zinc/60/09/89/952600989.db2.gz SITIAZBEILIJEP-CZUORRHYSA-N 1 0 378.440 1.358 20 0 GDADRO C[C@]12CN(C(=O)c3ncc[nH]3)C[C@H]1C[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571135305 952602709 /nfs/dbraw/zinc/60/27/09/952602709.db2.gz TVVVRUJBMAQWTN-KUHUBIRLSA-N 1 0 378.440 1.184 20 0 GDADRO C[C@]1(NC(=O)c2ccccc2O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571136019 952612223 /nfs/dbraw/zinc/61/22/23/952612223.db2.gz KUOHHVRWUUCZTE-FQEVSTJZSA-N 1 0 378.436 1.967 20 0 GDADRO Cc1cocc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001571136639 952616341 /nfs/dbraw/zinc/61/63/41/952616341.db2.gz UEABSAMPDJQBQR-CALCHBBNSA-N 1 0 378.436 1.972 20 0 GDADRO O=C(N[C@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571140788 952628451 /nfs/dbraw/zinc/62/84/51/952628451.db2.gz TZJPMINAHLOMRR-HAQNSBGRSA-N 1 0 379.415 1.871 20 0 GDADRO Cc1ccoc1CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571141315 952632650 /nfs/dbraw/zinc/63/26/50/952632650.db2.gz KJEATXNHWMYQJM-KBPBESRZSA-N 1 0 379.424 1.504 20 0 GDADRO C[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571141560 952633774 /nfs/dbraw/zinc/63/37/74/952633774.db2.gz IJGNGWXIWLUMIH-NWDGAFQWSA-N 1 0 378.502 1.273 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnccn1 ZINC001571141951 952637996 /nfs/dbraw/zinc/63/79/96/952637996.db2.gz LPAKKOWGYLVRKH-GOEBONIOSA-N 1 0 378.440 1.345 20 0 GDADRO CS[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571142003 952638171 /nfs/dbraw/zinc/63/81/71/952638171.db2.gz NBIOIISXPPXDSO-BXUZGUMPSA-N 1 0 378.477 1.838 20 0 GDADRO COc1cccnc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571142439 952641994 /nfs/dbraw/zinc/64/19/94/952641994.db2.gz VUERYOSRYIKPJR-CQSZACIVSA-N 1 0 379.424 1.275 20 0 GDADRO C[C@H]([NH2+]CCC(=O)NC(N)=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC001571142538 952643088 /nfs/dbraw/zinc/64/30/88/952643088.db2.gz WWMIVIZNEVQOOB-LBPRGKRZSA-N 1 0 379.424 1.769 20 0 GDADRO Cc1nnccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571142530 952643245 /nfs/dbraw/zinc/64/32/45/952643245.db2.gz UDBWVGVZIWNPON-MRXNPFEDSA-N 1 0 378.440 1.360 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571142803 952646381 /nfs/dbraw/zinc/64/63/81/952646381.db2.gz ZDMDTNUQTFNLAI-OIISXLGYSA-N 1 0 378.440 1.136 20 0 GDADRO Cc1ccn(C)c1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571150446 952668365 /nfs/dbraw/zinc/66/83/65/952668365.db2.gz ARMNNSIATQSKKU-HXUWFJFHSA-N 1 0 379.468 1.908 20 0 GDADRO Cc1ccn(C)c1C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571151137 952672358 /nfs/dbraw/zinc/67/23/58/952672358.db2.gz MAEYIUPKNUAPQN-OAHLLOKOSA-N 1 0 379.468 1.766 20 0 GDADRO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001571151184 952673848 /nfs/dbraw/zinc/67/38/48/952673848.db2.gz NABZKJMWWCJEGM-YJBOKZPZSA-N 1 0 379.468 1.962 20 0 GDADRO Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C4CC4)CC2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001571151557 952675418 /nfs/dbraw/zinc/67/54/18/952675418.db2.gz QOAVRYRXKFTIHK-BMFZPTHFSA-N 1 0 379.468 1.986 20 0 GDADRO CN(C(=O)[C@@H]1CC1(F)F)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571153365 952686490 /nfs/dbraw/zinc/68/64/90/952686490.db2.gz PTCVJAAXTJNICO-BPCQOVAHSA-N 1 0 380.374 1.740 20 0 GDADRO CC1(NC(=O)c2cc[nH]c(=O)c2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571154775 952689402 /nfs/dbraw/zinc/68/94/02/952689402.db2.gz BCFQXZWCCHAWMV-UHFFFAOYSA-N 1 0 380.412 1.151 20 0 GDADRO C[C@H]([NH2+]Cc1cccnc1)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571165931 952755847 /nfs/dbraw/zinc/75/58/47/952755847.db2.gz JDKUDUOTRRUNKI-DZGCQCFKSA-N 1 0 380.456 1.620 20 0 GDADRO Cc1ccc(CC(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC001571167098 952770015 /nfs/dbraw/zinc/77/00/15/952770015.db2.gz VQWYGSPRNUQEKT-UHFFFAOYSA-N 1 0 380.452 1.995 20 0 GDADRO CCN(C(=O)c1n[nH]cc1C)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571167230 952771535 /nfs/dbraw/zinc/77/15/35/952771535.db2.gz ZHIKCIFMLGQYCM-INIZCTEOSA-N 1 0 380.456 1.635 20 0 GDADRO CCn1nccc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169460 952773550 /nfs/dbraw/zinc/77/35/50/952773550.db2.gz CZURQJAIXXCFAV-ZDUSSCGKSA-N 1 0 380.456 1.333 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC001571169432 952773620 /nfs/dbraw/zinc/77/36/20/952773620.db2.gz CGDAUECLOMZFOV-HNNXBMFYSA-N 1 0 380.456 1.574 20 0 GDADRO Cc1nc(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c[nH]1 ZINC001571169441 952773865 /nfs/dbraw/zinc/77/38/65/952773865.db2.gz COCQZMKAQLUMST-LRDDRELGSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C)c(C)n1 ZINC001571169791 952777890 /nfs/dbraw/zinc/77/78/90/952777890.db2.gz NKKSVZXTWRRCSF-CZUORRHYSA-N 1 0 380.456 1.599 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H](CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c(C)[nH]1 ZINC001571169785 952777993 /nfs/dbraw/zinc/77/79/93/952777993.db2.gz NGSJLGUNZAWZQA-CQSZACIVSA-N 1 0 380.456 1.511 20 0 GDADRO Cc1cc(NC[C@@H]2C[C@H](C)CCN2C(=O)c2cc[nH]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169859 952779509 /nfs/dbraw/zinc/77/95/09/952779509.db2.gz PHDVFIJXOIEPGW-DOMZBBRYSA-N 1 0 380.456 1.673 20 0 GDADRO Cc1ncc(C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1C ZINC001571170051 952782609 /nfs/dbraw/zinc/78/26/09/952782609.db2.gz RLKQMNFJHVQIQE-UHFFFAOYSA-N 1 0 380.456 1.207 20 0 GDADRO CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571170160 952783557 /nfs/dbraw/zinc/78/35/57/952783557.db2.gz UHTRWROZOANSAP-INIZCTEOSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)n1C ZINC001571170139 952784031 /nfs/dbraw/zinc/78/40/31/952784031.db2.gz TXVAMHXRTSGFRX-WBMJQRKESA-N 1 0 380.456 1.301 20 0 GDADRO Cc1nc(C(=O)N2C[C@H](C)[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c[nH]1 ZINC001571170154 952784168 /nfs/dbraw/zinc/78/41/68/952784168.db2.gz UHRLHUKEZXGKPY-BLLLJJGKSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c(C)n1C ZINC001571170891 952789551 /nfs/dbraw/zinc/78/95/51/952789551.db2.gz YRTIBJBCRMLFTF-CQSZACIVSA-N 1 0 380.456 1.534 20 0 GDADRO O=C(Cc1cc[nH]n1)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571171855 952798178 /nfs/dbraw/zinc/79/81/78/952798178.db2.gz HAKADBBXIKLOMY-WKILWMFISA-N 1 0 380.456 1.350 20 0 GDADRO Cn1cnc(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571172599 952808878 /nfs/dbraw/zinc/80/88/78/952808878.db2.gz XZHGTTAPCPSZBV-LSDHHAIUSA-N 1 0 380.456 1.431 20 0 GDADRO Cc1cc(N2CCN(C(=O)c3cc(F)ccc3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571178183 952836380 /nfs/dbraw/zinc/83/63/80/952836380.db2.gz ARIJMIMFQOCMRF-UHFFFAOYSA-N 1 0 381.415 1.980 20 0 GDADRO O=C(Cc1cnoc1)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571179914 952856305 /nfs/dbraw/zinc/85/63/05/952856305.db2.gz KDPRPBNNLQIAEQ-SJORKVTESA-N 1 0 381.440 1.472 20 0 GDADRO Cc1cc[nH]c1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571180470 952860631 /nfs/dbraw/zinc/86/06/31/952860631.db2.gz OWSPYIAAFNCNPZ-INIZCTEOSA-N 1 0 381.440 1.134 20 0 GDADRO Cc1nocc1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571180588 952861859 /nfs/dbraw/zinc/86/18/59/952861859.db2.gz QUNAMGJEZNZFQP-MRXNPFEDSA-N 1 0 381.440 1.948 20 0 GDADRO Cc1conc1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571181011 952863576 /nfs/dbraw/zinc/86/35/76/952863576.db2.gz SYKBRTCGDOANCS-LRDDRELGSA-N 1 0 381.440 1.804 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CCc2ccoc2)C1 ZINC001571182650 952866933 /nfs/dbraw/zinc/86/69/33/952866933.db2.gz AISHNHJJXOQVOM-ZFWWWQNUSA-N 1 0 381.440 1.558 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2coc(C)n2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571182646 952866961 /nfs/dbraw/zinc/86/69/61/952866961.db2.gz AIHLUZXLIBIAJH-DOTOQJQBSA-N 1 0 381.440 1.946 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001571182701 952867756 /nfs/dbraw/zinc/86/77/56/952867756.db2.gz BYZXMYREVCUUTN-ZFWWWQNUSA-N 1 0 381.415 1.826 20 0 GDADRO CCc1oncc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC001571182955 952870744 /nfs/dbraw/zinc/87/07/44/952870744.db2.gz KOOYQGUCSCEMLY-MLGOLLRUSA-N 1 0 381.440 1.667 20 0 GDADRO C[C@@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)CCc2ccoc2)C1 ZINC001571183013 952872314 /nfs/dbraw/zinc/87/23/14/952872314.db2.gz LYZKTBAJLYIZAO-IBGZPJMESA-N 1 0 381.440 1.560 20 0 GDADRO CCCc1nc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571183050 952873250 /nfs/dbraw/zinc/87/32/50/952873250.db2.gz MZHXAQBHZWKQJQ-OAHLLOKOSA-N 1 0 381.440 1.812 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1 ZINC001571183079 952873354 /nfs/dbraw/zinc/87/33/54/952873354.db2.gz NTYCITWKEHQOHC-CQSZACIVSA-N 1 0 381.440 1.598 20 0 GDADRO O=C(Cc1cccc(F)c1)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571183072 952873363 /nfs/dbraw/zinc/87/33/63/952873363.db2.gz NOARNZGDGIQMSV-UHFFFAOYSA-N 1 0 381.415 1.729 20 0 GDADRO CCCn1nccc1C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001571183809 952882946 /nfs/dbraw/zinc/88/29/46/952882946.db2.gz JWHXCQNLQZLZSO-QWHCGFSZSA-N 1 0 381.444 1.005 20 0 GDADRO CCN(C(=O)c1c[nH]c(C)n1)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571183859 952884325 /nfs/dbraw/zinc/88/43/25/952884325.db2.gz LCJDCFQBCCRDHR-ZDUSSCGKSA-N 1 0 381.444 1.343 20 0 GDADRO CC(C)n1nccc1C(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571184419 952893309 /nfs/dbraw/zinc/89/33/09/952893309.db2.gz YUWCTGFTKVICAJ-SWLSCSKDSA-N 1 0 381.444 1.034 20 0 GDADRO Cc1[nH]nc(C(=O)NC[C@@H]2CCCN2c2cc(C)[nH+]cc2-c2nn[nH]n2)c1C ZINC001571187793 952910112 /nfs/dbraw/zinc/91/01/12/952910112.db2.gz CATCWZYBPUOBKP-ZDUSSCGKSA-N 1 0 381.444 1.309 20 0 GDADRO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 ZINC001571188590 952917008 /nfs/dbraw/zinc/91/70/08/952917008.db2.gz LMWIVAFVEUQYJK-CHWSQXEVSA-N 1 0 381.444 1.106 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nn1C(C)C ZINC001571189543 952930946 /nfs/dbraw/zinc/93/09/46/952930946.db2.gz XAQHPBGLNUTMDV-CYBMUJFWSA-N 1 0 381.444 1.096 20 0 GDADRO Cc1cc(N2C[C@@H](CNC(=O)[C@H]3CC34CCC4)[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571191052 952944203 /nfs/dbraw/zinc/94/42/03/952944203.db2.gz NKMJYWZBOHOMLV-XNRPHZJLSA-N 1 0 381.484 1.949 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1F)C[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001571194759 952968064 /nfs/dbraw/zinc/96/80/64/952968064.db2.gz SBPGYTQKZUQGPD-LLVKDONJSA-N 1 0 382.390 1.941 20 0 GDADRO Cc1nc[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571196688 952983633 /nfs/dbraw/zinc/98/36/33/952983633.db2.gz MICSCCQIKPIKIT-STQMWFEESA-N 1 0 382.403 1.136 20 0 GDADRO Cc1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)cn1 ZINC001571196840 952985294 /nfs/dbraw/zinc/98/52/94/952985294.db2.gz OYMODKFXWNEPHH-CQSZACIVSA-N 1 0 382.403 1.109 20 0 GDADRO CCN(C(=O)c1ocnc1C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571198531 952991496 /nfs/dbraw/zinc/99/14/96/952991496.db2.gz BDXSGNRCJXOFHR-CYBMUJFWSA-N 1 0 382.428 1.608 20 0 GDADRO CCc1cc(C(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001571199110 952996793 /nfs/dbraw/zinc/99/67/93/952996793.db2.gz LWIAFWOLMQQFJF-GFCCVEGCSA-N 1 0 382.428 1.259 20 0 GDADRO Cc1conc1C(=O)N[C@H]1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571201082 953014146 /nfs/dbraw/zinc/01/41/46/953014146.db2.gz JJYGBZQCKGCSKD-JSGCOSHPSA-N 1 0 382.428 1.299 20 0 GDADRO Cc1conc1C(=O)N1CCCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571201311 953015933 /nfs/dbraw/zinc/01/59/33/953015933.db2.gz JXIXRSSCGHWPEW-ZDUSSCGKSA-N 1 0 382.428 1.395 20 0 GDADRO Cc1nc(C(=O)N[C@@H]2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571202297 953023794 /nfs/dbraw/zinc/02/37/94/953023794.db2.gz SVOXNLYGXSUUJO-QWHCGFSZSA-N 1 0 382.428 1.442 20 0 GDADRO Cc1oncc1C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001571205106 953035837 /nfs/dbraw/zinc/03/58/37/953035837.db2.gz GOPKEXGKOJTRLX-GOSISDBHSA-N 1 0 382.428 1.229 20 0 GDADRO CC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN(C(=O)C2=CCOCC2)CC1 ZINC001571209669 953065827 /nfs/dbraw/zinc/06/58/27/953065827.db2.gz AQVUENBBPIFYPZ-UHFFFAOYSA-N 1 0 382.468 1.684 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CC12CCOCC2 ZINC001571214319 953101885 /nfs/dbraw/zinc/10/18/85/953101885.db2.gz XCOAKQREPWDXQM-IXDOHACOSA-N 1 0 382.468 1.420 20 0 GDADRO COc1ccc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1F ZINC001571216636 953102544 /nfs/dbraw/zinc/10/25/44/953102544.db2.gz AINPGFXIPMQPMD-LBPRGKRZSA-N 1 0 383.387 1.158 20 0 GDADRO O=C(CC(F)(F)F)N1CCC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571217830 953110872 /nfs/dbraw/zinc/11/08/72/953110872.db2.gz PRBMCQZUWAPIEW-NSHDSACASA-N 1 0 383.378 1.677 20 0 GDADRO O=C(N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1cncc(Cl)c1 ZINC001571219318 953125304 /nfs/dbraw/zinc/12/53/04/953125304.db2.gz XHNUBUFZYNVVNV-NHAGDIPZSA-N 1 0 382.815 1.175 20 0 GDADRO Cc1c(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)ccn1C ZINC001571229346 953169039 /nfs/dbraw/zinc/16/90/39/953169039.db2.gz COMGUGBJKQRRKA-AWEZNQCLSA-N 1 0 383.431 1.657 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571230057 953173740 /nfs/dbraw/zinc/17/37/40/953173740.db2.gz RPZUZFBYRPYVTC-IUODEOHRSA-N 1 0 383.431 1.832 20 0 GDADRO COC1(c2nccn2C)CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571231041 953182738 /nfs/dbraw/zinc/18/27/38/953182738.db2.gz QXOLYEHIQNFSAP-UHFFFAOYSA-N 1 0 383.456 1.617 20 0 GDADRO Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@]2(C)CCCOC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233370 953192560 /nfs/dbraw/zinc/19/25/60/953192560.db2.gz SZNROGDXZNNRJC-NJSLBKSFSA-N 1 0 383.456 1.176 20 0 GDADRO Cc1cc(N2CCC3(C[C@H]3NC(=O)[C@@H]3CCCO3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233485 953192982 /nfs/dbraw/zinc/19/29/82/953192982.db2.gz WGIHJLGPSKWYSC-JKSUJKDBSA-N 1 0 383.456 1.224 20 0 GDADRO Cc1nc(C)c(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)s1 ZINC001571234320 953200300 /nfs/dbraw/zinc/20/03/00/953200300.db2.gz UIJVYIYIRDWROD-UHFFFAOYSA-N 1 0 383.481 1.802 20 0 GDADRO C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC001571238950 953233777 /nfs/dbraw/zinc/23/37/77/953233777.db2.gz CXGTZVLBBMNTLL-CQSZACIVSA-N 1 0 384.419 1.466 20 0 GDADRO Cc1c(C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)cnn1C ZINC001571238976 953234959 /nfs/dbraw/zinc/23/49/59/953234959.db2.gz DMQLIGVIBUKIFI-CQSZACIVSA-N 1 0 384.419 1.052 20 0 GDADRO Cc1[nH]nc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)c1C ZINC001571239166 953236137 /nfs/dbraw/zinc/23/61/37/953236137.db2.gz GZRIOZPIQVJEPX-CQSZACIVSA-N 1 0 384.419 1.350 20 0 GDADRO Cn1cnc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC001571241701 953248577 /nfs/dbraw/zinc/24/85/77/953248577.db2.gz JBVDFEJPHVGPOO-CQSZACIVSA-N 1 0 384.419 1.134 20 0 GDADRO O=C(CCc1cn[nH]c1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571241798 953249781 /nfs/dbraw/zinc/24/97/81/953249781.db2.gz LXUAHBCQXWPVFH-CQSZACIVSA-N 1 0 384.419 1.052 20 0 GDADRO CCc1nc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)o1 ZINC001571242731 953259692 /nfs/dbraw/zinc/25/96/92/953259692.db2.gz MSTWIULCZDSGIK-ZDUSSCGKSA-N 1 0 384.444 1.448 20 0 GDADRO CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001571242971 953262165 /nfs/dbraw/zinc/26/21/65/953262165.db2.gz SFQNJNLURRAUGZ-DGCLKSJQSA-N 1 0 384.444 1.528 20 0 GDADRO Cc1ncc(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571245615 953275419 /nfs/dbraw/zinc/27/54/19/953275419.db2.gz WYTYUCASMAICHS-LBPRGKRZSA-N 1 0 384.469 1.734 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)c2cnns2)C1 ZINC001571245960 953278668 /nfs/dbraw/zinc/27/86/68/953278668.db2.gz PLROCEBMSHYONN-FZMZJTMJSA-N 1 0 384.469 1.359 20 0 GDADRO CC(C)(O)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571247638 953284289 /nfs/dbraw/zinc/28/42/89/953284289.db2.gz BHQQRWQWKXFHPZ-IAGOWNOFSA-N 1 0 384.484 1.451 20 0 GDADRO CCC(=O)N1CCOC2(CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001571247863 953287418 /nfs/dbraw/zinc/28/74/18/953287418.db2.gz GPYSLKOMRMAIIR-UHFFFAOYSA-N 1 0 384.484 1.907 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571247866 953287495 /nfs/dbraw/zinc/28/74/95/953287495.db2.gz GTUZYAMSVDGCSG-NXHRZFHOSA-N 1 0 384.484 1.715 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571248435 953293870 /nfs/dbraw/zinc/29/38/70/953293870.db2.gz TVYYITJQMICXNM-LFVTVUPYSA-N 1 0 384.484 1.666 20 0 GDADRO O=C(C[C@H]1CCCO1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571249093 953300928 /nfs/dbraw/zinc/30/09/28/953300928.db2.gz DAKPRBLPMHJIGK-DLBZAZTESA-N 1 0 384.484 1.907 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571249658 953305166 /nfs/dbraw/zinc/30/51/66/953305166.db2.gz KEGLFCRAZXBJBU-WMLDXEAASA-N 1 0 384.488 1.077 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCCCO1 ZINC001571249948 953308632 /nfs/dbraw/zinc/30/86/32/953308632.db2.gz MUIFVCKSNYSQSV-MAUKXSAKSA-N 1 0 384.484 1.764 20 0 GDADRO Cc1cnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)o1 ZINC001571250288 953309942 /nfs/dbraw/zinc/30/99/42/953309942.db2.gz QCGSEVDSTXTJBK-MRVWCRGKSA-N 1 0 384.444 1.883 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571250336 953310487 /nfs/dbraw/zinc/31/04/87/953310487.db2.gz QUKXZSLMSNHFHC-BDJLRTHQSA-N 1 0 384.444 1.522 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC001571252044 953322744 /nfs/dbraw/zinc/32/27/44/953322744.db2.gz GEPRJPSIQYMUND-GOEBONIOSA-N 1 0 384.488 1.456 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252052 953323262 /nfs/dbraw/zinc/32/32/62/953323262.db2.gz GGQNIDFPLNFSGM-HOCLYGCPSA-N 1 0 384.488 1.397 20 0 GDADRO Cc1nc(N[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)ccc1-c1nn[nH]n1 ZINC001571252119 953324424 /nfs/dbraw/zinc/32/44/24/953324424.db2.gz HWZKRJPJVDTSMK-UKRRQHHQSA-N 1 0 384.488 1.315 20 0 GDADRO C[NH+](C)C1(C(=O)N2C[C@@H](Nc3ncccc3-c3nn[nH]n3)C(C)(C)C2)CCC1 ZINC001571252572 953329574 /nfs/dbraw/zinc/32/95/74/953329574.db2.gz QGBIRZWCIOEYPP-CQSZACIVSA-N 1 0 384.488 1.395 20 0 GDADRO Cc1nocc1C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571254556 953340146 /nfs/dbraw/zinc/34/01/46/953340146.db2.gz HBQQMWNOMZTBDL-UHFFFAOYSA-N 1 0 385.403 1.600 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1ncc(F)cc1F ZINC001571255139 953345926 /nfs/dbraw/zinc/34/59/26/953345926.db2.gz JCARMYCPMXSHHZ-HDJSIYSDSA-N 1 0 385.378 1.591 20 0 GDADRO Cc1conc1C(=O)N1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1C ZINC001571255579 953350511 /nfs/dbraw/zinc/35/05/11/953350511.db2.gz QMUKJQJBXGDUGB-FZMZJTMJSA-N 1 0 385.403 1.695 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cc1F ZINC001571255595 953350686 /nfs/dbraw/zinc/35/06/86/953350686.db2.gz QPFHEPAYQRTYRK-CYBMUJFWSA-N 1 0 385.403 1.347 20 0 GDADRO O=C(c1cocn1)N1CCC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571256094 953364379 /nfs/dbraw/zinc/36/43/79/953364379.db2.gz XZNIYBVIXFZPIN-CYBMUJFWSA-N 1 0 385.403 1.636 20 0 GDADRO O=C([O-])COc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000659755342 954359043 /nfs/dbraw/zinc/35/90/43/954359043.db2.gz DXKDDGPJDYMGCW-UHFFFAOYSA-N 1 0 398.463 1.487 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001592268919 977525712 /nfs/dbraw/zinc/52/57/12/977525712.db2.gz OISJBQJDCYWERF-YOEHRIQHSA-N 1 0 375.469 1.850 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC001592269939 977532139 /nfs/dbraw/zinc/53/21/39/977532139.db2.gz UYKSQKYWDQOMIE-HNNXBMFYSA-N 1 0 376.501 1.718 20 0 GDADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001596270994 983688500 /nfs/dbraw/zinc/68/85/00/983688500.db2.gz HIRCXAAOUPRVOI-INIZCTEOSA-N 1 0 392.500 1.887 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001594516227 985897734 /nfs/dbraw/zinc/89/77/34/985897734.db2.gz NCUCYPSKPXSVQH-MRXNPFEDSA-N 1 0 396.532 1.068 20 0 GDADRO C[NH+](C)CCOc1ccc(CCC(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)cc1 ZINC001598235444 990954063 /nfs/dbraw/zinc/95/40/63/990954063.db2.gz BJQPAPMABSADGA-KRWDZBQOSA-N 1 0 377.485 1.034 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)C[C@H]1C[NH+](C)C ZINC001598246254 991003237 /nfs/dbraw/zinc/00/32/37/991003237.db2.gz IRVHVDILJFLKRL-HUUCEWRRSA-N 1 0 378.473 1.353 20 0 GDADRO CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001598555203 993047845 /nfs/dbraw/zinc/04/78/45/993047845.db2.gz HLLDMTLHPMDHND-SFHVURJKSA-N 1 0 384.480 1.797 20 0 GDADRO C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001593061974 993572718 /nfs/dbraw/zinc/57/27/18/993572718.db2.gz FKBCYGVGMSYANV-QXAKKESOSA-N 1 0 388.512 1.555 20 0 GDADRO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC001598616329 993887806 /nfs/dbraw/zinc/88/78/06/993887806.db2.gz FQDSWTMSYCVDNV-UHFFFAOYSA-N 1 0 391.512 1.776 20 0 GDADRO CC1(C)C[N@H+](Cc2cccc(C(=O)[O-])c2C[NH+]2C[C@@H](O)C(C)(C)C2)C[C@@H]1O ZINC001593942964 996977001 /nfs/dbraw/zinc/97/70/01/996977001.db2.gz XEXFXRCKJGAWOW-ZWKOTPCHSA-N 1 0 376.497 1.790 20 0 GDADRO COC1([C@@H](C(=O)[O-])[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC001599083950 997060597 /nfs/dbraw/zinc/06/05/97/997060597.db2.gz ZPAKORLGVGJVFL-WOJBJXKFSA-N 1 0 387.524 1.901 20 0 GDADRO COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599463010 998306179 /nfs/dbraw/zinc/30/61/79/998306179.db2.gz QERFRIZCEVODJA-IBGZPJMESA-N 1 0 375.400 1.748 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)cc1 ZINC001560580126 1126213409 /nfs/dbraw/zinc/21/34/09/1126213409.db2.gz LDCBUDMKZHVDEY-SFHVURJKSA-N 1 0 382.457 1.565 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC001591584033 1126216234 /nfs/dbraw/zinc/21/62/34/1126216234.db2.gz SQZAGYPDEBKAGI-FQEVSTJZSA-N 1 0 393.451 1.606 20 0 GDADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1C ZINC001592148583 1126217058 /nfs/dbraw/zinc/21/70/58/1126217058.db2.gz RWRSQTVXKYANKE-KRWDZBQOSA-N 1 0 377.452 1.824 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000158490183 530533637 /nfs/dbraw/zinc/53/36/37/530533637.db2.gz WZVIGBAEIQBOIS-UKRRQHHQSA-N 1 0 385.555 1.709 20 0 GDADRO C[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000158583071 530534108 /nfs/dbraw/zinc/53/41/08/530534108.db2.gz PJYCQHKDFOOJSB-ZDUSSCGKSA-N 1 0 382.302 1.785 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000158824318 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GDADRO CO[C@@H]1CCN(C(=O)c2csc(I)c2)[C@H](C[NH3+])C1 ZINC000161063002 530557314 /nfs/dbraw/zinc/55/73/14/530557314.db2.gz MVYHNXGZOWOVBT-VHSXEESVSA-N 1 0 380.251 1.931 20 0 GDADRO CCN1CCC[C@H]1CNS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000162202807 530566418 /nfs/dbraw/zinc/56/64/18/530566418.db2.gz RKMXOVIIQJVFAK-VIFPVBQESA-N 1 0 386.948 1.568 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2ncc(Cl)c(Cl)c2=O)C1 ZINC000018248979 530566847 /nfs/dbraw/zinc/56/68/47/530566847.db2.gz WZDRFEXSTSBEDE-LLVKDONJSA-N 1 0 377.272 1.023 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000022912894 530573638 /nfs/dbraw/zinc/57/36/38/530573638.db2.gz ZFXHOZOGZCUJSO-UHFFFAOYSA-N 1 0 385.839 1.885 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(I)c(F)c2)CCO1 ZINC000163261385 530574604 /nfs/dbraw/zinc/57/46/04/530574604.db2.gz ZUOMNGBHQSGNQG-UFBFGSQYSA-N 1 0 378.185 1.619 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2Br)[C@@H](C[NH3+])C1 ZINC000167301812 530584201 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C[NH+](C)[C@H](CNC(=O)CNS(=O)(=O)c1cccs1)c1cccc(F)c1 ZINC000032731832 530609242 /nfs/dbraw/zinc/60/92/42/530609242.db2.gz RORRJDWZIDLHGU-CQSZACIVSA-N 1 0 385.486 1.585 20 0 GDADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccccc1I ZINC000172303767 530611341 /nfs/dbraw/zinc/61/13/41/530611341.db2.gz SJXSPVJCTICECZ-UHFFFAOYSA-N 1 0 387.221 1.442 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccccc1I ZINC000172312823 530611536 /nfs/dbraw/zinc/61/15/36/530611536.db2.gz GQUYUTBINARMNO-UHFFFAOYSA-N 1 0 388.249 1.868 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000173457895 530630402 /nfs/dbraw/zinc/63/04/02/530630402.db2.gz WHHPFGOUBZUIJW-GFCCVEGCSA-N 1 0 395.356 1.940 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000042740942 530630545 /nfs/dbraw/zinc/63/05/45/530630545.db2.gz IGDWIPSVWJDDDU-ZDUSSCGKSA-N 1 0 398.301 1.449 20 0 GDADRO CC(C)[C@H](CNS(=O)(=O)c1ccc(Cl)nc1Cl)N1CC[NH+](C)CC1 ZINC000173452886 530630782 /nfs/dbraw/zinc/63/07/82/530630782.db2.gz LJQFXBOBPOVHKS-LBPRGKRZSA-N 1 0 395.356 1.939 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000172725610 530617081 /nfs/dbraw/zinc/61/70/81/530617081.db2.gz SXUXOJQHMLEWQN-UHIISALHSA-N 1 0 389.315 1.792 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000176340442 530681861 /nfs/dbraw/zinc/68/18/61/530681861.db2.gz XYCVAHYQPVYCMJ-UHFFFAOYSA-N 1 0 397.317 1.530 20 0 GDADRO O=C(c1cc(I)c[nH]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174163941 530644392 /nfs/dbraw/zinc/64/43/92/530644392.db2.gz UBZRTJWMDIOBBB-NSHDSACASA-N 1 0 389.237 1.414 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000174641200 530651493 /nfs/dbraw/zinc/65/14/93/530651493.db2.gz HOHXANZGACDTES-UHFFFAOYSA-N 1 0 387.571 1.923 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174906090 530656076 /nfs/dbraw/zinc/65/60/76/530656076.db2.gz PAKKFZSLXGHKNJ-UHFFFAOYSA-N 1 0 394.216 1.360 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000175082389 530658734 /nfs/dbraw/zinc/65/87/34/530658734.db2.gz HHNKCTXSOYJNTL-GJZGRUSLSA-N 1 0 388.555 1.858 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NC2(c3cccc(Br)c3)CC2)CC1=O ZINC000175140512 530659423 /nfs/dbraw/zinc/65/94/23/530659423.db2.gz AQLNWMPSKUQKMM-ZDUSSCGKSA-N 1 0 394.313 1.965 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1Br ZINC000175267298 530661615 /nfs/dbraw/zinc/66/16/15/530661615.db2.gz PMCLORNRFOGHJL-SNVBAGLBSA-N 1 0 393.303 1.791 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000175241589 530661833 /nfs/dbraw/zinc/66/18/33/530661833.db2.gz NDDWJWKTBNALKD-UHFFFAOYSA-N 1 0 386.290 1.781 20 0 GDADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000175275410 530662791 /nfs/dbraw/zinc/66/27/91/530662791.db2.gz QUBXCNNWFGENNG-CYBMUJFWSA-N 1 0 379.448 1.928 20 0 GDADRO CC(C)OCCS(=O)(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000175665702 530668455 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YAILQNDCJVLYGW-UHFFFAOYSA-N 1 0 390.269 1.375 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000054025591 530697940 /nfs/dbraw/zinc/69/79/40/530697940.db2.gz QIHZDRIETSASQM-CQSZACIVSA-N 1 0 382.511 1.498 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000177202432 530698603 /nfs/dbraw/zinc/69/86/03/530698603.db2.gz NGCNMAKWSDXOIT-TZMCWYRMSA-N 1 0 385.917 1.702 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1Br ZINC000177540415 530705451 /nfs/dbraw/zinc/70/54/51/530705451.db2.gz LTMXPXDCAMZFRT-LBPRGKRZSA-N 1 0 384.274 1.949 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCC[NH+](C)C ZINC000055175806 530705696 /nfs/dbraw/zinc/70/56/96/530705696.db2.gz DRUZEBFXXPKNRN-NSHDSACASA-N 1 0 381.420 1.440 20 0 GDADRO C[NH+]1CCN(c2cc(CNS(=O)(=O)c3cccc(Cl)c3)ccn2)CC1 ZINC000056070330 530714749 /nfs/dbraw/zinc/71/47/49/530714749.db2.gz JLWQJUYLXHQFAK-UHFFFAOYSA-N 1 0 380.901 1.965 20 0 GDADRO 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C[C@H](CNC(=O)NCCNC(=O)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000105172510 530841577 /nfs/dbraw/zinc/84/15/77/530841577.db2.gz IUTHQZIBXXMCHL-GFCCVEGCSA-N 1 0 397.317 1.961 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1C ZINC000106100290 530846128 /nfs/dbraw/zinc/84/61/28/530846128.db2.gz WNJPYGISQNNVGX-GHMZBOCLSA-N 1 0 385.262 1.979 20 0 GDADRO O=C(c1ccc(Br)cc1-n1cncn1)N1CC[NH+]2CCC1CC2 ZINC000188670919 530898358 /nfs/dbraw/zinc/89/83/58/530898358.db2.gz JSMJBQHYFPYFCN-UHFFFAOYSA-N 1 0 376.258 1.950 20 0 GDADRO CC[N@H+](C)CCNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000116332585 530904310 /nfs/dbraw/zinc/90/43/10/530904310.db2.gz NDGLRLNGLGDJHZ-UHFFFAOYSA-N 1 0 390.303 1.564 20 0 GDADRO C[NH+]1CCC(CCNC(=O)CSCc2cc(=O)n3ccsc3n2)CC1 ZINC000116490285 530905327 /nfs/dbraw/zinc/90/53/27/530905327.db2.gz IVKJLNLATBQUFA-UHFFFAOYSA-N 1 0 380.539 1.837 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000187928091 530880203 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CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000119956245 530933503 /nfs/dbraw/zinc/93/35/03/530933503.db2.gz RBPVLBFGKLRUCI-HNNXBMFYSA-N 1 0 388.555 1.643 20 0 GDADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(S(=O)(=O)CCC(C)(C)C)CC2)C1 ZINC000117372970 530912617 /nfs/dbraw/zinc/91/26/17/530912617.db2.gz NUOZMRQGIAMRSC-KRWDZBQOSA-N 1 0 375.579 1.479 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000117719676 530913990 /nfs/dbraw/zinc/91/39/90/530913990.db2.gz WXPDKYRJLQCCQZ-VBNZEHGJSA-N 1 0 385.917 1.750 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)[C@H](C)C1 ZINC000189561430 530915794 /nfs/dbraw/zinc/91/57/94/530915794.db2.gz OKDQATJUHUXSPL-GHMZBOCLSA-N 1 0 385.262 1.979 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1Br ZINC000118124084 530916767 /nfs/dbraw/zinc/91/67/67/530916767.db2.gz LYGVSCMNKGCTKO-LBPRGKRZSA-N 1 0 384.274 1.615 20 0 GDADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000118453733 530917385 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CCC([NH3+])(CC)CNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000236764355 531040535 /nfs/dbraw/zinc/04/05/35/531040535.db2.gz IXMVLDIQFOHWNO-UHFFFAOYSA-N 1 0 391.331 1.998 20 0 GDADRO CN(CC(=O)N1CCC[C@H]1C[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000237043425 531042058 /nfs/dbraw/zinc/04/20/58/531042058.db2.gz UVAXUYOOOPDCAD-LBPRGKRZSA-N 1 0 390.303 1.019 20 0 GDADRO CN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C1CC[NH2+]CC1 ZINC000237102861 531042817 /nfs/dbraw/zinc/04/28/17/531042817.db2.gz CLALZYPRZGGSNP-UHFFFAOYSA-N 1 0 385.917 1.949 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000237161158 531043143 /nfs/dbraw/zinc/04/31/43/531043143.db2.gz PUPCCODVRPZOLM-LBPRGKRZSA-N 1 0 379.404 1.351 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)CCO1 ZINC000128653747 531043169 /nfs/dbraw/zinc/04/31/69/531043169.db2.gz ISNPJAGLRAUOFB-SMDDNHRTSA-N 1 0 377.304 1.271 20 0 GDADRO C[NH2+]C[C@@H](C)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000237208332 531044160 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Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237792167 531050030 /nfs/dbraw/zinc/05/00/30/531050030.db2.gz MMLBVVOQDZNMMA-GFCCVEGCSA-N 1 0 386.315 1.907 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237779133 531050455 /nfs/dbraw/zinc/05/04/55/531050455.db2.gz OOPVTMXWNLPMSB-UHFFFAOYSA-N 1 0 391.946 1.670 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000129439674 531050609 /nfs/dbraw/zinc/05/06/09/531050609.db2.gz HRCCKFCVVCEEGJ-ZDUSSCGKSA-N 1 0 388.921 1.211 20 0 GDADRO Cc1c(C(=O)NC[C@@H]2CCC[NH2+]C2)cc(Br)cc1S(N)(=O)=O ZINC000237804292 531050891 /nfs/dbraw/zinc/05/08/91/531050891.db2.gz YKGVSDJRTAPSOZ-SNVBAGLBSA-N 1 0 390.303 1.134 20 0 GDADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000237860527 531051376 /nfs/dbraw/zinc/05/13/76/531051376.db2.gz VUMBBTLRGFITIG-HIFRSBDPSA-N 1 0 380.286 1.861 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000237871692 531051463 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CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)c(Cl)cc21 ZINC000528046098 531340257 /nfs/dbraw/zinc/34/02/57/531340257.db2.gz FCUFZZRVCDZKPD-LLVKDONJSA-N 1 0 381.832 1.510 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000528056632 531340934 /nfs/dbraw/zinc/34/09/34/531340934.db2.gz PFAMJEDATBKWJR-UHFFFAOYSA-N 1 0 379.276 1.244 20 0 GDADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000528055886 531341349 /nfs/dbraw/zinc/34/13/49/531341349.db2.gz IADRRGJVLQHUOJ-GFCCVEGCSA-N 1 0 392.905 1.540 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000440793802 531345017 /nfs/dbraw/zinc/34/50/17/531345017.db2.gz APSVBXRMJGKNFN-CYBMUJFWSA-N 1 0 380.919 1.305 20 0 GDADRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)[C@H]1C ZINC000440814461 531345794 /nfs/dbraw/zinc/34/57/94/531345794.db2.gz DFPJKTHFXZBEOB-SFYZADRCSA-N 1 0 389.275 1.402 20 0 GDADRO COC(=O)[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[N@H+](C)C1 ZINC000411909608 531345836 /nfs/dbraw/zinc/34/58/36/531345836.db2.gz GCMSOZKSESVHMT-LLVKDONJSA-N 1 0 381.274 1.862 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)COc2ccc(Br)cc2F)CC1 ZINC000266724515 531365279 /nfs/dbraw/zinc/36/52/79/531365279.db2.gz MVQWDXCVCSKFBJ-UHFFFAOYSA-N 1 0 375.238 1.540 20 0 GDADRO O=C(c1cccn2c(I)cnc12)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292538180 531360902 /nfs/dbraw/zinc/36/09/02/531360902.db2.gz RQRYKQRGFGTNHH-JQWIXIFHSA-N 1 0 396.232 1.763 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000528784958 531374245 /nfs/dbraw/zinc/37/42/45/531374245.db2.gz VZCZIKYPZXUMGI-YPCHGGDPSA-N 1 0 386.539 1.301 20 0 GDADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1c(Br)cnn1C ZINC000278571925 531370229 /nfs/dbraw/zinc/37/02/29/531370229.db2.gz XNBATVTUAVKTIC-CQSZACIVSA-N 1 0 393.333 1.878 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1cccc(F)c1I ZINC000528685842 531371511 /nfs/dbraw/zinc/37/15/11/531371511.db2.gz LLFQJBKSPYJJQV-MRVPVSSYSA-N 1 0 379.173 1.540 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NCC[N@H+](C)C2CC2)cc1Br ZINC000266987433 531383604 /nfs/dbraw/zinc/38/36/04/531383604.db2.gz BLZZJDKTRSPPMA-UHFFFAOYSA-N 1 0 393.303 1.839 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000443085976 531385744 /nfs/dbraw/zinc/38/57/44/531385744.db2.gz DWXSYQHXBXBFNO-UHFFFAOYSA-N 1 0 383.495 1.682 20 0 GDADRO O[C@@H](COCC(F)(F)F)C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000292929412 531390191 /nfs/dbraw/zinc/39/01/91/531390191.db2.gz MJQRNWOJTUWZPV-LLVKDONJSA-N 1 0 376.404 1.753 20 0 GDADRO CON(C)S(=O)(=O)c1cccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000267056363 531392462 /nfs/dbraw/zinc/39/24/62/531392462.db2.gz ARSARAYUIFAIEF-INIZCTEOSA-N 1 0 387.527 1.036 20 0 GDADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)N1CCSc2ccccc21 ZINC000412997583 531393280 /nfs/dbraw/zinc/39/32/80/531393280.db2.gz WWBPCOJSGOSEBG-LBPRGKRZSA-N 1 0 378.527 1.854 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000529069110 531378825 /nfs/dbraw/zinc/37/88/25/531378825.db2.gz NCRZZZUEPDSUKV-ZIAGYGMSSA-N 1 0 377.869 1.356 20 0 GDADRO C[N@H+](CCNC(=O)Cc1ccc(S(N)(=O)=O)s1)Cc1ccc(F)cc1 ZINC000530654300 531399571 /nfs/dbraw/zinc/39/95/71/531399571.db2.gz QSBHFEQZZFGVRQ-UHFFFAOYSA-N 1 0 385.486 1.325 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)NCCc2ccccc2Br)CC[N@H+](C)C1 ZINC000413208093 531399756 /nfs/dbraw/zinc/39/97/56/531399756.db2.gz SBYQRYNKTUZOEG-CQSZACIVSA-N 1 0 398.301 1.738 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)CCSC1 ZINC000267126353 531400940 /nfs/dbraw/zinc/40/09/40/531400940.db2.gz QVEZGZWYLFPXCD-AWEZNQCLSA-N 1 0 377.919 1.155 20 0 GDADRO O=C(CC[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)NC(=O)NCC(F)(F)F ZINC000444737840 531402840 /nfs/dbraw/zinc/40/28/40/531402840.db2.gz SJOHVSIYRYXJQN-WCBMZHEXSA-N 1 0 379.301 1.400 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000293198670 531407171 /nfs/dbraw/zinc/40/71/71/531407171.db2.gz LKMXHLUHHZHFIE-MRXNPFEDSA-N 1 0 381.274 1.645 20 0 GDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000483132073 531407990 /nfs/dbraw/zinc/40/79/90/531407990.db2.gz VJPIYOLFJPSOPM-OAHLLOKOSA-N 1 0 384.311 1.427 20 0 GDADRO Cc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1NS(C)(=O)=O ZINC000267186580 531408101 /nfs/dbraw/zinc/40/81/01/531408101.db2.gz NVQGNVXBIIDWJC-MRXNPFEDSA-N 1 0 386.543 1.925 20 0 GDADRO Cc1nc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000447145658 531417286 /nfs/dbraw/zinc/41/72/86/531417286.db2.gz IKKIWLOIDBHCTI-LBPRGKRZSA-N 1 0 381.274 1.786 20 0 GDADRO OC[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000483260550 531410197 /nfs/dbraw/zinc/41/01/97/531410197.db2.gz PWHRRTITAIHIEM-DOMZBBRYSA-N 1 0 382.810 1.675 20 0 GDADRO Cc1ccc(F)c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1Br ZINC000279105900 531413574 /nfs/dbraw/zinc/41/35/74/531413574.db2.gz VMNRZVOGKOLZBZ-GFCCVEGCSA-N 1 0 386.265 1.966 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cccc(Br)c2Cl)C1 ZINC000413652903 531413997 /nfs/dbraw/zinc/41/39/97/531413997.db2.gz JFONTBISRUNRKY-AWEZNQCLSA-N 1 0 376.682 1.968 20 0 GDADRO COCCN1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000447078972 531415121 /nfs/dbraw/zinc/41/51/21/531415121.db2.gz SKTNQHIVVDIFBK-CYBMUJFWSA-N 1 0 380.432 1.919 20 0 GDADRO C[C@@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H](C)[N@H+]1C ZINC000293421924 531420779 /nfs/dbraw/zinc/42/07/79/531420779.db2.gz NFAHWQLAIAKXTH-BETUJISGSA-N 1 0 397.317 1.528 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cccc(I)c2)C1 ZINC000447240671 531420943 /nfs/dbraw/zinc/42/09/43/531420943.db2.gz SEXRCDLFVKFSIL-ZJUUUORDSA-N 1 0 380.251 1.649 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000447241501 531421028 /nfs/dbraw/zinc/42/10/28/531421028.db2.gz APOPKHVHIWIUDG-UONOGXRCSA-N 1 0 389.543 1.586 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)NC[C@H](C)C[NH3+])cc1Br ZINC000447241681 531421122 /nfs/dbraw/zinc/42/11/22/531421122.db2.gz BPZJXZXXIVAYMV-MRVPVSSYSA-N 1 0 378.292 1.589 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)COc2ccccc2Br)CC[N@H+](C)C1 ZINC000413902838 531421599 /nfs/dbraw/zinc/42/15/99/531421599.db2.gz NYJJARWXRGXHOX-LBPRGKRZSA-N 1 0 385.258 1.391 20 0 GDADRO C[C@@H](C[NH3+])CNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000447246974 531422243 /nfs/dbraw/zinc/42/22/43/531422243.db2.gz QLPKQCHAEHTSOJ-QMMMGPOBSA-N 1 0 376.276 1.207 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000447248868 531422941 /nfs/dbraw/zinc/42/29/41/531422941.db2.gz LEUSKPPXTCXSHJ-HTQZYQBOSA-N 1 0 389.275 1.389 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000267320660 531418928 /nfs/dbraw/zinc/41/89/28/531418928.db2.gz CARFDBOIWUNEBP-UHFFFAOYSA-N 1 0 384.274 1.915 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)COc2cccc(Br)c2)CC[N@H+](C)C1 ZINC000413920670 531424459 /nfs/dbraw/zinc/42/44/59/531424459.db2.gz NQIBLAPMRMJSCG-LBPRGKRZSA-N 1 0 385.258 1.391 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000447429399 531428552 /nfs/dbraw/zinc/42/85/52/531428552.db2.gz XZBGYIMBRFUTSZ-UHFFFAOYSA-N 1 0 391.559 1.844 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000447430417 531428578 /nfs/dbraw/zinc/42/85/78/531428578.db2.gz GTBKOQNRZQIVOL-LLVKDONJSA-N 1 0 375.516 1.398 20 0 GDADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1S(C)(=O)=O ZINC000447567032 531430051 /nfs/dbraw/zinc/43/00/51/531430051.db2.gz YPXCHWUYCLQXQT-CYBMUJFWSA-N 1 0 382.507 1.897 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000279468221 531434735 /nfs/dbraw/zinc/43/47/35/531434735.db2.gz HGJLUFODIJXMLC-AWEZNQCLSA-N 1 0 388.310 1.446 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000485560001 531436427 /nfs/dbraw/zinc/43/64/27/531436427.db2.gz KNDIVGVLEBZDMA-GXFFZTMASA-N 1 0 379.404 1.663 20 0 GDADRO CC(C)[N@H+](C)CCCNCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414277053 531437147 /nfs/dbraw/zinc/43/71/47/531437147.db2.gz YUFBYEGXHXIZPL-UHFFFAOYSA-N 1 0 378.336 1.916 20 0 GDADRO COCC[N@H+](C)CCCNCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414269232 531437183 /nfs/dbraw/zinc/43/71/83/531437183.db2.gz KMNPDUQQVSLLAV-UHFFFAOYSA-N 1 0 394.335 1.154 20 0 GDADRO CS[C@H]1CN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)C[C@H]1[NH+](C)C ZINC000534092102 531433544 /nfs/dbraw/zinc/43/35/44/531433544.db2.gz KDQUTENVFBPMAN-CABCVRRESA-N 1 0 384.933 1.643 20 0 GDADRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414316402 531438357 /nfs/dbraw/zinc/43/83/57/531438357.db2.gz NTINZBYUWZFEPE-GFCCVEGCSA-N 1 0 395.319 1.220 20 0 GDADRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000414296983 531438940 /nfs/dbraw/zinc/43/89/40/531438940.db2.gz GAEKWQKYKBDYHK-CQSZACIVSA-N 1 0 384.885 1.825 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)s1 ZINC000414308926 531439244 /nfs/dbraw/zinc/43/92/44/531439244.db2.gz QRFJMNFCWKFCSN-NSHDSACASA-N 1 0 385.463 1.410 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000361273659 531447017 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Cc1c(Cl)c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)sc1S(N)(=O)=O ZINC000293990178 531455584 /nfs/dbraw/zinc/45/55/84/531455584.db2.gz WHVZDIFNEBFYDL-CQSZACIVSA-N 1 0 377.919 1.525 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1OC ZINC000279844101 531457473 /nfs/dbraw/zinc/45/74/73/531457473.db2.gz RSAMHVKXQUCJJS-GFCCVEGCSA-N 1 0 391.921 1.271 20 0 GDADRO O=C1CCCN1[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000536371340 531450723 /nfs/dbraw/zinc/45/07/23/531450723.db2.gz UYTFDQSMDOUWFM-GJZGRUSLSA-N 1 0 383.286 1.886 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000449710281 531474005 /nfs/dbraw/zinc/47/40/05/531474005.db2.gz AAWFYYQTXFDHBI-SMDDNHRTSA-N 1 0 389.315 1.608 20 0 GDADRO O=C(NCCS(=O)(=O)N1CCSCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000363136800 531474301 /nfs/dbraw/zinc/47/43/01/531474301.db2.gz NVNPPBVBHABYLM-OAHLLOKOSA-N 1 0 389.587 1.136 20 0 GDADRO C[NH+](C)C1CN(C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)C1 ZINC000294352412 531474483 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O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415332091 531475362 /nfs/dbraw/zinc/47/53/62/531475362.db2.gz HKOZFWKWGSVWTP-MRVPVSSYSA-N 1 0 376.201 1.782 20 0 GDADRO O=C(Nc1cc(Br)ccc1Br)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415330548 531475655 /nfs/dbraw/zinc/47/56/55/531475655.db2.gz OFLPCDGTPOTKLG-QMMMGPOBSA-N 1 0 391.063 1.628 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449754945 531475716 /nfs/dbraw/zinc/47/57/16/531475716.db2.gz NDILOGHUTMPVGX-UHIISALHSA-N 1 0 398.301 1.706 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000415328505 531475786 /nfs/dbraw/zinc/47/57/86/531475786.db2.gz CIVOWTHKFFYSDX-NSHDSACASA-N 1 0 384.274 1.820 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415341399 531476601 /nfs/dbraw/zinc/47/66/01/531476601.db2.gz OZIZYSRKSQYXSM-NSHDSACASA-N 1 0 383.290 1.270 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000267870128 531458965 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CN1CCNC[C@@H]1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414975732 531464126 /nfs/dbraw/zinc/46/41/26/531464126.db2.gz MMSYBXGCYLJBAD-QGZVFWFLSA-N 1 0 381.362 1.907 20 0 GDADRO Brc1ccc(CNC[C@@H]2C[NH2+]CCCO2)c(N2CCOCC2)c1 ZINC000415033841 531465570 /nfs/dbraw/zinc/46/55/70/531465570.db2.gz HLHNGGVKUXTBBI-INIZCTEOSA-N 1 0 384.318 1.754 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000268009253 531466372 /nfs/dbraw/zinc/46/63/72/531466372.db2.gz OYRIGDZWBUJQDD-STQMWFEESA-N 1 0 389.543 1.275 20 0 GDADRO O=C(CC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)NC1CCCC1 ZINC000363005295 531467720 /nfs/dbraw/zinc/46/77/20/531467720.db2.gz YIYOOSDUVHIJID-UHFFFAOYSA-N 1 0 385.555 1.940 20 0 GDADRO CCOC[C@H](O)C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449162523 531467721 /nfs/dbraw/zinc/46/77/21/531467721.db2.gz JIWOBBZTLPZZEE-BXUZGUMPSA-N 1 0 389.290 1.449 20 0 GDADRO [NH3+]CCN(CCO)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415209137 531468512 /nfs/dbraw/zinc/46/85/12/531468512.db2.gz IKCUHTSBOMYUPQ-UHFFFAOYSA-N 1 0 396.289 1.673 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363031955 531468851 /nfs/dbraw/zinc/46/88/51/531468851.db2.gz YBLVPIUBQQBPHX-LLVKDONJSA-N 1 0 394.321 1.706 20 0 GDADRO CN(CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000363026768 531469289 /nfs/dbraw/zinc/46/92/89/531469289.db2.gz MWNUQCANNIGOTE-GJZGRUSLSA-N 1 0 385.917 1.704 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000449409470 531469723 /nfs/dbraw/zinc/46/97/23/531469723.db2.gz UBPZFQXAHQINRA-HZMBPMFUSA-N 1 0 380.279 1.658 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C1 ZINC000415266729 531470425 /nfs/dbraw/zinc/47/04/25/531470425.db2.gz GWADDKJKDCFHAB-ZDUSSCGKSA-N 1 0 382.917 1.781 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000449441347 531471164 /nfs/dbraw/zinc/47/11/64/531471164.db2.gz GKKSLIYCMYOUEN-ZDUSSCGKSA-N 1 0 387.933 1.862 20 0 GDADRO C[C@@H]1CN(Cc2cn(-c3ccccc3Br)nn2)C[C@H](C)[N@H+]1CCO ZINC000449539929 531471894 /nfs/dbraw/zinc/47/18/94/531471894.db2.gz WTKDVHXNYITSLN-OKILXGFUSA-N 1 0 394.317 1.917 20 0 GDADRO CN(CC[N@H+](C)Cc1cc(C(N)=O)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000449419709 531472205 /nfs/dbraw/zinc/47/22/05/531472205.db2.gz CHFIBUICQCQIHD-UHFFFAOYSA-N 1 0 382.511 1.063 20 0 GDADRO O=C(NCCC[NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000540417886 531472638 /nfs/dbraw/zinc/47/26/38/531472638.db2.gz BTWVPQQAHWUNCS-AWEZNQCLSA-N 1 0 389.315 1.736 20 0 GDADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415302788 531472751 /nfs/dbraw/zinc/47/27/51/531472751.db2.gz CPUUZKQRMHTMFH-CYBMUJFWSA-N 1 0 382.917 1.700 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 ZINC000415357505 531478661 /nfs/dbraw/zinc/47/86/61/531478661.db2.gz SBEACORRKQYWEV-QMMMGPOBSA-N 1 0 380.164 1.966 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)NC[C@@H](C)C[NH3+])c1 ZINC000415360274 531479137 /nfs/dbraw/zinc/47/91/37/531479137.db2.gz LRRUNCFHJBITCO-QMMMGPOBSA-N 1 0 391.209 1.794 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000415362283 531479220 /nfs/dbraw/zinc/47/92/20/531479220.db2.gz OQXVIKHXHTVWGA-LBPRGKRZSA-N 1 0 387.221 1.440 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415362106 531479261 /nfs/dbraw/zinc/47/92/61/531479261.db2.gz AQBHXIFASYPEDH-UHFFFAOYSA-N 1 0 384.267 1.902 20 0 GDADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000280184708 531479547 /nfs/dbraw/zinc/47/95/47/531479547.db2.gz GTINZEOGHILJMJ-WFASDCNBSA-N 1 0 383.905 1.728 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000415389249 531481542 /nfs/dbraw/zinc/48/15/42/531481542.db2.gz DUFZLHCZFUXCQY-JTQLQIEISA-N 1 0 387.221 1.298 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)C1 ZINC000415399340 531482378 /nfs/dbraw/zinc/48/23/78/531482378.db2.gz URNALVKLPLYMKT-LLVKDONJSA-N 1 0 384.274 1.773 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268191055 531482538 /nfs/dbraw/zinc/48/25/38/531482538.db2.gz POCKZYACXIDNQD-YGRLFVJLSA-N 1 0 396.285 1.995 20 0 GDADRO COc1cc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc(OC)c1Br ZINC000415405907 531483332 /nfs/dbraw/zinc/48/33/32/531483332.db2.gz CXIMQVZMSIZJSJ-NSHDSACASA-N 1 0 387.278 1.491 20 0 GDADRO Cc1cc(F)c(NC(=O)NC[C@@H]2C[NH2+]CCO2)c(I)c1 ZINC000415404489 531483438 /nfs/dbraw/zinc/48/34/38/531483438.db2.gz MVLMRDVNAMVYEA-VIFPVBQESA-N 1 0 393.200 1.849 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415552195 531493425 /nfs/dbraw/zinc/49/34/25/531493425.db2.gz NBPXESCXTDOXMW-JTQLQIEISA-N 1 0 380.246 1.427 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccncc1I ZINC000415426038 531485061 /nfs/dbraw/zinc/48/50/61/531485061.db2.gz MNWQWJORTUBZPM-NSHDSACASA-N 1 0 376.242 1.945 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415428574 531485341 /nfs/dbraw/zinc/48/53/41/531485341.db2.gz CWMGGQOBJDWEGF-WDEREUQCSA-N 1 0 384.274 1.982 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000415430565 531485351 /nfs/dbraw/zinc/48/53/51/531485351.db2.gz FMHOURTZFKYTCH-GXFFZTMASA-N 1 0 384.274 1.982 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415428572 531485385 /nfs/dbraw/zinc/48/53/85/531485385.db2.gz CWMGGQOBJDWEGF-QWRGUYRKSA-N 1 0 384.274 1.982 20 0 GDADRO O=C(Nc1ccncc1I)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415432369 531485389 /nfs/dbraw/zinc/48/53/89/531485389.db2.gz VYGOZOJCERJRCP-SECBINFHSA-N 1 0 382.152 1.227 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415437034 531485991 /nfs/dbraw/zinc/48/59/91/531485991.db2.gz KFPCYELWGNFQSE-ZDUSSCGKSA-N 1 0 394.273 1.673 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000415441819 531486074 /nfs/dbraw/zinc/48/60/74/531486074.db2.gz NEZNJWUTTYKHEL-WDEREUQCSA-N 1 0 384.274 1.982 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1Br ZINC000415434152 531486294 /nfs/dbraw/zinc/48/62/94/531486294.db2.gz ACBZSKXJRXGMIJ-JTQLQIEISA-N 1 0 386.246 1.274 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268221412 531486312 /nfs/dbraw/zinc/48/63/12/531486312.db2.gz QLNLMSPNSMVYBW-WQGACYEGSA-N 1 0 385.917 1.606 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000488668279 531487366 /nfs/dbraw/zinc/48/73/66/531487366.db2.gz MDKNSMPAZILSCA-NSHDSACASA-N 1 0 377.869 1.345 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1)C1CC1 ZINC000415457123 531488169 /nfs/dbraw/zinc/48/81/69/531488169.db2.gz SGEZKACVCZOBRE-CQSZACIVSA-N 1 0 382.917 1.685 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(I)cc2Cl)C1 ZINC000545153993 531489108 /nfs/dbraw/zinc/48/91/08/531489108.db2.gz CPDAJVLWLOGHTC-ZDUSSCGKSA-N 1 0 394.640 1.741 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000545302681 531490137 /nfs/dbraw/zinc/49/01/37/531490137.db2.gz GFMNMSRLGISZIW-TZMCWYRMSA-N 1 0 395.305 1.548 20 0 GDADRO [NH3+]CCN(CCO)C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415500235 531491259 /nfs/dbraw/zinc/49/12/59/531491259.db2.gz MJCHVKKVQJRHBR-UHFFFAOYSA-N 1 0 386.275 1.753 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(I)ccc1C ZINC000415522948 531491657 /nfs/dbraw/zinc/49/16/57/531491657.db2.gz XPBXDVMRRXDJSV-UHFFFAOYSA-N 1 0 389.237 1.654 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415528925 531491723 /nfs/dbraw/zinc/49/17/23/531491723.db2.gz SLFBIARYNMUDOE-GHMZBOCLSA-N 1 0 384.274 1.982 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(I)c1 ZINC000415521259 531491726 /nfs/dbraw/zinc/49/17/26/531491726.db2.gz SWUMHAQALNIDAG-UHFFFAOYSA-N 1 0 375.210 1.346 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000658428698 531511115 /nfs/dbraw/zinc/51/11/15/531511115.db2.gz YDGYATMCDTXUOP-UHFFFAOYSA-N 1 0 375.300 1.932 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1Br ZINC000415673185 531511716 /nfs/dbraw/zinc/51/17/16/531511716.db2.gz GFCWQOYTQZJIRN-NSHDSACASA-N 1 0 384.274 1.984 20 0 GDADRO O=S(=O)([N-]CC(F)(F)F)NC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450826792 531512104 /nfs/dbraw/zinc/51/21/04/531512104.db2.gz IFGWBIOTOOYXNY-JTQLQIEISA-N 1 0 379.395 1.873 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000363938260 531519585 /nfs/dbraw/zinc/51/95/85/531519585.db2.gz NTSVNSSUPYJXTL-QWHCGFSZSA-N 1 0 385.917 1.947 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415681700 531513699 /nfs/dbraw/zinc/51/36/99/531513699.db2.gz ACSNDIQJBWVXNF-INIZCTEOSA-N 1 0 384.274 1.984 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000658539839 531514007 /nfs/dbraw/zinc/51/40/07/531514007.db2.gz IJOJEQGIZMTBON-UHFFFAOYSA-N 1 0 381.889 1.761 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000268445955 531514121 /nfs/dbraw/zinc/51/41/21/531514121.db2.gz WLFJNFWHBGCJHB-CABCVRRESA-N 1 0 380.286 1.922 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccccc2I)C1 ZINC000415690800 531515650 /nfs/dbraw/zinc/51/56/50/531515650.db2.gz MIXZKUNQYQBMHO-AWEZNQCLSA-N 1 0 387.221 1.427 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489956813 531516860 /nfs/dbraw/zinc/51/68/60/531516860.db2.gz NVCMMUMGIGRULO-ZIAGYGMSSA-N 1 0 381.318 1.756 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H](C)CC[NH3+])nn1-c1ccc(Cl)c(Cl)c1 ZINC000415547876 531493975 /nfs/dbraw/zinc/49/39/75/531493975.db2.gz DFYDRPAWUFUAID-SECBINFHSA-N 1 0 384.267 2.280 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cc1Br ZINC000415558902 531494567 /nfs/dbraw/zinc/49/45/67/531494567.db2.gz KJQFKSBLBXRBIX-UHFFFAOYSA-N 1 0 384.274 1.902 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1OC ZINC000415559631 531494848 /nfs/dbraw/zinc/49/48/48/531494848.db2.gz LVXOQONRKIRIQD-UHFFFAOYSA-N 1 0 386.246 1.402 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)NCCCC[NH3+])sc2c1CCCS2 ZINC000415562835 531495594 /nfs/dbraw/zinc/49/55/94/531495594.db2.gz JLBMAKIGNVKBRO-UHFFFAOYSA-N 1 0 385.511 1.757 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCCCC[NH3+])nn1-c1ccc(Cl)c(Cl)c1 ZINC000415561615 531495738 /nfs/dbraw/zinc/49/57/38/531495738.db2.gz IGKBGRGYPGOABG-UHFFFAOYSA-N 1 0 384.267 2.281 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415561488 531495797 /nfs/dbraw/zinc/49/57/97/531495797.db2.gz WOVJQQYPFFXBOK-SECBINFHSA-N 1 0 386.246 1.418 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1ccc(I)cc1F ZINC000450442060 531496278 /nfs/dbraw/zinc/49/62/78/531496278.db2.gz SEWROSNCOOXHRN-UHFFFAOYSA-N 1 0 380.201 1.738 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415577047 531496373 /nfs/dbraw/zinc/49/63/73/531496373.db2.gz ZBXNIWVEMDGGGV-UHFFFAOYSA-N 1 0 395.628 1.738 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000415578622 531496857 /nfs/dbraw/zinc/49/68/57/531496857.db2.gz PIPDHSOPPJAWHP-NXEZZACHSA-N 1 0 398.257 1.370 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000581547543 531498099 /nfs/dbraw/zinc/49/80/99/531498099.db2.gz IISNHDCFZFGYOL-NWDGAFQWSA-N 1 0 393.481 1.323 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2c(F)cc(Cl)c(C)c2F)CCC[NH2+]1 ZINC000415713565 531518836 /nfs/dbraw/zinc/51/88/36/531518836.db2.gz XCHOPLPONGFHHH-MRXNPFEDSA-N 1 0 375.803 1.750 20 0 GDADRO COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C ZINC000657947740 531498359 /nfs/dbraw/zinc/49/83/59/531498359.db2.gz CJMQJEXWRWCQNR-RYQLBKOJSA-N 1 0 376.563 1.856 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000280450914 531499552 /nfs/dbraw/zinc/49/95/52/531499552.db2.gz GEWVDFRHJGLXIY-UHFFFAOYSA-N 1 0 394.317 1.773 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CCO1 ZINC000415593661 531500242 /nfs/dbraw/zinc/50/02/42/531500242.db2.gz FGCDPJCTSZIUES-MRVPVSSYSA-N 1 0 376.638 1.227 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)C2)CC1 ZINC000363695741 531500464 /nfs/dbraw/zinc/50/04/64/531500464.db2.gz ONKDQMPVPACMKP-CYBMUJFWSA-N 1 0 380.436 1.798 20 0 GDADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000294841761 531502021 /nfs/dbraw/zinc/50/20/21/531502021.db2.gz RCSGKBJZULRQHH-KRWDZBQOSA-N 1 0 383.901 1.782 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415627944 531507099 /nfs/dbraw/zinc/50/70/99/531507099.db2.gz TVMAELUBPCTRKT-NOZJJQNGSA-N 1 0 398.257 1.288 20 0 GDADRO Cn1ncc(Br)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000294922182 531507669 /nfs/dbraw/zinc/50/76/69/531507669.db2.gz TVXNQHKKIIOBRL-UHFFFAOYSA-N 1 0 379.262 1.582 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Br)cc1C(=O)OC ZINC000415654188 531508280 /nfs/dbraw/zinc/50/82/80/531508280.db2.gz HWHINZLRJYKXCP-SECBINFHSA-N 1 0 386.246 1.288 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000268418915 531509393 /nfs/dbraw/zinc/50/93/93/531509393.db2.gz CFLRSVRYFMHMDM-MRXNPFEDSA-N 1 0 384.318 1.578 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[NH2+]1 ZINC000415663513 531510137 /nfs/dbraw/zinc/51/01/37/531510137.db2.gz RQBXAAGLSBWWHP-IONNQARKSA-N 1 0 376.201 1.923 20 0 GDADRO CSCC[C@H]([NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C)C(=O)N(C)C ZINC000489825801 531510148 /nfs/dbraw/zinc/51/01/48/531510148.db2.gz GZTQRPAGJZYPBP-HIFRSBDPSA-N 1 0 387.571 1.811 20 0 GDADRO CC[NH+]1CCC(NC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000280667971 531523042 /nfs/dbraw/zinc/52/30/42/531523042.db2.gz CEXCEFWNHQLYIF-AWEZNQCLSA-N 1 0 383.290 1.759 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415743455 531523807 /nfs/dbraw/zinc/52/38/07/531523807.db2.gz LUYSIHBSRROYKL-IUCAKERBSA-N 1 0 378.230 1.279 20 0 GDADRO CC[C@@H](C(=O)NCCNS(=O)(=O)c1ccc(F)c(Cl)c1)[NH+](CC)CC ZINC000549741433 531523959 /nfs/dbraw/zinc/52/39/59/531523959.db2.gz UDBZQWCUUMEQPQ-HNNXBMFYSA-N 1 0 393.912 1.994 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415743388 531524025 /nfs/dbraw/zinc/52/40/25/531524025.db2.gz LPPIYXIMVOLZJJ-KWQFWETISA-N 1 0 388.237 1.874 20 0 GDADRO C[C@H]1C[N@H+](CCO)CCN1c1ncnc2cccc(I)c21 ZINC000450956217 531524044 /nfs/dbraw/zinc/52/40/44/531524044.db2.gz REHMWIHODJMHNJ-NSHDSACASA-N 1 0 398.248 1.737 20 0 GDADRO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635934521 531524500 /nfs/dbraw/zinc/52/45/00/531524500.db2.gz DKLXWMQALIIHIT-OAHLLOKOSA-N 1 0 375.579 1.873 20 0 GDADRO Cn1ncc(Br)c1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000581984040 531524993 /nfs/dbraw/zinc/52/49/93/531524993.db2.gz REEPXELEFRVWJJ-CYBMUJFWSA-N 1 0 385.306 1.900 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415761027 531525135 /nfs/dbraw/zinc/52/51/35/531525135.db2.gz MLECNFKJOLFIBB-LLVKDONJSA-N 1 0 394.273 1.817 20 0 GDADRO COCCN1CC[C@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000295128882 531525232 /nfs/dbraw/zinc/52/52/32/531525232.db2.gz KSRYZUJUOBZCJY-VIFPVBQESA-N 1 0 398.710 1.497 20 0 GDADRO O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415767182 531526475 /nfs/dbraw/zinc/52/64/75/531526475.db2.gz YCGSPFREBXTENO-GDGBQDQQSA-N 1 0 377.750 1.554 20 0 GDADRO O=C(NCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccc(Br)cc1 ZINC000280699187 531526658 /nfs/dbraw/zinc/52/66/58/531526658.db2.gz CCSBXSNPSOSUCD-CXAGYDPISA-N 1 0 380.286 1.685 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000415763405 531527157 /nfs/dbraw/zinc/52/71/57/531527157.db2.gz XNWZNZCUPHIMPC-TXEJJXNPSA-N 1 0 396.285 1.854 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415764144 531527249 /nfs/dbraw/zinc/52/72/49/531527249.db2.gz PHEKUNCLXWUHAJ-GFCCVEGCSA-N 1 0 381.274 1.631 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[NH+]2CCCC2)c(F)c1 ZINC000451004697 531527781 /nfs/dbraw/zinc/52/77/81/531527781.db2.gz WCLMUEGVMHCBMQ-UHFFFAOYSA-N 1 0 393.506 1.352 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])n(-c2cccc(Br)c2)n1 ZINC000415781184 531528370 /nfs/dbraw/zinc/52/83/70/531528370.db2.gz JNIODBGCEFAYHG-WDEREUQCSA-N 1 0 394.273 1.734 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415779959 531528755 /nfs/dbraw/zinc/52/87/55/531528755.db2.gz LLRYZSFRVLXEEY-YPMHNXCESA-N 1 0 396.285 1.915 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415782654 531529564 /nfs/dbraw/zinc/52/95/64/531529564.db2.gz NFZJQEPAGCQQSY-WCQYABFASA-N 1 0 396.285 1.915 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC)cc2Br)C1 ZINC000658779544 531530034 /nfs/dbraw/zinc/53/00/34/531530034.db2.gz QZBSTLACYOBHIG-LLVKDONJSA-N 1 0 384.274 1.997 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)c(F)c1 ZINC000451009475 531530117 /nfs/dbraw/zinc/53/01/17/531530117.db2.gz PKVUQMVOBAYULY-UHFFFAOYSA-N 1 0 393.506 1.350 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc(Br)c1F ZINC000415789429 531531443 /nfs/dbraw/zinc/53/14/43/531531443.db2.gz QZIMOEFUBVDYDP-RQJHMYQMSA-N 1 0 390.209 1.165 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280715839 531531524 /nfs/dbraw/zinc/53/15/24/531531524.db2.gz JTKFAPROBKHPAI-YVEFUNNKSA-N 1 0 382.302 1.993 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)cc(Cl)c1F ZINC000415790754 531531666 /nfs/dbraw/zinc/53/16/66/531531666.db2.gz PSSCOXKIOGKCHD-VIFPVBQESA-N 1 0 381.738 1.303 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)ccc1Br ZINC000415788727 531531827 /nfs/dbraw/zinc/53/18/27/531531827.db2.gz MRDUKGSLKBUBTA-SECBINFHSA-N 1 0 380.189 1.495 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415788783 531531926 /nfs/dbraw/zinc/53/19/26/531531926.db2.gz OYWRLNIMIFQHRU-MRVPVSSYSA-N 1 0 395.628 1.737 20 0 GDADRO Cc1cc(I)cc(NC(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000415718294 531519995 /nfs/dbraw/zinc/51/99/95/531519995.db2.gz ZWUYHDVXNNUPJA-LBPRGKRZSA-N 1 0 375.210 1.710 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000611696155 531536881 /nfs/dbraw/zinc/53/68/81/531536881.db2.gz LIIFINKBLJFNSA-UHFFFAOYSA-N 1 0 385.258 1.407 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c1Br ZINC000415828120 531537180 /nfs/dbraw/zinc/53/71/80/531537180.db2.gz DYEHFAXBEMPZEY-SNVBAGLBSA-N 1 0 388.237 1.330 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[C@H]1F ZINC000659011423 531537251 /nfs/dbraw/zinc/53/72/51/531537251.db2.gz GWXGXFVSRKXFCV-GHMZBOCLSA-N 1 0 383.225 1.933 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC(C)(C)c3ccc(Br)cc32)CC[NH2+]1 ZINC000659077842 531537825 /nfs/dbraw/zinc/53/78/25/531537825.db2.gz OFHUALSMNSXDKJ-LLVKDONJSA-N 1 0 380.286 1.894 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415829000 531538024 /nfs/dbraw/zinc/53/80/24/531538024.db2.gz DNLOXFMFCRPWOV-CBAPKCEASA-N 1 0 376.201 1.909 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000415833340 531538827 /nfs/dbraw/zinc/53/88/27/531538827.db2.gz MWQASWQNZQLREJ-JOYOIKCWSA-N 1 0 387.221 1.473 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)CC12CCOCC2 ZINC000582181061 531539208 /nfs/dbraw/zinc/53/92/08/531539208.db2.gz DSDJXNRYRLAWOR-SNVBAGLBSA-N 1 0 395.344 1.887 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC[NH2+]1 ZINC000659087559 531540170 /nfs/dbraw/zinc/54/01/70/531540170.db2.gz OGOCCUUZMZHHJW-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000280780469 531540522 /nfs/dbraw/zinc/54/05/22/531540522.db2.gz FPXNUZZFMVSZFG-IUODEOHRSA-N 1 0 397.317 1.972 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000558029649 531541734 /nfs/dbraw/zinc/54/17/34/531541734.db2.gz BAEYBNPIIRMUJX-NSHDSACASA-N 1 0 392.319 1.184 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CCCO1 ZINC000415848142 531541968 /nfs/dbraw/zinc/54/19/68/531541968.db2.gz CQOWBBANSPVSBU-NSHDSACASA-N 1 0 397.273 1.236 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000415845534 531542116 /nfs/dbraw/zinc/54/21/16/531542116.db2.gz KBDPZSZTHZRLLB-WDEREUQCSA-N 1 0 384.274 1.840 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000659101748 531542627 /nfs/dbraw/zinc/54/26/27/531542627.db2.gz VWSJIDNPRJYLOY-UHFFFAOYSA-N 1 0 390.241 1.281 20 0 GDADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415863475 531544001 /nfs/dbraw/zinc/54/40/01/531544001.db2.gz XNGFPHGAVGCCOV-RYUDHWBXSA-N 1 0 381.274 1.631 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCO1 ZINC000364213820 531544753 /nfs/dbraw/zinc/54/47/53/531544753.db2.gz QPUWXMVQIVLDNP-QMMMGPOBSA-N 1 0 387.658 1.590 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CCCO1 ZINC000415861403 531545306 /nfs/dbraw/zinc/54/53/06/531545306.db2.gz ORJFKBRLRCCKPB-JTQLQIEISA-N 1 0 379.766 1.874 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCCO1 ZINC000415866271 531546928 /nfs/dbraw/zinc/54/69/28/531546928.db2.gz VDIODKOFRZPOBW-LBPRGKRZSA-N 1 0 379.766 1.874 20 0 GDADRO CN(C)C(=O)CCN1CCN(C(=O)Cc2sccc2Br)CC1 ZINC000295247700 531549068 /nfs/dbraw/zinc/54/90/68/531549068.db2.gz GOVUFQPFHKVLTI-UHFFFAOYSA-N 1 0 388.331 1.676 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659690917 531553623 /nfs/dbraw/zinc/55/36/23/531553623.db2.gz JXSOCOUYTSOUDI-RISCZKNCSA-N 1 0 398.301 1.660 20 0 GDADRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000558149081 531550086 /nfs/dbraw/zinc/55/00/86/531550086.db2.gz VZVZRWPHGJCAPI-LBPRGKRZSA-N 1 0 391.921 1.622 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC1 ZINC000415885881 531550215 /nfs/dbraw/zinc/55/02/15/531550215.db2.gz IOOFOEPTYZVJRA-UHFFFAOYSA-N 1 0 390.665 1.353 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000364276262 531551395 /nfs/dbraw/zinc/55/13/95/531551395.db2.gz ZUCBEJBIRCTKBI-GXTWGEPZSA-N 1 0 387.889 1.440 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000280890723 531551971 /nfs/dbraw/zinc/55/19/71/531551971.db2.gz NTTAJDWKOHPKCA-KMUNFCNLSA-N 1 0 395.301 1.757 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659687791 531552672 /nfs/dbraw/zinc/55/26/72/531552672.db2.gz NEAQCMKCIHLTDR-ABAIWWIYSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659686983 531552717 /nfs/dbraw/zinc/55/27/17/531552717.db2.gz AWTPQYUJMZLJHH-UHFFFAOYSA-N 1 0 386.279 1.494 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000415794087 531533339 /nfs/dbraw/zinc/53/33/39/531533339.db2.gz VNOIPURDPIAHLU-JTQLQIEISA-N 1 0 384.267 2.280 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])nn1-c1ccc(Cl)c(Cl)c1 ZINC000415793418 531533360 /nfs/dbraw/zinc/53/33/60/531533360.db2.gz UPCIJWXPPGLCFY-VHSXEESVSA-N 1 0 384.267 2.278 20 0 GDADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000280740348 531533665 /nfs/dbraw/zinc/53/36/65/531533665.db2.gz OIXIBUQESULTDM-CYBMUJFWSA-N 1 0 387.933 1.847 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415801523 531533703 /nfs/dbraw/zinc/53/37/03/531533703.db2.gz GNDRBUJDUYXDTH-DTWKUNHWSA-N 1 0 375.210 1.390 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC12CCOCC2 ZINC000415812146 531535791 /nfs/dbraw/zinc/53/57/91/531535791.db2.gz AONSXPATCUQXBT-LBPRGKRZSA-N 1 0 396.285 1.602 20 0 GDADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000415815918 531536286 /nfs/dbraw/zinc/53/62/86/531536286.db2.gz MPOJFDXZBDHGTQ-ABAIWWIYSA-N 1 0 396.285 1.995 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000636095258 531536371 /nfs/dbraw/zinc/53/63/71/531536371.db2.gz FNTFRXRXBMINBD-QLFBSQMISA-N 1 0 383.539 1.644 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000659718146 531557597 /nfs/dbraw/zinc/55/75/97/531557597.db2.gz NYHWTVZRKUMXDG-CQSZACIVSA-N 1 0 385.295 1.496 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NC1CCC([NH3+])CC1)C2 ZINC000659713347 531557752 /nfs/dbraw/zinc/55/77/52/531557752.db2.gz ICNBHYQUIMDTAW-UHFFFAOYSA-N 1 0 380.286 1.986 20 0 GDADRO C[C@@]1(NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]C1 ZINC000612902605 531559274 /nfs/dbraw/zinc/55/92/74/531559274.db2.gz CJAXRIKBMXMRTH-XJKSGUPXSA-N 1 0 381.274 1.606 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000268725295 531561757 /nfs/dbraw/zinc/56/17/57/531561757.db2.gz ALIUGIICRJCNIY-LSDHHAIUSA-N 1 0 388.555 1.802 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000558467805 531562337 /nfs/dbraw/zinc/56/23/37/531562337.db2.gz WAAWCDGQTJHJMC-OAHLLOKOSA-N 1 0 391.896 1.846 20 0 GDADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCNS(C)(=O)=O ZINC000268745708 531563349 /nfs/dbraw/zinc/56/33/49/531563349.db2.gz HRFKCPFEGKSGLV-ZDUSSCGKSA-N 1 0 375.922 1.606 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(Br)ccc2-n2cnnn2)[C@@H](C)C[N@@H+]1C ZINC000613192749 531563574 /nfs/dbraw/zinc/56/35/74/531563574.db2.gz YICCVNHWZYGQBH-MNOVXSKESA-N 1 0 379.262 1.589 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000583145467 531566353 /nfs/dbraw/zinc/56/63/53/531566353.db2.gz HLGSTKGUKJOIJJ-CYBMUJFWSA-N 1 0 380.297 1.467 20 0 GDADRO C[NH+](C)C1(C(=O)NCc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000612667479 531553972 /nfs/dbraw/zinc/55/39/72/531553972.db2.gz WTKZYERXZKSJRD-UHFFFAOYSA-N 1 0 382.302 1.996 20 0 GDADRO [NH3+]CC[C@H](NC(=O)NCC(=O)Nc1cccc(Br)c1)C(F)(F)F ZINC000416022043 531554222 /nfs/dbraw/zinc/55/42/22/531554222.db2.gz DKAAPKVHYVFJTA-JTQLQIEISA-N 1 0 397.195 1.967 20 0 GDADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000659708933 531554779 /nfs/dbraw/zinc/55/47/79/531554779.db2.gz CIBZOYOEBAYKPD-UHFFFAOYSA-N 1 0 385.295 1.510 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNc1ncnc2cccc(I)c21 ZINC000558611415 531572256 /nfs/dbraw/zinc/57/22/56/531572256.db2.gz IHSNSUPQIKTMOB-LLVKDONJSA-N 1 0 397.264 1.892 20 0 GDADRO C[C@@H](CNS(=O)(=O)Cc1c(F)cccc1Cl)CN1CC[NH+](C)CC1 ZINC000451242609 531575595 /nfs/dbraw/zinc/57/55/95/531575595.db2.gz JAOLDEANTDSBFF-ZDUSSCGKSA-N 1 0 377.913 1.782 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cnc1C(F)F ZINC000451244433 531576276 /nfs/dbraw/zinc/57/62/76/531576276.db2.gz MZIFWPVWBUVCQE-SNVBAGLBSA-N 1 0 379.429 1.814 20 0 GDADRO COC[C@H](C)OC[C@@H](O)C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295424958 531576345 /nfs/dbraw/zinc/57/63/45/531576345.db2.gz VITQAJIQOPYEEO-HEHGZKQESA-N 1 0 376.291 1.827 20 0 GDADRO C[NH+]1CCC(CCNC(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000583482904 531577484 /nfs/dbraw/zinc/57/74/84/531577484.db2.gz CFKWGGBPOHEMEB-UHFFFAOYSA-N 1 0 385.306 1.642 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364567096 531578453 /nfs/dbraw/zinc/57/84/53/531578453.db2.gz ZBOFZSRMYMTCJW-HZMBPMFUSA-N 1 0 378.372 1.927 20 0 GDADRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000583496509 531578622 /nfs/dbraw/zinc/57/86/22/531578622.db2.gz SKMUJMRSKJEEKU-GFCCVEGCSA-N 1 0 387.267 1.259 20 0 GDADRO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000451272496 531579369 /nfs/dbraw/zinc/57/93/69/531579369.db2.gz CADOGTCXERQYOJ-PBHICJAKSA-N 1 0 397.313 1.804 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](C[C@@H]3CCSC3)CC2)cc1 ZINC000555595417 531583491 /nfs/dbraw/zinc/58/34/91/531583491.db2.gz DBNAYMOJRNFETG-KRWDZBQOSA-N 1 0 383.583 1.644 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000281136057 531584193 /nfs/dbraw/zinc/58/41/93/531584193.db2.gz NWAIQEZPBTZOCV-UHFFFAOYSA-N 1 0 392.301 1.816 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(Cl)s1 ZINC000281133980 531584407 /nfs/dbraw/zinc/58/44/07/531584407.db2.gz UJEBFNVXPBFHFV-GQCTYLIASA-N 1 0 385.917 1.664 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CCC)C2)cc1 ZINC000660026673 531587092 /nfs/dbraw/zinc/58/70/92/531587092.db2.gz IQQJMJNWJKZUAE-CQSZACIVSA-N 1 0 389.543 1.138 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000583694830 531590276 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SSCBPAMZEICRJC-UHFFFAOYSA-N 1 0 381.274 1.374 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000638941918 531678274 /nfs/dbraw/zinc/67/82/74/531678274.db2.gz QIBCSWBXOILLAP-ZYHUDNBSSA-N 1 0 390.303 1.066 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639019484 531680117 /nfs/dbraw/zinc/68/01/17/531680117.db2.gz BBPBWCVEEQLIJV-WDEREUQCSA-N 1 0 377.919 1.280 20 0 GDADRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000662439868 531680540 /nfs/dbraw/zinc/68/05/40/531680540.db2.gz QNCJLIGYIJEUJF-OAHLLOKOSA-N 1 0 385.917 1.561 20 0 GDADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662518791 531681883 /nfs/dbraw/zinc/68/18/83/531681883.db2.gz UWICJBVYUARYPH-ZDUSSCGKSA-N 1 0 396.285 1.340 20 0 GDADRO COc1nsc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1Br ZINC000639139145 531683049 /nfs/dbraw/zinc/68/30/49/531683049.db2.gz GXELSPVNRYAXEZ-RKDXNWHRSA-N 1 0 398.348 1.722 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000269505696 531683239 /nfs/dbraw/zinc/68/32/39/531683239.db2.gz RJUBGTXAVIPAGE-LBPRGKRZSA-N 1 0 375.516 1.625 20 0 GDADRO CC[N@@H+]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)[C@@H](C)C1 ZINC000561148720 531683689 /nfs/dbraw/zinc/68/36/89/531683689.db2.gz ODSNUIDEWKPEJV-LBPRGKRZSA-N 1 0 393.285 1.712 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[NH2+]CCC3(C)C)CC2)c(C)s1 ZINC000662543986 531684465 /nfs/dbraw/zinc/68/44/65/531684465.db2.gz XLLWUZDNKHKDLI-HNNXBMFYSA-N 1 0 385.555 1.586 20 0 GDADRO O=C(c1cc(Br)ccc1-n1cnnn1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662522555 531685324 /nfs/dbraw/zinc/68/53/24/531685324.db2.gz ZZYOTQRRUPSCKD-ZWNOBZJWSA-N 1 0 377.246 1.249 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000590279914 531685716 /nfs/dbraw/zinc/68/57/16/531685716.db2.gz DYZWDRZYCIFVGZ-GWCFXTLKSA-N 1 0 399.232 1.392 20 0 GDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000618363838 531686233 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377.304 1.583 20 0 GDADRO COc1cc(C[NH2+]C[C@](C)(O)CO)cc(I)c1OC ZINC000619464334 531704319 /nfs/dbraw/zinc/70/43/19/531704319.db2.gz SVRSXPQTEGKSND-ZDUSSCGKSA-N 1 0 381.210 1.141 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000591108441 531705699 /nfs/dbraw/zinc/70/56/99/531705699.db2.gz CCUZRMYMSKTPKX-UHFFFAOYSA-N 1 0 379.507 1.921 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000662988134 531706051 /nfs/dbraw/zinc/70/60/51/531706051.db2.gz QAMBAIUIPNDLGO-OCCSQVGLSA-N 1 0 382.302 1.993 20 0 GDADRO NC(=O)c1c(F)cc(Br)cc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664599234 531725499 /nfs/dbraw/zinc/72/54/99/531725499.db2.gz LTORIBHHGWECAE-LBPRGKRZSA-N 1 0 386.265 1.723 20 0 GDADRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc(I)cc32)[C@@H](C)C[NH2+]1 ZINC000505845444 531728683 /nfs/dbraw/zinc/72/86/83/531728683.db2.gz MQUPYETWKAZICS-BDAKNGLRSA-N 1 0 384.221 1.990 20 0 GDADRO CC[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000620282401 531728990 /nfs/dbraw/zinc/72/89/90/531728990.db2.gz LKBOECNKBZQNDR-UHFFFAOYSA-N 1 0 375.441 1.234 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000505845445 531729568 /nfs/dbraw/zinc/72/95/68/531729568.db2.gz MQUPYETWKAZICS-DTWKUNHWSA-N 1 0 384.221 1.990 20 0 GDADRO C[C@]12C[NH+](C[C@@H](O)COc3ccc(Br)cc3)C[C@]1(C)C(=O)NC2=O ZINC000639951492 531713115 /nfs/dbraw/zinc/71/31/15/531713115.db2.gz NGJASEKGCIAYKT-CSMYWGQOSA-N 1 0 397.269 1.173 20 0 GDADRO Cc1c(C(=O)N2CCOC3(C[NH2+]C3)C2)cnn1-c1cccc(Br)c1 ZINC000663489908 531714551 /nfs/dbraw/zinc/71/45/51/531714551.db2.gz LLAMIULUYFZYHM-UHFFFAOYSA-N 1 0 391.269 1.758 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(c3nnc4ccc(Br)cn43)CC2)C1 ZINC000663615554 531716318 /nfs/dbraw/zinc/71/63/18/531716318.db2.gz LCWGYZWPACKLEP-CQSZACIVSA-N 1 0 379.306 1.708 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000505357747 531717404 /nfs/dbraw/zinc/71/74/04/531717404.db2.gz OQZZJEFRRAAEAJ-UHFFFAOYSA-N 1 0 385.555 1.994 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)c1cc(I)ccc1F ZINC000296777942 531722601 /nfs/dbraw/zinc/72/26/01/531722601.db2.gz CQOCZLDCLVYHQT-UHFFFAOYSA-N 1 0 392.212 1.617 20 0 GDADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccs2)C[C@@H](C)C1 ZINC000561762900 531722705 /nfs/dbraw/zinc/72/27/05/531722705.db2.gz YSCWFIXYLBMCDH-KKUMJFAQSA-N 1 0 385.555 1.605 20 0 GDADRO Cc1cc(F)ccc1S(=O)(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000562125064 531736285 /nfs/dbraw/zinc/73/62/85/531736285.db2.gz RLGBPPUQCDBZAE-HNNXBMFYSA-N 1 0 392.518 1.264 20 0 GDADRO CN(Cc1nccn1C)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000665558542 531736750 /nfs/dbraw/zinc/73/67/50/531736750.db2.gz BWGYUGXWFGEVAM-UHFFFAOYSA-N 1 0 395.261 1.149 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000269769651 531749717 /nfs/dbraw/zinc/74/97/17/531749717.db2.gz BNVLQULMNLNDBI-MGPQQGTHSA-N 1 0 389.543 1.055 20 0 GDADRO CC[C@@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C[C@H](C)[NH2+]1 ZINC000620905907 531738008 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531835184 /nfs/dbraw/zinc/83/51/84/531835184.db2.gz AHECKCJSWNMYIS-AWEZNQCLSA-N 1 0 385.555 1.068 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3Cl)C2)CC1 ZINC000270168368 531836474 /nfs/dbraw/zinc/83/64/74/531836474.db2.gz UXIBUDAZNOIQPM-ZDUSSCGKSA-N 1 0 385.917 1.791 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000418764394 531838055 /nfs/dbraw/zinc/83/80/55/531838055.db2.gz AFLIOFHTFVZTLV-WCQYABFASA-N 1 0 398.301 1.517 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000624367358 531839559 /nfs/dbraw/zinc/83/95/59/531839559.db2.gz SEJJBWKKVQQHFC-VXGBXAGGSA-N 1 0 380.436 1.839 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000624370357 531840006 /nfs/dbraw/zinc/84/00/06/531840006.db2.gz HVFNHPQLZPSXSN-CHWSQXEVSA-N 1 0 375.441 1.878 20 0 GDADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670393879 531830608 /nfs/dbraw/zinc/83/06/08/531830608.db2.gz LIXOITIIQIAQNK-CYBMUJFWSA-N 1 0 384.274 1.877 20 0 GDADRO O=C(COc1ccc(Br)cc1F)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670407477 531830798 /nfs/dbraw/zinc/83/07/98/531830798.db2.gz SMIWLEBPEVTGEV-CYBMUJFWSA-N 1 0 386.265 1.473 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000418575646 531831406 /nfs/dbraw/zinc/83/14/06/531831406.db2.gz WVSNLATXTSVTBR-LBPRGKRZSA-N 1 0 399.289 1.029 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418591860 531831867 /nfs/dbraw/zinc/83/18/67/531831867.db2.gz KTQUCIYQOPFYJJ-XPKDYRNWSA-N 1 0 384.318 1.897 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C[C@@H](C)[NH2+]1 ZINC000418836304 531849108 /nfs/dbraw/zinc/84/91/08/531849108.db2.gz UNYMGEHAGYUMCN-UQFNBPPOSA-N 1 0 380.286 1.630 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000418835943 531849413 /nfs/dbraw/zinc/84/94/13/531849413.db2.gz QKLCHHHKLMUBEU-SHPPOPEUSA-N 1 0 394.313 1.865 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418834689 531849765 /nfs/dbraw/zinc/84/97/65/531849765.db2.gz RRPOXEMBDPHHFN-OSAQELSMSA-N 1 0 380.286 1.537 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418839863 531850664 /nfs/dbraw/zinc/85/06/64/531850664.db2.gz DFLLRDBPXPSMLV-AWEZNQCLSA-N 1 0 395.301 1.689 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC[C@H]1[NH3+] ZINC000418839516 531850682 /nfs/dbraw/zinc/85/06/82/531850682.db2.gz ZHMIPLQNSBEGRA-DZGBDDFRSA-N 1 0 380.286 1.617 20 0 GDADRO C[NH+](C)CCCN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000298105535 531852045 /nfs/dbraw/zinc/85/20/45/531852045.db2.gz TWAFZTAVWGGULX-ZDUSSCGKSA-N 1 0 390.908 1.989 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](CO)CCOC ZINC000641764908 531852271 /nfs/dbraw/zinc/85/22/71/531852271.db2.gz NZQHHCJUBOIVIP-RISCZKNCSA-N 1 0 389.290 1.449 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Br)n1 ZINC000367670772 531853380 /nfs/dbraw/zinc/85/33/80/531853380.db2.gz HEDQKNMZMTWFRH-NEPJUHHUSA-N 1 0 397.273 1.070 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000563585847 531855157 /nfs/dbraw/zinc/85/51/57/531855157.db2.gz QIVRTCOEUWYLMJ-CQSZACIVSA-N 1 0 386.543 1.058 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000624389584 531840558 /nfs/dbraw/zinc/84/05/58/531840558.db2.gz DVDPYHLRCDEFTI-ZYHUDNBSSA-N 1 0 399.460 1.532 20 0 GDADRO COc1ccc(OC)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000624390134 531841206 /nfs/dbraw/zinc/84/12/06/531841206.db2.gz VUWJPQAAIKQNCG-JQWIXIFHSA-N 1 0 382.404 1.852 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H](CCO)c1ccccc1Br ZINC000418800047 531841251 /nfs/dbraw/zinc/84/12/51/531841251.db2.gz WPGYSFHYHQMQHZ-SWLSCSKDSA-N 1 0 386.290 1.550 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C(N)=O ZINC000624390751 531841437 /nfs/dbraw/zinc/84/14/37/531841437.db2.gz HXMNFMSTKUQCST-ZWNOBZJWSA-N 1 0 379.404 1.242 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000624398894 531842591 /nfs/dbraw/zinc/84/25/91/531842591.db2.gz WYHIGSSUCKMUTN-UHFFFAOYSA-N 1 0 385.711 1.959 20 0 GDADRO [NH3+]CC1(NS(=O)(=O)Cc2cc(F)ccc2Br)CCOCC1 ZINC000624402172 531843131 /nfs/dbraw/zinc/84/31/31/531843131.db2.gz LETZWUYMEOELOP-UHFFFAOYSA-N 1 0 381.267 1.516 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(F)cc1Br ZINC000418808064 531843271 /nfs/dbraw/zinc/84/32/71/531843271.db2.gz DSZDSZOIBJWTKI-YGRLFVJLSA-N 1 0 386.265 1.838 20 0 GDADRO CN(CCOCC[NH3+])S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000624409030 531844753 /nfs/dbraw/zinc/84/47/53/531844753.db2.gz NOHVCGOXQQBNBK-UHFFFAOYSA-N 1 0 376.784 1.834 20 0 GDADRO C[C@@H]1CC[C@H](NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)C[NH2+]1 ZINC000624406149 531844780 /nfs/dbraw/zinc/84/47/80/531844780.db2.gz WBUBYVXZNBITFM-SFYZADRCSA-N 1 0 389.275 1.450 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2Br)[C@H]1C[NH3+] ZINC000418810949 531845213 /nfs/dbraw/zinc/84/52/13/531845213.db2.gz HOQPFYCYFLLQOI-YGRLFVJLSA-N 1 0 386.265 1.790 20 0 GDADRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C[NH2+]1 ZINC000624406561 531845344 /nfs/dbraw/zinc/84/53/44/531845344.db2.gz GDBIGRCXVSVXKA-ZYHUDNBSSA-N 1 0 379.404 1.398 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000563446780 531845709 /nfs/dbraw/zinc/84/57/09/531845709.db2.gz XEXXLTMHUWCSQQ-GZMMTYOYSA-N 1 0 381.267 1.873 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418823728 531846194 /nfs/dbraw/zinc/84/61/94/531846194.db2.gz IPUNIZADZHKGMC-UEEZHKSASA-N 1 0 380.286 1.678 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000418822066 531846251 /nfs/dbraw/zinc/84/62/51/531846251.db2.gz AALVTEUQVOQOAW-LSDHHAIUSA-N 1 0 380.286 1.619 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C[C@H]1[NH3+] ZINC000418829035 531847938 /nfs/dbraw/zinc/84/79/38/531847938.db2.gz NALLVVHCVOWXSI-AVNXNWIJSA-N 1 0 398.276 1.756 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1cc(F)c(Cl)cc1Cl ZINC000418828292 531848170 /nfs/dbraw/zinc/84/81/70/531848170.db2.gz CVNCWIHLYWPIGJ-UWVGGRQHSA-N 1 0 392.258 1.804 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000418933008 531865788 /nfs/dbraw/zinc/86/57/88/531865788.db2.gz IGJFYVBFHOKMEC-OAHLLOKOSA-N 1 0 394.313 1.807 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000418931932 531866005 /nfs/dbraw/zinc/86/60/05/531866005.db2.gz GUYHJXPNTHNFMR-CQSZACIVSA-N 1 0 380.286 1.547 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418934111 531866040 /nfs/dbraw/zinc/86/60/40/531866040.db2.gz BKNUSAFEWZEXKV-ZFWWWQNUSA-N 1 0 380.286 1.892 20 0 GDADRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000367700471 531856578 /nfs/dbraw/zinc/85/65/78/531856578.db2.gz CCBONHQLGZXTQA-CYBMUJFWSA-N 1 0 382.302 1.983 20 0 GDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000454567810 531856825 /nfs/dbraw/zinc/85/68/25/531856825.db2.gz BUQDSDJMIGBNCU-ZDUSSCGKSA-N 1 0 385.306 1.642 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000563612254 531857020 /nfs/dbraw/zinc/85/70/20/531857020.db2.gz NXYNLNWSIZQSJS-UHFFFAOYSA-N 1 0 395.301 1.705 20 0 GDADRO C[NH+](C)C1(CNC(=O)CSc2nnnn2CC(F)(F)F)CCCCC1 ZINC000624790235 531857436 /nfs/dbraw/zinc/85/74/36/531857436.db2.gz ILIVMMBRVDUUAO-UHFFFAOYSA-N 1 0 380.440 1.708 20 0 GDADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000563666416 531859788 /nfs/dbraw/zinc/85/97/88/531859788.db2.gz KZJVXVCDKIIRBP-VBQJREDUSA-N 1 0 386.539 1.657 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCCc2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000642506513 531859987 /nfs/dbraw/zinc/85/99/87/531859987.db2.gz SXEQOBJTTUVMSD-JQWIXIFHSA-N 1 0 388.331 1.755 20 0 GDADRO COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1Br ZINC000642741234 531863281 /nfs/dbraw/zinc/86/32/81/531863281.db2.gz ZCNHGQZAFZPTDD-LBPRGKRZSA-N 1 0 384.274 1.332 20 0 GDADRO CSC1(CNC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)CC[NH+](C)CC1 ZINC000563846882 531865687 /nfs/dbraw/zinc/86/56/87/531865687.db2.gz VSOJOOYKEIBTQK-LSDHHAIUSA-N 1 0 389.587 1.565 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCOc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000418946706 531870400 /nfs/dbraw/zinc/87/04/00/531870400.db2.gz LULOALJNIRJQJP-QWHCGFSZSA-N 1 0 398.301 1.448 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000418948081 531870585 /nfs/dbraw/zinc/87/05/85/531870585.db2.gz MNHXABHHRDATID-GFCCVEGCSA-N 1 0 398.301 1.530 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCCn1cc(Br)cn1 ZINC000418947991 531870818 /nfs/dbraw/zinc/87/08/18/531870818.db2.gz BQYZXEBOPHJCDH-CYBMUJFWSA-N 1 0 388.310 1.032 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000418950618 531870831 /nfs/dbraw/zinc/87/08/31/531870831.db2.gz WNKGZPDVAQWLFD-PIMMBPRGSA-N 1 0 380.286 1.939 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000283515842 531871016 /nfs/dbraw/zinc/87/10/16/531871016.db2.gz WIHJHOGWFQYISZ-NSHDSACASA-N 1 0 377.304 1.727 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(I)cc1F ZINC000595239754 531871254 /nfs/dbraw/zinc/87/12/54/531871254.db2.gz YYJJIZUFWYLGMI-SSDOTTSWSA-N 1 0 379.173 1.174 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(F)cc1I ZINC000595240997 531871855 /nfs/dbraw/zinc/87/18/55/531871855.db2.gz ZKOMLCFLOMPMNE-UHFFFAOYSA-N 1 0 393.200 1.565 20 0 GDADRO O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418952464 531872457 /nfs/dbraw/zinc/87/24/57/531872457.db2.gz VLKAPBODJVLKJK-CABCVRRESA-N 1 0 380.286 1.885 20 0 GDADRO COc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000564967442 531872772 /nfs/dbraw/zinc/87/27/72/531872772.db2.gz ZQPANCCZFJKJPJ-LLVKDONJSA-N 1 0 385.230 1.733 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)C[C@@H]1[NH3+] ZINC000418967222 531874562 /nfs/dbraw/zinc/87/45/62/531874562.db2.gz OUVKZQSUMWWDJE-RNCFNFMXSA-N 1 0 383.279 1.939 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)C[C@@H]1[NH+]1CCCC1 ZINC000595335486 531875120 /nfs/dbraw/zinc/87/51/20/531875120.db2.gz YIARLEBKVDFLGR-GVDBMIGSSA-N 1 0 392.587 1.412 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418977403 531875556 /nfs/dbraw/zinc/87/55/56/531875556.db2.gz UIIRJLDVXXZOEG-SNVBAGLBSA-N 1 0 396.289 1.431 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cccc(Br)c3)C[C@@H]21 ZINC000418996404 531877077 /nfs/dbraw/zinc/87/70/77/531877077.db2.gz SQZINVZENAQNPU-VNQPRFMTSA-N 1 0 394.313 1.694 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)cc1Br ZINC000419001331 531877521 /nfs/dbraw/zinc/87/75/21/531877521.db2.gz APKYKCTUNDDKFI-NWDGAFQWSA-N 1 0 398.301 1.751 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)ccc1Br ZINC000418996890 531877562 /nfs/dbraw/zinc/87/75/62/531877562.db2.gz TWRGBNNGPUXJTM-CYBMUJFWSA-N 1 0 382.302 1.961 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000298338307 531878249 /nfs/dbraw/zinc/87/82/49/531878249.db2.gz QDBVCJVRFGZNIS-ZDUSSCGKSA-N 1 0 399.333 1.546 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1Br ZINC000419003973 531879125 /nfs/dbraw/zinc/87/91/25/531879125.db2.gz DTYRYIDNUWRZES-ZYHUDNBSSA-N 1 0 384.274 1.585 20 0 GDADRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1Br ZINC000625113926 531880189 /nfs/dbraw/zinc/88/01/89/531880189.db2.gz RVLKNSMUFFXANR-ZDUSSCGKSA-N 1 0 398.301 1.775 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1Br ZINC000419010785 531880537 /nfs/dbraw/zinc/88/05/37/531880537.db2.gz QXPLJIJFRYCZPT-NSHDSACASA-N 1 0 398.301 1.845 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000419012263 531880573 /nfs/dbraw/zinc/88/05/73/531880573.db2.gz VOMPPUZPYZYRIU-MDZLAQPJSA-N 1 0 398.301 1.892 20 0 GDADRO CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(I)c2)CC[NH2+]1 ZINC000595411953 531880642 /nfs/dbraw/zinc/88/06/42/531880642.db2.gz JLVGBAAUAAIRPG-ZDUSSCGKSA-N 1 0 394.278 1.910 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000566100213 531880873 /nfs/dbraw/zinc/88/08/73/531880873.db2.gz HDFNERXJRADWND-AOOOYVTPSA-N 1 0 389.315 1.983 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cs1 ZINC000595405125 531881707 /nfs/dbraw/zinc/88/17/07/531881707.db2.gz TWEATLAIDBGBFN-LBPRGKRZSA-N 1 0 376.500 1.266 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)[NH+](C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000298365439 531881956 /nfs/dbraw/zinc/88/19/56/531881956.db2.gz SBIIXALFBGMKPL-VHSXEESVSA-N 1 0 382.258 1.500 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000419020361 531882112 /nfs/dbraw/zinc/88/21/12/531882112.db2.gz KOCYDWHGVGVHFD-OLZOCXBDSA-N 1 0 382.258 1.242 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000419018661 531882115 /nfs/dbraw/zinc/88/21/15/531882115.db2.gz HWODMXOREZVOPJ-AWEZNQCLSA-N 1 0 396.285 1.599 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000673609640 531882230 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C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000419053075 531892136 /nfs/dbraw/zinc/89/21/36/531892136.db2.gz IUWPUZYRPYZJDM-BXKDBHETSA-N 1 0 387.267 1.068 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419052779 531892890 /nfs/dbraw/zinc/89/28/90/531892890.db2.gz IIEXZUVNHSPWMN-SKDRFNHKSA-N 1 0 388.693 1.833 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419052777 531892919 /nfs/dbraw/zinc/89/29/19/531892919.db2.gz IIEXZUVNHSPWMN-CABZTGNLSA-N 1 0 388.693 1.833 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC000419052413 531892959 /nfs/dbraw/zinc/89/29/59/531892959.db2.gz HUCNYHSVHWAKKL-JQWIXIFHSA-N 1 0 386.265 1.456 20 0 GDADRO [NH3+]C1(CC(=O)NC[C@@H](O)COc2ccc(I)cc2)CC1 ZINC000595933448 531894093 /nfs/dbraw/zinc/89/40/93/531894093.db2.gz UOQGREAUKRDURN-LLVKDONJSA-N 1 0 390.221 1.029 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419056352 531895211 /nfs/dbraw/zinc/89/52/11/531895211.db2.gz QUTSVRRRBVCATI-OCCSQVGLSA-N 1 0 384.318 1.858 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419058195 531895232 /nfs/dbraw/zinc/89/52/32/531895232.db2.gz VXEYZJYUTAFPGB-GFCCVEGCSA-N 1 0 382.302 1.707 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)c2n[nH]c3ccc(I)cc32)CC[C@H]1F ZINC000595948297 531895399 /nfs/dbraw/zinc/89/53/99/531895399.db2.gz QHLKSBWVEMYENR-NXEZZACHSA-N 1 0 388.184 1.679 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368126208 531895634 /nfs/dbraw/zinc/89/56/34/531895634.db2.gz PXQQYWDWWVNOGK-QLFBSQMISA-N 1 0 397.313 1.941 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000647710306 531895768 /nfs/dbraw/zinc/89/57/68/531895768.db2.gz XZXOMTLGWUBTJE-OAHLLOKOSA-N 1 0 385.302 1.536 20 0 GDADRO O=S1(=O)C[C@@H]([NH2+]CCCSCc2ccccc2)[C@H](N2CCOCC2)C1 ZINC000270575979 531895853 /nfs/dbraw/zinc/89/58/53/531895853.db2.gz PICSUOXVUJCARI-QZTJIDSGSA-N 1 0 384.567 1.397 20 0 GDADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]CCCSCc2ccccc2)C1 ZINC000270575977 531896547 /nfs/dbraw/zinc/89/65/47/531896547.db2.gz PICSUOXVUJCARI-MSOLQXFVSA-N 1 0 384.567 1.397 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419063563 531896639 /nfs/dbraw/zinc/89/66/39/531896639.db2.gz GQGAFTIEKPPTEY-UHFFFAOYSA-N 1 0 388.693 1.977 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419077406 531897912 /nfs/dbraw/zinc/89/79/12/531897912.db2.gz JGXGIGJZQCDUOT-CQSZACIVSA-N 1 0 380.286 1.465 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(I)cn1 ZINC000455890202 531886157 /nfs/dbraw/zinc/88/61/57/531886157.db2.gz WWRQSEKDNOPSKC-GFCCVEGCSA-N 1 0 391.253 1.773 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000419038273 531886143 /nfs/dbraw/zinc/88/61/43/531886143.db2.gz FEFXJQOTQSPFIM-LPEHRKFASA-N 1 0 378.420 1.925 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419042150 531887368 /nfs/dbraw/zinc/88/73/68/531887368.db2.gz KXWYDVPHPOWAEJ-UWVGGRQHSA-N 1 0 378.420 1.927 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1nc(C(F)(F)F)cs1 ZINC000419039829 531887623 /nfs/dbraw/zinc/88/76/23/531887623.db2.gz HTWOSOODKRKXJH-BBBLOLIVSA-N 1 0 376.404 1.692 20 0 GDADRO COC(=O)CN(C)C(=O)CC[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595723351 531887699 /nfs/dbraw/zinc/88/76/99/531887699.db2.gz XGWJOJYHNZDKDS-UHFFFAOYSA-N 1 0 398.301 1.593 20 0 GDADRO CC[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1nc(C(F)(F)F)cs1 ZINC000419043854 531888579 /nfs/dbraw/zinc/88/85/79/531888579.db2.gz OGLMHBYVEYGJLC-ZJUUUORDSA-N 1 0 378.420 1.988 20 0 GDADRO O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000298446417 531888662 /nfs/dbraw/zinc/88/86/62/531888662.db2.gz XXTUSVFMPXVCRD-IRXDYDNUSA-N 1 0 382.551 1.688 20 0 GDADRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674048404 531888905 /nfs/dbraw/zinc/88/89/05/531888905.db2.gz NMRMBKFGPAPHCF-AWEZNQCLSA-N 1 0 389.543 1.013 20 0 GDADRO CS[C@@H]1CN(C(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)C[C@@H]1[NH+](C)C ZINC000270537793 531889523 /nfs/dbraw/zinc/88/95/23/531889523.db2.gz WSVCUYQXKWFFOP-RWMBFGLXSA-N 1 0 386.543 1.547 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419044425 531890168 /nfs/dbraw/zinc/89/01/68/531890168.db2.gz PVYCSCUFYYTHPH-AEJSXWLSSA-N 1 0 378.420 1.938 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419046007 531890271 /nfs/dbraw/zinc/89/02/71/531890271.db2.gz XBRTWIPEVQMNGV-UHFFFAOYSA-N 1 0 382.675 1.868 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)s2)cs1 ZINC000419082844 531899499 /nfs/dbraw/zinc/89/94/99/531899499.db2.gz QISAEDZXDREFAF-CYBMUJFWSA-N 1 0 380.539 1.938 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c(Br)c1 ZINC000596052766 531906093 /nfs/dbraw/zinc/90/60/93/531906093.db2.gz YCLSZSMIBFYGQM-CYBMUJFWSA-N 1 0 377.260 1.266 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419162382 531907121 /nfs/dbraw/zinc/90/71/21/531907121.db2.gz HDKGYWUPJKHZKI-CHWSQXEVSA-N 1 0 382.302 1.960 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000270673531 531907584 /nfs/dbraw/zinc/90/75/84/531907584.db2.gz GGSQDYWMNLDCNN-UHFFFAOYSA-N 1 0 377.869 1.683 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1Br ZINC000419163354 531907781 /nfs/dbraw/zinc/90/77/81/531907781.db2.gz JLDCISDEKQWXRH-OCCSQVGLSA-N 1 0 382.302 1.960 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)c1Br ZINC000419166804 531908214 /nfs/dbraw/zinc/90/82/14/531908214.db2.gz PRNKGPOTNSVGDD-YPMHNXCESA-N 1 0 398.301 1.603 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000648142838 531908887 /nfs/dbraw/zinc/90/88/87/531908887.db2.gz ARCBCOLKGJLUAK-UONOGXRCSA-N 1 0 385.555 1.850 20 0 GDADRO CS[C@@H]1CN(c2nc3cc(S(N)(=O)=O)ccc3[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000596196027 531911881 /nfs/dbraw/zinc/91/18/81/531911881.db2.gz RBBXVCSHJPTLKM-HUUCEWRRSA-N 1 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C[NH2+]CCC1CCN(C(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000419148942 531904213 /nfs/dbraw/zinc/90/42/13/531904213.db2.gz PAPDDHWTGANTKB-UHFFFAOYSA-N 1 0 382.302 1.913 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000419149206 531904328 /nfs/dbraw/zinc/90/43/28/531904328.db2.gz KSLBQNRWHQWCLH-FZMZJTMJSA-N 1 0 384.274 1.203 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000419144821 531904922 /nfs/dbraw/zinc/90/49/22/531904922.db2.gz KAHZVHWWWNSMBG-UHFFFAOYSA-N 1 0 382.302 1.913 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000568748745 531917385 /nfs/dbraw/zinc/91/73/85/531917385.db2.gz KBVAOWGSHDBQLH-UHFFFAOYSA-N 1 0 382.507 1.644 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000648918417 531918024 /nfs/dbraw/zinc/91/80/24/531918024.db2.gz UMJDNHRIBAJPMH-ZDUSSCGKSA-N 1 0 395.301 1.912 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21)C1CC1 ZINC000419254623 531918286 /nfs/dbraw/zinc/91/82/86/531918286.db2.gz VJCXQIFVWORCHM-VXGBXAGGSA-N 1 0 384.299 1.566 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000419256744 531918438 /nfs/dbraw/zinc/91/84/38/531918438.db2.gz HNELSWBIRGJCKD-QWHCGFSZSA-N 1 0 398.301 1.387 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)CC1 ZINC000419254661 531918513 /nfs/dbraw/zinc/91/85/13/531918513.db2.gz VKWAPVVDCVXOKK-LBPRGKRZSA-N 1 0 384.299 1.662 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COc1cccc(Br)c1 ZINC000649080814 531921005 /nfs/dbraw/zinc/92/10/05/531921005.db2.gz GFOAFQREJLWNRA-LBPRGKRZSA-N 1 0 384.274 1.406 20 0 GDADRO CCCN(C(=O)C(=O)NCCOc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000419265855 531921034 /nfs/dbraw/zinc/92/10/34/531921034.db2.gz ZOLZPFNOQDNWDJ-AWEZNQCLSA-N 1 0 398.301 1.545 20 0 GDADRO O=C(NCc1csc(Br)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419278648 531921052 /nfs/dbraw/zinc/92/10/52/531921052.db2.gz IAQVSARMIJEBMK-GRYCIOLGSA-N 1 0 386.315 1.631 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COc1cccc(Br)c1 ZINC000649080813 531921315 /nfs/dbraw/zinc/92/13/15/531921315.db2.gz GFOAFQREJLWNRA-GFCCVEGCSA-N 1 0 384.274 1.406 20 0 GDADRO COCCN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000569474443 531922189 /nfs/dbraw/zinc/92/21/89/531922189.db2.gz FKXFGLDUQCHCHH-HZPDHXFCSA-N 1 0 387.318 1.889 20 0 GDADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649346688 531925873 /nfs/dbraw/zinc/92/58/73/531925873.db2.gz ANENIWYNKOLFES-FVQHAEBGSA-N 1 0 378.314 1.995 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(Br)cc1OC ZINC000419349860 531926354 /nfs/dbraw/zinc/92/63/54/531926354.db2.gz DVTPPBVRNYQRFX-CQSZACIVSA-N 1 0 398.301 1.674 20 0 GDADRO NC(=O)c1cn(C2CC[NH+](CCOc3ccc(Br)cc3)CC2)nn1 ZINC000625804113 531915148 /nfs/dbraw/zinc/91/51/48/531915148.db2.gz QYLNKCIRWKBLQU-UHFFFAOYSA-N 1 0 394.273 1.855 20 0 GDADRO CC[N@@H+]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[C@H]1C ZINC000677181518 531915217 /nfs/dbraw/zinc/91/52/17/531915217.db2.gz ANUJYFGZGIRNMY-LLVKDONJSA-N 1 0 394.269 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531933470 /nfs/dbraw/zinc/93/34/70/531933470.db2.gz NVMHKPUWXAWLOL-GWCFXTLKSA-N 1 0 384.274 1.188 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC000419480768 531934384 /nfs/dbraw/zinc/93/43/84/531934384.db2.gz QOONQEUGMCZOQE-GHMZBOCLSA-N 1 0 388.281 1.607 20 0 GDADRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@@H]1O ZINC000270874399 531935995 /nfs/dbraw/zinc/93/59/95/531935995.db2.gz JNFOPXVKTOHXTJ-DOMZBBRYSA-N 1 0 387.311 1.740 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000419558335 531936270 /nfs/dbraw/zinc/93/62/70/531936270.db2.gz MNLPVQWNVXXUTM-QMMMGPOBSA-N 1 0 382.770 1.054 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(Br)s2)CC[N@@H+]1C ZINC000570304521 531936687 /nfs/dbraw/zinc/93/66/87/531936687.db2.gz FDJBDIJPTGUCKK-MNOVXSKESA-N 1 0 388.331 1.768 20 0 GDADRO CN1CC[NH+](C[C@@H](O)Cn2cc(Br)c(-c3ccc(F)cn3)n2)CC1 ZINC000570301083 531937295 /nfs/dbraw/zinc/93/72/95/531937295.db2.gz YKDFIJOPLCRCKS-CYBMUJFWSA-N 1 0 398.280 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398.301 1.528 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)Oc1ccccc1Br ZINC000419626514 531945285 /nfs/dbraw/zinc/94/52/85/531945285.db2.gz XEXZVCWMFMUSBU-RYUDHWBXSA-N 1 0 384.274 1.201 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000570962286 531945764 /nfs/dbraw/zinc/94/57/64/531945764.db2.gz SIQPDAHDQOPJOG-CQSZACIVSA-N 1 0 398.301 1.375 20 0 GDADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000627179919 531945831 /nfs/dbraw/zinc/94/58/31/531945831.db2.gz QHUMZCWERUCOGV-SSDOTTSWSA-N 1 0 396.644 1.219 20 0 GDADRO CC1(C)CCC[N@@H+]1CCNC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000457071281 531945858 /nfs/dbraw/zinc/94/58/58/531945858.db2.gz HTXJTCGYBWDQEN-UHFFFAOYSA-N 1 0 380.539 1.980 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)N(CCO)Cc1cc(Br)cs1 ZINC000627188646 531945905 /nfs/dbraw/zinc/94/59/05/531945905.db2.gz XAJMSXRFWNRRSE-LLVKDONJSA-N 1 0 378.292 1.003 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)[C@@H]1CC[NH3+] ZINC000652378042 531946329 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C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000419591029 531939804 /nfs/dbraw/zinc/93/98/04/531939804.db2.gz SZLOWXDNSODIEP-YOEHRIQHSA-N 1 0 380.286 1.750 20 0 GDADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)C(=O)NCc3ccc(Cl)s3)CC2)C1 ZINC000419698339 531957113 /nfs/dbraw/zinc/95/71/13/531957113.db2.gz YTQMVRIMYWMLKC-GXTWGEPZSA-N 1 0 385.917 1.763 20 0 GDADRO C[N@@H+]1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C(C)(C)C1 ZINC000271034238 531957853 /nfs/dbraw/zinc/95/78/53/531957853.db2.gz LJNWLVHEEDTJLZ-UHFFFAOYSA-N 1 0 375.441 1.647 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419700586 531959641 /nfs/dbraw/zinc/95/96/41/531959641.db2.gz XRZFYYJDJHJKQX-NSHDSACASA-N 1 0 388.295 1.573 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)CC12CCOCC2 ZINC000572158168 531960269 /nfs/dbraw/zinc/96/02/69/531960269.db2.gz DEMAMLFABWANEZ-GFCCVEGCSA-N 1 0 389.315 1.825 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000654065557 531961529 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CC(C)(CNC(=O)C(=O)N1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000419804344 531971330 /nfs/dbraw/zinc/97/13/30/531971330.db2.gz CZNLIPOEDZJDLO-UHFFFAOYSA-N 1 0 382.302 1.665 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)NCCC[NH2+]C1CC1)CC2 ZINC000419859614 531978977 /nfs/dbraw/zinc/97/89/77/531978977.db2.gz ZCOKZGZFICATBA-UHFFFAOYSA-N 1 0 394.313 1.901 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000419807421 531972633 /nfs/dbraw/zinc/97/26/33/531972633.db2.gz FTZGINVVQRXTRD-DZGCQCFKSA-N 1 0 396.329 1.954 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000419809203 531972671 /nfs/dbraw/zinc/97/26/71/531972671.db2.gz GPHJEXVOMUVRNI-WFASDCNBSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000419808495 531972682 /nfs/dbraw/zinc/97/26/82/531972682.db2.gz GGGWTZRAUDZHSZ-KYOSRNDESA-N 1 0 382.302 1.740 20 0 GDADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000419811035 531972764 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1.755 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000419833515 531975130 /nfs/dbraw/zinc/97/51/30/531975130.db2.gz PQGOTARKDPKTBD-OAHLLOKOSA-N 1 0 397.317 1.707 20 0 GDADRO CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000419845242 531976262 /nfs/dbraw/zinc/97/62/62/531976262.db2.gz PLBVOGRDQDUDAN-GXTWGEPZSA-N 1 0 396.285 1.599 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)NCCC[NH2+]C2CC2)c1 ZINC000419839473 531976560 /nfs/dbraw/zinc/97/65/60/531976560.db2.gz BCYIXGWRDHVUTE-UHFFFAOYSA-N 1 0 398.301 1.674 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000299293813 531977421 /nfs/dbraw/zinc/97/74/21/531977421.db2.gz QMVDWGSMPUOXOS-GOEBONIOSA-N 1 0 385.555 1.297 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000419998003 531994881 /nfs/dbraw/zinc/99/48/81/531994881.db2.gz MHGIJLKNWNADQP-OCCSQVGLSA-N 1 0 383.290 1.607 20 0 GDADRO O=C(NCCCn1cc(Br)cn1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458766528 531993380 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O[C@H](C[NH+]1CCN(c2ccc(Br)cc2)CC1)CC1(O)CCOCC1 ZINC000630051170 531990052 /nfs/dbraw/zinc/99/00/52/531990052.db2.gz OZGYFPQGENNXLM-KRWDZBQOSA-N 1 0 399.329 1.864 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000419948203 531990069 /nfs/dbraw/zinc/99/00/69/531990069.db2.gz YVSYEXSKLYTRLW-SMDDNHRTSA-N 1 0 384.274 1.060 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000630857739 531995712 /nfs/dbraw/zinc/99/57/12/531995712.db2.gz VACKHBIMYICXEB-CQSZACIVSA-N 1 0 394.273 1.164 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000299521721 531996974 /nfs/dbraw/zinc/99/69/74/531996974.db2.gz PXPGNXHBMDDVDW-UHFFFAOYSA-N 1 0 377.304 1.923 20 0 GDADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000420036118 531997504 /nfs/dbraw/zinc/99/75/04/531997504.db2.gz IRJCTKQVJKXFBH-BXUZGUMPSA-N 1 0 396.285 1.414 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000458855132 531997725 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20 0 GDADRO Cc1nc(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)sc1Br ZINC000458917446 532000941 /nfs/dbraw/zinc/00/09/41/532000941.db2.gz BSJBLTRDQFBAIJ-NSHDSACASA-N 1 0 391.335 1.860 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C1 ZINC000574885609 532001342 /nfs/dbraw/zinc/00/13/42/532001342.db2.gz MEUHIZVLCVXURM-LLVKDONJSA-N 1 0 393.285 1.858 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420127366 532003800 /nfs/dbraw/zinc/00/38/00/532003800.db2.gz PARRZBPGDLXIKP-SWLSCSKDSA-N 1 0 382.302 1.912 20 0 GDADRO CS[C@H]1CN(C(=O)c2cnn3cc(Br)cnc23)C[C@H]1[NH+](C)C ZINC000271327755 532002936 /nfs/dbraw/zinc/00/29/36/532002936.db2.gz MPCPXDCRLWDGBT-NEPJUHHUSA-N 1 0 384.303 1.609 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@@H](C)[NH2+]C ZINC000420147266 532005948 /nfs/dbraw/zinc/00/59/48/532005948.db2.gz RSQNRHDZHHIEGF-DGCLKSJQSA-N 1 0 382.302 1.837 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599103739 532006389 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20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 ZINC000359961250 209207145 /nfs/dbraw/zinc/20/71/45/209207145.db2.gz RLYRUMGEQAQKPY-RDJZCZTQSA-N 1 0 388.443 1.192 20 0 GDADRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)cn1 ZINC000328627600 209148171 /nfs/dbraw/zinc/14/81/71/209148171.db2.gz GHTRKPFPCOAUJJ-RBUKOAKNSA-N 1 0 388.516 1.791 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)CC1 ZINC000020414523 210332149 /nfs/dbraw/zinc/33/21/49/210332149.db2.gz HAZFJYRPUJFVNH-UHFFFAOYSA-N 1 0 397.523 1.490 20 0 GDADRO O=C(c1ccc2c(c1)CCCC2)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000333337814 570787366 /nfs/dbraw/zinc/78/73/66/570787366.db2.gz XJTDBCCOBIMLIB-PMACEKPBSA-N 1 0 382.508 1.926 20 0 GDADRO CCOCC[NH+]1CCN(Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736623373 598850771 /nfs/dbraw/zinc/85/07/71/598850771.db2.gz FPVZAABYYBTPDE-UHFFFAOYSA-N 1 0 397.487 1.045 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000736269989 598869054 /nfs/dbraw/zinc/86/90/54/598869054.db2.gz ZRHZWLRLGJIBOI-NEPJUHHUSA-N 1 0 382.465 1.547 20 0 GDADRO COC(=O)[C@H](N[C@@H](Cc1ccccc1)C[NH+](C)C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736895484 598880966 /nfs/dbraw/zinc/88/09/66/598880966.db2.gz JYMSBOLTTCFKLB-RBUKOAKNSA-N 1 0 394.479 1.843 20 0 GDADRO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736890044 598890647 /nfs/dbraw/zinc/89/06/47/598890647.db2.gz ZSVMOQJQPOOXGW-ZJUUUORDSA-N 1 0 380.836 1.588 20 0 GDADRO CN(C)C(=O)CCCC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736746011 598894559 /nfs/dbraw/zinc/89/45/59/598894559.db2.gz KQBFGDYVVASVIK-UHFFFAOYSA-N 1 0 399.499 1.160 20 0 GDADRO OC[C@@]1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCCN(Cc2ccccc2)C1 ZINC000738393074 598900278 /nfs/dbraw/zinc/90/02/78/598900278.db2.gz IINGVLKNUBEKBH-OAQYLSRUSA-N 1 0 378.480 1.983 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000737298551 598948852 /nfs/dbraw/zinc/94/88/52/598948852.db2.gz RKXRQTXRPYNTGI-UHFFFAOYSA-N 1 0 378.502 1.718 20 0 GDADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736851201 598974906 /nfs/dbraw/zinc/97/49/06/598974906.db2.gz GYASRQGGRZRXIJ-KRWDZBQOSA-N 1 0 398.515 1.177 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000737033259 598987848 /nfs/dbraw/zinc/98/78/48/598987848.db2.gz SNPZDGYMSLLIEC-OAHLLOKOSA-N 1 0 386.456 1.341 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000737220085 599000489 /nfs/dbraw/zinc/00/04/89/599000489.db2.gz AOUYZYSZXYPUGP-OAHLLOKOSA-N 1 0 376.486 1.424 20 0 GDADRO CC1(C)C[N@@H+](C2(CNC(=O)c3ccc(-c4nn[nH]n4)nc3)CCCCC2)CCO1 ZINC000736213113 599004268 /nfs/dbraw/zinc/00/42/68/599004268.db2.gz HMKLNLZUTFWHMD-UHFFFAOYSA-N 1 0 399.499 1.805 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000737224434 599004591 /nfs/dbraw/zinc/00/45/91/599004591.db2.gz VJZILSSQMSXZHX-KBPBESRZSA-N 1 0 378.502 1.716 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000737223603 599005432 /nfs/dbraw/zinc/00/54/32/599005432.db2.gz IYGNWVQUXWJDNL-HNNXBMFYSA-N 1 0 380.518 1.820 20 0 GDADRO Fc1cccc(N2CC[NH+](CCOC[C@@H]3CCCO3)CC2)c1-c1nn[nH]n1 ZINC000737659897 599049953 /nfs/dbraw/zinc/04/99/53/599049953.db2.gz FMNVORTWZUZCQT-AWEZNQCLSA-N 1 0 376.436 1.323 20 0 GDADRO Fc1cccc(N2CC[NH+](CCOC[C@H]3CCCO3)CC2)c1-c1nn[nH]n1 ZINC000737659902 599050274 /nfs/dbraw/zinc/05/02/74/599050274.db2.gz FMNVORTWZUZCQT-CQSZACIVSA-N 1 0 376.436 1.323 20 0 GDADRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736767404 599050549 /nfs/dbraw/zinc/05/05/49/599050549.db2.gz PQEJMYQZARVHRM-UHFFFAOYSA-N 1 0 393.517 1.394 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](Nc3nc(C(F)(F)F)ccc3-c3nn[nH]n3)C2)CC1 ZINC000736851204 599056167 /nfs/dbraw/zinc/05/61/67/599056167.db2.gz HCEDEBVLLHQDFH-NSHDSACASA-N 1 0 396.421 1.861 20 0 GDADRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736456698 599069662 /nfs/dbraw/zinc/06/96/62/599069662.db2.gz HMEUMYDKUWKKGD-JKSUJKDBSA-N 1 0 385.472 1.021 20 0 GDADRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736456697 599069885 /nfs/dbraw/zinc/06/98/85/599069885.db2.gz HMEUMYDKUWKKGD-HZPDHXFCSA-N 1 0 385.472 1.021 20 0 GDADRO COc1ccc(CCC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000737088035 599095535 /nfs/dbraw/zinc/09/55/35/599095535.db2.gz KQBHHDJODYIGBM-GOSISDBHSA-N 1 0 396.451 1.633 20 0 GDADRO NC(=O)[C@@H](NCCNC(=O)CC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737734806 599096831 /nfs/dbraw/zinc/09/68/31/599096831.db2.gz BLMOFBXJXMWAQT-KRWDZBQOSA-N 1 0 385.472 1.069 20 0 GDADRO COc1cccc(N2CC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737137176 599097626 /nfs/dbraw/zinc/09/76/26/599097626.db2.gz BUIOFIXHBGTIGK-MAUKXSAKSA-N 1 0 393.451 1.270 20 0 GDADRO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000823002493 599106112 /nfs/dbraw/zinc/10/61/12/599106112.db2.gz ZJWCXEIGYAKOIO-CYBMUJFWSA-N 1 0 375.864 1.629 20 0 GDADRO CC(C)Oc1ccc([C@@H](O)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735915877 599178066 /nfs/dbraw/zinc/17/80/66/599178066.db2.gz UJCMRAJBWKLIAR-DYVFJYSZSA-N 1 0 398.471 1.215 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000736758900 599182552 /nfs/dbraw/zinc/18/25/52/599182552.db2.gz KDHGNNONVCSLFR-HNNXBMFYSA-N 1 0 387.488 1.079 20 0 GDADRO Cc1c(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cccc1-c1nn[nH]n1 ZINC000822053473 607273986 /nfs/dbraw/zinc/27/39/86/607273986.db2.gz NQMHJIGJRQGHLK-UHFFFAOYSA-N 1 0 383.456 1.104 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736236690 599270997 /nfs/dbraw/zinc/27/09/97/599270997.db2.gz LKRLSNOVFVZQJV-JTDSTZFVSA-N 1 0 397.527 1.820 20 0 GDADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000823299302 599277851 /nfs/dbraw/zinc/27/78/51/599277851.db2.gz QUQANESHJGWSNF-GFCCVEGCSA-N 1 0 391.382 1.946 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821690337 599289158 /nfs/dbraw/zinc/28/91/58/599289158.db2.gz GRTCGHXKQFZJPN-LLVKDONJSA-N 1 0 399.377 1.728 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000820128018 607325528 /nfs/dbraw/zinc/32/55/28/607325528.db2.gz NUIUSOANZWIWNI-UHFFFAOYSA-N 1 0 398.515 1.889 20 0 GDADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820697803 607336803 /nfs/dbraw/zinc/33/68/03/607336803.db2.gz MJZIJIBNWLLKIK-VXGBXAGGSA-N 1 0 389.435 1.323 20 0 GDADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735827940 598239215 /nfs/dbraw/zinc/23/92/15/598239215.db2.gz UVQUFZKPCKIJIF-UHFFFAOYSA-N 1 0 393.879 1.505 20 0 GDADRO O[C@@H](COc1ccccc1)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738389425 598253925 /nfs/dbraw/zinc/25/39/25/598253925.db2.gz XAWMUKLDBFUJIW-MRXNPFEDSA-N 1 0 380.452 1.429 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735856954 598256579 /nfs/dbraw/zinc/25/65/79/598256579.db2.gz MRDTZDSLEKEEBP-UHFFFAOYSA-N 1 0 387.488 1.760 20 0 GDADRO CCCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736412463 598257419 /nfs/dbraw/zinc/25/74/19/598257419.db2.gz PKXNYHBYPQRUEA-MRXNPFEDSA-N 1 0 385.472 1.576 20 0 GDADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)c1 ZINC000736509240 598267270 /nfs/dbraw/zinc/26/72/70/598267270.db2.gz BMMOIODAABVQFC-UHFFFAOYSA-N 1 0 387.469 1.192 20 0 GDADRO Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737402573 598274502 /nfs/dbraw/zinc/27/45/02/598274502.db2.gz WVLUVYAAMHUUHM-QGZVFWFLSA-N 1 0 394.479 1.737 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736237283 598284713 /nfs/dbraw/zinc/28/47/13/598284713.db2.gz OPLNOZIIFBAGBK-ZNMIVQPWSA-N 1 0 384.488 1.172 20 0 GDADRO NC(=O)C1CCN(c2ncccc2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737748506 598285407 /nfs/dbraw/zinc/28/54/07/598285407.db2.gz ZSHWIAGWCLWYKS-UHFFFAOYSA-N 1 0 392.467 1.253 20 0 GDADRO Cc1noc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737533920 598304223 /nfs/dbraw/zinc/30/42/23/598304223.db2.gz KRNMRAPFDAOKHX-GFCCVEGCSA-N 1 0 399.459 1.393 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000735836211 598325386 /nfs/dbraw/zinc/32/53/86/598325386.db2.gz VSXWTAAAEOOSLD-HNNXBMFYSA-N 1 0 391.451 1.162 20 0 GDADRO Cc1ccc(N2CCC[C@@H]([N@H+](C)CCOc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC000737352228 598364293 /nfs/dbraw/zinc/36/42/93/598364293.db2.gz PHWYIFXYTGTXPD-QGZVFWFLSA-N 1 0 394.483 1.945 20 0 GDADRO COC(=O)C1CC[NH+](CCCNc2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000736911964 598389863 /nfs/dbraw/zinc/38/98/63/598389863.db2.gz JXMILIHYKYDACZ-UHFFFAOYSA-N 1 0 379.852 1.602 20 0 GDADRO C[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736142456 598404499 /nfs/dbraw/zinc/40/44/99/598404499.db2.gz OKYHFKFOSGYAGP-WCQYABFASA-N 1 0 390.513 1.981 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)N(C)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736982012 598412709 /nfs/dbraw/zinc/41/27/09/598412709.db2.gz PTDBCVKPNZXVIM-UHFFFAOYSA-N 1 0 387.488 1.509 20 0 GDADRO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@H](C)O ZINC000736146959 598415787 /nfs/dbraw/zinc/41/57/87/598415787.db2.gz LPTWPHOKWTYNNK-NSHDSACASA-N 1 0 378.502 1.837 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000737896715 598416395 /nfs/dbraw/zinc/41/63/95/598416395.db2.gz XMIHVEMLDHSFFH-UHFFFAOYSA-N 1 0 399.499 1.430 20 0 GDADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000735736756 598420752 /nfs/dbraw/zinc/42/07/52/598420752.db2.gz ZJAFULWGYKJEPY-QAPCUYQASA-N 1 0 384.484 1.967 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000737189400 598462029 /nfs/dbraw/zinc/46/20/29/598462029.db2.gz MASICQSZCHNRRU-LLVKDONJSA-N 1 0 385.497 1.828 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738044499 598462471 /nfs/dbraw/zinc/46/24/71/598462471.db2.gz KIIQNSDKWSDISO-MRXNPFEDSA-N 1 0 377.452 1.904 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736988659 598478275 /nfs/dbraw/zinc/47/82/75/598478275.db2.gz QKNHYYZYNWVSGO-UHFFFAOYSA-N 1 0 387.488 1.509 20 0 GDADRO CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC000736569022 598479982 /nfs/dbraw/zinc/47/99/82/598479982.db2.gz FWLPLJPNLDTHEB-MRXNPFEDSA-N 1 0 399.503 1.014 20 0 GDADRO FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737634955 598520599 /nfs/dbraw/zinc/52/05/99/598520599.db2.gz BYWJAUTVXZVVHQ-LLVKDONJSA-N 1 0 378.362 1.914 20 0 GDADRO O=C1CCCN1c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000738304493 598520683 /nfs/dbraw/zinc/52/06/83/598520683.db2.gz MBUDCPZDWMILEV-CQSZACIVSA-N 1 0 393.455 1.022 20 0 GDADRO CCOc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000736643315 598521977 /nfs/dbraw/zinc/52/19/77/598521977.db2.gz GZYXBQUQYBZXTR-ZDUSSCGKSA-N 1 0 384.444 1.302 20 0 GDADRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000737615705 598522091 /nfs/dbraw/zinc/52/20/91/598522091.db2.gz KPUOSHXHDXWFDQ-CZUORRHYSA-N 1 0 390.455 1.218 20 0 GDADRO FC(F)(F)CO[C@H]1CCC[N@H+](C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000737628428 598523758 /nfs/dbraw/zinc/52/37/58/598523758.db2.gz VQVOCTUOHUXGEB-MNOVXSKESA-N 1 0 386.382 1.148 20 0 GDADRO CN(CCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1F ZINC000736802196 598524422 /nfs/dbraw/zinc/52/44/22/598524422.db2.gz YMUFCOMYZBUKMP-ZDUSSCGKSA-N 1 0 385.451 1.360 20 0 GDADRO c1cn(-c2ccccc2C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cn1 ZINC000738427386 598525841 /nfs/dbraw/zinc/52/58/41/598525841.db2.gz WBTDGUWHLXMWQU-CYBMUJFWSA-N 1 0 376.428 1.080 20 0 GDADRO CN1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)Cc2ccccc21 ZINC000736863029 598525957 /nfs/dbraw/zinc/52/59/57/598525957.db2.gz HDVJRFSSXPEMOB-QGZVFWFLSA-N 1 0 380.452 1.558 20 0 GDADRO CC(C)COC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccco1 ZINC000735837150 598527251 /nfs/dbraw/zinc/52/72/51/598527251.db2.gz GSZBWFCWRNRONP-DZGCQCFKSA-N 1 0 386.460 1.701 20 0 GDADRO CCc1nc2ccccc2n1CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736707675 598528208 /nfs/dbraw/zinc/52/82/08/598528208.db2.gz YONNRPSKLFJILL-ZDUSSCGKSA-N 1 0 392.471 1.307 20 0 GDADRO Fc1ccc([C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)[C@H]2CCCO2)cc1 ZINC000737650245 598528229 /nfs/dbraw/zinc/52/82/29/598528229.db2.gz OFRFEHHRZBCQKF-VUCTXSBTSA-N 1 0 398.446 1.754 20 0 GDADRO c1cnn(-c2ccccc2C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000738424559 598528433 /nfs/dbraw/zinc/52/84/33/598528433.db2.gz FPRNRNOQSNABPY-CYBMUJFWSA-N 1 0 376.428 1.080 20 0 GDADRO COc1ccc(COCCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737098768 598529877 /nfs/dbraw/zinc/52/98/77/598529877.db2.gz ZMRYRQVQZWFCAF-HNNXBMFYSA-N 1 0 398.471 1.310 20 0 GDADRO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735664607 598530428 /nfs/dbraw/zinc/53/04/28/598530428.db2.gz LNINJYNQFAOKGP-IUODEOHRSA-N 1 0 396.503 1.724 20 0 GDADRO COc1ccc(C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737074251 598531149 /nfs/dbraw/zinc/53/11/49/598531149.db2.gz WWJBFUYSMGKHNW-ZDUSSCGKSA-N 1 0 382.472 1.681 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736860271 598555955 /nfs/dbraw/zinc/55/59/55/598555955.db2.gz NGSCVWNBGRRNEI-AWEZNQCLSA-N 1 0 382.424 1.863 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000736859911 598618654 /nfs/dbraw/zinc/61/86/54/598618654.db2.gz KBASJHTZZLGJAC-KRWDZBQOSA-N 1 0 385.516 1.347 20 0 GDADRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)c1cccs1 ZINC000736757521 598630025 /nfs/dbraw/zinc/63/00/25/598630025.db2.gz BPCCOKYYSZZZGI-CYBMUJFWSA-N 1 0 393.498 1.290 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736765633 598635543 /nfs/dbraw/zinc/63/55/43/598635543.db2.gz ZGBUWLJPRIWGSX-MRXNPFEDSA-N 1 0 397.414 1.363 20 0 GDADRO CC1(C)CC(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC(C)(C)[NH2+]1 ZINC000736211307 598635740 /nfs/dbraw/zinc/63/57/40/598635740.db2.gz NUYNMNSRGOZDSY-UHFFFAOYSA-N 1 0 389.435 1.370 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736266085 598638584 /nfs/dbraw/zinc/63/85/84/598638584.db2.gz MPWWGBQHLZPYCQ-VXGBXAGGSA-N 1 0 389.435 1.181 20 0 GDADRO C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@@H+]2CCC[C@H]2C2CC2)C1=O ZINC000736222700 598671241 /nfs/dbraw/zinc/67/12/41/598671241.db2.gz JKOZDFVFYISYPP-KXBFYZLASA-N 1 0 381.440 1.466 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737844987 598706489 /nfs/dbraw/zinc/70/64/89/598706489.db2.gz XIRYBBXKRWZOAA-OAHLLOKOSA-N 1 0 397.483 1.672 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736568875 598717190 /nfs/dbraw/zinc/71/71/90/598717190.db2.gz DVGIXRCPAREAHO-MRXNPFEDSA-N 1 0 398.515 1.573 20 0 GDADRO CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736852902 598743402 /nfs/dbraw/zinc/74/34/02/598743402.db2.gz SDYBEOZEEIRHCU-ZEVQVBBLSA-N 1 0 395.511 1.507 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736860746 598757556 /nfs/dbraw/zinc/75/75/56/598757556.db2.gz VEEZKSFREVIIIW-CABCVRRESA-N 1 0 380.449 1.253 20 0 GDADRO Cn1nccc1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737628084 598759358 /nfs/dbraw/zinc/75/93/58/598759358.db2.gz NDTFYVJNHIZILO-QAPCUYQASA-N 1 0 392.467 1.585 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)[NH+]1CCCCC1 ZINC000735692011 598815965 /nfs/dbraw/zinc/81/59/65/598815965.db2.gz RJTHFHBSIVODLF-GOSISDBHSA-N 1 0 398.515 1.421 20 0 GDADRO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000820709546 599303001 /nfs/dbraw/zinc/30/30/01/599303001.db2.gz KANVTTHIOAYYOF-INIZCTEOSA-N 1 0 383.500 1.780 20 0 GDADRO NC(=O)c1cc([C@@H]2CCC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)n[nH]1 ZINC000737754052 599316808 /nfs/dbraw/zinc/31/68/08/599316808.db2.gz BVRCFRSAAFNPJH-GFCCVEGCSA-N 1 0 391.439 1.321 20 0 GDADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000735905565 599351376 /nfs/dbraw/zinc/35/13/76/599351376.db2.gz KVWYHXXPMQSOJR-CQSZACIVSA-N 1 0 389.460 1.448 20 0 GDADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420538 599366567 /nfs/dbraw/zinc/36/65/67/599366567.db2.gz SOBVWXGMYGVYAP-CQSZACIVSA-N 1 0 386.481 1.637 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821002758 599369945 /nfs/dbraw/zinc/36/99/45/599369945.db2.gz YUWGLWURVPFKTF-VXGBXAGGSA-N 1 0 396.904 1.767 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)C1 ZINC000821189824 599372545 /nfs/dbraw/zinc/37/25/45/599372545.db2.gz VCGCVLDOIQVEAW-CQSZACIVSA-N 1 0 378.502 1.528 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)C1 ZINC000821087927 599374036 /nfs/dbraw/zinc/37/40/36/599374036.db2.gz HXPHAQULZOYNFE-CQSZACIVSA-N 1 0 378.502 1.528 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000443009175 599375852 /nfs/dbraw/zinc/37/58/52/599375852.db2.gz JGZJAUGTZBGEIZ-LLVKDONJSA-N 1 0 384.893 1.482 20 0 GDADRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1-c1nn[nH]n1 ZINC000821809928 599415230 /nfs/dbraw/zinc/41/52/30/599415230.db2.gz UFTGVJXZGMQWOD-ZDUSSCGKSA-N 1 0 399.407 1.134 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000821584639 599443198 /nfs/dbraw/zinc/44/31/98/599443198.db2.gz MHWNNBAQRAULCU-MRXNPFEDSA-N 1 0 389.504 1.911 20 0 GDADRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CCOC1 ZINC000820351440 599449280 /nfs/dbraw/zinc/44/92/80/599449280.db2.gz PEEDNLIWVMWJFV-YJBOKZPZSA-N 1 0 399.499 1.509 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821579963 599454133 /nfs/dbraw/zinc/45/41/33/599454133.db2.gz ULJWSYFEMLOHJU-GOSISDBHSA-N 1 0 395.467 1.848 20 0 GDADRO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)cc1 ZINC000822241427 599455327 /nfs/dbraw/zinc/45/53/27/599455327.db2.gz VQZSMPRWSYHBHF-JKSUJKDBSA-N 1 0 393.499 1.672 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000738413859 599486026 /nfs/dbraw/zinc/48/60/26/599486026.db2.gz YVOUJCAVJWCOPP-UHFFFAOYSA-N 1 0 375.440 1.799 20 0 GDADRO COc1cc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)ccc1OCCO ZINC000737048210 599486716 /nfs/dbraw/zinc/48/67/16/599486716.db2.gz XMJCMRNEYLFGES-UHFFFAOYSA-N 1 0 395.423 1.184 20 0 GDADRO COc1cccc2c1OC[C@@H]([NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)C2 ZINC000737142672 599489487 /nfs/dbraw/zinc/48/94/87/599489487.db2.gz LXHPIOHDFFAELK-AWEZNQCLSA-N 1 0 377.408 1.616 20 0 GDADRO C[C@@](O)(C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc(F)cc1F ZINC000736141462 599490037 /nfs/dbraw/zinc/49/00/37/599490037.db2.gz JOMYETNPTHYYKL-GOSISDBHSA-N 1 0 385.378 1.790 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000822337199 599524013 /nfs/dbraw/zinc/52/40/13/599524013.db2.gz VIDGIAAXTIXTRJ-DLBZAZTESA-N 1 0 379.468 1.759 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000822204439 599528747 /nfs/dbraw/zinc/52/87/47/599528747.db2.gz OTKUIQYUBLJIPN-STQMWFEESA-N 1 0 385.447 1.805 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000826252190 607384821 /nfs/dbraw/zinc/38/48/21/607384821.db2.gz SUUPQJPTHFQZSM-UHFFFAOYSA-N 1 0 386.456 1.321 20 0 GDADRO C[C@@H]1CCCCC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736266049 599579870 /nfs/dbraw/zinc/57/98/70/599579870.db2.gz FDDRECLELIVTPI-BFUOFWGJSA-N 1 0 383.456 1.856 20 0 GDADRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737146094 599592339 /nfs/dbraw/zinc/59/23/39/599592339.db2.gz FPCZVLZBBIBHAO-MAUKXSAKSA-N 1 0 378.436 1.891 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)c1-c1nn[nH]n1 ZINC000822314045 599596630 /nfs/dbraw/zinc/59/66/30/599596630.db2.gz RIELZCWZIRYZHE-UHFFFAOYSA-N 1 0 385.472 1.494 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[nH]n1 ZINC000820979780 599605314 /nfs/dbraw/zinc/60/53/14/599605314.db2.gz JWGNTLRTLBMFMS-CQSZACIVSA-N 1 0 385.472 1.494 20 0 GDADRO O=C(CN1CC[C@H](C[NH+]2CCCCC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822993210 599642208 /nfs/dbraw/zinc/64/22/08/599642208.db2.gz QXNCEZOHAPQSPC-CYBMUJFWSA-N 1 0 375.502 1.675 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000822850574 599642214 /nfs/dbraw/zinc/64/22/14/599642214.db2.gz KVJMJGUOYPKNSK-LPHOPBHVSA-N 1 0 392.463 1.932 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820995524 599677590 /nfs/dbraw/zinc/67/75/90/599677590.db2.gz SZVGQNJWFBDUJZ-JKSUJKDBSA-N 1 0 385.472 1.514 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000823211794 599678163 /nfs/dbraw/zinc/67/81/63/599678163.db2.gz RXWWUGRIYJRPGZ-UHFFFAOYSA-N 1 0 399.499 1.905 20 0 GDADRO CN1CCO[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)cc2)C1 ZINC000821628635 599697863 /nfs/dbraw/zinc/69/78/63/599697863.db2.gz MZZBYBXVGYHPRF-KRWDZBQOSA-N 1 0 380.408 1.928 20 0 GDADRO C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736677763 599962299 /nfs/dbraw/zinc/96/22/99/599962299.db2.gz PBQWYSATIXCHEZ-HNNXBMFYSA-N 1 0 392.500 1.417 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000737086243 600122942 /nfs/dbraw/zinc/12/29/42/600122942.db2.gz IMSRKDNFCCNYJO-INIZCTEOSA-N 1 0 391.516 1.745 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736208320 600292093 /nfs/dbraw/zinc/29/20/93/600292093.db2.gz MLCAROQXDJQLNW-QRQLOZEOSA-N 1 0 385.508 1.952 20 0 GDADRO CC[N@H+](CCNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)C1CC1 ZINC000737102964 600395011 /nfs/dbraw/zinc/39/50/11/600395011.db2.gz DKLKOJBTMQDSAX-UHFFFAOYSA-N 1 0 389.500 1.499 20 0 GDADRO O=C([O-])[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000739572531 600493353 /nfs/dbraw/zinc/49/33/53/600493353.db2.gz WPSNRBPWJLONLQ-MRXNPFEDSA-N 1 0 375.473 1.100 20 0 GDADRO O=C(CCN1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822969568 607450205 /nfs/dbraw/zinc/45/02/05/607450205.db2.gz RFOYUYJNGPIXRO-ZDUSSCGKSA-N 1 0 375.864 1.629 20 0 GDADRO O[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)COc1ccc(F)c(F)c1 ZINC000823681714 607481439 /nfs/dbraw/zinc/48/14/39/607481439.db2.gz JFCIZTWOOQDLLL-LBPRGKRZSA-N 1 0 379.342 1.814 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1ccc(-c2nn[nH]n2)cc1F ZINC000821575976 607478809 /nfs/dbraw/zinc/47/88/09/607478809.db2.gz XCXRRFMYYKOQHM-INIZCTEOSA-N 1 0 375.452 1.038 20 0 GDADRO COc1ccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)cc1-c1nn[nH]n1 ZINC000826192140 607496868 /nfs/dbraw/zinc/49/68/68/607496868.db2.gz ATDOIWROYLWVTF-UHFFFAOYSA-N 1 0 396.499 1.668 20 0 GDADRO COc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc1-c1nn[nH]n1 ZINC000826195297 607504365 /nfs/dbraw/zinc/50/43/65/607504365.db2.gz OIIZVKFRHZEANK-UHFFFAOYSA-N 1 0 393.451 1.296 20 0 GDADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825399474 607505024 /nfs/dbraw/zinc/50/50/24/607505024.db2.gz VAXQNSZCMBBZCF-CYBMUJFWSA-N 1 0 397.405 1.885 20 0 GDADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)s3)nc2)C1 ZINC000821583269 607506557 /nfs/dbraw/zinc/50/65/57/607506557.db2.gz OODPKORAKNNDBW-GFCCVEGCSA-N 1 0 384.469 1.716 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1-c1nn[nH]n1 ZINC000826301639 607550942 /nfs/dbraw/zinc/55/09/42/607550942.db2.gz LEPIXDQUBFPBHW-KBPBESRZSA-N 1 0 376.486 1.280 20 0 GDADRO COc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)s2)cc1-c1nn[nH]n1 ZINC000826203097 607568281 /nfs/dbraw/zinc/56/82/81/607568281.db2.gz YVDSIWMJXSQUST-UHFFFAOYSA-N 1 0 387.469 1.458 20 0 GDADRO Cc1cccc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000826303192 607580769 /nfs/dbraw/zinc/58/07/69/607580769.db2.gz DPKCQZAKKPKSTJ-AWEZNQCLSA-N 1 0 378.502 1.718 20 0 GDADRO O=C([O-])N1CCC[C@@H]1CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000831327091 602780361 /nfs/dbraw/zinc/78/03/61/602780361.db2.gz MYJQOJUDTIWYLG-QGZVFWFLSA-N 1 0 375.473 1.242 20 0 GDADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826488194 607589233 /nfs/dbraw/zinc/58/92/33/607589233.db2.gz KFUOKVOFEYBUPM-NEPJUHHUSA-N 1 0 382.877 1.425 20 0 GDADRO O=S(=O)(c1cccc(Cl)c1-c1nn[nH]n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000826495108 607599756 /nfs/dbraw/zinc/59/97/56/607599756.db2.gz CPWUNTPTTCGUEM-GFCCVEGCSA-N 1 0 396.904 1.769 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000825285467 607601918 /nfs/dbraw/zinc/60/19/18/607601918.db2.gz XCCJIWTYFNFXRQ-CQSZACIVSA-N 1 0 396.492 1.939 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000825848435 607615323 /nfs/dbraw/zinc/61/53/23/607615323.db2.gz CRZUTJHFKJDKIQ-JZPQVBBNSA-N 1 0 382.468 1.590 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2CCN(C(=O)[O-])CC2)CC1 ZINC000739608961 603369739 /nfs/dbraw/zinc/36/97/39/603369739.db2.gz XYGJNMUTGUXGJC-UHFFFAOYSA-N 1 0 382.549 1.792 20 0 GDADRO CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](C)O ZINC000825206104 607635079 /nfs/dbraw/zinc/63/50/79/607635079.db2.gz ZLSPMMDTVGKWOC-WCQYABFASA-N 1 0 377.424 1.315 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000825218876 607652258 /nfs/dbraw/zinc/65/22/58/607652258.db2.gz GCOHECIOPHMOCZ-RYUDHWBXSA-N 1 0 396.904 1.767 20 0 GDADRO Cc1cccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c1-c1nn[nH]n1 ZINC000826302450 607663227 /nfs/dbraw/zinc/66/32/27/607663227.db2.gz JZLONSBCRCXWMF-UHFFFAOYSA-N 1 0 390.513 1.860 20 0 GDADRO [NH3+]CC1(NC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CCOCC1 ZINC000529306921 649939714 /nfs/dbraw/zinc/93/97/14/649939714.db2.gz OGDBSZMJZQPABH-CYBMUJFWSA-N 1 0 397.317 1.835 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nn[nH]n3)CC[C@H]21 ZINC000826033335 607673268 /nfs/dbraw/zinc/67/32/68/607673268.db2.gz APMGFWYMDZKAGS-DGCLKSJQSA-N 1 0 396.904 1.625 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1cc(F)c(Br)cc1F ZINC000529345807 649940930 /nfs/dbraw/zinc/94/09/30/649940930.db2.gz XGMJUIULULTHHU-SNVBAGLBSA-N 1 0 377.233 1.430 20 0 GDADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc(Br)c(F)c1F ZINC000529368933 649941808 /nfs/dbraw/zinc/94/18/08/649941808.db2.gz VTFVNPDXQKHJQP-HNNXBMFYSA-N 1 0 375.213 1.914 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000529473525 649946181 /nfs/dbraw/zinc/94/61/81/649946181.db2.gz UPEPGUSZKUONOU-GFCCVEGCSA-N 1 0 391.896 1.699 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000826245233 607706197 /nfs/dbraw/zinc/70/61/97/607706197.db2.gz RIHNBRXPTHPQRB-KRWDZBQOSA-N 1 0 384.484 1.892 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[NH+](CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833591376 605046091 /nfs/dbraw/zinc/04/60/91/605046091.db2.gz LGUJRCMLSGKJNG-KSZLIROESA-N 1 0 382.549 1.935 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000833627397 605135471 /nfs/dbraw/zinc/13/54/71/605135471.db2.gz XDMNVYIXOOMLKP-AEFFLSMTSA-N 1 0 376.501 1.350 20 0 GDADRO O=C([O-])CCC[NH+]1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000833772884 605219495 /nfs/dbraw/zinc/21/94/95/605219495.db2.gz DSBJEYHHCSIFMA-FQEVSTJZSA-N 1 0 375.513 1.806 20 0 GDADRO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826434985 607745235 /nfs/dbraw/zinc/74/52/35/607745235.db2.gz DBPCOIAWXSDYQL-SFHVURJKSA-N 1 0 395.467 1.370 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1-c1nn[nH]n1 ZINC000826303373 607746779 /nfs/dbraw/zinc/74/67/79/607746779.db2.gz MDVGFAXJUIGUQU-CQSZACIVSA-N 1 0 378.502 1.574 20 0 GDADRO CC1=C(C(=O)[O-])C[C@H](C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)O1 ZINC000833580298 605363257 /nfs/dbraw/zinc/36/32/57/605363257.db2.gz PCUSLHQHNARPLL-QGZVFWFLSA-N 1 0 389.496 1.897 20 0 GDADRO O=C(c1ncc(-c2nn[nH]n2)cc1Cl)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000826475704 607752310 /nfs/dbraw/zinc/75/23/10/607752310.db2.gz OAXWQNGYDKKBKY-ZDUSSCGKSA-N 1 0 391.863 1.242 20 0 GDADRO C[C@H](O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824697255 607756835 /nfs/dbraw/zinc/75/68/35/607756835.db2.gz AVHFUWJOCNJOGK-SRVKXCTJSA-N 1 0 390.513 1.979 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1-c1nn[nH]n1 ZINC000825538345 607766190 /nfs/dbraw/zinc/76/61/90/607766190.db2.gz FAVSDETVPYGNRR-GFCCVEGCSA-N 1 0 388.432 1.651 20 0 GDADRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1O ZINC000821794486 606076054 /nfs/dbraw/zinc/07/60/54/606076054.db2.gz IOVCLOPXXHDAFE-OAHLLOKOSA-N 1 0 385.424 1.453 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[NH+](CCOC(C)C)CC1 ZINC000821702189 606097657 /nfs/dbraw/zinc/09/76/57/606097657.db2.gz KTCOASPHMJLQGW-UHFFFAOYSA-N 1 0 390.488 1.297 20 0 GDADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000819913726 606117472 /nfs/dbraw/zinc/11/74/72/606117472.db2.gz CYOXHDUHZZXGQG-UHFFFAOYSA-N 1 0 389.435 1.323 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000822614828 606160338 /nfs/dbraw/zinc/16/03/38/606160338.db2.gz UIWKJIURAOIEDN-UHFFFAOYSA-N 1 0 395.471 1.559 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000822614352 606167493 /nfs/dbraw/zinc/16/74/93/606167493.db2.gz MEQMAPDTEJFBDT-AWEZNQCLSA-N 1 0 381.444 1.386 20 0 GDADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821585939 606176134 /nfs/dbraw/zinc/17/61/34/606176134.db2.gz BPFGIPFXNDBDSL-UHFFFAOYSA-N 1 0 378.502 1.752 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000822636447 606282350 /nfs/dbraw/zinc/28/23/50/606282350.db2.gz DTMYTQZGQUFHMM-UHFFFAOYSA-N 1 0 383.431 1.739 20 0 GDADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000823261113 606288024 /nfs/dbraw/zinc/28/80/24/606288024.db2.gz AVBRVVINDMHILF-UHFFFAOYSA-N 1 0 393.451 1.148 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CCSC1 ZINC000821581898 606301235 /nfs/dbraw/zinc/30/12/35/606301235.db2.gz XOTDLAGXKVFYPS-INIZCTEOSA-N 1 0 378.527 1.512 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000821266354 606321576 /nfs/dbraw/zinc/32/15/76/606321576.db2.gz BWQYXFIOSBSZGD-MRXNPFEDSA-N 1 0 380.456 1.717 20 0 GDADRO C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358625 606331203 /nfs/dbraw/zinc/33/12/03/606331203.db2.gz OGSQAQBAFYDNHV-PXAZEXFGSA-N 1 0 375.502 1.664 20 0 GDADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821099406 606399483 /nfs/dbraw/zinc/39/94/83/606399483.db2.gz GOSRNGKONDSESI-UHFFFAOYSA-N 1 0 391.451 1.573 20 0 GDADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[NH+](C)C ZINC000820893319 606401614 /nfs/dbraw/zinc/40/16/14/606401614.db2.gz NFPGZAISUVOVLC-HNNXBMFYSA-N 1 0 391.451 1.427 20 0 GDADRO CC[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1ccccc1F ZINC000820907801 606427382 /nfs/dbraw/zinc/42/73/82/606427382.db2.gz HHHUTMRQDWJDIP-CHWSQXEVSA-N 1 0 386.435 1.691 20 0 GDADRO Cn1c(Sc2ccc(Cl)c(-c3nn[nH]n3)n2)nnc1C1CC[NH2+]CC1 ZINC000822604486 606466968 /nfs/dbraw/zinc/46/69/68/606466968.db2.gz GCEJXAYATMABBX-UHFFFAOYSA-N 1 0 377.865 1.662 20 0 GDADRO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820404338 606472274 /nfs/dbraw/zinc/47/22/74/606472274.db2.gz SJNGUKNQSAWQHL-ZXYKHMISSA-N 1 0 378.436 1.936 20 0 GDADRO CCOCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821379039 606488988 /nfs/dbraw/zinc/48/89/88/606488988.db2.gz ZVQYUERKDQEFHD-UHFFFAOYSA-N 1 0 382.415 1.622 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)cs2)[C@H](C)C1 ZINC000821378957 606512699 /nfs/dbraw/zinc/51/26/99/606512699.db2.gz YDSBQPNQTGIEOZ-TZMCWYRMSA-N 1 0 378.502 1.795 20 0 GDADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823190727 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383.408 1.485 20 0 GDADRO COc1cc(C[NH2+]C[C@H]2COCCN2)cc(I)c1OC ZINC000530247469 649968618 /nfs/dbraw/zinc/96/86/18/649968618.db2.gz UKZHHJWRFSUSKO-NSHDSACASA-N 1 0 392.237 1.386 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821931613 606885703 /nfs/dbraw/zinc/88/57/03/606885703.db2.gz DWFRVBPLYNROGI-OAHLLOKOSA-N 1 0 394.501 1.039 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820684195 606891156 /nfs/dbraw/zinc/89/11/56/606891156.db2.gz MZIDCBPRHHOSOF-HLIPFELVSA-N 1 0 399.543 1.391 20 0 GDADRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819899378 606899082 /nfs/dbraw/zinc/89/90/82/606899082.db2.gz UKXMDBISXVQPQL-RHSMWYFYSA-N 1 0 386.500 1.774 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000822145273 607020808 /nfs/dbraw/zinc/02/08/08/607020808.db2.gz PYNIASDCTZWGHC-UHFFFAOYSA-N 1 0 378.502 1.670 20 0 GDADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820562942 607055815 /nfs/dbraw/zinc/05/58/15/607055815.db2.gz KDSDGICYYVRSIZ-LLVKDONJSA-N 1 0 390.444 1.846 20 0 GDADRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820299780 607077767 /nfs/dbraw/zinc/07/77/67/607077767.db2.gz KDNSANAYBXEIQZ-CQSZACIVSA-N 1 0 380.452 1.752 20 0 GDADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000820648528 607126759 /nfs/dbraw/zinc/12/67/59/607126759.db2.gz BBWHYAYQVCLMDX-FRRDWIJNSA-N 1 0 396.492 1.651 20 0 GDADRO O=C(CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822964162 607174958 /nfs/dbraw/zinc/17/49/58/607174958.db2.gz FLUCQIQCLQCYDG-CYBMUJFWSA-N 1 0 385.453 1.805 20 0 GDADRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820994817 607177138 /nfs/dbraw/zinc/17/71/38/607177138.db2.gz KZYHJKDHTUIYDR-MAUKXSAKSA-N 1 0 399.499 1.238 20 0 GDADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 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PINIJWDRECMKPD-ZWKOTPCHSA-N 1 0 399.499 1.386 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(c2ccccn2)CC1 ZINC000826504288 607816442 /nfs/dbraw/zinc/81/64/42/607816442.db2.gz SCYHEHXDBQWEFW-KRWDZBQOSA-N 1 0 380.452 1.881 20 0 GDADRO O=S(=O)(CCN1CC[C@H](C[NH+]2CCCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484934 607829338 /nfs/dbraw/zinc/82/93/38/607829338.db2.gz VHNBJDHEWFWRLC-OAHLLOKOSA-N 1 0 390.513 1.058 20 0 GDADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000823972478 607857899 /nfs/dbraw/zinc/85/78/99/607857899.db2.gz BZYNTNSBNRGQAC-LBPRGKRZSA-N 1 0 391.863 1.259 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(-n2ccnn2)cc1 ZINC000824585055 607911234 /nfs/dbraw/zinc/91/12/34/607911234.db2.gz MROCCASRGWNXEN-STQMWFEESA-N 1 0 391.443 1.036 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)c1-c1nn[nH]n1 ZINC000826077688 608019530 /nfs/dbraw/zinc/01/95/30/608019530.db2.gz QPIKHTUOJXLBCL-ZIAGYGMSSA-N 1 0 396.455 1.493 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc(C(C)(C)C)s2)c1-c1nn[nH]n1 ZINC000826083077 608019850 /nfs/dbraw/zinc/01/98/50/608019850.db2.gz IAUIXRIAZINSLG-UHFFFAOYSA-N 1 0 389.489 1.748 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C=C(C)c2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000826077530 608020655 /nfs/dbraw/zinc/02/06/55/608020655.db2.gz LEAYKDOSNHKZDC-KHPPLWFESA-N 1 0 384.419 1.923 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1-c1nn[nH]n1 ZINC000826077753 608020690 /nfs/dbraw/zinc/02/06/90/608020690.db2.gz UAJFXBNAPURCEK-UHFFFAOYSA-N 1 0 397.418 1.543 20 0 GDADRO CCc1noc(CC)c1CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825777183 608020876 /nfs/dbraw/zinc/02/08/76/608020876.db2.gz PQXKPRSRCDFJRS-UHFFFAOYSA-N 1 0 387.448 1.036 20 0 GDADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C[C@H]1O ZINC000825210689 608044956 /nfs/dbraw/zinc/04/49/56/608044956.db2.gz IWVCQSOCNUPJNU-DGCLKSJQSA-N 1 0 390.513 1.838 20 0 GDADRO Fc1ccc(C2(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CC2)c(F)c1 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GDADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)CNc3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC000824954479 608220970 /nfs/dbraw/zinc/22/09/70/608220970.db2.gz KGMWIAHRMNVAAI-MRXNPFEDSA-N 1 0 398.515 1.644 20 0 GDADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CNc3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC000824954476 608220988 /nfs/dbraw/zinc/22/09/88/608220988.db2.gz KGMWIAHRMNVAAI-INIZCTEOSA-N 1 0 398.515 1.644 20 0 GDADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824377495 608258280 /nfs/dbraw/zinc/25/82/80/608258280.db2.gz GDJYXDBENHUWFA-IRXDYDNUSA-N 1 0 382.472 1.952 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CC[N@H+](C[C@@H](O)c3ccccc3)[C@@H](C)C2)n1 ZINC000826274718 608283650 /nfs/dbraw/zinc/28/36/50/608283650.db2.gz BWQMDGCHYZSYJC-MAUKXSAKSA-N 1 0 379.468 1.814 20 0 GDADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000824976070 608306506 /nfs/dbraw/zinc/30/65/06/608306506.db2.gz MVBYAFAOJCLXFA-KBPBESRZSA-N 1 0 395.471 1.727 20 0 GDADRO 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/nfs/dbraw/zinc/53/41/81/608534181.db2.gz NULWEEKZIFEPTA-UHFFFAOYSA-N 1 0 380.427 1.943 20 0 GDADRO OCCC[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826508885 608537199 /nfs/dbraw/zinc/53/71/99/608537199.db2.gz FIWDWJMEKQMAGO-PKOBYXMFSA-N 1 0 383.452 1.710 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000824569463 608559658 /nfs/dbraw/zinc/55/96/58/608559658.db2.gz IDTMGUWYTJARQS-UGSOOPFHSA-N 1 0 376.424 1.832 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2ccnn2)cc1 ZINC000824564412 608559919 /nfs/dbraw/zinc/55/99/19/608559919.db2.gz SXBUMWCUZGITFO-ZDUSSCGKSA-N 1 0 389.423 1.737 20 0 GDADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826029001 608563687 /nfs/dbraw/zinc/56/36/87/608563687.db2.gz MAPPBKOVGYLCBE-UHFFFAOYSA-N 1 0 396.904 1.769 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000826327427 608595949 /nfs/dbraw/zinc/59/59/49/608595949.db2.gz 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Cc1cc(N2CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)C2=O)ccc1Br ZINC000567825448 650922407 /nfs/dbraw/zinc/92/24/07/650922407.db2.gz NTLVTFBJBBLDEO-NEPJUHHUSA-N 1 0 390.228 1.962 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2([NH3+])CCCCC2)c1OC ZINC000567850357 650924088 /nfs/dbraw/zinc/92/40/88/650924088.db2.gz VZNJIBYESHDVGE-UHFFFAOYSA-N 1 0 389.905 1.648 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000567872464 650926004 /nfs/dbraw/zinc/92/60/04/650926004.db2.gz XIEDGCYYFKHCMR-SDJAHQOYSA-N 1 0 380.286 1.665 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000567872463 650926061 /nfs/dbraw/zinc/92/60/61/650926061.db2.gz XIEDGCYYFKHCMR-QPKOPYBWSA-N 1 0 380.286 1.665 20 0 GDADRO Cc1ccc(C[C@@H](CO)C[NH2+]C[C@H](C)S(C)(=O)=O)cc1Br ZINC000567873276 650926067 /nfs/dbraw/zinc/92/60/67/650926067.db2.gz QXNZHRIIPFMCLZ-GXTWGEPZSA-N 1 0 378.332 1.931 20 0 GDADRO Cn1c(Cl)c(Cl)cc1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000068497573 644564026 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388.917 1.984 20 0 GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000378027217 645863542 /nfs/dbraw/zinc/86/35/42/645863542.db2.gz SSJUXTAFLFVJET-NWDGAFQWSA-N 1 0 380.491 1.918 20 0 GDADRO CSc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CCCO)C2)ccc1Cl ZINC000411573783 645885784 /nfs/dbraw/zinc/88/57/84/645885784.db2.gz UADDTADKHRAMNQ-ZDUSSCGKSA-N 1 0 385.917 1.963 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000570740424 651053394 /nfs/dbraw/zinc/05/33/94/651053394.db2.gz PWLHGJLPOWDWLV-ZDUSSCGKSA-N 1 0 390.575 1.754 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC[NH2+]1 ZINC000415418865 645893128 /nfs/dbraw/zinc/89/31/28/645893128.db2.gz SMCBAUKDPPTKGA-VIFPVBQESA-N 1 0 383.239 1.333 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(I)cn1 ZINC000415507192 645894696 /nfs/dbraw/zinc/89/46/96/645894696.db2.gz UYPBBWQGPRWVAP-SNVBAGLBSA-N 1 0 390.225 1.258 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415533368 645896827 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PKBYVLCJDYJDGP-JTQLQIEISA-N 1 0 390.269 1.875 20 0 GDADRO C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C1CC[NH+](C)CC1 ZINC000603324572 652699625 /nfs/dbraw/zinc/69/96/25/652699625.db2.gz YHPLRJVZXCBHOI-SNVBAGLBSA-N 1 0 379.935 1.526 20 0 GDADRO COC(=O)C1CCN(S(=O)(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000603417636 652713600 /nfs/dbraw/zinc/71/36/00/652713600.db2.gz NRQJYXFRPXXNAG-UHFFFAOYSA-N 1 0 375.535 1.314 20 0 GDADRO CS[C@H]1CN(C(=O)c2ncc(I)s2)C[C@@H]1[NH+](C)C ZINC000603431326 652717785 /nfs/dbraw/zinc/71/77/85/652717785.db2.gz LUMMNXGHUOACPY-YUMQZZPRSA-N 1 0 397.307 1.865 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@H]1C ZINC000607125863 652789192 /nfs/dbraw/zinc/78/91/92/652789192.db2.gz XAXIHQVJAAEEHB-GHMZBOCLSA-N 1 0 387.278 1.043 20 0 GDADRO C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C[C@H]1[NH+](C)C ZINC000607972400 652809300 /nfs/dbraw/zinc/80/93/00/652809300.db2.gz DYUFULFETOIDGQ-GHMZBOCLSA-N 1 0 379.935 1.431 20 0 GDADRO O=C(Nc1cc(I)ccc1O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000611204700 652911151 /nfs/dbraw/zinc/91/11/51/652911151.db2.gz SUSWXVRFFQOTFA-LBPRGKRZSA-N 1 0 387.221 1.325 20 0 GDADRO CS[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C[C@@H]1[NH+](C)C ZINC000611217407 652911743 /nfs/dbraw/zinc/91/17/43/652911743.db2.gz QVIFERZHQHFASL-HOTGVXAUSA-N 1 0 383.539 1.245 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)C[C@H]1[NH+](C)C ZINC000611243053 652912006 /nfs/dbraw/zinc/91/20/06/652912006.db2.gz VOMNIWNFUZURAX-MPKXVKKWSA-N 1 0 391.584 1.611 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(CCNC(C)=O)cc2)C[C@H]1[NH+](C)C ZINC000611243041 652912131 /nfs/dbraw/zinc/91/21/31/652912131.db2.gz UALOYYAQMMPNCK-IAGOWNOFSA-N 1 0 385.555 1.031 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612600078 652939668 /nfs/dbraw/zinc/93/96/68/652939668.db2.gz DXONSBUMKPOTLN-CYBMUJFWSA-N 1 0 385.917 1.729 20 0 GDADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612981415 652948526 /nfs/dbraw/zinc/94/85/26/652948526.db2.gz ALDDXCCZZBBJSE-HNNXBMFYSA-N 1 0 385.917 1.945 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1c(Cl)cnn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000613011760 652949462 /nfs/dbraw/zinc/94/94/62/652949462.db2.gz IETHCASLTACCSB-GFCCVEGCSA-N 1 0 376.910 1.045 20 0 GDADRO NS(=O)(=O)c1ccsc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000613240006 652956434 /nfs/dbraw/zinc/95/64/34/652956434.db2.gz AEVQJOIMPGHOSM-UHFFFAOYSA-N 1 0 380.495 1.437 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000614859842 652960481 /nfs/dbraw/zinc/96/04/81/652960481.db2.gz SHJZRUOMYPSJSD-SNVBAGLBSA-N 1 0 394.107 1.793 20 0 GDADRO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000614597461 652960844 /nfs/dbraw/zinc/96/08/44/652960844.db2.gz OXGRFVLNGLDKPI-GJZGRUSLSA-N 1 0 387.571 1.665 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000617412533 652973953 /nfs/dbraw/zinc/97/39/53/652973953.db2.gz NDDDXMCUVBKCBJ-LLVKDONJSA-N 1 0 380.242 1.256 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 ZINC000617414668 652973969 /nfs/dbraw/zinc/97/39/69/652973969.db2.gz OGCJJMYTFFDLMZ-CYBMUJFWSA-N 1 0 396.285 1.775 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000617415178 652974045 /nfs/dbraw/zinc/97/40/45/652974045.db2.gz ZLAVLRWUKSTOGX-GFCCVEGCSA-N 1 0 382.258 1.385 20 0 GDADRO C[C@@H](CCNC(=O)CNS(=O)(=O)c1cccc(Br)c1)[NH+](C)C ZINC000617745978 652976130 /nfs/dbraw/zinc/97/61/30/652976130.db2.gz ZVAHKJKUXBOMRE-NSHDSACASA-N 1 0 392.319 1.184 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000617766985 652976339 /nfs/dbraw/zinc/97/63/39/652976339.db2.gz BIUYICNIXXKCHE-UHFFFAOYSA-N 1 0 390.937 1.325 20 0 GDADRO CC(C)[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC[NH2+]1 ZINC000621148459 652996268 /nfs/dbraw/zinc/99/62/68/652996268.db2.gz PPYACJHAOFLOCR-OAHLLOKOSA-N 1 0 385.555 1.532 20 0 GDADRO O=C(CC[C@@H]1CCC[NH2+]C1)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000621664311 652998506 /nfs/dbraw/zinc/99/85/06/652998506.db2.gz QQYZGTQOHAGAJJ-LBPRGKRZSA-N 1 0 375.441 1.139 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc3c(cc1Br)NC(=O)CO3)C2 ZINC000621681459 652998819 /nfs/dbraw/zinc/99/88/19/652998819.db2.gz SEFLXPLHGTXAIG-FVMDXXJSSA-N 1 0 380.242 1.733 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000621906257 653000142 /nfs/dbraw/zinc/00/01/42/653000142.db2.gz BTWGODYBTVDELU-LBPRGKRZSA-N 1 0 385.306 1.553 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622012533 653000866 /nfs/dbraw/zinc/00/08/66/653000866.db2.gz DDLFHPMZVNFNCE-IINYFYTJSA-N 1 0 375.288 1.960 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCc3cc(Br)ccc3C1)C2 ZINC000622029790 653000986 /nfs/dbraw/zinc/00/09/86/653000986.db2.gz LKSUHMXVUHBNGY-KSSFIOAISA-N 1 0 392.297 1.674 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1C[C@H]3CCC[C@@]3([NH3+])C1)C2 ZINC000622031109 653000989 /nfs/dbraw/zinc/00/09/89/653000989.db2.gz HNXSOIZIWUEYNJ-FZKQIMNGSA-N 1 0 392.297 1.940 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Br)ccc2-n2cnnn2)C[C@H]1C ZINC000622835216 653001860 /nfs/dbraw/zinc/00/18/60/653001860.db2.gz LURSWCNGHCBWQU-NEPJUHHUSA-N 1 0 393.289 1.980 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1-n1cnnn1 ZINC000623017379 653003034 /nfs/dbraw/zinc/00/30/34/653003034.db2.gz OHDDWGSTNSHJAE-LLVKDONJSA-N 1 0 391.273 1.639 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Nc1ccc(Br)cc1Cl ZINC000623055288 653004123 /nfs/dbraw/zinc/00/41/23/653004123.db2.gz OBFDFDAQNJDUHZ-UHFFFAOYSA-N 1 0 389.681 1.998 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)ncc1Br ZINC000623445277 653004619 /nfs/dbraw/zinc/00/46/19/653004619.db2.gz JTEHIEABLXKTIH-SMDDNHRTSA-N 1 0 376.320 1.960 20 0 GDADRO CN(CCCNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000624063236 653009888 /nfs/dbraw/zinc/00/98/88/653009888.db2.gz KUFDSPICOUHWTE-MRXNPFEDSA-N 1 0 387.933 1.702 20 0 GDADRO C[C@@H]1CCCc2nc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)cn21 ZINC000624391616 653011881 /nfs/dbraw/zinc/01/18/81/653011881.db2.gz AAJLUOCZTHXDSG-UTUOFQBUSA-N 1 0 380.436 1.928 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc3c(cc1Cl)CCC(=O)N3)C2 ZINC000624412682 653012573 /nfs/dbraw/zinc/01/25/73/653012573.db2.gz HKILOQIXOYUBBQ-CALCHBBNSA-N 1 0 383.901 1.845 20 0 GDADRO CCOC1(CS(=O)(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CCOCC1 ZINC000625081417 653017302 /nfs/dbraw/zinc/01/73/02/653017302.db2.gz PFQKJIJRHSRMBG-QGZVFWFLSA-N 1 0 376.563 1.860 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1csc(C(F)(F)F)c1 ZINC000625663574 653039815 /nfs/dbraw/zinc/03/98/15/653039815.db2.gz AMENBJIEMVYUCC-ZDUSSCGKSA-N 1 0 377.432 1.903 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(SC)c(Br)c1 ZINC000626833974 653061760 /nfs/dbraw/zinc/06/17/60/653061760.db2.gz DVHSFSNNZMFVQW-UHFFFAOYSA-N 1 0 390.303 1.462 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000626881381 653062138 /nfs/dbraw/zinc/06/21/38/653062138.db2.gz PVYFMSFRGBAGMT-NSHDSACASA-N 1 0 392.253 1.645 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000626881833 653062205 /nfs/dbraw/zinc/06/22/05/653062205.db2.gz ZQCCDONAPNWHJM-VIFPVBQESA-N 1 0 376.638 1.146 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)C[NH2+]1 ZINC000626891884 653063556 /nfs/dbraw/zinc/06/35/56/653063556.db2.gz CPHQGHHFDNCGRF-BXUZGUMPSA-N 1 0 397.317 1.706 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCCOCCC[NH3+])cc1Cl ZINC000626892487 653063583 /nfs/dbraw/zinc/06/35/83/653063583.db2.gz FFDFDGHBVILZPU-UHFFFAOYSA-N 1 0 378.256 1.812 20 0 GDADRO [NH3+]CCCOCCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000626894459 653064021 /nfs/dbraw/zinc/06/40/21/653064021.db2.gz GFLVGEIXPHGGAY-UHFFFAOYSA-N 1 0 396.644 1.662 20 0 GDADRO O=C(NCCNC(=O)c1cccc(Br)c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000626961404 653065675 /nfs/dbraw/zinc/06/56/75/653065675.db2.gz BIWKPDJNHZROCU-AWEZNQCLSA-N 1 0 395.301 1.763 20 0 GDADRO CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000626985713 653066089 /nfs/dbraw/zinc/06/60/89/653066089.db2.gz VFRXGKSVLZOTEM-XQHKEYJVSA-N 1 0 385.452 1.511 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000627018493 653066975 /nfs/dbraw/zinc/06/69/75/653066975.db2.gz ZAQNMUSFFCIWPO-ONGXEEELSA-N 1 0 399.460 1.820 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)C[NH2+]1 ZINC000627203825 653068775 /nfs/dbraw/zinc/06/87/75/653068775.db2.gz ZJXLFHPPFBGVJZ-XUJVJEKNSA-N 1 0 395.301 1.772 20 0 GDADRO CN(C(=O)NCCOCCC[NH3+])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000627218105 653068887 /nfs/dbraw/zinc/06/88/87/653068887.db2.gz MIQJTHOJTNYPBS-HUUCEWRRSA-N 1 0 376.284 1.958 20 0 GDADRO COc1ccc(Br)c(CC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000627260632 653069689 /nfs/dbraw/zinc/06/96/89/653069689.db2.gz LINDGJBBQCLELN-KBPBESRZSA-N 1 0 383.286 1.668 20 0 GDADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627266845 653070465 /nfs/dbraw/zinc/07/04/65/653070465.db2.gz GTWDBMNDTUJRCK-WDEREUQCSA-N 1 0 380.798 1.531 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C[NH2+]1 ZINC000627315166 653071955 /nfs/dbraw/zinc/07/19/55/653071955.db2.gz YFLWDILALVINMT-JOYOIKCWSA-N 1 0 375.803 1.814 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)c1 ZINC000627316859 653072166 /nfs/dbraw/zinc/07/21/66/653072166.db2.gz XFLFJMOIGGNUGS-HNNXBMFYSA-N 1 0 382.302 1.830 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc(Br)ccc1OC ZINC000627339015 653072757 /nfs/dbraw/zinc/07/27/57/653072757.db2.gz XDKWLKCDYLNRSW-QWHCGFSZSA-N 1 0 384.274 1.331 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627339665 653072829 /nfs/dbraw/zinc/07/28/29/653072829.db2.gz NJGXFPHKQLXXIZ-AWEZNQCLSA-N 1 0 396.285 1.475 20 0 GDADRO CC(C)(CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000627353130 653073403 /nfs/dbraw/zinc/07/34/03/653073403.db2.gz SEJMGRATBMESTM-LBPRGKRZSA-N 1 0 388.295 1.492 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000627360995 653073563 /nfs/dbraw/zinc/07/35/63/653073563.db2.gz BXXQFKQZFHEIIW-ZYHUDNBSSA-N 1 0 384.274 1.331 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000627375131 653074094 /nfs/dbraw/zinc/07/40/94/653074094.db2.gz MJESWGRBZNXGTG-BYCMXARLSA-N 1 0 398.301 1.589 20 0 GDADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000627407981 653074620 /nfs/dbraw/zinc/07/46/20/653074620.db2.gz LCNHTZGGIYJBMV-FZMZJTMJSA-N 1 0 380.286 1.489 20 0 GDADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000627426538 653075254 /nfs/dbraw/zinc/07/52/54/653075254.db2.gz XXCUSZFBUQFRFU-WHOFXGATSA-N 1 0 380.286 1.632 20 0 GDADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627488713 653075786 /nfs/dbraw/zinc/07/57/86/653075786.db2.gz HBFOBWRDJPKUHW-LLVKDONJSA-N 1 0 376.284 1.994 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@H]21 ZINC000627648406 653077027 /nfs/dbraw/zinc/07/70/27/653077027.db2.gz JJGNUDYAIADSPV-CTASWTNQSA-N 1 0 383.539 1.310 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000627981401 653082491 /nfs/dbraw/zinc/08/24/91/653082491.db2.gz WAWHOGNUUFAYRT-SNVBAGLBSA-N 1 0 379.766 1.480 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627982549 653082794 /nfs/dbraw/zinc/08/27/94/653082794.db2.gz PGDZZXFIMRYPRW-SNVBAGLBSA-N 1 0 388.237 1.018 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1ccc(Cl)cc1Br ZINC000628104721 653089721 /nfs/dbraw/zinc/08/97/21/653089721.db2.gz BUDSPKWCGITZTP-JTQLQIEISA-N 1 0 390.665 1.224 20 0 GDADRO CN1CC(=O)N(CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000628968824 653128802 /nfs/dbraw/zinc/12/88/02/653128802.db2.gz RFDXXTMMQOHYEM-ZDUSSCGKSA-N 1 0 387.267 1.606 20 0 GDADRO CCS(=O)(=O)NCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628969646 653128976 /nfs/dbraw/zinc/12/89/76/653128976.db2.gz WITBUTLXAKAKCA-ZDUSSCGKSA-N 1 0 382.313 1.652 20 0 GDADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2nn(C)cc2Br)CC1 ZINC000629414782 653164585 /nfs/dbraw/zinc/16/45/85/653164585.db2.gz GLWWQADHIJBTIM-UHFFFAOYSA-N 1 0 385.306 1.900 20 0 GDADRO C[C@H](NCC1([NH3+])CCOCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000629518665 653168258 /nfs/dbraw/zinc/16/82/58/653168258.db2.gz AQOWKRUEKCNGRQ-JTQLQIEISA-N 1 0 392.319 1.255 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC[C@H](O)C[NH+]2CCCC2)s1 ZINC000629554594 653171931 /nfs/dbraw/zinc/17/19/31/653171931.db2.gz MDSIEAOEVUDIMQ-AWEZNQCLSA-N 1 0 375.560 1.325 20 0 GDADRO COc1cccc(S(=O)(=O)CCN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629564373 653172288 /nfs/dbraw/zinc/17/22/88/653172288.db2.gz TTXTWRJRBGGTLL-WFASDCNBSA-N 1 0 380.432 1.928 20 0 GDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC(Cc2ccccc2Br)C1 ZINC000629605105 653176901 /nfs/dbraw/zinc/17/69/01/653176901.db2.gz GVAXHSMTODROEJ-QGZVFWFLSA-N 1 0 378.314 1.840 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000629804733 653183359 /nfs/dbraw/zinc/18/33/59/653183359.db2.gz HZWDUCIDPSDLPB-UHFFFAOYSA-N 1 0 388.295 1.573 20 0 GDADRO COc1ccc(C[NH2+]CCCN2CCCS2(=O)=O)c(Br)c1O ZINC000631187970 653230872 /nfs/dbraw/zinc/23/08/72/653230872.db2.gz CHYJOUCYJSIFBS-UHFFFAOYSA-N 1 0 393.303 1.679 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)c(=O)n(C)c1=O ZINC000631221522 653231622 /nfs/dbraw/zinc/23/16/22/653231622.db2.gz HEDRCQJQHMKGGL-RRFJBIMHSA-N 1 0 376.254 1.274 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1Br ZINC000631299047 653234128 /nfs/dbraw/zinc/23/41/28/653234128.db2.gz TWBMNMWUPSHAJA-GFCCVEGCSA-N 1 0 385.287 1.918 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1c(C)nn2cc(Br)cnc12 ZINC000631636595 653241090 /nfs/dbraw/zinc/24/10/90/653241090.db2.gz FNRMZOBSYXCSBS-UHFFFAOYSA-N 1 0 390.307 1.420 20 0 GDADRO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000631695926 653244297 /nfs/dbraw/zinc/24/42/97/653244297.db2.gz CQRGMCLPINKDNE-SWLSCSKDSA-N 1 0 378.441 1.374 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2ccc(Br)s2)CC1 ZINC000631721202 653246407 /nfs/dbraw/zinc/24/64/07/653246407.db2.gz BPQHWHIGSCJINA-UHFFFAOYSA-N 1 0 396.376 1.568 20 0 GDADRO CC(F)(F)CCS(=O)(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000631730335 653247564 /nfs/dbraw/zinc/24/75/64/653247564.db2.gz RDFNOPZGOQRPKL-UHFFFAOYSA-N 1 0 375.485 1.769 20 0 GDADRO CC(C)CCOC1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631762162 653250704 /nfs/dbraw/zinc/25/07/04/653250704.db2.gz HSAAAWNJHBDCEW-UHFFFAOYSA-N 1 0 375.579 1.481 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000631813931 653256583 /nfs/dbraw/zinc/25/65/83/653256583.db2.gz WZZWCOFFRAWMAX-QGZVFWFLSA-N 1 0 389.949 1.584 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000631897353 653264105 /nfs/dbraw/zinc/26/41/05/653264105.db2.gz UYPKGOJKVZPGRX-UHFFFAOYSA-N 1 0 391.896 1.518 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000631901274 653265019 /nfs/dbraw/zinc/26/50/19/653265019.db2.gz XHHUCMVIKHMZTO-UHFFFAOYSA-N 1 0 388.291 1.160 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631914740 653268805 /nfs/dbraw/zinc/26/88/05/653268805.db2.gz WJECSQAEBAMCOY-WFASDCNBSA-N 1 0 391.331 1.678 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000631914780 653268954 /nfs/dbraw/zinc/26/89/54/653268954.db2.gz XLSQWHWFTRNUTI-HUUCEWRRSA-N 1 0 389.315 1.904 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000631916631 653269573 /nfs/dbraw/zinc/26/95/73/653269573.db2.gz AIVDRNJIARBWAM-HIFRSBDPSA-N 1 0 376.425 1.573 20 0 GDADRO CC(C)(CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000631916682 653269990 /nfs/dbraw/zinc/26/99/90/653269990.db2.gz BNEVEBXKATVOFC-AWEZNQCLSA-N 1 0 391.331 1.635 20 0 GDADRO C[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631924305 653272077 /nfs/dbraw/zinc/27/20/77/653272077.db2.gz RNLWHYOSLMBDEO-WMLDXEAASA-N 1 0 387.933 1.337 20 0 GDADRO Cc1nc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)oc1-c1ccc(Cl)cc1 ZINC000631926475 653272367 /nfs/dbraw/zinc/27/23/67/653272367.db2.gz ZAXJXKGQFAMYSZ-CQSZACIVSA-N 1 0 385.873 1.711 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000631934836 653274130 /nfs/dbraw/zinc/27/41/30/653274130.db2.gz LXHHTEXQFJYFSS-LDYMZIIASA-N 1 0 388.291 1.077 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000631935614 653274250 /nfs/dbraw/zinc/27/42/50/653274250.db2.gz XLBKXSPLMWQTOD-KWQFWETISA-N 1 0 388.291 1.077 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000631934833 653274298 /nfs/dbraw/zinc/27/42/98/653274298.db2.gz LXHHTEXQFJYFSS-GZMMTYOYSA-N 1 0 388.291 1.077 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)Cc2ncsc2Br)C[C@H]1C[NH3+] ZINC000631947486 653276666 /nfs/dbraw/zinc/27/66/66/653276666.db2.gz FMSTWSZIICVPHP-PSASIEDQSA-N 1 0 384.321 1.031 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C[C@H]1C[NH3+] ZINC000631965881 653280414 /nfs/dbraw/zinc/28/04/14/653280414.db2.gz JKAXLPFJUMZQPI-CHWSQXEVSA-N 1 0 387.571 1.668 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000632071492 653300275 /nfs/dbraw/zinc/30/02/75/653300275.db2.gz AYBIBHBVSUYRAB-CQSZACIVSA-N 1 0 381.420 1.277 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)F)o2)CC1 ZINC000632112663 653308074 /nfs/dbraw/zinc/30/80/74/653308074.db2.gz FBQZUTMDMDWQAN-NSHDSACASA-N 1 0 377.413 1.144 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000632186165 653313028 /nfs/dbraw/zinc/31/30/28/653313028.db2.gz PDURPQTWIMBUPO-AWEZNQCLSA-N 1 0 377.869 1.456 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000632186677 653313475 /nfs/dbraw/zinc/31/34/75/653313475.db2.gz VUEAVGBCPQGCJW-LBPRGKRZSA-N 1 0 383.539 1.951 20 0 GDADRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)c3c[nH]c(=O)s3)cc2)CC1 ZINC000632317377 653333414 /nfs/dbraw/zinc/33/34/14/653333414.db2.gz QSBJTVQVEHONPS-UHFFFAOYSA-N 1 0 383.495 1.800 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000632358207 653344830 /nfs/dbraw/zinc/34/48/30/653344830.db2.gz KGHMISXMIQBYAV-VIFPVBQESA-N 1 0 390.307 1.276 20 0 GDADRO O=C(CNS(=O)(=O)C[C@@H]1CCC(F)(F)C1)NCC[NH+]1CCCCCC1 ZINC000632363370 653346083 /nfs/dbraw/zinc/34/60/83/653346083.db2.gz LVVZJVHJQJEBKR-CQSZACIVSA-N 1 0 381.489 1.333 20 0 GDADRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)[C@@H](C)C1 ZINC000632450333 653359706 /nfs/dbraw/zinc/35/97/06/653359706.db2.gz YRHXTEABUGINRB-AWEZNQCLSA-N 1 0 389.543 1.008 20 0 GDADRO O=S(=O)(c1ccc(F)c(F)c1F)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632451851 653360308 /nfs/dbraw/zinc/36/03/08/653360308.db2.gz CNZLWVYHUCEHQJ-UHFFFAOYSA-N 1 0 378.416 1.979 20 0 GDADRO CN1CC[C@H](N2CCC(NS(=O)(=O)c3cc(F)ccc3Cl)CC2)C1=O ZINC000632490836 653362295 /nfs/dbraw/zinc/36/22/95/653362295.db2.gz RUCVLORQPZVSSN-AWEZNQCLSA-N 1 0 389.880 1.453 20 0 GDADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000632638991 653390249 /nfs/dbraw/zinc/39/02/49/653390249.db2.gz GHAJVAUDRKIWNW-HNNXBMFYSA-N 1 0 378.560 1.091 20 0 GDADRO CC(C)Oc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)ccc1Br ZINC000633007415 653419243 /nfs/dbraw/zinc/41/92/43/653419243.db2.gz XCWFHSQUSFJCIZ-ZWNOBZJWSA-N 1 0 384.274 1.980 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633031221 653422209 /nfs/dbraw/zinc/42/22/09/653422209.db2.gz IZSWNZPXWQFZNB-AOOOYVTPSA-N 1 0 379.873 1.703 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633032252 653422593 /nfs/dbraw/zinc/42/25/93/653422593.db2.gz FIQVMGOENDXVPA-TXEJJXNPSA-N 1 0 382.258 1.749 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)c(Cl)cc1Br ZINC000633037762 653423022 /nfs/dbraw/zinc/42/30/22/653423022.db2.gz VAPRURXSYWBMKN-JGVFFNPUSA-N 1 0 390.665 1.998 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1Cl ZINC000633039252 653423095 /nfs/dbraw/zinc/42/30/95/653423095.db2.gz BVCFBUMPAQGVKT-ZJUUUORDSA-N 1 0 390.267 1.905 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000633041674 653423848 /nfs/dbraw/zinc/42/38/48/653423848.db2.gz OJAOODKGCJFSKR-DGCLKSJQSA-N 1 0 395.301 1.936 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc(OC)c1Br ZINC000633043241 653423888 /nfs/dbraw/zinc/42/38/88/653423888.db2.gz YTOQNGDFMTZENA-RKDXNWHRSA-N 1 0 386.246 1.353 20 0 GDADRO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000633103594 653427595 /nfs/dbraw/zinc/42/75/95/653427595.db2.gz TWVAVGAHYANORG-SGMGOOAPSA-N 1 0 379.258 1.080 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000633103246 653427634 /nfs/dbraw/zinc/42/76/34/653427634.db2.gz PNIDZEVYDBUTFF-ZDUSSCGKSA-N 1 0 386.265 1.886 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)C2 ZINC000633114229 653428885 /nfs/dbraw/zinc/42/88/85/653428885.db2.gz WBVPQZCZQDJDHZ-MLGOLLRUSA-N 1 0 394.313 1.838 20 0 GDADRO CC1([NH+]2CCOCC2)CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000633684305 653461496 /nfs/dbraw/zinc/46/14/96/653461496.db2.gz OOYMGTSYXOHQLL-UHFFFAOYSA-N 1 0 398.301 1.936 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000633977916 653481086 /nfs/dbraw/zinc/48/10/86/653481086.db2.gz IGHIBNCVNHAKQZ-UHFFFAOYSA-N 1 0 385.306 1.834 20 0 GDADRO Cn1ncc(Br)c1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634195138 653488311 /nfs/dbraw/zinc/48/83/11/653488311.db2.gz ZHRRFVZTKBKDHH-UHFFFAOYSA-N 1 0 379.262 1.582 20 0 GDADRO C[C@](O)(C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)C1CC1 ZINC000634641750 653495634 /nfs/dbraw/zinc/49/56/34/653495634.db2.gz YLXCJTALBUJJPN-RDJZCZTQSA-N 1 0 388.555 1.403 20 0 GDADRO C[C@@](O)(C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)C1CC1 ZINC000634641748 653495738 /nfs/dbraw/zinc/49/57/38/653495738.db2.gz YLXCJTALBUJJPN-DOTOQJQBSA-N 1 0 388.555 1.403 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000635264549 653510879 /nfs/dbraw/zinc/51/08/79/653510879.db2.gz IHKPCVLMCFWSJR-UHFFFAOYSA-N 1 0 394.273 1.499 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)NCC1(CO)COC1)c1ccc(Cl)c(Cl)c1 ZINC000637473613 653529517 /nfs/dbraw/zinc/52/95/17/653529517.db2.gz MBNVPDYCEIZELR-AWEZNQCLSA-N 1 0 376.284 1.904 20 0 GDADRO COC[C@@]1(C(=O)NCCNC(=O)c2ccc(Br)cc2)CCCC[NH2+]1 ZINC000637940571 653532547 /nfs/dbraw/zinc/53/25/47/653532547.db2.gz DSZRTTGUJODPAS-QGZVFWFLSA-N 1 0 398.301 1.454 20 0 GDADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000637942869 653532764 /nfs/dbraw/zinc/53/27/64/653532764.db2.gz WBHDERXKQLHIBB-BBRMVZONSA-N 1 0 384.274 1.062 20 0 GDADRO C[NH+](C)[C@H]1CCCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000638013788 653534495 /nfs/dbraw/zinc/53/44/95/653534495.db2.gz HBVOFXGTFXVVGI-LBPRGKRZSA-N 1 0 376.320 1.623 20 0 GDADRO [NH3+]Cc1ncc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)cn1 ZINC000638059262 653535271 /nfs/dbraw/zinc/53/52/71/653535271.db2.gz UTUPDUVOJAJONK-UHFFFAOYSA-N 1 0 392.257 1.787 20 0 GDADRO O=C(CN1CC[NH2+]CC1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000638078066 653535888 /nfs/dbraw/zinc/53/58/88/653535888.db2.gz ZAJCZMQJRQDGHT-CQSZACIVSA-N 1 0 381.318 1.297 20 0 GDADRO [NH3+]Cc1ncc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cn1 ZINC000638110384 653536740 /nfs/dbraw/zinc/53/67/40/653536740.db2.gz LFXAILDFHYRIJA-GFCCVEGCSA-N 1 0 376.258 1.707 20 0 GDADRO O=C(CN1CC[NH2+]CC1)NCc1ccc(Br)cc1C(F)(F)F ZINC000638274294 653537536 /nfs/dbraw/zinc/53/75/36/653537536.db2.gz FFYQXOXILNESMF-UHFFFAOYSA-N 1 0 380.208 1.989 20 0 GDADRO CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000638545901 653539331 /nfs/dbraw/zinc/53/93/31/653539331.db2.gz AGKISVCOYZJZIO-AAEUAGOBSA-N 1 0 379.404 1.194 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638549290 653539486 /nfs/dbraw/zinc/53/94/86/653539486.db2.gz HEXICDQRRWQOKZ-HBNTYKKESA-N 1 0 399.460 1.401 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CC[C@@H]1C(F)(F)F ZINC000638549368 653539593 /nfs/dbraw/zinc/53/95/93/653539593.db2.gz HOYAJZNNZQFVNB-KOLCDFICSA-N 1 0 396.207 1.597 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C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639237407 653548158 /nfs/dbraw/zinc/54/81/58/653548158.db2.gz DZPUHGCNQLIJMQ-GWCFXTLKSA-N 1 0 393.303 1.068 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCNC(=O)C2)cc1Br ZINC000639251302 653548269 /nfs/dbraw/zinc/54/82/69/653548269.db2.gz JAXHFGZRUQCQKT-KBPBESRZSA-N 1 0 385.302 1.867 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639772674 653553169 /nfs/dbraw/zinc/55/31/69/653553169.db2.gz LFAQKPBFYFKAHI-CYBMUJFWSA-N 1 0 392.319 1.579 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639775403 653553551 /nfs/dbraw/zinc/55/35/51/653553551.db2.gz BBDAHZRGJFRKCJ-GJZGRUSLSA-N 1 0 388.306 1.236 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640297149 653557626 /nfs/dbraw/zinc/55/76/26/653557626.db2.gz HGDCLCHAAFONGO-SNVBAGLBSA-N 1 0 383.802 2.067 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(C[C@@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641197710 653562726 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CC[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000642682319 653579099 /nfs/dbraw/zinc/57/90/99/653579099.db2.gz ROORERVIRSUOLK-HIFRSBDPSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)Oc1ccccc1Br ZINC000642777885 653579261 /nfs/dbraw/zinc/57/92/61/653579261.db2.gz VWTQGUPUKCLGEP-STQMWFEESA-N 1 0 398.301 1.591 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000642918876 653579804 /nfs/dbraw/zinc/57/98/04/653579804.db2.gz GALNWXOGAUFQNU-UHFFFAOYSA-N 1 0 384.249 1.341 20 0 GDADRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000643345517 653581600 /nfs/dbraw/zinc/58/16/00/653581600.db2.gz NGDRBMCIGZPMDG-ZDUSSCGKSA-N 1 0 377.913 1.577 20 0 GDADRO CC(C)[C@H]1CN(C(=O)C(=O)N(C)Cc2csc(Br)c2)CC[NH2+]1 ZINC000643494832 653583124 /nfs/dbraw/zinc/58/31/24/653583124.db2.gz NGAAXAFWKOWPAL-GFCCVEGCSA-N 1 0 388.331 1.925 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCc4cc(Br)ccc4C3)C[C@@H]12 ZINC000643542283 653583423 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20 0 GDADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000644636438 653599840 /nfs/dbraw/zinc/59/98/40/653599840.db2.gz WPZIMLCDUNWKNA-GFCCVEGCSA-N 1 0 396.278 1.495 20 0 GDADRO CS(=O)(=O)NC1CC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644641257 653599861 /nfs/dbraw/zinc/59/98/61/653599861.db2.gz KJMPFJZWGLFAJM-HTAVTVPLSA-N 1 0 383.297 1.403 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(Br)s1 ZINC000645124129 653601632 /nfs/dbraw/zinc/60/16/32/653601632.db2.gz YUPXIZJTTZTUKL-SNVBAGLBSA-N 1 0 389.319 1.772 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCc1ccc(Br)cc1 ZINC000645230215 653601968 /nfs/dbraw/zinc/60/19/68/653601968.db2.gz PIHCFEMCYCQDKC-ZDUSSCGKSA-N 1 0 397.317 1.753 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000645618470 653604762 /nfs/dbraw/zinc/60/47/62/653604762.db2.gz KUTBOHNEBKDOQN-IAQYHMDHSA-N 1 0 396.285 1.697 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000645620455 653604826 /nfs/dbraw/zinc/60/48/26/653604826.db2.gz HBCJRLPTICDMBF-BXUZGUMPSA-N 1 0 396.285 1.949 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cccc(Br)c1 ZINC000645834413 653607193 /nfs/dbraw/zinc/60/71/93/653607193.db2.gz MPIAWPZHSMKXLS-LLVKDONJSA-N 1 0 390.303 1.190 20 0 GDADRO C[NH+](C)C1CC(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000646107599 653608817 /nfs/dbraw/zinc/60/88/17/653608817.db2.gz UOOVWCDTVJJURL-UHFFFAOYSA-N 1 0 379.258 1.368 20 0 GDADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646340759 653609689 /nfs/dbraw/zinc/60/96/89/653609689.db2.gz HYNPGXOIDCTXFR-TVQRCGJNSA-N 1 0 380.242 1.604 20 0 GDADRO O=C(Nc1cc(-c2ccc(Br)cc2)nn1CCO)[C@@H]1C[NH2+]CCO1 ZINC000646428968 653610290 /nfs/dbraw/zinc/61/02/90/653610290.db2.gz FIYUDASGOJQNTA-AWEZNQCLSA-N 1 0 395.257 1.232 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000646481496 653610441 /nfs/dbraw/zinc/61/04/41/653610441.db2.gz OBLBEUGTZNHTJK-WCQYABFASA-N 1 0 396.285 1.726 20 0 GDADRO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000646572060 653610958 /nfs/dbraw/zinc/61/09/58/653610958.db2.gz POSOMJILJATPJO-CABCVRRESA-N 1 0 387.571 1.965 20 0 GDADRO CN(CCC[NH3+])C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000646781544 653613472 /nfs/dbraw/zinc/61/34/72/653613472.db2.gz YLWIKSHHFQDBMM-UHFFFAOYSA-N 1 0 381.523 1.690 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCO1 ZINC000646844810 653614827 /nfs/dbraw/zinc/61/48/27/653614827.db2.gz AYUUZXKTMGXDBS-JVLSTEMRSA-N 1 0 386.279 1.921 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCO1 ZINC000646853242 653615073 /nfs/dbraw/zinc/61/50/73/653615073.db2.gz BUNPJLYTCISXQG-JVLSTEMRSA-N 1 0 386.279 1.921 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)CCO1 ZINC000646861445 653615221 /nfs/dbraw/zinc/61/52/21/653615221.db2.gz AXADTXBXHVTWDJ-BHDSKKPTSA-N 1 0 375.238 1.930 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)[C@@H]2C1 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CO[C@@H](CC(C)C)CS(=O)(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000660150679 654241512 /nfs/dbraw/zinc/24/15/12/654241512.db2.gz KVUJSYCMCJFWPR-IRXDYDNUSA-N 1 0 376.563 1.953 20 0 GDADRO CC(C)(CCS(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)S(C)(=O)=O ZINC000660178689 654244850 /nfs/dbraw/zinc/24/48/50/654244850.db2.gz GQEGRHWJCLFLBO-HNNXBMFYSA-N 1 0 380.576 1.241 20 0 GDADRO C[C@@H](NC(=O)C[NH2+]C1(C(N)=O)CCOCC1)c1ccc(Br)cc1 ZINC000661593643 654277420 /nfs/dbraw/zinc/27/74/20/654277420.db2.gz AZFJJEUXKKHGDQ-LLVKDONJSA-N 1 0 384.274 1.250 20 0 GDADRO O=C(NC[C@H]1CCCN(Cc2ncsc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000662263466 654291212 /nfs/dbraw/zinc/29/12/12/654291212.db2.gz BMGUYDYJOWONJT-VXGBXAGGSA-N 1 0 387.347 1.986 20 0 GDADRO [NH3+]CCN(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C[C@H](O)CO ZINC000662288872 654292077 /nfs/dbraw/zinc/29/20/77/654292077.db2.gz STMBEVJQTZVGCT-AWEZNQCLSA-N 1 0 375.416 1.943 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000662605663 654297619 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QPAKYWGSIOWCBB-AWEZNQCLSA-N 1 0 388.559 1.461 20 0 GDADRO CCC[N@H+](C)CC(C)(C)NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000664502613 654383924 /nfs/dbraw/zinc/38/39/24/654383924.db2.gz OBLHYJYVXHBWTD-UHFFFAOYSA-N 1 0 376.548 1.446 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C[C@@H]1O ZINC000664601121 654385237 /nfs/dbraw/zinc/38/52/37/654385237.db2.gz PBYHOSUDZXWAQF-RLCCDNCMSA-N 1 0 387.311 1.888 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000666104079 654420434 /nfs/dbraw/zinc/42/04/34/654420434.db2.gz ZPGQZRVFXXBEJD-HUUCEWRRSA-N 1 0 375.535 1.142 20 0 GDADRO C[C@@H]1CC[N@H+](CCNCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000666283249 654422475 /nfs/dbraw/zinc/42/24/75/654422475.db2.gz YURRQSYFRKEGES-LLVKDONJSA-N 1 0 376.320 1.528 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000666385471 654426929 /nfs/dbraw/zinc/42/69/29/654426929.db2.gz HYHZBCHYRGWKEM-OWCLPIDISA-N 1 0 375.535 1.094 20 0 GDADRO Cc1c(Br)ccnc1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000667167685 654444562 /nfs/dbraw/zinc/44/45/62/654444562.db2.gz ILVBHKDTTBKBKS-UHFFFAOYSA-N 1 0 386.294 1.636 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCO1 ZINC000667402923 654448466 /nfs/dbraw/zinc/44/84/66/654448466.db2.gz PRLFSMAGILGYPY-PELKAZGASA-N 1 0 379.766 1.872 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCO1 ZINC000667403642 654448862 /nfs/dbraw/zinc/44/88/62/654448862.db2.gz WRSOWIHTOUNSTQ-UFBFGSQYSA-N 1 0 390.665 1.616 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CCO1 ZINC000667480063 654451889 /nfs/dbraw/zinc/45/18/89/654451889.db2.gz CCHOKWDWHRHVRF-SSDOTTSWSA-N 1 0 394.628 1.366 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000769327458 654456120 /nfs/dbraw/zinc/45/61/20/654456120.db2.gz ZTIWHUGOCBHDSX-LSDHHAIUSA-N 1 0 386.949 1.873 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000667584502 654457573 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O=C(COc1ccc(Br)cc1F)N[C@H](CO)C[NH+]1CCCC1 ZINC000673529628 654576781 /nfs/dbraw/zinc/57/67/81/654576781.db2.gz ACIBIRYTWZTFKR-LBPRGKRZSA-N 1 0 375.238 1.540 20 0 GDADRO CC[C@@H](O)CCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773019355 654578355 /nfs/dbraw/zinc/57/83/55/654578355.db2.gz XQLYGLYBGOMHHA-CZUORRHYSA-N 1 0 392.543 1.614 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000773068470 654580105 /nfs/dbraw/zinc/58/01/05/654580105.db2.gz ZNCFDZOZDAJEFR-AWEZNQCLSA-N 1 0 386.539 1.702 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000736092460 654584715 /nfs/dbraw/zinc/58/47/15/654584715.db2.gz OIVFZXYGUFRRET-ZDUSSCGKSA-N 1 0 385.917 1.904 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000674191966 654595286 /nfs/dbraw/zinc/59/52/86/654595286.db2.gz KNQPAVJQCAHRBH-LBPRGKRZSA-N 1 0 384.274 1.915 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NOC2CC[NH+](C)CC2)ccc1Cl ZINC000773547964 654596856 /nfs/dbraw/zinc/59/68/56/654596856.db2.gz WMIHWJRGQDAGSB-UHFFFAOYSA-N 1 0 375.878 1.346 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000774239961 654618448 /nfs/dbraw/zinc/61/84/48/654618448.db2.gz DVOPZEUBIJBBQC-UHFFFAOYSA-N 1 0 399.289 1.352 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)sc1C ZINC000676415383 654641625 /nfs/dbraw/zinc/64/16/25/654641625.db2.gz LFIVLXOWGYTAPP-KBPBESRZSA-N 1 0 386.587 1.939 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(c2ncc(Br)cc2S(N)(=O)=O)C1 ZINC000676497558 654644771 /nfs/dbraw/zinc/64/47/71/654644771.db2.gz COOISSGGKRQKOV-SNVBAGLBSA-N 1 0 377.308 1.270 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(Cn3ncn(CC(F)(F)F)c3=S)CC2)C1 ZINC000738211996 654651793 /nfs/dbraw/zinc/65/17/93/654651793.db2.gz GVFFELNKOBITEI-CYBMUJFWSA-N 1 0 378.468 1.646 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000775186975 654660572 /nfs/dbraw/zinc/66/05/72/654660572.db2.gz YLXSKLZVSFPLOG-QWHCGFSZSA-N 1 0 380.316 1.256 20 0 GDADRO COCCN(CC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000775423131 654666409 /nfs/dbraw/zinc/66/64/09/654666409.db2.gz NMIFNMVDQGASPT-CABCVRRESA-N 1 0 378.535 1.815 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=S)NCCNS(C)(=O)=O ZINC000740769791 654672323 /nfs/dbraw/zinc/67/23/23/654672323.db2.gz APSHDVOFUVMEJF-OAHLLOKOSA-N 1 0 384.571 1.007 20 0 GDADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2csc(CS(C)(=O)=O)n2)C1 ZINC000775809545 654675241 /nfs/dbraw/zinc/67/52/41/654675241.db2.gz GOUGVDADTYDMDM-RYUDHWBXSA-N 1 0 375.516 1.644 20 0 GDADRO CC(C)(C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)NS(C)(=O)=O ZINC000678584345 654691814 /nfs/dbraw/zinc/69/18/14/654691814.db2.gz SDSRJAZCWCDLGT-UHFFFAOYSA-N 1 0 387.933 1.862 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000678674322 654693419 /nfs/dbraw/zinc/69/34/19/654693419.db2.gz XHIWMKGOVZSDSD-HZPDHXFCSA-N 1 0 375.535 1.096 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000680813607 654718447 /nfs/dbraw/zinc/71/84/47/654718447.db2.gz OOEXBBJBGZIJOG-AWEZNQCLSA-N 1 0 393.303 1.193 20 0 GDADRO C[NH+](C)C[C@H]1CN(c2c(F)cc(S(N)(=O)=O)cc2Br)CCO1 ZINC000680835765 654718728 /nfs/dbraw/zinc/71/87/28/654718728.db2.gz BUGMXHANGRTPDS-VIFPVBQESA-N 1 0 396.282 1.002 20 0 GDADRO C[N@H+](CC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCSC1 ZINC000680861966 654719673 /nfs/dbraw/zinc/71/96/73/654719673.db2.gz LLDAYVOXXYZRJS-MRXNPFEDSA-N 1 0 383.539 1.280 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000680926058 654720549 /nfs/dbraw/zinc/72/05/49/654720549.db2.gz RXUZWKXXUCPRJH-LLVKDONJSA-N 1 0 384.274 1.915 20 0 GDADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCSC[C@H]2c2nccs2)CC1 ZINC000681184334 654724006 /nfs/dbraw/zinc/72/40/06/654724006.db2.gz HSNSTYUYDBHWRA-AWEZNQCLSA-N 1 0 383.587 1.969 20 0 GDADRO C[NH+](C)CCOCCNC(=O)/C=C\c1ccc(I)o1 ZINC000777836679 654724400 /nfs/dbraw/zinc/72/44/00/654724400.db2.gz DNYODADDUULLCH-XQRVVYSFSA-N 1 0 378.210 1.592 20 0 GDADRO CC[N@@H+](CC(=O)N(C)C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000682218961 654750017 /nfs/dbraw/zinc/75/00/17/654750017.db2.gz UDPKMIFSJGOXCZ-CYBMUJFWSA-N 1 0 377.254 1.738 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000682276977 654750735 /nfs/dbraw/zinc/75/07/35/654750735.db2.gz BAHJSWDKJOFVDB-NSHDSACASA-N 1 0 399.289 1.077 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000779033752 654753844 /nfs/dbraw/zinc/75/38/44/654753844.db2.gz PWDJIDMKRCRAFE-ZIAGYGMSSA-N 1 0 377.551 1.987 20 0 GDADRO C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779079884 654754334 /nfs/dbraw/zinc/75/43/34/654754334.db2.gz QLGNCIHHHYMIRK-ZFWWWQNUSA-N 1 0 375.535 1.503 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+][C@@H]2CCOc3c(Br)cccc32)C1 ZINC000779078767 654754361 /nfs/dbraw/zinc/75/43/61/654754361.db2.gz VMPXOJVESZYHCG-CYBMUJFWSA-N 1 0 375.288 1.754 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2c(F)cc(OC)cc2F)CC1 ZINC000682489497 654755607 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GDADRO C[NH+]1CCC2(CCN2C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000748326344 654803364 /nfs/dbraw/zinc/80/33/64/654803364.db2.gz UBVVJGVHLPLPLO-UHFFFAOYSA-N 1 0 377.919 1.377 20 0 GDADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000748651091 654809253 /nfs/dbraw/zinc/80/92/53/654809253.db2.gz CGNODGZHLDPZFL-OAHLLOKOSA-N 1 0 392.930 1.842 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CC[N@@H+]1C ZINC000748719547 654811896 /nfs/dbraw/zinc/81/18/96/654811896.db2.gz PTYPXTARLZEBMD-CHWSQXEVSA-N 1 0 385.917 1.947 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)ccc1Cl ZINC000685325222 654817062 /nfs/dbraw/zinc/81/70/62/654817062.db2.gz JNSFDJHTUBWGTF-ZDUSSCGKSA-N 1 0 381.889 1.536 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NCCC(=O)Nc1cc(Cl)ccc1OC ZINC000685593389 654821676 /nfs/dbraw/zinc/82/16/76/654821676.db2.gz VLKQCRAPQYDRBQ-UHFFFAOYSA-N 1 0 391.921 1.938 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c1F ZINC000749183350 654824719 /nfs/dbraw/zinc/82/47/19/654824719.db2.gz JQJNDMISINDHDO-HNNXBMFYSA-N 1 0 394.465 1.467 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)NCCNc2cc[nH+]cc2)ccc1Br ZINC000749266647 654826468 /nfs/dbraw/zinc/82/64/68/654826468.db2.gz XMHWQUBXTGJJIG-UHFFFAOYSA-N 1 0 398.282 1.511 20 0 GDADRO CC[NH+]1CCC(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC000749334990 654828963 /nfs/dbraw/zinc/82/89/63/654828963.db2.gz LPIQNRYNBRITKT-UHFFFAOYSA-N 1 0 379.262 1.639 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-n2cc(Br)cn2)nn1)C[NH+]1CCCC1 ZINC000749352685 654829974 /nfs/dbraw/zinc/82/99/74/654829974.db2.gz LKTXXTZTHDJZSH-GFCCVEGCSA-N 1 0 393.289 1.887 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC000749385368 654831529 /nfs/dbraw/zinc/83/15/29/654831529.db2.gz KBMJBNLTCXTBCG-UHFFFAOYSA-N 1 0 379.262 1.593 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1(C)C ZINC000709782212 654834601 /nfs/dbraw/zinc/83/46/01/654834601.db2.gz ZZCIDQBZGXPENN-HZSPNIEDSA-N 1 0 375.535 1.549 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2cccc(I)c2)CC1 ZINC000710569985 654834905 /nfs/dbraw/zinc/83/49/05/654834905.db2.gz FZOWPZVVAQSZBE-UHFFFAOYSA-N 1 0 388.249 1.820 20 0 GDADRO Cn1ncc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1I ZINC000715553886 654836446 /nfs/dbraw/zinc/83/64/46/654836446.db2.gz KFWCCAWDHTXBRV-UWVGGRQHSA-N 1 0 376.242 1.627 20 0 GDADRO COCCC[C@H](C)[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721744981 654839431 /nfs/dbraw/zinc/83/94/31/654839431.db2.gz JSYWZSBEEKSBOI-GJZGRUSLSA-N 1 0 378.535 1.815 20 0 GDADRO COC(C)(C)[C@@H](C)[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721752546 654839646 /nfs/dbraw/zinc/83/96/46/654839646.db2.gz LZAVHTGKGSRYMP-KGLIPLIRSA-N 1 0 378.535 1.814 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[N@H+](C)C(C)C)c1 ZINC000726194140 654849438 /nfs/dbraw/zinc/84/94/38/654849438.db2.gz IHPNYPZWFLIWAS-UHFFFAOYSA-N 1 0 391.921 1.335 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000783516854 654861495 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CON(C)S(=O)(=O)c1cc(C(=O)N(C)CC[NH+]2CCCC2)ccc1Cl ZINC000728550652 654890163 /nfs/dbraw/zinc/89/01/63/654890163.db2.gz XVBHUBBQKFHDIE-UHFFFAOYSA-N 1 0 389.905 1.690 20 0 GDADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ncc(Br)cn2)CC1 ZINC000829205790 654893824 /nfs/dbraw/zinc/89/38/24/654893824.db2.gz MIGFMZRZGCZZGQ-UHFFFAOYSA-N 1 0 396.289 1.185 20 0 GDADRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000829447899 654900052 /nfs/dbraw/zinc/90/00/52/654900052.db2.gz SMPYNFYCJZYAAE-GXTWGEPZSA-N 1 0 385.452 1.572 20 0 GDADRO CN(Cn1nc(Br)nc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000751592091 654900248 /nfs/dbraw/zinc/90/02/48/654900248.db2.gz VJQZRLLMHLETAY-VIFPVBQESA-N 1 0 379.100 1.929 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000801147266 654910334 /nfs/dbraw/zinc/91/03/34/654910334.db2.gz RLHJNTNSTQBMMQ-LBPRGKRZSA-N 1 0 398.305 1.045 20 0 GDADRO C[C@]1(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@]1(F)Cl ZINC000829747714 654912295 /nfs/dbraw/zinc/91/22/95/654912295.db2.gz TUMRLZLTDBBKJE-RRQGHBQHSA-N 1 0 375.872 1.177 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000729646770 654913724 /nfs/dbraw/zinc/91/37/24/654913724.db2.gz HCZQVBXTWKHAAL-GFCCVEGCSA-N 1 0 375.485 1.756 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2csc(I)n2)CC1 ZINC000829796017 654914725 /nfs/dbraw/zinc/91/47/25/654914725.db2.gz SPUWCKKLFKKPEZ-UHFFFAOYSA-N 1 0 395.266 1.588 20 0 GDADRO NS(=O)(=O)c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C(F)(F)F ZINC000785798652 654925495 /nfs/dbraw/zinc/92/54/95/654925495.db2.gz XMRNBOOODPMUNK-RYUDHWBXSA-N 1 0 379.404 1.628 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1(n2cc(Br)cn2)CC1 ZINC000830023061 654926187 /nfs/dbraw/zinc/92/61/87/654926187.db2.gz NIEMWTJTMYQFJA-OLZOCXBDSA-N 1 0 385.331 1.831 20 0 GDADRO CC(C)(C)OC(=O)NCC1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000801521881 654926636 /nfs/dbraw/zinc/92/66/36/654926636.db2.gz LXSZUBBEJWYJAC-HNNXBMFYSA-N 1 0 375.535 1.505 20 0 GDADRO C[C@@H]1C[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000801524542 654926890 /nfs/dbraw/zinc/92/68/90/654926890.db2.gz JXEXMAGHNBJFTK-RBSFLKMASA-N 1 0 375.535 1.503 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC1 ZINC000830168573 654933868 /nfs/dbraw/zinc/93/38/68/654933868.db2.gz OFPFYDWNBGWTQA-UHFFFAOYSA-N 1 0 389.905 1.104 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)CCSC1 ZINC000786354957 654937764 /nfs/dbraw/zinc/93/77/64/654937764.db2.gz ZLXXNBAVHNWSDS-CQSZACIVSA-N 1 0 376.404 1.592 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731057972 654941746 /nfs/dbraw/zinc/94/17/46/654941746.db2.gz JLXMXPZTOFNMGX-UHFFFAOYSA-N 1 0 381.470 1.064 20 0 GDADRO O=C1CC[C@H]([N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)C(=O)N1 ZINC000830515418 654947817 /nfs/dbraw/zinc/94/78/17/654947817.db2.gz WUVQFXYBSOPXEX-JSGCOSHPSA-N 1 0 398.244 1.961 20 0 GDADRO Nc1cc(Br)cc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000753399077 654949929 /nfs/dbraw/zinc/94/99/29/654949929.db2.gz ZOHWXWGXRMSVEC-UHFFFAOYSA-N 1 0 396.285 1.931 20 0 GDADRO C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754312434 654969622 /nfs/dbraw/zinc/96/96/22/654969622.db2.gz JGIGBEANFJLWDK-HUUCEWRRSA-N 1 0 377.551 1.893 20 0 GDADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754390916 654971357 /nfs/dbraw/zinc/97/13/57/654971357.db2.gz WPEYUSGPSIMFFZ-CYBMUJFWSA-N 1 0 383.495 1.356 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CN2C(=S)N=NC2c2cccs2)C1 ZINC000788210925 654986655 /nfs/dbraw/zinc/98/66/55/654986655.db2.gz WDUQOPIULCQSEB-INIZCTEOSA-N 1 0 381.527 1.210 20 0 GDADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000831571029 654987738 /nfs/dbraw/zinc/98/77/38/654987738.db2.gz NPRLUFQLKGQUPR-INIZCTEOSA-N 1 0 376.258 1.855 20 0 GDADRO CCO[C@H](CNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)C[NH+](C)C ZINC000831693983 654992498 /nfs/dbraw/zinc/99/24/98/654992498.db2.gz CHEQLDHGDQNKAP-YPMHNXCESA-N 1 0 398.301 1.958 20 0 GDADRO CCO[C@@H](CNC(=O)c1ccc(I)cn1)C[NH+](C)C ZINC000831713151 654993399 /nfs/dbraw/zinc/99/33/99/654993399.db2.gz JBDDVWBIWDDGMQ-NSHDSACASA-N 1 0 377.226 1.383 20 0 GDADRO COc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cnc1Br ZINC000788519009 654996173 /nfs/dbraw/zinc/99/61/73/654996173.db2.gz XONHRCLJTJGWOF-ZDUSSCGKSA-N 1 0 384.274 1.836 20 0 GDADRO CCO[C@@H](CNC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F)C[NH+](C)C ZINC000831756870 654996189 /nfs/dbraw/zinc/99/61/89/654996189.db2.gz LGBBFTXVTCKSRV-SMDDNHRTSA-N 1 0 383.436 1.674 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1cc(F)cnc1Cl ZINC000831763442 654996491 /nfs/dbraw/zinc/99/64/91/654996491.db2.gz MWEXGFZEJPNBLM-UHFFFAOYSA-N 1 0 389.884 1.728 20 0 GDADRO CCO[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C[NH+](C)C ZINC000831776815 654996704 /nfs/dbraw/zinc/99/67/04/654996704.db2.gz MUNBSDBZKFOZRT-LBPRGKRZSA-N 1 0 391.921 1.287 20 0 GDADRO CCO[C@@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000831777444 654996806 /nfs/dbraw/zinc/99/68/06/654996806.db2.gz ZHZUDAFWGODYCJ-LBPRGKRZSA-N 1 0 376.284 1.806 20 0 GDADRO COCC[NH+](CCOC)C1CCN(C(=O)Cc2sc(=S)[nH]c2C)CC1 ZINC000804627127 654997691 /nfs/dbraw/zinc/99/76/91/654997691.db2.gz DPHBJWFIRRVBJP-UHFFFAOYSA-N 1 0 387.571 1.869 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc(F)c1F ZINC000756160444 655012532 /nfs/dbraw/zinc/01/25/32/655012532.db2.gz POVWEIPJUFWTAN-UHFFFAOYSA-N 1 0 376.425 1.904 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cccnc2Br)CC1 ZINC000756252760 655016663 /nfs/dbraw/zinc/01/66/63/655016663.db2.gz VNYHLLGVBFGXOY-UHFFFAOYSA-N 1 0 384.274 1.990 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000756285764 655017391 /nfs/dbraw/zinc/01/73/91/655017391.db2.gz CKJIABUUUYBGKM-UHFFFAOYSA-N 1 0 376.906 1.832 20 0 GDADRO COC(=O)CN(Cc1cccc(Br)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000789484383 655022791 /nfs/dbraw/zinc/02/27/91/655022791.db2.gz BKFZPQFYVNJGOS-MRXNPFEDSA-N 1 0 385.302 1.881 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@H+](CCNS(C)(=O)=O)C2)C1 ZINC000832258068 655024025 /nfs/dbraw/zinc/02/40/25/655024025.db2.gz MZABQBDRXWWTGN-LSDHHAIUSA-N 1 0 375.535 1.505 20 0 GDADRO CC(C)(C[NH+]1CCOCC1)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000832262819 655024811 /nfs/dbraw/zinc/02/48/11/655024811.db2.gz ZWVIMWJYMIPEQX-UHFFFAOYSA-N 1 0 385.306 1.609 20 0 GDADRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000832284456 655025855 /nfs/dbraw/zinc/02/58/55/655025855.db2.gz ORMKIQLJRSULGL-CYBMUJFWSA-N 1 0 379.448 1.693 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000789592812 655028703 /nfs/dbraw/zinc/02/87/03/655028703.db2.gz JRCZZICYCIBHQJ-LLVKDONJSA-N 1 0 397.273 1.486 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000832452476 655031913 /nfs/dbraw/zinc/03/19/13/655031913.db2.gz NILSMLBRGLQBDH-LBPRGKRZSA-N 1 0 389.905 1.076 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000832458396 655032124 /nfs/dbraw/zinc/03/21/24/655032124.db2.gz FSPQRZPHFPRJIN-LBPRGKRZSA-N 1 0 389.905 1.137 20 0 GDADRO C[N@H+](C[C@@H](O)c1ccccc1Br)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000832680657 655044433 /nfs/dbraw/zinc/04/44/33/655044433.db2.gz VDCFFNRTIHOGLM-IUODEOHRSA-N 1 0 391.331 1.696 20 0 GDADRO COC(=O)CN(C)C(=O)CC[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000832680787 655044793 /nfs/dbraw/zinc/04/47/93/655044793.db2.gz WCEBWRSMHJDAHW-AWEZNQCLSA-N 1 0 387.274 1.436 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC[N@@H+]1CCCC1(C)C ZINC000832756681 655051093 /nfs/dbraw/zinc/05/10/93/655051093.db2.gz RZUREPDQJJYFGO-UHFFFAOYSA-N 1 0 375.878 1.674 20 0 GDADRO C[C@@H]([NH2+]CCCCCO)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000790493893 655051120 /nfs/dbraw/zinc/05/11/20/655051120.db2.gz CMAUKBUYDILGRE-CYBMUJFWSA-N 1 0 378.516 1.225 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc(F)c1F ZINC000832763658 655051317 /nfs/dbraw/zinc/05/13/17/655051317.db2.gz AAVCFULUAXRQEE-NSHDSACASA-N 1 0 376.425 1.855 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000806146628 655060701 /nfs/dbraw/zinc/06/07/01/655060701.db2.gz PQEKEWMMABFJGZ-QWRGUYRKSA-N 1 0 380.379 1.950 20 0 GDADRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000806170220 655060827 /nfs/dbraw/zinc/06/08/27/655060827.db2.gz XNPWIQZFFYGGQA-HIFRSBDPSA-N 1 0 392.543 1.327 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12)C(C)(C)C ZINC000806388809 655064233 /nfs/dbraw/zinc/06/42/33/655064233.db2.gz JDWZTBDJGHPPST-CBBWQLFWSA-N 1 0 387.615 1.965 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000758536917 655064548 /nfs/dbraw/zinc/06/45/48/655064548.db2.gz BMEISZOEMJNZNH-LLVKDONJSA-N 1 0 389.905 1.872 20 0 GDADRO CS[C@@H]1CN(C(=O)CCNC(=O)OCC(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000758791242 655071622 /nfs/dbraw/zinc/07/16/22/655071622.db2.gz LLWQTQTUVKLROL-NWDGAFQWSA-N 1 0 383.436 1.703 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834544513 655072460 /nfs/dbraw/zinc/07/24/60/655072460.db2.gz NMQRUQMPKGNRFN-RBSFLKMASA-N 1 0 375.535 1.788 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC[NH2+]1 ZINC000834678092 655075662 /nfs/dbraw/zinc/07/56/62/655075662.db2.gz QVTRHKAVZQQIAZ-OCCSQVGLSA-N 1 0 385.917 1.995 20 0 GDADRO CCC[C@H](C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)OC ZINC000834841308 655080749 /nfs/dbraw/zinc/08/07/49/655080749.db2.gz SCLJJHBZPRKUKU-CZUORRHYSA-N 1 0 392.543 1.878 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000835069812 655084739 /nfs/dbraw/zinc/08/47/39/655084739.db2.gz DPESOKKCXFVWGA-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2nc(Cl)ccc2Cl)CC1=O ZINC000808269287 655102570 /nfs/dbraw/zinc/10/25/70/655102570.db2.gz HXKDJKJSIHXKPN-LLVKDONJSA-N 1 0 389.283 1.297 20 0 GDADRO CS[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)C[C@H]1[NH+](C)C ZINC000760207792 655104954 /nfs/dbraw/zinc/10/49/54/655104954.db2.gz GYUQIEMGLSQHGK-UPJWGTAASA-N 1 0 375.560 1.800 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CCCO)C2)nc1Br ZINC000835488513 655105959 /nfs/dbraw/zinc/10/59/59/655105959.db2.gz BTJWPNCKVJWTOH-LBPRGKRZSA-N 1 0 399.289 1.054 20 0 GDADRO C[C@@H](CC(=O)NCC(C)(C)[NH+](C)C)NS(=O)(=O)c1cccnc1Cl ZINC000760303128 655107671 /nfs/dbraw/zinc/10/76/71/655107671.db2.gz YOPHJFRTMCTDTA-NSHDSACASA-N 1 0 376.910 1.248 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000760311674 655107956 /nfs/dbraw/zinc/10/79/56/655107956.db2.gz VMKYPDQOPAOFJY-STQMWFEESA-N 1 0 388.921 1.392 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000793038846 655108176 /nfs/dbraw/zinc/10/81/76/655108176.db2.gz JASZPAJUAGXSBY-LLVKDONJSA-N 1 0 383.290 1.971 20 0 GDADRO Cn1ncc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1Br ZINC000760414903 655112029 /nfs/dbraw/zinc/11/20/29/655112029.db2.gz ZKQRCLHLHGJPBS-UHFFFAOYSA-N 1 0 382.262 1.448 20 0 GDADRO O=CN1CCC([NH2+]CC(=O)Nc2ccc(I)cc2)CC1 ZINC000793573596 655120256 /nfs/dbraw/zinc/12/02/56/655120256.db2.gz RSJDDBLXZSBOPW-UHFFFAOYSA-N 1 0 387.221 1.440 20 0 GDADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CSCCS1 ZINC000793716369 655122344 /nfs/dbraw/zinc/12/23/44/655122344.db2.gz CPTUOQAKGXTSRO-HOTGVXAUSA-N 1 0 381.567 1.240 20 0 GDADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)cc1 ZINC000809610398 655134072 /nfs/dbraw/zinc/13/40/72/655134072.db2.gz SABCAGGHWMSLTD-GFCCVEGCSA-N 1 0 385.511 1.411 20 0 GDADRO COc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)nc1I ZINC000761145849 655134975 /nfs/dbraw/zinc/13/49/75/655134975.db2.gz MYUKVZGCOCSYLZ-LLVKDONJSA-N 1 0 389.237 1.765 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000809688968 655135479 /nfs/dbraw/zinc/13/54/79/655135479.db2.gz SJLUGUYCOJXLFG-AWEZNQCLSA-N 1 0 377.551 1.893 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000836317625 655139826 /nfs/dbraw/zinc/13/98/26/655139826.db2.gz GKTPPKUJWYGBIZ-DOMZBBRYSA-N 1 0 386.290 1.502 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836351730 655141176 /nfs/dbraw/zinc/14/11/76/655141176.db2.gz UJMKATYGRWVJBD-CZUORRHYSA-N 1 0 399.333 1.418 20 0 GDADRO COCCS(=O)(=O)c1ccc(CNC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000761503709 655146516 /nfs/dbraw/zinc/14/65/16/655146516.db2.gz JKJKDSSZQLXMOG-UHFFFAOYSA-N 1 0 385.555 1.165 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000810064556 655147925 /nfs/dbraw/zinc/14/79/25/655147925.db2.gz JYDHORSOJXVUBY-CABCVRRESA-N 1 0 377.551 1.893 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(C)c2I)C1 ZINC000837192482 655170406 /nfs/dbraw/zinc/17/04/06/655170406.db2.gz QUJCHLGJCMPWRW-JTQLQIEISA-N 1 0 376.242 1.579 20 0 GDADRO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CC[C@H]4SCCS[C@@H]34)ccn2)CC1 ZINC000762710544 655174747 /nfs/dbraw/zinc/17/47/47/655174747.db2.gz FIRKBMKABNZZQE-INMHGKMJSA-N 1 0 378.567 1.943 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)ncc1F ZINC000762761584 655176170 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GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000842217608 655359480 /nfs/dbraw/zinc/35/94/80/655359480.db2.gz YAUWJZICTQDROW-ZDUSSCGKSA-N 1 0 386.265 1.457 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1F ZINC000817863799 655361204 /nfs/dbraw/zinc/36/12/04/655361204.db2.gz QYBIQGKXEBAQDM-AXFHLTTASA-N 1 0 376.425 1.745 20 0 GDADRO CCCC[C@@H](C[NH3+])N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817963878 655363091 /nfs/dbraw/zinc/36/30/91/655363091.db2.gz WQQDIMFKNUGMAH-ZFWWWQNUSA-N 1 0 391.559 1.580 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000818012822 655364631 /nfs/dbraw/zinc/36/46/31/655364631.db2.gz XXZPDAURJQEGPW-NSHDSACASA-N 1 0 389.905 1.135 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(Cl)cc1Cl ZINC000842480240 655366757 /nfs/dbraw/zinc/36/67/57/655366757.db2.gz RDMSHZMVXFZUQT-PELKAZGASA-N 1 0 379.265 1.762 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842484196 655367831 /nfs/dbraw/zinc/36/78/31/655367831.db2.gz XYGPFFIPQFKGHY-GFCCVEGCSA-N 1 0 382.454 1.349 20 0 GDADRO C[NH2+]C[C@H](C)c1noc(Cn2cnc3ccc(Br)cc3c2=O)n1 ZINC000842578824 655369083 /nfs/dbraw/zinc/36/90/83/655369083.db2.gz IWXIPNVQHFZQSD-VIFPVBQESA-N 1 0 378.230 1.913 20 0 GDADRO C[NH2+]C[C@H](C)c1noc(CSCCOc2ccc(S(N)(=O)=O)cc2)n1 ZINC000842584094 655369210 /nfs/dbraw/zinc/36/92/10/655369210.db2.gz ZUMMCVAJQQRLAE-NSHDSACASA-N 1 0 386.499 1.352 20 0 GDADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)C1 ZINC000842683804 655371178 /nfs/dbraw/zinc/37/11/78/655371178.db2.gz RSDCKNWFCPONSH-SECBINFHSA-N 1 0 393.694 1.733 20 0 GDADRO CC[NH2+]CCCNS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000842690869 655371400 /nfs/dbraw/zinc/37/14/00/655371400.db2.gz DRQMZFIQCSNGGH-UHFFFAOYSA-N 1 0 385.305 1.575 20 0 GDADRO O=S(=O)(NC[C@H]1CCCC[NH2+]1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842697716 655371812 /nfs/dbraw/zinc/37/18/12/655371812.db2.gz RCAPFPIHPAGTOA-SNVBAGLBSA-N 1 0 386.417 1.401 20 0 GDADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842711424 655372745 /nfs/dbraw/zinc/37/27/45/655372745.db2.gz DNQFTGNDWSTEEW-SECBINFHSA-N 1 0 393.694 1.733 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(Br)o1 ZINC000842719585 655373401 /nfs/dbraw/zinc/37/34/01/655373401.db2.gz GSVBLDDLLHHXGU-YUMQZZPRSA-N 1 0 381.248 1.187 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c(Br)o1 ZINC000842737855 655374501 /nfs/dbraw/zinc/37/45/01/655374501.db2.gz UIXHFIRSZPIKBU-UHFFFAOYSA-N 1 0 383.264 1.434 20 0 GDADRO C[C@@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000818461223 655374684 /nfs/dbraw/zinc/37/46/84/655374684.db2.gz JUKVDYZAFLIYCK-NSHDSACASA-N 1 0 379.404 1.133 20 0 GDADRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000818434519 655374724 /nfs/dbraw/zinc/37/47/24/655374724.db2.gz VQMBEJMKUGZZBS-ZIAGYGMSSA-N 1 0 381.489 1.665 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)/C=C\c2ccccc2Br)CCO1 ZINC000842744011 655374702 /nfs/dbraw/zinc/37/47/02/655374702.db2.gz NENJYWHAHJSPTK-SGJSMBNBSA-N 1 0 375.288 1.798 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)/C=C/c2cccc(Br)c2)CCO1 ZINC000842744952 655375008 /nfs/dbraw/zinc/37/50/08/655375008.db2.gz YGZUOSRYBZOCET-KUSISRCJSA-N 1 0 375.288 1.798 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1)C(F)(F)F ZINC000842764750 655375624 /nfs/dbraw/zinc/37/56/24/655375624.db2.gz VCHMFLXXTGPMEP-AWEZNQCLSA-N 1 0 377.388 1.562 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)ccc1Cl ZINC000818532017 655376213 /nfs/dbraw/zinc/37/62/13/655376213.db2.gz LJLBMBBROLASCQ-LBPRGKRZSA-N 1 0 375.878 1.394 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818563832 655376447 /nfs/dbraw/zinc/37/64/47/655376447.db2.gz SQMPLIZRRRPHEA-NXEZZACHSA-N 1 0 375.288 1.662 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCC3C[NH2+]C3)ccc2Cl)C1 ZINC000818566692 655376462 /nfs/dbraw/zinc/37/64/62/655376462.db2.gz ZNULXLNATMVROD-GFCCVEGCSA-N 1 0 385.917 1.710 20 0 GDADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)C1 ZINC000842822443 655379604 /nfs/dbraw/zinc/37/96/04/655379604.db2.gz WGZPBDLPTCDWBT-JTQLQIEISA-N 1 0 381.267 1.969 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)ccc1Br ZINC000842834322 655380347 /nfs/dbraw/zinc/38/03/47/655380347.db2.gz RGVAYYRQOOVSKS-NOZJJQNGSA-N 1 0 391.287 1.512 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)ccc1Br ZINC000842835745 655380395 /nfs/dbraw/zinc/38/03/95/655380395.db2.gz ZVCIRTCWWRWMIA-LKFCYVNXSA-N 1 0 375.288 1.928 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)s1 ZINC000842836632 655380401 /nfs/dbraw/zinc/38/04/01/655380401.db2.gz UHVJCGSAJUUUAC-SFYZADRCSA-N 1 0 397.316 1.668 20 0 GDADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842860652 655381347 /nfs/dbraw/zinc/38/13/47/655381347.db2.gz VDZNCHMBERFJJZ-LLVKDONJSA-N 1 0 382.454 1.575 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c(Br)o1 ZINC000842869134 655381671 /nfs/dbraw/zinc/38/16/71/655381671.db2.gz GSYAVQFJGDVNTP-QMMMGPOBSA-N 1 0 383.264 1.625 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C(F)F ZINC000842877150 655381978 /nfs/dbraw/zinc/38/19/78/655381978.db2.gz VYUDDCVMOVARFG-QWRGUYRKSA-N 1 0 380.438 1.055 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)s1 ZINC000818948291 655382227 /nfs/dbraw/zinc/38/22/27/655382227.db2.gz ORLQPPSBALXRML-LLVKDONJSA-N 1 0 393.531 1.022 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1Cl ZINC000842877288 655382218 /nfs/dbraw/zinc/38/22/18/655382218.db2.gz XNARWCOIQTVDKX-ZWNOBZJWSA-N 1 0 378.903 1.116 20 0 GDADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842886789 655382640 /nfs/dbraw/zinc/38/26/40/655382640.db2.gz MBVWBKDCCONJMI-UHFFFAOYSA-N 1 0 393.694 1.860 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]CCS(=O)(=O)CC)s1 ZINC000819017247 655383325 /nfs/dbraw/zinc/38/33/25/655383325.db2.gz GLSDPZDXYKLFAI-UHFFFAOYSA-N 1 0 382.573 1.345 20 0 GDADRO CCNS(=O)(=O)CC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000819042133 655383722 /nfs/dbraw/zinc/38/37/22/655383722.db2.gz FTULVBAJYLBHHF-UHFFFAOYSA-N 1 0 378.292 1.307 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1cccc(Cl)c1)NC[C@H]1CCCCO1 ZINC000819055677 655384281 /nfs/dbraw/zinc/38/42/81/655384281.db2.gz UYVZKJXQNKMLRP-HZPDHXFCSA-N 1 0 376.906 1.452 20 0 GDADRO CS(=O)(=O)CCOCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819105994 655385764 /nfs/dbraw/zinc/38/57/64/655385764.db2.gz RIEMFJZKLVHHBM-CYBMUJFWSA-N 1 0 384.267 1.272 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)C(=O)N1c1cnn(C)c1 ZINC000819121861 655386589 /nfs/dbraw/zinc/38/65/89/655386589.db2.gz JZWSFYRBXMZERM-LYRGGWFBSA-N 1 0 393.285 2.000 20 0 GDADRO O=S(=O)(Cc1ccon1)NCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819137113 655386898 /nfs/dbraw/zinc/38/68/98/655386898.db2.gz VRXBYQYXQZQFNP-AWEZNQCLSA-N 1 0 394.280 1.724 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819187230 655387934 /nfs/dbraw/zinc/38/79/34/655387934.db2.gz DWVLSDQAXXYSBG-RISCZKNCSA-N 1 0 377.304 1.354 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@H](O)c1ccc(F)cc1 ZINC000843074868 655388000 /nfs/dbraw/zinc/38/80/00/655388000.db2.gz PDCSCJNMRRAPGR-WBMJQRKESA-N 1 0 375.462 1.594 20 0 GDADRO C[C@](O)(C[NH2+]CCN1CCC(O)CC1)c1ccc(Br)cc1F ZINC000843074933 655388005 /nfs/dbraw/zinc/38/80/05/655388005.db2.gz CYXIJOLFTQQKGU-INIZCTEOSA-N 1 0 375.282 1.842 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000843093731 655388163 /nfs/dbraw/zinc/38/81/63/655388163.db2.gz NTEJIMFNWQLZJW-AWEZNQCLSA-N 1 0 395.880 1.859 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)O1 ZINC000819209071 655388179 /nfs/dbraw/zinc/38/81/79/655388179.db2.gz UBELVRQNEMADNO-CQDKDKBSSA-N 1 0 389.265 1.847 20 0 GDADRO OCCOC1(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCOCC1 ZINC000843099975 655388490 /nfs/dbraw/zinc/38/84/90/655388490.db2.gz BJFVWEWTIROEJB-OAHLLOKOSA-N 1 0 392.265 1.769 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCCN1CCO ZINC000843104546 655388602 /nfs/dbraw/zinc/38/86/02/655388602.db2.gz KHDDLPAQELBQHW-UONOGXRCSA-N 1 0 375.238 1.195 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]CCC(=O)N(C)OC ZINC000843115574 655388773 /nfs/dbraw/zinc/38/87/73/655388773.db2.gz GZPMYAAJWMBRGW-LBPRGKRZSA-N 1 0 389.290 1.608 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]CC2(S(C)(=O)=O)CC2)CC1 ZINC000819276114 655389168 /nfs/dbraw/zinc/38/91/68/655389168.db2.gz BREPUXBTKJJBSG-INIZCTEOSA-N 1 0 376.519 1.305 20 0 GDADRO COc1ccc(Cc2noc(C[C@@H]3C[NH2+]CCO3)n2)c(Br)c1OC ZINC000843203517 655389659 /nfs/dbraw/zinc/38/96/59/655389659.db2.gz STLZCYWWZASAAK-LLVKDONJSA-N 1 0 398.257 1.971 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000843260282 655390174 /nfs/dbraw/zinc/39/01/74/655390174.db2.gz DBDDPYRNALLCKY-ZOWXZIJZSA-N 1 0 398.301 1.591 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Br)cc1)C1CCOCC1 ZINC000819347868 655390262 /nfs/dbraw/zinc/39/02/62/655390262.db2.gz AOHBMIYBUCJSQG-HNNXBMFYSA-N 1 0 392.315 1.666 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843345078 655393041 /nfs/dbraw/zinc/39/30/41/655393041.db2.gz QFMPIIAILMQNKW-GFCCVEGCSA-N 1 0 382.511 1.401 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH2+]CC2(C)C)c1 ZINC000843351781 655393399 /nfs/dbraw/zinc/39/33/99/655393399.db2.gz DEKAUXKGKSJFGT-UHFFFAOYSA-N 1 0 389.905 1.089 20 0 GDADRO C[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]1C[NH3+] ZINC000843353431 655393487 /nfs/dbraw/zinc/39/34/87/655393487.db2.gz HXLGTHDDPVSTKP-SMDDNHRTSA-N 1 0 375.441 1.681 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000843365493 655393751 /nfs/dbraw/zinc/39/37/51/655393751.db2.gz MPQSDLRBIZNNDH-CYBMUJFWSA-N 1 0 375.441 1.695 20 0 GDADRO CC[C@@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[C@H]1[NH3+] ZINC000843377224 655393877 /nfs/dbraw/zinc/39/38/77/655393877.db2.gz LXEGLSLRMLQENW-BXUZGUMPSA-N 1 0 375.441 1.681 20 0 GDADRO CC(C)[C@H]1CN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC[NH2+]1 ZINC000843375690 655393906 /nfs/dbraw/zinc/39/39/06/655393906.db2.gz CIELEBFMBNKXLJ-CYBMUJFWSA-N 1 0 375.441 1.551 20 0 GDADRO COC(=O)C[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000843387562 655394006 /nfs/dbraw/zinc/39/40/06/655394006.db2.gz SCRWIZYTRAFOAR-GJZGRUSLSA-N 1 0 399.285 1.938 20 0 GDADRO C[C@H](CC(=O)NC[C@@]1(C)CCC[NH2+]C1)NS(=O)(=O)c1cccnc1Cl ZINC000843454897 655395288 /nfs/dbraw/zinc/39/52/88/655395288.db2.gz WGHQORVJDPCECE-WBMJQRKESA-N 1 0 388.921 1.298 20 0 GDADRO C[C@@H](CC(=O)Nc1ccc(C[NH3+])cc1)NS(=O)(=O)c1cccnc1Cl ZINC000843461965 655395587 /nfs/dbraw/zinc/39/55/87/655395587.db2.gz WCMORHBTDQGFLY-NSHDSACASA-N 1 0 382.873 1.889 20 0 GDADRO C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)NS(=O)(=O)c1cccnc1Cl ZINC000843469583 655395795 /nfs/dbraw/zinc/39/57/95/655395795.db2.gz PHXRNSAJAKQJRL-RWMBFGLXSA-N 1 0 386.905 1.145 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C2(C[NH3+])CCC2)c1 ZINC000843483940 655396623 /nfs/dbraw/zinc/39/66/23/655396623.db2.gz GAYYFSMRXWJTQV-UHFFFAOYSA-N 1 0 389.905 1.218 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)s1 ZINC000819912850 655399417 /nfs/dbraw/zinc/39/94/17/655399417.db2.gz XUSICHXZLOTNDW-GXTWGEPZSA-N 1 0 387.527 1.361 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000819925423 655399862 /nfs/dbraw/zinc/39/98/62/655399862.db2.gz GDYNKENBQQKTEM-UHFFFAOYSA-N 1 0 385.917 1.806 20 0 GDADRO Cc1cc(Br)ccc1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000844035389 655405554 /nfs/dbraw/zinc/40/55/54/655405554.db2.gz OHTZWFRAPUYVDH-ZDUSSCGKSA-N 1 0 382.302 1.878 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000820307704 655407776 /nfs/dbraw/zinc/40/77/76/655407776.db2.gz BIILVZLNOSKXQH-SNVBAGLBSA-N 1 0 375.878 1.527 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c(Cl)cc1Cl ZINC000844225924 655408626 /nfs/dbraw/zinc/40/86/26/655408626.db2.gz 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C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1c(Cl)ccnc1Cl)CCO2 ZINC000828252083 655520076 /nfs/dbraw/zinc/52/00/76/655520076.db2.gz PRHGKNWOUQAZJH-UHFFFAOYSA-N 1 0 380.297 1.874 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cnc(Br)s2)cn1 ZINC000849589800 655542620 /nfs/dbraw/zinc/54/26/20/655542620.db2.gz ZQNZQDKQDXZXJQ-STQMWFEESA-N 1 0 398.330 1.991 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)s1 ZINC000850591692 655559473 /nfs/dbraw/zinc/55/94/73/655559473.db2.gz CQGMCPPDGPOXLP-SECBINFHSA-N 1 0 398.959 1.758 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000850593985 655559843 /nfs/dbraw/zinc/55/98/43/655559843.db2.gz KHDGFXGJPNOCRL-ZETCQYMHSA-N 1 0 381.683 1.636 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000850627912 655561608 /nfs/dbraw/zinc/56/16/08/655561608.db2.gz FDDDMNHTYCRTMJ-UHFFFAOYSA-N 1 0 375.654 1.456 20 0 GDADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCn2ncc(Br)c2C1 ZINC000850857924 655570202 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CN(C)S(=O)(=O)CCC[N@H+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000852447541 655614328 /nfs/dbraw/zinc/61/43/28/655614328.db2.gz XPIMAVUHLJGLBH-UHFFFAOYSA-N 1 0 375.535 1.742 20 0 GDADRO O=C(N1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)Cc2ccccc21)C(F)(F)F ZINC000852452277 655614396 /nfs/dbraw/zinc/61/43/96/655614396.db2.gz UUWPVUYDHAXIEI-AAEUAGOBSA-N 1 0 376.400 1.531 20 0 GDADRO C[C@@H](C[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1)S(C)(=O)=O ZINC000852603756 655618546 /nfs/dbraw/zinc/61/85/46/655618546.db2.gz KUBMHYIABVSRLL-JSGCOSHPSA-N 1 0 384.464 1.932 20 0 GDADRO CN(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@H](C[NH3+])C(F)(F)F ZINC000852762669 655622292 /nfs/dbraw/zinc/62/22/92/655622292.db2.gz STZBAQOETWNCIG-SNVBAGLBSA-N 1 0 389.346 1.443 20 0 GDADRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cnnn1C1CC[NH2+]CC1 ZINC000852808170 655623078 /nfs/dbraw/zinc/62/30/78/655623078.db2.gz MIOBKXVANXEIIL-HNNXBMFYSA-N 1 0 384.267 1.973 20 0 GDADRO O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc2c1C[NH2+]C2 ZINC000852814236 655623431 /nfs/dbraw/zinc/62/34/31/655623431.db2.gz QQXAIYBYDBZTOO-UHFFFAOYSA-N 1 0 377.388 1.334 20 0 GDADRO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(NS(C)(=O)=O)c1 ZINC000852817418 655623454 /nfs/dbraw/zinc/62/34/54/655623454.db2.gz VUIBENXQBUVLLA-IINYFYTJSA-N 1 0 379.404 1.777 20 0 GDADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCC(n2nncc2I)CC1 ZINC000852860700 655624294 /nfs/dbraw/zinc/62/42/94/655624294.db2.gz IIPQUFCCTVACTJ-QMMMGPOBSA-N 1 0 399.183 1.029 20 0 GDADRO C[C@H]([NH2+]C1CC1)C(=O)N1CCC(n2nncc2I)CC1 ZINC000852860938 655624406 /nfs/dbraw/zinc/62/44/06/655624406.db2.gz MAQWNWGHEBNBIE-VIFPVBQESA-N 1 0 389.241 1.187 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000852868103 655624727 /nfs/dbraw/zinc/62/47/27/655624727.db2.gz NOIBCOLSWHWJJE-CYBMUJFWSA-N 1 0 377.304 1.956 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NCc2cc(Cl)cc(I)c2)=NO1 ZINC000852893572 655625566 /nfs/dbraw/zinc/62/55/66/655625566.db2.gz OPHMFLFREJVZQA-JTQLQIEISA-N 1 0 393.612 1.664 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000852892588 655625570 /nfs/dbraw/zinc/62/55/70/655625570.db2.gz LTOOGIHOILPRSB-CHWSQXEVSA-N 1 0 385.306 1.850 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NCc2cc(Cl)ccc2I)=NO1 ZINC000852900608 655625986 /nfs/dbraw/zinc/62/59/86/655625986.db2.gz NHIKHYBYMFUDPM-SECBINFHSA-N 1 0 393.612 1.664 20 0 GDADRO COC(=O)[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccccc1Br ZINC000852907226 655627414 /nfs/dbraw/zinc/62/74/14/655627414.db2.gz HGHYCTBPVMXKIR-CQSZACIVSA-N 1 0 393.241 1.462 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000852917821 655628267 /nfs/dbraw/zinc/62/82/67/655628267.db2.gz RHOSUIRWOXWATK-GFCCVEGCSA-N 1 0 375.441 1.509 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000853083616 655632495 /nfs/dbraw/zinc/63/24/95/655632495.db2.gz XSOSEJXMXXOVKQ-CYBMUJFWSA-N 1 0 377.260 1.266 20 0 GDADRO CC(C)[C@@H](CC[NH2+]CC1(O)CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C ZINC000853122846 655632992 /nfs/dbraw/zinc/63/29/92/655632992.db2.gz LWPHFDLTWAAIMT-CQSZACIVSA-N 1 0 378.535 1.455 20 0 GDADRO CCC(=O)c1ccc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c(S(=O)(=O)NC)c1 ZINC000853460788 655640159 /nfs/dbraw/zinc/64/01/59/655640159.db2.gz KCSOCTBKHNIVOU-HOCLYGCPSA-N 1 0 385.555 1.669 20 0 GDADRO CN(CC1C[NH+](C)C1)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000853555968 655642921 /nfs/dbraw/zinc/64/29/21/655642921.db2.gz UCTWWPPHUXCLFS-QGZVFWFLSA-N 1 0 395.301 1.667 20 0 GDADRO CC(C)C[NH2+]C1(CO)CCN(c2ncnc3c2c(Br)nn3C)CC1 ZINC000853661368 655646860 /nfs/dbraw/zinc/64/68/60/655646860.db2.gz UPHGJIWVQGAFKB-UHFFFAOYSA-N 1 0 397.321 1.703 20 0 GDADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCOC2(C[NH2+]C2)C1 ZINC000854015846 655655836 /nfs/dbraw/zinc/65/58/36/655655836.db2.gz QTIQAURHLOMNQT-UHFFFAOYSA-N 1 0 377.242 1.449 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1Cc2cc(Br)ccc2O1 ZINC000854353405 655663504 /nfs/dbraw/zinc/66/35/04/655663504.db2.gz YJFVYGNHHHSDJG-GOEBONIOSA-N 1 0 380.286 1.259 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1c(Br)nc2n1CCCC2 ZINC000854641353 655673190 /nfs/dbraw/zinc/67/31/90/655673190.db2.gz BQVHYCAHXLTOQS-CHWSQXEVSA-N 1 0 397.317 1.917 20 0 GDADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000854651726 655673519 /nfs/dbraw/zinc/67/35/19/655673519.db2.gz LCWOTFZXEZESPD-CABZTGNLSA-N 1 0 390.303 1.261 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1csc(I)n1 ZINC000854689415 655674052 /nfs/dbraw/zinc/67/40/52/655674052.db2.gz CTEAGSXUCVMVAQ-VIFPVBQESA-N 1 0 395.266 1.324 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cc(Br)no2)CC1=O ZINC000854707840 655674563 /nfs/dbraw/zinc/67/45/63/655674563.db2.gz JRQKRTWRSZIYMX-RYUDHWBXSA-N 1 0 399.289 1.386 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC(C[NH+](C)C)C2)ccc1Cl ZINC000854723237 655675190 /nfs/dbraw/zinc/67/51/90/655675190.db2.gz UMFBSNZZRMNNOO-UHFFFAOYSA-N 1 0 375.878 1.156 20 0 GDADRO O=C(NCC[S@@](=O)CC(F)(F)F)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000855275074 655689544 /nfs/dbraw/zinc/68/95/44/655689544.db2.gz YDFHYJMPKABEKD-ODCWNRFASA-N 1 0 378.416 1.051 20 0 GDADRO CCN(C(=O)c1ccc(-n2cc(Br)cn2)nn1)[C@H]1CC[N@H+](CC)C1 ZINC000855490528 655695224 /nfs/dbraw/zinc/69/52/24/655695224.db2.gz IKSOXJJOUOXRMB-ZDUSSCGKSA-N 1 0 393.289 1.981 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000855639026 655698665 /nfs/dbraw/zinc/69/86/65/655698665.db2.gz BNOJQQRWPBJUNJ-UHFFFAOYSA-N 1 0 385.917 1.758 20 0 GDADRO Cc1nc(SC(F)F)sc1CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000855698695 655699880 /nfs/dbraw/zinc/69/98/80/655699880.db2.gz SWGBKPRZWXYTFL-UHFFFAOYSA-N 1 0 394.513 1.787 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2c(Br)nc3n2CCC3)CCO1 ZINC000856431960 655713174 /nfs/dbraw/zinc/71/31/74/655713174.db2.gz VKRPMLIOVBHHAV-LBPRGKRZSA-N 1 0 385.306 1.775 20 0 GDADRO CC(C)[C@H]1CN(C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CC[NH2+]1 ZINC000856490696 655714064 /nfs/dbraw/zinc/71/40/64/655714064.db2.gz PIHSUTRFFBKKGJ-GFCCVEGCSA-N 1 0 390.303 1.167 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000856729204 655715449 /nfs/dbraw/zinc/71/54/49/655715449.db2.gz HPYDBRQNSMMXNL-CABCVRRESA-N 1 0 375.535 1.790 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856752566 655717260 /nfs/dbraw/zinc/71/72/60/655717260.db2.gz QUJVFGDFQCBXII-LBPRGKRZSA-N 1 0 383.345 1.924 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000856945969 655722949 /nfs/dbraw/zinc/72/29/49/655722949.db2.gz CUVLRFHBECFKRZ-CHWSQXEVSA-N 1 0 377.316 1.518 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cn(-c3ccccc3Br)nn1)C2 ZINC000857008517 655725502 /nfs/dbraw/zinc/72/55/02/655725502.db2.gz LKDHKQGJNOJTFB-ZBEGNZNMSA-N 1 0 376.258 1.983 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C2 ZINC000857237879 655731690 /nfs/dbraw/zinc/73/16/90/655731690.db2.gz WELRXZYJLQCFJP-HZMBPMFUSA-N 1 0 380.438 1.185 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)CC[C@H]2CC2(Cl)Cl)CC1=O ZINC000857259623 655732633 /nfs/dbraw/zinc/73/26/33/655732633.db2.gz BSDFGEODRZTBCU-QWHCGFSZSA-N 1 0 380.316 1.256 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CC[C@@H]2CC2(Cl)Cl)CC1=O ZINC000857259622 655732673 /nfs/dbraw/zinc/73/26/73/655732673.db2.gz BSDFGEODRZTBCU-OLZOCXBDSA-N 1 0 380.316 1.256 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CC(O)(c3cccc(Br)c3)C2)CC1 ZINC000857419621 655736738 /nfs/dbraw/zinc/73/67/38/655736738.db2.gz RVKYVWXVAOPRFK-UHFFFAOYSA-N 1 0 382.302 1.116 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)ccc1S(=O)(=O)C(F)F ZINC000858598803 655749883 /nfs/dbraw/zinc/74/98/83/655749883.db2.gz HZDQRXFVPIXBOY-YPMHNXCESA-N 1 0 378.441 1.409 20 0 GDADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC1 ZINC000858608247 655749930 /nfs/dbraw/zinc/74/99/30/655749930.db2.gz KHIFULOEWUWEED-SNVBAGLBSA-N 1 0 379.404 1.935 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000858613128 655750352 /nfs/dbraw/zinc/75/03/52/655750352.db2.gz SWFMPHIJKPLAEH-LLVKDONJSA-N 1 0 383.804 1.794 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000858626829 655751153 /nfs/dbraw/zinc/75/11/53/655751153.db2.gz MHBQGFCDZLMJPC-UHFFFAOYSA-N 1 0 393.303 1.508 20 0 GDADRO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc21 ZINC000858641590 655751890 /nfs/dbraw/zinc/75/18/90/655751890.db2.gz KJRMRVZKJMFTDR-SECBINFHSA-N 1 0 390.303 1.326 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c(F)cc1Br ZINC000858642833 655751911 /nfs/dbraw/zinc/75/19/11/655751911.db2.gz PKMUGVAEETXJIB-WRWORJQWSA-N 1 0 395.250 1.404 20 0 GDADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)C1 ZINC000858765288 655753309 /nfs/dbraw/zinc/75/33/09/655753309.db2.gz NAAAJJZNEXXEOP-LBPRGKRZSA-N 1 0 386.543 1.195 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000859286447 655773537 /nfs/dbraw/zinc/77/35/37/655773537.db2.gz DGYFWPNYTLRGKU-LLVKDONJSA-N 1 0 379.258 1.981 20 0 GDADRO Cc1nc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c(Br)n1C ZINC000859301932 655774576 /nfs/dbraw/zinc/77/45/76/655774576.db2.gz KVJUBNRKCQBGHE-LLVKDONJSA-N 1 0 379.324 1.501 20 0 GDADRO O=C(Nc1ccc(Br)nc1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000859662980 655788572 /nfs/dbraw/zinc/78/85/72/655788572.db2.gz IPFWPDMNGWTZIX-UHFFFAOYSA-N 1 0 397.277 1.019 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cnc1Cl ZINC000861515892 655824251 /nfs/dbraw/zinc/82/42/51/655824251.db2.gz QWWVJLHEKBFMOR-KOLCDFICSA-N 1 0 378.782 1.968 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000861516927 655824256 /nfs/dbraw/zinc/82/42/56/655824256.db2.gz WXDNDQOYWKPKEJ-UHFFFAOYSA-N 1 0 381.832 1.945 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000861520047 655824406 /nfs/dbraw/zinc/82/44/06/655824406.db2.gz UPTMPRLGXVITOD-MRVPVSSYSA-N 1 0 379.816 1.698 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])ccc1Br ZINC000861542459 655825523 /nfs/dbraw/zinc/82/55/23/655825523.db2.gz OZRKHHRTAVPIJB-MRVPVSSYSA-N 1 0 386.246 1.288 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000861543934 655825733 /nfs/dbraw/zinc/82/57/33/655825733.db2.gz IHWZYJHVICVRNS-JTQLQIEISA-N 1 0 380.246 1.379 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N(C)C[C@@H](C)[NH3+])s1 ZINC000861571461 655826083 /nfs/dbraw/zinc/82/60/83/655826083.db2.gz DDXZNRGIFGAWRD-GFCCVEGCSA-N 1 0 376.548 1.310 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N(C)C[C@H](C)[NH3+])s1 ZINC000861571462 655826101 /nfs/dbraw/zinc/82/61/01/655826101.db2.gz DDXZNRGIFGAWRD-LBPRGKRZSA-N 1 0 376.548 1.310 20 0 GDADRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 ZINC000861618326 655827042 /nfs/dbraw/zinc/82/70/42/655827042.db2.gz TYQFOYKZHMJAHG-UHFFFAOYSA-N 1 0 390.303 1.898 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cccc(Br)n1 ZINC000862091360 655838420 /nfs/dbraw/zinc/83/84/20/655838420.db2.gz KCOTUBAUEYYOIL-LBPRGKRZSA-N 1 0 381.274 1.916 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1(S(C)(=O)=O)CC1 ZINC000862364568 655845122 /nfs/dbraw/zinc/84/51/22/655845122.db2.gz DDAFZHYOEISUHL-MJBXVCDLSA-N 1 0 376.519 1.566 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cn(C)nc2Br)cc1O ZINC000862367744 655845350 /nfs/dbraw/zinc/84/53/50/655845350.db2.gz UELFNKWIRBRFSJ-LBPRGKRZSA-N 1 0 384.274 1.838 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000863034671 655860584 /nfs/dbraw/zinc/86/05/84/655860584.db2.gz LZTCOKVTUWWTMV-CYBMUJFWSA-N 1 0 385.917 1.995 20 0 GDADRO C[C@H](c1ncc(Br)cn1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863547109 655875422 /nfs/dbraw/zinc/87/54/22/655875422.db2.gz IBCBMXINNAEOBK-HONMWMINSA-N 1 0 396.289 1.557 20 0 GDADRO C[C@@H]1[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCS1(=O)=O ZINC000863581577 655876537 /nfs/dbraw/zinc/87/65/37/655876537.db2.gz SQYUSWYAQOFGTG-OWYVNGRQSA-N 1 0 380.279 1.961 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C1 ZINC000864055592 655888181 /nfs/dbraw/zinc/88/81/81/655888181.db2.gz SXKHNDCZEUXVEH-WOPDTQHZSA-N 1 0 385.452 1.382 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000864058743 655888262 /nfs/dbraw/zinc/88/82/62/655888262.db2.gz XDMNSCQVSVEPRO-RKDXNWHRSA-N 1 0 398.227 1.851 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000864773594 655905651 /nfs/dbraw/zinc/90/56/51/655905651.db2.gz SNFCHYINLXSDLW-UHFFFAOYSA-N 1 0 390.281 1.785 20 0 GDADRO CC(C)n1ncc(C(=O)NCCCC[NH+]2CCN(C)CC2)c1Br ZINC000864863960 655907411 /nfs/dbraw/zinc/90/74/11/655907411.db2.gz SNARRZLSBXFHAI-UHFFFAOYSA-N 1 0 386.338 1.984 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000864893129 655907982 /nfs/dbraw/zinc/90/79/82/655907982.db2.gz VFNXMLLPQHFAFY-UHFFFAOYSA-N 1 0 398.301 1.182 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cn2ccnc12 ZINC000865202478 655914589 /nfs/dbraw/zinc/91/45/89/655914589.db2.gz LETCYCMBRJVWPA-LBPRGKRZSA-N 1 0 380.290 1.463 20 0 GDADRO NS(=O)(=O)c1cc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000865462255 655920302 /nfs/dbraw/zinc/92/03/02/655920302.db2.gz HZSVOHHDJOOUDO-OAHLLOKOSA-N 1 0 387.933 1.720 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2cccnc2Br)cn1 ZINC000865519479 655921168 /nfs/dbraw/zinc/92/11/68/655921168.db2.gz OQJZXGJLSBWJHU-UHFFFAOYSA-N 1 0 381.278 1.331 20 0 GDADRO C[NH+](C)[C@]1(CNc2ccc(Br)cc2S(N)(=O)=O)CCSC1 ZINC000865582914 655922355 /nfs/dbraw/zinc/92/23/55/655922355.db2.gz OKWQACMRXLVAEE-ZDUSSCGKSA-N 1 0 394.360 1.946 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000865624586 655923147 /nfs/dbraw/zinc/92/31/47/655923147.db2.gz MLUQGCMNYOXXBP-HBNTYKKESA-N 1 0 390.424 1.234 20 0 GDADRO CN1C2(CCC2)COC[C@]1(CO)CNc1ccc(CO)c(Br)n1 ZINC000865965382 655931281 /nfs/dbraw/zinc/93/12/81/655931281.db2.gz METSQHUQZPBLBN-MRXNPFEDSA-N 1 0 386.290 1.364 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(I)nn2C)C[C@H]1C ZINC000866020661 655933015 /nfs/dbraw/zinc/93/30/15/655933015.db2.gz OFYULPFWZGYJKM-GHMZBOCLSA-N 1 0 390.269 1.970 20 0 GDADRO C[C@H](NC(=O)c1cc(I)nn1C)C(C)(C)C[NH+](C)C ZINC000866059628 655933890 /nfs/dbraw/zinc/93/38/90/655933890.db2.gz QHISWFUZXJVQEG-VIFPVBQESA-N 1 0 378.258 1.731 20 0 GDADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CCCN2CCCS2(=O)=O)C1 ZINC000866406230 655940743 /nfs/dbraw/zinc/94/07/43/655940743.db2.gz VYKYFHWPCFRRKZ-UONOGXRCSA-N 1 0 382.473 1.759 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000866415774 655941484 /nfs/dbraw/zinc/94/14/84/655941484.db2.gz DZODSMHLJUNSMK-UHFFFAOYSA-N 1 0 381.274 1.937 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000866497611 655947357 /nfs/dbraw/zinc/94/73/57/655947357.db2.gz NKYNODHFPKBZQN-CQSZACIVSA-N 1 0 375.535 1.647 20 0 GDADRO CC1CC[NH+](CCCCNS(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000866502976 655947576 /nfs/dbraw/zinc/94/75/76/655947576.db2.gz NSMPSWCVHVKOQQ-UHFFFAOYSA-N 1 0 393.351 1.973 20 0 GDADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1nc[nH]c1Br ZINC000866567759 655949925 /nfs/dbraw/zinc/94/99/25/655949925.db2.gz NNEZFGGDFQQSCU-LBPRGKRZSA-N 1 0 387.303 1.623 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1nc[nH]c1Br ZINC000866567758 655949944 /nfs/dbraw/zinc/94/99/44/655949944.db2.gz NNEZFGGDFQQSCU-GFCCVEGCSA-N 1 0 387.303 1.623 20 0 GDADRO Cn1ncc(I)c1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000866631213 655952018 /nfs/dbraw/zinc/95/20/18/655952018.db2.gz IZKMRBNUSCZLKJ-GFCCVEGCSA-N 1 0 390.269 1.368 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(Br)n1 ZINC000866721891 655956753 /nfs/dbraw/zinc/95/67/53/655956753.db2.gz QLQFAAKFYVQVQK-LBPRGKRZSA-N 1 0 391.335 1.822 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000866740287 655957768 /nfs/dbraw/zinc/95/77/68/655957768.db2.gz PRIICHZXPXPKEI-QWRGUYRKSA-N 1 0 379.404 1.935 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c(Br)n1 ZINC000866742151 655957985 /nfs/dbraw/zinc/95/79/85/655957985.db2.gz QSGBELYIMRGPED-UHFFFAOYSA-N 1 0 377.308 1.335 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc2ccnc(Cl)c2c1 ZINC000866746620 655958569 /nfs/dbraw/zinc/95/85/69/655958569.db2.gz GTQPOPPDUGHHKU-CYBMUJFWSA-N 1 0 382.917 1.802 20 0 GDADRO Cn1cc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(Br)n1 ZINC000866762704 655959960 /nfs/dbraw/zinc/95/99/60/655959960.db2.gz ZOQIJFJGQDXMFV-NWDGAFQWSA-N 1 0 385.287 1.298 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1Br ZINC000866768309 655960848 /nfs/dbraw/zinc/96/08/48/655960848.db2.gz ATXSNSXHTBWVFQ-MNOVXSKESA-N 1 0 377.308 1.193 20 0 GDADRO C[C@@]1(CS(=O)(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1(Cl)Cl ZINC000866770693 655961197 /nfs/dbraw/zinc/96/11/97/655961197.db2.gz BYIFJRZRIVBURY-NEPJUHHUSA-N 1 0 382.317 1.287 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2nc[nH]c2Br)C[C@H]1c1cccc(F)c1 ZINC000866771276 655961478 /nfs/dbraw/zinc/96/14/78/655961478.db2.gz CHWCNYFJEQLPHB-WDEREUQCSA-N 1 0 389.250 1.427 20 0 GDADRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)N=[S@](C)(=O)CC)cc1 ZINC000866777508 655962246 /nfs/dbraw/zinc/96/22/46/655962246.db2.gz UOVKEKJJRJFZIF-CCHLGUQTSA-N 1 0 389.543 1.483 20 0 GDADRO Cn1cc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(Br)n1 ZINC000866779066 655962670 /nfs/dbraw/zinc/96/26/70/655962670.db2.gz HGPNRGQDQUEHPC-NWDGAFQWSA-N 1 0 385.287 1.217 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC000866789196 655963753 /nfs/dbraw/zinc/96/37/53/655963753.db2.gz LCKDIRVCMYNBEK-MWLCHTKSSA-N 1 0 375.288 1.867 20 0 GDADRO Cn1ncc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1Br ZINC000866798934 655964966 /nfs/dbraw/zinc/96/49/66/655964966.db2.gz LYQUPFAEUNNTBR-LLVKDONJSA-N 1 0 381.340 1.827 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)cc1F ZINC000866803897 655965376 /nfs/dbraw/zinc/96/53/76/655965376.db2.gz MENYTHNOCMFSGC-UHFFFAOYSA-N 1 0 393.506 1.350 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)C(F)(F)F ZINC000866823651 655967262 /nfs/dbraw/zinc/96/72/62/655967262.db2.gz OMFDXRYZWANNSM-JQWIXIFHSA-N 1 0 377.388 1.702 20 0 GDADRO COCCC1(NS(=O)(=O)c2ncccc2Br)CC[NH2+]CC1 ZINC000866824791 655967327 /nfs/dbraw/zinc/96/73/27/655967327.db2.gz IFHUDRFJEPWCNH-UHFFFAOYSA-N 1 0 378.292 1.281 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1F ZINC000866827227 655967518 /nfs/dbraw/zinc/96/75/18/655967518.db2.gz JKQPNIIWFUCFPR-HUUCEWRRSA-N 1 0 391.490 1.102 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866827784 655967691 /nfs/dbraw/zinc/96/76/91/655967691.db2.gz SMHYACKBCFZYLA-QWHCGFSZSA-N 1 0 375.288 1.973 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)C1 ZINC000866893592 655974630 /nfs/dbraw/zinc/97/46/30/655974630.db2.gz RTVLWSGQMXGHTK-JCQPUDPBSA-N 1 0 377.507 1.801 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)C1 ZINC000866921377 655977494 /nfs/dbraw/zinc/97/74/94/655977494.db2.gz SFWHJVYNGBUQPL-RFIQDPTOSA-N 1 0 377.507 1.990 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC2CCN(c3cccs3)CC2)CC1 ZINC000866946629 655980373 /nfs/dbraw/zinc/98/03/73/655980373.db2.gz BFPLVVJKOKAHFU-UHFFFAOYSA-N 1 0 386.587 1.274 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cc(F)cc(Br)c2)CC1 ZINC000866967280 655982729 /nfs/dbraw/zinc/98/27/29/655982729.db2.gz FHXRPJDKYMFUCI-UHFFFAOYSA-N 1 0 395.294 1.934 20 0 GDADRO Cn1cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c(Br)n1 ZINC000866996133 655985547 /nfs/dbraw/zinc/98/55/47/655985547.db2.gz PDJFCJGDAHLPSS-UHFFFAOYSA-N 1 0 379.324 1.581 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000867055111 655991513 /nfs/dbraw/zinc/99/15/13/655991513.db2.gz KEUZUEYOBDNUBT-ZDUSSCGKSA-N 1 0 378.878 1.016 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(I)nn1C ZINC000867094015 655994659 /nfs/dbraw/zinc/99/46/59/655994659.db2.gz ZJKHECVPLSZNOC-SNVBAGLBSA-N 1 0 390.269 1.827 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000867092228 655994449 /nfs/dbraw/zinc/99/44/49/655994449.db2.gz JFBCQGHCUXGGMA-IXDOHACOSA-N 1 0 385.555 1.849 20 0 GDADRO COc1ccc(C=O)c(Br)c1OS(=O)(=O)CCC[NH+](C)C ZINC000867106691 655995557 /nfs/dbraw/zinc/99/55/57/655995557.db2.gz CKLNVZLIVRPLHM-UHFFFAOYSA-N 1 0 380.260 1.931 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(F)cc1Cl ZINC000867120284 655998179 /nfs/dbraw/zinc/99/81/79/655998179.db2.gz AYLGRIXTLYWRCY-ZDUSSCGKSA-N 1 0 377.913 1.925 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cccc(OC(F)(F)F)c2)CC1 ZINC000867131374 656000288 /nfs/dbraw/zinc/00/02/88/656000288.db2.gz SHRLUBAFPFMNEP-UHFFFAOYSA-N 1 0 382.404 1.931 20 0 GDADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3nc[nH]c3Br)C2)CC1 ZINC000867225561 656017059 /nfs/dbraw/zinc/01/70/59/656017059.db2.gz XAZXJTJZTPISDH-UHFFFAOYSA-N 1 0 377.308 1.669 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000867242063 656020858 /nfs/dbraw/zinc/02/08/58/656020858.db2.gz YQWWIHZYKRGYRS-UONOGXRCSA-N 1 0 384.373 1.469 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867333198 656040426 /nfs/dbraw/zinc/04/04/26/656040426.db2.gz NDEPJCXRHGDROK-GOEBONIOSA-N 1 0 394.313 1.960 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867334682 656040504 /nfs/dbraw/zinc/04/05/04/656040504.db2.gz FPXTUOHCUWPZHW-WCQYABFASA-N 1 0 384.274 1.553 20 0 GDADRO COc1ccc(Br)c(CS(=O)(=O)NCC2([NH+](C)C)CC2)c1 ZINC000867438885 656061219 /nfs/dbraw/zinc/06/12/19/656061219.db2.gz KPGDKTHKUAGCFJ-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO COCCc1ccc(OS(=O)(=O)CCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000867567206 656085741 /nfs/dbraw/zinc/08/57/41/656085741.db2.gz QAZKUEYVLPXWFN-UHFFFAOYSA-N 1 0 390.933 1.875 20 0 GDADRO COC(=O)C1CCN(S(=O)(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000867652971 656099378 /nfs/dbraw/zinc/09/93/78/656099378.db2.gz PCQROYWMAFFNBZ-UHFFFAOYSA-N 1 0 375.535 1.216 20 0 GDADRO CC(C)NC(=O)CN1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000867956043 656135506 /nfs/dbraw/zinc/13/55/06/656135506.db2.gz KYHBQRDEMLCBQB-MRXNPFEDSA-N 1 0 397.317 1.118 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1I ZINC000867970018 656136121 /nfs/dbraw/zinc/13/61/21/656136121.db2.gz VVXYETOPUIXSMT-ZJUUUORDSA-N 1 0 376.242 1.878 20 0 GDADRO COC(=O)C1(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CCOCC1 ZINC000867976194 656136539 /nfs/dbraw/zinc/13/65/39/656136539.db2.gz XCCBQIGLZJLOOL-ZDUSSCGKSA-N 1 0 385.258 1.535 20 0 GDADRO CC(=O)N[C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1 ZINC000867975646 656136640 /nfs/dbraw/zinc/13/66/40/656136640.db2.gz YVLIRRJGPNZWNW-CABCVRRESA-N 1 0 380.286 1.885 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)C1CC[NH2+]CC1 ZINC000868002393 656137322 /nfs/dbraw/zinc/13/73/22/656137322.db2.gz PQJBOMYDMCWOEZ-SNVBAGLBSA-N 1 0 389.315 1.971 20 0 GDADRO COCCC1(NC(=O)Nc2cc(Br)cn(C)c2=O)CC[NH2+]CC1 ZINC000868132827 656141651 /nfs/dbraw/zinc/14/16/51/656141651.db2.gz OBGXUVRMEHKTBV-UHFFFAOYSA-N 1 0 387.278 1.428 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000868163212 656142421 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GDADRO COC[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1cccc(Br)c1 ZINC000868389758 656153758 /nfs/dbraw/zinc/15/37/58/656153758.db2.gz UCCGHMYMIOLUDD-RISCZKNCSA-N 1 0 384.274 1.073 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868416717 656154804 /nfs/dbraw/zinc/15/48/04/656154804.db2.gz BHHCGYWUFCOELE-LSDHHAIUSA-N 1 0 398.276 1.900 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868420662 656155125 /nfs/dbraw/zinc/15/51/25/656155125.db2.gz YFUMYYVYLLUQHR-HUUCEWRRSA-N 1 0 380.286 1.760 20 0 GDADRO CC(=O)N[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1cccc(Br)c1 ZINC000868731949 656167035 /nfs/dbraw/zinc/16/70/35/656167035.db2.gz MOWRTEWDBSELEV-QXSJWSMHSA-N 1 0 380.286 1.645 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(I)nn2C)C1 ZINC000868809290 656169757 /nfs/dbraw/zinc/16/97/57/656169757.db2.gz ISVIRBKQIPLNCL-JTQLQIEISA-N 1 0 376.242 1.579 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(Br)cn3ccnc23)[C@@H](C)CN1CCO ZINC000868897490 656173676 /nfs/dbraw/zinc/17/36/76/656173676.db2.gz YLTOMEJAWQEADD-RYUDHWBXSA-N 1 0 381.274 1.624 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cn2ccc(Br)cc2=O)CCO1 ZINC000869314271 656190625 /nfs/dbraw/zinc/19/06/25/656190625.db2.gz OQHQBKMXLGJXEG-CQSZACIVSA-N 1 0 386.290 1.180 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(Br)ncc1Br ZINC000869461322 656197286 /nfs/dbraw/zinc/19/72/86/656197286.db2.gz DYUWNWKMDPEDCC-MRVPVSSYSA-N 1 0 393.079 1.403 20 0 GDADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869778045 656207174 /nfs/dbraw/zinc/20/71/74/656207174.db2.gz VFVLLUDXSLTMOM-JTQLQIEISA-N 1 0 382.814 1.825 20 0 GDADRO [NH3+][C@@H](C(=O)NC1CCN(C(=O)C2CC2)CC1)c1cccc(Br)c1 ZINC000870861832 656250810 /nfs/dbraw/zinc/25/08/10/656250810.db2.gz RZBMEQOHISHQOG-OAHLLOKOSA-N 1 0 380.286 1.966 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000870877460 656251305 /nfs/dbraw/zinc/25/13/05/656251305.db2.gz WIANPIIJHNIPAY-DXCKQFNASA-N 1 0 380.286 1.813 20 0 GDADRO COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870895920 656254028 /nfs/dbraw/zinc/25/40/28/656254028.db2.gz OBGVDFHLSRZJGI-WBMJQRKESA-N 1 0 398.301 1.545 20 0 GDADRO [NH3+][C@H](C(=O)N1CCC[C@H](Cn2ccnn2)C1)c1cccc(Br)c1 ZINC000870908909 656254692 /nfs/dbraw/zinc/25/46/92/656254692.db2.gz CQEPWGMTYGSUBP-WFASDCNBSA-N 1 0 378.274 1.979 20 0 GDADRO COc1cc(I)ccc1C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000870938720 656256790 /nfs/dbraw/zinc/25/67/90/656256790.db2.gz UGNXGEAAJGNLNU-NOZJJQNGSA-N 1 0 390.221 1.488 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@@H]2CCC[NH2+]CC2)c1I ZINC000870940002 656256920 /nfs/dbraw/zinc/25/69/20/656256920.db2.gz GHDMXOATVLLQPK-SNVBAGLBSA-N 1 0 376.242 1.941 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000870967113 656259251 /nfs/dbraw/zinc/25/92/51/656259251.db2.gz HQENRTXMAHENFQ-GLQYFDAESA-N 1 0 380.286 1.907 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1Br ZINC000870998654 656259613 /nfs/dbraw/zinc/25/96/13/656259613.db2.gz FDAOXWPBYCVGAP-YUELXQCFSA-N 1 0 394.269 1.765 20 0 GDADRO COC[C@@H](NC(=O)c1cn(CCCC[NH3+])nn1)c1cccc(Br)c1 ZINC000871009392 656260342 /nfs/dbraw/zinc/26/03/42/656260342.db2.gz PSAMKFPGJFLLHZ-OAHLLOKOSA-N 1 0 396.289 1.897 20 0 GDADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000871810544 656281172 /nfs/dbraw/zinc/28/11/72/656281172.db2.gz NRCZJPHVHPLYLO-CYBMUJFWSA-N 1 0 389.315 1.886 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000871813517 656282095 /nfs/dbraw/zinc/28/20/95/656282095.db2.gz JEEXUSUDMCCZBS-SMDDNHRTSA-N 1 0 382.404 1.470 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Br)cn2)C[C@H]1C(F)(F)F ZINC000871813421 656282115 /nfs/dbraw/zinc/28/21/15/656282115.db2.gz ILCWBBYGJGXMME-IONNQARKSA-N 1 0 388.209 1.602 20 0 GDADRO CCOC(=O)c1cccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000871813701 656282262 /nfs/dbraw/zinc/28/22/62/656282262.db2.gz KFNAMHDCHXSIGV-AAEUAGOBSA-N 1 0 380.388 1.621 20 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656378708 /nfs/dbraw/zinc/37/87/08/656378708.db2.gz DJBKWVBMUGTRSX-PHIMTYICSA-N 1 0 377.354 1.957 20 0 GDADRO CCC[N@H+](C)[C@H](CNC(=O)N(C)CCS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000873008760 656383802 /nfs/dbraw/zinc/38/38/02/656383802.db2.gz OVGYLZFWJNUZAI-OAHLLOKOSA-N 1 0 390.937 1.653 20 0 GDADRO CSC1(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC[NH+](C)CC1 ZINC000873018769 656384230 /nfs/dbraw/zinc/38/42/30/656384230.db2.gz YGAZXXGPGUCVNJ-GOOCMWNKSA-N 1 0 389.587 1.469 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1C(F)(F)F ZINC000873107306 656386685 /nfs/dbraw/zinc/38/66/85/656386685.db2.gz NLYWFLGWJBWEFT-VXNVDRBHSA-N 1 0 395.179 1.378 20 0 GDADRO OC1CCN(CC[NH2+]Cc2cccc(F)c2I)CC1 ZINC000873128822 656387593 /nfs/dbraw/zinc/38/75/93/656387593.db2.gz AOZONNQUGINRJU-UHFFFAOYSA-N 1 0 378.229 1.977 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873822240 656419347 /nfs/dbraw/zinc/41/93/47/656419347.db2.gz ZLYAGRWLKBXWGX-UHFFFAOYSA-N 1 0 396.285 1.877 20 0 GDADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)cc1 ZINC000921909522 656426482 /nfs/dbraw/zinc/42/64/82/656426482.db2.gz XXTODZFMSGNDHB-CQSZACIVSA-N 1 0 389.315 1.981 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000874171105 656447637 /nfs/dbraw/zinc/44/76/37/656447637.db2.gz QBHWJTGJYNTXTA-XHDPSFHLSA-N 1 0 396.285 1.949 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1Br ZINC000874171458 656447887 /nfs/dbraw/zinc/44/78/87/656447887.db2.gz DFJRXHDVEVFMBX-SMDDNHRTSA-N 1 0 396.285 1.949 20 0 GDADRO C[N@H+](CCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)CCOCCO ZINC000922128946 656459159 /nfs/dbraw/zinc/45/91/59/656459159.db2.gz NEMBJZVGBRWRSY-HYVNUMGLSA-N 1 0 397.313 1.392 20 0 GDADRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000922154793 656460063 /nfs/dbraw/zinc/46/00/63/656460063.db2.gz ZOGDCQOTXREDJV-CQSZACIVSA-N 1 0 391.262 1.709 20 0 GDADRO CCn1c(C[NH2+]C[C@H]2CC(=O)N(C)C2)nc(Br)c1Br ZINC000922247794 656464184 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386.587 1.640 20 0 GDADRO O=C(c1ccc(Cl)cc1)N1CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923594258 656573723 /nfs/dbraw/zinc/57/37/23/656573723.db2.gz HWEMPSKXGIRKPI-INIZCTEOSA-N 1 0 385.917 1.570 20 0 GDADRO O=C(c1cccc(Cl)c1)N1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923594893 656573826 /nfs/dbraw/zinc/57/38/26/656573826.db2.gz OGHXLYKFAFCROX-MRXNPFEDSA-N 1 0 385.917 1.570 20 0 GDADRO O=S(=O)(NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000923613116 656577458 /nfs/dbraw/zinc/57/74/58/656577458.db2.gz BTWAZEZKZOAYTI-GXTWGEPZSA-N 1 0 382.404 1.117 20 0 GDADRO O=S(=O)(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1C[NH2+]C1 ZINC000923628121 656578530 /nfs/dbraw/zinc/57/85/30/656578530.db2.gz OWKVVJDVMSSMFQ-VIFPVBQESA-N 1 0 384.811 1.224 20 0 GDADRO CN1CC[C@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000923633030 656578842 /nfs/dbraw/zinc/57/88/42/656578842.db2.gz ZEZJRMHOOTTYKO-KCXAZCMYSA-N 1 0 375.897 1.896 20 0 GDADRO 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378.853 1.871 20 0 GDADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000923699867 656592595 /nfs/dbraw/zinc/59/25/95/656592595.db2.gz PLYXHOAVWPJGHL-JTQLQIEISA-N 1 0 391.287 1.678 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC[C@@H]1C[NH3+] ZINC000923702363 656593084 /nfs/dbraw/zinc/59/30/84/656593084.db2.gz OLYVXWYSOKJDPI-GHMZBOCLSA-N 1 0 382.454 1.288 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ncc(Br)s2)CC1 ZINC000876286714 656593362 /nfs/dbraw/zinc/59/33/62/656593362.db2.gz HFTCFOITXQSHTL-UHFFFAOYSA-N 1 0 391.335 1.940 20 0 GDADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2N1 ZINC000923721324 656594999 /nfs/dbraw/zinc/59/49/99/656594999.db2.gz ZFZFHKUXGGFFCD-QWHCGFSZSA-N 1 0 383.901 1.845 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CC[C@]2(C1)CCCC[NH2+]2)C(F)F ZINC000923734397 656595966 /nfs/dbraw/zinc/59/59/66/656595966.db2.gz AEAMUFOQAUDILR-HNNXBMFYSA-N 1 0 394.465 1.590 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)ccc1F ZINC000923735046 656595992 /nfs/dbraw/zinc/59/59/92/656595992.db2.gz GIGMZSUVWQNQPJ-OAHLLOKOSA-N 1 0 376.475 1.136 20 0 GDADRO O=c1[nH]cc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC[NH2+]3)c3ccccc32)s1 ZINC000923744965 656597294 /nfs/dbraw/zinc/59/72/94/656597294.db2.gz QOKVWZRZADJRMH-NEPJUHHUSA-N 1 0 381.479 1.520 20 0 GDADRO O=C(NCCOC(F)(F)C(F)(F)F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000876357290 656602381 /nfs/dbraw/zinc/60/23/81/656602381.db2.gz LOJUMCNIAQSFEO-NSHDSACASA-N 1 0 375.338 1.522 20 0 GDADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cc(Br)oc1C ZINC000876475167 656607310 /nfs/dbraw/zinc/60/73/10/656607310.db2.gz LTKTVHBCKZUCAA-OAHLLOKOSA-N 1 0 375.263 1.770 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000876532484 656611042 /nfs/dbraw/zinc/61/10/42/656611042.db2.gz HRZWXKIKHZZHQU-JTQLQIEISA-N 1 0 376.242 1.662 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)c2cc(I)nn2C)CC1 ZINC000876539793 656611702 /nfs/dbraw/zinc/61/17/02/656611702.db2.gz BPPIPTNBTGJBIA-UHFFFAOYSA-N 1 0 376.242 1.486 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)s1 ZINC000876571548 656615197 /nfs/dbraw/zinc/61/51/97/656615197.db2.gz ZWWKEFVZJQDCBZ-SMDDNHRTSA-N 1 0 377.507 1.342 20 0 GDADRO COc1nc(-c2noc(COC3CC[NH+](C)CC3)n2)ncc1Br ZINC000923978186 656615815 /nfs/dbraw/zinc/61/58/15/656615815.db2.gz NIQJLJIWPDESIO-UHFFFAOYSA-N 1 0 384.234 1.909 20 0 GDADRO [NH3+]C[C@@H]1[C@H](C(=O)NCCNC(=O)c2cccc(Br)c2)C1(F)F ZINC000876636815 656620262 /nfs/dbraw/zinc/62/02/62/656620262.db2.gz DQOHWSBTNABPCW-GHMZBOCLSA-N 1 0 376.201 1.135 20 0 GDADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876661019 656622273 /nfs/dbraw/zinc/62/22/73/656622273.db2.gz KCVRPXIJQBWLEN-STQMWFEESA-N 1 0 379.404 1.245 20 0 GDADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000876659110 656622365 /nfs/dbraw/zinc/62/23/65/656622365.db2.gz NPKCYVQKBRNAMN-MVZIDQBPSA-N 1 0 383.436 1.220 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876695512 656625520 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/nfs/dbraw/zinc/72/07/42/656720742.db2.gz OQSDVCYIEILMBF-YPMHNXCESA-N 1 0 391.331 1.885 20 0 GDADRO CC[S@](C)(=O)=NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000925833017 656723252 /nfs/dbraw/zinc/72/32/52/656723252.db2.gz RBWKWQWQZLEJJF-DEOSSOPVSA-N 1 0 389.543 1.483 20 0 GDADRO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)N1CCNCC[NH2+]CC1 ZINC000925992084 656729096 /nfs/dbraw/zinc/72/90/96/656729096.db2.gz GVQNZLNQXILISK-UHFFFAOYSA-N 1 0 383.949 1.920 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000926023825 656730942 /nfs/dbraw/zinc/73/09/42/656730942.db2.gz FPFLVMBTGKOBGY-INIZCTEOSA-N 1 0 394.273 1.952 20 0 GDADRO Cn1cc(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc(Br)c1=O ZINC000926063650 656733158 /nfs/dbraw/zinc/73/31/58/656733158.db2.gz CUJDIYMXQYKIGI-GFCCVEGCSA-N 1 0 399.289 1.510 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000926080463 656734873 /nfs/dbraw/zinc/73/48/73/656734873.db2.gz WTRLNDOXLPKTIZ-ZDUSSCGKSA-N 1 0 393.200 1.748 20 0 GDADRO Cc1c(NC(=O)N2CCNCC[NH2+]CC2)cnc(Cl)c1Br ZINC000926093965 656735304 /nfs/dbraw/zinc/73/53/04/656735304.db2.gz VUIBDCYHEAKLOT-UHFFFAOYSA-N 1 0 376.686 1.833 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cc(C)cnc1Br)C2 ZINC000926122075 656737054 /nfs/dbraw/zinc/73/70/54/656737054.db2.gz BLIVNVKFPLKCMK-USBNGQNGSA-N 1 0 397.273 1.897 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc[nH]c(=O)c1Br)C2 ZINC000926152524 656739113 /nfs/dbraw/zinc/73/91/13/656739113.db2.gz BRVMWLUXCJCJTJ-LGIULTMTSA-N 1 0 398.301 1.759 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)C2 ZINC000926167646 656739633 /nfs/dbraw/zinc/73/96/33/656739633.db2.gz USWIHJJPYOMRJX-LNCBFAARSA-N 1 0 386.539 1.361 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926286392 656743953 /nfs/dbraw/zinc/74/39/53/656743953.db2.gz LQTAACFIYNLDLZ-LBPRGKRZSA-N 1 0 385.917 1.716 20 0 GDADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926306775 656747321 /nfs/dbraw/zinc/74/73/21/656747321.db2.gz HRCTXWCWXVWQGO-LBPRGKRZSA-N 1 0 387.311 1.534 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)C2 ZINC000926407984 656753079 /nfs/dbraw/zinc/75/30/79/656753079.db2.gz CZZHBNMMAJENQN-CYBMUJFWSA-N 1 0 394.313 1.840 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2COC[C@@H]2C)c1 ZINC000926416752 656753502 /nfs/dbraw/zinc/75/35/02/656753502.db2.gz DRYKVPWFWOEKMV-WCQYABFASA-N 1 0 377.304 1.660 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cccc(Br)n1 ZINC000926420819 656753505 /nfs/dbraw/zinc/75/35/05/656753505.db2.gz MYOHECVOYHCLAZ-NWDGAFQWSA-N 1 0 391.335 1.766 20 0 GDADRO C[NH+]1CCC(NC(=O)CN2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000878875592 656755166 /nfs/dbraw/zinc/75/51/66/656755166.db2.gz CJQBJSKJUMUNPB-HNNXBMFYSA-N 1 0 397.317 1.508 20 0 GDADRO C[C@H](NC(=O)Cc1c(Br)cnn1C)C1([NH+]2CCOCC2)CCCC1 ZINC000878976574 656764424 /nfs/dbraw/zinc/76/44/24/656764424.db2.gz GHKQKSKWYLHKBR-ZDUSSCGKSA-N 1 0 399.333 1.875 20 0 GDADRO C[C@H](Sc1nc(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cs1)C(N)=O ZINC000878991696 656765477 /nfs/dbraw/zinc/76/54/77/656765477.db2.gz YPWRHDOMTDCXNS-CRMUJIHISA-N 1 0 382.555 1.783 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)NCC(C)(C)CS(C)(=O)=O)CC1 ZINC000926735294 656777660 /nfs/dbraw/zinc/77/76/60/656777660.db2.gz DRSPYCKVCZWKKK-UHFFFAOYSA-N 1 0 377.551 1.200 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000926783203 656779609 /nfs/dbraw/zinc/77/96/09/656779609.db2.gz DIUJUXRSMFZSBK-KBPBESRZSA-N 1 0 377.551 1.987 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000926787744 656779994 /nfs/dbraw/zinc/77/99/94/656779994.db2.gz VPJQBIVRLVDQCY-XGUBFFRZSA-N 1 0 375.535 1.692 20 0 GDADRO COc1cc([C@H](C)[NH2+]CC[C@H]2CNC(=O)C2)ccc1S(=O)(=O)C(F)F ZINC000926988972 656785950 /nfs/dbraw/zinc/78/59/50/656785950.db2.gz UOBJLNBZBUJOCQ-WDEREUQCSA-N 1 0 376.425 1.868 20 0 GDADRO Cn1ncc(Br)c1CC(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000879332231 656788432 /nfs/dbraw/zinc/78/84/32/656788432.db2.gz YONGFIVPPSAQNI-UHFFFAOYSA-N 1 0 382.262 1.699 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(I)cc1 ZINC000927035689 656788726 /nfs/dbraw/zinc/78/87/26/656788726.db2.gz WFTAQGLMPBOQAZ-CABZTGNLSA-N 1 0 383.251 1.347 20 0 GDADRO COC(=O)C1=NO[C@]2(CC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)C1 ZINC000879481825 656797481 /nfs/dbraw/zinc/79/74/81/656797481.db2.gz HXHXJKQJDCNEPX-GDBMZVCRSA-N 1 0 383.242 1.876 20 0 GDADRO Cc1ccc(NC(=O)NCC[N@@H+](C)CCOCCO)nc1Br ZINC000879511197 656800028 /nfs/dbraw/zinc/80/00/28/656800028.db2.gz FTRWGYBGNPGZHH-UHFFFAOYSA-N 1 0 375.267 1.215 20 0 GDADRO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)ccc1Br ZINC000879532865 656801411 /nfs/dbraw/zinc/80/14/11/656801411.db2.gz GJWKPGXOMYIURP-RTXFEEFZSA-N 1 0 394.269 1.631 20 0 GDADRO C[NH+](C)C[C@H]1NC(=O)N(c2ccc(I)c(Cl)c2)C1=O ZINC000927278336 656802848 /nfs/dbraw/zinc/80/28/48/656802848.db2.gz SIYGLSVANXKKCJ-SNVBAGLBSA-N 1 0 393.612 1.931 20 0 GDADRO CN1CC[NH+](C2CCN(Cc3cc(Cl)cc(S(N)(=O)=O)c3)CC2)CC1 ZINC000879595792 656808200 /nfs/dbraw/zinc/80/82/00/656808200.db2.gz DTVFAQDOVQDNOF-UHFFFAOYSA-N 1 0 386.949 1.199 20 0 GDADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Nc1cc(Br)nn1C ZINC000879635442 656809151 /nfs/dbraw/zinc/80/91/51/656809151.db2.gz NICKBNBRUUKALJ-UHFFFAOYSA-N 1 0 386.294 1.759 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cc(Br)nn1C ZINC000879637673 656810834 /nfs/dbraw/zinc/81/08/34/656810834.db2.gz VGACTRPJLNSYMW-NSHDSACASA-N 1 0 375.315 1.576 20 0 GDADRO Cc1c(Br)cc(C(=O)NCc2cc(N(C)C)cc[nH+]2)c(=O)n1C ZINC000927699152 656826249 /nfs/dbraw/zinc/82/62/49/656826249.db2.gz MIUJOROOZKTCTG-UHFFFAOYSA-N 1 0 379.258 1.847 20 0 GDADRO CN(C)c1cc[nH+]c(CNC(=O)c2c(I)cnn2C)c1 ZINC000927697118 656826307 /nfs/dbraw/zinc/82/63/07/656826307.db2.gz FDIMGUAVMGVRAJ-UHFFFAOYSA-N 1 0 385.209 1.416 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000927813757 656841194 /nfs/dbraw/zinc/84/11/94/656841194.db2.gz LKYYQEMANYUGGT-ZJUUUORDSA-N 1 0 398.257 1.131 20 0 GDADRO O=C(Nc1ccccc1Br)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000927820704 656842185 /nfs/dbraw/zinc/84/21/85/656842185.db2.gz LKEVWUGTRHYSLB-LBPRGKRZSA-N 1 0 396.285 1.663 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC[C@H]1C(F)(F)F ZINC000927846927 656844476 /nfs/dbraw/zinc/84/44/76/656844476.db2.gz SARMOWKKCRMGCC-HTQZYQBOSA-N 1 0 394.444 1.609 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC[C@@H]1C(F)(F)F ZINC000927847286 656845053 /nfs/dbraw/zinc/84/50/53/656845053.db2.gz VCIKJENGEHTWGP-NTSWFWBYSA-N 1 0 390.309 1.839 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C[C@H]1[NH3+] ZINC000927853260 656845360 /nfs/dbraw/zinc/84/53/60/656845360.db2.gz IBSXGLGKUOYUST-SNVBAGLBSA-N 1 0 376.201 1.862 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C[C@@H]1[NH3+] ZINC000927851313 656845465 /nfs/dbraw/zinc/84/54/65/656845465.db2.gz AMCONTMPOXTTIR-JTQLQIEISA-N 1 0 376.201 1.862 20 0 GDADRO O=C(NCCCCCN1CC[NH2+]CC1)C(=O)Nc1cccc(Br)c1 ZINC000927870155 656847318 /nfs/dbraw/zinc/84/73/18/656847318.db2.gz NHOMJUKAEQIPHY-UHFFFAOYSA-N 1 0 397.317 1.579 20 0 GDADRO O=C(NCCCCCN1CC[NH2+]CC1)C(=O)Nc1ccc(Br)cc1 ZINC000927869630 656847501 /nfs/dbraw/zinc/84/75/01/656847501.db2.gz DQZGAYJWRDAHCZ-UHFFFAOYSA-N 1 0 397.317 1.579 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)c1F ZINC000927882492 656849547 /nfs/dbraw/zinc/84/95/47/656849547.db2.gz JSSUGOMEPADTCO-OAHLLOKOSA-N 1 0 388.237 1.147 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)c(Br)c1 ZINC000927882200 656849623 /nfs/dbraw/zinc/84/96/23/656849623.db2.gz LCBXGJMCSKTCRI-INIZCTEOSA-N 1 0 384.274 1.317 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000927931025 656855214 /nfs/dbraw/zinc/85/52/14/656855214.db2.gz DBNHGYVDAYYGJJ-INIZCTEOSA-N 1 0 381.274 1.836 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cn(C)nc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000880052939 656859095 /nfs/dbraw/zinc/85/90/95/656859095.db2.gz ZIKQMGPTFOOPPS-JSGCOSHPSA-N 1 0 399.337 1.672 20 0 GDADRO C[C@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@H](C(F)(F)F)O1 ZINC000880055060 656859760 /nfs/dbraw/zinc/85/97/60/656859760.db2.gz QKSDNTANXCWUQX-SMDDNHRTSA-N 1 0 382.404 1.755 20 0 GDADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000880135103 656870300 /nfs/dbraw/zinc/87/03/00/656870300.db2.gz QNSUDXMPCIUTML-HOTGVXAUSA-N 1 0 385.917 1.851 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cs1)C(N)=O ZINC000880149946 656870725 /nfs/dbraw/zinc/87/07/25/656870725.db2.gz KZMIMUJNOQKFHZ-NWDGAFQWSA-N 1 0 382.555 1.594 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cs1)C(N)=O ZINC000880149947 656870835 /nfs/dbraw/zinc/87/08/35/656870835.db2.gz KZMIMUJNOQKFHZ-RYUDHWBXSA-N 1 0 382.555 1.594 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cccn(CC(F)(F)F)c1=O ZINC000928102876 656874581 /nfs/dbraw/zinc/87/45/81/656874581.db2.gz OMOHAPIPSYABMP-OLZOCXBDSA-N 1 0 375.416 1.720 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N2CC[N@H+](CC)C[C@@H]2CC)cs1)C(N)=O ZINC000880227558 656877399 /nfs/dbraw/zinc/87/73/99/656877399.db2.gz QMXHCRRMHHZNEK-KBPBESRZSA-N 1 0 384.571 1.984 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cn2nc(Br)c(Br)n2)CC[N@@H+]1C ZINC000928425388 656901483 /nfs/dbraw/zinc/90/14/83/656901483.db2.gz IIDRLCAXFSWQDU-BQBZGAKWSA-N 1 0 381.072 1.012 20 0 GDADRO C[C@H]1[C@H](NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000928449989 656902521 /nfs/dbraw/zinc/90/25/21/656902521.db2.gz AXBPSDRLRSWZMT-GXFFZTMASA-N 1 0 394.324 1.871 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[N@@H+]1C ZINC000928450534 656903057 /nfs/dbraw/zinc/90/30/57/656903057.db2.gz JDGCBIVZCNKUMM-RNCFNFMXSA-N 1 0 380.242 1.254 20 0 GDADRO C[N@@H+]1CC[C@H]1CNC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000928558956 656916174 /nfs/dbraw/zinc/91/61/74/656916174.db2.gz ZPEGRWMZQKYXSD-ZDUSSCGKSA-N 1 0 379.507 1.576 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000881271778 656925200 /nfs/dbraw/zinc/92/52/00/656925200.db2.gz WCEOMEYTPRDWIM-SECBINFHSA-N 1 0 383.246 1.853 20 0 GDADRO [NH3+][C@H](Cc1cn(CCn2cnc(Br)n2)nn1)Cc1ccccc1 ZINC000881377209 656932017 /nfs/dbraw/zinc/93/20/17/656932017.db2.gz IMTXFUJVCAJBAJ-ZDUSSCGKSA-N 1 0 376.262 1.445 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)Cn1ccc(Br)cc1=O)c1cccnc1 ZINC000928827288 656934422 /nfs/dbraw/zinc/93/44/22/656934422.db2.gz GTAVYAUCSOGBER-OAHLLOKOSA-N 1 0 393.285 1.815 20 0 GDADRO Cn1ncc(I)c1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000881448265 656938000 /nfs/dbraw/zinc/93/80/00/656938000.db2.gz LQMGFRRBQMROMX-NSHDSACASA-N 1 0 390.269 1.905 20 0 GDADRO O=C(c1cc(Br)c[nH]c1=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881479054 656939830 /nfs/dbraw/zinc/93/98/30/656939830.db2.gz OWYWBVIURACPBF-ZDUSSCGKSA-N 1 0 384.274 1.923 20 0 GDADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C(=O)c2ccc(Cl)s2)CC1 ZINC000881624157 656942288 /nfs/dbraw/zinc/94/22/88/656942288.db2.gz HDHIXOCLFTXFKC-UHFFFAOYSA-N 1 0 383.901 1.917 20 0 GDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000928946414 656944073 /nfs/dbraw/zinc/94/40/73/656944073.db2.gz SSJLNDDCZYHGII-GJZGRUSLSA-N 1 0 394.317 1.683 20 0 GDADRO CC(C)C[NH+]1CCN(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000929091817 656947487 /nfs/dbraw/zinc/94/74/87/656947487.db2.gz ODMUDHXJLULIFN-INIZCTEOSA-N 1 0 375.579 1.262 20 0 GDADRO CN(C)[S@@](C)(=O)=NS(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000881812020 656964729 /nfs/dbraw/zinc/96/47/29/656964729.db2.gz ZIOHKEYXJNMIEN-DEOSSOPVSA-N 1 0 388.559 1.307 20 0 GDADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000929607884 656974931 /nfs/dbraw/zinc/97/49/31/656974931.db2.gz DVVSPMBQDFUHTQ-LBPRGKRZSA-N 1 0 381.464 1.872 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)C2(n3cc(Br)cn3)CC2)C[C@H](C)O1 ZINC000929630105 656976271 /nfs/dbraw/zinc/97/62/71/656976271.db2.gz BCDRSNZEVNNFSH-STQMWFEESA-N 1 0 385.306 1.750 20 0 GDADRO Cc1cc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cnc1Br ZINC000929848569 656987784 /nfs/dbraw/zinc/98/77/84/656987784.db2.gz NGRFBTXNUSPNHG-HNNXBMFYSA-N 1 0 381.318 1.891 20 0 GDADRO O=S(=O)(CC=C(Cl)Cl)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000881931025 656995979 /nfs/dbraw/zinc/99/59/79/656995979.db2.gz SBJXFPPRDWRSGP-HNNXBMFYSA-N 1 0 379.309 1.862 20 0 GDADRO CC(=O)OC1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000930080837 656999519 /nfs/dbraw/zinc/99/95/19/656999519.db2.gz WEVISBQHAMXAEY-OAHLLOKOSA-N 1 0 376.519 1.015 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000930145208 657002994 /nfs/dbraw/zinc/00/29/94/657002994.db2.gz IIMHKPSLTFJFLS-SMDDNHRTSA-N 1 0 398.301 1.673 20 0 GDADRO COCC1(C)CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000930180430 657006189 /nfs/dbraw/zinc/00/61/89/657006189.db2.gz XAECMEKFSSASAC-HNNXBMFYSA-N 1 0 376.563 1.736 20 0 GDADRO CCC[C@H](C(=O)OCC)S(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000882007433 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/nfs/dbraw/zinc/32/21/61/659322161.db2.gz LMXYLDPOQODADJ-UHFFFAOYSA-N 1 0 381.420 1.267 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)NC[C@@H]1CCCC[NH2+]1 ZINC000903512986 659322605 /nfs/dbraw/zinc/32/26/05/659322605.db2.gz MKSPRLUZYUWXMH-NSHDSACASA-N 1 0 391.287 1.739 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)s1 ZINC000903521350 659327706 /nfs/dbraw/zinc/32/77/06/659327706.db2.gz RVZBVSDEUBWCBG-UHFFFAOYSA-N 1 0 390.527 1.929 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903521694 659328094 /nfs/dbraw/zinc/32/80/94/659328094.db2.gz CSSDQFHODYOUKB-BDAKNGLRSA-N 1 0 379.276 1.723 20 0 GDADRO C[C@@]1(NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC[NH2+]C1 ZINC000903524844 659329088 /nfs/dbraw/zinc/32/90/88/659329088.db2.gz BOINOOUWXRTLHS-CYBMUJFWSA-N 1 0 377.260 1.349 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)Cc1cccc(F)c1Br ZINC000903525531 659329503 /nfs/dbraw/zinc/32/95/03/659329503.db2.gz UECZXPPCDPRGHK-UHFFFAOYSA-N 1 0 383.283 1.586 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903530250 659331302 /nfs/dbraw/zinc/33/13/02/659331302.db2.gz UULIWQMLKGJWOW-LDYMZIIASA-N 1 0 377.260 1.122 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CCC[C@H]4CC[C@@]43C[NH3+])cc2C1 ZINC000903532138 659331619 /nfs/dbraw/zinc/33/16/19/659331619.db2.gz UHLWYEQIDYYXEV-WMLDXEAASA-N 1 0 383.539 1.545 20 0 GDADRO COc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c(OC)cc1Br ZINC000903534810 659332058 /nfs/dbraw/zinc/33/20/58/659332058.db2.gz IVSSCHGOCCCFFB-ZJUUUORDSA-N 1 0 393.303 1.600 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903537211 659332773 /nfs/dbraw/zinc/33/27/73/659332773.db2.gz PDFQGQJUXUXPGL-CXAGYDPISA-N 1 0 385.917 1.934 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c(C)c1Cl ZINC000903538240 659333302 /nfs/dbraw/zinc/33/33/02/659333302.db2.gz SWLWCVWKUQRRNT-UHFFFAOYSA-N 1 0 396.918 1.625 20 0 GDADRO COCCN(C(C)=O)c1nc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cs1 ZINC000903541190 659333777 /nfs/dbraw/zinc/33/37/77/659333777.db2.gz SZHBEBGEEPUOAE-CHWSQXEVSA-N 1 0 380.436 1.854 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000903544704 659335835 /nfs/dbraw/zinc/33/58/35/659335835.db2.gz VILMLMJQTNYBSA-LBPRGKRZSA-N 1 0 379.404 1.537 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1OC(F)F ZINC000903545655 659336266 /nfs/dbraw/zinc/33/62/66/659336266.db2.gz ZXDZCMDSZWIECP-LBPRGKRZSA-N 1 0 376.425 1.725 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903560513 659340650 /nfs/dbraw/zinc/34/06/50/659340650.db2.gz HLWMCVNHQRZORO-CYZMBNFOSA-N 1 0 387.889 1.222 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(I)c1 ZINC000903563755 659342263 /nfs/dbraw/zinc/34/22/63/659342263.db2.gz GOTQSUCNAGSAES-ADEWGFFLSA-N 1 0 378.235 1.462 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(I)cc1 ZINC000903564903 659342595 /nfs/dbraw/zinc/34/25/95/659342595.db2.gz NNRNDXILVYVQDT-ADEWGFFLSA-N 1 0 378.235 1.462 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCN2CCC([NH3+])CC2)cc1Br ZINC000903566729 659343857 /nfs/dbraw/zinc/34/38/57/659343857.db2.gz ZVRGJHLVINFZFY-UHFFFAOYSA-N 1 0 376.320 1.459 20 0 GDADRO CCOc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1OCC ZINC000903569912 659344187 /nfs/dbraw/zinc/34/41/87/659344187.db2.gz OQODFKZRJKZVJR-VXGBXAGGSA-N 1 0 382.404 1.994 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)ccc1Br ZINC000903571005 659344679 /nfs/dbraw/zinc/34/46/79/659344679.db2.gz MKPSRQMMFMUBEE-KYZUINATSA-N 1 0 377.260 1.251 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(Br)cn2)CC[C@H]1C(F)(F)F ZINC000903578086 659348895 /nfs/dbraw/zinc/34/88/95/659348895.db2.gz BJBBIPUVEDZICY-BDAKNGLRSA-N 1 0 388.209 1.744 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)s1 ZINC000903578224 659349147 /nfs/dbraw/zinc/34/91/47/659349147.db2.gz DEDHZSHTOFOEIS-RYUDHWBXSA-N 1 0 399.460 1.327 20 0 GDADRO COCc1ccc(OC)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903578461 659349447 /nfs/dbraw/zinc/34/94/47/659349447.db2.gz HYXLZORGLSPUPB-RYUDHWBXSA-N 1 0 382.404 1.742 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC[C@H]1C(F)(F)F ZINC000903578627 659349483 /nfs/dbraw/zinc/34/94/83/659349483.db2.gz JAAMGLORCFJGJW-NEPJUHHUSA-N 1 0 376.356 1.693 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903579704 659350145 /nfs/dbraw/zinc/35/01/45/659350145.db2.gz PBYWBJFDQWIHCR-STQMWFEESA-N 1 0 380.388 1.764 20 0 GDADRO CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903579835 659350425 /nfs/dbraw/zinc/35/04/25/659350425.db2.gz QSRZCNRQALDZNQ-CHWSQXEVSA-N 1 0 379.404 1.935 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)CC[C@H]1C(F)(F)F ZINC000903579907 659350454 /nfs/dbraw/zinc/35/04/54/659350454.db2.gz RDEXDVAIQVXDFT-RNFRBKRXSA-N 1 0 377.182 1.942 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)n1 ZINC000903581469 659351852 /nfs/dbraw/zinc/35/18/52/659351852.db2.gz MHZPQNGJCVZXSR-RNFRBKRXSA-N 1 0 391.213 1.083 20 0 GDADRO COC(=O)c1ccc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903581736 659352176 /nfs/dbraw/zinc/35/21/76/659352176.db2.gz WGUVATSEUDYUED-OLZOCXBDSA-N 1 0 380.388 1.515 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1ccc(I)s1 ZINC000903582988 659352693 /nfs/dbraw/zinc/35/26/93/659352693.db2.gz ANHHCLZHXDABND-KWQFWETISA-N 1 0 398.291 1.855 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)C[C@H]1[NH3+] ZINC000903584552 659353674 /nfs/dbraw/zinc/35/36/74/659353674.db2.gz NZHFWHBTEIBEFX-CYBMUJFWSA-N 1 0 391.287 1.578 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)s1 ZINC000903586823 659354466 /nfs/dbraw/zinc/35/44/66/659354466.db2.gz KCAQYJJIRHMZSG-ZDUSSCGKSA-N 1 0 387.571 1.811 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000903590320 659356374 /nfs/dbraw/zinc/35/63/74/659356374.db2.gz UUZOOMJSIMJPOF-UHFFFAOYSA-N 1 0 382.935 1.503 20 0 GDADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CCC[C@]12CC[NH2+]C2 ZINC000903593695 659357613 /nfs/dbraw/zinc/35/76/13/659357613.db2.gz SKGOBOPIUBZLIJ-OAHLLOKOSA-N 1 0 387.299 1.901 20 0 GDADRO CN(Cc1c(F)cccc1Cl)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903713993 659377281 /nfs/dbraw/zinc/37/72/81/659377281.db2.gz JLMGSFOFBDLZGP-BXKDBHETSA-N 1 0 381.757 1.786 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903735548 659378499 /nfs/dbraw/zinc/37/84/99/659378499.db2.gz BMBRFPUDIGIVPT-BBRMVZONSA-N 1 0 383.290 1.483 20 0 GDADRO O=C(C(=O)N1CCS[C@@H](C(F)(F)F)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000903766237 659379542 /nfs/dbraw/zinc/37/95/42/659379542.db2.gz ZNMKVJWOXWFXIJ-QWHCGFSZSA-N 1 0 379.448 1.483 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC[C@H]1F ZINC000903801022 659381377 /nfs/dbraw/zinc/38/13/77/659381377.db2.gz LJEMKYHFLTVCLT-MGPQQGTHSA-N 1 0 399.264 1.405 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC[NH2+]1 ZINC000903799949 659381543 /nfs/dbraw/zinc/38/15/43/659381543.db2.gz GTRCDQNDKARGNY-BXUZGUMPSA-N 1 0 381.274 1.328 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1ccc(Cl)cc1Br ZINC000903968918 659390681 /nfs/dbraw/zinc/39/06/81/659390681.db2.gz QIDXLNTWLNUYRM-GFCCVEGCSA-N 1 0 381.723 1.969 20 0 GDADRO C[C@H](C[NH2+]CC[C@H]1CNCCS1(=O)=O)c1cccc(Br)c1 ZINC000903969556 659391198 /nfs/dbraw/zinc/39/11/98/659391198.db2.gz ZUGJBXJAWKMSSG-DOMZBBRYSA-N 1 0 375.332 1.919 20 0 GDADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CNCCS2(=O)=O)c(Cl)c1 ZINC000903970218 659391290 /nfs/dbraw/zinc/39/12/90/659391290.db2.gz SJFWMTQWVJZJAX-KBPBESRZSA-N 1 0 387.933 1.732 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(Cc3c(F)cccc3Cl)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000904080158 659394239 /nfs/dbraw/zinc/39/42/39/659394239.db2.gz XRYAYYYGAJRVQR-PXWWUCIGSA-N 1 0 385.848 1.628 20 0 GDADRO C[C@@]1(CN2CCC(n3nncc3I)CC2)CCC[NH2+]C1 ZINC000904379400 659399579 /nfs/dbraw/zinc/39/95/79/659399579.db2.gz UGJLAXLUFDDTLG-CQSZACIVSA-N 1 0 389.285 1.909 20 0 GDADRO COCCOCCOc1ccc(NC(=O)NC2C[NH2+]C2)cc1Br ZINC000904546982 659403885 /nfs/dbraw/zinc/40/38/85/659403885.db2.gz YNCHHJDWFCCESF-UHFFFAOYSA-N 1 0 388.262 1.584 20 0 GDADRO CCCS(=O)(=O)Cc1noc(C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)n1 ZINC000904688985 659405937 /nfs/dbraw/zinc/40/59/37/659405937.db2.gz GJNJPJGAQBAEDN-SNVBAGLBSA-N 1 0 377.388 1.924 20 0 GDADRO O=C(NCC[NH2+]C[C@H](O)CCC1(O)CCC1)c1cccc(Br)c1 ZINC000905083350 659421245 /nfs/dbraw/zinc/42/12/45/659421245.db2.gz WOWGEQJVBSWFGX-OAHLLOKOSA-N 1 0 385.302 1.825 20 0 GDADRO O[C@H](C[NH2+]CCc1ccc(I)s1)C[C@]1(O)CCOC1 ZINC000905085631 659421724 /nfs/dbraw/zinc/42/17/24/659421724.db2.gz XOOQWBMBTNEWRW-GXFFZTMASA-N 1 0 397.278 1.387 20 0 GDADRO O[C@@H](C[NH2+]CCc1ccc(I)s1)C[C@@]1(O)CCOC1 ZINC000905085633 659421844 /nfs/dbraw/zinc/42/18/44/659421844.db2.gz XOOQWBMBTNEWRW-MFKMUULPSA-N 1 0 397.278 1.387 20 0 GDADRO C[C@@](O)(C[NH2+]C1CCN(CCS(C)(=O)=O)CC1)C(F)(F)C(F)(F)F ZINC000905107196 659424562 /nfs/dbraw/zinc/42/45/62/659424562.db2.gz 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GWHCVCBLHQPTSY-HNNXBMFYSA-N 1 0 385.472 1.566 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571264380 945481015 /nfs/dbraw/zinc/48/10/15/945481015.db2.gz NAUZEWIWEMJWJR-CJNGLKHVSA-N 1 0 385.472 1.292 20 0 GDADRO CCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC001571264335 945481483 /nfs/dbraw/zinc/48/14/83/945481483.db2.gz LTNKQWZDDXVKFP-CQSZACIVSA-N 1 0 385.472 1.293 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)CC[C@H]3CCCO3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266698 945548798 /nfs/dbraw/zinc/54/87/98/945548798.db2.gz XBMGMKXDMJUIFE-SUYBPPKGSA-N 1 0 385.472 1.210 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(F)(F)F ZINC001571267102 945560575 /nfs/dbraw/zinc/56/05/75/945560575.db2.gz JEFCWUMICIFCSD-BXKDBHETSA-N 1 0 386.353 1.895 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CN1C(=O)C1=CCOCC1 ZINC001571269024 945610212 /nfs/dbraw/zinc/61/02/12/945610212.db2.gz MPTILVBYRQOKCF-BLLLJJGKSA-N 1 0 386.431 1.432 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1=CCOCC1 ZINC001571269103 945611702 /nfs/dbraw/zinc/61/17/02/945611702.db2.gz OWKVLUUATXQOCB-CTYIDZIISA-N 1 0 386.431 1.337 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000821088134 945634087 /nfs/dbraw/zinc/63/40/87/945634087.db2.gz KAFFRUNNSYKPRD-ZDUSSCGKSA-N 1 0 375.452 1.879 20 0 GDADRO Cc1nc(C)c(C[NH2+]C2CC(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571271545 945643982 /nfs/dbraw/zinc/64/39/82/945643982.db2.gz DBAYXYKKINDTDB-UHFFFAOYSA-N 1 0 386.485 1.566 20 0 GDADRO Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)s1 ZINC001571271692 945647823 /nfs/dbraw/zinc/64/78/23/945647823.db2.gz HGSKUBWSAKTXDF-JOCQHMNTSA-N 1 0 386.485 1.791 20 0 GDADRO Cc1csc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001571271787 945651004 /nfs/dbraw/zinc/65/10/04/945651004.db2.gz JSEUVIPXOCFTGD-NWDGAFQWSA-N 1 0 386.485 1.791 20 0 GDADRO Cc1ncsc1CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571272108 945655287 /nfs/dbraw/zinc/65/52/87/945655287.db2.gz PMDWKKONKMRKQC-LBPRGKRZSA-N 1 0 386.485 1.254 20 0 GDADRO Cc1c[nH]c(C(=O)NCC2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)n1 ZINC001571272126 945656819 /nfs/dbraw/zinc/65/68/19/945656819.db2.gz QASHZIGUKUKECN-UHFFFAOYSA-N 1 0 386.485 1.602 20 0 GDADRO CC[C@@H](C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[nH]n2)cn1)[NH+](C)C ZINC001571272297 945659777 /nfs/dbraw/zinc/65/97/77/945659777.db2.gz RBZFDGYTGBHCII-CVEARBPZSA-N 1 0 386.504 1.419 20 0 GDADRO CC(C)[C@H](C(=O)N1CCC[C@H](N(C)c2ccncc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571272477 945663311 /nfs/dbraw/zinc/66/33/11/945663311.db2.gz UEMDMWUNDKFNGM-WMLDXEAASA-N 1 0 386.504 1.275 20 0 GDADRO Cc1c[nH]c(C(=O)NC2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)n1 ZINC001571272466 945664220 /nfs/dbraw/zinc/66/42/20/945664220.db2.gz TWDHTMNJVXHKAV-UHFFFAOYSA-N 1 0 386.485 1.744 20 0 GDADRO CCc1ccc([C@H](CNC(=O)Nc2nn(C)cc2-c2nn[nH]n2)[NH+](C)C)cc1 ZINC000821482521 945706954 /nfs/dbraw/zinc/70/69/54/945706954.db2.gz SKCQYBUAISUAPW-HNNXBMFYSA-N 1 0 383.460 1.587 20 0 GDADRO O=C(CC1OCCCO1)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571275889 945718823 /nfs/dbraw/zinc/71/88/23/945718823.db2.gz FADPHJOPTPXMHR-HNNXBMFYSA-N 1 0 386.456 1.100 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC001571277273 945741176 /nfs/dbraw/zinc/74/11/76/945741176.db2.gz OFXKBYILOOQBLV-UHFFFAOYSA-N 1 0 387.394 1.867 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(-c4nn[nH]n4)nc4ccccc43)CC2)C1 ZINC000821623627 945753109 /nfs/dbraw/zinc/75/31/09/945753109.db2.gz ORHUUMWDOCXISR-HNNXBMFYSA-N 1 0 378.484 1.631 20 0 GDADRO CNC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821629909 945758671 /nfs/dbraw/zinc/75/86/71/945758671.db2.gz GIAUEXGHLGINDI-SNVBAGLBSA-N 1 0 391.501 1.059 20 0 GDADRO C[C@@H]1C[C@@H](C[NH+]2CCC(N(C)C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)CCO1 ZINC001571281129 945797509 /nfs/dbraw/zinc/79/75/09/945797509.db2.gz CMYSAGWSDBNIHH-KGLIPLIRSA-N 1 0 387.488 1.546 20 0 GDADRO CCc1nc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c(C)o1 ZINC001571281087 945797539 /nfs/dbraw/zinc/79/75/39/945797539.db2.gz CDFURVJNSVWODL-NSHDSACASA-N 1 0 387.469 1.791 20 0 GDADRO CC1(C)C[N@H+](C[C@@H]2CCCOC2)CC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571281184 945800699 /nfs/dbraw/zinc/80/06/99/945800699.db2.gz FADLSKCERAAMQT-BBRMVZONSA-N 1 0 387.488 1.452 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281856 945815587 /nfs/dbraw/zinc/81/55/87/945815587.db2.gz AXYYGYVCTSGPIF-HUUCEWRRSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2Cc2cc(F)ccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001571281811 945817928 /nfs/dbraw/zinc/81/79/28/945817928.db2.gz OLPBHZMMCZJCBN-UHOFOFEASA-N 1 0 387.463 1.037 20 0 GDADRO CC(=O)N1CC[N@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CC12CCCCC2 ZINC001573450633 945829244 /nfs/dbraw/zinc/82/92/44/945829244.db2.gz LNNJDMSDOLSZSQ-GOSISDBHSA-N 1 0 384.484 1.767 20 0 GDADRO CC(=O)N[C@](C)(C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573452161 945845155 /nfs/dbraw/zinc/84/51/55/945845155.db2.gz BMNCOQDIOLVVFJ-DJJJIMSYSA-N 1 0 387.488 1.012 20 0 GDADRO O=C(c1cncc(F)c1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571282560 945850219 /nfs/dbraw/zinc/85/02/19/945850219.db2.gz KPTMXYRZZWXYNL-CYBMUJFWSA-N 1 0 387.444 1.857 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283140 945878321 /nfs/dbraw/zinc/87/83/21/945878321.db2.gz ZXYVWALKIGQLLO-CJNGLKHVSA-N 1 0 387.463 1.038 20 0 GDADRO CCO[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C[NH2+]CC1CC(C)C1 ZINC001571283183 945879119 /nfs/dbraw/zinc/87/91/19/945879119.db2.gz BACNMYKENFACHL-KWVKFQHESA-N 1 0 387.488 1.308 20 0 GDADRO O=C(NCC1CC[NH+](CCC[C@@H]2CCOC2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571283190 945881701 /nfs/dbraw/zinc/88/17/01/945881701.db2.gz BDYBOEXQWYWIRE-OAHLLOKOSA-N 1 0 387.488 1.453 20 0 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O=C(c1cn2c(n1)CCC2)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317317 946606968 /nfs/dbraw/zinc/60/69/68/946606968.db2.gz CGPVDGLRVFMZRP-MRXNPFEDSA-N 1 0 392.467 1.404 20 0 GDADRO Cc1nsc(N2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c1-c1nn[nH]n1 ZINC001571317625 946616940 /nfs/dbraw/zinc/61/69/40/946616940.db2.gz OSHWPVJIAQTQLI-CQSZACIVSA-N 1 0 392.533 1.257 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1c[nH]nc1C1CC1 ZINC001571317826 946621621 /nfs/dbraw/zinc/62/16/21/946621621.db2.gz WLUOXMGOLVRNHL-HNNXBMFYSA-N 1 0 392.467 1.862 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824377784 946675531 /nfs/dbraw/zinc/67/55/31/946675531.db2.gz NCLMHPYUILBBHR-ZDUSSCGKSA-N 1 0 378.502 1.359 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824413444 946695710 /nfs/dbraw/zinc/69/57/10/946695710.db2.gz LRICPPJUSBICPJ-CQSZACIVSA-N 1 0 393.451 1.442 20 0 GDADRO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573538521 946768910 /nfs/dbraw/zinc/76/89/10/946768910.db2.gz VXWFIGQUCUKYPE-DYVFJYSZSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H](C)N1CCOCC1 ZINC000824548073 946790198 /nfs/dbraw/zinc/79/01/98/946790198.db2.gz VAKKHKRJKBQAMS-IAGOWNOFSA-N 1 0 399.543 1.530 20 0 GDADRO CC(=O)Nc1cccc(C[N@H+](C)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 ZINC001573547243 946828257 /nfs/dbraw/zinc/82/82/57/946828257.db2.gz YWJMDFDXYNZICV-UHFFFAOYSA-N 1 0 382.428 1.015 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824598790 946848989 /nfs/dbraw/zinc/84/89/89/946848989.db2.gz IWCMUOGJHFSUGV-CQSZACIVSA-N 1 0 386.481 1.637 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824975018 947017051 /nfs/dbraw/zinc/01/70/51/947017051.db2.gz IEKVESYFJXGTRP-YOEHRIQHSA-N 1 0 384.488 1.356 20 0 GDADRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000825328412 947153827 /nfs/dbraw/zinc/15/38/27/947153827.db2.gz RXHLVAOIPRMNBN-CYBMUJFWSA-N 1 0 389.479 1.647 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573591532 947312591 /nfs/dbraw/zinc/31/25/91/947312591.db2.gz CJZOUSZXLSMWCA-CHWSQXEVSA-N 1 0 375.477 1.199 20 0 GDADRO CN(C)C(=O)C1CC[NH+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825840797 947344115 /nfs/dbraw/zinc/34/41/15/947344115.db2.gz QTUXPUPWJGZYCR-KRWDZBQOSA-N 1 0 397.483 1.162 20 0 GDADRO C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825908643 947365106 /nfs/dbraw/zinc/36/51/06/947365106.db2.gz KHWNHPIHGAEDFF-RYQLBKOJSA-N 1 0 384.484 1.845 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573594690 947403870 /nfs/dbraw/zinc/40/38/70/947403870.db2.gz CIIPJTFUTGLTCA-LRDDRELGSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001573597293 947434403 /nfs/dbraw/zinc/43/44/03/947434403.db2.gz MSOPOXSWATXTON-CYBMUJFWSA-N 1 0 388.501 1.666 20 0 GDADRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1(C)C ZINC000826144486 947457202 /nfs/dbraw/zinc/45/72/02/947457202.db2.gz LAYCMHSVINABIG-LPTSXCQYSA-N 1 0 376.486 1.683 20 0 GDADRO C[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccnc1 ZINC001573602685 947470762 /nfs/dbraw/zinc/47/07/62/947470762.db2.gz GVQNEBXOJGLWPI-ZDUSSCGKSA-N 1 0 383.431 1.753 20 0 GDADRO C[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1cnn(C)c1 ZINC001573604089 947504395 /nfs/dbraw/zinc/50/43/95/947504395.db2.gz RULMJZDIXZONSN-GFCCVEGCSA-N 1 0 386.435 1.091 20 0 GDADRO C[C@@H](C(=O)N1CCC(N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573614910 947596111 /nfs/dbraw/zinc/59/61/11/947596111.db2.gz BMRJSDNDWIPAAG-JTQLQIEISA-N 1 0 383.378 1.887 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573615182 947600713 /nfs/dbraw/zinc/60/07/13/947600713.db2.gz IQIRMAAHDLAEIS-GJZGRUSLSA-N 1 0 380.456 1.397 20 0 GDADRO C[C@@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573615923 947613572 /nfs/dbraw/zinc/61/35/72/947613572.db2.gz GPNHOKKXZXCNIV-NSHDSACASA-N 1 0 379.415 1.625 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccn1 ZINC001573616968 947632659 /nfs/dbraw/zinc/63/26/59/947632659.db2.gz KHMJLRCPNDOCFO-IUODEOHRSA-N 1 0 384.419 1.154 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573625215 947699828 /nfs/dbraw/zinc/69/98/28/947699828.db2.gz NZDHTKMKVIPARB-OCCSQVGLSA-N 1 0 384.419 1.154 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573367809 947765022 /nfs/dbraw/zinc/76/50/22/947765022.db2.gz ILDGSFNROOUQBV-KSSFIOAISA-N 1 0 384.484 1.810 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC001573368305 947766731 /nfs/dbraw/zinc/76/67/31/947766731.db2.gz MMCSRLKHAAAUJJ-SJCJKPOMSA-N 1 0 388.447 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](CCNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573369817 947775796 /nfs/dbraw/zinc/77/57/96/947775796.db2.gz XHIDWWVSRXPRAK-HNNXBMFYSA-N 1 0 385.472 1.402 20 0 GDADRO CC(=O)CCCC(=O)N1CCC([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573369826 947776391 /nfs/dbraw/zinc/77/63/91/947776391.db2.gz XLKWYWWZTBJEBZ-AWEZNQCLSA-N 1 0 385.472 1.482 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573369851 947777876 /nfs/dbraw/zinc/77/78/76/947777876.db2.gz YCHQYYDADFTQGX-SWLSCSKDSA-N 1 0 385.472 1.258 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@@H]1C ZINC001573373344 947792950 /nfs/dbraw/zinc/79/29/50/947792950.db2.gz IDJIRCXRXJIKCJ-GXTWGEPZSA-N 1 0 376.486 1.767 20 0 GDADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cccc1 ZINC001573637637 947819200 /nfs/dbraw/zinc/81/92/00/947819200.db2.gz LNBPDCVWOMCDNK-INIZCTEOSA-N 1 0 379.468 1.964 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573376271 947834609 /nfs/dbraw/zinc/83/46/09/947834609.db2.gz XASWHGWMABREFJ-GUYCJALGSA-N 1 0 385.472 1.482 20 0 GDADRO Cc1ccc(C[N@H+](CCO)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826288127 947838547 /nfs/dbraw/zinc/83/85/47/947838547.db2.gz SBAQJOJRZANNJX-SFHVURJKSA-N 1 0 383.452 1.409 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(C)(F)F ZINC001573644044 947868216 /nfs/dbraw/zinc/86/82/16/947868216.db2.gz XMIIPZJYIUHFKU-CMPLNLGQSA-N 1 0 382.390 1.988 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001573381377 947872590 /nfs/dbraw/zinc/87/25/90/947872590.db2.gz UKTONNWQWJXABN-MRXNPFEDSA-N 1 0 385.472 1.660 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)c1cccnc1 ZINC001573647037 947883361 /nfs/dbraw/zinc/88/33/61/947883361.db2.gz AXILAPSTKWBIHL-IIAWOOMASA-N 1 0 392.467 1.389 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)n1cccc1 ZINC001573647261 947888929 /nfs/dbraw/zinc/88/89/29/947888929.db2.gz GKGBRDIEHMHCKB-SOUVJXGZSA-N 1 0 378.440 1.219 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573384820 947908231 /nfs/dbraw/zinc/90/82/31/947908231.db2.gz XSUWHPQGRQIMOY-SAZUREKKSA-N 1 0 388.447 1.750 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccn1 ZINC001573650955 947915685 /nfs/dbraw/zinc/91/56/85/947915685.db2.gz GMWCSJXXTXLEON-BMGDILEWSA-N 1 0 392.467 1.357 20 0 GDADRO Cc1nn(C)c(Cl)c1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826333999 947967092 /nfs/dbraw/zinc/96/70/92/947967092.db2.gz CNMMRPJKBFVHMI-UHFFFAOYSA-N 1 0 387.879 1.716 20 0 GDADRO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573657598 948000286 /nfs/dbraw/zinc/00/02/86/948000286.db2.gz NPWIAKPAERPKFR-LIRRHRJNSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)NC1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCOCC1)C1CC1 ZINC001573659452 948015858 /nfs/dbraw/zinc/01/58/58/948015858.db2.gz VZLZNKLKZOOVLP-CQSZACIVSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573667324 948096409 /nfs/dbraw/zinc/09/64/09/948096409.db2.gz YYPDCXAJPANEPH-GHMZBOCLSA-N 1 0 383.378 1.935 20 0 GDADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CCCO1 ZINC001573671422 948107570 /nfs/dbraw/zinc/10/75/70/948107570.db2.gz GIBVHTJNEQARDJ-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001573672738 948109610 /nfs/dbraw/zinc/10/96/10/948109610.db2.gz IUGCYKQFLNUTMQ-TZMCWYRMSA-N 1 0 383.481 1.817 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573673918 948117361 /nfs/dbraw/zinc/11/73/61/948117361.db2.gz MDMMMIXYOVXVEY-HUUCEWRRSA-N 1 0 384.488 1.221 20 0 GDADRO Cn1cc(C[NH+]2CCC(OCCCO)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360257 948117812 /nfs/dbraw/zinc/11/78/12/948117812.db2.gz CYJBJNRLHMMMRF-UHFFFAOYSA-N 1 0 397.483 1.631 20 0 GDADRO Cn1cc(C[NH+]2CCC3(CC2)OCCO3)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360418 948120628 /nfs/dbraw/zinc/12/06/28/948120628.db2.gz JPBHYZDBWHIPMY-UHFFFAOYSA-N 1 0 381.440 1.606 20 0 GDADRO C[C@@H](C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573677462 948138607 /nfs/dbraw/zinc/13/86/07/948138607.db2.gz AUXNVBXSQJWOJK-PXAZEXFGSA-N 1 0 378.440 1.189 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)N(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001573680709 948185833 /nfs/dbraw/zinc/18/58/33/948185833.db2.gz RIWAROQFXJOOIQ-HUUCEWRRSA-N 1 0 386.504 1.467 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001573680706 948186194 /nfs/dbraw/zinc/18/61/94/948186194.db2.gz RIWAROQFXJOOIQ-GJZGRUSLSA-N 1 0 386.504 1.467 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc3cc(-c4nn[nH]n4)ccc3n2)CC1 ZINC000826390151 948198195 /nfs/dbraw/zinc/19/81/95/948198195.db2.gz RCZIYBYHRJXCEM-QGZVFWFLSA-N 1 0 392.467 1.333 20 0 GDADRO C[C@@H](C(=O)NC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+]1CCCCCC1 ZINC001573681430 948203109 /nfs/dbraw/zinc/20/31/09/948203109.db2.gz WWLBWHGOWIGKHH-HNNXBMFYSA-N 1 0 383.500 1.432 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573681737 948211559 /nfs/dbraw/zinc/21/15/59/948211559.db2.gz XGPICPHOFFRLDX-XHDPSFHLSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cnn(C)c1 ZINC001573691176 948236600 /nfs/dbraw/zinc/23/66/00/948236600.db2.gz DNZCYQHIVTVEJP-ZDUSSCGKSA-N 1 0 380.456 1.142 20 0 GDADRO O=C(CC[N@@H+]1CCOCC2(CC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407414 948240083 /nfs/dbraw/zinc/24/00/83/948240083.db2.gz MKADMVQEVHTXNS-UHFFFAOYSA-N 1 0 376.848 1.961 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)C(F)(F)F ZINC001573691849 948247513 /nfs/dbraw/zinc/24/75/13/948247513.db2.gz JGEYPNIUCYOITM-SECBINFHSA-N 1 0 386.353 1.943 20 0 GDADRO C[C@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)c1cccnc1 ZINC001573693678 948284519 /nfs/dbraw/zinc/28/45/19/948284519.db2.gz XQAGORDLTJEIDJ-ZDUSSCGKSA-N 1 0 378.440 1.333 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(-c2nn[nH]n2)cs1 ZINC000826443283 948304758 /nfs/dbraw/zinc/30/47/58/948304758.db2.gz JDKZZRMZNSOBEV-MRXNPFEDSA-N 1 0 398.492 1.815 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[nH]n2)s1 ZINC000826443695 948306780 /nfs/dbraw/zinc/30/67/80/948306780.db2.gz ZKQMILLKMLTZSR-OAHLLOKOSA-N 1 0 398.492 1.815 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-c2nn[nH]n2)nc1 ZINC000826443294 948307434 /nfs/dbraw/zinc/30/74/34/948307434.db2.gz JNOIZDRPUFGQLL-KRWDZBQOSA-N 1 0 393.451 1.148 20 0 GDADRO O=C1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCN1 ZINC000826480422 948391615 /nfs/dbraw/zinc/39/16/15/948391615.db2.gz AOKRCMTVRNVTAI-UHFFFAOYSA-N 1 0 378.436 1.768 20 0 GDADRO C[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573706389 948418615 /nfs/dbraw/zinc/41/86/15/948418615.db2.gz IYBNQOVNCLHDTD-VQTKUKTRSA-N 1 0 380.456 1.166 20 0 GDADRO C[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(F)(F)F ZINC001573706436 948419403 /nfs/dbraw/zinc/41/94/03/948419403.db2.gz JHYQEQPRPHYAPQ-PBKGFPTLSA-N 1 0 386.353 1.966 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573707721 948437931 /nfs/dbraw/zinc/43/79/31/948437931.db2.gz QFTUOCKNXPFCAX-RDJZCZTQSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@@H](C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573708898 948461669 /nfs/dbraw/zinc/46/16/69/948461669.db2.gz YMYWSCXQSGROTF-CQSZACIVSA-N 1 0 377.452 1.613 20 0 GDADRO c1cncc(OCC[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826525943 948465155 /nfs/dbraw/zinc/46/51/55/948465155.db2.gz FMIAFYPDNUSTJQ-UHFFFAOYSA-N 1 0 379.468 1.895 20 0 GDADRO C[C@@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1cccnc1 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QGPFXRSNTUFGDO-HLUHBDAQSA-N 1 0 389.357 1.535 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574694134 949071201 /nfs/dbraw/zinc/07/12/01/949071201.db2.gz LWEIBGKKHYBMLN-CZUORRHYSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@@H](CN(C)C(=O)C(C)(C)c1cnc[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574694283 949073289 /nfs/dbraw/zinc/07/32/89/949073289.db2.gz MXORFTTYZJTBEK-ZDUSSCGKSA-N 1 0 382.472 1.504 20 0 GDADRO C[C@H](Oc1cccnc1)C(=O)NCCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575504705 949081875 /nfs/dbraw/zinc/08/18/75/949081875.db2.gz WNKHMHZXSNAICP-AWEZNQCLSA-N 1 0 381.440 1.325 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001574694716 949093466 /nfs/dbraw/zinc/09/34/66/949093466.db2.gz VFAWBYXFIWJAPP-BXUZGUMPSA-N 1 0 378.456 1.246 20 0 GDADRO C[C@@H](CNC(=O)COCC1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574930675 949110820 /nfs/dbraw/zinc/11/08/20/949110820.db2.gz LHKZHIPMGDWHGE-ZDUSSCGKSA-N 1 0 390.463 1.807 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574446808 949142869 /nfs/dbraw/zinc/14/28/69/949142869.db2.gz WZPUHJGWAWKXAD-AWEZNQCLSA-N 1 0 384.440 1.464 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)n1cccn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575251896 949153199 /nfs/dbraw/zinc/15/31/99/949153199.db2.gz PDAUCANWJBDJAB-KGLIPLIRSA-N 1 0 380.456 1.261 20 0 GDADRO C[C@@H](CNC(=O)COc1ccsc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574934417 949158766 /nfs/dbraw/zinc/15/87/66/949158766.db2.gz HRQLKNWFFUSUAO-ZDUSSCGKSA-N 1 0 386.481 1.944 20 0 GDADRO C[C@H](c1cnccn1)[N@H+](C)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001575514234 949164007 /nfs/dbraw/zinc/16/40/07/949164007.db2.gz BPEVCNCMDQIKNL-GFCCVEGCSA-N 1 0 381.444 1.282 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574934721 949175789 /nfs/dbraw/zinc/17/57/89/949175789.db2.gz PFLJTXZIIFJGRI-ZDUSSCGKSA-N 1 0 384.415 1.679 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCC1 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JHDCPHDUYJEBAB-APHBMKBZSA-N 1 0 380.456 1.330 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574153364 950142942 /nfs/dbraw/zinc/14/29/42/950142942.db2.gz SQMHJHDBWFKOKE-FTRWYGJKSA-N 1 0 384.484 1.524 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cncnc2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576185023 950149763 /nfs/dbraw/zinc/14/97/63/950149763.db2.gz YUBTXPNPCIJHOH-KBXCAEBGSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001574738066 950162833 /nfs/dbraw/zinc/16/28/33/950162833.db2.gz BMLJWEYNGIPISB-GFCCVEGCSA-N 1 0 385.476 1.397 20 0 GDADRO CC1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)CCOCC1 ZINC001575584357 950165254 /nfs/dbraw/zinc/16/52/54/950165254.db2.gz PQBNUIXHHDCCIL-CYBMUJFWSA-N 1 0 390.513 1.826 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cn(C)cn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899477 950170462 /nfs/dbraw/zinc/17/04/62/950170462.db2.gz WRQPLJLRLJZUMX-CZUORRHYSA-N 1 0 380.456 1.383 20 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C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)CC1(O)CCC1 ZINC001575901510 950233523 /nfs/dbraw/zinc/23/35/23/950233523.db2.gz OVCDUKBBBDTKIE-BLLLJJGKSA-N 1 0 388.447 1.390 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575588006 950245868 /nfs/dbraw/zinc/24/58/68/950245868.db2.gz PDGSTWURHZPYTK-ACJLOTCBSA-N 1 0 390.513 1.683 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnns1 ZINC001575902458 950258904 /nfs/dbraw/zinc/25/89/04/950258904.db2.gz VHDOXJHLCMGTSC-RNCFNFMXSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+][C@H]1CCc2c1cccc2F ZINC001574984436 950271793 /nfs/dbraw/zinc/27/17/93/950271793.db2.gz ZPHGPCNZINGECC-BZNIZROVSA-N 1 0 383.431 1.977 20 0 GDADRO C[C@]1(C(=O)NCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)CCCOC1 ZINC001575592084 950276808 /nfs/dbraw/zinc/27/68/08/950276808.db2.gz CFUFGJQCFSAOLL-FQEVSTJZSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1cccnc1 ZINC001575904673 950282100 /nfs/dbraw/zinc/28/21/00/950282100.db2.gz ACHBILAGEABFLO-SWLSCSKDSA-N 1 0 383.481 1.645 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1ccoc1 ZINC001575904645 950283904 /nfs/dbraw/zinc/28/39/04/950283904.db2.gz AAFITILWQGGTEE-PXAZEXFGSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576193070 950283954 /nfs/dbraw/zinc/28/39/54/950283954.db2.gz ROIHDBJXYVIKLR-SUMWQHHRSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cccnn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576193208 950285461 /nfs/dbraw/zinc/28/54/61/950285461.db2.gz SMPWJZCBSBMJHF-PBHICJAKSA-N 1 0 392.467 1.545 20 0 GDADRO CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CCCO2)CCC1 ZINC001575592450 950286587 /nfs/dbraw/zinc/28/65/87/950286587.db2.gz ASJAPDLGYDYCOT-KRWDZBQOSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccncc1 ZINC001575904807 950287399 /nfs/dbraw/zinc/28/73/99/950287399.db2.gz ATLSKZMJFFZJRF-YVEFUNNKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CC1OCCCO1 ZINC001575905365 950291648 /nfs/dbraw/zinc/29/16/48/950291648.db2.gz BZBIVGVSAZNCQL-AAEUAGOBSA-N 1 0 392.485 1.160 20 0 GDADRO C[C@@H](CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@H]1CCCO1 ZINC001574499107 950295005 /nfs/dbraw/zinc/29/50/05/950295005.db2.gz RZXYWKDMUMPDAD-WMLDXEAASA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cncnc2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576193374 950296345 /nfs/dbraw/zinc/29/63/45/950296345.db2.gz UEVAJEKWQPFJTD-RDTXWAMCSA-N 1 0 392.467 1.545 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574159321 950301612 /nfs/dbraw/zinc/30/16/12/950301612.db2.gz WILDUOZWGFBOAL-SRVKXCTJSA-N 1 0 379.415 1.528 20 0 GDADRO CC1(C(=O)NCC[NH+]2CCC(Nc3ncccc3-c3nn[nH]n3)CC2)CCC1 ZINC001575593257 950304948 /nfs/dbraw/zinc/30/49/48/950304948.db2.gz NCSXMZNLOMSKQN-UHFFFAOYSA-N 1 0 384.488 1.444 20 0 GDADRO CC(C)C[C@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574159359 950306202 /nfs/dbraw/zinc/30/62/02/950306202.db2.gz GCQYITIHPRIIHI-CZUORRHYSA-N 1 0 389.508 1.186 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)CC(C)(C)C ZINC001574499851 950308462 /nfs/dbraw/zinc/30/84/62/950308462.db2.gz XHXPHSFBDFXNNH-HOCLYGCPSA-N 1 0 388.516 1.896 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2ncccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576193969 950321106 /nfs/dbraw/zinc/32/11/06/950321106.db2.gz WWJULNBJAQCDPS-XJKSGUPXSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@H](CC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574501243 950325393 /nfs/dbraw/zinc/32/53/93/950325393.db2.gz CCQAYXGMLPOTAL-CABCVRRESA-N 1 0 392.467 1.793 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C[NH2+]Cc1cncs1 ZINC001576194047 950325845 /nfs/dbraw/zinc/32/58/45/950325845.db2.gz YARGNCIQDQQCBD-VXGBXAGGSA-N 1 0 386.485 1.539 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)CC(C)(C)O ZINC001575907550 950334989 /nfs/dbraw/zinc/33/49/89/950334989.db2.gz PABJZQRYERNQHE-NHYWBVRUSA-N 1 0 376.436 1.246 20 0 GDADRO CC(C)C[C@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574160524 950335477 /nfs/dbraw/zinc/33/54/77/950335477.db2.gz NSOZLLNYBFYBNJ-UKRRQHHQSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@H]1CCN(C(=O)c2cnco2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576194507 950346644 /nfs/dbraw/zinc/34/66/44/950346644.db2.gz ZNFWSZCMLCATHO-NWDGAFQWSA-N 1 0 387.469 1.804 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccccn1 ZINC001575907817 950347783 /nfs/dbraw/zinc/34/77/83/950347783.db2.gz RESZFQAUFBRHIR-LRDDRELGSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1CCN(C(=O)c2cnco2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576194508 950349910 /nfs/dbraw/zinc/34/99/10/950349910.db2.gz ZNFWSZCMLCATHO-RYUDHWBXSA-N 1 0 387.469 1.804 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccnn1C ZINC001575908291 950358982 /nfs/dbraw/zinc/35/89/82/950358982.db2.gz UBRBTLFECUIPHP-XHDPSFHLSA-N 1 0 384.419 1.132 20 0 GDADRO CC(C)C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CC[NH+](C)C ZINC001574161494 950361354 /nfs/dbraw/zinc/36/13/54/950361354.db2.gz VLUXRMKBIRTCSO-CYBMUJFWSA-N 1 0 378.456 1.295 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cnn(C)c1 ZINC001575908334 950365474 /nfs/dbraw/zinc/36/54/74/950365474.db2.gz USFAHFKNNJHOQN-MEDUHNTESA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cnn(C)c1 ZINC001575908335 950365869 /nfs/dbraw/zinc/36/58/69/950365869.db2.gz USFAHFKNNJHOQN-ZBEGNZNMSA-N 1 0 384.419 1.132 20 0 GDADRO 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C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001576204583 950470069 /nfs/dbraw/zinc/47/00/69/950470069.db2.gz QJHGEOFOCOCIGZ-GJZGRUSLSA-N 1 0 384.488 1.079 20 0 GDADRO CC(C)CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCC1 ZINC001574166654 950470714 /nfs/dbraw/zinc/47/07/14/950470714.db2.gz VBVLBCYFDYDARW-CYBMUJFWSA-N 1 0 392.529 1.711 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc[nH]c(=O)c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574752182 950476992 /nfs/dbraw/zinc/47/69/92/950476992.db2.gz VBWLCGHZOZAHIQ-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO CC1CC[NH+](CC(=O)NCC2(Nc3ccc(-c4nn[nH]n4)nc3)CCC2)CC1 ZINC001576204809 950480268 /nfs/dbraw/zinc/48/02/68/950480268.db2.gz CQUXBNHOELOUCM-UHFFFAOYSA-N 1 0 384.488 1.444 20 0 GDADRO C[C@H](C[C@H](C)Nc1cncc(-c2nn[nH]n2)n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205286 950507586 /nfs/dbraw/zinc/50/75/86/950507586.db2.gz WMUFLFXKKOTTIW-UONOGXRCSA-N 1 0 387.492 1.084 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573866722 950509842 /nfs/dbraw/zinc/50/98/42/950509842.db2.gz KFRQKWNFZMWRKE-AWEZNQCLSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753381 950522946 /nfs/dbraw/zinc/52/29/46/950522946.db2.gz LWLUZJMGRJRCKF-LBPRGKRZSA-N 1 0 379.424 1.191 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(Nc3cccc(F)c3-c3nn[nH]n3)CCC2)C1 ZINC001576205651 950527773 /nfs/dbraw/zinc/52/77/73/950527773.db2.gz LSVOGVWHFLBADN-CYBMUJFWSA-N 1 0 387.463 1.798 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753552 950531148 /nfs/dbraw/zinc/53/11/48/950531148.db2.gz PBILSJUZIGZSLM-ZDUSSCGKSA-N 1 0 380.456 1.322 20 0 GDADRO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001576205673 950534317 /nfs/dbraw/zinc/53/43/17/950534317.db2.gz MIQIZFIJQKLYLE-RYUDHWBXSA-N 1 0 392.895 1.564 20 0 GDADRO C[C@@H](CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)n1ccnc1 ZINC001574510018 950540844 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/nfs/dbraw/zinc/59/65/40/950596540.db2.gz HTTWKJLPPGBACC-QLFBSQMISA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)no1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575000431 950602634 /nfs/dbraw/zinc/60/26/34/950602634.db2.gz DCKRNDSJDPEYAK-QMMMGPOBSA-N 1 0 381.849 1.820 20 0 GDADRO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576208982 950623652 /nfs/dbraw/zinc/62/36/52/950623652.db2.gz XFLPYBXYOQMSMJ-NEPJUHHUSA-N 1 0 376.440 1.049 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573871730 950625126 /nfs/dbraw/zinc/62/51/26/950625126.db2.gz UVJVRZJSGWTWNJ-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1ccnc1 ZINC001574515181 950625444 /nfs/dbraw/zinc/62/54/44/950625444.db2.gz BPIHKTPALOHJLM-CKNFYHOISA-N 1 0 392.467 1.261 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCO1 ZINC001574515672 950628689 /nfs/dbraw/zinc/62/86/89/950628689.db2.gz DKCJAMQEMCHFMP-BNEJOLLZSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COc1ccccc1 ZINC001575924526 950675154 /nfs/dbraw/zinc/67/51/54/950675154.db2.gz FMLWUSBVTSWNKE-XJKSGUPXSA-N 1 0 379.424 1.164 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573878191 950701800 /nfs/dbraw/zinc/70/18/00/950701800.db2.gz KOGRBMLQTWGTEJ-RRFJBIMHSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574762185 950703562 /nfs/dbraw/zinc/70/35/62/950703562.db2.gz WVHUXBSEPRENIU-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO CC(C)n1cc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cn1 ZINC001574763531 950719985 /nfs/dbraw/zinc/71/99/85/950719985.db2.gz DHWHMQNWGRJBOQ-GFCCVEGCSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCCC2 ZINC001575927126 950736428 /nfs/dbraw/zinc/73/64/28/950736428.db2.gz NRPKOPQTFBLBOU-IUODEOHRSA-N 1 0 392.467 1.606 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574521008 950760836 /nfs/dbraw/zinc/76/08/36/950760836.db2.gz CGQVWQBXVHVDMC-DPXGPQMFSA-N 1 0 376.486 1.194 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncccc1O)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574764932 950765938 /nfs/dbraw/zinc/76/59/38/950765938.db2.gz ADZQQDIPNWRVDF-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnoc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574765017 950768622 /nfs/dbraw/zinc/76/86/22/950768622.db2.gz BUDWEBBNLTXGKQ-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574765220 950778170 /nfs/dbraw/zinc/77/81/70/950778170.db2.gz AKRVDMXQEGJVMF-LLVKDONJSA-N 1 0 384.444 1.542 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCc1ccon1 ZINC001574522150 950790738 /nfs/dbraw/zinc/79/07/38/950790738.db2.gz ITFWHGPBHPLNBB-UONOGXRCSA-N 1 0 383.456 1.860 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576218570 950796101 /nfs/dbraw/zinc/79/61/01/950796101.db2.gz MMYBBHZNAVNGAI-PWSUYJOCSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCc1cn[nH]c1 ZINC001574522823 950796341 /nfs/dbraw/zinc/79/63/41/950796341.db2.gz LDOUTFVPUVYKCO-UONOGXRCSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@H](CN(C)C(=O)c1nccs1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574765693 950797920 /nfs/dbraw/zinc/79/79/20/950797920.db2.gz JMSNNEJXXWQEFZ-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H]1CN(C(=O)C(F)F)C[C@@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)O1 ZINC001576219007 950798019 /nfs/dbraw/zinc/79/80/19/950798019.db2.gz NGFNIEVACJWVBE-SGTLLEGYSA-N 1 0 392.410 1.324 20 0 GDADRO CC1(C)CC(C[NH2+]C[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCCO2)C1 ZINC001575638417 950831736 /nfs/dbraw/zinc/83/17/36/950831736.db2.gz BWHQKNUSIYONGP-OAHLLOKOSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH]cn1 ZINC001574523901 950838175 /nfs/dbraw/zinc/83/81/75/950838175.db2.gz RXSIHOXRXJLWPG-NWDGAFQWSA-N 1 0 386.435 1.345 20 0 GDADRO CC(C)OCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574524124 950845308 /nfs/dbraw/zinc/84/53/08/950845308.db2.gz UAHCHYFTQISCFV-CHWSQXEVSA-N 1 0 378.452 1.804 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576222079 950863236 /nfs/dbraw/zinc/86/32/36/950863236.db2.gz XGJIFZDORRARPS-CXAGYDPISA-N 1 0 392.467 1.315 20 0 GDADRO CC(C)C(=O)N1C[C@@H](C)OC2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576222217 950867725 /nfs/dbraw/zinc/86/77/25/950867725.db2.gz XZKYMAGIXTZHJG-CQSZACIVSA-N 1 0 385.472 1.504 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CC1(O)CCC1 ZINC001574524872 950875257 /nfs/dbraw/zinc/87/52/57/950875257.db2.gz ZWGJQOICFLUQMB-CHWSQXEVSA-N 1 0 390.463 1.684 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1csc(=O)[nH]1 ZINC001574527694 950899623 /nfs/dbraw/zinc/89/96/23/950899623.db2.gz FZLXLRIZRAMAMA-QWRGUYRKSA-N 1 0 387.469 1.716 20 0 GDADRO CC(C)CCCC(=O)NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574189892 950904691 /nfs/dbraw/zinc/90/46/91/950904691.db2.gz SPSACUGRSVQOAH-UHFFFAOYSA-N 1 0 387.488 1.536 20 0 GDADRO C[C@@H]1[C@@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575936596 950916277 /nfs/dbraw/zinc/91/62/77/950916277.db2.gz GNZNKUYPWXVOGF-HIFRSBDPSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccnnc1 ZINC001574527955 950919786 /nfs/dbraw/zinc/91/97/86/950919786.db2.gz IWGYDERKHVVFEV-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001574771618 950933392 /nfs/dbraw/zinc/93/33/92/950933392.db2.gz HPLGKDNUWSGTIN-GUYCJALGSA-N 1 0 391.495 1.529 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574528955 950942812 /nfs/dbraw/zinc/94/28/12/950942812.db2.gz OTEQUVCIMUKXLG-NEPJUHHUSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574772031 950951095 /nfs/dbraw/zinc/95/10/95/950951095.db2.gz OSCORBPXMYMLRD-ORAYPTAESA-N 1 0 390.463 1.759 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575642873 950951645 /nfs/dbraw/zinc/95/16/45/950951645.db2.gz JABALINESBATAP-OXQOHEQNSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574772128 950958464 /nfs/dbraw/zinc/95/84/64/950958464.db2.gz PSMHHEJQSAZCNZ-GUYCJALGSA-N 1 0 389.479 1.427 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccncn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574529977 950964909 /nfs/dbraw/zinc/96/49/09/950964909.db2.gz RYZCFFLOIBKBBY-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnns1 ZINC001574529970 950965145 /nfs/dbraw/zinc/96/51/45/950965145.db2.gz RXWOBQUKSQTPNJ-UWVGGRQHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cccnn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574530541 950987686 /nfs/dbraw/zinc/98/76/86/950987686.db2.gz VNDUFRPHJATZEE-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575644740 950994940 /nfs/dbraw/zinc/99/49/40/950994940.db2.gz WQBIMWWXRQFYOR-OCCSQVGLSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCOC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575024645 951109498 /nfs/dbraw/zinc/10/94/98/951109498.db2.gz JXHOHIYIGLUTQN-AWEZNQCLSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@@H](CNC(=O)c1ccnn1CC(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575034941 951259527 /nfs/dbraw/zinc/25/95/27/951259527.db2.gz QVZOFDYRZTYRJE-NSHDSACASA-N 1 0 390.398 1.236 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575035320 951273280 /nfs/dbraw/zinc/27/32/80/951273280.db2.gz WKLDNHHJQLWVFB-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCC2)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575042788 951373828 /nfs/dbraw/zinc/37/38/28/951373828.db2.gz BVAZIVSPYAIOQF-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)o1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575043984 951408282 /nfs/dbraw/zinc/40/82/82/951408282.db2.gz NLBPMJHAEKEPSM-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575044557 951416475 /nfs/dbraw/zinc/41/64/75/951416475.db2.gz SIRHUUHGAMKSKO-ZDUSSCGKSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044785 951418843 /nfs/dbraw/zinc/41/88/43/951418843.db2.gz VAJSIAQYLXLNMP-LLVKDONJSA-N 1 0 379.428 1.184 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575053687 951480824 /nfs/dbraw/zinc/48/08/24/951480824.db2.gz UKHWDMUZJMVLIB-LBPRGKRZSA-N 1 0 383.460 1.113 20 0 GDADRO C[C@H](CNC(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575055832 951515120 /nfs/dbraw/zinc/51/51/20/951515120.db2.gz AMZABSBSBWXZSL-MRVPVSSYSA-N 1 0 377.405 1.076 20 0 GDADRO C[C@H](CNC(=O)c1csnn1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575060844 951549643 /nfs/dbraw/zinc/54/96/43/951549643.db2.gz IAXCCUAHBLVDTB-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](CNC(=O)c1csc(Cl)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575060852 951549914 /nfs/dbraw/zinc/54/99/14/951549914.db2.gz IFZKWWMNTBLVJQ-SECBINFHSA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1nc(Cl)cs1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575061665 951561870 /nfs/dbraw/zinc/56/18/70/951561870.db2.gz PLYVRLLOWMUWGZ-VIFPVBQESA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1ncoc1C1CC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575065814 951590415 /nfs/dbraw/zinc/59/04/15/951590415.db2.gz ISVMSHFBCAHTPU-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1CC(F)(F)C1 ZINC001575077447 951669089 /nfs/dbraw/zinc/66/90/89/951669089.db2.gz DEJYBNABDKXENZ-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccc(=O)[nH]c1 ZINC001575077499 951669900 /nfs/dbraw/zinc/66/99/00/951669900.db2.gz FQEAVGMIHNDKII-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CNC(=O)c1cscn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078481 951681399 /nfs/dbraw/zinc/68/13/99/951681399.db2.gz MBMJZXWVKGMTOT-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](C[NH2+]CCOCc1ccccc1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575081385 951721616 /nfs/dbraw/zinc/72/16/16/951721616.db2.gz UGBGHAMWSWQEIK-CQSZACIVSA-N 1 0 383.456 1.462 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)n1cccc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081626 951725354 /nfs/dbraw/zinc/72/53/54/951725354.db2.gz RBHCNPURBZKUQF-KGLIPLIRSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1cc(O)ccc1Cl ZINC001575081687 951725541 /nfs/dbraw/zinc/72/55/41/951725541.db2.gz RKGCQEMQCMYEQI-JTQLQIEISA-N 1 0 389.847 1.710 20 0 GDADRO C[C@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082697 951736031 /nfs/dbraw/zinc/73/60/31/951736031.db2.gz YBSYDIFERPWCQZ-HXPMCKFVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1ccsn1 ZINC001575082886 951738216 /nfs/dbraw/zinc/73/82/16/951738216.db2.gz YYYQHNVDHPCWCB-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)COCC(F)F ZINC001575088602 951741265 /nfs/dbraw/zinc/74/12/65/951741265.db2.gz BTZFQIZGLQZZIG-SNVBAGLBSA-N 1 0 386.378 1.224 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575089669 951750898 /nfs/dbraw/zinc/75/08/98/951750898.db2.gz HDMKACXOXMNFMX-UKRRQHHQSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCOC1 ZINC001575089591 951751329 /nfs/dbraw/zinc/75/13/29/951751329.db2.gz GVXHKAVJPGWHIX-DOMZBBRYSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089858 951754703 /nfs/dbraw/zinc/75/47/03/951754703.db2.gz HYNQFOXXHQZDES-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cscn1 ZINC001575089883 951755000 /nfs/dbraw/zinc/75/50/00/951755000.db2.gz IFKOHVBWQOMBCO-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCC1(F)F ZINC001575090092 951757325 /nfs/dbraw/zinc/75/73/25/951757325.db2.gz JIXQKHNFRKKBDN-GXFFZTMASA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CCc1c[nH]cn1 ZINC001575090293 951760743 /nfs/dbraw/zinc/76/07/43/951760743.db2.gz KHGDZDHSSIGUSO-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575090682 951763684 /nfs/dbraw/zinc/76/36/84/951763684.db2.gz LCPQTHWMYJILNT-OCCSQVGLSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)CC1CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091743 951782739 /nfs/dbraw/zinc/78/27/39/951782739.db2.gz XHMZOFMTJBEXED-CYBMUJFWSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)c1cnco1)C1CC1 ZINC001575091891 951785343 /nfs/dbraw/zinc/78/53/43/951785343.db2.gz YHUNPFGYWVNQEC-GOSISDBHSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cccc(=O)[nH]1 ZINC001575091935 951787792 /nfs/dbraw/zinc/78/77/92/951787792.db2.gz ZGPVAFBJSNVXJM-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnn2c1CCC2 ZINC001575092919 951795168 /nfs/dbraw/zinc/79/51/68/951795168.db2.gz FWWGWZCOAILNNU-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CNC(=O)c1c(Cl)cnn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094779 951806065 /nfs/dbraw/zinc/80/60/65/951806065.db2.gz PJBONHXTVFTVKF-NSHDSACASA-N 1 0 388.863 1.409 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc(C2CC2)no1 ZINC001575094849 951807463 /nfs/dbraw/zinc/80/74/63/951807463.db2.gz QEUSUNYQMFSJST-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1coc(C2CC2)n1 ZINC001575095806 951815396 /nfs/dbraw/zinc/81/53/96/951815396.db2.gz WZEYPUKCBDXLBS-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1ncccn1 ZINC001575099355 951832934 /nfs/dbraw/zinc/83/29/34/951832934.db2.gz KNJLYPXBOVOOKG-LBPRGKRZSA-N 1 0 386.485 1.288 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001575101040 951851911 /nfs/dbraw/zinc/85/19/11/951851911.db2.gz XZMFSRWQODHRHS-NSHDSACASA-N 1 0 388.501 1.566 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575102689 951870303 /nfs/dbraw/zinc/87/03/03/951870303.db2.gz OLPRCKNLDMCUOK-LLVKDONJSA-N 1 0 385.497 1.995 20 0 GDADRO C[C@H](CNC(=O)c1cccc(=O)[nH]1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103409 951876407 /nfs/dbraw/zinc/87/64/07/951876407.db2.gz TYVSXAXCRSVGRA-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1cnccn1)C1CC1 ZINC001575107003 951911144 /nfs/dbraw/zinc/91/11/44/951911144.db2.gz XHOQAIYSGDUQBD-IBGZPJMESA-N 1 0 378.440 1.345 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001575107091 951913278 /nfs/dbraw/zinc/91/32/78/951913278.db2.gz YPIJJLUZUZJEEM-PBHICJAKSA-N 1 0 376.411 1.896 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575107204 951915310 /nfs/dbraw/zinc/91/53/10/951915310.db2.gz BCBDKPBHPNOIKB-XFKAJCMBSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109784 951933460 /nfs/dbraw/zinc/93/34/60/951933460.db2.gz VJMCDQPJMFHMKU-XWIAVFTESA-N 1 0 384.484 1.524 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c[nH]ccc-2n1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115566 951966505 /nfs/dbraw/zinc/96/65/05/951966505.db2.gz YHHVHLLBHAKEIK-CYBMUJFWSA-N 1 0 390.451 1.899 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1nc2c(o1)CCCC2 ZINC001575118237 951983765 /nfs/dbraw/zinc/98/37/65/951983765.db2.gz RIEWTPDCWXIJMC-NSHDSACASA-N 1 0 384.444 1.217 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)C[NH+]1CCCCC1 ZINC001575118888 951987060 /nfs/dbraw/zinc/98/70/60/951987060.db2.gz VFKBVLSCXTWFON-LBPRGKRZSA-N 1 0 382.465 1.406 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575143540 952154831 /nfs/dbraw/zinc/15/48/31/952154831.db2.gz BCQVEXPZHDPXIJ-MRXNPFEDSA-N 1 0 377.399 1.426 20 0 GDADRO CC[C@H](F)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001571117649 952483341 /nfs/dbraw/zinc/48/33/41/952483341.db2.gz OEJUBVIKFDUQGK-SCLBCKFNSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1nccs1 ZINC001571118096 952486709 /nfs/dbraw/zinc/48/67/09/952486709.db2.gz USJCAQNCGRUFGN-KOLCDFICSA-N 1 0 375.483 1.778 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001575199178 952486918 /nfs/dbraw/zinc/48/69/18/952486918.db2.gz AHCSAJCBWISHJR-RYUDHWBXSA-N 1 0 386.435 1.202 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001575201811 952507617 /nfs/dbraw/zinc/50/76/17/952507617.db2.gz QSLZACGWUXLGFX-ZDUSSCGKSA-N 1 0 380.456 1.207 20 0 GDADRO C[NH+]1CCC2(CCN(C(=O)NCc3ccc(-c4nn[nH]n4)s3)CC2)CC1 ZINC001571120973 952513646 /nfs/dbraw/zinc/51/36/46/952513646.db2.gz SQMLCJQFFGUNLK-UHFFFAOYSA-N 1 0 375.502 1.946 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575202591 952514611 /nfs/dbraw/zinc/51/46/11/952514611.db2.gz WEIXIVWGFWYEHO-AEGPPILISA-N 1 0 380.456 1.205 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001571122265 952523202 /nfs/dbraw/zinc/52/32/02/952523202.db2.gz IDAMBBQHUDTKRL-CABCVRRESA-N 1 0 376.486 1.326 20 0 GDADRO CO[C@H](C)C(=O)N1CCC(C)([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571122261 952523298 /nfs/dbraw/zinc/52/32/98/952523298.db2.gz HZVUFLMYEYFUIR-GFCCVEGCSA-N 1 0 376.436 1.511 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(-c2nn[nH]n2)c1Br ZINC001571122283 952524890 /nfs/dbraw/zinc/52/48/90/952524890.db2.gz IEXLXJADBWNVPV-VIFPVBQESA-N 1 0 377.246 1.596 20 0 GDADRO CC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2 ZINC001571123419 952530825 /nfs/dbraw/zinc/53/08/25/952530825.db2.gz RSGXPSLXVFTWGF-ZDUSSCGKSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)CC1(O)CCC1 ZINC001571123743 952532354 /nfs/dbraw/zinc/53/23/54/952532354.db2.gz VSANNKJNAXRDCI-RYUDHWBXSA-N 1 0 376.486 1.312 20 0 GDADRO CC(F)(F)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C(C)(C)C1 ZINC001575208012 952537986 /nfs/dbraw/zinc/53/79/86/952537986.db2.gz YVTYEADPZIWRLX-ZDUSSCGKSA-N 1 0 382.390 1.988 20 0 GDADRO CC(F)(F)C(=O)NCC[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575210742 952541233 /nfs/dbraw/zinc/54/12/33/952541233.db2.gz IHCABPBPZRJEQH-NSHDSACASA-N 1 0 382.390 1.989 20 0 GDADRO O=C([C@@H]1CCCCC1(F)F)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571124707 952542870 /nfs/dbraw/zinc/54/28/70/952542870.db2.gz RQWCBXCDIMAKFW-AAEUAGOBSA-N 1 0 377.399 1.522 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571127222 952551279 /nfs/dbraw/zinc/55/12/79/952551279.db2.gz BSCQJDLDHGBXEA-GOSISDBHSA-N 1 0 377.452 1.965 20 0 GDADRO CC(F)(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@@H]2C1 ZINC001575212191 952552112 /nfs/dbraw/zinc/55/21/12/952552112.db2.gz FHTQLIRFWZUWBG-BETUJISGSA-N 1 0 380.374 1.551 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575214077 952560926 /nfs/dbraw/zinc/56/09/26/952560926.db2.gz GQCWBRJJWXRYEA-LBPRGKRZSA-N 1 0 382.415 1.115 20 0 GDADRO CC(F)(F)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575214328 952562585 /nfs/dbraw/zinc/56/25/85/952562585.db2.gz WUIXRSRJMNOASF-GFCCVEGCSA-N 1 0 382.390 1.989 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571128653 952570198 /nfs/dbraw/zinc/57/01/98/952570198.db2.gz WFJIGEVHDWFCBC-INIZCTEOSA-N 1 0 377.452 1.638 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571129025 952572789 /nfs/dbraw/zinc/57/27/89/952572789.db2.gz ZKQUXTRANZMIBK-RDTXWAMCSA-N 1 0 377.452 1.760 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC3(F)F)C2)cc1-c1nn[nH]n1 ZINC001571130717 952581646 /nfs/dbraw/zinc/58/16/46/952581646.db2.gz VHGAKXQNLIENFQ-DGCLKSJQSA-N 1 0 378.383 1.221 20 0 GDADRO C[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571134169 952585812 /nfs/dbraw/zinc/58/58/12/952585812.db2.gz BJDLDJHQWLVQHX-ZFWWWQNUSA-N 1 0 378.440 1.155 20 0 GDADRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(-c4nn[nH]n4)ccn3)C2)n1 ZINC001571134397 952589692 /nfs/dbraw/zinc/58/96/92/952589692.db2.gz HZKPBSGVIJMVQR-HNNXBMFYSA-N 1 0 378.440 1.816 20 0 GDADRO Cc1n[nH]cc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571134672 952593674 /nfs/dbraw/zinc/59/36/74/952593674.db2.gz JQJXKRZCXSBFHK-OSYLJGHBSA-N 1 0 378.440 1.006 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccn1 ZINC001571135102 952599106 /nfs/dbraw/zinc/59/91/06/952599106.db2.gz PEYAASXIZODQMV-CZUORRHYSA-N 1 0 378.440 1.440 20 0 GDADRO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)c[nH]1 ZINC001571135116 952599940 /nfs/dbraw/zinc/59/99/40/952599940.db2.gz RUOXCUGXYIRSKJ-NVXWUHKLSA-N 1 0 378.440 1.245 20 0 GDADRO CCc1[nH]ccc1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571135247 952601417 /nfs/dbraw/zinc/60/14/17/952601417.db2.gz RSXJUZRTNLALSN-HALDLXJZSA-N 1 0 378.440 1.325 20 0 GDADRO O=C(N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccc(C[NH+]2CCCC2)o1 ZINC001571136628 952615359 /nfs/dbraw/zinc/61/53/59/952615359.db2.gz TVSYJWRNHYVHNB-INIZCTEOSA-N 1 0 378.436 1.953 20 0 GDADRO COc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC001571136648 952616382 /nfs/dbraw/zinc/61/63/82/952616382.db2.gz UGAGXWJESIBVMA-MRXNPFEDSA-N 1 0 378.436 1.880 20 0 GDADRO CS[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571141634 952634606 /nfs/dbraw/zinc/63/46/06/952634606.db2.gz JGRAZXAAZQSGRY-DGCLKSJQSA-N 1 0 378.477 1.838 20 0 GDADRO O=C(c1cnccn1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571141980 952638356 /nfs/dbraw/zinc/63/83/56/952638356.db2.gz MHLCUAYLBRXZMN-HNNXBMFYSA-N 1 0 378.440 1.441 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001571142694 952644913 /nfs/dbraw/zinc/64/49/13/952644913.db2.gz VQQSQRQXPXXOJI-LBPRGKRZSA-N 1 0 378.502 1.512 20 0 GDADRO CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H](OCC)C1 ZINC001571142754 952645975 /nfs/dbraw/zinc/64/59/75/952645975.db2.gz XPEAGALIPMXFEF-TZMCWYRMSA-N 1 0 378.502 1.681 20 0 GDADRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1C ZINC001571150484 952668360 /nfs/dbraw/zinc/66/83/60/952668360.db2.gz BSCLGAMXFLYLKP-QGZVFWFLSA-N 1 0 379.468 1.860 20 0 GDADRO Cc1c(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)ccn1C ZINC001571151035 952671231 /nfs/dbraw/zinc/67/12/31/952671231.db2.gz JKPJABNFANTPSX-ZDUSSCGKSA-N 1 0 379.468 1.764 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CC1(F)F)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571152184 952681388 /nfs/dbraw/zinc/68/13/88/952681388.db2.gz CXNBKEYGMPUQAY-RNCFNFMXSA-N 1 0 380.374 1.598 20 0 GDADRO Cc1cc(N2C[C@H](NC(=O)c3cnccn3)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571156581 952702193 /nfs/dbraw/zinc/70/21/93/952702193.db2.gz DLTRFMVEHNBCNF-QWHCGFSZSA-N 1 0 379.428 1.147 20 0 GDADRO O=C(c1cc(C2CC2)no1)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571160512 952726633 /nfs/dbraw/zinc/72/66/33/952726633.db2.gz IOOITXRECMMQEK-LBPRGKRZSA-N 1 0 380.412 1.266 20 0 GDADRO C[C@H]1CN(C(=O)Cc2ccco2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571166244 952759527 /nfs/dbraw/zinc/75/95/27/952759527.db2.gz KLTGYCDPSOASRQ-GOEBONIOSA-N 1 0 380.452 1.887 20 0 GDADRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC001571166396 952760517 /nfs/dbraw/zinc/76/05/17/952760517.db2.gz MCDAJVBKTVQBDJ-LRDDRELGSA-N 1 0 380.456 1.414 20 0 GDADRO CCc1nc[nH]c1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC001571166534 952763194 /nfs/dbraw/zinc/76/31/94/952763194.db2.gz MRWMGMYWFQSLMW-LRDDRELGSA-N 1 0 380.456 1.403 20 0 GDADRO Cc1cc(NC2CCC(NC(=O)Cc3ccc[nH]3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169519 952775208 /nfs/dbraw/zinc/77/52/08/952775208.db2.gz FMGGBWRPXPXHTN-UHFFFAOYSA-N 1 0 380.456 1.402 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC001571169565 952775711 /nfs/dbraw/zinc/77/57/11/952775711.db2.gz GVBROOMNMGQXAV-OAHLLOKOSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)c3cccn3C)CC2(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169662 952776866 /nfs/dbraw/zinc/77/68/66/952776866.db2.gz JVQVOPYANDYJGB-MRXNPFEDSA-N 1 0 380.456 1.293 20 0 GDADRO Cc1cnn(C)c1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169810 952779875 /nfs/dbraw/zinc/77/98/75/952779875.db2.gz OBHBOQDCNAHLFL-FZNQNYSPSA-N 1 0 380.456 1.207 20 0 GDADRO Cc1ncccc1C[NH2+]C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571171733 952797011 /nfs/dbraw/zinc/79/70/11/952797011.db2.gz FKMJLMDXVNWLRH-AWEZNQCLSA-N 1 0 380.456 1.540 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(c2cc(Br)ccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571172093 952800989 /nfs/dbraw/zinc/80/09/89/952800989.db2.gz MBCDLORWTFXFQK-QWRGUYRKSA-N 1 0 381.278 1.521 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(c2cc(Br)ccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571172092 952801529 /nfs/dbraw/zinc/80/15/29/952801529.db2.gz MBCDLORWTFXFQK-MNOVXSKESA-N 1 0 381.278 1.521 20 0 GDADRO Cn1cnc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571172868 952810258 /nfs/dbraw/zinc/81/02/58/952810258.db2.gz ZVIIMFIGEFSNIL-MRXNPFEDSA-N 1 0 380.456 1.385 20 0 GDADRO CC(C)n1cc(C(=O)N(C)C2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001571180256 952859536 /nfs/dbraw/zinc/85/95/36/952859536.db2.gz NWFSLBXYBOFXEM-UHFFFAOYSA-N 1 0 381.444 1.176 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc[nH]c3)C2)cc1-c1nn[nH]n1 ZINC001571182680 952867607 /nfs/dbraw/zinc/86/76/07/952867607.db2.gz BLCGBWKQJREJGA-AWEZNQCLSA-N 1 0 381.440 1.455 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)CCc2ccoc2)CC1 ZINC001571182707 952867620 /nfs/dbraw/zinc/86/76/20/952867620.db2.gz CFTVCXRHWNMRRC-UHFFFAOYSA-N 1 0 381.440 1.702 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001571182698 952867635 /nfs/dbraw/zinc/86/76/35/952867635.db2.gz BYZXMYREVCUUTN-DZGCQCFKSA-N 1 0 381.415 1.826 20 0 GDADRO CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC001571182848 952869758 /nfs/dbraw/zinc/86/97/58/952869758.db2.gz HUCCWQSYXMDSRQ-UHFFFAOYSA-N 1 0 381.440 1.080 20 0 GDADRO O=C(c1ccccn1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571182887 952870667 /nfs/dbraw/zinc/87/06/67/952870667.db2.gz IRSHHOZSEBHPAD-OAHLLOKOSA-N 1 0 381.415 1.795 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cocn2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571182931 952871038 /nfs/dbraw/zinc/87/10/38/952871038.db2.gz JYOXYUMTSYYVKE-ZBFHGGJFSA-N 1 0 381.440 1.885 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001571183096 952873172 /nfs/dbraw/zinc/87/31/72/952873172.db2.gz OGLMOGPNLJFTSM-BLLLJJGKSA-N 1 0 381.415 1.826 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001571184337 952891968 /nfs/dbraw/zinc/89/19/68/952891968.db2.gz WUVFWTJHWJSGIW-CYBMUJFWSA-N 1 0 381.444 1.295 20 0 GDADRO C[C@H](c1cnccn1)[N@H+]1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](C)C1 ZINC001571184451 952894404 /nfs/dbraw/zinc/89/44/04/952894404.db2.gz ZOEVMWBUHXKPNL-YRGRVCCFSA-N 1 0 381.444 1.044 20 0 GDADRO Cc1cnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cn1 ZINC001571188865 952920705 /nfs/dbraw/zinc/92/07/05/952920705.db2.gz OLGDZBJCYSFWJK-HUUCEWRRSA-N 1 0 381.444 1.124 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)(F)F ZINC001571194251 952960084 /nfs/dbraw/zinc/96/00/84/952960084.db2.gz KMDGAZYCMPMLKT-GXFFZTMASA-N 1 0 382.390 1.988 20 0 GDADRO CCc1cc(C(=O)N2C[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)no1 ZINC001571199703 953004294 /nfs/dbraw/zinc/00/42/94/953004294.db2.gz ZRSVZFKKBQZBKD-VXGBXAGGSA-N 1 0 382.428 1.054 20 0 GDADRO CCCc1nc(C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)co1 ZINC001571199786 953005673 /nfs/dbraw/zinc/00/56/73/953005673.db2.gz BWXCFXFBTFPPEO-LBPRGKRZSA-N 1 0 382.428 1.198 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@]2(C)CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571200493 953010097 /nfs/dbraw/zinc/01/00/97/953010097.db2.gz CPZVPAPNNKMOAM-GOSISDBHSA-N 1 0 382.428 1.574 20 0 GDADRO Cc1nc(C(=O)N[C@H]2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571202300 953024518 /nfs/dbraw/zinc/02/45/18/953024518.db2.gz SVOXNLYGXSUUJO-STQMWFEESA-N 1 0 382.428 1.442 20 0 GDADRO Cc1cc(CC(=O)N(C)C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)no1 ZINC001571202394 953024704 /nfs/dbraw/zinc/02/47/04/953024704.db2.gz UHTPYMQCKFYHHI-UHFFFAOYSA-N 1 0 382.428 1.228 20 0 GDADRO O=C([C@H]1CCOC1)N1CC[C@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571209890 953068571 /nfs/dbraw/zinc/06/85/71/953068571.db2.gz HVFARUKSPCMYGE-PXNSSMCTSA-N 1 0 382.468 1.328 20 0 GDADRO O=C(NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571210597 953072659 /nfs/dbraw/zinc/07/26/59/953072659.db2.gz UAIBRZLIHGQAPP-XLIONFOSSA-N 1 0 382.468 1.374 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)C1(C2CC2)CC1 ZINC001571210572 953073146 /nfs/dbraw/zinc/07/31/46/953073146.db2.gz SQFLNKTWEZFXSW-FVQHAEBGSA-N 1 0 382.443 1.742 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCC2(C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001571210714 953073858 /nfs/dbraw/zinc/07/38/58/953073858.db2.gz VVAKNPBXFJBKIE-KRWDZBQOSA-N 1 0 382.468 1.470 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC001571219195 953123612 /nfs/dbraw/zinc/12/36/12/953123612.db2.gz LTULSNZHUNJMII-AWEZNQCLSA-N 1 0 383.412 1.176 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001571219923 953127686 /nfs/dbraw/zinc/12/76/86/953127686.db2.gz TUPHWRGMTUVHRA-CQSZACIVSA-N 1 0 383.412 1.210 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccon3)C2)cc1-c1nn[nH]n1 ZINC001571219932 953127892 /nfs/dbraw/zinc/12/78/92/953127892.db2.gz UDMOANIGANHDFG-AAEUAGOBSA-N 1 0 383.412 1.256 20 0 GDADRO Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)[nH]1 ZINC001571229717 953171260 /nfs/dbraw/zinc/17/12/60/953171260.db2.gz KVDCDFSNTZQDNO-HNNXBMFYSA-N 1 0 383.431 1.955 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cc[nH]c1 ZINC001571229838 953172837 /nfs/dbraw/zinc/17/28/37/953172837.db2.gz OYWWGGJETVVUMO-CYBMUJFWSA-N 1 0 383.431 1.976 20 0 GDADRO Cc1ccc(F)c(C[NH2+][C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)c1 ZINC001571230052 953173959 /nfs/dbraw/zinc/17/39/59/953173959.db2.gz RNIXORYYAHTMRQ-PXAZEXFGSA-N 1 0 383.431 1.893 20 0 GDADRO Cc1cc(N2C[C@@H]3CN(C(=O)C[C@H]4CCCO4)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233091 953190817 /nfs/dbraw/zinc/19/08/17/953190817.db2.gz ODOFSZMEEWZRPY-QLFBSQMISA-N 1 0 383.456 1.034 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001571233900 953196977 /nfs/dbraw/zinc/19/69/77/953196977.db2.gz HKHLHSOTFMZLGM-MRVWCRGKSA-N 1 0 383.481 1.864 20 0 GDADRO Cc1ncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)s1 ZINC001571234058 953198330 /nfs/dbraw/zinc/19/83/30/953198330.db2.gz MCQVFMJUXAAOQQ-HNNXBMFYSA-N 1 0 383.481 1.978 20 0 GDADRO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c(C)s1 ZINC001571234348 953201226 /nfs/dbraw/zinc/20/12/26/953201226.db2.gz UTKMXPMUKYVYMH-FOLVSLTJSA-N 1 0 383.481 1.733 20 0 GDADRO Cc1c[nH]nc1C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571238874 953234296 /nfs/dbraw/zinc/23/42/96/953234296.db2.gz BOPRXGRXZXJLLB-UHFFFAOYSA-N 1 0 384.419 1.336 20 0 GDADRO Cc1c[nH]c(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)n1 ZINC001571239202 953237067 /nfs/dbraw/zinc/23/70/67/953237067.db2.gz HQPSZBVSSZNNQE-BMIGLBTASA-N 1 0 384.419 1.288 20 0 GDADRO Cc1c[nH]c(C(=O)N2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)[C@@H](C)C2)n1 ZINC001571239203 953237270 /nfs/dbraw/zinc/23/72/70/953237270.db2.gz HQPSZBVSSZNNQE-BONVTDFDSA-N 1 0 384.419 1.288 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)n(C)n1 ZINC001571239257 953237528 /nfs/dbraw/zinc/23/75/28/953237528.db2.gz IOZCEXYGLZYUKC-ZDUSSCGKSA-N 1 0 384.419 1.052 20 0 GDADRO C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571239427 953239027 /nfs/dbraw/zinc/23/90/27/953239027.db2.gz LJNGWZVZNDMDBW-SMDDNHRTSA-N 1 0 384.419 1.227 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2ccoc2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571239629 953241353 /nfs/dbraw/zinc/24/13/53/953241353.db2.gz OLMMGBXMYGXTSZ-PXAZEXFGSA-N 1 0 384.415 1.921 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239613 953241387 /nfs/dbraw/zinc/24/13/87/953241387.db2.gz NXOKQLPEJAOXTP-ZDUSSCGKSA-N 1 0 384.419 1.289 20 0 GDADRO Cc1c[nH]nc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571239931 953244806 /nfs/dbraw/zinc/24/48/06/953244806.db2.gz VBNLPFNWDVNHMU-ABAIWWIYSA-N 1 0 384.419 1.288 20 0 GDADRO O=C(c1ncc[nH]1)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571241570 953247430 /nfs/dbraw/zinc/24/74/30/953247430.db2.gz DQNHSSVRVYOGFU-CYBMUJFWSA-N 1 0 384.419 1.513 20 0 GDADRO COC(=O)[C@]12C[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]1CCCC2 ZINC001571241792 953249428 /nfs/dbraw/zinc/24/94/28/953249428.db2.gz LWDUTHNSIUYLAU-SPYBWZPUSA-N 1 0 384.440 1.058 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)C1=COCCO1 ZINC001571241808 953249838 /nfs/dbraw/zinc/24/98/38/953249838.db2.gz MEFMFZNQJJYSGR-CZUORRHYSA-N 1 0 384.440 1.224 20 0 GDADRO CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001571242608 953257711 /nfs/dbraw/zinc/25/77/11/953257711.db2.gz KCMVBXTUGRRWOF-MEBBXXQBSA-N 1 0 384.444 1.304 20 0 GDADRO CCc1nocc1C[NH+]1CCC(C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571243177 953263962 /nfs/dbraw/zinc/26/39/62/953263962.db2.gz YBTZUFQQEPCIFU-UHFFFAOYSA-N 1 0 384.444 1.530 20 0 GDADRO C[N@H+](Cc1ccccc1-c1nn[nH]n1)C1CCN(C(=O)c2cnns2)CC1 ZINC001571244566 953265001 /nfs/dbraw/zinc/26/50/01/953265001.db2.gz BAKJEMLDSDUODK-UHFFFAOYSA-N 1 0 384.469 1.455 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnsn2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571244761 953266514 /nfs/dbraw/zinc/26/65/14/953266514.db2.gz HOVMFVLLFVTOMM-RISCZKNCSA-N 1 0 384.469 1.359 20 0 GDADRO Cc1ncsc1C(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571245321 953272059 /nfs/dbraw/zinc/27/20/59/953272059.db2.gz RQRQDDPAVXWZFY-GFCCVEGCSA-N 1 0 384.469 1.474 20 0 GDADRO O=C(c1cnsn1)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571247564 953283374 /nfs/dbraw/zinc/28/33/74/953283374.db2.gz AGJFRYZBIOILJE-GFCCVEGCSA-N 1 0 384.469 1.360 20 0 GDADRO Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)o1 ZINC001571247531 953283672 /nfs/dbraw/zinc/28/36/72/953283672.db2.gz AIFYYARUZUIDRR-DGCLKSJQSA-N 1 0 384.444 1.522 20 0 GDADRO CCO[C@H]1C[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571247767 953286667 /nfs/dbraw/zinc/28/66/67/953286667.db2.gz DMMRSQCSQDTOHG-SJORKVTESA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H]1C[C@H](C(=O)NCC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CO1 ZINC001571247906 953287006 /nfs/dbraw/zinc/28/70/06/953287006.db2.gz IBZQDLKLQXTHCB-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCOC1 ZINC001571247948 953287799 /nfs/dbraw/zinc/28/77/99/953287799.db2.gz JDPHTRWCXWXIFE-MGPUTAFESA-N 1 0 384.484 1.622 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571248342 953292505 /nfs/dbraw/zinc/29/25/05/953292505.db2.gz QYOXXGDOQDJCDZ-SYNTWQANSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)CC1CCOCC1 ZINC001571248987 953299874 /nfs/dbraw/zinc/29/98/74/953299874.db2.gz AEIBNNHMGLLDPD-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)oc1C ZINC001571249355 953303921 /nfs/dbraw/zinc/30/39/21/953303921.db2.gz OVPKTAIBLMLVQV-GXTWGEPZSA-N 1 0 384.444 1.488 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c(C)o1 ZINC001571249428 953304643 /nfs/dbraw/zinc/30/46/43/953304643.db2.gz POWBGLKEPNAXLF-KGLIPLIRSA-N 1 0 384.444 1.630 20 0 GDADRO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001571249441 953305783 /nfs/dbraw/zinc/30/57/83/953305783.db2.gz JCCLXDWNNJEYAV-OAHLLOKOSA-N 1 0 384.488 1.032 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CN1c1ccc(-c2nn[nH]n2)nc1 ZINC001571249889 953306605 /nfs/dbraw/zinc/30/66/05/953306605.db2.gz MBWCXLGCGNCWGG-DZGCQCFKSA-N 1 0 384.488 1.077 20 0 GDADRO O=C(C[C@H]1CCCO1)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571250673 953312147 /nfs/dbraw/zinc/31/21/47/953312147.db2.gz SCQSHJFSGWWQQI-SJLPKXTDSA-N 1 0 384.484 1.764 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)C2CC2)C1 ZINC001571251036 953314019 /nfs/dbraw/zinc/31/40/19/953314019.db2.gz VGTULBNWXNMKSK-KGLIPLIRSA-N 1 0 384.484 1.860 20 0 GDADRO O=C([C@H]1CCCOC1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571251095 953314683 /nfs/dbraw/zinc/31/46/83/953314683.db2.gz VXFFOTIHLSNEQS-WMZOPIPTSA-N 1 0 384.484 1.622 20 0 GDADRO O=C(CC1CCOCC1)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571251414 953316192 /nfs/dbraw/zinc/31/61/92/953316192.db2.gz XIRNKIVGJMDQJQ-KRWDZBQOSA-N 1 0 384.484 1.764 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001571251876 953320553 /nfs/dbraw/zinc/32/05/53/953320553.db2.gz BZCAEIUOWKOGTC-GDBMZVCRSA-N 1 0 384.488 1.300 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252050 953322855 /nfs/dbraw/zinc/32/28/55/953322855.db2.gz GGQNIDFPLNFSGM-GDBMZVCRSA-N 1 0 384.488 1.397 20 0 GDADRO Cc1nc(N[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)ccc1-c1nn[nH]n1 ZINC001571252117 953324414 /nfs/dbraw/zinc/32/44/14/953324414.db2.gz HWZKRJPJVDTSMK-DZGCQCFKSA-N 1 0 384.488 1.315 20 0 GDADRO CN(c1ccncc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001571252689 953332154 /nfs/dbraw/zinc/33/21/54/953332154.db2.gz UCSXUHJPNJJWAD-GJZGRUSLSA-N 1 0 384.488 1.173 20 0 GDADRO CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571252778 953333191 /nfs/dbraw/zinc/33/31/91/953333191.db2.gz WFGQVOBIZDJDNZ-HNNXBMFYSA-N 1 0 384.488 1.031 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)no1 ZINC001571254189 953336834 /nfs/dbraw/zinc/33/68/34/953336834.db2.gz DODNODPDGIRXLG-CQSZACIVSA-N 1 0 385.403 1.697 20 0 GDADRO Cc1ocnc1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571254487 953339135 /nfs/dbraw/zinc/33/91/35/953339135.db2.gz GWPWZBRCBURXEA-ZUZCIYMTSA-N 1 0 385.403 1.553 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)no1 ZINC001571254517 953339649 /nfs/dbraw/zinc/33/96/49/953339649.db2.gz HAUYLIVUVWUDCN-GFCCVEGCSA-N 1 0 385.403 1.554 20 0 GDADRO C[C@H]1CN(C(=O)c2cnco2)C[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571254524 953339866 /nfs/dbraw/zinc/33/98/66/953339866.db2.gz HAZFWDAHBOZDAD-AAEUAGOBSA-N 1 0 385.403 1.492 20 0 GDADRO CCc1ncoc1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571255336 953348065 /nfs/dbraw/zinc/34/80/65/953348065.db2.gz NRMBAFIBTVHJHN-CYBMUJFWSA-N 1 0 385.403 1.561 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1ccon1 ZINC001571255456 953350143 /nfs/dbraw/zinc/35/01/43/953350143.db2.gz QGDXRWVHAXHIJQ-CYBMUJFWSA-N 1 0 385.403 1.636 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)co1 ZINC001571255805 953355842 /nfs/dbraw/zinc/35/58/42/953355842.db2.gz UCUOMMYNYQOIQO-CQSZACIVSA-N 1 0 385.403 1.697 20 0 GDADRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1CC[NH+](CC(=O)[O-])CC1 ZINC000874047234 956106334 /nfs/dbraw/zinc/10/63/34/956106334.db2.gz MDHMXUDWDVLMJC-HNNXBMFYSA-N 1 0 387.480 1.980 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000874394315 956147335 /nfs/dbraw/zinc/14/73/35/956147335.db2.gz MWXTULYJHISCCD-UHFFFAOYSA-N 1 0 396.532 1.117 20 0 GDADRO O=C([O-])c1cc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC001605776536 972484972 /nfs/dbraw/zinc/48/49/72/972484972.db2.gz BUGXAUSLMLWXLS-UHFFFAOYSA-N 1 0 384.440 1.509 20 0 GDADRO CC(C)[C@H](NC(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-] ZINC001591866207 976166541 /nfs/dbraw/zinc/16/65/41/976166541.db2.gz CHLVAPUWMMDZNI-FQEVSTJZSA-N 1 0 396.576 1.340 20 0 GDADRO C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001592268916 977525560 /nfs/dbraw/zinc/52/55/60/977525560.db2.gz OISJBQJDCYWERF-RHSMWYFYSA-N 1 0 375.469 1.850 20 0 GDADRO C[C@](Cn1cccn1)([NH2+]Cc1ccc(OCCN2CCOCC2)cc1)C(=O)[O-] ZINC000905809688 981161804 /nfs/dbraw/zinc/16/18/04/981161804.db2.gz ZCZRGTOCEAGBFJ-HXUWFJFHSA-N 1 0 388.468 1.227 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001594479612 985517702 /nfs/dbraw/zinc/51/77/02/985517702.db2.gz MDPWAGRNVIBPTE-LSDHHAIUSA-N 1 0 375.473 1.107 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC001594515987 985893427 /nfs/dbraw/zinc/89/34/27/985893427.db2.gz MIPGCAAHMDRJTC-DOTOQJQBSA-N 1 0 377.489 1.265 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC001598199220 990806157 /nfs/dbraw/zinc/80/61/57/990806157.db2.gz BAYZKKNIIMKPIW-KRWDZBQOSA-N 1 0 376.501 1.623 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC001598199223 990806312 /nfs/dbraw/zinc/80/63/12/990806312.db2.gz BAYZKKNIIMKPIW-QGZVFWFLSA-N 1 0 376.501 1.623 20 0 GDADRO C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001593061981 993573142 /nfs/dbraw/zinc/57/31/42/993573142.db2.gz FKBCYGVGMSYANV-YTQUADARSA-N 1 0 388.512 1.555 20 0 GDADRO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001598616298 993885946 /nfs/dbraw/zinc/88/59/46/993885946.db2.gz DMOFMEJMTKKHPN-UHFFFAOYSA-N 1 0 377.382 1.979 20 0 GDADRO C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCn2cc(C(=O)[O-])nn2)CC1 ZINC001598623071 994040477 /nfs/dbraw/zinc/04/04/77/994040477.db2.gz UPXGAHQSWOGUJD-UHFFFAOYSA-N 1 0 378.864 1.171 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC[NH2+]1 ZINC001594256998 998989002 /nfs/dbraw/zinc/98/90/02/998989002.db2.gz BPDMPLLHANKQEZ-HOCLYGCPSA-N 1 0 375.473 1.155 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@]2(CO)COc3ccccc3C2)cc1 ZINC000528647261 1126096510 /nfs/dbraw/zinc/09/65/10/1126096510.db2.gz XGUSEQNBWZEUGA-LJQANCHMSA-N 1 0 376.478 1.393 20 0 GDADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000631237287 1126102025 /nfs/dbraw/zinc/10/20/25/1126102025.db2.gz NLPNMHNTRYQAGN-OAQYLSRUSA-N 1 0 388.512 1.657 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc(N3CCOCC3)s2)[C@H](O)C1 ZINC000865746021 1126116042 /nfs/dbraw/zinc/11/60/42/1126116042.db2.gz IEKLOOSDHPKBFH-LSDHHAIUSA-N 1 0 398.529 1.440 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)cc1OC ZINC000873192279 1126120362 /nfs/dbraw/zinc/12/03/62/1126120362.db2.gz CLLANBUXNYQAFZ-XLIONFOSSA-N 1 0 390.484 1.558 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)cc1OC ZINC000873193034 1126120936 /nfs/dbraw/zinc/12/09/36/1126120936.db2.gz MJHBNNJFACDKGU-FQEVSTJZSA-N 1 0 375.469 1.817 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2coc(S(N)(=O)=O)c2)cc1OC ZINC001308117530 1126163435 /nfs/dbraw/zinc/16/34/35/1126163435.db2.gz VREOWBKPCKFZJH-KRWDZBQOSA-N 1 0 384.454 1.028 20 0 GDADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC001603565357 1126227644 /nfs/dbraw/zinc/22/76/44/1126227644.db2.gz UGDAIULKNIMBEW-IBGZPJMESA-N 1 0 381.415 1.737 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1OC ZINC001656297518 1126257810 /nfs/dbraw/zinc/25/78/10/1126257810.db2.gz DQIHLOBXDSDVNE-FQEVSTJZSA-N 1 0 389.452 1.355 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)sc1Br ZINC000158939992 530537370 /nfs/dbraw/zinc/53/73/70/530537370.db2.gz VDWGPDROJLQYCY-NSHDSACASA-N 1 0 397.360 1.944 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000159071444 530539710 /nfs/dbraw/zinc/53/97/10/530539710.db2.gz WEUMPKVBIAZOQW-LLVKDONJSA-N 1 0 389.315 1.924 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccc(C)s2)C1 ZINC000159133885 530540614 /nfs/dbraw/zinc/54/06/14/530540614.db2.gz QWPCGDIWNOJKKU-CQSZACIVSA-N 1 0 388.559 1.366 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000163188495 530574149 /nfs/dbraw/zinc/57/41/49/530574149.db2.gz NLJQENWUKFWOCB-GFCCVEGCSA-N 1 0 399.333 1.862 20 0 GDADRO Cn1c(=O)c2ccsc2nc1SCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000023535930 530575358 /nfs/dbraw/zinc/57/53/58/530575358.db2.gz BFZYIXQZITXZIG-UHFFFAOYSA-N 1 0 378.523 1.830 20 0 GDADRO C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000165379184 530580722 /nfs/dbraw/zinc/58/07/22/530580722.db2.gz UJWOBOUNXJRHPB-NEPJUHHUSA-N 1 0 383.290 1.877 20 0 GDADRO O=C(NC[C@@H]1CCCS1(=O)=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000165980968 530581260 /nfs/dbraw/zinc/58/12/60/530581260.db2.gz HLKZWEVRPAOESG-INIZCTEOSA-N 1 0 385.555 1.837 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000025524378 530582172 /nfs/dbraw/zinc/58/21/72/530582172.db2.gz WYVDUEDXOZNJLK-GFCCVEGCSA-N 1 0 382.302 1.993 20 0 GDADRO CNC(=O)CC[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000170780987 530588805 /nfs/dbraw/zinc/58/88/05/530588805.db2.gz VIGCZPAMVZXEDH-LLVKDONJSA-N 1 0 379.682 1.910 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000170866196 530590020 /nfs/dbraw/zinc/59/00/20/530590020.db2.gz VZAQADSOANUJCJ-AWEZNQCLSA-N 1 0 389.315 1.526 20 0 GDADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(Br)cn3)CC2)CC1 ZINC000171216941 530595736 /nfs/dbraw/zinc/59/57/36/530595736.db2.gz HOOPBLABCCGAQG-UHFFFAOYSA-N 1 0 381.318 1.944 20 0 GDADRO CS(=O)(=O)NCCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000171817347 530603407 /nfs/dbraw/zinc/60/34/07/530603407.db2.gz NFELQHHVFJJFFL-UHFFFAOYSA-N 1 0 387.933 1.704 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)C(=O)N1CCc2ccc(Br)cc21 ZINC000171953631 530605418 /nfs/dbraw/zinc/60/54/18/530605418.db2.gz XUTZLHYERGFSHA-UHFFFAOYSA-N 1 0 380.286 1.940 20 0 GDADRO CCS(=O)(=O)N1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000172112478 530607815 /nfs/dbraw/zinc/60/78/15/530607815.db2.gz JWFVRTBSZASOMI-HNNXBMFYSA-N 1 0 376.567 1.466 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(I)cc1 ZINC000036300073 530614405 /nfs/dbraw/zinc/61/44/05/530614405.db2.gz XYWLKVHEWCIYRB-UHFFFAOYSA-N 1 0 380.251 1.664 20 0 GDADRO CO[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)[C@@H](C[NH3+])C1 ZINC000167290837 530584259 /nfs/dbraw/zinc/58/42/59/530584259.db2.gz YINSJALHEXVHFV-NEPJUHHUSA-N 1 0 377.304 1.884 20 0 GDADRO C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000041798686 530624691 /nfs/dbraw/zinc/62/46/91/530624691.db2.gz YNNIZRGHZCWRHV-JTQLQIEISA-N 1 0 396.285 1.890 20 0 GDADRO CN1CCC([NH+]2CCC(NC(=O)c3c[nH]c(=O)c(Br)c3)CC2)CC1 ZINC000173348977 530628277 /nfs/dbraw/zinc/62/82/77/530628277.db2.gz KNMIZNNHZADORV-UHFFFAOYSA-N 1 0 397.317 1.426 20 0 GDADRO CC[NH+]1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000044019579 530637218 /nfs/dbraw/zinc/63/72/18/530637218.db2.gz VFGOYKXPKIORHB-UHFFFAOYSA-N 1 0 379.935 1.623 20 0 GDADRO C[C@H](O)CC[N@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000173823516 530638014 /nfs/dbraw/zinc/63/80/14/530638014.db2.gz APIKICGHERPVHA-LBPRGKRZSA-N 1 0 375.300 1.740 20 0 GDADRO CN(C)C(=O)C1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000041106258 530620410 /nfs/dbraw/zinc/62/04/10/530620410.db2.gz JICMTFFNVWRJQV-UHFFFAOYSA-N 1 0 393.285 1.757 20 0 GDADRO C[NH+]1CCC(CNS(=O)(=O)c2cccc(Cl)c2)(N2CCOCC2)CC1 ZINC000040616388 530620422 /nfs/dbraw/zinc/62/04/22/530620422.db2.gz UAVNUOAYTPKUGX-UHFFFAOYSA-N 1 0 387.933 1.415 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000176257826 530680297 /nfs/dbraw/zinc/68/02/97/530680297.db2.gz BSHLXMNRQDDISI-UHFFFAOYSA-N 1 0 387.552 1.678 20 0 GDADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000176250418 530680488 /nfs/dbraw/zinc/68/04/88/530680488.db2.gz LVLMZTZPALOMCZ-UHFFFAOYSA-N 1 0 393.200 1.437 20 0 GDADRO CC(C)[NH+]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000045518900 530644915 /nfs/dbraw/zinc/64/49/15/530644915.db2.gz GGYBFSKGATYDMN-UHFFFAOYSA-N 1 0 385.555 1.628 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NCCOc2ccc(Br)cc2)CC1=O ZINC000174345353 530647189 /nfs/dbraw/zinc/64/71/89/530647189.db2.gz WKZZBZZUICTORX-CYBMUJFWSA-N 1 0 398.301 1.354 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)CN(C)S(C)(=O)=O)c1ccccc1Cl ZINC000046146326 530649645 /nfs/dbraw/zinc/64/96/45/530649645.db2.gz GIRNOZLLEMKOLP-HNNXBMFYSA-N 1 0 375.922 1.731 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(CC(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000174545146 530650866 /nfs/dbraw/zinc/65/08/66/530650866.db2.gz HCAABFAUUZUIKV-HNNXBMFYSA-N 1 0 396.333 1.494 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)s1 ZINC000174656851 530652422 /nfs/dbraw/zinc/65/24/22/530652422.db2.gz 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CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@H+](CCOC)CC2)c1 ZINC000048428696 530668084 /nfs/dbraw/zinc/66/80/84/530668084.db2.gz LVZJZZJWPNEREQ-UHFFFAOYSA-N 1 0 389.905 1.042 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2I)C1 ZINC000048758679 530670947 /nfs/dbraw/zinc/67/09/47/530670947.db2.gz FOKKZUTUVNTNMI-JTQLQIEISA-N 1 0 387.221 1.440 20 0 GDADRO CC(C)[C@H](CNC(=O)NCCCN(C)S(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC000049123278 530672041 /nfs/dbraw/zinc/67/20/41/530672041.db2.gz GMLQTPIMZWUMTA-INIZCTEOSA-N 1 0 376.567 1.324 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000052693538 530687407 /nfs/dbraw/zinc/68/74/07/530687407.db2.gz KJLWQAWLHGNCNT-ZDUSSCGKSA-N 1 0 384.527 1.992 20 0 GDADRO Cc1nc(C)c(S(=O)(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)s1 ZINC000176861933 530693210 /nfs/dbraw/zinc/69/32/10/530693210.db2.gz KKYXMWOCQXSYMI-KBPBESRZSA-N 1 0 386.587 1.939 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)CC[NH+](C)C)c1 ZINC000176970008 530694815 /nfs/dbraw/zinc/69/48/15/530694815.db2.gz YEJMUQYWTRJWJQ-UHFFFAOYSA-N 1 0 379.276 1.418 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000177111805 530697177 /nfs/dbraw/zinc/69/71/77/530697177.db2.gz SJQQPHRSEHBPLZ-MNOVXSKESA-N 1 0 391.946 1.763 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000054025590 530697796 /nfs/dbraw/zinc/69/77/96/530697796.db2.gz QIHZDRIETSASQM-AWEZNQCLSA-N 1 0 382.511 1.498 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000177136453 530697833 /nfs/dbraw/zinc/69/78/33/530697833.db2.gz ZPHOOYWALSJLKW-UHFFFAOYSA-N 1 0 387.933 1.256 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000178434594 530720897 /nfs/dbraw/zinc/72/08/97/530720897.db2.gz OQQJLSNHSOTUDT-UONOGXRCSA-N 1 0 376.544 1.801 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000056844958 530720915 /nfs/dbraw/zinc/72/09/15/530720915.db2.gz JXIYRPQDBUKLOX-DGCLKSJQSA-N 1 0 387.552 1.896 20 0 GDADRO CC1CC[NH+](CCNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000054779546 530702638 /nfs/dbraw/zinc/70/26/38/530702638.db2.gz LNJNVPUWJBKMMR-UHFFFAOYSA-N 1 0 387.933 1.857 20 0 GDADRO CN(CC(=O)N1CC[NH+](CC2CC2)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000055668564 530711484 /nfs/dbraw/zinc/71/14/84/530711484.db2.gz LOCXUMIIOQJQKM-UHFFFAOYSA-N 1 0 391.946 1.576 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000179219554 530737155 /nfs/dbraw/zinc/73/71/55/530737155.db2.gz GYUUPJRTPZSDAJ-NSHDSACASA-N 1 0 389.880 1.827 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000060783411 530738420 /nfs/dbraw/zinc/73/84/20/530738420.db2.gz TZDWGAPJNDMXCR-UHFFFAOYSA-N 1 0 377.457 1.337 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000179401227 530740082 /nfs/dbraw/zinc/74/00/82/530740082.db2.gz BPYCESWKZBZJRT-OAHLLOKOSA-N 1 0 385.302 1.915 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)CSc2ccc(C(F)(F)F)cn2)CC1 ZINC000061524992 530740843 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C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000058019620 530730163 /nfs/dbraw/zinc/73/01/63/530730163.db2.gz HTXSLKVFUSAQDN-UHFFFAOYSA-N 1 0 380.297 1.388 20 0 GDADRO CN(C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)[C@@H]1CC[NH2+]C1 ZINC000179046544 530734442 /nfs/dbraw/zinc/73/44/42/530734442.db2.gz SGWSCEAALHNOJN-CQSZACIVSA-N 1 0 379.507 1.661 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)c2nc3ncc(Br)cn3n2)C[C@H](C)O1 ZINC000065630773 530755091 /nfs/dbraw/zinc/75/50/91/530755091.db2.gz HHYMDGPONDBXDA-QWRGUYRKSA-N 1 0 397.277 1.116 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)s1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066143309 530759478 /nfs/dbraw/zinc/75/94/78/530759478.db2.gz XUGXEELFRMLSDB-LLVKDONJSA-N 1 0 386.315 1.937 20 0 GDADRO CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000066977085 530771168 /nfs/dbraw/zinc/77/11/68/530771168.db2.gz WFOMIABYLSWPLA-HNNXBMFYSA-N 1 0 376.567 1.418 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000180771174 530771581 /nfs/dbraw/zinc/77/15/81/530771581.db2.gz FTIJNUNYMAWMDD-OAHLLOKOSA-N 1 0 376.567 1.466 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000180765468 530771717 /nfs/dbraw/zinc/77/17/17/530771717.db2.gz DKOYCAGZVZPERX-ZWNOBZJWSA-N 1 0 379.404 1.409 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2nnc(C(F)F)n2C)C1 ZINC000181289998 530780782 /nfs/dbraw/zinc/78/07/82/530780782.db2.gz DQOVICZOMXIJNB-LLVKDONJSA-N 1 0 377.461 1.318 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068133573 530783810 /nfs/dbraw/zinc/78/38/10/530783810.db2.gz HKORAKZRDLWSGF-GJZGRUSLSA-N 1 0 385.555 1.892 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000066872526 530767956 /nfs/dbraw/zinc/76/79/56/530767956.db2.gz ZDODMQZRZJFWCQ-UHFFFAOYSA-N 1 0 380.901 1.965 20 0 GDADRO CCC(CC)[C@@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)[NH+]1CCCC1 ZINC000069397954 530797277 /nfs/dbraw/zinc/79/72/77/530797277.db2.gz NTRHATZUUCHRRO-OAHLLOKOSA-N 1 0 376.567 1.514 20 0 GDADRO O=S(=O)(N[C@@H]1CCCC[NH2+]C1)c1ccc(I)cc1 ZINC000070120950 530801857 /nfs/dbraw/zinc/80/18/57/530801857.db2.gz XYHUKQIQRBCJLR-LLVKDONJSA-N 1 0 380.251 1.712 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000182733751 530803996 /nfs/dbraw/zinc/80/39/96/530803996.db2.gz RCCMZULCYGZNHN-GFCCVEGCSA-N 1 0 391.331 1.982 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000182733698 530804252 /nfs/dbraw/zinc/80/42/52/530804252.db2.gz AYXGKXDFBXETFE-LLVKDONJSA-N 1 0 377.304 1.592 20 0 GDADRO CC(C)[C@@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC000069066344 530794836 /nfs/dbraw/zinc/79/48/36/530794836.db2.gz LQNMEYDLNKHWPV-OAHLLOKOSA-N 1 0 376.567 1.370 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000069144370 530795939 /nfs/dbraw/zinc/79/59/39/530795939.db2.gz PZNYOLDHCTXWNR-QWHCGFSZSA-N 1 0 378.288 1.356 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000184336852 530827315 /nfs/dbraw/zinc/82/73/15/530827315.db2.gz SGJDPBWFRIQLBO-UHFFFAOYSA-N 1 0 381.292 1.050 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000184337834 530827587 /nfs/dbraw/zinc/82/75/87/530827587.db2.gz ZUXOAYCHCRRRON-UHFFFAOYSA-N 1 0 386.699 1.090 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000185050071 530835999 /nfs/dbraw/zinc/83/59/99/530835999.db2.gz DLOZHXOTNYNMHD-LJISPDSOSA-N 1 0 383.539 1.405 20 0 GDADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)C[C@@H]12 ZINC000185059465 530836118 /nfs/dbraw/zinc/83/61/18/530836118.db2.gz QAWBPYXFWHZNGT-YUELXQCFSA-N 1 0 383.539 1.271 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000182960753 530807900 /nfs/dbraw/zinc/80/79/00/530807900.db2.gz JQLRCJBIJAZOQG-AAEUAGOBSA-N 1 0 381.420 1.983 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(OC)c(Br)n3)C2)CC1 ZINC000183045040 530809140 /nfs/dbraw/zinc/80/91/40/530809140.db2.gz JNWXSCJTKXMGST-ZDUSSCGKSA-N 1 0 397.317 1.705 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NCC[NH2+]C2CC2)c1 ZINC000183145192 530810101 /nfs/dbraw/zinc/81/01/01/530810101.db2.gz KLIOJMCHAKHKSD-UHFFFAOYSA-N 1 0 391.287 1.656 20 0 GDADRO COc1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)nc1Br ZINC000183232767 530812130 /nfs/dbraw/zinc/81/21/30/530812130.db2.gz XWNSJMCWVYJXHI-UHFFFAOYSA-N 1 0 385.306 1.609 20 0 GDADRO COCCc1nc(C)c([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)s1 ZINC000092743475 530813024 /nfs/dbraw/zinc/81/30/24/530813024.db2.gz NDJDSYGCLHYKKM-LBPRGKRZSA-N 1 0 375.560 1.963 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C1CCN(CC(F)(F)F)CC1)c1cccs1 ZINC000183380022 530814069 /nfs/dbraw/zinc/81/40/69/530814069.db2.gz IFZAHCUBIIPAEX-LBPRGKRZSA-N 1 0 386.461 1.499 20 0 GDADRO O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCC[NH+]1CCCC1 ZINC000183368372 530814190 /nfs/dbraw/zinc/81/41/90/530814190.db2.gz DBBXLLVRQOBESK-UHFFFAOYSA-N 1 0 394.269 1.647 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cnn2cc(Br)cnc12 ZINC000094121900 530815898 /nfs/dbraw/zinc/81/58/98/530815898.db2.gz OLNKWYBBSARCLI-ZDUSSCGKSA-N 1 0 396.289 1.675 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1nc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000097043512 530820233 /nfs/dbraw/zinc/82/02/33/530820233.db2.gz XHFKPMZRTNALEO-LLVKDONJSA-N 1 0 394.324 1.969 20 0 GDADRO C[N@@H+]1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000097617971 530821398 /nfs/dbraw/zinc/82/13/98/530821398.db2.gz QNSATWMQDRANMJ-UHFFFAOYSA-N 1 0 385.555 1.629 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000183929462 530821791 /nfs/dbraw/zinc/82/17/91/530821791.db2.gz UVILOXNBECNOEB-UHFFFAOYSA-N 1 0 381.274 1.679 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nc2ncc(Br)cn2n1 ZINC000098035780 530822145 /nfs/dbraw/zinc/82/21/45/530822145.db2.gz RBGHZKOYPXYJLM-LLVKDONJSA-N 1 0 381.278 1.881 20 0 GDADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183918424 530822286 /nfs/dbraw/zinc/82/22/86/530822286.db2.gz YBZKHRPBVSIMKV-CQSZACIVSA-N 1 0 396.285 1.937 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O 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GDADRO O=C(NCC1=CC[NH2+]CC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000186354681 530855696 /nfs/dbraw/zinc/85/56/96/530855696.db2.gz OKUDBPSYYNQNIF-UHFFFAOYSA-N 1 0 383.901 1.774 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108307239 530856431 /nfs/dbraw/zinc/85/64/31/530856431.db2.gz FEOWJVRRNOXAPL-LLVKDONJSA-N 1 0 377.919 1.280 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000108329447 530856810 /nfs/dbraw/zinc/85/68/10/530856810.db2.gz XTWJEENOWCLKQF-NSHDSACASA-N 1 0 394.269 1.503 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000186706251 530860052 /nfs/dbraw/zinc/86/00/52/530860052.db2.gz HPGBNHRNADCCFK-ZANVPECISA-N 1 0 380.242 1.159 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000186769314 530862307 /nfs/dbraw/zinc/86/23/07/530862307.db2.gz YORRHBIEKKCTGO-QMTHXVAHSA-N 1 0 394.269 1.549 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000109331115 530862468 /nfs/dbraw/zinc/86/24/68/530862468.db2.gz FWDJLKCUPZNAJP-GFCCVEGCSA-N 1 0 376.320 1.959 20 0 GDADRO C[NH+](C)[C@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000109805946 530864873 /nfs/dbraw/zinc/86/48/73/530864873.db2.gz WHVBBYOYISHCSM-ZDUSSCGKSA-N 1 0 397.317 1.530 20 0 GDADRO COCCN(C)S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000110109203 530866883 /nfs/dbraw/zinc/86/68/83/530866883.db2.gz UBEMMLBJZYYFSW-OAHLLOKOSA-N 1 0 375.560 1.934 20 0 GDADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(Br)c1 ZINC000110490853 530867076 /nfs/dbraw/zinc/86/70/76/530867076.db2.gz UXIGISWPZMZZLR-CHWSQXEVSA-N 1 0 375.288 1.591 20 0 GDADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2ccsc2Cl)ccn1 ZINC000187405133 530872438 /nfs/dbraw/zinc/87/24/38/530872438.db2.gz PSVWTEXHZUUVFO-UHFFFAOYSA-N 1 0 382.873 1.992 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000185597608 530843888 /nfs/dbraw/zinc/84/38/88/530843888.db2.gz KIIKHIJUSNPEBC-UHFFFAOYSA-N 1 0 392.681 1.471 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)cc1C ZINC000105730464 530844318 /nfs/dbraw/zinc/84/43/18/530844318.db2.gz BDMNUHKHZYCEBH-UHFFFAOYSA-N 1 0 386.290 1.733 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188768505 530901322 /nfs/dbraw/zinc/90/13/22/530901322.db2.gz IEHJWGFCCQVDDR-LLVKDONJSA-N 1 0 390.285 1.827 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccsc2Cl)CC1 ZINC000189021420 530905795 /nfs/dbraw/zinc/90/57/95/530905795.db2.gz GKSWXWKJRNMYBA-UHFFFAOYSA-N 1 0 386.905 1.256 20 0 GDADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783801 530906680 /nfs/dbraw/zinc/90/66/80/530906680.db2.gz FQUQKCNFMUQZEQ-VXGBXAGGSA-N 1 0 388.295 1.901 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000189100310 530907405 /nfs/dbraw/zinc/90/74/05/530907405.db2.gz BXWIHJBSVAGBAY-UHFFFAOYSA-N 1 0 380.283 1.114 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc(OC)ccc2Cl)CC1 ZINC000189118599 530907925 /nfs/dbraw/zinc/90/79/25/530907925.db2.gz LJQVANKQTANQSN-CYBMUJFWSA-N 1 0 375.922 1.653 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000189118773 530908557 /nfs/dbraw/zinc/90/85/57/530908557.db2.gz IYRPFUCZJPAHQS-CYBMUJFWSA-N 1 0 377.913 1.925 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000111493546 530875636 /nfs/dbraw/zinc/87/56/36/530875636.db2.gz CJVPBGGCDJMQQG-AWEZNQCLSA-N 1 0 399.333 1.905 20 0 GDADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000112273207 530880002 /nfs/dbraw/zinc/88/00/02/530880002.db2.gz TVXYNDMZEGWFEA-ZDUSSCGKSA-N 1 0 398.301 1.449 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000112295768 530880729 /nfs/dbraw/zinc/88/07/29/530880729.db2.gz SWTJVWQFWDSKES-ZIAGYGMSSA-N 1 0 384.318 1.969 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000188177776 530888058 /nfs/dbraw/zinc/88/80/58/530888058.db2.gz AJSKWFPUACYOME-LBPRGKRZSA-N 1 0 399.333 1.774 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000188204188 530888601 /nfs/dbraw/zinc/88/86/01/530888601.db2.gz APRULLYMSJZMJI-UHFFFAOYSA-N 1 0 396.738 1.628 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000113279395 530888583 /nfs/dbraw/zinc/88/85/83/530888583.db2.gz ZBYIDAXDRUUMRH-UHFFFAOYSA-N 1 0 394.324 1.529 20 0 GDADRO C[C@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[NH+]1CCCCCC1 ZINC000114176604 530893306 /nfs/dbraw/zinc/89/33/06/530893306.db2.gz ZSBQUFHFJHUNDH-CQSZACIVSA-N 1 0 387.933 1.999 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC000190432722 530930164 /nfs/dbraw/zinc/93/01/64/530930164.db2.gz UETNNTIFQZORKE-GFCCVEGCSA-N 1 0 398.301 1.799 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)nc2)[C@H](C)C1 ZINC000119844771 530931861 /nfs/dbraw/zinc/93/18/61/530931861.db2.gz ODDMVXRBXDFKOR-DGCLKSJQSA-N 1 0 383.290 1.971 20 0 GDADRO CC[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CC[N@@H+]1CCOC ZINC000117307735 530912141 /nfs/dbraw/zinc/91/21/41/530912141.db2.gz ATHULZMNRZMVJP-CQSZACIVSA-N 1 0 386.290 1.180 20 0 GDADRO COc1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)c(Br)c1 ZINC000118102192 530915970 /nfs/dbraw/zinc/91/59/70/530915970.db2.gz KFPCNSDTNNOUQL-AWEZNQCLSA-N 1 0 384.274 1.853 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000189690175 530918892 /nfs/dbraw/zinc/91/88/92/530918892.db2.gz MVLVGJIBVJULLX-UHFFFAOYSA-N 1 0 377.260 1.159 20 0 GDADRO O=S(=O)(CCc1cccs1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000189811479 530921060 /nfs/dbraw/zinc/92/10/60/530921060.db2.gz BXFXMDUYRHQRNL-KRWDZBQOSA-N 1 0 380.535 1.977 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189953819 530923311 /nfs/dbraw/zinc/92/33/11/530923311.db2.gz PEZRUFWATSDMIT-ZDUSSCGKSA-N 1 0 379.448 1.706 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cncc(I)c1 ZINC000119172501 530923575 /nfs/dbraw/zinc/92/35/75/530923575.db2.gz FCKMFAWOVOADDP-LLVKDONJSA-N 1 0 388.253 1.052 20 0 GDADRO CN(CCNC(=O)c1cccc(C[NH+](C)C)c1)S(=O)(=O)c1cccs1 ZINC000121635948 530959497 /nfs/dbraw/zinc/95/94/97/530959497.db2.gz NOGDZALKNLSNKK-UHFFFAOYSA-N 1 0 381.523 1.860 20 0 GDADRO C[C@H](CNC(=O)COc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000122037335 530965826 /nfs/dbraw/zinc/96/58/26/530965826.db2.gz SHDFIDCWDJHPTJ-CQSZACIVSA-N 1 0 384.318 1.828 20 0 GDADRO O=C(Cc1ccc(I)cc1)NCC[N@@H+]1CCCOCC1 ZINC000191011925 530942049 /nfs/dbraw/zinc/94/20/49/530942049.db2.gz JFKDYFTURUMIEM-UHFFFAOYSA-N 1 0 388.249 1.672 20 0 GDADRO COCCN(Cc1sccc1Br)C[C@@H](O)CN1CCOCC1 ZINC000191426511 530948223 /nfs/dbraw/zinc/94/82/23/530948223.db2.gz CYIALYIPEAYMRA-ZDUSSCGKSA-N 1 0 393.347 1.652 20 0 GDADRO O=S(=O)(NCC[NH+]1CCCC1)c1cc(Br)cc2c1OCC2 ZINC000191855686 530955510 /nfs/dbraw/zinc/95/55/10/530955510.db2.gz QTXDCLLKFABZME-UHFFFAOYSA-N 1 0 375.288 1.758 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCc2ccc(I)s2)C1 ZINC000191920924 530957303 /nfs/dbraw/zinc/95/73/03/530957303.db2.gz MNLOCNHLRKSXNN-WCBMZHEXSA-N 1 0 380.251 1.388 20 0 GDADRO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCC[NH+]1CCCC1 ZINC000192724005 530972695 /nfs/dbraw/zinc/97/26/95/530972695.db2.gz PUBWMTUYFRRGDL-UHFFFAOYSA-N 1 0 379.404 1.196 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccccc2Br)CC1 ZINC000193101967 530979650 /nfs/dbraw/zinc/97/96/50/530979650.db2.gz NZDUFYOIBSGRED-UHFFFAOYSA-N 1 0 376.320 1.365 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccccc2Br)CC1 ZINC000193105437 530979731 /nfs/dbraw/zinc/97/97/31/530979731.db2.gz AKZIUCYGOKRJPP-CYBMUJFWSA-N 1 0 390.347 1.753 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)NCCC[NH+]1CCCC1 ZINC000193132305 530980415 /nfs/dbraw/zinc/98/04/15/530980415.db2.gz VBKIDNUIRZXNRC-UHFFFAOYSA-N 1 0 396.285 1.777 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ncc1Br ZINC000193178152 530981171 /nfs/dbraw/zinc/98/11/71/530981171.db2.gz BROPNDYKUCIAJZ-GFCCVEGCSA-N 1 0 381.274 1.788 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ncc1Br ZINC000193178146 530981204 /nfs/dbraw/zinc/98/12/04/530981204.db2.gz BROPNDYKUCIAJZ-LBPRGKRZSA-N 1 0 381.274 1.788 20 0 GDADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC1 ZINC000193272829 530982624 /nfs/dbraw/zinc/98/26/24/530982624.db2.gz UAMXNNVRRBLZNJ-UHFFFAOYSA-N 1 0 375.288 1.757 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000193285872 530983298 /nfs/dbraw/zinc/98/32/98/530983298.db2.gz HOCKXGVQZUNAKX-GFCCVEGCSA-N 1 0 399.289 1.318 20 0 GDADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000193301875 530983545 /nfs/dbraw/zinc/98/35/45/530983545.db2.gz QOSJLPLQZSXGQC-SNVBAGLBSA-N 1 0 393.303 1.839 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)ncc1Br ZINC000193281214 530983843 /nfs/dbraw/zinc/98/38/43/530983843.db2.gz GGCCLJCKRKEFTH-UHFFFAOYSA-N 1 0 399.289 1.054 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000193311677 530984048 /nfs/dbraw/zinc/98/40/48/530984048.db2.gz KFQXFHXVIAIWTB-FZZIBODNSA-N 1 0 375.288 1.816 20 0 GDADRO COc1ccc(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000123498527 530984291 /nfs/dbraw/zinc/98/42/91/530984291.db2.gz PBYDERFEZRCIJQ-UHFFFAOYSA-N 1 0 375.922 1.607 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1Br ZINC000193349829 530984621 /nfs/dbraw/zinc/98/46/21/530984621.db2.gz QTELAJHTLQRHMD-NSHDSACASA-N 1 0 390.303 1.746 20 0 GDADRO Cn1c2ccc(C[NH2+]C[C@]3(N4CCOCC4)CCSC3)cc2sc1=O ZINC000192497550 530968713 /nfs/dbraw/zinc/96/87/13/530968713.db2.gz OHFBBBUIZLUOIT-GOSISDBHSA-N 1 0 379.551 1.898 20 0 GDADRO CN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000192639641 530971446 /nfs/dbraw/zinc/97/14/46/530971446.db2.gz FQRJEDLNBDBURM-UHFFFAOYSA-N 1 0 395.710 1.932 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000124308693 530993772 /nfs/dbraw/zinc/99/37/72/530993772.db2.gz YDSNXVPRBXBWNQ-AWEZNQCLSA-N 1 0 385.917 1.996 20 0 GDADRO CN(CCC[NH3+])S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000124607774 530997392 /nfs/dbraw/zinc/99/73/92/530997392.db2.gz RSSRADPINDAVIA-UHFFFAOYSA-N 1 0 376.276 1.303 20 0 GDADRO CC1(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)CC[NH2+]CC1 ZINC000193398539 530985878 /nfs/dbraw/zinc/98/58/78/530985878.db2.gz VUODJQPAGYCNFN-UHFFFAOYSA-N 1 0 393.285 1.807 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000193419618 530986492 /nfs/dbraw/zinc/98/64/92/530986492.db2.gz RNOJVQMTWFXPGS-LDYMZIIASA-N 1 0 381.267 1.873 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c(Br)c1 ZINC000193450152 530986651 /nfs/dbraw/zinc/98/66/51/530986651.db2.gz YHJWREAOPQIANU-BXKDBHETSA-N 1 0 391.287 1.655 20 0 GDADRO CC[NH2+]CCNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000123655061 530986660 /nfs/dbraw/zinc/98/66/60/530986660.db2.gz WDZZMAOYRAXAMT-UHFFFAOYSA-N 1 0 376.276 1.222 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193457669 530987123 /nfs/dbraw/zinc/98/71/23/530987123.db2.gz VECQAHKVDULLGT-CABZTGNLSA-N 1 0 375.288 1.803 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ncc1Br ZINC000193523566 530988598 /nfs/dbraw/zinc/98/85/98/530988598.db2.gz MWLIYBMCVLQGGL-GHMZBOCLSA-N 1 0 381.274 1.832 20 0 GDADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000193574540 530989860 /nfs/dbraw/zinc/98/98/60/530989860.db2.gz CEMBLEWBXCANRW-NOZJJQNGSA-N 1 0 375.288 1.723 20 0 GDADRO C[N@H+](CCn1nc2ccccn2c1=O)[C@@H](CO)c1cccc(Br)c1 ZINC000125584240 531008161 /nfs/dbraw/zinc/00/81/61/531008161.db2.gz LNNLFJSIPRZPKI-HNNXBMFYSA-N 1 0 391.269 1.924 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(C)(C)C[NH+](C)C ZINC000126010811 531013110 /nfs/dbraw/zinc/01/31/10/531013110.db2.gz LKTSURYUDFLYQP-CYBMUJFWSA-N 1 0 376.544 1.486 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)s1 ZINC000126101491 531015069 /nfs/dbraw/zinc/01/50/69/531015069.db2.gz WNJOFJVZGHVHER-LBPRGKRZSA-N 1 0 375.560 1.681 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)cc1Cl ZINC000195305622 531019738 /nfs/dbraw/zinc/01/97/38/531019738.db2.gz CSMHMQXBOBHVSB-DTORHVGOSA-N 1 0 379.265 1.620 20 0 GDADRO Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1I ZINC000225464297 531030675 /nfs/dbraw/zinc/03/06/75/531030675.db2.gz ISAANMIPUVSPMR-GFCCVEGCSA-N 1 0 387.265 1.575 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ncc1Br ZINC000194238606 531001951 /nfs/dbraw/zinc/00/19/51/531001951.db2.gz SJAZZGIXGKIFGE-WCQYABFASA-N 1 0 383.290 1.890 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194382994 531004485 /nfs/dbraw/zinc/00/44/85/531004485.db2.gz JFTKAZDOJDIATG-KRWDZBQOSA-N 1 0 396.329 1.895 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)NC[C@H]2CCCC[NH2+]2)c1F ZINC000130608841 531063110 /nfs/dbraw/zinc/06/31/10/531063110.db2.gz XHOUCTQZMXCLCJ-SNVBAGLBSA-N 1 0 393.278 1.864 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000246152857 531064586 /nfs/dbraw/zinc/06/45/86/531064586.db2.gz HMSAWWFQVCUGBV-SWLSCSKDSA-N 1 0 382.302 1.978 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000246271100 531066000 /nfs/dbraw/zinc/06/60/00/531066000.db2.gz QRWZHMAXOAGPLL-HUUCEWRRSA-N 1 0 376.906 1.231 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000236584016 531037783 /nfs/dbraw/zinc/03/77/83/531037783.db2.gz SDLLPDJYDQANRO-LLVKDONJSA-N 1 0 382.258 1.535 20 0 GDADRO O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000236578167 531037951 /nfs/dbraw/zinc/03/79/51/531037951.db2.gz CAQGHKFRRPJYLZ-ZIAGYGMSSA-N 1 0 382.302 1.913 20 0 GDADRO O=C(NC[C@H]1CCCN(C(=O)c2cncc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000236587253 531038026 /nfs/dbraw/zinc/03/80/26/531038026.db2.gz KSBPYSLNRZAPRE-IUODEOHRSA-N 1 0 395.301 1.565 20 0 GDADRO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000236603174 531038262 /nfs/dbraw/zinc/03/82/62/531038262.db2.gz AXALBHHVXJMLPJ-SNVBAGLBSA-N 1 0 391.287 1.498 20 0 GDADRO O=C(CS(=O)(=O)Cc1cccc(Br)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000236634200 531038275 /nfs/dbraw/zinc/03/82/75/531038275.db2.gz ANQHLBMXFALWJR-CYBMUJFWSA-N 1 0 389.315 1.480 20 0 GDADRO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)N1CCN(Cc2cccs2)CC1 ZINC000128298605 531039785 /nfs/dbraw/zinc/03/97/85/531039785.db2.gz NHCMIBNEKAGJIY-DLBZAZTESA-N 1 0 381.567 1.599 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000236750556 531039900 /nfs/dbraw/zinc/03/99/00/531039900.db2.gz SQMSKIGZOIOWJD-UHFFFAOYSA-N 1 0 392.301 1.864 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000236777024 531040413 /nfs/dbraw/zinc/04/04/13/531040413.db2.gz WKMYGHPPLHVPPD-HNNXBMFYSA-N 1 0 383.286 1.602 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)s1 ZINC000236797651 531040491 /nfs/dbraw/zinc/04/04/91/531040491.db2.gz SSSQIXUZKNPORB-CYBMUJFWSA-N 1 0 387.571 1.873 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCCCN2CC[NH2+]CC2)cc1Cl ZINC000236766454 531040525 /nfs/dbraw/zinc/04/05/25/531040525.db2.gz QOVZPDYWSSQKOZ-UHFFFAOYSA-N 1 0 392.884 1.011 20 0 GDADRO CCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000236827059 531040546 /nfs/dbraw/zinc/04/05/46/531040546.db2.gz IYCYVANEVITKPK-LBPRGKRZSA-N 1 0 394.324 1.954 20 0 GDADRO CC(C)([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000236781009 531040682 /nfs/dbraw/zinc/04/06/82/531040682.db2.gz JIXJZWIJOGBWJB-UHFFFAOYSA-N 1 0 390.303 1.019 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](C)C[NH2+]C)c(Br)c1 ZINC000236983996 531041234 /nfs/dbraw/zinc/04/12/34/531041234.db2.gz RYNHAUBSDFTEPD-SNVBAGLBSA-N 1 0 393.303 1.760 20 0 GDADRO CCC[NH2+]CCNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000236909412 531041377 /nfs/dbraw/zinc/04/13/77/531041377.db2.gz ZULDRJOOKMMXJR-UHFFFAOYSA-N 1 0 396.285 1.941 20 0 GDADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000236877765 531041413 /nfs/dbraw/zinc/04/14/13/531041413.db2.gz CCYXDHGVYLACPN-UHFFFAOYSA-N 1 0 378.491 1.382 20 0 GDADRO CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)C1CC[NH2+]CC1 ZINC000237068950 531041809 /nfs/dbraw/zinc/04/18/09/531041809.db2.gz FJRBNYHGOCLZIG-UHFFFAOYSA-N 1 0 386.265 1.919 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000237108319 531042348 /nfs/dbraw/zinc/04/23/48/531042348.db2.gz GJYRQACJZDUHIQ-NSHDSACASA-N 1 0 392.319 1.089 20 0 GDADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCCN1CC[NH2+]CC1 ZINC000237117586 531042471 /nfs/dbraw/zinc/04/24/71/531042471.db2.gz BCBVVXOXHNEZOW-MRXNPFEDSA-N 1 0 398.345 1.666 20 0 GDADRO COCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000237310133 531044748 /nfs/dbraw/zinc/04/47/48/531044748.db2.gz MDICICMTHCMEKV-CYBMUJFWSA-N 1 0 398.301 1.463 20 0 GDADRO Cc1nc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1Br ZINC000128827473 531045228 /nfs/dbraw/zinc/04/52/28/531045228.db2.gz CJWLKECXQUVWJY-LBPRGKRZSA-N 1 0 398.305 1.861 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000237327029 531045548 /nfs/dbraw/zinc/04/55/48/531045548.db2.gz KNRJGOJDYCXCHF-ZANVPECISA-N 1 0 395.294 1.397 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC([NH3+])CC1 ZINC000237481654 531046647 /nfs/dbraw/zinc/04/66/47/531046647.db2.gz YQFKBZCKWQGRMY-NSHDSACASA-N 1 0 389.315 1.809 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000237435976 531046755 /nfs/dbraw/zinc/04/67/55/531046755.db2.gz DYIXJUNLQOCSNJ-CHWSQXEVSA-N 1 0 387.571 1.953 20 0 GDADRO C[C@@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)[C@H](C)C[NH2+]1 ZINC000237602929 531048549 /nfs/dbraw/zinc/04/85/49/531048549.db2.gz SGIDNTWNVJISGP-GHMZBOCLSA-N 1 0 379.258 1.368 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000237603800 531048713 /nfs/dbraw/zinc/04/87/13/531048713.db2.gz FESJADSHURRTGJ-NWDGAFQWSA-N 1 0 389.315 1.573 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000237635856 531048773 /nfs/dbraw/zinc/04/87/73/531048773.db2.gz RNGKJMFYFOYQJX-CMPLNLGQSA-N 1 0 379.404 1.479 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000237609751 531048784 /nfs/dbraw/zinc/04/87/84/531048784.db2.gz KIZXPZJCHRGKSB-SNVBAGLBSA-N 1 0 380.539 1.902 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000237595782 531049026 /nfs/dbraw/zinc/04/90/26/531049026.db2.gz XXYYRBWZPMREBK-LLVKDONJSA-N 1 0 375.441 1.171 20 0 GDADRO O=S(=O)(NCCCN1CC[NH2+]CC1)c1cc(F)ccc1Br ZINC000237725822 531049228 /nfs/dbraw/zinc/04/92/28/531049228.db2.gz KYTBAEYEVAFSCT-UHFFFAOYSA-N 1 0 380.283 1.162 20 0 GDADRO C[C@]1(C(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CCCC[NH2+]1 ZINC000237747302 531049369 /nfs/dbraw/zinc/04/93/69/531049369.db2.gz YGNFEOIOTGTNCC-CQSZACIVSA-N 1 0 385.452 1.334 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)NC[C@H]1CCCC[NH2+]1 ZINC000237708481 531049481 /nfs/dbraw/zinc/04/94/81/531049481.db2.gz HYVXFSOYNXMPCX-CYBMUJFWSA-N 1 0 378.416 1.823 20 0 GDADRO O=C(C[NH2+]C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000237777919 531050227 /nfs/dbraw/zinc/05/02/27/531050227.db2.gz VPUUNXCXIMTRGM-UHFFFAOYSA-N 1 0 392.308 1.578 20 0 GDADRO [NH3+]CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000237788637 531050423 /nfs/dbraw/zinc/05/04/23/531050423.db2.gz BBGKKXPOUMGHSL-LBPRGKRZSA-N 1 0 386.265 1.905 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC000237832341 531050593 /nfs/dbraw/zinc/05/05/93/531050593.db2.gz FFPFQZMZPVFRLT-UHFFFAOYSA-N 1 0 399.822 1.459 20 0 GDADRO [NH3+]C1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000237827322 531050796 /nfs/dbraw/zinc/05/07/96/531050796.db2.gz WWPXYBIIGQXUCU-UHFFFAOYSA-N 1 0 379.258 1.499 20 0 GDADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000237817101 531050999 /nfs/dbraw/zinc/05/09/99/531050999.db2.gz SRGRJQCCCXDCHV-BXUZGUMPSA-N 1 0 393.285 1.793 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237873809 531051278 /nfs/dbraw/zinc/05/12/78/531051278.db2.gz MTBCPJPCDVJHAG-KCXAZCMYSA-N 1 0 385.917 1.655 20 0 GDADRO [NH3+]CCCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000237904574 531052302 /nfs/dbraw/zinc/05/23/02/531052302.db2.gz GZIVILCLKSYCKT-UHFFFAOYSA-N 1 0 396.332 1.082 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000237945517 531053023 /nfs/dbraw/zinc/05/30/23/531053023.db2.gz ODBXULMICHRKJQ-SECBINFHSA-N 1 0 396.332 1.129 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000238062114 531054019 /nfs/dbraw/zinc/05/40/19/531054019.db2.gz JURLAJMYXWSALF-ZDUSSCGKSA-N 1 0 389.315 1.561 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc2ncc(I)n2c1 ZINC000129844898 531054701 /nfs/dbraw/zinc/05/47/01/531054701.db2.gz AULSFRDGJMJHGU-SNVBAGLBSA-N 1 0 384.221 1.668 20 0 GDADRO O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000245525164 531057373 /nfs/dbraw/zinc/05/73/73/531057373.db2.gz DZFOFQUQVNKUEF-XJKSGUPXSA-N 1 0 385.917 1.609 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(I)cc1 ZINC000131764821 531075378 /nfs/dbraw/zinc/07/53/78/531075378.db2.gz WPJYLVZTZQTFSR-ONGXEEELSA-N 1 0 380.251 1.792 20 0 GDADRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 ZINC000132005761 531076709 /nfs/dbraw/zinc/07/67/09/531076709.db2.gz BJGAGFJLXNTSDH-NSHDSACASA-N 1 0 387.303 1.732 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNc2ncc(I)cn2)CC1 ZINC000520307472 531076827 /nfs/dbraw/zinc/07/68/27/531076827.db2.gz CGTJEQVWBATXNL-NSHDSACASA-N 1 0 375.258 1.519 20 0 GDADRO CCNc1ncc(C(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)s1 ZINC000626272617 531077641 /nfs/dbraw/zinc/07/76/41/531077641.db2.gz GLZIVFQBOGNLGY-ZDUSSCGKSA-N 1 0 388.559 1.546 20 0 GDADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)C[C@H](C)c1nccs1 ZINC000248454794 531078739 /nfs/dbraw/zinc/07/87/39/531078739.db2.gz KMSGQKXJJXLYSV-NWDGAFQWSA-N 1 0 382.511 1.853 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000248575507 531078970 /nfs/dbraw/zinc/07/89/70/531078970.db2.gz DLOZHXOTNYNMHD-BYNSBNAKSA-N 1 0 383.539 1.405 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Br)C3)C[C@H]12 ZINC000248621375 531080173 /nfs/dbraw/zinc/08/01/73/531080173.db2.gz NAHWUMCHMGVHNF-GUIRCDHDSA-N 1 0 392.297 1.998 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]12 ZINC000248697902 531081394 /nfs/dbraw/zinc/08/13/94/531081394.db2.gz ZCYXTXFJNDXSPI-MSQAHXEGSA-N 1 0 392.297 1.998 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cn3)CC[C@H]21 ZINC000248726185 531081450 /nfs/dbraw/zinc/08/14/50/531081450.db2.gz HUITVAYKEDTUNX-WCQYABFASA-N 1 0 381.274 1.725 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)cn2)[C@@H](C)C1 ZINC000248720771 531081563 /nfs/dbraw/zinc/08/15/63/531081563.db2.gz FBCYTQMPUKRNJA-AAEUAGOBSA-N 1 0 383.290 1.971 20 0 GDADRO O=C(CCNC(=O)C[C@H]1CSCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000132590132 531082412 /nfs/dbraw/zinc/08/24/12/531082412.db2.gz TVEDNLRVKUJNMR-ZDUSSCGKSA-N 1 0 386.315 1.989 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000248819813 531082862 /nfs/dbraw/zinc/08/28/62/531082862.db2.gz BIKOSUFQHDKHNT-STQMWFEESA-N 1 0 398.301 1.092 20 0 GDADRO C[C@@H](O)C[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@H](C)CO ZINC000248992454 531083935 /nfs/dbraw/zinc/08/39/35/531083935.db2.gz XHJVLQRARGKUPY-GHMZBOCLSA-N 1 0 379.320 1.533 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000249193999 531085721 /nfs/dbraw/zinc/08/57/21/531085721.db2.gz PTNHDFMFSLYUPJ-AAEUAGOBSA-N 1 0 381.274 1.725 20 0 GDADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000133340412 531090464 /nfs/dbraw/zinc/09/04/64/531090464.db2.gz LBRRXGBCQSGRPW-ZDUSSCGKSA-N 1 0 377.304 1.709 20 0 GDADRO CO[C@@H](C[NH3+])C(=O)Nc1ccc(Br)c(I)c1 ZINC000261580932 531093237 /nfs/dbraw/zinc/09/32/37/531093237.db2.gz NEKKMLMNQMLWLW-VIFPVBQESA-N 1 0 399.026 1.966 20 0 GDADRO C[C@]1(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC[NH2+]C1 ZINC000262005532 531104847 /nfs/dbraw/zinc/10/48/47/531104847.db2.gz LVETUTAJQJHDAQ-INIZCTEOSA-N 1 0 375.897 1.785 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCCC[NH+]1CCC(O)CC1 ZINC000133847339 531095009 /nfs/dbraw/zinc/09/50/09/531095009.db2.gz ADYAMJQUQRBPQJ-UHFFFAOYSA-N 1 0 388.295 1.686 20 0 GDADRO COCC1(CNC(=O)c2cc(Br)cnc2N(C)C)CC[NH2+]CC1 ZINC000261700762 531096727 /nfs/dbraw/zinc/09/67/27/531096727.db2.gz JNDJSKZCJQPROE-UHFFFAOYSA-N 1 0 385.306 1.656 20 0 GDADRO COCC1(CNS(=O)(=O)c2cncc(Br)c2)CC[NH2+]CC1 ZINC000261713091 531096756 /nfs/dbraw/zinc/09/67/56/531096756.db2.gz PJWHZUWUZYDTSI-UHFFFAOYSA-N 1 0 378.292 1.139 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCc2ccc(OC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000262006635 531104933 /nfs/dbraw/zinc/10/49/33/531104933.db2.gz BOFQMNBSZLWVCO-UHFFFAOYSA-N 1 0 380.388 1.368 20 0 GDADRO COCC1(CNS(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)CC[NH2+]CC1 ZINC000262014982 531104958 /nfs/dbraw/zinc/10/49/58/531104958.db2.gz MQKJTKUCHWQYMF-LBPRGKRZSA-N 1 0 388.917 1.958 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000261756059 531097778 /nfs/dbraw/zinc/09/77/78/531097778.db2.gz JKWBKJAUQOJMNK-QBIMZIAESA-N 1 0 396.329 1.802 20 0 GDADRO Cc1nnc([C@H]2CN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)CCO2)[nH]1 ZINC000261769375 531098502 /nfs/dbraw/zinc/09/85/02/531098502.db2.gz KHWQQRITLPBSPL-CZUORRHYSA-N 1 0 394.273 1.650 20 0 GDADRO C[C@@H](NC(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000261764088 531098708 /nfs/dbraw/zinc/09/87/08/531098708.db2.gz WBFAQBWDFWVRAL-PBHICJAKSA-N 1 0 395.345 1.606 20 0 GDADRO C[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[C@@H](C[NH3+])C1 ZINC000261789240 531099483 /nfs/dbraw/zinc/09/94/83/531099483.db2.gz LUBWTSUSTAQDDN-UONOGXRCSA-N 1 0 385.555 1.661 20 0 GDADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)C1 ZINC000262009222 531105095 /nfs/dbraw/zinc/10/50/95/531105095.db2.gz MCZGGGJAUANNPS-LBPRGKRZSA-N 1 0 391.287 1.608 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000261996744 531105099 /nfs/dbraw/zinc/10/50/99/531105099.db2.gz FRQIHHHYMJLOHR-JTQLQIEISA-N 1 0 390.303 1.216 20 0 GDADRO CCNC(=O)N1CC[C@H](NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261877264 531101458 /nfs/dbraw/zinc/10/14/58/531101458.db2.gz YMYAKICKVBLHSN-BBRMVZONSA-N 1 0 383.290 1.543 20 0 GDADRO O=C(NC[C@@H]1CCCN(Cc2ccc(Br)cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000261894067 531101971 /nfs/dbraw/zinc/10/19/71/531101971.db2.gz ODOYWOOERYQHOA-BBRMVZONSA-N 1 0 381.318 1.924 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261939795 531103017 /nfs/dbraw/zinc/10/30/17/531103017.db2.gz DMYJUEHZWCACCH-QWRGUYRKSA-N 1 0 389.905 1.408 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@H](C[NH3+])C[C@H]3C)C2)s1 ZINC000261929753 531103083 /nfs/dbraw/zinc/10/30/83/531103083.db2.gz JMMAODJJRMTOCW-SNPRPXQTSA-N 1 0 385.555 1.653 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1C(F)(F)F ZINC000262083803 531107435 /nfs/dbraw/zinc/10/74/35/531107435.db2.gz QUZPMKFRKHQCSX-VHSXEESVSA-N 1 0 380.388 1.850 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000262100213 531108265 /nfs/dbraw/zinc/10/82/65/531108265.db2.gz VNSJLGLKQRMDJO-GXFFZTMASA-N 1 0 389.905 1.408 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000262152916 531109774 /nfs/dbraw/zinc/10/97/74/531109774.db2.gz ZCSHTUCKSOIHQY-MNOVXSKESA-N 1 0 376.276 1.096 20 0 GDADRO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262199090 531111721 /nfs/dbraw/zinc/11/17/21/531111721.db2.gz CWOPQRMOYWABJO-LLVKDONJSA-N 1 0 382.288 1.801 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000136026127 531112799 /nfs/dbraw/zinc/11/27/99/531112799.db2.gz XCEKLQIHHFGJMH-JTQLQIEISA-N 1 0 377.869 1.731 20 0 GDADRO C[NH2+]CCC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000262235702 531112973 /nfs/dbraw/zinc/11/29/73/531112973.db2.gz QWHTZAQBTJEURZ-UHFFFAOYSA-N 1 0 377.304 1.727 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262250697 531113740 /nfs/dbraw/zinc/11/37/40/531113740.db2.gz DHZSNZBAUWFQTN-RYUDHWBXSA-N 1 0 385.452 1.319 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N(C)CC(F)F ZINC000136238595 531113853 /nfs/dbraw/zinc/11/38/53/531113853.db2.gz AZOBEMNXZFSOIU-UHFFFAOYSA-N 1 0 377.457 1.562 20 0 GDADRO O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000262261089 531114418 /nfs/dbraw/zinc/11/44/18/531114418.db2.gz RCKJWSBLQGUQAP-UKRRQHHQSA-N 1 0 385.917 1.609 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262285802 531114987 /nfs/dbraw/zinc/11/49/87/531114987.db2.gz XXJHJXHTSHRJGU-UHFFFAOYSA-N 1 0 389.315 1.574 20 0 GDADRO CN(C)CCN(C(=O)c1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000136486001 531114999 /nfs/dbraw/zinc/11/49/99/531114999.db2.gz OLDWQTBSFGDHCC-LLVKDONJSA-N 1 0 395.344 1.702 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262310192 531116173 /nfs/dbraw/zinc/11/61/73/531116173.db2.gz CTVIJQYTYJEQOH-AWEZNQCLSA-N 1 0 379.507 1.615 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(Br)n1 ZINC000136821056 531116356 /nfs/dbraw/zinc/11/63/56/531116356.db2.gz ZQXYDEJXBBHTKB-ZDUSSCGKSA-N 1 0 383.290 1.517 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000262304838 531116388 /nfs/dbraw/zinc/11/63/88/531116388.db2.gz YBRYPEGQSIOGMZ-LSDHHAIUSA-N 1 0 385.555 1.634 20 0 GDADRO CCC[C@](C)([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000262327144 531116608 /nfs/dbraw/zinc/11/66/08/531116608.db2.gz UIORLGAYDXSRFG-AWEZNQCLSA-N 1 0 379.935 1.752 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCc2sccc2Br)CC[NH2+]CC1 ZINC000262341763 531117192 /nfs/dbraw/zinc/11/71/92/531117192.db2.gz FRJFHUJUNYNHHY-UHFFFAOYSA-N 1 0 381.317 1.294 20 0 GDADRO C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc(Cl)c2O1 ZINC000262336555 531117534 /nfs/dbraw/zinc/11/75/34/531117534.db2.gz SGEGGTYYENILTR-JSGCOSHPSA-N 1 0 385.917 1.332 20 0 GDADRO [NH3+][C@H](CNC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C1CC1 ZINC000137294159 531117656 /nfs/dbraw/zinc/11/76/56/531117656.db2.gz DPZURHWECOSEBM-CYBMUJFWSA-N 1 0 375.288 1.217 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000262382980 531118315 /nfs/dbraw/zinc/11/83/15/531118315.db2.gz YARDCVSODMWUGH-ZDUSSCGKSA-N 1 0 388.331 1.426 20 0 GDADRO Cc1nc([C@@H]2CCCN(C(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)C2)sc1C ZINC000262429208 531120462 /nfs/dbraw/zinc/12/04/62/531120462.db2.gz SSPBQWJSSQZTQD-CQSZACIVSA-N 1 0 385.555 1.633 20 0 GDADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000262489794 531121889 /nfs/dbraw/zinc/12/18/89/531121889.db2.gz HNBVTDJWIQTGBY-GFCCVEGCSA-N 1 0 386.279 1.656 20 0 GDADRO O=C(NC1CC[NH2+]CC1)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000262519916 531123245 /nfs/dbraw/zinc/12/32/45/531123245.db2.gz VVKLUBOWZACGIX-UHFFFAOYSA-N 1 0 379.507 1.708 20 0 GDADRO CC(=O)N(C)C1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000143766883 531123925 /nfs/dbraw/zinc/12/39/25/531123925.db2.gz ACFNFFZBNKQATC-UHFFFAOYSA-N 1 0 393.285 1.900 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000144307806 531123941 /nfs/dbraw/zinc/12/39/41/531123941.db2.gz AUQBGCVDKXJCRI-UKRRQHHQSA-N 1 0 383.539 1.644 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000262579102 531124359 /nfs/dbraw/zinc/12/43/59/531124359.db2.gz HTEXUTZVUCTHQJ-UHFFFAOYSA-N 1 0 382.258 1.488 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000262563138 531124524 /nfs/dbraw/zinc/12/45/24/531124524.db2.gz ATLADUAKQFVJOU-RBSFLKMASA-N 1 0 385.555 1.795 20 0 GDADRO CC[C@@H](NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1nc(C(F)(F)F)cs1 ZINC000262586510 531125004 /nfs/dbraw/zinc/12/50/04/531125004.db2.gz VLIWBJINKSVJIQ-SECBINFHSA-N 1 0 399.460 1.896 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000262738279 531128312 /nfs/dbraw/zinc/12/83/12/531128312.db2.gz HQBHBWUKJZELMZ-HNNXBMFYSA-N 1 0 375.516 1.244 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000262736243 531128391 /nfs/dbraw/zinc/12/83/91/531128391.db2.gz CNYNHLQAYITPGP-KBMXLJTQSA-N 1 0 385.555 1.343 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@H]3C)s2)CC1 ZINC000262746686 531128858 /nfs/dbraw/zinc/12/88/58/531128858.db2.gz FYJYYNZPGWOCPQ-UONOGXRCSA-N 1 0 385.555 1.991 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000262747157 531129066 /nfs/dbraw/zinc/12/90/66/531129066.db2.gz FGWNEVVKQYSZLC-GAFUQQFSSA-N 1 0 375.288 1.816 20 0 GDADRO C[NH2+]C[C@H](C)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000150723583 531129191 /nfs/dbraw/zinc/12/91/91/531129191.db2.gz SUMDRCCZYLJESN-NSHDSACASA-N 1 0 394.324 1.682 20 0 GDADRO COC1(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CC[NH2+]CC1 ZINC000150715805 531129244 /nfs/dbraw/zinc/12/92/44/531129244.db2.gz MZTFUNCKABCDJC-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000262762317 531129242 /nfs/dbraw/zinc/12/92/42/531129242.db2.gz JYGUMHCQWUTFNM-UHFFFAOYSA-N 1 0 392.319 1.031 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000262764719 531129536 /nfs/dbraw/zinc/12/95/36/531129536.db2.gz KNWYBSVYQVMWQK-GWCFXTLKSA-N 1 0 376.320 1.791 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000262769253 531130021 /nfs/dbraw/zinc/13/00/21/531130021.db2.gz VGUFTJXMBPBQIX-CYBMUJFWSA-N 1 0 375.516 1.340 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1F ZINC000262767945 531130082 /nfs/dbraw/zinc/13/00/82/531130082.db2.gz LGPILCNIIWNICE-FZMZJTMJSA-N 1 0 393.506 1.254 20 0 GDADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000262819978 531132174 /nfs/dbraw/zinc/13/21/74/531132174.db2.gz SEXBWQUQOWQXCN-GFCCVEGCSA-N 1 0 387.527 1.369 20 0 GDADRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000262857085 531133095 /nfs/dbraw/zinc/13/30/95/531133095.db2.gz KUHRHNBIYBTQMQ-ABAIWWIYSA-N 1 0 393.506 1.383 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)[NH+](C)C ZINC000151461165 531137913 /nfs/dbraw/zinc/13/79/13/531137913.db2.gz MRSNVWBBEIVAHY-ZDUSSCGKSA-N 1 0 387.468 1.388 20 0 GDADRO COC(=O)[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000151910406 531144280 /nfs/dbraw/zinc/14/42/80/531144280.db2.gz JFWANCSCBGQCRM-LBPRGKRZSA-N 1 0 378.441 1.467 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000263239733 531141016 /nfs/dbraw/zinc/14/10/16/531141016.db2.gz KWEXBWPGJXKJJS-BBRMVZONSA-N 1 0 397.317 1.244 20 0 GDADRO C[C@H](CNC(=O)C1=Cc2cc(Br)ccc2OC1)N1CC[NH+](C)CC1 ZINC000263699022 531149926 /nfs/dbraw/zinc/14/99/26/531149926.db2.gz AXEVSBITOMEKRF-CYBMUJFWSA-N 1 0 394.313 1.977 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000152405518 531150825 /nfs/dbraw/zinc/15/08/25/531150825.db2.gz NIZSDOMJPHVHQM-CQSZACIVSA-N 1 0 396.285 1.158 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000152407398 531151532 /nfs/dbraw/zinc/15/15/32/531151532.db2.gz HDWKAQCJNYLIAD-UHFFFAOYSA-N 1 0 396.285 1.989 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)/C=C/c1ccc(I)o1 ZINC000152855658 531158345 /nfs/dbraw/zinc/15/83/45/531158345.db2.gz OLWXWGDCEFDGMJ-IYNGYCSASA-N 1 0 378.210 1.326 20 0 GDADRO 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ZINC000291038335 531272573 /nfs/dbraw/zinc/27/25/73/531272573.db2.gz YYDCMJSZPDEGCB-YIONKMFJSA-N 1 0 385.917 1.702 20 0 GDADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000277428445 531281263 /nfs/dbraw/zinc/28/12/63/531281263.db2.gz BTYCWCQSGKGGGO-QWHCGFSZSA-N 1 0 385.917 1.947 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)CCC[N@@H+]1C ZINC000474766632 531282655 /nfs/dbraw/zinc/28/26/55/531282655.db2.gz GSYHROHBAGNXAO-DDTOSNHZSA-N 1 0 383.290 1.757 20 0 GDADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)CCn1cc(Br)cn1 ZINC000291314313 531285358 /nfs/dbraw/zinc/28/53/58/531285358.db2.gz UFASZZUJZMZHAZ-OAHLLOKOSA-N 1 0 387.322 1.897 20 0 GDADRO CCc1ccc(C[NH+]2CCN(CCNS(=O)(=O)CCCOC)CC2)s1 ZINC000475376370 531294971 /nfs/dbraw/zinc/29/49/71/531294971.db2.gz SBZXBNQFAAWAFS-UHFFFAOYSA-N 1 0 389.587 1.384 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000265931060 531299500 /nfs/dbraw/zinc/29/95/00/531299500.db2.gz OQLRWEOCQZHAJG-SMDDNHRTSA-N 1 0 375.300 1.572 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)s1 ZINC000277675299 531302720 /nfs/dbraw/zinc/30/27/20/531302720.db2.gz HZUKLIXNEDOSQF-UHFFFAOYSA-N 1 0 385.555 1.579 20 0 GDADRO C[NH+](C)CCNC(=O)C(=O)Nc1c(F)cc(I)cc1F ZINC000411228162 531309515 /nfs/dbraw/zinc/30/95/15/531309515.db2.gz QMABLZWKDXQAOV-UHFFFAOYSA-N 1 0 397.163 1.186 20 0 GDADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277766579 531309734 /nfs/dbraw/zinc/30/97/34/531309734.db2.gz MSFNTSMPIQXQQY-RISCZKNCSA-N 1 0 382.404 1.348 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000266158762 531317288 /nfs/dbraw/zinc/31/72/88/531317288.db2.gz HBNULPQMQCXNCE-AWEZNQCLSA-N 1 0 391.559 1.336 20 0 GDADRO Cn1nc(Br)cc1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000277788117 531311595 /nfs/dbraw/zinc/31/15/95/531311595.db2.gz ZVXUBVXIVBIRKH-LBPRGKRZSA-N 1 0 393.289 1.970 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439030563 531313429 /nfs/dbraw/zinc/31/34/29/531313429.db2.gz VCSDPMOOIZOQMV-UHFFFAOYSA-N 1 0 387.552 1.969 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000277836186 531315446 /nfs/dbraw/zinc/31/54/46/531315446.db2.gz PZHXOYGMIYSRNB-ZDUSSCGKSA-N 1 0 386.543 1.472 20 0 GDADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000266217247 531326185 /nfs/dbraw/zinc/32/61/85/531326185.db2.gz RMTAJIVUAUUCKJ-KGLIPLIRSA-N 1 0 389.543 1.040 20 0 GDADRO O=C(CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1)NC(=O)NCC(F)(F)F ZINC000411405535 531320909 /nfs/dbraw/zinc/32/09/09/531320909.db2.gz DDTKCJDWENLGTC-NEPJUHHUSA-N 1 0 383.436 1.751 20 0 GDADRO C[C@H](O)C[NH+]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439425544 531321454 /nfs/dbraw/zinc/32/14/54/531321454.db2.gz UPVWHFQVIYUGNF-SWLSCSKDSA-N 1 0 391.281 1.326 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000439541887 531322638 /nfs/dbraw/zinc/32/26/38/531322638.db2.gz MOTCBCHULQCTAS-UHFFFAOYSA-N 1 0 375.878 1.186 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c(Br)c1 ZINC000440409081 531336608 /nfs/dbraw/zinc/33/66/08/531336608.db2.gz SOLHOEZRQNJFLT-LBPRGKRZSA-N 1 0 393.303 1.887 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)C[NH2+]C)cc1 ZINC000440416374 531337793 /nfs/dbraw/zinc/33/77/93/531337793.db2.gz VRNZSZPGXNZKMA-CYBMUJFWSA-N 1 0 377.532 1.362 20 0 GDADRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000478010402 531338072 /nfs/dbraw/zinc/33/80/72/531338072.db2.gz SCLCCFXEMPEFIL-IUODEOHRSA-N 1 0 386.279 1.893 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000527957285 531338611 /nfs/dbraw/zinc/33/86/11/531338611.db2.gz QYVKOLRQRFOJNZ-TVYUQYBPSA-N 1 0 393.303 1.287 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(S(N)(=O)=O)cc1S(C)(=O)=O ZINC000266224782 531327250 /nfs/dbraw/zinc/32/72/50/531327250.db2.gz IJESVWISZDUKBZ-CYBMUJFWSA-N 1 0 389.543 1.048 20 0 GDADRO CSc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1Cl ZINC000411563917 531329245 /nfs/dbraw/zinc/32/92/45/531329245.db2.gz CJSFPJFJEFLYNA-ZDUSSCGKSA-N 1 0 385.917 1.963 20 0 GDADRO Cn1c2ccc(C[NH2+][C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)cc2sc1=O ZINC000527524151 531329334 /nfs/dbraw/zinc/32/93/34/531329334.db2.gz VVFMDQBDHSCALT-SUMWQHHRSA-N 1 0 382.507 1.426 20 0 GDADRO Cn1nccc1N1CCC[C@@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000278052010 531330130 /nfs/dbraw/zinc/33/01/30/531330130.db2.gz KPJAHBLHYDCLOJ-GDBMZVCRSA-N 1 0 392.301 1.968 20 0 GDADRO CSc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000411648741 531332652 /nfs/dbraw/zinc/33/26/52/531332652.db2.gz SWWAKARZOVQMPK-KBRIMQKVSA-N 1 0 388.555 1.598 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000477626262 531333501 /nfs/dbraw/zinc/33/35/01/531333501.db2.gz LAYUXBJGFXCHST-UHFFFAOYSA-N 1 0 385.486 1.835 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000440343075 531333601 /nfs/dbraw/zinc/33/36/01/531333601.db2.gz OQOFDAKEZLDCRM-AWEZNQCLSA-N 1 0 389.543 1.077 20 0 GDADRO [NH3+]C1CCC(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)CC1 ZINC000440348923 531334769 /nfs/dbraw/zinc/33/47/69/531334769.db2.gz YPRIXYVWNLBQIA-UHFFFAOYSA-N 1 0 389.275 1.579 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000440351514 531335051 /nfs/dbraw/zinc/33/50/51/531335051.db2.gz AXTGTSQINMBDOS-LRDDRELGSA-N 1 0 387.527 1.018 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@]2(CO)COc3ccccc3C2)cc1Cl ZINC000527768474 531336471 /nfs/dbraw/zinc/33/64/71/531336471.db2.gz AWMQXWUVHOHZTQ-KRWDZBQOSA-N 1 0 382.869 1.443 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000440854623 531347944 /nfs/dbraw/zinc/34/79/44/531347944.db2.gz AODRDCLKOCVIAV-UHFFFAOYSA-N 1 0 386.539 1.471 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2C)[C@H](C[NH3+])C1 ZINC000440849044 531348394 /nfs/dbraw/zinc/34/83/94/531348394.db2.gz ACSUJFDHSUGGBL-QWHCGFSZSA-N 1 0 377.304 1.884 20 0 GDADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000478715432 531348881 /nfs/dbraw/zinc/34/88/81/531348881.db2.gz CYCPJBKRWXWPMN-GOEBONIOSA-N 1 0 385.302 1.830 20 0 GDADRO CO[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)[C@H](C[NH3+])C1 ZINC000440861759 531349030 /nfs/dbraw/zinc/34/90/30/531349030.db2.gz RFLCTCVADZQUBZ-QWRGUYRKSA-N 1 0 393.868 1.564 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N(C3CC3)[C@H]3CC[NH2+]C3)c(Cl)cc21 ZINC000528046359 531340458 /nfs/dbraw/zinc/34/04/58/531340458.db2.gz XFNCBZNFQMNQNU-AWEZNQCLSA-N 1 0 383.901 1.764 20 0 GDADRO [NH3+]C[C@@H]1CN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000478260466 531341483 /nfs/dbraw/zinc/34/14/83/531341483.db2.gz DTAFLLUZZFDAQO-SNVBAGLBSA-N 1 0 376.770 1.494 20 0 GDADRO C[N@H+](Cc1ccc(I)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292193978 531341498 /nfs/dbraw/zinc/34/14/98/531341498.db2.gz NJXJMRUJLRSOOU-ZDUSSCGKSA-N 1 0 394.278 1.757 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000478442055 531342969 /nfs/dbraw/zinc/34/29/69/531342969.db2.gz ABPMHJMMFXWFOB-UHFFFAOYSA-N 1 0 381.479 1.518 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC[C@H]1[NH3+] ZINC000440760148 531343910 /nfs/dbraw/zinc/34/39/10/531343910.db2.gz YLRGKBHRMNOLNO-BXKDBHETSA-N 1 0 375.288 1.742 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000440757355 531344057 /nfs/dbraw/zinc/34/40/57/531344057.db2.gz KPQOGXRCWQUYKQ-VHSXEESVSA-N 1 0 375.288 1.755 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)cc1F ZINC000440800997 531344837 /nfs/dbraw/zinc/34/48/37/531344837.db2.gz OESXWXZBNZTQMK-GFCCVEGCSA-N 1 0 393.506 1.337 20 0 GDADRO C[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)Oc1cccc(Br)c1 ZINC000266450249 531346586 /nfs/dbraw/zinc/34/65/86/531346586.db2.gz AXAIKQUMADGXJR-HIFRSBDPSA-N 1 0 399.333 1.761 20 0 GDADRO COC(=O)[C@@H]1CN(Cc2cc3c(cc2Br)OCO3)CC[N@H+](C)C1 ZINC000411913798 531346941 /nfs/dbraw/zinc/34/69/41/531346941.db2.gz WXRPMYPWMAFUCW-LBPRGKRZSA-N 1 0 385.258 1.714 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)c(Cl)cc21 ZINC000528409457 531355197 /nfs/dbraw/zinc/35/51/97/531355197.db2.gz LYCAHLRFOXXDSC-CJNGLKHVSA-N 1 0 383.901 1.574 20 0 GDADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000441385687 531358700 /nfs/dbraw/zinc/35/87/00/531358700.db2.gz SLWTWIPYSLSGGP-IUPBHXKESA-N 1 0 375.238 1.442 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000266641084 531359132 /nfs/dbraw/zinc/35/91/32/531359132.db2.gz LSEWVBMYGUAFKE-NSHDSACASA-N 1 0 388.237 1.364 20 0 GDADRO CC[C@H](C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[NH+](CC)CC ZINC000441403007 531359414 /nfs/dbraw/zinc/35/94/14/531359414.db2.gz PLOICMBFYBRNCB-CQSZACIVSA-N 1 0 393.912 1.994 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c(Br)o1 ZINC000292493105 531359736 /nfs/dbraw/zinc/35/97/36/531359736.db2.gz CQOQAKJIUPGTSM-QMMMGPOBSA-N 1 0 383.264 1.305 20 0 GDADRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC1 ZINC000411973830 531353773 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C[NH+](C)CCN1C[C@H](C(=O)NCc2nc3cc(Cl)ccc3s2)CC1=O ZINC000266902992 531376488 /nfs/dbraw/zinc/37/64/88/531376488.db2.gz ZSBBSLRIARUUMH-LLVKDONJSA-N 1 0 380.901 1.976 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000528568224 531369232 /nfs/dbraw/zinc/36/92/32/531369232.db2.gz JCORYTHFHGCOON-NSHDSACASA-N 1 0 377.869 1.168 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccnn1Cc1ccccc1Br ZINC000528685664 531371035 /nfs/dbraw/zinc/37/10/35/531371035.db2.gz CVRZJDHXALTIAA-CYBMUJFWSA-N 1 0 394.273 1.804 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC3([S@@](C)=O)CC3)CC2)cc1 ZINC000442817976 531376557 /nfs/dbraw/zinc/37/65/57/531376557.db2.gz FWEVYTVRLGTWMF-XMMPIXPASA-N 1 0 386.539 1.349 20 0 GDADRO C[C@@H](CNC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)[NH+](C)C ZINC000292697086 531371895 /nfs/dbraw/zinc/37/18/95/531371895.db2.gz AHTHYWFZQRVOGY-LBPRGKRZSA-N 1 0 381.523 1.822 20 0 GDADRO CN(CCCN(C)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)CC[NH+](C)C ZINC000292850970 531384575 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CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(C)c2I)C1 ZINC000293144856 531404215 /nfs/dbraw/zinc/40/42/15/531404215.db2.gz KJCGFNJDCSBRJW-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000267158215 531404763 /nfs/dbraw/zinc/40/47/63/531404763.db2.gz YLBYFJJVSBUJFV-QGZVFWFLSA-N 1 0 385.555 1.460 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(I)cnn2C)[C@H](C)C1 ZINC000293165015 531404974 /nfs/dbraw/zinc/40/49/74/531404974.db2.gz LUCIWRFOWSPWAX-PWSUYJOCSA-N 1 0 390.269 1.827 20 0 GDADRO COc1cc(C[NH2+]C[C@]2(N(C)C)CCSC2)cc(Cl)c1OCC(N)=O ZINC000531121540 531405410 /nfs/dbraw/zinc/40/54/10/531405410.db2.gz DZMAQRNCKPBOPL-QGZVFWFLSA-N 1 0 387.933 1.740 20 0 GDADRO C[C@@H](CO)[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)CC1CCC1 ZINC000483146390 531408507 /nfs/dbraw/zinc/40/85/07/531408507.db2.gz RXALAXVDQFKSAM-NSHDSACASA-N 1 0 389.905 1.409 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cccc(S(N)(=O)=O)c2C)C[C@H]1[NH+]1CCCC1 ZINC000483389742 531411876 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GDADRO Cc1c(Cl)c(C(=O)NC[C@H](C)C[NH+]2CCCC2)sc1S(N)(=O)=O ZINC000279275152 531423345 /nfs/dbraw/zinc/42/33/45/531423345.db2.gz WXNJXRAPHLCSDI-VIFPVBQESA-N 1 0 379.935 1.819 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000279264890 531423353 /nfs/dbraw/zinc/42/33/53/531423353.db2.gz XYNHYLXGKYURIJ-NSHDSACASA-N 1 0 384.274 1.875 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000414109290 531431263 /nfs/dbraw/zinc/43/12/63/531431263.db2.gz KOGWYTTUKSEGMY-GFCCVEGCSA-N 1 0 394.269 1.653 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c(C)cc1F ZINC000293548109 531428207 /nfs/dbraw/zinc/42/82/07/531428207.db2.gz VDUSAPHTRIVJPI-INIZCTEOSA-N 1 0 390.502 1.636 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293564539 531429156 /nfs/dbraw/zinc/42/91/56/531429156.db2.gz XQZHFUBMMRPRHQ-UKRRQHHQSA-N 1 0 380.286 1.779 20 0 GDADRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447816940 531436740 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NS(=O)(=O)c1ccc(OCC[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000360635254 531442641 /nfs/dbraw/zinc/44/26/41/531442641.db2.gz GDRYMEFHGZZJED-UHFFFAOYSA-N 1 0 384.889 1.900 20 0 GDADRO CC[NH+](CC)CCS[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000267683578 531444556 /nfs/dbraw/zinc/44/45/56/531444556.db2.gz MUINUOKTZAFOGQ-KBPBESRZSA-N 1 0 387.571 1.975 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000486071954 531445365 /nfs/dbraw/zinc/44/53/65/531445365.db2.gz UOMMNBDVOPUQDR-WFASDCNBSA-N 1 0 382.302 1.883 20 0 GDADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414377933 531445426 /nfs/dbraw/zinc/44/54/26/531445426.db2.gz KJNXTFPFCYRVKN-YGRLFVJLSA-N 1 0 388.331 1.669 20 0 GDADRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)sc1S(N)(=O)=O ZINC000448431953 531454596 /nfs/dbraw/zinc/45/45/96/531454596.db2.gz JWNAGAPOBGHUEJ-LBPRGKRZSA-N 1 0 389.543 1.502 20 0 GDADRO Cc1cccc(F)c1S(=O)(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000414463523 531455230 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C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280132242 531474449 /nfs/dbraw/zinc/47/44/49/531474449.db2.gz PCBSYOXJYCJFKX-QWRGUYRKSA-N 1 0 396.340 1.748 20 0 GDADRO CSc1ccc(C[NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000363181851 531474888 /nfs/dbraw/zinc/47/48/88/531474888.db2.gz JJKLHZUWUCHJII-UHFFFAOYSA-N 1 0 385.555 1.540 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C(F)(F)F ZINC000449725303 531475112 /nfs/dbraw/zinc/47/51/12/531475112.db2.gz UZIYYMUJCRIIOG-ZCFIWIBFSA-N 1 0 379.813 1.076 20 0 GDADRO C[C@H]1Cc2cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)ccc2N1S(C)(=O)=O ZINC000449722821 531475409 /nfs/dbraw/zinc/47/54/09/531475409.db2.gz QGRRRDYPMDEJKX-ZANVPECISA-N 1 0 379.404 1.407 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ncsc2C(F)(F)F)CC1 ZINC000280141736 531475626 /nfs/dbraw/zinc/47/56/26/531475626.db2.gz AFIWNCJUAAHWST-UHFFFAOYSA-N 1 0 378.420 1.788 20 0 GDADRO C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)nc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362398471 531460480 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COCCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000415361196 531479231 /nfs/dbraw/zinc/47/92/31/531479231.db2.gz ZDSLFNQHKVUUCY-JTQLQIEISA-N 1 0 390.267 1.764 20 0 GDADRO O=C(NC[C@H]1C[NH2+]C[C@H]1O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415360734 531479349 /nfs/dbraw/zinc/47/93/49/531479349.db2.gz YDSQJCHIBZKFEV-QMTHXVAHSA-N 1 0 380.246 1.337 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415372359 531480425 /nfs/dbraw/zinc/48/04/25/531480425.db2.gz GLTITMBYRCHASM-GFCCVEGCSA-N 1 0 377.242 1.804 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415383767 531481432 /nfs/dbraw/zinc/48/14/32/531481432.db2.gz XZGZKCYBYYJFJP-VIFPVBQESA-N 1 0 376.201 1.876 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415386069 531481543 /nfs/dbraw/zinc/48/15/43/531481543.db2.gz WITDDUKAAAADLU-ZDUSSCGKSA-N 1 0 395.301 1.856 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000415386888 531481728 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CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000488436871 531486116 /nfs/dbraw/zinc/48/61/16/531486116.db2.gz BLXDFWGCEQMVGD-GJZGRUSLSA-N 1 0 376.567 1.418 20 0 GDADRO CS(=O)(=O)CC1CCC([NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000294588016 531486122 /nfs/dbraw/zinc/48/61/22/531486122.db2.gz CRDUNGZTWMVCEZ-UHFFFAOYSA-N 1 0 380.557 1.219 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000363486272 531486523 /nfs/dbraw/zinc/48/65/23/531486523.db2.gz UFZBMINQFLOIRE-MRXNPFEDSA-N 1 0 394.313 1.932 20 0 GDADRO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000488436873 531486710 /nfs/dbraw/zinc/48/67/10/531486710.db2.gz BLXDFWGCEQMVGD-LSDHHAIUSA-N 1 0 376.567 1.418 20 0 GDADRO C[NH+](C)CC1(CNS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CCCC1 ZINC000544724714 531486884 /nfs/dbraw/zinc/48/68/84/531486884.db2.gz CZLFPMAPINYFDN-UHFFFAOYSA-N 1 0 386.539 1.417 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000415450674 531487022 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C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415543375 531492529 /nfs/dbraw/zinc/49/25/29/531492529.db2.gz CVAOVFAPPNGNPG-UHFFFAOYSA-N 1 0 395.628 1.561 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415539488 531492834 /nfs/dbraw/zinc/49/28/34/531492834.db2.gz MBNZNHYXHZJBDJ-UHFFFAOYSA-N 1 0 395.257 1.288 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415545090 531492910 /nfs/dbraw/zinc/49/29/10/531492910.db2.gz ITQPTUKAMQOIOU-UHFFFAOYSA-N 1 0 395.628 1.561 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CCSC1 ZINC000268306312 531493154 /nfs/dbraw/zinc/49/31/54/531493154.db2.gz BTNINUDQLQONNY-MRXNPFEDSA-N 1 0 389.518 1.929 20 0 GDADRO CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000581702353 531510655 /nfs/dbraw/zinc/51/06/55/531510655.db2.gz XAQIXHILLLBJMP-JKSUJKDBSA-N 1 0 377.576 1.134 20 0 GDADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]CCc2c(Cl)cccc2Cl)C1 ZINC000294978201 531511618 /nfs/dbraw/zinc/51/16/18/531511618.db2.gz PAYSVCPZIBXRQJ-CVEARBPZSA-N 1 0 393.336 1.623 20 0 GDADRO C[NH+](C)CC1(C(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000635839641 531513930 /nfs/dbraw/zinc/51/39/30/531513930.db2.gz GJSKCTUKBQSTHG-UHFFFAOYSA-N 1 0 377.436 1.937 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000415682210 531513949 /nfs/dbraw/zinc/51/39/49/531513949.db2.gz UZKHIYBNRGPCHD-GFCCVEGCSA-N 1 0 380.286 1.926 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000658540071 531514416 /nfs/dbraw/zinc/51/44/16/531514416.db2.gz ORQPOCFWAMFZGC-UHFFFAOYSA-N 1 0 384.249 1.497 20 0 GDADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450846733 531515009 /nfs/dbraw/zinc/51/50/09/531515009.db2.gz OYYSBIFOIYTRKU-MSOLQXFVSA-N 1 0 375.579 1.622 20 0 GDADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489910800 531514935 /nfs/dbraw/zinc/51/49/35/531514935.db2.gz YHIBMPZDIRMSOT-IUODEOHRSA-N 1 0 385.281 1.094 20 0 GDADRO COC(=O)c1cc(NC(=O)N2CCO[C@H](C[NH3+])C2)c(C)cc1Br ZINC000415701591 531515049 /nfs/dbraw/zinc/51/50/49/531515049.db2.gz BWPTXXUDAOCPNI-SNVBAGLBSA-N 1 0 386.246 1.736 20 0 GDADRO COc1cc([C@@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)ccc1S(C)(=O)=O ZINC000489887276 531515075 /nfs/dbraw/zinc/51/50/75/531515075.db2.gz VJVPDGCKOIQHQR-OCCSQVGLSA-N 1 0 388.555 1.959 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2cccc(C)c2Br)CC[NH2+]CC1 ZINC000415700426 531515930 /nfs/dbraw/zinc/51/59/30/531515930.db2.gz CIKPZSKEJLJGQS-UHFFFAOYSA-N 1 0 398.301 1.828 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CCC[NH2+]1 ZINC000415704814 531517217 /nfs/dbraw/zinc/51/72/17/531517217.db2.gz IFMRBWBXLYUUER-KRWDZBQOSA-N 1 0 398.301 1.889 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2c(C)cc(Br)cc2C)CCC[NH2+]1 ZINC000415715964 531518187 /nfs/dbraw/zinc/51/81/87/531518187.db2.gz ZPZYOZQVSYZHIJ-KRWDZBQOSA-N 1 0 398.301 1.889 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c(Br)c1 ZINC000490057135 531518534 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CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCCCC[NH3+] ZINC000415570058 531497414 /nfs/dbraw/zinc/49/74/14/531497414.db2.gz PYNALHUUAWQJJP-UHFFFAOYSA-N 1 0 386.246 1.419 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(c3ncccc3I)CC2)C1 ZINC000610131147 531497933 /nfs/dbraw/zinc/49/79/33/531497933.db2.gz ZUDKWEQAUHLVSR-ZDUSSCGKSA-N 1 0 386.281 1.902 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000635613776 531498466 /nfs/dbraw/zinc/49/84/66/531498466.db2.gz RVMFITIVBGRBOZ-BFHYXJOUSA-N 1 0 382.448 1.544 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cnn(C)c1I ZINC000294838974 531500707 /nfs/dbraw/zinc/50/07/07/531500707.db2.gz WWMJFVMBJMGMDP-SNVBAGLBSA-N 1 0 378.258 1.875 20 0 GDADRO COCCOCC[N@H+](C)CCC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000635667930 531500981 /nfs/dbraw/zinc/50/09/81/531500981.db2.gz ICFQDKMFPFLVNL-UHFFFAOYSA-N 1 0 390.278 1.071 20 0 GDADRO Cn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc(Br)c1=O ZINC000658126884 531501032 /nfs/dbraw/zinc/50/10/32/531501032.db2.gz RMZVEESVUZHSBY-NSHDSACASA-N 1 0 399.289 1.075 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000268489335 531519801 /nfs/dbraw/zinc/51/98/01/531519801.db2.gz PTKHWOXZRWQRCF-UHFFFAOYSA-N 1 0 397.317 1.484 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](CCO)CCCO ZINC000294850295 531502002 /nfs/dbraw/zinc/50/20/02/531502002.db2.gz OUNQUCDPDMLAPC-LBPRGKRZSA-N 1 0 389.290 1.139 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415613439 531502480 /nfs/dbraw/zinc/50/24/80/531502480.db2.gz AHADXZDTSPYISA-HQJQHLMTSA-N 1 0 376.201 1.780 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415608773 531502816 /nfs/dbraw/zinc/50/28/16/531502816.db2.gz UWOAUPHGLDCVHE-QGZVFWFLSA-N 1 0 396.285 1.917 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CCO1 ZINC000415612246 531502984 /nfs/dbraw/zinc/50/29/84/531502984.db2.gz YNBLCOLBRFEWHJ-MRVPVSSYSA-N 1 0 394.628 1.366 20 0 GDADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1Br ZINC000415612793 531502995 /nfs/dbraw/zinc/50/29/95/531502995.db2.gz ZNDVZOIHEDMVSA-SNVBAGLBSA-N 1 0 390.665 1.536 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000581608436 531503062 /nfs/dbraw/zinc/50/30/62/531503062.db2.gz FMOFUEYJSKOJRC-QMMMGPOBSA-N 1 0 398.710 1.186 20 0 GDADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415607187 531503116 /nfs/dbraw/zinc/50/31/16/531503116.db2.gz QLFHSCMDNZAVHG-LBPRGKRZSA-N 1 0 384.274 1.697 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000415618017 531505262 /nfs/dbraw/zinc/50/52/62/531505262.db2.gz QZEKXOMVRWJNPV-GWCFXTLKSA-N 1 0 384.274 1.901 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc2nccnc2c1Br ZINC000415624709 531505289 /nfs/dbraw/zinc/50/52/89/531505289.db2.gz MMCYFWMJYSGHAU-SNVBAGLBSA-N 1 0 392.257 1.589 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415647658 531506223 /nfs/dbraw/zinc/50/62/23/531506223.db2.gz FQTNNWRQGXVZHZ-UFBFGSQYSA-N 1 0 388.251 1.833 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000557011106 531506472 /nfs/dbraw/zinc/50/64/72/531506472.db2.gz BETADGXFSUBKFI-RKDXNWHRSA-N 1 0 376.404 1.692 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415645355 531507061 /nfs/dbraw/zinc/50/70/61/531507061.db2.gz LNGZVPHAAMAZNO-CHWSQXEVSA-N 1 0 397.317 1.835 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)Cc2cccc(I)c2)CC1 ZINC000268409589 531507705 /nfs/dbraw/zinc/50/77/05/531507705.db2.gz HDSWMDOCVQSEGL-UHFFFAOYSA-N 1 0 388.249 1.407 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000415658077 531508615 /nfs/dbraw/zinc/50/86/15/531508615.db2.gz UZVUBUIMIGEOJM-NXEZZACHSA-N 1 0 398.257 1.560 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)NCCN(C)CCC[NH+](C)C ZINC000658427577 531508775 /nfs/dbraw/zinc/50/87/75/531508775.db2.gz NXBMPYPSTRIYBO-UHFFFAOYSA-N 1 0 399.333 1.696 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[NH2+]1 ZINC000415649556 531509043 /nfs/dbraw/zinc/50/90/43/531509043.db2.gz ANLUVCBXNKMCNO-YUMQZZPRSA-N 1 0 376.201 1.923 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000280534683 531509527 /nfs/dbraw/zinc/50/95/27/531509527.db2.gz HEGWHKOFEGIQAC-AWEZNQCLSA-N 1 0 389.543 1.088 20 0 GDADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415725995 531520452 /nfs/dbraw/zinc/52/04/52/531520452.db2.gz NYLCGQJRHHDGSV-LBPRGKRZSA-N 1 0 399.264 1.033 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000635895256 531521286 /nfs/dbraw/zinc/52/12/86/531521286.db2.gz MLKYFGVGBQRDKF-GFCCVEGCSA-N 1 0 383.290 1.961 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1I)[C@H](C)[NH3+] ZINC000415796689 531532564 /nfs/dbraw/zinc/53/25/64/531532564.db2.gz XQGHCDBTOVGDKS-NKWVEPMBSA-N 1 0 379.173 1.221 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415744547 531523672 /nfs/dbraw/zinc/52/36/72/531523672.db2.gz LJCCYXSQFIEJIC-QWRGUYRKSA-N 1 0 382.258 1.464 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415744548 531524198 /nfs/dbraw/zinc/52/41/98/531524198.db2.gz LJCCYXSQFIEJIC-WDEREUQCSA-N 1 0 382.258 1.464 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415750137 531524309 /nfs/dbraw/zinc/52/43/09/531524309.db2.gz STRLYBKYOOSBDO-NWDGAFQWSA-N 1 0 396.285 1.773 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)Cc1ccccc1Br ZINC000557824334 531524981 /nfs/dbraw/zinc/52/49/81/531524981.db2.gz SQZYMMDPWHFYOU-UHFFFAOYSA-N 1 0 379.320 1.837 20 0 GDADRO CC[NH2+]CCNS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000582002650 531526574 /nfs/dbraw/zinc/52/65/74/531526574.db2.gz XJNREYXGLDWGTK-UHFFFAOYSA-N 1 0 398.312 1.348 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC[NH2+]1 ZINC000582004145 531527206 /nfs/dbraw/zinc/52/72/06/531527206.db2.gz GMDHMMAHKFLFIG-MNOVXSKESA-N 1 0 379.404 1.240 20 0 GDADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cccc(I)c1 ZINC000415765679 531527265 /nfs/dbraw/zinc/52/72/65/531527265.db2.gz URMBKBQXCWDOSJ-UHFFFAOYSA-N 1 0 389.237 1.863 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582004604 531527556 /nfs/dbraw/zinc/52/75/56/531527556.db2.gz WTWFBWBKFZPQJB-GUYCJALGSA-N 1 0 385.917 1.609 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)cc(OC)c2)C1 ZINC000658779443 531530075 /nfs/dbraw/zinc/53/00/75/531530075.db2.gz UTKXEEUKMOYAPU-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415790798 531531617 /nfs/dbraw/zinc/53/16/17/531531617.db2.gz RTXHEIORJZOPLA-ZDUSSCGKSA-N 1 0 394.273 1.486 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC2CC[NH+](C)CC2)c1OC ZINC000551445586 531537341 /nfs/dbraw/zinc/53/73/41/531537341.db2.gz NZEVMGMAOBIDAW-UHFFFAOYSA-N 1 0 376.862 1.508 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c2cc(Br)ccc21 ZINC000659077704 531538249 /nfs/dbraw/zinc/53/82/49/531538249.db2.gz IXTPGCZKSLXZTO-LBPRGKRZSA-N 1 0 380.286 1.942 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)[C@@H](C)C[NH2+]1 ZINC000659083116 531538603 /nfs/dbraw/zinc/53/86/03/531538603.db2.gz VDAPQYNWEWLDGB-SFYZADRCSA-N 1 0 376.201 1.875 20 0 GDADRO COc1cc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)c(Cl)cc1Br ZINC000659087110 531539703 /nfs/dbraw/zinc/53/97/03/531539703.db2.gz OHCZBWZZXXYROR-UHFFFAOYSA-N 1 0 390.665 1.998 20 0 GDADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415838045 531540229 /nfs/dbraw/zinc/54/02/29/531540229.db2.gz RAHJBFSBPQQQHQ-SECBINFHSA-N 1 0 376.240 1.435 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415849239 531543102 /nfs/dbraw/zinc/54/31/02/531543102.db2.gz YVPJPRPJNUXBFX-ZJUUUORDSA-N 1 0 381.889 1.984 20 0 GDADRO COc1ccc(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1Br ZINC000364176047 531543294 /nfs/dbraw/zinc/54/32/94/531543294.db2.gz OHYZNZOQRGAGIG-YHWZYXNKSA-N 1 0 381.270 1.889 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000415852807 531543430 /nfs/dbraw/zinc/54/34/30/531543430.db2.gz RRSRXJNHSCIOQR-MNOVXSKESA-N 1 0 384.274 1.840 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415868881 531545925 /nfs/dbraw/zinc/54/59/25/531545925.db2.gz MLPAERUIMCWGHY-VXGBXAGGSA-N 1 0 396.285 1.773 20 0 GDADRO COc1ccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1Br ZINC000582252818 531546156 /nfs/dbraw/zinc/54/61/56/531546156.db2.gz SQRJVXZHEFJTMD-JQWIXIFHSA-N 1 0 383.246 1.233 20 0 GDADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415863476 531546543 /nfs/dbraw/zinc/54/65/43/531546543.db2.gz XNGFPHGAVGCCOV-VXGBXAGGSA-N 1 0 381.274 1.631 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCCc2cccc(Br)c2)n1 ZINC000659453117 531547392 /nfs/dbraw/zinc/54/73/92/531547392.db2.gz UZKZSGNELYNGGY-UHFFFAOYSA-N 1 0 394.273 1.835 20 0 GDADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415870588 531547860 /nfs/dbraw/zinc/54/78/60/531547860.db2.gz PDBUNJQKAPZMAL-MRVPVSSYSA-N 1 0 376.201 1.924 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)n1 ZINC000659461978 531547883 /nfs/dbraw/zinc/54/78/83/531547883.db2.gz QGPAQEQTEBDEDU-SNVBAGLBSA-N 1 0 384.223 1.881 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000612303953 531547951 /nfs/dbraw/zinc/54/79/51/531547951.db2.gz KMNQYJHGESHNHK-QMTHXVAHSA-N 1 0 391.273 1.637 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCOc2ccc(Cl)c(Cl)c2)n1 ZINC000659498347 531548372 /nfs/dbraw/zinc/54/83/72/531548372.db2.gz KSEYJQXKQDZDOF-UHFFFAOYSA-N 1 0 386.239 1.826 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000659448017 531548422 /nfs/dbraw/zinc/54/84/22/531548422.db2.gz JGDGZBWEPKZVPP-UHFFFAOYSA-N 1 0 385.306 1.948 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659486105 531548514 /nfs/dbraw/zinc/54/85/14/531548514.db2.gz RMAAHERFIRFALU-UHFFFAOYSA-N 1 0 380.246 1.711 20 0 GDADRO COc1cc(Br)c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000491184838 531549469 /nfs/dbraw/zinc/54/94/69/531549469.db2.gz XUMVDUQFUQHSAZ-CYBMUJFWSA-N 1 0 384.318 1.946 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000558139980 531549568 /nfs/dbraw/zinc/54/95/68/531549568.db2.gz HSTRWJMESMURCX-UHFFFAOYSA-N 1 0 377.819 1.968 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N(CCO)CC(F)F)c1ccc(Cl)cc1 ZINC000558168756 531550435 /nfs/dbraw/zinc/55/04/35/531550435.db2.gz SXPRMBNTNMGEPL-ZDUSSCGKSA-N 1 0 377.819 1.145 20 0 GDADRO NC(=O)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)Cc1ccccc1Cl ZINC000416002255 531551397 /nfs/dbraw/zinc/55/13/97/531551397.db2.gz DLGKAQFKXASHTM-ZYHUDNBSSA-N 1 0 380.798 1.563 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000659686177 531552051 /nfs/dbraw/zinc/55/20/51/531552051.db2.gz WOMAZJIGXBIQIE-OLZOCXBDSA-N 1 0 397.317 1.116 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000659684656 531552360 /nfs/dbraw/zinc/55/23/60/531552360.db2.gz KPICRYIEZOAVMT-UHFFFAOYSA-N 1 0 386.677 1.668 20 0 GDADRO Cc1c(Br)cncc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000612521592 531552339 /nfs/dbraw/zinc/55/23/39/531552339.db2.gz ABJWRQAEZCGYFR-HNNXBMFYSA-N 1 0 395.301 1.531 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000659686175 531552776 /nfs/dbraw/zinc/55/27/76/531552776.db2.gz WOMAZJIGXBIQIE-CHWSQXEVSA-N 1 0 397.317 1.116 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000659689919 531552983 /nfs/dbraw/zinc/55/29/83/531552983.db2.gz JILKRHXRCNYPHP-ZDUSSCGKSA-N 1 0 397.317 1.340 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(F)c(Br)cc1C(=O)OC ZINC000415795514 531533091 /nfs/dbraw/zinc/53/30/91/531533091.db2.gz XUBWKAYZQQRWHA-SSDOTTSWSA-N 1 0 390.209 1.167 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCCCN1S(C)(=O)=O)C(C)(C)C ZINC000557868491 531534882 /nfs/dbraw/zinc/53/48/82/531534882.db2.gz PREUUJNWIPCQRG-CABCVRRESA-N 1 0 376.567 1.466 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1)[C@H](C)[NH3+] ZINC000415816231 531535252 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O=C(NC(CCC(F)(F)F)CCC(F)(F)F)C(=O)N1CCC[NH2+]CC1 ZINC000659739395 531559331 /nfs/dbraw/zinc/55/93/31/531559331.db2.gz SOPHBHHQZXDSCZ-UHFFFAOYSA-N 1 0 377.329 1.978 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000659739402 531559448 /nfs/dbraw/zinc/55/94/48/531559448.db2.gz SYPUXTBTMMQXDM-VIFPVBQESA-N 1 0 377.329 1.977 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)NCCCCn1cc(Br)cn1 ZINC000280943706 531560730 /nfs/dbraw/zinc/56/07/30/531560730.db2.gz WVEWSFYIOHAEIB-UHFFFAOYSA-N 1 0 390.326 1.693 20 0 GDADRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1I ZINC000268770929 531568025 /nfs/dbraw/zinc/56/80/25/531568025.db2.gz SPJQMMZUPNHHOB-JTQLQIEISA-N 1 0 382.267 1.881 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)NCCN1CCC(O)CC1 ZINC000295335380 531561974 /nfs/dbraw/zinc/56/19/74/531561974.db2.gz NCTVXPFFCICRCT-UHFFFAOYSA-N 1 0 377.304 1.493 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC[C@@H]1Sc2ccccc2NC1=O ZINC000659837563 531562826 /nfs/dbraw/zinc/56/28/26/531562826.db2.gz JNWPAZYFAZXTEE-CJNGLKHVSA-N 1 0 383.539 1.893 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3nn(C)cc3Br)CC2)CC1 ZINC000492219348 531564689 /nfs/dbraw/zinc/56/46/89/531564689.db2.gz GDPHPXKOMSUBBT-UHFFFAOYSA-N 1 0 398.349 1.813 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000583142933 531565950 /nfs/dbraw/zinc/56/59/50/531565950.db2.gz OLCDCBMAEFVKLT-IUODEOHRSA-N 1 0 385.555 1.652 20 0 GDADRO Cc1c(Cl)c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)sc1S(N)(=O)=O ZINC000281002645 531565941 /nfs/dbraw/zinc/56/59/41/531565941.db2.gz RKYXBRSSOFOISK-SECBINFHSA-N 1 0 377.919 1.571 20 0 GDADRO C[C@@H](CNC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000281021810 531567585 /nfs/dbraw/zinc/56/75/85/531567585.db2.gz XSMLVQALVHVLHW-HZMBPMFUSA-N 1 0 383.290 1.757 20 0 GDADRO C[C@@H](CNC(=O)Cn1cnc2ccc(Br)cc2c1=O)C[NH+](C)C ZINC000552240358 531554054 /nfs/dbraw/zinc/55/40/54/531554054.db2.gz SHTCBYCVXXGSIY-NSHDSACASA-N 1 0 381.274 1.473 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000451226737 531569365 /nfs/dbraw/zinc/56/93/65/531569365.db2.gz KDSQQPWUMNRRPS-ZDUSSCGKSA-N 1 0 378.897 1.991 20 0 GDADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)C[C@H]3CCCC3(F)F)CC2)c1 ZINC000295378412 531569432 /nfs/dbraw/zinc/56/94/32/531569432.db2.gz AKOJZCMYRLSEJR-CYBMUJFWSA-N 1 0 375.441 1.977 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC000416205723 531569826 /nfs/dbraw/zinc/56/98/26/531569826.db2.gz UEKKQEFEQJBEHL-UHFFFAOYSA-N 1 0 385.302 1.920 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000451226736 531569934 /nfs/dbraw/zinc/56/99/34/531569934.db2.gz KDSQQPWUMNRRPS-CYBMUJFWSA-N 1 0 378.897 1.991 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000613602082 531570008 /nfs/dbraw/zinc/57/00/08/531570008.db2.gz WKCSJNCFFVMECY-UHFFFAOYSA-N 1 0 379.262 1.591 20 0 GDADRO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000451231031 531570917 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CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000583485514 531578395 /nfs/dbraw/zinc/57/83/95/531578395.db2.gz DTMRXSFWSQPBPA-QLFBSQMISA-N 1 0 386.539 1.489 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000583500009 531579693 /nfs/dbraw/zinc/57/96/93/531579693.db2.gz ITXJGTQPEDPSIF-BXUZGUMPSA-N 1 0 389.315 1.951 20 0 GDADRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268863024 531579363 /nfs/dbraw/zinc/57/93/63/531579363.db2.gz ZFDFASJHZMBLCM-NSHDSACASA-N 1 0 376.425 1.616 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1OC ZINC000583500284 531580009 /nfs/dbraw/zinc/58/00/09/531580009.db2.gz RZFSTKDCBFMMTB-CABZTGNLSA-N 1 0 376.862 1.412 20 0 GDADRO C[N@H+](C[C@@H](O)CN1CCNC(=O)[C@H]1c1ccccc1Br)C1CC1 ZINC000554934833 531581537 /nfs/dbraw/zinc/58/15/37/531581537.db2.gz IYZGNFRHLNXVIZ-CZUORRHYSA-N 1 0 382.302 1.377 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000493908539 531583238 /nfs/dbraw/zinc/58/32/38/531583238.db2.gz SFHDRLDBPGQDPH-QWRGUYRKSA-N 1 0 384.274 1.380 20 0 GDADRO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000451283585 531583700 /nfs/dbraw/zinc/58/37/00/531583700.db2.gz NSAXTQCIVSRTRO-OLZOCXBDSA-N 1 0 388.452 1.864 20 0 GDADRO O=C(CN1C(=S)N=NC1c1cccs1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295515827 531589957 /nfs/dbraw/zinc/58/99/57/531589957.db2.gz QHTGDBLOROJNEF-GFCCVEGCSA-N 1 0 381.527 1.258 20 0 GDADRO Cn1nnnc1CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637009411 531594620 /nfs/dbraw/zinc/59/46/20/531594620.db2.gz HFXYIWNNKLQSFH-CYBMUJFWSA-N 1 0 386.287 1.662 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)NC[C@H]1CCCC[NH2+]1 ZINC000637015181 531594442 /nfs/dbraw/zinc/59/44/42/531594442.db2.gz MDGVGUYFMHFVFU-CHWSQXEVSA-N 1 0 386.290 1.630 20 0 GDADRO CNC(=O)C[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000583807982 531596140 /nfs/dbraw/zinc/59/61/40/531596140.db2.gz LZPKNKIXGRONTR-KOLCDFICSA-N 1 0 379.682 1.956 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000268990000 531597031 /nfs/dbraw/zinc/59/70/31/531597031.db2.gz VRLUZAHIEJXJMJ-SJORKVTESA-N 1 0 386.539 1.522 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295571465 531598695 /nfs/dbraw/zinc/59/86/95/531598695.db2.gz VDJVJEARCBLFLS-OAHLLOKOSA-N 1 0 398.301 1.142 20 0 GDADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]CCSc2ccc(F)cc2F)C1 ZINC000660074368 531600437 /nfs/dbraw/zinc/60/04/37/531600437.db2.gz NKQXFZIBTKJIKI-CABCVRRESA-N 1 0 392.493 1.144 20 0 GDADRO CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000269035923 531601832 /nfs/dbraw/zinc/60/18/32/531601832.db2.gz KMYJXHOJWDITLT-LBPRGKRZSA-N 1 0 380.297 1.564 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(Cl)c(OC)c2)CC1 ZINC000416408752 531604894 /nfs/dbraw/zinc/60/48/94/531604894.db2.gz RQFXXCJHSSVZEI-CQSZACIVSA-N 1 0 389.949 1.901 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)C(=O)N1CCC[C@H]1CO)c1ccc(Cl)c(Cl)c1 ZINC000637119374 531605508 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CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c1OC ZINC000584351038 531614496 /nfs/dbraw/zinc/61/44/96/531614496.db2.gz NGQJBTVLJQKHGD-LBPRGKRZSA-N 1 0 389.905 1.600 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)s1 ZINC000660243351 531617685 /nfs/dbraw/zinc/61/76/85/531617685.db2.gz YEODIKYROQJKNM-LBPRGKRZSA-N 1 0 386.543 1.602 20 0 GDADRO CC(C)(C)n1cc(Br)c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)n1 ZINC000615481138 531617979 /nfs/dbraw/zinc/61/79/79/531617979.db2.gz XNUWFJZAUATHPD-GFCCVEGCSA-N 1 0 387.322 1.977 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637255740 531616743 /nfs/dbraw/zinc/61/67/43/531616743.db2.gz JPVGEOCIHKBTLY-HNNXBMFYSA-N 1 0 397.317 1.897 20 0 GDADRO C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC[C@H]1[NH3+] ZINC000269209641 531622944 /nfs/dbraw/zinc/62/29/44/531622944.db2.gz NEXZQFXCWFMPFD-NWDGAFQWSA-N 1 0 389.568 1.295 20 0 GDADRO COC(=O)C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000269232919 531627362 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O=C(Cc1cc[nH]c(=O)c1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000365668991 531669597 /nfs/dbraw/zinc/66/95/97/531669597.db2.gz FUCPEKLJVSLAEA-CYBMUJFWSA-N 1 0 384.274 1.462 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C[C@H]1C[NH3+] ZINC000638887962 531670083 /nfs/dbraw/zinc/67/00/83/531670083.db2.gz FYQVLRSJKDKLDN-JHJVBQTASA-N 1 0 380.286 1.855 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000269340288 531648898 /nfs/dbraw/zinc/64/88/98/531648898.db2.gz FXUWRNGENMHASP-TZMCWYRMSA-N 1 0 386.543 1.151 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)COc2ccccc2Br)CC1(C)C ZINC000281695812 531648990 /nfs/dbraw/zinc/64/89/90/531648990.db2.gz GKZPYJDYRMMKKK-UHFFFAOYSA-N 1 0 384.318 1.970 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)c1OC ZINC000416498881 531649856 /nfs/dbraw/zinc/64/98/56/531649856.db2.gz YZGHXFUEDFYRQN-SNVBAGLBSA-N 1 0 376.862 1.365 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000416497093 531649908 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C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)c1ccc(Br)cc1 ZINC000560668617 531660205 /nfs/dbraw/zinc/66/02/05/531660205.db2.gz RDXGPPFBSZUDDO-LBPRGKRZSA-N 1 0 386.290 1.321 20 0 GDADRO C[C@@H]1CN(CC(=O)N(C)Cc2ccccc2Br)C[C@H](C)[N@H+]1CCO ZINC000451670722 531660547 /nfs/dbraw/zinc/66/05/47/531660547.db2.gz XKRRSIWJYGNPON-GASCZTMLSA-N 1 0 398.345 1.794 20 0 GDADRO Cc1csc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1I ZINC000588867363 531660559 /nfs/dbraw/zinc/66/05/59/531660559.db2.gz SGBXKSSQARJBLU-JTQLQIEISA-N 1 0 394.278 1.848 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000638619499 531661896 /nfs/dbraw/zinc/66/18/96/531661896.db2.gz GIABXPXAFKKBSH-LSDHHAIUSA-N 1 0 386.279 1.703 20 0 GDADRO OCC1(CO)CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000661950677 531662780 /nfs/dbraw/zinc/66/27/80/531662780.db2.gz MVOARFXCHKLQIT-ZDUSSCGKSA-N 1 0 378.238 1.005 20 0 GDADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638625597 531662915 /nfs/dbraw/zinc/66/29/15/531662915.db2.gz RAJCPUGTTXBQQX-SWLSCSKDSA-N 1 0 398.301 1.308 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2nnc(OC(C)C)s2)C1 ZINC000365588859 531663432 /nfs/dbraw/zinc/66/34/32/531663432.db2.gz YAHHIIIWDGAXRP-CYBMUJFWSA-N 1 0 388.559 1.890 20 0 GDADRO O=S(=O)(Cc1ccc(Br)cc1)NC[C@H]1CCCC[N@H+]1CCO ZINC000451672194 531663453 /nfs/dbraw/zinc/66/34/53/531663453.db2.gz SBQVXZGROGEHRD-OAHLLOKOSA-N 1 0 391.331 1.715 20 0 GDADRO CCN(C(=O)c1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617553727 531663606 /nfs/dbraw/zinc/66/36/06/531663606.db2.gz OXLQCAZPKQDXDU-LLVKDONJSA-N 1 0 390.303 1.263 20 0 GDADRO CN(CCOCC[NH3+])C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638671620 531664041 /nfs/dbraw/zinc/66/40/41/531664041.db2.gz ZRDODWWVQZIVDK-HNNXBMFYSA-N 1 0 398.301 1.374 20 0 GDADRO CN(CC(=O)NCCOCCC[NH3+])C(=O)c1ccc(Br)s1 ZINC000638659489 531664652 /nfs/dbraw/zinc/66/46/52/531664652.db2.gz FVBYFSKNWOILSP-UHFFFAOYSA-N 1 0 378.292 1.064 20 0 GDADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000638903794 531673047 /nfs/dbraw/zinc/67/30/47/531673047.db2.gz UUCHISCEARVTET-RISCZKNCSA-N 1 0 394.273 1.740 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C[C@@H]1C[NH3+] ZINC000638895709 531673252 /nfs/dbraw/zinc/67/32/52/531673252.db2.gz SLLBWCHCGYGSIT-BDAKNGLRSA-N 1 0 393.278 1.659 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638912933 531673770 /nfs/dbraw/zinc/67/37/70/531673770.db2.gz AVJLQXBSYLSSJF-SOUVJXGZSA-N 1 0 378.270 1.626 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(OCC(F)(F)F)nc3)C[C@@H]21 ZINC000365699099 531674165 /nfs/dbraw/zinc/67/41/65/531674165.db2.gz CLDIXJFIBVOLLB-WCFLWFBJSA-N 1 0 379.404 1.771 20 0 GDADRO CC(=O)N[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000638920548 531674188 /nfs/dbraw/zinc/67/41/88/531674188.db2.gz BGWUWTZAEPODTI-OWCLPIDISA-N 1 0 380.286 1.979 20 0 GDADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638920758 531674413 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GDADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662527275 531685561 /nfs/dbraw/zinc/68/55/61/531685561.db2.gz SIEBPQZXGAQEBD-QGZVFWFLSA-N 1 0 397.361 1.839 20 0 GDADRO COCCCS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000365800438 531685781 /nfs/dbraw/zinc/68/57/81/531685781.db2.gz PCOIMOXKWBRROJ-WNRNVDISSA-N 1 0 376.563 1.594 20 0 GDADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000281975232 531686626 /nfs/dbraw/zinc/68/66/26/531686626.db2.gz KGIYBDPTXZNVMX-NSHDSACASA-N 1 0 390.531 1.861 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000590282574 531687443 /nfs/dbraw/zinc/68/74/43/531687443.db2.gz VOEBPTKOKUHMAN-GWCFXTLKSA-N 1 0 399.232 1.392 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000590301016 531687590 /nfs/dbraw/zinc/68/75/90/531687590.db2.gz SBBVPFKSNPNMRQ-LBPRGKRZSA-N 1 0 389.905 1.214 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662551177 531688180 /nfs/dbraw/zinc/68/81/80/531688180.db2.gz AKIBKXCNCXSXOO-JSGCOSHPSA-N 1 0 384.274 1.566 20 0 GDADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000296367687 531688530 /nfs/dbraw/zinc/68/85/30/531688530.db2.gz JCKVBOFETAAYSN-CVEARBPZSA-N 1 0 388.327 1.909 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)s1 ZINC000662579008 531688953 /nfs/dbraw/zinc/68/89/53/531688953.db2.gz JMBAJVFLSMMVTL-HNNXBMFYSA-N 1 0 387.571 1.825 20 0 GDADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662732092 531693907 /nfs/dbraw/zinc/69/39/07/531693907.db2.gz JWUQOWMYAAHRGQ-HUUCEWRRSA-N 1 0 382.302 1.755 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000282041858 531696461 /nfs/dbraw/zinc/69/64/61/531696461.db2.gz XXDJJMVPIRJHDK-UHFFFAOYSA-N 1 0 381.267 1.323 20 0 GDADRO NC(=O)C[C@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000639578534 531696773 /nfs/dbraw/zinc/69/67/73/531696773.db2.gz APMBDIHWLKDBKQ-HOCLYGCPSA-N 1 0 391.295 1.993 20 0 GDADRO C[C@H]1[C@@H](O)CCCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000296489593 531699568 /nfs/dbraw/zinc/69/95/68/531699568.db2.gz YTGAVKCKEDDWOC-FZMZJTMJSA-N 1 0 384.274 1.349 20 0 GDADRO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000662916463 531700286 /nfs/dbraw/zinc/70/02/86/531700286.db2.gz UMJKALMBNMAXJB-WMLDXEAASA-N 1 0 397.317 1.837 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1OC ZINC000503234035 531689579 /nfs/dbraw/zinc/68/95/79/531689579.db2.gz HGCNKSZKOBQWRG-DZGCQCFKSA-N 1 0 388.511 1.148 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000561285649 531689799 /nfs/dbraw/zinc/68/97/99/531689799.db2.gz QUJJDAYBOSBOHZ-HOTGVXAUSA-N 1 0 386.539 1.694 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCN(CCCO)C2)ccc1Cl ZINC000296387887 531690222 /nfs/dbraw/zinc/69/02/22/531690222.db2.gz YRHBABZYFQNVMO-GFCCVEGCSA-N 1 0 390.889 1.252 20 0 GDADRO N[C@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1Br ZINC000662571373 531690210 /nfs/dbraw/zinc/69/02/10/531690210.db2.gz NBRANEIOKTWQEX-KVULBXGLSA-N 1 0 395.345 1.782 20 0 GDADRO COc1cc(Br)c(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1O ZINC000639367385 531690451 /nfs/dbraw/zinc/69/04/51/531690451.db2.gz JJQBVQNVJLWCIC-HZPDHXFCSA-N 1 0 383.242 1.648 20 0 GDADRO COc1cc(Br)c(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c(OC)c1 ZINC000639367425 531690510 /nfs/dbraw/zinc/69/05/10/531690510.db2.gz KBYBJVHZSOFUIM-IAGOWNOFSA-N 1 0 397.269 1.951 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)n1C ZINC000590594313 531692903 /nfs/dbraw/zinc/69/29/03/531692903.db2.gz PMHHWSLIJMCWSS-UHFFFAOYSA-N 1 0 385.511 1.558 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000662961439 531703269 /nfs/dbraw/zinc/70/32/69/531703269.db2.gz RNLJPNRKVNSCMS-VXGBXAGGSA-N 1 0 398.301 1.641 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CC[C@@H]3CC[NH2+][C@H]3C1)C2 ZINC000662993020 531705500 /nfs/dbraw/zinc/70/55/00/531705500.db2.gz KJLHETLDDOUOGO-WFASDCNBSA-N 1 0 392.297 1.810 20 0 GDADRO C[N@H+](CCCN1C(=O)CNC1=O)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639918123 531709096 /nfs/dbraw/zinc/70/90/96/531709096.db2.gz JOGLBRMQYJNGEZ-CYBMUJFWSA-N 1 0 390.267 1.607 20 0 GDADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639948158 531709879 /nfs/dbraw/zinc/70/98/79/531709879.db2.gz AAFPXXRNDBQGGT-FDOKIQAASA-N 1 0 394.269 1.761 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CC[NH+](CC2CC2)CC1 ZINC000620201338 531726429 /nfs/dbraw/zinc/72/64/29/531726429.db2.gz NLUNLENBPKVEIE-UHFFFAOYSA-N 1 0 385.917 1.563 20 0 GDADRO O=C(NCCS(=O)(=O)NC1CC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000504994533 531713194 /nfs/dbraw/zinc/71/31/94/531713194.db2.gz QAEVNPRLOOEFLP-AWEZNQCLSA-N 1 0 386.543 1.266 20 0 GDADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000663489107 531713320 /nfs/dbraw/zinc/71/33/20/531713320.db2.gz LZXFLALSPWRSIS-UHFFFAOYSA-N 1 0 377.242 1.449 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000269696031 531715200 /nfs/dbraw/zinc/71/52/00/531715200.db2.gz LBEVPLHFNFPWIA-JSGCOSHPSA-N 1 0 391.331 1.648 20 0 GDADRO C[C@@H](CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)S(N)(=O)=O ZINC000663619343 531716552 /nfs/dbraw/zinc/71/65/52/531716552.db2.gz RYDOKJKQTYGIAU-SWLSCSKDSA-N 1 0 388.921 1.453 20 0 GDADRO COC(=O)Cc1cc(Br)ccc1S(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000451923548 531717377 /nfs/dbraw/zinc/71/73/77/531717377.db2.gz BSPDPJAACWTPSZ-JTQLQIEISA-N 1 0 393.303 1.393 20 0 GDADRO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1I ZINC000619874154 531720577 /nfs/dbraw/zinc/72/05/77/531720577.db2.gz ZYYMMPHNOQHGOW-CQSZACIVSA-N 1 0 399.276 1.719 20 0 GDADRO CC[C@H]1CN(C(=O)NCc2nn(C)cc2I)CC[C@@H]1[NH3+] ZINC000591358363 531720852 /nfs/dbraw/zinc/72/08/52/531720852.db2.gz LWWUEFQMFMCTJD-ONGXEEELSA-N 1 0 391.257 1.294 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CC([NH+](C)C)C1 ZINC000619879541 531721031 /nfs/dbraw/zinc/72/10/31/531721031.db2.gz AVAOFMMWKWZNOM-ZBCRRDGASA-N 1 0 385.555 1.295 20 0 GDADRO COCCCS(=O)(=O)NCC(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000561733009 531722152 /nfs/dbraw/zinc/72/21/52/531722152.db2.gz ZTVDNARCRIJZHM-UHFFFAOYSA-N 1 0 377.551 1.055 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2nn(C)cc2Br)C1 ZINC000640311101 531737070 /nfs/dbraw/zinc/73/70/70/531737070.db2.gz YZZMTICGTXERCU-GFCCVEGCSA-N 1 0 388.310 2.147 20 0 GDADRO C[C@@H](NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C(C)(C)C[NH+](C)C ZINC000506359747 531737698 /nfs/dbraw/zinc/73/76/98/531737698.db2.gz RQLWUANMIVVGMU-OLZOCXBDSA-N 1 0 391.559 1.158 20 0 GDADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000620915780 531737732 /nfs/dbraw/zinc/73/77/32/531737732.db2.gz OQFWNFRRBRDLCH-GFCCVEGCSA-N 1 0 387.527 1.111 20 0 GDADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000269750597 531739029 /nfs/dbraw/zinc/73/90/29/531739029.db2.gz ZVDCLBBBLUAVAJ-UHFFFAOYSA-N 1 0 389.543 1.187 20 0 GDADRO CCC[NH+](CCC)CCCNC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC000416689164 531739096 /nfs/dbraw/zinc/73/90/96/531739096.db2.gz PHHNTKQZRUQSPT-HOTGVXAUSA-N 1 0 375.535 1.096 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000416837998 531742405 /nfs/dbraw/zinc/74/24/05/531742405.db2.gz YFFGQVMEQJFOOO-GFCCVEGCSA-N 1 0 383.290 1.995 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NCCCCC[NH+]2CCCC2)s1 ZINC000296951576 531742848 /nfs/dbraw/zinc/74/28/48/531742848.db2.gz QHQMOFAKMXOTEA-UHFFFAOYSA-N 1 0 388.559 1.722 20 0 GDADRO COc1c(Br)ccc(F)c1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000640320032 531743097 /nfs/dbraw/zinc/74/30/97/531743097.db2.gz JKDDBRMJTKAZCN-JTQLQIEISA-N 1 0 375.238 1.783 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]2C[NH2+]C)s1 ZINC000416912971 531744465 /nfs/dbraw/zinc/74/44/65/531744465.db2.gz JYZZLHREQBZSPD-ZDUSSCGKSA-N 1 0 388.559 1.672 20 0 GDADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000269769457 531749906 /nfs/dbraw/zinc/74/99/06/531749906.db2.gz MBUFQMDKABGNAZ-UHFFFAOYSA-N 1 0 379.885 1.202 20 0 GDADRO O=C(NCCc1ccc(Br)s1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000416922181 531745686 /nfs/dbraw/zinc/74/56/86/531745686.db2.gz OIQNQSFNJVPJDV-GFCCVEGCSA-N 1 0 387.347 1.742 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000416914368 531746506 /nfs/dbraw/zinc/74/65/06/531746506.db2.gz LTKZOKCLJAKNNJ-GFCCVEGCSA-N 1 0 376.548 1.576 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000297068851 531754102 /nfs/dbraw/zinc/75/41/02/531754102.db2.gz VFWQOALBTXMNEB-UHFFFAOYSA-N 1 0 393.285 1.821 20 0 GDADRO COc1cc(C[N@H+](C)CCOCCO)cc(I)c1OC ZINC000282436105 531754531 /nfs/dbraw/zinc/75/45/31/531754531.db2.gz FNZNHDXTIAMNRM-UHFFFAOYSA-N 1 0 395.237 1.749 20 0 GDADRO COCCOCCS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000269777594 531754741 /nfs/dbraw/zinc/75/47/41/531754741.db2.gz NOLWNDGQQWLLQT-HNNXBMFYSA-N 1 0 376.544 1.543 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(CC(=O)NCC(=O)Nc1ccccc1Br)C2 ZINC000621779203 531756144 /nfs/dbraw/zinc/75/61/44/531756144.db2.gz BJPCBROUQVDFLX-SJKOYZFVSA-N 1 0 395.301 1.317 20 0 GDADRO COC[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCCO1 ZINC000562452695 531756592 /nfs/dbraw/zinc/75/65/92/531756592.db2.gz NWNAXSAZFNKFIQ-ZIAGYGMSSA-N 1 0 382.258 1.741 20 0 GDADRO Cn1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc(Br)c1=O ZINC000666331624 531757474 /nfs/dbraw/zinc/75/74/74/531757474.db2.gz SYFPIOKJSDAGTF-CYBMUJFWSA-N 1 0 399.289 1.211 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCS(=O)(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC000417225961 531759713 /nfs/dbraw/zinc/75/97/13/531759713.db2.gz ZCUGSPUTPMOAHF-APHBMKBZSA-N 1 0 385.917 1.883 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621848549 531761597 /nfs/dbraw/zinc/76/15/97/531761597.db2.gz ASBMPRRVNISSSG-LBPRGKRZSA-N 1 0 390.228 1.607 20 0 GDADRO Cn1cc(Br)c(=O)c(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000666693203 531762350 /nfs/dbraw/zinc/76/23/50/531762350.db2.gz KYKQCTAVQSMDFJ-AWEZNQCLSA-N 1 0 389.319 1.707 20 0 GDADRO O=C(NCc1cn2cc(Br)ccc2n1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417229669 531762530 /nfs/dbraw/zinc/76/25/30/531762530.db2.gz XZMPZCAEGQYQIB-RYUDHWBXSA-N 1 0 378.274 1.848 20 0 GDADRO Cn1ncc(I)c1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000508099604 531762720 /nfs/dbraw/zinc/76/27/20/531762720.db2.gz VJOWASVMJJKPDC-UHFFFAOYSA-N 1 0 390.269 1.877 20 0 GDADRO [NH3+][C@@H](c1cn(CC(=O)Nc2ccccc2Br)nn1)[C@H]1CCCO1 ZINC000640769096 531763294 /nfs/dbraw/zinc/76/32/94/531763294.db2.gz JPPZGENOCJMGPG-HIFRSBDPSA-N 1 0 380.246 1.858 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000269798395 531764157 /nfs/dbraw/zinc/76/41/57/531764157.db2.gz IOYFRTDVSLBVQH-ZUZCIYMTSA-N 1 0 394.273 1.894 20 0 GDADRO C[C@H](COCC(F)(F)F)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417310939 531764557 /nfs/dbraw/zinc/76/45/57/531764557.db2.gz LABMZDXXGPYNPQ-NXEZZACHSA-N 1 0 380.333 1.089 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1OC ZINC000622014787 531764585 /nfs/dbraw/zinc/76/45/85/531764585.db2.gz KMRMYNNZUJXPMV-QLJPJBMISA-N 1 0 387.889 1.210 20 0 GDADRO CO[C@@H]1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000417058918 531751964 /nfs/dbraw/zinc/75/19/64/531751964.db2.gz HECJPKUAGWVWKH-NWDGAFQWSA-N 1 0 376.288 1.948 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC1CC[NH2+]CC1 ZINC000562794412 531780162 /nfs/dbraw/zinc/78/01/62/531780162.db2.gz WGHSIPBBPCTTQB-UHFFFAOYSA-N 1 0 383.290 1.995 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000622416336 531780324 /nfs/dbraw/zinc/78/03/24/531780324.db2.gz LLECHBHOLNCXTK-UHFFFAOYSA-N 1 0 388.921 1.079 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(I)cc2)CO1 ZINC000592363218 531782138 /nfs/dbraw/zinc/78/21/38/531782138.db2.gz SVUGTDAHKMKVSG-RTXFEEFZSA-N 1 0 377.222 1.798 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1-n1cnnn1 ZINC000622783527 531783422 /nfs/dbraw/zinc/78/34/22/531783422.db2.gz WSFSKDAKTKFXOU-ZIAGYGMSSA-N 1 0 391.273 1.781 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417416549 531768063 /nfs/dbraw/zinc/76/80/63/531768063.db2.gz FRXPKLCXWKIAIE-AAEUAGOBSA-N 1 0 383.290 1.558 20 0 GDADRO COC(=O)c1cccc(Br)c1CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000592179984 531769261 /nfs/dbraw/zinc/76/92/61/531769261.db2.gz CMCZVVVNPORNAX-MRXNPFEDSA-N 1 0 396.241 1.410 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(Cc2cc(OC)c(OC)cc2Br)nn1 ZINC000640859926 531770013 /nfs/dbraw/zinc/77/00/13/531770013.db2.gz NDIFAINOALILBL-LLVKDONJSA-N 1 0 385.262 1.622 20 0 GDADRO O=C(NCCCNC(=O)c1cccc(Br)c1)NCC[C@@H]1CC[NH2+]C1 ZINC000417431953 531770167 /nfs/dbraw/zinc/77/01/67/531770167.db2.gz GLJNRTQIOBWGNT-ZDUSSCGKSA-N 1 0 397.317 1.868 20 0 GDADRO [NH3+]CCOCc1cn(CC(=O)Nc2ccc(Br)cc2Cl)nn1 ZINC000640896137 531770889 /nfs/dbraw/zinc/77/08/89/531770889.db2.gz SQCBRTCAWJPYDJ-UHFFFAOYSA-N 1 0 388.653 1.808 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667265872 531774115 /nfs/dbraw/zinc/77/41/15/531774115.db2.gz DXGWNURYFQTCRX-NSHDSACASA-N 1 0 384.274 1.963 20 0 GDADRO CCC[C@H](CCCS(C)(=O)=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000508334275 531774166 /nfs/dbraw/zinc/77/41/66/531774166.db2.gz QGCFIYOROQZTDF-MRXNPFEDSA-N 1 0 375.579 1.370 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000452368679 531774699 /nfs/dbraw/zinc/77/46/99/531774699.db2.gz QUZPHMHPPKGQKL-ZBFHGGJFSA-N 1 0 383.286 1.716 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)C1(c2cncc(Br)c2)CC1 ZINC000452370294 531774814 /nfs/dbraw/zinc/77/48/14/531774814.db2.gz SLTDUWSYYFTMRF-OAHLLOKOSA-N 1 0 382.302 1.839 20 0 GDADRO [NH3+]CCCc1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641043663 531775173 /nfs/dbraw/zinc/77/51/73/531775173.db2.gz WKQXZWSZGZFDMP-UHFFFAOYSA-N 1 0 377.246 1.954 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1csc(I)c1 ZINC000452372416 531775517 /nfs/dbraw/zinc/77/55/17/531775517.db2.gz CGQZWVBCNYBMBV-LLVKDONJSA-N 1 0 394.278 1.929 20 0 GDADRO C[C@H]1CCS(=O)(=O)CCN1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000508404601 531775708 /nfs/dbraw/zinc/77/57/08/531775708.db2.gz MIVJRQTWOUJYAT-HNNXBMFYSA-N 1 0 382.551 1.885 20 0 GDADRO COCC[NH2+]CCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417485326 531775759 /nfs/dbraw/zinc/77/57/59/531775759.db2.gz WFVKDRJWBXTKHF-CQSZACIVSA-N 1 0 385.306 1.563 20 0 GDADRO CN(CCC[NH+]1CCCC1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000508426314 531775809 /nfs/dbraw/zinc/77/58/09/531775809.db2.gz OEQZNTJRWYAGPC-UHFFFAOYSA-N 1 0 387.933 1.953 20 0 GDADRO COc1ccc(Br)c(CC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000452375914 531775817 /nfs/dbraw/zinc/77/58/17/531775817.db2.gz AYOUOTPAPLZGDV-AWEZNQCLSA-N 1 0 385.302 1.963 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417475899 531775985 /nfs/dbraw/zinc/77/59/85/531775985.db2.gz CCGGRAKIDPIAPC-GUTXKFCHSA-N 1 0 379.302 1.889 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417487460 531776531 /nfs/dbraw/zinc/77/65/31/531776531.db2.gz NTCNVBKYQNMEND-GFCCVEGCSA-N 1 0 385.306 1.996 20 0 GDADRO C[C@H]1CN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000417487363 531776630 /nfs/dbraw/zinc/77/66/30/531776630.db2.gz NODLHJJVBVFXSF-WFASDCNBSA-N 1 0 397.317 1.948 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641103385 531776743 /nfs/dbraw/zinc/77/67/43/531776743.db2.gz BQMGLQIEJMECLX-SWLSCSKDSA-N 1 0 394.273 1.535 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N[C@@H](C[NH3+])C2CC2)s1 ZINC000417499888 531778226 /nfs/dbraw/zinc/77/82/26/531778226.db2.gz FQIXQLKLQGEINA-AWEZNQCLSA-N 1 0 388.559 1.358 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417493884 531778253 /nfs/dbraw/zinc/77/82/53/531778253.db2.gz WMZVADPAVZGWIR-CQSZACIVSA-N 1 0 385.306 1.852 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417494778 531778641 /nfs/dbraw/zinc/77/86/41/531778641.db2.gz YQGBRERSEMFBGR-QGZVFWFLSA-N 1 0 397.317 1.949 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000592311772 531779127 /nfs/dbraw/zinc/77/91/27/531779127.db2.gz CSGIDNYOTYTPFK-OAHLLOKOSA-N 1 0 398.301 1.406 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn([C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164929 531783950 /nfs/dbraw/zinc/78/39/50/531783950.db2.gz VFTYEWWTQQREFG-SWLSCSKDSA-N 1 0 394.273 1.683 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000592386881 531784420 /nfs/dbraw/zinc/78/44/20/531784420.db2.gz UGLZZNSMQSHEDJ-LBPRGKRZSA-N 1 0 391.287 1.656 20 0 GDADRO [NH3+][C@H](c1cn(C[C@@H](O)COc2ccc(Br)cc2)nn1)[C@@H]1CCCO1 ZINC000641193489 531784496 /nfs/dbraw/zinc/78/44/96/531784496.db2.gz JLPDYDQAMPNVOO-UHOFOFEASA-N 1 0 397.273 1.659 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000417782161 531784472 /nfs/dbraw/zinc/78/44/72/531784472.db2.gz FORGFFZTUYYOPX-ZDUSSCGKSA-N 1 0 388.559 1.502 20 0 GDADRO CN(CCC[NH3+])Cc1cn(C[C@H](O)COc2cccc(Br)c2)nn1 ZINC000641195968 531784636 /nfs/dbraw/zinc/78/46/36/531784636.db2.gz LXANZDNEFGSYGJ-HNNXBMFYSA-N 1 0 398.305 1.261 20 0 GDADRO C[NH+]1CCC(CCNC(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000667771509 531785125 /nfs/dbraw/zinc/78/51/25/531785125.db2.gz CKKIAQCFTHDBNB-UHFFFAOYSA-N 1 0 393.289 1.887 20 0 GDADRO O=C(NCCCn1cc(Br)cn1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667801990 531785740 /nfs/dbraw/zinc/78/57/40/531785740.db2.gz FXSLRIPUVCBSIO-UHFFFAOYSA-N 1 0 379.262 1.898 20 0 GDADRO C[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000417781663 531785794 /nfs/dbraw/zinc/78/57/94/531785794.db2.gz WRYWYZUSMFAZPT-DOMZBBRYSA-N 1 0 386.290 1.976 20 0 GDADRO COCC[NH+]1CCC(NC(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000297390980 531788413 /nfs/dbraw/zinc/78/84/13/531788413.db2.gz XLLKNPOYFFWMFU-UHFFFAOYSA-N 1 0 397.277 1.724 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000417911258 531788618 /nfs/dbraw/zinc/78/86/18/531788618.db2.gz MMPXCAJLGLWINF-CYBMUJFWSA-N 1 0 397.317 1.776 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]([NH3+])c2ccccc2)s1 ZINC000417905907 531789715 /nfs/dbraw/zinc/78/97/15/531789715.db2.gz AVCZHNXEPJYZHL-AWEZNQCLSA-N 1 0 382.511 1.334 20 0 GDADRO CC1(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC[NH2+]CC1 ZINC000417920505 531790397 /nfs/dbraw/zinc/79/03/97/531790397.db2.gz CMAXMKPSWSYJST-UHFFFAOYSA-N 1 0 394.950 1.369 20 0 GDADRO CN(C)C(=O)c1ccccc1C[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000417946016 531791985 /nfs/dbraw/zinc/79/19/85/531791985.db2.gz DVEMRUQCOGBJLB-UHFFFAOYSA-N 1 0 381.523 1.860 20 0 GDADRO CN(C)CCN(C(=O)c1cc(C(F)F)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000623019959 531793271 /nfs/dbraw/zinc/79/32/71/531793271.db2.gz QOCWYWRCAQWZIM-LBPRGKRZSA-N 1 0 378.416 1.954 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000562990074 531793814 /nfs/dbraw/zinc/79/38/14/531793814.db2.gz DJUMVDWAAFNZNM-COXVUDFISA-N 1 0 387.318 1.808 20 0 GDADRO CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)[C@H](C)C1 ZINC000623026514 531794044 /nfs/dbraw/zinc/79/40/44/531794044.db2.gz LEOUXUHATPJDMU-LLVKDONJSA-N 1 0 379.262 1.591 20 0 GDADRO COC(=O)Cn1cc(CC[NH2+][C@@](C)(CO)c2ccc(Br)cc2)nn1 ZINC000511589075 531794333 /nfs/dbraw/zinc/79/43/33/531794333.db2.gz VERBCUSBZFHWFI-INIZCTEOSA-N 1 0 397.273 1.253 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000511574304 531795090 /nfs/dbraw/zinc/79/50/90/531795090.db2.gz SPWRWZCJMZRXLE-NEPJUHHUSA-N 1 0 397.324 1.734 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000563010902 531797571 /nfs/dbraw/zinc/79/75/71/531797571.db2.gz KNGWKCADKVCMFG-UAGQMJEPSA-N 1 0 390.933 1.525 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000418014115 531797639 /nfs/dbraw/zinc/79/76/39/531797639.db2.gz NWWXLFDCVWUBMA-SWLSCSKDSA-N 1 0 395.301 1.866 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418061106 531798814 /nfs/dbraw/zinc/79/88/14/531798814.db2.gz CYFGMOWJVDEFMP-AAEUAGOBSA-N 1 0 385.306 1.722 20 0 GDADRO [NH3+]CCN(CCO)C(=O)NCc1c(Br)cncc1Br ZINC000418242512 531818241 /nfs/dbraw/zinc/81/82/41/531818241.db2.gz VGEHQZAIRGGFQB-UHFFFAOYSA-N 1 0 396.083 1.069 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)NCc2c(Br)cncc2Br)C1 ZINC000418242517 531818296 /nfs/dbraw/zinc/81/82/96/531818296.db2.gz VGYBIZLAVDCZRY-SSDOTTSWSA-N 1 0 378.068 1.849 20 0 GDADRO COC(=O)CNC(=O)[C@@H]1CCCN1Cc1cc2c(cc1Br)OCO2 ZINC000418131942 531803595 /nfs/dbraw/zinc/80/35/95/531803595.db2.gz YNVJVJJFKURKMK-LBPRGKRZSA-N 1 0 399.241 1.431 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000623234123 531804030 /nfs/dbraw/zinc/80/40/30/531804030.db2.gz YQMQYRIYCPSBOJ-LBPRGKRZSA-N 1 0 393.278 1.235 20 0 GDADRO O=C(NCCCCn1cc(Br)cn1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000418104830 531804292 /nfs/dbraw/zinc/80/42/92/531804292.db2.gz KWQFVZPIYMGQCX-OAHLLOKOSA-N 1 0 399.337 1.115 20 0 GDADRO COC[C@@]1(CNC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CCC[NH2+]1 ZINC000514789723 531804776 /nfs/dbraw/zinc/80/47/76/531804776.db2.gz QBHULFJNOFBWPY-DIFFPNOSSA-N 1 0 388.295 1.997 20 0 GDADRO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418150781 531805348 /nfs/dbraw/zinc/80/53/48/531805348.db2.gz RMGZIIUROOTOEW-OCCSQVGLSA-N 1 0 386.905 1.012 20 0 GDADRO O=C(CN1CCc2nccc(Br)c2C1)NC1CC[NH+](C2CC2)CC1 ZINC000623286612 531806060 /nfs/dbraw/zinc/80/60/60/531806060.db2.gz ZCOZAZIYEPCSAZ-UHFFFAOYSA-N 1 0 393.329 1.945 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000418152871 531807428 /nfs/dbraw/zinc/80/74/28/531807428.db2.gz VQGRMVQAIRQQOK-CHWSQXEVSA-N 1 0 388.921 1.578 20 0 GDADRO CC1(NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000418161621 531808473 /nfs/dbraw/zinc/80/84/73/531808473.db2.gz UDLVMQIFMHYOLV-UHFFFAOYSA-N 1 0 392.884 1.199 20 0 GDADRO CC[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000669072200 531808925 /nfs/dbraw/zinc/80/89/25/531808925.db2.gz PHCPRICMRKLOLM-IUODEOHRSA-N 1 0 388.921 1.387 20 0 GDADRO CC(C)[NH2+]CCCNS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000563119596 531809521 /nfs/dbraw/zinc/80/95/21/531809521.db2.gz SIIFYDRLOTZBRL-UHFFFAOYSA-N 1 0 391.291 1.697 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418157757 531809553 /nfs/dbraw/zinc/80/95/53/531809553.db2.gz ABUUWEIFUCYWJO-RKDXNWHRSA-N 1 0 383.301 1.307 20 0 GDADRO CCC[NH2+]CCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418165840 531810791 /nfs/dbraw/zinc/81/07/91/531810791.db2.gz INBDACPWFFFEQC-UHFFFAOYSA-N 1 0 380.873 1.056 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)ccc2-n2cnnn2)CC[N@@H+]1C ZINC000669128454 531811365 /nfs/dbraw/zinc/81/13/65/531811365.db2.gz INKNKTOPSSOYOO-DGCLKSJQSA-N 1 0 393.289 1.980 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)C[C@@H]21 ZINC000453038665 531811441 /nfs/dbraw/zinc/81/14/41/531811441.db2.gz QDTAAUXHLMUYDC-WWGRRREGSA-N 1 0 392.297 1.965 20 0 GDADRO CC[NH2+]CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418168431 531811946 /nfs/dbraw/zinc/81/19/46/531811946.db2.gz OGLGMTCQFXJZCS-UHFFFAOYSA-N 1 0 383.301 1.180 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)NC[C@H]1CCC[NH2+]1 ZINC000418171806 531812105 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20 0 GDADRO C[C@H](c1ncc(Br)cn1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563152459 531814198 /nfs/dbraw/zinc/81/41/98/531814198.db2.gz ADZRISPLDZCZQO-IPYPFGDCSA-N 1 0 396.333 1.880 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H](C)Oc2ccccc2Br)CCO1 ZINC000669518089 531814323 /nfs/dbraw/zinc/81/43/23/531814323.db2.gz DBZSWLGYJJJCBJ-JMSVASOKSA-N 1 0 386.290 1.974 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2ccccc2SC)CC1 ZINC000515870778 531814611 /nfs/dbraw/zinc/81/46/11/531814611.db2.gz ZFVBJMSDSDGZFS-UHFFFAOYSA-N 1 0 385.555 1.677 20 0 GDADRO Oc1ccc(Br)c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000623653110 531819015 /nfs/dbraw/zinc/81/90/15/531819015.db2.gz ZBWKIGNUPZVTNA-LBPRGKRZSA-N 1 0 389.257 1.961 20 0 GDADRO Cc1c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc(Br)cc1S(N)(=O)=O ZINC000563170060 531816702 /nfs/dbraw/zinc/81/67/02/531816702.db2.gz NYPVNQBFROOFFL-YUMQZZPRSA-N 1 0 378.292 1.261 20 0 GDADRO [NH3+][C@H](CNC(=O)NCCn1cc(Br)ccc1=O)c1ccccc1 ZINC000418258075 531817284 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Cc1ccc(C[C@H](CO)CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1Br ZINC000418377120 531823701 /nfs/dbraw/zinc/82/37/01/531823701.db2.gz GWZWXCUKSPMFMN-LSDHHAIUSA-N 1 0 384.318 1.960 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)NCC(C)(C)[NH3+] ZINC000418416605 531824122 /nfs/dbraw/zinc/82/41/22/531824122.db2.gz QZSKKDIDGHHOLE-LLVKDONJSA-N 1 0 388.306 1.645 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000297841738 531826364 /nfs/dbraw/zinc/82/63/64/531826364.db2.gz KPVVUPLVIRQPMT-UHFFFAOYSA-N 1 0 388.299 1.268 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)NC[C@@H](C)C[NH3+] ZINC000418493352 531827023 /nfs/dbraw/zinc/82/70/23/531827023.db2.gz QTBLVLYBJTYGDQ-NWDGAFQWSA-N 1 0 388.306 1.503 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000283082696 531827156 /nfs/dbraw/zinc/82/71/56/531827156.db2.gz HQALKXPHLMPFJF-WFASDCNBSA-N 1 0 390.253 1.634 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1nc2cccnc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000283098123 531829011 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CC[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000418720391 531834541 /nfs/dbraw/zinc/83/45/41/531834541.db2.gz JFSQWXAGZWPBRE-JTQLQIEISA-N 1 0 380.923 1.155 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000418700935 531834702 /nfs/dbraw/zinc/83/47/02/531834702.db2.gz JRTOJIYIPIGFMT-ZDUSSCGKSA-N 1 0 388.921 1.483 20 0 GDADRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624230729 531835037 /nfs/dbraw/zinc/83/50/37/531835037.db2.gz FGIPMPMWKZOXAX-NXEZZACHSA-N 1 0 382.313 1.358 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418733270 531836036 /nfs/dbraw/zinc/83/60/36/531836036.db2.gz RGHYVYBUXCIGOC-FZMZJTMJSA-N 1 0 376.270 1.776 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418763823 531837494 /nfs/dbraw/zinc/83/74/94/531837494.db2.gz NLDWDSPLBIQYRW-LRDDRELGSA-N 1 0 381.318 1.809 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)N(CCO)Cc1cc(Br)ccc1F ZINC000418759137 531838230 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O=C(C(=O)N1CCSC[C@H]1c1nccs1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000297882594 531831073 /nfs/dbraw/zinc/83/10/73/531831073.db2.gz VDYQRPGTYFXHOP-KBPBESRZSA-N 1 0 378.523 1.232 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1COc2ccc(Br)cc21 ZINC000670406735 531831059 /nfs/dbraw/zinc/83/10/59/531831059.db2.gz BFYQJLQPUMSAEC-ZFWWWQNUSA-N 1 0 380.286 1.431 20 0 GDADRO CN1CCN(C(=O)CC[N@H+](C)C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000297987425 531840132 /nfs/dbraw/zinc/84/01/32/531840132.db2.gz AERYNTMJQOIUOO-MRXNPFEDSA-N 1 0 384.318 1.578 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000418830399 531848920 /nfs/dbraw/zinc/84/89/20/531848920.db2.gz OLCSOYUNFWRWBH-UNIGVISCSA-N 1 0 394.313 1.926 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2Br)C1 ZINC000418832127 531849798 /nfs/dbraw/zinc/84/97/98/531849798.db2.gz YYINBNSIIGWPFM-ZYHUDNBSSA-N 1 0 386.265 1.790 20 0 GDADRO CN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)C1CC[NH2+]CC1 ZINC000418840008 531850646 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20 0 GDADRO [NH3+]C/C=C\CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000641865653 531853990 /nfs/dbraw/zinc/85/39/90/531853990.db2.gz ZTJVFQOAVPFVMP-BIOMNHJASA-N 1 0 396.289 1.719 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000418852607 531854110 /nfs/dbraw/zinc/85/41/10/531854110.db2.gz VMCKZQKRYDQUKG-ZYHUDNBSSA-N 1 0 386.265 1.443 20 0 GDADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563580470 531854798 /nfs/dbraw/zinc/85/47/98/531854798.db2.gz IOQFRNJUWPZRSY-UMVBOHGHSA-N 1 0 385.917 1.801 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2C)c(C)c[nH+]1 ZINC000563431417 531840672 /nfs/dbraw/zinc/84/06/72/531840672.db2.gz RCTKWXYTBXZEBN-AWEZNQCLSA-N 1 0 375.516 1.066 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)NCC2([NH3+])CCOCC2)c1 ZINC000624387013 531840978 /nfs/dbraw/zinc/84/09/78/531840978.db2.gz BXNHUXCAXVEEAK-UHFFFAOYSA-N 1 0 379.276 1.244 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000418788192 531841043 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1.739 20 0 GDADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000641623186 531845578 /nfs/dbraw/zinc/84/55/78/531845578.db2.gz GBVRETNWTKKAOR-BZUAXINKSA-N 1 0 380.576 1.193 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)NC/C=C/C[NH3+] ZINC000641866876 531855359 /nfs/dbraw/zinc/85/53/59/531855359.db2.gz KQOWHRUJQQMYBW-NSCUHMNNSA-N 1 0 389.319 1.673 20 0 GDADRO C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000671149766 531846767 /nfs/dbraw/zinc/84/67/67/531846767.db2.gz UMLDFRVTEXMPDR-CABCVRRESA-N 1 0 385.599 1.817 20 0 GDADRO Brc1cnn(C2CCN(Cc3nnnn3C3CCOCC3)CC2)c1 ZINC000563500785 531847226 /nfs/dbraw/zinc/84/72/26/531847226.db2.gz YCSRAPFHGQJBCJ-UHFFFAOYSA-N 1 0 396.293 1.821 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCOc2cccc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000418931841 531866063 /nfs/dbraw/zinc/86/60/63/531866063.db2.gz CQAMJZKCAHCRRU-NEPJUHHUSA-N 1 0 384.274 1.153 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418934723 531866154 /nfs/dbraw/zinc/86/61/54/531866154.db2.gz KRFWQSYPAAICQH-UHFFFAOYSA-N 1 0 380.286 1.323 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)Sc1ccc(Br)cc1 ZINC000418932253 531866381 /nfs/dbraw/zinc/86/63/81/531866381.db2.gz GGSCIQZNKPZVEG-JTQLQIEISA-N 1 0 386.315 1.382 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000418932568 531866492 /nfs/dbraw/zinc/86/64/92/531866492.db2.gz HXEHFVDJOAAECS-MFKMUULPSA-N 1 0 384.274 1.295 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418934109 531866817 /nfs/dbraw/zinc/86/68/17/531866817.db2.gz BKNUSAFEWZEXKV-HIFRSBDPSA-N 1 0 380.286 1.892 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000418941282 531868032 /nfs/dbraw/zinc/86/80/32/531868032.db2.gz KAKUZEUCGZTJFI-ABAIWWIYSA-N 1 0 380.286 1.621 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563606179 531855656 /nfs/dbraw/zinc/85/56/56/531855656.db2.gz ASHPQYXHTPBXMJ-OUCADQQQSA-N 1 0 383.290 1.298 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418861374 531857482 /nfs/dbraw/zinc/85/74/82/531857482.db2.gz FBGMIOYMAZAVND-DGCLKSJQSA-N 1 0 387.311 1.884 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(Br)cn1 ZINC000418865556 531857828 /nfs/dbraw/zinc/85/78/28/531857828.db2.gz LGJNSCKKDMEPTH-SDDRHHMPSA-N 1 0 381.274 1.089 20 0 GDADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)C(=O)NC1CC[NH2+]CC1 ZINC000418868310 531858299 /nfs/dbraw/zinc/85/82/99/531858299.db2.gz QOXWIMSNDRZXBM-ZDUSSCGKSA-N 1 0 395.301 1.012 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000418871234 531858335 /nfs/dbraw/zinc/85/83/35/531858335.db2.gz UZHIQAVENUHRHY-BYCMXARLSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000418871224 531858363 /nfs/dbraw/zinc/85/83/63/531858363.db2.gz UYVSGAVVDKMJHP-XBFCOCLRSA-N 1 0 380.286 1.694 20 0 GDADRO C[C@@H](c1ncc(Br)cn1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000367736618 531858739 /nfs/dbraw/zinc/85/87/39/531858739.db2.gz HCDAOXAETAKSGI-JSGCOSHPSA-N 1 0 382.306 1.539 20 0 GDADRO CCCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cn1)[C@@H]1CC[NH2+]C1 ZINC000418866855 531858754 /nfs/dbraw/zinc/85/87/54/531858754.db2.gz NJWVCEGBTKLDTF-DGCLKSJQSA-N 1 0 383.290 1.622 20 0 GDADRO CC1(CNC(=O)C(=O)NCc2cc(F)cc(Br)c2)CC[NH2+]CC1 ZINC000418920806 531863101 /nfs/dbraw/zinc/86/31/01/531863101.db2.gz BZSIGCLMOHLMMC-UHFFFAOYSA-N 1 0 386.265 1.710 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418926172 531864328 /nfs/dbraw/zinc/86/43/28/531864328.db2.gz TWMWCTFNBCXRCL-CYBMUJFWSA-N 1 0 386.265 1.505 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418931760 531864728 /nfs/dbraw/zinc/86/47/28/531864728.db2.gz CCJGYYADGVRABA-CHWSQXEVSA-N 1 0 398.301 1.530 20 0 GDADRO C[C@@H](CSCCF)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000595005067 531865048 /nfs/dbraw/zinc/86/50/48/531865048.db2.gz WTUFQTGOQGUTQD-AWEZNQCLSA-N 1 0 376.519 1.888 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1)C1CC1 ZINC000418931480 531865153 /nfs/dbraw/zinc/86/51/53/531865153.db2.gz GAPNDQIFJWDHER-OAHLLOKOSA-N 1 0 394.313 1.841 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418943984 531869260 /nfs/dbraw/zinc/86/92/60/531869260.db2.gz ZLLGLWIJJWFTHH-OAHLLOKOSA-N 1 0 394.313 1.855 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000564966743 531871528 /nfs/dbraw/zinc/87/15/28/531871528.db2.gz KSGGWBHMDZUIFM-CYBMUJFWSA-N 1 0 375.878 1.665 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1I ZINC000595243723 531871713 /nfs/dbraw/zinc/87/17/13/531871713.db2.gz GYGXEXFDPWBZLX-ZETCQYMHSA-N 1 0 379.173 1.093 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418978696 531875384 /nfs/dbraw/zinc/87/53/84/531875384.db2.gz WMJUMPVSAAHGJG-INIZCTEOSA-N 1 0 394.273 1.139 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)c(C)c2)[C@@H](C[NH3+])C1 ZINC000418991250 531875476 /nfs/dbraw/zinc/87/54/76/531875476.db2.gz MFNXTFXFOIWNJM-KGLIPLIRSA-N 1 0 398.301 1.338 20 0 GDADRO CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000625042616 531877565 /nfs/dbraw/zinc/87/75/65/531877565.db2.gz CKSBYYMNZCXOQX-SJORKVTESA-N 1 0 390.546 1.740 20 0 GDADRO CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000644045791 531877674 /nfs/dbraw/zinc/87/76/74/531877674.db2.gz GJJWOBLSDLWEII-CQSZACIVSA-N 1 0 375.441 1.948 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418996823 531877743 /nfs/dbraw/zinc/87/77/43/531877743.db2.gz SVQOTDMKPOCKKL-UHFFFAOYSA-N 1 0 394.313 1.710 20 0 GDADRO CS[C@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000270495707 531880494 /nfs/dbraw/zinc/88/04/94/531880494.db2.gz OZTXDACFHJDXST-GJZGRUSLSA-N 1 0 382.917 1.987 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419019014 531881273 /nfs/dbraw/zinc/88/12/73/531881273.db2.gz IRWLKEQKZHNLJI-GXTWGEPZSA-N 1 0 382.302 1.694 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419017912 531881361 /nfs/dbraw/zinc/88/13/61/531881361.db2.gz GSDOIVLGVBFSEY-RISCZKNCSA-N 1 0 396.285 1.505 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419021545 531881790 /nfs/dbraw/zinc/88/17/90/531881790.db2.gz MMHJLPVKJZDTRK-DOMZBBRYSA-N 1 0 398.301 1.073 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419019015 531881800 /nfs/dbraw/zinc/88/18/00/531881800.db2.gz IRWLKEQKZHNLJI-JSGCOSHPSA-N 1 0 382.302 1.694 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000566244659 531882153 /nfs/dbraw/zinc/88/21/53/531882153.db2.gz MWSFOHIXNMUBIL-HUUCEWRRSA-N 1 0 388.555 1.326 20 0 GDADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1cccnc1OCC(F)F ZINC000625158390 531882759 /nfs/dbraw/zinc/88/27/59/531882759.db2.gz GVNQLAFPKXBBRX-UHFFFAOYSA-N 1 0 375.441 1.878 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000566244658 531882797 /nfs/dbraw/zinc/88/27/97/531882797.db2.gz MWSFOHIXNMUBIL-GJZGRUSLSA-N 1 0 388.555 1.326 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419026540 531883329 /nfs/dbraw/zinc/88/33/29/531883329.db2.gz ULYKYOUAQVATTL-STQMWFEESA-N 1 0 382.302 1.707 20 0 GDADRO C[C@H](O)CN1CCN(C(=O)c2ccc(I)cn2)[C@@H](C)C1 ZINC000456029372 531891727 /nfs/dbraw/zinc/89/17/27/531891727.db2.gz UKVOLQXLVHTOOP-QWRGUYRKSA-N 1 0 389.237 1.213 20 0 GDADRO CC[C@@H]1CN(C(=O)CN2c3ccc(Br)cc3OCC2=O)CC[C@H]1[NH3+] ZINC000647006378 531892062 /nfs/dbraw/zinc/89/20/62/531892062.db2.gz PFDKTBQYAFSODN-DGCLKSJQSA-N 1 0 396.285 1.760 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccccc2Br)C1 ZINC000419051719 531892760 /nfs/dbraw/zinc/89/27/60/531892760.db2.gz GMXDLNOKVOLLPI-QWHCGFSZSA-N 1 0 382.302 1.564 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000419052836 531892927 /nfs/dbraw/zinc/89/29/27/531892927.db2.gz ILTJDVUPAFIWCW-NJZAAPMLSA-N 1 0 382.302 1.692 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000298493614 531893281 /nfs/dbraw/zinc/89/32/81/531893281.db2.gz NQCUVTOHVGFIGV-UHFFFAOYSA-N 1 0 376.425 1.518 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000283774717 531893403 /nfs/dbraw/zinc/89/34/03/531893403.db2.gz RYMIBXKKZCLEKL-LLVKDONJSA-N 1 0 379.404 1.052 20 0 GDADRO CCOC(=O)CSc1nnc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)s1 ZINC000595930268 531893502 /nfs/dbraw/zinc/89/35/02/531893502.db2.gz PTHZFZOTVVNMLK-LLVKDONJSA-N 1 0 384.405 1.674 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419053687 531893768 /nfs/dbraw/zinc/89/37/68/531893768.db2.gz KLSFVJKQZAJBIR-JMSVASOKSA-N 1 0 382.302 1.692 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000419053930 531893923 /nfs/dbraw/zinc/89/39/23/531893923.db2.gz KWGVZAKQZBUWBA-GHMZBOCLSA-N 1 0 388.281 1.750 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419056330 531894787 /nfs/dbraw/zinc/89/47/87/531894787.db2.gz QPWOYXKCPZMKEK-UWVGGRQHSA-N 1 0 388.693 1.914 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000419058194 531895110 /nfs/dbraw/zinc/89/51/10/531895110.db2.gz VXDHJCLUNYNDKJ-ZLDLUXBVSA-N 1 0 382.302 1.740 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1 ZINC000298501250 531895145 /nfs/dbraw/zinc/89/51/45/531895145.db2.gz MWALPSLATSMQLH-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)Cc2ccccc2Br)CC1 ZINC000419058124 531895277 /nfs/dbraw/zinc/89/52/77/531895277.db2.gz VQGIBVCAZJJRCY-CYBMUJFWSA-N 1 0 396.329 1.954 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419057787 531895436 /nfs/dbraw/zinc/89/54/36/531895436.db2.gz VKKHMMCAHXZMSZ-ZDUSSCGKSA-N 1 0 382.302 1.884 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1sc2c(c1I)CNC2 ZINC000595949550 531895513 /nfs/dbraw/zinc/89/55/13/531895513.db2.gz WPOJVKJWNUBRBP-YUMQZZPRSA-N 1 0 391.278 1.765 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419061328 531896246 /nfs/dbraw/zinc/89/62/46/531896246.db2.gz DCTNUGKLKBHXDF-UHFFFAOYSA-N 1 0 376.682 1.787 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)CC[NH2+]1 ZINC000419066995 531896611 /nfs/dbraw/zinc/89/66/11/531896611.db2.gz KJNDYPOFCXIEBC-UHFFFAOYSA-N 1 0 388.693 1.929 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419076027 531897628 /nfs/dbraw/zinc/89/76/28/531897628.db2.gz VMLHHPWRGOTABH-MWLCHTKSSA-N 1 0 388.693 1.914 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419035973 531884797 /nfs/dbraw/zinc/88/47/97/531884797.db2.gz FVYVLXYZUFAEIK-GXFFZTMASA-N 1 0 384.274 1.361 20 0 GDADRO COCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)CC1 ZINC000368028250 531885555 /nfs/dbraw/zinc/88/55/55/531885555.db2.gz ZSKNPMWFDBFJPS-MRXNPFEDSA-N 1 0 375.535 1.096 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000419036847 531886373 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1.620 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000566678757 531890781 /nfs/dbraw/zinc/89/07/81/531890781.db2.gz KZSXEZGTXQJMSN-HUUCEWRRSA-N 1 0 388.555 1.313 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000419051194 531891057 /nfs/dbraw/zinc/89/10/57/531891057.db2.gz FHUJQSMYOJWGRV-CABZTGNLSA-N 1 0 387.267 1.021 20 0 GDADRO CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@@]3(C)CC[NH2+]C3)cc2c1C ZINC000596051490 531905148 /nfs/dbraw/zinc/90/51/48/531905148.db2.gz PSFKDLIQMPWVBE-INIZCTEOSA-N 1 0 383.495 1.812 20 0 GDADRO CC1([NH3+])CCN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000647926441 531905397 /nfs/dbraw/zinc/90/53/97/531905397.db2.gz DCKHKPCUNQEOJO-CQSZACIVSA-N 1 0 385.555 1.077 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cn2ccc(Br)cc2n1 ZINC000567960632 531905401 /nfs/dbraw/zinc/90/54/01/531905401.db2.gz UFQPBPVRPUPQGH-UHFFFAOYSA-N 1 0 382.306 1.710 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419157050 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20 0 GDADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625546329 531904237 /nfs/dbraw/zinc/90/42/37/531904237.db2.gz QIEGUMXETGIZDQ-MRXNPFEDSA-N 1 0 382.302 1.772 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000419142998 531904606 /nfs/dbraw/zinc/90/46/06/531904606.db2.gz HJRGXLPBFLRWOB-CHWSQXEVSA-N 1 0 384.274 1.030 20 0 GDADRO Cn1cc(I)c(CNC(=O)CC2CC[NH+](C)CC2)n1 ZINC000456513316 531918461 /nfs/dbraw/zinc/91/84/61/531918461.db2.gz VGCRZIIKJQYOHY-UHFFFAOYSA-N 1 0 376.242 1.373 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc2cccc(Br)c2n1 ZINC000569358804 531920013 /nfs/dbraw/zinc/92/00/13/531920013.db2.gz MJNIMNPZVYPOML-LBPRGKRZSA-N 1 0 377.242 1.804 20 0 GDADRO COc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1Br ZINC000649080139 531921761 /nfs/dbraw/zinc/92/17/61/531921761.db2.gz RHJZPDHHRFPSIA-LLVKDONJSA-N 1 0 384.274 1.650 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)c1[nH]nc(C3CC3)c1Br)CCO2 ZINC000649134370 531923173 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O=C(CNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1Br ZINC000569811287 531930307 /nfs/dbraw/zinc/93/03/07/531930307.db2.gz QIJGRQCPCYFZSQ-STQMWFEESA-N 1 0 395.301 1.045 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000368710956 531930686 /nfs/dbraw/zinc/93/06/86/531930686.db2.gz ZKIAIHWQRQCGHE-GFCCVEGCSA-N 1 0 389.568 1.358 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419406536 531930952 /nfs/dbraw/zinc/93/09/52/531930952.db2.gz VBAMPVDCXXKLAQ-GXFFZTMASA-N 1 0 389.283 1.612 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(O)c(Br)c2)C[C@@H]1C[NH3+] ZINC000419412831 531931630 /nfs/dbraw/zinc/93/16/30/531931630.db2.gz RNJNUDAKDLHIGN-JQWIXIFHSA-N 1 0 384.274 1.214 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(O)c(Br)c1 ZINC000419404464 531931700 /nfs/dbraw/zinc/93/17/00/531931700.db2.gz FZNIVCWSLKYECN-AAEUAGOBSA-N 1 0 384.274 1.405 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(O)c(Br)c1 ZINC000419404465 531931808 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1.995 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000419541837 531936567 /nfs/dbraw/zinc/93/65/67/531936567.db2.gz CSDPIGBDIHTHQC-MRVPVSSYSA-N 1 0 382.770 1.102 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000270884489 531937098 /nfs/dbraw/zinc/93/70/98/531937098.db2.gz OLHOXLQVYICDSF-LLVKDONJSA-N 1 0 384.274 1.806 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419590588 531938770 /nfs/dbraw/zinc/93/87/70/531938770.db2.gz SDYLOVUPAIAZRI-ABAIWWIYSA-N 1 0 380.286 1.668 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419348844 531927268 /nfs/dbraw/zinc/92/72/68/531927268.db2.gz BZYYHAWRPBXOTP-GHMZBOCLSA-N 1 0 384.274 1.283 20 0 GDADRO CC[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)Cc1cccc(Br)c1 ZINC000419352863 531927913 /nfs/dbraw/zinc/92/79/13/531927913.db2.gz AWWYNTIVUZKGLA-WFASDCNBSA-N 1 0 382.302 1.694 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)NCc1ccc(Br)c(F)c1F ZINC000627065505 531942851 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GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000419625642 531945544 /nfs/dbraw/zinc/94/55/44/531945544.db2.gz WSEBZVDYWYYAMW-VXGBXAGGSA-N 1 0 386.290 1.304 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627186329 531945879 /nfs/dbraw/zinc/94/58/79/531945879.db2.gz MZDFVNWROIKXLP-CQSZACIVSA-N 1 0 386.290 1.848 20 0 GDADRO C[NH2+]CCOCCNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000627177931 531946386 /nfs/dbraw/zinc/94/63/86/531946386.db2.gz SVOGXLPVOHZCBU-HNNXBMFYSA-N 1 0 386.290 1.768 20 0 GDADRO CN(C)[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000284311702 531947264 /nfs/dbraw/zinc/94/72/64/531947264.db2.gz ZBRLULQJCBRYIY-RHSMWYFYSA-N 1 0 384.571 1.021 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000652381507 531948404 /nfs/dbraw/zinc/94/84/04/531948404.db2.gz QASLEHLNIHBGEU-UHFFFAOYSA-N 1 0 386.470 1.308 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419653973 531948666 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C[NH+](C)C1(CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000419794109 531971522 /nfs/dbraw/zinc/97/15/22/531971522.db2.gz DPRSOXWVKQXREF-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO COCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000299259919 531971822 /nfs/dbraw/zinc/97/18/22/531971822.db2.gz HBRMJWXOCVINPV-LBPRGKRZSA-N 1 0 391.921 1.886 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)C[C@H]1[NH+](C)C ZINC000271140508 531972064 /nfs/dbraw/zinc/97/20/64/531972064.db2.gz YAQLBJJEURVVDW-CABCVRRESA-N 1 0 385.511 1.309 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419808900 531972118 /nfs/dbraw/zinc/97/21/18/531972118.db2.gz GTFXDPSDVAQYRS-GFCCVEGCSA-N 1 0 384.318 1.815 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419811154 531972241 /nfs/dbraw/zinc/97/22/41/531972241.db2.gz HIFPAVKAORMXNC-TZMCWYRMSA-N 1 0 382.302 1.612 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419815227 531973777 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C[NH2+]CCCNC(=O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000419845814 531976594 /nfs/dbraw/zinc/97/65/94/531976594.db2.gz ONDVFYFXCOTMMX-AWEZNQCLSA-N 1 0 392.258 1.758 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000419841815 531976805 /nfs/dbraw/zinc/97/68/05/531976805.db2.gz KVJVPLWUUHABSI-ZDUSSCGKSA-N 1 0 398.276 1.947 20 0 GDADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000419846380 531977989 /nfs/dbraw/zinc/97/79/89/531977989.db2.gz HFLWEYCFLLNNTL-UHFFFAOYSA-N 1 0 385.295 1.510 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N[C@H]1CCC[NH2+]CC1 ZINC000370019467 531977998 /nfs/dbraw/zinc/97/79/98/531977998.db2.gz KQBFQQXXUAVEIW-AWEZNQCLSA-N 1 0 385.555 1.724 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000628741001 531977993 /nfs/dbraw/zinc/97/79/93/531977993.db2.gz XQCCNWFTRCJSAQ-UONOGXRCSA-N 1 0 387.933 1.855 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)C1 ZINC000573247876 531978735 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C[NH2+]CCNC(=O)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000419880920 531980940 /nfs/dbraw/zinc/98/09/40/531980940.db2.gz VNTKUKFWHJDRGE-UHFFFAOYSA-N 1 0 384.274 1.155 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@]2(CCSC2)C1)c1cccs1 ZINC000574079105 531994636 /nfs/dbraw/zinc/99/46/36/531994636.db2.gz IWYIQFNZKNNZGW-SUMWQHHRSA-N 1 0 383.539 1.202 20 0 GDADRO CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000419886522 531981930 /nfs/dbraw/zinc/98/19/30/531981930.db2.gz PQFCHDHZURVPIW-AAEUAGOBSA-N 1 0 382.258 1.209 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419895267 531982444 /nfs/dbraw/zinc/98/24/44/531982444.db2.gz RWCDWSOOMDRSRJ-OAHLLOKOSA-N 1 0 394.313 1.807 20 0 GDADRO COC(=O)C1(CS(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)CCC1 ZINC000573414534 531982933 /nfs/dbraw/zinc/98/29/33/531982933.db2.gz HTIARSDEBBOVQR-ZIAGYGMSSA-N 1 0 376.544 1.171 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000420003567 531994704 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CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000573793404 531990348 /nfs/dbraw/zinc/99/03/48/531990348.db2.gz MFSLKWMTFOKYKZ-ZDUSSCGKSA-N 1 0 398.301 1.484 20 0 GDADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000370527280 531990412 /nfs/dbraw/zinc/99/04/12/531990412.db2.gz IJMHREJKEKFFQD-SFHVURJKSA-N 1 0 376.563 1.956 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2 ZINC000419970825 531991468 /nfs/dbraw/zinc/99/14/68/531991468.db2.gz CPIYNFINZNCMIO-HNNXBMFYSA-N 1 0 382.302 1.742 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420005047 531996427 /nfs/dbraw/zinc/99/64/27/531996427.db2.gz ZZCMREDVWZVTIG-LLVKDONJSA-N 1 0 399.289 1.056 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000420013078 531996467 /nfs/dbraw/zinc/99/64/67/531996467.db2.gz IRDOSXCHLIXWJJ-BBRMVZONSA-N 1 0 394.313 1.968 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(Br)c1 ZINC000657071734 531997183 /nfs/dbraw/zinc/99/71/83/531997183.db2.gz BEXDLGKALOLTBA-ZDUSSCGKSA-N 1 0 392.363 1.999 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000370673289 531998926 /nfs/dbraw/zinc/99/89/26/531998926.db2.gz LVDXSWXZIJDMNZ-GHMZBOCLSA-N 1 0 375.853 1.668 20 0 GDADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000420054312 531999017 /nfs/dbraw/zinc/99/90/17/531999017.db2.gz YBRZRVHKIYAKJQ-RISCZKNCSA-N 1 0 398.305 1.053 20 0 GDADRO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCc2ccc(Br)cc21 ZINC000574905388 532002290 /nfs/dbraw/zinc/00/22/90/532002290.db2.gz QXVJVHBTFHGNOB-SFHVURJKSA-N 1 0 392.297 1.940 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC000420124210 532004957 /nfs/dbraw/zinc/00/49/57/532004957.db2.gz MRHLNTADYCKCQK-ZWNOBZJWSA-N 1 0 386.265 1.803 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000420119511 532004256 /nfs/dbraw/zinc/00/42/56/532004256.db2.gz JEVZVHBYQMGNOT-TZMCWYRMSA-N 1 0 398.301 1.543 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000420124282 532004387 /nfs/dbraw/zinc/00/43/87/532004387.db2.gz ROPVMNUKCJKMAP-HZMBPMFUSA-N 1 0 386.265 1.661 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(F)c3Cl)CCN2C1=O ZINC000574927598 532004582 /nfs/dbraw/zinc/00/45/82/532004582.db2.gz PFCNMMRURGZXEG-IONNQARKSA-N 1 0 382.244 1.065 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420127363 532004786 /nfs/dbraw/zinc/00/47/86/532004786.db2.gz PARRZBPGDLXIKP-DOMZBBRYSA-N 1 0 382.302 1.912 20 0 GDADRO Cc1nc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)sc1Br ZINC000458935985 532003037 /nfs/dbraw/zinc/00/30/37/532003037.db2.gz WRKDFYOGGBSTMV-JTQLQIEISA-N 1 0 377.308 1.686 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000420113330 532003228 /nfs/dbraw/zinc/00/32/28/532003228.db2.gz BUXXIXOZXZZKOE-AWEZNQCLSA-N 1 0 398.301 1.804 20 0 GDADRO CN(CC[NH2+]Cc1c(C(F)(F)F)cnn1C)S(=O)(=O)c1cccs1 ZINC000657411372 532005438 /nfs/dbraw/zinc/00/54/38/532005438.db2.gz RMBGTHCHDWTBOO-UHFFFAOYSA-N 1 0 382.433 1.911 20 0 GDADRO C[C@H]1CN(C(=O)NCc2nn(C)cc2Br)CC[N@@H+]1CC(C)(C)O ZINC000459027689 532006208 /nfs/dbraw/zinc/00/62/08/532006208.db2.gz QAOIDVCMGJCENG-NSHDSACASA-N 1 0 388.310 1.169 20 0 GDADRO Fc1cncc(Br)c1CN[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000657362334 532005183 /nfs/dbraw/zinc/00/51/83/532005183.db2.gz AAISSIJRACPYQG-CYBMUJFWSA-N 1 0 387.297 1.479 20 0 GDADRO C[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271373767 532008508 /nfs/dbraw/zinc/00/85/08/532008508.db2.gz CCSLKFJTRBMUBF-CZUORRHYSA-N 1 0 390.527 1.569 20 0 GDADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000420167756 532008429 /nfs/dbraw/zinc/00/84/29/532008429.db2.gz PRNKHPRPGQAPAL-QWHCGFSZSA-N 1 0 382.555 1.654 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000420172701 532007616 /nfs/dbraw/zinc/00/76/16/532007616.db2.gz UJRITJDTVMNDFD-DTWKUNHWSA-N 1 0 375.313 1.586 20 0 GDADRO CCC(=O)N1CCC([NH2+]CCNC(=O)c2ccc(Br)cn2)CC1 ZINC000657561894 532008812 /nfs/dbraw/zinc/00/88/12/532008812.db2.gz DITAJAFAVFXDNS-UHFFFAOYSA-N 1 0 383.290 1.565 20 0 GDADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000575073827 532009269 /nfs/dbraw/zinc/00/92/69/532009269.db2.gz YMXFYCBPOKWLTL-HFAKWTLXSA-N 1 0 385.295 1.878 20 0 GDADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4ncc(Br)cc34)[C@H]2C1 ZINC000284954166 532010333 /nfs/dbraw/zinc/01/03/33/532010333.db2.gz KPXLAKMZWILGPW-UONOGXRCSA-N 1 0 379.258 1.871 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000575316000 532011090 /nfs/dbraw/zinc/01/10/90/532011090.db2.gz INRSXVFBEUKDIG-LBPRGKRZSA-N 1 0 391.896 1.733 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)C[C@@H]3CCC3(F)F)CC2)CC1 ZINC000632155436 532013030 /nfs/dbraw/zinc/01/30/30/532013030.db2.gz ZEHMKMDDUSWHEA-HNNXBMFYSA-N 1 0 379.517 1.852 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000632177786 532017054 /nfs/dbraw/zinc/01/70/54/532017054.db2.gz DFHRPWKXYXLZQU-CYBMUJFWSA-N 1 0 381.420 1.835 20 0 GDADRO NC(=O)Cn1cc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000459468043 532017650 /nfs/dbraw/zinc/01/76/50/532017650.db2.gz LIPVQZPKDMDNGJ-GFCCVEGCSA-N 1 0 393.289 1.142 20 0 GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000420457732 532017465 /nfs/dbraw/zinc/01/74/65/532017465.db2.gz IDUHNGLKVSZKNX-VIFPVBQESA-N 1 0 378.422 1.949 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1nccn2c(Br)cnc12 ZINC000271474320 532019438 /nfs/dbraw/zinc/01/94/38/532019438.db2.gz UWQIXLRELLBIMB-LLVKDONJSA-N 1 0 382.262 1.068 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCC([N@H+](C)CCO)CC2)sc1Br ZINC000271491576 532021165 /nfs/dbraw/zinc/02/11/65/532021165.db2.gz VXAXVQMCLBMDIQ-UHFFFAOYSA-N 1 0 398.348 1.291 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000576284693 532022091 /nfs/dbraw/zinc/02/20/91/532022091.db2.gz GXNFTEZBEWWESP-UKRRQHHQSA-N 1 0 387.933 1.701 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000576506537 532022447 /nfs/dbraw/zinc/02/24/47/532022447.db2.gz VCKCUSBUNVJRES-UHFFFAOYSA-N 1 0 390.502 1.718 20 0 GDADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000632297358 532023432 /nfs/dbraw/zinc/02/34/32/532023432.db2.gz ACVWJADBMRNVSH-CYBMUJFWSA-N 1 0 375.441 1.977 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000576842129 532028951 /nfs/dbraw/zinc/02/89/51/532028951.db2.gz ZHNOBBCKVDUGRP-ZDUSSCGKSA-N 1 0 387.933 1.833 20 0 GDADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000576936956 532030757 /nfs/dbraw/zinc/03/07/57/532030757.db2.gz QFHGCBKCLPIRGP-CMPLNLGQSA-N 1 0 390.709 1.890 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000577055755 532031771 /nfs/dbraw/zinc/03/17/71/532031771.db2.gz YTTXTFZJJHIXOR-GFCCVEGCSA-N 1 0 381.420 1.951 20 0 GDADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000577385027 532035521 /nfs/dbraw/zinc/03/55/21/532035521.db2.gz FJEHNDDNJWHRQH-IAGOWNOFSA-N 1 0 380.535 1.952 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420675831 532036840 /nfs/dbraw/zinc/03/68/40/532036840.db2.gz KJGIJQNEWSIUJT-LLVKDONJSA-N 1 0 381.420 1.341 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1cccc(I)c1 ZINC000599706406 532037695 /nfs/dbraw/zinc/03/76/95/532037695.db2.gz PVPUSWIMDWOFHV-LBPRGKRZSA-N 1 0 375.210 1.479 20 0 GDADRO CC[C@H](CS(=O)(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)OC ZINC000420681370 532038155 /nfs/dbraw/zinc/03/81/55/532038155.db2.gz ZBCSVHOYWZVRHU-XYJFISCASA-N 1 0 376.563 1.953 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)ccc1OC(F)F ZINC000420681211 532038357 /nfs/dbraw/zinc/03/83/57/532038357.db2.gz XOMRUQPOSODBEA-GFCCVEGCSA-N 1 0 382.404 1.552 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000460274767 532042609 /nfs/dbraw/zinc/04/26/09/532042609.db2.gz JJEFDGJIGQIQLH-INIZCTEOSA-N 1 0 399.289 1.062 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000632867580 532043127 /nfs/dbraw/zinc/04/31/27/532043127.db2.gz BPWSZSCYCMNWKC-UHFFFAOYSA-N 1 0 387.326 1.009 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000578427651 532049410 /nfs/dbraw/zinc/04/94/10/532049410.db2.gz RAQGYAKVGQNVPI-ZDUSSCGKSA-N 1 0 380.491 1.689 20 0 GDADRO NS(=O)(=O)c1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000302795904 532050849 /nfs/dbraw/zinc/05/08/49/532050849.db2.gz PGVMYFKBOAHSGC-CQSZACIVSA-N 1 0 382.511 1.494 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000462502496 532050851 /nfs/dbraw/zinc/05/08/51/532050851.db2.gz NLSREJNICPIFOU-UHFFFAOYSA-N 1 0 378.878 1.373 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NCCC[NH+](C)C)ccc1Br ZINC000271764038 532050899 /nfs/dbraw/zinc/05/08/99/532050899.db2.gz MWUZYSGTWNZUJP-UHFFFAOYSA-N 1 0 386.246 1.242 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc(I)cc1 ZINC000305949204 532052803 /nfs/dbraw/zinc/05/28/03/532052803.db2.gz 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C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000332642195 532202215 /nfs/dbraw/zinc/20/22/15/532202215.db2.gz XGAJVAZOAUNYDG-NSHDSACASA-N 1 0 398.276 1.683 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332640367 532202656 /nfs/dbraw/zinc/20/26/56/532202656.db2.gz VTRJUHUKWQSWHM-LBPRGKRZSA-N 1 0 394.313 1.920 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000332645440 532203342 /nfs/dbraw/zinc/20/33/42/532203342.db2.gz WTUNESJOFJPTPM-TZMCWYRMSA-N 1 0 394.313 1.920 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000332643722 532203349 /nfs/dbraw/zinc/20/33/49/532203349.db2.gz ZERXPHCKWSTMCK-GHMZBOCLSA-N 1 0 384.249 1.903 20 0 GDADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333242426 532227255 /nfs/dbraw/zinc/22/72/55/532227255.db2.gz BGHBVRHUSBWKPQ-RISCZKNCSA-N 1 0 376.258 2.460 20 0 GDADRO COC(=O)c1ccccc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000274716007 532227634 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GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333422447 532233281 /nfs/dbraw/zinc/23/32/81/532233281.db2.gz SSVOQODIFBIHGR-OLZOCXBDSA-N 1 0 395.301 1.947 20 0 GDADRO COc1c(Br)cccc1C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000274795465 532233759 /nfs/dbraw/zinc/23/37/59/532233759.db2.gz NMFXCTXZWCNLAL-LBPRGKRZSA-N 1 0 377.304 1.971 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333410870 532233756 /nfs/dbraw/zinc/23/37/56/532233756.db2.gz ZVRLTEUISQDTJJ-LLVKDONJSA-N 1 0 384.278 1.636 20 0 GDADRO Cc1cc(C(=O)N2CCO[C@@H](C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000376941778 532235035 /nfs/dbraw/zinc/23/50/35/532235035.db2.gz SXUAQRYABLFKJQ-AWEZNQCLSA-N 1 0 379.258 1.743 20 0 GDADRO O=c1n(CC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)nc2ccccn12 ZINC000428990671 532221073 /nfs/dbraw/zinc/22/10/73/532221073.db2.gz IKWKDADOIOWLRB-AWEZNQCLSA-N 1 0 395.232 1.721 20 0 GDADRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc(I)cc32)CC[C@@H]1[NH3+] ZINC000429188370 532224891 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COc1ccc(Br)c(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000275841734 532311936 /nfs/dbraw/zinc/31/19/36/532311936.db2.gz MMFYKFHSWDPZEI-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO CSc1nnc(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)s1 ZINC000275900277 532314044 /nfs/dbraw/zinc/31/40/44/532314044.db2.gz QVGUVDCZQMQPKI-UHFFFAOYSA-N 1 0 377.539 1.937 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000275917990 532314364 /nfs/dbraw/zinc/31/43/64/532314364.db2.gz SQNJIBYZKUCBQY-UHFFFAOYSA-N 1 0 394.216 1.408 20 0 GDADRO C[NH+](C)C1(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)CCC1 ZINC000275974455 532316750 /nfs/dbraw/zinc/31/67/50/532316750.db2.gz MAGQCZFPTDGAKI-UHFFFAOYSA-N 1 0 396.285 1.775 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2c(C)csc2C(=O)OC)CCN1C[C@@H](C)O ZINC000276061396 532318682 /nfs/dbraw/zinc/31/86/82/532318682.db2.gz QCLPOULUFGIHHZ-OLZOCXBDSA-N 1 0 390.527 1.309 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2c(C)csc2C(=O)OC)CCN1C[C@H](C)O ZINC000276061400 532318707 /nfs/dbraw/zinc/31/87/07/532318707.db2.gz 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ZINC000736856994 598948397 /nfs/dbraw/zinc/94/83/97/598948397.db2.gz QDLDBPCSAFXBJS-UHFFFAOYSA-N 1 0 390.391 1.258 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@@H]1CCCN1Cc1ccccc1)C2 ZINC000738432763 598963452 /nfs/dbraw/zinc/96/34/52/598963452.db2.gz LNAIJCMBPCVLQP-IRXDYDNUSA-N 1 0 393.499 1.359 20 0 GDADRO C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110364 598971138 /nfs/dbraw/zinc/97/11/38/598971138.db2.gz AXHQNTAUWHFFTI-KSSFIOAISA-N 1 0 399.499 1.870 20 0 GDADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000738117429 598973805 /nfs/dbraw/zinc/97/38/05/598973805.db2.gz SDHKDQVGXBGYRW-QGZVFWFLSA-N 1 0 385.472 1.309 20 0 GDADRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1(C)C ZINC000736611614 598993210 /nfs/dbraw/zinc/99/32/10/598993210.db2.gz JNSVMDDCWOFKIA-BHYGNILZSA-N 1 0 375.473 1.742 20 0 GDADRO CC[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000736349397 598990679 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ZXFITRVQFADBKX-UHFFFAOYSA-N 1 0 392.463 1.765 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000821585953 599141827 /nfs/dbraw/zinc/14/18/27/599141827.db2.gz CGCHGAWVHZNCBM-INIZCTEOSA-N 1 0 394.483 1.285 20 0 GDADRO C[C@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736114021 599146702 /nfs/dbraw/zinc/14/67/02/599146702.db2.gz UIJZOWQMKLXJFL-YJBOKZPZSA-N 1 0 398.515 1.349 20 0 GDADRO COc1ccnc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737155280 599161497 /nfs/dbraw/zinc/16/14/97/599161497.db2.gz GGMGYCMLCUDBGO-UHFFFAOYSA-N 1 0 381.440 1.474 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000821087674 599206102 /nfs/dbraw/zinc/20/61/02/599206102.db2.gz DVVAVLVXEKCDRK-CQSZACIVSA-N 1 0 388.472 1.444 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821160957 599213846 /nfs/dbraw/zinc/21/38/46/599213846.db2.gz SARLEWKAYJYPML-MAUKXSAKSA-N 1 0 383.500 1.636 20 0 GDADRO 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DNLHDCRCKZNMIH-UHFFFAOYSA-N 1 0 390.451 1.947 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000735836212 598325018 /nfs/dbraw/zinc/32/50/18/598325018.db2.gz VSXWTAAAEOOSLD-OAHLLOKOSA-N 1 0 391.451 1.162 20 0 GDADRO O=C1CN(C[NH+]2CCCCCCC2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738303209 598334979 /nfs/dbraw/zinc/33/49/79/598334979.db2.gz OIUAJCIGAVWZGO-UHFFFAOYSA-N 1 0 383.456 1.855 20 0 GDADRO Cc1nc(SCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737482669 598347188 /nfs/dbraw/zinc/34/71/88/598347188.db2.gz KKNZFQGVYVHUFT-AWEZNQCLSA-N 1 0 387.513 1.586 20 0 GDADRO CCn1ccnc1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736723362 598350132 /nfs/dbraw/zinc/35/01/32/598350132.db2.gz SMYPAPADYZIKHN-UHFFFAOYSA-N 1 0 384.463 1.930 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000735560738 598350681 /nfs/dbraw/zinc/35/06/81/598350681.db2.gz GRHZXBHLEPOJQQ-UONOGXRCSA-N 1 0 381.444 1.197 20 0 GDADRO CO[C@@H](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736957989 598362359 /nfs/dbraw/zinc/36/23/59/598362359.db2.gz LNOVUWNWLAXQLM-AWEZNQCLSA-N 1 0 375.477 1.365 20 0 GDADRO O=C(CC[N@@H+]1CCCN(c2cccnn2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737844005 598365449 /nfs/dbraw/zinc/36/54/49/598365449.db2.gz QBGJINUHUYDKAR-UHFFFAOYSA-N 1 0 393.455 1.198 20 0 GDADRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000735678441 598375212 /nfs/dbraw/zinc/37/52/12/598375212.db2.gz QWHGQWAMDFBIEK-UHFFFAOYSA-N 1 0 390.492 1.344 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736980283 598412772 /nfs/dbraw/zinc/41/27/72/598412772.db2.gz CBAQKKZQJBBFKS-UHFFFAOYSA-N 1 0 387.488 1.509 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000737896786 598416137 /nfs/dbraw/zinc/41/61/37/598416137.db2.gz YYLUGBBYYPZMBX-GOSISDBHSA-N 1 0 377.452 1.669 20 0 GDADRO C[N@H+](CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C(C1CC1)C1CC1 ZINC000736814965 598422936 /nfs/dbraw/zinc/42/29/36/598422936.db2.gz NTFIOEYXNUXCJO-HXUWFJFHSA-N 1 0 395.467 1.712 20 0 GDADRO CC(C)C[NH+]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735835933 598431134 /nfs/dbraw/zinc/43/11/34/598431134.db2.gz SMWRUNCIOCOTSO-UHFFFAOYSA-N 1 0 377.880 1.732 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738044495 598462835 /nfs/dbraw/zinc/46/28/35/598462835.db2.gz KIIQNSDKWSDISO-INIZCTEOSA-N 1 0 377.452 1.904 20 0 GDADRO NC(=O)[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(F)cc1 ZINC000737732564 598464426 /nfs/dbraw/zinc/46/44/26/598464426.db2.gz ZSHDJQFNNDSCMN-GOSISDBHSA-N 1 0 395.442 1.791 20 0 GDADRO O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000737793358 598465405 /nfs/dbraw/zinc/46/54/05/598465405.db2.gz XONOUZNKOHLVDT-OALUTQOASA-N 1 0 395.511 1.922 20 0 GDADRO O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000282254041 598471189 /nfs/dbraw/zinc/47/11/89/598471189.db2.gz SUCMXESGQMCYLA-GFCCVEGCSA-N 1 0 396.904 1.769 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738163248 598486104 /nfs/dbraw/zinc/48/61/04/598486104.db2.gz QLBFYBPYFWXAND-ZDUSSCGKSA-N 1 0 387.419 1.031 20 0 GDADRO NS(=O)(=O)c1ccc(CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000737767188 598491599 /nfs/dbraw/zinc/49/15/99/598491599.db2.gz ZLUKWERIFGVRIK-UHFFFAOYSA-N 1 0 398.492 1.721 20 0 GDADRO Cc1ncccc1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737502940 598496620 /nfs/dbraw/zinc/49/66/20/598496620.db2.gz PHHUPUJAWDGMLY-UHFFFAOYSA-N 1 0 377.452 1.918 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738024206 598498346 /nfs/dbraw/zinc/49/83/46/598498346.db2.gz JMGROJNLFRXFKA-WMZOPIPTSA-N 1 0 381.484 1.436 20 0 GDADRO Cc1oc(NC(=O)[C@@H](C)N2CCC([NH2+]C(C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000737548332 598506148 /nfs/dbraw/zinc/50/61/48/598506148.db2.gz OKGIOUPXNJERKE-GFCCVEGCSA-N 1 0 375.477 1.866 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@H](CN1CCCC1)c1ccccc1)C2 ZINC000738425137 598520520 /nfs/dbraw/zinc/52/05/20/598520520.db2.gz KSDIMWIGFKJMBF-CRAIPNDOSA-N 1 0 393.499 1.532 20 0 GDADRO O=C1CCCN1c1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000738304531 598522076 /nfs/dbraw/zinc/52/20/76/598522076.db2.gz NTRJGMDXKRRZTC-CQSZACIVSA-N 1 0 393.455 1.022 20 0 GDADRO CN(C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1 ZINC000736758876 598522916 /nfs/dbraw/zinc/52/29/16/598522916.db2.gz JHZBXWOJWFAJFQ-WBMJQRKESA-N 1 0 385.451 1.137 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)C2 ZINC000738429215 598526985 /nfs/dbraw/zinc/52/69/85/598526985.db2.gz VWNJGZISPCRITR-KYJSFNMBSA-N 1 0 394.483 1.862 20 0 GDADRO CC(C)COC[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccco1 ZINC000735837155 598527586 /nfs/dbraw/zinc/52/75/86/598527586.db2.gz GSZBWFCWRNRONP-ZFWWWQNUSA-N 1 0 386.460 1.701 20 0 GDADRO COc1ccccc1C1(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000737147736 598527962 /nfs/dbraw/zinc/52/79/62/598527962.db2.gz NZFWDTNFANMGOE-CYBMUJFWSA-N 1 0 380.456 1.435 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)C1CCCCC1 ZINC000736768160 598540108 /nfs/dbraw/zinc/54/01/08/598540108.db2.gz WMUBVYRKRZMQJT-UHFFFAOYSA-N 1 0 392.529 1.893 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](C2OCCO2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737843867 598552995 /nfs/dbraw/zinc/55/29/95/598552995.db2.gz NTOCPKYACBFEIX-LLVKDONJSA-N 1 0 378.458 1.342 20 0 GDADRO CNC(=O)c1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000736877069 598558338 /nfs/dbraw/zinc/55/83/38/598558338.db2.gz GZFPAMOWGYZLOM-UHFFFAOYSA-N 1 0 391.479 1.939 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735876192 598596026 /nfs/dbraw/zinc/59/60/26/598596026.db2.gz WVBLWLBFVOHGJN-MAUKXSAKSA-N 1 0 383.500 1.682 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736568416 598596275 /nfs/dbraw/zinc/59/62/75/598596275.db2.gz BLJITDOFRKKJSL-YJBOKZPZSA-N 1 0 383.500 1.684 20 0 GDADRO C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@@H+]2CCC[C@H]2C2CCC2)C1=O ZINC000736225136 598600241 /nfs/dbraw/zinc/60/02/41/598600241.db2.gz WESRPDDHLWDEMF-OXJNMPFZSA-N 1 0 395.467 1.856 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@H]1CN1CCOCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737842996 598622464 /nfs/dbraw/zinc/62/24/64/598622464.db2.gz GSKOCIDKNXSHJI-SFHVURJKSA-N 1 0 399.499 1.382 20 0 GDADRO O=C(c1cncc(O)c1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738282941 598625102 /nfs/dbraw/zinc/62/51/02/598625102.db2.gz FYZKBMHBRPUINM-UHFFFAOYSA-N 1 0 379.424 1.315 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000737879416 598673223 /nfs/dbraw/zinc/67/32/23/598673223.db2.gz UDWAWMHHVDTFFR-UHFFFAOYSA-N 1 0 375.864 1.265 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737007128 598690324 /nfs/dbraw/zinc/69/03/24/598690324.db2.gz KVMZVMDRBKOXGB-MRXNPFEDSA-N 1 0 388.472 1.253 20 0 GDADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)CCn1cc(Br)cn1 ZINC000736801342 598705323 /nfs/dbraw/zinc/70/53/23/598705323.db2.gz IJJDRGPAZATUSZ-UHFFFAOYSA-N 1 0 392.261 1.837 20 0 GDADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000735875051 598732004 /nfs/dbraw/zinc/73/20/04/598732004.db2.gz PAVNEEJAZGGXJS-KRWDZBQOSA-N 1 0 386.504 1.033 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000737008519 598732273 /nfs/dbraw/zinc/73/22/73/598732273.db2.gz VABNGDZEPHLUPW-SFHVURJKSA-N 1 0 399.499 1.652 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)/C=C/C1CCOCC1 ZINC000736767619 598753184 /nfs/dbraw/zinc/75/31/84/598753184.db2.gz RPDWDXYPRYKLOL-VMPITWQZSA-N 1 0 384.484 1.740 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736859914 598762056 /nfs/dbraw/zinc/76/20/56/598762056.db2.gz KCAOAKCATTWBFM-GJZGRUSLSA-N 1 0 387.419 1.030 20 0 GDADRO C[N@H+](CCNC(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1)C1CC1 ZINC000736800311 598783808 /nfs/dbraw/zinc/78/38/08/598783808.db2.gz JNHKWGGLLYOFDI-UHFFFAOYSA-N 1 0 384.488 1.183 20 0 GDADRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)CC2 ZINC000736133280 598787282 /nfs/dbraw/zinc/78/72/82/598787282.db2.gz REYJMUPHVVCDOX-OLZOCXBDSA-N 1 0 395.471 1.513 20 0 GDADRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)CC2 ZINC000736133279 598787389 /nfs/dbraw/zinc/78/73/89/598787389.db2.gz REYJMUPHVVCDOX-CHWSQXEVSA-N 1 0 395.471 1.513 20 0 GDADRO CC[NH+](CC)[C@H](C(=O)NCCNc1ncccc1-c1nn[nH]n1)c1ccccc1 ZINC000736535542 598808670 /nfs/dbraw/zinc/80/86/70/598808670.db2.gz YIKJZGZZHHVDEZ-KRWDZBQOSA-N 1 0 394.483 1.873 20 0 GDADRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736523770 598819029 /nfs/dbraw/zinc/81/90/29/598819029.db2.gz RBBTZNZUVXUBBM-INIZCTEOSA-N 1 0 385.472 1.528 20 0 GDADRO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000736408258 599300897 /nfs/dbraw/zinc/30/08/97/599300897.db2.gz RJXXTSAIESSCCK-DZGCQCFKSA-N 1 0 394.501 1.025 20 0 GDADRO Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822361667 599307202 /nfs/dbraw/zinc/30/72/02/599307202.db2.gz FIFJZKAWPYFOHN-UHFFFAOYSA-N 1 0 392.467 1.721 20 0 GDADRO O=C1C[C@H]([N@@H+]2CCC3(C2)CCOCC3)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000823519791 599309957 /nfs/dbraw/zinc/30/99/57/599309957.db2.gz IVOWSBNCLNKNEX-HNNXBMFYSA-N 1 0 382.424 1.001 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000737486800 599319239 /nfs/dbraw/zinc/31/92/39/599319239.db2.gz FFBFIHBAIONUSR-GFCCVEGCSA-N 1 0 397.487 1.059 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000821625423 599345785 /nfs/dbraw/zinc/34/57/85/599345785.db2.gz NJMVCASBBLOSRR-STQMWFEESA-N 1 0 380.449 1.253 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)[C@H](C)C1 ZINC000821253580 599347040 /nfs/dbraw/zinc/34/70/40/599347040.db2.gz HLQJNYBWWPQISE-YPMHNXCESA-N 1 0 398.920 1.871 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000821254121 599347751 /nfs/dbraw/zinc/34/77/51/599347751.db2.gz JXVMTVVSVKXDOX-NHYWBVRUSA-N 1 0 382.465 1.357 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000820752343 599347812 /nfs/dbraw/zinc/34/78/12/599347812.db2.gz MAZBUYIFOIZPMV-CMPLNLGQSA-N 1 0 384.893 1.481 20 0 GDADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821636502 599366041 /nfs/dbraw/zinc/36/60/41/599366041.db2.gz SNEZVNCXAIRVNL-CYBMUJFWSA-N 1 0 386.481 1.767 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000821614759 599370591 /nfs/dbraw/zinc/37/05/91/599370591.db2.gz UFYXGZRAQUDICG-MRXNPFEDSA-N 1 0 398.492 1.762 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821189507 599372197 /nfs/dbraw/zinc/37/21/97/599372197.db2.gz NICOVDRWEQFPAT-GFCCVEGCSA-N 1 0 382.465 1.358 20 0 GDADRO NC(C[NH+]1CCCCCC1)=NOCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822889699 599385256 /nfs/dbraw/zinc/38/52/56/599385256.db2.gz BTHQNGMIGJBPKM-UHFFFAOYSA-N 1 0 397.443 1.791 20 0 GDADRO COc1cc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)ccc1OCC(N)=O ZINC000821717682 599395561 /nfs/dbraw/zinc/39/55/61/599395561.db2.gz TZYSIIUHZZGYSF-LBPRGKRZSA-N 1 0 382.424 1.590 20 0 GDADRO COc1ccc(C[NH2+]CCS(=O)(=O)Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000821814063 599415825 /nfs/dbraw/zinc/41/58/25/599415825.db2.gz UABFSKMBFZHXKU-UHFFFAOYSA-N 1 0 387.465 1.580 20 0 GDADRO CC(C)OC(=O)N1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000735894392 599489958 /nfs/dbraw/zinc/48/99/58/599489958.db2.gz IGBMHZLANXJDDO-UHFFFAOYSA-N 1 0 384.444 1.613 20 0 GDADRO COC1CCN(C(C)(C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736962045 599491133 /nfs/dbraw/zinc/49/11/33/599491133.db2.gz NWSBZODCRANKDC-UHFFFAOYSA-N 1 0 384.488 1.493 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](CC(C)(C)O)CC1 ZINC000822204502 599518744 /nfs/dbraw/zinc/51/87/44/599518744.db2.gz QZDHKWXRNSOFEO-UHFFFAOYSA-N 1 0 385.447 1.755 20 0 GDADRO C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820751824 599535987 /nfs/dbraw/zinc/53/59/87/599535987.db2.gz ICELISMOQDXKOM-UKRRQHHQSA-N 1 0 391.907 1.361 20 0 GDADRO c1cn(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738405523 599579891 /nfs/dbraw/zinc/57/98/91/599579891.db2.gz RAWSWZCZYUWYCD-MRXNPFEDSA-N 1 0 381.440 1.773 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1-c1nn[nH]n1 ZINC000822318959 599598440 /nfs/dbraw/zinc/59/84/40/599598440.db2.gz DAXRRVVJGOJVRJ-MRXNPFEDSA-N 1 0 399.499 1.740 20 0 GDADRO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738075960 599613548 /nfs/dbraw/zinc/61/35/48/599613548.db2.gz SZXGZPVBYAKXDF-INIZCTEOSA-N 1 0 399.503 1.334 20 0 GDADRO CC[C@@H](COC)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736353217 599613963 /nfs/dbraw/zinc/61/39/63/599613963.db2.gz OFJHOPXCHUOBES-INIZCTEOSA-N 1 0 375.477 1.365 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964349 599638881 /nfs/dbraw/zinc/63/88/81/599638881.db2.gz HDERASJFIUMQFN-QGZVFWFLSA-N 1 0 397.483 1.672 20 0 GDADRO O=C1[C@H](N2CC[C@H](C[NH+]3CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504477 599642141 /nfs/dbraw/zinc/64/21/41/599642141.db2.gz QPJUQQNEPGDAHS-VQIMIIECSA-N 1 0 395.511 1.780 20 0 GDADRO Cc1nc(SCC(=O)NCC[N@H+]2CC[C@H](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000822454429 599657596 /nfs/dbraw/zinc/65/75/96/599657596.db2.gz WXYFABUVMKHSAK-NSHDSACASA-N 1 0 389.529 1.737 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2sccc2-c2nn[nH]n2)CC1 ZINC000820128012 599659372 /nfs/dbraw/zinc/65/93/72/599659372.db2.gz NKAJJYQSVKARIF-UHFFFAOYSA-N 1 0 378.458 1.074 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)NCCSCc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820657747 599666040 /nfs/dbraw/zinc/66/60/40/599666040.db2.gz MTEPKGQCAFVRGV-HIFRSBDPSA-N 1 0 389.529 1.882 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821582864 599672235 /nfs/dbraw/zinc/67/22/35/599672235.db2.gz AIPANASCXBVXOX-QGZVFWFLSA-N 1 0 397.458 1.978 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N(CCOC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821266719 599675923 /nfs/dbraw/zinc/67/59/23/599675923.db2.gz GPLZYRXVDDJJQJ-KRWDZBQOSA-N 1 0 387.488 1.509 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820683551 599695796 /nfs/dbraw/zinc/69/57/96/599695796.db2.gz CYIULAYTKQWPLJ-IYBDPMFKSA-N 1 0 383.500 1.384 20 0 GDADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000824777975 607429927 /nfs/dbraw/zinc/42/99/27/607429927.db2.gz LXYUHTQQZDQMNP-ZDUSSCGKSA-N 1 0 378.440 1.612 20 0 GDADRO CC(=O)N1CCCN([C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2C)CC1 ZINC000819796280 607444162 /nfs/dbraw/zinc/44/41/62/607444162.db2.gz DARILDFCDFBOJH-CZUORRHYSA-N 1 0 389.529 1.303 20 0 GDADRO CC[C@H](C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)[NH+](CC)CC ZINC000736850649 600566419 /nfs/dbraw/zinc/56/64/19/600566419.db2.gz XOYWDHXCPIHFIM-GOSISDBHSA-N 1 0 376.501 1.952 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1cccc(F)n1 ZINC000825865989 607461454 /nfs/dbraw/zinc/46/14/54/607461454.db2.gz OQUWPMCZVHTHHV-UHFFFAOYSA-N 1 0 398.446 1.674 20 0 GDADRO CN(c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1)S(C)(=O)=O ZINC000821618912 607480821 /nfs/dbraw/zinc/48/08/21/607480821.db2.gz AXCSGEANQIUEQT-UHFFFAOYSA-N 1 0 390.444 1.691 20 0 GDADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)c(C)o1 ZINC000826259597 607494832 /nfs/dbraw/zinc/49/48/32/607494832.db2.gz XEBRCEFRBXFCLK-UHFFFAOYSA-N 1 0 381.440 1.866 20 0 GDADRO COc1ccc(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1-c1nn[nH]n1 ZINC000826192129 607501327 /nfs/dbraw/zinc/50/13/27/607501327.db2.gz AKOMIBBXEBMLDN-LBPRGKRZSA-N 1 0 384.362 1.470 20 0 GDADRO O=C(COc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823031905 607502708 /nfs/dbraw/zinc/50/27/08/607502708.db2.gz JGESBUCBCJVBJK-QAPCUYQASA-N 1 0 382.468 1.721 20 0 GDADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)nc2)C1 ZINC000821583415 607506394 /nfs/dbraw/zinc/50/63/94/607506394.db2.gz UVPXRVNBGUOSAT-CQSZACIVSA-N 1 0 379.428 1.049 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476127 607527834 /nfs/dbraw/zinc/52/78/34/607527834.db2.gz BEOQDNBFFVFZEJ-LZLYRXPVSA-N 1 0 382.468 1.721 20 0 GDADRO C[NH+](C)CC1CCC(NS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825859547 607549729 /nfs/dbraw/zinc/54/97/29/607549729.db2.gz GPJYHJVQTBRTHM-UHFFFAOYSA-N 1 0 378.502 1.407 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1-c1nn[nH]n1 ZINC000826301642 607550550 /nfs/dbraw/zinc/55/05/50/607550550.db2.gz LEPIXDQUBFPBHW-ZIAGYGMSSA-N 1 0 376.486 1.280 20 0 GDADRO O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000740367081 602527531 /nfs/dbraw/zinc/52/75/31/602527531.db2.gz DWWNSIRXMZRNJV-ROUUACIJSA-N 1 0 378.517 1.726 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1-c1nn[nH]n1 ZINC000826302228 607587570 /nfs/dbraw/zinc/58/75/70/607587570.db2.gz CUELHRIEQZNYIA-ZIAGYGMSSA-N 1 0 378.502 1.716 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000825285302 607601521 /nfs/dbraw/zinc/60/15/21/607601521.db2.gz PKZUYDIJGQHDLW-AWEZNQCLSA-N 1 0 378.502 1.800 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000825000452 607614811 /nfs/dbraw/zinc/61/48/11/607614811.db2.gz QQRXJSADIDFNDD-ZYHUDNBSSA-N 1 0 382.877 1.377 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(OC)c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000825453232 607626078 /nfs/dbraw/zinc/62/60/78/607626078.db2.gz UPPHTFSCIVSXPI-CJNGLKHVSA-N 1 0 387.488 1.747 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000826182684 607635547 /nfs/dbraw/zinc/63/55/47/607635547.db2.gz QURHTTCMQGZUGK-LBPRGKRZSA-N 1 0 382.428 1.077 20 0 GDADRO 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ZINC000529309005 649939716 /nfs/dbraw/zinc/93/97/16/649939716.db2.gz XJRVQOXYLIOFHI-CHWSQXEVSA-N 1 0 383.290 1.315 20 0 GDADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)CC1 ZINC000825860063 607680296 /nfs/dbraw/zinc/68/02/96/607680296.db2.gz LIKMICBJEMZSPF-UHFFFAOYSA-N 1 0 398.920 1.919 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(Br)c(F)c2F)CCO1 ZINC000529371167 649941836 /nfs/dbraw/zinc/94/18/36/649941836.db2.gz WQMAUJVUECACKK-KWQFWETISA-N 1 0 378.217 1.985 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000826245823 607686736 /nfs/dbraw/zinc/68/67/36/607686736.db2.gz JBWLOUYOWSJWFK-KRWDZBQOSA-N 1 0 383.500 1.417 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C[C@H](C)[N@H+]1C ZINC000529429004 649944809 /nfs/dbraw/zinc/94/48/09/649944809.db2.gz DLGPCYSWTCPOEG-PHIMTYICSA-N 1 0 377.869 1.308 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000529440723 649945297 /nfs/dbraw/zinc/94/52/97/649945297.db2.gz 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CC(C)[NH2+][C@@H]1CCCN([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000820137874 606320149 /nfs/dbraw/zinc/32/01/49/606320149.db2.gz OXOHQWZMLOBULQ-OCCSQVGLSA-N 1 0 375.502 1.496 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@H](Cn3cncn3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823505012 606323660 /nfs/dbraw/zinc/32/36/60/606323660.db2.gz WVZSGJRZAGQNTG-JSGCOSHPSA-N 1 0 399.484 1.037 20 0 GDADRO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821000948 606331643 /nfs/dbraw/zinc/33/16/43/606331643.db2.gz MPUGSCIOXORDGN-KURKYZTESA-N 1 0 386.500 1.555 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@]3(CCCOC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504645 606333207 /nfs/dbraw/zinc/33/32/07/606333207.db2.gz SKPYVEZPKRFMSE-KSSFIOAISA-N 1 0 388.497 1.926 20 0 GDADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000821588596 606395442 /nfs/dbraw/zinc/39/54/42/606395442.db2.gz ZRMMSCUPFMXFSV-UHFFFAOYSA-N 1 0 397.414 1.322 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC1 ZINC000820684152 606461828 /nfs/dbraw/zinc/46/18/28/606461828.db2.gz MOVJRGAIRBBDHF-OKILXGFUSA-N 1 0 390.923 1.910 20 0 GDADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)s1 ZINC000823183334 606493147 /nfs/dbraw/zinc/49/31/47/606493147.db2.gz UXYAJIMNDKZMLQ-CQSZACIVSA-N 1 0 384.465 1.559 20 0 GDADRO COC[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821684769 606520890 /nfs/dbraw/zinc/52/08/90/606520890.db2.gz KCVCUPDYUPNLGE-LLVKDONJSA-N 1 0 376.486 1.856 20 0 GDADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC000819858144 606628010 /nfs/dbraw/zinc/62/80/10/606628010.db2.gz ZSGVNXABSGTZSY-CQSZACIVSA-N 1 0 382.472 1.294 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C12CCCCC2 ZINC000821357998 606628011 /nfs/dbraw/zinc/62/80/11/606628011.db2.gz GOUHWDONPWMNDA-NUEKZKHPSA-N 1 0 386.504 1.822 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1C 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MDCHNYKAGGVZQR-UHFFFAOYSA-N 1 0 394.483 1.324 20 0 GDADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl)[NH+](C)C ZINC000820055002 606734007 /nfs/dbraw/zinc/73/40/07/606734007.db2.gz FOXYFGQWFXBWNE-LBPRGKRZSA-N 1 0 393.879 1.551 20 0 GDADRO c1cc(N2CCN(Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)CC2)cc[nH+]1 ZINC000823757072 606751449 /nfs/dbraw/zinc/75/14/49/606751449.db2.gz KZIRMJPEUAXKKL-UHFFFAOYSA-N 1 0 389.423 1.634 20 0 GDADRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821638836 606770389 /nfs/dbraw/zinc/77/03/89/606770389.db2.gz JGKWYNCXSZTYTL-ACJLOTCBSA-N 1 0 394.435 1.945 20 0 GDADRO COC(=O)N1CCC([NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000821664754 606770567 /nfs/dbraw/zinc/77/05/67/606770567.db2.gz HUDPSPPEQLYCRZ-UHFFFAOYSA-N 1 0 385.472 1.656 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCOc1ccccc1 ZINC000820788231 606779874 /nfs/dbraw/zinc/77/98/74/606779874.db2.gz BEBAHIWMJHBIER-HNNXBMFYSA-N 1 0 380.456 1.636 20 0 GDADRO 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BPIFORMESLQFCD-UHFFFAOYSA-N 1 0 385.497 1.893 20 0 GDADRO O=C1C[C@@H]([N@@H+]2CC[C@@H](C3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000826478457 607843263 /nfs/dbraw/zinc/84/32/63/607843263.db2.gz BTUCCGCBQNHHOA-NVXWUHKLSA-N 1 0 396.451 1.247 20 0 GDADRO O=C1[C@H]([N@@H+]2CC[C@H](C3CCOCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000826477209 607859170 /nfs/dbraw/zinc/85/91/70/607859170.db2.gz XUVCXYKZWADLIC-DZGCQCFKSA-N 1 0 388.497 1.782 20 0 GDADRO COCCOC1CC[NH+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)CC1 ZINC000826160394 607923887 /nfs/dbraw/zinc/92/38/87/607923887.db2.gz QDWRIAWOZGNLQM-UHFFFAOYSA-N 1 0 375.429 1.281 20 0 GDADRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C1 ZINC000826051186 607935637 /nfs/dbraw/zinc/93/56/37/607935637.db2.gz JASYITDNEUAFFV-INIZCTEOSA-N 1 0 385.453 1.113 20 0 GDADRO COc1ccc(OC)c(CCC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826211075 607983999 /nfs/dbraw/zinc/98/39/99/607983999.db2.gz OJKOVBUJOBLZOK-GOSISDBHSA-N 1 0 396.451 1.633 20 0 GDADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3O)c2)CC1 ZINC000826038009 607998439 /nfs/dbraw/zinc/99/84/39/607998439.db2.gz FYBVVNFBEHWZAH-UHFFFAOYSA-N 1 0 393.451 1.572 20 0 GDADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000826133405 608003124 /nfs/dbraw/zinc/00/31/24/608003124.db2.gz LTYGMJLUJPIPSH-AUUYWEPGSA-N 1 0 389.456 1.966 20 0 GDADRO CS[C@H]1CN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1[NH+](C)C ZINC000826226539 608015610 /nfs/dbraw/zinc/01/56/10/608015610.db2.gz BKEUHOYCYOHGQQ-KBPBESRZSA-N 1 0 378.527 1.463 20 0 GDADRO CC(C)N1CC[NH+](C2CCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)CC2)CC1 ZINC000824300940 608017891 /nfs/dbraw/zinc/01/78/91/608017891.db2.gz NNCCIWLVDHESRJ-UHFFFAOYSA-N 1 0 396.543 1.745 20 0 GDADRO CC[C@H](Nc1ccccc1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825148693 608020319 /nfs/dbraw/zinc/02/03/19/608020319.db2.gz SAGCNEYUHZEZJB-ZDUSSCGKSA-N 1 0 383.460 1.571 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2csc(C)n2)c1-c1nn[nH]n1 ZINC000826077119 608020406 /nfs/dbraw/zinc/02/04/06/608020406.db2.gz ANURGPAHVZXZRV-UHFFFAOYSA-N 1 0 375.462 1.078 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(NC(C)C)nc2)c1-c1nn[nH]n1 ZINC000826082875 608020510 /nfs/dbraw/zinc/02/05/10/608020510.db2.gz CPKOVAPMOODDML-UHFFFAOYSA-N 1 0 384.448 1.209 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(Cl)c2F)c1-c1nn[nH]n1 ZINC000826084224 608020958 /nfs/dbraw/zinc/02/09/58/608020958.db2.gz VPLZHGVFTOOWGI-UHFFFAOYSA-N 1 0 378.799 1.787 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CSc2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000826077183 608021335 /nfs/dbraw/zinc/02/13/35/608021335.db2.gz CTXSPEBYJMKGON-UHFFFAOYSA-N 1 0 390.448 1.612 20 0 GDADRO CCCOc1cccc(CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)c1 ZINC000825342167 608021791 /nfs/dbraw/zinc/02/17/91/608021791.db2.gz PIXYGCOMMXNBQH-UHFFFAOYSA-N 1 0 398.471 1.712 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCc3sccc32)c1-c1nn[nH]n1 ZINC000826077823 608022242 /nfs/dbraw/zinc/02/22/42/608022242.db2.gz XAFXZRDEXARAMO-NSHDSACASA-N 1 0 386.485 1.862 20 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O[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)c(F)c1 ZINC000826502968 608101706 /nfs/dbraw/zinc/10/17/06/608101706.db2.gz NMWLBQIGBCHXRG-LKFCYVNXSA-N 1 0 392.826 1.221 20 0 GDADRO C[NH+](C)CCOc1cc(CNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)ccn1 ZINC000825870299 608103264 /nfs/dbraw/zinc/10/32/64/608103264.db2.gz FTNHHNOASDCOMS-UHFFFAOYSA-N 1 0 395.467 1.451 20 0 GDADRO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826220058 608111032 /nfs/dbraw/zinc/11/10/32/608111032.db2.gz ASNVZYCNYMRLHD-FZKQIMNGSA-N 1 0 396.451 1.706 20 0 GDADRO C[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824967427 608121342 /nfs/dbraw/zinc/12/13/42/608121342.db2.gz JUXLOOBPEKRALN-ZUZVGCLLSA-N 1 0 395.511 1.364 20 0 GDADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+]1CCCCC1 ZINC000824400378 608145874 /nfs/dbraw/zinc/14/58/74/608145874.db2.gz GKGXXXRLMZBHHR-LBPRGKRZSA-N 1 0 389.435 1.325 20 0 GDADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824400852 608146149 /nfs/dbraw/zinc/14/61/49/608146149.db2.gz LSGCZUYYVGYDRP-GFCCVEGCSA-N 1 0 389.435 1.325 20 0 GDADRO C[C@@H]1CN(c2c(F)cc(-c3nn[nH]n3)cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824991874 608149990 /nfs/dbraw/zinc/14/99/90/608149990.db2.gz HTEDLTIBPAEEJR-MLGOLLRUSA-N 1 0 377.443 1.607 20 0 GDADRO CCC(CC)(C[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OC ZINC000825089279 608167886 /nfs/dbraw/zinc/16/78/86/608167886.db2.gz BPXIPANSVDUOBP-UHFFFAOYSA-N 1 0 395.485 1.209 20 0 GDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824859959 608210417 /nfs/dbraw/zinc/21/04/17/608210417.db2.gz SEFKMHZXGSGUHC-VXGBXAGGSA-N 1 0 377.880 1.873 20 0 GDADRO CCCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC000825356651 608268989 /nfs/dbraw/zinc/26/89/89/608268989.db2.gz CHHUGHSRDWEVPY-UHFFFAOYSA-N 1 0 383.460 1.072 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826413002 608279080 /nfs/dbraw/zinc/27/90/80/608279080.db2.gz MLPOJDBYWVAPBK-UHFFFAOYSA-N 1 0 392.467 1.706 20 0 GDADRO Cc1nn(-c2ccccc2)c(CN2CCO[C@H](C[NH+](C)C)C2)c1-c1nn[nH]n1 ZINC000826332290 608313383 /nfs/dbraw/zinc/31/33/83/608313383.db2.gz PHVOXHMHKNPBSQ-MRXNPFEDSA-N 1 0 382.472 1.123 20 0 GDADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](OCCO)C2)c1-c1nn[nH]n1 ZINC000826332294 608313513 /nfs/dbraw/zinc/31/35/13/608313513.db2.gz PIKXQTLFXFYWGZ-INIZCTEOSA-N 1 0 383.456 1.334 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000826328645 608318612 /nfs/dbraw/zinc/31/86/12/608318612.db2.gz YMUOQACIJBVHBM-UHFFFAOYSA-N 1 0 397.487 1.011 20 0 GDADRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826321608 608320994 /nfs/dbraw/zinc/32/09/94/608320994.db2.gz JJLKXSHRVZABMW-RDJZCZTQSA-N 1 0 383.456 1.783 20 0 GDADRO O=C(C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410498 608326655 /nfs/dbraw/zinc/32/66/55/608326655.db2.gz PEURDVUVYSSTQP-IRXDYDNUSA-N 1 0 384.484 1.622 20 0 GDADRO CN1CCN(S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)c2c[nH+]ccc21 ZINC000826038400 608337896 /nfs/dbraw/zinc/33/78/96/608337896.db2.gz MYRFWGUKQLPELV-UHFFFAOYSA-N 1 0 389.416 1.187 20 0 GDADRO CCn1ccnc1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000825805191 608357822 /nfs/dbraw/zinc/35/78/22/608357822.db2.gz WWXQFKAVKBQYJY-UHFFFAOYSA-N 1 0 396.499 1.800 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000826167847 608358541 /nfs/dbraw/zinc/35/85/41/608358541.db2.gz STVGSPYZRUQVOP-INIZCTEOSA-N 1 0 380.456 1.766 20 0 GDADRO Cc1nc(CN2CCC[C@@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3F)C2)no1 ZINC000826326033 608392791 /nfs/dbraw/zinc/39/27/91/608392791.db2.gz WIEDRURHIXPFBX-CQSZACIVSA-N 1 0 386.435 1.794 20 0 GDADRO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)nn1 ZINC000825909467 608413855 /nfs/dbraw/zinc/41/38/55/608413855.db2.gz YSKXXBQVJVGNKI-SFHVURJKSA-N 1 0 394.483 1.539 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2c(Cl)cccc2-c2nn[nH]n2)CC1 ZINC000826390039 608436568 /nfs/dbraw/zinc/43/65/68/608436568.db2.gz OLFNDGPQMDEXST-CQSZACIVSA-N 1 0 375.864 1.439 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826188522 608472634 /nfs/dbraw/zinc/47/26/34/608472634.db2.gz ZHHLDMUABNJHHB-CJNGLKHVSA-N 1 0 399.451 1.974 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2F)cc1 ZINC000826090953 608473296 /nfs/dbraw/zinc/47/32/96/608473296.db2.gz RZBROIJOELEJAP-LLVKDONJSA-N 1 0 390.444 1.765 20 0 GDADRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826197327 608480701 /nfs/dbraw/zinc/48/07/01/608480701.db2.gz KOTDVPWTMQCDNO-ZDUSSCGKSA-N 1 0 396.451 1.851 20 0 GDADRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826219764 608490186 /nfs/dbraw/zinc/49/01/86/608490186.db2.gz PTGAAHATIBVSFV-CQSZACIVSA-N 1 0 380.452 1.885 20 0 GDADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCCCC1 ZINC000824478185 608490526 /nfs/dbraw/zinc/49/05/26/608490526.db2.gz FQTCFJDLODXYKM-UONOGXRCSA-N 1 0 385.472 1.035 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc2c(c1)CC(=O)N2C ZINC000824564522 608494659 /nfs/dbraw/zinc/49/46/59/608494659.db2.gz VDTMSUGKNVDNDY-JTQLQIEISA-N 1 0 397.464 1.736 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000826521388 608507952 /nfs/dbraw/zinc/50/79/52/608507952.db2.gz KHEWSFSWBUUJPC-UHFFFAOYSA-N 1 0 388.479 1.875 20 0 GDADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@H]2[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000826517778 608513080 /nfs/dbraw/zinc/51/30/80/608513080.db2.gz OIUXCTCQTAMVGX-AZUAARDMSA-N 1 0 397.527 1.240 20 0 GDADRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)cn1 ZINC000826362259 608522040 /nfs/dbraw/zinc/52/20/40/608522040.db2.gz KIRKXLFDDYXSGD-SJORKVTESA-N 1 0 378.440 1.373 20 0 GDADRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)cn1 ZINC000826362257 608522109 /nfs/dbraw/zinc/52/21/09/608522109.db2.gz KIRKXLFDDYXSGD-IAGOWNOFSA-N 1 0 378.440 1.373 20 0 GDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826455738 608551731 /nfs/dbraw/zinc/55/17/31/608551731.db2.gz BSOKMSZHYSCPNZ-UHFFFAOYSA-N 1 0 375.352 1.025 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc([S@](C)=O)cc1 ZINC000824564495 608579044 /nfs/dbraw/zinc/57/90/44/608579044.db2.gz URIFMZIQTFUZNH-SKVICXGVSA-N 1 0 390.494 1.955 20 0 GDADRO COc1c(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c(C)nn1C ZINC000826166883 608584501 /nfs/dbraw/zinc/58/45/01/608584501.db2.gz GCKFYJAKGHUFNF-UHFFFAOYSA-N 1 0 382.472 1.630 20 0 GDADRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@@H](C)O1 ZINC000824984663 608635765 /nfs/dbraw/zinc/63/57/65/608635765.db2.gz LVZIKQOIXSFBMS-BFYDXBDKSA-N 1 0 396.499 1.588 20 0 GDADRO CC(C)[C@H](C(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1)[NH+](C)C ZINC000824185294 608640944 /nfs/dbraw/zinc/64/09/44/608640944.db2.gz UZOBHCNARKAXGK-VMBOVVBDSA-N 1 0 387.488 1.654 20 0 GDADRO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)no1 ZINC000826325487 608664101 /nfs/dbraw/zinc/66/41/01/608664101.db2.gz ZHTWJIHRWYMYIR-ZDUSSCGKSA-N 1 0 379.428 1.661 20 0 GDADRO CCC[NH+]1CCC(NC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)CC1 ZINC000825328644 609140456 /nfs/dbraw/zinc/14/04/56/609140456.db2.gz VVSUACSHKKKPPA-UHFFFAOYSA-N 1 0 394.483 1.965 20 0 GDADRO CN(C)c1ncc(C[N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000825914450 609140564 /nfs/dbraw/zinc/14/05/64/609140564.db2.gz FYFXACYRVRBOSQ-UHFFFAOYSA-N 1 0 381.444 1.183 20 0 GDADRO CNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)o1 ZINC000530590407 649979344 /nfs/dbraw/zinc/97/93/44/649979344.db2.gz DQRPOCRJIKTDIU-CYBMUJFWSA-N 1 0 385.873 1.874 20 0 GDADRO Cc1cc(C(=O)N[C@H](C[NH+](C)C)C(C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258512 609157017 /nfs/dbraw/zinc/15/70/17/609157017.db2.gz NJOPEXFMPMGETK-QGZVFWFLSA-N 1 0 382.472 1.677 20 0 GDADRO COc1cccc([C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[NH+]2CCCC2)c1 ZINC000826214706 609191375 /nfs/dbraw/zinc/19/13/75/609191375.db2.gz UUUHBWCXWVOCDE-KRWDZBQOSA-N 1 0 381.440 1.770 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000824555045 609238765 /nfs/dbraw/zinc/23/87/65/609238765.db2.gz UINISSXHGFZSTF-GRDNDAEWSA-N 1 0 392.529 1.966 20 0 GDADRO C[N@H+](CCNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1 ZINC000825937638 609244145 /nfs/dbraw/zinc/24/41/45/609244145.db2.gz FKZQBZMANLYISD-KRWDZBQOSA-N 1 0 384.415 1.287 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(C)=O)cc2F)c1-c1nn[nH]n1 ZINC000826084310 609267610 /nfs/dbraw/zinc/26/76/10/609267610.db2.gz YNZFYEXATZJLJF-UHFFFAOYSA-N 1 0 386.391 1.336 20 0 GDADRO CN(C)C(=O)N1CC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C(C)(C)C1 ZINC000825846304 609283551 /nfs/dbraw/zinc/28/35/51/609283551.db2.gz VQPBXGXIMXJGFO-UHFFFAOYSA-N 1 0 387.488 1.713 20 0 GDADRO Cc1noc(C2(C)CC[NH+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826339917 609297735 /nfs/dbraw/zinc/29/77/35/609297735.db2.gz ZMBWMMBJVIRYLX-UHFFFAOYSA-N 1 0 396.455 1.940 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824640768 609318335 /nfs/dbraw/zinc/31/83/35/609318335.db2.gz OHBSUEABGOIWQY-UKRRQHHQSA-N 1 0 390.513 1.798 20 0 GDADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C1 ZINC000825444801 609363475 /nfs/dbraw/zinc/36/34/75/609363475.db2.gz REQSZEUYRVAMIS-DGCLKSJQSA-N 1 0 399.434 1.653 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 ZINC000825412062 609408231 /nfs/dbraw/zinc/40/82/31/609408231.db2.gz IZAJYEFTURSKNQ-UHFFFAOYSA-N 1 0 396.455 1.519 20 0 GDADRO C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824514222 609456654 /nfs/dbraw/zinc/45/66/54/609456654.db2.gz NIADEDIFVLQBKJ-YOEHRIQHSA-N 1 0 377.452 1.902 20 0 GDADRO [NH2+]=C(NOCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000826388242 609500381 /nfs/dbraw/zinc/50/03/81/609500381.db2.gz OMKRVTQCVBMQOD-GOSISDBHSA-N 1 0 393.451 1.766 20 0 GDADRO Cc1ccnc(N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1-c1nn[nH]n1 ZINC000826312146 609547700 /nfs/dbraw/zinc/54/77/00/609547700.db2.gz WTROEKGSOTYKQN-QGZVFWFLSA-N 1 0 378.484 1.971 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C[C@@H]1C ZINC000825443834 609605120 /nfs/dbraw/zinc/60/51/20/609605120.db2.gz GWZOTHWYOOIXOT-GJZGRUSLSA-N 1 0 394.483 1.916 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000531512033 649992833 /nfs/dbraw/zinc/99/28/33/649992833.db2.gz DRTJSNQKUKZFCG-MRXNPFEDSA-N 1 0 381.567 1.995 20 0 GDADRO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000531958943 650002403 /nfs/dbraw/zinc/00/24/03/650002403.db2.gz BGAUEIPIRIAJSN-OSAQELSMSA-N 1 0 390.265 1.571 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532775528 650033227 /nfs/dbraw/zinc/03/32/27/650033227.db2.gz VQVIYXJHDKQUBU-UHFFFAOYSA-N 1 0 375.516 1.671 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000534411640 650220815 /nfs/dbraw/zinc/22/08/15/650220815.db2.gz MREKBARUAXERIH-UHFFFAOYSA-N 1 0 382.885 1.181 20 0 GDADRO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)[C@@H]1c1ccccc1 ZINC000534756748 650229865 /nfs/dbraw/zinc/22/98/65/650229865.db2.gz LFVAUACRUOESNA-PBHICJAKSA-N 1 0 379.507 1.500 20 0 GDADRO O=c1n2ccccc2nn1CC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000541056009 650377185 /nfs/dbraw/zinc/37/71/85/650377185.db2.gz WDZQORBXCCFWFA-CQSZACIVSA-N 1 0 377.242 1.582 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000541094183 650377711 /nfs/dbraw/zinc/37/77/11/650377711.db2.gz NQCIHACRCIQPFH-SECBINFHSA-N 1 0 380.242 1.747 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000541310003 650381468 /nfs/dbraw/zinc/38/14/68/650381468.db2.gz KJSIJDKQVGJRHQ-UONOGXRCSA-N 1 0 380.482 1.997 20 0 GDADRO O=S1(=O)CCO[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000542840663 650414013 /nfs/dbraw/zinc/41/40/13/650414013.db2.gz IJAJJKZSWGSQIZ-CQSZACIVSA-N 1 0 390.908 1.847 20 0 GDADRO CCOC(=O)c1sc([C@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)nc1C ZINC000543548290 650423819 /nfs/dbraw/zinc/42/38/19/650423819.db2.gz HOLVPPXNMVQOLL-STQMWFEESA-N 1 0 389.543 1.950 20 0 GDADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)cnn1C ZINC000544485996 650440136 /nfs/dbraw/zinc/44/01/36/650440136.db2.gz FTUTTWLXWHTFAR-SECBINFHSA-N 1 0 385.877 1.319 20 0 GDADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000544845036 650446922 /nfs/dbraw/zinc/44/69/22/650446922.db2.gz OPVMVULKCANWHH-MRXNPFEDSA-N 1 0 381.885 1.305 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000545172911 650450436 /nfs/dbraw/zinc/45/04/36/650450436.db2.gz SPEAMXGUGAEIPI-MRXNPFEDSA-N 1 0 382.873 1.665 20 0 GDADRO CC[NH+](CC)CCNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000545245148 650453187 /nfs/dbraw/zinc/45/31/87/650453187.db2.gz ZTHAJLAVURQZNM-UHFFFAOYSA-N 1 0 390.937 1.649 20 0 GDADRO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000546222840 650474974 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375.441 1.632 20 0 GDADRO C[C@@H]1COCC[N@@H+]1C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000565283891 650790414 /nfs/dbraw/zinc/79/04/14/650790414.db2.gz KCODGRLCSLCBJU-CYBMUJFWSA-N 1 0 397.317 1.968 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)N[C@H](CO)C[NH+]1CCCCC1 ZINC000565291546 650790899 /nfs/dbraw/zinc/79/08/99/650790899.db2.gz GWXAUVSLZQFYFB-ZDUSSCGKSA-N 1 0 388.295 1.686 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000565363251 650793299 /nfs/dbraw/zinc/79/32/99/650793299.db2.gz BNAFMELTIBFAKW-NXEZZACHSA-N 1 0 388.693 1.914 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000565594142 650804696 /nfs/dbraw/zinc/80/46/96/650804696.db2.gz NUNKIODBOMMDOM-INIZCTEOSA-N 1 0 376.906 1.089 20 0 GDADRO CC(C)(CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1Br ZINC000565538707 650801487 /nfs/dbraw/zinc/80/14/87/650801487.db2.gz WAFXGKGFYSUAJS-AWEZNQCLSA-N 1 0 382.302 1.711 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000565586762 650804250 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COc1cc(S(=O)(=O)N[C@H](C)CCC[NH3+])c(OC)cc1Br ZINC000567861774 650924880 /nfs/dbraw/zinc/92/48/80/650924880.db2.gz XMTNMHHZTWBVLW-SECBINFHSA-N 1 0 381.292 1.872 20 0 GDADRO NS(=O)(=O)CCCC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000567892162 650927407 /nfs/dbraw/zinc/92/74/07/650927407.db2.gz FYRZGVYTDGBSIB-UHFFFAOYSA-N 1 0 378.292 1.436 20 0 GDADRO CCCS(=O)(=O)Nc1cc(NC(=O)CCOC2C[NH2+]C2)c(F)cc1F ZINC000567906156 650928328 /nfs/dbraw/zinc/92/83/28/650928328.db2.gz KLNMWEXTBFZQOC-UHFFFAOYSA-N 1 0 377.413 1.434 20 0 GDADRO CN1C(=O)C(=O)N(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)C1=O ZINC000064111836 644527098 /nfs/dbraw/zinc/52/70/98/644527098.db2.gz KTKAWSAXGMZEHX-UHFFFAOYSA-N 1 0 396.241 1.423 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=S)NCCN1CCOCC1 ZINC000065704364 644537303 /nfs/dbraw/zinc/53/73/03/644537303.db2.gz VQOISQYBDQWAJB-UHFFFAOYSA-N 1 0 384.977 1.910 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)[N@H+](C)C1CC1 ZINC000069129280 644575125 /nfs/dbraw/zinc/57/51/25/644575125.db2.gz GHTVGRHTGCKANN-JTQLQIEISA-N 1 0 379.404 1.948 20 0 GDADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000568094222 650937105 /nfs/dbraw/zinc/93/71/05/650937105.db2.gz BABOMYOPXUUZHR-UHFFFAOYSA-N 1 0 389.283 1.471 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000568108837 650937734 /nfs/dbraw/zinc/93/77/34/650937734.db2.gz OVLXCLBFRGQHEE-UONOGXRCSA-N 1 0 381.274 1.022 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000568132458 650938151 /nfs/dbraw/zinc/93/81/51/650938151.db2.gz BYNKYXOKHAOGBU-VXGBXAGGSA-N 1 0 390.472 1.228 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)c2c1OCCC2)C(=O)NCC[NH+](C)C ZINC000568222243 650941536 /nfs/dbraw/zinc/94/15/36/650941536.db2.gz LLFXDJAUQLXIOI-NSHDSACASA-N 1 0 398.301 1.570 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NCCC[NH2+]C)c1 ZINC000122993811 644692961 /nfs/dbraw/zinc/69/29/61/644692961.db2.gz MPTLZEJWAYIOTQ-UHFFFAOYSA-N 1 0 379.276 1.514 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000123185181 644693798 /nfs/dbraw/zinc/69/37/98/644693798.db2.gz ILRQHGJCZKLWQT-JTQLQIEISA-N 1 0 377.260 1.266 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(Br)o1 ZINC000124864030 644710067 /nfs/dbraw/zinc/71/00/67/644710067.db2.gz XJWNVHVVMHBETG-YUMQZZPRSA-N 1 0 381.248 1.377 20 0 GDADRO O=C1[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)CCN1CC(F)(F)F ZINC000126207564 644719200 /nfs/dbraw/zinc/71/92/00/644719200.db2.gz UIDMZNCVYXMODN-VIFPVBQESA-N 1 0 397.341 1.053 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000127473578 644726080 /nfs/dbraw/zinc/72/60/80/644726080.db2.gz GWURNDSTLJFDSQ-KBPBESRZSA-N 1 0 390.937 1.428 20 0 GDADRO CC(C)C[C@H](NC(=O)c1cccnc1Br)C(=O)NCC[NH+](C)C ZINC000128038741 644728292 /nfs/dbraw/zinc/72/82/92/644728292.db2.gz BNTITYCXLAPINR-ZDUSSCGKSA-N 1 0 385.306 1.666 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000133779320 644756262 /nfs/dbraw/zinc/75/62/62/644756262.db2.gz 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COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(C)nc3Cl)CC2)c1 ZINC000193861504 645056249 /nfs/dbraw/zinc/05/62/49/645056249.db2.gz BZBBYRQNEGNTNT-UHFFFAOYSA-N 1 0 382.873 1.958 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000568882988 650975529 /nfs/dbraw/zinc/97/55/29/650975529.db2.gz BYIYJDNSVLJUOP-UHFFFAOYSA-N 1 0 388.295 1.837 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(I)cc1 ZINC000216115475 645072514 /nfs/dbraw/zinc/07/25/14/645072514.db2.gz CHRLATZTCZGPHH-ZJUUUORDSA-N 1 0 380.251 1.649 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000232735724 645079097 /nfs/dbraw/zinc/07/90/97/645079097.db2.gz BDPYFWPMYNBFNZ-CYBMUJFWSA-N 1 0 384.274 1.581 20 0 GDADRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000236569878 645080453 /nfs/dbraw/zinc/08/04/53/645080453.db2.gz CPPHZHYDBTZCEF-SECBINFHSA-N 1 0 378.248 1.635 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CCC([NH3+])CC2)c1 ZINC000236991388 645081724 /nfs/dbraw/zinc/08/17/24/645081724.db2.gz 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GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000420191714 645938636 /nfs/dbraw/zinc/93/86/36/645938636.db2.gz HLRBEHMDNVWRMR-CABCVRRESA-N 1 0 396.285 1.217 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000420191899 645938644 /nfs/dbraw/zinc/93/86/44/645938644.db2.gz AOBKSCHEPMQNNY-GJZGRUSLSA-N 1 0 396.285 1.217 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000420193901 645939292 /nfs/dbraw/zinc/93/92/92/645939292.db2.gz RZBPFMTYKMPVQE-SMDDNHRTSA-N 1 0 396.285 1.414 20 0 GDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000570910838 651059843 /nfs/dbraw/zinc/05/98/43/651059843.db2.gz JNAPESRBIATDPZ-RYUDHWBXSA-N 1 0 386.543 1.998 20 0 GDADRO COc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(Br)c1 ZINC000421299539 646002676 /nfs/dbraw/zinc/00/26/76/646002676.db2.gz NRWDQSCLFJKGHO-LLVKDONJSA-N 1 0 384.274 1.949 20 0 GDADRO COc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000421305108 646004176 /nfs/dbraw/zinc/00/41/76/646004176.db2.gz UNWWRQFJGJJUDS-LBPRGKRZSA-N 1 0 384.274 1.949 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000422093539 646038252 /nfs/dbraw/zinc/03/82/52/646038252.db2.gz ZACFGOZBKCIJGB-HZPDHXFCSA-N 1 0 394.313 1.851 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422285381 646056439 /nfs/dbraw/zinc/05/64/39/646056439.db2.gz KTPJLLVCKNWJRC-AWEZNQCLSA-N 1 0 398.301 1.627 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)NCCc1cccc(Br)c1)C1CC1 ZINC000422289566 646057683 /nfs/dbraw/zinc/05/76/83/646057683.db2.gz ATOWZARYGSQHTO-UHFFFAOYSA-N 1 0 382.302 1.708 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2cccc(Br)c2)CC[N@@H+]1C ZINC000422311909 646059311 /nfs/dbraw/zinc/05/93/11/646059311.db2.gz AFTILJWKOCGHLH-DOMZBBRYSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422422077 646066863 /nfs/dbraw/zinc/06/68/63/646066863.db2.gz FYPZCVALPHDSNX-WBMJQRKESA-N 1 0 394.313 1.707 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NC[C@@H]2CC[N@@H+]2C)s1 ZINC000916767944 660200635 /nfs/dbraw/zinc/20/06/35/660200635.db2.gz XYCRXWIYTGSAOU-ZDUSSCGKSA-N 1 0 388.559 1.324 20 0 GDADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C[C@H]1C[NH3+] ZINC000422553889 646078030 /nfs/dbraw/zinc/07/80/30/646078030.db2.gz LAKIAPLMBYKGTP-IJLUTSLNSA-N 1 0 393.506 1.191 20 0 GDADRO O=S(=O)(Cc1ccsc1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000916812731 660201986 /nfs/dbraw/zinc/20/19/86/660201986.db2.gz LXJCGROWCAJEHF-WDEREUQCSA-N 1 0 381.317 1.091 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000422998022 646106777 /nfs/dbraw/zinc/10/67/77/646106777.db2.gz PFSGHQFSKPLZLF-OCCSQVGLSA-N 1 0 382.302 1.993 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000422994025 646106907 /nfs/dbraw/zinc/10/69/07/646106907.db2.gz UOPIOUMHIGBHQK-QGZVFWFLSA-N 1 0 380.286 1.620 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423005581 646107985 /nfs/dbraw/zinc/10/79/85/646107985.db2.gz SHGRKIGGYFRSLT-UHFFFAOYSA-N 1 0 398.301 1.484 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000423020691 646108940 /nfs/dbraw/zinc/10/89/40/646108940.db2.gz CQCIIKFLOAECJV-ZDUSSCGKSA-N 1 0 384.933 1.256 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000423020605 646108962 /nfs/dbraw/zinc/10/89/62/646108962.db2.gz CDDIAIHVPXUTDS-CYBMUJFWSA-N 1 0 384.933 1.114 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000423075175 646111626 /nfs/dbraw/zinc/11/16/26/646111626.db2.gz NZNVWRDQNFOCIA-NUEKZKHPSA-N 1 0 385.302 1.483 20 0 GDADRO O=S(=O)(NCCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)c1ccccc1Cl ZINC000423095082 646112099 /nfs/dbraw/zinc/11/20/99/646112099.db2.gz DDGZIYYSAIIVHV-RDJZCZTQSA-N 1 0 387.933 1.365 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CCO1 ZINC000423172061 646117175 /nfs/dbraw/zinc/11/71/75/646117175.db2.gz RCHBWNRYDBWTEH-ZDUSSCGKSA-N 1 0 386.279 1.671 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000423183100 646118707 /nfs/dbraw/zinc/11/87/07/646118707.db2.gz RDHRICJLIHJZHQ-WFASDCNBSA-N 1 0 396.285 1.156 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000423274921 646123042 /nfs/dbraw/zinc/12/30/42/646123042.db2.gz MOHBPPWKDIFZKC-GFCCVEGCSA-N 1 0 386.315 1.862 20 0 GDADRO C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423390389 646123779 /nfs/dbraw/zinc/12/37/79/646123779.db2.gz VXBPYMMUABGTNH-FOGDFJRCSA-N 1 0 376.320 1.888 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)Cc2cc(OC)ccc2Br)C1 ZINC000423516562 646125857 /nfs/dbraw/zinc/12/58/57/646125857.db2.gz YCJFNSRIKBEREB-LBPRGKRZSA-N 1 0 384.274 1.236 20 0 GDADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423526619 646127277 /nfs/dbraw/zinc/12/72/77/646127277.db2.gz ZPRJVHGQSRNEBY-UHFFFAOYSA-N 1 0 382.302 1.866 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423534639 646128953 /nfs/dbraw/zinc/12/89/53/646128953.db2.gz WKIDHDXCKILSFT-YPMHNXCESA-N 1 0 386.279 1.923 20 0 GDADRO C[NH+](C)C1CC(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C1 ZINC000916956150 660203831 /nfs/dbraw/zinc/20/38/31/660203831.db2.gz PVDUUJYCDOAOJE-UHFFFAOYSA-N 1 0 379.404 1.350 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423578849 646132447 /nfs/dbraw/zinc/13/24/47/646132447.db2.gz MVMAENVGYNWTFQ-DGCLKSJQSA-N 1 0 398.276 1.615 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000423589395 646134571 /nfs/dbraw/zinc/13/45/71/646134571.db2.gz HJPRPNRNPRBYOG-GDBMZVCRSA-N 1 0 394.313 1.975 20 0 GDADRO O=C(C(=O)N1CCC[C@H]1c1ccc(Br)cn1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423596791 646135198 /nfs/dbraw/zinc/13/51/98/646135198.db2.gz SANBCFCRNMIRPT-ZOWXZIJZSA-N 1 0 393.285 1.185 20 0 GDADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000423612078 646136965 /nfs/dbraw/zinc/13/69/65/646136965.db2.gz NOQGBSXRJKIIBN-BPUTZDHNSA-N 1 0 394.313 1.646 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000423627280 646138560 /nfs/dbraw/zinc/13/85/60/646138560.db2.gz HEDJWGNUBGERIQ-RYUDHWBXSA-N 1 0 398.301 1.612 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423625554 646138563 /nfs/dbraw/zinc/13/85/63/646138563.db2.gz DCTVGBFGQOCFRG-GXTWGEPZSA-N 1 0 382.302 1.646 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423653425 646139229 /nfs/dbraw/zinc/13/92/29/646139229.db2.gz YXMXGEDPHHIMKX-HOSYDEDBSA-N 1 0 379.404 1.320 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423657241 646139846 /nfs/dbraw/zinc/13/98/46/646139846.db2.gz YLIRTDZSSUAULU-DOMZBBRYSA-N 1 0 386.279 1.843 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000423662911 646140631 /nfs/dbraw/zinc/14/06/31/646140631.db2.gz FYMOMSMPUCPZKF-KBPBESRZSA-N 1 0 398.301 1.372 20 0 GDADRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000423689726 646143412 /nfs/dbraw/zinc/14/34/12/646143412.db2.gz YCPWQXYMHYDDFD-XCBNKYQSSA-N 1 0 379.251 1.553 20 0 GDADRO CN(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@H](C[NH3+])C1CC1 ZINC000423952172 646146363 /nfs/dbraw/zinc/14/63/63/646146363.db2.gz POFZTDFUQPNNMS-CYBMUJFWSA-N 1 0 380.242 1.241 20 0 GDADRO Cc1c(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc(Br)cc1S(N)(=O)=O ZINC000423962912 646147026 /nfs/dbraw/zinc/14/70/26/646147026.db2.gz VPSUNCYYYMRAMD-GFCCVEGCSA-N 1 0 392.319 1.508 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000423959843 646147080 /nfs/dbraw/zinc/14/70/80/646147080.db2.gz XVMNVPGKTJFCNQ-GFCCVEGCSA-N 1 0 381.420 1.473 20 0 GDADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H](CCSC)NS(=O)(=O)CC ZINC000423979524 646148207 /nfs/dbraw/zinc/14/82/07/646148207.db2.gz PEZXTUQNJCPRBA-CVEARBPZSA-N 1 0 387.571 1.426 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423969419 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396.285 1.378 20 0 GDADRO O=C([C@H]1C[C@]12CCc1cc(Br)ccc12)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424048160 646155929 /nfs/dbraw/zinc/15/59/29/646155929.db2.gz YJHUXNBMLPAHCZ-HPFXQQBRSA-N 1 0 377.282 1.852 20 0 GDADRO C[C@@H]1C[C@@H](C)N(C(=O)CN(C)C(=O)c2ccc(Br)o2)C[C@H]1C[NH3+] ZINC000424064871 646158359 /nfs/dbraw/zinc/15/83/59/646158359.db2.gz DQUXTIKEHHKGKW-IJLUTSLNSA-N 1 0 386.290 1.946 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424366344 646175259 /nfs/dbraw/zinc/17/52/59/646175259.db2.gz XUCUBOZNCHJZMD-VXGBXAGGSA-N 1 0 376.276 1.096 20 0 GDADRO C[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000437409282 646208510 /nfs/dbraw/zinc/20/85/10/646208510.db2.gz GDPVRXMFXRKREJ-KGLIPLIRSA-N 1 0 388.559 1.589 20 0 GDADRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000438848132 646224400 /nfs/dbraw/zinc/22/44/00/646224400.db2.gz GVJXBHOLBRLSGR-MFKMUULPSA-N 1 0 376.222 1.823 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440439242 646243372 /nfs/dbraw/zinc/24/33/72/646243372.db2.gz DGAZLRNIIXHNFF-GFCCVEGCSA-N 1 0 392.262 1.806 20 0 GDADRO O=S(=O)(NCCN1CC[NH2+]CC1)c1cc(Cl)ccc1Br ZINC000440731793 646253211 /nfs/dbraw/zinc/25/32/11/646253211.db2.gz KRWICMAHIRNNEI-UHFFFAOYSA-N 1 0 382.711 1.286 20 0 GDADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000440730876 646253389 /nfs/dbraw/zinc/25/33/89/646253389.db2.gz BRIASNJRVOSIKS-UHFFFAOYSA-N 1 0 382.873 1.292 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)C1 ZINC000440742488 646254138 /nfs/dbraw/zinc/25/41/38/646254138.db2.gz URVNVQSBMCLOJZ-ZDUSSCGKSA-N 1 0 376.906 1.985 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000442152845 646262959 /nfs/dbraw/zinc/26/29/59/646262959.db2.gz SGAOXJJPCOWNSD-PWSUYJOCSA-N 1 0 384.274 1.995 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCN2CCOC2=O)C1 ZINC000917399248 660212467 /nfs/dbraw/zinc/21/24/67/660212467.db2.gz CCPSIUUXFDWPDH-LBPRGKRZSA-N 1 0 397.273 1.947 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)s1 ZINC000917527335 660215276 /nfs/dbraw/zinc/21/52/76/660215276.db2.gz HHWUJPATOWEPFS-UHFFFAOYSA-N 1 0 376.500 1.048 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000917959513 660226110 /nfs/dbraw/zinc/22/61/10/660226110.db2.gz GNSIXAMLYLLBHL-KGLIPLIRSA-N 1 0 397.321 1.331 20 0 GDADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000903478517 659316817 /nfs/dbraw/zinc/31/68/17/659316817.db2.gz LJEPAHHDSGRCPO-QJPTWQEYSA-N 1 0 376.320 1.906 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903486029 659317297 /nfs/dbraw/zinc/31/72/97/659317297.db2.gz RLRTUGZVZAXHQR-HNNXBMFYSA-N 1 0 385.917 1.946 20 0 GDADRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000907239081 659706169 /nfs/dbraw/zinc/70/61/69/659706169.db2.gz UBPBJMKZWIEGST-UHFFFAOYSA-N 1 0 396.282 1.306 20 0 GDADRO COc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)sc1S(N)(=O)=O ZINC000912809785 660055074 /nfs/dbraw/zinc/05/50/74/660055074.db2.gz KVPHIYCYEWBIPO-RYUDHWBXSA-N 1 0 389.543 1.597 20 0 GDADRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3ccc4c(c3)CS(=O)(=O)C4)C[C@]2(C)C1 ZINC000918368828 660234632 /nfs/dbraw/zinc/23/46/32/660234632.db2.gz OAGADTMCBYKHCH-IRXDYDNUSA-N 1 0 384.523 1.077 20 0 GDADRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(Br)nc3F)C[C@@]2(C)C1 ZINC000918369702 660234802 /nfs/dbraw/zinc/23/48/02/660234802.db2.gz SWHMTJWQGMZRPJ-ZIAGYGMSSA-N 1 0 392.294 1.946 20 0 GDADRO Cn1cc(S(=O)(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c(Br)n1 ZINC000918370955 660234923 /nfs/dbraw/zinc/23/49/23/660234923.db2.gz YYQATWSWBAQBHC-STQMWFEESA-N 1 0 377.308 1.145 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000918962850 660244051 /nfs/dbraw/zinc/24/40/51/660244051.db2.gz OLYQLMLJOFGVCJ-HNNXBMFYSA-N 1 0 391.331 1.667 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000442781346 647163623 /nfs/dbraw/zinc/16/36/23/647163623.db2.gz PFRJJXUHSLLELX-NWDGAFQWSA-N 1 0 383.290 1.173 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)cc1Br ZINC000443251345 647194827 /nfs/dbraw/zinc/19/48/27/647194827.db2.gz QUMOWEMRAWUXCR-UHFFFAOYSA-N 1 0 377.304 1.493 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000443301452 647198620 /nfs/dbraw/zinc/19/86/20/647198620.db2.gz AQACQKNVFIXLFG-UHFFFAOYSA-N 1 0 382.885 1.181 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000443301475 647198783 /nfs/dbraw/zinc/19/87/83/647198783.db2.gz CGGXLSXVHNHFLM-UHFFFAOYSA-N 1 0 390.889 1.109 20 0 GDADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc(S(N)(=O)=O)s2)C[C@H](C)O1 ZINC000443682037 647219964 /nfs/dbraw/zinc/21/99/64/647219964.db2.gz NSZLLNWKUXPGCP-TXEJJXNPSA-N 1 0 375.516 1.015 20 0 GDADRO CO[C@H](CC(C)C)CS(=O)(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000920273689 660268445 /nfs/dbraw/zinc/26/84/45/660268445.db2.gz JISFKGIFURLHSD-DUQPFJRNSA-N 1 0 376.563 1.447 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cccnc3Cl)C2)[C@H]1C(C)C 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XVWBLVUTTJAFGR-GFCCVEGCSA-N 1 0 379.404 1.930 20 0 GDADRO O=C(N[C@@H](CO)C(=O)OCC[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000920652476 660274352 /nfs/dbraw/zinc/27/43/52/660274352.db2.gz PUXFCWYDLDSYKE-HNNXBMFYSA-N 1 0 399.285 1.569 20 0 GDADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000454653962 647359482 /nfs/dbraw/zinc/35/94/82/647359482.db2.gz CQWOHNWRORYDOT-CQSZACIVSA-N 1 0 399.333 1.888 20 0 GDADRO C[C@@H]1CN(C(=O)NCc2nn(C)cc2I)C[C@H](C)[N@H+]1C ZINC000455468192 647381271 /nfs/dbraw/zinc/38/12/71/647381271.db2.gz TUHIQTISNBYBBB-AOOOYVTPSA-N 1 0 391.257 1.259 20 0 GDADRO Cn1cc(I)c(CNC(=O)C[N@H+](C)[C@H]2CCSC2)n1 ZINC000456510184 647404279 /nfs/dbraw/zinc/40/42/79/647404279.db2.gz RQCHEBGSDCWCNX-VIFPVBQESA-N 1 0 394.282 1.078 20 0 GDADRO CCc1ncc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000460910836 647478462 /nfs/dbraw/zinc/47/84/62/647478462.db2.gz ZFWLNGPQPXQFIE-LBPRGKRZSA-N 1 0 376.548 1.076 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000461903239 647503514 /nfs/dbraw/zinc/50/35/14/647503514.db2.gz MKTGXWCHJYJFIC-GFCCVEGCSA-N 1 0 380.388 1.850 20 0 GDADRO CS(=O)(=O)NCC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000463194821 647551767 /nfs/dbraw/zinc/55/17/67/647551767.db2.gz TVCSHYFQTKVREV-CQSZACIVSA-N 1 0 380.432 1.622 20 0 GDADRO O=C1NCCN(CC[N@@H+]2CCCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000463209975 647552621 /nfs/dbraw/zinc/55/26/21/647552621.db2.gz DYAJYMFXNRTJPQ-MRXNPFEDSA-N 1 0 382.302 1.644 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)CCCN2CCOCC2)C1 ZINC000463340857 647557255 /nfs/dbraw/zinc/55/72/55/647557255.db2.gz RJJSBAPZHOMLQB-IAGOWNOFSA-N 1 0 375.579 1.385 20 0 GDADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000464777841 647588372 /nfs/dbraw/zinc/58/83/72/647588372.db2.gz RRNQTYFHRQEOER-HZPDHXFCSA-N 1 0 393.619 1.769 20 0 GDADRO O=C1C[C@@]2(CN1)CCC[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000464798570 647588977 /nfs/dbraw/zinc/58/89/77/647588977.db2.gz JTTYREXCYSMRQI-RHSMWYFYSA-N 1 0 383.286 1.791 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)s2)C[N@@H+]1Cc1ccccc1 ZINC000467761468 647650381 /nfs/dbraw/zinc/65/03/81/647650381.db2.gz ZKNAGODGMLUHJV-OCCSQVGLSA-N 1 0 379.507 1.788 20 0 GDADRO C[NH+](C)Cc1cccc(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)c1 ZINC000469059755 647693818 /nfs/dbraw/zinc/69/38/18/647693818.db2.gz SMVIRPXCEAADTO-INIZCTEOSA-N 1 0 379.551 1.839 20 0 GDADRO C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000469321183 647706679 /nfs/dbraw/zinc/70/66/79/647706679.db2.gz HEZXKRAAIKMUNR-CYBMUJFWSA-N 1 0 391.331 1.667 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1c(C)cc(Br)cc1C ZINC000469385913 647709559 /nfs/dbraw/zinc/70/95/59/647709559.db2.gz JREMROUPJRICAZ-UHFFFAOYSA-N 1 0 379.320 1.658 20 0 GDADRO C[C@H](C[NH3+])NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000470453445 647726591 /nfs/dbraw/zinc/72/65/91/647726591.db2.gz NLFXREZYEYWJHC-MFKMUULPSA-N 1 0 390.303 1.066 20 0 GDADRO COC(=O)c1cc(F)c(C)c(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000472587822 647757104 /nfs/dbraw/zinc/75/71/04/647757104.db2.gz XMJMHFUSKLOCLF-MRXNPFEDSA-N 1 0 390.502 1.636 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000474228387 647758060 /nfs/dbraw/zinc/75/80/60/647758060.db2.gz BERIWJZBDXTCPW-GFCCVEGCSA-N 1 0 377.272 1.787 20 0 GDADRO C[C@@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000479136725 647824687 /nfs/dbraw/zinc/82/46/87/647824687.db2.gz WAQIIFFKLGNYOY-GGZOMVNGSA-N 1 0 381.230 1.399 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479404772 647831174 /nfs/dbraw/zinc/83/11/74/647831174.db2.gz FEZONWFAHZXSTR-MWODSPESSA-N 1 0 383.297 1.689 20 0 GDADRO COC[C@@H](C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)OC ZINC000480712299 647853750 /nfs/dbraw/zinc/85/37/50/647853750.db2.gz SIEILFIDRIAHPR-DGCLKSJQSA-N 1 0 378.288 1.919 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)OC)C1 ZINC000480759931 647855732 /nfs/dbraw/zinc/85/57/32/647855732.db2.gz QIZWARWFNBVKDJ-OWCLPIDISA-N 1 0 376.519 1.091 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC000480761514 647855845 /nfs/dbraw/zinc/85/58/45/647855845.db2.gz CHJCBORDGBFRAK-UONOGXRCSA-N 1 0 389.543 1.054 20 0 GDADRO COc1c[nH+]ccc1N1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000481059661 647868117 /nfs/dbraw/zinc/86/81/17/647868117.db2.gz MPPYHRIMDURBHU-UHFFFAOYSA-N 1 0 380.246 1.273 20 0 GDADRO CNS(=O)(=O)CCC[N@H+](C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000485841983 647930671 /nfs/dbraw/zinc/93/06/71/647930671.db2.gz MSYNUIWKCJXHIK-AWEZNQCLSA-N 1 0 389.543 1.159 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000488350616 647958634 /nfs/dbraw/zinc/95/86/34/647958634.db2.gz PNPWUKHSGTUDHJ-PWSUYJOCSA-N 1 0 377.869 1.071 20 0 GDADRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000488800065 647967076 /nfs/dbraw/zinc/96/70/76/647967076.db2.gz DODZTWMCFMGFOA-VXGBXAGGSA-N 1 0 384.274 1.207 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCS(C)(=O)=O)cc1 ZINC000490075119 647984968 /nfs/dbraw/zinc/98/49/68/647984968.db2.gz KKTHCBRZEGKHEA-INIZCTEOSA-N 1 0 388.555 1.726 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@@H](C)[S@@](C)=O)CC2)cc1 ZINC000494027344 648002695 /nfs/dbraw/zinc/00/26/95/648002695.db2.gz HAXCYPUQDQNHHJ-JBEBIEQOSA-N 1 0 388.555 1.595 20 0 GDADRO O=C(CCn1cc(Br)ccc1=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000495579909 648014019 /nfs/dbraw/zinc/01/40/19/648014019.db2.gz YKLCZRUXNSJNCN-HNNXBMFYSA-N 1 0 382.302 1.992 20 0 GDADRO CO[C@H](C)c1nc(CN2CCCN(C(=O)[C@@H]([NH3+])CCSC)CC2)cs1 ZINC000497326503 648024122 /nfs/dbraw/zinc/02/41/22/648024122.db2.gz VKHREOMURDJLNW-HIFRSBDPSA-N 1 0 386.587 1.965 20 0 GDADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C1 ZINC000497352553 648025776 /nfs/dbraw/zinc/02/57/76/648025776.db2.gz NZSKJZZUGWIJBG-GFCCVEGCSA-N 1 0 394.946 1.505 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)NCC[C@H](C)[NH3+] ZINC000497352790 648025851 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C[C@@H](CC[NH+](C)C)NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000498639364 648063484 /nfs/dbraw/zinc/06/34/84/648063484.db2.gz RCEMBVVTMAEFJX-JTQLQIEISA-N 1 0 382.258 1.502 20 0 GDADRO Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000499110124 648075760 /nfs/dbraw/zinc/07/57/60/648075760.db2.gz KJUDMEPSOSMDNJ-CYBMUJFWSA-N 1 0 380.557 1.186 20 0 GDADRO CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000501032312 648126050 /nfs/dbraw/zinc/12/60/50/648126050.db2.gz CSYQFQRFMJVNNL-HIFRSBDPSA-N 1 0 383.539 1.577 20 0 GDADRO OC1(CN2CCOCC2)CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000501077861 648128624 /nfs/dbraw/zinc/12/86/24/648128624.db2.gz PHFBGDCCQAMLQB-UHFFFAOYSA-N 1 0 399.329 1.987 20 0 GDADRO CC[C@@H](C)CS(=O)(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000502441259 648166051 /nfs/dbraw/zinc/16/60/51/648166051.db2.gz CJWVFYVNJKQQTO-MRXNPFEDSA-N 1 0 375.579 1.922 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000503516124 648189705 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GDADRO COCCn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cn1 ZINC000509402541 648285365 /nfs/dbraw/zinc/28/53/65/648285365.db2.gz KUMKHGWMXDKHIY-UHFFFAOYSA-N 1 0 390.868 1.390 20 0 GDADRO CC[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C[C@H](C)O ZINC000510129418 648317532 /nfs/dbraw/zinc/31/75/32/648317532.db2.gz VNUXBOHHNLGXAU-LBPRGKRZSA-N 1 0 375.300 1.740 20 0 GDADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000510405547 648323357 /nfs/dbraw/zinc/32/33/57/648323357.db2.gz DNLOEQMVKTZSQP-VGWMRTNUSA-N 1 0 375.579 1.823 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000510947585 648346149 /nfs/dbraw/zinc/34/61/49/648346149.db2.gz XVPJILBEHIQSSI-AWEZNQCLSA-N 1 0 376.320 1.858 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000510985975 648348531 /nfs/dbraw/zinc/34/85/31/648348531.db2.gz OEDNLIBFGRNLAX-ZDUSSCGKSA-N 1 0 389.905 1.357 20 0 GDADRO C[C@H]1OCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512893021 648416945 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C[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])Oc1ccc(Br)cc1 ZINC000514849351 648468745 /nfs/dbraw/zinc/46/87/45/648468745.db2.gz OTRAJQPQFCJUSK-TZMCWYRMSA-N 1 0 385.306 1.501 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCCC[NH+]1CCCC1 ZINC000514924938 648472212 /nfs/dbraw/zinc/47/22/12/648472212.db2.gz IQIFDAQGHACFCV-UHFFFAOYSA-N 1 0 394.324 1.874 20 0 GDADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000514937061 648472552 /nfs/dbraw/zinc/47/25/52/648472552.db2.gz GAZKXGYSXQTFRD-NSHDSACASA-N 1 0 377.894 1.504 20 0 GDADRO Cc1nc(C(=O)NC[C@@H]2C[NH2+]CCCO2)nn1-c1c(Cl)cccc1Cl ZINC000515036721 648476826 /nfs/dbraw/zinc/47/68/26/648476826.db2.gz HQMOSPFGYHPBND-NSHDSACASA-N 1 0 384.267 1.991 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000515223399 648486143 /nfs/dbraw/zinc/48/61/43/648486143.db2.gz SAFYUGUAJDDTPS-SMDDNHRTSA-N 1 0 387.267 1.386 20 0 GDADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000515234741 648486774 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CC1(C)COC[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000520340976 648648601 /nfs/dbraw/zinc/64/86/01/648648601.db2.gz YAXWVRABGYRJHY-ZDUSSCGKSA-N 1 0 384.274 1.518 20 0 GDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000523662413 648685900 /nfs/dbraw/zinc/68/59/00/648685900.db2.gz WQZAPPMROZLRCM-NSHDSACASA-N 1 0 379.935 1.575 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccnc(C)c2Br)CC1 ZINC000525847717 648700445 /nfs/dbraw/zinc/70/04/45/648700445.db2.gz DOAYXUDVWSDXCC-ZDUSSCGKSA-N 1 0 398.349 1.970 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2csc(-c3cnn(C)c3)n2)CC1 ZINC000527641877 648707635 /nfs/dbraw/zinc/70/76/35/648707635.db2.gz YTRNZJKNXVLXAY-UHFFFAOYSA-N 1 0 383.543 1.837 20 0 GDADRO CN(Cc1ccc(Br)cc1Cl)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000571162593 651067360 /nfs/dbraw/zinc/06/73/60/651067360.db2.gz GTTCHPDLDISIEO-ZDUSSCGKSA-N 1 0 388.693 1.929 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000571205151 651069084 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O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000571803318 651082894 /nfs/dbraw/zinc/08/28/94/651082894.db2.gz YNTDRFRZDQUNLB-GFCCVEGCSA-N 1 0 393.481 1.189 20 0 GDADRO Cc1cc(C)c(Br)c(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c1 ZINC000572118130 651090857 /nfs/dbraw/zinc/09/08/57/651090857.db2.gz VNXSUXUAWIHXGB-UHFFFAOYSA-N 1 0 379.262 1.846 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000572418976 651096734 /nfs/dbraw/zinc/09/67/34/651096734.db2.gz OYJNXHPCGRRYJI-UHFFFAOYSA-N 1 0 389.905 1.552 20 0 GDADRO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000572418864 651096769 /nfs/dbraw/zinc/09/67/69/651096769.db2.gz HRORBNBGZFVWOO-ZDUSSCGKSA-N 1 0 379.302 1.732 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000572506617 651098975 /nfs/dbraw/zinc/09/89/75/651098975.db2.gz FUTJUXUFACMWKH-VIFPVBQESA-N 1 0 376.404 1.473 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccc(Cl)s1)C2=O ZINC000572518466 651099349 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GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000574159384 651519894 /nfs/dbraw/zinc/51/98/94/651519894.db2.gz NZFXZLVUEKQNFG-CYBMUJFWSA-N 1 0 385.452 1.334 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000574159370 651519948 /nfs/dbraw/zinc/51/99/48/651519948.db2.gz LIPBEVVKWYOPLM-CQSZACIVSA-N 1 0 375.922 1.840 20 0 GDADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000574302632 651530759 /nfs/dbraw/zinc/53/07/59/651530759.db2.gz KOCGQUHFZAEBKZ-WDEREUQCSA-N 1 0 383.214 1.089 20 0 GDADRO CSC1(CNS(=O)(=O)c2cnc(NC(C)=O)s2)CC[NH+](C)CC1 ZINC000574322924 651532927 /nfs/dbraw/zinc/53/29/27/651532927.db2.gz UKQBDYXEGQKSAY-UHFFFAOYSA-N 1 0 378.545 1.207 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000574326239 651532971 /nfs/dbraw/zinc/53/29/71/651532971.db2.gz JZGKIGALVQUJLH-GHMZBOCLSA-N 1 0 377.557 1.341 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000574450229 651543370 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387.933 1.113 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(Cc2ncc(Br)s2)CC1 ZINC000574787929 651568762 /nfs/dbraw/zinc/56/87/62/651568762.db2.gz MWEZRCMVOIHZEH-UHFFFAOYSA-N 1 0 375.336 1.795 20 0 GDADRO Cc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1I ZINC000575044981 651578400 /nfs/dbraw/zinc/57/84/00/651578400.db2.gz HWFXTPPDDGHOPF-UHFFFAOYSA-N 1 0 380.251 1.630 20 0 GDADRO COC(=O)c1cn(CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000575054173 651579581 /nfs/dbraw/zinc/57/95/81/651579581.db2.gz QWTJMRWAXKSSDW-JTQLQIEISA-N 1 0 389.239 1.401 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)C[C@H]21 ZINC000575058150 651580298 /nfs/dbraw/zinc/58/02/98/651580298.db2.gz FCKYUDLSKYQSGP-BPLDGKMQSA-N 1 0 380.286 1.765 20 0 GDADRO O=C(CC1CC[NH2+]CC1)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000575121137 651583591 /nfs/dbraw/zinc/58/35/91/651583591.db2.gz ABQHHBKMOZGHAU-UHFFFAOYSA-N 1 0 377.869 1.263 20 0 GDADRO O=C(NCc1ccc(Br)s1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575782654 651602570 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1.928 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000576465831 651666851 /nfs/dbraw/zinc/66/68/51/651666851.db2.gz MIRNPZDZVMZZJA-BBRMVZONSA-N 1 0 385.917 1.609 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000576465836 651666877 /nfs/dbraw/zinc/66/68/77/651666877.db2.gz MIRNPZDZVMZZJA-XJKSGUPXSA-N 1 0 385.917 1.609 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000576566765 651671264 /nfs/dbraw/zinc/67/12/64/651671264.db2.gz LGOMGRDUHIJXIG-JTQLQIEISA-N 1 0 384.249 1.675 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000576566766 651671330 /nfs/dbraw/zinc/67/13/30/651671330.db2.gz LGOMGRDUHIJXIG-SNVBAGLBSA-N 1 0 384.249 1.675 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000576568985 651671832 /nfs/dbraw/zinc/67/18/32/651671832.db2.gz JDPKYDCPIYQHIN-AWEZNQCLSA-N 1 0 398.301 1.893 20 0 GDADRO Cc1nc(C(=O)NCCCC[NH+]2CCN(C)CC2)c(Br)s1 ZINC000576646439 651678720 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IHSRTPMPVFTODM-MMMKDXCPSA-N 1 0 380.286 1.617 20 0 GDADRO CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000577383910 651728130 /nfs/dbraw/zinc/72/81/30/651728130.db2.gz MOCTYERKEMWGBG-NWANDNLSSA-N 1 0 386.539 1.013 20 0 GDADRO COC[C@]1(CNC(=O)c2ccc(I)c(F)c2)CCC[NH2+]1 ZINC000577601994 651740800 /nfs/dbraw/zinc/74/08/00/651740800.db2.gz KEURDRIGQHBMIJ-CQSZACIVSA-N 1 0 392.212 1.929 20 0 GDADRO COC[C@@]1(CNC(=O)c2ccc(I)c(F)c2)CCC[NH2+]1 ZINC000577601993 651740838 /nfs/dbraw/zinc/74/08/38/651740838.db2.gz KEURDRIGQHBMIJ-AWEZNQCLSA-N 1 0 392.212 1.929 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000577768556 651751651 /nfs/dbraw/zinc/75/16/51/651751651.db2.gz HCDWZAOZWLGPGU-SMDDNHRTSA-N 1 0 382.302 1.817 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000577831982 651756682 /nfs/dbraw/zinc/75/66/82/651756682.db2.gz BPCASENQQZAFHP-NSHDSACASA-N 1 0 392.934 1.216 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)c(F)c1 ZINC000577989426 651763254 /nfs/dbraw/zinc/76/32/54/651763254.db2.gz BMZZWRLXFUBWPW-UHFFFAOYSA-N 1 0 390.502 1.718 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CCN2C1=O ZINC000578084264 651772765 /nfs/dbraw/zinc/77/27/65/651772765.db2.gz ULTBONLVKLMWPB-LDYMZIIASA-N 1 0 398.699 1.579 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000578348105 651791354 /nfs/dbraw/zinc/79/13/54/651791354.db2.gz IZMXUHNMDCHBBM-UHFFFAOYSA-N 1 0 384.274 1.603 20 0 GDADRO O=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000578744200 651809671 /nfs/dbraw/zinc/80/96/71/651809671.db2.gz PIYNXTSIGXIHFT-SGMGOOAPSA-N 1 0 376.448 1.957 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000578890905 651822775 /nfs/dbraw/zinc/82/27/75/651822775.db2.gz BQVPNBMNEMUYLT-NXEZZACHSA-N 1 0 384.267 2.360 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000579110004 651839089 /nfs/dbraw/zinc/83/90/89/651839089.db2.gz 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HYBSRCFYKMSXQQ-UHFFFAOYSA-N 1 0 392.200 1.290 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2F)C[NH2+]1 ZINC000626894237 653063797 /nfs/dbraw/zinc/06/37/97/653063797.db2.gz WXKHZZPGOVHNFJ-JGVFFNPUSA-N 1 0 376.201 1.923 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1Br ZINC000626901230 653064521 /nfs/dbraw/zinc/06/45/21/653064521.db2.gz AIHZXZSZPWDNTF-IYBDPMFKSA-N 1 0 381.274 1.549 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N[C@@H]2CC[NH2+][C@H]2C)s1 ZINC000626969714 653065928 /nfs/dbraw/zinc/06/59/28/653065928.db2.gz DDFKWYSLBNKPFV-GXTWGEPZSA-N 1 0 388.559 1.371 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C[NH2+]1 ZINC000627003755 653066445 /nfs/dbraw/zinc/06/64/45/653066445.db2.gz FIPCTLORMHCVAP-NXEZZACHSA-N 1 0 380.923 1.120 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[NH2+]1 ZINC000627020887 653067123 /nfs/dbraw/zinc/06/71/23/653067123.db2.gz NSGAUJOIUTWNPR-OSAQELSMSA-N 1 0 395.301 1.994 20 0 GDADRO CN(C(=O)NCCOCCC[NH3+])[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000627216661 653068875 /nfs/dbraw/zinc/06/88/75/653068875.db2.gz UDYLDFFZULHIOT-ZDUSSCGKSA-N 1 0 375.878 1.175 20 0 GDADRO O=C(c1cnc2ncc(Br)cc2c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627264248 653069881 /nfs/dbraw/zinc/06/98/81/653069881.db2.gz QQYPIDFAVBMKKV-LSDHHAIUSA-N 1 0 391.269 1.673 20 0 GDADRO O=C(c1c[nH]c2ncc(Br)cc12)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627265705 653070282 /nfs/dbraw/zinc/07/02/82/653070282.db2.gz MLKBMJHTHAIGEH-RYUDHWBXSA-N 1 0 379.258 1.607 20 0 GDADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627264936 653070323 /nfs/dbraw/zinc/07/03/23/653070323.db2.gz APRKMGXRGNKJGA-NWDGAFQWSA-N 1 0 379.258 1.607 20 0 GDADRO O=C(c1c[nH]c2ncc(Br)cc12)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627265706 653070332 /nfs/dbraw/zinc/07/03/32/653070332.db2.gz MLKBMJHTHAIGEH-VXGBXAGGSA-N 1 0 379.258 1.607 20 0 GDADRO COc1c(Br)ccc(F)c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269988 653070936 /nfs/dbraw/zinc/07/09/36/653070936.db2.gz AZPNDIJGJZNADZ-MNOVXSKESA-N 1 0 387.249 1.878 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627441436 653075624 /nfs/dbraw/zinc/07/56/24/653075624.db2.gz LJNWLNCLTYZGJT-AWEZNQCLSA-N 1 0 398.276 1.947 20 0 GDADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627488714 653075791 /nfs/dbraw/zinc/07/57/91/653075791.db2.gz HBFOBWRDJPKUHW-NSHDSACASA-N 1 0 376.284 1.994 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000627498390 653076188 /nfs/dbraw/zinc/07/61/88/653076188.db2.gz UYVUYMNIWOETEL-GLQYFDAESA-N 1 0 380.286 1.979 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000627644759 653076898 /nfs/dbraw/zinc/07/68/98/653076898.db2.gz DCBWMHVPOCHSFQ-HBYGRHMLSA-N 1 0 392.308 1.290 20 0 GDADRO Cc1cccc(CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1Br ZINC000627922177 653081237 /nfs/dbraw/zinc/08/12/37/653081237.db2.gz TXUHNLTZLRITHU-ZDUSSCGKSA-N 1 0 382.302 1.878 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Br)c(F)c2F)CC1=O ZINC000627984045 653082813 /nfs/dbraw/zinc/08/28/13/653082813.db2.gz LOYJUKKHWUHWCH-UHFFFAOYSA-N 1 0 390.228 1.573 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1F ZINC000627982409 653083101 /nfs/dbraw/zinc/08/31/01/653083101.db2.gz IKTRZVKBNDIXFZ-SNVBAGLBSA-N 1 0 388.237 1.018 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000628104526 653089838 /nfs/dbraw/zinc/08/98/38/653089838.db2.gz WAWHOGNUUFAYRT-JTQLQIEISA-N 1 0 379.766 1.480 20 0 GDADRO COCCOCC[N@H+](CCO)Cc1cc(Br)c2c(c1)OCCO2 ZINC000628421529 653099516 /nfs/dbraw/zinc/09/95/16/653099516.db2.gz DHSANWHPXUIGPF-UHFFFAOYSA-N 1 0 390.274 1.678 20 0 GDADRO COc1cccc(S(=O)(=O)CCN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629564372 653172201 /nfs/dbraw/zinc/17/22/01/653172201.db2.gz TTXTWRJRBGGTLL-SWLSCSKDSA-N 1 0 380.432 1.928 20 0 GDADRO CN1CCOC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000629600075 653176007 /nfs/dbraw/zinc/17/60/07/653176007.db2.gz RESDCIHXSGSUNY-QWHCGFSZSA-N 1 0 393.709 1.762 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000629800923 653182888 /nfs/dbraw/zinc/18/28/88/653182888.db2.gz DWADDXVLAOEDAI-JTQLQIEISA-N 1 0 378.420 1.675 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000629812761 653183916 /nfs/dbraw/zinc/18/39/16/653183916.db2.gz SQRIPBSTWBXLSK-OAHLLOKOSA-N 1 0 382.302 1.864 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000629913343 653192529 /nfs/dbraw/zinc/19/25/29/653192529.db2.gz XQZXZOOJENORSH-STQMWFEESA-N 1 0 386.279 1.529 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1)c1cccs1 ZINC000630395816 653208016 /nfs/dbraw/zinc/20/80/16/653208016.db2.gz YVDNYYUVYRLDMS-CQSZACIVSA-N 1 0 386.543 1.170 20 0 GDADRO O=C1C(=O)N(Cc2cn([C@@H]3CCC[NH2+]C3)nn2)c2ccc(Br)cc21 ZINC000630595194 653217908 /nfs/dbraw/zinc/21/79/08/653217908.db2.gz AZPGHKLMPXAYMK-GFCCVEGCSA-N 1 0 390.241 1.695 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000630729881 653221134 /nfs/dbraw/zinc/22/11/34/653221134.db2.gz VTCKWVSAGKBOAH-UHFFFAOYSA-N 1 0 385.306 1.616 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000630945685 653227343 /nfs/dbraw/zinc/22/73/43/653227343.db2.gz MEVVLSQFZMXDEY-QWHCGFSZSA-N 1 0 384.274 1.529 20 0 GDADRO CC(C)[C@H](CNC(=O)c1c(F)cncc1Br)N1CC[NH+](C)CC1 ZINC000631270885 653233132 /nfs/dbraw/zinc/23/31/32/653233132.db2.gz WDISJIIQGZYYAO-AWEZNQCLSA-N 1 0 387.297 1.985 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000631708287 653245272 /nfs/dbraw/zinc/24/52/72/653245272.db2.gz CZHBQJVGGQZXCR-LLVKDONJSA-N 1 0 381.420 1.951 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(F)F)o2)CC1 ZINC000631813460 653256668 /nfs/dbraw/zinc/25/66/68/653256668.db2.gz OURMZRYMXLKMKF-UHFFFAOYSA-N 1 0 379.429 1.296 20 0 GDADRO CC[NH2+]CCCNS(=O)(=O)c1c(C)nn2cc(Br)cnc12 ZINC000631901742 653265516 /nfs/dbraw/zinc/26/55/16/653265516.db2.gz MXXYVBDZRHCEFX-UHFFFAOYSA-N 1 0 376.280 1.078 20 0 GDADRO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)F)o2)C1)N1CC[NH2+]CC1 ZINC000631902228 653265577 /nfs/dbraw/zinc/26/55/77/653265577.db2.gz WBCMAICVZHVXIA-LLVKDONJSA-N 1 0 377.413 1.050 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631904195 653265989 /nfs/dbraw/zinc/26/59/89/653265989.db2.gz GZYVLFIKNLETSG-UHFFFAOYSA-N 1 0 386.440 1.418 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCCOc1ccc(Cl)cc1Cl ZINC000631915182 653268912 /nfs/dbraw/zinc/26/89/12/653268912.db2.gz FMLQQXAORMHLCQ-LBPRGKRZSA-N 1 0 383.297 1.670 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000631917471 653269995 /nfs/dbraw/zinc/26/99/95/653269995.db2.gz KWZYCLKQXVTVIB-WFASDCNBSA-N 1 0 395.308 1.685 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCCc1cccc(Br)c1 ZINC000631918732 653270724 /nfs/dbraw/zinc/27/07/24/653270724.db2.gz KVBUFHZMBAFTDD-AWEZNQCLSA-N 1 0 377.304 1.290 20 0 GDADRO Cc1cc(Br)ccc1CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631918387 653270772 /nfs/dbraw/zinc/27/07/72/653270772.db2.gz BIUDXHPXQXFLBE-UHFFFAOYSA-N 1 0 376.320 1.776 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000631939033 653275139 /nfs/dbraw/zinc/27/51/39/653275139.db2.gz REDWOQONOISZML-NSHDSACASA-N 1 0 388.291 1.158 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000631948993 653277300 /nfs/dbraw/zinc/27/73/00/653277300.db2.gz VZFZVXNZHGQDJB-UHFFFAOYSA-N 1 0 377.413 1.069 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000631963475 653280096 /nfs/dbraw/zinc/28/00/96/653280096.db2.gz CYCYEFBPLLPRGY-LBPRGKRZSA-N 1 0 376.404 1.677 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cn1 ZINC000632268630 653326610 /nfs/dbraw/zinc/32/66/10/653326610.db2.gz VTNSYOJHCKEBQE-HNNXBMFYSA-N 1 0 381.274 1.671 20 0 GDADRO CN(Cc1cc(Cl)ccc1F)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632279389 653328276 /nfs/dbraw/zinc/32/82/76/653328276.db2.gz UNJUZKQKNGYDGR-UHFFFAOYSA-N 1 0 377.913 1.878 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC[N@@H+](C2CCC2)C1 ZINC000632361358 653345226 /nfs/dbraw/zinc/34/52/26/653345226.db2.gz XRAWEQNMMBJTLL-NSHDSACASA-N 1 0 380.436 1.934 20 0 GDADRO CN1CC[C@@H](N2CCC(NS(=O)(=O)c3cccc(Cl)c3F)CC2)C1=O ZINC000632490778 653362369 /nfs/dbraw/zinc/36/23/69/653362369.db2.gz QMDLCTOPNOZYCX-CYBMUJFWSA-N 1 0 389.880 1.453 20 0 GDADRO Cc1ccc(Cl)cc1S(=O)(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000632490920 653362565 /nfs/dbraw/zinc/36/25/65/653362565.db2.gz USZCEEVLBGKEQE-HNNXBMFYSA-N 1 0 385.917 1.622 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000632601005 653382421 /nfs/dbraw/zinc/38/24/21/653382421.db2.gz UWBZFHDMINMWRH-UHFFFAOYSA-N 1 0 385.477 1.824 20 0 GDADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000632638992 653390178 /nfs/dbraw/zinc/39/01/78/653390178.db2.gz GHAJVAUDRKIWNW-OAHLLOKOSA-N 1 0 378.560 1.091 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000633035326 653422553 /nfs/dbraw/zinc/42/25/53/653422553.db2.gz FAZFVZXJMGYTFA-PWSUYJOCSA-N 1 0 378.270 1.775 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000633087737 653426019 /nfs/dbraw/zinc/42/60/19/653426019.db2.gz MCJIXLCPZYLTSG-TZMCWYRMSA-N 1 0 382.302 1.503 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633099876 653427012 /nfs/dbraw/zinc/42/70/12/653427012.db2.gz RUAUWLBKKNBNBD-GASCZTMLSA-N 1 0 380.286 1.679 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000633108065 653427927 /nfs/dbraw/zinc/42/79/27/653427927.db2.gz YJXQHYPJBRRKAG-UHFFFAOYSA-N 1 0 386.265 1.744 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2F)CC[C@H]1[NH3+] ZINC000633107279 653427931 /nfs/dbraw/zinc/42/79/31/653427931.db2.gz YNTLKOOSAYVMOP-QMTHXVAHSA-N 1 0 386.265 1.742 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000633113229 653428565 /nfs/dbraw/zinc/42/85/65/653428565.db2.gz NWORVJMYHYFKBI-IUODEOHRSA-N 1 0 398.276 1.757 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000633114632 653428859 /nfs/dbraw/zinc/42/88/59/653428859.db2.gz DANBDOOWLORFJR-DFBGVHRSSA-N 1 0 396.285 1.297 20 0 GDADRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2c(Br)cnn2C)CC1 ZINC000633430791 653446041 /nfs/dbraw/zinc/44/60/41/653446041.db2.gz WNRRVWSZOAUDKG-UHFFFAOYSA-N 1 0 388.310 1.435 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCCC12CC2 ZINC000634724632 653497441 /nfs/dbraw/zinc/49/74/41/653497441.db2.gz UFRVENGNQKKUQX-MRXNPFEDSA-N 1 0 386.539 1.633 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CNS(=O)(=O)c1ccc(Cl)s1)C2 ZINC000634747196 653498064 /nfs/dbraw/zinc/49/80/64/653498064.db2.gz AXKOXWWHESXNQS-OKILXGFUSA-N 1 0 377.919 1.138 20 0 GDADRO CC1(C)C[NH2+]CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000634759056 653498277 /nfs/dbraw/zinc/49/82/77/653498277.db2.gz AZZSSVJGTBURNR-JTQLQIEISA-N 1 0 379.935 1.574 20 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ZINC000647234866 653624116 /nfs/dbraw/zinc/62/41/16/653624116.db2.gz CNCITBMSWPLOBK-NOZJJQNGSA-N 1 0 397.722 1.980 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CCO1 ZINC000647235136 653624175 /nfs/dbraw/zinc/62/41/75/653624175.db2.gz OJLFWXBXIYYAOH-NOZJJQNGSA-N 1 0 397.722 1.980 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647307142 653625884 /nfs/dbraw/zinc/62/58/84/653625884.db2.gz SNPPYRFTKJEPAK-CABCVRRESA-N 1 0 386.539 1.490 20 0 GDADRO COc1ncc(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000647322708 653625984 /nfs/dbraw/zinc/62/59/84/653625984.db2.gz JIOJFBOGKKPKTO-NSHDSACASA-N 1 0 375.878 1.120 20 0 GDADRO CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000647318839 653626024 /nfs/dbraw/zinc/62/60/24/653626024.db2.gz ATHKJPHRFRDNFH-AWEZNQCLSA-N 1 0 375.441 1.444 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(F)c1 ZINC000647322426 653626056 /nfs/dbraw/zinc/62/60/56/653626056.db2.gz VQMCWTJEZGWBCA-LLVKDONJSA-N 1 0 376.425 1.349 20 0 GDADRO O=C(CC[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)Nc1cccc(F)c1 ZINC000647530025 653628294 /nfs/dbraw/zinc/62/82/94/653628294.db2.gz FEGSCHSEOKVVLX-CQSZACIVSA-N 1 0 386.470 1.640 20 0 GDADRO CCCN(C(=O)C(=O)N(C)Cc1ccc(Br)o1)[C@H]1CC[N@H+](C)C1 ZINC000647568342 653628939 /nfs/dbraw/zinc/62/89/39/653628939.db2.gz LAJJVIOEIBUOLJ-LBPRGKRZSA-N 1 0 386.290 1.943 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000647603271 653630061 /nfs/dbraw/zinc/63/00/61/653630061.db2.gz LJOWIKKHFZKNGG-PWSUYJOCSA-N 1 0 379.404 1.322 20 0 GDADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN(C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815189 653635007 /nfs/dbraw/zinc/63/50/07/653635007.db2.gz SZWGEAVMIKDPMW-UHFFFAOYSA-N 1 0 386.905 1.142 20 0 GDADRO Cc1c(C(=O)N2CC[NH2+]CC2(C)C)cc(Br)cc1S(N)(=O)=O ZINC000647840888 653635945 /nfs/dbraw/zinc/63/59/45/653635945.db2.gz HUBKOHXIQSSOCR-UHFFFAOYSA-N 1 0 390.303 1.229 20 0 GDADRO COc1cc(Br)c(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1O ZINC000648065509 653638305 /nfs/dbraw/zinc/63/83/05/653638305.db2.gz GMODSOGPZOIFCR-LLVKDONJSA-N 1 0 386.290 1.715 20 0 GDADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648124116 653639352 /nfs/dbraw/zinc/63/93/52/653639352.db2.gz RNMZSGHKISIZJS-SMDDNHRTSA-N 1 0 381.270 1.973 20 0 GDADRO C[C@H]([NH3+])CNC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000648129390 653639764 /nfs/dbraw/zinc/63/97/64/653639764.db2.gz VWMNTCVPIPAYER-QWRGUYRKSA-N 1 0 384.274 1.380 20 0 GDADRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000648174514 653640677 /nfs/dbraw/zinc/64/06/77/653640677.db2.gz DUAJBGCRLDIKEA-FOLVSLTJSA-N 1 0 382.277 1.698 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648775442 653654869 /nfs/dbraw/zinc/65/48/69/653654869.db2.gz MNPQKCMWPCTJKW-GFCCVEGCSA-N 1 0 381.274 1.786 20 0 GDADRO COc1c(Br)ccc(F)c1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000648783181 653655465 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C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000649072966 653663385 /nfs/dbraw/zinc/66/33/85/653663385.db2.gz MEZFPSUAIRPCMA-SMDDNHRTSA-N 1 0 396.285 1.504 20 0 GDADRO C[NH+](C)CCN1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1=O ZINC000649688857 653672039 /nfs/dbraw/zinc/67/20/39/653672039.db2.gz QPJQOEHOBDDGER-CQSZACIVSA-N 1 0 390.311 1.439 20 0 GDADRO C[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1ccc(Br)cc1 ZINC000650306805 653691037 /nfs/dbraw/zinc/69/10/37/653691037.db2.gz AVCLQHORXJDERH-CYBMUJFWSA-N 1 0 382.302 1.785 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cnc2ncc(Br)cc2c1 ZINC000650583356 653697482 /nfs/dbraw/zinc/69/74/82/653697482.db2.gz KYSPHTMDKNWVCU-HNNXBMFYSA-N 1 0 393.285 1.969 20 0 GDADRO COCC[N@@H+]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)C(C)(C)C1 ZINC000650829134 653700215 /nfs/dbraw/zinc/70/02/15/653700215.db2.gz FHIISMSZBZQFGQ-UHFFFAOYSA-N 1 0 386.290 1.661 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000651611073 653838959 /nfs/dbraw/zinc/83/89/59/653838959.db2.gz HBTVLUUFAYXROH-UGFHNGPFSA-N 1 0 389.880 1.280 20 0 GDADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000651666104 653843156 /nfs/dbraw/zinc/84/31/56/653843156.db2.gz PXFLCYSXANXDOK-UHFFFAOYSA-N 1 0 388.555 1.858 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](CO)CCF ZINC000652018023 653876942 /nfs/dbraw/zinc/87/69/42/653876942.db2.gz ISAOQGVOMLHUJP-MFKMUULPSA-N 1 0 377.254 1.773 20 0 GDADRO [NH3+]CC1(CCNC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000652237280 653884909 /nfs/dbraw/zinc/88/49/09/653884909.db2.gz KBUYNYVNUDOWLC-UHFFFAOYSA-N 1 0 378.424 1.518 20 0 GDADRO C[C@H]1CCCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)[C@@H]1CC[NH3+] ZINC000652355348 653888493 /nfs/dbraw/zinc/88/84/93/653888493.db2.gz VVZSAJUVUVOFKM-XHDPSFHLSA-N 1 0 388.921 1.375 20 0 GDADRO O=S(=O)(c1ccc2c(c1)CS(=O)(=O)C2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000652371162 653889268 /nfs/dbraw/zinc/88/92/68/653889268.db2.gz KSAFUFNFCNIBTI-KGLIPLIRSA-N 1 0 384.523 1.125 20 0 GDADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000652478405 653892031 /nfs/dbraw/zinc/89/20/31/653892031.db2.gz AKVVVHNBSGOXGZ-UHFFFAOYSA-N 1 0 399.333 1.690 20 0 GDADRO CCO[C@@H]1CN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000652598984 653893923 /nfs/dbraw/zinc/89/39/23/653893923.db2.gz SSHJCQSRUXJUBE-ZWNOBZJWSA-N 1 0 375.878 1.571 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)c1 ZINC000652674135 653896065 /nfs/dbraw/zinc/89/60/65/653896065.db2.gz MPCRHYVHFBYTQR-UHFFFAOYSA-N 1 0 382.302 1.880 20 0 GDADRO C[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)c1cc2c(cc1Br)OCCO2 ZINC000653074354 653904950 /nfs/dbraw/zinc/90/49/50/653904950.db2.gz FNVIWSLAKICYNQ-MFKMUULPSA-N 1 0 386.290 1.677 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000653112984 653906598 /nfs/dbraw/zinc/90/65/98/653906598.db2.gz OVXRRQSSDHNBLC-CZUORRHYSA-N 1 0 383.334 1.671 20 0 GDADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653122526 653906835 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1.420 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655440271 653969593 /nfs/dbraw/zinc/96/95/93/653969593.db2.gz MGSWRFVQNYYXKO-GDZNZVCISA-N 1 0 383.286 1.695 20 0 GDADRO CS(=O)(=O)C1(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)CC[NH2+]CC1 ZINC000655501283 653971520 /nfs/dbraw/zinc/97/15/20/653971520.db2.gz VZAAXLINPHUZLD-UHFFFAOYSA-N 1 0 382.873 1.631 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655509118 653972653 /nfs/dbraw/zinc/97/26/53/653972653.db2.gz KCQLJTHTSSOTGJ-FSPLSTOPSA-N 1 0 388.209 1.635 20 0 GDADRO [NH3+]C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C(F)(F)F ZINC000655509053 653972727 /nfs/dbraw/zinc/97/27/27/653972727.db2.gz IMHWBPBQOKGSKI-KWQFWETISA-N 1 0 394.191 1.808 20 0 GDADRO Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc12 ZINC000655513159 653973243 /nfs/dbraw/zinc/97/32/43/653973243.db2.gz QQUMVGOFCWPIPQ-XCBNKYQSSA-N 1 0 377.392 1.067 20 0 GDADRO [NH3+]C[C@@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000655512803 653973402 /nfs/dbraw/zinc/97/34/02/653973402.db2.gz ZLKURDMFQPTWKN-GHMZBOCLSA-N 1 0 381.807 1.861 20 0 GDADRO Cc1cc(NC(=O)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000655915775 653993770 /nfs/dbraw/zinc/99/37/70/653993770.db2.gz XQZLCJOZWIEYSH-JTQLQIEISA-N 1 0 397.195 1.885 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCc1cc(Cl)ccc1N1CCOCC1)C(F)(F)F ZINC000655927911 653994746 /nfs/dbraw/zinc/99/47/46/653994746.db2.gz KMIBOERKUFZWLM-ZDUSSCGKSA-N 1 0 380.798 1.865 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1Br ZINC000655957251 653996173 /nfs/dbraw/zinc/99/61/73/653996173.db2.gz SVFBWRSUXZFLBZ-SSDOTTSWSA-N 1 0 386.143 1.841 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c(Br)c1 ZINC000655957296 653996216 /nfs/dbraw/zinc/99/62/16/653996216.db2.gz UQLCZLCMTPSDHG-SECBINFHSA-N 1 0 384.152 1.402 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C(F)(F)F ZINC000655959561 653996818 /nfs/dbraw/zinc/99/68/18/653996818.db2.gz WLYRLZGAOGIYHC-SSDOTTSWSA-N 1 0 390.106 1.672 20 0 GDADRO Cn1cc(Br)c(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000656165752 654007673 /nfs/dbraw/zinc/00/76/73/654007673.db2.gz FHBWRPYCEURXKV-ZDUSSCGKSA-N 1 0 399.337 1.104 20 0 GDADRO [NH3+]CCCCn1cc(CN2C(=O)COc3ccc(Br)cc32)nn1 ZINC000656439713 654030687 /nfs/dbraw/zinc/03/06/87/654030687.db2.gz UVAQWNHFZZHXOG-UHFFFAOYSA-N 1 0 380.246 1.705 20 0 GDADRO CC[C@@H](C)CC[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000656705617 654047581 /nfs/dbraw/zinc/04/75/81/654047581.db2.gz RGXDUGZYFCYKFQ-CQSZACIVSA-N 1 0 376.544 1.736 20 0 GDADRO CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)CC1CCCCC1)[C@H]1CCOC1 ZINC000656909218 654070001 /nfs/dbraw/zinc/07/00/01/654070001.db2.gz YWPGHHROLMSJIK-ROUUACIJSA-N 1 0 376.563 1.812 20 0 GDADRO CO[C@H](CS(=O)(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000656919977 654072562 /nfs/dbraw/zinc/07/25/62/654072562.db2.gz VVWBJNDUKQTURG-ZWKOTPCHSA-N 1 0 375.579 1.383 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)C1 ZINC000656923352 654073122 /nfs/dbraw/zinc/07/31/22/654073122.db2.gz RMUDGAZITQXYTD-OAHLLOKOSA-N 1 0 385.555 1.758 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ncccc2Br)CC1 ZINC000656965889 654079966 /nfs/dbraw/zinc/07/99/66/654079966.db2.gz QGZWRYISVAUHFG-GFCCVEGCSA-N 1 0 391.335 1.148 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cc(Br)ccc1F ZINC000657093342 654109359 /nfs/dbraw/zinc/10/93/59/654109359.db2.gz YIPNVJADBSQEEE-UHFFFAOYSA-N 1 0 396.326 1.750 20 0 GDADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)C(C)(C)n1cncn1 ZINC000658091272 654181542 /nfs/dbraw/zinc/18/15/42/654181542.db2.gz DABNPHCPZOQLOC-NSHDSACASA-N 1 0 381.278 1.579 20 0 GDADRO CCN(C(=O)C(=O)Nc1cc(Br)cc(OC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658359856 654185152 /nfs/dbraw/zinc/18/51/52/654185152.db2.gz FWUBAJWGWWWOPU-CYBMUJFWSA-N 1 0 384.274 1.949 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000658371650 654185826 /nfs/dbraw/zinc/18/58/26/654185826.db2.gz GFNHQZYHVHXIIA-QPUJVOFHSA-N 1 0 397.266 1.334 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000658379487 654186995 /nfs/dbraw/zinc/18/69/95/654186995.db2.gz QBYTXDXMYWMFPR-CYBMUJFWSA-N 1 0 381.267 1.956 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1OC(F)(F)F ZINC000658381373 654187637 /nfs/dbraw/zinc/18/76/37/654187637.db2.gz KRWNCECGLWMHTR-JTQLQIEISA-N 1 0 388.795 1.895 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc1Br ZINC000658389123 654188984 /nfs/dbraw/zinc/18/89/84/654188984.db2.gz HPFADLPNBSKQKT-UHFFFAOYSA-N 1 0 381.292 1.824 20 0 GDADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000658407401 654190675 /nfs/dbraw/zinc/19/06/75/654190675.db2.gz OYBJPXRXTXMXLZ-CQSZACIVSA-N 1 0 389.543 1.123 20 0 GDADRO Cn1cc(Br)c2ccc(S(=O)(=O)NCC34CC(C3)C[NH2+]4)cc21 ZINC000658407283 654190774 /nfs/dbraw/zinc/19/07/74/654190774.db2.gz MMJFZYUEQMLPCY-UHFFFAOYSA-N 1 0 384.299 1.971 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000659112756 654215146 /nfs/dbraw/zinc/21/51/46/654215146.db2.gz KZHOMYIVLKZVNW-LLVKDONJSA-N 1 0 394.273 1.357 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c(Cl)cc1Br ZINC000659074544 654215282 /nfs/dbraw/zinc/21/52/82/654215282.db2.gz LSSMTYFBXYSWHX-QMMMGPOBSA-N 1 0 390.665 1.870 20 0 GDADRO C[C@@H](CCS(C)(=O)=O)NC(=O)c1sc2c(c1Br)CNC2 ZINC000659257368 654219119 /nfs/dbraw/zinc/21/91/19/654219119.db2.gz AJMYOYFYKXHDJP-ZETCQYMHSA-N 1 0 381.317 1.667 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000659289099 654220824 /nfs/dbraw/zinc/22/08/24/654220824.db2.gz BOEOOPMAVQVSSH-UHFFFAOYSA-N 1 0 395.261 1.066 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(Br)ccc3-n3cnnn3)C[C@@H]21 ZINC000659303406 654221392 /nfs/dbraw/zinc/22/13/92/654221392.db2.gz GXZHXWCXGGANBM-DDTOSNHZSA-N 1 0 391.273 1.624 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H]1C(F)(F)F ZINC000659335677 654222974 /nfs/dbraw/zinc/22/29/74/654222974.db2.gz BNAUDYHPZNBJHR-KYKFVJMVSA-N 1 0 382.448 1.574 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1F ZINC000659389572 654225220 /nfs/dbraw/zinc/22/52/20/654225220.db2.gz WHYHZPMNNSEJDN-NXEZZACHSA-N 1 0 397.241 1.503 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)NCC12CC(C1)C[NH2+]2 ZINC000659617585 654230413 /nfs/dbraw/zinc/23/04/13/654230413.db2.gz SLVAXHZLNZSMHV-BWBHSNQOSA-N 1 0 384.274 1.240 20 0 GDADRO Cn1cc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)c(C(F)(F)F)n1 ZINC000660148592 654241206 /nfs/dbraw/zinc/24/12/06/654241206.db2.gz APKBTTJIKXUCBF-UHFFFAOYSA-N 1 0 380.436 1.839 20 0 GDADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000660555977 654254291 /nfs/dbraw/zinc/25/42/91/654254291.db2.gz CTZCYKLIWPLOFS-BBWFWOEESA-N 1 0 375.579 1.478 20 0 GDADRO C[C@@H](NC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1)C1=CC[N@H+](C)CC1 ZINC000661009340 654260585 /nfs/dbraw/zinc/26/05/85/654260585.db2.gz HRANVPXHFOHYMW-LLVKDONJSA-N 1 0 384.527 1.114 20 0 GDADRO CN(CCCNC(=O)C[N@H+](C)C1CC(C)(C)CC(C)(C)C1)S(C)(=O)=O ZINC000661536528 654275081 /nfs/dbraw/zinc/27/50/81/654275081.db2.gz VWQQVACFXKJKIZ-UHFFFAOYSA-N 1 0 375.579 1.921 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccc(Br)cc2)CC1)N1CCOCC1 ZINC000661576159 654276336 /nfs/dbraw/zinc/27/63/36/654276336.db2.gz GPLCWNXQMNINOV-UHFFFAOYSA-N 1 0 382.302 1.820 20 0 GDADRO O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662249002 654290427 /nfs/dbraw/zinc/29/04/27/654290427.db2.gz GYTOQONNLCYDSX-LBPRGKRZSA-N 1 0 394.324 1.288 20 0 GDADRO [NH3+]CCN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C[C@@H](O)CO ZINC000662288487 654292104 /nfs/dbraw/zinc/29/21/04/654292104.db2.gz IJWZMTGNDUZYHK-CJNGLKHVSA-N 1 0 390.311 1.271 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN(C)CC(C)(C)[NH3+] ZINC000662297762 654292466 /nfs/dbraw/zinc/29/24/66/654292466.db2.gz QRQMDVUYECDNGV-UHFFFAOYSA-N 1 0 399.333 1.824 20 0 GDADRO C[C@@H]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000662311941 654292604 /nfs/dbraw/zinc/29/26/04/654292604.db2.gz CSPBKJNSKNINRP-OLZOCXBDSA-N 1 0 397.317 1.563 20 0 GDADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662476684 654295339 /nfs/dbraw/zinc/29/53/39/654295339.db2.gz OJGOCWXAXBKISY-MRVPVSSYSA-N 1 0 390.245 1.450 20 0 GDADRO C[C@@H](CC(=O)NCCNC(=O)c1ccc(Br)cn1)C1CC[NH2+]CC1 ZINC000662620825 654298486 /nfs/dbraw/zinc/29/84/86/654298486.db2.gz CEUFTYPKTVUQHA-LBPRGKRZSA-N 1 0 397.317 1.716 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@H]1C(F)(F)F ZINC000662623837 654299135 /nfs/dbraw/zinc/29/91/35/654299135.db2.gz LIVPBEJXKXBTIL-BFHYXJOUSA-N 1 0 376.400 1.307 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2sc(Br)cc2C1 ZINC000662687421 654299959 /nfs/dbraw/zinc/29/99/59/654299959.db2.gz CANZXLPPDZHHCS-NSHDSACASA-N 1 0 386.315 1.654 20 0 GDADRO O=C(Nc1cc(Br)c[nH]c1=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662692766 654300586 /nfs/dbraw/zinc/30/05/86/654300586.db2.gz GJZQOEFTMWQLLW-JTQLQIEISA-N 1 0 381.234 1.708 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)c2cc(Br)c3c(c2)OCCO3)n1 ZINC000662751386 654301613 /nfs/dbraw/zinc/30/16/13/654301613.db2.gz ARWPWVFMWNZSBS-UHFFFAOYSA-N 1 0 395.213 1.105 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000662821528 654304008 /nfs/dbraw/zinc/30/40/08/654304008.db2.gz GWCPEABNWJOVCT-HOTGVXAUSA-N 1 0 382.302 1.457 20 0 GDADRO [NH3+]CCc1nc(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)cs1 ZINC000662847069 654306891 /nfs/dbraw/zinc/30/68/91/654306891.db2.gz UNYBXJNQOFQOJO-UHFFFAOYSA-N 1 0 380.495 1.432 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@H]1C(F)(F)F ZINC000662848889 654307891 /nfs/dbraw/zinc/30/78/91/654307891.db2.gz BFKRBWKLCLTIFZ-MGPQQGTHSA-N 1 0 376.400 1.135 20 0 GDADRO NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)s1 ZINC000662867723 654313803 /nfs/dbraw/zinc/31/38/03/654313803.db2.gz NJRHGDKQRWMENY-HUUCEWRRSA-N 1 0 379.507 1.200 20 0 GDADRO CC(=O)N1CCCc2ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc21 ZINC000663309228 654332161 /nfs/dbraw/zinc/33/21/61/654332161.db2.gz BAQCFVFSZMRULG-AWEZNQCLSA-N 1 0 379.404 1.496 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1F ZINC000663312968 654333287 /nfs/dbraw/zinc/33/32/87/654333287.db2.gz NOZOGBHQVUFKHP-CQSZACIVSA-N 1 0 379.479 1.006 20 0 GDADRO CC(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)[NH+]1CCCC1 ZINC000663380231 654336114 /nfs/dbraw/zinc/33/61/14/654336114.db2.gz UGRBEMYGKUDTHR-HNNXBMFYSA-N 1 0 389.543 1.270 20 0 GDADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3cc(Br)cnn3)C[C@H]2C)CC1 ZINC000663721517 654350021 /nfs/dbraw/zinc/35/00/21/654350021.db2.gz UTQHWDIVIHKQCE-IUODEOHRSA-N 1 0 382.306 1.618 20 0 GDADRO Cc1ccsc1-c1nsc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)n1 ZINC000663882173 654358910 /nfs/dbraw/zinc/35/89/10/654358910.db2.gz ILXVXVYQMWLOFH-WDEREUQCSA-N 1 0 377.495 1.676 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000663902175 654360288 /nfs/dbraw/zinc/36/02/88/654360288.db2.gz NAPDEHYPGYYEHX-UHFFFAOYSA-N 1 0 397.317 1.772 20 0 GDADRO Cn1cc(Br)cc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1=O ZINC000666288145 654422873 /nfs/dbraw/zinc/42/28/73/654422873.db2.gz WLUYHCQLWXNVTJ-CYBMUJFWSA-N 1 0 399.289 1.523 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2nc3ccc(Br)cn3n2)cn1 ZINC000666319409 654424192 /nfs/dbraw/zinc/42/41/92/654424192.db2.gz JTEWAGWKSQITFD-UHFFFAOYSA-N 1 0 378.234 1.502 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000731847787 654447770 /nfs/dbraw/zinc/44/77/70/654447770.db2.gz YZTCRPCMTXKTMH-YOEHRIQHSA-N 1 0 377.551 1.989 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CCO1 ZINC000667403009 654448530 /nfs/dbraw/zinc/44/85/30/654448530.db2.gz RCZKWEVCXYQTEC-PELKAZGASA-N 1 0 390.665 1.616 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCO1 ZINC000667403640 654448967 /nfs/dbraw/zinc/44/89/67/654448967.db2.gz WRSOWIHTOUNSTQ-PRHODGIISA-N 1 0 390.665 1.616 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667504739 654453093 /nfs/dbraw/zinc/45/30/93/654453093.db2.gz JLOQFXVHCSSTJH-NSHDSACASA-N 1 0 384.274 1.963 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1Br ZINC000667535375 654453819 /nfs/dbraw/zinc/45/38/19/654453819.db2.gz GIQZLIUCJMYAPM-FZMZJTMJSA-N 1 0 396.285 1.997 20 0 GDADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667535675 654454095 /nfs/dbraw/zinc/45/40/95/654454095.db2.gz PDNVACLDXYBIEJ-PELKAZGASA-N 1 0 388.212 1.876 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000667557948 654455418 /nfs/dbraw/zinc/45/54/18/654455418.db2.gz OKSRUDAISHTKNF-LURJTMIESA-N 1 0 379.052 1.614 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C[C@H]1[NH3+] ZINC000667692807 654459194 /nfs/dbraw/zinc/45/91/94/654459194.db2.gz BRSQHOQOLOQDDB-LHLIQPBNSA-N 1 0 378.629 1.986 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)ccc1Cl ZINC000732159457 654462095 /nfs/dbraw/zinc/46/20/95/654462095.db2.gz LAMRNZHNOVGXPF-OAHLLOKOSA-N 1 0 385.917 1.757 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000732203512 654463097 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CN(CC(F)(F)Br)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000841130155 655309293 /nfs/dbraw/zinc/30/92/93/655309293.db2.gz KWCOUBZZCLWONH-UHFFFAOYSA-N 1 0 380.189 1.409 20 0 GDADRO Cc1cc(C[C@H](C)[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)[nH]n1 ZINC000767930787 655309544 /nfs/dbraw/zinc/30/95/44/655309544.db2.gz XVFBSUODMRMBNF-HZMBPMFUSA-N 1 0 385.921 1.957 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCC([NH3+])CC2)cnc(Cl)c1Br ZINC000841143321 655310126 /nfs/dbraw/zinc/31/01/26/655310126.db2.gz YDJAQDBGUQQGBW-UHFFFAOYSA-N 1 0 375.654 1.694 20 0 GDADRO Cn1cc(NC(=O)NCc2ccc(CC[NH3+])cc2)cc(Br)c1=O ZINC000841146016 655310375 /nfs/dbraw/zinc/31/03/75/655310375.db2.gz KSAWKIPCTPNDLM-UHFFFAOYSA-N 1 0 379.258 1.971 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cnc(Cl)c1Br ZINC000841162214 655311361 /nfs/dbraw/zinc/31/13/61/655311361.db2.gz YRFKMIJJEZCLNR-ZETCQYMHSA-N 1 0 375.654 1.565 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841168278 655311762 /nfs/dbraw/zinc/31/17/62/655311762.db2.gz 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GDADRO CCCN(C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CC[NH2+]C1 ZINC000841859087 655354176 /nfs/dbraw/zinc/35/41/76/655354176.db2.gz XYBVSNCWHHQZSC-GFCCVEGCSA-N 1 0 386.440 1.084 20 0 GDADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000842185273 655358013 /nfs/dbraw/zinc/35/80/13/655358013.db2.gz YHFMTLXZUOKJKW-PMPSAXMXSA-N 1 0 377.535 1.402 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)C1 ZINC000842210515 655358922 /nfs/dbraw/zinc/35/89/22/655358922.db2.gz BXMGVGBJKIKHKX-KWQFWETISA-N 1 0 376.766 1.855 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2F)CC[C@@H]1[NH3+] ZINC000842216907 655359340 /nfs/dbraw/zinc/35/93/40/655359340.db2.gz QTOXRUVBIZUMJW-YGRLFVJLSA-N 1 0 386.265 1.443 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)NCCc2ccc(Br)cc2F)CC1 ZINC000842216875 655359427 /nfs/dbraw/zinc/35/94/27/655359427.db2.gz POGLISZGLWBVRX-UHFFFAOYSA-N 1 0 386.265 1.587 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000842223246 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SKULWMULHOQFNN-UWVGGRQHSA-N 1 0 386.417 1.386 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000842483477 655367529 /nfs/dbraw/zinc/36/75/29/655367529.db2.gz KVIHIRCCJYEUDM-VIFPVBQESA-N 1 0 386.948 1.471 20 0 GDADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)nc1Cl ZINC000842483294 655367559 /nfs/dbraw/zinc/36/75/59/655367559.db2.gz IXWHGMIJZPFFGN-UHFFFAOYSA-N 1 0 393.340 1.883 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000842485455 655368078 /nfs/dbraw/zinc/36/80/78/655368078.db2.gz OTQFNIJHGVRPGJ-AWEZNQCLSA-N 1 0 375.288 1.974 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@H]1C[NH3+] ZINC000842485761 655368141 /nfs/dbraw/zinc/36/81/41/655368141.db2.gz LXHITZTXYUONDY-RKDXNWHRSA-N 1 0 386.948 1.410 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000842486167 655368262 /nfs/dbraw/zinc/36/82/62/655368262.db2.gz TYXVTMBGMXFGCH-GHMZBOCLSA-N 1 0 380.919 1.349 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000842508789 655368460 /nfs/dbraw/zinc/36/84/60/655368460.db2.gz FWFPEUQAUXRFCU-JTQLQIEISA-N 1 0 391.287 1.042 20 0 GDADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Br)cc2F)C1 ZINC000842684165 655371131 /nfs/dbraw/zinc/37/11/31/655371131.db2.gz YAAGBWMAYYBTMX-MRVPVSSYSA-N 1 0 395.250 1.357 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000842696009 655371568 /nfs/dbraw/zinc/37/15/68/655371568.db2.gz IRQUXTBDRNCKOD-JTQLQIEISA-N 1 0 391.287 1.595 20 0 GDADRO O=S(=O)(NC[C@@H]1CCCC[NH2+]1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842697469 655371698 /nfs/dbraw/zinc/37/16/98/655371698.db2.gz PNZOIDKNRMIXEG-JTQLQIEISA-N 1 0 386.417 1.401 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000842699867 655371981 /nfs/dbraw/zinc/37/19/81/655371981.db2.gz REZFNPHMZNKCMZ-MNOVXSKESA-N 1 0 379.404 1.854 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(Br)o1 ZINC000842719583 655373430 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387.299 1.677 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000842794758 655377639 /nfs/dbraw/zinc/37/76/39/655377639.db2.gz WOQBNQOYHIRLGY-BDAKNGLRSA-N 1 0 381.267 1.955 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)/C=C\c1ccccc1Cl ZINC000842796195 655377672 /nfs/dbraw/zinc/37/76/72/655377672.db2.gz ZHSFUXBBFBNWCT-HMVFGEFZSA-N 1 0 385.917 1.960 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000842799707 655377989 /nfs/dbraw/zinc/37/79/89/655377989.db2.gz ZWUYEIJATIUGIZ-YHVDPYDOSA-N 1 0 385.917 1.960 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842834920 655380286 /nfs/dbraw/zinc/38/02/86/655380286.db2.gz CJSZKNIKTMFJCO-SKDRFNHKSA-N 1 0 386.417 1.256 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842836304 655380437 /nfs/dbraw/zinc/38/04/37/655380437.db2.gz QPXWLZGOTZCRPM-VHSXEESVSA-N 1 0 386.417 1.256 20 0 GDADRO O=S(=O)(/C=C/c1ccc(F)cc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F 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GDADRO O=C(Nc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1)C(F)(F)F ZINC000842894809 655383372 /nfs/dbraw/zinc/38/33/72/655383372.db2.gz SMWZKGASXISVQN-SNVBAGLBSA-N 1 0 387.330 1.463 20 0 GDADRO C[C@](O)(C[NH2+]CCCN1C(=O)CNC1=O)c1ccc(Br)cc1F ZINC000819042035 655383696 /nfs/dbraw/zinc/38/36/96/655383696.db2.gz ZARRFRUEGCXXNJ-HNNXBMFYSA-N 1 0 388.237 1.327 20 0 GDADRO CCNS(=O)(=O)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819043313 655383804 /nfs/dbraw/zinc/38/38/04/655383804.db2.gz RRPHIJFTPYGJLS-ZDUSSCGKSA-N 1 0 383.283 1.325 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000819054314 655384093 /nfs/dbraw/zinc/38/40/93/655384093.db2.gz NCVXONACVHCMKA-RHSMWYFYSA-N 1 0 376.519 1.305 20 0 GDADRO CS(=O)(=O)CCOCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819105995 655385849 /nfs/dbraw/zinc/38/58/49/655385849.db2.gz RIEMFJZKLVHHBM-ZDUSSCGKSA-N 1 0 384.267 1.272 20 0 GDADRO O=C(CC[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)Nc1ccccc1 ZINC000819150635 655387023 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O=S(=O)(CC[NH2+]C[C@@H](O)c1cccc(Br)c1)C1CCOCC1 ZINC000819348396 655390392 /nfs/dbraw/zinc/39/03/92/655390392.db2.gz DGRZOLSFKAHAFK-OAHLLOKOSA-N 1 0 392.315 1.666 20 0 GDADRO CSc1ccc(OC[C@H](O)C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1 ZINC000819349303 655390442 /nfs/dbraw/zinc/39/04/42/655390442.db2.gz KOGOTAYHHADOFA-CQSZACIVSA-N 1 0 389.539 1.332 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NC2CCC([NH3+])CC2)sc1Br ZINC000843325243 655392623 /nfs/dbraw/zinc/39/26/23/655392623.db2.gz PZYMUDRTEUOBLR-UHFFFAOYSA-N 1 0 382.305 1.158 20 0 GDADRO O=C(/C=C\c1ccc(Br)o1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843318130 655392469 /nfs/dbraw/zinc/39/24/69/655392469.db2.gz YPJGHUCIADEMOB-AGLBCWCQSA-N 1 0 396.285 1.726 20 0 GDADRO C[C@H](CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)NS(=O)(=O)c1cccnc1Cl ZINC000843324631 655392640 /nfs/dbraw/zinc/39/26/40/655392640.db2.gz PRGPBCRENZQTGX-AGIUHOORSA-N 1 0 388.921 1.296 20 0 GDADRO CCCN(C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)[C@H]1CC[NH2+]C1 ZINC000843337029 655392939 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385.917 1.947 20 0 GDADRO CC(C)(CCC[NH3+])NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000843481686 655396485 /nfs/dbraw/zinc/39/64/85/655396485.db2.gz MUXIKQQKIIDZCO-UHFFFAOYSA-N 1 0 384.321 1.405 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@H](CC[NH3+])C(F)F)ccc1Cl ZINC000843484686 655396615 /nfs/dbraw/zinc/39/66/15/655396615.db2.gz VDJVSXZIOFCHDC-SNVBAGLBSA-N 1 0 385.820 1.234 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843483490 655396617 /nfs/dbraw/zinc/39/66/17/655396617.db2.gz CVRJRYZDRMXTSA-ZDUSSCGKSA-N 1 0 380.495 1.168 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000843509130 655397270 /nfs/dbraw/zinc/39/72/70/655397270.db2.gz WQSPBGWMPOPVGT-VXGBXAGGSA-N 1 0 388.921 1.378 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)/C=C/c3ccc(Br)o3)CC2)C1=O ZINC000843885174 655402606 /nfs/dbraw/zinc/40/26/06/655402606.db2.gz GVTSHXRYNLERIO-LYKUJDHUSA-N 1 0 396.285 1.867 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000844035310 655405552 /nfs/dbraw/zinc/40/55/52/655405552.db2.gz NFCWKFJRRGUFOB-IAQYHMDHSA-N 1 0 388.295 1.995 20 0 GDADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)CC1 ZINC000820323239 655408135 /nfs/dbraw/zinc/40/81/35/655408135.db2.gz MALKZKXXCKDYGJ-OAHLLOKOSA-N 1 0 396.285 1.391 20 0 GDADRO CC1(C)C[NH2+]CCN1C(=O)c1cccn2c(I)cnc12 ZINC000844166136 655408190 /nfs/dbraw/zinc/40/81/90/655408190.db2.gz PQWXJAAXFBZZGE-UHFFFAOYSA-N 1 0 384.221 1.763 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000844184159 655408376 /nfs/dbraw/zinc/40/83/76/655408376.db2.gz ARBGEEOYAYHSPE-ZIAGYGMSSA-N 1 0 382.302 1.913 20 0 GDADRO O=S(=O)(/C=C\c1cccc(Br)c1)NCCCN1CC[NH2+]CC1 ZINC000844227050 655408757 /nfs/dbraw/zinc/40/87/57/655408757.db2.gz RMFJRQOVGOXZPP-XGICHPGQSA-N 1 0 388.331 1.635 20 0 GDADRO CC(C)(C)OC(=O)NCCC1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000844442530 655410439 /nfs/dbraw/zinc/41/04/39/655410439.db2.gz JAJAXYKCNKJKKE-UHFFFAOYSA-N 1 0 375.535 1.649 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2ccncc2NC(=O)C(F)(F)F)CCSC1 ZINC000820581046 655412165 /nfs/dbraw/zinc/41/21/65/655412165.db2.gz ILLPPMJRECENIM-CQSZACIVSA-N 1 0 376.404 1.750 20 0 GDADRO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)N=S(C)(C)=O ZINC000820786009 655416469 /nfs/dbraw/zinc/41/64/69/655416469.db2.gz QZCDSHGSMHVTGD-UHFFFAOYSA-N 1 0 377.532 1.469 20 0 GDADRO CC(C)(C)OC(=O)NCCC1CC([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000845944796 655439673 /nfs/dbraw/zinc/43/96/73/655439673.db2.gz GODYAEWPJIDMOA-SHARSMKWSA-N 1 0 375.535 1.551 20 0 GDADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000846032246 655445607 /nfs/dbraw/zinc/44/56/07/655445607.db2.gz CKTGKIKNMPCMMH-KFWWJZLASA-N 1 0 375.535 1.646 20 0 GDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(N)nc(Br)c1 ZINC000822506899 655446632 /nfs/dbraw/zinc/44/66/32/655446632.db2.gz RLJMSHNVBWDFGO-LLVKDONJSA-N 1 0 383.290 1.752 20 0 GDADRO CCN1C[C@H](C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1=O ZINC000846092308 655447094 /nfs/dbraw/zinc/44/70/94/655447094.db2.gz CBYWKNIOZHMTQU-QWHCGFSZSA-N 1 0 388.921 1.163 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)Br ZINC000846146282 655448793 /nfs/dbraw/zinc/44/87/93/655448793.db2.gz MKFAHJAXGKPYNO-VIFPVBQESA-N 1 0 388.253 1.935 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)s1 ZINC000846235469 655450539 /nfs/dbraw/zinc/45/05/39/655450539.db2.gz WFNVUHZTKQFWRW-UHFFFAOYSA-N 1 0 375.516 1.315 20 0 GDADRO COc1nc(Br)ccc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000822902859 655453334 /nfs/dbraw/zinc/45/33/34/655453334.db2.gz YYQMDXCWDYKTFB-LBPRGKRZSA-N 1 0 399.289 1.916 20 0 GDADRO CO[C@H](C[NH3+])Cc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000822946921 655454285 /nfs/dbraw/zinc/45/42/85/655454285.db2.gz KBUORQUTBKLHRR-JTQLQIEISA-N 1 0 384.230 1.710 20 0 GDADRO Cc1c(Cl)c(C(=O)Nc2cnn(CC[NH+](C)C)c2)sc1S(N)(=O)=O ZINC000846557400 655456381 /nfs/dbraw/zinc/45/63/81/655456381.db2.gz IXEJDTKULYMVLB-UHFFFAOYSA-N 1 0 391.906 1.368 20 0 GDADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000846671543 655458775 /nfs/dbraw/zinc/45/87/75/655458775.db2.gz VKKMKJVFOQCEST-NSHDSACASA-N 1 0 378.445 1.332 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)ccc1Br ZINC000846698568 655459077 /nfs/dbraw/zinc/45/90/77/655459077.db2.gz JHQGUUBRTPRLQW-ZJUUUORDSA-N 1 0 391.287 1.736 20 0 GDADRO O=C1C[C@@H](c2nc(N3CC[NH2+]CC3)no2)CN1c1cccc(Br)c1 ZINC000823320732 655460378 /nfs/dbraw/zinc/46/03/78/655460378.db2.gz IJRYHDYUOMMKJW-LLVKDONJSA-N 1 0 392.257 1.762 20 0 GDADRO O=C1C[C@@H](c2nc(N3CC[NH2+]CC3)no2)CN1c1ccccc1Br ZINC000823321243 655460387 /nfs/dbraw/zinc/46/03/87/655460387.db2.gz WUOSQQFUVKMXGT-LLVKDONJSA-N 1 0 392.257 1.762 20 0 GDADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000823394958 655462135 /nfs/dbraw/zinc/46/21/35/655462135.db2.gz GZLLVRBOOHKTAT-OAHLLOKOSA-N 1 0 377.551 1.751 20 0 GDADRO O=C(c1csc(Br)n1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000823435026 655463112 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C[NH+](C)CCn1cc(NC(=O)c2cnc(F)c(Br)c2)ccc1=O ZINC000847611714 655473165 /nfs/dbraw/zinc/47/31/65/655473165.db2.gz LEWAHJKFLXXHLH-UHFFFAOYSA-N 1 0 383.221 1.959 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)ccc1Cl ZINC000825168361 655484937 /nfs/dbraw/zinc/48/49/37/655484937.db2.gz HPPHKXJQVFYHPW-AWEZNQCLSA-N 1 0 389.905 1.640 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cn(-c2ccccc2Br)nn1 ZINC000825182831 655485304 /nfs/dbraw/zinc/48/53/04/655485304.db2.gz BOGWXFTZOHMLDK-LLVKDONJSA-N 1 0 380.246 1.138 20 0 GDADRO C[C@]([NH3+])(C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(Br)cc1 ZINC000848443770 655490413 /nfs/dbraw/zinc/49/04/13/655490413.db2.gz COUBTDCQOINCKW-CZUORRHYSA-N 1 0 382.258 1.722 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]Cc2cc3n(n2)CCCC3)CC1)C(F)(F)F ZINC000848536217 655496456 /nfs/dbraw/zinc/49/64/56/655496456.db2.gz ONYNWBKMGXKHRX-UHFFFAOYSA-N 1 0 380.436 1.871 20 0 GDADRO COCC[N@H+]1[C@H](C)CN(c2ncc(I)cn2)C[C@@H]1C ZINC000826629457 655499473 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20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000827544821 655512900 /nfs/dbraw/zinc/51/29/00/655512900.db2.gz LMTSTEFZDMCYJO-JTQLQIEISA-N 1 0 392.319 1.557 20 0 GDADRO COc1ccc(NC(=[NH2+])NCCNS(=O)(=O)Cc2ccon2)cc1Cl ZINC000849102156 655517313 /nfs/dbraw/zinc/51/73/13/655517313.db2.gz BUWNEBHQRXQHIF-UHFFFAOYSA-N 1 0 387.849 1.392 20 0 GDADRO COc1ccccc1CNC(=[NH2+])NCc1nn(C)cc1I ZINC000849116813 655517575 /nfs/dbraw/zinc/51/75/75/655517575.db2.gz NZKOVYDWQAKIQB-UHFFFAOYSA-N 1 0 399.236 1.847 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[NH+](C)C ZINC000849428436 655533540 /nfs/dbraw/zinc/53/35/40/655533540.db2.gz ATYGJLMQWBOWTK-SNVBAGLBSA-N 1 0 388.433 1.599 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cncc(Br)c1 ZINC000849429421 655533699 /nfs/dbraw/zinc/53/36/99/655533699.db2.gz PYQBILAYRQKSGW-UHFFFAOYSA-N 1 0 379.324 1.006 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000849429730 655533830 /nfs/dbraw/zinc/53/38/30/655533830.db2.gz VBSXQYSJUKEBFK-UHFFFAOYSA-N 1 0 385.921 1.445 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)CCC2 ZINC000850495455 655556620 /nfs/dbraw/zinc/55/66/20/655556620.db2.gz DKOITXBBQVTKGX-ZLOXQWCVSA-N 1 0 384.445 1.612 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000850505288 655557007 /nfs/dbraw/zinc/55/70/07/655557007.db2.gz AITKDYIRFCMABR-SNVBAGLBSA-N 1 0 399.289 1.780 20 0 GDADRO C[C@@H]([NH2+]CCc1ccoc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850531693 655557373 /nfs/dbraw/zinc/55/73/73/655557373.db2.gz MOSVHNMTNVTCHI-CYBMUJFWSA-N 1 0 386.495 1.899 20 0 GDADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000850591845 655559614 /nfs/dbraw/zinc/55/96/14/655559614.db2.gz BRBYYQSECSDMHD-GFCCVEGCSA-N 1 0 388.433 1.632 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N[C@@H](C)C[NH2+]C)c1 ZINC000850593675 655559927 /nfs/dbraw/zinc/55/99/27/655559927.db2.gz CGZGBSCWZIBPFD-JTQLQIEISA-N 1 0 393.303 1.820 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850822426 655568872 /nfs/dbraw/zinc/56/88/72/655568872.db2.gz NLFHYIGVJNDZFG-SECBINFHSA-N 1 0 384.893 1.625 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1 ZINC000850822225 655568907 /nfs/dbraw/zinc/56/89/07/655568907.db2.gz YKQKPRPNMVXENW-SECBINFHSA-N 1 0 382.877 1.346 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)[C@@H](C)C[NH2+]1 ZINC000850824577 655568999 /nfs/dbraw/zinc/56/89/99/655568999.db2.gz WBWIXBYPNDATTL-BDAKNGLRSA-N 1 0 382.877 1.344 20 0 GDADRO O=C(OCc1nc2ncc(Br)cn2n1)C1CC[NH+](C2CC2)CC1 ZINC000851568458 655588443 /nfs/dbraw/zinc/58/84/43/655588443.db2.gz ZPZRRECYAUEKPA-UHFFFAOYSA-N 1 0 380.246 1.804 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000851661526 655590036 /nfs/dbraw/zinc/59/00/36/655590036.db2.gz KFJGPTFYSANKRI-HNNXBMFYSA-N 1 0 379.332 1.860 20 0 GDADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000851672488 655590228 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1.998 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000852053451 655606750 /nfs/dbraw/zinc/60/67/50/655606750.db2.gz XSEWTENKVRGJGX-ZFWWWQNUSA-N 1 0 398.462 1.365 20 0 GDADRO COC(=O)[C@@H]1CN(CCn2cnc(Br)n2)C[C@H]1c1ccc(O)cc1 ZINC000852095288 655607724 /nfs/dbraw/zinc/60/77/24/655607724.db2.gz VHXQMXZAGIDCPY-UONOGXRCSA-N 1 0 395.257 1.635 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)C1 ZINC000852224640 655610642 /nfs/dbraw/zinc/61/06/42/655610642.db2.gz ISQRPVWPNGQYMI-QWHCGFSZSA-N 1 0 386.543 1.336 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)c1ccc(C(F)(F)Br)nc1 ZINC000852789658 655622612 /nfs/dbraw/zinc/62/26/12/655622612.db2.gz KLPJYOISEWVVDG-UHFFFAOYSA-N 1 0 377.233 1.551 20 0 GDADRO O=C(c1cc(Br)ccc1-n1cnnn1)N1CCC2(C1)CC[NH2+]CC2 ZINC000852828615 655623719 /nfs/dbraw/zinc/62/37/19/655623719.db2.gz ZIQOANWMXDEPAI-UHFFFAOYSA-N 1 0 391.273 1.641 20 0 GDADRO C[NH2+]CCN(C)C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000852826940 655623729 /nfs/dbraw/zinc/62/37/29/655623729.db2.gz VERPNYOGTUIIDW-UHFFFAOYSA-N 1 0 381.274 1.198 20 0 GDADRO CCCS(=O)(=O)Nc1cc(NC(=O)C2=NO[C@@H](C[NH3+])C2)c(F)cc1F ZINC000852830012 655623875 /nfs/dbraw/zinc/62/38/75/655623875.db2.gz QPFOPKYDNKBIBY-MRVPVSSYSA-N 1 0 376.385 1.159 20 0 GDADRO O=C([C@@H]1CCC[NH2+]C1)N1CCC(n2nncc2I)CC1 ZINC000852860742 655624292 /nfs/dbraw/zinc/62/42/92/655624292.db2.gz IWXGSWSHRWNVGH-SNVBAGLBSA-N 1 0 389.241 1.046 20 0 GDADRO C[C@@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1(Br)Br ZINC000852878908 655624905 /nfs/dbraw/zinc/62/49/05/655624905.db2.gz AOYZBQMKJYWMSS-JQWIXIFHSA-N 1 0 395.139 1.389 20 0 GDADRO C[C@]12CCN(C(=O)COC3(C)C[NH2+]C3)C[C@H]1C2(Br)Br ZINC000852901273 655625978 /nfs/dbraw/zinc/62/59/78/655625978.db2.gz DXTQPKSDAAMMGP-SKDRFNHKSA-N 1 0 396.123 1.719 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000852920493 655628425 /nfs/dbraw/zinc/62/84/25/655628425.db2.gz UKSSLAOTFLHWBC-YPMHNXCESA-N 1 0 389.905 1.135 20 0 GDADRO CN(CC1C[NH+](C)C1)Cn1ncc(Br)c(Br)c1=O ZINC000853552780 655642521 /nfs/dbraw/zinc/64/25/21/655642521.db2.gz GAPZYVJHPHQRLT-UHFFFAOYSA-N 1 0 380.084 1.219 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C1 ZINC000853768048 655649520 /nfs/dbraw/zinc/64/95/20/655649520.db2.gz VFNVLZPUULSFFA-HNNXBMFYSA-N 1 0 398.301 1.383 20 0 GDADRO COc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)cnc1Br ZINC000854641904 655673137 /nfs/dbraw/zinc/67/31/37/655673137.db2.gz HICPAJNCBYPLTE-OLZOCXBDSA-N 1 0 384.274 1.788 20 0 GDADRO Cc1c(Cl)c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)sc1S(N)(=O)=O ZINC000855286624 655691161 /nfs/dbraw/zinc/69/11/61/655691161.db2.gz UFOHZCLTYHGQDR-VIFPVBQESA-N 1 0 379.935 1.960 20 0 GDADRO C[C@@H](CCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1)[NH+](C)C ZINC000855410608 655693518 /nfs/dbraw/zinc/69/35/18/655693518.db2.gz GNPBIYRCBGJSBU-ZETCQYMHSA-N 1 0 384.321 1.228 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000855578802 655697765 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C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cccc(NC(=O)C(F)(F)F)c3)C[C@@H]2C1 ZINC000859136668 655765470 /nfs/dbraw/zinc/76/54/70/655765470.db2.gz OKKCUBGKCOPCES-PHIMTYICSA-N 1 0 377.388 1.370 20 0 GDADRO Cn1nc(Cl)c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1Cl ZINC000860552979 655802964 /nfs/dbraw/zinc/80/29/64/655802964.db2.gz ZVZQRCQDKUHHCY-UHFFFAOYSA-N 1 0 377.272 1.026 20 0 GDADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2nccn3c(Br)cnc23)C1 ZINC000861348115 655819979 /nfs/dbraw/zinc/81/99/79/655819979.db2.gz BJERFGLDLLFYMA-ZUZCIYMTSA-N 1 0 383.246 1.758 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C[NH2+]1 ZINC000861524944 655824573 /nfs/dbraw/zinc/82/45/73/655824573.db2.gz JVEORIWKEQFQHQ-YUMQZZPRSA-N 1 0 375.654 1.693 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C[NH2+]1 ZINC000861524151 655824610 /nfs/dbraw/zinc/82/46/10/655824610.db2.gz SPXMQSIYLHUJDU-VHSXEESVSA-N 1 0 398.257 1.416 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000861540768 655825424 /nfs/dbraw/zinc/82/54/24/655825424.db2.gz XXXPXYZECBJRFJ-ZETCQYMHSA-N 1 0 395.628 1.689 20 0 GDADRO COc1cc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c(Cl)cc1Br ZINC000861544213 655825646 /nfs/dbraw/zinc/82/56/46/655825646.db2.gz LGWKLKNGPPKHSC-ZETCQYMHSA-N 1 0 378.654 1.855 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000861543577 655825752 /nfs/dbraw/zinc/82/57/52/655825752.db2.gz CXZJVMGGWMNZBC-LURJTMIESA-N 1 0 383.168 1.607 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N(C)C[C@H](C)[NH3+])C2=O)ccc1Br ZINC000861617781 655827108 /nfs/dbraw/zinc/82/71/08/655827108.db2.gz NDRSWYXSWLWCDA-FZMZJTMJSA-N 1 0 383.290 1.851 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000861734502 655829459 /nfs/dbraw/zinc/82/94/59/655829459.db2.gz HXNGOGLLFFHDBZ-GFCCVEGCSA-N 1 0 382.302 1.793 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCSC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000861762421 655830193 /nfs/dbraw/zinc/83/01/93/655830193.db2.gz JNPQERROHRNDGL-YUMQZZPRSA-N 1 0 381.342 1.341 20 0 GDADRO CCn1c(CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])nc2cc(Br)ccc21 ZINC000861772628 655830396 /nfs/dbraw/zinc/83/03/96/655830396.db2.gz YMUXQUDCVUCLKV-SNVBAGLBSA-N 1 0 396.289 1.241 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)nc1Br ZINC000862031374 655836931 /nfs/dbraw/zinc/83/69/31/655836931.db2.gz FORRMPVCRVULCM-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccc(Br)nc1 ZINC000862092670 655838303 /nfs/dbraw/zinc/83/83/03/655838303.db2.gz YSMYOFWJWSHDLO-ZDUSSCGKSA-N 1 0 381.274 1.916 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CCN1CCCS1(=O)=O ZINC000862277353 655843896 /nfs/dbraw/zinc/84/38/96/655843896.db2.gz WSVRDVGJAKZIHN-LBPRGKRZSA-N 1 0 383.461 1.256 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862384637 655845466 /nfs/dbraw/zinc/84/54/66/655845466.db2.gz FOMJITMGYBCVGU-NWDGAFQWSA-N 1 0 385.477 1.549 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000863503065 655874744 /nfs/dbraw/zinc/87/47/44/655874744.db2.gz VYGJDGOKTNRSGW-LBPRGKRZSA-N 1 0 380.495 1.122 20 0 GDADRO C[C@@](O)(C[NH2+]CCN1CC[C@@H](O)C1)c1ccc(Br)cc1Cl ZINC000863583181 655876727 /nfs/dbraw/zinc/87/67/27/655876727.db2.gz PAUZQEUWHYJNMB-IUODEOHRSA-N 1 0 377.710 1.966 20 0 GDADRO Cc1nn(C)c(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1Br ZINC000863643072 655878148 /nfs/dbraw/zinc/87/81/48/655878148.db2.gz FKFQOBUQOMMGPQ-OCCSQVGLSA-N 1 0 398.305 1.248 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2cccc(O)c2Br)CC1 ZINC000863643258 655878184 /nfs/dbraw/zinc/87/81/84/655878184.db2.gz IVFGVFHFFQYZLV-HIFRSBDPSA-N 1 0 396.285 1.912 20 0 GDADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C3)cs1 ZINC000863768097 655880565 /nfs/dbraw/zinc/88/05/65/655880565.db2.gz BEHIOAUPGJJDAS-JTQLQIEISA-N 1 0 378.523 1.870 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000863767211 655880605 /nfs/dbraw/zinc/88/06/05/655880605.db2.gz KUGZITFGFUXAAQ-UHFFFAOYSA-N 1 0 388.693 1.794 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000864062105 655888503 /nfs/dbraw/zinc/88/85/03/655888503.db2.gz MZIWJHSNBHZSII-UHFFFAOYSA-N 1 0 385.306 1.992 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000864076336 655889508 /nfs/dbraw/zinc/88/95/08/655889508.db2.gz PLJJDAFLIOOURN-UHFFFAOYSA-N 1 0 385.258 1.707 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000864602537 655903065 /nfs/dbraw/zinc/90/30/65/655903065.db2.gz REBJVIPMLYOIMP-UHFFFAOYSA-N 1 0 377.242 1.355 20 0 GDADRO O=C(Nc1cccc(Br)c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000864620693 655903413 /nfs/dbraw/zinc/90/34/13/655903413.db2.gz NLCQJSOHMRHNQH-MCIONIFRSA-N 1 0 395.257 1.848 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(I)nn2C)C1 ZINC000865048350 655910581 /nfs/dbraw/zinc/91/05/81/655910581.db2.gz RGVITPCDQBOYFO-SNVBAGLBSA-N 1 0 376.242 1.486 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)c2nccn2c1 ZINC000865061409 655911147 /nfs/dbraw/zinc/91/11/47/655911147.db2.gz ZBWJKKDAMIOMAI-STQMWFEESA-N 1 0 379.258 1.690 20 0 GDADRO C[NH+]1CCC(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)CC1 ZINC000865337766 655917310 /nfs/dbraw/zinc/91/73/10/655917310.db2.gz RAQMXLQTTDIAHK-UHFFFAOYSA-N 1 0 380.905 1.615 20 0 GDADRO CCCNC(=O)CN1CCC([NH2+]Cc2cc(Br)cnc2OC)CC1 ZINC000865412793 655919314 /nfs/dbraw/zinc/91/93/14/655919314.db2.gz RBCOMJLZXIXXLZ-UHFFFAOYSA-N 1 0 399.333 1.933 20 0 GDADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cc(Br)cnc1OC)CC2 ZINC000865491063 655920755 /nfs/dbraw/zinc/92/07/55/655920755.db2.gz LBFWXRWZNBVHPV-GFCCVEGCSA-N 1 0 382.262 1.695 20 0 GDADRO Cc1ccnc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1Br ZINC000865489714 655920757 /nfs/dbraw/zinc/92/07/57/655920757.db2.gz HNMFLYLWAZWJLN-RYUDHWBXSA-N 1 0 376.320 1.960 20 0 GDADRO Cn1ncc2cc(C[NH2+]CCNS(=O)(=O)c3ccc(Cl)s3)cnc21 ZINC000865508959 655920894 /nfs/dbraw/zinc/92/08/94/655920894.db2.gz UOJBCXUZIIGNKJ-UHFFFAOYSA-N 1 0 385.902 1.751 20 0 GDADRO O=S(=O)(Cc1ccon1)N1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865566591 655922047 /nfs/dbraw/zinc/92/20/47/655922047.db2.gz ZPGAKDAOSVGCSN-UHFFFAOYSA-N 1 0 376.360 1.740 20 0 GDADRO COc1cc(C[NH2+]C[C@@H](O)[C@H](C)O)cc(I)c1OC ZINC000865740102 655925519 /nfs/dbraw/zinc/92/55/19/655925519.db2.gz BKPDMLIBSIMZNW-GZMMTYOYSA-N 1 0 381.210 1.140 20 0 GDADRO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(Br)s1 ZINC000865795756 655926847 /nfs/dbraw/zinc/92/68/47/655926847.db2.gz MNPUEHQJBZNGSB-IINYFYTJSA-N 1 0 375.288 1.789 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000865792569 655926862 /nfs/dbraw/zinc/92/68/62/655926862.db2.gz UTLWKMBJBJAOFG-UHFFFAOYSA-N 1 0 380.290 1.464 20 0 GDADRO C[NH+]1CCN(C2CCN(c3ccc4c(c3)S(=O)(=O)N=C4Cl)CC2)CC1 ZINC000866213567 655936174 /nfs/dbraw/zinc/93/61/74/655936174.db2.gz SNCLYRBQKIXGJM-UHFFFAOYSA-N 1 0 382.917 1.591 20 0 GDADRO C[NH+](C)CCCN(C(=O)CC(F)(F)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000866417174 655941550 /nfs/dbraw/zinc/94/15/50/655941550.db2.gz KQUPHUUZCAXEBM-JTQLQIEISA-N 1 0 380.379 1.542 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 ZINC000866485425 655946401 /nfs/dbraw/zinc/94/64/01/655946401.db2.gz QGYHUZJXKHKPDF-XMMPIXPASA-N 1 0 388.559 1.005 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cn(C)nc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000866498564 655947478 /nfs/dbraw/zinc/94/74/78/655947478.db2.gz ZSLQEZTYROTQRF-GHMZBOCLSA-N 1 0 379.324 1.581 20 0 GDADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(I)nn2C)C1 ZINC000866514246 655948001 /nfs/dbraw/zinc/94/80/01/655948001.db2.gz WLNPOAIGOHKFLO-LLVKDONJSA-N 1 0 390.269 1.732 20 0 GDADRO O=C1COC[C@@]2(C[NH2+][C@H]3CCc4ccc(Br)cc43)COCCN12 ZINC000866553774 655949195 /nfs/dbraw/zinc/94/91/95/655949195.db2.gz NURMFWJHHGZSAM-DOTOQJQBSA-N 1 0 381.270 1.654 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cnn(C)c1Br)[NH+]1CCC(C)CC1 ZINC000866644117 655952269 /nfs/dbraw/zinc/95/22/69/655952269.db2.gz PUMREEXTCMXRMY-LLVKDONJSA-N 1 0 379.324 1.581 20 0 GDADRO CC1(C)CC[NH2+]CCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000866698757 655955153 /nfs/dbraw/zinc/95/51/53/655955153.db2.gz CZMZXBPENIUQQU-UHFFFAOYSA-N 1 0 375.441 1.695 20 0 GDADRO C[C@H](c1ncc(Br)cn1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711111 655955863 /nfs/dbraw/zinc/95/58/63/655955863.db2.gz CFMCCOYTPDWOEA-JHEVNIALSA-N 1 0 382.262 1.167 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000866740286 655957793 /nfs/dbraw/zinc/95/77/93/655957793.db2.gz PRIICHZXPXPKEI-MNOVXSKESA-N 1 0 379.404 1.935 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CCO1 ZINC000866755082 655959285 /nfs/dbraw/zinc/95/92/85/655959285.db2.gz GBFJIBVOVMLXRK-SECBINFHSA-N 1 0 375.244 1.544 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCOc3ccc(C[NH3+])cc32)c1C(F)(F)F ZINC000866781659 655963001 /nfs/dbraw/zinc/96/30/01/655963001.db2.gz SZCAYDCXDFPBDQ-UHFFFAOYSA-N 1 0 376.360 1.485 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000866782315 655963021 /nfs/dbraw/zinc/96/30/21/655963021.db2.gz WFZHJGHFRLNDGB-UHFFFAOYSA-N 1 0 393.303 1.385 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Br)cn2ccnc12 ZINC000866783468 655963147 /nfs/dbraw/zinc/96/31/47/655963147.db2.gz HOVSPBZRIZTCKH-CYBMUJFWSA-N 1 0 381.274 1.673 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)ccc1Cl ZINC000866783665 655963159 /nfs/dbraw/zinc/96/31/59/655963159.db2.gz QRESRKTZLDRJKH-LLVKDONJSA-N 1 0 380.919 1.636 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000866788878 655963740 /nfs/dbraw/zinc/96/37/40/655963740.db2.gz WRSNBBKHHDTEOD-NSHDSACASA-N 1 0 379.404 1.760 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866791535 655963976 /nfs/dbraw/zinc/96/39/76/655963976.db2.gz DOBVOPMPSAICTN-AOOOYVTPSA-N 1 0 384.401 1.105 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cc(Cl)cnc3Cl)CC2)C1 ZINC000866795487 655964598 /nfs/dbraw/zinc/96/45/98/655964598.db2.gz ZFGSOPYDTWKOLK-CYBMUJFWSA-N 1 0 393.340 1.789 20 0 GDADRO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000866798293 655964870 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O=C(Cc1ccc(Cl)cc1Cl)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004396 656260143 /nfs/dbraw/zinc/26/01/43/656260143.db2.gz LMUBSZCFJQDTBO-CFVMTHIKSA-N 1 0 384.263 1.929 20 0 GDADRO Cc1c(C(=O)NCc2ncc(Br)s2)nnn1C1CC[NH2+]CC1 ZINC000871012464 656260311 /nfs/dbraw/zinc/26/03/11/656260311.db2.gz VDWWQRZIZNEQIA-UHFFFAOYSA-N 1 0 385.291 1.660 20 0 GDADRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3c(Br)nnn3C)C2)cc1 ZINC000871188452 656263640 /nfs/dbraw/zinc/26/36/40/656263640.db2.gz PPWFJJJLUFNUNA-ZDUSSCGKSA-N 1 0 378.274 1.890 20 0 GDADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)NC[C@@H]3C[NH2+]CCCO3)cc2N1 ZINC000871806675 656280181 /nfs/dbraw/zinc/28/01/81/656280181.db2.gz FRFOSVOFCLOJRO-LBPRGKRZSA-N 1 0 387.889 1.272 20 0 GDADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2N1 ZINC000871807358 656280375 /nfs/dbraw/zinc/28/03/75/656280375.db2.gz MOTFFUDHRBCAJB-TZMCWYRMSA-N 1 0 383.901 1.987 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000871809492 656280664 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GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC23OCCO3)cc1Br ZINC000883177480 657276689 /nfs/dbraw/zinc/27/66/89/657276689.db2.gz BCTMMTYMRLCKNK-CYBMUJFWSA-N 1 0 391.287 1.482 20 0 GDADRO COC[C@H]([NH2+]Cc1c(I)cnn1C)[C@H]1CCCOC1 ZINC000883243820 657278794 /nfs/dbraw/zinc/27/87/94/657278794.db2.gz YIJFMCYRVIAJEQ-JQWIXIFHSA-N 1 0 379.242 1.556 20 0 GDADRO O=C1NC(=O)C2(CCC([NH2+][C@H](CO)c3ccc(Br)cc3)CC2)N1 ZINC000883274998 657279508 /nfs/dbraw/zinc/27/95/08/657279508.db2.gz CEUZTFFCUMMSMR-MFOWVQHXSA-N 1 0 382.258 1.593 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)CCO1 ZINC000933436833 657280460 /nfs/dbraw/zinc/28/04/60/657280460.db2.gz IEMKSMJBKCTORZ-CXAGYDPISA-N 1 0 385.302 1.580 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933441430 657281659 /nfs/dbraw/zinc/28/16/59/657281659.db2.gz PLNMNVFJUSSDCT-CQSZACIVSA-N 1 0 379.320 1.224 20 0 GDADRO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000883306966 657281698 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Cn1c(C(=O)NCC2(O)CC[NH+](C)CC2)cc2cc(Br)cnc21 ZINC000933837185 657322553 /nfs/dbraw/zinc/32/25/53/657322553.db2.gz CGVKSLBXIQFUBG-UHFFFAOYSA-N 1 0 381.274 1.522 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000884096774 657324340 /nfs/dbraw/zinc/32/43/40/657324340.db2.gz HKVQGOVJQJNVLV-LBPRGKRZSA-N 1 0 375.288 1.316 20 0 GDADRO [NH3+][C@@H](C(=O)NCC1N=NC(=S)N1C1CC1)c1ccc(Br)cc1 ZINC000884127370 657328094 /nfs/dbraw/zinc/32/80/94/657328094.db2.gz CAFJEVKZYUGQDS-GFCCVEGCSA-N 1 0 382.287 1.980 20 0 GDADRO CN1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)CC[N@H+](C)CC1 ZINC000933993556 657331421 /nfs/dbraw/zinc/33/14/21/657331421.db2.gz XOPBWWNYWQISPS-UHFFFAOYSA-N 1 0 379.555 1.989 20 0 GDADRO CN1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@H+](C)CC1 ZINC000933996915 657331967 /nfs/dbraw/zinc/33/19/67/657331967.db2.gz FKVQBLSDVDUEFV-CQSZACIVSA-N 1 0 376.328 1.912 20 0 GDADRO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000934041460 657333530 /nfs/dbraw/zinc/33/35/30/657333530.db2.gz HFXLJVDFOSJRAN-CHWSQXEVSA-N 1 0 390.221 1.623 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cs1)C(N)=O ZINC000884239548 657339949 /nfs/dbraw/zinc/33/99/49/657339949.db2.gz WISMBBMAZLPOFF-BXUZGUMPSA-N 1 0 382.555 1.642 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)COCCc1ccc(Br)cc1 ZINC000884286903 657342536 /nfs/dbraw/zinc/34/25/36/657342536.db2.gz NRIKADJNOMOXMW-OAHLLOKOSA-N 1 0 399.285 1.372 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)C(F)(F)F ZINC000884303176 657344453 /nfs/dbraw/zinc/34/44/53/657344453.db2.gz IOBWJMPNVRCOJO-WDEREUQCSA-N 1 0 395.175 1.927 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCC[C@H](Cn2ccnn2)C1)c1ccc(Br)cc1 ZINC000884329321 657347177 /nfs/dbraw/zinc/34/71/77/657347177.db2.gz KVBYZKYPWFRSPI-SWLSCSKDSA-N 1 0 378.274 1.979 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)O1 ZINC000884331817 657347521 /nfs/dbraw/zinc/34/75/21/657347521.db2.gz XOBYTUXGWIXXIB-RDBSUJKOSA-N 1 0 384.274 1.201 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1)C(N)=O ZINC000884336095 657348245 /nfs/dbraw/zinc/34/82/45/657348245.db2.gz JCBQOOHLRTYELK-OUCADQQQSA-N 1 0 382.555 1.642 20 0 GDADRO Cc1c(Br)cncc1NC(=O)NCC[N@@H+](C)CCOCCO ZINC000934277202 657350208 /nfs/dbraw/zinc/35/02/08/657350208.db2.gz LUBAHFBUNMMTHO-UHFFFAOYSA-N 1 0 375.267 1.215 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)nn1C ZINC000884394135 657352803 /nfs/dbraw/zinc/35/28/03/657352803.db2.gz VMXAEUGLNBCZIV-ZDUSSCGKSA-N 1 0 393.241 1.670 20 0 GDADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934337351 657354416 /nfs/dbraw/zinc/35/44/16/657354416.db2.gz WBCZLTSZBDOWRS-BVTUPMQUSA-N 1 0 381.523 1.987 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cs1)C(N)=O ZINC000884462791 657359162 /nfs/dbraw/zinc/35/91/62/657359162.db2.gz OOOVODIAJCZPQH-YPMHNXCESA-N 1 0 384.571 1.936 20 0 GDADRO Cc1cnc([C@H](C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)s1 ZINC000884494069 657360917 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GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC000934666274 657371164 /nfs/dbraw/zinc/37/11/64/657371164.db2.gz PYVTWGVPRZEEAL-RHSMWYFYSA-N 1 0 375.535 1.647 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000934741099 657372923 /nfs/dbraw/zinc/37/29/23/657372923.db2.gz MMCWWKYYKMDHIO-KRWDZBQOSA-N 1 0 375.535 1.791 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)NCC[C@H]1CC[NH2+]C1)C2 ZINC000884691440 657373128 /nfs/dbraw/zinc/37/31/28/657373128.db2.gz ICHHYZOXVFKITD-CYBMUJFWSA-N 1 0 394.313 1.758 20 0 GDADRO C[C@]1(CNC(=O)C(=O)NCCc2sccc2Br)CCC[NH2+]C1 ZINC000884712158 657374368 /nfs/dbraw/zinc/37/43/68/657374368.db2.gz JYUJBIFAKIXANF-HNNXBMFYSA-N 1 0 388.331 1.675 20 0 GDADRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCc2ncc(Br)s2)cc1 ZINC000884713908 657374527 /nfs/dbraw/zinc/37/45/27/657374527.db2.gz DPZDWPDLVKPWNY-SECBINFHSA-N 1 0 397.298 1.858 20 0 GDADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)C(=O)NCC1=CC[NH2+]CC1 ZINC000884721928 657375664 /nfs/dbraw/zinc/37/56/64/657375664.db2.gz ZXIJVNWJMFZHDZ-UHFFFAOYSA-N 1 0 376.766 1.406 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C1 ZINC000884724373 657375926 /nfs/dbraw/zinc/37/59/26/657375926.db2.gz QPJZJJKYVLZBSZ-ZJUUUORDSA-N 1 0 375.803 1.801 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000884726443 657376214 /nfs/dbraw/zinc/37/62/14/657376214.db2.gz SKVASXQMILWWPD-RRFJBIMHSA-N 1 0 394.313 1.878 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884774267 657379052 /nfs/dbraw/zinc/37/90/52/657379052.db2.gz JBOKBBPDKGRWBT-GJZGRUSLSA-N 1 0 380.286 1.727 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000884799598 657379770 /nfs/dbraw/zinc/37/97/70/657379770.db2.gz BOQROHNTSJQOGU-JOYOIKCWSA-N 1 0 390.228 1.605 20 0 GDADRO CN(CCN(C)S(=O)(=O)C[C@@H]1CCCC(C)(C)O1)C1CC[NH+](C)CC1 ZINC000884966916 657391232 /nfs/dbraw/zinc/39/12/32/657391232.db2.gz XHKJLHFSMDGILD-KRWDZBQOSA-N 1 0 375.579 1.622 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000935154425 657407523 /nfs/dbraw/zinc/40/75/23/657407523.db2.gz GGYSFZPGWHUIOG-DGCLKSJQSA-N 1 0 384.322 1.579 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2ccc(C)c(Br)c2)CC[C@H]1[NH3+] ZINC000885096085 657418038 /nfs/dbraw/zinc/41/80/38/657418038.db2.gz GEUKHFRGBRKMLM-DZGCQCFKSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCc2sccc2Br)C[C@@H]1C[NH3+] ZINC000885209771 657428742 /nfs/dbraw/zinc/42/87/42/657428742.db2.gz AHEBGASWJTYPCM-QWRGUYRKSA-N 1 0 388.331 1.613 20 0 GDADRO O=C(NCCc1sccc1Br)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000885210530 657429177 /nfs/dbraw/zinc/42/91/77/657429177.db2.gz WCCFYVXCSYJDOB-PHIMTYICSA-N 1 0 386.315 1.522 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2nc(Br)c3ccccn32)C1 ZINC000935679436 657466459 /nfs/dbraw/zinc/46/64/59/657466459.db2.gz JEECBOXAIRSXHA-INIZCTEOSA-N 1 0 381.274 1.626 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000935767446 657481405 /nfs/dbraw/zinc/48/14/05/657481405.db2.gz JLKRDWKASIJBNZ-UHFFFAOYSA-N 1 0 393.241 1.916 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000885653368 657508791 /nfs/dbraw/zinc/50/87/91/657508791.db2.gz LXUDQCWAWLXSIA-OBWXTZQISA-N 1 0 385.555 1.803 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)c1scnc1Cl ZINC000996597681 657628843 /nfs/dbraw/zinc/62/88/43/657628843.db2.gz YTTXPGZVKSGMGI-WOPDTQHZSA-N 1 0 380.901 1.754 20 0 GDADRO Cn1ccn2c(CC[NH2+]Cc3cc(Br)cnc3Cl)nnc2c1=O ZINC000886282590 657634702 /nfs/dbraw/zinc/63/47/02/657634702.db2.gz OMLCEIJREZLEJA-UHFFFAOYSA-N 1 0 397.664 1.571 20 0 GDADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(Cl)cs1)C2)C1CC1 ZINC000999572136 657662219 /nfs/dbraw/zinc/66/22/19/657662219.db2.gz JCLWGMPSKXKGRH-OWTLIXCDSA-N 1 0 382.917 1.998 20 0 GDADRO C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000886734550 657684989 /nfs/dbraw/zinc/68/49/89/657684989.db2.gz JJJQWJTWOIXWDX-LLVKDONJSA-N 1 0 396.481 1.758 20 0 GDADRO C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000886732894 657685078 /nfs/dbraw/zinc/68/50/78/657685078.db2.gz UONYTIFJZCSZDN-ZDUSSCGKSA-N 1 0 389.543 1.012 20 0 GDADRO OCCOCC1(O)CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000886753186 657691972 /nfs/dbraw/zinc/69/19/72/657691972.db2.gz DLSCVMRAKIYMTK-OAHLLOKOSA-N 1 0 394.295 1.569 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886898013 657724147 /nfs/dbraw/zinc/72/41/47/657724147.db2.gz PBCHFDWWHBZYCM-LBPRGKRZSA-N 1 0 396.481 1.393 20 0 GDADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(OCC(F)(F)F)nc1 ZINC000886898104 657724685 /nfs/dbraw/zinc/72/46/85/657724685.db2.gz RMHAEOIICGBDHZ-SECBINFHSA-N 1 0 389.346 1.546 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)cnc2c1Cl ZINC000886899313 657725342 /nfs/dbraw/zinc/72/53/42/657725342.db2.gz HAPLGXATXNJPGC-MRXNPFEDSA-N 1 0 383.905 1.845 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000886899298 657725542 /nfs/dbraw/zinc/72/55/42/657725542.db2.gz GUCJBILIJIOJGO-INIZCTEOSA-N 1 0 388.511 1.698 20 0 GDADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886934172 657727807 /nfs/dbraw/zinc/72/78/07/657727807.db2.gz OGOMLXSMDQCSGN-LLVKDONJSA-N 1 0 376.429 1.269 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886983598 657730437 /nfs/dbraw/zinc/73/04/37/657730437.db2.gz CYSHNIXEQOGYRB-CYBMUJFWSA-N 1 0 392.253 1.645 20 0 GDADRO Nc1snnc1-c1nc(-c2cn(CCC[NH+]3CCSCC3)nn2)cs1 ZINC000887522208 657788950 /nfs/dbraw/zinc/78/89/50/657788950.db2.gz AWUDEMCANGKDBT-UHFFFAOYSA-N 1 0 394.555 1.941 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1nnn(C)n1)c1cccc(Br)c1 ZINC000888361939 657892611 /nfs/dbraw/zinc/89/26/11/657892611.db2.gz NEDLHTWCOIEHRB-UHFFFAOYSA-N 1 0 381.278 1.961 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)N[C@@](C)(CO)c1cccc(Br)c1 ZINC000890629625 658130716 /nfs/dbraw/zinc/13/07/16/658130716.db2.gz DRSCLLDCHDKFBU-KRWDZBQOSA-N 1 0 395.301 1.845 20 0 GDADRO C[C@@](CO)(NC(=O)C1C[NH+](C2CCOCC2)C1)c1cccc(Br)c1 ZINC000890630900 658132950 /nfs/dbraw/zinc/13/29/50/658132950.db2.gz WOLQCHWBYWWAGG-SFHVURJKSA-N 1 0 397.313 1.884 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000891143803 658195380 /nfs/dbraw/zinc/19/53/80/658195380.db2.gz LDIUBZVSDSZCFR-RUZDIDTESA-N 1 0 392.635 1.874 20 0 GDADRO O=C(NCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000891401604 658235414 /nfs/dbraw/zinc/23/54/14/658235414.db2.gz QBPQIVNQXDVAAQ-OKILXGFUSA-N 1 0 381.274 1.325 20 0 GDADRO CC(C)([NH3+])CCNC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000891485160 658244755 /nfs/dbraw/zinc/24/47/55/658244755.db2.gz KSWPAHBRICRTMA-UHFFFAOYSA-N 1 0 385.306 1.996 20 0 GDADRO CCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000891707817 658267305 /nfs/dbraw/zinc/26/73/05/658267305.db2.gz LMGGNSRINWJPPD-JTQLQIEISA-N 1 0 380.923 1.073 20 0 GDADRO CCOC(=O)c1csc(CCNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000891839539 658276751 /nfs/dbraw/zinc/27/67/51/658276751.db2.gz ONRFJMVLCZFWOO-SNVBAGLBSA-N 1 0 376.429 1.406 20 0 GDADRO COC[C@@H](NC(=O)NCCN1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000891972982 658287507 /nfs/dbraw/zinc/28/75/07/658287507.db2.gz NJYWZCQSESHTQB-OAHLLOKOSA-N 1 0 385.306 1.341 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000892198798 658303895 /nfs/dbraw/zinc/30/38/95/658303895.db2.gz GIOKLQFKLLDIDE-OLZOCXBDSA-N 1 0 397.317 1.929 20 0 GDADRO C[C@H](O)C[NH+]1CCN(c2ncnc3c2c(Br)nn3C(C)(C)C)CC1 ZINC000892314467 658317499 /nfs/dbraw/zinc/31/74/99/658317499.db2.gz XBRLMEDPPBMIPE-NSHDSACASA-N 1 0 397.321 1.847 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000892330932 658318712 /nfs/dbraw/zinc/31/87/12/658318712.db2.gz NOYDYLSWAFVYFF-NWDGAFQWSA-N 1 0 382.262 1.101 20 0 GDADRO C[C@@H]1[C@H](C)N(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)[C@@H](C)C[N@@H+]1C ZINC000892354155 658320067 /nfs/dbraw/zinc/32/00/67/658320067.db2.gz QZGJLVROUPKRFQ-CRWXNKLISA-N 1 0 385.555 1.527 20 0 GDADRO CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+]C[C@H]2C[C@@]2(C)Br)CC1 ZINC000892653772 658339242 /nfs/dbraw/zinc/33/92/42/658339242.db2.gz MUCCZSWQXJRLHO-MLGOLLRUSA-N 1 0 390.322 1.829 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892677554 658340674 /nfs/dbraw/zinc/34/06/74/658340674.db2.gz HDFCLZHMKATHHN-OUCADQQQSA-N 1 0 381.416 1.858 20 0 GDADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000892697828 658343907 /nfs/dbraw/zinc/34/39/07/658343907.db2.gz VGVOLDOVVJFERB-RYUDHWBXSA-N 1 0 380.919 1.031 20 0 GDADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)C[C@H]1C(F)(F)F ZINC000892761274 658348362 /nfs/dbraw/zinc/34/83/62/658348362.db2.gz SEGHFFMYKPSQOW-JHJVBQTASA-N 1 0 388.452 1.816 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)C12CCOCC2 ZINC000892930578 658361016 /nfs/dbraw/zinc/36/10/16/658361016.db2.gz SBYWAGCUIFKAIN-ZIAGYGMSSA-N 1 0 376.519 1.473 20 0 GDADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000892928961 658361068 /nfs/dbraw/zinc/36/10/68/658361068.db2.gz DNBLOVSNARWHGG-YOEHRIQHSA-N 1 0 388.555 1.427 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892948139 658362128 /nfs/dbraw/zinc/36/21/28/658362128.db2.gz VQRCKHIYYXCSMF-MGPQQGTHSA-N 1 0 376.519 1.472 20 0 GDADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CN(S(C)(=O)=O)C2)C[C@@H]1C(F)(F)F ZINC000893717164 658438319 /nfs/dbraw/zinc/43/83/19/658438319.db2.gz ODFLNYFTFMHIIQ-XQQFMLRXSA-N 1 0 386.436 1.378 20 0 GDADRO O=C(NCc1ncc(Br)cn1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000893744688 658441080 /nfs/dbraw/zinc/44/10/80/658441080.db2.gz XHHHNBBZXDKSGJ-KBPBESRZSA-N 1 0 398.305 1.416 20 0 GDADRO Cn1nc(Br)nc1CNCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000894139038 658511261 /nfs/dbraw/zinc/51/12/61/658511261.db2.gz QZFCORAFFXNCKV-UHFFFAOYSA-N 1 0 394.317 1.824 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNCc2cn(C)nc2I)C1 ZINC000894139105 658511302 /nfs/dbraw/zinc/51/13/02/658511302.db2.gz BEXSQZFDEHMIRQ-CYBMUJFWSA-N 1 0 392.285 1.471 20 0 GDADRO Cn1nc(Br)nc1CNCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000894183106 658518133 /nfs/dbraw/zinc/51/81/33/658518133.db2.gz JQCUHZRSKXFQEW-UHFFFAOYSA-N 1 0 380.294 1.014 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c(I)n1 ZINC000894188242 658518689 /nfs/dbraw/zinc/51/86/89/658518689.db2.gz SXQFAQXFNVAULV-LBPRGKRZSA-N 1 0 398.252 1.573 20 0 GDADRO C[C@@H]([NH2+]Cc1c(I)cnn1C)[C@H](C)N1CCOCC1 ZINC000894245394 658527003 /nfs/dbraw/zinc/52/70/03/658527003.db2.gz BGMZQGBOTBMLKV-MNOVXSKESA-N 1 0 378.258 1.224 20 0 GDADRO CC(C)(C)OC(=O)NCC1CC([NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)C1 ZINC000894261126 658530067 /nfs/dbraw/zinc/53/00/67/658530067.db2.gz FHRGXCIKKLICJV-JYVUQVBGSA-N 1 0 375.535 1.597 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1 ZINC000894263726 658530276 /nfs/dbraw/zinc/53/02/76/658530276.db2.gz SQLLQAMTDIYSFF-LYSZQXJVSA-N 1 0 386.539 1.299 20 0 GDADRO CCOC(=O)c1ncc(Br)c(N2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000894361224 658545201 /nfs/dbraw/zinc/54/52/01/658545201.db2.gz GUIHVLMWJZTLLK-UHFFFAOYSA-N 1 0 399.289 1.717 20 0 GDADRO CCOC(=O)C1(C[NH2+]Cc2c(I)cnn2C)CCC1 ZINC000894445926 658558887 /nfs/dbraw/zinc/55/88/87/658558887.db2.gz QVPYHQHCXOPNQT-UHFFFAOYSA-N 1 0 377.226 1.848 20 0 GDADRO CCOC(=O)c1ncc(Br)c(N2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000894465402 658564475 /nfs/dbraw/zinc/56/44/75/658564475.db2.gz QXKYOYZSDMPLDW-OAHLLOKOSA-N 1 0 387.278 1.309 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@H](CCO)C1CCOCC1 ZINC000894468806 658565444 /nfs/dbraw/zinc/56/54/44/658565444.db2.gz DLSCYQRBRQFYOS-GFCCVEGCSA-N 1 0 379.242 1.292 20 0 GDADRO Cn1ncc(I)c1C[NH2+]CCCCCS(C)(=O)=O ZINC000894490078 658568551 /nfs/dbraw/zinc/56/85/51/658568551.db2.gz AMXWYSPJLQFVJR-UHFFFAOYSA-N 1 0 385.271 1.329 20 0 GDADRO COC(=O)N1CCC(C[NH2+]Cc2c(I)cnn2C)CC1 ZINC000894752547 658606509 /nfs/dbraw/zinc/60/65/09/658606509.db2.gz KNVXVZNSDCUHDQ-UHFFFAOYSA-N 1 0 392.241 1.593 20 0 GDADRO Cn1cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c(I)n1 ZINC000894868676 658628267 /nfs/dbraw/zinc/62/82/67/658628267.db2.gz GKYZZRHAEVZFDB-ZDUSSCGKSA-N 1 0 389.212 1.857 20 0 GDADRO Cn1cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c(I)n1 ZINC000895086070 658659319 /nfs/dbraw/zinc/65/93/19/658659319.db2.gz RDPHELKMQAFXQP-ZDUSSCGKSA-N 1 0 379.242 1.292 20 0 GDADRO CC(=O)Nc1cc(Br)ccc1CN1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000895113499 658667175 /nfs/dbraw/zinc/66/71/75/658667175.db2.gz GYIFWGBEMFGCJX-GFCCVEGCSA-N 1 0 397.317 1.959 20 0 GDADRO Cn1cc(CN2CCO[C@H](CCC[NH+](C)C)C2)c(I)n1 ZINC000895352364 658689826 /nfs/dbraw/zinc/68/98/26/658689826.db2.gz NOALLLPZWVWYKB-CYBMUJFWSA-N 1 0 392.285 1.567 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(CNCc2cnc(Br)cn2)CC1 ZINC000895407870 658695001 /nfs/dbraw/zinc/69/50/01/658695001.db2.gz ZAUUQUYDJGYGIS-UHFFFAOYSA-N 1 0 377.308 1.579 20 0 GDADRO CCN(CC)c1ncc(C[NH2+]C[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)s1 ZINC000895508784 658705975 /nfs/dbraw/zinc/70/59/75/658705975.db2.gz 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1.803 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000896258049 658761636 /nfs/dbraw/zinc/76/16/36/658761636.db2.gz KDUDMGMWMVTMRS-ZFWWWQNUSA-N 1 0 397.269 1.368 20 0 GDADRO Cn1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c(Br)n1 ZINC000896302435 658766315 /nfs/dbraw/zinc/76/63/15/658766315.db2.gz ZYWPDVGNZGDNGK-UHFFFAOYSA-N 1 0 385.306 1.948 20 0 GDADRO Cn1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c(Br)n1 ZINC000896373074 658773276 /nfs/dbraw/zinc/77/32/76/658773276.db2.gz ODGOWOMFVQKITR-UHFFFAOYSA-N 1 0 378.274 1.972 20 0 GDADRO C[C@@H](NC(=O)c1cc(Br)cc2c1OCCO2)[C@H]1C[N@H+](C)CCN1C ZINC000896530763 658784931 /nfs/dbraw/zinc/78/49/31/658784931.db2.gz BHQKWOZOYMINIO-BXUZGUMPSA-N 1 0 398.301 1.584 20 0 GDADRO C[C@H](NC(=O)c1cnn(C(C)(C)C)c1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896534669 658785997 /nfs/dbraw/zinc/78/59/97/658785997.db2.gz VTUXWOJDWWZNNH-AAEUAGOBSA-N 1 0 386.338 1.765 20 0 GDADRO C[C@H](NC(=O)c1cc2c(c(Br)c1)OCO2)[C@H]1C[N@H+](C)CCN1C ZINC000896570158 658790881 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CCOC(=O)C1([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)CCOCC1 ZINC000897740838 658885532 /nfs/dbraw/zinc/88/55/32/658885532.db2.gz IAAHZUJEIADZAW-FHERZECASA-N 1 0 375.531 1.928 20 0 GDADRO COC(=O)c1ccc(CN2CCN(C)CC[N@H+](C)CC2)cc1Br ZINC000897860522 658896155 /nfs/dbraw/zinc/89/61/55/658896155.db2.gz VDXZVPHAPQNBLI-UHFFFAOYSA-N 1 0 384.318 1.915 20 0 GDADRO COC(=O)c1cc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c[nH]1 ZINC000897976972 658906693 /nfs/dbraw/zinc/90/66/93/658906693.db2.gz DVQSBKJXGMARKK-NSHDSACASA-N 1 0 379.214 1.612 20 0 GDADRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(S(C)(=O)=O)s1)CCO2 ZINC000897999817 658909736 /nfs/dbraw/zinc/90/97/36/658909736.db2.gz UAZVPZSJCOLNTC-HZPDHXFCSA-N 1 0 375.512 1.944 20 0 GDADRO Cn1cc(I)c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)n1 ZINC000898101423 658915980 /nfs/dbraw/zinc/91/59/80/658915980.db2.gz HSNKBOPNBNFCOX-ZJUUUORDSA-N 1 0 376.242 1.483 20 0 GDADRO COc1cc(Br)c(C[NH2+]CCCn2ccc(=O)[nH]c2=O)cc1O ZINC000898333310 658927150 /nfs/dbraw/zinc/92/71/50/658927150.db2.gz SBLRGLICJUTKTE-UHFFFAOYSA-N 1 0 384.230 1.606 20 0 GDADRO O=c1ccn(CCC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c(=O)[nH]1 ZINC000898331724 658927251 /nfs/dbraw/zinc/92/72/51/658927251.db2.gz DBNKFJBXZGTPFG-UHFFFAOYSA-N 1 0 396.241 1.663 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)[C@@H]1SC ZINC000898487082 658937518 /nfs/dbraw/zinc/93/75/18/658937518.db2.gz ILYUEPWEHWSILI-KSOAXJBMSA-N 1 0 391.555 1.384 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C1CCS(=O)(=O)CC1 ZINC000898719113 658951459 /nfs/dbraw/zinc/95/14/59/658951459.db2.gz BKVAAQIEOMPVRY-ZYHUDNBSSA-N 1 0 376.320 1.763 20 0 GDADRO Cn1cc(I)c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)n1 ZINC000898826081 658960506 /nfs/dbraw/zinc/96/05/06/658960506.db2.gz MNKHULRJYDJQDB-MNOVXSKESA-N 1 0 388.253 1.627 20 0 GDADRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2nc3ncc(Br)cn3n2)C12CCC2 ZINC000898842704 658961458 /nfs/dbraw/zinc/96/14/58/658961458.db2.gz XDGBKBSIMNCVCX-QWRGUYRKSA-N 1 0 379.262 1.489 20 0 GDADRO C[C@@H]1CN(C(=O)c2c[nH]nc2I)CCN1c1cc[nH+]cc1 ZINC000899204755 658994820 /nfs/dbraw/zinc/99/48/20/658994820.db2.gz GHDZRRKTSTZHDQ-SNVBAGLBSA-N 1 0 397.220 1.760 20 0 GDADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899235211 658998009 /nfs/dbraw/zinc/99/80/09/658998009.db2.gz ACQULDJSRWTAHL-LLVKDONJSA-N 1 0 396.241 1.439 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCc1ccccc1S(=O)(=O)CC ZINC000899556560 659029389 /nfs/dbraw/zinc/02/93/89/659029389.db2.gz FTTLQNXADZRHQT-MRXNPFEDSA-N 1 0 383.583 1.971 20 0 GDADRO C[NH+]1CCC(NC(=S)NCC2(OCCO)CCC(C(F)F)CC2)CC1 ZINC000899632556 659037387 /nfs/dbraw/zinc/03/73/87/659037387.db2.gz DGLGHZXWXIACHT-UHFFFAOYSA-N 1 0 379.517 1.748 20 0 GDADRO Brc1ccc2c(c1)[C@@H](n1cc(CCN3CC[NH2+]CC3)nn1)CCO2 ZINC000899738812 659057378 /nfs/dbraw/zinc/05/73/78/659057378.db2.gz LFWIIVBBGANHDT-INIZCTEOSA-N 1 0 392.301 1.860 20 0 GDADRO [NH3+][C@@H]1CCCN(Cc2cn(-c3ccccc3I)nn2)C1 ZINC000899745842 659058273 /nfs/dbraw/zinc/05/82/73/659058273.db2.gz 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C[C@@H](NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[C@@H]1C[N@H+](C)CCN1C ZINC000900812127 659149233 /nfs/dbraw/zinc/14/92/33/659149233.db2.gz RXDOOTJPEMWSGQ-RNCFNFMXSA-N 1 0 396.289 1.395 20 0 GDADRO C[C@H](NC(=O)COc1ccc(C=O)cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000900811698 659149306 /nfs/dbraw/zinc/14/93/06/659149306.db2.gz NETAQPFJEOBSLJ-SWLSCSKDSA-N 1 0 398.301 1.391 20 0 GDADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CN3CSCCSC3)nc2)C1 ZINC000901160529 659198676 /nfs/dbraw/zinc/19/86/76/659198676.db2.gz XQOBAAXJGLSWKI-HNNXBMFYSA-N 1 0 381.571 1.857 20 0 GDADRO CN(C)S(=O)(=O)c1cc(NC(=O)COC2CC[NH+](C)CC2)ccc1Cl ZINC000901173073 659199280 /nfs/dbraw/zinc/19/92/80/659199280.db2.gz PEORAEAHRZWBFD-UHFFFAOYSA-N 1 0 389.905 1.640 20 0 GDADRO CS[C@@H]1CN(C(=O)Cc2sc(-c3ccn(C)n3)nc2C)C[C@@H]1[NH+](C)C ZINC000901228954 659204032 /nfs/dbraw/zinc/20/40/32/659204032.db2.gz IEXWSFRJELTPPB-DZGCQCFKSA-N 1 0 379.555 1.899 20 0 GDADRO CS[C@H]1CN(C(=O)Cc2sc(-c3ccn(C)n3)nc2C)C[C@H]1[NH+](C)C ZINC000901228955 659204221 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O=C(c1nc2ccc(Br)cn2n1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000903035805 659291638 /nfs/dbraw/zinc/29/16/38/659291638.db2.gz QITWIJNWINYMJZ-QWHCGFSZSA-N 1 0 394.273 1.163 20 0 GDADRO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCC([NH+]2CCC2)CC1 ZINC000903203463 659301306 /nfs/dbraw/zinc/30/13/06/659301306.db2.gz AAYRWMPBAIZSRX-UHFFFAOYSA-N 1 0 379.404 1.882 20 0 GDADRO COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000903235196 659310056 /nfs/dbraw/zinc/31/00/56/659310056.db2.gz TXZKDASDINMTPY-SRVKXCTJSA-N 1 0 375.516 1.688 20 0 GDADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@]1(CO)COCCN1C ZINC000903281569 659311755 /nfs/dbraw/zinc/31/17/55/659311755.db2.gz YLVXIGXXIGIVAD-IAQYHMDHSA-N 1 0 381.826 1.968 20 0 GDADRO O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903427235 659315303 /nfs/dbraw/zinc/31/53/03/659315303.db2.gz UWPLVYWRSBPUAB-CQSZACIVSA-N 1 0 388.331 1.507 20 0 GDADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 ZINC000903510606 659321365 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COc1ccc(Br)c(S(=O)(=O)NCC2([NH3+])CCOCC2)c1F ZINC000903525747 659329928 /nfs/dbraw/zinc/32/99/28/659329928.db2.gz YZGRDIDPORLUMO-UHFFFAOYSA-N 1 0 397.266 1.383 20 0 GDADRO CS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903534003 659332107 /nfs/dbraw/zinc/33/21/07/659332107.db2.gz JNGKGSGLVPDKFP-OLZOCXBDSA-N 1 0 379.404 1.240 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCCN2S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000903537543 659332955 /nfs/dbraw/zinc/33/29/55/659332955.db2.gz WIQXANMITCSSNT-BXUZGUMPSA-N 1 0 379.404 1.915 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000903538206 659333283 /nfs/dbraw/zinc/33/32/83/659333283.db2.gz RLZCDRFFKIJWJF-UHFFFAOYSA-N 1 0 382.404 1.855 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2onc(Cl)c2c1 ZINC000903544133 659335294 /nfs/dbraw/zinc/33/52/94/659335294.db2.gz IQRMHRCLVOWHJI-LLVKDONJSA-N 1 0 385.873 1.918 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cncc(Br)c1 ZINC000903545308 659335908 /nfs/dbraw/zinc/33/59/08/659335908.db2.gz KUFRAOXTCQTUSY-LBPRGKRZSA-N 1 0 390.303 1.281 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903548566 659337280 /nfs/dbraw/zinc/33/72/80/659337280.db2.gz FBKSSPZSVIYHFL-GHMZBOCLSA-N 1 0 377.304 1.982 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)c1 ZINC000903557552 659340416 /nfs/dbraw/zinc/34/04/16/659340416.db2.gz DWYABXBLUXVDSX-UHFFFAOYSA-N 1 0 385.917 1.852 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@H]1CC[NH3+] ZINC000903556118 659340461 /nfs/dbraw/zinc/34/04/61/659340461.db2.gz NLUXLPDYYGLPCB-RKDXNWHRSA-N 1 0 386.948 1.410 20 0 GDADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000903566364 659343522 /nfs/dbraw/zinc/34/35/22/659343522.db2.gz RASYJOUQEYWTSG-UHFFFAOYSA-N 1 0 390.347 1.767 20 0 GDADRO O=S(=O)(NC[C@@H]1CCCCC[NH2+]1)c1ccccc1S(=O)(=O)C(F)F ZINC000903566571 659343838 /nfs/dbraw/zinc/34/38/38/659343838.db2.gz DHFKWUTYSFPIPF-NSHDSACASA-N 1 0 382.454 1.493 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000903570169 659344236 /nfs/dbraw/zinc/34/42/36/659344236.db2.gz ZTWPGEJKHDSXEM-CZMCAQCFSA-N 1 0 377.260 1.251 20 0 GDADRO Cn1cnc(S(=O)(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1Cl ZINC000903574491 659345873 /nfs/dbraw/zinc/34/58/73/659345873.db2.gz SDNMFJYXTZCGDR-WBMJQRKESA-N 1 0 382.873 1.608 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000903575707 659346920 /nfs/dbraw/zinc/34/69/20/659346920.db2.gz STZMUDSPVKWDRS-LBPRGKRZSA-N 1 0 375.516 1.409 20 0 GDADRO COC(=O)c1cccc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903578011 659348979 /nfs/dbraw/zinc/34/89/79/659348979.db2.gz APVOSXSCPFCBIH-OLZOCXBDSA-N 1 0 380.388 1.515 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)CCc2ccc3c(c2)CCO3)CC[C@H]1C(F)(F)F ZINC000903578850 659349769 /nfs/dbraw/zinc/34/97/69/659349769.db2.gz KNMDZEVNNKVJTB-ZIAGYGMSSA-N 1 0 378.416 1.705 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000903579920 659350578 /nfs/dbraw/zinc/35/05/78/659350578.db2.gz REMKEZIOFFUTFH-BDAKNGLRSA-N 1 0 380.314 1.346 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000903584277 659353266 /nfs/dbraw/zinc/35/32/66/659353266.db2.gz KVFAQCNAAKJODP-ZDUSSCGKSA-N 1 0 393.303 1.824 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000903588267 659355395 /nfs/dbraw/zinc/35/53/95/659355395.db2.gz FZNDHQYWDLRJRB-YGRLFVJLSA-N 1 0 377.388 1.689 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000903590520 659356260 /nfs/dbraw/zinc/35/62/60/659356260.db2.gz YVTBNQAWIWHZEX-UHFFFAOYSA-N 1 0 388.433 1.599 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903737173 659378333 /nfs/dbraw/zinc/37/83/33/659378333.db2.gz PRUXFFOYARWQLH-CQSZACIVSA-N 1 0 397.317 1.873 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(c3ccsc3)CC2)C[C@H]1C(F)(F)F ZINC000903754839 659379130 /nfs/dbraw/zinc/37/91/30/659379130.db2.gz RZKBXSMJFDAJKT-CHWSQXEVSA-N 1 0 375.416 1.802 20 0 GDADRO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCC[C@H]1c1cncc(Br)c1 ZINC000903800358 659381444 /nfs/dbraw/zinc/38/14/44/659381444.db2.gz INXIQEYYGDAXPA-IHRRRGAJSA-N 1 0 379.258 1.080 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@]1(F)CCS(=O)(=O)C1 ZINC000903825311 659382489 /nfs/dbraw/zinc/38/24/89/659382489.db2.gz YUBAYORXFGXNTB-ZDUSSCGKSA-N 1 0 376.416 1.636 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000903836077 659383213 /nfs/dbraw/zinc/38/32/13/659383213.db2.gz CMMGSDHYUKIRHE-CYBMUJFWSA-N 1 0 390.347 1.779 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2CC(=O)NCC(=O)Nc1ccccc1Br ZINC000903855871 659384728 /nfs/dbraw/zinc/38/47/28/659384728.db2.gz POZUWDBMALZIRC-YVEFUNNKSA-N 1 0 395.301 1.317 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(I)cc1 ZINC000903874702 659385823 /nfs/dbraw/zinc/38/58/23/659385823.db2.gz HSVFUIKRVNMJNL-ZDUSSCGKSA-N 1 0 389.237 1.150 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1ccc(Br)cc1Cl ZINC000903968276 659390341 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CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CCCOC2CCCC2)CCC1 ZINC000905077325 659420821 /nfs/dbraw/zinc/42/08/21/659420821.db2.gz XIIAAGSCEYEPKW-MRXNPFEDSA-N 1 0 376.563 1.927 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC[S@@](=O)C(C)(C)C)CCC1 ZINC000905109933 659424872 /nfs/dbraw/zinc/42/48/72/659424872.db2.gz OYAQTYLPYRSTKX-JCQPUDPBSA-N 1 0 382.592 1.125 20 0 GDADRO CSC1(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCOCC1 ZINC000905132564 659426255 /nfs/dbraw/zinc/42/62/55/659426255.db2.gz BHVNPVHMHNIZJS-CQSZACIVSA-N 1 0 394.603 1.490 20 0 GDADRO Cc1nc(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)sc1C ZINC000905143373 659426765 /nfs/dbraw/zinc/42/67/65/659426765.db2.gz BMKQTUJONUZHAH-CYBMUJFWSA-N 1 0 375.560 1.851 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)CC2(CO)CCCC2)s1 ZINC000905178460 659429659 /nfs/dbraw/zinc/42/96/59/659429659.db2.gz XCSMUVYXMAZJBR-CQSZACIVSA-N 1 0 376.544 1.228 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000905204800 659432554 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COC(=O)c1cc(Br)cc(NC(=O)C2CN(C)CC[N@H+](C)C2)c1C ZINC000910926387 659988676 /nfs/dbraw/zinc/98/86/76/659988676.db2.gz SFWPXUOJDRKUMN-UHFFFAOYSA-N 1 0 398.301 1.976 20 0 GDADRO O=C(NCCSCc1ccnc(Cl)c1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000910951016 659989098 /nfs/dbraw/zinc/98/90/98/659989098.db2.gz YJBPHHLZCYXQCA-CQSZACIVSA-N 1 0 384.933 1.733 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000910950718 659989125 /nfs/dbraw/zinc/98/91/25/659989125.db2.gz SRKLARGBKUCLQG-TZMCWYRMSA-N 1 0 384.933 1.528 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000910969833 659989455 /nfs/dbraw/zinc/98/94/55/659989455.db2.gz HUTGTWCTJCFRFO-SMDDNHRTSA-N 1 0 382.302 1.692 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000910972062 659989681 /nfs/dbraw/zinc/98/96/81/659989681.db2.gz OUYPJBCJGIJHHS-IAISJRAMSA-N 1 0 394.313 1.836 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000911030648 659991515 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XYPRLKNAESGSIY-OAHLLOKOSA-N 1 0 375.853 1.341 20 0 GDADRO CCN(C(=O)c1cn(C)nc1I)[C@H]1CC[N@H+](CC)C1 ZINC000912398609 660035687 /nfs/dbraw/zinc/03/56/87/660035687.db2.gz LGYZYTMMBMAIJB-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000912404521 660035810 /nfs/dbraw/zinc/03/58/10/660035810.db2.gz ZUSWVJRCXDEMDB-HNNXBMFYSA-N 1 0 382.302 1.995 20 0 GDADRO C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000912466501 660038990 /nfs/dbraw/zinc/03/89/90/660038990.db2.gz HNORFNHEUXPPPV-WHOFXGATSA-N 1 0 382.302 1.821 20 0 GDADRO C[NH+](C)[C@H]1C[C@H](NC(=O)CSc2nnnn2CC(F)(F)F)C12CCC2 ZINC000912601454 660043833 /nfs/dbraw/zinc/04/38/33/660043833.db2.gz UVZJEMPXLWWRII-UWVGGRQHSA-N 1 0 378.424 1.317 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)CC[N@H+](C)CCO ZINC000912608896 660044938 /nfs/dbraw/zinc/04/49/38/660044938.db2.gz QGAYJGZHCDDNNU-JTQLQIEISA-N 1 0 392.319 1.011 20 0 GDADRO CC(C)[C@H]1CN(C(=O)Cn2nc(Br)c(Br)n2)CC[NH2+]1 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375.724 1.924 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N=S(C)(C)=O ZINC000913643235 660090568 /nfs/dbraw/zinc/09/05/68/660090568.db2.gz RFTSFNPKLCJLNM-UHFFFAOYSA-N 1 0 375.516 1.093 20 0 GDADRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000914066415 660113706 /nfs/dbraw/zinc/11/37/06/660113706.db2.gz VSQWGSMZJGRMSR-GJZGRUSLSA-N 1 0 375.535 1.599 20 0 GDADRO C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)C[C@H]1[NH+](C)C ZINC000914241220 660131189 /nfs/dbraw/zinc/13/11/89/660131189.db2.gz GSMMCYJEBNMJJF-DZGCQCFKSA-N 1 0 375.535 1.167 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cscc2C(F)F)CC1 ZINC000914260355 660133310 /nfs/dbraw/zinc/13/33/10/660133310.db2.gz QCWQFRSUNODOQR-LBPRGKRZSA-N 1 0 393.481 1.613 20 0 GDADRO S=C(NCCCN1CCOCC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000915124165 660161879 /nfs/dbraw/zinc/16/18/79/660161879.db2.gz LIBOAEFMOQWOHK-UHFFFAOYSA-N 1 0 386.631 1.534 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)Cc1ccsc1Br ZINC000915697306 660177112 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1.900 20 0 GDADRO Cc1ccc(N2CCO[C@@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)C[C@H]32)nn1 ZINC001164778900 721312971 /nfs/dbraw/zinc/31/29/71/721312971.db2.gz ZIHBTVZFTVBRPM-RTBURBONSA-N 1 0 380.496 1.868 20 0 GDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc(N)n4)C3)O2)CC1 ZINC001164889236 721378247 /nfs/dbraw/zinc/37/82/47/721378247.db2.gz LEUIFXLIYDTXPP-KDOFPFPSSA-N 1 0 380.924 1.478 20 0 GDADRO COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164889788 721391125 /nfs/dbraw/zinc/39/11/25/721391125.db2.gz MIEOITANRJWABM-FXAWDEMLSA-N 1 0 389.500 1.029 20 0 GDADRO COc1cc(OC)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889232 721394303 /nfs/dbraw/zinc/39/43/03/721394303.db2.gz LCGFYQQKSDWIEK-UZLBHIALSA-N 1 0 391.516 1.259 20 0 GDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cccc(Cl)[n+]4[O-])C3)O2)CC1 ZINC001164888815 721403314 /nfs/dbraw/zinc/40/33/14/721403314.db2.gz ORYCSTGUCMTBSK-APWZRJJASA-N 1 0 380.920 1.739 20 0 GDADRO COc1cc(C)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887703 721406642 /nfs/dbraw/zinc/40/66/42/721406642.db2.gz MMBMCWCMJUZKNQ-PXNSSMCTSA-N 1 0 375.517 1.559 20 0 GDADRO COc1ncnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164883673 721408112 /nfs/dbraw/zinc/40/81/12/721408112.db2.gz BTAKPEFQYUNDAL-FXAWDEMLSA-N 1 0 375.517 1.559 20 0 GDADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@H]43)n2)CC1 ZINC001164892692 721457751 /nfs/dbraw/zinc/45/77/51/721457751.db2.gz XFSDPCLOJNMXRN-FGTMMUONSA-N 1 0 385.512 1.096 20 0 GDADRO CCOC(=O)c1ccc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1 ZINC001164795228 721508681 /nfs/dbraw/zinc/50/86/81/721508681.db2.gz HPUAWLXTRZQNEH-UHFFFAOYSA-N 1 0 384.484 1.222 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN([C@@H](F)Oc2cccc(Cl)n2)CC3)CC1 ZINC001164794515 721513884 /nfs/dbraw/zinc/51/38/84/721513884.db2.gz RNEMYPNNEJJTSJ-GOSISDBHSA-N 1 0 394.882 1.827 20 0 GDADRO CN(Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)CC[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164806123 721536972 /nfs/dbraw/zinc/53/69/72/721536972.db2.gz OCIFLYGFHAOKAO-VAMGGRTRSA-N 1 0 380.496 1.386 20 0 GDADRO NC(=O)c1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903960 721541094 /nfs/dbraw/zinc/54/10/94/721541094.db2.gz DNHRCSPWXNFBHG-GXTWGEPZSA-N 1 0 391.834 1.710 20 0 GDADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H]2CCCO[C@@H]12 ZINC001164803032 721559698 /nfs/dbraw/zinc/55/96/98/721559698.db2.gz JFQXPKVODVNDMY-RZQQEMMASA-N 1 0 395.463 1.676 20 0 GDADRO Cc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1C1C[NH2+]C1 ZINC001164801444 721592177 /nfs/dbraw/zinc/59/21/77/721592177.db2.gz DVANARDHSFSBSB-SVFBPWRDSA-N 1 0 394.523 1.735 20 0 GDADRO COc1ccc(CN2C(=O)CO[C@H]3CN(c4cc(C[NH+](C)C)ccn4)C[C@H]32)cc1 ZINC001165026977 721796968 /nfs/dbraw/zinc/79/69/68/721796968.db2.gz TVXZDOBLVNGNAN-UXHICEINSA-N 1 0 396.491 1.768 20 0 GDADRO COCCN1CCO[C@@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@@H]2C1=O ZINC001164925015 721844584 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GNMLHCVRYWIYKK-ZWNOBZJWSA-N 1 0 386.485 1.458 20 0 GDADRO CC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821199138 945652906 /nfs/dbraw/zinc/65/29/06/945652906.db2.gz ZPLAVTCINKCBQF-CABCVRRESA-N 1 0 392.529 1.921 20 0 GDADRO Cc1ncsc1C[NH2+]CC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571272310 945659895 /nfs/dbraw/zinc/65/98/95/945659895.db2.gz RHHKROHOOYXMTR-UHFFFAOYSA-N 1 0 386.485 1.602 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272562 945665421 /nfs/dbraw/zinc/66/54/21/945665421.db2.gz WUZMVNMWMVVVSG-NEPJUHHUSA-N 1 0 386.485 1.221 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001571276669 945734675 /nfs/dbraw/zinc/73/46/75/945734675.db2.gz IWBQHNQNXZZRLQ-LBPRGKRZSA-N 1 0 387.394 1.725 20 0 GDADRO O=C(C[NH+]1CCCC1)N[C@H]1CCCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571280955 945795725 /nfs/dbraw/zinc/79/57/25/945795725.db2.gz ALWJMZPSEPVRPS-HNNXBMFYSA-N 1 0 387.463 1.182 20 0 GDADRO O=C(Cc1ccon1)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571282457 945844782 /nfs/dbraw/zinc/84/47/82/945844782.db2.gz ZBASNTINHCLCBC-HAQNSBGRSA-N 1 0 387.469 1.676 20 0 GDADRO C[NH+]1CCC(C(=O)NC2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)CC1 ZINC001571282729 945856611 /nfs/dbraw/zinc/85/66/11/945856611.db2.gz PBGHBVXQLFYXJC-UHFFFAOYSA-N 1 0 387.463 1.433 20 0 GDADRO CCCC[N@@H+]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC2(CCOCC2)C1 ZINC001571283930 945893113 /nfs/dbraw/zinc/89/31/13/945893113.db2.gz LEBWYWVAMYJOAK-OAHLLOKOSA-N 1 0 387.488 1.596 20 0 GDADRO CO[C@@H](C[NH+]1CCC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)C1CCC1 ZINC001571283945 945895142 /nfs/dbraw/zinc/89/51/42/945895142.db2.gz LKHLBERAVYPAQS-KRWDZBQOSA-N 1 0 387.488 1.452 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCCO1 ZINC001571287624 945975938 /nfs/dbraw/zinc/97/59/38/945975938.db2.gz GGXALRYXEFSEJV-ZACQAIPSSA-N 1 0 388.447 1.702 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1cnns1 ZINC001571287663 945978195 /nfs/dbraw/zinc/97/81/95/945978195.db2.gz HFPDSYWPXSTSKT-JTQLQIEISA-N 1 0 388.432 1.109 20 0 GDADRO CCO[C@@H]1C[C@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571287855 945981340 /nfs/dbraw/zinc/98/13/40/945981340.db2.gz JOCJRVBFMSCTFS-IAGOWNOFSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H]1CO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571288324 945986263 /nfs/dbraw/zinc/98/62/63/945986263.db2.gz OCLIUDHIKTVLDT-ZILJWTLNSA-N 1 0 388.447 1.415 20 0 GDADRO O=C([C@H]1CCCOC1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571289176 945998463 /nfs/dbraw/zinc/99/84/63/945998463.db2.gz WKDAVWKTGMVCCP-HOTGVXAUSA-N 1 0 388.447 1.513 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001571289752 946017021 /nfs/dbraw/zinc/01/70/21/946017021.db2.gz LTUUKRWDRLZSGT-ZFWWWQNUSA-N 1 0 388.451 1.288 20 0 GDADRO O=C(N[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2)[C@H]1CCOC1 ZINC001571290183 946032415 /nfs/dbraw/zinc/03/24/15/946032415.db2.gz WZYMUVLNGGEBKO-WFASDCNBSA-N 1 0 388.497 1.435 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571290208 946033213 /nfs/dbraw/zinc/03/32/13/946033213.db2.gz XOWYQSPYSORTES-TZMCWYRMSA-N 1 0 388.497 1.744 20 0 GDADRO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571290625 946050255 /nfs/dbraw/zinc/05/02/55/946050255.db2.gz KKWSOSIMBHELFQ-DGAVXFQQSA-N 1 0 388.497 1.291 20 0 GDADRO CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(F)c(-c3nn[nH]n3)c1)C2 ZINC001571293387 946103025 /nfs/dbraw/zinc/10/30/25/946103025.db2.gz GWCLYUYIHGADBJ-DJJJIMSYSA-N 1 0 389.431 1.796 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)c1cccnc1 ZINC001571294032 946122298 /nfs/dbraw/zinc/12/22/98/946122298.db2.gz YSIACBVVYAXVLM-BPQTVZERSA-N 1 0 389.463 1.612 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC001571294599 946138081 /nfs/dbraw/zinc/13/80/81/946138081.db2.gz JYTHGCGEBJLGQF-LBPRGKRZSA-N 1 0 389.822 1.992 20 0 GDADRO O=C(C1C=CC=CC=C1)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571295495 946164340 /nfs/dbraw/zinc/16/43/40/946164340.db2.gz VIUGFPWQYLDIMC-NRFANRHFSA-N 1 0 389.463 1.989 20 0 GDADRO Fc1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)ccc1-n1cncn1 ZINC000822748229 946168193 /nfs/dbraw/zinc/16/81/93/946168193.db2.gz ODXKZXMWBQKDOR-UHFFFAOYSA-N 1 0 380.387 1.755 20 0 GDADRO O=C(c1ccc2c(c1)CCO2)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571295874 946176060 /nfs/dbraw/zinc/17/60/60/946176060.db2.gz IGZQZSSNXOSMAA-SFHVURJKSA-N 1 0 390.447 1.806 20 0 GDADRO O=C(c1ccnnc1)N1CC[C@@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571297903 946200953 /nfs/dbraw/zinc/20/09/53/946200953.db2.gz CPKVZIJLDJMVNB-HXUWFJFHSA-N 1 0 390.451 1.395 20 0 GDADRO O=C(c1cncnc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571297982 946203183 /nfs/dbraw/zinc/20/31/83/946203183.db2.gz GKYFLXDGPMYFIN-FQEVSTJZSA-N 1 0 390.451 1.395 20 0 GDADRO Cc1nnsc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571298299 946210144 /nfs/dbraw/zinc/21/01/44/946210144.db2.gz MUXCBGOABQTECC-LDYMZIIASA-N 1 0 390.498 1.338 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001571299230 946242760 /nfs/dbraw/zinc/24/27/60/946242760.db2.gz UYXSHFBTSLNFQX-HIFRSBDPSA-N 1 0 390.467 1.390 20 0 GDADRO C[C@H]1COCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571299318 946246287 /nfs/dbraw/zinc/24/62/87/946246287.db2.gz KLHRTLADISXJBC-SWLSCSKDSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1CCCO1 ZINC001571299381 946247648 /nfs/dbraw/zinc/24/76/48/946247648.db2.gz LXBKHPNWTONAEH-RGCMKSIDSA-N 1 0 390.513 1.728 20 0 GDADRO O=C(c1csnn1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571299391 946249453 /nfs/dbraw/zinc/24/94/53/946249453.db2.gz MERRMCCNUCDELT-JTQLQIEISA-N 1 0 390.498 1.564 20 0 GDADRO CCO[C@H]1C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571299758 946262861 /nfs/dbraw/zinc/26/28/61/946262861.db2.gz PQTIKFNNIQJZIA-GJZGRUSLSA-N 1 0 390.513 1.681 20 0 GDADRO Cc1nsc(N2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1-c1nn[nH]n1 ZINC001571299917 946266502 /nfs/dbraw/zinc/26/65/02/946266502.db2.gz RAQMCDXHSHVVIF-ZDUSSCGKSA-N 1 0 390.517 1.153 20 0 GDADRO C[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571300185 946274772 /nfs/dbraw/zinc/27/47/72/946274772.db2.gz WIYDPKDAGBWOCP-WFASDCNBSA-N 1 0 390.513 1.681 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)c1ncccc1O ZINC001571303192 946328322 /nfs/dbraw/zinc/32/83/22/946328322.db2.gz JOSUAZIJSJRJRY-PHZGNYQRSA-N 1 0 391.435 1.075 20 0 GDADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1sccc1-c1nn[nH]n1 ZINC000823171275 946335175 /nfs/dbraw/zinc/33/51/75/946335175.db2.gz SFYIULVHMJLHMI-GOSISDBHSA-N 1 0 384.465 1.295 20 0 GDADRO O=C(N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1cc2c(o1)CCCC2 ZINC001571304132 946357093 /nfs/dbraw/zinc/35/70/93/946357093.db2.gz YTKRDGRANUCKGR-UOIKSKOESA-N 1 0 391.435 1.598 20 0 GDADRO O=C1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1CCOc1ccccc1 ZINC000823520821 946443856 /nfs/dbraw/zinc/44/38/56/946443856.db2.gz NQLTYOTWZYFSDI-QGZVFWFLSA-N 1 0 378.436 1.636 20 0 GDADRO COc1ccccc1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571310548 946475967 /nfs/dbraw/zinc/47/59/67/946475967.db2.gz IXNZJFVRFZJNCO-KRWDZBQOSA-N 1 0 392.463 1.809 20 0 GDADRO Cc1ccc(OCC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC001571310642 946477332 /nfs/dbraw/zinc/47/73/32/946477332.db2.gz LMYZMNITZUJTCH-GOSISDBHSA-N 1 0 392.463 1.945 20 0 GDADRO O=C(Cc1ccc(F)cc1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571311053 946482833 /nfs/dbraw/zinc/48/28/33/946482833.db2.gz QUJXKLYLDQOBNL-RUYXUALKSA-N 1 0 392.438 1.795 20 0 GDADRO CCc1cccc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)n1 ZINC001571312856 946503786 /nfs/dbraw/zinc/50/37/86/946503786.db2.gz DTSJEXXGMJWJFB-CZUORRHYSA-N 1 0 392.467 1.604 20 0 GDADRO CN(C(=O)c1ccnnc1)C1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571313027 946510858 /nfs/dbraw/zinc/51/08/58/946510858.db2.gz IECVVXMZIZTLNV-UHFFFAOYSA-N 1 0 392.467 1.830 20 0 GDADRO CN(C(=O)c1cnn2c1CCC2)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571313311 946518191 /nfs/dbraw/zinc/51/81/91/946518191.db2.gz MHPHZVGAPUTBIT-INIZCTEOSA-N 1 0 392.467 1.356 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cncnc1 ZINC001571313511 946524869 /nfs/dbraw/zinc/52/48/69/946524869.db2.gz QMVHWRVXKAHJSD-KSSFIOAISA-N 1 0 392.467 1.369 20 0 GDADRO CCc1nc[nH]c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001571313679 946529953 /nfs/dbraw/zinc/52/99/53/946529953.db2.gz SZGKAENOYMTOIA-IYBDPMFKSA-N 1 0 392.467 1.356 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)C[C@@H](C)c3ccncc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314888 946544636 /nfs/dbraw/zinc/54/46/36/946544636.db2.gz CTXPCOVATVQYRP-CZUORRHYSA-N 1 0 392.467 1.594 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314913 946544780 /nfs/dbraw/zinc/54/47/80/946544780.db2.gz DMMNWFZNXKCNQF-ACJLOTCBSA-N 1 0 392.467 1.576 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cnn1 ZINC001571315227 946549705 /nfs/dbraw/zinc/54/97/05/946549705.db2.gz HRZKOSDXBDFMLD-SJLPKXTDSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1cc(C)nc(C(=O)N[C@@H]2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001571315189 946551360 /nfs/dbraw/zinc/55/13/60/946551360.db2.gz HBAPGIKCMLYWDP-GOEBONIOSA-N 1 0 392.467 1.706 20 0 GDADRO Cc1cc(NCC2CCN(C(=O)Cc3cccnc3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315861 946560580 /nfs/dbraw/zinc/56/05/80/946560580.db2.gz PYNDZYUXNMHTDT-UHFFFAOYSA-N 1 0 392.467 1.280 20 0 GDADRO Cc1cc(N2C[C@@H](NC(=O)Cc3cccnc3)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316146 946565606 /nfs/dbraw/zinc/56/56/06/946565606.db2.gz UXISZBKKQMINIR-HOCLYGCPSA-N 1 0 392.467 1.681 20 0 GDADRO Cc1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571316758 946587141 /nfs/dbraw/zinc/58/71/41/946587141.db2.gz LTDFRUIRVGXIMU-GOEBONIOSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1ccncc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571316796 946587582 /nfs/dbraw/zinc/58/75/82/946587582.db2.gz MTWVNNLGNFGDJI-ROUUACIJSA-N 1 0 392.467 1.777 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571316962 946595167 /nfs/dbraw/zinc/59/51/67/946595167.db2.gz QOIXRXBAILYVOQ-MAUKXSAKSA-N 1 0 392.467 1.337 20 0 GDADRO Cc1nccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571317059 946597580 /nfs/dbraw/zinc/59/75/80/946597580.db2.gz UIYVZBNGWFNUNM-IRXDYDNUSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1ncccc1C[N@@H+]1CC[C@]2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC[C@H]12 ZINC001571317168 946600850 /nfs/dbraw/zinc/60/08/50/946600850.db2.gz WZESOIQAIDJPRW-FXAWDEMLSA-N 1 0 392.467 1.825 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC001571317296 946607206 /nfs/dbraw/zinc/60/72/06/946607206.db2.gz BJCZLCVWXQFZHK-QPUJVOFHSA-N 1 0 392.876 1.555 20 0 GDADRO CC(C)(O)C[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000824172689 946607429 /nfs/dbraw/zinc/60/74/29/946607429.db2.gz OPPCGJBOUTVEHQ-UHFFFAOYSA-N 1 0 394.479 1.756 20 0 GDADRO CC(=O)Nc1cccc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001573546518 946811932 /nfs/dbraw/zinc/81/19/32/946811932.db2.gz CCUPXAMZMYXARN-SHTZXODSSA-N 1 0 392.423 1.015 20 0 GDADRO CC(=O)Nc1cccc(C[N@H+](C)CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1 ZINC001573546896 946819850 /nfs/dbraw/zinc/81/98/50/946819850.db2.gz QWIBPBUOPCCLHQ-UHFFFAOYSA-N 1 0 382.428 1.015 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000825411925 947181654 /nfs/dbraw/zinc/18/16/54/947181654.db2.gz HZFAHQBKDNLKKD-QZTJIDSGSA-N 1 0 383.500 1.778 20 0 GDADRO C=C/C(C)=C\CC(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573316042 947266232 /nfs/dbraw/zinc/26/62/32/947266232.db2.gz FOCBGTLFCGFGKN-XNISGLLXSA-N 1 0 383.456 1.154 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825658179 947278167 /nfs/dbraw/zinc/27/81/67/947278167.db2.gz BGVRLARELLPJOT-CQSZACIVSA-N 1 0 392.529 1.244 20 0 GDADRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573592208 947329023 /nfs/dbraw/zinc/32/90/23/947329023.db2.gz BBAQPACHNAUONQ-OLZOCXBDSA-N 1 0 386.485 1.419 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CCC1 ZINC001573592621 947343556 /nfs/dbraw/zinc/34/35/56/947343556.db2.gz LHCSKULHEYAEMM-YOEHRIQHSA-N 1 0 386.500 1.554 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCCOCC1 ZINC000825866255 947350920 /nfs/dbraw/zinc/35/09/20/947350920.db2.gz UHMKDVQJOAWWHE-KRWDZBQOSA-N 1 0 387.488 1.509 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573593691 947376805 /nfs/dbraw/zinc/37/68/05/947376805.db2.gz UVGNEIUMRKIQLP-IUODEOHRSA-N 1 0 390.463 1.303 20 0 GDADRO C[N@H+](CCCn1ccnc1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825938922 947376893 /nfs/dbraw/zinc/37/68/93/947376893.db2.gz ZDYUGSUASMKRPJ-KRWDZBQOSA-N 1 0 380.456 1.581 20 0 GDADRO CN(Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000825985962 947395209 /nfs/dbraw/zinc/39/52/09/947395209.db2.gz ISIFOFYOQSLIMA-GOSISDBHSA-N 1 0 378.484 1.936 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573603338 947485286 /nfs/dbraw/zinc/48/52/86/947485286.db2.gz KKKJUONDXUKVCY-DYVFJYSZSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H](C)C(C)(C)C ZINC001573607168 947540531 /nfs/dbraw/zinc/54/05/31/947540531.db2.gz GIGYDFPQGBAGKE-ZIAGYGMSSA-N 1 0 389.504 1.235 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000826184421 947566418 /nfs/dbraw/zinc/56/64/18/947566418.db2.gz WJPJGRKZKLJVKF-LLVKDONJSA-N 1 0 388.453 1.374 20 0 GDADRO C[C@H](C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573615801 947612214 /nfs/dbraw/zinc/61/22/14/947612214.db2.gz KUTHUNDNMMMZHZ-AWEZNQCLSA-N 1 0 392.467 1.675 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573619760 947669146 /nfs/dbraw/zinc/66/91/46/947669146.db2.gz XQEPWGCXXNQSGJ-WBVHZDCISA-N 1 0 379.468 1.962 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573368009 947766626 /nfs/dbraw/zinc/76/66/26/947766626.db2.gz KSANWWRNGPDCAC-KSSFIOAISA-N 1 0 384.484 1.810 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@@H](C)C1 ZINC001573369822 947776716 /nfs/dbraw/zinc/77/67/16/947776716.db2.gz XKAAAWIQVWEJPA-FZMZJTMJSA-N 1 0 376.486 1.624 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573373720 947797595 /nfs/dbraw/zinc/79/75/95/947797595.db2.gz KRSMOCAGXHRQCO-MRXNPFEDSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001573374097 947805383 /nfs/dbraw/zinc/80/53/83/947805383.db2.gz MLMIUXGWFGJUCT-ZFWWWQNUSA-N 1 0 385.472 1.339 20 0 GDADRO CC(=O)CCCC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573375874 947827938 /nfs/dbraw/zinc/82/79/38/947827938.db2.gz QZECCXNSQUHCBL-GFCCVEGCSA-N 1 0 376.436 1.702 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001573380499 947859667 /nfs/dbraw/zinc/85/96/67/947859667.db2.gz CYBSOQWATDHKGU-KRWDZBQOSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)NCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573382026 947880706 /nfs/dbraw/zinc/88/07/06/947880706.db2.gz CKYKCSJQIBRQAZ-UHFFFAOYSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573381946 947881311 /nfs/dbraw/zinc/88/13/11/947881311.db2.gz ZZKTXDCTVBURRD-GFCCVEGCSA-N 1 0 376.436 1.702 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573382473 947883328 /nfs/dbraw/zinc/88/33/28/947883328.db2.gz HEDWVKNVUHOHKJ-CYBMUJFWSA-N 1 0 376.486 1.626 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573383084 947888855 /nfs/dbraw/zinc/88/88/55/947888855.db2.gz NIJIUKDDMFUGHN-SHTZXODSSA-N 1 0 388.447 1.750 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573647344 947892750 /nfs/dbraw/zinc/89/27/50/947892750.db2.gz IKVSAPCJZPPHBH-YRGRVCCFSA-N 1 0 386.485 1.322 20 0 GDADRO Cc1nn(C)c(C)c1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826333561 947968500 /nfs/dbraw/zinc/96/85/00/947968500.db2.gz MHNDBFHUORDTLH-UHFFFAOYSA-N 1 0 377.456 1.907 20 0 GDADRO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573656833 947995147 /nfs/dbraw/zinc/99/51/47/947995147.db2.gz IPJPMQKONNIYNP-YVEFUNNKSA-N 1 0 386.485 1.467 20 0 GDADRO Cc1onc(CC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1-c1nn[nH]n1 ZINC000826344256 948004740 /nfs/dbraw/zinc/00/47/40/948004740.db2.gz BQOPWMYEHSBMSL-OAHLLOKOSA-N 1 0 387.488 1.676 20 0 GDADRO Cc1onc(CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1-c1nn[nH]n1 ZINC000826344995 948017217 /nfs/dbraw/zinc/01/72/17/948017217.db2.gz ZBZJUGIYGCLNBQ-OAHLLOKOSA-N 1 0 387.488 1.820 20 0 GDADRO Cc1onc(CC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826346616 948042765 /nfs/dbraw/zinc/04/27/65/948042765.db2.gz QRFMTADUWLKESW-IUODEOHRSA-N 1 0 381.440 1.657 20 0 GDADRO Cc1onc(CC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826346902 948046756 /nfs/dbraw/zinc/04/67/56/948046756.db2.gz YPIRJQHONSZZOF-RYUDHWBXSA-N 1 0 375.477 1.578 20 0 GDADRO Cc1onc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000826347091 948048854 /nfs/dbraw/zinc/04/88/54/948048854.db2.gz DZVDVNVVJRNHKD-INIZCTEOSA-N 1 0 381.440 1.659 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573666702 948088624 /nfs/dbraw/zinc/08/86/24/948088624.db2.gz VMASKFPRCBDIJR-KGLIPLIRSA-N 1 0 381.444 1.195 20 0 GDADRO CC(=O)N1C[C@@H](C)OC2(CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001573426688 948157960 /nfs/dbraw/zinc/15/79/60/948157960.db2.gz OHCVGDVPPOQVCR-GFCCVEGCSA-N 1 0 376.486 1.530 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC001573680884 948190558 /nfs/dbraw/zinc/19/05/58/948190558.db2.gz RGSNSJKWQOPKFU-AAEUAGOBSA-N 1 0 378.502 1.321 20 0 GDADRO CC(=O)N1CCC(CO[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001573433746 948205744 /nfs/dbraw/zinc/20/57/44/948205744.db2.gz NMQBMTCVPNRSQW-INIZCTEOSA-N 1 0 385.472 1.424 20 0 GDADRO CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573434281 948213821 /nfs/dbraw/zinc/21/38/21/948213821.db2.gz PQKLQMSWASPEEB-AAEUAGOBSA-N 1 0 383.378 1.451 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC1)[C@@H]1CCCO1 ZINC001573692146 948256600 /nfs/dbraw/zinc/25/66/00/948256600.db2.gz MLBPPWDGULAESX-PBHICJAKSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)[C@H]1CCCO1 ZINC001573692648 948270317 /nfs/dbraw/zinc/27/03/17/948270317.db2.gz RMVIVPYGIYPUCM-CZUORRHYSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C ZINC001573693191 948277932 /nfs/dbraw/zinc/27/79/32/948277932.db2.gz RTFREZSJNCKIBQ-BXUZGUMPSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1)C(F)(F)F ZINC001573693349 948279790 /nfs/dbraw/zinc/27/97/90/948279790.db2.gz WVGPRWFBNQDDMJ-VIFPVBQESA-N 1 0 386.353 1.943 20 0 GDADRO C[C@@H](C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573696497 948325767 /nfs/dbraw/zinc/32/57/67/948325767.db2.gz RHBZDBLQHOQNNK-NXVRBGIVSA-N 1 0 379.468 1.914 20 0 GDADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826456401 948330417 /nfs/dbraw/zinc/33/04/17/948330417.db2.gz BUBIDPOOBWCNLH-UHFFFAOYSA-N 1 0 381.440 1.651 20 0 GDADRO O=C1[C@H]([N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476089 948376862 /nfs/dbraw/zinc/37/68/62/948376862.db2.gz AMOPMHIZUBSURL-CDXJDZJCSA-N 1 0 396.495 1.989 20 0 GDADRO O=C1[C@@H](N2CC[N@@H+]3CCCC[C@@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477297 948387718 /nfs/dbraw/zinc/38/77/18/948387718.db2.gz ZKAURBKWWMTIFC-MSOLQXFVSA-N 1 0 381.484 1.532 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573707540 948436022 /nfs/dbraw/zinc/43/60/22/948436022.db2.gz PVQOORLNXJUMQR-OLZOCXBDSA-N 1 0 386.485 1.324 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCCO1)C1CC1 ZINC001573707742 948438118 /nfs/dbraw/zinc/43/81/18/948438118.db2.gz PHLYQKHHSZEHRY-TZMCWYRMSA-N 1 0 390.513 1.681 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000826513800 948439438 /nfs/dbraw/zinc/43/94/38/948439438.db2.gz WKFAOJAUUIVAIM-CTNGQTDRSA-N 1 0 398.511 1.759 20 0 GDADRO C[C@@H](C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573714365 948472974 /nfs/dbraw/zinc/47/29/74/948472974.db2.gz GQMRQTOTZLOWBV-ZIAGYGMSSA-N 1 0 381.440 1.991 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573730571 948582888 /nfs/dbraw/zinc/58/28/88/948582888.db2.gz RHBZDBLQHOQNNK-ZVZYQTTQSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H](C)c1cccnc1 ZINC001573740622 948640091 /nfs/dbraw/zinc/64/00/91/948640091.db2.gz RATRIGGCRCFVQX-CHWSQXEVSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C)n1cccn1 ZINC001573746493 948682774 /nfs/dbraw/zinc/68/27/74/948682774.db2.gz MTXFTVBDRUOOPR-KEYYUXOJSA-N 1 0 380.456 1.403 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@@H]1CCCO1 ZINC001573751594 948702717 /nfs/dbraw/zinc/70/27/17/948702717.db2.gz BRNUCHHJVADEHL-GDLHICMESA-N 1 0 388.447 1.558 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCNc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001574678284 948745503 /nfs/dbraw/zinc/74/55/03/948745503.db2.gz CCIZFZISUZCPKB-CYBMUJFWSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574914815 948753903 /nfs/dbraw/zinc/75/39/03/948753903.db2.gz NGOGAACYWPIDIL-ZDUSSCGKSA-N 1 0 381.440 1.194 20 0 GDADRO CC(C)[C@@H](C(=O)N[C@H](C)CCNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCC1 ZINC001574679493 948785375 /nfs/dbraw/zinc/78/53/75/948785375.db2.gz WGKRNJNUSNFUKF-CJNGLKHVSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574916728 948788176 /nfs/dbraw/zinc/78/81/76/948788176.db2.gz IIDRLCWWLFUUGR-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574917134 948804483 /nfs/dbraw/zinc/80/44/83/948804483.db2.gz RSWLHTYUKPVNJE-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574917184 948811006 /nfs/dbraw/zinc/81/10/06/948811006.db2.gz SYUWROYUYXSVND-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccnn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574917496 948818276 /nfs/dbraw/zinc/81/82/76/948818276.db2.gz YVFKODSEPKYAIK-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CNC(=O)CCCn1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574917804 948827577 /nfs/dbraw/zinc/82/75/77/948827577.db2.gz BVQNLQOKJLKHAO-CYBMUJFWSA-N 1 0 386.435 1.277 20 0 GDADRO CC(C)c1ccoc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574421970 948828040 /nfs/dbraw/zinc/82/80/40/948828040.db2.gz SINJMMAHRQVGMX-AWEZNQCLSA-N 1 0 384.440 1.464 20 0 GDADRO CC(C)c1nc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cs1 ZINC001574424610 948857675 /nfs/dbraw/zinc/85/76/75/948857675.db2.gz RLRNIGVCRXXVLA-LLVKDONJSA-N 1 0 384.469 1.590 20 0 GDADRO CC(C)c1nc(C(=O)N(C)CCCNc2cc[nH+]cc2-c2nn[nH]n2)cs1 ZINC001574424730 948860615 /nfs/dbraw/zinc/86/06/15/948860615.db2.gz SSEZSLWIQQXZGB-UHFFFAOYSA-N 1 0 386.485 1.838 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1cncc(-c2nn[nH]n2)n1 ZINC001574919361 948871919 /nfs/dbraw/zinc/87/19/19/948871919.db2.gz XNSSAXMSKRRISU-AWEZNQCLSA-N 1 0 387.492 1.087 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncs1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920237 948889594 /nfs/dbraw/zinc/88/95/94/948889594.db2.gz GOHGGZSMISYMGK-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574684918 948897929 /nfs/dbraw/zinc/89/79/29/948897929.db2.gz PEANZCPMJHONAL-RISCZKNCSA-N 1 0 392.895 1.706 20 0 GDADRO C[C@@H](CNC(=O)CCc1ncccn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574921188 948917955 /nfs/dbraw/zinc/91/79/55/948917955.db2.gz UXUHNSLJCXPIMB-LBPRGKRZSA-N 1 0 386.485 1.288 20 0 GDADRO C[C@@H](CNC(=O)CCc1ncccn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574921450 948923436 /nfs/dbraw/zinc/92/34/36/948923436.db2.gz XTWACESWNLNSTL-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@H](CNC(=O)CCc1ncccn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574921449 948924622 /nfs/dbraw/zinc/92/46/22/948924622.db2.gz XTWACESWNLNSTL-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)c1ncsc1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574432689 948938990 /nfs/dbraw/zinc/93/89/90/948938990.db2.gz AGSFUMSYSHTFSD-NSHDSACASA-N 1 0 384.469 1.590 20 0 GDADRO C[C@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CC2 ZINC001575241086 948972245 /nfs/dbraw/zinc/97/22/45/948972245.db2.gz AVEHBAOZMFWZNT-ZDUSSCGKSA-N 1 0 375.452 1.871 20 0 GDADRO 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CC(C)(C(=O)N[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCC1 ZINC001573774064 949001108 /nfs/dbraw/zinc/00/11/08/949001108.db2.gz PXYAHZDVWBUVSS-AWEZNQCLSA-N 1 0 384.488 1.221 20 0 GDADRO C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574926468 949003133 /nfs/dbraw/zinc/00/31/33/949003133.db2.gz RKDVACMIGFOLBA-GFCCVEGCSA-N 1 0 377.468 1.900 20 0 GDADRO C[C@H](F)CC[NH+]1CCC2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001575243979 949008203 /nfs/dbraw/zinc/00/82/03/949008203.db2.gz TULROBJURJXUNS-ZDUSSCGKSA-N 1 0 375.452 1.871 20 0 GDADRO CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001574091393 949014329 /nfs/dbraw/zinc/01/43/29/949014329.db2.gz KWLMXINYZJMGKV-UONOGXRCSA-N 1 0 385.472 1.053 20 0 GDADRO C[C@H](CNC(=O)C[NH+]1CCCC1)N(C)c1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574926774 949023143 /nfs/dbraw/zinc/02/31/43/949023143.db2.gz XGRBZTNTFJFLEL-SECBINFHSA-N 1 0 384.897 1.013 20 0 GDADRO CC(C)(C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573774930 949025247 /nfs/dbraw/zinc/02/52/47/949025247.db2.gz YOMSSDXDNPIEOF-UHFFFAOYSA-N 1 0 387.463 1.181 20 0 GDADRO C[C@H](CNC(=O)COC(C)(C)C)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574927516 949046781 /nfs/dbraw/zinc/04/67/81/949046781.db2.gz JSOBOXMZMLNYKS-GFCCVEGCSA-N 1 0 378.452 1.757 20 0 GDADRO CC(C)c1nocc1C(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574441078 949047604 /nfs/dbraw/zinc/04/76/04/949047604.db2.gz BDVYOJQNSFJDMC-UHFFFAOYSA-N 1 0 387.419 1.979 20 0 GDADRO C[C@H](F)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001575248436 949069571 /nfs/dbraw/zinc/06/95/71/949069571.db2.gz SFHFCHWDSFCUIB-VIRABCJISA-N 1 0 375.452 1.916 20 0 GDADRO CC(C)c1nocc1C(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574441893 949081807 /nfs/dbraw/zinc/08/18/07/949081807.db2.gz DSLLYBWFPSJNHO-XHDPSFHLSA-N 1 0 382.428 1.368 20 0 GDADRO CC(C)c1nocc1C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001574441892 949083699 /nfs/dbraw/zinc/08/36/99/949083699.db2.gz DSLLYBWFPSJNHO-NHYWBVRUSA-N 1 0 382.428 1.368 20 0 GDADRO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1nccnc1-c1nn[nH]n1 ZINC001574694892 949095024 /nfs/dbraw/zinc/09/50/24/949095024.db2.gz XQOCBWVRAVCEAJ-ZDUSSCGKSA-N 1 0 387.492 1.180 20 0 GDADRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccccc1-c1nn[nH]n1 ZINC001574093561 949111221 /nfs/dbraw/zinc/11/12/21/949111221.db2.gz SSVUSKIGCBDKSO-DOTOQJQBSA-N 1 0 384.484 1.967 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001575250937 949121203 /nfs/dbraw/zinc/12/12/03/949121203.db2.gz JFLWKUYTLXMTDX-QWHCGFSZSA-N 1 0 387.492 1.226 20 0 GDADRO C[C@H](NC(=O)[C@]1(F)CCOC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575251989 949152671 /nfs/dbraw/zinc/15/26/71/949152671.db2.gz DFNDSUQUSXAIDH-VOJFVSQTSA-N 1 0 392.410 1.071 20 0 GDADRO C[C@@H](NC(=O)C1(C)CCOCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575252275 949159646 /nfs/dbraw/zinc/15/96/46/949159646.db2.gz FAFFTSGPRSANFD-CQSZACIVSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+](C)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001575514241 949161776 /nfs/dbraw/zinc/16/17/76/949161776.db2.gz BPEVCNCMDQIKNL-LBPRGKRZSA-N 1 0 381.444 1.282 20 0 GDADRO C[C@@H](OCC1CC1)C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574697925 949168130 /nfs/dbraw/zinc/16/81/30/949168130.db2.gz DGKYDBSOWRWXTR-QWHCGFSZSA-N 1 0 390.463 1.757 20 0 GDADRO C[C@@H](CNC(=O)COc1ccc(F)cc1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934764 949175231 /nfs/dbraw/zinc/17/52/31/949175231.db2.gz QCVUDNMESFRNRD-GFCCVEGCSA-N 1 0 385.403 1.066 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574934954 949187912 /nfs/dbraw/zinc/18/79/12/949187912.db2.gz VXUQGCSRNCDZDK-CYBMUJFWSA-N 1 0 384.415 1.679 20 0 GDADRO CC(C)c1oncc1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574449380 949195206 /nfs/dbraw/zinc/19/52/06/949195206.db2.gz QEEFWFDBMZKBAY-OAHLLOKOSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)Cc1c(F)cccc1F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574935331 949196978 /nfs/dbraw/zinc/19/69/78/949196978.db2.gz AIQWCNBXMNUZTE-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575254492 949205410 /nfs/dbraw/zinc/20/54/10/949205410.db2.gz WKMIMFDCKGKJEE-VXGBXAGGSA-N 1 0 390.467 1.580 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575254757 949219140 /nfs/dbraw/zinc/21/91/40/949219140.db2.gz XNAXUKJQUKYJSD-CHWSQXEVSA-N 1 0 387.492 1.226 20 0 GDADRO C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575517297 949229760 /nfs/dbraw/zinc/22/97/60/949229760.db2.gz VASUUUSJDCXSJT-CHWSQXEVSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574699416 949233794 /nfs/dbraw/zinc/23/37/94/949233794.db2.gz UOSLYZKSGZDZSN-STQMWFEESA-N 1 0 390.463 1.757 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)C[C@@H]2CCCCO2)CC1 ZINC001575854640 949238900 /nfs/dbraw/zinc/23/89/00/949238900.db2.gz YQNNJPQGZGBEHO-AWEZNQCLSA-N 1 0 385.472 1.436 20 0 GDADRO C[C@@H](OCC1CC1)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574699709 949245927 /nfs/dbraw/zinc/24/59/27/949245927.db2.gz VXUQYNFTBMLUEU-QWHCGFSZSA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)n1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001574452958 949273146 /nfs/dbraw/zinc/27/31/46/949273146.db2.gz SNYZXAWSYZYONK-ZDUSSCGKSA-N 1 0 386.485 1.710 20 0 GDADRO CC(C)(C)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573793572 949302415 /nfs/dbraw/zinc/30/24/15/949302415.db2.gz VFQOBIYZZFTPOZ-ZBFHGGJFSA-N 1 0 384.484 1.856 20 0 GDADRO CC(C)(C)C(=O)N1CCOC2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001573794744 949321089 /nfs/dbraw/zinc/32/10/89/949321089.db2.gz JLFSSQVBMHLHIM-UHFFFAOYSA-N 1 0 385.472 1.506 20 0 GDADRO CC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573796877 949340423 /nfs/dbraw/zinc/34/04/23/949340423.db2.gz VBGRXMHAWPBRJZ-AWEZNQCLSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)(C)C(=O)N1CCCO[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573796959 949344963 /nfs/dbraw/zinc/34/49/63/949344963.db2.gz YKYJRCVIZQWUNY-OAHLLOKOSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001575262452 949374351 /nfs/dbraw/zinc/37/43/51/949374351.db2.gz AMGGUZHBDNSAPF-UONOGXRCSA-N 1 0 386.504 1.687 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704194 949375226 /nfs/dbraw/zinc/37/52/26/949375226.db2.gz APCKLYZKEQYFIU-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704192 949377027 /nfs/dbraw/zinc/37/70/27/949377027.db2.gz APCKLYZKEQYFIU-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@]1(C(=O)N2CC3(C2)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C3)CCOC1 ZINC001575527654 949378486 /nfs/dbraw/zinc/37/84/86/949378486.db2.gz FUFUEYZUTLHODI-LJQANCHMSA-N 1 0 382.468 1.328 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C2CC2)n1 ZINC001574460664 949379396 /nfs/dbraw/zinc/37/93/96/949379396.db2.gz WDMYMWUAELTDIY-MRXNPFEDSA-N 1 0 383.460 1.270 20 0 GDADRO C[C@@H](NC(=O)C1CCOCC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263134 949386255 /nfs/dbraw/zinc/38/62/55/949386255.db2.gz DYIZPJJFMYTUMK-GFCCVEGCSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@@H](CNC(=O)Cc1ncccc1F)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574944400 949393252 /nfs/dbraw/zinc/39/32/52/949393252.db2.gz CTLLCDNGNJAWKW-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO CC(C)n1cnc(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)c1 ZINC001574464678 949420757 /nfs/dbraw/zinc/42/07/57/949420757.db2.gz QURZDUHHSZAEQC-UHFFFAOYSA-N 1 0 386.485 1.758 20 0 GDADRO CC(C)n1cnc(C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001574465052 949425199 /nfs/dbraw/zinc/42/51/99/949425199.db2.gz UYEOKLKADLKHPS-UHFFFAOYSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575264577 949428851 /nfs/dbraw/zinc/42/88/51/949428851.db2.gz PAJBVCNEQBHJTK-PBHICJAKSA-N 1 0 386.500 1.744 20 0 GDADRO CC(C)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574117478 949470111 /nfs/dbraw/zinc/47/01/11/949470111.db2.gz VMGVGWOQSGNCPS-SFHVURJKSA-N 1 0 376.436 1.105 20 0 GDADRO C[C@H](NC(=O)CC1(O)CCC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575267700 949506442 /nfs/dbraw/zinc/50/64/42/949506442.db2.gz JZANPBJPBZJGOS-LBPRGKRZSA-N 1 0 388.447 1.247 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574710741 949510785 /nfs/dbraw/zinc/51/07/85/949510785.db2.gz APUDUYVVTPCANN-KBXCAEBGSA-N 1 0 392.463 1.979 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575538855 949531524 /nfs/dbraw/zinc/53/15/24/949531524.db2.gz JYICQIQGZFYAII-DNVCBOLYSA-N 1 0 388.447 1.513 20 0 GDADRO 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ZINC001574725322 949900303 /nfs/dbraw/zinc/90/03/03/949900303.db2.gz RRAHGKLQAWLVIJ-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1cncnc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574726048 949922584 /nfs/dbraw/zinc/92/25/84/949922584.db2.gz XDSFGOVGPGAXJE-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC001575891019 949978518 /nfs/dbraw/zinc/97/85/18/949978518.db2.gz CSPXERIMANFPJP-CMPLNLGQSA-N 1 0 379.415 1.823 20 0 GDADRO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNc1cccc(F)c1-c1nn[nH]n1 ZINC001576181415 950002811 /nfs/dbraw/zinc/00/28/11/950002811.db2.gz IDDKUTHVWLHHRQ-UONOGXRCSA-N 1 0 389.479 1.854 20 0 GDADRO CC1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CCOCC1 ZINC001575573967 950005705 /nfs/dbraw/zinc/00/57/05/950005705.db2.gz QPESGGPBFUCTFP-KRWDZBQOSA-N 1 0 384.484 1.668 20 0 GDADRO CC1(C)C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575574519 950020381 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CC(C)(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001573844369 950193336 /nfs/dbraw/zinc/19/33/36/950193336.db2.gz HUGKQISVASPDPF-CQSZACIVSA-N 1 0 387.488 1.594 20 0 GDADRO C[C@H]1CCN(C(=O)c2ncccn2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576191673 950205553 /nfs/dbraw/zinc/20/55/53/950205553.db2.gz HRXGOPVFRLXBPS-YOEHRIQHSA-N 1 0 392.467 1.545 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccn(C)n1 ZINC001575900897 950210002 /nfs/dbraw/zinc/21/00/02/950210002.db2.gz IZXDRKRGOADDNR-XHDPSFHLSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1ccco1 ZINC001575900901 950212068 /nfs/dbraw/zinc/21/20/68/950212068.db2.gz JCFIXAMUSRKTJE-YVEFUNNKSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1ccoc1 ZINC001575901815 950240595 /nfs/dbraw/zinc/24/05/95/950240595.db2.gz QFANOPDAQLFRFC-SJCJKPOMSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574741751 950256244 /nfs/dbraw/zinc/25/62/44/950256244.db2.gz BYVAMHCYPGSATK-LLVKDONJSA-N 1 0 383.460 1.277 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)CNc2ncccc2-c2nn[nH]n2)C1 ZINC001576192880 950271757 /nfs/dbraw/zinc/27/17/57/950271757.db2.gz QGHJGQMUPCSYNG-CQSZACIVSA-N 1 0 386.504 1.500 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574742391 950281413 /nfs/dbraw/zinc/28/14/13/950281413.db2.gz PAUZGCSGLYLFQA-USWWRNFRSA-N 1 0 382.390 1.844 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1cnc[nH]1 ZINC001575905730 950299374 /nfs/dbraw/zinc/29/93/74/950299374.db2.gz DTQRRNYXLYQTNM-BZNIZROVSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@@]1(C(=O)NCCN(Cc2cc(-c3nn[nH]n3)ccc2F)C2CC2)CCOC1 ZINC001575593241 950307399 /nfs/dbraw/zinc/30/73/99/950307399.db2.gz MYQOJGMBRYLPKV-LJQANCHMSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ncccc1O ZINC001575907153 950325405 /nfs/dbraw/zinc/32/54/05/950325405.db2.gz LWYVFZSJKFYEOB-JQWIXIFHSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@H](CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001574501648 950336089 /nfs/dbraw/zinc/33/60/89/950336089.db2.gz FTIDTTBUOOMCGA-OAHLLOKOSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)C1CCOCC1 ZINC001575907955 950347889 /nfs/dbraw/zinc/34/78/89/950347889.db2.gz RXOBAIHPKKLXKK-YVEFUNNKSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575908133 950354302 /nfs/dbraw/zinc/35/43/02/950354302.db2.gz ALESELPNAQMNTC-LRDDRELGSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2nccn2C(F)F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908195 950355465 /nfs/dbraw/zinc/35/54/65/950355465.db2.gz AWNSOBFPCLSYKX-KOLCDFICSA-N 1 0 391.386 1.179 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001576196278 950358263 /nfs/dbraw/zinc/35/82/63/950358263.db2.gz CEMGCRRHRFXQKL-AWEZNQCLSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001576196279 950362155 /nfs/dbraw/zinc/36/21/55/950362155.db2.gz CEMGCRRHRFXQKL-CQSZACIVSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(CNc3ccc(-c4nn[nH]n4)nc3)C2)C1 ZINC001576196478 950364591 /nfs/dbraw/zinc/36/45/91/950364591.db2.gz FDSMWRKVRYHFFX-LIRRHRJNSA-N 1 0 384.488 1.254 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574744733 950365827 /nfs/dbraw/zinc/36/58/27/950365827.db2.gz ACNIPEPJRNBEAE-LLVKDONJSA-N 1 0 383.460 1.277 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001574744811 950367739 /nfs/dbraw/zinc/36/77/39/950367739.db2.gz BUGZXXJTNZPOGJ-CYBMUJFWSA-N 1 0 382.472 1.511 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCC[C@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001576196972 950378278 /nfs/dbraw/zinc/37/82/78/950378278.db2.gz KTBPYYXJNXPGEB-INIZCTEOSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H](CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001574502683 950390357 /nfs/dbraw/zinc/39/03/57/950390357.db2.gz PUYOOLLCYVQRRJ-HNNXBMFYSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccncc1 ZINC001575909377 950396063 /nfs/dbraw/zinc/39/60/63/950396063.db2.gz ZFGOCCUWCFLXTG-HNAYVOBHSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575597038 950396919 /nfs/dbraw/zinc/39/69/19/950396919.db2.gz LJMVLSDJVJWOAF-HGQUKEQDSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575597289 950409221 /nfs/dbraw/zinc/40/92/21/950409221.db2.gz OAEAUIWLUARFDZ-PJIJBLCYSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001574747476 950410351 /nfs/dbraw/zinc/41/03/51/950410351.db2.gz SRCFFBOPEDTLJP-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[nH]n4)nc3)C2)C1 ZINC001576198836 950415609 /nfs/dbraw/zinc/41/56/09/950415609.db2.gz VQXHQUYUVAYHFE-ZBFHGGJFSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575910506 950421897 /nfs/dbraw/zinc/42/18/97/950421897.db2.gz LMJRCKGKNDIVPK-CXAGYDPISA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cccnc1 ZINC001575910660 950424948 /nfs/dbraw/zinc/42/49/48/950424948.db2.gz MQEHHQWEUXEYRV-BEFAXECRSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001576199494 950425070 /nfs/dbraw/zinc/42/50/70/950425070.db2.gz ZTTHKZCIRTYGSE-CABCVRRESA-N 1 0 384.488 1.254 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573861109 950439888 /nfs/dbraw/zinc/43/98/88/950439888.db2.gz UCOCGAKBWFBYLM-HZPDHXFCSA-N 1 0 388.472 1.889 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573861108 950441798 /nfs/dbraw/zinc/44/17/98/950441798.db2.gz UCOCGAKBWFBYLM-CVEARBPZSA-N 1 0 388.472 1.889 20 0 GDADRO CC(C)CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCC1 ZINC001574165304 950446979 /nfs/dbraw/zinc/44/69/79/950446979.db2.gz CRDMTDODDWKHHU-INIZCTEOSA-N 1 0 386.500 1.650 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001575605961 950490324 /nfs/dbraw/zinc/49/03/24/950490324.db2.gz YFZHOGOVOYKZSY-MBOZVWFJSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(CNc2ncccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205279 950506894 /nfs/dbraw/zinc/50/68/94/950506894.db2.gz WGDPOYAWGKGHHH-DJJJIMSYSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576205547 950525769 /nfs/dbraw/zinc/52/57/69/950525769.db2.gz ZZDGXWYKMUJHND-WOSRLPQWSA-N 1 0 387.463 1.606 20 0 GDADRO C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576205716 950533920 /nfs/dbraw/zinc/53/39/20/950533920.db2.gz NKPCRQGMBHGKBN-CYBMUJFWSA-N 1 0 375.452 1.654 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574509823 950534335 /nfs/dbraw/zinc/53/43/35/950534335.db2.gz YNRNPFOSXWPXGA-IIAWOOMASA-N 1 0 392.467 1.579 20 0 GDADRO CC(C)CCC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001574170524 950542148 /nfs/dbraw/zinc/54/21/48/950542148.db2.gz ISJYSJMDNLKXCI-UHFFFAOYSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)on1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574998891 950562426 /nfs/dbraw/zinc/56/24/26/950562426.db2.gz CDABPNKUBYITNR-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576206130 950562487 /nfs/dbraw/zinc/56/24/87/950562487.db2.gz UZWGAVZXLZJBRQ-CJNGLKHVSA-N 1 0 389.479 1.900 20 0 GDADRO CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575615553 950567892 /nfs/dbraw/zinc/56/78/92/950567892.db2.gz AMTBYIDWGMJVMZ-LLVKDONJSA-N 1 0 392.529 1.567 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCc1c(F)cccc1F ZINC001574754744 950582447 /nfs/dbraw/zinc/58/24/47/950582447.db2.gz PGTFRKMCRGRWLP-NSHDSACASA-N 1 0 389.410 1.766 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cccc(F)c1F ZINC001574756271 950605405 /nfs/dbraw/zinc/60/54/05/950605405.db2.gz YBZSWSYXLGJUFP-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C)n1ccnc1 ZINC001574513487 950607660 /nfs/dbraw/zinc/60/76/60/950607660.db2.gz QSBCASIMTPEFMN-RKVPGOIHSA-N 1 0 394.483 1.794 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)no1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575000828 950616438 /nfs/dbraw/zinc/61/64/38/950616438.db2.gz GMHWBJKUHPPPKN-QMMMGPOBSA-N 1 0 379.783 1.555 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001573871738 950624774 /nfs/dbraw/zinc/62/47/74/950624774.db2.gz UYXUWDRQMJNOFB-OSYLJGHBSA-N 1 0 384.484 1.476 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cccc2cnccc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574760155 950655080 /nfs/dbraw/zinc/65/50/80/950655080.db2.gz UKJMEECXEDYUGG-ZDUSSCGKSA-N 1 0 388.435 1.804 20 0 GDADRO CC1(C)CC(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001575624678 950670781 /nfs/dbraw/zinc/67/07/81/950670781.db2.gz LVPOPWYGKKUHQC-INIZCTEOSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H]1CN(C(=O)C(F)F)C[C@@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)O1 ZINC001576215371 950696638 /nfs/dbraw/zinc/69/66/38/950696638.db2.gz ARKDTVGWFPYJAW-SGTLLEGYSA-N 1 0 392.410 1.324 20 0 GDADRO CC(C)CCC(=O)NCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001574180293 950721052 /nfs/dbraw/zinc/72/10/52/950721052.db2.gz QVIILBHBMVFAGI-UHFFFAOYSA-N 1 0 386.504 1.690 20 0 GDADRO CC1(C)CC(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575629596 950742366 /nfs/dbraw/zinc/74/23/66/950742366.db2.gz QOQLRPZLDDWOQJ-CYBMUJFWSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncc1 ZINC001575927761 950755833 /nfs/dbraw/zinc/75/58/33/950755833.db2.gz UBENQMPKKWEMPN-BBRMVZONSA-N 1 0 378.440 1.113 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1CCOCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574521468 950780384 /nfs/dbraw/zinc/78/03/84/950780384.db2.gz GHDKVISDHJKAFR-OLZOCXBDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CC1OCCCO1 ZINC001574521778 950785296 /nfs/dbraw/zinc/78/52/96/950785296.db2.gz HQCRYTAFICEFAY-UONOGXRCSA-N 1 0 388.472 1.393 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCc1cn[nH]c1 ZINC001574522824 950799228 /nfs/dbraw/zinc/79/92/28/950799228.db2.gz LDOUTFVPUVYKCO-ZIAGYGMSSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@@H](C[N@H+](C)C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574765959 950802098 /nfs/dbraw/zinc/80/20/98/950802098.db2.gz GWIDHLGTQCBRRN-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=COCCO1 ZINC001574523190 950806965 /nfs/dbraw/zinc/80/69/65/950806965.db2.gz MQJSRHPWYWXYCX-QWRGUYRKSA-N 1 0 378.458 1.189 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1=CCOCC1 ZINC001574523874 950835482 /nfs/dbraw/zinc/83/54/82/950835482.db2.gz RQAYVQNLLCBTDT-QWHCGFSZSA-N 1 0 388.447 1.725 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(C)F)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576220592 950835838 /nfs/dbraw/zinc/83/58/38/950835838.db2.gz RPRIEZCSURRABA-WCQYABFASA-N 1 0 378.427 1.938 20 0 GDADRO C[C@H](CN(C)C(=O)c1csnn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574767285 950842429 /nfs/dbraw/zinc/84/24/29/950842429.db2.gz PLMJKNVFFRLRIE-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1=CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574524452 950856771 /nfs/dbraw/zinc/85/67/71/950856771.db2.gz WNKIHUAHNAWTPI-NEPJUHHUSA-N 1 0 376.486 1.648 20 0 GDADRO C[C@H]1CN(C(=O)C(F)F)CC[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576221659 950860712 /nfs/dbraw/zinc/86/07/12/950860712.db2.gz VWKQVKZJAXOMJZ-JQWIXIFHSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccnnc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574527736 950904145 /nfs/dbraw/zinc/90/41/45/950904145.db2.gz GPYXKESDLADMFO-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO CC(C)(C)n1cc(C[NH2+]C2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)cn1 ZINC001573893887 950911218 /nfs/dbraw/zinc/91/12/18/950911218.db2.gz AJLHHFCLQDMISF-UHFFFAOYSA-N 1 0 383.460 1.199 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ncccc1O)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574527993 950919585 /nfs/dbraw/zinc/91/95/85/950919585.db2.gz JNFPVKQZSYWPFB-MNOVXSKESA-N 1 0 387.469 1.716 20 0 GDADRO CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001573894155 950923105 /nfs/dbraw/zinc/92/31/05/950923105.db2.gz OAKZYBHJMBQXRM-BETUJISGSA-N 1 0 381.444 1.008 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnccn1 ZINC001574528319 950932281 /nfs/dbraw/zinc/93/22/81/950932281.db2.gz MHDAOOZZGZPVAK-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnns1 ZINC001574528880 950940328 /nfs/dbraw/zinc/94/03/28/950940328.db2.gz ONRINXLLWGJJBK-NXEZZACHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCc1c(F)cccc1Cl ZINC001575016916 950965129 /nfs/dbraw/zinc/96/51/29/950965129.db2.gz CMTAMFGBMDPASN-SNVBAGLBSA-N 1 0 391.838 1.938 20 0 GDADRO CC(C)(CC(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1)c1ccccc1 ZINC001573899534 950977819 /nfs/dbraw/zinc/97/78/19/950977819.db2.gz CMVWNFVKILHNEH-UHFFFAOYSA-N 1 0 379.468 1.970 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575644791 950997327 /nfs/dbraw/zinc/99/73/27/950997327.db2.gz XSBZQVGAUNFQNJ-OXQOHEQNSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1CC(F)(F)C1 ZINC001574774050 951004176 /nfs/dbraw/zinc/00/41/76/951004176.db2.gz BQVLONDEYROOGA-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1COCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575027045 951152058 /nfs/dbraw/zinc/15/20/58/951152058.db2.gz CRCBBGYHFPRTHL-CQSZACIVSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@@H](CNC(=O)c1ccccc1O)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575027048 951153225 /nfs/dbraw/zinc/15/32/25/951153225.db2.gz CRLRXXFCFQKHDI-LBPRGKRZSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@H](CNC(=O)c1ccccc1O)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575027046 951153328 /nfs/dbraw/zinc/15/33/28/951153328.db2.gz CRLRXXFCFQKHDI-GFCCVEGCSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCC2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575043287 951386306 /nfs/dbraw/zinc/38/63/06/951386306.db2.gz HUIVLXBROTYFTA-LLVKDONJSA-N 1 0 384.419 1.057 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575043784 951403107 /nfs/dbraw/zinc/40/31/07/951403107.db2.gz VGRSRKSAFAHLJT-JTQLQIEISA-N 1 0 386.485 1.447 20 0 GDADRO CC(C)Oc1cncc(C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001575045722 951430592 /nfs/dbraw/zinc/43/05/92/951430592.db2.gz GDBXCGZXOSYXPU-GFCCVEGCSA-N 1 0 382.428 1.096 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575045818 951432829 /nfs/dbraw/zinc/43/28/29/951432829.db2.gz INBXKILQVFBTDM-NSHDSACASA-N 1 0 384.419 1.057 20 0 GDADRO C[C@@H](CNC(=O)c1cncnc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575046804 951448235 /nfs/dbraw/zinc/44/82/35/951448235.db2.gz SVFCNSDMWCZPNY-LBPRGKRZSA-N 1 0 378.440 1.442 20 0 GDADRO CC(C)n1ncc(C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)c1Cl ZINC001575052410 951463913 /nfs/dbraw/zinc/46/39/13/951463913.db2.gz ISFBWSNMZMUFTK-SNVBAGLBSA-N 1 0 389.851 1.345 20 0 GDADRO C[C@@H](CNC(=O)c1cnoc1C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575055423 951505283 /nfs/dbraw/zinc/50/52/83/951505283.db2.gz TUYUZUUZESATHK-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CC2CC2)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575055491 951507224 /nfs/dbraw/zinc/50/72/24/951507224.db2.gz VQWWMDHMNOAJPO-LLVKDONJSA-N 1 0 386.485 1.443 20 0 GDADRO C[C@@H](CNC(=O)c1csc(=O)[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575057736 951529397 /nfs/dbraw/zinc/52/93/97/951529397.db2.gz PVXXBOLJJSJSKM-QMMMGPOBSA-N 1 0 379.471 1.341 20 0 GDADRO C[C@H](CNC(=O)c1ncc(Cl)s1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575062147 951566482 /nfs/dbraw/zinc/56/64/82/951566482.db2.gz URDLLQITQDBGFO-SSDOTTSWSA-N 1 0 383.890 1.946 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067544 951616188 /nfs/dbraw/zinc/61/61/88/951616188.db2.gz VCBHBAJNPSTEDJ-SECBINFHSA-N 1 0 377.355 1.700 20 0 GDADRO C[C@@H](CNC(=O)c1occ2c1CCOC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067553 951617090 /nfs/dbraw/zinc/61/70/90/951617090.db2.gz VFIJYZAEGCDGBN-LBPRGKRZSA-N 1 0 382.424 1.441 20 0 GDADRO C[C@@H](CNC(=O)c1nn(C)cc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575067733 951620705 /nfs/dbraw/zinc/62/07/05/951620705.db2.gz XFYOXYFICGMBQJ-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077644 951672892 /nfs/dbraw/zinc/67/28/92/951672892.db2.gz HONMHICCYILLTJ-UONOGXRCSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCOCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078150 951677321 /nfs/dbraw/zinc/67/73/21/951677321.db2.gz JJNHBLTZNYGMEJ-KBPBESRZSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575080681 951712083 /nfs/dbraw/zinc/71/20/83/951712083.db2.gz MQKPJRWPXBSCIQ-LPHOPBHVSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](CNC(=O)CCn1cccc1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080760 951714153 /nfs/dbraw/zinc/71/41/53/951714153.db2.gz RCQBAODBAHOFSE-CQSZACIVSA-N 1 0 385.447 1.740 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C1CC(F)(F)C1 ZINC001575081188 951719869 /nfs/dbraw/zinc/71/98/69/951719869.db2.gz PLTPTQMFBSCGAC-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CNC(=O)c1cnsn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082704 951736583 /nfs/dbraw/zinc/73/65/83/951736583.db2.gz YEECCTDGIWLAHZ-VIFPVBQESA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088508 951740028 /nfs/dbraw/zinc/74/00/28/951740028.db2.gz AKAXXEWZSDSUIC-PBHICJAKSA-N 1 0 384.484 1.525 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575088839 951742774 /nfs/dbraw/zinc/74/27/74/951742774.db2.gz BWESCBMUZLQYHV-RBUKOAKNSA-N 1 0 388.447 1.370 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C1(C)CCOCC1 ZINC001575088961 951743899 /nfs/dbraw/zinc/74/38/99/951743899.db2.gz DLCBUDSWLFTULX-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCc1ccon1 ZINC001575089504 951750638 /nfs/dbraw/zinc/75/06/38/951750638.db2.gz GGUWMVSWVPLCRR-LBPRGKRZSA-N 1 0 387.419 1.563 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575089743 951753293 /nfs/dbraw/zinc/75/32/93/951753293.db2.gz IIRYAHDTNMDTKX-BUXKBTBVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cncc(F)c1 ZINC001575090688 951763190 /nfs/dbraw/zinc/76/31/90/951763190.db2.gz NGYHGTVIFPGBJE-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1OCCCO1 ZINC001575091715 951781828 /nfs/dbraw/zinc/78/18/28/951781828.db2.gz WRYVEXSCMSGQNF-GFCCVEGCSA-N 1 0 392.435 1.095 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575091734 951782173 /nfs/dbraw/zinc/78/21/73/951782173.db2.gz XCRLMWBNJXUEPF-XIKOKIGWSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575092538 951795390 /nfs/dbraw/zinc/79/53/90/951795390.db2.gz DGIDKNHKWMASHB-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1cnccn1 ZINC001575093863 951801718 /nfs/dbraw/zinc/80/17/18/951801718.db2.gz LFEQSHVGRFBVDN-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H](CNC(=O)c1[nH]nc2ccccc21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094234 951802005 /nfs/dbraw/zinc/80/20/05/951802005.db2.gz MBUJPWFXUQMRTL-CYBMUJFWSA-N 1 0 390.451 1.899 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc2[nH]cnc21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096053 951817008 /nfs/dbraw/zinc/81/70/08/951817008.db2.gz YRKABGXNTVMEQY-GFCCVEGCSA-N 1 0 391.439 1.294 20 0 GDADRO C[C@@H](CNC(=O)[C@@]1(C)CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101416 951860484 /nfs/dbraw/zinc/86/04/84/951860484.db2.gz DYWDRUREYNJWHH-XIKOKIGWSA-N 1 0 376.436 1.274 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575103005 951871927 /nfs/dbraw/zinc/87/19/27/951871927.db2.gz QNCVURPYCKLPAR-LBPRGKRZSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@@H](CNC(=O)c1cnsn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102982 951872020 /nfs/dbraw/zinc/87/20/20/951872020.db2.gz PVDDEWJTXVZAQI-SECBINFHSA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104838 951887651 /nfs/dbraw/zinc/88/76/51/951887651.db2.gz FDDBRDLMOUUQTO-CQSZACIVSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@@H](CNC(=O)CCC1CCOCC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105214 951891823 /nfs/dbraw/zinc/89/18/23/951891823.db2.gz IAXHHNGXQPWILE-OAHLLOKOSA-N 1 0 386.500 1.915 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001575105378 951892428 /nfs/dbraw/zinc/89/24/28/951892428.db2.gz IJMJYMGUKUEHBM-IBGZPJMESA-N 1 0 381.440 1.472 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1ccncc1)C1CC1 ZINC001575105606 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DBYKIDFRFXQDLF-OAHLLOKOSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575107647 951921530 /nfs/dbraw/zinc/92/15/30/951921530.db2.gz HAYPVJHVYKEVRI-LBPRGKRZSA-N 1 0 388.863 1.353 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnc(C2CC2)o1 ZINC001575108761 951926449 /nfs/dbraw/zinc/92/64/49/951926449.db2.gz NGTBNZLCEKNOBP-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)o1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109225 951928599 /nfs/dbraw/zinc/92/85/99/951928599.db2.gz PSOWGGPFRYBDHM-LBPRGKRZSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@H](CNC(=O)c1ncc(F)cc1F)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110377 951939039 /nfs/dbraw/zinc/93/90/39/951939039.db2.gz ZVBLDEPAWIPYFM-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncnc1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113708 951942846 /nfs/dbraw/zinc/94/28/46/951942846.db2.gz DIXOHFDGLPNLPD-CQSZACIVSA-N 1 0 380.456 1.131 20 0 GDADRO 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Cc1nnccc1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571142476 952642068 /nfs/dbraw/zinc/64/20/68/952642068.db2.gz QUIZEUJISNEZHP-HNNXBMFYSA-N 1 0 378.440 1.217 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1c[nH]nc1C1CC1 ZINC001571142516 952643196 /nfs/dbraw/zinc/64/31/96/952643196.db2.gz SWHWXPZMVRNBPZ-AWEZNQCLSA-N 1 0 378.440 1.472 20 0 GDADRO O=C(c1ccc(=O)[nH]c1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571147580 952662857 /nfs/dbraw/zinc/66/28/57/952662857.db2.gz OJCURGIHBPGGAI-HNNXBMFYSA-N 1 0 379.424 1.362 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cccc(=O)[nH]1 ZINC001571147992 952664603 /nfs/dbraw/zinc/66/46/03/952664603.db2.gz SLLZKPQPPAPDDT-CQSZACIVSA-N 1 0 379.424 1.362 20 0 GDADRO Cc1ccn(C)c1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571150445 952668280 /nfs/dbraw/zinc/66/82/80/952668280.db2.gz ARMNNSIATQSKKU-FQEVSTJZSA-N 1 0 379.468 1.908 20 0 GDADRO Cc1cc(N(C)[C@@H]2CCCN(C(=O)c3cnccn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571158085 952709785 /nfs/dbraw/zinc/70/97/85/952709785.db2.gz QRSFQKNXDHUCQN-CYBMUJFWSA-N 1 0 379.428 1.101 20 0 GDADRO Cc1cnc(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001571158136 952710334 /nfs/dbraw/zinc/71/03/34/952710334.db2.gz RXSAFQGVPPDMMU-ZDUSSCGKSA-N 1 0 379.428 1.019 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CC1(F)F ZINC001571165276 952749973 /nfs/dbraw/zinc/74/99/73/952749973.db2.gz ASTYXALTTVFZEC-QTKMDUPCSA-N 1 0 380.424 1.805 20 0 GDADRO CCc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571165549 952752093 /nfs/dbraw/zinc/75/20/93/952752093.db2.gz DKZGSAPLCGVTCD-CYBMUJFWSA-N 1 0 380.456 1.941 20 0 GDADRO C[C@H]([NH2+]Cc1ccccn1)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571167153 952770290 /nfs/dbraw/zinc/77/02/90/952770290.db2.gz WPOCUEJQFQCKRK-GUYCJALGSA-N 1 0 380.456 1.763 20 0 GDADRO CC1(C)C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)Cn1ccnc1 ZINC001571167179 952770999 /nfs/dbraw/zinc/77/09/99/952770999.db2.gz XMGGWXPTRZKAAP-MRXNPFEDSA-N 1 0 380.456 1.090 20 0 GDADRO CCc1[nH]ccc1C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571167213 952771643 /nfs/dbraw/zinc/77/16/43/952771643.db2.gz YJRJKSVMQVDPSA-CYBMUJFWSA-N 1 0 380.456 1.799 20 0 GDADRO Cc1c[nH]c(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)n1 ZINC001571169494 952774541 /nfs/dbraw/zinc/77/45/41/952774541.db2.gz FBPCANYHRADTIL-BBRMVZONSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571169664 952777624 /nfs/dbraw/zinc/77/76/24/952777624.db2.gz JYHHFJFMURZFFP-INIZCTEOSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1cnn(CC(=O)N2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC001571169762 952778231 /nfs/dbraw/zinc/77/82/31/952778231.db2.gz MGIOCJVWPZRXLQ-UHFFFAOYSA-N 1 0 380.456 1.106 20 0 GDADRO Cc1cc(NC[C@@H]2CN(C(=O)Cc3ccc[nH]3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169838 952779109 /nfs/dbraw/zinc/77/91/09/952779109.db2.gz PBHQAFCBPWBBIY-GXTWGEPZSA-N 1 0 380.456 1.069 20 0 GDADRO Cc1ccnn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170076 952782973 /nfs/dbraw/zinc/78/29/73/952782973.db2.gz SCVZYAZPYHKVOO-SUMWQHHRSA-N 1 0 380.456 1.008 20 0 GDADRO CCn1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571170056 952783276 /nfs/dbraw/zinc/78/32/76/952783276.db2.gz RMVMCUBLAUTXJK-OTVXOJSOSA-N 1 0 380.456 1.381 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCN1C(=O)Cn1cccn1 ZINC001571170853 952789472 /nfs/dbraw/zinc/78/94/72/952789472.db2.gz XUJPWJYJOSFIKO-KRWDZBQOSA-N 1 0 380.456 1.186 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571171954 952799441 /nfs/dbraw/zinc/79/94/41/952799441.db2.gz JWIRKDXYKRTFTD-GOEBONIOSA-N 1 0 380.456 1.289 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(c2cc(Br)ccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571172091 952801658 /nfs/dbraw/zinc/80/16/58/952801658.db2.gz MBCDLORWTFXFQK-GHMZBOCLSA-N 1 0 381.278 1.521 20 0 GDADRO CS[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571172552 952808142 /nfs/dbraw/zinc/80/81/42/952808142.db2.gz XBLINWRFQBXCTR-NWDGAFQWSA-N 1 0 380.543 1.960 20 0 GDADRO C[C@]1(NC(=O)c2cncc(F)c2)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571178300 952838518 /nfs/dbraw/zinc/83/85/18/952838518.db2.gz FPDPILREHIYUHL-IBGZPJMESA-N 1 0 381.415 1.795 20 0 GDADRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1NC(=O)c1ccccn1 ZINC001571178644 952844897 /nfs/dbraw/zinc/84/48/97/952844897.db2.gz POXRKBZESKNGPG-SJKOYZFVSA-N 1 0 381.415 1.651 20 0 GDADRO Cc1occc1C(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571179506 952852874 /nfs/dbraw/zinc/85/28/74/952852874.db2.gz FJTSZLVFPBAVNH-BXUZGUMPSA-N 1 0 381.440 1.714 20 0 GDADRO Cc1cc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC001571179954 952858101 /nfs/dbraw/zinc/85/81/01/952858101.db2.gz KZFPCRVYXUPXFJ-MRXNPFEDSA-N 1 0 381.440 1.486 20 0 GDADRO Cc1nocc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571180462 952860223 /nfs/dbraw/zinc/86/02/23/952860223.db2.gz OUIQJIABSRIWGN-MLGOLLRUSA-N 1 0 381.440 1.946 20 0 GDADRO Cc1cc(N[C@@H]2CCC[C@H](NC(=O)Cc3ccoc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180572 952860430 /nfs/dbraw/zinc/86/04/30/952860430.db2.gz QTQTXOCUHMKBST-CABCVRRESA-N 1 0 381.440 1.667 20 0 GDADRO O=C(Cc1cnoc1)N1CCC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571181023 952863116 /nfs/dbraw/zinc/86/31/16/952863116.db2.gz TVYGHQBTSDQTFJ-UHFFFAOYSA-N 1 0 381.440 1.426 20 0 GDADRO COc1ccc(C[NH+]2CC([C@@H](C)NC(=O)c3ccc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571182705 952866971 /nfs/dbraw/zinc/86/69/71/952866971.db2.gz CERBNZYPRDGISF-GFCCVEGCSA-N 1 0 381.440 1.454 20 0 GDADRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)c3ccc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571182775 952868729 /nfs/dbraw/zinc/86/87/29/952868729.db2.gz FMPCRNNNCHTNNY-UHFFFAOYSA-N 1 0 381.440 1.596 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC001571182727 952868943 /nfs/dbraw/zinc/86/89/43/952868943.db2.gz CUKLPQQRWBUWPG-SUMWQHHRSA-N 1 0 381.415 1.680 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cc1 ZINC001571182918 952870848 /nfs/dbraw/zinc/87/08/48/952870848.db2.gz JNKDUXQBMLVFCG-CQSZACIVSA-N 1 0 381.440 1.598 20 0 GDADRO CC1(C)C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)Cc1cnoc1 ZINC001571182912 952871068 /nfs/dbraw/zinc/87/10/68/952871068.db2.gz JIQXRMQSGBNEIN-MRXNPFEDSA-N 1 0 381.440 1.424 20 0 GDADRO C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccoc1 ZINC001571182970 952871563 /nfs/dbraw/zinc/87/15/63/952871563.db2.gz LAFRZVPKCWRAPM-UKRRQHHQSA-N 1 0 381.440 1.701 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)c1ccc(F)cn1 ZINC001571183173 952874571 /nfs/dbraw/zinc/87/45/71/952874571.db2.gz RKBSLNSJMUTTGK-UHFFFAOYSA-N 1 0 381.415 1.795 20 0 GDADRO CCc1cc(C(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)no1 ZINC001571183244 952875298 /nfs/dbraw/zinc/87/52/98/952875298.db2.gz UETOWBVIDUWYKR-WFASDCNBSA-N 1 0 381.440 1.810 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC001571183288 952876557 /nfs/dbraw/zinc/87/65/57/952876557.db2.gz VQVANFXXLKKMDE-ISTRZQFTSA-N 1 0 381.440 1.121 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001571183667 952881115 /nfs/dbraw/zinc/88/11/15/952881115.db2.gz HCCQSVGFADNQST-SWLSCSKDSA-N 1 0 381.444 1.015 20 0 GDADRO Cc1nn[nH]c1C(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571187748 952909810 /nfs/dbraw/zinc/90/98/10/952909810.db2.gz BMWLKTFTXAYPCA-HUUCEWRRSA-N 1 0 381.444 1.124 20 0 GDADRO Cc1nn[nH]c1C(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571187954 952911317 /nfs/dbraw/zinc/91/13/17/952911317.db2.gz DIZJBLJKWCAIAN-GJZGRUSLSA-N 1 0 381.444 1.124 20 0 GDADRO Cc1ncc(C(=O)NC[C@@H]2CCCN2c2cc(C)[nH+]cc2-c2nn[nH]n2)n1C ZINC001571188851 952920502 /nfs/dbraw/zinc/92/05/02/952920502.db2.gz OCRXMJWUQYMURQ-ZDUSSCGKSA-N 1 0 381.444 1.011 20 0 GDADRO Cc1cc(C(=O)NC2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)n(C)n1 ZINC001571189598 952932572 /nfs/dbraw/zinc/93/25/72/952932572.db2.gz XZVDTSDWOWKIMS-UHFFFAOYSA-N 1 0 381.444 1.011 20 0 GDADRO C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571190791 952944102 /nfs/dbraw/zinc/94/41/02/952944102.db2.gz LZHPLZSKZVTRFJ-GXNBUGAJSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cncnc1 ZINC001571195624 952977517 /nfs/dbraw/zinc/97/75/17/952977517.db2.gz DBGDPIUASRDJDC-MEDUHNTESA-N 1 0 382.403 1.189 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)ncn1 ZINC001571195722 952979440 /nfs/dbraw/zinc/97/94/40/952979440.db2.gz FIQFNAOPPPGTGQ-ZDUSSCGKSA-N 1 0 382.403 1.109 20 0 GDADRO CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]cc2-c2nn[nH]n2)no1 ZINC001571199432 952998790 /nfs/dbraw/zinc/99/87/90/952998790.db2.gz QQANLJHVGLJTAX-HUUCEWRRSA-N 1 0 382.428 1.387 20 0 GDADRO CCc1ncoc1C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571199443 952999207 /nfs/dbraw/zinc/99/92/07/952999207.db2.gz RGWABNQIHKIGFZ-HAQNSBGRSA-N 1 0 382.428 1.163 20 0 GDADRO COc1ccc(C[NH+]2CC(CNC(=O)c3ccoc3C)C2)cc1-c1nn[nH]n1 ZINC001571199734 953004047 /nfs/dbraw/zinc/00/40/47/953004047.db2.gz AMWKLYRVQDKYAU-UHFFFAOYSA-N 1 0 382.424 1.639 20 0 GDADRO COCc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC001571199985 953006976 /nfs/dbraw/zinc/00/69/76/953006976.db2.gz GESAOAZQZFKKOP-SHTZXODSSA-N 1 0 382.424 1.657 20 0 GDADRO Cc1cnoc1C(=O)N1CCC(CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571201869 953020657 /nfs/dbraw/zinc/02/06/57/953020657.db2.gz OYJFHWPCBZJYIR-UHFFFAOYSA-N 1 0 382.428 1.334 20 0 GDADRO Cc1nocc1C[N@@H+]1CC[C@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@H]12 ZINC001571207059 953058780 /nfs/dbraw/zinc/05/87/80/953058780.db2.gz VMXMIVZQXMCIAI-MAUKXSAKSA-N 1 0 382.428 1.418 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)c1 ZINC001571229257 953168568 /nfs/dbraw/zinc/16/85/68/953168568.db2.gz BIEKAGWUAHLFSU-AWEZNQCLSA-N 1 0 383.431 1.596 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571229721 953171476 /nfs/dbraw/zinc/17/14/76/953171476.db2.gz KZESMNRRSXJZLF-OAHLLOKOSA-N 1 0 383.431 1.771 20 0 GDADRO O=C(C1CC1)N1CCOC2(CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571232670 953188277 /nfs/dbraw/zinc/18/82/77/953188277.db2.gz IUWLZJQARRAVNE-UHFFFAOYSA-N 1 0 383.456 1.046 20 0 GDADRO O=C(Cc1cncs1)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571234070 953198020 /nfs/dbraw/zinc/19/80/20/953198020.db2.gz MKOAUPVXXAZLQP-UHFFFAOYSA-N 1 0 383.481 1.647 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCN(C(=O)c2ccns2)C1 ZINC001571234114 953198918 /nfs/dbraw/zinc/19/89/18/953198918.db2.gz NHJUHEWEQGHNEM-CQSZACIVSA-N 1 0 383.481 1.917 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)CCc3ccsc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571234413 953202223 /nfs/dbraw/zinc/20/22/23/953202223.db2.gz WVCGPEULUJGEKP-AWEZNQCLSA-N 1 0 383.481 1.699 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1F)C[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001571238878 953233716 /nfs/dbraw/zinc/23/37/16/953233716.db2.gz BPCJPSBHTMCXLZ-LBPRGKRZSA-N 1 0 384.419 1.323 20 0 GDADRO Cc1cc(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)[nH]n1 ZINC001571239047 953235248 /nfs/dbraw/zinc/23/52/48/953235248.db2.gz FKEXNPBUFHCTNH-UHFFFAOYSA-N 1 0 384.419 1.336 20 0 GDADRO Cc1c[nH]c(C(=O)N2CCC[C@H]2C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)n1 ZINC001571239178 953236238 /nfs/dbraw/zinc/23/62/38/953236238.db2.gz HIVZOPCXNWJMRN-AWEZNQCLSA-N 1 0 384.419 1.432 20 0 GDADRO CCn1cnc(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)c1 ZINC001571239164 953236594 /nfs/dbraw/zinc/23/65/94/953236594.db2.gz GYGKYJBCDCGWPD-AWEZNQCLSA-N 1 0 384.419 1.227 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cc[nH]n1 ZINC001571239573 953240317 /nfs/dbraw/zinc/24/03/17/953240317.db2.gz MSKJWVZWAZNODX-WCQYABFASA-N 1 0 384.419 1.512 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571239644 953240991 /nfs/dbraw/zinc/24/09/91/953240991.db2.gz PAPQUQMTAGMQNO-JKSUJKDBSA-N 1 0 384.419 1.512 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2cc(F)c[nH]2)CCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571239872 953243717 /nfs/dbraw/zinc/24/37/17/953243717.db2.gz SUFQFSVNEUMHFP-DZGCQCFKSA-N 1 0 384.419 1.825 20 0 GDADRO CN(C(=O)c1cnn(C)c1)C1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571239928 953244957 /nfs/dbraw/zinc/24/49/57/953244957.db2.gz UZZLZQUQBOUBBG-UHFFFAOYSA-N 1 0 384.419 1.132 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@H]1C ZINC001571240055 953245759 /nfs/dbraw/zinc/24/57/59/953245759.db2.gz YOIGGYDLYVHQBB-ABAIWWIYSA-N 1 0 384.419 1.430 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ncc[nH]1 ZINC001571241576 953248129 /nfs/dbraw/zinc/24/81/29/953248129.db2.gz DTRZAKPOYOHMLL-LBPRGKRZSA-N 1 0 384.419 1.371 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1)c1ccn[nH]1 ZINC001571241688 953248836 /nfs/dbraw/zinc/24/88/36/953248836.db2.gz ILIPYUBUWUUFDC-CQSZACIVSA-N 1 0 384.419 1.513 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1)c1ccn[nH]1 ZINC001571241687 953249090 /nfs/dbraw/zinc/24/90/90/953249090.db2.gz ILIPYUBUWUUFDC-AWEZNQCLSA-N 1 0 384.419 1.513 20 0 GDADRO Cc1cnn(C)c1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571241959 953251400 /nfs/dbraw/zinc/25/14/00/953251400.db2.gz RAMQYOUQZYJIEW-CQSZACIVSA-N 1 0 384.419 1.052 20 0 GDADRO Cn1cnc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)c1 ZINC001571241924 953251645 /nfs/dbraw/zinc/25/16/45/953251645.db2.gz PUXITBLFBFEEJT-SFHVURJKSA-N 1 0 384.419 1.134 20 0 GDADRO Cc1ncc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571242228 953255038 /nfs/dbraw/zinc/25/50/38/953255038.db2.gz XGMLYISEHCMWQR-JOCQHMNTSA-N 1 0 384.419 1.336 20 0 GDADRO CCc1noc(C)c1C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1C ZINC001571242797 953260372 /nfs/dbraw/zinc/26/03/72/953260372.db2.gz ODVFPJOPTMHMGI-QMTHXVAHSA-N 1 0 384.444 1.446 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)cnn1 ZINC001571244751 953266629 /nfs/dbraw/zinc/26/66/29/953266629.db2.gz HJYQDECHIRAMHA-SMDDNHRTSA-N 1 0 384.469 1.419 20 0 GDADRO Cc1csc(CCC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001571245093 953270082 /nfs/dbraw/zinc/27/00/82/953270082.db2.gz NNWHFXKQYKSDPG-GFCCVEGCSA-N 1 0 384.469 1.094 20 0 GDADRO O=C(N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2)c1cn[nH]c1 ZINC001571247626 953284173 /nfs/dbraw/zinc/28/41/73/953284173.db2.gz BFDGQZXRLJCKCK-CQSZACIVSA-N 1 0 384.469 1.436 20 0 GDADRO C[C@@H]1CN(C(=O)COC2CCCC2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571247816 953286534 /nfs/dbraw/zinc/28/65/34/953286534.db2.gz FOCFHNAWSOCHOG-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CO1 ZINC001571248155 953289833 /nfs/dbraw/zinc/28/98/33/953289833.db2.gz MKMVCYZSCUGZLK-GOEBONIOSA-N 1 0 384.484 1.715 20 0 GDADRO CC1(C)CC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571248169 953290944 /nfs/dbraw/zinc/29/09/44/953290944.db2.gz MQRGEHIAHCKZNL-IRXDYDNUSA-N 1 0 384.484 1.354 20 0 GDADRO CC(C)(C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001571248171 953290954 /nfs/dbraw/zinc/29/09/54/953290954.db2.gz MRDLDRDGBVFOPO-KRWDZBQOSA-N 1 0 384.484 1.620 20 0 GDADRO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571248620 953295065 /nfs/dbraw/zinc/29/50/65/953295065.db2.gz HSOHXDYGMSPXBF-CQSZACIVSA-N 1 0 384.444 1.584 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)oc1C ZINC001571248594 953295428 /nfs/dbraw/zinc/29/54/28/953295428.db2.gz HIPUTSHVXNBDTR-GXTWGEPZSA-N 1 0 384.444 1.488 20 0 GDADRO C[C@@](O)(CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001571248768 953296989 /nfs/dbraw/zinc/29/69/89/953296989.db2.gz ZNOQYNCGEVEGRG-FXAWDEMLSA-N 1 0 384.484 1.498 20 0 GDADRO O=C(CC1(O)CCC1)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571249198 953302872 /nfs/dbraw/zinc/30/28/72/953302872.db2.gz FRNIUNJSHCIKCW-MRXNPFEDSA-N 1 0 384.484 1.643 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c(C)o1 ZINC001571249426 953304549 /nfs/dbraw/zinc/30/45/49/953304549.db2.gz POWBGLKEPNAXLF-KBPBESRZSA-N 1 0 384.444 1.630 20 0 GDADRO C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001571250185 953309570 /nfs/dbraw/zinc/30/95/70/953309570.db2.gz NYVIVLBAADYVSH-GOEBONIOSA-N 1 0 384.488 1.252 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571251139 953314370 /nfs/dbraw/zinc/31/43/70/953314370.db2.gz WFBLFZAODNYDEV-SJORKVTESA-N 1 0 384.484 1.622 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](C)C2)c(C)o1 ZINC001571251732 953319317 /nfs/dbraw/zinc/31/93/17/953319317.db2.gz VUKAFAFTJKLDMY-QMTHXVAHSA-N 1 0 384.444 1.583 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)c(C)n2)C1 ZINC001571252073 953322924 /nfs/dbraw/zinc/32/29/24/953322924.db2.gz GOIUAGJUFXTXKE-IIAWOOMASA-N 1 0 384.488 1.504 20 0 GDADRO Cc1cnc(C[NH2+]C2CCC(N(C)C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)o1 ZINC001571252182 953324955 /nfs/dbraw/zinc/32/49/55/953324955.db2.gz XXODJNNKVSOYRL-UHFFFAOYSA-N 1 0 384.444 1.664 20 0 GDADRO CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC001571252397 953327247 /nfs/dbraw/zinc/32/72/47/953327247.db2.gz MAOVHJXZYSOCOJ-HOCLYGCPSA-N 1 0 384.488 1.031 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001571252622 953331079 /nfs/dbraw/zinc/33/10/79/953331079.db2.gz RWXMUHMYVJTCMI-DZGCQCFKSA-N 1 0 384.488 1.300 20 0 GDADRO Cc1cc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)no1 ZINC001571254230 953336794 /nfs/dbraw/zinc/33/67/94/953336794.db2.gz DUZWBWJPTAKLKP-OKILXGFUSA-N 1 0 385.403 1.282 20 0 GDADRO CC(C)C[NH2+][C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1C(F)(F)F ZINC001571255390 953348919 /nfs/dbraw/zinc/34/89/19/953348919.db2.gz OKDOOHCXPAFRSP-AAEUAGOBSA-N 1 0 385.394 1.833 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1F ZINC001571256173 953365098 /nfs/dbraw/zinc/36/50/98/953365098.db2.gz ZVUUICHJPYOKQL-CYBMUJFWSA-N 1 0 385.403 1.347 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)CN1CC[NH+](C)CC1 ZINC001589066482 955750322 /nfs/dbraw/zinc/75/03/22/955750322.db2.gz IBLUYXLKFVJJSM-IAGOWNOFSA-N 1 0 378.517 1.554 20 0 GDADRO C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000874399404 956155873 /nfs/dbraw/zinc/15/58/73/956155873.db2.gz YPVUWMYTHYRVSV-AEFFLSMTSA-N 1 0 388.512 1.745 20 0 GDADRO C[NH+](C)C[C@@H]1CN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C[C@H]1C[NH+](C)C ZINC001337834066 957845563 /nfs/dbraw/zinc/84/55/63/957845563.db2.gz LVOGDCIPHVFZAQ-QZTJIDSGSA-N 1 0 392.544 1.752 20 0 GDADRO C[C@H](CCNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)[NH+](C)C ZINC001592521721 978377012 /nfs/dbraw/zinc/37/70/12/978377012.db2.gz OOCQCFSSRGFPOD-OAHLLOKOSA-N 1 0 377.489 1.355 20 0 GDADRO O=C([O-])/C=C\c1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000911323711 982347992 /nfs/dbraw/zinc/34/79/92/982347992.db2.gz MPPNZEUBBWWLPH-HYXAFXHYSA-N 1 0 384.436 1.715 20 0 GDADRO CN(C(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccccc1C(=O)[O-] ZINC001598022431 990214178 /nfs/dbraw/zinc/21/41/78/990214178.db2.gz FTYYFVQPTNFRDS-MAUKXSAKSA-N 1 0 375.469 1.566 20 0 GDADRO C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001598224315 990906632 /nfs/dbraw/zinc/90/66/32/990906632.db2.gz FDYNIGVHBXZNNH-UHFFFAOYSA-N 1 0 387.477 1.170 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001594237379 998904146 /nfs/dbraw/zinc/90/41/46/998904146.db2.gz XJHXJEXKLPNWID-LSDHHAIUSA-N 1 0 375.473 1.094 20 0 GDADRO C[C@@]1(n2cc(C[NH2+]C3(CO)Cc4ccccc4C3)cn2)CCS(=O)(=O)C1 ZINC000561491291 1126097265 /nfs/dbraw/zinc/09/72/65/1126097265.db2.gz XKSZWOPPZLRULI-GOSISDBHSA-N 1 0 375.494 1.036 20 0 GDADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cccc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001593498022 1126217639 /nfs/dbraw/zinc/21/76/39/1126217639.db2.gz ISALBWCXRWVRCZ-CABCVRRESA-N 1 0 378.358 1.886 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2ncccn2)CC1 ZINC000017116410 210204084 /nfs/dbraw/zinc/20/40/84/210204084.db2.gz LMJIAIBCSKJNKN-UHFFFAOYSA-N 1 0 380.496 1.973 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007612555 530546303 /nfs/dbraw/zinc/54/63/03/530546303.db2.gz JVNOAXBBRWJEPX-UHFFFAOYSA-N 1 0 389.543 1.091 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000158967495 530538093 /nfs/dbraw/zinc/53/80/93/530538093.db2.gz MSKGKCKPZGHFPD-LBPRGKRZSA-N 1 0 382.404 1.710 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000158987947 530538530 /nfs/dbraw/zinc/53/85/30/530538530.db2.gz HNGUKBSOYJAVGV-UHFFFAOYSA-N 1 0 377.304 1.574 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000159108474 530540073 /nfs/dbraw/zinc/54/00/73/530540073.db2.gz PWSOYIOZVRSMAM-ZDUSSCGKSA-N 1 0 386.543 1.118 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1Br ZINC000159333216 530542710 /nfs/dbraw/zinc/54/27/10/530542710.db2.gz OALKEABFIBZDDL-LBPRGKRZSA-N 1 0 390.303 1.167 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCOc2ncc(Cl)cc2Cl)CC1=O ZINC000161667850 530562767 /nfs/dbraw/zinc/56/27/67/530562767.db2.gz YGSXKGCQDDAUGL-NSHDSACASA-N 1 0 389.283 1.294 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Br)c1 ZINC000161703278 530562804 /nfs/dbraw/zinc/56/28/04/530562804.db2.gz YSFAKFHAUXIKIN-CQSZACIVSA-N 1 0 391.331 1.964 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000162133864 530566388 /nfs/dbraw/zinc/56/63/88/530566388.db2.gz JKNNPUHIHNSXAK-BDAKNGLRSA-N 1 0 396.332 1.175 20 0 GDADRO CC(C)(O)[C@@H]1CCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000162564046 530568680 /nfs/dbraw/zinc/56/86/80/530568680.db2.gz ZQVNPECJTFEJSF-AWEZNQCLSA-N 1 0 398.301 1.739 20 0 GDADRO COc1ccc(Br)cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000163068360 530572946 /nfs/dbraw/zinc/57/29/46/530572946.db2.gz WTBMFLWIEROFEE-LBPRGKRZSA-N 1 0 398.301 1.775 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000022912900 530573596 /nfs/dbraw/zinc/57/35/96/530573596.db2.gz BRIBSXXOQFWCRR-UHFFFAOYSA-N 1 0 385.839 1.885 20 0 GDADRO C[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000163132410 530573726 /nfs/dbraw/zinc/57/37/26/530573726.db2.gz WAQIIFFKLGNYOY-KPXOXKRLSA-N 1 0 381.230 1.399 20 0 GDADRO CNC(=O)NC(=O)CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163938223 530578360 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GDADRO CS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000053548500 530693696 /nfs/dbraw/zinc/69/36/96/530693696.db2.gz MPOHMGZHZJLBEH-AWEZNQCLSA-N 1 0 386.543 1.172 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000177028288 530696290 /nfs/dbraw/zinc/69/62/90/530696290.db2.gz BMRBHZRLFHKTBI-LBPRGKRZSA-N 1 0 393.962 1.965 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177141257 530697567 /nfs/dbraw/zinc/69/75/67/530697567.db2.gz QEVFATXUBYLZBM-UHFFFAOYSA-N 1 0 398.349 1.666 20 0 GDADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000177332749 530701041 /nfs/dbraw/zinc/70/10/41/530701041.db2.gz CPCYPGFFVGGOAU-UHFFFAOYSA-N 1 0 395.257 1.308 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)C1 ZINC000177513482 530703999 /nfs/dbraw/zinc/70/39/99/530703999.db2.gz GSYZPMNOABLTRK-TZMCWYRMSA-N 1 0 380.539 1.978 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000177538700 530705487 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CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000178606177 530723777 /nfs/dbraw/zinc/72/37/77/530723777.db2.gz RHWPIPIRVQFVQR-CQSZACIVSA-N 1 0 379.507 1.999 20 0 GDADRO C[C@@H]([NH3+])CCNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000178668035 530725769 /nfs/dbraw/zinc/72/57/69/530725769.db2.gz PVBDSJWQYZLMGN-LLVKDONJSA-N 1 0 377.304 1.857 20 0 GDADRO Cc1c(C(=O)Nc2cc(Br)c[nH]c2=O)nnn1C1CC[NH2+]CC1 ZINC000178727722 530726712 /nfs/dbraw/zinc/72/67/12/530726712.db2.gz KLOCAXCQMPZUGD-UHFFFAOYSA-N 1 0 381.234 1.626 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000178741023 530727741 /nfs/dbraw/zinc/72/77/41/530727741.db2.gz LXXOLJUDNOGKBZ-NSHDSACASA-N 1 0 385.536 1.770 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)CNS(=O)(=O)c2cccs2)cc1 ZINC000058492092 530731924 /nfs/dbraw/zinc/73/19/24/530731924.db2.gz OQBFTWNLLGSWAG-UHFFFAOYSA-N 1 0 383.495 1.606 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000178971795 530732723 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C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000067558617 530776727 /nfs/dbraw/zinc/77/67/27/530776727.db2.gz YZNNJHQUCPLCLJ-SNVBAGLBSA-N 1 0 377.413 1.078 20 0 GDADRO Cc1cc(F)c(S(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1F ZINC000181070552 530777356 /nfs/dbraw/zinc/77/73/56/530777356.db2.gz NSPAYFLPHRFXQF-UHFFFAOYSA-N 1 0 375.485 1.920 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cccnc2Br)C[C@H](C)O1 ZINC000181432024 530783069 /nfs/dbraw/zinc/78/30/69/530783069.db2.gz ISIBLAQPBPHMBE-TXEJJXNPSA-N 1 0 399.289 1.398 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCN(C)S(=O)(=O)CC ZINC000066597681 530764830 /nfs/dbraw/zinc/76/48/30/530764830.db2.gz LFZOQDCNDWFOSU-INIZCTEOSA-N 1 0 376.567 1.612 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(Br)c[nH]2)c1 ZINC000066732074 530766784 /nfs/dbraw/zinc/76/67/84/530766784.db2.gz AWVJPDXKANMDCR-UHFFFAOYSA-N 1 0 393.285 1.999 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069742670 530799154 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CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](O)COCc2cccs2)c1 ZINC000181934584 530793024 /nfs/dbraw/zinc/79/30/24/530793024.db2.gz AQTQVBFUSWJCKR-DZGCQCFKSA-N 1 0 384.523 1.885 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccsc1 ZINC000069062713 530794553 /nfs/dbraw/zinc/79/45/53/530794553.db2.gz YCKHJYHRULXMJU-HNNXBMFYSA-N 1 0 388.559 1.370 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000069144371 530796047 /nfs/dbraw/zinc/79/60/47/530796047.db2.gz PZNYOLDHCTXWNR-STQMWFEESA-N 1 0 378.288 1.356 20 0 GDADRO COc1ccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)nc1Br ZINC000184336397 530827737 /nfs/dbraw/zinc/82/77/37/530827737.db2.gz MBTHTCVEYSLKEI-GFCCVEGCSA-N 1 0 385.306 1.609 20 0 GDADRO CCCS(=O)(=O)NC1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085364583 530808770 /nfs/dbraw/zinc/80/87/70/530808770.db2.gz MHQSTICQOVELJI-CQSZACIVSA-N 1 0 376.567 1.466 20 0 GDADRO OCC[N@H+](CCN1CCOCC1)CC1=Cc2cc(Br)ccc2OC1 ZINC000092186680 530811373 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C[NH+](C)C[C@](C)(O)CNC(=O)c1ncc(Br)cc1Br ZINC000184098879 530824195 /nfs/dbraw/zinc/82/41/95/530824195.db2.gz QADGYTSURZPYTE-GFCCVEGCSA-N 1 0 395.095 1.649 20 0 GDADRO CS(=O)(=O)CCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106558115 530848701 /nfs/dbraw/zinc/84/87/01/530848701.db2.gz CMKBWKCHZCTTCC-UHFFFAOYSA-N 1 0 387.933 1.896 20 0 GDADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000186030164 530850083 /nfs/dbraw/zinc/85/00/83/530850083.db2.gz HAJBJNMCKUFSDW-IRXDYDNUSA-N 1 0 386.539 1.672 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(I)c1 ZINC000107597959 530854608 /nfs/dbraw/zinc/85/46/08/530854608.db2.gz MUNRGPZXWXAATL-JTQLQIEISA-N 1 0 393.294 1.718 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000186310145 530854949 /nfs/dbraw/zinc/85/49/49/530854949.db2.gz DMLNJMSONIPMKE-ZDUSSCGKSA-N 1 0 378.270 1.838 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000186793098 530862723 /nfs/dbraw/zinc/86/27/23/530862723.db2.gz 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ZINC000104679293 530839407 /nfs/dbraw/zinc/83/94/07/530839407.db2.gz FWRKRMNUBVROII-UHFFFAOYSA-N 1 0 387.571 1.400 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000185311667 530839972 /nfs/dbraw/zinc/83/99/72/530839972.db2.gz JJMDYNQUMRVLJE-AWEZNQCLSA-N 1 0 387.933 1.256 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000105730580 530844636 /nfs/dbraw/zinc/84/46/36/530844636.db2.gz QJMKBXHJAOOBKD-UHFFFAOYSA-N 1 0 390.253 1.563 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000115882615 530901819 /nfs/dbraw/zinc/90/18/19/530901819.db2.gz OVAMZLCQZXZOJG-UHFFFAOYSA-N 1 0 398.301 1.693 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c(=O)n(C)c1=O ZINC000188933872 530904331 /nfs/dbraw/zinc/90/43/31/530904331.db2.gz HPIQNKXODIJNJS-ZDUSSCGKSA-N 1 0 383.279 1.759 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000188956777 530904815 /nfs/dbraw/zinc/90/48/15/530904815.db2.gz RVWAHCWZORQTTL-UHFFFAOYSA-N 1 0 396.285 1.845 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccsc1 ZINC000116941369 530910335 /nfs/dbraw/zinc/91/03/35/530910335.db2.gz DKTKGMVCXZEHIF-CABCVRRESA-N 1 0 388.559 1.464 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000187719889 530876284 /nfs/dbraw/zinc/87/62/84/530876284.db2.gz QZMUPFWQRSMWHW-RUZDIDTESA-N 1 0 385.917 1.710 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000112403696 530881370 /nfs/dbraw/zinc/88/13/70/530881370.db2.gz XYJHOXXIKWLUJY-AWEZNQCLSA-N 1 0 384.318 1.970 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000188099440 530885102 /nfs/dbraw/zinc/88/51/02/530885102.db2.gz RIBSAUAMCGZRAA-HNNXBMFYSA-N 1 0 398.301 1.923 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188186788 530887988 /nfs/dbraw/zinc/88/79/88/530887988.db2.gz YZVWUJOZXFKRDB-CYBMUJFWSA-N 1 0 398.301 1.955 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114047201 530892677 /nfs/dbraw/zinc/89/26/77/530892677.db2.gz KMQBQDAAGQXBPT-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CCOCC1 ZINC000114211156 530893351 /nfs/dbraw/zinc/89/33/51/530893351.db2.gz QWIVZSBLBGELFO-UHFFFAOYSA-N 1 0 382.404 1.974 20 0 GDADRO C[NH+]1CCN(CCCCNC(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000114317814 530893987 /nfs/dbraw/zinc/89/39/87/530893987.db2.gz ARUXPQPEIQPPDV-UHFFFAOYSA-N 1 0 382.302 1.776 20 0 GDADRO C[NH+](C)CCCNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000114674976 530896146 /nfs/dbraw/zinc/89/61/46/530896146.db2.gz RBGDSFVRBZOSMO-UHFFFAOYSA-N 1 0 381.523 1.908 20 0 GDADRO CC[N@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000189543518 530915109 /nfs/dbraw/zinc/91/51/09/530915109.db2.gz VLPVKJYTXTXGMJ-CQSZACIVSA-N 1 0 384.420 1.561 20 0 GDADRO COc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(Br)c1 ZINC000118129683 530916515 /nfs/dbraw/zinc/91/65/15/530916515.db2.gz WYZISIFTRYDBDK-SNVBAGLBSA-N 1 0 384.274 1.995 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000118124037 530917009 /nfs/dbraw/zinc/91/70/09/530917009.db2.gz NHPWUBYXKQMUEV-ZDUSSCGKSA-N 1 0 398.301 1.923 20 0 GDADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC000118453797 530917605 /nfs/dbraw/zinc/91/76/05/530917605.db2.gz FHOXVIZKZMYDRC-UHFFFAOYSA-N 1 0 375.441 1.096 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000118577784 530918027 /nfs/dbraw/zinc/91/80/27/530918027.db2.gz MYKQTRPIMCFNCK-BLLLJJGKSA-N 1 0 389.327 1.962 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000189693859 530919519 /nfs/dbraw/zinc/91/95/19/530919519.db2.gz QSLLZLKLUHMHFZ-UHFFFAOYSA-N 1 0 390.296 1.555 20 0 GDADRO CNS(=O)(=O)CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000190302277 530927905 /nfs/dbraw/zinc/92/79/05/530927905.db2.gz UNNAPWGAYKDBLG-UHFFFAOYSA-N 1 0 379.276 1.249 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000192041759 530960103 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GDADRO CN(C)C(=O)CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191455176 530949404 /nfs/dbraw/zinc/94/94/04/530949404.db2.gz GXWQKEXBSMTKNC-UHFFFAOYSA-N 1 0 397.317 1.613 20 0 GDADRO C[C@@H](C(=O)NCCC[NH+](C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000121157783 530951637 /nfs/dbraw/zinc/95/16/37/530951637.db2.gz UBPZCJMOBKRMLV-JTQLQIEISA-N 1 0 382.258 1.502 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000191892514 530956866 /nfs/dbraw/zinc/95/68/66/530956866.db2.gz VIUZPXWOGCOVRH-SMDDNHRTSA-N 1 0 386.279 1.655 20 0 GDADRO O=C(NC[C@H]1CCCN(C(=O)c2coc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000122019232 530965645 /nfs/dbraw/zinc/96/56/45/530965645.db2.gz DPRLTUVMVLILDH-DGCLKSJQSA-N 1 0 384.274 1.763 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)C1 ZINC000191915077 530957401 /nfs/dbraw/zinc/95/74/01/530957401.db2.gz GFQTYNFUUGRTCA-QWHCGFSZSA-N 1 0 380.246 1.404 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000123165737 530980105 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531098089 /nfs/dbraw/zinc/09/80/89/531098089.db2.gz RHAVFJJNSPRTDU-ZDUSSCGKSA-N 1 0 385.839 1.763 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC000262009613 531105036 /nfs/dbraw/zinc/10/50/36/531105036.db2.gz HGTHEOKQKOJLEO-UHFFFAOYSA-N 1 0 386.290 1.962 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)c1 ZINC000261776396 531098356 /nfs/dbraw/zinc/09/83/56/531098356.db2.gz MTEKITNFDMKKDH-AWEZNQCLSA-N 1 0 381.420 1.118 20 0 GDADRO C[C@H](O)CN1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1C ZINC000261797589 531099064 /nfs/dbraw/zinc/09/90/64/531099064.db2.gz QRKZUXZEZCSPMT-IIYDPXPESA-N 1 0 384.318 1.537 20 0 GDADRO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261847795 531100630 /nfs/dbraw/zinc/10/06/30/531100630.db2.gz JDZNKXLGGZMRIS-JTQLQIEISA-N 1 0 382.288 1.801 20 0 GDADRO [NH3+][C@@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)C1CCOCC1 ZINC000261878629 531101594 /nfs/dbraw/zinc/10/15/94/531101594.db2.gz UJKAOTYNQAOEFW-CQSZACIVSA-N 1 0 394.273 1.781 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1CC[NH2+]C[C@@H]1C ZINC000261913090 531102218 /nfs/dbraw/zinc/10/22/18/531102218.db2.gz YOZDTISJVPIBGF-ZDUSSCGKSA-N 1 0 397.317 1.448 20 0 GDADRO C[C@H](CNC(=O)[C@H]1COc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000134657510 531102276 /nfs/dbraw/zinc/10/22/76/531102276.db2.gz KXBWDRVRYDSYIE-DOMZBBRYSA-N 1 0 382.302 1.677 20 0 GDADRO [NH3+][C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)C1CC1 ZINC000261901471 531102454 /nfs/dbraw/zinc/10/24/54/531102454.db2.gz DYXCWOWHHRTLSK-CABCVRRESA-N 1 0 380.286 1.907 20 0 GDADRO O=C(COc1ccc(Br)cc1)N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261928372 531102895 /nfs/dbraw/zinc/10/28/95/531102895.db2.gz LFNIDIARMIFCTB-HNNXBMFYSA-N 1 0 396.329 1.972 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000262037773 531105597 /nfs/dbraw/zinc/10/55/97/531105597.db2.gz PXMJJGWHVSUCMQ-SJKOYZFVSA-N 1 0 380.286 1.999 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]C)CC2)cc1F ZINC000262124258 531108673 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CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000262303680 531115365 /nfs/dbraw/zinc/11/53/65/531115365.db2.gz OEKOILUDASIXCP-MRXNPFEDSA-N 1 0 389.543 1.077 20 0 GDADRO O=C(C[C@H]1COCC[NH2+]1)Nc1cc(F)c(I)c(F)c1 ZINC000262288537 531115614 /nfs/dbraw/zinc/11/56/14/531115614.db2.gz YEQWSGOHFRHCOX-QMMMGPOBSA-N 1 0 382.148 1.886 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262323046 531116887 /nfs/dbraw/zinc/11/68/87/531116887.db2.gz QOEYZWGRJVQKCF-ZFWWWQNUSA-N 1 0 382.302 1.723 20 0 GDADRO COC[C@H]([NH3+])C(=O)NCCSCCOc1cccc(Br)c1 ZINC000262336321 531117286 /nfs/dbraw/zinc/11/72/86/531117286.db2.gz SFGUTEDSKGDGBY-ZDUSSCGKSA-N 1 0 377.304 1.651 20 0 GDADRO C[C@H](CNC(=O)NCc1ccc(O)c(Br)c1)C[NH+]1CCN(C)CC1 ZINC000151562428 531139844 /nfs/dbraw/zinc/13/98/44/531139844.db2.gz DTQMAQMZXDPUQL-CYBMUJFWSA-N 1 0 399.333 1.837 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000138894769 531119594 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O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NCC[C@@H]1CC[NH2+]C1 ZINC000262573244 531124507 /nfs/dbraw/zinc/12/45/07/531124507.db2.gz HZKURPXBQWPABO-AWEZNQCLSA-N 1 0 385.555 1.581 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)C1 ZINC000262600956 531124805 /nfs/dbraw/zinc/12/48/05/531124805.db2.gz XJGDFIJAMLLNSA-VXGBXAGGSA-N 1 0 396.285 1.760 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CCC[C@H]3C[NH3+])C2)s1 ZINC000262632420 531125846 /nfs/dbraw/zinc/12/58/46/531125846.db2.gz OFSRIXLNQMGWEF-KKUMJFAQSA-N 1 0 385.555 1.701 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000262697254 531126806 /nfs/dbraw/zinc/12/68/06/531126806.db2.gz ABXCXEXJNPCXFO-GWCFXTLKSA-N 1 0 379.404 1.098 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000262742615 531128022 /nfs/dbraw/zinc/12/80/22/531128022.db2.gz JZCYSDDQTSIJDC-MNOVXSKESA-N 1 0 375.288 1.973 20 0 GDADRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000262738292 531128436 /nfs/dbraw/zinc/12/84/36/531128436.db2.gz HRSASFWQRUYIMA-AWEZNQCLSA-N 1 0 381.495 1.239 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000262738280 531128463 /nfs/dbraw/zinc/12/84/63/531128463.db2.gz HQBHBWUKJZELMZ-OAHLLOKOSA-N 1 0 375.516 1.244 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)cc1Br ZINC000262748506 531128846 /nfs/dbraw/zinc/12/88/46/531128846.db2.gz MKEZDMKVSBJSPO-JTQLQIEISA-N 1 0 393.303 1.744 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000262752896 531129147 /nfs/dbraw/zinc/12/91/47/531129147.db2.gz GXSHOXZYSZKFCF-GXTWGEPZSA-N 1 0 387.571 1.729 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000262773804 531129944 /nfs/dbraw/zinc/12/99/44/531129944.db2.gz WSDHKBSLAOCTDO-INIZCTEOSA-N 1 0 389.543 1.123 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c(Br)c1 ZINC000262773949 531130129 /nfs/dbraw/zinc/13/01/29/531130129.db2.gz MWYGRMSAFOXJIN-VHSXEESVSA-N 1 0 391.287 1.607 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000262791818 531130620 /nfs/dbraw/zinc/13/06/20/531130620.db2.gz NAJAECCMXNGXTA-NEPJUHHUSA-N 1 0 389.568 1.213 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1F ZINC000262792631 531130969 /nfs/dbraw/zinc/13/09/69/531130969.db2.gz SAUMAJBNEVVFDH-BXUZGUMPSA-N 1 0 393.506 1.396 20 0 GDADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000262800089 531131218 /nfs/dbraw/zinc/13/12/18/531131218.db2.gz OXICMPJLENZABN-MRXNPFEDSA-N 1 0 385.555 1.226 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000151063539 531132948 /nfs/dbraw/zinc/13/29/48/531132948.db2.gz MIXBYGFECCDCFP-CQSZACIVSA-N 1 0 396.285 1.533 20 0 GDADRO CO[C@H](C[NH3+])CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000262874105 531133253 /nfs/dbraw/zinc/13/32/53/531133253.db2.gz MPHRECQKRYKBLO-NSHDSACASA-N 1 0 376.320 1.519 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000152242753 531148452 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CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc(Cl)cc(COC)c3)[C@H]2C1 ZINC000292856333 531384012 /nfs/dbraw/zinc/38/40/12/531384012.db2.gz RBAJFNCJEDKABS-DLBZAZTESA-N 1 0 388.917 1.970 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@H]2C2CC2)cc[nH+]1 ZINC000349604047 531385397 /nfs/dbraw/zinc/38/53/97/531385397.db2.gz DFWPIHJJYHPJLN-INIZCTEOSA-N 1 0 387.527 1.148 20 0 GDADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(C)C ZINC000443200644 531387884 /nfs/dbraw/zinc/38/78/84/531387884.db2.gz RQPMIRYGDSFPGC-UHFFFAOYSA-N 1 0 392.319 1.557 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CC[NH+](C)C ZINC000267028076 531389457 /nfs/dbraw/zinc/38/94/57/531389457.db2.gz ARGIBXWOWPKREZ-CQSZACIVSA-N 1 0 391.534 1.246 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(I)cnn1C ZINC000292936272 531390152 /nfs/dbraw/zinc/39/01/52/531390152.db2.gz XJZBXQGMWNMYMT-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO O=S1(=O)CC[C@@H](NC[C@H]2COCC[NH2+]2)c2cc(Br)ccc21 ZINC000530220418 531390982 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CSc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000480882578 531381409 /nfs/dbraw/zinc/38/14/09/531381409.db2.gz YBBFRUYURQVYHV-MRXNPFEDSA-N 1 0 383.539 1.336 20 0 GDADRO CN(Cc1cnc(NC(=O)OC(C)(C)C)s1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292827489 531381532 /nfs/dbraw/zinc/38/15/32/531381532.db2.gz QRKGSDBTAMRUSM-LLVKDONJSA-N 1 0 390.531 1.956 20 0 GDADRO C[NH+](C)CCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000293052663 531397933 /nfs/dbraw/zinc/39/79/33/531397933.db2.gz QSNSTGDJQXPKGB-CYBMUJFWSA-N 1 0 376.906 1.985 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCSC1 ZINC000267123791 531399419 /nfs/dbraw/zinc/39/94/19/531399419.db2.gz QEVFPPVUEHBBHB-INIZCTEOSA-N 1 0 389.518 1.048 20 0 GDADRO CC(C)NS(=O)(=O)c1cccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000267137347 531402064 /nfs/dbraw/zinc/40/20/64/531402064.db2.gz SYGREYHSHCDOHN-KRWDZBQOSA-N 1 0 385.555 1.540 20 0 GDADRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000267141793 531402914 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CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)CC(C)C ZINC000531837028 531416615 /nfs/dbraw/zinc/41/66/15/531416615.db2.gz QWBTYECYAVWMLV-CQSZACIVSA-N 1 0 391.559 1.369 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2c[nH]nc2-c2nccs2)CCSC1 ZINC000446672286 531410889 /nfs/dbraw/zinc/41/08/89/531410889.db2.gz NYUOVBPDQWYHAO-HNNXBMFYSA-N 1 0 380.499 1.025 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnn(C)c1I ZINC000293266226 531410988 /nfs/dbraw/zinc/41/09/88/531410988.db2.gz TZDQZCBQSSWWEA-MWLCHTKSSA-N 1 0 376.242 1.437 20 0 GDADRO C[NH+]1CCN(CCNc2ncc(Cn3cc(Br)cn3)s2)CC1 ZINC000279085504 531412617 /nfs/dbraw/zinc/41/26/17/531412617.db2.gz VRTYRNOGELQVNN-UHFFFAOYSA-N 1 0 385.335 1.810 20 0 GDADRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000483734440 531414367 /nfs/dbraw/zinc/41/43/67/531414367.db2.gz XDCKEHMQOGUORD-GXTWGEPZSA-N 1 0 375.878 1.473 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000447243873 531422390 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GDADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)C[C@@H]2CCOC2)ccc1Cl ZINC000267471531 531428093 /nfs/dbraw/zinc/42/80/93/531428093.db2.gz XXNKCQHVLLJTAE-LBPRGKRZSA-N 1 0 389.905 1.497 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000414009082 531427280 /nfs/dbraw/zinc/42/72/80/531427280.db2.gz RVBQTIRWFIQOHA-AWEZNQCLSA-N 1 0 382.302 1.784 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Cl ZINC000293570471 531428639 /nfs/dbraw/zinc/42/86/39/531428639.db2.gz XYWIPDRUPSMAMX-OCCSQVGLSA-N 1 0 387.889 1.346 20 0 GDADRO CCc1n[nH]c(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1Br ZINC000279383872 531429690 /nfs/dbraw/zinc/42/96/90/531429690.db2.gz GODUWCOTGUKMGI-GFCCVEGCSA-N 1 0 398.305 1.113 20 0 GDADRO C[C@@H]1C[NH+](CCCCNC(=O)CNS(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000267550669 531435094 /nfs/dbraw/zinc/43/50/94/531435094.db2.gz CTSGIPXIEPWQDR-ZIAGYGMSSA-N 1 0 389.543 1.032 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000485560002 531436322 /nfs/dbraw/zinc/43/63/22/531436322.db2.gz KNDIVGVLEBZDMA-MFKMUULPSA-N 1 0 379.404 1.663 20 0 GDADRO CSc1ncc(Cl)c(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)n1 ZINC000534051699 531433783 /nfs/dbraw/zinc/43/37/83/531433783.db2.gz QLZIHIGBLHEPBF-LBPRGKRZSA-N 1 0 387.937 1.674 20 0 GDADRO C[C@H]([NH2+][C@H](CO)[C@@H]1CCCO1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000447918777 531441155 /nfs/dbraw/zinc/44/11/55/531441155.db2.gz SXHZRFDCXYDAOA-MAZHCROVSA-N 1 0 385.302 1.926 20 0 GDADRO CC(C)(CCC[NH3+])NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000293745803 531441640 /nfs/dbraw/zinc/44/16/40/531441640.db2.gz VNLXATBFPLTNGJ-UHFFFAOYSA-N 1 0 389.543 1.080 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2c(Br)c(C)nn2C)CC1 ZINC000447926674 531441717 /nfs/dbraw/zinc/44/17/17/531441717.db2.gz CFPNYBQVAHPBLL-UHFFFAOYSA-N 1 0 393.351 1.785 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c(C)s1 ZINC000485956588 531442144 /nfs/dbraw/zinc/44/21/44/531442144.db2.gz MZNUQDNHXBTLGA-IUODEOHRSA-N 1 0 385.555 1.396 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1)C1CC1 ZINC000485622935 531438230 /nfs/dbraw/zinc/43/82/30/531438230.db2.gz SPCPPISBGIMKBA-UHFFFAOYSA-N 1 0 394.313 1.807 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c2cccnc12 ZINC000534315824 531438419 /nfs/dbraw/zinc/43/84/19/531438419.db2.gz DBUXVIDIRKZRGI-DZGCQCFKSA-N 1 0 381.523 1.910 20 0 GDADRO NS(=O)(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000414318880 531439311 /nfs/dbraw/zinc/43/93/11/531439311.db2.gz YHILEICDNRDZGV-STQMWFEESA-N 1 0 388.331 1.813 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(F)c(F)c1F ZINC000360454151 531439890 /nfs/dbraw/zinc/43/98/90/531439890.db2.gz HISLQDHZUFFHLV-KGYLQXTDSA-N 1 0 378.416 1.976 20 0 GDADRO CCC[N@H+](CC)CCNCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414359541 531443200 /nfs/dbraw/zinc/44/32/00/531443200.db2.gz FAFPRRBNORWEDB-UHFFFAOYSA-N 1 0 378.336 1.918 20 0 GDADRO CC[C@H](C)[NH+]1CCN(C(=O)c2cnn(C)c2I)CC1 ZINC000293987874 531455488 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C[NH2+]CCCNC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415303245 531473813 /nfs/dbraw/zinc/47/38/13/531473813.db2.gz DWGYXVCHMCMNDW-UHFFFAOYSA-N 1 0 394.273 1.358 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000449711289 531474183 /nfs/dbraw/zinc/47/41/83/531474183.db2.gz CZZYTJLNFVEURS-JQWIXIFHSA-N 1 0 379.258 1.403 20 0 GDADRO O=C(Nc1cc(Br)ccc1-n1cccn1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415320727 531474327 /nfs/dbraw/zinc/47/43/27/531474327.db2.gz CBSZCIVDIXBSBF-LLVKDONJSA-N 1 0 378.230 1.051 20 0 GDADRO O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415325526 531474574 /nfs/dbraw/zinc/47/45/74/531474574.db2.gz DYACBWFSXHBCSD-SNVBAGLBSA-N 1 0 382.251 1.655 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(F)(F)F ZINC000449722761 531474793 /nfs/dbraw/zinc/47/47/93/531474793.db2.gz QFJUXHMHZJQHIC-NXEZZACHSA-N 1 0 385.433 1.297 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000415319786 531474936 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C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415333083 531476628 /nfs/dbraw/zinc/47/66/28/531476628.db2.gz IOASFGFMBGGFQJ-SNVBAGLBSA-N 1 0 382.251 1.938 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000415343452 531476658 /nfs/dbraw/zinc/47/66/58/531476658.db2.gz BPMJPEQJBUBSFC-MNOVXSKESA-N 1 0 384.274 1.901 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cn1)c1ccc(Cl)cc1 ZINC000537326769 531458946 /nfs/dbraw/zinc/45/89/46/531458946.db2.gz AYPAJHQLFKNVKT-HNNXBMFYSA-N 1 0 382.873 1.415 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000267891952 531459308 /nfs/dbraw/zinc/45/93/08/531459308.db2.gz SFIIUFZHZVKQGM-CYBMUJFWSA-N 1 0 376.450 1.247 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)nc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362398469 531460943 /nfs/dbraw/zinc/46/09/43/531460943.db2.gz XOWQTEVYPBSOLY-GDBMZVCRSA-N 1 0 386.949 1.523 20 0 GDADRO C[C@@H]1CN(C(=O)c2csc(S(C)(=O)=O)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362671366 531461752 /nfs/dbraw/zinc/46/17/52/531461752.db2.gz WFEQGEMGUUGXQP-UKRRQHHQSA-N 1 0 385.555 1.250 20 0 GDADRO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Br)cn1 ZINC000279932885 531461794 /nfs/dbraw/zinc/46/17/94/531461794.db2.gz NHALJTXEGXPKIW-SMDDNHRTSA-N 1 0 398.305 1.544 20 0 GDADRO COC(=O)c1c(Br)ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1C ZINC000415346182 531477519 /nfs/dbraw/zinc/47/75/19/531477519.db2.gz RBGGYCAWMQEUAH-VIFPVBQESA-N 1 0 398.257 1.303 20 0 GDADRO COc1ccc(Br)cc1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000414996152 531463728 /nfs/dbraw/zinc/46/37/28/531463728.db2.gz XBYIAAQISJTWLU-ZDUSSCGKSA-N 1 0 383.290 1.969 20 0 GDADRO COc1ccc(Br)cc1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000414987059 531464527 /nfs/dbraw/zinc/46/45/27/531464527.db2.gz JTOPLCORAZPACD-ZDUSSCGKSA-N 1 0 383.290 1.969 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000486910761 531464580 /nfs/dbraw/zinc/46/45/80/531464580.db2.gz YRAMFFDGJIRZIL-UGFHNGPFSA-N 1 0 380.286 1.646 20 0 GDADRO COC(=O)CCCc1nnc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)s1 ZINC000267982573 531464908 /nfs/dbraw/zinc/46/49/08/531464908.db2.gz PIUYYZXPEOOESS-HNNXBMFYSA-N 1 0 387.531 1.593 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415157775 531466443 /nfs/dbraw/zinc/46/64/43/531466443.db2.gz GKRXMTGYULQSOE-LLVKDONJSA-N 1 0 378.445 1.867 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000415182039 531466752 /nfs/dbraw/zinc/46/67/52/531466752.db2.gz CLGGCMOGUKQCRG-JTQLQIEISA-N 1 0 382.408 1.504 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449285030 531469337 /nfs/dbraw/zinc/46/93/37/531469337.db2.gz QLWFWXYEZYKFHJ-ZDUSSCGKSA-N 1 0 394.310 1.998 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000415264466 531469461 /nfs/dbraw/zinc/46/94/61/531469461.db2.gz CAJSPDRRBQFKPE-UHFFFAOYSA-N 1 0 397.317 1.362 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CCN(C)c4cc[nH+]cc43)cnc2c1Cl ZINC000538372966 531469562 /nfs/dbraw/zinc/46/95/62/531469562.db2.gz LTWNGSTYTCDVNS-UHFFFAOYSA-N 1 0 378.845 1.731 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000415275771 531470281 /nfs/dbraw/zinc/47/02/81/531470281.db2.gz BPQVKQTVLHDEJD-UHFFFAOYSA-N 1 0 387.889 1.460 20 0 GDADRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000449409505 531470349 /nfs/dbraw/zinc/47/03/49/531470349.db2.gz UMPQVDKWIMBFLE-DOTOQJQBSA-N 1 0 389.901 1.537 20 0 GDADRO O[C@H]1COCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000449414651 531470534 /nfs/dbraw/zinc/47/05/34/531470534.db2.gz LKAFIFQPTXHAKT-CYBMUJFWSA-N 1 0 377.222 1.753 20 0 GDADRO CC[NH+]1CCN(CC(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000542914677 531478009 /nfs/dbraw/zinc/47/80/09/531478009.db2.gz LPQVUFKMNLCJSG-MRXNPFEDSA-N 1 0 384.318 1.626 20 0 GDADRO O=C(Nc1ccc(C(F)(F)F)cc1Br)C(=O)N1CC[NH2+]CC1 ZINC000415278654 531470794 /nfs/dbraw/zinc/47/07/94/531470794.db2.gz HYBRITUSTUHPET-UHFFFAOYSA-N 1 0 380.164 1.838 20 0 GDADRO Cc1nnc(Sc2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)c(C)c2)s1 ZINC000415284168 531471628 /nfs/dbraw/zinc/47/16/28/531471628.db2.gz ORDHZEJUHDKVFU-UHFFFAOYSA-N 1 0 377.495 1.676 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415355374 531478425 /nfs/dbraw/zinc/47/84/25/531478425.db2.gz DCVSNHKWOSJPJI-QMMMGPOBSA-N 1 0 376.226 1.779 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CCO1 ZINC000415359742 531478994 /nfs/dbraw/zinc/47/89/94/531478994.db2.gz WNYYLUYTHAEDME-GFCCVEGCSA-N 1 0 380.246 1.826 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415362328 531479121 /nfs/dbraw/zinc/47/91/21/531479121.db2.gz AWICQNOGGLVYIB-UHFFFAOYSA-N 1 0 380.246 1.299 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N(C)CC[NH3+])c1 ZINC000415361790 531479213 /nfs/dbraw/zinc/47/92/13/531479213.db2.gz OIHCKLHMEVSASY-UHFFFAOYSA-N 1 0 377.182 1.500 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000415369441 531479704 /nfs/dbraw/zinc/47/97/04/531479704.db2.gz LSZQJQPHLYGEGT-JTQLQIEISA-N 1 0 387.267 1.245 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415372856 531480820 /nfs/dbraw/zinc/48/08/20/531480820.db2.gz HCZMUSXXPJGEOX-LBPRGKRZSA-N 1 0 392.257 1.442 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000415385261 531481613 /nfs/dbraw/zinc/48/16/13/531481613.db2.gz ZZDDBOCXAHBFMO-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415398446 531482259 /nfs/dbraw/zinc/48/22/59/531482259.db2.gz SNCMBJGWBCXMBO-LLVKDONJSA-N 1 0 384.274 1.820 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415389747 531482422 /nfs/dbraw/zinc/48/24/22/531482422.db2.gz FLUNIMGYPWMEDC-MRVPVSSYSA-N 1 0 376.201 1.734 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000415401651 531483255 /nfs/dbraw/zinc/48/32/55/531483255.db2.gz XOMMHIKEIIIYFV-SNVBAGLBSA-N 1 0 375.803 1.990 20 0 GDADRO CC1(C)NC(=O)N(CCC[N@H+](CCO)Cc2cccc(Br)c2)C1=O ZINC000488227535 531483718 /nfs/dbraw/zinc/48/37/18/531483718.db2.gz XEOYZNTUQNOZSN-UHFFFAOYSA-N 1 0 398.301 1.964 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])ccc1Br ZINC000415416293 531483987 /nfs/dbraw/zinc/48/39/87/531483987.db2.gz KCFGJBQOFDQRNG-MRVPVSSYSA-N 1 0 386.246 1.288 20 0 GDADRO Cn1cc(Br)cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c1=O ZINC000415427645 531485087 /nfs/dbraw/zinc/48/50/87/531485087.db2.gz OZTZWLFCRKQIDH-CYBMUJFWSA-N 1 0 399.289 1.110 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(I)cc2)CC[C@@H]1[NH3+] ZINC000415446814 531486888 /nfs/dbraw/zinc/48/68/88/531486888.db2.gz IMTQTXGWZZOPPX-SKDRFNHKSA-N 1 0 387.221 1.425 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000415454159 531487928 /nfs/dbraw/zinc/48/79/28/531487928.db2.gz ZWRCMCXMKOETDP-WDEREUQCSA-N 1 0 384.274 1.982 20 0 GDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N(CCO)Cc1cccc(Br)c1 ZINC000489126834 531493577 /nfs/dbraw/zinc/49/35/77/531493577.db2.gz VBXTUKUFOBWRSU-INIZCTEOSA-N 1 0 382.302 1.160 20 0 GDADRO CCOc1c(Br)cc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000545153413 531489120 /nfs/dbraw/zinc/48/91/20/531489120.db2.gz KPFFPFKCGUOWCV-INIZCTEOSA-N 1 0 387.274 1.653 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415521485 531491913 /nfs/dbraw/zinc/49/19/13/531491913.db2.gz UALGQROUCFNSEK-UHFFFAOYSA-N 1 0 384.267 2.233 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)nc1 ZINC000415520859 531491965 /nfs/dbraw/zinc/49/19/65/531491965.db2.gz SGVZCRWUUFEJQZ-SNVBAGLBSA-N 1 0 379.433 1.262 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415539382 531492885 /nfs/dbraw/zinc/49/28/85/531492885.db2.gz JPKDEXUAMRZUQL-MNOVXSKESA-N 1 0 384.274 1.900 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415352238 531478220 /nfs/dbraw/zinc/47/82/20/531478220.db2.gz AWGJEMVUGMMCMK-MRVPVSSYSA-N 1 0 376.201 1.876 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000268427121 531511181 /nfs/dbraw/zinc/51/11/81/531511181.db2.gz CJNONQUXIAZMFY-UHFFFAOYSA-N 1 0 388.917 1.709 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415686832 531513891 /nfs/dbraw/zinc/51/38/91/531513891.db2.gz VIEUCOWIYFKACP-XVKPBYJWSA-N 1 0 376.201 1.923 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658540158 531515014 /nfs/dbraw/zinc/51/50/14/531515014.db2.gz MZJVSGDBXMRCGO-UHFFFAOYSA-N 1 0 384.274 1.725 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2cc(Br)ccc2C)CCC[NH2+]1 ZINC000415701268 531515478 /nfs/dbraw/zinc/51/54/78/531515478.db2.gz BBFOZPISCKTFCZ-INIZCTEOSA-N 1 0 384.274 1.581 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1Br ZINC000415545555 531493710 /nfs/dbraw/zinc/49/37/10/531493710.db2.gz WIYNAAZDZFPZNC-ZJUUUORDSA-N 1 0 398.257 1.370 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415546380 531493921 /nfs/dbraw/zinc/49/39/21/531493921.db2.gz AUNJDPBVRCGDLD-SSDOTTSWSA-N 1 0 390.209 1.167 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1Br ZINC000415557560 531494402 /nfs/dbraw/zinc/49/44/02/531494402.db2.gz JEAHPKUOLFGQTL-GHMZBOCLSA-N 1 0 384.274 1.995 20 0 GDADRO COCC1(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC[NH2+]CC1 ZINC000415554211 531494514 /nfs/dbraw/zinc/49/45/14/531494514.db2.gz CUSPASBIILVBAQ-UHFFFAOYSA-N 1 0 389.905 1.881 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)C1C[NH+](C2CCCCC2)C1 ZINC000581533026 531496013 /nfs/dbraw/zinc/49/60/13/531496013.db2.gz CRUVTSZJFHTGED-UHFFFAOYSA-N 1 0 382.302 1.992 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000415575150 531497225 /nfs/dbraw/zinc/49/72/25/531497225.db2.gz DYIWFDRZYDSZAF-LKTVYLICSA-N 1 0 396.285 1.982 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cncc(Br)c1 ZINC000657884198 531497844 /nfs/dbraw/zinc/49/78/44/531497844.db2.gz MXKGLVQCHQFCJZ-PBHICJAKSA-N 1 0 383.334 1.901 20 0 GDADRO COc1ccc(NC(=O)N2CCO[C@H](C[NH3+])C2)c(I)c1 ZINC000415597204 531500605 /nfs/dbraw/zinc/50/06/05/531500605.db2.gz NEVWCYVKLNRKBS-SNVBAGLBSA-N 1 0 391.209 1.491 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415599381 531501971 /nfs/dbraw/zinc/50/19/71/531501971.db2.gz QUNJPEBRWGXJGW-UHFFFAOYSA-N 1 0 382.233 1.513 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415612199 531502312 /nfs/dbraw/zinc/50/23/12/531502312.db2.gz KGHCZMIOAQURDY-JOYOIKCWSA-N 1 0 387.221 1.344 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000581608435 531503107 /nfs/dbraw/zinc/50/31/07/531503107.db2.gz FMOFUEYJSKOJRC-MRVPVSSYSA-N 1 0 398.710 1.186 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415617452 531504700 /nfs/dbraw/zinc/50/47/00/531504700.db2.gz CAUJOFOESBUJTP-MRVPVSSYSA-N 1 0 376.201 1.924 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415626840 531504748 /nfs/dbraw/zinc/50/47/48/531504748.db2.gz RNHYOUIDIXTEAQ-MWLCHTKSSA-N 1 0 381.889 1.855 20 0 GDADRO C[N@H+](CC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@@H]1CCSC1 ZINC000581643721 531504860 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C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCCO[C@@H]1CC1(F)F ZINC000658606192 531519297 /nfs/dbraw/zinc/51/92/97/531519297.db2.gz NCBXSRPIBVZWAN-CYBMUJFWSA-N 1 0 375.441 1.179 20 0 GDADRO COc1ncc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)c(C)c1Br ZINC000658425693 531509047 /nfs/dbraw/zinc/50/90/47/531509047.db2.gz FLCXOJALBHHCJJ-VIFPVBQESA-N 1 0 387.278 1.556 20 0 GDADRO CN(CCC[NH3+])C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000557145687 531509599 /nfs/dbraw/zinc/50/95/99/531509599.db2.gz IBBLIBLTJNCIRG-UHFFFAOYSA-N 1 0 385.306 1.788 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000635904406 531521044 /nfs/dbraw/zinc/52/10/44/531521044.db2.gz RWQIXZUQEXNQDZ-NSHDSACASA-N 1 0 377.869 1.215 20 0 GDADRO C[C@](O)(C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000581880274 531522068 /nfs/dbraw/zinc/52/20/68/531522068.db2.gz ACGMQKNLVBBWCS-NSHDSACASA-N 1 0 378.775 1.660 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658657313 531522137 /nfs/dbraw/zinc/52/21/37/531522137.db2.gz VEUABKSCFAOBPR-UHFFFAOYSA-N 1 0 382.302 1.736 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NCC[NH+](CC)CC)cnc1C(F)F ZINC000450963400 531522727 /nfs/dbraw/zinc/52/27/27/531522727.db2.gz XSAQGPJDNCBLEE-UHFFFAOYSA-N 1 0 379.429 1.816 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000415748771 531523561 /nfs/dbraw/zinc/52/35/61/531523561.db2.gz QCGYFXAVGPGKME-WDEREUQCSA-N 1 0 382.258 1.464 20 0 GDADRO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCSCC2)C1 ZINC000549749348 531524124 /nfs/dbraw/zinc/52/41/24/531524124.db2.gz DUFUDEFEUYMDFO-HZPDHXFCSA-N 1 0 392.587 1.857 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(F)c1I ZINC000415746860 531524320 /nfs/dbraw/zinc/52/43/20/531524320.db2.gz PDVFFJQFPUOUOQ-CBAPKCEASA-N 1 0 391.184 1.317 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415752407 531525605 /nfs/dbraw/zinc/52/56/05/531525605.db2.gz DKPCZFLCFGKMTI-TXEJJXNPSA-N 1 0 396.285 1.854 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCO1 ZINC000415753815 531525810 /nfs/dbraw/zinc/52/58/10/531525810.db2.gz HFLYHIQAPSZMQL-CYBMUJFWSA-N 1 0 380.246 1.826 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)NCc1cccc(Cl)c1Cl ZINC000550784628 531528039 /nfs/dbraw/zinc/52/80/39/531528039.db2.gz WOPPVSOFOCSMFM-UHFFFAOYSA-N 1 0 388.295 1.838 20 0 GDADRO COc1cc(I)ccc1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415776183 531528195 /nfs/dbraw/zinc/52/81/95/531528195.db2.gz WJIBODRAFXFGNF-JTQLQIEISA-N 1 0 391.209 1.491 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000415785013 531530114 /nfs/dbraw/zinc/53/01/14/531530114.db2.gz GLPJFZUMWVFUGJ-UHFFFAOYSA-N 1 0 398.257 1.512 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000415785369 531530223 /nfs/dbraw/zinc/53/02/23/531530223.db2.gz KOQWKFFFRSYSJH-LURJTMIESA-N 1 0 397.163 1.361 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cc1OC ZINC000415785405 531530273 /nfs/dbraw/zinc/53/02/73/531530273.db2.gz GTPXPRSMMUIYIJ-UHFFFAOYSA-N 1 0 386.246 1.353 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OC)cc1I ZINC000415788692 531530391 /nfs/dbraw/zinc/53/03/91/531530391.db2.gz OUJAUWSTWGKHIT-MRVPVSSYSA-N 1 0 391.209 1.092 20 0 GDADRO CN(C(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1)C1CC([NH3+])C1 ZINC000415790414 531531029 /nfs/dbraw/zinc/53/10/29/531531029.db2.gz PDBLUFCYIQBFIA-UHFFFAOYSA-N 1 0 395.301 1.936 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC12CCOCC2 ZINC000415824253 531537583 /nfs/dbraw/zinc/53/75/83/531537583.db2.gz VQRXFPZWMCBXSW-LBPRGKRZSA-N 1 0 396.285 1.602 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c(Br)c1 ZINC000415828389 531538136 /nfs/dbraw/zinc/53/81/36/531538136.db2.gz FMHGRRSTBNBEKN-LBPRGKRZSA-N 1 0 384.274 1.499 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CC(C)(C)c3ccc(Br)cc32)CC[NH2+]1 ZINC000659077843 531538479 /nfs/dbraw/zinc/53/84/79/531538479.db2.gz OFHUALSMNSXDKJ-NSHDSACASA-N 1 0 380.286 1.894 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c(Cl)cc1Br ZINC000659079963 531538599 /nfs/dbraw/zinc/53/85/99/531538599.db2.gz ZZIYAGRPOIOOPG-MRVPVSSYSA-N 1 0 390.665 1.918 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(OC)c(Br)cc2Cl)C1 ZINC000659076173 531538610 /nfs/dbraw/zinc/53/86/10/531538610.db2.gz WYFRDZMCTBHISY-QMMMGPOBSA-N 1 0 390.665 1.870 20 0 GDADRO CCCC[NH+]1CCC(NS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC000451121182 531553286 /nfs/dbraw/zinc/55/32/86/531553286.db2.gz PHOLACPNTCGCFH-UHFFFAOYSA-N 1 0 388.555 1.774 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C[C@H]1[NH3+] ZINC000415830161 531539425 /nfs/dbraw/zinc/53/94/25/531539425.db2.gz LTTPUPALUMJQCN-BXKDBHETSA-N 1 0 377.242 1.741 20 0 GDADRO Cc1ncsc1CCS(=O)(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000295205918 531539504 /nfs/dbraw/zinc/53/95/04/531539504.db2.gz TYLHTMKIRFANDX-UHFFFAOYSA-N 1 0 384.527 1.449 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000280780477 531540257 /nfs/dbraw/zinc/54/02/57/531540257.db2.gz FPXNUZZFMVSZFG-SWLSCSKDSA-N 1 0 397.317 1.972 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659098393 531540259 /nfs/dbraw/zinc/54/02/59/531540259.db2.gz OSMXBGSZMNWRTJ-UHFFFAOYSA-N 1 0 387.889 1.460 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000364164581 531540633 /nfs/dbraw/zinc/54/06/33/531540633.db2.gz BTVKXAVRLPSYPC-YHWZYXNKSA-N 1 0 381.270 1.759 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000659097239 531540659 /nfs/dbraw/zinc/54/06/59/531540659.db2.gz VZESECVRTOSBCX-UHFFFAOYSA-N 1 0 394.273 1.769 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1F ZINC000659107818 531541678 /nfs/dbraw/zinc/54/16/78/531541678.db2.gz BCNHTHBOAUUSIL-NXEZZACHSA-N 1 0 376.201 1.733 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659110936 531541765 /nfs/dbraw/zinc/54/17/65/531541765.db2.gz BDPXKBKKLMYYSG-MRVPVSSYSA-N 1 0 376.226 1.650 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659099959 531542065 /nfs/dbraw/zinc/54/20/65/531542065.db2.gz GDOFKTMWPNGCBY-UHFFFAOYSA-N 1 0 385.873 1.022 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC[C@H]1F ZINC000659108621 531542132 /nfs/dbraw/zinc/54/21/32/531542132.db2.gz OULFTAKDFDQJNZ-RKDXNWHRSA-N 1 0 378.629 1.939 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000659104578 531542234 /nfs/dbraw/zinc/54/22/34/531542234.db2.gz NKTWTCMOALRLIY-UHFFFAOYSA-N 1 0 389.253 1.804 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280807514 531542670 /nfs/dbraw/zinc/54/26/70/531542670.db2.gz LNMUKAPMAMSVSY-BZNIZROVSA-N 1 0 381.274 1.631 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415851967 531543391 /nfs/dbraw/zinc/54/33/91/531543391.db2.gz PZZYKSZZWHWETH-MNOVXSKESA-N 1 0 384.274 1.840 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415851969 531543493 /nfs/dbraw/zinc/54/34/93/531543493.db2.gz PZZYKSZZWHWETH-WDEREUQCSA-N 1 0 384.274 1.840 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(Br)cc1Cl ZINC000415852783 531543801 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COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415868872 531546102 /nfs/dbraw/zinc/54/61/02/531546102.db2.gz MLPAERUIMCWGHY-NEPJUHHUSA-N 1 0 396.285 1.773 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000659682842 531553755 /nfs/dbraw/zinc/55/37/55/531553755.db2.gz OYVWQBFUCXTTFZ-OPEGHZNSSA-N 1 0 394.269 1.257 20 0 GDADRO Cc1cc(I)cnc1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000491090583 531548477 /nfs/dbraw/zinc/54/84/77/531548477.db2.gz GSDWXHOJZLUOEQ-LBPRGKRZSA-N 1 0 386.237 1.323 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415874681 531548524 /nfs/dbraw/zinc/54/85/24/531548524.db2.gz XFEKOXBVLXMWFP-NSHDSACASA-N 1 0 381.274 1.918 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415880291 531548555 /nfs/dbraw/zinc/54/85/55/531548555.db2.gz RJEHALVSOURPJP-UHFFFAOYSA-N 1 0 379.052 1.567 20 0 GDADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N(C)CC[NH3+] ZINC000415876362 531548591 /nfs/dbraw/zinc/54/85/91/531548591.db2.gz 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386.945 1.919 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000659708461 531555713 /nfs/dbraw/zinc/55/57/13/531555713.db2.gz RNQRCQVWXOEKSR-YMTOWFKASA-N 1 0 386.265 1.880 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000659749926 531558920 /nfs/dbraw/zinc/55/89/20/531558920.db2.gz CWRZSPSQJHCMIE-YGRLFVJLSA-N 1 0 386.265 1.976 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000659750015 531559209 /nfs/dbraw/zinc/55/92/09/531559209.db2.gz LSWCINJOSPUNDF-BXUZGUMPSA-N 1 0 398.301 1.845 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000636534491 531561520 /nfs/dbraw/zinc/56/15/20/531561520.db2.gz XBHWLORKXIDLBA-UHFFFAOYSA-N 1 0 387.326 1.008 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(Cl)ncc1Cl ZINC000280971922 531562126 /nfs/dbraw/zinc/56/21/26/531562126.db2.gz AHXZVMZZSKOEDG-UHFFFAOYSA-N 1 0 389.283 1.251 20 0 GDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000558554989 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CN1CCN(S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)c2c[nH+]ccc21 ZINC000562706749 531772930 /nfs/dbraw/zinc/77/29/30/531772930.db2.gz OSNIDMOTMYCNGJ-UHFFFAOYSA-N 1 0 381.479 1.271 20 0 GDADRO COc1cc(Br)c(CNC(=O)NC[C@H]2C[NH2+]CCO2)cc1OC ZINC000417444339 531773000 /nfs/dbraw/zinc/77/30/00/531773000.db2.gz CPDKIHCHSTWUHS-LLVKDONJSA-N 1 0 388.262 1.254 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667265987 531773190 /nfs/dbraw/zinc/77/31/90/531773190.db2.gz IVOMZXVSAFMROM-LBPRGKRZSA-N 1 0 384.274 1.963 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417440926 531773170 /nfs/dbraw/zinc/77/31/70/531773170.db2.gz ZIZXHLKXZYUJGK-GFCCVEGCSA-N 1 0 385.306 1.996 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417443457 531773248 /nfs/dbraw/zinc/77/32/48/531773248.db2.gz XMSJAFIUCDIGGT-KGLIPLIRSA-N 1 0 383.290 1.748 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667266043 531773373 /nfs/dbraw/zinc/77/33/73/531773373.db2.gz KOCXCGHZYCDKJH-LBPRGKRZSA-N 1 0 387.889 1.330 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667265871 531773953 /nfs/dbraw/zinc/77/39/53/531773953.db2.gz DXGWNURYFQTCRX-LLVKDONJSA-N 1 0 384.274 1.963 20 0 GDADRO C[C@@H]1CN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000417481445 531776278 /nfs/dbraw/zinc/77/62/78/531776278.db2.gz HKXJVMULSPCKJV-BXUZGUMPSA-N 1 0 383.290 1.558 20 0 GDADRO COC[C@@H](OC)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000667350608 531777167 /nfs/dbraw/zinc/77/71/67/531777167.db2.gz MHTQQZSQZNBYIB-OAHLLOKOSA-N 1 0 386.290 1.801 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641103386 531777240 /nfs/dbraw/zinc/77/72/40/531777240.db2.gz BQMGLQIEJMECLX-WFASDCNBSA-N 1 0 394.273 1.535 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](C[NH3+])C2)s1 ZINC000562795398 531779303 /nfs/dbraw/zinc/77/93/03/531779303.db2.gz JHTCFBPCPMQOIH-CYBMUJFWSA-N 1 0 388.559 1.659 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000417517808 531779679 /nfs/dbraw/zinc/77/96/79/531779679.db2.gz QZMYRWAJUWJBGD-LBPRGKRZSA-N 1 0 376.548 1.358 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000562841328 531783298 /nfs/dbraw/zinc/78/32/98/531783298.db2.gz ANRQZJGYOAGUPZ-LSDHHAIUSA-N 1 0 380.491 1.124 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000667402448 531780028 /nfs/dbraw/zinc/78/00/28/531780028.db2.gz DUANCNJRARIPTH-AAEUAGOBSA-N 1 0 384.274 1.579 20 0 GDADRO O=C(CCOC1C[NH2+]C1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000563060943 531801702 /nfs/dbraw/zinc/80/17/02/531801702.db2.gz RSXIFTDRYUMCIK-UHFFFAOYSA-N 1 0 386.279 1.656 20 0 GDADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1ccc(Br)c(Cl)c1 ZINC000562841794 531783483 /nfs/dbraw/zinc/78/34/83/531783483.db2.gz WGGREVAPRJTOFR-SECBINFHSA-N 1 0 383.695 1.759 20 0 GDADRO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)Oc1ccc(Br)cc1 ZINC000417774384 531784351 /nfs/dbraw/zinc/78/43/51/531784351.db2.gz KRMRMGJVFWAVFS-OCCSQVGLSA-N 1 0 385.306 1.419 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccccc1Br ZINC000562871666 531784456 /nfs/dbraw/zinc/78/44/56/531784456.db2.gz RDOWSSXRPVNFNC-CQSZACIVSA-N 1 0 391.331 1.979 20 0 GDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2cccc(Br)c2)CC1 ZINC000562858678 531785115 /nfs/dbraw/zinc/78/51/15/531785115.db2.gz HYPWMYOYOFWUJM-QGZVFWFLSA-N 1 0 393.329 1.488 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(C[C@@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641195863 531785308 /nfs/dbraw/zinc/78/53/08/531785308.db2.gz JUFSXAYMOLVTIA-DGCLKSJQSA-N 1 0 375.256 1.541 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(Br)cc3-n3cnnn3)C2)C1 ZINC000622876697 531786742 /nfs/dbraw/zinc/78/67/42/531786742.db2.gz NOLGUPOIGAUROC-MRXNPFEDSA-N 1 0 391.273 1.593 20 0 GDADRO Clc1cc(Br)cnc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641207209 531786928 /nfs/dbraw/zinc/78/69/28/531786928.db2.gz PXXHINIBDKMMBY-UHFFFAOYSA-N 1 0 385.697 1.585 20 0 GDADRO [NH3+][C@@H](c1cn(C[C@@H](O)CC2(O)CCC2)nn1)c1ccc(Br)cc1 ZINC000641231187 531787841 /nfs/dbraw/zinc/78/78/41/531787841.db2.gz ZFIWTCWOYJIJQY-DZGCQCFKSA-N 1 0 381.274 1.755 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000622882250 531788485 /nfs/dbraw/zinc/78/84/85/531788485.db2.gz GOZREMXTQZWDRD-ZDUSSCGKSA-N 1 0 393.289 1.980 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCC2([NH3+])CCCCC2)c(C)s1 ZINC000417908599 531789041 /nfs/dbraw/zinc/78/90/41/531789041.db2.gz GQRQUVRBVSQEAU-UHFFFAOYSA-N 1 0 388.559 1.604 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(CC(=O)Nc2ccc(I)cc2)CCO1 ZINC000592475100 531790308 /nfs/dbraw/zinc/79/03/08/531790308.db2.gz NTYMYKGYUSINPI-ZWNOBZJWSA-N 1 0 389.237 1.278 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(C)s1 ZINC000417914967 531790856 /nfs/dbraw/zinc/79/08/56/531790856.db2.gz SXVIEMRABYUOQP-CQSZACIVSA-N 1 0 390.575 1.658 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCn3cc(Br)ccc3=O)[C@H]2C1 ZINC000563054084 531802036 /nfs/dbraw/zinc/80/20/36/531802036.db2.gz OGQBDFZNYOOIQY-JSGCOSHPSA-N 1 0 383.290 1.346 20 0 GDADRO CC[N@H+](CCNC(=O)c1cc(Br)ccc1-n1cnnn1)C1CC1 ZINC000668152241 531792626 /nfs/dbraw/zinc/79/26/26/531792626.db2.gz FAQZHLRMMWNVHW-UHFFFAOYSA-N 1 0 379.262 1.639 20 0 GDADRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000417925910 531792847 /nfs/dbraw/zinc/79/28/47/531792847.db2.gz KEVBFACUZILZAK-GHMZBOCLSA-N 1 0 394.950 1.367 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NCC[C@@H]1CCC[NH2+]C1 ZINC000417937477 531793827 /nfs/dbraw/zinc/79/38/27/531793827.db2.gz VQXIAPQNOKGHAV-NSHDSACASA-N 1 0 394.950 1.369 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000417980453 531795499 /nfs/dbraw/zinc/79/54/99/531795499.db2.gz IPVJFIWKHRDMHW-DFBGVHRSSA-N 1 0 386.290 1.813 20 0 GDADRO O=C(CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)NC(=O)NCC(F)(F)F ZINC000511629561 531797125 /nfs/dbraw/zinc/79/71/25/531797125.db2.gz QWXZNSOETJBSBD-BDAKNGLRSA-N 1 0 379.301 1.257 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)NC[C@@H](C)C[NH3+])C2=O)ccc1Br ZINC000418015116 531797383 /nfs/dbraw/zinc/79/73/83/531797383.db2.gz PKEZLMAUPXGXLS-IINYFYTJSA-N 1 0 383.290 1.757 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N3CC[C@@H]([NH3+])C3)C2=O)ccc1Br ZINC000418012464 531797519 /nfs/dbraw/zinc/79/75/19/531797519.db2.gz MBAJCGQNJPOJMM-RISCZKNCSA-N 1 0 381.274 1.605 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NCc1cc(Br)cc2c1OCC2 ZINC000418020375 531797768 /nfs/dbraw/zinc/79/77/68/531797768.db2.gz ZSYYXUWHSSYZFV-UHFFFAOYSA-N 1 0 397.317 1.479 20 0 GDADRO [O-]c1c(Br)cc(CN2C[C@H](O)[C@@H](CO)C2)cc1Br ZINC000668235273 531797741 /nfs/dbraw/zinc/79/77/41/531797741.db2.gz HQJTWYRXQYNDRC-KCJUWKMLSA-N 1 0 381.064 1.702 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000512299282 531799381 /nfs/dbraw/zinc/79/93/81/531799381.db2.gz MSMKPPBSRFYOCF-CYBMUJFWSA-N 1 0 394.317 1.853 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623661927 531818430 /nfs/dbraw/zinc/81/84/30/531818430.db2.gz HUWDVTQCNKRPBR-GIPNMCIBSA-N 1 0 384.274 1.316 20 0 GDADRO COC(=O)CNC(=O)[C@H]1CCCN1Cc1cn2ccc(Br)cc2n1 ZINC000418124536 531803496 /nfs/dbraw/zinc/80/34/96/531803496.db2.gz MMQHGBHQEDAFRT-CYBMUJFWSA-N 1 0 395.257 1.350 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418137197 531803931 /nfs/dbraw/zinc/80/39/31/531803931.db2.gz CNVWTYSKDBLCKF-ZDUSSCGKSA-N 1 0 388.921 1.402 20 0 GDADRO O=C(NCCOc1ccc(I)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000418155529 531806872 /nfs/dbraw/zinc/80/68/72/531806872.db2.gz LVADLXFCQUCLQP-GFCCVEGCSA-N 1 0 389.237 1.721 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418157580 531809035 /nfs/dbraw/zinc/80/90/35/531809035.db2.gz ORJJRMMAWGGQTM-UHFFFAOYSA-N 1 0 394.900 1.384 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000269940015 531809233 /nfs/dbraw/zinc/80/92/33/531809233.db2.gz SZTZEEXLIZKRLF-HNNXBMFYSA-N 1 0 379.791 1.309 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000563130156 531810448 /nfs/dbraw/zinc/81/04/48/531810448.db2.gz UJRKPKSHRQIPDN-JTQLQIEISA-N 1 0 382.711 1.284 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418163691 531810609 /nfs/dbraw/zinc/81/06/09/531810609.db2.gz HAMPYDCHMPKWOJ-NWDGAFQWSA-N 1 0 392.884 1.327 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000269950031 531811058 /nfs/dbraw/zinc/81/10/58/531811058.db2.gz VOFJBYBXTNGVKP-RHSMWYFYSA-N 1 0 385.917 1.284 20 0 GDADRO C[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccccc1I ZINC000453269532 531811972 /nfs/dbraw/zinc/81/19/72/531811972.db2.gz CQUVGEIMHKVWTD-ZWNOBZJWSA-N 1 0 395.262 1.491 20 0 GDADRO COC1([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CCOCC1 ZINC000453209995 531812575 /nfs/dbraw/zinc/81/25/75/531812575.db2.gz IXNQYXOSUPGXPS-LBPRGKRZSA-N 1 0 378.441 1.417 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418174735 531812600 /nfs/dbraw/zinc/81/26/00/531812600.db2.gz RVNCQKJEUPBJDR-MNOVXSKESA-N 1 0 392.884 1.136 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000563145502 531812809 /nfs/dbraw/zinc/81/28/09/531812809.db2.gz XRLKSVUGPRMIBK-IUCAKERBSA-N 1 0 376.682 1.961 20 0 GDADRO CCN(CCCNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)S(C)(=O)=O ZINC000515830578 531812783 /nfs/dbraw/zinc/81/27/83/531812783.db2.gz FOCVRXLPPDHQHJ-MRXNPFEDSA-N 1 0 376.567 1.469 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418174707 531813105 /nfs/dbraw/zinc/81/31/05/531813105.db2.gz RSYDMRDOSXINCW-LBPRGKRZSA-N 1 0 378.445 1.060 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[NH2+]CC1 ZINC000563146790 531813144 /nfs/dbraw/zinc/81/31/44/531813144.db2.gz TTXZQIQRIGUKNP-LLVKDONJSA-N 1 0 379.404 1.194 20 0 GDADRO [NH3+]CCCCNC(=O)NCC(=O)Nc1ccc(I)cc1 ZINC000418177918 531813684 /nfs/dbraw/zinc/81/36/84/531813684.db2.gz YADLCEFPBKWPMO-UHFFFAOYSA-N 1 0 390.225 1.268 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000297708129 531813709 /nfs/dbraw/zinc/81/37/09/531813709.db2.gz CIDAZHZMWWALAX-UHFFFAOYSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CCO1 ZINC000669458043 531814499 /nfs/dbraw/zinc/81/44/99/531814499.db2.gz LLBWVRWMTVXQPN-DUVNUKRYSA-N 1 0 397.317 1.785 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000269962743 531814686 /nfs/dbraw/zinc/81/46/86/531814686.db2.gz YGBQMHUTDFHIHO-IAGOWNOFSA-N 1 0 383.901 1.698 20 0 GDADRO Cc1sc(Br)c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1C ZINC000282970040 531815231 /nfs/dbraw/zinc/81/52/31/531815231.db2.gz JGGDXWKWDFJGBB-UHFFFAOYSA-N 1 0 388.331 1.973 20 0 GDADRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453367734 531815220 /nfs/dbraw/zinc/81/52/20/531815220.db2.gz MRFSDBKMNGOUHK-SNVBAGLBSA-N 1 0 396.340 1.748 20 0 GDADRO [NH3+]C/C=C\CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000669584316 531815478 /nfs/dbraw/zinc/81/54/78/531815478.db2.gz NLTILMZYPOEPMI-UPHRSURJSA-N 1 0 381.285 1.086 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)C(F)F ZINC000418231209 531816733 /nfs/dbraw/zinc/81/67/33/531816733.db2.gz KQXXVCHPDRWYJB-GFCCVEGCSA-N 1 0 383.848 1.786 20 0 GDADRO CC1(C)CCC[NH2+][C@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000516451058 531817941 /nfs/dbraw/zinc/81/79/41/531817941.db2.gz SXHDAFCIHPAPBD-AWEZNQCLSA-N 1 0 391.896 1.652 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418353111 531821921 /nfs/dbraw/zinc/82/19/21/531821921.db2.gz ABOJYLQAPISWEL-DZGCQCFKSA-N 1 0 384.318 1.960 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000453670828 531822158 /nfs/dbraw/zinc/82/21/58/531822158.db2.gz PFTOOGWOCFFLSJ-YMTOWFKASA-N 1 0 381.274 1.690 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418396897 531824546 /nfs/dbraw/zinc/82/45/46/531824546.db2.gz UKBIFGDVBRYSPQ-LLVKDONJSA-N 1 0 376.270 1.948 20 0 GDADRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000623794127 531825092 /nfs/dbraw/zinc/82/50/92/531825092.db2.gz JEWGRIAHOGXCMT-XYOKQWHBSA-N 1 0 375.441 1.772 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000418395657 531825136 /nfs/dbraw/zinc/82/51/36/531825136.db2.gz HGRPROWFQUZEHK-BMIGLBTASA-N 1 0 388.281 1.776 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000418495329 531828286 /nfs/dbraw/zinc/82/82/86/531828286.db2.gz UFQPGVGNMWBPME-LLVKDONJSA-N 1 0 394.950 1.402 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)NC[C@H](C)[NH3+] ZINC000641471598 531828762 /nfs/dbraw/zinc/82/87/62/531828762.db2.gz HIIZPEBHGXGDAT-VIFPVBQESA-N 1 0 377.308 1.506 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1=Cc2cc(Br)ccc2OC1 ZINC000670408251 531829740 /nfs/dbraw/zinc/82/97/40/531829740.db2.gz KOYGCFJONGJJFT-MRXNPFEDSA-N 1 0 392.297 1.731 20 0 GDADRO NS(=O)(=O)CCCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000563239048 531821111 /nfs/dbraw/zinc/82/11/11/531821111.db2.gz GTFNWSJDDBKSMK-HNNXBMFYSA-N 1 0 387.571 1.925 20 0 GDADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000367368686 531832558 /nfs/dbraw/zinc/83/25/58/531832558.db2.gz VZKFKQQDNXIKLU-GJZGRUSLSA-N 1 0 378.535 1.673 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000418717620 531834136 /nfs/dbraw/zinc/83/41/36/531834136.db2.gz ZPYDOYRTALVZOG-LLVKDONJSA-N 1 0 394.950 1.545 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000418705588 531834206 /nfs/dbraw/zinc/83/42/06/531834206.db2.gz FAQCQDRSFFSHPX-NSHDSACASA-N 1 0 394.950 1.545 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000270167032 531834646 /nfs/dbraw/zinc/83/46/46/531834646.db2.gz BUZTZYHFWHMMSF-HNNXBMFYSA-N 1 0 386.539 1.443 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000418738858 531835653 /nfs/dbraw/zinc/83/56/53/531835653.db2.gz XVXIEAAXPYXLQH-DGCLKSJQSA-N 1 0 398.305 1.942 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000418727023 531835807 /nfs/dbraw/zinc/83/58/07/531835807.db2.gz MDIHTKXNEWAYRJ-CYBMUJFWSA-N 1 0 398.305 1.942 20 0 GDADRO [NH3+]CC[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1c(F)cccc1Cl)C(F)F ZINC000418744079 531835972 /nfs/dbraw/zinc/83/59/72/531835972.db2.gz UCDPYSYGJZOZNL-JQWIXIFHSA-N 1 0 378.782 1.644 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)N(CCO)Cc1cccc(Br)c1)C(F)F ZINC000418731319 531836378 /nfs/dbraw/zinc/83/63/78/531836378.db2.gz IOFPGXSJHNSZFV-GFCCVEGCSA-N 1 0 380.233 1.936 20 0 GDADRO O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418752454 531836962 /nfs/dbraw/zinc/83/69/62/531836962.db2.gz GNRGGEGLHXJYOF-NWDGAFQWSA-N 1 0 378.217 1.779 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)N(CC)CC[NH3+] ZINC000624382299 531839129 /nfs/dbraw/zinc/83/91/29/531839129.db2.gz WQGPAMPKXQGTEF-UHFFFAOYSA-N 1 0 395.319 1.834 20 0 GDADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000624358826 531839568 /nfs/dbraw/zinc/83/95/68/531839568.db2.gz VUKKPHAYLJGELK-JOYOIKCWSA-N 1 0 381.267 1.633 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)NC[C@@H]1C[NH2+]CCN1C)CC2 ZINC000418775509 531839631 /nfs/dbraw/zinc/83/96/31/531839631.db2.gz ZWBUSNUPEVOXEZ-HNNXBMFYSA-N 1 0 381.318 1.729 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418772499 531839815 /nfs/dbraw/zinc/83/98/15/531839815.db2.gz WSNHWNJGRGMJJZ-STQMWFEESA-N 1 0 381.318 1.981 20 0 GDADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000624369454 531839935 /nfs/dbraw/zinc/83/99/35/531839935.db2.gz FPFPEIJYLBZXLK-SNVBAGLBSA-N 1 0 381.267 1.553 20 0 GDADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)NC[C@H]1C[NH2+]CCCO1 ZINC000418781139 531839922 /nfs/dbraw/zinc/83/99/22/531839922.db2.gz CXPFBSYXAHPMKR-NWDGAFQWSA-N 1 0 392.283 1.411 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000453824540 531830243 /nfs/dbraw/zinc/83/02/43/531830243.db2.gz UBMLAIWYOLQUET-LLVKDONJSA-N 1 0 375.803 1.520 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000283306381 531849054 /nfs/dbraw/zinc/84/90/54/531849054.db2.gz HXPJIKZYEDNFKE-MRVPVSSYSA-N 1 0 380.297 1.772 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418836888 531850812 /nfs/dbraw/zinc/85/08/12/531850812.db2.gz RVWDQXLQIRDOGV-BLNMRFBMSA-N 1 0 392.297 1.820 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418846665 531852554 /nfs/dbraw/zinc/85/25/54/531852554.db2.gz SHDOCVLWBDWRMV-JMSVASOKSA-N 1 0 382.302 1.611 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCCc2c[nH]c3ccc(Br)cc23)CCC1 ZINC000418847415 531852617 /nfs/dbraw/zinc/85/26/17/531852617.db2.gz VJIMEXCHTDAPMS-UHFFFAOYSA-N 1 0 393.285 1.587 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1cc(F)c(Cl)cc1Cl ZINC000418848372 531853451 /nfs/dbraw/zinc/85/34/51/531853451.db2.gz LKFMDIYSKRYOFZ-BDAKNGLRSA-N 1 0 378.231 1.414 20 0 GDADRO CC1(C)[C@H]([NH3+])C[C@@H]1NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000641803809 531853605 /nfs/dbraw/zinc/85/36/05/531853605.db2.gz HWMGVWTYYVZMIQ-OLZOCXBDSA-N 1 0 383.290 1.219 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418850654 531854322 /nfs/dbraw/zinc/85/43/22/531854322.db2.gz QOGSJPYSGZHFGW-STQMWFEESA-N 1 0 398.276 1.315 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418848663 531854972 /nfs/dbraw/zinc/85/49/72/531854972.db2.gz ZODGZAWRMUGJES-CYBMUJFWSA-N 1 0 394.313 1.922 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2cc(F)c(Cl)cc2F)[C@@H](C[NH3+])C1 ZINC000418799676 531840693 /nfs/dbraw/zinc/84/06/93/531840693.db2.gz AVOVMADKYJMXBQ-GHMZBOCLSA-N 1 0 375.803 1.199 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCC2([NH3+])CCOCC2)c1 ZINC000624387426 531841444 /nfs/dbraw/zinc/84/14/44/531841444.db2.gz PHFXVCVMTBPULV-UHFFFAOYSA-N 1 0 392.319 1.301 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)cn1 ZINC000624389624 531841506 /nfs/dbraw/zinc/84/15/06/531841506.db2.gz FYELLEWZAJWIJG-UHFFFAOYSA-N 1 0 381.479 1.085 20 0 GDADRO CCS(=O)(=O)NCCC[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000298019204 531841800 /nfs/dbraw/zinc/84/18/00/531841800.db2.gz BAGZURIRYUUFFL-AWEZNQCLSA-N 1 0 379.320 1.744 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418807767 531842057 /nfs/dbraw/zinc/84/20/57/531842057.db2.gz KEFDLJDVCFFTHD-UVWXRNBGSA-N 1 0 398.326 1.695 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000624398012 531842348 /nfs/dbraw/zinc/84/23/48/531842348.db2.gz SWHIHKSIGXWMES-UHFFFAOYSA-N 1 0 399.282 1.453 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1Br ZINC000624405379 531842898 /nfs/dbraw/zinc/84/28/98/531842898.db2.gz IXWNDUNKHGWCBR-GXSJLCMTSA-N 1 0 390.303 1.826 20 0 GDADRO C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000671071424 531845096 /nfs/dbraw/zinc/84/50/96/531845096.db2.gz NRICFZDKYNZVSI-XUJVJEKNSA-N 1 0 381.464 1.729 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000563443422 531845697 /nfs/dbraw/zinc/84/56/97/531845697.db2.gz WSFOLJQLNASCKG-QWHCGFSZSA-N 1 0 378.281 1.067 20 0 GDADRO C[C@]1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CCC[NH2+]C1 ZINC000418823842 531846818 /nfs/dbraw/zinc/84/68/18/531846818.db2.gz ITPIJUXMCLHFGH-JOQOYGCGSA-N 1 0 394.313 1.927 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCc1ccc(Br)s1 ZINC000283265865 531846882 /nfs/dbraw/zinc/84/68/82/531846882.db2.gz CQAVZKRUEGOASC-UHFFFAOYSA-N 1 0 388.331 1.722 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@H]12 ZINC000418824878 531847293 /nfs/dbraw/zinc/84/72/93/531847293.db2.gz DIRKFLHQZGXDSQ-DZQJYWQESA-N 1 0 392.297 1.617 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418830118 531847630 /nfs/dbraw/zinc/84/76/30/531847630.db2.gz JHXLNCVKWDDZQY-MYZSUADSSA-N 1 0 378.270 1.099 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418931842 531866014 /nfs/dbraw/zinc/86/60/14/531866014.db2.gz CQAMJZKCAHCRRU-NWDGAFQWSA-N 1 0 384.274 1.153 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418934944 531866299 /nfs/dbraw/zinc/86/62/99/531866299.db2.gz CGFAXGWMNOCRQC-DZGCQCFKSA-N 1 0 396.285 1.047 20 0 GDADRO O=C(NCC1(c2ccc(Br)cc2)CCC1)C(=O)NC1CC[NH2+]CC1 ZINC000418935705 531866351 /nfs/dbraw/zinc/86/63/51/531866351.db2.gz MMHHFZFZNYDISO-UHFFFAOYSA-N 1 0 394.313 1.855 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)[C@@H]1C ZINC000563958896 531866959 /nfs/dbraw/zinc/86/69/59/531866959.db2.gz AVXLQNLTPBQDKX-NXEZZACHSA-N 1 0 380.297 1.481 20 0 GDADRO O=C(CNC(=O)CN1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1ccccc1Br ZINC000643068837 531867708 /nfs/dbraw/zinc/86/77/08/531867708.db2.gz LVZANNNWQZOBQH-WFASDCNBSA-N 1 0 395.301 1.188 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000418940920 531868154 /nfs/dbraw/zinc/86/81/54/531868154.db2.gz JWHZFZWGDZQWSE-NVBFEUDRSA-N 1 0 380.286 1.748 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418944279 531868834 /nfs/dbraw/zinc/86/88/34/531868834.db2.gz MEYFBBZINYNESJ-INIZCTEOSA-N 1 0 384.249 1.416 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCCc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000642279111 531855942 /nfs/dbraw/zinc/85/59/42/531855942.db2.gz HGMXAVYYQKCLHR-DZGCQCFKSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@@H](O)CNc1cc(NCCNS(=O)(=O)c2cccc(Cl)c2)ncn1 ZINC000298143042 531856627 /nfs/dbraw/zinc/85/66/27/531856627.db2.gz CZBJKIXKYIBTEK-LLVKDONJSA-N 1 0 385.877 1.313 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418863948 531857361 /nfs/dbraw/zinc/85/73/61/531857361.db2.gz IQAQEIQCGJCQHP-STQMWFEESA-N 1 0 385.295 1.557 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccc(Br)cn1 ZINC000418865555 531857909 /nfs/dbraw/zinc/85/79/09/531857909.db2.gz LGJNSCKKDMEPTH-QJPTWQEYSA-N 1 0 381.274 1.089 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(F)cc2I)C[C@@H]1O ZINC000563639515 531858005 /nfs/dbraw/zinc/85/80/05/531858005.db2.gz AKXWPKULAZWTNI-RYUDHWBXSA-N 1 0 378.185 1.177 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CCO1 ZINC000642351385 531858222 /nfs/dbraw/zinc/85/82/22/531858222.db2.gz NUPFCKDXXKAPIO-IAQYHMDHSA-N 1 0 388.295 1.617 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418868292 531858918 /nfs/dbraw/zinc/85/89/18/531858918.db2.gz QOIBRCSKZGTOLN-OLZOCXBDSA-N 1 0 397.317 1.258 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000418942259 531869347 /nfs/dbraw/zinc/86/93/47/531869347.db2.gz XAHLCRRLZRZMOG-QWRGUYRKSA-N 1 0 388.331 1.757 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CCO1 ZINC000642407987 531859574 /nfs/dbraw/zinc/85/95/74/531859574.db2.gz DJTMCRIKARPHQB-SKDRFNHKSA-N 1 0 382.873 1.141 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc(Br)cn1 ZINC000418873427 531860508 /nfs/dbraw/zinc/86/05/08/531860508.db2.gz XXFALMIAWBYNDX-RYUDHWBXSA-N 1 0 383.290 1.609 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000672004808 531860750 /nfs/dbraw/zinc/86/07/50/531860750.db2.gz LMPAGBQQCXDPEZ-SMDDNHRTSA-N 1 0 398.301 1.673 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000642687312 531862277 /nfs/dbraw/zinc/86/22/77/531862277.db2.gz GWCVFFRWROXUKN-CQSZACIVSA-N 1 0 398.301 1.530 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000418921466 531863343 /nfs/dbraw/zinc/86/33/43/531863343.db2.gz CVMUFIXOEYDEDV-SNVBAGLBSA-N 1 0 386.265 1.790 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000642742724 531863413 /nfs/dbraw/zinc/86/34/13/531863413.db2.gz CVQGSNJDFYINAI-UHFFFAOYSA-N 1 0 380.286 1.465 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2OC)CC[C@@H]1[NH3+] ZINC000642724557 531863818 /nfs/dbraw/zinc/86/38/18/531863818.db2.gz XZKKSNKLZQSAMR-RISCZKNCSA-N 1 0 398.301 1.660 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)NCCc2cc(Br)ccc2F)CC1 ZINC000418918846 531863857 /nfs/dbraw/zinc/86/38/57/531863857.db2.gz DOLHGILCGDCQON-UHFFFAOYSA-N 1 0 386.265 1.457 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418925566 531864533 /nfs/dbraw/zinc/86/45/33/531864533.db2.gz RTMJDZGTUPGGOX-CMPLNLGQSA-N 1 0 386.265 1.443 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418928626 531864544 /nfs/dbraw/zinc/86/45/44/531864544.db2.gz ZNRDBWOENOLJBV-CHWSQXEVSA-N 1 0 386.265 1.633 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000672454628 531865069 /nfs/dbraw/zinc/86/50/69/531865069.db2.gz QGFZWHVSQJNFAQ-ZIAGYGMSSA-N 1 0 386.543 1.152 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000418950619 531870601 /nfs/dbraw/zinc/87/06/01/531870601.db2.gz WNKGZPDVAQWLFD-SSDMNJCBSA-N 1 0 380.286 1.939 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418949341 531870647 /nfs/dbraw/zinc/87/06/47/531870647.db2.gz OCDJSWSRNQYXJU-CYBMUJFWSA-N 1 0 398.301 1.402 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000418949158 531870764 /nfs/dbraw/zinc/87/07/64/531870764.db2.gz RHCWUSWETPYHTQ-SMDDNHRTSA-N 1 0 386.265 1.838 20 0 GDADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000270452582 531870797 /nfs/dbraw/zinc/87/07/97/531870797.db2.gz JKZLFEJXHZBLOU-GJZGRUSLSA-N 1 0 389.518 1.242 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)[C@H](C)[NH3+] ZINC000564960121 531871427 /nfs/dbraw/zinc/87/14/27/531871427.db2.gz CCLOLXTVMYNNSJ-DTWKUNHWSA-N 1 0 391.280 1.553 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(I)cc1F ZINC000595239755 531871470 /nfs/dbraw/zinc/87/14/70/531871470.db2.gz YYJJIZUFWYLGMI-ZETCQYMHSA-N 1 0 379.173 1.174 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000595243716 531871733 /nfs/dbraw/zinc/87/17/33/531871733.db2.gz GTECCKHEUMZVTC-VIFPVBQESA-N 1 0 386.246 1.288 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418954819 531872399 /nfs/dbraw/zinc/87/23/99/531872399.db2.gz UDZYCWLWGDPZKV-CYBMUJFWSA-N 1 0 384.274 1.284 20 0 GDADRO COC(=O)c1cc(S(N)(=O)=O)ccc1NC[C@H](c1ccsc1)[NH+](C)C ZINC000298296857 531872778 /nfs/dbraw/zinc/87/27/78/531872778.db2.gz JNQHDOSZZOOBHF-OAHLLOKOSA-N 1 0 383.495 1.897 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c1OC ZINC000564970974 531873045 /nfs/dbraw/zinc/87/30/45/531873045.db2.gz ZBYMSAYBEKPVOA-UWVGGRQHSA-N 1 0 375.878 1.079 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000564967821 531873265 /nfs/dbraw/zinc/87/32/65/531873265.db2.gz UAJFZTJNGLETFF-OLZOCXBDSA-N 1 0 388.511 1.360 20 0 GDADRO C[NH+](C)CCCNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000298286038 531873510 /nfs/dbraw/zinc/87/35/10/531873510.db2.gz PGXGQCDVUGDYHG-UHFFFAOYSA-N 1 0 392.275 1.010 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)C[C@H]1[NH3+] ZINC000418967221 531873630 /nfs/dbraw/zinc/87/36/30/531873630.db2.gz OUVKZQSUMWWDJE-NOZJJQNGSA-N 1 0 383.279 1.939 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000625008564 531875226 /nfs/dbraw/zinc/87/52/26/531875226.db2.gz OGDIXVSLAKWLPB-ZDUSSCGKSA-N 1 0 375.441 1.832 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418976314 531875747 /nfs/dbraw/zinc/87/57/47/531875747.db2.gz SECPPSXFGPNUCN-JTQLQIEISA-N 1 0 382.262 1.041 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419033426 531884396 /nfs/dbraw/zinc/88/43/96/531884396.db2.gz CDHIWMKMFBQRRK-GWCFXTLKSA-N 1 0 382.258 1.209 20 0 GDADRO Cc1cc(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)ccc1Br ZINC000419000298 531877062 /nfs/dbraw/zinc/87/70/62/531877062.db2.gz XXQCRGYJLMIVDZ-QGZVFWFLSA-N 1 0 382.302 1.880 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1Br ZINC000419005672 531878583 /nfs/dbraw/zinc/87/85/83/531878583.db2.gz GXRIRKBQORYBCM-UTUOFQBUSA-N 1 0 398.301 1.844 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000419002154 531878723 /nfs/dbraw/zinc/87/87/23/531878723.db2.gz ZBEZRACPFRIXLJ-HUUCEWRRSA-N 1 0 398.301 1.073 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000419004526 531879233 /nfs/dbraw/zinc/87/92/33/531879233.db2.gz FKVRZKJXLXYYFY-DGCLKSJQSA-N 1 0 398.301 1.845 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC[C@H](O)C[N@H+](C)C2CC2)s1 ZINC000566108636 531880214 /nfs/dbraw/zinc/88/02/14/531880214.db2.gz XACULAVGESDZRO-AWEZNQCLSA-N 1 0 375.560 1.323 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1Br ZINC000419011112 531880208 /nfs/dbraw/zinc/88/02/08/531880208.db2.gz RTMZQFDXWWTWNU-GHMZBOCLSA-N 1 0 384.274 1.442 20 0 GDADRO C[N@H+](CCCNC(=O)C(=O)NC[C@H]1CSCCS1)Cc1ccccc1 ZINC000283620576 531880770 /nfs/dbraw/zinc/88/07/70/531880770.db2.gz WCIZVGYHYTZUTE-INIZCTEOSA-N 1 0 381.567 1.590 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(I)cc1Cl ZINC000566101938 531880845 /nfs/dbraw/zinc/88/08/45/531880845.db2.gz YEHUHWALUDSYDU-SNVBAGLBSA-N 1 0 393.656 1.578 20 0 GDADRO C[C@H](OC[C@@H](O)C[NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc(Cl)cc1 ZINC000566111658 531881081 /nfs/dbraw/zinc/88/10/81/531881081.db2.gz KQYXZMDUOXEOCQ-VBNZEHGJSA-N 1 0 377.890 1.182 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000419024460 531882989 /nfs/dbraw/zinc/88/29/89/531882989.db2.gz QHEDGQIAPCPEKV-WFASDCNBSA-N 1 0 384.318 1.986 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419024563 531883342 /nfs/dbraw/zinc/88/33/42/531883342.db2.gz QRJQLVKJQUNXIH-GFCCVEGCSA-N 1 0 382.302 1.755 20 0 GDADRO CCCS(=O)(=O)NC1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000298384709 531883381 /nfs/dbraw/zinc/88/33/81/531883381.db2.gz DMBQNBRIJVGPHM-HNNXBMFYSA-N 1 0 376.544 1.419 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419024034 531883486 /nfs/dbraw/zinc/88/34/86/531883486.db2.gz PVHBSLYLWJCTDJ-SMDDNHRTSA-N 1 0 396.285 1.457 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)C[C@H]1[NH+](C)C ZINC000270512602 531884119 /nfs/dbraw/zinc/88/41/19/531884119.db2.gz RETUGWBVLVQEOK-HZPDHXFCSA-N 1 0 385.555 1.491 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CCC2)CC[NH2+]1 ZINC000418941648 531869449 /nfs/dbraw/zinc/86/94/49/531869449.db2.gz VLECJZFJHYPLCK-CYBMUJFWSA-N 1 0 394.313 1.807 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CCC2)CC[NH2+]1 ZINC000418941649 531869500 /nfs/dbraw/zinc/86/95/00/531869500.db2.gz VLECJZFJHYPLCK-ZDUSSCGKSA-N 1 0 394.313 1.807 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418945357 531869644 /nfs/dbraw/zinc/86/96/44/531869644.db2.gz KAASAPWNVGLZNV-QWHCGFSZSA-N 1 0 396.285 1.012 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000646996783 531893032 /nfs/dbraw/zinc/89/30/32/531893032.db2.gz XYMFMHZBIDJZCC-YUSALJHKSA-N 1 0 394.269 1.820 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368104226 531893995 /nfs/dbraw/zinc/89/39/95/531893995.db2.gz CVLKPUKYLQPWMN-JKSUJKDBSA-N 1 0 385.917 1.370 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419058906 531894872 /nfs/dbraw/zinc/89/48/72/531894872.db2.gz WSQZGKBXHFRISG-ZFWWWQNUSA-N 1 0 396.329 1.954 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419058904 531895180 /nfs/dbraw/zinc/89/51/80/531895180.db2.gz WSQZGKBXHFRISG-HIFRSBDPSA-N 1 0 396.329 1.954 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2sc3c(c2I)CNC3)C1 ZINC000595948588 531895132 /nfs/dbraw/zinc/89/51/32/531895132.db2.gz SLBHKZPDQSICJR-YUMQZZPRSA-N 1 0 391.278 1.765 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419058903 531895216 /nfs/dbraw/zinc/89/52/16/531895216.db2.gz WSQZGKBXHFRISG-DZGCQCFKSA-N 1 0 396.329 1.954 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419058238 531895570 /nfs/dbraw/zinc/89/55/70/531895570.db2.gz VYXGHPAECCILDW-KGLIPLIRSA-N 1 0 382.302 1.707 20 0 GDADRO O=C(NCC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000647707696 531896121 /nfs/dbraw/zinc/89/61/21/531896121.db2.gz BSRXTFOKMLQYDZ-OLZOCXBDSA-N 1 0 386.279 1.391 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000625509043 531899725 /nfs/dbraw/zinc/89/97/25/531899725.db2.gz GAAOOPTXSBBMAB-AWEZNQCLSA-N 1 0 391.896 1.846 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419079328 531897592 /nfs/dbraw/zinc/89/75/92/531897592.db2.gz USGXERDZCGAFKG-CYBMUJFWSA-N 1 0 397.317 1.117 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419079475 531898073 /nfs/dbraw/zinc/89/80/73/531898073.db2.gz MTYPPOXXOAVERW-GFCCVEGCSA-N 1 0 382.302 1.569 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000419083727 531899159 /nfs/dbraw/zinc/89/91/59/531899159.db2.gz RSDCSJJCMRZWOV-UHFFFAOYSA-N 1 0 380.539 1.907 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000283682972 531885157 /nfs/dbraw/zinc/88/51/57/531885157.db2.gz XUWUTALZUOBEGS-NHYWBVRUSA-N 1 0 380.286 1.664 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000419038954 531885514 /nfs/dbraw/zinc/88/55/14/531885514.db2.gz GGYYKUHZVHFLLF-RKDXNWHRSA-N 1 0 378.420 1.925 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419037558 531885985 /nfs/dbraw/zinc/88/59/85/531885985.db2.gz ILEWTHGKYOJXMF-UHFFFAOYSA-N 1 0 382.675 1.997 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C[C@H](C)[NH2+]1 ZINC000419040485 531887240 /nfs/dbraw/zinc/88/72/40/531887240.db2.gz MMSAGPLKSQIFJX-WDMOLILDSA-N 1 0 396.285 1.598 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000419042558 531888100 /nfs/dbraw/zinc/88/81/00/531888100.db2.gz LVBIVNLJXAFTFN-ZJUUUORDSA-N 1 0 378.420 1.940 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1ccc(Br)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000419042477 531888287 /nfs/dbraw/zinc/88/82/87/531888287.db2.gz PLILHVIVSSKPGW-ZYHUDNBSSA-N 1 0 386.265 1.709 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419081250 531899424 /nfs/dbraw/zinc/89/94/24/531899424.db2.gz RLKOWBFXDWFCBG-SWLSCSKDSA-N 1 0 394.313 1.711 20 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ZINC000283875137 531905040 /nfs/dbraw/zinc/90/50/40/531905040.db2.gz AKASTCGJZKEYEO-CABCVRRESA-N 1 0 386.539 1.702 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000596049861 531905357 /nfs/dbraw/zinc/90/53/57/531905357.db2.gz JGVVQJFPSRHCGT-CYBMUJFWSA-N 1 0 377.260 1.266 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000419156152 531905903 /nfs/dbraw/zinc/90/59/03/531905903.db2.gz UYVSGAVVDKMJHP-FPMFFAJLSA-N 1 0 380.286 1.694 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cc(F)ccc2Br)C1 ZINC000419160628 531906318 /nfs/dbraw/zinc/90/63/18/531906318.db2.gz QBUZOLMCCYWIET-NSHDSACASA-N 1 0 386.265 1.662 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)[C@H](C[NH3+])C1 ZINC000567986877 531906394 /nfs/dbraw/zinc/90/63/94/531906394.db2.gz HRBUAEDTCWPZSE-OAHLLOKOSA-N 1 0 398.326 1.866 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c(Br)c1 ZINC000596052767 531906955 /nfs/dbraw/zinc/90/69/55/531906955.db2.gz YCLSZSMIBFYGQM-ZDUSSCGKSA-N 1 0 377.260 1.266 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCc2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000419162068 531907508 /nfs/dbraw/zinc/90/75/08/531907508.db2.gz SZDUIHHEDLBRQX-ZYHUDNBSSA-N 1 0 386.265 1.648 20 0 GDADRO CCCN(C(=O)C(=O)NCc1cc(Br)ccc1C)[C@@H]1CC[NH2+]C1 ZINC000419171362 531908411 /nfs/dbraw/zinc/90/84/11/531908411.db2.gz XMWKDCLCSSCKFK-OAHLLOKOSA-N 1 0 382.302 1.974 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000568512590 531909097 /nfs/dbraw/zinc/90/90/97/531909097.db2.gz WVDGMNXVJBGJPK-GFCCVEGCSA-N 1 0 375.288 1.433 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000419193390 531911530 /nfs/dbraw/zinc/91/15/30/531911530.db2.gz QRHZKTOQVLTIRD-LSDHHAIUSA-N 1 0 398.301 1.073 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000419194112 531911829 /nfs/dbraw/zinc/91/18/29/531911829.db2.gz RXINLMHSRGSNNS-CQSZACIVSA-N 1 0 382.302 1.695 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccccc1Br ZINC000675816739 531911807 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CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccnc1OCC(F)F ZINC000647900195 531902565 /nfs/dbraw/zinc/90/25/65/531902565.db2.gz KURGDICMCJYLGQ-STQMWFEESA-N 1 0 375.441 1.973 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)C[C@H](C[NH3+])OC)C[C@@H]1c1ccc(Br)cc1 ZINC000567823139 531902609 /nfs/dbraw/zinc/90/26/09/531902609.db2.gz JZIPDPCNVFTMOX-KFWWJZLASA-N 1 0 399.285 1.528 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000368312411 531903615 /nfs/dbraw/zinc/90/36/15/531903615.db2.gz LZMOFKYVMJNYMP-SMDDNHRTSA-N 1 0 388.331 1.888 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)NCCCc1ccc(Br)cc1OC ZINC000419146744 531903869 /nfs/dbraw/zinc/90/38/69/531903869.db2.gz HVKORXDWHCVDSH-UHFFFAOYSA-N 1 0 386.290 1.232 20 0 GDADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625547098 531904414 /nfs/dbraw/zinc/90/44/14/531904414.db2.gz GXCNMNURLOKMCX-MRXNPFEDSA-N 1 0 382.302 1.772 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCc2cc(F)ccc2Br)C1 ZINC000419146771 531904893 /nfs/dbraw/zinc/90/48/93/531904893.db2.gz ICVKBCNSBJBBMM-NSHDSACASA-N 1 0 386.265 1.792 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)NCCOc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000419251588 531917591 /nfs/dbraw/zinc/91/75/91/531917591.db2.gz AZXFMHGDIBWHDZ-QGZVFWFLSA-N 1 0 398.301 1.450 20 0 GDADRO COc1cc(NC(=O)N(C)CCOCC[NH3+])cc(OC)c1Br ZINC000625875177 531917648 /nfs/dbraw/zinc/91/76/48/531917648.db2.gz KXGDUYLWVCDVFX-UHFFFAOYSA-N 1 0 376.251 1.905 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000419251951 531917901 /nfs/dbraw/zinc/91/79/01/531917901.db2.gz BNEDEIOZQVRFSD-SMDDNHRTSA-N 1 0 384.274 1.140 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000419251553 531918177 /nfs/dbraw/zinc/91/81/77/531918177.db2.gz AZGBAFZTGBAHNR-WCQYABFASA-N 1 0 384.274 1.188 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(Br)cc(F)c3C(N)=O)CC2)C1 ZINC000678312913 531919038 /nfs/dbraw/zinc/91/90/38/531919038.db2.gz OOTBQEGOSHNXBZ-ZDUSSCGKSA-N 1 0 399.308 1.903 20 0 GDADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419289912 531921763 /nfs/dbraw/zinc/92/17/63/531921763.db2.gz VCVYCAPWKDKGMO-BXUZGUMPSA-N 1 0 388.295 1.535 20 0 GDADRO CCC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)c1ccc(Cl)c(Cl)c1 ZINC000419301218 531923151 /nfs/dbraw/zinc/92/31/51/531923151.db2.gz KNAACOWUCOXYTN-AWEZNQCLSA-N 1 0 376.284 1.730 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419304129 531923387 /nfs/dbraw/zinc/92/33/87/531923387.db2.gz UHBOQUATYNXSFF-MEBBXXQBSA-N 1 0 382.302 1.796 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419332702 531924256 /nfs/dbraw/zinc/92/42/56/531924256.db2.gz LCCKVSSINGHEQJ-MFKMUULPSA-N 1 0 380.901 1.723 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)C[C@@H](C)[NH2+]1 ZINC000419340033 531924746 /nfs/dbraw/zinc/92/47/46/531924746.db2.gz VYGODSDMQFYGGX-GHMZBOCLSA-N 1 0 380.901 1.817 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)C[C@H](C)[NH2+]1 ZINC000419340035 531924846 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C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419238695 531916563 /nfs/dbraw/zinc/91/65/63/531916563.db2.gz DOGUSJPYVNGMSO-LBPRGKRZSA-N 1 0 386.315 1.780 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419359872 531930096 /nfs/dbraw/zinc/93/00/96/531930096.db2.gz RAIRTEGHWJZQSM-WDEREUQCSA-N 1 0 384.274 1.270 20 0 GDADRO CCCN(C(=O)C(=O)NCCOc1ncc(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000419402710 531931321 /nfs/dbraw/zinc/93/13/21/531931321.db2.gz PCFYBUKVDVRBQV-LBPRGKRZSA-N 1 0 389.283 1.484 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000456733912 531932988 /nfs/dbraw/zinc/93/29/88/531932988.db2.gz VSGXSONQDSRSGO-SWLSCSKDSA-N 1 0 385.302 1.819 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1Br ZINC000419441792 531933046 /nfs/dbraw/zinc/93/30/46/531933046.db2.gz NERQKBQWOGOHGV-SMDDNHRTSA-N 1 0 398.301 1.660 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000368773031 531933308 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CS(=O)(=O)c1ccc(CNC[C@H](O)C[NH+]2CCCC2)cc1C(F)(F)F ZINC000629580382 531984207 /nfs/dbraw/zinc/98/42/07/531984207.db2.gz WHWMOIAWVGZUDT-ZDUSSCGKSA-N 1 0 380.432 1.655 20 0 GDADRO O=S(=O)(NCCNC[C@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000629581332 531984267 /nfs/dbraw/zinc/98/42/67/531984267.db2.gz WJNALPXYIHMMHM-LBPRGKRZSA-N 1 0 396.340 1.318 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CC[NH+](CC2CC2)CC1 ZINC000573422984 531984591 /nfs/dbraw/zinc/98/45/91/531984591.db2.gz ZYXLAFPPBOJQDL-UHFFFAOYSA-N 1 0 383.290 1.348 20 0 GDADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000419915088 531985159 /nfs/dbraw/zinc/98/51/59/531985159.db2.gz CCTUUBPIKUQNAL-MNOVXSKESA-N 1 0 386.315 1.900 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000419912015 531985344 /nfs/dbraw/zinc/98/53/44/531985344.db2.gz VLLNOTWPLSVNHE-UHFFFAOYSA-N 1 0 382.302 1.758 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419937219 531987915 /nfs/dbraw/zinc/98/79/15/531987915.db2.gz MTZDDNACSRLYNQ-CQSZACIVSA-N 1 0 398.301 1.545 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419954066 531989527 /nfs/dbraw/zinc/98/95/27/531989527.db2.gz PYEWENQGIQJMRE-YPMHNXCESA-N 1 0 388.295 1.945 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000419954853 531989612 /nfs/dbraw/zinc/98/96/12/531989612.db2.gz MJUWQOLPBXFCDN-LKFCYVNXSA-N 1 0 392.258 1.743 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000419950721 531990180 /nfs/dbraw/zinc/99/01/80/531990180.db2.gz HOCRDAFJCJOEDF-IINYFYTJSA-N 1 0 386.265 1.963 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000419960343 531990734 /nfs/dbraw/zinc/99/07/34/531990734.db2.gz YBHPQGHZOPEDPH-CQSZACIVSA-N 1 0 390.242 1.368 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)ccc1Cl ZINC000631090397 531997268 /nfs/dbraw/zinc/99/72/68/531997268.db2.gz RCLYXBQSIHRYLF-HOTGVXAUSA-N 1 0 387.933 1.720 20 0 GDADRO 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COc1cc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)ccc1S(C)(=O)=O ZINC000271445269 532016391 /nfs/dbraw/zinc/01/63/91/532016391.db2.gz HGWJIQQFTXYYNQ-LBPRGKRZSA-N 1 0 378.516 1.077 20 0 GDADRO O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NCCC[NH2+]C2CC2)c1 ZINC000420451932 532015839 /nfs/dbraw/zinc/01/58/39/532015839.db2.gz RKVYGCVUGJWJHL-UHFFFAOYSA-N 1 0 379.404 1.399 20 0 GDADRO [NH3+]CC[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1)C(F)F ZINC000420462090 532019015 /nfs/dbraw/zinc/01/90/15/532019015.db2.gz MOISPWVINMAAHY-ZDUSSCGKSA-N 1 0 379.404 1.323 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1F ZINC000599244584 532017901 /nfs/dbraw/zinc/01/79/01/532017901.db2.gz NMAALSIXYSAPBK-PWSUYJOCSA-N 1 0 376.425 1.855 20 0 GDADRO CCC1(CC)[C@H](NS(=O)(=O)CCCN2CC[NH+](C)CC2)[C@@H](C)[C@H]1OC ZINC000632173300 532018042 /nfs/dbraw/zinc/01/80/42/532018042.db2.gz AANVJUWCGFASQA-BRWVUGGUSA-N 1 0 375.579 1.383 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cs1 ZINC000420465991 532019510 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C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332272261 532176773 /nfs/dbraw/zinc/17/67/73/532176773.db2.gz CQIPFCMBDWPYKQ-AEJSXWLSSA-N 1 0 395.344 1.853 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[N@@H+]1C ZINC000332512999 532191297 /nfs/dbraw/zinc/19/12/97/532191297.db2.gz VPPVKUMFDOUPCK-YPMHNXCESA-N 1 0 393.285 1.758 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000332521566 532192440 /nfs/dbraw/zinc/19/24/40/532192440.db2.gz ZJQGGSBGOKRCAZ-ABAIWWIYSA-N 1 0 380.286 1.448 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3cccc(Br)c3C2)CC[NH2+]1 ZINC000332520594 532192784 /nfs/dbraw/zinc/19/27/84/532192784.db2.gz YZLHUKOIEPMIMH-DGCLKSJQSA-N 1 0 380.286 1.591 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332540849 532193060 /nfs/dbraw/zinc/19/30/60/532193060.db2.gz CUNQNRJTODPDBA-WDEREUQCSA-N 1 0 384.249 1.903 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000332528792 532193842 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380.576 1.099 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)CC[C@@H]1[NH3+] ZINC000332598575 532199488 /nfs/dbraw/zinc/19/94/88/532199488.db2.gz MPPFJLUNSXMMGC-NHYWBVRUSA-N 1 0 380.286 1.530 20 0 GDADRO Cn1ncc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c1Br ZINC000274125413 532187231 /nfs/dbraw/zinc/18/72/31/532187231.db2.gz BOGXXDLDGNJQDQ-UHFFFAOYSA-N 1 0 393.289 1.259 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000274134732 532188193 /nfs/dbraw/zinc/18/81/93/532188193.db2.gz AEKGRAUSYOGQEO-UHFFFAOYSA-N 1 0 384.274 1.915 20 0 GDADRO CN1C(=O)C[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000375965000 532189745 /nfs/dbraw/zinc/18/97/45/532189745.db2.gz ZGOYMILIOSBNGU-NUTKFTJISA-N 1 0 385.917 1.483 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000375940427 532190293 /nfs/dbraw/zinc/19/02/93/532190293.db2.gz GGCUOAOBEYKIDO-UKRRQHHQSA-N 1 0 383.539 1.286 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000332504062 532190818 /nfs/dbraw/zinc/19/08/18/532190818.db2.gz SBEISQCJNPHPJY-ZUZCIYMTSA-N 1 0 398.276 1.730 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cccc(C(N)=O)c1 ZINC000428442766 532207621 /nfs/dbraw/zinc/20/76/21/532207621.db2.gz NWMSLRPSYINYFL-GFCCVEGCSA-N 1 0 378.270 1.931 20 0 GDADRO [NH3+]CCCNC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000428478964 532209230 /nfs/dbraw/zinc/20/92/30/532209230.db2.gz XGBMIQAOLOYHPM-UHFFFAOYSA-N 1 0 379.507 1.574 20 0 GDADRO C[C@H](C[NH3+])NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC000274420677 532209545 /nfs/dbraw/zinc/20/95/45/532209545.db2.gz LFSFHBMWUZZPKB-SSDOTTSWSA-N 1 0 387.259 1.757 20 0 GDADRO Cc1nc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(Br)n1C ZINC000376357437 532210698 /nfs/dbraw/zinc/21/06/98/532210698.db2.gz FPHPEYWBNSNYCV-PWSUYJOCSA-N 1 0 391.335 1.738 20 0 GDADRO O=C(c1ccc(F)c(Br)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428594863 532211428 /nfs/dbraw/zinc/21/14/28/532211428.db2.gz DOTNOWQFDFFOIQ-ZDUSSCGKSA-N 1 0 398.276 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C[NH+](C)[C@@]1(CNC(=O)NCCCn2cc(Br)cn2)CCSC1 ZINC000287614064 532227580 /nfs/dbraw/zinc/22/75/80/532227580.db2.gz MKAZLYBYSDEORP-CQSZACIVSA-N 1 0 390.351 1.772 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000376757744 532228186 /nfs/dbraw/zinc/22/81/86/532228186.db2.gz YISJJTFUNXNWSY-INIZCTEOSA-N 1 0 387.527 1.411 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000376757746 532228199 /nfs/dbraw/zinc/22/81/99/532228199.db2.gz YISJJTFUNXNWSY-MRXNPFEDSA-N 1 0 387.527 1.411 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000429450427 532228308 /nfs/dbraw/zinc/22/83/08/532228308.db2.gz WJFSSOYKGMVFQU-CYBMUJFWSA-N 1 0 380.436 1.900 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000429403392 532228445 /nfs/dbraw/zinc/22/84/45/532228445.db2.gz FFKWNEBSQGUOTL-LZWOXQAQSA-N 1 0 385.555 1.295 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1Br ZINC000333304449 532229356 /nfs/dbraw/zinc/22/93/56/532229356.db2.gz QOZNLIIQJGMZHE-UHFFFAOYSA-N 1 0 375.288 1.974 20 0 GDADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)COC3C[NH2+]C3)n2)cc1 ZINC000429775594 532233662 /nfs/dbraw/zinc/23/36/62/532233662.db2.gz QEKLHTCDOUNKIR-UHFFFAOYSA-N 1 0 382.467 1.109 20 0 GDADRO CC[C@@H](C)[N@H+](CCO)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000287506164 532219327 /nfs/dbraw/zinc/21/93/27/532219327.db2.gz UHHMWNSNAADSLO-GFCCVEGCSA-N 1 0 386.290 1.597 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCOC1 ZINC000274639605 532221546 /nfs/dbraw/zinc/22/15/46/532221546.db2.gz YOZSKAOTNKNPRX-NWDGAFQWSA-N 1 0 389.905 1.543 20 0 GDADRO Cc1cc(CC(C)(C)[NH2+]CC(=O)N2CCNC(=O)C2)ccc1Br ZINC000429235542 532225911 /nfs/dbraw/zinc/22/59/11/532225911.db2.gz JVLCTADJKQWCNE-UHFFFAOYSA-N 1 0 382.302 1.627 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)cc1F ZINC000274699461 532226230 /nfs/dbraw/zinc/22/62/30/532226230.db2.gz XYDZZDHTYYHINO-UHFFFAOYSA-N 1 0 393.506 1.302 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000376722231 532226257 /nfs/dbraw/zinc/22/62/57/532226257.db2.gz IGKOWKCGHHNUPA-ZDUSSCGKSA-N 1 0 388.331 1.426 20 0 GDADRO O=C(Nc1nc2c(s1)CSCC2)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000376708336 532226415 /nfs/dbraw/zinc/22/64/15/532226415.db2.gz AUXLRSRTDIEECH-GFCCVEGCSA-N 1 0 380.539 1.815 20 0 GDADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000333608340 532242159 /nfs/dbraw/zinc/24/21/59/532242159.db2.gz WHAUYNIJFHXQKL-CQSZACIVSA-N 1 0 385.555 1.722 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 ZINC000377129035 532243665 /nfs/dbraw/zinc/24/36/65/532243665.db2.gz SOOINRMANDEELY-HIFRSBDPSA-N 1 0 385.555 1.877 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)C1 ZINC000333660938 532244136 /nfs/dbraw/zinc/24/41/36/532244136.db2.gz LOKHITFMBHEGEO-KFWWJZLASA-N 1 0 395.301 1.902 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)C3CN(C(=O)c4cccc(Cl)c4)C3)C[C@@H]21 ZINC000333696533 532244655 /nfs/dbraw/zinc/24/46/55/532244655.db2.gz NGILFWDDYUPHOU-CJNGLKHVSA-N 1 0 383.901 1.130 20 0 GDADRO [NH3+]C1CCC(NC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)CC1 ZINC000333690065 532244948 /nfs/dbraw/zinc/24/49/48/532244948.db2.gz PQJTXXBKTFVCPX-YMAMQOFZSA-N 1 0 395.301 1.902 20 0 GDADRO CN(C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C1CC[NH2+]CC1 ZINC000333747926 532248364 /nfs/dbraw/zinc/24/83/64/532248364.db2.gz JPUJVEARNIJABW-CYBMUJFWSA-N 1 0 386.543 1.295 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC[NH2+]1 ZINC000333769926 532249245 /nfs/dbraw/zinc/24/92/45/532249245.db2.gz BWLQMGUNQHCZFE-UWVGGRQHSA-N 1 0 378.424 1.529 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)nc12 ZINC000333779232 532249885 /nfs/dbraw/zinc/24/98/85/532249885.db2.gz KPDAYAIKKCPJLA-BETUJISGSA-N 1 0 392.301 1.809 20 0 GDADRO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC[C@@H]1[NH3+] ZINC000333813846 532250786 /nfs/dbraw/zinc/25/07/86/532250786.db2.gz PZBVUTMQYKPDIN-MCIONIFRSA-N 1 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ZINC000288022586 532258270 /nfs/dbraw/zinc/25/82/70/532258270.db2.gz CGOIPNQADJDBDX-OAHLLOKOSA-N 1 0 399.337 1.067 20 0 GDADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333960706 532259323 /nfs/dbraw/zinc/25/93/23/532259323.db2.gz LHIICAPSNGJIST-YPMHNXCESA-N 1 0 381.270 1.831 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431040379 532259502 /nfs/dbraw/zinc/25/95/02/532259502.db2.gz WRVAHTODHRIWJF-UHFFFAOYSA-N 1 0 386.539 1.471 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000334013195 532260419 /nfs/dbraw/zinc/26/04/19/532260419.db2.gz WSNPCXXMPDTBRJ-QWHCGFSZSA-N 1 0 379.258 1.560 20 0 GDADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)S(=O)(=O)C[C@@H]1CCOC1 ZINC000431275763 532262555 /nfs/dbraw/zinc/26/25/55/532262555.db2.gz RZPKNSVVHPYOHX-HZPDHXFCSA-N 1 0 376.519 1.092 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378235984 532283285 /nfs/dbraw/zinc/28/32/85/532283285.db2.gz XZCRAMILXQTQJN-LBPRGKRZSA-N 1 0 379.262 1.491 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000378220931 532283695 /nfs/dbraw/zinc/28/36/95/532283695.db2.gz CZMCKLZUZAFXFH-PBHICJAKSA-N 1 0 386.539 1.633 20 0 GDADRO C[N@@H+]1C[C@H](NC(=O)Cn2cc(Br)ccc2=O)[C@H](c2ccccc2)C1 ZINC000378311516 532284354 /nfs/dbraw/zinc/28/43/54/532284354.db2.gz QPVPKSPRILMUHH-HOTGVXAUSA-N 1 0 390.281 1.825 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(I)cc2)C1 ZINC000382498308 532295165 /nfs/dbraw/zinc/29/51/65/532295165.db2.gz KCIKBKNSVHDHDV-WDEREUQCSA-N 1 0 380.251 1.839 20 0 GDADRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2ccc(I)cc2)[C@H]1C ZINC000379491086 532295171 /nfs/dbraw/zinc/29/51/71/532295171.db2.gz GXGVVQIFWGCCMB-UWVGGRQHSA-N 1 0 380.251 1.662 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)s1 ZINC000288539989 532295435 /nfs/dbraw/zinc/29/54/35/532295435.db2.gz QDHOXGQYBUPWKV-CHWSQXEVSA-N 1 0 389.543 1.138 20 0 GDADRO [NH3+]CC[C@H](NS(=O)(=O)c1ccc(I)cc1)C(F)F ZINC000383437813 532295661 /nfs/dbraw/zinc/29/56/61/532295661.db2.gz IYVQFWLUZPIAJV-VIFPVBQESA-N 1 0 390.193 1.552 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)c1ccc(Br)cn1 ZINC000288532171 532295670 /nfs/dbraw/zinc/29/56/70/532295670.db2.gz IQXLCYJOKYJQHO-LBPRGKRZSA-N 1 0 397.317 1.964 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cnn2cc(Br)cnc12 ZINC000288569516 532297538 /nfs/dbraw/zinc/29/75/38/532297538.db2.gz QSPTUHURKCXERH-GFCCVEGCSA-N 1 0 382.262 1.068 20 0 GDADRO COc1cccc(OC)c1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000275515062 532298867 /nfs/dbraw/zinc/29/88/67/532298867.db2.gz UGOUFLUIOPSEON-CZUORRHYSA-N 1 0 386.539 1.904 20 0 GDADRO O=C(Nc1cccc(F)c1I)C(=O)N1CCC[NH2+]CC1 ZINC000394446975 532301506 /nfs/dbraw/zinc/30/15/06/532301506.db2.gz JJHLTVXUMPKCCA-UHFFFAOYSA-N 1 0 391.184 1.191 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(I)c(Cl)c1 ZINC000394080575 532301533 /nfs/dbraw/zinc/30/15/33/532301533.db2.gz HKILYXFFWRTNKN-SNVBAGLBSA-N 1 0 393.656 1.578 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000289449802 532324300 /nfs/dbraw/zinc/32/43/00/532324300.db2.gz KXHRBNIGQZYGFS-UHFFFAOYSA-N 1 0 376.906 1.612 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000289438950 532324486 /nfs/dbraw/zinc/32/44/86/532324486.db2.gz ANKZPEHYVRBMSM-CYBMUJFWSA-N 1 0 385.917 1.949 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(CCNC(=O)OC)s2)C1 ZINC000276278192 532325424 /nfs/dbraw/zinc/32/54/24/532325424.db2.gz WDGREEGVOJYCIP-ZDUSSCGKSA-N 1 0 389.543 1.609 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000288824153 532308859 /nfs/dbraw/zinc/30/88/59/532308859.db2.gz GTABNQVBOITDKD-CJNGLKHVSA-N 1 0 389.327 1.962 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000275843457 532312041 /nfs/dbraw/zinc/31/20/41/532312041.db2.gz GECRFEMAKAVWDG-UHFFFAOYSA-N 1 0 388.262 1.139 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000289064276 532314689 /nfs/dbraw/zinc/31/46/89/532314689.db2.gz AYXLXYBHQDNXMC-ZJUUUORDSA-N 1 0 378.420 1.940 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000289129444 532316351 /nfs/dbraw/zinc/31/63/51/532316351.db2.gz GFDJGIJGTAUTSB-SECBINFHSA-N 1 0 378.420 1.892 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000276182706 532322050 /nfs/dbraw/zinc/32/20/50/532322050.db2.gz FPKGHOFQOMUKSY-QWHCGFSZSA-N 1 0 389.543 1.750 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276301100 532326705 /nfs/dbraw/zinc/32/67/05/532326705.db2.gz BHRMIVGVXNHIJX-LBPRGKRZSA-N 1 0 377.532 1.655 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000289525385 532327126 /nfs/dbraw/zinc/32/71/26/532327126.db2.gz IWSKUXMWUOLGJX-UHFFFAOYSA-N 1 0 393.303 1.591 20 0 GDADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289553277 532327683 /nfs/dbraw/zinc/32/76/83/532327683.db2.gz QJEXJWUCNYAPSV-AWEZNQCLSA-N 1 0 380.290 1.526 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000289597882 532329083 /nfs/dbraw/zinc/32/90/83/532329083.db2.gz UTPZTGPUXMKEHX-LLVKDONJSA-N 1 0 387.303 1.468 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289679800 532330681 /nfs/dbraw/zinc/33/06/81/532330681.db2.gz AVALLHGWZJRDRO-UHFFFAOYSA-N 1 0 389.319 1.858 20 0 GDADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289895729 532333633 /nfs/dbraw/zinc/33/36/33/532333633.db2.gz MRPBVZKMBYEHEJ-CQSZACIVSA-N 1 0 382.295 1.690 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCO[C@H]3C)CC2)cc1 ZINC000359977373 209209162 /nfs/dbraw/zinc/20/91/62/209209162.db2.gz KODYQEIVGFQKSX-SCLBCKFNSA-N 1 0 381.498 1.565 20 0 GDADRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(=O)oc4cc(OC)ccc34)C2)nn1 ZINC000359976038 209209408 /nfs/dbraw/zinc/20/94/08/209209408.db2.gz SQGXRABZNSVFCS-ZDUSSCGKSA-N 1 0 384.392 1.627 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 ZINC000359961253 209207324 /nfs/dbraw/zinc/20/73/24/209207324.db2.gz RLYRUMGEQAQKPY-WBVHZDCISA-N 1 0 388.443 1.192 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000071972524 211066413 /nfs/dbraw/zinc/06/64/13/211066413.db2.gz NKIZGVGCRPXRET-ZDUSSCGKSA-N 1 0 375.922 1.510 20 0 GDADRO CC(=O)Nc1ccc(C)c(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000071972531 211065729 /nfs/dbraw/zinc/06/57/29/211065729.db2.gz WOEMVRCMLKKHAK-AWEZNQCLSA-N 1 0 382.530 1.115 20 0 GDADRO Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)ccc1Br ZINC000228994662 525138985 /nfs/dbraw/zinc/13/89/85/525138985.db2.gz KIXVOVNUQHVTFB-INIZCTEOSA-N 1 0 395.257 1.370 20 0 GDADRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000238015438 570419552 /nfs/dbraw/zinc/41/95/52/570419552.db2.gz DYQJRNLUFOMUPR-RDTXWAMCSA-N 1 0 389.496 1.921 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000737546690 598827902 /nfs/dbraw/zinc/82/79/02/598827902.db2.gz FYFJPCYZVJGDJS-JSGCOSHPSA-N 1 0 381.440 1.868 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000737523826 598851817 /nfs/dbraw/zinc/85/18/17/598851817.db2.gz JKRLZLKIROKPBU-CQSZACIVSA-N 1 0 380.456 1.892 20 0 GDADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736456130 598871784 /nfs/dbraw/zinc/87/17/84/598871784.db2.gz CHIBCILKASOBND-UHFFFAOYSA-N 1 0 382.465 1.549 20 0 GDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000736772052 598922573 /nfs/dbraw/zinc/92/25/73/598922573.db2.gz VQJGBVLAUJLYBE-MDZDMXLPSA-N 1 0 391.435 1.679 20 0 GDADRO CN1CC[NH+](CC2CCN(c3ncc(-c4nn[nH]n4)cc3Cl)CC2)CC1 ZINC000736862762 598938659 /nfs/dbraw/zinc/93/86/59/598938659.db2.gz FPEAXAHSIUSBOS-UHFFFAOYSA-N 1 0 376.896 1.379 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735537005 598944768 /nfs/dbraw/zinc/94/47/68/598944768.db2.gz LBMWYQMPLVQNNF-HZPDHXFCSA-N 1 0 399.499 1.063 20 0 GDADRO Cc1nc2ncnn2c(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000737491065 598956019 /nfs/dbraw/zinc/95/60/19/598956019.db2.gz ZTOMSHFEIUQHSZ-UHFFFAOYSA-N 1 0 390.455 1.243 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000737003528 598974518 /nfs/dbraw/zinc/97/45/18/598974518.db2.gz XJFUXRKVCGIJOK-INIZCTEOSA-N 1 0 385.472 1.261 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000737224102 598999193 /nfs/dbraw/zinc/99/91/93/598999193.db2.gz NABITOBKZOXHTE-UHFFFAOYSA-N 1 0 392.529 1.966 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736767062 599006255 /nfs/dbraw/zinc/00/62/55/599006255.db2.gz KIODOPCBORSPER-UHFFFAOYSA-N 1 0 387.394 1.744 20 0 GDADRO CC1CCC([NH+]2CCN(C(=O)COc3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736238781 599016765 /nfs/dbraw/zinc/01/67/65/599016765.db2.gz DAVFEKRMWWGWCT-UHFFFAOYSA-N 1 0 384.484 1.968 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCCN(CCOC[C@H]2CCCO2)CC1 ZINC000738405414 599049832 /nfs/dbraw/zinc/04/98/32/599049832.db2.gz OQUAFHLRYRIWHX-LJQANCHMSA-N 1 0 386.500 1.570 20 0 GDADRO NC(=O)[C@@H]([NH2+]CCCCOc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731187 599089272 /nfs/dbraw/zinc/08/92/72/599089272.db2.gz PSFKJTWYHNPEHC-KRWDZBQOSA-N 1 0 384.415 1.981 20 0 GDADRO CC(C)Oc1ccc([C@@H](O)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735915878 599178675 /nfs/dbraw/zinc/17/86/75/599178675.db2.gz UJCMRAJBWKLIAR-GUYCJALGSA-N 1 0 398.471 1.215 20 0 GDADRO CC(C)Oc1cccc([C@H](O)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735913820 599212152 /nfs/dbraw/zinc/21/21/52/599212152.db2.gz RJUMUSDOSNOODK-CXAGYDPISA-N 1 0 398.471 1.215 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000820908533 599227982 /nfs/dbraw/zinc/22/79/82/599227982.db2.gz NEYUAYYHPXHVPC-LBPRGKRZSA-N 1 0 395.920 1.605 20 0 GDADRO CC[C@H]1CN(C(=O)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000736407098 599240745 /nfs/dbraw/zinc/24/07/45/599240745.db2.gz FATCGTKKYRPERT-PBHICJAKSA-N 1 0 387.488 1.680 20 0 GDADRO Cc1c(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822053621 607272462 /nfs/dbraw/zinc/27/24/62/607272462.db2.gz PFUVKTFDDLAZJH-ZIAGYGMSSA-N 1 0 399.499 1.598 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cccc1-c1nn[nH]n1 ZINC000822045051 607276078 /nfs/dbraw/zinc/27/60/78/607276078.db2.gz OKIGVPSPBNIBOT-HNNXBMFYSA-N 1 0 397.483 1.591 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cccc1-c1nn[nH]n1 ZINC000822054445 607274583 /nfs/dbraw/zinc/27/45/83/607274583.db2.gz ZGSYORXWBHPSPG-CYBMUJFWSA-N 1 0 385.472 1.352 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000820710653 607319924 /nfs/dbraw/zinc/31/99/24/607319924.db2.gz RMEIWGBVYLPIPI-HNNXBMFYSA-N 1 0 399.499 1.824 20 0 GDADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1C)[NH+](C)C ZINC000736337170 599283417 /nfs/dbraw/zinc/28/34/17/599283417.db2.gz IEGVUSBWASGQGK-MRXNPFEDSA-N 1 0 387.488 1.596 20 0 GDADRO CC(C)N1C(=O)N[C@@]2(CC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)C1=O ZINC000735873915 599290943 /nfs/dbraw/zinc/29/09/43/599290943.db2.gz BRKAWDGFBHKDPQ-LJQANCHMSA-N 1 0 394.439 1.024 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)Cc1ccccc1 ZINC000821602772 607336009 /nfs/dbraw/zinc/33/60/09/607336009.db2.gz UGCLPXXLQGEPDY-UHFFFAOYSA-N 1 0 397.414 1.193 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1F)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000823319843 607337767 /nfs/dbraw/zinc/33/77/67/607337767.db2.gz ZXZQSBBHZGAUJL-ZDUSSCGKSA-N 1 0 387.419 1.031 20 0 GDADRO O=C(COc1cccc(-c2nn[nH]n2)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000737925603 598241920 /nfs/dbraw/zinc/24/19/20/598241920.db2.gz WUQBYNKHVFCIAK-UHFFFAOYSA-N 1 0 386.456 1.007 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)N1CCCCC1 ZINC000737842964 598256872 /nfs/dbraw/zinc/25/68/72/598256872.db2.gz GCBCFFIBLLVCGI-UHFFFAOYSA-N 1 0 387.463 1.530 20 0 GDADRO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738341206 598260047 /nfs/dbraw/zinc/26/00/47/598260047.db2.gz CYBOAEDJBASXLB-UHFFFAOYSA-N 1 0 399.480 1.205 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738051537 598264595 /nfs/dbraw/zinc/26/45/95/598264595.db2.gz OMTADJUTAFNDTI-RYUDHWBXSA-N 1 0 377.836 1.505 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000738101676 598269739 /nfs/dbraw/zinc/26/97/39/598269739.db2.gz KJVCHXQLBHEZQO-UHFFFAOYSA-N 1 0 385.472 1.311 20 0 GDADRO C[C@H](CNC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[N@H+](C)C1CC1 ZINC000736017191 598270292 /nfs/dbraw/zinc/27/02/92/598270292.db2.gz JYIBNEXBPBPFEX-OAHLLOKOSA-N 1 0 398.515 1.177 20 0 GDADRO C[C@H](C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736237282 598284845 /nfs/dbraw/zinc/28/48/45/598284845.db2.gz OPLNOZIIFBAGBK-RBSFLKMASA-N 1 0 384.488 1.172 20 0 GDADRO C[N@H+](CCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)Cc1ccccc1 ZINC000736799579 598319286 /nfs/dbraw/zinc/31/92/86/598319286.db2.gz AKHROLFWUAIVKL-UHFFFAOYSA-N 1 0 383.431 1.937 20 0 GDADRO CC[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000736409816 598344690 /nfs/dbraw/zinc/34/46/90/598344690.db2.gz NJQPKSPCHJORDJ-GJZGRUSLSA-N 1 0 387.488 1.236 20 0 GDADRO CC[C@@H]1CN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000736411796 598345675 /nfs/dbraw/zinc/34/56/75/598345675.db2.gz SLFXIQWADSEHIT-QGZVFWFLSA-N 1 0 387.488 1.238 20 0 GDADRO Cn1cc(CN2CCC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000737602180 598349461 /nfs/dbraw/zinc/34/94/61/598349461.db2.gz NXLZWXTZRITPJM-UHFFFAOYSA-N 1 0 382.472 1.187 20 0 GDADRO Cn1cc(CN2CCC[N@H+](CCOc3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC000737603124 598349489 /nfs/dbraw/zinc/34/94/89/598349489.db2.gz VFEDOHLIPFZCSN-UHFFFAOYSA-N 1 0 382.472 1.187 20 0 GDADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000735561566 598352746 /nfs/dbraw/zinc/35/27/46/598352746.db2.gz ZWTCOTDZNUTNSI-CQSZACIVSA-N 1 0 380.456 1.802 20 0 GDADRO COC(=O)c1coc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000736957845 598354241 /nfs/dbraw/zinc/35/42/41/598354241.db2.gz VKGICOHRVLNAME-UHFFFAOYSA-N 1 0 382.424 1.959 20 0 GDADRO Cc1ccc(N2CCC[C@@H]([N@H+](C)CCOc3ccccc3-c3nn[nH]n3)C2)nn1 ZINC000737353909 598364427 /nfs/dbraw/zinc/36/44/27/598364427.db2.gz YBXKEQFLKSBDKB-MRXNPFEDSA-N 1 0 394.483 1.945 20 0 GDADRO Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c(-c2nn[nH]n2)c1C ZINC000737523481 598422389 /nfs/dbraw/zinc/42/23/89/598422389.db2.gz YKNOUCRGHFVURD-MRXNPFEDSA-N 1 0 380.456 1.129 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000738347670 598425394 /nfs/dbraw/zinc/42/53/94/598425394.db2.gz MKEDRCDSDYGISI-NSHDSACASA-N 1 0 382.877 1.379 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2sccc2-c2nn[nH]n2)CC1 ZINC000736860559 598425762 /nfs/dbraw/zinc/42/57/62/598425762.db2.gz SPHJTDAIJOIWLT-ZDUSSCGKSA-N 1 0 375.502 1.170 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736860409 598428450 /nfs/dbraw/zinc/42/84/50/598428450.db2.gz PKMZXGLKKOJNRN-QGZVFWFLSA-N 1 0 384.488 1.501 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736323132 598429602 /nfs/dbraw/zinc/42/96/02/598429602.db2.gz URDBUDNVAHNQMH-HNNXBMFYSA-N 1 0 386.504 1.429 20 0 GDADRO Cc1nc(SCC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737485052 598462243 /nfs/dbraw/zinc/46/22/43/598462243.db2.gz YQPQXEJDBPVSBB-ZDUSSCGKSA-N 1 0 387.513 1.632 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000737005538 598466128 /nfs/dbraw/zinc/46/61/28/598466128.db2.gz BXBWCEQVYFQQPT-HNNXBMFYSA-N 1 0 392.463 1.984 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000737007593 598466420 /nfs/dbraw/zinc/46/64/20/598466420.db2.gz NULLSTQOFKGZRY-WMLDXEAASA-N 1 0 388.472 1.107 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000736133226 598466530 /nfs/dbraw/zinc/46/65/30/598466530.db2.gz GNTODCNYINIXEY-CYBMUJFWSA-N 1 0 386.481 1.968 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738024198 598498145 /nfs/dbraw/zinc/49/81/45/598498145.db2.gz JMGROJNLFRXFKA-AEFFLSMTSA-N 1 0 381.484 1.436 20 0 GDADRO CCN(CCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736536350 598519059 /nfs/dbraw/zinc/51/90/59/598519059.db2.gz AIBMEKTVMZDFEA-OAHLLOKOSA-N 1 0 381.488 1.611 20 0 GDADRO C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)COCc1ccccc1 ZINC000736026101 598524627 /nfs/dbraw/zinc/52/46/27/598524627.db2.gz PZLGTXSLLGEAQQ-ZBFHGGJFSA-N 1 0 382.472 1.547 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000738384218 598524728 /nfs/dbraw/zinc/52/47/28/598524728.db2.gz DCSFLBJRHVCYMW-MSOLQXFVSA-N 1 0 386.500 1.557 20 0 GDADRO Clc1cccc2c1OCC[C@@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737573224 598524928 /nfs/dbraw/zinc/52/49/28/598524928.db2.gz CGFRGOZXWASNFE-YGRLFVJLSA-N 1 0 386.847 1.872 20 0 GDADRO COc1ccc(CCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737086750 598525986 /nfs/dbraw/zinc/52/59/86/598525986.db2.gz BIZGTOJSYFROME-AWEZNQCLSA-N 1 0 398.471 1.345 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCN1CCCc3ccccc31)C2 ZINC000738442969 598527017 /nfs/dbraw/zinc/52/70/17/598527017.db2.gz SOPVSBUOBYUDKF-AWEZNQCLSA-N 1 0 379.472 1.147 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCc1ccc3ccccc3n1)C2 ZINC000738440692 598528663 /nfs/dbraw/zinc/52/86/63/598528663.db2.gz HYCWDFPGCHNRAY-CYBMUJFWSA-N 1 0 375.440 1.485 20 0 GDADRO CC(C)[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nnc2ccccn21 ZINC000735733261 598528783 /nfs/dbraw/zinc/52/87/83/598528783.db2.gz GKABJRFKFHDRQO-WFASDCNBSA-N 1 0 393.459 1.135 20 0 GDADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736760757 598569500 /nfs/dbraw/zinc/56/95/00/598569500.db2.gz CBQHQLQCYUHZOZ-INIZCTEOSA-N 1 0 378.436 1.765 20 0 GDADRO COC(=O)C1CC[NH+](CCCNc2ccc(Cl)c(-c3nn[nH]n3)n2)CC1 ZINC000736912844 598575232 /nfs/dbraw/zinc/57/52/32/598575232.db2.gz RKGCMOYKJOXHLZ-UHFFFAOYSA-N 1 0 379.852 1.602 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738035491 598595411 /nfs/dbraw/zinc/59/54/11/598595411.db2.gz LOTNYXZDAWXAII-NJAFHUGGSA-N 1 0 381.484 1.579 20 0 GDADRO O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000737793549 598597891 /nfs/dbraw/zinc/59/78/91/598597891.db2.gz ZRYVVFYFPHVXME-ROUUACIJSA-N 1 0 381.484 1.532 20 0 GDADRO Cc1nc(SCC(=O)N2CC[C@@H]([NH+](C)C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737485075 598600976 /nfs/dbraw/zinc/60/09/76/598600976.db2.gz ZDEBBIKNYKJIMA-CYBMUJFWSA-N 1 0 375.502 1.442 20 0 GDADRO O=C(CC[N@H+]1CCCC[C@H]1CCO)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737843574 598620561 /nfs/dbraw/zinc/62/05/61/598620561.db2.gz KSHQMTJZBAHNBE-LBPRGKRZSA-N 1 0 390.513 1.982 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000736757569 598621737 /nfs/dbraw/zinc/62/17/37/598621737.db2.gz URKUZKGRGMLOBQ-OAHLLOKOSA-N 1 0 395.471 1.017 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)CCc2c(C)nc3c(-c4nn[nH]n4)cnn3c2C)CC1 ZINC000736568079 598625735 /nfs/dbraw/zinc/62/57/35/598625735.db2.gz ABFWFFBYNNTROD-UHFFFAOYSA-N 1 0 397.487 1.013 20 0 GDADRO C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@@H+]2CCC[C@H]2C2CC2)C1=O ZINC000736222698 598671640 /nfs/dbraw/zinc/67/16/40/598671640.db2.gz JKOZDFVFYISYPP-HNAYVOBHSA-N 1 0 381.440 1.466 20 0 GDADRO Cc1nnc(N2CC[N@H+](C[C@H](O)c3ccccc3)[C@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000737520079 598673362 /nfs/dbraw/zinc/67/33/62/598673362.db2.gz HOUATYZXXQDXKG-DYVFJYSZSA-N 1 0 394.483 1.518 20 0 GDADRO Cc1nc(SCC(=O)NC[C@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737485084 598684897 /nfs/dbraw/zinc/68/48/97/598684897.db2.gz ZLABPDPTGQOWJV-CYBMUJFWSA-N 1 0 375.502 1.347 20 0 GDADRO C[N@H+](CCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)C1CC1 ZINC000736800631 598685530 /nfs/dbraw/zinc/68/55/30/598685530.db2.gz KOETZOFZMXPISN-UHFFFAOYSA-N 1 0 379.424 1.878 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCCC[C@H]1C ZINC000736267906 598689605 /nfs/dbraw/zinc/68/96/05/598689605.db2.gz QJQPFGJKPSXHKX-VXGBXAGGSA-N 1 0 382.465 1.547 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736572202 598711149 /nfs/dbraw/zinc/71/11/49/598711149.db2.gz VWZMDLHEMCSMKW-NSHDSACASA-N 1 0 384.893 1.673 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)NCCCCC[NH+]1CCCCC1 ZINC000738328952 598711644 /nfs/dbraw/zinc/71/16/44/598711644.db2.gz IHEOPKWRCHGVNH-UHFFFAOYSA-N 1 0 392.529 1.942 20 0 GDADRO c1ccc(C[C@@H](CN2CCOCC2)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000738429122 598714426 /nfs/dbraw/zinc/71/44/26/598714426.db2.gz UFGSGMYDKLGTCT-FQEVSTJZSA-N 1 0 378.480 1.900 20 0 GDADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000736478685 598717126 /nfs/dbraw/zinc/71/71/26/598717126.db2.gz AJWQKPVPVZYAPR-KRWDZBQOSA-N 1 0 386.504 1.034 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000738387179 598762718 /nfs/dbraw/zinc/76/27/18/598762718.db2.gz NSEZPVTZVYQLRH-WBVHZDCISA-N 1 0 395.467 1.435 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CCc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736853656 598769312 /nfs/dbraw/zinc/76/93/12/598769312.db2.gz ZDKLRTBBGZHUOG-KRWDZBQOSA-N 1 0 383.500 1.084 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1CCCCC1 ZINC000735690111 598818078 /nfs/dbraw/zinc/81/80/78/598818078.db2.gz HBLYNSAOZVWEPQ-SFHVURJKSA-N 1 0 398.515 1.421 20 0 GDADRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736410463 599300648 /nfs/dbraw/zinc/30/06/48/599300648.db2.gz NWIXXZAXUJOXIL-MRRJBJDNSA-N 1 0 385.472 1.430 20 0 GDADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000736286119 599317115 /nfs/dbraw/zinc/31/71/15/599317115.db2.gz LYKKOQUSVMCXCA-GJYPPUQNSA-N 1 0 385.516 1.264 20 0 GDADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000821622112 599342905 /nfs/dbraw/zinc/34/29/05/599342905.db2.gz SFGYPYAWNWEQQV-UHFFFAOYSA-N 1 0 384.893 1.482 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)Cc2ccccc2C1 ZINC000821581850 599350060 /nfs/dbraw/zinc/35/00/60/599350060.db2.gz WFDMXKOBANNSKB-UHFFFAOYSA-N 1 0 398.492 1.244 20 0 GDADRO O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823600575 599360988 /nfs/dbraw/zinc/36/09/88/599360988.db2.gz ITCNHZVZWSJZCC-CYBMUJFWSA-N 1 0 394.476 1.502 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000822143628 599363227 /nfs/dbraw/zinc/36/32/27/599363227.db2.gz DNDBMPIWDDIBPD-HNNXBMFYSA-N 1 0 378.502 1.670 20 0 GDADRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821903458 599385257 /nfs/dbraw/zinc/38/52/57/599385257.db2.gz GRFTXSQZPGFFDP-YVEFUNNKSA-N 1 0 382.424 1.459 20 0 GDADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000737853742 599391657 /nfs/dbraw/zinc/39/16/57/599391657.db2.gz UQDQAZSTJJZVRM-INIZCTEOSA-N 1 0 384.484 1.416 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](O)C[NH+]1CCCCC1 ZINC000822204388 599474060 /nfs/dbraw/zinc/47/40/60/599474060.db2.gz NHXZSNUHCVPLPQ-CQSZACIVSA-N 1 0 385.447 1.543 20 0 GDADRO Cn1cccc1CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822693782 599487154 /nfs/dbraw/zinc/48/71/54/599487154.db2.gz JUUYJYIISVRHIZ-UHFFFAOYSA-N 1 0 394.483 1.623 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821625474 599574464 /nfs/dbraw/zinc/57/44/64/599574464.db2.gz OREGZGFCBIUIET-HOTGVXAUSA-N 1 0 380.456 1.975 20 0 GDADRO CC[C@H]1CN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC[N@@H+]1C[C@@H](C)O ZINC000820994271 599574504 /nfs/dbraw/zinc/57/45/04/599574504.db2.gz GGXLDPSZIPBVRK-CJNGLKHVSA-N 1 0 398.471 1.194 20 0 GDADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000735564024 599585642 /nfs/dbraw/zinc/58/56/42/599585642.db2.gz WHSBQGKJEVOXMC-CRAIPNDOSA-N 1 0 399.499 1.380 20 0 GDADRO Cc1nsc(N2CCC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822531122 599587977 /nfs/dbraw/zinc/58/79/77/599587977.db2.gz UEWJVYCDMNJGHC-UHFFFAOYSA-N 1 0 386.485 1.618 20 0 GDADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[nH]n2)CC1 ZINC000821180496 599600528 /nfs/dbraw/zinc/60/05/28/599600528.db2.gz DFFRRTOSMYAIKB-UHFFFAOYSA-N 1 0 399.499 1.694 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1-c1nn[nH]n1 ZINC000822319392 599603201 /nfs/dbraw/zinc/60/32/01/599603201.db2.gz QATIFHQZRUVFQD-CQSZACIVSA-N 1 0 385.472 1.350 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820112416 599606469 /nfs/dbraw/zinc/60/64/69/599606469.db2.gz TVLOAFDMJIQJEJ-UHFFFAOYSA-N 1 0 399.377 1.280 20 0 GDADRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000822935198 599634801 /nfs/dbraw/zinc/63/48/01/599634801.db2.gz GSKQOPNFCWNWNZ-UHFFFAOYSA-N 1 0 388.447 1.657 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@@H+]1C ZINC000820658201 599676168 /nfs/dbraw/zinc/67/61/68/599676168.db2.gz QZGQZSGJTCGZJQ-ZBFHGGJFSA-N 1 0 399.499 1.902 20 0 GDADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000823254262 599693090 /nfs/dbraw/zinc/69/30/90/599693090.db2.gz RMZBXWPDBGWQIL-FQEVSTJZSA-N 1 0 378.436 1.120 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CC1(O)CCCCC1 ZINC000821586459 599697877 /nfs/dbraw/zinc/69/78/77/599697877.db2.gz YSFUXWUUQYQKKG-UHFFFAOYSA-N 1 0 386.500 1.842 20 0 GDADRO C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000736213994 599772919 /nfs/dbraw/zinc/77/29/19/599772919.db2.gz HMWNNUBLCUEFBD-INIZCTEOSA-N 1 0 389.496 1.434 20 0 GDADRO Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000738531601 599963467 /nfs/dbraw/zinc/96/34/67/599963467.db2.gz JEHGEMUVXLIFKB-HNNXBMFYSA-N 1 0 377.485 1.656 20 0 GDADRO CCC[C@@](C)([NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C(=O)[O-] ZINC000736964412 600322304 /nfs/dbraw/zinc/32/23/04/600322304.db2.gz NVMSNUSBRJEARG-HXUWFJFHSA-N 1 0 376.501 2.000 20 0 GDADRO c1cc(-c2nn[nH]n2)sc1C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000823748044 607444147 /nfs/dbraw/zinc/44/41/47/607444147.db2.gz OECDTBMRKPFJBP-UHFFFAOYSA-N 1 0 386.485 1.897 20 0 GDADRO CC[NH+]1CCN(c2ccc(CNCc3ccc(-c4nn[nH]n4)cc3F)cn2)CC1 ZINC000821276348 607473748 /nfs/dbraw/zinc/47/37/48/607473748.db2.gz JMJQQEZZXZHYGN-UHFFFAOYSA-N 1 0 396.474 1.833 20 0 GDADRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000821823836 607476848 /nfs/dbraw/zinc/47/68/48/607476848.db2.gz DLOYXVCXRAMLQD-INIZCTEOSA-N 1 0 387.415 1.682 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000820767665 607485675 /nfs/dbraw/zinc/48/56/75/607485675.db2.gz JNWAJYDHCOIKGF-WBMJQRKESA-N 1 0 396.492 1.544 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826194089 607488769 /nfs/dbraw/zinc/48/87/69/607488769.db2.gz AGLOPDVWYYUOTF-HLLBOEOZSA-N 1 0 386.500 1.949 20 0 GDADRO C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000827369142 601129271 /nfs/dbraw/zinc/12/92/71/601129271.db2.gz PDSDFAJJJPENGL-HNNXBMFYSA-N 1 0 378.473 1.640 20 0 GDADRO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825938077 607503604 /nfs/dbraw/zinc/50/36/04/607503604.db2.gz ODQMQYXHVCNRMK-UHFFFAOYSA-N 1 0 378.484 1.516 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cccc1-c1nn[nH]n1 ZINC000826240576 607515550 /nfs/dbraw/zinc/51/55/50/607515550.db2.gz AIPUQQALSWCKKX-OAHLLOKOSA-N 1 0 399.499 1.598 20 0 GDADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC000826160352 607519519 /nfs/dbraw/zinc/51/95/19/607519519.db2.gz PAUBWDITPCBJNT-DZGCQCFKSA-N 1 0 388.472 1.238 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000826182660 607526286 /nfs/dbraw/zinc/52/62/86/607526286.db2.gz QKRYOIHQGLAANY-OAHLLOKOSA-N 1 0 382.472 1.996 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)[C@H](C)C1 ZINC000825454260 607548224 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1.612 20 0 GDADRO O[C@@]1(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCOC1 ZINC000826505691 607854716 /nfs/dbraw/zinc/85/47/16/607854716.db2.gz CHVLLDOPPGBFEA-HXUWFJFHSA-N 1 0 381.436 1.687 20 0 GDADRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C1 ZINC000826145609 607858317 /nfs/dbraw/zinc/85/83/17/607858317.db2.gz JSKDFEUVHKOJSK-ZACQAIPSSA-N 1 0 386.456 1.464 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000826175262 607870805 /nfs/dbraw/zinc/87/08/05/607870805.db2.gz YNARRQXFIYUIPG-KRWDZBQOSA-N 1 0 381.436 1.673 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000826175416 607913785 /nfs/dbraw/zinc/91/37/85/607913785.db2.gz DMDZNRYAGIRNCQ-OKILXGFUSA-N 1 0 388.472 1.585 20 0 GDADRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825523219 607921566 /nfs/dbraw/zinc/92/15/66/607921566.db2.gz OPBSQBFEFXVAHK-CYBMUJFWSA-N 1 0 388.428 1.364 20 0 GDADRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825327337 607922514 /nfs/dbraw/zinc/92/25/14/607922514.db2.gz IZAGQFZGQDVUMJ-AWEZNQCLSA-N 1 0 386.456 1.392 20 0 GDADRO COc1cc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccn1 ZINC000826179661 607958394 /nfs/dbraw/zinc/95/83/94/607958394.db2.gz YHZUFZQVVRYTJC-UHFFFAOYSA-N 1 0 379.468 1.978 20 0 GDADRO C[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccccc1 ZINC000826029591 607973390 /nfs/dbraw/zinc/97/33/90/607973390.db2.gz UMXSDDAXURBTCX-QZTJIDSGSA-N 1 0 398.492 1.732 20 0 GDADRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccccc1 ZINC000826028498 607982712 /nfs/dbraw/zinc/98/27/12/607982712.db2.gz BJLPTBXXWDMPSP-SJORKVTESA-N 1 0 391.435 1.367 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C2=Cc3ccccc3OC2)c1-c1nn[nH]n1 ZINC000826077559 608019701 /nfs/dbraw/zinc/01/97/01/608019701.db2.gz MFWNTWLOKZJHCU-UHFFFAOYSA-N 1 0 380.412 1.156 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(n2)CCCC3)c1-c1nn[nH]n1 ZINC000826083370 608020721 /nfs/dbraw/zinc/02/07/21/608020721.db2.gz JUVAYEFUTSTIII-UHFFFAOYSA-N 1 0 381.444 1.268 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Sc2ccccn2)c1-c1nn[nH]n1 ZINC000826073034 608020897 /nfs/dbraw/zinc/02/08/97/608020897.db2.gz BGUNEWCAXTXHDG-JTQLQIEISA-N 1 0 387.473 1.256 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2cccc(F)c2)c1-c1nn[nH]n1 ZINC000826073331 608021749 /nfs/dbraw/zinc/02/17/49/608021749.db2.gz OCFCDGZKWODLEZ-UHFFFAOYSA-N 1 0 386.435 1.797 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Cc3ccccc3S2)c1-c1nn[nH]n1 ZINC000826077194 608021767 /nfs/dbraw/zinc/02/17/67/608021767.db2.gz DDHIFFOTJXRTPW-ZDUSSCGKSA-N 1 0 384.469 1.397 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)c(C)cc2F)c1-c1nn[nH]n1 ZINC000826077374 608022027 /nfs/dbraw/zinc/02/20/27/608022027.db2.gz GGJQONRBEXJJAA-UHFFFAOYSA-N 1 0 376.371 1.581 20 0 GDADRO O=S1(=O)CC[C@@H](CC[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000826495882 608032411 /nfs/dbraw/zinc/03/24/11/608032411.db2.gz FNYQTQYJVYTCRO-OAHLLOKOSA-N 1 0 390.513 1.204 20 0 GDADRO COc1ccc2c(c1)CC[N@@H+](C[C@H](O)COc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826212842 608037746 /nfs/dbraw/zinc/03/77/46/608037746.db2.gz CPMFYGLEDBJGPY-SFHVURJKSA-N 1 0 395.463 1.716 20 0 GDADRO C[NH+](C)C1(CNC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)CCCC1 ZINC000825850717 608061313 /nfs/dbraw/zinc/06/13/13/608061313.db2.gz REQWBFSDGGQERL-KRWDZBQOSA-N 1 0 399.499 1.824 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC000824945806 608061922 /nfs/dbraw/zinc/06/19/22/608061922.db2.gz GCAPSFZYYZQKDE-YJBOKZPZSA-N 1 0 399.499 1.682 20 0 GDADRO CS[C@H]1CN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000826227270 608089074 /nfs/dbraw/zinc/08/90/74/608089074.db2.gz OOHRCUMYTJQKTR-KBPBESRZSA-N 1 0 395.920 1.436 20 0 GDADRO CC1([C@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)OCCO1 ZINC000824818031 608132090 /nfs/dbraw/zinc/13/20/90/608132090.db2.gz QWPJEHPMJZAXAP-RDJZCZTQSA-N 1 0 398.467 1.447 20 0 GDADRO Cc1c(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cccc1-c1nn[nH]n1 ZINC000826241118 608146267 /nfs/dbraw/zinc/14/62/67/608146267.db2.gz RVYYOKPIOYURFE-CYBMUJFWSA-N 1 0 385.472 1.494 20 0 GDADRO CCC(CC)(C[NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)C(=O)OC ZINC000825089407 608167815 /nfs/dbraw/zinc/16/78/15/608167815.db2.gz FDFZLVBXMMYUBF-UHFFFAOYSA-N 1 0 385.428 1.986 20 0 GDADRO CCC(CC)(C[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)C(=O)OC ZINC000825090095 608167879 /nfs/dbraw/zinc/16/78/79/608167879.db2.gz SVDHOZNVMCLZNA-UHFFFAOYSA-N 1 0 380.474 1.826 20 0 GDADRO CN1CC[NH+](CC2CCN(c3snc(Cl)c3-c3nn[nH]n3)CC2)CC1 ZINC000826038134 608178379 /nfs/dbraw/zinc/17/83/79/608178379.db2.gz ILDIMSHWUJBQTE-UHFFFAOYSA-N 1 0 382.925 1.440 20 0 GDADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824860888 608202969 /nfs/dbraw/zinc/20/29/69/608202969.db2.gz YTBDOKDTEFFNJY-UONOGXRCSA-N 1 0 385.472 1.527 20 0 GDADRO CS[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C[C@H]1[NH+](C)C ZINC000826227148 608205588 /nfs/dbraw/zinc/20/55/88/608205588.db2.gz MQEJONLPCVGOAA-CABCVRRESA-N 1 0 390.513 1.528 20 0 GDADRO Cc1cnc(CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000826317580 608216592 /nfs/dbraw/zinc/21/65/92/608216592.db2.gz HZXZNSIQIJOHAS-UHFFFAOYSA-N 1 0 397.508 1.909 20 0 GDADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1)c1ccccc1 ZINC000824530628 608223180 /nfs/dbraw/zinc/22/31/80/608223180.db2.gz MIOZMNQZZUVGLT-CQSZACIVSA-N 1 0 394.483 1.919 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC000825443782 608246647 /nfs/dbraw/zinc/24/66/47/608246647.db2.gz GAOMQSZMXCCQAM-HUUCEWRRSA-N 1 0 399.499 1.917 20 0 GDADRO O=C(COc1ccccc1-c1nn[nH]n1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826419303 608250964 /nfs/dbraw/zinc/25/09/64/608250964.db2.gz RQBLPCIXVWPYEW-UHFFFAOYSA-N 1 0 393.451 1.673 20 0 GDADRO CC(C)[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824289324 608253486 /nfs/dbraw/zinc/25/34/86/608253486.db2.gz ZODJAKXONJKDRB-GOSISDBHSA-N 1 0 384.484 1.715 20 0 GDADRO CC[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825395951 608254037 /nfs/dbraw/zinc/25/40/37/608254037.db2.gz YOBBPDCBLHRVQC-KDOFPFPSSA-N 1 0 384.484 1.887 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(c2nnc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000826157759 608303614 /nfs/dbraw/zinc/30/36/14/608303614.db2.gz KQFOWAXREXVIBQ-UHFFFAOYSA-N 1 0 388.520 1.848 20 0 GDADRO CC(=O)NC1CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000823989200 608311744 /nfs/dbraw/zinc/31/17/44/608311744.db2.gz PODIYARFMMXMDJ-UHFFFAOYSA-N 1 0 380.456 1.461 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1CC[N@H+](C)CC1(C)C ZINC000826175960 608316723 /nfs/dbraw/zinc/31/67/23/608316723.db2.gz VYIWKMIJMHHIKE-UHFFFAOYSA-N 1 0 388.472 1.587 20 0 GDADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000823975316 608317921 /nfs/dbraw/zinc/31/79/21/608317921.db2.gz WVAQZBNJNICGIF-MRXNPFEDSA-N 1 0 394.483 1.661 20 0 GDADRO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C[C@H](C)O ZINC000825203985 608337101 /nfs/dbraw/zinc/33/71/01/608337101.db2.gz OTUNZCFEMXSGRD-GRDNDAEWSA-N 1 0 387.488 1.414 20 0 GDADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000826160647 608356052 /nfs/dbraw/zinc/35/60/52/608356052.db2.gz ZWBMOYRTYIKVTP-CZUORRHYSA-N 1 0 388.472 1.238 20 0 GDADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000826160646 608356376 /nfs/dbraw/zinc/35/63/76/608356376.db2.gz ZWBMOYRTYIKVTP-CJNGLKHVSA-N 1 0 388.472 1.238 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000826169151 608356791 /nfs/dbraw/zinc/35/67/91/608356791.db2.gz JWLRZOWZZZOPKJ-DAYGRLMNSA-N 1 0 386.500 1.949 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(Cc3cccc(-c4nn[nH]n4)c3F)CC2)CC1 ZINC000824295777 608407740 /nfs/dbraw/zinc/40/77/40/608407740.db2.gz ADZXDHYCOJMVMD-UHFFFAOYSA-N 1 0 387.507 1.996 20 0 GDADRO c1ccc([C@@H](CN2CCOCC2)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826520096 608430101 /nfs/dbraw/zinc/43/01/01/608430101.db2.gz ALKWZHCJFJFWSU-HXUWFJFHSA-N 1 0 394.479 1.909 20 0 GDADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824005435 608432980 /nfs/dbraw/zinc/43/29/80/608432980.db2.gz SBEPDXMUZNHJDF-CYBMUJFWSA-N 1 0 393.451 1.792 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000826390340 608435966 /nfs/dbraw/zinc/43/59/66/608435966.db2.gz XFFLTXLODXLLBN-KRWDZBQOSA-N 1 0 392.467 1.333 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@H]1n1ccnc1 ZINC000824957453 608453357 /nfs/dbraw/zinc/45/33/57/608453357.db2.gz XTVFCBMWQANXSU-RHSMWYFYSA-N 1 0 380.456 1.263 20 0 GDADRO c1cc(OCCC[NH+]2CCN(Cc3ccncc3)CC2)cc(-c2nn[nH]n2)c1 ZINC000826517993 608458166 /nfs/dbraw/zinc/45/81/66/608458166.db2.gz XPZOHMYTCRZZBS-UHFFFAOYSA-N 1 0 379.468 1.848 20 0 GDADRO CNC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826053170 608467809 /nfs/dbraw/zinc/46/78/09/608467809.db2.gz UTKDTQQNORUMFF-SCLBCKFNSA-N 1 0 393.451 1.121 20 0 GDADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826188521 608472689 /nfs/dbraw/zinc/47/26/89/608472689.db2.gz ZHHLDMUABNJHHB-BBRMVZONSA-N 1 0 399.451 1.974 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1)c1cccc(-c2nn[nH]n2)c1 ZINC000824565145 608481820 /nfs/dbraw/zinc/48/18/20/608481820.db2.gz ZYELXLDQRYBOKZ-GUYCJALGSA-N 1 0 378.436 1.637 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)c1cccc(-c2nn[nH]n2)c1 ZINC000824565143 608481920 /nfs/dbraw/zinc/48/19/20/608481920.db2.gz ZYELXLDQRYBOKZ-CXAGYDPISA-N 1 0 378.436 1.637 20 0 GDADRO C[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553988 608485725 /nfs/dbraw/zinc/48/57/25/608485725.db2.gz LHMPDXVWRONVQT-INIZCTEOSA-N 1 0 391.479 1.866 20 0 GDADRO CCCNC(=O)CN1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825328456 608500154 /nfs/dbraw/zinc/50/01/54/608500154.db2.gz SMKAKHTZZIERGA-LJQANCHMSA-N 1 0 397.527 1.824 20 0 GDADRO c1ccc2c(c1)OCC[C@H]2C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826524165 608510126 /nfs/dbraw/zinc/51/01/26/608510126.db2.gz LJNZEADKQFGTOB-HNNXBMFYSA-N 1 0 377.452 1.950 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826223135 608524765 /nfs/dbraw/zinc/52/47/65/608524765.db2.gz CETVUEPQOFAAMT-LRDDRELGSA-N 1 0 376.486 1.115 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)CCC1=O ZINC000824865703 608545315 /nfs/dbraw/zinc/54/53/15/608545315.db2.gz JBDNHEAGTCZXBT-PBHICJAKSA-N 1 0 384.484 1.762 20 0 GDADRO COc1cccc(C2([NH2+]C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826215375 608550963 /nfs/dbraw/zinc/55/09/63/608550963.db2.gz NEYSCVDUFRAMCM-MRXNPFEDSA-N 1 0 381.436 1.894 20 0 GDADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000826457718 608561142 /nfs/dbraw/zinc/56/11/42/608561142.db2.gz MZIFDOWJMMDWGX-UHFFFAOYSA-N 1 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COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000530535596 649977995 /nfs/dbraw/zinc/97/79/95/649977995.db2.gz SXNXFYJKEFNEMH-CVEARBPZSA-N 1 0 376.519 1.137 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826518589 608849396 /nfs/dbraw/zinc/84/93/96/608849396.db2.gz SJBHEMGUHLFIGG-KSSFIOAISA-N 1 0 378.484 1.963 20 0 GDADRO CC[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[NH+](CC)CC ZINC000825039189 609133938 /nfs/dbraw/zinc/13/39/38/609133938.db2.gz NZCYAQUDSHVAFC-IRXDYDNUSA-N 1 0 399.499 1.599 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@H]1CCc2ccccc21 ZINC000825001313 609139484 /nfs/dbraw/zinc/13/94/84/609139484.db2.gz ZBPSLLRFZNLYTE-GDBMZVCRSA-N 1 0 376.468 1.897 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546376 609151362 /nfs/dbraw/zinc/15/13/62/609151362.db2.gz IEYLEWDYRPVYJY-XHDPSFHLSA-N 1 0 384.419 1.586 20 0 GDADRO Cc1cc(C(=O)N(C)CC[NH+]2CCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257122 609153330 /nfs/dbraw/zinc/15/33/30/609153330.db2.gz OPIFZRYNAXEODV-UHFFFAOYSA-N 1 0 380.456 1.529 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C1 ZINC000825391371 609159928 /nfs/dbraw/zinc/15/99/28/609159928.db2.gz YRSXGLPTSLAXCD-HNNXBMFYSA-N 1 0 394.483 1.775 20 0 GDADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)c1ccccc1O2 ZINC000826028785 609195011 /nfs/dbraw/zinc/19/50/11/609195011.db2.gz IBLGHUNRBAJRFT-MRXNPFEDSA-N 1 0 393.451 1.913 20 0 GDADRO Cc1ccc([C@@H](CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[NH+](C)C)cc1 ZINC000826284082 609213601 /nfs/dbraw/zinc/21/36/01/609213601.db2.gz JKJGOPQXJBKHIP-QZTJIDSGSA-N 1 0 380.452 1.628 20 0 GDADRO O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000826398483 609214128 /nfs/dbraw/zinc/21/41/28/609214128.db2.gz XWWKRGIUIDZWBK-GOSISDBHSA-N 1 0 384.484 1.625 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826435537 609232178 /nfs/dbraw/zinc/23/21/78/609232178.db2.gz QNHWLPNLDWFMMD-MOPGFXCFSA-N 1 0 392.463 1.681 20 0 GDADRO C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824994879 609238531 /nfs/dbraw/zinc/23/85/31/609238531.db2.gz WMCNTQCAHTZRDE-CSMYWGQOSA-N 1 0 390.513 1.504 20 0 GDADRO O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826429396 609245394 /nfs/dbraw/zinc/24/53/94/609245394.db2.gz BJHJSDIBDGKUDE-ABHNRTSZSA-N 1 0 384.484 1.813 20 0 GDADRO C[C@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000824540074 609250121 /nfs/dbraw/zinc/25/01/21/609250121.db2.gz RIKDUQOFIBEYRL-LBPRGKRZSA-N 1 0 384.465 1.854 20 0 GDADRO O[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826505816 609261866 /nfs/dbraw/zinc/26/18/66/609261866.db2.gz GBKAHEILWDTBPG-LJQANCHMSA-N 1 0 379.399 1.747 20 0 GDADRO CC(C)[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[NH+](C)C ZINC000824185308 609265123 /nfs/dbraw/zinc/26/51/23/609265123.db2.gz VIUMYNBSMYMGGN-HZPDHXFCSA-N 1 0 385.472 1.065 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825326392 609265125 /nfs/dbraw/zinc/26/51/25/609265125.db2.gz CUAHXYRJPKLLCB-IRXDYDNUSA-N 1 0 397.483 1.353 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000826156375 609298479 /nfs/dbraw/zinc/29/84/79/609298479.db2.gz ZZJWCLLGRVSEKF-UHFFFAOYSA-N 1 0 378.864 1.751 20 0 GDADRO Nc1cc(N)[nH+]c(SCc2ccc(-c3nn[nH]n3)cc2Br)n1 ZINC000826395647 609306536 /nfs/dbraw/zinc/30/65/36/609306536.db2.gz NCAMMMYWROOUKF-UHFFFAOYSA-N 1 0 379.247 1.876 20 0 GDADRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825068793 609336636 /nfs/dbraw/zinc/33/66/36/609336636.db2.gz WTLLSIVVYUNARK-ZDUSSCGKSA-N 1 0 382.472 1.662 20 0 GDADRO Cn1cc(CNc2ccn(CC[NH+](C)C)n2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825870152 609341351 /nfs/dbraw/zinc/34/13/51/609341351.db2.gz BUBCXSCCSKUWNE-UHFFFAOYSA-N 1 0 392.471 1.637 20 0 GDADRO Cn1cc(C[NH2+]CCCO[C@H]2CCOC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361882 609341641 /nfs/dbraw/zinc/34/16/41/609341641.db2.gz UCOLMAKNQJLYOX-KRWDZBQOSA-N 1 0 383.456 1.552 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000824400406 609355469 /nfs/dbraw/zinc/35/54/69/609355469.db2.gz HITJFXMOOSVGDK-LLVKDONJSA-N 1 0 387.423 1.653 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000824400407 609355498 /nfs/dbraw/zinc/35/54/98/609355498.db2.gz HITJFXMOOSVGDK-NSHDSACASA-N 1 0 387.423 1.653 20 0 GDADRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826060871 609362429 /nfs/dbraw/zinc/36/24/29/609362429.db2.gz VDCDEQMHWIBFJR-LBPRGKRZSA-N 1 0 379.262 1.587 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000530805747 649981068 /nfs/dbraw/zinc/98/10/68/649981068.db2.gz BSNJSUOGSCNFID-OAHLLOKOSA-N 1 0 386.539 1.443 20 0 GDADRO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000826487857 609410946 /nfs/dbraw/zinc/41/09/46/609410946.db2.gz BMBLLMAECHAENJ-MRXNPFEDSA-N 1 0 390.513 1.693 20 0 GDADRO CCc1nn(C)cc1C[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825762705 609416989 /nfs/dbraw/zinc/41/69/89/609416989.db2.gz GYKPRFIXQNYVDN-QGZVFWFLSA-N 1 0 380.456 1.448 20 0 GDADRO O=S(=O)(CC[NH2+][C@@H](CO)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484632 609428970 /nfs/dbraw/zinc/42/89/70/609428970.db2.gz KADMYNJWHPHQBO-INIZCTEOSA-N 1 0 379.486 1.171 20 0 GDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)CC1 ZINC000825458671 609433894 /nfs/dbraw/zinc/43/38/94/609433894.db2.gz DCXCAJQTBAHORY-UHFFFAOYSA-N 1 0 380.456 1.585 20 0 GDADRO Cc1cccc(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1-c1nn[nH]n1 ZINC000826298970 609621860 /nfs/dbraw/zinc/62/18/60/609621860.db2.gz MPLUCXYDZRQRNH-UHFFFAOYSA-N 1 0 389.379 1.333 20 0 GDADRO NS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000533454520 650052727 /nfs/dbraw/zinc/05/27/27/650052727.db2.gz SSKFKPXUQUDRIJ-IUODEOHRSA-N 1 0 383.539 1.413 20 0 GDADRO C[C@@H](CNS(=O)(=O)Cc1cc2c(cc1Br)OCO2)[NH+](C)C ZINC000916117272 660186009 /nfs/dbraw/zinc/18/60/09/660186009.db2.gz KPLMDJOBPURYLJ-VIFPVBQESA-N 1 0 379.276 1.547 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000535704261 650254134 /nfs/dbraw/zinc/25/41/34/650254134.db2.gz FZXVLBMUZBYBLW-INIZCTEOSA-N 1 0 387.571 1.425 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cnc2c1Cl ZINC000535753180 650255541 /nfs/dbraw/zinc/25/55/41/650255541.db2.gz TVXXTWLWDQINFY-TZMCWYRMSA-N 1 0 383.905 1.796 20 0 GDADRO Cc1cc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)nn1C(F)F ZINC000536404770 650270185 /nfs/dbraw/zinc/27/01/85/650270185.db2.gz HOMAVGCRDKDNCU-LBPRGKRZSA-N 1 0 378.445 1.168 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)N2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000538537891 650314242 /nfs/dbraw/zinc/31/42/42/650314242.db2.gz UKFVILKCSNEIID-JKSUJKDBSA-N 1 0 377.551 1.069 20 0 GDADRO C[C@@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[S@@](C)=O ZINC000540156665 650350426 /nfs/dbraw/zinc/35/04/26/650350426.db2.gz IZFGNEINNZENQU-ZEUIUJOJSA-N 1 0 388.555 1.515 20 0 GDADRO COCCCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000540263827 650353840 /nfs/dbraw/zinc/35/38/40/650353840.db2.gz AADWRCRUHBIYRU-OWCLPIDISA-N 1 0 375.535 1.094 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000540623309 650366319 /nfs/dbraw/zinc/36/63/19/650366319.db2.gz RXVDPEDKKYNHIE-UHFFFAOYSA-N 1 0 378.292 1.120 20 0 GDADRO C[NH+](C)CCOCCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000540845323 650370860 /nfs/dbraw/zinc/37/08/60/650370860.db2.gz FTOZIDSAVLBIFT-HNNXBMFYSA-N 1 0 398.301 1.496 20 0 GDADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccccc2Cn2cncn2)CCSC1 ZINC000540965552 650374771 /nfs/dbraw/zinc/37/47/71/650374771.db2.gz DXBPYXPVJNMTRT-MRXNPFEDSA-N 1 0 381.527 1.042 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000541094185 650377796 /nfs/dbraw/zinc/37/77/96/650377796.db2.gz NQCIHACRCIQPFH-VIFPVBQESA-N 1 0 380.242 1.747 20 0 GDADRO C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000541410507 650384103 /nfs/dbraw/zinc/38/41/03/650384103.db2.gz UDUKJYYKGYPBRI-YMXBGEKHSA-N 1 0 383.539 1.057 20 0 GDADRO C[C@H](C[S@](C)=O)[NH2+][C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000542489076 650406571 /nfs/dbraw/zinc/40/65/71/650406571.db2.gz UOTQMWWVMYYVCP-URHRGWDJSA-N 1 0 385.961 1.935 20 0 GDADRO COCCN(C(=O)NCC[C@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000544331644 650437985 /nfs/dbraw/zinc/43/79/85/650437985.db2.gz CSFOJRFFAYRDOI-HOTGVXAUSA-N 1 0 375.535 1.096 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000544386499 650439085 /nfs/dbraw/zinc/43/90/85/650439085.db2.gz XCXRFUMAPYQVIA-YOEHRIQHSA-N 1 0 386.539 1.844 20 0 GDADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545170899 650450218 /nfs/dbraw/zinc/45/02/18/650450218.db2.gz XQXOUWZTQZZXJT-KRWDZBQOSA-N 1 0 385.917 1.962 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(c3ncc(I)cn3)C2)CC1 ZINC000545208536 650452288 /nfs/dbraw/zinc/45/22/88/650452288.db2.gz BSXXFFRTKIBSAE-CYBMUJFWSA-N 1 0 387.269 1.297 20 0 GDADRO O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000545506050 650459080 /nfs/dbraw/zinc/45/90/80/650459080.db2.gz GAZGIHKNWLZSEA-LSDHHAIUSA-N 1 0 398.301 1.725 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000545861757 650462433 /nfs/dbraw/zinc/46/24/33/650462433.db2.gz BWMLFYDYPYNBFH-PXAZEXFGSA-N 1 0 386.279 1.529 20 0 GDADRO COc1cc(Br)c(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000545869492 650463297 /nfs/dbraw/zinc/46/32/97/650463297.db2.gz HZPCAQDUEJTACS-HNNXBMFYSA-N 1 0 388.262 1.654 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000545879246 650464090 /nfs/dbraw/zinc/46/40/90/650464090.db2.gz BXSVJHJBJOOQSR-AWEZNQCLSA-N 1 0 390.665 1.224 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000546569018 650479158 /nfs/dbraw/zinc/47/91/58/650479158.db2.gz BKXQNZITXMMKLR-MRXNPFEDSA-N 1 0 380.495 1.182 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000546575341 650479525 /nfs/dbraw/zinc/47/95/25/650479525.db2.gz ZLTJRHCKEOQAEV-SNVBAGLBSA-N 1 0 389.724 1.509 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000546779623 650485894 /nfs/dbraw/zinc/48/58/94/650485894.db2.gz HDQUQUDRBVLABK-HNNXBMFYSA-N 1 0 375.535 1.218 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(F)ccc2I)C1 ZINC000547275813 650493572 /nfs/dbraw/zinc/49/35/72/650493572.db2.gz KJKAOZVSYLAMRG-CYBMUJFWSA-N 1 0 378.185 1.227 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cc2ccc(Br)cc2O)C1 ZINC000547745831 650514572 /nfs/dbraw/zinc/51/45/72/650514572.db2.gz RJRGWZVMRRQCHV-CYBMUJFWSA-N 1 0 398.301 1.401 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1ccc2ncsc2c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000547930912 650523944 /nfs/dbraw/zinc/52/39/44/650523944.db2.gz MTFFPZFVHVQYDB-SGMGOOAPSA-N 1 0 381.523 1.981 20 0 GDADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000548449532 650546065 /nfs/dbraw/zinc/54/60/65/650546065.db2.gz KUDDAXCQHQPAQF-UHFFFAOYSA-N 1 0 382.555 1.991 20 0 GDADRO Cc1nc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)sc1S(N)(=O)=O ZINC000549259869 650573984 /nfs/dbraw/zinc/57/39/84/650573984.db2.gz QJPNAYHEDAWADG-HNNXBMFYSA-N 1 0 380.539 2.421 20 0 GDADRO O=C(C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1)Nc1ccc(Br)cn1 ZINC000550140875 650589999 /nfs/dbraw/zinc/58/99/99/650589999.db2.gz LRYNZNPJEQGDJT-CVEARBPZSA-N 1 0 384.274 1.692 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000550852643 650597593 /nfs/dbraw/zinc/59/75/93/650597593.db2.gz DNQPFLPREUUNKC-GFCCVEGCSA-N 1 0 388.299 1.517 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550902334 650598397 /nfs/dbraw/zinc/59/83/97/650598397.db2.gz HCWPTORRVSISOT-JTQLQIEISA-N 1 0 386.315 1.727 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000551816159 650612518 /nfs/dbraw/zinc/61/25/18/650612518.db2.gz GSOYQWJRBRRYBB-LBPRGKRZSA-N 1 0 376.316 1.909 20 0 GDADRO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1(C)C ZINC000552039128 650618044 /nfs/dbraw/zinc/61/80/44/650618044.db2.gz MMUUFEWCIPGISV-UHFFFAOYSA-N 1 0 375.441 1.186 20 0 GDADRO COc1cc([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)ccc1S(C)(=O)=O ZINC000552099653 650619521 /nfs/dbraw/zinc/61/95/21/650619521.db2.gz PYZRIHHGHRPZEM-RYUDHWBXSA-N 1 0 375.512 1.715 20 0 GDADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCCOCC[NH+](C)C ZINC000552150549 650621511 /nfs/dbraw/zinc/62/15/11/650621511.db2.gz IRNRGJBVTDJXAQ-UHFFFAOYSA-N 1 0 387.274 1.725 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000552472373 650627070 /nfs/dbraw/zinc/62/70/70/650627070.db2.gz FBSKRKRMHFBNTD-PWSUYJOCSA-N 1 0 381.274 1.374 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)C[NH+](C)C ZINC000553230753 650639876 /nfs/dbraw/zinc/63/98/76/650639876.db2.gz ZHSRJSYMWVVYCX-LBPRGKRZSA-N 1 0 380.432 1.879 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)CC[N@@H+]1C ZINC000554334861 650673279 /nfs/dbraw/zinc/67/32/79/650673279.db2.gz MFNYOTKOFKECDR-OCCSQVGLSA-N 1 0 394.313 1.933 20 0 GDADRO O=C(NC[C@@H]1CCCS1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000554418570 650674667 /nfs/dbraw/zinc/67/46/67/650674667.db2.gz BJNOGSFJLFQDCC-HNNXBMFYSA-N 1 0 385.599 1.866 20 0 GDADRO C[NH+](C)CCCCC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000554476952 650675906 /nfs/dbraw/zinc/67/59/06/650675906.db2.gz IJPBDEHFWADFKA-UHFFFAOYSA-N 1 0 387.468 1.533 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)C[C@H](C)COC2CCCC2)CC1 ZINC000555322071 650689000 /nfs/dbraw/zinc/68/90/00/650689000.db2.gz QGHPJMMBHSTEFC-MRXNPFEDSA-N 1 0 376.563 1.736 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)cnc2c1Cl ZINC000555405004 650690315 /nfs/dbraw/zinc/69/03/15/650690315.db2.gz LGUKGQJHHYHGSD-INIZCTEOSA-N 1 0 383.905 1.798 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000555880417 650697156 /nfs/dbraw/zinc/69/71/56/650697156.db2.gz KSQVLAINEROOMN-CVEARBPZSA-N 1 0 375.307 1.353 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000556075919 650699166 /nfs/dbraw/zinc/69/91/66/650699166.db2.gz HOJIHJJFZMFBDB-WFASDCNBSA-N 1 0 377.432 1.938 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)cnc2c1Cl ZINC000556820290 650712089 /nfs/dbraw/zinc/71/20/89/650712089.db2.gz UZOMVMPGQVOMHS-YPMHNXCESA-N 1 0 383.905 1.938 20 0 GDADRO C[C@](CO)([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000556828937 650713093 /nfs/dbraw/zinc/71/30/93/650713093.db2.gz FOEUXVZCBGNCKW-BRWVUGGUSA-N 1 0 388.302 1.803 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000557248473 650721997 /nfs/dbraw/zinc/72/19/97/650721997.db2.gz XGJFLWNFPJYKBN-TZMCWYRMSA-N 1 0 382.302 1.694 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000557248445 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GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000161250483 644852297 /nfs/dbraw/zinc/85/22/97/644852297.db2.gz ACNRKNJWUDNOHK-OKILXGFUSA-N 1 0 389.953 1.253 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000171853676 644879166 /nfs/dbraw/zinc/87/91/66/644879166.db2.gz WFDOGSJKKVTTKG-GFCCVEGCSA-N 1 0 384.493 1.280 20 0 GDADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000178935583 644928951 /nfs/dbraw/zinc/92/89/51/644928951.db2.gz YIWGQYQKZDWJSX-VIFPVBQESA-N 1 0 395.275 1.591 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH2+]C(C)(C)COc2ncccc2Br)CCO1 ZINC000181514272 644956542 /nfs/dbraw/zinc/95/65/42/644956542.db2.gz KAMXPWWYJMQHEP-GFCCVEGCSA-N 1 0 386.290 1.838 20 0 GDADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC1 ZINC000183165104 644967251 /nfs/dbraw/zinc/96/72/51/644967251.db2.gz GYEUOHXJUDZIFC-UHFFFAOYSA-N 1 0 376.320 1.888 20 0 GDADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000183253088 644968580 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CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000236607798 645080564 /nfs/dbraw/zinc/08/05/64/645080564.db2.gz PDSMOIGQAXBTAG-UKRRQHHQSA-N 1 0 387.571 1.859 20 0 GDADRO COCC[NH2+]CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000237173010 645082878 /nfs/dbraw/zinc/08/28/78/645082878.db2.gz BEOOOFQCKVCAOT-UHFFFAOYSA-N 1 0 384.318 1.766 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000237205486 645084207 /nfs/dbraw/zinc/08/42/07/645084207.db2.gz BOIQRIZJBRKPCE-SECBINFHSA-N 1 0 377.260 1.266 20 0 GDADRO C[C@@H](CC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCC[NH2+]C1 ZINC000237394184 645085452 /nfs/dbraw/zinc/08/54/52/645085452.db2.gz CEAQQEYZWGFMOB-RYUDHWBXSA-N 1 0 385.452 1.442 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000237766309 645087345 /nfs/dbraw/zinc/08/73/45/645087345.db2.gz SEZVJYAUDQHNNH-ZDUSSCGKSA-N 1 0 385.917 1.996 20 0 GDADRO O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1)[C@@H]1CCC[NH2+]1 ZINC000237777278 645087544 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COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000262051103 645121952 /nfs/dbraw/zinc/12/19/52/645121952.db2.gz QGAZXMBHVBEZEU-JOYOIKCWSA-N 1 0 375.878 1.018 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CCC([NH3+])CC2)c(OC)c1 ZINC000262092463 645122882 /nfs/dbraw/zinc/12/28/82/645122882.db2.gz ANIVRKHRLGZEJA-UHFFFAOYSA-N 1 0 391.515 1.005 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1F ZINC000262116547 645123663 /nfs/dbraw/zinc/12/36/63/645123663.db2.gz INDBZFYEKXDQHD-SMDDNHRTSA-N 1 0 393.506 1.383 20 0 GDADRO CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C)C[NH3+] ZINC000262523636 645133645 /nfs/dbraw/zinc/13/36/45/645133645.db2.gz JNLKWWXNJAHCOZ-GWCFXTLKSA-N 1 0 392.319 1.215 20 0 GDADRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000569040487 650981958 /nfs/dbraw/zinc/98/19/58/650981958.db2.gz GKBDBSUMBPMDCA-SNVBAGLBSA-N 1 0 387.303 1.723 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000262766662 645137699 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O=C(NC[C@H]1CCCN(Cc2ncccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000323965245 645258955 /nfs/dbraw/zinc/25/89/55/645258955.db2.gz HHBLOBYVVMOTCV-HIFRSBDPSA-N 1 0 381.318 1.924 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C(F)(F)F)n1 ZINC000328718338 645273369 /nfs/dbraw/zinc/27/33/69/645273369.db2.gz FTGUYIVNFQGOOI-LBPRGKRZSA-N 1 0 380.436 1.935 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CCC[NH3+])cc1F ZINC000569456881 651000736 /nfs/dbraw/zinc/00/07/36/651000736.db2.gz HECBJYPLOABMBU-LLVKDONJSA-N 1 0 381.495 1.382 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000328867544 645283646 /nfs/dbraw/zinc/28/36/46/645283646.db2.gz HABHYLBTLFJRHS-UHFFFAOYSA-N 1 0 375.874 1.531 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N1CCC(Cc2ncc[nH]2)CC1 ZINC000329052494 645294322 /nfs/dbraw/zinc/29/43/22/645294322.db2.gz ADLMRTANBPKKDA-UHFFFAOYSA-N 1 0 379.258 1.815 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3[nH]nc(C4CC4)c3Br)C2)CC1 ZINC000329164877 645300885 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C[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(C)(C)C[NH+](C)C ZINC000331014485 645452745 /nfs/dbraw/zinc/45/27/45/645452745.db2.gz XBCPBDWDOYXSRP-NSHDSACASA-N 1 0 395.522 1.452 20 0 GDADRO C[C@@H](NC(=O)CCCS(=O)(=O)c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000569723039 651012339 /nfs/dbraw/zinc/01/23/39/651012339.db2.gz AJVVQOZQXMANFN-WDEREUQCSA-N 1 0 377.304 1.855 20 0 GDADRO COc1cc(C)c(S(=O)(=O)N2CCC([N@H+](C)CCO)CC2)cc1Cl ZINC000331178816 645475911 /nfs/dbraw/zinc/47/59/11/645475911.db2.gz GJDDOUHNYWAEEB-UHFFFAOYSA-N 1 0 376.906 1.734 20 0 GDADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)CC1 ZINC000331268236 645486810 /nfs/dbraw/zinc/48/68/10/645486810.db2.gz KJQZCDCHRKCXIX-UHFFFAOYSA-N 1 0 387.889 1.235 20 0 GDADRO Cc1nnsc1CNC(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000569903126 651016204 /nfs/dbraw/zinc/01/62/04/651016204.db2.gz NBPXPGQBDPTIGS-CYBMUJFWSA-N 1 0 380.543 1.696 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cnccc1C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000331281389 645491386 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C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423554240 646129671 /nfs/dbraw/zinc/12/96/71/646129671.db2.gz LNXPAKGNMSYYDQ-ZWNOBZJWSA-N 1 0 386.279 1.625 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000423564145 646130867 /nfs/dbraw/zinc/13/08/67/646130867.db2.gz LEFLDMRERJUCCO-JTQLQIEISA-N 1 0 388.693 1.881 20 0 GDADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000423600537 646135885 /nfs/dbraw/zinc/13/58/85/646135885.db2.gz AUIWZZOVGSLJFB-UHFFFAOYSA-N 1 0 385.295 1.464 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423617554 646137803 /nfs/dbraw/zinc/13/78/03/646137803.db2.gz GOKCMHXXLJLHHU-ZDUSSCGKSA-N 1 0 386.265 1.886 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000423625508 646138587 /nfs/dbraw/zinc/13/85/87/646138587.db2.gz DBSKYHDDEHVNDX-UMVBOHGHSA-N 1 0 394.313 1.961 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000423626954 646138651 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379.913 1.711 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1Br ZINC000423941911 646144516 /nfs/dbraw/zinc/14/45/16/646144516.db2.gz AAJZHPZDLMYONN-UHFFFAOYSA-N 1 0 397.317 1.804 20 0 GDADRO [NH3+]C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C1CCCC1 ZINC000423950408 646145753 /nfs/dbraw/zinc/14/57/53/646145753.db2.gz YIJYWUWVUHCAQS-LSDHHAIUSA-N 1 0 385.555 1.925 20 0 GDADRO CN(C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)[C@H](C[NH3+])C1CC1 ZINC000423956239 646146477 /nfs/dbraw/zinc/14/64/77/646146477.db2.gz STUKXCYCFNWHKM-LLVKDONJSA-N 1 0 393.278 1.801 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NC(=O)CN1c2ccc(Br)cc2OCC1=O ZINC000423954833 646146486 /nfs/dbraw/zinc/14/64/86/646146486.db2.gz NLVLDCOFSDFABZ-ZDUSSCGKSA-N 1 0 384.274 1.664 20 0 GDADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423985972 646148869 /nfs/dbraw/zinc/14/88/69/646148869.db2.gz FDWKXNQDEVZCHJ-LBPRGKRZSA-N 1 0 385.258 1.525 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000423989589 646149528 /nfs/dbraw/zinc/14/95/28/646149528.db2.gz ILWVZVOJCHYTOP-LBPRGKRZSA-N 1 0 383.221 1.492 20 0 GDADRO CN(CC[NH3+])C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000424002761 646151718 /nfs/dbraw/zinc/15/17/18/646151718.db2.gz JOHJRFDMGGQVKF-UHFFFAOYSA-N 1 0 394.324 1.811 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C[C@@H]1C[NH3+] ZINC000424024620 646153972 /nfs/dbraw/zinc/15/39/72/646153972.db2.gz WHLIOGTZPGVCLG-ILXRZTDVSA-N 1 0 385.555 1.735 20 0 GDADRO CC(=O)N[C@H](CC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000424026481 646154525 /nfs/dbraw/zinc/15/45/25/646154525.db2.gz UWSPCTFTOMDDSP-HZPDHXFCSA-N 1 0 398.301 1.593 20 0 GDADRO C[NH2+]CCCN(C)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000424034360 646155365 /nfs/dbraw/zinc/15/53/65/646155365.db2.gz QQNWUFKPMCNHNT-UHFFFAOYSA-N 1 0 382.258 1.503 20 0 GDADRO O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424048162 646156121 /nfs/dbraw/zinc/15/61/21/646156121.db2.gz YJHUXNBMLPAHCZ-LISAXSMJSA-N 1 0 377.282 1.852 20 0 GDADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000424058969 646157405 /nfs/dbraw/zinc/15/74/05/646157405.db2.gz ONJVKZXLHAASBO-JTQLQIEISA-N 1 0 375.238 1.668 20 0 GDADRO CN1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1=O ZINC000424185693 646161299 /nfs/dbraw/zinc/16/12/99/646161299.db2.gz HBZXNIGKUIHCPJ-LBPRGKRZSA-N 1 0 378.274 1.988 20 0 GDADRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000424316560 646173932 /nfs/dbraw/zinc/17/39/32/646173932.db2.gz NCSGJXSRQGIFSX-CHWSQXEVSA-N 1 0 387.889 1.436 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Br)ccc1O ZINC000436702507 646204583 /nfs/dbraw/zinc/20/45/83/646204583.db2.gz DAEUWEJIXHVIEN-AWEZNQCLSA-N 1 0 398.301 1.827 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000440744257 646253956 /nfs/dbraw/zinc/25/39/56/646253956.db2.gz CLDJUOFMFAGYKA-KCJUWKMLSA-N 1 0 381.267 1.955 20 0 GDADRO NC(=O)c1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000441334156 646254178 /nfs/dbraw/zinc/25/41/78/646254178.db2.gz CFKQIRKBYVFPLK-UHFFFAOYSA-N 1 0 385.848 1.646 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000917544026 660215528 /nfs/dbraw/zinc/21/55/28/660215528.db2.gz BEDBTTBLGPXJBF-DEOSSOPVSA-N 1 0 389.543 1.213 20 0 GDADRO Cn1ncc(I)c1C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000895025773 658649835 /nfs/dbraw/zinc/64/98/35/658649835.db2.gz SZGFAHGLOUAEIC-UHFFFAOYSA-N 1 0 393.269 1.682 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000900481681 659112988 /nfs/dbraw/zinc/11/29/88/659112988.db2.gz CKTGVINNNJICPK-PBHICJAKSA-N 1 0 398.301 1.140 20 0 GDADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc(I)s2)C1 ZINC000903484141 659316803 /nfs/dbraw/zinc/31/68/03/659316803.db2.gz VGTWOMWNFLSUCB-MRVPVSSYSA-N 1 0 386.280 1.712 20 0 GDADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)s1 ZINC000918351712 660234160 /nfs/dbraw/zinc/23/41/60/660234160.db2.gz MSAYUNKHOZDKDN-AFAVFJNCSA-N 1 0 385.555 1.908 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000918359648 660234432 /nfs/dbraw/zinc/23/44/32/660234432.db2.gz GEIFBKFSVRCLON-HOTGVXAUSA-N 1 0 387.889 1.484 20 0 GDADRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3cccnc3OCC(F)F)C[C@]2(C)C1 ZINC000918368322 660234589 /nfs/dbraw/zinc/23/45/89/660234589.db2.gz HGPMVVBVPRYXKI-HOTGVXAUSA-N 1 0 375.441 1.688 20 0 GDADRO Cc1nc(S(=O)(=O)N2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)c(Br)n1C ZINC000918360778 660234674 /nfs/dbraw/zinc/23/46/74/660234674.db2.gz VKYKJDLZMIPXAH-OKILXGFUSA-N 1 0 391.335 1.453 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1Cl ZINC000918964009 660244033 /nfs/dbraw/zinc/24/40/33/660244033.db2.gz XJICMWBUVUFTRS-INIZCTEOSA-N 1 0 392.905 1.434 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC000918963349 660244043 /nfs/dbraw/zinc/24/40/43/660244043.db2.gz UBOPEXDKKXHXNT-CQSZACIVSA-N 1 0 384.395 1.922 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1csc(-c2ccccc2)n1 ZINC000443158222 647184838 /nfs/dbraw/zinc/18/48/38/647184838.db2.gz NZRMIPUUHAEIAO-UHFFFAOYSA-N 1 0 381.523 1.935 20 0 GDADRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc(F)c(Br)c1 ZINC000443295407 647197490 /nfs/dbraw/zinc/19/74/90/647197490.db2.gz JUYPGNFVNRTHDG-UHFFFAOYSA-N 1 0 395.294 1.571 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000443292501 647197648 /nfs/dbraw/zinc/19/76/48/647197648.db2.gz HMSVLHSTBXHQJY-ZDUSSCGKSA-N 1 0 381.420 1.472 20 0 GDADRO Cc1cnc(Cl)c(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000920265650 660268082 /nfs/dbraw/zinc/26/80/82/660268082.db2.gz HDQWVFCZIIUJQQ-LGWLGOQQSA-N 1 0 387.933 1.801 20 0 GDADRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000444145792 647243637 /nfs/dbraw/zinc/24/36/37/647243637.db2.gz XZQYNVWSOAWNBZ-WBVHZDCISA-N 1 0 383.901 1.173 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3nc(C)c(C)s3)C2)[C@@H]1C(C)C ZINC000920303306 660269463 /nfs/dbraw/zinc/26/94/63/660269463.db2.gz NZHISRTZKSBNLR-PNBKFKSVSA-N 1 0 387.571 1.908 20 0 GDADRO CC1(C)C[C@H]([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C(C)(C)O1 ZINC000444642017 647256291 /nfs/dbraw/zinc/25/62/91/647256291.db2.gz WHDKBWLRCHDBHJ-ZDUSSCGKSA-N 1 0 389.905 1.862 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000445555463 647270298 /nfs/dbraw/zinc/27/02/98/647270298.db2.gz BMSMHJXWBJCGCX-KBPBESRZSA-N 1 0 387.527 1.019 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000446440237 647288982 /nfs/dbraw/zinc/28/89/82/647288982.db2.gz DCADXAGWHRMEME-VIFPVBQESA-N 1 0 375.288 1.595 20 0 GDADRO C[C@@H](CNC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[NH+](C)C ZINC000454899367 647363638 /nfs/dbraw/zinc/36/36/38/647363638.db2.gz XANULJLOJGFABD-JTQLQIEISA-N 1 0 381.420 1.858 20 0 GDADRO O=C(NCC[N@@H+]1CCCOCC1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000454998216 647367594 /nfs/dbraw/zinc/36/75/94/647367594.db2.gz JSPQQOFSECCFNC-UHFFFAOYSA-N 1 0 386.949 1.951 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455852797 647390846 /nfs/dbraw/zinc/39/08/46/647390846.db2.gz WVYYYARHIZVAGZ-NSHDSACASA-N 1 0 381.278 2.488 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000460269942 647469322 /nfs/dbraw/zinc/46/93/22/647469322.db2.gz LTTGUIJZBUCCLP-MRXNPFEDSA-N 1 0 399.289 1.144 20 0 GDADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000460922202 647478763 /nfs/dbraw/zinc/47/87/63/647478763.db2.gz AUFPWDUJMOBJAR-UHFFFAOYSA-N 1 0 377.532 1.077 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000462369124 647525216 /nfs/dbraw/zinc/52/52/16/647525216.db2.gz OPBHHYMCNWCNPC-UHFFFAOYSA-N 1 0 383.495 1.327 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462653498 647536660 /nfs/dbraw/zinc/53/66/60/647536660.db2.gz HQWNKJSMKNKYHX-PXAZEXFGSA-N 1 0 380.286 1.779 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000462661893 647537161 /nfs/dbraw/zinc/53/71/61/647537161.db2.gz VJWHEMBRTZKSCH-UHFFFAOYSA-N 1 0 384.483 1.077 20 0 GDADRO CS(=O)(=O)NCC[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C1CC1 ZINC000463192432 647551669 /nfs/dbraw/zinc/55/16/69/647551669.db2.gz LKWYRHPOKUGKKX-MRXNPFEDSA-N 1 0 376.906 1.231 20 0 GDADRO CSC1(CNC(=O)CSc2nnnn2CC(F)(F)F)CC[NH+](C)CC1 ZINC000464698629 647587094 /nfs/dbraw/zinc/58/70/94/647587094.db2.gz FGQVVCWHJUHMOT-UHFFFAOYSA-N 1 0 398.480 1.271 20 0 GDADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCNS(=O)(=O)CC)C1 ZINC000464731032 647587122 /nfs/dbraw/zinc/58/71/22/647587122.db2.gz KIQRVFHOFVPLLF-CYBMUJFWSA-N 1 0 387.468 1.439 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000465785764 647603600 /nfs/dbraw/zinc/60/36/00/647603600.db2.gz KOURZXGWIMUTOM-DOMZBBRYSA-N 1 0 397.317 1.961 20 0 GDADRO CN(C)c1ncc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cn1 ZINC000466384304 647612593 /nfs/dbraw/zinc/61/25/93/647612593.db2.gz WNXDJXWKYJDJBB-UHFFFAOYSA-N 1 0 383.905 1.654 20 0 GDADRO CN(CCC[NH+]1CCCC1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000467663604 647649455 /nfs/dbraw/zinc/64/94/55/647649455.db2.gz JJJLLNLVIFBACP-UHFFFAOYSA-N 1 0 387.933 1.905 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1c(Cl)cccc1I ZINC000468048990 647656448 /nfs/dbraw/zinc/65/64/48/647656448.db2.gz RQGHMPPTABKJSY-CYBMUJFWSA-N 1 0 396.656 1.987 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2ccccc2Br)CC1=O ZINC000468817389 647677311 /nfs/dbraw/zinc/67/73/11/647677311.db2.gz CMPCNMSZHPLMPE-AWEZNQCLSA-N 1 0 382.302 1.518 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCC2CS(=O)(=O)C2)cc1 ZINC000469008974 647691177 /nfs/dbraw/zinc/69/11/77/647691177.db2.gz RLQSXIHTLSPDEI-AWEZNQCLSA-N 1 0 388.555 1.802 20 0 GDADRO CN(C(=O)CCNS(=O)(=O)c1ccccc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000475828840 647766291 /nfs/dbraw/zinc/76/62/91/647766291.db2.gz GKAXWTUMDMJFOB-CQSZACIVSA-N 1 0 385.917 1.704 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)Cc1ccsc1Br)C[NH+](C)C ZINC000921635256 660317345 /nfs/dbraw/zinc/31/73/45/660317345.db2.gz KPCWKMGKFGKZDL-NSHDSACASA-N 1 0 385.349 1.897 20 0 GDADRO COC(=O)CC1(CS(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)CC1 ZINC000477129613 647794668 /nfs/dbraw/zinc/79/46/68/647794668.db2.gz WGQLOZWKKXRUGK-KGLIPLIRSA-N 1 0 376.544 1.171 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000477314227 647799388 /nfs/dbraw/zinc/79/93/88/647799388.db2.gz AVTMCRZMZNDMSV-WDEREUQCSA-N 1 0 377.304 1.712 20 0 GDADRO NC(=O)[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cccc(Br)c1 ZINC000478942738 647821697 /nfs/dbraw/zinc/82/16/97/647821697.db2.gz ZJSJHJNCZHAGKT-HNNXBMFYSA-N 1 0 380.286 1.966 20 0 GDADRO C[C@H](C(=O)Nc1ccc(I)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479747670 647835413 /nfs/dbraw/zinc/83/54/13/647835413.db2.gz CKCFMCLKRDKJAH-UTUOFQBUSA-N 1 0 385.249 1.769 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000921617966 660315198 /nfs/dbraw/zinc/31/51/98/660315198.db2.gz XCSVPWRLAGFYHY-KBPBESRZSA-N 1 0 377.551 1.987 20 0 GDADRO CO[C@@H](CCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C(F)(F)F ZINC000480366770 647845563 /nfs/dbraw/zinc/84/55/63/647845563.db2.gz ZYSJZZRCXJFEQT-LBPRGKRZSA-N 1 0 386.440 1.307 20 0 GDADRO COCn1nccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000480519999 647852021 /nfs/dbraw/zinc/85/20/21/647852021.db2.gz DEVDLJWDBFVMIT-AWEZNQCLSA-N 1 0 384.527 1.739 20 0 GDADRO CCOCCOC[C@@H](O)C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000480922201 647861316 /nfs/dbraw/zinc/86/13/16/647861316.db2.gz AIZLJCGVQOFAGR-ZDUSSCGKSA-N 1 0 390.274 1.724 20 0 GDADRO Cc1c([C@@H](C)NC[C@@H](O)C[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000482638644 647896959 /nfs/dbraw/zinc/89/69/59/647896959.db2.gz BIAHSALKVQTMNN-IAQYHMDHSA-N 1 0 382.306 1.911 20 0 GDADRO OC[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000483317053 647902475 /nfs/dbraw/zinc/90/24/75/647902475.db2.gz SXTZQOVNXPWUHD-GDBMZVCRSA-N 1 0 392.265 1.705 20 0 GDADRO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000485900247 647931685 /nfs/dbraw/zinc/93/16/85/647931685.db2.gz ZENITXHSGFMRRQ-ZFWWWQNUSA-N 1 0 385.555 1.551 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](CO)CCSC)CC2)cc1 ZINC000493779253 648000866 /nfs/dbraw/zinc/00/08/66/648000866.db2.gz ANAPMGKKCOJCMD-HNNXBMFYSA-N 1 0 388.555 1.552 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000495730175 648015598 /nfs/dbraw/zinc/01/55/98/648015598.db2.gz UGUSWTPWKHSPDZ-HZPDHXFCSA-N 1 0 385.555 1.956 20 0 GDADRO CCOc1cccc(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1OC(F)F ZINC000497337415 648025039 /nfs/dbraw/zinc/02/50/39/648025039.db2.gz DBXKKHVZQQHGDB-LLVKDONJSA-N 1 0 380.413 1.065 20 0 GDADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC1 ZINC000497354970 648026178 /nfs/dbraw/zinc/02/61/78/648026178.db2.gz PFFKHNQIDNETEL-NSHDSACASA-N 1 0 394.946 1.633 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000497579801 648032828 /nfs/dbraw/zinc/03/28/28/648032828.db2.gz UBLYNDNGTUJJCZ-UHFFFAOYSA-N 1 0 378.420 1.834 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)sc1C ZINC000497592115 648033458 /nfs/dbraw/zinc/03/34/58/648033458.db2.gz KGCJVPTVAWXXNZ-CABCVRRESA-N 1 0 385.555 1.634 20 0 GDADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000497600514 648033773 /nfs/dbraw/zinc/03/37/73/648033773.db2.gz BEEWKEOFLRCHOF-UHFFFAOYSA-N 1 0 382.935 1.490 20 0 GDADRO C[C@@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1ccc(OCC(F)(F)F)cc1 ZINC000497711609 648035888 /nfs/dbraw/zinc/03/58/88/648035888.db2.gz HBGNRYOSSUJHCZ-ZWNOBZJWSA-N 1 0 382.404 1.567 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000497750572 648036737 /nfs/dbraw/zinc/03/67/37/648036737.db2.gz PAYHLZVANTZDFO-SNVBAGLBSA-N 1 0 389.237 1.604 20 0 GDADRO Cc1sc(CCNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)nc1-c1ccccc1 ZINC000498082299 648049044 /nfs/dbraw/zinc/04/90/44/648049044.db2.gz NSMQTPMIHSTKLR-AWEZNQCLSA-N 1 0 381.523 1.539 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000498495437 648060276 /nfs/dbraw/zinc/06/02/76/648060276.db2.gz PFCBEGNYAKZTQY-UHFFFAOYSA-N 1 0 385.486 1.739 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C[N@H+](CCO)CCOCC(F)(F)F)cc1 ZINC000499059435 648074203 /nfs/dbraw/zinc/07/42/03/648074203.db2.gz QIBUUQBKJWJBSP-UHFFFAOYSA-N 1 0 384.420 1.310 20 0 GDADRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000500074037 648098658 /nfs/dbraw/zinc/09/86/58/648098658.db2.gz HCVLGQMVNSOIDI-INIZCTEOSA-N 1 0 377.551 1.052 20 0 GDADRO O=C(NCC(F)(F)F)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000501033066 648126103 /nfs/dbraw/zinc/12/61/03/648126103.db2.gz QHYMVNQDGSDFMF-UHFFFAOYSA-N 1 0 375.416 1.895 20 0 GDADRO C[C@H]1C[C@H](NC(=O)c2cc(Cn3cc(Br)cn3)on2)CC[N@@H+]1C ZINC000501144298 648131183 /nfs/dbraw/zinc/13/11/83/648131183.db2.gz VDFIXKUUXKZKOA-CMPLNLGQSA-N 1 0 382.262 1.894 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC000502664533 648167557 /nfs/dbraw/zinc/16/75/57/648167557.db2.gz HORAVALYNHZOCA-UHFFFAOYSA-N 1 0 376.563 1.797 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000503243924 648183879 /nfs/dbraw/zinc/18/38/79/648183879.db2.gz VMVSSJZCKGLVNI-LSDHHAIUSA-N 1 0 393.619 1.674 20 0 GDADRO C[C@H]1CN(C(=O)CCOCC(F)(F)C(F)(F)F)CC[N@@H+]1CC(C)(C)O ZINC000507332106 648240849 /nfs/dbraw/zinc/24/08/49/648240849.db2.gz QQUPSDORCGFYLF-NSHDSACASA-N 1 0 376.366 1.894 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000507625314 648252122 /nfs/dbraw/zinc/25/21/22/648252122.db2.gz NYWQIYLJGLDXJD-VHSXEESVSA-N 1 0 389.315 1.983 20 0 GDADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000508757686 648258191 /nfs/dbraw/zinc/25/81/91/648258191.db2.gz ZYMINIOWPIPGJF-HZPDHXFCSA-N 1 0 377.551 1.052 20 0 GDADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H](CCOC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000508999445 648264494 /nfs/dbraw/zinc/26/44/94/648264494.db2.gz PTPSGNQYXSYQHT-XHSDSOJGSA-N 1 0 376.563 1.841 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@H+](C)C(C)C)c1 ZINC000509242123 648276389 /nfs/dbraw/zinc/27/63/89/648276389.db2.gz VNSPJYAVZQBELH-UHFFFAOYSA-N 1 0 391.559 1.336 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510988771 648348546 /nfs/dbraw/zinc/34/85/46/648348546.db2.gz WUKCCPRDOIDRGA-JTQLQIEISA-N 1 0 386.898 1.170 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn2ccc(Br)cc2n1 ZINC000511210425 648359064 /nfs/dbraw/zinc/35/90/64/648359064.db2.gz WFCKDVOTWNMJFZ-CYBMUJFWSA-N 1 0 381.274 1.937 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H]2CSC[C@H]2C)c1 ZINC000512147773 648398058 /nfs/dbraw/zinc/39/80/58/648398058.db2.gz LXTNCFDUUKUXRZ-CJNGLKHVSA-N 1 0 385.555 1.997 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)NCc1ccco1 ZINC000512167444 648398597 /nfs/dbraw/zinc/39/85/97/648398597.db2.gz RPBSXYJNYINRGD-LBPRGKRZSA-N 1 0 383.495 1.644 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1I ZINC000514672914 648458752 /nfs/dbraw/zinc/45/87/52/648458752.db2.gz YUUCQEXKHUHUCA-WDEREUQCSA-N 1 0 394.278 1.957 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCc2cccc(Br)c2C1 ZINC000514854953 648469298 /nfs/dbraw/zinc/46/92/98/648469298.db2.gz CMOOBZZSBVMRTG-CJNGLKHVSA-N 1 0 392.297 1.544 20 0 GDADRO Cc1nc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])nn1-c1c(Cl)cccc1Cl ZINC000514936419 648472003 /nfs/dbraw/zinc/47/20/03/648472003.db2.gz REOWRKGJQKISBW-NSHDSACASA-N 1 0 383.283 1.597 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)C1 ZINC000515072230 648479316 /nfs/dbraw/zinc/47/93/16/648479316.db2.gz YQXSGFKHMNVBRL-MLGOLLRUSA-N 1 0 380.286 1.790 20 0 GDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000515097540 648481065 /nfs/dbraw/zinc/48/10/65/648481065.db2.gz OECVAKMSKYTHAD-NSHDSACASA-N 1 0 394.324 1.824 20 0 GDADRO CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000515307909 648489147 /nfs/dbraw/zinc/48/91/47/648489147.db2.gz BEAXFBGZIIJGOZ-CHWSQXEVSA-N 1 0 384.274 1.253 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000515386256 648493647 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384.274 1.984 20 0 GDADRO O=C(CCOC1C[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000573448609 651478614 /nfs/dbraw/zinc/47/86/14/651478614.db2.gz IYWCMPJDDHETTM-UHFFFAOYSA-N 1 0 382.302 1.472 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)s1 ZINC000573549011 651483788 /nfs/dbraw/zinc/48/37/88/651483788.db2.gz UXCOOAACUFSSMH-BXUZGUMPSA-N 1 0 388.559 1.270 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000573606191 651485887 /nfs/dbraw/zinc/48/58/87/651485887.db2.gz IHTXHVOEGDIGID-PWSUYJOCSA-N 1 0 389.905 1.973 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000573724081 651493221 /nfs/dbraw/zinc/49/32/21/651493221.db2.gz PDTYWRGOSRTBRB-UHFFFAOYSA-N 1 0 392.681 1.071 20 0 GDADRO Cc1csc([C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C(F)(F)F)n1 ZINC000573983413 651507416 /nfs/dbraw/zinc/50/74/16/651507416.db2.gz ZGOPNIAPBMXMFU-BBBLOLIVSA-N 1 0 377.392 1.008 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC1(C)CCCC1 ZINC000574191980 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GDADRO [NH3+][C@H]1CCCN(C(=O)c2sc3c(c2I)CNC3)C1 ZINC000595919078 652426403 /nfs/dbraw/zinc/42/64/03/652426403.db2.gz GWIOGTQJYPXQMR-ZETCQYMHSA-N 1 0 377.251 1.519 20 0 GDADRO COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3csc(CC[NH3+])n3)C2)s1 ZINC000595998250 652431893 /nfs/dbraw/zinc/43/18/93/652431893.db2.gz YFUBPNCNSUWRAG-SNVBAGLBSA-N 1 0 380.495 1.907 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(c3ncnc4cc(F)c(Br)cc43)CCN2C1=O ZINC000596014559 652433181 /nfs/dbraw/zinc/43/31/81/652433181.db2.gz QNHFWNPBFYOSEP-UFBFGSQYSA-N 1 0 380.221 1.280 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1F ZINC000597064219 652446530 /nfs/dbraw/zinc/44/65/30/652446530.db2.gz PGMGLIKGCZUGJG-GFCCVEGCSA-N 1 0 387.454 1.598 20 0 GDADRO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000599003849 652477193 /nfs/dbraw/zinc/47/71/93/652477193.db2.gz GMXFXVRTUNLDLY-CYBMUJFWSA-N 1 0 383.286 1.965 20 0 GDADRO Nc1nc(N2CCC[C@H]2c2ccccc2I)nc(N)[nH+]1 ZINC000599043274 652478359 /nfs/dbraw/zinc/47/83/59/652478359.db2.gz HYXFIPVJNAIJID-JTQLQIEISA-N 1 0 382.209 1.643 20 0 GDADRO CO[C@H](CS(=O)(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1)c1ccc(F)cc1 ZINC000599269488 652482544 /nfs/dbraw/zinc/48/25/44/652482544.db2.gz UGVJFKAEXDRCBA-OAGGEKHMSA-N 1 0 376.519 1.820 20 0 GDADRO CC(C)(C)OC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)CC1 ZINC000599425961 652496613 /nfs/dbraw/zinc/49/66/13/652496613.db2.gz SWGIYBGBARFBGN-SYJJWHGVSA-N 1 0 375.531 1.616 20 0 GDADRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000599568649 652508338 /nfs/dbraw/zinc/50/83/38/652508338.db2.gz HJLZOJVQZSMORP-BDJLRTHQSA-N 1 0 378.252 1.997 20 0 GDADRO CCOC(=O)[C@@](C)(O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572644 652509055 /nfs/dbraw/zinc/50/90/55/652509055.db2.gz DJULRSASBMNZNJ-IRXDYDNUSA-N 1 0 386.286 1.573 20 0 GDADRO CN(CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000599864192 652516338 /nfs/dbraw/zinc/51/63/38/652516338.db2.gz CKQQMANCYZZVPF-GFCCVEGCSA-N 1 0 391.946 1.717 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N(CC)CC[NH3+])sc2c1CCCS2 ZINC000599888708 652516627 /nfs/dbraw/zinc/51/66/27/652516627.db2.gz XIOJDRLGAJCFDC-UHFFFAOYSA-N 1 0 385.511 1.709 20 0 GDADRO COC(=O)[C@]1(NC(=O)[C@H]2CC[N@H+](C)C2)CCc2cc(Br)ccc2C1 ZINC000600358300 652535244 /nfs/dbraw/zinc/53/52/44/652535244.db2.gz WGWZHMARWSRRGT-KSSFIOAISA-N 1 0 395.297 1.918 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000601397604 652575961 /nfs/dbraw/zinc/57/59/61/652575961.db2.gz PMZHROFMMOFJGR-ZJUUUORDSA-N 1 0 384.449 1.629 20 0 GDADRO CCO[C@@H]1C[C@](NS(=O)(=O)CCC[NH+]2CCCC2)(C(=O)OC)C1(C)C ZINC000601400816 652576434 /nfs/dbraw/zinc/57/64/34/652576434.db2.gz YTLLCXDZPGGXEL-PBHICJAKSA-N 1 0 376.519 1.139 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1OC ZINC000601422732 652579350 /nfs/dbraw/zinc/57/93/50/652579350.db2.gz XSBZBLGAHFANDR-ZWNOBZJWSA-N 1 0 390.889 1.848 20 0 GDADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)C1 ZINC000601474559 652586424 /nfs/dbraw/zinc/58/64/24/652586424.db2.gz QSWWJEFSNQJCFS-GJZGRUSLSA-N 1 0 375.535 1.359 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000601575719 652595234 /nfs/dbraw/zinc/59/52/34/652595234.db2.gz RNYUNUUFCMYKFB-MWLCHTKSSA-N 1 0 387.221 1.486 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)c2c(C)c(Br)c[nH]c2=O)CC[N@H+](C)C1 ZINC000601634085 652596974 /nfs/dbraw/zinc/59/69/74/652596974.db2.gz YIKQNMURBDVQIW-JTQLQIEISA-N 1 0 386.246 1.035 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000602019964 652614060 /nfs/dbraw/zinc/61/40/60/652614060.db2.gz OYZKBFBCZQUVHE-UHFFFAOYSA-N 1 0 388.251 1.929 20 0 GDADRO O=C(C[NH2+][C@@H]1CCNC(=O)CC1)Nc1ccc(I)cc1 ZINC000602015692 652614131 /nfs/dbraw/zinc/61/41/31/652614131.db2.gz GZRUPVHDZNVQOX-NSHDSACASA-N 1 0 387.221 1.488 20 0 GDADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3[nH]nc(C4CC4)c3Br)C2)CC1 ZINC000602205025 652624062 /nfs/dbraw/zinc/62/40/62/652624062.db2.gz OBNGJSINDVOKEC-LBPRGKRZSA-N 1 0 396.333 1.948 20 0 GDADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1nn(C)cc1I ZINC000602350942 652632541 /nfs/dbraw/zinc/63/25/41/652632541.db2.gz IMOIQCKYDLGNGR-IVZWLZJFSA-N 1 0 376.242 1.578 20 0 GDADRO C[C@@]1(C(=O)NCCc2ccc(I)s2)C[NH2+]CCO1 ZINC000602451616 652637195 /nfs/dbraw/zinc/63/71/95/652637195.db2.gz QPWBSCGSGATNOV-LBPRGKRZSA-N 1 0 380.251 1.390 20 0 GDADRO C[C@]1(C(=O)NCCc2ccc(I)s2)C[NH2+]CCO1 ZINC000602451612 652637247 /nfs/dbraw/zinc/63/72/47/652637247.db2.gz QPWBSCGSGATNOV-GFCCVEGCSA-N 1 0 380.251 1.390 20 0 GDADRO CCN(C[C@H]1CCN(C(=O)C2([S@@](C)=O)CC[NH2+]CC2)C1)CC(F)(F)F ZINC000602481758 652639519 /nfs/dbraw/zinc/63/95/19/652639519.db2.gz DQTWFIYVOMHEEX-YMXBGEKHSA-N 1 0 383.480 1.220 20 0 GDADRO COC(=O)[C@]1(NC(=O)C[C@@H](C[NH3+])OC)CCc2cc(Br)ccc2C1 ZINC000602545190 652640325 /nfs/dbraw/zinc/64/03/25/652640325.db2.gz UYCGHOQWSMXLGS-YOEHRIQHSA-N 1 0 399.285 1.330 20 0 GDADRO C[C@@H](CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[S@](C)=O ZINC000602595799 652642710 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CC(C)(O)C[NH+]1CCC(NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000638771708 653543335 /nfs/dbraw/zinc/54/33/35/653543335.db2.gz HUKJQVZUGABEHO-UHFFFAOYSA-N 1 0 395.978 1.505 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638796303 653543693 /nfs/dbraw/zinc/54/36/93/653543693.db2.gz FCENBSHNPGUPBD-LLVKDONJSA-N 1 0 380.436 1.752 20 0 GDADRO [NH3+][C@H]1CCCCCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000638823588 653544232 /nfs/dbraw/zinc/54/42/32/653544232.db2.gz NVIZKMRMCLYAQQ-LBPRGKRZSA-N 1 0 375.441 1.363 20 0 GDADRO [NH3+][C@H]1CC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC1 ZINC000639029178 653544814 /nfs/dbraw/zinc/54/48/14/653544814.db2.gz ZFUNNAHFWDWEJQ-HAQNSBGRSA-N 1 0 389.568 1.485 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC(=O)N1Cc1ccccc1 ZINC000639135447 653547222 /nfs/dbraw/zinc/54/72/22/653547222.db2.gz JDIPPDBOALEJMG-IUODEOHRSA-N 1 0 379.507 1.675 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000639238505 653548147 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CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)CC[C@@H]1[NH3+] ZINC000642187636 653577531 /nfs/dbraw/zinc/57/75/31/653577531.db2.gz WHWVVFBQOYHUOC-LOWVWBTDSA-N 1 0 383.290 1.607 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000642265451 653578188 /nfs/dbraw/zinc/57/81/88/653578188.db2.gz SHERBINWTKMZIN-BXKDBHETSA-N 1 0 387.267 1.068 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)Oc1cccc(Br)c1 ZINC000642777857 653579162 /nfs/dbraw/zinc/57/91/62/653579162.db2.gz QMCZIMCJAPAMPH-OCCSQVGLSA-N 1 0 398.301 1.591 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642808439 653579469 /nfs/dbraw/zinc/57/94/69/653579469.db2.gz PRQIYSFCJKVPIC-NSHDSACASA-N 1 0 398.301 1.975 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)CCO1 ZINC000643491166 653583100 /nfs/dbraw/zinc/58/31/00/653583100.db2.gz WDYDNBBQOWUBIP-JOYOIKCWSA-N 1 0 390.303 1.044 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643494791 653583113 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O=C(C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)N1CCCC1 ZINC000644514860 653599058 /nfs/dbraw/zinc/59/90/58/653599058.db2.gz YKHZGEYMLGQVJT-ZDUSSCGKSA-N 1 0 375.238 1.540 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000644537324 653599227 /nfs/dbraw/zinc/59/92/27/653599227.db2.gz ZICFMTKVMGHARL-INIZCTEOSA-N 1 0 376.906 1.233 20 0 GDADRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)NS(C)(=O)=O ZINC000644557419 653599289 /nfs/dbraw/zinc/59/92/89/653599289.db2.gz WPVPBLSCPMRENW-NSHDSACASA-N 1 0 384.420 1.363 20 0 GDADRO CCC(=O)N1CC[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000644598106 653599541 /nfs/dbraw/zinc/59/95/41/653599541.db2.gz GVVZMSVVCZBNPO-ZDUSSCGKSA-N 1 0 389.315 1.823 20 0 GDADRO O=C1C[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)[C@H]2CCCCN12 ZINC000644641302 653599866 /nfs/dbraw/zinc/59/98/66/653599866.db2.gz PRUSPIUSOWULAN-CWRNSKLLSA-N 1 0 383.286 1.932 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000645239464 653602003 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20 0 GDADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000647047116 653619424 /nfs/dbraw/zinc/61/94/24/653619424.db2.gz PQNLRVGUJLSDKF-XYPYZODXSA-N 1 0 379.935 1.561 20 0 GDADRO C[C@@H](NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000647068364 653619949 /nfs/dbraw/zinc/61/99/49/653619949.db2.gz MYRSMPHWMNDSIL-WDEREUQCSA-N 1 0 377.304 1.855 20 0 GDADRO O=S(=O)(NCc1nc([C@@H]2CCC[NH2+]2)no1)c1ccc(Br)s1 ZINC000647150397 653622430 /nfs/dbraw/zinc/62/24/30/653622430.db2.gz FALOPOBUSIMDEA-ZETCQYMHSA-N 1 0 393.288 1.797 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[NH2+]C2CC2)cc1 ZINC000647210011 653623365 /nfs/dbraw/zinc/62/33/65/653623365.db2.gz DPWFFAQAMGEMBP-UHFFFAOYSA-N 1 0 375.516 1.259 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N(C)CCC[NH3+] ZINC000647225813 653623530 /nfs/dbraw/zinc/62/35/30/653623530.db2.gz BYMLOMVTYVLJEO-UHFFFAOYSA-N 1 0 381.292 1.444 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CCO1 ZINC000647234869 653624106 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385.917 1.574 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1F ZINC000647335558 653626334 /nfs/dbraw/zinc/62/63/34/653626334.db2.gz PVECKWKAGOVTMT-QWRGUYRKSA-N 1 0 381.495 1.382 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000647324925 653626396 /nfs/dbraw/zinc/62/63/96/653626396.db2.gz NPBUHGQPCGVJIU-GJZGRUSLSA-N 1 0 389.905 1.651 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000647494199 653627572 /nfs/dbraw/zinc/62/75/72/653627572.db2.gz DETXLQZECNXHTC-ZJUUUORDSA-N 1 0 395.261 1.210 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000647494196 653627592 /nfs/dbraw/zinc/62/75/92/653627592.db2.gz DETXLQZECNXHTC-NXEZZACHSA-N 1 0 395.261 1.210 20 0 GDADRO OC[C@H](C[NH2+]C[C@H](O)COC1CCOCC1)Cc1c(F)cccc1Cl ZINC000647529534 653628239 /nfs/dbraw/zinc/62/82/39/653628239.db2.gz QVPCLRYCXVABEX-KBPBESRZSA-N 1 0 375.868 1.776 20 0 GDADRO O=C(CC[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)Nc1ccccc1F 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GQBFOCCVDIUXBB-HOCLYGCPSA-N 1 0 398.349 1.835 20 0 GDADRO O=C(NCCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc(Br)cc1 ZINC000648845239 653657673 /nfs/dbraw/zinc/65/76/73/653657673.db2.gz CYXZBAVIOHPBFG-RISCZKNCSA-N 1 0 381.274 1.781 20 0 GDADRO C[C@@H]1[C@H](C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC[N@@H+]1C ZINC000648925466 653660349 /nfs/dbraw/zinc/66/03/49/653660349.db2.gz LTRZVPQDNQIBDE-VXGBXAGGSA-N 1 0 383.290 1.959 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649070694 653663239 /nfs/dbraw/zinc/66/32/39/653663239.db2.gz STJLNJFZVZLJJY-SNVBAGLBSA-N 1 0 385.262 1.050 20 0 GDADRO CC(C)c1n[nH]c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1Br ZINC000649075646 653663779 /nfs/dbraw/zinc/66/37/79/653663779.db2.gz IFJKCGZQVNXIMC-SNVBAGLBSA-N 1 0 386.294 1.488 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649299387 653666647 /nfs/dbraw/zinc/66/66/47/653666647.db2.gz PILMTBUDCNAMSJ-NHAGDIPZSA-N 1 0 393.285 1.487 20 0 GDADRO C[C@H](CSc1ccccc1)N(C)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000649665323 653671303 /nfs/dbraw/zinc/67/13/03/653671303.db2.gz HXVRAWZBUOGMRG-OAHLLOKOSA-N 1 0 387.571 1.497 20 0 GDADRO C[NH+](C)CCN1CCN(CCC(=O)Nc2cccc(Br)c2)CC1=O ZINC000649686325 653671901 /nfs/dbraw/zinc/67/19/01/653671901.db2.gz CZAFYIBDJRUXEG-UHFFFAOYSA-N 1 0 397.317 1.484 20 0 GDADRO C[NH+](C)CCN1CCN(Cc2cc3c(cc2Br)OCO3)CC1=O ZINC000649688730 653672109 /nfs/dbraw/zinc/67/21/09/653672109.db2.gz LWLODNZKXMREOL-UHFFFAOYSA-N 1 0 384.274 1.384 20 0 GDADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000649744708 653672937 /nfs/dbraw/zinc/67/29/37/653672937.db2.gz LGYKLOBGQULQMW-MJBXVCDLSA-N 1 0 378.238 1.410 20 0 GDADRO COCC[N@@H+]1CCN(Cc2ccc(S(=O)(=O)N(C)C)s2)C(C)(C)C1 ZINC000649851444 653676206 /nfs/dbraw/zinc/67/62/06/653676206.db2.gz XMYRJECIVFENDV-UHFFFAOYSA-N 1 0 375.560 1.541 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(COC)CCC2)[C@@H](C)C1 ZINC000651562675 653831385 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GDADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000652291349 653887098 /nfs/dbraw/zinc/88/70/98/653887098.db2.gz PFVNTEYHWMSPHC-UHFFFAOYSA-N 1 0 399.289 1.031 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000652368518 653888846 /nfs/dbraw/zinc/88/88/46/653888846.db2.gz HHXYTBFWLWZXJL-NSHDSACASA-N 1 0 377.869 1.487 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000652367985 653888869 /nfs/dbraw/zinc/88/88/69/653888869.db2.gz SUBMNKWZTXUMPV-CQSZACIVSA-N 1 0 383.290 1.394 20 0 GDADRO O=S(=O)(c1ccc2c(c1)CS(=O)(=O)C2)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000652371982 653889265 /nfs/dbraw/zinc/88/92/65/653889265.db2.gz MGOXYPUHRKBNKE-GUYCJALGSA-N 1 0 384.523 1.268 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC1 ZINC000652633940 653894432 /nfs/dbraw/zinc/89/44/32/653894432.db2.gz IFXNBGUYIGYWPK-UHFFFAOYSA-N 1 0 384.249 1.723 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2cccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000652679927 653896629 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C[NH+](C)CC[C@H](N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000653069397 653905003 /nfs/dbraw/zinc/90/50/03/653905003.db2.gz MDHUTJWFTRJETL-AWEZNQCLSA-N 1 0 387.311 1.557 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000653065051 653905084 /nfs/dbraw/zinc/90/50/84/653905084.db2.gz RDOHJKWBULLRPN-HNNXBMFYSA-N 1 0 387.311 1.557 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653082359 653905609 /nfs/dbraw/zinc/90/56/09/653905609.db2.gz SBLUGLHGFFOWFB-SJCJKPOMSA-N 1 0 396.285 1.438 20 0 GDADRO C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000653104528 653906234 /nfs/dbraw/zinc/90/62/34/653906234.db2.gz KFNIBDBSBOAZLB-GXFFZTMASA-N 1 0 396.289 1.955 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653098092 653906251 /nfs/dbraw/zinc/90/62/51/653906251.db2.gz BGBXWVZDBNOHGG-CFVMTHIKSA-N 1 0 383.286 1.836 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000653112149 653906539 /nfs/dbraw/zinc/90/65/39/653906539.db2.gz NTNHWEHSDFCYFK-CZUORRHYSA-N 1 0 383.334 1.671 20 0 GDADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653119174 653906556 /nfs/dbraw/zinc/90/65/56/653906556.db2.gz AIPOWPAMNRBPLK-DCGLDWPTSA-N 1 0 380.286 1.380 20 0 GDADRO CCO[C@@H]1CN(C(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)C[C@H]1C[NH3+] ZINC000653248270 653909201 /nfs/dbraw/zinc/90/92/01/653909201.db2.gz KVXWOWRXADPJMH-LALPHHSUSA-N 1 0 387.933 1.978 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000653265297 653909487 /nfs/dbraw/zinc/90/94/87/653909487.db2.gz MUDZRESBUQTNJU-QLFBSQMISA-N 1 0 398.301 1.498 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)c1ccc(Br)cn1 ZINC000653417006 653913120 /nfs/dbraw/zinc/91/31/20/653913120.db2.gz LJQIBIUBQRBUDI-ZDUSSCGKSA-N 1 0 397.317 1.966 20 0 GDADRO COCc1c(Br)cccc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653961028 653926658 /nfs/dbraw/zinc/92/66/58/653926658.db2.gz NBNKEILOFYRVDX-NWDGAFQWSA-N 1 0 384.274 1.878 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000654308060 653933581 /nfs/dbraw/zinc/93/35/81/653933581.db2.gz VOZZMHCTSFPQCS-HUUCEWRRSA-N 1 0 385.555 1.587 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654541620 653940077 /nfs/dbraw/zinc/94/00/77/653940077.db2.gz UCQDSKKHHTZAQU-KWCYVHTRSA-N 1 0 398.301 1.979 20 0 GDADRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)NC(N)=O ZINC000654636268 653942236 /nfs/dbraw/zinc/94/22/36/653942236.db2.gz OUUGPBVNRZGIIN-GFCCVEGCSA-N 1 0 385.306 1.786 20 0 GDADRO CC(C)CNC(=O)[C@@H]1CSCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000654663854 653943034 /nfs/dbraw/zinc/94/30/34/653943034.db2.gz GTHKKLDLRHALHW-HOTGVXAUSA-N 1 0 385.599 1.878 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000654888808 653950131 /nfs/dbraw/zinc/95/01/31/653950131.db2.gz YBJPQTAYSFSUES-GSJFWJNXSA-N 1 0 398.276 1.934 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 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/nfs/dbraw/zinc/15/81/76/654158176.db2.gz KRLMDZLJVOHJTI-LBPRGKRZSA-N 1 0 384.933 1.753 20 0 GDADRO CCCN1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000657741161 654161299 /nfs/dbraw/zinc/16/12/99/654161299.db2.gz DSHPNIYGAMYZDB-GFCCVEGCSA-N 1 0 376.320 1.670 20 0 GDADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658091579 654181547 /nfs/dbraw/zinc/18/15/47/654181547.db2.gz GHFSGVHDALRITJ-GFCCVEGCSA-N 1 0 385.306 1.811 20 0 GDADRO O=S(=O)(NCCCN1CC[NH2+]CC1)c1cc(Cl)cc(Br)c1 ZINC000658359730 654185184 /nfs/dbraw/zinc/18/51/84/654185184.db2.gz FUKHNCXZEPOJJQ-UHFFFAOYSA-N 1 0 396.738 1.676 20 0 GDADRO O=S(=O)(NCCN1CC[NH2+]CC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000658364344 654185865 /nfs/dbraw/zinc/18/58/65/654185865.db2.gz HOYKJJSLPAOSRY-UHFFFAOYSA-N 1 0 387.811 1.422 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CCO1 ZINC000658372946 654186211 /nfs/dbraw/zinc/18/62/11/654186211.db2.gz QCJQJJPVUINSQC-UFBFGSQYSA-N 1 0 383.695 1.839 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CCO1 ZINC000658372939 654186265 /nfs/dbraw/zinc/18/62/65/654186265.db2.gz QCJQJJPVUINSQC-PELKAZGASA-N 1 0 383.695 1.839 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000658397031 654189941 /nfs/dbraw/zinc/18/99/41/654189941.db2.gz AGOACTPGZQVMCC-CZUORRHYSA-N 1 0 388.555 1.927 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1OC ZINC000658406193 654190768 /nfs/dbraw/zinc/19/07/68/654190768.db2.gz PXCBNBBMHANTOL-UHFFFAOYSA-N 1 0 391.287 1.497 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC[C@H]1F ZINC000658407987 654191380 /nfs/dbraw/zinc/19/13/80/654191380.db2.gz HUSUDCCWCWTQPU-IACUBPJLSA-N 1 0 392.880 1.815 20 0 GDADRO O=C(c1cc(Br)ccc1-n1cnnn1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000658932569 654213065 /nfs/dbraw/zinc/21/30/65/654213065.db2.gz XWLGWRFTAKZLIK-QWRGUYRKSA-N 1 0 377.246 1.106 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c(Cl)cc1Br ZINC000659074605 654215235 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Cc1cc(Br)c(CNC(=O)NCCCN2CC[NH2+]CC2)s1 ZINC000659506027 654227680 /nfs/dbraw/zinc/22/76/80/654227680.db2.gz JNOMCYYLMLQTQE-UHFFFAOYSA-N 1 0 375.336 1.914 20 0 GDADRO [NH3+]C1(CNC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)CCCC1 ZINC000659573850 654229348 /nfs/dbraw/zinc/22/93/48/654229348.db2.gz SBZAWLHFCQVKPX-CQSZACIVSA-N 1 0 395.301 1.903 20 0 GDADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000660150893 654241372 /nfs/dbraw/zinc/24/13/72/654241372.db2.gz MSMALQDUAAUOOK-ZDUSSCGKSA-N 1 0 388.921 1.581 20 0 GDADRO CC(C)[N@H+](C)C[C@H](O)CN1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000660153814 654241388 /nfs/dbraw/zinc/24/13/88/654241388.db2.gz HPCSQYTZJBKDJR-HOTGVXAUSA-N 1 0 384.318 1.623 20 0 GDADRO CN1CC(=O)N(CC[NH2+]C(C)(C)COc2ncccc2Br)C1=O ZINC000660163680 654243178 /nfs/dbraw/zinc/24/31/78/654243178.db2.gz IIQLQBXYQWOMIK-UHFFFAOYSA-N 1 0 385.262 1.485 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000660177266 654244953 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COc1ccc(Br)c(CC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000662752563 654301632 /nfs/dbraw/zinc/30/16/32/654301632.db2.gz ZUUAOZVNCAEDGT-UHFFFAOYSA-N 1 0 381.230 1.271 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662756512 654302196 /nfs/dbraw/zinc/30/21/96/654302196.db2.gz IJMWHBZZHYZJJY-CJNGLKHVSA-N 1 0 383.334 1.591 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000662809805 654302907 /nfs/dbraw/zinc/30/29/07/654302907.db2.gz LHAFXFTUCYQACY-RYUDHWBXSA-N 1 0 381.230 1.479 20 0 GDADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000662825214 654303778 /nfs/dbraw/zinc/30/37/78/654303778.db2.gz FYBFULZROIXUBO-UHFFFAOYSA-N 1 0 391.273 1.768 20 0 GDADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000662821532 654304048 /nfs/dbraw/zinc/30/40/48/654304048.db2.gz GWCPEABNWJOVCT-HZPDHXFCSA-N 1 0 382.302 1.457 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000662880798 654316156 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Cn1nc(Br)cc1C[NH2+][C@H]1CCCN(Cc2ccccn2)C1=O ZINC000785515801 654919363 /nfs/dbraw/zinc/91/93/63/654919363.db2.gz SBFNSOHCGUIHGA-AWEZNQCLSA-N 1 0 378.274 1.858 20 0 GDADRO NS(=O)(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C(F)(F)F ZINC000785798654 654925463 /nfs/dbraw/zinc/92/54/63/654925463.db2.gz XMRNBOOODPMUNK-VXGBXAGGSA-N 1 0 379.404 1.628 20 0 GDADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000785802063 654925802 /nfs/dbraw/zinc/92/58/02/654925802.db2.gz GKYOICYGURCSTI-NWDGAFQWSA-N 1 0 388.921 1.512 20 0 GDADRO C[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000801519161 654926624 /nfs/dbraw/zinc/92/66/24/654926624.db2.gz IKWHYEUIYFHHLP-AWEZNQCLSA-N 1 0 375.535 1.599 20 0 GDADRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801523301 654926637 /nfs/dbraw/zinc/92/66/37/654926637.db2.gz OAAVGOBOUYTHLH-PBHICJAKSA-N 1 0 377.551 1.797 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000801555376 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655145993 /nfs/dbraw/zinc/14/59/93/655145993.db2.gz ITPAJYDEANJGEP-QGZVFWFLSA-N 1 0 377.526 1.567 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000810055987 655147389 /nfs/dbraw/zinc/14/73/89/655147389.db2.gz AYWQLVFGRQZRTB-HUUCEWRRSA-N 1 0 376.544 1.544 20 0 GDADRO Brc1ccccc1-n1cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nn1 ZINC000810142642 655152179 /nfs/dbraw/zinc/15/21/79/655152179.db2.gz OKNWYSFOGSUEFR-CABCVRRESA-N 1 0 392.301 1.983 20 0 GDADRO Cn1nnc(Br)c1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000810157967 655152484 /nfs/dbraw/zinc/15/24/84/655152484.db2.gz GCOCUETWGYYPOD-UHFFFAOYSA-N 1 0 382.262 1.448 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=S)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000795018204 655157934 /nfs/dbraw/zinc/15/79/34/655157934.db2.gz NONCENRRFYAHBX-UHFFFAOYSA-N 1 0 382.555 1.315 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)/C=C/c2ccccc2Br)C1 ZINC000762554248 655169633 /nfs/dbraw/zinc/16/96/33/655169633.db2.gz FGDDAKRPUMMPDZ-MRZGDXHCSA-N 1 0 375.288 1.406 20 0 GDADRO 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COc1cc([C@H](C)[NH2+]CC2(CC(N)=O)CC2)ccc1S(=O)(=O)C(F)F ZINC000817586223 655354496 /nfs/dbraw/zinc/35/44/96/655354496.db2.gz MPVFQUCGPVCSPV-JTQLQIEISA-N 1 0 376.425 1.998 20 0 GDADRO C[C@]1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(Cl)Cl ZINC000841909487 655354623 /nfs/dbraw/zinc/35/46/23/655354623.db2.gz CDBPMHYBLTXBCL-GXSJLCMTSA-N 1 0 377.238 1.706 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NC[C@H](O)c1ccccc1Br ZINC000841920513 655354733 /nfs/dbraw/zinc/35/47/33/655354733.db2.gz WDQIBUZJAALZGD-HNNXBMFYSA-N 1 0 385.306 1.077 20 0 GDADRO C[C@@H](NC(=O)NCCN1CC[NH2+]CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000841920540 655354751 /nfs/dbraw/zinc/35/47/51/655354751.db2.gz KXKZLQSGXBRMOI-IAQYHMDHSA-N 1 0 375.300 1.620 20 0 GDADRO C[C@]1(CNC(=O)C(=O)NCCSCc2ccnc(Cl)c2)CCC[NH2+]C1 ZINC000842021662 655355505 /nfs/dbraw/zinc/35/55/05/655355505.db2.gz RWZXLTZFCLZGAT-KRWDZBQOSA-N 1 0 384.933 1.590 20 0 GDADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842050996 655355907 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NS(=O)(=O)c1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)sc1Br ZINC000818001775 655364223 /nfs/dbraw/zinc/36/42/23/655364223.db2.gz PJOOYYQZQDBJJZ-MRVPVSSYSA-N 1 0 396.332 1.405 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)/C=C\c3ccc(Br)o3)C2)nn1 ZINC000818011106 655364551 /nfs/dbraw/zinc/36/45/51/655364551.db2.gz VTLAXHUAACXDLH-RNZFLTOJSA-N 1 0 380.246 1.969 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000842476311 655366505 /nfs/dbraw/zinc/36/65/05/655366505.db2.gz LNVREVWCUUDBRJ-ZETOZRRWSA-N 1 0 375.441 1.598 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000842480290 655366926 /nfs/dbraw/zinc/36/69/26/655366926.db2.gz TWIGUGUBIPXQOR-KOLCDFICSA-N 1 0 391.287 1.641 20 0 GDADRO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000818117691 655367003 /nfs/dbraw/zinc/36/70/03/655367003.db2.gz ZSYOIYRKZFGSRM-IAQYHMDHSA-N 1 0 384.267 1.973 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)ccc1Cl ZINC000842484110 655367803 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C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000842678770 655370877 /nfs/dbraw/zinc/37/08/77/655370877.db2.gz CMHBACCUSBKRSN-NSHDSACASA-N 1 0 382.454 1.303 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842690206 655371426 /nfs/dbraw/zinc/37/14/26/655371426.db2.gz OWXQPPFSAOJVEZ-WDEREUQCSA-N 1 0 382.454 1.573 20 0 GDADRO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842709295 655372619 /nfs/dbraw/zinc/37/26/19/655372619.db2.gz LXAABCAKBRHQHT-SNVBAGLBSA-N 1 0 386.417 1.258 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842712615 655372756 /nfs/dbraw/zinc/37/27/56/655372756.db2.gz QEAISTNOBIVVTR-JTQLQIEISA-N 1 0 386.417 1.210 20 0 GDADRO NC(=O)c1cn(CCCC[NH2+]Cc2cc(Br)cnc2Cl)nn1 ZINC000842712896 655372823 /nfs/dbraw/zinc/37/28/23/655372823.db2.gz YGFQNKPMYVOWEC-UHFFFAOYSA-N 1 0 387.669 1.758 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H](C)C[NH3+])c(Br)cc1F ZINC000842719002 655373269 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1.720 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+]CC2(C)C)c(Br)o1 ZINC000842730948 655374055 /nfs/dbraw/zinc/37/40/55/655374055.db2.gz RUKHRCKIQDPCGU-UHFFFAOYSA-N 1 0 381.248 1.201 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)C2(C[NH3+])CCC2)ccc1Cl ZINC000818596433 655377067 /nfs/dbraw/zinc/37/70/67/655377067.db2.gz FFGYYVPHTUFRPN-UHFFFAOYSA-N 1 0 375.878 1.475 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)c1 ZINC000842799556 655377995 /nfs/dbraw/zinc/37/79/95/655377995.db2.gz RIBAAJMFSWPSON-XYPYZODXSA-N 1 0 391.287 1.702 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(Br)cc1F ZINC000842807531 655378506 /nfs/dbraw/zinc/37/85/06/655378506.db2.gz ZSACJNRDNFTZTH-RDDDGLTNSA-N 1 0 395.250 1.343 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842829885 655380194 /nfs/dbraw/zinc/38/01/94/655380194.db2.gz IJBMNTRGJIULLD-NXEZZACHSA-N 1 0 386.417 1.256 20 0 GDADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000842848644 655380833 /nfs/dbraw/zinc/38/08/33/655380833.db2.gz SRMMAFZXXGRRHG-GFCCVEGCSA-N 1 0 386.417 1.340 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cnc1Cl ZINC000842853438 655380961 /nfs/dbraw/zinc/38/09/61/655380961.db2.gz XEGUQRYEFJLFDF-LLVKDONJSA-N 1 0 386.827 1.158 20 0 GDADRO Cc1ccc(/C=C\S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000842851241 655381001 /nfs/dbraw/zinc/38/10/01/655381001.db2.gz DGWYGKBOBCSTMM-UJNBGNEJSA-N 1 0 377.432 1.721 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)s1 ZINC000842869323 655381667 /nfs/dbraw/zinc/38/16/67/655381667.db2.gz JTXUHSMLGQRFNH-VIFPVBQESA-N 1 0 397.316 1.655 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1)C(F)(F)F ZINC000842871133 655381782 /nfs/dbraw/zinc/38/17/82/655381782.db2.gz MKPDGDWQFOXMQW-GXFFZTMASA-N 1 0 377.388 1.560 20 0 GDADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842871754 655381798 /nfs/dbraw/zinc/38/17/98/655381798.db2.gz VBWWHPGPVRIFBN-JTQLQIEISA-N 1 0 388.433 1.776 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CCC[NH3+])c(F)cc1Br ZINC000842880242 655382166 /nfs/dbraw/zinc/38/21/66/655382166.db2.gz ZEHRGQFFZNQXRL-QMMMGPOBSA-N 1 0 397.266 1.781 20 0 GDADRO O=c1n(CCC[NH2+]C[C@@H](O)c2cccc(Br)c2)nc2n1CCCC2 ZINC000818963865 655382382 /nfs/dbraw/zinc/38/23/82/655382382.db2.gz CUVWEISQYVLZKM-OAHLLOKOSA-N 1 0 395.301 1.857 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000842894589 655383339 /nfs/dbraw/zinc/38/33/39/655383339.db2.gz USHSYAUUOKYJLT-NWDGAFQWSA-N 1 0 387.889 1.532 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(F)cc1Cl)NC[C@H]1CCCCO1 ZINC000819052891 655384132 /nfs/dbraw/zinc/38/41/32/655384132.db2.gz GMIRNTYEHDPWMX-CJNGLKHVSA-N 1 0 394.896 1.591 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(F)cc1F)NC[C@@H]1CCCCO1 ZINC000819052302 655384138 /nfs/dbraw/zinc/38/41/38/655384138.db2.gz BXZJAGDISYPAOV-BBRMVZONSA-N 1 0 378.441 1.076 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000819064250 655384621 /nfs/dbraw/zinc/38/46/21/655384621.db2.gz VDWILOSCUNXYLC-ZDUSSCGKSA-N 1 0 384.395 1.852 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@@H](O)COc2ccccc2)CC1)C(F)(F)F ZINC000819148922 655386856 /nfs/dbraw/zinc/38/68/56/655386856.db2.gz FJOVPNLSOMSNCN-CYBMUJFWSA-N 1 0 382.404 1.330 20 0 GDADRO C[C@@](O)(C[NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(Br)cc1F ZINC000819171720 655387404 /nfs/dbraw/zinc/38/74/04/655387404.db2.gz MSXPOZSLJUNYRH-SMDDNHRTSA-N 1 0 380.279 1.963 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)COc1cccc(Br)c1)CC1CC1 ZINC000819172983 655387416 /nfs/dbraw/zinc/38/74/16/655387416.db2.gz IAJHALOCTHWFPR-CQSZACIVSA-N 1 0 392.315 1.603 20 0 GDADRO C[C@@](O)(C[NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(Br)cc1F ZINC000819171717 655387457 /nfs/dbraw/zinc/38/74/57/655387457.db2.gz MSXPOZSLJUNYRH-BXUZGUMPSA-N 1 0 380.279 1.963 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000819177750 655387563 /nfs/dbraw/zinc/38/75/63/655387563.db2.gz VPRHIDJOBRPXSE-XJKSGUPXSA-N 1 0 379.544 1.387 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000843074096 655387757 /nfs/dbraw/zinc/38/77/57/655387757.db2.gz BSZWQHYBNSKTOE-KGLIPLIRSA-N 1 0 389.290 1.958 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819188986 655387943 /nfs/dbraw/zinc/38/79/43/655387943.db2.gz CELNPRXDJOKSRV-RISCZKNCSA-N 1 0 395.294 1.635 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843074098 655387982 /nfs/dbraw/zinc/38/79/82/655387982.db2.gz BSZWQHYBNSKTOE-ZIAGYGMSSA-N 1 0 389.290 1.958 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000843097085 655388240 /nfs/dbraw/zinc/38/82/40/655388240.db2.gz HQLASSMRJNFDRK-AWEZNQCLSA-N 1 0 382.309 1.946 20 0 GDADRO O=S(=O)(c1ccc(Cc2nc(C3CC[NH2+]CC3)no2)s1)N1CCCC1 ZINC000843136805 655389117 /nfs/dbraw/zinc/38/91/17/655389117.db2.gz MBHUQDSLPXVMKP-UHFFFAOYSA-N 1 0 382.511 1.973 20 0 GDADRO [NH3+]CCc1noc(CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000843130455 655389159 /nfs/dbraw/zinc/38/91/59/655389159.db2.gz BAPQMDNWSWCTNN-LLVKDONJSA-N 1 0 384.223 1.935 20 0 GDADRO O=S(=O)(Cc1noc(C[C@H]2C[NH2+]CCO2)n1)c1cc(Cl)ccc1Cl ZINC000843201233 655389664 /nfs/dbraw/zinc/38/96/64/655389664.db2.gz YKODWALZNBKMHG-JTQLQIEISA-N 1 0 392.264 1.881 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819310790 655389748 /nfs/dbraw/zinc/38/97/48/655389748.db2.gz DJQUMNARGOSTON-DOMZBBRYSA-N 1 0 379.885 1.373 20 0 GDADRO [NH3+]CCCCCCNC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000843261628 655390153 /nfs/dbraw/zinc/39/01/53/655390153.db2.gz MGJOZKOFGKMDLG-UHFFFAOYSA-N 1 0 388.281 1.882 20 0 GDADRO CSc1ccc(OC[C@@H](O)C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1 ZINC000819349298 655390384 /nfs/dbraw/zinc/39/03/84/655390384.db2.gz KOGOTAYHHADOFA-AWEZNQCLSA-N 1 0 389.539 1.332 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)C1 ZINC000843288541 655390820 /nfs/dbraw/zinc/39/08/20/655390820.db2.gz OJBONHIQMRMLGZ-OLZOCXBDSA-N 1 0 388.921 1.250 20 0 GDADRO C[NH2+]CC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC1 ZINC000843339549 655392938 /nfs/dbraw/zinc/39/29/38/655392938.db2.gz STSDBFJRWMPGCJ-UHFFFAOYSA-N 1 0 389.905 1.594 20 0 GDADRO CNS(=O)(=O)c1ccc(NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)cc1 ZINC000843365490 655393704 /nfs/dbraw/zinc/39/37/04/655393704.db2.gz MMHMUNFCRLJVHO-CQSZACIVSA-N 1 0 382.873 1.980 20 0 GDADRO CC[C@@H]1CN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC[C@H]1[NH3+] ZINC000843376577 655393887 /nfs/dbraw/zinc/39/38/87/655393887.db2.gz BOSDTGCNZAFVCL-VXGBXAGGSA-N 1 0 375.441 1.681 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]CCCN2CCCS2(=O)=O)CN(C(=O)OC(C)(C)C)C1 ZINC000843399541 655394363 /nfs/dbraw/zinc/39/43/63/655394363.db2.gz KSYYVLBXABOCQE-LSDHHAIUSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843399617 655394396 /nfs/dbraw/zinc/39/43/96/655394396.db2.gz IUICDFPMFQAGSH-KGLIPLIRSA-N 1 0 376.519 1.161 20 0 GDADRO C[C@@H](CC(=O)NC[C@@]1(C)CCC[NH2+]C1)NS(=O)(=O)c1cccnc1Cl ZINC000843454771 655395267 /nfs/dbraw/zinc/39/52/67/655395267.db2.gz WGHQORVJDPCECE-LRDDRELGSA-N 1 0 388.921 1.298 20 0 GDADRO CC[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC[C@@H]1[NH3+] ZINC000843471663 655395974 /nfs/dbraw/zinc/39/59/74/655395974.db2.gz YCDANYVFCRFKAM-YUMQZZPRSA-N 1 0 396.332 1.357 20 0 GDADRO CN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000843496295 655396867 /nfs/dbraw/zinc/39/68/67/655396867.db2.gz XFAVTHYNBQUCNH-AWEZNQCLSA-N 1 0 392.257 1.117 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000843492543 655396951 /nfs/dbraw/zinc/39/69/51/655396951.db2.gz NNKTUFBGQPPDDS-WFASDCNBSA-N 1 0 386.279 1.984 20 0 GDADRO [NH3+]CCCCCCNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000843509363 655397329 /nfs/dbraw/zinc/39/73/29/655397329.db2.gz KIUQVVUVYWUHER-UHFFFAOYSA-N 1 0 384.274 1.810 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)/C=C\c2ccc(Cl)s2)CC1=O ZINC000819886527 655397755 /nfs/dbraw/zinc/39/77/55/655397755.db2.gz GMIPHULXACBXBE-RYWCDNDXSA-N 1 0 385.917 1.710 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000843779975 655400533 /nfs/dbraw/zinc/40/05/33/655400533.db2.gz VANQDORRTICHRP-CHWSQXEVSA-N 1 0 393.285 1.929 20 0 GDADRO CCCN(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)[C@H]1CC[N@H+](C)C1 ZINC000843989311 655404227 /nfs/dbraw/zinc/40/42/27/655404227.db2.gz NFTOCPZJXWIIMN-JTQLQIEISA-N 1 0 377.869 1.683 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)c1ccc2ncc(I)n2c1 ZINC000844200112 655408545 /nfs/dbraw/zinc/40/85/45/655408545.db2.gz JPZXJQWAQRAIBW-UHFFFAOYSA-N 1 0 384.221 1.811 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000844226802 655408750 /nfs/dbraw/zinc/40/87/50/655408750.db2.gz PLUQLHBRHOQDAZ-XGICHPGQSA-N 1 0 388.331 1.587 20 0 GDADRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000844321046 655409441 /nfs/dbraw/zinc/40/94/41/655409441.db2.gz BRHRPKCHMLWJSU-LLVKDONJSA-N 1 0 389.905 1.944 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc2c(Br)cnn2c1 ZINC000821053395 655421680 /nfs/dbraw/zinc/42/16/80/655421680.db2.gz YIYHGBRXSDRYPO-CYBMUJFWSA-N 1 0 381.274 1.673 20 0 GDADRO CCC[C@@H]1CN(C(=O)c2cc(N)nc(Br)c2)CC[N@@H+]1CCOC ZINC000821453137 655430254 /nfs/dbraw/zinc/43/02/54/655430254.db2.gz KULMOPPGFBCNPU-CYBMUJFWSA-N 1 0 385.306 1.999 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2snc(Cl)c2Cl)cn1 ZINC000845622028 655433720 /nfs/dbraw/zinc/43/37/20/655433720.db2.gz ICOSHVJXXWZTGM-UHFFFAOYSA-N 1 0 391.284 1.577 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nn1cc(Br)cn1 ZINC000845859578 655436966 /nfs/dbraw/zinc/43/69/66/655436966.db2.gz MIFWHRBGLASPPD-LLVKDONJSA-N 1 0 390.282 1.561 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000822475989 655446002 /nfs/dbraw/zinc/44/60/02/655446002.db2.gz FRKKTFRJLJHIHI-ZIAGYGMSSA-N 1 0 378.539 1.196 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000846231869 655450234 /nfs/dbraw/zinc/45/02/34/655450234.db2.gz OHRABJMSIZIMBQ-GXTWGEPZSA-N 1 0 389.543 1.785 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846234741 655450358 /nfs/dbraw/zinc/45/03/58/655450358.db2.gz KBYDLIGHKNEQEQ-JHJVBQTASA-N 1 0 376.910 1.431 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000846318404 655452172 /nfs/dbraw/zinc/45/21/72/655452172.db2.gz GEYFWQZPDAGMNJ-UHFFFAOYSA-N 1 0 399.289 1.318 20 0 GDADRO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000846338460 655452419 /nfs/dbraw/zinc/45/24/19/655452419.db2.gz SRFODUWFXOBZES-OWCLPIDISA-N 1 0 379.551 1.518 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3csc(Br)n3)CC2)C1=O ZINC000822919016 655453631 /nfs/dbraw/zinc/45/36/31/655453631.db2.gz RAJYFMZAKGIJGP-LLVKDONJSA-N 1 0 387.303 1.331 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2sccc2C(F)F)CC1=O ZINC000822973980 655454510 /nfs/dbraw/zinc/45/45/10/655454510.db2.gz UNUAGEPBBNYKQV-NSHDSACASA-N 1 0 375.441 1.595 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1nc(Br)c2ccccn21 ZINC000822992542 655454845 /nfs/dbraw/zinc/45/48/45/655454845.db2.gz AYLAREVRPMQTLH-LBPRGKRZSA-N 1 0 381.274 1.673 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000823021373 655455360 /nfs/dbraw/zinc/45/53/60/655455360.db2.gz VCGNRIMIJAVOKF-CABCVRRESA-N 1 0 376.519 1.113 20 0 GDADRO Cc1cn2c(nc(C)c2-c2noc(C3(S(C)(=O)=O)CC[NH2+]CC3)n2)s1 ZINC000823239432 655458934 /nfs/dbraw/zinc/45/89/34/655458934.db2.gz JRJCNHVUJWPQJF-UHFFFAOYSA-N 1 0 381.483 1.686 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000846744064 655460309 /nfs/dbraw/zinc/46/03/09/655460309.db2.gz WBPPLCCFORGQEF-RQJHMYQMSA-N 1 0 382.305 1.110 20 0 GDADRO COCCN1[C@H](C)CN(C(=O)C2(n3cc(Br)cn3)CC2)C[C@@H]1C ZINC000823531577 655464367 /nfs/dbraw/zinc/46/43/67/655464367.db2.gz BEXATOBUGBFRJR-BETUJISGSA-N 1 0 385.306 1.702 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cnn2cccc(Br)c12 ZINC000823560899 655464930 /nfs/dbraw/zinc/46/49/30/655464930.db2.gz DQJXPMMWRWOLIA-NSHDSACASA-N 1 0 394.273 1.289 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823742493 655467469 /nfs/dbraw/zinc/46/74/69/655467469.db2.gz OYWYTWVOTKCGJV-CABCVRRESA-N 1 0 377.551 1.941 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2nc(F)ccc2Br)CC1 ZINC000847424746 655469218 /nfs/dbraw/zinc/46/92/18/655469218.db2.gz PNTDKDMBZBOOFK-GFCCVEGCSA-N 1 0 399.264 1.538 20 0 GDADRO C[N@@H+]1CC[C@@H](CCOC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000847828451 655477332 /nfs/dbraw/zinc/47/73/32/655477332.db2.gz QTFVXCWYIZGHCG-ZDUSSCGKSA-N 1 0 388.511 1.268 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000824678717 655479062 /nfs/dbraw/zinc/47/90/62/655479062.db2.gz VAGJHXZQKXYDFE-SLTAFYQDSA-N 1 0 377.551 1.987 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2nc(Cl)sc2Cl)(N2CCOCC2)CC1 ZINC000848223088 655484906 /nfs/dbraw/zinc/48/49/06/655484906.db2.gz ZVKRFAFOCAYESE-UHFFFAOYSA-N 1 0 393.340 1.976 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1CC[NH2+]CC1(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000825175858 655485098 /nfs/dbraw/zinc/48/50/98/655485098.db2.gz MWNVOSKXNONXTE-WCQYABFASA-N 1 0 388.921 1.296 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)ccc1Cl ZINC000825201729 655485669 /nfs/dbraw/zinc/48/56/69/655485669.db2.gz NDOSPKLWAMZEMQ-LLVKDONJSA-N 1 0 387.811 1.600 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)ccc1Cl ZINC000825215620 655486019 /nfs/dbraw/zinc/48/60/19/655486019.db2.gz TXZAZMMKHJQNPB-GXTWGEPZSA-N 1 0 387.889 1.346 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848352028 655488282 /nfs/dbraw/zinc/48/82/82/655488282.db2.gz KCUZAIZSPLJIOZ-KGLIPLIRSA-N 1 0 389.880 1.873 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1F ZINC000848438164 655489958 /nfs/dbraw/zinc/48/99/58/655489958.db2.gz HOOXYBVDNMKCMZ-LLVKDONJSA-N 1 0 385.383 1.522 20 0 GDADRO CN(CC[N@H+](C)CCO)C(=O)[C@@](C)(O)c1ccc(F)c(Br)c1 ZINC000825528270 655490557 /nfs/dbraw/zinc/49/05/57/655490557.db2.gz YKMUJDRITCSSCM-HNNXBMFYSA-N 1 0 377.254 1.178 20 0 GDADRO COCC1(C[NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CC1 ZINC000848560404 655496719 /nfs/dbraw/zinc/49/67/19/655496719.db2.gz DHGGAPHLVNROTP-CYBMUJFWSA-N 1 0 390.527 1.489 20 0 GDADRO COC(=O)c1ccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c(Br)c1 ZINC000848597876 655497266 /nfs/dbraw/zinc/49/72/66/655497266.db2.gz DWQWUWDJCSGLRK-JTQLQIEISA-N 1 0 398.179 1.925 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000826797351 655501187 /nfs/dbraw/zinc/50/11/87/655501187.db2.gz RMFPQPFECDENTH-GXSJLCMTSA-N 1 0 384.112 1.719 20 0 GDADRO C[NH+](C)CCCN(C(=O)C[C@]1(C)CC1(Cl)Cl)[C@H]1CCS(=O)(=O)C1 ZINC000826932717 655503203 /nfs/dbraw/zinc/50/32/03/655503203.db2.gz DUVFOGOMENGGRF-GXTWGEPZSA-N 1 0 385.357 1.928 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000827367273 655509750 /nfs/dbraw/zinc/50/97/50/655509750.db2.gz TXGQYFQQZWNRKG-LRDDRELGSA-N 1 0 385.917 1.757 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000827373775 655510086 /nfs/dbraw/zinc/51/00/86/655510086.db2.gz KEIGXSCKNNCXTK-HIFRSBDPSA-N 1 0 380.286 1.732 20 0 GDADRO [NH2+]=C(NC[C@H](O)CS(=O)(=O)c1cccs1)Nc1cc(F)ccc1F ZINC000849081116 655517197 /nfs/dbraw/zinc/51/71/97/655517197.db2.gz IGIMEWGAACXHCX-JTQLQIEISA-N 1 0 375.422 1.797 20 0 GDADRO [NH2+]=C(NCCCN1CCOCC1)NCCc1ccc(Br)cc1F ZINC000849100796 655517287 /nfs/dbraw/zinc/51/72/87/655517287.db2.gz DGUKRWJJQLWQBX-UHFFFAOYSA-N 1 0 387.297 1.967 20 0 GDADRO C[C@@H]1CN(C(=[NH2+])NC[C@H](CO)Cc2cc(Br)ccc2F)CCO1 ZINC000849115447 655517497 /nfs/dbraw/zinc/51/74/97/655517497.db2.gz UOLRJXCKGFSSGJ-VXGBXAGGSA-N 1 0 388.281 1.984 20 0 GDADRO COC[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1cccc(Br)c1 ZINC000828112460 655519328 /nfs/dbraw/zinc/51/93/28/655519328.db2.gz LPGWSYZCJOEBCC-HZPDHXFCSA-N 1 0 382.302 1.643 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2nn(C)cc2Br)cn1 ZINC000849598866 655542688 /nfs/dbraw/zinc/54/26/88/655542688.db2.gz HUHVQCJNGNWWRT-QWHCGFSZSA-N 1 0 395.305 1.268 20 0 GDADRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000850490642 655556369 /nfs/dbraw/zinc/55/63/69/655556369.db2.gz FAINLEUBRKZSAM-RULNZOCKSA-N 1 0 386.461 1.899 20 0 GDADRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850482836 655556455 /nfs/dbraw/zinc/55/64/55/655556455.db2.gz SCPHOEYVSLYQBV-JSGCOSHPSA-N 1 0 390.527 1.630 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)CCC2 ZINC000850495454 655556565 /nfs/dbraw/zinc/55/65/65/655556565.db2.gz DKOITXBBQVTKGX-ZAMGYDSWSA-N 1 0 384.445 1.612 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CC(C)(C)[NH3+])c(F)cc1Br ZINC000850589147 655559371 /nfs/dbraw/zinc/55/93/71/655559371.db2.gz NLZZSVKVUJPBMC-UHFFFAOYSA-N 1 0 397.266 1.733 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000850592491 655559635 /nfs/dbraw/zinc/55/96/35/655559635.db2.gz SBTRRRHXKJLRIP-PWSUYJOCSA-N 1 0 379.404 1.935 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1Br ZINC000850593694 655559860 /nfs/dbraw/zinc/55/98/60/655559860.db2.gz XLGHYVBVNGPOFL-VXGBXAGGSA-N 1 0 395.250 1.296 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000850596508 655560273 /nfs/dbraw/zinc/56/02/73/655560273.db2.gz RCUSMKOYOHQYHC-UHFFFAOYSA-N 1 0 381.424 1.100 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCCC1SCCS1 ZINC000850647917 655562699 /nfs/dbraw/zinc/56/26/99/655562699.db2.gz IAOROMDJVOSLEK-UHFFFAOYSA-N 1 0 387.596 1.951 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCCC2SCCS2)CC1 ZINC000850657900 655562912 /nfs/dbraw/zinc/56/29/12/655562912.db2.gz FGXQOGLZKLMJFX-UHFFFAOYSA-N 1 0 389.587 1.258 20 0 GDADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCC3SCCS3)cccc21 ZINC000850696942 655565236 /nfs/dbraw/zinc/56/52/36/655565236.db2.gz QCESHDLSESEJFM-ZDUSSCGKSA-N 1 0 381.523 1.933 20 0 GDADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1CCn2ncc(Br)c2C1 ZINC000850753301 655567601 /nfs/dbraw/zinc/56/76/01/655567601.db2.gz BMIPZAIFQMKGEI-UHFFFAOYSA-N 1 0 377.246 1.734 20 0 GDADRO O=C(NCC(F)(F)Br)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850819150 655568769 /nfs/dbraw/zinc/56/87/69/655568769.db2.gz KYQZPNVHVKFJET-LLVKDONJSA-N 1 0 392.200 1.390 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000850820621 655568777 /nfs/dbraw/zinc/56/87/77/655568777.db2.gz AQZPJCAOAOTQGT-MRVPVSSYSA-N 1 0 376.201 1.863 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000850820622 655568799 /nfs/dbraw/zinc/56/87/99/655568799.db2.gz AQZPJCAOAOTQGT-QMMMGPOBSA-N 1 0 376.201 1.863 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)n1 ZINC000850849503 655570078 /nfs/dbraw/zinc/57/00/78/655570078.db2.gz CDKASTYQNXZZGH-UHFFFAOYSA-N 1 0 380.861 1.085 20 0 GDADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000850853490 655570222 /nfs/dbraw/zinc/57/02/22/655570222.db2.gz DNPKWPNPLUDLQA-UHFFFAOYSA-N 1 0 387.665 1.613 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)[C@H](C[NH3+])C1 ZINC000851687361 655590511 /nfs/dbraw/zinc/59/05/11/655590511.db2.gz SAGLUIYYCNFPMI-OCCSQVGLSA-N 1 0 384.933 1.670 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000851719025 655592657 /nfs/dbraw/zinc/59/26/57/655592657.db2.gz FBNYSUWFHLCVAB-HUUCEWRRSA-N 1 0 378.406 1.142 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000851836643 655598676 /nfs/dbraw/zinc/59/86/76/655598676.db2.gz WCOBEWPBGCWGHY-DOMZBBRYSA-N 1 0 394.430 1.911 20 0 GDADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000851856836 655600065 /nfs/dbraw/zinc/60/00/65/655600065.db2.gz DSSSROHICASGQP-UHFFFAOYSA-N 1 0 377.894 1.920 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000851879796 655601965 /nfs/dbraw/zinc/60/19/65/655601965.db2.gz NBUAAYQXFJRUPN-ZDUSSCGKSA-N 1 0 390.937 1.646 20 0 GDADRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1cccc(NS(C)(=O)=O)c1 ZINC000851921621 655603924 /nfs/dbraw/zinc/60/39/24/655603924.db2.gz XGKSUNONABTBEG-JTQLQIEISA-N 1 0 388.291 1.763 20 0 GDADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCC1SCCS1 ZINC000851970938 655604761 /nfs/dbraw/zinc/60/47/61/655604761.db2.gz LJUQRUBFFDCDGA-UHFFFAOYSA-N 1 0 380.583 1.910 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000852039756 655606415 /nfs/dbraw/zinc/60/64/15/655606415.db2.gz GAFIVMDCVFDBKC-JQWIXIFHSA-N 1 0 377.296 1.998 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000852079535 655607239 /nfs/dbraw/zinc/60/72/39/655607239.db2.gz CLGAKFVSUDOKKC-CYBMUJFWSA-N 1 0 387.468 1.917 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000852084637 655607485 /nfs/dbraw/zinc/60/74/85/655607485.db2.gz AQRICYLOMMSQRM-CQSZACIVSA-N 1 0 380.403 1.350 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)C(C)(C)C ZINC000852115484 655607898 /nfs/dbraw/zinc/60/78/98/655607898.db2.gz HGWFBLPIPXCISY-LLVKDONJSA-N 1 0 375.457 1.629 20 0 GDADRO C[N@H+](C[C@@H](O)c1cccc(Br)c1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852171350 655609317 /nfs/dbraw/zinc/60/93/17/655609317.db2.gz DLNQASKCPTYWBT-AEFFLSMTSA-N 1 0 393.281 1.787 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000852198240 655610051 /nfs/dbraw/zinc/61/00/51/655610051.db2.gz YLOSYTFLBDPDEB-LBPRGKRZSA-N 1 0 386.440 1.084 20 0 GDADRO COC(=O)N(C)CC[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000852574026 655617964 /nfs/dbraw/zinc/61/79/64/655617964.db2.gz XYVRGTDMWJBKOF-CYBMUJFWSA-N 1 0 375.263 1.819 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000852790338 655622610 /nfs/dbraw/zinc/62/26/10/655622610.db2.gz PJTMVRGGUDJVHO-UHFFFAOYSA-N 1 0 379.404 1.005 20 0 GDADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852837956 655623991 /nfs/dbraw/zinc/62/39/91/655623991.db2.gz AYSODXKCCVLBLP-QMMMGPOBSA-N 1 0 376.385 1.157 20 0 GDADRO [NH3+]CCCCC(=O)N1CCC(n2nncc2I)CC1 ZINC000852861155 655624399 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NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc3c(c2)S(=O)(=O)N=C3Cl)C1 ZINC000853252946 655637412 /nfs/dbraw/zinc/63/74/12/655637412.db2.gz WDRBSAVFVKMOCJ-NSHDSACASA-N 1 0 384.889 1.374 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc4c(c3)S(=O)(=O)N=C4Cl)CC2)C1 ZINC000853341236 655638775 /nfs/dbraw/zinc/63/87/75/655638775.db2.gz PQRSNCSKQJZMEN-CQSZACIVSA-N 1 0 382.917 1.591 20 0 GDADRO OC1(C[NH+]2CCOCC2)CCN(c2ncnc(F)c2Br)CC1 ZINC000853471635 655640350 /nfs/dbraw/zinc/64/03/50/655640350.db2.gz CERKCSVRWGKXOS-UHFFFAOYSA-N 1 0 375.242 1.042 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853966610 655654623 /nfs/dbraw/zinc/65/46/23/655654623.db2.gz WPTPOXYROHVTEY-LLVKDONJSA-N 1 0 381.278 1.161 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cnn(C(C)(C)C)c2Br)CC1 ZINC000854295795 655660348 /nfs/dbraw/zinc/66/03/48/655660348.db2.gz CHOWXEYBSSRMPB-UHFFFAOYSA-N 1 0 386.338 1.720 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCC[S@](=O)CC(F)(F)F ZINC000854307501 655661649 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CCN(C(=O)c1ccc(-n2cc(Br)cn2)nn1)[C@H]1CC[N@H+](C)C1 ZINC000855360976 655692587 /nfs/dbraw/zinc/69/25/87/655692587.db2.gz PWAPCNHFOWNLOE-LBPRGKRZSA-N 1 0 379.262 1.591 20 0 GDADRO COc1ccc(C(=O)NCC[C@H](C)[NH+](C)C)nc1I ZINC000855414823 655693767 /nfs/dbraw/zinc/69/37/67/655693767.db2.gz BVOZUMPYDZWYCP-VIFPVBQESA-N 1 0 377.226 1.765 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(Br)nc2n1CCC2 ZINC000856098576 655707867 /nfs/dbraw/zinc/70/78/67/655707867.db2.gz OZWJXPUAWMRNFO-LBPRGKRZSA-N 1 0 383.290 1.575 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c(Br)nc3n2CCC3)CCO1 ZINC000856431959 655713132 /nfs/dbraw/zinc/71/31/32/655713132.db2.gz VKRPMLIOVBHHAV-GFCCVEGCSA-N 1 0 385.306 1.775 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000856724219 655715268 /nfs/dbraw/zinc/71/52/68/655715268.db2.gz XZXAUJSMYYGYEW-LSDHHAIUSA-N 1 0 375.535 1.647 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000856729206 655715431 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379.404 1.935 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C2 ZINC000858617539 655750572 /nfs/dbraw/zinc/75/05/72/655750572.db2.gz ZCJRSXRGVIIUPT-HZMBPMFUSA-N 1 0 377.388 1.689 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1Br ZINC000858631591 655751446 /nfs/dbraw/zinc/75/14/46/655751446.db2.gz GXJBJBSTJIDKDI-ZJUUUORDSA-N 1 0 391.287 1.655 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000858642284 655751927 /nfs/dbraw/zinc/75/19/27/655751927.db2.gz GCNHBKXDQVIWKV-IONNQARKSA-N 1 0 393.694 1.779 20 0 GDADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(Br)nc1F ZINC000859106713 655763703 /nfs/dbraw/zinc/76/37/03/655763703.db2.gz NSISFBPPZXQYNG-UHFFFAOYSA-N 1 0 398.298 1.620 20 0 GDADRO [NH3+]C1(CNC(=O)Nc2cc3c(cc2Br)OCCO3)CCOCC1 ZINC000859620392 655788085 /nfs/dbraw/zinc/78/80/85/655788085.db2.gz CGCSPYLLBVTPEO-UHFFFAOYSA-N 1 0 386.246 1.850 20 0 GDADRO O=C(Nc1ccnc(Br)c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000859691870 655788849 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CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc(Br)c(C)n(C)c2=O)C1 ZINC000861352259 655820241 /nfs/dbraw/zinc/82/02/41/655820241.db2.gz MNWPJYXRYUGOCA-ZBEGNZNMSA-N 1 0 387.274 1.722 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC[NH+]1CCC1 ZINC000861387313 655820749 /nfs/dbraw/zinc/82/07/49/655820749.db2.gz CDZODDUWOGUIKQ-MRXNPFEDSA-N 1 0 386.539 1.644 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc1I ZINC000861539902 655825304 /nfs/dbraw/zinc/82/53/04/655825304.db2.gz QXXYNMRAJVPIPR-VIFPVBQESA-N 1 0 375.210 1.344 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)CC1(Br)Br ZINC000861714381 655828923 /nfs/dbraw/zinc/82/89/23/655828923.db2.gz ACLDBQPLQSDZSM-JFGNBEQYSA-N 1 0 396.123 1.550 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(Br)cnc3F)CC2)C1=O ZINC000861697452 655828580 /nfs/dbraw/zinc/82/85/80/655828580.db2.gz CJLVLJDLBOEHIX-CYBMUJFWSA-N 1 0 399.264 1.408 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000861763333 655830190 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GDADRO COC[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1cccc(Br)c1 ZINC000865824067 655927940 /nfs/dbraw/zinc/92/79/40/655927940.db2.gz JRGHIORUSFTRHG-CQSZACIVSA-N 1 0 382.258 1.324 20 0 GDADRO CCOC(=O)N1CCC([NH2+]Cc2c(I)cnn2C)CC1 ZINC000865869185 655929004 /nfs/dbraw/zinc/92/90/04/655929004.db2.gz ZSWONNLWORPKDS-UHFFFAOYSA-N 1 0 392.241 1.735 20 0 GDADRO CC[NH+]1CCC(N(C)S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000866452694 655944037 /nfs/dbraw/zinc/94/40/37/655944037.db2.gz MPMLGDYALOVPLV-UHFFFAOYSA-N 1 0 375.535 1.599 20 0 GDADRO Cn1cc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c(Br)n1 ZINC000866479055 655945971 /nfs/dbraw/zinc/94/59/71/655945971.db2.gz PFXIQJFEPZBSDF-UHFFFAOYSA-N 1 0 379.324 1.725 20 0 GDADRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)C1 ZINC000866487034 655946497 /nfs/dbraw/zinc/94/64/97/655946497.db2.gz TYJVZGQCQPKVOI-WHOFXGATSA-N 1 0 392.568 1.957 20 0 GDADRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1sccc1Br ZINC000866554591 655949375 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20 0 GDADRO Cn1ncc(S(=O)(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c1C(F)(F)F ZINC000866789023 655963755 /nfs/dbraw/zinc/96/37/55/655963755.db2.gz ZSFJUVSBJQYNIO-GFCCVEGCSA-N 1 0 376.404 1.677 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000866792896 655964318 /nfs/dbraw/zinc/96/43/18/655964318.db2.gz LKSBHCBJBUHMIG-VXNVDRBHSA-N 1 0 393.694 1.860 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[C@H]([NH3+])C2)c(Br)c1 ZINC000866808027 655965958 /nfs/dbraw/zinc/96/59/58/655965958.db2.gz XEKITRFAWLHSKC-CZMCAQCFSA-N 1 0 377.260 1.251 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)c(Br)n1 ZINC000866813928 655966404 /nfs/dbraw/zinc/96/64/04/655966404.db2.gz GPWASDBPSOPMNH-CYBMUJFWSA-N 1 0 379.324 1.568 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000866817392 655966722 /nfs/dbraw/zinc/96/67/22/655966722.db2.gz UMNGEJUHMIIJCL-ZNMIVQPWSA-N 1 0 385.873 1.037 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1Cl ZINC000866818015 655966814 /nfs/dbraw/zinc/96/68/14/655966814.db2.gz ZAQKFPSWFCWFHT-XQQFMLRXSA-N 1 0 385.873 1.204 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866824289 655967335 /nfs/dbraw/zinc/96/73/35/655967335.db2.gz LDQUQAIHQKFIGK-TZMCWYRMSA-N 1 0 387.889 1.822 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866825355 655967494 /nfs/dbraw/zinc/96/74/94/655967494.db2.gz PWKGVQCNJGGMEW-ZIAGYGMSSA-N 1 0 375.288 1.973 20 0 GDADRO COCCC1(NS(=O)(=O)c2cccc(Cl)c2C(=O)OC)CC[NH2+]CC1 ZINC000866825615 655967496 /nfs/dbraw/zinc/96/74/96/655967496.db2.gz NSRMKQVIVAHWLN-UHFFFAOYSA-N 1 0 390.889 1.564 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(Br)o1 ZINC000866827942 655967706 /nfs/dbraw/zinc/96/77/06/655967706.db2.gz TZYSIUYRLIYPMJ-RKDXNWHRSA-N 1 0 393.259 1.344 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cn(C)nc2Br)C[C@H]1C ZINC000866855308 655970650 /nfs/dbraw/zinc/97/06/50/655970650.db2.gz 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C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cnn(C)c1Br ZINC000867270548 656027740 /nfs/dbraw/zinc/02/77/40/656027740.db2.gz RHACWVXHPPZYLN-GHMZBOCLSA-N 1 0 377.308 1.430 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000867298206 656033163 /nfs/dbraw/zinc/03/31/63/656033163.db2.gz CDFFCXGNNWFVII-CABCVRRESA-N 1 0 375.535 1.599 20 0 GDADRO CN(C[C@@H](O)c1cccc(Br)c1)S(=O)(=O)CCC[NH+](C)C ZINC000867403516 656054180 /nfs/dbraw/zinc/05/41/80/656054180.db2.gz ZKBJOFYQYVTDLQ-CQSZACIVSA-N 1 0 379.320 1.696 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Br)cn2)C[C@@H]1C ZINC000867514078 656074163 /nfs/dbraw/zinc/07/41/63/656074163.db2.gz JZJNHARCSUDMRT-WFASDCNBSA-N 1 0 397.317 1.792 20 0 GDADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000867520246 656075613 /nfs/dbraw/zinc/07/56/13/656075613.db2.gz YDTFMJBPYLZHOC-UHFFFAOYSA-N 1 0 395.301 1.547 20 0 GDADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(F)nc1F ZINC000867537283 656080361 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GDADRO O=C(Nc1cccnc1Br)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868133510 656141660 /nfs/dbraw/zinc/14/16/60/656141660.db2.gz AOTBDVVWWQVWSV-WCQGTBRESA-N 1 0 396.245 1.243 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(Br)cc1OC ZINC000868250209 656146424 /nfs/dbraw/zinc/14/64/24/656146424.db2.gz IBKCOKOCDNFDQF-QWRGUYRKSA-N 1 0 388.237 1.555 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000868303940 656149962 /nfs/dbraw/zinc/14/99/62/656149962.db2.gz ULXJISGAAMMNQN-WVSHTKLVSA-N 1 0 377.242 1.789 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C1 ZINC000868305839 656150186 /nfs/dbraw/zinc/15/01/86/656150186.db2.gz IDOLNDIZCHVWNL-UMSPYCQHSA-N 1 0 378.270 1.681 20 0 GDADRO CCC1([NH+]2CCCC2)CCN(C(=O)NCCOCCS(C)(=O)=O)CC1 ZINC000868309061 656150401 /nfs/dbraw/zinc/15/04/01/656150401.db2.gz RXYWIOYCTXVPPO-UHFFFAOYSA-N 1 0 375.535 1.098 20 0 GDADRO CCOC(=O)CS[C@@H](CNC(=O)NC1CC[NH+](CC)CC1)C(F)(F)F ZINC000868352063 656151607 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CC(C)n1ncc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1I ZINC000870914663 656254983 /nfs/dbraw/zinc/25/49/83/656254983.db2.gz PUDCRSXXRYPVCH-CMPLNLGQSA-N 1 0 388.253 1.893 20 0 GDADRO CCOC(=O)c1cnc(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)n1C ZINC000870925341 656255957 /nfs/dbraw/zinc/25/59/57/656255957.db2.gz KCZQRVYFQAHSKL-GFCCVEGCSA-N 1 0 381.230 1.998 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCOc2ccc(I)cc2)C1 ZINC000870928999 656256315 /nfs/dbraw/zinc/25/63/15/656256315.db2.gz VLJLZHLMWSEYRE-JVLSTEMRSA-N 1 0 386.233 1.914 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1Br ZINC000870933333 656256554 /nfs/dbraw/zinc/25/65/54/656256554.db2.gz UWWJKSSWBCUXPT-UHFFFAOYSA-N 1 0 396.207 1.983 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1I ZINC000870940222 656256957 /nfs/dbraw/zinc/25/69/57/656256957.db2.gz IPZJDSACJDKDNB-ONGXEEELSA-N 1 0 376.242 1.796 20 0 GDADRO O=C(c1ncsc1C(F)(F)F)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996788 656259651 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386.367 1.601 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000871814966 656283064 /nfs/dbraw/zinc/28/30/64/656283064.db2.gz XUOURQZRNKGSEU-VXNVDRBHSA-N 1 0 380.314 1.203 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC000871817725 656283613 /nfs/dbraw/zinc/28/36/13/656283613.db2.gz HOAHVFPXKFBYFW-INIZCTEOSA-N 1 0 386.539 1.681 20 0 GDADRO Cn1cc(S(=O)(=O)N[C@H]2CCCCC23CC[NH2+]CC3)c(Br)n1 ZINC000871817298 656283627 /nfs/dbraw/zinc/28/36/27/656283627.db2.gz AVQXRCHBKNOLBG-LBPRGKRZSA-N 1 0 391.335 1.773 20 0 GDADRO FC(F)(F)C(F)(F)OCC[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000872110761 656318381 /nfs/dbraw/zinc/31/83/81/656318381.db2.gz PHOCPBMFKCJRDT-UHFFFAOYSA-N 1 0 375.382 1.544 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]C[C@H](O)COc3cc(Cl)ccc3Cl)COCCN12 ZINC000872229633 656320478 /nfs/dbraw/zinc/32/04/78/656320478.db2.gz RURWNOKTEXPBFT-BLLLJJGKSA-N 1 0 391.251 1.544 20 0 GDADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000872228591 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GDADRO C[NH+](C)C1(CNC(=O)N2CCn3ncc(I)c3C2)CC1 ZINC000922982017 656520764 /nfs/dbraw/zinc/52/07/64/656520764.db2.gz ZPQWOMASQGSTBL-UHFFFAOYSA-N 1 0 389.241 1.107 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1ccc(Br)cn1)C(C)(C)C[NH+](C)C ZINC000875273394 656526274 /nfs/dbraw/zinc/52/62/74/656526274.db2.gz OGXIKHMGFWWUDP-LLVKDONJSA-N 1 0 385.306 1.553 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)s1 ZINC000875402673 656537060 /nfs/dbraw/zinc/53/70/60/656537060.db2.gz HYPHFWWJKRYUMW-KGLIPLIRSA-N 1 0 386.543 1.070 20 0 GDADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCc2ccc(Br)cn2)C1 ZINC000875407073 656538309 /nfs/dbraw/zinc/53/83/09/656538309.db2.gz DORUWZQKNRWPGW-GFCCVEGCSA-N 1 0 383.290 1.308 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000875444653 656540837 /nfs/dbraw/zinc/54/08/37/656540837.db2.gz KOWGIKCPAMRAPZ-GJZGRUSLSA-N 1 0 395.301 1.593 20 0 GDADRO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000923299729 656543436 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O=C1O[C@H](CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)CC12CC[NH2+]CC2 ZINC000923684337 656585849 /nfs/dbraw/zinc/58/58/49/656585849.db2.gz WVRBAOYKXLVMDK-VIFPVBQESA-N 1 0 394.280 1.352 20 0 GDADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(Cl)nc1Cl)CC2 ZINC000923687441 656588414 /nfs/dbraw/zinc/58/84/14/656588414.db2.gz XTSVNVQRCMQKRJ-SNVBAGLBSA-N 1 0 380.297 1.907 20 0 GDADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc3onc(Cl)c3c1)CC2 ZINC000923687805 656588455 /nfs/dbraw/zinc/58/84/55/656588455.db2.gz MPALCHXSGNRMIZ-LLVKDONJSA-N 1 0 385.873 2.000 20 0 GDADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CCNCC[NH2+]CC3)cc2s1 ZINC000923690559 656588750 /nfs/dbraw/zinc/58/87/50/656588750.db2.gz DDICMTUXQAYABK-UHFFFAOYSA-N 1 0 382.555 1.777 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000923694832 656590643 /nfs/dbraw/zinc/59/06/43/656590643.db2.gz KCKMHXBTMJOHQR-CQSZACIVSA-N 1 0 393.303 1.240 20 0 GDADRO [NH3+][C@]1(CO)CCCN(S(=O)(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000923695214 656590686 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CC(C)C[C@H](NC(=O)NCc1ncc(Cl)s1)C(=O)NCC[NH+](C)C ZINC000876371690 656603071 /nfs/dbraw/zinc/60/30/71/656603071.db2.gz ZEVYAMSTJMPJGR-NSHDSACASA-N 1 0 375.926 1.688 20 0 GDADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cc(F)c(Cl)nc1Cl ZINC000876473604 656606732 /nfs/dbraw/zinc/60/67/32/656606732.db2.gz XLRWSTNIUKBTOH-OAHLLOKOSA-N 1 0 380.247 1.947 20 0 GDADRO CC(C)(CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000876513130 656610505 /nfs/dbraw/zinc/61/05/05/656610505.db2.gz IBDKJABOYRWKNM-CQSZACIVSA-N 1 0 377.551 1.799 20 0 GDADRO CS(=O)(=O)N1CCC(NC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000876572254 656615294 /nfs/dbraw/zinc/61/52/94/656615294.db2.gz WTAHTCIAWQLCPX-ZDUSSCGKSA-N 1 0 379.404 1.245 20 0 GDADRO C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000924027185 656619702 /nfs/dbraw/zinc/61/97/02/656619702.db2.gz AWAYEYIRMHWGJO-TZMCWYRMSA-N 1 0 381.274 1.706 20 0 GDADRO COc1cc(CNC(=O)c2c(C[NH3+])cnn2C)cc(Br)c1OC ZINC000876637810 656620450 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GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(Br)cn2ccnc12 ZINC000876847722 656635016 /nfs/dbraw/zinc/63/50/16/656635016.db2.gz KHEMDEXQHIETGQ-GFCCVEGCSA-N 1 0 381.230 1.074 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000876859381 656636160 /nfs/dbraw/zinc/63/61/60/656636160.db2.gz GXRYCJBEQRBIOU-UONOGXRCSA-N 1 0 382.302 1.849 20 0 GDADRO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCn2c(Br)cnc2C1 ZINC000876898608 656638035 /nfs/dbraw/zinc/63/80/35/656638035.db2.gz VJAGPVNJPNZKTM-CQSZACIVSA-N 1 0 392.301 1.447 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000876917108 656639790 /nfs/dbraw/zinc/63/97/90/656639790.db2.gz AFGRATCPXVKTNA-CYBMUJFWSA-N 1 0 396.232 1.811 20 0 GDADRO COC[C@@]1(C(=O)N2CCOc3cccc(Br)c3C2)C[NH2+]CCO1 ZINC000876953608 656642306 /nfs/dbraw/zinc/64/23/06/656642306.db2.gz VMZIFJHKEOQIII-MRXNPFEDSA-N 1 0 385.258 1.175 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000877008985 656645830 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CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000877170388 656658303 /nfs/dbraw/zinc/65/83/03/656658303.db2.gz NIMOMHDFJMEDSV-TXEJJXNPSA-N 1 0 385.917 1.993 20 0 GDADRO COC[C@]1(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)C[NH2+]CCO1 ZINC000877261431 656661352 /nfs/dbraw/zinc/66/13/52/656661352.db2.gz NBWZNZPVFRYVGB-HWMZRRJGSA-N 1 0 381.270 1.208 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1Cl ZINC000877286350 656663941 /nfs/dbraw/zinc/66/39/41/656663941.db2.gz CVGRUZHKROIPJR-KGLIPLIRSA-N 1 0 387.889 1.488 20 0 GDADRO O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000877297311 656665572 /nfs/dbraw/zinc/66/55/72/656665572.db2.gz QTVCGBGTPRFIJE-TXCZRRACSA-N 1 0 382.913 1.536 20 0 GDADRO CNS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000877367156 656670887 /nfs/dbraw/zinc/67/08/87/656670887.db2.gz CKZRETBVAZXULI-GWCFXTLKSA-N 1 0 379.404 1.112 20 0 GDADRO 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NS(=O)(=O)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000932957640 657239087 /nfs/dbraw/zinc/23/90/87/657239087.db2.gz GOCYPGABKYOLBW-JQWIXIFHSA-N 1 0 383.297 1.344 20 0 GDADRO O=C(CC[NH2+][C@H]1C(=O)NCC12CCOCC2)Nc1cccc(Br)c1 ZINC000933036719 657248723 /nfs/dbraw/zinc/24/87/23/657248723.db2.gz XIHWQKKTIDUHBN-HNNXBMFYSA-N 1 0 396.285 1.663 20 0 GDADRO CC1([NH+]2CCC2)CCN(c2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000882963832 657260623 /nfs/dbraw/zinc/26/06/23/657260623.db2.gz KKIOMQFABIQPFE-UHFFFAOYSA-N 1 0 389.319 1.556 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C[C@H](C)O1 ZINC000883095140 657270225 /nfs/dbraw/zinc/27/02/25/657270225.db2.gz UAJXCXCQHWTWDY-AXFHLTTASA-N 1 0 377.354 1.343 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000933381796 657275127 /nfs/dbraw/zinc/27/51/27/657275127.db2.gz DHIKVDZTEFIHRB-YPMHNXCESA-N 1 0 384.322 1.727 20 0 GDADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000933437605 657280590 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[NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000883471815 657289878 /nfs/dbraw/zinc/28/98/78/657289878.db2.gz ZVCSGDVJOUJJPA-UHFFFAOYSA-N 1 0 393.309 1.699 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)cc(F)c1F ZINC000883471998 657289891 /nfs/dbraw/zinc/28/98/91/657289891.db2.gz IKXYWKXBPCOTEV-UHFFFAOYSA-N 1 0 376.303 1.263 20 0 GDADRO CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883480815 657291459 /nfs/dbraw/zinc/29/14/59/657291459.db2.gz NKWQKBQZYGIHSQ-CQSZACIVSA-N 1 0 381.523 1.547 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593043 657300120 /nfs/dbraw/zinc/30/01/20/657300120.db2.gz ZXPPTJGDPJRLIS-SECBINFHSA-N 1 0 383.246 1.901 20 0 GDADRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000883672022 657305517 /nfs/dbraw/zinc/30/55/17/657305517.db2.gz XVRNMDSJLOLCFD-CYBMUJFWSA-N 1 0 388.921 1.402 20 0 GDADRO Cn1ncc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1I ZINC000933743427 657316739 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COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1F ZINC000903517826 659325605 /nfs/dbraw/zinc/32/56/05/659325605.db2.gz FQVJZUQQFYBBOO-ONGXEEELSA-N 1 0 393.278 1.969 20 0 GDADRO O=S(=O)(Cc1cccc(Cl)c1Br)NC[C@H]1C[NH2+]CCO1 ZINC000903521541 659327518 /nfs/dbraw/zinc/32/75/18/659327518.db2.gz ABWHLSZKAGKEGT-SNVBAGLBSA-N 1 0 383.695 1.510 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CCCO1 ZINC000903522391 659328059 /nfs/dbraw/zinc/32/80/59/659328059.db2.gz OIZJARJZLCVSCS-NSHDSACASA-N 1 0 397.722 1.982 20 0 GDADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC1 ZINC000903522331 659328290 /nfs/dbraw/zinc/32/82/90/659328290.db2.gz DNSCSCIJAWWQJL-UHFFFAOYSA-N 1 0 386.539 1.501 20 0 GDADRO Cc1cc(Br)c(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)s1 ZINC000903541813 659334348 /nfs/dbraw/zinc/33/43/48/659334348.db2.gz CSHGEGOQAFEDEQ-UHFFFAOYSA-N 1 0 383.333 1.947 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)ccc1Cl ZINC000903542501 659334644 /nfs/dbraw/zinc/33/46/44/659334644.db2.gz JMHRWQGVVVUQSP-UHFFFAOYSA-N 1 0 376.862 1.255 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC000903547068 659336586 /nfs/dbraw/zinc/33/65/86/659336586.db2.gz PJPCFQGEQDRYAZ-MRXNPFEDSA-N 1 0 386.539 1.762 20 0 GDADRO O=S(=O)(c1occc1Br)N1CC[NH2+]CCC12CCOCC2 ZINC000903549244 659337944 /nfs/dbraw/zinc/33/79/44/659337944.db2.gz HHFCIMNWFBBDHE-UHFFFAOYSA-N 1 0 379.276 1.575 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000903561164 659341043 /nfs/dbraw/zinc/34/10/43/659341043.db2.gz SSBXOHFQVRBANP-CYZMBNFOSA-N 1 0 389.271 1.407 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000903565571 659343073 /nfs/dbraw/zinc/34/30/73/659343073.db2.gz MMKVHJFZLJUKBZ-UHFFFAOYSA-N 1 0 385.383 1.426 20 0 GDADRO Cc1ccc(Br)cc1S(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000903565972 659343413 /nfs/dbraw/zinc/34/34/13/659343413.db2.gz GRJGSAGKZXOBDX-UHFFFAOYSA-N 1 0 376.320 1.459 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000903566011 659343431 /nfs/dbraw/zinc/34/34/31/659343431.db2.gz HAOIYYHBUZXTLD-UHFFFAOYSA-N 1 0 380.283 1.290 20 0 GDADRO COCc1ccc(OC)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903578462 659349505 /nfs/dbraw/zinc/34/95/05/659349505.db2.gz HYXLZORGLSPUPB-VXGBXAGGSA-N 1 0 382.404 1.742 20 0 GDADRO CCOC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903579144 659349884 /nfs/dbraw/zinc/34/98/84/659349884.db2.gz LWMAXKPRVHBYQB-OLZOCXBDSA-N 1 0 380.388 1.764 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC[C@@H]1C(F)(F)F ZINC000903580374 659351170 /nfs/dbraw/zinc/35/11/70/659351170.db2.gz UNGRZPRTRQXYKN-NWDGAFQWSA-N 1 0 375.372 1.428 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2cccc(I)c2)C[C@H]1[NH3+] ZINC000903585048 659353586 /nfs/dbraw/zinc/35/35/86/659353586.db2.gz WJOKRSZLSBKBCD-LLVKDONJSA-N 1 0 380.251 1.649 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1cccc(I)c1 ZINC000903588757 659355341 /nfs/dbraw/zinc/35/53/41/659355341.db2.gz 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C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903799169 659381036 /nfs/dbraw/zinc/38/10/36/659381036.db2.gz DFNWKGLCPQJMKC-ZIAGYGMSSA-N 1 0 381.274 1.328 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)CN(C)C1(C[NH3+])CCOCC1 ZINC000903807396 659382088 /nfs/dbraw/zinc/38/20/88/659382088.db2.gz COPFHSYAMJSNOO-UHFFFAOYSA-N 1 0 390.347 1.909 20 0 GDADRO CN(C[C@H](O)COc1cc(F)cc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000903809560 659382285 /nfs/dbraw/zinc/38/22/85/659382285.db2.gz DOOUDHDMYRJHKE-AWEZNQCLSA-N 1 0 391.281 1.768 20 0 GDADRO COc1ccc(C[NH2+]CC[C@H]2CNCCS2(=O)=O)cc1Br ZINC000903967960 659390234 /nfs/dbraw/zinc/39/02/34/659390234.db2.gz NYSUHAADNMWBDZ-LBPRGKRZSA-N 1 0 377.304 1.324 20 0 GDADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903969466 659391311 /nfs/dbraw/zinc/39/13/11/659391311.db2.gz GEZBCUWKPKSFIM-WCQYABFASA-N 1 0 393.322 1.886 20 0 GDADRO COc1nc(-c2noc([C@]34C[NH2+]C[C@H]3CCOC4)n2)ncc1Br ZINC000904684155 659405890 /nfs/dbraw/zinc/40/58/90/659405890.db2.gz UFUZEROANVUWDX-CLAHSXSESA-N 1 0 382.218 1.175 20 0 GDADRO C[N@H+](CCNC[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CCCC1 ZINC000905096812 659423189 /nfs/dbraw/zinc/42/31/89/659423189.db2.gz YFXDEIVZVBKVBS-INIZCTEOSA-N 1 0 375.579 1.452 20 0 GDADRO C[C@@](O)(C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)C(F)(F)C(F)(F)F ZINC000905103177 659424456 /nfs/dbraw/zinc/42/44/56/659424456.db2.gz JSHFOYSOBXLYGY-WDEREUQCSA-N 1 0 398.394 1.013 20 0 GDADRO CN(C)[S@@](C)(=O)=NC(=O)CONC(=[NH2+])c1ccccc1Br ZINC000905103298 659424492 /nfs/dbraw/zinc/42/44/92/659424492.db2.gz IFVJGIBNHUOKFH-NRFANRHFSA-N 1 0 377.264 1.397 20 0 GDADRO CC[C@@H](CN1CCCC1)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905121644 659425669 /nfs/dbraw/zinc/42/56/69/659425669.db2.gz DJXWAVIONDJBLN-JKSUJKDBSA-N 1 0 375.579 1.452 20 0 GDADRO CCc1cnc(CC[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000905138157 659426187 /nfs/dbraw/zinc/42/61/87/659426187.db2.gz WTWUDBMHLZQKRD-AWEZNQCLSA-N 1 0 389.587 1.839 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@H]2CSCCS2)CCC1 ZINC000905159902 659427636 /nfs/dbraw/zinc/42/76/36/659427636.db2.gz OPBBHLWWCLIZRW-QWHCGFSZSA-N 1 0 382.617 1.426 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)CC1(CO)CCCC1)c1ccc(Cl)s1 ZINC000905182604 659430662 /nfs/dbraw/zinc/43/06/62/659430662.db2.gz XXQJVNRQUXSBOB-GFCCVEGCSA-N 1 0 396.962 1.573 20 0 GDADRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC000905195650 659431878 /nfs/dbraw/zinc/43/18/78/659431878.db2.gz PDDLVVXURSUUSZ-OWCLPIDISA-N 1 0 376.563 1.781 20 0 GDADRO O=C1[C@H]([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000905200678 659432171 /nfs/dbraw/zinc/43/21/71/659432171.db2.gz HLCZGTVUCJTTDY-VMGRFDJRSA-N 1 0 389.279 1.591 20 0 GDADRO O=S(=O)(NCCC[NH2+]C[C@H](O)CC1(O)CCCC1)c1ccccc1Cl ZINC000905245552 659436598 /nfs/dbraw/zinc/43/65/98/659436598.db2.gz WNMGOEHXJLKVSA-CQSZACIVSA-N 1 0 390.933 1.654 20 0 GDADRO CCOC1(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCCC1 ZINC000905268745 659438625 /nfs/dbraw/zinc/43/86/25/659438625.db2.gz RBIQGZADZATPFA-OAHLLOKOSA-N 1 0 376.563 1.927 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)CC[C@H]1C(F)(F)F ZINC000905296734 659441743 /nfs/dbraw/zinc/44/17/43/659441743.db2.gz XTSSETJNJMFGNV-RKDXNWHRSA-N 1 0 392.179 1.844 20 0 GDADRO CCOC(=O)c1sc([C@H](C)NS(=O)(=O)CC2CC[NH2+]CC2)nc1C ZINC000905343028 659444313 /nfs/dbraw/zinc/44/43/13/659444313.db2.gz LYNIKSLLQQJCFJ-NSHDSACASA-N 1 0 375.516 1.608 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000905354228 659446139 /nfs/dbraw/zinc/44/61/39/659446139.db2.gz PHNYWCOQPKWBIP-HNNXBMFYSA-N 1 0 385.917 1.995 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905372035 659449020 /nfs/dbraw/zinc/44/90/20/659449020.db2.gz MVEBYLPRWSCUHN-LRDDRELGSA-N 1 0 388.302 1.474 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1CCN1CC ZINC000905443037 659453896 /nfs/dbraw/zinc/45/38/96/659453896.db2.gz XWCZFLKOGLLNOL-HNNXBMFYSA-N 1 0 388.555 1.328 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c1 ZINC000905479337 659457229 /nfs/dbraw/zinc/45/72/29/659457229.db2.gz WVECXZAZCMQDOG-ZDUSSCGKSA-N 1 0 376.906 1.402 20 0 GDADRO CS(=O)(=O)c1ccccc1CC[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000905558307 659464897 /nfs/dbraw/zinc/46/48/97/659464897.db2.gz ZMMWIAGTSRIEFN-UHFFFAOYSA-N 1 0 385.482 1.835 20 0 GDADRO CO[C@]1(C[NH2+]C[C@H](O)c2cccc(Br)c2)CCS(=O)(=O)C1 ZINC000905557924 659464960 /nfs/dbraw/zinc/46/49/60/659464960.db2.gz RLXDPSSMNLMTNF-KBPBESRZSA-N 1 0 378.288 1.276 20 0 GDADRO O=C1C[C@H](CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CN1 ZINC000905589573 659467246 /nfs/dbraw/zinc/46/72/46/659467246.db2.gz ZJXUHTCQQNNWLV-JQWIXIFHSA-N 1 0 391.693 1.958 20 0 GDADRO CN(C)S(=O)(=O)Cc1ccc(CNC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000905613917 659469181 /nfs/dbraw/zinc/46/91/81/659469181.db2.gz ILUALCAMVMKBBE-UHFFFAOYSA-N 1 0 384.571 1.136 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)COCc1ccccc1Cl)N1CCCC1 ZINC000905663803 659472852 /nfs/dbraw/zinc/47/28/52/659472852.db2.gz HGQVSOPFUBDXIU-OAHLLOKOSA-N 1 0 376.906 1.233 20 0 GDADRO NC(=O)[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1ccc(Br)cc1 ZINC000905856156 659488117 /nfs/dbraw/zinc/48/81/17/659488117.db2.gz BXNBKCJPDIJLHX-AWEZNQCLSA-N 1 0 383.286 1.887 20 0 GDADRO NS(=O)(=O)CCCC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000906116685 659521729 /nfs/dbraw/zinc/52/17/29/659521729.db2.gz VHZOSKGUICCXLN-CQSZACIVSA-N 1 0 391.896 1.801 20 0 GDADRO Cn1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)c(I)n1 ZINC000906327861 659531305 /nfs/dbraw/zinc/53/13/05/659531305.db2.gz VYHPCEJDRFCXBP-UHFFFAOYSA-N 1 0 388.253 1.629 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)C1 ZINC000906362913 659533748 /nfs/dbraw/zinc/53/37/48/659533748.db2.gz UPZVUBWIACZLTH-ZDUSSCGKSA-N 1 0 387.527 1.175 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cnnn1-c1ccccc1Br ZINC000906408579 659538173 /nfs/dbraw/zinc/53/81/73/659538173.db2.gz BSSJXFFTXZITQA-NSHDSACASA-N 1 0 376.258 1.996 20 0 GDADRO COCC[NH+]1CCC(NC(=O)c2nscc2I)CC1 ZINC000906417018 659538710 /nfs/dbraw/zinc/53/87/10/659538710.db2.gz TYFIURSFWAJITR-UHFFFAOYSA-N 1 0 395.266 1.588 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000906506991 659548951 /nfs/dbraw/zinc/54/89/51/659548951.db2.gz XLVRGMUIKIWUMG-GHMZBOCLSA-N 1 0 388.723 1.167 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cnnn1-c1ccccc1Br ZINC000906520950 659550670 /nfs/dbraw/zinc/55/06/70/659550670.db2.gz MTDSETLUJRYXSH-UHFFFAOYSA-N 1 0 382.262 1.338 20 0 GDADRO C[C@H](CNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)[N@H+](C)C1CC1 ZINC000906542306 659551685 /nfs/dbraw/zinc/55/16/85/659551685.db2.gz ZZVGURVFQMQKHX-GFCCVEGCSA-N 1 0 387.527 1.315 20 0 GDADRO CC[N@H+](CCNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C1CC1 ZINC000906551639 659553861 /nfs/dbraw/zinc/55/38/61/659553861.db2.gz BZMNXTCUOSQSPD-UHFFFAOYSA-N 1 0 387.527 1.317 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000906618685 659561356 /nfs/dbraw/zinc/56/13/56/659561356.db2.gz KUBQESIXOMYPPE-GFCCVEGCSA-N 1 0 394.273 1.480 20 0 GDADRO CN1CC[NH+](CC2CCN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)CC2)CC1 ZINC000906629603 659562502 /nfs/dbraw/zinc/56/25/02/659562502.db2.gz JZJBMBRJNVSZHR-ZDUSSCGKSA-N 1 0 386.751 1.594 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC000906671784 659568055 /nfs/dbraw/zinc/56/80/55/659568055.db2.gz IPZBCRYPQWQDTQ-CYBMUJFWSA-N 1 0 389.543 1.563 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906675626 659569030 /nfs/dbraw/zinc/56/90/30/659569030.db2.gz JFUPIYSTMGIAOE-NSHDSACASA-N 1 0 381.889 1.795 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2cccn3ncc(Br)c23)CCOCC1 ZINC000906698560 659573041 /nfs/dbraw/zinc/57/30/41/659573041.db2.gz XUAOUTUQNREVNV-UHFFFAOYSA-N 1 0 381.274 1.937 20 0 GDADRO NC(=O)CCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000906741465 659578933 /nfs/dbraw/zinc/57/89/33/659578933.db2.gz SAOXFFVMHIRUBM-UHFFFAOYSA-N 1 0 398.301 1.674 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000906772588 659585248 /nfs/dbraw/zinc/58/52/48/659585248.db2.gz YYKFDBDYVWNFRR-JTQLQIEISA-N 1 0 377.388 1.684 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000906780228 659585981 /nfs/dbraw/zinc/58/59/81/659585981.db2.gz KUTPDGFIXMBKBE-SNVBAGLBSA-N 1 0 388.237 1.282 20 0 GDADRO Cc1cc(OCC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000906780098 659586096 /nfs/dbraw/zinc/58/60/96/659586096.db2.gz RCFMGQHZUBVEQE-BBRMVZONSA-N 1 0 384.318 1.887 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)c1c[nH]c2c1cccc2Br ZINC000907114364 659671409 /nfs/dbraw/zinc/67/14/09/659671409.db2.gz UGICZMSEVCMYRH-UHFFFAOYSA-N 1 0 390.303 1.787 20 0 GDADRO C[C@H](CNS(=O)(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C[NH+](C)C ZINC000907199776 659698129 /nfs/dbraw/zinc/69/81/29/659698129.db2.gz URAKLRPEISWLDF-CQSZACIVSA-N 1 0 377.551 1.751 20 0 GDADRO Cc1c(C(=O)NCCOCC[NH+](C)C)nnn1-c1ccccc1Br ZINC000907232791 659704058 /nfs/dbraw/zinc/70/40/58/659704058.db2.gz FSBSJDHCLMOADM-UHFFFAOYSA-N 1 0 396.289 1.646 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3c[nH]c4ncc(Cl)cc34)C2)CC1 ZINC000907300819 659722523 /nfs/dbraw/zinc/72/25/23/659722523.db2.gz UKLJNNJNUYFBJQ-UHFFFAOYSA-N 1 0 383.905 1.084 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907336075 659730103 /nfs/dbraw/zinc/73/01/03/659730103.db2.gz IGVRXIPEGVBBAS-WMLDXEAASA-N 1 0 385.302 1.962 20 0 GDADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC2)CC1 ZINC000907379284 659741770 /nfs/dbraw/zinc/74/17/70/659741770.db2.gz PUEQBTPTRRWCDX-FRRDWIJNSA-N 1 0 386.751 1.782 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1nnn(-c2ccccc2Br)c1C ZINC000907440352 659752546 /nfs/dbraw/zinc/75/25/46/659752546.db2.gz HSPPIEZVJKXMRD-UHFFFAOYSA-N 1 0 396.289 1.382 20 0 GDADRO CC(C)n1cc(Br)c(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)n1 ZINC000907451160 659754949 /nfs/dbraw/zinc/75/49/49/659754949.db2.gz ANQRIBHYIJKHGE-ZDUSSCGKSA-N 1 0 386.338 1.982 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000907518021 659771611 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Cc1noc([C@@H]2C[C@@H]3CCN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@H]3O2)n1 ZINC001164648060 719297660 /nfs/dbraw/zinc/29/76/60/719297660.db2.gz FRNFGWDFVVHPEV-HRCADAONSA-N 1 0 385.472 1.276 20 0 GDADRO CC(C)C[NH+]1CCN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)CC1 ZINC001164657512 719336363 /nfs/dbraw/zinc/33/63/63/719336363.db2.gz PAOMTXMKTYEMSI-UHFFFAOYSA-N 1 0 382.864 1.705 20 0 GDADRO C[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(N5CCOCC5)cc4)nn3)C[C@@H]21 ZINC001164665621 719469178 /nfs/dbraw/zinc/46/91/78/719469178.db2.gz ARGZPTNKADJRPD-PMACEKPBSA-N 1 0 381.480 1.499 20 0 GDADRO CCNS(=O)(=O)c1ccc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679435 719638000 /nfs/dbraw/zinc/63/80/00/719638000.db2.gz ALDURWCNKMOASJ-UHFFFAOYSA-N 1 0 392.529 1.051 20 0 GDADRO CCOC(=O)c1cc2ccnc(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)c2[nH]1 ZINC001164685124 719712316 /nfs/dbraw/zinc/71/23/16/719712316.db2.gz REVZXXPRPPBUBN-UHFFFAOYSA-N 1 0 399.495 1.920 20 0 GDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164689591 719742592 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BOTOVHGJDQVIJS-XLIONFOSSA-N 1 0 381.480 1.672 20 0 GDADRO CN1CCN(c2ncnc3c2CCN(c2cc(C[NH+](C)C)ccn2)CC3)CC1 ZINC001165001949 722238658 /nfs/dbraw/zinc/23/86/58/722238658.db2.gz PJRHRDKULSACGP-UHFFFAOYSA-N 1 0 381.528 1.290 20 0 GDADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1ncn3C1CC1)CCC2 ZINC001165004515 722256806 /nfs/dbraw/zinc/25/68/06/722256806.db2.gz TWJHJMPBIJVHIV-UHFFFAOYSA-N 1 0 396.499 1.846 20 0 GDADRO Cn1cc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cn1 ZINC000737603881 945099663 /nfs/dbraw/zinc/09/96/63/945099663.db2.gz GHSNNENSJFCYTB-RHSMWYFYSA-N 1 0 378.440 1.195 20 0 GDADRO CCC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)CC(=O)NC ZINC000736471275 944828843 /nfs/dbraw/zinc/82/88/43/944828843.db2.gz MWKONJODLVOMNZ-UHFFFAOYSA-N 1 0 379.852 1.307 20 0 GDADRO C[C@H](NC(=O)c1cnsn1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571261850 945431475 /nfs/dbraw/zinc/43/14/75/945431475.db2.gz KLTAQFNEDKYOTF-JTQLQIEISA-N 1 0 385.457 1.148 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)c1cc[nH]c(=O)c1 ZINC001571262374 945436626 /nfs/dbraw/zinc/43/66/26/945436626.db2.gz QHGKMZFVFZKJEC-UHFFFAOYSA-N 1 0 385.453 1.423 20 0 GDADRO COC1CCC(C(=O)N2C[C@@H](C)[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001571263930 945471423 /nfs/dbraw/zinc/47/14/23/945471423.db2.gz CFBTZBFCUGXDQR-QROZZAMVSA-N 1 0 385.472 1.148 20 0 GDADRO Cc1cc(N(C)C[C@@H]2CCCN2C(=O)[C@H]2CCCOC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264097 945476310 /nfs/dbraw/zinc/47/63/10/945476310.db2.gz GCWIBVZPKYUAME-GJZGRUSLSA-N 1 0 385.472 1.424 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC2(C1)CCC[N@H+](C[C@@H]1CCCCO1)C2 ZINC001571265050 945499560 /nfs/dbraw/zinc/49/95/60/945499560.db2.gz BHWDEMGMZSJCTD-HNNXBMFYSA-N 1 0 385.472 1.302 20 0 GDADRO Cc1cc(N[C@H]2CC[C@H](NC(=O)C3CCOCC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266364 945538825 /nfs/dbraw/zinc/53/88/25/945538825.db2.gz PGFMUWUDJBNLOI-SHTZXODSSA-N 1 0 385.472 1.258 20 0 GDADRO O=C([C@H]1CCCCO1)N1CCC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571266362 945539285 /nfs/dbraw/zinc/53/92/85/945539285.db2.gz PEBRBNRBORZEFS-WMLDXEAASA-N 1 0 385.472 1.293 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCCOC1 ZINC001571266535 945543833 /nfs/dbraw/zinc/54/38/33/945543833.db2.gz TVEXCYSJSQIPEE-IAOVAPTHSA-N 1 0 385.472 1.300 20 0 GDADRO O=C(CC1CCOCC1)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571266520 945543877 /nfs/dbraw/zinc/54/38/77/945543877.db2.gz SULQOHJAWNSGBX-HOCLYGCPSA-N 1 0 385.472 1.197 20 0 GDADRO O=C(NCC1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571266705 945549360 /nfs/dbraw/zinc/54/93/60/945549360.db2.gz XEOAZQJJLNUYHD-DNVCBOLYSA-N 1 0 385.472 1.063 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271373 945642904 /nfs/dbraw/zinc/64/29/04/945642904.db2.gz BATXJACGBRUVIY-VXGBXAGGSA-N 1 0 386.485 1.078 20 0 GDADRO Cc1csc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001571271620 945645851 /nfs/dbraw/zinc/64/58/51/945645851.db2.gz FWASESRUPZGMTR-ZDUSSCGKSA-N 1 0 386.485 1.744 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCC(N(C)c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+](C)C ZINC001571271583 945646346 /nfs/dbraw/zinc/64/63/46/945646346.db2.gz DYEPYMNGYGXUNC-KRWDZBQOSA-N 1 0 386.504 1.275 20 0 GDADRO CC[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[nH]n2)c(C)n1)[NH+](C)C ZINC001571271681 945648405 /nfs/dbraw/zinc/64/84/05/945648405.db2.gz HCXOAWWTWWUNPG-ZBFHGGJFSA-N 1 0 386.504 1.703 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271867 945652030 /nfs/dbraw/zinc/65/20/30/945652030.db2.gz LHFXPRUCYDCMIY-JQWIXIFHSA-N 1 0 386.485 1.743 20 0 GDADRO CC(C)[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[nH]n3)nc2)C1)[NH+](C)C ZINC001571272034 945653918 /nfs/dbraw/zinc/65/39/18/945653918.db2.gz NHBIQTKFOVDTHP-NVXWUHKLSA-N 1 0 386.504 1.275 20 0 GDADRO C[C@@H]1CCN(C(=O)CC(C)(C)O)[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571272077 945653982 /nfs/dbraw/zinc/65/39/82/945653982.db2.gz OUUINKHUKAYGGA-PBHICJAKSA-N 1 0 386.500 1.744 20 0 GDADRO Cc1nc(N2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)ccc1-c1nn[nH]n1 ZINC001571271913 945654680 /nfs/dbraw/zinc/65/46/80/945654680.db2.gz MLLFOPAUKXUCBV-QGZVFWFLSA-N 1 0 386.504 1.195 20 0 GDADRO CC[C@@H](C(=O)N1CCCC[C@H]1CNc1nc(C)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001571272283 945660462 /nfs/dbraw/zinc/66/04/62/945660462.db2.gz QQMFRPTUPMWIPD-HOCLYGCPSA-N 1 0 386.504 1.703 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821268434 945662756 /nfs/dbraw/zinc/66/27/56/945662756.db2.gz WUWHFUGHOJPKCV-ZDUSSCGKSA-N 1 0 377.880 1.875 20 0 GDADRO O=C(Cn1cc(Cl)cn1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571274685 945698399 /nfs/dbraw/zinc/69/83/99/945698399.db2.gz JYSSYMAXOYVCDS-OAHLLOKOSA-N 1 0 386.847 1.107 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCOC3)C2)cc1-c1nn[nH]n1 ZINC001571276088 945722846 /nfs/dbraw/zinc/72/28/46/945722846.db2.gz HAYODAUQVSTKPG-KKUMJFAQSA-N 1 0 386.456 1.039 20 0 GDADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000821596322 945735630 /nfs/dbraw/zinc/73/56/30/945735630.db2.gz GWBSEAGYLGLBGW-HNNXBMFYSA-N 1 0 395.471 1.586 20 0 GDADRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821630037 945758281 /nfs/dbraw/zinc/75/82/81/945758281.db2.gz JVXTYAVQBUAERP-ZJUUUORDSA-N 1 0 391.501 1.058 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ccns1 ZINC001571279748 945786585 /nfs/dbraw/zinc/78/65/85/945786585.db2.gz UPPRJGFSVXKOIH-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CCCO3)C2)cc1-c1nn[nH]n1 ZINC001571280029 945794993 /nfs/dbraw/zinc/79/49/93/945794993.db2.gz ZUBCRTSEDIAGED-ZNMIVQPWSA-N 1 0 386.456 1.181 20 0 GDADRO CCc1nc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c(C)o1 ZINC001571281085 945798441 /nfs/dbraw/zinc/79/84/41/945798441.db2.gz CDFURVJNSVWODL-LLVKDONJSA-N 1 0 387.469 1.791 20 0 GDADRO Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)s1 ZINC001571281576 945806246 /nfs/dbraw/zinc/80/62/46/945806246.db2.gz IYBCMILZOZMVIM-VIFPVBQESA-N 1 0 387.473 1.310 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@H]2C)o1 ZINC001571282044 945826006 /nfs/dbraw/zinc/82/60/06/945826006.db2.gz RJEZXSSFPDBKNH-QMTHXVAHSA-N 1 0 387.469 1.546 20 0 GDADRO CC(=O)N1CC[N@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CC12CCCCC2 ZINC001573450639 945828926 /nfs/dbraw/zinc/82/89/26/945828926.db2.gz LNNJDMSDOLSZSQ-SFHVURJKSA-N 1 0 384.484 1.767 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2C)on1 ZINC001571282414 945841510 /nfs/dbraw/zinc/84/15/10/945841510.db2.gz XRHVWLCOTPKKSK-ZYHUDNBSSA-N 1 0 387.469 1.723 20 0 GDADRO O=C(c1nccs1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282766 945860886 /nfs/dbraw/zinc/86/08/86/945860886.db2.gz QFBYSWQEIWEYSS-GFCCVEGCSA-N 1 0 387.444 1.857 20 0 GDADRO O=C(NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1cscn1 ZINC001571282786 945861939 /nfs/dbraw/zinc/86/19/39/945861939.db2.gz QXDBDPZCBAPOSY-UHFFFAOYSA-N 1 0 387.444 1.761 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571282789 945863829 /nfs/dbraw/zinc/86/38/29/945863829.db2.gz QYGMLDJHUYXOBP-CJNGLKHVSA-N 1 0 387.463 1.893 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001571283041 945874035 /nfs/dbraw/zinc/87/40/35/945874035.db2.gz YIOFRJRZUQKZFK-QGZVFWFLSA-N 1 0 387.463 1.134 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571283101 945878244 /nfs/dbraw/zinc/87/82/44/945878244.db2.gz ZFPLFZVBAHBORG-QGZVFWFLSA-N 1 0 387.463 1.179 20 0 GDADRO CC[C@@H](C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1)OC ZINC001571283158 945878590 /nfs/dbraw/zinc/87/85/90/945878590.db2.gz ALIUJNRJEDKTQE-KXBFYZLASA-N 1 0 387.488 1.548 20 0 GDADRO C[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571283438 945885385 /nfs/dbraw/zinc/88/53/85/945885385.db2.gz FXZLFFULCLBVPU-CXAGYDPISA-N 1 0 387.488 1.452 20 0 GDADRO CC[C@H](C(=O)N1CCC(CCNc2nccnc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001571283730 945890363 /nfs/dbraw/zinc/89/03/63/945890363.db2.gz IPNSRQTXBUYNAL-CQSZACIVSA-N 1 0 387.492 1.038 20 0 GDADRO COc1cccc(N2C[C@H]([NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2=O)c1 ZINC000821871774 945891185 /nfs/dbraw/zinc/89/11/85/945891185.db2.gz DODAYQRAPBDGOJ-CRAIPNDOSA-N 1 0 394.435 1.304 20 0 GDADRO C[N@H+](C[C@H](O)C1CCCCC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571284931 945909012 /nfs/dbraw/zinc/90/90/12/945909012.db2.gz WSAOJRAWCZZKFI-WBVHZDCISA-N 1 0 387.488 1.282 20 0 GDADRO 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C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571288894 945992446 /nfs/dbraw/zinc/99/24/46/945992446.db2.gz UDGVOFSBWBIAPM-HNAYVOBHSA-N 1 0 388.447 1.276 20 0 GDADRO C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571289163 945995909 /nfs/dbraw/zinc/99/59/09/945995909.db2.gz WEHAIAJXEHZSQD-PBFPGSCMSA-N 1 0 388.447 1.369 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@H]1CCOC1 ZINC001571289239 945997755 /nfs/dbraw/zinc/99/77/55/945997755.db2.gz XUZQRSMEFSMHHC-GJZGRUSLSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571289315 946000285 /nfs/dbraw/zinc/00/02/85/946000285.db2.gz ZNMABGSLZTXCLZ-REBRKWNGSA-N 1 0 388.447 1.415 20 0 GDADRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289438 946006095 /nfs/dbraw/zinc/00/60/95/946006095.db2.gz DKZOSKJWXJZKKV-JTQLQIEISA-N 1 0 388.457 1.060 20 0 GDADRO 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JXDFDYAJAQHVCQ-GDBMZVCRSA-N 1 0 380.456 1.405 20 0 GDADRO CC(=O)CCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001573367975 947765224 /nfs/dbraw/zinc/76/52/24/947765224.db2.gz JYGXHVLSJYCVNN-UHFFFAOYSA-N 1 0 382.468 1.660 20 0 GDADRO C[C@H](C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccco1 ZINC001573628950 947769915 /nfs/dbraw/zinc/76/99/15/947769915.db2.gz PIQVPTZKSNVHSB-UONOGXRCSA-N 1 0 381.440 1.873 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573369823 947776947 /nfs/dbraw/zinc/77/69/47/947776947.db2.gz XKAAAWIQVWEJPA-RISCZKNCSA-N 1 0 376.486 1.624 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573372861 947784943 /nfs/dbraw/zinc/78/49/43/947784943.db2.gz DYVHBZFRPVVUHA-CABCVRRESA-N 1 0 385.472 1.482 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573373007 947789253 /nfs/dbraw/zinc/78/92/53/947789253.db2.gz HCUGYUBNSHIYQZ-CQSZACIVSA-N 1 0 388.447 1.703 20 0 GDADRO C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001573630299 947789972 /nfs/dbraw/zinc/78/99/72/947789972.db2.gz XSZRYGPYSLLDJF-LSDHHAIUSA-N 1 0 380.456 1.539 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@@H]1C ZINC001573373345 947792613 /nfs/dbraw/zinc/79/26/13/947792613.db2.gz IDJIRCXRXJIKCJ-JSGCOSHPSA-N 1 0 376.486 1.767 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000826279453 947803927 /nfs/dbraw/zinc/80/39/27/947803927.db2.gz QGHNPAJTBLHTCY-CYBMUJFWSA-N 1 0 378.502 1.526 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573374119 947804975 /nfs/dbraw/zinc/80/49/75/947804975.db2.gz MPJHJQGMVKFKRB-INIZCTEOSA-N 1 0 388.447 1.798 20 0 GDADRO CC(=O)CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573375105 947816044 /nfs/dbraw/zinc/81/60/44/947816044.db2.gz QURLBTWVARSHIK-PBHICJAKSA-N 1 0 385.472 1.624 20 0 GDADRO C[C@H](C(=O)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cccc1 ZINC001573637638 947819585 /nfs/dbraw/zinc/81/95/85/947819585.db2.gz LNBPDCVWOMCDNK-MRXNPFEDSA-N 1 0 379.468 1.964 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573377143 947848109 /nfs/dbraw/zinc/84/81/09/947848109.db2.gz JLRQOBMOOCJZAT-CJNGLKHVSA-N 1 0 399.499 1.790 20 0 GDADRO CC(=O)CCCC(=O)NC[C@]1(C)CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573380323 947857391 /nfs/dbraw/zinc/85/73/91/947857391.db2.gz AWUCANFHMALVDG-IBGZPJMESA-N 1 0 385.472 1.744 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573382827 947887819 /nfs/dbraw/zinc/88/78/19/947887819.db2.gz LAJJBUQKVQHMKD-SAZUREKKSA-N 1 0 388.447 1.750 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)C1CCCC1 ZINC001573647189 947887968 /nfs/dbraw/zinc/88/79/68/947887968.db2.gz DONISXFXSSJVJB-CWRNSKLLSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573647382 947891348 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IRKQINPQNHRTCV-UHFFFAOYSA-N 1 0 375.477 1.676 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2)n1cccc1 ZINC001573663120 948032054 /nfs/dbraw/zinc/03/20/54/948032054.db2.gz JDOTYBHRNBUMLH-PBHICJAKSA-N 1 0 392.467 1.800 20 0 GDADRO Cc1onc(CC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1-c1nn[nH]n1 ZINC000826346819 948046382 /nfs/dbraw/zinc/04/63/82/948046382.db2.gz WJQUQPMENNIWSG-LBPRGKRZSA-N 1 0 383.456 1.951 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573666003 948078979 /nfs/dbraw/zinc/07/89/79/948078979.db2.gz OMMJBVUHXLUOEO-GOEBONIOSA-N 1 0 380.456 1.405 20 0 GDADRO Cn1cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360247 948117125 /nfs/dbraw/zinc/11/71/25/948117125.db2.gz CPGKDEJCYNLLLG-KRWDZBQOSA-N 1 0 395.467 1.995 20 0 GDADRO Cn1cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360276 948120398 /nfs/dbraw/zinc/12/03/98/948120398.db2.gz DQTKOQGTDKABHA-INIZCTEOSA-N 1 0 380.456 1.497 20 0 GDADRO C[C@H](C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573677240 948132834 /nfs/dbraw/zinc/13/28/34/948132834.db2.gz WWHDYEMLDSWICP-ZDUSSCGKSA-N 1 0 378.440 1.545 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573680206 948175412 /nfs/dbraw/zinc/17/54/12/948175412.db2.gz MRCCKONPIZJWNQ-YPMHNXCESA-N 1 0 378.452 1.255 20 0 GDADRO CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573432075 948185046 /nfs/dbraw/zinc/18/50/46/948185046.db2.gz CTBXQHSWUOFLHV-JSGCOSHPSA-N 1 0 386.353 1.895 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccsc1 ZINC001573680711 948186637 /nfs/dbraw/zinc/18/66/37/948186637.db2.gz PTDOTEVHBWBMTJ-MLGOLLRUSA-N 1 0 386.481 1.299 20 0 GDADRO CC(=O)N1CCC([C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC001573435265 948225323 /nfs/dbraw/zinc/22/53/23/948225323.db2.gz VDIAMORZDVZMKR-RBUKOAKNSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)C(F)(F)F ZINC001573692207 948259424 /nfs/dbraw/zinc/25/94/24/948259424.db2.gz NCWKDZJYIAMFMK-SECBINFHSA-N 1 0 386.353 1.943 20 0 GDADRO C[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573696177 948317730 /nfs/dbraw/zinc/31/77/30/948317730.db2.gz LTUUSKNDGNHVKN-IYXRBSQSSA-N 1 0 385.497 1.975 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@H]2Cn2cccn2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477161 948387739 /nfs/dbraw/zinc/38/77/39/948387739.db2.gz WSWNZVDEUQFDGO-ZWKOTPCHSA-N 1 0 392.467 1.723 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCCO1)C1CC1 ZINC001573708699 948458480 /nfs/dbraw/zinc/45/84/80/948458480.db2.gz XIILOGQVZHNZQA-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573731571 948593066 /nfs/dbraw/zinc/59/30/66/948593066.db2.gz GYKXGOSAAJUXDO-QWRGUYRKSA-N 1 0 387.394 1.682 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573741965 948657950 /nfs/dbraw/zinc/65/79/50/948657950.db2.gz GYKXGOSAAJUXDO-MNOVXSKESA-N 1 0 387.394 1.682 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573743145 948668177 /nfs/dbraw/zinc/66/81/77/948668177.db2.gz YWAOFNJDIABUKE-PBHICJAKSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](CNC(=O)CCc1cccc(F)c1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574914319 948747604 /nfs/dbraw/zinc/74/76/04/948747604.db2.gz IIQGBVZUOBOWCX-NSHDSACASA-N 1 0 387.394 1.511 20 0 GDADRO CC(C)c1ccc(C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001574416491 948750795 /nfs/dbraw/zinc/75/07/95/948750795.db2.gz VNELJMBTTSMZHP-OAHLLOKOSA-N 1 0 392.467 1.919 20 0 GDADRO C[C@H](CNC(=O)CCc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574914876 948757905 /nfs/dbraw/zinc/75/79/05/948757905.db2.gz OKIPIUJWFKEPJT-CYBMUJFWSA-N 1 0 383.431 1.628 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccccn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 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MHSZHNGZQIRXBD-NSHDSACASA-N 1 0 387.469 1.071 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574918608 948856621 /nfs/dbraw/zinc/85/66/21/948856621.db2.gz OQBLYITZIMQGAN-CQSZACIVSA-N 1 0 391.545 1.741 20 0 GDADRO CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)F ZINC001573763790 948877064 /nfs/dbraw/zinc/87/70/64/948877064.db2.gz HUAGYVDDSSIRSW-LBPRGKRZSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnc[nH]1 ZINC001573764310 948885175 /nfs/dbraw/zinc/88/51/75/948885175.db2.gz MGPPHHGPJGDDNQ-OAHLLOKOSA-N 1 0 380.456 1.258 20 0 GDADRO C[C@@H](CNC(=O)CCc1nccs1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920254 948896461 /nfs/dbraw/zinc/89/64/61/948896461.db2.gz GYKRMNDZGZZUCK-JTQLQIEISA-N 1 0 377.499 1.612 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574920469 948901223 /nfs/dbraw/zinc/90/12/23/948901223.db2.gz LXTYMCXVDUWEOE-NSHDSACASA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)(C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[NH+]1CCCCC1 ZINC001573765376 948904408 /nfs/dbraw/zinc/90/44/08/948904408.db2.gz AOVPUXXABOPXJK-UHFFFAOYSA-N 1 0 384.488 1.175 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574432510 948936908 /nfs/dbraw/zinc/93/69/08/948936908.db2.gz LQTIOCHBXRLOIC-OAHLLOKOSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574687733 948957484 /nfs/dbraw/zinc/95/74/84/948957484.db2.gz QZWZEQALOLWMJF-CQSZACIVSA-N 1 0 386.504 1.833 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574433619 948959121 /nfs/dbraw/zinc/95/91/21/948959121.db2.gz ZEFBSMYNILYDDS-NSHDSACASA-N 1 0 386.485 1.750 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC001573773082 948974734 /nfs/dbraw/zinc/97/47/34/948974734.db2.gz GISQILZYRZVJGU-MRVPVSSYSA-N 1 0 392.407 1.083 20 0 GDADRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCC1 ZINC001573773319 948978727 /nfs/dbraw/zinc/97/87/27/948978727.db2.gz KLMMLOBRSSPDGE-LBPRGKRZSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)CC2 ZINC001575243641 948996411 /nfs/dbraw/zinc/99/64/11/948996411.db2.gz PSPSEMPJHXPUHO-CYBMUJFWSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574926469 949003396 /nfs/dbraw/zinc/00/33/96/949003396.db2.gz RKDVACMIGFOLBA-LBPRGKRZSA-N 1 0 377.468 1.900 20 0 GDADRO C[C@H](Oc1cccnc1)C(=O)NCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575502845 949032496 /nfs/dbraw/zinc/03/24/96/949032496.db2.gz LDSHEUCYQMWCRQ-AWEZNQCLSA-N 1 0 381.440 1.277 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573775299 949042116 /nfs/dbraw/zinc/04/21/16/949042116.db2.gz VZGJGPVCZHOJNV-AWEZNQCLSA-N 1 0 390.463 1.399 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001574694375 949072554 /nfs/dbraw/zinc/07/25/54/949072554.db2.gz OJGNJDSPPKWWOR-CZUORRHYSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1ncccc1-c1nn[nH]n1 ZINC001574694449 949075655 /nfs/dbraw/zinc/07/56/55/949075655.db2.gz PANIKKBYESRIKO-CQSZACIVSA-N 1 0 386.504 1.785 20 0 GDADRO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574694515 949078526 /nfs/dbraw/zinc/07/85/26/949078526.db2.gz QNGIDKOPQAMHIJ-ZDUSSCGKSA-N 1 0 387.492 1.180 20 0 GDADRO CC(C)c1nocc1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574441884 949083381 /nfs/dbraw/zinc/08/33/81/949083381.db2.gz DNVCXEVXWMGOGB-HNNXBMFYSA-N 1 0 382.428 1.416 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575249220 949093130 /nfs/dbraw/zinc/09/31/30/949093130.db2.gz XSUWXTPNYGENDM-CHWSQXEVSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574931723 949122789 /nfs/dbraw/zinc/12/27/89/949122789.db2.gz RAOMJESDXASTME-GFCCVEGCSA-N 1 0 378.502 1.872 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574446199 949125866 /nfs/dbraw/zinc/12/58/66/949125866.db2.gz JVGKYDBMJPUIMU-LLVKDONJSA-N 1 0 390.469 1.525 20 0 GDADRO CC(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001574094122 949126286 /nfs/dbraw/zinc/12/62/86/949126286.db2.gz XMZIDYBXZBOVQV-UONOGXRCSA-N 1 0 385.472 1.053 20 0 GDADRO CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCNc1snc(Cl)c1-c1nn[nH]n1 ZINC001574696829 949141646 /nfs/dbraw/zinc/14/16/46/949141646.db2.gz VMNXHUJRGMQCNP-VIFPVBQESA-N 1 0 386.913 1.624 20 0 GDADRO C[C@@H](CNC(=O)COCC1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574932363 949141846 /nfs/dbraw/zinc/14/18/46/949141846.db2.gz YLGQQMUOJRUOOS-LBPRGKRZSA-N 1 0 378.502 1.729 20 0 GDADRO CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCNc1snc(Cl)c1-c1nn[nH]n1 ZINC001574696828 949143157 /nfs/dbraw/zinc/14/31/57/949143157.db2.gz VMNXHUJRGMQCNP-SECBINFHSA-N 1 0 386.913 1.624 20 0 GDADRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001574095844 949155845 /nfs/dbraw/zinc/15/58/45/949155845.db2.gz ZKTBCXCLVSUFCA-GOEBONIOSA-N 1 0 391.501 1.145 20 0 GDADRO CC(C)c1ocnc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574447526 949160894 /nfs/dbraw/zinc/16/08/94/949160894.db2.gz RKKTXNFEENVHCK-OAHLLOKOSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574934595 949168637 /nfs/dbraw/zinc/16/86/37/949168637.db2.gz LTBKKMZDEMGEMT-NSHDSACASA-N 1 0 390.444 1.741 20 0 GDADRO C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575253095 949180391 /nfs/dbraw/zinc/18/03/91/949180391.db2.gz IKURDYBUEGWDNE-QWHCGFSZSA-N 1 0 378.440 1.116 20 0 GDADRO C[C@H](c1cnccn1)[NH+]1CCC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001575515670 949192654 /nfs/dbraw/zinc/19/26/54/949192654.db2.gz KCIVGURYEFOOGY-GFCCVEGCSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575516987 949220630 /nfs/dbraw/zinc/22/06/30/949220630.db2.gz SIOCVZLUDJHGQS-STQMWFEESA-N 1 0 381.444 1.330 20 0 GDADRO CC(C)(C)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001573791825 949228857 /nfs/dbraw/zinc/22/88/57/949228857.db2.gz GSHZCBKETHTJHZ-UHFFFAOYSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@H](c1cnccn1)[N@H+](C)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575517558 949232082 /nfs/dbraw/zinc/23/20/82/949232082.db2.gz WUANHUPYXMBGBP-GFCCVEGCSA-N 1 0 381.444 1.282 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC001575854651 949236837 /nfs/dbraw/zinc/23/68/37/949236837.db2.gz YZKJGOGUXMQXFG-SOUVJXGZSA-N 1 0 381.484 1.913 20 0 GDADRO C[C@@H](NC(=O)[C@]1(C)CCCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575257326 949272758 /nfs/dbraw/zinc/27/27/58/949272758.db2.gz ZYZSUXLOTOUDSL-KZULUSFZSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(C(F)F)CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574703045 949305553 /nfs/dbraw/zinc/30/55/53/949305553.db2.gz PONCVLQQFHWJOM-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](c1nc(-c2nc[nH]n2)no1)[NH+]1CCC(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575525031 949332101 /nfs/dbraw/zinc/33/21/01/949332101.db2.gz VQYKQPSWSJKELM-NSHDSACASA-N 1 0 392.427 1.975 20 0 GDADRO CC(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574110285 949358915 /nfs/dbraw/zinc/35/89/15/949358915.db2.gz XRLKHOLIJLUMQD-DYVFJYSZSA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)CC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCOCC1 ZINC001574110813 949370701 /nfs/dbraw/zinc/37/07/01/949370701.db2.gz BXRXGAKJJRGFKI-UHFFFAOYSA-N 1 0 378.502 1.729 20 0 GDADRO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001574704631 949399412 /nfs/dbraw/zinc/39/94/12/949399412.db2.gz DRWUEXXERCEQCT-KBPBESRZSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574946239 949430353 /nfs/dbraw/zinc/43/03/53/949430353.db2.gz TUMGNXOREQUNBL-NSHDSACASA-N 1 0 387.394 1.377 20 0 GDADRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573803940 949457777 /nfs/dbraw/zinc/45/77/77/949457777.db2.gz XVDUORFGAAZJKM-YOEHRIQHSA-N 1 0 386.500 1.774 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCC1(F)F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574707243 949467727 /nfs/dbraw/zinc/46/77/27/949467727.db2.gz OGOBGGQPNSFVQI-ZWNOBZJWSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574469734 949481174 /nfs/dbraw/zinc/48/11/74/949481174.db2.gz GKIQINRGFIAFKA-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](NC(=O)CC(F)(F)F)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575266659 949484503 /nfs/dbraw/zinc/48/45/03/949484503.db2.gz DIHZFNIYIQUICK-SECBINFHSA-N 1 0 386.353 1.895 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574469848 949486277 /nfs/dbraw/zinc/48/62/77/949486277.db2.gz IKSOSHXHQORDAH-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)CC(=O)NC[C@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCO1 ZINC001574118938 949491594 /nfs/dbraw/zinc/49/15/94/949491594.db2.gz GWDJODTTYJBNNB-HNNXBMFYSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](NC(=O)CC1(O)CCC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575267699 949508915 /nfs/dbraw/zinc/50/89/15/949508915.db2.gz JZANPBJPBZJGOS-GFCCVEGCSA-N 1 0 388.447 1.247 20 0 GDADRO CC1(C(=O)N2CCC[C@](CO)([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCC1 ZINC001575538862 949530758 /nfs/dbraw/zinc/53/07/58/949530758.db2.gz JYVGYUQPTVKNQN-FQEVSTJZSA-N 1 0 384.484 1.500 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccncc1-c1nn[nH]n1 ZINC001575872382 949542062 /nfs/dbraw/zinc/54/20/62/949542062.db2.gz IRQBWJAYAYEXTH-HIFRSBDPSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575872657 949552211 /nfs/dbraw/zinc/55/22/11/949552211.db2.gz KRVRXDPZMRNDSM-DZGCQCFKSA-N 1 0 384.488 1.077 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cn[nH]n1 ZINC001573811113 949591701 /nfs/dbraw/zinc/59/17/01/949591701.db2.gz HRGJIXMBUKVIOO-CQSZACIVSA-N 1 0 387.423 1.058 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001575270695 949597092 /nfs/dbraw/zinc/59/70/92/949597092.db2.gz FDQNLUJOIDKPJD-HUUCEWRRSA-N 1 0 386.504 1.833 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574957237 949602757 /nfs/dbraw/zinc/60/27/57/949602757.db2.gz UIKQJRBKJYRMHL-VHSSKADRSA-N 1 0 384.484 1.618 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1=CCOCC1 ZINC001573811782 949608218 /nfs/dbraw/zinc/60/82/18/949608218.db2.gz NJLFGUODDAVKTF-QGZVFWFLSA-N 1 0 384.484 1.834 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575874480 949615752 /nfs/dbraw/zinc/61/57/52/949615752.db2.gz SQVXNNJLGKBJCD-KDOFPFPSSA-N 1 0 382.468 1.683 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574957537 949620139 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ACCDARANGDICEC-CYBMUJFWSA-N 1 0 375.477 1.179 20 0 GDADRO CC1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CCOCC1 ZINC001575585533 950196864 /nfs/dbraw/zinc/19/68/64/950196864.db2.gz AHGXGVURYWNDMT-INIZCTEOSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ncccn1 ZINC001575900452 950199563 /nfs/dbraw/zinc/19/95/63/950199563.db2.gz FHCMFPGESRFGRD-IAQYHMDHSA-N 1 0 382.403 1.189 20 0 GDADRO CC(C)(C)CCC[NH+]1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573845306 950216721 /nfs/dbraw/zinc/21/67/21/950216721.db2.gz VXLIFTXSKRJIAB-UHFFFAOYSA-N 1 0 388.520 1.369 20 0 GDADRO CC(C)(C)CC[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCOCC1 ZINC001573845349 950226606 /nfs/dbraw/zinc/22/66/06/950226606.db2.gz XRCRFJIGLUVFEV-UHFFFAOYSA-N 1 0 375.477 1.500 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)C1=COCCC1 ZINC001575901484 950233823 /nfs/dbraw/zinc/23/38/23/950233823.db2.gz OEYKKQOJWSVAET-SJKOYZFVSA-N 1 0 386.431 1.779 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2csnn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575902083 950251226 /nfs/dbraw/zinc/25/12/26/950251226.db2.gz SEFBHVVCUJPNOM-RISCZKNCSA-N 1 0 384.469 1.501 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575588794 950254729 /nfs/dbraw/zinc/25/47/29/950254729.db2.gz SPFROIWKKZNZJW-KUHUBIRLSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(F)(F)F ZINC001574498141 950258839 /nfs/dbraw/zinc/25/88/39/950258839.db2.gz KKIKVIYXZPVESM-PWSUYJOCSA-N 1 0 386.378 1.022 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ccnn1C ZINC001575902490 950259138 /nfs/dbraw/zinc/25/91/38/950259138.db2.gz VROGRTFUVJSRDJ-IAQYHMDHSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccncc1 ZINC001575904802 950286028 /nfs/dbraw/zinc/28/60/28/950286028.db2.gz ATLSKZMJFFZJRF-SJCJKPOMSA-N 1 0 381.415 1.794 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCCO1 ZINC001574158762 950286796 /nfs/dbraw/zinc/28/67/96/950286796.db2.gz SAPMYBYXOKIQAW-HUUCEWRRSA-N 1 0 387.488 1.586 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccns1 ZINC001575905092 950287790 /nfs/dbraw/zinc/28/77/90/950287790.db2.gz BEGLYTCGSSIASN-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)COC1CCCC1 ZINC001575905142 950289547 /nfs/dbraw/zinc/28/95/47/950289547.db2.gz BLSARXPIHAXNLK-KBXCAEBGSA-N 1 0 384.484 1.905 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575905769 950300257 /nfs/dbraw/zinc/30/02/57/950300257.db2.gz FHYFYCCCXSCJNN-CMPLNLGQSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1csnn1 ZINC001575905999 950304808 /nfs/dbraw/zinc/30/48/08/950304808.db2.gz FPVUASAJYYHXAA-TVQRCGJNSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccncc1 ZINC001575906325 950307586 /nfs/dbraw/zinc/30/75/86/950307586.db2.gz HKQKULILWASCDF-SJKOYZFVSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ccc(F)cn1 ZINC001575906917 950320998 /nfs/dbraw/zinc/32/09/98/950320998.db2.gz KPZOOICXJQQSGV-GWCFXTLKSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)C1=CCOCC1 ZINC001575907170 950325259 /nfs/dbraw/zinc/32/52/59/950325259.db2.gz MBRDYXVZGRIMQL-SJKOYZFVSA-N 1 0 386.431 1.432 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cccc1 ZINC001574159940 950326311 /nfs/dbraw/zinc/32/63/11/950326311.db2.gz ZYLJSJPSMMYEFO-HNNXBMFYSA-N 1 0 382.472 1.518 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)COCC1CC1 ZINC001575907234 950330220 /nfs/dbraw/zinc/33/02/20/950330220.db2.gz NHJYHYWMGJDFGN-SJKOYZFVSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCc1ccon1 ZINC001575908245 950356537 /nfs/dbraw/zinc/35/65/37/950356537.db2.gz SYVFOHKYPXRNKE-FZMZJTMJSA-N 1 0 387.469 1.628 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H](O)c1ccccc1F ZINC001574744766 950365700 /nfs/dbraw/zinc/36/57/00/950365700.db2.gz AUZAEZUKLDYWNN-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574502388 950372588 /nfs/dbraw/zinc/37/25/88/950372588.db2.gz MPMRGIHIOBPNGW-ZIAGYGMSSA-N 1 0 381.440 1.991 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575908785 950376681 /nfs/dbraw/zinc/37/66/81/950376681.db2.gz DWUHAQFLGGYGSV-DYVFJYSZSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576198357 950404680 /nfs/dbraw/zinc/40/46/80/950404680.db2.gz SDWPGGJUVQNPRQ-ZIAGYGMSSA-N 1 0 387.463 1.751 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C)n1 ZINC001575909806 950409245 /nfs/dbraw/zinc/40/92/45/950409245.db2.gz IIAQJAWMXAUYRQ-IUODEOHRSA-N 1 0 383.460 1.365 20 0 GDADRO CC1(C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575597530 950414236 /nfs/dbraw/zinc/41/42/36/950414236.db2.gz SVHRWSLDCMCBTM-UONOGXRCSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[nH]n4)nc3)C2)C1 ZINC001576198834 950415134 /nfs/dbraw/zinc/41/51/34/950415134.db2.gz VQXHQUYUVAYHFE-HOCLYGCPSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575910443 950417797 /nfs/dbraw/zinc/41/77/97/950417797.db2.gz LBKCYLBNRCIDHT-CJNGLKHVSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575910411 950418357 /nfs/dbraw/zinc/41/83/57/950418357.db2.gz KUAGLLYZLIPRAR-YGRLFVJLSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC001574991827 950423244 /nfs/dbraw/zinc/42/32/44/950423244.db2.gz SIBTYQUXTJFFRS-ZDUSSCGKSA-N 1 0 382.472 1.511 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573860660 950426349 /nfs/dbraw/zinc/42/63/49/950426349.db2.gz LEGLEBNMRZJFNW-BBRMVZONSA-N 1 0 388.472 1.747 20 0 GDADRO C[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576199319 950427094 /nfs/dbraw/zinc/42/70/94/950427094.db2.gz YHRGLHCSHRLGTD-HOCLYGCPSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(CNc2ccc(-c3nn[nH]n3)cn2)C2CC2)C1 ZINC001576203675 950449403 /nfs/dbraw/zinc/44/94/03/950449403.db2.gz ICESWROMPDUCMO-YJYMSZOUSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574507388 950456409 /nfs/dbraw/zinc/45/64/09/950456409.db2.gz IFTCLGTWZDEDCU-SZOQZIPDSA-N 1 0 385.472 1.196 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCCOC1 ZINC001575605702 950478080 /nfs/dbraw/zinc/47/80/80/950478080.db2.gz OURRVMKIZDSRTN-KHYOSLBOSA-N 1 0 388.447 1.559 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@H]2CCN2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001576205069 950492211 /nfs/dbraw/zinc/49/22/11/950492211.db2.gz GNDKVAJRQSGWJV-GOSISDBHSA-N 1 0 383.500 1.289 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CCN(c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576205131 950498553 /nfs/dbraw/zinc/49/85/53/950498553.db2.gz VCTCEHXFHMRGSM-BFUOFWGJSA-N 1 0 387.463 1.433 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205255 950505508 /nfs/dbraw/zinc/50/55/08/950505508.db2.gz HZBKNBKUEUMZIG-UONOGXRCSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574509496 950509924 /nfs/dbraw/zinc/50/99/24/950509924.db2.gz VNXKKNCKSXIFEK-SOUVJXGZSA-N 1 0 380.456 1.443 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001574995407 950511030 /nfs/dbraw/zinc/51/10/30/950511030.db2.gz ZKHUCMBGNSLFCI-RFAUZJTJSA-N 1 0 387.394 1.868 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573866901 950513445 /nfs/dbraw/zinc/51/34/45/950513445.db2.gz NHQSMHDFPMYHIH-AWEZNQCLSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575915852 950526355 /nfs/dbraw/zinc/52/63/55/950526355.db2.gz XQEULMJBQUMYKZ-XJKSGUPXSA-N 1 0 392.467 1.402 20 0 GDADRO CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOCC1 ZINC001575609614 950526935 /nfs/dbraw/zinc/52/69/35/950526935.db2.gz ZKEWNUQIMFXLMN-JCNLHEQBSA-N 1 0 384.484 1.668 20 0 GDADRO CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576205656 950530090 /nfs/dbraw/zinc/53/00/90/950530090.db2.gz LTOXDXYSXSBMPV-WFASDCNBSA-N 1 0 390.467 1.295 20 0 GDADRO CC(C)c1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)nn1C ZINC001574996732 950534161 /nfs/dbraw/zinc/53/41/61/950534161.db2.gz PCPLIKFNXCPMCC-CYBMUJFWSA-N 1 0 382.472 1.632 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573867384 950534912 /nfs/dbraw/zinc/53/49/12/950534912.db2.gz YCSRHMJMCZAGJT-HNNXBMFYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576205852 950542653 /nfs/dbraw/zinc/54/26/53/950542653.db2.gz QJFNFWXDVCHRCY-ZDUSSCGKSA-N 1 0 390.467 1.439 20 0 GDADRO C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576205851 950544823 /nfs/dbraw/zinc/54/48/23/950544823.db2.gz QJFNFWXDVCHRCY-CYBMUJFWSA-N 1 0 390.467 1.439 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc2c(c1)CCN2C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574754106 950558118 /nfs/dbraw/zinc/55/81/18/950558118.db2.gz XYSXXMFEFWVEQZ-CYBMUJFWSA-N 1 0 392.467 1.249 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573869288 950559240 /nfs/dbraw/zinc/55/92/40/950559240.db2.gz NSCRSWXVIPWUIX-ZDUSSCGKSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)C2CC2)C1 ZINC001576206069 950560458 /nfs/dbraw/zinc/56/04/58/950560458.db2.gz UEXQOQGLPVWUDM-XHDPSFHLSA-N 1 0 388.451 1.049 20 0 GDADRO C[C@@H]1[C@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575917589 950579754 /nfs/dbraw/zinc/57/97/54/950579754.db2.gz ZJHWPQOLTJNAAQ-GDBMZVCRSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)no1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575000621 950607066 /nfs/dbraw/zinc/60/70/66/950607066.db2.gz QXQNNUZVRKEJMR-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO CC1(C)C(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1(C)C ZINC001575618151 950609448 /nfs/dbraw/zinc/60/94/48/950609448.db2.gz HITAUDWLIDYYTL-ZDUSSCGKSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)cn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575000707 950614293 /nfs/dbraw/zinc/61/42/93/950614293.db2.gz RVHDTPXPAONUHU-JTQLQIEISA-N 1 0 391.838 1.906 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[nH]n3)C2)CC1 ZINC001576208661 950616274 /nfs/dbraw/zinc/61/62/74/950616274.db2.gz ROJNUABXYGVBJC-AWEZNQCLSA-N 1 0 387.463 1.433 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCO1 ZINC001574515675 950628898 /nfs/dbraw/zinc/62/88/98/950628898.db2.gz DKCJAMQEMCHFMP-NKGKWGDASA-N 1 0 384.484 1.809 20 0 GDADRO CC(C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001574174479 950635165 /nfs/dbraw/zinc/63/51/65/950635165.db2.gz ISIIOFXTMNQHPN-UONOGXRCSA-N 1 0 378.502 1.416 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574759602 950643462 /nfs/dbraw/zinc/64/34/62/950643462.db2.gz PIWUQPCDMHSGJC-GFCCVEGCSA-N 1 0 383.460 1.208 20 0 GDADRO C[C@H]1[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575922953 950656516 /nfs/dbraw/zinc/65/65/16/950656516.db2.gz BAUMOVXQQNURKM-STQMWFEESA-N 1 0 387.492 1.036 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccccn1 ZINC001575923508 950662861 /nfs/dbraw/zinc/66/28/61/950662861.db2.gz BSZGZAHYSFHHHE-BBRMVZONSA-N 1 0 378.440 1.113 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccsn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574760822 950681263 /nfs/dbraw/zinc/68/12/63/950681263.db2.gz MDFRXXOWWVWPGW-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576215271 950691711 /nfs/dbraw/zinc/69/17/11/950691711.db2.gz DYBCQCWKJQOYQN-IAQYHMDHSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ncc(F)cc1F ZINC001575926361 950709513 /nfs/dbraw/zinc/70/95/13/950709513.db2.gz JLRTWDHUGCYSKH-ZANVPECISA-N 1 0 386.366 1.072 20 0 GDADRO C[C@@H]1[C@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575926495 950713355 /nfs/dbraw/zinc/71/33/55/950713355.db2.gz XGIFYHGILVWSLQ-TZMCWYRMSA-N 1 0 385.447 1.503 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCc1ccccn1 ZINC001575926601 950715217 /nfs/dbraw/zinc/71/52/17/950715217.db2.gz XVMYSKBKRJJNJN-PBHICJAKSA-N 1 0 392.467 1.503 20 0 GDADRO CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001573879948 950737002 /nfs/dbraw/zinc/73/70/02/950737002.db2.gz PRBWEYOTDGGGKK-NSHDSACASA-N 1 0 382.428 1.296 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@H]2C[C@@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)CC1 ZINC001576216475 950736953 /nfs/dbraw/zinc/73/69/53/950736953.db2.gz ZZHRQQFPGBDKIK-OKILXGFUSA-N 1 0 387.463 1.797 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COCC1CCCC1 ZINC001575927335 950743805 /nfs/dbraw/zinc/74/38/05/950743805.db2.gz PGTSFBHDTSBEDC-CJNGLKHVSA-N 1 0 385.472 1.292 20 0 GDADRO CC(C)OCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574521004 950762724 /nfs/dbraw/zinc/76/27/24/950762724.db2.gz CFWRMNRELNJEEA-CHWSQXEVSA-N 1 0 378.452 1.804 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574764953 950766136 /nfs/dbraw/zinc/76/61/36/950766136.db2.gz AMJGXEDPPJUSHN-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1ccc[nH]1 ZINC001574521508 950780977 /nfs/dbraw/zinc/78/09/77/950780977.db2.gz GKFCVTPGQKJEHC-STQMWFEESA-N 1 0 385.447 1.950 20 0 GDADRO C[C@@H](CN(C)C(=O)c1scnc1C1CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574765439 950787962 /nfs/dbraw/zinc/78/79/62/950787962.db2.gz CIFREHIQBVWUKX-JTQLQIEISA-N 1 0 384.469 1.590 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1cnoc1 ZINC001574522580 950796464 /nfs/dbraw/zinc/79/64/64/950796464.db2.gz KYWSTRVCLPJGCG-NWDGAFQWSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1cccn1 ZINC001574522915 950805051 /nfs/dbraw/zinc/80/50/51/950805051.db2.gz LUTXYBWQHVPMDT-STQMWFEESA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1CCOCC1 ZINC001574523153 950806621 /nfs/dbraw/zinc/80/66/21/950806621.db2.gz MKEGDEDFDBXRPQ-QWHCGFSZSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574766402 950818481 /nfs/dbraw/zinc/81/84/81/950818481.db2.gz JJZXVSNQKYABIN-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CN(C)C(=O)c1coc(C2CC2)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574767336 950845417 /nfs/dbraw/zinc/84/54/17/950845417.db2.gz QPAJIZLXWUEOMB-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO CC1(C)CC(C[NH+]2CCC(CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001575639186 950857795 /nfs/dbraw/zinc/85/77/95/950857795.db2.gz OYAJIBFAYISNNJ-UHFFFAOYSA-N 1 0 387.488 1.188 20 0 GDADRO C[C@@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)CCC[NH+](C)C ZINC001575935076 950874073 /nfs/dbraw/zinc/87/40/73/950874073.db2.gz UZXBBCFHSKDPSL-BXUZGUMPSA-N 1 0 392.895 1.658 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CC1(O)CCC1 ZINC001574524875 950879424 /nfs/dbraw/zinc/87/94/24/950879424.db2.gz ZWGJQOICFLUQMB-STQMWFEESA-N 1 0 390.463 1.684 20 0 GDADRO C[C@@H](CN(C)C(=O)c1n[nH]cc1F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574768632 950893406 /nfs/dbraw/zinc/89/34/06/950893406.db2.gz ZWSGXDZRWAIROZ-VIFPVBQESA-N 1 0 376.371 1.118 20 0 GDADRO C[C@H]1CN(C(=O)C2CCOCC2)CC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576228010 950931670 /nfs/dbraw/zinc/93/16/70/950931670.db2.gz ICAGFKXIIAOQON-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575642004 950933209 /nfs/dbraw/zinc/93/32/09/950933209.db2.gz SLOLSZIGRSPJJJ-CJNGLKHVSA-N 1 0 385.472 1.552 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CO1 ZINC001575936991 950935365 /nfs/dbraw/zinc/93/53/65/950935365.db2.gz BVSXNWCIGVNJOW-QWHCGFSZSA-N 1 0 378.502 1.634 20 0 GDADRO C[C@H](C[N@H+](C)CCOc1ccc(F)cc1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574771919 950946250 /nfs/dbraw/zinc/94/62/50/950946250.db2.gz MWXKLSFSAKENJY-GFCCVEGCSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nn[nH]n2)CCN1C(=O)CC[NH+](C)C ZINC001575937564 950950180 /nfs/dbraw/zinc/95/01/80/950950180.db2.gz KQBMZCVSUVFXHT-BDAKNGLRSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cccnn1 ZINC001574530064 950969779 /nfs/dbraw/zinc/96/97/79/950969779.db2.gz SRMBTRRAJIDJRR-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cccnn1 ZINC001574530062 950969896 /nfs/dbraw/zinc/96/98/96/950969896.db2.gz SRMBTRRAJIDJRR-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnns1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574530516 950981969 /nfs/dbraw/zinc/98/19/69/950981969.db2.gz VDSYUCGUSKGDQT-ZJUUUORDSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001575938758 950993409 /nfs/dbraw/zinc/99/34/09/950993409.db2.gz NCNDNFYSHKRUIB-KGLIPLIRSA-N 1 0 387.488 1.395 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)CCO1 ZINC001575938963 950998323 /nfs/dbraw/zinc/99/83/23/950998323.db2.gz NVZGDZGSIVJLBB-HIFRSBDPSA-N 1 0 390.463 1.711 20 0 GDADRO CC(C)n1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001574530948 951007053 /nfs/dbraw/zinc/00/70/53/951007053.db2.gz DXVFIDJRKLDKAM-RYUDHWBXSA-N 1 0 386.464 1.054 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575022151 951069819 /nfs/dbraw/zinc/06/98/19/951069819.db2.gz HZIXEDLNKNMGGF-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575022154 951071254 /nfs/dbraw/zinc/07/12/54/951071254.db2.gz HZIXEDLNKNMGGF-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Cl)cc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575023304 951078707 /nfs/dbraw/zinc/07/87/07/951078707.db2.gz MNGGBDJFBFJZRB-SECBINFHSA-N 1 0 375.795 1.707 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2n[nH]nc2c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575024446 951103370 /nfs/dbraw/zinc/10/33/70/951103370.db2.gz DWTKKKGVDQZLSN-LBPRGKRZSA-N 1 0 391.439 1.388 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025137 951125165 /nfs/dbraw/zinc/12/51/65/951125165.db2.gz VVKGIVJVVBKMCD-CYBMUJFWSA-N 1 0 380.456 1.228 20 0 GDADRO C[C@H](CNC(=O)c1ccc2n[nH]cc2c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575025174 951128684 /nfs/dbraw/zinc/12/86/84/951128684.db2.gz WTJXSLYNINLMQG-GFCCVEGCSA-N 1 0 376.424 1.651 20 0 GDADRO CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)cc1 ZINC001575025352 951130252 /nfs/dbraw/zinc/13/02/52/951130252.db2.gz YHXVZIIKTZXFCZ-ZDUSSCGKSA-N 1 0 381.440 1.701 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(F)c1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575027700 951163099 /nfs/dbraw/zinc/16/30/99/951163099.db2.gz IDAMKLJKTJRNDS-VIFPVBQESA-N 1 0 375.795 1.707 20 0 GDADRO C[C@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575033816 951230628 /nfs/dbraw/zinc/23/06/28/951230628.db2.gz BUOUOLABBBMXJN-SECBINFHSA-N 1 0 377.861 1.885 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(C2CC2)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575034834 951258464 /nfs/dbraw/zinc/25/84/64/951258464.db2.gz FIIKDLZQGMTUDN-GFCCVEGCSA-N 1 0 378.440 1.442 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H](C)[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001575037896 951313281 /nfs/dbraw/zinc/31/32/81/951313281.db2.gz FCJGISCWFJLWPA-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575039148 951327610 /nfs/dbraw/zinc/32/76/10/951327610.db2.gz NZWKQKRFQYGUTL-LBPRGKRZSA-N 1 0 383.460 1.121 20 0 GDADRO C[C@H](CNC(=O)c1cncnc1C1CC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575045396 951427183 /nfs/dbraw/zinc/42/71/83/951427183.db2.gz BONSBVQTNZDLFM-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(F)c1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575045963 951436110 /nfs/dbraw/zinc/43/61/10/951436110.db2.gz JVUUWIOFGNCVQT-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575052372 951460803 /nfs/dbraw/zinc/46/08/03/951460803.db2.gz HPLIFRVPDSPWRH-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575053654 951480681 /nfs/dbraw/zinc/48/06/81/951480681.db2.gz SXNUUMSGILAFNS-LBPRGKRZSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575054608 951493945 /nfs/dbraw/zinc/49/39/45/951493945.db2.gz YYWUENZDSAQMQA-SECBINFHSA-N 1 0 377.359 1.108 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2c1CCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575055466 951505036 /nfs/dbraw/zinc/50/50/36/951505036.db2.gz VAVRKYDDURPWES-NSHDSACASA-N 1 0 384.419 1.057 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056656 951523012 /nfs/dbraw/zinc/52/30/12/951523012.db2.gz KODIBGYZKOARLY-NSHDSACASA-N 1 0 382.428 1.772 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C2CC2)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575057860 951532788 /nfs/dbraw/zinc/53/27/88/951532788.db2.gz RTSIOWJAGMJILB-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1csc2cncn21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575062415 951568705 /nfs/dbraw/zinc/56/87/05/951568705.db2.gz VVQJBBDEMFUHPB-NSHDSACASA-N 1 0 382.453 1.484 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCC2)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575062518 951570530 /nfs/dbraw/zinc/57/05/30/951570530.db2.gz XEJXLLOFWCDHJP-GFCCVEGCSA-N 1 0 380.456 1.329 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067545 951615503 /nfs/dbraw/zinc/61/55/03/951615503.db2.gz VCBHBAJNPSTEDJ-VIFPVBQESA-N 1 0 377.355 1.700 20 0 GDADRO C[C@H](CNC(=O)c1ncnc2[nH]ccc21)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575068060 951629601 /nfs/dbraw/zinc/62/96/01/951629601.db2.gz WPRPBOFGJGTZIL-GFCCVEGCSA-N 1 0 391.439 1.340 20 0 GDADRO C[C@H](CNC(=O)c1onc2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575070701 951654425 /nfs/dbraw/zinc/65/44/25/951654425.db2.gz UFOZBZCCTFIICF-GFCCVEGCSA-N 1 0 381.440 1.642 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC1(O)CCC1 ZINC001575077190 951663974 /nfs/dbraw/zinc/66/39/74/951663974.db2.gz ABEOFANEIAZMMX-GFCCVEGCSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077288 951666673 /nfs/dbraw/zinc/66/66/73/951666673.db2.gz FCAMWDHVEZKKQR-ICCXJUOJSA-N 1 0 382.390 1.749 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(CO)ccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077549 951670735 /nfs/dbraw/zinc/67/07/35/951670735.db2.gz GNKGHGYLNXDPMS-LLVKDONJSA-N 1 0 387.419 1.077 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077654 951672809 /nfs/dbraw/zinc/67/28/09/951672809.db2.gz HUGABEBAINRZAK-DOMZBBRYSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575077789 951674385 /nfs/dbraw/zinc/67/43/85/951674385.db2.gz HOCJTXYFVQSWKB-BUXKBTBVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](CNC(=O)c1ccsn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077831 951674696 /nfs/dbraw/zinc/67/46/96/951674696.db2.gz IHPWSWIBZMIAEM-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)n1cccn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078061 951676940 /nfs/dbraw/zinc/67/69/40/951676940.db2.gz JQJGDXZUUOEHFP-OLZOCXBDSA-N 1 0 386.435 1.305 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCC1(F)F)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078067 951677540 /nfs/dbraw/zinc/67/75/40/951677540.db2.gz JQQYOMILHJESKP-ZWNOBZJWSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(CO)ccc1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575078537 951682873 /nfs/dbraw/zinc/68/28/73/951682873.db2.gz NCBSTZRKPDNSJF-NSHDSACASA-N 1 0 387.419 1.077 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CCc1ccon1 ZINC001575078961 951686024 /nfs/dbraw/zinc/68/60/24/951686024.db2.gz BRKSEHQHQSVSHW-GFCCVEGCSA-N 1 0 387.419 1.563 20 0 GDADRO C[C@H](CNC(=O)C1CC(F)(F)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079702 951695963 /nfs/dbraw/zinc/69/59/63/951695963.db2.gz NTOCXOXWLJJLBS-JTQLQIEISA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575080689 951712843 /nfs/dbraw/zinc/71/28/43/951712843.db2.gz MQPMCAFLBBPJPG-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575080670 951713339 /nfs/dbraw/zinc/71/33/39/951713339.db2.gz MODGZYZMDYNVEJ-CHWSQXEVSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1cnns1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081138 951719412 /nfs/dbraw/zinc/71/94/12/951719412.db2.gz OONBJCAGUYGRJO-SECBINFHSA-N 1 0 376.421 1.013 20 0 GDADRO C[C@H](CNC(=O)CCc1ccon1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081341 951722580 /nfs/dbraw/zinc/72/25/80/951722580.db2.gz TWWVAIKMDNTFAR-LBPRGKRZSA-N 1 0 387.419 1.469 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575088848 951742402 /nfs/dbraw/zinc/74/24/02/951742402.db2.gz BYTNGKLRCGOWHO-OXJNMPFZSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1cnccn1)C1CC1 ZINC001575089376 951748398 /nfs/dbraw/zinc/74/83/98/951748398.db2.gz GWXZBENWESZWCZ-LJQANCHMSA-N 1 0 378.440 1.345 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1ccncn1)C1CC1 ZINC001575089364 951749658 /nfs/dbraw/zinc/74/96/58/951749658.db2.gz GSBIHRXRZLQDGZ-LJQANCHMSA-N 1 0 378.440 1.345 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001575090110 951757528 /nfs/dbraw/zinc/75/75/28/951757528.db2.gz JOEJQDJCWHEYRC-KRWDZBQOSA-N 1 0 386.485 1.199 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ccc(F)cn1 ZINC001575090265 951758873 /nfs/dbraw/zinc/75/88/73/951758873.db2.gz KFRAAGJBZJAZKC-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575090281 951760727 /nfs/dbraw/zinc/76/07/27/951760727.db2.gz KGKBZFDSRDYIEF-KPZWWZAWSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575090911 951764913 /nfs/dbraw/zinc/76/49/13/951764913.db2.gz NYFZTWSURQQBAM-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)[C@]1(C)CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090899 951765338 /nfs/dbraw/zinc/76/53/38/951765338.db2.gz NUWGLBACABKRHR-ORAYPTAESA-N 1 0 390.463 1.664 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001575090957 951766970 /nfs/dbraw/zinc/76/69/70/951766970.db2.gz LZEDQQUTSCECGG-FXAWDEMLSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](CNC(=O)CC[C@@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091582 951778720 /nfs/dbraw/zinc/77/87/20/951778720.db2.gz VQZDOUUZKBFQDU-CJNGLKHVSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1CCOCC1 ZINC001575091782 951783432 /nfs/dbraw/zinc/78/34/32/951783432.db2.gz YAJUGKJIURAPLD-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092195 951791391 /nfs/dbraw/zinc/79/13/91/951791391.db2.gz AUQIRNJRMJDAAT-CYBMUJFWSA-N 1 0 392.467 1.690 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCCn1cccn1 ZINC001575092278 951793198 /nfs/dbraw/zinc/79/31/98/951793198.db2.gz BSPIPFHZTBJLHE-OAHLLOKOSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001575093028 951796177 /nfs/dbraw/zinc/79/61/77/951796177.db2.gz HEISEDKIADVDML-YOEHRIQHSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1Cl)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095068 951808489 /nfs/dbraw/zinc/80/84/89/951808489.db2.gz QRDBDTOJTLDEQL-LLVKDONJSA-N 1 0 388.863 1.409 20 0 GDADRO C[C@H](CNC(=O)c1cnc(Cl)n1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095075 951809624 /nfs/dbraw/zinc/80/96/24/951809624.db2.gz QUQRQPZZYCQQPV-NSHDSACASA-N 1 0 388.863 1.409 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnc(C2CC2)o1 ZINC001575095561 951812215 /nfs/dbraw/zinc/81/22/15/951812215.db2.gz VHNMGGHNYLRWRV-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)CCc1ncccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098480 951823097 /nfs/dbraw/zinc/82/30/97/951823097.db2.gz DOJLIWQUZVWLOS-LBPRGKRZSA-N 1 0 386.485 1.193 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098755 951825182 /nfs/dbraw/zinc/82/51/82/951825182.db2.gz GHQLYOOQFBHJED-LLVKDONJSA-N 1 0 386.485 1.227 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098756 951826626 /nfs/dbraw/zinc/82/66/26/951826626.db2.gz GHQLYOOQFBHJED-NSHDSACASA-N 1 0 386.485 1.227 20 0 GDADRO C[C@H](CNC(=O)c1cnn2cc[nH]c12)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099246 951830542 /nfs/dbraw/zinc/83/05/42/951830542.db2.gz JGXIHIGKDRGTDN-JTQLQIEISA-N 1 0 385.457 1.060 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CC1CCOCC1 ZINC001575099867 951839709 /nfs/dbraw/zinc/83/97/09/951839709.db2.gz PQOKBJUSYYSDJB-GFCCVEGCSA-N 1 0 378.502 1.681 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC001575100099 951842153 /nfs/dbraw/zinc/84/21/53/951842153.db2.gz QQQBCSIQCKNNOR-LBPRGKRZSA-N 1 0 388.501 1.861 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C1CCOCC1 ZINC001575101130 951854440 /nfs/dbraw/zinc/85/44/40/951854440.db2.gz AAWZQRRNBBKPMB-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575101173 951855987 /nfs/dbraw/zinc/85/59/87/951855987.db2.gz AOMPWKMMFCQQRF-TWJWRFFLSA-N 1 0 390.513 1.680 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCC1(F)F)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101466 951859550 /nfs/dbraw/zinc/85/95/50/951859550.db2.gz FDQAMDNGFUNWSJ-GWCFXTLKSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)(NC(=O)c1cnco1)C1CC1 ZINC001575102407 951868022 /nfs/dbraw/zinc/86/80/22/951868022.db2.gz MRXCOPCQFKEIOY-GOSISDBHSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575104331 951884773 /nfs/dbraw/zinc/88/47/73/951884773.db2.gz ZPUBZIRIOYLFIK-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001575104555 951888245 /nfs/dbraw/zinc/88/82/45/951888245.db2.gz DTZMQOGXKVFRGU-CYBMUJFWSA-N 1 0 379.468 1.839 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001575106129 951902766 /nfs/dbraw/zinc/90/27/66/951902766.db2.gz QDYOUFJHSIRNTA-IBGZPJMESA-N 1 0 380.456 1.207 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001575106158 951903065 /nfs/dbraw/zinc/90/30/65/951903065.db2.gz QNGAGPWLLXPPSL-SECBINFHSA-N 1 0 391.432 1.418 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1ccnnc1)C1CC1 ZINC001575106565 951905090 /nfs/dbraw/zinc/90/50/90/951905090.db2.gz SHHJYJDZKWJBGG-IBGZPJMESA-N 1 0 378.440 1.345 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1ccc(F)c(F)c1 ZINC001575106547 951905108 /nfs/dbraw/zinc/90/51/08/951905108.db2.gz RZAAWLJYAQKDPG-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@H](CNC(=O)CCc1cnccn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106857 951910305 /nfs/dbraw/zinc/91/03/05/951910305.db2.gz VTZHIIIKYZVULT-AWEZNQCLSA-N 1 0 380.456 1.131 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1ccccn1 ZINC001575107302 951917704 /nfs/dbraw/zinc/91/77/04/951917704.db2.gz BXAMQYBWOLJDGI-HNNXBMFYSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575108373 951924948 /nfs/dbraw/zinc/92/49/48/951924948.db2.gz LUMUOPDOZHDWED-KBXCAEBGSA-N 1 0 391.479 1.613 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109254 951929399 /nfs/dbraw/zinc/92/93/99/951929399.db2.gz QLQRMFOVCXELPB-XDKFSHSGSA-N 1 0 384.484 1.524 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001575113736 951945198 /nfs/dbraw/zinc/94/51/98/951945198.db2.gz FCPQSTZLQNOMEM-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114027 951950651 /nfs/dbraw/zinc/95/06/51/951950651.db2.gz KVRCIJJVMLBRFQ-UONOGXRCSA-N 1 0 382.472 1.311 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114747 951958533 /nfs/dbraw/zinc/95/85/33/951958533.db2.gz RZSDGKPYLZEVQE-LTUQZUHASA-N 1 0 382.468 1.132 20 0 GDADRO C[C@H](CNC(=O)c1cc2c[nH]ccc-2n1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115568 951966681 /nfs/dbraw/zinc/96/66/81/951966681.db2.gz YHHVHLLBHAKEIK-ZDUSSCGKSA-N 1 0 390.451 1.899 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cn1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115831 951968399 /nfs/dbraw/zinc/96/83/99/951968399.db2.gz ZLIBSTCSLMXTDD-CYBMUJFWSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575143622 952154566 /nfs/dbraw/zinc/15/45/66/952154566.db2.gz BRHPWSXKZDEXMP-GOSISDBHSA-N 1 0 382.403 1.228 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575143699 952156691 /nfs/dbraw/zinc/15/66/91/952156691.db2.gz CCXZAGZLDXGDTI-AUUYWEPGSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575145051 952177358 /nfs/dbraw/zinc/17/73/58/952177358.db2.gz OSFRGTYICCTSQU-ORAYPTAESA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CCc1cccnc1)C1CC1 ZINC001575145515 952185397 /nfs/dbraw/zinc/18/53/97/952185397.db2.gz ZBIHCOOINOKRRO-FQEVSTJZSA-N 1 0 392.467 1.408 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575146647 952195585 /nfs/dbraw/zinc/19/55/85/952195585.db2.gz MQTQKBKSVYWBCA-SNVBAGLBSA-N 1 0 388.382 1.589 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001575163558 952280030 /nfs/dbraw/zinc/28/00/30/952280030.db2.gz DCDIZRQLTHAEBF-SMDDNHRTSA-N 1 0 376.440 1.144 20 0 GDADRO O=C(C1Cc2ccccc2C1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571117147 952479786 /nfs/dbraw/zinc/47/97/86/952479786.db2.gz HEXDVVOHAMBARJ-MRXNPFEDSA-N 1 0 375.436 1.111 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)c1cc(F)c[nH]1 ZINC001571118644 952489304 /nfs/dbraw/zinc/48/93/04/952489304.db2.gz YAUBKVQYONEWQV-NSHDSACASA-N 1 0 375.433 1.790 20 0 GDADRO Cc1cc(C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)ccn1 ZINC001571119391 952490932 /nfs/dbraw/zinc/49/09/32/952490932.db2.gz APZRXNPAASLBSS-GASCZTMLSA-N 1 0 376.424 1.174 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575200614 952496352 /nfs/dbraw/zinc/49/63/52/952496352.db2.gz DJJYVMHVMZBMEK-AWEZNQCLSA-N 1 0 382.472 1.359 20 0 GDADRO O=C(C(F)F)N1CCC[C@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571120105 952499254 /nfs/dbraw/zinc/49/92/54/952499254.db2.gz JJRRNCVQAKDIIG-GOSISDBHSA-N 1 0 376.411 1.946 20 0 GDADRO O=C(C(F)F)N1CCC2(C1)CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2 ZINC001571120714 952506867 /nfs/dbraw/zinc/50/68/67/952506867.db2.gz PSCRRLPTBJVXIV-UHFFFAOYSA-N 1 0 376.411 1.946 20 0 GDADRO O=C(N[C@@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2)c1cccnc1 ZINC001571120903 952511384 /nfs/dbraw/zinc/51/13/84/952511384.db2.gz SXWKDYISQZLEEJ-MRXNPFEDSA-N 1 0 376.424 1.446 20 0 GDADRO CO[C@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571121673 952520480 /nfs/dbraw/zinc/52/04/80/952520480.db2.gz BKAYZWKDICXXDI-TZMCWYRMSA-N 1 0 376.436 1.511 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571121903 952521608 /nfs/dbraw/zinc/52/16/08/952521608.db2.gz DNZNDANNKITGAV-GDBMZVCRSA-N 1 0 376.436 1.511 20 0 GDADRO CO[C@@H](C)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2 ZINC001571122831 952526433 /nfs/dbraw/zinc/52/64/33/952526433.db2.gz MEBVUDBSAPZVJU-LBPRGKRZSA-N 1 0 376.486 1.388 20 0 GDADRO CCc1nc(-c2nn[nH]n2)cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC001571123131 952528871 /nfs/dbraw/zinc/52/88/71/952528871.db2.gz PWWGMLJJSZNFMF-WBVHZDCISA-N 1 0 376.468 1.930 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571124120 952533671 /nfs/dbraw/zinc/53/36/71/952533671.db2.gz ZHIDAIUIFJPWII-CHWSQXEVSA-N 1 0 376.486 1.435 20 0 GDADRO CC(F)(F)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1F)C2 ZINC001575208017 952538337 /nfs/dbraw/zinc/53/83/37/952538337.db2.gz ZASYCNAYXHFJGW-UHFFFAOYSA-N 1 0 380.374 1.695 20 0 GDADRO O=C([C@H]1CCCCC1(F)F)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571124708 952543069 /nfs/dbraw/zinc/54/30/69/952543069.db2.gz RQWCBXCDIMAKFW-WCQYABFASA-N 1 0 377.399 1.522 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cc1cccnc1 ZINC001571127106 952550021 /nfs/dbraw/zinc/55/00/21/952550021.db2.gz GDSJCNCQFVJHHG-KSSFIOAISA-N 1 0 377.452 1.583 20 0 GDADRO O=C(NC[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571127246 952552631 /nfs/dbraw/zinc/55/26/31/952552631.db2.gz CBGUCMDMNMXWDR-IEXSPKMKSA-N 1 0 377.452 1.960 20 0 GDADRO Cc1ccncc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571128101 952563252 /nfs/dbraw/zinc/56/32/52/952563252.db2.gz PMOBXUIANPJMJM-QGZVFWFLSA-N 1 0 377.452 1.503 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571128093 952563824 /nfs/dbraw/zinc/56/38/24/952563824.db2.gz PBYPYSHRSMXGNS-INIZCTEOSA-N 1 0 377.452 1.688 20 0 GDADRO Cc1cccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571128953 952571812 /nfs/dbraw/zinc/57/18/12/952571812.db2.gz ZOOOIVBNFQIMMH-ACJLOTCBSA-N 1 0 377.452 1.820 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2ccccn2)CCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571134618 952593094 /nfs/dbraw/zinc/59/30/94/952593094.db2.gz IFMKPDNZZAYQDG-GOEBONIOSA-N 1 0 378.440 1.752 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cncnc1 ZINC001571134702 952594210 /nfs/dbraw/zinc/59/42/10/952594210.db2.gz JVKPYNIBRHSVMF-SUMWQHHRSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccn1 ZINC001571135099 952599668 /nfs/dbraw/zinc/59/96/68/952599668.db2.gz PEYAASXIZODQMV-BBRMVZONSA-N 1 0 378.440 1.440 20 0 GDADRO Cc1nccc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571135112 952599797 /nfs/dbraw/zinc/59/97/97/952599797.db2.gz RUKBFIOGWIKDTF-HNNXBMFYSA-N 1 0 378.440 1.360 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)nn1 ZINC001571135097 952599871 /nfs/dbraw/zinc/59/98/71/952599871.db2.gz PELNKPGHCZJFDN-INIZCTEOSA-N 1 0 378.440 1.278 20 0 GDADRO O=C(Cc1ccco1)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571135753 952608273 /nfs/dbraw/zinc/60/82/73/952608273.db2.gz CQHPQAUZVUMUPG-MAUKXSAKSA-N 1 0 378.436 1.735 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC001571136799 952616077 /nfs/dbraw/zinc/61/60/77/952616077.db2.gz WHHIEWINKKOQFJ-INIZCTEOSA-N 1 0 378.436 1.880 20 0 GDADRO Cc1nnccc1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571140466 952626022 /nfs/dbraw/zinc/62/60/22/952626022.db2.gz AAZPQWZYLAVXFU-HNNXBMFYSA-N 1 0 378.440 1.217 20 0 GDADRO O=C(Cc1ccon1)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571140849 952629485 /nfs/dbraw/zinc/62/94/85/952629485.db2.gz HLDHUPFHXJMJCM-WMLDXEAASA-N 1 0 379.424 1.130 20 0 GDADRO Cc1ncccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001571140981 952629735 /nfs/dbraw/zinc/62/97/35/952629735.db2.gz DNIVGZORJCHDPV-WMLDXEAASA-N 1 0 378.440 1.245 20 0 GDADRO Cc1ncncc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571141604 952635306 /nfs/dbraw/zinc/63/53/06/952635306.db2.gz IZDLVXZZRKBLPE-MRXNPFEDSA-N 1 0 378.440 1.312 20 0 GDADRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)ccn1 ZINC001571142166 952639186 /nfs/dbraw/zinc/63/91/86/952639186.db2.gz QJXRGTAVVQBJGC-SHTZXODSSA-N 1 0 379.424 1.321 20 0 GDADRO CC[C@@H](C(=O)N1CCC(Nc2snc(C)c2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001571142291 952639851 /nfs/dbraw/zinc/63/98/51/952639851.db2.gz OJJOTVAUWLXHNB-LBPRGKRZSA-N 1 0 378.506 1.375 20 0 GDADRO Cc1nnccc1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571142477 952641752 /nfs/dbraw/zinc/64/17/52/952641752.db2.gz QUIZEUJISNEZHP-OAHLLOKOSA-N 1 0 378.440 1.217 20 0 GDADRO O=C(c1cncnc1)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571142677 952645102 /nfs/dbraw/zinc/64/51/02/952645102.db2.gz VDSJYHHKNOSWNJ-OAHLLOKOSA-N 1 0 378.440 1.299 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cc[nH]c(=O)c1 ZINC001571148223 952666153 /nfs/dbraw/zinc/66/61/53/952666153.db2.gz VWDGXYHRYYYOMB-MRXNPFEDSA-N 1 0 379.424 1.362 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571151638 952676862 /nfs/dbraw/zinc/67/68/62/952676862.db2.gz SIJBGDXOEWNEKM-DOTOQJQBSA-N 1 0 379.468 1.926 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571151698 952678398 /nfs/dbraw/zinc/67/83/98/952678398.db2.gz 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GDADRO Cc1cc(N[C@H]2C[C@H](NC(=O)c3ncoc3C3CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571158649 952713389 /nfs/dbraw/zinc/71/33/89/952713389.db2.gz LNNCLGALSIGPQZ-HAQNSBGRSA-N 1 0 380.412 1.230 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001571165256 952750049 /nfs/dbraw/zinc/75/00/49/952750049.db2.gz ABTMVNAWTHUCEU-HNNXBMFYSA-N 1 0 380.456 1.718 20 0 GDADRO Cc1ccc(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)cc1-c1nn[nH]n1 ZINC001571165677 952753037 /nfs/dbraw/zinc/75/30/37/952753037.db2.gz HLGLNXKVWPZABV-QGZVFWFLSA-N 1 0 380.427 1.971 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cc2c[nH]cn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165607 952753354 /nfs/dbraw/zinc/75/33/54/952753354.db2.gz GVKKQUMHXAKSAA-SUMWQHHRSA-N 1 0 380.456 1.302 20 0 GDADRO CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)nn1C ZINC001571165688 952753816 /nfs/dbraw/zinc/75/38/16/952753816.db2.gz HMVOQAHSPXEPQD-AWEZNQCLSA-N 1 0 380.456 1.167 20 0 GDADRO 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C[C@@H]([NH2+]Cc1cccnc1)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571167218 952771735 /nfs/dbraw/zinc/77/17/35/952771735.db2.gz YSYRXJNSAKOJFW-DYVFJYSZSA-N 1 0 380.456 1.763 20 0 GDADRO CCc1nc[nH]c1C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571167183 952771917 /nfs/dbraw/zinc/77/19/17/952771917.db2.gz XQWWXACEPWLHJE-UHFFFAOYSA-N 1 0 380.456 1.547 20 0 GDADRO Cc1ncc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571169372 952772819 /nfs/dbraw/zinc/77/28/19/952772819.db2.gz AUGKADNZIGBIDS-MLGOLLRUSA-N 1 0 380.456 1.681 20 0 GDADRO CCn1nccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169339 952773049 /nfs/dbraw/zinc/77/30/49/952773049.db2.gz ABKITKUUQDONRY-MRXNPFEDSA-N 1 0 380.456 1.478 20 0 GDADRO CCn1ccc(C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC001571169546 952774697 /nfs/dbraw/zinc/77/46/97/952774697.db2.gz GPKPRVCOJFTKDL-UHFFFAOYSA-N 1 0 380.456 1.478 20 0 GDADRO 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/nfs/dbraw/zinc/85/20/44/952852044.db2.gz BMQYGYNKTZKOSV-KRWDZBQOSA-N 1 0 381.440 1.568 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@H]2C)o1 ZINC001571179392 952852947 /nfs/dbraw/zinc/85/29/47/952852947.db2.gz CZYMHPDOIRXGLI-PXAZEXFGSA-N 1 0 381.440 1.485 20 0 GDADRO Cc1ncc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC001571179477 952853343 /nfs/dbraw/zinc/85/33/43/952853343.db2.gz FBGNRPJXOALXHZ-SJKOYZFVSA-N 1 0 381.440 1.342 20 0 GDADRO Cc1nocc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571180463 952860502 /nfs/dbraw/zinc/86/05/02/952860502.db2.gz OUIQJIABSRIWGN-WBMJQRKESA-N 1 0 381.440 1.946 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571181721 952864122 /nfs/dbraw/zinc/86/41/22/952864122.db2.gz XKRQQOBXKIBOEW-RHSMWYFYSA-N 1 0 381.440 1.123 20 0 GDADRO COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571182690 952867376 /nfs/dbraw/zinc/86/73/76/952867376.db2.gz 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Cc1ncc(C(=O)N[C@H]2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)[nH]1 ZINC001571188989 952922754 /nfs/dbraw/zinc/92/27/54/952922754.db2.gz LJTUYYQEYBRHHO-JOCQHMNTSA-N 1 0 381.444 1.116 20 0 GDADRO Cc1cnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nc1 ZINC001571189525 952931065 /nfs/dbraw/zinc/93/10/65/952931065.db2.gz WUILQGDCGIKLBM-KGLIPLIRSA-N 1 0 381.444 1.124 20 0 GDADRO Cc1cc(N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C(C)C)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189987 952939032 /nfs/dbraw/zinc/93/90/32/952939032.db2.gz BRKLRGCXYHFYCJ-XUWVNRHRSA-N 1 0 381.484 1.757 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cccnn1 ZINC001571195486 952976844 /nfs/dbraw/zinc/97/68/44/952976844.db2.gz ANXULAFLGPJLDX-IAQYHMDHSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001571196018 952979348 /nfs/dbraw/zinc/97/93/48/952979348.db2.gz GPIATAOKLQJIQD-NEPJUHHUSA-N 1 0 382.403 1.180 20 0 GDADRO O=C(c1ccco1)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571200755 953011987 /nfs/dbraw/zinc/01/19/87/953011987.db2.gz LJQQYWAETAQAOH-MRXNPFEDSA-N 1 0 382.424 1.481 20 0 GDADRO Cc1nc(C)c(C(=O)N2CCC[C@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)o1 ZINC001571201074 953014119 /nfs/dbraw/zinc/01/41/19/953014119.db2.gz JHFWZDHHEUFMOB-ZDUSSCGKSA-N 1 0 382.428 1.314 20 0 GDADRO Cc1nonc1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571204705 953033039 /nfs/dbraw/zinc/03/30/39/953033039.db2.gz CHABPVIRDGJRQV-HNNXBMFYSA-N 1 0 382.428 1.343 20 0 GDADRO Cc1nocc1C[N@@H+]1CC[C@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@@H]12 ZINC001571207057 953058964 /nfs/dbraw/zinc/05/89/64/953058964.db2.gz VMXMIVZQXMCIAI-CRAIPNDOSA-N 1 0 382.428 1.418 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1C[C@@H]1C(F)F ZINC001571209651 953065890 /nfs/dbraw/zinc/06/58/90/953065890.db2.gz AIPTVRDHLDFZCZ-ZIUMLUTBSA-N 1 0 382.440 1.814 20 0 GDADRO C[C@]12CN(C(=O)[C@@H]3CCCO3)C[C@H]1C[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571209718 953066741 /nfs/dbraw/zinc/06/67/41/953066741.db2.gz BPOUHQJTJYOUJA-SYNHAJSKSA-N 1 0 382.468 1.326 20 0 GDADRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)CCOCC1 ZINC001571209885 953068465 /nfs/dbraw/zinc/06/84/65/953068465.db2.gz HUPWVOLLSNFNEG-FVQHAEBGSA-N 1 0 382.468 1.230 20 0 GDADRO O=C([C@H]1CCOC1)N1CC[C@@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571209889 953068857 /nfs/dbraw/zinc/06/88/57/953068857.db2.gz HVFARUKSPCMYGE-FXAWDEMLSA-N 1 0 382.468 1.328 20 0 GDADRO C[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571209942 953069661 /nfs/dbraw/zinc/06/96/61/953069661.db2.gz JSBRYCLEENQINH-IDTSGUGQSA-N 1 0 382.468 1.086 20 0 GDADRO C[C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210174 953070892 /nfs/dbraw/zinc/07/08/92/953070892.db2.gz NNDWSPPBQVPTRX-RDTXWAMCSA-N 1 0 382.468 1.398 20 0 GDADRO C[C@@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571210356 953071102 /nfs/dbraw/zinc/07/11/02/953071102.db2.gz PRKIAOTYJSACPI-CUWKQTPXSA-N 1 0 382.468 1.228 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC12CCOCC2 ZINC001571210844 953075686 /nfs/dbraw/zinc/07/56/86/953075686.db2.gz YCXFNWPWCRVECU-RDJZCZTQSA-N 1 0 382.468 1.374 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1ccc(=O)[nH]c1 ZINC001571218520 953116212 /nfs/dbraw/zinc/11/62/12/953116212.db2.gz WMOIGZMGISBRNK-CQSZACIVSA-N 1 0 383.387 1.111 20 0 GDADRO Cc1[nH]ccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571229374 953169281 /nfs/dbraw/zinc/16/92/81/953169281.db2.gz CYRYMJJWBHNLJZ-PIGZYNQJSA-N 1 0 383.431 1.893 20 0 GDADRO Cc1c[nH]cc1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571229356 953169450 /nfs/dbraw/zinc/16/94/50/953169450.db2.gz CSTYIYNPMUZZFZ-YVEFUNNKSA-N 1 0 383.431 1.893 20 0 GDADRO O=C(Cc1ccc[nH]1)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571230144 953174689 /nfs/dbraw/zinc/17/46/89/953174689.db2.gz SHMOSAXGWRFVKK-YGUOUDRMSA-N 1 0 383.431 1.561 20 0 GDADRO O=C(C[C@H]1CCOC1)N[C@@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001571232721 953188660 /nfs/dbraw/zinc/18/86/60/953188660.db2.gz JWXBHNFGJGYQPC-CZUORRHYSA-N 1 0 383.456 1.163 20 0 GDADRO Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@]2(C)CCCOC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233369 953192360 /nfs/dbraw/zinc/19/23/60/953192360.db2.gz SZNROGDXZNNRJC-CKFHNAJUSA-N 1 0 383.456 1.176 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C)n1 ZINC001571233664 953194623 /nfs/dbraw/zinc/19/46/23/953194623.db2.gz ZTZFXUDBDNDEHR-IUODEOHRSA-N 1 0 383.460 1.365 20 0 GDADRO CN(C(=O)Cc1cncs1)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571233814 953196161 /nfs/dbraw/zinc/19/61/61/953196161.db2.gz FBRHTHYNOMKCKX-OAHLLOKOSA-N 1 0 383.481 1.599 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2C)cn1 ZINC001571233923 953196647 /nfs/dbraw/zinc/19/66/47/953196647.db2.gz IFCMWVVCSKSFBJ-IAQYHMDHSA-N 1 0 383.481 1.882 20 0 GDADRO Cc1ccc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001571234241 953199676 /nfs/dbraw/zinc/19/96/76/953199676.db2.gz QOCPYUWCRUTDTC-CQSZACIVSA-N 1 0 383.481 1.565 20 0 GDADRO CC1(C)CN(C(=O)c2ccsn2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571234423 953202252 /nfs/dbraw/zinc/20/22/52/953202252.db2.gz XBHQLBNFXARPND-HNNXBMFYSA-N 1 0 383.481 1.964 20 0 GDADRO CCN(C(=O)c1ncc[nH]1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239238 953237044 /nfs/dbraw/zinc/23/70/44/953237044.db2.gz IFXDWORGMPLISF-CQSZACIVSA-N 1 0 384.419 1.466 20 0 GDADRO Cc1[nH]nc(C(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)c1C ZINC001571239418 953238841 /nfs/dbraw/zinc/23/88/41/953238841.db2.gz LDIWXLYJULVMSE-AWEZNQCLSA-N 1 0 384.419 1.350 20 0 GDADRO O=C(Cc1ccoc1)N1CCC[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571240007 953245720 /nfs/dbraw/zinc/24/57/20/953245720.db2.gz XEWFILWYCDVOAU-INIZCTEOSA-N 1 0 384.415 1.922 20 0 GDADRO Cc1ncn(C)c1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571241569 953247341 /nfs/dbraw/zinc/24/73/41/953247341.db2.gz DQIUQJJESCSOLR-AWEZNQCLSA-N 1 0 384.419 1.052 20 0 GDADRO Cc1nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)c[nH]1 ZINC001571241847 953250197 /nfs/dbraw/zinc/25/01/97/953250197.db2.gz NCGMPTHEPJBFIY-CQSZACIVSA-N 1 0 384.419 1.384 20 0 GDADRO Cn1cncc1C(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571241966 953251270 /nfs/dbraw/zinc/25/12/70/953251270.db2.gz REXVJRPCSOWFJS-UHFFFAOYSA-N 1 0 384.419 1.038 20 0 GDADRO CCCc1nc(C)c(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571242058 953253024 /nfs/dbraw/zinc/25/30/24/953253024.db2.gz AJYBMGCEPPTENI-ZDUSSCGKSA-N 1 0 384.444 1.448 20 0 GDADRO CCc1noc(C)c1C[NH2+]CC1CC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571242854 953259899 /nfs/dbraw/zinc/25/98/99/953259899.db2.gz PMHYNORDYNLFIK-UHFFFAOYSA-N 1 0 384.444 1.352 20 0 GDADRO CCc1nocc1C[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571242878 953261328 /nfs/dbraw/zinc/26/13/28/953261328.db2.gz QFYYUUWMGZRDRZ-AWEZNQCLSA-N 1 0 384.444 1.530 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)Cc3cscn3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571244656 953265760 /nfs/dbraw/zinc/26/57/60/953265760.db2.gz DCZGIAYUBAIXHN-BXUZGUMPSA-N 1 0 384.469 1.093 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571245731 953276319 /nfs/dbraw/zinc/27/63/19/953276319.db2.gz LHWYWIBGPCBBDJ-JGDVQOIXSA-N 1 0 384.459 1.988 20 0 GDADRO CCc1ncc(C(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)s1 ZINC001571245756 953277303 /nfs/dbraw/zinc/27/73/03/953277303.db2.gz YTQRVTYHXUHVJU-UHFFFAOYSA-N 1 0 384.469 1.679 20 0 GDADRO CO[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)CC1CCCC1 ZINC001571247727 953285457 /nfs/dbraw/zinc/28/54/57/953285457.db2.gz CKMTZMKPSQRNSC-QZTJIDSGSA-N 1 0 384.484 1.762 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571247792 953286592 /nfs/dbraw/zinc/28/65/92/953286592.db2.gz FARXOLLTBWJLJB-NUJGCVRESA-N 1 0 384.484 1.620 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001571247978 953288047 /nfs/dbraw/zinc/28/80/47/953288047.db2.gz KHGIDLLLIRYDEF-XOKHGSTOSA-N 1 0 384.484 1.954 20 0 GDADRO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001571247998 953289061 /nfs/dbraw/zinc/28/90/61/953289061.db2.gz KTHWKAHGQNXLCH-VDHUWJSZSA-N 1 0 384.484 1.210 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)C)[C@@H]2C1 ZINC001571248153 953290126 /nfs/dbraw/zinc/29/01/26/953290126.db2.gz MKCPIJHBKAUKCF-NVXWUHKLSA-N 1 0 384.484 1.954 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnsn1 ZINC001571248693 953295750 /nfs/dbraw/zinc/29/57/50/953295750.db2.gz XSITYPWRRCUZPX-UONOGXRCSA-N 1 0 384.469 1.549 20 0 GDADRO COC1CC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571248652 953296369 /nfs/dbraw/zinc/29/63/69/953296369.db2.gz WZMMZMHHOXOCKL-FQXVJMBOSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3ncccc3-c3nn[nH]n3)C2)C1 ZINC001571249017 953299370 /nfs/dbraw/zinc/29/93/70/953299370.db2.gz AVUKGGZISVOYHC-LSDHHAIUSA-N 1 0 384.488 1.031 20 0 GDADRO O=C(C[C@H]1CCCCO1)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571249008 953299750 /nfs/dbraw/zinc/29/97/50/953299750.db2.gz AUXFCNOZRFTNIQ-DLBZAZTESA-N 1 0 384.484 1.907 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571249275 953302676 /nfs/dbraw/zinc/30/26/76/953302676.db2.gz HGDYRDGUUULNRE-PBHICJAKSA-N 1 0 384.484 1.762 20 0 GDADRO O=C(CC[C@H]1CCOC1)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571249241 953302841 /nfs/dbraw/zinc/30/28/41/953302841.db2.gz GOYUPUIAGJQSFO-MAUKXSAKSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(C[C@H]1CCCOC1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571249638 953306333 /nfs/dbraw/zinc/30/63/33/953306333.db2.gz KAMNTEINIRFRPD-IAGOWNOFSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001571249919 953307885 /nfs/dbraw/zinc/30/78/85/953307885.db2.gz MTCSRQMRXPVJNU-DZGCQCFKSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2CCCOCC2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571250202 953309275 /nfs/dbraw/zinc/30/92/75/953309275.db2.gz OGKZBFWHMSHNKW-QGPMSJSTSA-N 1 0 384.484 1.620 20 0 GDADRO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)no1 ZINC001571250300 953309809 /nfs/dbraw/zinc/30/98/09/953309809.db2.gz QLPVOSQNCGZVNS-QWHCGFSZSA-N 1 0 384.444 1.522 20 0 GDADRO O=C(C[C@@H]1CCCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571250276 953310157 /nfs/dbraw/zinc/31/01/57/953310157.db2.gz PWVSDFKOUCCSND-FUHWJXTLSA-N 1 0 384.484 1.764 20 0 GDADRO Cc1nc(N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)ccc1-c1nn[nH]n1 ZINC001571252298 953326766 /nfs/dbraw/zinc/32/67/66/953326766.db2.gz KDOFOUZUCZMCSZ-GOEBONIOSA-N 1 0 384.488 1.456 20 0 GDADRO Cc1conc1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571253960 953335655 /nfs/dbraw/zinc/33/56/55/953335655.db2.gz CBKTYCDWXAUOQN-UHFFFAOYSA-N 1 0 385.403 1.600 20 0 GDADRO Cc1conc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571254309 953337989 /nfs/dbraw/zinc/33/79/89/953337989.db2.gz FTCIVTSQBPTTRC-ZDUSSCGKSA-N 1 0 385.403 1.554 20 0 GDADRO CN(C(=O)Cc1cnoc1)[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571254597 953340387 /nfs/dbraw/zinc/34/03/87/953340387.db2.gz HGZURLZMNOUUDY-AWEZNQCLSA-N 1 0 385.403 1.269 20 0 GDADRO Cc1ocnc1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571255172 953345873 /nfs/dbraw/zinc/34/58/73/953345873.db2.gz LZGRIAOZMYDTHJ-ZDUSSCGKSA-N 1 0 385.403 1.554 20 0 GDADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001119100070 957185132 /nfs/dbraw/zinc/18/51/32/957185132.db2.gz FQRIUKUMNWGPOM-QGZVFWFLSA-N 1 0 378.473 1.146 20 0 GDADRO C[NH+](C)C[C@@H]1CN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C[C@H]1C[NH+](C)C ZINC001604075008 972468557 /nfs/dbraw/zinc/46/85/57/972468557.db2.gz SQNWTGVHVTZPFI-RCCFBDPRSA-N 1 0 392.544 1.752 20 0 GDADRO C[C@@H](CCNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)[NH+](C)Cc1ccccc1 ZINC001592513438 978346838 /nfs/dbraw/zinc/34/68/38/978346838.db2.gz PSEUMWDLPOIAOR-WMZOPIPTSA-N 1 0 376.501 1.555 20 0 GDADRO CCc1[nH]c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)c1C(=O)[O-] ZINC001597368419 987548969 /nfs/dbraw/zinc/54/89/69/987548969.db2.gz SJVVVTILWMVWTH-UHFFFAOYSA-N 1 0 399.495 1.921 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)O[C@H]1C(=O)[O-] ZINC001599870867 989347849 /nfs/dbraw/zinc/34/78/49/989347849.db2.gz KXXVMMFIFOGQJF-RSRPTUBKSA-N 1 0 395.544 1.660 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC001598190796 990779160 /nfs/dbraw/zinc/77/91/60/990779160.db2.gz LMXHYDMTHABDOA-VQIMIIECSA-N 1 0 388.512 1.952 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cnc(C(=O)[O-])cn2)CC1 ZINC001598199556 990808221 /nfs/dbraw/zinc/80/82/21/990808221.db2.gz KJVUPJQWECKGQJ-UHFFFAOYSA-N 1 0 377.489 1.091 20 0 GDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)C[C@H]1C[NH+](C)C ZINC001598246677 991007631 /nfs/dbraw/zinc/00/76/31/991007631.db2.gz UXCJGDRWGYBWOG-GJWDQICYSA-N 1 0 395.525 1.144 20 0 GDADRO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001598555632 993053275 /nfs/dbraw/zinc/05/32/75/993053275.db2.gz QUTSRKPGLPNBOQ-TXPKVOOTSA-N 1 0 384.480 1.795 20 0 GDADRO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001598617010 993904348 /nfs/dbraw/zinc/90/43/48/993904348.db2.gz MWDCUGIASYDDSC-UHFFFAOYSA-N 1 0 375.391 1.719 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC[NH+](C)CC(=O)[O-] ZINC001594375299 999415496 /nfs/dbraw/zinc/41/54/96/999415496.db2.gz NOEVKKYMZRUABJ-INIZCTEOSA-N 1 0 377.485 1.686 20 0 GDADRO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH2+]C3(CO)Cc4ccccc4C3)n12 ZINC000363645274 1126079818 /nfs/dbraw/zinc/07/98/18/1126079818.db2.gz NXBSCFBCCGPWCF-UHFFFAOYSA-N 1 0 389.459 1.509 20 0 GDADRO COc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc(Cl)c1OCC(N)=O ZINC000172068927 1126076759 /nfs/dbraw/zinc/07/67/59/1126076759.db2.gz LMJYESFZDGKJEO-CRAIPNDOSA-N 1 0 376.840 1.961 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc(N3CCOCC3)s2)[C@@H](O)C1 ZINC000865746017 1126116096 /nfs/dbraw/zinc/11/60/96/1126116096.db2.gz IEKLOOSDHPKBFH-GJZGRUSLSA-N 1 0 398.529 1.440 20 0 GDADRO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000883324614 1126125254 /nfs/dbraw/zinc/12/52/54/1126125254.db2.gz XTRGUZTVDOQBGN-IBGZPJMESA-N 1 0 375.494 1.912 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000898394257 1126126645 /nfs/dbraw/zinc/12/66/45/1126126645.db2.gz XMOVYRAJWYWFLU-IAOVAPTHSA-N 1 0 395.912 1.952 20 0 GDADRO Cn1c2nnc(C[NH2+][C@](C)(CO)Cc3ccccc3F)n2c2ccccc2c1=O ZINC000933436567 1126140726 /nfs/dbraw/zinc/14/07/26/1126140726.db2.gz ZRYAXIOETRLDQI-NRFANRHFSA-N 1 0 395.438 1.804 20 0 GDADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158962943 530538699 /nfs/dbraw/zinc/53/86/99/530538699.db2.gz ABIRRWXNUDQCGQ-LLVKDONJSA-N 1 0 397.360 1.944 20 0 GDADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)C1CC1 ZINC000159199174 530541399 /nfs/dbraw/zinc/54/13/99/530541399.db2.gz AWFFXHIWJJSPQS-CABCVRRESA-N 1 0 380.286 1.907 20 0 GDADRO C[NH+](C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010077948 530551690 /nfs/dbraw/zinc/55/16/90/530551690.db2.gz VWYQSFWXGANPCL-UHFFFAOYSA-N 1 0 394.950 1.369 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000014939305 530561298 /nfs/dbraw/zinc/56/12/98/530561298.db2.gz CELSKCOGUSUGAU-UHFFFAOYSA-N 1 0 387.933 1.950 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccccc1OC(F)F ZINC000161705986 530562986 /nfs/dbraw/zinc/56/29/86/530562986.db2.gz RKORQLJHEKXACW-ZDUSSCGKSA-N 1 0 378.441 1.803 20 0 GDADRO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000162564162 530569292 /nfs/dbraw/zinc/56/92/92/530569292.db2.gz ZQVNPECJTFEJSF-CQSZACIVSA-N 1 0 398.301 1.739 20 0 GDADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000162650157 530569297 /nfs/dbraw/zinc/56/92/97/530569297.db2.gz YKHHOUQMLFBBEF-ZDUSSCGKSA-N 1 0 398.301 1.522 20 0 GDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)CCO1 ZINC000162576849 530569367 /nfs/dbraw/zinc/56/93/67/530569367.db2.gz HSVOVDVSCDETNJ-VIFPVBQESA-N 1 0 399.257 1.678 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2OC)CC1 ZINC000163211985 530574031 /nfs/dbraw/zinc/57/40/31/530574031.db2.gz BVEXGDZGXWCUJS-UHFFFAOYSA-N 1 0 384.274 1.950 20 0 GDADRO CC[C@@H](C(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1)[NH+](C)C ZINC000163461146 530575652 /nfs/dbraw/zinc/57/56/52/530575652.db2.gz QYFHBJQNLLLUSF-AWEZNQCLSA-N 1 0 375.560 1.778 20 0 GDADRO CC(C)Oc1cc(Br)cc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000163898840 530578001 /nfs/dbraw/zinc/57/80/01/530578001.db2.gz LYEQDABVOUBRQG-CYBMUJFWSA-N 1 0 393.303 1.937 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171044514 530592979 /nfs/dbraw/zinc/59/29/79/530592979.db2.gz RIZIEOQDXFHKBQ-OAHLLOKOSA-N 1 0 385.555 1.893 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Br)cnc1Cl)N1CC[NH+](C)CC1 ZINC000171133215 530594949 /nfs/dbraw/zinc/59/49/49/530594949.db2.gz GBTWRIUCUYKOMR-JTQLQIEISA-N 1 0 375.698 1.863 20 0 GDADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000029913345 530596341 /nfs/dbraw/zinc/59/63/41/530596341.db2.gz SOPLJSWHXMNSAR-UHFFFAOYSA-N 1 0 391.946 1.719 20 0 GDADRO Cc1cc(I)ccc1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000037029236 530615430 /nfs/dbraw/zinc/61/54/30/530615430.db2.gz TXCCCKNIMYCLCD-JTQLQIEISA-N 1 0 396.250 1.300 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000172291587 530611619 /nfs/dbraw/zinc/61/16/19/530611619.db2.gz LKFJBRZFDMMGEM-LBPRGKRZSA-N 1 0 398.301 1.944 20 0 GDADRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000033629925 530612327 /nfs/dbraw/zinc/61/23/27/530612327.db2.gz PTZYDMCZPNMGKI-NSHDSACASA-N 1 0 380.251 1.616 20 0 GDADRO Cc1ncsc1CC[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000172522983 530613917 /nfs/dbraw/zinc/61/39/17/530613917.db2.gz HNFHWAUCAQOIHL-UHFFFAOYSA-N 1 0 375.523 1.881 20 0 GDADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173215271 530626159 /nfs/dbraw/zinc/62/61/59/530626159.db2.gz OIJNGCVEMVKOSO-GFCCVEGCSA-N 1 0 382.233 1.999 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000042742523 530630813 /nfs/dbraw/zinc/63/08/13/530630813.db2.gz YDDIGCCLPJNRSH-UHFFFAOYSA-N 1 0 394.313 1.713 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000173457278 530630826 /nfs/dbraw/zinc/63/08/26/530630826.db2.gz CGYHSWQGWWBHPZ-GFCCVEGCSA-N 1 0 379.448 1.656 20 0 GDADRO C[NH+]1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000173622070 530633606 /nfs/dbraw/zinc/63/36/06/530633606.db2.gz JEQWSBXFTLEYDG-UHFFFAOYSA-N 1 0 385.917 1.515 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC[NH+]2CCCC2)s1 ZINC000043660078 530635721 /nfs/dbraw/zinc/63/57/21/530635721.db2.gz JCZODLXQUGJDLU-HNNXBMFYSA-N 1 0 385.555 1.812 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000174131341 530643946 /nfs/dbraw/zinc/64/39/46/530643946.db2.gz JIXRIBPIEZSNDE-HZPDHXFCSA-N 1 0 387.318 1.577 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000174137005 530643949 /nfs/dbraw/zinc/64/39/49/530643949.db2.gz OIIJYHZKDBEXQE-NSHDSACASA-N 1 0 379.935 1.623 20 0 GDADRO O=C1C[C@@H]([NH2+]Cc2cccc(Br)c2)CN1CCN1CCOCC1 ZINC000172698099 530616811 /nfs/dbraw/zinc/61/68/11/530616811.db2.gz IXIMCIQKBXHAJK-MRXNPFEDSA-N 1 0 382.302 1.472 20 0 GDADRO O=C1C[C@H]([NH2+]Cc2ccc(Br)s2)CN1CCN1CCOCC1 ZINC000172697596 530617106 /nfs/dbraw/zinc/61/71/06/530617106.db2.gz UBIJWDIHLFSTPO-LBPRGKRZSA-N 1 0 388.331 1.533 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000037982590 530617235 /nfs/dbraw/zinc/61/72/35/530617235.db2.gz WYFGMGRYAFQDAI-JTQLQIEISA-N 1 0 378.288 1.991 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCc3c2cccc3Br)CC1=O ZINC000172758565 530617852 /nfs/dbraw/zinc/61/78/52/530617852.db2.gz IWVFEIAIXDXJQF-MLGOLLRUSA-N 1 0 394.313 1.963 20 0 GDADRO CN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000176379337 530682456 /nfs/dbraw/zinc/68/24/56/530682456.db2.gz OIJBSLCACWWWPF-UHFFFAOYSA-N 1 0 392.319 1.138 20 0 GDADRO CCCS(=O)(=O)N1CCC(NC(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000045740839 530645922 /nfs/dbraw/zinc/64/59/22/530645922.db2.gz CJQQIMDYKLFKJJ-UHFFFAOYSA-N 1 0 376.567 1.420 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3cc(Br)ccc32)CC1=O ZINC000174313791 530646938 /nfs/dbraw/zinc/64/69/38/530646938.db2.gz CJSPWUZWEJMQPS-ZDUSSCGKSA-N 1 0 380.286 1.748 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000174349433 530647087 /nfs/dbraw/zinc/64/70/87/530647087.db2.gz QGGIYXQPRVDMPK-NWDGAFQWSA-N 1 0 388.295 1.637 20 0 GDADRO CC1CC[NH+]([C@H](CNC(=O)NCCNS(C)(=O)=O)c2cccs2)CC1 ZINC000045857975 530647620 /nfs/dbraw/zinc/64/76/20/530647620.db2.gz CZFPZWDCOAAWGV-CQSZACIVSA-N 1 0 388.559 1.370 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)Cn2cc(Br)ccc2=O)C[C@@H](C)O1 ZINC000046028620 530648660 /nfs/dbraw/zinc/64/86/60/530648660.db2.gz RJLLOVPKZXTZCP-CHWSQXEVSA-N 1 0 386.290 1.226 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000046863399 530654183 /nfs/dbraw/zinc/65/41/83/530654183.db2.gz ISTDMFAZJILOSI-LBPRGKRZSA-N 1 0 393.962 1.870 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046952073 530654929 /nfs/dbraw/zinc/65/49/29/530654929.db2.gz ZBNVGIDLVYYVIO-KGLIPLIRSA-N 1 0 387.571 1.690 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CC1=O ZINC000174995819 530657430 /nfs/dbraw/zinc/65/74/30/530657430.db2.gz CFBJXWSYRUPBAE-DOMZBBRYSA-N 1 0 388.295 1.553 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)Cn1cc(Br)ccc1=O)Cc1ccccc1 ZINC000047526471 530660350 /nfs/dbraw/zinc/66/03/50/530660350.db2.gz RCVXKXGECLHKMO-MRXNPFEDSA-N 1 0 392.297 1.900 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)C1CC1 ZINC000047922790 530663961 /nfs/dbraw/zinc/66/39/61/530663961.db2.gz GTZLIWSVFZKLDS-CQSZACIVSA-N 1 0 385.555 1.993 20 0 GDADRO CN(CCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)S(C)(=O)=O ZINC000047956382 530664061 /nfs/dbraw/zinc/66/40/61/530664061.db2.gz PLOZHCDLDPGCLX-CQSZACIVSA-N 1 0 388.559 1.466 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175478242 530665444 /nfs/dbraw/zinc/66/54/44/530665444.db2.gz ZGZOSIZNPGOZCH-UHFFFAOYSA-N 1 0 396.285 1.989 20 0 GDADRO CC1(C)CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[NH2+]1 ZINC000175425676 530665798 /nfs/dbraw/zinc/66/57/98/530665798.db2.gz TUFJNQLXFYZOFZ-UHFFFAOYSA-N 1 0 385.555 1.676 20 0 GDADRO Cc1cc(CCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)ccc1Br ZINC000175574580 530667821 /nfs/dbraw/zinc/66/78/21/530667821.db2.gz BOQPLRJICRNLFL-UHFFFAOYSA-N 1 0 396.329 1.923 20 0 GDADRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc(Br)cc1S(N)(=O)=O ZINC000176084520 530676229 /nfs/dbraw/zinc/67/62/29/530676229.db2.gz AFQCUDLVCPVGBO-JTQLQIEISA-N 1 0 390.303 1.086 20 0 GDADRO C[C@@H](CNC(=O)Cn1cnc2ccc(Br)cc2c1=O)[NH+]1CCCC1 ZINC000052641570 530686744 /nfs/dbraw/zinc/68/67/44/530686744.db2.gz WWUWFITWIWIIQL-LBPRGKRZSA-N 1 0 393.285 1.760 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000176631864 530687855 /nfs/dbraw/zinc/68/78/55/530687855.db2.gz HMSAWWFQVCUGBV-WFASDCNBSA-N 1 0 382.302 1.978 20 0 GDADRO CC(=O)NCC1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000052848651 530688159 /nfs/dbraw/zinc/68/81/59/530688159.db2.gz IMOXXVHKXTXMFM-UHFFFAOYSA-N 1 0 393.285 1.805 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CCCCC1 ZINC000053267120 530691496 /nfs/dbraw/zinc/69/14/96/530691496.db2.gz DKXOZABQUPQVNH-UHFFFAOYSA-N 1 0 387.571 1.834 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)NCCC[NH+]2CCCCCC2)s1 ZINC000053272229 530691775 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C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179572834 530744161 /nfs/dbraw/zinc/74/41/61/530744161.db2.gz UCEUJXNLMNFJQP-NSHDSACASA-N 1 0 389.315 1.876 20 0 GDADRO COc1cc(I)c(C(=O)N2CC[C@H](C[NH3+])C2)cc1OC ZINC000178571288 530723286 /nfs/dbraw/zinc/72/32/86/530723286.db2.gz IBHFHBOSJUQXLS-SECBINFHSA-N 1 0 390.221 1.729 20 0 GDADRO C[C@@H]([NH3+])CCNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000178695449 530726236 /nfs/dbraw/zinc/72/62/36/530726236.db2.gz YMDWNCQPTIPHAJ-SNVBAGLBSA-N 1 0 380.539 1.950 20 0 GDADRO C[C@@H]([NH3+])CCNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000178696496 530726326 /nfs/dbraw/zinc/72/63/26/530726326.db2.gz INNLBTWMCXSPLV-LLVKDONJSA-N 1 0 375.441 1.219 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)CC1 ZINC000178841230 530729069 /nfs/dbraw/zinc/72/90/69/530729069.db2.gz PJPBECIPAHDXBL-NSHDSACASA-N 1 0 396.285 1.760 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000178979630 530732838 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379.452 1.987 20 0 GDADRO COc1ccc(Br)c(CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000188688928 530898528 /nfs/dbraw/zinc/89/85/28/530898528.db2.gz JUDXMVAZKASOLS-CHWSQXEVSA-N 1 0 385.302 1.914 20 0 GDADRO COCCN(C)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188720373 530899197 /nfs/dbraw/zinc/89/91/97/530899197.db2.gz HTVSUAVKLPAGEN-UHFFFAOYSA-N 1 0 386.334 1.954 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC[NH+]2CCC1CC2 ZINC000188854906 530902946 /nfs/dbraw/zinc/90/29/46/530902946.db2.gz CXDAZAYYUGJVJM-UHFFFAOYSA-N 1 0 394.269 1.481 20 0 GDADRO O=C(CNC(=O)C[N@@H+](CCCCO)C1CC1)Nc1ccccc1Br ZINC000112659753 530883383 /nfs/dbraw/zinc/88/33/83/530883383.db2.gz LJQHIKHWEOEBBD-UHFFFAOYSA-N 1 0 398.301 1.741 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000112924393 530885280 /nfs/dbraw/zinc/88/52/80/530885280.db2.gz JXMCBOHEESSVBB-PWSUYJOCSA-N 1 0 394.269 1.644 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000114148157 530892619 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[NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1 ZINC000440861866 531348982 /nfs/dbraw/zinc/34/89/82/531348982.db2.gz RRSFJALDSFRWFS-KBPBESRZSA-N 1 0 387.527 1.019 20 0 GDADRO CO[C@H]1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000440854865 531349219 /nfs/dbraw/zinc/34/92/19/531349219.db2.gz DSKVJASMPDDGIO-YPMHNXCESA-N 1 0 382.404 1.755 20 0 GDADRO C[C@@]1(CNS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CCC[NH2+]C1 ZINC000440857580 531349229 /nfs/dbraw/zinc/34/92/29/531349229.db2.gz JLBDCCRRYBXEHR-OAHLLOKOSA-N 1 0 394.946 1.553 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(C)ccc2Br)[C@H](C[NH3+])C1 ZINC000440860381 531349273 /nfs/dbraw/zinc/34/92/73/531349273.db2.gz FHXWLEXQPKCMGV-NWDGAFQWSA-N 1 0 377.304 1.884 20 0 GDADRO CC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCNC1=O ZINC000440952996 531350778 /nfs/dbraw/zinc/35/07/78/531350778.db2.gz GRJDTEDFQPUNAJ-TZMCWYRMSA-N 1 0 375.238 1.538 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)C2)C1 ZINC000292371673 531351575 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C[C@H](CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C[NH+](C)C ZINC000292218603 531343743 /nfs/dbraw/zinc/34/37/43/531343743.db2.gz BNTADHFTWMNTBN-CQSZACIVSA-N 1 0 387.571 1.779 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000440748571 531343939 /nfs/dbraw/zinc/34/39/39/531343939.db2.gz OZOOVMKCZMEXOQ-RKDXNWHRSA-N 1 0 381.267 1.968 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)C[NH3+] ZINC000440753588 531344145 /nfs/dbraw/zinc/34/41/45/531344145.db2.gz ZVDQTDYUMRHWHU-SNVBAGLBSA-N 1 0 381.292 1.490 20 0 GDADRO COC(=O)[C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC[N@H+](C)C1 ZINC000411904981 531345008 /nfs/dbraw/zinc/34/50/08/531345008.db2.gz MKDGDDHNOOHBNI-QWHCGFSZSA-N 1 0 391.295 1.770 20 0 GDADRO COc1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c(OC)cc1Br ZINC000440808309 531345508 /nfs/dbraw/zinc/34/55/08/531345508.db2.gz XKBIKDXOBKLXPT-SNVBAGLBSA-N 1 0 393.303 1.887 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000278239421 531345588 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CVRZJDHXALTIAA-ZDUSSCGKSA-N 1 0 394.273 1.804 20 0 GDADRO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)sc1S(N)(=O)=O ZINC000442290106 531371633 /nfs/dbraw/zinc/37/16/33/531371633.db2.gz IQDVLFLZVOBGSM-GFCCVEGCSA-N 1 0 387.527 1.495 20 0 GDADRO CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481654925 531389003 /nfs/dbraw/zinc/38/90/03/531389003.db2.gz DKWAFAPQBXSHSI-SNPRPXQTSA-N 1 0 376.906 1.686 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000443361633 531392592 /nfs/dbraw/zinc/39/25/92/531392592.db2.gz NRESGAFFRVGWJN-UHFFFAOYSA-N 1 0 391.515 1.097 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(Br)cc3)[C@H]2C1 ZINC000292765254 531377483 /nfs/dbraw/zinc/37/74/83/531377483.db2.gz JDXICJKGXKXODM-LSDHHAIUSA-N 1 0 389.315 1.933 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442863144 531378028 /nfs/dbraw/zinc/37/80/28/531378028.db2.gz QAYWOCGINJNPKA-JTQLQIEISA-N 1 0 386.898 1.170 20 0 GDADRO C[NH+](C)CCCNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000293039287 531396753 /nfs/dbraw/zinc/39/67/53/531396753.db2.gz PYCUYVOAYSMBKI-UHFFFAOYSA-N 1 0 375.560 1.683 20 0 GDADRO CCCn1nc(C)c(C[NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)c1C ZINC000482497859 531398984 /nfs/dbraw/zinc/39/89/84/531398984.db2.gz GOALSXDXPCSWFO-UHFFFAOYSA-N 1 0 387.531 1.449 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000267189628 531409174 /nfs/dbraw/zinc/40/91/74/531409174.db2.gz YNZLKMPYYMOZEE-UHFFFAOYSA-N 1 0 383.495 1.849 20 0 GDADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000267123129 531399519 /nfs/dbraw/zinc/39/95/19/531399519.db2.gz OGEMRKJDAZLOPT-LLVKDONJSA-N 1 0 389.265 1.928 20 0 GDADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000267123131 531399822 /nfs/dbraw/zinc/39/98/22/531399822.db2.gz OGEMRKJDAZLOPT-NSHDSACASA-N 1 0 389.265 1.928 20 0 GDADRO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000278913589 531402054 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CS[C@H]1CN(C(=O)CSCC(=O)N2CCCCC2)C[C@H]1[NH+]1CCCC1 ZINC000483401355 531412236 /nfs/dbraw/zinc/41/22/36/531412236.db2.gz FGFSJLQUFKDUMK-CVEARBPZSA-N 1 0 385.599 1.770 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(=O)(=O)NC)s2)C[C@H]1C ZINC000483677406 531413181 /nfs/dbraw/zinc/41/31/81/531413181.db2.gz BQNJFIAXUSYTPJ-OLZOCXBDSA-N 1 0 388.559 1.670 20 0 GDADRO COc1cc(C[NH2+][C@H](C)CCS(C)(=O)=O)cc(Cl)c1OCC(N)=O ZINC000531629749 531413945 /nfs/dbraw/zinc/41/39/45/531413945.db2.gz NAVYGONODXXFRG-SNVBAGLBSA-N 1 0 378.878 1.126 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Cl ZINC000447235700 531421191 /nfs/dbraw/zinc/42/11/91/531421191.db2.gz BELRHFAQABWSLO-LBPRGKRZSA-N 1 0 389.905 1.357 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000447247190 531422327 /nfs/dbraw/zinc/42/23/27/531422327.db2.gz QHBFPCBYFKFFFA-GHMZBOCLSA-N 1 0 380.919 1.242 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000447249845 531422961 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C[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)[C@H](C[NH3+])C1 ZINC000293777933 531442900 /nfs/dbraw/zinc/44/29/00/531442900.db2.gz ZBWDWDAIDNWVAR-ZJUUUORDSA-N 1 0 390.303 1.296 20 0 GDADRO O=S1(=O)CCO[C@H](C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000535072047 531443067 /nfs/dbraw/zinc/44/30/67/531443067.db2.gz NXCAVKVHMDSGQL-SNVBAGLBSA-N 1 0 378.244 1.081 20 0 GDADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000293774159 531443637 /nfs/dbraw/zinc/44/36/37/531443637.db2.gz NSUNYWKTWWGKPA-NSHDSACASA-N 1 0 381.420 1.298 20 0 GDADRO CSC[C@H](CCO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414360153 531443716 /nfs/dbraw/zinc/44/37/16/531443716.db2.gz QFPQYTBYZLUYFO-JTQLQIEISA-N 1 0 383.333 1.300 20 0 GDADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000447945653 531444023 /nfs/dbraw/zinc/44/40/23/531444023.db2.gz XKLCJUXUAYCZJR-INIZCTEOSA-N 1 0 388.555 1.630 20 0 GDADRO C[C@@H]1C[C@@H](NCc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000414364437 531444464 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C[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415310260 531473767 /nfs/dbraw/zinc/47/37/67/531473767.db2.gz VTYCINYWCGDNAO-UHFFFAOYSA-N 1 0 393.079 1.876 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000449710784 531474325 /nfs/dbraw/zinc/47/43/25/531474325.db2.gz BNQCXZDGKFQSOK-WCQYABFASA-N 1 0 393.285 1.793 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)C1 ZINC000415319479 531474427 /nfs/dbraw/zinc/47/44/27/531474427.db2.gz OKGKAPMQFUSLHE-LBPRGKRZSA-N 1 0 392.257 1.394 20 0 GDADRO [NH3+]CC[C@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C(F)(F)F ZINC000449720478 531474454 /nfs/dbraw/zinc/47/44/54/531474454.db2.gz NAHWBTFKUBJAPF-ZDUSSCGKSA-N 1 0 379.404 1.384 20 0 GDADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415320001 531474498 /nfs/dbraw/zinc/47/44/98/531474498.db2.gz AJMHDVKWGXFTSL-SECBINFHSA-N 1 0 390.665 1.918 20 0 GDADRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000268098347 531474533 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COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000267870963 531458990 /nfs/dbraw/zinc/45/89/90/531458990.db2.gz KCAQZAABTZFQRI-SNVBAGLBSA-N 1 0 388.237 1.364 20 0 GDADRO COc1ccc(C[NH2+]CCCCn2cc(C(N)=O)nn2)c(Br)c1 ZINC000414567313 531459348 /nfs/dbraw/zinc/45/93/48/531459348.db2.gz KHRNFNVINKUOPG-UHFFFAOYSA-N 1 0 382.262 1.718 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CCc2cccc(Cl)c2Cl)[C@H](N2CCOCC2)C1 ZINC000279892672 531459655 /nfs/dbraw/zinc/45/96/55/531459655.db2.gz DIJACLXHWHMCGN-LSDHHAIUSA-N 1 0 393.336 1.623 20 0 GDADRO Cn1cc(Br)cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1=O ZINC000267921278 531461005 /nfs/dbraw/zinc/46/10/05/531461005.db2.gz CQOZVSDWUZGSJE-CQSZACIVSA-N 1 0 389.319 1.707 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000414675559 531461763 /nfs/dbraw/zinc/46/17/63/531461763.db2.gz GEXFCMJSZWQAOH-LLVKDONJSA-N 1 0 390.893 1.220 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000486858402 531462803 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C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000415294190 531472465 /nfs/dbraw/zinc/47/24/65/531472465.db2.gz FJZIKLXDZUYUEK-VIFPVBQESA-N 1 0 378.230 1.151 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000415302402 531472979 /nfs/dbraw/zinc/47/29/79/531472979.db2.gz RCTVBZYPPOACGR-NSHDSACASA-N 1 0 398.257 1.385 20 0 GDADRO Cc1nn(C)c(NC(=O)N(C)C[C@H](O)C[NH3+])c1-c1ccc(Br)cc1 ZINC000415358126 531478592 /nfs/dbraw/zinc/47/85/92/531478592.db2.gz IBSGSFZPMYVMSJ-CYBMUJFWSA-N 1 0 396.289 1.941 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415372284 531480409 /nfs/dbraw/zinc/48/04/09/531480409.db2.gz GGMLSAGERVTFCI-GFCCVEGCSA-N 1 0 392.257 1.442 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC(C)(C)C[NH3+])nn1-c1ccc(Cl)c(Cl)c1 ZINC000415378429 531480828 /nfs/dbraw/zinc/48/08/28/531480828.db2.gz HTJGYPWSIOHBQM-UHFFFAOYSA-N 1 0 384.267 2.280 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)NCC[C@H](C)[NH3+])ccc1Br ZINC000415380385 531481488 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COc1cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)ccc1Br ZINC000415407497 531483100 /nfs/dbraw/zinc/48/31/00/531483100.db2.gz GAGIVVPFEJAKHF-LLVKDONJSA-N 1 0 384.274 1.902 20 0 GDADRO NS(=O)(=O)c1ccc(Br)c(C(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000280261099 531483742 /nfs/dbraw/zinc/48/37/42/531483742.db2.gz ONRHNHSKZUHKCM-UHFFFAOYSA-N 1 0 388.287 1.088 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn(C)c1I ZINC000294531082 531483924 /nfs/dbraw/zinc/48/39/24/531483924.db2.gz KTAIGYZVDAINGL-SNVBAGLBSA-N 1 0 390.269 1.827 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000415412572 531484301 /nfs/dbraw/zinc/48/43/01/531484301.db2.gz HSQYVUOLKBBPIY-JTQLQIEISA-N 1 0 392.283 1.929 20 0 GDADRO Cn1cc(Br)cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1=O ZINC000415427648 531484839 /nfs/dbraw/zinc/48/48/39/531484839.db2.gz OZTZWLFCRKQIDH-ZDUSSCGKSA-N 1 0 399.289 1.110 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Br)c2cccnc12)C1CC1 ZINC000415460725 531487748 /nfs/dbraw/zinc/48/77/48/531487748.db2.gz YYHYCJVUVBDRLS-ZDUSSCGKSA-N 1 0 377.242 1.789 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)NCC(C)(C)[NH3+])cc1Cl ZINC000415463718 531487778 /nfs/dbraw/zinc/48/77/78/531487778.db2.gz BWNSAXUGIQQIGC-UHFFFAOYSA-N 1 0 378.256 1.811 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415470457 531488666 /nfs/dbraw/zinc/48/86/66/531488666.db2.gz OLGLYMDYOFGHPT-LLVKDONJSA-N 1 0 382.251 2.067 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(I)cc1 ZINC000415491380 531489685 /nfs/dbraw/zinc/48/96/85/531489685.db2.gz ZMEAVXVYAIACEN-UHFFFAOYSA-N 1 0 389.237 1.673 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415521185 531491606 /nfs/dbraw/zinc/49/16/06/531491606.db2.gz SOELPGJWWHRPBU-UHFFFAOYSA-N 1 0 394.273 1.689 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(I)cc1 ZINC000415520942 531491702 /nfs/dbraw/zinc/49/17/02/531491702.db2.gz KYVGDVKXXGYGQB-VHSXEESVSA-N 1 0 387.221 1.425 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000415521978 531491776 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CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415676862 531512301 /nfs/dbraw/zinc/51/23/01/531512301.db2.gz MSMJGBSZBOTIEI-ZYHUDNBSSA-N 1 0 387.889 1.329 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415675257 531512447 /nfs/dbraw/zinc/51/24/47/531512447.db2.gz KZAHIHZWCPOHKD-ZDUSSCGKSA-N 1 0 383.290 1.985 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415671073 531512679 /nfs/dbraw/zinc/51/26/79/531512679.db2.gz JCXLWNBANJGLQD-PHIMTYICSA-N 1 0 382.258 1.382 20 0 GDADRO CSCC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)N(C)C ZINC000489863317 531513311 /nfs/dbraw/zinc/51/33/11/531513311.db2.gz YVWPXWZZRRDUMJ-CJNGLKHVSA-N 1 0 387.571 1.797 20 0 GDADRO COCCN(Cc1ccc(C(=O)OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000295016974 531513454 /nfs/dbraw/zinc/51/34/54/531513454.db2.gz UBYVRSKLEJGUDP-CYBMUJFWSA-N 1 0 375.874 1.762 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363864354 531513306 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C[C@H]([NH3+])c1ccc(NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 ZINC000415717377 531518054 /nfs/dbraw/zinc/51/80/54/531518054.db2.gz DMVZWGNDPXQHRT-JOYOIKCWSA-N 1 0 382.408 1.650 20 0 GDADRO CC[NH+](CC)CCCCNC(=O)c1cnn(C)c1I ZINC000294727181 531494138 /nfs/dbraw/zinc/49/41/38/531494138.db2.gz KJTZPYSXEPHBCW-UHFFFAOYSA-N 1 0 378.258 1.877 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415558710 531494417 /nfs/dbraw/zinc/49/44/17/531494417.db2.gz JUQAKCRUWGCHKW-MNOVXSKESA-N 1 0 384.274 1.900 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(I)cc1 ZINC000415567824 531495533 /nfs/dbraw/zinc/49/55/33/531495533.db2.gz QKNRHOKREQOTCZ-VHSXEESVSA-N 1 0 387.221 1.439 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000415583280 531498308 /nfs/dbraw/zinc/49/83/08/531498308.db2.gz JCBWTEXBPLEHKF-MVWJERBFSA-N 1 0 382.258 1.592 20 0 GDADRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000415579656 531498501 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MQOYUWNESJWERN-UHFFFAOYSA-N 1 0 376.360 1.279 20 0 GDADRO COCCOC[C@H](O)C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000450678252 531506083 /nfs/dbraw/zinc/50/60/83/531506083.db2.gz SLJMFRTXTUESFZ-VXGBXAGGSA-N 1 0 390.274 1.895 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000294931791 531507121 /nfs/dbraw/zinc/50/71/21/531507121.db2.gz BQXVJGQIZLNBQP-NSHDSACASA-N 1 0 395.319 1.884 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363775103 531507485 /nfs/dbraw/zinc/50/74/85/531507485.db2.gz PZLZIXVKSOWABK-RYUDHWBXSA-N 1 0 384.274 1.754 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000581656224 531507629 /nfs/dbraw/zinc/50/76/29/531507629.db2.gz FDUARFSAEYOJLP-DOMZBBRYSA-N 1 0 386.905 1.012 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415653009 531508492 /nfs/dbraw/zinc/50/84/92/531508492.db2.gz LVKIUUFRKAQDRG-ZYHUDNBSSA-N 1 0 384.274 1.901 20 0 GDADRO C[C@H]1COCCN1C1CCN(S(=O)(=O)c2ccc(Br)o2)CC1 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398.326 1.718 20 0 GDADRO C[C@H](CNC(=O)CCS(=O)(=O)c1cccc(Br)c1)C[NH+](C)C ZINC000416244142 531572263 /nfs/dbraw/zinc/57/22/63/531572263.db2.gz VGRNHRKFUJMTMT-GFCCVEGCSA-N 1 0 391.331 1.927 20 0 GDADRO C[C@H]1CN(C(=O)C[NH+]2CCC(n3cc(Br)cn3)CC2)C[C@H](C)O1 ZINC000364528170 531573091 /nfs/dbraw/zinc/57/30/91/531573091.db2.gz GCAGEIWMOZTSOK-STQMWFEESA-N 1 0 385.306 1.918 20 0 GDADRO CCC[C@@H](CC)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000583376639 531574391 /nfs/dbraw/zinc/57/43/91/531574391.db2.gz XUZABSRKPHYHOL-CQSZACIVSA-N 1 0 376.544 1.879 20 0 GDADRO O=C(c1cc(Br)ccc1-n1cnnn1)N1CC[NH+]2CCC1CC2 ZINC000613862046 531574469 /nfs/dbraw/zinc/57/44/69/531574469.db2.gz UAJOSNSMHZRCTJ-UHFFFAOYSA-N 1 0 377.246 1.345 20 0 GDADRO C[N@H+](CCCNS(=O)(=O)CC1CCS(=O)(=O)CC1)C1CCCCC1 ZINC000583372745 531574677 /nfs/dbraw/zinc/57/46/77/531574677.db2.gz GUGXPCQWJHEMAB-UHFFFAOYSA-N 1 0 380.576 1.385 20 0 GDADRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000364566247 531575686 /nfs/dbraw/zinc/57/56/86/531575686.db2.gz WVFOUZYNUWRXAI-RDJZCZTQSA-N 1 0 383.901 1.173 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)C(=O)NCC1(C)COC1)c1ccc(Cl)c(Cl)c1 ZINC000636718133 531575751 /nfs/dbraw/zinc/57/57/51/531575751.db2.gz ZHBMATWATCENFM-CQSZACIVSA-N 1 0 388.295 1.865 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)C1 ZINC000364575006 531578245 /nfs/dbraw/zinc/57/82/45/531578245.db2.gz IGIBAURGOREPMZ-ZDUSSCGKSA-N 1 0 375.897 1.880 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1I ZINC000583499731 531580416 /nfs/dbraw/zinc/58/04/16/531580416.db2.gz XPCZEHDADNXZMY-GWCFXTLKSA-N 1 0 394.278 1.957 20 0 GDADRO Cc1ncsc1CCS(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000451276620 531581816 /nfs/dbraw/zinc/58/18/16/531581816.db2.gz KUAVPTCNLROBTG-UHFFFAOYSA-N 1 0 375.560 1.803 20 0 GDADRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268880044 531581295 /nfs/dbraw/zinc/58/12/95/531581295.db2.gz ASUBVLCWJBFAOC-PBHICJAKSA-N 1 0 386.539 1.226 20 0 GDADRO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000451283587 531584053 /nfs/dbraw/zinc/58/40/53/531584053.db2.gz NSAXTQCIVSRTRO-STQMWFEESA-N 1 0 388.452 1.864 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000451289274 531584187 /nfs/dbraw/zinc/58/41/87/531584187.db2.gz XJHINJYHWQVTOV-MRXNPFEDSA-N 1 0 388.555 1.584 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC(NS(C)(=O)=O)C2)[C@H]1c1cccs1 ZINC000636839636 531584575 /nfs/dbraw/zinc/58/45/75/531584575.db2.gz DDKOMQMDTYRKLP-DOMZBBRYSA-N 1 0 386.543 1.074 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000493945367 531584537 /nfs/dbraw/zinc/58/45/37/531584537.db2.gz QJMPPJYMFWCMOL-LBPRGKRZSA-N 1 0 383.695 1.447 20 0 GDADRO C[C@H](NC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1)C(C)(C)C[NH+](C)C ZINC000583582541 531585136 /nfs/dbraw/zinc/58/51/36/531585136.db2.gz PYERQMMXCKBUGQ-LSDHHAIUSA-N 1 0 376.567 1.276 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493934036 531585604 /nfs/dbraw/zinc/58/56/04/531585604.db2.gz FNKKVCLYWPRVBZ-GOEBONIOSA-N 1 0 391.896 1.622 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)CC2CCS(=O)(=O)CC2)C1 ZINC000555948862 531587104 /nfs/dbraw/zinc/58/71/04/531587104.db2.gz UIKCNDDTOOPJBL-HOTGVXAUSA-N 1 0 394.603 1.489 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000660033829 531589350 /nfs/dbraw/zinc/58/93/50/531589350.db2.gz NDKRUENRINURLI-NSHDSACASA-N 1 0 381.274 1.631 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000583740703 531591940 /nfs/dbraw/zinc/59/19/40/531591940.db2.gz LOPFLKVWQRDXHR-UHFFFAOYSA-N 1 0 394.273 1.835 20 0 GDADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636979614 531592558 /nfs/dbraw/zinc/59/25/58/531592558.db2.gz ZNLCHVOMSSDWEJ-FZMZJTMJSA-N 1 0 388.281 1.885 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000636987588 531593149 /nfs/dbraw/zinc/59/31/49/531593149.db2.gz BYQOAQVSUWUPCT-GJZGRUSLSA-N 1 0 395.301 1.774 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000268982308 531594357 /nfs/dbraw/zinc/59/43/57/531594357.db2.gz NMFBUOYVWCAYNJ-CABCVRRESA-N 1 0 386.290 1.502 20 0 GDADRO CNC(=O)C[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000583807983 531595835 /nfs/dbraw/zinc/59/58/35/531595835.db2.gz LZPKNKIXGRONTR-MWLCHTKSSA-N 1 0 379.682 1.956 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000583805734 531596152 /nfs/dbraw/zinc/59/61/52/531596152.db2.gz DPPRFXTXAGVEQB-UHFFFAOYSA-N 1 0 380.436 1.406 20 0 GDADRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c(=O)n1C ZINC000583867344 531598883 /nfs/dbraw/zinc/59/88/83/531598883.db2.gz CAEAFDAKVXCBJA-OAHLLOKOSA-N 1 0 381.270 1.986 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364810732 531599610 /nfs/dbraw/zinc/59/96/10/531599610.db2.gz LSDXACHVIIELHK-HNNXBMFYSA-N 1 0 387.933 1.749 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cncc(Br)c1 ZINC000281255318 531598664 /nfs/dbraw/zinc/59/86/64/531598664.db2.gz MTNUAXQLDCXQTK-UHFFFAOYSA-N 1 0 385.306 1.067 20 0 GDADRO CSCC[C@H]([NH3+])C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000269048239 531601752 /nfs/dbraw/zinc/60/17/52/531601752.db2.gz OYGALAJZGNMGAT-HNNXBMFYSA-N 1 0 389.518 1.175 20 0 GDADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000295588039 531600218 /nfs/dbraw/zinc/60/02/18/531600218.db2.gz MHYZXIVNSADSRZ-NWDGAFQWSA-N 1 0 380.666 1.535 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CCN(c2nc(N)ns2)CC1)c1cccs1 ZINC000269017158 531600256 /nfs/dbraw/zinc/60/02/56/531600256.db2.gz MJXJAAAWVBVXBL-LLVKDONJSA-N 1 0 381.531 1.316 20 0 GDADRO C[NH+](C)CCC1CCN(S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC000451371266 531600864 /nfs/dbraw/zinc/60/08/64/531600864.db2.gz VVYSXFWRGKUBCZ-UHFFFAOYSA-N 1 0 388.555 1.584 20 0 GDADRO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000660090130 531602458 /nfs/dbraw/zinc/60/24/58/531602458.db2.gz HMYVXJCBXIEYKE-HNNXBMFYSA-N 1 0 376.881 1.840 20 0 GDADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000660092313 531604584 /nfs/dbraw/zinc/60/45/84/531604584.db2.gz SJSOXZBHKWNESX-LBPRGKRZSA-N 1 0 379.404 1.320 20 0 GDADRO Nc1nc(-n2cccn2)cc(N2CCC(n3cc(Br)cn3)CC2)[nH+]1 ZINC000364900201 531605621 /nfs/dbraw/zinc/60/56/21/531605621.db2.gz HRRCVEPPYXXRPF-UHFFFAOYSA-N 1 0 389.261 2.045 20 0 GDADRO CN(CCCO)C(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637117923 531605880 /nfs/dbraw/zinc/60/58/80/531605880.db2.gz FIQNCIGUXNYSSG-AWEZNQCLSA-N 1 0 376.284 1.553 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2ncc(Br)cn2n1 ZINC000637125039 531607532 /nfs/dbraw/zinc/60/75/32/531607532.db2.gz JLAKKCAHXVARBV-GFCCVEGCSA-N 1 0 395.305 1.248 20 0 GDADRO C[C@@H](CCNS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)[NH+]1CCCCC1 ZINC000451395196 531607537 /nfs/dbraw/zinc/60/75/37/531607537.db2.gz PWFSNLWYIRJFPA-HNNXBMFYSA-N 1 0 388.555 1.774 20 0 GDADRO COc1cc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)ccc1Cl ZINC000416417780 531608404 /nfs/dbraw/zinc/60/84/04/531608404.db2.gz OQTMUWDOTPTZSY-UHFFFAOYSA-N 1 0 375.922 1.653 20 0 GDADRO O=C(CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1)Nc1cc(Cl)cc(Cl)c1 ZINC000637176680 531610611 /nfs/dbraw/zinc/61/06/11/531610611.db2.gz ZEMTYEDBCOQSTN-CQSZACIVSA-N 1 0 389.283 1.688 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000584341592 531615623 /nfs/dbraw/zinc/61/56/23/531615623.db2.gz COAVSBFBFBRBFG-RYUDHWBXSA-N 1 0 388.511 1.839 20 0 GDADRO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000584287508 531612593 /nfs/dbraw/zinc/61/25/93/531612593.db2.gz OKFHFUDONQTDEW-CABCVRRESA-N 1 0 376.544 1.524 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)c2cc(Br)ccc21 ZINC000559870658 531612713 /nfs/dbraw/zinc/61/27/13/531612713.db2.gz FPWYCYLJNCFLPU-DYEKYZERSA-N 1 0 390.299 1.797 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1F ZINC000584290795 531613351 /nfs/dbraw/zinc/61/33/51/531613351.db2.gz GZFYKTDAEYJHEQ-UHFFFAOYSA-N 1 0 390.502 1.384 20 0 GDADRO O=C(Nc1cccc(I)c1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000584291722 531614003 /nfs/dbraw/zinc/61/40/03/531614003.db2.gz DOVPEMOIBSEPFM-LBPRGKRZSA-N 1 0 397.220 1.887 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1cc(Cl)cc(Br)c1 ZINC000637220170 531614489 /nfs/dbraw/zinc/61/44/89/531614489.db2.gz OJOYXVSHDUTMQT-CYBMUJFWSA-N 1 0 376.682 1.968 20 0 GDADRO CCCN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000269169655 531618048 /nfs/dbraw/zinc/61/80/48/531618048.db2.gz HFSLPLXBISIRPG-MRVPVSSYSA-N 1 0 396.332 1.372 20 0 GDADRO [NH3+][C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000584410017 531618645 /nfs/dbraw/zinc/61/86/45/531618645.db2.gz DZVHQLOVBBOQQE-PHIMTYICSA-N 1 0 392.308 1.564 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc2ncc(I)n2c1 ZINC000269173646 531618890 /nfs/dbraw/zinc/61/88/90/531618890.db2.gz KTIWBTIAJAPVQF-JTQLQIEISA-N 1 0 384.221 1.668 20 0 GDADRO O=C(NCC[NH2+]C1CC1)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000637306998 531619636 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GDADRO O=C(C[C@@H]1C[NH2+]CCO1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000269222448 531627164 /nfs/dbraw/zinc/62/71/64/531627164.db2.gz LEQBSHHDKQYWCO-MRXNPFEDSA-N 1 0 397.313 1.992 20 0 GDADRO O=C(C[C@H]1C[NH2+]CCO1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000269223707 531627306 /nfs/dbraw/zinc/62/73/06/531627306.db2.gz BMQZZYFMFWHZDI-LBPRGKRZSA-N 1 0 388.331 1.533 20 0 GDADRO OC[C@@H](Cc1ccncc1)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000584781514 531628339 /nfs/dbraw/zinc/62/83/39/531628339.db2.gz HAMWERQKDXDDAY-HZPDHXFCSA-N 1 0 381.270 1.777 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ncc1Br ZINC000365203601 531628427 /nfs/dbraw/zinc/62/84/27/531628427.db2.gz XYIKAHMVYDHUSH-VXGBXAGGSA-N 1 0 397.273 1.070 20 0 GDADRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc(Br)cc1S(N)(=O)=O ZINC000269240498 531628521 /nfs/dbraw/zinc/62/85/21/531628521.db2.gz YCOQYFONEFBKBA-UFBFGSQYSA-N 1 0 390.303 1.214 20 0 GDADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000616703541 531644569 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[NH3+]C[C@]1(C(=O)NC[C@@H](O)COc2ccccc2Br)CCCOC1 ZINC000638028255 531641545 /nfs/dbraw/zinc/64/15/45/531641545.db2.gz DDPMOHKHPIHVHZ-MLGOLLRUSA-N 1 0 387.274 1.061 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)s1 ZINC000269340357 531648945 /nfs/dbraw/zinc/64/89/45/531648945.db2.gz FZMUPUWRVVDGTR-FZMZJTMJSA-N 1 0 386.543 1.117 20 0 GDADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638227116 531649729 /nfs/dbraw/zinc/64/97/29/531649729.db2.gz NAZSNJYETCZDAS-NRSFXHEJSA-N 1 0 390.325 1.841 20 0 GDADRO COC[C@@]1(CNC(=O)c2ccc3cncc(Br)c3n2)CCC[NH2+]1 ZINC000638231928 531650138 /nfs/dbraw/zinc/65/01/38/531650138.db2.gz RBOGESGWTHVVKC-INIZCTEOSA-N 1 0 379.258 1.891 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000617013927 531650623 /nfs/dbraw/zinc/65/06/23/531650623.db2.gz CASFIDXMQMYJFX-SNVBAGLBSA-N 1 0 379.935 1.669 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCCN1CCC(O)CC1 ZINC000296075029 531651428 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GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000416507119 531654054 /nfs/dbraw/zinc/65/40/54/531654054.db2.gz JFARPYDZZFSGNC-UHFFFAOYSA-N 1 0 391.559 1.336 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC/C=C\c1ccc(Br)cc1 ZINC000638462343 531654797 /nfs/dbraw/zinc/65/47/97/531654797.db2.gz LKCVWYVLCZEDIG-RTNQIJGDSA-N 1 0 380.286 1.837 20 0 GDADRO CC(C)(C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)N1CCOCC1 ZINC000638438269 531654903 /nfs/dbraw/zinc/65/49/03/531654903.db2.gz WUVQAYCROGWLNY-UHFFFAOYSA-N 1 0 375.922 1.319 20 0 GDADRO CCOC(=O)N1CCC([NH2+]CCN(C)S(=O)(=O)c2cccs2)CC1 ZINC000269368620 531655937 /nfs/dbraw/zinc/65/59/37/531655937.db2.gz SCVLKUFXFXGQBN-UHFFFAOYSA-N 1 0 375.516 1.579 20 0 GDADRO CN(C(=O)c1c[nH]c(=O)c(Br)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365504598 531657476 /nfs/dbraw/zinc/65/74/76/531657476.db2.gz XKURRCOYALOIOC-AWEZNQCLSA-N 1 0 397.317 1.790 20 0 GDADRO CN(C)C(=O)CN1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638522329 531657900 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CSC1(CNC(=O)c2ccc(S(N)(=O)=O)cc2F)CC[NH+](C)CC1 ZINC000589477672 531672943 /nfs/dbraw/zinc/67/29/43/531672943.db2.gz XBKBHRGAPNNART-UHFFFAOYSA-N 1 0 375.491 1.030 20 0 GDADRO Cn1nccc1N1CCC[C@@H]([NH2+][C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000365730356 531676503 /nfs/dbraw/zinc/67/65/03/531676503.db2.gz ALIOURJZXGJMSL-ZBFHGGJFSA-N 1 0 392.301 1.968 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638928078 531676603 /nfs/dbraw/zinc/67/66/03/531676603.db2.gz DMEARKLSKBCXFP-SCZZXKLOSA-N 1 0 375.288 1.723 20 0 GDADRO O=C(CNC(=O)Cn1ccc2ccc(Br)cc21)N[C@@H]1CCC[NH2+]C1 ZINC000662395361 531676629 /nfs/dbraw/zinc/67/66/29/531676629.db2.gz LTZNPWPEDGQAGK-CQSZACIVSA-N 1 0 393.285 1.388 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000638939300 531677274 /nfs/dbraw/zinc/67/72/74/531677274.db2.gz FCVQSMOIOWXWRT-VHSXEESVSA-N 1 0 380.297 1.610 20 0 GDADRO C[C@H](C(=O)N1C[C@H]([NH3+])C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000638931678 531677306 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C[C@H](NC(=O)[C@H]1CCO[C@H]1C[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000662514510 531681780 /nfs/dbraw/zinc/68/17/80/531681780.db2.gz LUVMIXJNQSXXHQ-YHAQOWFVSA-N 1 0 385.258 1.761 20 0 GDADRO COc1cc(CN2CCCN(S(=O)(=O)N(C)C)CC2)c(Cl)cc1O ZINC000639193279 531684361 /nfs/dbraw/zinc/68/43/61/531684361.db2.gz JRJMIGVIUYDCOL-UHFFFAOYSA-N 1 0 377.894 1.368 20 0 GDADRO CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662536120 531684707 /nfs/dbraw/zinc/68/47/07/531684707.db2.gz XZOYTYCSTNESFL-UHFFFAOYSA-N 1 0 377.491 1.505 20 0 GDADRO O=C(c1cc(Br)ccc1-n1cnnn1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662522554 531685453 /nfs/dbraw/zinc/68/54/53/531685453.db2.gz ZZYOTQRRUPSCKD-MFKMUULPSA-N 1 0 377.246 1.249 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000639215707 531687716 /nfs/dbraw/zinc/68/77/16/531687716.db2.gz ZLAVDZPHEIYJML-ZDUSSCGKSA-N 1 0 386.539 1.398 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2nscc2Br)CC1 ZINC000662743321 531694616 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O=S(=O)(N[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1I ZINC000592365973 531781868 /nfs/dbraw/zinc/78/18/68/531781868.db2.gz MRNMRRZWEWASAL-QMMMGPOBSA-N 1 0 386.642 1.585 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCc2ccc(Br)cc21 ZINC000667629110 531782840 /nfs/dbraw/zinc/78/28/40/531782840.db2.gz IPSNXUYYMWXAHT-JSGCOSHPSA-N 1 0 378.270 1.549 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NCCCC[NH3+] ZINC000417593514 531782952 /nfs/dbraw/zinc/78/29/52/531782952.db2.gz ZHRDYZQBWMJIPL-UHFFFAOYSA-N 1 0 385.306 1.836 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCc2ccccc2Br)C1 ZINC000417355835 531766933 /nfs/dbraw/zinc/76/69/33/531766933.db2.gz OLZBYUOTZFWVKW-AWEZNQCLSA-N 1 0 397.317 1.488 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417400990 531767128 /nfs/dbraw/zinc/76/71/28/531767128.db2.gz AFFGDHNBWSRWLS-JSGCOSHPSA-N 1 0 397.317 1.948 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(Cc2cc3c(cc2Br)OCCO3)nn1 ZINC000640850433 531767527 /nfs/dbraw/zinc/76/75/27/531767527.db2.gz 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GDADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)NC[C@H]1C[NH2+]CCCO1 ZINC000418781141 531839722 /nfs/dbraw/zinc/83/97/22/531839722.db2.gz CXPFBSYXAHPMKR-VXGBXAGGSA-N 1 0 392.283 1.411 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000453826260 531830208 /nfs/dbraw/zinc/83/02/08/531830208.db2.gz VXTZYZLZUDNWEE-NSHDSACASA-N 1 0 375.803 1.520 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000418563047 531831532 /nfs/dbraw/zinc/83/15/32/531831532.db2.gz UWPNORWZKAYKNO-YRGRVCCFSA-N 1 0 386.290 1.486 20 0 GDADRO Cc1cnc(C(C)(C)NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000418612318 531831565 /nfs/dbraw/zinc/83/15/65/531831565.db2.gz IPQUBOXVKMQLRN-LLVKDONJSA-N 1 0 379.452 1.822 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418831171 531849553 /nfs/dbraw/zinc/84/95/53/531849553.db2.gz YMDBRAJLOMNLCB-INIZCTEOSA-N 1 0 384.249 1.416 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418848416 531853053 /nfs/dbraw/zinc/85/30/53/531853053.db2.gz YPQHAOQFPAVPSS-BNOWGMLFSA-N 1 0 380.286 1.174 20 0 GDADRO CC[NH+](CC)CCNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000298129799 531854847 /nfs/dbraw/zinc/85/48/47/531854847.db2.gz BZVZJBKJOWHWKK-UHFFFAOYSA-N 1 0 382.313 1.730 20 0 GDADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418850943 531855022 /nfs/dbraw/zinc/85/50/22/531855022.db2.gz RDYFNYKMQVRKMJ-BXUZGUMPSA-N 1 0 386.265 1.491 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C[C@H]1[NH3+] ZINC000418799780 531840437 /nfs/dbraw/zinc/84/04/37/531840437.db2.gz BAMMRZDKUZZNNY-ZLBRTTDGSA-N 1 0 384.249 1.366 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000593544156 531840830 /nfs/dbraw/zinc/84/08/30/531840830.db2.gz QUUMHNZVKBACNM-CYBMUJFWSA-N 1 0 375.897 1.880 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000418792497 531841133 /nfs/dbraw/zinc/84/11/33/531841133.db2.gz ZVOLZHCFDWCAIJ-GHMZBOCLSA-N 1 0 384.274 1.283 20 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/nfs/dbraw/zinc/84/44/41/531844441.db2.gz VLJLGKXJDAIPTR-KBPBESRZSA-N 1 0 389.543 1.136 20 0 GDADRO C[C@H]1CC[C@@H](NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)C[NH2+]1 ZINC000624406148 531844489 /nfs/dbraw/zinc/84/44/89/531844489.db2.gz WBUBYVXZNBITFM-JGVFFNPUSA-N 1 0 389.275 1.450 20 0 GDADRO COc1cc(Br)c2nc(N3CC[N@H+](CCO)C[C@H]3C)nc(N)c2c1 ZINC000641625669 531844916 /nfs/dbraw/zinc/84/49/16/531844916.db2.gz VANZXZBJPVUQFP-SNVBAGLBSA-N 1 0 396.289 1.486 20 0 GDADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000641623308 531844990 /nfs/dbraw/zinc/84/49/90/531844990.db2.gz GKUOSBNSTNMZMK-CABCVRRESA-N 1 0 382.592 1.582 20 0 GDADRO CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3[nH]cnc3C2)cc1Br ZINC000367546558 531846000 /nfs/dbraw/zinc/84/60/00/531846000.db2.gz JRXRLTMTUSUZTM-JTQLQIEISA-N 1 0 398.282 1.863 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000418822058 531846877 /nfs/dbraw/zinc/84/68/77/531846877.db2.gz HIEKHMYNDOAINY-DZGCQCFKSA-N 1 0 380.286 1.632 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000642981319 531866074 /nfs/dbraw/zinc/86/60/74/531866074.db2.gz YJJUHNBSWZXFLW-HIFRSBDPSA-N 1 0 395.301 1.766 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418934951 531866726 /nfs/dbraw/zinc/86/67/26/531866726.db2.gz CGFAXGWMNOCRQC-ZFWWWQNUSA-N 1 0 396.285 1.047 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000418932166 531866756 /nfs/dbraw/zinc/86/67/56/531866756.db2.gz FZHBFAKGQLENRH-JQWIXIFHSA-N 1 0 386.315 1.524 20 0 GDADRO NS(=O)(=O)c1cc(F)c(N2CC[C@@H]3CC[NH2+][C@H]3C2)c(Br)c1 ZINC000643031255 531866753 /nfs/dbraw/zinc/86/67/53/531866753.db2.gz LGEQCLYCENSFGL-UFBFGSQYSA-N 1 0 378.267 1.424 20 0 GDADRO NS(=O)(=O)c1cc(F)c(N2CC[C@H]3CC[NH2+][C@H]3C2)c(Br)c1 ZINC000643031252 531867057 /nfs/dbraw/zinc/86/70/57/531867057.db2.gz LGEQCLYCENSFGL-PELKAZGASA-N 1 0 378.267 1.424 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCC[NH+]1CCCC1 ZINC000642977321 531867131 /nfs/dbraw/zinc/86/71/31/531867131.db2.gz DSQLRZJBTMFWMP-UHFFFAOYSA-N 1 0 380.297 1.484 20 0 GDADRO O=C(NCCc1nccs1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000283478873 531867236 /nfs/dbraw/zinc/86/72/36/531867236.db2.gz OHDAWCDQUORDJS-ZDUSSCGKSA-N 1 0 378.523 1.817 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000418936461 531867435 /nfs/dbraw/zinc/86/74/35/531867435.db2.gz HGROREGVHHQYKE-UHFFFAOYSA-N 1 0 384.274 1.155 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000418937796 531867553 /nfs/dbraw/zinc/86/75/53/531867553.db2.gz GGTINZUKMOOXRH-WMLDXEAASA-N 1 0 380.286 1.750 20 0 GDADRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000563983640 531868003 /nfs/dbraw/zinc/86/80/03/531868003.db2.gz QDJSJHMLKIJMRF-UHFFFAOYSA-N 1 0 385.877 1.722 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418945355 531868622 /nfs/dbraw/zinc/86/86/22/531868622.db2.gz KAASAPWNVGLZNV-OLZOCXBDSA-N 1 0 396.285 1.012 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000563610897 531855697 /nfs/dbraw/zinc/85/56/97/531855697.db2.gz BOTHKARCEZWRSR-HOTGVXAUSA-N 1 0 398.301 1.911 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1 ZINC000418861725 531857710 /nfs/dbraw/zinc/85/77/10/531857710.db2.gz HBKWLIVYGYDEAM-RISCZKNCSA-N 1 0 384.274 1.121 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418863945 531857729 /nfs/dbraw/zinc/85/77/29/531857729.db2.gz IQAQEIQCGJCQHP-CHWSQXEVSA-N 1 0 385.295 1.557 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418862907 531857848 /nfs/dbraw/zinc/85/78/48/531857848.db2.gz HHSYPYHWQHSEIP-AAEUAGOBSA-N 1 0 387.311 1.789 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)c1ccc(Br)cn1 ZINC000418865003 531857982 /nfs/dbraw/zinc/85/79/82/531857982.db2.gz KIIDRIUKKTXVNC-LLVKDONJSA-N 1 0 383.290 1.799 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1ccc(Br)cn1 ZINC000418871639 531858505 /nfs/dbraw/zinc/85/85/05/531858505.db2.gz UUWWEZLHGRGRRS-LLVKDONJSA-N 1 0 383.290 1.527 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000418872604 531858534 /nfs/dbraw/zinc/85/85/34/531858534.db2.gz WYMMQAPWPOVNPS-CHWSQXEVSA-N 1 0 397.317 1.116 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000418868172 531859275 /nfs/dbraw/zinc/85/92/75/531859275.db2.gz PJIHBOVHNSFTTA-NSHDSACASA-N 1 0 383.290 1.479 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1sccc1Br)C1CC[NH+](C)CC1 ZINC000671959139 531860977 /nfs/dbraw/zinc/86/09/77/531860977.db2.gz QZQASBGLDQFQHN-JTQLQIEISA-N 1 0 388.331 1.973 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642724326 531862959 /nfs/dbraw/zinc/86/29/59/531862959.db2.gz BIKFUDHOKYSHFV-RISCZKNCSA-N 1 0 396.285 1.284 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCCc2cc(Br)ccc2F)CC1 ZINC000418924295 531863584 /nfs/dbraw/zinc/86/35/84/531863584.db2.gz OYXKOCUHJMILKN-UHFFFAOYSA-N 1 0 386.265 1.444 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2ccc(OC)c(Br)c2)CC[C@@H]1[NH3+] ZINC000642740768 531863903 /nfs/dbraw/zinc/86/39/03/531863903.db2.gz VKTBSCYTHIUFJN-JSGCOSHPSA-N 1 0 398.301 1.660 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418927476 531864826 /nfs/dbraw/zinc/86/48/26/531864826.db2.gz XBMFVRIIEDJFAX-QWHCGFSZSA-N 1 0 398.276 1.315 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418931244 531865004 /nfs/dbraw/zinc/86/50/04/531865004.db2.gz CAEMDZUENXXYSV-WFASDCNBSA-N 1 0 398.301 1.672 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC000367797889 531865150 /nfs/dbraw/zinc/86/51/50/531865150.db2.gz MZQOYBPFGAAVLR-MFKMUULPSA-N 1 0 375.288 1.830 20 0 GDADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC000563839933 531865224 /nfs/dbraw/zinc/86/52/24/531865224.db2.gz FDJFMXUAEKPJFP-KGLIPLIRSA-N 1 0 387.933 1.997 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418930793 531865258 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CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c1OC ZINC000564970975 531873397 /nfs/dbraw/zinc/87/33/97/531873397.db2.gz ZBYMSAYBEKPVOA-VHSXEESVSA-N 1 0 375.878 1.079 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418970071 531873661 /nfs/dbraw/zinc/87/36/61/531873661.db2.gz KKSGUTCJALIYNB-VHSXEESVSA-N 1 0 394.273 1.137 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(C)c2)C1 ZINC000418983477 531875993 /nfs/dbraw/zinc/87/59/93/531875993.db2.gz CLDDCLXHSNYQIN-CQSZACIVSA-N 1 0 382.302 1.832 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)ccc1Br ZINC000418981708 531876127 /nfs/dbraw/zinc/87/61/27/531876127.db2.gz ACDVOUIGYZOAGG-LBPRGKRZSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000283577480 531876205 /nfs/dbraw/zinc/87/62/05/531876205.db2.gz ORMKBDVRFFFIOW-LBPRGKRZSA-N 1 0 380.286 1.832 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000418997339 531877551 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C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419019874 531881855 /nfs/dbraw/zinc/88/18/55/531881855.db2.gz JTSRXVVOICMKHP-GWCFXTLKSA-N 1 0 382.258 1.209 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419024892 531883495 /nfs/dbraw/zinc/88/34/95/531883495.db2.gz RCYUZWDLOGQCBB-TZMCWYRMSA-N 1 0 396.285 1.729 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000419036033 531884033 /nfs/dbraw/zinc/88/40/33/531884033.db2.gz GEISKZAIIOFMLF-LLVKDONJSA-N 1 0 380.901 1.833 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419031611 531884139 /nfs/dbraw/zinc/88/41/39/531884139.db2.gz AISUMZIYENPYEA-CYBMUJFWSA-N 1 0 384.274 1.505 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419048488 531891676 /nfs/dbraw/zinc/89/16/76/531891676.db2.gz AEKFZGFVUQBORF-JSGCOSHPSA-N 1 0 398.301 1.073 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419052352 531892897 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GDADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368142558 531894524 /nfs/dbraw/zinc/89/45/24/531894524.db2.gz PRIQPVFPMCHELC-WOFXILAISA-N 1 0 383.271 1.827 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419057721 531894973 /nfs/dbraw/zinc/89/49/73/531894973.db2.gz VDTXCKADUAQOEY-NSHDSACASA-N 1 0 376.682 1.818 20 0 GDADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647709655 531895438 /nfs/dbraw/zinc/89/54/38/531895438.db2.gz ZWAIKXIBJHRNGE-VXGBXAGGSA-N 1 0 383.242 1.459 20 0 GDADRO C[C@@H]1[NH2+]CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)[C@H]1C ZINC000567387983 531895505 /nfs/dbraw/zinc/89/55/05/531895505.db2.gz RTGMFXOBGQCESH-QWRGUYRKSA-N 1 0 375.288 1.432 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1sc2c(c1I)CNC2 ZINC000595950373 531896076 /nfs/dbraw/zinc/89/60/76/531896076.db2.gz KZQULNJFHXUFRR-VXNVDRBHSA-N 1 0 391.278 1.684 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419059706 531896335 /nfs/dbraw/zinc/89/63/35/531896335.db2.gz YAEANCSQANSUKI-QWHCGFSZSA-N 1 0 382.302 1.612 20 0 GDADRO O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368145066 531897170 /nfs/dbraw/zinc/89/71/70/531897170.db2.gz XUCJVQPRIYLBHU-NHAGDIPZSA-N 1 0 392.253 1.159 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419080043 531898278 /nfs/dbraw/zinc/89/82/78/531898278.db2.gz OHFOEVJQZIHILL-UHFFFAOYSA-N 1 0 392.297 1.633 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674432356 531898573 /nfs/dbraw/zinc/89/85/73/531898573.db2.gz JNZJJDHKRKNNKW-GMTAPVOTSA-N 1 0 376.345 1.614 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647861458 531898931 /nfs/dbraw/zinc/89/89/31/531898931.db2.gz AZUGXTHXVFRUJQ-WOSRLPQWSA-N 1 0 384.318 1.844 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419084934 531899295 /nfs/dbraw/zinc/89/92/95/531899295.db2.gz ZBRMVUBFQMRRLM-OAHLLOKOSA-N 1 0 394.313 1.807 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000419031657 531884781 /nfs/dbraw/zinc/88/47/81/531884781.db2.gz AOIAOZOMOFCDRE-UHFFFAOYSA-N 1 0 380.901 1.977 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419036365 531884981 /nfs/dbraw/zinc/88/49/81/531884981.db2.gz GJGWSBQVSITVFJ-GXFFZTMASA-N 1 0 382.258 1.339 20 0 GDADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000298446414 531888444 /nfs/dbraw/zinc/88/84/44/531888444.db2.gz XXTUSVFMPXVCRD-IAGOWNOFSA-N 1 0 382.551 1.688 20 0 GDADRO CS[C@@H]1CN(C(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)C[C@H]1[NH+](C)C ZINC000270537790 531889470 /nfs/dbraw/zinc/88/94/70/531889470.db2.gz WSVCUYQXKWFFOP-JHJVBQTASA-N 1 0 386.543 1.547 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566505464 531889484 /nfs/dbraw/zinc/88/94/84/531889484.db2.gz WLALYAQZDZJKSS-RYUDHWBXSA-N 1 0 397.273 1.624 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)C1 ZINC000419044654 531889930 /nfs/dbraw/zinc/88/99/30/531889930.db2.gz UMHAOBNYSZOPPQ-GFCCVEGCSA-N 1 0 386.265 1.662 20 0 GDADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)NCCN1CC[NH2+]CC1 ZINC000419044642 531889979 /nfs/dbraw/zinc/88/99/79/531889979.db2.gz ULLRYQIJFIPDHV-UHFFFAOYSA-N 1 0 387.311 1.064 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419046423 531889996 /nfs/dbraw/zinc/88/99/96/531889996.db2.gz YBLSTLFKPYZNBJ-CYBMUJFWSA-N 1 0 384.274 1.457 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000419046068 531890206 /nfs/dbraw/zinc/89/02/06/531890206.db2.gz XJUQGGUPEJUKLJ-LBPRGKRZSA-N 1 0 394.686 1.995 20 0 GDADRO O=C(NCc1cc(F)ccc1Br)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419158404 531905629 /nfs/dbraw/zinc/90/56/29/531905629.db2.gz MYTQYPVAEVGXHB-CMPLNLGQSA-N 1 0 384.249 1.272 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419159214 531906290 /nfs/dbraw/zinc/90/62/90/531906290.db2.gz NSLLQYJNCFIGJZ-QMMMGPOBSA-N 1 0 396.207 1.795 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1Br ZINC000419162621 531907250 /nfs/dbraw/zinc/90/72/50/531907250.db2.gz HNWRUDSKEYDKPR-BXUZGUMPSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368379814 531907562 /nfs/dbraw/zinc/90/75/62/531907562.db2.gz VMQLXAMZOLFOAC-RISCZKNCSA-N 1 0 391.269 1.369 20 0 GDADRO CN(CC(=O)N[C@H]1CC12CC[NH2+]CC2)C(=O)c1ccc(Br)s1 ZINC000368385971 531907869 /nfs/dbraw/zinc/90/78/69/531907869.db2.gz SIGGCKXMMVANOK-NSHDSACASA-N 1 0 386.315 1.841 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419166828 531908190 /nfs/dbraw/zinc/90/81/90/531908190.db2.gz PUTNUVNITLEVBY-LLVKDONJSA-N 1 0 376.284 1.598 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000419166091 531909159 /nfs/dbraw/zinc/90/91/59/531909159.db2.gz OHRSHKRYBNSIGV-NEPJUHHUSA-N 1 0 388.295 1.822 20 0 GDADRO CS[C@@H]1CN(Cc2nnnn2-c2ccccc2Br)C[C@H]1[NH+](C)C ZINC000270697757 531910864 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QXSDHEDVRUXEAA-CYBMUJFWSA-N 1 0 375.288 1.628 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccc(Br)s1 ZINC000419717389 531960406 /nfs/dbraw/zinc/96/04/06/531960406.db2.gz UXUMKNFWRSIDJN-HBNTYKKESA-N 1 0 386.315 1.756 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000572171556 531961156 /nfs/dbraw/zinc/96/11/56/531961156.db2.gz ASXNOPJHEVWHLS-UHFFFAOYSA-N 1 0 392.319 1.184 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000419734551 531964035 /nfs/dbraw/zinc/96/40/35/531964035.db2.gz VCGPUFYXRAJXHF-SKDRFNHKSA-N 1 0 388.251 1.038 20 0 GDADRO O=C(NCc1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284366813 531953576 /nfs/dbraw/zinc/95/35/76/531953576.db2.gz RALUDQYUQUNOQR-HUUCEWRRSA-N 1 0 380.286 1.808 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457506113 531954565 /nfs/dbraw/zinc/95/45/65/531954565.db2.gz BGJGRPPZAIYTQJ-UHFFFAOYSA-N 1 0 386.283 1.941 20 0 GDADRO CS[C@H]1CN(C(=O)c2cncc(I)c2)C[C@@H]1[NH+](C)C 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IQIHRSYLNXHUMM-GRYCIOLGSA-N 1 0 398.301 1.844 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000271112687 531967643 /nfs/dbraw/zinc/96/76/43/531967643.db2.gz MPFVNYPODJRSEF-CYBMUJFWSA-N 1 0 398.301 1.263 20 0 GDADRO CS(=O)(=O)N1CCC(CC(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CC1 ZINC000655476576 531968264 /nfs/dbraw/zinc/96/82/64/531968264.db2.gz UBQFIZONEFVRLH-UHFFFAOYSA-N 1 0 386.543 1.610 20 0 GDADRO CO[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccccc1Br ZINC000655482429 531968388 /nfs/dbraw/zinc/96/83/88/531968388.db2.gz VHVDDXSWJYVQNH-NUEKZKHPSA-N 1 0 393.285 1.823 20 0 GDADRO COCC[NH2+]CCNC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl ZINC000271119749 531969734 /nfs/dbraw/zinc/96/97/34/531969734.db2.gz JDQWYQBHWWVLJR-HNNXBMFYSA-N 1 0 387.933 1.544 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419786784 531971035 /nfs/dbraw/zinc/97/10/35/531971035.db2.gz ZDMSYTIOYSVLDS-SDDRHHMPSA-N 1 0 396.285 1.313 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000457955500 531971362 /nfs/dbraw/zinc/97/13/62/531971362.db2.gz SZSPYFMRAWOIIJ-UHFFFAOYSA-N 1 0 385.306 1.818 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1cc(F)cc(Br)c1 ZINC000419785958 531971539 /nfs/dbraw/zinc/97/15/39/531971539.db2.gz XQKKTGAKPOSECM-HZMBPMFUSA-N 1 0 386.265 1.963 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419786383 531971574 /nfs/dbraw/zinc/97/15/74/531971574.db2.gz YLMNGFXCDOYMEZ-SUNKGSAMSA-N 1 0 398.301 1.749 20 0 GDADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000628464538 531973100 /nfs/dbraw/zinc/97/31/00/531973100.db2.gz ARYHFSRKNGLWMW-LLVKDONJSA-N 1 0 393.123 1.950 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000572992649 531973595 /nfs/dbraw/zinc/97/35/95/531973595.db2.gz XEMQJZWJWUDWBF-LLVKDONJSA-N 1 0 395.305 1.374 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000419827418 531974841 /nfs/dbraw/zinc/97/48/41/531974841.db2.gz TUKRTEXMYSFJNV-AWEZNQCLSA-N 1 0 382.302 1.663 20 0 GDADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419832125 531975404 /nfs/dbraw/zinc/97/54/04/531975404.db2.gz JDXJFHNTFXEAJD-CYBMUJFWSA-N 1 0 397.317 1.119 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc([S@@](C)=O)cc1 ZINC000573133301 531976136 /nfs/dbraw/zinc/97/61/36/531976136.db2.gz REQNZQZIFXLQPN-FMTLSIPGSA-N 1 0 387.571 1.736 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000419844383 531976189 /nfs/dbraw/zinc/97/61/89/531976189.db2.gz OCAUGMUVYPBUMA-GJZGRUSLSA-N 1 0 380.286 1.981 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419755262 531964529 /nfs/dbraw/zinc/96/45/29/531964529.db2.gz CUJSWVPLAOPBIZ-WCQYABFASA-N 1 0 387.311 1.660 20 0 GDADRO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)Oc1cccc(Br)c1 ZINC000572346982 531964543 /nfs/dbraw/zinc/96/45/43/531964543.db2.gz KZYYXFIVCCDTGQ-DOMZBBRYSA-N 1 0 386.290 1.894 20 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/nfs/dbraw/zinc/98/36/89/531983689.db2.gz RWOWNZXBDBXDAC-DOMZBBRYSA-N 1 0 380.286 1.838 20 0 GDADRO CN(C(=O)C(=O)NCC1C[NH2+]C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000419917591 531985210 /nfs/dbraw/zinc/98/52/10/531985210.db2.gz BLYKHEXISYESHH-ZDUSSCGKSA-N 1 0 398.326 1.780 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)NCC[C@H]1CC[NH2+]C1)CC2 ZINC000419920335 531986591 /nfs/dbraw/zinc/98/65/91/531986591.db2.gz WSYNEIZYCNRKMS-CYBMUJFWSA-N 1 0 394.313 1.758 20 0 GDADRO Cc1ncc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000271235104 531986780 /nfs/dbraw/zinc/98/67/80/531986780.db2.gz WDRVGYAFLONKRP-HZPDHXFCSA-N 1 0 381.523 1.613 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419926268 531987162 /nfs/dbraw/zinc/98/71/62/531987162.db2.gz UOAZPEHQWAPVCQ-LLVKDONJSA-N 1 0 386.265 1.662 20 0 GDADRO Cc1ncc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000271235106 531987511 /nfs/dbraw/zinc/98/75/11/531987511.db2.gz WDRVGYAFLONKRP-JKSUJKDBSA-N 1 0 381.523 1.613 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000419929621 531987768 /nfs/dbraw/zinc/98/77/68/531987768.db2.gz VYGPUCPFIDNAAR-AWEZNQCLSA-N 1 0 384.249 1.587 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000419929622 531987882 /nfs/dbraw/zinc/98/78/82/531987882.db2.gz VYGPUCPFIDNAAR-CQSZACIVSA-N 1 0 384.249 1.587 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000419936484 531988055 /nfs/dbraw/zinc/98/80/55/531988055.db2.gz DNPXDAIFJLUZES-VIFPVBQESA-N 1 0 376.682 1.772 20 0 GDADRO O=S(=O)(CCOCC(F)(F)F)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000657040001 531988502 /nfs/dbraw/zinc/98/85/02/531988502.db2.gz KEHMOBNTKMIRMF-UHFFFAOYSA-N 1 0 388.452 1.376 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000419953478 531989222 /nfs/dbraw/zinc/98/92/22/531989222.db2.gz PNHKOVCWOOHZBB-BXUZGUMPSA-N 1 0 383.290 1.479 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000419950719 531989657 /nfs/dbraw/zinc/98/96/57/531989657.db2.gz HOCRDAFJCJOEDF-HZMBPMFUSA-N 1 0 386.265 1.963 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000419945092 531990061 /nfs/dbraw/zinc/99/00/61/531990061.db2.gz BZEPJVCIXRUMHH-LBPRGKRZSA-N 1 0 380.286 1.776 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)Cc1cc(OC)ccc1Br ZINC000419951771 531990262 /nfs/dbraw/zinc/99/02/62/531990262.db2.gz NVUKMPBEICHYCE-LLVKDONJSA-N 1 0 386.290 1.388 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000419964852 531991411 /nfs/dbraw/zinc/99/14/11/531991411.db2.gz XORMQSSYUBGIQJ-LBPRGKRZSA-N 1 0 382.302 1.866 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000420016392 531996392 /nfs/dbraw/zinc/99/63/92/531996392.db2.gz SJXAGRLVXWQATB-ZWNOBZJWSA-N 1 0 375.416 1.785 20 0 GDADRO C[NH+](C)CCCCNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000299521289 531997015 /nfs/dbraw/zinc/99/70/15/531997015.db2.gz LGXXBULQHFJBAB-UHFFFAOYSA-N 1 0 377.304 1.924 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000420035627 531997427 /nfs/dbraw/zinc/99/74/27/531997427.db2.gz ZEFFXIJJPBYHDT-AMIZOPFISA-N 1 0 378.231 1.496 20 0 GDADRO COCCN(Cc1ccc(Br)s1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420040814 531999293 /nfs/dbraw/zinc/99/92/93/531999293.db2.gz AVBYPMDYBOBLBF-UHFFFAOYSA-N 1 0 392.319 1.339 20 0 GDADRO CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1CCOc2ccc(Br)cc21 ZINC000420046469 531999508 /nfs/dbraw/zinc/99/95/08/531999508.db2.gz AOGMOGWZUMVFGC-LBPRGKRZSA-N 1 0 384.274 1.585 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)ccc1Cl ZINC000631098045 531999741 /nfs/dbraw/zinc/99/97/41/531999741.db2.gz JHPQTILDDNFQJK-NSHDSACASA-N 1 0 399.822 1.630 20 0 GDADRO CCc1ncc(S(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657087310 531999979 /nfs/dbraw/zinc/99/99/79/531999979.db2.gz XZQYRTRHZIUGOB-HNNXBMFYSA-N 1 0 381.523 1.751 20 0 GDADRO COC(=O)c1cn(CC[NH2+]Cc2ccc(Br)c(F)c2F)nn1 ZINC000598978121 532001947 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C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420141357 532006355 /nfs/dbraw/zinc/00/63/55/532006355.db2.gz RJZZPUVBBMBMOA-GFCCVEGCSA-N 1 0 392.297 1.758 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000420181363 532007512 /nfs/dbraw/zinc/00/75/12/532007512.db2.gz HUVPGRGSPPZQBG-LBPRGKRZSA-N 1 0 398.301 1.075 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000420174012 532007769 /nfs/dbraw/zinc/00/77/69/532007769.db2.gz WGIJEHXZWIVTNG-YGRLFVJLSA-N 1 0 386.265 1.803 20 0 GDADRO Cn1nnc2cc(C[NH2+]CCNC(=O)c3ccc(Br)cn3)ccc21 ZINC000657563368 532010144 /nfs/dbraw/zinc/01/01/44/532010144.db2.gz NGLZKYNPNSGLIB-UHFFFAOYSA-N 1 0 389.257 1.645 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000632143413 532011283 /nfs/dbraw/zinc/01/12/83/532011283.db2.gz UZMRIVVATYPURH-CQSZACIVSA-N 1 0 382.448 1.728 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000632143412 532011328 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GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372947069 532055350 /nfs/dbraw/zinc/05/53/50/532055350.db2.gz IPXRTHPLCUYNCG-ABAIWWIYSA-N 1 0 391.269 1.369 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)O1 ZINC000634709230 532055818 /nfs/dbraw/zinc/05/58/18/532055818.db2.gz GKOPCKQWCUJKJC-YCPHGPKFSA-N 1 0 391.295 1.959 20 0 GDADRO O=S(=O)(NCC[NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccc(F)cc1Cl ZINC000634979820 532057172 /nfs/dbraw/zinc/05/71/72/532057172.db2.gz PBFRPUIKALYQCP-LBPRGKRZSA-N 1 0 398.909 1.314 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)s1 ZINC000634956315 532057371 /nfs/dbraw/zinc/05/73/71/532057371.db2.gz FNZDSONVJKYUCP-ZDUSSCGKSA-N 1 0 394.584 1.836 20 0 GDADRO CC[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC1 ZINC000634708134 532056279 /nfs/dbraw/zinc/05/62/79/532056279.db2.gz QNQBRPDJKYOOOY-GOEBONIOSA-N 1 0 391.295 1.960 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(Cc2ccccc2I)nn1 ZINC000600970711 532056345 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CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000331550034 532149078 /nfs/dbraw/zinc/14/90/78/532149078.db2.gz QVTPSHGDERXJFL-JSGCOSHPSA-N 1 0 398.301 1.943 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccncc2I)CCO1 ZINC000273695949 532165844 /nfs/dbraw/zinc/16/58/44/532165844.db2.gz HXOWIBVBAJXTHB-JTQLQIEISA-N 1 0 390.225 1.481 20 0 GDADRO Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000273708405 532166216 /nfs/dbraw/zinc/16/62/16/532166216.db2.gz FRXXJWWRGFYNTM-UHFFFAOYSA-N 1 0 375.491 1.180 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)c1Br ZINC000426318370 532167204 /nfs/dbraw/zinc/16/72/04/532167204.db2.gz JLMQWWSCDFGYTO-SNVBAGLBSA-N 1 0 398.257 1.385 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000332177601 532168497 /nfs/dbraw/zinc/16/84/97/532168497.db2.gz DBIYIKIITUWEMX-UHFFFAOYSA-N 1 0 381.274 1.796 20 0 GDADRO CC[N@H+](CCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)CCC(F)(F)F ZINC000427208434 532177960 /nfs/dbraw/zinc/17/79/60/532177960.db2.gz FHVRYLJZLXWXOB-CYBMUJFWSA-N 1 0 387.468 1.439 20 0 GDADRO Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000375713283 532180185 /nfs/dbraw/zinc/18/01/85/532180185.db2.gz BURMOMQKQUFNSN-CYBMUJFWSA-N 1 0 384.527 1.009 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)[C@H](C)C[NH2+]1 ZINC000332320663 532180851 /nfs/dbraw/zinc/18/08/51/532180851.db2.gz ZIFGWQDHJWWIGE-NXEZZACHSA-N 1 0 384.249 1.686 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc(I)c2)CCCO1 ZINC000332369668 532183206 /nfs/dbraw/zinc/18/32/06/532183206.db2.gz ZEVZSJOYKRKFHH-GFCCVEGCSA-N 1 0 375.210 1.873 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000286736261 532171751 /nfs/dbraw/zinc/17/17/51/532171751.db2.gz CNGKQGPDQQEYIQ-ZDUSSCGKSA-N 1 0 390.347 1.504 20 0 GDADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Cn2cc(Br)cn2)cc1 ZINC000426894138 532172308 /nfs/dbraw/zinc/17/23/08/532172308.db2.gz NEOPXHMZILKUFA-AWEZNQCLSA-N 1 0 397.273 1.586 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)CCCO1 ZINC000332234551 532173316 /nfs/dbraw/zinc/17/33/16/532173316.db2.gz QLKBPLTVSFZXBF-SNVBAGLBSA-N 1 0 383.695 1.841 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000332254056 532174965 /nfs/dbraw/zinc/17/49/65/532174965.db2.gz ASFROHUVCDSEKC-CQSZACIVSA-N 1 0 398.305 1.149 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)s1 ZINC000427162194 532176872 /nfs/dbraw/zinc/17/68/72/532176872.db2.gz JJLSULNBTSDQCD-CYBMUJFWSA-N 1 0 387.527 1.113 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cnc(Cl)c(F)c3)C2)CC1 ZINC000287031676 532191262 /nfs/dbraw/zinc/19/12/62/532191262.db2.gz VPDHFOXVGLKRNO-GFCCVEGCSA-N 1 0 376.885 1.275 20 0 GDADRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1nc2ncc(Br)cn2n1 ZINC000375977707 532191285 /nfs/dbraw/zinc/19/12/85/532191285.db2.gz YYPVFVKLHSPTMG-CYBMUJFWSA-N 1 0 387.241 1.504 20 0 GDADRO Nc1c(Br)cc(Br)cc1C[N@H+](CCO)CCCO ZINC000274182541 532192635 /nfs/dbraw/zinc/19/26/35/532192635.db2.gz GDBNTZCFAQWPOS-UHFFFAOYSA-N 1 0 382.096 1.971 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC[C@H]1[NH3+] ZINC000332562350 532195134 /nfs/dbraw/zinc/19/51/34/532195134.db2.gz VSRPXJAKCUUWLS-SMDDNHRTSA-N 1 0 398.305 1.882 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000287127204 532197217 /nfs/dbraw/zinc/19/72/17/532197217.db2.gz OMIAOHMVSHOKDZ-FUNVUKJBSA-N 1 0 386.543 1.423 20 0 GDADRO CC[NH+]1CCN(CC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000428057993 532197837 /nfs/dbraw/zinc/19/78/37/532197837.db2.gz WYCNYJZUKAQJIJ-INIZCTEOSA-N 1 0 395.345 1.782 20 0 GDADRO CCc1nn(C)c(Cl)c1CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376164118 532198064 /nfs/dbraw/zinc/19/80/64/532198064.db2.gz DGEVYNIDXZSNFN-ZDUSSCGKSA-N 1 0 390.937 1.262 20 0 GDADRO NS(=O)(=O)c1cnc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000376198780 532198887 /nfs/dbraw/zinc/19/88/87/532198887.db2.gz PPVISUFJPDISKE-QGZVFWFLSA-N 1 0 378.523 1.893 20 0 GDADRO O=S(=O)(Cc1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000376246968 532200752 /nfs/dbraw/zinc/20/07/52/532200752.db2.gz IZVAKIDWSMUWCJ-GJZGRUSLSA-N 1 0 389.315 1.732 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000427599335 532186517 /nfs/dbraw/zinc/18/65/17/532186517.db2.gz OEJOOCCKUUUHKZ-PRHODGIISA-N 1 0 384.221 1.895 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000332458168 532187225 /nfs/dbraw/zinc/18/72/25/532187225.db2.gz GXXSBCRJRKCMQJ-WBMJQRKESA-N 1 0 394.313 1.756 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000332458162 532187363 /nfs/dbraw/zinc/18/73/63/532187363.db2.gz GXXSBCRJRKCMQJ-BLLLJJGKSA-N 1 0 394.313 1.756 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000332464520 532188490 /nfs/dbraw/zinc/18/84/90/532188490.db2.gz IQDVJEFCIPOCQI-ZUZCIYMTSA-N 1 0 398.276 1.587 20 0 GDADRO Cn1ncc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1Br ZINC000274148138 532188987 /nfs/dbraw/zinc/18/89/87/532188987.db2.gz FMPGYSRVRREBIT-UHFFFAOYSA-N 1 0 384.322 1.282 20 0 GDADRO Cc1nn(C)c(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1Br ZINC000375922216 532189150 /nfs/dbraw/zinc/18/91/50/532189150.db2.gz YGAZPRWBOLHXKN-BONVTDFDSA-N 1 0 384.278 1.301 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)CC[NH2+]1 ZINC000332478155 532189362 /nfs/dbraw/zinc/18/93/62/532189362.db2.gz LQRMHSFQGCJUDP-ZWNOBZJWSA-N 1 0 398.276 1.730 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000332492545 532189617 /nfs/dbraw/zinc/18/96/17/532189617.db2.gz PAUUMPYNDLMYNF-GJZGRUSLSA-N 1 0 380.286 1.720 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000332504060 532190815 /nfs/dbraw/zinc/19/08/15/532190815.db2.gz SBEISQCJNPHPJY-BONVTDFDSA-N 1 0 398.276 1.730 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000332771798 532209282 /nfs/dbraw/zinc/20/92/82/532209282.db2.gz COKRGJSLPBLNTL-LSDHHAIUSA-N 1 0 385.555 1.892 20 0 GDADRO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H](C)C[NH3+] ZINC000274428425 532210292 /nfs/dbraw/zinc/21/02/92/532210292.db2.gz NGGFBBXDRLSAMG-BXUZGUMPSA-N 1 0 385.306 1.880 20 0 GDADRO COc1ccc(C[NH2+]CCNS(=O)(=O)NC(C)C)cc1Br ZINC000428563852 532210713 /nfs/dbraw/zinc/21/07/13/532210713.db2.gz WCNICHKYVBOKSS-UHFFFAOYSA-N 1 0 380.308 1.380 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)s1 ZINC000428555811 532210866 /nfs/dbraw/zinc/21/08/66/532210866.db2.gz ZSXUQVDLRUKZHW-ZDUSSCGKSA-N 1 0 381.479 1.214 20 0 GDADRO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C)C[NH3+] ZINC000274474139 532213013 /nfs/dbraw/zinc/21/30/13/532213013.db2.gz YJBALBULOWWBGQ-MFKMUULPSA-N 1 0 388.331 1.764 20 0 GDADRO O=C1C[C@]2(CC[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)CN1 ZINC000333017724 532214519 /nfs/dbraw/zinc/21/45/19/532214519.db2.gz HJWLZXHMHOQYJW-XJKSGUPXSA-N 1 0 387.249 1.540 20 0 GDADRO CN(CCc1cccc(Br)c1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000428760591 532216438 /nfs/dbraw/zinc/21/64/38/532216438.db2.gz AIKAOZMBNNZZEJ-OAHLLOKOSA-N 1 0 396.329 1.860 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000287231205 532203205 /nfs/dbraw/zinc/20/32/05/532203205.db2.gz QOXGKNMBJIHJQX-NSHDSACASA-N 1 0 386.294 1.752 20 0 GDADRO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000376746825 532227346 /nfs/dbraw/zinc/22/73/46/532227346.db2.gz DQPDNVMHBDMULK-CQSZACIVSA-N 1 0 379.404 1.787 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)C1 ZINC000429405343 532228344 /nfs/dbraw/zinc/22/83/44/532228344.db2.gz HQMRHKNMOOCKQT-DZGCQCFKSA-N 1 0 376.316 1.767 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333336875 532230159 /nfs/dbraw/zinc/23/01/59/532230159.db2.gz XFCAJRIFKATDNP-UHFFFAOYSA-N 1 0 375.288 1.974 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NCc1ccccc1Cl ZINC000429718026 532232603 /nfs/dbraw/zinc/23/26/03/532232603.db2.gz MNKZTSGHWNBSPE-RCBQFDQVSA-N 1 0 387.933 1.795 20 0 GDADRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000333150066 532222380 /nfs/dbraw/zinc/22/23/80/532222380.db2.gz AMDVYAMBSSGXCP-INIZCTEOSA-N 1 0 394.603 1.727 20 0 GDADRO C[C@@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[C@@H]1[NH3+] ZINC000429137701 532223608 /nfs/dbraw/zinc/22/36/08/532223608.db2.gz BVZGINAJOPMQHD-MFKMUULPSA-N 1 0 379.258 1.355 20 0 GDADRO C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000429138783 532224000 /nfs/dbraw/zinc/22/40/00/532224000.db2.gz DKBBMQVFYPZMBD-BXUZGUMPSA-N 1 0 389.315 1.560 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000287568598 532224416 /nfs/dbraw/zinc/22/44/16/532224416.db2.gz BSDARTMHWDLPLN-KGLIPLIRSA-N 1 0 386.543 1.295 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000287577537 532225332 /nfs/dbraw/zinc/22/53/32/532225332.db2.gz GDEDFKATKDQRLC-SNVBAGLBSA-N 1 0 378.420 1.578 20 0 GDADRO C[C@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(Br)cn1 ZINC000333613060 532242005 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CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000333701263 532245705 /nfs/dbraw/zinc/24/57/05/532245705.db2.gz DYKMSBSBDZJYOA-GJZGRUSLSA-N 1 0 385.555 1.842 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000333764078 532249386 /nfs/dbraw/zinc/24/93/86/532249386.db2.gz AXSJMRZQTTUJRM-CQSZACIVSA-N 1 0 386.905 1.108 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000333792292 532249981 /nfs/dbraw/zinc/24/99/81/532249981.db2.gz GKETVAORRKICDC-ZJUUUORDSA-N 1 0 378.424 1.529 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000333824684 532251725 /nfs/dbraw/zinc/25/17/25/532251725.db2.gz LKGNSPUKNHHBDY-ZDUSSCGKSA-N 1 0 388.299 1.599 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000275005234 532252337 /nfs/dbraw/zinc/25/23/37/532252337.db2.gz QXHLDUQOJQUGHN-GFCCVEGCSA-N 1 0 399.333 1.917 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000287947215 532252543 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COc1ccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c(Br)c1 ZINC000377409508 532258698 /nfs/dbraw/zinc/25/86/98/532258698.db2.gz IGHFZSAXYSDXQZ-MRXNPFEDSA-N 1 0 398.345 1.954 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000377766733 532272262 /nfs/dbraw/zinc/27/22/62/532272262.db2.gz LPTNCBFHNGZRAX-MRXNPFEDSA-N 1 0 375.922 1.058 20 0 GDADRO CC[NH+](CC)CCCNC(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000288213189 532272395 /nfs/dbraw/zinc/27/23/95/532272395.db2.gz SGSZNOAUOICYDX-UHFFFAOYSA-N 1 0 380.436 1.669 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000377682566 532269263 /nfs/dbraw/zinc/26/92/63/532269263.db2.gz YTQHCEYGZBOWDW-IRXDYDNUSA-N 1 0 389.949 1.631 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000288293270 532280159 /nfs/dbraw/zinc/28/01/59/532280159.db2.gz VXMMHKPBBXEKIV-LBPRGKRZSA-N 1 0 384.933 1.898 20 0 GDADRO OCC[N@@H+]1CCCN(c2ncc(Cn3cc(Br)cn3)s2)CC1 ZINC000275354448 532289280 /nfs/dbraw/zinc/28/92/80/532289280.db2.gz 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CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(I)c(Cl)c1 ZINC000394080574 532301526 /nfs/dbraw/zinc/30/15/26/532301526.db2.gz HKILYXFFWRTNKN-JTQLQIEISA-N 1 0 393.656 1.578 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000275623370 532303326 /nfs/dbraw/zinc/30/33/26/532303326.db2.gz VCRLFPNWXSWHHF-UHFFFAOYSA-N 1 0 389.543 1.091 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000275621443 532303429 /nfs/dbraw/zinc/30/34/29/532303429.db2.gz OPAYGFRHOXHRTA-UHFFFAOYSA-N 1 0 389.543 1.042 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccnc1Br ZINC000289164974 532316992 /nfs/dbraw/zinc/31/69/92/532316992.db2.gz SHAKLGUQLNGQKK-NWDGAFQWSA-N 1 0 381.274 1.868 20 0 GDADRO Cc1cccc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1Br ZINC000276059097 532318477 /nfs/dbraw/zinc/31/84/77/532318477.db2.gz BMXDQUPQZUUMOZ-AWEZNQCLSA-N 1 0 397.317 1.897 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000289214132 532318533 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O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289328452 532321510 /nfs/dbraw/zinc/32/15/10/532321510.db2.gz VJJBVHWZRGMNCO-RHSMWYFYSA-N 1 0 383.539 1.503 20 0 GDADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000289498202 532326360 /nfs/dbraw/zinc/32/63/60/532326360.db2.gz JRDVCNDXTOLDCT-UHFFFAOYSA-N 1 0 390.527 1.656 20 0 GDADRO Cn1cc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)nn1 ZINC000289524655 532326797 /nfs/dbraw/zinc/32/67/97/532326797.db2.gz DKRSOZHPEMIWTJ-UHFFFAOYSA-N 1 0 379.262 1.582 20 0 GDADRO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289525785 532327160 /nfs/dbraw/zinc/32/71/60/532327160.db2.gz AXZOCWLYZVWMKK-MJBXVCDLSA-N 1 0 392.297 1.870 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000276399953 532328571 /nfs/dbraw/zinc/32/85/71/532328571.db2.gz ABJARVIAXBVUDI-UHFFFAOYSA-N 1 0 381.420 1.153 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000289748572 532331544 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CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCO[C@@H]3C)CC2)cc1 ZINC000359977367 209208543 /nfs/dbraw/zinc/20/85/43/209208543.db2.gz KODYQEIVGFQKSX-ACJLOTCBSA-N 1 0 381.498 1.565 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 ZINC000359940385 209206247 /nfs/dbraw/zinc/20/62/47/209206247.db2.gz GNJDJZSORKBPJV-GOSISDBHSA-N 1 0 397.479 1.110 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(I)cc1 ZINC000098096532 211380520 /nfs/dbraw/zinc/38/05/20/211380520.db2.gz BNTBSSRKHONBDU-NSHDSACASA-N 1 0 382.267 1.943 20 0 GDADRO C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000632231651 450591621 /nfs/dbraw/zinc/59/16/21/450591621.db2.gz AFBXUAFFJNWZEY-UHFFFAOYSA-N 1 0 375.922 1.692 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736295627 598827461 /nfs/dbraw/zinc/82/74/61/598827461.db2.gz VQKOBMBGDVOGON-OLMNPRSZSA-N 1 0 381.484 1.531 20 0 GDADRO COC(=O)[C@H]1CC12CC[NH+]([C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)CC2 ZINC000736909570 598873009 /nfs/dbraw/zinc/87/30/09/598873009.db2.gz QWLRGEVYTWQKAG-GXTWGEPZSA-N 1 0 384.440 1.469 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736859686 598874866 /nfs/dbraw/zinc/87/48/66/598874866.db2.gz HCPZJHOUHUKWSN-UONOGXRCSA-N 1 0 380.449 1.253 20 0 GDADRO Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)c(C[NH+](C)C)c1 ZINC000737358092 598878598 /nfs/dbraw/zinc/87/85/98/598878598.db2.gz XKNVSDSXQDSBDE-UHFFFAOYSA-N 1 0 393.451 1.605 20 0 GDADRO C[C@H](NC(C)(C)C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736133774 598885938 /nfs/dbraw/zinc/88/59/38/598885938.db2.gz SFYWJXFUOMGUKQ-GJZGRUSLSA-N 1 0 395.515 1.824 20 0 GDADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738392426 598888089 /nfs/dbraw/zinc/88/80/89/598888089.db2.gz DCZDKBJAOWABRF-VQTJNVASSA-N 1 0 378.480 1.839 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000737295958 598952788 /nfs/dbraw/zinc/95/27/88/598952788.db2.gz 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599282551 /nfs/dbraw/zinc/28/25/51/599282551.db2.gz PGAUFWBMIZTNFW-SECBINFHSA-N 1 0 377.836 1.058 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736226705 598267233 /nfs/dbraw/zinc/26/72/33/598267233.db2.gz XQLHHUGUIZPHRE-STQMWFEESA-N 1 0 393.517 1.297 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC000736994869 598274184 /nfs/dbraw/zinc/27/41/84/598274184.db2.gz MVSYKBYGRKFHLJ-UHFFFAOYSA-N 1 0 387.444 1.209 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)NCCSCc1ccccc1-c1nn[nH]n1 ZINC000735857529 598301578 /nfs/dbraw/zinc/30/15/78/598301578.db2.gz UHPSQWBSZNFGSI-UHFFFAOYSA-N 1 0 377.518 1.739 20 0 GDADRO COCC[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736975371 598304474 /nfs/dbraw/zinc/30/44/74/598304474.db2.gz BBXRRZJUTXLTHB-AWEZNQCLSA-N 1 0 375.477 1.365 20 0 GDADRO C[NH+]1CCN(CCCNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736865207 598318888 /nfs/dbraw/zinc/31/88/88/598318888.db2.gz WQYMEYOORSMFIE-UHFFFAOYSA-N 1 0 394.936 1.444 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)Cc1ccccc1 ZINC000736757532 598326024 /nfs/dbraw/zinc/32/60/24/598326024.db2.gz BTELJEOPHWSDHH-QGZVFWFLSA-N 1 0 397.458 1.978 20 0 GDADRO C[C@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736264182 598334566 /nfs/dbraw/zinc/33/45/66/598334566.db2.gz CCUYCXNMKDHTDG-AWEZNQCLSA-N 1 0 383.456 1.710 20 0 GDADRO c1cnnc(N2CCC[N@@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000738447619 598342439 /nfs/dbraw/zinc/34/24/39/598342439.db2.gz IKLFYMRTRCFBDE-UHFFFAOYSA-N 1 0 380.456 1.638 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737843858 598351885 /nfs/dbraw/zinc/35/18/85/598351885.db2.gz NGSHEHFCQBNQED-GFCCVEGCSA-N 1 0 387.473 1.261 20 0 GDADRO O=C(CC[NH+]1CCC(Cn2cccn2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737839406 598353805 /nfs/dbraw/zinc/35/38/05/598353805.db2.gz RQAGDURUZLFVCX-UHFFFAOYSA-N 1 0 380.456 1.804 20 0 GDADRO Cc1cnn([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737446137 598355802 /nfs/dbraw/zinc/35/58/02/598355802.db2.gz WMXHZMVNRXFNTG-IAGOWNOFSA-N 1 0 383.456 1.448 20 0 GDADRO O=C(CC[NH+]1CCC(Nc2cccnn2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737838916 598365022 /nfs/dbraw/zinc/36/50/22/598365022.db2.gz OZPHISYYVIHQAC-UHFFFAOYSA-N 1 0 393.455 1.562 20 0 GDADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)C1CCN(CCn2cccn2)CC1 ZINC000736801839 598366494 /nfs/dbraw/zinc/36/64/94/598366494.db2.gz LXBSLRFKKHKQBK-UHFFFAOYSA-N 1 0 396.499 1.538 20 0 GDADRO Cc1nc(CN2CCC[C@@H]([N@H+](C)CCOc3ccccc3-c3nn[nH]n3)C2)no1 ZINC000737478442 598367329 /nfs/dbraw/zinc/36/73/29/598367329.db2.gz SCHDGIQOZMYBEO-OAHLLOKOSA-N 1 0 398.471 1.533 20 0 GDADRO Cc1nc(C)n([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737473905 598367884 /nfs/dbraw/zinc/36/78/84/598367884.db2.gz NAQDKUSIIHZUBE-QGZVFWFLSA-N 1 0 395.471 1.741 20 0 GDADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000735660803 598375098 /nfs/dbraw/zinc/37/50/98/598375098.db2.gz PIYMLPAGRKJDAQ-KBPBESRZSA-N 1 0 388.476 1.408 20 0 GDADRO C[C@H](O)C[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736146579 598376851 /nfs/dbraw/zinc/37/68/51/598376851.db2.gz IGSSLPCZPQGKIL-YOEHRIQHSA-N 1 0 375.473 1.622 20 0 GDADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000736766826 598383422 /nfs/dbraw/zinc/38/34/22/598383422.db2.gz FPIARDDVNLQBSW-UHFFFAOYSA-N 1 0 393.495 1.912 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)c1ccc(F)cc1 ZINC000736768170 598389724 /nfs/dbraw/zinc/38/97/24/598389724.db2.gz XDSHFRVORYUCGL-UHFFFAOYSA-N 1 0 396.426 1.779 20 0 GDADRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736142451 598404613 /nfs/dbraw/zinc/40/46/13/598404613.db2.gz OKYHFKFOSGYAGP-AAEUAGOBSA-N 1 0 390.513 1.981 20 0 GDADRO CCC[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCCO1 ZINC000736471197 598405033 /nfs/dbraw/zinc/40/50/33/598405033.db2.gz SYCMQEMUDYXHGG-FUHWJXTLSA-N 1 0 375.473 1.888 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736980205 598408158 /nfs/dbraw/zinc/40/81/58/598408158.db2.gz ARWWLJWHQHEMQE-AWEZNQCLSA-N 1 0 388.472 1.251 20 0 GDADRO C[N@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C(C1CC1)C1CC1 ZINC000736814964 598423023 /nfs/dbraw/zinc/42/30/23/598423023.db2.gz NTFIOEYXNUXCJO-FQEVSTJZSA-N 1 0 395.467 1.712 20 0 GDADRO CC[NH+]1CCC(n2nccc2NC(=O)COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736569741 598453575 /nfs/dbraw/zinc/45/35/75/598453575.db2.gz IQTDGIUPFVUMMR-UHFFFAOYSA-N 1 0 396.455 1.738 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000735628431 598471213 /nfs/dbraw/zinc/47/12/13/598471213.db2.gz UFLLULIKUJJKAC-ZDUSSCGKSA-N 1 0 399.459 1.399 20 0 GDADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736963916 598471975 /nfs/dbraw/zinc/47/19/75/598471975.db2.gz YADGKCHKXMIBMR-UHFFFAOYSA-N 1 0 394.501 1.034 20 0 GDADRO C[NH+]1CCN(C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)c2ccccc2)CC1 ZINC000736864137 598499913 /nfs/dbraw/zinc/49/99/13/598499913.db2.gz PQHPPEJMIJSYHF-IBGZPJMESA-N 1 0 391.479 1.585 20 0 GDADRO Clc1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)c(-c2nn[nH]n2)c1 ZINC000737574826 598508089 /nfs/dbraw/zinc/50/80/89/598508089.db2.gz QHCMFOSGDRTNPH-UHFFFAOYSA-N 1 0 399.890 1.934 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000738332510 598509387 /nfs/dbraw/zinc/50/93/87/598509387.db2.gz ZUSWQHUEMANTMY-QGZVFWFLSA-N 1 0 390.513 1.647 20 0 GDADRO FC(F)Oc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737638662 598520812 /nfs/dbraw/zinc/52/08/12/598520812.db2.gz JCFPSPZHNLIKGZ-SNVBAGLBSA-N 1 0 376.371 1.496 20 0 GDADRO O=C1CCCN1c1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000738304530 598522085 /nfs/dbraw/zinc/52/20/85/598522085.db2.gz NTRJGMDXKRRZTC-AWEZNQCLSA-N 1 0 393.455 1.022 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737073083 598524874 /nfs/dbraw/zinc/52/48/74/598524874.db2.gz 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O=C1NCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000738316239 598562514 /nfs/dbraw/zinc/56/25/14/598562514.db2.gz QJZWKBROODTKRY-SFHVURJKSA-N 1 0 378.436 1.814 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265424 598594993 /nfs/dbraw/zinc/59/49/93/598594993.db2.gz JODCWRRONRABCS-QAPCUYQASA-N 1 0 383.500 1.684 20 0 GDADRO CN1CCN(C(=O)CC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000736857317 598620084 /nfs/dbraw/zinc/62/00/84/598620084.db2.gz QHUOEOZKPQFAOY-UHFFFAOYSA-N 1 0 383.500 1.243 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000738163155 598639487 /nfs/dbraw/zinc/63/94/87/598639487.db2.gz OWYLRGUPNKPIEX-UHFFFAOYSA-N 1 0 387.419 1.031 20 0 GDADRO O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000738353729 598695373 /nfs/dbraw/zinc/69/53/73/598695373.db2.gz FYSSVQNXNFKGAP-ZDUSSCGKSA-N 1 0 394.476 1.645 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736568877 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GDADRO CC(C)n1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000735961620 598803657 /nfs/dbraw/zinc/80/36/57/598803657.db2.gz SWSSEEFBIOHJSY-UHFFFAOYSA-N 1 0 382.472 1.848 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCc1ccncc1 ZINC000736767221 598817568 /nfs/dbraw/zinc/81/75/68/598817568.db2.gz OHRYSMLJVFIWQD-UHFFFAOYSA-N 1 0 379.468 1.785 20 0 GDADRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736522474 598818860 /nfs/dbraw/zinc/81/88/60/598818860.db2.gz LEKRUJOFTZEOJX-MRXNPFEDSA-N 1 0 385.472 1.528 20 0 GDADRO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736129384 599299975 /nfs/dbraw/zinc/29/99/75/599299975.db2.gz DNOFIQJJMPAAKC-ZDUSSCGKSA-N 1 0 378.502 1.720 20 0 GDADRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736410460 599300781 /nfs/dbraw/zinc/30/07/81/599300781.db2.gz NWIXXZAXUJOXIL-DXCKQFNASA-N 1 0 385.472 1.430 20 0 GDADRO C[C@H]1CCCN1C(=O)CC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 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OWDPTHJZEJUMFP-GOSISDBHSA-N 1 0 383.500 1.433 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821188582 599590384 /nfs/dbraw/zinc/59/03/84/599590384.db2.gz AKJLLLIZLWAFPT-ZDUSSCGKSA-N 1 0 377.518 1.921 20 0 GDADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736771710 599594063 /nfs/dbraw/zinc/59/40/63/599594063.db2.gz OFHKQZWENUSLEG-UHFFFAOYSA-N 1 0 387.469 1.144 20 0 GDADRO COC(=O)CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC000821661758 599594857 /nfs/dbraw/zinc/59/48/57/599594857.db2.gz XAYIUBJOBRCBOD-UHFFFAOYSA-N 1 0 375.429 1.290 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1-c1nn[nH]n1 ZINC000822319835 599601824 /nfs/dbraw/zinc/60/18/24/599601824.db2.gz ZMNZHIJFIGMZNO-RNODOKPDSA-N 1 0 399.499 1.740 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[nH]n1 ZINC000820979779 599605079 /nfs/dbraw/zinc/60/50/79/599605079.db2.gz JWGNTLRTLBMFMS-AWEZNQCLSA-N 1 0 385.472 1.494 20 0 GDADRO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738041246 599605101 /nfs/dbraw/zinc/60/51/01/599605101.db2.gz YSWWINHSOZFODH-QGZVFWFLSA-N 1 0 397.483 1.073 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[nH]n2)C1 ZINC000821180277 599615812 /nfs/dbraw/zinc/61/58/12/599615812.db2.gz BBNONEYEKIYOPQ-CQSZACIVSA-N 1 0 385.472 1.304 20 0 GDADRO COCCOC[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000821692342 599642876 /nfs/dbraw/zinc/64/28/76/599642876.db2.gz VKROZBYUPKATKA-GFCCVEGCSA-N 1 0 394.863 1.444 20 0 GDADRO C[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC[N@@H+]1C ZINC000820659473 599674059 /nfs/dbraw/zinc/67/40/59/599674059.db2.gz XVSZWYMDHGNWAU-XJKSGUPXSA-N 1 0 399.503 1.012 20 0 GDADRO Cc1[nH]c(C(=O)[C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)c1C(=O)[O-] ZINC000738231485 599963026 /nfs/dbraw/zinc/96/30/26/599963026.db2.gz ZZICQSGLQALCFN-SWLSCSKDSA-N 1 0 379.501 1.926 20 0 GDADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824777587 607430045 /nfs/dbraw/zinc/43/00/45/607430045.db2.gz KHNPXYPUIYCYHU-CYBMUJFWSA-N 1 0 378.440 1.612 20 0 GDADRO CC(=O)N1CCCN([C@@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)cs3)C[C@H]2C)CC1 ZINC000819797133 607444313 /nfs/dbraw/zinc/44/43/13/607444313.db2.gz SSHWIGSSUUGEGR-CXAGYDPISA-N 1 0 389.529 1.303 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC000737359293 600551625 /nfs/dbraw/zinc/55/16/25/600551625.db2.gz BMMCCPJSJNITKD-INIZCTEOSA-N 1 0 389.500 1.309 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000826156327 607455620 /nfs/dbraw/zinc/45/56/20/607455620.db2.gz YJSRTTZOVJUTMH-UHFFFAOYSA-N 1 0 399.499 1.656 20 0 GDADRO C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1c1nccn2cnnc12 ZINC000824985594 607470810 /nfs/dbraw/zinc/47/08/10/607470810.db2.gz XWKJWIKEZXMPGO-CYBMUJFWSA-N 1 0 376.428 1.015 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCn2cncc2C1 ZINC000825865775 607471310 /nfs/dbraw/zinc/47/13/10/607471310.db2.gz KJJMXWRBFZZLQD-QGZVFWFLSA-N 1 0 394.483 1.216 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)CC1 ZINC000824297555 607472252 /nfs/dbraw/zinc/47/22/52/607472252.db2.gz WQYHFFLRZOZCLQ-UHFFFAOYSA-N 1 0 387.507 1.996 20 0 GDADRO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000823715848 607482750 /nfs/dbraw/zinc/48/27/50/607482750.db2.gz XEWSYSSNQWSQRQ-QUCCMNQESA-N 1 0 396.470 1.978 20 0 GDADRO O=C([O-])[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000262663881 601033500 /nfs/dbraw/zinc/03/35/00/601033500.db2.gz MREWNQOALDHBTP-INIZCTEOSA-N 1 0 377.510 1.971 20 0 GDADRO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820995344 607485538 /nfs/dbraw/zinc/48/55/38/607485538.db2.gz PWFQDCFQDZYODI-XHDPSFHLSA-N 1 0 382.465 1.156 20 0 GDADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cccc(-c4nn[nH]n4)c3)nc2)C1 ZINC000821583241 607506090 /nfs/dbraw/zinc/50/60/90/607506090.db2.gz NLCYEGNKXKGOMQ-INIZCTEOSA-N 1 0 378.440 1.654 20 0 GDADRO COCCC1(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000821685514 607506304 /nfs/dbraw/zinc/50/63/04/607506304.db2.gz GUFBBUXJSCNCBP-UHFFFAOYSA-N 1 0 384.484 1.718 20 0 GDADRO COC[C@@](C)(CC(=O)[O-])[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000831573637 601488295 /nfs/dbraw/zinc/48/82/95/601488295.db2.gz SOZRTQIIJIXNAO-OAQYLSRUSA-N 1 0 391.512 1.499 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824262283 607515495 /nfs/dbraw/zinc/51/54/95/607515495.db2.gz YYHIEQBISOREMD-CQSZACIVSA-N 1 0 385.472 1.289 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826455854 607518027 /nfs/dbraw/zinc/51/80/27/607518027.db2.gz HBPBTTXVVAYSJH-PBHICJAKSA-N 1 0 395.467 1.281 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000830604051 601838265 /nfs/dbraw/zinc/83/82/65/601838265.db2.gz DVHASKHSQJLVCW-UHFFFAOYSA-N 1 0 377.894 1.152 20 0 GDADRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826363834 607529760 /nfs/dbraw/zinc/52/97/60/607529760.db2.gz CVMWKXACBFYFFN-KRWDZBQOSA-N 1 0 383.456 1.425 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=S)NC[C@@H]1CCOC1 ZINC000825866463 607530885 /nfs/dbraw/zinc/53/08/85/607530885.db2.gz YPKPTENEOIFVCU-HNNXBMFYSA-N 1 0 389.529 1.141 20 0 GDADRO C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C(C)(C)C1 ZINC000528939209 649930835 /nfs/dbraw/zinc/93/08/35/649930835.db2.gz LDIREERQLSISLM-UHFFFAOYSA-N 1 0 377.869 1.310 20 0 GDADRO O=C([O-])N1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000740426252 602509532 /nfs/dbraw/zinc/50/95/32/602509532.db2.gz CHQANKIVSAOYOO-QGZVFWFLSA-N 1 0 375.473 1.242 20 0 GDADRO COc1ccc(CNC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1-c1nn[nH]n1 ZINC000826197824 607570951 /nfs/dbraw/zinc/57/09/51/607570951.db2.gz DYAIVFLFYNFNQI-JKSUJKDBSA-N 1 0 385.472 1.644 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)[N@@H+]1CCCC[C@@H]1C ZINC000824936525 607586753 /nfs/dbraw/zinc/58/67/53/607586753.db2.gz IQNZVRIJNZCVMP-RYUDHWBXSA-N 1 0 382.465 1.547 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)C[NH+]1CCCCC1 ZINC000824426512 607593722 /nfs/dbraw/zinc/59/37/22/607593722.db2.gz GULXYTABMGCMTI-LBPRGKRZSA-N 1 0 398.920 1.920 20 0 GDADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000825454050 607595434 /nfs/dbraw/zinc/59/54/34/607595434.db2.gz YIVNKQLTHJLNSI-UHFFFAOYSA-N 1 0 384.893 1.530 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)CC1 ZINC000824284906 607604352 /nfs/dbraw/zinc/60/43/52/607604352.db2.gz RTSSEPSIPSUFPC-UHFFFAOYSA-N 1 0 378.502 1.608 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000738851769 603134779 /nfs/dbraw/zinc/13/47/79/603134779.db2.gz IXLXIMMSDJSODN-MSOLQXFVSA-N 1 0 380.533 1.972 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1 ZINC000825411933 607699346 /nfs/dbraw/zinc/69/93/46/607699346.db2.gz IITUHVJNKYZDJZ-UHFFFAOYSA-N 1 0 396.455 1.519 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000833487635 604938495 /nfs/dbraw/zinc/93/84/95/604938495.db2.gz LBAXDDCBTZEGKX-IAGOWNOFSA-N 1 0 383.533 1.282 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000833627316 605053246 /nfs/dbraw/zinc/05/32/46/605053246.db2.gz WBKBHSCJEHBUMS-MRXNPFEDSA-N 1 0 388.512 1.276 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000833626296 605135557 /nfs/dbraw/zinc/13/55/57/605135557.db2.gz PPHOCZVKEVHIPG-QGZVFWFLSA-N 1 0 388.512 1.973 20 0 GDADRO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(-c2nn[nH]n2)c1C ZINC000826341917 607748771 /nfs/dbraw/zinc/74/87/71/607748771.db2.gz SVMYRVVGTHKRNB-OCCSQVGLSA-N 1 0 399.459 1.407 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@H](Cn3ccnn3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000826476980 607749271 /nfs/dbraw/zinc/74/92/71/607749271.db2.gz SROOWYHNAJPSGO-JSGCOSHPSA-N 1 0 399.484 1.037 20 0 GDADRO COCCCOc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000826157217 607751339 /nfs/dbraw/zinc/75/13/39/607751339.db2.gz LWYFNDJKEWZKFQ-OAHLLOKOSA-N 1 0 398.471 1.310 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1-c1nn[nH]n1 ZINC000825538768 607767072 /nfs/dbraw/zinc/76/70/72/607767072.db2.gz JWVRJWHFNCAEPJ-LBPRGKRZSA-N 1 0 388.432 1.651 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000823249857 606019591 /nfs/dbraw/zinc/01/95/91/606019591.db2.gz MSJSRVQEHYVZBO-FQEVSTJZSA-N 1 0 396.426 1.259 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC000821596470 606058138 /nfs/dbraw/zinc/05/81/38/606058138.db2.gz LDQOKKQIOHTNLL-OAHLLOKOSA-N 1 0 399.503 1.047 20 0 GDADRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820649779 606069118 /nfs/dbraw/zinc/06/91/18/606069118.db2.gz OODIQDBHIATMAI-VBKZILBWSA-N 1 0 386.500 1.650 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2nc3ccccc3cc2-c2nn[nH]n2)CC1 ZINC000821180339 606073892 /nfs/dbraw/zinc/07/38/92/606073892.db2.gz BQZUSYQPMMXDIL-UHFFFAOYSA-N 1 0 394.483 1.405 20 0 GDADRO CN(CC(F)F)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000821595096 606088970 /nfs/dbraw/zinc/08/89/70/606088970.db2.gz MORSVXYYFIABJT-UHFFFAOYSA-N 1 0 393.442 1.857 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000822215199 606119011 /nfs/dbraw/zinc/11/90/11/606119011.db2.gz PYKSDDAYLAZJAI-OAHLLOKOSA-N 1 0 397.483 1.304 20 0 GDADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000820112496 606156008 /nfs/dbraw/zinc/15/60/08/606156008.db2.gz VSJAQYRVWSBYAE-UHFFFAOYSA-N 1 0 383.460 1.762 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=S)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000821189569 606167513 /nfs/dbraw/zinc/16/75/13/606167513.db2.gz OXCQJJZOKUGIIV-CQSZACIVSA-N 1 0 389.529 1.996 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nn[nH]n2)C1 ZINC000820648702 606167904 /nfs/dbraw/zinc/16/79/04/606167904.db2.gz FVDJDPKKFIIVOZ-VXGBXAGGSA-N 1 0 375.481 1.478 20 0 GDADRO CC[C@H](C)C[N@H+](CC)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000820868993 606239435 /nfs/dbraw/zinc/23/94/35/606239435.db2.gz DPZGJZCFAKVWBS-AWEZNQCLSA-N 1 0 385.472 1.956 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821266303 606288564 /nfs/dbraw/zinc/28/85/64/606288564.db2.gz ASOUZYTVMFLUSJ-KRWDZBQOSA-N 1 0 394.483 1.727 20 0 GDADRO O=S(=O)(CC[NH2+]CCc1c[nH]c2ccccc12)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561294 606307922 /nfs/dbraw/zinc/30/79/22/606307922.db2.gz CJPUNGVIPDGYOO-UHFFFAOYSA-N 1 0 396.476 1.954 20 0 GDADRO CC(C)[NH2+]C1CCN([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000820137410 606318455 /nfs/dbraw/zinc/31/84/55/606318455.db2.gz KDOQUZDROZLRQC-AWEZNQCLSA-N 1 0 375.502 1.496 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821188937 606330641 /nfs/dbraw/zinc/33/06/41/606330641.db2.gz GYMOBFSOHIWENN-DZGCQCFKSA-N 1 0 389.529 1.697 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000821412060 606331132 /nfs/dbraw/zinc/33/11/32/606331132.db2.gz HDXRMYFVGUSZEI-QGZVFWFLSA-N 1 0 391.501 1.824 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821000199 606333501 /nfs/dbraw/zinc/33/35/01/606333501.db2.gz AWWNFQSGTHHVSH-MSOLQXFVSA-N 1 0 383.500 1.432 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821583175 606366475 /nfs/dbraw/zinc/36/64/75/606366475.db2.gz LBUCHIOBUPQIMZ-UHFFFAOYSA-N 1 0 389.529 1.101 20 0 GDADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@@H](CC)CN1C(C)=O ZINC000820995402 606509112 /nfs/dbraw/zinc/50/91/12/606509112.db2.gz QUXYZUMBQFTZSJ-ZWKOTPCHSA-N 1 0 399.499 1.917 20 0 GDADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000823092929 606559174 /nfs/dbraw/zinc/55/91/74/606559174.db2.gz OYAITWIUSBLGNB-UHFFFAOYSA-N 1 0 384.484 1.561 20 0 GDADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823170551 606572326 /nfs/dbraw/zinc/57/23/26/606572326.db2.gz DLLUXLSNFYLXPE-UHFFFAOYSA-N 1 0 376.486 1.693 20 0 GDADRO CC[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@H](C)O ZINC000820988281 606596817 /nfs/dbraw/zinc/59/68/17/606596817.db2.gz DSHIDGQBVLSBHI-AAEUAGOBSA-N 1 0 377.424 1.315 20 0 GDADRO CC[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1ccccc1C ZINC000820908132 606619658 /nfs/dbraw/zinc/61/96/58/606619658.db2.gz JNGCDFNBULBOCG-CABCVRRESA-N 1 0 382.472 1.861 20 0 GDADRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000820121931 606646027 /nfs/dbraw/zinc/64/60/27/606646027.db2.gz WCKBDWHCHIIVJX-MRXNPFEDSA-N 1 0 392.529 1.749 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C[C@H](C)O1 ZINC000820760464 606664348 /nfs/dbraw/zinc/66/43/48/606664348.db2.gz QTOUAVATIYZSEE-PHIMTYICSA-N 1 0 380.399 1.374 20 0 GDADRO CC[N@H+]1C[C@H](NC(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)[C@@H](C)C1 ZINC000821243186 606678976 /nfs/dbraw/zinc/67/89/76/606678976.db2.gz ZVGNCFAFLRQMRA-YJBOKZPZSA-N 1 0 398.515 1.034 20 0 GDADRO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000819854992 606699259 /nfs/dbraw/zinc/69/92/59/606699259.db2.gz DWBWHZIVEFCHGG-JHJVBQTASA-N 1 0 389.508 1.214 20 0 GDADRO CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1 ZINC000821486633 606702288 /nfs/dbraw/zinc/70/22/88/606702288.db2.gz JEVVHKGRPJDTIL-GFCCVEGCSA-N 1 0 397.487 1.626 20 0 GDADRO CC(C)[C@H](C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1)[NH+](C)C ZINC000735689760 606720643 /nfs/dbraw/zinc/72/06/43/606720643.db2.gz BCNRIVHIVJJROH-QGZVFWFLSA-N 1 0 399.499 1.630 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)[NH+](C)C ZINC000735692005 606722473 /nfs/dbraw/zinc/72/24/73/606722473.db2.gz RINCYUVZEFNOHV-MRXNPFEDSA-N 1 0 375.452 1.241 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1 ZINC000821581705 606743629 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1.304 20 0 GDADRO O[C@H](C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681695 606851223 /nfs/dbraw/zinc/85/12/23/606851223.db2.gz IZFALKRGOFOBSZ-VQTJNVASSA-N 1 0 394.479 1.563 20 0 GDADRO O[C@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681678 606854654 /nfs/dbraw/zinc/85/46/54/606854654.db2.gz IOJOWJOJVQJYGA-LJQANCHMSA-N 1 0 379.468 1.549 20 0 GDADRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)ccc1OCCO ZINC000821708699 606856005 /nfs/dbraw/zinc/85/60/05/606856005.db2.gz WPZXTKZQABJVQZ-GUYCJALGSA-N 1 0 399.451 1.631 20 0 GDADRO O=S(=O)(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000823594029 606889732 /nfs/dbraw/zinc/88/97/32/606889732.db2.gz ALRPUUHKVYYPFF-LBPRGKRZSA-N 1 0 398.439 1.394 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821625468 606890543 /nfs/dbraw/zinc/89/05/43/606890543.db2.gz OPEBEDYIWSSOPC-ZIAGYGMSSA-N 1 0 398.439 1.392 20 0 GDADRO 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CAYHPGHCSOODOD-OAHLLOKOSA-N 1 0 394.476 1.396 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824976865 608334743 /nfs/dbraw/zinc/33/47/43/608334743.db2.gz PDXXWIYZEVSZAU-NHYWBVRUSA-N 1 0 382.465 1.108 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825412096 608336181 /nfs/dbraw/zinc/33/61/81/608336181.db2.gz JZYAGTNVHZCIBZ-CYBMUJFWSA-N 1 0 396.492 1.499 20 0 GDADRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000443049574 608341965 /nfs/dbraw/zinc/34/19/65/608341965.db2.gz OQJVAJHUWYSLHO-UHFFFAOYSA-N 1 0 384.893 1.482 20 0 GDADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000824604375 608361182 /nfs/dbraw/zinc/36/11/82/608361182.db2.gz BRAUREMVOFGOHD-SNVBAGLBSA-N 1 0 376.417 1.504 20 0 GDADRO c1ccc(CN2CC[NH+](CCCCNc3ccc(-c4nn[nH]n4)nn3)CC2)cc1 ZINC000826521495 608400840 /nfs/dbraw/zinc/40/08/40/608400840.db2.gz PBBDQFMAACVGRL-UHFFFAOYSA-N 1 0 393.499 1.667 20 0 GDADRO c1ccc(N2CC[NH+](CCCCNc3ccc(-c4nn[nH]n4)nn3)CC2)cc1 ZINC000826521838 608402426 /nfs/dbraw/zinc/40/24/26/608402426.db2.gz AHQBNHZXSDRFLR-UHFFFAOYSA-N 1 0 379.472 1.671 20 0 GDADRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc(-c4nn[nH]n4)nn3)C2)cc(OC)c1 ZINC000826179455 608430124 /nfs/dbraw/zinc/43/01/24/608430124.db2.gz OXBXLAFGURMOHF-ZDUSSCGKSA-N 1 0 382.428 1.360 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@H]1n1ccnc1 ZINC000824957591 608453003 /nfs/dbraw/zinc/45/30/03/608453003.db2.gz XTVFCBMWQANXSU-WMLDXEAASA-N 1 0 380.456 1.263 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@@H]1n1ccnc1 ZINC000824957451 608453485 /nfs/dbraw/zinc/45/34/85/608453485.db2.gz XTVFCBMWQANXSU-PBHICJAKSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553738 608463683 /nfs/dbraw/zinc/46/36/83/608463683.db2.gz GNTDLFRIZVPUEH-HEHGZKQESA-N 1 0 385.472 1.922 20 0 GDADRO O[C@@H](COC[C@H]1CCCO1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826504411 608464413 /nfs/dbraw/zinc/46/44/13/608464413.db2.gz VLGVGRIVOLSKBM-RTBURBONSA-N 1 0 385.468 1.512 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)ccc1OCCO ZINC000826177788 608470518 /nfs/dbraw/zinc/47/05/18/608470518.db2.gz VRTABLVNXBYBLJ-AWEZNQCLSA-N 1 0 399.451 1.976 20 0 GDADRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824599485 608480831 /nfs/dbraw/zinc/48/08/31/608480831.db2.gz PRCPKZUBQQDEDR-ZDUSSCGKSA-N 1 0 387.465 2.000 20 0 GDADRO COCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826164982 608488907 /nfs/dbraw/zinc/48/89/07/608488907.db2.gz ZVUVKABKWADFLZ-CQSZACIVSA-N 1 0 380.452 1.980 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826223134 608524733 /nfs/dbraw/zinc/52/47/33/608524733.db2.gz CETVUEPQOFAAMT-BLLLJJGKSA-N 1 0 376.486 1.115 20 0 GDADRO CN(C)C(=O)COc1ccccc1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825961464 608526458 /nfs/dbraw/zinc/52/64/58/608526458.db2.gz FWKPYSUCZDYZCD-UHFFFAOYSA-N 1 0 380.452 1.966 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000825875213 608530777 /nfs/dbraw/zinc/53/07/77/608530777.db2.gz FLRODKLZWZFNLO-UHFFFAOYSA-N 1 0 398.492 1.896 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NC(=O)NC1CCCCC1 ZINC000826412235 608532614 /nfs/dbraw/zinc/53/26/14/608532614.db2.gz HIAOCUNXGRLNKB-UHFFFAOYSA-N 1 0 383.456 1.604 20 0 GDADRO Cc1cccc(OCCNC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826299994 608532638 /nfs/dbraw/zinc/53/26/38/608532638.db2.gz CYSMMNWQWCBMFJ-UHFFFAOYSA-N 1 0 392.463 1.949 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000826175502 608594900 /nfs/dbraw/zinc/59/49/00/608594900.db2.gz HPWITJWBSCMNBL-KGLIPLIRSA-N 1 0 388.472 1.585 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cc(F)ccc1O ZINC000825866546 608759786 /nfs/dbraw/zinc/75/97/86/608759786.db2.gz ZWZBZSMNMQFLMA-UHFFFAOYSA-N 1 0 384.415 1.915 20 0 GDADRO NC(=O)N[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000826392440 608850742 /nfs/dbraw/zinc/85/07/42/608850742.db2.gz YHUPUSXIMRLZGB-QGZVFWFLSA-N 1 0 393.451 1.688 20 0 GDADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824598817 609138568 /nfs/dbraw/zinc/13/85/68/609138568.db2.gz JLRXCVWLMSDNEF-GFCCVEGCSA-N 1 0 390.444 1.635 20 0 GDADRO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259236 609147942 /nfs/dbraw/zinc/14/79/42/609147942.db2.gz MANSHDXBXYZLBE-AWEZNQCLSA-N 1 0 380.456 1.575 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259061 609162124 /nfs/dbraw/zinc/16/21/24/609162124.db2.gz GEFZXXNMKUZVNB-WFASDCNBSA-N 1 0 392.467 1.716 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cncn2)cc1 ZINC000824563152 609180224 /nfs/dbraw/zinc/18/02/24/609180224.db2.gz MGPGVHBUKITTEW-ZDUSSCGKSA-N 1 0 389.423 1.737 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826431906 609188356 /nfs/dbraw/zinc/18/83/56/609188356.db2.gz NHQXJUMSMYJUJW-ZWKOTPCHSA-N 1 0 378.436 1.291 20 0 GDADRO C[C@@H]([NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCOCC1)c1ccccc1 ZINC000824538016 609212417 /nfs/dbraw/zinc/21/24/17/609212417.db2.gz GSSGVKIYDOTLPO-CQSZACIVSA-N 1 0 395.467 1.825 20 0 GDADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825870708 609215306 /nfs/dbraw/zinc/21/53/06/609215306.db2.gz ZDUKMYKGOMXSPD-SFHVURJKSA-N 1 0 396.451 1.157 20 0 GDADRO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825870604 609221021 /nfs/dbraw/zinc/22/10/21/609221021.db2.gz ULRILGRCTAPBRN-SFHVURJKSA-N 1 0 396.451 1.157 20 0 GDADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826160294 609249067 /nfs/dbraw/zinc/24/90/67/609249067.db2.gz MLZLGPAPLDCWHE-KXBFYZLASA-N 1 0 394.479 1.891 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824413701 609261216 /nfs/dbraw/zinc/26/12/16/609261216.db2.gz OMCXAUXKKINJFM-KDOFPFPSSA-N 1 0 380.452 1.537 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000825460538 609299405 /nfs/dbraw/zinc/29/94/05/609299405.db2.gz ZYFPDFLDJAKKPH-CYBMUJFWSA-N 1 0 391.907 1.524 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000825859631 609318443 /nfs/dbraw/zinc/31/84/43/609318443.db2.gz IMNVMACDPGCVTR-CQSZACIVSA-N 1 0 385.472 1.386 20 0 GDADRO Cn1cc(C[NH2+]CCCOC[C@H]2CCOC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361540 609340596 /nfs/dbraw/zinc/34/05/96/609340596.db2.gz BJFYFFKMDMFLSK-OAHLLOKOSA-N 1 0 397.483 1.800 20 0 GDADRO Cn1cc(C[NH2+]C[C@]2(CCO)CCOC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361483 609341932 /nfs/dbraw/zinc/34/19/32/609341932.db2.gz YXRGJDVNILOQDA-IBGZPJMESA-N 1 0 383.456 1.146 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC[N@@H+]1C ZINC000824893952 609358087 /nfs/dbraw/zinc/35/80/87/609358087.db2.gz VZDJIYMHJGGGGB-RYUDHWBXSA-N 1 0 399.434 1.796 20 0 GDADRO O=C1[C@H]([NH2+][C@H]2CCc3nccn3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477194 609415675 /nfs/dbraw/zinc/41/56/75/609415675.db2.gz XRPFQRWDWCZGCA-GOEBONIOSA-N 1 0 378.440 1.163 20 0 GDADRO OC[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000826506903 609428696 /nfs/dbraw/zinc/42/86/96/609428696.db2.gz FFGXUQLJVGEIHF-WBVHZDCISA-N 1 0 389.843 1.583 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000826443367 609440277 /nfs/dbraw/zinc/44/02/77/609440277.db2.gz MBBBCHXEUHPKRY-LJQANCHMSA-N 1 0 392.463 1.753 20 0 GDADRO O[C@@H](CNc1nc2ccccn2c1-c1nn[nH]n1)C[N@@H+]1CCc2ccccc2C1 ZINC000826504030 609460141 /nfs/dbraw/zinc/46/01/41/609460141.db2.gz LSNPAPWFAISHNW-INIZCTEOSA-N 1 0 390.451 1.346 20 0 GDADRO CC(C)(C)[C@H]1CC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000824079925 609501936 /nfs/dbraw/zinc/50/19/36/609501936.db2.gz SOGYQAALNPGKEI-HNNXBMFYSA-N 1 0 397.483 1.956 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000824950074 609538514 /nfs/dbraw/zinc/53/85/14/609538514.db2.gz ZRHZZGVAYJUKQK-RYUDHWBXSA-N 1 0 398.920 1.919 20 0 GDADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC[N@@H+]1C ZINC000824884315 609549149 /nfs/dbraw/zinc/54/91/49/609549149.db2.gz NFVVPQUOSVURBO-ZYHUDNBSSA-N 1 0 384.893 1.623 20 0 GDADRO O=C1[C@@H]([NH2+]Cc2cccc3nccn32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477171 609602461 /nfs/dbraw/zinc/60/24/61/609602461.db2.gz WXJWKOVJRRDOGN-KRWDZBQOSA-N 1 0 388.435 1.800 20 0 GDADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CCSC1 ZINC000530890635 649983542 /nfs/dbraw/zinc/98/35/42/649983542.db2.gz DKTXTNCWKSWZNP-KRWDZBQOSA-N 1 0 383.539 1.294 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000532202916 650018760 /nfs/dbraw/zinc/01/87/60/650018760.db2.gz HPOBUWRFXZOYIR-CYBMUJFWSA-N 1 0 377.532 1.380 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000532196679 650018827 /nfs/dbraw/zinc/01/88/27/650018827.db2.gz CSCBYUIOKTYNGV-BONVTDFDSA-N 1 0 383.901 1.986 20 0 GDADRO COC(=O)CCNC(=O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000533027327 650040267 /nfs/dbraw/zinc/04/02/67/650040267.db2.gz KUCCJICAGMZBIK-UHFFFAOYSA-N 1 0 399.285 1.724 20 0 GDADRO O=C(CC[NH+]1CCN(Cc2ccsc2)CC1)NC(=O)NCC(F)(F)F ZINC000534529889 650224569 /nfs/dbraw/zinc/22/45/69/650224569.db2.gz RVFVOOFAPOQNPS-UHFFFAOYSA-N 1 0 378.420 1.644 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)NCCNc1cc[nH+]cc1 ZINC000535258281 650244813 /nfs/dbraw/zinc/24/48/13/650244813.db2.gz OMEIFNSDQBXBKV-UHFFFAOYSA-N 1 0 382.873 1.054 20 0 GDADRO C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCC(CO)CC1 ZINC000535553985 650249611 /nfs/dbraw/zinc/24/96/11/650249611.db2.gz VEZLDALOJZJPLG-UHFFFAOYSA-N 1 0 389.905 1.409 20 0 GDADRO O=C(Nc1n[nH]c(-c2ccccc2Br)n1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000535717181 650254614 /nfs/dbraw/zinc/25/46/14/650254614.db2.gz ASDTUBPRNZQUOL-ZDUSSCGKSA-N 1 0 391.273 1.563 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)c1 ZINC000535735213 650254809 /nfs/dbraw/zinc/25/48/09/650254809.db2.gz NTDALDFEOVYKAD-LLVKDONJSA-N 1 0 384.274 1.997 20 0 GDADRO CCc1nc(CC(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000536034095 650263753 /nfs/dbraw/zinc/26/37/53/650263753.db2.gz DTDYGSUDYYEOLW-HNNXBMFYSA-N 1 0 387.571 1.606 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCSCC(F)(F)F ZINC000536729270 650279676 /nfs/dbraw/zinc/27/96/76/650279676.db2.gz KSZIKQCVADCEBS-GFCCVEGCSA-N 1 0 384.468 1.524 20 0 GDADRO CSCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000536847552 650281963 /nfs/dbraw/zinc/28/19/63/650281963.db2.gz TZZAHWFLMNMHPJ-HOCLYGCPSA-N 1 0 388.555 1.472 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cnn2cc(Br)cnc12 ZINC000537719138 650299679 /nfs/dbraw/zinc/29/96/79/650299679.db2.gz TVAFVGOFVOPPMK-LBPRGKRZSA-N 1 0 384.278 1.314 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)cc1 ZINC000537943891 650302380 /nfs/dbraw/zinc/30/23/80/650302380.db2.gz FWXRMDJKNFHXRQ-UONOGXRCSA-N 1 0 376.544 1.801 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000538519580 650313454 /nfs/dbraw/zinc/31/34/54/650313454.db2.gz VCFLIHIQUIMRHR-OAHLLOKOSA-N 1 0 376.567 1.466 20 0 GDADRO COCCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000539171023 650329688 /nfs/dbraw/zinc/32/96/88/650329688.db2.gz QLHZPKSKDBPTHG-OWCLPIDISA-N 1 0 375.535 1.094 20 0 GDADRO CS[C@@H]1CN(CC(=O)Nc2nc(CN3CCCC3)cs2)C[C@H]1[NH+](C)C ZINC000539492631 650335802 /nfs/dbraw/zinc/33/58/02/650335802.db2.gz FVZDLBYVGDYWIW-HUUCEWRRSA-N 1 0 383.587 1.655 20 0 GDADRO COCCN(C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000540265736 650354143 /nfs/dbraw/zinc/35/41/43/650354143.db2.gz NMFQEWLFKAOMBX-OWCLPIDISA-N 1 0 375.535 1.094 20 0 GDADRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000540316649 650356044 /nfs/dbraw/zinc/35/60/44/650356044.db2.gz WKBCTUKCNLONQH-ZDUSSCGKSA-N 1 0 382.507 1.729 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000540517557 650361255 /nfs/dbraw/zinc/36/12/55/650361255.db2.gz NVWRRRWCBULADS-UHFFFAOYSA-N 1 0 398.348 1.199 20 0 GDADRO C[C@H](CNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)[N@H+](C)C1CC1 ZINC000540985488 650375660 /nfs/dbraw/zinc/37/56/60/650375660.db2.gz KRMFEXLVVVTXQF-GFCCVEGCSA-N 1 0 385.917 1.567 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C[C@H]1[NH+]1CCCC1 ZINC000541842472 650393897 /nfs/dbraw/zinc/39/38/97/650393897.db2.gz FVPOKFJAKVSHAV-YNEHKIRRSA-N 1 0 379.448 1.435 20 0 GDADRO CSc1ccccc1C[C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000542162607 650399899 /nfs/dbraw/zinc/39/98/99/650399899.db2.gz QQBHZKMPAHXPTN-ZNMIVQPWSA-N 1 0 384.567 1.869 20 0 GDADRO COC(=O)COc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000543075206 650418199 /nfs/dbraw/zinc/41/81/99/650418199.db2.gz KGDWMCHKHKGXLD-UHFFFAOYSA-N 1 0 384.479 1.368 20 0 GDADRO C[C@@H](CCNC(=O)CSc1nnnn1CC(F)(F)F)[NH+]1CCCCC1 ZINC000544336478 650437980 /nfs/dbraw/zinc/43/79/80/650437980.db2.gz GVILKRQOFPLQIA-NSHDSACASA-N 1 0 380.440 1.708 20 0 GDADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545881929 650464218 /nfs/dbraw/zinc/46/42/18/650464218.db2.gz CJFSOKQOCFCQLF-QGZVFWFLSA-N 1 0 398.301 1.694 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(Cl)ccc2I)C1 ZINC000546569629 650479260 /nfs/dbraw/zinc/47/92/60/650479260.db2.gz AFTMEWRPQNHPKV-CYBMUJFWSA-N 1 0 394.640 1.741 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000547277754 650493946 /nfs/dbraw/zinc/49/39/46/650493946.db2.gz YWJMJVBVLCCSPC-CQSZACIVSA-N 1 0 380.798 1.739 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc2ncsc2c1 ZINC000547930910 650523697 /nfs/dbraw/zinc/52/36/97/650523697.db2.gz MTFFPZFVHVQYDB-MBNYWOFBSA-N 1 0 381.523 1.981 20 0 GDADRO Cc1n[nH]c(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)n1 ZINC000548158006 650533254 /nfs/dbraw/zinc/53/32/54/650533254.db2.gz HHBKINJYEHIMRW-LBPRGKRZSA-N 1 0 385.287 1.926 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000548449133 650545994 /nfs/dbraw/zinc/54/59/94/650545994.db2.gz FABZXPRDTYVGFB-INIZCTEOSA-N 1 0 399.310 1.947 20 0 GDADRO C[C@H]1C[C@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000548752690 650562251 /nfs/dbraw/zinc/56/22/51/650562251.db2.gz WWTXWJVGPSWAOF-KBPBESRZSA-N 1 0 385.917 1.656 20 0 GDADRO C[C@@H](COC1CCCC1)CS(=O)(=O)NCCCCN1CC[NH+](C)CC1 ZINC000549314181 650574697 /nfs/dbraw/zinc/57/46/97/650574697.db2.gz CLURVMXUPVNBLM-KRWDZBQOSA-N 1 0 375.579 1.529 20 0 GDADRO CO[C@H](CCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(F)(F)F ZINC000550002101 650586848 /nfs/dbraw/zinc/58/68/48/650586848.db2.gz QNDRESLNHDITNO-CMPLNLGQSA-N 1 0 381.420 1.551 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000550115701 650589202 /nfs/dbraw/zinc/58/92/02/650589202.db2.gz NOUKJWISFLUNFS-CQSZACIVSA-N 1 0 385.555 1.762 20 0 GDADRO O=C(NCCc1ccc(Br)s1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550589114 650595182 /nfs/dbraw/zinc/59/51/82/650595182.db2.gz BCBDHTVSSUKTMJ-JTQLQIEISA-N 1 0 386.315 1.522 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550838978 650597392 /nfs/dbraw/zinc/59/73/92/650597392.db2.gz QUKXGCRZUMVSHG-OAHLLOKOSA-N 1 0 375.947 1.913 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cccc(Br)c1Cl ZINC000551212547 650601429 /nfs/dbraw/zinc/60/14/29/650601429.db2.gz IRTRJOCXTNTXJA-UHFFFAOYSA-N 1 0 385.711 1.695 20 0 GDADRO O=S1(=O)C[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)[C@H](N2CCOCC2)C1 ZINC000551992710 650615985 /nfs/dbraw/zinc/61/59/85/650615985.db2.gz AMEDHEOZWGOADO-VKYMVXLJSA-N 1 0 384.929 1.673 20 0 GDADRO Cc1cc(CCC(=O)N[C@H](C)C(=O)NCC[NH+](C)C)ccc1Br ZINC000552083239 650619076 /nfs/dbraw/zinc/61/90/76/650619076.db2.gz XOQALRXFGRKZCR-CYBMUJFWSA-N 1 0 384.318 1.873 20 0 GDADRO C[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCC(F)(F)F ZINC000553827755 650659246 /nfs/dbraw/zinc/65/92/46/650659246.db2.gz UZCNZCOSQHPSND-GHMZBOCLSA-N 1 0 381.420 1.655 20 0 GDADRO CCOC(=O)C1CCC([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000554743294 650681270 /nfs/dbraw/zinc/68/12/70/650681270.db2.gz ZPVCHICCGPHADA-UYSNPLJNSA-N 1 0 375.535 1.359 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC000555259873 650687778 /nfs/dbraw/zinc/68/77/78/650687778.db2.gz GNBZNVPYZULKMO-UHFFFAOYSA-N 1 0 382.408 1.445 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)cnc2c1Cl ZINC000555405008 650690252 /nfs/dbraw/zinc/69/02/52/650690252.db2.gz LGUKGQJHHYHGSD-MRXNPFEDSA-N 1 0 383.905 1.798 20 0 GDADRO O=C(Cc1csc(-c2ccccc2Cl)n1)NCC(=O)N1CC[NH2+]CC1 ZINC000555415957 650690469 /nfs/dbraw/zinc/69/04/69/650690469.db2.gz HFRKQOOOXGELTI-UHFFFAOYSA-N 1 0 378.885 1.554 20 0 GDADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000556236140 650700678 /nfs/dbraw/zinc/70/06/78/650700678.db2.gz OJHXHUGZIRLQKY-BBRMVZONSA-N 1 0 375.512 1.414 20 0 GDADRO CCCS(=O)(=O)Nc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000556321383 650702432 /nfs/dbraw/zinc/70/24/32/650702432.db2.gz QVCGIFCDOAGVET-UHFFFAOYSA-N 1 0 377.532 1.458 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000556910948 650714730 /nfs/dbraw/zinc/71/47/30/650714730.db2.gz AFZNJARBJSCQGD-SECBINFHSA-N 1 0 389.326 1.294 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000557240666 650721666 /nfs/dbraw/zinc/72/16/66/650721666.db2.gz CAXALBOKHMONKK-HUUCEWRRSA-N 1 0 384.274 1.520 20 0 GDADRO O=C(NCCc1nc2cc(Cl)ccc2s1)C(=O)NCC1CC[NH2+]CC1 ZINC000557258271 650722373 /nfs/dbraw/zinc/72/23/73/650722373.db2.gz LUPQNVBGDYEFSR-UHFFFAOYSA-N 1 0 380.901 1.724 20 0 GDADRO CCOC(=O)C1(C)CCC([NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000557446540 650725956 /nfs/dbraw/zinc/72/59/56/650725956.db2.gz PNLCJCGDPJHKAK-ISXOHVOVSA-N 1 0 375.535 1.359 20 0 GDADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000557499102 650727037 /nfs/dbraw/zinc/72/70/37/650727037.db2.gz KOBWKIZCUBULFO-OAHLLOKOSA-N 1 0 385.921 1.738 20 0 GDADRO C[C@@H](CO)[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCCC1 ZINC000561887199 650736258 /nfs/dbraw/zinc/73/62/58/650736258.db2.gz HOUJJBROMARXDH-NSHDSACASA-N 1 0 389.905 1.551 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1Br ZINC000563889035 650741933 /nfs/dbraw/zinc/74/19/33/650741933.db2.gz SXZHIJJPZLSDPE-YPMHNXCESA-N 1 0 394.331 1.631 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000564074271 650747067 /nfs/dbraw/zinc/74/70/67/650747067.db2.gz PIIFMIOFQXPDFS-LSDHHAIUSA-N 1 0 392.297 1.776 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000564080820 650747205 /nfs/dbraw/zinc/74/72/05/650747205.db2.gz SRPVXCGGOCNXDY-OCCSQVGLSA-N 1 0 395.301 1.012 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000564451641 650758357 /nfs/dbraw/zinc/75/83/57/650758357.db2.gz WHVIVIFNFWJYLJ-GFCCVEGCSA-N 1 0 381.832 1.122 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000564225979 650752932 /nfs/dbraw/zinc/75/29/32/650752932.db2.gz NLGZTELGQDZACO-SMDDNHRTSA-N 1 0 398.301 1.603 20 0 GDADRO Cc1ccc(NC(=O)Cn2cnc3c(c2=O)CC[NH2+]CC3)c(Br)c1 ZINC000564927177 650772894 /nfs/dbraw/zinc/77/28/94/650772894.db2.gz QWQBMGOILNLIDK-UHFFFAOYSA-N 1 0 391.269 1.641 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564933569 650773213 /nfs/dbraw/zinc/77/32/13/650773213.db2.gz CQGDNTQRLWBASL-HIFRSBDPSA-N 1 0 382.302 1.755 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000564784623 650767710 /nfs/dbraw/zinc/76/77/10/650767710.db2.gz WPRFQOIHYHFFQV-ZETCQYMHSA-N 1 0 378.654 1.903 20 0 GDADRO CSc1cc2c(cc1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)OCCO2 ZINC000564802201 650768324 /nfs/dbraw/zinc/76/83/24/650768324.db2.gz ZBFPLNBIZPPZRD-UHFFFAOYSA-N 1 0 386.495 1.285 20 0 GDADRO CC[NH2+]CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000564982170 650775192 /nfs/dbraw/zinc/77/51/92/650775192.db2.gz WKUVXCDBOSKYNW-UHFFFAOYSA-N 1 0 387.811 1.363 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000565304475 650791237 /nfs/dbraw/zinc/79/12/37/650791237.db2.gz SZIGKYWPIVEWBK-NSHDSACASA-N 1 0 394.324 1.872 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000565431561 650796588 /nfs/dbraw/zinc/79/65/88/650796588.db2.gz VLPCYIJERNCGOM-OWCLPIDISA-N 1 0 385.917 1.183 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)NCCC[C@H]1CCC[NH2+]1 ZINC000565711022 650809108 /nfs/dbraw/zinc/80/91/08/650809108.db2.gz DMLYZVANWFRTOU-CYBMUJFWSA-N 1 0 396.285 1.823 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3ccc(F)cc3Br)CCN2C1=O ZINC000565786655 650814359 /nfs/dbraw/zinc/81/43/59/650814359.db2.gz KNCBWHJQAGUODC-YPMHNXCESA-N 1 0 385.237 1.042 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000565994948 650825018 /nfs/dbraw/zinc/82/50/18/650825018.db2.gz OHYOBLGMGQHGTN-HNNXBMFYSA-N 1 0 387.933 1.902 20 0 GDADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000566211791 650834861 /nfs/dbraw/zinc/83/48/61/650834861.db2.gz KPBGLOUQZPENCK-WFASDCNBSA-N 1 0 385.917 1.296 20 0 GDADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000566252070 650837433 /nfs/dbraw/zinc/83/74/33/650837433.db2.gz CQITWUOBGOTIFY-SMDDNHRTSA-N 1 0 381.270 1.973 20 0 GDADRO CC1(C)CN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000566251986 650837637 /nfs/dbraw/zinc/83/76/37/650837637.db2.gz ZWIIIKLQJQQBMS-UHFFFAOYSA-N 1 0 380.297 1.482 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(I)cc2F)C[C@@H]1O ZINC000566453405 650846403 /nfs/dbraw/zinc/84/64/03/650846403.db2.gz XBJBTIHMNQHFQH-RYUDHWBXSA-N 1 0 378.185 1.177 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000566733393 650863386 /nfs/dbraw/zinc/86/33/86/650863386.db2.gz RZWICDYOXIEFBY-CYBMUJFWSA-N 1 0 395.319 1.106 20 0 GDADRO COC1(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]CC1 ZINC000566857326 650870312 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GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCC(C[NH+](C)C)CC2)c1 ZINC000044200205 644345895 /nfs/dbraw/zinc/34/58/95/644345895.db2.gz KMLNUKMHFGGGNL-UHFFFAOYSA-N 1 0 384.571 1.907 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000567657659 650912743 /nfs/dbraw/zinc/91/27/43/650912743.db2.gz CYPMUEANQULCLW-WFASDCNBSA-N 1 0 386.279 1.703 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1csc([C@@H]2CCCO2)n1 ZINC000567672082 650913994 /nfs/dbraw/zinc/91/39/94/650913994.db2.gz AIRDCTXOFCSRMS-NWDGAFQWSA-N 1 0 378.420 1.561 20 0 GDADRO CC[N@H+](C)C[C@H](O)Cn1c(=O)ccn(Cc2cccc(Br)c2)c1=O ZINC000567752479 650918865 /nfs/dbraw/zinc/91/88/65/650918865.db2.gz LSNLLURFMMISLF-HNNXBMFYSA-N 1 0 396.285 1.133 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000567710602 650916199 /nfs/dbraw/zinc/91/61/99/650916199.db2.gz NRSMCVPEHHXDKJ-DYVFJYSZSA-N 1 0 390.933 1.650 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567737493 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C[C@@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1csnn1 ZINC000420854916 645973077 /nfs/dbraw/zinc/97/30/77/645973077.db2.gz VOLJPYSDHXFAMU-DGCLKSJQSA-N 1 0 379.511 1.730 20 0 GDADRO COCCCS(=O)(=O)NCC[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421024790 645979082 /nfs/dbraw/zinc/97/90/82/645979082.db2.gz QJENMTDZBMCWPC-CABCVRRESA-N 1 0 378.535 1.242 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422099630 646038976 /nfs/dbraw/zinc/03/89/76/646038976.db2.gz KSMZPXFZZZFYHF-HNNXBMFYSA-N 1 0 382.302 1.960 20 0 GDADRO CCc1nc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)cs1 ZINC000422295216 646058215 /nfs/dbraw/zinc/05/82/15/646058215.db2.gz DPURHXWJCMMTOB-UHFFFAOYSA-N 1 0 380.539 1.974 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cn1 ZINC000422382280 646062525 /nfs/dbraw/zinc/06/25/25/646062525.db2.gz RULRGCGJWZBYIU-YPMHNXCESA-N 1 0 383.290 1.574 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)NCCc1cn(C)cn1 ZINC000422479582 646069893 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CN1CC[NH2+]C[C@H]1CNC(=O)NC1(Cc2ccccc2Br)CC1 ZINC000582536518 652003321 /nfs/dbraw/zinc/00/33/21/652003321.db2.gz WJFONUMXWZITLD-AWEZNQCLSA-N 1 0 381.318 1.727 20 0 GDADRO CN1CCN(C(=O)c2cc(I)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000582723691 652010596 /nfs/dbraw/zinc/01/05/96/652010596.db2.gz PZALVSMAMGLJMM-JTQLQIEISA-N 1 0 393.656 1.660 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN[C@H](c2ccccc2)C1 ZINC000582830053 652017679 /nfs/dbraw/zinc/01/76/79/652017679.db2.gz XEUQWHGCWXHWOM-HIFRSBDPSA-N 1 0 379.507 1.588 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000583031745 652023695 /nfs/dbraw/zinc/02/36/95/652023695.db2.gz BKUGRBFILJIKOX-KGLIPLIRSA-N 1 0 389.543 1.217 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000583032482 652023806 /nfs/dbraw/zinc/02/38/06/652023806.db2.gz UBTXXJDUJRNHAW-CQSZACIVSA-N 1 0 391.559 1.302 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000583312109 652034394 /nfs/dbraw/zinc/03/43/94/652034394.db2.gz BMIHELFXBHKXOF-BPUTZDHNSA-N 1 0 381.318 1.898 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2cccc(C)c2Cl)CC1 ZINC000584792177 652081622 /nfs/dbraw/zinc/08/16/22/652081622.db2.gz LQXFLLHKQWMNSD-UHFFFAOYSA-N 1 0 387.933 1.917 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000584802077 652082492 /nfs/dbraw/zinc/08/24/92/652082492.db2.gz WJFVWNUXKBKSCE-UHFFFAOYSA-N 1 0 392.319 1.163 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CCC2CS(=O)(=O)C2)c(Br)c1 ZINC000585767566 652087659 /nfs/dbraw/zinc/08/76/59/652087659.db2.gz SJWCKTWMHNQZCR-UHFFFAOYSA-N 1 0 376.272 1.760 20 0 GDADRO C[C@H](NC(=O)CSCC(=O)c1ccc(Cl)cc1)C(=O)NCC[NH+](C)C ZINC000588875914 652103863 /nfs/dbraw/zinc/10/38/63/652103863.db2.gz LIAURJFBEULCGP-LBPRGKRZSA-N 1 0 385.917 1.438 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3ccccc3I)[C@@H]2C1 ZINC000590010598 652124098 /nfs/dbraw/zinc/12/40/98/652124098.db2.gz RAHXWBMMSPTVNC-BXUZGUMPSA-N 1 0 385.249 1.866 20 0 GDADRO CCn1cc(Br)cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000590315933 652127297 /nfs/dbraw/zinc/12/72/97/652127297.db2.gz MMLDXFXYXQYQBA-LBPRGKRZSA-N 1 0 385.306 1.588 20 0 GDADRO COC(=O)[C@H]1CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@H+](C)C1 ZINC000591044575 652155751 /nfs/dbraw/zinc/15/57/51/652155751.db2.gz XGNSPQSJMRXSBR-OLZOCXBDSA-N 1 0 391.295 1.770 20 0 GDADRO COC(=O)[C@H]1CN(Cc2cn3cc(Br)ccc3n2)CC[N@H+](C)C1 ZINC000591044942 652155906 /nfs/dbraw/zinc/15/59/06/652155906.db2.gz QWLIRZQEPNSNRR-GFCCVEGCSA-N 1 0 381.274 1.633 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000591305003 652161261 /nfs/dbraw/zinc/16/12/61/652161261.db2.gz YBELZKLIKPVXLK-LURJTMIESA-N 1 0 381.601 1.347 20 0 GDADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000592208002 652177019 /nfs/dbraw/zinc/17/70/19/652177019.db2.gz LZBMURFARRWSKE-WXHSDQCUSA-N 1 0 378.252 1.589 20 0 GDADRO CCOC[C@H](O)C[NH+]1CCN(CCOc2cccc(Br)c2)CC1 ZINC000592262394 652180009 /nfs/dbraw/zinc/18/00/09/652180009.db2.gz IDKMSVKKNPCPDB-MRXNPFEDSA-N 1 0 387.318 1.843 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c1OC ZINC000592390297 652188387 /nfs/dbraw/zinc/18/83/87/652188387.db2.gz PGHLCGTXTDNRGV-ZDUSSCGKSA-N 1 0 388.873 1.556 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000592395491 652188788 /nfs/dbraw/zinc/18/87/88/652188788.db2.gz CJKZPKZVGUDYMQ-IUCAKERBSA-N 1 0 379.276 1.640 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000593617702 652224899 /nfs/dbraw/zinc/22/48/99/652224899.db2.gz QOIFHBDGOGAELJ-AWEZNQCLSA-N 1 0 391.921 1.315 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)s1 ZINC000593730760 652244915 /nfs/dbraw/zinc/24/49/15/652244915.db2.gz ZTWKZWSBAXWRTF-UHFFFAOYSA-N 1 0 388.442 1.620 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000593734546 652245861 /nfs/dbraw/zinc/24/58/61/652245861.db2.gz MVHGBTYVRZHEEW-IACUBPJLSA-N 1 0 388.511 1.442 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1c[nH]c2cccc(Br)c21 ZINC000593906349 652261387 /nfs/dbraw/zinc/26/13/87/652261387.db2.gz BLLATBIGSPZOPZ-CYBMUJFWSA-N 1 0 380.242 1.908 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000593917982 652261965 /nfs/dbraw/zinc/26/19/65/652261965.db2.gz ODLPKPJPOPUMIU-YNZJMPHRSA-N 1 0 385.258 1.412 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000594368259 652281064 /nfs/dbraw/zinc/28/10/64/652281064.db2.gz NHRFBGLUUYFCFI-LBPRGKRZSA-N 1 0 389.315 1.681 20 0 GDADRO O=C(Cc1ccccc1I)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394262 652281554 /nfs/dbraw/zinc/28/15/54/652281554.db2.gz WBCSUVPTTUVGCM-QWHCGFSZSA-N 1 0 386.233 1.111 20 0 GDADRO COc1cc(C[NH2+]C[C@@](C)(CO)OC)cc(I)c1OC ZINC000594508934 652309546 /nfs/dbraw/zinc/30/95/46/652309546.db2.gz FAFZYCOFQHFWRO-AWEZNQCLSA-N 1 0 395.237 1.795 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000594694522 652347487 /nfs/dbraw/zinc/34/74/87/652347487.db2.gz LJCHAXLOTMABQK-HUUCEWRRSA-N 1 0 383.539 1.502 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(c3ncc(Br)c4ccc(F)cc43)CCN2C1=O ZINC000594701910 652350464 /nfs/dbraw/zinc/35/04/64/652350464.db2.gz QKFXEXBOTWQWTC-QMTHXVAHSA-N 1 0 379.233 1.885 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594872835 652384335 /nfs/dbraw/zinc/38/43/35/652384335.db2.gz SXRMKFOVLUGJPW-AWEZNQCLSA-N 1 0 385.917 1.609 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCCCc3ccc(Br)cc3)CCN2C1=O ZINC000594876932 652384581 /nfs/dbraw/zinc/38/45/81/652384581.db2.gz JIGGGTZUCZYWEG-JKSUJKDBSA-N 1 0 394.313 1.932 20 0 GDADRO CC(C)Oc1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1Br ZINC000594879315 652385337 /nfs/dbraw/zinc/38/53/37/652385337.db2.gz MPXJJTTZVQUDFA-OCCSQVGLSA-N 1 0 396.285 1.620 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCCc3cccc(Br)c3)CCN2C1=O ZINC000594886013 652386097 /nfs/dbraw/zinc/38/60/97/652386097.db2.gz UDCAPFFBDFPSGU-LSDHHAIUSA-N 1 0 380.286 1.542 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000595231379 652399555 /nfs/dbraw/zinc/39/95/55/652399555.db2.gz RNTLJBIIXMVSMK-QMMMGPOBSA-N 1 0 391.209 1.807 20 0 GDADRO C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc(F)c(Br)c1 ZINC000595267303 652401362 /nfs/dbraw/zinc/40/13/62/652401362.db2.gz WTFQNRPEFMOTLJ-PXWWUCIGSA-N 1 0 399.264 1.603 20 0 GDADRO COC(=O)[C@H](c1ccccc1Br)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000595298528 652402113 /nfs/dbraw/zinc/40/21/13/652402113.db2.gz QWJTXGJUWAZNKI-INIZCTEOSA-N 1 0 398.301 1.369 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)s1 ZINC000595404935 652417731 /nfs/dbraw/zinc/41/77/31/652417731.db2.gz OYSBNONVXWBLGB-GFCCVEGCSA-N 1 0 376.500 1.266 20 0 GDADRO [NH3+]C1CCN(C(=O)c2sc3c(c2I)CNC3)CC1 ZINC000595919053 652426391 /nfs/dbraw/zinc/42/63/91/652426391.db2.gz FNPPSNNEOWYJFD-UHFFFAOYSA-N 1 0 377.251 1.519 20 0 GDADRO COC(=O)c1cnc([C@H]2CCC[N@H+](CCCS(=O)(=O)N(C)C)C2)s1 ZINC000595913598 652426488 /nfs/dbraw/zinc/42/64/88/652426488.db2.gz IMBAJOUBEMMWLW-LBPRGKRZSA-N 1 0 375.516 1.391 20 0 GDADRO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1sc2c(c1Br)CNC2 ZINC000595957301 652430765 /nfs/dbraw/zinc/43/07/65/652430765.db2.gz TURXAXNDKSCMNT-KCJUWKMLSA-N 1 0 389.271 1.252 20 0 GDADRO COC(=O)CCNC(=O)CC[NH2+]Cc1cc(Br)c(OC)s1 ZINC000599007464 652477599 /nfs/dbraw/zinc/47/75/99/652477599.db2.gz KZPWGTMPRQCIJJ-UHFFFAOYSA-N 1 0 379.276 1.678 20 0 GDADRO NC(=O)NC(=O)CCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599573698 652509057 /nfs/dbraw/zinc/50/90/57/652509057.db2.gz UZRHESDQJWFOFF-MRXNPFEDSA-N 1 0 384.274 1.234 20 0 GDADRO COC(=O)Cc1csc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000599597154 652510211 /nfs/dbraw/zinc/51/02/11/652510211.db2.gz UUVMULYUPQRJLG-WCBMZHEXSA-N 1 0 380.392 1.850 20 0 GDADRO C[NH2+]CCOCCNC(=O)Nc1cc(F)c(Br)cc1C(=O)OC ZINC000599603034 652510648 /nfs/dbraw/zinc/51/06/48/652510648.db2.gz CZQHCBODIJYKTJ-UHFFFAOYSA-N 1 0 392.225 1.732 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000600906704 652558916 /nfs/dbraw/zinc/55/89/16/652558916.db2.gz QDHVBOUCSDNWCW-AWEZNQCLSA-N 1 0 385.965 1.475 20 0 GDADRO C[NH+](C)[C@@]1(CNS(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)CCSC1 ZINC000601365095 652571370 /nfs/dbraw/zinc/57/13/70/652571370.db2.gz PGABNCIABXSMIY-XJKSGUPXSA-N 1 0 393.575 1.064 20 0 GDADRO CCOC(=O)c1csc(C2CCN(S(=O)(=O)CCC[NH+](C)C)CC2)n1 ZINC000601404552 652577314 /nfs/dbraw/zinc/57/73/14/652577314.db2.gz YAHNQGOJPPUMKH-UHFFFAOYSA-N 1 0 389.543 1.781 20 0 GDADRO COC(=O)[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)[C@H]1CCC[C@@H](OC)C1 ZINC000601455436 652584460 /nfs/dbraw/zinc/58/44/60/652584460.db2.gz FIEABGQGOKPUGY-ARFHVFGLSA-N 1 0 376.519 1.139 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1I ZINC000601574262 652594949 /nfs/dbraw/zinc/59/49/49/652594949.db2.gz JTOPRSWZDOTTDW-VHSXEESVSA-N 1 0 387.221 1.486 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc2[nH]cc(I)c2c1 ZINC000602192476 652623750 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O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596437 653541531 /nfs/dbraw/zinc/54/15/31/653541531.db2.gz PIEPCMQSZJNGPV-OCCSQVGLSA-N 1 0 382.258 1.049 20 0 GDADRO O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596573 653541596 /nfs/dbraw/zinc/54/15/96/653541596.db2.gz QSWWMRRLFVVNBI-OCCSQVGLSA-N 1 0 398.326 1.766 20 0 GDADRO CC(=O)N[C@H](CC(=O)NCCOCCC[NH3+])c1ccc(Br)cc1 ZINC000638656522 653542115 /nfs/dbraw/zinc/54/21/15/653542115.db2.gz RQWVWULAYCTORW-OAHLLOKOSA-N 1 0 386.290 1.498 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C[NH2+]1 ZINC000638654768 653542189 /nfs/dbraw/zinc/54/21/89/653542189.db2.gz GLKHSBFTIRPSCG-CMPLNLGQSA-N 1 0 394.269 1.692 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000638772329 653543192 /nfs/dbraw/zinc/54/31/92/653543192.db2.gz PGUIKZCLYACCHU-BLLLJJGKSA-N 1 0 385.917 1.607 20 0 GDADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638828103 653544547 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CN1CCN(C(=O)CC[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000639776683 653553755 /nfs/dbraw/zinc/55/37/55/653553755.db2.gz OTXVKNOSUMBVMU-HNNXBMFYSA-N 1 0 397.317 1.461 20 0 GDADRO CC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639819164 653554112 /nfs/dbraw/zinc/55/41/12/653554112.db2.gz FVZGHCKDXCFZDZ-NSHDSACASA-N 1 0 375.420 1.918 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1c(Br)c(C)nn1C ZINC000640166850 653556093 /nfs/dbraw/zinc/55/60/93/653556093.db2.gz GNPYYGGGDZUNPX-LLVKDONJSA-N 1 0 376.299 1.705 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)n1cc([C@@H]([NH3+])CO)nn1 ZINC000640925748 653560642 /nfs/dbraw/zinc/56/06/42/653560642.db2.gz MNJZTTPBUASPRP-GWCFXTLKSA-N 1 0 382.262 1.252 20 0 GDADRO [NH3+][C@@H](CO)c1cn(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nn1 ZINC000641003243 653562158 /nfs/dbraw/zinc/56/21/58/653562158.db2.gz PQUNUMXXFFCNAY-ZFWWWQNUSA-N 1 0 384.267 1.941 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(C[C@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641197713 653562719 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O=C(NCCc1nc(C(F)(F)F)cs1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642779013 653579264 /nfs/dbraw/zinc/57/92/64/653579264.db2.gz ZSMXTAQBEFIGGG-NXEZZACHSA-N 1 0 376.404 1.031 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000642905400 653579696 /nfs/dbraw/zinc/57/96/96/653579696.db2.gz LUWKDYAQOZLXJR-ZDUSSCGKSA-N 1 0 398.301 1.674 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000642908975 653579714 /nfs/dbraw/zinc/57/97/14/653579714.db2.gz CUMQNAWRFDPFPM-CHWSQXEVSA-N 1 0 397.317 1.118 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCCC[NH+](C)C)s1 ZINC000643216315 653580860 /nfs/dbraw/zinc/58/08/60/653580860.db2.gz FSVZEMSPDSLDIQ-UHFFFAOYSA-N 1 0 376.548 1.530 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)CC[C@H]1[NH3+] ZINC000643503965 653583231 /nfs/dbraw/zinc/58/32/31/653583231.db2.gz WJICLTDBQCINQA-MLGOLLRUSA-N 1 0 394.313 1.920 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCc4cc(Br)ccc4C3)C[C@H]12 ZINC000643542284 653583421 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CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1CCN(C)C1=O ZINC000644834735 653600587 /nfs/dbraw/zinc/60/05/87/653600587.db2.gz ZURBZLAIJQGTCH-CYBMUJFWSA-N 1 0 397.317 1.864 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(Br)cc1 ZINC000645213611 653601955 /nfs/dbraw/zinc/60/19/55/653601955.db2.gz ADRGOXKYDHMKLR-LBPRGKRZSA-N 1 0 383.290 1.711 20 0 GDADRO C[N@@H+]1CCCN(CCCNC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000645425834 653602603 /nfs/dbraw/zinc/60/26/03/653602603.db2.gz BDCCEKDKOZUASU-UHFFFAOYSA-N 1 0 384.318 1.841 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000645620461 653604869 /nfs/dbraw/zinc/60/48/69/653604869.db2.gz HBCJRLPTICDMBF-SMDDNHRTSA-N 1 0 396.285 1.949 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(F)c3Br)[C@@H]2C1 ZINC000645625924 653604998 /nfs/dbraw/zinc/60/49/98/653604998.db2.gz NEIJHCLQCSGKOV-QPUJVOFHSA-N 1 0 388.212 1.828 20 0 GDADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ncccc2C(F)(F)F)CCCO1 ZINC000645681842 653605698 /nfs/dbraw/zinc/60/56/98/653605698.db2.gz XBBBACDOUPYREQ-GFCCVEGCSA-N 1 0 381.420 1.880 20 0 GDADRO CO[C@@H](CS(=O)(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)C1CCOCC1 ZINC000645743361 653606409 /nfs/dbraw/zinc/60/64/09/653606409.db2.gz XBHLLKYSXKRAAO-ROUUACIJSA-N 1 0 376.563 1.858 20 0 GDADRO COc1cc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c(Br)cc1O ZINC000645923331 653607926 /nfs/dbraw/zinc/60/79/26/653607926.db2.gz UHGFKZMVQBIGNB-OAHLLOKOSA-N 1 0 390.278 1.275 20 0 GDADRO COc1cc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)c(Br)cc1O ZINC000645923326 653607929 /nfs/dbraw/zinc/60/79/29/653607929.db2.gz UASYCLWQNFHKOJ-OAHLLOKOSA-N 1 0 388.262 1.029 20 0 GDADRO COc1ccc(Br)cc1C1([NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC000645974250 653608219 /nfs/dbraw/zinc/60/82/19/653608219.db2.gz DOKLSNAOYBXMIC-UHFFFAOYSA-N 1 0 382.258 1.978 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)C[C@H]3C[NH2+]CCO3)C2=O)ccc1Br ZINC000646516837 653610554 /nfs/dbraw/zinc/61/05/54/653610554.db2.gz NWXNFNPOKPYTRC-ZFWWWQNUSA-N 1 0 396.285 1.358 20 0 GDADRO CCC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)S(N)(=O)=O ZINC000646602487 653611418 /nfs/dbraw/zinc/61/14/18/653611418.db2.gz QZOQZQCOFCRPMJ-INIZCTEOSA-N 1 0 387.933 1.878 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000646743982 653612985 /nfs/dbraw/zinc/61/29/85/653612985.db2.gz MDAJLENBYKTJTB-LBPRGKRZSA-N 1 0 391.331 1.975 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000646848365 653614898 /nfs/dbraw/zinc/61/48/98/653614898.db2.gz PVAFXTSEMOGJOP-NHYWBVRUSA-N 1 0 379.258 1.823 20 0 GDADRO CC1([NH3+])CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)CC1 ZINC000646995864 653618798 /nfs/dbraw/zinc/61/87/98/653618798.db2.gz VAUKYSJDEIUNLF-UHFFFAOYSA-N 1 0 382.258 1.514 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)C(C)C)cc1 ZINC000647070437 653619957 /nfs/dbraw/zinc/61/99/57/653619957.db2.gz HBANCZSQXRVPLF-KGLIPLIRSA-N 1 0 377.457 1.397 20 0 GDADRO C[C@@H](CC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)n1cc(Br)cn1 ZINC000647087539 653620413 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1.671 20 0 GDADRO C[C@H](NC(=O)CCOc1ccc(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000655082797 653958352 /nfs/dbraw/zinc/95/83/52/653958352.db2.gz LPPUWJYTZKLMGT-NSHDSACASA-N 1 0 376.284 1.945 20 0 GDADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)c2scc3c2OCCO3)c1 ZINC000655414460 653969057 /nfs/dbraw/zinc/96/90/57/653969057.db2.gz QHYKMALONVMLDK-UHFFFAOYSA-N 1 0 383.451 1.009 20 0 GDADRO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655506954 653972085 /nfs/dbraw/zinc/97/20/85/653972085.db2.gz HGMBEJQMEIUTFK-LBPRGKRZSA-N 1 0 381.420 1.691 20 0 GDADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(F)(F)F ZINC000655508772 653972592 /nfs/dbraw/zinc/97/25/92/653972592.db2.gz GCSSEMMKMWIZTH-NXEZZACHSA-N 1 0 385.433 1.297 20 0 GDADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(F)(F)F ZINC000655509420 653972998 /nfs/dbraw/zinc/97/29/98/653972998.db2.gz MWCHXVQDPKQURP-DGCLKSJQSA-N 1 0 379.404 1.093 20 0 GDADRO [NH3+]C[C@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)C(F)(F)F 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1.091 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000658401249 654190179 /nfs/dbraw/zinc/19/01/79/654190179.db2.gz AXYJMKOQSXICAN-LBPRGKRZSA-N 1 0 388.511 1.052 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)c(C)c2)CC1 ZINC000658407642 654190652 /nfs/dbraw/zinc/19/06/52/654190652.db2.gz CVBVMAQBDFEDMQ-UHFFFAOYSA-N 1 0 387.933 1.917 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000658406046 654190692 /nfs/dbraw/zinc/19/06/92/654190692.db2.gz OUMBZIDEXMTROY-UHFFFAOYSA-N 1 0 375.288 1.878 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658476363 654195069 /nfs/dbraw/zinc/19/50/69/654195069.db2.gz WXFXZMAUYNPGKO-UHFFFAOYSA-N 1 0 382.302 1.818 20 0 GDADRO CCN(C(=O)C(=O)N(C)Cc1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000658806619 654206391 /nfs/dbraw/zinc/20/63/91/654206391.db2.gz HQHUFSZKUXDRRT-HNNXBMFYSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658901523 654211066 /nfs/dbraw/zinc/21/10/66/654211066.db2.gz LCIKCKHPYZWGOQ-ZDUSSCGKSA-N 1 0 386.279 1.990 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659073666 654215330 /nfs/dbraw/zinc/21/53/30/654215330.db2.gz CSGRXDGWIGULGF-UHFFFAOYSA-N 1 0 376.201 1.782 20 0 GDADRO C[C@H](COc1c(F)cccc1F)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000659357314 654223594 /nfs/dbraw/zinc/22/35/94/654223594.db2.gz XGDXNFKAQDNYGF-LLVKDONJSA-N 1 0 376.425 1.015 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659444164 654227240 /nfs/dbraw/zinc/22/72/40/654227240.db2.gz WFZVHLJLGYEVDO-JTQLQIEISA-N 1 0 394.273 1.834 20 0 GDADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659612838 654229852 /nfs/dbraw/zinc/22/98/52/654229852.db2.gz BGEILOHCIWZQHT-XNYLIXPXSA-N 1 0 398.301 1.885 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659632016 654230436 /nfs/dbraw/zinc/23/04/36/654230436.db2.gz NTGBXDLVAKOWRA-UHFFFAOYSA-N 1 0 394.273 1.788 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CCO1 ZINC000660155137 654241888 /nfs/dbraw/zinc/24/18/88/654241888.db2.gz GGWJRQHKHWEXMF-LBPRGKRZSA-N 1 0 381.420 1.832 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CCO1 ZINC000660158612 654242296 /nfs/dbraw/zinc/24/22/96/654242296.db2.gz WGYRVKAVJPYWNO-JTQLQIEISA-N 1 0 384.395 1.974 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCNC(=O)[C@H]1c1ccccc1Br ZINC000660161333 654242782 /nfs/dbraw/zinc/24/27/82/654242782.db2.gz IXERNNPEQDUTOD-CZUORRHYSA-N 1 0 384.318 1.623 20 0 GDADRO CC(C)[N@H+](C)C[C@H](O)CN1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000660462681 654250245 /nfs/dbraw/zinc/25/02/45/654250245.db2.gz UAADHIHKKZABEP-JKSUJKDBSA-N 1 0 384.318 1.623 20 0 GDADRO COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661577240 654276382 /nfs/dbraw/zinc/27/63/82/654276382.db2.gz XQXXIHXEOZLULD-RHSMWYFYSA-N 1 0 387.318 1.984 20 0 GDADRO CN(Cc1nnnn1-c1ccccc1Br)[C@H](C[NH3+])C(F)(F)F ZINC000662328921 654293052 /nfs/dbraw/zinc/29/30/52/654293052.db2.gz HRJUXFDUYBZRPH-SNVBAGLBSA-N 1 0 379.184 1.746 20 0 GDADRO C[C@@H](CNC(=O)c1sc2c(c1Br)CNC2)N1CC[NH+](C)CC1 ZINC000662464775 654294773 /nfs/dbraw/zinc/29/47/73/654294773.db2.gz QVMJVPXDWDLCTL-JTQLQIEISA-N 1 0 387.347 1.480 20 0 GDADRO O=C(Nc1cccc(N2CCCS2(=O)=O)c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662489129 654296601 /nfs/dbraw/zinc/29/66/01/654296601.db2.gz HDMLSPUDQUQEFT-CQSZACIVSA-N 1 0 377.388 1.707 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662596342 654297546 /nfs/dbraw/zinc/29/75/46/654297546.db2.gz RTXZUKFNXSCABL-UKRRQHHQSA-N 1 0 385.555 1.653 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000662683663 654299387 /nfs/dbraw/zinc/29/93/87/654299387.db2.gz VKSPNNKZENMHEB-UHFFFAOYSA-N 1 0 387.299 1.314 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662884378 654316706 /nfs/dbraw/zinc/31/67/06/654316706.db2.gz ODRZOXCZWDLZSB-ZDUSSCGKSA-N 1 0 381.479 1.617 20 0 GDADRO CN(C(=O)CC[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1 ZINC000663365083 654334889 /nfs/dbraw/zinc/33/48/89/654334889.db2.gz GJRXNZYRRFZYKR-HNNXBMFYSA-N 1 0 382.507 1.525 20 0 GDADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664471007 654381482 /nfs/dbraw/zinc/38/14/82/654381482.db2.gz JCKWTIIXVYYTOH-CQSZACIVSA-N 1 0 398.301 1.895 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000665832900 654413217 /nfs/dbraw/zinc/41/32/17/654413217.db2.gz MKKRFGDWCBFSKP-UHFFFAOYSA-N 1 0 382.515 1.750 20 0 GDADRO C[Si](C)(C)C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000731355549 654432931 /nfs/dbraw/zinc/43/29/31/654432931.db2.gz GHEILOWEKWMGJQ-UHFFFAOYSA-N 1 0 383.546 1.201 20 0 GDADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000731843208 654447743 /nfs/dbraw/zinc/44/77/43/654447743.db2.gz MJVWERODVIWCND-DIJNDRRESA-N 1 0 382.404 1.354 20 0 GDADRO CN1CCN(C(=O)Nc2nc(SCc3ccccc3)ns2)[C@H](C[NH3+])C1 ZINC000667218246 654448048 /nfs/dbraw/zinc/44/80/48/654448048.db2.gz INIUGSHXNINIQV-CYBMUJFWSA-N 1 0 378.527 1.937 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CCO1 ZINC000667404105 654448837 /nfs/dbraw/zinc/44/88/37/654448837.db2.gz AVTVONYHOCQQMH-PELKAZGASA-N 1 0 377.775 1.455 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CCO1 ZINC000667404300 654448934 /nfs/dbraw/zinc/44/89/34/654448934.db2.gz JNKUHIMKIRPYRA-PELKAZGASA-N 1 0 379.766 1.872 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000667404791 654449403 /nfs/dbraw/zinc/44/94/03/654449403.db2.gz XODJLZYNZODJQI-FZMZJTMJSA-N 1 0 384.274 1.579 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@H]([NH+](C)C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000731896850 654451736 /nfs/dbraw/zinc/45/17/36/654451736.db2.gz LLGOYGQZCCIIOF-OLZOCXBDSA-N 1 0 388.921 1.345 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667537017 654454073 /nfs/dbraw/zinc/45/40/73/654454073.db2.gz OOWNGZXLKPPPAQ-DGCLKSJQSA-N 1 0 396.285 1.915 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1Br ZINC000667537458 654454245 /nfs/dbraw/zinc/45/42/45/654454245.db2.gz YGFHCUAMLAJADV-GWCFXTLKSA-N 1 0 382.258 1.607 20 0 GDADRO CC(C)(C)N1NC=C2C[NH+]=C(NNC(=S)Nc3ccc(Cl)nc3)N=C21 ZINC000731947255 654455114 /nfs/dbraw/zinc/45/51/14/654455114.db2.gz BOORTOVWTKOWDD-UHFFFAOYSA-N 1 0 378.893 1.797 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000731952393 654455964 /nfs/dbraw/zinc/45/59/64/654455964.db2.gz VBULZQFFWOTEGQ-OAHLLOKOSA-N 1 0 382.555 1.802 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000667562503 654456051 /nfs/dbraw/zinc/45/60/51/654456051.db2.gz DYBYOYZUPUIKLM-LBPRGKRZSA-N 1 0 393.289 1.887 20 0 GDADRO CCC[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C)S(N)(=O)=O ZINC000667599846 654458313 /nfs/dbraw/zinc/45/83/13/654458313.db2.gz BTTRDMYQBZUZCA-MRXNPFEDSA-N 1 0 385.555 1.940 20 0 GDADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000732134861 654461272 /nfs/dbraw/zinc/46/12/72/654461272.db2.gz BDPNXFHJGASPOV-HUUCEWRRSA-N 1 0 376.588 1.924 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000668022382 654470368 /nfs/dbraw/zinc/47/03/68/654470368.db2.gz FDTGFZZOPLAULU-LBPRGKRZSA-N 1 0 379.262 1.591 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000732985681 654495130 /nfs/dbraw/zinc/49/51/30/654495130.db2.gz MSXPPDMSDLXTRA-UHFFFAOYSA-N 1 0 396.481 1.444 20 0 GDADRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000769997372 654495293 /nfs/dbraw/zinc/49/52/93/654495293.db2.gz ZHJSXGVTVYOMQT-PKFHVXLBSA-N 1 0 390.527 1.390 20 0 GDADRO CC(C)[C@H](C[NH+](C)C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000733165815 654501183 /nfs/dbraw/zinc/50/11/83/654501183.db2.gz MOIKAGHFWUFTRC-HNNXBMFYSA-N 1 0 375.922 1.663 20 0 GDADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000733168064 654501213 /nfs/dbraw/zinc/50/12/13/654501213.db2.gz QTFGAODURIHUPB-CYBMUJFWSA-N 1 0 392.319 1.413 20 0 GDADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000669405853 654504330 /nfs/dbraw/zinc/50/43/30/654504330.db2.gz XIJCMFWVAAAKJB-LBPRGKRZSA-N 1 0 381.832 1.410 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(C)s1 ZINC000669539182 654505234 /nfs/dbraw/zinc/50/52/34/654505234.db2.gz YUZCQVUDVFOFCW-KGLIPLIRSA-N 1 0 386.543 1.037 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669541260 654505289 /nfs/dbraw/zinc/50/52/89/654505289.db2.gz AFHSLFDACDOXKS-GHMZBOCLSA-N 1 0 392.934 1.073 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000669541375 654505789 /nfs/dbraw/zinc/50/57/89/654505789.db2.gz ZIMADTLUOBOOEQ-ZJUUUORDSA-N 1 0 380.923 1.059 20 0 GDADRO COc1cc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cnc1Cl ZINC000770293801 654508345 /nfs/dbraw/zinc/50/83/45/654508345.db2.gz UADBZZUXBZYZKF-GFCCVEGCSA-N 1 0 376.910 1.048 20 0 GDADRO COC(=O)C[C@]1([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CCCOC1 ZINC000770701887 654519517 /nfs/dbraw/zinc/51/95/17/654519517.db2.gz VTESEOCIGBYXQX-MRXNPFEDSA-N 1 0 375.874 1.816 20 0 GDADRO O=C(NCc1sccc1Br)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671099430 654531533 /nfs/dbraw/zinc/53/15/33/654531533.db2.gz DQOCKQVFZSBGAU-MNOVXSKESA-N 1 0 386.315 1.870 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000771574068 654540793 /nfs/dbraw/zinc/54/07/93/654540793.db2.gz PRCHXHXRORUPMD-UHFFFAOYSA-N 1 0 385.917 1.901 20 0 GDADRO O=Cc1ccc(OCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Br)c1 ZINC000771650912 654544377 /nfs/dbraw/zinc/54/43/77/654544377.db2.gz MRMHWDRYBPFRBI-CQSZACIVSA-N 1 0 399.285 1.603 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000671824331 654545118 /nfs/dbraw/zinc/54/51/18/654545118.db2.gz GWRYYRADCQYJJX-LBPRGKRZSA-N 1 0 388.693 1.929 20 0 GDADRO C[C@H]([NH2+][C@H](CO)C1CC1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000771811933 654548588 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C[C@H]([NH2+][C@@H]1CCSC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773030584 654578377 /nfs/dbraw/zinc/57/83/77/654578377.db2.gz UEZXHJPWXMLTSG-WCQYABFASA-N 1 0 378.541 1.568 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C[C@H]1C ZINC000673695716 654581297 /nfs/dbraw/zinc/58/12/97/654581297.db2.gz AXJDONBGUIWMMV-MNOVXSKESA-N 1 0 381.420 1.244 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=S)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000773168805 654584952 /nfs/dbraw/zinc/58/49/52/654584952.db2.gz IKHBIJXPRXCFOX-UHFFFAOYSA-N 1 0 382.555 1.173 20 0 GDADRO CCCC[NH+]1CCC(NS(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000773348205 654590770 /nfs/dbraw/zinc/59/07/70/654590770.db2.gz UGGWMVCUEWATIH-UHFFFAOYSA-N 1 0 375.535 1.790 20 0 GDADRO Cc1nc2n(n1)C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)CC2 ZINC000674303543 654596766 /nfs/dbraw/zinc/59/67/66/654596766.db2.gz AJHSRVJLPMFWAO-ZDUSSCGKSA-N 1 0 399.314 1.727 20 0 GDADRO CCN1C(=O)[C@@H]2C[N@H+](CCOc3ccc(Br)cc3)CCN2C1=O ZINC000674472122 654600629 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C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cc(Br)cn1 ZINC000676589583 654646694 /nfs/dbraw/zinc/64/66/94/654646694.db2.gz QAPPXUHKGDEUPS-QLFBSQMISA-N 1 0 385.306 1.746 20 0 GDADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000676845934 654651336 /nfs/dbraw/zinc/65/13/36/654651336.db2.gz HTYACYZIZIOESB-GXTWGEPZSA-N 1 0 389.543 1.070 20 0 GDADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775146585 654654648 /nfs/dbraw/zinc/65/46/48/654654648.db2.gz GIHZHWPQKZMOEO-CABCVRRESA-N 1 0 384.307 1.935 20 0 GDADRO O=C(CCn1cc(Br)cn1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000676905286 654657128 /nfs/dbraw/zinc/65/71/28/654657128.db2.gz SPPNIXAGQLVKDZ-HNNXBMFYSA-N 1 0 385.306 1.749 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cccs1 ZINC000775417864 654666088 /nfs/dbraw/zinc/66/60/88/654666088.db2.gz XWOYTMXIQGFTIC-NMKXLXIOSA-N 1 0 379.594 1.852 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000775693729 654671888 /nfs/dbraw/zinc/67/18/88/654671888.db2.gz PLQWSXYLMKSQHS-HUUCEWRRSA-N 1 0 377.551 1.941 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000677970955 654680222 /nfs/dbraw/zinc/68/02/22/654680222.db2.gz QZHGQLUZVSGHJE-CYBMUJFWSA-N 1 0 396.285 1.997 20 0 GDADRO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000741262649 654685206 /nfs/dbraw/zinc/68/52/06/654685206.db2.gz VVIUGWKZXADVNU-UHFFFAOYSA-N 1 0 383.901 1.863 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C(C)(C)O ZINC000776896507 654709973 /nfs/dbraw/zinc/70/99/73/654709973.db2.gz NSPAKDJDTCJEPA-NWDGAFQWSA-N 1 0 378.516 1.222 20 0 GDADRO O=C(Cc1ccc(Br)cc1O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000682031518 654746148 /nfs/dbraw/zinc/74/61/48/654746148.db2.gz KTOMKCHALMGPJS-CABCVRRESA-N 1 0 383.286 1.755 20 0 GDADRO CC(C)[C@@H](CNC(=O)NCCOCCS(C)(=O)=O)[NH+]1CCCCCC1 ZINC000745434828 654746441 /nfs/dbraw/zinc/74/64/41/654746441.db2.gz SQFONPIXHKRDGC-MRXNPFEDSA-N 1 0 377.551 1.247 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000779092510 654754575 /nfs/dbraw/zinc/75/45/75/654754575.db2.gz CIXSUPSSPVINFA-HUUCEWRRSA-N 1 0 375.535 1.695 20 0 GDADRO CCC[N@H+](CCN1CCCS1(=O)=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000746515128 654763638 /nfs/dbraw/zinc/76/36/38/654763638.db2.gz GNRLXAIGGXABNQ-HNNXBMFYSA-N 1 0 375.535 1.743 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000746771303 654767492 /nfs/dbraw/zinc/76/74/92/654767492.db2.gz MUTDPUQLMIZJFN-OAHLLOKOSA-N 1 0 377.551 1.342 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCCOCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000746768519 654767509 /nfs/dbraw/zinc/76/75/09/654767509.db2.gz YBPOSEPWDJJOCR-OAHLLOKOSA-N 1 0 391.921 1.303 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000779764238 654767569 /nfs/dbraw/zinc/76/75/69/654767569.db2.gz SUYPFASSMAOILB-SNVBAGLBSA-N 1 0 387.303 1.460 20 0 GDADRO CC(C)N1C(=O)C[C@H]([NH2+]CCCS(N)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000683146900 654768616 /nfs/dbraw/zinc/76/86/16/654768616.db2.gz QVUTVJXQBGMIFO-GOEBONIOSA-N 1 0 391.896 1.798 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000683618530 654780093 /nfs/dbraw/zinc/78/00/93/654780093.db2.gz ZIUNTSRKSUMTML-GFCCVEGCSA-N 1 0 397.273 1.104 20 0 GDADRO Cc1nc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)sc1C ZINC000683632574 654781119 /nfs/dbraw/zinc/78/11/19/654781119.db2.gz DSOXHYUYANWCET-UHFFFAOYSA-N 1 0 382.511 1.852 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000747412060 654784795 /nfs/dbraw/zinc/78/47/95/654784795.db2.gz KTXBCDPVFOFIFA-UHFFFAOYSA-N 1 0 385.258 1.213 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000683912687 654787281 /nfs/dbraw/zinc/78/72/81/654787281.db2.gz MYPMBRGSZOHMHP-QGZVFWFLSA-N 1 0 399.285 1.749 20 0 GDADRO Cc1nc(CS(=O)(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cs1 ZINC000684106148 654791623 /nfs/dbraw/zinc/79/16/23/654791623.db2.gz GBMYTHHHFXFYHK-UHFFFAOYSA-N 1 0 386.587 1.631 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000684276339 654795576 /nfs/dbraw/zinc/79/55/76/654795576.db2.gz GWAIFRRPQQUCPV-GFCCVEGCSA-N 1 0 379.404 1.901 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748707513 654810951 /nfs/dbraw/zinc/81/09/51/654810951.db2.gz CKUBUCVIQKVUIV-UHFFFAOYSA-N 1 0 385.917 1.902 20 0 GDADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccnc1Cl ZINC000781751894 654816360 /nfs/dbraw/zinc/81/63/60/654816360.db2.gz LVTUSGIESUECDW-HNNXBMFYSA-N 1 0 381.885 1.780 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)ccc1Cl ZINC000685325221 654817154 /nfs/dbraw/zinc/81/71/54/654817154.db2.gz JNSFDJHTUBWGTF-CYBMUJFWSA-N 1 0 381.889 1.536 20 0 GDADRO CCS(=O)(=O)CCn1cc(C)c(NC(=S)NCC(C)(C)C[NH+](C)C)n1 ZINC000782450675 654832155 /nfs/dbraw/zinc/83/21/55/654832155.db2.gz ZMGWGMQDTURQNL-UHFFFAOYSA-N 1 0 389.591 1.500 20 0 GDADRO CO[C@]1(C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)CCS(=O)(=O)C1 ZINC000721149788 654838375 /nfs/dbraw/zinc/83/83/75/654838375.db2.gz UHLPCKYWCBUKFF-PBHICJAKSA-N 1 0 378.535 1.577 20 0 GDADRO C[C@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H]1CCCO1 ZINC000721744134 654839180 /nfs/dbraw/zinc/83/91/80/654839180.db2.gz FYXNJTHJBKVMLV-SOUVJXGZSA-N 1 0 376.519 1.568 20 0 GDADRO COC(C)(C)[C@H](C)[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721752544 654839649 /nfs/dbraw/zinc/83/96/49/654839649.db2.gz LZAVHTGKGSRYMP-KBPBESRZSA-N 1 0 378.535 1.814 20 0 GDADRO CC(C)(C)OC(=O)NC1CCN(CC[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000721858195 654840193 /nfs/dbraw/zinc/84/01/93/654840193.db2.gz HLXBXYKARUYBSL-OAHLLOKOSA-N 1 0 375.535 1.142 20 0 GDADRO C[NH+]1CCC(NC(=S)NCCNC(=O)c2cccc(Br)c2)CC1 ZINC000749786119 654840677 /nfs/dbraw/zinc/84/06/77/654840677.db2.gz YAOBZBMEFYGQIO-UHFFFAOYSA-N 1 0 399.358 1.737 20 0 GDADRO O=c1oc2ccc(Br)cc2n1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000749955007 654844944 /nfs/dbraw/zinc/84/49/44/654844944.db2.gz RAROBBBQMKLORD-CYBMUJFWSA-N 1 0 396.285 1.969 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000749961852 654845266 /nfs/dbraw/zinc/84/52/66/654845266.db2.gz KGTBUINECFWQOG-UHFFFAOYSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@H](CNC(=S)NCc1ccc(S(N)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000726472312 654854039 /nfs/dbraw/zinc/85/40/39/654854039.db2.gz QJCZVSHDFZWGFR-CQSZACIVSA-N 1 0 384.571 1.420 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=S)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000726485223 654854408 /nfs/dbraw/zinc/85/44/08/654854408.db2.gz LXGUBEJQXKMZPG-HNNXBMFYSA-N 1 0 384.571 1.419 20 0 GDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC=C(Br)C1 ZINC000799838772 654860818 /nfs/dbraw/zinc/86/08/18/654860818.db2.gz SMRXLENZPYKJTN-UHFFFAOYSA-N 1 0 376.214 1.717 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NCCS(=O)(=O)CCc1ccccc1 ZINC000799911113 654863237 /nfs/dbraw/zinc/86/32/37/654863237.db2.gz QAKFMHLQEWWFAW-UHFFFAOYSA-N 1 0 385.599 1.696 20 0 GDADRO CC[NH+](CC)CCN(C(=O)[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 ZINC000750895047 654863936 /nfs/dbraw/zinc/86/39/36/654863936.db2.gz OTTIQUDNIUNQJV-UONOGXRCSA-N 1 0 380.601 1.193 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)Nc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000727082249 654866104 /nfs/dbraw/zinc/86/61/04/654866104.db2.gz IUFZBJIPZJDAIE-UHFFFAOYSA-N 1 0 378.951 1.862 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000750997941 654867113 /nfs/dbraw/zinc/86/71/13/654867113.db2.gz GOYFPYWNDPYMBC-ZDUSSCGKSA-N 1 0 389.543 1.965 20 0 GDADRO O=S(=O)(c1cc2ccc(Cl)nc2cc1F)N1CCCN(CCO)CC1 ZINC000751148982 654874287 /nfs/dbraw/zinc/87/42/87/654874287.db2.gz GUNYKQZWNUUUFA-UHFFFAOYSA-N 1 0 387.864 1.716 20 0 GDADRO Cn1nc(Br)c2c1ncnc2NCCCC[NH+]1CCN(C)CC1 ZINC000728051239 654883161 /nfs/dbraw/zinc/88/31/61/654883161.db2.gz WYCJFFMAURGEPJ-UHFFFAOYSA-N 1 0 382.310 1.565 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000728060942 654883833 /nfs/dbraw/zinc/88/38/33/654883833.db2.gz XKQYOFPVDPJHBX-SNVBAGLBSA-N 1 0 395.312 1.254 20 0 GDADRO COCCC[N@H+](CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000800355189 654883838 /nfs/dbraw/zinc/88/38/38/654883838.db2.gz BOJVDDUZCROAAP-HNNXBMFYSA-N 1 0 376.519 1.379 20 0 GDADRO C[NH+](C)CCCNC(=S)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000800824006 654896487 /nfs/dbraw/zinc/89/64/87/654896487.db2.gz VLPWNSUEIVXFSW-UHFFFAOYSA-N 1 0 396.941 1.173 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000751501390 654896674 /nfs/dbraw/zinc/89/66/74/654896674.db2.gz HYYLLRJOKDCGKX-UHFFFAOYSA-N 1 0 392.934 1.563 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000801083137 654908205 /nfs/dbraw/zinc/90/82/05/654908205.db2.gz CDKJPVDGMJPDJQ-CYBMUJFWSA-N 1 0 386.338 1.493 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000801094513 654908590 /nfs/dbraw/zinc/90/85/90/654908590.db2.gz YZCRHHUEUBDMDJ-ZDUSSCGKSA-N 1 0 384.322 1.343 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000801095619 654908884 /nfs/dbraw/zinc/90/88/84/654908884.db2.gz PESUPIOCDBSEGR-GFCCVEGCSA-N 1 0 385.306 1.722 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000801098944 654909068 /nfs/dbraw/zinc/90/90/68/654909068.db2.gz QKGPZLRTGGYTNC-JSGCOSHPSA-N 1 0 398.349 1.589 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000729681071 654913993 /nfs/dbraw/zinc/91/39/93/654913993.db2.gz RUPBCMQIQZZWNZ-UHFFFAOYSA-N 1 0 383.486 1.402 20 0 GDADRO C[C@@]1(C2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)NC(=O)NC1=O ZINC000752002695 654916390 /nfs/dbraw/zinc/91/63/90/654916390.db2.gz OTAIZAQMYCDTAI-PBHICJAKSA-N 1 0 396.285 1.793 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc(I)n1 ZINC000830017924 654925452 /nfs/dbraw/zinc/92/54/52/654925452.db2.gz ZZWLMLLAQJBEGR-CBAPKCEASA-N 1 0 377.251 1.960 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C ZINC000752487081 654929154 /nfs/dbraw/zinc/92/91/54/654929154.db2.gz GWUIHQTYAYFRSV-DYVFJYSZSA-N 1 0 375.535 1.158 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCc1ccc(Br)cc1F ZINC000752665330 654933011 /nfs/dbraw/zinc/93/30/11/654933011.db2.gz OXDXXLZTXKNULL-HNNXBMFYSA-N 1 0 376.270 1.743 20 0 GDADRO C[NH+]1CCC(NC(=S)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000752773405 654935442 /nfs/dbraw/zinc/93/54/42/654935442.db2.gz FJRDWUMQGORCQS-UHFFFAOYSA-N 1 0 396.991 1.238 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000801941165 654936280 /nfs/dbraw/zinc/93/62/80/654936280.db2.gz WHIFMNHMELALNM-HUUCEWRRSA-N 1 0 375.535 1.777 20 0 GDADRO CC[NH+]1CCC(n2nccc2NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000730811526 654937326 /nfs/dbraw/zinc/93/73/26/654937326.db2.gz KAJHKFQIEJBKTQ-CQSZACIVSA-N 1 0 386.543 1.399 20 0 GDADRO C[NH+]1CCN(Cc2cccc(C(=O)Nn3cc(Br)cn3)c2)CC1 ZINC000752909329 654939084 /nfs/dbraw/zinc/93/90/84/654939084.db2.gz MAEQMDYFKUOUDC-UHFFFAOYSA-N 1 0 378.274 1.777 20 0 GDADRO CCS(=O)(=O)NCCC[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000753147682 654943418 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1.575 20 0 GDADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754390919 654971429 /nfs/dbraw/zinc/97/14/29/654971429.db2.gz WPEYUSGPSIMFFZ-ZDUSSCGKSA-N 1 0 383.495 1.356 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)c1nccn2c(Br)cnc12 ZINC000754498684 654973930 /nfs/dbraw/zinc/97/39/30/654973930.db2.gz FIMNMYZPEDZOSC-UHFFFAOYSA-N 1 0 384.278 1.580 20 0 GDADRO NC(=O)C[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000754502424 654973934 /nfs/dbraw/zinc/97/39/34/654973934.db2.gz QNCXIPNGCPCGOW-UKRRQHHQSA-N 1 0 391.295 1.993 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000754637822 654976008 /nfs/dbraw/zinc/97/60/08/654976008.db2.gz BVWNGGQBJDMWKB-GJZGRUSLSA-N 1 0 375.535 1.505 20 0 GDADRO CC[S@](=O)CC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000803471546 654977834 /nfs/dbraw/zinc/97/78/34/654977834.db2.gz DYJDLOWOGGYFEK-VWLOTQADSA-N 1 0 384.523 1.486 20 0 GDADRO COCCS(=O)(=O)CCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000755156325 654987207 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GDADRO CC[NH+](CC)CCOCCNC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000832137610 655013404 /nfs/dbraw/zinc/01/34/04/655013404.db2.gz RSXBLKAWEPGJBE-UHFFFAOYSA-N 1 0 377.894 1.227 20 0 GDADRO Cc1nc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(Br)n1C ZINC000805055932 655018151 /nfs/dbraw/zinc/01/81/51/655018151.db2.gz HQXAYWHORVNSFZ-SNVBAGLBSA-N 1 0 393.351 1.842 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000789570152 655026019 /nfs/dbraw/zinc/02/60/19/655026019.db2.gz DZZMOTVNRFLIOX-LLVKDONJSA-N 1 0 385.262 1.248 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000832405194 655029966 /nfs/dbraw/zinc/02/99/66/655029966.db2.gz BUYSOCIOPGFOOY-AGUYFDCRSA-N 1 0 385.917 1.945 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000832405890 655029984 /nfs/dbraw/zinc/02/99/84/655029984.db2.gz ODUXTSYYWMZXMC-JTQLQIEISA-N 1 0 393.303 1.854 20 0 GDADRO CC[C@H]1C[N@H+](CCCS(=O)(=O)N(C)C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757112637 655034692 /nfs/dbraw/zinc/03/46/92/655034692.db2.gz VVXSRHLUDLRYQU-GJZGRUSLSA-N 1 0 377.551 1.893 20 0 GDADRO C[NH+]1CCN(c2cccc(C(=O)Nc3nc(Br)ccc3O)n2)CC1 ZINC000790047154 655039770 /nfs/dbraw/zinc/03/97/70/655039770.db2.gz YEYRZYSLCHYKGE-UHFFFAOYSA-N 1 0 392.257 1.949 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000757541205 655040874 /nfs/dbraw/zinc/04/08/74/655040874.db2.gz FRUXZUHOIKIKAY-WBMJQRKESA-N 1 0 382.555 1.706 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000805741973 655044689 /nfs/dbraw/zinc/04/46/89/655044689.db2.gz YBXAVUFHWJCGBF-OAGGEKHMSA-N 1 0 385.599 1.720 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccnc1I ZINC000757930342 655046285 /nfs/dbraw/zinc/04/62/85/655046285.db2.gz NRWTZSXLJYFPGV-GHMZBOCLSA-N 1 0 387.221 1.279 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2scnc2Br)CC1 ZINC000758062373 655050780 /nfs/dbraw/zinc/05/07/80/655050780.db2.gz JQEBIQHYMBGTEL-UHFFFAOYSA-N 1 0 387.303 1.286 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000758200734 655053675 /nfs/dbraw/zinc/05/36/75/655053675.db2.gz ITLCNDLAAPLDBY-XHDPSFHLSA-N 1 0 385.917 1.803 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000758203604 655054070 /nfs/dbraw/zinc/05/40/70/655054070.db2.gz ULSYLMVTGQOPKB-IINYFYTJSA-N 1 0 391.273 1.637 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000790935425 655061986 /nfs/dbraw/zinc/06/19/86/655061986.db2.gz IBTOGKAURRVHSV-UHFFFAOYSA-N 1 0 375.535 1.649 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CCO1 ZINC000834322494 655062626 /nfs/dbraw/zinc/06/26/26/655062626.db2.gz RHSHEQWVXBCRCY-GXFFZTMASA-N 1 0 381.889 1.462 20 0 GDADRO C[NH2+]CCN(C)C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C/c1ccccc1 ZINC000834412241 655066264 /nfs/dbraw/zinc/06/62/64/655066264.db2.gz UJJLAPQKIMNUNF-HFQYIWAZSA-N 1 0 385.555 1.376 20 0 GDADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834640520 655075078 /nfs/dbraw/zinc/07/50/78/655075078.db2.gz NPHQGHVBTGUMMX-CABCVRRESA-N 1 0 375.535 1.790 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000807043081 655077288 /nfs/dbraw/zinc/07/72/88/655077288.db2.gz DHDBHBAMBWHJKL-ZDUSSCGKSA-N 1 0 385.452 1.681 20 0 GDADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000759370617 655082791 /nfs/dbraw/zinc/08/27/91/655082791.db2.gz XPYATFYLMPTFGA-VIFPVBQESA-N 1 0 389.681 1.955 20 0 GDADRO C[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000759430791 655084860 /nfs/dbraw/zinc/08/48/60/655084860.db2.gz ISTPJIMRDXHBOU-CQSZACIVSA-N 1 0 375.535 1.599 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C[C@@H]1[NH+](C)C ZINC000759983878 655099185 /nfs/dbraw/zinc/09/91/85/655099185.db2.gz QITPQKXXYMINFA-LSDHHAIUSA-N 1 0 386.543 1.245 20 0 GDADRO CN(CCn1cc(Br)cn1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000808242652 655101866 /nfs/dbraw/zinc/10/18/66/655101866.db2.gz HCPFJICYSQXQPV-MRXNPFEDSA-N 1 0 398.305 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1.528 20 0 GDADRO C[C@H](C[NH3+])CNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842786523 655376734 /nfs/dbraw/zinc/37/67/34/655376734.db2.gz AODARJUOANDHGA-SSDOTTSWSA-N 1 0 381.683 1.623 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(Br)o1 ZINC000842789152 655377004 /nfs/dbraw/zinc/37/70/04/655377004.db2.gz PWGUKJAOAGMBLW-JGVFFNPUSA-N 1 0 381.248 1.187 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000842794759 655377704 /nfs/dbraw/zinc/37/77/04/655377704.db2.gz WOQBNQOYHIRLGY-DTWKUNHWSA-N 1 0 381.267 1.955 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000842798310 655377841 /nfs/dbraw/zinc/37/78/41/655377841.db2.gz PLZBBDVIFXOXJX-GWCFXTLKSA-N 1 0 379.404 1.935 20 0 GDADRO [NH3+]C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C1CCCC1 ZINC000842803344 655378257 /nfs/dbraw/zinc/37/82/57/655378257.db2.gz BWOYRJXRGDVJGZ-LLVKDONJSA-N 1 0 382.454 1.479 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cnc1Cl ZINC000842853439 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GDADRO C[C@H]1CN([C@H](C[NH2+]CCS(C)(=O)=O)c2c(F)cccc2Cl)CCO1 ZINC000818957399 655382361 /nfs/dbraw/zinc/38/23/61/655382361.db2.gz RVEYVGROMNRSAI-SWLSCSKDSA-N 1 0 378.897 1.875 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1cc(F)ccc1F)NC[C@@H]1CCCCO1 ZINC000819054937 655384287 /nfs/dbraw/zinc/38/42/87/655384287.db2.gz QDNIRTATDWLBJV-XJKSGUPXSA-N 1 0 378.441 1.076 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cc(F)ccc1F)NC[C@@H]1CCCCO1 ZINC000819054934 655384303 /nfs/dbraw/zinc/38/43/03/655384303.db2.gz QDNIRTATDWLBJV-BBRMVZONSA-N 1 0 378.441 1.076 20 0 GDADRO O[C@@H](C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccccc1Br ZINC000819077864 655384715 /nfs/dbraw/zinc/38/47/15/655384715.db2.gz PMJNGOCRGGIVPX-QAPCUYQASA-N 1 0 398.345 1.479 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CC1CC1 ZINC000819174469 655387433 /nfs/dbraw/zinc/38/74/33/655387433.db2.gz UBOISWHMWYEXQD-CQSZACIVSA-N 1 0 392.315 1.603 20 0 GDADRO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000819199368 655388044 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GDADRO CN(C[C@@H](O)C[NH2+]CCn1cc(Br)cn1)C(=O)OC(C)(C)C ZINC000819308042 655389556 /nfs/dbraw/zinc/38/95/56/655389556.db2.gz MNKSVQFEQFRAKU-LBPRGKRZSA-N 1 0 377.283 1.463 20 0 GDADRO CC(C)S(=O)(=O)CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000819316578 655389910 /nfs/dbraw/zinc/38/99/10/655389910.db2.gz HYCQEINXLKDYDS-ZDUSSCGKSA-N 1 0 398.294 1.741 20 0 GDADRO NC(=O)c1cn(CCCC[NH2+]C[C@H](O)c2cccc(Br)c2)nn1 ZINC000819372540 655390692 /nfs/dbraw/zinc/39/06/92/655390692.db2.gz BOWPBSNOMNNTIL-AWEZNQCLSA-N 1 0 382.262 1.243 20 0 GDADRO CCS(=O)(=O)CCC[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819368922 655390743 /nfs/dbraw/zinc/39/07/43/655390743.db2.gz UKPJKEAAYQYLQE-KRWDZBQOSA-N 1 0 378.535 1.553 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+])NS(=O)(=O)c1cccnc1Cl ZINC000843346270 655393187 /nfs/dbraw/zinc/39/31/87/655393187.db2.gz MKIYIKYGZKSDPW-YNEHKIRRSA-N 1 0 388.921 1.378 20 0 GDADRO C[C@H]([NH3+])C1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000843348508 655393342 /nfs/dbraw/zinc/39/33/42/655393342.db2.gz HSFAXZSRHQHDQO-NSHDSACASA-N 1 0 375.441 1.681 20 0 GDADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000843372754 655393920 /nfs/dbraw/zinc/39/39/20/655393920.db2.gz FRHJDBHQZSJLBS-HNNXBMFYSA-N 1 0 388.921 1.071 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000843422435 655394584 /nfs/dbraw/zinc/39/45/84/655394584.db2.gz OBLSJVDDFSXHMD-CYBMUJFWSA-N 1 0 394.273 1.619 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)NCCNC(=O)c1cccc(Br)c1 ZINC000843417508 655394600 /nfs/dbraw/zinc/39/46/00/655394600.db2.gz GDLBOSCXBCTQQN-AWEZNQCLSA-N 1 0 384.274 1.064 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000843413257 655394652 /nfs/dbraw/zinc/39/46/52/655394652.db2.gz NCXMIGYVIFOCIU-CQSZACIVSA-N 1 0 394.273 1.796 20 0 GDADRO COc1cc(Br)c(CNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1OC ZINC000843424745 655394721 /nfs/dbraw/zinc/39/47/21/655394721.db2.gz HROXAXDDFGEPQG-GFCCVEGCSA-N 1 0 387.274 1.851 20 0 GDADRO CN(C)C(=O)Sc1ccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1 ZINC000843427429 655394828 /nfs/dbraw/zinc/39/48/28/655394828.db2.gz AJIUIORPCQTSHK-UHFFFAOYSA-N 1 0 385.511 1.566 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[NH2+]CC2)sc1Br ZINC000843470575 655395788 /nfs/dbraw/zinc/39/57/88/655395788.db2.gz QPVMMOWZOUPDQR-ZETCQYMHSA-N 1 0 382.305 1.030 20 0 GDADRO CC[C@@H]1CN(C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)CC[C@H]1[NH3+] ZINC000843471455 655395980 /nfs/dbraw/zinc/39/59/80/655395980.db2.gz UVYHEJHHVJTODI-JHJVBQTASA-N 1 0 388.921 1.378 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843498496 655397041 /nfs/dbraw/zinc/39/70/41/655397041.db2.gz PEQOOXNTUYDWQS-CYBMUJFWSA-N 1 0 382.511 1.401 20 0 GDADRO Cn1cc(S(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc1Cl ZINC000819903562 655398702 /nfs/dbraw/zinc/39/87/02/655398702.db2.gz ZALLOSJVTPWWDA-LSDHHAIUSA-N 1 0 380.901 1.969 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)/C=C\c3ccc(Br)o3)CC2)C1=O ZINC000843885176 655402613 /nfs/dbraw/zinc/40/26/13/655402613.db2.gz GVTSHXRYNLERIO-PKXJPQMGSA-N 1 0 396.285 1.867 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000844226383 655408724 /nfs/dbraw/zinc/40/87/24/655408724.db2.gz GJBTUJMIYMUYOK-UHFFFAOYSA-N 1 0 397.726 1.023 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000844227455 655408769 /nfs/dbraw/zinc/40/87/69/655408769.db2.gz ZDCLCRKNGLFTTG-AWNIVKPZSA-N 1 0 388.331 1.587 20 0 GDADRO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844397629 655409965 /nfs/dbraw/zinc/40/99/65/655409965.db2.gz NPNITHMWRYGEFK-CABCVRRESA-N 1 0 377.551 1.941 20 0 GDADRO C[C@@]1(C(N)=O)CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844705125 655413542 /nfs/dbraw/zinc/41/35/42/655413542.db2.gz QJSYGMHXTZJQJJ-QGZVFWFLSA-N 1 0 378.270 1.830 20 0 GDADRO COC(=O)[C@H]1[C@@H](C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)C1(F)F ZINC000820874234 655418546 /nfs/dbraw/zinc/41/85/46/655418546.db2.gz FWTUUSNCIBLPDD-ZYHUDNBSSA-N 1 0 382.454 1.287 20 0 GDADRO CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)CCC1 ZINC000820875608 655418579 /nfs/dbraw/zinc/41/85/79/655418579.db2.gz YSUDGYFZQSYDFW-CQSZACIVSA-N 1 0 375.535 1.695 20 0 GDADRO [NH3+]CC(F)(F)Cc1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000844920517 655421122 /nfs/dbraw/zinc/42/11/22/655421122.db2.gz RGXKGFKIASJPAJ-UHFFFAOYSA-N 1 0 375.173 1.899 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1nc(Br)c2ccccn21 ZINC000821051518 655421412 /nfs/dbraw/zinc/42/14/12/655421412.db2.gz CNCPLXGTNKSEAH-LBPRGKRZSA-N 1 0 381.274 1.673 20 0 GDADRO Brc1ncn(CC[NH2+][C@H](CN2CCOCC2)c2ccccc2)n1 ZINC000821402905 655429154 /nfs/dbraw/zinc/42/91/54/655429154.db2.gz XUKBCSVBAGUKKD-OAHLLOKOSA-N 1 0 380.290 1.704 20 0 GDADRO CCC[C@H]1CN(C(=O)c2cc(N)nc(Br)c2)CC[N@@H+]1CCOC ZINC000821453138 655430198 /nfs/dbraw/zinc/43/01/98/655430198.db2.gz KULMOPPGFBCNPU-ZDUSSCGKSA-N 1 0 385.306 1.999 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CSCCS1 ZINC000845738203 655434844 /nfs/dbraw/zinc/43/48/44/655434844.db2.gz QOWQZOPJTDTSFL-OLZOCXBDSA-N 1 0 377.576 1.796 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C[C@H](C)[S@@]1=O ZINC000846001644 655443014 /nfs/dbraw/zinc/44/30/14/655443014.db2.gz JRYQGYOBBKDFSS-QBSBMQLGSA-N 1 0 375.535 1.199 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846112177 655447720 /nfs/dbraw/zinc/44/77/20/655447720.db2.gz YCNSSGROBWWLJM-CJNGLKHVSA-N 1 0 391.921 1.226 20 0 GDADRO CC[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000846191093 655449558 /nfs/dbraw/zinc/44/95/58/655449558.db2.gz WDGYODVNTGEPLC-KFWWJZLASA-N 1 0 375.535 1.788 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3ccc(Br)o3)C2)C1 ZINC000846230575 655450207 /nfs/dbraw/zinc/45/02/07/655450207.db2.gz LQDDRAREWSERGE-QJPTWQEYSA-N 1 0 393.303 1.949 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1=O ZINC000846357334 655452673 /nfs/dbraw/zinc/45/26/73/655452673.db2.gz PSBZNNPFNUHKBM-OAHLLOKOSA-N 1 0 388.295 1.649 20 0 GDADRO CO[C@H](C[NH3+])Cc1nc(Cc2cccc(F)c2I)no1 ZINC000822980931 655454638 /nfs/dbraw/zinc/45/46/38/655454638.db2.gz RDAXTYWCHZIJSS-VIFPVBQESA-N 1 0 391.184 1.920 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1sc(N(C)C)nc1Cl ZINC000822984515 655454662 /nfs/dbraw/zinc/45/46/62/655454662.db2.gz IBIMMYVFHUOXNJ-LLVKDONJSA-N 1 0 387.937 1.535 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000846698216 655458918 /nfs/dbraw/zinc/45/89/18/655458918.db2.gz CKBYOYPUYXIDOP-VHSXEESVSA-N 1 0 386.417 1.480 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846737468 655460045 /nfs/dbraw/zinc/46/00/45/655460045.db2.gz ODHQPUSAKXUHSE-SJORKVTESA-N 1 0 377.888 1.424 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000846744348 655460279 /nfs/dbraw/zinc/46/02/79/655460279.db2.gz YVFPXBQYEOUYMZ-NEPJUHHUSA-N 1 0 389.905 1.217 20 0 GDADRO O=C1C[C@H](c2nc(N3CC[NH2+]CC3)no2)CN1c1cccc(Br)c1 ZINC000823320733 655460326 /nfs/dbraw/zinc/46/03/26/655460326.db2.gz IJRYHDYUOMMKJW-NSHDSACASA-N 1 0 392.257 1.762 20 0 GDADRO O=C(NCCc1nc(N2CC[NH2+]CC2)no1)c1ccc(Br)cc1 ZINC000823330410 655460800 /nfs/dbraw/zinc/46/08/00/655460800.db2.gz OOAOGMBLZANZSX-UHFFFAOYSA-N 1 0 380.246 1.214 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2nc(Cl)sc2Cl)CC1 ZINC000847437450 655469504 /nfs/dbraw/zinc/46/95/04/655469504.db2.gz NWBMTQPMOVAWOD-UHFFFAOYSA-N 1 0 377.297 1.830 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847586232 655472556 /nfs/dbraw/zinc/47/25/56/655472556.db2.gz ALMRMKGXFINCOP-ZDUSSCGKSA-N 1 0 399.264 1.362 20 0 GDADRO Cn1cc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)[nH]c1=O ZINC000824234509 655472830 /nfs/dbraw/zinc/47/28/30/655472830.db2.gz LCLNDMXXYSTYGH-UHFFFAOYSA-N 1 0 394.273 1.892 20 0 GDADRO C[C@H]1C[C@@H](C[NH2+]C2CC(NS(C)(=O)=O)C2)CCN1C(=O)OC(C)(C)C ZINC000824344766 655474402 /nfs/dbraw/zinc/47/44/02/655474402.db2.gz TXRWSVKEQFDECG-HESLUPGFSA-N 1 0 375.535 1.692 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000824677958 655478936 /nfs/dbraw/zinc/47/89/36/655478936.db2.gz MBUYUASYRHCZEN-AVOUXACISA-N 1 0 375.535 1.834 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccccc1I ZINC000824677614 655478981 /nfs/dbraw/zinc/47/89/81/655478981.db2.gz GPILGLCREPFGRS-NSHDSACASA-N 1 0 382.267 1.709 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000824678716 655479120 /nfs/dbraw/zinc/47/91/20/655479120.db2.gz VAGJHXZQKXYDFE-SHARSMKWSA-N 1 0 377.551 1.987 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1nccn2c(Br)cnc12 ZINC000848025485 655480645 /nfs/dbraw/zinc/48/06/45/655480645.db2.gz VNMWGBWVZHZDHH-LLVKDONJSA-N 1 0 384.278 1.314 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1Cl ZINC000825240502 655486540 /nfs/dbraw/zinc/48/65/40/655486540.db2.gz MMYBWNWRCBXXSC-OCCSQVGLSA-N 1 0 385.917 1.851 20 0 GDADRO C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000848293163 655486800 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O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)OC(F)(F)O2 ZINC000827071867 655504944 /nfs/dbraw/zinc/50/49/44/655504944.db2.gz KPDGJAAQJZGZOO-WDEREUQCSA-N 1 0 376.381 1.150 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@@H](C)C2)c(C)c[nH+]1 ZINC000848965284 655512333 /nfs/dbraw/zinc/51/23/33/655512333.db2.gz IUDVRNBNNHKZBX-IUODEOHRSA-N 1 0 389.543 1.360 20 0 GDADRO COC[C@H](C)NC(=[NH2+])NC[C@H](CO)Cc1cc(Br)ccc1OC ZINC000849116223 655517455 /nfs/dbraw/zinc/51/74/55/655517455.db2.gz HWJCTOHRFKZNJD-NWDGAFQWSA-N 1 0 388.306 1.758 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CC[NH+](CCCCCO)CC2)cc1=O ZINC000828204980 655519935 /nfs/dbraw/zinc/51/99/35/655519935.db2.gz PMFMIPRAHDUZGP-UHFFFAOYSA-N 1 0 386.290 1.068 20 0 GDADRO CO[C@H](CS(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000849371216 655523008 /nfs/dbraw/zinc/52/30/08/655523008.db2.gz RXKGCBRUFSTJEJ-OKZBNKHCSA-N 1 0 376.563 1.714 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)cn1 ZINC000849569861 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1.263 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1c(Br)nc2n1CCC2 ZINC000854642089 655673116 /nfs/dbraw/zinc/67/31/16/655673116.db2.gz IOQOERDAPAIRCS-RYUDHWBXSA-N 1 0 383.290 1.527 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3cc(Br)ncc3Cl)C2)CC1 ZINC000854644116 655673400 /nfs/dbraw/zinc/67/34/00/655673400.db2.gz FKVMZMVDMKGINH-UHFFFAOYSA-N 1 0 387.709 1.817 20 0 GDADRO C[NH+](C)CCn1nccc1NC(=O)c1csc(I)n1 ZINC000854665252 655673753 /nfs/dbraw/zinc/67/37/53/655673753.db2.gz QAPVRVXWPRMZSG-UHFFFAOYSA-N 1 0 391.238 1.758 20 0 GDADRO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1(Br)Br ZINC000854743392 655675735 /nfs/dbraw/zinc/67/57/35/655675735.db2.gz KMSKNHRCDGLZRR-ZYHUDNBSSA-N 1 0 398.139 1.846 20 0 GDADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(Br)n[nH]1 ZINC000854940262 655681807 /nfs/dbraw/zinc/68/18/07/655681807.db2.gz MRLHABIYRPQTSB-UHFFFAOYSA-N 1 0 393.285 1.929 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000855160858 655686035 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GDADRO CC[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)C[C@H](C)[NH2+]1 ZINC000856409116 655712856 /nfs/dbraw/zinc/71/28/56/655712856.db2.gz DQPBYAYYLWMMAD-JGVFFNPUSA-N 1 0 396.332 1.371 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000856745488 655716440 /nfs/dbraw/zinc/71/64/40/655716440.db2.gz GHVCUMRJZGCJKU-GJZGRUSLSA-N 1 0 375.535 1.505 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856817250 655719620 /nfs/dbraw/zinc/71/96/20/655719620.db2.gz WAXOFBOXEDGSBF-RHSMWYFYSA-N 1 0 375.535 1.695 20 0 GDADRO O=C(NCC[N@@H+]1CCCOCC1)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856909482 655721998 /nfs/dbraw/zinc/72/19/98/655721998.db2.gz GNRIGSVQHVWBKU-UHFFFAOYSA-N 1 0 398.301 1.384 20 0 GDADRO O=C(c1ccc(Br)cc1-n1cnnn1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000857004624 655725308 /nfs/dbraw/zinc/72/53/08/655725308.db2.gz RXCJZMDPEMTVQM-MRXNPFEDSA-N 1 0 391.273 1.641 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857140694 655728880 /nfs/dbraw/zinc/72/88/80/655728880.db2.gz BXCSPGBDAGZMSW-GFCCVEGCSA-N 1 0 385.306 1.980 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c(Cl)s1 ZINC000857235341 655731560 /nfs/dbraw/zinc/73/15/60/655731560.db2.gz QSBAQQNHXVPYOP-PELKAZGASA-N 1 0 384.932 1.307 20 0 GDADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000857257880 655732523 /nfs/dbraw/zinc/73/25/23/655732523.db2.gz FENWICIWTXBNBI-RYUDHWBXSA-N 1 0 383.290 1.875 20 0 GDADRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000858111690 655744643 /nfs/dbraw/zinc/74/46/43/655744643.db2.gz OXOFCDGIGIKHQF-AWEZNQCLSA-N 1 0 384.274 1.859 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)c(Br)o1 ZINC000858614610 655750480 /nfs/dbraw/zinc/75/04/80/655750480.db2.gz AQHRJUMBHMASER-SECBINFHSA-N 1 0 395.275 1.447 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000858616961 655750646 /nfs/dbraw/zinc/75/06/46/655750646.db2.gz WONHBIMHNXZAAI-CABCVRRESA-N 1 0 385.873 1.286 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc1)C(F)(F)F ZINC000858620341 655750736 /nfs/dbraw/zinc/75/07/36/655750736.db2.gz WGBYIRHZIKBKOH-LBPRGKRZSA-N 1 0 377.388 1.750 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc(Br)cc(C=O)c2)C1 ZINC000859098758 655763302 /nfs/dbraw/zinc/76/33/02/655763302.db2.gz BPZHVBCXYJYACX-ZDUSSCGKSA-N 1 0 396.285 1.579 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000859286448 655773544 /nfs/dbraw/zinc/77/35/44/655773544.db2.gz DGYFWPNYTLRGKU-NSHDSACASA-N 1 0 379.258 1.981 20 0 GDADRO CC(C)[C@H](CNC(=O)c1cc(Br)cnc1F)N1CC[NH+](C)CC1 ZINC000859354005 655778256 /nfs/dbraw/zinc/77/82/56/655778256.db2.gz POEODZWYXHXLML-AWEZNQCLSA-N 1 0 387.297 1.985 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000859644886 655788366 /nfs/dbraw/zinc/78/83/66/655788366.db2.gz SVWCLYGVYINEJV-WCBMZHEXSA-N 1 0 381.376 1.861 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cnn2cc(Br)cnc12 ZINC000861035960 655812689 /nfs/dbraw/zinc/81/26/89/655812689.db2.gz NPVPAHVYVRQMET-LBPRGKRZSA-N 1 0 383.246 1.759 20 0 GDADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2c(I)cnn2C)C1 ZINC000861351444 655820024 /nfs/dbraw/zinc/82/00/24/655820024.db2.gz CSZRITFRWDKQMM-NOZJJQNGSA-N 1 0 393.225 1.291 20 0 GDADRO COc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c(I)c1 ZINC000861541738 655825397 /nfs/dbraw/zinc/82/53/97/655825397.db2.gz HFRDYFISDMETEX-MRVPVSSYSA-N 1 0 391.209 1.044 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000861615605 655826628 /nfs/dbraw/zinc/82/66/28/655826628.db2.gz RSSNTRWGOIHYIB-SNVBAGLBSA-N 1 0 383.392 1.348 20 0 GDADRO CCn1c(CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])nc2cc(Br)ccc21 ZINC000861772627 655830312 /nfs/dbraw/zinc/83/03/12/655830312.db2.gz YMUXQUDCVUCLKV-JTQLQIEISA-N 1 0 396.289 1.241 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc4ncc(I)n4c3)C[C@H]21 ZINC000861911088 655833481 /nfs/dbraw/zinc/83/34/81/655833481.db2.gz KAWXXNXKKVRPTQ-YABSGUDNSA-N 1 0 396.232 1.571 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cn(-c4ccccc4Br)nn3)C[C@H]21 ZINC000861909714 655833504 /nfs/dbraw/zinc/83/35/04/655833504.db2.gz MMNVDDJYTBHYCT-HBYGRHMLSA-N 1 0 376.258 1.662 20 0 GDADRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862290947 655843984 /nfs/dbraw/zinc/84/39/84/655843984.db2.gz IMENDSDPGOUWRH-HIFRSBDPSA-N 1 0 376.519 1.425 20 0 GDADRO Cc1c(Cl)c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)sc1S(N)(=O)=O ZINC000862792640 655855030 /nfs/dbraw/zinc/85/50/30/655855030.db2.gz BKFXXRVGOMEQOA-SNVBAGLBSA-N 1 0 379.935 1.819 20 0 GDADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000863321867 655865834 /nfs/dbraw/zinc/86/58/34/655865834.db2.gz GWXCGFRJUJAREA-CABCVRRESA-N 1 0 395.301 1.465 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ncc(Br)s2)CC1 ZINC000863546753 655875417 /nfs/dbraw/zinc/87/54/17/655875417.db2.gz FTTGAWXCQXTYAL-MNOVXSKESA-N 1 0 387.303 1.663 20 0 GDADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000863570768 655875997 /nfs/dbraw/zinc/87/59/97/655875997.db2.gz KFVJMXQSAPZMDB-GJZGRUSLSA-N 1 0 388.281 1.551 20 0 GDADRO Cn1cc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c(I)n1 ZINC000864053139 655888227 /nfs/dbraw/zinc/88/82/27/655888227.db2.gz SYGCFUNYLAKCAS-AWEZNQCLSA-N 1 0 393.269 1.682 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000864076090 655889493 /nfs/dbraw/zinc/88/94/93/655889493.db2.gz HBAKHGJZJBCFOX-NSHDSACASA-N 1 0 398.139 1.798 20 0 GDADRO NS(=O)(=O)c1cc(Br)ccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000865415174 655919478 /nfs/dbraw/zinc/91/94/78/655919478.db2.gz HIKIRZLCBJDYEH-UHFFFAOYSA-N 1 0 397.298 1.818 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2cccnc2Br)CC1 ZINC000865455658 655920160 /nfs/dbraw/zinc/92/01/60/655920160.db2.gz MAUKSMIJWQUYMR-UHFFFAOYSA-N 1 0 376.320 1.443 20 0 GDADRO C[NH+](C)C1(CNc2ccc(Br)cc2S(N)(=O)=O)CCOCC1 ZINC000865539830 655921470 /nfs/dbraw/zinc/92/14/70/655921470.db2.gz YAZKSIGGNZVENZ-UHFFFAOYSA-N 1 0 392.319 1.619 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(c2ccc(Br)cc2S(N)(=O)=O)C1 ZINC000865570568 655922153 /nfs/dbraw/zinc/92/21/53/655922153.db2.gz KOUXDZYNSCIUTL-LLVKDONJSA-N 1 0 376.320 1.875 20 0 GDADRO CCn1cnc2c1nc(Cl)nc2Sc1nnnn1C[C@@H]1CC[N@H+](C)C1 ZINC000865621031 655923136 /nfs/dbraw/zinc/92/31/36/655923136.db2.gz VWEWRRBNIPGUNH-SECBINFHSA-N 1 0 379.881 1.589 20 0 GDADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000865817611 655927740 /nfs/dbraw/zinc/92/77/40/655927740.db2.gz KXLJRANDFMRDDR-UHFFFAOYSA-N 1 0 394.317 1.854 20 0 GDADRO CC(C)(C[NH2+]Cc1cc2c(cc1Br)OCO2)CS(N)(=O)=O ZINC000865815236 655927757 /nfs/dbraw/zinc/92/77/57/655927757.db2.gz SRHNWUXCNYCRMV-UHFFFAOYSA-N 1 0 379.276 1.582 20 0 GDADRO CSC1(CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CCOCC1 ZINC000866093342 655934407 /nfs/dbraw/zinc/93/44/07/655934407.db2.gz JAQMRAWAZFTCKQ-ZDUSSCGKSA-N 1 0 375.535 1.470 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(I)nn2C)C1 ZINC000866193723 655935713 /nfs/dbraw/zinc/93/57/13/655935713.db2.gz PHRWDAXHPWTRLW-SNVBAGLBSA-N 1 0 376.242 1.439 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(c3cccc(OC(F)(F)F)c3S(N)(=O)=O)CC[C@@H]21 ZINC000866207240 655936056 /nfs/dbraw/zinc/93/60/56/655936056.db2.gz BDXNRLZWNXKEMP-QWRGUYRKSA-N 1 0 379.404 1.763 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(c3cccc(OC(F)(F)F)c3S(N)(=O)=O)CC[C@H]21 ZINC000866207241 655936131 /nfs/dbraw/zinc/93/61/31/655936131.db2.gz BDXNRLZWNXKEMP-WDEREUQCSA-N 1 0 379.404 1.763 20 0 GDADRO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(Br)cs1 ZINC000866554386 655949163 /nfs/dbraw/zinc/94/91/63/655949163.db2.gz QKXNMXLWVJGAMQ-IINYFYTJSA-N 1 0 375.288 1.789 20 0 GDADRO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(Br)cc1F ZINC000866554891 655949326 /nfs/dbraw/zinc/94/93/26/655949326.db2.gz VFDXHCNERMYEOC-ZBEGNZNMSA-N 1 0 387.249 1.867 20 0 GDADRO COC(=O)C1CCC([NH2+]Cc2c(I)cnn2C)CC1 ZINC000866630945 655952021 /nfs/dbraw/zinc/95/20/21/655952021.db2.gz ABDXPZPPUHVEHD-UHFFFAOYSA-N 1 0 377.226 1.846 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cn(C)nc1Br)[NH+]1CCC(C)CC1 ZINC000866644323 655952224 /nfs/dbraw/zinc/95/22/24/655952224.db2.gz UAQCIQXIXQZKJV-NSHDSACASA-N 1 0 379.324 1.581 20 0 GDADRO O=S(=O)(N=S1(=O)CCCC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000866643949 655952235 /nfs/dbraw/zinc/95/22/35/655952235.db2.gz MLSWDNMVJSIAOI-QGZVFWFLSA-N 1 0 385.555 1.995 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)NCc1ccccc1OCC[NH+](C)C ZINC000866671903 655952959 /nfs/dbraw/zinc/95/29/59/655952959.db2.gz CCUHYQCTJULVGC-UHFFFAOYSA-N 1 0 377.532 1.469 20 0 GDADRO C[C@@]1(CS(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1(Cl)Cl ZINC000866711762 655956031 /nfs/dbraw/zinc/95/60/31/655956031.db2.gz NEEUUKSCNTWKLX-YPMHNXCESA-N 1 0 386.345 1.077 20 0 GDADRO Cc1nc(C(F)(F)F)c(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000866714078 655956316 /nfs/dbraw/zinc/95/63/16/655956316.db2.gz FTDOLJFSXNVIQY-AXFHLTTASA-N 1 0 376.404 1.837 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)N(C)CCN2CC[NH2+]CC2)c1 ZINC000866739568 655957808 /nfs/dbraw/zinc/95/78/08/655957808.db2.gz DOKWRNZUYJCOFW-UHFFFAOYSA-N 1 0 390.347 1.424 20 0 GDADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1cnn(C)c1Br ZINC000866750973 655958913 /nfs/dbraw/zinc/95/89/13/655958913.db2.gz SGMDXZABPJYTEF-GHMZBOCLSA-N 1 0 379.324 1.724 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000866761473 655959919 /nfs/dbraw/zinc/95/99/19/655959919.db2.gz WHROTCGRSILAHP-ZWNOBZJWSA-N 1 0 377.304 1.875 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc(Cl)nc3F)CC2)C1 ZINC000866771894 655961621 /nfs/dbraw/zinc/96/16/21/655961621.db2.gz LGFCGLMCGKSFRB-VXGBXAGGSA-N 1 0 377.869 1.781 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000866776246 655962028 /nfs/dbraw/zinc/96/20/28/655962028.db2.gz FJMQDXURSJSTEW-HUUCEWRRSA-N 1 0 377.507 1.613 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000866776368 655962172 /nfs/dbraw/zinc/96/21/72/655962172.db2.gz XIWWZQDOTXMQRY-NSHDSACASA-N 1 0 377.308 1.573 20 0 GDADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866779275 655962649 /nfs/dbraw/zinc/96/26/49/655962649.db2.gz OHGQMIUPJVEVOA-VIFPVBQESA-N 1 0 393.309 1.698 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)c(Cl)s1 ZINC000866783123 655963114 /nfs/dbraw/zinc/96/31/14/655963114.db2.gz DCRJDOFMUZHPOT-VIFPVBQESA-N 1 0 386.948 1.697 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH3+])C[C@H]2C)ccc1Br ZINC000866791579 655963994 /nfs/dbraw/zinc/96/39/94/655963994.db2.gz FOAMVMKGNKMZLW-BDAKNGLRSA-N 1 0 377.260 1.346 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000866807975 655965924 /nfs/dbraw/zinc/96/59/24/655965924.db2.gz VNFYASLKJZIWIL-JLIMDTESSA-N 1 0 377.260 1.251 20 0 GDADRO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCC(F)(F)F)nc1 ZINC000866810388 655966065 /nfs/dbraw/zinc/96/60/65/655966065.db2.gz VZNFKAGXSKGCEQ-ZSBIGDGJSA-N 1 0 379.404 1.832 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000866815627 655966498 /nfs/dbraw/zinc/96/64/98/655966498.db2.gz RLJUKAVTGAIJBD-KRWDZBQOSA-N 1 0 387.571 1.812 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000866816648 655966615 /nfs/dbraw/zinc/96/66/15/655966615.db2.gz FSTBGNWRBJRNIL-FZQKWOKYSA-N 1 0 389.836 1.035 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866824323 655967299 /nfs/dbraw/zinc/96/72/99/655967299.db2.gz LWVSRYIVOMAWRM-WDEREUQCSA-N 1 0 398.428 1.495 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)cnc1Cl ZINC000866842274 655969240 /nfs/dbraw/zinc/96/92/40/655969240.db2.gz AZBKQXFQDXXXTM-GFCCVEGCSA-N 1 0 382.313 1.904 20 0 GDADRO C[S@](=O)(=NS(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000866842502 655969418 /nfs/dbraw/zinc/96/94/18/655969418.db2.gz CVESMPLEDOTYHZ-OYLFLEFRSA-N 1 0 389.543 1.215 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000866866085 655971893 /nfs/dbraw/zinc/97/18/93/655971893.db2.gz KUTAPMKPXBOGCS-UKRRQHHQSA-N 1 0 375.535 1.455 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cnn(C)c2Br)CC1 ZINC000866875992 655972656 /nfs/dbraw/zinc/97/26/56/655972656.db2.gz BCDOVEDWOVEZLM-UHFFFAOYSA-N 1 0 379.324 1.583 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1C(F)(F)F ZINC000866881061 655973152 /nfs/dbraw/zinc/97/31/52/655973152.db2.gz ZQMKKODVJULFFR-LBPRGKRZSA-N 1 0 380.436 1.935 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000866893966 655974646 /nfs/dbraw/zinc/97/46/46/655974646.db2.gz WURVNBAAHDZBJW-AWEZNQCLSA-N 1 0 375.535 1.457 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(Br)ncc1Br ZINC000866921305 655977468 /nfs/dbraw/zinc/97/74/68/655977468.db2.gz PVIPZGCQQAQCBC-LBPRGKRZSA-N 1 0 395.095 1.649 20 0 GDADRO CC(=O)N[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)c1cccc(Br)c1 ZINC000866921497 655977469 /nfs/dbraw/zinc/97/74/69/655977469.db2.gz WUQDUQZALVYVSP-GOEBONIOSA-N 1 0 386.290 1.055 20 0 GDADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cn(C)nc1Br ZINC000866940739 655979510 /nfs/dbraw/zinc/97/95/10/655979510.db2.gz 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C[NH+]1CCN(C2CCN(S(=O)(=O)CCc3ccccc3Cl)CC2)CC1 ZINC000867816684 656121117 /nfs/dbraw/zinc/12/11/17/656121117.db2.gz GULKRAYLKFZETL-UHFFFAOYSA-N 1 0 385.961 1.924 20 0 GDADRO CN(C)C(=O)Cn1ccc(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867956674 656135474 /nfs/dbraw/zinc/13/54/74/656135474.db2.gz WHMVHGWTHFJNQM-CQSZACIVSA-N 1 0 380.246 1.372 20 0 GDADRO CC(C)[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)N1CCOCC1 ZINC000867964103 656135970 /nfs/dbraw/zinc/13/59/70/656135970.db2.gz ZUFVOYPNWUYXPS-HOTGVXAUSA-N 1 0 384.318 1.922 20 0 GDADRO CC(=O)N[C@@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000867983217 656137073 /nfs/dbraw/zinc/13/70/73/656137073.db2.gz MUCFATOBHORKHU-WDEREUQCSA-N 1 0 382.180 1.632 20 0 GDADRO O=C(Nc1nc2ccsc2s1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868126103 656141472 /nfs/dbraw/zinc/14/14/72/656141472.db2.gz PGCCFLTZOMPMOO-IEBDPFPHSA-N 1 0 379.467 1.757 20 0 GDADRO CC(C)Oc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1Br ZINC000868252377 656146704 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GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1c(I)cnn1C ZINC000868361913 656151800 /nfs/dbraw/zinc/15/18/00/656151800.db2.gz KLBYYZNVVIRKPB-SNVBAGLBSA-N 1 0 393.273 1.554 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1cccc(Br)c1 ZINC000868390462 656153749 /nfs/dbraw/zinc/15/37/49/656153749.db2.gz JYZSHSHLZZGPGM-AWEZNQCLSA-N 1 0 398.301 1.593 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868422152 656155137 /nfs/dbraw/zinc/15/51/37/656155137.db2.gz QSBXHJXXSGMMQN-NEPJUHHUSA-N 1 0 386.315 1.822 20 0 GDADRO CC(C)n1ncc(C(=O)NC[C@H](C)C[NH+](C)C)c1I ZINC000868513019 656158847 /nfs/dbraw/zinc/15/88/47/656158847.db2.gz IWCFJUNHRLCXNR-JTQLQIEISA-N 1 0 378.258 1.996 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(S(C)(=O)=O)c(Cl)c3)CC[C@@H]21 ZINC000868541193 656160203 /nfs/dbraw/zinc/16/02/03/656160203.db2.gz PSXBWYAKRJCKIA-HIFRSBDPSA-N 1 0 385.917 1.979 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)c1ccc(I)cc1O ZINC000868758488 656167988 /nfs/dbraw/zinc/16/79/88/656167988.db2.gz 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389.543 1.957 20 0 GDADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(N2CCCOCC2)CC1 ZINC000872495438 656341832 /nfs/dbraw/zinc/34/18/32/656341832.db2.gz OSKJCBOUQVKSKC-QHCPKHFHSA-N 1 0 381.564 1.314 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000872619959 656366734 /nfs/dbraw/zinc/36/67/34/656366734.db2.gz NXZCVNATCHHZFL-RHSMWYFYSA-N 1 0 375.535 1.790 20 0 GDADRO CCOC(=O)c1nn(CN2CCC([NH+]3CCN(C)CC3)CC2)c(=S)s1 ZINC000872731856 656375367 /nfs/dbraw/zinc/37/53/67/656375367.db2.gz NJRDMDSAIVBSBI-UHFFFAOYSA-N 1 0 385.559 1.520 20 0 GDADRO CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCc2ncc(Cl)s2)CC1 ZINC000872974779 656383166 /nfs/dbraw/zinc/38/31/66/656383166.db2.gz VCPLOUMEALSKBC-UHFFFAOYSA-N 1 0 386.905 1.126 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNCc1cccc(F)c1I ZINC000873051229 656384803 /nfs/dbraw/zinc/38/48/03/656384803.db2.gz FUPWONGFFIGXPA-LBPRGKRZSA-N 1 0 377.245 1.766 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCc3c2cccc3Cl)C[C@@H]1C(F)(F)F ZINC000873107446 656386761 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C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)c1cccc(Br)c1 ZINC000874849874 656490784 /nfs/dbraw/zinc/49/07/84/656490784.db2.gz LOGHEXCUIUOHMJ-HUUCEWRRSA-N 1 0 380.286 1.874 20 0 GDADRO Cn1ncc(I)c1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922594586 656493693 /nfs/dbraw/zinc/49/36/93/656493693.db2.gz KYQDYSLEQGHPEQ-UHFFFAOYSA-N 1 0 391.253 1.436 20 0 GDADRO CCOc1cc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)ccc1OC(F)F ZINC000922614157 656494850 /nfs/dbraw/zinc/49/48/50/656494850.db2.gz FGRWGIUISXQBGE-INIZCTEOSA-N 1 0 379.425 1.980 20 0 GDADRO CS(=O)(=O)CC1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000922657945 656500129 /nfs/dbraw/zinc/50/01/29/656500129.db2.gz YSQLANGYIRSJMG-CKUJCDMFSA-N 1 0 389.587 1.469 20 0 GDADRO CS(=O)(=O)Nc1cccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)c1 ZINC000922677433 656501901 /nfs/dbraw/zinc/50/19/01/656501901.db2.gz SCUBBGKXNKZPLX-UHFFFAOYSA-N 1 0 382.507 1.794 20 0 GDADRO Cn1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)c(I)n1 ZINC000922813137 656509242 /nfs/dbraw/zinc/50/92/42/656509242.db2.gz UVFUPQYPXOPXJS-GFCCVEGCSA-N 1 0 391.253 1.843 20 0 GDADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000922824956 656510211 /nfs/dbraw/zinc/51/02/11/656510211.db2.gz XHZVMKFOOUBMIB-CYBMUJFWSA-N 1 0 377.388 1.591 20 0 GDADRO CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@H]2CSCCS2)CC1 ZINC000875226337 656522675 /nfs/dbraw/zinc/52/26/75/656522675.db2.gz YUDGGOZMGPYIKT-HNNXBMFYSA-N 1 0 385.599 1.818 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccsc3Br)CC[C@H]21 ZINC000875236416 656523643 /nfs/dbraw/zinc/52/36/43/656523643.db2.gz SNEBDMSQXKYXLX-VXGBXAGGSA-N 1 0 386.315 1.679 20 0 GDADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000875343347 656531540 /nfs/dbraw/zinc/53/15/40/656531540.db2.gz HJJWWUMAJKPLGH-LIDHIPMTSA-N 1 0 385.599 1.861 20 0 GDADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000923294052 656542988 /nfs/dbraw/zinc/54/29/88/656542988.db2.gz DVEDEMZCPLTKSQ-WDEREUQCSA-N 1 0 377.919 1.375 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923308573 656543825 /nfs/dbraw/zinc/54/38/25/656543825.db2.gz FHKUSMSFKMSUSM-INIZCTEOSA-N 1 0 394.313 1.585 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000923353307 656546991 /nfs/dbraw/zinc/54/69/91/656546991.db2.gz WMRYXOUASBUNRT-TZMCWYRMSA-N 1 0 377.268 1.570 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000923407860 656550484 /nfs/dbraw/zinc/55/04/84/656550484.db2.gz WEBKRFNIHYQZEQ-ZDUSSCGKSA-N 1 0 390.347 1.515 20 0 GDADRO [NH3+][C@]1(CO)CCCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000923480778 656555017 /nfs/dbraw/zinc/55/50/17/656555017.db2.gz SBIHROHYAPFKLT-CQSZACIVSA-N 1 0 377.304 1.008 20 0 GDADRO O=C(CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccc(I)cc1 ZINC000923520171 656558421 /nfs/dbraw/zinc/55/84/21/656558421.db2.gz DFHWTENGEZWTFF-NWDGAFQWSA-N 1 0 385.249 1.771 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)OCc2c(Br)nnn2C)cn1 ZINC000875761281 656558926 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O=C1O[C@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC12CC[NH2+]CC2 ZINC000923682552 656584720 /nfs/dbraw/zinc/58/47/20/656584720.db2.gz HKOMJUFCVMTSES-JTQLQIEISA-N 1 0 376.837 1.443 20 0 GDADRO O=C1O[C@H](CNS(=O)(=O)c2ccc(Br)o2)CC12CC[NH2+]CC2 ZINC000923683231 656585063 /nfs/dbraw/zinc/58/50/63/656585063.db2.gz INOUGTBKPRLJFU-VIFPVBQESA-N 1 0 393.259 1.006 20 0 GDADRO O=C1O[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)CC12CC[NH2+]CC2 ZINC000923684052 656586034 /nfs/dbraw/zinc/58/60/34/656586034.db2.gz UEULXQTUMKUGDD-SNVBAGLBSA-N 1 0 393.292 1.957 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1Cl ZINC000923687772 656588307 /nfs/dbraw/zinc/58/83/07/656588307.db2.gz LGMSXOVGCRFGAM-LLVKDONJSA-N 1 0 375.878 1.262 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cnc1Cl ZINC000923688024 656588311 /nfs/dbraw/zinc/58/83/11/656588311.db2.gz PPBLPWVXSDRTCI-LLVKDONJSA-N 1 0 375.878 1.262 20 0 GDADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ncccc1Br)CC2 ZINC000923687753 656588319 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GDADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000876591555 656616121 /nfs/dbraw/zinc/61/61/21/656616121.db2.gz KPOJRVSCONDVIF-ZDUSSCGKSA-N 1 0 386.543 1.072 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876594153 656616169 /nfs/dbraw/zinc/61/61/69/656616169.db2.gz ZIPPKJPPNRVTGS-CHWSQXEVSA-N 1 0 379.404 1.245 20 0 GDADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000876595399 656616557 /nfs/dbraw/zinc/61/65/57/656616557.db2.gz GJDITXDWUGFSHU-GEXIGZQTSA-N 1 0 383.539 1.573 20 0 GDADRO COC[C@@]1(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C[NH2+]CCO1 ZINC000876616136 656617892 /nfs/dbraw/zinc/61/78/92/656617892.db2.gz SXFXKCGKJDTJIW-NVXWUHKLSA-N 1 0 399.285 1.354 20 0 GDADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1(F)F ZINC000876626663 656619096 /nfs/dbraw/zinc/61/90/96/656619096.db2.gz FMNHUPCRRDOJOY-DGCLKSJQSA-N 1 0 375.778 1.604 20 0 GDADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876631621 656619864 /nfs/dbraw/zinc/61/98/64/656619864.db2.gz LCMNEUHILHOGRD-WCQYABFASA-N 1 0 382.237 1.975 20 0 GDADRO CCOC(=O)N1CCC(C)(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000876641002 656621141 /nfs/dbraw/zinc/62/11/41/656621141.db2.gz IEAWJSUZUIRHKF-UHFFFAOYSA-N 1 0 375.535 1.601 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)s1 ZINC000876648829 656621624 /nfs/dbraw/zinc/62/16/24/656621624.db2.gz XDJWZFTUPSYSQF-SWLSCSKDSA-N 1 0 391.534 1.385 20 0 GDADRO COC[C@]1(C(=O)NCC2(c3ccccc3Br)CC2)C[NH2+]CCO1 ZINC000876677332 656623630 /nfs/dbraw/zinc/62/36/30/656623630.db2.gz MCRBRIJKPHMZHX-KRWDZBQOSA-N 1 0 383.286 1.602 20 0 GDADRO COC[C@@]1(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[NH2+]CCO1 ZINC000876717956 656626311 /nfs/dbraw/zinc/62/63/11/656626311.db2.gz JHBCMCPSUPBBPT-MRXNPFEDSA-N 1 0 389.283 1.042 20 0 GDADRO Cn1nc(I)cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000876837320 656634389 /nfs/dbraw/zinc/63/43/89/656634389.db2.gz ARVGGWAURUVRHU-NWDGAFQWSA-N 1 0 396.232 1.592 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)CC[C@@H]21 ZINC000876876610 656636729 /nfs/dbraw/zinc/63/67/29/656636729.db2.gz RYTOLQZOXAFXQY-KFWWJZLASA-N 1 0 375.535 1.693 20 0 GDADRO C[NH+](C)C[C@H](N)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000876891932 656637194 /nfs/dbraw/zinc/63/71/94/656637194.db2.gz HLMHUAHDPKISIO-NSHDSACASA-N 1 0 381.645 1.450 20 0 GDADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc(Br)cnc1F ZINC000876913910 656639862 /nfs/dbraw/zinc/63/98/62/656639862.db2.gz LQXUAQBEBXYGCN-UHFFFAOYSA-N 1 0 385.281 1.929 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000876935527 656641474 /nfs/dbraw/zinc/64/14/74/656641474.db2.gz AKFBSXIGQWXZIB-ZDUSSCGKSA-N 1 0 396.232 1.723 20 0 GDADRO C[C@]12CCN(C(=O)CN3CC[NH2+]CC3)C[C@H]1C2(Br)Br ZINC000876958392 656642396 /nfs/dbraw/zinc/64/23/96/656642396.db2.gz BLLGVKVRZRGDKD-PWSUYJOCSA-N 1 0 395.139 1.246 20 0 GDADRO O=S1(=O)CCC(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000876971263 656643433 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388.946 1.617 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)c1c(F)ccc(I)c1Cl ZINC000877038296 656648780 /nfs/dbraw/zinc/64/87/80/656648780.db2.gz LMTRWCUWZPYVTK-ZETCQYMHSA-N 1 0 398.603 1.802 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C[NH2+]1 ZINC000877048116 656649261 /nfs/dbraw/zinc/64/92/61/656649261.db2.gz HFFDNTVPLRYVIB-OCCSQVGLSA-N 1 0 385.917 1.995 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)c2cc(S(C)(=O)=O)ccc2Br)C[NH2+]1 ZINC000877052788 656650475 /nfs/dbraw/zinc/65/04/75/656650475.db2.gz WPELKNJGPCKBMX-ZJUUUORDSA-N 1 0 375.288 1.723 20 0 GDADRO C[C@@H](NC(=O)CCC(=O)N(C)C[C@H](C)[NH3+])C(=O)c1ccc(Br)cc1 ZINC000877100371 656653225 /nfs/dbraw/zinc/65/32/25/656653225.db2.gz TXPQSEJKMONOGK-NWDGAFQWSA-N 1 0 398.301 1.722 20 0 GDADRO [NH3+][C@@H](CCNC(=O)Cn1ccc(Br)cc1=O)Cc1ccccc1 ZINC000877160494 656656688 /nfs/dbraw/zinc/65/66/88/656656688.db2.gz YMQGCTONIQHSJY-HNNXBMFYSA-N 1 0 378.270 1.687 20 0 GDADRO CC1(C)CC[C@H](CNC(=O)CSCc2cc(=O)n3ccsc3n2)[NH2+]C1 ZINC000877157578 656656821 /nfs/dbraw/zinc/65/68/21/656656821.db2.gz SNVBNYRBNZUPQO-GFCCVEGCSA-N 1 0 380.539 1.884 20 0 GDADRO C[C@H]1CN(C(=O)NCc2cn(C)nc2Br)CC[N@@H+]1CC(C)(C)O ZINC000924559013 656659418 /nfs/dbraw/zinc/65/94/18/656659418.db2.gz FJTDHPZUQFPRCT-NSHDSACASA-N 1 0 388.310 1.169 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000877244512 656660848 /nfs/dbraw/zinc/66/08/48/656660848.db2.gz XYEFJPRCHWVYJR-AULYBMBSSA-N 1 0 375.288 1.217 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000877245339 656660982 /nfs/dbraw/zinc/66/09/82/656660982.db2.gz GEMLTUJSNXMSBA-UBSAEIQESA-N 1 0 385.917 1.851 20 0 GDADRO O=C(c1cccn2c(I)cnc12)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877281571 656663479 /nfs/dbraw/zinc/66/34/79/656663479.db2.gz IOJLFBADQWANBH-NEPJUHHUSA-N 1 0 396.232 1.905 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877284849 656663947 /nfs/dbraw/zinc/66/39/47/656663947.db2.gz PHKAJBAFMAFRCU-CABCVRRESA-N 1 0 391.269 1.512 20 0 GDADRO C[S@](=O)C1(C(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)CC[NH2+]CC1 ZINC000877294090 656664914 /nfs/dbraw/zinc/66/49/14/656664914.db2.gz AAAVVORICVQCHC-VWLOTQADSA-N 1 0 385.917 1.606 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCC(F)(F)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000877307825 656666216 /nfs/dbraw/zinc/66/62/16/656666216.db2.gz YNGUEPLCIBOXIG-UHFFFAOYSA-N 1 0 382.379 1.340 20 0 GDADRO C[C@@H](CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)n1cc(Br)cn1 ZINC000877328266 656667358 /nfs/dbraw/zinc/66/73/58/656667358.db2.gz HWAAGARGSUZYKC-GXTWGEPZSA-N 1 0 385.306 1.872 20 0 GDADRO Cc1cc(S(C)(=O)=O)cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1C ZINC000877359497 656669555 /nfs/dbraw/zinc/66/95/55/656669555.db2.gz TWTLYHYPZUVIIK-BXUZGUMPSA-N 1 0 378.416 1.916 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877365849 656670786 /nfs/dbraw/zinc/67/07/86/656670786.db2.gz GRRPOFFPDFVUIH-YNEHKIRRSA-N 1 0 385.452 1.176 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)CN2C(=S)N=NC2c2cccs2)C[C@H]1C(F)(F)F 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381.072 1.012 20 0 GDADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc(Br)cc1S(N)(=O)=O ZINC000928437146 656901365 /nfs/dbraw/zinc/90/13/65/656901365.db2.gz GYFRWZPEOHFGPM-BXKDBHETSA-N 1 0 390.303 1.227 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2ccc3ncc(I)n3c2)CC[N@@H+]1C ZINC000928438568 656901836 /nfs/dbraw/zinc/90/18/36/656901836.db2.gz KDROHPLYUBHDFP-GXSJLCMTSA-N 1 0 384.221 1.761 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC[N@@H+]1C ZINC000928450565 656903111 /nfs/dbraw/zinc/90/31/11/656903111.db2.gz CEEDBKJQBKUNSM-WBMJQRKESA-N 1 0 385.917 1.947 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)[C@@H](C)C1 ZINC000881116264 656918349 /nfs/dbraw/zinc/91/83/49/656918349.db2.gz CSDVUPDMJPWTSZ-WCQYABFASA-N 1 0 386.543 1.808 20 0 GDADRO C[C@](O)(Cn1cc(CN2CC[NH2+]CC2)nn1)c1ccc(Br)cc1F ZINC000881424916 656936129 /nfs/dbraw/zinc/93/61/29/656936129.db2.gz QZBWGKCADVMGKT-INIZCTEOSA-N 1 0 398.280 1.493 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000928969091 656944838 /nfs/dbraw/zinc/94/48/38/656944838.db2.gz XVVTUVBISBMKPN-NSHDSACASA-N 1 0 392.283 1.951 20 0 GDADRO CC1(C)CC(NC(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)CC(C)(C)[NH2+]1 ZINC000929105127 656948307 /nfs/dbraw/zinc/94/83/07/656948307.db2.gz DLDGGTUHPQSEFK-LLVKDONJSA-N 1 0 381.464 1.918 20 0 GDADRO C[C@@H](CNS(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)C[NH+]1CCCC1 ZINC000881798296 656961314 /nfs/dbraw/zinc/96/13/14/656961314.db2.gz RJOXGGBYTKVOSD-OWJWWREXSA-N 1 0 388.559 1.556 20 0 GDADRO CN(C)[S@](C)(=O)=NS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000881844573 656969647 /nfs/dbraw/zinc/96/96/47/656969647.db2.gz XUVHCMWMYQLQDA-HSZRJFAPSA-N 1 0 394.588 1.369 20 0 GDADRO CN(C)[S@@](C)(=O)=NS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000881844574 656969680 /nfs/dbraw/zinc/96/96/80/656969680.db2.gz XUVHCMWMYQLQDA-QHCPKHFHSA-N 1 0 394.588 1.369 20 0 GDADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC000929720487 656981073 /nfs/dbraw/zinc/98/10/73/656981073.db2.gz GROPNTUEZFBKGX-ZDUSSCGKSA-N 1 0 385.452 1.001 20 0 GDADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CSCC(=O)N2)CC1 ZINC000929762441 656983490 /nfs/dbraw/zinc/98/34/90/656983490.db2.gz MLOMCDNDERIMFC-AWEZNQCLSA-N 1 0 382.917 1.652 20 0 GDADRO C[C@H]1CCC[N@H+](CC2CN(S(C)(=O)=O)C2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000929778913 656984130 /nfs/dbraw/zinc/98/41/30/656984130.db2.gz KPKCHVQLHGORLB-DZGCQCFKSA-N 1 0 375.535 1.503 20 0 GDADRO COc1cc(CS(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)sn1 ZINC000881900616 656986261 /nfs/dbraw/zinc/98/62/61/656986261.db2.gz YNBJMOCSDSKWTO-CYBMUJFWSA-N 1 0 375.516 1.215 20 0 GDADRO CN(C)[S@@](=O)(=NS(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000881901165 656986664 /nfs/dbraw/zinc/98/66/64/656986664.db2.gz LIMXDMCGRIPQFK-OWJWWREXSA-N 1 0 388.559 1.509 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)nc2N)CC1 ZINC000929847297 656987678 /nfs/dbraw/zinc/98/76/78/656987678.db2.gz HDPVLKFVCFHTNH-ZDUSSCGKSA-N 1 0 382.306 1.165 20 0 GDADRO CC(C)[C@@H](CNS(=O)(=O)CC[C@H]1CC1(Cl)Cl)N1CC[NH+](C)CC1 ZINC000881935984 656997260 /nfs/dbraw/zinc/99/72/60/656997260.db2.gz JAURLQOHCDSCSG-UONOGXRCSA-N 1 0 386.389 1.762 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000930215046 657008430 /nfs/dbraw/zinc/00/84/30/657008430.db2.gz RCTSRKRIWICCDG-CQSZACIVSA-N 1 0 398.301 1.959 20 0 GDADRO CO[C@@]1(C)CCC[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000930288600 657012872 /nfs/dbraw/zinc/01/28/72/657012872.db2.gz IIFFYLURLGNBIZ-WBVHZDCISA-N 1 0 376.563 1.879 20 0 GDADRO C[C@](CO)([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000930450663 657026853 /nfs/dbraw/zinc/02/68/53/657026853.db2.gz IRUIVYBIBHMBPP-CQSZACIVSA-N 1 0 377.304 1.138 20 0 GDADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000930475244 657029100 /nfs/dbraw/zinc/02/91/00/657029100.db2.gz DQDSDMJEHVBCPH-NFAWXSAZSA-N 1 0 375.535 1.501 20 0 GDADRO C[C@](O)(C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1)C(F)(F)C(F)(F)F ZINC000930497138 657030058 /nfs/dbraw/zinc/03/00/58/657030058.db2.gz VPKPFWSSFJLDRR-PWSUYJOCSA-N 1 0 394.406 1.729 20 0 GDADRO CN1CC[C@@H]([NH2+]CC2CN(S(C)(=O)=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000930520529 657031423 /nfs/dbraw/zinc/03/14/23/657031423.db2.gz ZQZPCTBBOGSFNB-CVEARBPZSA-N 1 0 375.897 1.705 20 0 GDADRO CCOC(=O)Cc1nnc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)s1 ZINC000930516159 657031481 /nfs/dbraw/zinc/03/14/81/657031481.db2.gz UVCZJBIIFURPHO-QWRGUYRKSA-N 1 0 385.515 1.345 20 0 GDADRO CC(C)[C@H]1C[N@H+](C)CCN1C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000930574218 657035892 /nfs/dbraw/zinc/03/58/92/657035892.db2.gz DRYGUAKQUQWYJZ-HZPDHXFCSA-N 1 0 375.579 1.260 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(Cc2c(I)cnn2C)CC1 ZINC000930614364 657038432 /nfs/dbraw/zinc/03/84/32/657038432.db2.gz XFIHDQOFWUJBGV-UHFFFAOYSA-N 1 0 392.285 1.350 20 0 GDADRO C[C@@H]1OCCO[C@@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000930905311 657058827 /nfs/dbraw/zinc/05/88/27/657058827.db2.gz DLBWELGIGLWLCQ-LRDDRELGSA-N 1 0 398.301 1.943 20 0 GDADRO C[C@]1(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[C@@]1(F)Cl ZINC000930937714 657059908 /nfs/dbraw/zinc/05/99/08/657059908.db2.gz AYANLQVXPILNLO-JQFCIGGWSA-N 1 0 375.872 1.177 20 0 GDADRO CN1CC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000931079874 657069525 /nfs/dbraw/zinc/06/95/25/657069525.db2.gz DOOYLQAGNIYHRY-DOMZBBRYSA-N 1 0 387.311 1.533 20 0 GDADRO O[C@@H](C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1)C1(O)CCOCC1 ZINC000931332191 657091255 /nfs/dbraw/zinc/09/12/55/657091255.db2.gz MNCRPQYGBQZMEC-OWCLPIDISA-N 1 0 386.286 1.459 20 0 GDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc2nnc(Br)n2n1 ZINC000882274664 657091465 /nfs/dbraw/zinc/09/14/65/657091465.db2.gz WPAZXDFAPPVYSC-LLVKDONJSA-N 1 0 381.278 1.576 20 0 GDADRO CC(C)[C@H]1CN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000931551687 657107308 /nfs/dbraw/zinc/10/73/08/657107308.db2.gz YXMHHYQXEYWNDF-HZPDHXFCSA-N 1 0 375.579 1.260 20 0 GDADRO O=S(=O)(CC=C(Cl)Cl)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000882393349 657111840 /nfs/dbraw/zinc/11/18/40/657111840.db2.gz WOOOHUNUQBRSGI-AWEZNQCLSA-N 1 0 379.309 1.992 20 0 GDADRO CC[C@H]([NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@@H]1CCCOC1 ZINC000931701528 657122649 /nfs/dbraw/zinc/12/26/49/657122649.db2.gz VISFKUXLXZEBMH-OWCLPIDISA-N 1 0 376.563 1.783 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000882468174 657127148 /nfs/dbraw/zinc/12/71/48/657127148.db2.gz MGUAMXFUIGADPV-WDNXAPGXSA-N 1 0 388.559 1.163 20 0 GDADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)C)c1I ZINC000882498858 657135058 /nfs/dbraw/zinc/13/50/58/657135058.db2.gz YTUMCQDOIIGTHP-SNVBAGLBSA-N 1 0 376.242 1.893 20 0 GDADRO CCOC(=O)C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C(F)(F)F ZINC000931910643 657138846 /nfs/dbraw/zinc/13/88/46/657138846.db2.gz GWLCCXMEELLELS-UTUOFQBUSA-N 1 0 383.436 1.750 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(Br)cnn2c1 ZINC000932186188 657156670 /nfs/dbraw/zinc/15/66/70/657156670.db2.gz QCGCIAAQKWQNKM-LBPRGKRZSA-N 1 0 380.290 1.463 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@](C)(O)c1ccc(F)c(Br)c1 ZINC000932527245 657194551 /nfs/dbraw/zinc/19/45/51/657194551.db2.gz QGPTYXWQTSQVQL-WBMJQRKESA-N 1 0 388.281 1.158 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000932723323 657214429 /nfs/dbraw/zinc/21/44/29/657214429.db2.gz JDVYXKSHAGJICM-UHFFFAOYSA-N 1 0 399.289 1.080 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN1CCc2cc(Br)c(F)cc2C1 ZINC000932792803 657221670 /nfs/dbraw/zinc/22/16/70/657221670.db2.gz PBUUFCDGSXDVKH-CQSZACIVSA-N 1 0 375.282 1.885 20 0 GDADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cccnc2OCC(F)F)CC1 ZINC000882767830 657223408 /nfs/dbraw/zinc/22/34/08/657223408.db2.gz FAANGUZPVFIJKU-UHFFFAOYSA-N 1 0 375.441 1.974 20 0 GDADRO Cn1c2ccc(S(=O)(=O)N3CCC(C)([NH+]4CCC4)CC3)cc2sc1=O ZINC000882767377 657223800 /nfs/dbraw/zinc/22/38/00/657223800.db2.gz LSWSXTXYTPPQGH-UHFFFAOYSA-N 1 0 381.523 1.849 20 0 GDADRO CC1CCC([NH+]2CCN(C(=O)c3cc(S(N)(=O)=O)oc3Cl)CC2)CC1 ZINC000932941603 657232158 /nfs/dbraw/zinc/23/21/58/657232158.db2.gz UOMGCRWMIOXZSZ-UHFFFAOYSA-N 1 0 389.905 1.917 20 0 GDADRO Cn1c(C(=O)NCCC[NH+]2CCC(O)CC2)cc2cc(Br)cnc21 ZINC000933134556 657261618 /nfs/dbraw/zinc/26/16/18/657261618.db2.gz RQRGISJXTQCHBV-UHFFFAOYSA-N 1 0 395.301 1.912 20 0 GDADRO COC(=O)c1sc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc1Cl ZINC000882987870 657261902 /nfs/dbraw/zinc/26/19/02/657261902.db2.gz RSVOLDMRXRJAES-GFCCVEGCSA-N 1 0 388.921 1.792 20 0 GDADRO O=C(N1CC[NH+](CC2CCOCC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000933174431 657262569 /nfs/dbraw/zinc/26/25/69/657262569.db2.gz JNOLOCLDAMELKB-UHFFFAOYSA-N 1 0 397.317 1.706 20 0 GDADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000883027431 657264962 /nfs/dbraw/zinc/26/49/62/657264962.db2.gz BBGQNMQVNPERQY-GFCCVEGCSA-N 1 0 395.257 1.108 20 0 GDADRO CC[NH+]1CCN(CC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000883027837 657264989 /nfs/dbraw/zinc/26/49/89/657264989.db2.gz QMIGURLEFLJOQE-UHFFFAOYSA-N 1 0 397.273 1.356 20 0 GDADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1cc(Cl)cc2c1OCC2 ZINC000933275509 657267352 /nfs/dbraw/zinc/26/73/52/657267352.db2.gz PQDQQEQQDIEUEL-LLVKDONJSA-N 1 0 384.889 1.638 20 0 GDADRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000933290979 657267885 /nfs/dbraw/zinc/26/78/85/657267885.db2.gz RAVCJVIZBGWVBL-HNNXBMFYSA-N 1 0 393.285 1.851 20 0 GDADRO C[C@H](NC(=O)c1nc(Br)c2ccccn21)[C@H]1C[N@H+](C)CCN1C ZINC000933380802 657274588 /nfs/dbraw/zinc/27/45/88/657274588.db2.gz AADDROMCQQPEKU-WCQYABFASA-N 1 0 380.290 1.461 20 0 GDADRO COC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCCOC1 ZINC000883188250 657277071 /nfs/dbraw/zinc/27/70/71/657277071.db2.gz HICRCDXLEDMBFI-KBPBESRZSA-N 1 0 388.452 1.579 20 0 GDADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000933437580 657280415 /nfs/dbraw/zinc/28/04/15/657280415.db2.gz POWBERSCMAZHAB-KRWDZBQOSA-N 1 0 398.301 1.663 20 0 GDADRO CN1CC(=O)N(CC[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)C1=O ZINC000933437680 657280549 /nfs/dbraw/zinc/28/05/49/657280549.db2.gz BPYDFMUMPNFMIX-MRXNPFEDSA-N 1 0 384.274 1.226 20 0 GDADRO CNS(=O)(=O)CC[NH+]1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000933481563 657283276 /nfs/dbraw/zinc/28/32/76/657283276.db2.gz IJBOUDLWUNULCB-UHFFFAOYSA-N 1 0 377.551 1.799 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000933491110 657284000 /nfs/dbraw/zinc/28/40/00/657284000.db2.gz FYTVHQROAWUMJX-CYBMUJFWSA-N 1 0 398.301 1.959 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883373301 657284611 /nfs/dbraw/zinc/28/46/11/657284611.db2.gz JWUZGUNICQOOGG-QRTARXTBSA-N 1 0 388.555 1.943 20 0 GDADRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1)C(F)F ZINC000883468450 657288548 /nfs/dbraw/zinc/28/85/48/657288548.db2.gz SXWVONWCIUUAEZ-CYBMUJFWSA-N 1 0 379.404 1.323 20 0 GDADRO CCN(C)C(=O)c1cccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c1 ZINC000883470803 657289029 /nfs/dbraw/zinc/28/90/29/657289029.db2.gz IAMFASZOIBOGHQ-UHFFFAOYSA-N 1 0 381.420 1.680 20 0 GDADRO COCc1cc(C(=O)OC)cc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c1 ZINC000883471529 657289468 /nfs/dbraw/zinc/28/94/68/657289468.db2.gz PCZUNCQSMZBGKG-UHFFFAOYSA-N 1 0 384.376 1.131 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933698867 657298178 /nfs/dbraw/zinc/29/81/78/657298178.db2.gz FAXRSPAKVQOCLF-QPSCCSFWSA-N 1 0 385.555 1.657 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593831 657300791 /nfs/dbraw/zinc/30/07/91/657300791.db2.gz SDIOOLITEFKNCI-UHFFFAOYSA-N 1 0 381.230 1.821 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000883641362 657303127 /nfs/dbraw/zinc/30/31/27/657303127.db2.gz NBWDOMJQRYJNDW-IAQYHMDHSA-N 1 0 386.315 1.809 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cscc2Br)C[C@@H]1C[NH3+] ZINC000883640506 657303219 /nfs/dbraw/zinc/30/32/19/657303219.db2.gz RJHBPRZSTRMEDY-QWRGUYRKSA-N 1 0 388.331 1.912 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cnn(C)c1I ZINC000933731520 657303441 /nfs/dbraw/zinc/30/34/41/657303441.db2.gz BIYPXMRAKVTAFU-JTQLQIEISA-N 1 0 391.257 1.830 20 0 GDADRO C[C@@H](CNC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O)[NH+](C)C ZINC000883679656 657306039 /nfs/dbraw/zinc/30/60/39/657306039.db2.gz PIAZZAZWKANNMR-IINYFYTJSA-N 1 0 383.290 1.952 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(Cc3cc(=O)n4cc(Br)ccc4n3)C[C@]2(C)C1 ZINC000933738943 657312357 /nfs/dbraw/zinc/31/23/57/657312357.db2.gz PYCBCTMXKOIKNY-PXAZEXFGSA-N 1 0 377.286 1.841 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(Cc3nnnn3-c3ccccc3Br)C[C@]2(C)C1 ZINC000933742051 657315861 /nfs/dbraw/zinc/31/58/61/657315861.db2.gz MTTVXTKPOZKYAQ-WBMJQRKESA-N 1 0 377.290 1.808 20 0 GDADRO Cn1cc(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)cc(Br)c1=O ZINC000884172286 657332586 /nfs/dbraw/zinc/33/25/86/657332586.db2.gz QPEMGZLDFGXUQP-UHFFFAOYSA-N 1 0 392.257 1.205 20 0 GDADRO [NH3+][C@H](C(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000884179613 657332996 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GDADRO COCC[C@@H]([NH3+])C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000884378632 657351242 /nfs/dbraw/zinc/35/12/42/657351242.db2.gz YNKAROWHLOLMOV-CQSZACIVSA-N 1 0 386.290 1.266 20 0 GDADRO C[C@@H]1CCCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)[C@H]1CC[NH3+] ZINC000884385076 657351923 /nfs/dbraw/zinc/35/19/23/657351923.db2.gz DGZQMQVOQKAJCS-NFAWXSAZSA-N 1 0 385.555 1.564 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000884389232 657352265 /nfs/dbraw/zinc/35/22/65/657352265.db2.gz RJVHBVWWDZZOSO-NJZAAPMLSA-N 1 0 385.306 1.613 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884431424 657356149 /nfs/dbraw/zinc/35/61/49/657356149.db2.gz TXNRDGFNHSQKKH-KBPBESRZSA-N 1 0 379.254 1.931 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(F)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000884500537 657361258 /nfs/dbraw/zinc/36/12/58/657361258.db2.gz JOIYRAJTVYQYNV-NXEZZACHSA-N 1 0 381.757 1.691 20 0 GDADRO Cc1cc(NC(=O)C[NH2+][C@](C)(CO)c2cccc(Br)c2)n(C)n1 ZINC000934497893 657363957 /nfs/dbraw/zinc/36/39/57/657363957.db2.gz RYWFWFOZRBIHDU-MRXNPFEDSA-N 1 0 381.274 1.927 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884562995 657364367 /nfs/dbraw/zinc/36/43/67/657364367.db2.gz QQDKGVUEMBZQHP-YVEFUNNKSA-N 1 0 396.285 1.142 20 0 GDADRO C[C@@](CO)([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1cccc(Br)c1 ZINC000934498094 657364789 /nfs/dbraw/zinc/36/47/89/657364789.db2.gz YCSLTGVPLADENR-KRWDZBQOSA-N 1 0 398.301 1.967 20 0 GDADRO O=C(NCC1(c2ccccc2Br)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884586385 657366011 /nfs/dbraw/zinc/36/60/11/657366011.db2.gz JGPRZHYXDSKPKI-RYUDHWBXSA-N 1 0 378.270 1.170 20 0 GDADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884666628 657369757 /nfs/dbraw/zinc/36/97/57/657369757.db2.gz JSIUNSJLBSFEDI-SNVBAGLBSA-N 1 0 380.222 1.971 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1)C1CC1 ZINC000884678833 657370517 /nfs/dbraw/zinc/37/05/17/657370517.db2.gz NONBHOCOLIDEFU-AWEZNQCLSA-N 1 0 380.286 1.450 20 0 GDADRO OC[C@H]([NH2+]CCN1CCOCC1)c1ccccc1I ZINC000934826853 657380273 /nfs/dbraw/zinc/38/02/73/657380273.db2.gz OTUBNWTYJOPDMG-AWEZNQCLSA-N 1 0 376.238 1.246 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN[C@H](CO)c1ccccc1I ZINC000934828671 657381875 /nfs/dbraw/zinc/38/18/75/657381875.db2.gz QZOMGOKOBXZNSI-BXUZGUMPSA-N 1 0 378.254 1.227 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884954650 657389628 /nfs/dbraw/zinc/38/96/28/657389628.db2.gz IAVZITGHKUVNBU-KBPBESRZSA-N 1 0 385.917 1.947 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000935092632 657400160 /nfs/dbraw/zinc/40/01/60/657400160.db2.gz WOJYWIAIAJSOQJ-PBWFPOADSA-N 1 0 396.333 1.864 20 0 GDADRO CN(C(=O)C(=O)NCc1ccc(Br)cn1)C1(C[NH3+])CCCCC1 ZINC000885024330 657407211 /nfs/dbraw/zinc/40/72/11/657407211.db2.gz YVELKLZQTGYZSZ-UHFFFAOYSA-N 1 0 383.290 1.580 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000935154617 657407575 /nfs/dbraw/zinc/40/75/75/657407575.db2.gz GGYSFZPGWHUIOG-YPMHNXCESA-N 1 0 384.322 1.579 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ncc(Br)s3)C[C@@H]21 ZINC000885032562 657411139 /nfs/dbraw/zinc/41/11/39/657411139.db2.gz YZWPIPKPRKKJCU-KXUCPTDWSA-N 1 0 387.303 1.108 20 0 GDADRO Cc1cnc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000885081688 657417482 /nfs/dbraw/zinc/41/74/82/657417482.db2.gz ZLCVGVWMUQOEJI-CABCVRRESA-N 1 0 386.949 1.690 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)NCc1ccc(C)c(Br)c1 ZINC000885097402 657418887 /nfs/dbraw/zinc/41/88/87/657418887.db2.gz XQMPVDKXHJUBRG-UHFFFAOYSA-N 1 0 386.290 1.068 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000885109331 657421670 /nfs/dbraw/zinc/42/16/70/657421670.db2.gz NMLFZVOWTCBJAQ-UHFFFAOYSA-N 1 0 380.798 1.813 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000935318976 657423254 /nfs/dbraw/zinc/42/32/54/657423254.db2.gz XXUKWFLYIPZCJS-CQSZACIVSA-N 1 0 393.285 1.977 20 0 GDADRO CC(C)([NH3+])CCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000885195581 657427890 /nfs/dbraw/zinc/42/78/90/657427890.db2.gz NEGIMXKJNXFIOZ-ZDUSSCGKSA-N 1 0 383.290 1.751 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCCc2sccc2Br)CC[C@H]1[NH3+] ZINC000885209890 657428717 /nfs/dbraw/zinc/42/87/17/657428717.db2.gz DZQZMIIJXJCDJC-ZYHUDNBSSA-N 1 0 388.331 1.755 20 0 GDADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NCc2cscc2Cl)CC1 ZINC000885236069 657432505 /nfs/dbraw/zinc/43/25/05/657432505.db2.gz YGTBUZWERATIDH-LSDHHAIUSA-N 1 0 385.917 1.763 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000935429824 657432528 /nfs/dbraw/zinc/43/25/28/657432528.db2.gz GINPJLVRFSPYET-LBPRGKRZSA-N 1 0 384.274 1.305 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000885290533 657441194 /nfs/dbraw/zinc/44/11/94/657441194.db2.gz HZFLOYMDEXLXBF-MNOVXSKESA-N 1 0 390.481 1.121 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1=O ZINC000935848958 657500728 /nfs/dbraw/zinc/50/07/28/657500728.db2.gz IMCIAGABTWSCQL-CYBMUJFWSA-N 1 0 398.301 1.332 20 0 GDADRO O=C(c1cnn2cccc(Br)c12)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000935983632 657535020 /nfs/dbraw/zinc/53/50/20/657535020.db2.gz JXTDZAHCAOMIKH-NWDGAFQWSA-N 1 0 379.258 1.378 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C1(n2cc(Br)cn2)CC1 ZINC000936010360 657541368 /nfs/dbraw/zinc/54/13/68/657541368.db2.gz XVZFICBPCVADTP-UHFFFAOYSA-N 1 0 386.338 1.477 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1nn2c(c1Br)CCC2 ZINC000885895619 657585695 /nfs/dbraw/zinc/58/56/95/657585695.db2.gz ISJJNYGDMWGUKY-GFCCVEGCSA-N 1 0 383.290 1.575 20 0 GDADRO O=S(=O)(NCC[NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)s1 ZINC000886043399 657591720 /nfs/dbraw/zinc/59/17/20/657591720.db2.gz BSNDGKGAUDUIHB-LBPRGKRZSA-N 1 0 394.946 1.998 20 0 GDADRO Cn1ccn2c(CC[NH2+]Cc3c(F)cccc3Br)nnc2c1=O ZINC000886282464 657634835 /nfs/dbraw/zinc/63/48/35/657634835.db2.gz JWGCTEGPJKSLHW-UHFFFAOYSA-N 1 0 380.221 1.662 20 0 GDADRO Cn1ccn2c(CC[NH2+]Cc3cc(F)cc(Br)c3)nnc2c1=O ZINC000886282507 657634869 /nfs/dbraw/zinc/63/48/69/657634869.db2.gz LRBJGDGDFQEGCM-UHFFFAOYSA-N 1 0 380.221 1.662 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000886319685 657642348 /nfs/dbraw/zinc/64/23/48/657642348.db2.gz LNHSHGSJMYQLEJ-NSHDSACASA-N 1 0 385.477 1.549 20 0 GDADRO CC[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886411349 657651843 /nfs/dbraw/zinc/65/18/43/657651843.db2.gz SKZCHYSJLYRCFP-GJZGRUSLSA-N 1 0 375.535 1.599 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](CO)([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000886428569 657657938 /nfs/dbraw/zinc/65/79/38/657657938.db2.gz COYCYTOYQSGVOS-YOEHRIQHSA-N 1 0 376.519 1.163 20 0 GDADRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC000886602511 657678177 /nfs/dbraw/zinc/67/81/77/657678177.db2.gz SRILFYADSVQGNG-JSGCOSHPSA-N 1 0 384.571 1.840 20 0 GDADRO COc1cc([C@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)ccc1S(C)(=O)=O ZINC000886734605 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Cc1[nH+]ccc(N2CCN(C(=O)CN3CCOCC3)CC2)c1Br ZINC000891659008 658260705 /nfs/dbraw/zinc/26/07/05/658260705.db2.gz BSEZLIXGAXZWDI-UHFFFAOYSA-N 1 0 383.290 1.133 20 0 GDADRO CN(CCCCCC[NH3+])C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000891663538 658261349 /nfs/dbraw/zinc/26/13/49/658261349.db2.gz GNVIWDFTEUYOAY-UHFFFAOYSA-N 1 0 388.456 1.461 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(C)s1 ZINC000891697992 658266469 /nfs/dbraw/zinc/26/64/69/658266469.db2.gz VNSMGCRMYMAUPK-ZIAGYGMSSA-N 1 0 386.543 1.179 20 0 GDADRO CN(CCNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)S(=O)(=O)c1cccs1 ZINC000891697788 658266636 /nfs/dbraw/zinc/26/66/36/658266636.db2.gz NHUSYBGIPABAFP-CYBMUJFWSA-N 1 0 388.559 1.446 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)CC(C)C ZINC000891755517 658270007 /nfs/dbraw/zinc/27/00/07/658270007.db2.gz XAHDLVJRRICXHM-OWCLPIDISA-N 1 0 376.567 1.309 20 0 GDADRO CS(=O)(=O)CC1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000891926128 658283067 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[NH3+][C@H]1C[C@@H](CNC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)C1 ZINC000892560443 658333585 /nfs/dbraw/zinc/33/35/85/658333585.db2.gz RUXFMWIPBZHIOT-DDTOSNHZSA-N 1 0 381.274 1.369 20 0 GDADRO O=C(NCCOC(F)(F)C(F)(F)F)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892703413 658345042 /nfs/dbraw/zinc/34/50/42/658345042.db2.gz JKXSPJIHRDASNB-JTQLQIEISA-N 1 0 375.338 1.616 20 0 GDADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCn2ncc(Br)c2C1 ZINC000892755511 658347288 /nfs/dbraw/zinc/34/72/88/658347288.db2.gz IQYRQGQGNGWJHV-GFCCVEGCSA-N 1 0 398.305 1.330 20 0 GDADRO CCOC(=O)c1ncc(Br)c(NC[C@@]2([NH+](C)C)CCSC2)n1 ZINC000892795593 658350108 /nfs/dbraw/zinc/35/01/08/658350108.db2.gz CVZBEJCGUREXDT-AWEZNQCLSA-N 1 0 389.319 1.687 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CCN(Cc3cccs3)CC1)C2 ZINC000892885712 658358028 /nfs/dbraw/zinc/35/80/28/658358028.db2.gz YYYGBQNNFRFAMH-UHFFFAOYSA-N 1 0 377.539 1.959 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000892905293 658359460 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20 0 GDADRO C[C@H]1C[N@H+](CCCOC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CCO1 ZINC000893393804 658400280 /nfs/dbraw/zinc/40/02/80/658400280.db2.gz QCVCXRIILUPMSR-LBPRGKRZSA-N 1 0 377.409 1.951 20 0 GDADRO O=C(NCc1ccc(O)c(Br)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000893734915 658440385 /nfs/dbraw/zinc/44/03/85/658440385.db2.gz KNOQIDVOSJARFX-HUUCEWRRSA-N 1 0 398.301 1.895 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)s1 ZINC000893768602 658444978 /nfs/dbraw/zinc/44/49/78/658444978.db2.gz PAGLGOCKYFNYOL-KGLIPLIRSA-N 1 0 386.543 1.213 20 0 GDADRO Cn1ncc(I)c1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000893910140 658475232 /nfs/dbraw/zinc/47/52/32/658475232.db2.gz GZCZSKRLOOGIRX-UHFFFAOYSA-N 1 0 383.237 1.742 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2nc(Br)nn2C)CC1 ZINC000893980825 658484940 /nfs/dbraw/zinc/48/49/40/658484940.db2.gz PCIGUJYQLAQNDM-OKILXGFUSA-N 1 0 385.354 1.568 20 0 GDADRO C[C@H]1CS(=O)(=O)CCN1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894035141 658498040 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C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000894285725 658533165 /nfs/dbraw/zinc/53/31/65/658533165.db2.gz KZZKXUSJQVXIRP-KBPBESRZSA-N 1 0 377.551 1.939 20 0 GDADRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000894285733 658533326 /nfs/dbraw/zinc/53/33/26/658533326.db2.gz KZZKXUSJQVXIRP-ZIAGYGMSSA-N 1 0 377.551 1.939 20 0 GDADRO COCCOC[C@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000894289944 658534303 /nfs/dbraw/zinc/53/43/03/658534303.db2.gz KORYUZAMYQTCCP-NSHDSACASA-N 1 0 392.237 1.871 20 0 GDADRO C[N@@H+]1CCN(c2ncnc3cccc(I)c32)C[C@H]1CO ZINC000894884512 658631399 /nfs/dbraw/zinc/63/13/99/658631399.db2.gz GWXRDZWSMBPPQW-JTQLQIEISA-N 1 0 384.221 1.347 20 0 GDADRO Cc1ncc(I)c(N2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000894954189 658640465 /nfs/dbraw/zinc/64/04/65/658640465.db2.gz KKCHNNILQGUBAS-UHFFFAOYSA-N 1 0 376.242 1.283 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000895089013 658660540 /nfs/dbraw/zinc/66/05/40/658660540.db2.gz 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CCS(=O)(=O)NC1CC[NH+](C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000903010178 659290223 /nfs/dbraw/zinc/29/02/23/659290223.db2.gz PAOYDHVECPGWRD-OAHLLOKOSA-N 1 0 390.933 1.792 20 0 GDADRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903152693 659297704 /nfs/dbraw/zinc/29/77/04/659297704.db2.gz PKYZROPTZXYXJV-VIFPVBQESA-N 1 0 379.360 1.183 20 0 GDADRO O=S(=O)(NCC[NH2+][C@@H]1CCO[C@@]12CCOC2)c1ccc(F)cc1Cl ZINC000903165692 659298233 /nfs/dbraw/zinc/29/82/33/659298233.db2.gz NOWIQPDBTNLWFK-HUUCEWRRSA-N 1 0 378.853 1.295 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903172484 659298456 /nfs/dbraw/zinc/29/84/56/659298456.db2.gz ZDLRSMCJOKLBDD-ZIAGYGMSSA-N 1 0 375.535 1.836 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903192273 659300720 /nfs/dbraw/zinc/30/07/20/659300720.db2.gz KJLDKXFCTKNYAC-JOYOIKCWSA-N 1 0 378.372 1.778 20 0 GDADRO COc1ccc(C[C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1OC ZINC000903230110 659308175 /nfs/dbraw/zinc/30/81/75/659308175.db2.gz VSGDUCGQDIUQEU-GFCCVEGCSA-N 1 0 378.516 1.282 20 0 GDADRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC1 ZINC000903230153 659308367 /nfs/dbraw/zinc/30/83/67/659308367.db2.gz WGUUAKWCAMCYKD-GDBMZVCRSA-N 1 0 379.592 1.677 20 0 GDADRO CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000903235142 659310205 /nfs/dbraw/zinc/31/02/05/659310205.db2.gz RUHZDUFIULZLPC-SLTXQBBLSA-N 1 0 375.535 1.741 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000903515093 659323702 /nfs/dbraw/zinc/32/37/02/659323702.db2.gz JJOUPWYXSFPRAC-QGZVFWFLSA-N 1 0 375.535 1.203 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(I)s2)C[C@H]1C[NH3+] ZINC000903515643 659324223 /nfs/dbraw/zinc/32/42/23/659324223.db2.gz ZNWBAAZOIQHGOQ-HTQZYQBOSA-N 1 0 386.280 1.568 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1F ZINC000903517561 659324713 /nfs/dbraw/zinc/32/47/13/659324713.db2.gz FLKGLRQOCLLORP-PSASIEDQSA-N 1 0 381.267 1.873 20 0 GDADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903518447 659325385 /nfs/dbraw/zinc/32/53/85/659325385.db2.gz NZWZYJVPSWTWCJ-LLVKDONJSA-N 1 0 391.287 1.691 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(I)s1 ZINC000903519876 659326973 /nfs/dbraw/zinc/32/69/73/659326973.db2.gz PKUUFHBRPJMHEH-UHFFFAOYSA-N 1 0 388.296 1.971 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000903534052 659332145 /nfs/dbraw/zinc/33/21/45/659332145.db2.gz BYLSNAZLHKDLIS-OLZOCXBDSA-N 1 0 387.571 1.587 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000903537831 659332901 /nfs/dbraw/zinc/33/29/01/659332901.db2.gz DLZLKICHNRRBBZ-UHFFFAOYSA-N 1 0 377.304 1.719 20 0 GDADRO Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903540925 659333841 /nfs/dbraw/zinc/33/38/41/659333841.db2.gz QOOJVIZGYJYQMY-KGLIPLIRSA-N 1 0 382.452 1.256 20 0 GDADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)CC[C@H]1C(F)(F)F ZINC000903539950 659333849 /nfs/dbraw/zinc/33/38/49/659333849.db2.gz RXMKGDWLQGKXLV-NXEZZACHSA-N 1 0 381.196 1.994 20 0 GDADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1ccc(OCC(F)(F)F)nc1 ZINC000903557745 659340444 /nfs/dbraw/zinc/34/04/44/659340444.db2.gz JLPHQHJQZPMSHS-UHFFFAOYSA-N 1 0 379.404 1.833 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903556157 659340472 /nfs/dbraw/zinc/34/04/72/659340472.db2.gz OVZVVFYZEYRURS-GHMZBOCLSA-N 1 0 379.404 1.793 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc2c(cc1Br)OCCO2 ZINC000903560518 659340816 /nfs/dbraw/zinc/34/08/16/659340816.db2.gz HOGXMHADZYCGEO-JMJZKYOTSA-N 1 0 389.271 1.392 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000903565002 659342537 /nfs/dbraw/zinc/34/25/37/659342537.db2.gz BUUVCXLJOHBDIY-UHFFFAOYSA-N 1 0 380.283 1.290 20 0 GDADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000903565438 659342974 /nfs/dbraw/zinc/34/29/74/659342974.db2.gz KVXWEIRXSOLDNC-UHFFFAOYSA-N 1 0 378.901 1.168 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000903565656 659342996 /nfs/dbraw/zinc/34/29/96/659342996.db2.gz APEVLRKCKZWLOA-UHFFFAOYSA-N 1 0 380.283 1.290 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000903566042 659343505 /nfs/dbraw/zinc/34/35/05/659343505.db2.gz XOXORTMTKMQMED-UHFFFAOYSA-N 1 0 376.320 1.292 20 0 GDADRO CCOC(=O)c1ccc(C)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903572219 659345037 /nfs/dbraw/zinc/34/50/37/659345037.db2.gz IUPJBGMDMFAGLS-VXGBXAGGSA-N 1 0 380.388 1.682 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(F)cc1C ZINC000903572229 659345125 /nfs/dbraw/zinc/34/51/25/659345125.db2.gz JMTSIZBFHZBZCM-MWLCHTKSSA-N 1 0 384.351 1.431 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@H]1C(F)(F)F ZINC000903572413 659345146 /nfs/dbraw/zinc/34/51/46/659345146.db2.gz OQLPGZDRCRQUDV-CHWSQXEVSA-N 1 0 380.388 1.271 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cnc2c1Cl ZINC000903572037 659345179 /nfs/dbraw/zinc/34/51/79/659345179.db2.gz DHQKHEXXSMERGC-RKDXNWHRSA-N 1 0 383.783 1.201 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903574468 659346048 /nfs/dbraw/zinc/34/60/48/659346048.db2.gz RWMMKIVZLGRFKG-CZUORRHYSA-N 1 0 382.873 1.608 20 0 GDADRO CN(C)C(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903578005 659348573 /nfs/dbraw/zinc/34/85/73/659348573.db2.gz AMWWQTOXZXVIJW-STQMWFEESA-N 1 0 379.404 1.289 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1F ZINC000903578100 659348819 /nfs/dbraw/zinc/34/88/19/659348819.db2.gz BRXKTCQDUODAJF-PWSUYJOCSA-N 1 0 384.351 1.513 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000903584276 659353100 /nfs/dbraw/zinc/35/31/00/659353100.db2.gz KVFAQCNAAKJODP-CYBMUJFWSA-N 1 0 393.303 1.824 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1C(F)(F)F ZINC000903587023 659354534 /nfs/dbraw/zinc/35/45/34/659354534.db2.gz NLFDXHSUMINZMI-GFCCVEGCSA-N 1 0 380.388 1.850 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903587176 659354970 /nfs/dbraw/zinc/35/49/70/659354970.db2.gz RBLXWVLRDMWEMA-CYBMUJFWSA-N 1 0 389.905 1.408 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)s1 ZINC000903587673 659355055 /nfs/dbraw/zinc/35/50/55/659355055.db2.gz ZZOGMRLBPVRIAS-AWEZNQCLSA-N 1 0 387.571 1.811 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000903590071 659356021 /nfs/dbraw/zinc/35/60/21/659356021.db2.gz LISNDEQYYZEGJL-UHFFFAOYSA-N 1 0 388.433 1.599 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903590457 659356237 /nfs/dbraw/zinc/35/62/37/659356237.db2.gz WLCIXGAXFWVJAH-YGRLFVJLSA-N 1 0 375.288 1.960 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(CC[NH2+]C)C(C)C)c1 ZINC000903590418 659356247 /nfs/dbraw/zinc/35/62/47/659356247.db2.gz WKBKFHGSTKGBDG-UHFFFAOYSA-N 1 0 391.559 1.336 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cc1Br ZINC000903596866 659358086 /nfs/dbraw/zinc/35/80/86/659358086.db2.gz UCKVELVNMUKLSL-CQSZACIVSA-N 1 0 375.288 1.974 20 0 GDADRO CN(C)[S@@](C)(=O)=NS(=O)(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000903605050 659360633 /nfs/dbraw/zinc/36/06/33/659360633.db2.gz VCGHUNCMFCFCKG-QHCPKHFHSA-N 1 0 378.520 1.248 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cc1)C(F)(F)F ZINC000903609381 659361838 /nfs/dbraw/zinc/36/18/38/659361838.db2.gz BOGFHJCXVDCVQT-HZMBPMFUSA-N 1 0 377.388 1.608 20 0 GDADRO CCc1cnc(CN(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903754418 659378663 /nfs/dbraw/zinc/37/86/63/659378663.db2.gz HTHXHTURFAMPCN-GHMZBOCLSA-N 1 0 378.420 1.402 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903791511 659380872 /nfs/dbraw/zinc/38/08/72/659380872.db2.gz GQCGWDKXEFIUIB-NSHDSACASA-N 1 0 384.249 1.293 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903793141 659381211 /nfs/dbraw/zinc/38/12/11/659381211.db2.gz WMMNRLIOKUBYOO-NSHDSACASA-N 1 0 398.276 1.670 20 0 GDADRO COC[C@H]1C[NH2+]CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000903878567 659386489 /nfs/dbraw/zinc/38/64/89/659386489.db2.gz ZGKOXRIZQKEGLB-CYBMUJFWSA-N 1 0 377.304 1.143 20 0 GDADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)c(Cl)c1 ZINC000903970221 659391768 /nfs/dbraw/zinc/39/17/68/659391768.db2.gz SJFWMTQWVJZJAX-ZIAGYGMSSA-N 1 0 387.933 1.732 20 0 GDADRO CSCc1cccc(-c2noc(C[C@@H]3CS(=O)(=O)[C@H]4C[NH2+]C[C@H]43)n2)c1 ZINC000904092640 659394861 /nfs/dbraw/zinc/39/48/61/659394861.db2.gz SFRPSGJLFHNSDD-ILXRZTDVSA-N 1 0 379.507 1.775 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3cccc(Br)c3)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904088346 659395031 /nfs/dbraw/zinc/39/50/31/659395031.db2.gz VOWZQHNSRJDTCZ-DRZSPHRISA-N 1 0 398.282 1.674 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000904495050 659402596 /nfs/dbraw/zinc/40/25/96/659402596.db2.gz PNYYAJHKNBTDEZ-ZDUSSCGKSA-N 1 0 398.305 1.800 20 0 GDADRO CC(=O)N(C)CCc1noc(C[C@@H]([NH3+])Cc2ccc(Br)cc2)n1 ZINC000904621864 659404583 /nfs/dbraw/zinc/40/45/83/659404583.db2.gz DYYMWWCNBVZREH-AWEZNQCLSA-N 1 0 381.274 1.965 20 0 GDADRO COc1cc(Br)ccc1CCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905206307 659432998 /nfs/dbraw/zinc/43/29/98/659432998.db2.gz BWWFJUDYWBPBKH-NVXWUHKLSA-N 1 0 388.302 1.882 20 0 GDADRO O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1nc2ccc(Br)cn2n1 ZINC000905289716 659440476 /nfs/dbraw/zinc/44/04/76/659440476.db2.gz WGNRXUIIZVWMCQ-GFCCVEGCSA-N 1 0 394.273 1.380 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000905338321 659443866 /nfs/dbraw/zinc/44/38/66/659443866.db2.gz FLDZCDOUIORSHR-GFCCVEGCSA-N 1 0 397.324 1.652 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@H]2CC[NH2+]C2(C)C)cc1Br ZINC000905354146 659446085 /nfs/dbraw/zinc/44/60/85/659446085.db2.gz NTTSPDBAEUYYOQ-ZDUSSCGKSA-N 1 0 393.303 1.885 20 0 GDADRO C[C@@](O)(C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)C(F)(F)C(F)(F)F ZINC000905364442 659447800 /nfs/dbraw/zinc/44/78/00/659447800.db2.gz JMXAIQUXQOZCNV-PSASIEDQSA-N 1 0 397.387 1.421 20 0 GDADRO C[C@@](O)(C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)C(F)(F)C(F)(F)F ZINC000905364444 659447901 /nfs/dbraw/zinc/44/79/01/659447901.db2.gz JMXAIQUXQOZCNV-WCBMZHEXSA-N 1 0 397.387 1.421 20 0 GDADRO O[C@H](C[NH2+]C[C@@H](O)CC1(O)CCCC1)COc1ccccc1Br ZINC000905369453 659448542 /nfs/dbraw/zinc/44/85/42/659448542.db2.gz ZKBOBGMYZMLZCY-UONOGXRCSA-N 1 0 388.302 1.835 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)cc1 ZINC000905408420 659451390 /nfs/dbraw/zinc/45/13/90/659451390.db2.gz JRCZZFCOZPDSQP-LBPRGKRZSA-N 1 0 390.374 1.675 20 0 GDADRO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]CC[C@H]2CCCS2(=O)=O)CC1 ZINC000905432581 659452668 /nfs/dbraw/zinc/45/26/68/659452668.db2.gz QUUOWSYVJDFNOZ-SWKXRBFHSA-N 1 0 375.531 1.806 20 0 GDADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000905453098 659454592 /nfs/dbraw/zinc/45/45/92/659454592.db2.gz NSYFTXRJJKBRQY-JOCQHMNTSA-N 1 0 375.288 1.943 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000905479831 659457375 /nfs/dbraw/zinc/45/73/75/659457375.db2.gz ARDRBWNJUWBWPG-LBPRGKRZSA-N 1 0 397.324 1.747 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000905479967 659457488 /nfs/dbraw/zinc/45/74/88/659457488.db2.gz BPSAOQJPFVNAOB-LLVKDONJSA-N 1 0 397.324 1.747 20 0 GDADRO CCOC(=O)C1CCC(O)(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000905508522 659460515 /nfs/dbraw/zinc/46/05/15/659460515.db2.gz IZVKESSEHYAMKD-UHFFFAOYSA-N 1 0 375.531 1.664 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000905530066 659462450 /nfs/dbraw/zinc/46/24/50/659462450.db2.gz MSGLYVPTUXWTCC-UHFFFAOYSA-N 1 0 378.608 1.289 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000905559150 659465435 /nfs/dbraw/zinc/46/54/35/659465435.db2.gz VXVBAUWPJWXLLA-CVEARBPZSA-N 1 0 377.890 1.011 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000905568629 659466231 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O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cn(C2CC2)c1=O ZINC000906459678 659543312 /nfs/dbraw/zinc/54/33/12/659543312.db2.gz NRDHILXDVOMWIJ-ZIAGYGMSSA-N 1 0 396.285 1.539 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906478230 659546231 /nfs/dbraw/zinc/54/62/31/659546231.db2.gz JHQHZAHPRJWCEE-UHFFFAOYSA-N 1 0 397.317 1.306 20 0 GDADRO COCCOc1ccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc1Br ZINC000906676520 659569080 /nfs/dbraw/zinc/56/90/80/659569080.db2.gz UWCHDVCQTLGFAW-JTQLQIEISA-N 1 0 388.262 1.218 20 0 GDADRO O=C(Nc1ccnn1Cc1ccc(Cl)s1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000906681066 659569808 /nfs/dbraw/zinc/56/98/08/659569808.db2.gz HETKPSHZOLOWFF-PHIMTYICSA-N 1 0 379.873 1.548 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)CC1 ZINC000906692475 659572604 /nfs/dbraw/zinc/57/26/04/659572604.db2.gz AFCWEOXKTWNOHH-UHFFFAOYSA-N 1 0 381.152 1.409 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000906705937 659573900 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[NH3+][C@H]1CN(C(=O)C(=O)NCCc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000911092076 659994033 /nfs/dbraw/zinc/99/40/33/659994033.db2.gz UKZQMXFTZLXJNF-YPMHNXCESA-N 1 0 377.794 1.737 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1Br ZINC000911099897 659994225 /nfs/dbraw/zinc/99/42/25/659994225.db2.gz GLRFNKWDKILMQJ-BYCMXARLSA-N 1 0 394.313 1.852 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000911100651 659994388 /nfs/dbraw/zinc/99/43/88/659994388.db2.gz QPFWHOATENYECF-GUYCJALGSA-N 1 0 380.286 1.448 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911113358 659995058 /nfs/dbraw/zinc/99/50/58/659995058.db2.gz NSXMNBSAMWDYNV-FRRDWIJNSA-N 1 0 382.258 1.083 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000911154821 659996737 /nfs/dbraw/zinc/99/67/37/659996737.db2.gz FFCACQKSFBIWFI-VXGBXAGGSA-N 1 0 398.301 1.517 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000911176526 659997551 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385.295 1.412 20 0 GDADRO [NH3+][C@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000911259772 660000911 /nfs/dbraw/zinc/00/09/11/660000911.db2.gz VATNWDKCQWZZFN-STQMWFEESA-N 1 0 377.794 1.737 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@H]1c1cncc(Br)c1)C1CC1 ZINC000911272906 660001258 /nfs/dbraw/zinc/00/12/58/660001258.db2.gz FWVOXVCROZVLMX-KGLIPLIRSA-N 1 0 381.274 1.361 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911277594 660001462 /nfs/dbraw/zinc/00/14/62/660001462.db2.gz VPMOVAIELMHNCT-LSDHHAIUSA-N 1 0 395.301 1.766 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000911280079 660001519 /nfs/dbraw/zinc/00/15/19/660001519.db2.gz HRVISAJBGQLPPX-YMAMQOFZSA-N 1 0 395.301 1.894 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)CC[NH2+]1 ZINC000911303099 660002502 /nfs/dbraw/zinc/00/25/02/660002502.db2.gz NGHOAJGWOGJWCY-ZWNOBZJWSA-N 1 0 398.276 1.730 20 0 GDADRO O=C(NCc1ncc(Br)s1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 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660180588 /nfs/dbraw/zinc/18/05/88/660180588.db2.gz VEZVYSFKVMTXKG-UKRRQHHQSA-N 1 0 375.535 1.309 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000916024050 660182939 /nfs/dbraw/zinc/18/29/39/660182939.db2.gz DUWCPMLEEPHALB-CABCVRRESA-N 1 0 382.555 1.850 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595042509 677678940 /nfs/dbraw/zinc/67/89/40/677678940.db2.gz UDNPWNMWSONAQA-LBPRGKRZSA-N 1 0 380.251 1.417 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nc(C(F)(F)F)ns2)C1 ZINC001055034625 677679643 /nfs/dbraw/zinc/67/96/43/677679643.db2.gz YOMLFARIQSEJFH-ZNSHCXBVSA-N 1 0 375.420 1.735 20 0 GDADRO CS(=O)(=O)c1cc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@H]3C2)cnc1Cl ZINC001164389582 718826736 /nfs/dbraw/zinc/82/67/36/718826736.db2.gz IUSXYDBZAGQOAG-MNOVXSKESA-N 1 0 381.832 1.251 20 0 GDADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164388682 718827140 /nfs/dbraw/zinc/82/71/40/718827140.db2.gz DPALOQPAMRAPDA-RKDXNWHRSA-N 1 0 375.832 1.938 20 0 GDADRO OC[C@]12C[NH2+]C[C@H]1CN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164402122 718854058 /nfs/dbraw/zinc/85/40/58/718854058.db2.gz FCGTZRZYRCBCCL-MORSLUCNSA-N 1 0 378.835 1.943 20 0 GDADRO CCOC(=O)c1ccc(C(F)(F)N2CC[NH2+]C[C@@H]2C(=O)OC)c(Cl)n1 ZINC001164629460 719135347 /nfs/dbraw/zinc/13/53/47/719135347.db2.gz BGHCHWFLIJWPBD-LLVKDONJSA-N 1 0 377.775 1.408 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164632155 719137393 /nfs/dbraw/zinc/13/73/93/719137393.db2.gz PVHYJCXERYWWTC-JTQLQIEISA-N 1 0 378.763 1.323 20 0 GDADRO CC[C@@H]1C(=O)Nc2cnc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)nc2N1C1CCCC1 ZINC001164667765 719393095 /nfs/dbraw/zinc/39/30/95/719393095.db2.gz PINAHZPJOSALMM-IXDOHACOSA-N 1 0 386.500 1.476 20 0 GDADRO C[NH+]1CCN(c2cccc(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@H]43)n2)CC1 ZINC001164679024 719541275 /nfs/dbraw/zinc/54/12/75/719541275.db2.gz QIKRKCKMSPDIEW-GUDVDZBRSA-N 1 0 399.539 1.440 20 0 GDADRO 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CC1(C(=O)N2CCCO[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001571287414 945973362 /nfs/dbraw/zinc/97/33/62/945973362.db2.gz DEMBVINENKICNE-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO CN(C(=O)[C@H]1CCCCO1)[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287611 945975363 /nfs/dbraw/zinc/97/53/63/945975363.db2.gz GCYBUVYRNNQQAL-DOTOQJQBSA-N 1 0 388.447 1.608 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571287658 945979004 /nfs/dbraw/zinc/97/90/04/945979004.db2.gz HEQXRARPCCNJED-ZXYWRSMDSA-N 1 0 388.447 1.179 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@H]1CCCCO1 ZINC001571287982 945980451 /nfs/dbraw/zinc/98/04/51/945980451.db2.gz KLOZUTYMXRKYCA-CKEIUWERSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)CC1(O)CCC1 ZINC001571288027 945981295 /nfs/dbraw/zinc/98/12/95/945981295.db2.gz LLFXMHDLONFNTA-LRDDRELGSA-N 1 0 388.447 1.390 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCOC2)CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571288749 945993523 /nfs/dbraw/zinc/99/35/23/945993523.db2.gz STCHUAJUJQWXGA-RNRVQEDPSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571289713 946015136 /nfs/dbraw/zinc/01/51/36/946015136.db2.gz KWZGNUCTTQUAOL-PNPHSEOMSA-N 1 0 388.497 1.578 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571289769 946016940 /nfs/dbraw/zinc/01/69/40/946016940.db2.gz MBROPPAWPVEBTP-LWTNXATQSA-N 1 0 388.497 1.338 20 0 GDADRO CC1(NC(=O)c2cc(Cl)no2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571290386 946042499 /nfs/dbraw/zinc/04/24/99/946042499.db2.gz CQTLDSFUBUYPQO-UHFFFAOYSA-N 1 0 388.819 1.692 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000822535344 946118490 /nfs/dbraw/zinc/11/84/90/946118490.db2.gz NXTYPHRWIAFGLF-DGCLKSJQSA-N 1 0 381.440 1.914 20 0 GDADRO Cc1sc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2nn[nH]n2)c1C ZINC000822559197 946128901 /nfs/dbraw/zinc/12/89/01/946128901.db2.gz XWRAMRZSMJKAEF-CYBMUJFWSA-N 1 0 375.502 1.652 20 0 GDADRO Cc1cnccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001571294508 946135759 /nfs/dbraw/zinc/13/57/59/946135759.db2.gz HYKGOAMWALZQTL-HDICACEKSA-N 1 0 389.463 1.774 20 0 GDADRO Cn1cc(C[C@@H]2CC[N@H+](Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)cn1 ZINC000822673955 946152313 /nfs/dbraw/zinc/15/23/13/946152313.db2.gz HMDDATZLGBXSGU-ZDUSSCGKSA-N 1 0 391.439 1.715 20 0 GDADRO O=C([C@@H]1COc2ccccc21)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571295667 946172575 /nfs/dbraw/zinc/17/25/75/946172575.db2.gz BOFHNXIGHAXBOM-SJLPKXTDSA-N 1 0 390.447 1.733 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)F)CC2(C)C)cc1-c1nn[nH]n1 ZINC001571297922 946200788 /nfs/dbraw/zinc/20/07/88/946200788.db2.gz DKBHUMADRMRJHE-OAHLLOKOSA-N 1 0 390.463 1.950 20 0 GDADRO Cc1cc(N2CC[C@]3(NC(=O)c4cccnc4)CCC[C@@H]23)c(-c2nn[nH]n2)c[nH+]1 ZINC001571298862 946233278 /nfs/dbraw/zinc/23/32/78/946233278.db2.gz LAOXQZHWOVCMCR-YLJYHZDGSA-N 1 0 390.451 1.897 20 0 GDADRO O=C(CCn1cccc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822987393 946248057 /nfs/dbraw/zinc/24/80/57/946248057.db2.gz XCLJJEWGEHOAJP-UHFFFAOYSA-N 1 0 379.468 1.793 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)COC1CCCC1 ZINC001571299871 946264832 /nfs/dbraw/zinc/26/48/32/946264832.db2.gz PZBCABSCENYPIW-QWHCGFSZSA-N 1 0 390.513 1.966 20 0 GDADRO CO[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001571299923 946266916 /nfs/dbraw/zinc/26/69/16/946266916.db2.gz RFOQEFGQRFVJQZ-CJNGLKHVSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571302344 946299346 /nfs/dbraw/zinc/29/93/46/946299346.db2.gz VJNXIFCPRWYXIE-FRRDWIJNSA-N 1 0 391.426 1.625 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000823210920 946343619 /nfs/dbraw/zinc/34/36/19/946343619.db2.gz HPIDGXOWWWDGNI-UHFFFAOYSA-N 1 0 399.499 1.763 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCN1C(=O)Cc1cccnc1 ZINC001571305705 946372808 /nfs/dbraw/zinc/37/28/08/946372808.db2.gz ANPZQYBQSRSVTJ-IBGZPJMESA-N 1 0 391.479 1.927 20 0 GDADRO CCc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)cc1 ZINC001571306111 946387357 /nfs/dbraw/zinc/38/73/57/946387357.db2.gz GXCGFMHWFZKNGG-NNZMDNLPSA-N 1 0 391.479 1.865 20 0 GDADRO CCc1ccc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC001571306409 946400826 /nfs/dbraw/zinc/40/08/26/946400826.db2.gz KDJPOOYFVWBUOT-WGSAOQKQSA-N 1 0 391.479 1.804 20 0 GDADRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3CC3(F)F)C2)cc1-c1nn[nH]n1 ZINC001571308902 946438342 /nfs/dbraw/zinc/43/83/42/946438342.db2.gz VBSGEZHOLIURJE-ORHYLEIMSA-N 1 0 392.410 1.515 20 0 GDADRO O=C1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1CCOc1ccccc1 ZINC000823519466 946443678 /nfs/dbraw/zinc/44/36/78/946443678.db2.gz FZPDUYXDZICKFF-QGZVFWFLSA-N 1 0 378.436 1.636 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCCN1C(=O)c1ncccn1 ZINC001571310315 946468482 /nfs/dbraw/zinc/46/84/82/946468482.db2.gz BIIHBEOPVCOYLF-WMLDXEAASA-N 1 0 392.467 1.830 20 0 GDADRO CCc1cccc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)n1 ZINC001571312854 946502855 /nfs/dbraw/zinc/50/28/55/946502855.db2.gz DTSJEXXGMJWJFB-CJNGLKHVSA-N 1 0 392.467 1.604 20 0 GDADRO C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571312860 946503038 /nfs/dbraw/zinc/50/30/38/946503038.db2.gz DTVYLBXMJFVHHC-SJKOYZFVSA-N 1 0 392.467 1.329 20 0 GDADRO CN(C)c1ccc(C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001571313023 946508018 /nfs/dbraw/zinc/50/80/18/946508018.db2.gz HZDBYILOEVXAKV-UHFFFAOYSA-N 1 0 392.467 1.370 20 0 GDADRO CCc1cccnc1C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571313406 946520467 /nfs/dbraw/zinc/52/04/67/946520467.db2.gz ODPWJNTWAWTUSJ-OAHLLOKOSA-N 1 0 392.467 1.878 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cncnc1 ZINC001571313510 946525825 /nfs/dbraw/zinc/52/58/25/946525825.db2.gz QMVHWRVXKAHJSD-KDOFPFPSSA-N 1 0 392.467 1.369 20 0 GDADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000823973919 946529347 /nfs/dbraw/zinc/52/93/47/946529347.db2.gz MLJFCXVPJYJYJB-HNNXBMFYSA-N 1 0 394.483 1.567 20 0 GDADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823972539 946531221 /nfs/dbraw/zinc/53/12/21/946531221.db2.gz CBZWGTJNXDKVJT-YJBOKZPZSA-N 1 0 397.483 1.162 20 0 GDADRO CN(C)c1ccc(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571313749 946532006 /nfs/dbraw/zinc/53/20/06/946532006.db2.gz VMXYAFGKALSVLA-UHFFFAOYSA-N 1 0 392.467 1.190 20 0 GDADRO Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC001571314739 946543366 /nfs/dbraw/zinc/54/33/66/946543366.db2.gz BSFMUMKUHOOISY-QGZVFWFLSA-N 1 0 392.467 1.750 20 0 GDADRO Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)c3ccc(C)c(C)n3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314897 946544833 /nfs/dbraw/zinc/54/48/33/946544833.db2.gz DABSOOCBOSEOSG-DZGCQCFKSA-N 1 0 392.467 1.719 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2(C)C)nn1 ZINC001571315130 946546809 /nfs/dbraw/zinc/54/68/09/946546809.db2.gz GLHJYGKOWREFFB-KRWDZBQOSA-N 1 0 392.467 1.606 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cnn1 ZINC001571315225 946551297 /nfs/dbraw/zinc/55/12/97/946551297.db2.gz HRZKOSDXBDFMLD-AEFFLSMTSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)ncn1 ZINC001571315610 946555681 /nfs/dbraw/zinc/55/56/81/946555681.db2.gz MHZJLRVCYPXNNG-HNNXBMFYSA-N 1 0 392.467 1.607 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cn2c(n1)CCC2 ZINC001571316429 946576933 /nfs/dbraw/zinc/57/69/33/946576933.db2.gz CIKRINFGDQXCOX-FZNQNYSPSA-N 1 0 392.467 1.308 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C23CCC3)n1 ZINC001571316551 946579640 /nfs/dbraw/zinc/57/96/40/946579640.db2.gz GCIQSYMFDCUBRF-IAGOWNOFSA-N 1 0 392.467 1.431 20 0 GDADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccn1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571316632 946581402 /nfs/dbraw/zinc/58/14/02/946581402.db2.gz IRYZPIMFSUSBBG-AYGBPOKTSA-N 1 0 392.467 1.763 20 0 GDADRO Cc1nnccc1C(=O)N1CCC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571316564 946582243 /nfs/dbraw/zinc/58/22/43/946582243.db2.gz GRSXQYNCLLCQMG-UHFFFAOYSA-N 1 0 392.467 1.607 20 0 GDADRO Cn1ncc(C2CC2)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316769 946586766 /nfs/dbraw/zinc/58/67/66/946586766.db2.gz MGGAHYRZDJRBMJ-MRXNPFEDSA-N 1 0 392.467 1.482 20 0 GDADRO Cn1cnc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571317053 946597279 /nfs/dbraw/zinc/59/72/79/946597279.db2.gz UGVOGOXQWHLJFZ-CRAIPNDOSA-N 1 0 392.467 1.337 20 0 GDADRO CC(C)(C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCOCC1 ZINC000824158379 946602668 /nfs/dbraw/zinc/60/26/68/946602668.db2.gz VCNUHKSBHNIXOK-UHFFFAOYSA-N 1 0 399.543 1.532 20 0 GDADRO CC[C@H](C(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571317514 946611726 /nfs/dbraw/zinc/61/17/26/946611726.db2.gz KSUPRWNQRQJRRG-QWHCGFSZSA-N 1 0 392.533 1.399 20 0 GDADRO O=C(c1cc2n(n1)CCCC2)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317439 946611807 /nfs/dbraw/zinc/61/18/07/946611807.db2.gz HWOQSDCJQCPLMQ-MRXNPFEDSA-N 1 0 392.467 1.404 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573522219 946621833 /nfs/dbraw/zinc/62/18/33/946621833.db2.gz CILKFNFCPCNZMG-STQMWFEESA-N 1 0 387.488 1.012 20 0 GDADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824384983 946675359 /nfs/dbraw/zinc/67/53/59/946675359.db2.gz JEUDSRHMXRNTGW-ZDUSSCGKSA-N 1 0 387.488 1.940 20 0 GDADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824571344 946812986 /nfs/dbraw/zinc/81/29/86/946812986.db2.gz QBVAWNLPRQZAAU-RISCZKNCSA-N 1 0 393.494 1.414 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824975016 947014651 /nfs/dbraw/zinc/01/46/51/947014651.db2.gz IEKVESYFJXGTRP-RHSMWYFYSA-N 1 0 384.488 1.356 20 0 GDADRO CC[C@@H](C)NC(=O)CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825068435 947064465 /nfs/dbraw/zinc/06/44/65/947064465.db2.gz RQERORZNXUUAMW-OAHLLOKOSA-N 1 0 385.516 1.726 20 0 GDADRO CC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1cccc(S(N)(=O)=O)c1 ZINC000825149480 947101546 /nfs/dbraw/zinc/10/15/46/947101546.db2.gz YROKQMZVGNXIQU-OAHLLOKOSA-N 1 0 390.444 1.894 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825866531 947350224 /nfs/dbraw/zinc/35/02/24/947350224.db2.gz ZSRNIMJBVYGYSG-MRXNPFEDSA-N 1 0 386.481 1.552 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000826018331 947404001 /nfs/dbraw/zinc/40/40/01/947404001.db2.gz WALJLAYHPRBBET-UHFFFAOYSA-N 1 0 379.371 1.852 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC001573595173 947417009 /nfs/dbraw/zinc/41/70/09/947417009.db2.gz FZEBHBZEGQLYEV-RDTXWAMCSA-N 1 0 386.500 1.602 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573595930 947424877 /nfs/dbraw/zinc/42/48/77/947424877.db2.gz HSZLZHSVUYGFOC-OCCSQVGLSA-N 1 0 392.479 1.597 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(F)F ZINC001573597399 947438033 /nfs/dbraw/zinc/43/80/33/947438033.db2.gz OEDRXWHNGXFFSK-AAEUAGOBSA-N 1 0 382.415 1.067 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCCC1 ZINC001573598828 947446499 /nfs/dbraw/zinc/44/64/99/947446499.db2.gz SCNLCJIKDYAVMU-WMLDXEAASA-N 1 0 386.500 1.602 20 0 GDADRO COC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826133553 947446556 /nfs/dbraw/zinc/44/65/56/947446556.db2.gz NGAKCIVCCYZWDK-OAHLLOKOSA-N 1 0 381.440 1.652 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC001573599588 947457178 /nfs/dbraw/zinc/45/71/78/947457178.db2.gz YIODSYSAWLSXPL-XJKSGUPXSA-N 1 0 384.440 1.172 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)c1cccnc1 ZINC001573602145 947465981 /nfs/dbraw/zinc/46/59/81/947465981.db2.gz CVDXMJAHMTVFHG-HNNXBMFYSA-N 1 0 379.468 1.956 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccn1 ZINC001573616965 947632476 /nfs/dbraw/zinc/63/24/76/947632476.db2.gz KHMJLRCPNDOCFO-DOMZBBRYSA-N 1 0 384.419 1.154 20 0 GDADRO CS[C@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@@H]1N(C)C ZINC000826226746 947665875 /nfs/dbraw/zinc/66/58/75/947665875.db2.gz FRYBZARDZOAUPV-GJZGRUSLSA-N 1 0 375.502 1.173 20 0 GDADRO C/C(=C\C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1)C1CC1 ZINC001573361646 947694612 /nfs/dbraw/zinc/69/46/12/947694612.db2.gz DFTORSLSWXVKKJ-GGAOBQQXSA-N 1 0 381.484 1.997 20 0 GDADRO Cc1c(Cl)cnc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1-c1nn[nH]n1 ZINC000826238102 947699813 /nfs/dbraw/zinc/69/98/13/947699813.db2.gz WNGDNTVIZSDHLM-CYBMUJFWSA-N 1 0 376.896 1.440 20 0 GDADRO C[C@H](C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)C1CC1 ZINC001573627155 947720459 /nfs/dbraw/zinc/72/04/59/947720459.db2.gz ZOTAITNLPZITRC-LBPRGKRZSA-N 1 0 390.513 1.417 20 0 GDADRO CC(=O)CCCC(=O)N(C)C1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573364631 947723381 /nfs/dbraw/zinc/72/33/81/947723381.db2.gz ICNONWSJWCEKRQ-UHFFFAOYSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573367488 947759562 /nfs/dbraw/zinc/75/95/62/947759562.db2.gz DDRDJYAVNDRVNY-YJBOKZPZSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001573368854 947770627 /nfs/dbraw/zinc/77/06/27/947770627.db2.gz PZSDYBHHZIAQER-LRDDRELGSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001573369543 947774527 /nfs/dbraw/zinc/77/45/27/947774527.db2.gz UKOSQXOLWYKOEK-INIZCTEOSA-N 1 0 385.472 1.400 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573372637 947780302 /nfs/dbraw/zinc/78/03/02/947780302.db2.gz AVYWRCOUBHOSHI-INIZCTEOSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)[C@H]1C ZINC001573372687 947781911 /nfs/dbraw/zinc/78/19/11/947781911.db2.gz CCLRSJRGPWDFLB-CXAGYDPISA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573373719 947796768 /nfs/dbraw/zinc/79/67/68/947796768.db2.gz KRSMOCAGXHRQCO-INIZCTEOSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573377097 947846173 /nfs/dbraw/zinc/84/61/73/947846173.db2.gz HZTXSBQRPBWBQP-STQMWFEESA-N 1 0 376.436 1.748 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573377121 947848773 /nfs/dbraw/zinc/84/87/73/947848773.db2.gz IQMXGWDFDBZPPO-OLZOCXBDSA-N 1 0 376.436 1.748 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C1CC1 ZINC001573642374 947861397 /nfs/dbraw/zinc/86/13/97/947861397.db2.gz PZOHTTQXCJYYET-IUODEOHRSA-N 1 0 388.447 1.369 20 0 GDADRO CC(=O)CCCC(=O)NCC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573382110 947883925 /nfs/dbraw/zinc/88/39/25/947883925.db2.gz DXXCVVZVTNREHA-HNNXBMFYSA-N 1 0 385.472 1.662 20 0 GDADRO C[C@@H](C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573652259 947934143 /nfs/dbraw/zinc/93/41/43/947934143.db2.gz BYWYKJOJZFNTKT-DJJJIMSYSA-N 1 0 380.456 1.443 20 0 GDADRO Cc1onc(CC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1-c1nn[nH]n1 ZINC000826345593 948025735 /nfs/dbraw/zinc/02/57/35/948025735.db2.gz ONMJSUYUJNYDJW-INIZCTEOSA-N 1 0 381.440 1.659 20 0 GDADRO Cc1onc(CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1-c1nn[nH]n1 ZINC000826346324 948039043 /nfs/dbraw/zinc/03/90/43/948039043.db2.gz JMIILVFZOQRSTQ-UHFFFAOYSA-N 1 0 399.430 1.626 20 0 GDADRO Cn1cc(CCC[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000826360258 948117158 /nfs/dbraw/zinc/11/71/58/948117158.db2.gz CZWKDQATFMAWCX-UHFFFAOYSA-N 1 0 380.500 1.787 20 0 GDADRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCOc2ccccc2-c2nn[nH]n2)cn1 ZINC000826359746 948118394 /nfs/dbraw/zinc/11/83/94/948118394.db2.gz PGSHNRQHDAVKNX-WBVHZDCISA-N 1 0 383.456 1.567 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573676315 948126504 /nfs/dbraw/zinc/12/65/04/948126504.db2.gz TZELMEIJQDBLHE-HUUCEWRRSA-N 1 0 384.488 1.221 20 0 GDADRO Cn1cc(CN2CC[NH+](CCCCO)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360986 948127372 /nfs/dbraw/zinc/12/73/72/948127372.db2.gz FXDCVBYQIBSJGE-UHFFFAOYSA-N 1 0 396.499 1.157 20 0 GDADRO Cn1cc(C[NH2+]C[C@H](O)COCC2CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361246 948129588 /nfs/dbraw/zinc/12/95/88/948129588.db2.gz QPXVLQJXWVSLNW-KRWDZBQOSA-N 1 0 383.456 1.144 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC001573681012 948193150 /nfs/dbraw/zinc/19/31/50/948193150.db2.gz RPWIDPLBZSMTIY-DOMZBBRYSA-N 1 0 386.481 1.299 20 0 GDADRO CC(=O)N1CC[C@H](C(F)(F)F)[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573434284 948213181 /nfs/dbraw/zinc/21/31/81/948213181.db2.gz PQKLQMSWASPEEB-YPMHNXCESA-N 1 0 383.378 1.451 20 0 GDADRO CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001573438447 948235962 /nfs/dbraw/zinc/23/59/62/948235962.db2.gz AQKAFYXKHGHXBM-MSOLQXFVSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)c1cnn(C)c1 ZINC001573692260 948257986 /nfs/dbraw/zinc/25/79/86/948257986.db2.gz NPYVSDGMSOETGF-LLVKDONJSA-N 1 0 386.485 1.204 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[nH]n2)cn1 ZINC000826443183 948303963 /nfs/dbraw/zinc/30/39/63/948303963.db2.gz DRJFFNUWEFWDAF-QGZVFWFLSA-N 1 0 393.451 1.148 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[nH]n2)nc1 ZINC000826443295 948306865 /nfs/dbraw/zinc/30/68/65/948306865.db2.gz JNOIZDRPUFGQLL-QGZVFWFLSA-N 1 0 393.451 1.148 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573704384 948372893 /nfs/dbraw/zinc/37/28/93/948372893.db2.gz RJYUPPFKWVQRLT-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO O=C1[C@H]([N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477154 948387236 /nfs/dbraw/zinc/38/72/36/948387236.db2.gz WPYCOTCXBURLSP-LZLYRXPVSA-N 1 0 382.468 1.721 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573705214 948392832 /nfs/dbraw/zinc/39/28/32/948392832.db2.gz GNCWKICTVLZPQS-GJZGRUSLSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@H](C(=O)NCC=CCNc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCCC1 ZINC001573705395 948400606 /nfs/dbraw/zinc/40/06/06/948400606.db2.gz FLDJFGUFFDSUNC-ISZGNANSSA-N 1 0 385.476 1.006 20 0 GDADRO C[C@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573714989 948480536 /nfs/dbraw/zinc/48/05/36/948480536.db2.gz MMTSQUZJEJMOSM-CABCVRRESA-N 1 0 380.456 1.657 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cccnc1 ZINC001573715097 948482657 /nfs/dbraw/zinc/48/26/57/948482657.db2.gz OKBJJFJOMSPPRU-ZDUSSCGKSA-N 1 0 383.431 1.753 20 0 GDADRO C[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cnn(C)c1 ZINC001573718921 948521534 /nfs/dbraw/zinc/52/15/34/948521534.db2.gz UXOGNMQAZUBYBA-NWDGAFQWSA-N 1 0 388.501 1.450 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCCO1 ZINC001573726373 948549631 /nfs/dbraw/zinc/54/96/31/948549631.db2.gz IUKDWIDRTYRWNW-WCZJQEMASA-N 1 0 384.484 1.666 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)c1c(F)cccc1F ZINC001573732120 948599655 /nfs/dbraw/zinc/59/96/55/948599655.db2.gz LITCMVAPDLJJDH-WDEREUQCSA-N 1 0 387.394 1.682 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)(F)F ZINC001573746461 948682466 /nfs/dbraw/zinc/68/24/66/948682466.db2.gz KBMNDMZOBYVGFU-FXAINCCUSA-N 1 0 386.353 1.941 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573748320 948695033 /nfs/dbraw/zinc/69/50/33/948695033.db2.gz RUGGVKPQCBYTDB-JHJVBQTASA-N 1 0 386.485 1.370 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@H]1CCCO1 ZINC001573751552 948703918 /nfs/dbraw/zinc/70/39/18/948703918.db2.gz BKDNKBDZIHMELL-BNGXUDDSSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@H](CNC(=O)CCc1cccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574914647 948755870 /nfs/dbraw/zinc/75/58/70/948755870.db2.gz LSHAARNXGPERRF-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@H](CNC(=O)CCc1cnccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574916553 948778603 /nfs/dbraw/zinc/77/86/03/948778603.db2.gz DHCXPUWFQPRHNM-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574916558 948778822 /nfs/dbraw/zinc/77/88/22/948778822.db2.gz DHKUKDDHDZMFRK-LBPRGKRZSA-N 1 0 386.485 1.288 20 0 GDADRO CC(C)c1ccccc1C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574420237 948796654 /nfs/dbraw/zinc/79/66/54/948796654.db2.gz RMEPDGSJPLPYNS-ZDUSSCGKSA-N 1 0 381.440 1.010 20 0 GDADRO C[C@@H](CNC(=O)CCCc1ccccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574917764 948822252 /nfs/dbraw/zinc/82/22/52/948822252.db2.gz AXINRSGBPGAFMH-HNNXBMFYSA-N 1 0 379.468 1.879 20 0 GDADRO CC(C)(C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573764662 948892637 /nfs/dbraw/zinc/89/26/37/948892637.db2.gz PRNKLDUKLFDZKY-SNVBAGLBSA-N 1 0 383.378 1.675 20 0 GDADRO C[C@H](CCNc1nc(Cl)c(-c2nn[nH]n2)s1)NC(=O)CCC[NH+](C)C ZINC001574685192 948904383 /nfs/dbraw/zinc/90/43/83/948904383.db2.gz SGKDYUHODGREJN-SECBINFHSA-N 1 0 386.913 1.625 20 0 GDADRO C[C@@H](CNC(=O)CCc1cscn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574921354 948920069 /nfs/dbraw/zinc/92/00/69/948920069.db2.gz VIXXQBWGCYEOKL-NSHDSACASA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)(C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)C(F)F ZINC001573765878 948926476 /nfs/dbraw/zinc/92/64/76/948926476.db2.gz OVDZBLUSWFIGFL-PHIMTYICSA-N 1 0 377.399 1.448 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574686397 948935339 /nfs/dbraw/zinc/93/53/39/948935339.db2.gz HWYPKRYSKDOFHM-TZMCWYRMSA-N 1 0 390.467 1.582 20 0 GDADRO CC(F)(F)CCC(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575237003 948940292 /nfs/dbraw/zinc/94/02/92/948940292.db2.gz CQJJYRBTIVHXRD-GFCCVEGCSA-N 1 0 386.378 1.008 20 0 GDADRO CC(C)[C@@H]1C[C@@H](C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCO1 ZINC001574091383 949012582 /nfs/dbraw/zinc/01/25/82/949012582.db2.gz KUIORKVGLSBPBX-BBRMVZONSA-N 1 0 385.472 1.196 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC001573775010 949028266 /nfs/dbraw/zinc/02/82/66/949028266.db2.gz RQBXDKQEYWKCHP-MRVPVSSYSA-N 1 0 392.407 1.083 20 0 GDADRO C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575246536 949032876 /nfs/dbraw/zinc/03/28/76/949032876.db2.gz GWOOLURSKBFWCO-OLZOCXBDSA-N 1 0 387.488 1.012 20 0 GDADRO CC(C)[C@@H]1C[C@H]1C(=O)NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574091927 949038724 /nfs/dbraw/zinc/03/87/24/949038724.db2.gz PXBDCXXHQSHSFZ-UONOGXRCSA-N 1 0 385.472 1.001 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1 ZINC001573775548 949043055 /nfs/dbraw/zinc/04/30/55/949043055.db2.gz YTMOPOGFQKCGSY-CQSZACIVSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574929054 949073237 /nfs/dbraw/zinc/07/32/37/949073237.db2.gz WYDQQAMGBAIDPC-ZDUSSCGKSA-N 1 0 387.488 1.013 20 0 GDADRO CC(C)c1nocc1C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574441886 949083737 /nfs/dbraw/zinc/08/37/37/949083737.db2.gz DOTDPRBSDCLYPJ-GFCCVEGCSA-N 1 0 382.428 1.369 20 0 GDADRO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574093186 949093442 /nfs/dbraw/zinc/09/34/42/949093442.db2.gz UXXVWNHPNJVAIW-DZGGMBSHSA-N 1 0 384.459 1.844 20 0 GDADRO CC(C)c1nocc1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574442353 949095869 /nfs/dbraw/zinc/09/58/69/949095869.db2.gz MOWROLALMAEFAG-UHFFFAOYSA-N 1 0 387.419 1.979 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574931079 949114518 /nfs/dbraw/zinc/11/45/18/949114518.db2.gz NFWIKBXLFMIXMC-CYBMUJFWSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001574093654 949114754 /nfs/dbraw/zinc/11/47/54/949114754.db2.gz XEWLWZZFAWVFDW-JLOCXQCDSA-N 1 0 384.459 1.844 20 0 GDADRO C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575250819 949117992 /nfs/dbraw/zinc/11/79/92/949117992.db2.gz HRMSWARKGYHXSC-NXEZZACHSA-N 1 0 383.378 1.721 20 0 GDADRO C[C@H](NC(=O)C(F)F)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575251054 949127230 /nfs/dbraw/zinc/12/72/30/949127230.db2.gz KPDWMAPVHFDZSG-JQWIXIFHSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001574094483 949140975 /nfs/dbraw/zinc/14/09/75/949140975.db2.gz WKCKKAXCYUQJFF-HZPDHXFCSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H](CNC(=O)COc1cccnc1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574934496 949164413 /nfs/dbraw/zinc/16/44/13/949164413.db2.gz JNVRVOKTALKWTJ-AWEZNQCLSA-N 1 0 381.440 1.277 20 0 GDADRO CC(C)c1oncc1C(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574448215 949182243 /nfs/dbraw/zinc/18/22/43/949182243.db2.gz GJMOQSTUBQPDSO-XHDPSFHLSA-N 1 0 382.428 1.368 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574935038 949190531 /nfs/dbraw/zinc/19/05/31/949190531.db2.gz XQZZEXQKWDKAOM-CYBMUJFWSA-N 1 0 386.481 1.944 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574698498 949194928 /nfs/dbraw/zinc/19/49/28/949194928.db2.gz LTEIAJSYTKSCBK-KGLIPLIRSA-N 1 0 381.440 1.410 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)n1cccn1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575254375 949201274 /nfs/dbraw/zinc/20/12/74/949201274.db2.gz VSSULFJEMJMOHJ-ZIAGYGMSSA-N 1 0 380.456 1.261 20 0 GDADRO CC(C)c1oncc1C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574450256 949208912 /nfs/dbraw/zinc/20/89/12/949208912.db2.gz XSAONFYWDKPLHN-UHFFFAOYSA-N 1 0 382.428 1.512 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001575254713 949209136 /nfs/dbraw/zinc/20/91/36/949209136.db2.gz WYVXJWSFTVWYAA-UONOGXRCSA-N 1 0 380.456 1.261 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575516707 949217049 /nfs/dbraw/zinc/21/70/49/949217049.db2.gz QYKXEVBKPZLJSV-STQMWFEESA-N 1 0 381.444 1.282 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575255319 949224532 /nfs/dbraw/zinc/22/45/32/949224532.db2.gz ZEIJDOZPUXBWJV-UONOGXRCSA-N 1 0 386.504 1.831 20 0 GDADRO CC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573794178 949312094 /nfs/dbraw/zinc/31/20/94/949312094.db2.gz BTQVLCZUCLHJTF-ZDUSSCGKSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccc(F)c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574941926 949326311 /nfs/dbraw/zinc/32/63/11/949326311.db2.gz VCAUVBYPEFWHPB-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574109820 949332122 /nfs/dbraw/zinc/33/21/22/949332122.db2.gz DOYAFJWKAHQACR-CXAGYDPISA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574459356 949351450 /nfs/dbraw/zinc/35/14/50/949351450.db2.gz BTGXKNURKKAGTP-AWEZNQCLSA-N 1 0 383.460 1.367 20 0 GDADRO C[C@H](c1ncccn1)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575525945 949356681 /nfs/dbraw/zinc/35/66/81/949356681.db2.gz ZUFJNKKJQXXMJS-MGPQQGTHSA-N 1 0 395.471 1.434 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001575262451 949373083 /nfs/dbraw/zinc/37/30/83/949373083.db2.gz AMGGUZHBDNSAPF-KGLIPLIRSA-N 1 0 386.504 1.687 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704191 949376515 /nfs/dbraw/zinc/37/65/15/949376515.db2.gz APCKLYZKEQYFIU-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO CC1(C)CN(C(=O)[C@]2(C)CCOC2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575527828 949380571 /nfs/dbraw/zinc/38/05/71/949380571.db2.gz HZQYIXNPUVOTQY-OXJNMPFZSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575533360 949415260 /nfs/dbraw/zinc/41/52/60/949415260.db2.gz HAZQEFNDWDDMSK-MGPUTAFESA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC001575867732 949443507 /nfs/dbraw/zinc/44/35/07/949443507.db2.gz JXBVFZYEFGJWNO-WDEREUQCSA-N 1 0 376.486 1.448 20 0 GDADRO C[C@@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC001575867728 949444989 /nfs/dbraw/zinc/44/49/89/949444989.db2.gz JXBVFZYEFGJWNO-MNOVXSKESA-N 1 0 376.486 1.448 20 0 GDADRO C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575265698 949452456 /nfs/dbraw/zinc/45/24/56/949452456.db2.gz ADNKFFMFLXEIDM-NXEZZACHSA-N 1 0 383.378 1.721 20 0 GDADRO C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575266026 949468170 /nfs/dbraw/zinc/46/81/70/949468170.db2.gz WTTRRHLPEJOXJJ-QWHCGFSZSA-N 1 0 392.529 1.806 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574469787 949482685 /nfs/dbraw/zinc/48/26/85/949482685.db2.gz HAXSSUYDCHECIH-VQFNDLOPSA-N 1 0 392.467 1.504 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574708192 949485594 /nfs/dbraw/zinc/48/55/94/949485594.db2.gz SSEDFLVHHKEFFG-RISCZKNCSA-N 1 0 376.440 1.144 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCCOC1 ZINC001575537433 949492977 /nfs/dbraw/zinc/49/29/77/949492977.db2.gz UUTGWSFFNODLCY-BEFAXECRSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]1CCCC[C@@]1(CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cnco1 ZINC001576158515 949502087 /nfs/dbraw/zinc/50/20/87/949502087.db2.gz TXMJPAOOTNCTOT-SGTLLEGYSA-N 1 0 382.428 1.462 20 0 GDADRO C[C@@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711106 949520272 /nfs/dbraw/zinc/52/02/72/949520272.db2.gz DENHVJOBUIBXMD-ZDUSSCGKSA-N 1 0 377.452 1.357 20 0 GDADRO C[C@@H](NC(=O)C[C@@H]1CCCOC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575268759 949525869 /nfs/dbraw/zinc/52/58/69/949525869.db2.gz ORVDTTAKZSBBNO-ZBFHGGJFSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575538866 949533758 /nfs/dbraw/zinc/53/37/58/949533758.db2.gz KBBRWRBOHFRGRA-AUUYWEPGSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](NC(=O)C[C@H]1CCCCO1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269868 949566459 /nfs/dbraw/zinc/56/64/59/949566459.db2.gz XESYNQUJROMFOU-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)C[C@@H](C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)n1ccnc1 ZINC001574124430 949571013 /nfs/dbraw/zinc/57/10/13/949571013.db2.gz HTLFYIMGYMSVKH-CJNGLKHVSA-N 1 0 383.460 1.084 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574955786 949573535 /nfs/dbraw/zinc/57/35/35/949573535.db2.gz DZZCNHHENNMBFC-VJOKWTCDSA-N 1 0 386.431 1.024 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574712244 949576154 /nfs/dbraw/zinc/57/61/54/949576154.db2.gz QYDLHQAFAKKAOL-KSSFIOAISA-N 1 0 391.479 1.613 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCOC1 ZINC001573811019 949585296 /nfs/dbraw/zinc/58/52/96/949585296.db2.gz GRMORNGOLWUJAY-XJKSGUPXSA-N 1 0 390.463 1.663 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574956781 949589121 /nfs/dbraw/zinc/58/91/21/949589121.db2.gz NKAGBTAYKXHZPZ-HOSYDEDBSA-N 1 0 378.868 1.172 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1CCOCC1 ZINC001573811301 949595737 /nfs/dbraw/zinc/59/57/37/949595737.db2.gz JOQGEQKIUZBGHN-OAHLLOKOSA-N 1 0 392.529 1.975 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cocn1 ZINC001573811623 949604315 /nfs/dbraw/zinc/60/43/15/949604315.db2.gz MLFITTWJVYITRC-OAHLLOKOSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@]1(F)CCOC1 ZINC001573811859 949608072 /nfs/dbraw/zinc/60/80/72/949608072.db2.gz OPGFROQDBZOZGQ-DNVCBOLYSA-N 1 0 390.463 1.616 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1n[nH]cc1F ZINC001573811835 949610250 /nfs/dbraw/zinc/61/02/50/949610250.db2.gz OAQSWRHUDQZJIH-GFCCVEGCSA-N 1 0 392.464 1.725 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCOC1 ZINC001573812149 949613302 /nfs/dbraw/zinc/61/33/02/949613302.db2.gz QIRHKUUFKOPBMY-WMLDXEAASA-N 1 0 386.500 1.914 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCCOC1 ZINC001575546893 949619336 /nfs/dbraw/zinc/61/93/36/949619336.db2.gz SSJZVEKTAAJAMY-XLIONFOSSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@]1(C(=O)N2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575547219 949622256 /nfs/dbraw/zinc/62/22/56/949622256.db2.gz WDANSLAPUZKYCC-FQEVSTJZSA-N 1 0 384.484 1.718 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575875149 949626947 /nfs/dbraw/zinc/62/69/47/949626947.db2.gz HKGWPFLIKWWEGL-KSSFIOAISA-N 1 0 379.468 1.907 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575271839 949628546 /nfs/dbraw/zinc/62/85/46/949628546.db2.gz MVDVISCEWAWJEX-CABCVRRESA-N 1 0 386.504 1.325 20 0 GDADRO C[C@@H](CC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cccn1 ZINC001574476953 949628685 /nfs/dbraw/zinc/62/86/85/949628685.db2.gz MJTBQZPLJSOFEF-AWEZNQCLSA-N 1 0 383.460 1.394 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574957786 949632734 /nfs/dbraw/zinc/63/27/34/949632734.db2.gz IKRKFSYYRQZBMZ-PLNCSYRRSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575880534 949704814 /nfs/dbraw/zinc/70/48/14/949704814.db2.gz UFRXOIOPTJAIJN-HNAYVOBHSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C[NH2+]Cc1ccccn1 ZINC001576170265 949711894 /nfs/dbraw/zinc/71/18/94/949711894.db2.gz JTHBRDNMOIBZKL-SUMWQHHRSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575881784 949733047 /nfs/dbraw/zinc/73/30/47/949733047.db2.gz AWVKFXPTQFRBOK-BBRMVZONSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCCO1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574717474 949735483 /nfs/dbraw/zinc/73/54/83/949735483.db2.gz WAHBLAHYJWFWDN-WFASDCNBSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H](C)n1cccn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574717789 949748465 /nfs/dbraw/zinc/74/84/65/949748465.db2.gz XMEZAIOJWOGODQ-HUUCEWRRSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C2CC2)CCOC1 ZINC001575559258 949750756 /nfs/dbraw/zinc/75/07/56/949750756.db2.gz VWHIISFEVWKQEE-APWZRJJASA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882871 949792720 /nfs/dbraw/zinc/79/27/20/949792720.db2.gz ORIUZKWUAIDZOL-RISCZKNCSA-N 1 0 387.469 1.628 20 0 GDADRO C[C@@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575560533 949794133 /nfs/dbraw/zinc/79/41/33/949794133.db2.gz RINPHZKZGSWQOM-SVGDTCPJSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C[NH2+]Cc1ccns1 ZINC001576172350 949799177 /nfs/dbraw/zinc/79/91/77/949799177.db2.gz WKRFUSBJUDIZFQ-NHYWBVRUSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574965572 949800282 /nfs/dbraw/zinc/80/02/82/949800282.db2.gz HBUBOXDFYQJSLZ-MOFZMDFASA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccn(C)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574721157 949810779 /nfs/dbraw/zinc/81/07/79/949810779.db2.gz JVOJJNBVHBVDJK-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574966501 949847422 /nfs/dbraw/zinc/84/74/22/949847422.db2.gz ZTYDCXCWBMWYKR-FXHACXQTSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575886169 949874338 /nfs/dbraw/zinc/87/43/38/949874338.db2.gz XILFFVVXDIRCMB-TZHJVIJJSA-N 1 0 388.497 1.290 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ncccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574724918 949881116 /nfs/dbraw/zinc/88/11/16/949881116.db2.gz MBFXTWHOJNPYAE-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H](CNC(=O)c1c(F)cncc1F)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574968201 949895443 /nfs/dbraw/zinc/89/54/43/949895443.db2.gz NIGBYNRWCIYGCA-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575284118 949896062 /nfs/dbraw/zinc/89/60/62/949896062.db2.gz HRZQLUKKFIAQDR-RKDXNWHRSA-N 1 0 384.897 1.378 20 0 GDADRO C[C@@H](CN(C)C(=O)COc1ccccc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574725680 949908266 /nfs/dbraw/zinc/90/82/66/949908266.db2.gz ALPBYWMEZVCPKF-HNNXBMFYSA-N 1 0 380.452 1.882 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001575285309 949943065 /nfs/dbraw/zinc/94/30/65/949943065.db2.gz MTLOHAMHSUFQAX-BDAKNGLRSA-N 1 0 386.913 1.622 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC001575285302 949943503 /nfs/dbraw/zinc/94/35/03/949943503.db2.gz MOLQBRQXMWDVDE-KGLIPLIRSA-N 1 0 380.456 1.125 20 0 GDADRO CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCOCC1 ZINC001574146564 949944579 /nfs/dbraw/zinc/94/45/79/949944579.db2.gz ZRENHEZOIQSWDL-CQSZACIVSA-N 1 0 389.504 1.746 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC001575891020 949980884 /nfs/dbraw/zinc/98/08/84/949980884.db2.gz CSPXERIMANFPJP-JQWIXIFHSA-N 1 0 379.415 1.823 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1cccnc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574728736 950005281 /nfs/dbraw/zinc/00/52/81/950005281.db2.gz IONKTFMVUSUORO-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO CC1(C)C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575574518 950019719 /nfs/dbraw/zinc/01/97/19/950019719.db2.gz VUTLJEUDDJWXKC-JXFKEZNVSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001574491167 950025533 /nfs/dbraw/zinc/02/55/33/950025533.db2.gz AIQKWJQZGRMOPO-CYBMUJFWSA-N 1 0 381.444 1.195 20 0 GDADRO C[C@@]1(C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCCC2)CCOC1 ZINC001575575109 950039833 /nfs/dbraw/zinc/03/98/33/950039833.db2.gz DXSVNESXDMKZRC-LJQANCHMSA-N 1 0 384.484 1.812 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2cccn2C)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575892128 950051696 /nfs/dbraw/zinc/05/16/96/950051696.db2.gz RXOABXJHOCZPCV-YOEHRIQHSA-N 1 0 379.468 1.988 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC001574975957 950055396 /nfs/dbraw/zinc/05/53/96/950055396.db2.gz LBAGKWXZDLTPDR-ZDUSSCGKSA-N 1 0 382.472 1.511 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1csnn1 ZINC001574151514 950078543 /nfs/dbraw/zinc/07/85/43/950078543.db2.gz UGPOWWXHQMMHPK-AWEZNQCLSA-N 1 0 386.485 1.653 20 0 GDADRO CC(C)(C)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573836255 950079781 /nfs/dbraw/zinc/07/97/81/950079781.db2.gz IGYRKNDHMNHTMM-KRWDZBQOSA-N 1 0 378.502 1.417 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1n[nH]cc1F ZINC001574151549 950083571 /nfs/dbraw/zinc/08/35/71/950083571.db2.gz UVYUWBIGPHCXRL-SNVBAGLBSA-N 1 0 392.464 1.725 20 0 GDADRO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574152429 950104147 /nfs/dbraw/zinc/10/41/47/950104147.db2.gz CAIKBZLBMWTARK-RDJZCZTQSA-N 1 0 388.520 1.791 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cn(C)cn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575894700 950105628 /nfs/dbraw/zinc/10/56/28/950105628.db2.gz FZQBIXABAXRFIO-CZUORRHYSA-N 1 0 380.456 1.383 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ncccn1 ZINC001574152568 950112701 /nfs/dbraw/zinc/11/27/01/950112701.db2.gz GJDUOPJMHMXOBW-OAHLLOKOSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574733459 950113803 /nfs/dbraw/zinc/11/38/03/950113803.db2.gz BQWDXVKUYKBKRX-IYDIDCQVSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cc(F)ccc1Cl ZINC001574977593 950123011 /nfs/dbraw/zinc/12/30/11/950123011.db2.gz MBIVVPBLCFFUJK-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOC1 ZINC001574153053 950125071 /nfs/dbraw/zinc/12/50/71/950125071.db2.gz MDHBCCIBYFSXPL-IAGOWNOFSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574734259 950132908 /nfs/dbraw/zinc/13/29/08/950132908.db2.gz LLIVQJTYIZHLRB-XDKFSHSGSA-N 1 0 384.484 1.618 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cn1ccnc1 ZINC001574153258 950135290 /nfs/dbraw/zinc/13/52/90/950135290.db2.gz QMVQKUGODWQKRG-KRWDZBQOSA-N 1 0 382.472 1.384 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001574978631 950136982 /nfs/dbraw/zinc/13/69/82/950136982.db2.gz TUSLGSNVAAOZQM-VFZGTOFNSA-N 1 0 387.394 1.868 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]cn1 ZINC001574153309 950140828 /nfs/dbraw/zinc/14/08/28/950140828.db2.gz RGJPUROOTWBVNZ-MRXNPFEDSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575897683 950144568 /nfs/dbraw/zinc/14/45/68/950144568.db2.gz QBGCEPFIOCPECT-CXAGYDPISA-N 1 0 380.456 1.383 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cc(O)ccc1Cl ZINC001574979314 950152643 /nfs/dbraw/zinc/15/26/43/950152643.db2.gz XQEBOFQKWHNLBI-VIFPVBQESA-N 1 0 375.820 1.462 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2ccnnc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575898225 950152849 /nfs/dbraw/zinc/15/28/49/950152849.db2.gz RXSIFLDBERNCII-GUYCJALGSA-N 1 0 378.440 1.440 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@H](C)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574738014 950163138 /nfs/dbraw/zinc/16/31/38/950163138.db2.gz AZGFBLSLSIFXDX-CYBMUJFWSA-N 1 0 382.472 1.964 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C[NH2+]Cc1ccccn1 ZINC001576190668 950168926 /nfs/dbraw/zinc/16/89/26/950168926.db2.gz CTHWYLZFJADFQC-HIFRSBDPSA-N 1 0 380.456 1.478 20 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C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575588009 950243736 /nfs/dbraw/zinc/24/37/36/950243736.db2.gz PDGSTWURHZPYTK-UGSOOPFHSA-N 1 0 390.513 1.683 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(F)(F)F ZINC001574498140 950260254 /nfs/dbraw/zinc/26/02/54/950260254.db2.gz KKIKVIYXZPVESM-JQWIXIFHSA-N 1 0 386.378 1.022 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cccc(=O)[nH]1 ZINC001574157965 950262165 /nfs/dbraw/zinc/26/21/65/950262165.db2.gz LZMVBXWSRCCQFB-GFCCVEGCSA-N 1 0 382.428 1.041 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574984234 950263561 /nfs/dbraw/zinc/26/35/61/950263561.db2.gz WUBCHZFFSYXBMW-SNVBAGLBSA-N 1 0 388.501 1.857 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H](C)n1cccc1 ZINC001574158040 950266353 /nfs/dbraw/zinc/26/63/53/950266353.db2.gz NDIGEAIXLZGZGP-LSDHHAIUSA-N 1 0 382.472 1.689 20 0 GDADRO 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CC(C)C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574159717 950317747 /nfs/dbraw/zinc/31/77/47/950317747.db2.gz YHDKURXZDNRAID-CJNGLKHVSA-N 1 0 389.508 1.186 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1ccoc1 ZINC001575906599 950317868 /nfs/dbraw/zinc/31/78/68/950317868.db2.gz JPDNPYAMUCGLLQ-PXAZEXFGSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575906883 950321428 /nfs/dbraw/zinc/32/14/28/950321428.db2.gz KILNMOIVEIHTOL-ZWNOBZJWSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1nccs1 ZINC001575906957 950323776 /nfs/dbraw/zinc/32/37/76/950323776.db2.gz LDOABXCCAYDDPD-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@]1(C(=O)NCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C2CC2)CCOC1 ZINC001575594006 950326077 /nfs/dbraw/zinc/32/60/77/950326077.db2.gz RAZGLQKZFISQKR-IBGZPJMESA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](CC(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574501425 950333549 /nfs/dbraw/zinc/33/35/49/950333549.db2.gz DAPFCNLJZGPQOQ-FAAWYNLUSA-N 1 0 380.456 1.477 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(CO)([NH2+]Cc2cncc(-c3nn[nH]n3)c2)CC1 ZINC001573854278 950342298 /nfs/dbraw/zinc/34/22/98/950342298.db2.gz YTVWHWHJXREBMA-UHFFFAOYSA-N 1 0 389.460 1.113 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccccn1 ZINC001575907818 950347238 /nfs/dbraw/zinc/34/72/38/950347238.db2.gz RESZFQAUFBRHIR-MLGOLLRUSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1nccs1 ZINC001575908007 950350841 /nfs/dbraw/zinc/35/08/41/950350841.db2.gz SMJWPMSMGNUQQC-YGRLFVJLSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cnsn1 ZINC001575908600 950375012 /nfs/dbraw/zinc/37/50/12/950375012.db2.gz VPTHKFNMBWXHKV-PSASIEDQSA-N 1 0 376.471 1.173 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cnn2cc[nH]c12 ZINC001575909515 950401156 /nfs/dbraw/zinc/40/11/56/950401156.db2.gz HARDMBIWQPPVNT-BLLLJJGKSA-N 1 0 391.439 1.235 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCC[C@H]2CNc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001576198451 950408414 /nfs/dbraw/zinc/40/84/14/950408414.db2.gz SXPYCBBSHAPTTF-INIZCTEOSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H]1C[C@H](Nc2ncccc2-c2nn[nH]n2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198880 950414100 /nfs/dbraw/zinc/41/41/00/950414100.db2.gz WHDHKLNLTHCVFJ-CABCVRRESA-N 1 0 384.488 1.395 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575597693 950419112 /nfs/dbraw/zinc/41/91/12/950419112.db2.gz VPNMPGUGMGOWSR-ODYMNIRHSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H]1[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575910465 950420528 /nfs/dbraw/zinc/42/05/28/950420528.db2.gz LBUHOBCZAIFQRY-GOEBONIOSA-N 1 0 384.488 1.539 20 0 GDADRO 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/nfs/dbraw/zinc/51/74/97/950517497.db2.gz RDLZSOFWHAHOMD-SPYBWZPUSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575608642 950518642 /nfs/dbraw/zinc/51/86/42/950518642.db2.gz PQPXYETVESFTQE-KNBMTAEXSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCC2(Nc3cccc(F)c3-c3nn[nH]n3)CCC2)C1 ZINC001576205652 950530352 /nfs/dbraw/zinc/53/03/52/950530352.db2.gz LSVOGVWHFLBADN-ZDUSSCGKSA-N 1 0 387.463 1.798 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574509806 950532566 /nfs/dbraw/zinc/53/25/66/950532566.db2.gz YANNCWFINLDVML-STQMWFEESA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001574754424 950573539 /nfs/dbraw/zinc/57/35/39/950573539.db2.gz LISMKALXCVEXLD-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H]1[C@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575917590 950581353 /nfs/dbraw/zinc/58/13/53/950581353.db2.gz ZJHWPQOLTJNAAQ-GOEBONIOSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ncccc3-c3nn[nH]n3)C2)C1 ZINC001576207371 950596371 /nfs/dbraw/zinc/59/63/71/950596371.db2.gz FZTSVZWBZSSIOO-QLFBSQMISA-N 1 0 384.488 1.300 20 0 GDADRO CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575617274 950600356 /nfs/dbraw/zinc/60/03/56/950600356.db2.gz ZHAJWKYDHSZIHE-CQSZACIVSA-N 1 0 386.500 1.506 20 0 GDADRO CC(C)(C)OCC(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001573870599 950602247 /nfs/dbraw/zinc/60/22/47/950602247.db2.gz JXIJZQMTKLUNPV-UHFFFAOYSA-N 1 0 376.436 1.559 20 0 GDADRO CC(C)CCC(=O)NC1(CO)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001574173888 950607772 /nfs/dbraw/zinc/60/77/72/950607772.db2.gz AMLRZXHJDKDRDU-UHFFFAOYSA-N 1 0 386.500 1.746 20 0 GDADRO CC(C)CCC(=O)N1CCO[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574173843 950608827 /nfs/dbraw/zinc/60/88/27/950608827.db2.gz NZZCDGPPFFZJAE-MRXNPFEDSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574513728 950613811 /nfs/dbraw/zinc/61/38/11/950613811.db2.gz WZUFBXBWRWPXNW-UONOGXRCSA-N 1 0 382.472 1.388 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575000864 950617659 /nfs/dbraw/zinc/61/76/59/950617659.db2.gz HJPJCUPZYIQABN-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@H](C)n1cccn1 ZINC001574513803 950617873 /nfs/dbraw/zinc/61/78/73/950617873.db2.gz ZZRBTQZFWNAXEZ-OLZOCXBDSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575002324 950659195 /nfs/dbraw/zinc/65/91/95/950659195.db2.gz SCSNHFOXYAXVHO-LLVKDONJSA-N 1 0 383.431 1.731 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccns1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574760559 950666947 /nfs/dbraw/zinc/66/69/47/950666947.db2.gz JHMVRUSJAKLYRX-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO CC(C)CCC(=O)NCC[NH+]1CCC(Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001574178831 950687608 /nfs/dbraw/zinc/68/76/08/950687608.db2.gz AORINXJCTIPIKN-UHFFFAOYSA-N 1 0 386.504 1.690 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCCO1 ZINC001574519971 950709715 /nfs/dbraw/zinc/70/97/15/950709715.db2.gz YWXJBDYSVSPXQX-ZSGPHXLJSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574763450 950713267 /nfs/dbraw/zinc/71/32/67/950713267.db2.gz BCRZICOWFDHAOC-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575927723 950750617 /nfs/dbraw/zinc/75/06/17/950750617.db2.gz SWRSPXRDADIROK-MFKMUULPSA-N 1 0 380.412 1.264 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575927711 950750895 /nfs/dbraw/zinc/75/08/95/950750895.db2.gz SLODXOHQCBSRTM-MLGOLLRUSA-N 1 0 381.415 1.467 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1cscn1 ZINC001575927856 950760193 /nfs/dbraw/zinc/76/01/93/950760193.db2.gz VHMBBJMHEXUHSS-SMDDNHRTSA-N 1 0 384.469 1.174 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cnn(C)c1 ZINC001574521322 950775690 /nfs/dbraw/zinc/77/56/90/950775690.db2.gz FKNZHRJWHCPISV-UONOGXRCSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574765207 950777524 /nfs/dbraw/zinc/77/75/24/950777524.db2.gz GOVKHEYWFRSUKH-QMMMGPOBSA-N 1 0 378.849 1.366 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccc[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574521505 950778821 /nfs/dbraw/zinc/77/88/21/950778821.db2.gz GKFCVTPGQKJEHC-OLZOCXBDSA-N 1 0 385.447 1.950 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccon1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574521399 950779755 /nfs/dbraw/zinc/77/97/55/950779755.db2.gz FWXNKSQDTRDCIL-NEPJUHHUSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C1CCOCC1 ZINC001574521464 950780003 /nfs/dbraw/zinc/78/00/03/950780003.db2.gz GHDKVISDHJKAFR-CHWSQXEVSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1CCOCC1 ZINC001574523154 950808384 /nfs/dbraw/zinc/80/83/84/950808384.db2.gz MKEGDEDFDBXRPQ-STQMWFEESA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccon1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574523688 950823745 /nfs/dbraw/zinc/82/37/45/950823745.db2.gz PHZDPDHOPZIUFJ-NEPJUHHUSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1cc[nH]n1 ZINC001574524106 950844758 /nfs/dbraw/zinc/84/47/58/950844758.db2.gz TVQIXLNOWSZDPO-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCc1ccon1 ZINC001574524153 950848560 /nfs/dbraw/zinc/84/85/60/950848560.db2.gz UCRYOVWJEXYUFT-ZIAGYGMSSA-N 1 0 383.456 1.860 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1=COCCO1 ZINC001574524306 950853571 /nfs/dbraw/zinc/85/35/71/950853571.db2.gz VGPURKUZRGWYGJ-RYUDHWBXSA-N 1 0 390.419 1.267 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCC[C@@](CO)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001575639277 950862380 /nfs/dbraw/zinc/86/23/80/950862380.db2.gz QHLYSYSTCCXKLP-LJQANCHMSA-N 1 0 387.488 1.188 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cncn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574524481 950862270 /nfs/dbraw/zinc/86/22/70/950862270.db2.gz XABQLUAZMCQNRQ-KGLIPLIRSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cncn1C ZINC001574524499 950863246 /nfs/dbraw/zinc/86/32/46/950863246.db2.gz XKGJURKMUSVXKU-VXGBXAGGSA-N 1 0 388.501 1.277 20 0 GDADRO C[C@H](C[N@H+](C)C[C@H](O)c1ccccc1F)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767743 950864624 /nfs/dbraw/zinc/86/46/24/950864624.db2.gz QBNPYRVQDSWZGG-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576222203 950866974 /nfs/dbraw/zinc/86/69/74/950866974.db2.gz XURGPGLJPNSDAG-CABZTGNLSA-N 1 0 381.362 1.285 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCCO1 ZINC001574771338 950914392 /nfs/dbraw/zinc/91/43/92/950914392.db2.gz BPWOKUFDKVLJFJ-LRDDRELGSA-N 1 0 376.436 1.511 20 0 GDADRO CC(C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001574190613 950915560 /nfs/dbraw/zinc/91/55/60/950915560.db2.gz ZGZGFEDRVXNWKJ-HUUCEWRRSA-N 1 0 392.529 1.806 20 0 GDADRO CC(C)[C@H](C(=O)N[C@@H](C)CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001574771619 950933332 /nfs/dbraw/zinc/93/33/32/950933332.db2.gz HPLGKDNUWSGTIN-SUMWQHHRSA-N 1 0 391.495 1.529 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccn(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574529416 950949761 /nfs/dbraw/zinc/94/97/61/950949761.db2.gz QRMFKLPELJNZHY-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771982 950950557 /nfs/dbraw/zinc/95/05/57/950950557.db2.gz OBSJFGQXSYMZAL-CQSZACIVSA-N 1 0 389.504 1.984 20 0 GDADRO CC1(C)C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001575642625 950951536 /nfs/dbraw/zinc/95/15/36/950951536.db2.gz VXTBSMLXRHPTCL-ZFWWWQNUSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1nn(C)cc1Cl ZINC001574529851 950963479 /nfs/dbraw/zinc/96/34/79/950963479.db2.gz AQODNUJPBCGPKR-ZJUUUORDSA-N 1 0 391.867 1.268 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCOC1 ZINC001574772183 950964517 /nfs/dbraw/zinc/96/45/17/950964517.db2.gz QSXBYVSIJQXORQ-OLZOCXBDSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnsn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574530032 950970716 /nfs/dbraw/zinc/97/07/16/950970716.db2.gz SLGSDCAQNOZDQY-ZJUUUORDSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576229428 950970975 /nfs/dbraw/zinc/97/09/75/950970975.db2.gz MMFISWLMNCIEOJ-ZFWWWQNUSA-N 1 0 384.488 1.110 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574530698 950990715 /nfs/dbraw/zinc/99/07/15/950990715.db2.gz VXOAMEJZOUZJCM-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1CCOCC1 ZINC001574774424 951000884 /nfs/dbraw/zinc/00/08/84/951000884.db2.gz CHHALYPANDJVEK-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575024095 951088327 /nfs/dbraw/zinc/08/83/27/951088327.db2.gz USRMRBAUTLDKPL-CYBMUJFWSA-N 1 0 380.456 1.554 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c[nH]nc21)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575027972 951165691 /nfs/dbraw/zinc/16/56/91/951165691.db2.gz KDKXREQUFBCORR-LLVKDONJSA-N 1 0 377.412 1.038 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1OCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575028201 951170864 /nfs/dbraw/zinc/17/08/64/951170864.db2.gz MDCISCJZEZMTHZ-GFCCVEGCSA-N 1 0 379.424 1.451 20 0 GDADRO C[C@H](CNC(=O)c1ccnn1C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575033952 951234308 /nfs/dbraw/zinc/23/43/08/951234308.db2.gz FKGSADWNRIXEFP-LLVKDONJSA-N 1 0 386.485 1.758 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2-c2nn[nH]n2)n1 ZINC001575034732 951252673 /nfs/dbraw/zinc/25/26/73/951252673.db2.gz CNNUYLHKAJTTFD-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575034899 951261173 /nfs/dbraw/zinc/26/11/73/951261173.db2.gz QGAFBIXUICLILS-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575036048 951289665 /nfs/dbraw/zinc/28/96/65/951289665.db2.gz PJEROWMPIJQGGJ-LBPRGKRZSA-N 1 0 378.440 1.434 20 0 GDADRO C[C@H](CNC(=O)c1cnc2[nH]ccc2c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044219 951409753 /nfs/dbraw/zinc/40/97/53/951409753.db2.gz QCZNBQJYRMUFPU-LLVKDONJSA-N 1 0 377.412 1.344 20 0 GDADRO CC(C)c1ncncc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575046401 951441474 /nfs/dbraw/zinc/44/14/74/951441474.db2.gz NRVXLUSPUVAITO-ZDUSSCGKSA-N 1 0 380.456 1.688 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575054101 951486133 /nfs/dbraw/zinc/48/61/33/951486133.db2.gz VQINDFVHVLFIIQ-ZDUSSCGKSA-N 1 0 382.472 1.726 20 0 GDADRO C[C@H](CNC(=O)c1conc1C1CC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575055835 951513922 /nfs/dbraw/zinc/51/39/22/951513922.db2.gz ANHQPPBQMLXGOE-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C2CC2)n1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575056394 951520747 /nfs/dbraw/zinc/52/07/47/951520747.db2.gz IMSDEDHDABZLEZ-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1csc(=O)[nH]1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575059001 951537472 /nfs/dbraw/zinc/53/74/72/951537472.db2.gz XOFRMMUCORKQBD-VIFPVBQESA-N 1 0 391.432 1.418 20 0 GDADRO C[C@@H](CNC(=O)c1csc(Cl)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575060709 951544787 /nfs/dbraw/zinc/54/47/87/951544787.db2.gz DQMZHQVDAYXALX-VIFPVBQESA-N 1 0 377.861 1.885 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575062452 951568007 /nfs/dbraw/zinc/56/80/07/951568007.db2.gz WGKQVELISDGSDK-SNVBAGLBSA-N 1 0 384.419 1.126 20 0 GDADRO C[C@@H](CNC(=O)c1ncc(Cl)s1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575062185 951568431 /nfs/dbraw/zinc/56/84/31/951568431.db2.gz VFIJDTOYEKRTCY-VIFPVBQESA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575065271 951581646 /nfs/dbraw/zinc/58/16/46/951581646.db2.gz BBITZCDBFBJIBR-LLVKDONJSA-N 1 0 384.444 1.447 20 0 GDADRO C[C@@H](CNC(=O)c1occ2c1CCOC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575067584 951617160 /nfs/dbraw/zinc/61/71/60/951617160.db2.gz VZPRMXFMHZICFP-JTQLQIEISA-N 1 0 388.453 1.502 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cc(F)c[nH]1 ZINC001575077390 951668296 /nfs/dbraw/zinc/66/82/96/951668296.db2.gz CHGZHHZZKAQJDZ-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccsn1 ZINC001575077444 951669012 /nfs/dbraw/zinc/66/90/12/951669012.db2.gz DDGKCDVPJZKACA-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1c(F)cccc1F ZINC001575077658 951672925 /nfs/dbraw/zinc/67/29/25/951672925.db2.gz HUTXJGFMSPRLGU-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@](C[NH2+]CC1CC(F)(F)C1)(NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001575077616 951673579 /nfs/dbraw/zinc/67/35/79/951673579.db2.gz GYYKKCYGTNUGTK-MRXNPFEDSA-N 1 0 379.415 1.728 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575077856 951676284 /nfs/dbraw/zinc/67/62/84/951676284.db2.gz IZRXBRVXPSFBEI-CZUORRHYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)c1cnco1)C1CC1 ZINC001575078525 951682975 /nfs/dbraw/zinc/68/29/75/951682975.db2.gz MUPBEMBACUHKKM-SFHVURJKSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575079329 951690386 /nfs/dbraw/zinc/69/03/86/951690386.db2.gz CXBVHQDSDHGGAU-DIFFPNOSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)COCC1CC1 ZINC001575079823 951697619 /nfs/dbraw/zinc/69/76/19/951697619.db2.gz GQHXUMQXYSZEFK-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1(C(F)F)CC1 ZINC001575079962 951700376 /nfs/dbraw/zinc/70/03/76/951700376.db2.gz UHDQGXSTNVLXHK-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080076 951702695 /nfs/dbraw/zinc/70/26/95/951702695.db2.gz ULVOPJVSTITAPO-CZUORRHYSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575080427 951708727 /nfs/dbraw/zinc/70/87/27/951708727.db2.gz LNQJGQLHZKLUGP-XJKSGUPXSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080464 951709900 /nfs/dbraw/zinc/70/99/00/951709900.db2.gz MLBGERGAGVACIO-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](CNC(=O)c1cncs1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080509 951711087 /nfs/dbraw/zinc/71/10/87/951711087.db2.gz XIULUFQMXNHSQB-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](CNC(=O)c1ccns1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080894 951717577 /nfs/dbraw/zinc/71/75/77/951717577.db2.gz ZXNCQHMOSAPJEF-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082218 951731761 /nfs/dbraw/zinc/73/17/61/951731761.db2.gz VXRSTDBUACXEKF-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)CCn1ccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088693 951741175 /nfs/dbraw/zinc/74/11/75/951741175.db2.gz AVEPEDMNDAHDRR-CYBMUJFWSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088661 951741930 /nfs/dbraw/zinc/74/19/30/951741930.db2.gz ADSGILQYCFWZMT-BBRMVZONSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cnsn1 ZINC001575089028 951745763 /nfs/dbraw/zinc/74/57/63/951745763.db2.gz CPCCJHBLKGIXEE-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001575089527 951750871 /nfs/dbraw/zinc/75/08/71/951750871.db2.gz GJYTXHPBUFUOSS-RDTXWAMCSA-N 1 0 390.513 1.872 20 0 GDADRO C[C@H](CNC(=O)c1csnn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089496 951751183 /nfs/dbraw/zinc/75/11/83/951751183.db2.gz GFEUGAPALCCIPJ-VIFPVBQESA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575089689 951753835 /nfs/dbraw/zinc/75/38/35/951753835.db2.gz HQCQRDIEKXMEOY-FQEVSTJZSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090120 951757177 /nfs/dbraw/zinc/75/71/77/951757177.db2.gz JKIQCCXHEWPZBA-KBPBESRZSA-N 1 0 382.472 1.311 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cncc(F)c1 ZINC001575090691 951764112 /nfs/dbraw/zinc/76/41/12/951764112.db2.gz NGYHGTVIFPGBJE-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)Cc1cccnc1 ZINC001575091478 951777237 /nfs/dbraw/zinc/77/72/37/951777237.db2.gz RYOYBWRKCNZKKI-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091515 951777945 /nfs/dbraw/zinc/77/79/45/951777945.db2.gz TWSAUMCVMPYPQI-CHWSQXEVSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)c1ncc[nH]1)C1CC1 ZINC001575091730 951782262 /nfs/dbraw/zinc/78/22/62/951782262.db2.gz WZXRLLHQKXPPSF-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575091953 951787474 /nfs/dbraw/zinc/78/74/74/951787474.db2.gz ZPZBABBZQDCOJT-GOSISDBHSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575092264 951793155 /nfs/dbraw/zinc/79/31/55/951793155.db2.gz ZTEXEMZEUJUPQP-YOEHRIQHSA-N 1 0 376.411 1.896 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092960 951797446 /nfs/dbraw/zinc/79/74/46/951797446.db2.gz GIYKGSDSOURRKB-LLVKDONJSA-N 1 0 388.863 1.409 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575095779 951814451 /nfs/dbraw/zinc/81/44/51/951814451.db2.gz WOLUSQLEEDOKOX-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1ccccn1 ZINC001575096111 951816987 /nfs/dbraw/zinc/81/69/87/951816987.db2.gz ZLJJYGVPDRTBHM-HNNXBMFYSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@@H](C)n1ccnc1 ZINC001575098164 951820733 /nfs/dbraw/zinc/82/07/33/951820733.db2.gz BSFHSKRNFFBLRD-CHWSQXEVSA-N 1 0 388.501 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1cncnc1 ZINC001575098981 951827317 /nfs/dbraw/zinc/82/73/17/951827317.db2.gz GRBUKAYDGCCQLZ-GFCCVEGCSA-N 1 0 386.485 1.288 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102000 951865545 /nfs/dbraw/zinc/86/55/45/951865545.db2.gz KGYOVEFKCZJHOW-ZDUSSCGKSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1ccncc1F ZINC001575101970 951865593 /nfs/dbraw/zinc/86/55/93/951865593.db2.gz KDPCVYYNJJTOSM-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)CC1OCCCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102015 951865755 /nfs/dbraw/zinc/86/57/55/951865755.db2.gz KLWOABCLGZQJIH-GFCCVEGCSA-N 1 0 392.435 1.001 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CC(C)(C)CO1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104478 951886050 /nfs/dbraw/zinc/88/60/50/951886050.db2.gz DIVCHUKIPUXLGD-RHSMWYFYSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1ccsn1 ZINC001575105167 951890633 /nfs/dbraw/zinc/89/06/33/951890633.db2.gz HKRJHPHWJLWNSI-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106239 951902939 /nfs/dbraw/zinc/90/29/39/951902939.db2.gz RIKMFFQCDIGUMC-ZDUSSCGKSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1cnns1 ZINC001575106539 951905751 /nfs/dbraw/zinc/90/57/51/951905751.db2.gz RUNFTNBQDXCROF-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575107902 951921662 /nfs/dbraw/zinc/92/16/62/951921662.db2.gz IEKHBYITRCCYNG-AWEZNQCLSA-N 1 0 387.488 1.062 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)nc1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108751 951926133 /nfs/dbraw/zinc/92/61/33/951926133.db2.gz NFBFOZABOSSQOX-ZDUSSCGKSA-N 1 0 392.467 1.690 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(C2CC2)n1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108842 951926744 /nfs/dbraw/zinc/92/67/44/951926744.db2.gz OBYDADXHFOIDPW-ZDUSSCGKSA-N 1 0 392.467 1.690 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109262 951929443 /nfs/dbraw/zinc/92/94/43/951929443.db2.gz QNARUWDMBBJQJT-AWEZNQCLSA-N 1 0 382.472 1.800 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001575109754 951933221 /nfs/dbraw/zinc/93/32/21/951933221.db2.gz UWEHQLZXSDEFCJ-LSDHHAIUSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575109743 951933889 /nfs/dbraw/zinc/93/38/89/951933889.db2.gz URBPINMSROIJNA-HNNXBMFYSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)CCO2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110258 951937347 /nfs/dbraw/zinc/93/73/47/951937347.db2.gz YXHNCZDCFSYFOZ-AWEZNQCLSA-N 1 0 392.463 1.957 20 0 GDADRO CC(C)c1cccc(C[NH2+]C[C@@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001575113943 951949488 /nfs/dbraw/zinc/94/94/88/951949488.db2.gz IULZEVNEJZRYHA-CYBMUJFWSA-N 1 0 382.472 1.869 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnn2c1CCC2 ZINC001575114040 951952209 /nfs/dbraw/zinc/95/22/09/951952209.db2.gz LAYNGLRBHRQTNO-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](C[NH2+]Cc1nccn1C(F)F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575116729 951972545 /nfs/dbraw/zinc/97/25/45/951972545.db2.gz GWGSWFQGFRQOQN-SECBINFHSA-N 1 0 379.375 1.037 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CC1 ZINC001575145486 952184067 /nfs/dbraw/zinc/18/40/67/952184067.db2.gz YJFSWDULVLQFGU-YGVKSYSMSA-N 1 0 393.495 1.983 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575146197 952191017 /nfs/dbraw/zinc/19/10/17/952191017.db2.gz HURNRYQFZMDVFE-LBPRGKRZSA-N 1 0 381.440 1.728 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1csc(Cl)n1 ZINC001575147171 952198942 /nfs/dbraw/zinc/19/89/42/952198942.db2.gz RLCLWGSHLUROJP-QMMMGPOBSA-N 1 0 378.849 1.366 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575147381 952200029 /nfs/dbraw/zinc/20/00/29/952200029.db2.gz SEIDRFJDJDRUJO-LLVKDONJSA-N 1 0 383.460 1.277 20 0 GDADRO C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575153052 952204782 /nfs/dbraw/zinc/20/47/82/952204782.db2.gz CHLKJKPSUJBNMS-CQSZACIVSA-N 1 0 387.492 1.182 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[nH]n2)n1 ZINC001575157654 952266527 /nfs/dbraw/zinc/26/65/27/952266527.db2.gz OBAAWMFQKGMPEB-ZFWWWQNUSA-N 1 0 387.492 1.178 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[nH]n2)n1 ZINC001575157653 952266822 /nfs/dbraw/zinc/26/68/22/952266822.db2.gz OBAAWMFQKGMPEB-UKRRQHHQSA-N 1 0 387.492 1.178 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001575165967 952318499 /nfs/dbraw/zinc/31/84/99/952318499.db2.gz XRMLXLNQXGDHSV-WFASDCNBSA-N 1 0 390.467 1.532 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575166253 952321849 /nfs/dbraw/zinc/32/18/49/952321849.db2.gz UECNXNXGTUSUCC-LLVKDONJSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@@H](COCC(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1)c1ccccc1 ZINC001575178920 952408903 /nfs/dbraw/zinc/40/89/03/952408903.db2.gz QMUKIARYQYCKOX-AWEZNQCLSA-N 1 0 381.440 1.032 20 0 GDADRO Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)C2(C(F)F)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571114536 952455856 /nfs/dbraw/zinc/45/58/56/952455856.db2.gz KCXKXOZGUXHVND-QWRGUYRKSA-N 1 0 375.383 1.405 20 0 GDADRO O=C([C@@H]1CCC1(F)F)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571115065 952464028 /nfs/dbraw/zinc/46/40/28/952464028.db2.gz RHRIESPTIOOGTJ-LOWVWBTDSA-N 1 0 375.383 1.202 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@@H]([C@H]2CCC[N@@H+](CCF)C2)C1 ZINC001571118566 952488179 /nfs/dbraw/zinc/48/81/79/952488179.db2.gz XEHVTTPEYFTHDI-UONOGXRCSA-N 1 0 375.452 1.729 20 0 GDADRO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001571120433 952503601 /nfs/dbraw/zinc/50/36/01/952503601.db2.gz LKEKPVJNXWDQDC-OBJOEFQTSA-N 1 0 375.502 1.054 20 0 GDADRO O=C(N[C@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2)c1cccnc1 ZINC001571120902 952511234 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CCn1ccc(C(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)n1 ZINC001571169856 952779150 /nfs/dbraw/zinc/77/91/50/952779150.db2.gz PFXZDSMKWJGJLU-CJNGLKHVSA-N 1 0 380.456 1.476 20 0 GDADRO Cc1cc(N(C)C2CCN(C(=O)c3cccn3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169800 952779323 /nfs/dbraw/zinc/77/93/23/952779323.db2.gz NVPSEMCVLQHICY-UHFFFAOYSA-N 1 0 380.456 1.650 20 0 GDADRO CCn1cccc1C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571169915 952780993 /nfs/dbraw/zinc/78/09/93/952780993.db2.gz QJGVGKTZSNSMAB-AWEZNQCLSA-N 1 0 380.456 1.530 20 0 GDADRO Cn1cnc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571172033 952800389 /nfs/dbraw/zinc/80/03/89/952800389.db2.gz KWLRZYFALCUUKP-INIZCTEOSA-N 1 0 380.456 1.385 20 0 GDADRO O=C(Cc1cc[nH]n1)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571172389 952807184 /nfs/dbraw/zinc/80/71/84/952807184.db2.gz USWUMBDGHYQFJG-HOCLYGCPSA-N 1 0 380.456 1.207 20 0 GDADRO C[C@@H](NC(=O)c1ccncc1F)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 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GDADRO Cc1cc(N2CCC[C@H]2CNC(=O)c2ccncc2F)c(-c2nn[nH]n2)c[nH+]1 ZINC001571196741 952983744 /nfs/dbraw/zinc/98/37/44/952983744.db2.gz NBCRMDWPIABYMO-LBPRGKRZSA-N 1 0 382.403 1.503 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)c3ncccc3F)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571196928 952985238 /nfs/dbraw/zinc/98/52/38/952985238.db2.gz QAHPPKUOSZYPMO-MEBBXXQBSA-N 1 0 382.403 1.099 20 0 GDADRO O=C(c1cncnc1)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571201502 953018437 /nfs/dbraw/zinc/01/84/37/953018437.db2.gz QUTOKKXIFHXRER-UHFFFAOYSA-N 1 0 382.403 1.190 20 0 GDADRO O=C(c1ncccn1)N1CCC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001571202377 953023928 /nfs/dbraw/zinc/02/39/28/953023928.db2.gz VVMVENNUTDYBKF-UHFFFAOYSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1ncc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cc(-c4nn[nH]n4)c[nH]2)C3)o1 ZINC001571207091 953058971 /nfs/dbraw/zinc/05/89/71/953058971.db2.gz VULZJXDOKXECSV-YUTCNCBUSA-N 1 0 382.428 1.274 20 0 GDADRO Cc1ncoc1C[NH2+][C@@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C12CCC2 ZINC001571207126 953060310 /nfs/dbraw/zinc/06/03/10/953060310.db2.gz WAWAUAOYFDVCBP-CABCVRRESA-N 1 0 382.428 1.322 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)C1CC1 ZINC001571210018 953069716 /nfs/dbraw/zinc/06/97/16/953069716.db2.gz LUDXWFWHKCCIRZ-RCCFBDPRSA-N 1 0 382.468 1.324 20 0 GDADRO Cc1ccc(F)c(C[NH2+]C2CC(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571229474 953170017 /nfs/dbraw/zinc/17/00/17/953170017.db2.gz FWONLTXCZKSBDN-UHFFFAOYSA-N 1 0 383.431 1.941 20 0 GDADRO CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571229708 953171465 /nfs/dbraw/zinc/17/14/65/953171465.db2.gz KLKJBPNQCPWAIA-HNNXBMFYSA-N 1 0 383.431 1.832 20 0 GDADRO CCc1[nH]ccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571229796 953172107 /nfs/dbraw/zinc/17/21/07/953172107.db2.gz NTLMIRKZMRMJMO-OKILXGFUSA-N 1 0 383.431 1.947 20 0 GDADRO O=C(C[C@H]1CCOC1)N[C@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001571232720 953188665 /nfs/dbraw/zinc/18/86/65/953188665.db2.gz JWXBHNFGJGYQPC-CJNGLKHVSA-N 1 0 383.456 1.163 20 0 GDADRO Cc1cc(N2CC[C@@H]3CN(C(=O)[C@H]4CCCO4)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233307 953191712 /nfs/dbraw/zinc/19/17/12/953191712.db2.gz RLTBLOPUVLKCMI-JKIFEVAISA-N 1 0 383.456 1.034 20 0 GDADRO Cn1ccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571234245 953200444 /nfs/dbraw/zinc/20/04/44/953200444.db2.gz QUNIOCNGTUSWTA-JOCQHMNTSA-N 1 0 383.460 1.007 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)Cc1ccco1 ZINC001571238775 953232330 /nfs/dbraw/zinc/23/23/30/953232330.db2.gz AGNFABHVHUUQKJ-SWLSCSKDSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@@H]1CN(C(=O)c2n[nH]cc2F)CC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571238994 953234652 /nfs/dbraw/zinc/23/46/52/953234652.db2.gz DULXGKKGIVOMJW-IAQYHMDHSA-N 1 0 384.419 1.369 20 0 GDADRO CC1(NC(=O)c2cn[nH]c2)CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571239206 953237034 /nfs/dbraw/zinc/23/70/34/953237034.db2.gz HTFRQCVMZXHARS-UHFFFAOYSA-N 1 0 384.419 1.513 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571239368 953238776 /nfs/dbraw/zinc/23/87/76/953238776.db2.gz JIGCKOHSMTXFGJ-CQSZACIVSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1cc(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)[nH]n1 ZINC001571239592 953241596 /nfs/dbraw/zinc/24/15/96/953241596.db2.gz NKHSIXVSJRZXNK-UHFFFAOYSA-N 1 0 384.419 1.430 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2ccco2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571239676 953241772 /nfs/dbraw/zinc/24/17/72/953241772.db2.gz PNXUJPPQAKKGIO-PXAZEXFGSA-N 1 0 384.415 1.921 20 0 GDADRO Cc1ccoc1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239734 953241962 /nfs/dbraw/zinc/24/19/62/953241962.db2.gz RRBXJAQVZUXHKW-AWEZNQCLSA-N 1 0 384.415 1.840 20 0 GDADRO Cn1cncc1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571241629 953248289 /nfs/dbraw/zinc/24/82/89/953248289.db2.gz GSYQSWJECJIXCT-UHFFFAOYSA-N 1 0 384.419 1.038 20 0 GDADRO Cn1nccc1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571241753 953249867 /nfs/dbraw/zinc/24/98/67/953249867.db2.gz KQSMAVCCWOGMAJ-CYBMUJFWSA-N 1 0 384.419 1.134 20 0 GDADRO CCc1noc(C)c1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571242490 953256989 /nfs/dbraw/zinc/25/69/89/953256989.db2.gz HRSLSFRQKYVMPV-ZYHUDNBSSA-N 1 0 384.444 1.446 20 0 GDADRO CCc1cnc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571243080 953262638 /nfs/dbraw/zinc/26/26/38/953262638.db2.gz VIMFKPFPARWBLC-AAEUAGOBSA-N 1 0 384.444 1.434 20 0 GDADRO C[C@H]1CN(C(=O)c2cnns2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571244675 953265790 /nfs/dbraw/zinc/26/57/90/953265790.db2.gz DKZPZXUBHWWJJG-SMDDNHRTSA-N 1 0 384.469 1.216 20 0 GDADRO Cc1nc(CC(=O)N(C)C2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cs1 ZINC001571244627 953265968 /nfs/dbraw/zinc/26/59/68/953265968.db2.gz CLXRZKSRASLTSN-UHFFFAOYSA-N 1 0 384.469 1.093 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)nn1 ZINC001571244757 953266976 /nfs/dbraw/zinc/26/69/76/953266976.db2.gz HNISPRJEYQFOMY-WCQYABFASA-N 1 0 384.469 1.419 20 0 GDADRO Cc1cc(C[N@@H+]2CCC3(CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C3)C2)sn1 ZINC001571244782 953267025 /nfs/dbraw/zinc/26/70/25/953267025.db2.gz IMUZUHCFUCQAQT-UHFFFAOYSA-N 1 0 384.469 1.308 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571244893 953268335 /nfs/dbraw/zinc/26/83/35/953268335.db2.gz LJEKTANNXYDPMD-GFCCVEGCSA-N 1 0 384.469 1.312 20 0 GDADRO C[C@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245068 953269459 /nfs/dbraw/zinc/26/94/59/953269459.db2.gz NIZBCQFAWJYDFZ-NWDGAFQWSA-N 1 0 384.469 1.350 20 0 GDADRO C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571245406 953272958 /nfs/dbraw/zinc/27/29/58/953272958.db2.gz HZWZBXUQEYZZOF-GMIDFTQGSA-N 1 0 384.459 1.988 20 0 GDADRO Cc1ccnc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001571245815 953276535 /nfs/dbraw/zinc/27/65/35/953276535.db2.gz ZJBNGCKUSCAASS-KRWDZBQOSA-N 1 0 384.469 1.421 20 0 GDADRO Cc1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)o1 ZINC001571247518 953283529 /nfs/dbraw/zinc/28/35/29/953283529.db2.gz ACGJPSHXWOJHRG-GWCFXTLKSA-N 1 0 384.444 1.298 20 0 GDADRO CC[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571247543 953283567 /nfs/dbraw/zinc/28/35/67/953283567.db2.gz ADEKDZVVEMINHJ-FJIDUMEYSA-N 1 0 384.484 1.809 20 0 GDADRO CC[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571247544 953283805 /nfs/dbraw/zinc/28/38/05/953283805.db2.gz ADEKDZVVEMINHJ-WNRNVDISSA-N 1 0 384.484 1.809 20 0 GDADRO CC[C@H]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)O1 ZINC001571247753 953285334 /nfs/dbraw/zinc/28/53/34/953285334.db2.gz DHSCLMZIMUDGHU-DNMXQMFDSA-N 1 0 384.484 1.809 20 0 GDADRO CC(C)[C@@H](O)C(=O)N1CC2(C1)CCC[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001571247761 953286354 /nfs/dbraw/zinc/28/63/54/953286354.db2.gz DJSPOOAFQHPGSG-QGZVFWFLSA-N 1 0 384.484 1.308 20 0 GDADRO C[C@H]1CN(C(=O)CC2CCOCC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571247912 953287510 /nfs/dbraw/zinc/28/75/10/953287510.db2.gz IEIFGXXAIUEGMS-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO COCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571247971 953287991 /nfs/dbraw/zinc/28/79/91/953287991.db2.gz KBMSOJNCIUHFBH-QZTJIDSGSA-N 1 0 384.484 1.859 20 0 GDADRO CC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN(C(=O)CC2(O)CCC2)CC1 ZINC001571248088 953289976 /nfs/dbraw/zinc/28/99/76/953289976.db2.gz LPQPGUHVPDJZPC-UHFFFAOYSA-N 1 0 384.484 1.643 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001571248300 953291303 /nfs/dbraw/zinc/29/13/03/953291303.db2.gz PWKMSHYRURQLBJ-SJLPKXTDSA-N 1 0 384.484 1.762 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC001571248420 953293174 /nfs/dbraw/zinc/29/31/74/953293174.db2.gz SXADYUBGSQXDPP-FUHWJXTLSA-N 1 0 384.484 1.716 20 0 GDADRO C[C@@H](CC(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571248704 953295801 /nfs/dbraw/zinc/29/58/01/953295801.db2.gz YBIXQKNEFOOKGO-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO O=C(CC1CCCC1)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001571249034 953299328 /nfs/dbraw/zinc/29/93/28/953299328.db2.gz BOIISXHORCHMLY-QZTJIDSGSA-N 1 0 384.484 1.498 20 0 GDADRO O=C(CC1CCCC1)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571249035 953299740 /nfs/dbraw/zinc/29/97/40/953299740.db2.gz BOIISXHORCHMLY-ROUUACIJSA-N 1 0 384.484 1.498 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)C1 ZINC001571249123 953301183 /nfs/dbraw/zinc/30/11/83/953301183.db2.gz DKMFAUHSQNLDEQ-MRXNPFEDSA-N 1 0 384.488 1.031 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571249277 953303583 /nfs/dbraw/zinc/30/35/83/953303583.db2.gz HIRNEUAUGKERNC-PBHICJAKSA-N 1 0 384.488 1.221 20 0 GDADRO Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001571250463 953310908 /nfs/dbraw/zinc/31/09/08/953310908.db2.gz RTDABKWJKYHDJS-GWCFXTLKSA-N 1 0 384.444 1.583 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571250569 953311070 /nfs/dbraw/zinc/31/10/70/953311070.db2.gz QVOAUUMFSPBDHH-XUJLQICISA-N 1 0 384.488 1.537 20 0 GDADRO O=C([C@@H]1CCCOC1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571251091 953314338 /nfs/dbraw/zinc/31/43/38/953314338.db2.gz VXFFOTIHLSNEQS-FUHWJXTLSA-N 1 0 384.484 1.622 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001571252080 953322565 /nfs/dbraw/zinc/32/25/65/953322565.db2.gz GUAOVLBBYGQZTG-HIFRSBDPSA-N 1 0 384.488 1.315 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)c(C)n2)C1 ZINC001571252072 953323477 /nfs/dbraw/zinc/32/34/77/953323477.db2.gz GOIUAGJUFXTXKE-DZKIICNBSA-N 1 0 384.488 1.504 20 0 GDADRO CN(C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC001571252395 953327580 /nfs/dbraw/zinc/32/75/80/953327580.db2.gz MAOVHJXZYSOCOJ-GOEBONIOSA-N 1 0 384.488 1.031 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571252637 953331074 /nfs/dbraw/zinc/33/10/74/953331074.db2.gz SEXPZWBAEVURHG-IIAWOOMASA-N 1 0 384.488 1.443 20 0 GDADRO Cc1nc(N2CCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1-c1nn[nH]n1 ZINC001571252839 953332631 /nfs/dbraw/zinc/33/26/31/953332631.db2.gz WKKCEMUQYAJCQS-HOCLYGCPSA-N 1 0 384.488 1.139 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cnco1 ZINC001571254256 953337507 /nfs/dbraw/zinc/33/75/07/953337507.db2.gz FELWNLBHJKLKKT-WCQYABFASA-N 1 0 385.403 1.777 20 0 GDADRO C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001571254429 953338750 /nfs/dbraw/zinc/33/87/50/953338750.db2.gz GNFXNKQLRHHBGQ-GFCCVEGCSA-N 1 0 385.403 1.588 20 0 GDADRO O=C(NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)c1c(F)cncc1F ZINC001571256305 953368701 /nfs/dbraw/zinc/36/87/01/953368701.db2.gz USEORIRJKPCWEZ-UHFFFAOYSA-N 1 0 385.378 1.402 20 0 GDADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000874398147 956152926 /nfs/dbraw/zinc/15/29/26/956152926.db2.gz NTZSHOKMAANFTE-LJQANCHMSA-N 1 0 390.528 1.991 20 0 GDADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)[NH+](C)C ZINC000874401403 956161125 /nfs/dbraw/zinc/16/11/25/956161125.db2.gz KBXOASHJXSQDCN-HNAYVOBHSA-N 1 0 376.501 1.834 20 0 GDADRO CC(C)(C(=O)[O-])[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000629364217 975084204 /nfs/dbraw/zinc/08/42/04/975084204.db2.gz WXSBBTNZOLJIRQ-LJQANCHMSA-N 1 0 375.513 1.758 20 0 GDADRO CCN1CCC([NH+]2CCC(C(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)CC2)CC1 ZINC000910178865 981775296 /nfs/dbraw/zinc/77/52/96/981775296.db2.gz FYQRRKDCVSGCGF-UHFFFAOYSA-N 1 0 394.560 1.190 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001595633882 981878088 /nfs/dbraw/zinc/87/80/88/981878088.db2.gz YREPJKGCZFKGOB-MRXNPFEDSA-N 1 0 377.489 1.532 20 0 GDADRO O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc2)CC1 ZINC000911339652 982365376 /nfs/dbraw/zinc/36/53/76/982365376.db2.gz WQFWHSIPLHJBRU-UHFFFAOYSA-N 1 0 379.420 1.793 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001594515289 985871350 /nfs/dbraw/zinc/87/13/50/985871350.db2.gz NSRNMCZYGZQWCN-UYAOXDASSA-N 1 0 387.524 1.949 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001594515287 985872902 /nfs/dbraw/zinc/87/29/02/985872902.db2.gz NSRNMCZYGZQWCN-ICSRJNTNSA-N 1 0 387.524 1.949 20 0 GDADRO C[NH+]1CCC2(CCC[N@H+](CC(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])C2)CC1 ZINC001598591606 993441631 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379.404 1.303 20 0 GDADRO COCC[N@H+](C)CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000171127974 530595050 /nfs/dbraw/zinc/59/50/50/530595050.db2.gz OIHZULBEFYFKRU-CYBMUJFWSA-N 1 0 398.301 1.496 20 0 GDADRO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000172603709 530615143 /nfs/dbraw/zinc/61/51/43/530615143.db2.gz PKLMKDVAPBFSFY-CHWSQXEVSA-N 1 0 381.523 1.794 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000037024906 530615234 /nfs/dbraw/zinc/61/52/34/530615234.db2.gz TYQDTVGETRXYOB-ZWNOBZJWSA-N 1 0 377.304 1.258 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000171758485 530602810 /nfs/dbraw/zinc/60/28/10/530602810.db2.gz CICYGXPZVOITES-ZDUSSCGKSA-N 1 0 392.319 1.237 20 0 GDADRO CCS(=O)(=O)NCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000171948997 530605653 /nfs/dbraw/zinc/60/56/53/530605653.db2.gz ZBPQUAIQMPRKNS-UHFFFAOYSA-N 1 0 391.331 1.984 20 0 GDADRO C[C@H](CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[NH+](C)C ZINC000033093373 530611718 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1.095 20 0 GDADRO O=C1CNC(=O)N1CCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000066425217 530761709 /nfs/dbraw/zinc/76/17/09/530761709.db2.gz ILXFRIILWDCOFJ-UHFFFAOYSA-N 1 0 396.285 1.986 20 0 GDADRO CCNC(=O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000063312931 530745246 /nfs/dbraw/zinc/74/52/46/530745246.db2.gz ILBCIHBFQNDTQE-UHFFFAOYSA-N 1 0 378.210 1.534 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c(Br)n1 ZINC000179727962 530748547 /nfs/dbraw/zinc/74/85/47/530748547.db2.gz WBARQUWGFGXKPL-UHFFFAOYSA-N 1 0 399.289 1.054 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000180865616 530772904 /nfs/dbraw/zinc/77/29/04/530772904.db2.gz BLOJIJMJHUSMSR-ZDUSSCGKSA-N 1 0 399.738 1.835 20 0 GDADRO CC[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C ZINC000181127924 530778887 /nfs/dbraw/zinc/77/88/87/530778887.db2.gz UGWKKMFHBZVJMV-UHFFFAOYSA-N 1 0 392.319 1.946 20 0 GDADRO CC1(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC[NH2+]CC1 ZINC000181279379 530781044 /nfs/dbraw/zinc/78/10/44/530781044.db2.gz IVZWQLRUSSTYLH-UHFFFAOYSA-N 1 0 385.555 1.581 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000181463161 530783738 /nfs/dbraw/zinc/78/37/38/530783738.db2.gz BTNNCTIYMYPJFB-LLVKDONJSA-N 1 0 381.274 1.692 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182609689 530801879 /nfs/dbraw/zinc/80/18/79/530801879.db2.gz XUQQZOZNOAAHOO-CYBMUJFWSA-N 1 0 377.457 1.245 20 0 GDADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000182813682 530805092 /nfs/dbraw/zinc/80/50/92/530805092.db2.gz VQROWFRQPNIKDT-UHFFFAOYSA-N 1 0 381.420 1.985 20 0 GDADRO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000073554571 530806336 /nfs/dbraw/zinc/80/63/36/530806336.db2.gz URYLANXQJBYYCO-ARFHVFGLSA-N 1 0 375.579 1.967 20 0 GDADRO CC[C@H](C)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000068450606 530788162 /nfs/dbraw/zinc/78/81/62/530788162.db2.gz RHCHQKVKFZLNII-LBPRGKRZSA-N 1 0 393.962 1.965 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181694106 530789254 /nfs/dbraw/zinc/78/92/54/530789254.db2.gz QLSRYBKDOPESGG-WCQYABFASA-N 1 0 378.491 1.304 20 0 GDADRO Cn1c(=O)cc(C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)n(C)c1=O ZINC000068831106 530791507 /nfs/dbraw/zinc/79/15/07/530791507.db2.gz SPLVMKPWWQYHAV-UHFFFAOYSA-N 1 0 386.279 1.775 20 0 GDADRO NC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)C1CCOCC1 ZINC000181977048 530792893 /nfs/dbraw/zinc/79/28/93/530792893.db2.gz JKRREFQOMLMBJA-GFCCVEGCSA-N 1 0 385.262 1.043 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCC(C)(C)NS(C)(=O)=O)C1 ZINC000069082683 530794772 /nfs/dbraw/zinc/79/47/72/530794772.db2.gz SCIDLWXDFLSILW-OKILXGFUSA-N 1 0 376.567 1.370 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000184377596 530827379 /nfs/dbraw/zinc/82/73/79/530827379.db2.gz OXKCWEAHFPSIBB-GFCCVEGCSA-N 1 0 398.301 1.934 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(OC)c(Br)n2)CC1 ZINC000183118938 530809562 /nfs/dbraw/zinc/80/95/62/530809562.db2.gz USGDMSOVWKVBGN-CYBMUJFWSA-N 1 0 399.333 1.856 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000183155493 530809831 /nfs/dbraw/zinc/80/98/31/530809831.db2.gz CMJDUHNWVBWHCV-NSHDSACASA-N 1 0 376.320 1.745 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183196135 530811559 /nfs/dbraw/zinc/81/15/59/530811559.db2.gz UAQJFNAKYPXYOK-JTQLQIEISA-N 1 0 394.269 1.994 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000093920040 530814332 /nfs/dbraw/zinc/81/43/32/530814332.db2.gz RBUSZCRXYDODKP-GFCCVEGCSA-N 1 0 386.905 1.587 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000185807973 530846908 /nfs/dbraw/zinc/84/69/08/530846908.db2.gz BDDSNCMEWNIIPZ-CYBMUJFWSA-N 1 0 393.303 1.409 20 0 GDADRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000185868138 530847813 /nfs/dbraw/zinc/84/78/13/530847813.db2.gz NZAPDCNHNWOTEB-INIZCTEOSA-N 1 0 381.885 1.216 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000106893841 530850761 /nfs/dbraw/zinc/85/07/61/530850761.db2.gz OUHSGHMWYFHNHQ-CYBMUJFWSA-N 1 0 375.897 1.880 20 0 GDADRO Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106895102 530850778 /nfs/dbraw/zinc/85/07/78/530850778.db2.gz ICKAWLXPTVRFHK-ZDUSSCGKSA-N 1 0 390.347 1.672 20 0 GDADRO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000186128499 530851478 /nfs/dbraw/zinc/85/14/78/530851478.db2.gz DUPWCPCWKNJADC-MFKMUULPSA-N 1 0 381.420 1.362 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(Br)c1 ZINC000106895628 530851853 /nfs/dbraw/zinc/85/18/53/530851853.db2.gz AKULSFRNEZEEIP-LBPRGKRZSA-N 1 0 376.320 1.363 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000107887145 530855449 /nfs/dbraw/zinc/85/54/49/530855449.db2.gz OPOVQTVHEHYEHY-LBPRGKRZSA-N 1 0 393.285 1.617 20 0 GDADRO OC[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000186531139 530857028 /nfs/dbraw/zinc/85/70/28/530857028.db2.gz YBXWSRSHHNMMAK-SRVKXCTJSA-N 1 0 380.666 1.270 20 0 GDADRO C[C@@H](NC(=O)CNS(=O)(=O)c1cccs1)[C@H](c1ccccc1)[NH+](C)C ZINC000186487190 530857077 /nfs/dbraw/zinc/85/70/77/530857077.db2.gz HANUIMBFXVKXKO-CXAGYDPISA-N 1 0 381.523 1.834 20 0 GDADRO OCCC[N@H+](CCO)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000109799328 530864378 /nfs/dbraw/zinc/86/43/78/530864378.db2.gz GKRHBICCKGPCDG-GFCCVEGCSA-N 1 0 382.682 1.519 20 0 GDADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000186958293 530865518 /nfs/dbraw/zinc/86/55/18/530865518.db2.gz JQABNJLLRPIDQJ-NSHDSACASA-N 1 0 396.289 1.409 20 0 GDADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000110490808 530867395 /nfs/dbraw/zinc/86/73/95/530867395.db2.gz ZSBJTMQWLQAOAX-CHWSQXEVSA-N 1 0 375.288 1.591 20 0 GDADRO Nc1cc[nH+]cc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000187220269 530868657 /nfs/dbraw/zinc/86/86/57/530868657.db2.gz BNFWQBWGOGEUMG-UHFFFAOYSA-N 1 0 380.857 1.464 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000187269798 530869825 /nfs/dbraw/zinc/86/98/25/530869825.db2.gz FLAOFZAXILZFNG-CQSZACIVSA-N 1 0 399.333 1.641 20 0 GDADRO O=C(Cc1ccccc1Br)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000104411406 530838440 /nfs/dbraw/zinc/83/84/40/530838440.db2.gz HVRPGYIFZRIGJD-UHFFFAOYSA-N 1 0 394.313 1.758 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000185232758 530838601 /nfs/dbraw/zinc/83/86/01/530838601.db2.gz QWYLUEUXNCPMEL-CQSZACIVSA-N 1 0 381.782 1.726 20 0 GDADRO C[N@H+](CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC000104575223 530838859 /nfs/dbraw/zinc/83/88/59/530838859.db2.gz DPWBSYHFXKBSET-UHFFFAOYSA-N 1 0 379.935 1.670 20 0 GDADRO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCC(F)(F)F ZINC000104677952 530839347 /nfs/dbraw/zinc/83/93/47/530839347.db2.gz AHUWBGJGTJNQSC-UHFFFAOYSA-N 1 0 381.420 1.267 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccccc1OC(F)F ZINC000185347231 530840606 /nfs/dbraw/zinc/84/06/06/530840606.db2.gz ISLISFWNKISZEN-ZDUSSCGKSA-N 1 0 377.457 1.592 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1nnc(C(F)F)s1 ZINC000105019266 530841405 /nfs/dbraw/zinc/84/14/05/530841405.db2.gz YDETVDSUBLFMDV-VIFPVBQESA-N 1 0 376.433 1.540 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000105098157 530841560 /nfs/dbraw/zinc/84/15/60/530841560.db2.gz ZDKAJYHVXGRRSG-CYBMUJFWSA-N 1 0 388.559 1.576 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000104982746 530841788 /nfs/dbraw/zinc/84/17/88/530841788.db2.gz XCNHJQRCDLDJAG-QMMMGPOBSA-N 1 0 380.396 1.266 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(Cl)n1 ZINC000185477530 530842291 /nfs/dbraw/zinc/84/22/91/530842291.db2.gz YZWBWISKMFDONE-OAHLLOKOSA-N 1 0 386.949 1.834 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000115433348 530899988 /nfs/dbraw/zinc/89/99/88/530899988.db2.gz ONAABTRZYLDEHW-CQSZACIVSA-N 1 0 387.933 1.761 20 0 GDADRO CCN(CCO)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188762825 530900767 /nfs/dbraw/zinc/90/07/67/530900767.db2.gz YRSJPPXNQSIDGP-UHFFFAOYSA-N 1 0 386.334 1.690 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1OC ZINC000115686296 530901281 /nfs/dbraw/zinc/90/12/81/530901281.db2.gz DIXTVTZJYQYUIR-SNVBAGLBSA-N 1 0 379.276 1.482 20 0 GDADRO C[C@H](Oc1ccccc1Br)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000112269673 530880109 /nfs/dbraw/zinc/88/01/09/530880109.db2.gz DLTHLBKYUJGETQ-AWEZNQCLSA-N 1 0 384.318 1.970 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000189293882 530911372 /nfs/dbraw/zinc/91/13/72/530911372.db2.gz DZVGJBASJPYMFL-JTQLQIEISA-N 1 0 386.358 1.588 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)Cc1ccccc1I ZINC000119831443 530931638 /nfs/dbraw/zinc/93/16/38/530931638.db2.gz PULWUXFFRNAWPC-UHFFFAOYSA-N 1 0 390.265 1.918 20 0 GDADRO O=C(Cc1cccc(I)c1)NCC[N@@H+]1CCCOCC1 ZINC000189413150 530912888 /nfs/dbraw/zinc/91/28/88/530912888.db2.gz BMRBVOGZDRMABA-UHFFFAOYSA-N 1 0 388.249 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531071351 /nfs/dbraw/zinc/07/13/51/531071351.db2.gz RPERZOVWCYFBHY-CYBMUJFWSA-N 1 0 388.559 1.705 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000247079806 531071871 /nfs/dbraw/zinc/07/18/71/531071871.db2.gz SXUXOJQHMLEWQN-MJVIPROJSA-N 1 0 389.315 1.792 20 0 GDADRO CS(=O)(=O)N[C@H]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000247209517 531073000 /nfs/dbraw/zinc/07/30/00/531073000.db2.gz UOPVGACYELJBQN-WDEREUQCSA-N 1 0 383.297 1.357 20 0 GDADRO COc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc(OC)c1Br ZINC000262028802 531105978 /nfs/dbraw/zinc/10/59/78/531105978.db2.gz JNSGLTLIFQRCIL-ZDUSSCGKSA-N 1 0 398.301 1.586 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000262070186 531106812 /nfs/dbraw/zinc/10/68/12/531106812.db2.gz PAWUKCUCBCOZDV-FOSCPWQOSA-N 1 0 388.287 1.109 20 0 GDADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)C1 ZINC000262068791 531106952 /nfs/dbraw/zinc/10/69/52/531106952.db2.gz RWQOFBBICMCCPE-NSHDSACASA-N 1 0 380.388 1.865 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNCc1ncc(Br)cc1Br ZINC000135302463 531107842 /nfs/dbraw/zinc/10/78/42/531107842.db2.gz DBNGRDOYKGUBEE-LLVKDONJSA-N 1 0 392.139 1.942 20 0 GDADRO CCC[NH2+]CCNS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000262131768 531109315 /nfs/dbraw/zinc/10/93/15/531109315.db2.gz YFVMFTIHBXJBGY-UHFFFAOYSA-N 1 0 377.894 1.328 20 0 GDADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1 ZINC000262130414 531109394 /nfs/dbraw/zinc/10/93/94/531109394.db2.gz WRNSZEPOZTXYRA-SNVBAGLBSA-N 1 0 390.303 1.168 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000262155768 531110113 /nfs/dbraw/zinc/11/01/13/531110113.db2.gz ZJKOAWNSHJDDOG-XJKSGUPXSA-N 1 0 389.543 1.075 20 0 GDADRO COc1cc(CNC(=O)[C@@H]([NH3+])C2CCOCC2)cc(Br)c1OC ZINC000262161879 531110585 /nfs/dbraw/zinc/11/05/85/531110585.db2.gz YAAIVZHZKUTHAS-AWEZNQCLSA-N 1 0 387.274 1.836 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c1 ZINC000262186272 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383.495 1.356 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[N@H+]1CC=CCC1 ZINC000477632995 531333074 /nfs/dbraw/zinc/33/30/74/531333074.db2.gz GZOXYQOQTLJJLP-CYBMUJFWSA-N 1 0 380.286 1.946 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000440358243 531334996 /nfs/dbraw/zinc/33/49/96/531334996.db2.gz OXQYKJBLWKDIPA-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000440347231 531335065 /nfs/dbraw/zinc/33/50/65/531335065.db2.gz HOELODRQGOQEOH-SNVBAGLBSA-N 1 0 391.287 1.595 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1Br ZINC000440846212 531348431 /nfs/dbraw/zinc/34/84/31/531348431.db2.gz LDVIKPUNEFTULZ-MWLCHTKSSA-N 1 0 390.303 1.765 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)N2CCN(CC[NH+](C)C)CC2)c1 ZINC000292308377 531348468 /nfs/dbraw/zinc/34/84/68/531348468.db2.gz NIDQXYMHPIYSOV-UHFFFAOYSA-N 1 0 398.301 1.555 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000440863908 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20 0 GDADRO CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000267158213 531405242 /nfs/dbraw/zinc/40/52/42/531405242.db2.gz YLBYFJJVSBUJFV-KRWDZBQOSA-N 1 0 385.555 1.460 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(I)cc1)C[NH+](C)C ZINC000293194456 531407590 /nfs/dbraw/zinc/40/75/90/531407590.db2.gz OAQQXLGRLOZUFQ-JTQLQIEISA-N 1 0 389.237 1.544 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)N2CCN(C(=O)c3cccs3)CC2)CCSC1 ZINC000267188689 531409391 /nfs/dbraw/zinc/40/93/91/531409391.db2.gz ODQSQYNUFQGQFH-QGZVFWFLSA-N 1 0 382.555 1.653 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NCC[N@H+](C)C(C)C)c1 ZINC000444173716 531395767 /nfs/dbraw/zinc/39/57/67/531395767.db2.gz CUSHMDIRSMZDQA-UHFFFAOYSA-N 1 0 393.303 1.854 20 0 GDADRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)sc1S(N)(=O)=O ZINC000447089674 531415648 /nfs/dbraw/zinc/41/56/48/531415648.db2.gz JNIAKJZATGTVFW-WDEREUQCSA-N 1 0 375.516 1.254 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000293358920 531416436 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Cc1cc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)ccc1Br ZINC000535379165 531446385 /nfs/dbraw/zinc/44/63/85/531446385.db2.gz SANRCIHHASSGPA-UHFFFAOYSA-N 1 0 398.345 1.877 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ncsc1C(F)(F)F ZINC000279635937 531446808 /nfs/dbraw/zinc/44/68/08/531446808.db2.gz WBYFTOYLRAAZEB-JTQLQIEISA-N 1 0 378.420 1.834 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000293773664 531443081 /nfs/dbraw/zinc/44/30/81/531443081.db2.gz YOYGCAFVHUACEO-UHFFFAOYSA-N 1 0 385.917 1.806 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)s1 ZINC000414364791 531444831 /nfs/dbraw/zinc/44/48/31/531444831.db2.gz JNTBPABLGGOFCD-CVEARBPZSA-N 1 0 380.535 1.877 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000279720763 531451167 /nfs/dbraw/zinc/45/11/67/531451167.db2.gz IXABDKIZTUYZPW-NSHDSACASA-N 1 0 381.420 1.341 20 0 GDADRO COC(=O)[C@@H]1CN(Cc2cc(O)c(OC)cc2Br)CC[N@H+](C)C1 ZINC000414485882 531457826 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C[NH2+]CCCNC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415304401 531473744 /nfs/dbraw/zinc/47/37/44/531473744.db2.gz GXGKNYSYWAJBQY-UHFFFAOYSA-N 1 0 394.273 1.358 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415319210 531474558 /nfs/dbraw/zinc/47/45/58/531474558.db2.gz SIQNWYIZWFJAGS-NSHDSACASA-N 1 0 387.221 1.406 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000449748249 531475198 /nfs/dbraw/zinc/47/51/98/531475198.db2.gz BCHKIHXCUMDYCT-ZDUSSCGKSA-N 1 0 386.265 1.965 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C(F)(F)F ZINC000449725780 531475215 /nfs/dbraw/zinc/47/52/15/531475215.db2.gz OPBQFHWKGZEFAK-LLVKDONJSA-N 1 0 399.460 1.471 20 0 GDADRO O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415326958 531475290 /nfs/dbraw/zinc/47/52/90/531475290.db2.gz GOWFMZIREVTNMT-LBPRGKRZSA-N 1 0 382.251 1.655 20 0 GDADRO CN(C(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C)C1CC[NH2+]CC1 ZINC000415327485 531475389 /nfs/dbraw/zinc/47/53/89/531475389.db2.gz OFLGKYXOUQVMTA-UHFFFAOYSA-N 1 0 381.889 1.951 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415328502 531475675 /nfs/dbraw/zinc/47/56/75/531475675.db2.gz CIVOWTHKFFYSDX-LLVKDONJSA-N 1 0 384.274 1.820 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000415328963 531475719 /nfs/dbraw/zinc/47/57/19/531475719.db2.gz CSMKLTJHFKIZDB-VIFPVBQESA-N 1 0 388.237 1.746 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363217803 531476106 /nfs/dbraw/zinc/47/61/06/531476106.db2.gz BWWOKHFKHVHOOL-INIZCTEOSA-N 1 0 396.329 1.894 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cn1)c1ccc(Cl)cc1 ZINC000537326774 531458552 /nfs/dbraw/zinc/45/85/52/531458552.db2.gz AYPAJHQLFKNVKT-OAHLLOKOSA-N 1 0 382.873 1.415 20 0 GDADRO OC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CCCOC1 ZINC000414569742 531459338 /nfs/dbraw/zinc/45/93/38/531459338.db2.gz ZSSJFJPUBCZLGF-IUODEOHRSA-N 1 0 381.274 1.907 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cc2sccc2Br)C1 ZINC000448875247 531461587 /nfs/dbraw/zinc/46/15/87/531461587.db2.gz QVODDCZVEVQAKW-LLVKDONJSA-N 1 0 388.331 1.757 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N(C)C[C@@H](O)C[NH3+])ccc1Cl ZINC000414716747 531462694 /nfs/dbraw/zinc/46/26/94/531462694.db2.gz ORSNZDLWUVTLGJ-LBPRGKRZSA-N 1 0 392.909 1.154 20 0 GDADRO CC(C)C[C@@H]([NH3+])CN1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000414734991 531462903 /nfs/dbraw/zinc/46/29/03/531462903.db2.gz LPPNMACMIJALMU-CYBMUJFWSA-N 1 0 383.543 1.371 20 0 GDADRO [NH3+]CCN(CCO)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414921077 531463756 /nfs/dbraw/zinc/46/37/56/531463756.db2.gz AQQKDHMBIOEQGK-UHFFFAOYSA-N 1 0 387.278 1.071 20 0 GDADRO CC(C)(C)c1nnc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000414967883 531464542 /nfs/dbraw/zinc/46/45/42/531464542.db2.gz HXJIABIMKGGZKZ-SECBINFHSA-N 1 0 380.440 1.793 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2CNCCO2)CC1 ZINC000415092929 531465345 /nfs/dbraw/zinc/46/53/45/531465345.db2.gz HEBXOQZSRUEBCZ-INIZCTEOSA-N 1 0 396.329 1.940 20 0 GDADRO COc1cc(C[NH2+]C[C@H]2CNCCO2)cc(I)c1OC ZINC000415098079 531465355 /nfs/dbraw/zinc/46/53/55/531465355.db2.gz UVHSQAYXNDINJL-LLVKDONJSA-N 1 0 392.237 1.386 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449130287 531466119 /nfs/dbraw/zinc/46/61/19/531466119.db2.gz YGRFZVWXZNBABG-UHFFFAOYSA-N 1 0 386.265 1.759 20 0 GDADRO COc1cc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)ccc1NS(C)(=O)=O ZINC000415160104 531466698 /nfs/dbraw/zinc/46/66/98/531466698.db2.gz KCGSQKPAIZHQCG-LBPRGKRZSA-N 1 0 378.401 1.185 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)c2c(c1)OCCO2 ZINC000362993237 531466962 /nfs/dbraw/zinc/46/69/62/531466962.db2.gz DJUQQPSNXNAGMF-CHWSQXEVSA-N 1 0 397.269 1.813 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000415170170 531467102 /nfs/dbraw/zinc/46/71/02/531467102.db2.gz KPIURWUPOJPIDR-CYBMUJFWSA-N 1 0 376.429 1.957 20 0 GDADRO COC(=O)Cn1cc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)nn1 ZINC000449153182 531467301 /nfs/dbraw/zinc/46/73/01/531467301.db2.gz IRMGXQUSZXPHLU-LBPRGKRZSA-N 1 0 394.273 1.582 20 0 GDADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCn2cc(Br)cn2)cc1 ZINC000415234996 531467874 /nfs/dbraw/zinc/46/78/74/531467874.db2.gz ZINVVTHXVZRSOF-LLVKDONJSA-N 1 0 394.273 1.762 20 0 GDADRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc(I)cc3)C2=O)cn1 ZINC000449157777 531467944 /nfs/dbraw/zinc/46/79/44/531467944.db2.gz RDKQVPWVSDIVMJ-CQSZACIVSA-N 1 0 396.232 1.920 20 0 GDADRO C[C@H](C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449304284 531468407 /nfs/dbraw/zinc/46/84/07/531468407.db2.gz AJEFDNQVAPMPAT-KMFMINBZSA-N 1 0 388.555 1.501 20 0 GDADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCCn1cc(Br)cn1 ZINC000415231913 531468490 /nfs/dbraw/zinc/46/84/90/531468490.db2.gz SFHCFRBYIKBBMI-UHFFFAOYSA-N 1 0 394.273 1.510 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000415267702 531470509 /nfs/dbraw/zinc/47/05/09/531470509.db2.gz JKHVIXDEOGOFFX-UHFFFAOYSA-N 1 0 388.237 1.794 20 0 GDADRO COc1cc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000415276910 531470653 /nfs/dbraw/zinc/47/06/53/531470653.db2.gz WKZPVXMLGIDFNL-ZDUSSCGKSA-N 1 0 383.290 1.969 20 0 GDADRO O=S1(=O)CC[C@@](O)(C[NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000449409328 531470719 /nfs/dbraw/zinc/47/07/19/531470719.db2.gz NXBHSQSUDXFIPI-MBRGGSNBSA-N 1 0 392.290 1.973 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C1 ZINC000415293145 531471299 /nfs/dbraw/zinc/47/12/99/531471299.db2.gz CUQSNQNNLDHHDS-CYBMUJFWSA-N 1 0 382.917 1.652 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[NH2+]CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415286904 531471706 /nfs/dbraw/zinc/47/17/06/531471706.db2.gz VYMCDBLPWNMKLE-UHFFFAOYSA-N 1 0 382.251 1.858 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCCCN2CC[NH2+]CC2)ccc1Br ZINC000415280894 531471765 /nfs/dbraw/zinc/47/17/65/531471765.db2.gz JXOYNVCHDSOIHU-UHFFFAOYSA-N 1 0 383.290 1.108 20 0 GDADRO COCC[NH+]1CCC(NCc2nn(C)cc2I)CC1 ZINC000449606860 531472889 /nfs/dbraw/zinc/47/28/89/531472889.db2.gz SOCOSXPHJNLYFJ-UHFFFAOYSA-N 1 0 378.258 1.225 20 0 GDADRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449605899 531472910 /nfs/dbraw/zinc/47/29/10/531472910.db2.gz XGOWXCQFJMSLFO-GHMZBOCLSA-N 1 0 386.290 1.577 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2OC(F)(F)F)C1 ZINC000415294376 531472871 /nfs/dbraw/zinc/47/28/71/531472871.db2.gz ODRYCAYJRBTGBC-MRVPVSSYSA-N 1 0 396.163 1.846 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415360883 531479150 /nfs/dbraw/zinc/47/91/50/531479150.db2.gz MSZYRFTXXJJNOU-UHFFFAOYSA-N 1 0 379.052 1.486 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)NCCC[NH3+])c1 ZINC000415361351 531479209 /nfs/dbraw/zinc/47/92/09/531479209.db2.gz NLLZWUPTTMANSH-UHFFFAOYSA-N 1 0 377.182 1.548 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415360013 531479224 /nfs/dbraw/zinc/47/92/24/531479224.db2.gz LDAOEESGLTYQLJ-UHFFFAOYSA-N 1 0 381.601 1.219 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415366931 531479732 /nfs/dbraw/zinc/47/97/32/531479732.db2.gz ZPONJOQBXKXVKM-UHFFFAOYSA-N 1 0 384.152 1.622 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000415367190 531479954 /nfs/dbraw/zinc/47/99/54/531479954.db2.gz XVSHWONZIMIZCX-GFCCVEGCSA-N 1 0 387.221 1.440 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415378431 531480366 /nfs/dbraw/zinc/48/03/66/531480366.db2.gz HTONVGIGLGBBFH-UHFFFAOYSA-N 1 0 386.246 1.418 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415373455 531480879 /nfs/dbraw/zinc/48/08/79/531480879.db2.gz HXECOFGQQVNWSU-LLVKDONJSA-N 1 0 382.251 1.986 20 0 GDADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000363376946 531482662 /nfs/dbraw/zinc/48/26/62/531482662.db2.gz UAADPZNJFCPKMY-AAEUAGOBSA-N 1 0 380.388 1.727 20 0 GDADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363370561 531482756 /nfs/dbraw/zinc/48/27/56/531482756.db2.gz LBQZGLLPVHXXBQ-GJZGRUSLSA-N 1 0 378.416 1.988 20 0 GDADRO COC(=O)c1cc(NC(=O)NC[C@H]2C[NH2+]CCN2C)ccc1Br ZINC000415402223 531483123 /nfs/dbraw/zinc/48/31/23/531483123.db2.gz IPBBRTXXDRMHLP-LLVKDONJSA-N 1 0 385.262 1.261 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415404891 531483520 /nfs/dbraw/zinc/48/35/20/531483520.db2.gz NJRICMWEZZZQFT-QMMMGPOBSA-N 1 0 376.201 1.782 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415412815 531483901 /nfs/dbraw/zinc/48/39/01/531483901.db2.gz NHMFXGXKWAFBQE-LLVKDONJSA-N 1 0 394.273 1.545 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415428551 531484951 /nfs/dbraw/zinc/48/49/51/531484951.db2.gz ACYSXVAGGHGVMC-AWEZNQCLSA-N 1 0 385.306 1.549 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415429784 531485066 /nfs/dbraw/zinc/48/50/66/531485066.db2.gz DVRCPIBCQISIHD-PWSUYJOCSA-N 1 0 384.274 1.900 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000415428643 531485362 /nfs/dbraw/zinc/48/53/62/531485362.db2.gz DAAIPAYTUYRKJW-QWRGUYRKSA-N 1 0 384.274 1.982 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268221406 531486292 /nfs/dbraw/zinc/48/62/92/531486292.db2.gz QLNLMSPNSMVYBW-BFQNTYOBSA-N 1 0 385.917 1.606 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)CC[C@H]1[NH3+] ZINC000415440949 531486305 /nfs/dbraw/zinc/48/63/05/531486305.db2.gz MVRMYXQHUIKSMV-XHDPSFHLSA-N 1 0 397.317 1.645 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415451332 531486732 /nfs/dbraw/zinc/48/67/32/531486732.db2.gz SMEMSIQQYKPQBP-JQWIXIFHSA-N 1 0 384.274 1.900 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cc2ccncc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000450121926 531487055 /nfs/dbraw/zinc/48/70/55/531487055.db2.gz LNHYWUHAZXKHNR-CQSZACIVSA-N 1 0 381.523 1.877 20 0 GDADRO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000488718186 531488642 /nfs/dbraw/zinc/48/86/42/531488642.db2.gz LUSXNNCXTAWTMJ-KBPBESRZSA-N 1 0 385.302 1.989 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(I)ccc1C ZINC000415547557 531493550 /nfs/dbraw/zinc/49/35/50/531493550.db2.gz GLDCOAGXALSRSM-UHFFFAOYSA-N 1 0 375.210 1.216 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CCO1 ZINC000415478551 531489770 /nfs/dbraw/zinc/48/97/70/531489770.db2.gz GBUYREXDIAABTL-LLVKDONJSA-N 1 0 381.234 1.221 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1I ZINC000415497292 531491087 /nfs/dbraw/zinc/49/10/87/531491087.db2.gz PCNSQSOPWFDVKJ-SNVBAGLBSA-N 1 0 387.221 1.440 20 0 GDADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCS[C@H]2CCCC[C@@H]21 ZINC000268282393 531491236 /nfs/dbraw/zinc/49/12/36/531491236.db2.gz BKEBIPNKILWBQA-HOTGVXAUSA-N 1 0 383.539 1.941 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCNC(C)=O ZINC000294696810 531491545 /nfs/dbraw/zinc/49/15/45/531491545.db2.gz GJBKGCVZQRVFHH-NSHDSACASA-N 1 0 386.290 1.578 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415518980 531491693 /nfs/dbraw/zinc/49/16/93/531491693.db2.gz JEIZXTWQKFPAJJ-UHFFFAOYSA-N 1 0 385.306 1.565 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(I)c1 ZINC000415528301 531491711 /nfs/dbraw/zinc/49/17/11/531491711.db2.gz RXDAPCINNBORDQ-ZJUUUORDSA-N 1 0 387.221 1.425 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415542832 531492444 /nfs/dbraw/zinc/49/24/44/531492444.db2.gz VXKFUNAYPRQWFO-UHFFFAOYSA-N 1 0 396.644 1.532 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21)C1CC1 ZINC000415541196 531492496 /nfs/dbraw/zinc/49/24/96/531492496.db2.gz QNHRZBDEHGXVCK-GFCCVEGCSA-N 1 0 377.242 1.789 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[NH2+]1 ZINC000415660898 531510778 /nfs/dbraw/zinc/51/07/78/531510778.db2.gz OJFRDILMZGBMHK-HTQZYQBOSA-N 1 0 376.201 1.923 20 0 GDADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1)[NH+](C)C ZINC000658429157 531510887 /nfs/dbraw/zinc/51/08/87/531510887.db2.gz VWQDGMKIQVRIFN-LBPRGKRZSA-N 1 0 399.333 1.906 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(OC)c(Br)c(OC)c1 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CS[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)s2)C[C@@H]1[NH+]1CCCC1 ZINC000547949899 531500450 /nfs/dbraw/zinc/50/04/50/531500450.db2.gz PWCBHOGMIMZXRQ-CMPLNLGQSA-N 1 0 375.541 1.047 20 0 GDADRO Cn1ncc(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1I ZINC000294846828 531500654 /nfs/dbraw/zinc/50/06/54/531500654.db2.gz IIXYQGVZECBCLS-UHFFFAOYSA-N 1 0 390.269 1.877 20 0 GDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(I)c[nH]1 ZINC000363710257 531503519 /nfs/dbraw/zinc/50/35/19/531503519.db2.gz CCEGEMYKXQLYGC-GFCCVEGCSA-N 1 0 389.237 1.602 20 0 GDADRO Cn1cnc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1Cl ZINC000280495076 531504231 /nfs/dbraw/zinc/50/42/31/531504231.db2.gz OYFNOWKQJYEOJB-GASCZTMLSA-N 1 0 380.901 1.826 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415626842 531505284 /nfs/dbraw/zinc/50/52/84/531505284.db2.gz RNHYOUIDIXTEAQ-ONGXEEELSA-N 1 0 381.889 1.855 20 0 GDADRO CCCOc1c(Cl)cc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1OC ZINC000294891602 531505878 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GDADRO COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC000415751144 531523615 /nfs/dbraw/zinc/52/36/15/531523615.db2.gz VTTSVGMBRXVSMO-SWLSCSKDSA-N 1 0 396.285 1.901 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000415795473 531532658 /nfs/dbraw/zinc/53/26/58/531532658.db2.gz YLKITKDGONTTFK-UHFFFAOYSA-N 1 0 384.230 1.122 20 0 GDADRO O=C(Nc1ccc(C(F)(F)F)cc1Br)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415762731 531527526 /nfs/dbraw/zinc/52/75/26/531527526.db2.gz PFGIDKJTCYXSTB-VROVMSAKSA-N 1 0 392.175 1.740 20 0 GDADRO COCC[NH2+]C1CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000582007717 531527761 /nfs/dbraw/zinc/52/77/61/531527761.db2.gz GYKRTUGVXHVWAV-UHFFFAOYSA-N 1 0 395.305 1.625 20 0 GDADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)[C@@H]2CCCOC2)CC1 ZINC000550821193 531528617 /nfs/dbraw/zinc/52/86/17/531528617.db2.gz BKSUULNXCCVAKL-IAGOWNOFSA-N 1 0 376.563 1.689 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)C(F)F ZINC000415787354 531529360 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C[C@H]1CC[N@H+](CCNC(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000611750573 531538613 /nfs/dbraw/zinc/53/86/13/531538613.db2.gz QTDYAONFEHVWAS-NSHDSACASA-N 1 0 379.262 1.496 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415833276 531538807 /nfs/dbraw/zinc/53/88/07/531538807.db2.gz MOGICKBLQKWGNK-CBAPKCEASA-N 1 0 376.201 1.909 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659081582 531538945 /nfs/dbraw/zinc/53/89/45/531538945.db2.gz GRBUBCPXVXOEIA-OIBJUYFYSA-N 1 0 376.201 1.780 20 0 GDADRO COc1cc(NC(=O)C(=O)N(C)CCC[NH3+])c(Cl)cc1Br ZINC000659076808 531539001 /nfs/dbraw/zinc/53/90/01/531539001.db2.gz GDHYDZPIQKVIBY-UHFFFAOYSA-N 1 0 378.654 1.857 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)ccc2-n2cccn2)C[C@H]1[NH3+] ZINC000415829746 531539077 /nfs/dbraw/zinc/53/90/77/531539077.db2.gz KOTYUVKAEAWRHL-ZYHUDNBSSA-N 1 0 392.257 1.379 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415829562 531539081 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COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000551741751 531545042 /nfs/dbraw/zinc/54/50/42/531545042.db2.gz JETJXAAXTBMBFT-LBPRGKRZSA-N 1 0 382.404 1.974 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415855887 531545046 /nfs/dbraw/zinc/54/50/46/531545046.db2.gz CTXDLWUQGKQZAS-UHFFFAOYSA-N 1 0 376.201 1.924 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCCO1 ZINC000415859197 531545116 /nfs/dbraw/zinc/54/51/16/531545116.db2.gz LEIFFTFJBAAKEB-LBPRGKRZSA-N 1 0 390.665 1.617 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)Oc1ccc(Br)cc1 ZINC000491055009 531545143 /nfs/dbraw/zinc/54/51/43/531545143.db2.gz DWRDBBNICYSTJT-BBRMVZONSA-N 1 0 382.302 1.723 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415863590 531545839 /nfs/dbraw/zinc/54/58/39/531545839.db2.gz LOVYKWOOCFSIHT-QMMMGPOBSA-N 1 0 394.628 1.285 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CCCO1 ZINC000415864483 531546009 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O=C(Nc1cccc(I)c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415873267 531548270 /nfs/dbraw/zinc/54/82/70/531548270.db2.gz UMUMXOOQGYEEHB-LBPRGKRZSA-N 1 0 387.221 1.488 20 0 GDADRO [NH3+]C1(CNC(=O)NCCNC(=O)c2cccc(Br)c2)CCCC1 ZINC000659448382 531548465 /nfs/dbraw/zinc/54/84/65/531548465.db2.gz URQGCMIERNBLFL-UHFFFAOYSA-N 1 0 383.290 1.750 20 0 GDADRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000582600407 531549658 /nfs/dbraw/zinc/54/96/58/531549658.db2.gz IFGHDHSXPSUKOK-AAEUAGOBSA-N 1 0 382.291 1.946 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N2CCC(O)(C[NH3+])CC2)c1Br ZINC000415889079 531549704 /nfs/dbraw/zinc/54/97/04/531549704.db2.gz WIRVEZTWQCRPPW-UHFFFAOYSA-N 1 0 388.237 1.147 20 0 GDADRO C[NH2+]Cc1ccccc1NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000415903519 531549973 /nfs/dbraw/zinc/54/99/73/531549973.db2.gz QLRRWBFZYRGHPA-LBPRGKRZSA-N 1 0 382.408 1.350 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000659685633 531553747 /nfs/dbraw/zinc/55/37/47/531553747.db2.gz SNTBZPRPAPILCY-UHFFFAOYSA-N 1 0 376.682 1.914 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415893297 531550830 /nfs/dbraw/zinc/55/08/30/531550830.db2.gz MXEDZSUFWLDVPU-NEPJUHHUSA-N 1 0 396.285 1.854 20 0 GDADRO C[NH2+]Cc1cccc(NC(=O)NCCNS(=O)(=O)c2ccc(C)s2)c1 ZINC000415941091 531551817 /nfs/dbraw/zinc/55/18/17/531551817.db2.gz GHQUIANKKXSRRM-UHFFFAOYSA-N 1 0 382.511 1.876 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659690574 531552083 /nfs/dbraw/zinc/55/20/83/531552083.db2.gz CPVVKXBSXWSYSY-UHFFFAOYSA-N 1 0 380.286 1.550 20 0 GDADRO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000415991648 531552109 /nfs/dbraw/zinc/55/21/09/531552109.db2.gz ADCFFZOJHZZGTO-CABZTGNLSA-N 1 0 382.408 1.235 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000552176621 531552485 /nfs/dbraw/zinc/55/24/85/531552485.db2.gz LUQRSCKCCVNZKA-SNVBAGLBSA-N 1 0 386.315 1.822 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Br ZINC000415797774 531532967 /nfs/dbraw/zinc/53/29/67/531532967.db2.gz WPSCUGCOLQKCDK-RISCZKNCSA-N 1 0 396.285 1.997 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415796945 531533254 /nfs/dbraw/zinc/53/32/54/531533254.db2.gz YTWJIDJRDJGIEL-VIFPVBQESA-N 1 0 394.216 1.803 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CCCCN1S(C)(=O)=O)C(C)(C)C ZINC000557868498 531533786 /nfs/dbraw/zinc/53/37/86/531533786.db2.gz PREUUJNWIPCQRG-HUUCEWRRSA-N 1 0 376.567 1.466 20 0 GDADRO C[C@@H]1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)C[C@@H]1[NH3+] ZINC000658972874 531534001 /nfs/dbraw/zinc/53/40/01/531534001.db2.gz CONYPIPXLHHXQL-PWSUYJOCSA-N 1 0 382.258 1.370 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000551108544 531534007 /nfs/dbraw/zinc/53/40/07/531534007.db2.gz IZHATWSBXDVEMX-UHFFFAOYSA-N 1 0 376.284 1.646 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000415815558 531535696 /nfs/dbraw/zinc/53/56/96/531535696.db2.gz SJQRZFPPGLMSNA-SMDDNHRTSA-N 1 0 380.286 1.972 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC[NH2+]1 ZINC000415820445 531535829 /nfs/dbraw/zinc/53/58/29/531535829.db2.gz BEOCMALRVAAHOY-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO COc1ccc(CCC(=O)NCC2(O)CC[NH+](C)CC2)c(Br)c1 ZINC000611696299 531536178 /nfs/dbraw/zinc/53/61/78/531536178.db2.gz NZZFHRKJGHMWRB-UHFFFAOYSA-N 1 0 385.302 1.963 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CCO1 ZINC000659000668 531536213 /nfs/dbraw/zinc/53/62/13/531536213.db2.gz MIXMHJGAVHVRJZ-CQSZACIVSA-N 1 0 399.289 1.352 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415817059 531536350 /nfs/dbraw/zinc/53/63/50/531536350.db2.gz YHGXZOSKHAZOSP-DTWKUNHWSA-N 1 0 386.246 1.416 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000659700984 531554803 /nfs/dbraw/zinc/55/48/03/531554803.db2.gz CENLHNUXMBYLTE-PWSUYJOCSA-N 1 0 388.299 1.502 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000659701798 531554889 /nfs/dbraw/zinc/55/48/89/531554889.db2.gz KDERUOWMISYKIK-LBPRGKRZSA-N 1 0 383.543 1.114 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)Oc1cccc(Br)c1 ZINC000659701962 531555037 /nfs/dbraw/zinc/55/50/37/531555037.db2.gz LIQPCRZWNNSTLR-ZBFVHZJFSA-N 1 0 396.285 1.282 20 0 GDADRO NC(=O)[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000416039472 531555208 /nfs/dbraw/zinc/55/52/08/531555208.db2.gz GOGTVOUOKMRFRP-UWVGGRQHSA-N 1 0 397.195 1.554 20 0 GDADRO COCCCNC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636444030 531557003 /nfs/dbraw/zinc/55/70/03/531557003.db2.gz MFZOIJOCHMFXPG-CQSZACIVSA-N 1 0 376.284 1.865 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000659713645 531557018 /nfs/dbraw/zinc/55/70/18/531557018.db2.gz GWKIWNTUUQLCFU-HNNXBMFYSA-N 1 0 385.295 1.496 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NC[C@H]1CCCC[NH2+]1)C2 ZINC000659715598 531557262 /nfs/dbraw/zinc/55/72/62/531557262.db2.gz PPUORYVSJPGBRU-CYBMUJFWSA-N 1 0 380.286 1.858 20 0 GDADRO NC(=O)C1(O)CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000295308425 531557364 /nfs/dbraw/zinc/55/73/64/531557364.db2.gz KQRVCCNNPFULJL-UHFFFAOYSA-N 1 0 391.269 1.718 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000659727253 531557770 /nfs/dbraw/zinc/55/77/70/531557770.db2.gz JNLSIAGCPSFOSV-NEPJUHHUSA-N 1 0 387.311 1.884 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1nnc(SC)s1 ZINC000552743986 531557821 /nfs/dbraw/zinc/55/78/21/531557821.db2.gz WDGNIDYXRBMNAQ-GFCCVEGCSA-N 1 0 385.559 1.647 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)Cc2c(F)cccc2Cl)C1 ZINC000451157154 531558002 /nfs/dbraw/zinc/55/80/02/531558002.db2.gz HFACIQGETCQYMC-GFCCVEGCSA-N 1 0 391.896 1.486 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000612870915 531558592 /nfs/dbraw/zinc/55/85/92/531558592.db2.gz JKEVBNJSVPYWLR-YCPHGPKFSA-N 1 0 386.290 1.351 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659740535 531559216 /nfs/dbraw/zinc/55/92/16/531559216.db2.gz CQZFQPFAROSABN-UHFFFAOYSA-N 1 0 384.249 1.415 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000659749716 531559570 /nfs/dbraw/zinc/55/95/70/531559570.db2.gz BFNNSWOOGMWSCU-UWVGGRQHSA-N 1 0 378.420 1.592 20 0 GDADRO Cc1cc(S(=O)(=O)NCCN2CCC(O)CC2)sc1Br ZINC000295333124 531562027 /nfs/dbraw/zinc/56/20/27/531562027.db2.gz MYXOPPFEJQMWMQ-UHFFFAOYSA-N 1 0 383.333 1.554 20 0 GDADRO COC[C@]1(CNC(=O)COc2ccc(F)cc2Br)CCC[NH2+]1 ZINC000583138404 531565435 /nfs/dbraw/zinc/56/54/35/531565435.db2.gz ICTDNQAUUFGQBY-OAHLLOKOSA-N 1 0 375.238 1.852 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000659708460 531554490 /nfs/dbraw/zinc/55/44/90/531554490.db2.gz RNQRCQVWXOEKSR-XPTSAGLGSA-N 1 0 386.265 1.880 20 0 GDADRO CC(C)(C)n1cc(Br)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000612659412 531554697 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1.394 20 0 GDADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000268846593 531577370 /nfs/dbraw/zinc/57/73/70/531577370.db2.gz JAHCMXPDUUEECE-MRVPVSSYSA-N 1 0 391.291 1.237 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000583430621 531576982 /nfs/dbraw/zinc/57/69/82/531576982.db2.gz SGSNNWWQJHZDSI-OLZOCXBDSA-N 1 0 388.921 1.319 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000583498652 531580672 /nfs/dbraw/zinc/58/06/72/531580672.db2.gz HHZBEIZKSPIZSX-WDEREUQCSA-N 1 0 379.935 1.608 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1csc(Br)c1 ZINC000281119969 531583461 /nfs/dbraw/zinc/58/34/61/531583461.db2.gz CCIVSOXOMQKBTQ-UHFFFAOYSA-N 1 0 390.347 1.733 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000416373271 531584536 /nfs/dbraw/zinc/58/45/36/531584536.db2.gz ONCJSENOLPMVAI-GJZGRUSLSA-N 1 0 385.917 1.913 20 0 GDADRO C[C@H]1CN(C(=O)c2nn(C)cc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000494131943 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20 0 GDADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638226744 531649228 /nfs/dbraw/zinc/64/92/28/531649228.db2.gz JDSGGBQRIIDDHU-GFCCVEGCSA-N 1 0 378.274 1.445 20 0 GDADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638248490 531650404 /nfs/dbraw/zinc/65/04/04/531650404.db2.gz PBNKEKUGQNNYFW-SOUVJXGZSA-N 1 0 398.276 1.756 20 0 GDADRO O=C(c1cc(Br)c2nccn2c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638242346 531650498 /nfs/dbraw/zinc/65/04/98/531650498.db2.gz YAULURIMQKVPLC-CYBMUJFWSA-N 1 0 378.274 1.217 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cc(Br)ccn2)C1 ZINC000499866601 531651354 /nfs/dbraw/zinc/65/13/54/531651354.db2.gz UKWBHGNPBVGIBX-LLVKDONJSA-N 1 0 384.278 1.553 20 0 GDADRO O=C(CN1CC[NH2+]CC1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000638409253 531651779 /nfs/dbraw/zinc/65/17/79/531651779.db2.gz WYUYINSPZAGFRL-UHFFFAOYSA-N 1 0 377.286 1.720 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000638403203 531652321 /nfs/dbraw/zinc/65/23/21/531652321.db2.gz RSQDEXPVJSIYCN-MGPQQGTHSA-N 1 0 382.448 1.448 20 0 GDADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638415553 531652876 /nfs/dbraw/zinc/65/28/76/531652876.db2.gz IGHUTANXROLYBL-AWEZNQCLSA-N 1 0 391.273 1.848 20 0 GDADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccccc1I ZINC000560505971 531652980 /nfs/dbraw/zinc/65/29/80/531652980.db2.gz WWLLVSQSSOWTDG-OAHLLOKOSA-N 1 0 386.233 1.478 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C[C@H]1[NH+]1CCCC1 ZINC000281729994 531653866 /nfs/dbraw/zinc/65/38/66/531653866.db2.gz XLVVJNQTWSALTM-HUUCEWRRSA-N 1 0 387.502 1.125 20 0 GDADRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cccc(I)c1 ZINC000416509755 531656318 /nfs/dbraw/zinc/65/63/18/531656318.db2.gz SIRKWTCDHWSGEV-UHFFFAOYSA-N 1 0 382.267 1.910 20 0 GDADRO CSc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O)OCCO2 ZINC000500493652 531659252 /nfs/dbraw/zinc/65/92/52/531659252.db2.gz DQABPUPQKKBMOF-GXTWGEPZSA-N 1 0 386.539 1.987 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)c1ncc(Br)cc1Br ZINC000638615883 531660146 /nfs/dbraw/zinc/66/01/46/531660146.db2.gz GFZHMLXTXOPBGQ-MRVPVSSYSA-N 1 0 379.052 1.325 20 0 GDADRO O=C(c1ccc(I)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860562 531660505 /nfs/dbraw/zinc/66/05/05/531660505.db2.gz IHCGKPULQCEOQV-KBPBESRZSA-N 1 0 386.233 1.572 20 0 GDADRO [NH3+]CC1(NC(=O)c2ncc(Br)cc2Br)CCOCC1 ZINC000638630726 531663106 /nfs/dbraw/zinc/66/31/06/531663106.db2.gz HEVGOKUKUIPSIE-UHFFFAOYSA-N 1 0 393.079 1.844 20 0 GDADRO CCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@@H]1CC[N@H+](C)C1 ZINC000617557956 531663477 /nfs/dbraw/zinc/66/34/77/531663477.db2.gz XHLAUNNPGMJUCD-CYBMUJFWSA-N 1 0 393.285 1.712 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1(C)C ZINC000281816982 531666018 /nfs/dbraw/zinc/66/60/18/531666018.db2.gz QRNJGCILBAZIMX-UHFFFAOYSA-N 1 0 387.933 1.499 20 0 GDADRO C[C@@H](NS(C)(=O)=O)C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000617866595 531666897 /nfs/dbraw/zinc/66/68/97/531666897.db2.gz RQKHENWFFHJNKR-SNVBAGLBSA-N 1 0 382.511 1.767 20 0 GDADRO O=C([C@H]1C[NH2+]CCO1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638841793 531667989 /nfs/dbraw/zinc/66/79/89/531667989.db2.gz DWGBFEVQVIFEIU-OAHLLOKOSA-N 1 0 381.270 1.832 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H](CC[NH3+])C2)s1 ZINC000281867601 531672850 /nfs/dbraw/zinc/67/28/50/531672850.db2.gz DYLQNJLPEJFVFI-LSDHHAIUSA-N 1 0 385.555 1.797 20 0 GDADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000618174224 531675494 /nfs/dbraw/zinc/67/54/94/531675494.db2.gz RMHZVZLOZRDILX-MRXNPFEDSA-N 1 0 387.933 1.702 20 0 GDADRO CN[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccc(Cl)c1Cl ZINC000662405210 531675586 /nfs/dbraw/zinc/67/55/86/531675586.db2.gz MALCCMHIDOXTFS-ABAIWWIYSA-N 1 0 387.311 1.567 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000638939717 531676212 /nfs/dbraw/zinc/67/62/12/531676212.db2.gz SOWZWHFAQYHAGW-KOLCDFICSA-N 1 0 390.303 1.261 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000561011336 531676532 /nfs/dbraw/zinc/67/65/32/531676532.db2.gz NNBVSAUVQQEJIP-ZDUSSCGKSA-N 1 0 382.507 1.729 20 0 GDADRO COc1ccc(CCC(=O)N(C)CCN2CC[NH2+]CC2)c(Br)c1 ZINC000662411322 531677330 /nfs/dbraw/zinc/67/73/30/531677330.db2.gz ANGJXGRAUYYPEC-UHFFFAOYSA-N 1 0 384.318 1.754 20 0 GDADRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638951262 531678386 /nfs/dbraw/zinc/67/83/86/531678386.db2.gz SPUHFIUIALWVFC-AWEZNQCLSA-N 1 0 390.347 1.869 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000662442013 531679725 /nfs/dbraw/zinc/67/97/25/531679725.db2.gz HKICMPFCYRBOAB-JSGCOSHPSA-N 1 0 387.889 1.427 20 0 GDADRO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(S(C)(=O)=O)cc1 ZINC000639017156 531680057 /nfs/dbraw/zinc/68/00/57/531680057.db2.gz AWVPISXJKGAUET-ABAIWWIYSA-N 1 0 378.416 1.852 20 0 GDADRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000639024532 531680819 /nfs/dbraw/zinc/68/08/19/531680819.db2.gz PTTYESIFROKAKZ-NSHDSACASA-N 1 0 399.925 1.844 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000618306985 531681613 /nfs/dbraw/zinc/68/16/13/531681613.db2.gz RHWQIJDGLRRONY-CQSZACIVSA-N 1 0 398.301 1.404 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)COc1cc(Cl)ccc1Cl ZINC000618303310 531681720 /nfs/dbraw/zinc/68/17/20/531681720.db2.gz CIDRSGVHFLVMBT-UHFFFAOYSA-N 1 0 376.284 1.851 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000662514863 531681934 /nfs/dbraw/zinc/68/19/34/531681934.db2.gz CAXPBBKHYVDWIX-HOTGVXAUSA-N 1 0 397.313 1.977 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1ccc(Br)cc1F ZINC000618300475 531682756 /nfs/dbraw/zinc/68/27/56/531682756.db2.gz UOKKOGHXKROTDZ-UHFFFAOYSA-N 1 0 388.281 1.609 20 0 GDADRO COc1ccc(Br)c(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000618302350 531683053 /nfs/dbraw/zinc/68/30/53/531683053.db2.gz LVWLZPSICQIFID-UHFFFAOYSA-N 1 0 386.290 1.550 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(Cc2nnc(S(C)(=O)=O)s2)CC1 ZINC000503196544 531685302 /nfs/dbraw/zinc/68/53/02/531685302.db2.gz BFMHSHYXMMAQIO-UHFFFAOYSA-N 1 0 390.575 1.512 20 0 GDADRO CC(=O)NCCC[N@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000503190380 531685384 /nfs/dbraw/zinc/68/53/84/531685384.db2.gz PXCOYVUVPCHZDU-UHFFFAOYSA-N 1 0 376.320 1.975 20 0 GDADRO CC(C)[NH+](CCN(C)C(=O)NCC1CCN(S(C)(=O)=O)CC1)C(C)C ZINC000503164890 531686194 /nfs/dbraw/zinc/68/61/94/531686194.db2.gz NRERVSHJVXNKRY-UHFFFAOYSA-N 1 0 376.567 1.418 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000561229927 531686586 /nfs/dbraw/zinc/68/65/86/531686586.db2.gz RJWLKXNUPYEMJY-JKSUJKDBSA-N 1 0 394.313 1.879 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)CCO1 ZINC000662555274 531687742 /nfs/dbraw/zinc/68/77/42/531687742.db2.gz UCKIFLOUTDBUGO-SNVBAGLBSA-N 1 0 392.091 1.940 20 0 GDADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)CC1(O)CCOCC1 ZINC000639610701 531696415 /nfs/dbraw/zinc/69/64/15/531696415.db2.gz CWFCOHNZOCNBRB-LBPRGKRZSA-N 1 0 394.331 1.597 20 0 GDADRO CN(CC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000561396766 531696731 /nfs/dbraw/zinc/69/67/31/531696731.db2.gz YGABOAHYVDEFMI-UHFFFAOYSA-N 1 0 375.535 1.501 20 0 GDADRO C[C@@H]1CN(C2CCOCC2)CCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000365955080 531697086 /nfs/dbraw/zinc/69/70/86/531697086.db2.gz MNWVSSICLSCYMA-GFCCVEGCSA-N 1 0 378.445 1.022 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000504042315 531698139 /nfs/dbraw/zinc/69/81/39/531698139.db2.gz LTVYDPBJJALTJH-JTQLQIEISA-N 1 0 380.873 1.007 20 0 GDADRO O=C1CO[C@H]2CC[N@@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C[C@@H]2N1 ZINC000639668253 531698526 /nfs/dbraw/zinc/69/85/26/531698526.db2.gz GUWIWAJMEACIGG-QEJZJMRPSA-N 1 0 375.252 1.322 20 0 GDADRO N[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1Br ZINC000662569751 531689557 /nfs/dbraw/zinc/68/95/57/531689557.db2.gz UYSOGRPNUJORGY-PMPSAXMXSA-N 1 0 382.302 1.804 20 0 GDADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000662567104 531689659 /nfs/dbraw/zinc/68/96/59/531689659.db2.gz ZTWIJIIFWABMJU-VXGBXAGGSA-N 1 0 380.246 1.214 20 0 GDADRO N[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000662710801 531693099 /nfs/dbraw/zinc/69/30/99/531693099.db2.gz ZFGPHPKAYQXWSE-CZUORRHYSA-N 1 0 382.302 1.818 20 0 GDADRO C[C@]12C[N@H+](Cc3cc4c(cc3Br)OCCO4)C[C@@]1(C)C(=O)NC2=O ZINC000639946035 531710277 /nfs/dbraw/zinc/71/02/77/531710277.db2.gz BWNRRNPLFORGPY-CALCHBBNSA-N 1 0 395.253 1.705 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639948160 531710982 /nfs/dbraw/zinc/71/09/82/531710982.db2.gz AAFPXXRNDBQGGT-PZDALLCQSA-N 1 0 394.269 1.761 20 0 GDADRO NS(=O)(=O)c1cc(F)c(N[C@@H]2CCN(C3CC3)C2)c(Br)c1 ZINC000663426046 531711093 /nfs/dbraw/zinc/71/10/93/531711093.db2.gz YYSOJWMJOZXPKL-MRVPVSSYSA-N 1 0 378.267 1.884 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000662969505 531704567 /nfs/dbraw/zinc/70/45/67/531704567.db2.gz QIPYQNWMRQFDLM-UHFFFAOYSA-N 1 0 387.311 1.838 20 0 GDADRO CCN(CCNS(=O)(=O)c1cnc(NC(C)=O)s1)CCC(F)(F)F ZINC000561534607 531707098 /nfs/dbraw/zinc/70/70/98/531707098.db2.gz SPAVSJALHPGGEB-UHFFFAOYSA-N 1 0 388.437 1.654 20 0 GDADRO CN(C1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1)S(C)(=O)=O ZINC000269666193 531708043 /nfs/dbraw/zinc/70/80/43/531708043.db2.gz YYBQOOUBKUMORB-AWEZNQCLSA-N 1 0 376.906 1.436 20 0 GDADRO CNS(=O)(=O)CCC[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639918280 531708568 /nfs/dbraw/zinc/70/85/68/531708568.db2.gz LQJUMZFGGVPSNY-ZDUSSCGKSA-N 1 0 385.313 1.604 20 0 GDADRO C[C@@H](O)CN1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000640301408 531732296 /nfs/dbraw/zinc/73/22/96/531732296.db2.gz HIRIAIDXVLDNDS-VHSXEESVSA-N 1 0 383.802 2.018 20 0 GDADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@]2(CCSC2)C1)S(C)(=O)=O ZINC000451977603 531732587 /nfs/dbraw/zinc/73/25/87/531732587.db2.gz NNAIQXGHZYGDLT-KRWDZBQOSA-N 1 0 391.603 1.382 20 0 GDADRO CC(C)[C@H]1CN(C(=O)Nc2nc3cc(Br)ccn3n2)CC[N@@H+]1C ZINC000640219894 531726451 /nfs/dbraw/zinc/72/64/51/531726451.db2.gz OIRAIAWKWAHHBR-GFCCVEGCSA-N 1 0 381.278 2.296 20 0 GDADRO CS(=O)(=O)[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000282266449 531729491 /nfs/dbraw/zinc/72/94/91/531729491.db2.gz UUVLEGACEFNWDX-INIZCTEOSA-N 1 0 385.555 1.789 20 0 GDADRO CCN(C(=O)[C@H](C)N(C)CC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000505880486 531730031 /nfs/dbraw/zinc/73/00/31/531730031.db2.gz UXWGCLQCAVQYOY-DLBZAZTESA-N 1 0 375.579 1.461 20 0 GDADRO CO[C@H]1CN(CC(=O)Nc2ccc(Br)cc2F)[C@@](C)(CO)C1 ZINC000640003059 531715442 /nfs/dbraw/zinc/71/54/42/531715442.db2.gz MYQMPMPEJLQBFV-IAQYHMDHSA-N 1 0 375.238 1.998 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)cc1Cl ZINC000269712544 531721353 /nfs/dbraw/zinc/72/13/53/531721353.db2.gz AAYZZHIRZVWIOZ-UHFFFAOYSA-N 1 0 393.868 1.173 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1Br ZINC000640163660 531722736 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Cn1cc(Br)c(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000640316135 531741577 /nfs/dbraw/zinc/74/15/77/531741577.db2.gz CVNGQKAMCYQWMU-LBPRGKRZSA-N 1 0 386.294 1.901 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1Br ZINC000416891161 531744884 /nfs/dbraw/zinc/74/48/84/531744884.db2.gz MXHNZAGLPPHIFV-YPMHNXCESA-N 1 0 385.306 1.722 20 0 GDADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cn1 ZINC000562311615 531745566 /nfs/dbraw/zinc/74/55/66/531745566.db2.gz UODSGPUGZICOLR-HIFRSBDPSA-N 1 0 397.317 1.428 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366535654 531755983 /nfs/dbraw/zinc/75/59/83/531755983.db2.gz PRJZLGNOOYIEQB-HUUCEWRRSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1 ZINC000562465513 531756848 /nfs/dbraw/zinc/75/68/48/531756848.db2.gz JDCOMCCKKCBLES-SNVBAGLBSA-N 1 0 390.303 1.168 20 0 GDADRO COC[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCCO1 ZINC000562452694 531757056 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CCN(CCC[NH+](C)C)S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641448319 531823954 /nfs/dbraw/zinc/82/39/54/531823954.db2.gz FGVCWUPXTZHPMJ-UHFFFAOYSA-N 1 0 390.307 1.454 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000418416026 531824455 /nfs/dbraw/zinc/82/44/55/531824455.db2.gz UZSPDLQYIHRITA-CQSZACIVSA-N 1 0 388.921 1.339 20 0 GDADRO CCC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000418480119 531826058 /nfs/dbraw/zinc/82/60/58/531826058.db2.gz QHXTZNIIDVNTPE-UHFFFAOYSA-N 1 0 388.559 1.380 20 0 GDADRO COc1ncc(Br)c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000641463225 531826338 /nfs/dbraw/zinc/82/63/38/531826338.db2.gz JQPSWLJWBGYLFQ-PBWFPOADSA-N 1 0 396.333 1.995 20 0 GDADRO O=C(NCC1C[NH2+]C1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000418483072 531826368 /nfs/dbraw/zinc/82/63/68/531826368.db2.gz FIFCWRKDFMSOFG-UHFFFAOYSA-N 1 0 385.281 1.635 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000418475441 531826699 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COc1ccc(Br)c([C@H](CO)N(C)C(=O)NC2CC[NH2+]CC2)c1 ZINC000418312262 531821799 /nfs/dbraw/zinc/82/17/99/531821799.db2.gz SOXOZOBUNTXAOM-HNNXBMFYSA-N 1 0 386.290 1.885 20 0 GDADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000367368687 531832551 /nfs/dbraw/zinc/83/25/51/531832551.db2.gz VZKFKQQDNXIKLU-HUUCEWRRSA-N 1 0 378.535 1.673 20 0 GDADRO C[C@H](CN(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1nccs1 ZINC000418618281 531832882 /nfs/dbraw/zinc/83/28/82/531832882.db2.gz OGHXFVZKPNDIMC-NEPJUHHUSA-N 1 0 379.452 1.724 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000624176304 531833639 /nfs/dbraw/zinc/83/36/39/531833639.db2.gz IAKDWLMQDJJHJP-PWSUYJOCSA-N 1 0 392.319 1.078 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000418688909 531834418 /nfs/dbraw/zinc/83/44/18/531834418.db2.gz BIKYJVOGBWBLSI-MNOVXSKESA-N 1 0 398.305 1.940 20 0 GDADRO C[C@@H](NC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)[C@H](C)[NH3+] ZINC000418703514 531834606 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C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418835785 531849599 /nfs/dbraw/zinc/84/95/99/531849599.db2.gz TVSOXMDAUWYCPE-FATJJJSSSA-N 1 0 380.286 1.535 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418837405 531850540 /nfs/dbraw/zinc/85/05/40/531850540.db2.gz STXJURIVDINRMW-SOUVJXGZSA-N 1 0 380.286 1.632 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418838778 531850685 /nfs/dbraw/zinc/85/06/85/531850685.db2.gz BQZWZVIRXZSTBS-YWPYICTPSA-N 1 0 382.302 1.611 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000418837597 531850888 /nfs/dbraw/zinc/85/08/88/531850888.db2.gz SXCYPOWQAONUPA-PFSRBDOWSA-N 1 0 380.286 1.807 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000418844405 531851254 /nfs/dbraw/zinc/85/12/54/531851254.db2.gz MDSIADBBLIKGOP-LBPRGKRZSA-N 1 0 384.318 1.940 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418842490 531851458 /nfs/dbraw/zinc/85/14/58/531851458.db2.gz GYCPBXMJLMZZRG-GFCCVEGCSA-N 1 0 386.265 1.457 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418844419 531851921 /nfs/dbraw/zinc/85/19/21/531851921.db2.gz MHLPNXZMOGZSQA-UHFFFAOYSA-N 1 0 381.274 1.443 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1cc(F)c(Cl)cc1Cl ZINC000418848373 531852815 /nfs/dbraw/zinc/85/28/15/531852815.db2.gz LKFMDIYSKRYOFZ-DTWKUNHWSA-N 1 0 378.231 1.414 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000418847639 531852990 /nfs/dbraw/zinc/85/29/90/531852990.db2.gz VXJPDGYEAZXDNX-LALPHHSUSA-N 1 0 382.302 1.692 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418850456 531853927 /nfs/dbraw/zinc/85/39/27/531853927.db2.gz QFNHUMXIYAOJBS-YGRLFVJLSA-N 1 0 386.265 1.361 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418852055 531854639 /nfs/dbraw/zinc/85/46/39/531854639.db2.gz ULUWUSGTCBLVOH-QGZVFWFLSA-N 1 0 398.276 1.459 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000283348106 531855002 /nfs/dbraw/zinc/85/50/02/531855002.db2.gz YYSIPTOZKAAZFW-CYBMUJFWSA-N 1 0 390.527 1.204 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000418787362 531840374 /nfs/dbraw/zinc/84/03/74/531840374.db2.gz UEHPHXSELPNUJQ-BETUJISGSA-N 1 0 396.285 1.427 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000418785900 531840509 /nfs/dbraw/zinc/84/05/09/531840509.db2.gz RHMYCTGWAUFUBM-HNNXBMFYSA-N 1 0 398.301 1.708 20 0 GDADRO NS(=O)(=O)c1sc(Cl)cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000283218898 531840770 /nfs/dbraw/zinc/84/07/70/531840770.db2.gz ARQVMGVOXYOVGA-NSHDSACASA-N 1 0 391.946 1.997 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000418787644 531841027 /nfs/dbraw/zinc/84/10/27/531841027.db2.gz UJRPKJBOTGMDRP-OLZOCXBDSA-N 1 0 396.285 1.427 20 0 GDADRO Cc1c(S(=O)(=O)NCC2([NH3+])CCOCC2)cnn1-c1ccc(Cl)cc1 ZINC000624386756 531840921 /nfs/dbraw/zinc/84/09/21/531840921.db2.gz WEFPXPVZWOAFCW-UHFFFAOYSA-N 1 0 384.889 1.620 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000624390104 531841025 /nfs/dbraw/zinc/84/10/25/531841025.db2.gz VDMBPJGJVJTLAX-FZMZJTMJSA-N 1 0 379.404 1.793 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)NCc1cc(Br)ccc1Br ZINC000418794488 531841466 /nfs/dbraw/zinc/84/14/66/531841466.db2.gz BJJAOSVHTRPTFR-UHFFFAOYSA-N 1 0 393.079 1.163 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1Br ZINC000624405108 531842685 /nfs/dbraw/zinc/84/26/85/531842685.db2.gz BYWHAFFLKXYSQP-VHSXEESVSA-N 1 0 393.303 1.885 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418813148 531844414 /nfs/dbraw/zinc/84/44/14/531844414.db2.gz SPJKTZSXMPZKTD-LHAJWOIZSA-N 1 0 398.276 1.675 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000418811032 531844630 /nfs/dbraw/zinc/84/46/30/531844630.db2.gz POMLFFPGANWDLA-XDYICZGBSA-N 1 0 398.276 1.817 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000418813930 531844638 /nfs/dbraw/zinc/84/46/38/531844638.db2.gz UQPPAYITVKFZNA-SWLSCSKDSA-N 1 0 398.276 1.758 20 0 GDADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000641624856 531844723 /nfs/dbraw/zinc/84/47/23/531844723.db2.gz OZXJGZNGIGJQAW-ZBFHGGJFSA-N 1 0 380.576 1.193 20 0 GDADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000641623189 531845495 /nfs/dbraw/zinc/84/54/95/531845495.db2.gz GBVRETNWTKKAOR-PMPSAXMXSA-N 1 0 380.576 1.193 20 0 GDADRO CC(C)[C@@](C)([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)C(N)=O ZINC000563479592 531846247 /nfs/dbraw/zinc/84/62/47/531846247.db2.gz KEKFHEMYUFTQBU-CQSZACIVSA-N 1 0 376.320 1.959 20 0 GDADRO NCC(F)(F)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418823572 531846378 /nfs/dbraw/zinc/84/63/78/531846378.db2.gz ILRZTNDQQUGOAW-GXSJLCMTSA-N 1 0 376.201 1.131 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418823331 531846617 /nfs/dbraw/zinc/84/66/17/531846617.db2.gz SAJVIEBXARZHQN-FUNVUKJBSA-N 1 0 384.249 1.604 20 0 GDADRO COC1(CS(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)CCOCC1 ZINC000593584390 531846883 /nfs/dbraw/zinc/84/68/83/531846883.db2.gz MZQDEJQVYYVXRZ-GJZGRUSLSA-N 1 0 378.560 1.023 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000418828369 531847552 /nfs/dbraw/zinc/84/75/52/531847552.db2.gz MKVGDTGYBZYCRF-AVGNSLFASA-N 1 0 398.276 1.771 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418828970 531848241 /nfs/dbraw/zinc/84/82/41/531848241.db2.gz MRINRMLLLUHYKG-OSAQELSMSA-N 1 0 380.286 1.680 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(F)cc3Br)C[C@H]21 ZINC000418824533 531848399 /nfs/dbraw/zinc/84/83/99/531848399.db2.gz SSYYDXBUNJXJHF-NJZAAPMLSA-N 1 0 398.276 1.790 20 0 GDADRO C[NH+](C)C[C@H]1CCCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000298081170 531848502 /nfs/dbraw/zinc/84/85/02/531848502.db2.gz HPAGOCMXWYWBSL-LLVKDONJSA-N 1 0 394.324 1.824 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000595121706 531866255 /nfs/dbraw/zinc/86/62/55/531866255.db2.gz FHZLSPQBUAYCAH-VXGBXAGGSA-N 1 0 384.351 1.552 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cccc(I)c2)CCCC1 ZINC000595120234 531866638 /nfs/dbraw/zinc/86/66/38/531866638.db2.gz TUXLSPCNFSEWGS-UHFFFAOYSA-N 1 0 380.251 1.841 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000418938642 531868009 /nfs/dbraw/zinc/86/80/09/531868009.db2.gz HAPPXSHXDIVEAS-OAHLLOKOSA-N 1 0 380.286 1.750 20 0 GDADRO O=C(NCc1ccc(Br)cc1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418943312 531868987 /nfs/dbraw/zinc/86/89/87/531868987.db2.gz YNMPGQAWMBPTAD-UHFFFAOYSA-N 1 0 380.286 1.667 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418857029 531855720 /nfs/dbraw/zinc/85/57/20/531855720.db2.gz QWUHKXZODBSCAB-KGLIPLIRSA-N 1 0 380.286 1.442 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000418857368 531855733 /nfs/dbraw/zinc/85/57/33/531855733.db2.gz YZNJYQXINCZIHP-JTQLQIEISA-N 1 0 391.274 1.331 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000418860370 531857011 /nfs/dbraw/zinc/85/70/11/531857011.db2.gz DXMOWANFOAEDOM-QWHCGFSZSA-N 1 0 395.301 1.094 20 0 GDADRO CC1(CNC(=O)C(=O)NCCOc2cccc(Br)c2)CC[NH2+]CC1 ZINC000418945317 531869056 /nfs/dbraw/zinc/86/90/56/531869056.db2.gz JTJIUTCJDMMYEH-UHFFFAOYSA-N 1 0 398.301 1.450 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418863946 531857414 /nfs/dbraw/zinc/85/74/14/531857414.db2.gz IQAQEIQCGJCQHP-OLZOCXBDSA-N 1 0 385.295 1.557 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418861376 531857663 /nfs/dbraw/zinc/85/76/63/531857663.db2.gz FBGMIOYMAZAVND-YPMHNXCESA-N 1 0 387.311 1.884 20 0 GDADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)C(=O)N1CCC[NH2+]CC1 ZINC000642327636 531858793 /nfs/dbraw/zinc/85/87/93/531858793.db2.gz RYHKTRMZDKNUFB-ZDUSSCGKSA-N 1 0 382.258 1.211 20 0 GDADRO CC1(c2ccc(Br)cc2)CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000563648512 531859371 /nfs/dbraw/zinc/85/93/71/531859371.db2.gz LVFFPHGNWWLNKB-UHFFFAOYSA-N 1 0 380.286 1.417 20 0 GDADRO O=C(N[C@H](CC(F)(F)F)c1ccc(Br)cc1)C(=O)NC1C[NH2+]C1 ZINC000642495857 531859481 /nfs/dbraw/zinc/85/94/81/531859481.db2.gz XKGSHWBFUHYQJN-LLVKDONJSA-N 1 0 394.191 1.647 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642687334 531862415 /nfs/dbraw/zinc/86/24/15/531862415.db2.gz NVPZKNMSKQZTIM-UHFFFAOYSA-N 1 0 384.274 1.414 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2cc(Br)ccc2F)CC[C@H]1[NH3+] ZINC000418922515 531862812 /nfs/dbraw/zinc/86/28/12/531862812.db2.gz KYONVTWXSNJTMO-IINYFYTJSA-N 1 0 386.265 1.443 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000642777582 531863369 /nfs/dbraw/zinc/86/33/69/531863369.db2.gz LXRUZHFMZQGIGP-JSGCOSHPSA-N 1 0 398.301 1.591 20 0 GDADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000563810637 531863916 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CCOC(=O)c1cc(S(=O)(=O)NC[C@H](C)C[NH3+])cc(Br)c1C ZINC000564960467 531871463 /nfs/dbraw/zinc/87/14/63/531871463.db2.gz ZPNPSGAQROHGJY-SECBINFHSA-N 1 0 393.303 1.807 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1Br ZINC000595239552 531871701 /nfs/dbraw/zinc/87/17/01/531871701.db2.gz CEVFSZBUCHHWGH-UHFFFAOYSA-N 1 0 386.246 1.370 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000595243712 531871949 /nfs/dbraw/zinc/87/19/49/531871949.db2.gz GTECCKHEUMZVTC-SECBINFHSA-N 1 0 386.246 1.288 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)ccc1Br ZINC000595247263 531872923 /nfs/dbraw/zinc/87/29/23/531872923.db2.gz DGJNFBPMTWJJRJ-UHFFFAOYSA-N 1 0 396.241 1.124 20 0 GDADRO COC(=O)[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccccc1Br ZINC000595256636 531873337 /nfs/dbraw/zinc/87/33/37/531873337.db2.gz PHWFYJOMTZZWQD-IAQYHMDHSA-N 1 0 385.258 1.548 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418969985 531873899 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GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000419010472 531878884 /nfs/dbraw/zinc/87/88/84/531878884.db2.gz PSWLUZSUAKYFPS-CMPLNLGQSA-N 1 0 384.274 1.455 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000419016105 531880024 /nfs/dbraw/zinc/88/00/24/531880024.db2.gz CNYDFMJMCHGCKU-GXFFZTMASA-N 1 0 382.258 1.209 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NCC2=CC[NH2+]CC2)cc1Br ZINC000419013139 531880133 /nfs/dbraw/zinc/88/01/33/531880133.db2.gz YQIJRPKTLKZFCW-NSHDSACASA-N 1 0 396.285 1.671 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000419013590 531880429 /nfs/dbraw/zinc/88/04/29/531880429.db2.gz ZYDOVMKZYQPXDD-GMXVVIOVSA-N 1 0 398.301 1.879 20 0 GDADRO O=C(NCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)c1cnccn1 ZINC000566109304 531881226 /nfs/dbraw/zinc/88/12/26/531881226.db2.gz MCUPTDFDZYNNGU-LBPRGKRZSA-N 1 0 385.251 1.543 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419021452 531882009 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C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000675781960 531911944 /nfs/dbraw/zinc/91/19/44/531911944.db2.gz IRRUPGMPRVITCG-CYBMUJFWSA-N 1 0 397.317 1.530 20 0 GDADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675817042 531912264 /nfs/dbraw/zinc/91/22/64/531912264.db2.gz LSHPVURSHVNNQV-CQSZACIVSA-N 1 0 389.949 1.967 20 0 GDADRO O[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)COc1ccccc1Br ZINC000675763446 531912334 /nfs/dbraw/zinc/91/23/34/531912334.db2.gz KVZLDTPDWUDFCS-STQMWFEESA-N 1 0 381.274 1.717 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000419205984 531913352 /nfs/dbraw/zinc/91/33/52/531913352.db2.gz LYWCOWRKHRBIDB-JSGCOSHPSA-N 1 0 382.302 1.612 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1ccccc1Br ZINC000419204583 531913720 /nfs/dbraw/zinc/91/37/20/531913720.db2.gz JFSBAOLREGTELG-RISCZKNCSA-N 1 0 398.301 1.337 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CCO1 ZINC000647863478 531900094 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CSc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000626860637 531939017 /nfs/dbraw/zinc/93/90/17/531939017.db2.gz HUSOSGPHAOMMJN-KOLCDFICSA-N 1 0 376.404 1.728 20 0 GDADRO COC(=O)c1cn(CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)nn1 ZINC000284187122 531939085 /nfs/dbraw/zinc/93/90/85/531939085.db2.gz YASPRUJIVMZNHA-UHFFFAOYSA-N 1 0 397.229 1.388 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCOCC1 ZINC000626858566 531939335 /nfs/dbraw/zinc/93/93/35/531939335.db2.gz QPDRQRRFBQKYGI-UHFFFAOYSA-N 1 0 377.775 1.504 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])Cc1cccc(Br)c1 ZINC000419355761 531927782 /nfs/dbraw/zinc/92/77/82/531927782.db2.gz FMTUIZKUXVXRKI-GFCCVEGCSA-N 1 0 384.318 1.988 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000298836655 531927789 /nfs/dbraw/zinc/92/77/89/531927789.db2.gz ZFIJIBNFUFYOQE-CYBMUJFWSA-N 1 0 389.543 1.085 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419357183 531928078 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GDADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c(Cl)cc1Br ZINC000626912204 531941391 /nfs/dbraw/zinc/94/13/91/531941391.db2.gz VIEMJQCTRJQUNV-OIBJUYFYSA-N 1 0 390.665 1.916 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000626910085 531941449 /nfs/dbraw/zinc/94/14/49/531941449.db2.gz ZAHAOFMENBLOKR-CMPLNLGQSA-N 1 0 392.257 1.440 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000419620753 531942367 /nfs/dbraw/zinc/94/23/67/531942367.db2.gz QYCALLLRTOHOKP-AAEUAGOBSA-N 1 0 384.274 1.201 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)Oc1ccc(Br)cc1 ZINC000419614151 531942929 /nfs/dbraw/zinc/94/29/29/531942929.db2.gz OJIZJDSWXYBLCE-NSHDSACASA-N 1 0 384.274 1.330 20 0 GDADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419620651 531942937 /nfs/dbraw/zinc/94/29/37/531942937.db2.gz DZCFYRABYQGRLE-XHDPSFHLSA-N 1 0 398.301 1.510 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)Oc1ccccc1Br ZINC000419614090 531943173 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GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419627456 531945624 /nfs/dbraw/zinc/94/56/24/531945624.db2.gz KPLYAXWEQQFHRL-LKTVYLICSA-N 1 0 398.301 1.495 20 0 GDADRO C[NH+](C)CCOc1cc(CNC(=O)c2cc(S(C)(=O)=O)cs2)ccn1 ZINC000270995573 531951740 /nfs/dbraw/zinc/95/17/40/531951740.db2.gz FEGYWHPRTKJCAY-UHFFFAOYSA-N 1 0 383.495 1.417 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)[C@H]1CC[NH3+] ZINC000652377895 531946401 /nfs/dbraw/zinc/94/64/01/531946401.db2.gz SAKZQYVVNBYSLS-KBPBESRZSA-N 1 0 389.543 1.075 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419636479 531946664 /nfs/dbraw/zinc/94/66/64/531946664.db2.gz RUHJNPSRIZFXHF-GWCFXTLKSA-N 1 0 386.290 1.495 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419630767 531946852 /nfs/dbraw/zinc/94/68/52/531946852.db2.gz NSOIWZQOZQCETD-MJVIPROJSA-N 1 0 386.290 1.495 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419639422 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[NH3+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000419763032 531966993 /nfs/dbraw/zinc/96/69/93/531966993.db2.gz TXLMUQQODDQJPT-CYBMUJFWSA-N 1 0 385.295 1.638 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000419776362 531967473 /nfs/dbraw/zinc/96/74/73/531967473.db2.gz KGLVJKFJFXGDAY-LLVKDONJSA-N 1 0 386.290 1.751 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419775853 531967702 /nfs/dbraw/zinc/96/77/02/531967702.db2.gz JYWQIOIOMOENHP-ZYHUDNBSSA-N 1 0 384.274 1.503 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000419782854 531969282 /nfs/dbraw/zinc/96/92/82/531969282.db2.gz RMNIRADIDLETHG-MEBBXXQBSA-N 1 0 398.276 1.963 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000419785105 531969380 /nfs/dbraw/zinc/96/93/80/531969380.db2.gz VQBQZGZLKHPXRE-WDEREUQCSA-N 1 0 386.290 1.607 20 0 GDADRO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419785187 531969450 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C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000419958158 531990192 /nfs/dbraw/zinc/99/01/92/531990192.db2.gz UTDFMTJOHAGZNV-IUODEOHRSA-N 1 0 398.301 1.321 20 0 GDADRO CCOc1ccc(Br)cc1CN(C(=O)C(=O)N[C@@H](C)C[NH3+])C1CC1 ZINC000420011022 531996238 /nfs/dbraw/zinc/99/62/38/531996238.db2.gz GGCOYBHRYMGVDY-NSHDSACASA-N 1 0 398.301 1.802 20 0 GDADRO COc1ccc(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1Cl ZINC000657071759 531997129 /nfs/dbraw/zinc/99/71/29/531997129.db2.gz ULVMVTXJWBEEOI-ZDUSSCGKSA-N 1 0 377.938 1.899 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000420026812 531997414 /nfs/dbraw/zinc/99/74/14/531997414.db2.gz BPDQWJTXSYKSDU-RISCZKNCSA-N 1 0 398.301 1.660 20 0 GDADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420026783 531997746 /nfs/dbraw/zinc/99/77/46/531997746.db2.gz BLAOWSFHKADLIE-GTNSWQLSSA-N 1 0 390.311 1.931 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)ccc1Cl ZINC000631091237 531997762 /nfs/dbraw/zinc/99/77/62/531997762.db2.gz YEBJKUANYBZLEB-AWEZNQCLSA-N 1 0 385.917 1.868 20 0 GDADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000284820172 531995416 /nfs/dbraw/zinc/99/54/16/531995416.db2.gz MALNBBOIEQRWLC-JTQLQIEISA-N 1 0 378.420 1.940 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccncc2Br)CC1 ZINC000631111776 531998983 /nfs/dbraw/zinc/99/89/83/531998983.db2.gz RNNXCNNGBBLSIY-UHFFFAOYSA-N 1 0 376.320 1.995 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420113447 532002553 /nfs/dbraw/zinc/00/25/53/532002553.db2.gz IMMUVBANQKSGRJ-WFASDCNBSA-N 1 0 382.302 1.912 20 0 GDADRO COCn1nccc1S(=O)(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000574892068 532001099 /nfs/dbraw/zinc/00/10/99/532001099.db2.gz AFLAEWHDNCQTRP-GOEBONIOSA-N 1 0 384.889 1.864 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420093848 532001170 /nfs/dbraw/zinc/00/11/70/532001170.db2.gz DEQHZKKKMDUJSQ-WFASDCNBSA-N 1 0 382.302 1.830 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420132298 532003942 /nfs/dbraw/zinc/00/39/42/532003942.db2.gz SLNDFAISHKKBCO-WFASDCNBSA-N 1 0 382.302 1.912 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000420133595 532004104 /nfs/dbraw/zinc/00/41/04/532004104.db2.gz CNTPVRWRQPGLHT-XUJVJEKNSA-N 1 0 398.301 1.462 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000420138698 532006316 /nfs/dbraw/zinc/00/63/16/532006316.db2.gz NFRUNVVHGYPJER-UHFFFAOYSA-N 1 0 378.270 1.370 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N(CC)CC[NH3+])c1 ZINC000599098148 532005128 /nfs/dbraw/zinc/00/51/28/532005128.db2.gz FCHVYLKTHFESDR-UHFFFAOYSA-N 1 0 379.276 1.595 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420206455 532009864 /nfs/dbraw/zinc/00/98/64/532009864.db2.gz JXPFFBHDZSWITP-IIAWOOMASA-N 1 0 394.313 1.912 20 0 GDADRO CNC(=O)CN1CCCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000371163034 532009530 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GDADRO CCN(CCNS(=O)(=O)c1c2c(nn1C)CCCC2)CCC(F)(F)F ZINC000632275785 532019892 /nfs/dbraw/zinc/01/98/92/532019892.db2.gz UTLUYSXZGVMAGL-UHFFFAOYSA-N 1 0 382.452 1.852 20 0 GDADRO O=C(NCCOc1cccc(Cl)c1Cl)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000576255610 532020051 /nfs/dbraw/zinc/02/00/51/532020051.db2.gz FFGNZBJFADJLGP-GFCCVEGCSA-N 1 0 388.295 1.994 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420470222 532020938 /nfs/dbraw/zinc/02/09/38/532020938.db2.gz LZLAZYMWJSWKKZ-LBPRGKRZSA-N 1 0 392.319 1.253 20 0 GDADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)cc1 ZINC000271510483 532021609 /nfs/dbraw/zinc/02/16/09/532021609.db2.gz SEQHVMBHTRXVRH-ZDUSSCGKSA-N 1 0 377.532 1.427 20 0 GDADRO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)cc1Cl ZINC000420483403 532021992 /nfs/dbraw/zinc/02/19/92/532021992.db2.gz WGNKDDSPBXDDKA-SNVBAGLBSA-N 1 0 399.296 1.285 20 0 GDADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000271522528 532022150 /nfs/dbraw/zinc/02/21/50/532022150.db2.gz PTNUFXIPMCJTSY-KGLIPLIRSA-N 1 0 389.543 1.380 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(I)cc2)C1 ZINC000576514337 532024728 /nfs/dbraw/zinc/02/47/28/532024728.db2.gz MUXCJWJXYKTOLU-ZDUSSCGKSA-N 1 0 375.210 1.479 20 0 GDADRO C[NH+](C)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000576690482 532027063 /nfs/dbraw/zinc/02/70/63/532027063.db2.gz PXIZIXWPWATCAL-AWEZNQCLSA-N 1 0 396.481 1.094 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000271579740 532027424 /nfs/dbraw/zinc/02/74/24/532027424.db2.gz HKTIDGQISXDCAB-JTQLQIEISA-N 1 0 390.893 1.106 20 0 GDADRO OCCOCCN(CCO)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000459768686 532027460 /nfs/dbraw/zinc/02/74/60/532027460.db2.gz AALKNYYGPMAWBN-UHFFFAOYSA-N 1 0 385.258 1.907 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)n1 ZINC000271590169 532028892 /nfs/dbraw/zinc/02/88/92/532028892.db2.gz VDTPVKXVTQYGOA-AAEUAGOBSA-N 1 0 381.274 1.834 20 0 GDADRO C[NH+](C)C1CCC(Nc2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000420630781 532031648 /nfs/dbraw/zinc/03/16/48/532031648.db2.gz UAHAKALIOOBLJV-UHFFFAOYSA-N 1 0 377.308 1.776 20 0 GDADRO CN1CCOC[C@H]1CNC(=O)Nc1ccccc1I ZINC000599698484 532036883 /nfs/dbraw/zinc/03/68/83/532036883.db2.gz IYRVEFAGUPSNSW-SNVBAGLBSA-N 1 0 375.210 1.743 20 0 GDADRO C[C@H]1C[NH+](CCC2CCN(c3ncc(S(N)(=O)=O)s3)CC2)C[C@H](C)O1 ZINC000301566442 532037351 /nfs/dbraw/zinc/03/73/51/532037351.db2.gz QBEBYDMHQCLGQF-STQMWFEESA-N 1 0 388.559 1.506 20 0 GDADRO CC[C@@H](C)[C@@H](C)[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271653847 532036282 /nfs/dbraw/zinc/03/62/82/532036282.db2.gz GKVNGNKSPARGBM-ZIAGYGMSSA-N 1 0 392.543 1.815 20 0 GDADRO CS[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000271681154 532040105 /nfs/dbraw/zinc/04/01/05/532040105.db2.gz ZCADZTQEZIJPQG-CHWSQXEVSA-N 1 0 383.461 1.835 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nnc(S(C)(=O)=O)s1 ZINC000285172099 532041577 /nfs/dbraw/zinc/04/15/77/532041577.db2.gz VCZOGPQXIISFAU-UKRRQHHQSA-N 1 0 380.539 1.942 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000462014804 532047405 /nfs/dbraw/zinc/04/74/05/532047405.db2.gz NNIFRGAEBNBTQL-HZPDHXFCSA-N 1 0 376.567 1.610 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000462002241 532047830 /nfs/dbraw/zinc/04/78/30/532047830.db2.gz LCMNQRMUKCSJGL-UHFFFAOYSA-N 1 0 379.592 1.334 20 0 GDADRO CC[C@H]([NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C1CC1 ZINC000271743625 532048680 /nfs/dbraw/zinc/04/86/80/532048680.db2.gz QPLMLBIGDCCYJX-INIZCTEOSA-N 1 0 390.527 1.569 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)ccc1Br ZINC000271745249 532049102 /nfs/dbraw/zinc/04/91/02/532049102.db2.gz JLMIBNRSAXFOTO-SECBINFHSA-N 1 0 386.246 1.241 20 0 GDADRO CSC1(CNC(=O)N2CCNC(=O)[C@H]2c2cccs2)CC[NH+](C)CC1 ZINC000462503379 532050792 /nfs/dbraw/zinc/05/07/92/532050792.db2.gz JZHZVJGNTBJYBM-CQSZACIVSA-N 1 0 382.555 1.758 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(C(=O)OC)s1 ZINC000420766092 532049831 /nfs/dbraw/zinc/04/98/31/532049831.db2.gz LTGVVHNUQNBERP-JTQLQIEISA-N 1 0 390.483 1.036 20 0 GDADRO CN(CCOCC[NH3+])CC(=O)Nc1cccc(I)c1 ZINC000600733229 532053758 /nfs/dbraw/zinc/05/37/58/532053758.db2.gz HZGFTBVUCREFDS-UHFFFAOYSA-N 1 0 377.226 1.137 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000578610653 532053843 /nfs/dbraw/zinc/05/38/43/532053843.db2.gz PEHCGYUQWVICTI-UHFFFAOYSA-N 1 0 386.265 1.662 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000578612538 532052904 /nfs/dbraw/zinc/05/29/04/532052904.db2.gz SFVNPYXBIPTWJY-VXGBXAGGSA-N 1 0 387.299 1.291 20 0 GDADRO CC(C)(CN1CCOCC1)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000308649355 532052936 /nfs/dbraw/zinc/05/29/36/532052936.db2.gz YDTFEBMECLNCHT-OAHLLOKOSA-N 1 0 387.318 1.889 20 0 GDADRO C[C@H](C(=O)Nc1ccc(I)cc1)N(C)CCOCC[NH3+] ZINC000600735355 532053387 /nfs/dbraw/zinc/05/33/87/532053387.db2.gz 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392.297 1.546 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423105527 532072575 /nfs/dbraw/zinc/07/25/75/532072575.db2.gz QRBVWSMCSOVFCB-LSDHHAIUSA-N 1 0 394.313 1.866 20 0 GDADRO Cc1c(Cl)cccc1NC(=O)CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602449826 532077810 /nfs/dbraw/zinc/07/78/10/532077810.db2.gz SVBBJOGTQWLFBB-RUZDIDTESA-N 1 0 385.917 1.594 20 0 GDADRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC1(O)CCS(=O)(=O)CC1 ZINC000469732649 532077853 /nfs/dbraw/zinc/07/78/53/532077853.db2.gz DEVJAIUEMSPOSI-UHFFFAOYSA-N 1 0 381.416 1.956 20 0 GDADRO Cc1cc(Br)c(O)c(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)c1 ZINC000602502279 532078174 /nfs/dbraw/zinc/07/81/74/532078174.db2.gz GFCPLXXIBNWRHC-OAQYLSRUSA-N 1 0 375.288 1.902 20 0 GDADRO CCc1csc(CC2CCN(C(=O)C3([S@](C)=O)CC[NH2+]CC3)CC2)n1 ZINC000602521683 532078511 /nfs/dbraw/zinc/07/85/11/532078511.db2.gz PZQMHDNJYGOBAH-VWLOTQADSA-N 1 0 383.583 1.987 20 0 GDADRO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423489651 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ZINC000820260517 607319053 /nfs/dbraw/zinc/31/90/53/607319053.db2.gz HWRSOQYTUBVBHD-HNNXBMFYSA-N 1 0 399.499 1.966 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000820710654 607319986 /nfs/dbraw/zinc/31/99/86/607319986.db2.gz RMEIWGBVYLPIPI-OAHLLOKOSA-N 1 0 399.499 1.824 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000823188126 599280624 /nfs/dbraw/zinc/28/06/24/599280624.db2.gz VJEMVKBSACRTEY-CYBMUJFWSA-N 1 0 377.424 1.364 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000736801207 599283271 /nfs/dbraw/zinc/28/32/71/599283271.db2.gz TZZRBYLLUPUGHQ-UHFFFAOYSA-N 1 0 389.435 1.325 20 0 GDADRO Cn1cc([C@H]2CC[N@H+](Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)cn1 ZINC000737606009 599290095 /nfs/dbraw/zinc/29/00/95/599290095.db2.gz PLCSEQRISRYQGN-AWEZNQCLSA-N 1 0 377.412 1.640 20 0 GDADRO CC[N@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CCCC1 ZINC000736556619 598233223 /nfs/dbraw/zinc/23/32/23/598233223.db2.gz ZRLXXGMRRLTPBJ-IBGZPJMESA-N 1 0 383.456 1.856 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736854516 598269232 /nfs/dbraw/zinc/26/92/32/598269232.db2.gz DEDBJCUDONMAFC-OAHLLOKOSA-N 1 0 385.472 1.514 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1=O ZINC000497842321 598272155 /nfs/dbraw/zinc/27/21/55/598272155.db2.gz VJIABDPJHZGUGR-ZBFHGGJFSA-N 1 0 383.456 1.138 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736236040 598285103 /nfs/dbraw/zinc/28/51/03/598285103.db2.gz FSAJCSWLWIOBQP-ZNMIVQPWSA-N 1 0 384.488 1.172 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736236562 598285107 /nfs/dbraw/zinc/28/51/07/598285107.db2.gz LBPWEKJCDGHURH-ZNMIVQPWSA-N 1 0 384.488 1.172 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738038479 598294672 /nfs/dbraw/zinc/29/46/72/598294672.db2.gz ZPGJQCMNGNJIBW-JKSUJKDBSA-N 1 0 396.499 1.325 20 0 GDADRO CC[NH+]1CCN(Cc2ccccc2CNc2nccnc2-c2nn[nH]n2)CC1 ZINC000736570244 598344364 /nfs/dbraw/zinc/34/43/64/598344364.db2.gz XCGGJYZVZSHTOR-UHFFFAOYSA-N 1 0 379.472 1.406 20 0 GDADRO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCOc3ccccc3-c3nn[nH]n3)C2)n1 ZINC000737474107 598350649 /nfs/dbraw/zinc/35/06/49/598350649.db2.gz KVLOSSBGDBNBCJ-MRXNPFEDSA-N 1 0 382.472 1.866 20 0 GDADRO O=C(c1occc1COc1cccc(-c2nn[nH]n2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000738292228 598358911 /nfs/dbraw/zinc/35/89/11/598358911.db2.gz JSLSAUQQRRFLBR-INIZCTEOSA-N 1 0 394.435 1.959 20 0 GDADRO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736408809 598366757 /nfs/dbraw/zinc/36/67/57/598366757.db2.gz VIVRVUZFWNYXLJ-GOSISDBHSA-N 1 0 396.499 1.538 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C(=O)c1ccc(F)cc1 ZINC000736766549 598389830 /nfs/dbraw/zinc/38/98/30/598389830.db2.gz BBKWPQIWIKRABK-UHFFFAOYSA-N 1 0 396.426 1.779 20 0 GDADRO NC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737746724 598396418 /nfs/dbraw/zinc/39/64/18/598396418.db2.gz LDKLNDFKQQZGEA-LLVKDONJSA-N 1 0 377.836 1.189 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736859695 598428702 /nfs/dbraw/zinc/42/87/02/598428702.db2.gz HGPQJHPGPYNGOL-QGZVFWFLSA-N 1 0 384.488 1.501 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736481860 598455928 /nfs/dbraw/zinc/45/59/28/598455928.db2.gz RHLJDKATWYRBIA-MRXNPFEDSA-N 1 0 384.488 1.221 20 0 GDADRO c1ccc2c(c1)n[nH]c2C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000738433275 598467219 /nfs/dbraw/zinc/46/72/19/598467219.db2.gz OYEJLJMLUZXYMS-UHFFFAOYSA-N 1 0 375.440 1.897 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000737024702 598467234 /nfs/dbraw/zinc/46/72/34/598467234.db2.gz NMJQYDWUGQJELP-HNNXBMFYSA-N 1 0 386.456 1.341 20 0 GDADRO NC(=O)Cc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737758974 598467312 /nfs/dbraw/zinc/46/73/12/598467312.db2.gz RACKRJXAALGDMR-UHFFFAOYSA-N 1 0 391.479 1.653 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000738146260 598498100 /nfs/dbraw/zinc/49/81/00/598498100.db2.gz VSHXFZMQLDTUJC-GFCCVEGCSA-N 1 0 389.847 1.059 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738328898 598510695 /nfs/dbraw/zinc/51/06/95/598510695.db2.gz HIRJMXAHYBDDGQ-INIZCTEOSA-N 1 0 376.486 1.257 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738328419 598510959 /nfs/dbraw/zinc/51/09/59/598510959.db2.gz AUEBWDWXAYKCCQ-KRWDZBQOSA-N 1 0 390.513 1.647 20 0 GDADRO CCN(CCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736536348 598518708 /nfs/dbraw/zinc/51/87/08/598518708.db2.gz AIBMEKTVMZDFEA-HNNXBMFYSA-N 1 0 381.488 1.611 20 0 GDADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735488395 598519497 /nfs/dbraw/zinc/51/94/97/598519497.db2.gz LLGYRDKERDLPCN-WCQYABFASA-N 1 0 381.444 1.414 20 0 GDADRO Cc1[nH]c2ccc(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cc2c1C ZINC000737200307 598526219 /nfs/dbraw/zinc/52/62/19/598526219.db2.gz SBNHCZFPLNJAFQ-CQSZACIVSA-N 1 0 377.456 1.993 20 0 GDADRO Fc1ccc(N2CC[C@@H](C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)cc1 ZINC000737659534 598526971 /nfs/dbraw/zinc/52/69/71/598526971.db2.gz IULYIUCOQBXDNP-KBPBESRZSA-N 1 0 397.462 1.360 20 0 GDADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737113249 598528168 /nfs/dbraw/zinc/52/81/68/598528168.db2.gz AMBHKPLMMRGPOJ-PXAZEXFGSA-N 1 0 380.456 1.781 20 0 GDADRO Fc1ccc(OCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(F)c1 ZINC000737656015 598530696 /nfs/dbraw/zinc/53/06/96/598530696.db2.gz FWFYPJCZMQIZJD-SNVBAGLBSA-N 1 0 376.371 1.052 20 0 GDADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000736179332 598557180 /nfs/dbraw/zinc/55/71/80/598557180.db2.gz CNPODGPMHMOCEG-HUUCEWRRSA-N 1 0 388.472 1.203 20 0 GDADRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000736524995 598563377 /nfs/dbraw/zinc/56/33/77/598563377.db2.gz YDYICFNSGHMHJN-CYBMUJFWSA-N 1 0 391.501 1.590 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265426 598594857 /nfs/dbraw/zinc/59/48/57/598594857.db2.gz JODCWRRONRABCS-YJBOKZPZSA-N 1 0 383.500 1.684 20 0 GDADRO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC000736760905 598595147 /nfs/dbraw/zinc/59/51/47/598595147.db2.gz RLOFJJCXOHMGDI-QGZVFWFLSA-N 1 0 383.500 1.826 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738034065 598595506 /nfs/dbraw/zinc/59/55/06/598595506.db2.gz FJMDJWRNFDALLG-KZNAEPCWSA-N 1 0 381.484 1.579 20 0 GDADRO CN1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736857282 598620107 /nfs/dbraw/zinc/62/01/07/598620107.db2.gz PUZNJDFADXOGKR-UHFFFAOYSA-N 1 0 383.500 1.243 20 0 GDADRO C[NH+](C)[C@H]1CCCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736757065 598621812 /nfs/dbraw/zinc/62/18/12/598621812.db2.gz NSZYTGWYVQZFJK-ZDUSSCGKSA-N 1 0 377.880 1.875 20 0 GDADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)C(C)C ZINC000735861289 598634732 /nfs/dbraw/zinc/63/47/32/598634732.db2.gz WRAUBRQPJZSLJR-UHFFFAOYSA-N 1 0 377.424 1.179 20 0 GDADRO CN1CC[NH+](CC2CCN(C(=O)c3sccc3-c3nn[nH]n3)CC2)CC1 ZINC000736865128 598691825 /nfs/dbraw/zinc/69/18/25/598691825.db2.gz VLYDCEHRMHKGOH-UHFFFAOYSA-N 1 0 375.502 1.028 20 0 GDADRO CN(C(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000736732216 598697142 /nfs/dbraw/zinc/69/71/42/598697142.db2.gz NJLOVYKZKGMVJB-ROUUACIJSA-N 1 0 381.484 1.531 20 0 GDADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1sccc1-c1nn[nH]n1 ZINC000738040615 598697906 /nfs/dbraw/zinc/69/79/06/598697906.db2.gz QNSVWWGCGUGRIM-UHFFFAOYSA-N 1 0 376.486 1.693 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737842843 598706501 /nfs/dbraw/zinc/70/65/01/598706501.db2.gz DESAFHNXNARNIW-MRXNPFEDSA-N 1 0 383.456 1.282 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736860749 598757774 /nfs/dbraw/zinc/75/77/74/598757774.db2.gz VEEZKSFREVIIIW-LSDHHAIUSA-N 1 0 380.449 1.253 20 0 GDADRO CC(C)(C)OC[C@H](O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735639189 598780443 /nfs/dbraw/zinc/78/04/43/598780443.db2.gz DNZNMCKYAVPNBJ-OAHLLOKOSA-N 1 0 375.473 1.886 20 0 GDADRO c1cnc(N2CC[NH+](CCCCNc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000738446057 598796553 /nfs/dbraw/zinc/79/65/53/598796553.db2.gz SKDPMQWREVBVCJ-UHFFFAOYSA-N 1 0 379.472 1.671 20 0 GDADRO C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)CC(=O)NCc1cccs1 ZINC000736791204 598797088 /nfs/dbraw/zinc/79/70/88/598797088.db2.gz AIEOUIUBRXIGSV-UHFFFAOYSA-N 1 0 399.480 1.505 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736568321 598813974 /nfs/dbraw/zinc/81/39/74/598813974.db2.gz AIOLEAFQSDTQPI-GOSISDBHSA-N 1 0 383.500 1.385 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736321656 598820034 /nfs/dbraw/zinc/82/00/34/598820034.db2.gz FQCQJOAXGNAKRZ-SNVBAGLBSA-N 1 0 379.852 1.305 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736405328 599293584 /nfs/dbraw/zinc/29/35/84/599293584.db2.gz GLHVNZLUUPZDPA-CHWSQXEVSA-N 1 0 380.449 1.253 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000737033453 599296283 /nfs/dbraw/zinc/29/62/83/599296283.db2.gz PJHRQTCGMAXEAJ-HIFRSBDPSA-N 1 0 388.472 1.443 20 0 GDADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000738390733 599321033 /nfs/dbraw/zinc/32/10/33/599321033.db2.gz SEEJHWJIRUALNM-GJZGRUSLSA-N 1 0 382.390 1.921 20 0 GDADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000821189584 599322645 /nfs/dbraw/zinc/32/26/45/599322645.db2.gz PLAWBPDSWBCNLT-UHFFFAOYSA-N 1 0 392.529 1.918 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)[C@H](C)C1 ZINC000821253913 599347334 /nfs/dbraw/zinc/34/73/34/599347334.db2.gz JCXRTRPMFUSMRS-IAQYHMDHSA-N 1 0 398.920 1.871 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)[C@H](C)C1 ZINC000821253097 599347412 /nfs/dbraw/zinc/34/74/12/599347412.db2.gz CPHMCYIUKNJIHS-HIFRSBDPSA-N 1 0 378.502 1.526 20 0 GDADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC000820240045 599353651 /nfs/dbraw/zinc/35/36/51/599353651.db2.gz BODCLDHUBURQGE-VIFPVBQESA-N 1 0 392.407 1.504 20 0 GDADRO O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823600576 599361197 /nfs/dbraw/zinc/36/11/97/599361197.db2.gz ITCNHZVZWSJZCC-ZDUSSCGKSA-N 1 0 394.476 1.502 20 0 GDADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821636503 599365632 /nfs/dbraw/zinc/36/56/32/599365632.db2.gz SNEZVNCXAIRVNL-ZDUSSCGKSA-N 1 0 386.481 1.767 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)C1 ZINC000821088137 599374123 /nfs/dbraw/zinc/37/41/23/599374123.db2.gz 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C[C@H]1CN(C(C)(C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@H](C)O1 ZINC000736289152 599482201 /nfs/dbraw/zinc/48/22/01/599482201.db2.gz CXXZAJJDVUGFDG-KBPBESRZSA-N 1 0 384.488 1.492 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000822204184 599531726 /nfs/dbraw/zinc/53/17/26/599531726.db2.gz HFLXCJCCUHAVHP-QWHCGFSZSA-N 1 0 385.447 1.754 20 0 GDADRO Cn1cc(C[N@@H+]2CCCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)cn1 ZINC000822680345 599538276 /nfs/dbraw/zinc/53/82/76/599538276.db2.gz MBWWDJQHSPNBJT-UHFFFAOYSA-N 1 0 389.467 1.861 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821625248 599574427 /nfs/dbraw/zinc/57/44/27/599574427.db2.gz JGQXFQPQPHMNMZ-HOTGVXAUSA-N 1 0 380.456 1.975 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000819876902 599586238 /nfs/dbraw/zinc/58/62/38/599586238.db2.gz JYIRTVUNAVULBQ-HOTGVXAUSA-N 1 0 399.499 1.380 20 0 GDADRO O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737877846 599590102 /nfs/dbraw/zinc/59/01/02/599590102.db2.gz WVPMHGVBNZCZFL-ZDUSSCGKSA-N 1 0 375.502 1.817 20 0 GDADRO COc1ccccc1[C@H]1CC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737146127 599592855 /nfs/dbraw/zinc/59/28/55/599592855.db2.gz GFTBQXJDJWDBSD-KRWDZBQOSA-N 1 0 392.463 1.981 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000822319429 599599028 /nfs/dbraw/zinc/59/90/28/599599028.db2.gz RJPFOAANDIJCLD-ZIAGYGMSSA-N 1 0 399.499 1.598 20 0 GDADRO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738041245 599605229 /nfs/dbraw/zinc/60/52/29/599605229.db2.gz YSWWINHSOZFODH-KRWDZBQOSA-N 1 0 397.483 1.073 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1-c1nn[nH]n1 ZINC000822313635 599607234 /nfs/dbraw/zinc/60/72/34/599607234.db2.gz OLYRAMSYNOYDPV-OAHLLOKOSA-N 1 0 397.483 1.591 20 0 GDADRO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000819898319 599637161 /nfs/dbraw/zinc/63/71/61/599637161.db2.gz DYGIINWDXKHFKI-MRXNPFEDSA-N 1 0 399.499 1.822 20 0 GDADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000820972685 599646640 /nfs/dbraw/zinc/64/66/40/599646640.db2.gz QSGJFGAINUUYTA-HIFRSBDPSA-N 1 0 383.456 1.709 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)Cc1ccccc1 ZINC000821579756 599665197 /nfs/dbraw/zinc/66/51/97/599665197.db2.gz MNZVFOGJUQTKLD-KRWDZBQOSA-N 1 0 397.458 1.978 20 0 GDADRO CC(C)[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)[NH+]1CCCC1 ZINC000820021433 599673703 /nfs/dbraw/zinc/67/37/03/599673703.db2.gz TYUVETDXXNCDTD-INIZCTEOSA-N 1 0 375.452 1.925 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000821267337 599675960 /nfs/dbraw/zinc/67/59/60/599675960.db2.gz MNXNUFVDFREEOK-HNNXBMFYSA-N 1 0 384.488 1.183 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000821689883 599676498 /nfs/dbraw/zinc/67/64/98/599676498.db2.gz QGZNXRORVDCURB-WMLDXEAASA-N 1 0 387.488 1.507 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc(NC=O)cc1 ZINC000821586395 599698035 /nfs/dbraw/zinc/69/80/35/599698035.db2.gz WBJXMSMADOGYHA-UHFFFAOYSA-N 1 0 393.451 1.639 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@H](N(C)Cc3noc(C)n3)C2)cc1-c1nn[nH]n1 ZINC000821794749 607445118 /nfs/dbraw/zinc/44/51/18/607445118.db2.gz MBDMTJOKZIATAO-AWEZNQCLSA-N 1 0 384.444 1.273 20 0 GDADRO C[C@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)C[NH+]1CCN(C)CC1 ZINC000824420561 607458007 /nfs/dbraw/zinc/45/80/07/607458007.db2.gz MOMCQKJOUNIDMX-OAHLLOKOSA-N 1 0 398.515 1.039 20 0 GDADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000822740446 607472333 /nfs/dbraw/zinc/47/23/33/607472333.db2.gz KDSOLOHNEALVEX-GOSISDBHSA-N 1 0 382.443 1.996 20 0 GDADRO CN(C)C(=O)COc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821578279 607473564 /nfs/dbraw/zinc/47/35/64/607473564.db2.gz WQWCUFRYEHKPSD-UHFFFAOYSA-N 1 0 384.415 1.763 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820093562 607493948 /nfs/dbraw/zinc/49/39/48/607493948.db2.gz YWASNMQPWDFXSH-INIZCTEOSA-N 1 0 392.529 1.654 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826455855 607518967 /nfs/dbraw/zinc/51/89/67/607518967.db2.gz HBPBTTXVVAYSJH-RHSMWYFYSA-N 1 0 395.467 1.281 20 0 GDADRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000825663874 607519239 /nfs/dbraw/zinc/51/92/39/607519239.db2.gz YKSOTZVUFVDNMW-UHFFFAOYSA-N 1 0 394.501 1.121 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000826175700 607525833 /nfs/dbraw/zinc/52/58/33/607525833.db2.gz NDTBKBIURUMHFV-HNNXBMFYSA-N 1 0 383.456 1.997 20 0 GDADRO COc1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826199125 607564972 /nfs/dbraw/zinc/56/49/72/607564972.db2.gz QPJBLVCNRZJSJN-ZIAGYGMSSA-N 1 0 387.488 1.795 20 0 GDADRO C[C@H](CNC(=O)NCCN1CCN(C(=O)[O-])CC1)[N@H+](C)Cc1ccccc1 ZINC000738921157 602622793 /nfs/dbraw/zinc/62/27/93/602622793.db2.gz RVRUCBZVTKIXQF-MRXNPFEDSA-N 1 0 377.489 1.102 20 0 GDADRO CC(C)[NH+](CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)C(C)C ZINC000824289319 607579501 /nfs/dbraw/zinc/57/95/01/607579501.db2.gz ZGHBWMRELPWYGO-UHFFFAOYSA-N 1 0 386.909 1.917 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000824937535 607588290 /nfs/dbraw/zinc/58/82/90/607588290.db2.gz PVXYNCGDISTNIK-LLVKDONJSA-N 1 0 384.893 1.673 20 0 GDADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1cccc(F)c1-c1nn[nH]n1 ZINC000826488217 607592700 /nfs/dbraw/zinc/59/27/00/607592700.db2.gz KRSNNIDDNJQVRX-UHFFFAOYSA-N 1 0 380.449 1.159 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000824906725 607595535 /nfs/dbraw/zinc/59/55/35/607595535.db2.gz DHPHIIMWOOSXLO-QLFBSQMISA-N 1 0 390.513 1.893 20 0 GDADRO COc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000826198390 607625253 /nfs/dbraw/zinc/62/52/53/607625253.db2.gz WRQSMCKOMYFPOH-OAHLLOKOSA-N 1 0 385.472 1.645 20 0 GDADRO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826330959 607639058 /nfs/dbraw/zinc/63/90/58/607639058.db2.gz OLOFCTFFJJNUEX-GUYCJALGSA-N 1 0 380.456 1.863 20 0 GDADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C[C@@H](O)C1CC1 ZINC000825915333 607640281 /nfs/dbraw/zinc/64/02/81/607640281.db2.gz XXCXOFDMKYRBLF-CYBMUJFWSA-N 1 0 390.513 1.838 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000529124472 649938216 /nfs/dbraw/zinc/93/82/16/649938216.db2.gz ZNGMUQRQCVDYFE-GFCCVEGCSA-N 1 0 384.527 1.752 20 0 GDADRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1cc(F)c(Br)cc1F ZINC000529339678 649940904 /nfs/dbraw/zinc/94/09/04/649940904.db2.gz MDWQUAWHMYVLQM-UWVGGRQHSA-N 1 0 391.260 1.991 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@H]2[C@@H](C1)C2(Br)Br ZINC000529387713 649942465 /nfs/dbraw/zinc/94/24/65/649942465.db2.gz PAZHINXZVKDDFC-LPEHRKFASA-N 1 0 397.111 1.122 20 0 GDADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc(-c3nn[nH]n3)[nH]1)c1ccccc1O2 ZINC000826029786 607696658 /nfs/dbraw/zinc/69/66/58/607696658.db2.gz WLNHCQYCFGWSEP-MRXNPFEDSA-N 1 0 393.451 1.913 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000826471043 607710998 /nfs/dbraw/zinc/71/09/98/607710998.db2.gz MDMQXZROQVNIQF-UHFFFAOYSA-N 1 0 377.452 1.858 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000833627400 605134874 /nfs/dbraw/zinc/13/48/74/605134874.db2.gz XDMNVYIXOOMLKP-SJLPKXTDSA-N 1 0 376.501 1.350 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000826256162 607746727 /nfs/dbraw/zinc/74/67/27/607746727.db2.gz WZGUJYAKPJWXIT-OAHLLOKOSA-N 1 0 378.502 1.574 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CN(C(=O)[O-])CC[C@H]2c2ccccc2)C1 ZINC000833982787 605607077 /nfs/dbraw/zinc/60/70/77/605607077.db2.gz YXVVHBVKEPAHFR-CEXWTWQISA-N 1 0 388.512 1.700 20 0 GDADRO 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CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C1 ZINC000825412849 609159992 /nfs/dbraw/zinc/15/99/92/609159992.db2.gz VOQNXTONSQRFTA-KRWDZBQOSA-N 1 0 394.483 1.917 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2cncn2)cc1 ZINC000824563787 609180094 /nfs/dbraw/zinc/18/00/94/609180094.db2.gz QDCMDOJOVVBUOS-ZDUSSCGKSA-N 1 0 389.423 1.737 20 0 GDADRO C[C@H](CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000824422435 609194429 /nfs/dbraw/zinc/19/44/29/609194429.db2.gz ZWEZETWGWSTDRQ-AUUYWEPGSA-N 1 0 392.463 1.463 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826430160 609196604 /nfs/dbraw/zinc/19/66/04/609196604.db2.gz VRQCGLHOOYPCQV-OALUTQOASA-N 1 0 392.463 1.681 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826431887 609201184 /nfs/dbraw/zinc/20/11/84/609201184.db2.gz NAMCYNOOFJQRMC-SFHVURJKSA-N 1 0 393.451 1.076 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000826468738 609205241 /nfs/dbraw/zinc/20/52/41/609205241.db2.gz FTYWYMSMWDPOMY-UHFFFAOYSA-N 1 0 377.452 1.858 20 0 GDADRO Cc1ccc([C@@H](CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[NH+]2CCCC2)o1 ZINC000826283872 609219564 /nfs/dbraw/zinc/21/95/64/609219564.db2.gz DAYJAWSIVWROGZ-SJLPKXTDSA-N 1 0 396.451 1.755 20 0 GDADRO Cc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c(OCC[NH+](C)C)c1 ZINC000826290785 609235262 /nfs/dbraw/zinc/23/52/62/609235262.db2.gz ZSTOUBRDWPPSHA-GOSISDBHSA-N 1 0 396.451 1.788 20 0 GDADRO OC1CCN(c2ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2-c2nn[nH]n2)CC1 ZINC000826507306 609241135 /nfs/dbraw/zinc/24/11/35/609241135.db2.gz MERAXFXJLIRUJZ-CVEARBPZSA-N 1 0 383.500 1.867 20 0 GDADRO O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826429397 609245173 /nfs/dbraw/zinc/24/51/73/609245173.db2.gz BJHJSDIBDGKUDE-DAWZGUTISA-N 1 0 384.484 1.813 20 0 GDADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826160330 609248950 /nfs/dbraw/zinc/24/89/50/609248950.db2.gz OLVFMIMQNOJNME-KXBFYZLASA-N 1 0 394.479 1.891 20 0 GDADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826160293 609249270 /nfs/dbraw/zinc/24/92/70/609249270.db2.gz MLZLGPAPLDCWHE-BEFAXECRSA-N 1 0 394.479 1.891 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824640799 609318674 /nfs/dbraw/zinc/31/86/74/609318674.db2.gz PBYYRUVKNISHPS-STQMWFEESA-N 1 0 391.501 1.193 20 0 GDADRO CC(C)S(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824554016 609338092 /nfs/dbraw/zinc/33/80/92/609338092.db2.gz LPQIDPGFWRJXSH-GFCCVEGCSA-N 1 0 396.492 1.859 20 0 GDADRO Cn1cc(C[NH2+]CCNc2ccccn2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361563 609340660 /nfs/dbraw/zinc/34/06/60/609340660.db2.gz CQENFEVZEXWBON-UHFFFAOYSA-N 1 0 375.440 1.864 20 0 GDADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826059892 609343015 /nfs/dbraw/zinc/34/30/15/609343015.db2.gz BUYSRUJWVCASBB-JKSUJKDBSA-N 1 0 380.456 1.272 20 0 GDADRO Cn1cc(C[NH2+]CCOc2ncccc2F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361608 609343517 /nfs/dbraw/zinc/34/35/17/609343517.db2.gz FMECIDKCIBHTNR-UHFFFAOYSA-N 1 0 394.414 1.970 20 0 GDADRO COCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826159644 609357143 /nfs/dbraw/zinc/35/71/43/609357143.db2.gz MOUFEQBNWUMUFD-UHFFFAOYSA-N 1 0 381.278 1.393 20 0 GDADRO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C[C@@H]1CCCC[C@@H]1O ZINC000825892836 609375566 /nfs/dbraw/zinc/37/55/66/609375566.db2.gz VNPRBAQMFCMSNL-NHYWBVRUSA-N 1 0 378.864 1.942 20 0 GDADRO OC[C@@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccc(Br)cc1 ZINC000826508718 609428151 /nfs/dbraw/zinc/42/81/51/609428151.db2.gz ZUKOQTCHALTDQN-CQSZACIVSA-N 1 0 375.230 1.847 20 0 GDADRO CC[C@@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000825176139 609529915 /nfs/dbraw/zinc/52/99/15/609529915.db2.gz HLMURQACVBNUKE-ZWKOTPCHSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000824950059 609538484 /nfs/dbraw/zinc/53/84/84/609538484.db2.gz ZRHZZGVAYJUKQK-NEPJUHHUSA-N 1 0 398.920 1.919 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826488736 609539314 /nfs/dbraw/zinc/53/93/14/609539314.db2.gz XWXCDPMHBHGDPV-QWHCGFSZSA-N 1 0 382.877 1.425 20 0 GDADRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000825860007 609565072 /nfs/dbraw/zinc/56/50/72/609565072.db2.gz KAKRDPUTNRKPJG-UHFFFAOYSA-N 1 0 384.893 1.482 20 0 GDADRO CC(C)NS(=O)(=O)CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531078595 649986868 /nfs/dbraw/zinc/98/68/68/649986868.db2.gz ADQJYGGJDDOLCO-OAHLLOKOSA-N 1 0 390.937 1.570 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000531685458 649994995 /nfs/dbraw/zinc/99/49/95/649994995.db2.gz QTFBLZNJODNSQA-YOEHRIQHSA-N 1 0 386.539 1.585 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC000532786290 650033735 /nfs/dbraw/zinc/03/37/35/650033735.db2.gz OYUMHXKAKGUBBV-LBPRGKRZSA-N 1 0 389.880 1.264 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)S(C)(=O)=O ZINC000533129863 650042860 /nfs/dbraw/zinc/04/28/60/650042860.db2.gz RKNQNQNOCJSKQP-CQSZACIVSA-N 1 0 390.933 1.574 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(S(N)(=O)=O)s1)Cc1ccccc1 ZINC000533809074 650214256 /nfs/dbraw/zinc/21/42/56/650214256.db2.gz BFWGYHKRDUXINW-AWEZNQCLSA-N 1 0 381.523 1.227 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CSCc2cc(=O)n3ccsc3n2)C[C@@H]1C ZINC000535028883 650238581 /nfs/dbraw/zinc/23/85/81/650238581.db2.gz QYGBZFIAOWODSM-QWHCGFSZSA-N 1 0 380.539 1.930 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1Br ZINC000536016154 650263167 /nfs/dbraw/zinc/26/31/67/650263167.db2.gz BBQIMVPMSBBPGF-UHFFFAOYSA-N 1 0 393.241 1.441 20 0 GDADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCNC1=O ZINC000536174376 650266490 /nfs/dbraw/zinc/26/64/90/650266490.db2.gz MLRYWUFFAOTOOK-JQWIXIFHSA-N 1 0 377.666 1.663 20 0 GDADRO O=S1(=O)CCO[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000536637769 650274869 /nfs/dbraw/zinc/27/48/69/650274869.db2.gz IDRDAUXVORZOQP-CQSZACIVSA-N 1 0 388.283 1.628 20 0 GDADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000538523900 650313514 /nfs/dbraw/zinc/31/35/14/650313514.db2.gz RVSGYKCFURQRIN-YNEHKIRRSA-N 1 0 388.917 1.939 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCSCC(F)(F)F)CC1 ZINC000538780336 650322561 /nfs/dbraw/zinc/32/25/61/650322561.db2.gz VQMCMGNEGKPVNW-UHFFFAOYSA-N 1 0 382.452 1.232 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000540514616 650361273 /nfs/dbraw/zinc/36/12/73/650361273.db2.gz SAPVKSBDWYADRV-UHFFFAOYSA-N 1 0 391.331 1.774 20 0 GDADRO CS[C@H]1CN(CC(=O)Nc2ccnn2Cc2cccs2)C[C@@H]1[NH+](C)C ZINC000540591758 650364240 /nfs/dbraw/zinc/36/42/40/650364240.db2.gz ZCDJYOSUNZEJNN-GJZGRUSLSA-N 1 0 379.555 1.909 20 0 GDADRO C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000540723254 650368816 /nfs/dbraw/zinc/36/88/16/650368816.db2.gz HNWCLHDZPQBERW-HUBLWGQQSA-N 1 0 386.514 1.892 20 0 GDADRO C[C@H](C[S@@](C)=O)[NH2+][C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000542489074 650406434 /nfs/dbraw/zinc/40/64/34/650406434.db2.gz UOTQMWWVMYYVCP-GQOCTFISSA-N 1 0 385.961 1.935 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000543610342 650424447 /nfs/dbraw/zinc/42/44/47/650424447.db2.gz CEWLDSNPRWODOT-UHFFFAOYSA-N 1 0 391.921 1.800 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000545193343 650451077 /nfs/dbraw/zinc/45/10/77/650451077.db2.gz JLXKPGUOUGZAAF-OAHLLOKOSA-N 1 0 397.317 1.429 20 0 GDADRO COc1cc2c(cc1C[NH2+]CCN(C)S(=O)(=O)c1cccs1)OCO2 ZINC000545352313 650454579 /nfs/dbraw/zinc/45/45/79/650454579.db2.gz AKXNCFUBSIFOLA-UHFFFAOYSA-N 1 0 384.479 1.896 20 0 GDADRO C[NH+](C)CC1(CNC(=O)CSc2nnnn2CC(F)(F)F)CCCC1 ZINC000545372618 650456480 /nfs/dbraw/zinc/45/64/80/650456480.db2.gz SJSUKICNRKEMNY-UHFFFAOYSA-N 1 0 380.440 1.566 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000545868020 650463198 /nfs/dbraw/zinc/46/31/98/650463198.db2.gz QOHHMYRWSVGJOU-UHFFFAOYSA-N 1 0 396.264 1.742 20 0 GDADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000546180043 650473600 /nfs/dbraw/zinc/47/36/00/650473600.db2.gz DMJNDTCQBNGKOC-MRXNPFEDSA-N 1 0 381.885 1.898 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(Br)c1 ZINC000546587787 650480121 /nfs/dbraw/zinc/48/01/21/650480121.db2.gz RRSGPJGEWPZJGR-INIZCTEOSA-N 1 0 384.274 1.187 20 0 GDADRO CS(=O)(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000546885878 650489350 /nfs/dbraw/zinc/48/93/50/650489350.db2.gz QEVIQDLPDLMWAK-INIZCTEOSA-N 1 0 381.885 1.898 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000547275567 650493420 /nfs/dbraw/zinc/49/34/20/650493420.db2.gz FAARFYCZAXAOSG-ZDUSSCGKSA-N 1 0 396.175 1.366 20 0 GDADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000547275456 650493474 /nfs/dbraw/zinc/49/34/74/650493474.db2.gz DFSDRFRSSURHDK-SJKOYZFVSA-N 1 0 383.286 1.841 20 0 GDADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000547276342 650493641 /nfs/dbraw/zinc/49/36/41/650493641.db2.gz YZLXHCUFCHJKAW-YJBOKZPZSA-N 1 0 399.329 1.827 20 0 GDADRO C[C@@H]1C[NH+](CCCCNc2ncc(I)cn2)C[C@@H](C)O1 ZINC000547328920 650495396 /nfs/dbraw/zinc/49/53/96/650495396.db2.gz OBWYTBIIZXJENE-VXGBXAGGSA-N 1 0 390.269 2.383 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000547625818 650509868 /nfs/dbraw/zinc/50/98/68/650509868.db2.gz QOQGJLWWRWDQDH-HUUCEWRRSA-N 1 0 387.502 1.125 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(Br)cc1O ZINC000547746565 650514665 /nfs/dbraw/zinc/51/46/65/650514665.db2.gz LFCCNEPEIPASSU-CYBMUJFWSA-N 1 0 384.274 1.153 20 0 GDADRO Cn1cnc(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)n1 ZINC000547827199 650516878 /nfs/dbraw/zinc/51/68/78/650516878.db2.gz BSUBJOFFPBQRMC-LBPRGKRZSA-N 1 0 385.287 1.628 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cnc2cccc(C)n12 ZINC000547849170 650517359 /nfs/dbraw/zinc/51/73/59/650517359.db2.gz MGJTWGQAFYUGBP-UHFFFAOYSA-N 1 0 381.483 1.181 20 0 GDADRO O=S1(=O)CC[C@@H]([NH2+]CC2(CO)COC2)c2cc(Br)ccc21 ZINC000548481969 650546998 /nfs/dbraw/zinc/54/69/98/650546998.db2.gz FXQWUUXSOCCGBR-GFCCVEGCSA-N 1 0 376.272 1.266 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc2c(c1)ncn2C ZINC000548504713 650547547 /nfs/dbraw/zinc/54/75/47/650547547.db2.gz APXGQGIAYFZCIU-UHFFFAOYSA-N 1 0 381.483 1.112 20 0 GDADRO O=C(NCc1n[nH]cc1Br)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548831775 650565570 /nfs/dbraw/zinc/56/55/70/650565570.db2.gz VJCKSBASOIZWDB-LBPRGKRZSA-N 1 0 386.294 1.426 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCN(CC(F)(F)F)CC1 ZINC000550079612 650588292 /nfs/dbraw/zinc/58/82/92/650588292.db2.gz NMRQIERYNNPVKM-KBPBESRZSA-N 1 0 385.496 1.910 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C1CCC(O)(C(F)(F)F)CC1)c1cccs1 ZINC000552923100 650634965 /nfs/dbraw/zinc/63/49/65/650634965.db2.gz HOVXYRSWUBTOKG-AKJDGMEZSA-N 1 0 387.445 1.708 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000553940416 650664491 /nfs/dbraw/zinc/66/44/91/650664491.db2.gz HBBYROAAIHYWKD-HOTGVXAUSA-N 1 0 376.567 1.276 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000553942770 650664516 /nfs/dbraw/zinc/66/45/16/650664516.db2.gz CAACWADIDIBPJW-GJZGRUSLSA-N 1 0 375.535 1.094 20 0 GDADRO O=S(=O)(NCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000554377865 650674154 /nfs/dbraw/zinc/67/41/54/650674154.db2.gz VKMKYFJQFGRKMI-MFKMUULPSA-N 1 0 388.358 1.943 20 0 GDADRO CC(C)[NH+](CCNC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1)C(C)C ZINC000554451241 650675206 /nfs/dbraw/zinc/67/52/06/650675206.db2.gz UKESDUNTAACOGW-MRXNPFEDSA-N 1 0 376.567 1.418 20 0 GDADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCc1ccc(Br)s1 ZINC000555810287 650696139 /nfs/dbraw/zinc/69/61/39/650696139.db2.gz PAWZGFQDCLBTML-LLVKDONJSA-N 1 0 388.331 1.722 20 0 GDADRO C[C@@H](NC(=O)c1cccc(I)c1)C(=O)NCC[NH+](C)C ZINC000556905372 650714359 /nfs/dbraw/zinc/71/43/59/650714359.db2.gz QFXDIEFDRVIMMO-SNVBAGLBSA-N 1 0 389.237 1.087 20 0 GDADRO CCC[N@H+](C)CC(=O)NC[C@@H](Oc1ccc(Br)cc1)C(=O)OC ZINC000557204395 650721278 /nfs/dbraw/zinc/72/12/78/650721278.db2.gz WQBYNGRBFXCMTG-CQSZACIVSA-N 1 0 387.274 1.828 20 0 GDADRO CC(C)(C)n1ncc(NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1=O ZINC000557318163 650723023 /nfs/dbraw/zinc/72/30/23/650723023.db2.gz ZDEJCFZHDPKBDC-LLVKDONJSA-N 1 0 381.830 1.900 20 0 GDADRO O=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000557362193 650723593 /nfs/dbraw/zinc/72/35/93/650723593.db2.gz OSSUJFDFWMTUKZ-DZGCQCFKSA-N 1 0 383.539 1.502 20 0 GDADRO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[NH+]1CC(C)C1 ZINC000557487663 650726882 /nfs/dbraw/zinc/72/68/82/650726882.db2.gz DERXEKJUDFVKHB-GFCCVEGCSA-N 1 0 391.946 1.575 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000557248399 650722054 /nfs/dbraw/zinc/72/20/54/650722054.db2.gz DDKQCQSYBHOUCT-LSDHHAIUSA-N 1 0 380.286 1.680 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000563952559 650744628 /nfs/dbraw/zinc/74/46/28/650744628.db2.gz LDVMHIMAKMGDPZ-INIZCTEOSA-N 1 0 398.345 1.842 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000564064056 650746872 /nfs/dbraw/zinc/74/68/72/650746872.db2.gz CAFAPJKRPVMROK-OAHLLOKOSA-N 1 0 395.301 1.631 20 0 GDADRO Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000564077079 650747031 /nfs/dbraw/zinc/74/70/31/650747031.db2.gz ZIIVXPVKCNHCCQ-CQSZACIVSA-N 1 0 384.885 1.825 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000564698601 650764873 /nfs/dbraw/zinc/76/48/73/650764873.db2.gz YCDCPCDYISMKDJ-LSDHHAIUSA-N 1 0 377.865 1.838 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)ccc1S(N)(=O)=O ZINC000564723233 650765510 /nfs/dbraw/zinc/76/55/10/650765510.db2.gz INDKBIHYFMMXHQ-CQSZACIVSA-N 1 0 384.885 1.825 20 0 GDADRO CN(Cc1nnc2n1CCC2)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000564572666 650761785 /nfs/dbraw/zinc/76/17/85/650761785.db2.gz OOKJEXXGPMIENE-INIZCTEOSA-N 1 0 378.274 1.819 20 0 GDADRO CN(CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000564654743 650763935 /nfs/dbraw/zinc/76/39/35/650763935.db2.gz CVWJQHYSDGFVRL-WDEREUQCSA-N 1 0 377.919 1.232 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000564657375 650764002 /nfs/dbraw/zinc/76/40/02/650764002.db2.gz DLBGBHVPWRXYRQ-SECBINFHSA-N 1 0 375.219 1.685 20 0 GDADRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2S(N)(=O)=O)cc1 ZINC000564869384 650770839 /nfs/dbraw/zinc/77/08/39/650770839.db2.gz VTQUVIVEAXZLFS-AWEZNQCLSA-N 1 0 382.507 1.585 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000564940663 650773604 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O=C(NCc1sccc1Br)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565471747 650798219 /nfs/dbraw/zinc/79/82/19/650798219.db2.gz FLMLRCRMEAXXMT-HNNXBMFYSA-N 1 0 386.315 1.729 20 0 GDADRO CC[N@H+]1C[C@@H](C)N(C(=O)CSCc2cc(=O)n3ccsc3n2)[C@@H](C)C1 ZINC000565505914 650800192 /nfs/dbraw/zinc/80/01/92/650800192.db2.gz QGNWBBOBYGCCDJ-BETUJISGSA-N 1 0 380.539 1.930 20 0 GDADRO CC(C)(CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1Br ZINC000565538719 650801537 /nfs/dbraw/zinc/80/15/37/650801537.db2.gz WAFXGKGFYSUAJS-CQSZACIVSA-N 1 0 382.302 1.711 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000565588158 650804340 /nfs/dbraw/zinc/80/43/40/650804340.db2.gz AINFXHLUNCLINZ-UHFFFAOYSA-N 1 0 387.253 1.161 20 0 GDADRO CN(C[C@H](O)C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716651 650809892 /nfs/dbraw/zinc/80/98/92/650809892.db2.gz KIMFZIBXJJUBBC-UKRRQHHQSA-N 1 0 389.309 1.784 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1OC ZINC000565774369 650812529 /nfs/dbraw/zinc/81/25/29/650812529.db2.gz VHOZVAFEESMDOC-BXKDBHETSA-N 1 0 376.862 1.493 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1F ZINC000565782099 650813227 /nfs/dbraw/zinc/81/32/27/650813227.db2.gz COTJDCGMKHLWRR-NWDGAFQWSA-N 1 0 393.506 1.476 20 0 GDADRO NS(=O)(=O)CCCC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000565946078 650822330 /nfs/dbraw/zinc/82/23/30/650822330.db2.gz FPARNDVPZULHFA-UHFFFAOYSA-N 1 0 378.292 1.436 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000565951392 650822810 /nfs/dbraw/zinc/82/28/10/650822810.db2.gz RVWNGVFCYQXVEN-NXEZZACHSA-N 1 0 380.297 1.467 20 0 GDADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000566211790 650835010 /nfs/dbraw/zinc/83/50/10/650835010.db2.gz KPBGLOUQZPENCK-SWLSCSKDSA-N 1 0 385.917 1.296 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000566224682 650836451 /nfs/dbraw/zinc/83/64/51/650836451.db2.gz ZCTBLGGNDLGGFC-VIFPVBQESA-N 1 0 382.711 1.284 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1cccs1 ZINC000566230762 650836600 /nfs/dbraw/zinc/83/66/00/650836600.db2.gz CTFOHFXNJZNQAW-LSDHHAIUSA-N 1 0 389.926 1.729 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CCN2C1=O ZINC000566490036 650852358 /nfs/dbraw/zinc/85/23/58/650852358.db2.gz CAFZLGPJOWHZFL-SWLSCSKDSA-N 1 0 381.267 1.318 20 0 GDADRO O=C(CNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[NH2+]CC1 ZINC000566551560 650855077 /nfs/dbraw/zinc/85/50/77/650855077.db2.gz QIDDIPZONGSZSO-GXTWGEPZSA-N 1 0 381.274 1.036 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000566673793 650862797 /nfs/dbraw/zinc/86/27/97/650862797.db2.gz APSBAKJQDCMOJW-YPMHNXCESA-N 1 0 380.304 1.602 20 0 GDADRO O=C1NC(=O)C2(CCC([NH2+][C@H](CCO)c3ccccc3Br)CC2)N1 ZINC000566875390 650871587 /nfs/dbraw/zinc/87/15/87/650871587.db2.gz ZQNBLFBGICLBPA-CHHLVHLRSA-N 1 0 396.285 1.983 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)NCCC[N@H+](C)CCN(C)C ZINC000567081694 650884243 /nfs/dbraw/zinc/88/42/43/650884243.db2.gz BBOFYCDYMRFLNL-UHFFFAOYSA-N 1 0 387.322 1.774 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000567221170 650893448 /nfs/dbraw/zinc/89/34/48/650893448.db2.gz RVWVAAZENLHKDJ-LBPRGKRZSA-N 1 0 398.305 1.883 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000567271804 650897097 /nfs/dbraw/zinc/89/70/97/650897097.db2.gz WGFNMJWIKBGMIL-GHMZBOCLSA-N 1 0 394.324 1.858 20 0 GDADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000567269497 650897129 /nfs/dbraw/zinc/89/71/29/650897129.db2.gz IBLYHSRBFUGQJO-QLHKPRNWSA-N 1 0 379.404 1.817 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)C1 ZINC000567454706 650905004 /nfs/dbraw/zinc/90/50/04/650905004.db2.gz VUIMXLOLDGNCQI-AWEZNQCLSA-N 1 0 388.559 1.284 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000567479440 650907034 /nfs/dbraw/zinc/90/70/34/650907034.db2.gz HDRUPYPJKBJKBR-SDJAHQOYSA-N 1 0 380.286 1.535 20 0 GDADRO C[C@@H](OC[C@@H](O)C[NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000567687874 650914731 /nfs/dbraw/zinc/91/47/31/650914731.db2.gz DRPHUEDUIAIVAR-XYPHTWIQSA-N 1 0 390.933 1.792 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1CC=CCC1 ZINC000567680980 650914741 /nfs/dbraw/zinc/91/47/41/650914741.db2.gz JUBFKWNBVBTGIW-OAHLLOKOSA-N 1 0 386.539 1.657 20 0 GDADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=S)NCCC[NH+](C)C ZINC000053585143 644446709 /nfs/dbraw/zinc/44/67/09/644446709.db2.gz APRHZPHQOGLQEX-UHFFFAOYSA-N 1 0 386.587 1.430 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000054957594 644465108 /nfs/dbraw/zinc/46/51/08/644465108.db2.gz CODNVFFDHMRZEV-CYBMUJFWSA-N 1 0 382.559 1.547 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])ccc1Br ZINC000567865963 650925146 /nfs/dbraw/zinc/92/51/46/650925146.db2.gz KCWOHKRXIDCBFP-DTWKUNHWSA-N 1 0 386.246 1.416 20 0 GDADRO O=C(COc1ccc(F)cc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061650530 644514375 /nfs/dbraw/zinc/51/43/75/644514375.db2.gz RDHNAHKOXDTAKF-QWHCGFSZSA-N 1 0 387.249 1.946 20 0 GDADRO C[NH+]1CCC(NC(=S)NNC(=O)c2ccc(F)cc2Br)CC1 ZINC000063149892 644519545 /nfs/dbraw/zinc/51/95/45/644519545.db2.gz OFPSVVDZVPVYQZ-UHFFFAOYSA-N 1 0 389.294 1.791 20 0 GDADRO C[N@H+](CCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000063697526 644522726 /nfs/dbraw/zinc/52/27/26/644522726.db2.gz QGVQMVSAYHRMFM-UHFFFAOYSA-N 1 0 381.885 1.849 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000567913558 650929065 /nfs/dbraw/zinc/92/90/65/650929065.db2.gz KBLWWSBCYDFORJ-SKDRFNHKSA-N 1 0 378.281 1.092 20 0 GDADRO C[NH+](C)CCCCNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000567940331 650930552 /nfs/dbraw/zinc/93/05/52/650930552.db2.gz TYTATEXXBLTZSK-UHFFFAOYSA-N 1 0 382.313 1.730 20 0 GDADRO C=C(C)CNC(=[NH2+])NC[C@@H](O)COc1ccc(I)cc1 ZINC000104192107 644605543 /nfs/dbraw/zinc/60/55/43/644605543.db2.gz VJFAMHDVZKAVSN-GFCCVEGCSA-N 1 0 389.237 1.511 20 0 GDADRO CN1CCN(CC(=O)N2CCO[C@@H](c3ccccc3Br)C2)CC1 ZINC000111592638 644628351 /nfs/dbraw/zinc/62/83/51/644628351.db2.gz SMIUVBWCHKCQPH-MRXNPFEDSA-N 1 0 382.302 1.596 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000111860635 644628962 /nfs/dbraw/zinc/62/89/62/644628962.db2.gz PCXXZWMEUMNSRU-LRDDRELGSA-N 1 0 389.327 1.962 20 0 GDADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000568149639 650938751 /nfs/dbraw/zinc/93/87/51/650938751.db2.gz UVOREHXAXJRUBG-CYBMUJFWSA-N 1 0 379.302 1.814 20 0 GDADRO CC[N@H+](CCNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1 ZINC000118997018 644654829 /nfs/dbraw/zinc/65/48/29/644654829.db2.gz GGECSCIQXRGDFS-UHFFFAOYSA-N 1 0 386.440 1.084 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000123598347 644697824 /nfs/dbraw/zinc/69/78/24/644697824.db2.gz NCZHXUPKXYJRQE-JTQLQIEISA-N 1 0 377.260 1.348 20 0 GDADRO CCOC(C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)OCC ZINC000124292114 644705933 /nfs/dbraw/zinc/70/59/33/644705933.db2.gz 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CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423580316 646133195 /nfs/dbraw/zinc/13/31/95/646133195.db2.gz RKEAGXXCBWFOEN-NORZTCDRSA-N 1 0 394.313 1.918 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000423583764 646133958 /nfs/dbraw/zinc/13/39/58/646133958.db2.gz ZRDQXLZCFGOUPH-UHFFFAOYSA-N 1 0 384.274 1.238 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000423583937 646133983 /nfs/dbraw/zinc/13/39/83/646133983.db2.gz ZYBCHCMHGMHBHP-KRWDZBQOSA-N 1 0 396.285 1.367 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000423613281 646136975 /nfs/dbraw/zinc/13/69/75/646136975.db2.gz VGSFRIWHXAKYLL-HIFRSBDPSA-N 1 0 394.313 1.660 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000423611300 646137210 /nfs/dbraw/zinc/13/72/10/646137210.db2.gz NTDWCLSHWFAMFI-HIFRSBDPSA-N 1 0 380.286 1.585 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)[C@@H](C[NH3+])C1 ZINC000423671239 646141434 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Cn1cc([C@@H]2CN(C(=O)COc3ccc(Br)cc3)C[C@H]2[NH3+])cn1 ZINC000424220603 646165453 /nfs/dbraw/zinc/16/54/53/646165453.db2.gz AIVUSPUMMORJIK-LSDHHAIUSA-N 1 0 379.258 1.515 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000892446761 658327266 /nfs/dbraw/zinc/32/72/66/658327266.db2.gz JMTNBGHKTVZIJZ-HOCLYGCPSA-N 1 0 388.555 1.630 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440443698 646243475 /nfs/dbraw/zinc/24/34/75/646243475.db2.gz MHQGWVCCNPWRLL-LBPRGKRZSA-N 1 0 375.288 1.973 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc1Br ZINC000440733696 646253476 /nfs/dbraw/zinc/25/34/76/646253476.db2.gz KJHGNLKYCHIBKF-LBPRGKRZSA-N 1 0 378.292 1.669 20 0 GDADRO CCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000917989609 660226776 /nfs/dbraw/zinc/22/67/76/660226776.db2.gz AFMJNNDVTMQQCI-KRWDZBQOSA-N 1 0 375.535 1.649 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3cscc3Br)C2)CC1 ZINC000917891094 660223916 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GDADRO O=C(COC(=O)CCn1cc(Br)cn1)NC1CC[NH+](C2CC2)CC1 ZINC000919575272 660254740 /nfs/dbraw/zinc/25/47/40/660254740.db2.gz YIVMEFQUGDVFRU-UHFFFAOYSA-N 1 0 399.289 1.322 20 0 GDADRO Cc1[nH]nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c1Br ZINC000919748630 660257473 /nfs/dbraw/zinc/25/74/73/660257473.db2.gz VRUNCWDEQAUAEJ-UHFFFAOYSA-N 1 0 379.262 1.880 20 0 GDADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1(C)C ZINC000443077694 647178420 /nfs/dbraw/zinc/17/84/20/647178420.db2.gz FWJIEVLYUUFGEV-UHFFFAOYSA-N 1 0 380.436 1.405 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)NCC[C@H]2CCC[NH2+]2)c1F ZINC000444273069 647248085 /nfs/dbraw/zinc/24/80/85/647248085.db2.gz ZQEIZDQRBMFQTL-SNVBAGLBSA-N 1 0 393.278 1.864 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)CC[C@@H]1CC1(Cl)Cl)C2 ZINC000920276607 660268727 /nfs/dbraw/zinc/26/87/27/660268727.db2.gz XSQPFBLWCRODLV-ZSAUSMIDSA-N 1 0 399.384 1.969 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(Cl)n1 ZINC000920276280 660268813 /nfs/dbraw/zinc/26/88/13/660268813.db2.gz VYNYOESLLWGGAS-GKLJAUDBSA-N 1 0 387.933 1.801 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cccnc3Cl)C2)[C@@H]1C(C)C ZINC000920296638 660269193 /nfs/dbraw/zinc/26/91/93/660269193.db2.gz VGFBBXHCACEABM-LGWLGOQQSA-N 1 0 387.933 1.883 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3sccc3OC)C2)[C@H]1C(C)C ZINC000920301577 660269262 /nfs/dbraw/zinc/26/92/62/660269262.db2.gz FFUDXPQZJILSPV-SMKXDYDZSA-N 1 0 388.555 1.905 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3c[nH]nc3Cl)C2)[C@H]1C(C)C ZINC000920303992 660269824 /nfs/dbraw/zinc/26/98/24/660269824.db2.gz VTWGISPZPJZAAK-CVMIBZJCSA-N 1 0 376.910 1.211 20 0 GDADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000445537044 647268956 /nfs/dbraw/zinc/26/89/56/647268956.db2.gz GMKKQNPBTUNZKH-SNVBAGLBSA-N 1 0 382.873 1.441 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)N(C)CC3)C[C@H]1[NH+]1CCCC1 ZINC000445745807 647273709 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O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452397459 647322875 /nfs/dbraw/zinc/32/28/75/647322875.db2.gz ZVJVHXGWVOAETJ-ZDUSSCGKSA-N 1 0 388.295 1.686 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1c[nH]c2ncc(Br)cc12 ZINC000452779781 647324888 /nfs/dbraw/zinc/32/48/88/647324888.db2.gz CPMDKFMUEGYPLG-LBPRGKRZSA-N 1 0 381.274 1.902 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1Br ZINC000453818283 647339722 /nfs/dbraw/zinc/33/97/22/647339722.db2.gz LHUBJEZPFAAXHQ-AWEZNQCLSA-N 1 0 398.301 1.659 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1nn(C)cc1I ZINC000454622568 647358446 /nfs/dbraw/zinc/35/84/46/647358446.db2.gz BDRQIAJVRIMDRU-SNVBAGLBSA-N 1 0 393.273 1.554 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1 ZINC000454634414 647358512 /nfs/dbraw/zinc/35/85/12/647358512.db2.gz UJIVDRQGVUXELR-VWLOTQADSA-N 1 0 375.535 1.204 20 0 GDADRO C[C@@H](CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)[NH+](C)C ZINC000455429801 647378867 /nfs/dbraw/zinc/37/88/67/647378867.db2.gz JXZHDAUCBRIQKZ-FZMZJTMJSA-N 1 0 383.290 1.804 20 0 GDADRO CC1([NH+]2CCCC2)CCC(NS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000921282023 660285554 /nfs/dbraw/zinc/28/55/54/660285554.db2.gz SXIRKTJGWXYVFV-GTPINHCMSA-N 1 0 392.587 1.528 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000455952692 647393883 /nfs/dbraw/zinc/39/38/83/647393883.db2.gz JOGGKYUXTAJUIA-NSHDSACASA-N 1 0 386.294 1.752 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1nn(C)cc1I ZINC000456498525 647402913 /nfs/dbraw/zinc/40/29/13/647402913.db2.gz ATBTWOYOGSASKV-LBPRGKRZSA-N 1 0 376.242 1.515 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCC(C[NH3+])CC1 ZINC000457376622 647418967 /nfs/dbraw/zinc/41/89/67/647418967.db2.gz ZGEGLMJKDJDJML-UHFFFAOYSA-N 1 0 389.315 1.972 20 0 GDADRO Cn1ncc(I)c1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458204994 647438010 /nfs/dbraw/zinc/43/80/10/647438010.db2.gz KRZPSTSFGZMSRW-JTQLQIEISA-N 1 0 376.242 1.486 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000460266841 647468778 /nfs/dbraw/zinc/46/87/78/647468778.db2.gz TWKMGWBDBUVEQG-XJKSGUPXSA-N 1 0 384.274 1.639 20 0 GDADRO CC(C)CC[NH+]1CCC(CNC(=O)NC(C)(C)CNS(C)(=O)=O)CC1 ZINC000921363422 660293168 /nfs/dbraw/zinc/29/31/68/660293168.db2.gz YAHQODKSRREOMY-UHFFFAOYSA-N 1 0 376.567 1.372 20 0 GDADRO C[C@H](Nc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)C(C)(C)C[NH+](C)C ZINC000461946475 647504185 /nfs/dbraw/zinc/50/41/85/647504185.db2.gz FZNVNCZFJCTSHY-NSHDSACASA-N 1 0 377.532 1.126 20 0 GDADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000462115878 647511064 /nfs/dbraw/zinc/51/10/64/647511064.db2.gz JLRKIKKEKWXVDW-UHFFFAOYSA-N 1 0 376.519 1.092 20 0 GDADRO CN(C)S(=O)(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000462311453 647522098 /nfs/dbraw/zinc/52/20/98/647522098.db2.gz BJWPVNCMDLURNT-UHFFFAOYSA-N 1 0 380.436 1.353 20 0 GDADRO O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462669565 647537854 /nfs/dbraw/zinc/53/78/54/647537854.db2.gz KJINFDHUHPRNGY-PBHICJAKSA-N 1 0 383.539 1.503 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ncncc2Cl)c1 ZINC000462760642 647543772 /nfs/dbraw/zinc/54/37/72/647543772.db2.gz HJTDJSQZEBIGQV-UHFFFAOYSA-N 1 0 383.861 1.222 20 0 GDADRO [NH3+]Cc1cc(C(=O)NC[C@H](O)COc2ccccc2Br)ccn1 ZINC000463479328 647560271 /nfs/dbraw/zinc/56/02/71/647560271.db2.gz ANNBDQPSSXXECC-ZDUSSCGKSA-N 1 0 380.242 1.473 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)CC)C1 ZINC000464550969 647583923 /nfs/dbraw/zinc/58/39/23/647583923.db2.gz QPKHXNKHCXEWRZ-LSDHHAIUSA-N 1 0 379.592 1.238 20 0 GDADRO COc1ccc2c(c1)[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)CCS2 ZINC000467417760 647643372 /nfs/dbraw/zinc/64/33/72/647643372.db2.gz KVUHYWSDWYKQSA-HNNXBMFYSA-N 1 0 383.495 1.929 20 0 GDADRO C[NH+](C)CC[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)c1cccnc1 ZINC000921479698 660303749 /nfs/dbraw/zinc/30/37/49/660303749.db2.gz QBZZMYQQBAJHQD-HNNXBMFYSA-N 1 0 391.559 1.207 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1Cl ZINC000467498210 647644910 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CCOc1ccc(S(=O)(=O)NCCOCC[NH+](C)C)cc1Br ZINC000471644671 647750451 /nfs/dbraw/zinc/75/04/51/647750451.db2.gz NXDQNIFRTWAWQY-UHFFFAOYSA-N 1 0 395.319 1.704 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cn1)CN1CC[NH+](C)CC1 ZINC000472586711 647756595 /nfs/dbraw/zinc/75/65/95/647756595.db2.gz RFZIDBYUXNJVGO-LBPRGKRZSA-N 1 0 380.436 1.262 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474341232 647759041 /nfs/dbraw/zinc/75/90/41/647759041.db2.gz IFPHYKKDOUWCPZ-FZMZJTMJSA-N 1 0 375.300 1.572 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C[NH+](C)C ZINC000921629949 660316091 /nfs/dbraw/zinc/31/60/91/660316091.db2.gz DRUBIZWMPNJKGE-SNVBAGLBSA-N 1 0 398.934 1.742 20 0 GDADRO CN(C)c1cc(Br)cc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000477003592 647791051 /nfs/dbraw/zinc/79/10/51/647791051.db2.gz LPVABHMDUGVEPP-UHFFFAOYSA-N 1 0 384.318 1.949 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(I)c2)C1 ZINC000477093251 647794100 /nfs/dbraw/zinc/79/41/00/647794100.db2.gz 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647852246 /nfs/dbraw/zinc/85/22/46/647852246.db2.gz JLBNCKHYVCRKFX-UHFFFAOYSA-N 1 0 377.532 1.276 20 0 GDADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000921719616 660325710 /nfs/dbraw/zinc/32/57/10/660325710.db2.gz TVHPRTBBSJTLKN-UHFFFAOYSA-N 1 0 377.308 1.858 20 0 GDADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000921723079 660326173 /nfs/dbraw/zinc/32/61/73/660326173.db2.gz VQTKHZISHRIUED-UHFFFAOYSA-N 1 0 386.539 1.775 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000482148676 647894571 /nfs/dbraw/zinc/89/45/71/647894571.db2.gz GSOHIKZYGMZWHC-CQSZACIVSA-N 1 0 381.523 1.559 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)CC(C)C ZINC000482179539 647895604 /nfs/dbraw/zinc/89/56/04/647895604.db2.gz PXAUNOPCRSOHPK-HZPDHXFCSA-N 1 0 376.563 1.841 20 0 GDADRO O=c1[nH]c2cccc(C[NH2+]CC3CCN(S(=O)(=O)C(F)F)CC3)c2o1 ZINC000921735240 660328134 /nfs/dbraw/zinc/32/81/34/660328134.db2.gz QUGKLFFWUQSPPJ-UHFFFAOYSA-N 1 0 375.397 1.887 20 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C[C@@H](CNC(=O)c1nc2ncc(Br)cn2n1)[N@@H+]1CCCC[C@@H]1C ZINC000498481027 648059230 /nfs/dbraw/zinc/05/92/30/648059230.db2.gz WGTZMAKGGUQHBG-QWRGUYRKSA-N 1 0 381.278 1.880 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000498481564 648059676 /nfs/dbraw/zinc/05/96/76/648059676.db2.gz ZCKFKNDZOOGPDP-UHFFFAOYSA-N 1 0 384.274 1.949 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCc2cncs2)c1 ZINC000500107362 648101035 /nfs/dbraw/zinc/10/10/35/648101035.db2.gz HCPLWMQEVIUXLV-UHFFFAOYSA-N 1 0 382.511 1.554 20 0 GDADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000500216223 648104417 /nfs/dbraw/zinc/10/44/17/648104417.db2.gz DYHYZGWJDPCICQ-GFCCVEGCSA-N 1 0 392.319 1.333 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000500476307 648113966 /nfs/dbraw/zinc/11/39/66/648113966.db2.gz RVBGSNDXAGCPNS-BXUZGUMPSA-N 1 0 394.946 1.551 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(Cc2c(F)ccc(Br)c2F)CC1 ZINC000501079692 648128598 /nfs/dbraw/zinc/12/85/98/648128598.db2.gz 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COC(=O)c1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000503243756 648183931 /nfs/dbraw/zinc/18/39/31/648183931.db2.gz QGWKQOLRGRHQPO-HUUCEWRRSA-N 1 0 386.539 1.756 20 0 GDADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000503449142 648187025 /nfs/dbraw/zinc/18/70/25/648187025.db2.gz BMQKSKUOAHUIAZ-CABCVRRESA-N 1 0 379.592 1.427 20 0 GDADRO CC[N@H+](CC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br)C1CC1 ZINC000503902232 648200454 /nfs/dbraw/zinc/20/04/54/648200454.db2.gz QKPLTPQPVNEBOS-MRXNPFEDSA-N 1 0 380.286 1.933 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NCC[NH+]1CCC1 ZINC000506755136 648227549 /nfs/dbraw/zinc/22/75/49/648227549.db2.gz SVLNRGOZWLPMOL-UHFFFAOYSA-N 1 0 397.317 1.803 20 0 GDADRO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000508663272 648255249 /nfs/dbraw/zinc/25/52/49/648255249.db2.gz LYSADAMDMZIHQS-HZPDHXFCSA-N 1 0 376.567 1.468 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000508978508 648264156 /nfs/dbraw/zinc/26/41/56/648264156.db2.gz JGKHWOCCAJPYMS-LBPRGKRZSA-N 1 0 399.289 1.077 20 0 GDADRO CSc1cccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000509175064 648271521 /nfs/dbraw/zinc/27/15/21/648271521.db2.gz KOOPDAGVHUNMBB-UHFFFAOYSA-N 1 0 385.555 1.487 20 0 GDADRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(C)C ZINC000509985225 648310906 /nfs/dbraw/zinc/31/09/06/648310906.db2.gz HAFSZNVNUSFOOA-UHFFFAOYSA-N 1 0 391.921 1.717 20 0 GDADRO CC(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000510760389 648340695 /nfs/dbraw/zinc/34/06/95/648340695.db2.gz BRFLLTMDRLWHPE-SJORKVTESA-N 1 0 388.555 1.819 20 0 GDADRO C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)o1)C1=CC[N@H+](C)CC1 ZINC000510787320 648342422 /nfs/dbraw/zinc/34/24/22/648342422.db2.gz KKJKMWBJROBCOL-LLVKDONJSA-N 1 0 384.274 1.881 20 0 GDADRO CC(=O)NC1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000511035431 648351399 /nfs/dbraw/zinc/35/13/99/648351399.db2.gz DPVSORVVPUCZKR-UHFFFAOYSA-N 1 0 391.896 1.794 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000511260974 648363880 /nfs/dbraw/zinc/36/38/80/648363880.db2.gz NOWXXCZEZNFIEK-HIFRSBDPSA-N 1 0 380.432 1.930 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000511906427 648390638 /nfs/dbraw/zinc/39/06/38/648390638.db2.gz OZPQOOGYMGPWQV-HOTGVXAUSA-N 1 0 375.535 1.096 20 0 GDADRO O=C(COc1ccc(Br)cc1F)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512379384 648402807 /nfs/dbraw/zinc/40/28/07/648402807.db2.gz HSAXYLZRKBTFBD-CYBMUJFWSA-N 1 0 389.265 1.930 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](CO)c2ccc(Br)cc2)C1 ZINC000514229581 648451151 /nfs/dbraw/zinc/45/11/51/648451151.db2.gz SEKMEXFCMYFBBU-RISCZKNCSA-N 1 0 377.304 1.354 20 0 GDADRO O=C(C(=O)N1CCc2ccc(Br)cc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000515046792 648477218 /nfs/dbraw/zinc/47/72/18/648477218.db2.gz UCNPZWQDNXGLNS-KRWDZBQOSA-N 1 0 378.270 1.550 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000515049792 648477797 /nfs/dbraw/zinc/47/77/97/648477797.db2.gz RCKZULRECIBCLJ-UHFFFAOYSA-N 1 0 376.288 1.421 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515311665 648489214 /nfs/dbraw/zinc/48/92/14/648489214.db2.gz ROBAVSFARACCDO-SFHVURJKSA-N 1 0 394.313 1.976 20 0 GDADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000515351189 648492283 /nfs/dbraw/zinc/49/22/83/648492283.db2.gz BQJXYQWEWNNSET-SSDOTTSWSA-N 1 0 375.248 1.013 20 0 GDADRO CC(C)([NH3+])CNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000515381532 648493673 /nfs/dbraw/zinc/49/36/73/648493673.db2.gz SDLLPFQENLDBQP-UHFFFAOYSA-N 1 0 377.304 1.857 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2sccc2Br)CC1 ZINC000515709242 648506146 /nfs/dbraw/zinc/50/61/46/648506146.db2.gz IJJVJZFJPGFGCN-UHFFFAOYSA-N 1 0 396.376 1.817 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000516182291 648517075 /nfs/dbraw/zinc/51/70/75/648517075.db2.gz QOQDSBCFPSBIHE-KRWDZBQOSA-N 1 0 385.917 1.758 20 0 GDADRO Cc1sc2nc(C)nc(SCC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2c1C ZINC000516193299 648517520 /nfs/dbraw/zinc/51/75/20/648517520.db2.gz RERHKBUZCXZEIQ-STQMWFEESA-N 1 0 380.539 1.842 20 0 GDADRO CSC1(CNS(=O)(=O)c2c(C(F)F)c(C)nn2C)CC[NH+](C)CC1 ZINC000516747655 648534141 /nfs/dbraw/zinc/53/41/41/648534141.db2.gz YKFRBTXQCZYWDO-UHFFFAOYSA-N 1 0 382.502 1.772 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000516776712 648535897 /nfs/dbraw/zinc/53/58/97/648535897.db2.gz DIZOPYRDZRMQLZ-CQSZACIVSA-N 1 0 380.388 1.851 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C[C@H](O)CSC ZINC000517030659 648552446 /nfs/dbraw/zinc/55/24/46/648552446.db2.gz SEUWXQDKGCNNQK-FZMZJTMJSA-N 1 0 378.332 1.922 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000517235165 648561155 /nfs/dbraw/zinc/56/11/55/648561155.db2.gz DJABEVTUMRHRKT-UHFFFAOYSA-N 1 0 375.878 1.161 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000517570255 648569731 /nfs/dbraw/zinc/56/97/31/648569731.db2.gz VQIHJXMLYGALGD-QMMMGPOBSA-N 1 0 387.811 1.491 20 0 GDADRO COCC1(CNS(=O)(=O)c2cccc(Cl)c2C(=O)OC)CC[NH2+]CC1 ZINC000517743035 648576013 /nfs/dbraw/zinc/57/60/13/648576013.db2.gz XRTLCNDABILSBN-UHFFFAOYSA-N 1 0 390.889 1.421 20 0 GDADRO Cc1cccc(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c1Br ZINC000518536626 648602087 /nfs/dbraw/zinc/60/20/87/648602087.db2.gz GGBWZFXQYVPGDW-UHFFFAOYSA-N 1 0 389.315 1.541 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000518812015 648612242 /nfs/dbraw/zinc/61/22/42/648612242.db2.gz AVCLUWUIOWKWQS-BETUJISGSA-N 1 0 387.571 1.811 20 0 GDADRO O[C@H](C[NH2+]CC1(O)CCC1)COc1ccc(I)cc1 ZINC000518979967 648616992 /nfs/dbraw/zinc/61/69/92/648616992.db2.gz YGADJFJBNUOMRZ-GFCCVEGCSA-N 1 0 377.222 1.536 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C[C@@H]2CCCCN12 ZINC000519143187 648622542 /nfs/dbraw/zinc/62/25/42/648622542.db2.gz MVLABMRFFHLQEM-SQWLQELKSA-N 1 0 383.286 1.932 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)NCC(=O)N1CC[NH2+]CC1)CC2 ZINC000519591683 648630606 /nfs/dbraw/zinc/63/06/06/648630606.db2.gz FZGFQACBRSVZIQ-UHFFFAOYSA-N 1 0 395.301 1.257 20 0 GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000519738013 648638078 /nfs/dbraw/zinc/63/80/78/648638078.db2.gz VXWRVGKSQGTHPH-INIZCTEOSA-N 1 0 384.479 1.033 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cnc2c1Cl ZINC000519814451 648640727 /nfs/dbraw/zinc/64/07/27/648640727.db2.gz PHWPDFATZXTNRK-KBPBESRZSA-N 1 0 383.905 1.986 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000519825147 648641274 /nfs/dbraw/zinc/64/12/74/648641274.db2.gz KHZVEEZLOYUREF-HUUCEWRRSA-N 1 0 385.555 1.437 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000519828992 648641727 /nfs/dbraw/zinc/64/17/27/648641727.db2.gz ZPBMGHWJCCJDJD-OBJOEFQTSA-N 1 0 391.534 1.468 20 0 GDADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000520180654 648644965 /nfs/dbraw/zinc/64/49/65/648644965.db2.gz KWRDNNPXJBGMJP-ZDUSSCGKSA-N 1 0 399.285 1.781 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000521915852 648663423 /nfs/dbraw/zinc/66/34/23/648663423.db2.gz GFUCXIDTELCRNJ-UHFFFAOYSA-N 1 0 386.265 1.757 20 0 GDADRO CCN(C(=O)[C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000522548814 648678104 /nfs/dbraw/zinc/67/81/04/648678104.db2.gz MQICYFRREXAXDX-HRCADAONSA-N 1 0 375.579 1.367 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528334308 648712738 /nfs/dbraw/zinc/71/27/38/648712738.db2.gz HTTIBWZYEIUHFJ-GFCCVEGCSA-N 1 0 380.436 1.935 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000571031378 651063822 /nfs/dbraw/zinc/06/38/22/651063822.db2.gz LOBWRSPWDXAGHK-GFCCVEGCSA-N 1 0 382.302 1.612 20 0 GDADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000571523585 651078977 /nfs/dbraw/zinc/07/89/77/651078977.db2.gz LGRZIMMLAKCBRV-IIAWOOMASA-N 1 0 390.318 1.936 20 0 GDADRO C[C@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000571642824 651080300 /nfs/dbraw/zinc/08/03/00/651080300.db2.gz JJHPOTFKVMWGPW-GWCFXTLKSA-N 1 0 375.288 1.419 20 0 GDADRO NC(=O)NC(=O)CC[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000571658319 651080507 /nfs/dbraw/zinc/08/05/07/651080507.db2.gz ZNUOMWHWRNDXSQ-UHFFFAOYSA-N 1 0 384.274 1.672 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000572261486 651093575 /nfs/dbraw/zinc/09/35/75/651093575.db2.gz IBDQOKLFAAFGBO-GOEBONIOSA-N 1 0 397.317 1.706 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000572403528 651096361 /nfs/dbraw/zinc/09/63/61/651096361.db2.gz OOXUYRUMTDNXIN-UHFFFAOYSA-N 1 0 391.921 1.717 20 0 GDADRO O=C(NCc1ccc(Br)cc1N1CCOCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000572725305 651103706 /nfs/dbraw/zinc/10/37/06/651103706.db2.gz HJSDQMPKYGKPBV-CRAIPNDOSA-N 1 0 394.313 1.902 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000572740655 651104613 /nfs/dbraw/zinc/10/46/13/651104613.db2.gz ZNYJBGHAYGNAGI-GXFFZTMASA-N 1 0 398.326 1.909 20 0 GDADRO Cc1ccc(CS(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000572763090 651105118 /nfs/dbraw/zinc/10/51/18/651105118.db2.gz ONBYGNJDOHPGHJ-CQSZACIVSA-N 1 0 383.411 1.390 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000572942221 651463737 /nfs/dbraw/zinc/46/37/37/651463737.db2.gz DSROFERCCMXHII-QMMMGPOBSA-N 1 0 390.665 1.870 20 0 GDADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC ZINC000573142805 651468915 /nfs/dbraw/zinc/46/89/15/651468915.db2.gz MHUUUCNXGRXVDL-JKSUJKDBSA-N 1 0 376.519 1.091 20 0 GDADRO O[C@H](CNC[C@H](O)COc1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000573206744 651471464 /nfs/dbraw/zinc/47/14/64/651471464.db2.gz MCLFDZPWUCRVSS-CVEARBPZSA-N 1 0 387.318 1.625 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2Br)CC[C@H]1[NH3+] ZINC000573206668 651471474 /nfs/dbraw/zinc/47/14/74/651471474.db2.gz IVQPBTYNKOVZTE-TVQRCGJNSA-N 1 0 388.693 1.914 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(F)F ZINC000573488060 651480848 /nfs/dbraw/zinc/48/08/48/651480848.db2.gz MWKABXJOESWQTP-KGLIPLIRSA-N 1 0 375.441 1.329 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000573488719 651480874 /nfs/dbraw/zinc/48/08/74/651480874.db2.gz BZHIXWWJESVPSY-RNCFNFMXSA-N 1 0 388.693 1.833 20 0 GDADRO C[C@@H]([NH2+]CCc1cncn1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000573516552 651482201 /nfs/dbraw/zinc/48/22/01/651482201.db2.gz JRKWHXCZCLKGSE-SNVBAGLBSA-N 1 0 387.303 1.723 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCc3ccc(Br)s3)CCN2C1=O ZINC000573578982 651484734 /nfs/dbraw/zinc/48/47/34/651484734.db2.gz KKDJNSUZBSFYTP-KOLCDFICSA-N 1 0 387.303 1.007 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000573602762 651486008 /nfs/dbraw/zinc/48/60/08/651486008.db2.gz VBFKYPGRJOYEAL-AWEZNQCLSA-N 1 0 376.682 1.968 20 0 GDADRO Cc1cc(Br)cn2c(CN3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cnc12 ZINC000573816563 651496764 /nfs/dbraw/zinc/49/67/64/651496764.db2.gz HCEOVWQXNXJFFR-OCCSQVGLSA-N 1 0 378.274 1.149 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000573855121 651499996 /nfs/dbraw/zinc/49/99/96/651499996.db2.gz WJAMYONBMOXJQC-JTQLQIEISA-N 1 0 393.702 1.947 20 0 GDADRO O=C(CCn1cc(Br)ccc1=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000573953350 651504417 /nfs/dbraw/zinc/50/44/17/651504417.db2.gz YJZJNWMEXRXKQR-UKRRQHHQSA-N 1 0 382.302 1.992 20 0 GDADRO Cc1sc2nc(C)nc(SCC(=O)NC[C@@H]3C[NH2+]CCN3C)c2c1C ZINC000574032135 651510329 /nfs/dbraw/zinc/51/03/29/651510329.db2.gz FVYWWDUDWPKBKL-ZDUSSCGKSA-N 1 0 379.555 1.728 20 0 GDADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000574059221 651513372 /nfs/dbraw/zinc/51/33/72/651513372.db2.gz GYGGTWRHIABJRP-DOTOQJQBSA-N 1 0 389.539 1.552 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000574328247 651532895 /nfs/dbraw/zinc/53/28/95/651532895.db2.gz SRWALCJNZHLUPI-GFCCVEGCSA-N 1 0 394.324 1.776 20 0 GDADRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000574631186 651553964 /nfs/dbraw/zinc/55/39/64/651553964.db2.gz DANPENVVNQCBFQ-OAHLLOKOSA-N 1 0 384.885 1.778 20 0 GDADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000574747440 651565073 /nfs/dbraw/zinc/56/50/73/651565073.db2.gz NUWPZMDBWZDEMP-GFCCVEGCSA-N 1 0 380.286 1.796 20 0 GDADRO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000574762022 651566902 /nfs/dbraw/zinc/56/69/02/651566902.db2.gz FXCBRJXHTNJYBZ-CABCVRRESA-N 1 0 393.285 1.362 20 0 GDADRO O=C(CC[C@H]1CC[NH2+]C1)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000574809177 651570395 /nfs/dbraw/zinc/57/03/95/651570395.db2.gz PYMIRQGSDXDSSL-NSHDSACASA-N 1 0 377.869 1.263 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000575058755 651580208 /nfs/dbraw/zinc/58/02/08/651580208.db2.gz SVQZZEZSHJYXJK-HIFRSBDPSA-N 1 0 387.527 1.015 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000575126251 651584078 /nfs/dbraw/zinc/58/40/78/651584078.db2.gz WAWATFSLHYHKBI-WDEREUQCSA-N 1 0 392.319 1.360 20 0 GDADRO CCOC[C@H](O)C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000575379063 651594455 /nfs/dbraw/zinc/59/44/55/651594455.db2.gz TWKFYEKEZMHVDO-GFCCVEGCSA-N 1 0 378.210 1.217 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000575407589 651595328 /nfs/dbraw/zinc/59/53/28/651595328.db2.gz SWJWZLDQAUEYNP-ZFWWWQNUSA-N 1 0 387.933 1.950 20 0 GDADRO COc1ccc(Cl)cc1N1C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)CC1=O ZINC000575802692 651604532 /nfs/dbraw/zinc/60/45/32/651604532.db2.gz SHMNYXZTHGUERY-ONGXEEELSA-N 1 0 375.803 1.800 20 0 GDADRO CC(C)(C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1cccc(Br)c1 ZINC000576004479 651617577 /nfs/dbraw/zinc/61/75/77/651617577.db2.gz YTLCVBZEJVKIAM-KBPBESRZSA-N 1 0 380.286 1.497 20 0 GDADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000576200597 651643445 /nfs/dbraw/zinc/64/34/45/651643445.db2.gz SOJMLSAUPSWXLV-NSHDSACASA-N 1 0 381.951 1.867 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000576399804 651660279 /nfs/dbraw/zinc/66/02/79/651660279.db2.gz QMZMDUDPOLEBFB-UHFFFAOYSA-N 1 0 376.682 1.835 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000576533515 651669478 /nfs/dbraw/zinc/66/94/78/651669478.db2.gz NHGGXRSVADYNPF-UHFFFAOYSA-N 1 0 375.263 1.774 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000576570059 651671815 /nfs/dbraw/zinc/67/18/15/651671815.db2.gz UOXZMRHTUHPENJ-QWHCGFSZSA-N 1 0 395.301 1.344 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000576569333 651671953 /nfs/dbraw/zinc/67/19/53/651671953.db2.gz OUAFGYVIFUUFCO-UONOGXRCSA-N 1 0 397.317 1.642 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000576584403 651673230 /nfs/dbraw/zinc/67/32/30/651673230.db2.gz FPVPCEHPFNIVPJ-OAHLLOKOSA-N 1 0 392.308 1.484 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000576636447 651678308 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CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC000577372431 651726766 /nfs/dbraw/zinc/72/67/66/651726766.db2.gz BFTUMYYCPLHUCV-AWEZNQCLSA-N 1 0 391.559 1.369 20 0 GDADRO O=C(NCCNC(=O)c1cccc(Br)c1)NCC1CC[NH2+]CC1 ZINC000577604410 651741339 /nfs/dbraw/zinc/74/13/39/651741339.db2.gz AUEDZHKLXMQEMR-UHFFFAOYSA-N 1 0 383.290 1.478 20 0 GDADRO O=C(CNC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000577726496 651747467 /nfs/dbraw/zinc/74/74/67/651747467.db2.gz KLZJXXIGRWHBFK-OAHLLOKOSA-N 1 0 382.917 1.571 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000577730027 651747911 /nfs/dbraw/zinc/74/79/11/651747911.db2.gz HJZOVYASFJSFAW-LBPRGKRZSA-N 1 0 375.288 1.563 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC2(C)CCC2)c(C)c[nH+]1 ZINC000578027288 651767326 /nfs/dbraw/zinc/76/73/26/651767326.db2.gz VUAONIFXBIVOIS-UHFFFAOYSA-N 1 0 375.516 1.114 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CCN2C1=O ZINC000578084262 651772663 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GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCCc1cccc(Br)c1 ZINC000631919374 653270778 /nfs/dbraw/zinc/27/07/78/653270778.db2.gz TWTKKDWUAVLEOI-UHFFFAOYSA-N 1 0 390.347 1.900 20 0 GDADRO CCOc1ccc(Cl)cc1CCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631928877 653273305 /nfs/dbraw/zinc/27/33/05/653273305.db2.gz PVIXBWRLYDVHAP-UHFFFAOYSA-N 1 0 375.922 1.799 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000631929917 653273662 /nfs/dbraw/zinc/27/36/62/653273662.db2.gz QTEAIHKGFRCCJR-RKDXNWHRSA-N 1 0 388.291 1.171 20 0 GDADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1c(C)nn2cc(Br)cnc12 ZINC000631933898 653273886 /nfs/dbraw/zinc/27/38/86/653273886.db2.gz LTJYMLGEXGLWJX-MRVPVSSYSA-N 1 0 376.280 1.077 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000631932455 653273916 /nfs/dbraw/zinc/27/39/16/653273916.db2.gz VCTLGYHCBMDFES-SCZZXKLOSA-N 1 0 388.291 1.158 20 0 GDADRO O=S(=O)(c1csnc1-c1ccccc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000631937423 653275150 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20 0 GDADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000638596399 653541329 /nfs/dbraw/zinc/54/13/29/653541329.db2.gz OUAPIIIYBSPTRO-JJRVBVJISA-N 1 0 396.285 1.438 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCNC(=O)c2ccccc2Cl)CC1 ZINC000638595643 653541364 /nfs/dbraw/zinc/54/13/64/653541364.db2.gz UBKDYQYLWIDIFZ-UHFFFAOYSA-N 1 0 387.933 1.910 20 0 GDADRO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596575 653541536 /nfs/dbraw/zinc/54/15/36/653541536.db2.gz QSWWMRRLFVVNBI-TZMCWYRMSA-N 1 0 398.326 1.766 20 0 GDADRO [NH3+]CCCOCCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000638656877 653542246 /nfs/dbraw/zinc/54/22/46/653542246.db2.gz GFDDUGWXTXQBTA-LBPRGKRZSA-N 1 0 384.274 1.284 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)s1 ZINC000638738440 653542688 /nfs/dbraw/zinc/54/26/88/653542688.db2.gz KTMFILKQHLNBBW-UHFFFAOYSA-N 1 0 381.401 1.978 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000638799920 653543982 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Cc1csc(CC2(O)CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)n1 ZINC000639810188 653554119 /nfs/dbraw/zinc/55/41/19/653554119.db2.gz TVCMNPVNPYCPHC-HNNXBMFYSA-N 1 0 387.571 1.493 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1Br ZINC000640168841 653556412 /nfs/dbraw/zinc/55/64/12/653556412.db2.gz GPCUUVATYXWNNH-UHFFFAOYSA-N 1 0 386.294 1.820 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cscc1Br ZINC000640189182 653557137 /nfs/dbraw/zinc/55/71/37/653557137.db2.gz OKJHSGNVUCURHC-UHFFFAOYSA-N 1 0 377.308 1.994 20 0 GDADRO Brc1ccc2nc(Cn3cc(CN4CC[NH2+]CC4)nn3)cn2c1 ZINC000640958973 653561330 /nfs/dbraw/zinc/56/13/30/653561330.db2.gz SNAQMPQIBOPPJQ-UHFFFAOYSA-N 1 0 376.262 1.142 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cnn2cc(Br)cnc12)[NH+]1CCCC1 ZINC000641276424 653563561 /nfs/dbraw/zinc/56/35/61/653563561.db2.gz GAQVQVXOQUCCLY-SNVBAGLBSA-N 1 0 388.291 1.254 20 0 GDADRO CN1CC[NH+](CC2(C)CCN(S(=O)(=O)C[C@@]3(C)CC3(F)F)CC2)CC1 ZINC000641422460 653567187 /nfs/dbraw/zinc/56/71/87/653567187.db2.gz 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O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642640527 653578924 /nfs/dbraw/zinc/57/89/24/653578924.db2.gz UIHBAYOIEBJUHZ-AWEZNQCLSA-N 1 0 388.295 1.885 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2cc(Br)ccc2C)CC[C@H]1[NH3+] ZINC000642640866 653579016 /nfs/dbraw/zinc/57/90/16/653579016.db2.gz FVQMXRRNNGMLTB-IUODEOHRSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)Oc1ccccc1Br ZINC000642777880 653579201 /nfs/dbraw/zinc/57/92/01/653579201.db2.gz VVOFZOXRYALHCN-LLVKDONJSA-N 1 0 384.274 1.201 20 0 GDADRO C[N@H+](CCCNC(=O)NCCS(=O)(=O)NC(C)(C)C)C1CCCCC1 ZINC000642887753 653579577 /nfs/dbraw/zinc/57/95/77/653579577.db2.gz XGMTZCPQVNOWBP-UHFFFAOYSA-N 1 0 376.567 1.658 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000642903102 653579590 /nfs/dbraw/zinc/57/95/90/653579590.db2.gz BNKGRTHVTXGPCB-OAHLLOKOSA-N 1 0 380.286 1.592 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000642904052 653579722 /nfs/dbraw/zinc/57/97/22/653579722.db2.gz 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C[C@H](OC[C@H](O)C[NH2+]CC(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000644557323 653599279 /nfs/dbraw/zinc/59/92/79/653599279.db2.gz IBBBZGQZMFFUDM-SWLSCSKDSA-N 1 0 378.922 1.696 20 0 GDADRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)NS(C)(=O)=O ZINC000644557418 653599304 /nfs/dbraw/zinc/59/93/04/653599304.db2.gz WPVPBLSCPMRENW-LLVKDONJSA-N 1 0 384.420 1.363 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CN(C)CCO1 ZINC000644603041 653599513 /nfs/dbraw/zinc/59/95/13/653599513.db2.gz ZBMHYFAQDNUCKS-WFASDCNBSA-N 1 0 391.331 1.532 20 0 GDADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000644616463 653599627 /nfs/dbraw/zinc/59/96/27/653599627.db2.gz HWMKZWWXGUADGT-WFASDCNBSA-N 1 0 377.268 1.712 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCOC1 ZINC000644622615 653599684 /nfs/dbraw/zinc/59/96/84/653599684.db2.gz OIPQCZOCMZKXGP-HIFRSBDPSA-N 1 0 378.238 1.723 20 0 GDADRO O=C1CCC[C@@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)N1 ZINC000644635320 653599776 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GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c(Br)c1 ZINC000645619661 653604857 /nfs/dbraw/zinc/60/48/57/653604857.db2.gz CYEKWBCTGYBLMF-IINYFYTJSA-N 1 0 382.258 1.559 20 0 GDADRO COc1ncc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000645681707 653605732 /nfs/dbraw/zinc/60/57/32/653605732.db2.gz SWNUAPBYOGTMFX-LBPRGKRZSA-N 1 0 377.894 1.523 20 0 GDADRO Cc1cc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(Cl)cc1F ZINC000645835338 653607306 /nfs/dbraw/zinc/60/73/06/653607306.db2.gz OAHOFXDDQVQBND-LLVKDONJSA-N 1 0 377.869 1.528 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000645835394 653607310 /nfs/dbraw/zinc/60/73/10/653607310.db2.gz PWZPYAHYJROFNR-SECBINFHSA-N 1 0 398.287 1.873 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000645847839 653607472 /nfs/dbraw/zinc/60/74/72/653607472.db2.gz KRXWFGAZDLNXEL-SWLSCSKDSA-N 1 0 380.286 1.732 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cnccc1C(F)(F)F)CCO2 ZINC000645856802 653607581 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379.408 1.832 20 0 GDADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000646480710 653610339 /nfs/dbraw/zinc/61/03/39/653610339.db2.gz ZRRCGEVFCXRVIO-ABAIWWIYSA-N 1 0 393.285 1.710 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1ccsc1 ZINC000646669452 653612249 /nfs/dbraw/zinc/61/22/49/653612249.db2.gz PNHCBIGTSZBOTI-DZGCQCFKSA-N 1 0 388.559 1.163 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)C1 ZINC000646672835 653612260 /nfs/dbraw/zinc/61/22/60/653612260.db2.gz UFYUOIUWVKAUGW-NSHDSACASA-N 1 0 389.315 1.985 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CCO1 ZINC000646847874 653614927 /nfs/dbraw/zinc/61/49/27/653614927.db2.gz GSGDYXPQALSJTI-GLQYFDAESA-N 1 0 396.285 1.377 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)CCO1 ZINC000646861444 653615245 /nfs/dbraw/zinc/61/52/45/653615245.db2.gz AXADTXBXHVTWDJ-BFVZDQMLSA-N 1 0 375.238 1.930 20 0 GDADRO C[C@H]([NH3+])CNC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 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O=C([C@@H]1CC12CC[NH2+]CC2)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000648163251 653640061 /nfs/dbraw/zinc/64/00/61/653640061.db2.gz MJXVRLXHOPEYSZ-LSDHHAIUSA-N 1 0 392.297 1.838 20 0 GDADRO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)c2cccs2)CC1 ZINC000648220170 653641437 /nfs/dbraw/zinc/64/14/37/653641437.db2.gz LHANAOJJJYWFNV-ZBFHGGJFSA-N 1 0 385.555 1.671 20 0 GDADRO COc1c(Br)ccc(F)c1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000648783180 653655350 /nfs/dbraw/zinc/65/53/50/653655350.db2.gz SWQPKXZKCACZFN-LLVKDONJSA-N 1 0 388.281 1.963 20 0 GDADRO C[C@@H](CC(=O)NCCN1CCC([NH+](C)C)CC1)n1cc(Br)cn1 ZINC000648810142 653656879 /nfs/dbraw/zinc/65/68/79/653656879.db2.gz SQNDUEGOGKPMJT-ZDUSSCGKSA-N 1 0 386.338 1.739 20 0 GDADRO C[C@@H](CC(=O)N1CCC([N@H+](C)CCCO)CC1)n1cc(Br)cn1 ZINC000648841743 653657486 /nfs/dbraw/zinc/65/74/86/653657486.db2.gz KIMWXTDOINYEJM-ZDUSSCGKSA-N 1 0 387.322 1.902 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000649070329 653663227 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CC[C@@H](CNS(C)(=O)=O)NC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000651130674 653812003 /nfs/dbraw/zinc/81/20/03/653812003.db2.gz YOWODSOGAMJHIR-HNNXBMFYSA-N 1 0 376.567 1.658 20 0 GDADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)C(C)(C)C ZINC000651562022 653831320 /nfs/dbraw/zinc/83/13/20/653831320.db2.gz AROOAECYVGCRKB-INIZCTEOSA-N 1 0 388.555 1.760 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(COC)CCC2)[C@H](C)C1 ZINC000651562676 653831445 /nfs/dbraw/zinc/83/14/45/653831445.db2.gz UCMBUHPOZPTJGO-IAGOWNOFSA-N 1 0 376.563 1.860 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000651611070 653839006 /nfs/dbraw/zinc/83/90/06/653839006.db2.gz HBTVLUUFAYXROH-BYCMXARLSA-N 1 0 389.880 1.280 20 0 GDADRO CC(C)(CNS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)C[NH+]1CCCC1 ZINC000651669735 653843629 /nfs/dbraw/zinc/84/36/29/653843629.db2.gz GQZGEPNSVZGYEV-UHFFFAOYSA-N 1 0 386.539 1.515 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)s1 ZINC000651769435 653854757 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CCO[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@H]1C[NH3+] ZINC000652728168 653897658 /nfs/dbraw/zinc/89/76/58/653897658.db2.gz WMPYKLFPUCAPBN-IUODEOHRSA-N 1 0 388.295 1.774 20 0 GDADRO O=C(NCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)c1ccc(Br)cc1 ZINC000653075262 653905318 /nfs/dbraw/zinc/90/53/18/653905318.db2.gz LHSGBIYJZDNLAZ-HUUCEWRRSA-N 1 0 380.286 1.826 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653090058 653906245 /nfs/dbraw/zinc/90/62/45/653906245.db2.gz CZQBSOJMNQKKJD-LBPRGKRZSA-N 1 0 385.452 1.191 20 0 GDADRO O=C([C@H]1CCC[NH2+]CC1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000653154545 653907232 /nfs/dbraw/zinc/90/72/32/653907232.db2.gz VEAAGWFPQNPRTO-DZGCQCFKSA-N 1 0 380.286 1.838 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000653168933 653907567 /nfs/dbraw/zinc/90/75/67/653907567.db2.gz UQNCUDASHTZBTQ-OAHLLOKOSA-N 1 0 399.333 1.181 20 0 GDADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C2 ZINC000653197574 653907920 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1.916 20 0 GDADRO [NH3+]C[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C(F)(F)F ZINC000655510362 653972973 /nfs/dbraw/zinc/97/29/73/653972973.db2.gz WFHRZQUXULASJE-MNOVXSKESA-N 1 0 394.191 1.808 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)C2)s1 ZINC000655510357 653973003 /nfs/dbraw/zinc/97/30/03/653973003.db2.gz WBWVLKVBKCLBPC-GHMZBOCLSA-N 1 0 399.460 1.463 20 0 GDADRO [NH3+]C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C(F)(F)F ZINC000655510658 653973020 /nfs/dbraw/zinc/97/30/20/653973020.db2.gz QXHLSGOOHGEYME-JTQLQIEISA-N 1 0 396.163 1.180 20 0 GDADRO C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000655912382 653993436 /nfs/dbraw/zinc/99/34/36/653993436.db2.gz UTLJMJYKJNNDHS-BXKDBHETSA-N 1 0 382.408 1.187 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1)C(F)(F)F ZINC000655925784 653994311 /nfs/dbraw/zinc/99/43/11/653994311.db2.gz AZKDZEKASNYARU-DTWKUNHWSA-N 1 0 378.317 1.366 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F 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383.436 1.589 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000657091270 654108211 /nfs/dbraw/zinc/10/82/11/654108211.db2.gz LJYOBTHCDJSPEY-UHFFFAOYSA-N 1 0 392.363 1.919 20 0 GDADRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc(Cl)c1OCC(N)=O ZINC000657635235 654151543 /nfs/dbraw/zinc/15/15/43/654151543.db2.gz NNGBSHVLORUHAL-ZYHUDNBSSA-N 1 0 390.889 1.268 20 0 GDADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000657983500 654175267 /nfs/dbraw/zinc/17/52/67/654175267.db2.gz VHBQSAXVBZSMNB-ZDUSSCGKSA-N 1 0 385.917 1.963 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)CCO1 ZINC000658373522 654186283 /nfs/dbraw/zinc/18/62/83/654186283.db2.gz XWYJZBNCWJKPOS-NOZJJQNGSA-N 1 0 381.267 1.466 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2C1 ZINC000658375836 654186702 /nfs/dbraw/zinc/18/67/02/654186702.db2.gz NOHQDSWQLOHHFL-CFVMTHIKSA-N 1 0 383.539 1.401 20 0 GDADRO O=C(Nc1ccc(Br)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658806388 654206455 /nfs/dbraw/zinc/20/64/55/654206455.db2.gz FHYOHJJLWZFPAO-OAHLLOKOSA-N 1 0 396.285 1.757 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000659113419 654215719 /nfs/dbraw/zinc/21/57/19/654215719.db2.gz FJKQHLNFSMZLGG-ZETCQYMHSA-N 1 0 393.079 1.874 20 0 GDADRO COCC1(CNC(=O)c2cc(Br)cc3c2OCCO3)CC[NH2+]CC1 ZINC000659309806 654221295 /nfs/dbraw/zinc/22/12/95/654221295.db2.gz OKNDCXLCWSBKCY-UHFFFAOYSA-N 1 0 399.285 1.966 20 0 GDADRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659337014 654223544 /nfs/dbraw/zinc/22/35/44/654223544.db2.gz UOSZUZIQPRFCGE-KBPBESRZSA-N 1 0 397.317 1.988 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC000659337806 654223672 /nfs/dbraw/zinc/22/36/72/654223672.db2.gz MQZUEOCQWWYXLU-JHJVBQTASA-N 1 0 382.379 1.302 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659426783 654226455 /nfs/dbraw/zinc/22/64/55/654226455.db2.gz CYPDVZOKQKPBPA-UHFFFAOYSA-N 1 0 381.274 1.747 20 0 GDADRO COCC1(CNC(=O)NCC2(S(C)(=O)=O)CCCCC2)CC[NH2+]CC1 ZINC000659538819 654228870 /nfs/dbraw/zinc/22/88/70/654228870.db2.gz GMPGWFJSPSPVPG-UHFFFAOYSA-N 1 0 375.535 1.049 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cccnc2C(F)(F)F)CCO1 ZINC000660154704 654241930 /nfs/dbraw/zinc/24/19/30/654241930.db2.gz DANJAOQMWKMFKD-GFCCVEGCSA-N 1 0 381.420 1.832 20 0 GDADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000660408631 654249237 /nfs/dbraw/zinc/24/92/37/654249237.db2.gz PHNIWVLCDMNAML-ROUUACIJSA-N 1 0 376.563 1.954 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000660486380 654251816 /nfs/dbraw/zinc/25/18/16/654251816.db2.gz PUGHMLFCKDTMRE-UHFFFAOYSA-N 1 0 384.274 1.923 20 0 GDADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000660555982 654254335 /nfs/dbraw/zinc/25/43/35/654254335.db2.gz CTZCYKLIWPLOFS-ZACQAIPSSA-N 1 0 375.579 1.478 20 0 GDADRO O=C(C[NH2+][C@@H](CO)C1CCC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000661152856 654264834 /nfs/dbraw/zinc/26/48/34/654264834.db2.gz CIYOEJLXSMCMNX-HNNXBMFYSA-N 1 0 387.311 1.788 20 0 GDADRO C[C@]12COC[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C2 ZINC000661702999 654282079 /nfs/dbraw/zinc/28/20/79/654282079.db2.gz BGARBAKSJHOCIA-SJCJKPOMSA-N 1 0 396.285 1.472 20 0 GDADRO O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662249559 654290546 /nfs/dbraw/zinc/29/05/46/654290546.db2.gz XAWNFWXBSCWWIF-LBPRGKRZSA-N 1 0 394.324 1.288 20 0 GDADRO O=C(COc1ccc(Cl)cc1Cl)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662279534 654292045 /nfs/dbraw/zinc/29/20/45/654292045.db2.gz ACWQOHNMBZOMDO-AWEZNQCLSA-N 1 0 388.295 1.505 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CCO1 ZINC000662324884 654293123 /nfs/dbraw/zinc/29/31/23/654293123.db2.gz ZZEGNZZJHZEIMR-HNNXBMFYSA-N 1 0 375.922 1.530 20 0 GDADRO O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662459648 654294231 /nfs/dbraw/zinc/29/42/31/654294231.db2.gz LHADPFHSUQXOME-AWEZNQCLSA-N 1 0 377.388 1.707 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596338 654297597 /nfs/dbraw/zinc/29/75/97/654297597.db2.gz RTXZUKFNXSCABL-HIFRSBDPSA-N 1 0 385.555 1.653 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000662630057 654299041 /nfs/dbraw/zinc/29/90/41/654299041.db2.gz HVQLOBOOMTXQEM-AWEZNQCLSA-N 1 0 394.324 1.404 20 0 GDADRO Cc1c(C(=O)N2CC3CC2(C[NH3+])C3)nnn1-c1cccc(Br)c1 ZINC000662677639 654299560 /nfs/dbraw/zinc/29/95/60/654299560.db2.gz OMLSJJMFHGYPPK-UHFFFAOYSA-N 1 0 376.258 1.902 20 0 GDADRO CCc1nsc(N2CCCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CC2)n1 ZINC000662752098 654301584 /nfs/dbraw/zinc/30/15/84/654301584.db2.gz HASNAGJSPAZIDA-CQSZACIVSA-N 1 0 377.436 1.681 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)c3nn(C(C)(C)C)cc3Br)C[C@H]2[NH3+])cn1 ZINC000662818561 654303630 /nfs/dbraw/zinc/30/36/30/654303630.db2.gz AJFDHRUIFMCCNJ-WCQYABFASA-N 1 0 395.305 1.701 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)c2cc(Br)cc3c2OCCO3)nn1C ZINC000662835515 654304241 /nfs/dbraw/zinc/30/42/41/654304241.db2.gz LABOKNNTUUFCDK-UHFFFAOYSA-N 1 0 381.230 1.973 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000662883497 654316769 /nfs/dbraw/zinc/31/67/69/654316769.db2.gz QINNLMBPELPKGZ-HOCLYGCPSA-N 1 0 398.301 1.449 20 0 GDADRO C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H]1CCC[NH3+] ZINC000662892753 654317237 /nfs/dbraw/zinc/31/72/37/654317237.db2.gz MFKUZZHRBWCIJX-CZUORRHYSA-N 1 0 387.933 1.984 20 0 GDADRO C[C@@]1(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC[NH2+]C1 ZINC000663004837 654318034 /nfs/dbraw/zinc/31/80/34/654318034.db2.gz GSTRMQKGGFZBJG-MRXNPFEDSA-N 1 0 380.242 1.303 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663010227 654318061 /nfs/dbraw/zinc/31/80/61/654318061.db2.gz NSPPRHYTZASDOM-NHYWBVRUSA-N 1 0 389.315 1.727 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1Br ZINC000663313263 654333416 /nfs/dbraw/zinc/33/34/16/654333416.db2.gz VUOJRMJEFANYMK-CYBMUJFWSA-N 1 0 379.276 1.497 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]CCC(=O)N(C)c2ccccc2)s1 ZINC000663359365 654335174 /nfs/dbraw/zinc/33/51/74/654335174.db2.gz FLIBUOHXGIUBNZ-UHFFFAOYSA-N 1 0 381.523 1.978 20 0 GDADRO CCN(C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000663566359 654343425 /nfs/dbraw/zinc/34/34/25/654343425.db2.gz GZBQSBUBCCUWDU-AWEZNQCLSA-N 1 0 388.921 1.354 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2nnc3ccc(Br)cn32)CC1 ZINC000663738520 654351411 /nfs/dbraw/zinc/35/14/11/654351411.db2.gz BRVALSFESSZVLB-CYBMUJFWSA-N 1 0 393.289 1.410 20 0 GDADRO CCN(C(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000663770997 654353222 /nfs/dbraw/zinc/35/32/22/654353222.db2.gz WERPIDUNEKYTSE-HNNXBMFYSA-N 1 0 397.317 1.915 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000663798838 654354281 /nfs/dbraw/zinc/35/42/81/654354281.db2.gz OVWPVEPTZPAFHM-UHFFFAOYSA-N 1 0 379.869 1.692 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CCO1 ZINC000664729848 654389968 /nfs/dbraw/zinc/38/99/68/654389968.db2.gz ISUPZHNXFBYPQL-ZDUSSCGKSA-N 1 0 389.543 1.404 20 0 GDADRO C[NH+](C)C1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC000665430728 654407391 /nfs/dbraw/zinc/40/73/91/654407391.db2.gz SOLRGLWGIDMDEL-UHFFFAOYSA-N 1 0 389.880 1.406 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)NCCNC(=O)c2ccc(Br)cn2)C1 ZINC000665559044 654409565 /nfs/dbraw/zinc/40/95/65/654409565.db2.gz UNXFNLQTBRWLGF-GFCCVEGCSA-N 1 0 398.305 1.167 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCS1(=O)=O ZINC000666101299 654420209 /nfs/dbraw/zinc/42/02/09/654420209.db2.gz YCQIRWSNJSANKU-GFCCVEGCSA-N 1 0 392.319 1.015 20 0 GDADRO CCNS(=O)(=O)CCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000731568841 654437142 /nfs/dbraw/zinc/43/71/42/654437142.db2.gz UWBMXPOMSFBTCR-UHFFFAOYSA-N 1 0 384.571 1.054 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000768909874 654441408 /nfs/dbraw/zinc/44/14/08/654441408.db2.gz OPRFIKIDPXVMQB-UHFFFAOYSA-N 1 0 399.282 1.189 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000667404491 654449376 /nfs/dbraw/zinc/44/93/76/654449376.db2.gz PBXBHENKCYFVMV-ZANVPECISA-N 1 0 388.237 1.410 20 0 GDADRO C[C@H](CC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C)NS(=O)(=O)c1cccnc1Cl ZINC000769144407 654450474 /nfs/dbraw/zinc/45/04/74/654450474.db2.gz JMTBYGMEQCDALB-AGIUHOORSA-N 1 0 388.921 1.343 20 0 GDADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667507127 654453245 /nfs/dbraw/zinc/45/32/45/654453245.db2.gz AMZISKMMDLVVKP-QMMMGPOBSA-N 1 0 376.201 1.924 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1c(Br)cc(F)cc1Br ZINC000667560507 654456074 /nfs/dbraw/zinc/45/60/74/654456074.db2.gz CLWURWFWQACNNT-YFKPBYRVSA-N 1 0 397.042 1.753 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000667580503 654456993 /nfs/dbraw/zinc/45/69/93/654456993.db2.gz KKAOKQWFDLCMPQ-INIZCTEOSA-N 1 0 381.274 1.693 20 0 GDADRO CCC[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C)S(N)(=O)=O ZINC000667599845 654458245 /nfs/dbraw/zinc/45/82/45/654458245.db2.gz BTTRDMYQBZUZCA-INIZCTEOSA-N 1 0 385.555 1.940 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000732253050 654466705 /nfs/dbraw/zinc/46/67/05/654466705.db2.gz CSMVSZAZAWLCNV-SWLSCSKDSA-N 1 0 375.300 1.572 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000668437067 654482362 /nfs/dbraw/zinc/48/23/62/654482362.db2.gz WTVCLCFWLPBIOC-SNVBAGLBSA-N 1 0 383.246 1.482 20 0 GDADRO CN(CCCC[NH+](C)C)C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000668949512 654495627 /nfs/dbraw/zinc/49/56/27/654495627.db2.gz QPGAKLJCKOPUOQ-UHFFFAOYSA-N 1 0 381.278 1.839 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000733039421 654497400 /nfs/dbraw/zinc/49/74/00/654497400.db2.gz SWNOGAGLJYWLNC-GFCCVEGCSA-N 1 0 384.493 1.280 20 0 GDADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000733165698 654501330 /nfs/dbraw/zinc/50/13/30/654501330.db2.gz DKSZTZGFECHJHF-CYBMUJFWSA-N 1 0 398.301 1.877 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671108074 654531740 /nfs/dbraw/zinc/53/17/40/654531740.db2.gz MQAMGYQZZRWRPV-RYUDHWBXSA-N 1 0 386.315 1.870 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)cn1 ZINC000671262547 654533283 /nfs/dbraw/zinc/53/32/83/654533283.db2.gz UBKILPDRLCZMSD-UHFFFAOYSA-N 1 0 376.364 1.497 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCOC[C@H]1CCCO1 ZINC000734510786 654536326 /nfs/dbraw/zinc/53/63/26/654536326.db2.gz ZXSZHOYDPBHBPE-UONOGXRCSA-N 1 0 391.921 1.490 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000672005468 654547949 /nfs/dbraw/zinc/54/79/49/654547949.db2.gz ALVYWTHHLYBUNR-UHFFFAOYSA-N 1 0 398.301 1.628 20 0 GDADRO CC[NH+](CC)CCOC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1 ZINC000772042101 654554390 /nfs/dbraw/zinc/55/43/90/654554390.db2.gz DKXAAJSHJSJRRZ-AWEZNQCLSA-N 1 0 387.274 1.425 20 0 GDADRO CC1(C)CN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC[N@@H+]1CCO ZINC000672909318 654568452 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GDADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000772959714 654576944 /nfs/dbraw/zinc/57/69/44/654576944.db2.gz CSWLQECCFXHSMG-GFCCVEGCSA-N 1 0 396.481 1.759 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000736072285 654581614 /nfs/dbraw/zinc/58/16/14/654581614.db2.gz HIXSPGJNUDUERC-GFCCVEGCSA-N 1 0 383.901 1.846 20 0 GDADRO C[C@@H](CNS(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000773345484 654590467 /nfs/dbraw/zinc/59/04/67/654590467.db2.gz IEIAGLLPSXLGOB-KGLIPLIRSA-N 1 0 375.535 1.646 20 0 GDADRO CN1CCN([C@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)c2cccs2)CC1 ZINC000675724678 654623589 /nfs/dbraw/zinc/62/35/89/654623589.db2.gz YKIYUICKKLBEGE-MRXNPFEDSA-N 1 0 386.587 1.050 20 0 GDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cnc(Br)cc2C)CC1 ZINC000774307956 654624637 /nfs/dbraw/zinc/62/46/37/654624637.db2.gz KYQCOKBIAJVIPG-UHFFFAOYSA-N 1 0 399.289 1.318 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCN(C)S(=O)(=O)c2cccs2)C1 ZINC000676472663 654643744 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CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCn2c(Br)cnc2C1 ZINC000832078573 655009822 /nfs/dbraw/zinc/00/98/22/655009822.db2.gz WLSLLURLRMLVCO-WNMQOVRZSA-N 1 0 383.290 1.520 20 0 GDADRO Cc1nc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(Br)n1C ZINC000805006046 655010275 /nfs/dbraw/zinc/01/02/75/655010275.db2.gz WVGUIASUGNTFMQ-NSHDSACASA-N 1 0 379.324 1.453 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1 ZINC000756183305 655014073 /nfs/dbraw/zinc/01/40/73/655014073.db2.gz UJOFMSAYQJCQFN-NSHDSACASA-N 1 0 376.425 1.904 20 0 GDADRO O=C(N1CCN(Cc2cc(Br)ccc2F)CC1)[C@]1(F)CC[NH2+]C1 ZINC000832182622 655016301 /nfs/dbraw/zinc/01/63/01/655016301.db2.gz MJSJAXCAIWISFL-INIZCTEOSA-N 1 0 388.256 1.934 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)c1cn(-c2ccccc2Br)nn1 ZINC000832217362 655020202 /nfs/dbraw/zinc/02/02/02/655020202.db2.gz BHKKEFSSDVRAQJ-UHFFFAOYSA-N 1 0 393.289 1.055 20 0 GDADRO CC[NH+]1CCN(CCC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000832241506 655021944 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[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Br)cnc2Cl)C1 ZINC000832526623 655034478 /nfs/dbraw/zinc/03/44/78/655034478.db2.gz VALFOSCCLJPHID-SECBINFHSA-N 1 0 389.681 1.425 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc2nnc(SCC[NH+]3CCCC3)n2c1 ZINC000789907420 655034934 /nfs/dbraw/zinc/03/49/34/655034934.db2.gz ICXMJJSNPALWLU-UHFFFAOYSA-N 1 0 383.543 1.948 20 0 GDADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CCN1CCCS1(=O)=O ZINC000805763047 655045070 /nfs/dbraw/zinc/04/50/70/655045070.db2.gz HFFVEYFKWVCXJO-OAHLLOKOSA-N 1 0 375.535 1.791 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000832693689 655045476 /nfs/dbraw/zinc/04/54/76/655045476.db2.gz WYTKVOZDCWTWPX-VXGBXAGGSA-N 1 0 389.905 1.087 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000832731532 655049714 /nfs/dbraw/zinc/04/97/14/655049714.db2.gz MPHSWEIGGWKLNM-WFASDCNBSA-N 1 0 385.917 1.934 20 0 GDADRO Cc1nc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(Br)n1C ZINC000832764959 655051915 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GDADRO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC000834398349 655065858 /nfs/dbraw/zinc/06/58/58/655065858.db2.gz RMLJEPAVLXFLDJ-DZZUKKPASA-N 1 0 383.539 1.034 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@@H]1CSCCS1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000806474217 655066500 /nfs/dbraw/zinc/06/65/00/655066500.db2.gz XJCUZXWIPYIMTM-SQWLQELKSA-N 1 0 385.599 1.720 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)ccc1Cl ZINC000791248369 655066931 /nfs/dbraw/zinc/06/69/31/655066931.db2.gz KAETXSQTUPXAMG-UHFFFAOYSA-N 1 0 387.889 1.300 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000791423699 655071315 /nfs/dbraw/zinc/07/13/15/655071315.db2.gz ZCRQJKODBUKWTL-ZIAGYGMSSA-N 1 0 375.535 1.646 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000834565217 655073045 /nfs/dbraw/zinc/07/30/45/655073045.db2.gz RTGAVVKCRKYRKC-NVXWUHKLSA-N 1 0 383.286 1.668 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccn3c(I)cnc23)C1 ZINC000834598249 655074057 /nfs/dbraw/zinc/07/40/57/655074057.db2.gz AKZZKGGQJRPRAG-ZJUUUORDSA-N 1 0 384.221 1.939 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC000834686297 655075872 /nfs/dbraw/zinc/07/58/72/655075872.db2.gz FWUXFOMXXWYBAK-SECBINFHSA-N 1 0 392.319 1.603 20 0 GDADRO O=C(Cc1cccs1)Nc1nc(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000834694838 655076091 /nfs/dbraw/zinc/07/60/91/655076091.db2.gz JAVDRRDFTXQPOM-TXEJJXNPSA-N 1 0 376.507 1.606 20 0 GDADRO CC1([NH+]2CCC2)CCC(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000834804328 655079303 /nfs/dbraw/zinc/07/93/03/655079303.db2.gz QBNIQZQJHMHONX-UHFFFAOYSA-N 1 0 399.289 1.235 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC000834845715 655081034 /nfs/dbraw/zinc/08/10/34/655081034.db2.gz FGBSOYPEPQYATR-NSHDSACASA-N 1 0 397.241 1.580 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc3ncc(I)n3c2)C1 ZINC000834860841 655081269 /nfs/dbraw/zinc/08/12/69/655081269.db2.gz DRSDVGLHRIALSV-KOLCDFICSA-N 1 0 384.221 1.796 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cccn3c(I)cnc23)C1 ZINC000834861201 655081498 /nfs/dbraw/zinc/08/14/98/655081498.db2.gz GPCJLHYSUAXJGK-ZJUUUORDSA-N 1 0 384.221 1.796 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1OC ZINC000807394665 655082960 /nfs/dbraw/zinc/08/29/60/655082960.db2.gz WVLJVLFNTPFJMF-NSHDSACASA-N 1 0 399.289 1.782 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000835094935 655085356 /nfs/dbraw/zinc/08/53/56/655085356.db2.gz QJTMVKZLPXYNBL-LBPRGKRZSA-N 1 0 383.290 1.938 20 0 GDADRO Cn1ncc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000807568690 655086261 /nfs/dbraw/zinc/08/62/61/655086261.db2.gz AJRSTIHXPKUQMN-UHFFFAOYSA-N 1 0 395.305 1.851 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000835135419 655087249 /nfs/dbraw/zinc/08/72/49/655087249.db2.gz FYOWYCZFTNCIHL-CHWSQXEVSA-N 1 0 397.273 1.070 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12)C[NH+]1CCCC1 ZINC000807666263 655087916 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ZINC000843074511 655388020 /nfs/dbraw/zinc/38/80/20/655388020.db2.gz FYUKXQWUQFNAPX-KBPBESRZSA-N 1 0 389.290 1.958 20 0 GDADRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000843103587 655388590 /nfs/dbraw/zinc/38/85/90/655388590.db2.gz MPMYPPPRPYVCNC-IINYFYTJSA-N 1 0 382.309 1.945 20 0 GDADRO CCS(=O)(=O)CC[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000843115608 655388815 /nfs/dbraw/zinc/38/88/15/655388815.db2.gz HIGFLDWJWOFWCL-AWEZNQCLSA-N 1 0 378.332 1.933 20 0 GDADRO COC(=O)c1cn(CC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)nn1 ZINC000819297994 655389360 /nfs/dbraw/zinc/38/93/60/655389360.db2.gz ZNZOWUBYNCANOP-CYBMUJFWSA-N 1 0 387.209 1.290 20 0 GDADRO CN(C[C@H](O)C[NH2+]CCn1cc(Br)cn1)C(=O)OC(C)(C)C ZINC000819308041 655389437 /nfs/dbraw/zinc/38/94/37/655389437.db2.gz MNKSVQFEQFRAKU-GFCCVEGCSA-N 1 0 377.283 1.463 20 0 GDADRO [NH3+]CCOCc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000843201477 655389677 /nfs/dbraw/zinc/38/96/77/655389677.db2.gz WSKXGGHYTWVWRA-UHFFFAOYSA-N 1 0 380.202 1.547 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GDADRO O=C(NCCC[NH2+]C1CC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000843512920 655397414 /nfs/dbraw/zinc/39/74/14/655397414.db2.gz PKNGLEQMTMQOFP-UHFFFAOYSA-N 1 0 385.917 1.996 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)NCCC[NH2+]C2CC2)ccc1Br ZINC000843513009 655397461 /nfs/dbraw/zinc/39/74/61/655397461.db2.gz RLGJPJSPKKXVMN-UHFFFAOYSA-N 1 0 375.288 1.725 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)c1ccc(Br)s1 ZINC000844038633 655405763 /nfs/dbraw/zinc/40/57/63/655405763.db2.gz NVMAQQDRBHWMBN-SECBINFHSA-N 1 0 388.287 1.272 20 0 GDADRO Cn1nnc(Br)c1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000844050558 655405999 /nfs/dbraw/zinc/40/59/99/655405999.db2.gz KITBOBWMZMPKDH-OLZOCXBDSA-N 1 0 378.274 1.653 20 0 GDADRO O=C(c1ccc2ncc(I)n2c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000844192811 655408512 /nfs/dbraw/zinc/40/85/12/655408512.db2.gz UDKIJXWFMAAPHZ-LBPRGKRZSA-N 1 0 396.232 1.905 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1Cl ZINC000820504455 655410927 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O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000821414785 655429628 /nfs/dbraw/zinc/42/96/28/655429628.db2.gz AKOGQKPXCSPPRX-UHFFFAOYSA-N 1 0 385.452 1.481 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000821895627 655436797 /nfs/dbraw/zinc/43/67/97/655436797.db2.gz WDCHBLMHSUGMQY-MROQNXINSA-N 1 0 379.448 1.339 20 0 GDADRO CN1C(=O)CS/C1=C/C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000822423570 655444910 /nfs/dbraw/zinc/44/49/10/655444910.db2.gz DYUBFXUSEJBXCZ-QANDDYDISA-N 1 0 377.535 1.767 20 0 GDADRO O=C(c1cc(=O)[nH]cc1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000822580365 655447552 /nfs/dbraw/zinc/44/75/52/655447552.db2.gz JIFNQTXLGMIYGD-UHFFFAOYSA-N 1 0 384.274 1.877 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c(Cl)s1 ZINC000846235079 655450509 /nfs/dbraw/zinc/45/05/09/655450509.db2.gz RDMIAOGIFJWKKA-UHFFFAOYSA-N 1 0 386.948 1.555 20 0 GDADRO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000822773651 655450715 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C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CCCO1 ZINC000846735338 655459906 /nfs/dbraw/zinc/45/99/06/655459906.db2.gz QFYHYGVZDYIKAN-COXVUDFISA-N 1 0 377.888 1.424 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)ccc1Cl ZINC000846743856 655460151 /nfs/dbraw/zinc/46/01/51/655460151.db2.gz TWEVUUJWFYAHFI-PWSUYJOCSA-N 1 0 375.878 1.474 20 0 GDADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000823394957 655462245 /nfs/dbraw/zinc/46/22/45/655462245.db2.gz GZLLVRBOOHKTAT-HNNXBMFYSA-N 1 0 377.551 1.751 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)cnc1C1CC1 ZINC000823562526 655464982 /nfs/dbraw/zinc/46/49/82/655464982.db2.gz UXXDDNUIQNRRJX-NSHDSACASA-N 1 0 395.301 1.914 20 0 GDADRO O=C(NCCC1SCCS1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000823608828 655465694 /nfs/dbraw/zinc/46/56/94/655465694.db2.gz WPTCCPPZOUKYKI-MRXNPFEDSA-N 1 0 381.567 1.901 20 0 GDADRO C[C@H]1CC2(C[N@@H+]1CCNS(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823644574 655466280 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CC[NH+](CC)CCOC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000825255828 655486833 /nfs/dbraw/zinc/48/68/33/655486833.db2.gz RXMNZBATBULGIF-UHFFFAOYSA-N 1 0 393.303 1.612 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCCC[NH+](C)C ZINC000825265024 655486840 /nfs/dbraw/zinc/48/68/40/655486840.db2.gz FSUVCDWCRVFCHC-NSHDSACASA-N 1 0 382.404 1.867 20 0 GDADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848491109 655494264 /nfs/dbraw/zinc/49/42/64/655494264.db2.gz RTYGPSBKRWSJHC-DNWYELSFSA-N 1 0 387.299 1.500 20 0 GDADRO O[C@@H]1C[C@H]2CN(C(=S)NCc3ccc(OC(F)(F)F)cc3)CC[N@@H+]2C1 ZINC000848650518 655498209 /nfs/dbraw/zinc/49/82/09/655498209.db2.gz OYODCHPZPVEEBC-QWHCGFSZSA-N 1 0 375.416 1.711 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2csc(I)n2)C1 ZINC000826667043 655499799 /nfs/dbraw/zinc/49/97/99/655499799.db2.gz KZHXYCDKYGCHQM-VIFPVBQESA-N 1 0 395.266 1.588 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000826985648 655504116 /nfs/dbraw/zinc/50/41/16/655504116.db2.gz JODIEAMARGCWQD-APIJFGDWSA-N 1 0 376.519 1.424 20 0 GDADRO C[C@@H](CC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)n1cc(Br)cn1 ZINC000827430174 655511085 /nfs/dbraw/zinc/51/10/85/655511085.db2.gz MMBIDLDKEMVMNV-AWEZNQCLSA-N 1 0 398.349 1.835 20 0 GDADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000827532891 655512747 /nfs/dbraw/zinc/51/27/47/655512747.db2.gz QSZPDNDPAYGEQU-GFCCVEGCSA-N 1 0 392.319 1.413 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000827700616 655515349 /nfs/dbraw/zinc/51/53/49/655515349.db2.gz VPFMCJPRAVQLRF-SNVBAGLBSA-N 1 0 390.303 1.120 20 0 GDADRO [NH2+]=C(NCCCN1CCOCC1)NC[C@@H](O)c1cccc(Br)c1 ZINC000848992802 655517047 /nfs/dbraw/zinc/51/70/47/655517047.db2.gz VWBPLDIYTCZCPN-OAHLLOKOSA-N 1 0 385.306 1.319 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2nc(Br)c3ccccn32)C1 ZINC000827837205 655517164 /nfs/dbraw/zinc/51/71/64/655517164.db2.gz SHSKZDXHKQNCKQ-NSHDSACASA-N 1 0 381.274 1.672 20 0 GDADRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 ZINC000828014841 655518346 /nfs/dbraw/zinc/51/83/46/655518346.db2.gz XHFKTNLBVWAWGU-UHFFFAOYSA-N 1 0 375.878 1.671 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000828195289 655519878 /nfs/dbraw/zinc/51/98/78/655519878.db2.gz BAIDHHMDGQAGGK-UHFFFAOYSA-N 1 0 383.290 1.645 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2ccccc2[S@](=O)C(F)(F)F)CC1 ZINC000828196508 655519920 /nfs/dbraw/zinc/51/99/20/655519920.db2.gz RNTADEVFKOKGFN-VWLOTQADSA-N 1 0 378.416 1.843 20 0 GDADRO Cc1nccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1Br ZINC000849612705 655542717 /nfs/dbraw/zinc/54/27/17/655542717.db2.gz NSSDKLGGYLTTGY-KBPBESRZSA-N 1 0 392.301 1.982 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1Br ZINC000850370636 655553375 /nfs/dbraw/zinc/55/33/75/655553375.db2.gz STUVNQMZNKIOPG-NSHDSACASA-N 1 0 375.288 1.898 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1cncc(C)n1 ZINC000850390885 655554178 /nfs/dbraw/zinc/55/41/78/655554178.db2.gz WYVLVGDTTAJUKV-CQSZACIVSA-N 1 0 383.905 1.635 20 0 GDADRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000850490666 655556567 /nfs/dbraw/zinc/55/65/67/655556567.db2.gz FFKKRVNRKAACEJ-RULNZOCKSA-N 1 0 386.461 1.899 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cc2C1 ZINC000850588128 655559275 /nfs/dbraw/zinc/55/92/75/655559275.db2.gz UJUAJIBXGSSLJO-QGZVFWFLSA-N 1 0 383.539 1.417 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)c3cccc4scnc43)C2)nn1 ZINC000850589298 655559374 /nfs/dbraw/zinc/55/93/74/655559374.db2.gz RJCUEDBEWCIRRA-LBPRGKRZSA-N 1 0 378.483 1.372 20 0 GDADRO C[C@H](CCNC(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)[NH+](C)C ZINC000850595880 655560133 /nfs/dbraw/zinc/56/01/33/655560133.db2.gz HEUILYOUGMXGAC-REFGNXHDSA-N 1 0 379.404 1.709 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCC2SCCS2)o1 ZINC000850619368 655561150 /nfs/dbraw/zinc/56/11/50/655561150.db2.gz MCJIUGNLNQHJRE-UHFFFAOYSA-N 1 0 385.555 1.791 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CCO1 ZINC000850729186 655566886 /nfs/dbraw/zinc/56/68/86/655566886.db2.gz DOGMJRUGYJDORM-LBPRGKRZSA-N 1 0 399.289 1.352 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850823565 655568897 /nfs/dbraw/zinc/56/88/97/655568897.db2.gz MLCNEHHRZKPFRD-SECBINFHSA-N 1 0 382.877 1.346 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)CC[C@H]1F ZINC000850862266 655570456 /nfs/dbraw/zinc/57/04/56/655570456.db2.gz SQAZNVMFQQFUDO-GHMZBOCLSA-N 1 0 395.232 1.834 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1Cl ZINC000851648620 655589666 /nfs/dbraw/zinc/58/96/66/655589666.db2.gz LUSQVRHZIADCNW-CHWSQXEVSA-N 1 0 391.896 1.928 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC=C(Br)C2)CC1 ZINC000851679619 655590334 /nfs/dbraw/zinc/59/03/34/655590334.db2.gz YKVFLPZVQQPGRA-UHFFFAOYSA-N 1 0 387.322 1.671 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000851886807 655602452 /nfs/dbraw/zinc/60/24/52/655602452.db2.gz SJJPVNQEFSVXIV-XHSDSOJGSA-N 1 0 375.406 1.893 20 0 GDADRO C[NH+](C)Cc1cc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)ccc1F ZINC000852114785 655607982 /nfs/dbraw/zinc/60/79/82/655607982.db2.gz WJKAAAILRMVDNH-RUZDIDTESA-N 1 0 383.411 1.998 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000852453870 655614384 /nfs/dbraw/zinc/61/43/84/655614384.db2.gz NAOXUFYPYYRECP-GFCCVEGCSA-N 1 0 379.404 1.036 20 0 GDADRO NC(=O)NC(=O)OCCC[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000852491228 655616379 /nfs/dbraw/zinc/61/63/79/655616379.db2.gz YMTYOOLSCMIYSB-UHFFFAOYSA-N 1 0 385.262 1.766 20 0 GDADRO Ic1cnnn1C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000852533450 655617838 /nfs/dbraw/zinc/61/78/38/655617838.db2.gz ZBEFQVBRJHBKCJ-NSHDSACASA-N 1 0 376.242 1.946 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000852587513 655618200 /nfs/dbraw/zinc/61/82/00/655618200.db2.gz ZPLHBHYVGINQME-LBPRGKRZSA-N 1 0 385.452 1.670 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000852597864 655618294 /nfs/dbraw/zinc/61/82/94/655618294.db2.gz JOZVSFBSQFPBAG-HUUCEWRRSA-N 1 0 377.551 1.941 20 0 GDADRO C[C@]1(C(=O)NCCCN2CC[NH2+]CC2)CC1(Br)Br ZINC000852789989 655622551 /nfs/dbraw/zinc/62/25/51/655622551.db2.gz NCBDVZFZMUMQIT-LLVKDONJSA-N 1 0 383.128 1.294 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)c1cnn(-c2ccccc2)c1I ZINC000852796296 655622652 /nfs/dbraw/zinc/62/26/52/655622652.db2.gz BKIAGVUUZREVDT-SNVBAGLBSA-N 1 0 384.221 1.896 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852804712 655623029 /nfs/dbraw/zinc/62/30/29/655623029.db2.gz VTOIIIHDQOFQMM-LLVKDONJSA-N 1 0 383.246 1.258 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)Nc2cc(F)c(I)c(F)c2)=NO1 ZINC000852828216 655623694 /nfs/dbraw/zinc/62/36/94/655623694.db2.gz VQLTWQARVSTLOQ-LURJTMIESA-N 1 0 381.120 1.612 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)=NO1 ZINC000852861575 655624602 /nfs/dbraw/zinc/62/46/02/655624602.db2.gz GGXJULFJDPPOEC-FZMZJTMJSA-N 1 0 381.274 1.495 20 0 GDADRO [NH3+]CC1(CC(=O)N2CCC(n3nncc3I)CC2)CC1 ZINC000852861652 655624637 /nfs/dbraw/zinc/62/46/37/655624637.db2.gz ZXKVTAHARUZFIT-UHFFFAOYSA-N 1 0 389.241 1.175 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852898448 655625804 /nfs/dbraw/zinc/62/58/04/655625804.db2.gz YXXVRZDZJXKSSL-JOYOIKCWSA-N 1 0 375.313 1.446 20 0 GDADRO O=C(c1nc(Cl)cs1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852930062 655628630 /nfs/dbraw/zinc/62/86/30/655628630.db2.gz FHCGNYZXGDQQTA-NSHDSACASA-N 1 0 380.905 1.949 20 0 GDADRO C[C@@]1(NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)CC[NH2+]C1 ZINC000853081500 655632288 /nfs/dbraw/zinc/63/22/88/655632288.db2.gz RTURUZLXMWFRBL-GFCCVEGCSA-N 1 0 393.694 1.781 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccccn1)c1cccc(Cl)c1Cl ZINC000853105496 655632753 /nfs/dbraw/zinc/63/27/53/655632753.db2.gz HRUSRNCVCXELCD-ZDUSSCGKSA-N 1 0 390.292 1.990 20 0 GDADRO O=c1c(Br)nn(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c2ccccc12 ZINC000853524315 655641358 /nfs/dbraw/zinc/64/13/58/655641358.db2.gz LAIIXWUXWDVUJE-LBPRGKRZSA-N 1 0 389.257 1.730 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853645581 655646410 /nfs/dbraw/zinc/64/64/10/655646410.db2.gz BFCAFJGGKUSVTD-UHFFFAOYSA-N 1 0 386.290 1.240 20 0 GDADRO O=S1(=O)N=C(Cl)c2ccc(N3CCC(CO)([NH2+]CC4CC4)CC3)cc21 ZINC000853677926 655647179 /nfs/dbraw/zinc/64/71/79/655647179.db2.gz WYGOUTPOXUCRLZ-UHFFFAOYSA-N 1 0 383.901 1.705 20 0 GDADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1cc(Br)n[nH]1 ZINC000854486758 655667963 /nfs/dbraw/zinc/66/79/63/655667963.db2.gz HLQBRTIPNXXFOB-UHFFFAOYSA-N 1 0 382.262 1.828 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(Br)nn2C)CC1=O ZINC000854588835 655670581 /nfs/dbraw/zinc/67/05/81/655670581.db2.gz OMSISTUPDDZOAE-NEPJUHHUSA-N 1 0 398.305 1.454 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)C[NH+](C)C ZINC000854596005 655672007 /nfs/dbraw/zinc/67/20/07/655672007.db2.gz DPDUWITXFPYEJJ-VIFPVBQESA-N 1 0 378.292 1.024 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cc(Br)no2)CC1=O ZINC000854707841 655674599 /nfs/dbraw/zinc/67/45/99/655674599.db2.gz JRQKRTWRSZIYMX-VXGBXAGGSA-N 1 0 399.289 1.386 20 0 GDADRO C[C@]1(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1(Br)Br ZINC000854743389 655675562 /nfs/dbraw/zinc/67/55/62/655675562.db2.gz KMSKNHRCDGLZRR-CMPLNLGQSA-N 1 0 398.139 1.846 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC(n2nncc2I)CC1 ZINC000855825519 655701990 /nfs/dbraw/zinc/70/19/90/655701990.db2.gz FIEGDFLXWFIBKB-UHFFFAOYSA-N 1 0 391.257 1.386 20 0 GDADRO COc1cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cnc1Br ZINC000856253339 655710893 /nfs/dbraw/zinc/71/08/93/655710893.db2.gz KJPXHPNWPHXHSS-ZDUSSCGKSA-N 1 0 384.274 1.524 20 0 GDADRO CNS(=O)(=O)CC[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000856744740 655716447 /nfs/dbraw/zinc/71/64/47/655716447.db2.gz USOQOFSUIDOREN-HNNXBMFYSA-N 1 0 375.535 1.505 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856840925 655720329 /nfs/dbraw/zinc/72/03/29/655720329.db2.gz XAYUYSZIRSXTDO-STQMWFEESA-N 1 0 379.332 1.812 20 0 GDADRO C[NH+]1CCC2(CCCN2C(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000857169835 655729661 /nfs/dbraw/zinc/72/96/61/655729661.db2.gz WVILYOKXKMZNKE-UHFFFAOYSA-N 1 0 383.290 1.876 20 0 GDADRO CS[C@@H]1CN(C(=O)c2c(Br)nc3n2CCOC3)C[C@@H]1[NH+](C)C ZINC000857164942 655729699 /nfs/dbraw/zinc/72/96/99/655729699.db2.gz UPJVQVQTLNXYCJ-VHSXEESVSA-N 1 0 389.319 1.293 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C2 ZINC000857237903 655731795 /nfs/dbraw/zinc/73/17/95/655731795.db2.gz XDZSSOYGENFCAS-GWCFXTLKSA-N 1 0 398.428 1.482 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1)C(F)(F)F ZINC000858620338 655750681 /nfs/dbraw/zinc/75/06/81/655750681.db2.gz WGBYIRHZIKBKOH-GFCCVEGCSA-N 1 0 377.388 1.750 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N(C)C[C@@H](C)[NH3+])c1 ZINC000858639804 655751787 /nfs/dbraw/zinc/75/17/87/655751787.db2.gz IAUYXKCGROOODC-SNVBAGLBSA-N 1 0 393.303 1.902 20 0 GDADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000858640286 655751793 /nfs/dbraw/zinc/75/17/93/655751793.db2.gz KVEWNYRZTUHFSL-AWEZNQCLSA-N 1 0 389.543 1.219 20 0 GDADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC[N@@H+]1C ZINC000859019447 655759563 /nfs/dbraw/zinc/75/95/63/655759563.db2.gz QMLRRKBGIMDQQH-ZYHUDNBSSA-N 1 0 379.404 1.948 20 0 GDADRO Cc1cnc(Cl)c(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000861515974 655824313 /nfs/dbraw/zinc/82/43/13/655824313.db2.gz UMLZKHLOOVFZRW-VHSXEESVSA-N 1 0 378.782 1.968 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000861520048 655824494 /nfs/dbraw/zinc/82/44/94/655824494.db2.gz UPTMPRLGXVITOD-QMMMGPOBSA-N 1 0 379.816 1.698 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000861539154 655825322 /nfs/dbraw/zinc/82/53/22/655825322.db2.gz AHIITHQUTIIRNK-NSHDSACASA-N 1 0 399.289 1.030 20 0 GDADRO CC(C)(C)n1ncc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1Br ZINC000861719828 655829036 /nfs/dbraw/zinc/82/90/36/655829036.db2.gz PEFJMOBJRJRWIP-NWDGAFQWSA-N 1 0 385.306 1.682 20 0 GDADRO O=C(c1csc(I)n1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861718165 655829138 /nfs/dbraw/zinc/82/91/38/655829138.db2.gz WKJYCSAQRMAINY-IUCAKERBSA-N 1 0 393.250 1.029 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000861734996 655829522 /nfs/dbraw/zinc/82/95/22/655829522.db2.gz LCVIUOLIIXPYQC-GFCCVEGCSA-N 1 0 382.302 1.793 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861807654 655831247 /nfs/dbraw/zinc/83/12/47/655831247.db2.gz DRHPDVBYBQUVKV-UHFFFAOYSA-N 1 0 379.404 1.667 20 0 GDADRO Cn1nncc1NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000862095269 655838429 /nfs/dbraw/zinc/83/84/29/655838429.db2.gz KDUXLSDIQYRPIR-LBPRGKRZSA-N 1 0 385.255 1.480 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(Cl)cc1Cl ZINC000863450589 655873602 /nfs/dbraw/zinc/87/36/02/655873602.db2.gz NOYNRLGZSKRHES-MSRIBSCDSA-N 1 0 393.292 1.961 20 0 GDADRO COc1ccc(Br)c(CS(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC000863451066 655873604 /nfs/dbraw/zinc/87/36/04/655873604.db2.gz TYKYAWQPMIKXAI-NHAGDIPZSA-N 1 0 389.315 1.779 20 0 GDADRO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863545492 655875243 /nfs/dbraw/zinc/87/52/43/655875243.db2.gz TYHVOOFTMRJXBW-VNHYZAJKSA-N 1 0 389.543 1.203 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000863750579 655879690 /nfs/dbraw/zinc/87/96/90/655879690.db2.gz RAQALRZMQNMFKB-RISCZKNCSA-N 1 0 384.274 1.155 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c(I)n1 ZINC000864051194 655888025 /nfs/dbraw/zinc/88/80/25/655888025.db2.gz CUVZHRVTFCPHNP-DDBGAENHSA-N 1 0 381.283 1.804 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(I)nn2C)C1 ZINC000864879987 655907682 /nfs/dbraw/zinc/90/76/82/655907682.db2.gz PVGIBTZAKOWXCL-JTQLQIEISA-N 1 0 376.242 1.486 20 0 GDADRO C[NH+]1CCC(CNC(=S)NCc2ccnc(N3CCSCC3)c2)CC1 ZINC000865254696 655915515 /nfs/dbraw/zinc/91/55/15/655915515.db2.gz DEQKEHFVIVKCKG-UHFFFAOYSA-N 1 0 379.599 1.941 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000865271222 655915913 /nfs/dbraw/zinc/91/59/13/655915913.db2.gz AOEYIXZFYIYBDG-AWEZNQCLSA-N 1 0 382.555 1.051 20 0 GDADRO O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N1[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000865338857 655917399 /nfs/dbraw/zinc/91/73/99/655917399.db2.gz WECPJNNUMDSTLF-BYNSBNAKSA-N 1 0 387.237 1.973 20 0 GDADRO CC(C)[NH+](CCSCC(=O)NC1CCN(S(C)(=O)=O)CC1)C(C)C ZINC000865362014 655918119 /nfs/dbraw/zinc/91/81/19/655918119.db2.gz IQIPVFBBXVJZBY-UHFFFAOYSA-N 1 0 379.592 1.379 20 0 GDADRO Cc1ccnc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1Br ZINC000865489713 655920629 /nfs/dbraw/zinc/92/06/29/655920629.db2.gz HNMFLYLWAZWJLN-NWDGAFQWSA-N 1 0 376.320 1.960 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000865489909 655920731 /nfs/dbraw/zinc/92/07/31/655920731.db2.gz JLAXIFOEFHEBSR-ZNMIVQPWSA-N 1 0 375.535 1.693 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000865508186 655920868 /nfs/dbraw/zinc/92/08/68/655920868.db2.gz COXXUGUZOLNEBZ-SNVBAGLBSA-N 1 0 378.292 1.224 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000865577086 655922172 /nfs/dbraw/zinc/92/21/72/655922172.db2.gz ZJNXBZJTFPQYPE-JTQLQIEISA-N 1 0 377.429 1.313 20 0 GDADRO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]CCS(=O)(=O)CC(F)(F)F)C2 ZINC000865623409 655923116 /nfs/dbraw/zinc/92/31/16/655923116.db2.gz ALGROZWTSZAEAD-UHFFFAOYSA-N 1 0 386.436 1.953 20 0 GDADRO CC(C)C[C@@H](CNC(=O)c1cc(I)nn1C)[NH+](C)C ZINC000865786740 655926513 /nfs/dbraw/zinc/92/65/13/655926513.db2.gz AHHJONRXRBZDKR-JTQLQIEISA-N 1 0 378.258 1.731 20 0 GDADRO O=C1COC[C@]2(C[NH2+]Cc3cc(Br)c(Cl)s3)COCCN12 ZINC000865796515 655927010 /nfs/dbraw/zinc/92/70/10/655927010.db2.gz WGYUIYYCAOOWGC-ZDUSSCGKSA-N 1 0 395.706 1.881 20 0 GDADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cc(Br)no3)CC2)CC1 ZINC000865974157 655931618 /nfs/dbraw/zinc/93/16/18/655931618.db2.gz ONKFOBBBDUSFGJ-UHFFFAOYSA-N 1 0 385.306 1.927 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000866366605 655938515 /nfs/dbraw/zinc/93/85/15/655938515.db2.gz QTZCSNBHIVAVSC-NXEZZACHSA-N 1 0 376.242 1.627 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cccc(Br)c2)CC1 ZINC000866376328 655938863 /nfs/dbraw/zinc/93/88/63/655938863.db2.gz MPEDGSGDFRUBSA-UHFFFAOYSA-N 1 0 377.304 1.795 20 0 GDADRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866443820 655943716 /nfs/dbraw/zinc/94/37/16/655943716.db2.gz VDSFDXISUJZTTD-IATRGZMQSA-N 1 0 390.527 1.629 20 0 GDADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000866500055 655947616 /nfs/dbraw/zinc/94/76/16/655947616.db2.gz SVBKEZAMASMZBH-AWEZNQCLSA-N 1 0 375.535 1.505 20 0 GDADRO O=C1COC[C@@]2(C[NH2+]C3CC(c4cccc(Br)c4)C3)COCCN12 ZINC000866551463 655948917 /nfs/dbraw/zinc/94/89/17/655948917.db2.gz AHLUQGNETJDPFE-JFUPDXTOSA-N 1 0 395.297 1.913 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000866675005 655953276 /nfs/dbraw/zinc/95/32/76/655953276.db2.gz GKCHIAPMCVKSNS-NXEZZACHSA-N 1 0 396.332 1.188 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000866757835 655959525 /nfs/dbraw/zinc/95/95/25/655959525.db2.gz GWSLTPSGOYHEGO-CQSZACIVSA-N 1 0 391.896 1.628 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866768058 655960803 /nfs/dbraw/zinc/96/08/03/655960803.db2.gz MCLCQDYDCOQIGN-MFKMUULPSA-N 1 0 375.288 1.581 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC12CCOCC2 ZINC000866768959 655960963 /nfs/dbraw/zinc/96/09/63/655960963.db2.gz HMXKRIPHTDENHQ-LLVKDONJSA-N 1 0 385.873 1.857 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c(Br)n1 ZINC000866769786 655961064 /nfs/dbraw/zinc/96/10/64/655961064.db2.gz PKCINOYHZZRYKL-MNOVXSKESA-N 1 0 377.308 1.478 20 0 GDADRO C[C@H]1CCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000866771751 655961501 /nfs/dbraw/zinc/96/15/01/655961501.db2.gz WZZHABRJSVEFLW-WDEREUQCSA-N 1 0 379.404 1.793 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c(Cl)cc1Cl ZINC000866788372 655963752 /nfs/dbraw/zinc/96/37/52/655963752.db2.gz IRQAVPJUGNYVHO-RKDXNWHRSA-N 1 0 381.281 1.995 20 0 GDADRO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)C1CC[NH2+]CC1 ZINC000866812760 655966327 /nfs/dbraw/zinc/96/63/27/655966327.db2.gz GKDIVIHNONUDNP-NSHDSACASA-N 1 0 394.946 1.551 20 0 GDADRO Cc1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866816419 655966606 /nfs/dbraw/zinc/96/66/06/655966606.db2.gz LVSJFQZHJBGFJG-BNOWGMLFSA-N 1 0 385.873 1.204 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Cl ZINC000866818439 655966809 /nfs/dbraw/zinc/96/68/09/655966809.db2.gz YNCGKSKFWWEAIE-DFBGVHRSSA-N 1 0 385.873 1.204 20 0 GDADRO C[S@@](=O)(=NS(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000866842500 655969434 /nfs/dbraw/zinc/96/94/34/655969434.db2.gz CVESMPLEDOTYHZ-OWJWWREXSA-N 1 0 389.543 1.215 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cnn(C)c2Br)C[C@@H]1C ZINC000866853763 655970589 /nfs/dbraw/zinc/97/05/89/655970589.db2.gz AWKUPYRBPMPVDO-WDEREUQCSA-N 1 0 379.324 1.676 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000866874245 655972612 /nfs/dbraw/zinc/97/26/12/655972612.db2.gz NFOIQAHDNKSDSR-KGLIPLIRSA-N 1 0 386.389 1.763 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000866895645 655974865 /nfs/dbraw/zinc/97/48/65/655974865.db2.gz XEWNHHMKOVHHKI-HNNXBMFYSA-N 1 0 375.535 1.599 20 0 GDADRO CN1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)c2c[nH+]ccc21 ZINC000866937519 655979204 /nfs/dbraw/zinc/97/92/04/655979204.db2.gz GZWVBYNHCKIAST-DEOSSOPVSA-N 1 0 384.458 1.879 20 0 GDADRO Cn1cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c(Br)n1 ZINC000866954723 655981375 /nfs/dbraw/zinc/98/13/75/655981375.db2.gz JTLYADLPBACRKU-UHFFFAOYSA-N 1 0 379.324 1.678 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000866981652 655983743 /nfs/dbraw/zinc/98/37/43/655983743.db2.gz FFMNZGYQUYELAX-GJZGRUSLSA-N 1 0 381.564 1.097 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)nc1F ZINC000866996010 655985567 /nfs/dbraw/zinc/98/55/67/655985567.db2.gz MSSRDIXRLXZYBS-GRYCIOLGSA-N 1 0 377.869 1.746 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1nc[nH]c1Br ZINC000866995873 655985576 /nfs/dbraw/zinc/98/55/76/655985576.db2.gz LXGBSPKWBDMIMW-GMTAPVOTSA-N 1 0 393.307 1.044 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000867047029 655990786 /nfs/dbraw/zinc/99/07/86/655990786.db2.gz ZMWHCUGSTFGNCZ-XMMPIXPASA-N 1 0 388.559 1.982 20 0 GDADRO CCOC(=O)N1CCC([C@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000867131364 656000216 /nfs/dbraw/zinc/00/02/16/656000216.db2.gz SBTRTZLYBWFEKC-HNNXBMFYSA-N 1 0 375.535 1.649 20 0 GDADRO 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391.251 1.544 20 0 GDADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000872229047 656320507 /nfs/dbraw/zinc/32/05/07/656320507.db2.gz MKEADBXRGHLLEC-RIEGTJTDSA-N 1 0 378.252 1.901 20 0 GDADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000872229717 656320704 /nfs/dbraw/zinc/32/07/04/656320704.db2.gz RXVBLYNDEALMCA-LERXQTSPSA-N 1 0 376.222 1.789 20 0 GDADRO O=C1c2ccccc2C(=O)N1C[C@H](O)CNCc1ncc(Br)s1 ZINC000872239503 656321186 /nfs/dbraw/zinc/32/11/86/656321186.db2.gz IQHJMXAKIHUGCE-SECBINFHSA-N 1 0 396.266 1.652 20 0 GDADRO O=C(c1cccc(Br)c1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872263685 656321985 /nfs/dbraw/zinc/32/19/85/656321985.db2.gz AYHSKSRRYBQDDB-CABCVRRESA-N 1 0 394.269 1.846 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1O ZINC000872262998 656322035 /nfs/dbraw/zinc/32/20/35/656322035.db2.gz TUXLKYNURLNVLG-OAHLLOKOSA-N 1 0 387.230 1.474 20 0 GDADRO Nc1c(Cl)ccc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1Cl 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O=C1O[C@H](CNS(=O)(=O)CCc2ccccc2Cl)CC12CC[NH2+]CC2 ZINC000923682140 656584130 /nfs/dbraw/zinc/58/41/30/656584130.db2.gz AVOZTXSABICBNB-AWEZNQCLSA-N 1 0 386.901 1.487 20 0 GDADRO O=C1O[C@@H](CNS(=O)(=O)c2cscc2C(F)F)CC12CC[NH2+]CC2 ZINC000923683133 656584995 /nfs/dbraw/zinc/58/49/95/656584995.db2.gz GNWHNFNMFTUUEO-SECBINFHSA-N 1 0 380.438 1.649 20 0 GDADRO O=C1O[C@H](CNS(=O)(=O)/C=C/c2ccccc2Cl)CC12CC[NH2+]CC2 ZINC000923684359 656585867 /nfs/dbraw/zinc/58/58/67/656585867.db2.gz XAMXODTYFJZVMM-SEIPJRMCSA-N 1 0 384.885 1.915 20 0 GDADRO O=C1O[C@H](CNS(=O)(=O)c2csc3ccccc23)CC12CC[NH2+]CC2 ZINC000923684894 656586544 /nfs/dbraw/zinc/58/65/44/656586544.db2.gz RXHSFNAAKHGXCQ-LBPRGKRZSA-N 1 0 380.491 1.865 20 0 GDADRO CCOC(=O)CS[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)C(F)(F)F ZINC000876257062 656587652 /nfs/dbraw/zinc/58/76/52/656587652.db2.gz FCBFAEZEWYYLIL-LBPRGKRZSA-N 1 0 383.436 1.775 20 0 GDADRO CCOC(=O)CS[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)C(F)(F)F ZINC000876258287 656589476 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COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000923696331 656591591 /nfs/dbraw/zinc/59/15/91/656591591.db2.gz AHNSSQUOEVCTLM-VIFPVBQESA-N 1 0 381.267 1.956 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000923696551 656591662 /nfs/dbraw/zinc/59/16/62/656591662.db2.gz SIDCMXMATOFNNI-ZDUSSCGKSA-N 1 0 397.266 1.071 20 0 GDADRO [NH3+]CC[C@@H]1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000923699868 656592625 /nfs/dbraw/zinc/59/26/25/656592625.db2.gz PLYXHOAVWPJGHL-SNVBAGLBSA-N 1 0 391.287 1.678 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923701607 656593067 /nfs/dbraw/zinc/59/30/67/656593067.db2.gz IBOXTAUZVSXEQF-LBPRGKRZSA-N 1 0 387.527 1.720 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H](C[NH3+])[C@@H](C)C3)c(Cl)cc21 ZINC000923704419 656593396 /nfs/dbraw/zinc/59/33/96/656593396.db2.gz VCKPJKPUOHEVAQ-FZMZJTMJSA-N 1 0 385.917 1.854 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)c(Cl)cc21 ZINC000923719166 656594935 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COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1oc(Br)cc1C ZINC000876473837 656607161 /nfs/dbraw/zinc/60/71/61/656607161.db2.gz ZXUVDVGYBACREN-HNNXBMFYSA-N 1 0 375.263 1.770 20 0 GDADRO CCn1ncc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1Br ZINC000876520974 656610961 /nfs/dbraw/zinc/61/09/61/656610961.db2.gz ZTFSURNATNQBCZ-UHFFFAOYSA-N 1 0 379.262 1.722 20 0 GDADRO CCN(CCCNC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000876610824 656617431 /nfs/dbraw/zinc/61/74/31/656617431.db2.gz JRCPUJLGPPMENK-CYBMUJFWSA-N 1 0 381.420 1.493 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876622105 656618639 /nfs/dbraw/zinc/61/86/39/656618639.db2.gz BIYIKHYHXSDVKS-OLZOCXBDSA-N 1 0 379.404 1.245 20 0 GDADRO Cn1ncc(C[NH3+])c1C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000876627076 656619109 /nfs/dbraw/zinc/61/91/09/656619109.db2.gz CKRJMDGDKHBAIA-AWEZNQCLSA-N 1 0 379.258 1.855 20 0 GDADRO [NH3+]C[C@@H]1[C@H](C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)C1(F)F ZINC000876632835 656619622 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GDADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000876894572 656637532 /nfs/dbraw/zinc/63/75/32/656637532.db2.gz ULPZTISQSOCABA-VHDGCEQUSA-N 1 0 380.286 1.966 20 0 GDADRO COC[C@@]1(C(=O)NCCc2cc(Cl)ccc2Br)C[NH2+]CCO1 ZINC000876900839 656638471 /nfs/dbraw/zinc/63/84/71/656638471.db2.gz RUGWNTIWBPAVKA-OAHLLOKOSA-N 1 0 391.693 1.766 20 0 GDADRO COC[C@]1(C(=O)N(C)Cc2ccc(F)cc2Br)C[NH2+]CCO1 ZINC000876909920 656638712 /nfs/dbraw/zinc/63/87/12/656638712.db2.gz MNGKFXVBDMRSCA-HNNXBMFYSA-N 1 0 375.238 1.552 20 0 GDADRO [NH3+]C[C@@H]1[C@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)C1(F)F ZINC000876910891 656639098 /nfs/dbraw/zinc/63/90/98/656639098.db2.gz PEBAQRQPXDFHKE-MWLCHTKSSA-N 1 0 387.184 1.955 20 0 GDADRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000876910790 656639182 /nfs/dbraw/zinc/63/91/82/656639182.db2.gz MLUHLWLZTBUJDY-MJRJWQSSSA-N 1 0 389.880 1.429 20 0 GDADRO COC[C@@]1(C(=O)N2CC3(CC3)c3ccc(Br)cc32)C[NH2+]CCO1 ZINC000877011170 656645797 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C[C@H]([NH3+])CN(C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000877096566 656652681 /nfs/dbraw/zinc/65/26/81/656652681.db2.gz KJONFNYODAXQDU-VIFPVBQESA-N 1 0 378.292 1.119 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000877104410 656653261 /nfs/dbraw/zinc/65/32/61/656653261.db2.gz GDNZNENUCZVEFQ-MRVPVSSYSA-N 1 0 387.811 1.443 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000877100372 656653305 /nfs/dbraw/zinc/65/33/05/656653305.db2.gz TXPQSEJKMONOGK-RYUDHWBXSA-N 1 0 398.301 1.722 20 0 GDADRO O=S1(=O)CCC(C[NH2+]C[C@H](O)COc2ccccc2Br)CC1 ZINC000877110402 656653760 /nfs/dbraw/zinc/65/37/60/656653760.db2.gz TXAYRNAFXFLMPM-ZDUSSCGKSA-N 1 0 392.315 1.603 20 0 GDADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877129017 656655909 /nfs/dbraw/zinc/65/59/09/656655909.db2.gz GSMGMFFIOPQHKF-YPMHNXCESA-N 1 0 376.240 1.295 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000877173218 656658352 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386.905 1.145 20 0 GDADRO Cn1ncc(I)c1CNC(=O)c1ccccc1CC[NH3+] ZINC000877291804 656664561 /nfs/dbraw/zinc/66/45/61/656664561.db2.gz NWXNBYMCNNUOHK-UHFFFAOYSA-N 1 0 384.221 1.456 20 0 GDADRO C[NH+](C)C[C@@H]1NC(=O)N([C@@H]2CCN(c3ccc(Br)cc3)C2)C1=O ZINC000924584115 656668365 /nfs/dbraw/zinc/66/83/65/656668365.db2.gz GMKBTVQSBLMAJA-KGLIPLIRSA-N 1 0 381.274 1.510 20 0 GDADRO Cc1oc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1S(=O)(=O)N(C)C ZINC000877363955 656669867 /nfs/dbraw/zinc/66/98/67/656669867.db2.gz UDNPCLBRMVWGAK-VHSXEESVSA-N 1 0 383.392 1.048 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCN(c3ccccc3Br)C1=O)C2 ZINC000877377533 656672272 /nfs/dbraw/zinc/67/22/72/656672272.db2.gz PHFVVCOTTBCHGQ-ZJNRKIDTSA-N 1 0 392.297 1.870 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc3ncc(I)n3c1)C2 ZINC000877374449 656672299 /nfs/dbraw/zinc/67/22/99/656672299.db2.gz JWLIEDHUBFGLNP-XHDPSFHLSA-N 1 0 396.232 1.620 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)ccc1Br ZINC000877391951 656672729 /nfs/dbraw/zinc/67/27/29/656672729.db2.gz KMICBMGEEMCLRZ-DZGCQCFKSA-N 1 0 387.299 1.867 20 0 GDADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000924783385 656674406 /nfs/dbraw/zinc/67/44/06/656674406.db2.gz HAAVSVWOFPUWHY-IAQYHMDHSA-N 1 0 389.279 1.618 20 0 GDADRO COC(=O)[C@]12C[N@H+](Cc3cnn4cc(Br)cnc34)C[C@H]1COCC2 ZINC000877492355 656676954 /nfs/dbraw/zinc/67/69/54/656676954.db2.gz WQPBZGVNSAHRTL-BLLLJJGKSA-N 1 0 395.257 1.503 20 0 GDADRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)C1(Br)CC1 ZINC000924906542 656686812 /nfs/dbraw/zinc/68/68/12/656686812.db2.gz JGPUBSGJDCLMKX-ZDUSSCGKSA-N 1 0 382.306 1.421 20 0 GDADRO COc1cccc(CN2CCN(Cc3ccc(S(N)(=O)=O)s3)CC2)c1 ZINC000877705609 656687912 /nfs/dbraw/zinc/68/79/12/656687912.db2.gz LNVZZQDFUBLMNV-UHFFFAOYSA-N 1 0 381.523 1.722 20 0 GDADRO COC(=O)CNC(=O)CNCc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000877706934 656687938 /nfs/dbraw/zinc/68/79/38/656687938.db2.gz UULTWJOJFHAUEM-UHFFFAOYSA-N 1 0 385.251 1.866 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)C[C@H]2CCC(=O)N2)s1 ZINC000924947978 656688010 /nfs/dbraw/zinc/68/80/10/656688010.db2.gz TWEQBWKHYKXPHD-UONOGXRCSA-N 1 0 387.571 1.968 20 0 GDADRO Cn1cc([C@@H]2CSCCN2C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cn1 ZINC000925159819 656696858 /nfs/dbraw/zinc/69/68/58/656696858.db2.gz DWDXDDNXIYBABB-JYJNAYRXSA-N 1 0 381.571 1.799 20 0 GDADRO O=C(NCCO)C1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000877993078 656700819 /nfs/dbraw/zinc/70/08/19/656700819.db2.gz CPNCUGIELIJMJA-OAHLLOKOSA-N 1 0 391.295 1.554 20 0 GDADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1CC[N@@H+]1CCCOCC1 ZINC000925334144 656705869 /nfs/dbraw/zinc/70/58/69/656705869.db2.gz ANHDIYCMPBWJKA-UHFFFAOYSA-N 1 0 396.285 1.936 20 0 GDADRO O=C(NCC[NH2+][C@H]1C(=O)NCC12CCOCC2)c1cccc(Br)c1 ZINC000925400890 656709855 /nfs/dbraw/zinc/70/98/55/656709855.db2.gz PCFDCGZRKYQDRG-AWEZNQCLSA-N 1 0 396.285 1.064 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cs1)C(N)=O ZINC000878213852 656712307 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C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1nc2ccc(Cl)nc2s1 ZINC000888793153 657937397 /nfs/dbraw/zinc/93/73/97/657937397.db2.gz BKWNHEFEAODGDR-VIFPVBQESA-N 1 0 382.877 1.928 20 0 GDADRO CN1CCN(C(=O)c2ccccc2I)CC[N@H+](C)CC1 ZINC000888998757 657966789 /nfs/dbraw/zinc/96/67/89/657966789.db2.gz HSICFLMCKMKYRH-UHFFFAOYSA-N 1 0 387.265 1.611 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(CC(=O)NCc2ncc(Br)cn2)C1 ZINC000889712083 658019378 /nfs/dbraw/zinc/01/93/78/658019378.db2.gz UIXUMKDIHBTWGB-LLVKDONJSA-N 1 0 385.262 1.130 20 0 GDADRO O=C(c1cnn2cccc(Br)c12)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889738722 658023823 /nfs/dbraw/zinc/02/38/23/658023823.db2.gz BMSWQMSYMWTMBA-CABCVRRESA-N 1 0 393.285 1.768 20 0 GDADRO O=C(c1cc2c(cc1Br)OCO2)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889743763 658025815 /nfs/dbraw/zinc/02/58/15/658025815.db2.gz IETMRUXDFSKKJP-ZIAGYGMSSA-N 1 0 397.269 1.849 20 0 GDADRO CC(C)n1cc(Br)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)n1 ZINC000889742555 658025924 /nfs/dbraw/zinc/02/59/24/658025924.db2.gz JSGWRXRTLRBMPH-KBPBESRZSA-N 1 0 385.306 1.898 20 0 GDADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889755370 658031981 /nfs/dbraw/zinc/03/19/81/658031981.db2.gz GEBCSSTXRDZFBO-CHWSQXEVSA-N 1 0 384.274 1.150 20 0 GDADRO COc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cnc1Br ZINC000889755258 658032252 /nfs/dbraw/zinc/03/22/52/658032252.db2.gz FCZVXHKELDTAQG-QWHCGFSZSA-N 1 0 384.274 1.524 20 0 GDADRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(=O)n1C ZINC000889755466 658032287 /nfs/dbraw/zinc/03/22/87/658032287.db2.gz GKTAWPZVPSBVMT-HUUCEWRRSA-N 1 0 398.301 1.127 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000889812289 658044261 /nfs/dbraw/zinc/04/42/61/658044261.db2.gz VDIWQFQQUJSIOX-QWHCGFSZSA-N 1 0 381.274 1.698 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000889816668 658055635 /nfs/dbraw/zinc/05/56/35/658055635.db2.gz MBGZGASSTPCXKH-STQMWFEESA-N 1 0 381.274 1.696 20 0 GDADRO O=C(N[C@H]1Cc2cc(Br)cnc2NC1=O)[C@H]1CCN1C1CCCC1 ZINC000889817084 658057097 /nfs/dbraw/zinc/05/70/97/658057097.db2.gz PKMLIADUOFLISG-UONOGXRCSA-N 1 0 393.285 1.840 20 0 GDADRO C[C@@](CO)(NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000890630767 658132204 /nfs/dbraw/zinc/13/22/04/658132204.db2.gz SSKLAXMZEQSUJY-RDJZCZTQSA-N 1 0 383.286 1.494 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)c2ccccc2I)C1 ZINC000891321205 658221470 /nfs/dbraw/zinc/22/14/70/658221470.db2.gz AVHQFXXUUDWKRL-RISCZKNCSA-N 1 0 388.249 1.783 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000891470132 658242048 /nfs/dbraw/zinc/24/20/48/658242048.db2.gz CGNHPGFXSOIKEH-RISCZKNCSA-N 1 0 383.290 1.700 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000891484922 658244865 /nfs/dbraw/zinc/24/48/65/658244865.db2.gz JCKMDCGBYBFXCS-SMDDNHRTSA-N 1 0 383.290 1.700 20 0 GDADRO CC[NH+]1CCC(NC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000891547629 658249210 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ZINC000892573241 658334477 /nfs/dbraw/zinc/33/44/77/658334477.db2.gz IGMMIUBRWBUYAU-MJVIPROJSA-N 1 0 381.274 1.369 20 0 GDADRO COCCNS(=O)(=O)c1ccc(C[NH2+]C[C@H]2C[C@]2(C)Br)cc1 ZINC000892711719 658344977 /nfs/dbraw/zinc/34/49/77/658344977.db2.gz JPTMMJVEXAFJIU-HIFRSBDPSA-N 1 0 391.331 1.874 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000892730800 658346964 /nfs/dbraw/zinc/34/69/64/658346964.db2.gz KIRGCQWGAJSRNH-UHFFFAOYSA-N 1 0 375.288 1.861 20 0 GDADRO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCn2ncc(Br)c2C1 ZINC000892787988 658349660 /nfs/dbraw/zinc/34/96/60/658349660.db2.gz FCUYDEHXWXVHET-CQSZACIVSA-N 1 0 390.285 1.885 20 0 GDADRO C[C@@H](CNC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O)[N@H+](C)C1CC1 ZINC000892821576 658351055 /nfs/dbraw/zinc/35/10/55/658351055.db2.gz UUKXJCAYKPXYAE-TVQRCGJNSA-N 1 0 396.289 1.489 20 0 GDADRO O=S(=O)(CC[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1)NCC1CCC1 ZINC000892879534 658357351 /nfs/dbraw/zinc/35/73/51/658357351.db2.gz MUFATRNMDRFXTL-UHFFFAOYSA-N 1 0 386.539 1.300 20 0 GDADRO C[C@]1(Br)C[C@@H]1C[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000892999810 658366582 /nfs/dbraw/zinc/36/65/82/658366582.db2.gz DRJOKPQQYDXAEP-DOMZBBRYSA-N 1 0 395.363 1.723 20 0 GDADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000893178367 658383076 /nfs/dbraw/zinc/38/30/76/658383076.db2.gz ASRMOJHLTSLSSN-ZJUUUORDSA-N 1 0 386.948 1.093 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCCC[N@@H+]1CCO[C@@H](C)C1 ZINC000893387338 658399566 /nfs/dbraw/zinc/39/95/66/658399566.db2.gz COFIOEILULDIHH-STQMWFEESA-N 1 0 376.500 1.069 20 0 GDADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1nc(Br)nn1C ZINC000894038477 658498055 /nfs/dbraw/zinc/49/80/55/658498055.db2.gz DQPHCHDTKSSJBX-UHFFFAOYSA-N 1 0 393.333 1.832 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNCc2c(I)cnn2C)CC1 ZINC000894175544 658516372 /nfs/dbraw/zinc/51/63/72/658516372.db2.gz IUHQSRACRPAHLO-LBPRGKRZSA-N 1 0 391.301 1.140 20 0 GDADRO C[C@@H]([NH2+]Cc1c(I)cnn1C)[C@@H](C)N1CCOCC1 ZINC000894245391 658527138 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CCOC(=O)c1ncc(Br)c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000894622630 658591729 /nfs/dbraw/zinc/59/17/29/658591729.db2.gz JOANQXZGVUVDNA-GFCCVEGCSA-N 1 0 399.289 1.451 20 0 GDADRO Cn1ncc(I)c1CNCCN1CC[N@H+](C)C(C)(C)C1 ZINC000894660354 658595059 /nfs/dbraw/zinc/59/50/59/658595059.db2.gz MRMMGUQDMZQEPE-UHFFFAOYSA-N 1 0 391.301 1.140 20 0 GDADRO O=c1ccc(Br)cn1CC[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894666476 658595833 /nfs/dbraw/zinc/59/58/33/658595833.db2.gz IMSUJQMAEIOQFR-CHWSQXEVSA-N 1 0 375.238 1.834 20 0 GDADRO CN(CC[N@H+](C)C[C@@H]1C[C@@]1(C)Br)c1ccc(S(N)(=O)=O)cc1 ZINC000894689005 658598528 /nfs/dbraw/zinc/59/85/28/658598528.db2.gz ITECCIRVPWGHPV-SWLSCSKDSA-N 1 0 390.347 1.876 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000894866232 658628484 /nfs/dbraw/zinc/62/84/84/658628484.db2.gz LHVNJWOZJMFVSL-ZIAGYGMSSA-N 1 0 391.253 1.434 20 0 GDADRO CCOC(=O)c1nc(N2CCC(O)(C[NH+](C)C)CC2)ccc1Br ZINC000894953735 658640376 /nfs/dbraw/zinc/64/03/76/658640376.db2.gz ISPVGRRYKRGDBS-UHFFFAOYSA-N 1 0 386.290 1.914 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000895088959 658660400 /nfs/dbraw/zinc/66/04/00/658660400.db2.gz TWQLRNPXFLFLFD-AWEZNQCLSA-N 1 0 399.333 1.984 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1sc(N2CCOCC2)nc1Cl ZINC000895259807 658680260 /nfs/dbraw/zinc/68/02/60/658680260.db2.gz NHHIZCZKJVSKFE-UHFFFAOYSA-N 1 0 389.953 1.085 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000895390347 658693157 /nfs/dbraw/zinc/69/31/57/658693157.db2.gz KNTKIQOLNDHGPW-VIFPVBQESA-N 1 0 384.212 1.844 20 0 GDADRO Cn1cc(CN[C@@H]2Cc3ccccc3NC2=O)c(I)n1 ZINC000895403762 658695012 /nfs/dbraw/zinc/69/50/12/658695012.db2.gz WSGVVWVQVINQBR-GFCCVEGCSA-N 1 0 382.205 1.678 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)c2c[nH]nc2I)C[C@@H](C)O1 ZINC000895567968 658711619 /nfs/dbraw/zinc/71/16/19/658711619.db2.gz RCJWMNVSWQYOMU-NXEZZACHSA-N 1 0 392.241 1.243 20 0 GDADRO C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000895593098 658712870 /nfs/dbraw/zinc/71/28/70/658712870.db2.gz YTOATYDNLYAHRD-KBPBESRZSA-N 1 0 376.519 1.473 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000895730070 658724439 /nfs/dbraw/zinc/72/44/39/658724439.db2.gz OHSSOLZRGZCCMQ-UHFFFAOYSA-N 1 0 376.242 1.784 20 0 GDADRO O=C(CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)Nc1ccc(Br)cc1 ZINC000895812695 658731123 /nfs/dbraw/zinc/73/11/23/658731123.db2.gz WPEPWRWKKJHLFM-OAHLLOKOSA-N 1 0 396.285 1.615 20 0 GDADRO O=C(NCc1ncc(Br)cn1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895851149 658733705 /nfs/dbraw/zinc/73/37/05/658733705.db2.gz MWCVPQJKWQJTBU-CYBMUJFWSA-N 1 0 384.278 1.292 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000896203287 658757356 /nfs/dbraw/zinc/75/73/56/658757356.db2.gz WDYFWNVGJAMSCX-HUUCEWRRSA-N 1 0 376.519 1.569 20 0 GDADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1nn2c(c1Br)CCC2 ZINC000896451726 658779719 /nfs/dbraw/zinc/77/97/19/658779719.db2.gz WBFQQJFGLRXFBB-GFCCVEGCSA-N 1 0 397.317 1.823 20 0 GDADRO C[C@H](NC(=O)c1ccc(I)cn1)[C@H]1C[N@H+](C)CCN1C ZINC000896535207 658786014 /nfs/dbraw/zinc/78/60/14/658786014.db2.gz PRAWERFIDFYXRB-GXFFZTMASA-N 1 0 388.253 1.050 20 0 GDADRO C[C@@H](NC(=O)c1nn(C(C)(C)C)cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896534180 658786180 /nfs/dbraw/zinc/78/61/80/658786180.db2.gz SQPKFYPXSYWRIC-DGCLKSJQSA-N 1 0 386.338 1.765 20 0 GDADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896541728 658787660 /nfs/dbraw/zinc/78/76/60/658787660.db2.gz LXJCFBTYJALGKI-KOLCDFICSA-N 1 0 381.830 1.614 20 0 GDADRO COc1ccc(Br)c(CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000896551542 658788653 /nfs/dbraw/zinc/78/86/53/658788653.db2.gz DXMKMJCRDCESPA-BLLLJJGKSA-N 1 0 384.318 1.751 20 0 GDADRO C[C@@H](NC(=O)c1csc(I)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896561113 658790268 /nfs/dbraw/zinc/79/02/68/658790268.db2.gz WLHVBDUTXHXILQ-MWLCHTKSSA-N 1 0 393.294 1.717 20 0 GDADRO C[C@H](NC(=O)COc1ccc(Br)cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896582149 658791783 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CS[C@H]1CN(C(=O)c2c(C)[nH]nc2I)C[C@@H]1[NH+](C)C ZINC000897237851 658834420 /nfs/dbraw/zinc/83/44/20/658834420.db2.gz RFEXTDUFAJWVCY-IUCAKERBSA-N 1 0 394.282 1.440 20 0 GDADRO O=C(N[C@H](CCO)c1ccccc1Br)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897355959 658846047 /nfs/dbraw/zinc/84/60/47/658846047.db2.gz JAVJWMCWWYZKGZ-CZUORRHYSA-N 1 0 383.286 1.710 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)C1 ZINC000897677119 658878790 /nfs/dbraw/zinc/87/87/90/658878790.db2.gz HRDDQFFQCDWEKI-ZDUSSCGKSA-N 1 0 388.295 1.489 20 0 GDADRO CC(C)(C)OC(=O)NCC1(C[NH2+]CCS(=O)(=O)N2CCCC2)CCC1 ZINC000897829567 658892821 /nfs/dbraw/zinc/89/28/21/658892821.db2.gz DKGKBNLKIMFBFD-UHFFFAOYSA-N 1 0 375.535 1.697 20 0 GDADRO O=C(NCc1cscc1Cl)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000897938524 658902107 /nfs/dbraw/zinc/90/21/07/658902107.db2.gz FKAJLQFECHRDEI-GJZGRUSLSA-N 1 0 385.917 1.512 20 0 GDADRO CC(C)(O)C[NH+]1CCC(N[C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897976942 658906783 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O=C(c1ccc2ncc(I)n2c1)N1CC([NH+]2CCCC2)C1 ZINC000898610422 658942072 /nfs/dbraw/zinc/94/20/72/658942072.db2.gz ZPNHYFADAFVCQL-UHFFFAOYSA-N 1 0 396.232 1.859 20 0 GDADRO O=C1NC(=O)C2(CCC([NH2+][C@H]3CCc4ncc(Br)n4C3)CC2)N1 ZINC000898726120 658952681 /nfs/dbraw/zinc/95/26/81/658952681.db2.gz YMECDDMNWJNGQG-VOZQYIJBSA-N 1 0 382.262 1.071 20 0 GDADRO Cn1ncc(I)c1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898831764 658960986 /nfs/dbraw/zinc/96/09/86/658960986.db2.gz UPNDTFXVLMOAIE-MNOVXSKESA-N 1 0 388.253 1.627 20 0 GDADRO O=C(c1nn2c(c1Br)CCC2)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000898983400 658971314 /nfs/dbraw/zinc/97/13/14/658971314.db2.gz AYVMKUVAHDJMBU-GFCCVEGCSA-N 1 0 383.290 1.263 20 0 GDADRO CCCOc1c(Br)cc(C(=O)NCC[N@H+](C)CCO)cc1OC ZINC000899726511 659055068 /nfs/dbraw/zinc/05/50/68/659055068.db2.gz OVGZNIAWNZIVFV-UHFFFAOYSA-N 1 0 389.290 1.900 20 0 GDADRO CC(C)[NH+](CCNC[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C(C)C ZINC000899859474 659062527 /nfs/dbraw/zinc/06/25/27/659062527.db2.gz KHEVBTOBGAOMCY-MRXNPFEDSA-N 1 0 377.595 1.696 20 0 GDADRO C[NH+]1CCN(c2ccc(CNC(=O)CN3CSCCSC3)cn2)CC1 ZINC000900065695 659085344 /nfs/dbraw/zinc/08/53/44/659085344.db2.gz LPVYILSTBOFTSF-UHFFFAOYSA-N 1 0 381.571 1.147 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N(C)C2CC[NH+](CC)CC2)cs1)C(N)=O ZINC000900517718 659117975 /nfs/dbraw/zinc/11/79/75/659117975.db2.gz KBFKSKDKBIQROR-AWEZNQCLSA-N 1 0 384.571 1.984 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900516729 659118030 /nfs/dbraw/zinc/11/80/30/659118030.db2.gz BJDUNVZIGDRZSZ-MRXNPFEDSA-N 1 0 399.289 1.088 20 0 GDADRO Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)C[C@]2(O)CCC[N@@H+](C)C2)s1 ZINC000900524855 659118600 /nfs/dbraw/zinc/11/86/00/659118600.db2.gz LXQPDUBCKJNNMV-BLLLJJGKSA-N 1 0 384.527 1.138 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000900761849 659144295 /nfs/dbraw/zinc/14/42/95/659144295.db2.gz ZFWSAZJHZJAZDE-UHFFFAOYSA-N 1 0 385.306 1.850 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000900822735 659150661 /nfs/dbraw/zinc/15/06/61/659150661.db2.gz QNHNCOUXPHOVCL-CJNGLKHVSA-N 1 0 385.555 1.615 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000901105922 659190237 /nfs/dbraw/zinc/19/02/37/659190237.db2.gz VPCPTERFHYZERA-XJKSGUPXSA-N 1 0 383.539 1.369 20 0 GDADRO O=C(COCCc1ccc(Br)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000901136053 659195424 /nfs/dbraw/zinc/19/54/24/659195424.db2.gz YKBGOHGWGIBRRQ-QGZVFWFLSA-N 1 0 399.329 1.971 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc3ncc(Br)cn3n2)C[C@H]1[NH+](C)C ZINC000901229671 659204529 /nfs/dbraw/zinc/20/45/29/659204529.db2.gz KGRRUDGMCOODLR-VXGBXAGGSA-N 1 0 384.303 1.609 20 0 GDADRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCc4ncc(Br)n4C3)C2=O)cn1 ZINC000901729526 659231196 /nfs/dbraw/zinc/23/11/96/659231196.db2.gz RXEFGCOAPFOQIQ-CMPLNLGQSA-N 1 0 379.262 1.089 20 0 GDADRO O=C1c2cccc(Br)c2CN1CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000902644804 659269614 /nfs/dbraw/zinc/26/96/14/659269614.db2.gz QEDLVQZEKROSFT-SJORKVTESA-N 1 0 394.313 1.893 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1nc2ccc(Br)cn2n1 ZINC000902979747 659286223 /nfs/dbraw/zinc/28/62/23/659286223.db2.gz FBDVSXOUMOELOP-CYBMUJFWSA-N 1 0 394.273 1.475 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1 ZINC000903155758 659297715 /nfs/dbraw/zinc/29/77/15/659297715.db2.gz HAZQYTLROFJPGM-VQCLRJIVSA-N 1 0 388.555 1.849 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)CC(C)(C)C1 ZINC000903226284 659305155 /nfs/dbraw/zinc/30/51/55/659305155.db2.gz KGNQSKNKEADODR-KGLIPLIRSA-N 1 0 378.535 1.407 20 0 GDADRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC1 ZINC000903230156 659308248 /nfs/dbraw/zinc/30/82/48/659308248.db2.gz WGUUAKWCAMCYKD-ZBFHGGJFSA-N 1 0 379.592 1.677 20 0 GDADRO CO[C@]1(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CCS(=O)(=O)C1 ZINC000903365736 659314080 /nfs/dbraw/zinc/31/40/80/659314080.db2.gz PRHWVGKHWZMWRM-KEYYUXOJSA-N 1 0 376.519 1.425 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000903493226 659318064 /nfs/dbraw/zinc/31/80/64/659318064.db2.gz PSGJIQCFWHDLOU-SYEQVDHESA-N 1 0 396.285 1.188 20 0 GDADRO O=S(=O)(N[C@@]12CCC[C@H]1[NH2+]CC2)c1ccc(I)s1 ZINC000903515880 659324152 /nfs/dbraw/zinc/32/41/52/659324152.db2.gz TVOKCUQZOUEIOF-LDYMZIIASA-N 1 0 398.291 1.916 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903517132 659324229 /nfs/dbraw/zinc/32/42/29/659324229.db2.gz BEQDEVKOUGXRCM-CABZTGNLSA-N 1 0 391.287 1.595 20 0 GDADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903517449 659324800 /nfs/dbraw/zinc/32/48/00/659324800.db2.gz BVAQDVNWCFPENE-LBPRGKRZSA-N 1 0 391.287 1.677 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1F ZINC000903517825 659325499 /nfs/dbraw/zinc/32/54/99/659325499.db2.gz FQVJZUQQFYBBOO-MWLCHTKSSA-N 1 0 393.278 1.969 20 0 GDADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CCNCC[NH2+]CC1 ZINC000903519121 659326040 /nfs/dbraw/zinc/32/60/40/659326040.db2.gz AYRCUOLGHCIDME-UHFFFAOYSA-N 1 0 387.303 1.114 20 0 GDADRO CC(C)(CC[NH3+])NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903522387 659328323 /nfs/dbraw/zinc/32/83/23/659328323.db2.gz OIJHIPTXWCLNMA-UHFFFAOYSA-N 1 0 379.276 1.725 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903523219 659328607 /nfs/dbraw/zinc/32/86/07/659328607.db2.gz YDFWJBGBLGSBAY-VXGBXAGGSA-N 1 0 391.287 1.867 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)Cc2cccc(F)c2Br)CCOCC1 ZINC000903525313 659329558 /nfs/dbraw/zinc/32/95/58/659329558.db2.gz SPECSYCSZJWBDG-UHFFFAOYSA-N 1 0 381.267 1.516 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903525423 659329608 /nfs/dbraw/zinc/32/96/08/659329608.db2.gz HYQNAQYYPONDQT-WPRPVWTQSA-N 1 0 377.260 1.429 20 0 GDADRO CSc1ccc(Br)cc1CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000903532999 659331693 /nfs/dbraw/zinc/33/16/93/659331693.db2.gz YJPXIKHMIVVSEC-UHFFFAOYSA-N 1 0 394.360 1.453 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903534423 659332020 /nfs/dbraw/zinc/33/20/20/659332020.db2.gz MJFRVJNVCZQXDK-ZJUUUORDSA-N 1 0 391.287 1.370 20 0 GDADRO CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903535861 659332374 /nfs/dbraw/zinc/33/23/74/659332374.db2.gz YEENXLBMTOSXKC-CHWSQXEVSA-N 1 0 379.404 1.240 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903536698 659332453 /nfs/dbraw/zinc/33/24/53/659332453.db2.gz HOXBKSYVLIHZFL-RHSMWYFYSA-N 1 0 386.539 1.599 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])c(Cl)s1 ZINC000903537115 659332739 /nfs/dbraw/zinc/33/27/39/659332739.db2.gz NUXTUHSPUHBNGX-TVQRCGJNSA-N 1 0 398.959 1.697 20 0 GDADRO CS(=O)(=O)N(CCN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000903541406 659334356 /nfs/dbraw/zinc/33/43/56/659334356.db2.gz VNRSEUMZNKFBFM-GJZGRUSLSA-N 1 0 379.448 1.660 20 0 GDADRO [NH3+][C@@H]1CN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC[C@@H]1C(F)(F)F ZINC000903542267 659334745 /nfs/dbraw/zinc/33/47/45/659334745.db2.gz RJRKAPULSOUQOP-LSDHHAIUSA-N 1 0 377.432 1.839 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cc(F)ccc1Br ZINC000903542787 659334881 /nfs/dbraw/zinc/33/48/81/659334881.db2.gz MERYPSMXKUGWAN-UHFFFAOYSA-N 1 0 381.267 1.717 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cnccc1C(F)(F)F ZINC000903544691 659335603 /nfs/dbraw/zinc/33/56/03/659335603.db2.gz GIBUYEWVQISGQR-LLVKDONJSA-N 1 0 379.404 1.537 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)nc1Cl ZINC000903545262 659335745 /nfs/dbraw/zinc/33/57/45/659335745.db2.gz IGTKTUPHEWOOEW-SNVBAGLBSA-N 1 0 380.297 1.825 20 0 GDADRO O=S(=O)(c1ncccc1Br)N1CC[NH2+]CCC12CCOCC2 ZINC000903549287 659337829 /nfs/dbraw/zinc/33/78/29/659337829.db2.gz IUPHMAGOBHKTDT-UHFFFAOYSA-N 1 0 390.303 1.377 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000903554640 659340022 /nfs/dbraw/zinc/34/00/22/659340022.db2.gz UBVAVKXUBNRZHC-ZDUSSCGKSA-N 1 0 389.905 1.327 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000903561310 659341033 /nfs/dbraw/zinc/34/10/33/659341033.db2.gz MUBRXTDGKKGTSL-CYZMBNFOSA-N 1 0 378.372 1.663 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCCN2CCC([NH3+])CC2)c1 ZINC000903565377 659343114 /nfs/dbraw/zinc/34/31/14/659343114.db2.gz ILHZDEQLTZGYNP-UHFFFAOYSA-N 1 0 376.320 1.459 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c2cccnc12 ZINC000903569720 659344324 /nfs/dbraw/zinc/34/43/24/659344324.db2.gz JBTBWVZEWLSFDM-GHMZBOCLSA-N 1 0 375.372 1.754 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1OC ZINC000903572446 659345108 /nfs/dbraw/zinc/34/51/08/659345108.db2.gz QKZDFJJKCRUUDU-VXNVDRBHSA-N 1 0 388.795 1.867 20 0 GDADRO Cc1cc2cc(S(=O)(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)ccc2[nH]c1=O ZINC000903572983 659345562 /nfs/dbraw/zinc/34/55/62/659345562.db2.gz KMMZDDXNIXNXBZ-VXGBXAGGSA-N 1 0 375.372 1.347 20 0 GDADRO CC(=O)Nc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1F ZINC000903579729 659350446 /nfs/dbraw/zinc/35/04/46/659350446.db2.gz PZRYUTQEMMDZRV-CMPLNLGQSA-N 1 0 383.367 1.684 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC[C@@H]1C(F)(F)F ZINC000903580376 659351085 /nfs/dbraw/zinc/35/10/85/659351085.db2.gz UNGRZPRTRQXYKN-RYUDHWBXSA-N 1 0 375.372 1.428 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC[C@H]1C(F)(F)F ZINC000903580372 659351113 /nfs/dbraw/zinc/35/11/13/659351113.db2.gz UNGRZPRTRQXYKN-NEPJUHHUSA-N 1 0 375.372 1.428 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903580099 659351176 /nfs/dbraw/zinc/35/11/76/659351176.db2.gz RZJYLVVNTNXMJV-UONOGXRCSA-N 1 0 382.404 1.612 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903586243 659354181 /nfs/dbraw/zinc/35/41/81/659354181.db2.gz CXNMGAYLSRDWJK-SNVBAGLBSA-N 1 0 388.291 1.158 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000903589999 659355989 /nfs/dbraw/zinc/35/59/89/659355989.db2.gz SKDGBNYJLYXSPT-GWCFXTLKSA-N 1 0 398.428 1.482 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000903590118 659356008 /nfs/dbraw/zinc/35/60/08/659356008.db2.gz NXBZKPCRMUTDMO-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC000903592186 659356737 /nfs/dbraw/zinc/35/67/37/659356737.db2.gz XKOKLXIKLAMATQ-PBHICJAKSA-N 1 0 387.933 1.782 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1Br ZINC000903591966 659356775 /nfs/dbraw/zinc/35/67/75/659356775.db2.gz JZOPFNKJSOKPOF-HZMBPMFUSA-N 1 0 375.288 1.960 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593842 659357549 /nfs/dbraw/zinc/35/75/49/659357549.db2.gz XQTADMQEESUDBZ-ZDUSSCGKSA-N 1 0 398.428 1.497 20 0 GDADRO CC[C@H]1c2ccsc2CCN1C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903727258 659378133 /nfs/dbraw/zinc/37/81/33/659378133.db2.gz 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375.288 1.943 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1)COc1cc(F)cc(Br)c1 ZINC000905469551 659455787 /nfs/dbraw/zinc/45/57/87/659455787.db2.gz ZOQHCGCGGRRGCJ-XOUADPBQSA-N 1 0 392.265 1.582 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000905515280 659461213 /nfs/dbraw/zinc/46/12/13/659461213.db2.gz CNLIBJDCRQVGQI-QWRGUYRKSA-N 1 0 375.409 1.442 20 0 GDADRO Cn1cc(C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c(Br)n1 ZINC000905520550 659461279 /nfs/dbraw/zinc/46/12/79/659461279.db2.gz ITRZYBLPTCOTIC-CQSZACIVSA-N 1 0 377.283 1.548 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCS(=O)(=O)C1 ZINC000905550582 659463892 /nfs/dbraw/zinc/46/38/92/659463892.db2.gz AIPGOOUMHAPFQM-SWLSCSKDSA-N 1 0 398.308 1.526 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCS(=O)(=O)C1 ZINC000905559741 659465347 /nfs/dbraw/zinc/46/53/47/659465347.db2.gz YSXZUUULFVVVGC-IUODEOHRSA-N 1 0 398.308 1.526 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCS(=O)(=O)C1 ZINC000905559775 659465446 /nfs/dbraw/zinc/46/54/46/659465446.db2.gz ZFCXBJYPLGIKHN-IAQYHMDHSA-N 1 0 398.308 1.526 20 0 GDADRO Cn1nnc2c1C[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)CC2 ZINC000905635728 659470606 /nfs/dbraw/zinc/47/06/06/659470606.db2.gz ZZZAZPMBEOJMNU-STQMWFEESA-N 1 0 381.274 1.464 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccccc1Br)N1CCCC1 ZINC000905665560 659473209 /nfs/dbraw/zinc/47/32/09/659473209.db2.gz USHPEVWNPJOAQZ-AWEZNQCLSA-N 1 0 377.304 1.498 20 0 GDADRO O[C@@H](C[NH2+]Cc1cnc2n1CCOC2)COc1ccc(Br)cc1 ZINC000905699282 659477201 /nfs/dbraw/zinc/47/72/01/659477201.db2.gz ADTBPRKBOVVJHC-AWEZNQCLSA-N 1 0 382.258 1.705 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000905719669 659478939 /nfs/dbraw/zinc/47/89/39/659478939.db2.gz UHIWPOROIVSIHF-RNFRBKRXSA-N 1 0 379.184 1.842 20 0 GDADRO Cc1c(Br)ccnc1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000905960659 659498933 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Cn1cc(C(=O)N(CC[NH+](C)C)C2CCCC2)c(I)n1 ZINC000906673318 659568521 /nfs/dbraw/zinc/56/85/21/659568521.db2.gz KNGWVBNDZZKRLX-UHFFFAOYSA-N 1 0 390.269 1.971 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C[NH2+]1 ZINC000906680752 659569792 /nfs/dbraw/zinc/56/97/92/659569792.db2.gz DTMWVHARWBDJMP-MNOVXSKESA-N 1 0 381.889 1.842 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1Br ZINC000906726362 659576223 /nfs/dbraw/zinc/57/62/23/659576223.db2.gz AEWUGYHQRQZLHM-CYZMBNFOSA-N 1 0 382.258 1.795 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000906745824 659580337 /nfs/dbraw/zinc/58/03/37/659580337.db2.gz AWMGMAZQKMFIAP-SNVBAGLBSA-N 1 0 388.237 1.364 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000906751586 659581490 /nfs/dbraw/zinc/58/14/90/659581490.db2.gz YZKJITJCLUWLLR-CYBMUJFWSA-N 1 0 384.274 1.533 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000906749889 659581530 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C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2c[nH]c3c2cccc3Br)C1 ZINC000907119597 659672831 /nfs/dbraw/zinc/67/28/31/659672831.db2.gz LYPXWLFZKPUAQZ-CQSZACIVSA-N 1 0 388.287 1.275 20 0 GDADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000907651609 659800625 /nfs/dbraw/zinc/80/06/25/659800625.db2.gz PZPYUDSCDQFNJW-UHFFFAOYSA-N 1 0 387.571 1.574 20 0 GDADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc3ncc(Br)cn3n2)CCCO1 ZINC000907756320 659824313 /nfs/dbraw/zinc/82/43/13/659824313.db2.gz OCNUIKBCYVQWMT-GFCCVEGCSA-N 1 0 396.289 1.723 20 0 GDADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000907856358 659839548 /nfs/dbraw/zinc/83/95/48/659839548.db2.gz UPFJRNSNWXAVOJ-UHFFFAOYSA-N 1 0 379.404 1.882 20 0 GDADRO C[NH+](C)CC1(NC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CCC1 ZINC000907962573 659848545 /nfs/dbraw/zinc/84/85/45/659848545.db2.gz CUDIMTMOIVCCDX-UHFFFAOYSA-N 1 0 387.527 1.317 20 0 GDADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000908014494 659854865 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O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2ncc(Br)cn2n1 ZINC000908542264 659924347 /nfs/dbraw/zinc/92/43/47/659924347.db2.gz VBZDLNZQUYVKSR-LBPRGKRZSA-N 1 0 382.262 1.068 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC000909361678 659946401 /nfs/dbraw/zinc/94/64/01/659946401.db2.gz CNENPXMRIMTILW-CYBMUJFWSA-N 1 0 397.313 1.821 20 0 GDADRO O=C(c1nn2c(c1Br)CCC2)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000910366768 659969530 /nfs/dbraw/zinc/96/95/30/659969530.db2.gz SGROOSLRMNVQAW-UHFFFAOYSA-N 1 0 397.317 1.919 20 0 GDADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2cc(Br)n(C)n2)CC1 ZINC000910872316 659987177 /nfs/dbraw/zinc/98/71/77/659987177.db2.gz AJJIVMNQXKWPKA-UHFFFAOYSA-N 1 0 387.322 1.738 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910923077 659988678 /nfs/dbraw/zinc/98/86/78/659988678.db2.gz JBCJJUASSATJOX-KGLIPLIRSA-N 1 0 385.917 1.418 20 0 GDADRO Cc1nc(C)c(CCNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)s1 ZINC000910949256 659989101 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1.645 20 0 GDADRO Cc1cnc([C@H](C)CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)s1 ZINC000911082341 659993836 /nfs/dbraw/zinc/99/38/36/659993836.db2.gz ZZJUNBLXKPYPHB-MIMYLULJSA-N 1 0 378.420 1.409 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911081666 659993856 /nfs/dbraw/zinc/99/38/56/659993856.db2.gz VBBWZTNJCNVWNY-QWHCGFSZSA-N 1 0 382.302 1.817 20 0 GDADRO CCc1nc(CCNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cs1 ZINC000911135346 659996511 /nfs/dbraw/zinc/99/65/11/659996511.db2.gz NVYVSICFOPREDY-WDEREUQCSA-N 1 0 378.420 1.102 20 0 GDADRO O=C(NCCc1nc(C(F)(F)F)cs1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911208528 659998573 /nfs/dbraw/zinc/99/85/73/659998573.db2.gz DEUFFGQFQOKMKF-SNVBAGLBSA-N 1 0 378.420 1.469 20 0 GDADRO O=C(NCCc1nc(C(F)(F)F)cs1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911208526 659998604 /nfs/dbraw/zinc/99/86/04/659998604.db2.gz DEUFFGQFQOKMKF-JTQLQIEISA-N 1 0 378.420 1.469 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1cc(F)cc(Br)c1 ZINC000911254447 660000190 /nfs/dbraw/zinc/00/01/90/660000190.db2.gz FVACZVVAOGPOJH-OWYVNGRQSA-N 1 0 386.265 1.961 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)CC[NH2+]1 ZINC000911301367 660002360 /nfs/dbraw/zinc/00/23/60/660002360.db2.gz AMJUUNNRBRQAHU-DFBGVHRSSA-N 1 0 395.301 1.764 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000911302149 660002398 /nfs/dbraw/zinc/00/23/98/660002398.db2.gz GIBHKSPCHYLEDZ-WFASDCNBSA-N 1 0 394.313 1.899 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC000911314133 660003237 /nfs/dbraw/zinc/00/32/37/660003237.db2.gz WZVRYVBXBNUFEG-NXEZZACHSA-N 1 0 386.265 1.715 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911337210 660003943 /nfs/dbraw/zinc/00/39/43/660003943.db2.gz TXURQGACEVYPPS-CHHLVHLRSA-N 1 0 393.285 1.376 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCSCCC(F)(F)F)C[C@H]1C(F)(F)F ZINC000911357692 660004853 /nfs/dbraw/zinc/00/48/53/660004853.db2.gz HGZDEPCTWUPWMP-HTQZYQBOSA-N 1 0 381.342 1.136 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc1Br ZINC000911359927 660005031 /nfs/dbraw/zinc/00/50/31/660005031.db2.gz GALZGSFXOFCIMC-SUMWQHHRSA-N 1 0 380.286 1.714 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)C(C)C ZINC000911365904 660005515 /nfs/dbraw/zinc/00/55/15/660005515.db2.gz XAJKZWMVAUYOMY-UHFFFAOYSA-N 1 0 380.798 1.826 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911386317 660006139 /nfs/dbraw/zinc/00/61/39/660006139.db2.gz ONEGTPRUFTUACM-LBPRGKRZSA-N 1 0 385.917 1.635 20 0 GDADRO CSC1CCC(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000911403982 660006340 /nfs/dbraw/zinc/00/63/40/660006340.db2.gz TYZMCAUTSKJRAQ-KPFVRQRISA-N 1 0 381.464 1.620 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911429721 660007695 /nfs/dbraw/zinc/00/76/95/660007695.db2.gz VJKLUJJJDCPHHX-AWEZNQCLSA-N 1 0 382.302 1.530 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911521627 660009678 /nfs/dbraw/zinc/00/96/78/660009678.db2.gz WFWUVBWMABIOLA-CQSZACIVSA-N 1 0 382.302 1.912 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2F)CC[C@H]1C[NH3+] ZINC000911581714 660011647 /nfs/dbraw/zinc/01/16/47/660011647.db2.gz NLUXRGYBDBHROS-MNOVXSKESA-N 1 0 386.265 1.648 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC000911581712 660011675 /nfs/dbraw/zinc/01/16/75/660011675.db2.gz NLUXRGYBDBHROS-GHMZBOCLSA-N 1 0 386.265 1.648 20 0 GDADRO CCOc1ccc([C@@]2(C(=O)NCCN3CC[NH2+]CC3)CC2(Cl)Cl)cc1 ZINC000911694693 660017172 /nfs/dbraw/zinc/01/71/72/660017172.db2.gz AQYWIXUCFCFNHT-QGZVFWFLSA-N 1 0 386.323 1.922 20 0 GDADRO [NH3+]CCn1cc(Br)cc(C(=O)Nc2cccc3c2CCN3)c1=O ZINC000911861759 660019700 /nfs/dbraw/zinc/01/97/00/660019700.db2.gz LMIMOPYYSPTVFI-UHFFFAOYSA-N 1 0 377.242 1.790 20 0 GDADRO [NH3+]CCn1cc(Br)cc(C(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000911892565 660020604 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GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000912284511 660031633 /nfs/dbraw/zinc/03/16/33/660031633.db2.gz IGEQSDAYKGZURI-DVYJOKAKSA-N 1 0 380.363 1.806 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)N[C@H]1CCSc2c(F)cccc21 ZINC000912463567 660038678 /nfs/dbraw/zinc/03/86/78/660038678.db2.gz QFYBZKGPBJEZQO-WAZAZEMKSA-N 1 0 384.498 1.502 20 0 GDADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CSc2nnnn2CC(F)(F)F)C12CCC2 ZINC000912601453 660043861 /nfs/dbraw/zinc/04/38/61/660043861.db2.gz UVZJEMPXLWWRII-NXEZZACHSA-N 1 0 378.424 1.317 20 0 GDADRO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1 ZINC000912926122 660060046 /nfs/dbraw/zinc/06/00/46/660060046.db2.gz ZPQMZCQBJVWFDS-JTQLQIEISA-N 1 0 388.287 1.017 20 0 GDADRO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1 ZINC000912926123 660060137 /nfs/dbraw/zinc/06/01/37/660060137.db2.gz ZPQMZCQBJVWFDS-SNVBAGLBSA-N 1 0 388.287 1.017 20 0 GDADRO COc1nsc(CNC(=O)c2cnn(CC[NH+](C)C)c2)c1Br ZINC000912945942 660060925 /nfs/dbraw/zinc/06/09/25/660060925.db2.gz XRNNFOBFGIVSHP-UHFFFAOYSA-N 1 0 388.291 1.602 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)NN1Cc2ccc(Br)cc2C1=O ZINC000912992852 660062689 /nfs/dbraw/zinc/06/26/89/660062689.db2.gz NEFGVPOFZNGWGL-UHFFFAOYSA-N 1 0 392.257 1.508 20 0 GDADRO Cc1c(Cl)c(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)sc1S(N)(=O)=O ZINC000913279358 660075080 /nfs/dbraw/zinc/07/50/80/660075080.db2.gz QLNVFCBJEOXAOW-GASCZTMLSA-N 1 0 391.946 1.771 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N2CC(Cc3ccccc3Br)C2)C1 ZINC000913337464 660077056 /nfs/dbraw/zinc/07/70/56/660077056.db2.gz ZUQRUPCUYXFSHG-UHFFFAOYSA-N 1 0 380.330 1.943 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cccn3ncc(Br)c23)C1 ZINC000913428108 660079129 /nfs/dbraw/zinc/07/91/29/660079129.db2.gz SPBVYTDQVZNVBK-NSHDSACASA-N 1 0 381.274 1.672 20 0 GDADRO CN1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@@H]1CO ZINC000913539619 660085675 /nfs/dbraw/zinc/08/56/75/660085675.db2.gz CPXLFUCNORUGET-KFWWJZLASA-N 1 0 384.274 1.057 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000913681938 660092169 /nfs/dbraw/zinc/09/21/69/660092169.db2.gz ITNBPFSXOCSMGW-UHFFFAOYSA-N 1 0 381.527 1.210 20 0 GDADRO NS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000913891507 660102961 /nfs/dbraw/zinc/10/29/61/660102961.db2.gz REFBHLAAOUGSMN-ZIAGYGMSSA-N 1 0 386.543 1.348 20 0 GDADRO CC[NH+](CC)CCCNC(=O)C1CCN(S(=O)(=O)CC2(F)CC2)CC1 ZINC000913934412 660106090 /nfs/dbraw/zinc/10/60/90/660106090.db2.gz JPILLBILDCCNOJ-UHFFFAOYSA-N 1 0 377.526 1.378 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2cn(C)nc2Br)C[C@H](C)O1 ZINC000913988340 660109236 /nfs/dbraw/zinc/10/92/36/660109236.db2.gz HKBOANJYIYCYKY-TXEJJXNPSA-N 1 0 388.310 1.481 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000914185190 660124892 /nfs/dbraw/zinc/12/48/92/660124892.db2.gz YHQCXXVAKUGZRC-ILXRZTDVSA-N 1 0 375.535 1.788 20 0 GDADRO COc1ncc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000914349925 660141763 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C[C@H]1[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C ZINC000380595925 677677067 /nfs/dbraw/zinc/67/70/67/677677067.db2.gz AOAMCXVXFHQMDF-ZFWWWQNUSA-N 1 0 375.535 1.788 20 0 GDADRO COC[C@@]1(C[NH2+][C@H]2CCCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C ZINC000384982504 677677305 /nfs/dbraw/zinc/67/73/05/677677305.db2.gz NRHNCVMIGSIRBV-YOEHRIQHSA-N 1 0 376.519 1.569 20 0 GDADRO COC(=O)c1cc(NC(=O)NC[C@H]2COCC[NH2+]2)cc(Br)c1F ZINC000599607263 677678959 /nfs/dbraw/zinc/67/89/59/677678959.db2.gz VDCFHIPUWWWLTM-VIFPVBQESA-N 1 0 390.209 1.485 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000798144007 677679258 /nfs/dbraw/zinc/67/92/58/677679258.db2.gz RQYQSVFIYXMFPH-GFCCVEGCSA-N 1 0 376.906 1.566 20 0 GDADRO O=C1CN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC2(CC[NH2+]CC2)N1 ZINC001164394161 718809853 /nfs/dbraw/zinc/80/98/53/718809853.db2.gz ZDVDIETYZYRMKN-UHFFFAOYSA-N 1 0 381.210 1.872 20 0 GDADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164398321 718833441 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GDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc2[nH]cnc2c(Cl)n1 ZINC001164619866 719017210 /nfs/dbraw/zinc/01/72/10/719017210.db2.gz XFCMWPHDTNAOBW-CIUDSAMLSA-N 1 0 386.790 1.233 20 0 GDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nnc1OC ZINC001164618877 719019148 /nfs/dbraw/zinc/01/91/48/719019148.db2.gz UKCFABUAOFFTCG-INTQDDNPSA-N 1 0 376.791 1.413 20 0 GDADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)OC)ncn3)CC2)CC1 ZINC001164614755 719025780 /nfs/dbraw/zinc/02/57/80/719025780.db2.gz XUGHPSHOCWLJSV-UHFFFAOYSA-N 1 0 376.457 1.507 20 0 GDADRO NS(=O)(=O)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC001164630885 719112603 /nfs/dbraw/zinc/11/26/03/719112603.db2.gz XEFUOXGARAGRPL-CRAIPNDOSA-N 1 0 390.484 1.969 20 0 GDADRO C[NH+]1CCN(c2cccc(N3C[C@@H](N4CCCC4=O)[C@H]4OCCC[C@H]4C3)n2)CC1 ZINC001164655203 719304285 /nfs/dbraw/zinc/30/42/85/719304285.db2.gz SIYPXIPBTRNSBS-SVMVAKDDSA-N 1 0 399.539 1.440 20 0 GDADRO 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395.935 1.904 20 0 GDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N)ncn1)CC2 ZINC001164790675 721465231 /nfs/dbraw/zinc/46/52/31/721465231.db2.gz UKJXEHQICUYMLM-QGZVFWFLSA-N 1 0 375.517 1.793 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccnc(Cl)n2)CC3)CC1 ZINC001164797060 721507626 /nfs/dbraw/zinc/50/76/26/721507626.db2.gz YKHRBPYXENCGGE-UHFFFAOYSA-N 1 0 397.861 1.639 20 0 GDADRO Cc1csc2ncnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c12 ZINC001164796604 721507994 /nfs/dbraw/zinc/50/79/94/721507994.db2.gz TVTGUPMPDAPIJT-UHFFFAOYSA-N 1 0 383.525 1.964 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4nc(Cl)ccc42)CC3)CC1 ZINC001164794708 721510074 /nfs/dbraw/zinc/51/00/74/721510074.db2.gz UICWDXNTUJDAQS-UHFFFAOYSA-N 1 0 398.902 1.642 20 0 GDADRO Cc1ccc2ncnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1 ZINC001164794556 721510685 /nfs/dbraw/zinc/51/06/85/721510685.db2.gz RXGUMLSEENBKRT-UHFFFAOYSA-N 1 0 377.496 1.902 20 0 GDADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(N5CCOCC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164898077 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COc1ccccc1C[N@H+](CCO)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737150800 944969859 /nfs/dbraw/zinc/96/98/59/944969859.db2.gz VZBKKCSQSPNDSK-UHFFFAOYSA-N 1 0 396.451 1.698 20 0 GDADRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000820342139 945418463 /nfs/dbraw/zinc/41/84/63/945418463.db2.gz UDYIJNBOPIAXFX-PBHICJAKSA-N 1 0 387.488 1.680 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)c2cncs2)C1 ZINC001571261469 945427944 /nfs/dbraw/zinc/42/79/44/945427944.db2.gz GCNWYBXRFKYLMF-ZDUSSCGKSA-N 1 0 385.453 1.336 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1csc(=O)[nH]1 ZINC001571262533 945440447 /nfs/dbraw/zinc/44/04/47/945440447.db2.gz SRNFHVSOEIFKNK-AULYBMBSSA-N 1 0 385.453 1.327 20 0 GDADRO Cc1cc(N2C[C@H](NC(=O)c3cnsn3)C(C)(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571263134 945451178 /nfs/dbraw/zinc/45/11/78/945451178.db2.gz IIESXDXHHKNUMW-ZDUSSCGKSA-N 1 0 385.457 1.066 20 0 GDADRO CN(C[C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571264413 945482966 /nfs/dbraw/zinc/48/29/66/945482966.db2.gz OCONYWKNBLPTTK-KUHUBIRLSA-N 1 0 385.472 1.363 20 0 GDADRO Cc1cc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H](O)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264599 945487554 /nfs/dbraw/zinc/48/75/54/945487554.db2.gz RYGOSHWXLRIPSV-BFYDXBDKSA-N 1 0 385.472 1.157 20 0 GDADRO CC[C@@H]1CC[C@H](C(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)O1 ZINC001571264661 945490236 /nfs/dbraw/zinc/49/02/36/945490236.db2.gz TUPBSFRJOVUCQN-RHSMWYFYSA-N 1 0 385.472 1.552 20 0 GDADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCOC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571265272 945503534 /nfs/dbraw/zinc/50/35/34/945503534.db2.gz FMJABCBJWNIXTF-WWTUQBGBSA-N 1 0 385.472 1.347 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccn(C)c2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571265407 945509971 /nfs/dbraw/zinc/50/99/71/945509971.db2.gz JVRDERUGNBIEFD-DOMZBBRYSA-N 1 0 385.497 1.907 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)[C@@]1(F)CCOC1 ZINC001571268739 945603985 /nfs/dbraw/zinc/60/39/85/945603985.db2.gz JGYJXNCSRDYVKA-PASDCYSWSA-N 1 0 386.431 1.217 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821094740 945633260 /nfs/dbraw/zinc/63/32/60/945633260.db2.gz PDWDUZWILPKCBO-UHFFFAOYSA-N 1 0 379.852 1.307 20 0 GDADRO Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)s1 ZINC001571271562 945644886 /nfs/dbraw/zinc/64/48/86/945644886.db2.gz DLGIHZUQBODJSA-JQWIXIFHSA-N 1 0 386.485 1.600 20 0 GDADRO Cc1csc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001571271427 945645002 /nfs/dbraw/zinc/64/50/02/945645002.db2.gz CLDJONQMWKIWCT-AAEUAGOBSA-N 1 0 386.485 1.648 20 0 GDADRO Cc1cnn(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)c1 ZINC001571272038 945654590 /nfs/dbraw/zinc/65/45/90/945654590.db2.gz NKMHCTIAFKCMRM-GXTWGEPZSA-N 1 0 386.485 1.212 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001571272094 945655314 /nfs/dbraw/zinc/65/53/14/945655314.db2.gz PDCUTXYRJWGKRM-MRXNPFEDSA-N 1 0 386.500 1.698 20 0 GDADRO CC[C@H](C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[nH]n2)cn1)[NH+](C)C ZINC001571272299 945660489 /nfs/dbraw/zinc/66/04/89/945660489.db2.gz RBZFDGYTGBHCII-JKSUJKDBSA-N 1 0 386.504 1.419 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000821326010 945669664 /nfs/dbraw/zinc/66/96/64/945669664.db2.gz QVPROCWYBLOMSZ-CQSZACIVSA-N 1 0 383.412 1.692 20 0 GDADRO CCc1nc(CN2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000821509697 945713017 /nfs/dbraw/zinc/71/30/17/945713017.db2.gz LLGOHOMODBXGCC-JKSUJKDBSA-N 1 0 398.471 1.100 20 0 GDADRO C[NH+](C)CCOc1ccccc1N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000821587294 945727991 /nfs/dbraw/zinc/72/79/91/945727991.db2.gz PSNIQSLIQWZVAB-UHFFFAOYSA-N 1 0 394.483 1.529 20 0 GDADRO C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CCN(CCn2cccn2)CC1 ZINC000821595470 945733889 /nfs/dbraw/zinc/73/38/89/945733889.db2.gz YCRRPUHTHQZBJB-IBGZPJMESA-N 1 0 396.499 1.193 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001571277658 945744571 /nfs/dbraw/zinc/74/45/71/945744571.db2.gz RJVLKJWQFBAJSX-LBPRGKRZSA-N 1 0 387.394 1.725 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001571278086 945748281 /nfs/dbraw/zinc/74/82/81/945748281.db2.gz VSPYRRHMVASMAF-ZDUSSCGKSA-N 1 0 387.394 1.867 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821623785 945752215 /nfs/dbraw/zinc/75/22/15/945752215.db2.gz SLOXCULIFXZQOJ-GXTWGEPZSA-N 1 0 375.502 1.307 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821625475 945755428 /nfs/dbraw/zinc/75/54/28/945755428.db2.gz OREGZGFCBIUIET-HZPDHXFCSA-N 1 0 380.456 1.975 20 0 GDADRO COCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC001571278663 945757959 /nfs/dbraw/zinc/75/79/59/945757959.db2.gz QKLQJFAHJVNHPS-CVEARBPZSA-N 1 0 386.456 1.087 20 0 GDADRO Cc1noc(C)c1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281404 945804967 /nfs/dbraw/zinc/80/49/67/945804967.db2.gz HYQZNNOQUSHLKI-GFCCVEGCSA-N 1 0 387.469 1.927 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001571281584 945807002 /nfs/dbraw/zinc/80/70/02/945807002.db2.gz JHSGEZDFGSKAJG-XJKSGUPXSA-N 1 0 387.463 1.575 20 0 GDADRO O=C(c1cc[nH]c1)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281677 945809408 /nfs/dbraw/zinc/80/94/08/945809408.db2.gz LIIFRNZFSNRWNH-ZDUSSCGKSA-N 1 0 387.469 1.277 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1ncccc1F ZINC001571281790 945813705 /nfs/dbraw/zinc/81/37/05/945813705.db2.gz AFEIOTCOEUOXTN-UHFFFAOYSA-N 1 0 387.444 1.761 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1C[NH2+]CC1CCOCC1 ZINC001571281998 945822401 /nfs/dbraw/zinc/82/24/01/945822401.db2.gz QWKHPDVWRCJRPJ-HIFRSBDPSA-N 1 0 387.488 1.309 20 0 GDADRO CCc1nc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571282238 945835480 /nfs/dbraw/zinc/83/54/80/945835480.db2.gz VTPOBYHYTVWIIY-LLVKDONJSA-N 1 0 387.469 1.825 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282908 945865168 /nfs/dbraw/zinc/86/51/68/945865168.db2.gz VJXNCBVEGOQSOY-BBRMVZONSA-N 1 0 387.463 1.038 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ccsn1 ZINC001571282923 945869248 /nfs/dbraw/zinc/86/92/48/945869248.db2.gz VUOLWGDPINLDFR-UHFFFAOYSA-N 1 0 387.444 1.761 20 0 GDADRO COc1ccc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)cc1-c1nn[nH]n1 ZINC000821814223 945871232 /nfs/dbraw/zinc/87/12/32/945871232.db2.gz YFMCTAWYHACRDL-UHFFFAOYSA-N 1 0 394.361 1.886 20 0 GDADRO CCOC1CC(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2(C)C)C1 ZINC001571283327 945884628 /nfs/dbraw/zinc/88/46/28/945884628.db2.gz CQNBVHWDJVQARY-PXCJXSSVSA-N 1 0 387.488 1.450 20 0 GDADRO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001571284162 945896632 /nfs/dbraw/zinc/89/66/32/945896632.db2.gz MAUOMPOIRNZTGY-HIFRSBDPSA-N 1 0 387.488 1.594 20 0 GDADRO CC(C)[C@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[nH]n2)n1)[NH+](C)C ZINC001571284676 945904466 /nfs/dbraw/zinc/90/44/66/945904466.db2.gz SMWXLJMHTFWYLU-CZUORRHYSA-N 1 0 387.492 1.036 20 0 GDADRO O=C(C[C@H]1CCCO1)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287255 945970157 /nfs/dbraw/zinc/97/01/57/945970157.db2.gz BSDQDOGVMPRGBE-XJKSGUPXSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571287391 945970753 /nfs/dbraw/zinc/97/07/53/945970753.db2.gz CQEMHYHEWNFUQM-JLZZUVOBSA-N 1 0 388.447 1.511 20 0 GDADRO C[N@@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC001571288012 945980518 /nfs/dbraw/zinc/98/05/18/945980518.db2.gz LJLVOGJWVBLQOZ-HUUCEWRRSA-N 1 0 388.447 1.465 20 0 GDADRO CCO[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287869 945980908 /nfs/dbraw/zinc/98/09/08/945980908.db2.gz JYZBPVLCWYDKAK-SMKXDYDZSA-N 1 0 388.447 1.415 20 0 GDADRO O=C(C[C@H]1CCCO1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571288000 945981205 /nfs/dbraw/zinc/98/12/05/945981205.db2.gz KYVCDDDVWXVGRL-JKSUJKDBSA-N 1 0 388.447 1.656 20 0 GDADRO COC1CC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571288379 945987874 /nfs/dbraw/zinc/98/78/74/945987874.db2.gz PATFZXZYTHWQJU-HWOWSKLDSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571288549 945989035 /nfs/dbraw/zinc/98/90/35/945989035.db2.gz QHVJSYFUWZIXIN-KGLIPLIRSA-N 1 0 388.447 1.371 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571288553 945989068 /nfs/dbraw/zinc/98/90/68/945989068.db2.gz QKRZFUINQGGCPO-DZGCQCFKSA-N 1 0 388.447 1.369 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1cnsn1 ZINC001571288577 945991486 /nfs/dbraw/zinc/99/14/86/945991486.db2.gz QUJMNRAWGJFSJX-LLVKDONJSA-N 1 0 388.432 1.109 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571289551 946009671 /nfs/dbraw/zinc/00/96/71/946009671.db2.gz HJDUJTVYGIRQDJ-XIKOKIGWSA-N 1 0 388.451 1.003 20 0 GDADRO CO[C@@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2)C1CC1 ZINC001571289732 946015025 /nfs/dbraw/zinc/01/50/25/946015025.db2.gz LINGDARFEQSHFO-OAHLLOKOSA-N 1 0 388.497 1.388 20 0 GDADRO O=C(N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2)[C@@H]1CCOC1 ZINC001571290181 946031329 /nfs/dbraw/zinc/03/13/29/946031329.db2.gz WZYMUVLNGGEBKO-IUODEOHRSA-N 1 0 388.497 1.435 20 0 GDADRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H](C)OC)CC2)cc1-c1nn[nH]n1 ZINC001571290241 946035319 /nfs/dbraw/zinc/03/53/19/946035319.db2.gz YLEIOQSNAMLEEM-ZDUSSCGKSA-N 1 0 388.472 1.238 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C)CCCn1ccnc1 ZINC000822505589 946107526 /nfs/dbraw/zinc/10/75/26/946107526.db2.gz NVGQYRIFYVNNJX-UHFFFAOYSA-N 1 0 378.444 1.610 20 0 GDADRO CC[C@H](C(=O)N1CCC[C@H](CNc2cccc(F)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571294491 946136072 /nfs/dbraw/zinc/13/60/72/946136072.db2.gz HNRBUCIUTQOWBB-CZUORRHYSA-N 1 0 389.479 1.997 20 0 GDADRO O=C(Cc1cscn1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571294705 946143918 /nfs/dbraw/zinc/14/39/18/946143918.db2.gz KYTXBHQUXAWQET-GFCCVEGCSA-N 1 0 389.510 1.708 20 0 GDADRO O=C(c1ccc(Cl)[nH]1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571295385 946161388 /nfs/dbraw/zinc/16/13/88/946161388.db2.gz ZHKMBGODPGFBPI-LBPRGKRZSA-N 1 0 389.822 1.992 20 0 GDADRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[nH]n3)cc1)C2)c1ncccn1 ZINC001571297861 946198500 /nfs/dbraw/zinc/19/85/00/946198500.db2.gz BQXAYCMNIOPCPV-UHFFFAOYSA-N 1 0 390.451 1.488 20 0 GDADRO CC(C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC001571297992 946203855 /nfs/dbraw/zinc/20/38/55/946203855.db2.gz GMDKPVYJZFZQIB-OAHLLOKOSA-N 1 0 390.463 1.493 20 0 GDADRO O=C(N[C@@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2)c1cncnc1 ZINC001571298247 946211671 /nfs/dbraw/zinc/21/16/71/946211671.db2.gz LDAAATSRVLVPPP-YLJYHZDGSA-N 1 0 390.451 1.584 20 0 GDADRO Cc1nsc(NC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1-c1nn[nH]n1 ZINC001571299163 946240280 /nfs/dbraw/zinc/24/02/80/946240280.db2.gz JEQWMPSFOKRCSR-JHJVBQTASA-N 1 0 390.517 1.280 20 0 GDADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000822978432 946244399 /nfs/dbraw/zinc/24/43/99/946244399.db2.gz KSWWXZRPEXWAGQ-UHFFFAOYSA-N 1 0 391.479 1.975 20 0 GDADRO O=C(CC[C@H]1CCCO1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299913 946267500 /nfs/dbraw/zinc/26/75/00/946267500.db2.gz QVJYJGMUGJAODH-UONOGXRCSA-N 1 0 390.513 1.968 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCO1 ZINC001571300271 946277779 /nfs/dbraw/zinc/27/77/79/946277779.db2.gz YGRCCEMDPIOXSD-YIYPIFLZSA-N 1 0 390.513 1.728 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC2(C1)CC[NH+](CC1CC(F)(F)C1)CC2 ZINC001571302007 946289337 /nfs/dbraw/zinc/28/93/37/946289337.db2.gz LGWCZUXCBRQYAA-UHFFFAOYSA-N 1 0 391.426 1.778 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)c1cnc(C2CC2)o1 ZINC001571303198 946329631 /nfs/dbraw/zinc/32/96/31/946329631.db2.gz JRFPGBAJPSAJAC-QLPKVWCKSA-N 1 0 391.435 1.592 20 0 GDADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000823171264 946335229 /nfs/dbraw/zinc/33/52/29/946335229.db2.gz SDLWCXGUXAXJKJ-HXUWFJFHSA-N 1 0 378.436 1.234 20 0 GDADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000823171263 946336440 /nfs/dbraw/zinc/33/64/40/946336440.db2.gz SDLWCXGUXAXJKJ-FQEVSTJZSA-N 1 0 378.436 1.234 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)cn1 ZINC001571305766 946374844 /nfs/dbraw/zinc/37/48/44/946374844.db2.gz BXSLGKOHUILDPD-DNVCBOLYSA-N 1 0 391.479 1.892 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cccnc1 ZINC001571305941 946380809 /nfs/dbraw/zinc/38/08/09/946380809.db2.gz DZGHNWZVSPZLAV-QAPCUYQASA-N 1 0 391.479 1.974 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)CCc1cccnc1 ZINC001571306493 946401551 /nfs/dbraw/zinc/40/15/51/946401551.db2.gz LYKWYKJIJOGHFW-KXBFYZLASA-N 1 0 391.479 1.974 20 0 GDADRO O=C(N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@]1(F)CCOC1 ZINC001571307887 946427022 /nfs/dbraw/zinc/42/70/22/946427022.db2.gz IXYLHZIUUBKISJ-UGSOOPFHSA-N 1 0 392.410 1.215 20 0 GDADRO O=C(N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@@]1(F)CCOC1 ZINC001571308397 946433266 /nfs/dbraw/zinc/43/32/66/946433266.db2.gz PPOASOJZEINAKC-KBXCAEBGSA-N 1 0 392.410 1.215 20 0 GDADRO CCc1ccnc(C(=O)N2CC[C@@](C)(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571312912 946506266 /nfs/dbraw/zinc/50/62/66/946506266.db2.gz FMPJXALYMOSXGW-FQEVSTJZSA-N 1 0 392.467 1.605 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)c1cnn2c1CCC2 ZINC001571313504 946522725 /nfs/dbraw/zinc/52/27/25/946522725.db2.gz QLXVVKBUGFQEDB-CJNGLKHVSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)CCc1cnccn1 ZINC001571313797 946532695 /nfs/dbraw/zinc/53/26/95/946532695.db2.gz WLVBTKFRYYMNSI-KBXCAEBGSA-N 1 0 392.467 1.369 20 0 GDADRO Cc1cc(NC[C@H]2CC[C@@H](NC(=O)c3ccncc3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315148 946546663 /nfs/dbraw/zinc/54/66/63/946546663.db2.gz GSBILOGXSQFCQI-LSDHHAIUSA-N 1 0 392.467 1.706 20 0 GDADRO Cc1ccc(C(=O)N2CCC[C@@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001571316012 946564457 /nfs/dbraw/zinc/56/44/57/946564457.db2.gz RSMHNKCDKAWKKQ-HNNXBMFYSA-N 1 0 392.467 1.954 20 0 GDADRO O=C(Cc1cnc[nH]1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CC[C@@H]2C1 ZINC001571316418 946576698 /nfs/dbraw/zinc/57/66/98/946576698.db2.gz CEBRHRHXLQEVDX-SJORKVTESA-N 1 0 392.467 1.113 20 0 GDADRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC000824077652 946578284 /nfs/dbraw/zinc/57/82/84/946578284.db2.gz CRAZUQQOMQHSNY-UAGQMJEPSA-N 1 0 375.473 1.335 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1n[nH]c2c1CCC2 ZINC001571316575 946581765 /nfs/dbraw/zinc/58/17/65/946581765.db2.gz GYBOZQUMPJRWLZ-OAHLLOKOSA-N 1 0 392.467 1.473 20 0 GDADRO Cc1ccn(C)c1C(=O)N[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001571316656 946585766 /nfs/dbraw/zinc/58/57/66/946585766.db2.gz JGKIVZDJQOWEDH-HZPDHXFCSA-N 1 0 392.467 1.484 20 0 GDADRO Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571316779 946587287 /nfs/dbraw/zinc/58/72/87/946587287.db2.gz MLNAQAMBBUDMAE-RYQLBKOJSA-N 1 0 392.467 1.094 20 0 GDADRO Cn1cnc(C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2cccc(-c4nn[nH]n4)c2)CC3)c1 ZINC001571316765 946587955 /nfs/dbraw/zinc/58/79/55/946587955.db2.gz MCPOMOSPPKPZEP-YLJYHZDGSA-N 1 0 392.467 1.527 20 0 GDADRO O=C(CCc1ccncn1)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571316932 946593110 /nfs/dbraw/zinc/59/31/10/946593110.db2.gz QEIVRBFJYQQJOO-GOSISDBHSA-N 1 0 392.467 1.370 20 0 GDADRO Cc1ncncc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1C ZINC001571317016 946595338 /nfs/dbraw/zinc/59/53/38/946595338.db2.gz RYNMWAOOGKEHLW-KSSFIOAISA-N 1 0 392.467 1.748 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571316963 946595358 /nfs/dbraw/zinc/59/53/58/946595358.db2.gz QOIXRXBAILYVOQ-QAPCUYQASA-N 1 0 392.467 1.337 20 0 GDADRO O=C(NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnc2n1CCC2 ZINC001571317031 946596532 /nfs/dbraw/zinc/59/65/32/946596532.db2.gz SNISKNMKAYYXNR-OAHLLOKOSA-N 1 0 392.467 1.261 20 0 GDADRO Cc1cnc(C(=O)N2C[C@H](C)[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571317224 946603949 /nfs/dbraw/zinc/60/39/49/946603949.db2.gz YHDXQURTLXXUGM-LSDHHAIUSA-N 1 0 392.467 1.516 20 0 GDADRO O=C(c1n[nH]c2c1CCC2)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571317506 946610522 /nfs/dbraw/zinc/61/05/22/946610522.db2.gz KKXLPQURJWIYIS-UHFFFAOYSA-N 1 0 392.467 1.427 20 0 GDADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000824255373 946633193 /nfs/dbraw/zinc/63/31/93/946633193.db2.gz HHYDPRSISUXVKS-MRXNPFEDSA-N 1 0 386.500 1.820 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000824305469 946648389 /nfs/dbraw/zinc/64/83/89/946648389.db2.gz QTCYCUMLKPBORG-SJLPKXTDSA-N 1 0 383.500 1.825 20 0 GDADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824384982 946674908 /nfs/dbraw/zinc/67/49/08/946674908.db2.gz JEUDSRHMXRNTGW-CYBMUJFWSA-N 1 0 387.488 1.940 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599905 946850563 /nfs/dbraw/zinc/85/05/63/946850563.db2.gz URZHEGAVVWNPLS-BBRMVZONSA-N 1 0 394.501 1.006 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000825390207 947170898 /nfs/dbraw/zinc/17/08/98/947170898.db2.gz AUAQQGPUMDIELB-QAPCUYQASA-N 1 0 383.500 1.636 20 0 GDADRO C[C@H](CNc1nccnc1-c1nn[nH]n1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573585965 947274799 /nfs/dbraw/zinc/27/47/99/947274799.db2.gz KCMIKTVIUFQSCL-ZIAGYGMSSA-N 1 0 387.492 1.180 20 0 GDADRO CC(C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)=C1CCC1 ZINC001573592601 947342939 /nfs/dbraw/zinc/34/29/39/947342939.db2.gz LCOOBDWQQLCESF-SFHVURJKSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(C)(C)C ZINC001573593421 947370086 /nfs/dbraw/zinc/37/00/86/947370086.db2.gz SXPFCVJVXFVUIC-GOEBONIOSA-N 1 0 388.516 1.800 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C1CCC1 ZINC001573594113 947385056 /nfs/dbraw/zinc/38/50/56/947385056.db2.gz XJZLXANWCPZBIE-RDTXWAMCSA-N 1 0 386.500 1.554 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccco1 ZINC001573594832 947409001 /nfs/dbraw/zinc/40/90/01/947409001.db2.gz CTDCGPPQBRGCAY-VXGBXAGGSA-N 1 0 390.469 1.234 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC001573599289 947454593 /nfs/dbraw/zinc/45/45/93/947454593.db2.gz XGUDBWTXZLGXFG-BDAKNGLRSA-N 1 0 392.407 1.036 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC001573599302 947455071 /nfs/dbraw/zinc/45/50/71/947455071.db2.gz XGUDBWTXZLGXFG-DTWKUNHWSA-N 1 0 392.407 1.036 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC001573599453 947458254 /nfs/dbraw/zinc/45/82/54/947458254.db2.gz YGDMJFDASVKICI-GXTWGEPZSA-N 1 0 392.529 1.663 20 0 GDADRO COCCC[N@H+](CCOC)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826155804 947491416 /nfs/dbraw/zinc/49/14/16/947491416.db2.gz CRDZAVMPCLLZJT-UHFFFAOYSA-N 1 0 385.472 1.752 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000826158394 947499158 /nfs/dbraw/zinc/49/91/58/947499158.db2.gz NPMYRTFBIYXQIA-UHFFFAOYSA-N 1 0 395.467 1.763 20 0 GDADRO C[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1cccnc1 ZINC001573603995 947503731 /nfs/dbraw/zinc/50/37/31/947503731.db2.gz QNUDAACTPDVUDK-CYBMUJFWSA-N 1 0 383.431 1.753 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000826183098 947563929 /nfs/dbraw/zinc/56/39/29/947563929.db2.gz DDRRYALTDASYIS-IRXDYDNUSA-N 1 0 383.456 1.697 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000826183099 947564030 /nfs/dbraw/zinc/56/40/30/947564030.db2.gz DDRRYALTDASYIS-SJORKVTESA-N 1 0 383.456 1.697 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC001573354686 947636344 /nfs/dbraw/zinc/63/63/44/947636344.db2.gz HAOCEMLUKQEZRC-AWEZNQCLSA-N 1 0 384.465 1.452 20 0 GDADRO C[C@H](C(=O)N1CCC(N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573619666 947669535 /nfs/dbraw/zinc/66/95/35/947669535.db2.gz XBQPUNMNAKWPJQ-SUMWQHHRSA-N 1 0 385.472 1.504 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573626250 947706212 /nfs/dbraw/zinc/70/62/12/947706212.db2.gz SHEUHEAJARIVOW-XJKSGUPXSA-N 1 0 380.456 1.094 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573367694 947761735 /nfs/dbraw/zinc/76/17/35/947761735.db2.gz GDBYURCTUZTJIJ-ZFWWWQNUSA-N 1 0 385.472 1.339 20 0 GDADRO Cc1cc(NC(=O)Cc2noc(C)c2-c2nn[nH]n2)n(C2CC[NH+](C)CC2)n1 ZINC000826270288 947781331 /nfs/dbraw/zinc/78/13/31/947781331.db2.gz TUCHCGAKMNSMBS-UHFFFAOYSA-N 1 0 385.432 1.116 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573372686 947781671 /nfs/dbraw/zinc/78/16/71/947781671.db2.gz CBVVLDMMTLFQHO-OAHLLOKOSA-N 1 0 385.472 1.484 20 0 GDADRO CC(=O)CCCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573374283 947807418 /nfs/dbraw/zinc/80/74/18/947807418.db2.gz IWJGLXWUGWSCDV-UHFFFAOYSA-N 1 0 376.486 1.672 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573375550 947821649 /nfs/dbraw/zinc/82/16/49/947821649.db2.gz ODOUPLTUWOKAEV-INIZCTEOSA-N 1 0 387.488 1.694 20 0 GDADRO CC(=O)CCCC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001573376289 947834639 /nfs/dbraw/zinc/83/46/39/947834639.db2.gz XMYHYDSVWAIJPN-UHFFFAOYSA-N 1 0 388.447 1.846 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1CCCCCC1 ZINC001573638367 947837726 /nfs/dbraw/zinc/83/77/26/947837726.db2.gz LPDQQKHJAYORBS-INIZCTEOSA-N 1 0 383.500 1.780 20 0 GDADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C1CC1 ZINC001573642381 947861436 /nfs/dbraw/zinc/86/14/36/947861436.db2.gz PZOHTTQXCJYYET-WFASDCNBSA-N 1 0 388.447 1.369 20 0 GDADRO Cc1nc2n(n1)CCC[C@H]2NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826329032 947959311 /nfs/dbraw/zinc/95/93/11/947959311.db2.gz NRNAOXCBPNSJAW-GOSISDBHSA-N 1 0 393.499 1.856 20 0 GDADRO C[C@@H](C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573656352 947987652 /nfs/dbraw/zinc/98/76/52/947987652.db2.gz DYZDPFAOGJYDEF-CJNGLKHVSA-N 1 0 385.472 1.552 20 0 GDADRO C[C@@H](C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573666010 948079596 /nfs/dbraw/zinc/07/95/96/948079596.db2.gz OOACUBUYSXZJLV-IUDNXUCKSA-N 1 0 392.467 1.722 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573671365 948107259 /nfs/dbraw/zinc/10/72/59/948107259.db2.gz FHIPEPNDQOGOAA-KSSFIOAISA-N 1 0 377.452 1.756 20 0 GDADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826359263 948115219 /nfs/dbraw/zinc/11/52/19/948115219.db2.gz AYSOFTIKKCVDHM-KSZLIROESA-N 1 0 383.456 1.222 20 0 GDADRO Cn1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360807 948125679 /nfs/dbraw/zinc/12/56/79/948125679.db2.gz YUGISPANFHELFV-GOSISDBHSA-N 1 0 378.484 1.937 20 0 GDADRO NC(=O)c1ccc(C[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000826393445 948200003 /nfs/dbraw/zinc/20/00/03/948200003.db2.gz SFLDDWMEGLFZHG-UHFFFAOYSA-N 1 0 392.467 1.115 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001573681640 948210774 /nfs/dbraw/zinc/21/07/74/948210774.db2.gz YHQDSKYMWXAUSK-CABCVRRESA-N 1 0 386.504 1.467 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccsc1 ZINC001573681906 948216672 /nfs/dbraw/zinc/21/66/72/948216672.db2.gz YSBPBCIZORNYHL-PWSUYJOCSA-N 1 0 392.510 1.360 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC001573690252 948222529 /nfs/dbraw/zinc/22/25/29/948222529.db2.gz BWRIUVONASPEAV-SWLSCSKDSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573690266 948222951 /nfs/dbraw/zinc/22/29/51/948222951.db2.gz BYDRXRCVJTZDTA-AAEUAGOBSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573690819 948229760 /nfs/dbraw/zinc/22/97/60/948229760.db2.gz FTHZMUCPUYMUDD-SMDDNHRTSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCC1)[C@@H]1CCCO1 ZINC001573691790 948247660 /nfs/dbraw/zinc/24/76/60/948247660.db2.gz ISXZJDYLADMMGR-YOEHRIQHSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1ccco1 ZINC001573695254 948302752 /nfs/dbraw/zinc/30/27/52/948302752.db2.gz FUSZJIIGXIKQHJ-NZBPQXDJSA-N 1 0 379.424 1.457 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573703613 948356794 /nfs/dbraw/zinc/35/67/94/948356794.db2.gz LHZNVNSTYUNHMS-KBPBESRZSA-N 1 0 381.440 1.991 20 0 GDADRO O=C1[C@@H]([NH+]2CCC3(CC2)OCCO3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476621 948383086 /nfs/dbraw/zinc/38/30/86/948383086.db2.gz LFNYTWLFLKTLCB-INIZCTEOSA-N 1 0 384.440 1.201 20 0 GDADRO OCC[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000826509440 948429095 /nfs/dbraw/zinc/42/90/95/948429095.db2.gz VXOMEPJPSGPOOC-SJLPKXTDSA-N 1 0 375.473 1.527 20 0 GDADRO c1[nH]nc2c1CC[C@H]([NH2+]C1CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC1)C2 ZINC000826513450 948437632 /nfs/dbraw/zinc/43/76/32/948437632.db2.gz LVPGBEJDCXBCAA-SFHVURJKSA-N 1 0 378.484 1.701 20 0 GDADRO c1cnc(NCC[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000826525737 948464791 /nfs/dbraw/zinc/46/47/91/948464791.db2.gz XDPPLFPMOMVGOX-UHFFFAOYSA-N 1 0 379.472 1.323 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573709036 948465018 /nfs/dbraw/zinc/46/50/18/948465018.db2.gz ZKUCQNFLMPGKRP-ZBFHGGJFSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573713802 948467381 /nfs/dbraw/zinc/46/73/81/948467381.db2.gz BUFBEBARIMHENM-KGLIPLIRSA-N 1 0 381.444 1.052 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1)[C@@H]1CCCO1 ZINC001573720918 948536519 /nfs/dbraw/zinc/53/65/19/948536519.db2.gz SVVUBUDDFPBIEJ-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001573727278 948553793 /nfs/dbraw/zinc/55/37/93/948553793.db2.gz LVZILBAHDOKGQJ-AHEZYBDSSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573728180 948560190 /nfs/dbraw/zinc/56/01/90/948560190.db2.gz PRERMLIHGQPBFX-SDDRHHMPSA-N 1 0 379.415 1.672 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1F ZINC001573746879 948686646 /nfs/dbraw/zinc/68/66/46/948686646.db2.gz MKPQXGNLUQGPFA-RWMBFGLXSA-N 1 0 381.415 1.686 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCCO1 ZINC001573749326 948699799 /nfs/dbraw/zinc/69/97/99/948699799.db2.gz YGTMHFMDDVXCGC-UWIFEVILSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[C@@H]1CCCO1 ZINC001573752622 948714722 /nfs/dbraw/zinc/71/47/22/948714722.db2.gz PCDKTMZDPNYHJB-JGRFCZEVSA-N 1 0 382.468 1.228 20 0 GDADRO CC(C)[C@@H](F)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574079666 948774249 /nfs/dbraw/zinc/77/42/49/948774249.db2.gz DOFPKSFNAMQUET-XJKCOSOUSA-N 1 0 378.427 1.984 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccn(C)n1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574916601 948782000 /nfs/dbraw/zinc/78/20/00/948782000.db2.gz FHFZRMPMXBLNAI-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CNC(=O)CCc1ccn(C)n1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574916602 948784171 /nfs/dbraw/zinc/78/41/71/948784171.db2.gz FHFZRMPMXBLNAI-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)[C@@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCC1 ZINC001574679492 948784688 /nfs/dbraw/zinc/78/46/88/948784688.db2.gz WGKRNJNUSNFUKF-BBRMVZONSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@H](CNC(=O)CCc1ccn(C)n1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574916698 948786401 /nfs/dbraw/zinc/78/64/01/948786401.db2.gz HTEDPFDBRKZHQS-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001574419630 948786683 /nfs/dbraw/zinc/78/66/83/948786683.db2.gz HKCYJPYBDVEWHR-SHTZXODSSA-N 1 0 380.456 1.764 20 0 GDADRO CC(F)(F)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2C1 ZINC001575224621 948788323 /nfs/dbraw/zinc/78/83/23/948788323.db2.gz PHVGWINLCUUDID-PHIMTYICSA-N 1 0 382.440 1.864 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccnn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574916876 948794222 /nfs/dbraw/zinc/79/42/22/948794222.db2.gz LRLKBSTXDKBLNS-LBPRGKRZSA-N 1 0 388.501 1.231 20 0 GDADRO CC(F)(F)C1(C(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001575224794 948795360 /nfs/dbraw/zinc/79/53/60/948795360.db2.gz YZEZJTRRVSHFNU-PHIMTYICSA-N 1 0 377.399 1.426 20 0 GDADRO C[C@H](CNC(=O)CCCc1ccccn1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574918514 948849828 /nfs/dbraw/zinc/84/98/28/948849828.db2.gz LZHASPZMJFJAMD-CQSZACIVSA-N 1 0 380.456 1.621 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573762715 948859014 /nfs/dbraw/zinc/85/90/14/948859014.db2.gz ZIDJHGMAGRPOTB-OAHLLOKOSA-N 1 0 391.479 1.922 20 0 GDADRO CC(C)(C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573764661 948896211 /nfs/dbraw/zinc/89/62/11/948896211.db2.gz PRNKLDUKLFDZKY-JTQLQIEISA-N 1 0 383.378 1.675 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574685432 948911412 /nfs/dbraw/zinc/91/14/12/948911412.db2.gz VZIXPGDVMHUXJI-QWRGUYRKSA-N 1 0 378.868 1.174 20 0 GDADRO C[C@@H](CNC(=O)C[NH+]1CCCC1)CNc1snc(Cl)c1-c1nn[nH]n1 ZINC001574925581 948972539 /nfs/dbraw/zinc/97/25/39/948972539.db2.gz BHZYCJPXVWJRJF-VIFPVBQESA-N 1 0 384.897 1.237 20 0 GDADRO C[C@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001574688850 948973635 /nfs/dbraw/zinc/97/36/35/948973635.db2.gz AICWVLLLGQSLPU-ZIAGYGMSSA-N 1 0 387.492 1.228 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC001573774047 948996893 /nfs/dbraw/zinc/99/68/93/948996893.db2.gz PQBOKGJMUVBIRZ-QGZVFWFLSA-N 1 0 386.500 1.650 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001575501349 949007352 /nfs/dbraw/zinc/00/73/52/949007352.db2.gz HFIVZZSJPAWKRW-KBPBESRZSA-N 1 0 381.440 1.324 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)cn2)CCC1)[NH+]1CCCC1 ZINC001573774599 949017424 /nfs/dbraw/zinc/01/74/24/949017424.db2.gz OQGTWTYFYKZYQO-UHFFFAOYSA-N 1 0 384.488 1.587 20 0 GDADRO CC(C)(C(=O)NC[C@H](Nc1ccc(-c2nn[nH]n2)cn1)C1CC1)[NH+]1CCCC1 ZINC001573775492 949042843 /nfs/dbraw/zinc/04/28/43/949042843.db2.gz XSEYKCGJYYNFQI-HNNXBMFYSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](CCNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574692945 949047609 /nfs/dbraw/zinc/04/76/09/949047609.db2.gz DPSTURHMORESTC-DTWKUNHWSA-N 1 0 384.897 1.378 20 0 GDADRO C[C@H](NC(=O)[C@H](C)n1cccc1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251060 949125415 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FSOJDYALAHYXDE-ZIAGYGMSSA-N 1 0 382.472 1.405 20 0 GDADRO C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575253252 949182930 /nfs/dbraw/zinc/18/29/30/949182930.db2.gz JKJAQTORHKFQAP-WDEREUQCSA-N 1 0 392.895 1.705 20 0 GDADRO C[C@@H](NC(=O)C1(F)CCOCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575253631 949192825 /nfs/dbraw/zinc/19/28/25/949192825.db2.gz KZKTXFOIKIBOPS-CYBMUJFWSA-N 1 0 388.447 1.322 20 0 GDADRO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001575253601 949195127 /nfs/dbraw/zinc/19/51/27/949195127.db2.gz KXOCFYWDEXZWKT-NWDGAFQWSA-N 1 0 375.452 1.653 20 0 GDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575515902 949197738 /nfs/dbraw/zinc/19/77/38/949197738.db2.gz MUPYKGVPTYDDDG-BFUOFWGJSA-N 1 0 381.440 1.123 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)n1cccc1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575254465 949202414 /nfs/dbraw/zinc/20/24/14/949202414.db2.gz WCDDWNLMGJDDDB-CABCVRRESA-N 1 0 379.468 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ZINC001574726324 949934140 /nfs/dbraw/zinc/93/41/40/949934140.db2.gz ZASAHLBRSPDYJX-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CN(C)C(=O)COC1CCCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574727414 949964009 /nfs/dbraw/zinc/96/40/09/949964009.db2.gz SDKCVQJGUSAMGB-CYBMUJFWSA-N 1 0 390.463 1.902 20 0 GDADRO CC1(C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCCCC1 ZINC001575572061 949968037 /nfs/dbraw/zinc/96/80/37/949968037.db2.gz CVJLEVHDIOVXQQ-QGZVFWFLSA-N 1 0 386.500 1.794 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180678 949971824 /nfs/dbraw/zinc/97/18/24/949971824.db2.gz QGQYZPWYQBGXKN-BXUZGUMPSA-N 1 0 384.469 1.493 20 0 GDADRO C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576181295 949998127 /nfs/dbraw/zinc/99/81/27/949998127.db2.gz HFSDALYQEBUDRW-ZIAGYGMSSA-N 1 0 380.456 1.151 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574728789 950010430 /nfs/dbraw/zinc/01/04/30/950010430.db2.gz JSUASJZVSCCUIA-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574491180 950021967 /nfs/dbraw/zinc/02/19/67/950021967.db2.gz ANRPWNIVJLLMFF-ZBFHGGJFSA-N 1 0 380.456 1.405 20 0 GDADRO CC1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)CC2)CCOCC1 ZINC001575575110 950042013 /nfs/dbraw/zinc/04/20/13/950042013.db2.gz DYFHCALQGPLWRU-UHFFFAOYSA-N 1 0 388.447 1.561 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=CCOCC1 ZINC001574150950 950043607 /nfs/dbraw/zinc/04/36/07/950043607.db2.gz HRUPDPKUZPBTFB-AWEZNQCLSA-N 1 0 390.513 1.895 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574731966 950058408 /nfs/dbraw/zinc/05/84/08/950058408.db2.gz YYFRFVHELBKTNX-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C[NH2+]Cc1ccccn1 ZINC001576182700 950062283 /nfs/dbraw/zinc/06/22/83/950062283.db2.gz OYLAFCAKRBIUAD-GUYCJALGSA-N 1 0 380.456 1.620 20 0 GDADRO 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C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1 ZINC001574498365 950268842 /nfs/dbraw/zinc/26/88/42/950268842.db2.gz MUBOVDMYLDVBOF-ABAIWWIYSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575589898 950271541 /nfs/dbraw/zinc/27/15/41/950271541.db2.gz YQGLUUQHKSVKGQ-KUHUBIRLSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C[NH2+]Cc1cscn1 ZINC001576192966 950276811 /nfs/dbraw/zinc/27/68/11/950276811.db2.gz RVSBPEIQFDXDSD-WCQYABFASA-N 1 0 386.485 1.539 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1cnc[nH]1 ZINC001575905731 950299613 /nfs/dbraw/zinc/29/96/13/950299613.db2.gz DTQRRNYXLYQTNM-MEDUHNTESA-N 1 0 384.419 1.051 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccn1 ZINC001575906947 950321499 /nfs/dbraw/zinc/32/14/99/950321499.db2.gz LBEBJGHPUYLYFP-IAQYHMDHSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C[NH2+]Cc1cncs1 ZINC001576194046 950329642 /nfs/dbraw/zinc/32/96/42/950329642.db2.gz YARGNCIQDQQCBD-RYUDHWBXSA-N 1 0 386.485 1.539 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cnsn1 ZINC001575907542 950332935 /nfs/dbraw/zinc/33/29/35/950332935.db2.gz OVDZGIMRMPHDPL-TVQRCGJNSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1ccc[nH]1 ZINC001575907779 950341548 /nfs/dbraw/zinc/34/15/48/950341548.db2.gz QJTJZHCUXTZPNJ-YVEFUNNKSA-N 1 0 383.431 1.656 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)C1CCOCC1 ZINC001575907953 950348805 /nfs/dbraw/zinc/34/88/05/950348805.db2.gz RXOBAIHPKKLXKK-SJCJKPOMSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccnn1C ZINC001575908289 950359298 /nfs/dbraw/zinc/35/92/98/950359298.db2.gz UBRBTLFECUIPHP-IAQYHMDHSA-N 1 0 384.419 1.132 20 0 GDADRO CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3(O)CCC(C(=O)[O-])CC3)C2)ccn1 ZINC001589715148 950370901 /nfs/dbraw/zinc/37/09/01/950370901.db2.gz NJUHQMDSRDIJMH-IPFXWSOASA-N 1 0 391.512 1.992 20 0 GDADRO C[C@@]1(C(=O)NCC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575596495 950380408 /nfs/dbraw/zinc/38/04/08/950380408.db2.gz SVNSZSARJPUZOM-SCLBCKFNSA-N 1 0 390.513 1.683 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001576197505 950396853 /nfs/dbraw/zinc/39/68/53/950396853.db2.gz PBWASVFTEKNOKX-AWEZNQCLSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576199179 950419423 /nfs/dbraw/zinc/41/94/23/950419423.db2.gz XCEDOSBNXWVZMB-KBPBESRZSA-N 1 0 387.463 1.385 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCn1ccnc1 ZINC001575910578 950422092 /nfs/dbraw/zinc/42/20/92/950422092.db2.gz LWMQJDWYGUNNCJ-WMLDXEAASA-N 1 0 380.456 1.233 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575910595 950422250 /nfs/dbraw/zinc/42/22/50/950422250.db2.gz MBQQYXOZAVOACZ-YGRLFVJLSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575597899 950422846 /nfs/dbraw/zinc/42/28/46/950422846.db2.gz ZTXBOOCHNLIRGS-IQUTYRLHSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H](CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574504014 950422906 /nfs/dbraw/zinc/42/29/06/950422906.db2.gz ZHEWYVUEVJJOLV-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@H](O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001573860997 950430826 /nfs/dbraw/zinc/43/08/26/950430826.db2.gz OKHQNFRGJSXJJZ-CVEARBPZSA-N 1 0 388.472 1.793 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576204564 950468373 /nfs/dbraw/zinc/46/83/73/950468373.db2.gz QEAAOPCDUVWELM-RYUDHWBXSA-N 1 0 376.440 1.049 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C2CC2)CC1 ZINC001576204703 950474029 /nfs/dbraw/zinc/47/40/29/950474029.db2.gz ARIXJVCUUDGGFZ-INIZCTEOSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574752363 950480984 /nfs/dbraw/zinc/48/09/84/950480984.db2.gz VTWMKVZQPFAKLG-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576205256 950507357 /nfs/dbraw/zinc/50/73/57/950507357.db2.gz HZBKNBKUEUMZIG-ZIAGYGMSSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574509495 950512708 /nfs/dbraw/zinc/51/27/08/950512708.db2.gz VNXKKNCKSXIFEK-KFWWJZLASA-N 1 0 380.456 1.443 20 0 GDADRO CC(C)CCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574168569 950517551 /nfs/dbraw/zinc/51/75/51/950517551.db2.gz YYUZMWWGUKDAMW-AWEZNQCLSA-N 1 0 378.452 1.351 20 0 GDADRO C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576205502 950524464 /nfs/dbraw/zinc/52/44/64/950524464.db2.gz ZGANEUVGAHSJOB-CHWSQXEVSA-N 1 0 390.467 1.438 20 0 GDADRO C[C@H](CC(=O)NCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001574509733 950526319 /nfs/dbraw/zinc/52/63/19/950526319.db2.gz WMKXRYMUACLSST-CQSZACIVSA-N 1 0 382.472 1.342 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575915845 950526826 /nfs/dbraw/zinc/52/68/26/950526826.db2.gz XQEULMJBQUMYKZ-BBRMVZONSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cccc(Cl)c1F ZINC001574996684 950531370 /nfs/dbraw/zinc/53/13/70/950531370.db2.gz OIYIQPKIDOIZJS-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN2c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001576205894 950544370 /nfs/dbraw/zinc/54/43/70/950544370.db2.gz QZLQFCQJUQYOFG-KGLIPLIRSA-N 1 0 387.463 1.433 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574998889 950562014 /nfs/dbraw/zinc/56/20/14/950562014.db2.gz CAZHWZMYHCRFHS-QMMMGPOBSA-N 1 0 377.359 1.177 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)on1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574999782 950588447 /nfs/dbraw/zinc/58/84/47/950588447.db2.gz NNYAWKBMEWZUPU-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1ncccc1-c1nn[nH]n1 ZINC001576207636 950598067 /nfs/dbraw/zinc/59/80/67/950598067.db2.gz HZSLDERFAFCTRE-GOEBONIOSA-N 1 0 386.504 1.546 20 0 GDADRO CC(C)CCC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574173893 950608695 /nfs/dbraw/zinc/60/86/95/950608695.db2.gz ORVDFZRMCRZCTR-HXUWFJFHSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@@H](CNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576209218 950626834 /nfs/dbraw/zinc/62/68/34/950626834.db2.gz ZBBMWIOGYLKKJV-BDAKNGLRSA-N 1 0 384.897 1.235 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCc1cccnc1 ZINC001575921357 950635321 /nfs/dbraw/zinc/63/53/21/950635321.db2.gz NNBBVUCFSVCNKW-WMLDXEAASA-N 1 0 392.467 1.503 20 0 GDADRO CC1(C)C2CCC1(C(=O)N1CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C1)CC2 ZINC001575622599 950638616 /nfs/dbraw/zinc/63/86/16/950638616.db2.gz DONVZBXWRBXGET-LQZXRHCMSA-N 1 0 381.484 1.913 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccn1 ZINC001574518694 950655681 /nfs/dbraw/zinc/65/56/81/950655681.db2.gz PSMKAGFBEQLBPL-WKCGWZECSA-N 1 0 392.467 1.261 20 0 GDADRO C[C@H](CN(C)C(=O)c1cn2c(n1)CCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574761026 950691770 /nfs/dbraw/zinc/69/17/70/950691770.db2.gz QJQIFXKRGUBDFB-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO CC(C)n1cnc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC001574761189 950695851 /nfs/dbraw/zinc/69/58/51/950695851.db2.gz SGEHWRSRWPMYMZ-LBPRGKRZSA-N 1 0 388.501 1.956 20 0 GDADRO CC(C)n1cnc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001574761689 950699450 /nfs/dbraw/zinc/69/94/50/950699450.db2.gz VJOKHPUVEPZAQL-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(C)F)C[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576215747 950710622 /nfs/dbraw/zinc/71/06/22/950710622.db2.gz BKXOHAMKIMUNJD-WCQYABFASA-N 1 0 378.427 1.938 20 0 GDADRO C[C@H](CN(C)C(=O)c1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574763672 950727210 /nfs/dbraw/zinc/72/72/10/950727210.db2.gz HXBHIOVRIUWPOM-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H]1[C@@H](O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC001576216363 950731028 /nfs/dbraw/zinc/73/10/28/950731028.db2.gz HXUIIJCZQOYSBF-GVXVVHGQSA-N 1 0 390.513 1.837 20 0 GDADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)n1C ZINC001576216464 950737115 /nfs/dbraw/zinc/73/71/15/950737115.db2.gz ZRRALMNHPDVWTA-HOCLYGCPSA-N 1 0 379.468 1.846 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576216677 950741921 /nfs/dbraw/zinc/74/19/21/950741921.db2.gz FEXSYVQRDJFDHD-NWDGAFQWSA-N 1 0 391.426 1.625 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COCC1CCCC1 ZINC001575927336 950743088 /nfs/dbraw/zinc/74/30/88/950743088.db2.gz PGTSFBHDTSBEDC-CZUORRHYSA-N 1 0 385.472 1.292 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnns1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574764204 950747610 /nfs/dbraw/zinc/74/76/10/950747610.db2.gz RDXAMMLSARVSRL-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO CC(C)OCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574520865 950755806 /nfs/dbraw/zinc/75/58/06/950755806.db2.gz APCQLQPURAMPHJ-OLZOCXBDSA-N 1 0 378.452 1.804 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cscn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574521236 950770813 /nfs/dbraw/zinc/77/08/13/950770813.db2.gz DNOOGDQJDSUGHP-OLZOCXBDSA-N 1 0 385.497 1.939 20 0 GDADRO CC1(C)CC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(F)c(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001575631038 950771227 /nfs/dbraw/zinc/77/12/27/950771227.db2.gz ITOSLZZYSFZAFS-QLPKVWCKSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574764989 950771286 /nfs/dbraw/zinc/77/12/86/950771286.db2.gz BGGFSHQKKKUOGU-LBPRGKRZSA-N 1 0 380.456 1.329 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575928088 950771960 /nfs/dbraw/zinc/77/19/60/950771960.db2.gz YLBFHFLXZIUZPC-ZWNOBZJWSA-N 1 0 380.412 1.264 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccn(C)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574521317 950773907 /nfs/dbraw/zinc/77/39/07/950773907.db2.gz FKMHUDPLCYKLEA-KGLIPLIRSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cscn1 ZINC001574521342 950776164 /nfs/dbraw/zinc/77/61/64/950776164.db2.gz FOMHNJUQPQHEAO-QWHCGFSZSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccon1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574521510 950781246 /nfs/dbraw/zinc/78/12/46/950781246.db2.gz GLGUFTOERJVIEM-NEPJUHHUSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574521792 950782892 /nfs/dbraw/zinc/78/28/92/950782892.db2.gz HSYJNYDFWOWUDR-CABCVRRESA-N 1 0 379.468 1.877 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ncc[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574522811 950796521 /nfs/dbraw/zinc/79/65/21/950796521.db2.gz LCXYSUIBANLAMK-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCc1cn[nH]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574522822 950797307 /nfs/dbraw/zinc/79/73/07/950797307.db2.gz LDOUTFVPUVYKCO-KGLIPLIRSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cn1cccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574522912 950804914 /nfs/dbraw/zinc/80/49/14/950804914.db2.gz LUTXYBWQHVPMDT-OLZOCXBDSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](CN(C)C(=O)c1ocnc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574766269 950813411 /nfs/dbraw/zinc/81/34/11/950813411.db2.gz HONAYYQATOOXDT-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574766813 950823013 /nfs/dbraw/zinc/82/30/13/950823013.db2.gz MRUDCRCHERWXBY-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CN(C)C(=O)c1n[nH]cc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574766898 950835713 /nfs/dbraw/zinc/83/57/13/950835713.db2.gz OASSLKYUHPZEDQ-SECBINFHSA-N 1 0 376.371 1.118 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C1CCOCC1 ZINC001574523868 950837046 /nfs/dbraw/zinc/83/70/46/950837046.db2.gz RNVJBUXKCMKPSN-CHWSQXEVSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574527490 950893273 /nfs/dbraw/zinc/89/32/73/950893273.db2.gz CJWHZIBJQZMXRU-RYUDHWBXSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@H](CN(C)C(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574768604 950896207 /nfs/dbraw/zinc/89/62/07/950896207.db2.gz ZUNSNIMKXKVTAS-GFCCVEGCSA-N 1 0 380.456 1.329 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574528011 950919241 /nfs/dbraw/zinc/91/92/41/950919241.db2.gz JTJFDBJXTLYEMC-VXGBXAGGSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576228017 950929351 /nfs/dbraw/zinc/92/93/51/950929351.db2.gz ICAGFKXIIAOQON-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574528463 950930778 /nfs/dbraw/zinc/93/07/78/950930778.db2.gz MOXWXBNLBKCOBR-RYUDHWBXSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cccc(=O)[nH]1 ZINC001574528407 950933866 /nfs/dbraw/zinc/93/38/66/950933866.db2.gz MLSOHGQCXOZAIX-QWHCGFSZSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCCO1 ZINC001574771988 950951716 /nfs/dbraw/zinc/95/17/16/950951716.db2.gz ODPVMDMSZGEZAL-XJKSGUPXSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(F)ccc1Cl ZINC001575017038 950971132 /nfs/dbraw/zinc/97/11/32/950971132.db2.gz GJRMOGVQJVVRKG-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(C(F)F)o1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575017311 950986647 /nfs/dbraw/zinc/98/66/47/950986647.db2.gz CZKCLICIWJWEMV-SECBINFHSA-N 1 0 377.355 1.692 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cccnn1 ZINC001574530543 950987650 /nfs/dbraw/zinc/98/76/50/950987650.db2.gz VNDUFRPHJATZEE-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001575938757 950990533 /nfs/dbraw/zinc/99/05/33/950990533.db2.gz NCNDNFYSHKRUIB-KBPBESRZSA-N 1 0 387.488 1.395 20 0 GDADRO CC(C)CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574195463 950991442 /nfs/dbraw/zinc/99/14/42/950991442.db2.gz PHQNQDMBEDEFMY-OAHLLOKOSA-N 1 0 389.504 1.530 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cccc(=O)[nH]1 ZINC001574530786 950995262 /nfs/dbraw/zinc/99/52/62/950995262.db2.gz XEBPMQPWTFFJAF-CHWSQXEVSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574773953 950995961 /nfs/dbraw/zinc/99/59/61/950995961.db2.gz AASDPRAUTQUIIZ-DJJJIMSYSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CO1 ZINC001575939118 951004862 /nfs/dbraw/zinc/00/48/62/951004862.db2.gz PAYKTEXRBJZNKH-PBHICJAKSA-N 1 0 384.484 1.715 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575018704 951025881 /nfs/dbraw/zinc/02/58/81/951025881.db2.gz OVZRESRKHUGHBL-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575024097 951090399 /nfs/dbraw/zinc/09/03/99/951090399.db2.gz USWLFDWPMYKRKO-SECBINFHSA-N 1 0 375.795 1.707 20 0 GDADRO C[C@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025138 951125394 /nfs/dbraw/zinc/12/53/94/951125394.db2.gz VVKGIVJVVBKMCD-ZDUSSCGKSA-N 1 0 380.456 1.228 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1OCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575027324 951155320 /nfs/dbraw/zinc/15/53/20/951155320.db2.gz DZDGWBMSUJBZSW-ZDUSSCGKSA-N 1 0 378.436 1.710 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2n[nH]cc21)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575027986 951165054 /nfs/dbraw/zinc/16/50/54/951165054.db2.gz KJGYHJACQZBDJS-JTQLQIEISA-N 1 0 382.453 1.713 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1OCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575028204 951169859 /nfs/dbraw/zinc/16/98/59/951169859.db2.gz MDCISCJZEZMTHZ-LBPRGKRZSA-N 1 0 379.424 1.451 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001575037580 951308164 /nfs/dbraw/zinc/30/81/64/951308164.db2.gz AULATNBYWQQUMI-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575042640 951367278 /nfs/dbraw/zinc/36/72/78/951367278.db2.gz ASVOOPNQZYCRPN-NSHDSACASA-N 1 0 381.444 1.002 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCC2)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575042787 951371802 /nfs/dbraw/zinc/37/18/02/951371802.db2.gz BVAZIVSPYAIOQF-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2[nH]ccc2c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575043636 951400840 /nfs/dbraw/zinc/40/08/40/951400840.db2.gz KZCNHCLSEBPKIJ-LBPRGKRZSA-N 1 0 376.424 1.603 20 0 GDADRO C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575045040 951423295 /nfs/dbraw/zinc/42/32/95/951423295.db2.gz ZICWDERYYFURGI-ZDUSSCGKSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)c1cncnc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575046803 951448128 /nfs/dbraw/zinc/44/81/28/951448128.db2.gz SVFCNSDMWCZPNY-GFCCVEGCSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@@H](CNC(=O)c1csnn1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575060845 951549574 /nfs/dbraw/zinc/54/95/74/951549574.db2.gz IAXCCUAHBLVDTB-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575061187 951556461 /nfs/dbraw/zinc/55/64/61/951556461.db2.gz LGMRXUZKKLHUND-LBPRGKRZSA-N 1 0 380.456 1.329 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575062127 951565277 /nfs/dbraw/zinc/56/52/77/951565277.db2.gz UFXZYSXOWYZYQF-LBPRGKRZSA-N 1 0 380.456 1.377 20 0 GDADRO C[C@H](CNC(=O)c1ncc(Cl)s1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575062794 951571687 /nfs/dbraw/zinc/57/16/87/951571687.db2.gz YMZSRJFOLZSIFO-MRVPVSSYSA-N 1 0 378.849 1.626 20 0 GDADRO C[C@H](CNC(=O)c1nccc2occc21)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575065986 951592458 /nfs/dbraw/zinc/59/24/58/951592458.db2.gz CWLJPPQCHOHRNT-SNVBAGLBSA-N 1 0 383.437 1.978 20 0 GDADRO C[C@@H](CNC(=O)c1ncsc1C1CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067232 951607025 /nfs/dbraw/zinc/60/70/25/951607025.db2.gz OUSZJHFRLZBEMW-JTQLQIEISA-N 1 0 384.469 1.850 20 0 GDADRO C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067393 951610674 /nfs/dbraw/zinc/61/06/74/951610674.db2.gz LKETZWIDAVCRKM-LBPRGKRZSA-N 1 0 383.460 1.121 20 0 GDADRO C[C@@H](C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CCOCC1)CN1CCOCC1 ZINC001575070185 951648120 /nfs/dbraw/zinc/64/81/20/951648120.db2.gz OYJRDNSLWUOJQO-INIZCTEOSA-N 1 0 386.500 1.430 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)n1cccc1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077002 951659240 /nfs/dbraw/zinc/65/92/40/951659240.db2.gz AIAWYQPMYNGYME-UONOGXRCSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)n1cccn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077231 951664001 /nfs/dbraw/zinc/66/40/01/951664001.db2.gz AYPNWAKBGJHEQJ-OLZOCXBDSA-N 1 0 386.435 1.305 20 0 GDADRO C[C@H](CNC(=O)c1ccncc1F)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077617 951672403 /nfs/dbraw/zinc/67/24/03/951672403.db2.gz HEPBWZDHNVOPBV-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077642 951672928 /nfs/dbraw/zinc/67/29/28/951672928.db2.gz HONMHICCYILLTJ-KBPBESRZSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)Cc1cscn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078256 951678990 /nfs/dbraw/zinc/67/89/90/951678990.db2.gz KPCRRYSCBVDBJO-LLVKDONJSA-N 1 0 389.460 1.547 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1CCC(O)CC1 ZINC001575078508 951682934 /nfs/dbraw/zinc/68/29/34/951682934.db2.gz MSRCFXPAHXXVBN-VEAWUBTESA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575079313 951690909 /nfs/dbraw/zinc/69/09/09/951690909.db2.gz CSGGQUWZWOBOBH-HXPMCKFVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575079523 951692914 /nfs/dbraw/zinc/69/29/14/951692914.db2.gz QKMYKGGGZXMTJJ-HXPMCKFVSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)COCC1CC1 ZINC001575079827 951697672 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BJTIYGYWIYFKJY-JTQLQIEISA-N 1 0 385.457 1.154 20 0 GDADRO C[C@@H](CNC(=O)C[C@](C)(O)C1CC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101357 951857367 /nfs/dbraw/zinc/85/73/67/951857367.db2.gz CEDYRTWDKWWQPV-BLVKFPJESA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](CNC(=O)[C@]1(C)CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101414 951860700 /nfs/dbraw/zinc/86/07/00/951860700.db2.gz DYWDRUREYNJWHH-KZULUSFZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)Cc1ncccc1F ZINC001575101532 951862071 /nfs/dbraw/zinc/86/20/71/951862071.db2.gz GTOKNTIGTOZFJY-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](CNC(=O)CCc1ccon1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101751 951865164 /nfs/dbraw/zinc/86/51/64/951865164.db2.gz JGECCXLLLSRLHO-LBPRGKRZSA-N 1 0 387.419 1.469 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101998 951865911 /nfs/dbraw/zinc/86/59/11/951865911.db2.gz KGYOVEFKCZJHOW-CYBMUJFWSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103023 951874384 /nfs/dbraw/zinc/87/43/84/951874384.db2.gz QZARSQQXAMPLRM-TZMCWYRMSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575104104 951880801 /nfs/dbraw/zinc/88/08/01/951880801.db2.gz BLRQPWHGWIRVAI-FQEVSTJZSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1ccns1 ZINC001575104870 951890475 /nfs/dbraw/zinc/89/04/75/951890475.db2.gz FTXHAPCPJOTQGO-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1ccsn1 ZINC001575105168 951890766 /nfs/dbraw/zinc/89/07/66/951890766.db2.gz HKRJHPHWJLWNSI-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575107094 951913741 /nfs/dbraw/zinc/91/37/41/951913741.db2.gz YPIJJLUZUZJEEM-YOEHRIQHSA-N 1 0 376.411 1.896 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)COc1ccsc1 ZINC001575107679 951920941 /nfs/dbraw/zinc/92/09/41/951920941.db2.gz HQGXBYUFPNJOGZ-ZDUSSCGKSA-N 1 0 386.481 1.944 20 0 GDADRO C[C@@H](CNC(=O)c1nn(C)cc1Cl)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109234 951927731 /nfs/dbraw/zinc/92/77/31/951927731.db2.gz QCJVAMNMLINZAZ-LLVKDONJSA-N 1 0 388.863 1.409 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575109725 951933541 /nfs/dbraw/zinc/93/35/41/951933541.db2.gz UGDIGGISWGUYOL-KSSFIOAISA-N 1 0 391.479 1.928 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110257 951938047 /nfs/dbraw/zinc/93/80/47/951938047.db2.gz YVXWLYKMSYFFLS-DAXOMENPSA-N 1 0 380.456 1.235 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110289 951939134 /nfs/dbraw/zinc/93/91/34/951939134.db2.gz ZEEWHPNWXCXGLZ-ZDUSSCGKSA-N 1 0 380.456 1.165 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114056 951953263 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XAHBRYLTRYOEES-ZDUSSCGKSA-N 1 0 380.456 1.315 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575145499 952185740 /nfs/dbraw/zinc/18/57/40/952185740.db2.gz YSEZNFSIMNXGMR-IBGZPJMESA-N 1 0 380.456 1.272 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575145622 952187726 /nfs/dbraw/zinc/18/77/26/952187726.db2.gz BGJSIMPIXMSJDM-NSHDSACASA-N 1 0 383.460 1.277 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575146618 952195418 /nfs/dbraw/zinc/19/54/18/952195418.db2.gz MHPSFANOTGGUFJ-MRVPVSSYSA-N 1 0 378.849 1.366 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001575147451 952199761 /nfs/dbraw/zinc/19/97/61/952199761.db2.gz UDCDKCWNTFGRGV-KWCYVHTRSA-N 1 0 383.481 1.808 20 0 GDADRO C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575158465 952271844 /nfs/dbraw/zinc/27/18/44/952271844.db2.gz VQWLABILGDQBOO-AWEZNQCLSA-N 1 0 387.492 1.182 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575165923 952316838 /nfs/dbraw/zinc/31/68/38/952316838.db2.gz RFGKSNNNYRCNBZ-GXFFZTMASA-N 1 0 378.868 1.268 20 0 GDADRO O=C([C@H]1CC1(F)F)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571115026 952463209 /nfs/dbraw/zinc/46/32/09/952463209.db2.gz QHWXKDNKDDKRFA-MLGOLLRUSA-N 1 0 375.383 1.346 20 0 GDADRO C[NH+]1CCC(CNc2cc(F)ccc2-c2nn[nH]n2)(N2CCOCC2)CC1 ZINC001571118345 952487159 /nfs/dbraw/zinc/48/71/59/952487159.db2.gz VPQRMWOSASFCED-UHFFFAOYSA-N 1 0 375.452 1.214 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001575200723 952498261 /nfs/dbraw/zinc/49/82/61/952498261.db2.gz LASYGCCNPRDALR-VXGBXAGGSA-N 1 0 386.435 1.202 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575202268 952511283 /nfs/dbraw/zinc/51/12/83/952511283.db2.gz UZXQCGVENKTPCB-WQVCFCJDSA-N 1 0 380.456 1.205 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575203431 952522715 /nfs/dbraw/zinc/52/27/15/952522715.db2.gz WTMYLVTYBAWAFK-UKRRQHHQSA-N 1 0 380.456 1.159 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571123075 952527644 /nfs/dbraw/zinc/52/76/44/952527644.db2.gz NPXLIHKVESNWML-LDYMZIIASA-N 1 0 376.471 1.030 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001571124031 952533897 /nfs/dbraw/zinc/53/38/97/952533897.db2.gz XRTKJGLPRXXYTF-PRXAMGSTSA-N 1 0 376.486 1.339 20 0 GDADRO O=C(NC[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571127250 952552986 /nfs/dbraw/zinc/55/29/86/952552986.db2.gz CBGUCMDMNMXWDR-RRGWEWPQSA-N 1 0 377.452 1.960 20 0 GDADRO Cc1nc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1-c1nn[nH]n1 ZINC001571127876 952560604 /nfs/dbraw/zinc/56/06/04/952560604.db2.gz LJDIVEUNRXHLEZ-WBVHZDCISA-N 1 0 377.452 1.645 20 0 GDADRO O=C(NCC1C[NH+](Cc2ccccc2C2CC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571128641 952570037 /nfs/dbraw/zinc/57/00/37/952570037.db2.gz VXKBUVJKTKSBTL-UHFFFAOYSA-N 1 0 377.452 1.934 20 0 GDADRO Cc1ccnc(C(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)n1 ZINC001571134688 952593747 /nfs/dbraw/zinc/59/37/47/952593747.db2.gz LYTIEUBIBMZRPS-BBRMVZONSA-N 1 0 378.440 1.358 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)c1cc[nH]c(=O)c1 ZINC001571140402 952626003 /nfs/dbraw/zinc/62/60/03/952626003.db2.gz CCHOBAAYLKHUNI-MLGOLLRUSA-N 1 0 379.424 1.360 20 0 GDADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1)c1ncc[nH]1 ZINC001571140989 952629354 /nfs/dbraw/zinc/62/93/54/952629354.db2.gz DSKINSUXXBYTFI-MQVJKMGUSA-N 1 0 378.440 1.515 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccc(=O)[nH]1 ZINC001571141180 952631653 /nfs/dbraw/zinc/63/16/53/952631653.db2.gz IDFWVSJGUPEJDY-HNNXBMFYSA-N 1 0 379.424 1.362 20 0 GDADRO Cc1cc(N2CCC[C@@H]2CNC(=O)c2ccccc2O)c(-c2nn[nH]n2)c[nH+]1 ZINC001571141301 952632455 /nfs/dbraw/zinc/63/24/55/952632455.db2.gz JZLPOKLDZDSOLM-CYBMUJFWSA-N 1 0 379.424 1.675 20 0 GDADRO O=C(c1cncnc1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571141522 952633502 /nfs/dbraw/zinc/63/35/02/952633502.db2.gz HWKWKVBSLLGDQH-QGZVFWFLSA-N 1 0 378.440 1.441 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1ccncn1 ZINC001571142320 952640011 /nfs/dbraw/zinc/64/00/11/952640011.db2.gz OYRSJPONRXHYIQ-HUUCEWRRSA-N 1 0 378.440 1.488 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccncn1 ZINC001571142340 952640857 /nfs/dbraw/zinc/64/08/57/952640857.db2.gz PRAWUXASDAWSKX-CVEARBPZSA-N 1 0 378.440 1.345 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(-c3nn[nH]n3)c2Br)C1 ZINC001571142535 952642824 /nfs/dbraw/zinc/64/28/24/952642824.db2.gz UEWFXCYQDVTECT-JTQLQIEISA-N 1 0 379.262 1.653 20 0 GDADRO O=C(Nc1n[nH]c(-c2cccc(-c3nn[nH]n3)c2)n1)C1CC[NH+](C2CC2)CC1 ZINC001571146113 952648156 /nfs/dbraw/zinc/64/81/56/952648156.db2.gz CULZDDRABNUENJ-UHFFFAOYSA-N 1 0 379.428 1.465 20 0 GDADRO CCn1cccc1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571151566 952675387 /nfs/dbraw/zinc/67/53/87/952675387.db2.gz QTOLPGXJZZLFIH-INIZCTEOSA-N 1 0 379.468 1.940 20 0 GDADRO O=C(c1cocn1)N1CCC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC[C@@H]21 ZINC001571162476 952744263 /nfs/dbraw/zinc/74/42/63/952744263.db2.gz VDWMZBRQFMITPE-WFASDCNBSA-N 1 0 380.412 1.381 20 0 GDADRO CC(C)n1nccc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571165344 952749330 /nfs/dbraw/zinc/74/93/30/952749330.db2.gz BTUZUYZBGZIGEJ-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)c2cnn(C)c2)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571165929 952755867 /nfs/dbraw/zinc/75/58/67/952755867.db2.gz JAUJIVKQTLNLRE-GUYCJALGSA-N 1 0 380.456 1.383 20 0 GDADRO CCc1nc[nH]c1C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571165860 952756317 /nfs/dbraw/zinc/75/63/17/952756317.db2.gz HXEAZKXEXPKHOL-IUODEOHRSA-N 1 0 380.456 1.545 20 0 GDADRO O=C(Cc1cccc(F)c1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571166284 952759392 /nfs/dbraw/zinc/75/93/92/952759392.db2.gz LGZFJFSKVLKACJ-SFHVURJKSA-N 1 0 380.427 1.939 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571166251 952759933 /nfs/dbraw/zinc/75/99/33/952759933.db2.gz KQIDESSVBDLYDQ-OAHLLOKOSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571166250 952760132 /nfs/dbraw/zinc/76/01/32/952760132.db2.gz KQIDESSVBDLYDQ-HNNXBMFYSA-N 1 0 380.456 1.648 20 0 GDADRO CCc1nc[nH]c1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571166531 952763235 /nfs/dbraw/zinc/76/32/35/952763235.db2.gz MRWMGMYWFQSLMW-BLLLJJGKSA-N 1 0 380.456 1.403 20 0 GDADRO C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1C[NH2+]Cc1cccnc1 ZINC001571166925 952767541 /nfs/dbraw/zinc/76/75/41/952767541.db2.gz RTIDWJXLJUAHRK-HIFRSBDPSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571167082 952769829 /nfs/dbraw/zinc/76/98/29/952769829.db2.gz VDGMCHPMYVLPOF-CXAGYDPISA-N 1 0 380.456 1.375 20 0 GDADRO Cc1cccnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571169399 952773077 /nfs/dbraw/zinc/77/30/77/952773077.db2.gz BLJAHWZVAVAWET-ZFWWWQNUSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1C ZINC001571169416 952773892 /nfs/dbraw/zinc/77/38/92/952773892.db2.gz BZLGFLDKAYETTP-KGLIPLIRSA-N 1 0 380.456 1.293 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@H](C)C2)[nH]n1 ZINC001571169768 952777905 /nfs/dbraw/zinc/77/79/05/952777905.db2.gz MMCMCSHLBHZZDN-MLGOLLRUSA-N 1 0 380.456 1.396 20 0 GDADRO CCn1cccc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001571169926 952780758 /nfs/dbraw/zinc/78/07/58/952780758.db2.gz QXHRVVABOACJTK-DZGCQCFKSA-N 1 0 380.456 1.529 20 0 GDADRO CCn1cnc(C(=O)N2CC[C@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571169913 952780772 /nfs/dbraw/zinc/78/07/72/952780772.db2.gz QIGIKDCNIZUMKT-INIZCTEOSA-N 1 0 380.456 1.430 20 0 GDADRO Cc1nc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c[nH]1 ZINC001571170460 952785522 /nfs/dbraw/zinc/78/55/22/952785522.db2.gz VCLPOLPQCYRUFA-MRXNPFEDSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1nc(C)c(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)[nH]1 ZINC001571170446 952786359 /nfs/dbraw/zinc/78/63/59/952786359.db2.gz UQBOQPMESRMJFD-MEDUHNTESA-N 1 0 380.456 1.599 20 0 GDADRO Cc1nc[nH]c1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170509 952787427 /nfs/dbraw/zinc/78/74/27/952787427.db2.gz VQIAFHSWHJQBAC-OAHLLOKOSA-N 1 0 380.456 1.222 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571170599 952787514 /nfs/dbraw/zinc/78/75/14/952787514.db2.gz XEXBTVRNIPRAEQ-MLGOLLRUSA-N 1 0 380.456 1.681 20 0 GDADRO O=C(Cc1c[nH]cn1)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571171772 952797066 /nfs/dbraw/zinc/79/70/66/952797066.db2.gz GHBYWRLPSCWMAG-RDJZCZTQSA-N 1 0 380.456 1.207 20 0 GDADRO Cc1ncccc1C[N@H+]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1C ZINC001571172075 952801490 /nfs/dbraw/zinc/80/14/90/952801490.db2.gz LONUUCBYVOJIII-MLGOLLRUSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1nccn1CC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172214 952803754 /nfs/dbraw/zinc/80/37/54/952803754.db2.gz PHYKBEGZUFSHIH-UHFFFAOYSA-N 1 0 380.456 1.056 20 0 GDADRO O=C(Cc1ncc[nH]1)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571172218 952803883 /nfs/dbraw/zinc/80/38/83/952803883.db2.gz PMOXKXLTFJACJD-WKILWMFISA-N 1 0 380.456 1.350 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(CO)cc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571179221 952850669 /nfs/dbraw/zinc/85/06/69/952850669.db2.gz ADOGUSQRULPWSH-HNNXBMFYSA-N 1 0 381.440 1.082 20 0 GDADRO Cc1cc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)no1 ZINC001571179489 952853571 /nfs/dbraw/zinc/85/35/71/952853571.db2.gz FCNDXVXWUQYJGK-DYVFJYSZSA-N 1 0 381.440 1.485 20 0 GDADRO Cc1ocnc1C(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571179921 952856892 /nfs/dbraw/zinc/85/68/92/952856892.db2.gz KHBJPNPDFRIPDG-DOMZBBRYSA-N 1 0 381.440 1.804 20 0 GDADRO Cc1nocc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571180617 952861288 /nfs/dbraw/zinc/86/12/88/952861288.db2.gz RAJYGBODNNAKMT-DOMZBBRYSA-N 1 0 381.440 1.946 20 0 GDADRO COc1cc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)ccc1C ZINC001571182734 952868167 /nfs/dbraw/zinc/86/81/67/952868167.db2.gz CXOZLPRVAAAENK-HNNXBMFYSA-N 1 0 381.440 1.516 20 0 GDADRO O=C(c1ccccn1)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571183117 952872846 /nfs/dbraw/zinc/87/28/46/952872846.db2.gz PAJWOUYIMXFXJR-AWEZNQCLSA-N 1 0 381.415 1.795 20 0 GDADRO COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571183146 952873751 /nfs/dbraw/zinc/87/37/51/952873751.db2.gz QAILRWVLRVZKLD-HNNXBMFYSA-N 1 0 381.440 1.550 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001571183194 952874713 /nfs/dbraw/zinc/87/47/13/952874713.db2.gz SDAXOZDNBBSWHT-UHFFFAOYSA-N 1 0 381.415 1.699 20 0 GDADRO O=C(Cc1cccc(F)c1)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571183236 952875013 /nfs/dbraw/zinc/87/50/13/952875013.db2.gz UBJLAICJRICEMA-CQSZACIVSA-N 1 0 381.415 1.326 20 0 GDADRO CCc1oncc1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC001571183276 952875551 /nfs/dbraw/zinc/87/55/51/952875551.db2.gz VDKIJXHSHOLLTO-OCCSQVGLSA-N 1 0 381.440 1.810 20 0 GDADRO CCc1ocnc1C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571183380 952877547 /nfs/dbraw/zinc/87/75/47/952877547.db2.gz ZAJAUSXSDWPJOQ-IUODEOHRSA-N 1 0 381.440 1.810 20 0 GDADRO C[C@@H](NC(=O)c1cn(C)cn1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571184847 952898102 /nfs/dbraw/zinc/89/81/02/952898102.db2.gz FJJGERMYEBPJJE-GFCCVEGCSA-N 1 0 381.444 1.030 20 0 GDADRO Cc1[nH]nc(C(=O)N2CC[C@@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)c1C ZINC001571185583 952902378 /nfs/dbraw/zinc/90/23/78/952902378.db2.gz NLAUPZKDQZMDBA-ZDUSSCGKSA-N 1 0 381.444 1.200 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCC[C@@H](C)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571186825 952909425 /nfs/dbraw/zinc/90/94/25/952909425.db2.gz ZZSTXLIERPHSBT-IAQYHMDHSA-N 1 0 381.444 1.068 20 0 GDADRO Cc1n[nH]cc1C(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571188390 952914877 /nfs/dbraw/zinc/91/48/77/952914877.db2.gz KDJWJGOTMQFOOC-QWHCGFSZSA-N 1 0 381.444 1.034 20 0 GDADRO O=C(c1ccsn1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001571189411 952929499 /nfs/dbraw/zinc/92/94/99/952929499.db2.gz RBUFRHGDYXWGJM-GASCZTMLSA-N 1 0 381.465 1.527 20 0 GDADRO Cc1c[nH]c(C(=O)NC2CCC(Nc3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001571189558 952931053 /nfs/dbraw/zinc/93/10/53/952931053.db2.gz XJQTWURVHJOSQE-UHFFFAOYSA-N 1 0 381.444 1.177 20 0 GDADRO Cc1[nH]nc(C(=O)N[C@]2(C)CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1C ZINC001571189505 952931236 /nfs/dbraw/zinc/93/12/36/952931236.db2.gz WJUSZJCJTKPLSU-GOSISDBHSA-N 1 0 381.444 1.309 20 0 GDADRO CC[C@H]1CN(C(=O)C(F)F)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571194175 952958512 /nfs/dbraw/zinc/95/85/12/952958512.db2.gz JQFNNLIBQDZIGF-SMDDNHRTSA-N 1 0 382.390 1.988 20 0 GDADRO Cc1nnccc1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571196094 952980461 /nfs/dbraw/zinc/98/04/61/952980461.db2.gz HHPNMWPJZJSHEP-CQSZACIVSA-N 1 0 382.403 1.109 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571197241 952987667 /nfs/dbraw/zinc/98/76/67/952987667.db2.gz UWCCIJDCUCEFLS-ZDUSSCGKSA-N 1 0 382.403 1.142 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CN1C(=O)c1cncnc1 ZINC001571197351 952988231 /nfs/dbraw/zinc/98/82/31/952988231.db2.gz XSIALIASVQEVIK-BXUZGUMPSA-N 1 0 382.403 1.189 20 0 GDADRO CCc1cc(C(=O)NC[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001571199411 952999256 /nfs/dbraw/zinc/99/92/56/952999256.db2.gz QALCDALYWLCSQQ-TXEJJXNPSA-N 1 0 382.428 1.163 20 0 GDADRO CC1(C)CN(c2cc[nH+]cc2-c2nn[nH]n2)CC[C@@H]1NC(=O)Cc1ccon1 ZINC001571199757 953004010 /nfs/dbraw/zinc/00/40/10/953004010.db2.gz BJQJDHDJDYZMCG-HNNXBMFYSA-N 1 0 382.428 1.214 20 0 GDADRO Cc1conc1C(=O)N1CC[C@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571201343 953015955 /nfs/dbraw/zinc/01/59/55/953015955.db2.gz KGLUGCMWRJIVGO-WCQYABFASA-N 1 0 382.428 1.190 20 0 GDADRO O=C(c1cccnn1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571202489 953027064 /nfs/dbraw/zinc/02/70/64/953027064.db2.gz YZNQVMOQBIBWSR-ZDUSSCGKSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1nocc1C(=O)N1CCCC[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571206339 953050136 /nfs/dbraw/zinc/05/01/36/953050136.db2.gz OOUXDMCSKSFKLJ-ZDUSSCGKSA-N 1 0 382.428 1.477 20 0 GDADRO Cc1nocc1C(=O)N1CCCC[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571206337 953050464 /nfs/dbraw/zinc/05/04/64/953050464.db2.gz OOUXDMCSKSFKLJ-CYBMUJFWSA-N 1 0 382.428 1.477 20 0 GDADRO O=C([C@H]1CC12CCOCC2)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571209850 953067445 /nfs/dbraw/zinc/06/74/45/953067445.db2.gz GRLJQOSDSYFHRM-IAGOWNOFSA-N 1 0 382.468 1.374 20 0 GDADRO O=C(C1=CCOCC1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571210388 953072217 /nfs/dbraw/zinc/07/22/17/953072217.db2.gz QFZAVKZZHRPKKP-GOSISDBHSA-N 1 0 382.468 1.684 20 0 GDADRO O=C([C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC001571214023 953098762 /nfs/dbraw/zinc/09/87/62/953098762.db2.gz VGTPZNWCXSVSLK-ZWKOTPCHSA-N 1 0 382.468 1.293 20 0 GDADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(F)(F)F)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571216673 953103216 /nfs/dbraw/zinc/10/32/16/953103216.db2.gz BHXPFLKDZAOYGC-FGWVZKOKSA-N 1 0 383.378 1.872 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC001571219196 953123344 /nfs/dbraw/zinc/12/33/44/953123344.db2.gz LTULSNZHUNJMII-CQSZACIVSA-N 1 0 383.412 1.176 20 0 GDADRO COCc1ccc(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571219231 953123969 /nfs/dbraw/zinc/12/39/69/953123969.db2.gz MWZRMGWMIIFZCU-HAQNSBGRSA-N 1 0 383.412 1.104 20 0 GDADRO COc1nc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571219926 953127823 /nfs/dbraw/zinc/12/78/23/953127823.db2.gz TXTWXNRIWZXCIW-AWEZNQCLSA-N 1 0 383.412 1.210 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ccn(C)c2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571230299 953175933 /nfs/dbraw/zinc/17/59/33/953175933.db2.gz UDJJDQHRPMVTIU-PXAZEXFGSA-N 1 0 383.431 1.737 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)C3=COCCC3)[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233372 953192312 /nfs/dbraw/zinc/19/23/12/953192312.db2.gz SZTYGCJBZYLTIH-HIFRSBDPSA-N 1 0 383.456 1.478 20 0 GDADRO O=C(Cc1ccc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001571234483 953202406 /nfs/dbraw/zinc/20/24/06/953202406.db2.gz ZOIUKSQJMDMGTP-SNPRPXQTSA-N 1 0 383.481 1.721 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]21)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571235308 953211298 /nfs/dbraw/zinc/21/12/98/953211298.db2.gz ZTYITSSTHGQBNB-FOLVSLTJSA-N 1 0 383.843 1.708 20 0 GDADRO CN(C(=O)c1cnn(C)c1)[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239173 953236409 /nfs/dbraw/zinc/23/64/09/953236409.db2.gz HFUUHJRDKPBAEV-HNNXBMFYSA-N 1 0 384.419 1.086 20 0 GDADRO CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)cn1 ZINC001571239669 953241155 /nfs/dbraw/zinc/24/11/55/953241155.db2.gz PKSATYWCSDHMCI-HNNXBMFYSA-N 1 0 384.419 1.227 20 0 GDADRO CCc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)[nH]n1 ZINC001571239677 953242371 /nfs/dbraw/zinc/24/23/71/953242371.db2.gz POQVJPKLFOYJIL-CQSZACIVSA-N 1 0 384.419 1.296 20 0 GDADRO Cc1c[nH]nc1C(=O)N1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1 ZINC001571239933 953244396 /nfs/dbraw/zinc/24/43/96/953244396.db2.gz VBNLPFNWDVNHMU-NHYWBVRUSA-N 1 0 384.419 1.288 20 0 GDADRO O=C(Cc1ccoc1)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571239987 953244601 /nfs/dbraw/zinc/24/46/01/953244601.db2.gz WQZNFAHGXOVSNI-INIZCTEOSA-N 1 0 384.415 1.922 20 0 GDADRO Cc1ccc(CC(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)o1 ZINC001571239998 953245405 /nfs/dbraw/zinc/24/54/05/953245405.db2.gz WZEKGUAIWGHXLZ-HNNXBMFYSA-N 1 0 384.415 1.840 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1)c1cn[nH]c1 ZINC001571241458 953246239 /nfs/dbraw/zinc/24/62/39/953246239.db2.gz ABHYBGLOVZAHPZ-OAHLLOKOSA-N 1 0 384.419 1.513 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C2=COCCO2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571241824 953250371 /nfs/dbraw/zinc/25/03/71/953250371.db2.gz MHWPNQHUIZEITB-CZUORRHYSA-N 1 0 384.440 1.224 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2cncc(F)c2)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571241965 953251312 /nfs/dbraw/zinc/25/13/12/953251312.db2.gz RDBLLYWGOGTJBI-UHFFFAOYSA-N 1 0 384.419 1.560 20 0 GDADRO CCc1noc(C)c1C[NH2+]CC1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571242872 953261203 /nfs/dbraw/zinc/26/12/03/953261203.db2.gz QDUSLBGFBDNGOW-UHFFFAOYSA-N 1 0 384.444 1.352 20 0 GDADRO C[NH+](C)CC1(C(=O)N2CC(Oc3ccc(-c4nn[nH]n4)cc3)C2)CCCCC1 ZINC001571247602 953284712 /nfs/dbraw/zinc/28/47/12/953284712.db2.gz AWLDOCULJMCHPC-UHFFFAOYSA-N 1 0 384.484 1.968 20 0 GDADRO C[C@H]1CN(C(=O)COC2CCCC2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571247817 953286601 /nfs/dbraw/zinc/28/66/01/953286601.db2.gz FOCFHNAWSOCHOG-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001571248017 953288900 /nfs/dbraw/zinc/28/89/00/953288900.db2.gz LKNNKWSXINPWKV-XJKSGUPXSA-N 1 0 384.484 1.860 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)C2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CO1 ZINC001571248156 953290767 /nfs/dbraw/zinc/29/07/67/953290767.db2.gz MKMVCYZSCUGZLK-HOCLYGCPSA-N 1 0 384.484 1.715 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC001571248298 953291919 /nfs/dbraw/zinc/29/19/19/953291919.db2.gz PUVJHIKBCXXIGB-MBOZVWFJSA-N 1 0 384.484 1.810 20 0 GDADRO COC1CC(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001571248426 953293344 /nfs/dbraw/zinc/29/33/44/953293344.db2.gz SXJUDQMRBSBGSH-GFHJVICUSA-N 1 0 384.484 1.809 20 0 GDADRO Cc1ncc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571248979 953299305 /nfs/dbraw/zinc/29/93/05/953299305.db2.gz NFXZBUGHZHCAOF-JSGCOSHPSA-N 1 0 384.444 1.570 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)CC1CCOCC1 ZINC001571249199 953302163 /nfs/dbraw/zinc/30/21/63/953302163.db2.gz FTCOSTLOKAAZNR-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[nH]n2)C1 ZINC001571249412 953304869 /nfs/dbraw/zinc/30/48/69/953304869.db2.gz INMNXNDHSMCVKA-HOCLYGCPSA-N 1 0 384.488 1.457 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCOCC1 ZINC001571250191 953309261 /nfs/dbraw/zinc/30/92/61/953309261.db2.gz ODWBNWGRDVGLNH-QZTJIDSGSA-N 1 0 384.484 1.810 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571250211 953309512 /nfs/dbraw/zinc/30/95/12/953309512.db2.gz OLBBZHNSPFAXSC-BMFZPTHFSA-N 1 0 384.488 1.395 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571250254 953309574 /nfs/dbraw/zinc/30/95/74/953309574.db2.gz PFOMTTSCDXTEDK-SJLPKXTDSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(CC[C@H]1CCOC1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571250215 953309731 /nfs/dbraw/zinc/30/97/31/953309731.db2.gz OLCBSZRSDIWJPA-RDJZCZTQSA-N 1 0 384.484 1.764 20 0 GDADRO CCC1(Nc2ccc(-c3nn[nH]n3)cn2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001571250871 953313790 /nfs/dbraw/zinc/31/37/90/953313790.db2.gz UOQRRMUVVNOLCM-OAHLLOKOSA-N 1 0 384.488 1.539 20 0 GDADRO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571251184 953315720 /nfs/dbraw/zinc/31/57/20/953315720.db2.gz RTLMQJHHEGHDNE-CYBMUJFWSA-N 1 0 384.444 1.584 20 0 GDADRO O=C(CC1CCCCC1)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001571251481 953317662 /nfs/dbraw/zinc/31/76/62/953317662.db2.gz YOTJQYREPLEKBF-MSOLQXFVSA-N 1 0 384.484 1.498 20 0 GDADRO CN(c1ccncc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001571251795 953319920 /nfs/dbraw/zinc/31/99/20/953319920.db2.gz ABJJGWDYCXNIQT-HUUCEWRRSA-N 1 0 384.488 1.031 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001571252240 953325274 /nfs/dbraw/zinc/32/52/74/953325274.db2.gz ILQNAYIWRJWYFO-OAHLLOKOSA-N 1 0 384.488 1.315 20 0 GDADRO CN(c1ccc(-c2nn[nH]n2)cn1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001571252739 953333196 /nfs/dbraw/zinc/33/31/96/953333196.db2.gz VJPRKNUVTWMTOF-INIZCTEOSA-N 1 0 384.488 1.031 20 0 GDADRO CCc1nc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)co1 ZINC001571254041 953336508 /nfs/dbraw/zinc/33/65/08/953336508.db2.gz CMYKLVRYQBNITC-GFCCVEGCSA-N 1 0 385.403 1.561 20 0 GDADRO O=C(c1ccncc1F)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571255057 953345272 /nfs/dbraw/zinc/34/52/72/953345272.db2.gz HCUPCBWRBNOUGD-ZDUSSCGKSA-N 1 0 385.378 1.544 20 0 GDADRO CC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN(C(=O)c2cocn2)CC1 ZINC001571255886 953358636 /nfs/dbraw/zinc/35/86/36/953358636.db2.gz VLFRBVUHLOQYQI-UHFFFAOYSA-N 1 0 385.403 1.778 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874409909 956183726 /nfs/dbraw/zinc/18/37/26/956183726.db2.gz CHZYWNHDHICVPT-KRWDZBQOSA-N 1 0 376.501 1.942 20 0 GDADRO COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001593966630 956553829 /nfs/dbraw/zinc/55/38/29/956553829.db2.gz KIZLROSZKYTYKW-QGZVFWFLSA-N 1 0 386.395 1.993 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)C2)CC1 ZINC001343117104 958027802 /nfs/dbraw/zinc/02/78/02/958027802.db2.gz LHEHWNVKBWOMJD-ZOCIIQOWSA-N 1 0 386.496 1.767 20 0 GDADRO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1 ZINC001588922657 962402806 /nfs/dbraw/zinc/40/28/06/962402806.db2.gz WLRHVHXYTFJCHX-MRXNPFEDSA-N 1 0 379.501 1.906 20 0 GDADRO C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001332945952 969724342 /nfs/dbraw/zinc/72/43/42/969724342.db2.gz JTOABNQFHRZTSS-LAVFITLUSA-N 1 0 394.560 1.932 20 0 GDADRO C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC001592269940 977532382 /nfs/dbraw/zinc/53/23/82/977532382.db2.gz UYKSQKYWDQOMIE-OAHLLOKOSA-N 1 0 376.501 1.718 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001596418655 984046223 /nfs/dbraw/zinc/04/62/23/984046223.db2.gz SEFWERPDVQXBLE-INIZCTEOSA-N 1 0 397.541 1.730 20 0 GDADRO C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CCC(=O)NCC(=O)[O-])cc2)C[C@H](C)O1 ZINC001599929300 985277581 /nfs/dbraw/zinc/27/75/81/985277581.db2.gz GTGVQFUUCKKIPG-IYBDPMFKSA-N 1 0 377.485 1.319 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001594516225 985898400 /nfs/dbraw/zinc/89/84/00/985898400.db2.gz NCUCYPSKPXSVQH-INIZCTEOSA-N 1 0 396.532 1.068 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccccc2CC(=O)[O-])C[C@H]1C[NH+](C)C ZINC001598246217 991002259 /nfs/dbraw/zinc/00/22/59/991002259.db2.gz HDTDLRCXBZBFOX-QZTJIDSGSA-N 1 0 376.501 1.195 20 0 GDADRO C[NH+]1CCC(C[NH2+]Cc2ccnc3c(C(=O)[O-])cccc23)(N2CCOCC2)CC1 ZINC001598584107 993357915 /nfs/dbraw/zinc/35/79/15/993357915.db2.gz OOODDURKEBHRPH-UHFFFAOYSA-N 1 0 398.507 1.819 20 0 GDADRO C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[C@H](C(=O)[O-])C1 ZINC001598605153 993636412 /nfs/dbraw/zinc/63/64/12/993636412.db2.gz CXMOHSSSBMWHEU-MOPGFXCFSA-N 1 0 385.508 1.764 20 0 GDADRO C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C[C@H](C(=O)[O-])C1 ZINC001598606198 993662729 /nfs/dbraw/zinc/66/27/29/993662729.db2.gz IFFBTYYCWUMNGX-WIYYLYMNSA-N 1 0 388.512 1.556 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC001593229822 994352508 /nfs/dbraw/zinc/35/25/08/994352508.db2.gz BJWSRJIBPPDRLQ-AWEZNQCLSA-N 1 0 375.469 1.544 20 0 GDADRO COc1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC001599649933 994481993 /nfs/dbraw/zinc/48/19/93/994481993.db2.gz JDSQAJWIGACWDK-JCGIZDLHSA-N 1 0 375.469 1.401 20 0 GDADRO C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001594148250 998503624 /nfs/dbraw/zinc/50/36/24/998503624.db2.gz ASRRHNHJPFBFET-RDJZCZTQSA-N 1 0 375.473 1.098 20 0 GDADRO COC(=O)c1ccc(C[N@H+](CCN2CC[NH+](C)CC2)CC(=O)[O-])cc1Cl ZINC001598972307 998540149 /nfs/dbraw/zinc/54/01/49/998540149.db2.gz OPHANGVTLVVWLH-UHFFFAOYSA-N 1 0 383.876 1.261 20 0 GDADRO CCNC(=O)COc1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1OC ZINC000553457359 1126097076 /nfs/dbraw/zinc/09/70/76/1126097076.db2.gz PWJUOMPSFYQZRZ-UHFFFAOYSA-N 1 0 384.476 1.830 20 0 GDADRO Cn1cc(C[NH2+][C@@H](CO)Cc2ccc(O)cc2)c(I)n1 ZINC001205397085 1126159420 /nfs/dbraw/zinc/15/94/20/1126159420.db2.gz MKFBWDCDUDNBHH-GFCCVEGCSA-N 1 0 387.221 1.424 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC001560580099 1126213455 /nfs/dbraw/zinc/21/34/55/1126213455.db2.gz KLTHOYCDNAMBHT-LJQANCHMSA-N 1 0 394.493 1.435 20 0 GDADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC001593523195 1126217732 /nfs/dbraw/zinc/21/77/32/1126217732.db2.gz JGWNIFXHPSAQCD-HNNXBMFYSA-N 1 0 388.435 1.689 20 0 GDADRO CN(CCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)S(=O)(=O)c1cccs1 ZINC000158687716 530534914 /nfs/dbraw/zinc/53/49/14/530534914.db2.gz ZGHCNJBLYNLRHP-CQSZACIVSA-N 1 0 386.543 1.152 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2)CC1 ZINC000158877754 530537051 /nfs/dbraw/zinc/53/70/51/530537051.db2.gz RDDSVPPTEZBYHE-LBPRGKRZSA-N 1 0 393.340 1.789 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Br)c1 ZINC000158967769 530538153 /nfs/dbraw/zinc/53/81/53/530538153.db2.gz XPRVCLRSPPTVEO-ZDUSSCGKSA-N 1 0 391.331 1.883 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NCCN(C)S(=O)(=O)c2cccs2)C[N@@H+]1C1CC1 ZINC000159178039 530540271 /nfs/dbraw/zinc/54/02/71/530540271.db2.gz KRMHNTDVLFGPMN-OLZOCXBDSA-N 1 0 386.543 1.293 20 0 GDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccc(C)s2)C1 ZINC000159134017 530540684 /nfs/dbraw/zinc/54/06/84/530540684.db2.gz QWPCGDIWNOJKKU-AWEZNQCLSA-N 1 0 388.559 1.366 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000162115340 530565815 /nfs/dbraw/zinc/56/58/15/530565815.db2.gz DEVYLOYIEAYHHC-SECBINFHSA-N 1 0 375.853 1.341 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000162332427 530567330 /nfs/dbraw/zinc/56/73/30/530567330.db2.gz HACDYTDKHMEGGH-UONOGXRCSA-N 1 0 389.315 1.750 20 0 GDADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CN2CSCC2=O)CC1 ZINC000024050016 530576641 /nfs/dbraw/zinc/57/66/41/530576641.db2.gz WYFGCMIWJBWOFK-UHFFFAOYSA-N 1 0 382.917 1.953 20 0 GDADRO Cc1cc(I)ccc1NC(=O)CN1CCO[C@H](C[NH3+])C1 ZINC000165061834 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C[NH+](C)C[C@@H]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000172209890 530609622 /nfs/dbraw/zinc/60/96/22/530609622.db2.gz MRIWKRXXRIVLIV-LBPRGKRZSA-N 1 0 393.285 1.569 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000033425941 530612259 /nfs/dbraw/zinc/61/22/59/530612259.db2.gz RUKPHFIGXIGMJL-QGZVFWFLSA-N 1 0 392.253 1.257 20 0 GDADRO O=S(=O)(NCCCN1CC[NH2+]CC1)c1ccc(Br)cc1Cl ZINC000035307088 530613315 /nfs/dbraw/zinc/61/33/15/530613315.db2.gz WDMVZMDXIBAOPS-UHFFFAOYSA-N 1 0 396.738 1.676 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000041718211 530624053 /nfs/dbraw/zinc/62/40/53/530624053.db2.gz KTMINYNJMWTSGX-UHFFFAOYSA-N 1 0 383.290 1.141 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000173128332 530624371 /nfs/dbraw/zinc/62/43/71/530624371.db2.gz NAZOZLOCBNHDLI-UHFFFAOYSA-N 1 0 391.269 1.927 20 0 GDADRO CC(C)[N@H+](C)CCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000041927128 530625173 /nfs/dbraw/zinc/62/51/73/530625173.db2.gz UJZZZMRLRRZECE-UHFFFAOYSA-N 1 0 387.571 1.922 20 0 GDADRO CCN(CC)S(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000173196139 530625619 /nfs/dbraw/zinc/62/56/19/530625619.db2.gz GVCPIJQNLYKDIZ-PBHICJAKSA-N 1 0 387.571 1.919 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000173238835 530626753 /nfs/dbraw/zinc/62/67/53/530626753.db2.gz ZCDQTURSLKZNBZ-DZGCQCFKSA-N 1 0 388.555 1.668 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000042587636 530629845 /nfs/dbraw/zinc/62/98/45/530629845.db2.gz UTINERRQKZGZOC-LBPRGKRZSA-N 1 0 375.922 1.954 20 0 GDADRO CCCS(=O)(=O)NC1CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000043063726 530633046 /nfs/dbraw/zinc/63/30/46/530633046.db2.gz DKUCMDKHCHHZCU-UHFFFAOYSA-N 1 0 376.567 1.609 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173631392 530634156 /nfs/dbraw/zinc/63/41/56/530634156.db2.gz NAPJNGNPDUSUDF-HNNXBMFYSA-N 1 0 386.539 1.587 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)Oc1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000173727409 530635760 /nfs/dbraw/zinc/63/57/60/530635760.db2.gz AHIBBRNTFLDSRQ-KGLIPLIRSA-N 1 0 384.318 1.969 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)Oc1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000173727384 530635826 /nfs/dbraw/zinc/63/58/26/530635826.db2.gz AHIBBRNTFLDSRQ-ZIAGYGMSSA-N 1 0 384.318 1.969 20 0 GDADRO O=S1(=O)CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000037982306 530617161 /nfs/dbraw/zinc/61/71/61/530617161.db2.gz VDOMXZSRMMXICD-AAEUAGOBSA-N 1 0 378.288 1.213 20 0 GDADRO O=S1(=O)CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000037982308 530617272 /nfs/dbraw/zinc/61/72/72/530617272.db2.gz VDOMXZSRMMXICD-YPMHNXCESA-N 1 0 378.288 1.213 20 0 GDADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000039520204 530618508 /nfs/dbraw/zinc/61/85/08/530618508.db2.gz RBWKHJYPXWELOD-ZDUSSCGKSA-N 1 0 385.917 1.855 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000047145063 530655881 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O=C(NCC[NH+]1CCCCC1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000048220996 530666278 /nfs/dbraw/zinc/66/62/78/530666278.db2.gz LAYKWQKCTXMAIH-OAHLLOKOSA-N 1 0 385.555 1.893 20 0 GDADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000048669159 530670038 /nfs/dbraw/zinc/67/00/38/530670038.db2.gz KDGZKZGORGBYAO-UHFFFAOYSA-N 1 0 389.905 1.530 20 0 GDADRO CCOCCS(=O)(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000178396537 530720470 /nfs/dbraw/zinc/72/04/70/530720470.db2.gz OXKDRBFESVUHBD-UHFFFAOYSA-N 1 0 375.922 1.418 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(I)c[nH]1 ZINC000176871171 530693002 /nfs/dbraw/zinc/69/30/02/530693002.db2.gz PPBJDEZLIYHYDG-LLVKDONJSA-N 1 0 379.242 1.706 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000177876483 530712278 /nfs/dbraw/zinc/71/22/78/530712278.db2.gz SGJTVODWRPWUCO-UHFFFAOYSA-N 1 0 386.543 1.555 20 0 GDADRO C[C@@H](CC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000178367537 530719913 /nfs/dbraw/zinc/71/99/13/530719913.db2.gz KDCWHQKNMSSIKU-UONOGXRCSA-N 1 0 387.933 1.760 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000179401220 530739681 /nfs/dbraw/zinc/73/96/81/530739681.db2.gz BPYCESWKZBZJRT-HNNXBMFYSA-N 1 0 385.302 1.915 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000179414517 530740625 /nfs/dbraw/zinc/74/06/25/530740625.db2.gz IQNDMMGIDMLLMQ-HNNXBMFYSA-N 1 0 398.301 1.094 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000062587075 530743771 /nfs/dbraw/zinc/74/37/71/530743771.db2.gz WTHHGVQEWMBRRP-JTQLQIEISA-N 1 0 375.878 1.138 20 0 GDADRO COc1cc(I)c(C(=O)N2CC[C@@H](C[NH3+])C2)cc1OC ZINC000178571297 530723133 /nfs/dbraw/zinc/72/31/33/530723133.db2.gz IBHFHBOSJUQXLS-VIFPVBQESA-N 1 0 390.221 1.729 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000178654185 530724857 /nfs/dbraw/zinc/72/48/57/530724857.db2.gz DMGOYYFOQWTRSH-QMMMGPOBSA-N 1 0 380.297 1.901 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 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ZINC000179093014 530735232 /nfs/dbraw/zinc/73/52/32/530735232.db2.gz QATZJNUBZHASMT-LSDHHAIUSA-N 1 0 380.286 1.874 20 0 GDADRO C[N@H+](CCNC(=O)c1nc2ncc(Br)cn2n1)Cc1ccccc1 ZINC000065663713 530755693 /nfs/dbraw/zinc/75/56/93/530755693.db2.gz OFPRHKKTFKCZDT-UHFFFAOYSA-N 1 0 389.257 1.749 20 0 GDADRO C[C@H](CNC(=O)c1nc2ncc(Br)cn2n1)[N@@H+]1CCCC[C@H]1C ZINC000065780293 530755865 /nfs/dbraw/zinc/75/58/65/530755865.db2.gz WGTZMAKGGUQHBG-GHMZBOCLSA-N 1 0 381.278 1.880 20 0 GDADRO NC(=O)NC(=O)CCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000065949592 530757264 /nfs/dbraw/zinc/75/72/64/530757264.db2.gz SOBPLZNWIAYFMK-UHFFFAOYSA-N 1 0 389.319 1.603 20 0 GDADRO C[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccs2)[C@@H]1c1ccccc1 ZINC000180113740 530758564 /nfs/dbraw/zinc/75/85/64/530758564.db2.gz NVTPPLOLKKMFKF-PBHICJAKSA-N 1 0 379.507 1.588 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180192600 530760328 /nfs/dbraw/zinc/76/03/28/530760328.db2.gz SEXQHFFEDWYBCZ-LBPRGKRZSA-N 1 0 386.470 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NC(=O)CSCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000107359506 530854097 /nfs/dbraw/zinc/85/40/97/530854097.db2.gz HSUPJRJZVFDTCU-UHFFFAOYSA-N 1 0 384.933 1.187 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000108331356 530856820 /nfs/dbraw/zinc/85/68/20/530856820.db2.gz ONMNOLKEIMUSBX-LBPRGKRZSA-N 1 0 396.285 1.633 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000186768509 530862006 /nfs/dbraw/zinc/86/20/06/530862006.db2.gz YDDIEMQTOJZZJE-CABZTGNLSA-N 1 0 375.288 1.580 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000186809523 530862876 /nfs/dbraw/zinc/86/28/76/530862876.db2.gz YNGMLKZUWMAMMP-WBMJQRKESA-N 1 0 385.917 1.852 20 0 GDADRO Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1I ZINC000186830314 530863202 /nfs/dbraw/zinc/86/32/02/530863202.db2.gz RSZVFEXYRSJITR-GFCCVEGCSA-N 1 0 388.249 1.738 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187089247 530866744 /nfs/dbraw/zinc/86/67/44/530866744.db2.gz PGVGNMMESKKCFR-UHFFFAOYSA-N 1 0 386.290 1.979 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1ccc(OC(F)F)cc1)NC[C@H]1CCCCO1 ZINC000111404882 530875218 /nfs/dbraw/zinc/87/52/18/530875218.db2.gz KNJPQZYPCLMUBR-OAHLLOKOSA-N 1 0 378.441 1.866 20 0 GDADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)[C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]12 ZINC000185116578 530837270 /nfs/dbraw/zinc/83/72/70/530837270.db2.gz ZCYXTXFJNDXSPI-MPESAESLSA-N 1 0 392.297 1.998 20 0 GDADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)C[C@@H]12 ZINC000185165914 530838131 /nfs/dbraw/zinc/83/81/31/530838131.db2.gz OFTDQMQMGVAJLT-COMQUAJESA-N 1 0 392.297 1.998 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000105326265 530842256 /nfs/dbraw/zinc/84/22/56/530842256.db2.gz WTLOTQHMINXFIK-LSDHHAIUSA-N 1 0 385.555 1.844 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)Nc1cccc(F)c1I ZINC000185466607 530842631 /nfs/dbraw/zinc/84/26/31/530842631.db2.gz INJZNGJTWIGEEU-UHFFFAOYSA-N 1 0 395.216 1.866 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N(C)CC[N@H+](C)C2CC2)c(C)s1 ZINC000185577423 530843640 /nfs/dbraw/zinc/84/36/40/530843640.db2.gz YRTFCYFSVCLUDG-UHFFFAOYSA-N 1 0 388.559 1.379 20 0 GDADRO COCC[NH+]1CCC(NC(=O)c2cc(I)c[nH]2)CC1 ZINC000115345929 530898729 /nfs/dbraw/zinc/89/87/29/530898729.db2.gz RLUOMHYEAKOFHO-UHFFFAOYSA-N 1 0 377.226 1.460 20 0 GDADRO [NH3+]CC1(NS(=O)(=O)c2ccc(I)cc2)CCCC1 ZINC000111832865 530877467 /nfs/dbraw/zinc/87/74/67/530877467.db2.gz BPQUOFNLEDEKTD-UHFFFAOYSA-N 1 0 380.251 1.841 20 0 GDADRO C[C@H](OC[C@@H](O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000116994663 530910827 /nfs/dbraw/zinc/91/08/27/530910827.db2.gz UHSJKXBAVGNUKU-RCBQFDQVSA-N 1 0 376.906 1.402 20 0 GDADRO COC[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000112990469 530886113 /nfs/dbraw/zinc/88/61/13/530886113.db2.gz HDFLLAOAGSTFHU-ZDUSSCGKSA-N 1 0 398.301 1.862 20 0 GDADRO CC(C)C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)[NH+](C)C ZINC000114377565 530894363 /nfs/dbraw/zinc/89/43/63/530894363.db2.gz JBNRHOSCEDKTGE-LLVKDONJSA-N 1 0 381.951 1.772 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000119689326 530929322 /nfs/dbraw/zinc/92/93/22/530929322.db2.gz GJIQLNWMIYUHSD-UHFFFAOYSA-N 1 0 382.313 1.856 20 0 GDADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cnc(Cl)c(C)c3)CC2)c1 ZINC000117363774 530912085 /nfs/dbraw/zinc/91/20/85/530912085.db2.gz LGGIRADPMSPBMJ-UHFFFAOYSA-N 1 0 382.873 1.958 20 0 GDADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1I ZINC000118108205 530916185 /nfs/dbraw/zinc/91/61/85/530916185.db2.gz TVGMQLNRDMWDLA-UHFFFAOYSA-N 1 0 375.210 1.298 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(I)c1 ZINC000118104174 530916411 /nfs/dbraw/zinc/91/64/11/530916411.db2.gz ZSTTYNMNEVVMCL-GFCCVEGCSA-N 1 0 387.221 1.440 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Br)c1C ZINC000118124557 530916578 /nfs/dbraw/zinc/91/65/78/530916578.db2.gz GCLMIFYSZJCZSH-CYBMUJFWSA-N 1 0 398.301 1.923 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1nc(Br)ccc1Br ZINC000189722502 530919157 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CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000121394255 530955713 /nfs/dbraw/zinc/95/57/13/530955713.db2.gz KJZIACJJYGBXIR-HNNXBMFYSA-N 1 0 386.539 1.587 20 0 GDADRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)CCCS(C)(=O)=O)c1ccccc1 ZINC000121399976 530955750 /nfs/dbraw/zinc/95/57/50/530955750.db2.gz KBOSQWGOOOHHGA-AWEZNQCLSA-N 1 0 376.544 1.470 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000192867911 530975175 /nfs/dbraw/zinc/97/51/75/530975175.db2.gz YDNYMZAAZXUMGV-CYBMUJFWSA-N 1 0 377.913 1.925 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)c(Cl)cc1Cl ZINC000192921432 530975971 /nfs/dbraw/zinc/97/59/71/530975971.db2.gz IRECYKZBJLRDON-AOOOYVTPSA-N 1 0 393.292 1.962 20 0 GDADRO C[N@H+](CCCNC(=O)NCc1ccc(S(N)(=O)=O)s1)C1CCCCC1 ZINC000192998988 530977685 /nfs/dbraw/zinc/97/76/85/530977685.db2.gz GSAFSIVZGFCUCI-UHFFFAOYSA-N 1 0 388.559 1.849 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCc1ccc(F)c(Br)c1 ZINC000122948560 530978166 /nfs/dbraw/zinc/97/81/66/530978166.db2.gz HYWKIOYBQOEPKM-HNNXBMFYSA-N 1 0 376.270 1.743 20 0 GDADRO CC1(NC(=O)CN2C(=O)COc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000193397396 530985388 /nfs/dbraw/zinc/98/53/88/530985388.db2.gz FNNOCWCKUCZMNL-UHFFFAOYSA-N 1 0 382.258 1.433 20 0 GDADRO C[C@@H]([NH3+])CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000193173954 530980720 /nfs/dbraw/zinc/98/07/20/530980720.db2.gz MXSRDXJKPZBMNH-LLVKDONJSA-N 1 0 394.324 1.954 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1Br ZINC000193178067 530980818 /nfs/dbraw/zinc/98/08/18/530980818.db2.gz DGLARZAMBJQGLZ-GFCCVEGCSA-N 1 0 381.274 1.788 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000193235563 530982058 /nfs/dbraw/zinc/98/20/58/530982058.db2.gz PKBLOVPKYRTMML-UHFFFAOYSA-N 1 0 381.267 1.875 20 0 GDADRO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1cc(Br)cc2c1OCC2 ZINC000193243677 530982117 /nfs/dbraw/zinc/98/21/17/530982117.db2.gz CZZZCENXXLXKQH-SNVBAGLBSA-N 1 0 375.288 1.662 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)ncc1Br ZINC000193250783 530982304 /nfs/dbraw/zinc/98/23/04/530982304.db2.gz FBXVRUICYSZJAK-UHFFFAOYSA-N 1 0 399.289 1.318 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000123301888 530982510 /nfs/dbraw/zinc/98/25/10/530982510.db2.gz APXVZDVBORRZAV-NEPJUHHUSA-N 1 0 378.491 1.380 20 0 GDADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)C1 ZINC000193332282 530984247 /nfs/dbraw/zinc/98/42/47/530984247.db2.gz LOFBATAGPGFOME-CQSZACIVSA-N 1 0 387.571 1.825 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(c4ccccc4Br)C3=O)C[C@H]2C1 ZINC000192517708 530969524 /nfs/dbraw/zinc/96/95/24/530969524.db2.gz GYMJFOHYERPLHF-HZSPNIEDSA-N 1 0 392.297 1.822 20 0 GDADRO CC[NH2+]Cc1ccccc1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000124205014 530992357 /nfs/dbraw/zinc/99/23/57/530992357.db2.gz SLNPGZUMHJCRLI-UHFFFAOYSA-N 1 0 381.230 1.047 20 0 GDADRO COc1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(Br)c1 ZINC000124532298 530996847 /nfs/dbraw/zinc/99/68/47/530996847.db2.gz NQMKOJULXYPWRX-UHFFFAOYSA-N 1 0 384.274 1.304 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000193419006 530986199 /nfs/dbraw/zinc/98/61/99/530986199.db2.gz YHLBICXTEJKBGD-JSGCOSHPSA-N 1 0 387.571 1.729 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000193462655 530987156 /nfs/dbraw/zinc/98/71/56/530987156.db2.gz GFLKFKFQKSIHSG-GWCFXTLKSA-N 1 0 379.404 1.398 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193522338 530988495 /nfs/dbraw/zinc/98/84/95/530988495.db2.gz SWOMWFONIXDWRQ-LBPRGKRZSA-N 1 0 387.278 1.256 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ncccc2Br)CC1 ZINC000193576871 530989829 /nfs/dbraw/zinc/98/98/29/530989829.db2.gz AUJPQKHJKQIXQW-CYBMUJFWSA-N 1 0 381.274 1.223 20 0 GDADRO CN(C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C1CC[NH2+]CC1 ZINC000125353177 531005095 /nfs/dbraw/zinc/00/50/95/531005095.db2.gz ISQOTKSNZIDYGN-UHFFFAOYSA-N 1 0 394.269 1.646 20 0 GDADRO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)S(C)(=O)=O ZINC000125463335 531006748 /nfs/dbraw/zinc/00/67/48/531006748.db2.gz OPIUOHSIWXNGTB-GFCCVEGCSA-N 1 0 380.304 1.602 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1Br ZINC000194732619 531009270 /nfs/dbraw/zinc/00/92/70/531009270.db2.gz AQDIZVSEUGUTBY-SNVBAGLBSA-N 1 0 379.276 1.482 20 0 GDADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000194820322 531010716 /nfs/dbraw/zinc/01/07/16/531010716.db2.gz MXXOIYQMTBJQPW-LLVKDONJSA-N 1 0 382.511 1.973 20 0 GDADRO C[C@H]([NH3+])CNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000194873669 531011322 /nfs/dbraw/zinc/01/13/22/531011322.db2.gz XZLRVQWVYFIGCD-LBPRGKRZSA-N 1 0 379.507 1.572 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000194897953 531011656 /nfs/dbraw/zinc/01/16/56/531011656.db2.gz LKNSIRIVUWBTKC-SNVBAGLBSA-N 1 0 377.869 1.343 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000195054544 531014408 /nfs/dbraw/zinc/01/44/08/531014408.db2.gz IORKCNKCOFLKHO-HNNXBMFYSA-N 1 0 398.301 1.957 20 0 GDADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)NCc1cccs1 ZINC000126229705 531016547 /nfs/dbraw/zinc/01/65/47/531016547.db2.gz ZSOVAYDVRJAITO-JTQLQIEISA-N 1 0 399.460 1.656 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)CSCc2cscn2)CC1 ZINC000127863976 531034712 /nfs/dbraw/zinc/03/47/12/531034712.db2.gz PXVPTQCYYSMOBS-UHFFFAOYSA-N 1 0 377.539 1.840 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCC1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC000195433518 531022403 /nfs/dbraw/zinc/02/24/03/531022403.db2.gz IFYMKFIOFVAKMT-AWEZNQCLSA-N 1 0 388.559 1.322 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000127049199 531025393 /nfs/dbraw/zinc/02/53/93/531025393.db2.gz SELXTHLXMPWHGJ-CQSZACIVSA-N 1 0 379.507 1.361 20 0 GDADRO C[C@H](CC(=O)N(C)C)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000127229113 531027659 /nfs/dbraw/zinc/02/76/59/531027659.db2.gz ICNLQFHOWPIQOK-CQSZACIVSA-N 1 0 387.571 1.922 20 0 GDADRO Cc1cccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1I ZINC000225464331 531031096 /nfs/dbraw/zinc/03/10/96/531031096.db2.gz ISAANMIPUVSPMR-LBPRGKRZSA-N 1 0 387.265 1.575 20 0 GDADRO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000127580944 531031815 /nfs/dbraw/zinc/03/18/15/531031815.db2.gz PZZSRIHLKPNORM-MRXNPFEDSA-N 1 0 375.579 1.825 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)[C@@H](C[NH3+])C1 ZINC000226618441 531032094 /nfs/dbraw/zinc/03/20/94/531032094.db2.gz LXQSDDINCGCEBR-JTQLQIEISA-N 1 0 382.711 1.366 20 0 GDADRO C[NH+](C)CCNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000124859160 531000348 /nfs/dbraw/zinc/00/03/48/531000348.db2.gz NDLLDIRUCWIEMN-UHFFFAOYSA-N 1 0 381.420 1.442 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)cn2)[C@H](C)C1 ZINC000194242722 531001881 /nfs/dbraw/zinc/00/18/81/531001881.db2.gz FBCYTQMPUKRNJA-DGCLKSJQSA-N 1 0 383.290 1.971 20 0 GDADRO Cn1cc(Br)cc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)c1=O ZINC000124985568 531002028 /nfs/dbraw/zinc/00/20/28/531002028.db2.gz FUWOHJZOZHHETN-UHFFFAOYSA-N 1 0 399.289 1.077 20 0 GDADRO C[N@H+](C[C@H](O)COc1ccccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000125153964 531003429 /nfs/dbraw/zinc/00/34/29/531003429.db2.gz GXYVKQMPILMSJK-AWEZNQCLSA-N 1 0 376.906 1.436 20 0 GDADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000245928558 531061285 /nfs/dbraw/zinc/06/12/85/531061285.db2.gz YAMKZTQHJNOMGR-IUODEOHRSA-N 1 0 378.274 1.979 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[C@@H](C)C1 ZINC000246045241 531063159 /nfs/dbraw/zinc/06/31/59/531063159.db2.gz SORAOUSYYSCQDL-SWLSCSKDSA-N 1 0 392.518 1.580 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C[NH3+])ccc1Br ZINC000130857446 531064682 /nfs/dbraw/zinc/06/46/82/531064682.db2.gz YHHVRIWXWSNZTI-NSHDSACASA-N 1 0 375.288 1.806 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(=O)(=O)NC)s2)[C@H](C)C1 ZINC000128119849 531037729 /nfs/dbraw/zinc/03/77/29/531037729.db2.gz AQGRMBPTTORWAX-OCCSQVGLSA-N 1 0 388.559 1.528 20 0 GDADRO CC(C)(C(=O)NC[C@@H]([NH3+])C1CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000236711268 531039023 /nfs/dbraw/zinc/03/90/23/531039023.db2.gz YYVIOAFKXJZGIA-CYBMUJFWSA-N 1 0 389.315 1.855 20 0 GDADRO CC(C)(C(=O)N[C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000236717221 531039502 /nfs/dbraw/zinc/03/95/02/531039502.db2.gz RZVJZHFDZQHKFI-ZDUSSCGKSA-N 1 0 389.315 1.855 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000236752755 531039570 /nfs/dbraw/zinc/03/95/70/531039570.db2.gz XXZVPHCSUBGBKA-DOMZBBRYSA-N 1 0 375.922 1.839 20 0 GDADRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000236851508 531041311 /nfs/dbraw/zinc/04/13/11/531041311.db2.gz AGCWXXKUNQOQKO-UHFFFAOYSA-N 1 0 381.420 1.775 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)Nc2cccc(I)c2)CCO1 ZINC000128599991 531042369 /nfs/dbraw/zinc/04/23/69/531042369.db2.gz ZZPICWYXNCYDMU-GWCFXTLKSA-N 1 0 389.237 1.278 20 0 GDADRO COc1cc(I)c(C(=O)N2CCC([NH3+])CC2)cc1OC ZINC000237118710 531042863 /nfs/dbraw/zinc/04/28/63/531042863.db2.gz GSHWMBAHAGPKJJ-UHFFFAOYSA-N 1 0 390.221 1.872 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000237288584 531044799 /nfs/dbraw/zinc/04/47/99/531044799.db2.gz PSPCLCWEJDBPPN-GFCCVEGCSA-N 1 0 375.441 1.091 20 0 GDADRO CN(CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)c1ccc(Br)o1 ZINC000237295791 531044822 /nfs/dbraw/zinc/04/48/22/531044822.db2.gz QNEDIIAXFGFMOO-FOSCPWQOSA-N 1 0 384.274 1.856 20 0 GDADRO COCC[NH2+]CCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000237299685 531044875 /nfs/dbraw/zinc/04/48/75/531044875.db2.gz YKVDIKGGQKRYDK-LBPRGKRZSA-N 1 0 384.274 1.154 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCc2c1cccc2Br ZINC000237338519 531045351 /nfs/dbraw/zinc/04/53/51/531045351.db2.gz CSBGGNLOJXBJDZ-STQMWFEESA-N 1 0 375.288 1.315 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000237334101 531045512 /nfs/dbraw/zinc/04/55/12/531045512.db2.gz CBDVLWAPOJGNLV-LLVKDONJSA-N 1 0 387.552 1.873 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000237428219 531045955 /nfs/dbraw/zinc/04/59/55/531045955.db2.gz KIZXPZJCHRGKSB-JTQLQIEISA-N 1 0 380.539 1.902 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000237344767 531046091 /nfs/dbraw/zinc/04/60/91/531046091.db2.gz QCFXLVYKQOTLBC-NEPJUHHUSA-N 1 0 393.285 1.745 20 0 GDADRO C[C@@H](CC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000237436860 531046807 /nfs/dbraw/zinc/04/68/07/531046807.db2.gz UIAMDVHDLBSILW-ZDUSSCGKSA-N 1 0 387.933 1.760 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000237526036 531047620 /nfs/dbraw/zinc/04/76/20/531047620.db2.gz BLQNZXDKHKQVJZ-SNVBAGLBSA-N 1 0 380.539 1.808 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000237536590 531047937 /nfs/dbraw/zinc/04/79/37/531047937.db2.gz DYIXJUNLQOCSNJ-STQMWFEESA-N 1 0 387.571 1.953 20 0 GDADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000237539005 531048029 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O=C(CNC(=O)CN1CCCSCC1)Nc1ccccc1Br ZINC000129448831 531050733 /nfs/dbraw/zinc/05/07/33/531050733.db2.gz UXQOELCFRNUSFT-UHFFFAOYSA-N 1 0 386.315 1.943 20 0 GDADRO [NH3+]C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000237850908 531051455 /nfs/dbraw/zinc/05/14/55/531051455.db2.gz IOLNJIWLEJSLIF-INIZCTEOSA-N 1 0 385.917 1.594 20 0 GDADRO O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000237877679 531051563 /nfs/dbraw/zinc/05/15/63/531051563.db2.gz RAMREXVIWXTGQE-LBPRGKRZSA-N 1 0 379.404 1.399 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000237868172 531051695 /nfs/dbraw/zinc/05/16/95/531051695.db2.gz AXLCMUPCSRKMLW-GFCCVEGCSA-N 1 0 393.285 1.746 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000238007177 531053245 /nfs/dbraw/zinc/05/32/45/531053245.db2.gz UVDZMPLKWMWPEL-LRDDRELGSA-N 1 0 385.917 1.982 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000237990859 531053251 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O=C(C[C@@H]1COCC[NH2+]1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000262524317 531123290 /nfs/dbraw/zinc/12/32/90/531123290.db2.gz LCXBDUXQROFAMD-GFCCVEGCSA-N 1 0 380.246 1.229 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000262547618 531123636 /nfs/dbraw/zinc/12/36/36/531123636.db2.gz RXNQFJVVVDQPDL-ZDUSSCGKSA-N 1 0 388.331 1.426 20 0 GDADRO Cc1cc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000262541549 531123825 /nfs/dbraw/zinc/12/38/25/531123825.db2.gz REYVTFUBUPTZAC-CYBMUJFWSA-N 1 0 388.331 1.426 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262569309 531124289 /nfs/dbraw/zinc/12/42/89/531124289.db2.gz GBYAPDDTUBQCDR-JTQLQIEISA-N 1 0 380.242 1.161 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000262576262 531124298 /nfs/dbraw/zinc/12/42/98/531124298.db2.gz FSPKERPEQOMOFZ-UHFFFAOYSA-N 1 0 398.348 1.232 20 0 GDADRO O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NCC[C@H]1CC[NH2+]C1 ZINC000262587911 531125136 /nfs/dbraw/zinc/12/51/36/531125136.db2.gz 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Cc1ccsc1[C@@H](CO)NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000477590587 531332591 /nfs/dbraw/zinc/33/25/91/531332591.db2.gz KBQKOFLGHUXUGS-CQSZACIVSA-N 1 0 386.543 1.443 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000440346879 531333962 /nfs/dbraw/zinc/33/39/62/531333962.db2.gz HKCRUWSKZJGXRH-YGRLFVJLSA-N 1 0 379.479 1.088 20 0 GDADRO [NH3+]C1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000440342509 531334030 /nfs/dbraw/zinc/33/40/30/531334030.db2.gz RNYXALZVYHJJPB-UHFFFAOYSA-N 1 0 387.527 1.019 20 0 GDADRO Cc1nc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000411681745 531334228 /nfs/dbraw/zinc/33/42/28/531334228.db2.gz ZJHNJKBLUROPCR-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)ncc1Br ZINC000278103059 531334391 /nfs/dbraw/zinc/33/43/91/531334391.db2.gz QSVFSCIYGDMETL-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)[C@H](C[NH3+])C1 ZINC000440853411 531347909 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20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)c(Cl)cc21 ZINC000528046671 531340289 /nfs/dbraw/zinc/34/02/89/531340289.db2.gz IRWNOOCSUSFBLD-UKRRQHHQSA-N 1 0 383.901 1.622 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c(Cl)cc21 ZINC000528048919 531340685 /nfs/dbraw/zinc/34/06/85/531340685.db2.gz WIBHCGJWEPXIRK-ZDUSSCGKSA-N 1 0 399.822 1.759 20 0 GDADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000528057002 531341420 /nfs/dbraw/zinc/34/14/20/531341420.db2.gz RYEYQVOHERARPR-UHFFFAOYSA-N 1 0 377.304 1.852 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000292194478 531341487 /nfs/dbraw/zinc/34/14/87/531341487.db2.gz XTGPCSDQUKTQAO-GFCCVEGCSA-N 1 0 375.516 1.016 20 0 GDADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)C2(CO)CCC2)ccc1Cl ZINC000292202583 531342717 /nfs/dbraw/zinc/34/27/17/531342717.db2.gz SKGPFUVSQCIRJH-UHFFFAOYSA-N 1 0 389.905 1.376 20 0 GDADRO Cn1ncc(I)c1C(=O)NCCC[NH+]1CCCCC1 ZINC000292223183 531343683 /nfs/dbraw/zinc/34/36/83/531343683.db2.gz MQNIYDXAMGYKRT-UHFFFAOYSA-N 1 0 376.242 1.631 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1Br ZINC000440747062 531343871 /nfs/dbraw/zinc/34/38/71/531343871.db2.gz MGDKHQYHKACWNP-VHSXEESVSA-N 1 0 390.303 1.778 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)NCC[C@H](C)[NH3+] ZINC000440759459 531344080 /nfs/dbraw/zinc/34/40/80/531344080.db2.gz XPAVSYMNVIMJKU-NSHDSACASA-N 1 0 395.319 1.880 20 0 GDADRO COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2cccc(Br)c2)CC[N@H+](C)C1 ZINC000411901295 531344431 /nfs/dbraw/zinc/34/44/31/531344431.db2.gz GFQPEBHBYXBZOI-CHWSQXEVSA-N 1 0 398.301 1.813 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000440805157 531345053 /nfs/dbraw/zinc/34/50/53/531345053.db2.gz YWEYVACHONVUSJ-RISCZKNCSA-N 1 0 384.889 1.811 20 0 GDADRO COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC[N@H+](C)C1 ZINC000411901300 531345052 /nfs/dbraw/zinc/34/50/52/531345052.db2.gz GFQPEBHBYXBZOI-STQMWFEESA-N 1 0 398.301 1.813 20 0 GDADRO COC(=O)[C@@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[N@H+](C)C1 ZINC000411909609 531346878 /nfs/dbraw/zinc/34/68/78/531346878.db2.gz GCMSOZKSESVHMT-NSHDSACASA-N 1 0 381.274 1.862 20 0 GDADRO OC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCOC1 ZINC000411984724 531354705 /nfs/dbraw/zinc/35/47/05/531354705.db2.gz IGBZIZHSRODTSW-XFJVYGCCSA-N 1 0 392.265 1.705 20 0 GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c(I)cnn1C ZINC000292447617 531354835 /nfs/dbraw/zinc/35/48/35/531354835.db2.gz NIMSRUMAJQDHGW-CMPLNLGQSA-N 1 0 388.253 1.724 20 0 GDADRO CC(C)[C@@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCS1 ZINC000266648117 531360455 /nfs/dbraw/zinc/36/04/55/531360455.db2.gz WWSVXIYENRAYSJ-INIZCTEOSA-N 1 0 385.555 1.066 20 0 GDADRO NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528479267 531359860 /nfs/dbraw/zinc/35/98/60/531359860.db2.gz USVQKSXZDYVRCX-CQSZACIVSA-N 1 0 387.527 1.019 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000528384344 531352642 /nfs/dbraw/zinc/35/26/42/531352642.db2.gz ZJIYQOOIIYMWCM-NSHDSACASA-N 1 0 377.869 1.310 20 0 GDADRO COc1cc(I)c(C(=O)NC[C@H](C)C[NH3+])cc1OC ZINC000441606961 531362557 /nfs/dbraw/zinc/36/25/57/531362557.db2.gz DVCSDLRXYPKIIT-MRVPVSSYSA-N 1 0 378.210 1.633 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000266717378 531364263 /nfs/dbraw/zinc/36/42/63/531364263.db2.gz ZAYIDAGICKIJFF-GFCCVEGCSA-N 1 0 384.274 1.533 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000266868514 531375065 /nfs/dbraw/zinc/37/50/65/531375065.db2.gz UHTHSVGMHXPGNZ-ZDUSSCGKSA-N 1 0 376.835 1.986 20 0 GDADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)CC1 ZINC000441972739 531367221 /nfs/dbraw/zinc/36/72/21/531367221.db2.gz WJDKXZDQKCZGKN-UHFFFAOYSA-N 1 0 387.889 1.140 20 0 GDADRO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC000412423716 531369815 /nfs/dbraw/zinc/36/98/15/531369815.db2.gz YOCRWARIKHKNMH-JKSUJKDBSA-N 1 0 376.567 1.224 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1Br ZINC000292682846 531371180 /nfs/dbraw/zinc/37/11/80/531371180.db2.gz PRYDRPJIYORUPD-SNVBAGLBSA-N 1 0 392.319 1.884 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(C)c2I)C1 ZINC000292891881 531386346 /nfs/dbraw/zinc/38/63/46/531386346.db2.gz FYRQZOLZBAHKDA-NSHDSACASA-N 1 0 390.269 1.875 20 0 GDADRO Cc1c(C(=O)NC[C@@H](C)[NH+](C)C)cc(Br)cc1S(N)(=O)=O ZINC000267021579 531388283 /nfs/dbraw/zinc/38/82/83/531388283.db2.gz POZOFKJNNDXUCL-MRVPVSSYSA-N 1 0 378.292 1.085 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCSC1 ZINC000267065574 531392725 /nfs/dbraw/zinc/39/27/25/531392725.db2.gz CRCMHTBTLAKTFL-KRWDZBQOSA-N 1 0 383.539 1.294 20 0 GDADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000480716633 531377188 /nfs/dbraw/zinc/37/71/88/531377188.db2.gz RCXMONAHWGOPCK-JTQLQIEISA-N 1 0 392.499 1.330 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000480733065 531377352 /nfs/dbraw/zinc/37/73/52/531377352.db2.gz GANQONSGOYDWRS-CYBMUJFWSA-N 1 0 389.543 1.136 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000349599641 531377728 /nfs/dbraw/zinc/37/77/28/531377728.db2.gz GUMVZFBHGIPHLK-CJNGLKHVSA-N 1 0 389.543 1.442 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@H](C)C[C@H]2C)cc[nH+]1 ZINC000349599848 531378585 /nfs/dbraw/zinc/37/85/85/531378585.db2.gz BUWQGVARHGGRCH-UKRRQHHQSA-N 1 0 389.543 1.394 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@@H](C)C[C@H]2C)cc[nH+]1 ZINC000349599844 531378998 /nfs/dbraw/zinc/37/89/98/531378998.db2.gz BUWQGVARHGGRCH-DZGCQCFKSA-N 1 0 389.543 1.394 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000266980487 531382088 /nfs/dbraw/zinc/38/20/88/531382088.db2.gz ZGOSMFWTRYCRRV-UHFFFAOYSA-N 1 0 383.945 1.962 20 0 GDADRO CC[C@@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)[C@@H](O)C(F)(F)F ZINC000480909973 531382246 /nfs/dbraw/zinc/38/22/46/531382246.db2.gz LPLWPPULIOQDNQ-DGCLKSJQSA-N 1 0 386.440 1.042 20 0 GDADRO CC[C@@H]1CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000349609972 531397792 /nfs/dbraw/zinc/39/77/92/531397792.db2.gz PRTQIYJGQUBUJF-OAHLLOKOSA-N 1 0 375.516 1.148 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000293069465 531399077 /nfs/dbraw/zinc/39/90/77/531399077.db2.gz MWJJKLKWEPVLSW-HNNXBMFYSA-N 1 0 382.262 1.115 20 0 GDADRO COc1cc(C[NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)cc(OC)c1 ZINC000482522730 531399548 /nfs/dbraw/zinc/39/95/48/531399548.db2.gz AJDAVMSBROCNHN-UHFFFAOYSA-N 1 0 387.483 1.242 20 0 GDADRO CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267125458 531400433 /nfs/dbraw/zinc/40/04/33/531400433.db2.gz BNGQXRNFUFKKTH-KRWDZBQOSA-N 1 0 385.555 1.669 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)CC[N@H+](C)C1 ZINC000413302213 531402264 /nfs/dbraw/zinc/40/22/64/531402264.db2.gz MDVNKTUKQVDOTL-VIFPVBQESA-N 1 0 380.392 1.408 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)CC[N@H+](C)C1 ZINC000413302211 531402333 /nfs/dbraw/zinc/40/23/33/531402333.db2.gz MDVNKTUKQVDOTL-SECBINFHSA-N 1 0 380.392 1.408 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000267151949 531403834 /nfs/dbraw/zinc/40/38/34/531403834.db2.gz CNGCDTXPANYSRD-LBPRGKRZSA-N 1 0 388.511 1.792 20 0 GDADRO CC1(C)CCC[N@H+](CCNC(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000445217593 531404516 /nfs/dbraw/zinc/40/45/16/531404516.db2.gz DHHPVVQRSZTJPN-UHFFFAOYSA-N 1 0 388.559 1.448 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000446188204 531406383 /nfs/dbraw/zinc/40/63/83/531406383.db2.gz UVFGNELWAVXBQH-ZDUSSCGKSA-N 1 0 386.290 1.301 20 0 GDADRO CCc1n[nH]c(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1Br ZINC000279009277 531407095 /nfs/dbraw/zinc/40/70/95/531407095.db2.gz KRNSFAUZNFNLLG-ZDUSSCGKSA-N 1 0 386.338 1.736 20 0 GDADRO C[NH+](C)CCOCCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446294006 531407875 /nfs/dbraw/zinc/40/78/75/531407875.db2.gz UCAADSWZESWDLL-ZDUSSCGKSA-N 1 0 384.274 1.569 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000531335819 531408609 /nfs/dbraw/zinc/40/86/09/531408609.db2.gz PZDTYKXOVTWMDO-UHFFFAOYSA-N 1 0 393.285 1.821 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2sc(C(=O)OC)cc2OC)C1 ZINC000267189225 531409548 /nfs/dbraw/zinc/40/95/48/531409548.db2.gz MAJLEVMLNUEVSD-LLVKDONJSA-N 1 0 376.500 1.648 20 0 GDADRO Cc1nc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)ccc1Br ZINC000446657587 531411386 /nfs/dbraw/zinc/41/13/86/531411386.db2.gz IQEZIJCLMWHHBU-UHFFFAOYSA-N 1 0 378.230 1.136 20 0 GDADRO CS[C@H]1CN(C(=O)c2cccc(S(N)(=O)=O)c2C)C[C@H]1[NH+]1CCCC1 ZINC000483389340 531412348 /nfs/dbraw/zinc/41/23/48/531412348.db2.gz FSMFEFBDLMEJBH-CABCVRRESA-N 1 0 383.539 1.294 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)NCC[N@H+](C)C2CCCC2)s1 ZINC000267230676 531412811 /nfs/dbraw/zinc/41/28/11/531412811.db2.gz VNUIRJMQLAYLMM-UHFFFAOYSA-N 1 0 376.500 1.696 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000293292286 531413932 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CC(=O)Nc1cc(C)c(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000447239549 531421677 /nfs/dbraw/zinc/42/16/77/531421677.db2.gz NOSULCWPSDNTTQ-CABZTGNLSA-N 1 0 390.303 1.684 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000447253381 531423076 /nfs/dbraw/zinc/42/30/76/531423076.db2.gz YBROGWRQZVQAOO-OLZOCXBDSA-N 1 0 387.571 1.811 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000447253226 531423086 /nfs/dbraw/zinc/42/30/86/531423086.db2.gz WXVNJXRXBQSKNN-NXEZZACHSA-N 1 0 393.303 1.824 20 0 GDADRO CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000267336482 531419592 /nfs/dbraw/zinc/41/95/92/531419592.db2.gz PKPSAPDWZKWUNL-AWEZNQCLSA-N 1 0 385.555 1.950 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000447253781 531423668 /nfs/dbraw/zinc/42/36/68/531423668.db2.gz BRZPYFBHIMXNHI-VXGBXAGGSA-N 1 0 393.506 1.334 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Cc2ccc(Br)s2)CC[N@H+](C)C1 ZINC000413920727 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O=C(Nc1ccc2nccnc2c1Br)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415314543 531474351 /nfs/dbraw/zinc/47/43/51/531474351.db2.gz KBSVPQAKVURBKQ-SECBINFHSA-N 1 0 378.230 1.199 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(F)(F)F ZINC000449718440 531474441 /nfs/dbraw/zinc/47/44/41/531474441.db2.gz JOZWTPVAWMQZKS-SNVBAGLBSA-N 1 0 385.433 1.542 20 0 GDADRO [NH3+]CC[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C(F)(F)F ZINC000449715207 531474462 /nfs/dbraw/zinc/47/44/62/531474462.db2.gz DPQCNOXCQFFNCQ-NSHDSACASA-N 1 0 396.207 1.965 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449722178 531474511 /nfs/dbraw/zinc/47/45/11/531474511.db2.gz PMGGEWPLWYGNTI-GZMMTYOYSA-N 1 0 396.207 1.963 20 0 GDADRO Cn1ncc(Br)c1CNC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000487551472 531474616 /nfs/dbraw/zinc/47/46/16/531474616.db2.gz MWWLKPCRIOIUSY-HUUCEWRRSA-N 1 0 379.302 1.908 20 0 GDADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccncc2Br)CC1 ZINC000487568282 531475256 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OC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CCCOC1 ZINC000414569740 531459196 /nfs/dbraw/zinc/45/91/96/531459196.db2.gz ZSSJFJPUBCZLGF-DOMZBBRYSA-N 1 0 381.274 1.907 20 0 GDADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(S(C)(=O)=O)cs3)C2)CC1 ZINC000362425568 531460821 /nfs/dbraw/zinc/46/08/21/531460821.db2.gz RDPJKSTYZNSUFP-CQSZACIVSA-N 1 0 385.555 1.392 20 0 GDADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cc(S(C)(=O)=O)cs3)C2)CC1 ZINC000362425567 531460989 /nfs/dbraw/zinc/46/09/89/531460989.db2.gz RDPJKSTYZNSUFP-AWEZNQCLSA-N 1 0 385.555 1.392 20 0 GDADRO C[C@@H](NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@H](C)[NH3+] ZINC000414679610 531461398 /nfs/dbraw/zinc/46/13/98/531461398.db2.gz LTSKKTQMHYAJOX-WDEREUQCSA-N 1 0 390.893 1.218 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc2c(Br)cccc2cn1 ZINC000448950777 531462222 /nfs/dbraw/zinc/46/22/22/531462222.db2.gz AEYIKPBFIDFMBV-CYBMUJFWSA-N 1 0 377.286 1.973 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000362703319 531462784 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COc1ccc(I)c(NC(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000415068072 531465687 /nfs/dbraw/zinc/46/56/87/531465687.db2.gz DLBAJGHUETUTEF-SNVBAGLBSA-N 1 0 391.209 1.491 20 0 GDADRO COc1cc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccc1NS(C)(=O)=O ZINC000415160103 531466637 /nfs/dbraw/zinc/46/66/37/531466637.db2.gz KCGSQKPAIZHQCG-GFCCVEGCSA-N 1 0 378.401 1.185 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000415193369 531467083 /nfs/dbraw/zinc/46/70/83/531467083.db2.gz WOFZIBLEBTYBML-GFCCVEGCSA-N 1 0 382.408 1.632 20 0 GDADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCn1cc(Br)cn1 ZINC000415210076 531468077 /nfs/dbraw/zinc/46/80/77/531468077.db2.gz JNBLVGYASGZWDQ-UHFFFAOYSA-N 1 0 380.246 1.120 20 0 GDADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCn1cc(Br)cn1 ZINC000415219208 531468104 /nfs/dbraw/zinc/46/81/04/531468104.db2.gz VWILFOFDABHZMM-UHFFFAOYSA-N 1 0 394.273 1.510 20 0 GDADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000415200675 531468186 /nfs/dbraw/zinc/46/81/86/531468186.db2.gz JHAAKZFAHIQDJP-NSHDSACASA-N 1 0 382.820 1.830 20 0 GDADRO CCCNS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000415234003 531468415 /nfs/dbraw/zinc/46/84/15/531468415.db2.gz SXGBOSBZUVSWOP-ZDUSSCGKSA-N 1 0 376.429 1.494 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc(F)cc1I ZINC000415248034 531469591 /nfs/dbraw/zinc/46/95/91/531469591.db2.gz FYRWEDTUYXDVKC-JTQLQIEISA-N 1 0 392.216 1.455 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000268049309 531469882 /nfs/dbraw/zinc/46/98/82/531469882.db2.gz UKVLCJWRVMSDLM-UHFFFAOYSA-N 1 0 381.523 1.826 20 0 GDADRO NC(=O)[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Br)c1 ZINC000280070029 531470735 /nfs/dbraw/zinc/47/07/35/531470735.db2.gz XONSMKCEBYBXLH-QLFBSQMISA-N 1 0 395.301 1.902 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCCCN2CC[NH2+]CC2)cc(C)c1Br ZINC000415273993 531470874 /nfs/dbraw/zinc/47/08/74/531470874.db2.gz XXNHYMXQKGQUKS-UHFFFAOYSA-N 1 0 397.317 1.416 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[NH2+]CC2)n(-c2cccc(Br)c2)n1 ZINC000415285669 531471880 /nfs/dbraw/zinc/47/18/80/531471880.db2.gz SBAHGDWSOFAGJW-UHFFFAOYSA-N 1 0 392.257 1.314 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc(OC)c2)C1 ZINC000415282489 531471904 /nfs/dbraw/zinc/47/19/04/531471904.db2.gz MNBSIRLGIFPLGZ-NSHDSACASA-N 1 0 384.274 1.854 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000449442707 531472201 /nfs/dbraw/zinc/47/22/01/531472201.db2.gz MGMLWBVEWRQABL-WCQYABFASA-N 1 0 391.921 1.983 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000415298331 531472360 /nfs/dbraw/zinc/47/23/60/531472360.db2.gz WNKYRMFGQKHAIX-GFCCVEGCSA-N 1 0 381.274 1.547 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000268147916 531478878 /nfs/dbraw/zinc/47/88/78/531478878.db2.gz FOZIVNGMZKEWFI-RISCZKNCSA-N 1 0 378.523 1.588 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415362809 531479314 /nfs/dbraw/zinc/47/93/14/531479314.db2.gz CFGVHROGEQPUCR-UHFFFAOYSA-N 1 0 395.628 1.609 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(F)cc1I ZINC000415370466 531479793 /nfs/dbraw/zinc/47/97/93/531479793.db2.gz CZEMJVWOLQBIMQ-SECBINFHSA-N 1 0 391.184 1.237 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415374319 531480488 /nfs/dbraw/zinc/48/04/88/531480488.db2.gz YRUYTYLVHVMRGB-UHFFFAOYSA-N 1 0 394.273 1.358 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)ccc1Br ZINC000415380172 531481366 /nfs/dbraw/zinc/48/13/66/531481366.db2.gz PCOROMGZOWIONG-SNVBAGLBSA-N 1 0 384.230 1.042 20 0 GDADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415380062 531481726 /nfs/dbraw/zinc/48/17/26/531481726.db2.gz KWAGNYQEHMOQGS-UHFFFAOYSA-N 1 0 394.273 1.486 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000280223220 531481885 /nfs/dbraw/zinc/48/18/85/531481885.db2.gz LLFKACNNEHWTIT-VIFPVBQESA-N 1 0 376.201 1.876 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415546090 531493320 /nfs/dbraw/zinc/49/33/20/531493320.db2.gz XLLJLMOJRAYGCO-QWRGUYRKSA-N 1 0 387.889 1.268 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415397325 531482271 /nfs/dbraw/zinc/48/22/71/531482271.db2.gz QXZYNQFHRBTKDY-MRVPVSSYSA-N 1 0 376.201 1.734 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)cc1Br ZINC000415396592 531482403 /nfs/dbraw/zinc/48/24/03/531482403.db2.gz QBGKIRYVLXGLRO-LLVKDONJSA-N 1 0 384.274 1.854 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1Cl ZINC000415406780 531483282 /nfs/dbraw/zinc/48/32/82/531483282.db2.gz AKZUVXLOYMBMRR-SNVBAGLBSA-N 1 0 390.267 1.777 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc(OC)c1Br ZINC000415407700 531483375 /nfs/dbraw/zinc/48/33/75/531483375.db2.gz BIKLJCAVRBVCBI-VIFPVBQESA-N 1 0 386.246 1.225 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1Br ZINC000415545834 531493336 /nfs/dbraw/zinc/49/33/36/531493336.db2.gz WSNJZCQKRVRGIP-QWRGUYRKSA-N 1 0 384.274 1.982 20 0 GDADRO COC(=O)c1cc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1Br ZINC000415409609 531484101 /nfs/dbraw/zinc/48/41/01/531484101.db2.gz SWBFXPWXYGIWHL-NSHDSACASA-N 1 0 386.246 1.736 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1ccc(I)cc1 ZINC000415414308 531484119 /nfs/dbraw/zinc/48/41/19/531484119.db2.gz ZTMVKEMEAJKMKZ-SNVBAGLBSA-N 1 0 387.221 1.346 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000415437297 531485900 /nfs/dbraw/zinc/48/59/00/531485900.db2.gz ZINLBGULVKWSOZ-SNVBAGLBSA-N 1 0 375.878 1.172 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000545157085 531488648 /nfs/dbraw/zinc/48/86/48/531488648.db2.gz YQTHNPLFEUMWBV-INIZCTEOSA-N 1 0 379.258 1.431 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415467030 531489006 /nfs/dbraw/zinc/48/90/06/531489006.db2.gz UBCKTZLSKIIRBM-UHFFFAOYSA-N 1 0 390.209 1.167 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000415492138 531491190 /nfs/dbraw/zinc/49/11/90/531491190.db2.gz AOFGZTLJXFQGIM-UHFFFAOYSA-N 1 0 380.905 2.275 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000415543027 531492644 /nfs/dbraw/zinc/49/26/44/531492644.db2.gz WNSGOSJOGUYSKK-UHFFFAOYSA-N 1 0 386.290 1.863 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N[C@@H](C)CC[NH3+])c1 ZINC000415357375 531478188 /nfs/dbraw/zinc/47/81/88/531478188.db2.gz HFGWVWNQKSNQIA-QMMMGPOBSA-N 1 0 391.209 1.937 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000415357636 531478367 /nfs/dbraw/zinc/47/83/67/531478367.db2.gz HLRNQCZUSUBLDV-UHFFFAOYSA-N 1 0 394.273 1.526 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415665892 531510598 /nfs/dbraw/zinc/51/05/98/531510598.db2.gz VIQLCQCTRODSJA-LLVKDONJSA-N 1 0 385.306 1.563 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccccc1Br ZINC000658429379 531510918 /nfs/dbraw/zinc/51/09/18/531510918.db2.gz RFKOSDOUBUWLNP-UHFFFAOYSA-N 1 0 385.306 1.387 20 0 GDADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000581725673 531512387 /nfs/dbraw/zinc/51/23/87/531512387.db2.gz BFGAKGMATRBTHF-UHFFFAOYSA-N 1 0 378.397 1.527 20 0 GDADRO CN(C(=O)CSc1nnnn1CC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000557630552 531512508 /nfs/dbraw/zinc/51/25/08/531512508.db2.gz LBLXHKXRKBLMNA-ZACCUICWSA-N 1 0 378.424 1.411 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415689664 531513625 /nfs/dbraw/zinc/51/36/25/531513625.db2.gz LEUGQLBDYRBEEM-CQSZACIVSA-N 1 0 376.201 1.863 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000658540597 531514698 /nfs/dbraw/zinc/51/46/98/531514698.db2.gz UQDQAZULJJKLFD-UHFFFAOYSA-N 1 0 375.803 1.942 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658540886 531515031 /nfs/dbraw/zinc/51/50/31/531515031.db2.gz DJWIHAKRBFZNSD-UHFFFAOYSA-N 1 0 388.237 1.555 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000581823954 531515417 /nfs/dbraw/zinc/51/54/17/531515417.db2.gz PQZIUNJSRGHUKK-GFCCVEGCSA-N 1 0 388.511 1.219 20 0 GDADRO Cc1c(Cl)cc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000489968215 531515772 /nfs/dbraw/zinc/51/57/72/531515772.db2.gz VZSXKARCOJSZFK-GFCCVEGCSA-N 1 0 378.325 1.970 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CCC[NH2+]1 ZINC000415704815 531516988 /nfs/dbraw/zinc/51/69/88/531516988.db2.gz IFMRBWBXLYUUER-QGZVFWFLSA-N 1 0 398.301 1.889 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1Br ZINC000415705233 531517237 /nfs/dbraw/zinc/51/72/37/531517237.db2.gz IWOBKVIAWASLKE-ZDUSSCGKSA-N 1 0 395.301 1.202 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1F ZINC000490053201 531518484 /nfs/dbraw/zinc/51/84/84/531518484.db2.gz IUXAXKWCLNSJSO-NSHDSACASA-N 1 0 381.495 1.063 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415554181 531494624 /nfs/dbraw/zinc/49/46/24/531494624.db2.gz BAWQASUWDCSBNS-IUCAKERBSA-N 1 0 388.251 1.914 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415554089 531494727 /nfs/dbraw/zinc/49/47/27/531494727.db2.gz HBUMTDZRNFNAII-MNOVXSKESA-N 1 0 384.274 1.913 20 0 GDADRO C[NH+](C)C1(CNC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)CCC1 ZINC000280419470 531494948 /nfs/dbraw/zinc/49/49/48/531494948.db2.gz WUSXZASMWDFBQL-CYBMUJFWSA-N 1 0 383.290 1.759 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415565274 531495645 /nfs/dbraw/zinc/49/56/45/531495645.db2.gz OTJLIIBHTAXMFE-RKDXNWHRSA-N 1 0 388.251 1.927 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)N2CCc3ccc(Br)cc32)CCC[NH2+]C1 ZINC000415575201 531496850 /nfs/dbraw/zinc/49/68/50/531496850.db2.gz FCSLZIROJAGUOK-QGZVFWFLSA-N 1 0 380.286 1.844 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2I)[C@H](C)C[NH2+]1 ZINC000415576145 531497321 /nfs/dbraw/zinc/49/73/21/531497321.db2.gz XXHJEBSUPYVRTO-NXEZZACHSA-N 1 0 387.221 1.439 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415581338 531498364 /nfs/dbraw/zinc/49/83/64/531498364.db2.gz NHYADGWERORGKC-UHTWSYAYSA-N 1 0 396.285 1.982 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000415584760 531498416 /nfs/dbraw/zinc/49/84/16/531498416.db2.gz TUTAXCRRKWKAHH-ZKYQVNSYSA-N 1 0 396.285 1.982 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363684266 531500901 /nfs/dbraw/zinc/50/09/01/531500901.db2.gz XCZZEPCIXQDSMR-KBPBESRZSA-N 1 0 396.285 1.675 20 0 GDADRO COc1ccc(NC(=O)NC[C@H]2C[NH2+]CCO2)c(I)c1 ZINC000415601772 531501426 /nfs/dbraw/zinc/50/14/26/531501426.db2.gz XDIQXFUPLSDLBR-SNVBAGLBSA-N 1 0 391.209 1.410 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000415600228 531501947 /nfs/dbraw/zinc/50/19/47/531501947.db2.gz YANUXEJENJLNJP-MRXNPFEDSA-N 1 0 382.258 1.608 20 0 GDADRO CCC[N@H+](C)[C@H](CNC(=O)CN1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000581613666 531502980 /nfs/dbraw/zinc/50/29/80/531502980.db2.gz RAANCGITFCIUNG-MRXNPFEDSA-N 1 0 387.933 1.875 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccccc1I ZINC000415622369 531504292 /nfs/dbraw/zinc/50/42/92/531504292.db2.gz XWCKBFWCNKJILR-SKDRFNHKSA-N 1 0 387.221 1.344 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccccc1I ZINC000415622366 531504446 /nfs/dbraw/zinc/50/44/46/531504446.db2.gz XWCKBFWCNKJILR-BXKDBHETSA-N 1 0 387.221 1.344 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1Br ZINC000415623811 531504453 /nfs/dbraw/zinc/50/44/53/531504453.db2.gz IFJIIYHWDHJFKR-SNVBAGLBSA-N 1 0 398.257 1.433 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415624145 531505068 /nfs/dbraw/zinc/50/50/68/531505068.db2.gz JPKZOUXNOZFBHC-GFCCVEGCSA-N 1 0 384.249 1.736 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)C2)CC1 ZINC000635735046 531507882 /nfs/dbraw/zinc/50/78/82/531507882.db2.gz GWECCITXSZUUOO-MCIONIFRSA-N 1 0 382.448 1.400 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000295111466 531524043 /nfs/dbraw/zinc/52/40/43/531524043.db2.gz VDOBTWOQQJWIGH-GFCCVEGCSA-N 1 0 389.319 1.823 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cccc(I)c1 ZINC000295128535 531525275 /nfs/dbraw/zinc/52/52/75/531525275.db2.gz XPWCOYBCWVVANQ-GFCCVEGCSA-N 1 0 382.267 1.709 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N(C)CCC[NH3+])cc1I ZINC000581991387 531525414 /nfs/dbraw/zinc/52/54/14/531525414.db2.gz XYLYGZDXVNORDY-UHFFFAOYSA-N 1 0 375.210 1.345 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000415778905 531528668 /nfs/dbraw/zinc/52/86/68/531528668.db2.gz KDQQSQCHHZJGTA-ZWNOBZJWSA-N 1 0 382.258 1.607 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415779759 531528908 /nfs/dbraw/zinc/52/89/08/531528908.db2.gz JYWSHGVTXJPHAZ-NSHDSACASA-N 1 0 394.273 1.817 20 0 GDADRO CN(C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000551099738 531531117 /nfs/dbraw/zinc/53/11/17/531531117.db2.gz SLJOXHCUZMXQNB-LLVKDONJSA-N 1 0 376.404 1.882 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000582052815 531531148 /nfs/dbraw/zinc/53/11/48/531531148.db2.gz YPUXEUOKQJAOBN-LBPRGKRZSA-N 1 0 387.311 1.804 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1I ZINC000415790791 531531354 /nfs/dbraw/zinc/53/13/54/531531354.db2.gz RTWHYLIDEFNSDI-IUCAKERBSA-N 1 0 375.210 1.390 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415788784 531531484 /nfs/dbraw/zinc/53/14/84/531531484.db2.gz OYWRLNIMIFQHRU-QMMMGPOBSA-N 1 0 395.628 1.737 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415828527 531537405 /nfs/dbraw/zinc/53/74/05/531537405.db2.gz FXUWLMKFNITZIH-GFCCVEGCSA-N 1 0 379.766 1.792 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC[C@@H]1[NH3+] ZINC000659076957 531537892 /nfs/dbraw/zinc/53/78/92/531537892.db2.gz IPSCVURXSDRXHI-APPZFPTMSA-N 1 0 376.201 1.862 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)NCCC[N@H+](C)CCOC)s1 ZINC000280772460 531538090 /nfs/dbraw/zinc/53/80/90/531538090.db2.gz JPDBYIZAPSMBBC-UHFFFAOYSA-N 1 0 377.532 1.309 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)CC[NH2+]1 ZINC000415821057 531538185 /nfs/dbraw/zinc/53/81/85/531538185.db2.gz FETIOWXFYSSTGH-UHFFFAOYSA-N 1 0 392.257 1.541 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC12CCOCC2 ZINC000415824252 531538338 /nfs/dbraw/zinc/53/83/38/531538338.db2.gz VQRXFPZWMCBXSW-GFCCVEGCSA-N 1 0 396.285 1.602 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c2cc(Br)ccc21 ZINC000659076796 531538973 /nfs/dbraw/zinc/53/89/73/531538973.db2.gz DDRVUBWBTRIEIS-NSHDSACASA-N 1 0 380.286 1.881 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659079379 531539054 /nfs/dbraw/zinc/53/90/54/531539054.db2.gz SVIZKZKTNXKYEV-MRVPVSSYSA-N 1 0 376.201 1.782 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C[C@H]1[NH3+] ZINC000415831839 531539591 /nfs/dbraw/zinc/53/95/91/531539591.db2.gz FZJJPZUVQVJQCQ-LHLIQPBNSA-N 1 0 378.629 1.986 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659086524 531539906 /nfs/dbraw/zinc/53/99/06/531539906.db2.gz INWOPDXFFFCRAT-QMMMGPOBSA-N 1 0 392.200 1.161 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000611784983 531540263 /nfs/dbraw/zinc/54/02/63/531540263.db2.gz HUVSYLLYLHAJJH-ZIAGYGMSSA-N 1 0 376.475 1.278 20 0 GDADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1)C(F)(F)F ZINC000415834559 531540805 /nfs/dbraw/zinc/54/08/05/531540805.db2.gz KZECEHCZACLGKH-VIFPVBQESA-N 1 0 386.143 1.923 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000364170243 531541040 /nfs/dbraw/zinc/54/10/40/531541040.db2.gz MTAXSEJQDYLKRL-SNVBAGLBSA-N 1 0 375.288 1.725 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415841623 531541984 /nfs/dbraw/zinc/54/19/84/531541984.db2.gz VSMAELPCIPPYSZ-SECBINFHSA-N 1 0 392.200 1.161 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000415844890 531542460 /nfs/dbraw/zinc/54/24/60/531542460.db2.gz ZUOKJLRXDZIHFJ-SNVBAGLBSA-N 1 0 379.766 1.792 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc(OC)c1Br ZINC000659100336 531542782 /nfs/dbraw/zinc/54/27/82/531542782.db2.gz MTIGLVCXSNJEQB-UHFFFAOYSA-N 1 0 398.257 1.355 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@H]2CCC[NH2+]CC2)c1F ZINC000364182630 531543358 /nfs/dbraw/zinc/54/33/58/531543358.db2.gz NFZRYJFIALPITO-JTQLQIEISA-N 1 0 393.278 1.864 20 0 GDADRO CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415849023 531543820 /nfs/dbraw/zinc/54/38/20/531543820.db2.gz VSEHJEHCLXUPMW-ZDUSSCGKSA-N 1 0 387.889 1.316 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCCO1 ZINC000415860580 531544583 /nfs/dbraw/zinc/54/45/83/531544583.db2.gz NGLQCOLPWVVIFF-SNVBAGLBSA-N 1 0 379.766 1.874 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(I)cc1F ZINC000582252274 531545575 /nfs/dbraw/zinc/54/55/75/531545575.db2.gz BUVSVAGAZKQATJ-MRVPVSSYSA-N 1 0 391.184 1.189 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cccc(Cl)c1Br ZINC000415863749 531546773 /nfs/dbraw/zinc/54/67/73/531546773.db2.gz MCOXYKJEYFVBNQ-QMMMGPOBSA-N 1 0 376.638 1.146 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000582295459 531547166 /nfs/dbraw/zinc/54/71/66/531547166.db2.gz NXMWZGRBSADJCZ-LLVKDONJSA-N 1 0 386.265 1.744 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000415878706 531548107 /nfs/dbraw/zinc/54/81/07/531548107.db2.gz NWLIKLWUUGXHDF-SDDRHHMPSA-N 1 0 396.285 1.901 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415872201 531548664 /nfs/dbraw/zinc/54/86/64/531548664.db2.gz RVGABRLICIKIGO-SECBINFHSA-N 1 0 388.251 1.977 20 0 GDADRO O=C(Nc1ccc(I)cc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415873484 531548808 /nfs/dbraw/zinc/54/88/08/531548808.db2.gz VAFOLQZTYNXQPX-LBPRGKRZSA-N 1 0 387.221 1.488 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415893300 531550007 /nfs/dbraw/zinc/55/00/07/531550007.db2.gz MXEDZSUFWLDVPU-VXGBXAGGSA-N 1 0 396.285 1.854 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)s1 ZINC000415996402 531551681 /nfs/dbraw/zinc/55/16/81/531551681.db2.gz MRGZIMVIDWWLFG-UHFFFAOYSA-N 1 0 380.495 1.760 20 0 GDADRO COC[C@@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000280883784 531552127 /nfs/dbraw/zinc/55/21/27/531552127.db2.gz CUXKYMLAJVULCC-MWLCHTKSSA-N 1 0 381.292 1.409 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000659683796 531552498 /nfs/dbraw/zinc/55/24/98/531552498.db2.gz BWGSXQPBOLWQQW-UHFFFAOYSA-N 1 0 386.677 1.668 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000552189845 531552734 /nfs/dbraw/zinc/55/27/34/531552734.db2.gz JICKMIVOQOWYGX-BXUZGUMPSA-N 1 0 380.286 1.979 20 0 GDADRO [NH3+]CCOc1ccc(NC(=O)NCCNS(=O)(=O)c2cccs2)cc1 ZINC000415948554 531552698 /nfs/dbraw/zinc/55/26/98/531552698.db2.gz UMOXHGQRWDQHFI-UHFFFAOYSA-N 1 0 384.483 1.186 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)cc1Br ZINC000415798768 531533272 /nfs/dbraw/zinc/53/32/72/531533272.db2.gz CRYXQZNPDUQVPP-IUCAKERBSA-N 1 0 386.246 1.335 20 0 GDADRO CC[C@H]1CN(C(=O)NC2CC[NH+](CCCOC)CC2)C[C@H](C)S1(=O)=O ZINC000557869666 531534278 /nfs/dbraw/zinc/53/42/78/531534278.db2.gz UBIUHMXYESKIJQ-HOCLYGCPSA-N 1 0 375.535 1.094 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C[C@@H]1[NH3+] ZINC000658974760 531534259 /nfs/dbraw/zinc/53/42/59/531534259.db2.gz ZGPXHIFJFHWQSW-DYEKYZERSA-N 1 0 380.286 1.998 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])sc2c1CCCS2 ZINC000415801312 531534591 /nfs/dbraw/zinc/53/45/91/531534591.db2.gz GIECSMVEFVMGIY-BDAKNGLRSA-N 1 0 385.511 1.754 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636092568 531536489 /nfs/dbraw/zinc/53/64/89/531536489.db2.gz SSDUJTCAHOWMME-GASCZTMLSA-N 1 0 380.286 1.922 20 0 GDADRO CCOC[C@H](C)CS(=O)(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000451147684 531555583 /nfs/dbraw/zinc/55/55/83/531555583.db2.gz OBFYBHLPMPDMAJ-OKZBNKHCSA-N 1 0 375.579 1.479 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000659724856 531557228 /nfs/dbraw/zinc/55/72/28/531557228.db2.gz YPKNJBFQDNKHAN-YPMHNXCESA-N 1 0 380.286 1.856 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000659727544 531557374 /nfs/dbraw/zinc/55/73/74/531557374.db2.gz JNLSIAGCPSFOSV-RYUDHWBXSA-N 1 0 387.311 1.884 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000659714804 531557490 /nfs/dbraw/zinc/55/74/90/531557490.db2.gz NJGNJPYPSSQOCR-OLZOCXBDSA-N 1 0 380.286 1.986 20 0 GDADRO C[C@@]1(NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC[NH2+]C1 ZINC000612908651 531559259 /nfs/dbraw/zinc/55/92/59/531559259.db2.gz GJMPOURZKOBQJY-CQSZACIVSA-N 1 0 395.312 1.323 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000659757191 531559607 /nfs/dbraw/zinc/55/96/07/531559607.db2.gz VUIQRKFNUQIZNK-LKFCYVNXSA-N 1 0 392.258 1.757 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)c1 ZINC000451183651 531562144 /nfs/dbraw/zinc/56/21/44/531562144.db2.gz JGIWUJZLIUFABV-LLVKDONJSA-N 1 0 377.869 1.963 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(Cc2ncsc2Br)CC1 ZINC000659877059 531563133 /nfs/dbraw/zinc/56/31/33/531563133.db2.gz BRXGAYKYRINMRX-UHFFFAOYSA-N 1 0 375.336 1.892 20 0 GDADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636570677 531564115 /nfs/dbraw/zinc/56/41/15/531564115.db2.gz TYMOFOUZDHTNRV-JTQLQIEISA-N 1 0 375.416 1.984 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1Cl ZINC000416052045 531554158 /nfs/dbraw/zinc/55/41/58/531554158.db2.gz UIGYKVYDGJPTKL-NSHDSACASA-N 1 0 387.811 1.822 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000613861971 531573349 /nfs/dbraw/zinc/57/33/49/531573349.db2.gz SWLHUHYPDYSUIA-UHFFFAOYSA-N 1 0 381.278 1.839 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000583389268 531574472 /nfs/dbraw/zinc/57/44/72/531574472.db2.gz HBKLQZUYRMVSGO-CYBMUJFWSA-N 1 0 389.905 1.170 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCOC1(C)C ZINC000451240994 531575879 /nfs/dbraw/zinc/57/58/79/531575879.db2.gz JJDYWSDLWHCDRF-MRXNPFEDSA-N 1 0 389.539 1.801 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC12CCOCC2 ZINC000583442140 531576090 /nfs/dbraw/zinc/57/60/90/531576090.db2.gz SKWQEWXHOQKABM-CYBMUJFWSA-N 1 0 386.901 1.328 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CSCC(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000583511104 531579723 /nfs/dbraw/zinc/57/97/23/531579723.db2.gz PTTUEWJSJVDKJY-KGLIPLIRSA-N 1 0 381.885 1.026 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000583585419 531584343 /nfs/dbraw/zinc/58/43/43/531584343.db2.gz YWEAOJKGMKRJIF-LBPRGKRZSA-N 1 0 385.306 1.869 20 0 GDADRO O=C(N[C@H]1COC[C@H]1O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000636934041 531585454 /nfs/dbraw/zinc/58/54/54/531585454.db2.gz FBQFMJQEJQCFFF-JKSUJKDBSA-N 1 0 398.301 1.472 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)CCN2C1=O ZINC000583642016 531587669 /nfs/dbraw/zinc/58/76/69/531587669.db2.gz LQDQDGUWQNBODL-OLZOCXBDSA-N 1 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O=C(c1ccsc1)N1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662515923 531682037 /nfs/dbraw/zinc/68/20/37/531682037.db2.gz UHDVZZBDDGAVSK-OAHLLOKOSA-N 1 0 375.416 1.965 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000618308374 531682283 /nfs/dbraw/zinc/68/22/83/531682283.db2.gz IFDCBPMDEANYSG-UHFFFAOYSA-N 1 0 396.289 1.417 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000662524516 531684225 /nfs/dbraw/zinc/68/42/25/531684225.db2.gz XRABHBXBTUBGPN-RISCZKNCSA-N 1 0 386.279 1.642 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3[NH2+]CCC3(C)C)CC2)c(C)s1 ZINC000662543989 531685424 /nfs/dbraw/zinc/68/54/24/531685424.db2.gz XLLWUZDNKHKDLI-OAHLLOKOSA-N 1 0 385.555 1.586 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000365801692 531685905 /nfs/dbraw/zinc/68/59/05/531685905.db2.gz XXJBCTDJMZOQET-DTWKUNHWSA-N 1 0 378.376 1.080 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000662553306 531687501 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GDADRO Cc1cc(Br)cc(C)c1CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000269639265 531701929 /nfs/dbraw/zinc/70/19/29/531701929.db2.gz RCFQVJCALOOOBS-CYBMUJFWSA-N 1 0 377.304 1.444 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1CC3CC1(C[NH3+])C3)CC2 ZINC000662943787 531702249 /nfs/dbraw/zinc/70/22/49/531702249.db2.gz CRLOEONWCKGXJT-UHFFFAOYSA-N 1 0 392.297 1.592 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000269639267 531702272 /nfs/dbraw/zinc/70/22/72/531702272.db2.gz RCFQVJCALOOOBS-ZDUSSCGKSA-N 1 0 377.304 1.444 20 0 GDADRO C[N@H+](CCC(=O)N1CCOCC1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639917779 531707614 /nfs/dbraw/zinc/70/76/14/531707614.db2.gz GYSJYNUEYHUQSD-OAHLLOKOSA-N 1 0 391.295 1.914 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000591123876 531708178 /nfs/dbraw/zinc/70/81/78/531708178.db2.gz VIGISTQBHIFYIA-CQSZACIVSA-N 1 0 379.507 1.962 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000591436197 531724130 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GDADRO Cc1ncc([C@H](C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)s1 ZINC000639994774 531715593 /nfs/dbraw/zinc/71/55/93/531715593.db2.gz FDMIIXPYIDNIQC-NSHDSACASA-N 1 0 382.511 1.991 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1Cl ZINC000663611643 531716602 /nfs/dbraw/zinc/71/66/02/531716602.db2.gz LRMASNQGZHNSQQ-INIZCTEOSA-N 1 0 390.267 1.825 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663613903 531716624 /nfs/dbraw/zinc/71/66/24/531716624.db2.gz XBKPWVJNOQNMNW-AWEZNQCLSA-N 1 0 390.665 1.918 20 0 GDADRO O[C@H](COc1ccc(Cl)cc1Br)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000619725522 531717226 /nfs/dbraw/zinc/71/72/26/531717226.db2.gz VVEZRQGLECTVQF-GVXVVHGQSA-N 1 0 375.694 1.993 20 0 GDADRO C[C@H](NC(=O)CCOc1cccc(Br)c1)C(=O)NCC[NH+](C)C ZINC000561719988 531720747 /nfs/dbraw/zinc/72/07/47/531720747.db2.gz GDCGAYDTJDZLPF-LBPRGKRZSA-N 1 0 386.290 1.401 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000269708003 531721197 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CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)s1 ZINC000416910162 531744176 /nfs/dbraw/zinc/74/41/76/531744176.db2.gz HDKCHELYQJAKMG-OLZOCXBDSA-N 1 0 388.559 1.670 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]([NH2+]C)C2)s1 ZINC000416913052 531744358 /nfs/dbraw/zinc/74/43/58/531744358.db2.gz KGZUDHZUYIPLOY-CYBMUJFWSA-N 1 0 388.559 1.672 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000416915571 531746537 /nfs/dbraw/zinc/74/65/37/531746537.db2.gz MQJGAUBUZBVQHI-JSGCOSHPSA-N 1 0 388.559 1.657 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000416947604 531747977 /nfs/dbraw/zinc/74/79/77/531747977.db2.gz JHSITNBXFGIMCI-GFCCVEGCSA-N 1 0 376.910 1.435 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000416943298 531748087 /nfs/dbraw/zinc/74/80/87/531748087.db2.gz FHYQUODVSVXTHD-GXTWGEPZSA-N 1 0 388.921 1.435 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000416963643 531750046 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[NH3+]C[C@@H]1CC[C@H](NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000418148528 531804853 /nfs/dbraw/zinc/80/48/53/531804853.db2.gz OALFHWISXYFFJW-OLZOCXBDSA-N 1 0 388.921 1.435 20 0 GDADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1c(F)cc(Br)cc1F ZINC000563102414 531806799 /nfs/dbraw/zinc/80/67/99/531806799.db2.gz YARSLWMSCSPXCL-UHFFFAOYSA-N 1 0 387.188 1.507 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000453022006 531807112 /nfs/dbraw/zinc/80/71/12/531807112.db2.gz CATONQHOTZXONA-KCXAZCMYSA-N 1 0 392.297 1.965 20 0 GDADRO NS(=O)(=O)c1ccsc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000668780523 531807554 /nfs/dbraw/zinc/80/75/54/531807554.db2.gz RMLMQHLALHENLX-CQSZACIVSA-N 1 0 379.507 1.790 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418161501 531808145 /nfs/dbraw/zinc/80/81/45/531808145.db2.gz TVHZMQGTLJBQCR-VXGBXAGGSA-N 1 0 392.884 1.327 20 0 GDADRO CC[NH2+]CCNC(=O)NCCOc1ccc(I)cc1 ZINC000418157546 531808388 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20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(Br)cn1 ZINC000418870377 531859111 /nfs/dbraw/zinc/85/91/11/531859111.db2.gz RZCRCRHKASWLQL-AUZPSNTRSA-N 1 0 395.301 1.607 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000642433179 531860465 /nfs/dbraw/zinc/86/04/65/531860465.db2.gz NYKQTOXHRWVPPH-UHFFFAOYSA-N 1 0 380.286 1.465 20 0 GDADRO O=C(NCC1(c2ccccc2Br)CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642742708 531863067 /nfs/dbraw/zinc/86/30/67/531863067.db2.gz AKERNBIZOWLOLU-ZDUSSCGKSA-N 1 0 394.313 1.855 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642712842 531863274 /nfs/dbraw/zinc/86/32/74/531863274.db2.gz TUCVBYHGEVYOCT-SWLSCSKDSA-N 1 0 398.301 1.257 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000642742733 531863474 /nfs/dbraw/zinc/86/34/74/531863474.db2.gz DZHPWNLBAABFOX-ZDUSSCGKSA-N 1 0 394.313 1.855 20 0 GDADRO CN(C(=O)C(=O)NCCc1cc(Br)ccc1F)C1CC[NH2+]CC1 ZINC000418919624 531863561 /nfs/dbraw/zinc/86/35/61/531863561.db2.gz GAYQMJAXLCOMGO-UHFFFAOYSA-N 1 0 386.265 1.457 20 0 GDADRO COC(=O)c1sc(C)cc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000594983487 531863992 /nfs/dbraw/zinc/86/39/92/531863992.db2.gz NMILOGHRWLSLBC-MRXNPFEDSA-N 1 0 385.511 1.335 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418931242 531864556 /nfs/dbraw/zinc/86/45/56/531864556.db2.gz CAEMDZUENXXYSV-SWLSCSKDSA-N 1 0 398.301 1.672 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)C[C@H]1C[NH3+] ZINC000418929606 531865012 /nfs/dbraw/zinc/86/50/12/531865012.db2.gz FQQJLGRUULTTDQ-ZYHUDNBSSA-N 1 0 386.265 1.648 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Br)c1 ZINC000367797887 531865417 /nfs/dbraw/zinc/86/54/17/531865417.db2.gz MZQOYBPFGAAVLR-GWCFXTLKSA-N 1 0 375.288 1.830 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418931888 531865767 /nfs/dbraw/zinc/86/57/67/531865767.db2.gz GPBGZKGMOVLGTQ-CYBMUJFWSA-N 1 0 396.329 1.959 20 0 GDADRO CCOC(=O)c1sc2ncc(S(=O)(=O)N(C)[C@@H]3CC[NH2+]C3)cc2c1C ZINC000564958591 531871118 /nfs/dbraw/zinc/87/11/18/531871118.db2.gz VXMNXEDSBQKPFZ-LLVKDONJSA-N 1 0 383.495 1.764 20 0 GDADRO C[C@]1(CNC(=O)C(=O)NCCOc2cccc(Br)c2)CCC[NH2+]C1 ZINC000418948735 531871137 /nfs/dbraw/zinc/87/11/37/531871137.db2.gz NQWLQOOHJPWGIC-KRWDZBQOSA-N 1 0 398.301 1.450 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(I)c1 ZINC000595244795 531871920 /nfs/dbraw/zinc/87/19/20/531871920.db2.gz MUYNSOYVOJEHAD-SECBINFHSA-N 1 0 375.210 1.262 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000595245813 531872476 /nfs/dbraw/zinc/87/24/76/531872476.db2.gz WUOJKIJALRWBDS-ZETCQYMHSA-N 1 0 395.628 1.607 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)[C@H]1CCOC1)c1cccc(Br)c1 ZINC000564974615 531872973 /nfs/dbraw/zinc/87/29/73/531872973.db2.gz GVPLLIODGDBWPF-FZMZJTMJSA-N 1 0 378.288 1.210 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418975651 531874389 /nfs/dbraw/zinc/87/43/89/531874389.db2.gz RDJXKPMEBHLZPN-JTQLQIEISA-N 1 0 394.273 1.152 20 0 GDADRO O=S1(=O)CCN(C2CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC2)CC1 ZINC000367893746 531874517 /nfs/dbraw/zinc/87/45/17/531874517.db2.gz ZMWKMNDHCAQIHD-SFHVURJKSA-N 1 0 386.945 1.438 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418982460 531875805 /nfs/dbraw/zinc/87/58/05/531875805.db2.gz AVZGQHUTRHHWSQ-SQWLQELKSA-N 1 0 394.313 1.612 20 0 GDADRO [NH3+]C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C1CCCC1 ZINC000566062697 531876550 /nfs/dbraw/zinc/87/65/50/531876550.db2.gz DWVSEVOBGWYMNF-HNNXBMFYSA-N 1 0 385.555 1.709 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000419001256 531877538 /nfs/dbraw/zinc/87/75/38/531877538.db2.gz AACQQAYCBIZZHG-GVXVVHGQSA-N 1 0 398.301 1.831 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000419002895 531879373 /nfs/dbraw/zinc/87/93/73/531879373.db2.gz ZRFPLUYZTNXRRY-RISCZKNCSA-N 1 0 398.301 1.337 20 0 GDADRO C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1CSCCS1)Cc1ccccc1 ZINC000283620579 531880122 /nfs/dbraw/zinc/88/01/22/531880122.db2.gz WCIZVGYHYTZUTE-MRXNPFEDSA-N 1 0 381.567 1.590 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCC[NH+]1CCC(C)CC1)c1ccc(Br)cn1 ZINC000283631275 531880603 /nfs/dbraw/zinc/88/06/03/531880603.db2.gz ABXHSYBJPMICEQ-CYBMUJFWSA-N 1 0 397.317 1.869 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000566107805 531881142 /nfs/dbraw/zinc/88/11/42/531881142.db2.gz AFCDGRANVXOKBX-LBPRGKRZSA-N 1 0 385.313 1.651 20 0 GDADRO [NH3+]CC[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C(F)F ZINC000566250516 531882173 /nfs/dbraw/zinc/88/21/73/531882173.db2.gz IPADGCDCVVOCGE-JTQLQIEISA-N 1 0 379.201 1.862 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419027056 531883432 /nfs/dbraw/zinc/88/34/32/531883432.db2.gz VKWOSTJGVMVKHB-MFKMUULPSA-N 1 0 384.274 1.361 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419029946 531883881 /nfs/dbraw/zinc/88/38/81/531883881.db2.gz YZFAIZXVEDBEHR-OCCSQVGLSA-N 1 0 396.285 1.647 20 0 GDADRO CS(=O)(=O)N1CC[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000566317894 531884111 /nfs/dbraw/zinc/88/41/11/531884111.db2.gz JZYFIZRYHQWEOR-UONOGXRCSA-N 1 0 386.543 1.218 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCOc2cccc(Br)c2)C[C@@H](C)[NH2+]1 ZINC000418944594 531869583 /nfs/dbraw/zinc/86/95/83/531869583.db2.gz IUJOYSHIKAHZPY-VXGBXAGGSA-N 1 0 384.274 1.153 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418947317 531870222 /nfs/dbraw/zinc/87/02/22/531870222.db2.gz LWNNYGRHKSOAPJ-GFCCVEGCSA-N 1 0 384.274 1.060 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(Br)c2Cl)CC[C@@H]1[NH3+] ZINC000419048470 531891129 /nfs/dbraw/zinc/89/11/29/531891129.db2.gz ACVJLJNKZAPGEB-SKDRFNHKSA-N 1 0 388.693 1.914 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419050509 531891186 /nfs/dbraw/zinc/89/11/86/531891186.db2.gz DDFKSONECUTQQA-PWSUYJOCSA-N 1 0 386.265 1.585 20 0 GDADRO C[C@@H]1CCC[C@H](C)CN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH]cn1 ZINC000566690417 531891425 /nfs/dbraw/zinc/89/14/25/531891425.db2.gz PSLOZENZSJRJNG-UONOGXRCSA-N 1 0 392.547 1.772 20 0 GDADRO CC[C@H]1CN(C(=O)CN2c3ccc(Br)cc3OCC2=O)CC[C@H]1[NH3+] ZINC000647006379 531892356 /nfs/dbraw/zinc/89/23/56/531892356.db2.gz PFDKTBQYAFSODN-WCQYABFASA-N 1 0 396.285 1.760 20 0 GDADRO CN(C(=O)C(=O)NCc1cccc(Br)c1Cl)C1CC[NH2+]CC1 ZINC000419052151 531892344 /nfs/dbraw/zinc/89/23/44/531892344.db2.gz HNYQQYYRWKDXLJ-UHFFFAOYSA-N 1 0 388.693 1.929 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000368111252 531892460 /nfs/dbraw/zinc/89/24/60/531892460.db2.gz XHNYGZWWQUAKOQ-OAHLLOKOSA-N 1 0 386.539 1.409 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000419051730 531892918 /nfs/dbraw/zinc/89/29/18/531892918.db2.gz GQCJKSUAYMLJNU-YGRLFVJLSA-N 1 0 388.281 1.735 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000283774721 531893201 /nfs/dbraw/zinc/89/32/01/531893201.db2.gz RYMIBXKKZCLEKL-NSHDSACASA-N 1 0 379.404 1.052 20 0 GDADRO O=S(=O)(CCC(F)(F)F)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000283777244 531893634 /nfs/dbraw/zinc/89/36/34/531893634.db2.gz BZTCVHYIZCYQSC-UHFFFAOYSA-N 1 0 380.436 1.466 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419055594 531894238 /nfs/dbraw/zinc/89/42/38/531894238.db2.gz ONYYUIVNOZTWRF-YMTOWFKASA-N 1 0 386.265 1.489 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000419083493 531899612 /nfs/dbraw/zinc/89/96/12/531899612.db2.gz KFXWFALREILBGP-UHFFFAOYSA-N 1 0 388.295 1.575 20 0 GDADRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2c(Br)cc3[nH]c(=O)oc3c2Cl)C1 ZINC000647272377 531894511 /nfs/dbraw/zinc/89/45/11/531894511.db2.gz NBWLQNZBVJQWQI-SYDPRGILSA-N 1 0 396.650 1.717 20 0 GDADRO C[C@H]([NH3+])CNS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000647273538 531894606 /nfs/dbraw/zinc/89/46/06/531894606.db2.gz WCSVUSVDNVJRGD-BYPYZUCNSA-N 1 0 384.639 1.575 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)[C@@H]1C ZINC000567387981 531894790 /nfs/dbraw/zinc/89/47/90/531894790.db2.gz RTGMFXOBGQCESH-GHMZBOCLSA-N 1 0 375.288 1.432 20 0 GDADRO O=C1NC(=O)C2(CC[NH+](Cc3ccc(I)cc3)CC2)N1 ZINC000270561067 531894825 /nfs/dbraw/zinc/89/48/25/531894825.db2.gz XJRBYVBFIJRSKL-UHFFFAOYSA-N 1 0 385.205 1.465 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000368126587 531894862 /nfs/dbraw/zinc/89/48/62/531894862.db2.gz SQFKOVVKARSUQA-OAHLLOKOSA-N 1 0 386.539 1.490 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419057307 531895048 /nfs/dbraw/zinc/89/50/48/531895048.db2.gz UHKWBZUSADVXLK-GZBFAFLISA-N 1 0 396.329 1.940 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cn1 ZINC000283783610 531895354 /nfs/dbraw/zinc/89/53/54/531895354.db2.gz VCXGMYCLTZTCSZ-YUTCNCBUSA-N 1 0 395.301 1.716 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419057101 531895453 /nfs/dbraw/zinc/89/54/53/531895453.db2.gz SZLGGYUEYFFHGF-PXAZEXFGSA-N 1 0 382.302 1.694 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000419062761 531895788 /nfs/dbraw/zinc/89/57/88/531895788.db2.gz GBGMMMFYKBMHKP-CYBMUJFWSA-N 1 0 382.302 1.880 20 0 GDADRO [NH3+]C1CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000647727084 531896275 /nfs/dbraw/zinc/89/62/75/531896275.db2.gz HOFRDACEELDLML-UHFFFAOYSA-N 1 0 380.297 1.658 20 0 GDADRO CC(=O)N[C@H](CC(=O)N[C@H](CO)C[NH+](C)C)c1ccc(Br)cc1 ZINC000647710007 531896841 /nfs/dbraw/zinc/89/68/41/531896841.db2.gz HEGHFLJCYULYED-LSDHHAIUSA-N 1 0 386.290 1.055 20 0 GDADRO [NH3+]CCN(CCO)C(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000419090768 531899210 /nfs/dbraw/zinc/89/92/10/531899210.db2.gz CFOLPVLFDFVXKZ-UHFFFAOYSA-N 1 0 394.324 1.122 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419037637 531886327 /nfs/dbraw/zinc/88/63/27/531886327.db2.gz IVAUDHWSIRWQSH-SMDDNHRTSA-N 1 0 396.285 1.729 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1sc2c(c1I)CNC2 ZINC000595963518 531899391 /nfs/dbraw/zinc/89/93/91/531899391.db2.gz MCLGDZJRERCUHT-RNFRBKRXSA-N 1 0 379.267 1.812 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419042151 531887144 /nfs/dbraw/zinc/88/71/44/531887144.db2.gz KXWYDVPHPOWAEJ-VHSXEESVSA-N 1 0 378.420 1.927 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)NCc1cc(Br)ccc1OC ZINC000283714493 531887258 /nfs/dbraw/zinc/88/72/58/531887258.db2.gz JYXMPESISVVYPH-UHFFFAOYSA-N 1 0 386.290 1.532 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000419040872 531887501 /nfs/dbraw/zinc/88/75/01/531887501.db2.gz JIPUHVSYIKSTJC-AEJSXWLSSA-N 1 0 378.420 1.925 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000674048498 531888521 /nfs/dbraw/zinc/88/85/21/531888521.db2.gz TUPUURIPEWISRB-CYBMUJFWSA-N 1 0 390.347 1.677 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000419042838 531888621 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385.511 1.709 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419781021 531969020 /nfs/dbraw/zinc/96/90/20/531969020.db2.gz PERYAWUGFAUCGF-SDDRHHMPSA-N 1 0 398.301 1.831 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419785586 531969325 /nfs/dbraw/zinc/96/93/25/531969325.db2.gz XBQMAEYSMXHKOE-GWCFXTLKSA-N 1 0 386.290 1.734 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419803205 531970159 /nfs/dbraw/zinc/97/01/59/531970159.db2.gz CBWXSKOEIJONCW-LBPRGKRZSA-N 1 0 382.302 1.707 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC[NH2+]CCOC ZINC000271142770 531972036 /nfs/dbraw/zinc/97/20/36/531972036.db2.gz OTDYXQVHNIKGDC-AWEZNQCLSA-N 1 0 388.555 1.703 20 0 GDADRO CC[NH+]1CCC(CNC(=O)C(=O)NCc2ccsc2Br)CC1 ZINC000572992134 531972897 /nfs/dbraw/zinc/97/28/97/531972897.db2.gz DGSFQTRNFVIFKF-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000299278115 531974121 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GDADRO COc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000274713342 532227065 /nfs/dbraw/zinc/22/70/65/532227065.db2.gz BEIAXCFQSSUWFJ-YOEHRIQHSA-N 1 0 386.539 1.904 20 0 GDADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376730452 532227135 /nfs/dbraw/zinc/22/71/35/532227135.db2.gz SYTYVGZXSZNZDJ-ZDUSSCGKSA-N 1 0 378.325 1.803 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)CCc2scnc2C)C[C@H]1[NH+]1CCCC1 ZINC000333268262 532227757 /nfs/dbraw/zinc/22/77/57/532227757.db2.gz CAHRTZDLTNEKFR-HIFRSBDPSA-N 1 0 375.585 1.835 20 0 GDADRO O=C(NCCCn1cc(Br)cn1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000376771249 532228089 /nfs/dbraw/zinc/22/80/89/532228089.db2.gz GSOZGXRJHVUTTG-ZIAGYGMSSA-N 1 0 386.294 1.198 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000429449903 532228592 /nfs/dbraw/zinc/22/85/92/532228592.db2.gz KTDCOCXGUJWUOO-CQSZACIVSA-N 1 0 381.420 1.995 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333300905 532228676 /nfs/dbraw/zinc/22/86/76/532228676.db2.gz IXCYEPWHLYZODB-CHWSQXEVSA-N 1 0 395.301 1.947 20 0 GDADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000429437158 532228837 /nfs/dbraw/zinc/22/88/37/532228837.db2.gz ZHTACLIDFKFING-IAGOWNOFSA-N 1 0 389.539 1.552 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000333321591 532229710 /nfs/dbraw/zinc/22/97/10/532229710.db2.gz UOGHBERVLLODTK-UHFFFAOYSA-N 1 0 375.288 1.974 20 0 GDADRO C[NH+]1CCC(n2ccc(NC(=O)NCCn3cc(Br)cn3)n2)CC1 ZINC000376612756 532221964 /nfs/dbraw/zinc/22/19/64/532221964.db2.gz NFHHAOSXGKSXNZ-UHFFFAOYSA-N 1 0 396.293 1.931 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000429037005 532222129 /nfs/dbraw/zinc/22/21/29/532222129.db2.gz SHBFWZNEYYBKRU-QMTHXVAHSA-N 1 0 395.294 1.493 20 0 GDADRO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N[C@@H]1CC[NH2+]C1 ZINC000333163066 532222460 /nfs/dbraw/zinc/22/24/60/532222460.db2.gz OIIVFXFIOPDCGS-CYBMUJFWSA-N 1 0 386.905 1.998 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000429137164 532223765 /nfs/dbraw/zinc/22/37/65/532223765.db2.gz BIDIUYCQDMIRRW-RISCZKNCSA-N 1 0 391.331 1.958 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2nc3c(s2)CSCC3)C1 ZINC000376685920 532224285 /nfs/dbraw/zinc/22/42/85/532224285.db2.gz HJBSLZCDGXYLAL-LBPRGKRZSA-N 1 0 382.555 1.965 20 0 GDADRO O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376722367 532225918 /nfs/dbraw/zinc/22/59/18/532225918.db2.gz ISZYUOJMASSNAX-LBPRGKRZSA-N 1 0 395.472 1.967 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C(F)(F)F)cs2)C[N@@H+]1C1CC1 ZINC000287593073 532226715 /nfs/dbraw/zinc/22/67/15/532226715.db2.gz HHPPKELRSXKVTO-RKDXNWHRSA-N 1 0 376.404 1.520 20 0 GDADRO O=C(Cc1ccc(Br)cc1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333562074 532240353 /nfs/dbraw/zinc/24/03/53/532240353.db2.gz WOZSYUVXVCDCPG-MRXNPFEDSA-N 1 0 394.313 1.805 20 0 GDADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cccc3c1OC(F)(F)O3)CCO2 ZINC000333584802 532240795 /nfs/dbraw/zinc/24/07/95/532240795.db2.gz AFGRWBZPRVXRLC-WFASDCNBSA-N 1 0 375.393 1.834 20 0 GDADRO Cc1nc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1Br ZINC000333629104 532242229 /nfs/dbraw/zinc/24/22/29/532242229.db2.gz VNWYVYDJDBZVJH-WCQYABFASA-N 1 0 379.262 1.845 20 0 GDADRO O=S(=O)(C1CC[NH+](C[C@@H](O)COCc2cccs2)CC1)N1CCCC1 ZINC000377119441 532242621 /nfs/dbraw/zinc/24/26/21/532242621.db2.gz JIJGVIGVAFZVHC-OAHLLOKOSA-N 1 0 388.555 1.516 20 0 GDADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Br ZINC000333653411 532243957 /nfs/dbraw/zinc/24/39/57/532243957.db2.gz KFONGEFNPMAYSA-MFKMUULPSA-N 1 0 375.288 1.830 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CCCO1 ZINC000333710963 532245623 /nfs/dbraw/zinc/24/56/23/532245623.db2.gz SHGLOXQNZNDZLB-GFCCVEGCSA-N 1 0 391.287 1.122 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000333734946 532247793 /nfs/dbraw/zinc/24/77/93/532247793.db2.gz IEZYDLICSCONMM-KGLIPLIRSA-N 1 0 386.543 1.295 20 0 GDADRO O=C([C@H]1SCCc2sccc21)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333755226 532248570 /nfs/dbraw/zinc/24/85/70/532248570.db2.gz NWRAFWPBTAMLOV-DYVFJYSZSA-N 1 0 379.551 1.891 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC[NH2+]1 ZINC000333769925 532249458 /nfs/dbraw/zinc/24/94/58/532249458.db2.gz BWLQMGUNQHCZFE-NXEZZACHSA-N 1 0 378.424 1.529 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@H]1C ZINC000333787796 532250019 /nfs/dbraw/zinc/25/00/19/532250019.db2.gz LZDBMSOKWJPNBS-HZSPNIEDSA-N 1 0 386.543 1.293 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000333822545 532251312 /nfs/dbraw/zinc/25/13/12/532251312.db2.gz RJLPWGZYOASTMV-HZSPNIEDSA-N 1 0 386.543 1.280 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000333860427 532252282 /nfs/dbraw/zinc/25/22/82/532252282.db2.gz RXTYFGHSQXXDCU-NSHDSACASA-N 1 0 392.934 1.169 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000430636340 532252593 /nfs/dbraw/zinc/25/25/93/532252593.db2.gz XVVKLMBKTFUYPQ-LBPRGKRZSA-N 1 0 383.290 1.317 20 0 GDADRO C[NH2+][C@H]1CCN(CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000430614919 532253265 /nfs/dbraw/zinc/25/32/65/532253265.db2.gz AMQCGQXVFZKTEN-AWEZNQCLSA-N 1 0 397.317 1.448 20 0 GDADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCOC2(C[NH2+]C2)C1 ZINC000333469552 532237483 /nfs/dbraw/zinc/23/74/83/532237483.db2.gz AFDPHFBAAIHXJO-GFCCVEGCSA-N 1 0 386.221 1.406 20 0 GDADRO Cc1cnc(N2CC[S@](=O)C[C@H](C)C2)nc1N1CC[S@@](=O)C[C@H](C)C1 ZINC000333507275 532238874 /nfs/dbraw/zinc/23/88/74/532238874.db2.gz WOIMSBIKLRXGQQ-VUYKBKSVSA-N 1 0 384.571 1.195 20 0 GDADRO CSCC[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430728618 532256074 /nfs/dbraw/zinc/25/60/74/532256074.db2.gz CYXXOVPARBHKNH-GXSJLCMTSA-N 1 0 397.360 1.861 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c(OC)c1 ZINC000275041333 532256133 /nfs/dbraw/zinc/25/61/33/532256133.db2.gz FLCGMZCSVFLBNK-MRXNPFEDSA-N 1 0 390.527 1.428 20 0 GDADRO O=C(C[C@H]1C[NH2+]CCO1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000430843723 532256825 /nfs/dbraw/zinc/25/68/25/532256825.db2.gz FPVPWSDVVIBLSR-LBPRGKRZSA-N 1 0 379.507 1.626 20 0 GDADRO C[NH2+]C[C@H]1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430970990 532258440 /nfs/dbraw/zinc/25/84/40/532258440.db2.gz LXYSGEOVVGAHLZ-CQSZACIVSA-N 1 0 384.318 1.828 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000333942633 532259127 /nfs/dbraw/zinc/25/91/27/532259127.db2.gz QDPNLWAEJILFBP-UHFFFAOYSA-N 1 0 396.289 1.457 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000431052354 532259928 /nfs/dbraw/zinc/25/99/28/532259928.db2.gz WJMAOMHKWURDSN-XJKSGUPXSA-N 1 0 382.302 1.770 20 0 GDADRO CCCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC[NH2+]CC1 ZINC000431099285 532261008 /nfs/dbraw/zinc/26/10/08/532261008.db2.gz IVVOOVIJUHFUFC-UHFFFAOYSA-N 1 0 388.921 1.390 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377567172 532263613 /nfs/dbraw/zinc/26/36/13/532263613.db2.gz YYRVPYQXBBARGL-AWEZNQCLSA-N 1 0 377.919 1.282 20 0 GDADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)CCCO1 ZINC000288167728 532269003 /nfs/dbraw/zinc/26/90/03/532269003.db2.gz PWZSECFUMCEZLB-CYBMUJFWSA-N 1 0 387.933 1.977 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](CCNS(C)(=O)=O)CC2)C1 ZINC000377715081 532269483 /nfs/dbraw/zinc/26/94/83/532269483.db2.gz COTTWTQYXNHYDM-HNNXBMFYSA-N 1 0 375.535 1.505 20 0 GDADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccnc1Br ZINC000288238165 532274732 /nfs/dbraw/zinc/27/47/32/532274732.db2.gz SBKJTNIZKYGHOD-DGCLKSJQSA-N 1 0 381.274 1.868 20 0 GDADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000431895751 532276058 /nfs/dbraw/zinc/27/60/58/532276058.db2.gz GSRNYDDAMQYXNW-GDBMZVCRSA-N 1 0 380.576 1.384 20 0 GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000288255157 532276774 /nfs/dbraw/zinc/27/67/74/532276774.db2.gz TVJBYLIKYWEKNH-WCQYABFASA-N 1 0 381.274 1.868 20 0 GDADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377989705 532278660 /nfs/dbraw/zinc/27/86/60/532278660.db2.gz DWNXSUIPGTUFAI-IUCAKERBSA-N 1 0 381.242 1.957 20 0 GDADRO CS[C@H]1CN(C(=O)CSc2nnc3ccccn32)C[C@H]1[NH+]1CCCC1 ZINC000275233501 532279520 /nfs/dbraw/zinc/27/95/20/532279520.db2.gz FOQKSUVHFZMCLB-KGLIPLIRSA-N 1 0 377.539 1.860 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000288210612 532272504 /nfs/dbraw/zinc/27/25/04/532272504.db2.gz SDZDTDBCOAFWPF-UHFFFAOYSA-N 1 0 380.436 1.621 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000275396615 532292739 /nfs/dbraw/zinc/29/27/39/532292739.db2.gz NTOIRFMPAFQUGG-IUODEOHRSA-N 1 0 390.527 1.379 20 0 GDADRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccc(I)cc1 ZINC000385442751 532295727 /nfs/dbraw/zinc/29/57/27/532295727.db2.gz HTGYYCQJPKOLAC-UHFFFAOYSA-N 1 0 380.251 1.793 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1Br ZINC000385016222 532295862 /nfs/dbraw/zinc/29/58/62/532295862.db2.gz XCQWCEMTWGQTNO-YABSGUDNSA-N 1 0 375.288 1.638 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccc(Br)cn1 ZINC000288546754 532295889 /nfs/dbraw/zinc/29/58/89/532295889.db2.gz JRDVAOIHYCIMDX-VXGBXAGGSA-N 1 0 395.301 1.788 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cncc(I)c1 ZINC000288670209 532302248 /nfs/dbraw/zinc/30/22/48/532302248.db2.gz HNFCWYUOSRHTGE-UHFFFAOYSA-N 1 0 390.269 1.300 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2c(Br)cccc2=O)C1 ZINC000289483513 532325793 /nfs/dbraw/zinc/32/57/93/532325793.db2.gz IORDQUBGZYQGRQ-CYBMUJFWSA-N 1 0 386.290 1.084 20 0 GDADRO Cc1csc([C@](O)(CC(=O)NCC[N@@H+]2CCCOCC2)C(F)(F)F)n1 ZINC000275794616 532310423 /nfs/dbraw/zinc/31/04/23/532310423.db2.gz HNJPAZCQMMAQOO-CQSZACIVSA-N 1 0 381.420 1.430 20 0 GDADRO C[N@H+](C[C@H](O)CN1CCNC(=O)[C@H]1c1ccc(Br)cc1)C1CC1 ZINC000289312631 532321687 /nfs/dbraw/zinc/32/16/87/532321687.db2.gz BKGLZEFBYSRIDI-JKSUJKDBSA-N 1 0 382.302 1.377 20 0 GDADRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)nc1 ZINC000289527484 532326935 /nfs/dbraw/zinc/32/69/35/532326935.db2.gz AAGCHIJSBCDUBD-DZGCQCFKSA-N 1 0 397.317 1.428 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000289594357 532328600 /nfs/dbraw/zinc/32/86/00/532328600.db2.gz FOMAVJUSBQBKTE-QWHCGFSZSA-N 1 0 387.889 1.203 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000289594362 532328628 /nfs/dbraw/zinc/32/86/28/532328628.db2.gz FOMAVJUSBQBKTE-STQMWFEESA-N 1 0 387.889 1.203 20 0 GDADRO OCc1cn(CCC[NH2+]Cc2cn(-c3ccccc3Br)nn2)nn1 ZINC000289697416 532330886 /nfs/dbraw/zinc/33/08/86/532330886.db2.gz DFUGKJOVDKNEAP-UHFFFAOYSA-N 1 0 392.261 1.294 20 0 GDADRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000289809125 532332660 /nfs/dbraw/zinc/33/26/60/532332660.db2.gz ZQIJKOOBAPYISY-HUUCEWRRSA-N 1 0 382.302 1.929 20 0 GDADRO OCc1cn(CCC[NH2+]Cc2ncc(I)s2)nn1 ZINC000289847457 532333024 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CC(C)[NH+]1CCC(NC(=O)CN(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000735875632 598915058 /nfs/dbraw/zinc/91/50/58/598915058.db2.gz PUNOGMABAZKGDK-UHFFFAOYSA-N 1 0 397.527 1.820 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[C@@H](C[NH+](C)C)C1 ZINC000735570248 598916107 /nfs/dbraw/zinc/91/61/07/598916107.db2.gz LVTALOHKYWAUSB-RYUDHWBXSA-N 1 0 389.529 1.627 20 0 GDADRO CN(c1ncc(-c2nn[nH]n2)cc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000736844673 598941361 /nfs/dbraw/zinc/94/13/61/598941361.db2.gz WSVGQCFSRVEKOJ-UHFFFAOYSA-N 1 0 387.879 1.712 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000737296760 598958357 /nfs/dbraw/zinc/95/83/57/598958357.db2.gz OHIODUHJPBOZMK-CABCVRRESA-N 1 0 376.486 1.422 20 0 GDADRO O=C(COc1ccccc1-c1nn[nH]n1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000737925608 598970812 /nfs/dbraw/zinc/97/08/12/598970812.db2.gz VYGSMFAKMRKHOC-UHFFFAOYSA-N 1 0 393.451 1.421 20 0 GDADRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 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ZINC000736564776 599242868 /nfs/dbraw/zinc/24/28/68/599242868.db2.gz DQFYCPJSYNBQBS-UHFFFAOYSA-N 1 0 388.472 1.492 20 0 GDADRO Cc1c(NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)cccc1-c1nn[nH]n1 ZINC000822052257 607272261 /nfs/dbraw/zinc/27/22/61/607272261.db2.gz AXSSWLKJUWYBMG-UHFFFAOYSA-N 1 0 399.499 1.884 20 0 GDADRO Cc1c(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cccc1-c1nn[nH]n1 ZINC000822091923 607291820 /nfs/dbraw/zinc/29/18/20/607291820.db2.gz UZMJRGIAXOYCTM-CQSZACIVSA-N 1 0 385.472 1.798 20 0 GDADRO CN(C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1)C1CC[NH+](C)CC1 ZINC000821621785 607298168 /nfs/dbraw/zinc/29/81/68/607298168.db2.gz GINOTFREEAPVBW-UHFFFAOYSA-N 1 0 385.472 1.528 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000821581636 607300467 /nfs/dbraw/zinc/30/04/67/607300467.db2.gz QZXITXYYVDRZIW-CQSZACIVSA-N 1 0 385.472 1.528 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000821624143 607300900 /nfs/dbraw/zinc/30/09/00/607300900.db2.gz ZRWAVTJWPINNEI-CQSZACIVSA-N 1 0 385.472 1.434 20 0 GDADRO Cc1cnn(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737448100 599281423 /nfs/dbraw/zinc/28/14/23/599281423.db2.gz JQUPTQKLCMYYCB-UHFFFAOYSA-N 1 0 397.487 1.145 20 0 GDADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000820528789 607324074 /nfs/dbraw/zinc/32/40/74/607324074.db2.gz OKSACXUECUOHLI-XJKSGUPXSA-N 1 0 386.456 1.004 20 0 GDADRO Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000822191615 607331935 /nfs/dbraw/zinc/33/19/35/607331935.db2.gz LTNVARMQXTXCMI-UHFFFAOYSA-N 1 0 384.532 1.873 20 0 GDADRO C[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736267516 598234767 /nfs/dbraw/zinc/23/47/67/598234767.db2.gz SQUOAOMDNSQEPN-BFUOFWGJSA-N 1 0 383.456 1.713 20 0 GDADRO CC(C)C(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000735684981 598250541 /nfs/dbraw/zinc/25/05/41/598250541.db2.gz MYDBTPNAWBCSIE-LBPRGKRZSA-N 1 0 391.501 1.493 20 0 GDADRO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737436252 598252031 /nfs/dbraw/zinc/25/20/31/598252031.db2.gz PKQGIADQWOGOCM-KRWDZBQOSA-N 1 0 394.479 1.737 20 0 GDADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1sccc1-c1nn[nH]n1 ZINC000738104466 598260888 /nfs/dbraw/zinc/26/08/88/598260888.db2.gz ZERFDKMVEAKAGU-UHFFFAOYSA-N 1 0 398.492 1.815 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736994660 598264955 /nfs/dbraw/zinc/26/49/55/598264955.db2.gz KJHRTYGUMSXFDU-UHFFFAOYSA-N 1 0 399.402 1.510 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000736530258 598265066 /nfs/dbraw/zinc/26/50/66/598265066.db2.gz HFXPRSWBCBDHJG-UHFFFAOYSA-N 1 0 391.476 1.697 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)c2cccc(-c3nn[nH]n3)c2)CC1=O ZINC000736571385 598273266 /nfs/dbraw/zinc/27/32/66/598273266.db2.gz PXMZCUYISGFXMO-NVXWUHKLSA-N 1 0 397.483 1.162 20 0 GDADRO FC(F)(F)CN1CCC([NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC000737627210 598275082 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JZLJOYTYIZWKED-GFCCVEGCSA-N 1 0 376.380 1.853 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNc2cccc(F)c2-c2nn[nH]n2)c1 ZINC000736770096 598457689 /nfs/dbraw/zinc/45/76/89/598457689.db2.gz ZPQHEVVZDAOVAT-UHFFFAOYSA-N 1 0 383.431 1.909 20 0 GDADRO CN(C(=O)c1ccc(-c2nn[nH]n2)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000736749198 598463443 /nfs/dbraw/zinc/46/34/43/598463443.db2.gz NOWDDHNPSVHMEG-UHFFFAOYSA-N 1 0 392.467 1.436 20 0 GDADRO O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000737793246 598467952 /nfs/dbraw/zinc/46/79/52/598467952.db2.gz WYQJDCBFLRHIMR-OALUTQOASA-N 1 0 395.511 1.922 20 0 GDADRO O=C(CCN1CC[C@@H]([NH+]2CCCCC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838850 598470565 /nfs/dbraw/zinc/47/05/65/598470565.db2.gz NYNWUENVNHVJKU-CYBMUJFWSA-N 1 0 375.502 1.817 20 0 GDADRO Clc1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)ccc1-c1nn[nH]n1 ZINC000737563893 598508324 /nfs/dbraw/zinc/50/83/24/598508324.db2.gz IAELQSBPCWOWBX-UHFFFAOYSA-N 1 0 399.890 1.934 20 0 GDADRO CC(C)C(=O)Nc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735685163 598519530 /nfs/dbraw/zinc/51/95/30/598519530.db2.gz QFCACSHMQROHPM-AWEZNQCLSA-N 1 0 395.471 1.489 20 0 GDADRO COc1ccc([C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CC2)cc1 ZINC000737075352 598520108 /nfs/dbraw/zinc/52/01/08/598520108.db2.gz MSXSVLQZTFZXSD-YVEFUNNKSA-N 1 0 380.456 1.854 20 0 GDADRO Brc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735367894 598527467 /nfs/dbraw/zinc/52/74/67/598527467.db2.gz AKZMXRWRVUIZBO-NSHDSACASA-N 1 0 389.261 1.657 20 0 GDADRO COC(=O)CC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736909992 598531152 /nfs/dbraw/zinc/53/11/52/598531152.db2.gz AHDOMPNMUBNGTA-XJKSGUPXSA-N 1 0 396.455 1.389 20 0 GDADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)COc2ccccc2-c2nn[nH]n2)C1 ZINC000736765542 598569737 /nfs/dbraw/zinc/56/97/37/598569737.db2.gz XYEVZLQYWQXNHT-HNNXBMFYSA-N 1 0 378.436 1.765 20 0 GDADRO CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736750208 598590639 /nfs/dbraw/zinc/59/06/39/598590639.db2.gz WJFYLEFXHBYKRU-UHFFFAOYSA-N 1 0 380.456 1.300 20 0 GDADRO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000823061189 607360867 /nfs/dbraw/zinc/36/08/67/607360867.db2.gz ZHAQJDILNNVFLD-INIZCTEOSA-N 1 0 390.513 1.063 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736571437 598681062 /nfs/dbraw/zinc/68/10/62/598681062.db2.gz RKSSEMQOYQYPIT-LLVKDONJSA-N 1 0 377.836 1.059 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736847070 598685047 /nfs/dbraw/zinc/68/50/47/598685047.db2.gz DWEYRKUYTJFJPS-ZDUSSCGKSA-N 1 0 382.424 1.720 20 0 GDADRO Cc1nc(C[C@H]2CCC[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737471899 598685858 /nfs/dbraw/zinc/68/58/58/598685858.db2.gz OYKSKRNVXRGXJF-ZBFHGGJFSA-N 1 0 399.455 1.253 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736530322 598690336 /nfs/dbraw/zinc/69/03/36/598690336.db2.gz HSQWLSRUVHWCLX-UHFFFAOYSA-N 1 0 398.508 1.994 20 0 GDADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736264793 598691480 /nfs/dbraw/zinc/69/14/80/598691480.db2.gz GPLNKFSHEKYBMW-GFCCVEGCSA-N 1 0 396.492 1.795 20 0 GDADRO CN(C(=O)CNc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000736769063 598694035 /nfs/dbraw/zinc/69/40/35/598694035.db2.gz OBCHKBKLTIMGSY-UHFFFAOYSA-N 1 0 395.467 1.882 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736568862 598694123 /nfs/dbraw/zinc/69/41/23/598694123.db2.gz DQNOHVUZSQHIMB-HNNXBMFYSA-N 1 0 395.471 1.239 20 0 GDADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NCCNc1cc[nH+]cc1 ZINC000737833484 598719108 /nfs/dbraw/zinc/71/91/08/598719108.db2.gz TYACLJOEIYJGIG-UHFFFAOYSA-N 1 0 381.440 1.461 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000736637568 598732150 /nfs/dbraw/zinc/73/21/50/598732150.db2.gz SUBVVNUDRDCGBR-CQSZACIVSA-N 1 0 389.460 1.498 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=S)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736768253 598752159 /nfs/dbraw/zinc/75/21/59/598752159.db2.gz BRMWDDKLRGQOHX-UHFFFAOYSA-N 1 0 375.502 1.606 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736858799 598757569 /nfs/dbraw/zinc/75/75/69/598757569.db2.gz BQLYTDUSZOBQFS-JKSUJKDBSA-N 1 0 376.486 1.255 20 0 GDADRO C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736127526 598765697 /nfs/dbraw/zinc/76/56/97/598765697.db2.gz RHQMYHFMIMTTBT-CQSZACIVSA-N 1 0 392.467 1.505 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736079107 598786144 /nfs/dbraw/zinc/78/61/44/598786144.db2.gz NARFDHBVOVXLSM-WDEREUQCSA-N 1 0 386.485 1.619 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cnn2ccccc12 ZINC000736766843 598805364 /nfs/dbraw/zinc/80/53/64/598805364.db2.gz FZXPDPRQQCSPLB-UHFFFAOYSA-N 1 0 390.451 1.718 20 0 GDADRO CCCNC(=O)CCC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736481421 598808335 /nfs/dbraw/zinc/80/83/35/598808335.db2.gz QDKASPLBOOJFJF-UHFFFAOYSA-N 1 0 387.488 1.063 20 0 GDADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C=Cc1cccc(-c2nn[nH]n2)c1 ZINC000736851469 598811758 /nfs/dbraw/zinc/81/17/58/598811758.db2.gz IPTBXUZCSGJVLX-FPLPWBNLSA-N 1 0 383.500 1.364 20 0 GDADRO O[C@H]1CCC[C@H]1[NH+]1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000738391085 599321571 /nfs/dbraw/zinc/32/15/71/599321571.db2.gz WHNCNBGKWXEZQI-CABCVRRESA-N 1 0 382.390 1.921 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)[C@H](C)C1 ZINC000821253125 599347289 /nfs/dbraw/zinc/34/72/89/599347289.db2.gz CVFKCTMGKQTERR-RISCZKNCSA-N 1 0 398.920 1.871 20 0 GDADRO C[C@H](C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)[NH+]1CCCCCC1 ZINC000735526196 599349466 /nfs/dbraw/zinc/34/94/66/599349466.db2.gz UYUTUOAYFDFZDE-OAHLLOKOSA-N 1 0 384.488 1.175 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)[NH+]1CCCCCC1 ZINC000735526195 599349726 /nfs/dbraw/zinc/34/97/26/599349726.db2.gz UYUTUOAYFDFZDE-HNNXBMFYSA-N 1 0 384.488 1.175 20 0 GDADRO O=C(CC1(O)CCCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737807685 599350894 /nfs/dbraw/zinc/35/08/94/599350894.db2.gz LTPLJMZWMKOMGB-UHFFFAOYSA-N 1 0 384.484 1.596 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)C1 ZINC000737007194 599353138 /nfs/dbraw/zinc/35/31/38/599353138.db2.gz LHUYOPWEIQLODC-AWEZNQCLSA-N 1 0 389.460 1.496 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000821243122 599356230 /nfs/dbraw/zinc/35/62/30/599356230.db2.gz ZEUGYFPPPKNJMI-UHFFFAOYSA-N 1 0 378.502 1.575 20 0 GDADRO COc1ccc(OCC[NH+]2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)cc1 ZINC000737112703 599397350 /nfs/dbraw/zinc/39/73/50/599397350.db2.gz YQPCCAMOPXHDPC-UHFFFAOYSA-N 1 0 381.440 1.471 20 0 GDADRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420119 607374544 /nfs/dbraw/zinc/37/45/44/607374544.db2.gz MKRFVKCOQHDCEI-GFCCVEGCSA-N 1 0 392.510 1.900 20 0 GDADRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1-c1nn[nH]n1 ZINC000821809926 599415962 /nfs/dbraw/zinc/41/59/62/599415962.db2.gz UFTGVJXZGMQWOD-CYBMUJFWSA-N 1 0 399.407 1.134 20 0 GDADRO Cn1c(CC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)nc2ccccc21 ZINC000737589333 599445462 /nfs/dbraw/zinc/44/54/62/599445462.db2.gz CDZVAEWRZCYSHP-UHFFFAOYSA-N 1 0 389.467 1.513 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821623510 599452225 /nfs/dbraw/zinc/45/22/25/599452225.db2.gz MERWRRSBUASKAR-SJORKVTESA-N 1 0 385.472 1.514 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000738436639 599487720 /nfs/dbraw/zinc/48/77/20/599487720.db2.gz UIXDMIMDYGUGPI-UHFFFAOYSA-N 1 0 390.451 1.641 20 0 GDADRO C[C@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc(NC(N)=O)cc1 ZINC000736132803 599489684 /nfs/dbraw/zinc/48/96/84/599489684.db2.gz XGYFYGHPZXBODJ-NSHDSACASA-N 1 0 377.412 1.856 20 0 GDADRO CC(C)(O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)CC1 ZINC000819991978 599518172 /nfs/dbraw/zinc/51/81/72/599518172.db2.gz NULYFXZQUQHUQN-UHFFFAOYSA-N 1 0 387.875 1.961 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[NH+](CC(C)(C)O)CC3)c2c1 ZINC000822195650 599518984 /nfs/dbraw/zinc/51/89/84/599518984.db2.gz ZGDXCTBOGBPXFM-UHFFFAOYSA-N 1 0 381.484 1.925 20 0 GDADRO c1cc(-c2nnc(CN3CCC[C@@H]([NH+]4CCCC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823737522 599565342 /nfs/dbraw/zinc/56/53/42/599565342.db2.gz GMNZQUDVWUCRFT-MRXNPFEDSA-N 1 0 380.456 1.977 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)N1CCC[C@@H](O)C1 ZINC000735570587 599566419 /nfs/dbraw/zinc/56/64/19/599566419.db2.gz NYNIWXHBROHNRL-VXGBXAGGSA-N 1 0 390.513 1.981 20 0 GDADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000735751180 599576621 /nfs/dbraw/zinc/57/66/21/599576621.db2.gz UYRBBHTXPTUNHV-INIZCTEOSA-N 1 0 395.471 1.047 20 0 GDADRO O=C(CCN1CCC[N@H+](C[C@H]2CCCO2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842358 599586278 /nfs/dbraw/zinc/58/62/78/599586278.db2.gz ASKLJHLHQGNDGS-MRXNPFEDSA-N 1 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CC[C@@H]1C[C@H](C)C[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000820971955 599646381 /nfs/dbraw/zinc/64/63/81/599646381.db2.gz IPJRUTNADLFRBK-HGQUKEQDSA-N 1 0 383.456 1.712 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000821701422 599657583 /nfs/dbraw/zinc/65/75/83/599657583.db2.gz NYFTZDXELMZPMG-AWEZNQCLSA-N 1 0 388.472 1.492 20 0 GDADRO CCCC[NH+]1CCC(NC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821066170 599673388 /nfs/dbraw/zinc/67/33/88/599673388.db2.gz RCLQTCANEQHXHD-UHFFFAOYSA-N 1 0 387.488 1.809 20 0 GDADRO CC(C)[C@H](CNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCC1 ZINC000820020439 599673812 /nfs/dbraw/zinc/67/38/12/599673812.db2.gz GNXDROGDGQZCTP-KRWDZBQOSA-N 1 0 387.488 1.665 20 0 GDADRO C[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358294 599674766 /nfs/dbraw/zinc/67/47/66/599674766.db2.gz MBDVPSYQKKJQAF-RDTXWAMCSA-N 1 0 399.499 1.870 20 0 GDADRO C[C@H]1C[C@H](NC(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@@H+]1C ZINC000820658197 599676353 /nfs/dbraw/zinc/67/63/53/599676353.db2.gz QZGQZSGJTCGZJQ-GOEBONIOSA-N 1 0 399.499 1.902 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000822222697 599694664 /nfs/dbraw/zinc/69/46/64/599694664.db2.gz QEAPEERDUREZCW-HNNXBMFYSA-N 1 0 390.513 1.528 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000546958637 599731582 /nfs/dbraw/zinc/73/15/82/599731582.db2.gz TURAZIBBWLLYRA-KRWDZBQOSA-N 1 0 397.541 1.730 20 0 GDADRO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1C ZINC000826270112 607396760 /nfs/dbraw/zinc/39/67/60/607396760.db2.gz LNXRJAYBZNCWCQ-UHFFFAOYSA-N 1 0 395.471 1.648 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C[C@H](C)C(=O)[O-])C3CC3)cc2)CC1 ZINC000737122641 599951802 /nfs/dbraw/zinc/95/18/02/599951802.db2.gz LOMUOTQIEYNHQG-INIZCTEOSA-N 1 0 388.512 1.952 20 0 GDADRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000737085673 600122934 /nfs/dbraw/zinc/12/29/34/600122934.db2.gz PQRKHQABIQTMLV-INIZCTEOSA-N 1 0 391.516 1.745 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)COc1ccccc1O ZINC000821586396 607446313 /nfs/dbraw/zinc/44/63/13/607446313.db2.gz WCJAFUBAXVTQTB-UHFFFAOYSA-N 1 0 396.451 1.542 20 0 GDADRO COc1ccc(COC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000821823838 607477259 /nfs/dbraw/zinc/47/72/59/607477259.db2.gz DLOYXVCXRAMLQD-MRXNPFEDSA-N 1 0 387.415 1.682 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820093586 607494148 /nfs/dbraw/zinc/49/41/48/607494148.db2.gz ZFLXZTWVKADXGE-AWEZNQCLSA-N 1 0 378.502 1.513 20 0 GDADRO CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(C(=O)[O-])cc2OC)C[C@@H]1C ZINC000829758980 601220495 /nfs/dbraw/zinc/22/04/95/601220495.db2.gz FWCDGPZYAFXCLS-XIRDDKMYSA-N 1 0 380.485 1.938 20 0 GDADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)s3)nc2)C1 ZINC000821583270 607506230 /nfs/dbraw/zinc/50/62/30/607506230.db2.gz OODPKORAKNNDBW-LBPRGKRZSA-N 1 0 384.469 1.716 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1)c1ccccc1 ZINC000826435612 607511468 /nfs/dbraw/zinc/51/14/68/607511468.db2.gz RYENSZXEOWIIMO-MRXNPFEDSA-N 1 0 377.452 1.904 20 0 GDADRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825914440 607525118 /nfs/dbraw/zinc/52/51/18/607525118.db2.gz FNKFXOOCJSHZKS-INIZCTEOSA-N 1 0 380.456 1.938 20 0 GDADRO COc1cccc(C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000826214806 607539671 /nfs/dbraw/zinc/53/96/71/607539671.db2.gz XPJMLFPFQGTTMY-CYBMUJFWSA-N 1 0 382.472 1.681 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCn2cncc2C1 ZINC000825865445 607571155 /nfs/dbraw/zinc/57/11/55/607571155.db2.gz FMMYUUJSBDXCED-QGZVFWFLSA-N 1 0 394.483 1.216 20 0 GDADRO Cc1cccc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c1-c1nn[nH]n1 ZINC000826302806 607577459 /nfs/dbraw/zinc/57/74/59/607577459.db2.gz SUWGBNZGCHAEQE-UHFFFAOYSA-N 1 0 378.502 1.718 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1-c1nn[nH]n1 ZINC000826302226 607587640 /nfs/dbraw/zinc/58/76/40/607587640.db2.gz CUELHRIEQZNYIA-KGLIPLIRSA-N 1 0 378.502 1.716 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)[N@@H+]1CCC[C@H](C)C1 ZINC000824946443 607588847 /nfs/dbraw/zinc/58/88/47/607588847.db2.gz JJWTTXLOCUTUGZ-RYUDHWBXSA-N 1 0 398.920 1.919 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826302703 607589008 /nfs/dbraw/zinc/58/90/08/607589008.db2.gz QOQTUPOEVBWKFU-JSGCOSHPSA-N 1 0 378.502 1.574 20 0 GDADRO COc1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1-c1nn[nH]n1 ZINC000826196085 607589190 /nfs/dbraw/zinc/58/91/90/607589190.db2.gz PPCJWDKURLFSFQ-KRWDZBQOSA-N 1 0 380.452 1.664 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)[NH+]1CCC(C)CC1 ZINC000824957426 607600457 /nfs/dbraw/zinc/60/04/57/607600457.db2.gz XPPGZZMZHSPXNP-GFCCVEGCSA-N 1 0 398.920 1.919 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000825000190 607614805 /nfs/dbraw/zinc/61/48/05/607614805.db2.gz NUCSTLMIKRWART-GHMZBOCLSA-N 1 0 382.877 1.377 20 0 GDADRO COc1ccc(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1-c1nn[nH]n1 ZINC000826200549 607620369 /nfs/dbraw/zinc/62/03/69/607620369.db2.gz VUNCTNRQYXBGDF-UHFFFAOYSA-N 1 0 391.395 1.778 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000826034117 607650894 /nfs/dbraw/zinc/65/08/94/607650894.db2.gz NTRPIWICCALSLE-CYBMUJFWSA-N 1 0 382.465 1.501 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000825301440 607654273 /nfs/dbraw/zinc/65/42/73/607654273.db2.gz LFUXSNDFOQQXKO-LBPRGKRZSA-N 1 0 382.465 1.358 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 ZINC000825221268 607652499 /nfs/dbraw/zinc/65/24/99/607652499.db2.gz ZGIHTGOSCOULFX-KGLIPLIRSA-N 1 0 376.486 1.422 20 0 GDADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000824876429 607667069 /nfs/dbraw/zinc/66/70/69/607667069.db2.gz SJFUYQWLTQVQMA-HZSPNIEDSA-N 1 0 378.502 1.511 20 0 GDADRO CC[NH+]1C[C@H](C)[C@H](Nc2ncnc(N[C@@H]3C[N@H+](CC)C[C@@H]3C)c2C(=O)[O-])C1 ZINC000829753458 604460903 /nfs/dbraw/zinc/46/09/03/604460903.db2.gz OXWOLQNUCBJSJL-BYNSBNAKSA-N 1 0 376.505 1.679 20 0 GDADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)c2)CC1 ZINC000826390044 607699929 /nfs/dbraw/zinc/69/99/29/607699929.db2.gz OOHITJJSQBAHOZ-UHFFFAOYSA-N 1 0 394.439 1.144 20 0 GDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)cc2)CC1 ZINC000825459000 607698197 /nfs/dbraw/zinc/69/81/97/607698197.db2.gz GWLGHFCIQQEDFI-UHFFFAOYSA-N 1 0 380.456 1.585 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000826247752 607698775 /nfs/dbraw/zinc/69/87/75/607698775.db2.gz NAABOBPPHAKBCV-OAQYLSRUSA-N 1 0 392.463 1.542 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000826247475 607710424 /nfs/dbraw/zinc/71/04/24/607710424.db2.gz DXQZUZZKXAMDQT-MSOLQXFVSA-N 1 0 384.484 1.673 20 0 GDADRO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000824516138 607718607 /nfs/dbraw/zinc/71/86/07/607718607.db2.gz WOJBJOOEUZFVAY-GFCCVEGCSA-N 1 0 398.446 1.577 20 0 GDADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529718868 649953316 /nfs/dbraw/zinc/95/33/16/649953316.db2.gz KMJJUXZHPQBFEV-LBPRGKRZSA-N 1 0 399.289 1.235 20 0 GDADRO CCc1cc(N2CCC[C@H]([NH2+]C3CC[NH+](CCCC(=O)[O-])CC3)C2)ncn1 ZINC000833670794 605225752 /nfs/dbraw/zinc/22/57/52/605225752.db2.gz ANCFSJVHBDDKLF-SFHVURJKSA-N 1 0 375.517 1.927 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000824261408 607746317 /nfs/dbraw/zinc/74/63/17/607746317.db2.gz JPRZGHBZXRKRSL-CYBMUJFWSA-N 1 0 382.465 1.405 20 0 GDADRO O[C@H](c1ccccc1)C1(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000826504750 607753349 /nfs/dbraw/zinc/75/33/49/607753349.db2.gz CLPUGXXXBZJXEG-CZUORRHYSA-N 1 0 380.456 1.208 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc1-c1nn[nH]n1 ZINC000825522122 607759005 /nfs/dbraw/zinc/75/90/05/607759005.db2.gz BUGOEFQOCHFPJE-AWEZNQCLSA-N 1 0 375.433 1.960 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CN(C(=O)[O-])CC[C@H]2c2ccccc2)C1 ZINC000833982790 605607101 /nfs/dbraw/zinc/60/71/01/605607101.db2.gz YXVVHBVKEPAHFR-QYZOEREBSA-N 1 0 388.512 1.700 20 0 GDADRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000820043896 606081085 /nfs/dbraw/zinc/08/10/85/606081085.db2.gz CIVFZXKFVONUDA-OAHLLOKOSA-N 1 0 377.880 1.731 20 0 GDADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000819866967 606094064 /nfs/dbraw/zinc/09/40/64/606094064.db2.gz PPXFSZVHYHHRFG-GDBMZVCRSA-N 1 0 383.500 1.857 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)C1 ZINC000821189905 606107551 /nfs/dbraw/zinc/10/75/51/606107551.db2.gz VXAYRJOTKFWSOA-FVNWOWOISA-N 1 0 384.484 1.839 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000821255351 606123890 /nfs/dbraw/zinc/12/38/90/606123890.db2.gz YXTDHJNKKLLXTI-ROUUACIJSA-N 1 0 383.500 1.778 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[NH+](CCCCO)CC3)c2c1 ZINC000822195560 606126751 /nfs/dbraw/zinc/12/67/51/606126751.db2.gz WGFIZUCMANBQJF-UHFFFAOYSA-N 1 0 381.484 1.926 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000821266317 606145764 /nfs/dbraw/zinc/14/57/64/606145764.db2.gz BBZOGFXMRACYHG-NSHDSACASA-N 1 0 384.893 1.625 20 0 GDADRO COc1cc(C[C@H](CO)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc(OC)c1 ZINC000821712638 606166265 /nfs/dbraw/zinc/16/62/65/606166265.db2.gz KHOMZMMMBKBPIY-INIZCTEOSA-N 1 0 383.452 1.825 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189114 606190535 /nfs/dbraw/zinc/19/05/35/606190535.db2.gz HXWGYZUEMGZXPR-OAHLLOKOSA-N 1 0 392.529 1.304 20 0 GDADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821635217 606221964 /nfs/dbraw/zinc/22/19/64/606221964.db2.gz RKCJQVBEGJTBPV-INIZCTEOSA-N 1 0 381.465 1.856 20 0 GDADRO O=C(COc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000823043827 606276193 /nfs/dbraw/zinc/27/61/93/606276193.db2.gz JMMVCSWNRKWWFN-UHFFFAOYSA-N 1 0 393.451 1.421 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561666 606308411 /nfs/dbraw/zinc/30/84/11/606308411.db2.gz HXPQWJRYUPUTLD-HNNXBMFYSA-N 1 0 385.449 1.234 20 0 GDADRO O=S(=O)(CC[NH2+]CCc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561623 606308772 /nfs/dbraw/zinc/30/87/72/606308772.db2.gz GRKPZPRXCBJICO-UHFFFAOYSA-N 1 0 375.429 1.612 20 0 GDADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000821002345 606331811 /nfs/dbraw/zinc/33/18/11/606331811.db2.gz WBANTZGAGGSQPE-ROUUACIJSA-N 1 0 383.500 1.432 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@]3(CCCOC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504647 606333034 /nfs/dbraw/zinc/33/30/34/606333034.db2.gz SKPYVEZPKRFMSE-RDTXWAMCSA-N 1 0 388.497 1.926 20 0 GDADRO CCOC(=O)N[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)CC(C)C ZINC000821335178 606337422 /nfs/dbraw/zinc/33/74/22/606337422.db2.gz ZSSLNYWTXGGBJA-CQSZACIVSA-N 1 0 386.460 1.765 20 0 GDADRO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000823005496 606381018 /nfs/dbraw/zinc/38/10/18/606381018.db2.gz UAZQBJPODMGDCG-UHFFFAOYSA-N 1 0 397.483 1.120 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)C[C@H]1C ZINC000821254493 606384160 /nfs/dbraw/zinc/38/41/60/606384160.db2.gz MJBAUYABTHRWMU-UKRRQHHQSA-N 1 0 387.492 1.188 20 0 GDADRO C[N@H+](CCNC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1 ZINC000821602866 606384659 /nfs/dbraw/zinc/38/46/59/606384659.db2.gz YJLYMOQFUPRSIK-UHFFFAOYSA-N 1 0 383.431 1.937 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000821688290 606453707 /nfs/dbraw/zinc/45/37/07/606453707.db2.gz FIYMFWPLDZOHLT-TZMCWYRMSA-N 1 0 389.504 1.990 20 0 GDADRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(-c4nn[nH]n4)cs3)cn2)CC1 ZINC000821628566 606534958 /nfs/dbraw/zinc/53/49/58/606534958.db2.gz LFMOUBPFECJNBU-UHFFFAOYSA-N 1 0 384.469 1.005 20 0 GDADRO CN(C(=O)c1ccc(-c2nn[nH]n2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000821622034 606558825 /nfs/dbraw/zinc/55/88/25/606558825.db2.gz PLWANSAPEIDFRD-ZDUSSCGKSA-N 1 0 375.502 1.169 20 0 GDADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)s1 ZINC000823170832 606580152 /nfs/dbraw/zinc/58/01/52/606580152.db2.gz JELXWYSWPLGUQW-SFHVURJKSA-N 1 0 384.465 1.295 20 0 GDADRO Cc1nc(C)c(Br)c(N2CCN(C(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000530180191 649967577 /nfs/dbraw/zinc/96/75/77/649967577.db2.gz UEHLMEYNOOGGKV-UHFFFAOYSA-N 1 0 383.294 1.003 20 0 GDADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820650653 606636227 /nfs/dbraw/zinc/63/62/27/606636227.db2.gz XDUFTVNJJYJDSP-HZSPNIEDSA-N 1 0 378.502 1.511 20 0 GDADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823154936 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384.463 1.799 20 0 GDADRO O=C(NCCNc1ncccc1-c1nn[nH]n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000823206563 607103524 /nfs/dbraw/zinc/10/35/24/607103524.db2.gz VBPHXOKPKDZMHQ-UHFFFAOYSA-N 1 0 399.503 1.334 20 0 GDADRO O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000822996774 607107805 /nfs/dbraw/zinc/10/78/05/607107805.db2.gz IZFYVRONUOXDLH-UHFFFAOYSA-N 1 0 375.502 1.817 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000822928574 607177679 /nfs/dbraw/zinc/17/76/79/607177679.db2.gz KMOWMCXAICMCIB-AMQGLKLZSA-N 1 0 396.495 1.764 20 0 GDADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000823161355 607192015 /nfs/dbraw/zinc/19/20/15/607192015.db2.gz NJTCDUXWYKAQHS-RTBURBONSA-N 1 0 392.463 1.480 20 0 GDADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000821608628 607212063 /nfs/dbraw/zinc/21/20/63/607212063.db2.gz OGNUCZZAGLRJGI-QZTJIDSGSA-N 1 0 399.499 1.386 20 0 GDADRO 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ZINC000824885398 607828732 /nfs/dbraw/zinc/82/87/32/607828732.db2.gz SNXIYPWCBSVMFX-ZFWWWQNUSA-N 1 0 378.502 1.055 20 0 GDADRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H]1C ZINC000825458699 607831796 /nfs/dbraw/zinc/83/17/96/607831796.db2.gz DIUFYSPHJWVHKH-RYUDHWBXSA-N 1 0 389.529 1.770 20 0 GDADRO O=C1C[C@@H]([N@@H+]2CC[C@H](C3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000826478456 607843341 /nfs/dbraw/zinc/84/33/41/607843341.db2.gz BTUCCGCBQNHHOA-DOTOQJQBSA-N 1 0 396.451 1.247 20 0 GDADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823972786 607848727 /nfs/dbraw/zinc/84/87/27/607848727.db2.gz GYSWCFZNMOMZMN-HNNXBMFYSA-N 1 0 395.471 1.191 20 0 GDADRO Clc1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nc1-c1nn[nH]n1 ZINC000826352231 607849911 /nfs/dbraw/zinc/84/99/11/607849911.db2.gz TUXSNWNVJSBPGX-CYBMUJFWSA-N 1 0 377.880 1.996 20 0 GDADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000824045162 607859592 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390.492 1.808 20 0 GDADRO CCc1ccc(OCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)cc1 ZINC000825717980 608019513 /nfs/dbraw/zinc/01/95/13/608019513.db2.gz SHMMWWZSQXMYKY-UHFFFAOYSA-N 1 0 384.444 1.322 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2SCCc3ccccc32)c1-c1nn[nH]n1 ZINC000826077741 608019631 /nfs/dbraw/zinc/01/96/31/608019631.db2.gz SRUITGWHJCKUGQ-OAHLLOKOSA-N 1 0 398.496 1.711 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCN(C)c3ccccc32)c1-c1nn[nH]n1 ZINC000826077704 608019665 /nfs/dbraw/zinc/01/96/65/608019665.db2.gz RDHNMUIVNCTVHJ-CYBMUJFWSA-N 1 0 395.471 1.304 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(cc2O)CCCC3)c1-c1nn[nH]n1 ZINC000826077878 608020589 /nfs/dbraw/zinc/02/05/89/608020589.db2.gz YKFLXXRLFTWPJA-UHFFFAOYSA-N 1 0 396.455 1.579 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccccc3nc2C)c1-c1nn[nH]n1 ZINC000826084084 608021039 /nfs/dbraw/zinc/02/10/39/608021039.db2.gz UWLXJQAFVNQPQF-UHFFFAOYSA-N 1 0 391.439 1.851 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)cc2OC)c1-c1nn[nH]n1 ZINC000826084298 608021436 /nfs/dbraw/zinc/02/14/36/608021436.db2.gz YDQWNFQIPZLSBG-UHFFFAOYSA-N 1 0 390.835 1.656 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc(-c3ccco3)s2)c1-c1nn[nH]n1 ZINC000826084322 608021640 /nfs/dbraw/zinc/02/16/40/608021640.db2.gz YYQMGCYFQDSWNX-UHFFFAOYSA-N 1 0 399.440 1.711 20 0 GDADRO CCC(CC)n1nccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825113576 608022796 /nfs/dbraw/zinc/02/27/96/608022796.db2.gz BYEUUNAIBGZUSX-UHFFFAOYSA-N 1 0 386.464 1.552 20 0 GDADRO C[C@H](O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000824688940 608033525 /nfs/dbraw/zinc/03/35/25/608033525.db2.gz IXFRVRPOTSFNMN-SRVKXCTJSA-N 1 0 378.864 1.940 20 0 GDADRO C[N@H+](CC(=O)NCCSCc1ccccc1-c1nn[nH]n1)[C@H]1CCSC1 ZINC000825892560 608033700 /nfs/dbraw/zinc/03/37/00/608033700.db2.gz OWSPLQYUQBAWOW-AWEZNQCLSA-N 1 0 392.554 1.653 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cc(F)cc2cccnc21 ZINC000825933952 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387.488 1.680 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000824297676 608089384 /nfs/dbraw/zinc/08/93/84/608089384.db2.gz YLGRSMUONDDYFL-SFHVURJKSA-N 1 0 384.484 1.887 20 0 GDADRO NC(=O)[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389463 608099736 /nfs/dbraw/zinc/09/97/36/608099736.db2.gz YWEPYQBWJMIGMC-QAPCUYQASA-N 1 0 395.442 1.791 20 0 GDADRO C[NH+](C)CCOc1cc(CNc2snc(Cl)c2-c2nn[nH]n2)ccn1 ZINC000825870705 608100320 /nfs/dbraw/zinc/10/03/20/608100320.db2.gz YZMXNLVCDMFRSY-UHFFFAOYSA-N 1 0 380.865 1.924 20 0 GDADRO CC[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1OCCOC)[NH+](CC)CC ZINC000825039546 608137766 /nfs/dbraw/zinc/13/77/66/608137766.db2.gz SYALZVWEAGILQR-OAHLLOKOSA-N 1 0 376.461 1.951 20 0 GDADRO C[C@H]1CN(c2c3ccccc3nnc2-c2nn[nH]n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824991515 608150925 /nfs/dbraw/zinc/15/09/25/608150925.db2.gz BUUVQTLYVGVLOA-WMLDXEAASA-N 1 0 393.499 1.272 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CNc2ccc(-c3nn[nH]n3)cn2)o1 ZINC000826288272 608222009 /nfs/dbraw/zinc/22/20/09/608222009.db2.gz YXHQMYVRTSPJHS-UHFFFAOYSA-N 1 0 384.444 1.165 20 0 GDADRO Cn1nnnc1CC[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826366924 608251778 /nfs/dbraw/zinc/25/17/78/608251778.db2.gz DGMGUKNZRFWAKT-UHFFFAOYSA-N 1 0 391.439 1.302 20 0 GDADRO NC(=O)c1cc(OC2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)ccn1 ZINC000826392950 608264668 /nfs/dbraw/zinc/26/46/68/608264668.db2.gz VDAVKFMBJATHGT-UHFFFAOYSA-N 1 0 397.414 1.543 20 0 GDADRO Cc1nn(C)c(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826333922 608271835 /nfs/dbraw/zinc/27/18/35/608271835.db2.gz ZNQYGBRMBSIMTN-UHFFFAOYSA-N 1 0 397.487 1.813 20 0 GDADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826435089 608279247 /nfs/dbraw/zinc/27/92/47/608279247.db2.gz GHYMJMRBFPUEBI-UHFFFAOYSA-N 1 0 398.858 1.957 20 0 GDADRO C[C@@H]1CN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000825000819 608301532 /nfs/dbraw/zinc/30/15/32/608301532.db2.gz VOLHXVNSWATZGA-BEFAXECRSA-N 1 0 396.543 1.603 20 0 GDADRO O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000826485195 608332452 /nfs/dbraw/zinc/33/24/52/608332452.db2.gz GQTWJCJAZQRFBR-CQSZACIVSA-N 1 0 380.449 1.006 20 0 GDADRO CC(C)[NH+](CCCNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(C)C ZINC000824288940 608337094 /nfs/dbraw/zinc/33/70/94/608337094.db2.gz QQVZINIBJDLUSX-UHFFFAOYSA-N 1 0 398.508 1.934 20 0 GDADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000824304838 608363332 /nfs/dbraw/zinc/36/33/32/608363332.db2.gz FSJSYONVHWZCGR-UHFFFAOYSA-N 1 0 391.863 1.448 20 0 GDADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826360174 608376374 /nfs/dbraw/zinc/37/63/74/608376374.db2.gz ZVTQFPCHKOTOSR-IAGOWNOFSA-N 1 0 396.455 1.127 20 0 GDADRO C[C@H]1C[N@@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)CC[C@@H]1C ZINC000824954920 608377149 /nfs/dbraw/zinc/37/71/49/608377149.db2.gz MBXNKPILRNXYED-KBPBESRZSA-N 1 0 380.456 1.969 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2c(F)ccc(C)c2F)c1-c1nn[nH]n1 ZINC000826077555 608385318 /nfs/dbraw/zinc/38/53/18/608385318.db2.gz MBTCJFHAUQCMNY-UHFFFAOYSA-N 1 0 376.371 1.581 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c(F)c1 ZINC000530431117 649974831 /nfs/dbraw/zinc/97/48/31/649974831.db2.gz DETDHCXTVQDTLD-OAHLLOKOSA-N 1 0 376.475 1.328 20 0 GDADRO O=S1(=O)CCC(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000826496695 608450585 /nfs/dbraw/zinc/45/05/85/608450585.db2.gz FRGVZEMDLGSSKZ-UHFFFAOYSA-N 1 0 391.497 1.535 20 0 GDADRO CC(C)([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1CCCCC1 ZINC000824168268 608458010 /nfs/dbraw/zinc/45/80/10/608458010.db2.gz YWRUFSOTJCPLAH-QGZVFWFLSA-N 1 0 386.500 1.965 20 0 GDADRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826197374 608459856 /nfs/dbraw/zinc/45/98/56/608459856.db2.gz MTQYJAGLMWTOKI-CYBMUJFWSA-N 1 0 396.451 1.851 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562599 608461060 /nfs/dbraw/zinc/46/10/60/608461060.db2.gz HODDUYMOFCELKI-BBRMVZONSA-N 1 0 394.435 1.474 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NC[C@H]1COc2ccccc2O1)c1cccc(-c2nn[nH]n2)c1 ZINC000824564090 608482028 /nfs/dbraw/zinc/48/20/28/608482028.db2.gz RNIZPVKRSJADHL-CJNGLKHVSA-N 1 0 394.435 1.474 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824565112 608482061 /nfs/dbraw/zinc/48/20/61/608482061.db2.gz ZHJABXFEYYWKEG-CYBMUJFWSA-N 1 0 393.451 1.858 20 0 GDADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825565744 608485149 /nfs/dbraw/zinc/48/51/49/608485149.db2.gz XZSSRDQOHHDTMR-NSHDSACASA-N 1 0 398.427 1.066 20 0 GDADRO COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826217728 608491415 /nfs/dbraw/zinc/49/14/15/608491415.db2.gz ZRTMPQPSMKIJQF-XJKSGUPXSA-N 1 0 399.451 1.974 20 0 GDADRO COc1c(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)nn1C ZINC000826167159 608508743 /nfs/dbraw/zinc/50/87/43/608508743.db2.gz RNUUANQFWOVTOH-UHFFFAOYSA-N 1 0 396.499 1.625 20 0 GDADRO c1ccc2c(c1)OCC[C@@H]2C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826524551 608512778 /nfs/dbraw/zinc/51/27/78/608512778.db2.gz ZDLKYDVVFKVOTP-MRXNPFEDSA-N 1 0 377.452 1.950 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC000826496863 608527045 /nfs/dbraw/zinc/52/70/45/608527045.db2.gz LZQKCMOGSVCVTE-SHARSMKWSA-N 1 0 392.485 1.119 20 0 GDADRO OCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1CCc2ccccc21 ZINC000826510075 608703625 /nfs/dbraw/zinc/70/36/25/608703625.db2.gz XBNMPFULORPNNK-GOSISDBHSA-N 1 0 375.436 1.996 20 0 GDADRO COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000530535597 649977841 /nfs/dbraw/zinc/97/78/41/649977841.db2.gz SXNXFYJKEFNEMH-HOTGVXAUSA-N 1 0 376.519 1.137 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000824907946 608811638 /nfs/dbraw/zinc/81/16/38/608811638.db2.gz LIIVAHCMSVQBFB-CHWSQXEVSA-N 1 0 380.456 1.746 20 0 GDADRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826363816 608843859 /nfs/dbraw/zinc/84/38/59/608843859.db2.gz CNHFCDQNLVWWSD-CXAGYDPISA-N 1 0 393.455 1.194 20 0 GDADRO C[C@@H](O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000824689241 609145567 /nfs/dbraw/zinc/14/55/67/609145567.db2.gz JZVAUWRNEHXUHA-NEPJUHHUSA-N 1 0 390.513 1.838 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257601 609151642 /nfs/dbraw/zinc/15/16/42/609151642.db2.gz IRJOFRDPPDQQDC-MRXNPFEDSA-N 1 0 394.483 1.963 20 0 GDADRO Cc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257644 609156764 /nfs/dbraw/zinc/15/67/64/609156764.db2.gz KGQLWDQIWAFNLU-UHFFFAOYSA-N 1 0 394.483 1.775 20 0 GDADRO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257954 609160551 /nfs/dbraw/zinc/16/05/51/609160551.db2.gz USWLAWFXXYQUDI-QGZVFWFLSA-N 1 0 394.483 1.917 20 0 GDADRO C[C@@H](CCn1cccn1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824412703 609167378 /nfs/dbraw/zinc/16/73/78/609167378.db2.gz DVZYTVCMEPTXJX-YOEHRIQHSA-N 1 0 380.456 1.627 20 0 GDADRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826366615 609168510 /nfs/dbraw/zinc/16/85/10/609168510.db2.gz QFBOCHRFVAZQHQ-IRXDYDNUSA-N 1 0 392.467 1.763 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826431903 609188379 /nfs/dbraw/zinc/18/83/79/609188379.db2.gz NHQXJUMSMYJUJW-MSOLQXFVSA-N 1 0 378.436 1.291 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824907512 609215116 /nfs/dbraw/zinc/21/51/16/609215116.db2.gz IDZFBSIPODQNIK-LTCOOKNTSA-N 1 0 384.484 1.764 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825865802 609215302 /nfs/dbraw/zinc/21/53/02/609215302.db2.gz LQNBNGQKZVDBIS-GOSISDBHSA-N 1 0 398.442 1.630 20 0 GDADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825193721 609227893 /nfs/dbraw/zinc/22/78/93/609227893.db2.gz NFOZHLHISJVKMS-YOEHRIQHSA-N 1 0 386.500 1.917 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824553258 609238563 /nfs/dbraw/zinc/23/85/63/609238563.db2.gz AQYYGPHXWNRWSZ-PGUXBMHVSA-N 1 0 382.465 1.326 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000824555057 609238644 /nfs/dbraw/zinc/23/86/44/609238644.db2.gz UINISSXHGFZSTF-ZQIUZPCESA-N 1 0 392.529 1.966 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824270725 609255747 /nfs/dbraw/zinc/25/57/47/609255747.db2.gz FLIPCINWHYWPBA-AWEZNQCLSA-N 1 0 392.529 1.968 20 0 GDADRO C[C@H](NC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)C1=CC[N@H+](C)CC1 ZINC000824489622 609316124 /nfs/dbraw/zinc/31/61/24/609316124.db2.gz MFZSKBSCBQYCGL-HNNXBMFYSA-N 1 0 396.499 1.349 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CCC([N@H+](C)CCO)CC1 ZINC000826268028 609317186 /nfs/dbraw/zinc/31/71/86/609317186.db2.gz HHHUXMRQLBGONE-UHFFFAOYSA-N 1 0 385.447 1.755 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824640766 609317437 /nfs/dbraw/zinc/31/74/37/609317437.db2.gz OHBSUEABGOIWQY-DZGCQCFKSA-N 1 0 390.513 1.798 20 0 GDADRO CN(C)C1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC000825850819 609339458 /nfs/dbraw/zinc/33/94/58/609339458.db2.gz SHTCULQCKMQRAZ-UHFFFAOYSA-N 1 0 396.499 1.468 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000826437043 609364120 /nfs/dbraw/zinc/36/41/20/609364120.db2.gz UHRFPGFCITWUHN-UHFFFAOYSA-N 1 0 399.434 1.799 20 0 GDADRO C[N@@H+]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC1 ZINC000826034907 609364565 /nfs/dbraw/zinc/36/45/65/609364565.db2.gz YTJIWQMKEJBIIU-UHFFFAOYSA-N 1 0 385.407 1.361 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826442752 609376320 /nfs/dbraw/zinc/37/63/20/609376320.db2.gz JYEFRDKYHKTKQM-SFHVURJKSA-N 1 0 393.451 1.755 20 0 GDADRO O=C1[C@@H]([NH2+][C@H]2CCc3nccn3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477195 609415345 /nfs/dbraw/zinc/41/53/45/609415345.db2.gz XRPFQRWDWCZGCA-HOCLYGCPSA-N 1 0 378.440 1.163 20 0 GDADRO c1ccc(C[NH+]2CCC(Nc3nc4ccccn4c3-c3nn[nH]n3)CC2)nc1 ZINC000826521819 609462964 /nfs/dbraw/zinc/46/29/64/609462964.db2.gz ZKZDDUKLKDTYLC-UHFFFAOYSA-N 1 0 375.440 1.986 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)ccc1Br ZINC000530845323 649982068 /nfs/dbraw/zinc/98/20/68/649982068.db2.gz GZVBQSHPJZPZDS-LLVKDONJSA-N 1 0 384.274 1.997 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000824045938 609496677 /nfs/dbraw/zinc/49/66/77/609496677.db2.gz POBXYSMKKSACTG-AWEZNQCLSA-N 1 0 378.440 1.411 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826429519 609498229 /nfs/dbraw/zinc/49/82/29/609498229.db2.gz FZESPJAIWDPBSF-DJIMGWMZSA-N 1 0 377.452 1.835 20 0 GDADRO CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825395267 609514435 /nfs/dbraw/zinc/51/44/35/609514435.db2.gz MXOGBYGUICHKGH-CYBMUJFWSA-N 1 0 388.472 1.708 20 0 GDADRO NC(=O)[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389404 609515812 /nfs/dbraw/zinc/51/58/12/609515812.db2.gz XBZCUZBQXACAOC-OAHLLOKOSA-N 1 0 376.342 1.643 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824978422 609549711 /nfs/dbraw/zinc/54/97/11/609549711.db2.gz VUZVRJKROHANQG-GXFFZTMASA-N 1 0 384.893 1.481 20 0 GDADRO CN(CC(=O)N1CCC[C@@H]1C[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000532045915 650003559 /nfs/dbraw/zinc/00/35/59/650003559.db2.gz FJKANNFZHXPRQG-LLVKDONJSA-N 1 0 379.935 1.575 20 0 GDADRO C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)S(C)(=O)=O ZINC000532811092 650035374 /nfs/dbraw/zinc/03/53/74/650035374.db2.gz JHKAJGKSUPEUCD-AWEZNQCLSA-N 1 0 385.555 1.833 20 0 GDADRO COC1CC[NH+](C2(CNC(=O)NC[C@@H](C)S(C)(=O)=O)CCCC2)CC1 ZINC000533127670 650042323 /nfs/dbraw/zinc/04/23/23/650042323.db2.gz PMWAVCPHCAKHLZ-CQSZACIVSA-N 1 0 375.535 1.142 20 0 GDADRO C[C@H]1C[N@H+](C)CCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000533440748 650052334 /nfs/dbraw/zinc/05/23/34/650052334.db2.gz LTWSJPZRYPEIMK-LBPRGKRZSA-N 1 0 383.290 1.140 20 0 GDADRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533409450 650051801 /nfs/dbraw/zinc/05/18/01/650051801.db2.gz YHLZJMDMNHTYBT-ZDUSSCGKSA-N 1 0 379.258 1.687 20 0 GDADRO C[N@H+](CC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@@H]1CCSC1 ZINC000535004087 650237845 /nfs/dbraw/zinc/23/78/45/650237845.db2.gz SGAGERLQLHCLPW-CQSZACIVSA-N 1 0 399.358 1.930 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000536014852 650263442 /nfs/dbraw/zinc/26/34/42/650263442.db2.gz AUJKQCZXYLPBDE-AWEZNQCLSA-N 1 0 381.523 1.607 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C[C@@H]1C ZINC000536564699 650272352 /nfs/dbraw/zinc/27/23/52/650272352.db2.gz DVKNJZVXCLCISN-NWDGAFQWSA-N 1 0 393.962 1.963 20 0 GDADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000536850601 650281882 /nfs/dbraw/zinc/28/18/82/650281882.db2.gz FCMGPCSRLMRMDG-QMTHXVAHSA-N 1 0 378.263 1.979 20 0 GDADRO C[C@H]([NH2+]Cc1cnc(-c2ccsc2)s1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000537301234 650289011 /nfs/dbraw/zinc/28/90/11/650289011.db2.gz DKBLQINOWHTFTH-RYUDHWBXSA-N 1 0 399.563 1.901 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)cc1 ZINC000537943889 650302481 /nfs/dbraw/zinc/30/24/81/650302481.db2.gz FWXRMDJKNFHXRQ-KBPBESRZSA-N 1 0 376.544 1.801 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCSCC(F)(F)F)CC1 ZINC000538810568 650323009 /nfs/dbraw/zinc/32/30/09/650323009.db2.gz TZUZXVGMXUIHFY-GFCCVEGCSA-N 1 0 382.452 1.230 20 0 GDADRO CS[C@@H]1CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C[C@@H]1[NH+](C)C ZINC000539477328 650335402 /nfs/dbraw/zinc/33/54/02/650335402.db2.gz AFJBVXAMJUCXTN-LSDHHAIUSA-N 1 0 389.518 1.145 20 0 GDADRO CC[N@H+](CCC1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1)CC(C)C ZINC000540236589 650353146 /nfs/dbraw/zinc/35/31/46/650353146.db2.gz JLLUMDYTRFRYAC-UHFFFAOYSA-N 1 0 375.579 1.921 20 0 GDADRO CCN(CC)c1ncc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)s1 ZINC000540613562 650365192 /nfs/dbraw/zinc/36/51/92/650365192.db2.gz DSRIBJKHMMVZPL-AWEZNQCLSA-N 1 0 390.575 1.567 20 0 GDADRO C[NH+](C)CCOCCNC(=O)Cc1ccccc1I ZINC000542462294 650405336 /nfs/dbraw/zinc/40/53/36/650405336.db2.gz WUOJEDPOFABMTK-UHFFFAOYSA-N 1 0 376.238 1.528 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000543141146 650418755 /nfs/dbraw/zinc/41/87/55/650418755.db2.gz KZLRRJNNAUDYFB-RYUDHWBXSA-N 1 0 382.404 1.198 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)[C@@H]1CCCOC1 ZINC000543506955 650423310 /nfs/dbraw/zinc/42/33/10/650423310.db2.gz GXIQABJEZHTMRZ-QWHCGFSZSA-N 1 0 398.301 1.909 20 0 GDADRO O=C(N[C@H](CCO)c1ccccc1Br)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000543839654 650430550 /nfs/dbraw/zinc/43/05/50/650430550.db2.gz ZTVRUAQWPNIETI-HZPDHXFCSA-N 1 0 382.302 1.379 20 0 GDADRO COCCN(C(=O)NCC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000544331646 650437933 /nfs/dbraw/zinc/43/79/33/650437933.db2.gz CSFOJRFFAYRDOI-JKSUJKDBSA-N 1 0 375.535 1.096 20 0 GDADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000544847726 650446880 /nfs/dbraw/zinc/44/68/80/650446880.db2.gz WZVYXNQVRNPOMH-MRXNPFEDSA-N 1 0 378.881 1.856 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000545171639 650450188 /nfs/dbraw/zinc/45/01/88/650450188.db2.gz GIXPSDNVUZHQJZ-CQSZACIVSA-N 1 0 380.659 1.768 20 0 GDADRO Cc1c(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000545858655 650462471 /nfs/dbraw/zinc/46/24/71/650462471.db2.gz IWOWXZFGBJDZHK-MRXNPFEDSA-N 1 0 384.889 1.179 20 0 GDADRO CCn1c(SCC(=O)NC[C@]2(O)CC[N@H+](C)C2)nnc1-c1cccs1 ZINC000545882342 650464212 /nfs/dbraw/zinc/46/42/12/650464212.db2.gz OAUMBPVLIQDUCQ-MRXNPFEDSA-N 1 0 381.527 1.301 20 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/nfs/dbraw/zinc/54/76/58/650547658.db2.gz PCHHNMZCYXFRIN-HOTGVXAUSA-N 1 0 389.587 1.230 20 0 GDADRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cnc(C)s3)cn2)CC1 ZINC000549520961 650578428 /nfs/dbraw/zinc/57/84/28/650578428.db2.gz ZCNJATHLHRZHHZ-UHFFFAOYSA-N 1 0 381.527 1.467 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(C[C@H](O)COc3ccc(Br)cc3)[C@H]2C1 ZINC000549831080 650584518 /nfs/dbraw/zinc/58/45/18/650584518.db2.gz ZYLAPTSEDKCEAO-RYQLBKOJSA-N 1 0 399.329 1.984 20 0 GDADRO CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000550415867 650592186 /nfs/dbraw/zinc/59/21/86/650592186.db2.gz ZUEZGGHIHBLATB-UTUOFQBUSA-N 1 0 381.464 1.885 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CCn1cc(Br)cn1 ZINC000551198708 650600909 /nfs/dbraw/zinc/60/09/09/650600909.db2.gz ODODARGSJBQOAK-OAHLLOKOSA-N 1 0 399.314 1.960 20 0 GDADRO CS(=O)(=O)C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000551300829 650603651 /nfs/dbraw/zinc/60/36/51/650603651.db2.gz ABYIKNYYUCEJBP-CYBMUJFWSA-N 1 0 398.909 1.170 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1OC ZINC000551513207 650608322 /nfs/dbraw/zinc/60/83/22/650608322.db2.gz QDPMVLGIYNKOKG-CMPLNLGQSA-N 1 0 390.889 1.896 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+]C1CCC(O)(C(F)(F)F)CC1)c1cccs1 ZINC000552923102 650634840 /nfs/dbraw/zinc/63/48/40/650634840.db2.gz HOVXYRSWUBTOKG-QWKFWESOSA-N 1 0 387.445 1.708 20 0 GDADRO CCCN(CC[NH+]1CCCC1)C(=O)CSc1nnnn1CC(F)(F)F ZINC000553062182 650637132 /nfs/dbraw/zinc/63/71/32/650637132.db2.gz IRKYQZMDQBWZOY-UHFFFAOYSA-N 1 0 380.440 1.662 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000554707968 650680302 /nfs/dbraw/zinc/68/03/02/650680302.db2.gz FWQKBBJGBOTFGN-UHFFFAOYSA-N 1 0 396.326 1.750 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)c(C)c1 ZINC000554970574 650684134 /nfs/dbraw/zinc/68/41/34/650684134.db2.gz LMEWATYYXKXRKY-UHFFFAOYSA-N 1 0 386.539 1.887 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(Br)cc2)CC[N@@H+]1C ZINC000555963442 650697694 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COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000557347315 650723323 /nfs/dbraw/zinc/72/33/23/650723323.db2.gz DGAVMMRINBONMT-LLVKDONJSA-N 1 0 375.878 1.727 20 0 GDADRO CN(C(=O)C(=O)NCCc1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000559648235 650734841 /nfs/dbraw/zinc/73/48/41/650734841.db2.gz CKMQJNZYBJTZNL-MRXNPFEDSA-N 1 0 394.313 1.803 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000563789406 650740182 /nfs/dbraw/zinc/74/01/82/650740182.db2.gz CXEZKRSXEJIOJN-LLVKDONJSA-N 1 0 381.278 2.344 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2nc3ccccc3s2)C1 ZINC000564079700 650747345 /nfs/dbraw/zinc/74/73/45/650747345.db2.gz IHCHBLNYXDDTOP-LBPRGKRZSA-N 1 0 382.511 1.162 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2ccccc2S(N)(=O)=O)c1 ZINC000564560920 650761390 /nfs/dbraw/zinc/76/13/90/650761390.db2.gz HSIDABMJLCVVFJ-CQSZACIVSA-N 1 0 384.885 1.825 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000564850166 650769885 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C#CC[NH+]1CCC(C(=O)N2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC000057170871 644486699 /nfs/dbraw/zinc/48/66/99/644486699.db2.gz GLDWHDOMAHRBHB-UHFFFAOYSA-N 1 0 391.313 1.838 20 0 GDADRO C[NH+]1CCC(NC(=S)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 ZINC000063150390 644519619 /nfs/dbraw/zinc/51/96/19/644519619.db2.gz OUZRTQAPUQVCCB-UHFFFAOYSA-N 1 0 386.518 1.746 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000110653637 644625577 /nfs/dbraw/zinc/62/55/77/644625577.db2.gz YNTUFWXJWDOHJJ-LBPRGKRZSA-N 1 0 378.523 1.996 20 0 GDADRO CCOCC[NH+]1CCN(Cn2nc(N(C(C)=O)C3CC3)sc2=S)CC1 ZINC000111164225 644626869 /nfs/dbraw/zinc/62/68/69/644626869.db2.gz VXSCVAODAGASKL-UHFFFAOYSA-N 1 0 385.559 1.801 20 0 GDADRO CSc1nc2ncn(CC(=O)NC3CC[NH+](C(C)C)CC3)c(=O)c2s1 ZINC000114218341 644640681 /nfs/dbraw/zinc/64/06/81/644640681.db2.gz IVRXVUTXPCMQER-UHFFFAOYSA-N 1 0 381.527 1.564 20 0 GDADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000568149640 650938694 /nfs/dbraw/zinc/93/86/94/650938694.db2.gz 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C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415419722 645893115 /nfs/dbraw/zinc/89/31/15/645893115.db2.gz VHRJRXJXBMUPJZ-LLVKDONJSA-N 1 0 394.273 1.545 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415419016 645893136 /nfs/dbraw/zinc/89/31/36/645893136.db2.gz PQOHBMGYVAPENG-ZETCQYMHSA-N 1 0 395.628 1.689 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(I)c1 ZINC000415423615 645894230 /nfs/dbraw/zinc/89/42/30/645894230.db2.gz GKESXXRJDHEJHV-GFCCVEGCSA-N 1 0 389.237 1.719 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000415507441 645894710 /nfs/dbraw/zinc/89/47/10/645894710.db2.gz CZKOUHWQGRRIJB-QMMMGPOBSA-N 1 0 375.210 1.249 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415511726 645895819 /nfs/dbraw/zinc/89/58/19/645895819.db2.gz QVKGQCSKAWWBRF-SSDOTTSWSA-N 1 0 393.079 1.861 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])cc1Cl ZINC000415511200 645895833 /nfs/dbraw/zinc/89/58/33/645895833.db2.gz NMCMLKIVJDNWGA-VIFPVBQESA-N 1 0 378.256 1.668 20 0 GDADRO Cc1nc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)sc1SCC(N)=O ZINC000570797511 651055831 /nfs/dbraw/zinc/05/58/31/651055831.db2.gz GSTLQHBSIJDZOJ-NSHDSACASA-N 1 0 380.499 1.402 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000418095005 645908847 /nfs/dbraw/zinc/90/88/47/645908847.db2.gz VLNBRRCFHAWQGJ-UONOGXRCSA-N 1 0 381.274 1.591 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000419071849 645911463 /nfs/dbraw/zinc/91/14/63/645911463.db2.gz QGVBAIDZOYOFEI-OKILXGFUSA-N 1 0 380.286 1.727 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419074437 645912380 /nfs/dbraw/zinc/91/23/80/645912380.db2.gz DUWMXIQOYDMMKO-UHFFFAOYSA-N 1 0 382.302 1.713 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1ccc(O)c(Br)c1)C1CCCC1 ZINC000419402190 645916152 /nfs/dbraw/zinc/91/61/52/645916152.db2.gz BONOFWDONUNYEL-ZDUSSCGKSA-N 1 0 384.274 1.405 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000419460867 645918577 /nfs/dbraw/zinc/91/85/77/645918577.db2.gz JRAYLTDCXMRZIO-STQMWFEESA-N 1 0 394.313 1.983 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419460054 645918747 /nfs/dbraw/zinc/91/87/47/645918747.db2.gz HLTMXJIJVJASBP-CYBMUJFWSA-N 1 0 394.313 1.855 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NCCc1cc(Cl)ccc1Br ZINC000419487062 645920202 /nfs/dbraw/zinc/92/02/02/645920202.db2.gz ALVVKXNLKCUIHH-UHFFFAOYSA-N 1 0 376.682 1.487 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCc2cc(Cl)ccc2Br)C1 ZINC000419497884 645920854 /nfs/dbraw/zinc/92/08/54/645920854.db2.gz NPKJVRJPXSOIHB-SNVBAGLBSA-N 1 0 388.693 1.568 20 0 GDADRO CC(C)(CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1cccc(Br)c1 ZINC000419526124 645923032 /nfs/dbraw/zinc/92/30/32/645923032.db2.gz SJDFEJNVVUIJHU-AWEZNQCLSA-N 1 0 382.302 1.696 20 0 GDADRO Cc1nc(-c2ccc(S(=O)(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)s2)cs1 ZINC000570826427 651057531 /nfs/dbraw/zinc/05/75/31/651057531.db2.gz AJMWOYARYOFKJZ-GHMZBOCLSA-N 1 0 398.535 1.113 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419646461 645926377 /nfs/dbraw/zinc/92/63/77/645926377.db2.gz YYKDDLRFBHJPKJ-RISCZKNCSA-N 1 0 384.274 1.073 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419765359 645930716 /nfs/dbraw/zinc/93/07/16/645930716.db2.gz XATZACSOIBMREV-RYUDHWBXSA-N 1 0 385.295 1.557 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419771256 645931657 /nfs/dbraw/zinc/93/16/57/645931657.db2.gz FNDKGWNORKERNX-MNOVXSKESA-N 1 0 384.274 1.442 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c2C1)C1CC1 ZINC000419866978 645932320 /nfs/dbraw/zinc/93/23/20/645932320.db2.gz QGVFTFUMQXAYRO-CQSZACIVSA-N 1 0 384.249 1.326 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000420069900 645934746 /nfs/dbraw/zinc/93/47/46/645934746.db2.gz WDLRFVFNILNHMH-SWLSCSKDSA-N 1 0 386.279 1.827 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420062409 645934804 /nfs/dbraw/zinc/93/48/04/645934804.db2.gz MJGXSNAPEDINBI-CZUORRHYSA-N 1 0 394.313 1.966 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000420184133 645937657 /nfs/dbraw/zinc/93/76/57/645937657.db2.gz ALLBDZGZFXHQTL-AAEUAGOBSA-N 1 0 380.286 1.577 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000420337426 645940349 /nfs/dbraw/zinc/94/03/49/645940349.db2.gz MCFSJKMMBXYWIL-GJZGRUSLSA-N 1 0 388.555 1.326 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@@H](C[NH3+])C(C)(C)C ZINC000420370954 645942126 /nfs/dbraw/zinc/94/21/26/645942126.db2.gz WHBTVXGXFGUYBR-INIZCTEOSA-N 1 0 390.571 1.607 20 0 GDADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(I)cc2)CCCO1 ZINC000420386231 645942807 /nfs/dbraw/zinc/94/28/07/645942807.db2.gz IOQKMOUVPBGSGN-ZDUSSCGKSA-N 1 0 389.237 1.279 20 0 GDADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000420474089 645943665 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C[NH+]1CCC(CNS(=O)(=O)CCCC(C)(F)F)(N2CCOCC2)CC1 ZINC000916302831 660190767 /nfs/dbraw/zinc/19/07/67/660190767.db2.gz MRSIOFOGARUTGZ-UHFFFAOYSA-N 1 0 383.505 1.138 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421223256 645992813 /nfs/dbraw/zinc/99/28/13/645992813.db2.gz IQGRBUTWXNQCAN-UHFFFAOYSA-N 1 0 384.274 1.081 20 0 GDADRO CS(=O)(=O)c1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)s1 ZINC000421906582 646024077 /nfs/dbraw/zinc/02/40/77/646024077.db2.gz LGWUHBSRMKLWJU-AWEZNQCLSA-N 1 0 380.491 1.971 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000916570514 660195538 /nfs/dbraw/zinc/19/55/38/660195538.db2.gz HHSDWEVHJCEDTK-UHFFFAOYSA-N 1 0 398.282 1.825 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000422382438 646062716 /nfs/dbraw/zinc/06/27/16/646062716.db2.gz SFGDCFVUJOHGPS-TZMCWYRMSA-N 1 0 397.317 1.962 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000422382436 646062745 /nfs/dbraw/zinc/06/27/45/646062745.db2.gz SFGDCFVUJOHGPS-JSGCOSHPSA-N 1 0 397.317 1.962 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000422502450 646071040 /nfs/dbraw/zinc/07/10/40/646071040.db2.gz UCJBRLZBFLJRNY-UHFFFAOYSA-N 1 0 376.682 1.739 20 0 GDADRO CC(C)(CC[NH3+])NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000422554148 646078111 /nfs/dbraw/zinc/07/81/11/646078111.db2.gz LSXDYMDHYRZCQX-UHFFFAOYSA-N 1 0 389.543 1.267 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NC(C)(C)CC[NH3+] ZINC000422616716 646083471 /nfs/dbraw/zinc/08/34/71/646083471.db2.gz ISGCQVZMBQTNIV-UHFFFAOYSA-N 1 0 376.910 1.353 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)[C@@H](C)[NH3+] ZINC000422916188 646099293 /nfs/dbraw/zinc/09/92/93/646099293.db2.gz CRIXLEXWMGWBGA-CJNGLKHVSA-N 1 0 387.933 1.792 20 0 GDADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000422924756 646099890 /nfs/dbraw/zinc/09/98/90/646099890.db2.gz BCUXZYAMWBTMLK-NWDGAFQWSA-N 1 0 391.946 1.623 20 0 GDADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422958965 646103269 /nfs/dbraw/zinc/10/32/69/646103269.db2.gz ZTBBQVNJBYCUNJ-KGLIPLIRSA-N 1 0 384.274 1.062 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422971919 646104443 /nfs/dbraw/zinc/10/44/43/646104443.db2.gz KDLAHJFCIACSOZ-HZPDHXFCSA-N 1 0 394.313 1.851 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000423004913 646107951 /nfs/dbraw/zinc/10/79/51/646107951.db2.gz QGPUQQNMRDTEKF-RYUDHWBXSA-N 1 0 398.301 1.625 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423004383 646108016 /nfs/dbraw/zinc/10/80/16/646108016.db2.gz OVDZXKUYVPLIRE-NSHDSACASA-N 1 0 384.274 1.223 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000423042101 646110075 /nfs/dbraw/zinc/11/00/75/646110075.db2.gz YOZITOMKUFVQBM-LSDHHAIUSA-N 1 0 395.301 1.831 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000423070331 646110857 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GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000423241911 646121935 /nfs/dbraw/zinc/12/19/35/646121935.db2.gz LTJIHOMHEUUDPG-HNNXBMFYSA-N 1 0 388.295 1.961 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000423450171 646124962 /nfs/dbraw/zinc/12/49/62/646124962.db2.gz DRSLKPUBSDIIMP-STQMWFEESA-N 1 0 382.302 1.925 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000423552120 646129570 /nfs/dbraw/zinc/12/95/70/646129570.db2.gz GYEAAEZHXJTAHK-UHFFFAOYSA-N 1 0 382.302 1.746 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000423577169 646132096 /nfs/dbraw/zinc/13/20/96/646132096.db2.gz GFXXHYRBSORWCH-TZMCWYRMSA-N 1 0 396.285 1.551 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423579522 646132565 /nfs/dbraw/zinc/13/25/65/646132565.db2.gz OOBBGNMYWRPZEY-KRWDZBQOSA-N 1 0 398.276 1.759 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000423589281 646134578 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GDADRO CN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@@H](C[NH3+])C1CC1 ZINC000423956404 646146382 /nfs/dbraw/zinc/14/63/82/646146382.db2.gz SZHGVXIKEZCIGT-DOMZBBRYSA-N 1 0 380.286 1.998 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)[C@H](C[NH3+])C3CC3)C2)s1 ZINC000423966362 646147577 /nfs/dbraw/zinc/14/75/77/646147577.db2.gz YZVBCDZHFJJGQI-HUUCEWRRSA-N 1 0 385.555 1.653 20 0 GDADRO O=C(CSCc1ccc(Br)cc1F)NC[C@@H]1C[NH2+]CCO1 ZINC000423984095 646148794 /nfs/dbraw/zinc/14/87/94/646148794.db2.gz BLCOZHMUWCKODC-LBPRGKRZSA-N 1 0 377.279 1.926 20 0 GDADRO [NH3+]CCCCn1cc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)nn1 ZINC000423984344 646148988 /nfs/dbraw/zinc/14/89/88/646148988.db2.gz BVFOGGLIHUNJBX-ZDUSSCGKSA-N 1 0 398.236 1.782 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423992278 646150591 /nfs/dbraw/zinc/15/05/91/646150591.db2.gz OFHQWKJAPYAKQK-KGLIPLIRSA-N 1 0 386.539 1.456 20 0 GDADRO COc1cc(Br)ccc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423999441 646151115 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C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424021458 646153852 /nfs/dbraw/zinc/15/38/52/646153852.db2.gz NTCHFJPYEMZYQR-NXEZZACHSA-N 1 0 390.303 1.205 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000424045549 646156052 /nfs/dbraw/zinc/15/60/52/646156052.db2.gz ICRCTKGWBCIABF-UHFFFAOYSA-N 1 0 381.274 1.793 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)c3ccccc3I)C[C@H]2[NH3+])cn1 ZINC000424232749 646168499 /nfs/dbraw/zinc/16/84/99/646168499.db2.gz HRNXADKLQHUBRH-GXTWGEPZSA-N 1 0 396.232 1.592 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)CCOc3cccc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000424239235 646169811 /nfs/dbraw/zinc/16/98/11/646169811.db2.gz NXPKAWQWSLJLHI-JKSUJKDBSA-N 1 0 393.285 1.905 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424291366 646174008 /nfs/dbraw/zinc/17/40/08/646174008.db2.gz NRYGEWQEHIOKDA-HUUCEWRRSA-N 1 0 388.555 1.504 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424362585 646174727 /nfs/dbraw/zinc/17/47/27/646174727.db2.gz MGFWXJHVIUKMIA-CHWSQXEVSA-N 1 0 389.905 1.599 20 0 GDADRO CS(=O)(=O)C1CC([NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000892446764 658326942 /nfs/dbraw/zinc/32/69/42/658326942.db2.gz JODDXNYJRCDTJX-UHFFFAOYSA-N 1 0 386.539 1.526 20 0 GDADRO CCC[N@@H+](CC(=O)NC)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439434597 646231524 /nfs/dbraw/zinc/23/15/24/646231524.db2.gz SRMOCWBLULDSIU-ZDUSSCGKSA-N 1 0 377.254 1.786 20 0 GDADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439453019 646234703 /nfs/dbraw/zinc/23/47/03/646234703.db2.gz ONJYCUIPPIPQLC-SUNKGSAMSA-N 1 0 389.265 1.914 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCCCC1 ZINC000440522574 646246797 /nfs/dbraw/zinc/24/67/97/646246797.db2.gz ZXTNQWMRJAGAPM-UHFFFAOYSA-N 1 0 387.527 1.067 20 0 GDADRO CC[C@@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440517509 646246916 /nfs/dbraw/zinc/24/69/16/646246916.db2.gz IKRMTYUGCBBKDB-ZIAGYGMSSA-N 1 0 376.544 1.735 20 0 GDADRO COc1c(F)cc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc1F ZINC000917551606 660215535 /nfs/dbraw/zinc/21/55/35/660215535.db2.gz DVNMKBCRIVIMQZ-UHFFFAOYSA-N 1 0 378.441 1.487 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000917903235 660224321 /nfs/dbraw/zinc/22/43/21/660224321.db2.gz IEUSWDFVPIUIJM-UHFFFAOYSA-N 1 0 378.325 1.861 20 0 GDADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000896222395 658758770 /nfs/dbraw/zinc/75/87/70/658758770.db2.gz ZPFPWYVZTDXGRT-LLVKDONJSA-N 1 0 378.464 1.851 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cccc(S(N)(=O)=O)c1 ZINC000903477403 659316620 /nfs/dbraw/zinc/31/66/20/659316620.db2.gz AMFBQPNKOOIHHD-ZYHUDNBSSA-N 1 0 399.314 1.959 20 0 GDADRO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)C1 ZINC000903479407 659316664 /nfs/dbraw/zinc/31/66/64/659316664.db2.gz CEQIJRULJCPDGQ-GFCCVEGCSA-N 1 0 379.404 1.019 20 0 GDADRO C[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1CC[NH3+] ZINC000903495949 659318328 /nfs/dbraw/zinc/31/83/28/659318328.db2.gz CXRBLEHZNREIMR-CHWSQXEVSA-N 1 0 397.317 1.421 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)sc1Br ZINC000918955073 660243813 /nfs/dbraw/zinc/24/38/13/660243813.db2.gz BTZGEDOSRYCMAI-ZDUSSCGKSA-N 1 0 397.360 1.896 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000918964341 660244210 /nfs/dbraw/zinc/24/42/10/660244210.db2.gz ZQWLYODEYRESOH-OAHLLOKOSA-N 1 0 382.404 1.504 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000442773163 647163760 /nfs/dbraw/zinc/16/37/60/647163760.db2.gz WSAQWJDORRGKPY-NWDGAFQWSA-N 1 0 388.921 1.198 20 0 GDADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC[N@@H+]1C ZINC000442959149 647165824 /nfs/dbraw/zinc/16/58/24/647165824.db2.gz YLVQDUNXKVWXGL-JOYOIKCWSA-N 1 0 390.303 1.309 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1F ZINC000444072740 647238845 /nfs/dbraw/zinc/23/88/45/647238845.db2.gz FIZYEMPETIUTHT-GFCCVEGCSA-N 1 0 384.395 1.970 20 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CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ncn(C)c3Cl)C2)[C@H]1C(C)C ZINC000920295199 660269294 /nfs/dbraw/zinc/26/92/94/660269294.db2.gz JYKQQJYJUIXOLJ-JXFSHQFZSA-N 1 0 390.937 1.222 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000445553562 647270013 /nfs/dbraw/zinc/27/00/13/647270013.db2.gz MPVXSWIQEXXFCH-NWDGAFQWSA-N 1 0 391.515 1.005 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000445554110 647270222 /nfs/dbraw/zinc/27/02/22/647270222.db2.gz YKJSQTGSUDKDEJ-STQMWFEESA-N 1 0 380.919 1.433 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000445558275 647270944 /nfs/dbraw/zinc/27/09/44/647270944.db2.gz OHWDEIHFOHJUDT-WDEREUQCSA-N 1 0 379.479 1.136 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000445815494 647274170 /nfs/dbraw/zinc/27/41/70/647274170.db2.gz LGYWCTFIEBGZCK-CYBMUJFWSA-N 1 0 395.294 1.981 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000453732525 647331037 /nfs/dbraw/zinc/33/10/37/647331037.db2.gz DCKYIJYQOGRWDF-UHFFFAOYSA-N 1 0 390.253 1.577 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1)[NH+](C)C ZINC000453955205 647349575 /nfs/dbraw/zinc/34/95/75/647349575.db2.gz FUJJBIISRXPLQX-NSHDSACASA-N 1 0 385.306 1.516 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455854998 647390836 /nfs/dbraw/zinc/39/08/36/647390836.db2.gz FEEBPFUWLSHOIF-UHFFFAOYSA-N 1 0 399.293 1.972 20 0 GDADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCCS(N)(=O)=O)CC1 ZINC000455950680 647393747 /nfs/dbraw/zinc/39/37/47/647393747.db2.gz YGVXISQNNIXZES-UHFFFAOYSA-N 1 0 390.893 1.223 20 0 GDADRO C[C@@H](C(=O)NC(C)(C)C[NH+](C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000457208514 647415707 /nfs/dbraw/zinc/41/57/07/647415707.db2.gz NNFWBYGMCAVIFQ-JTQLQIEISA-N 1 0 396.285 1.890 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000457362290 647418374 /nfs/dbraw/zinc/41/83/74/647418374.db2.gz MIUUYPRREVGGMA-NSHDSACASA-N 1 0 389.315 1.972 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000458234367 647438506 /nfs/dbraw/zinc/43/85/06/647438506.db2.gz YHXRGPTVQTYXCJ-UHFFFAOYSA-N 1 0 385.511 1.594 20 0 GDADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000460903275 647477962 /nfs/dbraw/zinc/47/79/62/647477962.db2.gz VOJBZNPSQDDHEI-UHFFFAOYSA-N 1 0 390.571 1.974 20 0 GDADRO CCc1ncc(S(=O)(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000460956982 647481029 /nfs/dbraw/zinc/48/10/29/647481029.db2.gz LJWJINOLQHXGQH-GASCZTMLSA-N 1 0 386.587 1.885 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000461760202 647500937 /nfs/dbraw/zinc/50/09/37/647500937.db2.gz ULHLMAALHWWECQ-QWHCGFSZSA-N 1 0 387.468 1.725 20 0 GDADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cccc(I)c1 ZINC000461898558 647503276 /nfs/dbraw/zinc/50/32/76/647503276.db2.gz HCPYCOUGHMLDJD-GFCCVEGCSA-N 1 0 380.251 1.649 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2scnc2C(=O)OC)C1 ZINC000462668926 647537841 /nfs/dbraw/zinc/53/78/41/647537841.db2.gz FBHBEBAGYRGMDI-LBPRGKRZSA-N 1 0 391.515 1.051 20 0 GDADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)CCCN1CCOCC1 ZINC000463850978 647567151 /nfs/dbraw/zinc/56/71/51/647567151.db2.gz ZEVFGGDFWSQOPO-MSOLQXFVSA-N 1 0 375.579 1.529 20 0 GDADRO CCC1(CC)C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CCS1 ZINC000464578803 647584938 /nfs/dbraw/zinc/58/49/38/647584938.db2.gz PSUNBSCPJOLSCU-UHFFFAOYSA-N 1 0 393.619 1.770 20 0 GDADRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000464777839 647588572 /nfs/dbraw/zinc/58/85/72/647588572.db2.gz RRNQTYFHRQEOER-CVEARBPZSA-N 1 0 393.619 1.769 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1Br ZINC000466829685 647620398 /nfs/dbraw/zinc/62/03/98/647620398.db2.gz XMXQXFRGFRDFIU-UHFFFAOYSA-N 1 0 397.317 1.660 20 0 GDADRO O=C(NCc1cnc(Br)cn1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000921529056 660307494 /nfs/dbraw/zinc/30/74/94/660307494.db2.gz CWWLPOBAYAMDLB-KGLIPLIRSA-N 1 0 398.305 1.416 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccc(S(C)(=O)=O)s2)CCSC1 ZINC000468668197 647670127 /nfs/dbraw/zinc/67/01/27/647670127.db2.gz QGTIJXZWPZRWQB-CQSZACIVSA-N 1 0 377.557 1.388 20 0 GDADRO CCc1n[nH]c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1Br ZINC000469221750 647699907 /nfs/dbraw/zinc/69/99/07/647699907.db2.gz NRFYAULXRJNHLV-SNVBAGLBSA-N 1 0 386.294 1.052 20 0 GDADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000469987705 647718633 /nfs/dbraw/zinc/71/86/33/647718633.db2.gz URYLANXQJBYYCO-XHSDSOJGSA-N 1 0 375.579 1.967 20 0 GDADRO COc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c(Br)c1O ZINC000470008572 647719670 /nfs/dbraw/zinc/71/96/70/647719670.db2.gz JAAMPRZKQVYTMD-LBPRGKRZSA-N 1 0 386.290 1.450 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc[nH]c(=O)c1Br ZINC000470504632 647728501 /nfs/dbraw/zinc/72/85/01/647728501.db2.gz NQCJZPHEQJPPER-NSHDSACASA-N 1 0 384.274 1.875 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2sc(C(=O)OC)cc2OC)C1 ZINC000472587643 647757113 /nfs/dbraw/zinc/75/71/13/647757113.db2.gz ZDERWJXXKTTWNQ-NSHDSACASA-N 1 0 376.500 1.554 20 0 GDADRO CN(C(=O)CNC(=O)c1cccc(Br)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000475828217 647766551 /nfs/dbraw/zinc/76/65/51/647766551.db2.gz KDOQUTSYOXIXFL-OAHLLOKOSA-N 1 0 380.286 1.874 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1cccc(Cl)c1C(=O)OC)C[NH+](C)C ZINC000921630311 660316347 /nfs/dbraw/zinc/31/63/47/660316347.db2.gz GPGXEAMLQYVXOM-LLVKDONJSA-N 1 0 378.878 1.372 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(CC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000476236024 647775266 /nfs/dbraw/zinc/77/52/66/647775266.db2.gz USESQPNZYVIQGQ-KRWDZBQOSA-N 1 0 385.555 1.033 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1cc(C(=O)OC)ccc1Cl)C[NH+](C)C ZINC000921638469 660317947 /nfs/dbraw/zinc/31/79/47/660317947.db2.gz YCLJVAVKRAXXRX-GFCCVEGCSA-N 1 0 378.878 1.372 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1ccc(Br)nc1F)C[NH+](C)C ZINC000921637615 660317971 /nfs/dbraw/zinc/31/79/71/660317971.db2.gz URZQFZJCSKYCHS-SECBINFHSA-N 1 0 384.271 1.228 20 0 GDADRO COC(=O)CC1(CS(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000477129614 647794633 /nfs/dbraw/zinc/79/46/33/647794633.db2.gz WGQLOZWKKXRUGK-UONOGXRCSA-N 1 0 376.544 1.171 20 0 GDADRO CC(C)OCCS(=O)(=O)NCC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000477203253 647798083 /nfs/dbraw/zinc/79/80/83/647798083.db2.gz NZSQHHJHGYZXMH-UHFFFAOYSA-N 1 0 377.551 1.102 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)c(Br)c1 ZINC000479763736 647835496 /nfs/dbraw/zinc/83/54/96/647835496.db2.gz QGAGEZCPJSRVBZ-MGCOHNPYSA-N 1 0 377.260 1.394 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479756618 647835600 /nfs/dbraw/zinc/83/56/00/647835600.db2.gz QXTXTUPSCSGQKU-SDDRHHMPSA-N 1 0 385.249 1.769 20 0 GDADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000479796282 647836496 /nfs/dbraw/zinc/83/64/96/647836496.db2.gz MQCQUMLTSOZUFF-SECBINFHSA-N 1 0 379.276 1.512 20 0 GDADRO Cc1c(Br)cccc1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000480161852 647840746 /nfs/dbraw/zinc/84/07/46/647840746.db2.gz AVQBHOPHSXCGOP-HNNXBMFYSA-N 1 0 382.302 1.756 20 0 GDADRO CCCCS(=O)(=O)N1CCC(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000480232561 647841714 /nfs/dbraw/zinc/84/17/14/647841714.db2.gz UHWIGDZJHLBQJJ-QGZVFWFLSA-N 1 0 391.603 1.382 20 0 GDADRO C[NH+](C)C[C@@H](O)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480245245 647841740 /nfs/dbraw/zinc/84/17/40/647841740.db2.gz YZKJSKOLGSCZNY-AAEUAGOBSA-N 1 0 377.304 1.180 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000480523033 647852335 /nfs/dbraw/zinc/85/23/35/647852335.db2.gz VTNNGMSUDOYOTN-VXGBXAGGSA-N 1 0 390.315 1.897 20 0 GDADRO Cc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1I ZINC000489547132 647977369 /nfs/dbraw/zinc/97/73/69/647977369.db2.gz CNIKHRMQAILMQZ-UHFFFAOYSA-N 1 0 382.267 1.782 20 0 GDADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCCOCC[NH+](C)C)c1 ZINC000489637818 647978642 /nfs/dbraw/zinc/97/86/42/647978642.db2.gz JPJZWRHIYLDKPU-UHFFFAOYSA-N 1 0 378.878 1.373 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1CC[NH+](CC)CC1 ZINC000491346135 647993449 /nfs/dbraw/zinc/99/34/49/647993449.db2.gz LCDBDIQOIHZOMT-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO COc1cc(C[NH2+]CC2CN(S(C)(=O)=O)C2)ccc1OCC(F)(F)F ZINC000495179295 648010735 /nfs/dbraw/zinc/01/07/35/648010735.db2.gz ALLZBAYHTSZSRR-UHFFFAOYSA-N 1 0 382.404 1.617 20 0 GDADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000495634481 648014332 /nfs/dbraw/zinc/01/43/32/648014332.db2.gz BPQQJSIWWOVKRO-HNNXBMFYSA-N 1 0 396.329 1.908 20 0 GDADRO CSCC[C@H](NC(=O)c1ccco1)C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000495713550 648015035 /nfs/dbraw/zinc/01/50/35/648015035.db2.gz QXJMGIHNQCXNDN-KCQAQPDRSA-N 1 0 385.555 1.635 20 0 GDADRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000497358273 648027167 /nfs/dbraw/zinc/02/71/67/648027167.db2.gz OTTFLPLLMYEVMJ-ZDUSSCGKSA-N 1 0 375.560 1.715 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@H](C)C[NH3+] ZINC000497357911 648027175 /nfs/dbraw/zinc/02/71/75/648027175.db2.gz KTIIZEGBKKBSRN-SNVBAGLBSA-N 1 0 381.292 1.442 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000497368238 648028373 /nfs/dbraw/zinc/02/83/73/648028373.db2.gz OOMMKQPGGSAAEO-LBPRGKRZSA-N 1 0 394.946 1.553 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCNc2cccc(Br)c2)C1 ZINC000497679952 648034421 /nfs/dbraw/zinc/03/44/21/648034421.db2.gz VCHIZKUZKCTCGO-HNNXBMFYSA-N 1 0 385.306 1.881 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000497728019 648036185 /nfs/dbraw/zinc/03/61/85/648036185.db2.gz DRLGWXQGXOAOHI-RYUDHWBXSA-N 1 0 391.287 1.151 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000498196521 648050237 /nfs/dbraw/zinc/05/02/37/648050237.db2.gz TYRHVSRNHJOSAE-CQSZACIVSA-N 1 0 375.441 1.460 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000498193336 648050367 /nfs/dbraw/zinc/05/03/67/648050367.db2.gz SOUDQMSIGFASKQ-GFCCVEGCSA-N 1 0 381.832 1.155 20 0 GDADRO COc1ccc(CN(C(=O)[C@@H]([NH3+])CC(F)F)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000498215611 648051776 /nfs/dbraw/zinc/05/17/76/648051776.db2.gz IKCWZCNDCINUAB-OCCSQVGLSA-N 1 0 376.425 1.193 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000498662247 648063936 /nfs/dbraw/zinc/06/39/36/648063936.db2.gz YFNXZXKMEPCFTN-UHFFFAOYSA-N 1 0 394.273 1.787 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000498942930 648070301 /nfs/dbraw/zinc/07/03/01/648070301.db2.gz NHALEBOZKHAQGF-ZDUSSCGKSA-N 1 0 395.301 1.790 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000499904733 648094952 /nfs/dbraw/zinc/09/49/52/648094952.db2.gz NIYSAQPZKHDDQH-HNNXBMFYSA-N 1 0 379.592 1.428 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NCCS(=O)(=O)NC1CC1)c1ccsc1 ZINC000501131625 648130655 /nfs/dbraw/zinc/13/06/55/648130655.db2.gz PTKCICROBFCNCQ-OAHLLOKOSA-N 1 0 388.559 1.512 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000501249602 648134446 /nfs/dbraw/zinc/13/44/46/648134446.db2.gz SRKOHTASXANKIJ-CYBMUJFWSA-N 1 0 389.543 1.229 20 0 GDADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000502836512 648173965 /nfs/dbraw/zinc/17/39/65/648173965.db2.gz VUQGYEOTFAWHDB-UONOGXRCSA-N 1 0 389.315 1.727 20 0 GDADRO CCOC[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(C)C ZINC000503430105 648186200 /nfs/dbraw/zinc/18/62/00/648186200.db2.gz SWNSYNSCJRZISG-AWEZNQCLSA-N 1 0 377.894 1.577 20 0 GDADRO CC(C)[NH+](CCNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C(C)C ZINC000506176545 648215268 /nfs/dbraw/zinc/21/52/68/648215268.db2.gz PIFZMMCRGGIVIU-AWEZNQCLSA-N 1 0 391.559 1.301 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)N1CCC1 ZINC000508820104 648259603 /nfs/dbraw/zinc/25/96/03/648259603.db2.gz BJAUQRHBOWHLHT-UHFFFAOYSA-N 1 0 376.320 1.763 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000509723274 648297931 /nfs/dbraw/zinc/29/79/31/648297931.db2.gz DQVWAYJIODUFRN-ZDUSSCGKSA-N 1 0 385.486 1.876 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1C ZINC000510033770 648313519 /nfs/dbraw/zinc/31/35/19/648313519.db2.gz JGPIPOISGCXGQA-CVEARBPZSA-N 1 0 386.539 1.838 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1C ZINC000510033777 648313558 /nfs/dbraw/zinc/31/35/58/648313558.db2.gz JGPIPOISGCXGQA-HZPDHXFCSA-N 1 0 386.539 1.838 20 0 GDADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000510536686 648330022 /nfs/dbraw/zinc/33/00/22/648330022.db2.gz YTKKBOPXQCJCAF-UHFFFAOYSA-N 1 0 375.535 1.314 20 0 GDADRO O=C(CNC(=O)C[N@H+](CCO)CC1CC1)Nc1ccccc1Br ZINC000510917259 648344576 /nfs/dbraw/zinc/34/45/76/648344576.db2.gz AJKSLCQFKDFBEQ-UHFFFAOYSA-N 1 0 384.274 1.208 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCn1cc(Br)cn1 ZINC000511235151 648361696 /nfs/dbraw/zinc/36/16/96/648361696.db2.gz PYDWHROLIWITMP-AWEZNQCLSA-N 1 0 388.310 1.398 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)NCCn2cc(Br)cn2)CC1 ZINC000511252209 648363624 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C[NH+](C)C(C)(C)CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000514638337 648457254 /nfs/dbraw/zinc/45/72/54/648457254.db2.gz IREZTKQYVYYTQU-UHFFFAOYSA-N 1 0 392.319 1.184 20 0 GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000514861519 648470121 /nfs/dbraw/zinc/47/01/21/648470121.db2.gz KQTHHRZBXZDQNO-LLVKDONJSA-N 1 0 390.433 1.963 20 0 GDADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2N1 ZINC000515176606 648483568 /nfs/dbraw/zinc/48/35/68/648483568.db2.gz XPUCEIGRXBNKQB-SWLSCSKDSA-N 1 0 383.901 1.891 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000515235159 648486814 /nfs/dbraw/zinc/48/68/14/648486814.db2.gz TUDQPWJGCUYUBJ-GFCCVEGCSA-N 1 0 392.319 1.695 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000516180970 648516418 /nfs/dbraw/zinc/51/64/18/648516418.db2.gz VQSZQWFUCCGVJF-NSHDSACASA-N 1 0 377.894 1.959 20 0 GDADRO C[C@H]1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC[NH2+]1 ZINC000516180019 648516555 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CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000571048011 651064527 /nfs/dbraw/zinc/06/45/27/651064527.db2.gz XUZMMOQNVXSZKS-LOWVWBTDSA-N 1 0 377.507 1.078 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571180505 651068212 /nfs/dbraw/zinc/06/82/12/651068212.db2.gz INSVMOCLCLVZTR-JQWIXIFHSA-N 1 0 397.273 1.542 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC(CC[NH3+])CC2)s1 ZINC000571293065 651071996 /nfs/dbraw/zinc/07/19/96/651071996.db2.gz CGQMLIRURYYOHH-OAHLLOKOSA-N 1 0 385.555 1.797 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)NCc1nn(C)cc1I ZINC000571404868 651076241 /nfs/dbraw/zinc/07/62/41/651076241.db2.gz ZIFXUDKFJVTWEM-UHFFFAOYSA-N 1 0 379.246 1.118 20 0 GDADRO COc1cc(NC[C@@H](O)C[NH+]2CCN(C)CC2)cc(OC)c1Br ZINC000571516542 651078699 /nfs/dbraw/zinc/07/86/99/651078699.db2.gz WXACOHLQKBLURJ-CYBMUJFWSA-N 1 0 388.306 1.487 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000571643200 651080244 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[NH3+]C[C@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CCO1 ZINC000572241835 651092892 /nfs/dbraw/zinc/09/28/92/651092892.db2.gz JVCYVROWIXMKQV-HOTGVXAUSA-N 1 0 382.302 1.772 20 0 GDADRO O[C@H](C[NH2+]CCCN1CCC(O)CC1)COc1ccc(Br)cc1 ZINC000572363829 651095116 /nfs/dbraw/zinc/09/51/16/651095116.db2.gz JDAKHABYCITLLG-MRXNPFEDSA-N 1 0 387.318 1.625 20 0 GDADRO CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000572500447 651098807 /nfs/dbraw/zinc/09/88/07/651098807.db2.gz SIPGMPIBPYGMDO-TZMCWYRMSA-N 1 0 387.889 1.188 20 0 GDADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C[C@@H](C)C1 ZINC000572509650 651099047 /nfs/dbraw/zinc/09/90/47/651099047.db2.gz SXNSLYCUUCMKQK-DMDPSCGWSA-N 1 0 393.289 1.689 20 0 GDADRO CCN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000572517942 651099227 /nfs/dbraw/zinc/09/92/27/651099227.db2.gz QSGOZUOXRAPOJE-HOTGVXAUSA-N 1 0 385.555 1.445 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1OC ZINC000572761927 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CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC[C@@H]1[NH3+] ZINC000642355265 653578270 /nfs/dbraw/zinc/57/82/70/653578270.db2.gz UBQGDPVBZSLJTG-BBBLOLIVSA-N 1 0 378.420 1.925 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642640542 653578900 /nfs/dbraw/zinc/57/89/00/653578900.db2.gz WTVCJGPODGEYLS-AWEZNQCLSA-N 1 0 388.295 1.885 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000642650969 653578970 /nfs/dbraw/zinc/57/89/70/653578970.db2.gz JXOUJOBOTUWBQS-CQSZACIVSA-N 1 0 395.301 1.012 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000642908577 653579731 /nfs/dbraw/zinc/57/97/31/653579731.db2.gz WWBDJVVJZUUPTL-FZMZJTMJSA-N 1 0 383.290 1.315 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCc4nnnn4CC3)cnc12 ZINC000643297186 653581405 /nfs/dbraw/zinc/58/14/05/653581405.db2.gz MGXIVVASVWWAFZ-GFCCVEGCSA-N 1 0 376.262 1.886 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000643471910 653582930 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O=C(C[NH2+]C1(CO)CCCCC1)NCC(=O)Nc1ccccc1Br ZINC000678974820 654698501 /nfs/dbraw/zinc/69/85/01/654698501.db2.gz XOZWNOXIBSKUNT-UHFFFAOYSA-N 1 0 398.301 1.789 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000742302439 654701553 /nfs/dbraw/zinc/70/15/53/654701553.db2.gz ZBJIRALPRHPSNM-LSDHHAIUSA-N 1 0 375.535 1.742 20 0 GDADRO CCC[NH+]1CCC(Nc2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000679467321 654702765 /nfs/dbraw/zinc/70/27/65/654702765.db2.gz YUJDRYHXLRLKRS-UHFFFAOYSA-N 1 0 377.308 1.778 20 0 GDADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000679739079 654706240 /nfs/dbraw/zinc/70/62/40/654706240.db2.gz JVNQZKNJQAJISL-HNNXBMFYSA-N 1 0 385.917 1.520 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)COc1ccc(C=O)cc1Br ZINC000742642090 654707694 /nfs/dbraw/zinc/70/76/94/654707694.db2.gz NPROAGCWFASDKT-UHFFFAOYSA-N 1 0 387.274 1.677 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c(F)c1 ZINC000681157832 654723564 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GDADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000851921490 655603917 /nfs/dbraw/zinc/60/39/17/655603917.db2.gz SLXRYJUPKCAZIW-ZDUSSCGKSA-N 1 0 378.362 1.355 20 0 GDADRO CN1CC[NH+](CC2(C)CCN(CCn3cnc(Br)n3)CC2)CC1 ZINC000851934518 655604053 /nfs/dbraw/zinc/60/40/53/655604053.db2.gz LDPNGVGBMPUWKQ-UHFFFAOYSA-N 1 0 385.354 1.390 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000852045752 655606620 /nfs/dbraw/zinc/60/66/20/655606620.db2.gz MQXRXLCINFWZTB-UXXRCYHCSA-N 1 0 376.519 1.422 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000852061270 655606993 /nfs/dbraw/zinc/60/69/93/655606993.db2.gz MCRMRLIABOPSQN-RYUDHWBXSA-N 1 0 390.339 1.961 20 0 GDADRO C[N@H+](C[C@H](O)c1ccccc1Br)C[C@](O)(C(N)=O)c1ccccc1 ZINC000852149039 655608748 /nfs/dbraw/zinc/60/87/48/655608748.db2.gz DASCZJNUZPHQAE-FUHWJXTLSA-N 1 0 393.281 1.787 20 0 GDADRO COC(=O)c1nc(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1Cl ZINC000852181858 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Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852773036 655622400 /nfs/dbraw/zinc/62/24/00/655622400.db2.gz URMLXYITSVLIAZ-HNNXBMFYSA-N 1 0 396.285 1.581 20 0 GDADRO O=C(C=C1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000852802062 655622877 /nfs/dbraw/zinc/62/28/77/655622877.db2.gz BVPKGUNVCSQEFQ-UHFFFAOYSA-N 1 0 383.901 1.483 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1sc2c(c1Br)CNC2 ZINC000852798443 655622917 /nfs/dbraw/zinc/62/29/17/655622917.db2.gz KGEXGUJHZYUPBH-VHSXEESVSA-N 1 0 386.315 1.707 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)=NO1 ZINC000852818691 655623529 /nfs/dbraw/zinc/62/35/29/655623529.db2.gz ZEDMNUYCZHNZCW-CQSZACIVSA-N 1 0 396.285 1.717 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NCCc2ccc(I)s2)=NO1 ZINC000852832984 655623841 /nfs/dbraw/zinc/62/38/41/655623841.db2.gz SJWYKANYYCUFMG-ZETCQYMHSA-N 1 0 379.223 1.115 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(n2nncc2I)CC1 ZINC000852861425 655624434 /nfs/dbraw/zinc/62/44/34/655624434.db2.gz 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C[C@]1(NC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)CC[NH2+]C1 ZINC000853340718 655638504 /nfs/dbraw/zinc/63/85/04/655638504.db2.gz GFFZUWIAWBDBOL-HNNXBMFYSA-N 1 0 384.230 1.027 20 0 GDADRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc3c(c2)S(=O)(=O)N=C3Cl)C1 ZINC000853450291 655639817 /nfs/dbraw/zinc/63/98/17/655639817.db2.gz UCRGMHDFSSNPKB-SECBINFHSA-N 1 0 398.901 1.464 20 0 GDADRO CS[C@@H]1CN(c2ccc(C(=O)C3CC3)cc2S(N)(=O)=O)C[C@H]1[NH+](C)C ZINC000853461489 655640139 /nfs/dbraw/zinc/64/01/39/655640139.db2.gz TVPXLRIJSGSEBP-HUUCEWRRSA-N 1 0 383.539 1.409 20 0 GDADRO CN1C(=S)N=NC1[C@H]1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000853821145 655651073 /nfs/dbraw/zinc/65/10/73/655651073.db2.gz UPYBOIXSMSJWAY-LRDDRELGSA-N 1 0 384.575 1.430 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000854278499 655659905 /nfs/dbraw/zinc/65/99/05/655659905.db2.gz WZVFQDIMLNESBW-LBPRGKRZSA-N 1 0 397.155 1.636 20 0 GDADRO C[NH+]1CCN(CCC(C)(C)NC(=O)NCC[S@@](=O)CC(F)(F)F)CC1 ZINC000854304966 655661014 /nfs/dbraw/zinc/66/10/14/655661014.db2.gz IKYZZNBOHVVHPU-RUZDIDTESA-N 1 0 386.484 1.013 20 0 GDADRO CC(C)(C)n1ncc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1Br ZINC000854354531 655663799 /nfs/dbraw/zinc/66/37/99/655663799.db2.gz SFROJZGCBBLWCV-LBPRGKRZSA-N 1 0 384.322 1.520 20 0 GDADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000854654829 655673615 /nfs/dbraw/zinc/67/36/15/655673615.db2.gz MMZJVLZFODFZGQ-MFKMUULPSA-N 1 0 379.262 1.589 20 0 GDADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C2 ZINC000854736685 655675416 /nfs/dbraw/zinc/67/54/16/655675416.db2.gz GTQIRYKYVYUTCJ-MRXNPFEDSA-N 1 0 389.880 1.684 20 0 GDADRO CC(C)(C)n1ncc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1Br ZINC000854742552 655675635 /nfs/dbraw/zinc/67/56/35/655675635.db2.gz FFIUUQSDWXRKQX-GFCCVEGCSA-N 1 0 387.322 1.977 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000855414762 655693710 /nfs/dbraw/zinc/69/37/10/655693710.db2.gz LAFSBUYBDQYSDX-INIZCTEOSA-N 1 0 384.318 1.752 20 0 GDADRO C[C@H](CCNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)[NH+](C)C ZINC000855417214 655693742 /nfs/dbraw/zinc/69/37/42/655693742.db2.gz DYRGSTANYKIZCB-SECBINFHSA-N 1 0 378.292 1.167 20 0 GDADRO Cn1nnc(Br)c1C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000855733161 655700742 /nfs/dbraw/zinc/70/07/42/655700742.db2.gz QNMAIMDPHUGBHG-AWEZNQCLSA-N 1 0 392.301 1.967 20 0 GDADRO O=C(c1nccn2c(Br)cnc12)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856253480 655710897 /nfs/dbraw/zinc/71/08/97/655710897.db2.gz MQHXRJJKTWLFMF-LBPRGKRZSA-N 1 0 394.273 1.163 20 0 GDADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)NCC[C@H](C)[NH3+] ZINC000857109086 655728079 /nfs/dbraw/zinc/72/80/79/655728079.db2.gz IEEJYAJLTHTFQW-RYUDHWBXSA-N 1 0 388.306 1.645 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(Br)nc2n1CCOC2 ZINC000857109546 655728084 /nfs/dbraw/zinc/72/80/84/655728084.db2.gz MGYRSIADYALLGM-NSHDSACASA-N 1 0 387.278 1.016 20 0 GDADRO C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC1 ZINC000857769832 655741521 /nfs/dbraw/zinc/74/15/21/655741521.db2.gz RGXGNIMWCWPFHY-UHFFFAOYSA-N 1 0 380.495 1.076 20 0 GDADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1cn(C)nc1Br ZINC000858141138 655744902 /nfs/dbraw/zinc/74/49/02/655744902.db2.gz NGYILUOULMUJQJ-CQSZACIVSA-N 1 0 393.333 1.878 20 0 GDADRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)C1 ZINC000858592384 655749683 /nfs/dbraw/zinc/74/96/83/655749683.db2.gz AJTQFSYVPGXYNT-HEHGZKQESA-N 1 0 390.527 1.488 20 0 GDADRO [NH3+]CCC1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC1 ZINC000858615433 655750438 /nfs/dbraw/zinc/75/04/38/655750438.db2.gz JLTVWPOWZLIKOS-UHFFFAOYSA-N 1 0 379.404 1.937 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c(C)s1 ZINC000858616194 655750628 /nfs/dbraw/zinc/75/06/28/655750628.db2.gz PBZSXXLNRZPPCY-KGLIPLIRSA-N 1 0 385.511 1.311 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)ccc1Cl ZINC000858618151 655750725 /nfs/dbraw/zinc/75/07/25/655750725.db2.gz UEHLSZYXMXUEFZ-CYBMUJFWSA-N 1 0 378.903 1.306 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858877606 655754419 /nfs/dbraw/zinc/75/44/19/655754419.db2.gz WVKJMRNCCXYAMD-LBPRGKRZSA-N 1 0 379.404 1.950 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)nc1F)C[NH+]1CCCC1 ZINC000858909993 655755560 /nfs/dbraw/zinc/75/55/60/655755560.db2.gz KUSLGCOWXPQPIZ-JTQLQIEISA-N 1 0 380.283 1.993 20 0 GDADRO CC[N@H+](CCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C1CC1 ZINC000858933441 655756464 /nfs/dbraw/zinc/75/64/64/655756464.db2.gz SBZIPXADBSMRLQ-UHFFFAOYSA-N 1 0 379.404 1.950 20 0 GDADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)nc1F ZINC000858961579 655757477 /nfs/dbraw/zinc/75/74/77/655757477.db2.gz QMJZZUYAQRVUDE-SNVBAGLBSA-N 1 0 378.267 1.746 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000860193203 655796277 /nfs/dbraw/zinc/79/62/77/655796277.db2.gz DIWBNDKYUBKUBH-GJZGRUSLSA-N 1 0 375.535 1.505 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000861034828 655812692 /nfs/dbraw/zinc/81/26/92/655812692.db2.gz IFXZXYAXKFQRHJ-STQMWFEESA-N 1 0 376.500 1.069 20 0 GDADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(I)cn2)C1 ZINC000861352731 655820229 /nfs/dbraw/zinc/82/02/29/655820229.db2.gz JZOUFDMTZPVEBR-FZMZJTMJSA-N 1 0 390.221 1.952 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(Br)n1 ZINC000861530741 655824879 /nfs/dbraw/zinc/82/48/79/655824879.db2.gz HKVYXUIKISOYFB-IYBDPMFKSA-N 1 0 381.274 1.549 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000861540070 655825314 /nfs/dbraw/zinc/82/53/14/655825314.db2.gz RSOQHZKUUUMOBO-ZETCQYMHSA-N 1 0 393.079 1.956 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc(Br)c1F ZINC000861542200 655825514 /nfs/dbraw/zinc/82/55/14/655825514.db2.gz NHLZTSDBZMJISU-ZETCQYMHSA-N 1 0 390.209 1.119 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c(Br)cc1F ZINC000861542278 655825570 /nfs/dbraw/zinc/82/55/70/655825570.db2.gz NMVHVTODZCOHRQ-ZETCQYMHSA-N 1 0 390.209 1.119 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000861543587 655825722 /nfs/dbraw/zinc/82/57/22/655825722.db2.gz DBIGCIDYYUUCAM-ZETCQYMHSA-N 1 0 395.628 1.689 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000861681773 655828255 /nfs/dbraw/zinc/82/82/55/655828255.db2.gz LZIZKSPRWWBDEN-IUODEOHRSA-N 1 0 384.274 1.520 20 0 GDADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861720364 655829114 /nfs/dbraw/zinc/82/91/14/655829114.db2.gz YIBTUAMOZQXYCZ-VXGBXAGGSA-N 1 0 390.228 1.807 20 0 GDADRO O=C(NCCSCc1ccnc(Cl)c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861729454 655829340 /nfs/dbraw/zinc/82/93/40/655829340.db2.gz XODLINCAOUIGTE-ZDUSSCGKSA-N 1 0 382.917 1.485 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(Br)cnc1F ZINC000861743924 655829750 /nfs/dbraw/zinc/82/97/50/655829750.db2.gz QXBYWSJPYTZUBR-UHFFFAOYSA-N 1 0 375.286 1.939 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCC2SCCS2)CC[C@H]1C(F)(F)F ZINC000861786394 655830626 /nfs/dbraw/zinc/83/06/26/655830626.db2.gz JRQAPQCYDRYSEK-NXEZZACHSA-N 1 0 385.477 1.285 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1Cl ZINC000861907702 655833402 /nfs/dbraw/zinc/83/34/02/655833402.db2.gz DDZGPSSZOTUBIM-JYAVWHMHSA-N 1 0 387.889 1.154 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000862141980 655839370 /nfs/dbraw/zinc/83/93/70/655839370.db2.gz UFPYBLINJQOHDR-KLPPZKSPSA-N 1 0 379.258 1.979 20 0 GDADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862284961 655843978 /nfs/dbraw/zinc/84/39/78/655843978.db2.gz OTRLMPGAOSXOQT-UONOGXRCSA-N 1 0 376.519 1.425 20 0 GDADRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862408422 655845937 /nfs/dbraw/zinc/84/59/37/655845937.db2.gz BWAIBKGQCQPGON-VAXYEAPXSA-N 1 0 388.452 1.911 20 0 GDADRO C[C@H]([NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862413874 655846091 /nfs/dbraw/zinc/84/60/91/655846091.db2.gz FJAJPLQWQIXSLX-XQLPTFJDSA-N 1 0 376.519 1.566 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000862649078 655850749 /nfs/dbraw/zinc/85/07/49/655850749.db2.gz PNILXKCRIJAVMU-ZDUSSCGKSA-N 1 0 375.803 1.924 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000863773980 655880533 /nfs/dbraw/zinc/88/05/33/655880533.db2.gz NFAZQMLBXMMHES-VIFPVBQESA-N 1 0 378.420 1.674 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000864063217 655888605 /nfs/dbraw/zinc/88/86/05/655888605.db2.gz IVEVXMJWJCMUGB-DTWKUNHWSA-N 1 0 376.242 1.781 20 0 GDADRO O=C(Cn1nc(Br)c(Br)n1)N1CC([NH+]2CCCC2)C1 ZINC000864066773 655888942 /nfs/dbraw/zinc/88/89/42/655888942.db2.gz CUYIDMSLWAOGOT-UHFFFAOYSA-N 1 0 393.083 1.110 20 0 GDADRO Cn1nc(I)cc1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000864078631 655889578 /nfs/dbraw/zinc/88/95/78/655889578.db2.gz YUMFEDOZHLAAFC-KBPBESRZSA-N 1 0 388.253 1.439 20 0 GDADRO CN(CCC[NH+](C)C)CCn1cc(COc2ccc(Br)nc2)nn1 ZINC000864646319 655903605 /nfs/dbraw/zinc/90/36/05/655903605.db2.gz ZSXUSMFWGXWIDC-UHFFFAOYSA-N 1 0 397.321 1.898 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(I)nn1C ZINC000864987689 655909607 /nfs/dbraw/zinc/90/96/07/655909607.db2.gz MYMMNEPHMIGOIP-QWRGUYRKSA-N 1 0 390.269 1.875 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(I)nn1C ZINC000864987686 655909636 /nfs/dbraw/zinc/90/96/36/655909636.db2.gz MYMMNEPHMIGOIP-MNOVXSKESA-N 1 0 390.269 1.875 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(I)nn1C ZINC000865167462 655913550 /nfs/dbraw/zinc/91/35/50/655913550.db2.gz GUIVPVMZJFJYDM-UHFFFAOYSA-N 1 0 376.242 1.439 20 0 GDADRO CC[NH+](CC)CCN(C(=S)NCc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 ZINC000865229324 655914938 /nfs/dbraw/zinc/91/49/38/655914938.db2.gz YPHMREJPYWKXDA-HNNXBMFYSA-N 1 0 388.559 1.188 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000865257971 655915491 /nfs/dbraw/zinc/91/54/91/655915491.db2.gz PMTAZLLOXDBHMT-HUUCEWRRSA-N 1 0 390.619 1.431 20 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O=C1COC[C@@]2(C[NH2+][C@@H]3CCc4cc(Br)ccc43)COCCN12 ZINC000866555287 655949343 /nfs/dbraw/zinc/94/93/43/655949343.db2.gz LKOVOAFESZBQNS-NVXWUHKLSA-N 1 0 381.270 1.654 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000866578855 655950335 /nfs/dbraw/zinc/95/03/35/655950335.db2.gz MNQCJDOPFDXCFY-UHFFFAOYSA-N 1 0 380.432 1.963 20 0 GDADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)nc1Br ZINC000866580684 655950425 /nfs/dbraw/zinc/95/04/25/655950425.db2.gz ONMSKJXRDSLKHJ-UHFFFAOYSA-N 1 0 393.351 1.924 20 0 GDADRO Brc1cnc(CNC2CC[NH+](CCN3CCOCC3)CC2)s1 ZINC000866617061 655951760 /nfs/dbraw/zinc/95/17/60/655951760.db2.gz YCZOYIXABMMJEJ-UHFFFAOYSA-N 1 0 389.363 1.792 20 0 GDADRO COC[C@H]([NH2+]Cc1c(I)cnn1C)C1CCOCC1 ZINC000866631015 655952012 /nfs/dbraw/zinc/95/20/12/655952012.db2.gz BPVKEQUACKPQBD-LBPRGKRZSA-N 1 0 379.242 1.556 20 0 GDADRO Cn1cc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866658905 655952742 /nfs/dbraw/zinc/95/27/42/655952742.db2.gz ADCRWIQAYZQQKA-OCCSQVGLSA-N 1 0 384.322 1.263 20 0 GDADRO COc1ccc(Br)cc1CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710153 655955870 /nfs/dbraw/zinc/95/58/70/655955870.db2.gz WKHFBCPXTSJDGC-LZWOXQAQSA-N 1 0 396.285 1.825 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c1Br ZINC000866742257 655958066 /nfs/dbraw/zinc/95/80/66/655958066.db2.gz UGSOUULARQEWST-UHFFFAOYSA-N 1 0 377.308 1.335 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)n1 ZINC000866766595 655960687 /nfs/dbraw/zinc/96/06/87/655960687.db2.gz WEDWOYNOAOAPOJ-VXGBXAGGSA-N 1 0 391.335 1.583 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C(F)(F)F ZINC000866766307 655960690 /nfs/dbraw/zinc/96/06/90/655960690.db2.gz ODYXNLZQUZGTFG-NWDGAFQWSA-N 1 0 380.436 1.839 20 0 GDADRO C[C@H]1CC2(CN1S(=O)(=O)c1cn(C)nc1Br)CC[NH2+]CC2 ZINC000866773147 655961711 /nfs/dbraw/zinc/96/17/11/655961711.db2.gz BLACHKTWZFRKSJ-JTQLQIEISA-N 1 0 377.308 1.335 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1C(F)(F)F ZINC000866775812 655962023 /nfs/dbraw/zinc/96/20/23/655962023.db2.gz PWYNDBKMSHOBBT-GFCCVEGCSA-N 1 0 380.436 1.839 20 0 GDADRO CCN1C(=S)N=NC1[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000866806363 655965915 /nfs/dbraw/zinc/96/59/15/655965915.db2.gz WNUSAHAWHDBEDH-CQSZACIVSA-N 1 0 387.575 1.582 20 0 GDADRO COCCC1(NS(=O)(=O)c2c(C)csc2C(=O)OC)CC[NH2+]CC1 ZINC000866822163 655967142 /nfs/dbraw/zinc/96/71/42/655967142.db2.gz XZECFSNYJSMFNE-UHFFFAOYSA-N 1 0 376.500 1.280 20 0 GDADRO COCCC1(NS(=O)(=O)c2cccnc2OCC(F)F)CC[NH2+]CC1 ZINC000866826402 655967574 /nfs/dbraw/zinc/96/75/74/655967574.db2.gz YBPVRLPUYDUFRZ-UHFFFAOYSA-N 1 0 379.429 1.163 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1Br ZINC000866831059 655968084 /nfs/dbraw/zinc/96/80/84/655968084.db2.gz GFRWKFNUULFLKZ-QWHCGFSZSA-N 1 0 375.288 1.973 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cn(C)nc2Br)[C@H](C)C1 ZINC000866862644 655971499 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1.250 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCn2ncc(Br)c2C1 ZINC000867522219 656076036 /nfs/dbraw/zinc/07/60/36/656076036.db2.gz IJNMWLNBBLJBEM-UHFFFAOYSA-N 1 0 377.308 1.277 20 0 GDADRO CC(C)[NH+]1CCC(CCNS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000867652220 656099383 /nfs/dbraw/zinc/09/93/83/656099383.db2.gz PTKWUAZAIGLLBX-INIZCTEOSA-N 1 0 380.576 1.241 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000867808756 656119726 /nfs/dbraw/zinc/11/97/26/656119726.db2.gz OOOQAZONHYXDGM-YOEHRIQHSA-N 1 0 386.539 1.585 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000867817153 656121374 /nfs/dbraw/zinc/12/13/74/656121374.db2.gz WTVZMRXDWKQCJN-CQSZACIVSA-N 1 0 384.373 1.612 20 0 GDADRO CO[C@H](CS(=O)(=O)N(CC(C)C)CC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000867863798 656127250 /nfs/dbraw/zinc/12/72/50/656127250.db2.gz BMLSQBATKRDGHL-QZTJIDSGSA-N 1 0 376.563 1.668 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCN(c2ncccn2)CC1)c1cccc(Br)c1 ZINC000867953853 656135482 /nfs/dbraw/zinc/13/54/82/656135482.db2.gz GQLCKHGXEBRACY-CQSZACIVSA-N 1 0 376.258 1.588 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)c1cccc(Br)c1 ZINC000867973628 656136411 /nfs/dbraw/zinc/13/64/11/656136411.db2.gz FJSQDTPUKKNJHL-IMJJTQAJSA-N 1 0 380.286 1.837 20 0 GDADRO C[C@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C1CC[NH2+]CC1 ZINC000868013285 656137551 /nfs/dbraw/zinc/13/75/51/656137551.db2.gz QRSJOZNPCYXCMT-LBPRGKRZSA-N 1 0 385.917 1.998 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)NCc2ccc(Br)cn2)CC1 ZINC000868049011 656138399 /nfs/dbraw/zinc/13/83/99/656138399.db2.gz PUJGFHXETUKWSI-UHFFFAOYSA-N 1 0 384.322 1.671 20 0 GDADRO Cn1ncc(I)c1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000868052713 656138606 /nfs/dbraw/zinc/13/86/06/656138606.db2.gz RUTLLTDFCWDFBU-GFCCVEGCSA-N 1 0 384.221 1.731 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)NCc3n[nH]cc3Br)CC2)CC1 ZINC000868289165 656149009 /nfs/dbraw/zinc/14/90/09/656149009.db2.gz LCCPKGYUORWBOK-UHFFFAOYSA-N 1 0 385.310 1.094 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868306961 656150193 /nfs/dbraw/zinc/15/01/93/656150193.db2.gz JNJLGQMVSBLUDC-ZSBIGDGJSA-N 1 0 381.274 1.738 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000868304782 656150221 /nfs/dbraw/zinc/15/02/21/656150221.db2.gz VPUONAIPBBWMQA-XWEPSHTISA-N 1 0 390.665 1.903 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)c2cc(Br)ccc21 ZINC000868305889 656150231 /nfs/dbraw/zinc/15/02/31/656150231.db2.gz KBVJAKZTCOJLHQ-UMSPYCQHSA-N 1 0 380.286 1.927 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](COC)c1cccc(Br)c1 ZINC000868384616 656153131 /nfs/dbraw/zinc/15/31/31/656153131.db2.gz DYXHBJNVWIOQNW-LSDHHAIUSA-N 1 0 398.301 1.463 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](COC)c2cccc(Br)c2)C1 ZINC000868387765 656153499 /nfs/dbraw/zinc/15/34/99/656153499.db2.gz SOKSOTBESFIWSQ-ZIAGYGMSSA-N 1 0 384.274 1.073 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000868400171 656154206 /nfs/dbraw/zinc/15/42/06/656154206.db2.gz GAGJDRUDQIJCMA-JMSVASOKSA-N 1 0 396.285 1.297 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000868400172 656154223 /nfs/dbraw/zinc/15/42/23/656154223.db2.gz GAGJDRUDQIJCMA-LALPHHSUSA-N 1 0 396.285 1.297 20 0 GDADRO Cn1ncc(I)c1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000868751626 656168008 /nfs/dbraw/zinc/16/80/08/656168008.db2.gz MTNCKEFOGBOAJY-AOOOYVTPSA-N 1 0 391.257 1.164 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)NC[C@@H](O)c2ccccc2Br)cn1 ZINC000868812065 656170195 /nfs/dbraw/zinc/17/01/95/656170195.db2.gz UHHQBZQLBYYKAB-OAHLLOKOSA-N 1 0 381.274 1.671 20 0 GDADRO Cn1nc(I)cc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000868848513 656171544 /nfs/dbraw/zinc/17/15/44/656171544.db2.gz BHBXJZYCMHQTCD-SNVBAGLBSA-N 1 0 376.242 1.486 20 0 GDADRO CC(C)n1ncc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1Br ZINC000869299749 656190020 /nfs/dbraw/zinc/19/00/20/656190020.db2.gz WLKNKFYTTMICTI-ZDUSSCGKSA-N 1 0 385.306 1.898 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000869777446 656207179 /nfs/dbraw/zinc/20/71/79/656207179.db2.gz OGDFYXQSXSKWRJ-NSHDSACASA-N 1 0 381.274 1.900 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2csc(I)c2)C1 ZINC000869781339 656207496 /nfs/dbraw/zinc/20/74/96/656207496.db2.gz BTRWNFNDLHSOLC-JTQLQIEISA-N 1 0 394.278 1.928 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2c(Br)cnn2C)cn1 ZINC000870314325 656228638 /nfs/dbraw/zinc/22/86/38/656228638.db2.gz IGXWOJLDWDGJSE-CHWSQXEVSA-N 1 0 395.305 1.268 20 0 GDADRO Cc1nsc(N2CCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2)n1 ZINC000870893640 656253732 /nfs/dbraw/zinc/25/37/32/656253732.db2.gz RKUONYGSFNHUML-CYBMUJFWSA-N 1 0 396.314 1.958 20 0 GDADRO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3c(Br)nnn3C)C2)c1 ZINC000870909187 656254681 /nfs/dbraw/zinc/25/46/81/656254681.db2.gz AXOUAXJZWOZXQO-ZDUSSCGKSA-N 1 0 378.274 1.890 20 0 GDADRO O=C(c1cc(Br)cn2ccnc12)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000870914782 656255057 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ZINC000871813291 656281905 /nfs/dbraw/zinc/28/19/05/656281905.db2.gz HSGXXHMMXVATIX-JOYOIKCWSA-N 1 0 377.392 1.034 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ncccc2Br)C[C@H]1C(F)(F)F ZINC000871813346 656281964 /nfs/dbraw/zinc/28/19/64/656281964.db2.gz QHMCSKPFFMBZFD-HTQZYQBOSA-N 1 0 388.209 1.602 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)s1 ZINC000871814307 656282590 /nfs/dbraw/zinc/28/25/90/656282590.db2.gz SCLZPZLEIGRYTO-IEBDPFPHSA-N 1 0 399.460 1.703 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(F)c1 ZINC000871814987 656283278 /nfs/dbraw/zinc/28/32/78/656283278.db2.gz YDDZQGMWBVHFJU-VHSXEESVSA-N 1 0 384.351 1.370 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c1)C(F)(F)F ZINC000871819438 656283796 /nfs/dbraw/zinc/28/37/96/656283796.db2.gz SQTSXZQXEHRXIC-GXTWGEPZSA-N 1 0 377.388 1.750 20 0 GDADRO [NH3+][C@@H](C[C@H]1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1)C1CCCC1 ZINC000871823713 656284416 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1.963 20 0 GDADRO O=C(c1csc(C(F)(F)F)c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302729 656322482 /nfs/dbraw/zinc/32/24/82/656322482.db2.gz KFEHPPXNSRKWHV-AXFHLTTASA-N 1 0 375.372 1.774 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872474306 656336866 /nfs/dbraw/zinc/33/68/66/656336866.db2.gz CALIJBLLHZEEIQ-GFCCVEGCSA-N 1 0 391.335 1.148 20 0 GDADRO Cc1ccc(Br)c(F)c1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000873060876 656385017 /nfs/dbraw/zinc/38/50/17/656385017.db2.gz LVIFMBUQOWEOBA-UHFFFAOYSA-N 1 0 380.279 1.926 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCc3c2cccc3Cl)C[C@@H]1C(F)(F)F ZINC000873107448 656386818 /nfs/dbraw/zinc/38/68/18/656386818.db2.gz NXYQFECKAVFKJE-ONGXEEELSA-N 1 0 375.778 1.825 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2)[NH+]1CCCC1 ZINC000873663686 656401992 /nfs/dbraw/zinc/40/19/92/656401992.db2.gz MGDAPTJHYWGCBW-NSHDSACASA-N 1 0 396.285 1.923 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)sc1Br ZINC000921747289 656405109 /nfs/dbraw/zinc/40/51/09/656405109.db2.gz MSAOCDUPIHKCSX-ZDUSSCGKSA-N 1 0 389.363 1.710 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000873716930 656406240 /nfs/dbraw/zinc/40/62/40/656406240.db2.gz SCZNVRXENYTEKQ-CYBMUJFWSA-N 1 0 384.274 1.853 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000873736728 656409480 /nfs/dbraw/zinc/40/94/80/656409480.db2.gz IAMKVJMKBKKQDL-NSHDSACASA-N 1 0 384.274 1.997 20 0 GDADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Cl)c2nonc21 ZINC000921910922 656426435 /nfs/dbraw/zinc/42/64/35/656426435.db2.gz MVLLZVKCOCBBSM-NSHDSACASA-N 1 0 386.861 1.408 20 0 GDADRO CCc1ccc(Br)c(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000873957698 656433923 /nfs/dbraw/zinc/43/39/23/656433923.db2.gz YACJLYYSYBCRJA-GFCCVEGCSA-N 1 0 384.274 1.133 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2csc(-c3ccn(C)n3)n2)CC1 ZINC000921995732 656438275 /nfs/dbraw/zinc/43/82/75/656438275.db2.gz QMRAJTAFGJKINU-UHFFFAOYSA-N 1 0 383.543 1.695 20 0 GDADRO C[N@H+](CC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)CC(C)(C)C ZINC000874460879 656471822 /nfs/dbraw/zinc/47/18/22/656471822.db2.gz ODLYYEQXMCHRJS-UHFFFAOYSA-N 1 0 387.468 1.642 20 0 GDADRO CCn1ncc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1Br ZINC000874466806 656473148 /nfs/dbraw/zinc/47/31/48/656473148.db2.gz VJOKYLPDHDQDGP-CQSZACIVSA-N 1 0 386.338 1.667 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)C2(Br)CC2)CC1 ZINC000874468023 656473220 /nfs/dbraw/zinc/47/32/20/656473220.db2.gz QNEKBNKJGPKZSL-UHFFFAOYSA-N 1 0 386.334 1.755 20 0 GDADRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000922403224 656475085 /nfs/dbraw/zinc/47/50/85/656475085.db2.gz ZYEJYTPPRVNSRR-UKRRQHHQSA-N 1 0 384.889 1.824 20 0 GDADRO O=C(NCCn1cc(Br)cn1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922457806 656479878 /nfs/dbraw/zinc/47/98/78/656479878.db2.gz KGUXZZDEERZRDR-CHWSQXEVSA-N 1 0 388.335 1.525 20 0 GDADRO CCO[C@H](CNC(=O)NCCCn1cc(Br)cn1)C[NH+](C)C ZINC000922496438 656484898 /nfs/dbraw/zinc/48/48/98/656484898.db2.gz HNBBPZFFVJPMKY-CYBMUJFWSA-N 1 0 376.299 1.302 20 0 GDADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000874849946 656491453 /nfs/dbraw/zinc/49/14/53/656491453.db2.gz MFAUYNYNXGZXIN-LSDHHAIUSA-N 1 0 380.286 1.874 20 0 GDADRO CO[C@]1(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CCS(=O)(=O)C1 ZINC000922615252 656495920 /nfs/dbraw/zinc/49/59/20/656495920.db2.gz MHUAUJDWYQQZIM-KRWDZBQOSA-N 1 0 383.901 1.878 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCc2ncc(Br)s2)CC1 ZINC000874990560 656498878 /nfs/dbraw/zinc/49/88/78/656498878.db2.gz NIJQZMFTWROENL-UHFFFAOYSA-N 1 0 389.319 1.511 20 0 GDADRO O=C(NCc1ncc(Cl)s1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000875040267 656503593 /nfs/dbraw/zinc/50/35/93/656503593.db2.gz JHXGOGMFNIVFFB-LBPRGKRZSA-N 1 0 386.905 1.172 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000875084366 656507111 /nfs/dbraw/zinc/50/71/11/656507111.db2.gz XYJLTCXIDRPVDR-OCCSQVGLSA-N 1 0 381.274 1.203 20 0 GDADRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000922825966 656510480 /nfs/dbraw/zinc/51/04/80/656510480.db2.gz SYUPBYVNDSTJME-JTQLQIEISA-N 1 0 379.251 1.565 20 0 GDADRO Cn1cc(CNC[C@H]2CC[N@@H+]2C2CCOCC2)c(I)n1 ZINC000922953422 656518589 /nfs/dbraw/zinc/51/85/89/656518589.db2.gz BDBYYTHJESLPQN-CYBMUJFWSA-N 1 0 390.269 1.368 20 0 GDADRO Cn1cc(C[NH2+][C@H]2C[C@H](O)C23CCOCC3)c(I)n1 ZINC000923019393 656522489 /nfs/dbraw/zinc/52/24/89/656522489.db2.gz NSKADVUFSCKGGC-QWRGUYRKSA-N 1 0 377.226 1.044 20 0 GDADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000923279292 656542015 /nfs/dbraw/zinc/54/20/15/656542015.db2.gz KBTAXZCSAIKVNX-QWHCGFSZSA-N 1 0 391.273 1.734 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000923353687 656546960 /nfs/dbraw/zinc/54/69/60/656546960.db2.gz LETRJJBBFNRBGY-SMDDNHRTSA-N 1 0 377.268 1.570 20 0 GDADRO O[C@H](COc1cc(F)cc(Br)c1)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000923380556 656547864 /nfs/dbraw/zinc/54/78/64/656547864.db2.gz OXALMUAVICTBOW-AEGPPILISA-N 1 0 375.238 1.001 20 0 GDADRO Cn1cc([C@@H]2CN(C[C@@H](O)COc3c(Cl)cccc3Cl)C[C@H]2[NH3+])cn1 ZINC000923384233 656547928 /nfs/dbraw/zinc/54/79/28/656547928.db2.gz URKZOUHNRONDNU-DVOMOZLQSA-N 1 0 385.295 1.893 20 0 GDADRO O=C(NC[C@H](n1cccn1)C(F)(F)F)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000923387856 656548242 /nfs/dbraw/zinc/54/82/42/656548242.db2.gz GIZMAHOQDURFEO-AVGNSLFASA-N 1 0 377.436 1.866 20 0 GDADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452694 656553661 /nfs/dbraw/zinc/55/36/61/656553661.db2.gz SXWYTZXXQXUGSV-CABCVRRESA-N 1 0 382.302 1.805 20 0 GDADRO CON(C)C(=O)CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000875677510 656553854 /nfs/dbraw/zinc/55/38/54/656553854.db2.gz YRINJPDQSIKNGE-ZDUSSCGKSA-N 1 0 377.272 1.915 20 0 GDADRO O=C(NCCSCCC(F)(F)F)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000875755988 656559029 /nfs/dbraw/zinc/55/90/29/656559029.db2.gz FNIKCQSMQIMZII-ZDUSSCGKSA-N 1 0 381.464 1.921 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Br)cn1)C[NH+]1CCCCC1 ZINC000875769360 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GDADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000926125738 656737066 /nfs/dbraw/zinc/73/70/66/656737066.db2.gz LXEGSOXRSUEDMO-MRXNPFEDSA-N 1 0 394.273 1.952 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(N)nc(Br)c1)C2 ZINC000926143462 656738346 /nfs/dbraw/zinc/73/83/46/656738346.db2.gz ROUGFRRIKVVXGV-GADXADSLSA-N 1 0 397.317 1.636 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1c(Cl)nn(C)c1Cl)C2 ZINC000926139167 656738453 /nfs/dbraw/zinc/73/84/53/656738453.db2.gz XHFZYZOUKLUPTH-NKTGWMFESA-N 1 0 375.300 1.936 20 0 GDADRO COC(=O)c1cnc([C@H]2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C2)s1 ZINC000926171257 656739618 /nfs/dbraw/zinc/73/96/18/656739618.db2.gz UMZPHWSMVRZSMJ-WCBMZHEXSA-N 1 0 380.392 1.708 20 0 GDADRO Cc1c(C)c(NC(=O)N(C)C[C@@H](O)C[NH3+])ccc1I ZINC000926202957 656740867 /nfs/dbraw/zinc/74/08/67/656740867.db2.gz OFRPHUVSDZIATR-JTQLQIEISA-N 1 0 377.226 1.691 20 0 GDADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc(I)c(Cl)c1 ZINC000926219078 656741314 /nfs/dbraw/zinc/74/13/14/656741314.db2.gz LZSZKWBKKJWULA-MRVPVSSYSA-N 1 0 383.617 1.728 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cn(C)nc3Br)C2)[C@H]1C(C)C ZINC000926268709 656742926 /nfs/dbraw/zinc/74/29/26/656742926.db2.gz JNBNPFUUCCMYGA-WBOJAVRRSA-N 1 0 399.333 1.782 20 0 GDADRO COc1cc(Br)cc(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000926291019 656744991 /nfs/dbraw/zinc/74/49/91/656744991.db2.gz CDIMJBITRJWPHK-UONOGXRCSA-N 1 0 384.274 1.418 20 0 GDADRO Cn1ncc(Br)c1CC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000878738371 656745713 /nfs/dbraw/zinc/74/57/13/656745713.db2.gz MZHKTLMWCKSWAE-UHFFFAOYSA-N 1 0 385.306 1.486 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cs1)C(N)=O ZINC000878780043 656747820 /nfs/dbraw/zinc/74/78/20/656747820.db2.gz OFPQKEDARILIEG-TZMCWYRMSA-N 1 0 382.555 1.642 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC[C@H]1C[NH3+] ZINC000926353011 656749026 /nfs/dbraw/zinc/74/90/26/656749026.db2.gz HVLGFAPGWOHBCM-ZJUUUORDSA-N 1 0 378.420 1.564 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cs1)C(N)=O ZINC000878985516 656764913 /nfs/dbraw/zinc/76/49/13/656764913.db2.gz GSZLFMXVCXWEJT-OCCSQVGLSA-N 1 0 384.571 1.984 20 0 GDADRO Cc1ccc(NC(=O)NCC[N@@H+](C)CCOCCO)c(Br)n1 ZINC000878979766 656765110 /nfs/dbraw/zinc/76/51/10/656765110.db2.gz URUOFUBCXGSRAA-UHFFFAOYSA-N 1 0 375.267 1.215 20 0 GDADRO NC(=O)[C@H](F)C1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000879048872 656770167 /nfs/dbraw/zinc/77/01/67/656770167.db2.gz CSEAEJGLJBZINC-UKRRQHHQSA-N 1 0 389.265 1.724 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cs1)C(N)=O ZINC000879168961 656779012 /nfs/dbraw/zinc/77/90/12/656779012.db2.gz NYCACVBABXOPBB-KBPBESRZSA-N 1 0 382.555 1.737 20 0 GDADRO CCO[C@@H](CNC(=O)N[C@H](CO)c1cccc(Br)c1)C[NH+](C)C ZINC000926839594 656781001 /nfs/dbraw/zinc/78/10/01/656781001.db2.gz LBKWFOBFUVJBET-LSDHHAIUSA-N 1 0 388.306 1.748 20 0 GDADRO COC(CC[NH+]1CCN(c2ncc(I)cn2)CC1)OC ZINC000879205108 656782636 /nfs/dbraw/zinc/78/26/36/656782636.db2.gz WNNSHMIACPOPDX-UHFFFAOYSA-N 1 0 392.241 1.212 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)NCC[N@@H+](C)CCOCCO ZINC000879234122 656783866 /nfs/dbraw/zinc/78/38/66/656783866.db2.gz IOWVXTOTAIXDOB-UHFFFAOYSA-N 1 0 392.269 1.959 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000879249333 656784148 /nfs/dbraw/zinc/78/41/48/656784148.db2.gz NIBSMXBZMUPHJC-ZLDLUXBVSA-N 1 0 385.306 1.435 20 0 GDADRO CC[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000927028688 656787793 /nfs/dbraw/zinc/78/77/93/656787793.db2.gz YAVOGKUQOSVIDU-SOUVJXGZSA-N 1 0 378.535 1.550 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@]1(C)CC1(Br)Br ZINC000879543919 656804524 /nfs/dbraw/zinc/80/45/24/656804524.db2.gz UIETXIODBXPQML-QWRGUYRKSA-N 1 0 386.128 1.701 20 0 GDADRO Cn1nc(Br)cc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000879643650 656815135 /nfs/dbraw/zinc/81/51/35/656815135.db2.gz UCJDONZXBNFXCA-LLVKDONJSA-N 1 0 386.294 1.805 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cn(C)nc2Br)cn1 ZINC000927618661 656816364 /nfs/dbraw/zinc/81/63/64/656816364.db2.gz XOMCNXNTZMMOLQ-UONOGXRCSA-N 1 0 395.305 1.268 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879753302 656826775 /nfs/dbraw/zinc/82/67/75/656826775.db2.gz BOBQFSGFQLHIKA-CABCVRRESA-N 1 0 375.535 1.742 20 0 GDADRO CN(C)c1cc[nH+]c(CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 ZINC000927705121 656826697 /nfs/dbraw/zinc/82/66/97/656826697.db2.gz AQAAZYUWEUJLLK-UHFFFAOYSA-N 1 0 382.511 1.231 20 0 GDADRO CN(C)c1cc[nH+]c(CNC(=O)CNC(=O)c2ccc(Br)o2)c1 ZINC000927711556 656827037 /nfs/dbraw/zinc/82/70/37/656827037.db2.gz SXKBACXPUPOZRE-UHFFFAOYSA-N 1 0 381.230 1.549 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 ZINC000879847607 656834684 /nfs/dbraw/zinc/83/46/84/656834684.db2.gz DBCSCUQGPHFWAZ-UKRRQHHQSA-N 1 0 385.555 1.530 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(I)c(Cl)c1 ZINC000927806938 656840175 /nfs/dbraw/zinc/84/01/75/656840175.db2.gz BHPAVGSRROXVSQ-SSDOTTSWSA-N 1 0 395.628 1.689 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000927808947 656840630 /nfs/dbraw/zinc/84/06/30/656840630.db2.gz HDJPSAKUULINEO-NOZJJQNGSA-N 1 0 390.267 1.681 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)c(C)cc1Br ZINC000927810485 656840685 /nfs/dbraw/zinc/84/06/85/656840685.db2.gz OESVBEINUZFMIG-NOZJJQNGSA-N 1 0 398.257 1.207 20 0 GDADRO O=C(Nc1cccc(Br)c1)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000927822916 656842207 /nfs/dbraw/zinc/84/22/07/656842207.db2.gz ZROPMNZNDQVCCP-CQSZACIVSA-N 1 0 396.285 1.663 20 0 GDADRO [NH3+]C1CCN(CCNC(=O)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000927839888 656842661 /nfs/dbraw/zinc/84/26/61/656842661.db2.gz YVXJYHSCHHCITD-UHFFFAOYSA-N 1 0 387.253 1.066 20 0 GDADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC[C@H]1C(F)(F)F ZINC000927846929 656844528 /nfs/dbraw/zinc/84/45/28/656844528.db2.gz SARMOWKKCRMGCC-SFYZADRCSA-N 1 0 394.444 1.609 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)cc1Br ZINC000927881225 656849025 /nfs/dbraw/zinc/84/90/25/656849025.db2.gz DQNWHHLSSZGCFG-MRXNPFEDSA-N 1 0 384.274 1.317 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)c(F)cc1Br ZINC000927881111 656849253 /nfs/dbraw/zinc/84/92/53/656849253.db2.gz AZNXYPLPYXCTQH-OAHLLOKOSA-N 1 0 388.237 1.147 20 0 GDADRO [NH3+][C@]1(CO)CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000927881533 656849596 /nfs/dbraw/zinc/84/95/96/656849596.db2.gz HCJMFDVJAQVEHA-CQSZACIVSA-N 1 0 379.766 1.610 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000927884126 656850280 /nfs/dbraw/zinc/85/02/80/656850280.db2.gz DLVVNCRUJWUKKO-JTQLQIEISA-N 1 0 387.221 1.427 20 0 GDADRO CN(CCS(N)(=O)=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000879988587 656850934 /nfs/dbraw/zinc/85/09/34/656850934.db2.gz FDAJNNMHHZOTKF-UHFFFAOYSA-N 1 0 386.543 1.627 20 0 GDADRO C[C@]1(C(=O)N[C@H](CO)C[NH+]2CCCC2)CC1(Br)Br ZINC000879990138 656851692 /nfs/dbraw/zinc/85/16/92/656851692.db2.gz OHGFMBRHORLFDT-GXSJLCMTSA-N 1 0 384.112 1.455 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000927926822 656854723 /nfs/dbraw/zinc/85/47/23/656854723.db2.gz GZCQFEKIXBDGFN-MRXNPFEDSA-N 1 0 381.274 1.836 20 0 GDADRO Cn1cc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c(Br)n1 ZINC000880057037 656860404 /nfs/dbraw/zinc/86/04/04/656860404.db2.gz TZMJMQZRILGAEJ-UHFFFAOYSA-N 1 0 387.326 1.720 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@H]1CSC(c2ccccc2O)=N1 ZINC000928077443 656867155 /nfs/dbraw/zinc/86/71/55/656867155.db2.gz BWIVLFGKKDCERG-KFWWJZLASA-N 1 0 377.535 1.950 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc(I)c[nH]1 ZINC000928091605 656870039 /nfs/dbraw/zinc/87/00/39/656870039.db2.gz FPNIYECXZYSHQR-CMPLNLGQSA-N 1 0 391.278 1.929 20 0 GDADRO CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000928100996 656873968 /nfs/dbraw/zinc/87/39/68/656873968.db2.gz VQRUVWWFJBOHCY-SJORKVTESA-N 1 0 382.551 1.719 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cccn(CC(F)(F)F)c1=O ZINC000928102875 656874676 /nfs/dbraw/zinc/87/46/76/656874676.db2.gz OMOHAPIPSYABMP-CHWSQXEVSA-N 1 0 375.416 1.720 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cn2nc(Br)c(Br)n2)CC[N@@H+]1C ZINC000928425395 656901444 /nfs/dbraw/zinc/90/14/44/656901444.db2.gz IIDRLCAXFSWQDU-RNFRBKRXSA-N 1 0 381.072 1.012 20 0 GDADRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)nc1I ZINC000928440347 656901814 /nfs/dbraw/zinc/90/18/14/656901814.db2.gz LVTBTBNMSGYMQY-DTWKUNHWSA-N 1 0 375.210 1.517 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)CC[N@@H+]1C ZINC000928449605 656902325 /nfs/dbraw/zinc/90/23/25/656902325.db2.gz RDPCHZXXKOATJS-ZIAGYGMSSA-N 1 0 385.555 1.991 20 0 GDADRO Cc1ncc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c(C)c1Br ZINC000928743089 656923877 /nfs/dbraw/zinc/92/38/77/656923877.db2.gz WPRAAGHZEFKFAG-GFCCVEGCSA-N 1 0 383.290 1.810 20 0 GDADRO Cn1nc(C(F)(F)F)c(Cn2cc(CCN3CC[NH2+]CC3)nn2)c1Cl ZINC000881348900 656929663 /nfs/dbraw/zinc/92/96/63/656929663.db2.gz QJEAZNDZXMEVFH-UHFFFAOYSA-N 1 0 377.802 1.180 20 0 GDADRO Cn1nc(C(F)(F)F)c(Cn2cc(CN3CC[NH+](C)CC3)nn2)c1Cl ZINC000881349041 656929675 /nfs/dbraw/zinc/92/96/75/656929675.db2.gz RWCJDSHQNFPDCD-UHFFFAOYSA-N 1 0 377.802 1.480 20 0 GDADRO [NH3+]Cc1ccc(OCc2cn(CCn3cnc(Br)n3)nn2)cc1 ZINC000881377877 656932058 /nfs/dbraw/zinc/93/20/58/656932058.db2.gz WOWPSODESPCGEX-UHFFFAOYSA-N 1 0 378.234 1.370 20 0 GDADRO COCC[C@@H]([NH3+])Cc1cn(C[C@H](O)c2ccc(F)c(Br)c2)nn1 ZINC000881418429 656934839 /nfs/dbraw/zinc/93/48/39/656934839.db2.gz UQPWONFLIFRFAG-ABAIWWIYSA-N 1 0 387.253 1.820 20 0 GDADRO C[C@H]1CN(C(=O)Cn2ccc(Br)cc2=O)CCN1c1cc[nH+]cc1 ZINC000881631167 656942731 /nfs/dbraw/zinc/94/27/31/656942731.db2.gz ZVLINOAYOBCSNM-ZDUSSCGKSA-N 1 0 391.269 1.743 20 0 GDADRO CC1(C)CC(NC(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)CC(C)(C)[NH2+]1 ZINC000929105144 656948286 /nfs/dbraw/zinc/94/82/86/656948286.db2.gz DLDGGTUHPQSEFK-NSHDSACASA-N 1 0 381.464 1.918 20 0 GDADRO CCO[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)C[NH+](C)C ZINC000929122037 656948684 /nfs/dbraw/zinc/94/86/84/656948684.db2.gz QKXMXLFNDKANLY-ZDUSSCGKSA-N 1 0 376.284 1.693 20 0 GDADRO CN(C)[S@](C)(=O)=NS(=O)(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000881786655 656958358 /nfs/dbraw/zinc/95/83/58/656958358.db2.gz YTKDZIZZFXITPK-XMMPIXPASA-N 1 0 388.559 1.102 20 0 GDADRO C[N@H+](CC1CN(S(C)(=O)=O)C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000929331889 656960671 /nfs/dbraw/zinc/96/06/71/656960671.db2.gz YAVLCEDBHQOSDH-LSDHHAIUSA-N 1 0 379.309 1.775 20 0 GDADRO C[N@H+](C[C@H](O)C1(O)CCOCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000929331756 656960818 /nfs/dbraw/zinc/96/08/18/656960818.db2.gz WAOBTSXBPMLGQO-OWCLPIDISA-N 1 0 376.280 1.786 20 0 GDADRO CCO[C@H](CNC(=O)C(=O)NCc1cccc(Cl)c1Cl)C[NH+](C)C ZINC000929337559 656961315 /nfs/dbraw/zinc/96/13/15/656961315.db2.gz HEZUQSFKCBEVRW-GFCCVEGCSA-N 1 0 376.284 1.693 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](CC2CN(S(C)(=O)=O)C2)C1)C(=O)OC(C)(C)C ZINC000929430473 656966460 /nfs/dbraw/zinc/96/64/60/656966460.db2.gz YGSAUIZLNNXOIK-AWEZNQCLSA-N 1 0 375.535 1.457 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc2nc(Cl)ccc2s1 ZINC000881867772 656976685 /nfs/dbraw/zinc/97/66/85/656976685.db2.gz VKUNRTCFQUOODH-NSHDSACASA-N 1 0 388.946 1.864 20 0 GDADRO C[C@H]1CCC[N@H+](CC2CN(S(C)(=O)=O)C2)[C@H]1CNC(=O)OC(C)(C)C ZINC000929778918 656984094 /nfs/dbraw/zinc/98/40/94/656984094.db2.gz KPKCHVQLHGORLB-ZFWWWQNUSA-N 1 0 375.535 1.503 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929789388 656984394 /nfs/dbraw/zinc/98/43/94/656984394.db2.gz DRKHFZWIFLFNCV-JKSUJKDBSA-N 1 0 375.579 1.262 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc2nnc(Br)n2n1 ZINC000881901378 656986646 /nfs/dbraw/zinc/98/66/46/656986646.db2.gz CHOIYFCYWMNBCL-LLVKDONJSA-N 1 0 396.293 1.241 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000930110826 657000817 /nfs/dbraw/zinc/00/08/17/657000817.db2.gz PNJXHCKBQCPCCW-ZDUSSCGKSA-N 1 0 381.464 1.731 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881966601 657007153 /nfs/dbraw/zinc/00/71/53/657007153.db2.gz GVFWTBOOOKUZLD-ROYPQONJSA-N 1 0 388.559 1.306 20 0 GDADRO CC[C@@H]([NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CCOCC1 ZINC000930240511 657009255 /nfs/dbraw/zinc/00/92/55/657009255.db2.gz VXECUUCPHVSIOX-HZPDHXFCSA-N 1 0 376.563 1.783 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1)S(C)(=O)=O ZINC000930443926 657026397 /nfs/dbraw/zinc/02/63/97/657026397.db2.gz UVXHPGCPJMQTPV-WDEREUQCSA-N 1 0 382.395 1.538 20 0 GDADRO CC(C)[C@@H]1C[N@H+](C)CCN1C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000930574219 657035723 /nfs/dbraw/zinc/03/57/23/657035723.db2.gz DRYGUAKQUQWYJZ-JKSUJKDBSA-N 1 0 375.579 1.260 20 0 GDADRO CN(C)[S@](C)(=O)=NS(=O)(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000882086782 657039734 /nfs/dbraw/zinc/03/97/34/657039734.db2.gz YDVSSECHFYXWQI-UPCLLVRISA-N 1 0 388.559 1.306 20 0 GDADRO 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[NH3+]CCCNC(=O)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000884673862 657370137 /nfs/dbraw/zinc/37/01/37/657370137.db2.gz HTOVWAQAJUYDCF-UHFFFAOYSA-N 1 0 382.180 1.549 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC000934667760 657371112 /nfs/dbraw/zinc/37/11/12/657371112.db2.gz DWKYCEPFCRUYIO-PBHICJAKSA-N 1 0 375.535 1.695 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCc1sccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000884684069 657371300 /nfs/dbraw/zinc/37/13/00/657371300.db2.gz WMTDDLMCPFZWOD-GHMZBOCLSA-N 1 0 388.331 1.674 20 0 GDADRO [NH3+]CCc1ccc(CNC(=O)C(=O)NCc2ncc(Br)s2)cc1 ZINC000884685581 657371333 /nfs/dbraw/zinc/37/13/33/657371333.db2.gz LNMHASPTOXBSTJ-UHFFFAOYSA-N 1 0 397.298 1.339 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000884688046 657372212 /nfs/dbraw/zinc/37/22/12/657372212.db2.gz QXSMEDAGIHAIJE-AWEZNQCLSA-N 1 0 380.286 1.465 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000884691631 657373241 /nfs/dbraw/zinc/37/32/41/657373241.db2.gz 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20 0 GDADRO COc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)nc1Br ZINC000885879533 657583282 /nfs/dbraw/zinc/58/32/82/657583282.db2.gz JAMHFEIACWAYNT-GFCCVEGCSA-N 1 0 384.274 1.836 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(C)s1 ZINC000886039997 657590666 /nfs/dbraw/zinc/59/06/66/657590666.db2.gz RMZYDKDOECXEBE-OAHLLOKOSA-N 1 0 388.555 1.961 20 0 GDADRO COc1cc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc(I)c1OC ZINC000886243473 657628773 /nfs/dbraw/zinc/62/87/73/657628773.db2.gz ZYPQUMHXWXGOBN-WLLOZRIZSA-N 1 0 393.221 1.282 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nc(Cl)cs2)C1 ZINC001000479874 657672339 /nfs/dbraw/zinc/67/23/39/657672339.db2.gz ZZIIYLAYDNSTCN-NDBYEHHHSA-N 1 0 382.917 2.000 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2(S(=O)(=O)N(C)C)CC2)C1 ZINC000886734798 657685111 /nfs/dbraw/zinc/68/51/11/657685111.db2.gz PVUKLVYAJBQONJ-OLZOCXBDSA-N 1 0 382.473 1.757 20 0 GDADRO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncc(Cl)s2)CC[N@@H+]1C ZINC001003150848 657698738 /nfs/dbraw/zinc/69/87/38/657698738.db2.gz VRJCLTDFMBCMFG-VEGXAWMVSA-N 1 0 382.917 1.998 20 0 GDADRO Cc1cc(Br)ccc1CS(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000886889351 657719024 /nfs/dbraw/zinc/71/90/24/657719024.db2.gz RIDFINKZOBCEQO-UHFFFAOYSA-N 1 0 377.304 1.685 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CC)[C@H]2CC[NH2+]C2)cc1F ZINC000886892222 657721025 /nfs/dbraw/zinc/72/10/25/657721025.db2.gz VCIJJAUHKPKACN-LBPRGKRZSA-N 1 0 393.506 1.350 20 0 GDADRO [NH3+]CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000886894537 657721716 /nfs/dbraw/zinc/72/17/16/657721716.db2.gz VDOCMHYTRMEQAG-UHFFFAOYSA-N 1 0 378.832 1.951 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000886896368 657722620 /nfs/dbraw/zinc/72/26/20/657722620.db2.gz HNTUYVOJILJVNH-JTQLQIEISA-N 1 0 378.397 1.005 20 0 GDADRO CCOC(=O)c1ccc(C)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000886898190 657724676 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Cc1[nH]nc(I)c1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000897940104 658902079 /nfs/dbraw/zinc/90/20/79/658902079.db2.gz ZMUKWVCCHSWYRC-JTQLQIEISA-N 1 0 376.242 1.877 20 0 GDADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897972383 658906388 /nfs/dbraw/zinc/90/63/88/658906388.db2.gz QJYZNQJJJUGQEU-HOTGVXAUSA-N 1 0 383.286 1.662 20 0 GDADRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977109 658906792 /nfs/dbraw/zinc/90/67/92/658906792.db2.gz GGXSSMSTZIJDRJ-MFKMUULPSA-N 1 0 383.290 1.944 20 0 GDADRO Cn1nnnc1CCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000898039170 658911914 /nfs/dbraw/zinc/91/19/14/658911914.db2.gz WENCIEVUMULKMR-UHFFFAOYSA-N 1 0 393.179 1.815 20 0 GDADRO CC1(C)CCN(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000898034828 658912096 /nfs/dbraw/zinc/91/20/96/658912096.db2.gz YINQKWHUDHKRPW-UHFFFAOYSA-N 1 0 390.347 1.918 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Br)c2nccnc2c1 ZINC000898068968 658913650 /nfs/dbraw/zinc/91/36/50/658913650.db2.gz TYDSYFNXHKDGHN-INIZCTEOSA-N 1 0 381.274 1.825 20 0 GDADRO CN(c1cccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1)S(C)(=O)=O ZINC000898282323 658922629 /nfs/dbraw/zinc/92/26/29/658922629.db2.gz ARALAFUNEJKFGZ-UHFFFAOYSA-N 1 0 388.555 1.775 20 0 GDADRO CCOc1cc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)cc(Br)c1O ZINC000898330287 658927203 /nfs/dbraw/zinc/92/72/03/658927203.db2.gz SFIQMDYREQRPBU-UHFFFAOYSA-N 1 0 398.257 1.996 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1Br ZINC000898376932 658929414 /nfs/dbraw/zinc/92/94/14/658929414.db2.gz PVQWVBFHMNPVHX-AAEUAGOBSA-N 1 0 375.288 1.611 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2c[nH]nc2Br)CC1=O ZINC000898473480 658936881 /nfs/dbraw/zinc/93/68/81/658936881.db2.gz ICWUJUPWZLRFQP-MNOVXSKESA-N 1 0 384.278 1.444 20 0 GDADRO COCC[N@@H+]1CC[C@H](N[C@H](CO)c2ccccc2I)C1 ZINC000898511494 658938427 /nfs/dbraw/zinc/93/84/27/658938427.db2.gz CJBMVMCEVIPPFH-SWLSCSKDSA-N 1 0 390.265 1.635 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1cscc1Cl ZINC000898586538 658940866 /nfs/dbraw/zinc/94/08/66/658940866.db2.gz LORJPXOLOHOQST-LBPRGKRZSA-N 1 0 385.917 1.729 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)s1 ZINC000898719153 658951482 /nfs/dbraw/zinc/95/14/82/658951482.db2.gz CEPBSKWMRUTZAD-QMMMGPOBSA-N 1 0 391.316 1.459 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c[nH]nc1I ZINC000899020104 658974997 /nfs/dbraw/zinc/97/49/97/658974997.db2.gz STWAQTUYNXUBSR-NSHDSACASA-N 1 0 388.253 1.866 20 0 GDADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[N@H+](C)CCO ZINC000899728747 659054918 /nfs/dbraw/zinc/05/49/18/659054918.db2.gz WLUFNDOCTIWENP-UHFFFAOYSA-N 1 0 387.274 1.461 20 0 GDADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCC[N@H+](C)CCO ZINC000899729287 659055981 /nfs/dbraw/zinc/05/59/81/659055981.db2.gz CFRVWYFTOOJZPQ-JTQLQIEISA-N 1 0 379.682 1.910 20 0 GDADRO C[N@H+](CCO)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000899731555 659056075 /nfs/dbraw/zinc/05/60/75/659056075.db2.gz AJQNPUHCIFQPCF-HNNXBMFYSA-N 1 0 388.295 1.638 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000900187395 659089997 /nfs/dbraw/zinc/08/99/97/659089997.db2.gz HHOBUKSFMIJFPN-QGZVFWFLSA-N 1 0 397.317 1.340 20 0 GDADRO COC(=O)[C@@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000900430125 659106634 /nfs/dbraw/zinc/10/66/34/659106634.db2.gz PKFDPJIBHVSHFW-DOTOQJQBSA-N 1 0 399.285 1.626 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000900587089 659124196 /nfs/dbraw/zinc/12/41/96/659124196.db2.gz KEXPECAWTKZQOD-UHFFFAOYSA-N 1 0 377.272 1.155 20 0 GDADRO C[NH+]1CCC(NCc2cn(Cc3ccc(Br)nc3N)nn2)CC1 ZINC000900583112 659124256 /nfs/dbraw/zinc/12/42/56/659124256.db2.gz ZXUJWXPZNYSXPR-UHFFFAOYSA-N 1 0 380.294 1.250 20 0 GDADRO CCn1c(Br)ncc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000900693998 659137361 /nfs/dbraw/zinc/13/73/61/659137361.db2.gz FCBFVNDQYIBXFU-UHFFFAOYSA-N 1 0 386.338 1.669 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H](O)c3cccc(Br)c3)CC2)C1 ZINC000900725608 659141423 /nfs/dbraw/zinc/14/14/23/659141423.db2.gz MMRDIPFVRSKSAS-DLBZAZTESA-N 1 0 396.329 1.721 20 0 GDADRO C[C@@H](NC(=O)c1csc(I)n1)[C@H]1C[N@H+](C)CCN1C ZINC000900801202 659146904 /nfs/dbraw/zinc/14/69/04/659146904.db2.gz CCFZVSIBRQHQIO-PSASIEDQSA-N 1 0 394.282 1.112 20 0 GDADRO C[C@H](NC(=O)c1nc(Br)sc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000900804797 659147786 /nfs/dbraw/zinc/14/77/86/659147786.db2.gz NBDHGSIHGBJRMP-YUMQZZPRSA-N 1 0 381.727 1.923 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000900858061 659153811 /nfs/dbraw/zinc/15/38/11/659153811.db2.gz MMIBCJIQYXESKK-AWEZNQCLSA-N 1 0 385.555 1.759 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1c(C)[nH]nc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000901211765 659202579 /nfs/dbraw/zinc/20/25/79/659202579.db2.gz HIZSVUDVTPRNLO-GFCCVEGCSA-N 1 0 376.910 1.343 20 0 GDADRO CC[NH+]1CCC(NC(=O)CON=C(N)c2ccccc2Br)CC1 ZINC000902619988 659267879 /nfs/dbraw/zinc/26/78/79/659267879.db2.gz GOAZFQAEHYGVCO-UHFFFAOYSA-N 1 0 383.290 1.896 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903187233 659299533 /nfs/dbraw/zinc/29/95/33/659299533.db2.gz YWCDVDQSOOOAGW-CMPLNLGQSA-N 1 0 378.376 1.283 20 0 GDADRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903230124 659308386 /nfs/dbraw/zinc/30/83/86/659308386.db2.gz VWMPZRMDVSTWFY-AWEZNQCLSA-N 1 0 392.543 1.672 20 0 GDADRO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC2)C1 ZINC000903230098 659308467 /nfs/dbraw/zinc/30/84/67/659308467.db2.gz VIFRFDOXJOQZNB-ZBFHGGJFSA-N 1 0 379.592 1.677 20 0 GDADRO CO[C@]1(C[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CCSC1 ZINC000903313930 659313111 /nfs/dbraw/zinc/31/31/11/659313111.db2.gz CSBBOXFUPIZCEG-INIZCTEOSA-N 1 0 388.559 1.291 20 0 GDADRO CO[C@@]1(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)CCS(=O)(=O)C1 ZINC000903367363 659314694 /nfs/dbraw/zinc/31/46/94/659314694.db2.gz IBXJNHORXSVDHV-IAQYHMDHSA-N 1 0 375.878 1.245 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)c1c[nH]c2cc(Br)ccc21 ZINC000903503536 659319530 /nfs/dbraw/zinc/31/95/30/659319530.db2.gz KRRIWRYMVNFZDL-NSHDSACASA-N 1 0 388.287 1.587 20 0 GDADRO C[NH2+][C@@H]1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903509921 659320893 /nfs/dbraw/zinc/32/08/93/659320893.db2.gz DFQBDPITXQPFDW-SNVBAGLBSA-N 1 0 377.260 1.301 20 0 GDADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(I)s1 ZINC000903510598 659321339 /nfs/dbraw/zinc/32/13/39/659321339.db2.gz YHYDAJMWPWPMID-MRVPVSSYSA-N 1 0 398.291 1.916 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC[C@H]1[NH3+] ZINC000903513634 659322966 /nfs/dbraw/zinc/32/29/66/659322966.db2.gz QKXNXNGBNPFJAS-BXKDBHETSA-N 1 0 391.287 1.677 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1F ZINC000903513903 659323343 /nfs/dbraw/zinc/32/33/43/659323343.db2.gz JSZQKSSTUHDGND-BDAKNGLRSA-N 1 0 381.267 1.968 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903516682 659324097 /nfs/dbraw/zinc/32/40/97/659324097.db2.gz WKMKKAOLZBEFIU-OCAPTIKFSA-N 1 0 384.264 1.478 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c1F ZINC000903518002 659325582 /nfs/dbraw/zinc/32/55/82/659325582.db2.gz INCFXMVTPYXHTG-BDAKNGLRSA-N 1 0 381.267 1.968 20 0 GDADRO [NH3+][C@H](CNS(=O)(=O)Cc1cc2c(cc1Br)OCO2)C1CC1 ZINC000903518759 659326111 /nfs/dbraw/zinc/32/61/11/659326111.db2.gz WSTZWGDCMRITGX-LLVKDONJSA-N 1 0 377.260 1.335 20 0 GDADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000903529169 659330877 /nfs/dbraw/zinc/33/08/77/659330877.db2.gz MTUNRUMUCOSIPQ-NOZJJQNGSA-N 1 0 383.297 1.905 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c1OC ZINC000903536018 659332328 /nfs/dbraw/zinc/33/23/28/659332328.db2.gz ZKQQUSFYFGPCLK-ZJUUUORDSA-N 1 0 376.862 1.269 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c1F ZINC000903537836 659332916 /nfs/dbraw/zinc/33/29/16/659332916.db2.gz DRGYTTNJODXHGT-UHFFFAOYSA-N 1 0 394.852 1.394 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903540281 659333680 /nfs/dbraw/zinc/33/36/80/659333680.db2.gz VBTSGYWBDCXXNS-BDAKNGLRSA-N 1 0 381.267 1.731 20 0 GDADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CC[NH2+]CCC12CCOCC2 ZINC000903546952 659336797 /nfs/dbraw/zinc/33/67/97/659336797.db2.gz GKZFEIPGDCHDFO-UHFFFAOYSA-N 1 0 384.889 1.521 20 0 GDADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CC[NH2+]CCC12CCOCC2 ZINC000903549814 659337779 /nfs/dbraw/zinc/33/77/79/659337779.db2.gz RZFZOVPHIRJZPV-UHFFFAOYSA-N 1 0 379.404 1.634 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1ccc(F)c(Cl)c1)C2 ZINC000903549101 659337873 /nfs/dbraw/zinc/33/78/73/659337873.db2.gz XOLBDZALWCOZAJ-WMFXKJRFSA-N 1 0 376.837 1.380 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(Br)c1 ZINC000903560520 659340825 /nfs/dbraw/zinc/34/08/25/659340825.db2.gz HSDWTLNWLISVGE-MVWJERBFSA-N 1 0 389.271 1.407 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903560700 659341208 /nfs/dbraw/zinc/34/12/08/659341208.db2.gz LGOALQABGLXEJB-YNEHKIRRSA-N 1 0 378.903 1.056 20 0 GDADRO O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000903562260 659341498 /nfs/dbraw/zinc/34/14/98/659341498.db2.gz ADTYKNWJRXDLFI-CYZMBNFOSA-N 1 0 377.388 1.150 20 0 GDADRO O=S(=O)(CCc1cccs1)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000903564051 659342653 /nfs/dbraw/zinc/34/26/53/659342653.db2.gz OSINHKSEJVRJKU-UHFFFAOYSA-N 1 0 379.551 1.815 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C[C@H]1C(F)(F)F ZINC000903570188 659344275 /nfs/dbraw/zinc/34/42/75/659344275.db2.gz URMICCBXVYZUTR-CHWSQXEVSA-N 1 0 377.388 1.324 20 0 GDADRO CC1(C)c2cc(S(=O)(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)ccc2NC1=O ZINC000903570404 659344727 /nfs/dbraw/zinc/34/47/27/659344727.db2.gz GICDZECEOOWLPU-GHMZBOCLSA-N 1 0 377.388 1.426 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000903575195 659346582 /nfs/dbraw/zinc/34/65/82/659346582.db2.gz HJWNZZQYTVYPSQ-VIFPVBQESA-N 1 0 386.948 1.568 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)s1 ZINC000903578168 659349120 /nfs/dbraw/zinc/34/91/20/659349120.db2.gz CLQXQXBZNNJOOY-IEBDPFPHSA-N 1 0 399.460 1.845 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)s1 ZINC000903578169 659349252 /nfs/dbraw/zinc/34/92/52/659349252.db2.gz CLQXQXBZNNJOOY-MIMYLULJSA-N 1 0 399.460 1.845 20 0 GDADRO COC(=O)Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903579378 659350100 /nfs/dbraw/zinc/35/01/00/659350100.db2.gz NVTJPFDMTULBRQ-QWHCGFSZSA-N 1 0 380.388 1.302 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C2 ZINC000903579449 659350255 /nfs/dbraw/zinc/35/02/55/659350255.db2.gz MCBQHBMAAKOCOR-NHCYSSNCSA-N 1 0 377.388 1.688 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1F ZINC000903579969 659350842 /nfs/dbraw/zinc/35/08/42/659350842.db2.gz RKWSXJUDBMRZCH-CMPLNLGQSA-N 1 0 384.351 1.513 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)cnc2c1Cl ZINC000903580184 659351149 /nfs/dbraw/zinc/35/11/49/659351149.db2.gz SPTUZWRQMMIDFP-UWVGGRQHSA-N 1 0 397.810 1.591 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])c1OC ZINC000903584205 659353205 /nfs/dbraw/zinc/35/32/05/659353205.db2.gz IZPFHYJKMAEHLY-HWPZZCPQSA-N 1 0 388.873 1.637 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000903590559 659356266 /nfs/dbraw/zinc/35/62/66/659356266.db2.gz ZVVWFJMJPWJMHX-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2csc(Br)c2)C[C@H]1CC[NH3+] ZINC000903729356 659378048 /nfs/dbraw/zinc/37/80/48/659378048.db2.gz ZVDAMOQKBCTAOW-ZYHUDNBSSA-N 1 0 388.331 1.912 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC[C@H]1[NH3+] ZINC000903801207 659381391 /nfs/dbraw/zinc/38/13/91/659381391.db2.gz MXCZHXVJDHHCGF-KCPJHIHWSA-N 1 0 395.301 1.703 20 0 GDADRO O=C(C(=O)N1CCC[C@@H]1c1cncc(Br)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903799993 659381451 /nfs/dbraw/zinc/38/14/51/659381451.db2.gz HDUNYWAIAJTRDF-VNHYZAJKSA-N 1 0 393.285 1.185 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@]1(F)CCS(=O)(=O)C1 ZINC000903825310 659382685 /nfs/dbraw/zinc/38/26/85/659382685.db2.gz YUBAYORXFGXNTB-CYBMUJFWSA-N 1 0 376.416 1.636 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(Cc3c(F)cccc3Cl)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904080055 659394230 /nfs/dbraw/zinc/39/42/30/659394230.db2.gz XRYAYYYGAJRVQR-CHIMOYNISA-N 1 0 385.848 1.628 20 0 GDADRO CSCc1ccc(-c2noc(C[C@@H]3CS(=O)(=O)[C@@H]4C[NH2+]C[C@@H]34)n2)cc1 ZINC000904088878 659394955 /nfs/dbraw/zinc/39/49/55/659394955.db2.gz QAHPTRLPERJTGJ-QLFBSQMISA-N 1 0 379.507 1.775 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(I)c1 ZINC000904276635 659398608 /nfs/dbraw/zinc/39/86/08/659398608.db2.gz VIBPZTZVVVQYCH-GFCCVEGCSA-N 1 0 375.210 1.743 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(F)c1I ZINC000904394131 659399609 /nfs/dbraw/zinc/39/96/09/659399609.db2.gz PFTVSFKICKHHDW-SECBINFHSA-N 1 0 393.200 1.882 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000904972584 659415272 /nfs/dbraw/zinc/41/52/72/659415272.db2.gz LZUXRVGXFDCZJJ-BZNIZROVSA-N 1 0 384.274 1.730 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC[S@](=O)C(C)(C)C)CCC1 ZINC000905109939 659424870 /nfs/dbraw/zinc/42/48/70/659424870.db2.gz OYAQTYLPYRSTKX-ZLOXQWCVSA-N 1 0 382.592 1.125 20 0 GDADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)C3(O)CCOCC3)nc12 ZINC000905208534 659433038 /nfs/dbraw/zinc/43/30/38/659433038.db2.gz LQUOMCOXXGRHIH-HNNXBMFYSA-N 1 0 398.301 1.440 20 0 GDADRO Cc1cc(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)ccc1I ZINC000905245598 659436654 /nfs/dbraw/zinc/43/66/54/659436654.db2.gz XCZZFHZDNRLCPX-HIFRSBDPSA-N 1 0 391.249 1.592 20 0 GDADRO Cc1cc(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)ccc1I ZINC000905245601 659436713 /nfs/dbraw/zinc/43/67/13/659436713.db2.gz XCZZFHZDNRLCPX-UKRRQHHQSA-N 1 0 391.249 1.592 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccc(Cl)cc1F ZINC000905248059 659436862 /nfs/dbraw/zinc/43/68/62/659436862.db2.gz QOAQZQDGXLANSD-ZDUSSCGKSA-N 1 0 394.896 1.403 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)C1(O)CCC1)c1cccc(Cl)c1Cl ZINC000905258281 659437805 /nfs/dbraw/zinc/43/78/05/659437805.db2.gz ZBJMPWXMTQEKAH-LBPRGKRZSA-N 1 0 383.297 1.137 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC(C)(C)OCC2CC2)CCC1 ZINC000905285576 659439565 /nfs/dbraw/zinc/43/95/65/659439565.db2.gz IXKALBSAEPKFJV-HNNXBMFYSA-N 1 0 376.563 1.783 20 0 GDADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000905292272 659441276 /nfs/dbraw/zinc/44/12/76/659441276.db2.gz PHWKKQDJNDPHIF-MAUKXSAKSA-N 1 0 375.531 1.665 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C2(C)C)ccc1Br ZINC000905353562 659445645 /nfs/dbraw/zinc/44/56/45/659445645.db2.gz HGLHBIYUHSZYTI-LBPRGKRZSA-N 1 0 391.287 1.655 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C2(C)C)c(Br)o1 ZINC000905353691 659445668 /nfs/dbraw/zinc/44/56/68/659445668.db2.gz IXVOOLWUFGUJAN-SECBINFHSA-N 1 0 381.248 1.248 20 0 GDADRO CC1(C)[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000905354461 659446136 /nfs/dbraw/zinc/44/61/36/659446136.db2.gz RJVLYVKRJSVFCK-GFCCVEGCSA-N 1 0 379.404 1.398 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)CC1 ZINC000905444928 659454080 /nfs/dbraw/zinc/45/40/80/659454080.db2.gz CACYWASWPNNFJT-CKEIUWERSA-N 1 0 376.519 1.304 20 0 GDADRO COc1cc(NC(=O)CC[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c(OC)cc1Cl ZINC000905453936 659454714 /nfs/dbraw/zinc/45/47/14/659454714.db2.gz UDMRQVANSKMGPO-XYPYZODXSA-N 1 0 390.889 1.851 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000905595377 659467596 /nfs/dbraw/zinc/46/75/96/659467596.db2.gz OAQTXTFZZJUGBY-AWEZNQCLSA-N 1 0 377.503 1.061 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000905650795 659471677 /nfs/dbraw/zinc/47/16/77/659471677.db2.gz DNVFWJOVFXMWKD-JYJNAYRXSA-N 1 0 376.563 1.519 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCS(=O)(=O)N2CCCC2)c1 ZINC000905663455 659472637 /nfs/dbraw/zinc/47/26/37/659472637.db2.gz FTVMVHBBZMTMKB-AWEZNQCLSA-N 1 0 376.906 1.403 20 0 GDADRO CC[C@H]1C[N@H+](C)CCN1Cn1nnn(-c2ccc(Br)cc2)c1=O ZINC000905670522 659474382 /nfs/dbraw/zinc/47/43/82/659474382.db2.gz SERPPURGDHPUSY-ZDUSSCGKSA-N 1 0 381.278 1.175 20 0 GDADRO Cc1nn(C)c(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c1Br ZINC000905831099 659485876 /nfs/dbraw/zinc/48/58/76/659485876.db2.gz HZMZRFCFMXMJAD-CHWSQXEVSA-N 1 0 395.305 1.899 20 0 GDADRO Cn1nnc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1C(F)(F)F ZINC000906123313 659522284 /nfs/dbraw/zinc/52/22/84/659522284.db2.gz DHLVQEDMQQFLBW-UHFFFAOYSA-N 1 0 377.436 1.925 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1I)C[NH+]1CCCCC1 ZINC000906344269 659532274 /nfs/dbraw/zinc/53/22/74/659532274.db2.gz OQVIGZVOXJFUEA-LLVKDONJSA-N 1 0 390.269 1.877 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cn(C)nc2I)C1 ZINC000906434170 659539860 /nfs/dbraw/zinc/53/98/60/659539860.db2.gz ADKMYDPASPICPT-SNVBAGLBSA-N 1 0 376.242 1.485 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000906494738 659547893 /nfs/dbraw/zinc/54/78/93/659547893.db2.gz WTHSBYPEGCXOSM-KRWDZBQOSA-N 1 0 396.329 1.842 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000906558936 659554475 /nfs/dbraw/zinc/55/44/75/659554475.db2.gz FZDQBSLUQMASGR-INIZCTEOSA-N 1 0 395.345 1.637 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000906618686 659561432 /nfs/dbraw/zinc/56/14/32/659561432.db2.gz KUBQESIXOMYPPE-LBPRGKRZSA-N 1 0 394.273 1.480 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C1 ZINC000906669830 659567393 /nfs/dbraw/zinc/56/73/93/659567393.db2.gz GZNYGLQJAHRFFS-LLVKDONJSA-N 1 0 381.889 1.782 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2nn(C(C)C)cc2Br)CC1 ZINC000906672875 659568126 /nfs/dbraw/zinc/56/81/26/659568126.db2.gz PFXXYKPEWUOZTO-ZDUSSCGKSA-N 1 0 386.338 1.982 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906682326 659570198 /nfs/dbraw/zinc/57/01/98/659570198.db2.gz CBKBQMKOMVMBFN-JQWIXIFHSA-N 1 0 381.889 1.699 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000906699057 659573067 /nfs/dbraw/zinc/57/30/67/659573067.db2.gz BPIUOAHSGIHGPP-LLVKDONJSA-N 1 0 392.257 1.445 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000906709435 659574480 /nfs/dbraw/zinc/57/44/80/659574480.db2.gz YVNMPNAPRBFWCQ-SECBINFHSA-N 1 0 375.654 1.550 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000906739731 659578352 /nfs/dbraw/zinc/57/83/52/659578352.db2.gz PFEUTTVIKSAOGL-HOMQSWHASA-N 1 0 387.221 1.392 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1I ZINC000906740585 659578899 /nfs/dbraw/zinc/57/88/99/659578899.db2.gz YPEIEWRCPTUDJC-HOMQSWHASA-N 1 0 387.221 1.392 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000906779257 659585656 /nfs/dbraw/zinc/58/56/56/659585656.db2.gz HKNGDJQZWUBKQJ-MRVPVSSYSA-N 1 0 392.200 1.113 20 0 GDADRO C[C@@H](NC(=O)c1cccn2ncc(Br)c12)[C@@H]1C[N@H+](C)CCN1C ZINC000906780950 659586737 /nfs/dbraw/zinc/58/67/37/659586737.db2.gz SZELEOPYDFAZLD-RISCZKNCSA-N 1 0 380.290 1.461 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cn(C)nc1I ZINC000906816042 659593310 /nfs/dbraw/zinc/59/33/10/659593310.db2.gz AKVHCZYIIADGJI-NSHDSACASA-N 1 0 390.269 1.971 20 0 GDADRO CO[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000906856628 659602591 /nfs/dbraw/zinc/60/25/91/659602591.db2.gz QRFIOFZCVWNVLW-LBPRGKRZSA-N 1 0 377.304 1.771 20 0 GDADRO Cn1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(I)n1 ZINC000906917539 659617823 /nfs/dbraw/zinc/61/78/23/659617823.db2.gz YAHZQDLRFSNEIP-ZJUUUORDSA-N 1 0 376.242 1.627 20 0 GDADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1 ZINC000906980126 659634198 /nfs/dbraw/zinc/63/41/98/659634198.db2.gz GSUPMRGBFZEOLF-UHFFFAOYSA-N 1 0 386.905 1.948 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)NC(C)(C)COc2ncccc2Br)C1 ZINC000907085462 659663598 /nfs/dbraw/zinc/66/35/98/659663598.db2.gz PBFBENDXQYRZAH-UHFFFAOYSA-N 1 0 399.333 1.611 20 0 GDADRO CN(CC(C)(C)CN1CCOCC1)C(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000907109489 659669489 /nfs/dbraw/zinc/66/94/89/659669489.db2.gz QTDKASZRGJZVSM-LLVKDONJSA-N 1 0 375.724 1.924 20 0 GDADRO C[C@@H]1CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000907174254 659690162 /nfs/dbraw/zinc/69/01/62/659690162.db2.gz HXQMZWMSXMGQPU-UPJWGTAASA-N 1 0 386.751 1.592 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)n1 ZINC000907283466 659719575 /nfs/dbraw/zinc/71/95/75/659719575.db2.gz XKDNSZKBKYWXIG-LLVKDONJSA-N 1 0 381.278 1.149 20 0 GDADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000907291837 659721273 /nfs/dbraw/zinc/72/12/73/659721273.db2.gz MUEXMNYXIAKXAY-ZIAGYGMSSA-N 1 0 395.714 1.991 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000907329521 659728169 /nfs/dbraw/zinc/72/81/69/659728169.db2.gz WNLUXHVSQMJEDG-UHFFFAOYSA-N 1 0 388.511 1.456 20 0 GDADRO 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C[C@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccc(I)cc1 ZINC000911879913 660020057 /nfs/dbraw/zinc/02/00/57/660020057.db2.gz QLSDPABPEKECAG-SMDDNHRTSA-N 1 0 387.265 1.496 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)Nc1ccc(OC(F)(F)F)cc1 ZINC000911928377 660021674 /nfs/dbraw/zinc/02/16/74/660021674.db2.gz OOFNMGUHRAHHAU-WQAKAFBOSA-N 1 0 378.372 1.546 20 0 GDADRO NC(=O)C1CCN(C(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)CC1 ZINC000911939061 660021765 /nfs/dbraw/zinc/02/17/65/660021765.db2.gz SYNJUVYOKCUBJV-UHFFFAOYSA-N 1 0 394.313 1.794 20 0 GDADRO O=C(N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911977873 660023269 /nfs/dbraw/zinc/02/32/69/660023269.db2.gz JPFLMUPAOSPVMG-DYVFJYSZSA-N 1 0 383.901 1.315 20 0 GDADRO COc1ccc(Cl)cc1CN(C)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC000912136836 660027847 /nfs/dbraw/zinc/02/78/47/660027847.db2.gz VRDLQGGDAJRZMY-IVMMDQJWSA-N 1 0 386.901 1.330 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)Nc1cc(C(F)(F)F)ccc1F ZINC000912239119 660030490 /nfs/dbraw/zinc/03/04/90/660030490.db2.gz JXPGIVNGGRUMFU-ZDSQKVDBSA-N 1 0 380.363 1.806 20 0 GDADRO COCc1cccc(NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)c1 ZINC000912404599 660036000 /nfs/dbraw/zinc/03/60/00/660036000.db2.gz QVQQXSICPSJXPO-UHFFFAOYSA-N 1 0 380.242 1.968 20 0 GDADRO CN(CC[N@H+](C)CCO)C(=O)c1cc(I)c(F)cc1F ZINC000912608447 660044653 /nfs/dbraw/zinc/04/46/53/660044653.db2.gz WGICJXLKGMXFFL-UHFFFAOYSA-N 1 0 398.191 1.566 20 0 GDADRO CCn1c(SCC(=O)N(C)CC[N@H+](C)CCO)nnc1-c1cccs1 ZINC000912611745 660045472 /nfs/dbraw/zinc/04/54/72/660045472.db2.gz XKDKNUXGNPZZON-UHFFFAOYSA-N 1 0 383.543 1.501 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC000913292944 660075287 /nfs/dbraw/zinc/07/52/87/660075287.db2.gz GMRHJRKRAWUNDE-IRXDYDNUSA-N 1 0 385.917 1.662 20 0 GDADRO C[NH+](C)C1(C)CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000913395402 660078150 /nfs/dbraw/zinc/07/81/50/660078150.db2.gz XLSRTQSAWCADFM-UHFFFAOYSA-N 1 0 377.869 1.683 20 0 GDADRO CNc1cc(I)ccc1C(=O)N1CCN(C)[C@H](CO)C1 ZINC000913541836 660085566 /nfs/dbraw/zinc/08/55/66/660085566.db2.gz VXLPJFIOFFAQOR-NSHDSACASA-N 1 0 389.237 1.081 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000913683893 660092173 /nfs/dbraw/zinc/09/21/73/660092173.db2.gz XAYQJRWPBSBKJW-UHFFFAOYSA-N 1 0 381.274 1.626 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)C1 ZINC000913713799 660093964 /nfs/dbraw/zinc/09/39/64/660093964.db2.gz FEYRSAQQXNDUHL-SFHVURJKSA-N 1 0 398.345 1.352 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000913830662 660099077 /nfs/dbraw/zinc/09/90/77/660099077.db2.gz DTTCALVWCILLLV-UHFFFAOYSA-N 1 0 377.551 1.606 20 0 GDADRO CC(C)(CNS(C)(=O)=O)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000913891021 660103005 /nfs/dbraw/zinc/10/30/05/660103005.db2.gz HKGLNIFHHDNFMB-CYBMUJFWSA-N 1 0 388.559 1.512 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)s1 ZINC000913974210 660108416 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CS[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC[C@@H]2C1 ZINC001571271809 945650535 /nfs/dbraw/zinc/65/05/35/945650535.db2.gz KBSFCXUXIXNIAM-LZWOXQAQSA-N 1 0 386.525 1.899 20 0 GDADRO CO[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1)C(C)C ZINC001571271747 945650609 /nfs/dbraw/zinc/65/06/09/945650609.db2.gz ITEQRTSPZLNHTD-MSOLQXFVSA-N 1 0 386.500 1.961 20 0 GDADRO Cc1nc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)s1 ZINC001571271865 945651683 /nfs/dbraw/zinc/65/16/83/945651683.db2.gz LDNCDNWWKPLCAV-HAQNSBGRSA-N 1 0 386.485 1.566 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000821268416 945661838 /nfs/dbraw/zinc/66/18/38/945661838.db2.gz WJCKCHYVMFLZQO-TZMCWYRMSA-N 1 0 375.477 1.820 20 0 GDADRO CCc1n[nH]cc1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272735 945669328 /nfs/dbraw/zinc/66/93/28/945669328.db2.gz ZCYROVUXAQWUJR-LLVKDONJSA-N 1 0 386.485 1.466 20 0 GDADRO CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC001571274626 945699376 /nfs/dbraw/zinc/69/93/76/945699376.db2.gz JHOQCAXBUMGRGQ-LLVKDONJSA-N 1 0 386.909 1.919 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571277669 945744103 /nfs/dbraw/zinc/74/41/03/945744103.db2.gz RNDYSNWDYFSPNO-YPFXGUDJSA-N 1 0 387.394 1.771 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccsn1 ZINC001571279784 945789155 /nfs/dbraw/zinc/78/91/55/945789155.db2.gz VSAYOEANZMZNGI-HZMBPMFUSA-N 1 0 387.444 1.855 20 0 GDADRO COc1cccc(N2C[C@H]([NH2+]C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2=O)c1 ZINC000821871777 945890928 /nfs/dbraw/zinc/89/09/28/945890928.db2.gz DODAYQRAPBDGOJ-QAPCUYQASA-N 1 0 394.435 1.304 20 0 GDADRO CC(=O)N[C@@](C)(C(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573456761 945896139 /nfs/dbraw/zinc/89/61/39/945896139.db2.gz OIJRJQLRIBRCQX-ORAYPTAESA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001571284649 945905951 /nfs/dbraw/zinc/90/59/51/945905951.db2.gz SABMQSKJASPPQM-BBRMVZONSA-N 1 0 387.488 1.594 20 0 GDADRO CC1(C)CN(C(=O)[C@H]2CCOC2)C[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571287269 945969616 /nfs/dbraw/zinc/96/96/16/945969616.db2.gz CDIZLULOMBHCEE-BBRMVZONSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287429 945971843 /nfs/dbraw/zinc/97/18/43/945971843.db2.gz DJLQWDRUMWASGL-NGFQHRJXSA-N 1 0 388.447 1.415 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@@H]1CCCOC1 ZINC001571288484 945988455 /nfs/dbraw/zinc/98/84/55/945988455.db2.gz PNBDQLQTUFYJHP-KFWWJZLASA-N 1 0 388.447 1.417 20 0 GDADRO Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000822205792 945991103 /nfs/dbraw/zinc/99/11/03/945991103.db2.gz INDSZNFBHOVAPX-KRWDZBQOSA-N 1 0 383.431 1.565 20 0 GDADRO O=C(C[C@@H]1CCOC1)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571288953 945995381 /nfs/dbraw/zinc/99/53/81/945995381.db2.gz VBPKEYSCDHWDQO-FUJMWEONSA-N 1 0 388.447 1.417 20 0 GDADRO O=C(C[C@H]1CCOC1)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571288954 945996508 /nfs/dbraw/zinc/99/65/08/945996508.db2.gz VBPKEYSCDHWDQO-VEAWUBTESA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571289314 946001744 /nfs/dbraw/zinc/00/17/44/946001744.db2.gz ZNMABGSLZTXCLZ-MHEUCROKSA-N 1 0 388.447 1.415 20 0 GDADRO COc1cc(C[NH2+][C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)sn1 ZINC001571289475 946007339 /nfs/dbraw/zinc/00/73/39/946007339.db2.gz FPJLDPBCCYYPFF-LLVKDONJSA-N 1 0 388.457 1.054 20 0 GDADRO O=C(NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cnn(C(F)F)c1 ZINC001571292234 946091942 /nfs/dbraw/zinc/09/19/42/946091942.db2.gz WDGLWSFFTZEMCR-JTQLQIEISA-N 1 0 389.370 1.110 20 0 GDADRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@@H]([C@H]2CCCO2)C1 ZINC001571293826 946119126 /nfs/dbraw/zinc/11/91/26/946119126.db2.gz SSJYUIDOAZRGGV-KBRIMQKVSA-N 1 0 389.431 1.938 20 0 GDADRO Cc1sc(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c(-c2nn[nH]n2)c1C ZINC000822557764 946126920 /nfs/dbraw/zinc/12/69/20/946126920.db2.gz JVWHGLASGSPLJN-CYBMUJFWSA-N 1 0 375.502 1.654 20 0 GDADRO CC(=O)N[C@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC001573478955 946154428 /nfs/dbraw/zinc/15/44/28/946154428.db2.gz ZLBFPIYTOSFRRS-MLGOLLRUSA-N 1 0 387.488 1.012 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccsc2-c2nn[nH]n2)CC1 ZINC001571295494 946163935 /nfs/dbraw/zinc/16/39/35/946163935.db2.gz VGAUYYSYLCYBTO-OAHLLOKOSA-N 1 0 389.529 1.697 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C(C)C ZINC001571298500 946218612 /nfs/dbraw/zinc/21/86/12/946218612.db2.gz PLUVKZNPALVDMT-WMLDXEAASA-N 1 0 390.463 1.757 20 0 GDADRO O=C(CC[N@H+]1CC[C@H](CO)C1)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000822964648 946239153 /nfs/dbraw/zinc/23/91/53/946239153.db2.gz NDJNQIQRBINQPR-NSHDSACASA-N 1 0 376.486 1.450 20 0 GDADRO Cc1cc(-c2nn[nH]n2)cc(C)c1CS(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001571299957 946266168 /nfs/dbraw/zinc/26/61/68/946266168.db2.gz SFRNCDFHAYQWKU-QAPCUYQASA-N 1 0 390.513 1.197 20 0 GDADRO Cc1nsc(N2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)c1-c1nn[nH]n1 ZINC001571300083 946271167 /nfs/dbraw/zinc/27/11/67/946271167.db2.gz UGRSMPUHFPSYKH-NEPJUHHUSA-N 1 0 390.517 1.057 20 0 GDADRO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC2(CCOCC2)C1 ZINC001573497486 946349124 /nfs/dbraw/zinc/34/91/24/946349124.db2.gz RJOUSZISSPPHRK-HNNXBMFYSA-N 1 0 388.447 1.513 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571304094 946357310 /nfs/dbraw/zinc/35/73/10/946357310.db2.gz XTLPKPHBYFJWFE-RDTXWAMCSA-N 1 0 391.435 1.009 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2-c2nn[nH]n2)C3)c1 ZINC001571305402 946360479 /nfs/dbraw/zinc/36/04/79/946360479.db2.gz ACYKBNHYPVMYKS-QGTPRVQTSA-N 1 0 391.479 1.988 20 0 GDADRO O=C(CCc1cccnc1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571305439 946363859 /nfs/dbraw/zinc/36/38/59/946363859.db2.gz BCRBGJMQIQPOAX-SFHVURJKSA-N 1 0 391.479 1.975 20 0 GDADRO C[C@@H](NC(=O)c1cc2c([nH]1)CCC2)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571305741 946373373 /nfs/dbraw/zinc/37/33/73/946373373.db2.gz BMOXRLQAXFYSSB-CYBMUJFWSA-N 1 0 391.479 1.934 20 0 GDADRO CCc1ccc(CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)nc1 ZINC001571305772 946375814 /nfs/dbraw/zinc/37/58/14/946375814.db2.gz CFXOXGVILRHDKM-IBGZPJMESA-N 1 0 391.479 1.757 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)[C@H]1CC1(F)F ZINC001571309046 946440552 /nfs/dbraw/zinc/44/05/52/946440552.db2.gz WKYKKUUHTXVEDS-APIJFGDWSA-N 1 0 392.385 1.455 20 0 GDADRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571311125 946483639 /nfs/dbraw/zinc/48/36/39/946483639.db2.gz RPQPONGJOBAEOP-DZGCQCFKSA-N 1 0 392.435 1.323 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2C2CC2)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571312747 946501034 /nfs/dbraw/zinc/50/10/34/946501034.db2.gz CINLZPRDKKPOFB-PXAZEXFGSA-N 1 0 392.467 1.860 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1 ZINC001571313030 946510892 /nfs/dbraw/zinc/51/08/92/946510892.db2.gz IFWWEQLEKVIZSR-HNNXBMFYSA-N 1 0 392.467 1.425 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)c2n[nH]c3c2CCC3)C1 ZINC001571313031 946510920 /nfs/dbraw/zinc/51/09/20/946510920.db2.gz IFWWEQLEKVIZSR-OAHLLOKOSA-N 1 0 392.467 1.425 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cncnc1 ZINC001571313512 946526216 /nfs/dbraw/zinc/52/62/16/946526216.db2.gz QMVHWRVXKAHJSD-RDTXWAMCSA-N 1 0 392.467 1.369 20 0 GDADRO Cc1cc(C)nc(C(=O)N2CCC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571314716 946542594 /nfs/dbraw/zinc/54/25/94/946542594.db2.gz AYNYFCRLLRTTHZ-OAHLLOKOSA-N 1 0 392.467 1.660 20 0 GDADRO Cc1cc(N[C@@H]2CCC[C@H]3CN(C(=O)c4cc[nH]c4)C[C@H]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314737 946542750 /nfs/dbraw/zinc/54/27/50/946542750.db2.gz BSDXTAZQTNBWFW-USXIJHARSA-N 1 0 392.467 1.673 20 0 GDADRO Cc1cc(NC[C@H]2CCN(C(=O)c3ccncc3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314769 946544580 /nfs/dbraw/zinc/54/45/80/946544580.db2.gz CKZCAFWORVNMDP-XJKSGUPXSA-N 1 0 392.467 1.597 20 0 GDADRO Cc1cc(N[C@H]2C[C@@H](NC(=O)c3cc4n(c3)CCCC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315006 946546368 /nfs/dbraw/zinc/54/63/68/946546368.db2.gz GHNUWZDAADPDOP-GASCZTMLSA-N 1 0 392.467 1.503 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)cnn1 ZINC001571315395 946551943 /nfs/dbraw/zinc/55/19/43/946551943.db2.gz JILLGQAGUBESKA-OAHLLOKOSA-N 1 0 392.467 1.559 20 0 GDADRO Cc1cc(N2C[C@@H](NC(=O)Cc3cccnc3)CC[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316147 946566669 /nfs/dbraw/zinc/56/66/69/946566669.db2.gz UXISZBKKQMINIR-ZBFHGGJFSA-N 1 0 392.467 1.681 20 0 GDADRO O=C(Cc1c[nH]cn1)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccccc1-c1nn[nH]n1)CC2 ZINC001571316396 946574569 /nfs/dbraw/zinc/57/45/69/946574569.db2.gz BJIKKLGFUZCLHV-FXAWDEMLSA-N 1 0 392.467 1.446 20 0 GDADRO CC(C)(C)NC(=O)CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824093712 946584719 /nfs/dbraw/zinc/58/47/19/946584719.db2.gz KXTNSXKNCQKYJX-UHFFFAOYSA-N 1 0 385.516 1.726 20 0 GDADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccn1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571316717 946587389 /nfs/dbraw/zinc/58/73/89/946587389.db2.gz KQTCUTFXFRCVPV-RBVVOMGSSA-N 1 0 392.467 1.763 20 0 GDADRO Cc1cnc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571316782 946587558 /nfs/dbraw/zinc/58/75/58/946587558.db2.gz MQEBRMLIJRERKP-PBHICJAKSA-N 1 0 392.467 1.748 20 0 GDADRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c(C2CC2)n1 ZINC001571316857 946590629 /nfs/dbraw/zinc/59/06/29/946590629.db2.gz OGOFDXHJNJNKKF-MRXNPFEDSA-N 1 0 392.467 1.482 20 0 GDADRO CC(C)(C)[S@](=O)CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824123281 946597296 /nfs/dbraw/zinc/59/72/96/946597296.db2.gz BMYWGTIGFINWJP-HHHXNRCGSA-N 1 0 390.557 1.968 20 0 GDADRO Cc1ncc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)c(C)n1 ZINC001571317079 946599854 /nfs/dbraw/zinc/59/98/54/946599854.db2.gz UYSBBJHPPGSREV-SJKOYZFVSA-N 1 0 392.467 1.666 20 0 GDADRO CC(C)C(=O)NCCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824178597 946610500 /nfs/dbraw/zinc/61/05/00/946610500.db2.gz ZDHZGYHKBRLOBH-UHFFFAOYSA-N 1 0 385.516 1.583 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCc2nccn2C1 ZINC001571317680 946619691 /nfs/dbraw/zinc/61/96/91/946619691.db2.gz QSTUXCYPSRMSKW-HRCADAONSA-N 1 0 392.467 1.063 20 0 GDADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000824255372 946633848 /nfs/dbraw/zinc/63/38/48/946633848.db2.gz HHYDPRSISUXVKS-INIZCTEOSA-N 1 0 386.500 1.820 20 0 GDADRO C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[nH]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824506081 946751741 /nfs/dbraw/zinc/75/17/41/946751741.db2.gz LAOQHYQGWCOPPS-DZGCQCFKSA-N 1 0 395.471 1.632 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824548069 946790784 /nfs/dbraw/zinc/79/07/84/946790784.db2.gz UZTMZBPKTWPJMC-CJNGLKHVSA-N 1 0 380.456 1.442 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553730 946795338 /nfs/dbraw/zinc/79/53/38/946795338.db2.gz GENCXKMYVIQPSW-XJKSGUPXSA-N 1 0 377.452 1.895 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824571342 946812770 /nfs/dbraw/zinc/81/27/70/946812770.db2.gz QBVAWNLPRQZAAU-FZMZJTMJSA-N 1 0 393.494 1.414 20 0 GDADRO CC[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccc(OC)cc1 ZINC000825039745 947055709 /nfs/dbraw/zinc/05/57/09/947055709.db2.gz VRJPAIVNSZSRFO-AWEZNQCLSA-N 1 0 398.471 1.883 20 0 GDADRO C=C/C(C)=C\CC(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573316040 947265524 /nfs/dbraw/zinc/26/55/24/947265524.db2.gz FOCBGTLFCGFGKN-KSKAUBAUSA-N 1 0 383.456 1.154 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573591534 947313830 /nfs/dbraw/zinc/31/38/30/947313830.db2.gz CJZOUSZXLSMWCA-QWHCGFSZSA-N 1 0 375.477 1.199 20 0 GDADRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573592920 947354548 /nfs/dbraw/zinc/35/45/48/947354548.db2.gz OHUQGFUFVYBBGD-WBVHZDCISA-N 1 0 379.468 1.962 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573594728 947405770 /nfs/dbraw/zinc/40/57/70/947405770.db2.gz RLTKBNBFQCIQGR-ACJLOTCBSA-N 1 0 392.467 1.531 20 0 GDADRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573594738 947406402 /nfs/dbraw/zinc/40/64/02/947406402.db2.gz RMXJGMXTNSXQMS-PBHICJAKSA-N 1 0 380.456 1.357 20 0 GDADRO C[C@H](C(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573594824 947407734 /nfs/dbraw/zinc/40/77/34/947407734.db2.gz UPHJLOOYHVOPGA-GRTSSRMGSA-N 1 0 378.440 1.284 20 0 GDADRO CNC(=O)C1CCC([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826050804 947419843 /nfs/dbraw/zinc/41/98/43/947419843.db2.gz DVKQNUTUUKPERR-UHFFFAOYSA-N 1 0 397.527 1.726 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573595928 947424378 /nfs/dbraw/zinc/42/43/78/947424378.db2.gz HSZLZHSVUYGFOC-GXTWGEPZSA-N 1 0 392.479 1.597 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001573596569 947431148 /nfs/dbraw/zinc/43/11/48/947431148.db2.gz LCULDAPWVVPADU-LRDDRELGSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@@H](C(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573597852 947440251 /nfs/dbraw/zinc/44/02/51/947440251.db2.gz PBWCHDPTDQCEIR-CYBMUJFWSA-N 1 0 383.460 1.084 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC001573599586 947457982 /nfs/dbraw/zinc/45/79/82/947457982.db2.gz YIODSYSAWLSXPL-CJNGLKHVSA-N 1 0 384.440 1.172 20 0 GDADRO C[C@@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC001573605310 947530241 /nfs/dbraw/zinc/53/02/41/947530241.db2.gz VKWRNMOOIXVMAC-OAHLLOKOSA-N 1 0 386.500 1.604 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)cc1 ZINC001573355938 947646444 /nfs/dbraw/zinc/64/64/44/947646444.db2.gz STUNHGFENHXOKS-KRWDZBQOSA-N 1 0 378.436 1.390 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001573356301 947650484 /nfs/dbraw/zinc/65/04/84/947650484.db2.gz WIKYRVXFKJYDAE-GOSISDBHSA-N 1 0 378.436 1.390 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573619563 947667111 /nfs/dbraw/zinc/66/71/11/947667111.db2.gz VSFNIFJNMFSELZ-CZUORRHYSA-N 1 0 383.431 1.759 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)n1cccn1 ZINC001573623376 947685609 /nfs/dbraw/zinc/68/56/09/947685609.db2.gz DWBMHHZFOAMPLO-SWLSCSKDSA-N 1 0 384.419 1.154 20 0 GDADRO C/C(=C/C(=O)N1CCC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001573362787 947705272 /nfs/dbraw/zinc/70/52/72/947705272.db2.gz LLIIDYXPBHITGJ-ODDCISTRSA-N 1 0 381.484 1.999 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573368349 947769296 /nfs/dbraw/zinc/76/92/96/947769296.db2.gz NIEFEJINZOSRNB-DOTOQJQBSA-N 1 0 384.484 1.953 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccsc1 ZINC001573637506 947814340 /nfs/dbraw/zinc/81/43/40/947814340.db2.gz GXZGVROYMMXELE-GXTWGEPZSA-N 1 0 383.481 1.952 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001573376183 947831645 /nfs/dbraw/zinc/83/16/45/947831645.db2.gz SQVBDAXPPLAWDC-HOCLYGCPSA-N 1 0 385.472 1.803 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001573377074 947846255 /nfs/dbraw/zinc/84/62/55/947846255.db2.gz GXYVTSCOLPJTRR-CALCHBBNSA-N 1 0 382.468 1.516 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573377095 947846828 /nfs/dbraw/zinc/84/68/28/947846828.db2.gz HZTXSBQRPBWBQP-OLZOCXBDSA-N 1 0 376.436 1.748 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573383825 947896392 /nfs/dbraw/zinc/89/63/92/947896392.db2.gz XUEYQYIYHHESDK-AWEZNQCLSA-N 1 0 385.472 1.742 20 0 GDADRO Cc1nn(C)c(C)c1C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826333325 947968365 /nfs/dbraw/zinc/96/83/65/947968365.db2.gz CRGMMPOKXSRWSO-UHFFFAOYSA-N 1 0 380.500 1.971 20 0 GDADRO C[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccc1 ZINC001573655136 947974550 /nfs/dbraw/zinc/97/45/50/947974550.db2.gz WEZAFKBKZBDQDR-KBXCAEBGSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573657143 947999197 /nfs/dbraw/zinc/99/91/97/947999197.db2.gz LEUKAXXPZYGUSP-IFXJQAMLSA-N 1 0 380.456 1.405 20 0 GDADRO Cc1onc(CC(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1-c1nn[nH]n1 ZINC000826344145 948001270 /nfs/dbraw/zinc/00/12/70/948001270.db2.gz YLAAVWQXZWMAGD-UHFFFAOYSA-N 1 0 381.440 1.835 20 0 GDADRO Cc1onc(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826346644 948042100 /nfs/dbraw/zinc/04/21/00/948042100.db2.gz RQVHAKKUJBULIO-UHFFFAOYSA-N 1 0 381.440 1.486 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573666002 948080551 /nfs/dbraw/zinc/08/05/51/948080551.db2.gz OMMJBVUHXLUOEO-GDBMZVCRSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573671366 948107983 /nfs/dbraw/zinc/10/79/83/948107983.db2.gz FHIPEPNDQOGOAA-RDTXWAMCSA-N 1 0 377.452 1.756 20 0 GDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCCO1 ZINC001573671424 948108313 /nfs/dbraw/zinc/10/83/13/948108313.db2.gz GIBVHTJNEQARDJ-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573680201 948174761 /nfs/dbraw/zinc/17/47/61/948174761.db2.gz MRCCKONPIZJWNQ-DGCLKSJQSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001573681445 948204552 /nfs/dbraw/zinc/20/45/52/948204552.db2.gz WYBOCPMLHPPKIV-RYUDHWBXSA-N 1 0 388.501 1.402 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)n1cccn1 ZINC001573691409 948240333 /nfs/dbraw/zinc/24/03/33/948240333.db2.gz GPCCMRVRUOAYAK-GFCCVEGCSA-N 1 0 384.419 1.202 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC001573692545 948268118 /nfs/dbraw/zinc/26/81/18/948268118.db2.gz PRHFZYLGLUROGP-WFASDCNBSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccn1 ZINC001573695920 948311420 /nfs/dbraw/zinc/31/14/20/948311420.db2.gz JGWVWXNAZYZJOS-XDKFSHSGSA-N 1 0 392.467 1.118 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)C1CCCC1 ZINC001573696244 948320389 /nfs/dbraw/zinc/32/03/89/948320389.db2.gz MOVMKFIVUDIDSE-ZFZWDLNGSA-N 1 0 381.484 1.886 20 0 GDADRO C[C@H](C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573696498 948326931 /nfs/dbraw/zinc/32/69/31/948326931.db2.gz RIMBKZYUMWPBOG-BZOOQXSSSA-N 1 0 380.456 1.309 20 0 GDADRO O=C1[C@H](N2CC[C@@H]([NH+]3CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476083 948377303 /nfs/dbraw/zinc/37/73/03/948377303.db2.gz AHQOZHSMGQOEAV-QZTJIDSGSA-N 1 0 381.484 1.532 20 0 GDADRO O=C1[C@@H]([NH2+]Cc2cnc3ccccn23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476138 948378107 /nfs/dbraw/zinc/37/81/07/948378107.db2.gz BMHAKYRGGSFYHH-KRWDZBQOSA-N 1 0 388.435 1.800 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573705038 948389613 /nfs/dbraw/zinc/38/96/13/948389613.db2.gz VGMTWWFRBWHGMV-KBPBESRZSA-N 1 0 381.444 1.052 20 0 GDADRO C[C@@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573705508 948401683 /nfs/dbraw/zinc/40/16/83/948401683.db2.gz FSJWPGHHDMJXAX-CJNGLKHVSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573716589 948501392 /nfs/dbraw/zinc/50/13/92/948501392.db2.gz IJUNAHOJOKJQAM-UONOGXRCSA-N 1 0 382.472 1.388 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[C@H]1CCCO1 ZINC001573720926 948535997 /nfs/dbraw/zinc/53/59/97/948535997.db2.gz SXQGZTYNQMWYSI-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CC1)[C@H]1CCCO1 ZINC001573721564 948539481 /nfs/dbraw/zinc/53/94/81/948539481.db2.gz YJQLAWVTJHUBLR-SWLSCSKDSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@@H](C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC001573721573 948539802 /nfs/dbraw/zinc/53/98/02/948539802.db2.gz YONDCRVKGPUBHZ-LLVKDONJSA-N 1 0 387.394 1.896 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCCO1 ZINC001573726372 948549143 /nfs/dbraw/zinc/54/91/43/948549143.db2.gz IUKDWIDRTYRWNW-PLYYQAHHSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCCO1 ZINC001573726368 948550213 /nfs/dbraw/zinc/55/02/13/948550213.db2.gz IUKDWIDRTYRWNW-LFVTVUPYSA-N 1 0 384.484 1.666 20 0 GDADRO CC(C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1O)=C1CCCC1 ZINC001573740364 948632501 /nfs/dbraw/zinc/63/25/01/948632501.db2.gz JGQHJRHOMXSEHD-NVXWUHKLSA-N 1 0 383.456 1.126 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573748831 948698546 /nfs/dbraw/zinc/69/85/46/948698546.db2.gz VHZZHDYXHIWDSY-VBNZEHGJSA-N 1 0 380.456 1.141 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573751904 948706742 /nfs/dbraw/zinc/70/67/42/948706742.db2.gz HPEPGTNMQKBVIL-NBMRYCAZSA-N 1 0 392.467 1.546 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)C(C)(F)F ZINC001573751994 948708086 /nfs/dbraw/zinc/70/80/86/948708086.db2.gz JRJHLNJNVJRMJP-RABLLNBGSA-N 1 0 376.411 1.704 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)n1cccc1 ZINC001573753408 948719817 /nfs/dbraw/zinc/71/98/17/948719817.db2.gz TXWOIIPOVRIGFW-BPLDGKMQSA-N 1 0 383.431 1.805 20 0 GDADRO CC(C)c1ccc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001574416516 948749108 /nfs/dbraw/zinc/74/91/08/948749108.db2.gz WKHYRCJZNPUINW-AWEZNQCLSA-N 1 0 378.440 1.529 20 0 GDADRO CC(F)(F)C1(C(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001575221778 948752607 /nfs/dbraw/zinc/75/26/07/948752607.db2.gz CJMDDDHIPSPVCQ-ZDUSSCGKSA-N 1 0 377.399 1.426 20 0 GDADRO CC(C)[C@H](F)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574078485 948756354 /nfs/dbraw/zinc/75/63/54/948756354.db2.gz DCWOOQDNVNHUQH-XEZPLFJOSA-N 1 0 378.427 1.984 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574916718 948787866 /nfs/dbraw/zinc/78/78/66/948787866.db2.gz ICIARIANRKOMTD-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)c1cccc(C[NH2+]C[C@H](C)N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574419951 948788952 /nfs/dbraw/zinc/78/89/52/948788952.db2.gz LMWPJMYCZZKPLC-ZDUSSCGKSA-N 1 0 382.472 1.964 20 0 GDADRO CC(C)c1ccccc1C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574420236 948798301 /nfs/dbraw/zinc/79/83/01/948798301.db2.gz RMEPDGSJPLPYNS-CYBMUJFWSA-N 1 0 381.440 1.010 20 0 GDADRO CC(C)c1cccc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001574420593 948803530 /nfs/dbraw/zinc/80/35/30/948803530.db2.gz ZMOKFCXOHYYZSV-JOCQHMNTSA-N 1 0 378.440 1.575 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1nccnc1-c1nn[nH]n1 ZINC001574918133 948838157 /nfs/dbraw/zinc/83/81/57/948838157.db2.gz GDRQCQGDPBXOMH-CQSZACIVSA-N 1 0 387.492 1.087 20 0 GDADRO C[C@@H](CNC(=O)CCCn1cccn1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574919029 948868609 /nfs/dbraw/zinc/86/86/09/948868609.db2.gz UPJLCNGWINNCHF-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1ncccc1-c1nn[nH]n1 ZINC001574919373 948874789 /nfs/dbraw/zinc/87/47/89/948874789.db2.gz XTIXHOUWDCICDH-HNNXBMFYSA-N 1 0 386.504 1.692 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920146 948887269 /nfs/dbraw/zinc/88/72/69/948887269.db2.gz DMHNXVLSHZETGD-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO CC(C)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001574088053 948906896 /nfs/dbraw/zinc/90/68/96/948906896.db2.gz ACYDAIFPHOVUTQ-OCABDXPQSA-N 1 0 384.459 1.844 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574921353 948919849 /nfs/dbraw/zinc/91/98/49/948919849.db2.gz VIXXQBWGCYEOKL-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574685979 948924559 /nfs/dbraw/zinc/92/45/59/948924559.db2.gz CKXXHHNIYLMRMC-AVGNSLFASA-N 1 0 390.467 1.438 20 0 GDADRO CC(C)c1nccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574432979 948946041 /nfs/dbraw/zinc/94/60/41/948946041.db2.gz RKDMSARNPKQNSZ-CQSZACIVSA-N 1 0 382.472 1.481 20 0 GDADRO CC(C)[C@H]1C[C@@H](C(=O)NCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001574089239 948947643 /nfs/dbraw/zinc/94/76/43/948947643.db2.gz FAQYEYQXUHKQKO-MAUKXSAKSA-N 1 0 386.500 1.866 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2)C(F)F ZINC001573772089 948953578 /nfs/dbraw/zinc/95/35/78/948953578.db2.gz QHIRSDDCVCBNKC-OLZOCXBDSA-N 1 0 391.426 1.814 20 0 GDADRO C[C@@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574687732 948957690 /nfs/dbraw/zinc/95/76/90/948957690.db2.gz QZWZEQALOLWMJF-AWEZNQCLSA-N 1 0 386.504 1.833 20 0 GDADRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001574089610 948964145 /nfs/dbraw/zinc/96/41/45/948964145.db2.gz GARZROWXSULVMO-RDJZCZTQSA-N 1 0 390.513 1.750 20 0 GDADRO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)C1CC1 ZINC001573774139 949001958 /nfs/dbraw/zinc/00/19/58/949001958.db2.gz RAEKXIVECJLQNP-IRXDYDNUSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001575502197 949016416 /nfs/dbraw/zinc/01/64/16/949016416.db2.gz IKRWFOPOWRJVSQ-KGLIPLIRSA-N 1 0 381.440 1.324 20 0 GDADRO CC(C)c1nnsc1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574440481 949027974 /nfs/dbraw/zinc/02/79/74/949027974.db2.gz PSTXUPMFNYRSJG-LLVKDONJSA-N 1 0 386.485 1.750 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001574692689 949036078 /nfs/dbraw/zinc/03/60/78/949036078.db2.gz ANGODRRXZALCCZ-PBHICJAKSA-N 1 0 386.504 1.641 20 0 GDADRO CC(C)c1nocc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574441218 949055120 /nfs/dbraw/zinc/05/51/20/949055120.db2.gz IBDQWPGHBQRQMH-AWEZNQCLSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575504782 949089896 /nfs/dbraw/zinc/08/98/96/949089896.db2.gz XVKPFLYJWCJGBU-NWDGAFQWSA-N 1 0 387.469 1.385 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573782744 949133556 /nfs/dbraw/zinc/13/35/56/949133556.db2.gz XFOYGPCTDRHXLT-INIZCTEOSA-N 1 0 383.500 1.432 20 0 GDADRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001574094480 949139735 /nfs/dbraw/zinc/13/97/35/949139735.db2.gz WKCKKAXCYUQJFF-HOTGVXAUSA-N 1 0 384.488 1.395 20 0 GDADRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001574095551 949152579 /nfs/dbraw/zinc/15/25/79/949152579.db2.gz YXRDNFCOLKYJCA-LSDHHAIUSA-N 1 0 391.501 1.145 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574934429 949160782 /nfs/dbraw/zinc/16/07/82/949160782.db2.gz HYGQGGZGAYFAIV-OAHLLOKOSA-N 1 0 380.452 1.882 20 0 GDADRO CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574447536 949161295 /nfs/dbraw/zinc/16/12/95/949161295.db2.gz RZSJPYKXEVDUBI-HAQNSBGRSA-N 1 0 382.428 1.416 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575514487 949168644 /nfs/dbraw/zinc/16/86/44/949168644.db2.gz CFYBCBDMBPKIMY-STQMWFEESA-N 1 0 381.444 1.140 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574698083 949175032 /nfs/dbraw/zinc/17/50/32/949175032.db2.gz FYQNAJNOEDBHRJ-NEPJUHHUSA-N 1 0 388.501 1.467 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574698086 949175586 /nfs/dbraw/zinc/17/55/86/949175586.db2.gz FYQNAJNOEDBHRJ-VXGBXAGGSA-N 1 0 388.501 1.467 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCC1 ZINC001573787293 949176600 /nfs/dbraw/zinc/17/66/00/949176600.db2.gz SGPDEIUPCDYWDG-GASCZTMLSA-N 1 0 384.488 1.585 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C1(c2ccccn2)CC1 ZINC001575253093 949177853 /nfs/dbraw/zinc/17/78/53/949177853.db2.gz IKURDYBUEGWDNE-OLZOCXBDSA-N 1 0 378.440 1.116 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574935637 949203132 /nfs/dbraw/zinc/20/31/32/949203132.db2.gz DVRWVEBOAVMQLU-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574698759 949208584 /nfs/dbraw/zinc/20/85/84/949208584.db2.gz OLUHRXXVESWZGK-KBPBESRZSA-N 1 0 382.472 1.405 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574699083 949231059 /nfs/dbraw/zinc/23/10/59/949231059.db2.gz SGXPASJORYHGEC-KBPBESRZSA-N 1 0 387.492 1.180 20 0 GDADRO CC(C)c1oncc1C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574451393 949232703 /nfs/dbraw/zinc/23/27/03/949232703.db2.gz OVHIZEUZHOABLE-HNNXBMFYSA-N 1 0 382.428 1.416 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC001575854464 949233285 /nfs/dbraw/zinc/23/32/85/949233285.db2.gz YEBTYLFBIPCLFX-CQSZACIVSA-N 1 0 385.472 1.293 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)Cc2cscn2)CC1 ZINC001575854674 949240720 /nfs/dbraw/zinc/24/07/20/949240720.db2.gz ZWGDYOILTLMXFG-UHFFFAOYSA-N 1 0 384.469 1.176 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001574452967 949272569 /nfs/dbraw/zinc/27/25/69/949272569.db2.gz SXPNXBBVXBSBOU-CYBMUJFWSA-N 1 0 381.444 1.295 20 0 GDADRO CC(C)n1cc(C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001574452954 949274862 /nfs/dbraw/zinc/27/48/62/949274862.db2.gz SMVPWJCNPCRNKE-CQSZACIVSA-N 1 0 381.444 1.178 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc2c(c1)CCO2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574941451 949303827 /nfs/dbraw/zinc/30/38/27/949303827.db2.gz QRLDTMJTVYOTCV-CQSZACIVSA-N 1 0 392.463 1.639 20 0 GDADRO CC(C)n1ccc(C(=O)N(C)CC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001574457178 949316216 /nfs/dbraw/zinc/31/62/16/949316216.db2.gz AXFSPCILWBWVJY-UHFFFAOYSA-N 1 0 388.501 1.910 20 0 GDADRO CC(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574109717 949324202 /nfs/dbraw/zinc/32/42/02/949324202.db2.gz ARVOEZJTNRFMCN-GUYCJALGSA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573796960 949345352 /nfs/dbraw/zinc/34/53/52/949345352.db2.gz YLWHHDMIHYZTRB-AWEZNQCLSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H]1CCC[C@@H](OCC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576154626 949348905 /nfs/dbraw/zinc/34/89/05/949348905.db2.gz QIQIVDIYSJLKPB-XJKSGUPXSA-N 1 0 390.463 1.807 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001574459362 949353435 /nfs/dbraw/zinc/35/34/35/949353435.db2.gz BWZWHJWRRGPDLH-NNUKFRKNSA-N 1 0 383.460 1.270 20 0 GDADRO C[C@@H](NC(=O)C1CC(F)(F)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260980 949368516 /nfs/dbraw/zinc/36/85/16/949368516.db2.gz ZCDYXSFGJVZMAW-LLVKDONJSA-N 1 0 376.411 1.849 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574460633 949378768 /nfs/dbraw/zinc/37/87/68/949378768.db2.gz UTXZPFFQGWSROC-XBXGTLAGSA-N 1 0 383.460 1.270 20 0 GDADRO CC(C)n1ccc(CC(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001574460629 949379848 /nfs/dbraw/zinc/37/98/48/949379848.db2.gz UPALAKNVOZMWQA-CQSZACIVSA-N 1 0 382.472 1.481 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C2CC2)n1 ZINC001574460653 949379978 /nfs/dbraw/zinc/37/99/78/949379978.db2.gz VWXZAUWVXNGPHQ-INIZCTEOSA-N 1 0 383.460 1.270 20 0 GDADRO C[C@H](NC(=O)C[C@@](C)(O)C1CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575263182 949394972 /nfs/dbraw/zinc/39/49/72/949394972.db2.gz FMLWNLIKQHTETB-RNODOKPDSA-N 1 0 384.484 1.354 20 0 GDADRO CC(C)n1cnc(C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001574464194 949401420 /nfs/dbraw/zinc/40/14/20/949401420.db2.gz JAKYYKDYCVVUMA-CYBMUJFWSA-N 1 0 381.444 1.035 20 0 GDADRO CC(C)n1cccc1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574464220 949402587 /nfs/dbraw/zinc/40/25/87/949402587.db2.gz GFVWWIQGHXXBQH-INIZCTEOSA-N 1 0 380.456 1.687 20 0 GDADRO CC(C)CC(=O)NC1(CO)CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001574114446 949411773 /nfs/dbraw/zinc/41/17/73/949411773.db2.gz UJVWVHXFTRSUCD-UHFFFAOYSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575533172 949412108 /nfs/dbraw/zinc/41/21/08/949412108.db2.gz DYCPPMMJHAUSCV-BFUOFWGJSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1F)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001575264182 949420429 /nfs/dbraw/zinc/42/04/29/949420429.db2.gz MJUKANULLIMPPW-MNOVXSKESA-N 1 0 376.440 1.048 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574705583 949429163 /nfs/dbraw/zinc/42/91/63/949429163.db2.gz IYYLSIGSIVINDK-FUJMWEONSA-N 1 0 390.463 1.493 20 0 GDADRO CC(C)(C)C(=O)NCC[NH+]1CCC(Nc2ncc(-c3nn[nH]n3)cc2F)CC1 ZINC001573802913 949431661 /nfs/dbraw/zinc/43/16/61/949431661.db2.gz LZGOAKQXEDWUCY-UHFFFAOYSA-N 1 0 390.467 1.439 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575535135 949440871 /nfs/dbraw/zinc/44/08/71/949440871.db2.gz SNZKIYKXGWGWOM-UZLBHIALSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H](CNC(=O)Cn1cc(Cl)cn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574947497 949447958 /nfs/dbraw/zinc/44/79/58/949447958.db2.gz BOZJCOJOMBYWEC-SNVBAGLBSA-N 1 0 392.826 1.150 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@@H](C)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC001574468003 949454401 /nfs/dbraw/zinc/45/44/01/949454401.db2.gz CTGNHCKDHIUSOY-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574707127 949462631 /nfs/dbraw/zinc/46/26/31/949462631.db2.gz NITHHTKQROOYGH-GXTWGEPZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCC1(F)F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574707233 949466188 /nfs/dbraw/zinc/46/61/88/949466188.db2.gz OEYIBIVKRVIXFQ-HZMBPMFUSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574117462 949469303 /nfs/dbraw/zinc/46/93/03/949469303.db2.gz VCJPKXNGGOJVGP-SFHVURJKSA-N 1 0 376.436 1.105 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCc2ccccc21 ZINC001575536396 949470066 /nfs/dbraw/zinc/47/00/66/949470066.db2.gz IBPFFVDDXJBUJY-YCRPNKLZSA-N 1 0 389.463 1.601 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574469446 949482263 /nfs/dbraw/zinc/48/22/63/949482263.db2.gz DLZMKRKWLICJLQ-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO CC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575537208 949489680 /nfs/dbraw/zinc/48/96/80/949489680.db2.gz TVZLJVCUFAVAOT-CYBMUJFWSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@H](CNC(=O)Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574949395 949495125 /nfs/dbraw/zinc/49/51/25/949495125.db2.gz VOMBRIVGOBRNEI-SNVBAGLBSA-N 1 0 392.826 1.150 20 0 GDADRO CC(C)n1nccc1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574470417 949498970 /nfs/dbraw/zinc/49/89/70/949498970.db2.gz PQWAPHAZYZBPIU-UHFFFAOYSA-N 1 0 380.456 1.506 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575538898 949534564 /nfs/dbraw/zinc/53/45/64/949534564.db2.gz KOCKGYLWEBDLKU-YVEFUNNKSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@@H](NC(=O)C[C@@H]1CCOC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575269163 949542098 /nfs/dbraw/zinc/54/20/98/949542098.db2.gz RTZLQTDLUDAUCL-OCCSQVGLSA-N 1 0 388.447 1.369 20 0 GDADRO CC(C)CC(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001574123455 949560544 /nfs/dbraw/zinc/56/05/44/949560544.db2.gz ZOLOWODSIRGTRW-UHFFFAOYSA-N 1 0 385.516 1.583 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711905 949560658 /nfs/dbraw/zinc/56/06/58/949560658.db2.gz NVXXLQLOYIJATG-KBXCAEBGSA-N 1 0 391.479 1.613 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574955036 949563909 /nfs/dbraw/zinc/56/39/09/949563909.db2.gz AJYZXSZHXSETBF-XTENKEOPSA-N 1 0 382.468 1.227 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cnccn1 ZINC001573810645 949576808 /nfs/dbraw/zinc/57/68/08/949576808.db2.gz BIJMCUKDWGXFGJ-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574956671 949585913 /nfs/dbraw/zinc/58/59/13/949585913.db2.gz LTBYBAUHADLMBI-OUCADQQQSA-N 1 0 377.518 1.205 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cn[nH]c1 ZINC001573811536 949601670 /nfs/dbraw/zinc/60/16/70/949601670.db2.gz LFIAVUIGGYVUDI-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574713489 949603139 /nfs/dbraw/zinc/60/31/39/949603139.db2.gz XRMLZESUZNBMBY-KBXCAEBGSA-N 1 0 392.463 1.979 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+](C)C)C1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575270882 949605920 /nfs/dbraw/zinc/60/59/20/949605920.db2.gz GQKOQSKPMWVCQC-CYBMUJFWSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576167565 949607840 /nfs/dbraw/zinc/60/78/40/949607840.db2.gz QQEATHCGBZZPHD-YOEHRIQHSA-N 1 0 389.504 1.794 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCO1 ZINC001573812034 949612492 /nfs/dbraw/zinc/61/24/92/949612492.db2.gz PTGDBDGUTOHMKU-CVEARBPZSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCO1 ZINC001573812038 949614875 /nfs/dbraw/zinc/61/48/75/949614875.db2.gz PTGDBDGUTOHMKU-JKSUJKDBSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1nnc[nH]1 ZINC001573812300 949616150 /nfs/dbraw/zinc/61/61/50/949616150.db2.gz REDQKKPOKGXGQO-ZDUSSCGKSA-N 1 0 387.423 1.058 20 0 GDADRO C[C@]1(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCOC1 ZINC001575546966 949617157 /nfs/dbraw/zinc/61/71/57/949617157.db2.gz UAWNIUHHJQPSQR-UZLBHIALSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574713907 949618352 /nfs/dbraw/zinc/61/83/52/949618352.db2.gz ZFKMTPKTXWUKBI-KUHUBIRLSA-N 1 0 392.463 1.807 20 0 GDADRO C[C@@H](NC(=O)CC[C@H]1CCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575271351 949619051 /nfs/dbraw/zinc/61/90/51/949619051.db2.gz JSGJVMYIOYVUMY-OLZOCXBDSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001574476746 949620601 /nfs/dbraw/zinc/62/06/01/949620601.db2.gz JIVSZDJWJUXFTI-IUODEOHRSA-N 1 0 390.463 1.351 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(F)cn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573813329 949630550 /nfs/dbraw/zinc/63/05/50/949630550.db2.gz YHALHQRYVLDBBB-HNNXBMFYSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574714572 949633540 /nfs/dbraw/zinc/63/35/40/949633540.db2.gz FNOJRQBRYLHKAQ-TZMCWYRMSA-N 1 0 376.436 1.511 20 0 GDADRO CC(C)CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574129734 949643100 /nfs/dbraw/zinc/64/31/00/949643100.db2.gz WQTJRFVYXCULGJ-AWEZNQCLSA-N 1 0 392.479 1.645 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574957990 949647026 /nfs/dbraw/zinc/64/70/26/949647026.db2.gz KNGMHTZATZWYJQ-JIRONKKISA-N 1 0 388.447 1.415 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2=COCCO2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575877453 949667930 /nfs/dbraw/zinc/66/79/30/949667930.db2.gz ZUGKDMRLZUBNPR-XJKSGUPXSA-N 1 0 384.440 1.224 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574958466 949676246 /nfs/dbraw/zinc/67/62/46/949676246.db2.gz KEOFBMRDSPJSMW-DOPJRALCSA-N 1 0 394.483 1.340 20 0 GDADRO C[C@@H]1[C@H](NC(=O)COCC2CC2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575879720 949687995 /nfs/dbraw/zinc/68/79/95/949687995.db2.gz RGMMGKDEYJNNCR-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO CC1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOCC1 ZINC001575553609 949688565 /nfs/dbraw/zinc/68/85/65/949688565.db2.gz NCBWLHUDBYUQQF-LBPRGKRZSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574958787 949693935 /nfs/dbraw/zinc/69/39/35/949693935.db2.gz NKYMCQIPQGXSGN-VHDGCEQUSA-N 1 0 378.440 1.047 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716896 949714223 /nfs/dbraw/zinc/71/42/23/949714223.db2.gz ROWROXNVEQCTLW-XJKSGUPXSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1csc(=O)[nH]1 ZINC001573818099 949719420 /nfs/dbraw/zinc/71/94/20/949719420.db2.gz GCYSXXRMXHOHBS-GFCCVEGCSA-N 1 0 388.457 1.102 20 0 GDADRO C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C[NH2+]Cc1cnns1 ZINC001576170502 949719607 /nfs/dbraw/zinc/71/96/07/949719607.db2.gz LOHADJLHJKVXAH-HZMBPMFUSA-N 1 0 387.473 1.077 20 0 GDADRO C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)CCOC1 ZINC001575557695 949726769 /nfs/dbraw/zinc/72/67/69/949726769.db2.gz LKLODSQJRHBNMB-WRWLIDTKSA-N 1 0 382.468 1.326 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC001575881932 949744552 /nfs/dbraw/zinc/74/45/52/949744552.db2.gz DEAFJAIRCDTPRL-GWCFXTLKSA-N 1 0 379.415 1.823 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574480418 949748203 /nfs/dbraw/zinc/74/82/03/949748203.db2.gz IGYIEMYBERHLMQ-KBPBESRZSA-N 1 0 381.440 1.731 20 0 GDADRO C[C@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C2CC2)CCOC1 ZINC001575559614 949760628 /nfs/dbraw/zinc/76/06/28/949760628.db2.gz WUZLFCAARUTFLQ-APWZRJJASA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](NC(=O)CCc1ccon1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575278246 949765450 /nfs/dbraw/zinc/76/54/50/949765450.db2.gz ULDAVULWLJVOOO-ZDUSSCGKSA-N 1 0 381.440 1.424 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574718251 949773849 /nfs/dbraw/zinc/77/38/49/949773849.db2.gz ULOOFMDQOUQQFF-STQMWFEESA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574138242 949785566 /nfs/dbraw/zinc/78/55/66/949785566.db2.gz BPJLSNMQTFGYLE-UKRRQHHQSA-N 1 0 375.477 1.308 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ccccn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574720720 949798493 /nfs/dbraw/zinc/79/84/93/949798493.db2.gz GGBUWITYOZLGMQ-HNNXBMFYSA-N 1 0 379.468 1.831 20 0 GDADRO CC(C)C[C@H](C)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574138996 949807045 /nfs/dbraw/zinc/80/70/45/949807045.db2.gz GYOCJECUTFCOFZ-LIRRHRJNSA-N 1 0 389.504 1.698 20 0 GDADRO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ncccc1-c1nn[nH]n1 ZINC001574721475 949823151 /nfs/dbraw/zinc/82/31/51/949823151.db2.gz MBHRACUDEVBQFZ-HNNXBMFYSA-N 1 0 386.504 1.787 20 0 GDADRO C[C@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574965862 949824601 /nfs/dbraw/zinc/82/46/01/949824601.db2.gz NPWPUNHNZDIPLE-SECBINFHSA-N 1 0 391.357 1.934 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001576172915 949825976 /nfs/dbraw/zinc/82/59/76/949825976.db2.gz ZIURVYCLRNHIBS-HIFRSBDPSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1F)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001575282510 949838396 /nfs/dbraw/zinc/83/83/96/949838396.db2.gz CMDNNXNRMOSVSX-WDEREUQCSA-N 1 0 376.440 1.190 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ncccn2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576177847 949859320 /nfs/dbraw/zinc/85/93/20/949859320.db2.gz CGGVLTCQPHXSHE-YOEHRIQHSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H](CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574484198 949866300 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HZJMLFDWKDJRRU-GWCFXTLKSA-N 1 0 388.457 1.342 20 0 GDADRO C[C@@H]1CCN(C(=O)Cc2cccnc2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180523 949959132 /nfs/dbraw/zinc/95/91/32/949959132.db2.gz DWYNVZKIRJIJEX-ZBFHGGJFSA-N 1 0 392.467 1.218 20 0 GDADRO CC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCCCC1 ZINC001575571961 949965676 /nfs/dbraw/zinc/96/56/76/949965676.db2.gz BRDWDOFNDKGCOR-CQSZACIVSA-N 1 0 390.463 1.543 20 0 GDADRO CC1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCOCC1 ZINC001575572887 949984309 /nfs/dbraw/zinc/98/43/09/949984309.db2.gz IWPAOAAQGBONSS-AWEZNQCLSA-N 1 0 390.513 1.729 20 0 GDADRO CC1(C(=O)NCC2([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CCOCC2)CC1 ZINC001575574807 950031281 /nfs/dbraw/zinc/03/12/81/950031281.db2.gz ABYVMXZJHXFKMY-UHFFFAOYSA-N 1 0 388.447 1.561 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ncccn2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576182061 950036092 /nfs/dbraw/zinc/03/60/92/950036092.db2.gz XRPJRWKVQPOZKL-WMLDXEAASA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@]1(C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)CCCOC1 ZINC001575574912 950035872 /nfs/dbraw/zinc/03/58/72/950035872.db2.gz BSCYMEQZGBQEAM-GOSISDBHSA-N 1 0 388.447 1.561 20 0 GDADRO C[C@]1(C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)CCCOC1 ZINC001575574913 950037317 /nfs/dbraw/zinc/03/73/17/950037317.db2.gz BSCYMEQZGBQEAM-SFHVURJKSA-N 1 0 388.447 1.561 20 0 GDADRO C[C@@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CCC2)CCOC1 ZINC001575576054 950061749 /nfs/dbraw/zinc/06/17/49/950061749.db2.gz NCRDNNPAMGZBOD-GOSISDBHSA-N 1 0 388.447 1.561 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCCO1 ZINC001574151206 950063505 /nfs/dbraw/zinc/06/35/05/950063505.db2.gz NKOXCLQZHIMRAL-DOTOQJQBSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cnon1 ZINC001574151318 950069984 /nfs/dbraw/zinc/06/99/84/950069984.db2.gz PDMXYBWFBHKTTM-GFCCVEGCSA-N 1 0 388.407 1.323 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CC(C)(C)O 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/nfs/dbraw/zinc/09/10/70/950091070.db2.gz SARYGDUFCMLEEM-CXAGYDPISA-N 1 0 378.440 1.431 20 0 GDADRO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574152342 950097213 /nfs/dbraw/zinc/09/72/13/950097213.db2.gz AFTWPOXJKQCMME-VNQPRFMTSA-N 1 0 386.504 1.545 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1C[NH2+]Cc1nccs1 ZINC001576183743 950102029 /nfs/dbraw/zinc/10/20/29/950102029.db2.gz UJBWIEZHYSHOJZ-BXUZGUMPSA-N 1 0 386.485 1.682 20 0 GDADRO CC1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC001575582195 950104561 /nfs/dbraw/zinc/10/45/61/950104561.db2.gz BDRPTMIWFYNSML-KRWDZBQOSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[C@H]1CCOC1 ZINC001574153185 950130162 /nfs/dbraw/zinc/13/01/62/950130162.db2.gz OVQHIZFBGLQCJF-WBVHZDCISA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576184658 950136445 /nfs/dbraw/zinc/13/64/45/950136445.db2.gz WWHJOVXRCSJJAI-AAEUAGOBSA-N 1 0 391.426 1.625 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574734699 950137180 /nfs/dbraw/zinc/13/71/80/950137180.db2.gz OLNDJVBXFADBLJ-APHBMKBZSA-N 1 0 380.456 1.330 20 0 GDADRO C[C@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575584006 950158835 /nfs/dbraw/zinc/15/88/35/950158835.db2.gz OGKNNZRXAHZSNQ-KJBLDROHSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]nc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574982329 950159390 /nfs/dbraw/zinc/15/93/90/950159390.db2.gz BKJCYRSEMATBRO-SNVBAGLBSA-N 1 0 384.419 1.514 20 0 GDADRO C[C@@H](CC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001574494497 950166421 /nfs/dbraw/zinc/16/64/21/950166421.db2.gz ZRYRGRSSGUHMPQ-GUYCJALGSA-N 1 0 385.472 1.552 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CCCOC1 ZINC001575584781 950176473 /nfs/dbraw/zinc/17/64/73/950176473.db2.gz SHWRDERQAWAQBF-OXQOHEQNSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1cnc[nH]1 ZINC001575900139 950191503 /nfs/dbraw/zinc/19/15/03/950191503.db2.gz COZVMALXYIDPNS-BDJLRTHQSA-N 1 0 384.419 1.051 20 0 GDADRO CC(C)Oc1ccccc1C[NH2+][C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574983261 950209629 /nfs/dbraw/zinc/20/96/29/950209629.db2.gz LPZCNCZSSJHEPE-CYBMUJFWSA-N 1 0 383.456 1.890 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575586037 950212605 /nfs/dbraw/zinc/21/26/05/950212605.db2.gz GGCVUIDYXVKYEG-FOIQADDNSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001574739942 950216820 /nfs/dbraw/zinc/21/68/20/950216820.db2.gz ZWUKUFNSCWZIDT-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CCN2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192241 950232367 /nfs/dbraw/zinc/23/23/67/950232367.db2.gz LCDALJBCOFKICP-RDJZCZTQSA-N 1 0 383.500 1.241 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901699 950236991 /nfs/dbraw/zinc/23/69/91/950236991.db2.gz PXKLDJJGXNAPAC-BONVTDFDSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ccnn1C ZINC001575902491 950258779 /nfs/dbraw/zinc/25/87/79/950258779.db2.gz VROGRTFUVJSRDJ-NHYWBVRUSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576192740 950263144 /nfs/dbraw/zinc/26/31/44/950263144.db2.gz QPURLYYXMRNRPG-AALSBFMBSA-N 1 0 381.484 1.626 20 0 GDADRO CC1(C(=O)NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOCC1 ZINC001575591996 950273531 /nfs/dbraw/zinc/27/35/31/950273531.db2.gz ACUVAQQRBVJWRX-UHFFFAOYSA-N 1 0 376.436 1.418 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCn1ccnc1 ZINC001575904684 950284048 /nfs/dbraw/zinc/28/40/48/950284048.db2.gz AHFRRWQMILMRGP-RHSMWYFYSA-N 1 0 380.456 1.233 20 0 GDADRO CC(C)C[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574158541 950288755 /nfs/dbraw/zinc/28/87/55/950288755.db2.gz CHBYKCMQRJXZIU-GJZGRUSLSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906047 950303569 /nfs/dbraw/zinc/30/35/69/950303569.db2.gz GIOKINOGPQODRY-JOYOIKCWSA-N 1 0 375.433 1.788 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccncn1 ZINC001575905785 950303704 /nfs/dbraw/zinc/30/37/04/950303704.db2.gz FMBXTMGDYQOIFH-ABAIWWIYSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1csnn1 ZINC001575905997 950303812 /nfs/dbraw/zinc/30/38/12/950303812.db2.gz FPVUASAJYYHXAA-NOZJJQNGSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]nc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574742761 950305731 /nfs/dbraw/zinc/30/57/31/950305731.db2.gz PWISKDSBJKFOCO-GFCCVEGCSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ncccc1F ZINC001575906346 950312456 /nfs/dbraw/zinc/31/24/56/950312456.db2.gz HQBPQUJVIDVRQF-ZWNOBZJWSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ccsn1 ZINC001575906991 950326296 /nfs/dbraw/zinc/32/62/96/950326296.db2.gz LNDYAGMQLSRKRM-GXSJLCMTSA-N 1 0 375.483 1.778 20 0 GDADRO C[C@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576194017 950327034 /nfs/dbraw/zinc/32/70/34/950327034.db2.gz XMIIVPOCVYGAOJ-ZFWWWQNUSA-N 1 0 378.440 1.289 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575907345 950328798 /nfs/dbraw/zinc/32/87/98/950328798.db2.gz NJTWWVRKAMJLLP-BONVTDFDSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cccnc1 ZINC001575907231 950331300 /nfs/dbraw/zinc/33/13/00/950331300.db2.gz NCMCZJKOWVLWMW-YVEFUNNKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001576196206 950350788 /nfs/dbraw/zinc/35/07/88/950350788.db2.gz ANRFXBSFEZBRNC-HOCLYGCPSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cccnn1 ZINC001575908294 950358426 /nfs/dbraw/zinc/35/84/26/950358426.db2.gz UCGGNANQINFSKB-NHYWBVRUSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccn(C)n1 ZINC001575908875 950382272 /nfs/dbraw/zinc/38/22/72/950382272.db2.gz WPNCINBRZNCBGZ-XHDPSFHLSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cc(Cl)no1 ZINC001575909490 950398416 /nfs/dbraw/zinc/39/84/16/950398416.db2.gz GPTYXDAZPPKDRM-GWCFXTLKSA-N 1 0 387.831 1.901 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C)n1 ZINC001575909809 950410725 /nfs/dbraw/zinc/41/07/25/950410725.db2.gz IIAQJAWMXAUYRQ-SWLSCSKDSA-N 1 0 383.460 1.365 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCn1cccc1 ZINC001575910062 950411764 /nfs/dbraw/zinc/41/17/64/950411764.db2.gz JHGIYEGZJHPSQY-YJBOKZPZSA-N 1 0 379.468 1.838 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001576198901 950412606 /nfs/dbraw/zinc/41/26/06/950412606.db2.gz WITZCXAGLBPQAB-HOCLYGCPSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575910068 950414241 /nfs/dbraw/zinc/41/42/41/950414241.db2.gz JIWASKUFHNMOOG-IUODEOHRSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[nH]n4)nc3)C2)C1 ZINC001576198832 950414186 /nfs/dbraw/zinc/41/41/86/950414186.db2.gz VQXHQUYUVAYHFE-GOEBONIOSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(F)c2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575910405 950418667 /nfs/dbraw/zinc/41/86/67/950418667.db2.gz KUAGLLYZLIPRAR-HZMBPMFUSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001574747856 950420674 /nfs/dbraw/zinc/42/06/74/950420674.db2.gz ZCNPGCFZSAVDFD-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO CC(C)(C)OC(=O)NC1CC[NH+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573860337 950422863 /nfs/dbraw/zinc/42/28/63/950422863.db2.gz GKXKAYOMSQANPM-INIZCTEOSA-N 1 0 388.472 1.889 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cnc(Cl)s2)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575910620 950425077 /nfs/dbraw/zinc/42/50/77/950425077.db2.gz MNMARYVAMGWEDK-PSASIEDQSA-N 1 0 392.876 1.698 20 0 GDADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNc2nnccc2-c2nn[nH]n2)CC1 ZINC001573861085 950441303 /nfs/dbraw/zinc/44/13/03/950441303.db2.gz SDQCANDCDABNMX-UHFFFAOYSA-N 1 0 389.464 1.058 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNc3ccc(-c4nn[nH]n4)cn3)[C@H](C)C2)C1 ZINC001576204367 950463096 /nfs/dbraw/zinc/46/30/96/950463096.db2.gz OTHWOUMYMVZBCF-IIAWOOMASA-N 1 0 384.488 1.110 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(Cl)no1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574751660 950465067 /nfs/dbraw/zinc/46/50/67/950465067.db2.gz PZASBCHWIXIGFP-JTQLQIEISA-N 1 0 375.820 1.758 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccc1O ZINC001575912984 950473594 /nfs/dbraw/zinc/47/35/94/950473594.db2.gz SJICUTZJRZVDQF-WFASDCNBSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576204774 950478231 /nfs/dbraw/zinc/47/82/31/950478231.db2.gz CBAZQCDAZZZHDL-LBPRGKRZSA-N 1 0 376.440 1.049 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc[nH]c(=O)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574752401 950482360 /nfs/dbraw/zinc/48/23/60/950482360.db2.gz WNGGNJYEXMFOJD-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO CC(C)CCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574167575 950485221 /nfs/dbraw/zinc/48/52/21/950485221.db2.gz FMDHEKVWFDELOA-OAHLLOKOSA-N 1 0 378.452 1.351 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573866376 950497506 /nfs/dbraw/zinc/49/75/06/950497506.db2.gz ACFGYMPMMYEKBQ-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001576205223 950503090 /nfs/dbraw/zinc/50/30/90/950503090.db2.gz HKRALEPOOFEHNQ-OLZOCXBDSA-N 1 0 375.452 1.289 20 0 GDADRO C[C@H](CNC(=O)c1cc(Br)co1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574995659 950509027 /nfs/dbraw/zinc/50/90/27/950509027.db2.gz GENHKMMYDLHUSN-MRVPVSSYSA-N 1 0 392.217 1.270 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575608758 950516392 /nfs/dbraw/zinc/51/63/92/950516392.db2.gz RINPHZKZGSWQOM-PJIJBLCYSA-N 1 0 388.447 1.417 20 0 GDADRO CC(C)[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1ncccc1-c1nn[nH]n1 ZINC001576205629 950528134 /nfs/dbraw/zinc/52/81/34/950528134.db2.gz LEMGPTPAPUFMAK-MRXNPFEDSA-N 1 0 386.504 1.546 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573869681 950572567 /nfs/dbraw/zinc/57/25/67/950572567.db2.gz BACSEQQVMNBDHO-CQSZACIVSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001574756359 950602604 /nfs/dbraw/zinc/60/26/04/950602604.db2.gz ZFQIDZTZQISGHJ-NSHDSACASA-N 1 0 389.410 1.766 20 0 GDADRO C[C@@H]1CN(c2cccc(F)c2-c2nn[nH]n2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576208733 950612736 /nfs/dbraw/zinc/61/27/36/950612736.db2.gz VEYCKVFBTZNCID-GZBFAFLISA-N 1 0 387.463 1.289 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1ccnc1 ZINC001574515146 950622657 /nfs/dbraw/zinc/62/26/57/950622657.db2.gz AHFCVIGSDGFQCT-XYPHTWIQSA-N 1 0 380.456 1.451 20 0 GDADRO C[C@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574758960 950623901 /nfs/dbraw/zinc/62/39/01/950623901.db2.gz IJJZTPBOUANLPR-SNVBAGLBSA-N 1 0 388.382 1.589 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1ccnc1 ZINC001574517773 950645900 /nfs/dbraw/zinc/64/59/00/950645900.db2.gz LYFCRVKWLJDJIN-WKCGWZECSA-N 1 0 392.467 1.261 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574518257 950651524 /nfs/dbraw/zinc/65/15/24/950651524.db2.gz MWSJYOGDDNIBQC-OWIUFQIYSA-N 1 0 384.484 1.809 20 0 GDADRO CC1(C)CC(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001575624077 950661684 /nfs/dbraw/zinc/66/16/84/950661684.db2.gz FTNAUSWNFFAPTA-CYBMUJFWSA-N 1 0 390.513 1.681 20 0 GDADRO CC(C)n1cnc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001574760901 950684027 /nfs/dbraw/zinc/68/40/27/950684027.db2.gz OAEMWZFSXUFJEO-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574763449 950713308 /nfs/dbraw/zinc/71/33/08/950713308.db2.gz BCRZICOWFDHAOC-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575926960 950727069 /nfs/dbraw/zinc/72/70/69/950727069.db2.gz MZKWFWYILQEXEJ-WBMJQRKESA-N 1 0 381.415 1.467 20 0 GDADRO CC1(C)CC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001575629062 950731620 /nfs/dbraw/zinc/73/16/20/950731620.db2.gz JVZGRLLBXBEGDH-DLBZAZTESA-N 1 0 384.484 1.354 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1ccc(-c2nn[nH]n2)nc1 ZINC001576216595 950736160 /nfs/dbraw/zinc/73/61/60/950736160.db2.gz DUJHHFMTJYFYMD-CZUORRHYSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574764727 950756071 /nfs/dbraw/zinc/75/60/71/950756071.db2.gz XHXNBNLWRBOXIM-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnns1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574764681 950758462 /nfs/dbraw/zinc/75/84/62/950758462.db2.gz WFQQOCBHBDHOEP-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1nccs1 ZINC001575928103 950772403 /nfs/dbraw/zinc/77/24/03/950772403.db2.gz YPSSYRLNMNWIDD-WCQYABFASA-N 1 0 384.469 1.174 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1cccn1 ZINC001574521432 950780447 /nfs/dbraw/zinc/78/04/47/950780447.db2.gz GCEQMVNEWVXALA-STQMWFEESA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1ncc[nH]1 ZINC001574521763 950782273 /nfs/dbraw/zinc/78/22/73/950782273.db2.gz HMBNKLHDXVIHFH-VXGBXAGGSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[N@H+](C)C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765519 950792541 /nfs/dbraw/zinc/79/25/41/950792541.db2.gz DGLCIKHUHHSQBS-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C1=CCOCC1 ZINC001574522555 950797063 /nfs/dbraw/zinc/79/70/63/950797063.db2.gz KWCXXJPNYYPGQB-CHWSQXEVSA-N 1 0 388.447 1.725 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cccnc1 ZINC001574522560 950798139 /nfs/dbraw/zinc/79/81/39/950798139.db2.gz KWOKCGIYCSAPOH-GJZGRUSLSA-N 1 0 379.468 1.877 20 0 GDADRO C[C@@H](CN(C)C(=O)c1csnn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574766863 950830997 /nfs/dbraw/zinc/83/09/97/950830997.db2.gz NIIMFNCBFPBPBK-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576220564 950834494 /nfs/dbraw/zinc/83/44/94/950834494.db2.gz RMYPZZLWKCJTMW-SMDDNHRTSA-N 1 0 376.411 1.849 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnoc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574767267 950840101 /nfs/dbraw/zinc/84/01/01/950840101.db2.gz PATUTRUOZAMTQV-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCCO[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575639217 950855785 /nfs/dbraw/zinc/85/57/85/950855785.db2.gz PUKXEENNNZYHBK-AWEZNQCLSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC1(O)CCC1 ZINC001574524472 950860998 /nfs/dbraw/zinc/86/09/98/950860998.db2.gz WWWGCWIZJFGLTN-CHWSQXEVSA-N 1 0 390.463 1.684 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cn(C)cn1 ZINC001574527535 950891588 /nfs/dbraw/zinc/89/15/88/950891588.db2.gz CZBTVKUBZAKJNN-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cn(C)cn1 ZINC001574527534 950892891 /nfs/dbraw/zinc/89/28/91/950892891.db2.gz CZBTVKUBZAKJNN-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cn(C)cn1 ZINC001574527649 950899729 /nfs/dbraw/zinc/89/97/29/950899729.db2.gz FKVKPNIRIDAWRT-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1csnn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574527891 950914475 /nfs/dbraw/zinc/91/44/75/950914475.db2.gz IIOZZSWMUCYAKV-ZJUUUORDSA-N 1 0 390.448 1.544 20 0 GDADRO CC(C)(C)n1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 ZINC001573893926 950915137 /nfs/dbraw/zinc/91/51/37/950915137.db2.gz CJEMDGGXPGNTEB-OKILXGFUSA-N 1 0 383.460 1.197 20 0 GDADRO C[C@H](C[N@H+](C)CCCCC1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771547 950928936 /nfs/dbraw/zinc/92/89/36/950928936.db2.gz GCQKOKRFSNUABY-CQSZACIVSA-N 1 0 389.504 1.842 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576228323 950940716 /nfs/dbraw/zinc/94/07/16/950940716.db2.gz HAFVNRDMWJSZSR-ZIAGYGMSSA-N 1 0 385.472 1.007 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575642413 950941097 /nfs/dbraw/zinc/94/10/97/950941097.db2.gz GPSMAHAFGHMOCC-IAGOWNOFSA-N 1 0 384.484 1.620 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575642417 950941746 /nfs/dbraw/zinc/94/17/46/950941746.db2.gz GPSMAHAFGHMOCC-SJORKVTESA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574772129 950958721 /nfs/dbraw/zinc/95/87/21/950958721.db2.gz PSMHHEJQSAZCNZ-SUMWQHHRSA-N 1 0 389.479 1.427 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cccnn1 ZINC001574530207 950974658 /nfs/dbraw/zinc/97/46/58/950974658.db2.gz TZYKRPUSTBIGGX-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO CC(C)c1ccc(C(=O)NC[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001575017109 950976888 /nfs/dbraw/zinc/97/68/88/950976888.db2.gz ADCXOHVSXMXHFB-CYBMUJFWSA-N 1 0 380.456 1.680 20 0 GDADRO C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576229876 950983415 /nfs/dbraw/zinc/98/34/15/950983415.db2.gz ONJGOCSTBWDRJR-DZGCQCFKSA-N 1 0 385.472 1.007 20 0 GDADRO CC(C)CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001574195437 950983393 /nfs/dbraw/zinc/98/33/93/950983393.db2.gz OMOXMQYMFUSFLN-OAHLLOKOSA-N 1 0 387.488 1.594 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575644329 950984893 /nfs/dbraw/zinc/98/48/93/950984893.db2.gz SONKYDGZASKESN-UZLBHIALSA-N 1 0 384.484 1.356 20 0 GDADRO CC(C)CCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574195655 951001026 /nfs/dbraw/zinc/00/10/26/951001026.db2.gz VUXPGAFPTZGYHF-SFHVURJKSA-N 1 0 375.477 1.452 20 0 GDADRO CC(C)n1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001574530946 951006966 /nfs/dbraw/zinc/00/69/66/951006966.db2.gz DXVFIDJRKLDKAM-NEPJUHHUSA-N 1 0 386.464 1.054 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Br)o1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575019853 951048358 /nfs/dbraw/zinc/04/83/58/951048358.db2.gz WKTJDVJJYHAKJU-QMMMGPOBSA-N 1 0 392.217 1.270 20 0 GDADRO C[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575020067 951051883 /nfs/dbraw/zinc/05/18/83/951051883.db2.gz XDYAVSLGYBQZTM-SECBINFHSA-N 1 0 392.345 1.328 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H](O)c1ccccc1Cl ZINC001575020237 951054542 /nfs/dbraw/zinc/05/45/42/951054542.db2.gz XMLYUGCKGDIWSS-MEBBXXQBSA-N 1 0 389.847 1.290 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575024328 951098936 /nfs/dbraw/zinc/09/89/36/951098936.db2.gz AXUGBJUKFNNPLB-NSHDSACASA-N 1 0 386.485 1.297 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2ncnn21)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575029920 951191396 /nfs/dbraw/zinc/19/13/96/951191396.db2.gz YSKBOQPENFOUSI-ZDUSSCGKSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1Cl)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575041772 951349541 /nfs/dbraw/zinc/34/95/41/951349541.db2.gz BWTMTKKLNKCFKX-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(Cl)n1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575044791 951417999 /nfs/dbraw/zinc/41/79/99/951417999.db2.gz VCJQMJCDCOGNHK-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044926 951421047 /nfs/dbraw/zinc/42/10/47/951421047.db2.gz XQPCVPJANCMGMK-JTQLQIEISA-N 1 0 386.485 1.668 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575046714 951444852 /nfs/dbraw/zinc/44/48/52/951444852.db2.gz RIJLEIWNSANNJS-VIFPVBQESA-N 1 0 377.861 1.885 20 0 GDADRO C[C@H](CNC(=O)c1cncnc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575047197 951454699 /nfs/dbraw/zinc/45/46/99/951454699.db2.gz ZEAVCBZYIVOURY-GFCCVEGCSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575052394 951464337 /nfs/dbraw/zinc/46/43/37/951464337.db2.gz IEVJELNHJWWIGD-LBPRGKRZSA-N 1 0 381.444 1.083 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2c1CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575055372 951504309 /nfs/dbraw/zinc/50/43/09/951504309.db2.gz RWBABGFEVCJEPZ-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@@H](CNC(=O)c1cnoc1C1CC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575055498 951507623 /nfs/dbraw/zinc/50/76/23/951507623.db2.gz VVANBZDTPPMKBD-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1cnoc1C1CC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575055569 951510288 /nfs/dbraw/zinc/51/02/88/951510288.db2.gz XJAMWZIQWNIXJA-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1coc(C2CC2)n1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575055997 951515972 /nfs/dbraw/zinc/51/59/72/951515972.db2.gz DFMVTLNIXFCLHG-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1csc(=O)[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575057732 951530237 /nfs/dbraw/zinc/53/02/37/951530237.db2.gz PVXXBOLJJSJSKM-MRVPVSSYSA-N 1 0 379.471 1.341 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575060696 951546415 /nfs/dbraw/zinc/54/64/15/951546415.db2.gz DIGLMRVIKREAFX-JTQLQIEISA-N 1 0 384.419 1.126 20 0 GDADRO C[C@@H](CNC(=O)c1ncc(Cl)s1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575062795 951571775 /nfs/dbraw/zinc/57/17/75/951571775.db2.gz YMZSRJFOLZSIFO-QMMMGPOBSA-N 1 0 378.849 1.626 20 0 GDADRO C[C@@H](CNC(=O)c1noc2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067253 951606046 /nfs/dbraw/zinc/60/60/46/951606046.db2.gz PNGZSBVVMSDWHA-LBPRGKRZSA-N 1 0 381.440 1.642 20 0 GDADRO C[C@H](CNC(=O)c1noc2c1CCCCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067443 951612211 /nfs/dbraw/zinc/61/22/11/951612211.db2.gz SOJDBTLNYASCOM-LLVKDONJSA-N 1 0 382.428 1.171 20 0 GDADRO C[C@@H](CNC(=O)c1ncc(F)cc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575068245 951631495 /nfs/dbraw/zinc/63/14/95/951631495.db2.gz YPCCFQYDHRQLMG-VIFPVBQESA-N 1 0 391.357 1.587 20 0 GDADRO C[C@@H](CNC(=O)c1snnc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575069616 951645862 /nfs/dbraw/zinc/64/58/62/951645862.db2.gz LCJFIXDBSVDUTN-JTQLQIEISA-N 1 0 384.469 1.504 20 0 GDADRO C[C@@H](CNC(=O)C1(CF)CCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077422 951667761 /nfs/dbraw/zinc/66/77/61/951667761.db2.gz CMZVKYXJXQPGCN-GFCCVEGCSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077500 951669687 /nfs/dbraw/zinc/66/96/87/951669687.db2.gz FQORKXVWGBTWNZ-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CNC(=O)c1cscn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078479 951681684 /nfs/dbraw/zinc/68/16/84/951681684.db2.gz MBMJZXWVKGMTOT-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575079264 951688466 /nfs/dbraw/zinc/68/84/66/951688466.db2.gz MWIULECUYZXRKL-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575079333 951691066 /nfs/dbraw/zinc/69/10/66/951691066.db2.gz CXBVHQDSDHGGAU-PIGZYNQJSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCn1cccn1 ZINC001575079531 951694721 /nfs/dbraw/zinc/69/47/21/951694721.db2.gz QNTRAZAIMHBSFC-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC1CCOCC1 ZINC001575080154 951704527 /nfs/dbraw/zinc/70/45/27/951704527.db2.gz WHEFIFPHHSWKMD-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575080248 951706983 /nfs/dbraw/zinc/70/69/83/951706983.db2.gz QNKLBCDVOFQVFM-ORAYPTAESA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575081175 951719794 /nfs/dbraw/zinc/71/97/94/951719794.db2.gz PDOHDZDKOFUOJC-WFASDCNBSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082929 951738078 /nfs/dbraw/zinc/73/80/78/951738078.db2.gz ZPZQQBQQAPCQOO-DZGCQCFKSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1ccns1 ZINC001575082943 951738273 /nfs/dbraw/zinc/73/82/73/951738273.db2.gz ZUPKAPTWKOCVOB-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088671 951740621 /nfs/dbraw/zinc/74/06/21/951740621.db2.gz ADSGILQYCFWZMT-XJKSGUPXSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575088613 951740834 /nfs/dbraw/zinc/74/08/34/951740834.db2.gz BWESCBMUZLQYHV-OALUTQOASA-N 1 0 388.447 1.370 20 0 GDADRO C[C@H](CNC(=O)[C@H]1COc2ccccc21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090205 951759220 /nfs/dbraw/zinc/75/92/20/951759220.db2.gz JYWNDGUFYIMTHR-KSSFIOAISA-N 1 0 392.463 1.885 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCc1c[nH]cn1 ZINC001575090337 951760293 /nfs/dbraw/zinc/76/02/93/951760293.db2.gz KQAFPBIBQCEQQI-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575090738 951763171 /nfs/dbraw/zinc/76/31/71/951763171.db2.gz LNYQMTDOXOKUFL-PIGZYNQJSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091518 951779033 /nfs/dbraw/zinc/77/90/33/951779033.db2.gz TWSAUMCVMPYPQI-STQMWFEESA-N 1 0 376.436 1.274 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001575091940 951787286 /nfs/dbraw/zinc/78/72/86/951787286.db2.gz ZIPTXDXYRDVNPU-QGZVFWFLSA-N 1 0 390.513 1.608 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575092520 951792758 /nfs/dbraw/zinc/79/27/58/951792758.db2.gz CTLKTYBTVSMTHE-LBPRGKRZSA-N 1 0 388.863 1.353 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575093012 951796392 /nfs/dbraw/zinc/79/63/92/951796392.db2.gz GUKGNGXUSOMRRZ-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1ccc2n[nH]nc2c1 ZINC001575093763 951800414 /nfs/dbraw/zinc/80/04/14/951800414.db2.gz KDNBJZQWXNUNPB-GFCCVEGCSA-N 1 0 391.439 1.388 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575094205 951802582 /nfs/dbraw/zinc/80/25/82/951802582.db2.gz LTVMPHVEVCYQOA-OAHLLOKOSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575095717 951812451 /nfs/dbraw/zinc/81/24/51/951812451.db2.gz VYKWWBRZSQSDTG-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)c1cnoc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098100 951819410 /nfs/dbraw/zinc/81/94/10/951819410.db2.gz AQUGJRIAXJFPDE-JTQLQIEISA-N 1 0 387.469 1.949 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)COc1cccnc1 ZINC001575099032 951827128 /nfs/dbraw/zinc/82/71/28/951827128.db2.gz HLTBLZWOOBNUIK-LBPRGKRZSA-N 1 0 387.469 1.339 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)on1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100804 951846418 /nfs/dbraw/zinc/84/64/18/951846418.db2.gz VKDKSQYBSHAIOY-SNVBAGLBSA-N 1 0 387.469 1.949 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001575100908 951848980 /nfs/dbraw/zinc/84/89/80/951848980.db2.gz WORZPLBBCARMHQ-GFCCVEGCSA-N 1 0 388.501 1.861 20 0 GDADRO C[C@H](CNC(=O)CCC1CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100929 951849922 /nfs/dbraw/zinc/84/99/22/951849922.db2.gz WXEHCASITQHTCK-ZDUSSCGKSA-N 1 0 392.529 1.977 20 0 GDADRO C[C@@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101359 951857445 /nfs/dbraw/zinc/85/74/45/951857445.db2.gz CEDYRTWDKWWQPV-CWTRNNRKSA-N 1 0 390.463 1.399 20 0 GDADRO 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ZINC001575104256 951884815 /nfs/dbraw/zinc/88/48/15/951884815.db2.gz YOGARDVXJGKJMQ-GFCCVEGCSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cc1cccnc1 ZINC001575104859 951887851 /nfs/dbraw/zinc/88/78/51/951887851.db2.gz FKWLQHJQGSQWBK-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575104888 951890780 /nfs/dbraw/zinc/89/07/80/951890780.db2.gz GBPLZUUMCRSQLC-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001575105890 951901523 /nfs/dbraw/zinc/90/15/23/951901523.db2.gz PBHPUSAFWLMIFJ-FQEVSTJZSA-N 1 0 379.468 1.812 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575107237 951917971 /nfs/dbraw/zinc/91/79/71/951917971.db2.gz BSKNJAZUQMZMBJ-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cc(C2CC2)on1 ZINC001575107573 951919137 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WSKVXSBAHCFVDF-VIFPVBQESA-N 1 0 379.375 1.037 20 0 GDADRO C[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575135149 952115708 /nfs/dbraw/zinc/11/57/08/952115708.db2.gz KJDDXIKECUELOH-IHRRRGAJSA-N 1 0 389.479 1.995 20 0 GDADRO C[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001575137340 952137074 /nfs/dbraw/zinc/13/70/74/952137074.db2.gz WUXINPQILQNAPO-LBPRGKRZSA-N 1 0 375.452 1.749 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575145655 952188281 /nfs/dbraw/zinc/18/82/81/952188281.db2.gz CHFINQLYPDZTPU-KBPBESRZSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575147160 952199251 /nfs/dbraw/zinc/19/92/51/952199251.db2.gz RGUAAZKVHQKFTB-JTQLQIEISA-N 1 0 384.469 1.590 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001575166221 952321886 /nfs/dbraw/zinc/32/18/86/952321886.db2.gz SZTQLECOXWLPCK-SMDDNHRTSA-N 1 0 392.895 1.658 20 0 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O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCC1(F)F ZINC001571120198 952500911 /nfs/dbraw/zinc/50/09/11/952500911.db2.gz KVHJKZNZDSIRMX-WFASDCNBSA-N 1 0 376.411 1.850 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@]2(C1)CCC[N@@H+](C/C=C\Cl)C2 ZINC001571120938 952511179 /nfs/dbraw/zinc/51/11/79/952511179.db2.gz SEQJEAYDGWJZRL-OMUXJLDVSA-N 1 0 375.864 1.875 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@]2(C1)CCC[N@@H+](C/C=C\Cl)C2 ZINC001571120936 952511319 /nfs/dbraw/zinc/51/13/19/952511319.db2.gz SEQJEAYDGWJZRL-NCSHICFUSA-N 1 0 375.864 1.875 20 0 GDADRO CC[C@H](SC)C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571121189 952516131 /nfs/dbraw/zinc/51/61/31/952516131.db2.gz XYLXEVNUJTYWEU-DOMZBBRYSA-N 1 0 375.502 1.537 20 0 GDADRO CC[C@@H](C(=O)N1CC[C@H](CNc2ncc(-c3nn[nH]n3)cc2F)C1)[NH+](C)C ZINC001571122305 952525056 /nfs/dbraw/zinc/52/50/56/952525056.db2.gz IKNGYBBHEPYQHG-RISCZKNCSA-N 1 0 376.440 1.001 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001571122269 952525408 /nfs/dbraw/zinc/52/54/08/952525408.db2.gz IDAMBBQHUDTKRL-GJZGRUSLSA-N 1 0 376.486 1.326 20 0 GDADRO CC(F)(F)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(F)c(-c3nn[nH]n3)c1)C2 ZINC001575205496 952525801 /nfs/dbraw/zinc/52/58/01/952525801.db2.gz ANBCMQNREGQYMD-UHFFFAOYSA-N 1 0 380.374 1.695 20 0 GDADRO CC(F)(F)C(=O)N1CCC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001575206514 952529586 /nfs/dbraw/zinc/52/95/86/952529586.db2.gz JVAPRMGKJCGPMR-UHFFFAOYSA-N 1 0 382.390 1.989 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001571123393 952529774 /nfs/dbraw/zinc/52/97/74/952529774.db2.gz RDCOBGUMYOCLSN-GXTWGEPZSA-N 1 0 376.486 1.388 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001575206600 952531241 /nfs/dbraw/zinc/53/12/41/952531241.db2.gz KGMNZVNZWNQXSP-ZIAGYGMSSA-N 1 0 382.472 1.073 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnsn1 ZINC001571123405 952531350 /nfs/dbraw/zinc/53/13/50/952531350.db2.gz RJZBCMZZPKLEED-KYZUINATSA-N 1 0 376.471 1.078 20 0 GDADRO CC(F)(F)C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001575210337 952538181 /nfs/dbraw/zinc/53/81/81/952538181.db2.gz BSEHKVUTAUASKY-UHFFFAOYSA-N 1 0 382.390 1.989 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124673 952543010 /nfs/dbraw/zinc/54/30/10/952543010.db2.gz QZNVQTQXCVPCNB-GHMZBOCLSA-N 1 0 377.399 1.235 20 0 GDADRO O=C(N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571124853 952545526 /nfs/dbraw/zinc/54/55/26/952545526.db2.gz WMGVVOOYZZWUGM-IJLUTSLNSA-N 1 0 377.399 1.426 20 0 GDADRO Cc1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571127578 952557633 /nfs/dbraw/zinc/55/76/33/952557633.db2.gz JAKLEKKAAUCZFQ-SFHVURJKSA-N 1 0 377.452 1.965 20 0 GDADRO CCc1cccc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571127689 952559718 /nfs/dbraw/zinc/55/97/18/952559718.db2.gz MAKAUKBQLFDQNB-INIZCTEOSA-N 1 0 377.452 1.828 20 0 GDADRO CC(F)(F)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575214327 952563044 /nfs/dbraw/zinc/56/30/44/952563044.db2.gz WTPSWXBBQRREAD-LSDHHAIUSA-N 1 0 376.411 1.945 20 0 GDADRO Cc1cc(C(=O)NC2CC(C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)ccn1 ZINC001571128519 952568377 /nfs/dbraw/zinc/56/83/77/952568377.db2.gz VOUVXDDGFCBFDO-UHFFFAOYSA-N 1 0 377.452 1.868 20 0 GDADRO CC1(C)CN(C(=O)c2cccnc2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571128522 952568765 /nfs/dbraw/zinc/56/87/65/952568765.db2.gz VPFJSOOJMFTMHA-QGZVFWFLSA-N 1 0 377.452 1.902 20 0 GDADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)CC[N@H+](C)CCO ZINC001571128801 952571377 /nfs/dbraw/zinc/57/13/77/952571377.db2.gz WUDNKKYWFHPJIA-UHFFFAOYSA-N 1 0 377.449 1.042 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC001571128902 952572418 /nfs/dbraw/zinc/57/24/18/952572418.db2.gz XUEUPMUSUMNSGW-KDOFPFPSSA-N 1 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O=C(c1cn2c(n1)CCC2)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571140507 952627136 /nfs/dbraw/zinc/62/71/36/952627136.db2.gz BOCWYVXYIFXYHU-HNNXBMFYSA-N 1 0 378.440 1.014 20 0 GDADRO COc1ccc(C(=O)N2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)cc1 ZINC001571140746 952628919 /nfs/dbraw/zinc/62/89/19/952628919.db2.gz FLVRVYPATMHOOG-UHFFFAOYSA-N 1 0 379.424 1.541 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571141040 952630616 /nfs/dbraw/zinc/63/06/16/952630616.db2.gz FZKAQWYSEIPWRG-IYSMRTCOSA-N 1 0 378.480 1.896 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571141651 952635099 /nfs/dbraw/zinc/63/50/99/952635099.db2.gz YEPMOOFHSPZGOD-CHWSQXEVSA-N 1 0 379.415 1.824 20 0 GDADRO CS[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571141954 952638122 /nfs/dbraw/zinc/63/81/22/952638122.db2.gz LPTVKGFXOAEBGL-WCQYABFASA-N 1 0 378.477 1.695 20 0 GDADRO Cc1noc(C)c1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571142141 952638629 /nfs/dbraw/zinc/63/86/29/952638629.db2.gz PZTFYDGOMGCYBH-QLPKVWCKSA-N 1 0 379.424 1.332 20 0 GDADRO CC[C@H](C(=O)N1CC[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1)[NH+](C)C ZINC001571142264 952640207 /nfs/dbraw/zinc/64/02/07/952640207.db2.gz NQMIEYBWQYVXEB-WCQYABFASA-N 1 0 378.868 1.268 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571142550 952643093 /nfs/dbraw/zinc/64/30/93/952643093.db2.gz XABYUVLLFBPWBR-MLGOLLRUSA-N 1 0 379.424 1.218 20 0 GDADRO O=C(c1ccccc1O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571147196 952658958 /nfs/dbraw/zinc/65/89/58/952658958.db2.gz IUXDRXVKVVNUSZ-CYBMUJFWSA-N 1 0 379.424 1.496 20 0 GDADRO Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1C ZINC001571150694 952670765 /nfs/dbraw/zinc/67/07/65/952670765.db2.gz FHPAAFFKHZNDQS-JCNLHEQBSA-N 1 0 379.468 1.812 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cccn2C)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571151189 952673277 /nfs/dbraw/zinc/67/32/77/952673277.db2.gz NAWQGZUIIRCTRL-RHSMWYFYSA-N 1 0 379.468 1.988 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)c2cccn2C)C1 ZINC001571151219 952673372 /nfs/dbraw/zinc/67/33/72/952673372.db2.gz NHFNDDRNPQQZHK-YOEHRIQHSA-N 1 0 379.468 1.846 20 0 GDADRO O=C(CCn1cccc1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571151344 952674232 /nfs/dbraw/zinc/67/42/32/952674232.db2.gz PGYUKMFHQXFORY-QGZVFWFLSA-N 1 0 379.468 1.839 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)c3c[nH]nc3C3CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571156548 952702237 /nfs/dbraw/zinc/70/22/37/952702237.db2.gz DEZXKCLSYAGEFV-GFCCVEGCSA-N 1 0 379.428 1.179 20 0 GDADRO CCc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571165259 952749573 /nfs/dbraw/zinc/74/95/73/952749573.db2.gz AFCWEEJGCVNPFT-CYBMUJFWSA-N 1 0 380.456 1.404 20 0 GDADRO CCCc1n[nH]cc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571165578 952753025 /nfs/dbraw/zinc/75/30/25/952753025.db2.gz FWYHCXVPYMPFQR-OAHLLOKOSA-N 1 0 380.456 1.547 20 0 GDADRO C[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165664 952753588 /nfs/dbraw/zinc/75/35/88/952753588.db2.gz HKJIGMRTBNZHFX-BBRMVZONSA-N 1 0 380.456 1.017 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)c2cnn(C)c2)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571165930 952756216 /nfs/dbraw/zinc/75/62/16/952756216.db2.gz JAUJIVKQTLNLRE-SUMWQHHRSA-N 1 0 380.456 1.383 20 0 GDADRO CCc1nc[nH]c1C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571165863 952756367 /nfs/dbraw/zinc/75/63/67/952756367.db2.gz HXEAZKXEXPKHOL-WFASDCNBSA-N 1 0 380.456 1.545 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571166009 952757399 /nfs/dbraw/zinc/75/73/99/952757399.db2.gz JZPSUQNBIYDOMV-YOEHRIQHSA-N 1 0 380.456 1.233 20 0 GDADRO C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001571166410 952760410 /nfs/dbraw/zinc/76/04/10/952760410.db2.gz MFDPENGDJYRMKL-VQCLRJIVSA-N 1 0 380.456 1.309 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571166750 952764385 /nfs/dbraw/zinc/76/43/85/952764385.db2.gz PRZVGSLYDNFADE-IYBDPMFKSA-N 1 0 380.456 1.695 20 0 GDADRO O=C(Cc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571166835 952765519 /nfs/dbraw/zinc/76/55/19/952765519.db2.gz QICDITGWOHRAFH-QGZVFWFLSA-N 1 0 380.427 1.939 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571167119 952770262 /nfs/dbraw/zinc/77/02/62/952770262.db2.gz VZHZAEUGVDUACX-HNNXBMFYSA-N 1 0 380.456 1.648 20 0 GDADRO CCc1n[nH]cc1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571167171 952771352 /nfs/dbraw/zinc/77/13/52/952771352.db2.gz XHYQQZNMLZSHAJ-HNNXBMFYSA-N 1 0 380.456 1.547 20 0 GDADRO CN(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571169389 952772215 /nfs/dbraw/zinc/77/22/15/952772215.db2.gz BFKAOEBQILBTCQ-OAHLLOKOSA-N 1 0 380.456 1.265 20 0 GDADRO Cc1cnn(CC(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571169367 952772593 /nfs/dbraw/zinc/77/25/93/952772593.db2.gz AUARNSKAKLWWBI-KRWDZBQOSA-N 1 0 380.456 1.152 20 0 GDADRO Cc1nc(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c[nH]1 ZINC001571169443 952774086 /nfs/dbraw/zinc/77/40/86/952774086.db2.gz COCQZMKAQLUMST-WBMJQRKESA-N 1 0 380.456 1.396 20 0 GDADRO Cc1ccncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571169617 952775812 /nfs/dbraw/zinc/77/58/12/952775812.db2.gz IFIVGWJUXNSMCE-XJKSGUPXSA-N 1 0 380.456 1.587 20 0 GDADRO CCn1cccc1C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571169581 952776036 /nfs/dbraw/zinc/77/60/36/952776036.db2.gz HBJXWCZQNGIGBV-IBGZPJMESA-N 1 0 380.456 1.469 20 0 GDADRO CCn1ncc(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1C ZINC001571169747 952778089 /nfs/dbraw/zinc/77/80/89/952778089.db2.gz LSKMNJNJVCXSFQ-UHFFFAOYSA-N 1 0 380.456 1.253 20 0 GDADRO CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571169741 952778659 /nfs/dbraw/zinc/77/86/59/952778659.db2.gz LNRHQNLNKXNOBS-CXAGYDPISA-N 1 0 380.456 1.333 20 0 GDADRO CCn1cccc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001571169928 952780714 /nfs/dbraw/zinc/78/07/14/952780714.db2.gz QXHRVVABOACJTK-UKRRQHHQSA-N 1 0 380.456 1.529 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C ZINC001571169932 952780982 /nfs/dbraw/zinc/78/09/82/952780982.db2.gz QZSWHHRSJCXRLB-CZUORRHYSA-N 1 0 380.456 1.681 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571170043 952782595 /nfs/dbraw/zinc/78/25/95/952782595.db2.gz RDYAVZBDLAWVHU-UKRRQHHQSA-N 1 0 380.456 1.017 20 0 GDADRO Cc1ccncc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](C)C1 ZINC001571170124 952783685 /nfs/dbraw/zinc/78/36/85/952783685.db2.gz TVVZTVQKTMRHOB-DZGCQCFKSA-N 1 0 380.456 1.681 20 0 GDADRO CCn1cnc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571170926 952790601 /nfs/dbraw/zinc/79/06/01/952790601.db2.gz ZQABQGXOCWVWHU-AWEZNQCLSA-N 1 0 380.456 1.335 20 0 GDADRO C[C@H]1CN(C(=O)c2ccccc2F)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571178198 952836314 /nfs/dbraw/zinc/83/63/14/952836314.db2.gz AYGHWVHBIJDADY-QWHCGFSZSA-N 1 0 381.415 1.643 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccccn1 ZINC001571178337 952839184 /nfs/dbraw/zinc/83/91/84/952839184.db2.gz GDPJMLYQXQZJIX-WBMJQRKESA-N 1 0 381.415 1.794 20 0 GDADRO Cc1cc(N2CC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571178891 952849547 /nfs/dbraw/zinc/84/95/47/952849547.db2.gz XCACBXBYNBPCSN-ZDUSSCGKSA-N 1 0 381.415 1.966 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC001571179366 952851523 /nfs/dbraw/zinc/85/15/23/952851523.db2.gz BVVVCLIPBPPEPJ-WMLDXEAASA-N 1 0 381.440 1.123 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C)no1 ZINC001571179351 952852094 /nfs/dbraw/zinc/85/20/94/952852094.db2.gz BQVSZGZTWNEZQB-CZUORRHYSA-N 1 0 381.440 1.946 20 0 GDADRO Cc1cnoc1C(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571179312 952852454 /nfs/dbraw/zinc/85/24/54/952852454.db2.gz BFEAQZQGNYGHMK-HOCLYGCPSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1occc1C(=O)N1C[C@H](C)[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571179518 952853394 /nfs/dbraw/zinc/85/33/94/952853394.db2.gz FJTSZLVFPBAVNH-SMDDNHRTSA-N 1 0 381.440 1.714 20 0 GDADRO Cc1cc(NC[C@H]2CN(C(=O)Cc3ccco3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571179883 952855746 /nfs/dbraw/zinc/85/57/46/952855746.db2.gz JIYNSOCAYOPLDC-OCCSQVGLSA-N 1 0 381.440 1.334 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC001571180229 952859315 /nfs/dbraw/zinc/85/93/15/952859315.db2.gz MUJPMBVIMDULPY-MRXNPFEDSA-N 1 0 381.440 1.900 20 0 GDADRO Cc1cc(C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)on1 ZINC001571180265 952859351 /nfs/dbraw/zinc/85/93/51/952859351.db2.gz OBVSWTZRHUPHMO-UHFFFAOYSA-N 1 0 381.440 1.948 20 0 GDADRO O=C(Cc1ccon1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571180491 952859900 /nfs/dbraw/zinc/85/99/00/952859900.db2.gz PSTXKSFDTLNURP-QGZVFWFLSA-N 1 0 381.440 1.568 20 0 GDADRO Cc1cc(C(=O)N2C[C@H](C)[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)on1 ZINC001571180464 952860080 /nfs/dbraw/zinc/86/00/80/952860080.db2.gz OVFLFIWASIMYPQ-BLLLJJGKSA-N 1 0 381.440 1.661 20 0 GDADRO Cc1nocc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571180623 952861869 /nfs/dbraw/zinc/86/18/69/952861869.db2.gz RAJYGBODNNAKMT-WFASDCNBSA-N 1 0 381.440 1.946 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1 ZINC001571182768 952868546 /nfs/dbraw/zinc/86/85/46/952868546.db2.gz FBQORWMNEDCOMB-CTYIDZIISA-N 1 0 381.440 1.502 20 0 GDADRO CO[C@H](C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)c1ccccc1 ZINC001571182729 952868563 /nfs/dbraw/zinc/86/85/63/952868563.db2.gz CUXJQXKQCQFGLF-RHSMWYFYSA-N 1 0 381.440 1.387 20 0 GDADRO CCc1ocnc1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571182795 952868856 /nfs/dbraw/zinc/86/88/56/952868856.db2.gz GBGONRLWPCOGAF-HNNXBMFYSA-N 1 0 381.440 1.812 20 0 GDADRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1 ZINC001571182834 952869608 /nfs/dbraw/zinc/86/96/08/952869608.db2.gz HFWKQNUHRGGHLL-HNNXBMFYSA-N 1 0 381.440 1.598 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ccc(F)cn1 ZINC001571183161 952873776 /nfs/dbraw/zinc/87/37/76/952873776.db2.gz QPWUJHVTPLJAAG-MRXNPFEDSA-N 1 0 381.415 1.795 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2coc(C)n2)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571183183 952874284 /nfs/dbraw/zinc/87/42/84/952874284.db2.gz RRVOXUHRLMUXBF-DOTOQJQBSA-N 1 0 381.440 1.946 20 0 GDADRO CCc1oncc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571183302 952876835 /nfs/dbraw/zinc/87/68/35/952876835.db2.gz WFDJDUTYJNZBCJ-OAHLLOKOSA-N 1 0 381.440 1.764 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+]1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](C)C1 ZINC001571184450 952893869 /nfs/dbraw/zinc/89/38/69/952893869.db2.gz ZOEVMWBUHXKPNL-MBNYWOFBSA-N 1 0 381.444 1.044 20 0 GDADRO Cc1cnn(C)c1C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571188895 952921612 /nfs/dbraw/zinc/92/16/12/952921612.db2.gz PBTLBNWWKFBRHC-UHFFFAOYSA-N 1 0 381.444 1.093 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C)c[nH]1 ZINC001571189545 952930890 /nfs/dbraw/zinc/93/08/90/952930890.db2.gz XCBGIEBILHWDJZ-DGCLKSJQSA-N 1 0 381.444 1.129 20 0 GDADRO CCc1nc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571199281 952999679 /nfs/dbraw/zinc/99/96/79/952999679.db2.gz OZHBXIZSWYUTGP-GFCCVEGCSA-N 1 0 382.428 1.438 20 0 GDADRO CCc1ncoc1C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571199619 953001478 /nfs/dbraw/zinc/00/14/78/953001478.db2.gz WQXQJNKGSQCICP-LBPRGKRZSA-N 1 0 382.428 1.341 20 0 GDADRO O=C(N[C@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccc(F)cn1 ZINC001571200325 953008318 /nfs/dbraw/zinc/00/83/18/953008318.db2.gz HTKXXNWFQPIWPQ-YPMHNXCESA-N 1 0 382.403 1.228 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)no1 ZINC001571201353 953017861 /nfs/dbraw/zinc/01/78/61/953017861.db2.gz KOOYVRXFUYBVFX-DGCLKSJQSA-N 1 0 382.428 1.190 20 0 GDADRO O=C(c1cnccn1)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571201875 953021188 /nfs/dbraw/zinc/02/11/88/953021188.db2.gz SIVTXSOGTMJDTM-CQSZACIVSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1ncoc1C(=O)N[C@H]1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202665 953028213 /nfs/dbraw/zinc/02/82/13/953028213.db2.gz XCFFUGJBTQGOAJ-OLZOCXBDSA-N 1 0 382.428 1.299 20 0 GDADRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cnon1 ZINC001571206968 953058447 /nfs/dbraw/zinc/05/84/47/953058447.db2.gz VGMRINLJXUOXLM-CTYIDZIISA-N 1 0 382.428 1.328 20 0 GDADRO O=C(NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCCO1)[C@H]1CC12CC2 ZINC001571209984 953069333 /nfs/dbraw/zinc/06/93/33/953069333.db2.gz KSBZPGBUBRBUIS-IAGOWNOFSA-N 1 0 382.468 1.374 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CC1CC(NC(=O)[C@@H]2CC23CC3)C1 ZINC001571210816 953075167 /nfs/dbraw/zinc/07/51/67/953075167.db2.gz XMTXWMQRPNSTHF-MOQPWLNLSA-N 1 0 382.468 1.660 20 0 GDADRO C[C@@H](NC(=O)c1cccn1C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571229864 953172901 /nfs/dbraw/zinc/17/29/01/953172901.db2.gz PTJIHEMQHRBQCK-GFCCVEGCSA-N 1 0 383.431 1.595 20 0 GDADRO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571230564 953178431 /nfs/dbraw/zinc/17/84/31/953178431.db2.gz XSEYEKAWATXLCU-ZDUSSCGKSA-N 1 0 383.431 1.894 20 0 GDADRO CN(C(=O)C1=CCOCC1)C1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571231568 953185349 /nfs/dbraw/zinc/18/53/49/953185349.db2.gz ZUYQAVCKBARZDV-UHFFFAOYSA-N 1 0 383.456 1.212 20 0 GDADRO CCn1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2(C)C)n1 ZINC001571233130 953190520 /nfs/dbraw/zinc/19/05/20/953190520.db2.gz PJAFCYZGBYSAHT-OAHLLOKOSA-N 1 0 383.460 1.052 20 0 GDADRO CC(C)n1ccc(C[NH2+]C2CC(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001571233410 953192058 /nfs/dbraw/zinc/19/20/58/953192058.db2.gz UTXZPFFQGWSROC-UHFFFAOYSA-N 1 0 383.460 1.270 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001571233992 953197757 /nfs/dbraw/zinc/19/77/57/953197757.db2.gz JWOXFTVQKWPKTL-JSGCOSHPSA-N 1 0 383.481 1.817 20 0 GDADRO O=C(Cc1cncs1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571234122 953198908 /nfs/dbraw/zinc/19/89/08/953198908.db2.gz NNJZFDFGMPAIOL-AWEZNQCLSA-N 1 0 383.481 1.647 20 0 GDADRO Cc1ncccc1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571234217 953199495 /nfs/dbraw/zinc/19/94/95/953199495.db2.gz QADZBXNUDCHZOY-CQSZACIVSA-N 1 0 383.481 1.565 20 0 GDADRO O=C(CCc1nccs1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571234428 953201953 /nfs/dbraw/zinc/20/19/53/953201953.db2.gz XEAZLABPWIOTHZ-CQSZACIVSA-N 1 0 383.481 1.647 20 0 GDADRO Cc1[nH]nc(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)c1C ZINC001571239148 953236346 /nfs/dbraw/zinc/23/63/46/953236346.db2.gz GMTQCKKEGMRUST-AWEZNQCLSA-N 1 0 384.419 1.350 20 0 GDADRO C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571239433 953239359 /nfs/dbraw/zinc/23/93/59/953239359.db2.gz LPFICQAMMDJJNJ-FZMZJTMJSA-N 1 0 384.419 1.227 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C)[nH]n1 ZINC001571239759 953243123 /nfs/dbraw/zinc/24/31/23/953243123.db2.gz SEQPNNPXQRQDLP-FZMZJTMJSA-N 1 0 384.419 1.430 20 0 GDADRO O=C(Cc1ccco1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571240061 953245489 /nfs/dbraw/zinc/24/54/89/953245489.db2.gz YRVNJIBWJGKRQC-AWEZNQCLSA-N 1 0 384.415 1.780 20 0 GDADRO O=C(N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ncc[nH]1 ZINC001571241693 953249000 /nfs/dbraw/zinc/24/90/00/953249000.db2.gz IQMMYMXFFNMPQL-ZFWWWQNUSA-N 1 0 384.419 1.417 20 0 GDADRO Cn1cncc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571241967 953251043 /nfs/dbraw/zinc/25/10/43/953251043.db2.gz REXVJRPCSOWFJS-YEORSEQZSA-N 1 0 384.419 1.038 20 0 GDADRO CCc1noc(C)c1C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571242487 953257278 /nfs/dbraw/zinc/25/72/78/953257278.db2.gz HRSLSFRQKYVMPV-CMPLNLGQSA-N 1 0 384.444 1.446 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCN1C(=O)c1csnn1 ZINC001571244541 953264282 /nfs/dbraw/zinc/26/42/82/953264282.db2.gz ALUMOXSCFATPBJ-AWEZNQCLSA-N 1 0 384.469 1.455 20 0 GDADRO C[C@H]1CN(C(=O)c2cnns2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571244673 953265720 /nfs/dbraw/zinc/26/57/20/953265720.db2.gz DKZPZXUBHWWJJG-FZMZJTMJSA-N 1 0 384.469 1.216 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)ncn1 ZINC001571244745 953266586 /nfs/dbraw/zinc/26/65/86/953266586.db2.gz HIVWPVOWVAQZHE-TXEJJXNPSA-N 1 0 384.469 1.325 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)Cc3cscn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571244784 953267343 /nfs/dbraw/zinc/26/73/43/953267343.db2.gz IMXWIWINIVUGOC-LBPRGKRZSA-N 1 0 384.469 1.354 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2nccs2)C1 ZINC001571245398 953272861 /nfs/dbraw/zinc/27/28/61/953272861.db2.gz HNUZACABRCYOEQ-NEPJUHHUSA-N 1 0 384.469 1.493 20 0 GDADRO Cc1cc(N[C@H]2CCCN(C(=O)Cc3cncs3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245807 953276753 /nfs/dbraw/zinc/27/67/53/953276753.db2.gz ZFJGAIQUQJJNIH-LBPRGKRZSA-N 1 0 384.469 1.094 20 0 GDADRO Cc1nc(CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)s1 ZINC001571245801 953276816 /nfs/dbraw/zinc/27/68/16/953276816.db2.gz ZBUSQYRGFJOBQI-GFCCVEGCSA-N 1 0 384.469 1.012 20 0 GDADRO Cc1cc(NCC[C@@H]2CCN(C(=O)c3cncs3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245828 953277558 /nfs/dbraw/zinc/27/75/58/953277558.db2.gz ZRCNPKOGKOVCNX-GFCCVEGCSA-N 1 0 384.469 1.413 20 0 GDADRO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571245942 953278256 /nfs/dbraw/zinc/27/82/56/953278256.db2.gz PBNORMUTRZQITL-HJUANSTKSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001571246253 953281871 /nfs/dbraw/zinc/28/18/71/953281871.db2.gz WXUZIVGWFRCNOD-DQADVMEASA-N 1 0 384.459 1.988 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC001571246356 953282605 /nfs/dbraw/zinc/28/26/05/953282605.db2.gz YSJLKGXGMLDHQD-SMDDNHRTSA-N 1 0 384.469 1.359 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571247585 953283210 /nfs/dbraw/zinc/28/32/10/953283210.db2.gz AOIZCFYNFNBRGX-NJAFHUGGSA-N 1 0 384.484 1.762 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](C)C2)oc1C ZINC001571247549 953283256 /nfs/dbraw/zinc/28/32/56/953283256.db2.gz ALUUYSYCMBMJAI-YGRLFVJLSA-N 1 0 384.444 1.583 20 0 GDADRO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@@H]2C)o1 ZINC001571247579 953283543 /nfs/dbraw/zinc/28/35/43/953283543.db2.gz ARCPZZDAIXCWTG-FZMZJTMJSA-N 1 0 384.444 1.379 20 0 GDADRO CC[C@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)O1 ZINC001571247754 953285118 /nfs/dbraw/zinc/28/51/18/953285118.db2.gz DHSCLMZIMUDGHU-JXSMBQFASA-N 1 0 384.484 1.809 20 0 GDADRO CC(C)(O)CC(=O)N1CCC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571247883 953286947 /nfs/dbraw/zinc/28/69/47/953286947.db2.gz HFDJDHFSHFPOEM-DLBZAZTESA-N 1 0 384.484 1.451 20 0 GDADRO Cc1nc(CCC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cs1 ZINC001571247884 953287169 /nfs/dbraw/zinc/28/71/69/953287169.db2.gz HFSLHPLCDUGCQZ-GFCCVEGCSA-N 1 0 384.469 1.094 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC2(C1)CC[NH+](Cc1cncs1)CC2 ZINC001571247994 953288482 /nfs/dbraw/zinc/28/84/82/953288482.db2.gz KOSUCMGOGKAIHM-UHFFFAOYSA-N 1 0 384.469 1.390 20 0 GDADRO Cc1conc1C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1C ZINC001571248131 953290098 /nfs/dbraw/zinc/29/00/98/953290098.db2.gz FAKYXYYREYIDGR-FZMZJTMJSA-N 1 0 384.444 1.379 20 0 GDADRO CC[C@@H]1C[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001571248265 953291741 /nfs/dbraw/zinc/29/17/41/953291741.db2.gz OURYVBJIANNBMI-OWCLPIDISA-N 1 0 384.484 1.954 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC001571248302 953291866 /nfs/dbraw/zinc/29/18/66/953291866.db2.gz PXHJLZHEICMUQX-MSOLQXFVSA-N 1 0 384.484 1.859 20 0 GDADRO Cc1ncsc1C[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 ZINC001571248714 953296433 /nfs/dbraw/zinc/29/64/33/953296433.db2.gz YFDVBVLACSVFGJ-TXEJJXNPSA-N 1 0 384.469 1.164 20 0 GDADRO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)on1 ZINC001571248822 953298201 /nfs/dbraw/zinc/29/82/01/953298201.db2.gz JLYPIDOPSDGKTI-QWHCGFSZSA-N 1 0 384.444 1.522 20 0 GDADRO Cc1oncc1C[NH2+][C@@H](C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571248949 953298848 /nfs/dbraw/zinc/29/88/48/953298848.db2.gz MLWAYQOXOZHLLX-NSHDSACASA-N 1 0 384.444 1.522 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571249279 953303655 /nfs/dbraw/zinc/30/36/55/953303655.db2.gz HIRNEUAUGKERNC-WMLDXEAASA-N 1 0 384.488 1.221 20 0 GDADRO C[C@@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001571249695 953306524 /nfs/dbraw/zinc/30/65/24/953306524.db2.gz KKOAPELIFCZAFE-ZIAGYGMSSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571250597 953312705 /nfs/dbraw/zinc/31/27/05/953312705.db2.gz RCZKMQXUYQVCMN-OLMNPRSZSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571251421 953317335 /nfs/dbraw/zinc/31/73/35/953317335.db2.gz XKYCFSYLQRZDKD-HUUCEWRRSA-N 1 0 384.488 1.254 20 0 GDADRO Cc1nc(NCC2CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571251959 953321542 /nfs/dbraw/zinc/32/15/42/953321542.db2.gz CUBASYOUHVBNPH-XUJLQICISA-N 1 0 384.488 1.361 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C)c(C)o1 ZINC001571252238 953325317 /nfs/dbraw/zinc/32/53/17/953325317.db2.gz ZJSWABYUZCBPFD-QMTHXVAHSA-N 1 0 384.444 1.440 20 0 GDADRO Cc1nc(N2C[C@H](NC(=O)C[NH+]3CCCC3)CC[C@@H]2C)ccc1-c1nn[nH]n1 ZINC001571252319 953326356 /nfs/dbraw/zinc/32/63/56/953326356.db2.gz LANZULVUERLFGP-DZGCQCFKSA-N 1 0 384.488 1.139 20 0 GDADRO C[C@H]1CN(C(=O)c2ccon2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571254412 953339283 /nfs/dbraw/zinc/33/92/83/953339283.db2.gz GKBPFEJADADTBD-SMDDNHRTSA-N 1 0 385.403 1.492 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2Cl)CC1 ZINC001571254699 953340527 /nfs/dbraw/zinc/34/05/27/953340527.db2.gz GGWQCCHTOJHAQV-LLVKDONJSA-N 1 0 384.893 1.625 20 0 GDADRO CCc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)co1 ZINC001571254856 953343541 /nfs/dbraw/zinc/34/35/41/953343541.db2.gz LODFFVXNGPSZBK-JOCQHMNTSA-N 1 0 385.403 1.607 20 0 GDADRO CC1(C)CN(C(=O)c2cnco2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571255877 953358060 /nfs/dbraw/zinc/35/80/60/953358060.db2.gz VJGFWBCLWJVFAJ-HNNXBMFYSA-N 1 0 385.403 1.634 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)c1cocn1 ZINC001571256149 953364253 /nfs/dbraw/zinc/36/42/53/953364253.db2.gz ZHAWZLHSSQHOQA-CYBMUJFWSA-N 1 0 385.403 1.778 20 0 GDADRO COC[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000635020744 953874555 /nfs/dbraw/zinc/87/45/55/953874555.db2.gz RAFUXEFYJQTHGR-OAQYLSRUSA-N 1 0 389.496 1.322 20 0 GDADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001119100066 957185092 /nfs/dbraw/zinc/18/50/92/957185092.db2.gz FQRIUKUMNWGPOM-KRWDZBQOSA-N 1 0 378.473 1.146 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000273664775 962791017 /nfs/dbraw/zinc/79/10/17/962791017.db2.gz IPTXGSKDZFKYAG-MRXNPFEDSA-N 1 0 383.514 1.421 20 0 GDADRO C[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C(=O)[O-] ZINC000564925178 968422265 /nfs/dbraw/zinc/42/22/65/968422265.db2.gz JUJNGJQCDDIRFB-WMZOPIPTSA-N 1 0 389.500 1.346 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000874416187 969394100 /nfs/dbraw/zinc/39/41/00/969394100.db2.gz CZAQBMUAHTVSPR-UHFFFAOYSA-N 1 0 380.533 1.833 20 0 GDADRO CCc1ccc(CN2CCN(C(=O)NC3CC[NH+](CC(=O)[O-])CC3)CC2)cc1 ZINC000898853282 969415896 /nfs/dbraw/zinc/41/58/96/969415896.db2.gz JBRGZUVEPCZARU-UHFFFAOYSA-N 1 0 388.512 1.625 20 0 GDADRO CC(C)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001592267200 977511665 /nfs/dbraw/zinc/51/16/65/977511665.db2.gz ASGHUZXBQOWAMQ-VQIMIIECSA-N 1 0 390.528 1.964 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001598606127 993661160 /nfs/dbraw/zinc/66/11/60/993661160.db2.gz GTGHJJGZJKXRDQ-ZBFHGGJFSA-N 1 0 382.892 1.601 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC001598675128 994829836 /nfs/dbraw/zinc/82/98/36/994829836.db2.gz FYKVSNXQMJIHCT-UHFFFAOYSA-N 1 0 383.514 1.056 20 0 GDADRO COC(=O)CC1CC[NH+](CC2(C[NH+]3CCC(CC(=O)[O-])CC3)COC2)CC1 ZINC001598845192 996559180 /nfs/dbraw/zinc/55/91/80/996559180.db2.gz LQGUNKVCAHVMIC-UHFFFAOYSA-N 1 0 382.501 1.465 20 0 GDADRO COc1cc(OC)cc([C@H](C(=O)[O-])[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC001599451058 998100471 /nfs/dbraw/zinc/10/04/71/998100471.db2.gz RVQMYUAHTABBHC-LJQANCHMSA-N 1 0 377.485 1.541 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000775315731 1126109137 /nfs/dbraw/zinc/10/91/37/1126109137.db2.gz QRIXZVYZVVRTBD-CVEARBPZSA-N 1 0 397.928 1.898 20 0 GDADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@@](C)(CO)Cc1ccccc1F ZINC000933432263 1126139855 /nfs/dbraw/zinc/13/98/55/1126139855.db2.gz ROYDYJOVTUIUKO-LJQANCHMSA-N 1 0 397.516 1.767 20 0 GDADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@](C)(CO)Cc1ccccc1F ZINC000933432262 1126139887 /nfs/dbraw/zinc/13/98/87/1126139887.db2.gz ROYDYJOVTUIUKO-IBGZPJMESA-N 1 0 397.516 1.767 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(OC)c2)cc1 ZINC001591583601 1126215970 /nfs/dbraw/zinc/21/59/70/1126215970.db2.gz IJAPYUQNFLMOCL-HXUWFJFHSA-N 1 0 383.452 1.967 20 0 GDADRO CN1C(=O)COc2ccc(NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)cc21 ZINC000426429838 231220888 /nfs/dbraw/zinc/22/08/88/231220888.db2.gz QDQINTOQOPHPOF-OAHLLOKOSA-N 1 0 376.457 1.616 20 0 GDADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H](O)COCc1cccs1 ZINC000158315749 530531126 /nfs/dbraw/zinc/53/11/26/530531126.db2.gz LXTLNLYSUUVBOQ-HIFRSBDPSA-N 1 0 384.523 1.966 20 0 GDADRO CC(C)[C@](C)(C[NH3+])NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000158278245 530531281 /nfs/dbraw/zinc/53/12/81/530531281.db2.gz KNBXTXWDQKVBAN-HNNXBMFYSA-N 1 0 391.331 1.854 20 0 GDADRO COc1ccc(Br)c(CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000158833103 530536978 /nfs/dbraw/zinc/53/69/78/530536978.db2.gz QUBFKFCYMGVXQB-AWEZNQCLSA-N 1 0 398.345 2.000 20 0 GDADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158962807 530538579 /nfs/dbraw/zinc/53/85/79/530538579.db2.gz ABIRRWXNUDQCGQ-NSHDSACASA-N 1 0 397.360 1.944 20 0 GDADRO [NH3+]C[C@@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)C1CC1 ZINC000159253653 530541592 /nfs/dbraw/zinc/54/15/92/530541592.db2.gz PQRQKKHELNJPRI-CQSZACIVSA-N 1 0 379.258 1.403 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000161655687 530563053 /nfs/dbraw/zinc/56/30/53/530563053.db2.gz ABUYYNUBJMQRGN-NSHDSACASA-N 1 0 389.315 1.843 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000161938718 530564345 /nfs/dbraw/zinc/56/43/45/530564345.db2.gz YNRSUXANUWDMHC-UHFFFAOYSA-N 1 0 379.276 1.466 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2cncc(I)c2)cn1 ZINC000162044219 530565650 /nfs/dbraw/zinc/56/56/50/530565650.db2.gz GAAUDRDFQKNVJV-UHFFFAOYSA-N 1 0 385.209 1.697 20 0 GDADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000166319027 530582242 /nfs/dbraw/zinc/58/22/42/530582242.db2.gz RBPXJLQJLLTOAK-UHFFFAOYSA-N 1 0 388.555 1.833 20 0 GDADRO CCCS(=O)(=O)NC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000030135668 530597691 /nfs/dbraw/zinc/59/76/91/530597691.db2.gz DKQZZQNQLRLDNI-INIZCTEOSA-N 1 0 390.933 1.874 20 0 GDADRO CNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)o1 ZINC000032763094 530608829 /nfs/dbraw/zinc/60/88/29/530608829.db2.gz HBRDJXHNESEARJ-GFCCVEGCSA-N 1 0 383.495 1.816 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000172344894 530612349 /nfs/dbraw/zinc/61/23/49/530612349.db2.gz BDLLZOZNZBWDMZ-UHFFFAOYSA-N 1 0 385.306 1.487 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172416102 530613397 /nfs/dbraw/zinc/61/33/97/530613397.db2.gz NHIXYNKRZSBXMO-CQSZACIVSA-N 1 0 385.555 1.892 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1c(I)cnn1C ZINC000026533198 530585276 /nfs/dbraw/zinc/58/52/76/530585276.db2.gz PYJUVBSRKTVMKP-SNVBAGLBSA-N 1 0 376.242 1.629 20 0 GDADRO CC1CC[NH+](Cc2cccc(CNS(=O)(=O)CCS(C)(=O)=O)c2)CC1 ZINC000173100480 530623664 /nfs/dbraw/zinc/62/36/64/530623664.db2.gz KHYPWSJCDSVYQV-UHFFFAOYSA-N 1 0 388.555 1.383 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000041923631 530625412 /nfs/dbraw/zinc/62/54/12/530625412.db2.gz MMHWNLCUZUDLMR-UHFFFAOYSA-N 1 0 386.290 1.781 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000173455656 530630453 /nfs/dbraw/zinc/63/04/53/530630453.db2.gz HBYKAGDJWKLFOG-LLVKDONJSA-N 1 0 381.329 1.550 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000173593458 530633616 /nfs/dbraw/zinc/63/36/16/530633616.db2.gz KXUAFMPFGJPHLF-CYBMUJFWSA-N 1 0 384.318 1.752 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000173724201 530635744 /nfs/dbraw/zinc/63/57/44/530635744.db2.gz XEDCGHRYGTZWGR-UHFFFAOYSA-N 1 0 385.306 1.141 20 0 GDADRO O=S1(=O)CC[C@@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000037982322 530616918 /nfs/dbraw/zinc/61/69/18/530616918.db2.gz GDANUJLOWNTBHJ-AAEUAGOBSA-N 1 0 378.288 1.213 20 0 GDADRO O=C1C[C@H]([NH2+]Cc2ccc(Br)cc2)CN1CCN1CCOCC1 ZINC000172697402 530617121 /nfs/dbraw/zinc/61/71/21/530617121.db2.gz RREDPPRFENTDQF-INIZCTEOSA-N 1 0 382.302 1.472 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000040693066 530620332 /nfs/dbraw/zinc/62/03/32/530620332.db2.gz JQFCVZRWXUMJHY-GFCCVEGCSA-N 1 0 375.288 1.926 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762595 530681581 /nfs/dbraw/zinc/68/15/81/530681581.db2.gz XOWSCKZHBXZVGU-CYBMUJFWSA-N 1 0 397.317 1.482 20 0 GDADRO O=C(c1cc(I)c[nH]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174163929 530644893 /nfs/dbraw/zinc/64/48/93/530644893.db2.gz UBZRTJWMDIOBBB-LLVKDONJSA-N 1 0 389.237 1.414 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000046083721 530649202 /nfs/dbraw/zinc/64/92/02/530649202.db2.gz VYUZBMXMOZXRNP-UHFFFAOYSA-N 1 0 379.404 1.100 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000174640639 530651508 /nfs/dbraw/zinc/65/15/08/530651508.db2.gz BYDWVSUUCRMYQN-UHFFFAOYSA-N 1 0 392.319 1.558 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000046736329 530652623 /nfs/dbraw/zinc/65/26/23/530652623.db2.gz NJDSRXFRWQVWDZ-UHFFFAOYSA-N 1 0 376.567 1.469 20 0 GDADRO C[C@@H](NS(C)(=O)=O)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000174693648 530653020 /nfs/dbraw/zinc/65/30/20/530653020.db2.gz MWHBMRQZXNCTGN-CQSZACIVSA-N 1 0 387.933 1.702 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCOc2cccc(Br)c2)CC1=O ZINC000174730491 530653117 /nfs/dbraw/zinc/65/31/17/530653117.db2.gz OYBLQRIBBNCMOG-ZDUSSCGKSA-N 1 0 398.301 1.354 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000174776108 530653614 /nfs/dbraw/zinc/65/36/14/530653614.db2.gz SJZKKSYKXPJXSH-AWEZNQCLSA-N 1 0 382.302 1.784 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000046861592 530653824 /nfs/dbraw/zinc/65/38/24/530653824.db2.gz OOOLVQNIAXNOHV-AWEZNQCLSA-N 1 0 385.555 1.994 20 0 GDADRO CN(CC(=O)NCC1([NH+](C)C)CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000047388144 530658222 /nfs/dbraw/zinc/65/82/22/530658222.db2.gz ISVCQDDGSCZMLS-UHFFFAOYSA-N 1 0 387.933 1.951 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC2CC[NH+](C)CC2)cc1Br ZINC000175195187 530660138 /nfs/dbraw/zinc/66/01/38/530660138.db2.gz WNZLUHBDDRNDRT-UHFFFAOYSA-N 1 0 393.303 1.839 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000175306536 530663378 /nfs/dbraw/zinc/66/33/78/530663378.db2.gz FFROZNZLIYXXJX-GFCCVEGCSA-N 1 0 386.290 1.962 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000175906650 530672743 /nfs/dbraw/zinc/67/27/43/530672743.db2.gz ZGOXXCBTOPHYOQ-CYBMUJFWSA-N 1 0 383.495 1.816 20 0 GDADRO [NH3+][C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000050241923 530675831 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20 0 GDADRO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000177404725 530702449 /nfs/dbraw/zinc/70/24/49/530702449.db2.gz QFJTZLFTSZPCOD-AWEZNQCLSA-N 1 0 392.237 1.607 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000177967437 530713530 /nfs/dbraw/zinc/71/35/30/530713530.db2.gz VFETXDGHPXULPH-UHFFFAOYSA-N 1 0 375.267 1.238 20 0 GDADRO O[C@H](COc1ccc(Br)cc1)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178491744 530721468 /nfs/dbraw/zinc/72/14/68/530721468.db2.gz LZDPQLOAKGENDC-RDJZCZTQSA-N 1 0 399.329 1.843 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000178158974 530717371 /nfs/dbraw/zinc/71/73/71/530717371.db2.gz RLBFZNJBQIGJQC-OAHLLOKOSA-N 1 0 388.306 1.750 20 0 GDADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000178261175 530718935 /nfs/dbraw/zinc/71/89/35/530718935.db2.gz SFPMRUYHQCMMPC-GFCCVEGCSA-N 1 0 388.921 1.713 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179107426 530735772 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/nfs/dbraw/zinc/90/01/06/530900106.db2.gz VLWKVXZJZPELSE-CYBMUJFWSA-N 1 0 378.441 1.640 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000188737715 530900203 /nfs/dbraw/zinc/90/02/03/530900203.db2.gz MJTMVWQKLNZGIX-LBPRGKRZSA-N 1 0 399.333 1.827 20 0 GDADRO O=C(C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)N1CCOCC1 ZINC000188760736 530901185 /nfs/dbraw/zinc/90/11/85/530901185.db2.gz AZLSCJPZRKNMOO-UHFFFAOYSA-N 1 0 398.301 1.234 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)C1 ZINC000115873958 530902073 /nfs/dbraw/zinc/90/20/73/530902073.db2.gz LIHPGQMPOVTAAI-UOXLDJKESA-N 1 0 385.917 1.567 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccccc1Cl ZINC000115871326 530902117 /nfs/dbraw/zinc/90/21/17/530902117.db2.gz FPALMIMVURADQT-IUODEOHRSA-N 1 0 375.922 1.777 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000116329879 530903823 /nfs/dbraw/zinc/90/38/23/530903823.db2.gz VIZZLJUVRXPGIY-GJZGRUSLSA-N 1 0 388.555 1.630 20 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CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000118773835 530918988 /nfs/dbraw/zinc/91/89/88/530918988.db2.gz JPFQGMOBTONWSZ-YVSFHVDLSA-N 1 0 375.579 1.825 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1nc(Br)cs1 ZINC000119334445 530924843 /nfs/dbraw/zinc/92/48/43/530924843.db2.gz VBYVATQVLPQOFJ-JTQLQIEISA-N 1 0 389.319 1.578 20 0 GDADRO O=S(=O)(NCCCCN1CC[NH+](CCO)CC1)c1cccc(Cl)c1F ZINC000119517952 530926797 /nfs/dbraw/zinc/92/67/97/530926797.db2.gz MQSPZULPECSAAV-UHFFFAOYSA-N 1 0 393.912 1.148 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000190282307 530927710 /nfs/dbraw/zinc/92/77/10/530927710.db2.gz RKCSMIWAOKCDKT-UHFFFAOYSA-N 1 0 387.868 1.431 20 0 GDADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@H](O)c2ccccc2Cl)C1 ZINC000190373922 530928812 /nfs/dbraw/zinc/92/88/12/530928812.db2.gz MNNDNQKHKNHQOH-YOEHRIQHSA-N 1 0 390.933 1.746 20 0 GDADRO C[C@@H](C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[C@H](C)[NH3+] ZINC000192031699 530960008 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C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000120908042 530947379 /nfs/dbraw/zinc/94/73/79/530947379.db2.gz BKLUQQDVIQYFIH-CJNGLKHVSA-N 1 0 387.933 1.759 20 0 GDADRO C[N@@H+]1CCCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000121107288 530950828 /nfs/dbraw/zinc/95/08/28/530950828.db2.gz BDKVKEBBWSEEKZ-UHFFFAOYSA-N 1 0 396.285 1.729 20 0 GDADRO Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1Br ZINC000191731806 530953342 /nfs/dbraw/zinc/95/33/42/530953342.db2.gz KIOVAQIWYANFCW-CQSZACIVSA-N 1 0 382.302 1.784 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000121452191 530957013 /nfs/dbraw/zinc/95/70/13/530957013.db2.gz AMIOBGNKCJTRHD-UHFFFAOYSA-N 1 0 385.921 1.246 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)C2CC[NH+](C3CC3)CC2)c(C)s1 ZINC000192791483 530973330 /nfs/dbraw/zinc/97/33/30/530973330.db2.gz WUDOLHBWHZINHE-UHFFFAOYSA-N 1 0 385.555 1.634 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000122841086 530976411 /nfs/dbraw/zinc/97/64/11/530976411.db2.gz HFGMTMWITCSULK-NSHDSACASA-N 1 0 391.896 1.930 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000193389150 530985355 /nfs/dbraw/zinc/98/53/55/530985355.db2.gz FJNUZTSQACBLFY-UHFFFAOYSA-N 1 0 379.251 1.795 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)c(Br)cn2)C1 ZINC000193081124 530979184 /nfs/dbraw/zinc/97/91/84/530979184.db2.gz JOVGGZAVUXJXGU-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)cc1Br ZINC000193223284 530981319 /nfs/dbraw/zinc/98/13/19/530981319.db2.gz UGAWHAYEXPBBMP-UHFFFAOYSA-N 1 0 376.276 1.519 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000193384595 530985518 /nfs/dbraw/zinc/98/55/18/530985518.db2.gz ZFKAGFDZXNOMFZ-LBPRGKRZSA-N 1 0 383.290 1.973 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000193266657 530982881 /nfs/dbraw/zinc/98/28/81/530982881.db2.gz DHIJKKUAAJQVMN-VIFPVBQESA-N 1 0 381.267 1.875 20 0 GDADRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cccc(I)c1 ZINC000123481868 530984169 /nfs/dbraw/zinc/98/41/69/530984169.db2.gz DGPNCVGYMKBFRL-LLVKDONJSA-N 1 0 380.251 1.793 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000123571942 530984757 /nfs/dbraw/zinc/98/47/57/530984757.db2.gz CRRLPAABQARAGY-GFCCVEGCSA-N 1 0 394.324 1.610 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc(F)c(C)cc2F)CC1 ZINC000122327733 530969629 /nfs/dbraw/zinc/96/96/29/530969629.db2.gz FQEDXTRRLOURMS-CYBMUJFWSA-N 1 0 375.485 1.825 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O)CC(C)C ZINC000122347545 530969657 /nfs/dbraw/zinc/96/96/57/530969657.db2.gz JBOWPOIUMAZZPW-HZPDHXFCSA-N 1 0 376.567 1.466 20 0 GDADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000193638633 530991005 /nfs/dbraw/zinc/99/10/05/530991005.db2.gz QKLSUVFVSSDFJG-TVQRCGJNSA-N 1 0 387.221 1.344 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Cc1ccc(Br)s1 ZINC000193691132 530991386 /nfs/dbraw/zinc/99/13/86/530991386.db2.gz WDXDSDWHGVCOKD-LLVKDONJSA-N 1 0 388.331 1.899 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(I)cn1 ZINC000194026411 530998503 /nfs/dbraw/zinc/99/85/03/530998503.db2.gz VZVPHLOAWDATAE-UHFFFAOYSA-N 1 0 390.225 1.035 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCC[NH2+]C1CCCCCC1 ZINC000124672613 530998257 /nfs/dbraw/zinc/99/82/57/530998257.db2.gz DPKWGIOYYBLRGV-UHFFFAOYSA-N 1 0 388.555 1.989 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)ncc1Br ZINC000193403865 530985856 /nfs/dbraw/zinc/98/58/56/530985856.db2.gz DRLGSVYEBICQPB-NWDGAFQWSA-N 1 0 381.274 1.786 20 0 GDADRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000123715146 530987246 /nfs/dbraw/zinc/98/72/46/530987246.db2.gz ZTKRUTKJGKSBTE-UHFFFAOYSA-N 1 0 381.420 1.645 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000193560641 530989280 /nfs/dbraw/zinc/98/92/80/530989280.db2.gz XJUUCKPVYDRLEB-HZMBPMFUSA-N 1 0 386.265 1.965 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000193585625 530989820 /nfs/dbraw/zinc/98/98/20/530989820.db2.gz FPOBOARZRHLCHA-LRDDRELGSA-N 1 0 385.917 1.995 20 0 GDADRO C[NH+](C)CCN(C(=O)NCCNS(=O)(=O)c1cccs1)C1CCCC1 ZINC000125507045 531007223 /nfs/dbraw/zinc/00/72/23/531007223.db2.gz RZPJNHOBIHWXCP-UHFFFAOYSA-N 1 0 388.559 1.542 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000194694514 531008844 /nfs/dbraw/zinc/00/88/44/531008844.db2.gz ZMRCQYMGMUIEKY-GFCCVEGCSA-N 1 0 386.265 1.919 20 0 GDADRO C[NH+]1CCC(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000125672841 531009321 /nfs/dbraw/zinc/00/93/21/531009321.db2.gz IXBFIZKDMZWUPD-UHFFFAOYSA-N 1 0 394.950 1.321 20 0 GDADRO Cc1cc(F)c(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1F ZINC000194766264 531009381 /nfs/dbraw/zinc/00/93/81/531009381.db2.gz LMQZIDSAVBFLDD-GFCCVEGCSA-N 1 0 375.441 1.281 20 0 GDADRO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](C)[NH3+] ZINC000194854598 531010498 /nfs/dbraw/zinc/01/04/98/531010498.db2.gz CXTIYIOQEAUXIF-GXFFZTMASA-N 1 0 388.331 1.764 20 0 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393.303 1.824 20 0 GDADRO C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)C[NH+](C)C ZINC000292484849 531358069 /nfs/dbraw/zinc/35/80/69/531358069.db2.gz WCLRVISZLKWOSB-SNVBAGLBSA-N 1 0 377.304 1.780 20 0 GDADRO CS(=O)(=O)NCC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278417373 531358949 /nfs/dbraw/zinc/35/89/49/531358949.db2.gz SOUUBTGMOJWSIP-UHFFFAOYSA-N 1 0 382.404 1.730 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](C)C2)cc[nH+]1 ZINC000349585485 531359884 /nfs/dbraw/zinc/35/98/84/531359884.db2.gz CVAHTWFCOCNRHW-CYBMUJFWSA-N 1 0 375.516 1.005 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N(CCO)CCOCC(F)(F)F)c1ccsc1 ZINC000266683368 531362457 /nfs/dbraw/zinc/36/24/57/531362457.db2.gz RPOKPFLOPYYRKI-ZDUSSCGKSA-N 1 0 383.436 1.934 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000278457735 531362482 /nfs/dbraw/zinc/36/24/82/531362482.db2.gz GYJGILIVEWJBSI-LBPRGKRZSA-N 1 0 385.306 1.234 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000441617874 531362621 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NS(=O)(=O)c1ccc(C[NH2+]CC2(O)CCCCC2)cc1Br ZINC000414313818 531439104 /nfs/dbraw/zinc/43/91/04/531439104.db2.gz BWFLHLSHMZPXHK-UHFFFAOYSA-N 1 0 377.304 1.881 20 0 GDADRO CS(=O)(=O)Nc1ccc(OCC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000293719612 531439245 /nfs/dbraw/zinc/43/92/45/531439245.db2.gz VKMNGLACFAOGEH-ZBFHGGJFSA-N 1 0 390.527 1.382 20 0 GDADRO C[NH+](C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000485875983 531439467 /nfs/dbraw/zinc/43/94/67/531439467.db2.gz RYGSVVIWDWDDEN-UHFFFAOYSA-N 1 0 389.543 1.091 20 0 GDADRO CC[N@H+](CCNCc1ccc(S(N)(=O)=O)c(Br)c1)C(C)C ZINC000414330985 531440452 /nfs/dbraw/zinc/44/04/52/531440452.db2.gz CPYAKSCOBJICLT-UHFFFAOYSA-N 1 0 378.336 1.916 20 0 GDADRO CSCC[C@@H](CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414378355 531446121 /nfs/dbraw/zinc/44/61/21/531446121.db2.gz KSJOMWDCMABXQU-JTQLQIEISA-N 1 0 383.333 1.300 20 0 GDADRO C[NH+](C)CCCN(C(=O)CSCc1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC000267720844 531447273 /nfs/dbraw/zinc/44/72/73/531447273.db2.gz VDJAWGAXDBKKNK-INIZCTEOSA-N 1 0 385.555 1.282 20 0 GDADRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C[NH+](C)C ZINC000293838821 531447641 /nfs/dbraw/zinc/44/76/41/531447641.db2.gz DJCATOMGAKKIRD-LLVKDONJSA-N 1 0 381.420 1.298 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1Cl ZINC000414355471 531443531 /nfs/dbraw/zinc/44/35/31/531443531.db2.gz XLTUBDFJTHIWOG-SNVBAGLBSA-N 1 0 385.795 1.240 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)[C@@H](C[NH3+])C1 ZINC000293777925 531443627 /nfs/dbraw/zinc/44/36/27/531443627.db2.gz ZBWDWDAIDNWVAR-VHSXEESVSA-N 1 0 390.303 1.296 20 0 GDADRO COCCN(CCOC)S(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000360850389 531443851 /nfs/dbraw/zinc/44/38/51/531443851.db2.gz MLFJFPYULGLBNG-UHFFFAOYSA-N 1 0 377.551 1.213 20 0 GDADRO C[C@@](O)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(F)(F)F ZINC000414368304 531444904 /nfs/dbraw/zinc/44/49/04/531444904.db2.gz RNOQZZQEQOMKPS-SNVBAGLBSA-N 1 0 391.209 1.499 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000267699394 531445044 /nfs/dbraw/zinc/44/50/44/531445044.db2.gz ACJPGBQMQFRBOR-UHFFFAOYSA-N 1 0 385.408 1.663 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000486071951 531445650 /nfs/dbraw/zinc/44/56/50/531445650.db2.gz UOMMNBDVOPUQDR-DOMZBBRYSA-N 1 0 382.302 1.883 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1OC ZINC000279795472 531454533 /nfs/dbraw/zinc/45/45/33/531454533.db2.gz ORKWANANXKAJKV-LLVKDONJSA-N 1 0 378.878 1.308 20 0 GDADRO CN1C(=S)N=NC1CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000293983529 531455520 /nfs/dbraw/zinc/45/55/20/531455520.db2.gz BYEJKRFRTZSKTH-AWEZNQCLSA-N 1 0 384.303 1.399 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000267868955 531457563 /nfs/dbraw/zinc/45/75/63/531457563.db2.gz LDIMCDKOAAUPPF-NSHDSACASA-N 1 0 394.515 1.178 20 0 GDADRO C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000536072107 531448596 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531475247 /nfs/dbraw/zinc/47/52/47/531475247.db2.gz ZGERWIOBXIWZEE-ILXRZTDVSA-N 1 0 385.555 1.701 20 0 GDADRO O=C(Nc1cc(Br)ccc1N1CCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415326333 531475317 /nfs/dbraw/zinc/47/53/17/531475317.db2.gz KEDBHXGQUPMHCJ-GFCCVEGCSA-N 1 0 381.274 1.466 20 0 GDADRO C[NH+](C)CCOCCNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487562112 531475291 /nfs/dbraw/zinc/47/52/91/531475291.db2.gz RXUYOSUKUHCELA-UHFFFAOYSA-N 1 0 388.306 1.531 20 0 GDADRO Cn1ncc(Br)c1CNC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000487551474 531475318 /nfs/dbraw/zinc/47/53/18/531475318.db2.gz MWWLKPCRIOIUSY-LSDHHAIUSA-N 1 0 379.302 1.908 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415333171 531476780 /nfs/dbraw/zinc/47/67/80/531476780.db2.gz OGCRMWUWJNBFCK-FOSCPWQOSA-N 1 0 382.258 1.795 20 0 GDADRO O=C(Nc1cc(I)ccc1Cl)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415334480 531476907 /nfs/dbraw/zinc/47/69/07/531476907.db2.gz SKLUHNUDSQOTDN-MRVPVSSYSA-N 1 0 393.612 1.361 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415345957 531477225 /nfs/dbraw/zinc/47/72/25/531477225.db2.gz ZIJSIFMYGZUPGW-LLVKDONJSA-N 1 0 384.274 1.820 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000414682244 531461623 /nfs/dbraw/zinc/46/16/23/531461623.db2.gz RBFYYTVQMZORBX-NSHDSACASA-N 1 0 390.893 1.220 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000486910757 531464515 /nfs/dbraw/zinc/46/45/15/531464515.db2.gz YRAMFFDGJIRZIL-BYCMXARLSA-N 1 0 380.286 1.646 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000538177456 531466208 /nfs/dbraw/zinc/46/62/08/531466208.db2.gz VZFLXWOMFBUSCE-UHFFFAOYSA-N 1 0 399.195 1.711 20 0 GDADRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449128133 531466535 /nfs/dbraw/zinc/46/65/35/531466535.db2.gz YFWPVBHGTRYTID-UHFFFAOYSA-N 1 0 383.491 1.662 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000415192690 531466572 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[NH3+]C1CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)CC1 ZINC000415264750 531469380 /nfs/dbraw/zinc/46/93/80/531469380.db2.gz JKVMNAIQDLCRGH-UHFFFAOYSA-N 1 0 377.242 1.886 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000415266256 531469526 /nfs/dbraw/zinc/46/95/26/531469526.db2.gz GKSRJTMDBSWUTO-LLVKDONJSA-N 1 0 382.251 2.067 20 0 GDADRO O[C@@H]1COCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000449414652 531470092 /nfs/dbraw/zinc/47/00/92/531470092.db2.gz LKAFIFQPTXHAKT-ZDUSSCGKSA-N 1 0 377.222 1.753 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc(OC)c1Br ZINC000415351192 531477717 /nfs/dbraw/zinc/47/77/17/531477717.db2.gz HSOGMGUQLMWHBG-VIFPVBQESA-N 1 0 386.246 1.212 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000280068519 531470960 /nfs/dbraw/zinc/47/09/60/531470960.db2.gz POBXSNUACJBUMF-CYBMUJFWSA-N 1 0 375.516 1.028 20 0 GDADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(Cl)cc1I ZINC000415280778 531471338 /nfs/dbraw/zinc/47/13/38/531471338.db2.gz GZHVPLPOINSNMM-QMMMGPOBSA-N 1 0 383.617 1.728 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415295887 531472620 /nfs/dbraw/zinc/47/26/20/531472620.db2.gz SOYKIAGAPVFNLK-UHFFFAOYSA-N 1 0 381.601 1.348 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415295470 531472721 /nfs/dbraw/zinc/47/27/21/531472721.db2.gz AQJASRVFSFASCR-JTQLQIEISA-N 1 0 384.230 1.042 20 0 GDADRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000449602503 531473033 /nfs/dbraw/zinc/47/30/33/531473033.db2.gz OYTRBYHIIIFEDY-SECBINFHSA-N 1 0 392.237 1.923 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280163712 531477856 /nfs/dbraw/zinc/47/78/56/531477856.db2.gz QVBDKGVCPZDGTG-SDBXPKJASA-N 1 0 393.296 1.759 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000415379825 531480986 /nfs/dbraw/zinc/48/09/86/531480986.db2.gz OSRYYWSTUUMESU-NSHDSACASA-N 1 0 387.221 1.406 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000545984705 531493253 /nfs/dbraw/zinc/49/32/53/531493253.db2.gz OGCUFSAXCVZMBT-MELADBBJSA-N 1 0 389.543 1.620 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CCn1cc(Br)ccc1=O ZINC000488152194 531481258 /nfs/dbraw/zinc/48/12/58/531481258.db2.gz QBRSGZHBGXAHMW-CQSZACIVSA-N 1 0 388.306 1.474 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000415386889 531481442 /nfs/dbraw/zinc/48/14/42/531481442.db2.gz BLULOXHWJPRLDU-SNVBAGLBSA-N 1 0 375.803 1.990 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1Br ZINC000415382221 531481457 /nfs/dbraw/zinc/48/14/57/531481457.db2.gz RTKADVAFJKBSNT-ZDUSSCGKSA-N 1 0 383.290 1.317 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000280224733 531481725 /nfs/dbraw/zinc/48/17/25/531481725.db2.gz JXZSPAIPLBQGKW-UHFFFAOYSA-N 1 0 394.317 1.773 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)C1 ZINC000415396930 531482280 /nfs/dbraw/zinc/48/22/80/531482280.db2.gz QPFCMWWSGAPBBL-NSHDSACASA-N 1 0 384.274 1.773 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415402426 531483001 /nfs/dbraw/zinc/48/30/01/531483001.db2.gz VIRBWMBDFQINKT-SNVBAGLBSA-N 1 0 384.274 1.982 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cnn(C)c1I ZINC000294509736 531483018 /nfs/dbraw/zinc/48/30/18/531483018.db2.gz YQVXWGQKJCWHAB-SNVBAGLBSA-N 1 0 376.242 1.439 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc(F)c1I ZINC000415416687 531484088 /nfs/dbraw/zinc/48/40/88/531484088.db2.gz UGGVNLVQJDAYKT-QMMMGPOBSA-N 1 0 393.200 1.341 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000415412574 531484493 /nfs/dbraw/zinc/48/44/93/531484493.db2.gz HSQYVUOLKBBPIY-SNVBAGLBSA-N 1 0 392.283 1.929 20 0 GDADRO Cc1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1S(=O)(=O)NC1CC1 ZINC000415411300 531484498 /nfs/dbraw/zinc/48/44/98/531484498.db2.gz WLMRNWXUFOVRLF-GFCCVEGCSA-N 1 0 376.429 1.540 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2I)CC[NH2+]1 ZINC000415439530 531485841 /nfs/dbraw/zinc/48/58/41/531485841.db2.gz RDXHPSDQZLWLAH-QMMMGPOBSA-N 1 0 391.184 1.189 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[NH2+]1 ZINC000415433813 531486174 /nfs/dbraw/zinc/48/61/74/531486174.db2.gz MLMJVABWKVMUOD-JTQLQIEISA-N 1 0 377.242 1.756 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000415449842 531487047 /nfs/dbraw/zinc/48/70/47/531487047.db2.gz VWFQWNWIGBXYRS-GFCCVEGCSA-N 1 0 389.237 1.638 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccsc2Br)CC1 ZINC000450143073 531487805 /nfs/dbraw/zinc/48/78/05/531487805.db2.gz DQVWFHOLKWUOFG-LBPRGKRZSA-N 1 0 386.315 1.889 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1)C1CC1 ZINC000415457121 531487967 /nfs/dbraw/zinc/48/79/67/531487967.db2.gz SGEZKACVCZOBRE-AWEZNQCLSA-N 1 0 382.917 1.685 20 0 GDADRO C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000488718188 531488228 /nfs/dbraw/zinc/48/82/28/531488228.db2.gz LUSXNNCXTAWTMJ-UONOGXRCSA-N 1 0 385.302 1.989 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415467769 531488547 /nfs/dbraw/zinc/48/85/47/531488547.db2.gz VUZUJAIGSSSUMV-UHFFFAOYSA-N 1 0 386.246 1.418 20 0 GDADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545154353 531489310 /nfs/dbraw/zinc/48/93/10/531489310.db2.gz MDQHTOOQZMTYST-KRWDZBQOSA-N 1 0 380.286 1.964 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415470842 531489419 /nfs/dbraw/zinc/48/94/19/531489419.db2.gz YJLCDHUQRSDHBW-JQWIXIFHSA-N 1 0 384.274 1.982 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(Cc2nccn2C)C1=O ZINC000545302679 531490498 /nfs/dbraw/zinc/49/04/98/531490498.db2.gz GFMNMSRLGISZIW-OCCSQVGLSA-N 1 0 395.305 1.548 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1OC ZINC000415539780 531492841 /nfs/dbraw/zinc/49/28/41/531492841.db2.gz WOUWQXXWACVFJZ-JTQLQIEISA-N 1 0 386.246 1.258 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 ZINC000415356820 531478297 /nfs/dbraw/zinc/47/82/97/531478297.db2.gz GCNRJOQITFZSAW-UHFFFAOYSA-N 1 0 380.246 1.217 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415662278 531510852 /nfs/dbraw/zinc/51/08/52/531510852.db2.gz RHCPDHUDCARTCN-XCBNKYQSSA-N 1 0 376.201 1.780 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2cncc(Br)c2)(N2CCOCC2)CC1 ZINC000581712852 531511087 /nfs/dbraw/zinc/51/10/87/531511087.db2.gz MHKPATLFLURBCS-UHFFFAOYSA-N 1 0 397.317 1.371 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)c2ccccc2O1 ZINC000363850179 531511642 /nfs/dbraw/zinc/51/16/42/531511642.db2.gz XXMBWOKAUOYWFO-KBPBESRZSA-N 1 0 384.523 1.263 20 0 GDADRO CC[NH+]1CCN(Cc2ccc(CNS(=O)(=O)c3cscn3)cc2)CC1 ZINC000581723803 531512032 /nfs/dbraw/zinc/51/20/32/531512032.db2.gz YKEPSNNSHGMLNJ-UHFFFAOYSA-N 1 0 380.539 1.759 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)c2ccccc2O1 ZINC000363850185 531512051 /nfs/dbraw/zinc/51/20/51/531512051.db2.gz XXMBWOKAUOYWFO-ZIAGYGMSSA-N 1 0 384.523 1.263 20 0 GDADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489886729 531512267 /nfs/dbraw/zinc/51/22/67/531512267.db2.gz UCEDYEXOFHVWEK-CZUORRHYSA-N 1 0 381.318 1.756 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1Br ZINC000415673182 531512210 /nfs/dbraw/zinc/51/22/10/531512210.db2.gz GFCWQOYTQZJIRN-LLVKDONJSA-N 1 0 384.274 1.984 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415676713 531512667 /nfs/dbraw/zinc/51/26/67/531512667.db2.gz SQEYTQIROWYDMO-AOOOYVTPSA-N 1 0 379.873 1.418 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000280579203 531513087 /nfs/dbraw/zinc/51/30/87/531513087.db2.gz RWYSFYFCICHSNL-ZDUSSCGKSA-N 1 0 380.290 1.381 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363864356 531513851 /nfs/dbraw/zinc/51/38/51/531513851.db2.gz WLQNXROZCDHLLG-STQMWFEESA-N 1 0 389.283 1.930 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415681704 531514177 /nfs/dbraw/zinc/51/41/77/531514177.db2.gz ACSNDIQJBWVXNF-MRXNPFEDSA-N 1 0 384.274 1.984 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000658540710 531514855 /nfs/dbraw/zinc/51/48/55/531514855.db2.gz XOYQSGOVFTXLIQ-UHFFFAOYSA-N 1 0 376.201 1.686 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1CS(=O)(=O)NC)CC(C)C ZINC000489923877 531515099 /nfs/dbraw/zinc/51/50/99/531515099.db2.gz OVHPNEVEPYCSTK-JKSUJKDBSA-N 1 0 376.567 1.466 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000415698977 531515404 /nfs/dbraw/zinc/51/54/04/531515404.db2.gz ZQLJOBUTBZTVPW-AWEZNQCLSA-N 1 0 387.221 1.427 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000581853547 531519713 /nfs/dbraw/zinc/51/97/13/531519713.db2.gz JKFJXYMODSJFDL-UHFFFAOYSA-N 1 0 376.404 1.872 20 0 GDADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415713283 531518379 /nfs/dbraw/zinc/51/83/79/531518379.db2.gz RVUDTAAVSAVRJE-GFCCVEGCSA-N 1 0 399.264 1.033 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000581833143 531518501 /nfs/dbraw/zinc/51/85/01/531518501.db2.gz DJAKZEQSAWUNEV-RYUDHWBXSA-N 1 0 377.919 1.105 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000415711518 531518574 /nfs/dbraw/zinc/51/85/74/531518574.db2.gz SMUXYFDAUPRJBL-HNNXBMFYSA-N 1 0 395.301 1.202 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2cccc(Br)c2C)CC[NH2+]CC1 ZINC000415713948 531518598 /nfs/dbraw/zinc/51/85/98/531518598.db2.gz WNLSCUBCOLIYEV-UHFFFAOYSA-N 1 0 398.301 1.828 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415559379 531494687 /nfs/dbraw/zinc/49/46/87/531494687.db2.gz GBLRGLUFKNFYQO-UHFFFAOYSA-N 1 0 395.628 1.738 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000415560067 531494765 /nfs/dbraw/zinc/49/47/65/531494765.db2.gz MBOUPKFNVXGKPB-UHFFFAOYSA-N 1 0 387.221 1.536 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415567291 531495359 /nfs/dbraw/zinc/49/53/59/531495359.db2.gz JPGMKRSLIOXRSS-GHMZBOCLSA-N 1 0 384.274 1.982 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 ZINC000635557164 531496680 /nfs/dbraw/zinc/49/66/80/531496680.db2.gz NLNRQYTXAWMESU-GFCCVEGCSA-N 1 0 385.452 1.143 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415575087 531496676 /nfs/dbraw/zinc/49/66/76/531496676.db2.gz PEACTLNUFFVKLO-VHSXEESVSA-N 1 0 398.257 1.370 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657889984 531497254 /nfs/dbraw/zinc/49/72/54/531497254.db2.gz UCOQPWHSJYPPRS-QGZVFWFLSA-N 1 0 383.583 1.998 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000415585972 531498487 /nfs/dbraw/zinc/49/84/87/531498487.db2.gz XVNVWBMRAJZYIA-KOLCDFICSA-N 1 0 381.274 1.856 20 0 GDADRO COC[C@@H](CC1CCOCC1)[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000657953369 531498619 /nfs/dbraw/zinc/49/86/19/531498619.db2.gz PBDPVOCXVNYJMP-GOSISDBHSA-N 1 0 376.563 1.858 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NCC2=CC[NH2+]CC2)cc1Br ZINC000415594049 531499466 /nfs/dbraw/zinc/49/94/66/531499466.db2.gz HRXLWZJIUXSNBB-UHFFFAOYSA-N 1 0 382.258 1.822 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415593758 531499670 /nfs/dbraw/zinc/49/96/70/531499670.db2.gz JZVIWRQMTDHSBM-KRWDZBQOSA-N 1 0 396.285 1.917 20 0 GDADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000581596741 531501408 /nfs/dbraw/zinc/50/14/08/531501408.db2.gz ONYOKNSPTSDXDH-ZIAGYGMSSA-N 1 0 388.917 1.985 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)CCO1 ZINC000415603763 531501680 /nfs/dbraw/zinc/50/16/80/531501680.db2.gz UTKJYDLARGYWDW-LLVKDONJSA-N 1 0 392.253 1.727 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415605838 531502415 /nfs/dbraw/zinc/50/24/15/531502415.db2.gz XSLWQDNWYRRGIX-ZCFIWIBFSA-N 1 0 379.052 1.614 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000280484648 531502741 /nfs/dbraw/zinc/50/27/41/531502741.db2.gz AJTNBJXTBFTBTG-UHFFFAOYSA-N 1 0 388.251 1.929 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000415606894 531503236 /nfs/dbraw/zinc/50/32/36/531503236.db2.gz RZOIMPNMYJQYSY-MRXNPFEDSA-N 1 0 382.258 1.608 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)C[NH+](C)C ZINC000490050043 531519028 /nfs/dbraw/zinc/51/90/28/531519028.db2.gz POSVKAPAGJUWKA-LLVKDONJSA-N 1 0 382.935 1.361 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000581608369 531503828 /nfs/dbraw/zinc/50/38/28/531503828.db2.gz ZKVBSENVSOOHML-SKDRFNHKSA-N 1 0 388.693 1.962 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415620016 531504268 /nfs/dbraw/zinc/50/42/68/531504268.db2.gz UBLAPTVOTSEFRN-MADCSZMMSA-N 1 0 376.201 1.780 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000415618020 531504854 /nfs/dbraw/zinc/50/48/54/531504854.db2.gz QZEKXOMVRWJNPV-ZWNOBZJWSA-N 1 0 384.274 1.901 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415627157 531504889 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CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415664922 531510319 /nfs/dbraw/zinc/51/03/19/531510319.db2.gz USDGXZRGSQWPDF-ZYHUDNBSSA-N 1 0 384.274 1.901 20 0 GDADRO O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1C[NH2+]CCC1(F)F ZINC000581873620 531520360 /nfs/dbraw/zinc/52/03/60/531520360.db2.gz LPOPTMXCMOSKEH-CYBMUJFWSA-N 1 0 375.803 1.950 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000415725518 531520518 /nfs/dbraw/zinc/52/05/18/531520518.db2.gz MSRVFTSGLMUVQP-HNNXBMFYSA-N 1 0 395.301 1.202 20 0 GDADRO C[NH+](C)CC1(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000635920091 531521907 /nfs/dbraw/zinc/52/19/07/531521907.db2.gz VUEQKLBGJMJVPF-UHFFFAOYSA-N 1 0 394.324 1.730 20 0 GDADRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(S(N)(=O)=O)c2)cc1 ZINC000581879623 531522234 /nfs/dbraw/zinc/52/22/34/531522234.db2.gz SPVGYEVUDKGWRE-AWEZNQCLSA-N 1 0 382.507 1.585 20 0 GDADRO CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)CSCC[NH+](CC)CC)cn1 ZINC000490283568 531524531 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GDADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)C(F)(F)F ZINC000415717933 531519880 /nfs/dbraw/zinc/51/98/80/531519880.db2.gz FNADNANDFLEMGJ-NWDGAFQWSA-N 1 0 388.456 1.016 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415829309 531537127 /nfs/dbraw/zinc/53/71/27/531537127.db2.gz HAUCDSUJFDIPFX-JGVFFNPUSA-N 1 0 376.201 1.909 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000582163202 531537680 /nfs/dbraw/zinc/53/76/80/531537680.db2.gz DEVXWFNFLUESIR-LLVKDONJSA-N 1 0 384.893 1.623 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(I)ccc1F ZINC000268568761 531538283 /nfs/dbraw/zinc/53/82/83/531538283.db2.gz QUIQAOKRQBCLQS-LLVKDONJSA-N 1 0 391.228 1.406 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659076355 531538397 /nfs/dbraw/zinc/53/83/97/531538397.db2.gz CVIXVBKGSARAQH-QMMMGPOBSA-N 1 0 376.201 1.876 20 0 GDADRO CCc1nc(CN2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)cs1 ZINC000415996471 531553285 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0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659110938 531542027 /nfs/dbraw/zinc/54/20/27/531542027.db2.gz BDPXKBKKLMYYSG-QMMMGPOBSA-N 1 0 376.226 1.650 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000582231978 531543234 /nfs/dbraw/zinc/54/32/34/531543234.db2.gz XGMKHYQHALLDJA-UHFFFAOYSA-N 1 0 382.302 1.566 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000415854723 531543356 /nfs/dbraw/zinc/54/33/56/531543356.db2.gz XEMJOSDGSHRPEP-QWRGUYRKSA-N 1 0 387.889 1.125 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415849948 531543458 /nfs/dbraw/zinc/54/34/58/531543458.db2.gz GDOPEEQHYXPHQH-VXGBXAGGSA-N 1 0 381.274 1.631 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415849946 531543519 /nfs/dbraw/zinc/54/35/19/531543519.db2.gz GDOPEEQHYXPHQH-NWDGAFQWSA-N 1 0 381.274 1.631 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000415849819 531543657 /nfs/dbraw/zinc/54/36/57/531543657.db2.gz ZMAHERRVLDLILK-SNVBAGLBSA-N 1 0 398.179 1.792 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC000415852873 531543785 /nfs/dbraw/zinc/54/37/85/531543785.db2.gz SAZDIOBQUAIHPV-WDEREUQCSA-N 1 0 384.274 1.840 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cccc(Br)c1Cl ZINC000415858905 531545098 /nfs/dbraw/zinc/54/50/98/531545098.db2.gz FRSVFDPXDRQLBQ-MRVPVSSYSA-N 1 0 376.638 1.146 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415869886 531545897 /nfs/dbraw/zinc/54/58/97/531545897.db2.gz OHYJRCAXUAURNJ-LBPRGKRZSA-N 1 0 384.274 1.963 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CCCO1 ZINC000415867557 531546434 /nfs/dbraw/zinc/54/64/34/531546434.db2.gz WXPMDJIIPSEEFA-JTQLQIEISA-N 1 0 377.775 1.456 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415865426 531546849 /nfs/dbraw/zinc/54/68/49/531546849.db2.gz IRSIXXWFDBRBPT-SNVBAGLBSA-N 1 0 381.889 1.999 20 0 GDADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415876168 531548639 /nfs/dbraw/zinc/54/86/39/531548639.db2.gz ZWZRUPBKZYDVRK-VIFPVBQESA-N 1 0 376.201 1.924 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000415897287 531549346 /nfs/dbraw/zinc/54/93/46/531549346.db2.gz PNVMTYNNYOHMJV-UHFFFAOYSA-N 1 0 388.237 1.147 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415884685 531549781 /nfs/dbraw/zinc/54/97/81/531549781.db2.gz DMANSQWHMRMEGZ-RYUDHWBXSA-N 1 0 396.285 1.854 20 0 GDADRO C[C@H](C(=O)NC(=O)NC1CC1)N(C)C[C@H](O)c1ccccc1Br ZINC000295257815 531550036 /nfs/dbraw/zinc/55/00/36/531550036.db2.gz GOZQNWYDMSEZRY-YGRLFVJLSA-N 1 0 384.274 1.791 20 0 GDADRO CC(=O)N[C@H](CC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000364306664 531553614 /nfs/dbraw/zinc/55/36/14/531553614.db2.gz WDFABCXQPSHFHO-LSDHHAIUSA-N 1 0 384.274 1.203 20 0 GDADRO COC(=O)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)Oc1ccc(Br)cc1 ZINC000551985103 531551302 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Cc1cc(I)ccc1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000415793858 531533167 /nfs/dbraw/zinc/53/31/67/531533167.db2.gz VBTKFVOHSKRPMK-UHFFFAOYSA-N 1 0 387.221 1.486 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658961032 531534201 /nfs/dbraw/zinc/53/42/01/531534201.db2.gz ZUQCFPYPERPCOD-HIFRSBDPSA-N 1 0 385.555 1.653 20 0 GDADRO C[C@@H]1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000658972464 531534502 /nfs/dbraw/zinc/53/45/02/531534502.db2.gz TUPYQHMPLILDQC-MFKMUULPSA-N 1 0 375.288 1.419 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000658966208 531534795 /nfs/dbraw/zinc/53/47/95/531534795.db2.gz NGUQJTPUJZIEMC-HUUCEWRRSA-N 1 0 379.507 1.613 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)CCCC1 ZINC000659684924 531553133 /nfs/dbraw/zinc/55/31/33/531553133.db2.gz MOZLSBMTKHIINZ-UHFFFAOYSA-N 1 0 375.803 1.945 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000280879646 531553215 /nfs/dbraw/zinc/55/32/15/531553215.db2.gz NCMPYDWDUURTNZ-YVLXSGLVSA-N 1 0 395.301 1.900 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1OC ZINC000415818994 531535573 /nfs/dbraw/zinc/53/55/73/531535573.db2.gz XONKXCOJQCTMRO-SKDRFNHKSA-N 1 0 398.257 1.225 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@H]1CCSC1 ZINC000268561685 531536640 /nfs/dbraw/zinc/53/66/40/531536640.db2.gz YJPSYYOFQKAUNT-CQSZACIVSA-N 1 0 385.555 1.460 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415813445 531536550 /nfs/dbraw/zinc/53/65/50/531536550.db2.gz UMTCDFCFUBYZMT-RNFRBKRXSA-N 1 0 390.209 1.165 20 0 GDADRO CC(C)(C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1I ZINC000582844906 531555752 /nfs/dbraw/zinc/55/57/52/531555752.db2.gz SIQZTZMCXQOPQT-UHFFFAOYSA-N 1 0 388.658 1.960 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000552713034 531556595 /nfs/dbraw/zinc/55/65/95/531556595.db2.gz FWHYLYIGWVEJFI-GJZGRUSLSA-N 1 0 385.555 1.749 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCSc3ccccc3Br)CCN2C1=O ZINC000582976824 531558947 /nfs/dbraw/zinc/55/89/47/531558947.db2.gz UXRVQPZPUNJYNT-AAEUAGOBSA-N 1 0 398.326 1.702 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c(C)s1 ZINC000280937556 531559152 /nfs/dbraw/zinc/55/91/52/531559152.db2.gz HOJUVCQJUMXSAE-KBPBESRZSA-N 1 0 394.584 1.589 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N[C@]3(C)CC[NH2+]C3)C2=O)ccc1Br ZINC000612902173 531559996 /nfs/dbraw/zinc/55/99/96/531559996.db2.gz RBXXQRUUTORODO-WMLDXEAASA-N 1 0 395.301 1.914 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N[C@@]3(C)CC[NH2+]C3)C2=O)ccc1Br ZINC000612902175 531560684 /nfs/dbraw/zinc/56/06/84/531560684.db2.gz RBXXQRUUTORODO-YOEHRIQHSA-N 1 0 395.301 1.914 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000558476335 531564223 /nfs/dbraw/zinc/56/42/23/531564223.db2.gz MBOXOGGSCVOHCK-UHFFFAOYSA-N 1 0 379.885 1.672 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000613521547 531567546 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GDADRO COC(=O)Cn1cc(C[NH2+]C(C)(C)[C@H](O)c2ccc(Br)cc2)nn1 ZINC000295390123 531572153 /nfs/dbraw/zinc/57/21/53/531572153.db2.gz LGPWULNZSWHRHM-OAHLLOKOSA-N 1 0 397.273 1.815 20 0 GDADRO CC(C)[C@H]1CN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC[N@@H+]1C ZINC000613966550 531579750 /nfs/dbraw/zinc/57/97/50/531579750.db2.gz BORXNNMWBLXWNZ-OAHLLOKOSA-N 1 0 393.289 1.837 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000493875754 531581698 /nfs/dbraw/zinc/58/16/98/531581698.db2.gz RETJWWANADFPOK-BETUJISGSA-N 1 0 386.327 1.719 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1OC ZINC000583500286 531581291 /nfs/dbraw/zinc/58/12/91/531581291.db2.gz RZFSTKDCBFMMTB-SKDRFNHKSA-N 1 0 376.862 1.412 20 0 GDADRO CN(C)C(=O)O[C@H]1CCCN(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000295459603 531583250 /nfs/dbraw/zinc/58/32/50/531583250.db2.gz FLABWYMHMSKUIX-LBPRGKRZSA-N 1 0 385.262 1.945 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C2 ZINC000614039023 531584789 /nfs/dbraw/zinc/58/47/89/531584789.db2.gz KBZYJWYEBBLSRP-CQSZACIVSA-N 1 0 383.539 1.455 20 0 GDADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614064355 531588337 /nfs/dbraw/zinc/58/83/37/531588337.db2.gz OHBHQMZZPPVTAZ-CQSZACIVSA-N 1 0 382.814 1.779 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000268920684 531588483 /nfs/dbraw/zinc/58/84/83/531588483.db2.gz JZXJOUHULOUMIW-CYBMUJFWSA-N 1 0 381.274 1.223 20 0 GDADRO CN(C(=O)CNC(=O)c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583692705 531589692 /nfs/dbraw/zinc/58/96/92/531589692.db2.gz XDONNLRUTBBFCU-YIONKMFJSA-N 1 0 380.286 1.920 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000583683094 531589886 /nfs/dbraw/zinc/58/98/86/531589886.db2.gz LZCFJIAMGUKFAK-OAHLLOKOSA-N 1 0 393.285 1.773 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@H]2CNC(=O)C2)C1 ZINC000660034833 531590350 /nfs/dbraw/zinc/59/03/50/531590350.db2.gz WXEMTBJHBIUJBP-VXGBXAGGSA-N 1 0 381.274 1.631 20 0 GDADRO CN1CCN(C(=O)c2ncc(Br)cc2Br)[C@@H](C[NH3+])C1 ZINC000583751765 531592320 /nfs/dbraw/zinc/59/23/20/531592320.db2.gz WKAIIQVDOYAQIS-VIFPVBQESA-N 1 0 392.095 1.322 20 0 GDADRO CCOC(=O)c1ccc(CS(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000451346545 531594809 /nfs/dbraw/zinc/59/48/09/531594809.db2.gz FFLLWAKJTCYMRX-HZPDHXFCSA-N 1 0 386.539 1.671 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000583800493 531596000 /nfs/dbraw/zinc/59/60/00/531596000.db2.gz FNNCBDZWQVJCBC-LBPRGKRZSA-N 1 0 398.305 1.802 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)cc2[nH]cnc21 ZINC000614502834 531598210 /nfs/dbraw/zinc/59/82/10/531598210.db2.gz CNLMPLTVYVLDDA-GFCCVEGCSA-N 1 0 378.274 1.445 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000364810733 531599042 /nfs/dbraw/zinc/59/90/42/531599042.db2.gz LSDXACHVIIELHK-OAHLLOKOSA-N 1 0 387.933 1.749 20 0 GDADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660089318 531603125 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C[NH2+][C@H]1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000269121213 531612165 /nfs/dbraw/zinc/61/21/65/531612165.db2.gz JTMXECOHVQHAOV-JTQLQIEISA-N 1 0 380.297 1.482 20 0 GDADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)c(O)c1 ZINC000584052505 531610076 /nfs/dbraw/zinc/61/00/76/531610076.db2.gz NZRDWNIMSYUSJM-CJNGLKHVSA-N 1 0 396.285 1.531 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000269107132 531610703 /nfs/dbraw/zinc/61/07/03/531610703.db2.gz CCAMMNISEMJXLU-AWEZNQCLSA-N 1 0 385.917 1.949 20 0 GDADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000416437706 531615809 /nfs/dbraw/zinc/61/58/09/531615809.db2.gz HZIZYEURRDCBAO-NWDGAFQWSA-N 1 0 392.930 1.793 20 0 GDADRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000494658195 531615945 /nfs/dbraw/zinc/61/59/45/531615945.db2.gz WVTSJHMQCRHWFC-HUUCEWRRSA-N 1 0 388.555 1.351 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000281419535 531616089 /nfs/dbraw/zinc/61/60/89/531616089.db2.gz FWAGNWQHGSLDQC-UHFFFAOYSA-N 1 0 389.543 1.043 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000365099584 531618855 /nfs/dbraw/zinc/61/88/55/531618855.db2.gz AIVITRCZHPYDOV-CQSZACIVSA-N 1 0 385.917 1.705 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 ZINC000416437850 531616168 /nfs/dbraw/zinc/61/61/68/531616168.db2.gz NHFGUSQIBFBWJN-OAHLLOKOSA-N 1 0 382.592 1.487 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](O)COC ZINC000295744943 531621190 /nfs/dbraw/zinc/62/11/90/531621190.db2.gz PDQFLONNJVHNNB-MFKMUULPSA-N 1 0 375.263 1.059 20 0 GDADRO CC(C)NC(=O)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000584524633 531621733 /nfs/dbraw/zinc/62/17/33/531621733.db2.gz ZSOVNODBKOONHR-UHFFFAOYSA-N 1 0 377.304 1.727 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000269194696 531621861 /nfs/dbraw/zinc/62/18/61/531621861.db2.gz ZARXCXUZVXABCD-JTQLQIEISA-N 1 0 375.288 1.582 20 0 GDADRO CO[C@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)C1(C)C ZINC000451485906 531625007 /nfs/dbraw/zinc/62/50/07/531625007.db2.gz DGXDDDDMICXRTP-KGLIPLIRSA-N 1 0 398.301 1.907 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000584538129 531623608 /nfs/dbraw/zinc/62/36/08/531623608.db2.gz HBFSXVSPOCIINP-UHFFFAOYSA-N 1 0 389.905 1.170 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)cc2c1OCCO2 ZINC000615658087 531624472 /nfs/dbraw/zinc/62/44/72/531624472.db2.gz CANYGPQNLDGMFO-CYBMUJFWSA-N 1 0 399.285 1.797 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c(Br)o1 ZINC000281504359 531626284 /nfs/dbraw/zinc/62/62/84/531626284.db2.gz LADXCNFQSKUHKW-UHFFFAOYSA-N 1 0 395.275 1.591 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Br ZINC000365203038 531627474 /nfs/dbraw/zinc/62/74/74/531627474.db2.gz WVHDGRPQCSRHMW-RYUDHWBXSA-N 1 0 397.273 1.070 20 0 GDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)C1 ZINC000660840934 531633310 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CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000269296436 531636639 /nfs/dbraw/zinc/63/66/39/531636639.db2.gz WDWZEXDMPCJVBT-CQSZACIVSA-N 1 0 392.319 1.590 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Br ZINC000365317346 531638606 /nfs/dbraw/zinc/63/86/06/531638606.db2.gz GCBSPBAIBLVZDD-KBPBESRZSA-N 1 0 396.285 1.675 20 0 GDADRO Cn1c(=O)cc(C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)n(C)c1=O ZINC000451563604 531638713 /nfs/dbraw/zinc/63/87/13/531638713.db2.gz DZDUQKMCQHUQKB-CYBMUJFWSA-N 1 0 378.270 1.836 20 0 GDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000498708237 531638838 /nfs/dbraw/zinc/63/88/38/531638838.db2.gz TYWBDDQAGQLOHG-LBPRGKRZSA-N 1 0 396.285 1.727 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000269303257 531639042 /nfs/dbraw/zinc/63/90/42/531639042.db2.gz YFULUQKFOMYMJB-INIZCTEOSA-N 1 0 381.523 1.940 20 0 GDADRO CC[NH2+][C@H](C)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000637884512 531640122 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ZINC000269426728 531667383 /nfs/dbraw/zinc/66/73/83/531667383.db2.gz NUJRDPMNTLXOHU-LBPRGKRZSA-N 1 0 383.905 1.197 20 0 GDADRO COC(=O)c1ncccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000416547689 531674277 /nfs/dbraw/zinc/67/42/77/531674277.db2.gz AHLFITJLBOSPOY-UHFFFAOYSA-N 1 0 383.495 1.682 20 0 GDADRO O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913555 531674766 /nfs/dbraw/zinc/67/47/66/531674766.db2.gz UXAOPRQEDJQEHR-STQMWFEESA-N 1 0 387.299 1.576 20 0 GDADRO C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000561004693 531675597 /nfs/dbraw/zinc/67/55/97/531675597.db2.gz GIIACMRNBDRUNN-VIFPVBQESA-N 1 0 382.251 1.826 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000662391636 531675754 /nfs/dbraw/zinc/67/57/54/531675754.db2.gz DNOCWCUZYJBZTG-LLVKDONJSA-N 1 0 379.262 1.496 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H](N)c2ccccc2Br)C1 ZINC000662437422 531677538 /nfs/dbraw/zinc/67/75/38/531677538.db2.gz DRCXXIWPOHDTOA-DOMZBBRYSA-N 1 0 397.317 1.153 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000638947868 531677884 /nfs/dbraw/zinc/67/78/84/531677884.db2.gz OWSJGYCNBALJJI-AULYBMBSSA-N 1 0 389.315 1.857 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H](N)c2ccccc2Br)C1 ZINC000662437425 531678582 /nfs/dbraw/zinc/67/85/82/531678582.db2.gz DRCXXIWPOHDTOA-SWLSCSKDSA-N 1 0 397.317 1.153 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000638945022 531678635 /nfs/dbraw/zinc/67/86/35/531678635.db2.gz AMFPBAXQONNQOU-CMPLNLGQSA-N 1 0 390.303 1.066 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639024385 531679975 /nfs/dbraw/zinc/67/99/75/531679975.db2.gz NZRSMZBHOCNOCE-DZGCQCFKSA-N 1 0 380.286 1.779 20 0 GDADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662450137 531680507 /nfs/dbraw/zinc/68/05/07/531680507.db2.gz HKGFUQLHMKKOCG-NSHDSACASA-N 1 0 379.507 1.874 20 0 GDADRO NS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000502496365 531681185 /nfs/dbraw/zinc/68/11/85/531681185.db2.gz QHXNMMGQMHKGJV-CHWSQXEVSA-N 1 0 377.413 1.413 20 0 GDADRO O=C(c1cc(Br)ccc1-n1cnnn1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662514686 531682234 /nfs/dbraw/zinc/68/22/34/531682234.db2.gz NVQLWTWTOFTQLK-OAHLLOKOSA-N 1 0 377.246 1.250 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cnc3N(C)C)[C@H]2C1 ZINC000502568335 531684188 /nfs/dbraw/zinc/68/41/88/531684188.db2.gz FQAAXEOKONOMFQ-LSDHHAIUSA-N 1 0 397.317 1.845 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662531135 531684728 /nfs/dbraw/zinc/68/47/28/531684728.db2.gz DMGNOFQBQVHWQL-QMTHXVAHSA-N 1 0 379.404 1.314 20 0 GDADRO C[C@@H]1CN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@H](C)C[NH2+]1 ZINC000561198527 531685412 /nfs/dbraw/zinc/68/54/12/531685412.db2.gz SACRBXHDMYCILX-MGPQQGTHSA-N 1 0 386.543 1.151 20 0 GDADRO O=C(NC[C@H]1CN2CCN1CC2)c1cc(F)ccc1I ZINC000269532168 531686527 /nfs/dbraw/zinc/68/65/27/531686527.db2.gz RISBOTRPDPDJMO-NSHDSACASA-N 1 0 389.212 1.160 20 0 GDADRO O=C(NCc1ccc(Br)cc1Cl)C(=O)NCC1CC[NH2+]CC1 ZINC000561234505 531686986 /nfs/dbraw/zinc/68/69/86/531686986.db2.gz ASBVKRRWKDVLRN-UHFFFAOYSA-N 1 0 388.693 1.835 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cnn4cc(Br)cnc34)[C@H]2C1 ZINC000639206309 531687067 /nfs/dbraw/zinc/68/70/67/531687067.db2.gz RGCHLDWOFLBYTQ-LSDHHAIUSA-N 1 0 380.290 1.787 20 0 GDADRO O=C(NCCCCSc1ccccc1Br)C(=O)NC1C[NH2+]C1 ZINC000561229930 531687110 /nfs/dbraw/zinc/68/71/10/531687110.db2.gz RYCONEQYHRZMLB-UHFFFAOYSA-N 1 0 386.315 1.526 20 0 GDADRO Cc1nc(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)sc1Br ZINC000561217814 531687172 /nfs/dbraw/zinc/68/71/72/531687172.db2.gz RKZQWQOYWKQYNC-LLVKDONJSA-N 1 0 388.335 1.403 20 0 GDADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000296367695 531688273 /nfs/dbraw/zinc/68/82/73/531688273.db2.gz JCKVBOFETAAYSN-HOTGVXAUSA-N 1 0 388.327 1.909 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)s1 ZINC000618549753 531688826 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GDADRO NS(=O)(=O)c1cc(Br)cnc1NC1CC[NH+](C2CC2)CC1 ZINC000504042180 531699095 /nfs/dbraw/zinc/69/90/95/531699095.db2.gz LHTXIHHUMZIYOL-UHFFFAOYSA-N 1 0 375.292 1.530 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)[C@@H](N)c3ccccc3Br)C[C@H]2[NH3+])cn1 ZINC000662580449 531689755 /nfs/dbraw/zinc/68/97/55/531689755.db2.gz RQVZKIXFUPXDIA-CFVMTHIKSA-N 1 0 378.274 1.136 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)[C@H](N)c3ccccc3Br)C[C@H]2[NH3+])cn1 ZINC000662580450 531690169 /nfs/dbraw/zinc/69/01/69/531690169.db2.gz RQVZKIXFUPXDIA-NWANDNLSSA-N 1 0 378.274 1.136 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000282001229 531690118 /nfs/dbraw/zinc/69/01/18/531690118.db2.gz RUXPJQUVUGILDJ-YGRLFVJLSA-N 1 0 384.893 1.527 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)C[C@H]1C[NH3+] ZINC000662573633 531690430 /nfs/dbraw/zinc/69/04/30/531690430.db2.gz IZUOPECCQKQUNL-WDEREUQCSA-N 1 0 379.262 1.482 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)c1ccsc1 ZINC000618647409 531691934 /nfs/dbraw/zinc/69/19/34/531691934.db2.gz AZGTZXVJNSTSFZ-CQSZACIVSA-N 1 0 375.560 1.965 20 0 GDADRO C[NH+]1CCC(n2ccc(N[C@@H](C(N)=O)c3ccc(Br)cc3)n2)CC1 ZINC000365978360 531700523 /nfs/dbraw/zinc/70/05/23/531700523.db2.gz AMPANDXUXYDENN-MRXNPFEDSA-N 1 0 392.301 2.551 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1Br ZINC000269677963 531710257 /nfs/dbraw/zinc/71/02/57/531710257.db2.gz SPNPWLZGGDTTMT-UHFFFAOYSA-N 1 0 390.303 1.312 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000662942606 531701777 /nfs/dbraw/zinc/70/17/77/531701777.db2.gz XVQHATDZNRHGFE-SNVBAGLBSA-N 1 0 378.420 1.675 20 0 GDADRO O=C(CC[NH+]1CCN(Cc2nnc[nH]2)CC1)Nc1ccc(Br)cc1 ZINC000639721808 531702686 /nfs/dbraw/zinc/70/26/86/531702686.db2.gz MEPXGZALZKXGSV-UHFFFAOYSA-N 1 0 393.289 1.714 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000662949189 531702717 /nfs/dbraw/zinc/70/27/17/531702717.db2.gz ABXNPJUGXNMTGP-GFCCVEGCSA-N 1 0 385.295 1.449 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000662939184 531702731 /nfs/dbraw/zinc/70/27/31/531702731.db2.gz KYFWZFKVPUTMRD-UHFFFAOYSA-N 1 0 398.326 1.951 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000296535828 531703097 /nfs/dbraw/zinc/70/30/97/531703097.db2.gz QRMHRCVFUDNPCU-UKRRQHHQSA-N 1 0 389.543 1.205 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000662963476 531703493 /nfs/dbraw/zinc/70/34/93/531703493.db2.gz PYHUUSKEUVDMEU-GHMZBOCLSA-N 1 0 377.304 1.583 20 0 GDADRO COc1ccc(Br)c(CS(=O)(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000451881831 531704186 /nfs/dbraw/zinc/70/41/86/531704186.db2.gz ZQNWJWJRCKWMGW-XHDPSFHLSA-N 1 0 389.315 1.923 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000662970156 531704392 /nfs/dbraw/zinc/70/43/92/531704392.db2.gz NIDJZOANYDRMNC-UHFFFAOYSA-N 1 0 385.295 1.592 20 0 GDADRO CC(=O)N1CCN(C(=O)C[NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000282114064 531707205 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1.821 20 0 GDADRO COC[C@](C)(CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000639955594 531713264 /nfs/dbraw/zinc/71/32/64/531713264.db2.gz PXTDYUIHQNTEDK-RISCZKNCSA-N 1 0 382.682 1.829 20 0 GDADRO Cc1cc(Br)c(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)s1 ZINC000269686307 531713277 /nfs/dbraw/zinc/71/32/77/531713277.db2.gz HPJBMORSMZVSED-UHFFFAOYSA-N 1 0 397.360 1.944 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1nnc(C2CC2)s1 ZINC000416627367 531713696 /nfs/dbraw/zinc/71/36/96/531713696.db2.gz FEYMDEKNNMWVHQ-UHFFFAOYSA-N 1 0 384.531 1.269 20 0 GDADRO C[C@@H](CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)[NH+](C)C ZINC000451923623 531715648 /nfs/dbraw/zinc/71/56/48/531715648.db2.gz CFGGJVZFJXGEEW-XJKSGUPXSA-N 1 0 387.933 1.814 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000269690852 531716023 /nfs/dbraw/zinc/71/60/23/531716023.db2.gz INTDXXVAPWIYJW-LBPRGKRZSA-N 1 0 376.862 1.078 20 0 GDADRO COC[C@]1(CO)CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000451934047 531718539 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C[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000562147954 531736822 /nfs/dbraw/zinc/73/68/22/531736822.db2.gz VPUGEBKJDCGHDN-GHMZBOCLSA-N 1 0 394.324 1.871 20 0 GDADRO CNS(=O)(=O)CCN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000621246436 531738768 /nfs/dbraw/zinc/73/87/68/531738768.db2.gz AUAIPVNCILSZMX-UHFFFAOYSA-N 1 0 379.448 1.762 20 0 GDADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000366371268 531739498 /nfs/dbraw/zinc/73/94/98/531739498.db2.gz SEJXBYOKUPGOHM-GFCCVEGCSA-N 1 0 398.428 1.401 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000366348460 531740720 /nfs/dbraw/zinc/74/07/20/531740720.db2.gz RXTBZTRIXVYYHN-CABCVRRESA-N 1 0 385.555 1.749 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000416833814 531741732 /nfs/dbraw/zinc/74/17/32/531741732.db2.gz RIXNOCFHNBKICY-ZDUSSCGKSA-N 1 0 399.289 1.374 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)NCCN3CC[NH2+]CC3)s2)cs1 ZINC000416910014 531743612 /nfs/dbraw/zinc/74/36/12/531743612.db2.gz LHIFBMZHVDMKPT-UHFFFAOYSA-N 1 0 379.555 1.927 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C[NH3+])CC(C)C)s1 ZINC000416912965 531743835 /nfs/dbraw/zinc/74/38/35/531743835.db2.gz JYCXLVXNBLEQST-ZDUSSCGKSA-N 1 0 390.575 1.951 20 0 GDADRO COc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc(Br)c1OC ZINC000640322024 531745038 /nfs/dbraw/zinc/74/50/38/531745038.db2.gz SWXKPQFCFNRRSF-GFCCVEGCSA-N 1 0 387.274 1.653 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000562334630 531747330 /nfs/dbraw/zinc/74/73/30/531747330.db2.gz ZZMCRBJGKHSCSZ-HIFRSBDPSA-N 1 0 376.473 1.727 20 0 GDADRO COC(=O)[C@]12C[N@H+](C[C@H](O)c3cccc(Br)c3)C[C@H]1COCC2 ZINC000366479978 531748899 /nfs/dbraw/zinc/74/88/99/531748899.db2.gz ZOYMSEDVURAYNA-JLJPHGGASA-N 1 0 384.270 1.994 20 0 GDADRO CCN(CC(=O)Nc1ccc(I)cc1)[C@@H]1CCNC1=O ZINC000282424499 531752714 /nfs/dbraw/zinc/75/27/14/531752714.db2.gz QZCUAGXLPSSBEL-GFCCVEGCSA-N 1 0 387.221 1.440 20 0 GDADRO O=C1NCCC[C@H]1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000666186851 531753362 /nfs/dbraw/zinc/75/33/62/531753362.db2.gz VTFOXPQSGSPXRX-GXFFZTMASA-N 1 0 387.299 1.783 20 0 GDADRO Cc1ccc(Br)cc1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000269783611 531755089 /nfs/dbraw/zinc/75/50/89/531755089.db2.gz PEYWWDJDFAVRRA-UHFFFAOYSA-N 1 0 377.304 1.493 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417202443 531756992 /nfs/dbraw/zinc/75/69/92/531756992.db2.gz BIAXTZFNYWDNOC-FZMZJTMJSA-N 1 0 383.290 1.476 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000366552736 531757048 /nfs/dbraw/zinc/75/70/48/531757048.db2.gz DPHZKYSNPXVSKV-CQSZACIVSA-N 1 0 391.269 1.417 20 0 GDADRO CC[C@]1(C(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)CC[NH2+]C1 ZINC000366545908 531757219 /nfs/dbraw/zinc/75/72/19/531757219.db2.gz LQKVOFDBZNQAQM-KRWDZBQOSA-N 1 0 385.555 1.588 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@H]1CC12CC[NH2+]CC2 ZINC000366558354 531757297 /nfs/dbraw/zinc/75/72/97/531757297.db2.gz VVKYSSRRAKRSNT-AWEZNQCLSA-N 1 0 394.269 1.433 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000452043541 531758206 /nfs/dbraw/zinc/75/82/06/531758206.db2.gz BOPYAOSOCWQXJJ-UHFFFAOYSA-N 1 0 382.555 1.991 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000640840531 531766648 /nfs/dbraw/zinc/76/66/48/531766648.db2.gz UVDHZQCJBGFNIV-ZDUSSCGKSA-N 1 0 392.301 1.851 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621840132 531759503 /nfs/dbraw/zinc/75/95/03/531759503.db2.gz DNVVTLZLIAOXGO-PXAZEXFGSA-N 1 0 396.285 1.414 20 0 GDADRO NS(=O)(=O)c1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000640748638 531759846 /nfs/dbraw/zinc/75/98/46/531759846.db2.gz PHKUODTYPXEVTE-BXUZGUMPSA-N 1 0 384.527 1.876 20 0 GDADRO CC(C)[NH+](CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccs1)C(C)C ZINC000508070087 531759886 /nfs/dbraw/zinc/75/98/86/531759886.db2.gz KGDWOQPDYYHPTP-CQSZACIVSA-N 1 0 375.560 1.992 20 0 GDADRO O=C(Cn1cc(CN2CC[NH2+]CC2)nn1)Nc1ccc(Br)cc1 ZINC000640753955 531760756 /nfs/dbraw/zinc/76/07/56/531760756.db2.gz FNXCOPIJCFRTSI-UHFFFAOYSA-N 1 0 379.262 1.085 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1)C2 ZINC000621844442 531761243 /nfs/dbraw/zinc/76/12/43/531761243.db2.gz RMHLIQPKCXJVNS-LKFCYVNXSA-N 1 0 376.404 1.160 20 0 GDADRO Brc1ccc(-c2nnc(Cn3cc(C[C@H]4CC[NH2+]C4)nn3)o2)o1 ZINC000640796002 531764617 /nfs/dbraw/zinc/76/46/17/531764617.db2.gz XAGBDJGWJBGKSZ-SECBINFHSA-N 1 0 379.218 1.884 20 0 GDADRO C[NH+](C)C1(CNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CCCC1 ZINC000269801109 531764740 /nfs/dbraw/zinc/76/47/40/531764740.db2.gz RACIWCWQLGLTPC-ZDUSSCGKSA-N 1 0 389.543 1.056 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)NCc1ccc(Br)cc1Cl ZINC000417340371 531766167 /nfs/dbraw/zinc/76/61/67/531766167.db2.gz METIUMFNPXSJNZ-UHFFFAOYSA-N 1 0 375.698 1.807 20 0 GDADRO Cc1cc(N2CCC[C@H](n3cc([C@@H]([NH3+])CO)nn3)C2=O)ccc1Br ZINC000641116803 531780306 /nfs/dbraw/zinc/78/03/06/531780306.db2.gz FZWWINVCLLANOO-ZFWWWQNUSA-N 1 0 394.273 1.709 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCO1 ZINC000667402598 531780361 /nfs/dbraw/zinc/78/03/61/531780361.db2.gz HQYUHDYSSXLZBN-RDDDGLTNSA-N 1 0 392.200 1.240 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1F ZINC000562841326 531783406 /nfs/dbraw/zinc/78/34/06/531783406.db2.gz ADNFREXJDKKTBW-LBPRGKRZSA-N 1 0 393.506 1.396 20 0 GDADRO C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2c(Cl)cnn2C)C[C@H](C)O1 ZINC000366835119 531783356 /nfs/dbraw/zinc/78/33/56/531783356.db2.gz MQQFKSRWRDRVGH-FRRDWIJNSA-N 1 0 376.910 1.336 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccsc1Br ZINC000282659647 531782413 /nfs/dbraw/zinc/78/24/13/531782413.db2.gz GFQWKJVFVWNTJB-LLVKDONJSA-N 1 0 389.319 1.650 20 0 GDADRO CCc1nc([C@@H](C)NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000417599388 531782484 /nfs/dbraw/zinc/78/24/84/531782484.db2.gz HOQHFKHEPLOSCR-PWSUYJOCSA-N 1 0 379.452 1.902 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1C(F)(F)F ZINC000592367535 531782704 /nfs/dbraw/zinc/78/27/04/531782704.db2.gz RUCORJKSUGHIAB-JTQLQIEISA-N 1 0 380.388 1.912 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000562615166 531768575 /nfs/dbraw/zinc/76/85/75/531768575.db2.gz SBPHAJTZTYMFGN-NSHDSACASA-N 1 0 382.404 1.816 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417431841 531769151 /nfs/dbraw/zinc/76/91/51/531769151.db2.gz GJVHISOQLBWOPF-OLZOCXBDSA-N 1 0 397.317 1.948 20 0 GDADRO CCCCN(C(=O)C[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC)[C@@H]1CCS(=O)(=O)C1 ZINC000592170086 531770144 /nfs/dbraw/zinc/77/01/44/531770144.db2.gz VPBPFULFXUHVAY-ANQUJSFKSA-N 1 0 392.587 1.301 20 0 GDADRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000562686881 531770893 /nfs/dbraw/zinc/77/08/93/531770893.db2.gz NIMZOEYPSUQYDK-SCDSUCTJSA-N 1 0 380.666 1.846 20 0 GDADRO C[C@H](C(=O)Nc1cccc(Br)c1)n1cc(CN2CC[NH2+]CC2)nn1 ZINC000640882271 531771204 /nfs/dbraw/zinc/77/12/04/531771204.db2.gz VYPWAHDNZBZDTM-GFCCVEGCSA-N 1 0 393.289 1.646 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417438531 531771393 /nfs/dbraw/zinc/77/13/93/531771393.db2.gz UBPCBRMFNRLLHR-SWLSCSKDSA-N 1 0 397.317 1.866 20 0 GDADRO C[C@H]1CN(C(=O)NCCNC(=O)c2cccc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000417444583 531772758 /nfs/dbraw/zinc/77/27/58/531772758.db2.gz YQDKENIFLVCIQY-RYUDHWBXSA-N 1 0 383.290 1.571 20 0 GDADRO C[C@H]1CN(C(=O)NCCNC(=O)c2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000417442646 531772881 /nfs/dbraw/zinc/77/28/81/531772881.db2.gz WLSFGZOPKWGLDM-SMDDNHRTSA-N 1 0 383.290 1.558 20 0 GDADRO COc1cc(Br)c(CNC(=O)NC[C@@H]2C[NH2+]CCO2)cc1OC ZINC000417444340 531773059 /nfs/dbraw/zinc/77/30/59/531773059.db2.gz CPDKIHCHSTWUHS-NSHDSACASA-N 1 0 388.262 1.254 20 0 GDADRO CCc1nc(CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000417462191 531774454 /nfs/dbraw/zinc/77/44/54/531774454.db2.gz NBSAQLHIEOQIIU-LBPRGKRZSA-N 1 0 379.452 1.383 20 0 GDADRO COCC[NH2+]CCNC(=O)NCc1cc(OC)c(OC)cc1Br ZINC000417448564 531774517 /nfs/dbraw/zinc/77/45/17/531774517.db2.gz VGACZTAINJFKFL-UHFFFAOYSA-N 1 0 390.278 1.502 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000452370416 531775214 /nfs/dbraw/zinc/77/52/14/531775214.db2.gz GDRYUCUPJSKMJX-HOCLYGCPSA-N 1 0 383.286 1.716 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1csc(I)c1 ZINC000452372418 531775368 /nfs/dbraw/zinc/77/53/68/531775368.db2.gz CGQZWVBCNYBMBV-NSHDSACASA-N 1 0 394.278 1.929 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000417474899 531776536 /nfs/dbraw/zinc/77/65/36/531776536.db2.gz AMJUDWDMGVTFSM-CYBMUJFWSA-N 1 0 399.289 1.374 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417494537 531777613 /nfs/dbraw/zinc/77/76/13/531777613.db2.gz YCDHTSOQUJHNRZ-GFCCVEGCSA-N 1 0 385.306 1.866 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])s1 ZINC000417516562 531778072 /nfs/dbraw/zinc/77/80/72/531778072.db2.gz OADXOEJNACJYBD-RYUDHWBXSA-N 1 0 376.548 1.356 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000562760214 531778742 /nfs/dbraw/zinc/77/87/42/531778742.db2.gz DEVNKURPTWFVTP-LLVKDONJSA-N 1 0 390.665 1.903 20 0 GDADRO Cn1ncc(Br)c1C[NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000512852566 531801040 /nfs/dbraw/zinc/80/10/40/531801040.db2.gz WIVCTPPBEFKYGU-PWSUYJOCSA-N 1 0 379.324 1.380 20 0 GDADRO O[C@H](COc1ccc(Br)cc1)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000641193052 531784812 /nfs/dbraw/zinc/78/48/12/531784812.db2.gz FOPCJPLFJVUZHF-AWEZNQCLSA-N 1 0 381.274 1.948 20 0 GDADRO O[C@@H](COc1c(Cl)cccc1Cl)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641205657 531786723 /nfs/dbraw/zinc/78/67/23/531786723.db2.gz WEUSTNOMUFSWGE-CYBMUJFWSA-N 1 0 386.283 1.430 20 0 GDADRO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)Oc1ccccc1Br ZINC000417832518 531787115 /nfs/dbraw/zinc/78/71/15/531787115.db2.gz SVVSGRCURWIIEX-OLZOCXBDSA-N 1 0 385.306 1.419 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC000417915012 531790761 /nfs/dbraw/zinc/79/07/61/531790761.db2.gz TUHWSNRKEAXZAQ-UHFFFAOYSA-N 1 0 388.559 1.366 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)CSCc1cc(-c2cccs2)on1 ZINC000592469529 531791116 /nfs/dbraw/zinc/79/11/16/531791116.db2.gz TZOCCWCIHFBLQY-UHFFFAOYSA-N 1 0 380.539 2.000 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2c(F)cccc2I)CCO1 ZINC000592477004 531791325 /nfs/dbraw/zinc/79/13/25/531791325.db2.gz LWRLJORXKRPJSZ-LDYMZIIASA-N 1 0 378.185 1.619 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000417926308 531792335 /nfs/dbraw/zinc/79/23/35/531792335.db2.gz KPHKXQZDAOSZPG-SNVBAGLBSA-N 1 0 382.939 1.497 20 0 GDADRO O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCC2(CC[NH2+]2)CC1 ZINC000562963229 531793154 /nfs/dbraw/zinc/79/31/54/531793154.db2.gz RYASEAFYMDEHMK-CQSZACIVSA-N 1 0 383.539 1.646 20 0 GDADRO CC1(OCC(=O)NCCc2ccc(I)s2)C[NH2+]C1 ZINC000592524859 531793477 /nfs/dbraw/zinc/79/34/77/531793477.db2.gz FXUBNTZBXBMULY-UHFFFAOYSA-N 1 0 380.251 1.390 20 0 GDADRO COc1ccc(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1Cl ZINC000269881956 531794067 /nfs/dbraw/zinc/79/40/67/531794067.db2.gz WHSNLOLEUKLIEL-UHFFFAOYSA-N 1 0 376.906 1.862 20 0 GDADRO C[C@](O)(C[NH2+]CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000562988338 531794419 /nfs/dbraw/zinc/79/44/19/531794419.db2.gz VXNVXUMNAGJELA-HNNXBMFYSA-N 1 0 379.810 1.892 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1Br ZINC000366946883 531794579 /nfs/dbraw/zinc/79/45/79/531794579.db2.gz UPBAOMGUVOJMBZ-SNVBAGLBSA-N 1 0 393.303 1.887 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000562990075 531794893 /nfs/dbraw/zinc/79/48/93/531794893.db2.gz DJUMVDWAAFNZNM-JQFCIGGWSA-N 1 0 387.318 1.808 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[NH2+][C@H](C)C3)nc12 ZINC000417995469 531794910 /nfs/dbraw/zinc/79/49/10/531794910.db2.gz AZRFWEOOZPFNPH-GFCCVEGCSA-N 1 0 380.290 1.951 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000418002470 531795132 /nfs/dbraw/zinc/79/51/32/531795132.db2.gz ABHJCWXQUWKULI-BXUZGUMPSA-N 1 0 383.290 1.899 20 0 GDADRO CN(C(=O)NCCc1c[nH]c2ccc(Br)cc12)[C@H]1C[NH2+]C[C@@H]1O ZINC000417997722 531795658 /nfs/dbraw/zinc/79/56/58/531795658.db2.gz GBJLOLCKCUXDGF-GJZGRUSLSA-N 1 0 381.274 1.447 20 0 GDADRO COCC1(CNC(=O)c2nc(C3CC3)ncc2Br)CC[NH2+]CC1 ZINC000623069565 531797676 /nfs/dbraw/zinc/79/76/76/531797676.db2.gz IMLWXUHXTVDXRT-UHFFFAOYSA-N 1 0 383.290 1.863 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)N(C)CC[NH3+])C2=O)ccc1Br ZINC000418010038 531798037 /nfs/dbraw/zinc/79/80/37/531798037.db2.gz IZEGUXBIHGWZQB-AWEZNQCLSA-N 1 0 383.290 1.853 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[NH2+]C3)nc12 ZINC000418027032 531800325 /nfs/dbraw/zinc/80/03/25/531800325.db2.gz WXSNKORISJEJIX-CYBMUJFWSA-N 1 0 380.290 1.999 20 0 GDADRO Cn1cc(I)c(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000418258597 531818386 /nfs/dbraw/zinc/81/83/86/531818386.db2.gz NUVBERNSNVYSHA-VHSXEESVSA-N 1 0 391.257 1.341 20 0 GDADRO COc1cc(I)c(Cl)cc1CNC(=O)NCC[NH3+] ZINC000418121446 531804065 /nfs/dbraw/zinc/80/40/65/531804065.db2.gz IPUARPXZWLPGCQ-UHFFFAOYSA-N 1 0 383.617 1.711 20 0 GDADRO Cc1c(Br)cncc1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000668693129 531804046 /nfs/dbraw/zinc/80/40/46/531804046.db2.gz NPMBGHXGSVCGJP-UHFFFAOYSA-N 1 0 397.317 1.683 20 0 GDADRO COc1cc(CS(=O)(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)sn1 ZINC000641317897 531804073 /nfs/dbraw/zinc/80/40/73/531804073.db2.gz CRWVQNXAFPIUSO-UHFFFAOYSA-N 1 0 384.483 1.207 20 0 GDADRO C[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)Oc1cccc(Br)c1 ZINC000269923527 531804473 /nfs/dbraw/zinc/80/44/73/531804473.db2.gz SBVBQVCIERXJJX-MLGOLLRUSA-N 1 0 388.306 1.828 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418146393 531804879 /nfs/dbraw/zinc/80/48/79/531804879.db2.gz KPBVSBBOEHEOLQ-QWHCGFSZSA-N 1 0 388.921 1.400 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCOc1ccc(I)cc1 ZINC000418150263 531805052 /nfs/dbraw/zinc/80/50/52/531805052.db2.gz CRNPCHDPZFAUSI-ZJUUUORDSA-N 1 0 377.226 1.705 20 0 GDADRO COCC[NH2+]CCNC(=O)NCc1ccc(I)c(C)c1 ZINC000418137984 531805763 /nfs/dbraw/zinc/80/57/63/531805763.db2.gz FPYXWSGEOJQNPO-UHFFFAOYSA-N 1 0 391.253 1.635 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c1OC ZINC000563119629 531808385 /nfs/dbraw/zinc/80/83/85/531808385.db2.gz ZOKUBZRKIBTSPB-NSHDSACASA-N 1 0 376.862 1.637 20 0 GDADRO Cc1cc(Br)c(S(=O)(=O)NC2C[NH2+]C2)c(Br)c1 ZINC000563118756 531808569 /nfs/dbraw/zinc/80/85/69/531808569.db2.gz APGMASZCMRFTCM-UHFFFAOYSA-N 1 0 384.093 1.770 20 0 GDADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000563121441 531808763 /nfs/dbraw/zinc/80/87/63/531808763.db2.gz NSWXJIXMZGXJJB-NSHDSACASA-N 1 0 378.292 1.344 20 0 GDADRO CCC[NH2+]CCNC(=O)NCCOc1ccc(I)cc1 ZINC000418163088 531809462 /nfs/dbraw/zinc/80/94/62/531809462.db2.gz VQIFZCBNPCPZEI-UHFFFAOYSA-N 1 0 391.253 1.969 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@@H]21 ZINC000453037654 531810646 /nfs/dbraw/zinc/81/06/46/531810646.db2.gz PJNRIWMCAIAQGK-KFWWJZLASA-N 1 0 383.539 1.454 20 0 GDADRO [NH3+][C@H](CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000418166789 531810675 /nfs/dbraw/zinc/81/06/75/531810675.db2.gz LUJXPEIKGPGNML-LLVKDONJSA-N 1 0 395.312 1.308 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418164399 531810944 /nfs/dbraw/zinc/81/09/44/531810944.db2.gz WTZJEFGMRPTVCF-GFCCVEGCSA-N 1 0 394.900 1.574 20 0 GDADRO COCC(COC)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453366084 531812403 /nfs/dbraw/zinc/81/24/03/531812403.db2.gz WWAHIDKUFKNIDS-VIFPVBQESA-N 1 0 381.292 1.409 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418168369 531812571 /nfs/dbraw/zinc/81/25/71/531812571.db2.gz LTOSNWHKVOZWLQ-AAEUAGOBSA-N 1 0 378.445 1.025 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282937191 531812764 /nfs/dbraw/zinc/81/27/64/531812764.db2.gz YRNVVHUWHRDDST-QGZVFWFLSA-N 1 0 390.933 1.587 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000418170937 531812959 /nfs/dbraw/zinc/81/29/59/531812959.db2.gz PMELSBRKHCKUOE-JTQLQIEISA-N 1 0 381.420 1.764 20 0 GDADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000563139061 531813031 /nfs/dbraw/zinc/81/30/31/531813031.db2.gz YIOVXKOVQYYZBX-BXUZGUMPSA-N 1 0 378.238 1.915 20 0 GDADRO CN(C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000563143234 531813270 /nfs/dbraw/zinc/81/32/70/531813270.db2.gz PCULIQSTVJNWHW-RYUDHWBXSA-N 1 0 381.698 1.354 20 0 GDADRO NC(=O)CN1CCCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000367143478 531813271 /nfs/dbraw/zinc/81/32/71/531813271.db2.gz IPTCJHWTRZWZEL-UHFFFAOYSA-N 1 0 398.276 1.639 20 0 GDADRO C[C@@]1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCC[NH2+]C1 ZINC000563159797 531813468 /nfs/dbraw/zinc/81/34/68/531813468.db2.gz QKZTXPOMVMEDKG-OAHLLOKOSA-N 1 0 394.324 1.778 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418190679 531813991 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1.994 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CCO1 ZINC000669458044 531814903 /nfs/dbraw/zinc/81/49/03/531814903.db2.gz LLBWVRWMTVXQPN-JGGQBBKZSA-N 1 0 397.317 1.785 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](F)C2)c(C)c[nH+]1 ZINC000515870354 531815377 /nfs/dbraw/zinc/81/53/77/531815377.db2.gz WMPOSCNKFZLCEM-UONOGXRCSA-N 1 0 393.506 1.062 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000418190748 531815749 /nfs/dbraw/zinc/81/57/49/531815749.db2.gz WURIYAMVCPZSHK-AWEZNQCLSA-N 1 0 390.937 1.743 20 0 GDADRO CN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)[C@@H](C[NH3+])C1 ZINC000669574351 531816355 /nfs/dbraw/zinc/81/63/55/531816355.db2.gz NCKOQTCJPBKWHE-SLEUVZQESA-N 1 0 385.281 1.728 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC1 ZINC000516378460 531816314 /nfs/dbraw/zinc/81/63/14/531816314.db2.gz PSZZYQCRRRXKQN-UHFFFAOYSA-N 1 0 383.283 1.551 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCCOc2ncc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000563211242 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JLQBVYJPELMKNS-SMDDNHRTSA-N 1 0 386.265 1.628 20 0 GDADRO CCOc1ccc(S(=O)(=O)NCCOCCC[NH3+])cc1Br ZINC000624408472 531844027 /nfs/dbraw/zinc/84/40/27/531844027.db2.gz VEZFMVNDYNCXLW-UHFFFAOYSA-N 1 0 381.292 1.492 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(OC)cc1Br ZINC000624405606 531844086 /nfs/dbraw/zinc/84/40/86/531844086.db2.gz NJTUDVQNJVYYBF-NXEZZACHSA-N 1 0 393.303 1.885 20 0 GDADRO [NH3+]CCCOCCNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000624408699 531844607 /nfs/dbraw/zinc/84/46/07/531844607.db2.gz BJQPQBAELHTTEK-UHFFFAOYSA-N 1 0 376.784 1.882 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418810608 531845039 /nfs/dbraw/zinc/84/50/39/531845039.db2.gz OPJACZUMMVMHSG-OLUVUFQESA-N 1 0 386.265 1.532 20 0 GDADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)N(C)C)c(Cl)c1 ZINC000298032173 531845081 /nfs/dbraw/zinc/84/50/81/531845081.db2.gz GDSNXIWCKCDJNR-GFCCVEGCSA-N 1 0 376.910 1.351 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563467219 531845080 /nfs/dbraw/zinc/84/50/80/531845080.db2.gz XSLYZDMOMYUNIO-UHFFFAOYSA-N 1 0 384.274 1.902 20 0 GDADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000641623592 531845105 /nfs/dbraw/zinc/84/51/05/531845105.db2.gz JMSRUSZIHNMFRT-HIFRSBDPSA-N 1 0 389.543 1.226 20 0 GDADRO O=C(NCC[NH2+]C[C@H]1CNc2ccnn2C1)c1ccc(Br)cc1 ZINC000595145512 531867811 /nfs/dbraw/zinc/86/78/11/531867811.db2.gz DAIISSMPRLQZOD-LBPRGKRZSA-N 1 0 378.274 1.707 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3ccc(Br)cc3)[C@@H]2C1 ZINC000283499607 531869317 /nfs/dbraw/zinc/86/93/17/531869317.db2.gz IMYWTICTNJMTTI-DZGCQCFKSA-N 1 0 380.286 1.618 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ncccc2Br)C[C@H]1[NH+](C)C ZINC000594764600 531856171 /nfs/dbraw/zinc/85/61/71/531856171.db2.gz AYVFOICEHPTHLG-GHMZBOCLSA-N 1 0 380.333 1.510 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000563610898 531856224 /nfs/dbraw/zinc/85/62/24/531856224.db2.gz BOTHKARCEZWRSR-HZPDHXFCSA-N 1 0 398.301 1.911 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000298137650 531856918 /nfs/dbraw/zinc/85/69/18/531856918.db2.gz QOYCICGNLRJQSM-UHFFFAOYSA-N 1 0 388.299 1.057 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418944371 531869072 /nfs/dbraw/zinc/86/90/72/531869072.db2.gz NRGJSOCTVRABGO-ONERCXAPSA-N 1 0 380.286 1.667 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(Br)cn1 ZINC000418865230 531857277 /nfs/dbraw/zinc/85/72/77/531857277.db2.gz KQMLIVHFQXAWBP-BDJLRTHQSA-N 1 0 381.274 1.233 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000418865328 531857638 /nfs/dbraw/zinc/85/76/38/531857638.db2.gz LBYAAHBSKGVJAD-YPMHNXCESA-N 1 0 383.290 1.622 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624785196 531857658 /nfs/dbraw/zinc/85/76/58/531857658.db2.gz WKDOMUAQHPXOQM-AWEZNQCLSA-N 1 0 386.543 1.343 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418944658 531869346 /nfs/dbraw/zinc/86/93/46/531869346.db2.gz OEYHSJHCZINZDG-ABAIWWIYSA-N 1 0 380.286 1.668 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642433158 531859590 /nfs/dbraw/zinc/85/95/90/531859590.db2.gz FQCOYHNUVUXVSX-HNNXBMFYSA-N 1 0 394.313 1.855 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCO1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000563674002 531859666 /nfs/dbraw/zinc/85/96/66/531859666.db2.gz PVOHXQBXOFCKMX-OCCSQVGLSA-N 1 0 390.889 1.022 20 0 GDADRO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Br)cc2c1OCC2 ZINC000367773703 531860030 /nfs/dbraw/zinc/86/00/30/531860030.db2.gz VCIVAHPZNFTHLG-QWRGUYRKSA-N 1 0 379.251 1.362 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc(Br)cn1 ZINC000418873425 531860174 /nfs/dbraw/zinc/86/01/74/531860174.db2.gz XXFALMIAWBYNDX-NEPJUHHUSA-N 1 0 383.290 1.609 20 0 GDADRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)c1 ZINC000270348493 531860925 /nfs/dbraw/zinc/86/09/25/531860925.db2.gz BGDHIMHLNHRPHD-UHFFFAOYSA-N 1 0 395.257 1.720 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418891244 531861328 /nfs/dbraw/zinc/86/13/28/531861328.db2.gz XGRPHRYGLDGNAV-QPUJVOFHSA-N 1 0 388.237 1.110 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000270361275 531861379 /nfs/dbraw/zinc/86/13/79/531861379.db2.gz JEBJVBBWZQBHCI-UHFFFAOYSA-N 1 0 385.306 1.968 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000563705582 531861511 /nfs/dbraw/zinc/86/15/11/531861511.db2.gz FHFPKQKOZDXOSZ-NWDGAFQWSA-N 1 0 385.306 1.994 20 0 GDADRO CCOc1cc(C[NH2+]CCNS(=O)(=O)N(C)C)cc(Br)c1O ZINC000298183999 531861745 /nfs/dbraw/zinc/86/17/45/531861745.db2.gz VYNRLDLOEBVNQV-UHFFFAOYSA-N 1 0 396.307 1.039 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)NCCN(C)CCOC ZINC000672841337 531869225 /nfs/dbraw/zinc/86/92/25/531869225.db2.gz QKYVOOADVIEEGW-UHFFFAOYSA-N 1 0 395.319 1.704 20 0 GDADRO C[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000563707365 531862115 /nfs/dbraw/zinc/86/21/15/531862115.db2.gz LYFPBYPGOQVCIC-UWVGGRQHSA-N 1 0 380.242 1.254 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418891242 531862207 /nfs/dbraw/zinc/86/22/07/531862207.db2.gz XGRPHRYGLDGNAV-PELKAZGASA-N 1 0 388.237 1.110 20 0 GDADRO OCCO[C@]1(C[NH2+]Cc2ncc(I)s2)CCOC1 ZINC000594976319 531862845 /nfs/dbraw/zinc/86/28/45/531862845.db2.gz ZUYGTJUCDZGOKI-NSHDSACASA-N 1 0 384.239 1.005 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000563805918 531863263 /nfs/dbraw/zinc/86/32/63/531863263.db2.gz MRAMYDXRSARVPG-UONOGXRCSA-N 1 0 376.906 1.402 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418921152 531863401 /nfs/dbraw/zinc/86/34/01/531863401.db2.gz IOYNEUWOGGGZMP-UHFFFAOYSA-N 1 0 388.281 1.690 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418921731 531863573 /nfs/dbraw/zinc/86/35/73/531863573.db2.gz JWXYEJQZUYIEPE-HZMBPMFUSA-N 1 0 386.265 1.361 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000367834281 531869211 /nfs/dbraw/zinc/86/92/11/531869211.db2.gz VKMVKKAGSQGEBV-CYBMUJFWSA-N 1 0 375.288 1.878 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000298269450 531870581 /nfs/dbraw/zinc/87/05/81/531870581.db2.gz IFHFAVFTTYYUCL-UHFFFAOYSA-N 1 0 389.905 1.042 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000564966417 531871019 /nfs/dbraw/zinc/87/10/19/531871019.db2.gz JWMICHZRROTILN-MRXNPFEDSA-N 1 0 375.535 1.347 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000564958255 531871629 /nfs/dbraw/zinc/87/16/29/531871629.db2.gz AZKKQPVVZJLDAE-LLVKDONJSA-N 1 0 375.878 1.585 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCCOc2cccc(Br)c2)[C@@H]1C[NH3+] ZINC000418954741 531872019 /nfs/dbraw/zinc/87/20/19/531872019.db2.gz TWUVUPIKUUMIGB-SWLSCSKDSA-N 1 0 398.301 1.530 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)cc1I ZINC000564967696 531872120 /nfs/dbraw/zinc/87/21/20/531872120.db2.gz RINCRTUWHLLBJO-LBPRGKRZSA-N 1 0 380.251 1.615 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595247121 531872384 /nfs/dbraw/zinc/87/23/84/531872384.db2.gz AQLLKMHTJNJZND-UHFFFAOYSA-N 1 0 386.235 1.587 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418961166 531872638 /nfs/dbraw/zinc/87/26/38/531872638.db2.gz AZXXCGRRUYUQFB-SKDRFNHKSA-N 1 0 394.273 1.056 20 0 GDADRO COc1ccc(I)c(NC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000595253818 531873485 /nfs/dbraw/zinc/87/34/85/531873485.db2.gz PFWBKPKDRXUMNR-UHFFFAOYSA-N 1 0 387.181 1.102 20 0 GDADRO C[NH+](C)CCOC1CCN(S(=O)(=O)CCc2c(F)cccc2F)CC1 ZINC000625017683 531874373 /nfs/dbraw/zinc/87/43/73/531874373.db2.gz RBOJRAKFTLRTFK-UHFFFAOYSA-N 1 0 376.469 1.880 20 0 GDADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)CC2CCS(=O)(=O)CC2)c1 ZINC000283554621 531874474 /nfs/dbraw/zinc/87/44/74/531874474.db2.gz OLJDNDBPZAGBLT-UHFFFAOYSA-N 1 0 388.555 1.383 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418982456 531876048 /nfs/dbraw/zinc/87/60/48/531876048.db2.gz AVZGQHUTRHHWSQ-IIAWOOMASA-N 1 0 394.313 1.612 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000283562350 531876142 /nfs/dbraw/zinc/87/61/42/531876142.db2.gz NMQVOUIXAHVNGV-SWLSCSKDSA-N 1 0 382.302 1.864 20 0 GDADRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000270474864 531876481 /nfs/dbraw/zinc/87/64/81/531876481.db2.gz MLAYBGFQJMIUIN-JKSUJKDBSA-N 1 0 385.555 1.411 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000418997340 531877197 /nfs/dbraw/zinc/87/71/97/531877197.db2.gz UCHGWYGHRZPQPC-SMDDNHRTSA-N 1 0 382.302 1.817 20 0 GDADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000644041234 531877850 /nfs/dbraw/zinc/87/78/50/531877850.db2.gz ICWMXIYQGWWJTB-LBPRGKRZSA-N 1 0 393.481 1.262 20 0 GDADRO CN1CC[NH2+]C[C@H]1CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000566092505 531878481 /nfs/dbraw/zinc/87/84/81/531878481.db2.gz FOBOXMCHFKLSIK-GXTWGEPZSA-N 1 0 388.331 1.161 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000419002520 531879156 /nfs/dbraw/zinc/87/91/56/531879156.db2.gz BRNGMPARYZQNEO-MJVIPROJSA-N 1 0 398.301 1.749 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CCOC[C@H](O)C3)nc12 ZINC000298345523 531879678 /nfs/dbraw/zinc/87/96/78/531879678.db2.gz PAHMWAFUZXBUFL-CQSZACIVSA-N 1 0 397.273 1.350 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000283626801 531879789 /nfs/dbraw/zinc/87/97/89/531879789.db2.gz BAYFNNLEZJYJLP-CYBMUJFWSA-N 1 0 399.333 1.737 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1Br ZINC000419012289 531879951 /nfs/dbraw/zinc/87/99/51/531879951.db2.gz VSLKQCVFMHIQPW-TVQRCGJNSA-N 1 0 384.274 1.488 20 0 GDADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000566101295 531880362 /nfs/dbraw/zinc/88/03/62/531880362.db2.gz IIFNKROJIDTZNW-GDBMZVCRSA-N 1 0 396.285 1.217 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000419015730 531880479 /nfs/dbraw/zinc/88/04/79/531880479.db2.gz CHTQWDBDSLIMLI-YPMHNXCESA-N 1 0 382.258 1.209 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(Cl)c(I)c1 ZINC000566101787 531881135 /nfs/dbraw/zinc/88/11/35/531881135.db2.gz NWGJDMLLUFRZDB-JTQLQIEISA-N 1 0 393.656 1.578 20 0 GDADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@H]1CSCCS1 ZINC000283640908 531881518 /nfs/dbraw/zinc/88/15/18/531881518.db2.gz YNZORQZREIUVHR-KBPBESRZSA-N 1 0 399.607 1.966 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419026538 531883399 /nfs/dbraw/zinc/88/33/99/531883399.db2.gz ULYKYOUAQVATTL-QWHCGFSZSA-N 1 0 382.302 1.707 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000673774135 531883571 /nfs/dbraw/zinc/88/35/71/531883571.db2.gz RXCOSDQRLYADOH-CQSZACIVSA-N 1 0 390.937 1.570 20 0 GDADRO CS[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)C[C@H]1[NH+](C)C ZINC000270512597 531883831 /nfs/dbraw/zinc/88/38/31/531883831.db2.gz RETUGWBVLVQEOK-CVEARBPZSA-N 1 0 385.555 1.491 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000418941429 531869439 /nfs/dbraw/zinc/86/94/39/531869439.db2.gz KRITUPQLRZJFRK-WDBKCZKBSA-N 1 0 380.286 1.796 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418949311 531870166 /nfs/dbraw/zinc/87/01/66/531870166.db2.gz NZAREPMXHFUAAC-SWLSCSKDSA-N 1 0 398.301 1.578 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419050574 531891154 /nfs/dbraw/zinc/89/11/54/531891154.db2.gz DQJCDARGOXUEPL-ZYHUDNBSSA-N 1 0 386.265 1.443 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419048489 531891470 /nfs/dbraw/zinc/89/14/70/531891470.db2.gz AEKFZGFVUQBORF-OCCSQVGLSA-N 1 0 398.301 1.073 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419046822 531891521 /nfs/dbraw/zinc/89/15/21/531891521.db2.gz WHYXHEDJGKSHOE-OTYXRUKQSA-N 1 0 378.420 1.927 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC[NH2+]1 ZINC000419046980 531891542 /nfs/dbraw/zinc/89/15/42/531891542.db2.gz ZHBAFRWQQUEYFT-UHIISALHSA-N 1 0 396.285 1.646 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000419052559 531892210 /nfs/dbraw/zinc/89/22/10/531892210.db2.gz HOEPZATUKMZFKB-TVQRCGJNSA-N 1 0 387.267 1.068 20 0 GDADRO C[C@H](O)CN1CCN(C(=O)c2ccc(I)cn2)[C@H](C)C1 ZINC000456029371 531892818 /nfs/dbraw/zinc/89/28/18/531892818.db2.gz UKVOLQXLVHTOOP-MNOVXSKESA-N 1 0 389.237 1.213 20 0 GDADRO O=S(=O)([N-]CC(F)(F)F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368102647 531893176 /nfs/dbraw/zinc/89/31/76/531893176.db2.gz ZJYFTELQNYDIEK-GJZGRUSLSA-N 1 0 377.432 1.837 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419055296 531893397 /nfs/dbraw/zinc/89/33/97/531893397.db2.gz OAVPTUREBAPJFP-GHMZBOCLSA-N 1 0 386.265 1.456 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419056128 531893669 /nfs/dbraw/zinc/89/36/69/531893669.db2.gz PWDZVBVKVYTDPL-ZYHUDNBSSA-N 1 0 386.265 1.504 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419053696 531893773 /nfs/dbraw/zinc/89/37/73/531893773.db2.gz KLSFVJKQZAJBIR-ZOWXZIJZSA-N 1 0 382.302 1.692 20 0 GDADRO C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1)[NH+](C)C ZINC000674245296 531893908 /nfs/dbraw/zinc/89/39/08/531893908.db2.gz DNFQCHFILJPJER-NSHDSACASA-N 1 0 383.290 1.971 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419053951 531894144 /nfs/dbraw/zinc/89/41/44/531894144.db2.gz KYFUIXIYHGHGAS-UONOGXRCSA-N 1 0 382.302 1.755 20 0 GDADRO Cc1cccc2cc(S(=O)(=O)NCCCN3CCC[C@H]3C(N)=O)sc21 ZINC000625378956 531894457 /nfs/dbraw/zinc/89/44/57/531894457.db2.gz XANWZTRAABPQHJ-AWEZNQCLSA-N 1 0 381.523 1.828 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419058240 531895043 /nfs/dbraw/zinc/89/50/43/531895043.db2.gz VYXGHPAECCILDW-UONOGXRCSA-N 1 0 382.302 1.707 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419057180 531895255 /nfs/dbraw/zinc/89/52/55/531895255.db2.gz UCYJNCSYYKUDLV-ZFWWWQNUSA-N 1 0 382.302 1.740 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000283784636 531895259 /nfs/dbraw/zinc/89/52/59/531895259.db2.gz DJHJLDAAXUWQJR-UHFFFAOYSA-N 1 0 389.905 1.423 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419056737 531895273 /nfs/dbraw/zinc/89/52/73/531895273.db2.gz RXNXXVSWYZCPQN-UHFFFAOYSA-N 1 0 376.682 1.787 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1cc(Br)cs1 ZINC000283788841 531895434 /nfs/dbraw/zinc/89/54/34/531895434.db2.gz GHMDLTPJNKBOPL-GXFFZTMASA-N 1 0 388.331 1.925 20 0 GDADRO [NH3+][C@H](CNC(=O)c1sc2c(c1I)CNC2)C1CC1 ZINC000595949663 531895463 /nfs/dbraw/zinc/89/54/63/531895463.db2.gz YPVVVFQOSRJDKT-MRVPVSSYSA-N 1 0 377.251 1.423 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419059740 531895819 /nfs/dbraw/zinc/89/58/19/531895819.db2.gz YEBLERBZJVAXIM-FMKPAKJESA-N 1 0 394.313 1.707 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707814 531896512 /nfs/dbraw/zinc/89/65/12/531896512.db2.gz DTHZAWGPZGSULO-STQMWFEESA-N 1 0 383.290 1.191 20 0 GDADRO [NH3+]C1CCC(NC(=O)CS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000647726672 531896809 /nfs/dbraw/zinc/89/68/09/531896809.db2.gz HUVHDFJXDWJMRV-UHFFFAOYSA-N 1 0 375.288 1.609 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419077405 531897553 /nfs/dbraw/zinc/89/75/53/531897553.db2.gz JGXGIGJZQCDUOT-AWEZNQCLSA-N 1 0 380.286 1.465 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419075432 531897635 /nfs/dbraw/zinc/89/76/35/531897635.db2.gz FWPOCRAHBUJZQM-OAHLLOKOSA-N 1 0 394.313 1.855 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419078390 531897940 /nfs/dbraw/zinc/89/79/40/531897940.db2.gz ZAAXSLHNFFFXTO-SNVBAGLBSA-N 1 0 388.693 1.835 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419079707 531898130 /nfs/dbraw/zinc/89/81/30/531898130.db2.gz NLZVYWCELDRCNH-CYBMUJFWSA-N 1 0 394.313 1.713 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419035134 531884927 /nfs/dbraw/zinc/88/49/27/531884927.db2.gz FJXHDKOJGRIEIW-SMDDNHRTSA-N 1 0 396.285 1.505 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)CC1 ZINC000419037610 531885692 /nfs/dbraw/zinc/88/56/92/531885692.db2.gz ITVUDOIJBNBVRL-JTQLQIEISA-N 1 0 386.265 1.790 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000419038582 531886107 /nfs/dbraw/zinc/88/61/07/531886107.db2.gz FQDHVYSEUJZYGK-UHFFFAOYSA-N 1 0 396.289 1.089 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C[C@H](C)[NH2+]1 ZINC000419038645 531886175 /nfs/dbraw/zinc/88/61/75/531886175.db2.gz FWOBEAYGVOSBHA-UWVGGRQHSA-N 1 0 375.803 1.766 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419040726 531887264 /nfs/dbraw/zinc/88/72/64/531887264.db2.gz JCTJLZBXHURUIW-NXEZZACHSA-N 1 0 375.803 1.753 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1nc(C(F)(F)F)cs1 ZINC000419042164 531887619 /nfs/dbraw/zinc/88/76/19/531887619.db2.gz KZELAMGROOAAPQ-XPTSAGLGSA-N 1 0 376.404 1.551 20 0 GDADRO CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000566455561 531887730 /nfs/dbraw/zinc/88/77/30/531887730.db2.gz OKJIXUVOZXYHBR-CQSZACIVSA-N 1 0 385.555 1.749 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419043202 531888050 /nfs/dbraw/zinc/88/80/50/531888050.db2.gz QQYIVHFHUULXIW-GWCFXTLKSA-N 1 0 382.258 1.196 20 0 GDADRO O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000567599336 531899440 /nfs/dbraw/zinc/89/94/40/531899440.db2.gz VENAVEAVPCYYTC-GDBMZVCRSA-N 1 0 384.523 1.169 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000419046540 531889256 /nfs/dbraw/zinc/88/92/56/531889256.db2.gz VPWOOUNDZBQVIQ-SKDRFNHKSA-N 1 0 375.803 1.753 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419046370 531889748 /nfs/dbraw/zinc/88/97/48/531889748.db2.gz XXMQFCUUVVMHQW-ZWNOBZJWSA-N 1 0 382.258 1.257 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)c1nc(C(F)(F)F)cs1 ZINC000419045478 531889805 /nfs/dbraw/zinc/88/98/05/531889805.db2.gz SFEKRQXWEJMYMQ-NXEZZACHSA-N 1 0 378.420 1.940 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H](C)Cn2ccnc2)s1 ZINC000298458310 531889946 /nfs/dbraw/zinc/88/99/46/531889946.db2.gz MFNMCXGUJMZBGL-OCCSQVGLSA-N 1 0 382.511 1.611 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000566678758 531890682 /nfs/dbraw/zinc/89/06/82/531890682.db2.gz KZSXEZGTXQJMSN-LSDHHAIUSA-N 1 0 388.555 1.313 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN(C)C1C[NH2+]C1 ZINC000647969526 531906303 /nfs/dbraw/zinc/90/63/03/531906303.db2.gz YQJWPZANDKUDBW-UHFFFAOYSA-N 1 0 383.290 1.058 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000283885102 531906461 /nfs/dbraw/zinc/90/64/61/531906461.db2.gz IAGYPSAYGMERIQ-UHFFFAOYSA-N 1 0 386.315 1.870 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c1Br ZINC000419164725 531907298 /nfs/dbraw/zinc/90/72/98/531907298.db2.gz MIAJVIGVNSHRLZ-CYBMUJFWSA-N 1 0 382.302 1.880 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000283890893 531907623 /nfs/dbraw/zinc/90/76/23/531907623.db2.gz JMRRKSQVWFJGPQ-LBPRGKRZSA-N 1 0 394.278 1.662 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000419161646 531907686 /nfs/dbraw/zinc/90/76/86/531907686.db2.gz DYBHHCOTYJOYFM-QGZVFWFLSA-N 1 0 388.295 1.824 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000568491131 531908141 /nfs/dbraw/zinc/90/81/41/531908141.db2.gz GPDGOYLHYKYKNC-WFASDCNBSA-N 1 0 395.301 1.631 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000648140735 531908488 /nfs/dbraw/zinc/90/84/88/531908488.db2.gz ITDQZPCUSPEVFU-QWRGUYRKSA-N 1 0 379.251 1.039 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419166813 531908862 /nfs/dbraw/zinc/90/88/62/531908862.db2.gz PSNDNCQYKZOQMS-AWEZNQCLSA-N 1 0 376.284 1.726 20 0 GDADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]CCC(=O)NC(N)=O ZINC000568502830 531910317 /nfs/dbraw/zinc/91/03/17/531910317.db2.gz DYKDJPFVSPKZPF-AWEZNQCLSA-N 1 0 386.290 1.961 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000419189539 531910661 /nfs/dbraw/zinc/91/06/61/531910661.db2.gz PTQHNJAAKFODSM-ZDUSSCGKSA-N 1 0 396.329 1.911 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000419200404 531911488 /nfs/dbraw/zinc/91/14/88/531911488.db2.gz DOVAKEMIWQIDAR-MNOVXSKESA-N 1 0 384.274 1.270 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCc2ccccc2Br)C[C@H]1C[NH3+] ZINC000419197487 531911568 /nfs/dbraw/zinc/91/15/68/531911568.db2.gz BDVCCGMRFNAKBW-TZMCWYRMSA-N 1 0 382.302 1.551 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419194158 531911681 /nfs/dbraw/zinc/91/16/81/531911681.db2.gz SFNFTBLMNHYJKU-IJEWVQPXSA-N 1 0 394.313 1.612 20 0 GDADRO CC1(CNC(=O)C(=O)NCCc2ccccc2Br)CC[NH2+]CC1 ZINC000419204013 531913483 /nfs/dbraw/zinc/91/34/83/531913483.db2.gz IFIXFPJQOWTDED-UHFFFAOYSA-N 1 0 382.302 1.614 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)s2)C1 ZINC000419109342 531901294 /nfs/dbraw/zinc/90/12/94/531901294.db2.gz HEUVEBCZXZMXPF-WDEREUQCSA-N 1 0 388.331 1.755 20 0 GDADRO C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000567807350 531902752 /nfs/dbraw/zinc/90/27/52/531902752.db2.gz CCGILKVOKFLBJC-YPMHNXCESA-N 1 0 384.274 1.201 20 0 GDADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000674716753 531902929 /nfs/dbraw/zinc/90/29/29/531902929.db2.gz RIIAEPZBYINNKF-UHFFFAOYSA-N 1 0 389.543 1.189 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)[C@H](C)C[NH2+]1 ZINC000419137513 531903044 /nfs/dbraw/zinc/90/30/44/531903044.db2.gz QVLLKQANLOTSBQ-NXEZZACHSA-N 1 0 388.693 1.928 20 0 GDADRO 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[NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000419251524 531918566 /nfs/dbraw/zinc/91/85/66/531918566.db2.gz RKKUCELUSDJKAC-CABZTGNLSA-N 1 0 384.299 1.519 20 0 GDADRO C[C@@H](C(=O)NCc1nn(C)cc1I)[NH+]1CCCCCC1 ZINC000456511762 531919364 /nfs/dbraw/zinc/91/93/64/531919364.db2.gz TZDUEUVQSWRASM-NSHDSACASA-N 1 0 390.269 1.905 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419261122 531920126 /nfs/dbraw/zinc/92/01/26/531920126.db2.gz PPXLAKDVXNJGEN-STQMWFEESA-N 1 0 396.285 1.012 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1[nH]nc(C2CC2)c1Br ZINC000649077264 531920555 /nfs/dbraw/zinc/92/05/55/531920555.db2.gz PEHNEMXHBNPGBE-SECBINFHSA-N 1 0 384.278 1.242 20 0 GDADRO Cn1c(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)nnc1C1CC1 ZINC000569359834 531920756 /nfs/dbraw/zinc/92/07/56/531920756.db2.gz SZWHLRYCXBQZJI-INIZCTEOSA-N 1 0 378.274 1.945 20 0 GDADRO C[C@@H](NC(=O)CN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C(=O)N(C)C ZINC000625983424 531921177 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CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000456582312 531922616 /nfs/dbraw/zinc/92/26/16/531922616.db2.gz MPASQKDPTWAZRR-OAHLLOKOSA-N 1 0 387.933 1.729 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419304313 531923508 /nfs/dbraw/zinc/92/35/08/531923508.db2.gz URNFHQKRXQTYSE-DOMZBBRYSA-N 1 0 382.302 1.878 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419349317 531927031 /nfs/dbraw/zinc/92/70/31/531927031.db2.gz DBFZBFCEZBTWAN-FZMZJTMJSA-N 1 0 398.301 1.802 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(SC)cc2)C1 ZINC000626165795 531925212 /nfs/dbraw/zinc/92/52/12/531925212.db2.gz GCKUCSNNVQIPBK-HUUCEWRRSA-N 1 0 388.555 1.409 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(Br)ccc1OC ZINC000419209930 531914553 /nfs/dbraw/zinc/91/45/53/531914553.db2.gz UHXAQXWYYCTJRX-CQSZACIVSA-N 1 0 398.301 1.674 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419212362 531914609 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[NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419409074 531931849 /nfs/dbraw/zinc/93/18/49/531931849.db2.gz YQCIEYHANXDLCJ-GXFFZTMASA-N 1 0 389.283 1.517 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(O)c(Br)c1 ZINC000419404467 531931894 /nfs/dbraw/zinc/93/18/94/531931894.db2.gz FZNIVCWSLKYECN-YPMHNXCESA-N 1 0 384.274 1.405 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)NCc2ccc(Br)s2)CC1=O ZINC000650678274 531932047 /nfs/dbraw/zinc/93/20/47/531932047.db2.gz UCPRIKYJJRUSNR-UHFFFAOYSA-N 1 0 389.319 1.426 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000419450080 531933203 /nfs/dbraw/zinc/93/32/03/531933203.db2.gz YWRDVIXKZLTVAV-UHFFFAOYSA-N 1 0 394.216 1.392 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1Br ZINC000419448682 531933375 /nfs/dbraw/zinc/93/33/75/531933375.db2.gz WPWOFAADFSLVDY-YPMHNXCESA-N 1 0 398.301 1.578 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000419442643 531933865 /nfs/dbraw/zinc/93/38/65/531933865.db2.gz 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382.877 1.425 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419863442 531979318 /nfs/dbraw/zinc/97/93/18/531979318.db2.gz ROITWEJMAWHKOQ-LLVKDONJSA-N 1 0 386.265 1.662 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1F ZINC000271206875 531980739 /nfs/dbraw/zinc/98/07/39/531980739.db2.gz KOVWYMGQHYCNDC-LLVKDONJSA-N 1 0 393.506 1.348 20 0 GDADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OCC(F)F)cc1 ZINC000370079187 531981074 /nfs/dbraw/zinc/98/10/74/531981074.db2.gz ALRCNQOHDGTBNP-GXTWGEPZSA-N 1 0 376.425 1.472 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)c2csc(S(N)(=O)=O)c2)cc1F ZINC000458323767 531981246 /nfs/dbraw/zinc/98/12/46/531981246.db2.gz RXRDGOXQWMWFDO-UHFFFAOYSA-N 1 0 387.458 1.727 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000573357889 531981430 /nfs/dbraw/zinc/98/14/30/531981430.db2.gz DEJNAAVPYOCQRK-AAEUAGOBSA-N 1 0 397.324 1.604 20 0 GDADRO CSC1(CNC(=O)c2sc(S(N)(=O)=O)cc2C)CC[NH+](C)CC1 ZINC000573374651 531982247 /nfs/dbraw/zinc/98/22/47/531982247.db2.gz PNKLSLBHLKHZMP-UHFFFAOYSA-N 1 0 377.557 1.261 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000419895643 531982317 /nfs/dbraw/zinc/98/23/17/531982317.db2.gz SNIBQLCKZKBFBQ-AWEZNQCLSA-N 1 0 398.301 1.847 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000419892916 531982370 /nfs/dbraw/zinc/98/23/70/531982370.db2.gz PAWOQRBTXDNXPG-ZDUSSCGKSA-N 1 0 384.274 1.457 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000419892339 531982583 /nfs/dbraw/zinc/98/25/83/531982583.db2.gz KZRCAMPYHWSHEW-NSHDSACASA-N 1 0 386.315 1.870 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000419901979 531983428 /nfs/dbraw/zinc/98/34/28/531983428.db2.gz VJBRWDFCDSCDSW-FZMZJTMJSA-N 1 0 384.274 1.073 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000419905486 531983834 /nfs/dbraw/zinc/98/38/34/531983834.db2.gz YZTXNHJGDWYTOV-HUUCEWRRSA-N 1 0 380.286 1.981 20 0 GDADRO C[C@@H]1CN(C(=O)NCCc2nc(C(F)(F)F)cs2)C[C@H](C)[N@H+]1CCO ZINC000458459315 531983985 /nfs/dbraw/zinc/98/39/85/531983985.db2.gz CXVKVYGORVMGMN-PHIMTYICSA-N 1 0 380.436 1.801 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000419920749 531985946 /nfs/dbraw/zinc/98/59/46/531985946.db2.gz XENSHPBFCAHKMM-LBPRGKRZSA-N 1 0 380.286 1.450 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419924063 531986066 /nfs/dbraw/zinc/98/60/66/531986066.db2.gz MOFZJVLOJMINEL-UHFFFAOYSA-N 1 0 380.286 1.491 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c(Br)c1 ZINC000573550217 531986873 /nfs/dbraw/zinc/98/68/73/531986873.db2.gz QQRDBCTZSLGVNB-LLVKDONJSA-N 1 0 379.276 1.115 20 0 GDADRO CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284750639 531987383 /nfs/dbraw/zinc/98/73/83/531987383.db2.gz LLTCGGMHUHTSLX-QGZVFWFLSA-N 1 0 397.317 1.869 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419943069 531987759 /nfs/dbraw/zinc/98/77/59/531987759.db2.gz PHACTOSAAUKSSX-DGCLKSJQSA-N 1 0 382.302 1.823 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000419933153 531988365 /nfs/dbraw/zinc/98/83/65/531988365.db2.gz FHNGOAHRQPRWQI-GFCCVEGCSA-N 1 0 382.302 1.614 20 0 GDADRO C[C@H](CNC(=O)c1nccn2c(Br)cnc12)C[NH+]1CCN(C)CC1 ZINC000271249798 531990707 /nfs/dbraw/zinc/99/07/07/531990707.db2.gz IYJBYKSHZKTZBZ-GFCCVEGCSA-N 1 0 395.305 1.105 20 0 GDADRO O=C(NC[C@H]1CCS(=O)(=O)C1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000299450581 531991131 /nfs/dbraw/zinc/99/11/31/531991131.db2.gz PTQKQYHKMCLUJQ-LSDHHAIUSA-N 1 0 385.555 1.694 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2 ZINC000419970826 531991253 /nfs/dbraw/zinc/99/12/53/531991253.db2.gz CPIYNFINZNCMIO-OAHLLOKOSA-N 1 0 382.302 1.742 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000420015822 531995818 /nfs/dbraw/zinc/99/58/18/531995818.db2.gz MGQDVYAUFVTYMZ-MRXNPFEDSA-N 1 0 396.289 1.462 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420016852 531996559 /nfs/dbraw/zinc/99/65/59/531996559.db2.gz NNOKVBVZDGUMTR-UWVGGRQHSA-N 1 0 378.420 1.754 20 0 GDADRO COc1cc(Cl)c(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000631064895 531996691 /nfs/dbraw/zinc/99/66/91/531996691.db2.gz UJSRQAIQYLFYMB-UHFFFAOYSA-N 1 0 391.921 1.024 20 0 GDADRO Cc1c(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)sc2nccn12 ZINC000271282232 531996756 /nfs/dbraw/zinc/99/67/56/531996756.db2.gz ZXYYJJIBAJUYFP-ZDUSSCGKSA-N 1 0 384.527 1.285 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1OC(F)F ZINC000657071760 531997646 /nfs/dbraw/zinc/99/76/46/531997646.db2.gz UMNIERXSHBUKSC-ZDUSSCGKSA-N 1 0 379.473 1.838 20 0 GDADRO COc1cc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c(F)cc1Br ZINC000631100527 532000077 /nfs/dbraw/zinc/00/00/77/532000077.db2.gz XMKRMUMDJFOVMO-SNVBAGLBSA-N 1 0 395.294 1.968 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000370674395 532000182 /nfs/dbraw/zinc/00/01/82/532000182.db2.gz VAOXNPCMTCWPFZ-QWRGUYRKSA-N 1 0 375.288 1.688 20 0 GDADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420082627 532000423 /nfs/dbraw/zinc/00/04/23/532000423.db2.gz VDEXNIOOVHKJOY-CYBMUJFWSA-N 1 0 398.301 1.975 20 0 GDADRO O=S1(=O)CCc2cc(CNc3cc(N4CCSCC4)ncn3)ccc21 ZINC000574895002 532000667 /nfs/dbraw/zinc/00/06/67/532000667.db2.gz PDVRHAOYRTYVNX-UHFFFAOYSA-N 1 0 376.507 1.972 20 0 GDADRO CC1(CNC(=O)C(=O)N2CCc3cccc(Br)c3C2)CC[NH2+]CC1 ZINC000420089881 532001179 /nfs/dbraw/zinc/00/11/79/532001179.db2.gz SRJVZIITLAKFQU-UHFFFAOYSA-N 1 0 394.313 1.840 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420087235 532001277 /nfs/dbraw/zinc/00/12/77/532001277.db2.gz BDVFBKFRDKJDLL-OAHLLOKOSA-N 1 0 388.331 1.975 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000420124285 532004636 /nfs/dbraw/zinc/00/46/36/532004636.db2.gz ROPVMNUKCJKMAP-YGRLFVJLSA-N 1 0 386.265 1.661 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000420109933 532003165 /nfs/dbraw/zinc/00/31/65/532003165.db2.gz ZHGDGXBJBILJTA-UHFFFAOYSA-N 1 0 396.289 1.347 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000420142573 532005935 /nfs/dbraw/zinc/00/59/35/532005935.db2.gz ZLPLMZISWIHMCN-GFCCVEGCSA-N 1 0 386.279 1.971 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)nn2C)[C@@H](C)C1 ZINC000657383390 532005991 /nfs/dbraw/zinc/00/59/91/532005991.db2.gz WCMQPVLYLHXWNH-WCQYABFASA-N 1 0 382.452 1.977 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1OC ZINC000599103024 532006433 /nfs/dbraw/zinc/00/64/33/532006433.db2.gz HXEJFYKAAKHROC-KOLCDFICSA-N 1 0 376.862 1.554 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000599101718 532005071 /nfs/dbraw/zinc/00/50/71/532005071.db2.gz ALYISGRITNETDH-JOYOIKCWSA-N 1 0 380.388 1.911 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2cnn3cc(Br)cnc23)CCSC1 ZINC000271345938 532005221 /nfs/dbraw/zinc/00/52/21/532005221.db2.gz GSCIKIQEDSQUIO-CQSZACIVSA-N 1 0 384.303 1.659 20 0 GDADRO Cc1c(Br)cncc1C[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000657394401 532005263 /nfs/dbraw/zinc/00/52/63/532005263.db2.gz JLYORRHHQIHOBV-RISCZKNCSA-N 1 0 376.320 1.960 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000420179143 532007185 /nfs/dbraw/zinc/00/71/85/532007185.db2.gz FQHARVVXHHCVDI-NSHDSACASA-N 1 0 388.295 1.791 20 0 GDADRO COCCOc1c(Cl)cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000574989003 532007277 /nfs/dbraw/zinc/00/72/77/532007277.db2.gz AMPMQTCGOYCYBD-PHIMTYICSA-N 1 0 395.308 1.859 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631887681 532008289 /nfs/dbraw/zinc/00/82/89/532008289.db2.gz TYTOKIJEAWYFBS-MLGOLLRUSA-N 1 0 385.917 1.756 20 0 GDADRO OCCO[C@]1(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCOC1 ZINC000657595445 532010159 /nfs/dbraw/zinc/01/01/59/532010159.db2.gz AFEAWPIPDWLGNY-INIZCTEOSA-N 1 0 388.258 1.478 20 0 GDADRO COc1ncc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c(C)c1Br ZINC000657591911 532010009 /nfs/dbraw/zinc/01/00/09/532010009.db2.gz NQESFKUVDZSUKV-SECBINFHSA-N 1 0 387.278 1.556 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(CNS(C)(=O)=O)CC1)c1cccs1 ZINC000284939703 532008632 /nfs/dbraw/zinc/00/86/32/532008632.db2.gz DARGBUICNGUUFP-AWEZNQCLSA-N 1 0 388.559 1.322 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000631955221 532009223 /nfs/dbraw/zinc/00/92/23/532009223.db2.gz GRDFBAOESGIKRV-GZMMTYOYSA-N 1 0 388.291 1.219 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000575236363 532011408 /nfs/dbraw/zinc/01/14/08/532011408.db2.gz HQQSELMOMVHKAJ-QLFBSQMISA-N 1 0 380.286 1.680 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1C ZINC000271382556 532010285 /nfs/dbraw/zinc/01/02/85/532010285.db2.gz IMEBPCOKKJHABM-MRXNPFEDSA-N 1 0 386.543 1.462 20 0 GDADRO O=C(CNC(=O)N1CC[C@H](c2cccc(Br)c2)C1)N1CC[NH2+]CC1 ZINC000575236167 532010758 /nfs/dbraw/zinc/01/07/58/532010758.db2.gz JSOPLNFHSGWILS-AWEZNQCLSA-N 1 0 395.301 1.380 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1cccc(I)c1 ZINC000420447489 532014628 /nfs/dbraw/zinc/01/46/28/532014628.db2.gz JRRRMIDEAIRQBJ-LLVKDONJSA-N 1 0 382.267 1.943 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(Br)c1 ZINC000420452939 532015539 /nfs/dbraw/zinc/01/55/39/532015539.db2.gz JMXANAAJQSIPEC-GXSJLCMTSA-N 1 0 391.287 1.641 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000271453837 532015849 /nfs/dbraw/zinc/01/58/49/532015849.db2.gz IRCGMDQPFPJIGG-AWEZNQCLSA-N 1 0 389.949 1.994 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1F ZINC000599230888 532015885 /nfs/dbraw/zinc/01/58/85/532015885.db2.gz YEMXHARDAUBBTM-UHFFFAOYSA-N 1 0 376.425 1.714 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)c(Br)c1 ZINC000420452064 532016142 /nfs/dbraw/zinc/01/61/42/532016142.db2.gz SADOWJVHBGASLK-LBPRGKRZSA-N 1 0 393.303 1.887 20 0 GDADRO O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000575916710 532017729 /nfs/dbraw/zinc/01/77/29/532017729.db2.gz ZYFOTJCUDVQCAF-CYBMUJFWSA-N 1 0 387.502 1.077 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000576284692 532021418 /nfs/dbraw/zinc/02/14/18/532021418.db2.gz GXNFTEZBEWWESP-HIFRSBDPSA-N 1 0 387.933 1.701 20 0 GDADRO C[NH+](C)CCN(Cc1cn(CC(N)=O)nn1)Cc1ccc(Br)cc1 ZINC000459558114 532022784 /nfs/dbraw/zinc/02/27/84/532022784.db2.gz KZUOIMNDDKKEEU-UHFFFAOYSA-N 1 0 395.305 1.090 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1[nH]nc2ccc(Br)cc21 ZINC000371634638 532024468 /nfs/dbraw/zinc/02/44/68/532024468.db2.gz LULUOMQKRWKEAM-RYUDHWBXSA-N 1 0 379.258 1.918 20 0 GDADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000632408782 532026957 /nfs/dbraw/zinc/02/69/57/532026957.db2.gz VASLGBOWTISADH-UHFFFAOYSA-N 1 0 385.555 1.758 20 0 GDADRO C[C@H](NCC(=O)NCC(=O)Nc1ccccc1Br)c1ccn(C)n1 ZINC000459769914 532028089 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398.301 1.942 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cn2ccc(Br)cc2n1 ZINC000285595443 532098309 /nfs/dbraw/zinc/09/83/09/532098309.db2.gz WFAVCEIRMMFMSW-UHFFFAOYSA-N 1 0 381.274 1.673 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000373885704 532101225 /nfs/dbraw/zinc/10/12/25/532101225.db2.gz MTGOOBCMOLYRME-FZMZJTMJSA-N 1 0 388.331 1.888 20 0 GDADRO COc1ncc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1Br ZINC000424649927 532103294 /nfs/dbraw/zinc/10/32/94/532103294.db2.gz BFBINTSTAZZYCR-LBPRGKRZSA-N 1 0 385.306 1.466 20 0 GDADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000285686103 532105159 /nfs/dbraw/zinc/10/51/59/532105159.db2.gz VCYZZNMOKHJREB-INIZCTEOSA-N 1 0 388.295 1.697 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000285696200 532105839 /nfs/dbraw/zinc/10/58/39/532105839.db2.gz GDMFPDVTBGUMQR-UHFFFAOYSA-N 1 0 385.511 1.843 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)CSCc3cc(=O)n4ccsc4n3)[C@@H]2C1 ZINC000272588759 532106130 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GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000272773240 532113632 /nfs/dbraw/zinc/11/36/32/532113632.db2.gz FTKSRYHKDAETDY-UHFFFAOYSA-N 1 0 381.420 1.614 20 0 GDADRO CC(C)c1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000272807383 532115441 /nfs/dbraw/zinc/11/54/41/532115441.db2.gz GEDXQMHNVWFMDL-JTQLQIEISA-N 1 0 383.499 1.598 20 0 GDADRO Cc1nc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)sc1S(N)(=O)=O ZINC000374531695 532126406 /nfs/dbraw/zinc/12/64/06/532126406.db2.gz SAVOACPFDZKNHQ-TXEJJXNPSA-N 1 0 388.559 1.425 20 0 GDADRO Cc1cc(F)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(F)c1 ZINC000425198873 532126795 /nfs/dbraw/zinc/12/67/95/532126795.db2.gz BMOPCQQKIMQBGP-LBPRGKRZSA-N 1 0 375.441 1.139 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@@H]1[NH+](C)C ZINC000330557300 532127409 /nfs/dbraw/zinc/12/74/09/532127409.db2.gz WLCAYEVJXMZASO-UONOGXRCSA-N 1 0 391.946 1.829 20 0 GDADRO O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000272989990 532127737 /nfs/dbraw/zinc/12/77/37/532127737.db2.gz FIPDVCFMFFNUBM-IUODEOHRSA-N 1 0 380.286 1.779 20 0 GDADRO COc1cc2[nH+]ccc(N3CCN(CC(N)=O)CC3)c2cc1Br ZINC000425206319 532128658 /nfs/dbraw/zinc/12/86/58/532128658.db2.gz JNRDAPZMLCHFRE-UHFFFAOYSA-N 1 0 379.258 1.613 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1)[N@H+](C)C1CC1 ZINC000286049169 532129051 /nfs/dbraw/zinc/12/90/51/532129051.db2.gz AREAEHOHENVZDC-MNOVXSKESA-N 1 0 383.290 1.620 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1)[N@H+](C)C1CC1 ZINC000286049174 532129079 /nfs/dbraw/zinc/12/90/79/532129079.db2.gz AREAEHOHENVZDC-QWRGUYRKSA-N 1 0 383.290 1.620 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000286056066 532129215 /nfs/dbraw/zinc/12/92/15/532129215.db2.gz LPBPQJHIYBLZFW-KKFJDGPESA-N 1 0 390.303 1.213 20 0 GDADRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000286101321 532131494 /nfs/dbraw/zinc/13/14/94/532131494.db2.gz LASKPEAIXXILPD-GJZGRUSLSA-N 1 0 381.527 1.830 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1Br ZINC000273067647 532132002 /nfs/dbraw/zinc/13/20/02/532132002.db2.gz USIPBJNZGIUDKM-SNVBAGLBSA-N 1 0 390.303 1.039 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@@H](CO)c2ccc(Br)cc2)C1 ZINC000273103842 532134490 /nfs/dbraw/zinc/13/44/90/532134490.db2.gz MPNDGFKQBOOUGN-WFASDCNBSA-N 1 0 391.331 1.744 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000331780234 532152535 /nfs/dbraw/zinc/15/25/35/532152535.db2.gz PKWHTRPPASXQPA-RWEMILLDSA-N 1 0 380.242 1.382 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c(C)o1 ZINC000273528290 532154681 /nfs/dbraw/zinc/15/46/81/532154681.db2.gz QPPNJNAWCKTQKP-ZIAGYGMSSA-N 1 0 387.527 1.148 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000425814388 532155699 /nfs/dbraw/zinc/15/56/99/532155699.db2.gz BKOKKAGWMKQKRV-XHDPSFHLSA-N 1 0 396.285 1.949 20 0 GDADRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000425507075 532141293 /nfs/dbraw/zinc/14/12/93/532141293.db2.gz FNCKXTJHEVADLV-UHFFFAOYSA-N 1 0 389.543 1.404 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC000273312232 532144901 /nfs/dbraw/zinc/14/49/01/532144901.db2.gz NQVANEHKKSMNNJ-HUUCEWRRSA-N 1 0 390.933 1.649 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000375072583 532145452 /nfs/dbraw/zinc/14/54/52/532145452.db2.gz XMOOCHZRJRVQNX-RYUDHWBXSA-N 1 0 377.869 1.362 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000286499812 532155522 /nfs/dbraw/zinc/15/55/22/532155522.db2.gz NIRDBRYRBQINKE-GFCCVEGCSA-N 1 0 390.311 1.771 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000331520496 532147625 /nfs/dbraw/zinc/14/76/25/532147625.db2.gz SJANPNXNSRIWCA-GFCCVEGCSA-N 1 0 375.304 1.345 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000332161215 532167685 /nfs/dbraw/zinc/16/76/85/532167685.db2.gz SQRVEPQVWIGYCI-CYBMUJFWSA-N 1 0 380.286 1.715 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC[C@@H]1[NH3+] ZINC000332168771 532168491 /nfs/dbraw/zinc/16/84/91/532168491.db2.gz RKVGXRNFXMYSHC-SWHYSGLUSA-N 1 0 396.285 1.585 20 0 GDADRO CCn1c2ccc(S(=O)(=O)N3C[C@H](SC)[C@@H]([NH+](C)C)C3)cc2oc1=O ZINC000331919433 532156286 /nfs/dbraw/zinc/15/62/86/532156286.db2.gz TUYQRLHAQPLQGC-ZFWWWQNUSA-N 1 0 385.511 1.281 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)cc2)C[C@H]1[NH+]1CCCC1 ZINC000273565459 532157560 /nfs/dbraw/zinc/15/75/60/532157560.db2.gz YEPVJOLBFOPCNJ-IAGOWNOFSA-N 1 0 382.551 1.883 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000332038456 532161598 /nfs/dbraw/zinc/16/15/98/532161598.db2.gz KBBSWSOTYVCATN-BXUZGUMPSA-N 1 0 381.274 1.644 20 0 GDADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000273686768 532165082 /nfs/dbraw/zinc/16/50/82/532165082.db2.gz LBRCYDZZGRCLIJ-GJZGRUSLSA-N 1 0 386.543 1.412 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@@H]1[NH+](C)C ZINC000273957263 532178222 /nfs/dbraw/zinc/17/82/22/532178222.db2.gz YYHHWPXQNTZWSX-NWDGAFQWSA-N 1 0 389.319 1.657 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000332323275 532180318 /nfs/dbraw/zinc/18/03/18/532180318.db2.gz NXWLNMZSFDGQNO-OLZOCXBDSA-N 1 0 388.331 1.973 20 0 GDADRO NC(=O)c1csc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000375747103 532181637 /nfs/dbraw/zinc/18/16/37/532181637.db2.gz UEYZCQXHSOXKFT-LLVKDONJSA-N 1 0 385.536 1.709 20 0 GDADRO CC[NH+]1CCN(CC(=O)N(CCO)Cc2cc(Br)cs2)CC1 ZINC000427551269 532185330 /nfs/dbraw/zinc/18/53/30/532185330.db2.gz WLZNCPJUMHMRJA-UHFFFAOYSA-N 1 0 390.347 1.469 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1C ZINC000273801455 532171523 /nfs/dbraw/zinc/17/15/23/532171523.db2.gz IECQHZOHSRXCTE-KBPBESRZSA-N 1 0 386.543 1.412 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427047222 532175164 /nfs/dbraw/zinc/17/51/64/532175164.db2.gz SSDAQVVDNRSJMY-HIFRSBDPSA-N 1 0 383.286 1.932 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F)C1CC1 ZINC000427090900 532175479 /nfs/dbraw/zinc/17/54/79/532175479.db2.gz ANXCQXDUCHDDKZ-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332254642 532175589 /nfs/dbraw/zinc/17/55/89/532175589.db2.gz CMMQFKRUFOEGBD-RKDXNWHRSA-N 1 0 388.212 1.734 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cnc3ccc(Br)cc3c2O)CCO1 ZINC000332505317 532191058 /nfs/dbraw/zinc/19/10/58/532191058.db2.gz FTDBZRJTWAFKGX-GFCCVEGCSA-N 1 0 394.269 1.693 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000332518377 532191736 /nfs/dbraw/zinc/19/17/36/532191736.db2.gz BFAQONYVHNSRPC-CYBMUJFWSA-N 1 0 394.313 1.975 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332540017 532193436 /nfs/dbraw/zinc/19/34/36/532193436.db2.gz CKOSNHSCPDPDAN-GHMZBOCLSA-N 1 0 384.249 1.903 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1Br ZINC000332543998 532194288 /nfs/dbraw/zinc/19/42/88/532194288.db2.gz FHSUGFNHEIRRHB-GHMZBOCLSA-N 1 0 384.249 1.903 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)s1 ZINC000376071696 532194693 /nfs/dbraw/zinc/19/46/93/532194693.db2.gz XTFYJUCLRVZOPX-UHFFFAOYSA-N 1 0 387.527 1.411 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000332573814 532195706 /nfs/dbraw/zinc/19/57/06/532195706.db2.gz CJADGJVPYGQOFV-UHFFFAOYSA-N 1 0 398.276 1.670 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)CC[C@@H]1[NH3+] ZINC000332567250 532195984 /nfs/dbraw/zinc/19/59/84/532195984.db2.gz ADSPEFWZYDZVJY-BONVTDFDSA-N 1 0 398.276 1.669 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1F ZINC000376134069 532197173 /nfs/dbraw/zinc/19/71/73/532197173.db2.gz VMWBNWCLWKVUIM-WFASDCNBSA-N 1 0 390.502 1.382 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)C[C@@H]1C[NH3+] ZINC000332603538 532198951 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C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000333783306 532249936 /nfs/dbraw/zinc/24/99/36/532249936.db2.gz DZNDUKHYSGEHRI-JSGCOSHPSA-N 1 0 386.543 1.198 20 0 GDADRO C[C@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC[C@@H]1[NH3+] ZINC000333813849 532250730 /nfs/dbraw/zinc/25/07/30/532250730.db2.gz PZBVUTMQYKPDIN-MJBXVCDLSA-N 1 0 386.543 1.280 20 0 GDADRO C[C@@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)[C@@H]1C[NH3+] ZINC000430597540 532253317 /nfs/dbraw/zinc/25/33/17/532253317.db2.gz QHJCAHJDWOBKLH-IUODEOHRSA-N 1 0 397.317 1.563 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000333867917 532253552 /nfs/dbraw/zinc/25/35/52/532253552.db2.gz UCMKHBQJQLIDFR-KCPJHIHWSA-N 1 0 395.301 1.772 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1ccsc1Br ZINC000287721469 532236571 /nfs/dbraw/zinc/23/65/71/532236571.db2.gz UXZJOHQHPUMCGK-SNVBAGLBSA-N 1 0 376.320 1.973 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cnc3sc(C)cn3c2=O)C[C@@H]1[NH+]1CCCC1 ZINC000274854073 532238128 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LAKAAIAPUWLHCN-JTQLQIEISA-N 1 0 393.656 1.578 20 0 GDADRO C[NH+](C)CCc1ccccc1NC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000275599888 532301726 /nfs/dbraw/zinc/30/17/26/532301726.db2.gz GPFCNJAFBJTFDP-UHFFFAOYSA-N 1 0 382.511 1.821 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Br)o2)C[N@@H+]1C1CC1 ZINC000288802682 532307963 /nfs/dbraw/zinc/30/79/63/532307963.db2.gz AALXXJTUDFQGHY-GHMZBOCLSA-N 1 0 384.274 1.742 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000289460528 532325023 /nfs/dbraw/zinc/32/50/23/532325023.db2.gz CJLCVYZUTABBPM-JTQLQIEISA-N 1 0 380.297 1.340 20 0 GDADRO COc1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1Br ZINC000275909980 532314528 /nfs/dbraw/zinc/31/45/28/532314528.db2.gz KRFFFFLJDWJCPC-UHFFFAOYSA-N 1 0 384.274 1.949 20 0 GDADRO CCN(C(=O)C[NH2+][C@@H](c1cccs1)C(C)(C)CO)[C@H]1CCS(=O)(=O)C1 ZINC000289315135 532321373 /nfs/dbraw/zinc/32/13/73/532321373.db2.gz JNBSIUYTOIDQFK-BBRMVZONSA-N 1 0 388.555 1.433 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276301098 532326568 /nfs/dbraw/zinc/32/65/68/532326568.db2.gz BHRMIVGVXNHIJX-GFCCVEGCSA-N 1 0 377.532 1.655 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)cc(COC)c2)CC1 ZINC000289537930 532327571 /nfs/dbraw/zinc/32/75/71/532327571.db2.gz SUEDSFAYLJUEED-UHFFFAOYSA-N 1 0 375.922 1.402 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000289610309 532329499 /nfs/dbraw/zinc/32/94/99/532329499.db2.gz AQQRYJKPZYYLGO-GXTWGEPZSA-N 1 0 384.274 1.425 20 0 GDADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289856644 532333112 /nfs/dbraw/zinc/33/31/12/532333112.db2.gz RKUYBDYYBSQJHH-OLZOCXBDSA-N 1 0 377.901 1.955 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000290027757 532335478 /nfs/dbraw/zinc/33/54/78/532335478.db2.gz FTSSDYPFEOPEKQ-NEPJUHHUSA-N 1 0 387.299 1.534 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC000359991939 209209783 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1 0 394.545 1.996 20 0 GDADRO COc1cccc2c1OCC[C@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737143657 598837352 /nfs/dbraw/zinc/83/73/52/598837352.db2.gz SKRXWSAIYGDXEU-BXUZGUMPSA-N 1 0 382.428 1.227 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000737522987 598853074 /nfs/dbraw/zinc/85/30/74/598853074.db2.gz FYKWBUBUZSOQRD-QGZVFWFLSA-N 1 0 379.472 1.560 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@]1(C)CCOC1 ZINC000736767430 598854400 /nfs/dbraw/zinc/85/44/00/598854400.db2.gz PUPYCJNNPVHTBE-IBGZPJMESA-N 1 0 387.488 1.367 20 0 GDADRO COC(=O)[C@@H]1CC12CC[NH+](Cn1ccc(-c3ccc(-c4nn[nH]n4)cc3)n1)CC2 ZINC000736908504 598870041 /nfs/dbraw/zinc/87/00/41/598870041.db2.gz LWQWGYMHNCLXOQ-INIZCTEOSA-N 1 0 393.451 1.963 20 0 GDADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000736267535 598870409 /nfs/dbraw/zinc/87/04/09/598870409.db2.gz SZPKBMHJQRFCNX-GFCCVEGCSA-N 1 0 396.492 1.795 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000736227665 598870458 /nfs/dbraw/zinc/87/04/58/598870458.db2.gz MBMQHRFQYZNNEV-BETUJISGSA-N 1 0 396.492 1.652 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736398762 598874298 /nfs/dbraw/zinc/87/42/98/598874298.db2.gz CWPKOYWQKXQTSX-ZDUSSCGKSA-N 1 0 382.465 1.549 20 0 GDADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738392423 598887763 /nfs/dbraw/zinc/88/77/63/598887763.db2.gz DCZDKBJAOWABRF-PMACEKPBSA-N 1 0 378.480 1.839 20 0 GDADRO CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736502141 598895972 /nfs/dbraw/zinc/89/59/72/598895972.db2.gz KNSBHPWAVODJKZ-YOEHRIQHSA-N 1 0 399.499 1.186 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736800022 598932424 /nfs/dbraw/zinc/93/24/24/598932424.db2.gz IORYEELUHOVZLA-UHFFFAOYSA-N 1 0 393.879 1.831 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736399415 598957626 /nfs/dbraw/zinc/95/76/26/598957626.db2.gz GGMNDJFFUJQYIJ-HNNXBMFYSA-N 1 0 378.502 1.718 20 0 GDADRO COc1ccc([C@H](CNC(=O)c2ccc(-c3nn[nH]n3)nc2)[NH+]2CCCC2)cc1 ZINC000737077853 598981764 /nfs/dbraw/zinc/98/17/64/598981764.db2.gz ZWQCEHAMSKISAY-SFHVURJKSA-N 1 0 393.451 1.837 20 0 GDADRO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736723333 598984153 /nfs/dbraw/zinc/98/41/53/598984153.db2.gz WQXPVKULXPALOU-HNNXBMFYSA-N 1 0 398.471 1.745 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](c2cnn(C)c2)C1 ZINC000737031852 598984577 /nfs/dbraw/zinc/98/45/77/598984577.db2.gz HWRRKMJVQRTRRH-OAHLLOKOSA-N 1 0 383.456 1.867 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000737033248 598984942 /nfs/dbraw/zinc/98/49/42/598984942.db2.gz SKLJRPPYPZHRNW-UHFFFAOYSA-N 1 0 383.456 1.867 20 0 GDADRO COCCOC1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000737004918 598987503 /nfs/dbraw/zinc/98/75/03/598987503.db2.gz CJKAKHKGOPLMDE-UHFFFAOYSA-N 1 0 377.445 1.382 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000736565575 599008161 /nfs/dbraw/zinc/00/81/61/599008161.db2.gz LVWRNYWCBCWMHX-NWDGAFQWSA-N 1 0 382.465 1.499 20 0 GDADRO OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738395628 599011338 /nfs/dbraw/zinc/01/13/38/599011338.db2.gz XQPGLRUBZKMINK-PMACEKPBSA-N 1 0 378.480 1.839 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C=Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736855394 599034805 /nfs/dbraw/zinc/03/48/05/599034805.db2.gz GIIURZKIQUNBID-XZVRFQMRSA-N 1 0 381.484 1.118 20 0 GDADRO NC(=O)[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730859 599097941 /nfs/dbraw/zinc/09/79/41/599097941.db2.gz NECJCXGEKLQAML-KRWDZBQOSA-N 1 0 397.483 1.164 20 0 GDADRO NC(=O)[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730149 599100675 /nfs/dbraw/zinc/10/06/75/599100675.db2.gz HNTYECNSYIBXEY-AEFFLSMTSA-N 1 0 377.452 1.652 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000737488502 599107103 /nfs/dbraw/zinc/10/71/03/599107103.db2.gz WHQQHRZIXVTQFP-FZMZJTMJSA-N 1 0 397.487 1.058 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000737488505 599107119 /nfs/dbraw/zinc/10/71/19/599107119.db2.gz WHQQHRZIXVTQFP-RISCZKNCSA-N 1 0 397.487 1.058 20 0 GDADRO CC1CC[NH+](C[C@H]2CCCN([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736277484 599132427 /nfs/dbraw/zinc/13/24/27/599132427.db2.gz XGMORSSTUMMXFW-APWZRJJASA-N 1 0 397.527 1.837 20 0 GDADRO COc1ccnc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737155303 599166839 /nfs/dbraw/zinc/16/68/39/599166839.db2.gz HJZKTRDIYALPFP-UHFFFAOYSA-N 1 0 393.451 1.618 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000737023267 599165168 /nfs/dbraw/zinc/16/51/68/599165168.db2.gz KAQLHLLUTOBBRB-INIZCTEOSA-N 1 0 390.488 1.737 20 0 GDADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000735735333 599200707 /nfs/dbraw/zinc/20/07/07/599200707.db2.gz SARGNQBJGGYLEB-RHSMWYFYSA-N 1 0 388.472 1.059 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000822865018 607313731 /nfs/dbraw/zinc/31/37/31/607313731.db2.gz SJXFDNYTIPLVLL-SFHVURJKSA-N 1 0 377.452 1.929 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000822217863 599272827 /nfs/dbraw/zinc/27/28/27/599272827.db2.gz PVELRQKUJYARRT-UHFFFAOYSA-N 1 0 386.504 1.665 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000736760972 599280425 /nfs/dbraw/zinc/28/04/25/599280425.db2.gz SCDCXQCJLXWLIX-INIZCTEOSA-N 1 0 397.414 1.363 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000736852913 599284463 /nfs/dbraw/zinc/28/44/63/599284463.db2.gz SJSVCBAEABFXFF-UHFFFAOYSA-N 1 0 397.361 1.034 20 0 GDADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821066720 607340247 /nfs/dbraw/zinc/34/02/47/607340247.db2.gz WLOMFEKVBMQPCG-UHFFFAOYSA-N 1 0 389.435 1.325 20 0 GDADRO C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[NH+]2CCCCCCC2)C1=O ZINC000736225114 598232854 /nfs/dbraw/zinc/23/28/54/598232854.db2.gz VVDSLNDPVPYCHT-IBGZPJMESA-N 1 0 383.456 1.857 20 0 GDADRO CC[N@H+](CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)[C@@H](C)C(C)C ZINC000736556508 598233367 /nfs/dbraw/zinc/23/33/67/598233367.db2.gz WKLPZZUAWQZDCA-ORAYPTAESA-N 1 0 385.472 1.958 20 0 GDADRO C[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1OCCc2ccccc21 ZINC000736791670 598257896 /nfs/dbraw/zinc/25/78/96/598257896.db2.gz BZNIPCNFGVNBNB-PXNSSMCTSA-N 1 0 395.463 1.852 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000736994054 598264199 /nfs/dbraw/zinc/26/41/99/598264199.db2.gz BYIABLKFFRJABF-UHFFFAOYSA-N 1 0 391.476 1.696 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C[C@H](C)O1 ZINC000736284611 598317509 /nfs/dbraw/zinc/31/75/09/598317509.db2.gz BTVGWXBISVYIGK-STQMWFEESA-N 1 0 391.451 1.304 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@H](n3ccnc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292192 598342465 /nfs/dbraw/zinc/34/24/65/598342465.db2.gz YEEAJBQSPIHHEM-IAGOWNOFSA-N 1 0 378.440 1.506 20 0 GDADRO CC[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000736408953 598344313 /nfs/dbraw/zinc/34/43/13/598344313.db2.gz LGHNBYQASGRVHC-AWEZNQCLSA-N 1 0 391.476 1.058 20 0 GDADRO C[NH+]1CCC(NC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736853878 598357862 /nfs/dbraw/zinc/35/78/62/598357862.db2.gz BDFCUFVOKGMXOZ-UHFFFAOYSA-N 1 0 382.424 1.863 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)COc1cccnc1 ZINC000736767801 598373706 /nfs/dbraw/zinc/37/37/06/598373706.db2.gz SHWUKODTJSMSOE-UHFFFAOYSA-N 1 0 381.440 1.231 20 0 GDADRO Oc1ccc2c(c1)CC[N@H+](C[C@@H](O)COc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000738401953 598375455 /nfs/dbraw/zinc/37/54/55/598375455.db2.gz YBOKMUYVZPSVGC-GOSISDBHSA-N 1 0 381.436 1.413 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736989425 598408774 /nfs/dbraw/zinc/40/87/74/598408774.db2.gz BHOPRNGLMOJEMW-UHFFFAOYSA-N 1 0 380.452 1.842 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000736769403 598424229 /nfs/dbraw/zinc/42/42/29/598424229.db2.gz RNFLQEMNBHLHAS-KHPPLWFESA-N 1 0 377.452 1.865 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1 ZINC000735876165 598432413 /nfs/dbraw/zinc/43/24/13/598432413.db2.gz WABFRMTTXIGACP-UHFFFAOYSA-N 1 0 395.471 1.237 20 0 GDADRO C[NH+]1CCC(CCNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1 ZINC000736848253 598437949 /nfs/dbraw/zinc/43/79/49/598437949.db2.gz KVFNJUFAXZHZML-UHFFFAOYSA-N 1 0 395.471 1.096 20 0 GDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736567645 598459620 /nfs/dbraw/zinc/45/96/20/598459620.db2.gz CMKZYIHXJXCCSI-UHFFFAOYSA-N 1 0 392.467 1.652 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736766557 598462421 /nfs/dbraw/zinc/46/24/21/598462421.db2.gz BNONAHYUFOCEPT-UHFFFAOYSA-N 1 0 387.394 1.744 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]([NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1C ZINC000737547199 598470951 /nfs/dbraw/zinc/47/09/51/598470951.db2.gz IIKWMYMQBINKNU-DZGCQCFKSA-N 1 0 387.488 1.964 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[nH]n2)C1 ZINC000736565703 598487043 /nfs/dbraw/zinc/48/70/43/598487043.db2.gz OETWCMOMZGNESG-NSHDSACASA-N 1 0 387.513 1.933 20 0 GDADRO CN1CCN(C(=O)c2ccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000736858418 598493338 /nfs/dbraw/zinc/49/33/38/598493338.db2.gz ZZUKEYUCUSPVES-UHFFFAOYSA-N 1 0 391.479 1.544 20 0 GDADRO C[NH+]1CCN(C[C@@H](NC(=O)c2sccc2-c2nn[nH]n2)c2ccccc2)CC1 ZINC000736864063 598500047 /nfs/dbraw/zinc/50/00/47/598500047.db2.gz ORANZYHHCNAANH-MRXNPFEDSA-N 1 0 397.508 1.647 20 0 GDADRO CNC(=O)CC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000736871389 598510012 /nfs/dbraw/zinc/51/00/12/598510012.db2.gz RSLNYGBZEWPTDT-UHFFFAOYSA-N 1 0 391.501 1.204 20 0 GDADRO Cc1ccc(CSCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737343642 598518867 /nfs/dbraw/zinc/51/88/67/598518867.db2.gz QYAUXEJGGSJASE-OAHLLOKOSA-N 1 0 384.513 1.936 20 0 GDADRO FC(F)(F)c1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737636469 598518913 /nfs/dbraw/zinc/51/89/13/598518913.db2.gz UBBUJKWGNDXNAQ-LBPRGKRZSA-N 1 0 392.389 1.956 20 0 GDADRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000737615708 598521825 /nfs/dbraw/zinc/52/18/25/598521825.db2.gz KPUOSHXHDXWFDQ-XJKSGUPXSA-N 1 0 390.455 1.218 20 0 GDADRO COc1cc2c(cc1C[NH2+]C[C@H]1CNc3c(-c4nn[nH]n4)cnn3C1)O[C@@H](C)C2 ZINC000737055272 598521952 /nfs/dbraw/zinc/52/19/52/598521952.db2.gz LTBBKEXENFUQGA-RYUDHWBXSA-N 1 0 396.455 1.227 20 0 GDADRO CCCOc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000736490242 598522138 /nfs/dbraw/zinc/52/21/38/598522138.db2.gz IWMZUMMVFKPNIB-AWEZNQCLSA-N 1 0 398.471 1.692 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000738384233 598524764 /nfs/dbraw/zinc/52/47/64/598524764.db2.gz DCSFLBJRHVCYMW-ZWKOTPCHSA-N 1 0 386.500 1.557 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000738347845 598526511 /nfs/dbraw/zinc/52/65/11/598526511.db2.gz OTIZHDVMSOFDIQ-HNNXBMFYSA-N 1 0 376.486 1.506 20 0 GDADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000738355920 598526663 /nfs/dbraw/zinc/52/66/63/598526663.db2.gz VWXPQKFZFWQPPV-HNNXBMFYSA-N 1 0 376.486 1.506 20 0 GDADRO CC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nnc2n1CCCCC2 ZINC000736369163 598529396 /nfs/dbraw/zinc/52/93/96/598529396.db2.gz GJYNQXKAPRQFKR-TZMCWYRMSA-N 1 0 397.491 1.164 20 0 GDADRO CC1(C)C[N@@H+](C2(CNC(=O)c3ccc(-c4nn[nH]n4)cn3)CCCCC2)CCO1 ZINC000736213582 598534712 /nfs/dbraw/zinc/53/47/12/598534712.db2.gz KKPMKXDLPWISBM-UHFFFAOYSA-N 1 0 399.499 1.805 20 0 GDADRO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736572313 598540488 /nfs/dbraw/zinc/54/04/88/598540488.db2.gz YEHJEFGFEMDVLS-UHFFFAOYSA-N 1 0 397.527 1.633 20 0 GDADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000736179326 598557134 /nfs/dbraw/zinc/55/71/34/598557134.db2.gz CNPODGPMHMOCEG-CABCVRRESA-N 1 0 388.472 1.203 20 0 GDADRO CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736739832 598590966 /nfs/dbraw/zinc/59/09/66/598590966.db2.gz UJFXEVUDLMHQRR-UHFFFAOYSA-N 1 0 394.483 1.229 20 0 GDADRO O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000737788945 598596933 /nfs/dbraw/zinc/59/69/33/598596933.db2.gz ABONRKSONBUEBQ-ZWKOTPCHSA-N 1 0 381.484 1.532 20 0 GDADRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843633 598618286 /nfs/dbraw/zinc/61/82/86/598618286.db2.gz LPVTVJICWWVQCT-TZMCWYRMSA-N 1 0 384.362 1.583 20 0 GDADRO O=C(CC[N@@H+](CCO)CC1CC1)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000737838367 598620113 /nfs/dbraw/zinc/62/01/13/598620113.db2.gz MHJLUWBMEIXDCY-UHFFFAOYSA-N 1 0 390.513 1.840 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000736267485 598689355 /nfs/dbraw/zinc/68/93/55/598689355.db2.gz SKSWWTWGLKBNBM-RYUDHWBXSA-N 1 0 382.465 1.405 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)C[NH+]1CCCCC1 ZINC000736026827 598691625 /nfs/dbraw/zinc/69/16/25/598691625.db2.gz RVAPDLZHVVGGRR-LBPRGKRZSA-N 1 0 382.465 1.406 20 0 GDADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000735733206 598696803 /nfs/dbraw/zinc/69/68/03/598696803.db2.gz DZUKNSLSEFLBNY-QAPCUYQASA-N 1 0 384.484 1.965 20 0 GDADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000737851054 598697604 /nfs/dbraw/zinc/69/76/04/598697604.db2.gz DHYMRQHYOROXQY-UHFFFAOYSA-N 1 0 398.511 1.951 20 0 GDADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736802234 598705288 /nfs/dbraw/zinc/70/52/88/598705288.db2.gz OXLPLCNRWGIUFJ-CYBMUJFWSA-N 1 0 384.362 1.341 20 0 GDADRO CN(CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000736788108 598707919 /nfs/dbraw/zinc/70/79/19/598707919.db2.gz PNJHQNPBVHFRII-CYBMUJFWSA-N 1 0 375.864 1.627 20 0 GDADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738344143 598711486 /nfs/dbraw/zinc/71/14/86/598711486.db2.gz VYZFJHYGVSWUKJ-UHFFFAOYSA-N 1 0 379.490 1.196 20 0 GDADRO CC(C)c1ccccc1OCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735933070 598713567 /nfs/dbraw/zinc/71/35/67/598713567.db2.gz SLBILHXHXOXWRJ-CQSZACIVSA-N 1 0 382.472 1.897 20 0 GDADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NC1CC[NH+](CCO)CC1 ZINC000735660216 598713651 /nfs/dbraw/zinc/71/36/51/598713651.db2.gz JVHSKGVGGSKJPQ-UHFFFAOYSA-N 1 0 376.465 1.001 20 0 GDADRO O=C([C@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1)N1CCCC1 ZINC000737789141 598728105 /nfs/dbraw/zinc/72/81/05/598728105.db2.gz BASRLFUYDWNUOD-HNNXBMFYSA-N 1 0 379.468 1.954 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)/C=C/C1CCOCC1 ZINC000736766585 598754918 /nfs/dbraw/zinc/75/49/18/598754918.db2.gz CURLMPAMFIJGDE-VOTSOKGWSA-N 1 0 384.484 1.740 20 0 GDADRO Cn1nccc1[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737628085 598759472 /nfs/dbraw/zinc/75/94/72/598759472.db2.gz NDTFYVJNHIZILO-YJBOKZPZSA-N 1 0 392.467 1.585 20 0 GDADRO Cc1noc([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)n1 ZINC000737534840 598761312 /nfs/dbraw/zinc/76/13/12/598761312.db2.gz MZCNSOQJZLMDJP-ZDUSSCGKSA-N 1 0 382.428 1.766 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000738387175 598762788 /nfs/dbraw/zinc/76/27/88/598762788.db2.gz NSEZPVTZVYQLRH-DOTOQJQBSA-N 1 0 395.467 1.435 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000736534570 598766257 /nfs/dbraw/zinc/76/62/57/598766257.db2.gz QUUMGDNOSFUIHX-UHFFFAOYSA-N 1 0 396.499 1.105 20 0 GDADRO CN(C)C(=O)c1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000736752828 598785841 /nfs/dbraw/zinc/78/58/41/598785841.db2.gz DEXMCPCAHHBTRQ-UHFFFAOYSA-N 1 0 392.467 1.286 20 0 GDADRO C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)CCN1CCCC1=O ZINC000736791803 598797023 /nfs/dbraw/zinc/79/70/23/598797023.db2.gz HQOODZVHFNMIEH-UHFFFAOYSA-N 1 0 391.863 1.403 20 0 GDADRO C[Si](C)(C)C[NH+]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737196711 598813401 /nfs/dbraw/zinc/81/34/01/598813401.db2.gz ZLTNTXBDXBFKRE-UHFFFAOYSA-N 1 0 380.550 1.050 20 0 GDADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736760636 598821591 /nfs/dbraw/zinc/82/15/91/598821591.db2.gz BGOQFLZBKYOFFK-OAHLLOKOSA-N 1 0 395.471 1.191 20 0 GDADRO CC(=O)N1CCCN([C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)CC1 ZINC000735464488 599297834 /nfs/dbraw/zinc/29/78/34/599297834.db2.gz BHEMBFDHOHYDFO-BEFAXECRSA-N 1 0 383.500 1.241 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736132429 599300098 /nfs/dbraw/zinc/30/00/98/599300098.db2.gz OABMCRBGBNFALJ-DCGLDWPTSA-N 1 0 397.483 1.430 20 0 GDADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(CCn2ccccc2=O)CC1 ZINC000736196534 599316403 /nfs/dbraw/zinc/31/64/03/599316403.db2.gz JHGPPBGLKPXNST-MRXNPFEDSA-N 1 0 379.468 1.407 20 0 GDADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000736198290 599320650 /nfs/dbraw/zinc/32/06/50/599320650.db2.gz RXLNLARDXHXTQP-CQSZACIVSA-N 1 0 377.452 1.849 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821625284 599362812 /nfs/dbraw/zinc/36/28/12/599362812.db2.gz KEVOOSOSVQMOAE-INIZCTEOSA-N 1 0 378.502 1.503 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000821614758 599370670 /nfs/dbraw/zinc/37/06/70/599370670.db2.gz UFYXGZRAQUDICG-INIZCTEOSA-N 1 0 398.492 1.762 20 0 GDADRO O=C(NC1CC1)[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000823144588 599383700 /nfs/dbraw/zinc/38/37/00/599383700.db2.gz JLKKDPWZKJCTQC-SFHVURJKSA-N 1 0 378.436 1.855 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000737799132 599391161 /nfs/dbraw/zinc/39/11/61/599391161.db2.gz JMXUCLTXTPABIL-NFAHFFEMSA-N 1 0 382.468 1.497 20 0 GDADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822496280 599395738 /nfs/dbraw/zinc/39/57/38/599395738.db2.gz HWNJERYEPNEENN-ZDUSSCGKSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C[C@@H](C)O1 ZINC000820760947 599406843 /nfs/dbraw/zinc/40/68/43/599406843.db2.gz UKZJTNLQGJJZKX-CHWSQXEVSA-N 1 0 391.451 1.304 20 0 GDADRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(F)cc2)cc1-c1nn[nH]n1 ZINC000821813559 599434438 /nfs/dbraw/zinc/43/44/38/599434438.db2.gz IUVFCYJNVXSNLW-UHFFFAOYSA-N 1 0 384.415 1.924 20 0 GDADRO COc1ccc2c(c1)OCC[C@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821854513 599449743 /nfs/dbraw/zinc/44/97/43/599449743.db2.gz LFKNTFCDCKSPEY-XHDPSFHLSA-N 1 0 382.428 1.227 20 0 GDADRO C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736113884 599452767 /nfs/dbraw/zinc/45/27/67/599452767.db2.gz SFVLROGRERIKQZ-LSDHHAIUSA-N 1 0 399.499 1.728 20 0 GDADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000736815026 599453775 /nfs/dbraw/zinc/45/37/75/599453775.db2.gz UNEMMZYQTKZMCP-MRXNPFEDSA-N 1 0 399.499 1.509 20 0 GDADRO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000736829109 599484963 /nfs/dbraw/zinc/48/49/63/599484963.db2.gz XPLDQSRGEVQQSW-UHFFFAOYSA-N 1 0 376.424 1.263 20 0 GDADRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737390902 599486477 /nfs/dbraw/zinc/48/64/77/599486477.db2.gz SOPZEXZEJJEJFE-QGZVFWFLSA-N 1 0 393.451 1.661 20 0 GDADRO C[N@H+](CCNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)Cc1ccccc1 ZINC000821602631 599490387 /nfs/dbraw/zinc/49/03/87/599490387.db2.gz LKXCINIHBHBBLJ-UHFFFAOYSA-N 1 0 387.469 1.058 20 0 GDADRO C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110394 599500775 /nfs/dbraw/zinc/50/07/75/599500775.db2.gz BBZSUCKJQHBWOY-OAHLLOKOSA-N 1 0 399.499 1.682 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000737293960 599502911 /nfs/dbraw/zinc/50/29/11/599502911.db2.gz IWAYFJIHNJKHMI-CQSZACIVSA-N 1 0 385.472 1.798 20 0 GDADRO CSC[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737175145 599506998 /nfs/dbraw/zinc/50/69/98/599506998.db2.gz BXHBACCPTRSTIS-ZDUSSCGKSA-N 1 0 377.518 1.691 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N[C@H](C)[C@@H](C)[NH+]3CCOCC3)c2c1 ZINC000822195335 599528964 /nfs/dbraw/zinc/52/89/64/599528964.db2.gz PBIQCWHAPWGJJG-HUUCEWRRSA-N 1 0 381.484 1.975 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)C[C@@H]1C ZINC000820479960 599531087 /nfs/dbraw/zinc/53/10/87/599531087.db2.gz DLWSIJKGIAXCCD-NWDGAFQWSA-N 1 0 387.875 1.960 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NCC3([NH+](C)C)CCOCC3)c2c1 ZINC000822195249 599558747 /nfs/dbraw/zinc/55/87/47/599558747.db2.gz LSEMHYWCPXPUNH-UHFFFAOYSA-N 1 0 381.484 1.976 20 0 GDADRO c1cc(-c2nnc(CN3CC[C@H](C[NH+]4CCCC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823737774 599579389 /nfs/dbraw/zinc/57/93/89/599579389.db2.gz KEBRAMQBVZBFBM-CQSZACIVSA-N 1 0 380.456 1.834 20 0 GDADRO C[C@@H]1CCCCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000736265782 599580182 /nfs/dbraw/zinc/58/01/82/599580182.db2.gz CYKWKGQELOSPDP-CQSZACIVSA-N 1 0 383.456 1.853 20 0 GDADRO C[C@@H]1CCCCC[N@@H+]1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736265801 599580324 /nfs/dbraw/zinc/58/03/24/599580324.db2.gz DBFKVPKHEUIRMN-CQSZACIVSA-N 1 0 383.456 1.853 20 0 GDADRO C[C@H]1CCCCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000736265781 599580464 /nfs/dbraw/zinc/58/04/64/599580464.db2.gz CYKWKGQELOSPDP-AWEZNQCLSA-N 1 0 383.456 1.853 20 0 GDADRO O=C1[C@H](N2CCC[C@@H]([NH+]3CCCC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292100 599590195 /nfs/dbraw/zinc/59/01/95/599590195.db2.gz WDKLFOFLCGAKOU-IEBWSBKVSA-N 1 0 395.511 1.922 20 0 GDADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)CC(=O)NCc1ccccc1 ZINC000736798409 599592003 /nfs/dbraw/zinc/59/20/03/599592003.db2.gz ZGAVSYAEXLFRSU-UHFFFAOYSA-N 1 0 380.452 1.884 20 0 GDADRO OCC[NH+]1CCN(Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000823722627 607386010 /nfs/dbraw/zinc/38/60/10/607386010.db2.gz UUJJRNBPUCWAOL-UHFFFAOYSA-N 1 0 394.479 1.556 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C)c1-c1nn[nH]n1 ZINC000821064964 599606880 /nfs/dbraw/zinc/60/68/80/599606880.db2.gz CPYIAFGOOAJXBT-OAHLLOKOSA-N 1 0 399.499 1.884 20 0 GDADRO O=C(NCCNc1ncccc1-c1nn[nH]n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738077530 599613609 /nfs/dbraw/zinc/61/36/09/599613609.db2.gz FDASXRRQQHSZQZ-HNNXBMFYSA-N 1 0 399.503 1.334 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821188899 599643412 /nfs/dbraw/zinc/64/34/12/599643412.db2.gz FJWNQCQVIWFQJW-CQSZACIVSA-N 1 0 375.477 1.679 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821188856 599643599 /nfs/dbraw/zinc/64/35/99/599643599.db2.gz DGEPOZVDFXYURA-MAUKXSAKSA-N 1 0 383.500 1.636 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821182567 599644470 /nfs/dbraw/zinc/64/44/70/599644470.db2.gz WTMBPIPXCVXVNJ-ZDUSSCGKSA-N 1 0 377.880 1.875 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820703478 599666704 /nfs/dbraw/zinc/66/67/04/599666704.db2.gz GATJWPBGAMSKCF-HNNXBMFYSA-N 1 0 387.488 1.809 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000821599186 599669095 /nfs/dbraw/zinc/66/90/95/599669095.db2.gz IWOMVKRDBNLDKJ-OAHLLOKOSA-N 1 0 387.492 1.189 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)CC1 ZINC000820128559 599695727 /nfs/dbraw/zinc/69/57/27/599695727.db2.gz QSIYHIRDUUCOTD-UHFFFAOYSA-N 1 0 384.488 1.031 20 0 GDADRO CCOC(=O)CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)CC1CC1 ZINC000821330559 607407836 /nfs/dbraw/zinc/40/78/36/607407836.db2.gz NQTUFHIOYFSBLQ-UHFFFAOYSA-N 1 0 390.444 1.680 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C[C@@H](C)O1 ZINC000824985329 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MATRWKNGLFUJOR-CQSZACIVSA-N 1 0 381.415 1.473 20 0 GDADRO O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826410747 607478183 /nfs/dbraw/zinc/47/81/83/607478183.db2.gz XABYTXROAITAAG-YJBOKZPZSA-N 1 0 381.484 1.754 20 0 GDADRO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000825985862 607496587 /nfs/dbraw/zinc/49/65/87/607496587.db2.gz DCEABOXZUZIKHE-OAHLLOKOSA-N 1 0 395.471 1.619 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826413111 607514404 /nfs/dbraw/zinc/51/44/04/607514404.db2.gz RKOKUMVCQHQSAR-YJBOKZPZSA-N 1 0 381.484 1.754 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476129 607528089 /nfs/dbraw/zinc/52/80/89/607528089.db2.gz BEOQDNBFFVFZEJ-XYJFISCASA-N 1 0 382.468 1.721 20 0 GDADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C1CC1 ZINC000826150475 607530614 /nfs/dbraw/zinc/53/06/14/607530614.db2.gz FMWZPRKFPIGTDL-CABZTGNLSA-N 1 0 376.486 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607614149 /nfs/dbraw/zinc/61/41/49/607614149.db2.gz YPBSHQLMNAKDNB-UHFFFAOYSA-N 1 0 396.492 1.940 20 0 GDADRO O=S(=O)(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1-c1nn[nH]n1 ZINC000826490110 607617351 /nfs/dbraw/zinc/61/73/51/607617351.db2.gz JZEPHZBZAUUPAM-INIZCTEOSA-N 1 0 398.492 1.810 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(OC)c(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000825453229 607625775 /nfs/dbraw/zinc/62/57/75/607625775.db2.gz UPPHTFSCIVSXPI-BBRMVZONSA-N 1 0 387.488 1.747 20 0 GDADRO O=C([O-])NCC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000832438595 603649134 /nfs/dbraw/zinc/64/91/34/603649134.db2.gz XHBHZNLPYQRQSO-UHFFFAOYSA-N 1 0 389.500 1.538 20 0 GDADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000824977279 607653847 /nfs/dbraw/zinc/65/38/47/607653847.db2.gz PZSRZJSPGKVHMZ-GXFFZTMASA-N 1 0 384.893 1.527 20 0 GDADRO COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000831918139 604365593 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390.513 1.696 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821596826 606096904 /nfs/dbraw/zinc/09/69/04/606096904.db2.gz WDNRDMBUOXOZGE-VQIMIIECSA-N 1 0 395.511 1.636 20 0 GDADRO Cc1noc(CCCN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822528045 606097388 /nfs/dbraw/zinc/09/73/88/606097388.db2.gz QFXPUQZUOXJHFK-UHFFFAOYSA-N 1 0 382.472 1.699 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596653 606097882 /nfs/dbraw/zinc/09/78/82/606097882.db2.gz QTYGVQJGTCIAMQ-SJLPKXTDSA-N 1 0 386.500 1.270 20 0 GDADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000822723608 606102182 /nfs/dbraw/zinc/10/21/82/606102182.db2.gz HSSLYYLFXKAJLR-NSHDSACASA-N 1 0 383.378 1.439 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000821189995 606140580 /nfs/dbraw/zinc/14/05/80/606140580.db2.gz XEKIOASUALUXDY-CQSZACIVSA-N 1 0 382.472 1.747 20 0 GDADRO CC(C)OCC[NH+]1CCC(NC(=O)COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820145739 606152895 /nfs/dbraw/zinc/15/28/95/606152895.db2.gz FSQQOVHVBISGSQ-UHFFFAOYSA-N 1 0 388.472 1.251 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)n1 ZINC000822609563 606157488 /nfs/dbraw/zinc/15/74/88/606157488.db2.gz QDQNIIQORWERKU-UHFFFAOYSA-N 1 0 387.492 1.720 20 0 GDADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 ZINC000821061026 606171272 /nfs/dbraw/zinc/17/12/72/606171272.db2.gz KJBXMPNJTDSGSB-UHFFFAOYSA-N 1 0 375.481 1.576 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000821614621 606173050 /nfs/dbraw/zinc/17/30/50/606173050.db2.gz NLEJMINVGLZFOO-CQSZACIVSA-N 1 0 381.444 1.338 20 0 GDADRO CC(C)[NH2+]C1CCN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820137591 606187214 /nfs/dbraw/zinc/18/72/14/606187214.db2.gz LCXQUZLPRQZESS-UHFFFAOYSA-N 1 0 378.502 1.103 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820137859 606187493 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ZINC000826077831 608568961 /nfs/dbraw/zinc/56/89/61/608568961.db2.gz XEVZTOYYSPDAMH-UHFFFAOYSA-N 1 0 385.432 1.218 20 0 GDADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)cn1 ZINC000826359858 608858350 /nfs/dbraw/zinc/85/83/50/608858350.db2.gz RRIILDGUGURYFT-NVXWUHKLSA-N 1 0 393.455 1.336 20 0 GDADRO C[NH+]1CCC(C)(CNC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000826023189 609173299 /nfs/dbraw/zinc/17/32/99/609173299.db2.gz YPVANRGOEPVFCE-UHFFFAOYSA-N 1 0 399.499 1.824 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000825848249 609207237 /nfs/dbraw/zinc/20/72/37/609207237.db2.gz AUZVHVNMDGTPFT-IRXDYDNUSA-N 1 0 384.415 1.458 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825865391 609215449 /nfs/dbraw/zinc/21/54/49/609215449.db2.gz CEFAVZCCDVDPQJ-SFHVURJKSA-N 1 0 398.442 1.630 20 0 GDADRO C[NH+](C)C1(CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)Cc2ccccc2C1 ZINC000825848483 609236596 /nfs/dbraw/zinc/23/65/96/609236596.db2.gz DLVFREPGMSAFEX-GOSISDBHSA-N 1 0 392.463 1.116 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824272111 609255911 /nfs/dbraw/zinc/25/59/11/609255911.db2.gz UHWWBVJLKXFFPC-AWEZNQCLSA-N 1 0 392.529 1.968 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000826175799 609297231 /nfs/dbraw/zinc/29/72/31/609297231.db2.gz QUAPRWGWIDCFDM-UHFFFAOYSA-N 1 0 388.472 1.444 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824650363 609318303 /nfs/dbraw/zinc/31/83/03/609318303.db2.gz QZWQVTWYKFGPEM-UONOGXRCSA-N 1 0 390.513 1.798 20 0 GDADRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCOCC1 ZINC000824426817 609334988 /nfs/dbraw/zinc/33/49/88/609334988.db2.gz JACXDHCIWSBCDY-AWEZNQCLSA-N 1 0 382.472 1.078 20 0 GDADRO Cn1cc(C[NH2+]CCN2CCOCC2(C)C)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361953 609338835 /nfs/dbraw/zinc/33/88/35/609338835.db2.gz XHIAUJGYMKBPFJ-UHFFFAOYSA-N 1 0 396.499 1.468 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360915 609339894 /nfs/dbraw/zinc/33/98/94/609339894.db2.gz CPJLWBVPWKMELK-ZBFHGGJFSA-N 1 0 380.456 1.401 20 0 GDADRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CN(C)CCO1 ZINC000824627139 609342407 /nfs/dbraw/zinc/34/24/07/609342407.db2.gz VCYCOLHKBULYMJ-DYVFJYSZSA-N 1 0 382.472 1.076 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cn1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000826413733 609395711 /nfs/dbraw/zinc/39/57/11/609395711.db2.gz OYVIPXOIYUUGBA-UHFFFAOYSA-N 1 0 384.488 1.444 20 0 GDADRO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[C@H](C)C1 ZINC000823972542 609416067 /nfs/dbraw/zinc/41/60/67/609416067.db2.gz CDXLPVVLSYPODJ-BVGQSLNGSA-N 1 0 397.483 1.209 20 0 GDADRO c1ccc(N2CC[NH+](CCNc3nc4ccccn4c3-c3nn[nH]n3)CC2)cc1 ZINC000826521971 609460680 /nfs/dbraw/zinc/46/06/80/609460680.db2.gz GFCNEXZEDQHFKV-UHFFFAOYSA-N 1 0 389.467 1.749 20 0 GDADRO COc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)ccc1Br ZINC000530843101 649981920 /nfs/dbraw/zinc/98/19/20/649981920.db2.gz PYYMEALWKVCMRK-NSHDSACASA-N 1 0 384.274 1.854 20 0 GDADRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826411366 609498103 /nfs/dbraw/zinc/49/81/03/609498103.db2.gz WCRZPAUXQWSSNY-UHFFFAOYSA-N 1 0 398.858 1.676 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000825219094 609552302 /nfs/dbraw/zinc/55/23/02/609552302.db2.gz HLTIGSWEVSGRGJ-OLZOCXBDSA-N 1 0 396.904 1.767 20 0 GDADRO O=C1[C@@H]([NH2+]Cc2cnc3cnccn23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477147 609600842 /nfs/dbraw/zinc/60/08/42/609600842.db2.gz WNLWPPKSCIPWGB-INIZCTEOSA-N 1 0 389.423 1.195 20 0 GDADRO O=C(CC[N@H+]1CCSC[C@H]1CO)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000826407126 609603289 /nfs/dbraw/zinc/60/32/89/609603289.db2.gz BXTZBYCXNOJNPH-SNVBAGLBSA-N 1 0 394.526 1.155 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CCN3CCSCC3)CC2)cc1 ZINC000532229574 650019031 /nfs/dbraw/zinc/01/90/31/650019031.db2.gz XXYWXEXQDKJTFL-UHFFFAOYSA-N 1 0 383.583 1.787 20 0 GDADRO Cc1nc(C)c(S(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000532769807 650032247 /nfs/dbraw/zinc/03/22/47/650032247.db2.gz ZYTBLCUEEJYHRP-QGZVFWFLSA-N 1 0 381.523 1.675 20 0 GDADRO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)[C@H]1c1ccccc1 ZINC000534756749 650229784 /nfs/dbraw/zinc/22/97/84/650229784.db2.gz LFVAUACRUOESNA-RHSMWYFYSA-N 1 0 379.507 1.500 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)NCCNc1cc[nH+]cc1 ZINC000536014565 650263336 /nfs/dbraw/zinc/26/33/36/650263336.db2.gz MVRAXNHNYGQIMD-UHFFFAOYSA-N 1 0 391.269 1.614 20 0 GDADRO COCCCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000536978523 650285505 /nfs/dbraw/zinc/28/55/05/650285505.db2.gz QKOXEACUBFGXEZ-INIZCTEOSA-N 1 0 375.535 1.094 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N(CCC(F)(F)F)C[C@H](O)CO)c1ccsc1 ZINC000537368938 650290610 /nfs/dbraw/zinc/29/06/10/650290610.db2.gz POBVMKNXWJQWHY-QWHCGFSZSA-N 1 0 383.436 1.668 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000537980710 650302968 /nfs/dbraw/zinc/30/29/68/650302968.db2.gz JMQIKWGFPGMHRF-AWEZNQCLSA-N 1 0 398.349 1.568 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000538537139 650314211 /nfs/dbraw/zinc/31/42/11/650314211.db2.gz HZICXDPEDXQKAN-UHFFFAOYSA-N 1 0 389.484 1.938 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc([S@@](C)=O)cc1 ZINC000539369864 650333118 /nfs/dbraw/zinc/33/31/18/650333118.db2.gz QGSHWTBYPDRFRH-ZGVOWGSJSA-N 1 0 386.539 1.109 20 0 GDADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000540012222 650346388 /nfs/dbraw/zinc/34/63/88/650346388.db2.gz KACAWQLLYZAKJO-QWRGUYRKSA-N 1 0 379.935 1.573 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)CC1 ZINC000540567582 650363337 /nfs/dbraw/zinc/36/33/37/650363337.db2.gz LSQXBNGDHSHSJH-RUZDIDTESA-N 1 0 383.901 1.535 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000540985487 650375576 /nfs/dbraw/zinc/37/55/76/650375576.db2.gz KJWXMCDHYYZXBN-ZDUSSCGKSA-N 1 0 385.917 1.426 20 0 GDADRO O=c1n2ccccc2nn1CC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000541056008 650377095 /nfs/dbraw/zinc/37/70/95/650377095.db2.gz WDZQORBXCCFWFA-AWEZNQCLSA-N 1 0 377.242 1.582 20 0 GDADRO CSc1ccccc1C[C@H](C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000542162606 650399962 /nfs/dbraw/zinc/39/99/62/650399962.db2.gz QQBHZKMPAHXPTN-SOUVJXGZSA-N 1 0 384.567 1.869 20 0 GDADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000543839217 650430542 /nfs/dbraw/zinc/43/05/42/650430542.db2.gz QUCBCOVTZULYMT-OAHLLOKOSA-N 1 0 381.274 1.464 20 0 GDADRO COCCN(C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000544331645 650437974 /nfs/dbraw/zinc/43/79/74/650437974.db2.gz CSFOJRFFAYRDOI-HZPDHXFCSA-N 1 0 375.535 1.096 20 0 GDADRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000545506049 650459123 /nfs/dbraw/zinc/45/91/23/650459123.db2.gz GAZGIHKNWLZSEA-HUUCEWRRSA-N 1 0 398.301 1.725 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000545861759 650462643 /nfs/dbraw/zinc/46/26/43/650462643.db2.gz BWMLFYDYPYNBFH-SJCJKPOMSA-N 1 0 386.279 1.529 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2c(F)cccc2I)C1 ZINC000545878011 650463833 /nfs/dbraw/zinc/46/38/33/650463833.db2.gz BXLWXNSEYLENLN-ZDUSSCGKSA-N 1 0 378.185 1.227 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000547277664 650493867 /nfs/dbraw/zinc/49/38/67/650493867.db2.gz UDULMFPPQSYFSF-INIZCTEOSA-N 1 0 379.258 1.431 20 0 GDADRO C[C@@H]1C[N@@H+](CCCCNc2ncc(I)cn2)C[C@H](C)O1 ZINC000547328919 650495414 /nfs/dbraw/zinc/49/54/14/650495414.db2.gz OBWYTBIIZXJENE-TXEJJXNPSA-N 1 0 390.269 2.383 20 0 GDADRO O=S1(=O)CC[C@@H]([NH2+]C[C@]2(O)CCOC2)c2cc(Br)ccc21 ZINC000547826318 650517081 /nfs/dbraw/zinc/51/70/81/650517081.db2.gz FCEGTARCILSVTK-TZMCWYRMSA-N 1 0 376.272 1.409 20 0 GDADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cnc(-c3ccccc3)nc2)CCSC1 ZINC000548043477 650529135 /nfs/dbraw/zinc/52/91/35/650529135.db2.gz RAVUGMDFAVHUBY-KRWDZBQOSA-N 1 0 378.523 1.859 20 0 GDADRO COc1cc(OC)c(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1Br ZINC000548323486 650542841 /nfs/dbraw/zinc/54/28/41/650542841.db2.gz PRIXSUAYCKHPLJ-ZDUSSCGKSA-N 1 0 384.274 1.795 20 0 GDADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1cnn(CC(F)F)c1 ZINC000548626871 650558231 /nfs/dbraw/zinc/55/82/31/650558231.db2.gz KTEHORSARXVGGI-UHFFFAOYSA-N 1 0 378.445 1.072 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000549140258 650570902 /nfs/dbraw/zinc/57/09/02/650570902.db2.gz PLPDEEDVJFTGMZ-AWEZNQCLSA-N 1 0 391.896 1.748 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000549524327 650578410 /nfs/dbraw/zinc/57/84/10/650578410.db2.gz KABADHNAQFIADK-UHFFFAOYSA-N 1 0 388.555 1.776 20 0 GDADRO COCCCCS(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000550825184 650597228 /nfs/dbraw/zinc/59/72/28/650597228.db2.gz SJBLRRBOMCMFES-KRWDZBQOSA-N 1 0 378.579 1.936 20 0 GDADRO CN(Cc1cc(Cl)ccc1F)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550838622 650597427 /nfs/dbraw/zinc/59/74/27/650597427.db2.gz KATWSJXZFLTRJE-QGZVFWFLSA-N 1 0 387.908 1.991 20 0 GDADRO CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551015462 650599720 /nfs/dbraw/zinc/59/97/20/650599720.db2.gz RFSPNVBXLHNLAF-YNEHKIRRSA-N 1 0 384.464 1.788 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCCS(C)(=O)=O ZINC000551287517 650603627 /nfs/dbraw/zinc/60/36/27/650603627.db2.gz WKGSMEWXJTZEOC-LBPRGKRZSA-N 1 0 379.320 1.804 20 0 GDADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H](C)C1 ZINC000551370628 650605232 /nfs/dbraw/zinc/60/52/32/650605232.db2.gz MCSNXYSBXPMYKW-HUBLWGQQSA-N 1 0 395.301 1.971 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000551816158 650612680 /nfs/dbraw/zinc/61/26/80/650612680.db2.gz GSOYQWJRBRRYBB-GFCCVEGCSA-N 1 0 376.316 1.909 20 0 GDADRO C[C@H](CNC(=O)CCn1cnc2ccc(Br)cc2c1=O)C[NH+](C)C ZINC000552578523 650629029 /nfs/dbraw/zinc/62/90/29/650629029.db2.gz NMBNRYDLAITTFB-GFCCVEGCSA-N 1 0 395.301 1.863 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000552688793 650631044 /nfs/dbraw/zinc/63/10/44/650631044.db2.gz RPORGLRBBBRCNS-HNNXBMFYSA-N 1 0 379.592 1.191 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000553096624 650638203 /nfs/dbraw/zinc/63/82/03/650638203.db2.gz WQFMKCDNARVISM-QLFBSQMISA-N 1 0 377.576 1.133 20 0 GDADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)C[C@@H](C)C1 ZINC000553784401 650657223 /nfs/dbraw/zinc/65/72/23/650657223.db2.gz OCIUCCNSFYMMFU-HOSYDEDBSA-N 1 0 391.946 1.851 20 0 GDADRO O=C(NC[C@@H]1CCSC1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000554161749 650669973 /nfs/dbraw/zinc/66/99/73/650669973.db2.gz DBGPTNONZURKFB-HNNXBMFYSA-N 1 0 385.599 1.724 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000555718665 650695139 /nfs/dbraw/zinc/69/51/39/650695139.db2.gz GKIYZCITIOJLRY-VXGBXAGGSA-N 1 0 385.310 1.235 20 0 GDADRO COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000555719314 650695152 /nfs/dbraw/zinc/69/51/52/650695152.db2.gz YDAFEYFZOOHPMI-NSHDSACASA-N 1 0 386.294 1.710 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000555880418 650697202 /nfs/dbraw/zinc/69/72/02/650697202.db2.gz KSQVLAINEROOMN-HOTGVXAUSA-N 1 0 375.307 1.353 20 0 GDADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C(C)(C)n1cncn1 ZINC000556252285 650701001 /nfs/dbraw/zinc/70/10/01/650701001.db2.gz KPYUJYVISHIKLQ-LLVKDONJSA-N 1 0 389.884 1.762 20 0 GDADRO CN(CC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)S(=O)(=O)c1cccs1 ZINC000556263963 650701164 /nfs/dbraw/zinc/70/11/64/650701164.db2.gz IOJIHJYBHAEPJD-OLZOCXBDSA-N 1 0 380.557 1.314 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556996361 650716192 /nfs/dbraw/zinc/71/61/92/650716192.db2.gz JOQNNFZZIGUDNV-CQSZACIVSA-N 1 0 380.286 1.760 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000557205052 650721244 /nfs/dbraw/zinc/72/12/44/650721244.db2.gz LSPNFKZZILBMTL-RQJABVFESA-N 1 0 379.258 1.071 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)cn1)C(=O)NCC[NH+]1CCCCC1 ZINC000559259021 650730508 /nfs/dbraw/zinc/73/05/08/650730508.db2.gz PQBHZTCOALTGDO-GFCCVEGCSA-N 1 0 383.290 1.565 20 0 GDADRO CCC[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000559293230 650731056 /nfs/dbraw/zinc/73/10/56/650731056.db2.gz NGTNBLDFWBGZTP-UHFFFAOYSA-N 1 0 394.324 1.826 20 0 GDADRO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ncc(Br)cn1 ZINC000559438750 650733463 /nfs/dbraw/zinc/73/34/63/650733463.db2.gz HFAWSTDTFLWPME-SNVBAGLBSA-N 1 0 382.266 1.880 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000563875175 650741611 /nfs/dbraw/zinc/74/16/11/650741611.db2.gz VQSCHTKRCVRGNS-RISCZKNCSA-N 1 0 383.290 1.476 20 0 GDADRO C[C@@H](NC(=O)CCOc1ccccc1Br)C(=O)NCC[NH+](C)C ZINC000564082302 650747769 /nfs/dbraw/zinc/74/77/69/650747769.db2.gz MTFCZHONWFTYPC-GFCCVEGCSA-N 1 0 386.290 1.401 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)COC1CC[NH2+]CC1 ZINC000564825151 650768762 /nfs/dbraw/zinc/76/87/62/650768762.db2.gz ZWGVLSQPRMCJJK-UHFFFAOYSA-N 1 0 384.274 1.581 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC[C@H]1CCC[NH2+]1 ZINC000564995437 650776169 /nfs/dbraw/zinc/77/61/69/650776169.db2.gz UCYZOHYDVGOQSM-SNVBAGLBSA-N 1 0 380.297 1.530 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000565157282 650783046 /nfs/dbraw/zinc/78/30/46/650783046.db2.gz NUWXIUJUKCTJCX-KCJUWKMLSA-N 1 0 376.276 1.048 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000565347446 650792832 /nfs/dbraw/zinc/79/28/32/650792832.db2.gz NAQGUNZERKMVBN-GFCCVEGCSA-N 1 0 398.305 1.754 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000565353029 650793189 /nfs/dbraw/zinc/79/31/89/650793189.db2.gz XRNGOGRGHDOCRG-CQSZACIVSA-N 1 0 397.317 1.501 20 0 GDADRO C[C@@H](C(=O)N(C)C1CC([NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000565362997 650793317 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COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000565727083 650810773 /nfs/dbraw/zinc/81/07/73/650810773.db2.gz CATBNOYUZKOKKR-BDAKNGLRSA-N 1 0 381.267 1.968 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000565775095 650812894 /nfs/dbraw/zinc/81/28/94/650812894.db2.gz GJIPOOVTDLSCHV-MNOVXSKESA-N 1 0 388.299 1.279 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1OC ZINC000566215587 650835561 /nfs/dbraw/zinc/83/55/61/650835561.db2.gz BJUZNCXAONIBNJ-JOYOIKCWSA-N 1 0 375.878 1.066 20 0 GDADRO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000566223508 650835567 /nfs/dbraw/zinc/83/55/67/650835567.db2.gz OUENSUYPDDXURB-GFCCVEGCSA-N 1 0 375.878 1.096 20 0 GDADRO O[C@H](CNC[C@@H](O)C[NH+]1CCCC1)COc1cc(F)cc(Br)c1 ZINC000566232956 650836527 /nfs/dbraw/zinc/83/65/27/650836527.db2.gz FNUWWIJLYDXQCZ-HUUCEWRRSA-N 1 0 391.281 1.374 20 0 GDADRO CN1CCN(S(=O)(=O)c2cc(Br)sc2Cl)[C@@H](C[NH3+])C1 ZINC000566300828 650839792 /nfs/dbraw/zinc/83/97/92/650839792.db2.gz PGSJMURVEZDPTO-ZETCQYMHSA-N 1 0 388.740 1.427 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(c3ccnc4c(Br)ccc(F)c34)CCN2C1=O ZINC000566489774 650852324 /nfs/dbraw/zinc/85/23/24/650852324.db2.gz ZDGBVTKWALJCCZ-SKDRFNHKSA-N 1 0 379.233 1.885 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000566806192 650867738 /nfs/dbraw/zinc/86/77/38/650867738.db2.gz PIPMONLAFBFOGS-OAHLLOKOSA-N 1 0 383.539 1.751 20 0 GDADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]C[C@H](C)S(C)(=O)=O)CC2)cc1 ZINC000566909413 650872818 /nfs/dbraw/zinc/87/28/18/650872818.db2.gz FNTQQIFSSZBVJX-AWEZNQCLSA-N 1 0 388.555 1.472 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000567169466 650890083 /nfs/dbraw/zinc/89/00/83/650890083.db2.gz RBKCDDVEDPWGHN-UHFFFAOYSA-N 1 0 382.313 1.728 20 0 GDADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc(Br)c2c1OCCC2 ZINC000567289734 650897986 /nfs/dbraw/zinc/89/79/86/650897986.db2.gz PWDMYYCQGMXIAN-SFHVURJKSA-N 1 0 395.297 1.961 20 0 GDADRO C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=S)NCC[NH+](C)C ZINC000007662249 644213961 /nfs/dbraw/zinc/21/39/61/644213961.db2.gz FRCCZSKAYWZWSO-JTQLQIEISA-N 1 0 389.319 1.273 20 0 GDADRO CNC(=O)CN1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000567378011 650902507 /nfs/dbraw/zinc/90/25/07/650902507.db2.gz MJHLVIZVKAXOSU-CQSZACIVSA-N 1 0 390.311 1.533 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000567493710 650907819 /nfs/dbraw/zinc/90/78/19/650907819.db2.gz IBRLUBBGXDXDBD-OAHLLOKOSA-N 1 0 395.301 1.645 20 0 GDADRO CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000567499355 650907992 /nfs/dbraw/zinc/90/79/92/650907992.db2.gz VLCOWBMBVPWQSO-GUYCJALGSA-N 1 0 382.302 1.950 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000567627824 650912006 /nfs/dbraw/zinc/91/20/06/650912006.db2.gz AWJYEZRVUZVESO-DTWKUNHWSA-N 1 0 381.267 1.968 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000567663235 650913397 /nfs/dbraw/zinc/91/33/97/650913397.db2.gz KQUNWWBIAMHICN-KNXALSJPSA-N 1 0 392.301 1.936 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)NNC(=O)c2cc(Br)cn2C)C1 ZINC000046392107 644362937 /nfs/dbraw/zinc/36/29/37/644362937.db2.gz GAPDPYOGZGHKSN-LLVKDONJSA-N 1 0 386.294 1.464 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1csc([C@H]2CCCO2)n1 ZINC000567672081 650913951 /nfs/dbraw/zinc/91/39/51/650913951.db2.gz AIRDCTXOFCSRMS-NEPJUHHUSA-N 1 0 378.420 1.561 20 0 GDADRO CNS(=O)(=O)CC[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000567710550 650916173 /nfs/dbraw/zinc/91/61/73/650916173.db2.gz MWLKTNCXDQKOQE-CYBMUJFWSA-N 1 0 378.922 1.650 20 0 GDADRO O=[N+]([O-])c1nn(CN2CCC(C[NH+]3CCOCC3)CC2)cc1Br ZINC000055018019 644466819 /nfs/dbraw/zinc/46/68/19/644466819.db2.gz XBAPJQGVLCPDMI-UHFFFAOYSA-N 1 0 388.266 1.556 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000567884755 650927038 /nfs/dbraw/zinc/92/70/38/650927038.db2.gz KUDGVKUVLXZQTI-PWSUYJOCSA-N 1 0 379.404 1.193 20 0 GDADRO CCS(=O)(=O)NCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149107 644519438 /nfs/dbraw/zinc/51/94/38/644519438.db2.gz GMOLINQGJQBPED-UHFFFAOYSA-N 1 0 384.571 1.054 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000066126441 644540458 /nfs/dbraw/zinc/54/04/58/644540458.db2.gz RITMBHJUKXSSJQ-SNVBAGLBSA-N 1 0 392.319 1.557 20 0 GDADRO [NH2+]=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1 ZINC000066243278 644541268 /nfs/dbraw/zinc/54/12/68/644541268.db2.gz DYSLVPACNUJUPW-UHFFFAOYSA-N 1 0 380.495 1.905 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(CCC(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000568108835 650937385 /nfs/dbraw/zinc/93/73/85/650937385.db2.gz OVLXCLBFRGQHEE-KBPBESRZSA-N 1 0 381.274 1.022 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2nc(Br)cs2)C1 ZINC000119991210 644665438 /nfs/dbraw/zinc/66/54/38/644665438.db2.gz ICNZQNXFCISBDB-VIFPVBQESA-N 1 0 375.292 1.223 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000568241676 650942595 /nfs/dbraw/zinc/94/25/95/650942595.db2.gz WCRULSMQAORFLU-BBRMVZONSA-N 1 0 394.313 1.926 20 0 GDADRO [NH3+]C1CCC(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CC1 ZINC000123557598 644696806 /nfs/dbraw/zinc/69/68/06/644696806.db2.gz RRWCTBDEPLHFHI-UHFFFAOYSA-N 1 0 379.404 1.527 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000125001100 644711117 /nfs/dbraw/zinc/71/11/17/644711117.db2.gz LEEWPESNPPKQLB-VHSXEESVSA-N 1 0 391.287 1.784 20 0 GDADRO C[NH+](C)C1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000127898110 644727843 /nfs/dbraw/zinc/72/78/43/644727843.db2.gz KHOKEEBZFUVLSA-UHFFFAOYSA-N 1 0 375.441 1.647 20 0 GDADRO Cn1cc(C[N@H+](C)CCc2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)n1 ZINC000130992737 644742437 /nfs/dbraw/zinc/74/24/37/644742437.db2.gz SPVGVTFABBIITB-UHFFFAOYSA-N 1 0 376.404 1.761 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccn3c(I)cnc23)C[C@H](C)[NH2+]1 ZINC000153295960 644794674 /nfs/dbraw/zinc/79/46/74/644794674.db2.gz KZWJNXIQQGHZAO-AOOOYVTPSA-N 1 0 384.221 1.761 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(Br)o1 ZINC000154364392 644803746 /nfs/dbraw/zinc/80/37/46/644803746.db2.gz PQVVSGAFBXULTH-CYBMUJFWSA-N 1 0 393.259 1.203 20 0 GDADRO C#CCCN1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000154362268 644803895 /nfs/dbraw/zinc/80/38/95/644803895.db2.gz YYTUUWQQOQZFGG-UHFFFAOYSA-N 1 0 378.270 1.346 20 0 GDADRO COc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)CCc1nccs1 ZINC000157967664 644832426 /nfs/dbraw/zinc/83/24/26/644832426.db2.gz KGCDQVWCXKXQMW-UHFFFAOYSA-N 1 0 382.873 1.741 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000157995939 644833246 /nfs/dbraw/zinc/83/32/46/644833246.db2.gz LNLULDLADBPFNS-NSHDSACASA-N 1 0 385.536 1.851 20 0 GDADRO C[NH+](C)C1CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 ZINC000158497208 644836000 /nfs/dbraw/zinc/83/60/00/644836000.db2.gz WBWOHYDJOJRLQS-UHFFFAOYSA-N 1 0 385.917 1.901 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000159901449 644843895 /nfs/dbraw/zinc/84/38/95/644843895.db2.gz 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644959520 /nfs/dbraw/zinc/95/95/20/644959520.db2.gz HJXGWWAVIFZCNR-UHFFFAOYSA-N 1 0 377.304 1.876 20 0 GDADRO CN1C(=O)CN(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000182271935 644960854 /nfs/dbraw/zinc/96/08/54/644960854.db2.gz DERGVLQUQXGNBM-UHFFFAOYSA-N 1 0 382.258 1.896 20 0 GDADRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000183177533 644967776 /nfs/dbraw/zinc/96/77/76/644967776.db2.gz HHSSHLBDUPKSRH-LBPRGKRZSA-N 1 0 388.964 1.847 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000568663838 650966824 /nfs/dbraw/zinc/96/68/24/650966824.db2.gz DHHCTWFECVTOEK-JKSUJKDBSA-N 1 0 375.535 1.216 20 0 GDADRO C[NH+](C)CC1(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)CCCC1 ZINC000185447037 644986265 /nfs/dbraw/zinc/98/62/65/644986265.db2.gz YLYNLTMWZOITPR-UHFFFAOYSA-N 1 0 386.294 1.843 20 0 GDADRO O=C(CC[NH+]1CCC(C(=O)C(F)(F)F)CC1)NC(=O)NCC(F)(F)F ZINC000186061885 644989638 /nfs/dbraw/zinc/98/96/38/644989638.db2.gz MMBATMNVUQOAEM-UHFFFAOYSA-N 1 0 377.285 1.608 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000186829448 644996303 /nfs/dbraw/zinc/99/63/03/644996303.db2.gz LFCDXDXZXJGEFJ-GZMMTYOYSA-N 1 0 393.278 1.720 20 0 GDADRO Cc1ccc(Br)nc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000191063870 645026671 /nfs/dbraw/zinc/02/66/71/645026671.db2.gz LJWCNCMHCRRDOP-UHFFFAOYSA-N 1 0 395.301 1.533 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(Br)o1 ZINC000193406124 645050912 /nfs/dbraw/zinc/05/09/12/645050912.db2.gz NCWMBIONMGXIFM-YUMQZZPRSA-N 1 0 381.248 1.105 20 0 GDADRO CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N1CC[NH2+]CC1 ZINC000236855258 645081030 /nfs/dbraw/zinc/08/10/30/645081030.db2.gz SVIJRYDQLXFOFC-OAHLLOKOSA-N 1 0 397.317 1.849 20 0 GDADRO CN(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C1CCC([NH3+])CC1 ZINC000237202848 645084171 /nfs/dbraw/zinc/08/41/71/645084171.db2.gz RLNANUFXXKBLSK-UHFFFAOYSA-N 1 0 375.441 1.362 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c(Br)o1 ZINC000237204755 645084314 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CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261904349 645119318 /nfs/dbraw/zinc/11/93/18/645119318.db2.gz ZOVVHNFOIBSRSU-LBPRGKRZSA-N 1 0 385.452 1.191 20 0 GDADRO [NH3+]C[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)c1ccc2ccccc2c1 ZINC000262029645 645121390 /nfs/dbraw/zinc/12/13/90/645121390.db2.gz JQXADSYFBNADLS-QGZVFWFLSA-N 1 0 382.507 1.336 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000262272659 645127002 /nfs/dbraw/zinc/12/70/02/645127002.db2.gz KPMJGLGSAQRMBP-JTQLQIEISA-N 1 0 390.303 1.298 20 0 GDADRO Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000569176450 650986950 /nfs/dbraw/zinc/98/69/50/650986950.db2.gz SGPIOUBYCKFAFU-KRWDZBQOSA-N 1 0 385.555 1.135 20 0 GDADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](CO)c3ccc(Br)cc3)C2=O)n(C)n1 ZINC000292071491 645200013 /nfs/dbraw/zinc/20/00/13/645200013.db2.gz CSPTVBSZFMLXLM-CABCVRRESA-N 1 0 393.285 1.920 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN(C)CC(=O)Nc1ccccc1Br ZINC000569234568 650990209 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CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2sc(S(N)(=O)=O)cc2C)C1 ZINC000329203715 645302260 /nfs/dbraw/zinc/30/22/60/645302260.db2.gz WKXHUQRUFBTHQZ-STQMWFEESA-N 1 0 387.527 1.029 20 0 GDADRO Brc1c[nH+]c(NCc2cnc3cnccn23)cc1N1CCOCC1 ZINC000569425257 650998983 /nfs/dbraw/zinc/99/89/83/650998983.db2.gz VDLQYEDYLQDNDZ-UHFFFAOYSA-N 1 0 389.257 2.336 20 0 GDADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OCC(F)(F)F)nc1 ZINC000329446756 645313738 /nfs/dbraw/zinc/31/37/38/645313738.db2.gz MAORCXHIMQWKLL-CHWSQXEVSA-N 1 0 379.404 1.928 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)s1 ZINC000329693437 645322243 /nfs/dbraw/zinc/32/22/43/645322243.db2.gz CLTUDVLKBUPWLU-VNHYZAJKSA-N 1 0 385.555 1.761 20 0 GDADRO C[S@](=O)Cc1cc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)ccc1Cl ZINC000569599008 651006055 /nfs/dbraw/zinc/00/60/55/651006055.db2.gz KBNWGGBAGGMHFQ-VWLOTQADSA-N 1 0 381.889 1.987 20 0 GDADRO COc1cc([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)ccc1S(C)(=O)=O ZINC000330638627 645389211 /nfs/dbraw/zinc/38/92/11/645389211.db2.gz BFWKARHXBLOXKK-GFCCVEGCSA-N 1 0 390.527 1.173 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000330654943 645393941 /nfs/dbraw/zinc/39/39/41/645393941.db2.gz NPGROQZHNSYIFA-DZGCQCFKSA-N 1 0 389.543 1.012 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)s1)CN1CC[NH+](C)CC1 ZINC000330751787 645409458 /nfs/dbraw/zinc/40/94/58/645409458.db2.gz BQNFMOIKMSWGIE-NSHDSACASA-N 1 0 396.376 1.672 20 0 GDADRO C[NH+](C)CC1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000330781726 645414988 /nfs/dbraw/zinc/41/49/88/645414988.db2.gz YMKTYMGZJHPYCZ-UHFFFAOYSA-N 1 0 379.935 1.480 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000330810804 645420928 /nfs/dbraw/zinc/42/09/28/645420928.db2.gz JPXNTEZPROTBHO-UHFFFAOYSA-N 1 0 393.351 1.954 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000331207838 645479541 /nfs/dbraw/zinc/47/95/41/645479541.db2.gz ZDUULDYGHGTYNM-OLZOCXBDSA-N 1 0 377.869 1.868 20 0 GDADRO CC(=O)N1CCC([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000569910323 651016735 /nfs/dbraw/zinc/01/67/35/651016735.db2.gz BQCLUUUHLQSMPM-OAHLLOKOSA-N 1 0 389.265 1.928 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000331463331 645514689 /nfs/dbraw/zinc/51/46/89/645514689.db2.gz KYXKVKWDOWBQSF-VXGBXAGGSA-N 1 0 386.315 1.537 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000569972851 651020222 /nfs/dbraw/zinc/02/02/22/651020222.db2.gz YRCFEKJVZZNDOC-TVQRCGJNSA-N 1 0 380.297 1.386 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570066403 651025097 /nfs/dbraw/zinc/02/50/97/651025097.db2.gz SXTAKFSQBRHROR-AAEUAGOBSA-N 1 0 387.267 1.386 20 0 GDADRO O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366464626 645588992 /nfs/dbraw/zinc/58/89/92/645588992.db2.gz VFXLLIGEQVRBAT-NHAGDIPZSA-N 1 0 387.299 1.337 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000570147445 651026972 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COC(=O)c1c(F)ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1F ZINC000370444005 645690523 /nfs/dbraw/zinc/69/05/23/645690523.db2.gz HKCMGDFDMZBEQA-NSHDSACASA-N 1 0 376.425 1.856 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000371121213 645727600 /nfs/dbraw/zinc/72/76/00/645727600.db2.gz DOTFUTGHHJYSMD-UHFFFAOYSA-N 1 0 389.543 1.289 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cncc(I)c1 ZINC000371122012 645727781 /nfs/dbraw/zinc/72/77/81/645727781.db2.gz WIMNLJFUFSWOSC-OLZOCXBDSA-N 1 0 387.221 1.279 20 0 GDADRO Cn1cc(Br)cc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000570444915 651040003 /nfs/dbraw/zinc/04/00/03/651040003.db2.gz ZWJIXZCSGQZUNL-DOMZBBRYSA-N 1 0 383.290 1.164 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cnc1Br ZINC000371679471 645753304 /nfs/dbraw/zinc/75/33/04/645753304.db2.gz DYEKOFSVBBRGLK-AAEUAGOBSA-N 1 0 381.274 1.834 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000372443297 645817454 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C[NH+](C)C1(CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000416297990 645900618 /nfs/dbraw/zinc/90/06/18/645900618.db2.gz BUHYYFPOZGBKKD-UHFFFAOYSA-N 1 0 396.285 1.775 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NCC3([NH+](C)C)CC3)s2)CC1 ZINC000416297991 645900831 /nfs/dbraw/zinc/90/08/31/645900831.db2.gz BUOZFVUJTCINAZ-UHFFFAOYSA-N 1 0 385.555 1.993 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCc2ccc(Br)cc2)C1 ZINC000417689276 645905928 /nfs/dbraw/zinc/90/59/28/645905928.db2.gz FZJQPPSQUTWMKV-AWEZNQCLSA-N 1 0 397.317 1.488 20 0 GDADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)NC1CC[NH2+]CC1 ZINC000418089303 645907930 /nfs/dbraw/zinc/90/79/30/645907930.db2.gz MBNPWLBKSVQUFJ-AWEZNQCLSA-N 1 0 381.274 1.606 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000419067716 645911003 /nfs/dbraw/zinc/91/10/03/645911003.db2.gz RYXLPQPCTVQITP-GFCCVEGCSA-N 1 0 387.267 1.070 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2ccsc2Br)[C@@H](C[NH3+])C1 ZINC000419183476 645914667 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GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)Cc2cc(Br)ccc2F)C1 ZINC000419483940 645919810 /nfs/dbraw/zinc/91/98/10/645919810.db2.gz VXWPBKXRMUAUIG-MFKMUULPSA-N 1 0 386.265 1.456 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)Oc1cccc(Br)c1 ZINC000419607514 645924573 /nfs/dbraw/zinc/92/45/73/645924573.db2.gz HGRWWTOQXSIQBL-QMTHXVAHSA-N 1 0 384.274 1.186 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1)C1CC1 ZINC000419865491 645932285 /nfs/dbraw/zinc/93/22/85/645932285.db2.gz PGTKVIHLDBMETC-TZMCWYRMSA-N 1 0 381.274 1.361 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000419869132 645932646 /nfs/dbraw/zinc/93/26/46/645932646.db2.gz CUTGQIPZBVLIAS-BXUZGUMPSA-N 1 0 384.249 1.730 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000419873276 645933079 /nfs/dbraw/zinc/93/30/79/645933079.db2.gz VFXKNAPSESMNFY-LSDHHAIUSA-N 1 0 386.279 1.747 20 0 GDADRO CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000419877241 645933648 /nfs/dbraw/zinc/93/36/48/645933648.db2.gz YBQPGRBTDBYHSR-UONOGXRCSA-N 1 0 396.285 1.585 20 0 GDADRO CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000419877240 645933709 /nfs/dbraw/zinc/93/37/09/645933709.db2.gz YBQPGRBTDBYHSR-KGLIPLIRSA-N 1 0 396.285 1.585 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1)C1CC1 ZINC000419877780 645933735 /nfs/dbraw/zinc/93/37/35/645933735.db2.gz YMQXZNRPOKLMGS-CQSZACIVSA-N 1 0 384.249 1.326 20 0 GDADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420189826 645938554 /nfs/dbraw/zinc/93/85/54/645938554.db2.gz FBJUEOKAQJWDTK-CQSZACIVSA-N 1 0 398.301 1.292 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1OC ZINC000420472298 645943203 /nfs/dbraw/zinc/94/32/03/645943203.db2.gz CJNSJCWXOVMENG-BXKDBHETSA-N 1 0 375.878 1.127 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420474148 645943770 /nfs/dbraw/zinc/94/37/70/645943770.db2.gz FOIYDGCLEIUVAH-CYBMUJFWSA-N 1 0 378.878 1.022 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000420670246 645949279 /nfs/dbraw/zinc/94/92/79/645949279.db2.gz HLBFFEBTHNWNIW-UHFFFAOYSA-N 1 0 384.832 1.676 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000570928351 651060791 /nfs/dbraw/zinc/06/07/91/651060791.db2.gz GICNNWGYALPCNZ-QWRGUYRKSA-N 1 0 381.420 1.616 20 0 GDADRO C[NH+](C)C1CCC(NC(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000421107924 645980951 /nfs/dbraw/zinc/98/09/51/645980951.db2.gz CNNXYZZFSZRHME-UHFFFAOYSA-N 1 0 381.278 2.486 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(CC(N)=O)CC1 ZINC000421348693 646007301 /nfs/dbraw/zinc/00/73/01/646007301.db2.gz GRNUPZLFZIIOAK-NSHDSACASA-N 1 0 398.301 1.708 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000421739749 646019892 /nfs/dbraw/zinc/01/98/92/646019892.db2.gz DVPWVXYVHFSDRS-LBPRGKRZSA-N 1 0 388.299 1.469 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1)C1CC1 ZINC000422254107 646052614 /nfs/dbraw/zinc/05/26/14/646052614.db2.gz AHVPTULPDFLQJC-UHFFFAOYSA-N 1 0 394.273 1.152 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000422382437 646062649 /nfs/dbraw/zinc/06/26/49/646062649.db2.gz SFGDCFVUJOHGPS-OCCSQVGLSA-N 1 0 397.317 1.962 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000422550132 646077552 /nfs/dbraw/zinc/07/75/52/646077552.db2.gz JUSNOIZMNJNRMB-UHFFFAOYSA-N 1 0 395.319 1.880 20 0 GDADRO CC(C)[C@@H](C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H](C)[NH3+] ZINC000422953046 646102778 /nfs/dbraw/zinc/10/27/78/646102778.db2.gz DUSZJNGXZKEUJT-IUODEOHRSA-N 1 0 389.543 1.005 20 0 GDADRO COC[C@]1(C(=O)NCC(=O)Nc2ccc(Br)cc2C)CC[NH2+]C1 ZINC000422946356 646102797 /nfs/dbraw/zinc/10/27/97/646102797.db2.gz WMQABDSXBQORJQ-INIZCTEOSA-N 1 0 384.274 1.438 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422955092 646103323 /nfs/dbraw/zinc/10/33/23/646103323.db2.gz KTYZWKNOOLETNO-UHFFFAOYSA-N 1 0 396.285 1.299 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422956850 646103390 /nfs/dbraw/zinc/10/33/90/646103390.db2.gz RAGVDWCUUBZXPU-UHFFFAOYSA-N 1 0 398.276 1.601 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)Cc1cc(Br)ccc1OC ZINC000423003247 646107381 /nfs/dbraw/zinc/10/73/81/646107381.db2.gz LFURFALLEDPBTO-UHFFFAOYSA-N 1 0 386.290 1.484 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000423004915 646108075 /nfs/dbraw/zinc/10/80/75/646108075.db2.gz QGPUQQNMRDTEKF-VXGBXAGGSA-N 1 0 398.301 1.625 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000423020415 646108946 /nfs/dbraw/zinc/10/89/46/646108946.db2.gz BINZPNXPSKCARO-KRWDZBQOSA-N 1 0 384.933 1.243 20 0 GDADRO C[NH+](C)C1CC(NS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000916909343 660203287 /nfs/dbraw/zinc/20/32/87/660203287.db2.gz ZOIGHRMODBINDR-PCMVPAAESA-N 1 0 385.433 1.960 20 0 GDADRO O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)c1ccc(Cl)cc1F ZINC000423100953 646113812 /nfs/dbraw/zinc/11/38/12/646113812.db2.gz NDBNQHSUHBJNRG-GOEBONIOSA-N 1 0 391.896 1.114 20 0 GDADRO O=S(=O)(NCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)c1ccc(Cl)cc1F ZINC000423100955 646113922 /nfs/dbraw/zinc/11/39/22/646113922.db2.gz NDBNQHSUHBJNRG-ZBFHGGJFSA-N 1 0 391.896 1.114 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H](CO)Cc1cccc(Br)c1C ZINC000423152630 646116374 /nfs/dbraw/zinc/11/63/74/646116374.db2.gz FZTOKBSNIAMNAC-KBRIMQKVSA-N 1 0 399.329 1.792 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000423174504 646117904 /nfs/dbraw/zinc/11/79/04/646117904.db2.gz AWLRQQYHJIIDTC-CYBMUJFWSA-N 1 0 388.295 1.654 20 0 GDADRO C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)Oc1ccccc1Br ZINC000423237663 646120681 /nfs/dbraw/zinc/12/06/81/646120681.db2.gz DKSWKHKNUBIOKA-GFCCVEGCSA-N 1 0 396.289 1.977 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000423250809 646122670 /nfs/dbraw/zinc/12/26/70/646122670.db2.gz VMWOYPQKECYZAN-UKRRQHHQSA-N 1 0 396.329 1.893 20 0 GDADRO CCOc1ccc(Br)cc1CN(C(=O)C(=O)N(C)CC[NH3+])C1CC1 ZINC000423270835 646123126 /nfs/dbraw/zinc/12/31/26/646123126.db2.gz XBCABNGDVVSTQV-UHFFFAOYSA-N 1 0 398.301 1.756 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000423361840 646123168 /nfs/dbraw/zinc/12/31/68/646123168.db2.gz SFKAINVXSRQVOA-SECBINFHSA-N 1 0 375.313 1.540 20 0 GDADRO O=C(C(=O)N1CCC(c2ccccc2Br)CC1)N1CC[NH2+]CC1 ZINC000423517355 646126696 /nfs/dbraw/zinc/12/66/96/646126696.db2.gz YAVHVRFCNSHIJE-UHFFFAOYSA-N 1 0 380.286 1.587 20 0 GDADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N2CC[NH2+]CC2)ccc1Br ZINC000423518095 646126736 /nfs/dbraw/zinc/12/67/36/646126736.db2.gz IBULQMFMBVBFNY-HNNXBMFYSA-N 1 0 380.286 1.853 20 0 GDADRO O=C(C(=O)N1CC[NH2+]CC1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000423523057 646127372 /nfs/dbraw/zinc/12/73/72/646127372.db2.gz MXLZSZIJQUZZFN-AWEZNQCLSA-N 1 0 384.249 1.684 20 0 GDADRO C[C@H](NC[C@@H]1C[NH2+]CCN1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423524795 646127434 /nfs/dbraw/zinc/12/74/34/646127434.db2.gz SZEKBEIFIXPPQI-UWVGGRQHSA-N 1 0 381.329 1.195 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423529982 646128117 /nfs/dbraw/zinc/12/81/17/646128117.db2.gz OWRZKUPXUDOCAR-YPMHNXCESA-N 1 0 386.279 1.793 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000423558343 646130110 /nfs/dbraw/zinc/13/01/10/646130110.db2.gz SGWXSTBOGAGZSG-UHFFFAOYSA-N 1 0 388.693 1.665 20 0 GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423577796 646132050 /nfs/dbraw/zinc/13/20/50/646132050.db2.gz IZEMWBNRNMEUNY-KGLIPLIRSA-N 1 0 394.313 1.933 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423593215 646135245 /nfs/dbraw/zinc/13/52/45/646135245.db2.gz LXKSSQOWWJYHMN-HNNXBMFYSA-N 1 0 382.302 1.660 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000423596959 646135265 /nfs/dbraw/zinc/13/52/65/646135265.db2.gz SWBQQCZYQXCUMY-VIFPVBQESA-N 1 0 375.313 1.540 20 0 GDADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000423607268 646136415 /nfs/dbraw/zinc/13/64/15/646136415.db2.gz JDWWTTNVXMTYQN-HNNXBMFYSA-N 1 0 394.313 1.662 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000423678230 646142770 /nfs/dbraw/zinc/14/27/70/646142770.db2.gz SGVRUROIOIKJGW-QWHCGFSZSA-N 1 0 384.933 1.241 20 0 GDADRO CN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@H](C[NH3+])C1CC1 ZINC000423963435 646147553 /nfs/dbraw/zinc/14/75/53/646147553.db2.gz VZEUXTREUJXNPC-CQSZACIVSA-N 1 0 379.258 1.355 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@H]1C[NH3+] ZINC000423999545 646151215 /nfs/dbraw/zinc/15/12/15/646151215.db2.gz NKHVCCYOKPNEKM-VHSXEESVSA-N 1 0 382.258 1.837 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CCCO1 ZINC000424027370 646154443 /nfs/dbraw/zinc/15/44/43/646154443.db2.gz VYPVJIXTWPZIHC-XHDPSFHLSA-N 1 0 386.279 1.923 20 0 GDADRO C[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C[C@@H]1C[NH3+] ZINC000424027678 646154478 /nfs/dbraw/zinc/15/44/78/646154478.db2.gz YKPXWIPICIYMDZ-KBPBESRZSA-N 1 0 385.555 1.980 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C[C@H]1C[NH3+] ZINC000424024621 646154677 /nfs/dbraw/zinc/15/46/77/646154677.db2.gz WHLIOGTZPGVCLG-KFWWJZLASA-N 1 0 385.555 1.735 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000424055135 646156518 /nfs/dbraw/zinc/15/65/18/646156518.db2.gz ICFVPCGVUNMRHS-UHFFFAOYSA-N 1 0 392.319 1.361 20 0 GDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Br)c2)CCO1 ZINC000439227040 646229728 /nfs/dbraw/zinc/22/97/28/646229728.db2.gz SJDGLJJEDXAUJX-SNVBAGLBSA-N 1 0 381.267 1.539 20 0 GDADRO CNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439445024 646232927 /nfs/dbraw/zinc/23/29/27/646232927.db2.gz BSHXPNOXBOQBRZ-RISCZKNCSA-N 1 0 389.265 1.786 20 0 GDADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@@]1(CO)CCOC1 ZINC000439452549 646234580 /nfs/dbraw/zinc/23/45/80/646234580.db2.gz NYIZIEYPKABGSR-DZGCQCFKSA-N 1 0 378.238 1.411 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000442152847 646263428 /nfs/dbraw/zinc/26/34/28/646263428.db2.gz SGAOXJJPCOWNSD-ZYHUDNBSSA-N 1 0 384.274 1.995 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCN2CCOC2=O)C1 ZINC000917399247 660212451 /nfs/dbraw/zinc/21/24/51/660212451.db2.gz CCPSIUUXFDWPDH-GFCCVEGCSA-N 1 0 397.273 1.947 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc1F ZINC000917553832 660215540 /nfs/dbraw/zinc/21/55/40/660215540.db2.gz TTXHWVRFRUSFFB-UHFFFAOYSA-N 1 0 378.441 1.487 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000917654190 660218636 /nfs/dbraw/zinc/21/86/36/660218636.db2.gz CPELQPTYXXGUCI-NWDGAFQWSA-N 1 0 392.930 1.649 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1F ZINC000917712449 660219991 /nfs/dbraw/zinc/21/99/91/660219991.db2.gz WVSCVJAMCJBWJB-LBPRGKRZSA-N 1 0 376.425 1.193 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000917863287 660222941 /nfs/dbraw/zinc/22/29/41/660222941.db2.gz RXWOPLQLXRXOST-UHFFFAOYSA-N 1 0 379.404 1.952 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3c[nH]c4nccc(Cl)c34)C2)CC1 ZINC000917899423 660224102 /nfs/dbraw/zinc/22/41/02/660224102.db2.gz VPWQRMOGFVNYTP-UHFFFAOYSA-N 1 0 383.905 1.084 20 0 GDADRO C[NH+](C)CC1CCN(c2ccc(NS(=O)(=O)N=S(C)(C)=O)cc2)CC1 ZINC000903086633 659294423 /nfs/dbraw/zinc/29/44/23/659294423.db2.gz ALASTTDNCSFFNW-UHFFFAOYSA-N 1 0 388.559 1.849 20 0 GDADRO C[NH+](C)C1CCN(c2ccc(NS(=O)(=O)N=S(C)(C)=O)cc2F)CC1 ZINC000903088011 659294535 /nfs/dbraw/zinc/29/45/35/659294535.db2.gz OPXCIEVESLSFGG-UHFFFAOYSA-N 1 0 392.522 1.740 20 0 GDADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(I)s2)C1 ZINC000907238972 659706131 /nfs/dbraw/zinc/70/61/31/659706131.db2.gz DSYWUHKGWVVVFY-QMMMGPOBSA-N 1 0 386.280 1.583 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)s1 ZINC000918359679 660234416 /nfs/dbraw/zinc/23/44/16/660234416.db2.gz GZQYCCSZWMCGGL-HOTGVXAUSA-N 1 0 388.511 1.506 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3C[C@]4(C)C[NH+](C)C[C@@]4(C)C3)cnc2c1Cl ZINC000918359517 660234440 /nfs/dbraw/zinc/23/44/40/660234440.db2.gz CDXMTSGXJOEPNH-HOTGVXAUSA-N 1 0 383.905 1.653 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)s1 ZINC000918359680 660234443 /nfs/dbraw/zinc/23/44/43/660234443.db2.gz GZQYCCSZWMCGGL-HZPDHXFCSA-N 1 0 388.511 1.506 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000918956887 660243809 /nfs/dbraw/zinc/24/38/09/660243809.db2.gz QYTSDVATYMCKFN-CQSZACIVSA-N 1 0 395.294 1.665 20 0 GDADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000918963332 660244018 /nfs/dbraw/zinc/24/40/18/660244018.db2.gz TXEMCUZEAIOCKB-ZDUSSCGKSA-N 1 0 397.360 1.896 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000918970185 660244237 /nfs/dbraw/zinc/24/42/37/660244237.db2.gz FKTHKXQCDCBWRH-QGZVFWFLSA-N 1 0 381.523 1.887 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)C(=O)c2ccc(Br)cc2)CC1(C)C ZINC000442962535 647166258 /nfs/dbraw/zinc/16/62/58/647166258.db2.gz HGDRQIDWPZSUDI-UHFFFAOYSA-N 1 0 382.302 1.774 20 0 GDADRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)NC)[NH+](C)C ZINC000443219014 647189334 /nfs/dbraw/zinc/18/93/34/647189334.db2.gz GDCBDMCJUWLCSS-CQSZACIVSA-N 1 0 391.559 1.239 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000443303953 647199244 /nfs/dbraw/zinc/19/92/44/647199244.db2.gz FGMXKDCDULUEHA-UHFFFAOYSA-N 1 0 384.420 1.267 20 0 GDADRO O=C(NCCO)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000920209937 660267008 /nfs/dbraw/zinc/26/70/08/660267008.db2.gz IOYSYISUVOPFDJ-CYBMUJFWSA-N 1 0 391.295 1.554 20 0 GDADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920274848 660268817 /nfs/dbraw/zinc/26/88/17/660268817.db2.gz PHWIAJSJVYXUCG-UTJXIGIESA-N 1 0 387.933 1.801 20 0 GDADRO CCCN(CCC)S(=O)(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000920294939 660268970 /nfs/dbraw/zinc/26/89/70/660268970.db2.gz HVPNHQCXHVZGCY-TVFCKZIOSA-N 1 0 375.579 1.813 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cncc(Cl)c3)C2)[C@H]1C(C)C ZINC000920302471 660269546 /nfs/dbraw/zinc/26/95/46/660269546.db2.gz IUTZZMMFDTZROE-QBPKDAKJSA-N 1 0 387.933 1.883 20 0 GDADRO NS(=O)(=O)c1cc(Br)cnc1NCC1CC[NH+](C2CC2)CC1 ZINC000444871838 647258090 /nfs/dbraw/zinc/25/80/90/647258090.db2.gz KXGOWIAOIUDEKL-UHFFFAOYSA-N 1 0 389.319 1.778 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000445553258 647269983 /nfs/dbraw/zinc/26/99/83/647269983.db2.gz MHAHVIPMMFCFQT-KGLIPLIRSA-N 1 0 387.527 1.019 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000445782699 647274403 /nfs/dbraw/zinc/27/44/03/647274403.db2.gz GDFVLKLEDRJVDM-WCQYABFASA-N 1 0 387.889 1.316 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000446051472 647278581 /nfs/dbraw/zinc/27/85/81/647278581.db2.gz JDORIZOGPOKBQZ-LBPRGKRZSA-N 1 0 385.306 1.553 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000453807717 647338535 /nfs/dbraw/zinc/33/85/35/647338535.db2.gz QDNGEPXPMIYTCO-OAHLLOKOSA-N 1 0 398.301 1.659 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000453819075 647339556 /nfs/dbraw/zinc/33/95/56/647339556.db2.gz LYHQWDXFZDRHAJ-SNVBAGLBSA-N 1 0 375.803 1.520 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2ccc(I)cn2)CC1 ZINC000454354102 647353424 /nfs/dbraw/zinc/35/34/24/647353424.db2.gz YPKFENYOMGPNEV-UHFFFAOYSA-N 1 0 388.253 1.054 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1nn(C)cc1I ZINC000454621720 647358342 /nfs/dbraw/zinc/35/83/42/647358342.db2.gz QCAZOSFARJGSDI-SNVBAGLBSA-N 1 0 393.273 1.554 20 0 GDADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1nn(C)cc1Br ZINC000455370480 647378483 /nfs/dbraw/zinc/37/84/83/647378483.db2.gz GJSZPTOYTCDYPH-NSHDSACASA-N 1 0 388.310 1.169 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(I)cn2)C1 ZINC000455550923 647382761 /nfs/dbraw/zinc/38/27/61/647382761.db2.gz IHFSSABELHDTKS-NSHDSACASA-N 1 0 375.210 1.137 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455815051 647388394 /nfs/dbraw/zinc/38/83/94/647388394.db2.gz BMLVDZDDWKAXRU-GFCCVEGCSA-N 1 0 399.293 1.706 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NC/C=C/c2ccc(Br)cc2)CC1=O ZINC000456093145 647394100 /nfs/dbraw/zinc/39/41/00/647394100.db2.gz HYDVCISMWQHAIC-BWPKMQGJSA-N 1 0 394.313 1.989 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CC[C@H](CS(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000921174527 660283376 /nfs/dbraw/zinc/28/33/76/660283376.db2.gz PXYOVRAMUFWDLB-SWLSCSKDSA-N 1 0 388.921 1.263 20 0 GDADRO C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000458501890 647442103 /nfs/dbraw/zinc/44/21/03/647442103.db2.gz JPUSHBBDGVVODR-UKRRQHHQSA-N 1 0 382.496 1.949 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000921025375 660280163 /nfs/dbraw/zinc/28/01/63/660280163.db2.gz PGGLSJWZPXEOHC-UHFFFAOYSA-N 1 0 383.495 1.420 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000459047327 647455241 /nfs/dbraw/zinc/45/52/41/647455241.db2.gz SWEFNRGMJNEZLD-CJNGLKHVSA-N 1 0 386.265 1.941 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000460261502 647468893 /nfs/dbraw/zinc/46/88/93/647468893.db2.gz KONBPMNWKWWNMG-KRWDZBQOSA-N 1 0 382.302 1.847 20 0 GDADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000460912747 647478447 /nfs/dbraw/zinc/47/84/47/647478447.db2.gz NVYKZIIRWBWDMX-UHFFFAOYSA-N 1 0 391.559 1.337 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(CCNC(C)=O)s2)CC1 ZINC000462390740 647525996 /nfs/dbraw/zinc/52/59/96/647525996.db2.gz GPGXAIANHNVOTN-UHFFFAOYSA-N 1 0 387.571 1.827 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462407378 647526877 /nfs/dbraw/zinc/52/68/77/647526877.db2.gz FSFHPNYWLJYRHG-ZDUSSCGKSA-N 1 0 392.262 1.665 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000462832479 647544848 /nfs/dbraw/zinc/54/48/48/647544848.db2.gz IIMGNNWQHZHNMV-GFCCVEGCSA-N 1 0 383.286 1.969 20 0 GDADRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c(C(F)F)n1 ZINC000462902523 647546921 /nfs/dbraw/zinc/54/69/21/647546921.db2.gz NZRFSBXQPIKRDO-UHFFFAOYSA-N 1 0 380.367 1.704 20 0 GDADRO CN(CC[NH+](C)C)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000466321084 647609129 /nfs/dbraw/zinc/60/91/29/647609129.db2.gz SNFYRZKJWVODFC-UHFFFAOYSA-N 1 0 376.910 1.211 20 0 GDADRO O=C(NCc1cnn(CC(F)(F)F)c1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921506062 660306160 /nfs/dbraw/zinc/30/61/60/660306160.db2.gz ICHKRCSGUZSFFI-QWHCGFSZSA-N 1 0 377.436 1.824 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000921573001 660309224 /nfs/dbraw/zinc/30/92/24/660309224.db2.gz HLEWZAMWZMOIKA-UONOGXRCSA-N 1 0 387.468 1.043 20 0 GDADRO Cc1cc(Br)cn2c(CN3CCC[C@H](C(=O)NCC[NH3+])C3)cnc12 ZINC000470007756 647719702 /nfs/dbraw/zinc/71/97/02/647719702.db2.gz CZEGEHMXJFYVPL-ZDUSSCGKSA-N 1 0 394.317 1.692 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000470174402 647721092 /nfs/dbraw/zinc/72/10/92/647721092.db2.gz KRRZCFXDVPCKGR-CABCVRRESA-N 1 0 377.576 1.181 20 0 GDADRO Cn1ccc(-c2nc(C[NH2+]C[C@@]3(N4CCOCC4)CCSC3)cs2)n1 ZINC000921583293 660310915 /nfs/dbraw/zinc/31/09/15/660310915.db2.gz QFALBNCIKKWYEB-KRWDZBQOSA-N 1 0 379.555 1.841 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2nc3cc(Br)ccc3[nH]2)CC1=O ZINC000470529622 647729049 /nfs/dbraw/zinc/72/90/49/647729049.db2.gz ZAHXTJXGDCGXII-SNVBAGLBSA-N 1 0 394.273 1.674 20 0 GDADRO CS(=O)(=O)Nc1cc(C(=O)NCC[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000471636057 647749878 /nfs/dbraw/zinc/74/98/78/647749878.db2.gz QGEPJZANRJUYFL-UHFFFAOYSA-N 1 0 379.404 1.903 20 0 GDADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000476189194 647772584 /nfs/dbraw/zinc/77/25/84/647772584.db2.gz GBUOPEOUJKKZSM-AWEZNQCLSA-N 1 0 387.571 1.834 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)C[NH+](C)C ZINC000921637744 660317966 /nfs/dbraw/zinc/31/79/66/660317966.db2.gz WXHLOUGQUHQCQH-WCQYABFASA-N 1 0 377.532 1.190 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)C1CC1 ZINC000479031190 647823539 /nfs/dbraw/zinc/82/35/39/647823539.db2.gz UIMOHAAHFBLKJI-CQSZACIVSA-N 1 0 398.276 1.934 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC000479326153 647828463 /nfs/dbraw/zinc/82/84/63/647828463.db2.gz UZBWCKHWTWMHMN-AWEZNQCLSA-N 1 0 389.543 1.056 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000479795608 647836379 /nfs/dbraw/zinc/83/63/79/647836379.db2.gz WFXNUCXLJTWFQK-UHFFFAOYSA-N 1 0 382.507 1.630 20 0 GDADRO CO[C@H](CCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C(F)(F)F ZINC000480366769 647844980 /nfs/dbraw/zinc/84/49/80/647844980.db2.gz ZYSJZZRCXJFEQT-GFCCVEGCSA-N 1 0 386.440 1.307 20 0 GDADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480372264 647845353 /nfs/dbraw/zinc/84/53/53/647845353.db2.gz PYDSVMVWBGMLRB-UHFFFAOYSA-N 1 0 397.607 1.042 20 0 GDADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000480713419 647853648 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CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](CCO)c2ccccc2Br)C1 ZINC000514231768 648451059 /nfs/dbraw/zinc/45/10/59/648451059.db2.gz CIQZDIKPTZTIJK-DOMZBBRYSA-N 1 0 391.331 1.744 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000514497529 648452542 /nfs/dbraw/zinc/45/25/42/648452542.db2.gz GHMJTTWPCPZLGA-OAHLLOKOSA-N 1 0 375.535 1.360 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000514781878 648465865 /nfs/dbraw/zinc/46/58/65/648465865.db2.gz XHPKLTPWNBEUPP-GFCCVEGCSA-N 1 0 395.305 1.248 20 0 GDADRO Cc1nc(C(=O)N2CCN(C)C[C@H]2C[NH3+])nn1-c1c(Cl)cccc1Cl ZINC000514936418 648472169 /nfs/dbraw/zinc/47/21/69/648472169.db2.gz REOWRKGJQKISBW-LLVKDONJSA-N 1 0 383.283 1.597 20 0 GDADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000514943307 648472974 /nfs/dbraw/zinc/47/29/74/648472974.db2.gz ALQMHXYBXVRBBI-UHFFFAOYSA-N 1 0 378.292 1.233 20 0 GDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)CNS(=O)(=O)c1cccs1 ZINC000515081323 648480338 /nfs/dbraw/zinc/48/03/38/648480338.db2.gz 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652655996 /nfs/dbraw/zinc/65/59/96/652655996.db2.gz QKYOPLGVQQTYGV-BBRMVZONSA-N 1 0 378.252 1.997 20 0 GDADRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602927651 652657796 /nfs/dbraw/zinc/65/77/96/652657796.db2.gz XSDXDXHDBCDRCV-BXKDBHETSA-N 1 0 378.256 1.509 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(I)cc1)n1cc(CCC[NH3+])nn1 ZINC000603192921 652684942 /nfs/dbraw/zinc/68/49/42/652684942.db2.gz MDXPFPRZUXCWRM-JTQLQIEISA-N 1 0 399.236 1.974 20 0 GDADRO CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000607883052 652807301 /nfs/dbraw/zinc/80/73/01/652807301.db2.gz KHPCJDLJXAQJNX-HNNXBMFYSA-N 1 0 387.933 1.921 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3OC)C2)CC1 ZINC000609319453 652840849 /nfs/dbraw/zinc/84/08/49/652840849.db2.gz CODCOBFXJWLUKX-HNNXBMFYSA-N 1 0 387.933 1.749 20 0 GDADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC(C)(C)S(C)(=O)=O)C1 ZINC000611977666 652924741 /nfs/dbraw/zinc/92/47/41/652924741.db2.gz MQGZKXZKUFNTKS-UHFFFAOYSA-N 1 0 377.503 1.451 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000612545303 652939080 /nfs/dbraw/zinc/93/90/80/652939080.db2.gz JHWLQNJQLDQCPP-ZDUSSCGKSA-N 1 0 385.306 1.347 20 0 GDADRO O=C(CCn1cc(Br)cn1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000614533459 652960437 /nfs/dbraw/zinc/96/04/37/652960437.db2.gz UZYFAXPREBHYQO-UHFFFAOYSA-N 1 0 384.322 1.276 20 0 GDADRO CCC[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)S(N)(=O)=O ZINC000614598157 652960842 /nfs/dbraw/zinc/96/08/42/652960842.db2.gz UOFDLPASYCTXEQ-GDBMZVCRSA-N 1 0 387.571 1.794 20 0 GDADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000615309600 652962645 /nfs/dbraw/zinc/96/26/45/652962645.db2.gz AOLSSSNBPGEPDV-QLFBSQMISA-N 1 0 385.555 1.842 20 0 GDADRO C[C@H](C(=O)N1CC[N@@H+]2CC[C@H]1C2)N1C(=O)c2ccc(Br)cc2C1=O ZINC000615564036 652963718 /nfs/dbraw/zinc/96/37/18/652963718.db2.gz IAVZCAZFRAOSOH-PWSUYJOCSA-N 1 0 392.253 1.350 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000616994636 652971130 /nfs/dbraw/zinc/97/11/30/652971130.db2.gz BMCIJCYGTYMELR-LLVKDONJSA-N 1 0 393.962 1.916 20 0 GDADRO C[NH+]1CCC(CC(=O)NCCNC(=O)c2ccc(Br)cn2)CC1 ZINC000617358661 652973153 /nfs/dbraw/zinc/97/31/53/652973153.db2.gz AWPHXMWCTPXKKE-UHFFFAOYSA-N 1 0 383.290 1.422 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000617415817 652973975 /nfs/dbraw/zinc/97/39/75/652973975.db2.gz QTCLEHWOXYVFPD-GFCCVEGCSA-N 1 0 386.265 1.919 20 0 GDADRO C[C@@H](CCNC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)[NH+](C)C ZINC000617748095 652976100 /nfs/dbraw/zinc/97/61/00/652976100.db2.gz LMNQRNLGDIGDPX-QWRGUYRKSA-N 1 0 396.285 1.890 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000617765446 652976362 /nfs/dbraw/zinc/97/63/62/652976362.db2.gz ASTRLQYUHJFKKI-HNNXBMFYSA-N 1 0 384.318 1.925 20 0 GDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2ccc(Br)cc2)CC1 ZINC000618180957 652980250 /nfs/dbraw/zinc/98/02/50/652980250.db2.gz UXIKFOPCNZEKSZ-QGZVFWFLSA-N 1 0 393.329 1.488 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000619901205 652989871 /nfs/dbraw/zinc/98/98/71/652989871.db2.gz OJIDDWMMSULCCT-LLVKDONJSA-N 1 0 390.303 1.311 20 0 GDADRO C[C@H](CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)n1cc(Br)cn1 ZINC000620474591 652991413 /nfs/dbraw/zinc/99/14/13/652991413.db2.gz HLXCWNDSTYODNU-DOMZBBRYSA-N 1 0 385.306 1.654 20 0 GDADRO CC(C)[C@H]1CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[NH2+]1 ZINC000621151137 652996262 /nfs/dbraw/zinc/99/62/62/652996262.db2.gz UIPFBBOIZYQVQV-CQSZACIVSA-N 1 0 394.269 1.502 20 0 GDADRO O=S1(=O)C[C@@H]([NH2+]CCCCc2cccc(Cl)c2)[C@H](N2CCOCC2)C1 ZINC000621267263 652996933 /nfs/dbraw/zinc/99/69/33/652996933.db2.gz UTUSLDZISYBULY-QZTJIDSGSA-N 1 0 386.945 1.750 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC000621700938 652998969 /nfs/dbraw/zinc/99/89/69/652998969.db2.gz ZTYGYBYCJMLOSX-ZUZCIYMTSA-N 1 0 392.308 1.612 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c(OC)cc1Br ZINC000624414983 653013013 /nfs/dbraw/zinc/01/30/13/653013013.db2.gz NJVJKONQIZPPGN-WCBMZHEXSA-N 1 0 379.276 1.495 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000625419924 653033825 /nfs/dbraw/zinc/03/38/25/653033825.db2.gz LSIICJPWQRLIRB-QGZVFWFLSA-N 1 0 389.949 1.806 20 0 GDADRO COCCCNC(=O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794183 653045159 /nfs/dbraw/zinc/04/51/59/653045159.db2.gz DMAFTTJGIJYALA-KRWDZBQOSA-N 1 0 385.302 1.411 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000626170064 653051291 /nfs/dbraw/zinc/05/12/91/653051291.db2.gz YAYATZVMBMHYDP-ZFWWWQNUSA-N 1 0 376.906 1.341 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C[NH2+]1 ZINC000626890269 653063364 /nfs/dbraw/zinc/06/33/64/653063364.db2.gz NBUSIBJQBSHSFD-VXNVDRBHSA-N 1 0 376.201 1.923 20 0 GDADRO CN(CCOCC[NH3+])C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000626986014 653066202 /nfs/dbraw/zinc/06/62/02/653066202.db2.gz ZOIWBMFQDJFRIS-UHFFFAOYSA-N 1 0 397.277 1.351 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)NCC2([NH3+])CCOCC2)cc1Cl ZINC000627021197 653067115 /nfs/dbraw/zinc/06/71/15/653067115.db2.gz RSAXHVSTTNBFIH-UHFFFAOYSA-N 1 0 375.878 1.051 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)C[NH2+]1 ZINC000627203572 653068771 /nfs/dbraw/zinc/06/87/71/653068771.db2.gz XVAZGDJPCYHGCC-KCPJHIHWSA-N 1 0 395.301 1.772 20 0 GDADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000627245292 653069647 /nfs/dbraw/zinc/06/96/47/653069647.db2.gz FBKZGHMDZMTEQN-COLVAYQJSA-N 1 0 386.290 1.883 20 0 GDADRO CN(C)c1cc(Br)cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000627266607 653070729 /nfs/dbraw/zinc/07/07/29/653070729.db2.gz BZQPYIREZJSBMK-HOCLYGCPSA-N 1 0 382.302 1.796 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627346055 653072917 /nfs/dbraw/zinc/07/29/17/653072917.db2.gz CVGFFCHVTOLPIA-OCCSQVGLSA-N 1 0 382.302 1.939 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(Br)cc1OC ZINC000627352677 653073411 /nfs/dbraw/zinc/07/34/11/653073411.db2.gz FJABRVKCBKZPAD-QWHCGFSZSA-N 1 0 384.274 1.331 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000627371533 653073962 /nfs/dbraw/zinc/07/39/62/653073962.db2.gz IKWHDPCCLGEOGR-CYBMUJFWSA-N 1 0 388.299 1.373 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)Oc1ccccc1Br ZINC000627375496 653074056 /nfs/dbraw/zinc/07/40/56/653074056.db2.gz XFBKBBWMFMOTAR-GMXVVIOVSA-N 1 0 384.274 1.199 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CCc2ccc(Br)cc2)C[NH2+]1 ZINC000627484310 653075597 /nfs/dbraw/zinc/07/55/97/653075597.db2.gz VYKZSQZWNRFRII-IUODEOHRSA-N 1 0 382.302 1.707 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(Br)cc3-n3cnnn3)C[C@H]21 ZINC000627656522 653077204 /nfs/dbraw/zinc/07/72/04/653077204.db2.gz LXXHNDNBJUOIIL-IMRBUKKESA-N 1 0 377.246 1.057 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000627982568 653082872 /nfs/dbraw/zinc/08/28/72/653082872.db2.gz QFVJWWYNBRYJBJ-SNVBAGLBSA-N 1 0 377.775 1.063 20 0 GDADRO CN1CCN(CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000628969367 653129081 /nfs/dbraw/zinc/12/90/81/653129081.db2.gz SPZOKAKFPPDJHX-HNNXBMFYSA-N 1 0 387.311 1.486 20 0 GDADRO O=C(NC[C@H]1CCCN(Cc2ccncc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000629516424 653167917 /nfs/dbraw/zinc/16/79/17/653167917.db2.gz FIPKYCAXVUGZOP-CJNGLKHVSA-N 1 0 381.318 1.924 20 0 GDADRO CN(CCN1CC[NH2+]CC1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000629511272 653168272 /nfs/dbraw/zinc/16/82/72/653168272.db2.gz LYKRLMOHYGRIBI-INIZCTEOSA-N 1 0 381.318 1.539 20 0 GDADRO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000629536145 653170014 /nfs/dbraw/zinc/17/00/14/653170014.db2.gz DVYAMLYJKVTNNR-JFGNBEQYSA-N 1 0 376.320 1.888 20 0 GDADRO O=C1N[C@@H]2CN(Cc3ccncc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000629543169 653170953 /nfs/dbraw/zinc/17/09/53/653170953.db2.gz VDISTRFUSFREMU-HZPDHXFCSA-N 1 0 394.317 1.564 20 0 GDADRO COc1cccc(S(=O)(=O)CCN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629564370 653172333 /nfs/dbraw/zinc/17/23/33/653172333.db2.gz TTXTWRJRBGGTLL-DOMZBBRYSA-N 1 0 380.432 1.928 20 0 GDADRO CN1CCOC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000629600073 653176108 /nfs/dbraw/zinc/17/61/08/653176108.db2.gz RESDCIHXSGSUNY-CHWSQXEVSA-N 1 0 393.709 1.762 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCS1 ZINC000629803167 653183340 /nfs/dbraw/zinc/18/33/40/653183340.db2.gz QZUJXLSGGOXIPV-AVGNSLFASA-N 1 0 381.464 1.572 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000629813438 653183741 /nfs/dbraw/zinc/18/37/41/653183741.db2.gz ZSVHYPSDQRGFMO-CYBMUJFWSA-N 1 0 388.331 1.925 20 0 GDADRO O=C(CSc1nncn1-c1cccc(Cl)c1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629911359 653191838 /nfs/dbraw/zinc/19/18/38/653191838.db2.gz JDFCXMFFMVOYFK-AWEZNQCLSA-N 1 0 381.889 1.196 20 0 GDADRO COc1ccc(Br)cc1C1(C(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000629918062 653193179 /nfs/dbraw/zinc/19/31/79/653193179.db2.gz WEAOPBCYBQLQJW-ZDUSSCGKSA-N 1 0 383.286 1.672 20 0 GDADRO C[N@H+](CC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1)C1CCC1 ZINC000629978453 653194859 /nfs/dbraw/zinc/19/48/59/653194859.db2.gz UHKGTWIDBGVCHY-MRXNPFEDSA-N 1 0 380.286 1.933 20 0 GDADRO C[N@H+](CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br)C1CCC1 ZINC000629975803 653195077 /nfs/dbraw/zinc/19/50/77/653195077.db2.gz AFNULJPBGYTNNN-INIZCTEOSA-N 1 0 380.286 1.933 20 0 GDADRO C[NH2+]C1(CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)CCC1 ZINC000629999112 653195720 /nfs/dbraw/zinc/19/57/20/653195720.db2.gz XMENJOYRNRBCMZ-UHFFFAOYSA-N 1 0 393.285 1.807 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)c1 ZINC000630950148 653227659 /nfs/dbraw/zinc/22/76/59/653227659.db2.gz JGAVUAMVHFXOQH-CYBMUJFWSA-N 1 0 380.491 1.416 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H](O)C(F)(F)F ZINC000631233458 653232216 /nfs/dbraw/zinc/23/22/16/653232216.db2.gz JZHFDAOIIJHOSD-LDWIPMOCSA-N 1 0 391.209 1.498 20 0 GDADRO O=C(c1cc(Br)c2nccn2c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000631640166 653241426 /nfs/dbraw/zinc/24/14/26/653241426.db2.gz UUSINOITWRWLJF-ZDUSSCGKSA-N 1 0 393.285 1.891 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000631757055 653250007 /nfs/dbraw/zinc/25/00/07/653250007.db2.gz XASIDZCVGXCJMG-KOLCDFICSA-N 1 0 380.333 1.952 20 0 GDADRO CN1CCO[C@@H](CS(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000631847175 653259149 /nfs/dbraw/zinc/25/91/49/653259149.db2.gz PICGYPROIOLCKR-HZPDHXFCSA-N 1 0 387.571 1.210 20 0 GDADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC([NH2+]CCO)CC1 ZINC000631862464 653261653 /nfs/dbraw/zinc/26/16/53/653261653.db2.gz PTHPQFWQAMDZQC-MRXNPFEDSA-N 1 0 382.302 1.749 20 0 GDADRO C[C@H](NC(=O)CN1CCC([NH2+]CCO)CC1)c1ccc(Br)cc1 ZINC000631866387 653262150 /nfs/dbraw/zinc/26/21/50/653262150.db2.gz PBYHLYFCIAORRA-ZDUSSCGKSA-N 1 0 384.318 1.673 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000631900699 653265221 /nfs/dbraw/zinc/26/52/21/653265221.db2.gz GQRXTMOXWHXCBS-UHFFFAOYSA-N 1 0 388.291 1.078 20 0 GDADRO C[C@H](c1ccccc1Cl)N1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631911413 653267592 /nfs/dbraw/zinc/26/75/92/653267592.db2.gz FEMXBJCNIQDEFD-CABCVRRESA-N 1 0 387.933 1.337 20 0 GDADRO CCOc1cc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)ccc1OC(F)F ZINC000631914667 653268552 /nfs/dbraw/zinc/26/85/52/653268552.db2.gz ZFMHIQORIPSLGL-GFCCVEGCSA-N 1 0 380.413 1.095 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000631914778 653268807 /nfs/dbraw/zinc/26/88/07/653268807.db2.gz XLSQWHWFTRNUTI-CABCVRRESA-N 1 0 389.315 1.904 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCc1cc(Br)ccc1F ZINC000631916135 653269183 /nfs/dbraw/zinc/26/91/83/653269183.db2.gz SQMWSPHGMYBYBK-GFCCVEGCSA-N 1 0 381.267 1.039 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCc1cc(Br)ccc1F ZINC000631915531 653269267 /nfs/dbraw/zinc/26/92/67/653269267.db2.gz LUWCAPGWNLXISL-UHFFFAOYSA-N 1 0 394.310 1.649 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCc2c1cccc2Br ZINC000631917847 653270325 /nfs/dbraw/zinc/27/03/25/653270325.db2.gz PRWHDGJHTUWNPD-IINYFYTJSA-N 1 0 375.288 1.344 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000631920788 653271204 /nfs/dbraw/zinc/27/12/04/653271204.db2.gz GPBZWNIOBFLQFI-LSDHHAIUSA-N 1 0 376.931 1.748 20 0 GDADRO CC(C)(CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1Br ZINC000631927819 653272859 /nfs/dbraw/zinc/27/28/59/653272859.db2.gz JMWJEEGAVDAOMO-GFCCVEGCSA-N 1 0 391.331 1.635 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000631932454 653274040 /nfs/dbraw/zinc/27/40/40/653274040.db2.gz VCTLGYHCBMDFES-PSASIEDQSA-N 1 0 388.291 1.158 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631940524 653275489 /nfs/dbraw/zinc/27/54/89/653275489.db2.gz YYLRBNNZTCWDOX-NEPJUHHUSA-N 1 0 380.436 1.839 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1cc(Cl)ccc1Br ZINC000631946797 653276728 /nfs/dbraw/zinc/27/67/28/653276728.db2.gz KBSSFLRMAUPLRB-LLVKDONJSA-N 1 0 383.695 1.510 20 0 GDADRO O=S(=O)(c1ccc(Br)cc1Br)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631969827 653281899 /nfs/dbraw/zinc/28/18/99/653281899.db2.gz MHTKZEVRNSZOAZ-IUCAKERBSA-N 1 0 396.104 1.946 20 0 GDADRO O=S(=O)(c1cc(Cl)ccc1OC[C@H]1CCOC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631970874 653281946 /nfs/dbraw/zinc/28/19/46/653281946.db2.gz AJGDJDXVDZIHPR-AEGPPILISA-N 1 0 386.901 1.880 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000631971336 653282128 /nfs/dbraw/zinc/28/21/28/653282128.db2.gz IYQUQUBCHKCBGA-BETUJISGSA-N 1 0 385.555 1.578 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1Br ZINC000631972715 653282691 /nfs/dbraw/zinc/28/26/91/653282691.db2.gz IFOLNYZWUJVUJM-WCBMZHEXSA-N 1 0 376.276 1.518 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@]34CCC[C@@H]3C[NH2+]C4)c(Cl)cc21 ZINC000631980523 653284091 /nfs/dbraw/zinc/28/40/91/653284091.db2.gz ALBYAOWOTCCIPC-DYVFJYSZSA-N 1 0 383.901 1.669 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000632004655 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GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000632953688 653416613 /nfs/dbraw/zinc/41/66/13/653416613.db2.gz TVVBGOYZSNNGGG-YPMHNXCESA-N 1 0 397.321 1.549 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C[C@H]1C[NH3+] ZINC000633024708 653420654 /nfs/dbraw/zinc/42/06/54/653420654.db2.gz QKLAPYQQDSBDMX-VXGBXAGGSA-N 1 0 392.297 1.881 20 0 GDADRO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC2(CC2)c2ccc(Br)cc21 ZINC000633031536 653421972 /nfs/dbraw/zinc/42/19/72/653421972.db2.gz XSXRJSVPCFKXSF-BETUJISGSA-N 1 0 390.281 1.790 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000633039369 653423486 /nfs/dbraw/zinc/42/34/86/653423486.db2.gz SQBQNXLCZXPRJW-RKDXNWHRSA-N 1 0 386.246 1.353 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633102447 653426994 /nfs/dbraw/zinc/42/69/94/653426994.db2.gz TUXRVWIORVOEJI-SNVBAGLBSA-N 1 0 378.420 1.850 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000633106259 653427571 /nfs/dbraw/zinc/42/75/71/653427571.db2.gz SBTZZCFVTJFQKA-UHFFFAOYSA-N 1 0 386.265 1.757 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCc3cc(C)cc(Br)c3C2)C1 ZINC000633112264 653428594 /nfs/dbraw/zinc/42/85/94/653428594.db2.gz DAIMAFFCJZKFNR-ZDUSSCGKSA-N 1 0 380.286 1.463 20 0 GDADRO COc1cc(CNC(=O)c2cnn(CC[NH+](C)C)c2)c(Br)cc1O ZINC000633582464 653456799 /nfs/dbraw/zinc/45/67/99/653456799.db2.gz BBWCBTBVKZEVPE-UHFFFAOYSA-N 1 0 397.273 1.851 20 0 GDADRO CN(CC(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000633775667 653470402 /nfs/dbraw/zinc/47/04/02/653470402.db2.gz TYTUXFLWVCYVDW-CYBMUJFWSA-N 1 0 381.420 1.316 20 0 GDADRO C[NH+]1CCC(n2cc(NC(=O)Cn3cc(Br)ccc3=O)cn2)CC1 ZINC000634090998 653487420 /nfs/dbraw/zinc/48/74/20/653487420.db2.gz MUDLAJRCPFIOBM-UHFFFAOYSA-N 1 0 394.273 1.713 20 0 GDADRO O[C@H](C[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)CC1(O)CCOCC1 ZINC000634727503 653497840 /nfs/dbraw/zinc/49/78/40/653497840.db2.gz XJGJGECKXLGYOL-QMCVQRASSA-N 1 0 382.298 1.969 20 0 GDADRO CN(CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000634753210 653498036 /nfs/dbraw/zinc/49/80/36/653498036.db2.gz AMLYTQQTKBESBO-AWEZNQCLSA-N 1 0 387.933 1.855 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634766956 653498591 /nfs/dbraw/zinc/49/85/91/653498591.db2.gz CMOJFNFOYMUPJE-ABAIWWIYSA-N 1 0 387.299 1.481 20 0 GDADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)C1 ZINC000635324264 653514058 /nfs/dbraw/zinc/51/40/58/653514058.db2.gz GJFNJRGDKQZAQY-RDBSUJKOSA-N 1 0 384.464 1.838 20 0 GDADRO CNS(=O)(=O)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000637672878 653531443 /nfs/dbraw/zinc/53/14/43/653531443.db2.gz JPVMICLJFZNKRM-CQSZACIVSA-N 1 0 376.910 1.181 20 0 GDADRO O=C(CN1CC[NH2+]CC1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000637940991 653532506 /nfs/dbraw/zinc/53/25/06/653532506.db2.gz BTERGTUUNWELMG-UHFFFAOYSA-N 1 0 385.295 1.183 20 0 GDADRO C[N@H+](CCCO)C1CCN(Cc2cnn3cc(Br)cnc23)CC1 ZINC000638084569 653536363 /nfs/dbraw/zinc/53/63/63/653536363.db2.gz SVEHTPNRNSBRBE-UHFFFAOYSA-N 1 0 382.306 1.770 20 0 GDADRO C[C@H]1CN(C(C)(C)C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C[C@H](C)O1 ZINC000638317593 653538073 /nfs/dbraw/zinc/53/80/73/653538073.db2.gz ILYIIVICYLLGJD-GJZGRUSLSA-N 1 0 375.579 1.714 20 0 GDADRO [NH3+]C1(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCOCC1 ZINC000638537968 653539231 /nfs/dbraw/zinc/53/92/31/653539231.db2.gz WMVFLWQKOJYNPU-GFCCVEGCSA-N 1 0 396.285 1.426 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638551155 653539595 /nfs/dbraw/zinc/53/95/95/653539595.db2.gz PHWHAMKSJXXGRI-FZMZJTMJSA-N 1 0 378.416 1.998 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000638589837 653540860 /nfs/dbraw/zinc/54/08/60/653540860.db2.gz ZKXHRAGINYJBIZ-ZDUSSCGKSA-N 1 0 398.301 1.496 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000638587505 653540868 /nfs/dbraw/zinc/54/08/68/653540868.db2.gz OIGAZCHKBGOHJK-SNVBAGLBSA-N 1 0 392.319 1.323 20 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1.712 20 0 GDADRO COCC(COC)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000641353299 653565762 /nfs/dbraw/zinc/56/57/62/653565762.db2.gz SASRZWHZMJOPGC-XJKSGUPXSA-N 1 0 376.544 1.712 20 0 GDADRO CC(C)C[C@H](NS(=O)(=O)CCC(C)(F)F)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000641599514 653572373 /nfs/dbraw/zinc/57/23/73/653572373.db2.gz BKZAMERGZMUXSY-KBPBESRZSA-N 1 0 383.505 1.528 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(Br)o1 ZINC000641663816 653574850 /nfs/dbraw/zinc/57/48/50/653574850.db2.gz DCMRJKLSBQPEEI-ZDUSSCGKSA-N 1 0 386.290 1.569 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cc(Br)co1 ZINC000641672159 653575001 /nfs/dbraw/zinc/57/50/01/653575001.db2.gz PPFRKOYVJMPPTJ-CQSZACIVSA-N 1 0 386.290 1.569 20 0 GDADRO CN(C)S(=O)(=O)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000641953726 653576233 /nfs/dbraw/zinc/57/62/33/653576233.db2.gz STNHCJQZXMVGRB-ZFWWWQNUSA-N 1 0 388.559 1.322 20 0 GDADRO Cc1nc(-c2ccc(CNC(=O)C(=O)NCC3CC[NH2+]CC3)s2)cs1 ZINC000642893661 653579582 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GDADRO C[C@@H](CC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)n1cc(Br)cn1 ZINC000647079588 653620124 /nfs/dbraw/zinc/62/01/24/653620124.db2.gz NPUHSCYWQZJFLK-QWHCGFSZSA-N 1 0 385.306 1.811 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000647086437 653620404 /nfs/dbraw/zinc/62/04/04/653620404.db2.gz LHFCSOJUJGGBNE-JKSUJKDBSA-N 1 0 382.302 1.691 20 0 GDADRO Cc1ccc(-c2nn(C)cc2C[NH2+]CCS(=O)(=O)N2CCSCC2)o1 ZINC000647181595 653622901 /nfs/dbraw/zinc/62/29/01/653622901.db2.gz JHRUPHRJLUBPBB-UHFFFAOYSA-N 1 0 384.527 1.457 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000647234467 653623903 /nfs/dbraw/zinc/62/39/03/653623903.db2.gz RSJDWWARPXVKJD-ISVAXAHUSA-N 1 0 379.841 1.174 20 0 GDADRO O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238521 653624182 /nfs/dbraw/zinc/62/41/82/653624182.db2.gz NWTYZBZFDMGWDK-GDBMZVCRSA-N 1 0 384.523 1.169 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647237835 653624215 /nfs/dbraw/zinc/62/42/15/653624215.db2.gz YKYWXANUAZBMNQ-WMLDXEAASA-N 1 0 386.539 1.633 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cnc2c1Cl ZINC000647238126 653624298 /nfs/dbraw/zinc/62/42/98/653624298.db2.gz FMGRTMLHSPJLJO-OCCSQVGLSA-N 1 0 383.905 1.844 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC(C)([NH3+])CC2)s1 ZINC000647254415 653624400 /nfs/dbraw/zinc/62/44/00/653624400.db2.gz LGSMPJSUCLOKIN-UHFFFAOYSA-N 1 0 387.571 1.955 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647264828 653624599 /nfs/dbraw/zinc/62/45/99/653624599.db2.gz ULVPHMKIKXSUPN-RISCZKNCSA-N 1 0 387.889 1.680 20 0 GDADRO O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647323134 653626158 /nfs/dbraw/zinc/62/61/58/653626158.db2.gz KRAQSEMODLJDIR-GJZGRUSLSA-N 1 0 384.523 1.027 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000647323816 653626161 /nfs/dbraw/zinc/62/61/61/653626161.db2.gz ZNYYHJSYRPNAMR-GFCCVEGCSA-N 1 0 396.738 1.426 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647323497 653626163 /nfs/dbraw/zinc/62/61/63/653626163.db2.gz RERUFRLHECYHAB-HUUCEWRRSA-N 1 0 386.539 1.490 20 0 GDADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NC[C@@H]1C[NH2+]CCCO1 ZINC000647324246 653626173 /nfs/dbraw/zinc/62/61/73/653626173.db2.gz PUGNQAFWAVFPQV-LBPRGKRZSA-N 1 0 397.722 1.900 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000647324926 653626388 /nfs/dbraw/zinc/62/63/88/653626388.db2.gz NPBUHGQPCGVJIU-HUUCEWRRSA-N 1 0 389.905 1.651 20 0 GDADRO O[C@H](C[NH2+]CCCN1CCC(O)CC1)COc1cccc(Br)c1 ZINC000647517873 653628077 /nfs/dbraw/zinc/62/80/77/653628077.db2.gz QDPVMGKQVRUSSO-MRXNPFEDSA-N 1 0 387.318 1.625 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCCN1CCO ZINC000647531669 653628263 /nfs/dbraw/zinc/62/82/63/653628263.db2.gz PNZNURHXPJTTCK-OCCSQVGLSA-N 1 0 377.268 1.306 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000647595676 653629700 /nfs/dbraw/zinc/62/97/00/653629700.db2.gz YLLSSCFTXOGQLY-MXWKQRLJSA-N 1 0 386.290 1.877 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000647603272 653630034 /nfs/dbraw/zinc/63/00/34/653630034.db2.gz LJOWIKKHFZKNGG-ZYHUDNBSSA-N 1 0 379.404 1.322 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NC[C@H]1CCCC[NH2+]1 ZINC000647705880 653633310 /nfs/dbraw/zinc/63/33/10/653633310.db2.gz SFYWZNZJVFPDTF-SNVBAGLBSA-N 1 0 380.297 1.530 20 0 GDADRO COc1ccc(CCC(=O)N(C)CCN2CC[NH2+]CC2)cc1Br ZINC000647775479 653633989 /nfs/dbraw/zinc/63/39/89/653633989.db2.gz PZWJYOQKVJXHER-UHFFFAOYSA-N 1 0 384.318 1.754 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000647778546 653634243 /nfs/dbraw/zinc/63/42/43/653634243.db2.gz LZXMCGFDRXDNIF-UHFFFAOYSA-N 1 0 379.555 1.935 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000647816909 653635090 /nfs/dbraw/zinc/63/50/90/653635090.db2.gz CCTOCZQAQVFURL-SKDRFNHKSA-N 1 0 380.297 1.467 20 0 GDADRO CC1(C)C[NH2+]CCN1C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000647840565 653635924 /nfs/dbraw/zinc/63/59/24/653635924.db2.gz GQSSVHKUEMXLFG-UHFFFAOYSA-N 1 0 389.315 1.574 20 0 GDADRO CC(C)([NH3+])c1noc(CN2CCNC(=O)[C@H]2c2cccc(Br)c2)n1 ZINC000647990019 653637192 /nfs/dbraw/zinc/63/71/92/653637192.db2.gz RHEHTKAUDUBIGM-CYBMUJFWSA-N 1 0 394.273 1.699 20 0 GDADRO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)N[C@@H]1CCC[NH2+]CC1 ZINC000648119914 653639172 /nfs/dbraw/zinc/63/91/72/653639172.db2.gz DPAGCQOAXTURHL-LLVKDONJSA-N 1 0 379.404 1.242 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000648872485 653658783 /nfs/dbraw/zinc/65/87/83/653658783.db2.gz AICXIHADEJZKKJ-UHFFFAOYSA-N 1 0 381.274 1.788 20 0 GDADRO CC1(OCC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C[NH2+]C1 ZINC000649279825 653666478 /nfs/dbraw/zinc/66/64/78/653666478.db2.gz YSMMLURIOLNJAZ-UHFFFAOYSA-N 1 0 388.331 1.533 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000649299432 653666705 /nfs/dbraw/zinc/66/67/05/653666705.db2.gz VAKQDOTXHRZWGA-QFSBIZTOSA-N 1 0 393.285 1.773 20 0 GDADRO CC1([NH3+])CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000649416022 653667204 /nfs/dbraw/zinc/66/72/04/653667204.db2.gz IKPOCULWBCPILB-UHFFFAOYSA-N 1 0 386.327 1.850 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)COc2cccc(Br)c2)CC1=O ZINC000650299774 653690217 /nfs/dbraw/zinc/69/02/17/653690217.db2.gz DKNNCNGUQVDZOB-UHFFFAOYSA-N 1 0 384.274 1.060 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1=O ZINC000650306215 653691099 /nfs/dbraw/zinc/69/10/99/653691099.db2.gz AVAYRAAKENCCGK-UHFFFAOYSA-N 1 0 388.693 1.949 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1=O ZINC000650306540 653691144 /nfs/dbraw/zinc/69/11/44/653691144.db2.gz PWYXZYUTVAHCRM-CQSZACIVSA-N 1 0 396.285 1.158 20 0 GDADRO NC(=O)C1CC[NH+](CCCCNC(=O)c2ncc(Br)s2)CC1 ZINC000650349695 653692208 /nfs/dbraw/zinc/69/22/08/653692208.db2.gz 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CC[NH+]1CCN([C@H](C)CNS(=O)(=O)C[C@H](OC)C2CCCCC2)CC1 ZINC000656964372 654079354 /nfs/dbraw/zinc/07/93/54/654079354.db2.gz DAZITFWWGSTHTF-AEFFLSMTSA-N 1 0 375.579 1.527 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000656966413 654080048 /nfs/dbraw/zinc/08/00/48/654080048.db2.gz SICWGEDBPLLORZ-CYBMUJFWSA-N 1 0 377.913 1.925 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)cc2C1 ZINC000656994408 654090674 /nfs/dbraw/zinc/09/06/74/654090674.db2.gz GQZVJVZXRPPOTK-KRWDZBQOSA-N 1 0 383.539 1.369 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000657033732 654104697 /nfs/dbraw/zinc/10/46/97/654104697.db2.gz LWUCMUAWOAZEFT-AWEZNQCLSA-N 1 0 388.555 1.879 20 0 GDADRO CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC000657090119 654107865 /nfs/dbraw/zinc/10/78/65/654107865.db2.gz FPCTXEZHKGOCBX-AWEZNQCLSA-N 1 0 391.559 1.239 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657346509 654149361 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Cn1ncc2c1CCC[C@H]2[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658092759 654181505 /nfs/dbraw/zinc/18/15/05/654181505.db2.gz QSLLIIZDAVEXRR-CYBMUJFWSA-N 1 0 378.274 1.975 20 0 GDADRO CCS(=O)(=O)C1(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000658303510 654183951 /nfs/dbraw/zinc/18/39/51/654183951.db2.gz WIHLQKSXSBBURW-LLVKDONJSA-N 1 0 377.304 1.556 20 0 GDADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(OC)c1)[C@H]1CC[N@H+](C)C1 ZINC000658359046 654185167 /nfs/dbraw/zinc/18/51/67/654185167.db2.gz DETAWOXLUQDGDV-LBPRGKRZSA-N 1 0 384.274 1.949 20 0 GDADRO CCN(C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000658357185 654185220 /nfs/dbraw/zinc/18/52/20/654185220.db2.gz RVEJTYQVXXKXHC-LLVKDONJSA-N 1 0 387.889 1.235 20 0 GDADRO CCN(C(=O)C(=O)Nc1cnc(OC)c(Br)c1C)[C@H]1CC[N@H+](C)C1 ZINC000658361246 654185590 /nfs/dbraw/zinc/18/55/90/654185590.db2.gz WBVRBGCFLFBFCD-NSHDSACASA-N 1 0 399.289 1.652 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)CCCC1 ZINC000658388965 654189066 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GDADRO O=C(Cn1cc(Br)ccc1=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000658945654 654213841 /nfs/dbraw/zinc/21/38/41/654213841.db2.gz MNQIZVFLZUIPFB-HIFRSBDPSA-N 1 0 382.302 1.992 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659367552 654224048 /nfs/dbraw/zinc/22/40/48/654224048.db2.gz JWXTXSBFEXQSAA-HNNXBMFYSA-N 1 0 392.253 1.910 20 0 GDADRO CS(=O)(=O)C1(C(=O)Nc2nnc(/C=C/c3ccco3)s2)CC[NH2+]CC1 ZINC000659379460 654224718 /nfs/dbraw/zinc/22/47/18/654224718.db2.gz HXVOWKWINOZHNH-SNAWJCMRSA-N 1 0 382.467 1.407 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000659428518 654226556 /nfs/dbraw/zinc/22/65/56/654226556.db2.gz ZKROAAOEOOQALD-ZDUSSCGKSA-N 1 0 386.543 1.317 20 0 GDADRO O=C(CNC(=O)N1CCc2sc(Br)cc2C1)N1CC[NH2+]CC1 ZINC000659509100 654227661 /nfs/dbraw/zinc/22/76/61/654227661.db2.gz VRDWDMVJLGWVAZ-UHFFFAOYSA-N 1 0 387.303 1.010 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@H]1C(F)(F)F ZINC000659516151 654227890 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COc1ncc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1Cl ZINC000660156581 654242378 /nfs/dbraw/zinc/24/23/78/654242378.db2.gz LDSRPJOAAVZEQR-GFCCVEGCSA-N 1 0 377.894 1.475 20 0 GDADRO NS(=O)(=O)c1cc(Cl)cc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660477761 654251359 /nfs/dbraw/zinc/25/13/59/654251359.db2.gz JCCYJQPQWXBMPV-MRXNPFEDSA-N 1 0 387.933 1.674 20 0 GDADRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000660536273 654253712 /nfs/dbraw/zinc/25/37/12/654253712.db2.gz PCSCPRHMHVPQRM-BBRMVZONSA-N 1 0 383.539 1.845 20 0 GDADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661147347 654264317 /nfs/dbraw/zinc/26/43/17/654264317.db2.gz RDPFYDWMYJREQB-ZFWWWQNUSA-N 1 0 381.274 1.802 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H](CO)C1CCC1 ZINC000661155271 654264753 /nfs/dbraw/zinc/26/47/53/654264753.db2.gz UEIKFCYEWHDGIJ-HNNXBMFYSA-N 1 0 389.539 1.395 20 0 GDADRO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661577239 654276327 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GDADRO COc1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000663309963 654332632 /nfs/dbraw/zinc/33/26/32/654332632.db2.gz FICWVPOFTRGLEO-JTQLQIEISA-N 1 0 391.209 1.968 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c(OC)cc1Br ZINC000663313146 654333438 /nfs/dbraw/zinc/33/34/38/654333438.db2.gz SAZJHTQDWDOVKR-ZDUSSCGKSA-N 1 0 379.276 1.497 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(c2nnc3ccc(Br)cn32)CC1 ZINC000663718212 654349625 /nfs/dbraw/zinc/34/96/25/654349625.db2.gz CWQOKKGDDPPKGK-UHFFFAOYSA-N 1 0 381.278 1.092 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C[C@@H]1O ZINC000663786021 654353564 /nfs/dbraw/zinc/35/35/64/654353564.db2.gz BDJOCTNFLVIXJU-IHRRRGAJSA-N 1 0 384.274 1.589 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000664889596 654392986 /nfs/dbraw/zinc/39/29/86/654392986.db2.gz OSNPJXHMCGOLGR-CYBMUJFWSA-N 1 0 390.937 1.566 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)NCCc2ccc(Br)cc2Cl)C[C@@H]1O ZINC000664971602 654395723 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1.862 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC[C@@H]1[NH3+] ZINC000667546038 654455108 /nfs/dbraw/zinc/45/51/08/654455108.db2.gz CUTHCFXYATWUFK-MFKMUULPSA-N 1 0 384.274 1.982 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)Nc2cncc(OCC(F)(F)F)n2)CCSC1 ZINC000667727372 654461367 /nfs/dbraw/zinc/46/13/67/654461367.db2.gz WONAPHDFBTVZFZ-ZDUSSCGKSA-N 1 0 379.408 1.977 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000732253053 654466804 /nfs/dbraw/zinc/46/68/04/654466804.db2.gz CSMVSZAZAWLCNV-WFASDCNBSA-N 1 0 375.300 1.572 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000769517080 654468015 /nfs/dbraw/zinc/46/80/15/654468015.db2.gz YMPXBFJBDJJYTN-CABCVRRESA-N 1 0 388.965 1.978 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C ZINC000769635102 654473926 /nfs/dbraw/zinc/47/39/26/654473926.db2.gz BKSQTKDQIWUNJT-CQSZACIVSA-N 1 0 375.535 1.159 20 0 GDADRO CCN(C(=O)C(=O)NCc1ccc(Br)cc1OC)[C@H]1CC[N@H+](C)C1 ZINC000668750605 654491241 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C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000771467024 654538447 /nfs/dbraw/zinc/53/84/47/654538447.db2.gz OZGMARJQAREENG-NWDGAFQWSA-N 1 0 375.441 1.646 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000672006685 654549085 /nfs/dbraw/zinc/54/90/85/654549085.db2.gz NSJDYXUZBZYAOF-ZDUSSCGKSA-N 1 0 384.274 1.284 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=S)NCC(C)(C)C[NH+](C)C)s1 ZINC000771857655 654550020 /nfs/dbraw/zinc/55/00/20/654550020.db2.gz KXYYMXUHRMBYQA-UHFFFAOYSA-N 1 0 392.616 1.387 20 0 GDADRO CC[NH+](CC)CCOC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000772049963 654554674 /nfs/dbraw/zinc/55/46/74/654554674.db2.gz XGZUJTIWRHGUFE-UHFFFAOYSA-N 1 0 375.516 1.251 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000735590438 654566881 /nfs/dbraw/zinc/56/68/81/654566881.db2.gz FFHWQDOXECXYAV-JTQLQIEISA-N 1 0 398.257 1.369 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000672981151 654570862 /nfs/dbraw/zinc/57/08/62/654570862.db2.gz SMCARZLLWACHBY-UHFFFAOYSA-N 1 0 382.302 1.974 20 0 GDADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000772880075 654573821 /nfs/dbraw/zinc/57/38/21/654573821.db2.gz TZCNCDOPGQHPOF-QWHCGFSZSA-N 1 0 383.457 1.273 20 0 GDADRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773102135 654581502 /nfs/dbraw/zinc/58/15/02/654581502.db2.gz GDAMZNHKMMQJLR-WFASDCNBSA-N 1 0 390.527 1.224 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000773349002 654590752 /nfs/dbraw/zinc/59/07/52/654590752.db2.gz DOIRIBQNFPPPGS-CQSZACIVSA-N 1 0 375.535 1.599 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000774186319 654615280 /nfs/dbraw/zinc/61/52/80/654615280.db2.gz IOKXLBZGDRXNRH-LBPRGKRZSA-N 1 0 383.290 1.938 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)C1CC1 ZINC000774248817 654619282 /nfs/dbraw/zinc/61/92/82/654619282.db2.gz AZUTYKKEHGNJFL-VWLOTQADSA-N 1 0 377.388 1.463 20 0 GDADRO COc1cc(Br)c(C[NH2+]CCCN(C)S(C)(=O)=O)c(OC)c1 ZINC000676199156 654636444 /nfs/dbraw/zinc/63/64/44/654636444.db2.gz WIWWKFKNHUMWDA-UHFFFAOYSA-N 1 0 395.319 1.837 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc(Br)cc2S(N)(=O)=O)C1 ZINC000676497549 654644780 /nfs/dbraw/zinc/64/47/80/654644780.db2.gz CIFWHXFQGSYJEY-NSHDSACASA-N 1 0 391.335 1.660 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(c2ncc(Br)cc2S(N)(=O)=O)C1 ZINC000676497557 654644800 /nfs/dbraw/zinc/64/48/00/654644800.db2.gz COOISSGGKRQKOV-JTQLQIEISA-N 1 0 377.308 1.270 20 0 GDADRO COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)[NH+](C)C)c1 ZINC000774946657 654648509 /nfs/dbraw/zinc/64/85/09/654648509.db2.gz KGUPNAKYMBDXAB-GXTWGEPZSA-N 1 0 388.295 1.724 20 0 GDADRO Nc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)nc1Br ZINC000775075202 654652901 /nfs/dbraw/zinc/65/29/01/654652901.db2.gz GFLXDQWFZYHYCV-UHFFFAOYSA-N 1 0 397.273 1.326 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)o1 ZINC000775145168 654654582 /nfs/dbraw/zinc/65/45/82/654654582.db2.gz CYLNDDXKWBBLQP-GFCCVEGCSA-N 1 0 376.284 1.788 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775168620 654658282 /nfs/dbraw/zinc/65/82/82/654658282.db2.gz FSIUPPCTTCCUOE-NSHDSACASA-N 1 0 378.325 1.948 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)c1ccc(F)cc1 ZINC000775183585 654660050 /nfs/dbraw/zinc/66/00/50/654660050.db2.gz NTYXUZCIOBHZCT-WCQYABFASA-N 1 0 376.259 1.855 20 0 GDADRO c1cnc(N2CCN(CCC[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)nc1 ZINC000775361889 654665801 /nfs/dbraw/zinc/66/58/01/654665801.db2.gz DLXKXGUTRLQIFV-BRWVUGGUSA-N 1 0 379.599 1.958 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000740823596 654673639 /nfs/dbraw/zinc/67/36/39/654673639.db2.gz CGRVTKAHBSLBEQ-CYBMUJFWSA-N 1 0 376.425 1.062 20 0 GDADRO CS[C@@H]1CN(C(=O)Cc2csc(-c3nc[nH]n3)n2)C[C@H]1[NH+]1CCCC1 ZINC000776209994 654684838 /nfs/dbraw/zinc/68/48/38/654684838.db2.gz BALPPNNKCJSQPT-CHWSQXEVSA-N 1 0 378.527 1.509 20 0 GDADRO C[NH+](C)CCCNC(=S)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000741481808 654689335 /nfs/dbraw/zinc/68/93/35/654689335.db2.gz AODJPMSOWGWCAN-ZDUSSCGKSA-N 1 0 385.559 1.358 20 0 GDADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC000678498107 654690174 /nfs/dbraw/zinc/69/01/74/654690174.db2.gz ZXVCSSAYLWHONI-UHFFFAOYSA-N 1 0 385.555 1.695 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)ccc1S(C)(=O)=O ZINC000678583124 654691688 /nfs/dbraw/zinc/69/16/88/654691688.db2.gz PYRKGLLHMWXAIJ-ZDUSSCGKSA-N 1 0 390.527 1.175 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000742242119 654698029 /nfs/dbraw/zinc/69/80/29/654698029.db2.gz SGQQUWKLRIDYDP-GFCCVEGCSA-N 1 0 396.285 1.775 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000742276645 654698999 /nfs/dbraw/zinc/69/89/99/654698999.db2.gz ILULKHVELSCFTK-CABCVRRESA-N 1 0 375.535 1.790 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1ccnc1 ZINC000742718272 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1.653 20 0 GDADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)CC1 ZINC000746401590 654759002 /nfs/dbraw/zinc/75/90/02/654759002.db2.gz AVIXWUCYSOKKLH-UHFFFAOYSA-N 1 0 376.425 1.856 20 0 GDADRO NC(=O)C1([NH2+]CC(=O)Nc2cccc(I)c2)CCCC1 ZINC000746475952 654762473 /nfs/dbraw/zinc/76/24/73/654762473.db2.gz XAFAYSCUUKIWIJ-UHFFFAOYSA-N 1 0 387.221 1.617 20 0 GDADRO CN(CC1CC[NH+](CCN2CCCS2(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000746515126 654763677 /nfs/dbraw/zinc/76/36/77/654763677.db2.gz GHIBDNKJSRCABM-UHFFFAOYSA-N 1 0 375.535 1.601 20 0 GDADRO COc1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)ccc1Br ZINC000746800620 654767765 /nfs/dbraw/zinc/76/77/65/654767765.db2.gz CHPRVNWOHLSTNM-NSHDSACASA-N 1 0 384.274 1.997 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000683341358 654773679 /nfs/dbraw/zinc/77/36/79/654773679.db2.gz KYTPFXBANBMSBX-UHFFFAOYSA-N 1 0 384.304 1.799 20 0 GDADRO CC(C)(CO)[NH+]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000683367166 654773946 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CC(C)(C)OC(=O)NC1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000749058177 654820704 /nfs/dbraw/zinc/82/07/04/654820704.db2.gz GWJCXOIAGULAHY-CQSZACIVSA-N 1 0 375.535 1.647 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000685596253 654822065 /nfs/dbraw/zinc/82/20/65/654822065.db2.gz QVJUUJRAHLBXBC-HNNXBMFYSA-N 1 0 391.896 1.846 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000749368499 654830787 /nfs/dbraw/zinc/83/07/87/654830787.db2.gz UBTOSOYQONIRLP-GFCCVEGCSA-N 1 0 379.262 1.591 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749390742 654832108 /nfs/dbraw/zinc/83/21/08/654832108.db2.gz YHGHCNZBEPNLKQ-LLVKDONJSA-N 1 0 381.278 1.885 20 0 GDADRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]([NH2+]CC(C)(C)NS(C)(=O)=O)C2 ZINC000707931297 654834163 /nfs/dbraw/zinc/83/41/63/654834163.db2.gz CDGPKOIACDVTPB-MJBXVCDLSA-N 1 0 375.535 1.692 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1(C)C ZINC000709782211 654834564 /nfs/dbraw/zinc/83/45/64/654834564.db2.gz ZZCIDQBZGXPENN-BFHYXJOUSA-N 1 0 375.535 1.549 20 0 GDADRO CN(CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)S(C)(=O)=O ZINC000709470995 654834626 /nfs/dbraw/zinc/83/46/26/654834626.db2.gz OMVKZJMSUDKHOQ-ZNMIVQPWSA-N 1 0 375.535 1.646 20 0 GDADRO COC[C@]1(C(=O)Nc2cc(I)ccc2C)C[NH2+]CCO1 ZINC000710791427 654834820 /nfs/dbraw/zinc/83/48/20/654834820.db2.gz FXQULNUTFMDRRV-AWEZNQCLSA-N 1 0 390.221 1.543 20 0 GDADRO CC(C)(C)OC(=O)N1CCN(CCC[NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000716102268 654836711 /nfs/dbraw/zinc/83/67/11/654836711.db2.gz AQPXPRJZEODKOW-UHFFFAOYSA-N 1 0 375.535 1.094 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2ccc(I)cc2)C[C@H]1[NH3+] ZINC000720824796 654838179 /nfs/dbraw/zinc/83/81/79/654838179.db2.gz IBHGFWABECVKAA-LLVKDONJSA-N 1 0 380.251 1.649 20 0 GDADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H]1CCCO1 ZINC000721744131 654839216 /nfs/dbraw/zinc/83/92/16/654839216.db2.gz FYXNJTHJBKVMLV-RRFJBIMHSA-N 1 0 376.519 1.568 20 0 GDADRO CN1CCC([NH2+]CC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 ZINC000721743994 654839231 /nfs/dbraw/zinc/83/92/31/654839231.db2.gz VJBLTWCCNUSPJT-HNNXBMFYSA-N 1 0 375.535 1.094 20 0 GDADRO Cc1sc(Br)cc1S(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000721902423 654840171 /nfs/dbraw/zinc/84/01/71/654840171.db2.gz LYPPNGDKFBRJJK-UHFFFAOYSA-N 1 0 382.349 1.520 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000721903541 654840190 /nfs/dbraw/zinc/84/01/90/654840190.db2.gz JYIPAKVCFZPIEC-HUUCEWRRSA-N 1 0 375.535 1.695 20 0 GDADRO O=S(=O)(C1CCS(=O)(=O)CC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000725822514 654842909 /nfs/dbraw/zinc/84/29/09/654842909.db2.gz FJWVJGQOCKFAQS-UHFFFAOYSA-N 1 0 392.587 1.481 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(NS(C)(=O)=O)CC2)CC1 ZINC000726596864 654855675 /nfs/dbraw/zinc/85/56/75/654855675.db2.gz XMDZWORZKGCRGD-UHFFFAOYSA-N 1 0 375.535 1.647 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=S)NCC(C)(C)C[NH+](C)C)s1 ZINC000727074134 654864523 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O=S1(=O)CC[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000783962795 654874641 /nfs/dbraw/zinc/87/46/41/654874641.db2.gz ZMRHQEPYBZIDMK-VXGBXAGGSA-N 1 0 382.251 1.105 20 0 GDADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc(Br)[nH]c1=O ZINC000828596331 654874693 /nfs/dbraw/zinc/87/46/93/654874693.db2.gz MYJGBZCXFKBQQG-UHFFFAOYSA-N 1 0 384.274 1.734 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000800309105 654881958 /nfs/dbraw/zinc/88/19/58/654881958.db2.gz HNMRQXFMQMCWBL-DZGCQCFKSA-N 1 0 375.535 1.693 20 0 GDADRO COC(=O)CC1([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CCS(=O)(=O)CC1 ZINC000784399452 654885414 /nfs/dbraw/zinc/88/54/14/654885414.db2.gz NPBJJEGBWWBIAM-CQSZACIVSA-N 1 0 393.864 1.613 20 0 GDADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)ccc1S(=O)(=O)C(F)F ZINC000800498191 654886731 /nfs/dbraw/zinc/88/67/31/654886731.db2.gz DTHSWYUMNNYROX-ZJUUUORDSA-N 1 0 382.404 1.816 20 0 GDADRO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000829249682 654895249 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CS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000830025376 654926110 /nfs/dbraw/zinc/92/61/10/654926110.db2.gz VLGLNZICZXWBBM-DLBZAZTESA-N 1 0 382.551 1.719 20 0 GDADRO CS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000830025378 654926173 /nfs/dbraw/zinc/92/61/73/654926173.db2.gz VLGLNZICZXWBBM-IRXDYDNUSA-N 1 0 382.551 1.719 20 0 GDADRO O=C1OCCN1CCC[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000786444435 654940067 /nfs/dbraw/zinc/94/00/67/654940067.db2.gz LJFPAEMNKZWKPF-UHFFFAOYSA-N 1 0 379.408 1.911 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2c[nH]nc2Cl)CC1 ZINC000830318176 654940273 /nfs/dbraw/zinc/94/02/73/654940273.db2.gz UIDLQFKMVLIOOW-STQMWFEESA-N 1 0 375.926 1.242 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000731025781 654941273 /nfs/dbraw/zinc/94/12/73/654941273.db2.gz MUGKDYKFDKDQTE-SNVBAGLBSA-N 1 0 390.303 1.168 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786814166 654950234 /nfs/dbraw/zinc/95/02/34/654950234.db2.gz CQWMKDZOJRVBRO-UONOGXRCSA-N 1 0 396.285 1.045 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1c(I)cnn1C ZINC000831084415 654971358 /nfs/dbraw/zinc/97/13/58/654971358.db2.gz ZBNWYGRCMFDKFH-NSHDSACASA-N 1 0 376.242 1.515 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000754391659 654971723 /nfs/dbraw/zinc/97/17/23/654971723.db2.gz KQMYVMMOBQPJPI-UKRRQHHQSA-N 1 0 375.535 1.551 20 0 GDADRO Cc1nc(Cl)sc1C(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000754572956 654974775 /nfs/dbraw/zinc/97/47/75/654974775.db2.gz PAJQIJRGNJAVLH-GFCCVEGCSA-N 1 0 389.905 1.735 20 0 GDADRO C[NH+](C)CCOCCNC(=O)NOCc1ccc(F)cc1Br ZINC000788020359 654978790 /nfs/dbraw/zinc/97/87/90/654978790.db2.gz YLYBBGICUOJQFE-UHFFFAOYSA-N 1 0 378.242 1.897 20 0 GDADRO CS(=O)(=O)c1nnc(COC(=O)c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000803530047 654979173 /nfs/dbraw/zinc/97/91/73/654979173.db2.gz VHJCBASXIYADPD-UHFFFAOYSA-N 1 0 381.479 1.894 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000788073329 654981988 /nfs/dbraw/zinc/98/19/88/654981988.db2.gz YKGHLFYINYCVPC-GHXNOFRVSA-N 1 0 377.304 1.917 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)c1cccn3c(I)cnc13)C2 ZINC000788203407 654986556 /nfs/dbraw/zinc/98/65/56/654986556.db2.gz PFKLWSFNWODKNM-UHFFFAOYSA-N 1 0 396.232 1.717 20 0 GDADRO COc1cc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cnc1Br ZINC000788251128 654988502 /nfs/dbraw/zinc/98/85/02/654988502.db2.gz VLQXCMQXRQDBFQ-GFCCVEGCSA-N 1 0 385.306 1.609 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Br)n[nH]1 ZINC000788310013 654990043 /nfs/dbraw/zinc/99/00/43/654990043.db2.gz STFJWSGRXLYZLQ-ZDUSSCGKSA-N 1 0 379.258 1.669 20 0 GDADRO CCO[C@@H](CNC(=O)c1cccnc1-n1cc(Br)cn1)C[NH+](C)C ZINC000831713138 654993420 /nfs/dbraw/zinc/99/34/20/654993420.db2.gz IZGCVEJVTGKTLN-ZDUSSCGKSA-N 1 0 396.289 1.726 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000831735652 654995154 /nfs/dbraw/zinc/99/51/54/654995154.db2.gz RUPSLBOYALFFAK-OLZOCXBDSA-N 1 0 385.917 1.710 20 0 GDADRO CCO[C@H](CNC(=O)CSCc1cc(=O)n2ccsc2n1)C[NH+](C)C ZINC000831766396 654996494 /nfs/dbraw/zinc/99/64/94/654996494.db2.gz OXKPQOFZBYGDDD-CYBMUJFWSA-N 1 0 384.527 1.072 20 0 GDADRO CCO[C@@H](CNC(=O)c1cccc(I)c1)C[NH+](C)C ZINC000831775778 654996618 /nfs/dbraw/zinc/99/66/18/654996618.db2.gz BWCSQEHFLIZKFB-ZDUSSCGKSA-N 1 0 376.238 1.988 20 0 GDADRO O=C(NCCSC(F)(F)F)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000788530290 654997014 /nfs/dbraw/zinc/99/70/14/654997014.db2.gz WVZMVCLGKFZVMZ-UHFFFAOYSA-N 1 0 383.436 1.117 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCSC(F)(F)F ZINC000788558228 654998406 /nfs/dbraw/zinc/99/84/06/654998406.db2.gz UCCXHBRLTHZNDQ-NSHDSACASA-N 1 0 383.436 1.067 20 0 GDADRO CCC(CC)[C@H](CNS(=O)(=O)c1cccc(S(=O)(=O)NC)c1)[NH+](C)C ZINC000788920151 655008320 /nfs/dbraw/zinc/00/83/20/655008320.db2.gz OJOFWPVOUBUPBH-INIZCTEOSA-N 1 0 391.559 1.239 20 0 GDADRO CC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000756606281 655024138 /nfs/dbraw/zinc/02/41/38/655024138.db2.gz APFBSEXWWQJOOX-AWEZNQCLSA-N 1 0 375.535 1.599 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@H+](CCCS(N)(=O)=O)C2)C1 ZINC000832257428 655024103 /nfs/dbraw/zinc/02/41/03/655024103.db2.gz IKVDDPZGJDQANB-CABCVRRESA-N 1 0 375.535 1.634 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000789554820 655024517 /nfs/dbraw/zinc/02/45/17/655024517.db2.gz LLSUMPJYTJKLMN-UHFFFAOYSA-N 1 0 399.289 1.782 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000832458102 655031886 /nfs/dbraw/zinc/03/18/86/655031886.db2.gz CHKHHKYEXCDOLN-SNVBAGLBSA-N 1 0 384.221 1.750 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)C[NH+](C)C ZINC000832565042 655037115 /nfs/dbraw/zinc/03/71/15/655037115.db2.gz MZLSYXLPQCNEIO-NSHDSACASA-N 1 0 382.511 1.226 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1Cl ZINC000757495321 655040223 /nfs/dbraw/zinc/04/02/23/655040223.db2.gz LGJGEUFGKZLYEB-HNNXBMFYSA-N 1 0 392.930 1.842 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1(C)C ZINC000832650523 655042955 /nfs/dbraw/zinc/04/29/55/655042955.db2.gz YSNOYEWMRYFGKN-UONOGXRCSA-N 1 0 375.535 1.646 20 0 GDADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CSCCS2)C1 ZINC000805636562 655043263 /nfs/dbraw/zinc/04/32/63/655043263.db2.gz UTSIWHDYXNRTNW-LSDHHAIUSA-N 1 0 387.615 1.968 20 0 GDADRO O=C(NCc1ccc(Br)cc1F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000790280337 655044213 /nfs/dbraw/zinc/04/42/13/655044213.db2.gz VMDIKWMHRFJFHW-CABCVRRESA-N 1 0 398.276 1.947 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000757945033 655047114 /nfs/dbraw/zinc/04/71/14/655047114.db2.gz DJRSXCQCMUMRSK-CYBMUJFWSA-N 1 0 382.555 1.779 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000790674334 655054775 /nfs/dbraw/zinc/05/47/75/655054775.db2.gz ZNLYOGZSLNYSPF-ZDUSSCGKSA-N 1 0 391.331 1.632 20 0 GDADRO Cn1ccnc1[C@](O)(CC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(F)(F)F ZINC000791133013 655064414 /nfs/dbraw/zinc/06/44/14/655064414.db2.gz PRNTUQPTIGSONI-MBNYWOFBSA-N 1 0 383.436 1.506 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc2ncc(I)n2c1 ZINC000834361187 655064427 /nfs/dbraw/zinc/06/44/27/655064427.db2.gz FFGOZXVAIJIEKD-NXEZZACHSA-N 1 0 384.221 1.748 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)C(=O)Nc1ccc(Br)nc1)CCO2 ZINC000834378223 655065287 /nfs/dbraw/zinc/06/52/87/655065287.db2.gz FHAPXCMAWFYLTA-UHFFFAOYSA-N 1 0 397.273 1.106 20 0 GDADRO C[NH+](C)CCCCCCCNC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000806542691 655067833 /nfs/dbraw/zinc/06/78/33/655067833.db2.gz WBNSPDJLAKPPFR-UHFFFAOYSA-N 1 0 376.567 1.469 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000806589486 655068612 /nfs/dbraw/zinc/06/86/12/655068612.db2.gz NHDHLHDZCMLJRO-CJNGLKHVSA-N 1 0 382.555 1.267 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cn3c(Br)cnc3s2)C1 ZINC000834564676 655072842 /nfs/dbraw/zinc/07/28/42/655072842.db2.gz NOVCJUAHCVQLNO-CQSZACIVSA-N 1 0 387.303 1.687 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1nc(Br)cs1 ZINC000834590607 655073545 /nfs/dbraw/zinc/07/35/45/655073545.db2.gz XGHZUBKGNYLTSE-CHWSQXEVSA-N 1 0 389.363 1.963 20 0 GDADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H](C)[C@H](CO)SC)CCN1C(=O)OC(C)(C)C ZINC000834599469 655074075 /nfs/dbraw/zinc/07/40/75/655074075.db2.gz ZHMFLLAOQZOUCT-CRWXNKLISA-N 1 0 376.519 1.630 20 0 GDADRO C[C@H]([NH3+])CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000834681695 655075833 /nfs/dbraw/zinc/07/58/33/655075833.db2.gz HPXQBMHNHPCECZ-VIFPVBQESA-N 1 0 396.296 1.091 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(F)F ZINC000834829573 655080407 /nfs/dbraw/zinc/08/04/07/655080407.db2.gz DNCRBDTZIYAGEM-GFCCVEGCSA-N 1 0 395.859 1.837 20 0 GDADRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)ccc1S(=O)(=O)C(F)F ZINC000834907599 655082289 /nfs/dbraw/zinc/08/22/89/655082289.db2.gz XMHZZBNUTRYKFK-ZMLRMANQSA-N 1 0 376.425 1.996 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000835135423 655087297 /nfs/dbraw/zinc/08/72/97/655087297.db2.gz FYOWYCZFTNCIHL-OLZOCXBDSA-N 1 0 397.273 1.070 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000835170913 655089908 /nfs/dbraw/zinc/08/99/08/655089908.db2.gz GMDKIBWNTYLLIK-WDEREUQCSA-N 1 0 381.274 1.832 20 0 GDADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000759624482 655090879 /nfs/dbraw/zinc/09/08/79/655090879.db2.gz ZJGZCNDVXUSWHJ-JKSUJKDBSA-N 1 0 390.571 1.010 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000808221138 655101122 /nfs/dbraw/zinc/10/11/22/655101122.db2.gz DMMOJDPGTMGPHG-AWEZNQCLSA-N 1 0 376.425 1.011 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)nc1Br ZINC000792979686 655104114 /nfs/dbraw/zinc/10/41/14/655104114.db2.gz HPXWDIBVICDPQX-LBPRGKRZSA-N 1 0 381.274 1.788 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000835878852 655123548 /nfs/dbraw/zinc/12/35/48/655123548.db2.gz CGBKVFWHRRVRDS-VIFPVBQESA-N 1 0 386.246 1.225 20 0 GDADRO COC(=O)c1cn([C@@H]2CC[N@H+](C[C@H](O)c3ccccc3Br)C2)nn1 ZINC000760869092 655128622 /nfs/dbraw/zinc/12/86/22/655128622.db2.gz LXCRTTABBKBQEE-ABAIWWIYSA-N 1 0 395.257 1.808 20 0 GDADRO COC(=O)c1cn([C@@H]2CC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)nn1 ZINC000760889004 655128740 /nfs/dbraw/zinc/12/87/40/655128740.db2.gz UIWTWVMIYWUACB-UKRRQHHQSA-N 1 0 395.257 1.808 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000761030618 655131547 /nfs/dbraw/zinc/13/15/47/655131547.db2.gz YSLDZKVLRASGOC-UHFFFAOYSA-N 1 0 375.535 1.634 20 0 GDADRO O=C(NC[C@@H](O)c1ccccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000836282312 655138010 /nfs/dbraw/zinc/13/80/10/655138010.db2.gz PEUAWVAKAFBHLG-XJKCOSOUSA-N 1 0 398.301 1.645 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000836290903 655138188 /nfs/dbraw/zinc/13/81/88/655138188.db2.gz JZBMFMPWCIRZCS-OAHLLOKOSA-N 1 0 379.332 1.812 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)NC[C@H](O)c1ccccc1Br ZINC000836326264 655140001 /nfs/dbraw/zinc/14/00/01/655140001.db2.gz XRKBCAKLXLTZQE-HNNXBMFYSA-N 1 0 388.306 1.750 20 0 GDADRO C[C@@H](CNC(=O)NCCn1cc(Br)ccc1=O)[NH+]1CCCCC1 ZINC000836345586 655140567 /nfs/dbraw/zinc/14/05/67/655140567.db2.gz NDDRPDDIJGRFOE-ZDUSSCGKSA-N 1 0 385.306 1.784 20 0 GDADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000794811208 655154500 /nfs/dbraw/zinc/15/45/00/655154500.db2.gz VWNCOEWCMJTOIH-CYBMUJFWSA-N 1 0 380.436 1.949 20 0 GDADRO CC(C)NC(=O)CNC(=S)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000795002049 655157689 /nfs/dbraw/zinc/15/76/89/655157689.db2.gz YOPOICHYDFKTJZ-UHFFFAOYSA-N 1 0 380.480 1.780 20 0 GDADRO COc1cc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cnc1Cl ZINC000762323414 655162702 /nfs/dbraw/zinc/16/27/02/655162702.db2.gz YMASJRNKIXKBLK-GFCCVEGCSA-N 1 0 377.894 1.523 20 0 GDADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=S)NC2CC[NH+](C)CC2)s1 ZINC000795170406 655165431 /nfs/dbraw/zinc/16/54/31/655165431.db2.gz WUQVAPICHHIRJF-MNOVXSKESA-N 1 0 384.575 1.622 20 0 GDADRO Cn1nnc(Br)c1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000810612297 655167563 /nfs/dbraw/zinc/16/75/63/655167563.db2.gz QGRQFNHBZNEDGP-NEPJUHHUSA-N 1 0 386.294 1.075 20 0 GDADRO Cn1ncc(C(=O)NCC[N@@H+]2CCCC2(C)C)c1I ZINC000837174804 655169734 /nfs/dbraw/zinc/16/97/34/655169734.db2.gz KCUASPGLFCSESQ-UHFFFAOYSA-N 1 0 376.242 1.629 20 0 GDADRO CCS(=O)(=O)N1CCC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810676940 655169814 /nfs/dbraw/zinc/16/98/14/655169814.db2.gz ZVRIBYWCVUANNW-KRWDZBQOSA-N 1 0 377.526 1.377 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762651691 655172617 /nfs/dbraw/zinc/17/26/17/655172617.db2.gz VQIMEIPAVRCCKB-DVOMOZLQSA-N 1 0 390.527 1.488 20 0 GDADRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000795800146 655188069 /nfs/dbraw/zinc/18/80/69/655188069.db2.gz HPCGZXYKQHYNAZ-ZDUSSCGKSA-N 1 0 380.432 1.888 20 0 GDADRO Cn1nnc(Br)c1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000811532900 655199652 /nfs/dbraw/zinc/19/96/52/655199652.db2.gz LQCZXMGOZHTOLF-UHFFFAOYSA-N 1 0 397.277 1.233 20 0 GDADRO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000796061783 655201187 /nfs/dbraw/zinc/20/11/87/655201187.db2.gz NLRHDUHRCDONOP-QGZVFWFLSA-N 1 0 375.535 1.601 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000811712276 655203144 /nfs/dbraw/zinc/20/31/44/655203144.db2.gz NUDHFMCYLAERQY-GFCCVEGCSA-N 1 0 382.496 1.839 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000796114599 655203666 /nfs/dbraw/zinc/20/36/66/655203666.db2.gz MLUSUTBRYJMTLO-VXGBXAGGSA-N 1 0 387.889 1.769 20 0 GDADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H](O)C[NH+]1CCCC1 ZINC000796594230 655214852 /nfs/dbraw/zinc/21/48/52/655214852.db2.gz RIYNHRUIVJOAAL-QGZVFWFLSA-N 1 0 394.317 1.918 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000812719483 655220283 /nfs/dbraw/zinc/22/02/83/655220283.db2.gz TWGXCKZFHUFTMQ-HUUCEWRRSA-N 1 0 377.551 1.941 20 0 GDADRO COc1c(C)cc([C@@H](C)[NH2+]CCS(=O)(=O)N2CCOCC2)cc1Cl ZINC000796813660 655221437 /nfs/dbraw/zinc/22/14/37/655221437.db2.gz YOBMYCDTEHZJJV-CYBMUJFWSA-N 1 0 376.906 1.970 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nn2cc(Br)cn2)CC1=O ZINC000765086001 655228902 /nfs/dbraw/zinc/22/89/02/655228902.db2.gz RHAXBVAVFQJWEQ-DGCLKSJQSA-N 1 0 384.278 1.049 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000797115366 655230691 /nfs/dbraw/zinc/23/06/91/655230691.db2.gz CWZSLQWEBSKFRR-RBSFLKMASA-N 1 0 375.535 1.836 20 0 GDADRO C[C@@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000839087945 655238950 /nfs/dbraw/zinc/23/89/50/655238950.db2.gz GJSPXEHYKHGOOX-HUUCEWRRSA-N 1 0 377.551 1.751 20 0 GDADRO NC(=O)[C@H]1CSCCN1C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000765520841 655242692 /nfs/dbraw/zinc/24/26/92/655242692.db2.gz DBQYZHLMNUBTDT-MRXNPFEDSA-N 1 0 378.567 1.428 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839507467 655250208 /nfs/dbraw/zinc/25/02/08/655250208.db2.gz JBKVQDUZSFQROF-CYBMUJFWSA-N 1 0 380.392 1.061 20 0 GDADRO CCCCC[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000839543955 655252338 /nfs/dbraw/zinc/25/23/38/655252338.db2.gz FORYUICLTOXXPH-KBPBESRZSA-N 1 0 375.535 1.584 20 0 GDADRO C[C@@H](CNC(=O)c1c(I)cnn1C)[NH+]1CCCCC1 ZINC000814107577 655257136 /nfs/dbraw/zinc/25/71/36/655257136.db2.gz MPYSAVCVDFTAIR-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(Br)nc2)CCSC1 ZINC000766498796 655268201 /nfs/dbraw/zinc/26/82/01/655268201.db2.gz KDEYAOGMZXVBTI-CQSZACIVSA-N 1 0 387.303 1.336 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(CN3C(=S)N=NC3Cc3cccs3)[C@H]2C1 ZINC000840084667 655275629 /nfs/dbraw/zinc/27/56/29/655275629.db2.gz WJELHBDAVVTBQT-LSDHHAIUSA-N 1 0 379.555 1.972 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1Cl ZINC000767315762 655289466 /nfs/dbraw/zinc/28/94/66/655289466.db2.gz RZCSDHRSXOBWFA-KGLIPLIRSA-N 1 0 392.930 1.793 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000841013714 655307743 /nfs/dbraw/zinc/30/77/43/655307743.db2.gz SHBFCTIHLLTENS-BXKDBHETSA-N 1 0 377.413 1.917 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000841095921 655308552 /nfs/dbraw/zinc/30/85/52/655308552.db2.gz MDTKORWUEDDQEY-VIFPVBQESA-N 1 0 381.376 1.814 20 0 GDADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)NCC1=CC[NH2+]CC1 ZINC000841133714 655309787 /nfs/dbraw/zinc/30/97/87/655309787.db2.gz QARWRUFXWOGEOE-UHFFFAOYSA-N 1 0 387.889 1.805 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cnc(Cl)c1Br ZINC000841158576 655311184 /nfs/dbraw/zinc/31/11/84/655311184.db2.gz SSHYYXVYNNRJRV-SECBINFHSA-N 1 0 389.681 1.942 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cnc(Cl)c1Br ZINC000841182954 655312567 /nfs/dbraw/zinc/31/25/67/655312567.db2.gz QITHVHKABLBDSM-QMMMGPOBSA-N 1 0 377.670 1.844 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1)C1CC1 ZINC000841184396 655312759 /nfs/dbraw/zinc/31/27/59/655312759.db2.gz WYKHSNHTUIBYNI-QMMMGPOBSA-N 1 0 395.179 1.655 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc3ccccc3nc2Br)CCC1 ZINC000841209166 655314220 /nfs/dbraw/zinc/31/42/20/655314220.db2.gz HRZVGGWJCPYQET-UHFFFAOYSA-N 1 0 377.242 1.933 20 0 GDADRO CN(C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1)C1C[NH2+]C1 ZINC000841241865 655316669 /nfs/dbraw/zinc/31/66/69/655316669.db2.gz ARGGKBYHGFKJAB-UHFFFAOYSA-N 1 0 381.152 1.232 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000841245487 655317129 /nfs/dbraw/zinc/31/71/29/655317129.db2.gz LBAHVKJTMNIQAM-HAQNSBGRSA-N 1 0 383.290 1.972 20 0 GDADRO Cc1cnc(Br)c(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000841247035 655317320 /nfs/dbraw/zinc/31/73/20/655317320.db2.gz NBMDXVDVHKIWLB-LLVKDONJSA-N 1 0 384.278 1.471 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)N1CCC(Oc2cncc(Cl)n2)CC1)C(F)(F)F ZINC000841333795 655319118 /nfs/dbraw/zinc/31/91/18/655319118.db2.gz RQDWEDHOHHMATB-SNVBAGLBSA-N 1 0 381.786 1.963 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccnc(Br)c2N)CC1 ZINC000768589794 655322740 /nfs/dbraw/zinc/32/27/40/655322740.db2.gz YHVBXUWONMXOLH-UHFFFAOYSA-N 1 0 399.289 1.572 20 0 GDADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000816557090 655329030 /nfs/dbraw/zinc/32/90/30/655329030.db2.gz DOJVXYQPQSPQNO-VXGBXAGGSA-N 1 0 392.465 1.246 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cccc3scnc32)CC1 ZINC000841499420 655330870 /nfs/dbraw/zinc/33/08/70/655330870.db2.gz XDQSYCKJGALWJX-CQSZACIVSA-N 1 0 382.555 1.848 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cnn(C)c1I ZINC000816779395 655336048 /nfs/dbraw/zinc/33/60/48/655336048.db2.gz DYTHQRKPXQALDD-JTQLQIEISA-N 1 0 378.258 1.875 20 0 GDADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000841546558 655343172 /nfs/dbraw/zinc/34/31/72/655343172.db2.gz UCEKOZNGKRVLOO-GFCCVEGCSA-N 1 0 394.946 1.754 20 0 GDADRO CCS(=O)(=O)NCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C ZINC000817294781 655349502 /nfs/dbraw/zinc/34/95/02/655349502.db2.gz YICMITLGBSQCEJ-KFWWJZLASA-N 1 0 377.551 1.797 20 0 GDADRO C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000841920652 655354874 /nfs/dbraw/zinc/35/48/74/655354874.db2.gz PRQQVPWGUBKCET-ZUZCIYMTSA-N 1 0 389.283 1.146 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)C[C@H]1C[NH3+] ZINC000842022252 655355498 /nfs/dbraw/zinc/35/54/98/655355498.db2.gz WTYIVXYDACTCTK-GXTWGEPZSA-N 1 0 384.933 1.528 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000842182562 655357861 /nfs/dbraw/zinc/35/78/61/655357861.db2.gz GVKCDHMLGYVGAC-OWCLPIDISA-N 1 0 383.583 1.473 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842208312 655358676 /nfs/dbraw/zinc/35/86/76/655358676.db2.gz UKRVIRGTMXEDFZ-UHFFFAOYSA-N 1 0 382.770 1.435 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000842216880 655359344 /nfs/dbraw/zinc/35/93/44/655359344.db2.gz PXCZBRNLTADRGN-CYBMUJFWSA-N 1 0 388.281 1.737 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817917506 655362466 /nfs/dbraw/zinc/36/24/66/655362466.db2.gz QCGRHSXSFMPHOY-HNNXBMFYSA-N 1 0 386.315 1.824 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817933432 655362668 /nfs/dbraw/zinc/36/26/68/655362668.db2.gz DTGKMALSNLKMDH-HNNXBMFYSA-N 1 0 386.315 1.824 20 0 GDADRO [NH3+]CC[C@H](NC(=O)CCNS(=O)(=O)/C=C\c1ccccc1)C(F)(F)F ZINC000817994828 655364002 /nfs/dbraw/zinc/36/40/02/655364002.db2.gz LKHGQGMQGXYWLO-ZWXCPPHNSA-N 1 0 379.404 1.363 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000818009091 655364437 /nfs/dbraw/zinc/36/44/37/655364437.db2.gz NFKWRNIQUJZFHE-JQWIXIFHSA-N 1 0 389.315 1.910 20 0 GDADRO CN(CC[NH3+])C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC000818010072 655364494 /nfs/dbraw/zinc/36/44/94/655364494.db2.gz BIOGSWLPTFSWPM-UHFFFAOYSA-N 1 0 392.319 1.557 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C[C@H]1C[NH3+] ZINC000818009559 655364511 /nfs/dbraw/zinc/36/45/11/655364511.db2.gz VPIRDYDYNGXXLT-WDEREUQCSA-N 1 0 389.315 1.910 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000842482301 655367436 /nfs/dbraw/zinc/36/74/36/655367436.db2.gz SKULWMULHOQFNN-NXEZZACHSA-N 1 0 386.417 1.386 20 0 GDADRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(F)F ZINC000842483312 655367504 /nfs/dbraw/zinc/36/75/04/655367504.db2.gz IQTOOEOFNLICLJ-SECBINFHSA-N 1 0 396.359 1.241 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2Br)CCCO1 ZINC000842484311 655367839 /nfs/dbraw/zinc/36/78/39/655367839.db2.gz ASRHJKYWZMVJTM-YSKGHYERSA-N 1 0 375.288 1.799 20 0 GDADRO O=C(c1ccc2ncc(I)n2c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512662 655368520 /nfs/dbraw/zinc/36/85/20/655368520.db2.gz LLGOXNJFLJICMN-OAHLLOKOSA-N 1 0 396.232 1.907 20 0 GDADRO C[NH2+]C[C@@H](C)c1noc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000842577413 655369066 /nfs/dbraw/zinc/36/90/66/655369066.db2.gz OOBPBVUVQSUEPP-SECBINFHSA-N 1 0 378.376 1.890 20 0 GDADRO [NH3+][C@H]1CCCN(S(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)C1 ZINC000842678175 655370841 /nfs/dbraw/zinc/37/08/41/655370841.db2.gz YURJWNRIEAWYET-VIFPVBQESA-N 1 0 393.694 1.862 20 0 GDADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)C1 ZINC000842683298 655371128 /nfs/dbraw/zinc/37/11/28/655371128.db2.gz JOLJEGBQALKRNX-VIFPVBQESA-N 1 0 377.260 1.218 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000842699868 655371943 /nfs/dbraw/zinc/37/19/43/655371943.db2.gz REZFNPHMZNKCMZ-QWRGUYRKSA-N 1 0 379.404 1.854 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)c(F)cc1Br ZINC000842701059 655371973 /nfs/dbraw/zinc/37/19/73/655371973.db2.gz IOFZFLWKSHOLLT-MRVPVSSYSA-N 1 0 395.250 1.344 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000842699814 655371977 /nfs/dbraw/zinc/37/19/77/655371977.db2.gz DTVZWWTZGHOJRE-NSHDSACASA-N 1 0 395.934 1.092 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)s1 ZINC000842701694 655372095 /nfs/dbraw/zinc/37/20/95/655372095.db2.gz UANGETRSCSCFKG-UHFFFAOYSA-N 1 0 381.523 1.406 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)s1 ZINC000842766713 655375918 /nfs/dbraw/zinc/37/59/18/655375918.db2.gz SWYAAJCGMQNIPY-SFYZADRCSA-N 1 0 397.316 1.668 20 0 GDADRO CCN(OC)C(=O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000842770113 655376081 /nfs/dbraw/zinc/37/60/81/655376081.db2.gz ZWUNDFRZEMHCSX-UHFFFAOYSA-N 1 0 386.290 1.785 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N[C@@H](C)CC[NH3+])c1 ZINC000842791143 655377268 /nfs/dbraw/zinc/37/72/68/655377268.db2.gz SUGPBGSKWFRDTJ-JTQLQIEISA-N 1 0 393.303 1.950 20 0 GDADRO O=S(=O)(NCC1=CC[NH2+]CC1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842828113 655380035 /nfs/dbraw/zinc/38/00/35/655380035.db2.gz FFOLKPDHFCPWMX-UHFFFAOYSA-N 1 0 384.401 1.178 20 0 GDADRO O=S(=O)(c1ccc2nc(Cl)sc2c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000842858952 655381282 /nfs/dbraw/zinc/38/12/82/655381282.db2.gz ZYAQPRKIIASHEH-LLVKDONJSA-N 1 0 386.930 1.618 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1Br ZINC000842869479 655381661 /nfs/dbraw/zinc/38/16/61/655381661.db2.gz LEOXIKBATLGZFG-CYBMUJFWSA-N 1 0 391.287 1.594 20 0 GDADRO O=S(=O)(c1ccc(C[NH2+]C[C@@H](O)c2ccccc2)s1)N1CCOCC1 ZINC000818945773 655381968 /nfs/dbraw/zinc/38/19/68/655381968.db2.gz NZDWCWOLDVVRRO-MRXNPFEDSA-N 1 0 382.507 1.592 20 0 GDADRO O=c1n(CCC[NH2+]C[C@H](O)c2ccccc2Br)nc2n1CCCC2 ZINC000818964357 655382429 /nfs/dbraw/zinc/38/24/29/655382429.db2.gz SFCVKURRJMBLLL-HNNXBMFYSA-N 1 0 395.301 1.857 20 0 GDADRO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000818974011 655382553 /nfs/dbraw/zinc/38/25/53/655382553.db2.gz BDODZZSPGFWVJY-OWCLPIDISA-N 1 0 376.563 1.699 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000818972264 655382575 /nfs/dbraw/zinc/38/25/75/655382575.db2.gz IBQACQXORRNEAJ-WFASDCNBSA-N 1 0 380.432 1.597 20 0 GDADRO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000818974009 655382582 /nfs/dbraw/zinc/38/25/82/655382582.db2.gz BDODZZSPGFWVJY-BZUAXINKSA-N 1 0 376.563 1.699 20 0 GDADRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000842888279 655382800 /nfs/dbraw/zinc/38/28/00/655382800.db2.gz RCZWUUQFFLMFJL-NSHDSACASA-N 1 0 397.950 1.386 20 0 GDADRO O=C1OCCN1CCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000819012841 655383223 /nfs/dbraw/zinc/38/32/23/655383223.db2.gz QIIMYVCCVGGBPI-ZDUSSCGKSA-N 1 0 391.237 1.760 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCCCCC[NH3+])cc1F ZINC000842918169 655384012 /nfs/dbraw/zinc/38/40/12/655384012.db2.gz CFDVSGZUFFMWKQ-UHFFFAOYSA-N 1 0 381.495 1.385 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)NC[C@H]1CCCCO1 ZINC000819052894 655384109 /nfs/dbraw/zinc/38/41/09/655384109.db2.gz GMIRNTYEHDPWMX-CZUORRHYSA-N 1 0 394.896 1.591 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C ZINC000819058932 655384404 /nfs/dbraw/zinc/38/44/04/655384404.db2.gz DDBYUZMIJJAHMS-UONOGXRCSA-N 1 0 376.519 1.122 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C ZINC000819058933 655384430 /nfs/dbraw/zinc/38/44/30/655384430.db2.gz DDBYUZMIJJAHMS-ZIAGYGMSSA-N 1 0 376.519 1.122 20 0 GDADRO C[C@](O)(C[NH2+]CCOCCS(C)(=O)=O)c1ccc(Br)cc1F ZINC000819104320 655385832 /nfs/dbraw/zinc/38/58/32/655385832.db2.gz KGFXQJFFRQQOTR-AWEZNQCLSA-N 1 0 398.294 1.447 20 0 GDADRO CN(CC[NH2+]C[C@@H](O)c1c(F)cccc1F)S(=O)(=O)c1cccs1 ZINC000819179391 655387560 /nfs/dbraw/zinc/38/75/60/655387560.db2.gz AGUHQXBNGKBUTO-CYBMUJFWSA-N 1 0 376.450 1.970 20 0 GDADRO CCOC(=O)C[C@@H](CO)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000843077313 655388033 /nfs/dbraw/zinc/38/80/33/655388033.db2.gz RLXAUZGKTWOEQX-NHYWBVRUSA-N 1 0 378.238 1.699 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)c1ccc[nH]1 ZINC000819193228 655388038 /nfs/dbraw/zinc/38/80/38/655388038.db2.gz FIRAIESGMNFADU-ZDUSSCGKSA-N 1 0 385.511 1.390 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000819199474 655388049 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655509021 /nfs/dbraw/zinc/50/90/21/655509021.db2.gz BQGHKRZKQOHTQB-SMDDNHRTSA-N 1 0 391.273 1.591 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)c3[nH]nc(C4CC4)c3Br)CC2)CC1 ZINC000827462773 655511758 /nfs/dbraw/zinc/51/17/58/655511758.db2.gz SQRFHILFSLVWGA-UHFFFAOYSA-N 1 0 396.333 1.902 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CC[C@@H](C)C2)c(C)c[nH+]1 ZINC000848965280 655512337 /nfs/dbraw/zinc/51/23/37/655512337.db2.gz IUDVRNBNNHKZBX-DOMZBBRYSA-N 1 0 389.543 1.360 20 0 GDADRO C[C@@H](CNC(=O)[C@@]1(C)CC1(Br)Br)N1CC[NH+](C)CC1 ZINC000827580723 655513433 /nfs/dbraw/zinc/51/34/33/655513433.db2.gz VSGRGAUGGKRAJJ-CMPLNLGQSA-N 1 0 397.155 1.635 20 0 GDADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Br)cn4ncnc34)C[C@]2(C)C1 ZINC000827598301 655513610 /nfs/dbraw/zinc/51/36/10/655513610.db2.gz OXHWIXJWLBHLMK-HOTGVXAUSA-N 1 0 378.274 1.906 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cc(Cl)n(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000827740233 655515784 /nfs/dbraw/zinc/51/57/84/655515784.db2.gz WUTMWOOMIOWSQU-LBPRGKRZSA-N 1 0 376.910 1.045 20 0 GDADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)NCC[N@H+]1CC[C@H](O)C1 ZINC000827749805 655516016 /nfs/dbraw/zinc/51/60/16/655516016.db2.gz QMLWTHHZXFLNRW-JQWIXIFHSA-N 1 0 382.258 1.058 20 0 GDADRO COc1ccc(OC)c(NC(=[NH2+])NCCNS(=O)(=O)c2cccs2)c1 ZINC000849109224 655517378 /nfs/dbraw/zinc/51/73/78/655517378.db2.gz BTIPNKPMSSLSLW-UHFFFAOYSA-N 1 0 384.483 1.680 20 0 GDADRO C[C@@]1(CN2CCC(n3nncc3I)CC2)CC[NH2+]C1 ZINC000849352287 655522534 /nfs/dbraw/zinc/52/25/34/655522534.db2.gz KDRBBCOJFLTZRD-CYBMUJFWSA-N 1 0 375.258 1.519 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NCC[C@H](C)[NH+](C)C)s1 ZINC000849428924 655533664 /nfs/dbraw/zinc/53/36/64/655533664.db2.gz GRXKFBOCDHHBQQ-QMMMGPOBSA-N 1 0 399.332 1.916 20 0 GDADRO Cn1ncc(C(F)(F)F)c1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000850135955 655550483 /nfs/dbraw/zinc/55/04/83/655550483.db2.gz XSIUUUBVGXKEKU-UHFFFAOYSA-N 1 0 390.378 1.793 20 0 GDADRO Cc1c(C[NH2+]CC[S@@](=O)CC(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000850350220 655552629 /nfs/dbraw/zinc/55/26/29/655552629.db2.gz PMFJCYFBUDLVNU-RUZDIDTESA-N 1 0 375.416 1.885 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)n1 ZINC000850376308 655553705 /nfs/dbraw/zinc/55/37/05/655553705.db2.gz GHVAYTUFUVJEJL-VIFPVBQESA-N 1 0 382.877 1.203 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cnc1Cl ZINC000850589325 655559358 /nfs/dbraw/zinc/55/93/58/655559358.db2.gz SGAKKMOWHOLWBB-TZMCWYRMSA-N 1 0 389.905 1.651 20 0 GDADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000850628668 655561693 /nfs/dbraw/zinc/56/16/93/655561693.db2.gz QELPVNJZZAWTAO-UHFFFAOYSA-N 1 0 389.681 1.764 20 0 GDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC1SCCS1 ZINC000850650590 655562746 /nfs/dbraw/zinc/56/27/46/655562746.db2.gz PYSHCAGATOCSDU-CYBMUJFWSA-N 1 0 387.571 1.011 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850823668 655568902 /nfs/dbraw/zinc/56/89/02/655568902.db2.gz LYSYZHSKMFVLSU-IUCAKERBSA-N 1 0 382.877 1.250 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850828485 655569264 /nfs/dbraw/zinc/56/92/64/655569264.db2.gz YQVOCGJICVFMGL-VIFPVBQESA-N 1 0 384.893 1.769 20 0 GDADRO [NH3+]CCc1ccc(CNC(=O)N2CCn3ncc(Br)c3C2)cc1 ZINC000851661507 655590026 /nfs/dbraw/zinc/59/00/26/655590026.db2.gz LNGNVOYZEJWEDO-UHFFFAOYSA-N 1 0 378.274 1.872 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000851672742 655590339 /nfs/dbraw/zinc/59/03/39/655590339.db2.gz SZJJWIMVJMSDEQ-ZDUSSCGKSA-N 1 0 385.452 1.385 20 0 GDADRO O=C(NC[C@H]1CCCN(C(=O)NCCC2SCCS2)C1)[C@@H]1CCC[NH2+]1 ZINC000851680001 655590355 /nfs/dbraw/zinc/59/03/55/655590355.db2.gz FWXSDAOCMFGOSD-KGLIPLIRSA-N 1 0 386.587 1.472 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000851717473 655592496 /nfs/dbraw/zinc/59/24/96/655592496.db2.gz SYDQRZLTZCOJDP-GFCCVEGCSA-N 1 0 390.339 1.961 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000851893145 655603147 /nfs/dbraw/zinc/60/31/47/655603147.db2.gz GYRBVYFWQJYYBY-BXUZGUMPSA-N 1 0 380.403 1.569 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000851898644 655603549 /nfs/dbraw/zinc/60/35/49/655603549.db2.gz WODLFDPYVSSPQC-SWLSCSKDSA-N 1 0 394.430 1.830 20 0 GDADRO COC[C@@H](C[NH+]1CCC(n2nncc2I)CC1)OC ZINC000852533467 655617818 /nfs/dbraw/zinc/61/78/18/655617818.db2.gz ZEMYQHQJGBRXOJ-LLVKDONJSA-N 1 0 380.230 1.181 20 0 GDADRO CC(C)[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852729622 655621411 /nfs/dbraw/zinc/62/14/11/655621411.db2.gz ABFHNYRJSFKGTE-CVEARBPZSA-N 1 0 375.918 1.927 20 0 GDADRO [NH3+]CCn1cc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)nn1 ZINC000852799617 655622862 /nfs/dbraw/zinc/62/28/62/655622862.db2.gz GLSOTFNRFSJHLR-AWEZNQCLSA-N 1 0 380.246 1.213 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)CCO1 ZINC000852800039 655622904 /nfs/dbraw/zinc/62/29/04/655622904.db2.gz LGTJFTWDIDYMEV-FZMZJTMJSA-N 1 0 379.258 1.823 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901444 655626092 /nfs/dbraw/zinc/62/60/92/655626092.db2.gz IMCRHRXIJVFLOF-FOGDFJRCSA-N 1 0 397.155 1.620 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000852919917 655628276 /nfs/dbraw/zinc/62/82/76/655628276.db2.gz FBSDHDKCCBBROP-VIFPVBQESA-N 1 0 390.303 1.228 20 0 GDADRO O=C(c1nc(Cl)cs1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852930061 655628637 /nfs/dbraw/zinc/62/86/37/655628637.db2.gz FHCGNYZXGDQQTA-LLVKDONJSA-N 1 0 380.905 1.949 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC000853052989 655630585 /nfs/dbraw/zinc/63/05/85/655630585.db2.gz JOOPPRZFLMMPOA-UHFFFAOYSA-N 1 0 376.523 1.025 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC[S@@](=O)CC(F)(F)F ZINC000853466497 655640085 /nfs/dbraw/zinc/64/00/85/655640085.db2.gz DRHPFOPINXWKJC-DLUDVSRJSA-N 1 0 379.448 1.770 20 0 GDADRO CN(CC1C[NH+](C)C1)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000853552822 655642457 /nfs/dbraw/zinc/64/24/57/655642457.db2.gz HWEQRMRHGVDAGH-GOSISDBHSA-N 1 0 394.313 1.917 20 0 GDADRO CCN(C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CC[N@H+](C)C1 ZINC000853847024 655651847 /nfs/dbraw/zinc/65/18/47/655651847.db2.gz VMQXFAVVPIJVAJ-LBPRGKRZSA-N 1 0 386.440 1.036 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000853913148 655653874 /nfs/dbraw/zinc/65/38/74/655653874.db2.gz FZRYWZPUBYGONT-UHFFFAOYSA-N 1 0 399.337 1.197 20 0 GDADRO O=Cc1ccc(OCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(Br)c1 ZINC000854353291 655663563 /nfs/dbraw/zinc/66/35/63/655663563.db2.gz VXKPJJIJAYMIID-AWEZNQCLSA-N 1 0 396.285 1.147 20 0 GDADRO Cn1nnc(Br)c1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000855401819 655693052 /nfs/dbraw/zinc/69/30/52/655693052.db2.gz BAWVCAAAMOTNAV-ZDUSSCGKSA-N 1 0 394.273 1.074 20 0 GDADRO C[C@H](CCNC(=O)c1cc(S(C)(=O)=O)ccc1Br)[NH+](C)C ZINC000855411575 655693609 /nfs/dbraw/zinc/69/36/09/655693609.db2.gz PSYJAQWFPQZOOY-SNVBAGLBSA-N 1 0 377.304 1.923 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000855697388 655699689 /nfs/dbraw/zinc/69/96/89/655699689.db2.gz RJAWQZVJIBSGQX-UHFFFAOYSA-N 1 0 386.283 1.733 20 0 GDADRO Cn1nnc(Br)c1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000855733162 655700757 /nfs/dbraw/zinc/70/07/57/655700757.db2.gz QNMAIMDPHUGBHG-CQSZACIVSA-N 1 0 392.301 1.967 20 0 GDADRO COc1ccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)nc1I ZINC000856490038 655714053 /nfs/dbraw/zinc/71/40/53/655714053.db2.gz UIPIFGFIYGXWDB-LLVKDONJSA-N 1 0 389.237 1.765 20 0 GDADRO Cn1cc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)c(Cl)n1 ZINC000856770510 655718838 /nfs/dbraw/zinc/71/88/38/655718838.db2.gz UIDDNEWWBMOJFU-UHFFFAOYSA-N 1 0 376.910 1.136 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CC(O)(c3cccc(Br)c3)C2)C1 ZINC000856867323 655720825 /nfs/dbraw/zinc/72/08/25/655720825.db2.gz PTYNWEJIZBYHBB-OAHLLOKOSA-N 1 0 398.301 1.383 20 0 GDADRO CN(OCC(F)(F)F)C(=O)CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000857001431 655725268 /nfs/dbraw/zinc/72/52/68/655725268.db2.gz JCQTZOIMJCWVHD-NSHDSACASA-N 1 0 382.408 1.602 20 0 GDADRO Nc1nc(N2CCC[C@@H](OC(=O)c3cc(Br)c[nH]c3=O)C2)cc[nH+]1 ZINC000857022979 655726049 /nfs/dbraw/zinc/72/60/49/655726049.db2.gz KCCPPUDFKQEKFJ-SNVBAGLBSA-N 1 0 394.229 1.748 20 0 GDADRO C[N@H+](CC(=O)N1CC(O)(c2ccc(Br)cc2)C1)[C@H]1CCSC1 ZINC000857336023 655734936 /nfs/dbraw/zinc/73/49/36/655734936.db2.gz GLBUUBQGLGOSCB-AWEZNQCLSA-N 1 0 385.327 1.916 20 0 GDADRO C[NH+](C)CCn1nccc1NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857721538 655740221 /nfs/dbraw/zinc/74/02/21/655740221.db2.gz NSMHBEJBMRMKMJ-UHFFFAOYSA-N 1 0 383.250 1.186 20 0 GDADRO COc1cc([C@@H](C)[NH2+]C[C@H]2COCCN2C)ccc1S(=O)(=O)C(F)F ZINC000858521319 655749026 /nfs/dbraw/zinc/74/90/26/655749026.db2.gz MKQZROHUAUAIMQ-YPMHNXCESA-N 1 0 378.441 1.673 20 0 GDADRO [NH3+]CC[C@@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C(F)F ZINC000858612257 655750219 /nfs/dbraw/zinc/75/02/19/655750219.db2.gz IPXDIEMATKNFFY-SECBINFHSA-N 1 0 375.319 1.448 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000858615935 655750454 /nfs/dbraw/zinc/75/04/54/655750454.db2.gz ISZIHEDUOFQSEE-PWSUYJOCSA-N 1 0 379.404 1.935 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cnc1Cl ZINC000858624398 655750983 /nfs/dbraw/zinc/75/09/83/655750983.db2.gz GTWIHLIETMIZBF-SCZZXKLOSA-N 1 0 387.811 1.891 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1Br ZINC000858631590 655751505 /nfs/dbraw/zinc/75/15/05/655751505.db2.gz GXJBJBSTJIDKDI-VHSXEESVSA-N 1 0 391.287 1.655 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cnc1Cl ZINC000858643222 655752083 /nfs/dbraw/zinc/75/20/83/655752083.db2.gz XRIYGJUFGIRGOS-ZDUSSCGKSA-N 1 0 389.905 1.523 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)nc1F ZINC000858902803 655755237 /nfs/dbraw/zinc/75/52/37/655755237.db2.gz FKVVYDJBIHGOPR-VHSXEESVSA-N 1 0 378.267 1.888 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)nc1F ZINC000859003564 655759037 /nfs/dbraw/zinc/75/90/37/655759037.db2.gz SNGTUSURDIENIO-JTQLQIEISA-N 1 0 396.282 1.108 20 0 GDADRO O=C(Nc1cccc(Br)n1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000859676933 655788749 /nfs/dbraw/zinc/78/87/49/655788749.db2.gz DCAPAGJRAKHEPE-UHFFFAOYSA-N 1 0 397.277 1.019 20 0 GDADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc(Br)c(C)n(C)c2=O)C1 ZINC000861352256 655820100 /nfs/dbraw/zinc/82/01/00/655820100.db2.gz MNWPJYXRYUGOCA-BDJLRTHQSA-N 1 0 387.274 1.722 20 0 GDADRO CSc1nc2ccc(NC(=O)C(=O)NC3(C[NH3+])CCOCC3)cc2s1 ZINC000861520568 655824473 /nfs/dbraw/zinc/82/44/73/655824473.db2.gz FFMOBENGXZHCTD-UHFFFAOYSA-N 1 0 380.495 1.581 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000861532453 655824973 /nfs/dbraw/zinc/82/49/73/655824973.db2.gz ZOAGCDOJKWEELD-IYBDPMFKSA-N 1 0 381.274 1.549 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000861633172 655827301 /nfs/dbraw/zinc/82/73/01/655827301.db2.gz ZVIGZGSYCXUNEF-VIFPVBQESA-N 1 0 383.301 1.260 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(Br)cnc3F)CC2)C1=O ZINC000861697453 655828471 /nfs/dbraw/zinc/82/84/71/655828471.db2.gz CJLVLJDLBOEHIX-ZDUSSCGKSA-N 1 0 399.264 1.408 20 0 GDADRO CC(C)(C)n1ncc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1Br ZINC000861719829 655829145 /nfs/dbraw/zinc/82/91/45/655829145.db2.gz PEFJMOBJRJRWIP-RYUDHWBXSA-N 1 0 385.306 1.682 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000861807120 655831195 /nfs/dbraw/zinc/83/11/95/655831195.db2.gz AHUYHWXSZTXMBI-HZMBPMFUSA-N 1 0 377.242 1.685 20 0 GDADRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862332935 655844443 /nfs/dbraw/zinc/84/44/43/655844443.db2.gz ZVLSGYJIQQIMPX-CABCVRRESA-N 1 0 378.535 1.815 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000863764079 655880444 /nfs/dbraw/zinc/88/04/44/655880444.db2.gz PAGVLNZDFOPHDL-VIFPVBQESA-N 1 0 376.682 1.867 20 0 GDADRO C[C@H](CNC(=O)c1cc(I)nn1C)[N@@H+]1CCC[C@H](C)C1 ZINC000864878006 655907734 /nfs/dbraw/zinc/90/77/34/655907734.db2.gz YVWZLDOSRPNHRZ-WDEREUQCSA-N 1 0 390.269 1.875 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(I)nn2C)C1 ZINC000865046435 655910629 /nfs/dbraw/zinc/91/06/29/655910629.db2.gz JJSHSRNNDQJYFV-LLVKDONJSA-N 1 0 390.269 1.875 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2cncc(Br)c2n1 ZINC000865057267 655910946 /nfs/dbraw/zinc/91/09/46/655910946.db2.gz CGGANEKCHHPLRA-OLZOCXBDSA-N 1 0 391.269 1.985 20 0 GDADRO CC(=O)Nc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000865461203 655920309 /nfs/dbraw/zinc/92/03/09/655920309.db2.gz XZWJJNSJTZMHNF-UHFFFAOYSA-N 1 0 375.441 1.999 20 0 GDADRO COc1cc(C[NH2+]CCOCCS(C)(=O)=O)c(F)cc1Br ZINC000865476093 655920456 /nfs/dbraw/zinc/92/04/56/655920456.db2.gz TYJLIRGUTMQIKA-UHFFFAOYSA-N 1 0 384.267 1.748 20 0 GDADRO Brc1cnn(CCCC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)c1 ZINC000865548019 655921697 /nfs/dbraw/zinc/92/16/97/655921697.db2.gz SESKFARMSWUUDF-OAHLLOKOSA-N 1 0 383.294 1.986 20 0 GDADRO O=C1OC[C@]2(C[NH2+]Cc3cc4c(cc3Br)OCO4)COCCN12 ZINC000865768003 655926115 /nfs/dbraw/zinc/92/61/15/655926115.db2.gz VDQXRRUKNBBXEW-HNNXBMFYSA-N 1 0 385.214 1.489 20 0 GDADRO COc1ccc(Br)c(C[NH2+]C[C@@]23COCCN2C(=O)COC3)c1 ZINC000865796838 655927056 /nfs/dbraw/zinc/92/70/56/655927056.db2.gz APMFSTFGEDBCNT-INIZCTEOSA-N 1 0 385.258 1.175 20 0 GDADRO C[C@H](CNC(=O)c1cc(Br)cc(F)c1[O-])C[NH+]1CCN(C)CC1 ZINC000865803395 655927366 /nfs/dbraw/zinc/92/73/66/655927366.db2.gz ZYZDHYDBOJQSOR-LLVKDONJSA-N 1 0 388.281 1.907 20 0 GDADRO CN1CC[NH+](C2CCN(c3ncc(I)cn3)CC2)CC1 ZINC000866214315 655936193 /nfs/dbraw/zinc/93/61/93/655936193.db2.gz NEBMAXMDYOFDIO-UHFFFAOYSA-N 1 0 387.269 1.297 20 0 GDADRO Cn1ncc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)c1C(F)(F)F ZINC000866424797 655942199 /nfs/dbraw/zinc/94/21/99/655942199.db2.gz HHXVYFOLGIWQIF-UHFFFAOYSA-N 1 0 376.404 1.979 20 0 GDADRO C[S@@](=O)(=NS(=O)(=O)NCCC[NH+]1CCCCC1)c1ccccc1F ZINC000866428120 655942390 /nfs/dbraw/zinc/94/23/90/655942390.db2.gz RFVYXGOPJYHJEO-QHCPKHFHSA-N 1 0 377.507 1.993 20 0 GDADRO Cn1ncc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c1Br ZINC000866478307 655945952 /nfs/dbraw/zinc/94/59/52/655945952.db2.gz INRLTUBUENDAGI-UHFFFAOYSA-N 1 0 379.324 1.725 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCC([NH+]2CCCCC2)CC1 ZINC000866533479 655948400 /nfs/dbraw/zinc/94/84/00/655948400.db2.gz QQYBBWVCSUWBSH-UHFFFAOYSA-N 1 0 377.308 1.811 20 0 GDADRO Cn1cc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c(Br)n1 ZINC000866554100 655949215 /nfs/dbraw/zinc/94/92/15/655949215.db2.gz PCOPKFIDRMVWEX-UHFFFAOYSA-N 1 0 379.324 1.724 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)nc1F ZINC000866688421 655954658 /nfs/dbraw/zinc/95/46/58/655954658.db2.gz PNPAOCDXAQORIF-UHFFFAOYSA-N 1 0 379.429 1.254 20 0 GDADRO C[C@]1(CS(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000866731813 655957164 /nfs/dbraw/zinc/95/71/64/655957164.db2.gz DUPSVVDLDNVTQJ-CQSZACIVSA-N 1 0 398.356 1.140 20 0 GDADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866736428 655957539 /nfs/dbraw/zinc/95/75/39/655957539.db2.gz XQPJVQCJWJGDRF-JTQLQIEISA-N 1 0 378.376 1.426 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1Br ZINC000866744783 655958245 /nfs/dbraw/zinc/95/82/45/655958245.db2.gz TXEVCHLHKIEKKJ-QWRGUYRKSA-N 1 0 377.308 1.335 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCc1ccc(Br)cc1F ZINC000866748470 655958711 /nfs/dbraw/zinc/95/87/11/655958711.db2.gz RSLVNMHHCNEPRP-UHFFFAOYSA-N 1 0 394.310 1.649 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000866777012 655962154 /nfs/dbraw/zinc/96/21/54/655962154.db2.gz NQIQGAYMOIUJEY-HZPDHXFCSA-N 1 0 389.543 1.483 20 0 GDADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)C1 ZINC000866807995 655965956 /nfs/dbraw/zinc/96/59/56/655965956.db2.gz WCKWUZJSZOMVOV-XWEPSHTISA-N 1 0 393.694 1.766 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1OC ZINC000866808452 655966101 /nfs/dbraw/zinc/96/61/01/655966101.db2.gz OUKDYXCBDTUDFN-KYZUINATSA-N 1 0 379.276 1.482 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C1CC[NH2+]CC1 ZINC000866812871 655966321 /nfs/dbraw/zinc/96/63/21/655966321.db2.gz IWCYSKSPMVEDIY-JTQLQIEISA-N 1 0 380.919 1.410 20 0 GDADRO Cc1cc(S(=O)(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)sc1Cl ZINC000866817371 655966733 /nfs/dbraw/zinc/96/67/33/655966733.db2.gz SXHRMKQISQEJNG-AXFHLTTASA-N 1 0 391.902 1.266 20 0 GDADRO COCCC1(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)CC[NH2+]CC1 ZINC000866821320 655967101 /nfs/dbraw/zinc/96/71/01/655967101.db2.gz ZTVZBNFDTZGDSQ-UHFFFAOYSA-N 1 0 390.889 1.564 20 0 GDADRO COCCC1(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC[NH2+]CC1 ZINC000866821621 655967115 /nfs/dbraw/zinc/96/71/15/655967115.db2.gz MQDKPGAHLCQOQC-UHFFFAOYSA-N 1 0 382.404 1.864 20 0 GDADRO CN(c1ccc(Br)nc1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866890180 655974087 /nfs/dbraw/zinc/97/40/87/655974087.db2.gz XUDKCCIDVVLKKA-UHFFFAOYSA-N 1 0 391.335 1.248 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)C1 ZINC000866895778 655974804 /nfs/dbraw/zinc/97/48/04/655974804.db2.gz YKYDEEBDGSGCBL-ZAMGYDSWSA-N 1 0 377.507 1.943 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cnn(C)c2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000867125106 655999082 /nfs/dbraw/zinc/99/90/82/655999082.db2.gz SMCNRMJLTZPVJZ-QWRGUYRKSA-N 1 0 398.476 1.639 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cnn(C)c1Br ZINC000867146203 656002156 /nfs/dbraw/zinc/00/21/56/656002156.db2.gz ONWSIBXZYOBQOD-QWRGUYRKSA-N 1 0 379.324 1.581 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC000867194329 656010445 /nfs/dbraw/zinc/01/04/45/656010445.db2.gz RMZFIUZDFWILAE-HUUCEWRRSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cn(C)nc1Br ZINC000867269166 656027313 /nfs/dbraw/zinc/02/73/13/656027313.db2.gz GOOWTDXCABEWGY-GHMZBOCLSA-N 1 0 377.308 1.430 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000867298475 656033430 /nfs/dbraw/zinc/03/34/30/656033430.db2.gz FFCHLOCATUCDOQ-LLVKDONJSA-N 1 0 380.436 1.934 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cc(F)c(Cl)cc2C=O)CC1 ZINC000867311569 656035899 /nfs/dbraw/zinc/03/58/99/656035899.db2.gz OWCSNEDGNXIXGU-UHFFFAOYSA-N 1 0 378.853 1.638 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000867400313 656052799 /nfs/dbraw/zinc/05/27/99/656052799.db2.gz YUYITPSGUSZIMQ-UHFFFAOYSA-N 1 0 376.910 1.257 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Br)cn2)C[C@H]1C ZINC000867514075 656074139 /nfs/dbraw/zinc/07/41/39/656074139.db2.gz JZJNHARCSUDMRT-DOMZBBRYSA-N 1 0 397.317 1.792 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000867528218 656077747 /nfs/dbraw/zinc/07/77/47/656077747.db2.gz NGCXCGGHLWHSGA-LLVKDONJSA-N 1 0 379.404 1.950 20 0 GDADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000867534515 656079510 /nfs/dbraw/zinc/07/95/10/656079510.db2.gz TVRRPOWIIXPONY-GFCCVEGCSA-N 1 0 385.873 1.701 20 0 GDADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1nc[nH]c1Br ZINC000867555433 656082749 /nfs/dbraw/zinc/08/27/49/656082749.db2.gz LLQOJLOTOJGSHK-LLVKDONJSA-N 1 0 377.308 1.858 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)cn3)CC[C@@H]21 ZINC000867579267 656087672 /nfs/dbraw/zinc/08/76/72/656087672.db2.gz XVMHTHIUGNADPE-DOMZBBRYSA-N 1 0 395.301 1.403 20 0 GDADRO Cn1nc(I)cc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000867764601 656112664 /nfs/dbraw/zinc/11/26/64/656112664.db2.gz RZNXFGDGOKBFTN-UHFFFAOYSA-N 1 0 390.269 1.877 20 0 GDADRO Cc1nc(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)sc1Br ZINC000867813285 656120410 /nfs/dbraw/zinc/12/04/10/656120410.db2.gz UMXFFCQHPPXZPZ-NXEZZACHSA-N 1 0 380.333 1.929 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000867891597 656130952 /nfs/dbraw/zinc/13/09/52/656130952.db2.gz MIJYDIXHLVUVJU-GJZGRUSLSA-N 1 0 375.535 1.742 20 0 GDADRO N[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc(Br)c1 ZINC000867958176 656135663 /nfs/dbraw/zinc/13/56/63/656135663.db2.gz KWSLMAYUASIPGU-MRXNPFEDSA-N 1 0 382.302 1.772 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000867961675 656135731 /nfs/dbraw/zinc/13/57/31/656135731.db2.gz YNNUJVPBBMXKMS-PMPSAXMXSA-N 1 0 380.286 1.979 20 0 GDADRO CC(C)n1ncc(C(=O)NC[C@@H]2CCC[NH2+]C2)c1I ZINC000867963806 656135983 /nfs/dbraw/zinc/13/59/83/656135983.db2.gz IHUPMZOXJRBMLH-SNVBAGLBSA-N 1 0 376.242 1.798 20 0 GDADRO C[C@@]1([NH3+])CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000868072222 656139431 /nfs/dbraw/zinc/13/94/31/656139431.db2.gz QBXJDLCWZZNEFP-CQSZACIVSA-N 1 0 375.288 1.314 20 0 GDADRO CC(C)(C(=O)N1CC[C@](C)([NH3+])C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000868075507 656139619 /nfs/dbraw/zinc/13/96/19/656139619.db2.gz KLRXAMGKCNCRMU-HNNXBMFYSA-N 1 0 389.315 1.951 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)cn2ccnc12 ZINC000868089279 656140263 /nfs/dbraw/zinc/14/02/63/656140263.db2.gz OCIMSWLFVUZBLA-CYBMUJFWSA-N 1 0 378.274 1.217 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Br)cn2ccnc12 ZINC000868243376 656145786 /nfs/dbraw/zinc/14/57/86/656145786.db2.gz IKEGOCXVCUONDK-ZDUSSCGKSA-N 1 0 381.274 1.673 20 0 GDADRO C[NH+](C)C1(CNC(=O)NCc2ncc(Br)s2)CCOCC1 ZINC000868285957 656148693 /nfs/dbraw/zinc/14/86/93/656148693.db2.gz OQEJFUUNUIXHPB-UHFFFAOYSA-N 1 0 377.308 1.816 20 0 GDADRO CSC1(CNC(=O)Cn2ccc(Br)cc2=O)CC[NH+](C)CC1 ZINC000868441049 656156139 /nfs/dbraw/zinc/15/61/39/656156139.db2.gz QDIQDYAXXXOBDT-UHFFFAOYSA-N 1 0 388.331 1.554 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(S(C)(=O)=O)c(Cl)c3)CC[C@H]21 ZINC000868541194 656160190 /nfs/dbraw/zinc/16/01/90/656160190.db2.gz PSXBWYAKRJCKIA-UKRRQHHQSA-N 1 0 385.917 1.979 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3nc(Br)sc3Cl)C2)CC1 ZINC000868555754 656160667 /nfs/dbraw/zinc/16/06/67/656160667.db2.gz SIFLDQFHTGFZBA-UHFFFAOYSA-N 1 0 393.738 1.878 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C(C)(C)C)nc2Br)C1 ZINC000869778544 656207233 /nfs/dbraw/zinc/20/72/33/656207233.db2.gz DITZOVMPBYGCCT-NSHDSACASA-N 1 0 387.322 1.976 20 0 GDADRO N[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000870900795 656254473 /nfs/dbraw/zinc/25/44/73/656254473.db2.gz WTLFRXGSKBFTQM-BBRMVZONSA-N 1 0 382.302 1.630 20 0 GDADRO CC(C)n1ncc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1I ZINC000870913495 656255090 /nfs/dbraw/zinc/25/50/90/656255090.db2.gz VXOPBPSELXDTBE-NXEZZACHSA-N 1 0 376.242 1.891 20 0 GDADRO CN(C)C(=O)Cn1cc(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)cn1 ZINC000870922436 656255701 /nfs/dbraw/zinc/25/57/01/656255701.db2.gz FHWWDMQDEVKYJN-CQSZACIVSA-N 1 0 380.246 1.372 20 0 GDADRO Cn1ccnc1N1CCC(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870931795 656256257 /nfs/dbraw/zinc/25/62/57/656256257.db2.gz NGXWSCLSBIUJGJ-OAHLLOKOSA-N 1 0 392.301 1.968 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1I ZINC000870936209 656256499 /nfs/dbraw/zinc/25/64/99/656256499.db2.gz DKDSLLGKMBSWLC-KOLCDFICSA-N 1 0 376.242 1.878 20 0 GDADRO [NH3+][C@H]1C[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 ZINC000870969576 656259298 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GDADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCNCC[NH2+]CC1 ZINC000923691247 656589473 /nfs/dbraw/zinc/58/94/73/656589473.db2.gz DUHHXPVJFZKVHE-UHFFFAOYSA-N 1 0 382.711 1.286 20 0 GDADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCNCC[NH2+]CC1 ZINC000923690760 656589517 /nfs/dbraw/zinc/58/95/17/656589517.db2.gz FZGQUEWDVWZJFO-UHFFFAOYSA-N 1 0 382.711 1.286 20 0 GDADRO [NH3+][C@]1(CO)CCCN(S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000923694237 656590216 /nfs/dbraw/zinc/59/02/16/656590216.db2.gz DKLMJFQUNAZNRG-CQSZACIVSA-N 1 0 389.271 1.670 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000923695794 656591233 /nfs/dbraw/zinc/59/12/33/656591233.db2.gz QVRNTVGLCIQNEC-LBPRGKRZSA-N 1 0 383.695 1.577 20 0 GDADRO O=C(NCc1ncc(Br)s1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000876282916 656591984 /nfs/dbraw/zinc/59/19/84/656591984.db2.gz AEVKBARFWCAOQV-NSHDSACASA-N 1 0 389.319 1.646 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H](CC[NH3+])C2)c1F ZINC000923701047 656593018 /nfs/dbraw/zinc/59/30/18/656593018.db2.gz 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[NH3+]Cc1ncc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)cn1 ZINC000876627269 656619335 /nfs/dbraw/zinc/61/93/35/656619335.db2.gz FCVCYJRUSMOUJQ-AWEZNQCLSA-N 1 0 377.242 1.912 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876633651 656619870 /nfs/dbraw/zinc/61/98/70/656619870.db2.gz FNNLXHLKEZRBTC-CABZTGNLSA-N 1 0 376.201 1.652 20 0 GDADRO [NH3+]C[C@@H]1[C@H](C(=O)NCCc2ccc(I)s2)C1(F)F ZINC000876645093 656621012 /nfs/dbraw/zinc/62/10/12/656621012.db2.gz KUQHAHKJHXBQEA-VXNVDRBHSA-N 1 0 386.205 1.851 20 0 GDADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000876660447 656622260 /nfs/dbraw/zinc/62/22/60/656622260.db2.gz DLZZBAULSQOGDO-LLVKDONJSA-N 1 0 385.555 1.956 20 0 GDADRO C[S@@](=O)C1(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000876658575 656622286 /nfs/dbraw/zinc/62/22/86/656622286.db2.gz ZOJJGWVTMLQCNF-JCQPUDPBSA-N 1 0 379.309 1.644 20 0 GDADRO Cn1nc(I)cc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000876793197 656630671 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COC[C@]1(C(=O)Nc2cc(OC)c(Br)c(OC)c2)C[NH2+]CCO1 ZINC000876893166 656637388 /nfs/dbraw/zinc/63/73/88/656637388.db2.gz JKMIRKVLJYUVJJ-HNNXBMFYSA-N 1 0 389.246 1.410 20 0 GDADRO C[C@@H]1CC2(CN1C(=O)c1cc(I)nn1C)CC[NH2+]CC2 ZINC000876933720 656640955 /nfs/dbraw/zinc/64/09/55/656640955.db2.gz XJXJTTBPXAKHTF-SNVBAGLBSA-N 1 0 388.253 1.629 20 0 GDADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCNC(=O)c1ccc(Br)cn1 ZINC000876959368 656642470 /nfs/dbraw/zinc/64/24/70/656642470.db2.gz RBGZVENPTWQQLK-RYBZSIHZSA-N 1 0 381.274 1.246 20 0 GDADRO C[NH2+]CCOCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000877024685 656647073 /nfs/dbraw/zinc/64/70/73/656647073.db2.gz LFMZMQOVSMQPST-UHFFFAOYSA-N 1 0 389.905 1.090 20 0 GDADRO COc1cc(I)ccc1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000877037942 656648212 /nfs/dbraw/zinc/64/82/12/656648212.db2.gz DKAOIAJYRDJRJV-JTQLQIEISA-N 1 0 376.194 1.018 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000877042130 656648705 /nfs/dbraw/zinc/64/87/05/656648705.db2.gz NFEVUXFMFQTLCF-GFCCVEGCSA-N 1 0 389.905 1.089 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCOCCS(C)(=O)=O)C12CCC2 ZINC000877045186 656649034 /nfs/dbraw/zinc/64/90/34/656649034.db2.gz RPKAKRVLSBCEKF-ZIAGYGMSSA-N 1 0 376.519 1.473 20 0 GDADRO CC(C)n1ncc(C(=O)NCCOCCC[NH3+])c1I ZINC000877053057 656650513 /nfs/dbraw/zinc/65/05/13/656650513.db2.gz BGMRKSQNUMFLRZ-UHFFFAOYSA-N 1 0 380.230 1.164 20 0 GDADRO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877096658 656652529 /nfs/dbraw/zinc/65/25/29/656652529.db2.gz MTJPBLLCEWQUCZ-NNLJJJQZSA-N 1 0 385.555 1.504 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877104426 656653314 /nfs/dbraw/zinc/65/33/14/656653314.db2.gz GJKYTNJHRLPVCU-WCQYABFASA-N 1 0 377.507 1.031 20 0 GDADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877128425 656655357 /nfs/dbraw/zinc/65/53/57/656655357.db2.gz BDRMSNHPSFLESC-GJZGRUSLSA-N 1 0 391.295 1.960 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)=NO1 ZINC000877139594 656656275 /nfs/dbraw/zinc/65/62/75/656656275.db2.gz TVINCIQSENFRJV-GFCCVEGCSA-N 1 0 394.269 1.948 20 0 GDADRO Cn1cc(CNC(=O)N2CCC(OCC[NH+](C)C)CC2)c(Br)n1 ZINC000924555542 656657200 /nfs/dbraw/zinc/65/72/00/656657200.db2.gz IKVNHDMGENLPQZ-UHFFFAOYSA-N 1 0 388.310 1.435 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000877173222 656658156 /nfs/dbraw/zinc/65/81/56/656658156.db2.gz AXDMAALRQZGUKJ-WCQYABFASA-N 1 0 386.905 1.084 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)nn1 ZINC000877261592 656661848 /nfs/dbraw/zinc/66/18/48/656661848.db2.gz OOAUYQXROLVQAM-NWANDNLSSA-N 1 0 376.258 1.458 20 0 GDADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Br)cn2ccnc12 ZINC000877327027 656667250 /nfs/dbraw/zinc/66/72/50/656667250.db2.gz LAYSFHJMIZXKQR-ZDUSSCGKSA-N 1 0 393.285 1.985 20 0 GDADRO CC(C)(C)OC(=O)N1CCCC[C@@H](C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000877344463 656668308 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GRRPOFFPDFVUIH-FRRDWIJNSA-N 1 0 385.452 1.176 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)c2nc(N3CCCC3)ncc2Cl)C[C@H]1C(F)(F)F ZINC000877369840 656671741 /nfs/dbraw/zinc/67/17/41/656671741.db2.gz OMFZQMLQLSDKTO-NXEZZACHSA-N 1 0 377.798 1.939 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)c2nc(N3CCCC3)ncc2Cl)C[C@@H]1C(F)(F)F ZINC000877369843 656671770 /nfs/dbraw/zinc/67/17/70/656671770.db2.gz OMFZQMLQLSDKTO-ZJUUUORDSA-N 1 0 377.798 1.939 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CN1C(=O)COc3cc(Br)ccc31)C2 ZINC000877377595 656672318 /nfs/dbraw/zinc/67/23/18/656672318.db2.gz RFEVENCEBVYFKP-APPDUMDISA-N 1 0 394.269 1.242 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388041 656672831 /nfs/dbraw/zinc/67/28/31/656672831.db2.gz UWVYRQDDFZOSTJ-ZFWWWQNUSA-N 1 0 392.308 1.673 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)CC1 ZINC000877488097 656676809 /nfs/dbraw/zinc/67/68/09/656676809.db2.gz FJEUEPFLRUNFSY-BQYQJAHWSA-N 1 0 375.535 1.907 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877520823 656678604 /nfs/dbraw/zinc/67/86/04/656678604.db2.gz ITZNMXQDJFLODA-UHFFFAOYSA-N 1 0 394.946 1.341 20 0 GDADRO CC(C)(C)OC(=O)N1[C@@H](C[NH2+]C[C@H]2CCCS(=O)(=O)C2)COC1(C)C ZINC000877533332 656679290 /nfs/dbraw/zinc/67/92/90/656679290.db2.gz MTMFFUZLLOFNAB-KGLIPLIRSA-N 1 0 376.519 1.773 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924845848 656682208 /nfs/dbraw/zinc/68/22/08/656682208.db2.gz ALZMLRPWIFJDHP-GFCCVEGCSA-N 1 0 383.246 1.178 20 0 GDADRO CO[C@]1(C[NH+]2CCC(n3nncc3I)CC2)CCOC1 ZINC000877630697 656684633 /nfs/dbraw/zinc/68/46/33/656684633.db2.gz JVYWUOFYXICCCE-ZDUSSCGKSA-N 1 0 392.241 1.325 20 0 GDADRO C[N@H+](CCO)CCNC(=O)c1ccc2[nH]cc(I)c2c1 ZINC000924996227 656691149 /nfs/dbraw/zinc/69/11/49/656691149.db2.gz QIBNXKIMRKNHNL-UHFFFAOYSA-N 1 0 387.221 1.426 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000925153952 656696456 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GDADRO CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)C1 ZINC000925521321 656714284 /nfs/dbraw/zinc/71/42/84/656714284.db2.gz BPNPJBUFMRDHFG-OOJKYFRXSA-N 1 0 375.535 1.597 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1(C)C ZINC000925615862 656715351 /nfs/dbraw/zinc/71/53/51/656715351.db2.gz PIYHTOVGCSJNIO-KGLIPLIRSA-N 1 0 375.535 1.788 20 0 GDADRO CCC[C@H]1CN(C[C@@H](O)c2cc(Br)no2)CC[N@@H+]1CCOC ZINC000878332137 656719015 /nfs/dbraw/zinc/71/90/15/656719015.db2.gz KQHWOEVGYPFBES-QWHCGFSZSA-N 1 0 376.295 1.903 20 0 GDADRO CCC[C@@H]1CN(C[C@@H](O)c2cc(Br)no2)CC[N@@H+]1CCOC ZINC000878332135 656719209 /nfs/dbraw/zinc/71/92/09/656719209.db2.gz KQHWOEVGYPFBES-CHWSQXEVSA-N 1 0 376.295 1.903 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000925790566 656719759 /nfs/dbraw/zinc/71/97/59/656719759.db2.gz BMYALBNGUWPAGO-HIFRSBDPSA-N 1 0 378.416 1.939 20 0 GDADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2cccc(I)c2)C1 ZINC000925901869 656725833 /nfs/dbraw/zinc/72/58/33/656725833.db2.gz NKSKIXJGIBERBN-CYBMUJFWSA-N 1 0 375.210 1.609 20 0 GDADRO COc1cc(Br)c(NC(=O)N2CCC[C@]([NH3+])(CO)C2)cc1OC ZINC000925971840 656728155 /nfs/dbraw/zinc/72/81/55/656728155.db2.gz BARJBOIJKSEKCD-OAHLLOKOSA-N 1 0 388.262 1.784 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cncc(Br)c1)C2 ZINC000926079939 656734190 /nfs/dbraw/zinc/73/41/90/656734190.db2.gz KFFUURGSMJSROM-ISOBSLSZSA-N 1 0 383.246 1.588 20 0 GDADRO COc1cc(NC(=O)N2CCC[C@@]([NH3+])(CO)C2)cc(OC)c1Br ZINC000926085225 656734761 /nfs/dbraw/zinc/73/47/61/656734761.db2.gz SATPCNPWYAWQRX-HNNXBMFYSA-N 1 0 388.262 1.784 20 0 GDADRO Cc1nccc(NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1Br ZINC000926096232 656735976 /nfs/dbraw/zinc/73/59/76/656735976.db2.gz PMEKTENTOFKUSM-NSHDSACASA-N 1 0 397.273 1.381 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1cccnc1Br)C2 ZINC000926152869 656739062 /nfs/dbraw/zinc/73/90/62/656739062.db2.gz FRTAAZHYNFGYPF-GZOSKZMVSA-N 1 0 396.329 1.983 20 0 GDADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000926210693 656740869 /nfs/dbraw/zinc/74/08/69/656740869.db2.gz OOPZDBGXWWVLQJ-LZWOXQAQSA-N 1 0 375.535 1.503 20 0 GDADRO NC(=O)[C@@H]1C[N@H+](C[C@H](O)c2cc(Br)no2)C[C@H]1c1ccccc1 ZINC000878711681 656743291 /nfs/dbraw/zinc/74/32/91/656743291.db2.gz MVUDMLGQDSRQCK-XQQFMLRXSA-N 1 0 380.242 1.671 20 0 GDADRO COc1cc(Br)cc(CNC(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000926283948 656743567 /nfs/dbraw/zinc/74/35/67/656743567.db2.gz CIWJMVBLNHPVJX-UHFFFAOYSA-N 1 0 386.290 1.714 20 0 GDADRO Cn1cc(I)c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000878736880 656745101 /nfs/dbraw/zinc/74/51/01/656745101.db2.gz OIRHZCVQRYHKSG-NSHDSACASA-N 1 0 388.253 1.725 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)CC[C@H]1C[NH3+] ZINC000926314172 656747158 /nfs/dbraw/zinc/74/71/58/656747158.db2.gz WRCPFXTYFPOOBS-QWRGUYRKSA-N 1 0 388.331 1.912 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)C1 ZINC000926433464 656754715 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1.518 20 0 GDADRO CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000926693742 656776665 /nfs/dbraw/zinc/77/66/65/656776665.db2.gz PFZDPPRWMAQNLW-IINYFYTJSA-N 1 0 384.395 1.958 20 0 GDADRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926732683 656777110 /nfs/dbraw/zinc/77/71/10/656777110.db2.gz IKSVGJSHBASAER-ZIAGYGMSSA-N 1 0 377.551 1.892 20 0 GDADRO CN(C(=O)Cc1c(Br)cnn1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000879167459 656778482 /nfs/dbraw/zinc/77/84/82/656778482.db2.gz JEIHOAHAPFMHFY-CQSZACIVSA-N 1 0 398.349 1.352 20 0 GDADRO CCO[C@@H](CNC(=O)NC[C@@H](O)c1ccccc1Br)C[NH+](C)C ZINC000926847278 656780865 /nfs/dbraw/zinc/78/08/65/656780865.db2.gz VYELJHFORUQIIB-SWLSCSKDSA-N 1 0 388.306 1.748 20 0 GDADRO Cn1cc(C(=O)NC[C@@H]2CCCN2C[C@H](O)c2cc(Br)no2)cn1 ZINC000879188489 656780886 /nfs/dbraw/zinc/78/08/86/656780886.db2.gz MOMIXFKOIOVRNC-RYUDHWBXSA-N 1 0 398.261 1.098 20 0 GDADRO C[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1nc(Br)ccc1F ZINC000926872296 656781551 /nfs/dbraw/zinc/78/15/51/656781551.db2.gz SVDQOHDIHCMJQG-SECBINFHSA-N 1 0 395.236 1.618 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCC(=O)N(C)Cc1ccccc1)C1(Br)CC1 ZINC000926966978 656782802 /nfs/dbraw/zinc/78/28/02/656782802.db2.gz PBURRALSOQZHTO-ZDUSSCGKSA-N 1 0 382.302 1.667 20 0 GDADRO C[C@H]([NH2+]CC1(n2cc(Br)cn2)CC1)C1CCS(=O)(=O)CC1 ZINC000927006280 656786654 /nfs/dbraw/zinc/78/66/54/656786654.db2.gz RLYQBCJJPAOFAQ-NSHDSACASA-N 1 0 376.320 1.938 20 0 GDADRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000927035031 656788236 /nfs/dbraw/zinc/78/82/36/656788236.db2.gz UUYMFLIYWSSNSC-ZWNOBZJWSA-N 1 0 382.404 1.418 20 0 GDADRO C[N@H+](CCNC(=O)Nc1cc(F)cc(F)c1Br)CCOCCO ZINC000879329272 656788457 /nfs/dbraw/zinc/78/84/57/656788457.db2.gz PIFARGHBMPNLGO-UHFFFAOYSA-N 1 0 396.232 1.790 20 0 GDADRO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)NCc2cnc(C)s2)CCC1(F)F ZINC000879367261 656790232 /nfs/dbraw/zinc/79/02/32/656790232.db2.gz GQEKFMQJGGIDAM-ZDUSSCGKSA-N 1 0 375.441 1.978 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N2CCC3(CCC[N@@H+]3C)CC2)cs1)C(N)=O ZINC000879373848 656790283 /nfs/dbraw/zinc/79/02/83/656790283.db2.gz AXFCTMIJRHBGOJ-GFCCVEGCSA-N 1 0 382.555 1.738 20 0 GDADRO CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000927125600 656796638 /nfs/dbraw/zinc/79/66/38/656796638.db2.gz APFWBTFAVYZWDB-ZFWWWQNUSA-N 1 0 386.905 1.756 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927311120 656805043 /nfs/dbraw/zinc/80/50/43/656805043.db2.gz OILYUBYMOYVYBF-MQVJKMGUSA-N 1 0 375.535 1.094 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cc(Br)nn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000879642597 656814103 /nfs/dbraw/zinc/81/41/03/656814103.db2.gz VMOSGDHTXUSCDX-STQMWFEESA-N 1 0 399.337 1.672 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cc(Br)nn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000879642595 656814223 /nfs/dbraw/zinc/81/42/23/656814223.db2.gz VMOSGDHTXUSCDX-OLZOCXBDSA-N 1 0 399.337 1.672 20 0 GDADRO COC[C@@H]([NH2+]CCC(=O)N(C)CC(=O)OC)c1cccc(Br)c1 ZINC000879662393 656817210 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COc1ccc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1SC ZINC000927844020 656844046 /nfs/dbraw/zinc/84/40/46/656844046.db2.gz RERNYEJUGRDRJF-NXEZZACHSA-N 1 0 377.388 1.704 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@H]1[NH3+] ZINC000927852369 656845430 /nfs/dbraw/zinc/84/54/30/656845430.db2.gz NJSVPNKIDQETEZ-LLVKDONJSA-N 1 0 381.274 1.856 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1)C(C)C ZINC000927865065 656846439 /nfs/dbraw/zinc/84/64/39/656846439.db2.gz NEZIDCSLOMPUIN-UHFFFAOYSA-N 1 0 399.333 1.906 20 0 GDADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCNCC[NH2+]CC1 ZINC000927880074 656849111 /nfs/dbraw/zinc/84/91/11/656849111.db2.gz ZIBLGZNZNQJYQZ-UHFFFAOYSA-N 1 0 378.782 1.319 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)N2CCNCC[NH2+]CC2)c(Br)c1 ZINC000927878711 656849284 /nfs/dbraw/zinc/84/92/84/656849284.db2.gz UERIEMFFJDRSDG-UHFFFAOYSA-N 1 0 383.290 1.026 20 0 GDADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000927887487 656850787 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CC[C@H](Sc1nc(CC(=O)NCC[C@H]2CCC[N@H+](C)C2)cs1)C(N)=O ZINC000880275263 656880710 /nfs/dbraw/zinc/88/07/10/656880710.db2.gz MJVJCAGCUBZZDY-OCCSQVGLSA-N 1 0 384.571 1.890 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CC=C[C@H]2CO)c1 ZINC000880484835 656892990 /nfs/dbraw/zinc/89/29/90/656892990.db2.gz BOBWEMMLQQUEBP-LBPRGKRZSA-N 1 0 387.889 1.152 20 0 GDADRO C[C@H]1[C@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000928450043 656902590 /nfs/dbraw/zinc/90/25/90/656902590.db2.gz BKRJPMPBIWJVLX-CMPLNLGQSA-N 1 0 379.404 1.193 20 0 GDADRO C[C@H]1[C@@H](NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000928449988 656902713 /nfs/dbraw/zinc/90/27/13/656902713.db2.gz AXBPSDRLRSWZMT-GWCFXTLKSA-N 1 0 394.324 1.871 20 0 GDADRO C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000928452715 656903806 /nfs/dbraw/zinc/90/38/06/656903806.db2.gz IOYZYCCOASEILN-ZANVPECISA-N 1 0 380.297 1.481 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC[N@@H+]1C ZINC000928456530 656903885 /nfs/dbraw/zinc/90/38/85/656903885.db2.gz MMGLLNYTYKJBGA-DOMZBBRYSA-N 1 0 385.917 1.947 20 0 GDADRO CO[C@@]1(CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCSC1 ZINC000928491084 656905782 /nfs/dbraw/zinc/90/57/82/656905782.db2.gz QGFQVAWZFMCOEY-SUMWQHHRSA-N 1 0 375.535 1.470 20 0 GDADRO C[NH+](C)CCCCC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 ZINC000928770846 656927616 /nfs/dbraw/zinc/92/76/16/656927616.db2.gz XESOTJWTTNSXKK-UHFFFAOYSA-N 1 0 375.516 1.773 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(Cc2cc(Br)ccc2C(=O)OC)nn1 ZINC000881338702 656928702 /nfs/dbraw/zinc/92/87/02/656928702.db2.gz BDWUOQPBEYWIIA-ZDUSSCGKSA-N 1 0 397.273 1.782 20 0 GDADRO [NH3+]C1CCN(CCc2cn(C[C@H](O)c3cccc(Br)c3)nn2)CC1 ZINC000881408216 656934132 /nfs/dbraw/zinc/93/41/32/656934132.db2.gz VMPVQOQRJGGMJQ-KRWDZBQOSA-N 1 0 394.317 1.740 20 0 GDADRO C[C@@](O)(Cn1cc([C@H]([NH3+])CO)nn1)c1ccc(Br)cc1Cl ZINC000881422472 656935691 /nfs/dbraw/zinc/93/56/91/656935691.db2.gz AGXPYSZRGVMDPD-DGCLKSJQSA-N 1 0 375.654 1.594 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881469812 656939474 /nfs/dbraw/zinc/93/94/74/656939474.db2.gz OXJQCIWBLJPNIZ-CYBMUJFWSA-N 1 0 385.306 1.485 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)cc3)C[C@]2(C)C1 ZINC000929305575 656959495 /nfs/dbraw/zinc/95/94/95/656959495.db2.gz VTIOIDMPUIMHTC-DYVFJYSZSA-N 1 0 380.286 1.475 20 0 GDADRO CN(CCN(C)S(=O)(=O)CC[C@@H]1CC1(Cl)Cl)C1CC[NH+](C)CC1 ZINC000881798612 656961394 /nfs/dbraw/zinc/96/13/94/656961394.db2.gz FIWWYRLFZRMKGJ-CYBMUJFWSA-N 1 0 386.389 1.858 20 0 GDADRO CN(C)[S@@](C)(=O)=NS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000881824174 656967009 /nfs/dbraw/zinc/96/70/09/656967009.db2.gz DZOGWEJFRTWHFE-DEOSSOPVSA-N 1 0 398.501 1.148 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000929581478 656973688 /nfs/dbraw/zinc/97/36/88/656973688.db2.gz IZWNGUXFPQDRON-UHFFFAOYSA-N 1 0 378.274 1.370 20 0 GDADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC2CN(S(C)(=O)=O)C2)CC1 ZINC000929597985 656974515 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20 0 GDADRO CCO[C@H](CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC000929745378 656982261 /nfs/dbraw/zinc/98/22/61/656982261.db2.gz RZMILAZDDKITBE-OAHLLOKOSA-N 1 0 390.311 1.735 20 0 GDADRO O[C@@H](C[NH+]1CCN(Cc2ccc(Br)cc2)CC1)C1(O)CCOCC1 ZINC000929845191 656987898 /nfs/dbraw/zinc/98/78/98/656987898.db2.gz IIDONOOBWJRVOF-KRWDZBQOSA-N 1 0 399.329 1.469 20 0 GDADRO Brc1nnc2ccc(NCC3([NH+]4CCCC4)CCOCC3)nn12 ZINC000881922959 656993910 /nfs/dbraw/zinc/99/39/10/656993910.db2.gz CMHNHIJPILWQDZ-UHFFFAOYSA-N 1 0 381.278 1.944 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000930016538 656996231 /nfs/dbraw/zinc/99/62/31/656996231.db2.gz CICMTLMHGHVYPO-HNNXBMFYSA-N 1 0 375.535 1.790 20 0 GDADRO CCO[C@@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)C[NH+](C)C ZINC000930294453 657013417 /nfs/dbraw/zinc/01/34/17/657013417.db2.gz RBDXAMRSLICURU-NSHDSACASA-N 1 0 375.267 1.236 20 0 GDADRO CCC[C@H](C(=O)OCC)S(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000882007434 657018270 /nfs/dbraw/zinc/01/82/70/657018270.db2.gz JLALNJBMRCMFJD-KLHDSHLOSA-N 1 0 376.519 1.232 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCCCC[C@H]2CCO)CCC1 ZINC000930369620 657019444 /nfs/dbraw/zinc/01/94/44/657019444.db2.gz DGWGUSYFZACEAX-HOTGVXAUSA-N 1 0 376.563 1.615 20 0 GDADRO CC[C@@](O)(C[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1)C(F)(F)F ZINC000930606765 657038480 /nfs/dbraw/zinc/03/84/80/657038480.db2.gz ABCPXAQDUFQRJT-CQSZACIVSA-N 1 0 383.436 1.405 20 0 GDADRO Cn1cc(C2=NC[C@H](C[N@H+](C)C[C@@H](O)c3cccc(Br)c3)O2)cn1 ZINC000930718048 657044988 /nfs/dbraw/zinc/04/49/88/657044988.db2.gz WOPDOGMFHUXKBB-HZPDHXFCSA-N 1 0 393.285 1.993 20 0 GDADRO COc1cc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ncc1Br ZINC000930788333 657049954 /nfs/dbraw/zinc/04/99/54/657049954.db2.gz ITTWUVTVHZBOIU-OLZOCXBDSA-N 1 0 399.289 1.916 20 0 GDADRO C[C@]1(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C[C@]1(F)Cl ZINC000930937715 657060054 /nfs/dbraw/zinc/06/00/54/657060054.db2.gz AYANLQVXPILNLO-RRQGHBQHSA-N 1 0 375.872 1.177 20 0 GDADRO CCO[C@@H](CNC(=O)C(=O)NCc1csc(C(F)(F)F)c1)C[NH+](C)C ZINC000931089705 657070681 /nfs/dbraw/zinc/07/06/81/657070681.db2.gz XCHBJYIKJIQACD-NSHDSACASA-N 1 0 381.420 1.466 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(CN2CCC([N@@H+]3CCCOCC3)CC2)s1 ZINC000931285335 657089412 /nfs/dbraw/zinc/08/94/12/657089412.db2.gz KLNSSUMXBZYZDA-UHFFFAOYSA-N 1 0 387.571 1.685 20 0 GDADRO COc1cc(Br)cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000931585620 657109893 /nfs/dbraw/zinc/10/98/93/657109893.db2.gz XXKNOHPCLKNBNN-LBPRGKRZSA-N 1 0 398.301 1.775 20 0 GDADRO C[S@](=O)(=NS(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CCCCC1 ZINC000882418087 657116897 /nfs/dbraw/zinc/11/68/97/657116897.db2.gz LXHNTRMJVSIRCP-IZHWHUGBSA-N 1 0 393.575 1.193 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3nc4cc(Br)ccn4n3)C[C@]2(C)C1 ZINC000931648784 657117555 /nfs/dbraw/zinc/11/75/55/657117555.db2.gz SIXXCWYQWFNFOW-BMIGLBTASA-N 1 0 379.262 1.907 20 0 GDADRO CCOC(=O)Cc1cnc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)s1 ZINC000931694811 657122061 /nfs/dbraw/zinc/12/20/61/657122061.db2.gz RAXHSTFTRZPGMG-QWHCGFSZSA-N 1 0 384.527 1.950 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)C1 ZINC000931738814 657124566 /nfs/dbraw/zinc/12/45/66/657124566.db2.gz PJUXRFMIPNWXEA-GFCCVEGCSA-N 1 0 386.543 1.810 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc3onc(Cl)c3c2)CC1 ZINC000882523718 657143124 /nfs/dbraw/zinc/14/31/24/657143124.db2.gz QENLGFWQXXRSLP-UHFFFAOYSA-N 1 0 386.905 1.787 20 0 GDADRO COc1cc(S(=O)(=O)NCCCN2CCC[N@H+](C)CC2)cnc1Cl ZINC000882524163 657143178 /nfs/dbraw/zinc/14/31/78/657143178.db2.gz YLEUGPMPAOFRLQ-UHFFFAOYSA-N 1 0 376.910 1.050 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cn3ncnc23)C1 ZINC000932150462 657152862 /nfs/dbraw/zinc/15/28/62/657152862.db2.gz QVAUFMIHHNLGIP-LBPRGKRZSA-N 1 0 382.262 1.332 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cn3ncnc23)C1 ZINC000932150461 657153004 /nfs/dbraw/zinc/15/30/04/657153004.db2.gz QVAUFMIHHNLGIP-GFCCVEGCSA-N 1 0 382.262 1.332 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)s1 ZINC000882621025 657160618 /nfs/dbraw/zinc/16/06/18/657160618.db2.gz HHNNJCNHZQNLLV-GFCCVEGCSA-N 1 0 381.479 1.829 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000882620787 657160702 /nfs/dbraw/zinc/16/07/02/657160702.db2.gz VYRZYFICSLUMBW-LLVKDONJSA-N 1 0 382.467 1.224 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1coc(Br)c1 ZINC000882629704 657163835 /nfs/dbraw/zinc/16/38/35/657163835.db2.gz JJGAGVXUSYWKBB-CQSZACIVSA-N 1 0 386.290 1.569 20 0 GDADRO CC(C)[N@H+](CCN(C)C(=O)OC(C)(C)C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000932408655 657183211 /nfs/dbraw/zinc/18/32/11/657183211.db2.gz ZQRSXOWKINVDKJ-OAHLLOKOSA-N 1 0 377.551 1.845 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000932577869 657201138 /nfs/dbraw/zinc/20/11/38/657201138.db2.gz SFJIKANRXMBCOB-ZDUSSCGKSA-N 1 0 384.322 1.721 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(Br)cnn2c1)N1CC[NH+](C)CC1 ZINC000932722950 657214348 /nfs/dbraw/zinc/21/43/48/657214348.db2.gz GXXIOJXGQAWROD-GFCCVEGCSA-N 1 0 380.290 1.463 20 0 GDADRO C[C@H](CNC(=O)c1ccccc1[S@@](=O)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000932723259 657214417 /nfs/dbraw/zinc/21/44/17/657214417.db2.gz NBUPGOKSJPPWGB-XELLLNAOSA-N 1 0 377.432 1.680 20 0 GDADRO O=C1CNC(=O)N1CC[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932808513 657223835 /nfs/dbraw/zinc/22/38/35/657223835.db2.gz GKRMOTLNPXDLJE-MRXNPFEDSA-N 1 0 382.258 1.284 20 0 GDADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 ZINC000932827352 657225795 /nfs/dbraw/zinc/22/57/95/657225795.db2.gz VUSZDPISPIWFJB-UHFFFAOYSA-N 1 0 376.504 1.128 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cnc1Br ZINC000932944617 657232078 /nfs/dbraw/zinc/23/20/78/657232078.db2.gz YWBXNFZSMXUMFV-HNNXBMFYSA-N 1 0 397.317 1.289 20 0 GDADRO COc1ncc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(C)c1Br ZINC000932946440 657232680 /nfs/dbraw/zinc/23/26/80/657232680.db2.gz PYYCESQYUDOSGD-LLVKDONJSA-N 1 0 386.294 1.528 20 0 GDADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000933034299 657247604 /nfs/dbraw/zinc/24/76/04/657247604.db2.gz ITIZGMOXIXQMQG-CQSZACIVSA-N 1 0 387.249 1.852 20 0 GDADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000933038905 657248943 /nfs/dbraw/zinc/24/89/43/657248943.db2.gz ISFPJPYFKBKEFP-ABAIWWIYSA-N 1 0 389.279 1.618 20 0 GDADRO Cn1nc2c(c1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)CSCC2 ZINC000882994417 657262537 /nfs/dbraw/zinc/26/25/37/657262537.db2.gz FJRDODSTKXSSLB-UHFFFAOYSA-N 1 0 394.513 1.563 20 0 GDADRO Cn1nc2c(c1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)CSCC2 ZINC000883037196 657266040 /nfs/dbraw/zinc/26/60/40/657266040.db2.gz OGXUSJYCXXGOFO-UHFFFAOYSA-N 1 0 398.476 1.613 20 0 GDADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCSC(F)(F)F)CC1 ZINC000883153647 657276059 /nfs/dbraw/zinc/27/60/59/657276059.db2.gz KDGJBQKVLXPFCY-UHFFFAOYSA-N 1 0 382.452 1.755 20 0 GDADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)[C@H]1CCCOC1 ZINC000883207924 657277600 /nfs/dbraw/zinc/27/76/00/657277600.db2.gz VQNJUUJHFXJDMU-LSDHHAIUSA-N 1 0 376.544 1.674 20 0 GDADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C)[C@@H]1CCCOC1 ZINC000883222018 657278406 /nfs/dbraw/zinc/27/84/06/657278406.db2.gz LQADKULJEHWILF-ZBFHGGJFSA-N 1 0 390.933 1.958 20 0 GDADRO C[N@H+](C[C@@H]1CCN1C(=O)OC(C)(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000933469193 657282728 /nfs/dbraw/zinc/28/27/28/657282728.db2.gz LVHJHVXFSKVYDM-CABCVRRESA-N 1 0 375.535 1.599 20 0 GDADRO C[N@H+](CCCCS(C)(=O)=O)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000933498144 657284065 /nfs/dbraw/zinc/28/40/65/657284065.db2.gz KXMXCVWSMWGJHO-UHFFFAOYSA-N 1 0 378.535 1.817 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)o1 ZINC000933595549 657288572 /nfs/dbraw/zinc/28/85/72/657288572.db2.gz SREWAQKLFSTHAP-LLVKDONJSA-N 1 0 375.878 1.528 20 0 GDADRO C[N@@H+]1CCN(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1(C)C ZINC000883506584 657294455 /nfs/dbraw/zinc/29/44/55/657294455.db2.gz GIMPTSQWHQIOHS-UHFFFAOYSA-N 1 0 386.440 1.036 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)[C@H](C)C[NH2+]1 ZINC000883592251 657299789 /nfs/dbraw/zinc/29/97/89/657299789.db2.gz BHMWADAJSNQPBM-RKDXNWHRSA-N 1 0 383.246 1.994 20 0 GDADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCC2SCCS2)CC1 ZINC000883730559 657309131 /nfs/dbraw/zinc/30/91/31/657309131.db2.gz UIVFKFNEKKHNNH-UHFFFAOYSA-N 1 0 386.587 1.698 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CCO1 ZINC000884042900 657321974 /nfs/dbraw/zinc/32/19/74/657321974.db2.gz KIXKTYLHJXTIQX-QCZZGDTMSA-N 1 0 383.242 1.105 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000884075418 657323419 /nfs/dbraw/zinc/32/34/19/657323419.db2.gz XYUAQHGXZJENLF-AWEZNQCLSA-N 1 0 378.416 1.958 20 0 GDADRO [NH3+][C@H](C(=O)N1CCC[C@@H](N2CCNC2=O)C1)c1ccc(Br)cc1 ZINC000884106231 657325763 /nfs/dbraw/zinc/32/57/63/657325763.db2.gz KYIHQKSDCYKYEP-KGLIPLIRSA-N 1 0 381.274 1.465 20 0 GDADRO COC[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000884146877 657330477 /nfs/dbraw/zinc/33/04/77/657330477.db2.gz UIBCAJMDTMLWTP-STQMWFEESA-N 1 0 382.404 1.271 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@@H](CCO)C2CCCC2)CCC1 ZINC000934017737 657333091 /nfs/dbraw/zinc/33/30/91/657333091.db2.gz KBFRPFNPBUEDIT-HOTGVXAUSA-N 1 0 376.563 1.519 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884302566 657343891 /nfs/dbraw/zinc/34/38/91/657343891.db2.gz UAZVUUYFBOKIKD-JSGCOSHPSA-N 1 0 383.242 1.025 20 0 GDADRO O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000934223510 657345666 /nfs/dbraw/zinc/34/56/66/657345666.db2.gz WRDKBYJHIXMPPG-CYBMUJFWSA-N 1 0 383.290 1.315 20 0 GDADRO C[C@H](c1ccccc1Br)N(C)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884329844 657347340 /nfs/dbraw/zinc/34/73/40/657347340.db2.gz WYDAYENMSWJVBP-MFKMUULPSA-N 1 0 377.304 1.731 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)Nc2c(Br)cnn2C2CC2)CC1=O ZINC000934371366 657357688 /nfs/dbraw/zinc/35/76/88/657357688.db2.gz RECFDEXBQRSIJS-UHFFFAOYSA-N 1 0 399.293 1.218 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cs1)C(N)=O ZINC000884462788 657359157 /nfs/dbraw/zinc/35/91/57/657359157.db2.gz OOOVODIAJCZPQH-AAEUAGOBSA-N 1 0 384.571 1.936 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1cccs1 ZINC000884488631 657360945 /nfs/dbraw/zinc/36/09/45/657360945.db2.gz BRJOIPWQTVJOBL-GHMZBOCLSA-N 1 0 377.432 1.738 20 0 GDADRO CC(C)([NH3+])CCNC(=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000884509426 657361867 /nfs/dbraw/zinc/36/18/67/657361867.db2.gz FZCIOXKDNAVEFP-UHFFFAOYSA-N 1 0 388.281 1.881 20 0 GDADRO C[C@@H]1CN(c2nc3ccc(Br)cc3c(=O)[nH]2)[C@@H](C)C[N@@H+]1CCO ZINC000884532056 657363413 /nfs/dbraw/zinc/36/34/13/657363413.db2.gz BEXNMPDJUWYELK-MNOVXSKESA-N 1 0 381.274 1.989 20 0 GDADRO C[C@](CO)([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1cccc(Br)c1 ZINC000934497611 657363938 /nfs/dbraw/zinc/36/39/38/657363938.db2.gz PPUPYVVBFKTPOS-MRXNPFEDSA-N 1 0 384.274 1.577 20 0 GDADRO C[C@](CO)([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000934497881 657364164 /nfs/dbraw/zinc/36/41/64/657364164.db2.gz RQMUPQSMPYEJGW-CQSZACIVSA-N 1 0 392.315 1.186 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884562514 657364387 /nfs/dbraw/zinc/36/43/87/657364387.db2.gz CCFOOBDKOBFAKB-ZYHUDNBSSA-N 1 0 384.274 1.127 20 0 GDADRO O=C(NCc1nc(C(F)(F)F)cs1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884548676 657364484 /nfs/dbraw/zinc/36/44/84/657364484.db2.gz PFKZAFIYFYSENH-ILWJIGKKSA-N 1 0 376.404 1.425 20 0 GDADRO CCN(C(=O)C(=O)NCC1(c2ccccc2Br)CC1)[C@H]1CC[NH2+]C1 ZINC000884586351 657366058 /nfs/dbraw/zinc/36/60/58/657366058.db2.gz IFZKGAQCZYDXBP-ZDUSSCGKSA-N 1 0 394.313 1.807 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884593244 657366532 /nfs/dbraw/zinc/36/65/32/657366532.db2.gz GHSVDIHDPUSHMA-BASYENTBSA-N 1 0 383.583 1.474 20 0 GDADRO Cn1cc(-c2nsc(NC(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)n2)cn1 ZINC000934556366 657368003 /nfs/dbraw/zinc/36/80/03/657368003.db2.gz ZUARQNXOHSBZDN-NEPJUHHUSA-N 1 0 379.515 1.640 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CC[NH2+]1 ZINC000884718061 657375060 /nfs/dbraw/zinc/37/50/60/657375060.db2.gz UBRLUQUKPZEFFI-SCZZXKLOSA-N 1 0 378.782 1.627 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000884724444 657375842 /nfs/dbraw/zinc/37/58/42/657375842.db2.gz TZSUUMXIHFVJEE-WFASDCNBSA-N 1 0 394.313 1.841 20 0 GDADRO O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000884814219 657380752 /nfs/dbraw/zinc/38/07/52/657380752.db2.gz BEUDOEPRYGAVSR-SNVBAGLBSA-N 1 0 379.766 1.080 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NCc2ncc(Br)s2)C1 ZINC000884964044 657390918 /nfs/dbraw/zinc/39/09/18/657390918.db2.gz FXWYZTPTWXCTRO-SECBINFHSA-N 1 0 389.319 1.416 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)CC1 ZINC000884991549 657397989 /nfs/dbraw/zinc/39/79/89/657397989.db2.gz YIBNNUXDQWMQAX-UHFFFAOYSA-N 1 0 375.803 1.755 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)C2(n3cc(Br)cn3)CC2)ccc1=O ZINC000935084343 657400027 /nfs/dbraw/zinc/40/00/27/657400027.db2.gz SPMDGQBLGRFCDV-UHFFFAOYSA-N 1 0 394.273 1.497 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(C)c(Br)c2)CC[C@@H]1[NH3+] ZINC000885096086 657417989 /nfs/dbraw/zinc/41/79/89/657417989.db2.gz GEUKHFRGBRKMLM-HIFRSBDPSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)CC[C@@H]1[NH3+] ZINC000885102709 657420372 /nfs/dbraw/zinc/42/03/72/657420372.db2.gz ZDXHOWRTJZOLBI-WFASDCNBSA-N 1 0 394.313 1.793 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C[C@@H](C)[NH2+]1 ZINC000885109042 657421624 /nfs/dbraw/zinc/42/16/24/657421624.db2.gz FNHIEYKEMUWSLR-RKDXNWHRSA-N 1 0 378.782 1.579 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000885109445 657421717 /nfs/dbraw/zinc/42/17/17/657421717.db2.gz RBLKQHPWJNGTSC-IUCAKERBSA-N 1 0 378.782 1.566 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CSCC(=O)N1)c1cccc(C(F)(F)F)c1 ZINC000935430327 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20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)n1 ZINC000935981889 657534543 /nfs/dbraw/zinc/53/45/43/657534543.db2.gz AHKWVGXGNQLSBO-NEPJUHHUSA-N 1 0 383.290 1.644 20 0 GDADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000936064847 657548125 /nfs/dbraw/zinc/54/81/25/657548125.db2.gz ZRZVRHPQTZEFCC-CYBMUJFWSA-N 1 0 397.317 1.846 20 0 GDADRO COc1ncc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1Br ZINC000885888691 657584766 /nfs/dbraw/zinc/58/47/66/657584766.db2.gz NVCZEOALCICUBQ-ZDUSSCGKSA-N 1 0 384.274 1.836 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4ncc(Cl)s4)C[C@H]32)CC[N@@H+]1C ZINC000972422514 657591074 /nfs/dbraw/zinc/59/10/74/657591074.db2.gz FDRLOTCBMQMICU-FDYHWXHSSA-N 1 0 382.917 1.810 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)n2)CC1 ZINC000997884450 657642917 /nfs/dbraw/zinc/64/29/17/657642917.db2.gz DBVBUHLFQGKQOY-DYEKYZERSA-N 1 0 382.917 2.000 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 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CN(CC(C)(C)C[NH+](C)C)C(=O)c1c(I)cnn1C ZINC000890881545 658157149 /nfs/dbraw/zinc/15/71/49/658157149.db2.gz YOUHDMINBNPAAH-UHFFFAOYSA-N 1 0 378.258 1.685 20 0 GDADRO O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000891258118 658209734 /nfs/dbraw/zinc/20/97/34/658209734.db2.gz RQXPFMRSDFTMKX-BGOOENEXSA-N 1 0 377.388 1.481 20 0 GDADRO O=C(NCCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1cccc(Br)c1 ZINC000891471118 658242599 /nfs/dbraw/zinc/24/25/99/658242599.db2.gz HEYHSAHSENKLBH-KBPBESRZSA-N 1 0 381.274 1.325 20 0 GDADRO CC[NH+]1CCC(NC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000891547630 658249246 /nfs/dbraw/zinc/24/92/46/658249246.db2.gz FLRCYRHIMWHXIX-ZDUSSCGKSA-N 1 0 396.289 1.491 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891539063 658249432 /nfs/dbraw/zinc/24/94/32/658249432.db2.gz ZDEUWASIOCPFMS-KBPBESRZSA-N 1 0 395.301 1.553 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891538931 658249505 /nfs/dbraw/zinc/24/95/05/658249505.db2.gz XFJREJVESPRSLA-MQMHXKEQSA-N 1 0 397.317 1.834 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000891698322 658266392 /nfs/dbraw/zinc/26/63/92/658266392.db2.gz ZYJBDGOQABEPAB-BTTYYORXSA-N 1 0 386.543 1.165 20 0 GDADRO CC1(C)C[NH2+]CC[C@H](NC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000891925314 658283101 /nfs/dbraw/zinc/28/31/01/658283101.db2.gz VYFHIJUZHLKZOV-ZDUSSCGKSA-N 1 0 385.306 1.688 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000892074891 658294725 /nfs/dbraw/zinc/29/47/25/658294725.db2.gz CCJXKFQDMPLHKE-WMLDXEAASA-N 1 0 375.535 1.647 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)NCc1c(I)cnn1C ZINC000892134317 658298359 /nfs/dbraw/zinc/29/83/59/658298359.db2.gz LUWWRMMMRNCKCT-VIFPVBQESA-N 1 0 379.246 1.341 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000892142132 658299234 /nfs/dbraw/zinc/29/92/34/658299234.db2.gz LPZNANZNVQXPEF-NEPJUHHUSA-N 1 0 383.290 1.539 20 0 GDADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000892180470 658302695 /nfs/dbraw/zinc/30/26/95/658302695.db2.gz NYAGNUBNCYRJMR-ZFWWWQNUSA-N 1 0 392.283 1.363 20 0 GDADRO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892237207 658312551 /nfs/dbraw/zinc/31/25/51/658312551.db2.gz ICVLGMVBIXXKPI-PBHICJAKSA-N 1 0 375.535 1.647 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892357863 658321077 /nfs/dbraw/zinc/32/10/77/658321077.db2.gz IKGFFGVMSOARTI-CYBMUJFWSA-N 1 0 378.274 1.696 20 0 GDADRO Cc1ncc(I)c(N(C)CCCN2CC[NH+](C)CC2)n1 ZINC000892453238 658327581 /nfs/dbraw/zinc/32/75/81/658327581.db2.gz SZNDAOJVGIGCQK-UHFFFAOYSA-N 1 0 389.285 1.463 20 0 GDADRO Cc1ncc(I)c(N2CCC(OCC[NH+](C)C)CC2)n1 ZINC000892479540 658328666 /nfs/dbraw/zinc/32/86/66/658328666.db2.gz GDNVKKSIHDUKCH-UHFFFAOYSA-N 1 0 390.269 1.937 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000892548789 658332694 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CS(=O)(=O)C1CC([NH2+]CCCNC(=O)c2ccc(Br)cc2)C1 ZINC000892816350 658351035 /nfs/dbraw/zinc/35/10/35/658351035.db2.gz SKORBSZYDTWGPL-UHFFFAOYSA-N 1 0 389.315 1.734 20 0 GDADRO CS(=O)(=O)C1CC([NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000892986425 658365271 /nfs/dbraw/zinc/36/52/71/658365271.db2.gz VHARFCDPGFDNIA-UHFFFAOYSA-N 1 0 386.539 1.146 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000893172185 658382446 /nfs/dbraw/zinc/38/24/46/658382446.db2.gz OMFRSRATXQKWRR-AVGNSLFASA-N 1 0 392.315 1.602 20 0 GDADRO C[C@H]1CN(c2ncnc3c2c(Br)nn3C(C)(C)C)CC[N@@H+]1CCO ZINC000893277765 658391969 /nfs/dbraw/zinc/39/19/69/658391969.db2.gz VLZJVQHPVVXRNM-NSHDSACASA-N 1 0 397.321 1.847 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCCC[N@@H+]1CCO[C@@H](C)C1 ZINC000893390211 658400633 /nfs/dbraw/zinc/40/06/33/658400633.db2.gz QHNIRDAREPQTAM-HOTGVXAUSA-N 1 0 376.519 1.235 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2ccc(Br)s2)cn1 ZINC000893553568 658420648 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C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000894230970 658524773 /nfs/dbraw/zinc/52/47/73/658524773.db2.gz KTGHBARXSCIFFI-QWHCGFSZSA-N 1 0 394.946 1.421 20 0 GDADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000894251009 658527920 /nfs/dbraw/zinc/52/79/20/658527920.db2.gz DOEQQRKEYWLASO-QWRGUYRKSA-N 1 0 398.909 1.170 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000894285732 658532914 /nfs/dbraw/zinc/53/29/14/658532914.db2.gz KZZKXUSJQVXIRP-UONOGXRCSA-N 1 0 377.551 1.939 20 0 GDADRO CS(=O)(=O)c1cc(C[NH2+]C2CC(S(C)(=O)=O)C2)cc(C(F)(F)F)c1 ZINC000894286572 658533226 /nfs/dbraw/zinc/53/32/26/658533226.db2.gz DITGNZRBGSRPQG-UHFFFAOYSA-N 1 0 385.429 1.774 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(I)n1 ZINC000894342725 658541123 /nfs/dbraw/zinc/54/11/23/658541123.db2.gz QPWQCQRMFZYGTF-GFCCVEGCSA-N 1 0 391.253 1.843 20 0 GDADRO CC(C)(C)OC(=O)N1CC(C[NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000894358064 658544255 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COc1ccc(C[C@](C)(O)C[NH2+]Cc2nc(Br)nn2C)cc1OC ZINC000894793826 658613826 /nfs/dbraw/zinc/61/38/26/658613826.db2.gz JKODYNAATPHNNN-INIZCTEOSA-N 1 0 399.289 1.678 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000894868810 658628245 /nfs/dbraw/zinc/62/82/45/658628245.db2.gz HXWMONQMQQYRPD-GFCCVEGCSA-N 1 0 389.212 1.857 20 0 GDADRO Cc1[nH+]c2cc(NCc3cn(C)nc3Br)ccc2n1C(CO)CO ZINC000894920221 658635500 /nfs/dbraw/zinc/63/55/00/658635500.db2.gz XKLGJKVENDRKEC-UHFFFAOYSA-N 1 0 394.273 1.979 20 0 GDADRO CC[C@H](C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C(=O)OC ZINC000895120393 658668798 /nfs/dbraw/zinc/66/87/98/658668798.db2.gz OIFNTSBQKZELJI-NEPJUHHUSA-N 1 0 377.894 1.493 20 0 GDADRO COC(=O)CCn1nc(C)c(CNCc2cnc(Br)cn2)c1C ZINC000895409177 658694778 /nfs/dbraw/zinc/69/47/78/658694778.db2.gz WGIXLXXGWNSYFE-UHFFFAOYSA-N 1 0 382.262 1.905 20 0 GDADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895456537 658700718 /nfs/dbraw/zinc/70/07/18/658700718.db2.gz GWKUDMSMBXRMSO-ZYHUDNBSSA-N 1 0 375.878 1.301 20 0 GDADRO COC(=O)[C@@]1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1S(C)(=O)=O ZINC000895509424 658706101 /nfs/dbraw/zinc/70/61/01/658706101.db2.gz TVKGGQFVOCOJQH-GXTWGEPZSA-N 1 0 383.363 1.910 20 0 GDADRO COC(=O)[C@@]1(C[NH2+]Cc2cccc(OC(F)(F)F)c2)C[C@@H]1S(C)(=O)=O ZINC000895509069 658706112 /nfs/dbraw/zinc/70/61/12/658706112.db2.gz OGOUGUMTTQZGJR-GXTWGEPZSA-N 1 0 381.372 1.651 20 0 GDADRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)C[C@@H]1S(C)(=O)=O ZINC000895509595 658706175 /nfs/dbraw/zinc/70/61/75/658706175.db2.gz VSHYUAICRYMRPO-GXTWGEPZSA-N 1 0 383.363 1.910 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000895614139 658715099 /nfs/dbraw/zinc/71/50/99/658715099.db2.gz JNWUUWAETBFTGL-UHFFFAOYSA-N 1 0 375.535 1.882 20 0 GDADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000895772648 658728060 /nfs/dbraw/zinc/72/80/60/658728060.db2.gz TVXYKWSKSVPGPN-OAHLLOKOSA-N 1 0 381.270 1.769 20 0 GDADRO O=C(CNC(=O)C1C[NH+](C2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000895787477 658729408 /nfs/dbraw/zinc/72/94/08/658729408.db2.gz PARHATZOKPKLGV-UHFFFAOYSA-N 1 0 396.285 1.615 20 0 GDADRO O=C(COCCc1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000895990966 658743762 /nfs/dbraw/zinc/74/37/62/658743762.db2.gz MBWKXWGSJZXGPE-IAGOWNOFSA-N 1 0 397.313 1.988 20 0 GDADRO CCO[C@@H](CNc1c(F)cc(S(N)(=O)=O)cc1Br)C[NH+](C)C ZINC000896117495 658751973 /nfs/dbraw/zinc/75/19/73/658751973.db2.gz VMNLDTOEMLAVIX-VIFPVBQESA-N 1 0 398.298 1.614 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000896266455 658763094 /nfs/dbraw/zinc/76/30/94/658763094.db2.gz BPCCUZGNKWQCIC-XHDPSFHLSA-N 1 0 381.270 1.989 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)CCNCc1cnc(CC(F)(F)F)s1 ZINC000896314608 658767222 /nfs/dbraw/zinc/76/72/22/658767222.db2.gz KNMIGPZERVHNBJ-UHFFFAOYSA-N 1 0 379.451 1.395 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000896520426 658783296 /nfs/dbraw/zinc/78/32/96/658783296.db2.gz KKQQHCHROBNCQC-NSHDSACASA-N 1 0 388.253 1.881 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896563555 658790065 /nfs/dbraw/zinc/79/00/65/658790065.db2.gz NAGBSLTXJGINQR-DVOMOZLQSA-N 1 0 384.318 1.967 20 0 GDADRO C[C@H]([NH2+]C[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000896898245 658812775 /nfs/dbraw/zinc/81/27/75/658812775.db2.gz KSONCXIUJSVMOU-ZQIUZPCESA-N 1 0 376.519 1.425 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897440484 658853477 /nfs/dbraw/zinc/85/34/77/658853477.db2.gz WQVRYLVKUGFXQA-YOEHRIQHSA-N 1 0 399.285 1.350 20 0 GDADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897590195 658868231 /nfs/dbraw/zinc/86/82/31/658868231.db2.gz BXHFHGHKBUYQPB-WBVHZDCISA-N 1 0 394.313 1.865 20 0 GDADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)CCOCC1 ZINC000897741902 658885748 /nfs/dbraw/zinc/88/57/48/658885748.db2.gz XFJDGWXSWVGIFE-LBPRGKRZSA-N 1 0 375.512 1.990 20 0 GDADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000897816684 658892083 /nfs/dbraw/zinc/89/20/83/658892083.db2.gz SYOZBHOEWBLJNW-CABCVRRESA-N 1 0 396.285 1.545 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)cs1)C(N)=O ZINC000898100249 658916031 /nfs/dbraw/zinc/91/60/31/658916031.db2.gz AXMSNJOFMXSVGQ-RWMBFGLXSA-N 1 0 384.571 1.887 20 0 GDADRO Cn1cc(I)c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)n1 ZINC000898101422 658916050 /nfs/dbraw/zinc/91/60/50/658916050.db2.gz HSNKBOPNBNFCOX-VHSXEESVSA-N 1 0 376.242 1.483 20 0 GDADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C1(C)C ZINC000898103296 658916086 /nfs/dbraw/zinc/91/60/86/658916086.db2.gz VUDMVMTXIRUPBZ-KWCYVHTRSA-N 1 0 385.555 1.433 20 0 GDADRO O=c1ccn(CCC[NH2+]Cc2ccc(I)s2)c(=O)[nH]1 ZINC000898328565 658926799 /nfs/dbraw/zinc/92/67/99/658926799.db2.gz CJUBCGJMZGQQCF-UHFFFAOYSA-N 1 0 391.234 1.795 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2c[nH]nc2Br)CC1=O ZINC000898473482 658936878 /nfs/dbraw/zinc/93/68/78/658936878.db2.gz ICWUJUPWZLRFQP-WDEREUQCSA-N 1 0 384.278 1.444 20 0 GDADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1cccc(Cl)c1N)CCS2(=O)=O ZINC000898480639 658937191 /nfs/dbraw/zinc/93/71/91/658937191.db2.gz AMWDQSANWCSLAV-UIORMTCPSA-N 1 0 386.901 1.911 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)[C@@H]1SC ZINC000898487084 658937795 /nfs/dbraw/zinc/93/77/95/658937795.db2.gz ILYUEPWEHWSILI-VCAPWORMSA-N 1 0 391.555 1.384 20 0 GDADRO O=C(NCc1cscc1Cl)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000898589359 658941444 /nfs/dbraw/zinc/94/14/44/658941444.db2.gz RXWZJVAJLYKXDZ-UHFFFAOYSA-N 1 0 385.917 1.589 20 0 GDADRO O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC([NH+]2CCCC2)C1 ZINC000898613393 658942468 /nfs/dbraw/zinc/94/24/68/658942468.db2.gz FWENQACQRNHMKI-OAHLLOKOSA-N 1 0 383.539 1.598 20 0 GDADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000898632411 658943084 /nfs/dbraw/zinc/94/30/84/658943084.db2.gz JGQSMIDLIYMWHP-UHFFFAOYSA-N 1 0 384.274 1.923 20 0 GDADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1nn2c(c1Br)CCC2 ZINC000898639563 658943120 /nfs/dbraw/zinc/94/31/20/658943120.db2.gz AWRVGILBOYDPGD-UHFFFAOYSA-N 1 0 397.317 1.965 20 0 GDADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C12CCC2 ZINC000898834198 658961475 /nfs/dbraw/zinc/96/14/75/658961475.db2.gz CNZGTLHDBJZSFK-CHWSQXEVSA-N 1 0 389.880 1.729 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC000898846225 658961629 /nfs/dbraw/zinc/96/16/29/658961629.db2.gz RUQSGYJBDOLSNW-LSDHHAIUSA-N 1 0 385.917 1.851 20 0 GDADRO O=C(C[C@H]1CCCS(=O)(=O)C1)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899047717 658978862 /nfs/dbraw/zinc/97/88/62/658978862.db2.gz SPPYIBCOLIVSFF-LLVKDONJSA-N 1 0 384.889 1.865 20 0 GDADRO COC[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000899181563 658992234 /nfs/dbraw/zinc/99/22/34/658992234.db2.gz GDKSQOZYUNETAM-JKSUJKDBSA-N 1 0 383.286 1.974 20 0 GDADRO C[NH+]1CCC(NCc2cn(Cc3ccc(F)nc3Br)nn2)CC1 ZINC000899745903 659058400 /nfs/dbraw/zinc/05/84/00/659058400.db2.gz SIFNIFDSTIFFPF-UHFFFAOYSA-N 1 0 383.269 1.807 20 0 GDADRO NS(=O)(=O)c1ccc(SCC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000900013042 659083126 /nfs/dbraw/zinc/08/31/26/659083126.db2.gz FWMQDEWSXCGVGU-UHFFFAOYSA-N 1 0 385.555 1.808 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc3ncc(Br)cn3n2)C[C@@H](C)O1 ZINC000900055332 659084797 /nfs/dbraw/zinc/08/47/97/659084797.db2.gz BXIQFMNNHGIYEK-VXGBXAGGSA-N 1 0 396.289 1.721 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000900109519 659086770 /nfs/dbraw/zinc/08/67/70/659086770.db2.gz KTTBTAANMDODHY-UHFFFAOYSA-N 1 0 385.877 1.722 20 0 GDADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000900109614 659086843 /nfs/dbraw/zinc/08/68/43/659086843.db2.gz MQVIKLDMTBGFIT-HNNXBMFYSA-N 1 0 375.878 1.497 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900519243 659118428 /nfs/dbraw/zinc/11/84/28/659118428.db2.gz WVCJVRBNSVAGSC-UHFFFAOYSA-N 1 0 396.289 1.723 20 0 GDADRO Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)C[C@]2(O)CCC[N@@H+](C)C2)s1 ZINC000900524879 659118626 /nfs/dbraw/zinc/11/86/26/659118626.db2.gz LXQPDUBCKJNNMV-MLGOLLRUSA-N 1 0 384.527 1.138 20 0 GDADRO C[NH+]1CCC(NC(=O)Cn2cc(-c3cncc(Br)c3)nn2)CC1 ZINC000900558971 659120973 /nfs/dbraw/zinc/12/09/73/659120973.db2.gz PTHSQAROQKDTAX-UHFFFAOYSA-N 1 0 379.262 1.313 20 0 GDADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000900563511 659121444 /nfs/dbraw/zinc/12/14/44/659121444.db2.gz USQCZBQBIWPYMU-YJBOKZPZSA-N 1 0 396.329 1.991 20 0 GDADRO [NH3+][C@@H](c1cn(C[C@@H]2C[C@H]3COC[C@@H]3O2)nn1)c1ccc(Br)cc1 ZINC000900623462 659127950 /nfs/dbraw/zinc/12/79/50/659127950.db2.gz URNYLBPGKBCOSZ-DLKVLKDVSA-N 1 0 379.258 1.893 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000900645327 659130259 /nfs/dbraw/zinc/13/02/59/659130259.db2.gz RIXRNAKACNEQOC-UHFFFAOYSA-N 1 0 395.305 1.881 20 0 GDADRO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900680581 659135328 /nfs/dbraw/zinc/13/53/28/659135328.db2.gz REELAJVGURMVQY-KBPBESRZSA-N 1 0 379.473 1.384 20 0 GDADRO CCN1CC[NH+](CCCCNC(=O)Cc2c(Br)cnn2C)CC1 ZINC000900689426 659136825 /nfs/dbraw/zinc/13/68/25/659136825.db2.gz PYIVDUHVWGDOAF-UHFFFAOYSA-N 1 0 386.338 1.259 20 0 GDADRO C[C@@H](NC(=O)CCOc1cccc(Br)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000900805478 659147547 /nfs/dbraw/zinc/14/75/47/659147547.db2.gz PRCUSBVKLGZGCF-CJNGLKHVSA-N 1 0 384.318 1.969 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2I)[C@@H](C)C1 ZINC000900816103 659149842 /nfs/dbraw/zinc/14/98/42/659149842.db2.gz BNYTVVVWAAJWAE-GXSJLCMTSA-N 1 0 376.242 1.817 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000901299323 659209025 /nfs/dbraw/zinc/20/90/25/659209025.db2.gz PKHJFTYUVLUNIP-CQSZACIVSA-N 1 0 381.274 1.671 20 0 GDADRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901730388 659231897 /nfs/dbraw/zinc/23/18/97/659231897.db2.gz WJWUSRMFANDTGT-CMPLNLGQSA-N 1 0 395.305 1.928 20 0 GDADRO O=c1oc2cccc(Br)c2n1CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000902642146 659269606 /nfs/dbraw/zinc/26/96/06/659269606.db2.gz FMHWVFGNJRRZDZ-ZIAGYGMSSA-N 1 0 396.285 1.846 20 0 GDADRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903061808 659293477 /nfs/dbraw/zinc/29/34/77/659293477.db2.gz JZWZWPCTIWJACS-JTQLQIEISA-N 1 0 388.433 1.570 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)C2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000903064846 659294078 /nfs/dbraw/zinc/29/40/78/659294078.db2.gz ADRSTCFNZMZTBO-CYBMUJFWSA-N 1 0 375.535 1.836 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903172482 659298535 /nfs/dbraw/zinc/29/85/35/659298535.db2.gz ZDLRSMCJOKLBDD-KGLIPLIRSA-N 1 0 375.535 1.836 20 0 GDADRO Cn1cc(CNC2CC[NH+](CCN3CCOCC3)CC2)c(Br)n1 ZINC000903188491 659299928 /nfs/dbraw/zinc/29/99/28/659299928.db2.gz DXAIPYMSBXVOBL-UHFFFAOYSA-N 1 0 386.338 1.069 20 0 GDADRO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903229861 659307739 /nfs/dbraw/zinc/30/77/39/659307739.db2.gz QPULIEBBDAQNPV-DOTOQJQBSA-N 1 0 387.571 1.544 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903499529 659319522 /nfs/dbraw/zinc/31/95/22/659319522.db2.gz LOYJCFCBEOYXJA-RKDXNWHRSA-N 1 0 398.291 1.725 20 0 GDADRO [NH3+][C@@H]1CCCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903510282 659320925 /nfs/dbraw/zinc/32/09/25/659320925.db2.gz GEFPDNZJRSLJJO-SNVBAGLBSA-N 1 0 377.260 1.431 20 0 GDADRO CC[NH2+]CCCNS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903511432 659321698 /nfs/dbraw/zinc/32/16/98/659321698.db2.gz SQOYJVHGTVVUGA-UHFFFAOYSA-N 1 0 379.276 1.597 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903513746 659322948 /nfs/dbraw/zinc/32/29/48/659322948.db2.gz WOBYUWUOOIFDQM-NSHDSACASA-N 1 0 391.287 1.691 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)c(C2CCCC2)n1 ZINC000903516866 659324354 /nfs/dbraw/zinc/32/43/54/659324354.db2.gz DIDWCDCPDBWBRT-UHFFFAOYSA-N 1 0 381.527 1.740 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903518507 659326234 /nfs/dbraw/zinc/32/62/34/659326234.db2.gz QPQXLWPVNFCVJQ-ZJUUUORDSA-N 1 0 391.287 1.677 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)NCC23CC(C2)C[NH2+]3)c1F ZINC000903524983 659329633 /nfs/dbraw/zinc/32/96/33/659329633.db2.gz INNZEKINGVSOSS-UHFFFAOYSA-N 1 0 379.251 1.627 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000903529634 659330869 /nfs/dbraw/zinc/33/08/69/659330869.db2.gz NQRJNMZVKCWGEI-LBPRGKRZSA-N 1 0 375.441 1.695 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000903533772 659332072 /nfs/dbraw/zinc/33/20/72/659332072.db2.gz IGKZXGOYPSQXGC-MCIONIFRSA-N 1 0 388.917 1.889 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cccc(Br)c1F ZINC000903538218 659333274 /nfs/dbraw/zinc/33/32/74/659333274.db2.gz RXZDYZQIJZHTEL-UHFFFAOYSA-N 1 0 381.267 1.717 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Br)cn1 ZINC000903545370 659335650 /nfs/dbraw/zinc/33/56/50/659335650.db2.gz OJBHNOWVHLZYTB-LBPRGKRZSA-N 1 0 390.303 1.281 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903547267 659336812 /nfs/dbraw/zinc/33/68/12/659336812.db2.gz NIOPVEUKCPHNHA-GHMZBOCLSA-N 1 0 377.304 1.982 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000903550451 659338364 /nfs/dbraw/zinc/33/83/64/659338364.db2.gz GHGRLAUFCDOFJL-JTQLQIEISA-N 1 0 388.291 1.077 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2C[NH2+]CC2(C)C)cc1OC ZINC000903554202 659339496 /nfs/dbraw/zinc/33/94/96/659339496.db2.gz JUDREJILRFHGQU-ZDUSSCGKSA-N 1 0 393.303 1.743 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)s1 ZINC000903560736 659341268 /nfs/dbraw/zinc/34/12/68/659341268.db2.gz NBEFWJPPBRTKJM-IACUBPJLSA-N 1 0 385.555 1.624 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000903563579 659342169 /nfs/dbraw/zinc/34/21/69/659342169.db2.gz ADGJAVYGWHDDOZ-REBRKWNGSA-N 1 0 386.901 1.927 20 0 GDADRO Cc1cc(Br)sc1S(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000903565621 659343013 /nfs/dbraw/zinc/34/30/13/659343013.db2.gz OCWBXRHMPSHRKR-UHFFFAOYSA-N 1 0 382.349 1.520 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)/C=C/c2cccc(Br)c2)CC1 ZINC000903566392 659343448 /nfs/dbraw/zinc/34/34/48/659343448.db2.gz RWEAUTQQTKNOTO-IZZDOVSWSA-N 1 0 388.331 1.762 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C[C@H]1C(F)(F)F ZINC000903569719 659344259 /nfs/dbraw/zinc/34/42/59/659344259.db2.gz JBBLBHBVXSNENC-CHWSQXEVSA-N 1 0 377.388 1.089 20 0 GDADRO COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903572025 659345026 /nfs/dbraw/zinc/34/50/26/659345026.db2.gz CJOVQWHTQCPUCN-MWLCHTKSSA-N 1 0 384.351 1.431 20 0 GDADRO COC(=O)c1c(C)cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903578971 659349811 /nfs/dbraw/zinc/34/98/11/659349811.db2.gz KZAIYVLAPZEUKR-WDEREUQCSA-N 1 0 380.388 1.682 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc3c2OCCCO3)CC[C@@H]1C(F)(F)F ZINC000903579940 659350792 /nfs/dbraw/zinc/35/07/92/659350792.db2.gz RFOVUVIPRWTKLL-WDEREUQCSA-N 1 0 380.388 1.748 20 0 GDADRO COC(=O)c1ccc(F)cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903580370 659351165 /nfs/dbraw/zinc/35/11/65/659351165.db2.gz UIYREPZXVYSKKK-WDEREUQCSA-N 1 0 384.351 1.513 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(I)cc1)C2 ZINC000903582027 659352679 /nfs/dbraw/zinc/35/26/79/659352679.db2.gz QNXTWBFZAXCBGN-DLOVCJGASA-N 1 0 392.262 1.792 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000903589792 659356055 /nfs/dbraw/zinc/35/60/55/659356055.db2.gz YETHAXDQWXCJMY-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000903590982 659356765 /nfs/dbraw/zinc/35/67/65/659356765.db2.gz FJYINBFODRPABM-UHFFFAOYSA-N 1 0 378.878 1.754 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)N1CCC([NH+]2CCC2)CC1)c1ccccc1 ZINC000903649561 659368234 /nfs/dbraw/zinc/36/82/34/659368234.db2.gz UGUSFNVJYXSSDQ-XMMPIXPASA-N 1 0 386.543 1.405 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)C[C@H]1C(F)(F)F ZINC000903777095 659380145 /nfs/dbraw/zinc/38/01/45/659380145.db2.gz RHFNEQTVAGNGQN-HLTSFMKQSA-N 1 0 393.353 1.088 20 0 GDADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000903775834 659380169 /nfs/dbraw/zinc/38/01/69/659380169.db2.gz HCBIKAVFJAHKCX-IAQYHMDHSA-N 1 0 381.464 1.716 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000903785247 659380425 /nfs/dbraw/zinc/38/04/25/659380425.db2.gz IYCADYLRPOJBQR-JTQLQIEISA-N 1 0 378.420 1.721 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)CC[C@@H]1C(F)(F)F ZINC000903787025 659380446 /nfs/dbraw/zinc/38/04/46/659380446.db2.gz HKLVWQJJGQUSIN-DJLDLDEBSA-N 1 0 393.353 1.231 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000903798197 659381112 /nfs/dbraw/zinc/38/11/12/659381112.db2.gz AVPJSBYWSVJZRL-CHHLVHLRSA-N 1 0 393.285 1.457 20 0 GDADRO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000903800608 659381356 /nfs/dbraw/zinc/38/13/56/659381356.db2.gz JHXJKCUDQOQJRY-QLFBSQMISA-N 1 0 393.285 1.470 20 0 GDADRO O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]21 ZINC000903870841 659385886 /nfs/dbraw/zinc/38/58/86/659385886.db2.gz LKQNWAVNWVAJFR-APIJFGDWSA-N 1 0 382.448 1.197 20 0 GDADRO CCOc1cc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc(Cl)c1OC ZINC000903967936 659390202 /nfs/dbraw/zinc/39/02/02/659390202.db2.gz HBFYIZWDDMMQDE-CYBMUJFWSA-N 1 0 376.906 1.614 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000903969304 659390952 /nfs/dbraw/zinc/39/09/52/659390952.db2.gz WIZQAJGMZPHWDN-AWEZNQCLSA-N 1 0 389.315 1.250 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3ccc(Br)cc3)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904081284 659394294 /nfs/dbraw/zinc/39/42/94/659394294.db2.gz SFFMZOUAPNFLTG-WCFLWFBJSA-N 1 0 398.282 1.674 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(I)cc1 ZINC000904273762 659398380 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O=C(c1cccn2c(I)cnc12)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912915558 660059738 /nfs/dbraw/zinc/05/97/38/660059738.db2.gz OEMGJPYKCNNRHC-NSHDSACASA-N 1 0 396.232 1.859 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC12CC[NH+](CC1)C2 ZINC000913625315 660090147 /nfs/dbraw/zinc/09/01/47/660090147.db2.gz JOKZJPHMOUEUIR-OAHLLOKOSA-N 1 0 383.539 1.051 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000913653578 660091002 /nfs/dbraw/zinc/09/10/02/660091002.db2.gz QYTCLNWKSVYDNA-GVDBMIGSSA-N 1 0 378.314 1.697 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000913677060 660091912 /nfs/dbraw/zinc/09/19/12/660091912.db2.gz YUPILTZHPMMYOB-UHFFFAOYSA-N 1 0 381.274 1.626 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913677488 660091918 /nfs/dbraw/zinc/09/19/18/660091918.db2.gz RLCPHKQELNJMKA-UHFFFAOYSA-N 1 0 395.301 1.865 20 0 GDADRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2c(I)cnn2C)C1 ZINC000913781926 660096935 /nfs/dbraw/zinc/09/69/35/660096935.db2.gz FFRYLUGUTIQLIO-LLVKDONJSA-N 1 0 390.269 1.763 20 0 GDADRO CO[C@]1(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCS(=O)(=O)C1 ZINC000914100178 660116319 /nfs/dbraw/zinc/11/63/19/660116319.db2.gz UIKAUBSGVGRZPH-WBVHZDCISA-N 1 0 375.535 1.001 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NCC1(n2cc(Br)cn2)CC1 ZINC000914160602 660122006 /nfs/dbraw/zinc/12/20/06/660122006.db2.gz HGFYKVMFUSNHJG-LBPRGKRZSA-N 1 0 382.306 1.918 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)Cc2ccc(F)cc2Br)C1 ZINC000914372730 660143597 /nfs/dbraw/zinc/14/35/97/660143597.db2.gz WUNSQQSCXPDECK-ZDUSSCGKSA-N 1 0 381.267 1.074 20 0 GDADRO CC[N@H+](CCNS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000914407431 660147320 /nfs/dbraw/zinc/14/73/20/660147320.db2.gz KOPVMYZYZHXMMQ-UHFFFAOYSA-N 1 0 377.551 1.605 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)CCC1 ZINC000914412767 660148206 /nfs/dbraw/zinc/14/82/06/660148206.db2.gz ATUNFTYYTPSQIY-UHFFFAOYSA-N 1 0 375.535 1.359 20 0 GDADRO 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LMCHREDYAMQYSN-IRXDYDNUSA-N 1 0 384.484 1.845 20 0 GDADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164936266 721889492 /nfs/dbraw/zinc/88/94/92/721889492.db2.gz YYLMTPMKFADTKP-MCIONIFRSA-N 1 0 381.908 1.621 20 0 GDADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)C[C@@H]21 ZINC001164942898 721951686 /nfs/dbraw/zinc/95/16/86/721951686.db2.gz GIBQBVFCJUOCFP-PMACEKPBSA-N 1 0 398.511 1.638 20 0 GDADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(-n4ccnc4)cc[nH+]3)C[C@@H]21 ZINC001164946595 721960763 /nfs/dbraw/zinc/96/07/63/721960763.db2.gz OBDAZGCCNPDPMP-OALUTQOASA-N 1 0 380.452 1.962 20 0 GDADRO Cc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C(N)=O ZINC001164971871 722112286 /nfs/dbraw/zinc/11/22/86/722112286.db2.gz CYIFIIYOQVHNCM-QZTJIDSGSA-N 1 0 381.480 1.611 20 0 GDADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ncc5c(n4)CCCN5)CC[C@H]3C2)c1 ZINC001164973961 722117270 /nfs/dbraw/zinc/11/72/70/722117270.db2.gz IEMVINNMTBBBOR-PXNSSMCTSA-N 1 0 380.496 1.957 20 0 GDADRO 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20 0 GDADRO Cc1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)c1 ZINC001571272039 945654512 /nfs/dbraw/zinc/65/45/12/945654512.db2.gz NKMHCTIAFKCMRM-JSGCOSHPSA-N 1 0 386.485 1.212 20 0 GDADRO CCn1nccc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272343 945660455 /nfs/dbraw/zinc/66/04/55/945660455.db2.gz SEGXPCSMQSCJHG-NSHDSACASA-N 1 0 386.485 1.395 20 0 GDADRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3OC)C[C@@H]21 ZINC001571279540 945782536 /nfs/dbraw/zinc/78/25/36/945782536.db2.gz RNIPYDKAWCUGDW-JKIFEVAISA-N 1 0 387.440 1.385 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCCO[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001571281189 945799874 /nfs/dbraw/zinc/79/98/74/945799874.db2.gz FBCUXRHUIATGKL-CQSZACIVSA-N 1 0 387.469 1.277 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281854 945818244 /nfs/dbraw/zinc/81/82/44/945818244.db2.gz AXYYGYVCTSGPIF-GJZGRUSLSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1C[NH2+]CC1CCOCC1 ZINC001571282000 945823385 /nfs/dbraw/zinc/82/33/85/945823385.db2.gz QWKHPDVWRCJRPJ-ZFWWWQNUSA-N 1 0 387.488 1.309 20 0 GDADRO CCc1ncoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281973 945824034 /nfs/dbraw/zinc/82/40/34/945824034.db2.gz QIXMCFWSCHMXQQ-XYPYZODXSA-N 1 0 387.469 1.777 20 0 GDADRO Cc1cc(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)on1 ZINC001571281994 945824174 /nfs/dbraw/zinc/82/41/74/945824174.db2.gz QVAIEJSXXWPWRZ-JQWIXIFHSA-N 1 0 387.469 1.723 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@H](C)C2)on1 ZINC001571281996 945825132 /nfs/dbraw/zinc/82/51/32/945825132.db2.gz QVAIEJSXXWPWRZ-ZYHUDNBSSA-N 1 0 387.469 1.723 20 0 GDADRO CC(=O)N1CCOC2(CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001573451040 945831053 /nfs/dbraw/zinc/83/10/53/945831053.db2.gz PTOQOLCXHAAHMU-UHFFFAOYSA-N 1 0 376.486 1.578 20 0 GDADRO 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CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C1 ZINC001571298850 946229546 /nfs/dbraw/zinc/22/95/46/946229546.db2.gz FHKLSRCYZYFUOJ-QWHCGFSZSA-N 1 0 390.517 1.153 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)COC1CCCC1 ZINC001571299869 946264229 /nfs/dbraw/zinc/26/42/29/946264229.db2.gz PZBCABSCENYPIW-CHWSQXEVSA-N 1 0 390.513 1.966 20 0 GDADRO O=C(CC[C@@H]1CCCO1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299912 946267093 /nfs/dbraw/zinc/26/70/93/946267093.db2.gz QVJYJGMUGJAODH-KGLIPLIRSA-N 1 0 390.513 1.968 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571300099 946270989 /nfs/dbraw/zinc/27/09/89/946270989.db2.gz UUCOMDPUFHHJNO-YUELXQCFSA-N 1 0 390.513 1.824 20 0 GDADRO Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571300208 946273958 /nfs/dbraw/zinc/27/39/58/946273958.db2.gz WXCGSJKFZKPHCZ-RTXFEEFZSA-N 1 0 390.517 1.057 20 0 GDADRO Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1-c1nn[nH]n1 ZINC001571300325 946281555 /nfs/dbraw/zinc/28/15/55/946281555.db2.gz ZSSRBLCOIBJJBP-FVCCEPFGSA-N 1 0 390.517 1.279 20 0 GDADRO O=C(c1ncc(F)cc1F)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571301941 946287443 /nfs/dbraw/zinc/28/74/43/946287443.db2.gz INZNUAJUSRAVGZ-JTQLQIEISA-N 1 0 391.407 1.606 20 0 GDADRO C[C@@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571302053 946289504 /nfs/dbraw/zinc/28/95/04/946289504.db2.gz MSUHWTGYHOACFA-WXHSDQCUSA-N 1 0 391.426 1.884 20 0 GDADRO CCOc1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)c1 ZINC001571304127 946358550 /nfs/dbraw/zinc/35/85/50/946358550.db2.gz YLVPQNPMQKOWNX-VQFNDLOPSA-N 1 0 391.435 1.525 20 0 GDADRO Cc1ccc(CCC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1 ZINC001571306707 946407706 /nfs/dbraw/zinc/40/77/06/946407706.db2.gz NHRZIGIICUEJDQ-MNZLEMJZSA-N 1 0 391.479 1.796 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3(F)F)C2)cc1-c1nn[nH]n1 ZINC001571307589 946425236 /nfs/dbraw/zinc/42/52/36/946425236.db2.gz FTGXVPJJIHWILO-OBJOEFQTSA-N 1 0 392.410 1.515 20 0 GDADRO c1ccc(N2CCOCC2)c(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823787266 946481221 /nfs/dbraw/zinc/48/12/21/946481221.db2.gz JVCGRRMULBHOSN-UHFFFAOYSA-N 1 0 380.452 1.872 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCc1nc3ccccc3s1)C2 ZINC000823802509 946483823 /nfs/dbraw/zinc/48/38/23/946483823.db2.gz QZHLUOJJBYFUAX-LLVKDONJSA-N 1 0 381.469 1.547 20 0 GDADRO CCc1ncncc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571312756 946501358 /nfs/dbraw/zinc/50/13/58/946501358.db2.gz CPZWLLFRDWTPHP-ZDUSSCGKSA-N 1 0 392.467 1.469 20 0 GDADRO CCc1cccc(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001571313741 946529785 /nfs/dbraw/zinc/52/97/85/946529785.db2.gz VFLRQHHQZXEPAT-HNNXBMFYSA-N 1 0 392.467 1.666 20 0 GDADRO CC(=O)NCC1CC[NH+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823994341 946534897 /nfs/dbraw/zinc/53/48/97/946534897.db2.gz FXZNZLLJMFSOBT-UHFFFAOYSA-N 1 0 394.483 1.615 20 0 GDADRO Cc1cc(C)nc(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571314755 946544864 /nfs/dbraw/zinc/54/48/64/946544864.db2.gz CEJGLYLBTRPOGV-HNNXBMFYSA-N 1 0 392.467 1.933 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)Cc3cccnc3C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316167 946569230 /nfs/dbraw/zinc/56/92/30/946569230.db2.gz VJJMATJGJHPEHW-KZULUSFZSA-N 1 0 392.467 1.197 20 0 GDADRO Cc1cncc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cc(-c4nn[nH]n4)c[nH]2)C3)c1 ZINC001571316454 946577901 /nfs/dbraw/zinc/57/79/01/946577901.db2.gz CWEVMGRECJLTPC-JQFCIGGWSA-N 1 0 392.467 1.681 20 0 GDADRO O=C(NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2)c1ccn[nH]1 ZINC001571316437 946577983 /nfs/dbraw/zinc/57/79/83/946577983.db2.gz CNFFHMGKHKIZBZ-YLJYHZDGSA-N 1 0 392.467 1.764 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C23CCC3)n1 ZINC001571316550 946579199 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C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824974730 947014793 /nfs/dbraw/zinc/01/47/93/947014793.db2.gz DZBMSMXRUSTAFF-YWZLYKJASA-N 1 0 381.528 1.903 20 0 GDADRO C[C@H]1CN(CC[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824984669 947021804 /nfs/dbraw/zinc/02/18/04/947021804.db2.gz LZDUYOSXSPTKJM-INIZCTEOSA-N 1 0 385.516 1.141 20 0 GDADRO C[C@H](CNc1ncccc1-c1nn[nH]n1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573585395 947256210 /nfs/dbraw/zinc/25/62/10/947256210.db2.gz FMMXCHDSXIFMEJ-HUUCEWRRSA-N 1 0 386.504 1.785 20 0 GDADRO C=C/C(C)=C/CC(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573316041 947266950 /nfs/dbraw/zinc/26/69/50/947266950.db2.gz FOCBGTLFCGFGKN-WQPBDQAGSA-N 1 0 383.456 1.154 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc2cc[nH]c2n1 ZINC000825865789 947350433 /nfs/dbraw/zinc/35/04/33/947350433.db2.gz LBIROTBCLMTMNJ-UHFFFAOYSA-N 1 0 390.451 1.947 20 0 GDADRO C[C@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573593128 947360839 /nfs/dbraw/zinc/36/08/39/947360839.db2.gz IOVSXZANNFKKCT-NVPAJSRCSA-N 1 0 380.456 1.403 20 0 GDADRO C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573593124 947363211 /nfs/dbraw/zinc/36/32/11/947363211.db2.gz IOVSXZANNFKKCT-IGEOTXOUSA-N 1 0 380.456 1.403 20 0 GDADRO C[N@H+](C[C@@H]1CC=CCC1)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000825909154 947368405 /nfs/dbraw/zinc/36/84/05/947368405.db2.gz SGGCBFLDRYGFEO-VLIAUNLRSA-N 1 0 395.467 1.879 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000826017187 947404110 /nfs/dbraw/zinc/40/41/10/947404110.db2.gz IDSVECNVKJUECL-UHFFFAOYSA-N 1 0 383.456 1.354 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826133124 947446279 /nfs/dbraw/zinc/44/62/79/947446279.db2.gz JYTLUEHLFOYAMS-SJCJKPOMSA-N 1 0 392.485 1.968 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826134151 947446480 /nfs/dbraw/zinc/44/64/80/947446480.db2.gz STSVGIUIJONLMF-HNAYVOBHSA-N 1 0 386.456 1.194 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC001573599304 947455650 /nfs/dbraw/zinc/45/56/50/947455650.db2.gz XGUDBWTXZLGXFG-RKDXNWHRSA-N 1 0 392.407 1.036 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC001573599457 947458269 /nfs/dbraw/zinc/45/82/69/947458269.db2.gz YGDMJFDASVKICI-OCCSQVGLSA-N 1 0 392.529 1.663 20 0 GDADRO COCCn1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826163922 947514368 /nfs/dbraw/zinc/51/43/68/947514368.db2.gz QYFMMVWEPFAMRK-UHFFFAOYSA-N 1 0 393.455 1.400 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)c1cccnc1 ZINC001573604787 947517353 /nfs/dbraw/zinc/51/73/53/947517353.db2.gz VMTYIEHRPKHDEQ-OAHLLOKOSA-N 1 0 379.468 1.956 20 0 GDADRO CC(C(=O)N1C[C@H](C)[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)=C1CCC1 ZINC001573607534 947549954 /nfs/dbraw/zinc/54/99/54/947549954.db2.gz OKNMQMJDHKYWQQ-BLLLJJGKSA-N 1 0 381.484 1.999 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573613441 947562352 /nfs/dbraw/zinc/56/23/52/947562352.db2.gz AHNHBUSGPCLNBS-OIISXLGYSA-N 1 0 392.467 1.500 20 0 GDADRO C[C@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573615919 947613251 /nfs/dbraw/zinc/61/32/51/947613251.db2.gz GPNHOKKXZXCNIV-LLVKDONJSA-N 1 0 379.415 1.625 20 0 GDADRO COc1ccccc1N1CC[C@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826220266 947651453 /nfs/dbraw/zinc/65/14/53/947651453.db2.gz ICMSIDIEDBNWMZ-HNNXBMFYSA-N 1 0 390.451 1.892 20 0 GDADRO CSC[C@H](CCO)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826228674 947670268 /nfs/dbraw/zinc/67/02/68/947670268.db2.gz XBNAQDKSZUIKOI-KRWDZBQOSA-N 1 0 376.530 1.535 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573628263 947749985 /nfs/dbraw/zinc/74/99/85/947749985.db2.gz JXDFDYAJAQHVCQ-HOCLYGCPSA-N 1 0 380.456 1.405 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573368019 947766860 /nfs/dbraw/zinc/76/68/60/947766860.db2.gz KWRZEJRVXBQENB-HXUWFJFHSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573368351 947769071 /nfs/dbraw/zinc/76/90/71/947769071.db2.gz NIEFEJINZOSRNB-RDJZCZTQSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C ZINC001573369859 947778956 /nfs/dbraw/zinc/77/89/56/947778956.db2.gz YMHFRBWJSUBDGX-DGCLKSJQSA-N 1 0 376.486 1.767 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573373317 947790865 /nfs/dbraw/zinc/79/08/65/947790865.db2.gz HTIYOALAOJJYKH-OAHLLOKOSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC001573373771 947798884 /nfs/dbraw/zinc/79/88/84/947798884.db2.gz LJOOZSKGJKTQIR-KSSFIOAISA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2C1 ZINC001573376677 947840436 /nfs/dbraw/zinc/84/04/36/947840436.db2.gz BHCCXPDXZSXLIX-OKILXGFUSA-N 1 0 388.497 1.578 20 0 GDADRO CC(=O)CCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573377094 947847124 /nfs/dbraw/zinc/84/71/24/947847124.db2.gz HZTXSBQRPBWBQP-CHWSQXEVSA-N 1 0 376.436 1.748 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C1CC1 ZINC001573642368 947860983 /nfs/dbraw/zinc/86/09/83/947860983.db2.gz PZOHTTQXCJYYET-DOMZBBRYSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccc1 ZINC001573645847 947872365 /nfs/dbraw/zinc/87/23/65/947872365.db2.gz BVHFFDDXDJPCTP-AYOQOUSVSA-N 1 0 391.479 1.962 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C1)C1CC1 ZINC001573647171 947886367 /nfs/dbraw/zinc/88/63/67/947886367.db2.gz DLDBIOKLOYFOSZ-WQVCFCJDSA-N 1 0 384.459 1.942 20 0 GDADRO Cc1ccnc(N2CC[N@H+](C[C@@H](O)c3ccccc3)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826311245 947900670 /nfs/dbraw/zinc/90/06/70/947900670.db2.gz YHRQRCRJHXUUEC-DOTOQJQBSA-N 1 0 379.468 1.814 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573648374 947907196 /nfs/dbraw/zinc/90/71/96/947907196.db2.gz YYYPTEIERTZEIW-JKIFEVAISA-N 1 0 380.456 1.261 20 0 GDADRO Cc1onc(CC(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1-c1nn[nH]n1 ZINC000826346426 948040264 /nfs/dbraw/zinc/04/02/64/948040264.db2.gz LYYHEBMMKSACPR-UHFFFAOYSA-N 1 0 387.488 1.867 20 0 GDADRO C[C@@H](C(=O)N[C@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001573663743 948041299 /nfs/dbraw/zinc/04/12/99/948041299.db2.gz PGPLUCRJLXYGIU-JLTOFOAXSA-N 1 0 384.484 1.356 20 0 GDADRO Cn1cc(CN2CC[NH+](CC(C)(C)O)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361220 948129736 /nfs/dbraw/zinc/12/97/36/948129736.db2.gz PWCLLXUGBMPIPE-UHFFFAOYSA-N 1 0 396.499 1.156 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573677114 948132877 /nfs/dbraw/zinc/13/28/77/948132877.db2.gz VWGSKHXQXLROMY-ZBFHGGJFSA-N 1 0 384.488 1.221 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1ncccc1-c1nn[nH]n1 ZINC001573678840 948157542 /nfs/dbraw/zinc/15/75/42/948157542.db2.gz JFEAWNMDEGLWOG-CABCVRRESA-N 1 0 386.504 1.467 20 0 GDADRO NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826390162 948198614 /nfs/dbraw/zinc/19/86/14/948198614.db2.gz RJCJTWUUZCOPBX-AEFFLSMTSA-N 1 0 383.500 1.465 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cccs1 ZINC001573681590 948208646 /nfs/dbraw/zinc/20/86/46/948208646.db2.gz WPHPIIPOTHICEA-OCCSQVGLSA-N 1 0 386.481 1.299 20 0 GDADRO CC(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)(c2ccccc2)CC1 ZINC001573434419 948211935 /nfs/dbraw/zinc/21/19/35/948211935.db2.gz RCNGRJQCWZHUSB-UHFFFAOYSA-N 1 0 377.452 1.676 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC001573690251 948223475 /nfs/dbraw/zinc/22/34/75/948223475.db2.gz BWRIUVONASPEAV-IUODEOHRSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)n1cccc1 ZINC001573691748 948246582 /nfs/dbraw/zinc/24/65/82/948246582.db2.gz IOPDWFZOMVVYTD-CYBMUJFWSA-N 1 0 383.431 1.807 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CCCC1 ZINC001573691822 948247565 /nfs/dbraw/zinc/24/75/65/948247565.db2.gz KBKPOGXYTUKKFV-LRDDRELGSA-N 1 0 390.463 1.399 20 0 GDADRO CC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CC1 ZINC001573440119 948261289 /nfs/dbraw/zinc/26/12/89/948261289.db2.gz ZUNCBVGWNDDKFG-HNNXBMFYSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)[C@H]1CCCO1 ZINC001573692649 948269067 /nfs/dbraw/zinc/26/90/67/948269067.db2.gz RMVIVPYGIYPUCM-XJKSGUPXSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)[C@@H]1CCCO1 ZINC001573692645 948269395 /nfs/dbraw/zinc/26/93/95/948269395.db2.gz RMVIVPYGIYPUCM-BBRMVZONSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573695516 948305599 /nfs/dbraw/zinc/30/55/99/948305599.db2.gz GNWUWVOCWVKPPF-HPUBIQBYSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C ZINC001573695904 948311292 /nfs/dbraw/zinc/31/12/92/948311292.db2.gz YSLJJEUAGXPIPC-BXUZGUMPSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)C(C)(F)F ZINC001573696378 948324212 /nfs/dbraw/zinc/32/42/12/948324212.db2.gz PBQNHWMPQOTOBY-WFFHOREQSA-N 1 0 377.399 1.351 20 0 GDADRO OCC1(C[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOCC1 ZINC000826508627 948429159 /nfs/dbraw/zinc/42/91/59/948429159.db2.gz WMFFXGCWRXRZIG-UHFFFAOYSA-N 1 0 386.500 1.210 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573708975 948464266 /nfs/dbraw/zinc/46/42/66/948464266.db2.gz YNESHIGUNFLSFR-DOTOQJQBSA-N 1 0 379.468 1.868 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185631772 948493065 /nfs/dbraw/zinc/49/30/65/948493065.db2.gz MXVGNTKSTUFANB-HNNXBMFYSA-N 1 0 376.486 1.410 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)n1cccc1 ZINC001573728598 948560658 /nfs/dbraw/zinc/56/06/58/948560658.db2.gz QBWRJLCKVJJYQF-RBSFLKMASA-N 1 0 380.456 1.513 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCCO1 ZINC001573729680 948569395 /nfs/dbraw/zinc/56/93/95/948569395.db2.gz IUKDWIDRTYRWNW-UWIFEVILSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1cnn(C)c1 ZINC001573732424 948603474 /nfs/dbraw/zinc/60/34/74/948603474.db2.gz OYSODIBVSYOTBI-NWDGAFQWSA-N 1 0 386.435 1.137 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@H]1CCCO1 ZINC001573746442 948681178 /nfs/dbraw/zinc/68/11/78/948681178.db2.gz JZWUXWQSKCNGRV-FIUQPQMISA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573747470 948691749 /nfs/dbraw/zinc/69/17/49/948691749.db2.gz PFTNOCRGXBHXJW-ZVZYQTTQSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)C(F)(F)F ZINC001573751787 948705060 /nfs/dbraw/zinc/70/50/60/948705060.db2.gz CVHMRKVNJMFZFX-QQUHWDOBSA-N 1 0 380.374 1.612 20 0 GDADRO CC(F)(F)C1(C(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001575222805 948760361 /nfs/dbraw/zinc/76/03/61/948760361.db2.gz KQNNPTHEMOUEMW-UHFFFAOYSA-N 1 0 377.399 1.782 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574916633 948782781 /nfs/dbraw/zinc/78/27/81/948782781.db2.gz GGPBOJUWYVYMEG-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574916727 948785795 /nfs/dbraw/zinc/78/57/95/948785795.db2.gz IIDRLCWWLFUUGR-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)c1cccc(C[N@H+](C)[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574420557 948802429 /nfs/dbraw/zinc/80/24/29/948802429.db2.gz YLWOVFWZRBUNRX-ZDUSSCGKSA-N 1 0 382.472 1.964 20 0 GDADRO C[C@H](CNC(=O)CCc1ncccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920362 948899918 /nfs/dbraw/zinc/89/99/18/948899918.db2.gz JKCBWDPQLSSMRZ-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)c1ncc(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)s1 ZINC001574427970 948917356 /nfs/dbraw/zinc/91/73/56/948917356.db2.gz WDFUNTCMDZVRPW-UHFFFAOYSA-N 1 0 384.469 1.638 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574921208 948918919 /nfs/dbraw/zinc/91/89/19/948918919.db2.gz VFQKOMBOLVTLQE-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)[C@H]1C[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001574089237 948948254 /nfs/dbraw/zinc/94/82/54/948948254.db2.gz FAQYEYQXUHKQKO-CRAIPNDOSA-N 1 0 386.500 1.866 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574433803 948963371 /nfs/dbraw/zinc/96/33/71/948963371.db2.gz QXMZKXGMWXMRTC-UHFFFAOYSA-N 1 0 382.472 1.585 20 0 GDADRO C[C@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574925532 948973711 /nfs/dbraw/zinc/97/37/11/948973711.db2.gz AVHWEBJGKRKQSO-SNVBAGLBSA-N 1 0 378.868 1.316 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[nH]n2)CC1 ZINC001574689511 948985813 /nfs/dbraw/zinc/98/58/13/948985813.db2.gz HPCIVRLFXXPZDT-CYBMUJFWSA-N 1 0 387.492 1.084 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(F)(F)F ZINC001573774117 948999205 /nfs/dbraw/zinc/99/92/05/948999205.db2.gz QOBLZISVRCXJQP-GFCCVEGCSA-N 1 0 386.378 1.022 20 0 GDADRO C[C@@H](CNC(=O)CN(C)c1ccccc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574926470 949003776 /nfs/dbraw/zinc/00/37/76/949003776.db2.gz RKUXYRKYEAJJRT-HNNXBMFYSA-N 1 0 379.468 1.597 20 0 GDADRO C[C@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926440 949004252 /nfs/dbraw/zinc/00/42/52/949004252.db2.gz QIZSWIISDHKIQD-CYBMUJFWSA-N 1 0 389.479 1.427 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)C1CCC1 ZINC001573779881 949078331 /nfs/dbraw/zinc/07/83/31/949078331.db2.gz OPNVAGBVGRUHOY-MKZZRHPPSA-N 1 0 381.484 1.886 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574931387 949117725 /nfs/dbraw/zinc/11/77/25/949117725.db2.gz OWBZXPOTLWZENY-GFCCVEGCSA-N 1 0 376.436 1.559 20 0 GDADRO C[C@H](NC(=O)[C@H](C)n1cccn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251231 949132769 /nfs/dbraw/zinc/13/27/69/949132769.db2.gz MLIVKNOGZFXZQL-RYUDHWBXSA-N 1 0 386.485 1.322 20 0 GDADRO CC(C)c1ocnc1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574447491 949162972 /nfs/dbraw/zinc/16/29/72/949162972.db2.gz PXEXMEBNQXVSOF-CQSZACIVSA-N 1 0 382.428 1.416 20 0 GDADRO CC(C)c1ocnc1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574447632 949165412 /nfs/dbraw/zinc/16/54/12/949165412.db2.gz VKENUJNDXMVQMS-UHFFFAOYSA-N 1 0 382.428 1.772 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001574698191 949178386 /nfs/dbraw/zinc/17/83/86/949178386.db2.gz HCDDGIBDWJHPPB-CABCVRRESA-N 1 0 386.504 1.785 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)n1cccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574698502 949193805 /nfs/dbraw/zinc/19/38/05/949193805.db2.gz LTFYGNBDAYRBRX-OLZOCXBDSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@@H](CNC(=O)COc1ccsc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574935115 949197078 /nfs/dbraw/zinc/19/70/78/949197078.db2.gz ZIUOILIQJDKASE-NSHDSACASA-N 1 0 390.444 1.741 20 0 GDADRO C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001575516282 949201465 /nfs/dbraw/zinc/20/14/65/949201465.db2.gz OFXDOAYGGRDUSK-OSMBCOQSSA-N 1 0 377.452 1.864 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574937743 949231652 /nfs/dbraw/zinc/23/16/52/949231652.db2.gz QGPFLFDXELPVDI-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574699433 949239251 /nfs/dbraw/zinc/23/92/51/949239251.db2.gz UWBWXFJNHPGVJL-NEPJUHHUSA-N 1 0 388.501 1.402 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573792376 949249916 /nfs/dbraw/zinc/24/99/16/949249916.db2.gz PKEITTHGFPBLIK-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@H](CN(C)C(=O)C1(c2cccnc2)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574701465 949259592 /nfs/dbraw/zinc/25/95/92/949259592.db2.gz APWHEUUCNGLVNF-OAHLLOKOSA-N 1 0 391.479 1.930 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573792745 949265305 /nfs/dbraw/zinc/26/53/05/949265305.db2.gz UVYWTPIRJIGSRR-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@@H](NC(=O)C1=CCOCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575257541 949273566 /nfs/dbraw/zinc/27/35/66/949273566.db2.gz AFTUQQYARONOMH-GFCCVEGCSA-N 1 0 386.431 1.289 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(C(F)F)CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574702076 949275524 /nfs/dbraw/zinc/27/55/24/949275524.db2.gz GDSSMQQRIOLCQC-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574940920 949281988 /nfs/dbraw/zinc/28/19/88/949281988.db2.gz MNBPGPTXTCLPDE-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C)cn1 ZINC001574454779 949288536 /nfs/dbraw/zinc/28/85/36/949288536.db2.gz DHSCKPAPRFYHGB-ZIAGYGMSSA-N 1 0 395.471 1.541 20 0 GDADRO CC(C)CC(=O)N1CCC[C@@H]([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574109064 949313866 /nfs/dbraw/zinc/31/38/66/949313866.db2.gz VSFKMVJDDUEBJG-CQSZACIVSA-N 1 0 392.529 1.760 20 0 GDADRO CC(C)n1ccc(CC(=O)NC[C@H](C)N(C)c2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001574941856 949323633 /nfs/dbraw/zinc/32/36/33/949323633.db2.gz HODIYWWUDLNWGA-ZDUSSCGKSA-N 1 0 383.460 1.223 20 0 GDADRO CC1=C(C)C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575862144 949341335 /nfs/dbraw/zinc/34/13/35/949341335.db2.gz XZZKSIYDJLBWPI-ZWKOTPCHSA-N 1 0 384.484 1.570 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)n1 ZINC001574458824 949346714 /nfs/dbraw/zinc/34/67/14/949346714.db2.gz ZDPZKQUPAPOIHW-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccc(F)c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574942366 949349473 /nfs/dbraw/zinc/34/94/73/949349473.db2.gz ZFUKWIYZOKVHLV-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C1Cc2ccccc2C1 ZINC001575262834 949384136 /nfs/dbraw/zinc/38/41/36/949384136.db2.gz CMCKMOYFHBEGED-OLZOCXBDSA-N 1 0 377.452 1.404 20 0 GDADRO CC(C)n1cccc1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574463834 949389306 /nfs/dbraw/zinc/38/93/06/949389306.db2.gz CALYWZFEXCUHLP-HDJSIYSDSA-N 1 0 380.456 1.687 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575263355 949393242 /nfs/dbraw/zinc/39/32/42/949393242.db2.gz GHCCZYMGEWJDLU-VXGBXAGGSA-N 1 0 376.486 1.291 20 0 GDADRO CC(C)n1cccc1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574464221 949402372 /nfs/dbraw/zinc/40/23/72/949402372.db2.gz GFVWWIQGHXXBQH-MRXNPFEDSA-N 1 0 380.456 1.687 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574705634 949434481 /nfs/dbraw/zinc/43/44/81/949434481.db2.gz JLEZUSPVHHUHHO-DTWKUNHWSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@@H](CNC(=O)Cn1cc(Cl)cn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574947493 949446925 /nfs/dbraw/zinc/44/69/25/949446925.db2.gz BOZJCOJOMBYWEC-JTQLQIEISA-N 1 0 392.826 1.150 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001575265556 949454587 /nfs/dbraw/zinc/45/45/87/949454587.db2.gz USQHFSMQBUPJBQ-ZIAGYGMSSA-N 1 0 386.504 1.687 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574469855 949484487 /nfs/dbraw/zinc/48/44/87/949484487.db2.gz IRAPJVQFEBLESW-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574708034 949485254 /nfs/dbraw/zinc/48/52/54/949485254.db2.gz SDRAQHSVNYNMIL-CHWSQXEVSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H]1CCCC[C@@]1(CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccn[nH]1 ZINC001576158456 949495987 /nfs/dbraw/zinc/49/59/87/949495987.db2.gz SUJDAVLFPCQDGQ-XIKOKIGWSA-N 1 0 381.444 1.198 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCc2cccnc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574709407 949509545 /nfs/dbraw/zinc/50/95/45/949509545.db2.gz ZGTMSVTXHMJJLN-HIFRSBDPSA-N 1 0 392.467 1.458 20 0 GDADRO C[C@H](NC(=O)C[C@H]1CCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268951 949534176 /nfs/dbraw/zinc/53/41/76/949534176.db2.gz PZHUBZHDRAMKDI-NWDGAFQWSA-N 1 0 376.486 1.291 20 0 GDADRO CC1(C(=O)N2CCC[C@@](CO)([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CC1 ZINC001575538919 949535904 /nfs/dbraw/zinc/53/59/04/949535904.db2.gz KZTQCJLFQGGEHH-LJQANCHMSA-N 1 0 388.447 1.249 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001574711725 949553297 /nfs/dbraw/zinc/55/32/97/949553297.db2.gz KVFSXJOQXHCTNK-CYBMUJFWSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576165400 949569229 /nfs/dbraw/zinc/56/92/29/949569229.db2.gz JZBWGZBSKIOFTE-CJNGLKHVSA-N 1 0 375.477 1.452 20 0 GDADRO CC1(C(=O)N2CCC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575540840 949572128 /nfs/dbraw/zinc/57/21/28/949572128.db2.gz ZKSIYUWYUMNGSX-AWEZNQCLSA-N 1 0 385.472 1.151 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CCCOC1 ZINC001573810773 949576043 /nfs/dbraw/zinc/57/60/43/949576043.db2.gz CFOVEYWAGCRPEL-SJORKVTESA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cocn1 ZINC001573810663 949576607 /nfs/dbraw/zinc/57/66/07/949576607.db2.gz BQRCAFVXDBRHKN-CYBMUJFWSA-N 1 0 375.458 1.851 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]CCC1CCOCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573810829 949582083 /nfs/dbraw/zinc/58/20/83/949582083.db2.gz DNFRDJDJYIUYND-MRXNPFEDSA-N 1 0 389.504 1.746 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ccon1 ZINC001573811037 949584776 /nfs/dbraw/zinc/58/47/76/949584776.db2.gz HAWRCSBECCGXDV-CYBMUJFWSA-N 1 0 375.458 1.851 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1CCOCC1 ZINC001573811300 949595312 /nfs/dbraw/zinc/59/53/12/949595312.db2.gz JOQGEQKIUZBGHN-HNNXBMFYSA-N 1 0 392.529 1.975 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574957001 949595250 /nfs/dbraw/zinc/59/52/50/949595250.db2.gz PKRSMKMFASDYRM-DJLDLDEBSA-N 1 0 384.897 1.233 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCOC1 ZINC001573811619 949604016 /nfs/dbraw/zinc/60/40/16/949604016.db2.gz MKYLTCQOLHTLHT-HOCLYGCPSA-N 1 0 390.463 1.663 20 0 GDADRO 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CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1ncc[nH]1 ZINC001573813500 949633089 /nfs/dbraw/zinc/63/30/89/949633089.db2.gz YZZMUUQAQZJOOF-OAHLLOKOSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ccncc1-c1nn[nH]n1 ZINC001575875917 949635718 /nfs/dbraw/zinc/63/57/18/949635718.db2.gz WLTUWYAFXBNWAZ-BBRMVZONSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@H](NC(=O)CC[C@H]1CCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575272141 949639031 /nfs/dbraw/zinc/63/90/31/949639031.db2.gz NZACREYEJFVWDB-ZBFHGGJFSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001575272398 949646394 /nfs/dbraw/zinc/64/63/94/949646394.db2.gz QDENUEUWSDGTOQ-ZIAGYGMSSA-N 1 0 387.492 1.228 20 0 GDADRO CC1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCC1 ZINC001575548120 949659879 /nfs/dbraw/zinc/65/98/79/949659879.db2.gz QLPDVOKGHSTZJB-HNNXBMFYSA-N 1 0 388.447 1.513 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCOC1 ZINC001573817767 949708001 /nfs/dbraw/zinc/70/80/01/949708001.db2.gz AVNIAQZIZZNLDK-XJKSGUPXSA-N 1 0 387.488 1.443 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573818010 949714169 /nfs/dbraw/zinc/71/41/69/949714169.db2.gz DTDGAKJVNLKYRL-KXBFYZLASA-N 1 0 387.488 1.178 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccccc1O ZINC001573818517 949736058 /nfs/dbraw/zinc/73/60/58/949736058.db2.gz NAHSZEKTMQUQKT-INIZCTEOSA-N 1 0 381.440 1.646 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H](C)c1ccncc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574717727 949744518 /nfs/dbraw/zinc/74/45/18/949744518.db2.gz WULKISDYRWEJGR-ZIAGYGMSSA-N 1 0 380.456 1.531 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001575559601 949758687 /nfs/dbraw/zinc/75/86/87/949758687.db2.gz WSNVVGCDBSWKBC-KSSFIOAISA-N 1 0 392.529 1.975 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574964603 949781441 /nfs/dbraw/zinc/78/14/41/949781441.db2.gz YSBSRYOLTCUMRP-SRVKXCTJSA-N 1 0 392.895 1.562 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ccncn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574720498 949790424 /nfs/dbraw/zinc/79/04/24/949790424.db2.gz AVCXJQSABFSUJM-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H](NC(=O)COC1CCCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575280884 949791508 /nfs/dbraw/zinc/79/15/08/949791508.db2.gz BEVYSXGDUYNTHO-CQSZACIVSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574720567 949793683 /nfs/dbraw/zinc/79/36/83/949793683.db2.gz CRUONCRFOXMVLA-ZDUSSCGKSA-N 1 0 390.467 1.536 20 0 GDADRO CC(C)C[C@H](C)C[NH+]1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001574138973 949799640 /nfs/dbraw/zinc/79/96/40/949799640.db2.gz GTOJHKYCTSCZOC-HNNXBMFYSA-N 1 0 388.520 1.224 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1cccnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574720822 949806630 /nfs/dbraw/zinc/80/66/30/949806630.db2.gz HSOCKYJIWAZNSA-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575883543 949817175 /nfs/dbraw/zinc/81/71/75/949817175.db2.gz RIVFAICKRDXDNC-DYVFJYSZSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC[N@@H+]1CCC1CCOCC1 ZINC001575883836 949828501 /nfs/dbraw/zinc/82/85/01/949828501.db2.gz SPCPFECGMYSCHW-BBRMVZONSA-N 1 0 387.488 1.594 20 0 GDADRO C[C@@]1(C(=O)NC2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575563177 949837325 /nfs/dbraw/zinc/83/73/25/949837325.db2.gz JNBHPSLXRVYATL-SVGDTCPJSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575283148 949858702 /nfs/dbraw/zinc/85/87/02/949858702.db2.gz NVDRFSVEWURHOS-GHMZBOCLSA-N 1 0 387.394 1.510 20 0 GDADRO C[C@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575283315 949867052 /nfs/dbraw/zinc/86/70/52/949867052.db2.gz OGSIWIIVLZJMOF-ZFWWWQNUSA-N 1 0 385.472 1.409 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575564775 949871503 /nfs/dbraw/zinc/87/15/03/949871503.db2.gz SJUHCPIVAKOHTC-OXJNMPFZSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)C[C@H](C)C[NH2+]CC1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001574143467 949895665 /nfs/dbraw/zinc/89/56/65/949895665.db2.gz HWUYRLMQCPQMNJ-AWEZNQCLSA-N 1 0 389.504 1.434 20 0 GDADRO C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575284269 949903268 /nfs/dbraw/zinc/90/32/68/949903268.db2.gz TVMWLBPYZJZWGC-UONOGXRCSA-N 1 0 387.488 1.798 20 0 GDADRO C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575284532 949907316 /nfs/dbraw/zinc/90/73/16/949907316.db2.gz JFZGMCQQWFXRLG-HOCLYGCPSA-N 1 0 384.488 1.079 20 0 GDADRO CC(C)C[C@@H](C)C[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001574144245 949907475 /nfs/dbraw/zinc/90/74/75/949907475.db2.gz MIQYNMQACRKFRM-CQSZACIVSA-N 1 0 389.504 1.434 20 0 GDADRO C[C@@H](NC(=O)CCn1cccn1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575284929 949927096 /nfs/dbraw/zinc/92/70/96/949927096.db2.gz KRZRBFRTENIHAW-CQSZACIVSA-N 1 0 380.456 1.090 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1C[NH2+]Cc1ccccn1 ZINC001576180479 949954285 /nfs/dbraw/zinc/95/42/85/949954285.db2.gz ILEVLROWKYQTHM-GUYCJALGSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C2CC2)CCCOC1 ZINC001575571781 949958993 /nfs/dbraw/zinc/95/89/93/949958993.db2.gz AGOWTXLRLYKZML-FXAWDEMLSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CCCOC1 ZINC001575573247 949988832 /nfs/dbraw/zinc/98/88/32/949988832.db2.gz KYGFVSIRUBMDKB-XLIONFOSSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](NC(=O)Cc1cccc(F)c1F)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575289614 950002009 /nfs/dbraw/zinc/00/20/09/950002009.db2.gz AKDIONQXRPGKDM-GHMZBOCLSA-N 1 0 387.394 1.510 20 0 GDADRO C[C@H](CC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)C1CC1 ZINC001574491169 950023940 /nfs/dbraw/zinc/02/39/40/950023940.db2.gz AKPMXBVKGWRNCJ-CYBMUJFWSA-N 1 0 385.472 1.197 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1c[nH]cn1 ZINC001574150289 950025170 /nfs/dbraw/zinc/02/51/70/950025170.db2.gz AZDCPEYFSQMJPJ-CYBMUJFWSA-N 1 0 388.501 1.515 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574491178 950025578 /nfs/dbraw/zinc/02/55/78/950025578.db2.gz ANRPWNIVJLLMFF-GOEBONIOSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574491275 950028269 /nfs/dbraw/zinc/02/82/69/950028269.db2.gz BSIFGLFWDPUHEX-HOCLYGCPSA-N 1 0 380.456 1.405 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@]1(F)CCOC1 ZINC001574150605 950029124 /nfs/dbraw/zinc/02/91/24/950029124.db2.gz CHIMQIKPHXOMOV-APWZRJJASA-N 1 0 390.463 1.616 20 0 GDADRO C[C@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)CCC2)CCOC1 ZINC001575575078 950041916 /nfs/dbraw/zinc/04/19/16/950041916.db2.gz DIWNXKNISXXIOW-SFHVURJKSA-N 1 0 388.447 1.561 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H](O)C(C)C ZINC001574151039 950050753 /nfs/dbraw/zinc/05/07/53/950050753.db2.gz JXKCHHKDONYYNL-WMLDXEAASA-N 1 0 392.479 1.643 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CCOc1ccccc1F ZINC001574976187 950061404 /nfs/dbraw/zinc/06/14/04/950061404.db2.gz NJAPKUOGCWOJJH-GFCCVEGCSA-N 1 0 387.419 1.463 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@]1(C)CCOC1 ZINC001574151331 950069568 /nfs/dbraw/zinc/06/95/68/950069568.db2.gz PJNGQSOSDCXHHO-PXNSSMCTSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1cscn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574732887 950082307 /nfs/dbraw/zinc/08/23/07/950082307.db2.gz LULULJQVQPAHRH-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574733973 950123944 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PZMGAMMDVOTACU-IAQYHMDHSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccccn1 ZINC001575907814 950346000 /nfs/dbraw/zinc/34/60/00/950346000.db2.gz RELTUUUZDQKSBW-HNAYVOBHSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2nccn2C(F)F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908196 950356413 /nfs/dbraw/zinc/35/64/13/950356413.db2.gz AWNSOBFPCLSYKX-MWLCHTKSSA-N 1 0 391.386 1.179 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001576196440 950358547 /nfs/dbraw/zinc/35/85/47/950358547.db2.gz DQFDCKCRWBDCJS-TZMCWYRMSA-N 1 0 388.451 1.146 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cnn(C)c1 ZINC001575908332 950365109 /nfs/dbraw/zinc/36/51/09/950365109.db2.gz USFAHFKNNJHOQN-BDJLRTHQSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccccc1N(C)C ZINC001574745030 950371084 /nfs/dbraw/zinc/37/10/84/950371084.db2.gz FHVNTXIEECWBAD-ZDUSSCGKSA-N 1 0 382.472 1.511 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOC1 ZINC001575596610 950380751 /nfs/dbraw/zinc/38/07/51/950380751.db2.gz GUWJETOCMNFZNC-VPWXQRGCSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](Nc3ncc(-c4nn[nH]n4)cc3Cl)C2)C1 ZINC001576198067 950404105 /nfs/dbraw/zinc/40/41/05/950404105.db2.gz RPYYXCHSYFAEQM-AAEUAGOBSA-N 1 0 390.879 1.270 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001576198074 950406249 /nfs/dbraw/zinc/40/62/49/950406249.db2.gz RRFJTYMZYXQHTQ-GOEBONIOSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575909891 950409662 /nfs/dbraw/zinc/40/96/62/950409662.db2.gz IUTKENXDJWIILX-BBRMVZONSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575910440 950415789 /nfs/dbraw/zinc/41/57/89/950415789.db2.gz LBKCYLBNRCIDHT-BBRMVZONSA-N 1 0 384.488 1.395 20 0 GDADRO 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C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCn1cccn1 ZINC001575911216 950436372 /nfs/dbraw/zinc/43/63/72/950436372.db2.gz NTOIKQSXLMOXTO-PBHICJAKSA-N 1 0 380.456 1.233 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C(C)(C)C)C1 ZINC001576203235 950438543 /nfs/dbraw/zinc/43/85/43/950438543.db2.gz FMFZPQMFOCGZEL-CJNGLKHVSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576204318 950458887 /nfs/dbraw/zinc/45/88/87/950458887.db2.gz NVNCJGBQXAAGOF-VXGBXAGGSA-N 1 0 392.895 1.564 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccc(F)cc1F ZINC001574993587 950462655 /nfs/dbraw/zinc/46/26/55/950462655.db2.gz LIMULOLFVOFZLO-VHSXEESVSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575605508 950468209 /nfs/dbraw/zinc/46/82/09/950468209.db2.gz JNBHPSLXRVYATL-PJIJBLCYSA-N 1 0 385.472 1.340 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C2CC2)CC1 ZINC001576204704 950474154 /nfs/dbraw/zinc/47/41/54/950474154.db2.gz ARIXJVCUUDGGFZ-MRXNPFEDSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575913128 950476990 /nfs/dbraw/zinc/47/69/90/950476990.db2.gz ISMMJHQOALBBHR-HOCLYGCPSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H](CC(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cccn1 ZINC001574508665 950482253 /nfs/dbraw/zinc/48/22/53/950482253.db2.gz LMQPNZDGHQOCBN-CYBMUJFWSA-N 1 0 386.435 1.402 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc[nH]c(=O)c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574752391 950482762 /nfs/dbraw/zinc/48/27/62/950482762.db2.gz WIGFGIHBPTXOBD-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(F)c2F)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575913763 950483447 /nfs/dbraw/zinc/48/34/47/950483447.db2.gz TTWUZICZPJNCLE-ZWNOBZJWSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cnc(Cl)s2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575914622 950495043 /nfs/dbraw/zinc/49/50/43/950495043.db2.gz VGIVWUUJWMOIMN-KCJUWKMLSA-N 1 0 392.876 1.698 20 0 GDADRO C[C@H](C[C@@H](C)Nc1ncccc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205167 950496011 /nfs/dbraw/zinc/49/60/11/950496011.db2.gz VVZNYADXXQJYQT-HUUCEWRRSA-N 1 0 386.504 1.689 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574995282 950500902 /nfs/dbraw/zinc/50/09/02/950500902.db2.gz DCBXRBWHLLZMGF-VIFPVBQESA-N 1 0 392.345 1.328 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573866413 950502771 /nfs/dbraw/zinc/50/27/71/950502771.db2.gz BEVBCEYHUJNMJN-UHFFFAOYSA-N 1 0 378.502 1.824 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573866513 950505674 /nfs/dbraw/zinc/50/56/74/950505674.db2.gz FPJCXVHXWFIATM-AWEZNQCLSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575915398 950513831 /nfs/dbraw/zinc/51/38/31/950513831.db2.gz WYSJZFXBEXTJLB-HOCLYGCPSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@@H]1[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575915391 950515872 /nfs/dbraw/zinc/51/58/72/950515872.db2.gz WYSJZFXBEXTJLB-GDBMZVCRSA-N 1 0 384.488 1.539 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@H]2CCN2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001576205569 950522202 /nfs/dbraw/zinc/52/22/02/950522202.db2.gz KANGEBJFXRLJTN-QGZVFWFLSA-N 1 0 383.500 1.289 20 0 GDADRO C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001576205674 950534542 /nfs/dbraw/zinc/53/45/42/950534542.db2.gz MIQIZFIJQKLYLE-VXGBXAGGSA-N 1 0 392.895 1.564 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001573868496 950541278 /nfs/dbraw/zinc/54/12/78/950541278.db2.gz CPCVHZFJUYBZMS-DLBZAZTESA-N 1 0 384.484 1.715 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753797 950543547 /nfs/dbraw/zinc/54/35/47/950543547.db2.gz SMCLHPPNZSSCNV-LBPRGKRZSA-N 1 0 378.440 1.529 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)on1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574998795 950558920 /nfs/dbraw/zinc/55/89/20/950558920.db2.gz AAKWHTKEMZCCHO-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)on1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574999519 950584513 /nfs/dbraw/zinc/58/45/13/950584513.db2.gz LEFWRRSUCRIRAZ-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576207126 950586398 /nfs/dbraw/zinc/58/63/98/950586398.db2.gz CQOBEBVMNZRGNJ-SGMGOOAPSA-N 1 0 388.451 1.049 20 0 GDADRO CC(C)CCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574173042 950586614 /nfs/dbraw/zinc/58/66/14/950586614.db2.gz DTYZQCPRMUNTCL-MRXNPFEDSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574999796 950587407 /nfs/dbraw/zinc/58/74/07/950587407.db2.gz NWIKYBUWTXSIGT-SNVBAGLBSA-N 1 0 391.838 1.906 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCc1cccnc1 ZINC001575921362 950637698 /nfs/dbraw/zinc/63/76/98/950637698.db2.gz NNBBVUCFSVCNKW-YOEHRIQHSA-N 1 0 392.467 1.503 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001576213654 950642945 /nfs/dbraw/zinc/64/29/45/950642945.db2.gz FWTXDWXHPKESCB-KKUMJFAQSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575001988 950649316 /nfs/dbraw/zinc/64/93/16/950649316.db2.gz YAFKLXKONMJGQL-JTQLQIEISA-N 1 0 384.419 1.514 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575002014 950649732 /nfs/dbraw/zinc/64/97/32/950649732.db2.gz YKDRHKPOABXUOI-VIFPVBQESA-N 1 0 376.371 1.436 20 0 GDADRO CC(C)CCC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574176622 950680102 /nfs/dbraw/zinc/68/01/02/950680102.db2.gz XGSUJXWQNCVEKL-FQEVSTJZSA-N 1 0 386.500 1.746 20 0 GDADRO CC(C)CCC(=O)N[C@]1(CO)CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574176623 950681134 /nfs/dbraw/zinc/68/11/34/950681134.db2.gz XGSUJXWQNCVEKL-HXUWFJFHSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575925726 950691764 /nfs/dbraw/zinc/69/17/64/950691764.db2.gz IEBRBFSXJAGHJO-BONVTDFDSA-N 1 0 385.378 1.677 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576215268 950692696 /nfs/dbraw/zinc/69/26/96/950692696.db2.gz DYBCQCWKJQOYQN-ABAIWWIYSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H]1CN(C(=O)C(F)F)C[C@@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)O1 ZINC001576215372 950696445 /nfs/dbraw/zinc/69/64/45/950696445.db2.gz ARKDTVGWFPYJAW-XIKOKIGWSA-N 1 0 392.410 1.324 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCc1ccccn1 ZINC001575926607 950719385 /nfs/dbraw/zinc/71/93/85/950719385.db2.gz XVMYSKBKRJJNJN-WMLDXEAASA-N 1 0 392.467 1.503 20 0 GDADRO C[C@H](CNC(=O)c1cc2n(n1)CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575006256 950721330 /nfs/dbraw/zinc/72/13/30/950721330.db2.gz UFYCMRIPVRQPFA-CYBMUJFWSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnn(CCF)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574763656 950726366 /nfs/dbraw/zinc/72/63/66/950726366.db2.gz HIQAHVDGYORVMP-ZDUSSCGKSA-N 1 0 386.435 1.283 20 0 GDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)n1C ZINC001576216465 950735438 /nfs/dbraw/zinc/73/54/38/950735438.db2.gz ZRRALMNHPDVWTA-ZBFHGGJFSA-N 1 0 379.468 1.846 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(N(C)C)cc1 ZINC001575927112 950737159 /nfs/dbraw/zinc/73/71/59/950737159.db2.gz NMJUUAZXKPROCD-GUYCJALGSA-N 1 0 392.467 1.465 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576216608 950741576 /nfs/dbraw/zinc/74/15/76/950741576.db2.gz DYQAVWQXTNCENK-ONGXEEELSA-N 1 0 382.440 1.910 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccn2nccc12 ZINC001575927769 950756319 /nfs/dbraw/zinc/75/63/19/950756319.db2.gz UCNJCLSLHPOFLD-DOMZBBRYSA-N 1 0 389.423 1.046 20 0 GDADRO C[C@H](CN(C)C(=O)c1nccs1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574765103 950772632 /nfs/dbraw/zinc/77/26/32/950772632.db2.gz DXFKXSKMTNCXNU-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CC(C)(C)O)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574522200 950792715 /nfs/dbraw/zinc/79/27/15/950792715.db2.gz JJOZWXWOBPCDGK-NEPJUHHUSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cn1cccn1 ZINC001574522208 950793253 /nfs/dbraw/zinc/79/32/53/950793253.db2.gz JLNXAISSYWDXRD-CHWSQXEVSA-N 1 0 386.435 1.275 20 0 GDADRO CC1(C)CC(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001575632322 950795308 /nfs/dbraw/zinc/79/53/08/950795308.db2.gz HNCURTKSYVKTJC-SJORKVTESA-N 1 0 384.484 1.354 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCc1cn[nH]c1 ZINC001574522795 950796404 /nfs/dbraw/zinc/79/64/04/950796404.db2.gz LAFOFHVVVCUQSL-KBPBESRZSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1ccn(C)n1 ZINC001574523109 950808053 /nfs/dbraw/zinc/80/80/53/950808053.db2.gz MAPSRRFHCCZUHY-UONOGXRCSA-N 1 0 382.472 1.216 20 0 GDADRO CC(C)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574186505 950814823 /nfs/dbraw/zinc/81/48/23/950814823.db2.gz FLXDHHMNDKMAJW-WMLDXEAASA-N 1 0 387.488 1.538 20 0 GDADRO C[C@@H](CN(C)C(=O)c1n[nH]cc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574766820 950829481 /nfs/dbraw/zinc/82/94/81/950829481.db2.gz MSNHWWIXWZQVEV-VIFPVBQESA-N 1 0 376.371 1.118 20 0 GDADRO CC(C)OCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574524175 950850589 /nfs/dbraw/zinc/85/05/89/950850589.db2.gz UIXBQIUVEADVRJ-QWHCGFSZSA-N 1 0 378.452 1.804 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576222205 950868280 /nfs/dbraw/zinc/86/82/80/950868280.db2.gz XURGPGLJPNSDAG-JOYOIKCWSA-N 1 0 381.362 1.285 20 0 GDADRO C[C@H](CN(C)C(=O)c1csc(=O)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574768553 950891037 /nfs/dbraw/zinc/89/10/37/950891037.db2.gz ZCWVDWIZIBTNPM-SECBINFHSA-N 1 0 391.432 1.418 20 0 GDADRO CC1(C)C[C@@H](NC(=O)c2ccn[nH]2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575640963 950907341 /nfs/dbraw/zinc/90/73/41/950907341.db2.gz MAPCWGKKVVSXHQ-LBPRGKRZSA-N 1 0 381.444 1.410 20 0 GDADRO C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1ccc(-c2nn[nH]n2)nc1 ZINC001576227897 950923707 /nfs/dbraw/zinc/92/37/07/950923707.db2.gz FJLQGYZTIGXLRS-DZGCQCFKSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccn(C)n1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574528700 950938196 /nfs/dbraw/zinc/93/81/96/950938196.db2.gz OBZFEKCXXACGCB-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574772057 950957666 /nfs/dbraw/zinc/95/76/66/950957666.db2.gz PBUNPYOLSVNKLH-WOSRLPQWSA-N 1 0 389.479 1.283 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1nn(C)cc1Cl)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574529850 950960271 /nfs/dbraw/zinc/96/02/71/950960271.db2.gz AQODNUJPBCGPKR-VHSXEESVSA-N 1 0 391.867 1.268 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC1(O)CCC1 ZINC001574772441 950970338 /nfs/dbraw/zinc/97/03/38/950970338.db2.gz SRQYSTANUDWJIK-LBPRGKRZSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cncnc1 ZINC001574530038 950971680 /nfs/dbraw/zinc/97/16/80/950971680.db2.gz SPJGDIZPZROUBZ-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[N@H+](C)CCc1ccc(F)c(F)c1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574773308 950987284 /nfs/dbraw/zinc/98/72/84/950987284.db2.gz XANRYUJFSFURQF-NSHDSACASA-N 1 0 389.410 1.766 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1(C(F)F)CC1 ZINC001574774467 950999940 /nfs/dbraw/zinc/99/99/40/950999940.db2.gz CTFIKMDXQPWYBD-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001575018974 951028914 /nfs/dbraw/zinc/02/89/14/951028914.db2.gz RXUBEBREJQBSJF-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024492 951103436 /nfs/dbraw/zinc/10/34/36/951103436.db2.gz FPWFZFWZGSIECA-CQSZACIVSA-N 1 0 391.479 1.767 20 0 GDADRO CC(C)c1cccc(C(=O)NC[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001575026699 951145572 /nfs/dbraw/zinc/14/55/72/951145572.db2.gz MCMIMNZPYZVLPI-ZDUSSCGKSA-N 1 0 380.456 1.680 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1CCOC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575029645 951188768 /nfs/dbraw/zinc/18/87/68/951188768.db2.gz WOBXRPIUNLYJDO-AWEZNQCLSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575035849 951284536 /nfs/dbraw/zinc/28/45/36/951284536.db2.gz MVKOVJHTQIATPF-LBPRGKRZSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575044620 951416409 /nfs/dbraw/zinc/41/64/09/951416409.db2.gz SRSZRHYPMYGBSX-LLVKDONJSA-N 1 0 384.419 1.057 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C2CCC2)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575052098 951459971 /nfs/dbraw/zinc/45/99/71/951459971.db2.gz DBOVCDSWHSPMDK-LLVKDONJSA-N 1 0 386.485 1.758 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@H](C)[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001575052483 951467275 /nfs/dbraw/zinc/46/72/75/951467275.db2.gz KBLARRZXDXSLAG-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CCF)c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575054264 951491758 /nfs/dbraw/zinc/49/17/58/951491758.db2.gz HIBLBPLDMZVODK-ZDUSSCGKSA-N 1 0 386.435 1.283 20 0 GDADRO C[C@H](CNC(=O)c1cnn2c1CCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575055465 951506183 /nfs/dbraw/zinc/50/61/83/951506183.db2.gz VAVRKYDDURPWES-LLVKDONJSA-N 1 0 384.419 1.057 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575055489 951507699 /nfs/dbraw/zinc/50/76/99/951507699.db2.gz VPBBKPCSHRNIML-LLVKDONJSA-N 1 0 390.398 1.080 20 0 GDADRO C[C@H](CNC(=O)c1nc(Cl)cs1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575060854 951550611 /nfs/dbraw/zinc/55/06/11/951550611.db2.gz IGICCXLAJHBWPA-SECBINFHSA-N 1 0 377.861 1.885 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575062126 951566565 /nfs/dbraw/zinc/56/65/65/951566565.db2.gz UFXZYSXOWYZYQF-GFCCVEGCSA-N 1 0 380.456 1.377 20 0 GDADRO CC(C)Oc1cccnc1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067999 951628206 /nfs/dbraw/zinc/62/82/06/951628206.db2.gz UUHKRPKCVDLPEB-LBPRGKRZSA-N 1 0 382.428 1.096 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)n1cccn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077233 951664407 /nfs/dbraw/zinc/66/44/07/951664407.db2.gz AYPNWAKBGJHEQJ-STQMWFEESA-N 1 0 386.435 1.305 20 0 GDADRO C[C@H](CNC(=O)c1cc[nH]c(=O)c1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077610 951672330 /nfs/dbraw/zinc/67/23/30/951672330.db2.gz HBTNIGKTTYBGTF-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078153 951677124 /nfs/dbraw/zinc/67/71/24/951677124.db2.gz JJNHBLTZNYGMEJ-UONOGXRCSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575081696 951725170 /nfs/dbraw/zinc/72/51/70/951725170.db2.gz RNIDKRIYVRIRHM-PREXVCJDSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC1OCCCO1 ZINC001575081853 951727810 /nfs/dbraw/zinc/72/78/10/951727810.db2.gz SNIJDROMLIQHIC-LBPRGKRZSA-N 1 0 392.435 1.095 20 0 GDADRO C[C@@H](CNC(=O)c1nccs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089551 951751126 /nfs/dbraw/zinc/75/11/26/951751126.db2.gz GNOPPUWRHICECG-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CC1CCOCC1 ZINC001575090551 951761092 /nfs/dbraw/zinc/76/10/92/951761092.db2.gz KKNVGEVOBJVLEG-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575090965 951767202 /nfs/dbraw/zinc/76/72/02/951767202.db2.gz ONYABIQGPBCCEU-XJKSGUPXSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)C1(c2cccnc2)CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091590 951778516 /nfs/dbraw/zinc/77/85/16/951778516.db2.gz SJNZWPPEWGUWOK-OAHLLOKOSA-N 1 0 391.479 1.835 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575091954 951786886 /nfs/dbraw/zinc/78/68/86/951786886.db2.gz ZPZBABBZQDCOJT-SFHVURJKSA-N 1 0 390.513 1.729 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092540 951794177 /nfs/dbraw/zinc/79/41/77/951794177.db2.gz DJCOZFYPZOPBGD-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1c(F)cncc1F ZINC001575093033 951797059 /nfs/dbraw/zinc/79/70/59/951797059.db2.gz HGXGBHHAOXELCK-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1coc(C2CC2)n1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096145 951820227 /nfs/dbraw/zinc/82/02/27/951820227.db2.gz ZMXJVRUZFLJYQX-LBPRGKRZSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001575099007 951828207 /nfs/dbraw/zinc/82/82/07/951828207.db2.gz HBFNPSSDBJQNIT-CHWSQXEVSA-N 1 0 388.501 1.618 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575099178 951830048 /nfs/dbraw/zinc/83/00/48/951830048.db2.gz IJBLNIKATNLULC-STQMWFEESA-N 1 0 378.502 1.824 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccnn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099287 951832593 /nfs/dbraw/zinc/83/25/93/951832593.db2.gz JQNSLCFQWIKZGN-GFCCVEGCSA-N 1 0 388.501 1.136 20 0 GDADRO C[C@@H](CNC(=O)CC[C@@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099775 951839728 /nfs/dbraw/zinc/83/97/28/951839728.db2.gz OKRGQMHRAWYLKJ-OLZOCXBDSA-N 1 0 378.502 1.729 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099857 951840184 /nfs/dbraw/zinc/84/01/84/951840184.db2.gz PLCNIKAPJPXRQC-GFCCVEGCSA-N 1 0 386.485 1.193 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575101054 951852046 /nfs/dbraw/zinc/85/20/46/951852046.db2.gz YJPPYVMFVCHQNJ-TWJWRFFLSA-N 1 0 390.513 1.585 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575102690 951869703 /nfs/dbraw/zinc/86/97/03/951869703.db2.gz OLPRCKNLDMCUOK-NSHDSACASA-N 1 0 385.497 1.995 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)n1cccc1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102431 951870922 /nfs/dbraw/zinc/87/09/22/951870922.db2.gz NGIFFRDEEGJZGF-UONOGXRCSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCCCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103285 951873562 /nfs/dbraw/zinc/87/35/62/951873562.db2.gz SEOSBIUFEHGDBN-ZFWWWQNUSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575104198 951884610 /nfs/dbraw/zinc/88/46/10/951884610.db2.gz XZHLWESVVYXOIA-LLVKDONJSA-N 1 0 392.464 1.345 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575104887 951890046 /nfs/dbraw/zinc/89/00/46/951890046.db2.gz GBPLZUUMCRSQLC-CYBMUJFWSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1ccccn1)C1CC1 ZINC001575105406 951894377 /nfs/dbraw/zinc/89/43/77/951894377.db2.gz IZLGGVFMCILIOF-FQEVSTJZSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCc2cccnc21)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106200 951903130 /nfs/dbraw/zinc/90/31/30/951903130.db2.gz QUQIDSNCOOKCIX-RDTXWAMCSA-N 1 0 391.479 1.834 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107032 951910774 /nfs/dbraw/zinc/91/07/74/951910774.db2.gz XPCUASMHFCMTCZ-CQSZACIVSA-N 1 0 380.456 1.131 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1ccc2cccnn21 ZINC001575107619 951919047 /nfs/dbraw/zinc/91/90/47/951919047.db2.gz GOJRQVJHKRIZOW-CQSZACIVSA-N 1 0 390.451 1.765 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113423 951941307 /nfs/dbraw/zinc/94/13/07/951941307.db2.gz BFMBNXJBULZPPN-HNNXBMFYSA-N 1 0 380.452 1.788 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnn(C)c1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113816 951946543 /nfs/dbraw/zinc/94/65/43/951946543.db2.gz GOURLZRZDMJVHM-CQSZACIVSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1OCC2)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114010 951950790 /nfs/dbraw/zinc/95/07/90/951950790.db2.gz KFGFZVWNCHFYRT-CQSZACIVSA-N 1 0 392.463 1.957 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575114754 951958972 /nfs/dbraw/zinc/95/89/72/951958972.db2.gz SESVDRZLPHPHBP-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccnn1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114784 951960338 /nfs/dbraw/zinc/96/03/38/951960338.db2.gz SYMPPORBMJLGLV-CQSZACIVSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001575115773 951966385 /nfs/dbraw/zinc/96/63/85/951966385.db2.gz YSVSPXXLAJQQJC-HXUWFJFHSA-N 1 0 379.468 1.812 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cnc(Cl)s1 ZINC001575116549 951972398 /nfs/dbraw/zinc/97/23/98/951972398.db2.gz DTAZTFZPNSCCCO-QMMMGPOBSA-N 1 0 380.865 1.460 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1csc(Cl)n1 ZINC001575119286 951988095 /nfs/dbraw/zinc/98/80/95/951988095.db2.gz WMHNULSZNDHDGF-QMMMGPOBSA-N 1 0 380.865 1.460 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1csc(Cl)n1 ZINC001575119598 951989274 /nfs/dbraw/zinc/98/92/74/951989274.db2.gz YHSAKKVOXXPHOX-QMMMGPOBSA-N 1 0 380.865 1.460 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001575131746 952087783 /nfs/dbraw/zinc/08/77/83/952087783.db2.gz AYBJHMABCNLMSX-HIFRSBDPSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575135773 952121225 /nfs/dbraw/zinc/12/12/25/952121225.db2.gz NNVGWVFPUSODBA-STQMWFEESA-N 1 0 375.452 1.606 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575143930 952158972 /nfs/dbraw/zinc/15/89/72/952158972.db2.gz DTCQOQFWXLLLJO-AUUYWEPGSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575144822 952172816 /nfs/dbraw/zinc/17/28/16/952172816.db2.gz MKQMOXAIABDEQB-SNVBAGLBSA-N 1 0 383.378 1.675 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575146642 952195901 /nfs/dbraw/zinc/19/59/01/952195901.db2.gz MPWHJOVFCPDSAN-SWLSCSKDSA-N 1 0 379.424 1.119 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575146808 952196669 /nfs/dbraw/zinc/19/66/69/952196669.db2.gz NXRYLHCXSKFCIR-GFCCVEGCSA-N 1 0 378.440 1.529 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001575164987 952303071 /nfs/dbraw/zinc/30/30/71/952303071.db2.gz PYSSCKMGJWPJIH-LBPRGKRZSA-N 1 0 390.467 1.392 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001575165978 952317598 /nfs/dbraw/zinc/31/75/98/952317598.db2.gz XUJJOFXIIFCLKX-NSHDSACASA-N 1 0 376.440 1.001 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575197658 952487201 /nfs/dbraw/zinc/48/72/01/952487201.db2.gz YNBMFTHZBGNHAW-CQSZACIVSA-N 1 0 380.452 1.887 20 0 GDADRO O=C(c1ccns1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119457 952491103 /nfs/dbraw/zinc/49/11/03/952491103.db2.gz BCPGDOWEZZHFAK-SNVBAGLBSA-N 1 0 375.483 1.779 20 0 GDADRO C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571119505 952492538 /nfs/dbraw/zinc/49/25/38/952492538.db2.gz CHESQBGGGWSKLD-NHYWBVRUSA-N 1 0 376.411 1.849 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)s1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001571119527 952492751 /nfs/dbraw/zinc/49/27/51/952492751.db2.gz 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HPOZZUZLFBROLH-UHFFFAOYSA-N 1 0 382.403 1.147 20 0 GDADRO C[C@H]1CN(C(=O)c2cnccn2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571196364 952981118 /nfs/dbraw/zinc/98/11/18/952981118.db2.gz JMEUEONWDAQXTB-MEDUHNTESA-N 1 0 382.403 1.046 20 0 GDADRO C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccon1 ZINC001571199776 953004147 /nfs/dbraw/zinc/00/41/47/953004147.db2.gz BRKFMVMZYVHCNN-GXTWGEPZSA-N 1 0 382.428 1.096 20 0 GDADRO Cc1cc(C(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)no1 ZINC001571200154 953007781 /nfs/dbraw/zinc/00/77/81/953007781.db2.gz BCVXZSCBDRFEPG-HNNXBMFYSA-N 1 0 382.428 1.251 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@H](N(C)c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571202737 953027443 /nfs/dbraw/zinc/02/74/43/953027443.db2.gz XPHZWLDNMQCMKJ-ZDUSSCGKSA-N 1 0 382.428 1.526 20 0 GDADRO O=C(N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)C12CCC[NH+]1CCC2 ZINC001571209940 953069328 /nfs/dbraw/zinc/06/93/28/953069328.db2.gz JRLBYTDOJCNCOV-UHFFFAOYSA-N 1 0 382.468 1.865 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@]12C[C@H]1COC2 ZINC001571209978 953069537 /nfs/dbraw/zinc/06/95/37/953069537.db2.gz KMWLINDEPQLWCW-PXNSSMCTSA-N 1 0 382.468 1.231 20 0 GDADRO O=C(C[C@H]1CCCO1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571210234 953071383 /nfs/dbraw/zinc/07/13/83/953071383.db2.gz PATLKODUCLMHAL-LMSBXDPUSA-N 1 0 382.468 1.657 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@@H]3CC34CC4)C2)cc1-c1nn[nH]n1 ZINC001571210211 953071506 /nfs/dbraw/zinc/07/15/06/953071506.db2.gz OLKJZEVYRNDBEP-HNAYVOBHSA-N 1 0 382.468 1.756 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(CF)cc2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571229743 953171270 /nfs/dbraw/zinc/17/12/70/953171270.db2.gz LUWOKFRLCLTRMV-UHFFFAOYSA-N 1 0 383.431 1.963 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CN1C(=O)Cc1ccc[nH]1 ZINC001571230394 953176724 /nfs/dbraw/zinc/17/67/24/953176724.db2.gz WZJGXSJMHKTUEI-WFASDCNBSA-N 1 0 383.431 1.656 20 0 GDADRO Cc1c[nH]cc1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571230390 953176873 /nfs/dbraw/zinc/17/68/73/953176873.db2.gz WYQCQXBBRSVQNT-UHFFFAOYSA-N 1 0 383.431 1.941 20 0 GDADRO O=C(Cc1ccc[nH]1)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571230376 953176885 /nfs/dbraw/zinc/17/68/85/953176885.db2.gz WPXKRTLQHNUEBS-UHFFFAOYSA-N 1 0 383.431 1.561 20 0 GDADRO Cn1cccc1C(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571230606 953178415 /nfs/dbraw/zinc/17/84/15/953178415.db2.gz YQFKTFLUHIVARH-UHFFFAOYSA-N 1 0 383.431 1.643 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571230612 953178813 /nfs/dbraw/zinc/17/88/13/953178813.db2.gz YQULRHBAHKIHOZ-SJKOYZFVSA-N 1 0 383.431 1.513 20 0 GDADRO Cc1nc(CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cs1 ZINC001571234403 953201736 /nfs/dbraw/zinc/20/17/36/953201736.db2.gz WKOAWKKFIGFEEG-HNNXBMFYSA-N 1 0 383.481 1.565 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2n[nH]cc2F)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571238915 953233985 /nfs/dbraw/zinc/23/39/85/953233985.db2.gz CCCYZLAQPZMZEG-IAQYHMDHSA-N 1 0 384.419 1.512 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239918 953244617 /nfs/dbraw/zinc/24/46/17/953244617.db2.gz UROISYAQQPQFQD-CQSZACIVSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1c[nH]c(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571239923 953244657 /nfs/dbraw/zinc/24/46/57/953244657.db2.gz UVOXBVULFJZPLV-LBPRGKRZSA-N 1 0 384.419 1.289 20 0 GDADRO Cc1c[nH]nc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239960 953245068 /nfs/dbraw/zinc/24/50/68/953245068.db2.gz VVGSJMKBKFONEL-ABAIWWIYSA-N 1 0 384.419 1.288 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cn[nH]c1 ZINC001571241742 953249794 /nfs/dbraw/zinc/24/97/94/953249794.db2.gz KJABKEDCFONQTM-LSDHHAIUSA-N 1 0 384.419 1.560 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2=COCCO2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571241823 953250259 /nfs/dbraw/zinc/25/02/59/953250259.db2.gz MHWPNQHUIZEITB-CJNGLKHVSA-N 1 0 384.440 1.224 20 0 GDADRO CCc1nocc1C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571242455 953256046 /nfs/dbraw/zinc/25/60/46/953256046.db2.gz GTWIZJHAHVIEMA-CQSZACIVSA-N 1 0 384.444 1.530 20 0 GDADRO CCc1onc(C)c1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C ZINC001571242412 953256318 /nfs/dbraw/zinc/25/63/18/953256318.db2.gz FSVIHPSRTAGKGF-RISCZKNCSA-N 1 0 384.444 1.446 20 0 GDADRO CC(C)c1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)o1 ZINC001571242763 953259383 /nfs/dbraw/zinc/25/93/83/953259383.db2.gz NJUCPGIGUOVXEF-HAQNSBGRSA-N 1 0 384.444 1.604 20 0 GDADRO Cc1nc(C(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)sc1C ZINC001571244568 953265120 /nfs/dbraw/zinc/26/51/20/953265120.db2.gz BCKPUGGVBHXVEM-TXEJJXNPSA-N 1 0 384.469 1.377 20 0 GDADRO CCN(C(=O)c1cnsn1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571244655 953265700 /nfs/dbraw/zinc/26/57/00/953265700.db2.gz DCOJPYVCZRORHG-CQSZACIVSA-N 1 0 384.469 1.455 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2ccnnc2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571244671 953265836 /nfs/dbraw/zinc/26/58/36/953265836.db2.gz DJCVXNCEMDFWEN-UONOGXRCSA-N 1 0 384.469 1.501 20 0 GDADRO Cc1cc(N(C)C[C@H]2CCN(C(=O)c3ccsn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571244822 953267192 /nfs/dbraw/zinc/26/71/92/953267192.db2.gz JQWPWLANKICQPW-GFCCVEGCSA-N 1 0 384.469 1.625 20 0 GDADRO CN(C[C@H]1CCCCN1C(=O)c1ccsn1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245064 953270051 /nfs/dbraw/zinc/27/00/51/953270051.db2.gz NFSZLLGZWCZESX-GFCCVEGCSA-N 1 0 384.469 1.849 20 0 GDADRO Cc1cc(NC[C@@]2(C)CCN(C(=O)c3ccns3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245144 953270945 /nfs/dbraw/zinc/27/09/45/953270945.db2.gz OPUHJEQPTXDAOW-QGZVFWFLSA-N 1 0 384.469 1.413 20 0 GDADRO Cc1ccnc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001571245638 953275161 /nfs/dbraw/zinc/27/51/61/953275161.db2.gz XTWULIBTARPFSI-HAQNSBGRSA-N 1 0 384.469 1.325 20 0 GDADRO CC1(C)CN(C(=O)c2cnsn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571245920 953278589 /nfs/dbraw/zinc/27/85/89/953278589.db2.gz OOHITJZTILFJEF-AWEZNQCLSA-N 1 0 384.469 1.359 20 0 GDADRO CC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN(C(=O)c2cnns2)CC1 ZINC001571246068 953280239 /nfs/dbraw/zinc/28/02/39/953280239.db2.gz RSLIJGMQIPHJBF-UHFFFAOYSA-N 1 0 384.469 1.503 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@@H]2C1 ZINC001571246077 953280372 /nfs/dbraw/zinc/28/03/72/953280372.db2.gz RYKSILMCDFCWPV-IJEWVQPXSA-N 1 0 384.459 1.942 20 0 GDADRO CC(C)C(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571248245 953291649 /nfs/dbraw/zinc/29/16/49/953291649.db2.gz OMZIRFXXCXJBOS-FOIQADDNSA-N 1 0 384.484 1.715 20 0 GDADRO CN(C(=O)[C@@H]1CCCOCC1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571248484 953294467 /nfs/dbraw/zinc/29/44/67/953294467.db2.gz VLUGAIMNOGSNNA-WWDZGPRUSA-N 1 0 384.484 1.762 20 0 GDADRO Cc1nnsc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248767 953297083 /nfs/dbraw/zinc/29/70/83/953297083.db2.gz ZLBYVRMDZZXGGU-QGZVFWFLSA-N 1 0 384.469 1.421 20 0 GDADRO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)on1 ZINC001571248820 953298003 /nfs/dbraw/zinc/29/80/03/953298003.db2.gz JLYPIDOPSDGKTI-CHWSQXEVSA-N 1 0 384.444 1.522 20 0 GDADRO Cc1nc(C(C)C)oc1C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571248902 953298647 /nfs/dbraw/zinc/29/86/47/953298647.db2.gz LLGOXHSVSAPKFU-BETUJISGSA-N 1 0 384.444 1.665 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001571249114 953300741 /nfs/dbraw/zinc/30/07/41/953300741.db2.gz DHYAHUXHIHRWJE-KXBFYZLASA-N 1 0 384.488 1.220 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1CNC(=O)C1CCOCC1 ZINC001571249351 953303531 /nfs/dbraw/zinc/30/35/31/953303531.db2.gz HVFVYUDTBOPDTD-RHSMWYFYSA-N 1 0 384.484 1.477 20 0 GDADRO O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCOCC1 ZINC001571250192 953309462 /nfs/dbraw/zinc/30/94/62/953309462.db2.gz ODWBNWGRDVGLNH-ROUUACIJSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001571251392 953316876 /nfs/dbraw/zinc/31/68/76/953316876.db2.gz XAHXLNPYCDNJNX-CJNGLKHVSA-N 1 0 384.488 1.395 20 0 GDADRO Cc1cnc(C[NH2+][C@@H](C)C2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)o1 ZINC001571251716 953319113 /nfs/dbraw/zinc/31/91/13/953319113.db2.gz UZVMJYNAGVGAAL-LBPRGKRZSA-N 1 0 384.444 1.522 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001571251877 953320649 /nfs/dbraw/zinc/32/06/49/953320649.db2.gz BZCAEIUOWKOGTC-GOEBONIOSA-N 1 0 384.488 1.300 20 0 GDADRO Cc1nc(NCC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571252024 953322446 /nfs/dbraw/zinc/32/24/46/953322446.db2.gz FRERRENWWCHECG-GDBMZVCRSA-N 1 0 384.488 1.315 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNc2ncccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001571252041 953323348 /nfs/dbraw/zinc/32/33/48/953323348.db2.gz GBRLVIDAUDZAJL-RBSFLKMASA-N 1 0 384.488 1.395 20 0 GDADRO OC1(C[NH+]2CCCCC2)CCN(c2cc(-c3nn[nH]n3)nc(C3CC3)n2)CC1 ZINC001571252527 953329425 /nfs/dbraw/zinc/32/94/25/953329425.db2.gz OQSNVORCZLBSMR-UHFFFAOYSA-N 1 0 384.488 1.351 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H](Nc3ccc(-c4nn[nH]n4)nc3)C(C)(C)C2)C1 ZINC001571252611 953330332 /nfs/dbraw/zinc/33/03/32/953330332.db2.gz RJNKKLMUXCRPEK-BBRMVZONSA-N 1 0 384.488 1.252 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](Nc3ccc(-c4nn[nH]n4)nc3)C(C)(C)C2)C1 ZINC001571252613 953331086 /nfs/dbraw/zinc/33/10/86/953331086.db2.gz RJNKKLMUXCRPEK-CZUORRHYSA-N 1 0 384.488 1.252 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](CNc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001571252624 953331106 /nfs/dbraw/zinc/33/11/06/953331106.db2.gz RWXMUHMYVJTCMI-UKRRQHHQSA-N 1 0 384.488 1.300 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NCC2CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001571252681 953332116 /nfs/dbraw/zinc/33/21/16/953332116.db2.gz UAFWTNFEJFPLNW-XUJLQICISA-N 1 0 384.488 1.361 20 0 GDADRO Cc1ocnc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC001571254481 953338669 /nfs/dbraw/zinc/33/86/69/953338669.db2.gz GWPWZBRCBURXEA-BONVTDFDSA-N 1 0 385.403 1.553 20 0 GDADRO O=C(c1ccc(F)cn1)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571254425 953338995 /nfs/dbraw/zinc/33/89/95/953338995.db2.gz DBEYZZQMKTVIFH-AWEZNQCLSA-N 1 0 385.378 1.544 20 0 GDADRO Cc1cc(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)no1 ZINC001571254544 953339691 /nfs/dbraw/zinc/33/96/91/953339691.db2.gz HBKAYNQBAYMKRL-ZDUSSCGKSA-N 1 0 385.403 1.235 20 0 GDADRO Cc1cnoc1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571255216 953346860 /nfs/dbraw/zinc/34/68/60/953346860.db2.gz MUPZSDQQKXMHFH-LBPRGKRZSA-N 1 0 385.403 1.554 20 0 GDADRO COC(=O)C1CC2(C1)C[N@H+](C[C@H](O)CN(C)Cc1ccccc1)C[C@H]2C(=O)[O-] ZINC001593825113 955096205 /nfs/dbraw/zinc/09/62/05/955096205.db2.gz XUHMIJXXVSBYSJ-IOBOIYPZSA-N 1 0 390.480 1.065 20 0 GDADRO CN(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000874428462 956223052 /nfs/dbraw/zinc/22/30/52/956223052.db2.gz HNJIIXGTZZIWTC-AHCXZYCDSA-N 1 0 380.533 1.828 20 0 GDADRO CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001592268140 977519931 /nfs/dbraw/zinc/51/99/31/977519931.db2.gz KEBYOJVLOMZNQF-OAHLLOKOSA-N 1 0 377.485 1.927 20 0 GDADRO O=C([O-])C12CCC(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)(CC1)C2 ZINC000911323986 982348644 /nfs/dbraw/zinc/34/86/44/982348644.db2.gz QRGXNBQAAOCTDY-UHFFFAOYSA-N 1 0 386.496 1.745 20 0 GDADRO C[N@@H+]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[C@H](C(=O)[O-])C1 ZINC001598608488 993720165 /nfs/dbraw/zinc/72/01/65/993720165.db2.gz YVHCMSXWNKYLIN-QGZVFWFLSA-N 1 0 380.533 1.833 20 0 GDADRO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2ccc3c(c2)OCCCCO3)CC1 ZINC001598617400 993913636 /nfs/dbraw/zinc/91/36/36/993913636.db2.gz SKRIKXLNSAXNSK-UHFFFAOYSA-N 1 0 377.485 1.372 20 0 GDADRO C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCn4nc(C(=O)[O-])cc43)cc2)CC1 ZINC001598619977 993986768 /nfs/dbraw/zinc/98/67/68/993986768.db2.gz VPIYFTIKUTWWBJ-GOSISDBHSA-N 1 0 383.496 1.953 20 0 GDADRO COC[C@]1(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)CCCN1C(=O)OC(C)(C)C ZINC001599199510 997278265 /nfs/dbraw/zinc/27/82/65/997278265.db2.gz WPOQSRZLSMZYDL-LJQANCHMSA-N 1 0 385.505 1.541 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)CC[N@@H+]1CCC(=O)[O-] ZINC001594466918 999692133 /nfs/dbraw/zinc/69/21/33/999692133.db2.gz ULEKUBPFYAFUNG-QUCCMNQESA-N 1 0 387.524 1.949 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2coc(S(N)(=O)=O)c2)cc1OC ZINC001308117531 1126163380 /nfs/dbraw/zinc/16/33/80/1126163380.db2.gz VREOWBKPCKFZJH-QGZVFWFLSA-N 1 0 384.454 1.028 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c(F)c1 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389.449 1.713 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000163072005 530573109 /nfs/dbraw/zinc/57/31/09/530573109.db2.gz VDSDWBFCXGERAY-LLVKDONJSA-N 1 0 389.880 1.827 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000163176648 530573922 /nfs/dbraw/zinc/57/39/22/530573922.db2.gz DPRFMPUKAWSWCW-LBPRGKRZSA-N 1 0 384.274 1.652 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1Br ZINC000163179930 530574316 /nfs/dbraw/zinc/57/43/16/530574316.db2.gz RSVSYSHRKRGGSO-NSHDSACASA-N 1 0 385.306 1.471 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000163243696 530575038 /nfs/dbraw/zinc/57/50/38/530575038.db2.gz ICUOQRQZTSHYSC-RISCZKNCSA-N 1 0 399.289 1.535 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000163603376 530576494 /nfs/dbraw/zinc/57/64/94/530576494.db2.gz BIUAHVUFECEOOZ-ZANVPECISA-N 1 0 377.869 1.539 20 0 GDADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)nc2)C1 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392.253 1.257 20 0 GDADRO CC[NH+]1CCC(NC(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000033240788 530612691 /nfs/dbraw/zinc/61/26/91/530612691.db2.gz NFFLSEAIENAXPN-UHFFFAOYSA-N 1 0 396.285 1.775 20 0 GDADRO C[C@@H]1CS(=O)(=O)CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000172381090 530612938 /nfs/dbraw/zinc/61/29/38/530612938.db2.gz PSGPGONDOLTRRS-CQSZACIVSA-N 1 0 385.555 1.789 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)c3c[nH]c(=O)c(Br)c3)nc2)CC1 ZINC000173118495 530623604 /nfs/dbraw/zinc/62/36/04/530623604.db2.gz DNRKHZFQOSKZGV-UHFFFAOYSA-N 1 0 392.257 1.537 20 0 GDADRO C[C@H](C(=O)NCC(C)(C)[NH+](C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000041798689 530624369 /nfs/dbraw/zinc/62/43/69/530624369.db2.gz YNNIZRGHZCWRHV-SNVBAGLBSA-N 1 0 396.285 1.890 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173224219 530627057 /nfs/dbraw/zinc/62/70/57/530627057.db2.gz CNMYFQVBUBMDEN-ZDUSSCGKSA-N 1 0 394.269 1.869 20 0 GDADRO C[C@H]1CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H](C)O1 ZINC000042169459 530627732 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CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173631372 530634365 /nfs/dbraw/zinc/63/43/65/530634365.db2.gz NAPJNGNPDUSUDF-OAHLLOKOSA-N 1 0 386.539 1.587 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000044396765 530639218 /nfs/dbraw/zinc/63/92/18/530639218.db2.gz FKPBAFGZKCESKP-UHFFFAOYSA-N 1 0 392.301 1.612 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(CCNC(C)=O)s2)C1 ZINC000173954334 530639901 /nfs/dbraw/zinc/63/99/01/530639901.db2.gz NFEPQIXKJHPWEA-OAHLLOKOSA-N 1 0 387.571 1.779 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000174138087 530644172 /nfs/dbraw/zinc/64/41/72/530644172.db2.gz ZAUJGWFTSRFFPO-ZDUSSCGKSA-N 1 0 395.305 1.313 20 0 GDADRO O=S1(=O)CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000037982321 530616681 /nfs/dbraw/zinc/61/66/81/530616681.db2.gz GDANUJLOWNTBHJ-WCQYABFASA-N 1 0 378.288 1.213 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000174221058 530645586 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C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000174793571 530654624 /nfs/dbraw/zinc/65/46/24/530654624.db2.gz BWVLNTMIUJVKHK-LBPRGKRZSA-N 1 0 383.290 1.713 20 0 GDADRO O=C(NCCc1nc(C(F)(F)F)cs1)NCC1CC[NH+](CCO)CC1 ZINC000174826595 530655384 /nfs/dbraw/zinc/65/53/84/530655384.db2.gz XYYOKVQISRYARC-UHFFFAOYSA-N 1 0 380.436 1.708 20 0 GDADRO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000047262033 530657462 /nfs/dbraw/zinc/65/74/62/530657462.db2.gz ZTJWUOZARPCCSI-SECBINFHSA-N 1 0 398.261 1.078 20 0 GDADRO C[NH+](C)Cc1ccccc1CNC(=O)Cn1cc(Br)ccc1=O ZINC000047527318 530660417 /nfs/dbraw/zinc/66/04/17/530660417.db2.gz GPBVWRPUPSAOCK-UHFFFAOYSA-N 1 0 378.270 1.989 20 0 GDADRO COCCCS(=O)(=O)NCCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000175233689 530661148 /nfs/dbraw/zinc/66/11/48/530661148.db2.gz DBYXFPPONBALPF-ZWKOTPCHSA-N 1 0 375.579 1.529 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000175444419 530665810 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Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000440341570 531334059 /nfs/dbraw/zinc/33/40/59/531334059.db2.gz PPTNHJHMBTUBCJ-AWEZNQCLSA-N 1 0 385.917 1.481 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000440351518 531334955 /nfs/dbraw/zinc/33/49/55/531334955.db2.gz AXTGTSQINMBDOS-WBMJQRKESA-N 1 0 387.527 1.018 20 0 GDADRO CSc1ccc(OC[C@H](O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC000411724159 531335818 /nfs/dbraw/zinc/33/58/18/531335818.db2.gz YJJGNDRDJYPGPF-OAHLLOKOSA-N 1 0 388.555 1.409 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000440838467 531347592 /nfs/dbraw/zinc/34/75/92/531347592.db2.gz RKRONVFRJZLGAD-NSHDSACASA-N 1 0 393.303 1.362 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC[NH2+]1 ZINC000278255929 531347724 /nfs/dbraw/zinc/34/77/24/531347724.db2.gz NBMJSTLCZJCGGA-BQBZGAKWSA-N 1 0 382.305 1.028 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@H]3C[NH+](C)C)c(Cl)cc21 ZINC000528350628 531348113 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CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@]3(C)CCC[NH2+]C3)c(Cl)cc21 ZINC000528047354 531340266 /nfs/dbraw/zinc/34/02/66/531340266.db2.gz DNEYNSDWQWLZCU-KRWDZBQOSA-N 1 0 385.917 1.917 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)NC2CCCCC2)cc[nH+]1 ZINC000349567616 531340431 /nfs/dbraw/zinc/34/04/31/531340431.db2.gz QQXMZIIKGOZPIX-UHFFFAOYSA-N 1 0 389.543 1.586 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c1OC ZINC000528050355 531340656 /nfs/dbraw/zinc/34/06/56/531340656.db2.gz XKFYKCYYKNEQNI-CYBMUJFWSA-N 1 0 387.889 1.271 20 0 GDADRO CN(Cc1cc2c(c(Br)c1)OCO2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292189838 531341147 /nfs/dbraw/zinc/34/11/47/531341147.db2.gz NAUUATAVLFCXJN-NSHDSACASA-N 1 0 391.287 1.644 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)NCC3([NH3+])CCOCC3)c(Cl)cc21 ZINC000528052531 531341285 /nfs/dbraw/zinc/34/12/85/531341285.db2.gz SYEVMRIWZFOYFV-UHFFFAOYSA-N 1 0 387.889 1.035 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000266353000 531341933 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O=C(NC[C@H]1COCC[NH2+]1)Nc1cnn(-c2ccccc2Br)c1 ZINC000528684256 531371373 /nfs/dbraw/zinc/37/13/73/531371373.db2.gz ADOXZPXFORTKMB-LBPRGKRZSA-N 1 0 380.246 1.745 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccccc2Cn2ccnc2)C[C@@H]1[NH+](C)C ZINC000443053657 531384181 /nfs/dbraw/zinc/38/41/81/531384181.db2.gz VHWNRLZUWSPFCD-HOTGVXAUSA-N 1 0 380.539 1.598 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000443062449 531384682 /nfs/dbraw/zinc/38/46/82/531384682.db2.gz BBXJFZAMZDOZIK-UHFFFAOYSA-N 1 0 375.516 1.864 20 0 GDADRO Cc1sc(Br)nc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000278741872 531385137 /nfs/dbraw/zinc/38/51/37/531385137.db2.gz DSRPVIGIZBLEFF-SNVBAGLBSA-N 1 0 375.336 1.827 20 0 GDADRO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000266999222 531385458 /nfs/dbraw/zinc/38/54/58/531385458.db2.gz CENOVNDANNQYJH-JJRVBVJISA-N 1 0 390.933 1.779 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000443155591 531386620 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COC[C@@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1sc(=O)[nH]c1C ZINC000484747900 531423017 /nfs/dbraw/zinc/42/30/17/531423017.db2.gz BVYWQMVPIJRDHS-CQSZACIVSA-N 1 0 385.511 1.283 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000447253382 531423092 /nfs/dbraw/zinc/42/30/92/531423092.db2.gz YBROGWRQZVQAOO-QWHCGFSZSA-N 1 0 387.571 1.811 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000447251403 531423294 /nfs/dbraw/zinc/42/32/94/531423294.db2.gz YDUAKKXDUBFTOP-PWSUYJOCSA-N 1 0 393.303 1.442 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000447253804 531423614 /nfs/dbraw/zinc/42/36/14/531423614.db2.gz BYGHBRQWWDFGBL-QWRGUYRKSA-N 1 0 376.320 1.873 20 0 GDADRO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000267429502 531424825 /nfs/dbraw/zinc/42/48/25/531424825.db2.gz CMNGAILVYFYDBU-GJZGRUSLSA-N 1 0 376.544 1.592 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000484912396 531427219 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C[NH+](C)CC(C)(C)CNCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414247515 531437202 /nfs/dbraw/zinc/43/72/02/531437202.db2.gz UDMOGKKAQWVREW-UHFFFAOYSA-N 1 0 378.336 1.774 20 0 GDADRO COCCOCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414252107 531437225 /nfs/dbraw/zinc/43/72/25/531437225.db2.gz HNFSHOVHBUWGFW-UHFFFAOYSA-N 1 0 381.292 1.239 20 0 GDADRO CC[NH+](CC)CCN(C(=O)CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000534314217 531438589 /nfs/dbraw/zinc/43/85/89/531438589.db2.gz ICRQWFNGBCQCPG-HNNXBMFYSA-N 1 0 390.937 1.284 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)N1CC[NH+](C)CC1 ZINC000447870111 531438651 /nfs/dbraw/zinc/43/86/51/531438651.db2.gz WZTGFTRNTLRBGO-LLVKDONJSA-N 1 0 383.411 1.759 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)s1 ZINC000414326092 531440381 /nfs/dbraw/zinc/44/03/81/531440381.db2.gz DOCWJRFRXHFOTP-SNVBAGLBSA-N 1 0 377.434 1.959 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1Br ZINC000414363816 531443704 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20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000279692817 531449668 /nfs/dbraw/zinc/44/96/68/531449668.db2.gz QYDFYVLWPQTQCC-ZDUSSCGKSA-N 1 0 383.905 1.682 20 0 GDADRO CN(C)C(=O)N1CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000279701701 531450433 /nfs/dbraw/zinc/45/04/33/531450433.db2.gz RHYPNXMGXFERLE-AWEZNQCLSA-N 1 0 383.290 1.711 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c(C)cc1Br ZINC000415351801 531477850 /nfs/dbraw/zinc/47/78/50/531477850.db2.gz JFUZMDGGYYDMSB-VIFPVBQESA-N 1 0 384.230 1.042 20 0 GDADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000415306290 531473467 /nfs/dbraw/zinc/47/34/67/531473467.db2.gz WDXABNFGYUNQJJ-GXFFZTMASA-N 1 0 378.445 1.867 20 0 GDADRO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1C ZINC000449714008 531474278 /nfs/dbraw/zinc/47/42/78/531474278.db2.gz BBAQWEQLOZJARX-CYBMUJFWSA-N 1 0 381.420 1.320 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415318970 531474440 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GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000415332586 531476856 /nfs/dbraw/zinc/47/68/56/531476856.db2.gz VBRBTZDKPNAHTE-UHFFFAOYSA-N 1 0 398.257 1.385 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000415338786 531476960 /nfs/dbraw/zinc/47/69/60/531476960.db2.gz ZWMSIOBPIGGLHF-UHFFFAOYSA-N 1 0 378.782 1.319 20 0 GDADRO COC(=O)[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)CC[N@H+](C)C1 ZINC000414484387 531458682 /nfs/dbraw/zinc/45/86/82/531458682.db2.gz GRKREQUJFBKINI-ZDUSSCGKSA-N 1 0 399.285 1.757 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)NCCCC[NH+]2CCOCC2)s1 ZINC000279927745 531461481 /nfs/dbraw/zinc/46/14/81/531461481.db2.gz KWGPWRPJTVAODE-UHFFFAOYSA-N 1 0 389.543 1.453 20 0 GDADRO CCc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1S(N)(=O)=O ZINC000267923740 531462025 /nfs/dbraw/zinc/46/20/25/531462025.db2.gz DGDRPKMUMOFMDZ-MRXNPFEDSA-N 1 0 386.543 1.455 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2F)C1 ZINC000414710098 531463068 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COC(=O)COC[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000449289497 531468595 /nfs/dbraw/zinc/46/85/95/531468595.db2.gz SZHMGTINQJQYAP-JTQLQIEISA-N 1 0 383.388 1.777 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415260494 531468996 /nfs/dbraw/zinc/46/89/96/531468996.db2.gz BKFOHJMNROLSGY-LLVKDONJSA-N 1 0 387.221 1.488 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415264322 531469741 /nfs/dbraw/zinc/46/97/41/531469741.db2.gz CAYLAGJSSJBWLM-GFCCVEGCSA-N 1 0 392.257 1.523 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N2CCC([NH3+])CC2)cc1Br ZINC000415274302 531470500 /nfs/dbraw/zinc/47/05/00/531470500.db2.gz WUCUFJSRLAWJRU-UHFFFAOYSA-N 1 0 383.290 1.399 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415269587 531470909 /nfs/dbraw/zinc/47/09/09/531470909.db2.gz PJUCGSRYTKCYMO-SECBINFHSA-N 1 0 388.237 1.875 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000415299872 531472450 /nfs/dbraw/zinc/47/24/50/531472450.db2.gz ZNDOSUBSHUEJLN-SSDOTTSWSA-N 1 0 396.163 1.846 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415353518 531478577 /nfs/dbraw/zinc/47/85/77/531478577.db2.gz MLKCSCXLNBSTMZ-LURJTMIESA-N 1 0 395.147 1.068 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000415362117 531479269 /nfs/dbraw/zinc/47/92/69/531479269.db2.gz ASFSESZSCGJUOO-UHFFFAOYSA-N 1 0 386.246 1.208 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000280208889 531480389 /nfs/dbraw/zinc/48/03/89/531480389.db2.gz FOZMQNKJONJTGT-UHFFFAOYSA-N 1 0 381.274 1.902 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC(C)(C)C[NH3+])n(-c2cccc(Br)c2)n1 ZINC000415377267 531480959 /nfs/dbraw/zinc/48/09/59/531480959.db2.gz DVCCXTPCWKZDFV-UHFFFAOYSA-N 1 0 394.273 1.735 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1Br ZINC000415388684 531481659 /nfs/dbraw/zinc/48/16/59/531481659.db2.gz YQNGAVXGRGNGOE-SECBINFHSA-N 1 0 386.246 1.273 20 0 GDADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415381915 531481737 /nfs/dbraw/zinc/48/17/37/531481737.db2.gz OIJBYFBKKWFQDF-UHFFFAOYSA-N 1 0 380.246 1.427 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415381135 531481764 /nfs/dbraw/zinc/48/17/64/531481764.db2.gz UGCQRAMGCOYRKQ-JTQLQIEISA-N 1 0 388.262 1.266 20 0 GDADRO CCCN(C(=O)C(=O)Nc1ccc(OC)cc1Br)[C@H]1CC[NH2+]C1 ZINC000415395148 531482398 /nfs/dbraw/zinc/48/23/98/531482398.db2.gz RWCSFOCZTWDELI-NSHDSACASA-N 1 0 384.274 1.997 20 0 GDADRO O=C(c1ccsc1Br)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000450369521 531493360 /nfs/dbraw/zinc/49/33/60/531493360.db2.gz PXLFEXNSUAPWNA-UHFFFAOYSA-N 1 0 389.315 1.810 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2I)C1 ZINC000415400218 531483290 /nfs/dbraw/zinc/48/32/90/531483290.db2.gz VQGXGBIXFFGIDX-SNVBAGLBSA-N 1 0 387.221 1.298 20 0 GDADRO Cn1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc(Br)c1=O ZINC000415426658 531484732 /nfs/dbraw/zinc/48/47/32/531484732.db2.gz NLIWFFFVICLXRX-ZDUSSCGKSA-N 1 0 399.289 1.110 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000415430843 531485158 /nfs/dbraw/zinc/48/51/58/531485158.db2.gz CVUNFNJISQIBFC-GFCCVEGCSA-N 1 0 385.255 1.612 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000415428641 531485268 /nfs/dbraw/zinc/48/52/68/531485268.db2.gz DAAIPAYTUYRKJW-MNOVXSKESA-N 1 0 384.274 1.982 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415431750 531485295 /nfs/dbraw/zinc/48/52/95/531485295.db2.gz DZKRHDCNNBUBJC-CYBMUJFWSA-N 1 0 394.273 1.673 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415436200 531486032 /nfs/dbraw/zinc/48/60/32/531486032.db2.gz JKUYNHIHJKLLTI-NSHDSACASA-N 1 0 389.237 1.638 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415439499 531486146 /nfs/dbraw/zinc/48/61/46/531486146.db2.gz QWURBPRDZUSTHP-JTQLQIEISA-N 1 0 387.221 1.358 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)ccc1Br ZINC000415450359 531487259 /nfs/dbraw/zinc/48/72/59/531487259.db2.gz JXAXRDLWLRGZDI-GFCCVEGCSA-N 1 0 398.257 1.336 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000415449394 531487267 /nfs/dbraw/zinc/48/72/67/531487267.db2.gz MCBPGDYVZQHOIX-LBPRGKRZSA-N 1 0 387.221 1.392 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)NCC(C)(C)[NH3+])sc2c1CCCS2 ZINC000415460932 531488198 /nfs/dbraw/zinc/48/81/98/531488198.db2.gz BERCBZNOQQWRPZ-UHFFFAOYSA-N 1 0 385.511 1.755 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc(OC)c1Br ZINC000415451647 531488214 /nfs/dbraw/zinc/48/82/14/531488214.db2.gz LGQIRLFFVZOVNI-SNVBAGLBSA-N 1 0 386.246 1.258 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCNC(=O)C1CC1 ZINC000294651494 531489725 /nfs/dbraw/zinc/48/97/25/531489725.db2.gz BXUDSAKSUXOQMO-NSHDSACASA-N 1 0 398.301 1.578 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cs1 ZINC000363535231 531489879 /nfs/dbraw/zinc/48/98/79/531489879.db2.gz QIZZCDWPEISYQI-MRVWCRGKSA-N 1 0 388.511 1.407 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000415486641 531489935 /nfs/dbraw/zinc/48/99/35/531489935.db2.gz QLSMBQNUUBAHAZ-PWSUYJOCSA-N 1 0 382.258 1.749 20 0 GDADRO C[C@](O)(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)c1ccc(Br)cc1F ZINC000294643907 531490059 /nfs/dbraw/zinc/49/00/59/531490059.db2.gz QCIDJSRVKKCPQA-INIZCTEOSA-N 1 0 382.233 1.937 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000450203196 531490284 /nfs/dbraw/zinc/49/02/84/531490284.db2.gz GIBYEQRYHUQCIM-INIZCTEOSA-N 1 0 381.274 1.677 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)CCO1 ZINC000415494914 531490573 /nfs/dbraw/zinc/49/05/73/531490573.db2.gz DQDGANJMRLRKIX-LLVKDONJSA-N 1 0 398.286 2.159 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1C(=O)OC ZINC000415500123 531490837 /nfs/dbraw/zinc/49/08/37/531490837.db2.gz SLZUYWKUATYPBY-NSHDSACASA-N 1 0 398.257 1.385 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000415504401 531491018 /nfs/dbraw/zinc/49/10/18/531491018.db2.gz WDRUJCAYJQAUSA-JTQLQIEISA-N 1 0 375.878 1.316 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000415495476 531491127 /nfs/dbraw/zinc/49/11/27/531491127.db2.gz FPUYRTHYJDVICD-CYBMUJFWSA-N 1 0 389.905 1.514 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000415497207 531491220 /nfs/dbraw/zinc/49/12/20/531491220.db2.gz LOCKHCFAVBHJPC-NSHDSACASA-N 1 0 390.893 1.284 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415519077 531491457 /nfs/dbraw/zinc/49/14/57/531491457.db2.gz JILWYJKORKCBJL-GHMZBOCLSA-N 1 0 384.274 1.982 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415541664 531492381 /nfs/dbraw/zinc/49/23/81/531492381.db2.gz OELPIENYZZXKHP-UWVGGRQHSA-N 1 0 381.274 1.856 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 ZINC000415544530 531492799 /nfs/dbraw/zinc/49/27/99/531492799.db2.gz GTWDVIHMZBVQJY-UHFFFAOYSA-N 1 0 394.273 1.560 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415544564 531492867 /nfs/dbraw/zinc/49/28/67/531492867.db2.gz UHRATPPKWIDCSA-YUMQZZPRSA-N 1 0 376.201 1.862 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[NH2+]CCOC ZINC000415544517 531492981 /nfs/dbraw/zinc/49/29/81/531492981.db2.gz GQSMJAIQERVVRE-UHFFFAOYSA-N 1 0 388.262 1.139 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cncc(Br)c1 ZINC000415357499 531478325 /nfs/dbraw/zinc/47/83/25/531478325.db2.gz SAOZLGBTYDFJQI-LLVKDONJSA-N 1 0 396.211 1.802 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415663340 531510724 /nfs/dbraw/zinc/51/07/24/531510724.db2.gz WHRHTDLWGUZOPU-CPCISQLKSA-N 1 0 376.201 1.780 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[NH2+]1 ZINC000415664503 531510917 /nfs/dbraw/zinc/51/09/17/531510917.db2.gz SIVXDMKRDMTRQR-APPZFPTMSA-N 1 0 376.201 1.923 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2I)CC[NH2+]1 ZINC000415667842 531511809 /nfs/dbraw/zinc/51/18/09/531511809.db2.gz YQSJUTGWPDFCQL-VHSXEESVSA-N 1 0 387.221 1.486 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000268433101 531512889 /nfs/dbraw/zinc/51/28/89/531512889.db2.gz DOVVGMBGZHFRQH-UHFFFAOYSA-N 1 0 388.917 1.709 20 0 GDADRO OCCC[N@@H+]1CCC[C@H](NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000295020815 531513322 /nfs/dbraw/zinc/51/33/22/531513322.db2.gz CGHGEJSAMVDDNI-AWEZNQCLSA-N 1 0 394.317 1.966 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415683937 531513583 /nfs/dbraw/zinc/51/35/83/531513583.db2.gz SSYAVBJCZLPISS-IUCAKERBSA-N 1 0 388.251 1.975 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000658540042 531514475 /nfs/dbraw/zinc/51/44/75/531514475.db2.gz LIGVPDKDXXAOIH-UHFFFAOYSA-N 1 0 375.803 1.942 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(Br)c2ncccc12 ZINC000658542153 531514596 /nfs/dbraw/zinc/51/45/96/531514596.db2.gz WUMUMKALCFDUQI-UHFFFAOYSA-N 1 0 391.269 1.956 20 0 GDADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489910802 531515123 /nfs/dbraw/zinc/51/51/23/531515123.db2.gz YHIBMPZDIRMSOT-WFASDCNBSA-N 1 0 385.281 1.094 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2cc(Br)ccc2C)CC[NH2+]CC1 ZINC000415708188 531516435 /nfs/dbraw/zinc/51/64/35/531516435.db2.gz OIUUQKFIOIFTLI-UHFFFAOYSA-N 1 0 398.301 1.828 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2cc(C)cc(Br)c2)CC[NH2+]CC1 ZINC000415704712 531516525 /nfs/dbraw/zinc/51/65/25/531516525.db2.gz KJTWPDPOZPZYKB-UHFFFAOYSA-N 1 0 398.301 1.828 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2ccc(Br)c(C)c2)CCC[NH2+]1 ZINC000415704130 531516757 /nfs/dbraw/zinc/51/67/57/531516757.db2.gz HFCAWGZLQBYCEP-INIZCTEOSA-N 1 0 384.274 1.581 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2cc(C)ccc2Br)CC[NH2+]CC1 ZINC000415703518 531517123 /nfs/dbraw/zinc/51/71/23/531517123.db2.gz IMKVIQCOYLKBCW-UHFFFAOYSA-N 1 0 398.301 1.828 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CCN1CCCS1(=O)=O ZINC000268464770 531517934 /nfs/dbraw/zinc/51/79/34/531517934.db2.gz BCOKJMPRHLTHRK-UHFFFAOYSA-N 1 0 387.571 1.844 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CCC[NH2+]1 ZINC000415715404 531518463 /nfs/dbraw/zinc/51/84/63/531518463.db2.gz ZDOFWTSQJFFFBW-OAHLLOKOSA-N 1 0 378.231 1.956 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000557719193 531518627 /nfs/dbraw/zinc/51/86/27/531518627.db2.gz QTDYNZBKVOTMKY-OAHLLOKOSA-N 1 0 375.922 1.629 20 0 GDADRO O=C(C(=O)N1CCc2ccc(Br)cc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000415548465 531493811 /nfs/dbraw/zinc/49/38/11/531493811.db2.gz IFYWOKCHVUTWJA-UHFFFAOYSA-N 1 0 392.297 1.940 20 0 GDADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC12CCSCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000450378456 531493985 /nfs/dbraw/zinc/49/39/85/531493985.db2.gz NHQFMJZTSMYKFI-CVEARBPZSA-N 1 0 388.599 1.877 20 0 GDADRO COCCN(C)CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280425076 531496162 /nfs/dbraw/zinc/49/61/62/531496162.db2.gz AVKPZPGBWSZNEG-LLVKDONJSA-N 1 0 394.335 1.325 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415572594 531496479 /nfs/dbraw/zinc/49/64/79/531496479.db2.gz OPZRJAGJLQBYFN-UHFFFAOYSA-N 1 0 384.274 1.902 20 0 GDADRO Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000415716702 531518871 /nfs/dbraw/zinc/51/88/71/531518871.db2.gz WWYNQFUXCZGXMZ-CYBMUJFWSA-N 1 0 385.295 1.746 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415581339 531498516 /nfs/dbraw/zinc/49/85/16/531498516.db2.gz NHYADGWERORGKC-WCFLWFBJSA-N 1 0 396.285 1.982 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)N2CCO[C@@H](C[NH3+])C2)ccc1Br ZINC000415591714 531499978 /nfs/dbraw/zinc/49/99/78/531499978.db2.gz AZIFWHROLWTNKI-JTQLQIEISA-N 1 0 386.246 1.736 20 0 GDADRO O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415715293 531518956 /nfs/dbraw/zinc/51/89/56/531518956.db2.gz VMEBGFFJKPLDPN-SNVBAGLBSA-N 1 0 389.258 1.577 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000415714133 531518983 /nfs/dbraw/zinc/51/89/83/531518983.db2.gz UDNDBJHPJYWEEH-AWEZNQCLSA-N 1 0 395.301 1.202 20 0 GDADRO O=C(C[C@H]1C[NH2+]CCO1)NCc1cc(Cl)cc(I)c1 ZINC000581606468 531503019 /nfs/dbraw/zinc/50/30/19/531503019.db2.gz NOFXWPBZKJEXPH-LBPRGKRZSA-N 1 0 394.640 1.939 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(I)cc1 ZINC000415617389 531505369 /nfs/dbraw/zinc/50/53/69/531505369.db2.gz BLTHDRGUZHJMEY-LLVKDONJSA-N 1 0 387.221 1.488 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1Br ZINC000415633544 531506284 /nfs/dbraw/zinc/50/62/84/531506284.db2.gz YSEGDTCADGGTPR-SKDRFNHKSA-N 1 0 398.257 1.288 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1sccc1COC)[C@@H]1CCS(=O)(=O)C1 ZINC000489649834 531506513 /nfs/dbraw/zinc/50/65/13/531506513.db2.gz ODCNNHYIGVQBAT-OAHLLOKOSA-N 1 0 388.555 1.866 20 0 GDADRO CC[NH2+]CCCNC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000557018264 531506510 /nfs/dbraw/zinc/50/65/10/531506510.db2.gz BTPIGDFMKULLQJ-UHFFFAOYSA-N 1 0 399.337 1.717 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000415631429 531507250 /nfs/dbraw/zinc/50/72/50/531507250.db2.gz MVDPDSRMGLLXAS-PHIMTYICSA-N 1 0 382.258 1.749 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000489648578 531507531 /nfs/dbraw/zinc/50/75/31/531507531.db2.gz FYDSFODKSFLGFK-UHFFFAOYSA-N 1 0 375.922 1.857 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415651181 531508813 /nfs/dbraw/zinc/50/88/13/531508813.db2.gz GIMBSONQOZHRQW-CPCISQLKSA-N 1 0 376.201 1.780 20 0 GDADRO C[NH+](C)CCCC1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000635754709 531509110 /nfs/dbraw/zinc/50/91/10/531509110.db2.gz ZIACIHNIIUNOKS-KBPBESRZSA-N 1 0 384.464 1.790 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[NH2+]1 ZINC000415649550 531508996 /nfs/dbraw/zinc/50/89/96/531508996.db2.gz ANLUVCBXNKMCNO-HTQZYQBOSA-N 1 0 376.201 1.923 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000415658078 531509231 /nfs/dbraw/zinc/50/92/31/531509231.db2.gz UZVUBUIMIGEOJM-UWVGGRQHSA-N 1 0 398.257 1.560 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCC[N@@H+](C)CCN(C)C)cc1Br ZINC000581689628 531509757 /nfs/dbraw/zinc/50/97/57/531509757.db2.gz ZKGWVKVXJGABSF-UHFFFAOYSA-N 1 0 392.363 1.919 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415658629 531510126 /nfs/dbraw/zinc/51/01/26/531510126.db2.gz NNWIZELBYFNOGU-RDDDGLTNSA-N 1 0 376.201 1.780 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000294961155 531510168 /nfs/dbraw/zinc/51/01/68/531510168.db2.gz FVWIKVVNUYTOTA-UHFFFAOYSA-N 1 0 386.265 1.759 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415664600 531510501 /nfs/dbraw/zinc/51/05/01/531510501.db2.gz UHMUCEZZHUYHOD-ZYHUDNBSSA-N 1 0 384.274 1.819 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415750247 531523476 /nfs/dbraw/zinc/52/34/76/531523476.db2.gz SUIOBCODRASYNZ-QWRGUYRKSA-N 1 0 382.258 1.464 20 0 GDADRO O=C(Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415757817 531524861 /nfs/dbraw/zinc/52/48/61/531524861.db2.gz HITWOTPCIOPUNN-URLYPYJESA-N 1 0 392.175 1.740 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c(Br)c1 ZINC000415756941 531525725 /nfs/dbraw/zinc/52/57/25/531525725.db2.gz BKHKIMZUFQBTAL-UHFFFAOYSA-N 1 0 396.285 1.998 20 0 GDADRO CN(C(=O)C(=O)NCc1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550362494 531526028 /nfs/dbraw/zinc/52/60/28/531526028.db2.gz SNCUPHOUUAXEFL-HNNXBMFYSA-N 1 0 380.286 1.760 20 0 GDADRO [NH3+]C[C@H]1CCCN1S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000582062125 531532716 /nfs/dbraw/zinc/53/27/16/531532716.db2.gz RWJRWUPFAFPVGV-CVEARBPZSA-N 1 0 385.917 1.698 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000415778902 531528502 /nfs/dbraw/zinc/52/85/02/531528502.db2.gz KDQQSQCHHZJGTA-MFKMUULPSA-N 1 0 382.258 1.607 20 0 GDADRO Cc1nnc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000658751760 531529443 /nfs/dbraw/zinc/52/94/43/531529443.db2.gz KOPWIJDYRJCCCX-UHFFFAOYSA-N 1 0 381.527 1.457 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415785823 531529987 /nfs/dbraw/zinc/52/99/87/531529987.db2.gz NSQZMDIBDYDTEG-JTQLQIEISA-N 1 0 380.246 1.427 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnc(OC)c(Br)c2C)C1 ZINC000658786259 531529986 /nfs/dbraw/zinc/52/99/86/531529986.db2.gz ZGGUNSNLQUEQDJ-LLVKDONJSA-N 1 0 399.289 1.700 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000415787896 531530028 /nfs/dbraw/zinc/53/00/28/531530028.db2.gz LNNUSZIMDWLFOV-GHMZBOCLSA-N 1 0 385.310 1.453 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H]([NH3+])CC)sc2c1CCCS2 ZINC000415781924 531530360 /nfs/dbraw/zinc/53/03/60/531530360.db2.gz GFKVLELRTUHYSD-VIFPVBQESA-N 1 0 385.511 1.755 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415782348 531530398 /nfs/dbraw/zinc/53/03/98/531530398.db2.gz GONZVWXMWKCZQD-CYBMUJFWSA-N 1 0 394.273 1.486 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000415792724 531531812 /nfs/dbraw/zinc/53/18/12/531531812.db2.gz UHRPOUPGHRRRLI-SSDOTTSWSA-N 1 0 390.209 1.167 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1I ZINC000415790786 531531936 /nfs/dbraw/zinc/53/19/36/531531936.db2.gz RTWHYLIDEFNSDI-BDAKNGLRSA-N 1 0 375.210 1.390 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000659016662 531536877 /nfs/dbraw/zinc/53/68/77/531536877.db2.gz KSZRTMYIXADENS-UHFFFAOYSA-N 1 0 396.289 1.554 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000658975692 531537141 /nfs/dbraw/zinc/53/71/41/531537141.db2.gz HDWBRLFDFWUXFR-LLVKDONJSA-N 1 0 390.893 1.090 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2cccc(I)c2)CC[NH2+]1 ZINC000415822176 531537622 /nfs/dbraw/zinc/53/76/22/531537622.db2.gz KRLDIGZSCSNYPB-UHFFFAOYSA-N 1 0 387.221 1.440 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659083113 531538076 /nfs/dbraw/zinc/53/80/76/531538076.db2.gz VDAPQYNWEWLDGB-JGVFFNPUSA-N 1 0 376.201 1.875 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c1F ZINC000415831397 531539021 /nfs/dbraw/zinc/53/90/21/531539021.db2.gz JNEGNPJDIKYGMB-SNVBAGLBSA-N 1 0 388.237 1.330 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659099567 531540230 /nfs/dbraw/zinc/54/02/30/531540230.db2.gz HHPJWKVPCAXZLW-UHFFFAOYSA-N 1 0 382.258 1.736 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1Br ZINC000659097821 531540342 /nfs/dbraw/zinc/54/03/42/531540342.db2.gz MMKKZBSBBKZVKZ-UHFFFAOYSA-N 1 0 397.317 1.837 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000558022837 531541280 /nfs/dbraw/zinc/54/12/80/531541280.db2.gz CPXZQEFJPSVEFB-AJNGGQMLSA-N 1 0 385.555 1.604 20 0 GDADRO CS(=O)(=O)c1ccc(OCCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000416012179 531553350 /nfs/dbraw/zinc/55/33/50/531553350.db2.gz SGRZKYWOVZLNAZ-LBPRGKRZSA-N 1 0 383.392 1.048 20 0 GDADRO CC(C)Oc1ncc(Cl)cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415843702 531542239 /nfs/dbraw/zinc/54/22/39/531542239.db2.gz SOQUKANEZRENQX-JTQLQIEISA-N 1 0 382.770 1.857 20 0 GDADRO O=C(CNC(=O)N[C@H](c1cncc(Br)c1)C1CC1)N1CC[NH2+]CC1 ZINC000582231245 531543111 /nfs/dbraw/zinc/54/31/11/531543111.db2.gz WCWSDYCHPLQPSS-HNNXBMFYSA-N 1 0 396.289 1.026 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C[C@H]1[NH3+] ZINC000415848575 531543361 /nfs/dbraw/zinc/54/33/61/531543361.db2.gz VLJYPEQAYRZBGV-BXKDBHETSA-N 1 0 377.242 1.741 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(Cl)cc1Br ZINC000415862790 531545005 /nfs/dbraw/zinc/54/50/05/531545005.db2.gz KUPOIIDGIIPDCW-SECBINFHSA-N 1 0 376.638 1.146 20 0 GDADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)n2)s1 ZINC000415858574 531545387 /nfs/dbraw/zinc/54/53/87/531545387.db2.gz KEHKYXRCRAHOHW-NSHDSACASA-N 1 0 380.495 1.695 20 0 GDADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415864758 531546180 /nfs/dbraw/zinc/54/61/80/531546180.db2.gz HZKBTRFCZYOXTK-SECBINFHSA-N 1 0 376.201 1.924 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415865245 531546443 /nfs/dbraw/zinc/54/64/43/531546443.db2.gz NBOJVKPYWHBMQX-QLJPJBMISA-N 1 0 384.274 1.840 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Br ZINC000415865863 531546796 /nfs/dbraw/zinc/54/67/96/531546796.db2.gz JBYNWMNJBFCSGH-VXGBXAGGSA-N 1 0 396.285 1.854 20 0 GDADRO O=C(NCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccc(Br)cc1 ZINC000582290140 531547334 /nfs/dbraw/zinc/54/73/34/531547334.db2.gz LXVLBHKYLYCSFF-HIFRSBDPSA-N 1 0 395.301 1.572 20 0 GDADRO [NH3+]C1(CNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CCCC1 ZINC000659491112 531547438 /nfs/dbraw/zinc/54/74/38/531547438.db2.gz PLKQKNLOHWVYDA-UHFFFAOYSA-N 1 0 388.921 1.579 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000415878703 531547917 /nfs/dbraw/zinc/54/79/17/531547917.db2.gz NWLIKLWUUGXHDF-GRYCIOLGSA-N 1 0 396.285 1.901 20 0 GDADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)NCC12CC(C1)C[NH2+]2 ZINC000659458421 531548334 /nfs/dbraw/zinc/54/83/34/531548334.db2.gz UNOHXNHICPTXIY-UHFFFAOYSA-N 1 0 391.273 1.785 20 0 GDADRO CC(C)CN(CC[NH+](C)C)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000612322352 531548592 /nfs/dbraw/zinc/54/85/92/531548592.db2.gz OFVGDBNMMUQPDP-UHFFFAOYSA-N 1 0 376.567 1.468 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000415886486 531549537 /nfs/dbraw/zinc/54/95/37/531549537.db2.gz KQVWSVXUBKOSPC-UHFFFAOYSA-N 1 0 388.237 1.147 20 0 GDADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415896275 531549990 /nfs/dbraw/zinc/54/99/90/531549990.db2.gz QOUFHWZFEKYJAT-UHFFFAOYSA-N 1 0 377.750 1.498 20 0 GDADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000551985282 531550216 /nfs/dbraw/zinc/55/02/16/531550216.db2.gz KMCQCNKGOVTVSI-UWVGGRQHSA-N 1 0 379.408 2.274 20 0 GDADRO O=C(Nc1ccc(OC(F)F)c(Cl)c1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415891333 531550352 /nfs/dbraw/zinc/55/03/52/531550352.db2.gz JVYXGXKCNYWSMV-UHFFFAOYSA-N 1 0 375.759 1.081 20 0 GDADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415903907 531550500 /nfs/dbraw/zinc/55/05/00/531550500.db2.gz ZBHRDGWFIBGLAH-UHFFFAOYSA-N 1 0 383.901 1.980 20 0 GDADRO CC[NH2+]Cc1ccccc1NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000415952329 531551507 /nfs/dbraw/zinc/55/15/07/531551507.db2.gz JKDAEHLQZMAOHE-UHFFFAOYSA-N 1 0 382.511 1.958 20 0 GDADRO Cn1cc(I)c(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)n1 ZINC000416010362 531552873 /nfs/dbraw/zinc/55/28/73/531552873.db2.gz OCRAVEBXUWXCFP-UHFFFAOYSA-N 1 0 397.220 1.950 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000415793543 531532900 /nfs/dbraw/zinc/53/29/00/531532900.db2.gz VCTMJQUGKKFRKT-SECBINFHSA-N 1 0 378.256 1.811 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415796426 531533119 /nfs/dbraw/zinc/53/31/19/531533119.db2.gz YVQIQAHZFYINNI-QMMMGPOBSA-N 1 0 395.628 1.737 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415805970 531534369 /nfs/dbraw/zinc/53/43/69/531534369.db2.gz 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391.896 1.622 20 0 GDADRO Cc1nsc(N2CCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)CC2)n1 ZINC000583573739 531585796 /nfs/dbraw/zinc/58/57/96/531585796.db2.gz DNQQTGIUHRHWBX-HNNXBMFYSA-N 1 0 381.571 1.713 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000451301138 531585888 /nfs/dbraw/zinc/58/58/88/531585888.db2.gz MZHODOJXDUNESM-YESZJQIVSA-N 1 0 394.603 1.631 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000660026642 531586629 /nfs/dbraw/zinc/58/66/29/531586629.db2.gz IAABPISMCIVTSZ-OAHLLOKOSA-N 1 0 385.917 1.568 20 0 GDADRO C[C@@H]1CN(C(=O)c2nn(C)cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000494131945 531588072 /nfs/dbraw/zinc/58/80/72/531588072.db2.gz YVQZOQKZTDFJEN-OCCSQVGLSA-N 1 0 384.322 1.281 20 0 GDADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)C1 ZINC000660026430 531587522 /nfs/dbraw/zinc/58/75/22/531587522.db2.gz GQXBCCQHRINZIC-LBPRGKRZSA-N 1 0 389.905 1.471 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCOC(C)(C)C 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531603933 /nfs/dbraw/zinc/60/39/33/531603933.db2.gz NABSUGLDRBOEGF-GOEBONIOSA-N 1 0 393.281 1.875 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC(NS(=O)(=O)CCC)CC1 ZINC000583987152 531606349 /nfs/dbraw/zinc/60/63/49/531606349.db2.gz ANTMETBXEBTJKW-HNNXBMFYSA-N 1 0 376.567 1.610 20 0 GDADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000281347585 531606658 /nfs/dbraw/zinc/60/66/58/531606658.db2.gz DNIUASNOJNEMBA-UHFFFAOYSA-N 1 0 399.289 1.031 20 0 GDADRO CCCN(C)CC(C)(C)NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC000660108573 531606736 /nfs/dbraw/zinc/60/67/36/531606736.db2.gz XUHMTUUTOOFUSA-UHFFFAOYSA-N 1 0 376.544 1.630 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000637131543 531607641 /nfs/dbraw/zinc/60/76/41/531607641.db2.gz WOIDRAPSJUEPGH-HUUCEWRRSA-N 1 0 383.290 1.661 20 0 GDADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000615091135 531610969 /nfs/dbraw/zinc/61/09/69/531610969.db2.gz IINGTCIXBAMDKH-ZDUSSCGKSA-N 1 0 385.306 1.747 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000269127585 531612014 /nfs/dbraw/zinc/61/20/14/531612014.db2.gz GIAGDLQDDWCCRQ-NSHDSACASA-N 1 0 375.878 1.251 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)C[C@@H]1O ZINC000615078576 531610214 /nfs/dbraw/zinc/61/02/14/531610214.db2.gz JDJQUBHOUKZGSP-WDSKDSINSA-N 1 0 385.155 1.752 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(Cl)cc1 ZINC000584048400 531610358 /nfs/dbraw/zinc/61/03/58/531610358.db2.gz OQLVVJORLRSWKY-CQSZACIVSA-N 1 0 377.890 1.260 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000269144580 531615786 /nfs/dbraw/zinc/61/57/86/531615786.db2.gz YDFZAPGWQAFSPG-CYBMUJFWSA-N 1 0 375.288 1.184 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H](C)S1 ZINC000559961783 531614429 /nfs/dbraw/zinc/61/44/29/531614429.db2.gz IIKNVNVWUMNFRA-GASCZTMLSA-N 1 0 385.599 1.817 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1I)C[NH+](C)C ZINC000559972375 531617542 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COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1OC ZINC000592370590 531782088 /nfs/dbraw/zinc/78/20/88/531782088.db2.gz XUKYJZOGYYXCNL-ZWNOBZJWSA-N 1 0 390.889 1.883 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)NCCC(=O)N(C)Cc2ccccc2Br)C1 ZINC000417591600 531782430 /nfs/dbraw/zinc/78/24/30/531782430.db2.gz XEWAGMUTVUPXHZ-CQSZACIVSA-N 1 0 397.317 1.801 20 0 GDADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCc2ccc(Br)cc21 ZINC000667629112 531782703 /nfs/dbraw/zinc/78/27/03/531782703.db2.gz IPSNXUYYMWXAHT-TZMCWYRMSA-N 1 0 378.270 1.549 20 0 GDADRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)n1 ZINC000592367483 531782757 /nfs/dbraw/zinc/78/27/57/531782757.db2.gz XRWDYQZUAQCWCW-UHFFFAOYSA-N 1 0 387.458 1.439 20 0 GDADRO NS(=O)(=O)c1ccc(OCCSCc2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000592356928 531782801 /nfs/dbraw/zinc/78/28/01/531782801.db2.gz LPKMWYSWNLZUSK-CYBMUJFWSA-N 1 0 384.483 1.454 20 0 GDADRO C[C@H]1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000417404194 531768564 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COc1cc(Br)c(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000417448364 531775041 /nfs/dbraw/zinc/77/50/41/531775041.db2.gz UIQVBDHSXMHZHE-TXEJJXNPSA-N 1 0 384.274 1.827 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000667278435 531775612 /nfs/dbraw/zinc/77/56/12/531775612.db2.gz QAOFEAKFTDNMNJ-SSDOTTSWSA-N 1 0 378.629 1.987 20 0 GDADRO COc1ccc(Br)c(Cn2cc(CCN3CC[NH2+]CC3)nn2)c1 ZINC000641058831 531775695 /nfs/dbraw/zinc/77/56/95/531775695.db2.gz WMMOVHMTNUASRU-UHFFFAOYSA-N 1 0 380.290 1.545 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417476988 531776025 /nfs/dbraw/zinc/77/60/25/531776025.db2.gz CELBBMKBJFJVFB-IUODEOHRSA-N 1 0 397.317 1.866 20 0 GDADRO COc1ccc(Br)cc1CC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452371588 531776069 /nfs/dbraw/zinc/77/60/69/531776069.db2.gz UARJVXCGBPQYNR-OAHLLOKOSA-N 1 0 385.302 1.963 20 0 GDADRO [NH3+]C[C@H](O)CCc1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641105620 531777208 /nfs/dbraw/zinc/77/72/08/531777208.db2.gz RSCXBEAQUZWCQK-HUUCEWRRSA-N 1 0 394.273 1.271 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)COc2ccc(I)cc2)CCO1 ZINC000592310655 531777283 /nfs/dbraw/zinc/77/72/83/531777283.db2.gz XGFUVMZFUXIGIM-GWCFXTLKSA-N 1 0 390.221 1.245 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N[C@H](C)CC[NH3+])s1 ZINC000417499567 531778203 /nfs/dbraw/zinc/77/82/03/531778203.db2.gz FIQPJDONLXQMEH-GFCCVEGCSA-N 1 0 376.548 1.358 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418086807 531801032 /nfs/dbraw/zinc/80/10/32/531801032.db2.gz DZDRGNJLNBORSG-OSAQELSMSA-N 1 0 395.301 1.981 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000269901515 531801165 /nfs/dbraw/zinc/80/11/65/531801165.db2.gz ZECIOXGUSUAVNL-CYBMUJFWSA-N 1 0 392.905 1.762 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000269904919 531801182 /nfs/dbraw/zinc/80/11/82/531801182.db2.gz ZGVGUIFWMDTCEY-ZDUSSCGKSA-N 1 0 376.450 1.247 20 0 GDADRO CN(CCC[NH3+])Cc1cn(Cc2nc3ccc(Br)cc3n2C)nn1 ZINC000641176341 531783560 /nfs/dbraw/zinc/78/35/60/531783560.db2.gz ZZGONLRKMXNTDH-UHFFFAOYSA-N 1 0 392.305 1.756 20 0 GDADRO COCC[C@@H]([NH3+])Cc1cn(C[C@@H](O)COc2cccc(Br)c2)nn1 ZINC000641195852 531784949 /nfs/dbraw/zinc/78/49/49/531784949.db2.gz JQRNJALIMULNBQ-UKRRQHHQSA-N 1 0 399.289 1.387 20 0 GDADRO CSC1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCOCC1 ZINC000417755973 531785312 /nfs/dbraw/zinc/78/53/12/531785312.db2.gz COVPQOMHDANHKK-GFCCVEGCSA-N 1 0 384.468 1.034 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC1 ZINC000417847142 531786767 /nfs/dbraw/zinc/78/67/67/531786767.db2.gz ZGJYMNIRCPTLDQ-SNVBAGLBSA-N 1 0 376.770 1.938 20 0 GDADRO CCOC(=O)c1sc([C@H](C)NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)nc1C ZINC000417889751 531789306 /nfs/dbraw/zinc/78/93/06/531789306.db2.gz PKNAZVMNJBEZKZ-VHSXEESVSA-N 1 0 376.429 1.986 20 0 GDADRO COCC[N@H+](C)C[C@H](O)Cn1cc(COc2cccc(Br)c2)nn1 ZINC000641222415 531789753 /nfs/dbraw/zinc/78/97/53/531789753.db2.gz KQUFIVVXCNYVAI-HNNXBMFYSA-N 1 0 399.289 1.559 20 0 GDADRO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)CC1(O)CCS(=O)(=O)CC1 ZINC000511088787 531790036 /nfs/dbraw/zinc/79/00/36/531790036.db2.gz CMRMHXOHAQHPEG-UHFFFAOYSA-N 1 0 381.416 1.999 20 0 GDADRO C[NH2+]CCCNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417920998 531790535 /nfs/dbraw/zinc/79/05/35/531790535.db2.gz ZQTFNXBUEXOLRM-UHFFFAOYSA-N 1 0 385.306 1.694 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000366941065 531792397 /nfs/dbraw/zinc/79/23/97/531792397.db2.gz OPPNDDLJNRWXBG-KRWDZBQOSA-N 1 0 386.539 1.384 20 0 GDADRO C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)C[N@@H+]1C1CC1 ZINC000623020667 531792372 /nfs/dbraw/zinc/79/23/72/531792372.db2.gz QTGVOHQMLGMECF-JQWIXIFHSA-N 1 0 391.273 1.780 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000282757689 531792670 /nfs/dbraw/zinc/79/26/70/531792670.db2.gz WRBAGBMHOZEREL-UHFFFAOYSA-N 1 0 394.310 1.504 20 0 GDADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000562973442 531792835 /nfs/dbraw/zinc/79/28/35/531792835.db2.gz DTDAPGKBCLVVGL-NSHDSACASA-N 1 0 386.315 1.478 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)o2)C1 ZINC000297470799 531794007 /nfs/dbraw/zinc/79/40/07/531794007.db2.gz BFXJHWWLVARPMQ-LBPRGKRZSA-N 1 0 386.290 1.801 20 0 GDADRO O=C(CSCc1cc(=O)n2ccsc2n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562979385 531794233 /nfs/dbraw/zinc/79/42/33/531794233.db2.gz RFVOBACEGVNPSF-QGZVFWFLSA-N 1 0 378.523 1.591 20 0 GDADRO C[NH+](C)Cc1ccc(C(=O)NCCn2cc(Br)ccc2=O)cn1 ZINC000452726753 531794786 /nfs/dbraw/zinc/79/47/86/531794786.db2.gz FWRQFXXMCKLVGV-UHFFFAOYSA-N 1 0 379.258 1.497 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000562979966 531794973 /nfs/dbraw/zinc/79/49/73/531794973.db2.gz YNOJPAYWBZBNGR-RBSFLKMASA-N 1 0 385.555 1.925 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N(C)[C@H](C)C[NH3+])C2=O)ccc1Br ZINC000418014037 531797782 /nfs/dbraw/zinc/79/77/82/531797782.db2.gz NSYLSZFHWGFXTB-RISCZKNCSA-N 1 0 383.290 1.851 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418061109 531798681 /nfs/dbraw/zinc/79/86/81/531798681.db2.gz CYFGMOWJVDEFMP-YPMHNXCESA-N 1 0 385.306 1.722 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](C[NH3+])C3)nc12 ZINC000418021248 531799135 /nfs/dbraw/zinc/79/91/35/531799135.db2.gz PDBFVCDOIIEASV-LBPRGKRZSA-N 1 0 380.290 1.938 20 0 GDADRO O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)Nc1ccc(Br)cn1 ZINC000367020389 531800378 /nfs/dbraw/zinc/80/03/78/531800378.db2.gz MXWRGCIDHOQYBA-AAEUAGOBSA-N 1 0 381.274 1.773 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(CN2CCC(CO)([NH2+]CC3CC3)CC2)s1 ZINC000563217831 531818287 /nfs/dbraw/zinc/81/82/87/531818287.db2.gz QAKCLPNAVZCNNZ-UHFFFAOYSA-N 1 0 387.571 1.325 20 0 GDADRO C[C@H]1CN(CC(=O)NCc2ccc(Cl)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367032065 531802399 /nfs/dbraw/zinc/80/23/99/531802399.db2.gz XZMOMLKMRYLBIB-GOEBONIOSA-N 1 0 384.977 1.976 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418149899 531805181 /nfs/dbraw/zinc/80/51/81/531805181.db2.gz PZPLHBZKJWTQNP-CYBMUJFWSA-N 1 0 376.910 1.291 20 0 GDADRO COCC(COC)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000641331202 531806232 /nfs/dbraw/zinc/80/62/32/531806232.db2.gz UUUYMADVOXEJAQ-UHFFFAOYSA-N 1 0 380.576 1.319 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCCN(C=O)CC1 ZINC000297632743 531806491 /nfs/dbraw/zinc/80/64/91/531806491.db2.gz MDOQGOBACFYQQW-CQSZACIVSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000563102411 531807166 /nfs/dbraw/zinc/80/71/66/531807166.db2.gz XXDORKFXDGZVGV-SNVBAGLBSA-N 1 0 395.261 1.383 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC1([NH3+])CCC1 ZINC000563086237 531807390 /nfs/dbraw/zinc/80/73/90/531807390.db2.gz DXKCXMSLMYQPIZ-OAHLLOKOSA-N 1 0 385.555 1.393 20 0 GDADRO CS(=O)(=O)c1cc(CNC(=O)N2CCC[C@H]([NH3+])C2)cc(C(F)(F)F)c1 ZINC000418157440 531808636 /nfs/dbraw/zinc/80/86/36/531808636.db2.gz BQBRLPURQWIBLZ-LBPRGKRZSA-N 1 0 379.404 1.742 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418159871 531808827 /nfs/dbraw/zinc/80/88/27/531808827.db2.gz RMKPLAIVZCJEAY-QWRGUYRKSA-N 1 0 392.884 1.136 20 0 GDADRO C[S@](=O)Cc1cccc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000563109509 531808998 /nfs/dbraw/zinc/80/89/98/531808998.db2.gz IZCWJMPHPWCPLW-PWECECGKSA-N 1 0 377.432 1.131 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000563134812 531810351 /nfs/dbraw/zinc/81/03/51/531810351.db2.gz FHMRRMGTSNUELX-SKDRFNHKSA-N 1 0 375.878 1.583 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418165771 531810595 /nfs/dbraw/zinc/81/05/95/531810595.db2.gz ILBVLJQHPCYYOJ-MFKMUULPSA-N 1 0 392.884 1.055 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1OC ZINC000563129057 531811187 /nfs/dbraw/zinc/81/11/87/531811187.db2.gz UMAGBYVBODOIOP-PWSUYJOCSA-N 1 0 390.889 1.931 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000623396015 531812136 /nfs/dbraw/zinc/81/21/36/531812136.db2.gz FVCROULEFJODHA-ZIAGYGMSSA-N 1 0 383.290 1.759 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000515844127 531812147 /nfs/dbraw/zinc/81/21/47/531812147.db2.gz PLGHEBPKQKEICZ-KOLCDFICSA-N 1 0 375.878 1.665 20 0 GDADRO CNC(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623377721 531812274 /nfs/dbraw/zinc/81/22/74/531812274.db2.gz HLDMSBKSZWHFTE-UHFFFAOYSA-N 1 0 390.311 1.930 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000563140213 531812245 /nfs/dbraw/zinc/81/22/45/531812245.db2.gz BVASQJGORQEVFT-SRVKXCTJSA-N 1 0 386.290 1.575 20 0 GDADRO CCN1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CC1 ZINC000367139183 531812365 /nfs/dbraw/zinc/81/23/65/531812365.db2.gz VHVRPCVCWFGJKI-UHFFFAOYSA-N 1 0 389.905 1.425 20 0 GDADRO NS(=O)(=O)C1CCN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000367141528 531812886 /nfs/dbraw/zinc/81/28/86/531812886.db2.gz QGRGIJAHMGTBJX-UHFFFAOYSA-N 1 0 397.831 1.633 20 0 GDADRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000563139064 531813102 /nfs/dbraw/zinc/81/31/02/531813102.db2.gz YIOVXKOVQYYZBX-FZMZJTMJSA-N 1 0 378.238 1.915 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000563164947 531813617 /nfs/dbraw/zinc/81/36/17/531813617.db2.gz VFCPMORDMDNSCA-CQSZACIVSA-N 1 0 380.297 1.469 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000418179506 531814471 /nfs/dbraw/zinc/81/44/71/531814471.db2.gz GHGZLCGNRTZQEG-LLVKDONJSA-N 1 0 398.863 1.208 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)CCO1 ZINC000669505929 531814920 /nfs/dbraw/zinc/81/49/20/531814920.db2.gz VRMFIACREVRRSU-LALPHHSUSA-N 1 0 386.290 1.974 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000563160308 531815024 /nfs/dbraw/zinc/81/50/24/531815024.db2.gz NIQLGZUWVKUHGJ-LBPRGKRZSA-N 1 0 392.319 1.217 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000669584021 531815750 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C[NH2+]C[C@@H](C)CNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000418398339 531825344 /nfs/dbraw/zinc/82/53/44/531825344.db2.gz WIMKYIXSHFZCHL-BXUZGUMPSA-N 1 0 383.290 1.487 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000453718746 531825771 /nfs/dbraw/zinc/82/57/71/531825771.db2.gz WMCLKVCELDAANO-ZDUSSCGKSA-N 1 0 381.274 1.786 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000418492202 531826272 /nfs/dbraw/zinc/82/62/72/531826272.db2.gz PGDQJKFMVQHGFN-WDEREUQCSA-N 1 0 376.270 1.633 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000297838367 531826630 /nfs/dbraw/zinc/82/66/30/531826630.db2.gz LOSAGTAMUOWQNS-GOSISDBHSA-N 1 0 394.313 1.962 20 0 GDADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000418323325 531821290 /nfs/dbraw/zinc/82/12/90/531821290.db2.gz UNKYIZBRBZEZKU-CABCVRRESA-N 1 0 384.318 1.899 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)s1 ZINC000517405379 531821685 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CC[C@@H]([NH3+])CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000418735957 531835507 /nfs/dbraw/zinc/83/55/07/531835507.db2.gz UAWWAGHYBBGRBK-ZWNOBZJWSA-N 1 0 376.270 1.776 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000563421890 531835669 /nfs/dbraw/zinc/83/56/69/531835669.db2.gz XAQYJXZWMJZNAE-SQWLQELKSA-N 1 0 394.313 1.960 20 0 GDADRO C[NH+](C)CCCN(C(=O)Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000283169510 531835832 /nfs/dbraw/zinc/83/58/32/531835832.db2.gz KNWQVIVCBFHONK-GFCCVEGCSA-N 1 0 378.947 1.911 20 0 GDADRO O=C(NC[C@@H](CO)Cc1c(F)cccc1Cl)N[C@H]1C[NH2+]CCC1(F)F ZINC000418752065 531837571 /nfs/dbraw/zinc/83/75/71/531837571.db2.gz SFVFHPOSRVLUNP-HZMBPMFUSA-N 1 0 379.810 1.927 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000418781925 531839236 /nfs/dbraw/zinc/83/92/36/531839236.db2.gz MQIHETVCEXEEOW-IINYFYTJSA-N 1 0 384.274 1.318 20 0 GDADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000624369453 531839661 /nfs/dbraw/zinc/83/96/61/531839661.db2.gz FPFPEIJYLBZXLK-JTQLQIEISA-N 1 0 381.267 1.553 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1Br ZINC000453826362 531830498 /nfs/dbraw/zinc/83/04/98/531830498.db2.gz WEVGUVQWGJYDDZ-LBPRGKRZSA-N 1 0 399.289 1.054 20 0 GDADRO CCC(CC)Nc1cc[nH+]cc1NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000563393099 531831838 /nfs/dbraw/zinc/83/18/38/531831838.db2.gz ABAOCHALEBQCQF-UHFFFAOYSA-N 1 0 382.511 1.994 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418836358 531849489 /nfs/dbraw/zinc/84/94/89/531849489.db2.gz USMAFRMNFSJZHO-OSAQELSMSA-N 1 0 380.286 1.632 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000418839880 531850523 /nfs/dbraw/zinc/85/05/23/531850523.db2.gz ZJPWLLFESJAGLS-AVGNSLFASA-N 1 0 398.276 1.900 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418839833 531850950 /nfs/dbraw/zinc/85/09/50/531850950.db2.gz DEJAILVJCFKWTM-UHFFFAOYSA-N 1 0 381.274 1.444 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CCN2C1=O ZINC000563548879 531851394 /nfs/dbraw/zinc/85/13/94/531851394.db2.gz AQZQHPTZCXTKPH-SKDRFNHKSA-N 1 0 391.686 1.829 20 0 GDADRO COC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000641750707 531851446 /nfs/dbraw/zinc/85/14/46/531851446.db2.gz OLNQYSREYHVMPP-HNNXBMFYSA-N 1 0 393.311 1.801 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418841473 531852190 /nfs/dbraw/zinc/85/21/90/531852190.db2.gz ZBHYYQRDLPPYOH-SOUVJXGZSA-N 1 0 380.286 1.680 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418846697 531852499 /nfs/dbraw/zinc/85/24/99/531852499.db2.gz SMKKVXPEZXXBCK-KCPJHIHWSA-N 1 0 382.302 1.882 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)NCCC(C)(C)[NH3+])CC1 ZINC000641817569 531852748 /nfs/dbraw/zinc/85/27/48/531852748.db2.gz JYLDJZMRJSTYFV-UHFFFAOYSA-N 1 0 399.337 1.845 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)Cc2cccc(Br)c2)C1 ZINC000418846320 531853304 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COc1cc(OC)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000624390450 531841145 /nfs/dbraw/zinc/84/11/45/531841145.db2.gz BYNFOJNWICHWJV-YGRLFVJLSA-N 1 0 382.404 1.852 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418807681 531842251 /nfs/dbraw/zinc/84/22/51/531842251.db2.gz JULDEQIFILQDIH-TYNCELHUSA-N 1 0 398.276 1.819 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000624404211 531842377 /nfs/dbraw/zinc/84/23/77/531842377.db2.gz KJCHCHPHGAMXDX-ONGXEEELSA-N 1 0 375.878 1.726 20 0 GDADRO Cc1sc(Br)nc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000298022096 531842687 /nfs/dbraw/zinc/84/26/87/531842687.db2.gz CITPILFAVIRNON-SECBINFHSA-N 1 0 375.292 1.284 20 0 GDADRO C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C[NH2+]1 ZINC000624405032 531842710 /nfs/dbraw/zinc/84/27/10/531842710.db2.gz ANSYKSMHZKQFDI-MNOVXSKESA-N 1 0 376.320 1.934 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000418804511 531843000 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377.242 1.314 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418819416 531845676 /nfs/dbraw/zinc/84/56/76/531845676.db2.gz DBIOVJNQLBHLAZ-YODMDTAWSA-N 1 0 380.286 1.617 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@@H]12 ZINC000418824877 531847533 /nfs/dbraw/zinc/84/75/33/531847533.db2.gz DIRKFLHQZGXDSQ-DPZJBDQQSA-N 1 0 392.297 1.617 20 0 GDADRO Cn1c(=O)cc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)n(C)c1=O ZINC000298072460 531848252 /nfs/dbraw/zinc/84/82/52/531848252.db2.gz HBYFPATXMCLPIE-AWEZNQCLSA-N 1 0 382.258 1.012 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000418932167 531866133 /nfs/dbraw/zinc/86/61/33/531866133.db2.gz FZHBFAKGQLENRH-PWSUYJOCSA-N 1 0 386.315 1.524 20 0 GDADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000298227638 531866457 /nfs/dbraw/zinc/86/64/57/531866457.db2.gz WPHCHLAIDHMRSY-UHFFFAOYSA-N 1 0 382.507 1.630 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000642980584 531866642 /nfs/dbraw/zinc/86/66/42/531866642.db2.gz HRDSYOQVXSBBAX-HNNXBMFYSA-N 1 0 380.286 1.592 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418931762 531866794 /nfs/dbraw/zinc/86/67/94/531866794.db2.gz CCJGYYADGVRABA-QWHCGFSZSA-N 1 0 398.301 1.530 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000418940989 531867532 /nfs/dbraw/zinc/86/75/32/531867532.db2.gz UMIRGNJEZXRRRQ-CYBMUJFWSA-N 1 0 394.313 1.794 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C[C@@H]1[NH+](C)C ZINC000270424072 531868690 /nfs/dbraw/zinc/86/86/90/531868690.db2.gz DQQRAQNDULXSMU-GJZGRUSLSA-N 1 0 382.917 1.987 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Br)cn1 ZINC000418858961 531855865 /nfs/dbraw/zinc/85/58/65/531855865.db2.gz AHXJFIXLLBHDCQ-RTXFEEFZSA-N 1 0 381.274 1.374 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367716250 531856238 /nfs/dbraw/zinc/85/62/38/531856238.db2.gz AOYJFCIHOYSFLO-LSDHHAIUSA-N 1 0 385.555 1.749 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)CC1 ZINC000418853849 531856345 /nfs/dbraw/zinc/85/63/45/531856345.db2.gz YIMDJAZEBPJNOW-UHFFFAOYSA-N 1 0 386.265 1.444 20 0 GDADRO CN1CCN(C(=O)N[C@@H]2CSc3ccc(Br)cc32)[C@@H](C[NH3+])C1 ZINC000563592606 531856521 /nfs/dbraw/zinc/85/65/21/531856521.db2.gz BWEMNPONARMSEA-WCQYABFASA-N 1 0 385.331 1.880 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418878714 531860552 /nfs/dbraw/zinc/86/05/52/531860552.db2.gz AULJPBBSLRKZTO-PELKAZGASA-N 1 0 386.221 1.088 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642724325 531863323 /nfs/dbraw/zinc/86/33/23/531863323.db2.gz BIKFUDHOKYSHFV-FZMZJTMJSA-N 1 0 396.285 1.284 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418922051 531863473 /nfs/dbraw/zinc/86/34/73/531863473.db2.gz DGABHDRCSKUSNM-YWPYICTPSA-N 1 0 398.276 1.709 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642712843 531863721 /nfs/dbraw/zinc/86/37/21/531863721.db2.gz TUCVBYHGEVYOCT-WFASDCNBSA-N 1 0 398.301 1.257 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418918799 531863941 /nfs/dbraw/zinc/86/39/41/531863941.db2.gz DECDJCBWHJWDPC-KRWDZBQOSA-N 1 0 398.276 1.459 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2cncc(I)c2)CCSC1 ZINC000270385649 531864078 /nfs/dbraw/zinc/86/40/78/531864078.db2.gz HBVHQBIAUUYVAP-ZDUSSCGKSA-N 1 0 391.278 1.853 20 0 GDADRO C[C@@H]([NH2+]C1CC1)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000563808798 531864296 /nfs/dbraw/zinc/86/42/96/531864296.db2.gz RDKWQGIWNGWZOF-CYBMUJFWSA-N 1 0 385.555 1.722 20 0 GDADRO CN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)C1CC[NH+](C)CC1 ZINC000298213071 531864714 /nfs/dbraw/zinc/86/47/14/531864714.db2.gz YEZHGZWJWFNWCZ-UHFFFAOYSA-N 1 0 390.303 1.263 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NCC[NH2+]C1CC1)CC2 ZINC000642919273 531865730 /nfs/dbraw/zinc/86/57/30/531865730.db2.gz VGYJDEUIPJDQCT-UHFFFAOYSA-N 1 0 380.286 1.510 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418949312 531870474 /nfs/dbraw/zinc/87/04/74/531870474.db2.gz NZAREPMXHFUAAC-WFASDCNBSA-N 1 0 398.301 1.578 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCOc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000418946708 531870810 /nfs/dbraw/zinc/87/08/10/531870810.db2.gz LULOALJNIRJQJP-STQMWFEESA-N 1 0 398.301 1.448 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cccc(F)c1I ZINC000595244780 531871121 /nfs/dbraw/zinc/87/11/21/531871121.db2.gz MGXSBVYODIRXEV-ZETCQYMHSA-N 1 0 379.173 1.093 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000595243769 531871436 /nfs/dbraw/zinc/87/14/36/531871436.db2.gz HQKDBTDUXVHXSA-ZETCQYMHSA-N 1 0 395.628 1.607 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1I ZINC000564967695 531872495 /nfs/dbraw/zinc/87/24/95/531872495.db2.gz RINCRTUWHLLBJO-GFCCVEGCSA-N 1 0 380.251 1.615 20 0 GDADRO O=C(NCc1nc2c(cccc2Br)[nH]1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418960825 531872477 /nfs/dbraw/zinc/87/24/77/531872477.db2.gz AHJFHHTXGPDWPN-SNVBAGLBSA-N 1 0 394.273 1.200 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H]1[NH+](C)C ZINC000270471473 531875439 /nfs/dbraw/zinc/87/54/39/531875439.db2.gz CHTOUBOCDYIDTL-HOTGVXAUSA-N 1 0 383.539 1.480 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000283565511 531875475 /nfs/dbraw/zinc/87/54/75/531875475.db2.gz ZMTKNJXFMHKDLS-VIFPVBQESA-N 1 0 378.292 1.037 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000283577476 531875821 /nfs/dbraw/zinc/87/58/21/531875821.db2.gz ORMKBDVRFFFIOW-GFCCVEGCSA-N 1 0 380.286 1.832 20 0 GDADRO Cc1cc(CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)ccc1Br ZINC000418984994 531875886 /nfs/dbraw/zinc/87/58/86/531875886.db2.gz DVEFPLVWHRFZAW-UHFFFAOYSA-N 1 0 380.286 1.800 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000418982001 531876334 /nfs/dbraw/zinc/87/63/34/531876334.db2.gz APWWBJIMJHEFRM-GXTWGEPZSA-N 1 0 382.302 1.694 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000418997336 531877017 /nfs/dbraw/zinc/87/70/17/531877017.db2.gz UCHGWYGHRZPQPC-BXUZGUMPSA-N 1 0 382.302 1.817 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418992663 531877502 /nfs/dbraw/zinc/87/75/02/531877502.db2.gz OIBSKNAUCFTQRO-IUODEOHRSA-N 1 0 382.302 1.836 20 0 GDADRO Cc1csc(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000283598401 531878224 /nfs/dbraw/zinc/87/82/24/531878224.db2.gz WLHRYZYBKUQXCL-UHFFFAOYSA-N 1 0 382.555 1.546 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000419009734 531878276 /nfs/dbraw/zinc/87/82/76/531878276.db2.gz NXYJIPKKTCAEOH-NSHDSACASA-N 1 0 386.290 1.703 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1Br ZINC000419010466 531878360 /nfs/dbraw/zinc/87/83/60/531878360.db2.gz PRLFWLKYQIYTTQ-SUNKGSAMSA-N 1 0 398.301 1.831 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000419007440 531878613 /nfs/dbraw/zinc/87/86/13/531878613.db2.gz JUPWYMVXSDLXPB-UHIISALHSA-N 1 0 398.301 1.749 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1Br ZINC000419002609 531878691 /nfs/dbraw/zinc/87/86/91/531878691.db2.gz CEXARDQUHLMXOS-UTUOFQBUSA-N 1 0 398.301 1.844 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CCOC[C@@H](O)C3)nc12 ZINC000298345512 531879744 /nfs/dbraw/zinc/87/97/44/531879744.db2.gz PAHMWAFUZXBUFL-AWEZNQCLSA-N 1 0 397.273 1.350 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419017905 531881897 /nfs/dbraw/zinc/88/18/97/531881897.db2.gz GRFQBUHFJLAPCD-WFASDCNBSA-N 1 0 382.302 1.755 20 0 GDADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)CCc2c(F)cccc2F)CCCO1 ZINC000625157882 531882030 /nfs/dbraw/zinc/88/20/30/531882030.db2.gz RSCIHAVGPDGQGD-CQSZACIVSA-N 1 0 376.469 1.928 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419028160 531883140 /nfs/dbraw/zinc/88/31/40/531883140.db2.gz WIEFSGDJKQTYKV-CQSZACIVSA-N 1 0 396.285 1.647 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419035065 531884558 /nfs/dbraw/zinc/88/45/58/531884558.db2.gz FECSZWQWIJCXHQ-FOSCPWQOSA-N 1 0 384.249 1.604 20 0 GDADRO CN(CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)S(C)(=O)=O ZINC000673770504 531883307 /nfs/dbraw/zinc/88/33/07/531883307.db2.gz LZQOBMYWNINAJZ-OAHLLOKOSA-N 1 0 390.937 1.523 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)Nc1cc(Cl)ccc1Cl ZINC000298391416 531883850 /nfs/dbraw/zinc/88/38/50/531883850.db2.gz DQMPVGLTYDENGQ-INIZCTEOSA-N 1 0 385.251 1.996 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CC[NH2+]1 ZINC000419046973 531891101 /nfs/dbraw/zinc/89/11/01/531891101.db2.gz ZHBAFRWQQUEYFT-GYSYKLTISA-N 1 0 396.285 1.646 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC[NH2+]1 ZINC000419046976 531891208 /nfs/dbraw/zinc/89/12/08/531891208.db2.gz ZHBAFRWQQUEYFT-JTNHKYCSSA-N 1 0 396.285 1.646 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419050186 531891273 /nfs/dbraw/zinc/89/12/73/531891273.db2.gz CYOZPAFJEPHQQA-SKDRFNHKSA-N 1 0 388.693 1.833 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419052418 531892172 /nfs/dbraw/zinc/89/21/72/531892172.db2.gz HUQHNKXIJXAEML-JHJVBQTASA-N 1 0 382.302 1.705 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000419051727 531892354 /nfs/dbraw/zinc/89/23/54/531892354.db2.gz GQCJKSUAYMLJNU-HZMBPMFUSA-N 1 0 388.281 1.735 20 0 GDADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000566728372 531893120 /nfs/dbraw/zinc/89/31/20/531893120.db2.gz NDEWDCMNMREQQH-NWDGAFQWSA-N 1 0 387.311 1.142 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419054664 531893856 /nfs/dbraw/zinc/89/38/56/531893856.db2.gz MMNOAHZCJDSTIT-BPLDGKMQSA-N 1 0 394.313 1.564 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419056350 531894919 /nfs/dbraw/zinc/89/49/19/531894919.db2.gz QUTSVRRRBVCATI-GXTWGEPZSA-N 1 0 384.318 1.858 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000419064546 531896095 /nfs/dbraw/zinc/89/60/95/531896095.db2.gz IDGGAPLCJFBCBL-UHFFFAOYSA-N 1 0 382.302 1.880 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000298495590 531896038 /nfs/dbraw/zinc/89/60/38/531896038.db2.gz NXPDZRJDFPXSSG-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)CC[NH2+]1 ZINC000419065820 531896132 /nfs/dbraw/zinc/89/61/32/531896132.db2.gz IZWBLLPMBQFISM-RNCFNFMXSA-N 1 0 388.693 1.975 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000283794112 531897065 /nfs/dbraw/zinc/89/70/65/531897065.db2.gz APXIILMOMVINCN-CYBMUJFWSA-N 1 0 394.278 1.805 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000419076975 531898083 /nfs/dbraw/zinc/89/80/83/531898083.db2.gz IKDKJMCRYPPOES-CYBMUJFWSA-N 1 0 394.313 1.665 20 0 GDADRO O=C(NCc1cc(Cl)cc(Br)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419078542 531898241 /nfs/dbraw/zinc/89/82/41/531898241.db2.gz ZBLQRAAFISJMHG-PHIMTYICSA-N 1 0 386.677 1.397 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000419081822 531898920 /nfs/dbraw/zinc/89/89/20/531898920.db2.gz SIYGMKSYUBLCNN-KRWDZBQOSA-N 1 0 394.313 1.794 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595962022 531899260 /nfs/dbraw/zinc/89/92/60/531899260.db2.gz OGJWIIWLLPCJJU-HOTGVXAUSA-N 1 0 391.603 1.286 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2ccc(I)cn2)CCSC1 ZINC000455873913 531886044 /nfs/dbraw/zinc/88/60/44/531886044.db2.gz LQCBKVXROGDNEY-ZDUSSCGKSA-N 1 0 391.278 1.853 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C[C@H](C)[NH2+]1 ZINC000419038641 531886218 /nfs/dbraw/zinc/88/62/18/531886218.db2.gz FWOBEAYGVOSBHA-AOOOYVTPSA-N 1 0 375.803 1.766 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419041595 531887225 /nfs/dbraw/zinc/88/72/25/531887225.db2.gz NTOWTCAORNCHDL-RISCZKNCSA-N 1 0 396.285 1.647 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC[NH2+]1 ZINC000419040134 531887649 /nfs/dbraw/zinc/88/76/49/531887649.db2.gz MDENYNFZEMOPCC-ZWNOBZJWSA-N 1 0 382.258 1.209 20 0 GDADRO CC[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1nc(C(F)(F)F)cs1 ZINC000419043653 531888660 /nfs/dbraw/zinc/88/86/60/531888660.db2.gz OGLMHBYVEYGJLC-NXEZZACHSA-N 1 0 378.420 1.988 20 0 GDADRO O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647872649 531899454 /nfs/dbraw/zinc/89/94/54/531899454.db2.gz NOEMRESJQYKCED-GFCCVEGCSA-N 1 0 378.325 1.909 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419044428 531890004 /nfs/dbraw/zinc/89/00/04/531890004.db2.gz PVYCSCUFYYTHPH-BBBLOLIVSA-N 1 0 378.420 1.938 20 0 GDADRO Cc1cccc(S(=O)(=O)NCCC[N@@H+](C)CCN(C)C)c1Br ZINC000566701075 531890572 /nfs/dbraw/zinc/89/05/72/531890572.db2.gz UMTDLVJIJHDABZ-UHFFFAOYSA-N 1 0 392.363 1.919 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419051014 531891028 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CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000648589305 531913498 /nfs/dbraw/zinc/91/34/98/531913498.db2.gz MMXOACSICAGUQK-NEPJUHHUSA-N 1 0 398.301 1.660 20 0 GDADRO CCCN(C(=O)C(=O)NCCc1ccc(Br)s1)[C@H]1CC[NH2+]C1 ZINC000419112846 531901083 /nfs/dbraw/zinc/90/10/83/531901083.db2.gz KPOHDMITGVEZNJ-NSHDSACASA-N 1 0 388.331 1.770 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)NCCc2ccc(Br)s2)CCC[NH2+]C1 ZINC000419113635 531901169 /nfs/dbraw/zinc/90/11/69/531901169.db2.gz LRFQWUPZNBYEPA-OAHLLOKOSA-N 1 0 388.331 1.675 20 0 GDADRO C[NH+](C)[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@@H]1O ZINC000647886307 531901274 /nfs/dbraw/zinc/90/12/74/531901274.db2.gz LMHJHAFDNKMPPK-QWRGUYRKSA-N 1 0 383.695 1.398 20 0 GDADRO [NH3+]CCNC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000419106920 531901380 /nfs/dbraw/zinc/90/13/80/531901380.db2.gz KCQSTLAOSJQZFL-SNVBAGLBSA-N 1 0 382.180 1.634 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419132036 531903017 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GDADRO C[C@H]1CCCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)[C@H]1C[NH3+] ZINC000419260538 531919589 /nfs/dbraw/zinc/91/95/89/531919589.db2.gz OGHYPESGRFGKHP-WFASDCNBSA-N 1 0 398.301 1.530 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[NH2+]CC2)ccc1Br ZINC000368533112 531919721 /nfs/dbraw/zinc/91/97/21/531919721.db2.gz YIOSVAFVNSOMGY-NSHDSACASA-N 1 0 375.288 1.725 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419261113 531919933 /nfs/dbraw/zinc/91/99/33/531919933.db2.gz PPXLAKDVXNJGEN-OLZOCXBDSA-N 1 0 396.285 1.012 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419304125 531922802 /nfs/dbraw/zinc/92/28/02/531922802.db2.gz UHBOQUATYNXSFF-BMIGLBTASA-N 1 0 382.302 1.796 20 0 GDADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000456592463 531923321 /nfs/dbraw/zinc/92/33/21/531923321.db2.gz YXXBLRCAPYGADG-LLVKDONJSA-N 1 0 388.295 1.685 20 0 GDADRO CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000649378542 531926404 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1.516 20 0 GDADRO CN(C(=O)C(=O)NCCc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000419211292 531915447 /nfs/dbraw/zinc/91/54/47/531915447.db2.gz WWQZBYVRXDERKU-CQSZACIVSA-N 1 0 382.302 1.708 20 0 GDADRO CC[N@@H+]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000677195560 531915448 /nfs/dbraw/zinc/91/54/48/531915448.db2.gz OPHVMORBKLUWGQ-CYBMUJFWSA-N 1 0 397.317 1.530 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000283964152 531915517 /nfs/dbraw/zinc/91/55/17/531915517.db2.gz LWKYDTDSHWRNEJ-UHFFFAOYSA-N 1 0 384.274 1.744 20 0 GDADRO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)N1CCC1 ZINC000298757460 531916127 /nfs/dbraw/zinc/91/61/27/531916127.db2.gz PZWHPNVZXTYSJD-LBPRGKRZSA-N 1 0 381.274 1.727 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419238669 531916633 /nfs/dbraw/zinc/91/66/33/531916633.db2.gz DJPIPTNUBSJSSJ-MFKMUULPSA-N 1 0 398.326 1.828 20 0 GDADRO O=C(CC[NH2+]C1CC1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000568768483 531916780 /nfs/dbraw/zinc/91/67/80/531916780.db2.gz VIXJBTPPLWFUGW-UHFFFAOYSA-N 1 0 391.946 1.767 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C[C@@H](C)[NH2+]1 ZINC000419244162 531916800 /nfs/dbraw/zinc/91/68/00/531916800.db2.gz JVTYAPJCTMGEHU-BREBYQMCSA-N 1 0 398.326 1.921 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)Cc1cccc(Br)c1 ZINC000419357049 531928770 /nfs/dbraw/zinc/92/87/70/531928770.db2.gz GXNNNKWEKRQREC-WBMJQRKESA-N 1 0 396.329 1.988 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419359781 531930048 /nfs/dbraw/zinc/93/00/48/531930048.db2.gz QXZFVGXJGJUIPY-ZWNOBZJWSA-N 1 0 384.274 1.188 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419409005 531930961 /nfs/dbraw/zinc/93/09/61/531930961.db2.gz YLOIPSMSXJWHHK-NXEZZACHSA-N 1 0 375.256 1.079 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(O)c(Br)c2)[C@H]1C[NH3+] ZINC000419410669 531932032 /nfs/dbraw/zinc/93/20/32/531932032.db2.gz OQKREHRLRGAJJK-MFKMUULPSA-N 1 0 384.274 1.357 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(O)c(Br)c3)C[C@H]21 ZINC000419415501 531932076 /nfs/dbraw/zinc/93/20/76/531932076.db2.gz VGLBOLDLVCAXMP-OUCADQQQSA-N 1 0 396.285 1.357 20 0 GDADRO COc1cc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc(OC)c1Br ZINC000626479684 531932294 /nfs/dbraw/zinc/93/22/94/531932294.db2.gz PFEUTQYBJJSMOG-NSHDSACASA-N 1 0 388.262 1.654 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000419446605 531933034 /nfs/dbraw/zinc/93/30/34/531933034.db2.gz SYIIJOGFTASQMY-UHFFFAOYSA-N 1 0 380.189 1.002 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000419446626 531933329 /nfs/dbraw/zinc/93/33/29/531933329.db2.gz TVWHAVGBUSGGRX-KRWDZBQOSA-N 1 0 396.285 1.286 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Br ZINC000419447693 531933538 /nfs/dbraw/zinc/93/35/38/531933538.db2.gz VQJIVFVPTLJZDA-CHWSQXEVSA-N 1 0 396.285 1.142 20 0 GDADRO COC[C@H](C)OC[C@H](O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000683659634 531935666 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GDADRO COCc1csc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000626861946 531938921 /nfs/dbraw/zinc/93/89/21/531938921.db2.gz UZVLPQSQDGDUIB-SCZZXKLOSA-N 1 0 380.392 1.214 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000626863153 531939114 /nfs/dbraw/zinc/93/91/14/531939114.db2.gz AFTFVEJUWVCSMI-QWHCGFSZSA-N 1 0 384.249 1.734 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419352547 531928448 /nfs/dbraw/zinc/92/84/48/531928448.db2.gz IPKKYOZLUVHMIP-UHFFFAOYSA-N 1 0 398.301 1.852 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)Oc1ccccc1Br ZINC000419611969 531941341 /nfs/dbraw/zinc/94/13/41/531941341.db2.gz LGVLJZMZECDZFW-YVEFUNNKSA-N 1 0 398.301 1.530 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccccc2Br)C1 ZINC000419612936 531941429 /nfs/dbraw/zinc/94/14/29/531941429.db2.gz MRBIAFALQHFTRW-UPJWGTAASA-N 1 0 398.301 1.528 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)Oc1ccccc1Br ZINC000419609160 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1.553 20 0 GDADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1OC ZINC000419704143 531958834 /nfs/dbraw/zinc/95/88/34/531958834.db2.gz XHFQPGWLHAZLBY-UHFFFAOYSA-N 1 0 376.226 1.603 20 0 GDADRO CS(=O)(=O)c1cccc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000655129496 531963023 /nfs/dbraw/zinc/96/30/23/531963023.db2.gz ANBMEXDQKGSHKP-INIZCTEOSA-N 1 0 382.551 1.924 20 0 GDADRO CS(=O)(=O)c1cccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000655129499 531963079 /nfs/dbraw/zinc/96/30/79/531963079.db2.gz ANBMEXDQKGSHKP-MRXNPFEDSA-N 1 0 382.551 1.924 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C[C@@H]1C[NH3+] ZINC000419732828 531963606 /nfs/dbraw/zinc/96/36/06/531963606.db2.gz SXAVHEAHHCCFHL-GBIKHYSHSA-N 1 0 386.279 1.986 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCn1cc(Br)ccc1=O ZINC000572339965 531963618 /nfs/dbraw/zinc/96/36/18/531963618.db2.gz VVAGGJYMZBGJPV-JSGCOSHPSA-N 1 0 385.306 1.592 20 0 GDADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419674881 531952476 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C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000419762014 531966661 /nfs/dbraw/zinc/96/66/61/531966661.db2.gz QYXBHMNOGJWRRE-OLZOCXBDSA-N 1 0 385.295 1.509 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)s1 ZINC000271108778 531967567 /nfs/dbraw/zinc/96/75/67/531967567.db2.gz PGYNLTSESKUISB-SKDRFNHKSA-N 1 0 394.540 1.209 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000419784766 531968661 /nfs/dbraw/zinc/96/86/61/531968661.db2.gz VGKKQIWIQYGMQD-DGCLKSJQSA-N 1 0 398.301 1.845 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419784182 531968907 /nfs/dbraw/zinc/96/89/07/531968907.db2.gz ULYIEFXLVZEZEO-SUNKGSAMSA-N 1 0 398.301 1.831 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419781022 531969514 /nfs/dbraw/zinc/96/95/14/531969514.db2.gz PERYAWUGFAUCGF-SRVKXCTJSA-N 1 0 398.301 1.831 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000299240436 531970516 /nfs/dbraw/zinc/97/05/16/531970516.db2.gz ULZACURRGUKDHU-LBPRGKRZSA-N 1 0 379.404 1.351 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000419857613 531979017 /nfs/dbraw/zinc/97/90/17/531979017.db2.gz GSGPQBMRRLHWEY-CQSZACIVSA-N 1 0 384.274 1.270 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000299267947 531971681 /nfs/dbraw/zinc/97/16/81/531971681.db2.gz HICRFRPFYPINFF-AWEZNQCLSA-N 1 0 385.555 1.540 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271147247 531971956 /nfs/dbraw/zinc/97/19/56/531971956.db2.gz WTAMPQIOJRMLIY-GFCCVEGCSA-N 1 0 389.905 1.166 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419822946 531973801 /nfs/dbraw/zinc/97/38/01/531973801.db2.gz OMHLSPGGGAEOGM-LBPRGKRZSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)NCCC[NH3+] ZINC000419843810 531976313 /nfs/dbraw/zinc/97/63/13/531976313.db2.gz YDQJEOFSZVQEGQ-BXUZGUMPSA-N 1 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531994072 /nfs/dbraw/zinc/99/40/72/531994072.db2.gz PWGIQXSOJOKQIU-CYBMUJFWSA-N 1 0 394.313 1.840 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419856472 531979626 /nfs/dbraw/zinc/97/96/26/531979626.db2.gz FEQCIVPXGWSQMO-CYBMUJFWSA-N 1 0 384.274 1.270 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419883616 531980897 /nfs/dbraw/zinc/98/08/97/531980897.db2.gz WHMUEIMGDVLUQN-UHFFFAOYSA-N 1 0 386.265 1.933 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000419882551 531981168 /nfs/dbraw/zinc/98/11/68/531981168.db2.gz XYDCOZGMLNNSIX-UHFFFAOYSA-N 1 0 398.301 1.292 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419889075 531982254 /nfs/dbraw/zinc/98/22/54/531982254.db2.gz KRTIRXWVVVDAGV-CYBMUJFWSA-N 1 0 384.274 1.284 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1Br ZINC000370103916 531982276 /nfs/dbraw/zinc/98/22/76/531982276.db2.gz SGUAWCDWAYRLTC-MFKMUULPSA-N 1 0 375.288 1.830 20 0 GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419900348 531983840 /nfs/dbraw/zinc/98/38/40/531983840.db2.gz QNUZNQGVUIUBED-KGLIPLIRSA-N 1 0 394.313 1.981 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419898383 531984059 /nfs/dbraw/zinc/98/40/59/531984059.db2.gz WXIZMIITHOPLSV-NWDGAFQWSA-N 1 0 380.286 1.763 20 0 GDADRO Cc1nn2c(C[NH2+]CC3CCN(S(=O)(=O)C(F)F)CC3)c(C)nc2s1 ZINC000271224565 531984213 /nfs/dbraw/zinc/98/42/13/531984213.db2.gz OKXQUZQKPKERFZ-UHFFFAOYSA-N 1 0 393.485 1.762 20 0 GDADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Br)cs1 ZINC000573437389 531984463 /nfs/dbraw/zinc/98/44/63/531984463.db2.gz IJZBXBDFCRFWQQ-RISCZKNCSA-N 1 0 386.315 1.887 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1nnnn1-c1ccccc1Br)C2 ZINC000629585332 531985000 /nfs/dbraw/zinc/98/50/00/531985000.db2.gz RQKWTXBJPRATDQ-IYBDPMFKSA-N 1 0 377.290 1.856 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000419917705 531985149 /nfs/dbraw/zinc/98/51/49/531985149.db2.gz SHQHEPMIXHCQDH-LBPRGKRZSA-N 1 0 396.285 1.286 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284740291 531986642 /nfs/dbraw/zinc/98/66/42/531986642.db2.gz HOZVFGZGBLIOTI-UHFFFAOYSA-N 1 0 398.301 1.497 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000419934969 531987871 /nfs/dbraw/zinc/98/78/71/531987871.db2.gz CEFSKORWESFGAX-IUODEOHRSA-N 1 0 397.317 1.563 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000419945090 531989884 /nfs/dbraw/zinc/98/98/84/531989884.db2.gz BZEPJVCIXRUMHH-GFCCVEGCSA-N 1 0 380.286 1.776 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000419974009 531991609 /nfs/dbraw/zinc/99/16/09/531991609.db2.gz IQPRYIUIVRAZPC-RISCZKNCSA-N 1 0 398.301 1.703 20 0 GDADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])C3)cs1 ZINC000420009509 531996301 /nfs/dbraw/zinc/99/63/01/531996301.db2.gz VXOFRGHWMNBZOQ-JTQLQIEISA-N 1 0 378.523 1.918 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 ZINC000420013736 531996480 /nfs/dbraw/zinc/99/64/80/531996480.db2.gz MHNYLCWDNWMECX-SKDRFNHKSA-N 1 0 386.315 1.908 20 0 GDADRO Cc1nn(C)c(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1C(F)F ZINC000657072241 531996761 /nfs/dbraw/zinc/99/67/61/531996761.db2.gz YIBNRRNVZXDCTP-NSHDSACASA-N 1 0 381.493 1.216 20 0 GDADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420026782 531997894 /nfs/dbraw/zinc/99/78/94/531997894.db2.gz BLAOWSFHKADLIE-DIFFPNOSSA-N 1 0 390.311 1.931 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)ccc1Cl ZINC000631098041 531999718 /nfs/dbraw/zinc/99/97/18/531999718.db2.gz JHPQTILDDNFQJK-LLVKDONJSA-N 1 0 399.822 1.630 20 0 GDADRO Cc1nc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)sc1Br ZINC000458928733 532000639 /nfs/dbraw/zinc/00/06/39/532000639.db2.gz NGNGOQDGQSXIAT-VHSXEESVSA-N 1 0 391.335 1.811 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCc2cccc(Br)c2C1)C1CCCC1 ZINC000420090997 532000591 /nfs/dbraw/zinc/00/05/91/532000591.db2.gz UHFQYXLIHWJXOI-INIZCTEOSA-N 1 0 394.313 1.968 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420087329 532000736 /nfs/dbraw/zinc/00/07/36/532000736.db2.gz FJGJNPITPNUIQR-UHFFFAOYSA-N 1 0 384.274 1.414 20 0 GDADRO Cc1nc(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)sc1Br ZINC000458932723 532001523 /nfs/dbraw/zinc/00/15/23/532001523.db2.gz RFLNSSIHTNGVJT-VHSXEESVSA-N 1 0 391.335 1.811 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(F)c3Cl)CCN2C1=O ZINC000574927597 532004165 /nfs/dbraw/zinc/00/41/65/532004165.db2.gz PFCNMMRURGZXEG-CBAPKCEASA-N 1 0 382.244 1.065 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000420123372 532004373 /nfs/dbraw/zinc/00/43/73/532004373.db2.gz NKWYZFYJIJTAFG-GFCCVEGCSA-N 1 0 396.289 1.347 20 0 GDADRO COC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000599101681 532004422 /nfs/dbraw/zinc/00/44/22/532004422.db2.gz NYKVYQNSUSJOKU-AAEUAGOBSA-N 1 0 380.388 1.621 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000420133592 532004585 /nfs/dbraw/zinc/00/45/85/532004585.db2.gz CNTPVRWRQPGLHT-JMSVASOKSA-N 1 0 398.301 1.462 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1F ZINC000599099658 532004721 /nfs/dbraw/zinc/00/47/21/532004721.db2.gz IPNBZQQSQJRHAU-GWCFXTLKSA-N 1 0 376.425 1.889 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000599105569 532006240 /nfs/dbraw/zinc/00/62/40/532006240.db2.gz YVLABCKZRFNRBU-KOLCDFICSA-N 1 0 381.376 1.016 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420135828 532006343 /nfs/dbraw/zinc/00/63/43/532006343.db2.gz VSXJPBUPCUFNPI-SWLSCSKDSA-N 1 0 382.302 1.973 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599102921 532006730 /nfs/dbraw/zinc/00/67/30/532006730.db2.gz RDCCZGMONKCJKT-JGVFFNPUSA-N 1 0 387.405 1.078 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000420179824 532007555 /nfs/dbraw/zinc/00/75/55/532007555.db2.gz GOOOBGMOTFXZFB-NSHDSACASA-N 1 0 376.284 1.865 20 0 GDADRO O=c1c(Br)cn(Cc2ccccc2)c(=O)n1CC[C@@H]1CC[NH2+]C1 ZINC000574982346 532007602 /nfs/dbraw/zinc/00/76/02/532007602.db2.gz XZQJDDRFXBNFKQ-ZDUSSCGKSA-N 1 0 378.270 1.820 20 0 GDADRO O=C(NCCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000574975081 532008093 /nfs/dbraw/zinc/00/80/93/532008093.db2.gz GKMCWWQDTYUGQJ-KRWDZBQOSA-N 1 0 395.301 1.574 20 0 GDADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCN([C@@H]2CCOC2)CC1 ZINC000371155827 532009887 /nfs/dbraw/zinc/00/98/87/532009887.db2.gz ORKHZSMYMLINCJ-UKRRQHHQSA-N 1 0 381.270 1.858 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000420212943 532009946 /nfs/dbraw/zinc/00/99/46/532009946.db2.gz UMQUPWZLVAZSAT-ZWNOBZJWSA-N 1 0 398.276 1.717 20 0 GDADRO CNC(=O)CN1CCCN(C(=O)c2cc(OC)c(Br)s2)CC1 ZINC000371162998 532008892 /nfs/dbraw/zinc/00/88/92/532008892.db2.gz FJJWZJNDHYSRAF-UHFFFAOYSA-N 1 0 390.303 1.413 20 0 GDADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420201376 532008977 /nfs/dbraw/zinc/00/89/77/532008977.db2.gz OKKBNOGNQMHEFH-MFKMUULPSA-N 1 0 386.279 1.544 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000420212940 532009405 /nfs/dbraw/zinc/00/94/05/532009405.db2.gz UMQUPWZLVAZSAT-GWCFXTLKSA-N 1 0 398.276 1.717 20 0 GDADRO CC(C)C[C@H](NS(=O)(=O)C[C@H]1CCC(F)(F)C1)C(=O)NCC[NH+](C)C ZINC000632150677 532011821 /nfs/dbraw/zinc/01/18/21/532011821.db2.gz KLFADWNPULXJRI-KBPBESRZSA-N 1 0 383.505 1.434 20 0 GDADRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284965563 532011954 /nfs/dbraw/zinc/01/19/54/532011954.db2.gz XJSOJOWJCINIOC-QGZVFWFLSA-N 1 0 395.301 1.576 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000657605540 532012677 /nfs/dbraw/zinc/01/26/77/532012677.db2.gz PQPFPFCSDZOQRL-QCZZGDTMSA-N 1 0 380.279 1.921 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000420429536 532012793 /nfs/dbraw/zinc/01/27/93/532012793.db2.gz LZTGLXHSZRCYAO-UFBFGSQYSA-N 1 0 377.260 1.346 20 0 GDADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420445916 532012989 /nfs/dbraw/zinc/01/29/89/532012989.db2.gz ASUOUUMQAFQLFS-OCCSQVGLSA-N 1 0 392.905 1.411 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420450480 532014572 /nfs/dbraw/zinc/01/45/72/532014572.db2.gz HJEFMZCVYAFYQJ-ONGXEEELSA-N 1 0 380.388 1.898 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCO[C@H]2CC2(F)F)cc1Br ZINC000657618514 532014599 /nfs/dbraw/zinc/01/45/99/532014599.db2.gz GLOZMAXRBKYGIK-NSHDSACASA-N 1 0 385.230 1.610 20 0 GDADRO COc1cc(NC(=O)C(=O)NCC[NH+](C)C)c(Cl)cc1Br ZINC000657631218 532013868 /nfs/dbraw/zinc/01/38/68/532013868.db2.gz AIULKTLOVSLIKI-UHFFFAOYSA-N 1 0 378.654 1.727 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000420448834 532013888 /nfs/dbraw/zinc/01/38/88/532013888.db2.gz MHAIFTCTUUFSLZ-NSHDSACASA-N 1 0 378.292 1.200 20 0 GDADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccncc2I)C1 ZINC000459472748 532017159 /nfs/dbraw/zinc/01/71/59/532017159.db2.gz CHEOLCDEYAZPES-LLVKDONJSA-N 1 0 388.253 1.962 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000420452498 532015707 /nfs/dbraw/zinc/01/57/07/532015707.db2.gz JIIPBFUHYQJHGA-KBPBESRZSA-N 1 0 389.543 1.123 20 0 GDADRO COc1cc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1Br ZINC000420466732 532019085 /nfs/dbraw/zinc/01/90/85/532019085.db2.gz BENGXAOKPVGRME-JTQLQIEISA-N 1 0 379.276 1.196 20 0 GDADRO O=c1[nH]cc(S(=O)(=O)NC[C@H]2CSCCN2Cc2ccccc2)s1 ZINC000632276767 532019102 /nfs/dbraw/zinc/01/91/02/532019102.db2.gz VMDRTQKHSWQDFD-ZDUSSCGKSA-N 1 0 385.536 1.745 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000420459127 532017947 /nfs/dbraw/zinc/01/79/47/532017947.db2.gz JVSCLSHICAJCII-GFCCVEGCSA-N 1 0 390.303 1.214 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)nc3)[C@H]2C1 ZINC000371492929 532017968 /nfs/dbraw/zinc/01/79/68/532017968.db2.gz KRBSAIJQISQEFO-YPMHNXCESA-N 1 0 379.404 1.737 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000371537285 532019273 /nfs/dbraw/zinc/01/92/73/532019273.db2.gz IBFQMDRRYGDQTR-GOOCMWNKSA-N 1 0 375.535 1.834 20 0 GDADRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1)C(F)F ZINC000420469612 532020418 /nfs/dbraw/zinc/02/04/18/532020418.db2.gz VVACALDFZIJVJU-GXFFZTMASA-N 1 0 382.404 1.502 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1(c2cccc(Br)c2)CCC1 ZINC000576276424 532019856 /nfs/dbraw/zinc/01/98/56/532019856.db2.gz KUDCSJFRKNHGNZ-OAHLLOKOSA-N 1 0 394.313 1.855 20 0 GDADRO Cc1nnc(SCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)n1N ZINC000299682556 532020637 /nfs/dbraw/zinc/02/06/37/532020637.db2.gz WDRAOUHYBPHYNQ-UHFFFAOYSA-N 1 0 378.527 1.580 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)c3cc(F)c(F)c(F)c3)C2)nn1 ZINC000420484723 532021678 /nfs/dbraw/zinc/02/16/78/532021678.db2.gz YLQUHFWJFFYBKC-SNVBAGLBSA-N 1 0 375.376 1.180 20 0 GDADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000371559789 532021320 /nfs/dbraw/zinc/02/13/20/532021320.db2.gz KVMNCNDECDTPDC-CYBMUJFWSA-N 1 0 384.424 1.083 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000420480790 532021462 /nfs/dbraw/zinc/02/14/62/532021462.db2.gz PLUYGQDHELMQFV-LBPRGKRZSA-N 1 0 385.877 1.425 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000576507335 532022636 /nfs/dbraw/zinc/02/26/36/532022636.db2.gz HQAQMDJJXNOOGV-DOMZBBRYSA-N 1 0 395.301 1.705 20 0 GDADRO NC(=O)Cn1cc(C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)nn1 ZINC000459593005 532023727 /nfs/dbraw/zinc/02/37/27/532023727.db2.gz PWUXVRGMJZABFX-CYBMUJFWSA-N 1 0 378.274 1.591 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000285056742 532025576 /nfs/dbraw/zinc/02/55/76/532025576.db2.gz FGAGOCLGDMANQS-LBPRGKRZSA-N 1 0 383.290 1.877 20 0 GDADRO Cn1nccc1[C@H](CO)NCCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000459758557 532027598 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[NH3+][C@H]1C[C@H]2CN(Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CCN2C1=O ZINC000577963531 532044625 /nfs/dbraw/zinc/04/46/25/532044625.db2.gz DIUGVMYANFKBOT-JSGCOSHPSA-N 1 0 381.267 1.318 20 0 GDADRO COc1ccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1Br ZINC000578438310 532048399 /nfs/dbraw/zinc/04/83/99/532048399.db2.gz BTDQQZLKOHNNPG-ZDUSSCGKSA-N 1 0 384.274 1.332 20 0 GDADRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000420747608 532048900 /nfs/dbraw/zinc/04/89/00/532048900.db2.gz OSBWQJUTBDORIX-UHFFFAOYSA-N 1 0 378.491 1.380 20 0 GDADRO O=C(NC[C@@H](CO)Cc1ccccc1Br)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372873693 532049863 /nfs/dbraw/zinc/04/98/63/532049863.db2.gz QVUNVOCSDXDYTI-WMLDXEAASA-N 1 0 396.329 1.106 20 0 GDADRO CSC1(CNC(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC[NH+](C)CC1 ZINC000462507909 532050204 /nfs/dbraw/zinc/05/02/04/532050204.db2.gz GWGULLKNTWBSDA-LBPRGKRZSA-N 1 0 387.468 1.131 20 0 GDADRO C[C@@H]([NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C(C)(C)C ZINC000271794413 532053746 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389.315 1.969 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)C[C@H]1[NH+](C)C ZINC000330498517 532125846 /nfs/dbraw/zinc/12/58/46/532125846.db2.gz BLCUNSOBQLLRNY-HZPDHXFCSA-N 1 0 385.555 1.491 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000285998199 532125882 /nfs/dbraw/zinc/12/58/82/532125882.db2.gz INUNUAAMLWHNGU-GPCCPHFNSA-N 1 0 389.315 1.969 20 0 GDADRO O=C([C@@H]1SCCc2sccc21)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374526420 532126146 /nfs/dbraw/zinc/12/61/46/532126146.db2.gz IBJQYERQOYSXBT-MRXNPFEDSA-N 1 0 382.551 1.764 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)c1ccsc1 ZINC000374535237 532127280 /nfs/dbraw/zinc/12/72/80/532127280.db2.gz GHTPXOJXVWSHCF-CABCVRRESA-N 1 0 388.559 1.594 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@H]1[NH+](C)C ZINC000330557301 532127685 /nfs/dbraw/zinc/12/76/85/532127685.db2.gz WLCAYEVJXMZASO-ZIAGYGMSSA-N 1 0 391.946 1.829 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000330671864 532129032 /nfs/dbraw/zinc/12/90/32/532129032.db2.gz NGJCDPFQXUGFKV-GFCCVEGCSA-N 1 0 381.420 1.472 20 0 GDADRO C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C1=CC[N@H+](C)CC1 ZINC000273019555 532129094 /nfs/dbraw/zinc/12/90/94/532129094.db2.gz TVSYDMOKEPJKHR-GFCCVEGCSA-N 1 0 385.917 1.971 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425214154 532129130 /nfs/dbraw/zinc/12/91/30/532129130.db2.gz IQAINZUDIGFCBV-LSDHHAIUSA-N 1 0 386.539 1.422 20 0 GDADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000286207649 532136664 /nfs/dbraw/zinc/13/66/64/532136664.db2.gz BUZJREDUCPQZOX-STQMWFEESA-N 1 0 384.274 1.875 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCc1ccsc1Br ZINC000331561728 532150439 /nfs/dbraw/zinc/15/04/39/532150439.db2.gz CNUKEWDGWXUPRZ-CMPLNLGQSA-N 1 0 386.315 1.822 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C[C@@H]1[NH3+] ZINC000331771937 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GDADRO C[C@@H]1C[NH+](CCCNC(=O)c2nc3ccc(Br)cn3n2)C[C@@H](C)O1 ZINC000331473265 532145333 /nfs/dbraw/zinc/14/53/33/532145333.db2.gz WGHFFAVBYPLVRX-VXGBXAGGSA-N 1 0 396.289 1.721 20 0 GDADRO CS[C@H]1CN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)C[C@@H]1[NH+](C)C ZINC000331516902 532147568 /nfs/dbraw/zinc/14/75/68/532147568.db2.gz RYNNUJVVHQMNAG-BBRMVZONSA-N 1 0 381.567 1.861 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3sccc3Br)C[C@H]21 ZINC000331537428 532148221 /nfs/dbraw/zinc/14/82/21/532148221.db2.gz HLVPWXHIVHOLLT-CKYFFXLPSA-N 1 0 386.315 1.713 20 0 GDADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000273408258 532148615 /nfs/dbraw/zinc/14/86/15/532148615.db2.gz MAXHMPBTZPJSDL-UHFFFAOYSA-N 1 0 394.946 1.505 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000286413420 532148958 /nfs/dbraw/zinc/14/89/58/532148958.db2.gz PHDQQYLOTLLHOO-UHFFFAOYSA-N 1 0 399.333 1.737 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000273700698 532165419 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[NH3+]CC1CCN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC1 ZINC000332608640 532200265 /nfs/dbraw/zinc/20/02/65/532200265.db2.gz OMDDBSVGQRDUEH-UHFFFAOYSA-N 1 0 380.286 1.531 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)CC[NH2+]1 ZINC000332618236 532200897 /nfs/dbraw/zinc/20/08/97/532200897.db2.gz QPUQYTSUABLIKD-NEPJUHHUSA-N 1 0 380.286 1.543 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000287318412 532208020 /nfs/dbraw/zinc/20/80/20/532208020.db2.gz KGVZRLCDWBQATN-UHFFFAOYSA-N 1 0 385.383 1.250 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000287321098 532208183 /nfs/dbraw/zinc/20/81/83/532208183.db2.gz OUYKNGUTFGXFNN-UHFFFAOYSA-N 1 0 382.302 1.617 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000332728789 532208581 /nfs/dbraw/zinc/20/85/81/532208581.db2.gz ZCSUQQKIYJOGLC-UKRRQHHQSA-N 1 0 380.286 1.715 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376348613 532208753 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CCn1cc(Br)cc1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428600191 532212973 /nfs/dbraw/zinc/21/29/73/532212973.db2.gz PCCPDQARQQKMRD-ZDUSSCGKSA-N 1 0 397.317 1.555 20 0 GDADRO C[NH+]1CCC(NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000428681555 532215360 /nfs/dbraw/zinc/21/53/60/532215360.db2.gz NYVKJCIRIZXFGV-AWEZNQCLSA-N 1 0 384.318 1.994 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1OC ZINC000333074910 532218443 /nfs/dbraw/zinc/21/84/43/532218443.db2.gz DGGZNQRFDBJWSI-KOLCDFICSA-N 1 0 391.287 1.449 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000332639478 532202426 /nfs/dbraw/zinc/20/24/26/532202426.db2.gz WSUIUBIRHVQDIN-SNVBAGLBSA-N 1 0 384.249 1.293 20 0 GDADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)[C@H](C(F)(F)F)C1 ZINC000332638515 532202739 /nfs/dbraw/zinc/20/27/39/532202739.db2.gz AKMBYRURAICLBK-IJLUTSLNSA-N 1 0 385.452 1.045 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC[NH2+]1 ZINC000333243213 532227029 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GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333135412 532220694 /nfs/dbraw/zinc/22/06/94/532220694.db2.gz CGHJDKBANVEXPN-NSHDSACASA-N 1 0 386.265 1.903 20 0 GDADRO C[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCC[NH2+]C1 ZINC000428998554 532221166 /nfs/dbraw/zinc/22/11/66/532221166.db2.gz RNYYBNVXKSAMNO-WDEREUQCSA-N 1 0 394.269 1.549 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000376674168 532224136 /nfs/dbraw/zinc/22/41/36/532224136.db2.gz UHMHOQGFHFNQSE-HNNXBMFYSA-N 1 0 390.502 1.382 20 0 GDADRO COC(=O)[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1c1ccc(Cl)cc1 ZINC000429184778 532225130 /nfs/dbraw/zinc/22/51/30/532225130.db2.gz UJCJGCRESUPMRQ-JKSUJKDBSA-N 1 0 386.901 1.564 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 ZINC000429222544 532226085 /nfs/dbraw/zinc/22/60/85/532226085.db2.gz RZMLMABWFAYIJX-HOCLYGCPSA-N 1 0 387.571 1.367 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430174446 532244819 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GDADRO C[C@H](C(=O)Nc1cccc(Br)c1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000430632363 532252874 /nfs/dbraw/zinc/25/28/74/532252874.db2.gz XDECQKJXKPOOLP-GFCCVEGCSA-N 1 0 383.290 1.140 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CCO1 ZINC000274824684 532236510 /nfs/dbraw/zinc/23/65/10/532236510.db2.gz TVYBIPDDCRJZSS-MCMMXHMISA-N 1 0 389.315 1.523 20 0 GDADRO CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)CS1 ZINC000377011473 532237969 /nfs/dbraw/zinc/23/79/69/532237969.db2.gz GGWXPXXZPOMVIR-HZPDHXFCSA-N 1 0 377.576 1.148 20 0 GDADRO O=C(c1ccc(Br)s1)N1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000333512012 532238822 /nfs/dbraw/zinc/23/88/22/532238822.db2.gz MDPSCKOWUIWBFC-NSHDSACASA-N 1 0 386.315 1.937 20 0 GDADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2c(Cl)cnn2C)c1 ZINC000429902630 532239164 /nfs/dbraw/zinc/23/91/64/532239164.db2.gz WNFDGDTWTMJNEP-UHFFFAOYSA-N 1 0 386.905 1.835 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)s1 ZINC000333521096 532239191 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388.559 1.510 20 0 GDADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)S(=O)(=O)N(C)CC1CC1 ZINC000431283538 532263802 /nfs/dbraw/zinc/26/38/02/532263802.db2.gz ZLANMZAXNIWWIR-MRXNPFEDSA-N 1 0 375.535 1.313 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377567176 532264245 /nfs/dbraw/zinc/26/42/45/532264245.db2.gz YYRVPYQXBBARGL-CQSZACIVSA-N 1 0 377.919 1.282 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)CCC2CCOCC2)[C@H](C)C1 ZINC000431536294 532266634 /nfs/dbraw/zinc/26/66/34/532266634.db2.gz KDHIOXLJZVVSAE-AEFFLSMTSA-N 1 0 376.563 1.860 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000275198139 532276017 /nfs/dbraw/zinc/27/60/17/532276017.db2.gz CPILPSLZGIBLMC-UHFFFAOYSA-N 1 0 384.274 1.950 20 0 GDADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000288255152 532276509 /nfs/dbraw/zinc/27/65/09/532276509.db2.gz TVJBYLIKYWEKNH-DGCLKSJQSA-N 1 0 381.274 1.868 20 0 GDADRO Cc1ccc(I)cc1N1C(=O)N[C@@H](Cc2c[nH]cn2)C1=O ZINC000348729845 532278555 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COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000382418407 532295113 /nfs/dbraw/zinc/29/51/13/532295113.db2.gz IMUYILNHZBTSSA-NXEZZACHSA-N 1 0 393.303 1.872 20 0 GDADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000288541389 532296217 /nfs/dbraw/zinc/29/62/17/532296217.db2.gz AJEIQSJEZYPKOZ-GFCCVEGCSA-N 1 0 382.258 1.298 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000275481641 532296898 /nfs/dbraw/zinc/29/68/98/532296898.db2.gz JNAMJDOFDZXVNN-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1c(Cl)cccc1Br ZINC000389825424 532297117 /nfs/dbraw/zinc/29/71/17/532297117.db2.gz SCOACXUXIPHICZ-SECBINFHSA-N 1 0 383.695 1.759 20 0 GDADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2nc3cc(Br)cnc3[nH]2)C1(C)C ZINC000275610459 532302546 /nfs/dbraw/zinc/30/25/46/532302546.db2.gz HEUIECXTSSZAKV-BZNIZROVSA-N 1 0 396.289 1.869 20 0 GDADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCn1cc(Br)cn1 ZINC000288714765 532304294 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Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000737222026 599003778 /nfs/dbraw/zinc/00/37/78/599003778.db2.gz SSUFPIAYRWITSK-OAHLLOKOSA-N 1 0 376.486 1.424 20 0 GDADRO OC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738395636 599011216 /nfs/dbraw/zinc/01/12/16/599011216.db2.gz XQPGLRUBZKMINK-WOJBJXKFSA-N 1 0 378.480 1.839 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)Cc1ccccc1 ZINC000736533519 599022560 /nfs/dbraw/zinc/02/25/60/599022560.db2.gz HWSFNCWRZOYAQL-KRWDZBQOSA-N 1 0 379.468 1.945 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000822333078 599051418 /nfs/dbraw/zinc/05/14/18/599051418.db2.gz VVBRIHFNMQQMQN-HNNXBMFYSA-N 1 0 379.468 1.882 20 0 GDADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000737742190 599069255 /nfs/dbraw/zinc/06/92/55/599069255.db2.gz ZYNZWBRONSTWMO-LJQANCHMSA-N 1 0 391.479 1.601 20 0 GDADRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736456696 599070048 /nfs/dbraw/zinc/07/00/48/599070048.db2.gz HMEUMYDKUWKKGD-HOTGVXAUSA-N 1 0 385.472 1.021 20 0 GDADRO COc1ccc(CCC[N@H+](C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737087954 599070651 /nfs/dbraw/zinc/07/06/51/599070651.db2.gz KCNOGLAHBYJWJA-GOSISDBHSA-N 1 0 380.452 1.966 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736292962 599102296 /nfs/dbraw/zinc/10/22/96/599102296.db2.gz SBGJTLNYGCUMAL-HZMBPMFUSA-N 1 0 391.863 1.257 20 0 GDADRO Cc1cccc2oc(CC[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)nc21 ZINC000822340631 599158914 /nfs/dbraw/zinc/15/89/14/599158914.db2.gz AIGPSFRMHNXORQ-LBPRGKRZSA-N 1 0 379.428 1.387 20 0 GDADRO CCOCC[N@@H+]1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)C[C@H]1CC ZINC000736620646 599201736 /nfs/dbraw/zinc/20/17/36/599201736.db2.gz YFIPHXGCSYJYLB-OAGJVSPASA-N 1 0 384.484 1.839 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cccc1-c1nn[nH]n1 ZINC000822052636 607272257 /nfs/dbraw/zinc/27/22/57/607272257.db2.gz FJSVINWUODZTBQ-QGZVFWFLSA-N 1 0 399.499 1.740 20 0 GDADRO Cc1c(NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)cccc1-c1nn[nH]n1 ZINC000822053786 607273122 /nfs/dbraw/zinc/27/31/22/607273122.db2.gz RILQRCAJBLMUBB-UHFFFAOYSA-N 1 0 399.499 1.742 20 0 GDADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000736169577 599248054 /nfs/dbraw/zinc/24/80/54/599248054.db2.gz LFNKFKRSQXIQFE-CVEARBPZSA-N 1 0 384.484 1.968 20 0 GDADRO C[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCN(C)CC1 ZINC000820261348 599258993 /nfs/dbraw/zinc/25/89/93/599258993.db2.gz NGSSRXJOCWUPBE-CABCVRRESA-N 1 0 386.504 1.110 20 0 GDADRO Cc1ccc(NC[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(OCC[NH+](C)C)c1 ZINC000822254620 607317971 /nfs/dbraw/zinc/31/79/71/607317971.db2.gz ODQCRODCYBVAIH-CQSZACIVSA-N 1 0 397.487 1.466 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736458203 599282800 /nfs/dbraw/zinc/28/28/00/599282800.db2.gz XEIIGONDGBKYRB-INIZCTEOSA-N 1 0 385.472 1.576 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736573550 599282840 /nfs/dbraw/zinc/28/28/40/599282840.db2.gz ZOMBHWHAOXCDAP-NSHDSACASA-N 1 0 377.836 1.059 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000821582923 607332482 /nfs/dbraw/zinc/33/24/82/607332482.db2.gz CCXBLSYWIHUCIH-INIZCTEOSA-N 1 0 397.414 1.363 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736479154 598231411 /nfs/dbraw/zinc/23/14/11/598231411.db2.gz BMQKPLQKOCCATN-KRWDZBQOSA-N 1 0 387.463 1.529 20 0 GDADRO CC[N@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)[C@H](C)C(C)C ZINC000736556509 598233187 /nfs/dbraw/zinc/23/31/87/598233187.db2.gz WKLPZZUAWQZDCA-YJYMSZOUSA-N 1 0 385.472 1.958 20 0 GDADRO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000736528967 598236541 /nfs/dbraw/zinc/23/65/41/598236541.db2.gz GPLXFDOMQHAOKG-UHFFFAOYSA-N 1 0 375.452 1.386 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000736637071 598263496 /nfs/dbraw/zinc/26/34/96/598263496.db2.gz ODUAQOIBGQDGJZ-KGLIPLIRSA-N 1 0 387.444 1.250 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735984574 598270719 /nfs/dbraw/zinc/27/07/19/598270719.db2.gz FGIIWDSZNRUQNL-AWEZNQCLSA-N 1 0 387.488 1.760 20 0 GDADRO c1nn2ccccc2c1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000738445696 598285278 /nfs/dbraw/zinc/28/52/78/598285278.db2.gz KQVXXOKMWQDFEX-UHFFFAOYSA-N 1 0 375.440 1.668 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738033493 598294940 /nfs/dbraw/zinc/29/49/40/598294940.db2.gz BPPZPGSWHHDZAZ-FUHWJXTLSA-N 1 0 396.499 1.325 20 0 GDADRO COCC[N@H+](C)CCCNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736988442 598320784 /nfs/dbraw/zinc/32/07/84/598320784.db2.gz NFBIKULWKBANPY-UHFFFAOYSA-N 1 0 383.909 1.775 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@H](Cn2cncn2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737843558 598351412 /nfs/dbraw/zinc/35/14/12/598351412.db2.gz KJNBKEIFNPGILE-AWEZNQCLSA-N 1 0 381.444 1.199 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737006313 598363576 /nfs/dbraw/zinc/36/35/76/598363576.db2.gz FQVMLBPDCIXHCZ-CQSZACIVSA-N 1 0 376.486 1.186 20 0 GDADRO CC[C@H]1C[N@H+](CCn2cccn2)CCN1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736406364 598366136 /nfs/dbraw/zinc/36/61/36/598366136.db2.gz KGQXZZADPBAOND-KRWDZBQOSA-N 1 0 384.463 1.799 20 0 GDADRO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737512161 598368777 /nfs/dbraw/zinc/36/87/77/598368777.db2.gz XCCWGJRSWRTRJQ-AEFFLSMTSA-N 1 0 397.483 1.794 20 0 GDADRO CC(C)(C)CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735602044 598403969 /nfs/dbraw/zinc/40/39/69/598403969.db2.gz KVQGBGBUOVAFHZ-UHFFFAOYSA-N 1 0 399.499 1.177 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2sccc2-c2nn[nH]n2)CC1 ZINC000736860558 598425393 /nfs/dbraw/zinc/42/53/93/598425393.db2.gz 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c1cnn(Cc2ccccc2C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000738432527 598520629 /nfs/dbraw/zinc/52/06/29/598520629.db2.gz IBFHASSMXNZQIV-CQSZACIVSA-N 1 0 390.455 1.140 20 0 GDADRO CC(C)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCCCCC1 ZINC000735710429 598521267 /nfs/dbraw/zinc/52/12/67/598521267.db2.gz TWTKYCUDWXIIIM-WBVHZDCISA-N 1 0 387.536 1.595 20 0 GDADRO CCN(CC)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)CC(C)C ZINC000736534105 598522069 /nfs/dbraw/zinc/52/20/69/598522069.db2.gz LWRBBQYWICCGNW-HUUCEWRRSA-N 1 0 375.525 1.451 20 0 GDADRO Clc1ccc2nc(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cn2c1 ZINC000737574040 598522082 /nfs/dbraw/zinc/52/20/82/598522082.db2.gz PCOFARKDOLTLGR-JTQLQIEISA-N 1 0 384.835 1.196 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000736134210 598522661 /nfs/dbraw/zinc/52/26/61/598522661.db2.gz KGMISZYPIVABNN-NEPJUHHUSA-N 1 0 393.455 1.340 20 0 GDADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000735559613 598523142 /nfs/dbraw/zinc/52/31/42/598523142.db2.gz MILXCWUKJJIBID-OAHLLOKOSA-N 1 0 399.499 1.238 20 0 GDADRO Fc1ccc([C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)[C@@H]2CCCO2)cc1 ZINC000737650220 598527755 /nfs/dbraw/zinc/52/77/55/598527755.db2.gz OFRFEHHRZBCQKF-DQYPLSBCSA-N 1 0 398.446 1.754 20 0 GDADRO CC(C)[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nnc2ccccn21 ZINC000735733258 598528477 /nfs/dbraw/zinc/52/84/77/598528477.db2.gz GKABJRFKFHDRQO-DOMZBBRYSA-N 1 0 393.459 1.135 20 0 GDADRO Cc1[nH]c2ccccc2c1CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737199504 598529940 /nfs/dbraw/zinc/52/99/40/598529940.db2.gz NMJRPNDHIANOAD-ZDUSSCGKSA-N 1 0 377.456 1.727 20 0 GDADRO CC(C)([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C(=O)Nc1ccccc1 ZINC000735677508 598531485 /nfs/dbraw/zinc/53/14/85/598531485.db2.gz CRLYUAMEBAVLBO-LBPRGKRZSA-N 1 0 381.444 1.112 20 0 GDADRO CNC(=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1 ZINC000736877541 598558556 /nfs/dbraw/zinc/55/85/56/598558556.db2.gz NDDWBFCXUFYZJX-UHFFFAOYSA-N 1 0 395.442 1.688 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738054656 598595441 /nfs/dbraw/zinc/59/54/41/598595441.db2.gz RDAGLIWNEWWNFZ-SFHVURJKSA-N 1 0 399.499 1.064 20 0 GDADRO O=C1[C@@H]([NH+]2CCC(n3ccnc3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738289092 598620341 /nfs/dbraw/zinc/62/03/41/598620341.db2.gz GJRRJUROYCPBQM-KRWDZBQOSA-N 1 0 378.440 1.506 20 0 GDADRO O=C([C@@H](O)c1cccnc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737784462 598624786 /nfs/dbraw/zinc/62/47/86/598624786.db2.gz VSUUDYGTGVAOJE-SFHVURJKSA-N 1 0 393.451 1.030 20 0 GDADRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)c1cccs1 ZINC000736757522 598630068 /nfs/dbraw/zinc/63/00/68/598630068.db2.gz BPCCOKYYSZZZGI-ZDUSSCGKSA-N 1 0 393.498 1.290 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736758865 598635533 /nfs/dbraw/zinc/63/55/33/598635533.db2.gz JHEWVSFPQXVMNF-INIZCTEOSA-N 1 0 397.414 1.363 20 0 GDADRO Cc1nnc(N2CC[N@H+](C[C@@H](O)c3ccccc3)[C@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000737520076 598673052 /nfs/dbraw/zinc/67/30/52/598673052.db2.gz HOUATYZXXQDXKG-CXAGYDPISA-N 1 0 394.483 1.518 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736849321 598685058 /nfs/dbraw/zinc/68/50/58/598685058.db2.gz RPUXGXTVLFZSKI-ZDUSSCGKSA-N 1 0 379.424 1.736 20 0 GDADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000737831558 598685254 /nfs/dbraw/zinc/68/52/54/598685254.db2.gz AOTQMLPZFDEGJR-UHFFFAOYSA-N 1 0 384.484 1.970 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000737549596 598697403 /nfs/dbraw/zinc/69/74/03/598697403.db2.gz ZJNNGRWBIOHNOQ-CQSZACIVSA-N 1 0 381.440 1.868 20 0 GDADRO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736870318 598705220 /nfs/dbraw/zinc/70/52/20/598705220.db2.gz HRAUDQDTGCDBRH-QWRGUYRKSA-N 1 0 391.863 1.305 20 0 GDADRO CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000736787165 598708126 /nfs/dbraw/zinc/70/81/26/598708126.db2.gz GZDCLJVTBMYIOW-ZDUSSCGKSA-N 1 0 375.864 1.627 20 0 GDADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000738341821 598711842 /nfs/dbraw/zinc/71/18/42/598711842.db2.gz GFDCKWYUXPUSOL-UHFFFAOYSA-N 1 0 378.502 1.801 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736113441 598725483 /nfs/dbraw/zinc/72/54/83/598725483.db2.gz NXLQCNUHSKRZFH-JQFCIGGWSA-N 1 0 385.472 1.168 20 0 GDADRO O=C([C@@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1)N1CCCC1 ZINC000737792801 598728420 /nfs/dbraw/zinc/72/84/20/598728420.db2.gz TYJQWHRZODXXLG-QGZVFWFLSA-N 1 0 384.484 1.970 20 0 GDADRO CN(C(=O)c1sccc1-c1nn[nH]n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000736853350 598743541 /nfs/dbraw/zinc/74/35/41/598743541.db2.gz WUHQGIHGKHNTOR-CYBMUJFWSA-N 1 0 375.502 1.169 20 0 GDADRO CCn1cnnc1[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736722199 598763946 /nfs/dbraw/zinc/76/39/46/598763946.db2.gz MUEZIJZCBAPFLY-HNNXBMFYSA-N 1 0 395.471 1.686 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735857525 598783100 /nfs/dbraw/zinc/78/31/00/598783100.db2.gz UDFXXJPFLDRXRU-UHFFFAOYSA-N 1 0 387.488 1.760 20 0 GDADRO C[N@H+](CCN1CCN(c2ncccc2-c2nn[nH]n2)CC1)Cc1ccccc1 ZINC000736798929 598797330 /nfs/dbraw/zinc/79/73/30/598797330.db2.gz KJXIQSKYIJDGGL-UHFFFAOYSA-N 1 0 378.484 1.516 20 0 GDADRO OCC[N@H+](CCc1ccccc1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738394887 598797740 /nfs/dbraw/zinc/79/77/40/598797740.db2.gz YTHHLIFENROCHK-SFHVURJKSA-N 1 0 383.452 1.143 20 0 GDADRO COc1ccc([C@H](CO)[N@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737077303 598820574 /nfs/dbraw/zinc/82/05/74/598820574.db2.gz VVLUNTLTUSTFQB-APWZRJJASA-N 1 0 399.451 1.280 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c1-c1nn[nH]n1 ZINC000737189534 599299299 /nfs/dbraw/zinc/29/92/99/599299299.db2.gz NUQGVBRDTVOKGM-QMTHXVAHSA-N 1 0 387.513 1.883 20 0 GDADRO CC[NH+]1CCN(c2ccc(C(=O)NCc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000821277195 599312088 /nfs/dbraw/zinc/31/20/88/599312088.db2.gz RKRKCTKWKHIXJO-UHFFFAOYSA-N 1 0 391.479 1.939 20 0 GDADRO CC(C)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Nc1ccccc1 ZINC000735706696 599332306 /nfs/dbraw/zinc/33/23/06/599332306.db2.gz CNLJPOBTKXDSRT-WMLDXEAASA-N 1 0 381.488 1.831 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)[C@H](C)C1 ZINC000821253578 599347761 /nfs/dbraw/zinc/34/77/61/599347761.db2.gz HLQJNYBWWPQISE-DGCLKSJQSA-N 1 0 398.920 1.871 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000821624985 599362958 /nfs/dbraw/zinc/36/29/58/599362958.db2.gz BZRYXSUXXGAYIX-CYBMUJFWSA-N 1 0 382.465 1.501 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)C1 ZINC000821189592 599372154 /nfs/dbraw/zinc/37/21/54/599372154.db2.gz PQQFMPULRCIDRK-AWEZNQCLSA-N 1 0 378.502 1.528 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(-c4nn[nH]n4)c4ccccc4n3)CC2)C1 ZINC000736858168 599439149 /nfs/dbraw/zinc/43/91/49/599439149.db2.gz QOUPCXDCIRWOOD-HNNXBMFYSA-N 1 0 378.484 1.631 20 0 GDADRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000821723817 599441930 /nfs/dbraw/zinc/44/19/30/599441930.db2.gz JQHXPYRATXGGOL-QGZVFWFLSA-N 1 0 385.424 1.716 20 0 GDADRO CO[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(Cl)c1 ZINC000821676950 599463954 /nfs/dbraw/zinc/46/39/54/599463954.db2.gz KNSSBNCIZOIPOT-IAQYHMDHSA-N 1 0 388.863 1.736 20 0 GDADRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C1 ZINC000820710291 599476324 /nfs/dbraw/zinc/47/63/24/599476324.db2.gz OPTXTPGGIAYNBF-CYBMUJFWSA-N 1 0 393.517 1.438 20 0 GDADRO CCC(CC)[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)N1CCOCC1 ZINC000736337996 599484260 /nfs/dbraw/zinc/48/42/60/599484260.db2.gz NOIHCMYJRSOBOO-SFHVURJKSA-N 1 0 398.515 1.741 20 0 GDADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736509746 599511057 /nfs/dbraw/zinc/51/10/57/599511057.db2.gz LAYFTVZCTJYVDN-UHFFFAOYSA-N 1 0 393.451 1.573 20 0 GDADRO C[NH+](C)C[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CCO1 ZINC000821584784 599538063 /nfs/dbraw/zinc/53/80/63/599538063.db2.gz SFJKKKAMADYRQT-JTQLQIEISA-N 1 0 375.383 1.460 20 0 GDADRO C[N@H+](CCCO)C1CCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000821600557 599577365 /nfs/dbraw/zinc/57/73/65/599577365.db2.gz RYNASRGMRHNIBQ-UHFFFAOYSA-N 1 0 398.471 1.195 20 0 GDADRO c1cc(-c2nnc(CN3CC[C@@H](C[NH+]4CCCC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823737773 599579237 /nfs/dbraw/zinc/57/92/37/599579237.db2.gz KEBRAMQBVZBFBM-AWEZNQCLSA-N 1 0 380.456 1.834 20 0 GDADRO COCCOC[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000821691858 599587247 /nfs/dbraw/zinc/58/72/47/599587247.db2.gz HGGSJFFIXVUPAR-CYBMUJFWSA-N 1 0 385.428 1.402 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1-c1nn[nH]n1 ZINC000822319091 599596903 /nfs/dbraw/zinc/59/69/03/599596903.db2.gz IPZBINNYMSWDMN-CYBMUJFWSA-N 1 0 399.480 1.594 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)c1-c1nn[nH]n1 ZINC000822318941 599602693 /nfs/dbraw/zinc/60/26/93/599602693.db2.gz COXBSDSGVSYYRM-UHFFFAOYSA-N 1 0 393.451 1.362 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000822312303 599602937 /nfs/dbraw/zinc/60/29/37/599602937.db2.gz CXCSZZFXKBNDAX-OCCSQVGLSA-N 1 0 385.472 1.350 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821190128 599607180 /nfs/dbraw/zinc/60/71/80/599607180.db2.gz YVAJOAXDLYRYQK-UHFFFAOYSA-N 1 0 399.377 1.282 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000823359853 599636984 /nfs/dbraw/zinc/63/69/84/599636984.db2.gz TXUKCBOXJIGFJA-UHFFFAOYSA-N 1 0 399.499 1.240 20 0 GDADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000822850575 599641939 /nfs/dbraw/zinc/64/19/39/599641939.db2.gz KVJMJGUOYPKNSK-QFBILLFUSA-N 1 0 392.463 1.932 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821188855 599643463 /nfs/dbraw/zinc/64/34/63/599643463.db2.gz DGEPOZVDFXYURA-CRAIPNDOSA-N 1 0 383.500 1.636 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823360241 599648404 /nfs/dbraw/zinc/64/84/04/599648404.db2.gz XLSXDCWRRUQTIL-UHFFFAOYSA-N 1 0 385.472 1.975 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NCCSCc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820657748 599665830 /nfs/dbraw/zinc/66/58/30/599665830.db2.gz MTEPKGQCAFVRGV-UKRRQHHQSA-N 1 0 389.529 1.882 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821241872 599669053 /nfs/dbraw/zinc/66/90/53/599669053.db2.gz PLIPVSBLYQWLEM-UHFFFAOYSA-N 1 0 387.492 1.095 20 0 GDADRO C[C@@H](CNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCCCC1 ZINC000820261724 599671036 /nfs/dbraw/zinc/67/10/36/599671036.db2.gz PBZMJOHRJPPVFV-HNNXBMFYSA-N 1 0 387.488 1.667 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821268368 599674334 /nfs/dbraw/zinc/67/43/34/599674334.db2.gz VNWZCDNCWRWWNZ-INIZCTEOSA-N 1 0 399.503 1.014 20 0 GDADRO C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358285 599674755 /nfs/dbraw/zinc/67/47/55/599674755.db2.gz MBDVPSYQKKJQAF-KBXCAEBGSA-N 1 0 399.499 1.870 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821242546 599677037 /nfs/dbraw/zinc/67/70/37/599677037.db2.gz VCPQJJYUPJVUFX-UHFFFAOYSA-N 1 0 387.488 1.667 20 0 GDADRO C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820340949 599681612 /nfs/dbraw/zinc/68/16/12/599681612.db2.gz NZHBZGDZBZSMMG-AWEZNQCLSA-N 1 0 387.488 1.416 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000822216301 599699132 /nfs/dbraw/zinc/69/91/32/599699132.db2.gz LHTRTBOLMGGQAZ-UHFFFAOYSA-N 1 0 392.467 1.721 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000825870315 607394577 /nfs/dbraw/zinc/39/45/77/607394577.db2.gz GNENQTSNHQBGPU-UHFFFAOYSA-N 1 0 381.444 1.436 20 0 GDADRO O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000739800318 600395485 /nfs/dbraw/zinc/39/54/85/600395485.db2.gz CPQFKJKUXQOEBE-SFHVURJKSA-N 1 0 387.484 1.205 20 0 GDADRO CN(C(=O)CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccccc1 ZINC000825818022 607488026 /nfs/dbraw/zinc/48/80/26/607488026.db2.gz SNJRKUZDJFMKLZ-UHFFFAOYSA-N 1 0 392.467 1.437 20 0 GDADRO COc1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1-c1nn[nH]n1 ZINC000826194810 607493767 /nfs/dbraw/zinc/49/37/67/607493767.db2.gz WZAOISNYMSIPMC-UHFFFAOYSA-N 1 0 380.456 1.793 20 0 GDADRO O=C(COc1cccc(-c2nn[nH]n2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823044724 607502677 /nfs/dbraw/zinc/50/26/77/607502677.db2.gz ZLSWZJGHFXYVTK-QAPCUYQASA-N 1 0 382.468 1.721 20 0 GDADRO CCN1CCN(C2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3OC)CC2)C1=O ZINC000825459814 607526072 /nfs/dbraw/zinc/52/60/72/607526072.db2.gz NTGZZAQGZMPUMY-UHFFFAOYSA-N 1 0 385.472 1.597 20 0 GDADRO C[NH+](C)CC1CCC(NC(=O)NCCNc2ncccc2-c2nn[nH]n2)CC1 ZINC000825858909 607540518 /nfs/dbraw/zinc/54/05/18/607540518.db2.gz AIBUQOQSCJQMPF-UHFFFAOYSA-N 1 0 387.492 1.093 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c1-c1nn[nH]n1 ZINC000826301467 607547231 /nfs/dbraw/zinc/54/72/31/607547231.db2.gz FVRWCUVAOPTIKG-UONOGXRCSA-N 1 0 376.486 1.422 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000826301521 607547552 /nfs/dbraw/zinc/54/75/52/607547552.db2.gz HIGLEUXOTOXICH-OAHLLOKOSA-N 1 0 390.513 1.814 20 0 GDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000825855499 607558033 /nfs/dbraw/zinc/55/80/33/607558033.db2.gz GQLYLQSOWUSIIT-UHFFFAOYSA-N 1 0 389.435 1.181 20 0 GDADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826491239 607586576 /nfs/dbraw/zinc/58/65/76/607586576.db2.gz YXKGFOYJZQBCAH-UHFFFAOYSA-N 1 0 384.893 1.674 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)C[NH+]1CCCCC1 ZINC000824428537 607593330 /nfs/dbraw/zinc/59/33/30/607593330.db2.gz SOQASNZUBNUDMI-LBPRGKRZSA-N 1 0 382.465 1.406 20 0 GDADRO C[N@H+](CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1)C1CC1 ZINC000825941697 607597664 /nfs/dbraw/zinc/59/76/64/607597664.db2.gz NIGPEVMLFRPWTP-UHFFFAOYSA-N 1 0 390.391 1.258 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000825865582 607609687 /nfs/dbraw/zinc/60/96/87/607609687.db2.gz GUNWXDUSJWWSJZ-UHFFFAOYSA-N 1 0 387.469 1.014 20 0 GDADRO O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000740572283 603251797 /nfs/dbraw/zinc/25/17/97/603251797.db2.gz WQBMHIRVOCDUJI-IAGOWNOFSA-N 1 0 389.500 1.536 20 0 GDADRO COc1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000826198458 607625223 /nfs/dbraw/zinc/62/52/23/607625223.db2.gz YUSGLKMVTFYHRK-HNNXBMFYSA-N 1 0 385.472 1.503 20 0 GDADRO COc1ccc(CNC(=O)N(CC[NH+](C)C)CC(C)C)cc1-c1nn[nH]n1 ZINC000826197965 607626363 /nfs/dbraw/zinc/62/63/63/607626363.db2.gz IJNNQZVOZJIYQJ-UHFFFAOYSA-N 1 0 375.477 1.605 20 0 GDADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000824400874 607648444 /nfs/dbraw/zinc/64/84/44/607648444.db2.gz LWBMSYABXCJGAA-VIFPVBQESA-N 1 0 392.407 1.504 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC000825220037 607652311 /nfs/dbraw/zinc/65/23/11/607652311.db2.gz OVBYOAHEEYRPHF-NEPJUHHUSA-N 1 0 380.449 1.253 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000825856651 607662491 /nfs/dbraw/zinc/66/24/91/607662491.db2.gz ZUKLNKPHHHDLIW-GHMZBOCLSA-N 1 0 384.893 1.671 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000825856654 607662535 /nfs/dbraw/zinc/66/25/35/607662535.db2.gz ZUKLNKPHHHDLIW-WDEREUQCSA-N 1 0 384.893 1.671 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000825855928 607662679 /nfs/dbraw/zinc/66/26/79/607662679.db2.gz MACMBDCRKTWJBJ-RYUDHWBXSA-N 1 0 384.893 1.671 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000826247681 607666911 /nfs/dbraw/zinc/66/69/11/607666911.db2.gz KYEGNWBNXCQYBW-UHFFFAOYSA-N 1 0 377.452 1.965 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000824893273 607667607 /nfs/dbraw/zinc/66/76/07/607667607.db2.gz PVDNLRDELSRNPQ-NXEZZACHSA-N 1 0 382.877 1.424 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000826033810 607673335 /nfs/dbraw/zinc/67/33/35/607673335.db2.gz KNIXMRYMKVBXBC-FZMZJTMJSA-N 1 0 380.449 1.111 20 0 GDADRO CN(c1ccccc1C[NH2+]CCN1CCN(C(=O)[O-])CC1)C1CC[NH+](C)CC1 ZINC000828467122 604374594 /nfs/dbraw/zinc/37/45/94/604374594.db2.gz VIEDHGMXIOXTHR-UHFFFAOYSA-N 1 0 389.544 1.602 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000529473527 649946743 /nfs/dbraw/zinc/94/67/43/649946743.db2.gz UPEPGUSZKUONOU-LBPRGKRZSA-N 1 0 391.896 1.699 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000529534215 649948007 /nfs/dbraw/zinc/94/80/07/649948007.db2.gz ZWACGPWKCJPVNC-HNNXBMFYSA-N 1 0 385.281 1.722 20 0 GDADRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825506397 607747801 /nfs/dbraw/zinc/74/78/01/607747801.db2.gz JKTVQWCLTYRJHN-GUYCJALGSA-N 1 0 386.456 1.448 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@H](Cn3ccnn3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000826476979 607749196 /nfs/dbraw/zinc/74/91/96/607749196.db2.gz SROOWYHNAJPSGO-GXTWGEPZSA-N 1 0 399.484 1.037 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000530034374 649963161 /nfs/dbraw/zinc/96/31/61/649963161.db2.gz VQTVUBJUUWMQOX-OLZOCXBDSA-N 1 0 380.297 1.404 20 0 GDADRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820045585 606081368 /nfs/dbraw/zinc/08/13/68/606081368.db2.gz OADQODRFMRASNW-OAHLLOKOSA-N 1 0 377.880 1.731 20 0 GDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000820722464 606110806 /nfs/dbraw/zinc/11/08/06/606110806.db2.gz IWSKAIHIEHBFAE-HNNXBMFYSA-N 1 0 377.452 1.998 20 0 GDADRO Cn1cc(C[C@@H]2CC[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)cn1 ZINC000822674232 606156259 /nfs/dbraw/zinc/15/62/59/606156259.db2.gz OHIPKAGEQOWVIH-HNNXBMFYSA-N 1 0 389.467 1.986 20 0 GDADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)C1 ZINC000820570623 606166272 /nfs/dbraw/zinc/16/62/72/606166272.db2.gz OQBNJCXZWLQWDE-JSGCOSHPSA-N 1 0 381.444 1.557 20 0 GDADRO CC(C)(CO)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000819987592 606219091 /nfs/dbraw/zinc/21/90/91/606219091.db2.gz AWOQAQHIGRWZOH-UHFFFAOYSA-N 1 0 389.410 1.586 20 0 GDADRO COc1cccc([C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[NH+]2CCCC2)c1 ZINC000821859636 606245390 /nfs/dbraw/zinc/24/53/90/606245390.db2.gz RMOULZFQPMGTRC-KRWDZBQOSA-N 1 0 381.440 1.770 20 0 GDADRO C[C@@H]([NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCOCC1)c1ccccc1 ZINC000820414628 606273325 /nfs/dbraw/zinc/27/33/25/606273325.db2.gz ZTFCZTYRRNXIKS-CQSZACIVSA-N 1 0 395.467 1.825 20 0 GDADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823171128 606275002 /nfs/dbraw/zinc/27/50/02/606275002.db2.gz PKUGNJODSXJQKH-UHFFFAOYSA-N 1 0 375.502 1.676 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000822641544 606289820 /nfs/dbraw/zinc/28/98/20/606289820.db2.gz PISGEJPTJHARHG-UHFFFAOYSA-N 1 0 395.467 1.092 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CCSC1 ZINC000821581899 606301093 /nfs/dbraw/zinc/30/10/93/606301093.db2.gz XOTDLAGXKVFYPS-MRXNPFEDSA-N 1 0 378.527 1.512 20 0 GDADRO C[C@H]1CCCC[C@H]1OCC[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820703592 606309055 /nfs/dbraw/zinc/30/90/55/606309055.db2.gz IDGXALQAKAPQMK-WMLDXEAASA-N 1 0 393.513 1.825 20 0 GDADRO O=C(NCCNc1ncccc1-c1nn[nH]n1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000823206788 606315486 /nfs/dbraw/zinc/31/54/86/606315486.db2.gz VRKUGWCONGDRGI-CQSZACIVSA-N 1 0 384.488 1.444 20 0 GDADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000821002347 606331438 /nfs/dbraw/zinc/33/14/38/606331438.db2.gz WBANTZGAGGSQPE-ZWKOTPCHSA-N 1 0 383.500 1.432 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821159275 606331602 /nfs/dbraw/zinc/33/16/02/606331602.db2.gz ACLDMUCPQYCQRI-GXTWGEPZSA-N 1 0 375.502 1.307 20 0 GDADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820241870 606342348 /nfs/dbraw/zinc/34/23/48/606342348.db2.gz JEORXZHWHCGTCX-SECBINFHSA-N 1 0 392.407 1.504 20 0 GDADRO CC[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1ccccc1F ZINC000820907752 606372153 /nfs/dbraw/zinc/37/21/53/606372153.db2.gz GPUPINAOMWPCTM-RHSMWYFYSA-N 1 0 384.415 1.979 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821584482 606384818 /nfs/dbraw/zinc/38/48/18/606384818.db2.gz GHZXSJPQEKTMJC-UHFFFAOYSA-N 1 0 387.488 1.509 20 0 GDADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000823572189 606404980 /nfs/dbraw/zinc/40/49/80/606404980.db2.gz DBNIUIODFOYCKQ-UHFFFAOYSA-N 1 0 394.476 1.691 20 0 GDADRO CO[C@]1(C)C[C@H]([N@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1(C)C ZINC000821679022 606452531 /nfs/dbraw/zinc/45/25/31/606452531.db2.gz WECPQOGCKCPJBQ-SIXWZSSISA-N 1 0 375.473 1.742 20 0 GDADRO COC[C@@](C)(CO)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000821680703 606480829 /nfs/dbraw/zinc/48/08/29/606480829.db2.gz RFXWDZOIMDBHJY-HXUWFJFHSA-N 1 0 383.452 1.933 20 0 GDADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000823697475 606490058 /nfs/dbraw/zinc/49/00/58/606490058.db2.gz LREYPKSFUMFBTL-HUUCEWRRSA-N 1 0 394.426 1.499 20 0 GDADRO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@@H](C)O1 ZINC000820751867 606534661 /nfs/dbraw/zinc/53/46/61/606534661.db2.gz IJWZAUBLZILDJO-IIDMSEBBSA-N 1 0 384.484 1.509 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821628190 606536044 /nfs/dbraw/zinc/53/60/44/606536044.db2.gz CDLWZUJDOIMSSM-UHFFFAOYSA-N 1 0 384.469 1.005 20 0 GDADRO CC[C@@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@H](C)O ZINC000820988283 606596904 /nfs/dbraw/zinc/59/69/04/606596904.db2.gz DSHIDGQBVLSBHI-WCQYABFASA-N 1 0 377.424 1.315 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000821351185 606621954 /nfs/dbraw/zinc/62/19/54/606621954.db2.gz MVMCTJPEIFLIHY-ZIAGYGMSSA-N 1 0 376.461 1.107 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000822650300 606657674 /nfs/dbraw/zinc/65/76/74/606657674.db2.gz UPWWOWZKTSKPOF-UHFFFAOYSA-N 1 0 381.440 1.414 20 0 GDADRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000821241498 606692053 /nfs/dbraw/zinc/69/20/53/606692053.db2.gz ODFVGDXJIYKPIE-HIFRSBDPSA-N 1 0 388.472 1.491 20 0 GDADRO C[C@H](NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)c1ccccc1 ZINC000820316613 606699093 /nfs/dbraw/zinc/69/90/93/606699093.db2.gz WAPBGZMDWDTNPF-STQMWFEESA-N 1 0 397.487 1.302 20 0 GDADRO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000819857641 606699434 /nfs/dbraw/zinc/69/94/34/606699434.db2.gz TUWZVRMZJRUKIW-GFCCVEGCSA-N 1 0 389.508 1.216 20 0 GDADRO CCN(Cc1ccccc1)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000821222436 606700285 /nfs/dbraw/zinc/70/02/85/606700285.db2.gz RUOHFSMBJDPHFV-UHFFFAOYSA-N 1 0 397.487 1.085 20 0 GDADRO CC[N@H+](C[C@@H](O)COC1CCOCC1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821170264 606703846 /nfs/dbraw/zinc/70/38/46/606703846.db2.gz OTCWMSJIDGFYPL-WMLDXEAASA-N 1 0 375.473 1.806 20 0 GDADRO COc1cc(C[N@@H+]2CC[C@@H](Nc3cccc(-c4nn[nH]n4)n3)C2)cc(OC)c1 ZINC000821716626 606728190 /nfs/dbraw/zinc/72/81/90/606728190.db2.gz CPINONDBLLMQPN-CQSZACIVSA-N 1 0 381.440 1.965 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000823187394 606734932 /nfs/dbraw/zinc/73/49/32/606734932.db2.gz JQIGEFBBQHDILE-UHFFFAOYSA-N 1 0 377.836 1.061 20 0 GDADRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000823196970 606735626 /nfs/dbraw/zinc/73/56/26/606735626.db2.gz NOXGAZXHTOMXJH-UHFFFAOYSA-N 1 0 391.863 1.451 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000821253495 606743305 /nfs/dbraw/zinc/74/33/05/606743305.db2.gz FQARSMQIVRMONC-GFCCVEGCSA-N 1 0 391.863 1.401 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000819876352 606771714 /nfs/dbraw/zinc/77/17/14/606771714.db2.gz FZMJXHBKYYKGRG-BBATYDOGSA-N 1 0 388.497 1.856 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCSc1ccccc1 ZINC000820788345 606780017 /nfs/dbraw/zinc/78/00/17/606780017.db2.gz DQOYINXINZYKGU-AWEZNQCLSA-N 1 0 382.497 1.960 20 0 GDADRO Cc1ccccc1OCCC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000822366834 606784695 /nfs/dbraw/zinc/78/46/95/606784695.db2.gz VEWRSKZJWQCVHW-INIZCTEOSA-N 1 0 394.483 1.945 20 0 GDADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000820751407 606810651 /nfs/dbraw/zinc/81/06/51/606810651.db2.gz GLIYOWSWOMFKAY-DOTOQJQBSA-N 1 0 398.515 1.427 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000820751573 606811013 /nfs/dbraw/zinc/81/10/13/606811013.db2.gz GLIYOWSWOMFKAY-NVXWUHKLSA-N 1 0 398.515 1.427 20 0 GDADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)ccc1OCCO ZINC000821708697 606855969 /nfs/dbraw/zinc/85/59/69/606855969.db2.gz WPZXTKZQABJVQZ-CXAGYDPISA-N 1 0 399.451 1.631 20 0 GDADRO O[C@H](C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673418 606856731 /nfs/dbraw/zinc/85/67/31/606856731.db2.gz MAHLWPJXICKZCA-CMKODMSKSA-N 1 0 376.464 1.968 20 0 GDADRO O[C@@H](C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672423 606909209 /nfs/dbraw/zinc/90/92/09/606909209.db2.gz DSASULNHAIDZIL-OALUTQOASA-N 1 0 387.484 1.950 20 0 GDADRO CC[C@@]1(C)CC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820951242 606920026 /nfs/dbraw/zinc/92/00/26/606920026.db2.gz WWGSAIKUOGZJHY-IBGZPJMESA-N 1 0 383.456 1.710 20 0 GDADRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000823373243 606921800 /nfs/dbraw/zinc/92/18/00/606921800.db2.gz UJTHATCTEIJDLE-SJORKVTESA-N 1 0 393.451 1.646 20 0 GDADRO CC(C)n1nccc1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820215010 606997755 /nfs/dbraw/zinc/99/77/55/606997755.db2.gz PNTAHWUIPAZKAN-UHFFFAOYSA-N 1 0 382.472 1.848 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821587100 607017244 /nfs/dbraw/zinc/01/72/44/607017244.db2.gz GRAMOXUIFMPQSM-UHFFFAOYSA-N 1 0 384.444 1.421 20 0 GDADRO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000823705346 607129478 /nfs/dbraw/zinc/12/94/78/607129478.db2.gz GFVWFLNQZMGJQQ-DLBZAZTESA-N 1 0 394.483 1.990 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000823246097 607151877 /nfs/dbraw/zinc/15/18/77/607151877.db2.gz BNBFUKXPLSWEGO-MSOLQXFVSA-N 1 0 399.499 1.434 20 0 GDADRO C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820357164 607152937 /nfs/dbraw/zinc/15/29/37/607152937.db2.gz FGTUCXIKHVUIDF-KKXDTOCCSA-N 1 0 399.499 1.605 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1ccc(O)cc1 ZINC000821586419 607155065 /nfs/dbraw/zinc/15/50/65/607155065.db2.gz XJBUTQFGLAYZBM-UHFFFAOYSA-N 1 0 380.452 1.705 20 0 GDADRO COCn1nccc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000530374729 649971010 /nfs/dbraw/zinc/97/10/10/649971010.db2.gz AVGXTGHTJNDWNV-CJNGLKHVSA-N 1 0 384.527 1.910 20 0 GDADRO CC[C@H]1C[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820995499 607174618 /nfs/dbraw/zinc/17/46/18/607174618.db2.gz SLUZYILHMFHCTM-QFBILLFUSA-N 1 0 386.500 1.678 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000823314587 607202927 /nfs/dbraw/zinc/20/29/27/607202927.db2.gz RGFZWXKZRUGIJF-LBPRGKRZSA-N 1 0 391.863 1.706 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821583371 607233709 /nfs/dbraw/zinc/23/37/09/607233709.db2.gz SRVWNZXNAMVONL-CQSZACIVSA-N 1 0 385.859 1.818 20 0 GDADRO NS(=O)(=O)c1cc(Br)cnc1NC1CC([NH+]2CCCCC2)C1 ZINC000530378431 649971570 /nfs/dbraw/zinc/97/15/70/649971570.db2.gz IIGHKGDRGFDYHH-UHFFFAOYSA-N 1 0 389.319 1.920 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C2 ZINC000826520485 607813258 /nfs/dbraw/zinc/81/32/58/607813258.db2.gz KMBJJOKIWJXJNT-VKJFTORMSA-N 1 0 394.483 1.862 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825452808 607816190 /nfs/dbraw/zinc/81/61/90/607816190.db2.gz QIBNFWYSRPQZSA-OAHLLOKOSA-N 1 0 378.502 1.057 20 0 GDADRO CC[N@@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C[C@@H]1C ZINC000825459097 607825724 /nfs/dbraw/zinc/82/57/24/607825724.db2.gz IAOXDKPNZFJVQH-AWEZNQCLSA-N 1 0 385.472 1.528 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826299223 607928819 /nfs/dbraw/zinc/92/88/19/607928819.db2.gz WFMXXYCRZHEPRO-HNNXBMFYSA-N 1 0 397.483 1.304 20 0 GDADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC000825870523 607934109 /nfs/dbraw/zinc/93/41/09/607934109.db2.gz PTDAEAIUQFHTMR-KRWDZBQOSA-N 1 0 397.458 1.707 20 0 GDADRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191315 607983457 /nfs/dbraw/zinc/98/34/57/607983457.db2.gz CPDNJOZLITYDHJ-FZKQIMNGSA-N 1 0 380.452 1.870 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825220380 608002078 /nfs/dbraw/zinc/00/20/78/608002078.db2.gz ROXXQKSJGMBGGV-LSDHHAIUSA-N 1 0 394.476 1.394 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000826132891 608003112 /nfs/dbraw/zinc/00/31/12/608003112.db2.gz HWYYFBUWMHOKFP-KPZWWZAWSA-N 1 0 390.444 1.727 20 0 GDADRO C[N@H+](CCO)C1CCN(C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825941579 608015073 /nfs/dbraw/zinc/01/50/73/608015073.db2.gz KUQROVFQTVGSGF-UHFFFAOYSA-N 1 0 390.513 1.015 20 0 GDADRO CS[C@@H]1CN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)C[C@H]1[NH+](C)C ZINC000826226542 608015609 /nfs/dbraw/zinc/01/56/09/608015609.db2.gz BKEUHOYCYOHGQQ-ZIAGYGMSSA-N 1 0 378.527 1.463 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3cccc(C)c3)CC2)c1-c1nn[nH]n1 ZINC000826073340 608020158 /nfs/dbraw/zinc/02/01/58/608020158.db2.gz OOFGBXNCXBHIPJ-UHFFFAOYSA-N 1 0 380.456 1.721 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826077408 608021245 /nfs/dbraw/zinc/02/12/45/608021245.db2.gz HGNVNIBOENUZBU-NWDGAFQWSA-N 1 0 376.465 1.276 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000826182856 608032971 /nfs/dbraw/zinc/03/29/71/608032971.db2.gz WKOQAMIUEZYNGW-KRWDZBQOSA-N 1 0 383.456 1.554 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cnn(-c2ccccc2)c1 ZINC000825933318 608034170 /nfs/dbraw/zinc/03/41/70/608034170.db2.gz BNYMYEMSSKJBLK-UHFFFAOYSA-N 1 0 378.444 1.422 20 0 GDADRO Cc1cccc(-c2noc(C[N@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)n2)c1 ZINC000826295605 608035275 /nfs/dbraw/zinc/03/52/75/608035275.db2.gz PEPLSNABOVBSNH-UHFFFAOYSA-N 1 0 394.443 1.595 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000826243995 608041732 /nfs/dbraw/zinc/04/17/32/608041732.db2.gz DGSBSTCVSFQAAD-UHFFFAOYSA-N 1 0 397.527 1.806 20 0 GDADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@@H]1[NH+](C)C ZINC000826227360 608088690 /nfs/dbraw/zinc/08/86/90/608088690.db2.gz PQTAIDLSPAKSAO-BYCMXARLSA-N 1 0 375.502 1.171 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000826358460 608107841 /nfs/dbraw/zinc/10/78/41/608107841.db2.gz VEYGWVFYPFKDCB-UHFFFAOYSA-N 1 0 381.440 1.414 20 0 GDADRO C[NH+](C)CCOc1cc(NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)ccn1 ZINC000825870412 608109135 /nfs/dbraw/zinc/10/91/35/608109135.db2.gz LIUXQWXYTVDHPJ-UHFFFAOYSA-N 1 0 381.440 1.773 20 0 GDADRO C[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824967426 608121387 /nfs/dbraw/zinc/12/13/87/608121387.db2.gz JUXLOOBPEKRALN-XANICSHESA-N 1 0 395.511 1.364 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000826243940 608121674 /nfs/dbraw/zinc/12/16/74/608121674.db2.gz BKOUIHXYDXCCKH-MAUKXSAKSA-N 1 0 383.500 1.273 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000826255858 608126367 /nfs/dbraw/zinc/12/63/67/608126367.db2.gz MSUHJVSDDOOBEP-AWEZNQCLSA-N 1 0 378.502 1.718 20 0 GDADRO CC(=O)NC1CCC([N@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000823989103 608131155 /nfs/dbraw/zinc/13/11/55/608131155.db2.gz MTYNPIQESCNBKV-UHFFFAOYSA-N 1 0 385.472 1.574 20 0 GDADRO CC1([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)OCCO1 ZINC000824818184 608131542 /nfs/dbraw/zinc/13/15/42/608131542.db2.gz TUEAFTPMOQZONV-HZPDHXFCSA-N 1 0 389.456 1.081 20 0 GDADRO CC1([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)OCCO1 ZINC000824819312 608132294 /nfs/dbraw/zinc/13/22/94/608132294.db2.gz ZVMBXVSDVASHCR-CQSZACIVSA-N 1 0 386.456 1.670 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000824706189 608163082 /nfs/dbraw/zinc/16/30/82/608163082.db2.gz HKMPCNGUUBIQDW-MVGZEHJDSA-N 1 0 384.484 1.431 20 0 GDADRO O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000826410430 608173591 /nfs/dbraw/zinc/17/35/91/608173591.db2.gz MZGDPTMLXFEQHI-CQSZACIVSA-N 1 0 378.440 1.723 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826413394 608219677 /nfs/dbraw/zinc/21/96/77/608219677.db2.gz CUBPNCXWIBXGTM-QGZVFWFLSA-N 1 0 392.467 1.454 20 0 GDADRO Cn1nnnc1CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826367065 608251887 /nfs/dbraw/zinc/25/18/87/608251887.db2.gz KFLWKABPOXWBSJ-UHFFFAOYSA-N 1 0 391.439 1.302 20 0 GDADRO CCC[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825307514 608253937 /nfs/dbraw/zinc/25/39/37/608253937.db2.gz CGELLILUMIWCOF-SFHVURJKSA-N 1 0 384.484 1.716 20 0 GDADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CCN1CC(F)F ZINC000825212945 608257755 /nfs/dbraw/zinc/25/77/55/608257755.db2.gz VBGNHBDZHKXCHK-OAHLLOKOSA-N 1 0 393.442 1.857 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC1 ZINC000825411888 608283161 /nfs/dbraw/zinc/28/31/61/608283161.db2.gz GOPLCCLDPKJVQM-UHFFFAOYSA-N 1 0 398.515 1.131 20 0 GDADRO CCC[C@@H]1CN(c2c3ccccc3nnc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825261361 608303478 /nfs/dbraw/zinc/30/34/78/608303478.db2.gz XRJMJPLABRDQHR-CQSZACIVSA-N 1 0 382.472 1.747 20 0 GDADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000826223925 608311788 /nfs/dbraw/zinc/31/17/88/608311788.db2.gz GMEDVWVJHTVEJS-UHFFFAOYSA-N 1 0 394.482 1.468 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824937209 608326444 /nfs/dbraw/zinc/32/64/44/608326444.db2.gz OGUKSGFBZMQPLK-ZDUSSCGKSA-N 1 0 396.492 1.690 20 0 GDADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@@H+]1C ZINC000824885326 608334554 /nfs/dbraw/zinc/33/45/54/608334554.db2.gz RWDYGRWUJATYNP-BXUZGUMPSA-N 1 0 382.465 1.250 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)[C@H](C)C1 ZINC000825451925 608334766 /nfs/dbraw/zinc/33/47/66/608334766.db2.gz LXTBFSDEPBYQHW-MLGOLLRUSA-N 1 0 396.492 1.498 20 0 GDADRO c1ccc([C@H](CN2CCOCC2)[NH2+]CCOc2ccccc2-c2nn[nH]n2)cc1 ZINC000826520425 608430020 /nfs/dbraw/zinc/43/00/20/608430020.db2.gz IVJIOGDVFBPGMF-IBGZPJMESA-N 1 0 394.479 1.909 20 0 GDADRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826214310 608432324 /nfs/dbraw/zinc/43/23/24/608432324.db2.gz HPHUNFQBQFRSQE-CYBMUJFWSA-N 1 0 387.465 2.000 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825875183 608465886 /nfs/dbraw/zinc/46/58/86/608465886.db2.gz COHJGWNYTHGAON-UHFFFAOYSA-N 1 0 376.486 1.237 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824564088 608484353 /nfs/dbraw/zinc/48/43/53/608484353.db2.gz RNFAHPYLRHJOMA-ZDUSSCGKSA-N 1 0 393.451 1.858 20 0 GDADRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826219763 608490116 /nfs/dbraw/zinc/49/01/16/608490116.db2.gz PTGAAHATIBVSFV-AWEZNQCLSA-N 1 0 380.452 1.885 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824562239 608490498 /nfs/dbraw/zinc/49/04/98/608490498.db2.gz CZLDYHQBLWWDOL-HNNXBMFYSA-N 1 0 399.499 1.426 20 0 GDADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)n(C)n1 ZINC000826269785 608523043 /nfs/dbraw/zinc/52/30/43/608523043.db2.gz XJOBYPRDVLGNNZ-IAGOWNOFSA-N 1 0 392.467 1.681 20 0 GDADRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826412391 608537188 /nfs/dbraw/zinc/53/71/88/608537188.db2.gz MHXZMLZTWJRSPF-SFHVURJKSA-N 1 0 380.452 1.586 20 0 GDADRO C[NH+]1CCC2(CCCN2S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826028879 608563518 /nfs/dbraw/zinc/56/35/18/608563518.db2.gz KBNXTPSECIBBJW-UHFFFAOYSA-N 1 0 376.486 1.257 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc([S@@](C)=O)cc1 ZINC000824564491 608579325 /nfs/dbraw/zinc/57/93/25/608579325.db2.gz URIFMZIQTFUZNH-AFNXNYLOSA-N 1 0 390.494 1.955 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824909856 608654242 /nfs/dbraw/zinc/65/42/42/608654242.db2.gz VKQGODRSHZGOCN-HUUCEWRRSA-N 1 0 375.546 1.919 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)NCc2nc(-c3cccc(-c4nn[nH]n4)c3)c[nH]2)CC1 ZINC000824297149 608810134 /nfs/dbraw/zinc/81/01/34/608810134.db2.gz QVTWTWVJWATPKJ-UHFFFAOYSA-N 1 0 394.483 1.993 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@H]1CCOc2ccccc21 ZINC000825001257 608834590 /nfs/dbraw/zinc/83/45/90/608834590.db2.gz XZBWMUHHBXTWEO-HUUCEWRRSA-N 1 0 392.467 1.734 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824893845 608846754 /nfs/dbraw/zinc/84/67/54/608846754.db2.gz VMNWHCXRYUTYMF-YOEHRIQHSA-N 1 0 387.488 1.507 20 0 GDADRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000826091139 609135968 /nfs/dbraw/zinc/13/59/68/609135968.db2.gz WJIOVHPSTSRHFT-LLVKDONJSA-N 1 0 390.444 1.765 20 0 GDADRO C[C@@H](O)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000824689246 609145930 /nfs/dbraw/zinc/14/59/30/609145930.db2.gz JZVAUWRNEHXUHA-VXGBXAGGSA-N 1 0 390.513 1.838 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259059 609161889 /nfs/dbraw/zinc/16/18/89/609161889.db2.gz GEFZXXNMKUZVNB-IUODEOHRSA-N 1 0 392.467 1.716 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CN1C1CC1 ZINC000824892289 609168788 /nfs/dbraw/zinc/16/87/88/609168788.db2.gz GHXBKAGQSYSBKC-SIIHOXLZSA-N 1 0 381.484 1.577 20 0 GDADRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825399322 609169191 /nfs/dbraw/zinc/16/91/91/609169191.db2.gz PPVRHASCDOFBJD-WMLDXEAASA-N 1 0 399.499 1.599 20 0 GDADRO C[NH+]1CCN(c2ccccc2NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826045472 609190862 /nfs/dbraw/zinc/19/08/62/609190862.db2.gz WKOMMROLWNHCMQ-GOSISDBHSA-N 1 0 393.451 1.291 20 0 GDADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826441881 609210462 /nfs/dbraw/zinc/21/04/62/609210462.db2.gz ZSQSOVGSEVDGEP-UHFFFAOYSA-N 1 0 381.440 1.082 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824885344 609245603 /nfs/dbraw/zinc/24/56/03/609245603.db2.gz SCGIESGEAMUSGF-ZMYBRWDISA-N 1 0 392.463 1.679 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824413702 609260925 /nfs/dbraw/zinc/26/09/25/609260925.db2.gz OMCXAUXKKINJFM-KSSFIOAISA-N 1 0 380.452 1.537 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C1=CC[N@H+](C)CC1 ZINC000824470699 609313922 /nfs/dbraw/zinc/31/39/22/609313922.db2.gz KTUOCLISKCZVMY-KBXCAEBGSA-N 1 0 381.484 1.602 20 0 GDADRO C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000824473015 609314569 /nfs/dbraw/zinc/31/45/69/609314569.db2.gz YOPBPJZLYJUESB-JTQLQIEISA-N 1 0 389.847 1.225 20 0 GDADRO C[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824470457 609317484 /nfs/dbraw/zinc/31/74/84/609317484.db2.gz IGCBDMNMIPYKEL-FDQGKXFDSA-N 1 0 384.484 1.669 20 0 GDADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824975624 609341000 /nfs/dbraw/zinc/34/10/00/609341000.db2.gz KPPXJTLBQMHFGB-FZKQIMNGSA-N 1 0 378.484 1.840 20 0 GDADRO CCC[NH+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC1 ZINC000825327357 609361852 /nfs/dbraw/zinc/36/18/52/609361852.db2.gz JKXZWLDQFBFGQE-UHFFFAOYSA-N 1 0 399.434 1.751 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000825870180 609396860 /nfs/dbraw/zinc/39/68/60/609396860.db2.gz CTVVINKLDQZKGC-UHFFFAOYSA-N 1 0 396.451 1.967 20 0 GDADRO O=C1[C@H]([NH2+][C@H](CO)c2ccccc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476331 609423582 /nfs/dbraw/zinc/42/35/82/609423582.db2.gz FUYJYTPMVDBQPO-QZTJIDSGSA-N 1 0 378.436 1.685 20 0 GDADRO O=S(=O)(CC[NH2+][C@H](CO)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484633 609428942 /nfs/dbraw/zinc/42/89/42/609428942.db2.gz KADMYNJWHPHQBO-MRXNPFEDSA-N 1 0 379.486 1.171 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c1-c1nn[nH]n1 ZINC000826077869 609434901 /nfs/dbraw/zinc/43/49/01/609434901.db2.gz YDCCCKWJGKHYAF-TZMCWYRMSA-N 1 0 390.492 1.522 20 0 GDADRO CN(CCC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)c1cc[nH+]cc1 ZINC000825915435 609468213 /nfs/dbraw/zinc/46/82/13/609468213.db2.gz ZOSQMNSQBYUOAD-SFHVURJKSA-N 1 0 393.451 1.688 20 0 GDADRO Cc1onc(CC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1-c1nn[nH]n1 ZINC000826344140 609468335 /nfs/dbraw/zinc/46/83/35/609468335.db2.gz YFINYCXASAMPRJ-KGLIPLIRSA-N 1 0 395.467 1.827 20 0 GDADRO Cc1onc(CC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[nH]n1 ZINC000826344142 609468354 /nfs/dbraw/zinc/46/83/54/609468354.db2.gz YFINYCXASAMPRJ-ZIAGYGMSSA-N 1 0 395.467 1.827 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1-c1nn[nH]n1 ZINC000825538781 609494522 /nfs/dbraw/zinc/49/45/22/609494522.db2.gz KCAXZDBSXAKJKB-UHFFFAOYSA-N 1 0 388.432 1.605 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000826357573 609498102 /nfs/dbraw/zinc/49/81/02/609498102.db2.gz KEDUVXWPLAMUHF-KBAYOESNSA-N 1 0 391.479 1.846 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)[NH+]1CCC(C)CC1 ZINC000824953669 609542292 /nfs/dbraw/zinc/54/22/92/609542292.db2.gz GUNKUZBFOPQHDF-GFCCVEGCSA-N 1 0 398.920 1.919 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3Cl)CC[C@H]21 ZINC000826033535 609557955 /nfs/dbraw/zinc/55/79/55/609557955.db2.gz GINQDCGFDKLTAI-GXTWGEPZSA-N 1 0 396.904 1.625 20 0 GDADRO Cc1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257123 609589847 /nfs/dbraw/zinc/58/98/47/609589847.db2.gz OQPVKXXNJSVEIV-INIZCTEOSA-N 1 0 380.456 1.527 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000531466075 649992005 /nfs/dbraw/zinc/99/20/05/649992005.db2.gz HCXCCSJVLLLCAX-UHFFFAOYSA-N 1 0 381.523 1.528 20 0 GDADRO NS(=O)(=O)CCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000532651025 650029335 /nfs/dbraw/zinc/02/93/35/650029335.db2.gz VODKMRRLZFYOBL-UHFFFAOYSA-N 1 0 377.304 1.723 20 0 GDADRO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000533387108 650050630 /nfs/dbraw/zinc/05/06/30/650050630.db2.gz MNJAJWZEBFJIDT-QGZVFWFLSA-N 1 0 391.269 1.559 20 0 GDADRO CSCC[C@H](C)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000533393013 650050991 /nfs/dbraw/zinc/05/09/91/650050991.db2.gz BTMRUTDPDDKIJT-QWHCGFSZSA-N 1 0 385.555 1.685 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCNc1cc[nH+]cc1 ZINC000533811415 650214214 /nfs/dbraw/zinc/21/42/14/650214214.db2.gz WQWBIZQOTBTZPQ-LBPRGKRZSA-N 1 0 382.873 1.052 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCSCC(F)(F)F)CC1=O ZINC000535820880 650258199 /nfs/dbraw/zinc/25/81/99/650258199.db2.gz XCLQLQQPNBNTIT-STQMWFEESA-N 1 0 381.464 1.731 20 0 GDADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCNC1=O ZINC000536174378 650266576 /nfs/dbraw/zinc/26/65/76/650266576.db2.gz MLRYWUFFAOTOOK-ZYHUDNBSSA-N 1 0 377.666 1.663 20 0 GDADRO Cc1ccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1Br ZINC000536175205 650266659 /nfs/dbraw/zinc/26/66/59/650266659.db2.gz SVXXWBZFBYHPJG-UHFFFAOYSA-N 1 0 398.345 1.877 20 0 GDADRO CN(CC(=O)N1CC[N@H+](C)CC1(C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000536588714 650273470 /nfs/dbraw/zinc/27/34/70/650273470.db2.gz HMPFNGATEBAWHX-UHFFFAOYSA-N 1 0 379.935 1.575 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000536835554 650281524 /nfs/dbraw/zinc/28/15/24/650281524.db2.gz XWLGVIBJBMNIBW-LBPRGKRZSA-N 1 0 377.532 1.427 20 0 GDADRO O=S1(=O)CCO[C@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000536850605 650281894 /nfs/dbraw/zinc/28/18/94/650281894.db2.gz FCMGPCSRLMRMDG-YGRLFVJLSA-N 1 0 378.263 1.979 20 0 GDADRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)c1 ZINC000537021830 650286210 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GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000540713820 650368560 /nfs/dbraw/zinc/36/85/60/650368560.db2.gz OEHQPSWUDRWAEE-UHFFFAOYSA-N 1 0 388.555 1.630 20 0 GDADRO CS(=O)(=O)c1cccc(Cl)c1CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000541792260 650390866 /nfs/dbraw/zinc/39/08/66/650390866.db2.gz URZOKEQAMSHSCD-CYBMUJFWSA-N 1 0 387.933 1.421 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000544653945 650442870 /nfs/dbraw/zinc/44/28/70/650442870.db2.gz CDUAZNRSZXZVSH-INIZCTEOSA-N 1 0 375.535 1.170 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000545880646 650464017 /nfs/dbraw/zinc/46/40/17/650464017.db2.gz NAPPQWNHTVHZJQ-CQSZACIVSA-N 1 0 390.665 1.224 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)NCC[NH+]3CCC3)C2=O)ccc1Br ZINC000545916906 650466359 /nfs/dbraw/zinc/46/63/59/650466359.db2.gz WLTWKNBHOCOZBR-OAHLLOKOSA-N 1 0 395.301 1.868 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000546568400 650478674 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1.657 20 0 GDADRO CC[C@H](Cn1cncn1)[NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000551267549 650603097 /nfs/dbraw/zinc/60/30/97/650603097.db2.gz REIPUOFRCLSWRC-CQSZACIVSA-N 1 0 385.559 1.981 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)COc1ccsc1Cl ZINC000551633641 650609656 /nfs/dbraw/zinc/60/96/56/650609656.db2.gz QIMQQSLPACXCDW-UHFFFAOYSA-N 1 0 389.905 1.029 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000552369050 650624456 /nfs/dbraw/zinc/62/44/56/650624456.db2.gz PXCRCEXZVLLUTJ-LBPRGKRZSA-N 1 0 393.506 1.207 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000552472372 650627111 /nfs/dbraw/zinc/62/71/11/650627111.db2.gz FBSKRKRMHFBNTD-JQWIXIFHSA-N 1 0 381.274 1.374 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000552428432 650626176 /nfs/dbraw/zinc/62/61/76/650626176.db2.gz NLEMDCLRNFTWME-UHFFFAOYSA-N 1 0 386.290 1.484 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3CCCS3(=O)=O)CC2)cc1 ZINC000552922930 650634900 /nfs/dbraw/zinc/63/49/00/650634900.db2.gz AJVAXSLPJPJMCQ-KRWDZBQOSA-N 1 0 386.539 1.315 20 0 GDADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000552944653 650635315 /nfs/dbraw/zinc/63/53/15/650635315.db2.gz LEEULZKIFBASHM-XHDPSFHLSA-N 1 0 396.285 1.712 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000553059468 650637081 /nfs/dbraw/zinc/63/70/81/650637081.db2.gz MCNQIUHPQIAXGV-RBSFLKMASA-N 1 0 385.555 1.748 20 0 GDADRO CCCN(CC[NH+]1CCCC1)C(=O)c1nc2ncc(Br)cn2n1 ZINC000553056606 650637102 /nfs/dbraw/zinc/63/71/02/650637102.db2.gz NRWWWHGWNFEFGB-UHFFFAOYSA-N 1 0 381.278 1.835 20 0 GDADRO CC(C)Cc1ncnc(NC[C@@]2(O)CC[N@H+](C)C2)c1I ZINC000553484541 650648246 /nfs/dbraw/zinc/64/82/46/650648246.db2.gz SLXCEKWAWULBGR-AWEZNQCLSA-N 1 0 390.269 1.758 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)CC2CCS(=O)(=O)CC2)C1 ZINC000553797814 650657931 /nfs/dbraw/zinc/65/79/31/650657931.db2.gz FZLNWXJYBPVVKQ-UXLLHSPISA-N 1 0 392.587 1.478 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000554142617 650669200 /nfs/dbraw/zinc/66/92/00/650669200.db2.gz UTVCRACAZBOJGQ-XHDPSFHLSA-N 1 0 389.265 1.706 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000554142614 650669241 /nfs/dbraw/zinc/66/92/41/650669241.db2.gz UTVCRACAZBOJGQ-IAQYHMDHSA-N 1 0 389.265 1.706 20 0 GDADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NCC(=O)N1CC[NH2+]CC1 ZINC000555415762 650690526 /nfs/dbraw/zinc/69/05/26/650690526.db2.gz AUDHIEKRWJHAIE-UHFFFAOYSA-N 1 0 380.659 1.574 20 0 GDADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000555111834 650686108 /nfs/dbraw/zinc/68/61/08/650686108.db2.gz LBCDYYASDSYLLT-ZDUSSCGKSA-N 1 0 388.559 1.211 20 0 GDADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000555463410 650691616 /nfs/dbraw/zinc/69/16/16/650691616.db2.gz KSKIFRPWIHXWIW-CHWSQXEVSA-N 1 0 394.331 1.861 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000555953089 650697306 /nfs/dbraw/zinc/69/73/06/650697306.db2.gz XKILLEJDKSIEGZ-SECBINFHSA-N 1 0 380.392 1.023 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000555960418 650697442 /nfs/dbraw/zinc/69/74/42/650697442.db2.gz PJPVOWDCZMPTKK-CYBMUJFWSA-N 1 0 384.318 1.954 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(Br)c1 ZINC000556603799 650707433 /nfs/dbraw/zinc/70/74/33/650707433.db2.gz OYPHFOLUQDPOQE-ZFWWWQNUSA-N 1 0 399.285 1.961 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000556905739 650714660 /nfs/dbraw/zinc/71/46/60/650714660.db2.gz VRPMQNXEMWRTJL-GHMZBOCLSA-N 1 0 376.284 1.943 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1Br ZINC000557347044 650723302 /nfs/dbraw/zinc/72/33/02/650723302.db2.gz AJKOHZYGDOISJI-JTQLQIEISA-N 1 0 383.695 1.759 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H](CO)Cc2ccccc2OC(F)(F)F)C1 ZINC000557507736 650727302 /nfs/dbraw/zinc/72/73/02/650727302.db2.gz AWTSKTBXDODNGV-GXTWGEPZSA-N 1 0 381.416 1.903 20 0 GDADRO O=C(Nc1nc(CC(F)(F)F)cs1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000559605267 650734398 /nfs/dbraw/zinc/73/43/98/650734398.db2.gz OZCAZSUOSWYMFK-LLVKDONJSA-N 1 0 376.404 1.883 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3C[NH2+]CCN3C)nc12 ZINC000564065167 650747054 /nfs/dbraw/zinc/74/70/54/650747054.db2.gz NAHZZPGLWFKMQT-CQSZACIVSA-N 1 0 395.305 1.108 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000564084503 650747983 /nfs/dbraw/zinc/74/79/83/650747983.db2.gz OUWJCQYQPUQDER-KRWDZBQOSA-N 1 0 386.539 1.635 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1Br ZINC000564536844 650760639 /nfs/dbraw/zinc/76/06/39/650760639.db2.gz WUTGYMSGYXJYTP-UHFFFAOYSA-N 1 0 387.322 1.814 20 0 GDADRO O=C(NCC[NH+]1CCC1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000564768868 650767226 /nfs/dbraw/zinc/76/72/26/650767226.db2.gz DFPBPMNWIZFEAF-OAHLLOKOSA-N 1 0 380.286 1.762 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000564615331 650762820 /nfs/dbraw/zinc/76/28/20/650762820.db2.gz ITDHAYUIKJOYIU-ZDUSSCGKSA-N 1 0 382.448 1.516 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)s1 ZINC000564845405 650769632 /nfs/dbraw/zinc/76/96/32/650769632.db2.gz XRADVZKQBIMYBR-LLVKDONJSA-N 1 0 390.914 1.839 20 0 GDADRO C[NH2+]CCS[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000564926707 650773071 /nfs/dbraw/zinc/77/30/71/650773071.db2.gz OCLMZXSKNXNQQM-NSHDSACASA-N 1 0 375.516 1.225 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564933572 650773428 /nfs/dbraw/zinc/77/34/28/650773428.db2.gz CQGDNTQRLWBASL-UKRRQHHQSA-N 1 0 382.302 1.755 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000564991749 650775413 /nfs/dbraw/zinc/77/54/13/650775413.db2.gz YROMXOHFUAOUKB-NSHDSACASA-N 1 0 381.420 1.473 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2cccc(Br)c2C)[C@H](C[NH3+])C1 ZINC000565221293 650784881 /nfs/dbraw/zinc/78/48/81/650784881.db2.gz HSKJTMAPWYYHLS-KBPBESRZSA-N 1 0 398.301 1.338 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(CNC(=O)c2sccc2C[NH+](C)C)c1 ZINC000565442442 650797205 /nfs/dbraw/zinc/79/72/05/650797205.db2.gz CPYYBLIZKUUKSF-UHFFFAOYSA-N 1 0 381.523 1.990 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(Cc3ccc(OC(F)F)c(Br)c3)CCN2C1=O ZINC000565372795 650794153 /nfs/dbraw/zinc/79/41/53/650794153.db2.gz RIAZOCYRPKVSOE-PWSUYJOCSA-N 1 0 390.228 1.794 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000565471171 650798483 /nfs/dbraw/zinc/79/84/83/650798483.db2.gz PSRIYACWYDMRLO-INIZCTEOSA-N 1 0 398.301 1.990 20 0 GDADRO C[N@H+](C[C@H](O)CNCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C1CC1 ZINC000565475873 650798729 /nfs/dbraw/zinc/79/87/29/650798729.db2.gz DXECWXJYPIPLNM-CYBMUJFWSA-N 1 0 380.432 1.654 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000565489507 650799376 /nfs/dbraw/zinc/79/93/76/650799376.db2.gz YEJWZFUIDAHJMO-HOTGVXAUSA-N 1 0 389.587 1.134 20 0 GDADRO COC(=O)c1cncc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000565531950 650801056 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O=C(c1cccc(Cl)c1)N1CCC[C@H](S(=O)(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000566228568 650836423 /nfs/dbraw/zinc/83/64/23/650836423.db2.gz NHDOHWBLASWEFJ-HOTGVXAUSA-N 1 0 385.917 1.616 20 0 GDADRO O[C@H](C[NH2+]C[C@@H](O)CN1CCOCC1)COc1cc(Cl)ccc1Cl ZINC000566230939 650836649 /nfs/dbraw/zinc/83/66/49/650836649.db2.gz GXAAFTQTJOPFOM-ZIAGYGMSSA-N 1 0 379.284 1.016 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000566251698 650837372 /nfs/dbraw/zinc/83/73/72/650837372.db2.gz UZSRFYANBBGCMQ-RNCFNFMXSA-N 1 0 378.281 1.092 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2c(Br)cccc2C1 ZINC000566617910 650859610 /nfs/dbraw/zinc/85/96/10/650859610.db2.gz OTETUQCMAOFDFE-HNNXBMFYSA-N 1 0 380.286 1.592 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c(Br)c1 ZINC000566886641 650871968 /nfs/dbraw/zinc/87/19/68/650871968.db2.gz WJZOQLLCJKYDSW-UHFFFAOYSA-N 1 0 384.274 1.269 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000567148992 650888503 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CCOc1cc(C[NH2+]CCCNS(C)(=O)=O)cc(Br)c1OC ZINC000044862167 644349799 /nfs/dbraw/zinc/34/97/99/644349799.db2.gz BPVMRAOMPSHABU-UHFFFAOYSA-N 1 0 395.319 1.885 20 0 GDADRO CO[C@@H]1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)[C@H](C[NH3+])C1 ZINC000567667288 650913472 /nfs/dbraw/zinc/91/34/72/650913472.db2.gz YPQHUWUPRTUQMP-NWDGAFQWSA-N 1 0 385.258 1.799 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000567690056 650915035 /nfs/dbraw/zinc/91/50/35/650915035.db2.gz XLIHJYAVLRCHIC-GXTWGEPZSA-N 1 0 380.432 1.480 20 0 GDADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000055218426 644469117 /nfs/dbraw/zinc/46/91/17/644469117.db2.gz GMSINZQUGKFQIF-UHFFFAOYSA-N 1 0 377.857 1.894 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000567861556 650924544 /nfs/dbraw/zinc/92/45/44/650924544.db2.gz CGCJLEVLURLXFY-WHFBIAKZSA-N 1 0 398.666 1.963 20 0 GDADRO CN1C(=O)CC[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1=O ZINC000567891543 650927485 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C[NH+](C)[C@@H](CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C1CC1 ZINC000134643073 644760375 /nfs/dbraw/zinc/76/03/75/644760375.db2.gz LNCORELUPSONSB-INIZCTEOSA-N 1 0 385.917 1.950 20 0 GDADRO Cc1cc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)cnc1Cl ZINC000135078827 644763602 /nfs/dbraw/zinc/76/36/02/644763602.db2.gz PRKLRSOZRTVYSP-UHFFFAOYSA-N 1 0 384.889 1.857 20 0 GDADRO COc1ccc(Br)c(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000568282068 650950596 /nfs/dbraw/zinc/95/05/96/650950596.db2.gz MOKJZMVQECKTJP-CABZTGNLSA-N 1 0 383.246 1.233 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1Br ZINC000156245371 644819169 /nfs/dbraw/zinc/81/91/69/644819169.db2.gz IILXDSQFASHDJG-NXEZZACHSA-N 1 0 391.287 1.607 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000161326663 644853200 /nfs/dbraw/zinc/85/32/00/644853200.db2.gz WKNZWOWFIMUEGG-CQSZACIVSA-N 1 0 385.917 1.949 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000161494043 644853756 /nfs/dbraw/zinc/85/37/56/644853756.db2.gz FTAUJJVZVUKVAY-QWRGUYRKSA-N 1 0 375.288 1.852 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000173458304 644891402 /nfs/dbraw/zinc/89/14/02/644891402.db2.gz UWKPNTKHOQKIAN-LBPRGKRZSA-N 1 0 395.356 1.940 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1F ZINC000177697455 644919822 /nfs/dbraw/zinc/91/98/22/644919822.db2.gz QMWJSWXUTBOUAV-NSHDSACASA-N 1 0 376.425 1.762 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1F ZINC000177720020 644921009 /nfs/dbraw/zinc/92/10/09/644921009.db2.gz KCZVRJITDXXNRP-PWSUYJOCSA-N 1 0 376.425 1.712 20 0 GDADRO O=S(=O)(NCCCN1CC[NH2+]CC1)c1cc(Br)cnc1Cl ZINC000178887308 644927431 /nfs/dbraw/zinc/92/74/31/644927431.db2.gz ZRPUCMBKQFSUOF-UHFFFAOYSA-N 1 0 397.726 1.071 20 0 GDADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000183111692 644967255 /nfs/dbraw/zinc/96/72/55/644967255.db2.gz PNCIRAZKIHPPTG-SECBINFHSA-N 1 0 386.948 1.425 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000189325887 645013200 /nfs/dbraw/zinc/01/32/00/645013200.db2.gz AOAKIEUKMRKRPL-ONGXEEELSA-N 1 0 393.303 1.885 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1Br ZINC000193419210 645051311 /nfs/dbraw/zinc/05/13/11/645051311.db2.gz PCNKJPTXBQPUTC-LKFCYVNXSA-N 1 0 375.288 1.928 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000568881679 650975519 /nfs/dbraw/zinc/97/55/19/650975519.db2.gz MYPXCEGSAMZGPT-CYBMUJFWSA-N 1 0 385.917 1.748 20 0 GDADRO COCCN(CCOC)S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000568903875 650976426 /nfs/dbraw/zinc/97/64/26/650976426.db2.gz ZGDOMCTXCJDSQS-INIZCTEOSA-N 1 0 393.937 1.372 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000236654121 645081123 /nfs/dbraw/zinc/08/11/23/645081123.db2.gz FGJBTYHEVLGWFM-LLVKDONJSA-N 1 0 375.288 1.930 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCCC[NH3+])c1 ZINC000236961219 645081936 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GDADRO [NH3+]CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000238036935 645089394 /nfs/dbraw/zinc/08/93/94/645089394.db2.gz WJXMDHGPBMFYHU-UHFFFAOYSA-N 1 0 378.248 1.717 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1Cl ZINC000261603803 645114379 /nfs/dbraw/zinc/11/43/79/645114379.db2.gz AGSJNBSYOQDHPU-LBPRGKRZSA-N 1 0 385.839 1.763 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1Cl ZINC000261603802 645114522 /nfs/dbraw/zinc/11/45/22/645114522.db2.gz AGSJNBSYOQDHPU-GFCCVEGCSA-N 1 0 385.839 1.763 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H](C)[NH2+]C)c1 ZINC000261768082 645116730 /nfs/dbraw/zinc/11/67/30/645116730.db2.gz OXYOZQVUTKFLQK-SECBINFHSA-N 1 0 379.276 1.512 20 0 GDADRO O=C(NCC1C[NH2+]C1)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000261907219 645119466 /nfs/dbraw/zinc/11/94/66/645119466.db2.gz GBUWQCYWJMXQBK-HNNXBMFYSA-N 1 0 395.301 1.459 20 0 GDADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC2CCC([NH3+])CC2)cc1 ZINC000262737229 645136298 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C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCc2ccccc2Br)C1 ZINC000421324726 646005571 /nfs/dbraw/zinc/00/55/71/646005571.db2.gz KICHPTFWYURHSD-CYBMUJFWSA-N 1 0 382.302 1.913 20 0 GDADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000421836118 646023410 /nfs/dbraw/zinc/02/34/10/646023410.db2.gz NWVDEHYHXOCGKW-AGIUHOORSA-N 1 0 390.908 1.939 20 0 GDADRO CC[NH+]1CCC(N2CCCN(C(=O)Cn3cc(Br)cn3)CC2)CC1 ZINC000422014802 646032870 /nfs/dbraw/zinc/03/28/70/646032870.db2.gz ZUQPWJAWCACFNB-UHFFFAOYSA-N 1 0 398.349 1.664 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000422073121 646035918 /nfs/dbraw/zinc/03/59/18/646035918.db2.gz TVCCINSMCVQZEX-JKSUJKDBSA-N 1 0 394.313 1.851 20 0 GDADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C[C@H]1C[NH3+] ZINC000422553886 646077983 /nfs/dbraw/zinc/07/79/83/646077983.db2.gz LAKIAPLMBYKGTP-GRYCIOLGSA-N 1 0 393.506 1.191 20 0 GDADRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C[C@H]1C[NH3+] ZINC000422637051 646086344 /nfs/dbraw/zinc/08/63/44/646086344.db2.gz OAYOVCYVCAGYMW-IJLUTSLNSA-N 1 0 388.921 1.231 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])s1 ZINC000422942331 646102053 /nfs/dbraw/zinc/10/20/53/646102053.db2.gz WNNNYTIGERPJRT-AEGPPILISA-N 1 0 375.560 1.621 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@H](C)[NH3+] ZINC000422945893 646102065 /nfs/dbraw/zinc/10/20/65/646102065.db2.gz VPDNILKKBVRTLQ-XJKSGUPXSA-N 1 0 387.933 1.792 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422963977 646103859 /nfs/dbraw/zinc/10/38/59/646103859.db2.gz KBGZSJQZJUVSFV-HNNXBMFYSA-N 1 0 382.302 1.838 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422965297 646103863 /nfs/dbraw/zinc/10/38/63/646103863.db2.gz OMCVQVJSXGNIRU-CYBMUJFWSA-N 1 0 394.313 1.851 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000422999867 646106878 /nfs/dbraw/zinc/10/68/78/646106878.db2.gz TWOWBLZJIPKGHH-CYBMUJFWSA-N 1 0 382.302 1.995 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000423000077 646107616 /nfs/dbraw/zinc/10/76/16/646107616.db2.gz UOLSZDQCADBZMO-LBPRGKRZSA-N 1 0 382.302 1.993 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000423004914 646107977 /nfs/dbraw/zinc/10/79/77/646107977.db2.gz QGPUQQNMRDTEKF-TXEJJXNPSA-N 1 0 398.301 1.625 20 0 GDADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423013450 646108791 /nfs/dbraw/zinc/10/87/91/646108791.db2.gz MUHNVMPXNNXEPT-CYBMUJFWSA-N 1 0 384.933 1.256 20 0 GDADRO COC[C@@]1(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC[NH2+]C1 ZINC000423096727 646113070 /nfs/dbraw/zinc/11/30/70/646113070.db2.gz PREKOTUVMXAKHV-MRXNPFEDSA-N 1 0 385.258 1.463 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C[C@@]1(C)C[NH3+] ZINC000423131249 646115733 /nfs/dbraw/zinc/11/57/33/646115733.db2.gz HSNUVZFPQXPPLF-MEBBXXQBSA-N 1 0 388.331 1.912 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000423151739 646116343 /nfs/dbraw/zinc/11/63/43/646116343.db2.gz DQXBOUVAUBAGAK-QWHCGFSZSA-N 1 0 379.215 1.923 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000423183412 646118761 /nfs/dbraw/zinc/11/87/61/646118761.db2.gz RRMXFPLKPNKRBC-UHFFFAOYSA-N 1 0 390.311 1.772 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423231941 646119186 /nfs/dbraw/zinc/11/91/86/646119186.db2.gz BJOJYLVZZVBTAL-DOMZBBRYSA-N 1 0 386.279 1.714 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000423199510 646119211 /nfs/dbraw/zinc/11/92/11/646119211.db2.gz BSPKTFNCKDHFAN-WFASDCNBSA-N 1 0 396.285 1.169 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000423450162 646125031 /nfs/dbraw/zinc/12/50/31/646125031.db2.gz DRSLKPUBSDIIMP-BETUJISGSA-N 1 0 382.302 1.925 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000423449149 646125246 /nfs/dbraw/zinc/12/52/46/646125246.db2.gz FXRIQRGUFFRTGJ-UHFFFAOYSA-N 1 0 388.295 1.918 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2csc(Br)c2)C2CC2)C[C@H]1[NH3+] ZINC000423449140 646125302 /nfs/dbraw/zinc/12/53/02/646125302.db2.gz CALIXXYKPXBENX-BXKDBHETSA-N 1 0 386.315 1.807 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000423456180 646125978 /nfs/dbraw/zinc/12/59/78/646125978.db2.gz DIYKAMDBKKDVLX-JTQLQIEISA-N 1 0 378.420 1.546 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423529979 646128315 /nfs/dbraw/zinc/12/83/15/646128315.db2.gz OWRZKUPXUDOCAR-AAEUAGOBSA-N 1 0 386.279 1.793 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C[C@@H]1[NH3+] ZINC000423534184 646129012 /nfs/dbraw/zinc/12/90/12/646129012.db2.gz VLBRAJWRBMCMOL-GMXABZIVSA-N 1 0 386.279 1.779 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(C)c3C2)C1 ZINC000423550151 646129523 /nfs/dbraw/zinc/12/95/23/646129523.db2.gz FCKPBVUUGRHSER-ZDUSSCGKSA-N 1 0 394.313 1.710 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)s2)CC[NH2+]1 ZINC000423563497 646130082 /nfs/dbraw/zinc/13/00/82/646130082.db2.gz ICPTZRXPSWFXEU-GHMZBOCLSA-N 1 0 386.315 1.994 20 0 GDADRO CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000423580983 646133325 /nfs/dbraw/zinc/13/33/25/646133325.db2.gz UNJKDTULEZSCPE-OCCSQVGLSA-N 1 0 396.285 1.681 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423623095 646137908 /nfs/dbraw/zinc/13/79/08/646137908.db2.gz NOVSCVARHNSANP-ZDUSSCGKSA-N 1 0 386.265 1.886 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCN1c2ccc(Br)cc2OCC1=O ZINC000423655882 646139966 /nfs/dbraw/zinc/13/99/66/646139966.db2.gz CEQGGXGMARBOPJ-JQWIXIFHSA-N 1 0 382.258 1.513 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000423676763 646141829 /nfs/dbraw/zinc/14/18/29/646141829.db2.gz GOTMWMMWABWESR-UHFFFAOYSA-N 1 0 398.301 1.627 20 0 GDADRO O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000423677904 646142761 /nfs/dbraw/zinc/14/27/61/646142761.db2.gz HYPZEDQMPCRHGW-ZENOOKHLSA-N 1 0 379.913 1.711 20 0 GDADRO [NH3+]C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C1CCCC1 ZINC000423967877 646147713 /nfs/dbraw/zinc/14/77/13/646147713.db2.gz SZSRICAHDYWDCC-CYBMUJFWSA-N 1 0 396.285 1.808 20 0 GDADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Cn1cc(Br)ccc1=O ZINC000423983367 646149108 /nfs/dbraw/zinc/14/91/08/646149108.db2.gz SWYBMBJVRKYFOK-HNNXBMFYSA-N 1 0 378.270 1.989 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)Cc3ccccc3Br)C2)nn1 ZINC000424010322 646152721 /nfs/dbraw/zinc/15/27/21/646152721.db2.gz ZWJZOCUPBAYZEX-AWEZNQCLSA-N 1 0 378.274 1.906 20 0 GDADRO Cc1c(C(=O)N2CCCO[C@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000424018623 646153201 /nfs/dbraw/zinc/15/32/01/646153201.db2.gz IYQXENXGDNLYCT-CQSZACIVSA-N 1 0 394.273 1.528 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)CCCO1 ZINC000424020171 646153249 /nfs/dbraw/zinc/15/32/49/646153249.db2.gz LUIGGAMBYATADX-GFCCVEGCSA-N 1 0 385.258 1.339 20 0 GDADRO C[NH2+]CCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000424034022 646155356 /nfs/dbraw/zinc/15/53/56/646155356.db2.gz QDAFMGKPUDFEAO-LLVKDONJSA-N 1 0 381.420 1.440 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000424064050 646158325 /nfs/dbraw/zinc/15/83/25/646158325.db2.gz VBPNYVLOBNLOSC-NSHDSACASA-N 1 0 386.279 1.659 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424362323 646174648 /nfs/dbraw/zinc/17/46/48/646174648.db2.gz LFHRSAGKFWMUOV-CHWSQXEVSA-N 1 0 380.919 1.433 20 0 GDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)[C@H]1SCCc2sccc21 ZINC000432548915 646191285 /nfs/dbraw/zinc/19/12/85/646191285.db2.gz ZXNRQYGIVHABSM-KRWDZBQOSA-N 1 0 383.583 1.585 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Br)ccc1O ZINC000436702510 646205335 /nfs/dbraw/zinc/20/53/35/646205335.db2.gz DAEUWEJIXHVIEN-CQSZACIVSA-N 1 0 398.301 1.827 20 0 GDADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000441353076 646254746 /nfs/dbraw/zinc/25/47/46/646254746.db2.gz UUGLGWPUJMGMLT-ZDUSSCGKSA-N 1 0 387.468 1.391 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1 ZINC000917528191 660215275 /nfs/dbraw/zinc/21/52/75/660215275.db2.gz QWRCRISKUCZPKI-UHFFFAOYSA-N 1 0 376.500 1.048 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1 ZINC000917544541 660215498 /nfs/dbraw/zinc/21/54/98/660215498.db2.gz IWWPMYQQYOCBMO-UHFFFAOYSA-N 1 0 390.933 2.000 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000917551420 660215542 /nfs/dbraw/zinc/21/55/42/660215542.db2.gz CUUQFUPAVXSNHH-DEOSSOPVSA-N 1 0 395.591 1.487 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000917899069 660224069 /nfs/dbraw/zinc/22/40/69/660224069.db2.gz QPXVGNBYWNQFFO-UHFFFAOYSA-N 1 0 375.897 1.488 20 0 GDADRO COc1cc(C)c(S(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)cc1Cl ZINC000917897853 660224107 /nfs/dbraw/zinc/22/41/07/660224107.db2.gz DQARXCOHJNWGHB-UHFFFAOYSA-N 1 0 387.933 1.525 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2ccc(I)s2)CC[C@@H]1[NH3+] ZINC000903485684 659317207 /nfs/dbraw/zinc/31/72/07/659317207.db2.gz DCEOSVUOWMEEIJ-YUMQZZPRSA-N 1 0 386.280 1.711 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000912812807 660055139 /nfs/dbraw/zinc/05/51/39/660055139.db2.gz BIMWEYGVHYIQPT-SOUVJXGZSA-N 1 0 387.571 1.994 20 0 GDADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000918359716 660234371 /nfs/dbraw/zinc/23/43/71/660234371.db2.gz HSSFRWIMJHPZTL-BNOWGMLFSA-N 1 0 386.436 1.474 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000918947123 660243271 /nfs/dbraw/zinc/24/32/71/660243271.db2.gz KKPXNZLTVPQBED-CQSZACIVSA-N 1 0 384.395 1.922 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1Br ZINC000918955999 660243821 /nfs/dbraw/zinc/24/38/21/660243821.db2.gz HTZDMNHZRMFOHN-HNNXBMFYSA-N 1 0 391.331 1.835 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000918960946 660243837 /nfs/dbraw/zinc/24/38/37/660243837.db2.gz BHRSYNHEPBWLHV-MRXNPFEDSA-N 1 0 376.906 1.564 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000918964031 660244037 /nfs/dbraw/zinc/24/40/37/660244037.db2.gz XQWTZAMJAMFUEH-HNNXBMFYSA-N 1 0 382.404 1.504 20 0 GDADRO O=C(NCC1(n2cc(Br)cn2)CC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000919628751 660255394 /nfs/dbraw/zinc/25/53/94/660255394.db2.gz YDFYASCECCJUTD-AWEZNQCLSA-N 1 0 382.306 1.918 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)cc1Cl ZINC000443251240 647194578 /nfs/dbraw/zinc/19/45/78/647194578.db2.gz OWMUKBBNOYLOOK-UHFFFAOYSA-N 1 0 375.878 1.033 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)c1ccsc1 ZINC000443498993 647212281 /nfs/dbraw/zinc/21/22/81/647212281.db2.gz JHLYNSSVARTIFV-HUUCEWRRSA-N 1 0 388.559 1.594 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccc(Cl)nc3)C2)[C@H]1C(C)C ZINC000920296550 660269340 /nfs/dbraw/zinc/26/93/40/660269340.db2.gz UHCAYZIIHGUWCO-SRABZTEZSA-N 1 0 387.933 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O=C(NCc1cc(Br)ccc1Br)[C@@H]1C[NH2+]CCO1 ZINC000646436704 653610307 /nfs/dbraw/zinc/61/03/07/653610307.db2.gz XZJFOHXXQHJMSQ-NSHDSACASA-N 1 0 378.064 1.816 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000646610005 653611486 /nfs/dbraw/zinc/61/14/86/653611486.db2.gz LFMDMTMBZFDDSN-JTQLQIEISA-N 1 0 375.288 1.643 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000646672123 653612289 /nfs/dbraw/zinc/61/22/89/653612289.db2.gz ZNUGFBVOTSUMSF-GFCCVEGCSA-N 1 0 389.315 1.810 20 0 GDADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646796756 653613774 /nfs/dbraw/zinc/61/37/74/653613774.db2.gz ZJOLHVODPWYUAH-ZJUUUORDSA-N 1 0 380.242 1.747 20 0 GDADRO Cc1c(C(=O)N2CCN(C)C[C@H]2C[NH3+])cnn1-c1ccc(Br)cc1 ZINC000646835641 653614756 /nfs/dbraw/zinc/61/47/56/653614756.db2.gz XOFRPBAXPVGNEP-OAHLLOKOSA-N 1 0 392.301 1.658 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000646848364 653614944 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1.464 20 0 GDADRO CCOc1ccc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000647233988 653623914 /nfs/dbraw/zinc/62/39/14/653623914.db2.gz IUCRSZOIHJDNSR-IINYFYTJSA-N 1 0 393.303 1.585 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000647234733 653624100 /nfs/dbraw/zinc/62/41/00/653624100.db2.gz ZATGUQPECYSWAO-KWQFWETISA-N 1 0 383.695 1.839 20 0 GDADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000647300175 653625514 /nfs/dbraw/zinc/62/55/14/653625514.db2.gz XAJCKHDHBBVNSR-WFASDCNBSA-N 1 0 385.555 1.955 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647303199 653625714 /nfs/dbraw/zinc/62/57/14/653625714.db2.gz MHBBMGSTDRYNHY-AWEZNQCLSA-N 1 0 392.930 1.305 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647304766 653625718 /nfs/dbraw/zinc/62/57/18/653625718.db2.gz DWAITHGBQSWOLL-UWVGGRQHSA-N 1 0 379.841 1.285 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 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GDADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cn1 ZINC000671101558 654531493 /nfs/dbraw/zinc/53/14/93/654531493.db2.gz WWVZNLNIBISCQO-UBHSHLNASA-N 1 0 395.301 1.764 20 0 GDADRO C[C@@H]1[C@H](C)N(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@H+]1C ZINC000771467023 654538427 /nfs/dbraw/zinc/53/84/27/654538427.db2.gz OZGMARJQAREENG-NEPJUHHUSA-N 1 0 375.441 1.646 20 0 GDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000771467026 654538647 /nfs/dbraw/zinc/53/86/47/654538647.db2.gz OZGMARJQAREENG-VXGBXAGGSA-N 1 0 375.441 1.646 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000671704403 654542128 /nfs/dbraw/zinc/54/21/28/654542128.db2.gz ITKCZMHXELRLNT-ZDUSSCGKSA-N 1 0 381.274 1.937 20 0 GDADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)s1 ZINC000671772156 654543325 /nfs/dbraw/zinc/54/33/25/654543325.db2.gz RHADXPKERWSIGS-MNOVXSKESA-N 1 0 389.547 1.077 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000672692895 654562286 /nfs/dbraw/zinc/56/22/86/654562286.db2.gz LNPVGQINHIRVOG-KBPBESRZSA-N 1 0 382.555 1.750 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000673351718 654573884 /nfs/dbraw/zinc/57/38/84/654573884.db2.gz KVSACFZTBMJALH-VIFPVBQESA-N 1 0 382.408 1.034 20 0 GDADRO CCNS(=O)(=O)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000772978272 654577422 /nfs/dbraw/zinc/57/74/22/654577422.db2.gz MCOBEVYETDXNFG-UHFFFAOYSA-N 1 0 377.913 1.972 20 0 GDADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccnc(Cl)c1 ZINC000773015850 654578287 /nfs/dbraw/zinc/57/82/87/654578287.db2.gz OILNZGVTDTUGOB-LBPRGKRZSA-N 1 0 383.905 1.972 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CCn2cc(Br)cn2)C1 ZINC000673729102 654581937 /nfs/dbraw/zinc/58/19/37/654581937.db2.gz CDTYHWVAEPIZFY-OAHLLOKOSA-N 1 0 387.322 1.995 20 0 GDADRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773152663 654583589 /nfs/dbraw/zinc/58/35/89/654583589.db2.gz RXDAYJBHGCDGNO-IPYPFGDCSA-N 1 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CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000677688725 654673479 /nfs/dbraw/zinc/67/34/79/654673479.db2.gz JMHKPXSLRDXBLT-KGLIPLIRSA-N 1 0 384.464 1.934 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677731182 654674517 /nfs/dbraw/zinc/67/45/17/654674517.db2.gz FFQVHCFKFUHLPO-LOWVWBTDSA-N 1 0 375.441 1.487 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677731171 654674536 /nfs/dbraw/zinc/67/45/36/654674536.db2.gz FFQVHCFKFUHLPO-DMDPSCGWSA-N 1 0 375.441 1.487 20 0 GDADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677919063 654678628 /nfs/dbraw/zinc/67/86/28/654678628.db2.gz RSYWPZDZHKKPPJ-AWEZNQCLSA-N 1 0 381.267 1.903 20 0 GDADRO CN1C(=O)C[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000678611696 654691914 /nfs/dbraw/zinc/69/19/14/654691914.db2.gz IHGWQRHQBKHAKR-NVXWUHKLSA-N 1 0 385.917 1.625 20 0 GDADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000742074842 654694904 /nfs/dbraw/zinc/69/49/04/654694904.db2.gz NMXLYYXQXIWVCW-CYBMUJFWSA-N 1 0 384.274 1.923 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000742276648 654699038 /nfs/dbraw/zinc/69/90/38/654699038.db2.gz ILULKHVELSCFTK-HUUCEWRRSA-N 1 0 375.535 1.790 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Br ZINC000742286034 654700132 /nfs/dbraw/zinc/70/01/32/654700132.db2.gz WLGDUJYRHDDQSZ-STQMWFEESA-N 1 0 389.315 1.899 20 0 GDADRO C[C@@H](Nc1ncc(Br)cc1S(N)(=O)=O)C(C)(C)C[NH+](C)C ZINC000679470820 654703186 /nfs/dbraw/zinc/70/31/86/654703186.db2.gz UXAGAAVWRISGMR-SECBINFHSA-N 1 0 379.324 1.880 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000742374932 654704602 /nfs/dbraw/zinc/70/46/02/654704602.db2.gz BJUACZDNTCUWPB-MLGOLLRUSA-N 1 0 387.889 1.795 20 0 GDADRO COCCn1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 ZINC000742370823 654704676 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20 0 GDADRO CCC[N@H+](CCN1CCCS1(=O)=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000746515130 654763730 /nfs/dbraw/zinc/76/37/30/654763730.db2.gz GNRLXAIGGXABNQ-OAHLLOKOSA-N 1 0 375.535 1.743 20 0 GDADRO CCNS(=O)(=O)CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746760379 654767251 /nfs/dbraw/zinc/76/72/51/654767251.db2.gz MZAOFGBKAUEWNP-AWEZNQCLSA-N 1 0 376.910 1.181 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cn(-c2ccccc2Br)nn1 ZINC000746881682 654769250 /nfs/dbraw/zinc/76/92/50/654769250.db2.gz BUWRKHBPMJUYKP-LLVKDONJSA-N 1 0 376.258 1.996 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 ZINC000683204284 654770908 /nfs/dbraw/zinc/77/09/08/654770908.db2.gz GYQCVLJLNDOJSG-DZGCQCFKSA-N 1 0 384.318 1.994 20 0 GDADRO COc1cc(F)c(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c(F)c1 ZINC000683338702 654773399 /nfs/dbraw/zinc/77/33/99/654773399.db2.gz KDQOHCHOHZBGBD-GFCCVEGCSA-N 1 0 378.441 1.753 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC(=O)N(c3ccccc3Br)C1)C2 ZINC000683908256 654787315 /nfs/dbraw/zinc/78/73/15/654787315.db2.gz MGDKLJCHAKVQFK-CYBMUJFWSA-N 1 0 392.297 1.966 20 0 GDADRO O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)N1 ZINC000684008472 654789846 /nfs/dbraw/zinc/78/98/46/654789846.db2.gz UGNXDXIDLSBFDN-MGPLVRAMSA-N 1 0 388.251 1.407 20 0 GDADRO COCCNC(=S)N(CC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000747760388 654790908 /nfs/dbraw/zinc/79/09/08/654790908.db2.gz WFNAIDMNIMPTDE-HNNXBMFYSA-N 1 0 379.592 1.115 20 0 GDADRO C[NH+]1CCC2(CCN2C(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000747979254 654797156 /nfs/dbraw/zinc/79/71/56/654797156.db2.gz XGNJLMLGGUDOSD-UHFFFAOYSA-N 1 0 386.315 1.937 20 0 GDADRO CCC(=O)N1CCC([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000684929963 654809577 /nfs/dbraw/zinc/80/95/77/654809577.db2.gz PXIXZVDZWTXOOU-UHFFFAOYSA-N 1 0 387.933 1.999 20 0 GDADRO C[NH+]1CCC(NC(=S)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000781543337 654809932 /nfs/dbraw/zinc/80/99/32/654809932.db2.gz MQNBIPIIUNQDMM-INIZCTEOSA-N 1 0 388.603 1.282 20 0 GDADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)C1 ZINC000748721133 654812210 /nfs/dbraw/zinc/81/22/10/654812210.db2.gz KEDQZILYSQRZBF-ZDUSSCGKSA-N 1 0 385.917 1.806 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000749407885 654833267 /nfs/dbraw/zinc/83/32/67/654833267.db2.gz ROCGINRUHFJLLS-ZDUSSCGKSA-N 1 0 393.289 1.981 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000721746225 654839441 /nfs/dbraw/zinc/83/94/41/654839441.db2.gz POUUVBINYLCMQD-ZIAGYGMSSA-N 1 0 376.519 1.568 20 0 GDADRO CC[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721812236 654839924 /nfs/dbraw/zinc/83/99/24/654839924.db2.gz HTRXKPMOLJJBIW-QLFBSQMISA-N 1 0 376.519 1.425 20 0 GDADRO CO[C@]1(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CCS(=O)(=O)C1 ZINC000724016294 654840619 /nfs/dbraw/zinc/84/06/19/654840619.db2.gz DUZWFAMZMVFFCV-VBQJREDUSA-N 1 0 376.519 1.473 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCc1cnn(C)c1 ZINC000726797806 654858308 /nfs/dbraw/zinc/85/83/08/654858308.db2.gz YUNHEBLXKLMWPP-AWEZNQCLSA-N 1 0 385.921 1.660 20 0 GDADRO CC[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000727062183 654863180 /nfs/dbraw/zinc/86/31/80/654863180.db2.gz APMRCGYQLBFSFB-UHFFFAOYSA-N 1 0 380.297 1.436 20 0 GDADRO CNS(=O)(=O)Cc1ccc(CNC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727073081 654864471 /nfs/dbraw/zinc/86/44/71/654864471.db2.gz JTLDPQQNTBCJDS-UHFFFAOYSA-N 1 0 386.587 1.288 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CCC1 ZINC000783750164 654867829 /nfs/dbraw/zinc/86/78/29/654867829.db2.gz PTFCFRTVMQCGOR-UHFFFAOYSA-N 1 0 385.917 1.949 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)c3ccc(Br)[nH]c3=O)CC2)CC1 ZINC000828517863 654871245 /nfs/dbraw/zinc/87/12/45/654871245.db2.gz RRQNXZRHQRXUGQ-UHFFFAOYSA-N 1 0 383.290 1.402 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[C@@H]2CC2(Cl)Cl)cn1 ZINC000828653016 654876212 /nfs/dbraw/zinc/87/62/12/654876212.db2.gz AKJOCAYBXUWQRP-LLVKDONJSA-N 1 0 376.288 1.473 20 0 GDADRO COC(=O)CC1([NH2+]C[C@H](O)c2ccc(F)cc2F)CCS(=O)(=O)CC1 ZINC000784399595 654885574 /nfs/dbraw/zinc/88/55/74/654885574.db2.gz PLTUMYPKQAVERU-AWEZNQCLSA-N 1 0 377.409 1.098 20 0 GDADRO C[N@H+](CCNC(=O)c1cc(Br)cnc1C1CC1)CCOCCO ZINC000829444801 654899311 /nfs/dbraw/zinc/89/93/11/654899311.db2.gz MGEPXULMQMWQSJ-UHFFFAOYSA-N 1 0 386.290 1.392 20 0 GDADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000829447901 654899986 /nfs/dbraw/zinc/89/99/86/654899986.db2.gz SMPYNFYCJZYAAE-OCCSQVGLSA-N 1 0 385.452 1.572 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)C(=S)NCCS(C)(=O)=O ZINC000729155944 654903323 /nfs/dbraw/zinc/90/33/23/654903323.db2.gz HPFRJNNKPFRCGL-UHFFFAOYSA-N 1 0 377.601 1.811 20 0 GDADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1c(Br)nc2n1CCC2 ZINC000829622821 654907280 /nfs/dbraw/zinc/90/72/80/654907280.db2.gz YDJOHBOLCULHLM-LLVKDONJSA-N 1 0 385.306 1.509 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)c3[nH]nc(C)c3Br)CC2)c1 ZINC000729424456 654909478 /nfs/dbraw/zinc/90/94/78/654909478.db2.gz PVGJWAZRMOHEQW-UHFFFAOYSA-N 1 0 380.246 1.847 20 0 GDADRO C[N@H+](CCO)CCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000829749797 654912673 /nfs/dbraw/zinc/91/26/73/654912673.db2.gz MCXKGJBBZZJGKW-UHFFFAOYSA-N 1 0 381.274 1.348 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNC(=S)Nc1ccc(N(C)C)cc1 ZINC000729645131 654913796 /nfs/dbraw/zinc/91/37/96/654913796.db2.gz SBAAUKQGTCOTDF-OAHLLOKOSA-N 1 0 380.587 1.902 20 0 GDADRO C[NH+](C)CCNC(=S)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000729644813 654913822 /nfs/dbraw/zinc/91/38/22/654913822.db2.gz PUSKZJJXXORLIF-AWEZNQCLSA-N 1 0 388.534 1.005 20 0 GDADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(=O)n(C)cc1Br ZINC000829791450 654914325 /nfs/dbraw/zinc/91/43/25/654914325.db2.gz DOGODWNCNLISKE-GFCCVEGCSA-N 1 0 391.269 1.894 20 0 GDADRO C[C@@]1(C2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)NC(=O)NC1=O ZINC000752002702 654916432 /nfs/dbraw/zinc/91/64/32/654916432.db2.gz OTAIZAQMYCDTAI-YOEHRIQHSA-N 1 0 396.285 1.793 20 0 GDADRO CSCCNC(=S)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000752753003 654935109 /nfs/dbraw/zinc/93/51/09/654935109.db2.gz BISKPCWAPIUSBX-MRXNPFEDSA-N 1 0 380.583 1.711 20 0 GDADRO C[NH+]1CCN(Cc2ccc(C(=O)Nn3cc(Br)cn3)cc2)CC1 ZINC000752902617 654938815 /nfs/dbraw/zinc/93/88/15/654938815.db2.gz PFNCKGZDVVFRCK-UHFFFAOYSA-N 1 0 378.274 1.777 20 0 GDADRO C[NH+]1CCN(C[C@H](NS(=O)(=O)c2c[nH]nc2Cl)c2ccccc2)CC1 ZINC000830371649 654942408 /nfs/dbraw/zinc/94/24/08/654942408.db2.gz KOFPWLYBFWSFSK-AWEZNQCLSA-N 1 0 383.905 1.330 20 0 GDADRO CCS(=O)(=O)NCCC[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000753142629 654943254 /nfs/dbraw/zinc/94/32/54/654943254.db2.gz FTVNKHXNGNOLHF-UHFFFAOYSA-N 1 0 377.551 1.895 20 0 GDADRO [NH3+][C@@H](CC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CC1 ZINC000830612964 654951270 /nfs/dbraw/zinc/95/12/70/654951270.db2.gz DSADQEPQGJCYFS-HNNXBMFYSA-N 1 0 385.555 1.709 20 0 GDADRO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000802654268 654951727 /nfs/dbraw/zinc/95/17/27/654951727.db2.gz HQXYKFGEZPFYHC-VXGQWTEUSA-N 1 0 375.535 1.834 20 0 GDADRO C[C@@H]1C[C@H](CCNC(=S)NCCS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000753673857 654954827 /nfs/dbraw/zinc/95/48/27/654954827.db2.gz QLADTAVBHODSLT-WBVHZDCISA-N 1 0 383.583 1.796 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(C)(C)C[NH+](C)C ZINC000830828095 654960038 /nfs/dbraw/zinc/96/00/38/654960038.db2.gz URXCYJYGDGZNGR-NSHDSACASA-N 1 0 396.962 1.998 20 0 GDADRO C[C@H]1C[C@@H](NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C[N@@H+]1C1CC1 ZINC000753965982 654961919 /nfs/dbraw/zinc/96/19/19/654961919.db2.gz VGBKXGHYWOFDEH-GXTWGEPZSA-N 1 0 382.555 1.849 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000831029186 654966803 /nfs/dbraw/zinc/96/68/03/654966803.db2.gz UWASXTODQPXCEO-CQSZACIVSA-N 1 0 375.535 1.838 20 0 GDADRO Cn1ncc(I)c1CNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000831072047 654968834 /nfs/dbraw/zinc/96/88/34/654968834.db2.gz BVVVPSYHKQHGPC-UHFFFAOYSA-N 1 0 399.236 1.411 20 0 GDADRO C[C@@H]([NH2+][C@H](CCO)c1cccs1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000754384964 654971400 /nfs/dbraw/zinc/97/14/00/654971400.db2.gz HBDOTOKSWHUMSY-BXUZGUMPSA-N 1 0 383.495 1.436 20 0 GDADRO CCCCN(C(=O)C[NH2+][C@@H](CCO)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000754396057 654971599 /nfs/dbraw/zinc/97/15/99/654971599.db2.gz QTCBBOULQTXBOD-CABCVRRESA-N 1 0 388.555 1.577 20 0 GDADRO C[C@@H]([NH3+])c1ccc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000831191473 654975527 /nfs/dbraw/zinc/97/55/27/654975527.db2.gz NEOUYIWHXPROFO-SNVBAGLBSA-N 1 0 379.404 1.750 20 0 GDADRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000754666646 654976558 /nfs/dbraw/zinc/97/65/58/654976558.db2.gz TYLWHOYEKPMZNC-GJZGRUSLSA-N 1 0 375.535 1.599 20 0 GDADRO CON(C)C(=O)CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000788020282 654978785 /nfs/dbraw/zinc/97/87/85/654978785.db2.gz PDEAPLOEVYIALK-LBPRGKRZSA-N 1 0 399.289 1.905 20 0 GDADRO COC(=O)CCCCCS(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000788052565 654979847 /nfs/dbraw/zinc/97/98/47/654979847.db2.gz FZKDMGZNZQOLQA-INIZCTEOSA-N 1 0 376.519 1.283 20 0 GDADRO COc1cc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cnc1Br ZINC000788216269 654986833 /nfs/dbraw/zinc/98/68/33/654986833.db2.gz QAJUCNRYUJBDNQ-CYBMUJFWSA-N 1 0 397.317 1.751 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000831546161 654986884 /nfs/dbraw/zinc/98/68/84/654986884.db2.gz MZASKZMPVBVWMS-LLVKDONJSA-N 1 0 384.278 1.736 20 0 GDADRO [NH3+]C1(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CCC1 ZINC000831554682 654987015 /nfs/dbraw/zinc/98/70/15/654987015.db2.gz RCMVKZWYFRKNGP-UHFFFAOYSA-N 1 0 386.905 1.133 20 0 GDADRO O=C1C[C@@]2(CC[N@@H+](Cn3ccc(=O)c4cccc(Br)c43)C2)CN1 ZINC000788384645 654991669 /nfs/dbraw/zinc/99/16/69/654991669.db2.gz YWZCIEJFLDDYER-KRWDZBQOSA-N 1 0 376.254 1.934 20 0 GDADRO O=C(c1ccc(N2CCCS2(=O)=O)cc1Cl)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000831705692 654993134 /nfs/dbraw/zinc/99/31/34/654993134.db2.gz AXBHJLIWZYTPOC-LRDDRELGSA-N 1 0 383.901 1.704 20 0 GDADRO O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000788486150 654994863 /nfs/dbraw/zinc/99/48/63/654994863.db2.gz UZXQAKVAHFFIMJ-BZUAXINKSA-N 1 0 383.583 1.473 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCSC(F)(F)F)o1 ZINC000788517140 654996170 /nfs/dbraw/zinc/99/61/70/654996170.db2.gz AWUJVESDNRZTTB-UHFFFAOYSA-N 1 0 381.420 1.847 20 0 GDADRO C[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831822438 654998735 /nfs/dbraw/zinc/99/87/35/654998735.db2.gz BVNSFQYTIYKYJW-AWEZNQCLSA-N 1 0 375.535 1.647 20 0 GDADRO O=S(=O)(Cc1ccccc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804975247 655006438 /nfs/dbraw/zinc/00/64/38/655006438.db2.gz BOWYQBLHPDRVBK-KGLIPLIRSA-N 1 0 389.315 1.732 20 0 GDADRO O=C(NC[C@H]1CSCCS1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000756055080 655009008 /nfs/dbraw/zinc/00/90/08/655009008.db2.gz RPJZAOZOGRPZMW-FUHWJXTLSA-N 1 0 381.567 1.771 20 0 GDADRO Cc1nc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(Br)n1C ZINC000805014951 655011708 /nfs/dbraw/zinc/01/17/08/655011708.db2.gz QIUQQGSZEVCAQL-MWLCHTKSSA-N 1 0 379.324 1.452 20 0 GDADRO C[NH+](C)CCNC(=S)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000789320487 655016218 /nfs/dbraw/zinc/01/62/18/655016218.db2.gz VSOYDFGAJKQEQL-UHFFFAOYSA-N 1 0 383.461 1.635 20 0 GDADRO CC[NH+]1CCN(CCC(=O)Nc2cn3cc(Br)ncc3n2)CC1 ZINC000832340657 655028207 /nfs/dbraw/zinc/02/82/07/655028207.db2.gz CDQJVJPLHNMRGE-UHFFFAOYSA-N 1 0 381.278 1.458 20 0 GDADRO C[NH2+]CCNC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000832573198 655037905 /nfs/dbraw/zinc/03/79/05/655037905.db2.gz IBTRQTBSEDEHHG-UHFFFAOYSA-N 1 0 392.319 1.475 20 0 GDADRO C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)C[C@@H](O)c1ccccc1Br ZINC000832673159 655044272 /nfs/dbraw/zinc/04/42/72/655044272.db2.gz PCMKUPSKPZGILZ-GRDNDAEWSA-N 1 0 388.302 1.971 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cnc(Cl)c(OC)c2)CC1 ZINC000832680586 655044469 /nfs/dbraw/zinc/04/44/69/655044469.db2.gz SSDRONWAELDMHZ-UHFFFAOYSA-N 1 0 390.937 1.438 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2scnc2Br)CC1 ZINC000757932435 655046638 /nfs/dbraw/zinc/04/66/38/655046638.db2.gz MSSDPFAJZXWGGT-SNVBAGLBSA-N 1 0 387.303 1.460 20 0 GDADRO O=C(NC[C@@H]1CSCCS1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000806470634 655066009 /nfs/dbraw/zinc/06/60/09/655066009.db2.gz ZQSYEUCTCSZZDS-IMJJTQAJSA-N 1 0 383.583 1.427 20 0 GDADRO COCC[NH2+]CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000834412209 655066240 /nfs/dbraw/zinc/06/62/40/655066240.db2.gz QTAMFBPCQLJNIQ-UHFFFAOYSA-N 1 0 391.921 1.383 20 0 GDADRO C[NH+]1CCC(NC(=S)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000806605195 655069239 /nfs/dbraw/zinc/06/92/39/655069239.db2.gz KOEFQBUDCXUZAR-HNNXBMFYSA-N 1 0 382.555 1.008 20 0 GDADRO CS[C@H]1CN(C(=O)CCNC(=O)OCC(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000758791239 655071581 /nfs/dbraw/zinc/07/15/81/655071581.db2.gz LLWQTQTUVKLROL-NEPJUHHUSA-N 1 0 383.436 1.703 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000834565216 655073144 /nfs/dbraw/zinc/07/31/44/655073144.db2.gz RTGAVVKCRKYRKC-DOTOQJQBSA-N 1 0 383.286 1.668 20 0 GDADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2ncc(I)n2c1 ZINC000834795975 655078484 /nfs/dbraw/zinc/07/84/84/655078484.db2.gz HWXKJEQKHWEHNI-UWVGGRQHSA-N 1 0 388.184 1.369 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000807244747 655080079 /nfs/dbraw/zinc/08/00/79/655080079.db2.gz QBWLWXRFIKLPIQ-RWMBFGLXSA-N 1 0 379.448 1.578 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000834841900 655081038 /nfs/dbraw/zinc/08/10/38/655081038.db2.gz WAHIVUTWFIZBNJ-LBPRGKRZSA-N 1 0 381.832 1.317 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000792554439 655094638 /nfs/dbraw/zinc/09/46/38/655094638.db2.gz BRPGRPAAWGQAHW-MRVPVSSYSA-N 1 0 398.348 1.618 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NOCC(F)F ZINC000760140316 655102925 /nfs/dbraw/zinc/10/29/25/655102925.db2.gz FGANXMSENVXOCB-UHFFFAOYSA-N 1 0 379.429 1.152 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000792987939 655104914 /nfs/dbraw/zinc/10/49/14/655104914.db2.gz SPYBPZIVCAQTOZ-UHFFFAOYSA-N 1 0 399.289 1.352 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)n2)C1 ZINC000792996296 655105374 /nfs/dbraw/zinc/10/53/74/655105374.db2.gz LQQJPJVTZJGREG-LBPRGKRZSA-N 1 0 383.290 1.891 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cnc1Br ZINC000835489277 655106211 /nfs/dbraw/zinc/10/62/11/655106211.db2.gz XJUMESGODAHYDZ-CYBMUJFWSA-N 1 0 399.289 1.054 20 0 GDADRO CN(C(=O)c1cnn(C)c1Br)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000760371527 655110302 /nfs/dbraw/zinc/11/03/02/655110302.db2.gz ABHAYDSAEJNCMX-ZDUSSCGKSA-N 1 0 384.322 1.423 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000793322775 655116801 /nfs/dbraw/zinc/11/68/01/655116801.db2.gz RONCDRDRVZIAAW-QGZVFWFLSA-N 1 0 382.555 1.661 20 0 GDADRO C[C@@H]([NH2+]CCC1(O)CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000793565692 655119903 /nfs/dbraw/zinc/11/99/03/655119903.db2.gz RCMSBVWOZWVISA-CYBMUJFWSA-N 1 0 390.527 1.368 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(Br)o1)[NH+]1CCCCC1 ZINC000793716474 655122356 /nfs/dbraw/zinc/12/23/56/655122356.db2.gz ZPJCKZSRRSYRGK-LBPRGKRZSA-N 1 0 386.290 1.991 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000793900839 655126658 /nfs/dbraw/zinc/12/66/58/655126658.db2.gz KIASCBLVOFSPAE-DGADGQDISA-N 1 0 385.599 1.719 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000809531089 655132472 /nfs/dbraw/zinc/13/24/72/655132472.db2.gz ZUQQMHPTMGTASW-XUWVNRHRSA-N 1 0 383.583 1.569 20 0 GDADRO CC(C)(C)OC(=O)NC1CC([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000809628309 655134593 /nfs/dbraw/zinc/13/45/93/655134593.db2.gz SULDWZMYYFBYCX-WXRRBKDZSA-N 1 0 390.527 1.528 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)c(I)n1 ZINC000761138189 655134691 /nfs/dbraw/zinc/13/46/91/655134691.db2.gz OTKSLMGSIHZLKZ-JTQLQIEISA-N 1 0 389.237 1.909 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000809701724 655135454 /nfs/dbraw/zinc/13/54/54/655135454.db2.gz JIICYWNYYBIWSO-AAEUAGOBSA-N 1 0 375.516 1.386 20 0 GDADRO COCCN(CC[NH+](C)C)Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000809740497 655136025 /nfs/dbraw/zinc/13/60/25/655136025.db2.gz AXGDTMMNXPBIAJ-AWEZNQCLSA-N 1 0 392.953 1.215 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(Br)nn2C)cc1O ZINC000809748093 655136054 /nfs/dbraw/zinc/13/60/54/655136054.db2.gz JIEFKRYJBJGOQZ-LBPRGKRZSA-N 1 0 384.274 1.838 20 0 GDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCS(=O)(=O)C1CCOCC1 ZINC000836286642 655138054 /nfs/dbraw/zinc/13/80/54/655138054.db2.gz APSKQUMUWFICCX-GJZGRUSLSA-N 1 0 375.535 1.142 20 0 GDADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000810097349 655150035 /nfs/dbraw/zinc/15/00/35/655150035.db2.gz HKMLXVNHKMKWBW-UHFFFAOYSA-N 1 0 378.926 1.503 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccnc(Br)c1 ZINC000836692926 655151086 /nfs/dbraw/zinc/15/10/86/655151086.db2.gz MPSLDPANPMCPFX-CYBMUJFWSA-N 1 0 398.305 1.908 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1nc(C)n(C)c1Br ZINC000810117402 655151420 /nfs/dbraw/zinc/15/14/20/655151420.db2.gz BBGLWEKNPKIADK-SNVBAGLBSA-N 1 0 381.340 1.890 20 0 GDADRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000810257458 655153976 /nfs/dbraw/zinc/15/39/76/655153976.db2.gz RKGNTVPCENTPTG-AGIUHOORSA-N 1 0 378.516 1.486 20 0 GDADRO COc1cc(Br)n(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000762471188 655165537 /nfs/dbraw/zinc/16/55/37/655165537.db2.gz CMWDXYYNEGNFDN-LBPRGKRZSA-N 1 0 389.294 1.127 20 0 GDADRO [NH3+]C1(CO)CCN(c2ncnc3cccc(I)c32)CC1 ZINC000762800695 655177149 /nfs/dbraw/zinc/17/71/49/655177149.db2.gz CKCKWALTBDQWAS-UHFFFAOYSA-N 1 0 384.221 1.524 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c(Br)nc2n1CCCC2 ZINC000837480855 655185337 /nfs/dbraw/zinc/18/53/37/655185337.db2.gz MREWVLLRDAHGJC-ZDUSSCGKSA-N 1 0 399.333 1.949 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000811472912 655197644 /nfs/dbraw/zinc/19/76/44/655197644.db2.gz LYHYWWMVJISYSP-HNNXBMFYSA-N 1 0 377.551 1.939 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000796114597 655203675 /nfs/dbraw/zinc/20/36/75/655203675.db2.gz MLUSUTBRYJMTLO-NWDGAFQWSA-N 1 0 387.889 1.769 20 0 GDADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000796263643 655209135 /nfs/dbraw/zinc/20/91/35/655209135.db2.gz BLDBVIDYAZMYCF-UHFFFAOYSA-N 1 0 383.905 1.743 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C[C@@H]2C1 ZINC000812341540 655211647 /nfs/dbraw/zinc/21/16/47/655211647.db2.gz HCJAULBUFFZQEM-KGLIPLIRSA-N 1 0 385.917 1.419 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000796482240 655213299 /nfs/dbraw/zinc/21/32/99/655213299.db2.gz LQVUTDAEYHDMHD-SOUVJXGZSA-N 1 0 375.535 1.693 20 0 GDADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000812731307 655220241 /nfs/dbraw/zinc/22/02/41/655220241.db2.gz FDAFQPNMEKDPMM-ZFWWWQNUSA-N 1 0 375.535 1.503 20 0 GDADRO CC(C)C[C@H](NC(=O)NC[C@@]1(C)CC1(Cl)Cl)C(=O)NCC[NH+](C)C ZINC000838664097 655222235 /nfs/dbraw/zinc/22/22/35/655222235.db2.gz RMPIWNASSCDFEL-SWLSCSKDSA-N 1 0 381.348 1.962 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000797115367 655230720 /nfs/dbraw/zinc/23/07/20/655230720.db2.gz CWZSLQWEBSKFRR-RRFJBIMHSA-N 1 0 375.535 1.836 20 0 GDADRO CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000838989933 655235078 /nfs/dbraw/zinc/23/50/78/655235078.db2.gz ISKLHVGHDYUCMW-KBPBESRZSA-N 1 0 375.535 1.599 20 0 GDADRO CCS(=O)(=O)NC1CC[NH+](CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000839098053 655239775 /nfs/dbraw/zinc/23/97/75/655239775.db2.gz UXIITZWLRKAGIB-UHFFFAOYSA-N 1 0 375.535 1.695 20 0 GDADRO C[NH+](C)CCCNC(=S)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000765513595 655242371 /nfs/dbraw/zinc/24/23/71/655242371.db2.gz OYHZDPPOAZBWPI-CQSZACIVSA-N 1 0 399.358 1.748 20 0 GDADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC1(Cl)Cl ZINC000839254867 655242664 /nfs/dbraw/zinc/24/26/64/655242664.db2.gz OFMMYXFJOYZTCH-GJZGRUSLSA-N 1 0 384.307 1.812 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1nc(C2CC2)ncc1Br ZINC000813809975 655246731 /nfs/dbraw/zinc/24/67/31/655246731.db2.gz YSNFWQSZZLKAEW-GFCCVEGCSA-N 1 0 383.290 1.693 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000839491277 655249154 /nfs/dbraw/zinc/24/91/54/655249154.db2.gz NAHNPWOVIHPLJB-CQSZACIVSA-N 1 0 375.535 1.647 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000798228394 655259048 /nfs/dbraw/zinc/25/90/48/655259048.db2.gz KAIKPWFGDMMSMR-LBPRGKRZSA-N 1 0 396.481 1.645 20 0 GDADRO C[N@H+](C[C@H](O)c1cccc(Br)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000839644467 655259799 /nfs/dbraw/zinc/25/97/99/655259799.db2.gz XHLJDNGMRWKLSF-WFASDCNBSA-N 1 0 391.331 1.696 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000798331287 655262751 /nfs/dbraw/zinc/26/27/51/655262751.db2.gz NKTPUXLKOGUFDG-CYBMUJFWSA-N 1 0 385.917 1.791 20 0 GDADRO C[NH+](C)CCCNC(=S)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000798374267 655264769 /nfs/dbraw/zinc/26/47/69/655264769.db2.gz JQIDVJIRHLWKDY-UHFFFAOYSA-N 1 0 392.978 1.424 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814392620 655265126 /nfs/dbraw/zinc/26/51/26/655265126.db2.gz ABFUBTDFJCOETK-UHFFFAOYSA-N 1 0 375.882 1.038 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCSC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766446669 655266743 /nfs/dbraw/zinc/26/67/43/655266743.db2.gz PXXRUTCGDRPDSQ-GXTWGEPZSA-N 1 0 392.568 1.958 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(Cl)cc(Cl)n1 ZINC000798555780 655270436 /nfs/dbraw/zinc/27/04/36/655270436.db2.gz REFYTDKMJWLRNL-UHFFFAOYSA-N 1 0 389.283 1.251 20 0 GDADRO CCS(=O)(=O)NCC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814645623 655273239 /nfs/dbraw/zinc/27/32/39/655273239.db2.gz YDSXUXHFNBXBPR-UHFFFAOYSA-N 1 0 375.535 1.649 20 0 GDADRO C[NH+]1CCC(CNC(=O)NC[C@H]2CC2(Cl)Cl)(N2CCOCC2)CC1 ZINC000840243154 655281954 /nfs/dbraw/zinc/28/19/54/655281954.db2.gz KCTBBCCHICFRGF-CYBMUJFWSA-N 1 0 379.332 1.276 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000767313900 655289068 /nfs/dbraw/zinc/28/90/68/655289068.db2.gz ATMPTGVCPPYZCQ-UWVGGRQHSA-N 1 0 393.918 1.188 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@@H+]2CCCS(N)(=O)=O)C1 ZINC000815199392 655289951 /nfs/dbraw/zinc/28/99/51/655289951.db2.gz DHMNPTPEIGWIRW-LSDHHAIUSA-N 1 0 375.535 1.777 20 0 GDADRO CSCCNC(=S)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000840866286 655299927 /nfs/dbraw/zinc/29/99/27/655299927.db2.gz QNKYEJGSFKLZNY-UHFFFAOYSA-N 1 0 380.583 1.711 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000815704504 655302622 /nfs/dbraw/zinc/30/26/22/655302622.db2.gz IWKKEBFFQPRMCZ-KWQFWETISA-N 1 0 387.665 1.599 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)s1 ZINC000840952002 655305917 /nfs/dbraw/zinc/30/59/17/655305917.db2.gz GXVTVBHLRTWZBZ-STQMWFEESA-N 1 0 375.516 1.408 20 0 GDADRO COc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cnc1Cl ZINC000767822162 655306249 /nfs/dbraw/zinc/30/62/49/655306249.db2.gz HOLZVLHHJQOHKI-KWCYVHTRSA-N 1 0 389.905 1.616 20 0 GDADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841076673 655308406 /nfs/dbraw/zinc/30/84/06/655308406.db2.gz LRLIEFPOUDQUQD-OAGGEKHMSA-N 1 0 377.535 1.767 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000841096525 655308797 /nfs/dbraw/zinc/30/87/97/655308797.db2.gz WVPYXBJCLVRPDJ-VIFPVBQESA-N 1 0 381.376 1.862 20 0 GDADRO C[C@](O)(C1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1)C(F)(F)F ZINC000767912334 655309163 /nfs/dbraw/zinc/30/91/63/655309163.db2.gz COSWSTOZKFOTLX-HNNXBMFYSA-N 1 0 380.432 1.902 20 0 GDADRO CN(CC(F)(F)Br)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000841130329 655309412 /nfs/dbraw/zinc/30/94/12/655309412.db2.gz OFMKJZGWFBKFJK-UHFFFAOYSA-N 1 0 376.201 1.717 20 0 GDADRO Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(Br)n1 ZINC000841151236 655310755 /nfs/dbraw/zinc/31/07/55/655310755.db2.gz FCJVINJRCBCIBD-LLVKDONJSA-N 1 0 384.278 1.471 20 0 GDADRO CN1CCN(c2ccc(NC(=O)C(C)(C)C(N)=O)cc2Br)CC1 ZINC000768003857 655310810 /nfs/dbraw/zinc/31/08/10/655310810.db2.gz YVGQUMFQYSAEGU-UHFFFAOYSA-N 1 0 383.290 1.651 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841163973 655311597 /nfs/dbraw/zinc/31/15/97/655311597.db2.gz MSFQNFWZYXACNU-LURJTMIESA-N 1 0 383.168 1.655 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000841169237 655311985 /nfs/dbraw/zinc/31/19/85/655311985.db2.gz YRCPGQQMZMCDSW-UHFFFAOYSA-N 1 0 377.670 1.940 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000841187193 655312985 /nfs/dbraw/zinc/31/29/85/655312985.db2.gz OYBRJGZTWRQZFM-UHFFFAOYSA-N 1 0 377.413 1.255 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000841203379 655314006 /nfs/dbraw/zinc/31/40/06/655314006.db2.gz IDLZEHQAWZUCBE-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cnc1Br ZINC000841234292 655316131 /nfs/dbraw/zinc/31/61/31/655316131.db2.gz HKTOQQILLJXWLG-INIZCTEOSA-N 1 0 381.274 1.693 20 0 GDADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000841246991 655317111 /nfs/dbraw/zinc/31/71/11/655317111.db2.gz LFPYEBYFCCGIEO-GFCCVEGCSA-N 1 0 381.274 1.631 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000841245509 655317116 /nfs/dbraw/zinc/31/71/16/655317116.db2.gz LLOSBOAEMKNYDU-HAQNSBGRSA-N 1 0 383.290 1.972 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cnc1Br ZINC000841251773 655317531 /nfs/dbraw/zinc/31/75/31/655317531.db2.gz QBVHDVPMYFAXHB-TXEJJXNPSA-N 1 0 381.274 1.549 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000841256135 655317646 /nfs/dbraw/zinc/31/76/46/655317646.db2.gz FTUZPDGTDLIHLU-ZCFIWIBFSA-N 1 0 394.067 1.399 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841274289 655318485 /nfs/dbraw/zinc/31/84/85/655318485.db2.gz QKIFHWZKYZVQEL-QMMMGPOBSA-N 1 0 379.816 1.698 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)C[C@H]1[NH3+] ZINC000841281699 655318719 /nfs/dbraw/zinc/31/87/19/655318719.db2.gz SYEBEMCDFHKLEU-MWLCHTKSSA-N 1 0 377.242 1.741 20 0 GDADRO C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000841335862 655319173 /nfs/dbraw/zinc/31/91/73/655319173.db2.gz WLMSSJHKVIABKW-JOYOIKCWSA-N 1 0 382.408 1.698 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000816508704 655327984 /nfs/dbraw/zinc/32/79/84/655327984.db2.gz SCKGGLBSFOEYNL-CYBMUJFWSA-N 1 0 385.306 1.818 20 0 GDADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000816557087 655329001 /nfs/dbraw/zinc/32/90/01/655329001.db2.gz DOJVXYQPQSPQNO-NEPJUHHUSA-N 1 0 392.465 1.246 20 0 GDADRO C[C@H](C[S@@](C)=O)[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000816567721 655329165 /nfs/dbraw/zinc/32/91/65/655329165.db2.gz KEYFUYUUQDDFMH-PJGQNWHFSA-N 1 0 375.535 1.106 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)ccc1F ZINC000841504138 655332273 /nfs/dbraw/zinc/33/22/73/655332273.db2.gz AHIBTUORDHMLTB-LBPRGKRZSA-N 1 0 384.454 1.308 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3cc(Br)cnc3Cl)C2)CC1 ZINC000816752235 655335116 /nfs/dbraw/zinc/33/51/16/655335116.db2.gz VHFPAAAIDPTKDY-UHFFFAOYSA-N 1 0 387.709 1.817 20 0 GDADRO COc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)nc1Br ZINC000816750116 655335195 /nfs/dbraw/zinc/33/51/95/655335195.db2.gz IDLMFSMZIZESDW-STQMWFEESA-N 1 0 384.274 1.788 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(-c4ccccc4Br)nn3)[C@@H]2C1 ZINC000816953041 655339668 /nfs/dbraw/zinc/33/96/68/655339668.db2.gz XQRRQEBXSJYUAL-XHDPSFHLSA-N 1 0 376.258 1.806 20 0 GDADRO C[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000841723169 655352742 /nfs/dbraw/zinc/35/27/42/655352742.db2.gz NAHSBQXIOIZGTI-MFKMUULPSA-N 1 0 376.429 1.416 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000841814680 655354042 /nfs/dbraw/zinc/35/40/42/655354042.db2.gz WPZIKTMMXZUAPR-OLZOCXBDSA-N 1 0 382.477 1.068 20 0 GDADRO C[C@]1(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1(Cl)Cl ZINC000841911236 655354629 /nfs/dbraw/zinc/35/46/29/655354629.db2.gz SBNVUDKGWJWMBC-SWLSCSKDSA-N 1 0 377.316 1.424 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000841918763 655354699 /nfs/dbraw/zinc/35/46/99/655354699.db2.gz BEVSWLMJNKOXHY-HNNXBMFYSA-N 1 0 375.300 1.621 20 0 GDADRO C[C@]1(CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1(Cl)Cl ZINC000841912336 655354709 /nfs/dbraw/zinc/35/47/09/655354709.db2.gz JMYMQAHFMNCEQT-DOMZBBRYSA-N 1 0 379.332 1.990 20 0 GDADRO C[C@@](O)(CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccsc1 ZINC000841989211 655355064 /nfs/dbraw/zinc/35/50/64/655355064.db2.gz OUOVKNFAKFIRFC-GXTWGEPZSA-N 1 0 380.436 1.091 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)C1 ZINC000842019993 655355224 /nfs/dbraw/zinc/35/52/24/655355224.db2.gz BKGLMZBZVXKDDQ-OCCSQVGLSA-N 1 0 384.933 1.670 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)[C@@H]1C[NH3+] ZINC000842022425 655355535 /nfs/dbraw/zinc/35/55/35/655355535.db2.gz ZIYMLOIRPYFNRA-GXTWGEPZSA-N 1 0 384.933 1.670 20 0 GDADRO [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000842182505 655357894 /nfs/dbraw/zinc/35/78/94/655357894.db2.gz GRACLBCZDKSMFB-BZUAXINKSA-N 1 0 379.551 1.300 20 0 GDADRO CS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)s1 ZINC000817731952 655358106 /nfs/dbraw/zinc/35/81/06/655358106.db2.gz AURQGOWVPRLSRQ-SNVBAGLBSA-N 1 0 382.467 1.350 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000817807287 655359158 /nfs/dbraw/zinc/35/91/58/655359158.db2.gz OZEXBHXVPBBRGW-OAHLLOKOSA-N 1 0 398.301 1.151 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000842232140 655359857 /nfs/dbraw/zinc/35/98/57/655359857.db2.gz QHGFXTUAUACBLX-CQSZACIVSA-N 1 0 384.274 1.075 20 0 GDADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C[C@H]1C[NH3+] ZINC000817863655 655361213 /nfs/dbraw/zinc/36/12/13/655361213.db2.gz JGSSZPRMLKFXCW-GRYCIOLGSA-N 1 0 396.481 1.677 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1F ZINC000817863801 655361214 /nfs/dbraw/zinc/36/12/14/655361214.db2.gz QYBIQGKXEBAQDM-MXWKQRLJSA-N 1 0 376.425 1.745 20 0 GDADRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000817939688 655362657 /nfs/dbraw/zinc/36/26/57/655362657.db2.gz ANJHTAOOOKGXLU-AWEZNQCLSA-N 1 0 381.489 1.665 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CCO[C@@H](c3ccccc3Br)C2)CC1 ZINC000817944933 655362805 /nfs/dbraw/zinc/36/28/05/655362805.db2.gz PIUPMQGLBQZYDL-OAHLLOKOSA-N 1 0 396.285 1.299 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000817990123 655363607 /nfs/dbraw/zinc/36/36/07/655363607.db2.gz XHTSWQPIGLUYPT-SWLSCSKDSA-N 1 0 398.301 1.138 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2ccccc2Br)C[C@H](C)[NH2+]1 ZINC000817993199 655363769 /nfs/dbraw/zinc/36/37/69/655363769.db2.gz CPKJOISFTNHRPT-TYNCELHUSA-N 1 0 398.301 1.150 20 0 GDADRO C[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1C[NH3+] ZINC000842477584 655366656 /nfs/dbraw/zinc/36/66/56/655366656.db2.gz AVTOABXIAPPROE-VXGBXAGGSA-N 1 0 375.441 1.538 20 0 GDADRO C[NH2+]CCCN(C)S(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000842484422 655367967 /nfs/dbraw/zinc/36/79/67/655367967.db2.gz GBOZCUQTGNHLHN-UHFFFAOYSA-N 1 0 385.305 1.527 20 0 GDADRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(F)F ZINC000842484188 655367826 /nfs/dbraw/zinc/36/78/26/655367826.db2.gz XWHDIBJBNOGSBF-SSDOTTSWSA-N 1 0 396.359 1.241 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000842485224 655368080 /nfs/dbraw/zinc/36/80/80/655368080.db2.gz FPCNIENIXDBBGK-MNOVXSKESA-N 1 0 379.404 1.793 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N(C)CC[NH3+])c1 ZINC000842485805 655368195 /nfs/dbraw/zinc/36/81/95/655368195.db2.gz MLXXGPRIKHHIRJ-UHFFFAOYSA-N 1 0 379.276 1.513 20 0 GDADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2sc(C(=O)OC)cc2Br)C1 ZINC000842684071 655371111 /nfs/dbraw/zinc/37/11/11/655371111.db2.gz WSVYSBINKSEBSL-SSDOTTSWSA-N 1 0 383.289 1.280 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1)C(F)F ZINC000842688231 655371273 /nfs/dbraw/zinc/37/12/73/655371273.db2.gz KYQLVJALBKJAPS-UHFFFAOYSA-N 1 0 394.465 1.588 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000842691313 655371399 /nfs/dbraw/zinc/37/13/99/655371399.db2.gz FTFALDYWVQXOTH-ZWNOBZJWSA-N 1 0 380.919 1.634 20 0 GDADRO O=S(=O)(NC[C@@H]1CCCC[NH2+]1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842697715 655371668 /nfs/dbraw/zinc/37/16/68/655371668.db2.gz RCAPFPIHPAGTOA-JTQLQIEISA-N 1 0 386.417 1.401 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)C[NH3+])c(F)cc1Br ZINC000842708392 655372522 /nfs/dbraw/zinc/37/25/22/655372522.db2.gz ZJHXMRRXSUWMRK-UHFFFAOYSA-N 1 0 383.239 1.390 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)C[NH3+])c(Br)cc1Cl ZINC000842706617 655372570 /nfs/dbraw/zinc/37/25/70/655372570.db2.gz CDFNRRXSGFUOSK-UHFFFAOYSA-N 1 0 399.694 1.905 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c(Br)o1 ZINC000842720904 655373505 /nfs/dbraw/zinc/37/35/05/655373505.db2.gz BQZXZSUDUSFVJL-DTWKUNHWSA-N 1 0 395.275 1.577 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000842724142 655373792 /nfs/dbraw/zinc/37/37/92/655373792.db2.gz QEOBXKBNNZAZQL-GFCCVEGCSA-N 1 0 393.303 1.887 20 0 GDADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000842736499 655374377 /nfs/dbraw/zinc/37/43/77/655374377.db2.gz DSWMKEJQWJWKIQ-UHFFFAOYSA-N 1 0 379.479 1.088 20 0 GDADRO C[C@@H]([NH3+])c1ccc(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000818433998 655374578 /nfs/dbraw/zinc/37/45/78/655374578.db2.gz NXTNSFBKARFHEE-LLVKDONJSA-N 1 0 375.441 1.701 20 0 GDADRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000818434513 655374726 /nfs/dbraw/zinc/37/47/26/655374726.db2.gz VQMBEJMKUGZZBS-KBPBESRZSA-N 1 0 381.489 1.665 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000818564977 655376496 /nfs/dbraw/zinc/37/64/96/655376496.db2.gz JVDNMOVTFYFXBD-GXTWGEPZSA-N 1 0 385.917 1.934 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842778144 655376528 /nfs/dbraw/zinc/37/65/28/655376528.db2.gz MABFYLAEQQJWHN-UWVGGRQHSA-N 1 0 386.417 1.528 20 0 GDADRO CC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC[NH2+]CC1 ZINC000818583700 655376648 /nfs/dbraw/zinc/37/66/48/655376648.db2.gz NRVIGVLANSJTCO-UHFFFAOYSA-N 1 0 385.917 1.996 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818589803 655376745 /nfs/dbraw/zinc/37/67/45/655376745.db2.gz GTXOFKYVFVXOSH-GPCCPHFNSA-N 1 0 389.315 1.969 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH3+])c1 ZINC000842787855 655376995 /nfs/dbraw/zinc/37/69/95/655376995.db2.gz UIGCWWRDCMRVIV-NSHDSACASA-N 1 0 397.950 1.244 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1Cl ZINC000842792620 655377428 /nfs/dbraw/zinc/37/74/28/655377428.db2.gz NEFAPYIRSCQOEA-VHRBIJSZSA-N 1 0 392.930 1.491 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OC)oc2Br)CC[C@@H]1[NH3+] ZINC000842798588 655377843 /nfs/dbraw/zinc/37/78/43/655377843.db2.gz SBCLGXFDRNNDPD-BDAKNGLRSA-N 1 0 395.275 1.577 20 0 GDADRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000842802959 655378266 /nfs/dbraw/zinc/37/82/66/655378266.db2.gz FLNZZKHVFZFARQ-XHDPSFHLSA-N 1 0 394.946 1.929 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[NH2+]1 ZINC000842814561 655378895 /nfs/dbraw/zinc/37/88/95/655378895.db2.gz IZJUKAKJFLUGBQ-ZJUUUORDSA-N 1 0 386.417 1.399 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000842834298 655380270 /nfs/dbraw/zinc/38/02/70/655380270.db2.gz QUZYFAJKPGKWHR-GZMMTYOYSA-N 1 0 381.267 1.873 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)ccc1Cl ZINC000842838793 655380733 /nfs/dbraw/zinc/38/07/33/655380733.db2.gz URYBHQAPDMCDRS-LLVKDONJSA-N 1 0 380.919 1.493 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)c(F)cc1C ZINC000842851722 655380946 /nfs/dbraw/zinc/38/09/46/655380946.db2.gz CHOPSNJEULVECB-RYUDHWBXSA-N 1 0 376.425 1.631 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)ccc1Br ZINC000842869480 655381676 /nfs/dbraw/zinc/38/16/76/655381676.db2.gz LEOXIKBATLGZFG-ZDUSSCGKSA-N 1 0 391.287 1.594 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1)C(F)(F)F ZINC000842871135 655381816 /nfs/dbraw/zinc/38/18/16/655381816.db2.gz MKPDGDWQFOXMQW-MFKMUULPSA-N 1 0 377.388 1.560 20 0 GDADRO O=c1n(CCC[NH2+]C[C@H](O)c2ccc(Br)cc2)nc2n1CCCC2 ZINC000818964272 655382394 /nfs/dbraw/zinc/38/23/94/655382394.db2.gz PQWJITKVHJWUHU-HNNXBMFYSA-N 1 0 395.301 1.857 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)NC[C@H]([NH3+])CC)c1 ZINC000842887538 655382816 /nfs/dbraw/zinc/38/28/16/655382816.db2.gz LFLNTUGFQBUJRH-LLVKDONJSA-N 1 0 393.303 1.950 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000818998813 655382845 /nfs/dbraw/zinc/38/28/45/655382845.db2.gz VLODWVIDUKUXDI-CQSZACIVSA-N 1 0 395.294 1.637 20 0 GDADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc21 ZINC000842897184 655383479 /nfs/dbraw/zinc/38/34/79/655383479.db2.gz ZJIWTDVXJUETGR-BMIGLBTASA-N 1 0 384.299 1.923 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CC[S@@](=O)Cc2ccccc2)cc1 ZINC000819041891 655383739 /nfs/dbraw/zinc/38/37/39/655383739.db2.gz IGLUSTXDNWHGBN-MHECFPHRSA-N 1 0 381.519 1.662 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000819076478 655384683 /nfs/dbraw/zinc/38/46/83/655384683.db2.gz CWEPDTPDFVXECJ-QZTJIDSGSA-N 1 0 398.345 1.479 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)c1ccc[nH]1 ZINC000819193227 655388068 /nfs/dbraw/zinc/38/80/68/655388068.db2.gz FIRAIESGMNFADU-CYBMUJFWSA-N 1 0 385.511 1.390 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000819190276 655388070 /nfs/dbraw/zinc/38/80/70/655388070.db2.gz NTSWCBVLBKZYHO-ZIAGYGMSSA-N 1 0 377.304 1.496 20 0 GDADRO CCS(=O)(=O)CC[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000819232817 655388310 /nfs/dbraw/zinc/38/83/10/655388310.db2.gz PUJPITSOBKAOLC-CYBMUJFWSA-N 1 0 378.416 1.831 20 0 GDADRO CON(C)C(=O)CC[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000843116251 655388814 /nfs/dbraw/zinc/38/88/14/655388814.db2.gz KDTZCFVDVYQSGL-GFCCVEGCSA-N 1 0 377.254 1.739 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000819284993 655389316 /nfs/dbraw/zinc/38/93/16/655389316.db2.gz RZHPDTPJSXUPLY-MRXNPFEDSA-N 1 0 381.523 1.839 20 0 GDADRO COC(=O)c1cn(CC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)nn1 ZINC000819297995 655389434 /nfs/dbraw/zinc/38/94/34/655389434.db2.gz ZNZOWUBYNCANOP-ZDUSSCGKSA-N 1 0 387.209 1.290 20 0 GDADRO Ic1cc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)cs1 ZINC000843213039 655389882 /nfs/dbraw/zinc/38/98/82/655389882.db2.gz PBHCOYXKXSRHGH-MRVPVSSYSA-N 1 0 377.207 1.934 20 0 GDADRO [NH3+]CCCCCCNC(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000843260588 655390202 /nfs/dbraw/zinc/39/02/02/655390202.db2.gz FYWYQVBOLHVOTM-UHFFFAOYSA-N 1 0 388.281 1.882 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843334344 655392809 /nfs/dbraw/zinc/39/28/09/655392809.db2.gz LUXLXWUENNVHKO-LBPRGKRZSA-N 1 0 376.910 1.296 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843351401 655393403 /nfs/dbraw/zinc/39/34/03/655393403.db2.gz QVFLAMLMXRFPGW-LLVKDONJSA-N 1 0 376.910 1.426 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843354400 655393488 /nfs/dbraw/zinc/39/34/88/655393488.db2.gz DSOMNCXLRKWFPT-LBPRGKRZSA-N 1 0 380.495 1.122 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000843354405 655393536 /nfs/dbraw/zinc/39/35/36/655393536.db2.gz FOZKHYGEGFVMKL-AWEZNQCLSA-N 1 0 377.457 1.927 20 0 GDADRO O=C(CCN1CCO[C@H](c2ccccc2Br)C1)N1CC[NH2+]CC1 ZINC000843358583 655393754 /nfs/dbraw/zinc/39/37/54/655393754.db2.gz GZCAQLRVGCTOBJ-INIZCTEOSA-N 1 0 382.302 1.644 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000843379419 655394057 /nfs/dbraw/zinc/39/40/57/655394057.db2.gz FSWANNSTFZDYKK-QWRGUYRKSA-N 1 0 379.404 1.253 20 0 GDADRO C[C@H]1C[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843399615 655394333 /nfs/dbraw/zinc/39/43/33/655394333.db2.gz IUICDFPMFQAGSH-KBPBESRZSA-N 1 0 376.519 1.161 20 0 GDADRO COc1cc(Br)c(CNC(=O)CO[C@H]2CCC[NH2+]C2)cc1OC ZINC000843424746 655394766 /nfs/dbraw/zinc/39/47/66/655394766.db2.gz HROXAXDDFGEPQG-LBPRGKRZSA-N 1 0 387.274 1.851 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccccc1I ZINC000843429462 655394779 /nfs/dbraw/zinc/39/47/79/655394779.db2.gz WJMKWWFKEJFXLK-LBPRGKRZSA-N 1 0 387.265 1.843 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC[C@H]1c1ccc(F)cc1 ZINC000843501315 655397019 /nfs/dbraw/zinc/39/70/19/655397019.db2.gz IGAZADHSLWQXKR-HRCADAONSA-N 1 0 386.514 1.389 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000843502778 655397134 /nfs/dbraw/zinc/39/71/34/655397134.db2.gz FWZUOUFJUPZMHI-UWVGGRQHSA-N 1 0 392.319 1.555 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)ncc1Cl ZINC000844033176 655405615 /nfs/dbraw/zinc/40/56/15/655405615.db2.gz FFCVIOTVOMGDDL-VIFPVBQESA-N 1 0 389.681 1.690 20 0 GDADRO C[NH+](C)CCN1CCN(C(=S)Nc2cccc(Br)c2)CC1=O ZINC000844570202 655411363 /nfs/dbraw/zinc/41/13/63/655411363.db2.gz TXNSJTJRTYGMNV-UHFFFAOYSA-N 1 0 385.331 1.852 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844605770 655411723 /nfs/dbraw/zinc/41/17/23/655411723.db2.gz NHQHPCDCIDUTIQ-UHFFFAOYSA-N 1 0 384.278 1.390 20 0 GDADRO CC(C)[C@H](CNS(=O)(=O)c1cccc2scnc21)N1CC[NH+](C)CC1 ZINC000820793452 655416889 /nfs/dbraw/zinc/41/68/89/655416889.db2.gz YMQWDKOUONAUDF-AWEZNQCLSA-N 1 0 382.555 1.847 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccccc1[S@](=O)C(F)(F)F ZINC000820990285 655420366 /nfs/dbraw/zinc/42/03/66/655420366.db2.gz MQDOYBFMDLTGMG-VDBVYFBLSA-N 1 0 378.416 1.891 20 0 GDADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000844991550 655421974 /nfs/dbraw/zinc/42/19/74/655421974.db2.gz PHSCLZIMNUEFMC-HUUCEWRRSA-N 1 0 393.359 1.666 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(N)nc(Br)c1 ZINC000821144068 655423400 /nfs/dbraw/zinc/42/34/00/655423400.db2.gz QNNDWFMTBYFGJA-FRRDWIJNSA-N 1 0 383.290 1.750 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(N)nc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000821436187 655430100 /nfs/dbraw/zinc/43/01/00/655430100.db2.gz KXFZEQWAUYNGBN-JSGCOSHPSA-N 1 0 396.333 1.524 20 0 GDADRO C[C@@H](CNC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000821520175 655431238 /nfs/dbraw/zinc/43/12/38/655431238.db2.gz JLIDERURHRBYEX-CANCMXDXSA-N 1 0 375.535 1.201 20 0 GDADRO C[C@@H]1[C@H](COC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC[N@@H+]1C ZINC000845814329 655436112 /nfs/dbraw/zinc/43/61/12/655436112.db2.gz MVCHXKSGLKSJGO-OLZOCXBDSA-N 1 0 388.511 1.266 20 0 GDADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC000846229101 655450199 /nfs/dbraw/zinc/45/01/99/655450199.db2.gz HRHFXYJSSAMVLI-UHFFFAOYSA-N 1 0 390.889 1.516 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846229522 655450211 /nfs/dbraw/zinc/45/02/11/655450211.db2.gz CSSGTQCGAUABOB-YNEHKIRRSA-N 1 0 376.910 1.289 20 0 GDADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1ccccc1S(=O)(=O)C(F)F ZINC000846234601 655450457 /nfs/dbraw/zinc/45/04/57/655450457.db2.gz IJOLITIAWYQBIQ-UHFFFAOYSA-N 1 0 382.454 1.351 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000846250493 655450904 /nfs/dbraw/zinc/45/09/04/655450904.db2.gz MHJNEKSWCBYSGC-JQFCIGGWSA-N 1 0 377.888 1.377 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000846250494 655450906 /nfs/dbraw/zinc/45/09/06/655450906.db2.gz MHJNEKSWCBYSGC-RRQGHBQHSA-N 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GDADRO CNS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850462608 655555841 /nfs/dbraw/zinc/55/58/41/655555841.db2.gz FBVXAYUAJFMQIN-CYBMUJFWSA-N 1 0 379.404 1.161 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850515965 655557134 /nfs/dbraw/zinc/55/71/34/655557134.db2.gz JCRUTETVYOCJSM-OLZOCXBDSA-N 1 0 390.527 1.224 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000850520595 655557222 /nfs/dbraw/zinc/55/72/22/655557222.db2.gz WHENIDAFAVZNON-SNVBAGLBSA-N 1 0 388.433 1.686 20 0 GDADRO COc1cc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cnc1Cl ZINC000850589979 655559366 /nfs/dbraw/zinc/55/93/66/655559366.db2.gz ZXQWDCRPJSAGLX-GXTWGEPZSA-N 1 0 385.848 1.998 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)nc2OC)C1 ZINC000850681432 655564404 /nfs/dbraw/zinc/56/44/04/655564404.db2.gz AAWKPXWUZAUSNX-JTQLQIEISA-N 1 0 385.262 1.392 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@@H]1[NH3+] 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KEFQDXAOHHEHES-LBPRGKRZSA-N 1 0 376.910 1.337 20 0 GDADRO Cn1cnc(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1Cl ZINC000851880763 655601986 /nfs/dbraw/zinc/60/19/86/655601986.db2.gz UXNXTBBDMCOEOQ-LBPRGKRZSA-N 1 0 376.910 1.337 20 0 GDADRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC[NH2+]1 ZINC000851896782 655603389 /nfs/dbraw/zinc/60/33/89/655603389.db2.gz KPYMKDQCSPAXOW-ZDUSSCGKSA-N 1 0 379.404 1.806 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000851993062 655605372 /nfs/dbraw/zinc/60/53/72/655605372.db2.gz KUCVAJNCSNKFCH-LSDHHAIUSA-N 1 0 377.422 1.649 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000852037982 655606286 /nfs/dbraw/zinc/60/62/86/655606286.db2.gz FJNXXJSKMFGMPK-UONOGXRCSA-N 1 0 386.451 1.174 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(CO)([NH2+]CC2(CS(C)(=O)=O)CC2)CC1 ZINC000852174445 655609495 /nfs/dbraw/zinc/60/94/95/655609495.db2.gz DNLHLECGJMHPFC-UHFFFAOYSA-N 1 0 376.519 1.163 20 0 GDADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000852186721 655609635 /nfs/dbraw/zinc/60/96/35/655609635.db2.gz IJXKRUKVMKFSEK-FRRDWIJNSA-N 1 0 387.468 1.629 20 0 GDADRO O[C@@H]1CCCC[C@H]1[NH+]1CCC(n2nncc2I)CC1 ZINC000852532208 655617138 /nfs/dbraw/zinc/61/71/38/655617138.db2.gz DYHPSZIVRUYHNH-VXGBXAGGSA-N 1 0 376.242 1.823 20 0 GDADRO Ic1cnnn1C1CC[NH+](CCCn2ccnc2)CC1 ZINC000852532129 655617176 /nfs/dbraw/zinc/61/71/76/655617176.db2.gz DFGIXAUCQYTIAB-UHFFFAOYSA-N 1 0 386.241 1.806 20 0 GDADRO CC(C)(C)[C@H](O)C[NH+]1CCC(n2nncc2I)CC1 ZINC000852533384 655617876 /nfs/dbraw/zinc/61/78/76/655617876.db2.gz YDDFGLDZUQFGRE-LLVKDONJSA-N 1 0 378.258 1.927 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2[NH2+]CC23CCCC3)s1 ZINC000852779054 655622439 /nfs/dbraw/zinc/62/24/39/655622439.db2.gz AMRNFELXQFFRLI-OAHLLOKOSA-N 1 0 385.555 1.927 20 0 GDADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000852793828 655622736 /nfs/dbraw/zinc/62/27/36/655622736.db2.gz GYGYJZSSGJEALL-SNVBAGLBSA-N 1 0 380.297 1.836 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NC2(c3cccc(Br)c3)CCOCC2)=NO1 ZINC000852821247 655623537 /nfs/dbraw/zinc/62/35/37/655623537.db2.gz JDFNAJRHQWHSFQ-ZDUSSCGKSA-N 1 0 382.258 1.675 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1I ZINC000852881949 655625255 /nfs/dbraw/zinc/62/52/55/655625255.db2.gz UENKMZJMWQHSLC-UWVGGRQHSA-N 1 0 384.221 1.942 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cnn(-c2ccccc2)c1I ZINC000852881785 655625275 /nfs/dbraw/zinc/62/52/75/655625275.db2.gz PTKYJUFFBXVLNJ-PJXYFTJBSA-N 1 0 394.216 1.425 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000852891018 655625349 /nfs/dbraw/zinc/62/53/49/655625349.db2.gz OMTGVXUDFCRWJS-JSGCOSHPSA-N 1 0 385.306 1.850 20 0 GDADRO O=C(C=C1CC[NH2+]CC1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000852890298 655625393 /nfs/dbraw/zinc/62/53/93/655625393.db2.gz TZPDGGIPBCWIFI-MRXNPFEDSA-N 1 0 378.270 1.758 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000852891017 655625417 /nfs/dbraw/zinc/62/54/17/655625417.db2.gz OMTGVXUDFCRWJS-GXTWGEPZSA-N 1 0 385.306 1.850 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)=NO1 ZINC000852893494 655625536 /nfs/dbraw/zinc/62/55/36/655625536.db2.gz HLGDLYJYPWOCOG-CQSZACIVSA-N 1 0 381.274 1.197 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000852916880 655628272 /nfs/dbraw/zinc/62/82/72/655628272.db2.gz SGQBJYCSHBFHBP-AWEZNQCLSA-N 1 0 398.301 1.545 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(Cn2nc(N3CCOCC3)sc2=S)CCO1 ZINC000853625820 655645870 /nfs/dbraw/zinc/64/58/70/655645870.db2.gz ZBULWKDKCUSDHT-CQSZACIVSA-N 1 0 387.575 1.511 20 0 GDADRO CC(C)C[NH2+]C1(CO)CCN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)CC1 ZINC000853661027 655646725 /nfs/dbraw/zinc/64/67/25/655646725.db2.gz NQOYTZOOAZOBCS-UHFFFAOYSA-N 1 0 385.917 1.951 20 0 GDADRO CCN(C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000853847023 655651880 /nfs/dbraw/zinc/65/18/80/655651880.db2.gz VMQXFAVVPIJVAJ-GFCCVEGCSA-N 1 0 386.440 1.036 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCn1cc(Br)cn1 ZINC000854059026 655656648 /nfs/dbraw/zinc/65/66/48/655656648.db2.gz FIHKIOXUTGHXKE-ZDUSSCGKSA-N 1 0 389.342 1.217 20 0 GDADRO CN(C)c1ccc(-c2noc(-c3cn(CC[NH3+])nn3)n2)cc1Br ZINC000854159857 655657618 /nfs/dbraw/zinc/65/76/18/655657618.db2.gz BNZBFQPTIKFDEG-UHFFFAOYSA-N 1 0 378.234 1.782 20 0 GDADRO CC(C)(C)n1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(Br)n1 ZINC000854352399 655663536 /nfs/dbraw/zinc/66/35/36/655663536.db2.gz BTDCSJLNXCWJCD-LBPRGKRZSA-N 1 0 384.322 1.520 20 0 GDADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000854568676 655669898 /nfs/dbraw/zinc/66/98/98/655669898.db2.gz CUTBBZIOUVRTFH-GFCCVEGCSA-N 1 0 397.317 1.917 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000855048556 655684741 /nfs/dbraw/zinc/68/47/41/655684741.db2.gz ALXQVOMCIWOHTL-JGZJWPJOSA-N 1 0 390.303 1.167 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000855695128 655699568 /nfs/dbraw/zinc/69/95/68/655699568.db2.gz IAKQBPRQXRQLNF-UHFFFAOYSA-N 1 0 380.798 1.846 20 0 GDADRO O=C(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)s1 ZINC000856257711 655711006 /nfs/dbraw/zinc/71/10/06/655711006.db2.gz XVZMMUAOEUXSRR-NSHDSACASA-N 1 0 387.299 1.751 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C[C@H](C)[NH2+]1 ZINC000856409599 655712881 /nfs/dbraw/zinc/71/28/81/655712881.db2.gz VWIKVGFYXLMBNZ-VHSXEESVSA-N 1 0 390.303 1.309 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC[NH2+]1 ZINC000856484826 655714055 /nfs/dbraw/zinc/71/40/55/655714055.db2.gz HUHDVYGXFSDIGO-QMMMGPOBSA-N 1 0 396.332 1.228 20 0 GDADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1c(Br)nc2n1CCOC2 ZINC000857193482 655730327 /nfs/dbraw/zinc/73/03/27/655730327.db2.gz SVMPLHRPKQGTDH-UHFFFAOYSA-N 1 0 383.290 1.780 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C2 ZINC000857237904 655731807 /nfs/dbraw/zinc/73/18/07/655731807.db2.gz XDZSSOYGENFCAS-GXFFZTMASA-N 1 0 398.428 1.482 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000857257878 655732512 /nfs/dbraw/zinc/73/25/12/655732512.db2.gz FENWICIWTXBNBI-NEPJUHHUSA-N 1 0 383.290 1.875 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1)C(F)(F)F ZINC000858607661 655749952 /nfs/dbraw/zinc/74/99/52/655749952.db2.gz GYEANGPFNSQSKP-LBPRGKRZSA-N 1 0 377.388 1.702 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c1)C(F)(F)F ZINC000858612736 655750309 /nfs/dbraw/zinc/75/03/09/655750309.db2.gz DNDGZPYLHBMJRA-LBPRGKRZSA-N 1 0 377.388 1.608 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)s1 ZINC000858616551 655750636 /nfs/dbraw/zinc/75/06/36/655750636.db2.gz SQMWNXFINPMFEI-CYBMUJFWSA-N 1 0 375.516 1.265 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)NCCC2CC[NH2+]CC2)c1)C(F)(F)F ZINC000858616268 655750638 /nfs/dbraw/zinc/75/06/38/655750638.db2.gz QMNKYQIHYWVQKE-UHFFFAOYSA-N 1 0 379.404 1.855 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(Cl)c2nonc21 ZINC000858620952 655750814 /nfs/dbraw/zinc/75/08/14/655750814.db2.gz PYTCAQFRQOAGMF-WCQYABFASA-N 1 0 378.841 1.910 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000858627003 655751138 /nfs/dbraw/zinc/75/11/38/655751138.db2.gz OOLNDCFQTZZYMH-UHFFFAOYSA-N 1 0 399.296 1.637 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000858626614 655751160 /nfs/dbraw/zinc/75/11/60/655751160.db2.gz JABKSPQTMYXFBI-GHXNOFRVSA-N 1 0 377.304 1.917 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC[N@@H+]1C ZINC000859019446 655759601 /nfs/dbraw/zinc/75/96/01/655759601.db2.gz QMLRRKBGIMDQQH-PWSUYJOCSA-N 1 0 379.404 1.948 20 0 GDADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000859067047 655761463 /nfs/dbraw/zinc/76/14/63/655761463.db2.gz YLXJPBKZDWAGAW-GFCCVEGCSA-N 1 0 379.404 1.902 20 0 GDADRO Nc1cccc(Br)c1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000860429187 655800507 /nfs/dbraw/zinc/80/05/07/655800507.db2.gz KOXGNMXMXSIMKR-UHFFFAOYSA-N 1 0 396.285 1.931 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C[NH2+]1 ZINC000861524150 655824537 /nfs/dbraw/zinc/82/45/37/655824537.db2.gz SPXMQSIYLHUJDU-UWVGGRQHSA-N 1 0 398.257 1.416 20 0 GDADRO O=C(Nc1cc(C(F)(F)F)cc(Br)n1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861545789 655825779 /nfs/dbraw/zinc/82/57/79/655825779.db2.gz BIQQVAGTVFETDH-SSDOTTSWSA-N 1 0 381.152 1.280 20 0 GDADRO C[C@]1(CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1(Cl)Cl ZINC000861635308 655827292 /nfs/dbraw/zinc/82/72/92/655827292.db2.gz ITAQDQUFQNJIJJ-TYNCELHUSA-N 1 0 391.299 1.537 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)c4ncc(C=O)n4c3)[C@H]2C1 ZINC000861807127 655831215 /nfs/dbraw/zinc/83/12/15/655831215.db2.gz AHUYHWXSZTXMBI-YGRLFVJLSA-N 1 0 377.242 1.685 20 0 GDADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]CCS(=O)(=O)CC2CC2)COC1(C)C ZINC000862290284 655843922 /nfs/dbraw/zinc/84/39/22/655843922.db2.gz SSMPHVFFKDGGTG-CQSZACIVSA-N 1 0 376.519 1.773 20 0 GDADRO Cc1nc(Br)sc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000862648738 655850832 /nfs/dbraw/zinc/85/08/32/655850832.db2.gz FJPIGJYTPIUEJG-VIFPVBQESA-N 1 0 375.292 1.284 20 0 GDADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000862958891 655858919 /nfs/dbraw/zinc/85/89/19/655858919.db2.gz MSZFQSSNKYXWMZ-UHFFFAOYSA-N 1 0 397.317 1.919 20 0 GDADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000863443755 655873273 /nfs/dbraw/zinc/87/32/73/655873273.db2.gz VMEQZBXWCHOOMV-UHFFFAOYSA-N 1 0 379.404 1.902 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000863752049 655879701 /nfs/dbraw/zinc/87/97/01/655879701.db2.gz ADWLUPILWJAJRO-AWEZNQCLSA-N 1 0 384.274 1.156 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000864058737 655888204 /nfs/dbraw/zinc/88/82/04/655888204.db2.gz XDMNSCQVSVEPRO-BDAKNGLRSA-N 1 0 398.227 1.851 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000864078359 655889625 /nfs/dbraw/zinc/88/96/25/655889625.db2.gz WHSDHZWGRADTLX-KBPBESRZSA-N 1 0 388.253 1.737 20 0 GDADRO C[C@@H]1[C@H](C)N(C(=O)c2cc(I)nn2C)[C@@H](C)C[N@@H+]1C ZINC000864081916 655889798 /nfs/dbraw/zinc/88/97/98/655889798.db2.gz MXLFZYPSOVPTMH-AEJSXWLSSA-N 1 0 376.242 1.578 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2cnn(C(C)C)c2Br)CC1 ZINC000864866411 655907395 /nfs/dbraw/zinc/90/73/95/655907395.db2.gz UGHUBIVAFQNMRU-UHFFFAOYSA-N 1 0 386.338 1.984 20 0 GDADRO C[C@@H](CNC(=O)c1cc(I)nn1C)C[NH+]1CCCC1 ZINC000864932109 655908491 /nfs/dbraw/zinc/90/84/91/655908491.db2.gz SLTCEDWCOSBJFZ-JTQLQIEISA-N 1 0 376.242 1.486 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(I)nn2C)C1 ZINC000865033218 655910491 /nfs/dbraw/zinc/91/04/91/655910491.db2.gz JMLCNCRFZVHWLH-JTQLQIEISA-N 1 0 376.242 1.485 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000865570365 655922183 /nfs/dbraw/zinc/92/21/83/655922183.db2.gz DTBGDMKLKCSFDH-GFCCVEGCSA-N 1 0 381.420 1.788 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+]C[C@]34COC(=O)N3CCOC4)cnc12 ZINC000865770583 655926226 /nfs/dbraw/zinc/92/62/26/655926226.db2.gz SKFSGGXEMIBMMW-INIZCTEOSA-N 1 0 395.257 1.716 20 0 GDADRO O=C1OC[C@]2(C[NH2+]Cc3cn4ccc(Br)cc4n3)COCCN12 ZINC000865770530 655926266 /nfs/dbraw/zinc/92/62/66/655926266.db2.gz NBKODBPRFLTGCD-HNNXBMFYSA-N 1 0 381.230 1.408 20 0 GDADRO COc1cc(Br)c(C[NH2+]CC(C)(C)CS(N)(=O)=O)cc1OC ZINC000865814985 655927724 /nfs/dbraw/zinc/92/77/24/655927724.db2.gz ONMWAEGIVLQJRH-UHFFFAOYSA-N 1 0 395.319 1.871 20 0 GDADRO CSc1nc2ncnc(NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)c2s1 ZINC000865887470 655929235 /nfs/dbraw/zinc/92/92/35/655929235.db2.gz WRIQZEYFEHADGB-LLVKDONJSA-N 1 0 378.527 1.915 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)c3cc(Br)no3)ccn2)CC1 ZINC000865905785 655929667 /nfs/dbraw/zinc/92/96/67/655929667.db2.gz WFLNGBPKMDQIKW-UHFFFAOYSA-N 1 0 380.246 1.514 20 0 GDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866260342 655936652 /nfs/dbraw/zinc/93/66/52/655936652.db2.gz ULEBLCODYSLVFI-LBPRGKRZSA-N 1 0 386.905 1.709 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2ccc(Br)cc2=O)C1 ZINC000866280411 655936806 /nfs/dbraw/zinc/93/68/06/655936806.db2.gz VOZHAFLLCHEQBB-CQSZACIVSA-N 1 0 382.302 1.801 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CCCN2CCCS2(=O)=O)C1 ZINC000866406229 655940746 /nfs/dbraw/zinc/94/07/46/655940746.db2.gz VYKYFHWPCFRRKZ-KGLIPLIRSA-N 1 0 382.473 1.759 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cn(C)nc1Br ZINC000866421991 655941840 /nfs/dbraw/zinc/94/18/40/655941840.db2.gz GQQILTXEBHGPCR-LLVKDONJSA-N 1 0 379.324 1.725 20 0 GDADRO Cn1ncc(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)c1C(F)(F)F ZINC000866476713 655945800 /nfs/dbraw/zinc/94/58/00/655945800.db2.gz YTMVIDVJTKLXLW-UHFFFAOYSA-N 1 0 376.404 1.979 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)[NH+]1CCCC1 ZINC000866490049 655946624 /nfs/dbraw/zinc/94/66/24/655946624.db2.gz FORRMYYMXYVAQF-NSHDSACASA-N 1 0 379.404 1.950 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cnn(C)c1Br)[N@@H+]1CCCC[C@H]1C ZINC000866492590 655947069 /nfs/dbraw/zinc/94/70/69/655947069.db2.gz QJVBFKGJLCGDMI-MNOVXSKESA-N 1 0 379.324 1.724 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cn(C)nc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000866498566 655947453 /nfs/dbraw/zinc/94/74/53/655947453.db2.gz ZSLQEZTYROTQRF-QWRGUYRKSA-N 1 0 379.324 1.581 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1Br ZINC000866617072 655951776 /nfs/dbraw/zinc/95/17/76/655951776.db2.gz YMYPFMFFODVGCT-NSHDSACASA-N 1 0 377.308 1.432 20 0 GDADRO O=C1N[C@H]2CN(Cc3ncccc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000866665566 655952870 /nfs/dbraw/zinc/95/28/70/655952870.db2.gz FIHSVFKPIVCNCN-JKSUJKDBSA-N 1 0 394.317 1.564 20 0 GDADRO C[C@@]1(CS(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000866731812 655957204 /nfs/dbraw/zinc/95/72/04/655957204.db2.gz DUPSVVDLDNVTQJ-AWEZNQCLSA-N 1 0 398.356 1.140 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000866740285 655957811 /nfs/dbraw/zinc/95/78/11/655957811.db2.gz PRIICHZXPXPKEI-GHMZBOCLSA-N 1 0 379.404 1.935 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(Br)n1 ZINC000866751444 655958936 /nfs/dbraw/zinc/95/89/36/655958936.db2.gz YFIWDJDQDGWLIN-LBPRGKRZSA-N 1 0 391.335 1.822 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1Br ZINC000866760351 655959757 /nfs/dbraw/zinc/95/97/57/655959757.db2.gz BTGPGHNRRPGWFE-LLVKDONJSA-N 1 0 377.308 1.335 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866769958 655961074 /nfs/dbraw/zinc/96/10/74/655961074.db2.gz RINCZXKVKDOYOE-GFCCVEGCSA-N 1 0 379.404 1.854 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000866771879 655961609 /nfs/dbraw/zinc/96/16/09/655961609.db2.gz KQPLGLRJIJREFG-NSHDSACASA-N 1 0 393.303 1.337 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000866776818 655962174 /nfs/dbraw/zinc/96/21/74/655962174.db2.gz LQMQPOLWJMBCGJ-GHMZBOCLSA-N 1 0 388.253 1.581 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)N=S2(=O)CCCC2)CC[C@H]1c1ccc(F)cc1 ZINC000866777371 655962282 /nfs/dbraw/zinc/96/22/82/655962282.db2.gz IWYAHBVCDLVLMQ-LSDHHAIUSA-N 1 0 375.491 1.449 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C(F)(F)F ZINC000866778643 655962546 /nfs/dbraw/zinc/96/25/46/655962546.db2.gz BCASIKRNRWTDAL-YUMQZZPRSA-N 1 0 394.341 1.587 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)s1 ZINC000866785592 655963376 /nfs/dbraw/zinc/96/33/76/655963376.db2.gz YGKLDEZSWFVROJ-LBPRGKRZSA-N 1 0 389.543 1.703 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000866792594 655964216 /nfs/dbraw/zinc/96/42/16/655964216.db2.gz GRFVNYZFMPIPBZ-GXSJLCMTSA-N 1 0 391.287 1.736 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1Br ZINC000866813882 655966430 /nfs/dbraw/zinc/96/64/30/655966430.db2.gz FTHJIRWQVVJOPS-ZDUSSCGKSA-N 1 0 379.324 1.568 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000866816287 655966630 /nfs/dbraw/zinc/96/66/30/655966630.db2.gz DMHRNJQFOOIANJ-JLLWLGSASA-N 1 0 389.836 1.035 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000866819133 655966815 /nfs/dbraw/zinc/96/68/15/655966815.db2.gz CGHWMZLUUTXATQ-UKRRQHHQSA-N 1 0 385.917 1.804 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866825842 655967478 /nfs/dbraw/zinc/96/74/78/655967478.db2.gz SMYJGKUHDUQVSF-STQMWFEESA-N 1 0 388.287 1.063 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866828301 655967751 /nfs/dbraw/zinc/96/77/51/655967751.db2.gz VRCROXDQJVOYTD-STQMWFEESA-N 1 0 392.262 1.806 20 0 GDADRO CC(C)[NH+](CCCNS(=O)(=O)c1cn(C)nc1Br)C(C)C ZINC000866903064 655975475 /nfs/dbraw/zinc/97/54/75/655975475.db2.gz IILRQHGLWLHYGK-UHFFFAOYSA-N 1 0 381.340 1.970 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000866944247 655980228 /nfs/dbraw/zinc/98/02/28/655980228.db2.gz RHLRMZYSKFYTOZ-CVEARBPZSA-N 1 0 388.555 1.688 20 0 GDADRO Cn1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccco2)c1Br ZINC000866948770 655980748 /nfs/dbraw/zinc/98/07/48/655980748.db2.gz ZYXHUQUZHJTNEN-UHFFFAOYSA-N 1 0 391.291 1.528 20 0 GDADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)nc1F ZINC000866982891 655983915 /nfs/dbraw/zinc/98/39/15/655983915.db2.gz YWPZPOGSUBTFBI-QWHCGFSZSA-N 1 0 375.441 1.406 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cncc(Br)c2)CC1 ZINC000867078711 655993867 /nfs/dbraw/zinc/99/38/67/655993867.db2.gz OIYCWGMKYXPGSA-UHFFFAOYSA-N 1 0 378.292 1.190 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@](C)(O)c2cccc(Cl)c2)CC1 ZINC000867111988 655996726 /nfs/dbraw/zinc/99/67/26/655996726.db2.gz IWRZZBMKAFUUBV-KRWDZBQOSA-N 1 0 389.949 1.104 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2nc[nH]c2Br)C[C@H]1[NH+]1CCCC1 ZINC000867125387 655999174 /nfs/dbraw/zinc/99/91/74/655999174.db2.gz VEKSLXSFLAJLQV-NXEZZACHSA-N 1 0 395.348 1.373 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc3ccnc(Cl)c3c2)CC1 ZINC000867147376 656002516 /nfs/dbraw/zinc/00/25/16/656002516.db2.gz JDWGDGBPTJXEDG-UHFFFAOYSA-N 1 0 382.917 1.804 20 0 GDADRO CC(C)CN1CCN(C(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000867295462 656032616 /nfs/dbraw/zinc/03/26/16/656032616.db2.gz UIHXSTKMTXKCRF-UHFFFAOYSA-N 1 0 383.290 1.261 20 0 GDADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000867350080 656042944 /nfs/dbraw/zinc/04/29/44/656042944.db2.gz UWRAGDKCNALGSG-UHFFFAOYSA-N 1 0 376.425 1.856 20 0 GDADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1 ZINC000867350079 656042962 /nfs/dbraw/zinc/04/29/62/656042962.db2.gz UTQINMGBTNJCQX-UHFFFAOYSA-N 1 0 376.425 1.856 20 0 GDADRO COC(=O)c1nc(CNS(=O)(=O)CCC[NH+]2CCCC2)ccc1Cl ZINC000867507360 656072756 /nfs/dbraw/zinc/07/27/56/656072756.db2.gz MMESJHDUHGJUMR-UHFFFAOYSA-N 1 0 375.878 1.427 20 0 GDADRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cnn(C)c1Br ZINC000867521624 656075763 /nfs/dbraw/zinc/07/57/63/656075763.db2.gz ZPWGSGKYUSHNEK-NSHDSACASA-N 1 0 379.324 1.581 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)CCCC1CCOCC1 ZINC000867582311 656088044 /nfs/dbraw/zinc/08/80/44/656088044.db2.gz TXECLHDYWXKFSI-UHFFFAOYSA-N 1 0 376.563 1.813 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NN1Cc2ccc(Br)cc2C1=O ZINC000867597032 656090914 /nfs/dbraw/zinc/09/09/14/656090914.db2.gz AWDLEEJYXCSFFJ-UHFFFAOYSA-N 1 0 390.303 1.581 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Br)cn2)C1 ZINC000867600937 656091795 /nfs/dbraw/zinc/09/17/95/656091795.db2.gz RNLTUMMMSHRITC-AWEZNQCLSA-N 1 0 383.290 1.401 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1Br ZINC000867600868 656091816 /nfs/dbraw/zinc/09/18/16/656091816.db2.gz PUKURVFMBWPMKR-UHFFFAOYSA-N 1 0 391.335 1.822 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000867601025 656091867 /nfs/dbraw/zinc/09/18/67/656091867.db2.gz GXDQENWYQQVPTJ-HOTGVXAUSA-N 1 0 381.567 1.850 20 0 GDADRO C[NH+]1CCC(CNS(=O)(=O)N=S2(=O)CCCC2)(c2ccccc2)CC1 ZINC000867706209 656104446 /nfs/dbraw/zinc/10/44/46/656104446.db2.gz SDVLYJAMIROYNX-UHFFFAOYSA-N 1 0 385.555 1.746 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000867705386 656104515 /nfs/dbraw/zinc/10/45/15/656104515.db2.gz DWNRKCFYLVCYSV-UHFFFAOYSA-N 1 0 387.571 1.992 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1F ZINC000867808902 656119731 /nfs/dbraw/zinc/11/97/31/656119731.db2.gz JNXIBIOWJBJJDK-ZWNOBZJWSA-N 1 0 390.864 1.980 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)cc2C1 ZINC000867812151 656120202 /nfs/dbraw/zinc/12/02/02/656120202.db2.gz UTIJPGAEPUYWPW-UKRRQHHQSA-N 1 0 383.539 1.367 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)nc3F)CC[C@@H]21 ZINC000867812697 656120362 /nfs/dbraw/zinc/12/03/62/656120362.db2.gz ZEGHUUDKJMSQOM-ZJUUUORDSA-N 1 0 378.267 1.698 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3cnc4ccsc4c3)CC2)CC1 ZINC000867817432 656121383 /nfs/dbraw/zinc/12/13/83/656121383.db2.gz CSCDFEUBKVDVPG-UHFFFAOYSA-N 1 0 380.539 1.697 20 0 GDADRO CC(C)n1ncc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1Br ZINC000868056049 656139104 /nfs/dbraw/zinc/13/91/04/656139104.db2.gz OTSFOLIIGHSLOY-UHFFFAOYSA-N 1 0 386.338 1.982 20 0 GDADRO C[C@@]1([NH3+])CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000868076620 656139690 /nfs/dbraw/zinc/13/96/90/656139690.db2.gz YXRQQHZHIXDIRT-OAHLLOKOSA-N 1 0 389.315 1.953 20 0 GDADRO O=C(Nc1ccccc1Br)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868089586 656140572 /nfs/dbraw/zinc/14/05/72/656140572.db2.gz VEAPPQNHTPCCMQ-GDLCADMTSA-N 1 0 395.257 1.848 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000868089852 656140591 /nfs/dbraw/zinc/14/05/91/656140591.db2.gz WRFLOSAUMXJHNK-BZZMCLGOSA-N 1 0 390.325 1.841 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Br)cn2ccnc12 ZINC000868243375 656145740 /nfs/dbraw/zinc/14/57/40/656145740.db2.gz IKEGOCXVCUONDK-CYBMUJFWSA-N 1 0 381.274 1.673 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000868247139 656146051 /nfs/dbraw/zinc/14/60/51/656146051.db2.gz ZIJORJODOKEMRT-QWRGUYRKSA-N 1 0 384.274 1.982 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868257565 656146959 /nfs/dbraw/zinc/14/69/59/656146959.db2.gz FWGJNVCXRXDRKW-UHFFFAOYSA-N 1 0 393.079 1.957 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)CCSC1 ZINC000868355341 656151665 /nfs/dbraw/zinc/15/16/65/656151665.db2.gz KIHZZBSMMZBRLC-ZIAGYGMSSA-N 1 0 382.452 1.276 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000868389184 656153712 /nfs/dbraw/zinc/15/37/12/656153712.db2.gz YAHGOPTURBUXAU-UONOGXRCSA-N 1 0 384.274 1.203 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CSC[C@H]3C2)CC[C@@H]1C(F)(F)F ZINC000868395414 656154180 /nfs/dbraw/zinc/15/41/80/656154180.db2.gz LJCYRWJRIYPTAK-LPWJVIDDSA-N 1 0 379.448 1.184 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCn3cc(Br)ccc3=O)CC[C@H]21 ZINC000868660087 656164347 /nfs/dbraw/zinc/16/43/47/656164347.db2.gz NEBBUAFDTLXWHQ-TZMCWYRMSA-N 1 0 383.290 1.346 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Br)cn2ccnc12 ZINC000869244692 656188194 /nfs/dbraw/zinc/18/81/94/656188194.db2.gz ZBNVOIREMNJAPC-UHFFFAOYSA-N 1 0 382.306 1.710 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)Cn2ccc(Br)cc2=O)C1 ZINC000870202293 656221930 /nfs/dbraw/zinc/22/19/30/656221930.db2.gz NGRUNKQFBONMMA-CQSZACIVSA-N 1 0 387.274 1.511 20 0 GDADRO COc1cc(I)ccc1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000870948901 656258910 /nfs/dbraw/zinc/25/89/10/656258910.db2.gz WAYLWJXYMZJDLW-UHFFFAOYSA-N 1 0 390.221 1.226 20 0 GDADRO CC(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1cccc(Br)c1 ZINC000870959619 656259091 /nfs/dbraw/zinc/25/90/91/656259091.db2.gz OPSMOXWKTLGEDH-QRTARXTBSA-N 1 0 380.286 1.966 20 0 GDADRO CNS(=O)(=O)c1ccc(CCNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000870979292 656259421 /nfs/dbraw/zinc/25/94/21/656259421.db2.gz YOBUNWUZQMLNHF-UHFFFAOYSA-N 1 0 379.507 1.274 20 0 GDADRO Cc1cc(Br)oc1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871001312 656259974 /nfs/dbraw/zinc/25/99/74/656259974.db2.gz XNPMZHXEQFVMCG-AXFHLTTASA-N 1 0 384.230 1.358 20 0 GDADRO Cn1ncc(I)c1CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000871020311 656260490 /nfs/dbraw/zinc/26/04/90/656260490.db2.gz TYNJWBLBJVSSGC-JTQLQIEISA-N 1 0 376.242 1.421 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)C[C@@H]1C(F)(F)F ZINC000871674368 656276186 /nfs/dbraw/zinc/27/61/86/656276186.db2.gz WOJVPDPAFMATNR-CBAPKCEASA-N 1 0 392.179 1.701 20 0 GDADRO COCC[NH2+]CCNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871807635 656280445 /nfs/dbraw/zinc/28/04/45/656280445.db2.gz QQXGHLYBFQRFDX-UHFFFAOYSA-N 1 0 375.878 1.129 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C[C@@H]1C(F)(F)F ZINC000871810984 656281127 /nfs/dbraw/zinc/28/11/27/656281127.db2.gz MGXQMIIIJWMFTE-PWSUYJOCSA-N 1 0 376.356 1.551 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C[C@@H]1C(F)(F)F ZINC000871812540 656281521 /nfs/dbraw/zinc/28/15/21/656281521.db2.gz AXRXITNHTNWSEX-YUMQZZPRSA-N 1 0 382.795 1.974 20 0 GDADRO COC(=O)c1ccccc1CS(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871812520 656281534 /nfs/dbraw/zinc/28/15/34/656281534.db2.gz AMCSWJKJUSJZPV-YPMHNXCESA-N 1 0 380.388 1.372 20 0 GDADRO COC(=O)c1cc(F)ccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871812506 656281545 /nfs/dbraw/zinc/28/15/45/656281545.db2.gz AILMNXVCMLMPFV-LDYMZIIASA-N 1 0 384.351 1.370 20 0 GDADRO COC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1C ZINC000871812671 656281679 /nfs/dbraw/zinc/28/16/79/656281679.db2.gz BEDXHFYJASPHPV-PWSUYJOCSA-N 1 0 380.388 1.539 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3=O)C[C@@H]1C(F)(F)F ZINC000871813494 656282118 /nfs/dbraw/zinc/28/21/18/656282118.db2.gz IXCCQEISWIENHJ-FZMZJTMJSA-N 1 0 376.400 1.963 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)C[C@@H]1C(F)(F)F ZINC000871814021 656282456 /nfs/dbraw/zinc/28/24/56/656282456.db2.gz NWXXMQNFTPMFMP-APPZFPTMSA-N 1 0 377.310 1.858 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(C)c1 ZINC000871813991 656282525 /nfs/dbraw/zinc/28/25/25/656282525.db2.gz NHAZLGTXDYMKEP-NWDGAFQWSA-N 1 0 380.388 1.539 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)s1 ZINC000871814537 656282840 /nfs/dbraw/zinc/28/28/40/656282840.db2.gz VVVAKEVYIBSZPM-PWSUYJOCSA-N 1 0 399.460 1.184 20 0 GDADRO O=S(=O)(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccccc1S(=O)(=O)C(F)F ZINC000871816524 656283480 /nfs/dbraw/zinc/28/34/80/656283480.db2.gz GJDOHEWDKRZSCD-GXTWGEPZSA-N 1 0 380.438 1.246 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c1OC ZINC000871819160 656283747 /nfs/dbraw/zinc/28/37/47/656283747.db2.gz JTQWCYPWPICOFK-CJNGLKHVSA-N 1 0 388.873 1.698 20 0 GDADRO C[NH+](C)C[C@H](N)c1nc(COc2ccc(I)cc2)no1 ZINC000872181537 656319181 /nfs/dbraw/zinc/31/91/81/656319181.db2.gz MKHYHWXJORSASN-NSHDSACASA-N 1 0 388.209 1.815 20 0 GDADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872186932 656319419 /nfs/dbraw/zinc/31/94/19/656319419.db2.gz PQZAPHJRQWXIDW-GHMZBOCLSA-N 1 0 378.782 1.289 20 0 GDADRO C[C@H](CN(C)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1nccs1 ZINC000872190073 656319556 /nfs/dbraw/zinc/31/95/56/656319556.db2.gz QWRNKMLTGBJCIY-OUAUKWLOSA-N 1 0 378.420 1.301 20 0 GDADRO C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C(=O)N1c1cnn(C)c1 ZINC000872203577 656319848 /nfs/dbraw/zinc/31/98/48/656319848.db2.gz INYGRTSUEIVHFE-KNXALSJPSA-N 1 0 393.285 2.000 20 0 GDADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000872229924 656320739 /nfs/dbraw/zinc/32/07/39/656320739.db2.gz SYLWQMLRRQJBNO-IFUGULHKSA-N 1 0 378.252 1.901 20 0 GDADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC2)c1 ZINC000872446271 656329378 /nfs/dbraw/zinc/32/93/78/656329378.db2.gz BIVYTSIYYBVNLY-XMMPIXPASA-N 1 0 390.531 1.353 20 0 GDADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(Br)n2)CCCO1 ZINC000872479156 656338288 /nfs/dbraw/zinc/33/82/88/656338288.db2.gz ICDBUCOLTYHYKS-GFCCVEGCSA-N 1 0 392.319 1.623 20 0 GDADRO O=S(=O)(c1cccc(Br)n1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000872506797 656344246 /nfs/dbraw/zinc/34/42/46/656344246.db2.gz HEIPJHLWRQFYGJ-LBPRGKRZSA-N 1 0 390.303 1.064 20 0 GDADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872615993 656366283 /nfs/dbraw/zinc/36/62/83/656366283.db2.gz VWSSBKQYIYQGTN-WDEREUQCSA-N 1 0 396.843 1.771 20 0 GDADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872618228 656366886 /nfs/dbraw/zinc/36/68/86/656366886.db2.gz RHTMZSYFVLNBMR-NWDGAFQWSA-N 1 0 382.379 1.674 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000873104786 656386361 /nfs/dbraw/zinc/38/63/61/656386361.db2.gz PWHOUCCEFKFFOL-RKDXNWHRSA-N 1 0 394.191 1.983 20 0 GDADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1ccc(Br)nc1 ZINC000873103030 656386419 /nfs/dbraw/zinc/38/64/19/656386419.db2.gz RQDXPYMOUOQBSG-LBPRGKRZSA-N 1 0 397.273 1.058 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)C[C@@H]1C(F)(F)F ZINC000873106713 656386656 /nfs/dbraw/zinc/38/66/56/656386656.db2.gz KGFSQUGVLQWMQE-RITPCOANSA-N 1 0 390.309 1.696 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873108962 656387092 /nfs/dbraw/zinc/38/70/92/656387092.db2.gz ADDQLHADPFFPIM-MGPLVRAMSA-N 1 0 384.249 1.903 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873109529 656387388 /nfs/dbraw/zinc/38/73/88/656387388.db2.gz WHMDOGGJPFLJGV-MGPLVRAMSA-N 1 0 382.258 1.464 20 0 GDADRO CS(=O)(=O)N1CCC(N(Cc2cc3c(s2)CC[NH2+]C3)CC(F)F)CC1 ZINC000873210453 656389768 /nfs/dbraw/zinc/38/97/68/656389768.db2.gz GTEHANPBBYQDCU-UHFFFAOYSA-N 1 0 393.525 1.885 20 0 GDADRO Cn1ncc(Br)c1CNCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873218805 656389817 /nfs/dbraw/zinc/38/98/17/656389817.db2.gz RJRFXUYIQIZFRO-UHFFFAOYSA-N 1 0 376.262 1.512 20 0 GDADRO Cn1cc(NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc(Br)c1=O ZINC000873312217 656390467 /nfs/dbraw/zinc/39/04/67/656390467.db2.gz JETLETFBSPHHET-ZDUSSCGKSA-N 1 0 391.269 1.984 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000921744987 656404680 /nfs/dbraw/zinc/40/46/80/656404680.db2.gz QTZKYBCTNMDDAL-HUUCEWRRSA-N 1 0 377.551 1.751 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000873793512 656416296 /nfs/dbraw/zinc/41/62/96/656416296.db2.gz ZCDNBMFMCYYCDU-UHFFFAOYSA-N 1 0 382.258 1.774 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000873822090 656419356 /nfs/dbraw/zinc/41/93/56/656419356.db2.gz WHJPZOIFRWJNGZ-UHFFFAOYSA-N 1 0 384.274 1.950 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000873891496 656426840 /nfs/dbraw/zinc/42/68/40/656426840.db2.gz NCWGASIHMWUVAK-GXFFZTMASA-N 1 0 382.258 1.559 20 0 GDADRO CCn1c(C[NH2+]CC[C@H](O)COC)nc(Br)c1Br ZINC000921948561 656431024 /nfs/dbraw/zinc/43/10/24/656431024.db2.gz PYSJCWXBSQWAFN-QMMMGPOBSA-N 1 0 385.100 1.915 20 0 GDADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000873941283 656431946 /nfs/dbraw/zinc/43/19/46/656431946.db2.gz GFYAMKSKUNJTCF-UHFFFAOYSA-N 1 0 382.258 1.610 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cnc1Br ZINC000874173267 656448407 /nfs/dbraw/zinc/44/84/07/656448407.db2.gz GOARGHYYMSEXPG-DGCLKSJQSA-N 1 0 381.274 1.644 20 0 GDADRO Cn1nc2c(c1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)CCC2 ZINC000922099481 656455882 /nfs/dbraw/zinc/45/58/82/656455882.db2.gz PUDXALRZOBQJFK-UHFFFAOYSA-N 1 0 386.880 1.769 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2csc(Br)n2)CC1 ZINC000874274221 656457242 /nfs/dbraw/zinc/45/72/42/656457242.db2.gz UMBNHJQARWWCNH-NSHDSACASA-N 1 0 387.303 1.460 20 0 GDADRO COc1ccc(Br)cc1C(=O)NCC[N@H+](C)CCOCCO ZINC000922119090 656457890 /nfs/dbraw/zinc/45/78/90/656457890.db2.gz HROVKYMMQMNLAK-UHFFFAOYSA-N 1 0 375.263 1.128 20 0 GDADRO C[N@H+](CCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)CCOCCO ZINC000922121442 656458066 /nfs/dbraw/zinc/45/80/66/656458066.db2.gz HFNOPSLWOSOKBB-UHFFFAOYSA-N 1 0 389.283 1.241 20 0 GDADRO C[N@H+](CCNC(=O)c1ccc(Br)cc1Cl)CCOCCO ZINC000922120388 656458111 /nfs/dbraw/zinc/45/81/11/656458111.db2.gz FPQIDZPHRFBBRT-UHFFFAOYSA-N 1 0 379.682 1.773 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874365837 656465499 /nfs/dbraw/zinc/46/54/99/656465499.db2.gz FDTLFDYABDTHNI-CHWSQXEVSA-N 1 0 381.274 1.786 20 0 GDADRO CCn1c(Br)c(Br)nc1CN(C)CC[N@H+](C)CCO ZINC000922274972 656465599 /nfs/dbraw/zinc/46/55/99/656465599.db2.gz PPFKKASBFCGHIK-UHFFFAOYSA-N 1 0 398.143 1.784 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1OCCCO1 ZINC000922280231 656465758 /nfs/dbraw/zinc/46/57/58/656465758.db2.gz YTSWVIJBSVZRSC-NSHDSACASA-N 1 0 387.274 1.815 20 0 GDADRO CCn1c(C[NH2+][C@H]2C[C@H](C(N)=O)C2)nc(Br)c1Br ZINC000922284646 656466211 /nfs/dbraw/zinc/46/62/11/656466211.db2.gz SEFWKRCOTOWTIM-LJGSYFOKSA-N 1 0 380.084 1.782 20 0 GDADRO CC[C@H]1COCCN1CC[NH2+]Cc1cn(C)nc1I ZINC000922328805 656468215 /nfs/dbraw/zinc/46/82/15/656468215.db2.gz RXNKRKNVUIGQTL-LBPRGKRZSA-N 1 0 378.258 1.225 20 0 GDADRO C[N@@H+]1CC[C@@H]1CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000922424924 656476045 /nfs/dbraw/zinc/47/60/45/656476045.db2.gz BQRKXVBSNBYHPV-SNVBAGLBSA-N 1 0 395.312 1.275 20 0 GDADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000874821578 656490069 /nfs/dbraw/zinc/49/00/69/656490069.db2.gz BUWNZLYONWQPNO-ZIAGYGMSSA-N 1 0 391.273 1.734 20 0 GDADRO C[S@@](=N)(=O)N1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000875004915 656501017 /nfs/dbraw/zinc/50/10/17/656501017.db2.gz YFGMTHIUYDHLHN-PWECECGKSA-N 1 0 385.559 1.804 20 0 GDADRO CN(C)[C@@H](CC[NH2+]Cc1c(I)cnn1C)C(F)(F)F ZINC000922751270 656505972 /nfs/dbraw/zinc/50/59/72/656505972.db2.gz NLJOSTVFTVISBN-JTQLQIEISA-N 1 0 390.191 1.997 20 0 GDADRO CC(C)[NH+]1CCC(N(C)C(=O)c2nn(C)cc2I)CC1 ZINC000875100134 656509201 /nfs/dbraw/zinc/50/92/01/656509201.db2.gz JBJGEGABZKUATN-UHFFFAOYSA-N 1 0 390.269 1.970 20 0 GDADRO CS(=O)(=O)C[C@H](O)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000922822627 656509534 /nfs/dbraw/zinc/50/95/34/656509534.db2.gz NCCYPMUAEWISAW-CYBMUJFWSA-N 1 0 376.272 1.220 20 0 GDADRO COC(=O)c1cnc([C@H](C)NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)s1 ZINC000922964119 656520073 /nfs/dbraw/zinc/52/00/73/656520073.db2.gz DAKCDOOQPGNXPK-QJPTWQEYSA-N 1 0 384.527 1.870 20 0 GDADRO C[NH+](C)C1(CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)CC1 ZINC000923001384 656521827 /nfs/dbraw/zinc/52/18/27/656521827.db2.gz CAFKZBYKDUZDFU-CQSZACIVSA-N 1 0 395.301 1.726 20 0 GDADRO O=C1NCCN(C[C@H]2CC3(C[NH2+]C3)CO2)[C@H]1c1cccc(Br)c1 ZINC000923370302 656547013 /nfs/dbraw/zinc/54/70/13/656547013.db2.gz DVPROIOWOOPKMY-CABCVRRESA-N 1 0 380.286 1.301 20 0 GDADRO O=C1NCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]1c1cccc(Br)c1 ZINC000923370303 656547372 /nfs/dbraw/zinc/54/73/72/656547372.db2.gz DVPROIOWOOPKMY-GJZGRUSLSA-N 1 0 380.286 1.301 20 0 GDADRO O=C(N1CC[NH2+]CC1)N1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000923397218 656549270 /nfs/dbraw/zinc/54/92/70/656549270.db2.gz BCWHXAWGNSJXBO-MRXNPFEDSA-N 1 0 397.317 1.125 20 0 GDADRO C[C@@H]1CC[C@H](C[NH3+])N(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@H]1C ZINC000923421555 656551830 /nfs/dbraw/zinc/55/18/30/656551830.db2.gz CSSQUNRABMSQDZ-QXSJWSMHSA-N 1 0 375.579 1.436 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCNCC[NH2+]CC1 ZINC000923464685 656553970 /nfs/dbraw/zinc/55/39/70/656553970.db2.gz RBUJITGGVGVTKR-AWEZNQCLSA-N 1 0 383.334 1.291 20 0 GDADRO C[C@@H]1CN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC[C@H]1C[NH3+] ZINC000923501024 656556697 /nfs/dbraw/zinc/55/66/97/656556697.db2.gz RDXMCGOHILBPJJ-NEPJUHHUSA-N 1 0 375.441 1.538 20 0 GDADRO C[C@H]1CN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC[C@@H]1C[NH3+] ZINC000923501025 656556810 /nfs/dbraw/zinc/55/68/10/656556810.db2.gz RDXMCGOHILBPJJ-NWDGAFQWSA-N 1 0 375.441 1.538 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2ncc(Br)s2)C1 ZINC000875784672 656564407 /nfs/dbraw/zinc/56/44/07/656564407.db2.gz JBUQGKPBMLFJND-JTQLQIEISA-N 1 0 389.319 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[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000884020420 657321428 /nfs/dbraw/zinc/32/14/28/657321428.db2.gz XSMANGMNVRZWMP-LLVKDONJSA-N 1 0 375.803 1.869 20 0 GDADRO CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](O)c2cc(Br)no2)CCOCC1 ZINC000933875572 657324885 /nfs/dbraw/zinc/32/48/85/657324885.db2.gz BHAPHPQAQCSCKY-GHMZBOCLSA-N 1 0 391.262 1.809 20 0 GDADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCCSC[C@@H]1C1CC1)S(C)(=O)=O ZINC000933913870 657325661 /nfs/dbraw/zinc/32/56/61/657325661.db2.gz KNVRMAQGNMEBMX-MRXNPFEDSA-N 1 0 391.603 1.380 20 0 GDADRO CN(C)C(=O)Cn1ccc(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884118283 657327077 /nfs/dbraw/zinc/32/70/77/657327077.db2.gz ANJYKXARSWDEDZ-AWEZNQCLSA-N 1 0 380.246 1.372 20 0 GDADRO CC(C)NC(=O)CN1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884179552 657332902 /nfs/dbraw/zinc/33/29/02/657332902.db2.gz SLUBUMPZCNDOEV-MRXNPFEDSA-N 1 0 397.317 1.118 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCC3(CC[NH2+]CC3)CC2)cs1)C(N)=O ZINC000884269653 657340898 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C[C@H]1C[C@@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC[NH2+]1 ZINC000903519360 659326777 /nfs/dbraw/zinc/32/67/77/659326777.db2.gz ZLOCOQCNEINTRU-ONGXEEELSA-N 1 0 391.287 1.738 20 0 GDADRO C[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000903532489 659331500 /nfs/dbraw/zinc/33/15/00/659331500.db2.gz HSTIEWCRZBRUDH-RISCZKNCSA-N 1 0 377.304 1.460 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)cc1OC ZINC000903538051 659333271 /nfs/dbraw/zinc/33/32/71/659333271.db2.gz LZTGGHUDLMEEDT-UHFFFAOYSA-N 1 0 378.878 1.486 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000903550171 659337645 /nfs/dbraw/zinc/33/76/45/659337645.db2.gz CBVPUVDQEDMBTD-LBPRGKRZSA-N 1 0 381.267 1.873 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1cc(Cl)ccc1Cl)C2 ZINC000903548945 659337809 /nfs/dbraw/zinc/33/78/09/659337809.db2.gz RQDIBVZVWHFDSY-ISOBSLSZSA-N 1 0 393.292 1.894 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903554639 659339930 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GDADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000903573321 659345665 /nfs/dbraw/zinc/34/56/65/659345665.db2.gz XFHCSNZCVKMPOL-VXNVDRBHSA-N 1 0 388.795 1.867 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1F ZINC000903578098 659348935 /nfs/dbraw/zinc/34/89/35/659348935.db2.gz BRXKTCQDUODAJF-CMPLNLGQSA-N 1 0 384.351 1.513 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC[C@H]1C(F)(F)F ZINC000903578274 659349221 /nfs/dbraw/zinc/34/92/21/659349221.db2.gz FBCGMRAZDQKXGK-BDAKNGLRSA-N 1 0 382.795 1.888 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903578661 659349529 /nfs/dbraw/zinc/34/95/29/659349529.db2.gz JITYGPBWBUKKDK-RYUDHWBXSA-N 1 0 384.351 1.513 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C2 ZINC000903578697 659349613 /nfs/dbraw/zinc/34/96/13/659349613.db2.gz DUBPYTMCQXICNJ-UMNHJUIQSA-N 1 0 377.388 1.688 20 0 GDADRO CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903579048 659349934 /nfs/dbraw/zinc/34/99/34/659349934.db2.gz LHBYUVUMCLMLRW-OLZOCXBDSA-N 1 0 379.404 1.854 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CC[C@H]1C(F)(F)F ZINC000903580360 659351220 /nfs/dbraw/zinc/35/12/20/659351220.db2.gz UHLGHKBQWKMCBY-RNFRBKRXSA-N 1 0 388.824 1.949 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Br)n1 ZINC000903581467 659351939 /nfs/dbraw/zinc/35/19/39/659351939.db2.gz MHZPQNGJCVZXSR-BQBZGAKWSA-N 1 0 391.213 1.083 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903581768 659352404 /nfs/dbraw/zinc/35/24/04/659352404.db2.gz ZETSJTAWDKLJTA-POYBYMJQSA-N 1 0 380.314 1.339 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]1c1cncc(Br)c1 ZINC000903585940 659354142 /nfs/dbraw/zinc/35/41/42/659354142.db2.gz ALGJSUJGPIEGPF-KBPBESRZSA-N 1 0 390.303 1.299 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])c1F ZINC000903586731 659354526 /nfs/dbraw/zinc/35/45/26/659354526.db2.gz VVJBVFTUAMSBHJ-PSLIRLAXSA-N 1 0 376.837 1.768 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c1F ZINC000903586733 659354565 /nfs/dbraw/zinc/35/45/65/659354565.db2.gz VVJBVFTUAMSBHJ-VFZGTOFNSA-N 1 0 376.837 1.768 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903587048 659354594 /nfs/dbraw/zinc/35/45/94/659354594.db2.gz NUOGXIGQGLBUEO-GFCCVEGCSA-N 1 0 381.267 1.955 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1cccc(I)c1 ZINC000903588758 659355538 /nfs/dbraw/zinc/35/55/38/659355538.db2.gz JXQJJDTVSPFBKY-ZWNOBZJWSA-N 1 0 392.262 1.793 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1)C(F)(F)F ZINC000903592276 659356810 /nfs/dbraw/zinc/35/68/10/659356810.db2.gz LMBXHOHVHNCWFX-AWEZNQCLSA-N 1 0 377.388 1.704 20 0 GDADRO [NH3+]CCc1ccc2c(c1)CCCN2S(=O)(=O)c1nc[nH]c1Br ZINC000903595425 659357465 /nfs/dbraw/zinc/35/74/65/659357465.db2.gz JXDAWCBNTWCWPL-UHFFFAOYSA-N 1 0 385.287 1.815 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cc1F ZINC000903593706 659357584 /nfs/dbraw/zinc/35/75/84/659357584.db2.gz SXVCKCVCFDGUSU-HNNXBMFYSA-N 1 0 391.490 1.104 20 0 GDADRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)c2)CC1 ZINC000903622455 659363438 /nfs/dbraw/zinc/36/34/38/659363438.db2.gz VYPIVHIPVYRTDA-DEOSSOPVSA-N 1 0 389.547 1.060 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C[C@H]1[NH3+] ZINC000903763142 659379300 /nfs/dbraw/zinc/37/93/00/659379300.db2.gz NZSFQDHZMBEDOQ-UONOGXRCSA-N 1 0 395.301 1.703 20 0 GDADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)C1 ZINC000903775837 659380142 /nfs/dbraw/zinc/38/01/42/659380142.db2.gz HCBIKAVFJAHKCX-NHYWBVRUSA-N 1 0 381.464 1.716 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903803129 659382081 /nfs/dbraw/zinc/38/20/81/659382081.db2.gz ZKSJSNSAJNFNQU-YOEHRIQHSA-N 1 0 395.301 1.705 20 0 GDADRO O=C1NCCN(CC[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(I)cc1 ZINC000903825634 659382659 /nfs/dbraw/zinc/38/26/59/659382659.db2.gz BSDTVFNUYMTWCF-IUODEOHRSA-N 1 0 399.276 1.764 20 0 GDADRO O=S1(=O)CC[C@H](c2nc(Cc3nc(CC4CC[NH2+]CC4)no3)cs2)C1 ZINC000904073774 659394390 /nfs/dbraw/zinc/39/43/90/659394390.db2.gz VHRTUTDBEAPNMN-LBPRGKRZSA-N 1 0 382.511 1.561 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(COc3ccc(Cl)cc3)no2)[C@@H]2C[NH2+]C[C@H]21 ZINC000904084977 659394558 /nfs/dbraw/zinc/39/45/58/659394558.db2.gz MUQQVQSOUIGGMZ-LEWSCRJBSA-N 1 0 383.857 1.477 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(Cc3cccc(Cl)c3F)no2)[C@H]2C[NH2+]C[C@H]21 ZINC000904085296 659394715 /nfs/dbraw/zinc/39/47/15/659394715.db2.gz YPJDECGPMRZBAM-DMDPSCGWSA-N 1 0 385.848 1.628 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(Cc3ccc(F)cc3Cl)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000904087684 659394974 /nfs/dbraw/zinc/39/49/74/659394974.db2.gz AOYWTYRRKGTOEM-SUHUHFCYSA-N 1 0 385.848 1.628 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(-c3ccccc3Br)no2)[C@H]2C[NH2+]C[C@@H]21 ZINC000904106531 659395190 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20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)CCC1(O)CCC1)c1cccc(Cl)c1 ZINC000905037800 659418310 /nfs/dbraw/zinc/41/83/10/659418310.db2.gz MJLRHAQIRPAJHO-CQSZACIVSA-N 1 0 376.906 1.264 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000905083450 659421388 /nfs/dbraw/zinc/42/13/88/659421388.db2.gz UQAQPUCMMCSYIT-CQSZACIVSA-N 1 0 383.297 1.278 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905082052 659421409 /nfs/dbraw/zinc/42/14/09/659421409.db2.gz RVEUZYCWMNKTCY-BBRMVZONSA-N 1 0 387.274 1.188 20 0 GDADRO C[S@@](=O)CC[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905099237 659423536 /nfs/dbraw/zinc/42/35/36/659423536.db2.gz ZOYTYVWBDHWMQQ-HWRSSNJWSA-N 1 0 378.416 1.135 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccccc2Br)C1)C[C@]1(O)CCOC1 ZINC000905104181 659424501 /nfs/dbraw/zinc/42/45/01/659424501.db2.gz NFKZLNNPWIKNLS-JKIFEVAISA-N 1 0 385.302 1.520 20 0 GDADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000905192416 659431352 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GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2(C)C)c(Br)c1 ZINC000905353844 659446222 /nfs/dbraw/zinc/44/62/22/659446222.db2.gz KTGJYKHEGIXOBJ-GFCCVEGCSA-N 1 0 391.287 1.655 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000905357410 659446560 /nfs/dbraw/zinc/44/65/60/659446560.db2.gz LWWZKIOKYIESLY-ZDUSSCGKSA-N 1 0 391.287 1.738 20 0 GDADRO C[C@](O)(C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)C(F)(F)C(F)(F)F ZINC000905364443 659447912 /nfs/dbraw/zinc/44/79/12/659447912.db2.gz JMXAIQUXQOZCNV-SCZZXKLOSA-N 1 0 397.387 1.421 20 0 GDADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000905473389 659455795 /nfs/dbraw/zinc/45/57/95/659455795.db2.gz KPWGHHSTWYTZAR-KEYYUXOJSA-N 1 0 376.519 1.161 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000905479348 659457265 /nfs/dbraw/zinc/45/72/65/659457265.db2.gz XFYWLPNAJHYONH-ZDUSSCGKSA-N 1 0 377.304 1.496 20 0 GDADRO COC(=O)[C@@H](F)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000905488957 659458848 /nfs/dbraw/zinc/45/88/48/659458848.db2.gz GNDSSBCCGNGBDT-ONGXEEELSA-N 1 0 384.629 1.943 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@@H](O)c2ccccc2Br)CCS(=O)(=O)C1 ZINC000905557478 659464816 /nfs/dbraw/zinc/46/48/16/659464816.db2.gz OPNCXRSQIZTMBQ-ZIAGYGMSSA-N 1 0 378.288 1.276 20 0 GDADRO Cc1cc(OC[C@H](O)C[NH2+]C[C@H](O)CS(C)(=O)=O)c(C(C)C)cc1Cl ZINC000905587820 659467017 /nfs/dbraw/zinc/46/70/17/659467017.db2.gz ILUMSUOIGIJITP-KGLIPLIRSA-N 1 0 393.933 1.507 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905618336 659469204 /nfs/dbraw/zinc/46/92/04/659469204.db2.gz WQORGGLXWVJRPQ-UHFFFAOYSA-N 1 0 392.635 1.679 20 0 GDADRO Cn1nccc1[C@@H](O)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000905622350 659470150 /nfs/dbraw/zinc/47/01/50/659470150.db2.gz AYJUYSMNVNXUFJ-AWEZNQCLSA-N 1 0 388.287 1.280 20 0 GDADRO Cn1nnc2c1C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)CC2 ZINC000905632021 659470711 /nfs/dbraw/zinc/47/07/11/659470711.db2.gz FMGHWXYSJHQJKQ-OLZOCXBDSA-N 1 0 399.264 1.604 20 0 GDADRO O=c1cc(N2CC[C@@H]([NH2+]C[C@H](O)c3ccccc3Br)C2)nc[nH]1 ZINC000905697545 659476626 /nfs/dbraw/zinc/47/66/26/659476626.db2.gz UUDHHQZRHHLYIB-RISCZKNCSA-N 1 0 379.258 1.847 20 0 GDADRO O=c1ccn(CCC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)c(=O)[nH]1 ZINC000905700926 659477215 /nfs/dbraw/zinc/47/72/15/659477215.db2.gz AUFQPKGECBWCCM-ZDUSSCGKSA-N 1 0 386.221 1.564 20 0 GDADRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000905701475 659477575 /nfs/dbraw/zinc/47/75/75/659477575.db2.gz DOAPKWUNZFHBPO-YUELXQCFSA-N 1 0 387.274 1.521 20 0 GDADRO O=c1ccn(CCC[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)c(=O)[nH]1 ZINC000905703364 659477659 /nfs/dbraw/zinc/47/76/59/659477659.db2.gz SNSRUNHRKFEXLA-CYBMUJFWSA-N 1 0 388.251 1.675 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1I)[NH+]1CCCCC1 ZINC000906351005 659533020 /nfs/dbraw/zinc/53/30/20/659533020.db2.gz GWSYLXLWGBGMAA-SNVBAGLBSA-N 1 0 376.242 1.629 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)C1 ZINC000906362912 659533867 /nfs/dbraw/zinc/53/38/67/659533867.db2.gz UPZVUBWIACZLTH-CYBMUJFWSA-N 1 0 387.527 1.175 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccn2ncc(Br)c12 ZINC000906457823 659542965 /nfs/dbraw/zinc/54/29/65/659542965.db2.gz ASYVWJSXLYEXTL-NEPJUHHUSA-N 1 0 379.258 1.690 20 0 GDADRO Cn1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c(I)n1 ZINC000906463319 659544396 /nfs/dbraw/zinc/54/43/96/659544396.db2.gz FUQRGHHMUXLCIV-UHFFFAOYSA-N 1 0 388.213 1.035 20 0 GDADRO Cn1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c(I)n1 ZINC000906568175 659555666 /nfs/dbraw/zinc/55/56/66/659555666.db2.gz XNRCWFGPYZRKCZ-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906596185 659559115 /nfs/dbraw/zinc/55/91/15/659559115.db2.gz CJHAALDQRMVYNI-CYBMUJFWSA-N 1 0 398.301 1.786 20 0 GDADRO Cc1cc(OCC(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1Br ZINC000906602538 659560254 /nfs/dbraw/zinc/56/02/54/659560254.db2.gz QGUHVDKTVLXMGU-CQSZACIVSA-N 1 0 384.318 1.888 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C1 ZINC000906674914 659568716 /nfs/dbraw/zinc/56/87/16/659568716.db2.gz ABBCOXGFWAZPEC-QWRGUYRKSA-N 1 0 381.889 1.781 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)CC[C@@H]1[NH3+] ZINC000906675319 659568730 /nfs/dbraw/zinc/56/87/30/659568730.db2.gz HKSJQQDNSOFJJC-JQWIXIFHSA-N 1 0 381.889 1.781 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906682313 659570261 /nfs/dbraw/zinc/57/02/61/659570261.db2.gz CBKBQMKOMVMBFN-CMPLNLGQSA-N 1 0 381.889 1.699 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000906708244 659574485 /nfs/dbraw/zinc/57/44/85/659574485.db2.gz SNOOPARUGQOYTP-JTQLQIEISA-N 1 0 376.201 1.780 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000906708863 659574562 /nfs/dbraw/zinc/57/45/62/659574562.db2.gz XRPVEGQTSWSTCV-SNVBAGLBSA-N 1 0 376.201 1.780 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c(Br)n1 ZINC000906715090 659574948 /nfs/dbraw/zinc/57/49/48/659574948.db2.gz GRWBXVIGSXMMBT-UHFFFAOYSA-N 1 0 381.274 1.739 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906718525 659575526 /nfs/dbraw/zinc/57/55/26/659575526.db2.gz ZFFZIXLVZDEOIK-DMDPSCGWSA-N 1 0 382.258 1.795 20 0 GDADRO O=C(Nc1ccc(Br)c2cccnc12)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906726424 659576280 /nfs/dbraw/zinc/57/62/80/659576280.db2.gz DHRMOKBNLKUNFR-MRCXROJRSA-N 1 0 389.253 1.945 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000906746700 659580407 /nfs/dbraw/zinc/58/04/07/659580407.db2.gz CFKTUEXFPSBZIM-LLVKDONJSA-N 1 0 390.267 1.777 20 0 GDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000906757851 659582976 /nfs/dbraw/zinc/58/29/76/659582976.db2.gz ZQPXJCZOAPOHKT-LLVKDONJSA-N 1 0 382.675 1.907 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC000906764618 659583481 /nfs/dbraw/zinc/58/34/81/659583481.db2.gz FGBHBIJVQIDSHL-MRXNPFEDSA-N 1 0 382.258 1.751 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c1 ZINC000906780280 659586034 /nfs/dbraw/zinc/58/60/34/659586034.db2.gz YYMWWBVUJRMOEO-QFYYESIMSA-N 1 0 382.258 1.655 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000906781802 659587212 /nfs/dbraw/zinc/58/72/12/659587212.db2.gz OILIINXZKGEQNU-SNVBAGLBSA-N 1 0 377.775 1.327 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000907009803 659641594 /nfs/dbraw/zinc/64/15/94/659641594.db2.gz WJAUVWDPKUKLSL-CYBMUJFWSA-N 1 0 390.311 1.343 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1c[nH]c2c1cccc2Br ZINC000907066375 659657739 /nfs/dbraw/zinc/65/77/39/659657739.db2.gz SYIQQQYRFRZFOV-CQSZACIVSA-N 1 0 390.303 1.521 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1c[nH]c2c1cccc2Br ZINC000907127844 659674845 /nfs/dbraw/zinc/67/48/45/659674845.db2.gz OAOYNBRTPDMOOW-UHFFFAOYSA-N 1 0 390.303 1.523 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1cnnn1-c1ccccc1Br ZINC000907235521 659705195 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GDADRO O=C(NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1csc(=O)[nH]1 ZINC001571261444 945427725 /nfs/dbraw/zinc/42/77/25/945427725.db2.gz FRFIXXURJZHECY-UHFFFAOYSA-N 1 0 385.453 1.327 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cc(C2CC2)on1 ZINC001571261820 945431341 /nfs/dbraw/zinc/43/13/41/945431341.db2.gz JLEHEYFXUZPZGD-PHIMTYICSA-N 1 0 385.453 1.844 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1ncoc1C1CC1 ZINC001571262364 945437972 /nfs/dbraw/zinc/43/79/72/945437972.db2.gz QBIPKKVRBVEIRC-PHIMTYICSA-N 1 0 385.453 1.844 20 0 GDADRO C[C@]1(C(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001571263113 945449369 /nfs/dbraw/zinc/44/93/69/945449369.db2.gz HREGXISEXTUSRZ-LIRRHRJNSA-N 1 0 385.472 1.554 20 0 GDADRO C[C@@H]1CN(C(=O)C[C@H]2CC(C)(C)CO2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571263941 945471947 /nfs/dbraw/zinc/47/19/47/945471947.db2.gz CJOPQPZWJGJSNZ-DVOMOZLQSA-N 1 0 385.472 1.148 20 0 GDADRO CCOC1CC(C(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571264092 945475863 /nfs/dbraw/zinc/47/58/63/945475863.db2.gz GALWRIHYXDSMTC-SHARSMKWSA-N 1 0 385.472 1.552 20 0 GDADRO C[C@@H]1CC[C@H](C[N@@H+]2CCCC3(CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C3)C2)O1 ZINC001571264324 945481652 /nfs/dbraw/zinc/48/16/52/945481652.db2.gz LFPCDTAIBFLEBO-UKRRQHHQSA-N 1 0 385.472 1.300 20 0 GDADRO CN(C[C@@H]1CCN(C(=O)CC2CCOCC2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571264592 945487904 /nfs/dbraw/zinc/48/79/04/945487904.db2.gz RUECMEHAGWCHKT-HNNXBMFYSA-N 1 0 385.472 1.363 20 0 GDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000820722799 945538049 /nfs/dbraw/zinc/53/80/49/945538049.db2.gz OXRPNRUVKCWRTE-HNNXBMFYSA-N 1 0 377.452 1.998 20 0 GDADRO C[C@H]1CCc2c(sc(NC(=O)CC[N@@H+]3CC[C@@](C)(O)C3)c2-c2nn[nH]n2)C1 ZINC000820728825 945540073 /nfs/dbraw/zinc/54/00/73/945540073.db2.gz YYCVMYFCKMJZRI-BBATYDOGSA-N 1 0 390.513 1.838 20 0 GDADRO CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571266935 945557107 /nfs/dbraw/zinc/55/71/07/945557107.db2.gz CVAOSDIRKSUCOP-AAEUAGOBSA-N 1 0 386.353 1.752 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cnon1 ZINC001571267797 945579472 /nfs/dbraw/zinc/57/94/72/945579472.db2.gz FARPRLAQQXSFDC-QWHCGFSZSA-N 1 0 386.391 1.220 20 0 GDADRO Cc1nonc1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001571268020 945585429 /nfs/dbraw/zinc/58/54/29/945585429.db2.gz LJADKFMLONNOER-ZANVPECISA-N 1 0 386.391 1.090 20 0 GDADRO CC[C@@H]1CN(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC[N@@H+]1CCOC ZINC000820989056 945605293 /nfs/dbraw/zinc/60/52/93/945605293.db2.gz KZUZSZBGQVZUFM-OAHLLOKOSA-N 1 0 391.451 1.258 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000821095152 945633295 /nfs/dbraw/zinc/63/32/95/945633295.db2.gz YYOICNSCLAUXTC-UHFFFAOYSA-N 1 0 383.460 1.096 20 0 GDADRO Cn1ccc(C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)n1 ZINC001571271347 945642055 /nfs/dbraw/zinc/64/20/55/945642055.db2.gz AQVULQLLVMSOJC-UHFFFAOYSA-N 1 0 386.485 1.446 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCC[C@H](CNc2ncccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571271542 945644048 /nfs/dbraw/zinc/64/40/48/945644048.db2.gz CXDPKJRAAPMKQQ-ZBFHGGJFSA-N 1 0 386.504 1.498 20 0 GDADRO CCn1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)c1 ZINC001571271665 945647828 /nfs/dbraw/zinc/64/78/28/945647828.db2.gz GVZBFCNBSDABFC-YPMHNXCESA-N 1 0 386.485 1.537 20 0 GDADRO Cc1ccnn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271889 945652907 /nfs/dbraw/zinc/65/29/07/945652907.db2.gz LXEXRPAOBLEPOI-ZDUSSCGKSA-N 1 0 386.485 1.166 20 0 GDADRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821629933 945757809 /nfs/dbraw/zinc/75/78/09/945757809.db2.gz GTVPZOAAMWJUBA-VHSXEESVSA-N 1 0 379.852 1.161 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)c1ccc(F)cn1 ZINC001571279862 945790713 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AWPHFYWMQFSZAO-IBGZPJMESA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCO2)CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571287480 945974950 /nfs/dbraw/zinc/97/49/50/945974950.db2.gz FKSVCGNPTQEKFN-IFIJOSMWSA-N 1 0 388.447 1.654 20 0 GDADRO C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571288751 945992985 /nfs/dbraw/zinc/99/29/85/945992985.db2.gz SVEULLGAWLNLBH-SUYBPPKGSA-N 1 0 388.447 1.369 20 0 GDADRO COC1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571289265 946000375 /nfs/dbraw/zinc/00/03/75/946000375.db2.gz YOHGDZVPQUMUAE-PKNZVCHQSA-N 1 0 388.447 1.367 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(CNc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001571289368 946003460 /nfs/dbraw/zinc/00/34/60/946003460.db2.gz ARUNWAXEDYTWEX-KSSFIOAISA-N 1 0 388.451 1.146 20 0 GDADRO C[NH+](C)C1(C(=O)N2CCC[C@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)CCC1 ZINC001571289401 946003808 /nfs/dbraw/zinc/00/38/08/946003808.db2.gz BUVRXEKHXKOESY-ZDUSSCGKSA-N 1 0 388.451 1.288 20 0 GDADRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(C)C)CCCO2)cc1-c1nn[nH]n1 ZINC001571289775 946016583 /nfs/dbraw/zinc/01/65/83/946016583.db2.gz MCXZGMRIQFJBRB-OAHLLOKOSA-N 1 0 388.472 1.238 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000822335882 946058724 /nfs/dbraw/zinc/05/87/24/946058724.db2.gz NBSPVRAVTUWUMH-INIZCTEOSA-N 1 0 392.511 1.940 20 0 GDADRO Cc1nc(CN2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)oc1C ZINC000822441102 946091692 /nfs/dbraw/zinc/09/16/92/946091692.db2.gz STTVNEVLENNITB-SFHVURJKSA-N 1 0 397.483 1.713 20 0 GDADRO Cc1nscc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294095 946125004 /nfs/dbraw/zinc/12/50/04/946125004.db2.gz AJQVMKHLHNSVML-XYPYZODXSA-N 1 0 389.510 1.991 20 0 GDADRO CC[C@@H](C(=O)N1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1)[NH+](C)C ZINC001571294167 946128487 /nfs/dbraw/zinc/12/84/87/946128487.db2.gz BXTPMOJSUYAGNR-KRWDZBQOSA-N 1 0 389.479 1.380 20 0 GDADRO O=C([C@@H]1C[C@H]1c1ccncc1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571295463 946163792 /nfs/dbraw/zinc/16/37/92/946163792.db2.gz UCJUBOOEETVHMU-YTQUADARSA-N 1 0 389.463 1.756 20 0 GDADRO NC(=O)CC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000822869258 946207996 /nfs/dbraw/zinc/20/79/96/946207996.db2.gz RUJWVAOMAZXHKO-UHFFFAOYSA-N 1 0 393.451 1.573 20 0 GDADRO C[NH+]1CCC(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[nH]n4)cc3Cl)C2)CC1 ZINC001571298535 946218440 /nfs/dbraw/zinc/21/84/40/946218440.db2.gz AKLGATOANPYLRC-CYBMUJFWSA-N 1 0 390.879 1.270 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1ccnc(C2CC2)n1 ZINC001571298737 946227803 /nfs/dbraw/zinc/22/78/03/946227803.db2.gz QHMCQTKJBZUKHZ-SHTZXODSSA-N 1 0 390.451 1.585 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)[C@H]3CCc4cccnc43)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571298873 946233619 /nfs/dbraw/zinc/23/36/19/946233619.db2.gz LGXRSSIXYFANTG-CABCVRRESA-N 1 0 390.451 1.130 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3scnc3Cl)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571299016 946234789 /nfs/dbraw/zinc/23/47/89/946234789.db2.gz GWDAAZYBASHSEN-SECBINFHSA-N 1 0 390.860 1.429 20 0 GDADRO O=C(NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1C[C@H]1c1ccncc1 ZINC001571298987 946234859 /nfs/dbraw/zinc/23/48/59/946234859.db2.gz SVGAIZXKRARTQE-DRPJVOAASA-N 1 0 390.451 1.189 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C1CCCC1 ZINC001571299374 946248692 /nfs/dbraw/zinc/24/86/92/946248692.db2.gz LSDTXRKKUGRBQD-CQSZACIVSA-N 1 0 390.513 1.645 20 0 GDADRO O=C([C@@H]1CCc2cccnc21)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571299529 946254500 /nfs/dbraw/zinc/25/45/00/946254500.db2.gz SZDJEBCAKQYFRT-DZGCQCFKSA-N 1 0 390.451 1.069 20 0 GDADRO CC(C)(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571299679 946258066 /nfs/dbraw/zinc/25/80/66/946258066.db2.gz YZFJCSHDMSPBMK-HNNXBMFYSA-N 1 0 390.463 1.759 20 0 GDADRO Cc1ncccc1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571306137 946388933 /nfs/dbraw/zinc/38/89/33/946388933.db2.gz QBFQQUQISMWZIH-LJQANCHMSA-N 1 0 391.479 1.893 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571306303 946393110 /nfs/dbraw/zinc/39/31/10/946393110.db2.gz RZIITDBJEATUSX-LPHOPBHVSA-N 1 0 391.479 1.942 20 0 GDADRO Cc1ncccc1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571306604 946405689 /nfs/dbraw/zinc/40/56/89/946405689.db2.gz YMJFUPNRZXGOJQ-RUCARUNLSA-N 1 0 391.479 1.797 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCCN1C(=O)c1ncccn1 ZINC001571310313 946469037 /nfs/dbraw/zinc/46/90/37/946469037.db2.gz BIIHBEOPVCOYLF-PBHICJAKSA-N 1 0 392.467 1.830 20 0 GDADRO COc1ccccc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571311150 946482938 /nfs/dbraw/zinc/48/29/38/946482938.db2.gz SCFYBZGZHJPEJM-IYARVYRRSA-N 1 0 392.463 1.855 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571313212 946514982 /nfs/dbraw/zinc/51/49/82/946514982.db2.gz KCSVTZSANKTUBS-RDTXWAMCSA-N 1 0 392.467 1.226 20 0 GDADRO CC(=O)N1CC[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)[C@@H](C)C1 ZINC000823972417 946530099 /nfs/dbraw/zinc/53/00/99/946530099.db2.gz ANPZAUHZQPGBPD-MGPUTAFESA-N 1 0 397.527 1.678 20 0 GDADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823972496 946530993 /nfs/dbraw/zinc/53/09/93/946530993.db2.gz CBZWGTJNXDKVJT-QAPCUYQASA-N 1 0 397.483 1.162 20 0 GDADRO C[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571313778 946532242 /nfs/dbraw/zinc/53/22/42/946532242.db2.gz WBCPOWBSLBGGSD-CZUORRHYSA-N 1 0 392.467 1.260 20 0 GDADRO C[C@]12CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@]1(C)C[N@H+](Cc1cccnc1)C2 ZINC001571313983 946536390 /nfs/dbraw/zinc/53/63/90/946536390.db2.gz YMGIIUPPADNPGB-BGYRXZFFSA-N 1 0 392.467 1.574 20 0 GDADRO Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)nn1 ZINC001571315612 946554587 /nfs/dbraw/zinc/55/45/87/946554587.db2.gz MIAMZVFGTKNFCJ-UHFFFAOYSA-N 1 0 392.467 1.702 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)ncn1 ZINC001571315611 946555933 /nfs/dbraw/zinc/55/59/33/946555933.db2.gz MHZJLRVCYPXNNG-OAHLLOKOSA-N 1 0 392.467 1.607 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C23CCC3)n1 ZINC001571316133 946566368 /nfs/dbraw/zinc/56/63/68/946566368.db2.gz USFXGJAVQWGNNV-HZPDHXFCSA-N 1 0 392.467 1.729 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571316171 946569826 /nfs/dbraw/zinc/56/98/26/946569826.db2.gz VKJDOYHUUGDSPA-FXAWDEMLSA-N 1 0 392.467 1.825 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2(C)C)cnn1 ZINC001571316313 946572486 /nfs/dbraw/zinc/57/24/86/946572486.db2.gz ZHEPWSGZQHFDNS-KRWDZBQOSA-N 1 0 392.467 1.606 20 0 GDADRO Cc1ncncc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001571316546 946579561 /nfs/dbraw/zinc/57/95/61/946579561.db2.gz FXZFDNRMHLTIRM-QGZVFWFLSA-N 1 0 392.467 1.606 20 0 GDADRO Cc1cnc(C(=O)N2C[C@H](C)[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571316846 946590319 /nfs/dbraw/zinc/59/03/19/946590319.db2.gz OANQWCYIPQOKAS-SUMWQHHRSA-N 1 0 392.467 1.463 20 0 GDADRO Cc1ccnc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571317002 946596657 /nfs/dbraw/zinc/59/66/57/946596657.db2.gz RNHYYJGNWUFJGW-MRXNPFEDSA-N 1 0 392.467 1.702 20 0 GDADRO Cc1ncc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)c(C)n1 ZINC001571317080 946598664 /nfs/dbraw/zinc/59/86/64/946598664.db2.gz UYSBBJHPPGSREV-YVEFUNNKSA-N 1 0 392.467 1.666 20 0 GDADRO Cc1nnccc1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571317172 946602110 /nfs/dbraw/zinc/60/21/10/946602110.db2.gz XAQNSHRJLIPKGA-QAQDUYKDSA-N 1 0 392.467 1.796 20 0 GDADRO O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317448 946611158 /nfs/dbraw/zinc/61/11/58/946611158.db2.gz IMSSAQJQKJXGCX-INIZCTEOSA-N 1 0 392.467 1.862 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)s2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571317689 946618815 /nfs/dbraw/zinc/61/88/15/946618815.db2.gz QVOOCMUZZSKYCR-WAAGHKOSSA-N 1 0 392.876 1.603 20 0 GDADRO CC(C)Cn1ncnc1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824285103 946643725 /nfs/dbraw/zinc/64/37/25/946643725.db2.gz XMAWIZHTIRGLFE-UHFFFAOYSA-N 1 0 395.515 1.822 20 0 GDADRO C[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824612021 946863180 /nfs/dbraw/zinc/86/31/80/946863180.db2.gz IEDLYZPZOAVOHA-YUNKPMOVSA-N 1 0 391.435 1.772 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824975015 947014747 /nfs/dbraw/zinc/01/47/47/947014747.db2.gz IEKVESYFJXGTRP-PBHICJAKSA-N 1 0 384.488 1.356 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825342138 947158776 /nfs/dbraw/zinc/15/87/76/947158776.db2.gz NSKBLNUZHJNLMX-ZDUSSCGKSA-N 1 0 378.502 1.722 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000825390206 947172636 /nfs/dbraw/zinc/17/26/36/947172636.db2.gz AUAQQGPUMDIELB-MAUKXSAKSA-N 1 0 383.500 1.636 20 0 GDADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 ZINC000825412057 947181467 /nfs/dbraw/zinc/18/14/67/947181467.db2.gz IXTFMGIIHQRMJU-UHFFFAOYSA-N 1 0 389.508 1.966 20 0 GDADRO CCNC(=O)N1CC[C@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825470362 947197924 /nfs/dbraw/zinc/19/79/24/947197924.db2.gz CABHKYNEFAOKEX-SFHVURJKSA-N 1 0 398.515 1.225 20 0 GDADRO C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573585364 947254299 /nfs/dbraw/zinc/25/42/99/947254299.db2.gz DTBKDSWWFDYVHS-GJZGRUSLSA-N 1 0 386.504 1.785 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573585963 947274084 /nfs/dbraw/zinc/27/40/84/947274084.db2.gz KCMIKTVIUFQSCL-UONOGXRCSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCCCC1 ZINC001573586584 947291365 /nfs/dbraw/zinc/29/13/65/947291365.db2.gz REXXXMZNCJTFGO-UONOGXRCSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573592531 947340765 /nfs/dbraw/zinc/34/07/65/947340765.db2.gz DOFRFLZNYHOZQZ-WMLDXEAASA-N 1 0 380.456 1.357 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(C)(C)C ZINC001573593418 947371121 /nfs/dbraw/zinc/37/11/21/947371121.db2.gz SXPFCVJVXFVUIC-GDBMZVCRSA-N 1 0 388.516 1.800 20 0 GDADRO C[N@H+](CCCn1ccnc1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825938925 947377804 /nfs/dbraw/zinc/37/78/04/947377804.db2.gz ZDYUGSUASMKRPJ-QGZVFWFLSA-N 1 0 380.456 1.581 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000826033352 947408510 /nfs/dbraw/zinc/40/85/10/947408510.db2.gz ATRSNGOFCHCIDU-NEWSRXKRSA-N 1 0 395.511 1.778 20 0 GDADRO C[N@@H+]1CCCC12CCN(Cc1nnc(-c3cccc(-c4nn[nH]n4)c3)o1)CC2 ZINC000826033311 947409014 /nfs/dbraw/zinc/40/90/14/947409014.db2.gz AAHGFTPEZCQDNP-UHFFFAOYSA-N 1 0 380.456 1.977 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nc3ccccn3c2-c2nn[nH]n2)CC1 ZINC000826034188 947413492 /nfs/dbraw/zinc/41/34/92/947413492.db2.gz OKYWLUTXUQEMOO-OAHLLOKOSA-N 1 0 381.488 1.121 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(F)F ZINC001573597405 947436105 /nfs/dbraw/zinc/43/61/05/947436105.db2.gz OEDRXWHNGXFFSK-YPMHNXCESA-N 1 0 382.415 1.067 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(F)F ZINC001573597936 947439065 /nfs/dbraw/zinc/43/90/65/947439065.db2.gz PNAAPXMDNXEPSE-NXEZZACHSA-N 1 0 388.444 1.128 20 0 GDADRO C[C@H](C(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573597854 947440828 /nfs/dbraw/zinc/44/08/28/947440828.db2.gz PBWCHDPTDQCEIR-ZDUSSCGKSA-N 1 0 383.460 1.084 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826132627 947446070 /nfs/dbraw/zinc/44/60/70/947446070.db2.gz FLUDUWKCXSOPGR-KXBFYZLASA-N 1 0 386.456 1.194 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000826175626 947544106 /nfs/dbraw/zinc/54/41/06/947544106.db2.gz LGVWTAIJDHBXCD-GJZGRUSLSA-N 1 0 375.473 1.983 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573613440 947562703 /nfs/dbraw/zinc/56/27/03/947562703.db2.gz AHNHBUSGPCLNBS-BHYGNILZSA-N 1 0 392.467 1.500 20 0 GDADRO C[C@H](C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573614149 947578753 /nfs/dbraw/zinc/57/87/53/947578753.db2.gz CJDTUUSVVSLDKR-ORAYPTAESA-N 1 0 381.440 1.731 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)C(F)(F)F ZINC001573616211 947619626 /nfs/dbraw/zinc/61/96/26/947619626.db2.gz VSHWQCQDTNZSMI-BXKDBHETSA-N 1 0 383.378 1.531 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573618937 947657210 /nfs/dbraw/zinc/65/72/10/947657210.db2.gz UCKZRCGLGDLCDB-NEPJUHHUSA-N 1 0 379.415 1.838 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573623590 947687016 /nfs/dbraw/zinc/68/70/16/947687016.db2.gz GSCGLVJAIXKBOS-KDOFPFPSSA-N 1 0 377.452 1.756 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573625147 947698864 /nfs/dbraw/zinc/69/88/64/947698864.db2.gz NHVWKFIMWTUNRK-HOCLYGCPSA-N 1 0 384.488 1.539 20 0 GDADRO CC(=O)CCCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573367778 947762745 /nfs/dbraw/zinc/76/27/45/947762745.db2.gz IEANJXUDKDBQPZ-LBPRGKRZSA-N 1 0 376.436 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([C@@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573367947 947765212 /nfs/dbraw/zinc/76/52/12/947765212.db2.gz JPDRNNNUZRFVKD-CABCVRRESA-N 1 0 385.472 1.400 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1C ZINC001573367925 947765703 /nfs/dbraw/zinc/76/57/03/947765703.db2.gz IYTVJVWKYDGMKG-MLGOLLRUSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)[C@@H]1C ZINC001573372689 947781571 /nfs/dbraw/zinc/78/15/71/947781571.db2.gz CCLRSJRGPWDFLB-GUYCJALGSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573373323 947791002 /nfs/dbraw/zinc/79/10/02/947791002.db2.gz HYBOUJDYNISAII-KRWDZBQOSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@@H]1C ZINC001573373306 947791268 /nfs/dbraw/zinc/79/12/68/947791268.db2.gz HNYIDNLILVKOTO-GUYCJALGSA-N 1 0 388.447 1.844 20 0 GDADRO C[C@@H](C(=O)N1CCCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573637411 947812498 /nfs/dbraw/zinc/81/24/98/947812498.db2.gz BWPURGFXDIUGAF-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573375877 947828008 /nfs/dbraw/zinc/82/80/08/947828008.db2.gz QZECCXNSQUHCBL-LBPRGKRZSA-N 1 0 376.436 1.702 20 0 GDADRO CC(=O)CCCC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCC1 ZINC001573376148 947832699 /nfs/dbraw/zinc/83/26/99/947832699.db2.gz RYIHECQXXZMPIO-QGZVFWFLSA-N 1 0 385.472 1.530 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573376918 947844694 /nfs/dbraw/zinc/84/46/94/947844694.db2.gz FIKUOYTZZBZMEM-STQMWFEESA-N 1 0 376.436 1.748 20 0 GDADRO CC(=O)CCCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573380501 947858724 /nfs/dbraw/zinc/85/87/24/947858724.db2.gz CYMFNSUXNJWRIC-UHFFFAOYSA-N 1 0 388.447 1.750 20 0 GDADRO C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C1CC1 ZINC001573642378 947860612 /nfs/dbraw/zinc/86/06/12/947860612.db2.gz PZOHTTQXCJYYET-SWLSCSKDSA-N 1 0 388.447 1.369 20 0 GDADRO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c1C ZINC000826299267 947864821 /nfs/dbraw/zinc/86/48/21/947864821.db2.gz XSZYMEWPDXIBGF-CYBMUJFWSA-N 1 0 397.487 1.680 20 0 GDADRO CC(=O)CCCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCC1 ZINC001573381505 947874001 /nfs/dbraw/zinc/87/40/01/947874001.db2.gz WPOLSISVZAGAQS-UHFFFAOYSA-N 1 0 376.486 1.816 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001573381499 947875130 /nfs/dbraw/zinc/87/51/30/947875130.db2.gz WKWNBTLMKCUJKE-HIFRSBDPSA-N 1 0 385.472 1.803 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573647383 947892231 /nfs/dbraw/zinc/89/22/31/947892231.db2.gz JOASBYXUXVIBIN-JKIFEVAISA-N 1 0 380.456 1.261 20 0 GDADRO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573657087 947996290 /nfs/dbraw/zinc/99/62/90/947996290.db2.gz KJEOHLGBXYAAPA-KUHUBIRLSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cccn1 ZINC001573673374 948113764 /nfs/dbraw/zinc/11/37/64/948113764.db2.gz KSCFYERQNBLVNR-CQSZACIVSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573673801 948114605 /nfs/dbraw/zinc/11/46/05/948114605.db2.gz LHYWQMJHZLYUMK-LSDHHAIUSA-N 1 0 384.488 1.221 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573677853 948143833 /nfs/dbraw/zinc/14/38/33/948143833.db2.gz FUPVEZMAADXQAD-ZIAGYGMSSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573679597 948164226 /nfs/dbraw/zinc/16/42/26/948164226.db2.gz LHTGXEVSWMQEEG-KGLIPLIRSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573680200 948175219 /nfs/dbraw/zinc/17/52/19/948175219.db2.gz MRCCKONPIZJWNQ-AAEUAGOBSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001573681437 948203242 /nfs/dbraw/zinc/20/32/42/948203242.db2.gz WYBOCPMLHPPKIV-NEPJUHHUSA-N 1 0 388.501 1.402 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573690267 948223198 /nfs/dbraw/zinc/22/31/98/948223198.db2.gz BYDRXRCVJTZDTA-DGCLKSJQSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573690815 948230689 /nfs/dbraw/zinc/23/06/89/948230689.db2.gz FTHZMUCPUYMUDD-FZMZJTMJSA-N 1 0 376.436 1.009 20 0 GDADRO O=C(CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCCCC1 ZINC000826407477 948239399 /nfs/dbraw/zinc/23/93/99/948239399.db2.gz ODLQFONJTWJQLE-UHFFFAOYSA-N 1 0 397.527 1.823 20 0 GDADRO O=C(C[N@@H+]1CC[C@@H](COc2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410642 948248035 /nfs/dbraw/zinc/24/80/35/948248035.db2.gz TYHOHLMWRVRNJV-QGZVFWFLSA-N 1 0 392.463 1.884 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCCC1 ZINC001573692071 948254019 /nfs/dbraw/zinc/25/40/19/948254019.db2.gz MIOVFPNDORXDBG-WBMJQRKESA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)[C@@H]1CCCO1 ZINC001573692647 948269412 /nfs/dbraw/zinc/26/94/12/948269412.db2.gz RMVIVPYGIYPUCM-CJNGLKHVSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)c1cccnc1 ZINC001573693267 948279051 /nfs/dbraw/zinc/27/90/51/948279051.db2.gz VYFQCCGVHYINAI-GFCCVEGCSA-N 1 0 383.481 1.865 20 0 GDADRO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573694264 948291554 /nfs/dbraw/zinc/29/15/54/948291554.db2.gz BYQIYFXGQWGBJS-CWTRNNRKSA-N 1 0 388.447 1.105 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)C1CC1 ZINC001573695690 948308486 /nfs/dbraw/zinc/30/84/86/948308486.db2.gz IHQVJIVCVOYFMO-GNCDUGFZSA-N 1 0 384.459 1.846 20 0 GDADRO C[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cnn(C)c1 ZINC001573704770 948382201 /nfs/dbraw/zinc/38/22/01/948382201.db2.gz AJSHAOUSOXHYQA-PCAWENJQSA-N 1 0 386.485 1.227 20 0 GDADRO C[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cnn(C)c1 ZINC001573704769 948383036 /nfs/dbraw/zinc/38/30/36/948383036.db2.gz AJSHAOUSOXHYQA-MVZIDQBPSA-N 1 0 386.485 1.227 20 0 GDADRO O=C1[C@@H]([NH+]2CCC(n3cccn3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476676 948383660 /nfs/dbraw/zinc/38/36/60/948383660.db2.gz MLPDZSFLBBLQKO-SFHVURJKSA-N 1 0 392.467 1.896 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573706115 948413314 /nfs/dbraw/zinc/41/33/14/948413314.db2.gz JRPCVISYRIWNTM-GDBMZVCRSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573707571 948435452 /nfs/dbraw/zinc/43/54/52/948435452.db2.gz QDOLCSDNEPVSJS-CQSZACIVSA-N 1 0 392.467 1.793 20 0 GDADRO c1nc2n(n1)CCC[C@@H]2NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826526936 948465163 /nfs/dbraw/zinc/46/51/63/948465163.db2.gz SJZWUSKYKUQDBN-KRWDZBQOSA-N 1 0 379.472 1.547 20 0 GDADRO C[C@@H](C(=O)NCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cn2)CC1)C1CC1 ZINC001573717964 948513018 /nfs/dbraw/zinc/51/30/18/948513018.db2.gz FXQSWBKJBSGKDQ-CYBMUJFWSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@@H]1CCCO1 ZINC001573745213 948670903 /nfs/dbraw/zinc/67/09/03/948670903.db2.gz BRNUCHHJVADEHL-CVGURMSBSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573748822 948697901 /nfs/dbraw/zinc/69/79/01/948697901.db2.gz VHAVKAXWTUMHMS-VBNZEHGJSA-N 1 0 383.431 1.805 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)n1cccn1 ZINC001573752253 948712517 /nfs/dbraw/zinc/71/25/17/948712517.db2.gz LUFVHVRGZZKMSX-MRVWCRGKSA-N 1 0 384.419 1.200 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574914417 948749137 /nfs/dbraw/zinc/74/91/37/948749137.db2.gz JATKPUXGHQSVHC-ZDUSSCGKSA-N 1 0 383.431 1.628 20 0 GDADRO CC(C)[C@H](F)C(=O)NCCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574080138 948787260 /nfs/dbraw/zinc/78/72/60/948787260.db2.gz ICKNHJZWTWDCQK-INIZCTEOSA-N 1 0 375.452 1.979 20 0 GDADRO C[C@H](CNC(=O)CCc1cnccn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574916996 948803389 /nfs/dbraw/zinc/80/33/89/948803389.db2.gz ODSKNCWNNHLSGA-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@H](CNC(=O)CCc1ccon1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574917117 948807372 /nfs/dbraw/zinc/80/73/72/948807372.db2.gz RKSVOPHRINYIFK-LLVKDONJSA-N 1 0 375.458 1.486 20 0 GDADRO C[C@@H](CNC(=O)CCCn1ccnc1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574918521 948850201 /nfs/dbraw/zinc/85/02/01/948850201.db2.gz MGJUPOBXUIIEAC-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO CC(C)c1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001574424777 948862311 /nfs/dbraw/zinc/86/23/11/948862311.db2.gz VEIWOHPUHDZWIZ-AULYBMBSSA-N 1 0 384.444 1.604 20 0 GDADRO CC(C)(C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)F ZINC001573763364 948867377 /nfs/dbraw/zinc/86/73/77/948867377.db2.gz DOCRLCKMESDVTH-NSHDSACASA-N 1 0 379.415 1.625 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1cncc(-c2nn[nH]n2)n1 ZINC001574919362 948873603 /nfs/dbraw/zinc/87/36/03/948873603.db2.gz XNSSAXMSKRRISU-CQSZACIVSA-N 1 0 387.492 1.087 20 0 GDADRO C[C@H](CNC(=O)CCc1nccn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920043 948880623 /nfs/dbraw/zinc/88/06/23/948880623.db2.gz AULDTIHAIAPAEM-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](CCNc1nc(Cl)c(-c2nn[nH]n2)s1)NC(=O)CCC[NH+](C)C ZINC001574685193 948904792 /nfs/dbraw/zinc/90/47/92/948904792.db2.gz SGKDYUHODGREJN-VIFPVBQESA-N 1 0 386.913 1.625 20 0 GDADRO C[C@H](CNC(=O)CCc1cncn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574921497 948926425 /nfs/dbraw/zinc/92/64/25/948926425.db2.gz YWYLPRRMZHMVEV-GFCCVEGCSA-N 1 0 388.501 1.231 20 0 GDADRO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCNc1ncccc1-c1nn[nH]n1 ZINC001574686757 948939399 /nfs/dbraw/zinc/93/93/99/948939399.db2.gz LBQIUCIJHXDYHI-GDBMZVCRSA-N 1 0 386.504 1.831 20 0 GDADRO CC(C)c1ncsc1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574433884 948966410 /nfs/dbraw/zinc/96/64/10/948966410.db2.gz USYUIMRGFNWOCI-UHFFFAOYSA-N 1 0 384.469 1.638 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCC1 ZINC001573773472 948987233 /nfs/dbraw/zinc/98/72/33/948987233.db2.gz CDVYEJQQDGMEAM-LBPRGKRZSA-N 1 0 378.502 1.321 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001573773504 948987374 /nfs/dbraw/zinc/98/73/74/948987374.db2.gz CMJNEUZKEWUAGS-CYBMUJFWSA-N 1 0 376.436 1.009 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573773763 948994377 /nfs/dbraw/zinc/99/43/77/948994377.db2.gz GXVOGUDTVBEYAA-OAHLLOKOSA-N 1 0 390.463 1.399 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C1CC1 ZINC001573774494 949013069 /nfs/dbraw/zinc/01/30/69/949013069.db2.gz SNFDKNVAKAXEFR-SJORKVTESA-N 1 0 384.484 1.354 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC001573774675 949018680 /nfs/dbraw/zinc/01/86/80/949018680.db2.gz QAHTXTNHMYSXKR-CYBMUJFWSA-N 1 0 392.529 1.711 20 0 GDADRO CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001574091748 949030123 /nfs/dbraw/zinc/03/01/23/949030123.db2.gz LQVVJMUAMAQNAA-YOEHRIQHSA-N 1 0 387.488 1.608 20 0 GDADRO C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575503904 949053455 /nfs/dbraw/zinc/05/34/55/949053455.db2.gz MXZHBHCJOXPANB-ZQWVLENNSA-N 1 0 381.415 1.755 20 0 GDADRO CC(C)(C(=O)NCC1CC(Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573779689 949067824 /nfs/dbraw/zinc/06/78/24/949067824.db2.gz MGJQWTJQFKHUMD-UHFFFAOYSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](F)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001575248434 949068258 /nfs/dbraw/zinc/06/82/58/949068258.db2.gz SFHFCHWDSFCUIB-RJZRQDKASA-N 1 0 375.452 1.916 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575248289 949069387 /nfs/dbraw/zinc/06/93/87/949069387.db2.gz QJZKICOWLYPRNJ-ACJLOTCBSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574930068 949105201 /nfs/dbraw/zinc/10/52/01/949105201.db2.gz JCWQAORUFRVVOT-LBPRGKRZSA-N 1 0 376.436 1.559 20 0 GDADRO C[C@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574931192 949115394 /nfs/dbraw/zinc/11/53/94/949115394.db2.gz OIKMUVFCNPZPBD-CYBMUJFWSA-N 1 0 390.463 1.949 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574446283 949125962 /nfs/dbraw/zinc/12/59/62/949125962.db2.gz MXGYDTRJESNOEC-HNNXBMFYSA-N 1 0 384.440 1.464 20 0 GDADRO CC(C)(C(=O)NC[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573782745 949133504 /nfs/dbraw/zinc/13/35/04/949133504.db2.gz XFOYGPCTDRHXLT-MRXNPFEDSA-N 1 0 383.500 1.432 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574933998 949147474 /nfs/dbraw/zinc/14/74/74/949147474.db2.gz AIHZUOVQUBCTKA-ZDUSSCGKSA-N 1 0 384.415 1.679 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573786836 949150958 /nfs/dbraw/zinc/15/09/58/949150958.db2.gz FETVKYAERZDTRE-OKILXGFUSA-N 1 0 378.440 1.116 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001575252204 949156925 /nfs/dbraw/zinc/15/69/25/949156925.db2.gz PDAUCANWJBDJAB-UONOGXRCSA-N 1 0 380.456 1.261 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574697924 949168015 /nfs/dbraw/zinc/16/80/15/949168015.db2.gz DGKYDBSOWRWXTR-OLZOCXBDSA-N 1 0 390.463 1.757 20 0 GDADRO C[C@H](c1cnccn1)[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514578 949167944 /nfs/dbraw/zinc/16/79/44/949167944.db2.gz DAFJLLSWDWDNBP-OLZOCXBDSA-N 1 0 381.444 1.140 20 0 GDADRO C[C@H](c1cnccn1)[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575514485 949168407 /nfs/dbraw/zinc/16/84/07/949168407.db2.gz CFYBCBDMBPKIMY-OLZOCXBDSA-N 1 0 381.444 1.140 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514580 949168699 /nfs/dbraw/zinc/16/86/99/949168699.db2.gz DAFJLLSWDWDNBP-QWHCGFSZSA-N 1 0 381.444 1.140 20 0 GDADRO C[C@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001575516971 949221848 /nfs/dbraw/zinc/22/18/48/949221848.db2.gz SEIFQTLLHMJEQH-YYQUZTFQSA-N 1 0 377.452 1.864 20 0 GDADRO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575517217 949227965 /nfs/dbraw/zinc/22/79/65/949227965.db2.gz UTTHAPVTPAGYMZ-OCCSQVGLSA-N 1 0 381.444 1.330 20 0 GDADRO C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001575255347 949232128 /nfs/dbraw/zinc/23/21/28/949232128.db2.gz ZGBXFRIHTIQRKO-STQMWFEESA-N 1 0 387.492 1.226 20 0 GDADRO C[C@@H](NC(=O)[C@]1(C)CCCOC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575255854 949240913 /nfs/dbraw/zinc/24/09/13/949240913.db2.gz RWOFPJASDODVAY-JLTOFOAXSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575255932 949242909 /nfs/dbraw/zinc/24/29/09/949242909.db2.gz SMQXWFXJIHQWPH-NWDGAFQWSA-N 1 0 388.451 1.334 20 0 GDADRO CC(C)n1cc(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC001574452487 949263821 /nfs/dbraw/zinc/26/38/21/949263821.db2.gz KSKISBYSLIMGML-UHFFFAOYSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(C)CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574702146 949279130 /nfs/dbraw/zinc/27/91/30/949279130.db2.gz HLYKNCUDLGDRQI-SGTLLEGYSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(C)CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574702145 949280797 /nfs/dbraw/zinc/28/07/97/949280797.db2.gz HLYKNCUDLGDRQI-KZULUSFZSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)n1ccc(CC(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)n1 ZINC001574941156 949296047 /nfs/dbraw/zinc/29/60/47/949296047.db2.gz BGHDLAKNIVTHIC-AWEZNQCLSA-N 1 0 382.472 1.481 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574941744 949319467 /nfs/dbraw/zinc/31/94/67/949319467.db2.gz SADDXDUESBWJCS-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(F)CCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574703394 949325937 /nfs/dbraw/zinc/32/59/37/949325937.db2.gz VRBGZTFUDGUODT-DIFFPNOSSA-N 1 0 380.399 1.071 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001574457655 949333023 /nfs/dbraw/zinc/33/30/23/949333023.db2.gz MFSUVPKQYJGOFF-INIZCTEOSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@]1(C)CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574703590 949339890 /nfs/dbraw/zinc/33/98/90/949339890.db2.gz WORIWIFGNKFBLZ-XIKOKIGWSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C2CC2)n1 ZINC001574460169 949371604 /nfs/dbraw/zinc/37/16/04/949371604.db2.gz RJFCXXXVOJMGKB-INIZCTEOSA-N 1 0 383.460 1.270 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574460151 949373616 /nfs/dbraw/zinc/37/36/16/949373616.db2.gz QJCIZQHJSFDQET-OAHLLOKOSA-N 1 0 383.460 1.367 20 0 GDADRO CC(C)n1ccc(C[NH2+]C2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)n1 ZINC001574460675 949377250 /nfs/dbraw/zinc/37/72/50/949377250.db2.gz WXUSBUUQLCFELD-UHFFFAOYSA-N 1 0 383.460 1.367 20 0 GDADRO C[C@H]1CCCC[C@]1(CNc1ncccc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001576155253 949391952 /nfs/dbraw/zinc/39/19/52/949391952.db2.gz HKVXHVWOPUBCQJ-IFXJQAMLSA-N 1 0 386.504 1.690 20 0 GDADRO C[C@@H](CNC(=O)Cc1cncs1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574945053 949407103 /nfs/dbraw/zinc/40/71/03/949407103.db2.gz JMSUAQGUAJTUDU-JTQLQIEISA-N 1 0 375.433 1.299 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)c1 ZINC001574464395 949412022 /nfs/dbraw/zinc/41/20/22/949412022.db2.gz NQHLPBGDPSEAMM-OAHLLOKOSA-N 1 0 381.444 1.082 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001575265252 949443539 /nfs/dbraw/zinc/44/35/39/949443539.db2.gz SNSUDYNHBCGHNI-OLZOCXBDSA-N 1 0 387.492 1.082 20 0 GDADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(-c2nn[nH]n2)c1Br ZINC001575868077 949450989 /nfs/dbraw/zinc/45/09/89/949450989.db2.gz LWEJSJWARWDEBS-BXKDBHETSA-N 1 0 379.262 1.794 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001574468906 949470279 /nfs/dbraw/zinc/47/02/79/949470279.db2.gz UXVOLQTZLYNIPG-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@H]1CCCC[C@@]1(C[NH2+]Cc1ccon1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576157542 949487616 /nfs/dbraw/zinc/48/76/16/949487616.db2.gz RHNSVZTUCOOFGU-SGTLLEGYSA-N 1 0 384.444 1.651 20 0 GDADRO CC1(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOCC1 ZINC001575537466 949493322 /nfs/dbraw/zinc/49/33/22/949493322.db2.gz VSVIFWUXRIQOSI-UHFFFAOYSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCc2cccnc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574709409 949507028 /nfs/dbraw/zinc/50/70/28/949507028.db2.gz ZGTMSVTXHMJJLN-UKRRQHHQSA-N 1 0 392.467 1.458 20 0 GDADRO CC1(C(=O)N2CCC[C@@](CO)(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCCC1 ZINC001575538126 949514541 /nfs/dbraw/zinc/51/45/41/949514541.db2.gz CNXMSZNCLANWHY-LJQANCHMSA-N 1 0 385.472 1.029 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCc2cccnc21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574710939 949516710 /nfs/dbraw/zinc/51/67/10/949516710.db2.gz CGIHXZVBQMBQLH-KSSFIOAISA-N 1 0 391.479 1.928 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575538856 949534302 /nfs/dbraw/zinc/53/43/02/949534302.db2.gz JYICQIQGZFYAII-HNAYVOBHSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]1CCCC[C@H]1OCC[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576163419 949535811 /nfs/dbraw/zinc/53/58/11/949535811.db2.gz BCOPFTVOOQSBDG-XJKSGUPXSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@H](CC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574471888 949543997 /nfs/dbraw/zinc/54/39/97/949543997.db2.gz OPRNPIQDEUTGAK-WLYUNCDWSA-N 1 0 380.456 1.538 20 0 GDADRO C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)n1ccnc1 ZINC001574475792 949578786 /nfs/dbraw/zinc/57/87/86/949578786.db2.gz BYAYRMVHRUDZQF-OAHLLOKOSA-N 1 0 382.472 1.605 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574956681 949585510 /nfs/dbraw/zinc/58/55/10/949585510.db2.gz LTEMSLYNSBEVAR-CXMBCZLWSA-N 1 0 388.447 1.415 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cnoc1 ZINC001573811351 949601816 /nfs/dbraw/zinc/60/18/16/949601816.db2.gz KPMROKQWTOQWJB-MRXNPFEDSA-N 1 0 383.456 1.718 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576167562 949608239 /nfs/dbraw/zinc/60/82/39/949608239.db2.gz QQEATHCGBZZPHD-PBHICJAKSA-N 1 0 389.504 1.794 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1ncc[nH]1 ZINC001573812048 949614187 /nfs/dbraw/zinc/61/41/87/949614187.db2.gz PTKDJHJHLWUXPW-CYBMUJFWSA-N 1 0 388.501 1.515 20 0 GDADRO CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574127714 949617352 /nfs/dbraw/zinc/61/73/52/949617352.db2.gz JKPDJHOSSMLFPH-MRXNPFEDSA-N 1 0 388.516 1.848 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccn[nH]1 ZINC001573812788 949622234 /nfs/dbraw/zinc/62/22/34/949622234.db2.gz TYVNTLPCJCYUEM-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574476882 949625242 /nfs/dbraw/zinc/62/52/42/949625242.db2.gz LJGIMZYNFKSEAP-HNNXBMFYSA-N 1 0 382.472 1.605 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH]cn1 ZINC001573813214 949631420 /nfs/dbraw/zinc/63/14/20/949631420.db2.gz XCTHNQPLMYMNNV-MRXNPFEDSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574714570 949633014 /nfs/dbraw/zinc/63/30/14/949633014.db2.gz FNOJRQBRYLHKAQ-JSGCOSHPSA-N 1 0 376.436 1.511 20 0 GDADRO CC(C)CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574129301 949634863 /nfs/dbraw/zinc/63/48/63/949634863.db2.gz SVPVUSAMJZVXJH-OAHLLOKOSA-N 1 0 392.479 1.645 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574957875 949637338 /nfs/dbraw/zinc/63/73/38/949637338.db2.gz BOWCAXDKZUCEKP-DDTOSNHZSA-N 1 0 386.485 1.060 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575548110 949657705 /nfs/dbraw/zinc/65/77/05/949657705.db2.gz RGXPEYBYMYBCRR-PXNSSMCTSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCO1 ZINC001574477616 949663928 /nfs/dbraw/zinc/66/39/28/949663928.db2.gz SOVYYERWXMHHQY-MAUKXSAKSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H]1[C@H](NC(=O)CC(C)(C)O)CCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575877462 949666579 /nfs/dbraw/zinc/66/65/79/949666579.db2.gz ZUTAFIXJFHDINS-BLLLJJGKSA-N 1 0 390.463 1.636 20 0 GDADRO CC(C)CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001574131834 949669743 /nfs/dbraw/zinc/66/97/43/949669743.db2.gz LVIMNFYYZVXEFO-IAGOWNOFSA-N 1 0 386.500 1.600 20 0 GDADRO C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575274096 949678181 /nfs/dbraw/zinc/67/81/81/949678181.db2.gz YPHVZEATORARNQ-STQMWFEESA-N 1 0 390.467 1.582 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716892 949711513 /nfs/dbraw/zinc/71/15/13/949711513.db2.gz ROWROXNVEQCTLW-CZUORRHYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C[NH2+]Cc1ccccn1 ZINC001576170259 949715095 /nfs/dbraw/zinc/71/50/95/949715095.db2.gz JTHBRDNMOIBZKL-DYVFJYSZSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@H]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576170560 949725985 /nfs/dbraw/zinc/72/59/85/949725985.db2.gz LRYOMERBCCEEDH-QAPCUYQASA-N 1 0 386.500 1.604 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cccc(=O)[nH]1 ZINC001573818295 949727926 /nfs/dbraw/zinc/72/79/26/949727926.db2.gz KBJKGXFRYLLPKX-AWEZNQCLSA-N 1 0 382.428 1.041 20 0 GDADRO 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CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nn[nH]n2)nn1 ZINC001576172076 949791755 /nfs/dbraw/zinc/79/17/55/949791755.db2.gz UOKLIXOPBBYEMI-UKRRQHHQSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1c[nH]cn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574720780 949804938 /nfs/dbraw/zinc/80/49/38/949804938.db2.gz HCXKIGFSIADICD-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574139278 949810762 /nfs/dbraw/zinc/81/07/62/949810762.db2.gz JFOBBYVYSOVIRF-KGLIPLIRSA-N 1 0 375.477 1.308 20 0 GDADRO C[C@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574965799 949819239 /nfs/dbraw/zinc/81/92/39/949819239.db2.gz LZAXKBUUSFUBFD-VIFPVBQESA-N 1 0 391.357 1.579 20 0 GDADRO C[C@@H](NC(=O)C[C@H]1CCOC1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575282238 949826000 /nfs/dbraw/zinc/82/60/00/949826000.db2.gz JJGFGGVOGGCHAM-CHWSQXEVSA-N 1 0 388.447 1.369 20 0 GDADRO 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C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575283635 949881304 /nfs/dbraw/zinc/88/13/04/949881304.db2.gz GIZLJWHJTTUGBD-NEPJUHHUSA-N 1 0 392.483 1.684 20 0 GDADRO C[C@H]1CCN(C(=O)C(F)F)C[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576178213 949883108 /nfs/dbraw/zinc/88/31/08/949883108.db2.gz GLXOSJZSRHXFMG-GXFFZTMASA-N 1 0 382.390 1.845 20 0 GDADRO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1 ZINC001574143000 949883514 /nfs/dbraw/zinc/88/35/14/949883514.db2.gz DSMMPRKTUJDUQP-GDBMZVCRSA-N 1 0 389.504 1.698 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+][C@H]1CCc2c1cccc2F ZINC001574967991 949885059 /nfs/dbraw/zinc/88/50/59/949885059.db2.gz KUXFMQUQDNWEGG-ZBEGNZNMSA-N 1 0 383.431 1.977 20 0 GDADRO C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575284188 949894507 /nfs/dbraw/zinc/89/45/07/949894507.db2.gz IAWSZOJENFNRSQ-GHMZBOCLSA-N 1 0 392.895 1.705 20 0 GDADRO 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ZINC001576180226 949943760 /nfs/dbraw/zinc/94/37/60/949943760.db2.gz DKJDHTDVVDOAQU-GDBMZVCRSA-N 1 0 384.488 1.254 20 0 GDADRO CC(C)(C)/C=C\C(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573829218 949952309 /nfs/dbraw/zinc/95/23/09/949952309.db2.gz XQDUJBYSPLDBAW-LMVHVUTASA-N 1 0 376.436 1.175 20 0 GDADRO C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575285586 949952464 /nfs/dbraw/zinc/95/24/64/949952464.db2.gz PBFOAOAIGLFCBC-GJZGRUSLSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C2CC2)CCOC1 ZINC001575571840 949962183 /nfs/dbraw/zinc/96/21/83/949962183.db2.gz BFKJOHVIHGFFAJ-APWZRJJASA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574728450 949983761 /nfs/dbraw/zinc/98/37/61/949983761.db2.gz AECIEYBTJLKHBL-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)n1cccc1 ZINC001574490430 949998983 /nfs/dbraw/zinc/99/89/83/949998983.db2.gz RMKOYJQOAWYKDI-OAGGEKHMSA-N 1 0 392.467 1.609 20 0 GDADRO CC(C)(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573831445 950002968 /nfs/dbraw/zinc/00/29/68/950002968.db2.gz YMXWPDFUPGMNLZ-HNNXBMFYSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574728790 950009898 /nfs/dbraw/zinc/00/98/98/950009898.db2.gz JSUASJZVSCCUIA-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCCO1 ZINC001574150233 950019288 /nfs/dbraw/zinc/01/92/88/950019288.db2.gz AMRIDNIMZMGDSY-NVXWUHKLSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@]1(C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCC2)CCCOC1 ZINC001575574890 950037438 /nfs/dbraw/zinc/03/74/38/950037438.db2.gz BDIVZGKGNJGIEV-LJQANCHMSA-N 1 0 384.484 1.812 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574730952 950040599 /nfs/dbraw/zinc/04/05/99/950040599.db2.gz TXWWWFBLHUFAQB-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO CC(C)C[C@@H](C[NH2+][C@@H](C)c1cnccn1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574150847 950042709 /nfs/dbraw/zinc/04/27/09/950042709.db2.gz FJYVZGNRFUHHID-JSGCOSHPSA-N 1 0 383.460 1.480 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151121 950057031 /nfs/dbraw/zinc/05/70/31/950057031.db2.gz LKIPPGKYFFQBSL-HIFRSBDPSA-N 1 0 375.477 1.356 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC[N@@H+]1CCc1ccns1 ZINC001575892236 950056934 /nfs/dbraw/zinc/05/69/34/950056934.db2.gz USWGOTROKPHBCL-AAEUAGOBSA-N 1 0 386.485 1.477 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC[N@@H+]1CCc1ccns1 ZINC001575892238 950057489 /nfs/dbraw/zinc/05/74/89/950057489.db2.gz USWGOTROKPHBCL-WCQYABFASA-N 1 0 386.485 1.477 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cn[nH]n1 ZINC001574151288 950070027 /nfs/dbraw/zinc/07/00/27/950070027.db2.gz ORIMMSLIDAXKGR-GFCCVEGCSA-N 1 0 387.423 1.058 20 0 GDADRO CC(C)C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574151435 950076842 /nfs/dbraw/zinc/07/68/42/950076842.db2.gz RCFWTCPBAASNHI-ZDUSSCGKSA-N 1 0 381.431 1.974 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CC(C)(C)O ZINC001574151408 950077131 /nfs/dbraw/zinc/07/71/31/950077131.db2.gz QSLFWSXXXOYFHB-GFCCVEGCSA-N 1 0 380.518 1.710 20 0 GDADRO CC(C)(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573836256 950079374 /nfs/dbraw/zinc/07/93/74/950079374.db2.gz IGYRKNDHMNHTMM-QGZVFWFLSA-N 1 0 378.502 1.417 20 0 GDADRO CC(C)C[C@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574151536 950084699 /nfs/dbraw/zinc/08/46/99/950084699.db2.gz USRJMOKZGWNUCL-DZGCQCFKSA-N 1 0 375.477 1.356 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2cn(C)cn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575893469 950086249 /nfs/dbraw/zinc/08/62/49/950086249.db2.gz ACTRZPRMUVNORV-XJKSGUPXSA-N 1 0 380.456 1.383 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CC(C)(C)O ZINC001574151634 950088703 /nfs/dbraw/zinc/08/87/03/950088703.db2.gz WRNFGIMFDHGESH-AWEZNQCLSA-N 1 0 392.479 1.787 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ncc[nH]1 ZINC001574151624 950089613 /nfs/dbraw/zinc/08/96/13/950089613.db2.gz WNMFCRXTGDDOOY-AWEZNQCLSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576183444 950093397 /nfs/dbraw/zinc/09/33/97/950093397.db2.gz SARYGDUFCMLEEM-DYVFJYSZSA-N 1 0 378.440 1.431 20 0 GDADRO C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576183882 950106587 /nfs/dbraw/zinc/10/65/87/950106587.db2.gz SAEYZTBVLNJNKB-PBHICJAKSA-N 1 0 386.500 1.602 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2cncn2C)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575896126 950123935 /nfs/dbraw/zinc/12/39/35/950123935.db2.gz KHIBQVVNXYSGLD-BBRMVZONSA-N 1 0 380.456 1.383 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ncccn1 ZINC001574153109 950130886 /nfs/dbraw/zinc/13/08/86/950130886.db2.gz MSKIDJBOFOXKPO-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001576184449 950134271 /nfs/dbraw/zinc/13/42/71/950134271.db2.gz VSNCQZJLLHKFPW-LSDHHAIUSA-N 1 0 386.504 1.498 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cncc(F)c1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574153681 950147383 /nfs/dbraw/zinc/14/73/83/950147383.db2.gz VYCTYWBWCCJJDB-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@H](CC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001574493949 950147772 /nfs/dbraw/zinc/14/77/72/950147772.db2.gz VPDJWBJGRKRJHH-AWEZNQCLSA-N 1 0 380.456 1.800 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2ccn(C)n2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575898762 950155583 /nfs/dbraw/zinc/15/55/83/950155583.db2.gz UFDZQVXIAWOJRM-CZUORRHYSA-N 1 0 380.456 1.383 20 0 GDADRO C[C@]1(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)CCCOC1 ZINC001575584194 950166037 /nfs/dbraw/zinc/16/60/37/950166037.db2.gz WRHOKNGLCORVDS-SFHVURJKSA-N 1 0 385.472 1.341 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574494587 950168269 /nfs/dbraw/zinc/16/82/69/950168269.db2.gz LQKGPVDVIJFHOQ-TVQRCGJNSA-N 1 0 383.378 1.579 20 0 GDADRO CC1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(F)c(-c5nn[nH]n5)c4)C[C@H]32)CCC1 ZINC001575584562 950173248 /nfs/dbraw/zinc/17/32/48/950173248.db2.gz XNTVQLMRCANJCK-PHZGNYQRSA-N 1 0 384.459 1.990 20 0 GDADRO C[C@@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575585239 950190287 /nfs/dbraw/zinc/19/02/87/950190287.db2.gz XXNCFISQNIHDFV-VCMHEYGDSA-N 1 0 376.486 1.339 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CCCOC1 ZINC001575585418 950194183 /nfs/dbraw/zinc/19/41/83/950194183.db2.gz YQFRKWLXXMKWKR-YLJYHZDGSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc2ncccc2c1 ZINC001574739622 950201924 /nfs/dbraw/zinc/20/19/24/950201924.db2.gz UEGCYLCLJLXTDE-CYBMUJFWSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C[NH2+]CC1CCOCC1 ZINC001576191645 950204698 /nfs/dbraw/zinc/20/46/98/950204698.db2.gz ITWNEOULKACVTA-BBRMVZONSA-N 1 0 387.488 1.309 20 0 GDADRO CC1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOCC1 ZINC001575585829 950209157 /nfs/dbraw/zinc/20/91/57/950209157.db2.gz DMQIHAGTVCXKFV-INIZCTEOSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576191808 950212640 /nfs/dbraw/zinc/21/26/40/950212640.db2.gz ILSRDKSQBACAKD-HIFRSBDPSA-N 1 0 378.440 1.289 20 0 GDADRO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576192012 950216551 /nfs/dbraw/zinc/21/65/51/950216551.db2.gz JJEZXJCOCKBVMQ-STQMWFEESA-N 1 0 375.452 1.606 20 0 GDADRO CC(C)(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001573845363 950222479 /nfs/dbraw/zinc/22/24/79/950222479.db2.gz YGOOBAUEEIDLOC-LJQANCHMSA-N 1 0 387.488 1.548 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574740224 950222857 /nfs/dbraw/zinc/22/28/57/950222857.db2.gz CHJNYVZTONYANC-ICCXJUOJSA-N 1 0 382.390 1.844 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(C3CC3)no2)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575901198 950225502 /nfs/dbraw/zinc/22/55/02/950225502.db2.gz MCVALCGEGQPQKA-GWCFXTLKSA-N 1 0 382.428 1.453 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1cnoc1 ZINC001575901489 950235213 /nfs/dbraw/zinc/23/52/13/950235213.db2.gz OJKWRRGCIBUPPK-ZBEGNZNMSA-N 1 0 385.403 1.316 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1ccoc1 ZINC001575901814 950239751 /nfs/dbraw/zinc/23/97/51/950239751.db2.gz QFANOPDAQLFRFC-PXAZEXFGSA-N 1 0 384.415 1.921 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574157524 950241906 /nfs/dbraw/zinc/24/19/06/950241906.db2.gz CGXYWBMOLSOZAU-GJZGRUSLSA-N 1 0 387.488 1.443 20 0 GDADRO C[C@H]1CCN(C(=O)c2cocn2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576192631 950258852 /nfs/dbraw/zinc/25/88/52/950258852.db2.gz OFZGYBHYYXFMCU-DZGCQCFKSA-N 1 0 381.440 1.743 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cccnn1 ZINC001575905716 950297558 /nfs/dbraw/zinc/29/75/58/950297558.db2.gz DQBYZGOHYPCIAX-XHDPSFHLSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cnon2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576193621 950306619 /nfs/dbraw/zinc/30/66/19/950306619.db2.gz UXBHBEGXZSBMRI-IUODEOHRSA-N 1 0 382.428 1.138 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1(F)CCOCC1 ZINC001574159619 950311897 /nfs/dbraw/zinc/31/18/97/950311897.db2.gz WTIHTSCEFWPWPH-CYBMUJFWSA-N 1 0 391.451 1.145 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)C1=CCOCC1 ZINC001575907192 950330790 /nfs/dbraw/zinc/33/07/90/950330790.db2.gz MMWZEHXGTVQJPK-PXAZEXFGSA-N 1 0 386.431 1.432 20 0 GDADRO C[C@@H](CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCCO1 ZINC001574501517 950337262 /nfs/dbraw/zinc/33/72/62/950337262.db2.gz FFIYPDDSNIOPJQ-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccn(C)c1 ZINC001575907976 950348885 /nfs/dbraw/zinc/34/88/85/950348885.db2.gz SDAXRPWNZZOCTN-PXAZEXFGSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)C1CC(F)(F)C1 ZINC001575908557 950371241 /nfs/dbraw/zinc/37/12/41/950371241.db2.gz VFLJBZCHDLNCRJ-IAQYHMDHSA-N 1 0 376.411 1.991 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1c[nH]cn1 ZINC001575908876 950381502 /nfs/dbraw/zinc/38/15/02/950381502.db2.gz WSAJZXBPWSMPLM-CXAGYDPISA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@]1(C(=O)NCCC2(C[NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575597080 950398995 /nfs/dbraw/zinc/39/89/95/950398995.db2.gz XLQUSEZAIVMHBP-LJQANCHMSA-N 1 0 384.484 1.669 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574503050 950400852 /nfs/dbraw/zinc/40/08/52/950400852.db2.gz SPRMTUKXMJKYIO-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO CC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOCC1 ZINC001575597318 950407461 /nfs/dbraw/zinc/40/74/61/950407461.db2.gz OSEKFFHHGJRQGM-JCNLHEQBSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576199315 950424280 /nfs/dbraw/zinc/42/42/80/950424280.db2.gz YHIHXZNKOBLXQO-QWHCGFSZSA-N 1 0 388.451 1.003 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(F)c[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574750480 950427685 /nfs/dbraw/zinc/42/76/85/950427685.db2.gz AYOYWNPZQGZYMH-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576202577 950430786 /nfs/dbraw/zinc/43/07/86/950430786.db2.gz BIKLLGZBRWFYCQ-RDBSUJKOSA-N 1 0 387.513 1.055 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC2(CNc3ncccc3-c3nn[nH]n3)CCCC2)C1 ZINC001576202840 950435416 /nfs/dbraw/zinc/43/54/16/950435416.db2.gz CNBGNQCUNIZDSB-CQSZACIVSA-N 1 0 384.488 1.444 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@](C)(CNc2ccc(-c3nn[nH]n3)cn2)C2CC2)C1 ZINC001576203674 950449444 /nfs/dbraw/zinc/44/94/44/950449444.db2.gz ICESWROMPDUCMO-ORAYPTAESA-N 1 0 384.488 1.300 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575912218 950461377 /nfs/dbraw/zinc/46/13/77/950461377.db2.gz QPZQOCDMRHRPML-SWLSCSKDSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@H](C)c1ccc(F)cc1F ZINC001574993583 950463249 /nfs/dbraw/zinc/46/32/49/950463249.db2.gz LIMULOLFVOFZLO-NXEZZACHSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@H](C[C@@H](C)Nc1ccc(-c2nn[nH]n2)nc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204598 950466889 /nfs/dbraw/zinc/46/68/89/950466889.db2.gz QMQJDDNPJCJZBC-HUUCEWRRSA-N 1 0 386.504 1.689 20 0 GDADRO C[C@]1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575605544 950467420 /nfs/dbraw/zinc/46/74/20/950467420.db2.gz LKLGLAJVSTYXGO-FTRWYGJKSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)COCC(F)F ZINC001575912917 950474870 /nfs/dbraw/zinc/47/48/70/950474870.db2.gz RQDQDOHQWSCLKE-BXUZGUMPSA-N 1 0 380.399 1.227 20 0 GDADRO CC(C)CCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574167440 950481491 /nfs/dbraw/zinc/48/14/91/950481491.db2.gz CFINJCTUPBTJOS-INIZCTEOSA-N 1 0 392.479 1.693 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(=O)[nH]c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574752843 950500649 /nfs/dbraw/zinc/50/06/49/950500649.db2.gz BEBYVGUFMAPHFL-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H]1[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575915394 950515816 /nfs/dbraw/zinc/51/58/16/950515816.db2.gz WYSJZFXBEXTJLB-GOEBONIOSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001574995720 950516500 /nfs/dbraw/zinc/51/65/00/950516500.db2.gz HTBPPFZSMHXTCR-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573867174 950524073 /nfs/dbraw/zinc/52/40/73/950524073.db2.gz RWAIOLLSKZXRJR-GFCCVEGCSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1c[nH]cn1 ZINC001575915856 950526307 /nfs/dbraw/zinc/52/63/07/950526307.db2.gz XQGATNBKLSXDPV-DYVFJYSZSA-N 1 0 380.456 1.302 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@H]2CCCN2c2ncccc2-c2nn[nH]n2)CC1 ZINC001576205735 950534773 /nfs/dbraw/zinc/53/47/73/950534773.db2.gz NWBRFNPWQWSVOJ-OAHLLOKOSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccccc1OC1CC1 ZINC001574997446 950550509 /nfs/dbraw/zinc/55/05/09/950550509.db2.gz VIJFEWRSNCODTG-GFCCVEGCSA-N 1 0 381.440 1.644 20 0 GDADRO C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206630 950576049 /nfs/dbraw/zinc/57/60/49/950576049.db2.gz YLONIRSNWWTGCU-KBPBESRZSA-N 1 0 389.479 1.284 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)c[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574999515 950583012 /nfs/dbraw/zinc/58/30/12/950583012.db2.gz LBBUPSFRLRRNCX-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)c[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574999514 950584205 /nfs/dbraw/zinc/58/42/05/950584205.db2.gz LBBUPSFRLRRNCX-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573870428 950591315 /nfs/dbraw/zinc/59/13/15/950591315.db2.gz WBPBQPWDDDZIFO-MRXNPFEDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)no1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575000122 950594324 /nfs/dbraw/zinc/59/43/24/950594324.db2.gz PCEYGEGHPOYQSZ-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001576208242 950605089 /nfs/dbraw/zinc/60/50/89/950605089.db2.gz NTOOWXRDWPMXNN-KOMQPUFPSA-N 1 0 384.488 1.300 20 0 GDADRO CC(C)CCC(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574173903 950606142 /nfs/dbraw/zinc/60/61/42/950606142.db2.gz ARKFFNOYDIPDLM-FQEVSTJZSA-N 1 0 386.500 1.746 20 0 GDADRO CC1CC[NH+](CC(=O)NCCCNc2cccc(F)c2-c2nn[nH]n2)CC1 ZINC001576208431 950611793 /nfs/dbraw/zinc/61/17/93/950611793.db2.gz PRIJZXZRYPTJBO-UHFFFAOYSA-N 1 0 375.452 1.656 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccccc1O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574759135 950630104 /nfs/dbraw/zinc/63/01/04/950630104.db2.gz KXPIPODXCQZROY-LBPRGKRZSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574515698 950634191 /nfs/dbraw/zinc/63/41/91/950634191.db2.gz DYUVGNIZCYMWBQ-GMTAPVOTSA-N 1 0 383.378 1.579 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573873067 950635229 /nfs/dbraw/zinc/63/52/29/950635229.db2.gz DTLDQFPCOQBQEQ-OKILXGFUSA-N 1 0 376.436 1.558 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574518674 950654314 /nfs/dbraw/zinc/65/43/14/950654314.db2.gz PKSRTELJPWSBKG-BPUTZDHNSA-N 1 0 380.456 1.451 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COc1ccsc1 ZINC001575923528 950663787 /nfs/dbraw/zinc/66/37/87/950663787.db2.gz BTGBIUHHLFJZGG-FZMZJTMJSA-N 1 0 385.453 1.225 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575926315 950704206 /nfs/dbraw/zinc/70/42/06/950704206.db2.gz JFUCNNGMXPIBOL-BXUZGUMPSA-N 1 0 378.440 1.216 20 0 GDADRO CC(C)n1cnc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)c1 ZINC001574762187 950704643 /nfs/dbraw/zinc/70/46/43/950704643.db2.gz WWDCQHJYOMNPAT-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575926316 950707271 /nfs/dbraw/zinc/70/72/71/950707271.db2.gz JFUCNNGMXPIBOL-FZMZJTMJSA-N 1 0 378.440 1.216 20 0 GDADRO CC1(C)CC(C(=O)NC2CC3(C2)CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C3)C1 ZINC001575628747 950723618 /nfs/dbraw/zinc/72/36/18/950723618.db2.gz FZWCMNADLGEYEM-UHFFFAOYSA-N 1 0 381.484 1.959 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575926958 950726476 /nfs/dbraw/zinc/72/64/76/950726476.db2.gz MZKWFWYILQEXEJ-MLGOLLRUSA-N 1 0 381.415 1.467 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574763768 950731311 /nfs/dbraw/zinc/73/13/11/950731311.db2.gz KIKCEWCURVSTTA-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576216600 950737484 /nfs/dbraw/zinc/73/74/84/950737484.db2.gz DUNBUOYATRTIGO-VXGBXAGGSA-N 1 0 391.426 1.625 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574763942 950739185 /nfs/dbraw/zinc/73/91/85/950739185.db2.gz NHSGRAQRMHMADX-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574764762 950762457 /nfs/dbraw/zinc/76/24/57/950762457.db2.gz XXJIQYLUPORRNB-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCn1ccnc1 ZINC001574520961 950763026 /nfs/dbraw/zinc/76/30/26/950763026.db2.gz BRFYSXCUWMFEOW-GJZGRUSLSA-N 1 0 382.472 1.526 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncccc1O)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574764992 950770849 /nfs/dbraw/zinc/77/08/49/950770849.db2.gz BGQPIJOXQVBRBJ-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COC1CCCCC1 ZINC001575928096 950772096 /nfs/dbraw/zinc/77/20/96/950772096.db2.gz YMYVEGFTDXMERQ-XJKSGUPXSA-N 1 0 385.472 1.434 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cnoc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574521288 950775246 /nfs/dbraw/zinc/77/52/46/950775246.db2.gz DXOSSKYZQWYOJI-NEPJUHHUSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@@H](CN(C)C(=O)c1conc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574765239 950777481 /nfs/dbraw/zinc/77/74/81/950777481.db2.gz GUFPAYKLIJMJPS-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1ccc[nH]1 ZINC001574523429 950813285 /nfs/dbraw/zinc/81/32/85/950813285.db2.gz NMFWAIGLPKHLHD-STQMWFEESA-N 1 0 385.447 1.950 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CC1OCCCO1 ZINC001574523596 950816022 /nfs/dbraw/zinc/81/60/22/950816022.db2.gz OJGKDZACBWIQLT-UONOGXRCSA-N 1 0 388.472 1.393 20 0 GDADRO CC1(C)CC(C[NH+]2CCC(CO)(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001575638428 950832120 /nfs/dbraw/zinc/83/21/20/950832120.db2.gz CFGFHFMCFZTDGT-UHFFFAOYSA-N 1 0 387.488 1.188 20 0 GDADRO CC(C)OCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574523931 950839889 /nfs/dbraw/zinc/83/98/89/950839889.db2.gz SHYDHVLRZVOHNY-STQMWFEESA-N 1 0 378.452 1.804 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1cc[nH]n1 ZINC001574523955 950840031 /nfs/dbraw/zinc/84/00/31/950840031.db2.gz SLYUDALEOXUTQM-VXGBXAGGSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1ncc[nH]1 ZINC001574524133 950843796 /nfs/dbraw/zinc/84/37/96/950843796.db2.gz UCKZVPIZIBWWKF-NWDGAFQWSA-N 1 0 386.435 1.345 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001575638855 950851860 /nfs/dbraw/zinc/85/18/60/950851860.db2.gz KLOQUBJFZJOERE-HNNXBMFYSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1=COCCO1 ZINC001574524305 950852261 /nfs/dbraw/zinc/85/22/61/950852261.db2.gz VGPURKUZRGWYGJ-NWDGAFQWSA-N 1 0 390.419 1.267 20 0 GDADRO C[C@H](CN(C)C(=O)c1nccs1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574767578 950860497 /nfs/dbraw/zinc/86/04/97/950860497.db2.gz RVVUMRZPURDVEI-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CC1(O)CCC1 ZINC001574524874 950879103 /nfs/dbraw/zinc/87/91/03/950879103.db2.gz ZWGJQOICFLUQMB-QWHCGFSZSA-N 1 0 390.463 1.684 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnccn1 ZINC001574527841 950910018 /nfs/dbraw/zinc/91/00/18/950910018.db2.gz HYAWVEMKXOZHAZ-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001576227540 950914952 /nfs/dbraw/zinc/91/49/52/950914952.db2.gz DQOKVTWLILTCIX-UKRRQHHQSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576227644 950921320 /nfs/dbraw/zinc/92/13/20/950921320.db2.gz GUEBXONRPDQUJP-NHYWBVRUSA-N 1 0 388.451 1.001 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cncnc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574528092 950924658 /nfs/dbraw/zinc/92/46/58/950924658.db2.gz KYNXFFAZAQMIGK-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnccn1 ZINC001574528170 950929004 /nfs/dbraw/zinc/92/90/04/950929004.db2.gz LTPYRUVNMHWJIZ-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574771814 950943533 /nfs/dbraw/zinc/94/35/33/950943533.db2.gz KSQWTIQJABVYHR-HXPMCKFVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]CCC1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529011 950946955 /nfs/dbraw/zinc/94/69/55/950946955.db2.gz PBQLQMYGUFSBAU-STQMWFEESA-N 1 0 375.477 1.498 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1csnn1 ZINC001574529750 950958564 /nfs/dbraw/zinc/95/85/64/950958564.db2.gz RXVFUCBFDATXSJ-VHSXEESVSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOC1 ZINC001574772182 950963259 /nfs/dbraw/zinc/96/32/59/950963259.db2.gz QSXBYVSIJQXORQ-CHWSQXEVSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cccnn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574530061 950971044 /nfs/dbraw/zinc/97/10/44/950971044.db2.gz SRMBTRRAJIDJRR-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1CCOCC1 ZINC001574773266 950983159 /nfs/dbraw/zinc/98/31/59/950983159.db2.gz WIHRTUMHAZBEIP-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576230020 950983626 /nfs/dbraw/zinc/98/36/26/950983626.db2.gz KYNBAVBXHPZWGB-ZFWWWQNUSA-N 1 0 384.488 1.252 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575644795 950998564 /nfs/dbraw/zinc/99/85/64/950998564.db2.gz XSBZQVGAUNFQNJ-UZLBHIALSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](CNC(=O)c1ccc(N(C)C)nc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575024327 951097921 /nfs/dbraw/zinc/09/79/21/951097921.db2.gz AXUGBJUKFNNPLB-LLVKDONJSA-N 1 0 386.485 1.297 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575025059 951122279 /nfs/dbraw/zinc/12/22/79/951122279.db2.gz TYVVHYKRVVKIKH-AWEZNQCLSA-N 1 0 391.479 1.767 20 0 GDADRO C[C@H](CNC(=O)c1ccc2nonc2c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575025885 951136532 /nfs/dbraw/zinc/13/65/32/951136532.db2.gz CLQPNAVKZOSZTE-GFCCVEGCSA-N 1 0 392.423 1.653 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(CNc2ncccc2-c2nn[nH]n2)c1)[NH+](C)C ZINC001575025959 951137656 /nfs/dbraw/zinc/13/76/56/951137656.db2.gz DLBWTGXICRVBLU-ZDUSSCGKSA-N 1 0 380.456 1.554 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575043521 951395864 /nfs/dbraw/zinc/39/58/64/951395864.db2.gz SSBOCIILAPYPRS-ZDUSSCGKSA-N 1 0 382.472 1.632 20 0 GDADRO C[C@@H](CNC(=O)c1cn2c(n1)CCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575043734 951402772 /nfs/dbraw/zinc/40/27/72/951402772.db2.gz MOIFBHORASFZDB-NSHDSACASA-N 1 0 384.419 1.057 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575044642 951418079 /nfs/dbraw/zinc/41/80/79/951418079.db2.gz UFMHIFQNQQZXMF-GFCCVEGCSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2ccccc2c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575045134 951425883 /nfs/dbraw/zinc/42/58/83/951425883.db2.gz ZXAXFVFWXIAIQH-CYBMUJFWSA-N 1 0 388.435 1.710 20 0 GDADRO C[C@H](CNC(=O)c1cncc(F)c1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575045961 951436162 /nfs/dbraw/zinc/43/61/62/951436162.db2.gz JVUUWIOFGNCVQT-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1cncnc1C1CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575047216 951453974 /nfs/dbraw/zinc/45/39/74/951453974.db2.gz ZPHJNVIUBXUXAF-NSHDSACASA-N 1 0 379.428 1.184 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C(F)F)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575052884 951473138 /nfs/dbraw/zinc/47/31/38/951473138.db2.gz PWYFDWVBJUXABM-JTQLQIEISA-N 1 0 376.371 1.366 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575055300 951501604 /nfs/dbraw/zinc/50/16/04/951501604.db2.gz PXBQGDRHUBPZBF-NSHDSACASA-N 1 0 384.419 1.057 20 0 GDADRO C[C@@H](CNC(=O)c1csc(=O)[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575055799 951511655 /nfs/dbraw/zinc/51/16/55/951511655.db2.gz AEJLKTSTTFLPEU-QMMMGPOBSA-N 1 0 377.405 1.076 20 0 GDADRO C[C@@H](CNC(=O)c1conc1C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575057820 951530002 /nfs/dbraw/zinc/53/00/02/951530002.db2.gz QVIVAGGSJMURMB-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1csc(Cl)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575060708 951545103 /nfs/dbraw/zinc/54/51/03/951545103.db2.gz DQMZHQVDAYXALX-SECBINFHSA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1csc(Cl)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575060773 951547479 /nfs/dbraw/zinc/54/74/79/951547479.db2.gz GISUKMFKFXSPLC-QMMMGPOBSA-N 1 0 378.849 1.626 20 0 GDADRO C[C@@H](CNC(=O)c1nccs1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575065227 951580852 /nfs/dbraw/zinc/58/08/52/951580852.db2.gz AAGDGFCURIIPHS-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)c1ncoc1C1CC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575065501 951586020 /nfs/dbraw/zinc/58/60/20/951586020.db2.gz HTNJLXHJNLLJIK-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1occ2c1CCC2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575066376 951595005 /nfs/dbraw/zinc/59/50/05/951595005.db2.gz KVNMGPBMRKVHGN-NSHDSACASA-N 1 0 384.415 1.996 20 0 GDADRO CC(C)c1ocnc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575067559 951615628 /nfs/dbraw/zinc/61/56/28/951615628.db2.gz VGVLPKOBACAQAR-SNVBAGLBSA-N 1 0 375.458 1.948 20 0 GDADRO CC(C)c1ocnc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575067558 951616018 /nfs/dbraw/zinc/61/60/18/951616018.db2.gz VGVLPKOBACAQAR-JTQLQIEISA-N 1 0 375.458 1.948 20 0 GDADRO C[C@H](CNC(=O)c1nn(C)cc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575067732 951621870 /nfs/dbraw/zinc/62/18/70/951621870.db2.gz XFYOXYFICGMBQJ-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H](CNC(=O)c1noc2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575067798 951623799 /nfs/dbraw/zinc/62/37/99/951623799.db2.gz ZHOFIKSHBVNORC-JTQLQIEISA-N 1 0 387.469 1.703 20 0 GDADRO C[C@@H](CNC(=O)C1(CCF)CC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077018 951658493 /nfs/dbraw/zinc/65/84/93/951658493.db2.gz ASZVTMZBLRQRJM-GFCCVEGCSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H](O)c1ccccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077170 951662946 /nfs/dbraw/zinc/66/29/46/951662946.db2.gz DYFFPJLJKVLZGJ-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO CC(C)SCC(=O)NC[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077958 951676338 /nfs/dbraw/zinc/67/63/38/951676338.db2.gz INQHEKSPYICZKR-LBPRGKRZSA-N 1 0 380.493 1.989 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@@H](O)c1ccccc1F ZINC001575079756 951696265 /nfs/dbraw/zinc/69/62/65/951696265.db2.gz OMHTYTJILJIQLB-BDJLRTHQSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1ncccc1O ZINC001575079832 951697252 /nfs/dbraw/zinc/69/72/52/951697252.db2.gz GYTYTDCOZOQQJK-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCCO1 ZINC001575080026 951701844 /nfs/dbraw/zinc/70/18/44/951701844.db2.gz JJMRTDRAFCJEGX-BLLLJJGKSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001575080151 951705098 /nfs/dbraw/zinc/70/50/98/951705098.db2.gz PDSYVPJRIDGYDW-NEPJUHHUSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080554 951713149 /nfs/dbraw/zinc/71/31/49/951713149.db2.gz YDWRMJFLQDAJOW-DOMZBBRYSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081660 951725842 /nfs/dbraw/zinc/72/58/42/951725842.db2.gz RHPKHBFDRJWKCK-CYBMUJFWSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575081912 951728616 /nfs/dbraw/zinc/72/86/16/951728616.db2.gz SYEDTPJKFFNRNO-DJJJIMSYSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575081918 951729589 /nfs/dbraw/zinc/72/95/89/951729589.db2.gz SYEDTPJKFFNRNO-YJYMSZOUSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]cc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082171 951730490 /nfs/dbraw/zinc/73/04/90/951730490.db2.gz VISXYTANUNEBSX-SECBINFHSA-N 1 0 376.371 1.024 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)COC(C)(C)C ZINC001575082207 951730551 /nfs/dbraw/zinc/73/05/51/951730551.db2.gz VSLXRXHJTRUIHI-LBPRGKRZSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@H](CNC(=O)C1(CF)CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082716 951736056 /nfs/dbraw/zinc/73/60/56/951736056.db2.gz YRJQQJXUFXBJEU-LBPRGKRZSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575088850 951742624 /nfs/dbraw/zinc/74/26/24/951742624.db2.gz BYTNGKLRCGOWHO-OXQOHEQNSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1CCOCC1 ZINC001575089140 951746251 /nfs/dbraw/zinc/74/62/51/951746251.db2.gz DWPKZKQDQQGMDU-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)c1cn[nH]c1)C1CC1 ZINC001575089868 951755749 /nfs/dbraw/zinc/75/57/49/951755749.db2.gz IBCHMFUJJKKCKQ-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575090142 951756990 /nfs/dbraw/zinc/75/69/90/951756990.db2.gz JQWAHZBMLJBPDQ-GUYCJALGSA-N 1 0 376.486 1.482 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575090289 951760009 /nfs/dbraw/zinc/76/00/09/951760009.db2.gz KGKBZFDSRDYIEF-XIKOKIGWSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)n1cccc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090350 951760127 /nfs/dbraw/zinc/76/01/27/951760127.db2.gz KUPRERKSVKPTRW-KGLIPLIRSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1(C(F)F)CC1 ZINC001575090926 951764755 /nfs/dbraw/zinc/76/47/55/951764755.db2.gz OCBCDGZRFAHRPZ-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CNC(=O)C1(c2ccccn2)CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091675 951782638 /nfs/dbraw/zinc/78/26/38/951782638.db2.gz UOQAPFJRGGGBAX-HNNXBMFYSA-N 1 0 391.479 1.835 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC001575091784 951783504 /nfs/dbraw/zinc/78/35/04/951783504.db2.gz YCHJQUYXBNYFMT-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)C(C)(C)c1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092012 951788941 /nfs/dbraw/zinc/78/89/41/951788941.db2.gz XTDLGLCNQFSRDL-ZDUSSCGKSA-N 1 0 382.472 1.410 20 0 GDADRO C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092175 951790251 /nfs/dbraw/zinc/79/02/51/951790251.db2.gz AQSAFVQQAZXMLK-ZDUSSCGKSA-N 1 0 379.468 1.839 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001575092578 951794473 /nfs/dbraw/zinc/79/44/73/951794473.db2.gz FLMHTBSSMOKHHT-ZTQAJYAQSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnn2c1CCC2 ZINC001575092921 951794526 /nfs/dbraw/zinc/79/45/26/951794526.db2.gz FWWGWZCOAILNNU-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]nc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095751 951815872 /nfs/dbraw/zinc/81/58/72/951815872.db2.gz WJKYWDXEDZHBEE-LBPRGKRZSA-N 1 0 380.456 1.623 20 0 GDADRO C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1ccnc1 ZINC001575098102 951818968 /nfs/dbraw/zinc/81/89/68/951818968.db2.gz ARIYCMRKTCZFNR-CHWSQXEVSA-N 1 0 388.501 1.618 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099052 951829222 /nfs/dbraw/zinc/82/92/22/951829222.db2.gz HWYLLBYZFYUBOG-SNVBAGLBSA-N 1 0 387.469 1.949 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)o1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099266 951830770 /nfs/dbraw/zinc/83/07/70/951830770.db2.gz JMHVIBXQNSAUJC-JTQLQIEISA-N 1 0 387.469 1.949 20 0 GDADRO C[C@@H](CNC(=O)CCC1CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100928 951850668 /nfs/dbraw/zinc/85/06/68/951850668.db2.gz WXEHCASITQHTCK-CYBMUJFWSA-N 1 0 392.529 1.977 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100999 951851832 /nfs/dbraw/zinc/85/18/32/951851832.db2.gz XMKNRICUDDJCRK-CYBMUJFWSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)COC1CCCC1 ZINC001575101123 951854542 /nfs/dbraw/zinc/85/45/42/951854542.db2.gz ZVCAUYXSOGIYAZ-GFCCVEGCSA-N 1 0 378.502 1.824 20 0 GDADRO C[C@@H](CNC(=O)Cc1cscn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101474 951860585 /nfs/dbraw/zinc/86/05/85/951860585.db2.gz FJGZJPYHNNGHEF-LLVKDONJSA-N 1 0 389.460 1.547 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1ccnc(F)c1 ZINC001575101529 951861519 /nfs/dbraw/zinc/86/15/19/951861519.db2.gz GNDOFHPUZZMSGR-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)Cc1ncccc1F ZINC001575101533 951861792 /nfs/dbraw/zinc/86/17/92/951861792.db2.gz GTOKNTIGTOZFJY-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)(NC(=O)c1cn[nH]c1)C1CC1 ZINC001575102375 951868962 /nfs/dbraw/zinc/86/89/62/951868962.db2.gz MGJNUROMCIEGOE-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@H](CNC(=O)Cc1cncs1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103338 951874918 /nfs/dbraw/zinc/87/49/18/951874918.db2.gz SMPFLMBWDBTKLU-NSHDSACASA-N 1 0 389.460 1.547 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001575103456 951876232 /nfs/dbraw/zinc/87/62/32/951876232.db2.gz UNNVSMVSCOZIOT-NSHDSACASA-N 1 0 386.485 1.321 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CC(C)(C)CO1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104480 951886563 /nfs/dbraw/zinc/88/65/63/951886563.db2.gz DIVCHUKIPUXLGD-YOEHRIQHSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1cncc(F)c1 ZINC001575106575 951905617 /nfs/dbraw/zinc/90/56/17/951905617.db2.gz SHVIRQNMINJHEE-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1ccc2c(c1)COC2 ZINC001575107070 951911584 /nfs/dbraw/zinc/91/15/84/951911584.db2.gz YEOIFDQHVVEEFB-LBPRGKRZSA-N 1 0 381.440 1.381 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575107133 951913919 /nfs/dbraw/zinc/91/39/19/951913919.db2.gz ZTOGZUVDXWSSQA-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107667 951921139 /nfs/dbraw/zinc/92/11/39/951921139.db2.gz HJLAAKZXDDSJPL-ZOCIIQOWSA-N 1 0 391.479 1.907 20 0 GDADRO C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108739 951926105 /nfs/dbraw/zinc/92/61/05/951926105.db2.gz NBICOWGDRZCZKG-ZDUSSCGKSA-N 1 0 379.468 1.839 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575109567 951931376 /nfs/dbraw/zinc/93/13/76/951931376.db2.gz SNJWWYYHFNZKMR-CYBMUJFWSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C(F)F)c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109787 951933901 /nfs/dbraw/zinc/93/39/01/951933901.db2.gz VLMWSMVLECZZOE-LLVKDONJSA-N 1 0 390.398 1.614 20 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C[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001575137046 952132906 /nfs/dbraw/zinc/13/29/06/952132906.db2.gz SIPLPQSUUMSCIO-ZDUSSCGKSA-N 1 0 387.463 1.893 20 0 GDADRO C[C@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001575137045 952133207 /nfs/dbraw/zinc/13/32/07/952133207.db2.gz SIPLPQSUUMSCIO-CYBMUJFWSA-N 1 0 387.463 1.893 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc(F)c(F)cc1F ZINC001575146442 952194570 /nfs/dbraw/zinc/19/45/70/952194570.db2.gz LCYWPMPVVOBMOI-SECBINFHSA-N 1 0 391.357 1.674 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575147124 952198742 /nfs/dbraw/zinc/19/87/42/952198742.db2.gz QRGBLEJMEPRHFG-GFCCVEGCSA-N 1 0 378.440 1.529 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCCc1cccnc1 ZINC001575147122 952199136 /nfs/dbraw/zinc/19/91/36/952199136.db2.gz QOHNESHEGINQCK-AWEZNQCLSA-N 1 0 380.456 1.360 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C 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JTIJLAAUNZCWAQ-WOPDTQHZSA-N 1 0 377.399 1.378 20 0 GDADRO CC(F)(F)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575210726 952540752 /nfs/dbraw/zinc/54/07/52/952540752.db2.gz HIDNCRHJEYDGKE-LLVKDONJSA-N 1 0 382.390 1.989 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124682 952542655 /nfs/dbraw/zinc/54/26/55/952542655.db2.gz RBZWMMSZRAHPNV-ZWNOBZJWSA-N 1 0 377.399 1.378 20 0 GDADRO O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC(F)(F)CC1 ZINC001571124690 952542966 /nfs/dbraw/zinc/54/29/66/952542966.db2.gz REXUAKPILMEYOO-TXEJJXNPSA-N 1 0 377.399 1.568 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccncc2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571126954 952547594 /nfs/dbraw/zinc/54/75/94/952547594.db2.gz APSFJSWJAIKMRV-KDOFPFPSSA-N 1 0 377.452 1.902 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571127089 952549974 /nfs/dbraw/zinc/54/99/74/952549974.db2.gz FUDVJGBLKGRKCX-RDTXWAMCSA-N 1 0 377.452 1.441 20 0 GDADRO CC(F)(F)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001575212312 952553309 /nfs/dbraw/zinc/55/33/09/952553309.db2.gz HDTJMCMTOVDERW-QEJZJMRPSA-N 1 0 376.411 1.991 20 0 GDADRO Cc1cccnc1C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571127607 952558400 /nfs/dbraw/zinc/55/84/00/952558400.db2.gz JSBBXKICRDLNRX-AWEZNQCLSA-N 1 0 377.452 1.820 20 0 GDADRO CC(F)(F)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001575214402 952563778 /nfs/dbraw/zinc/56/37/78/952563778.db2.gz YGJMMRZPPBXJQV-CFVMTHIKSA-N 1 0 376.411 1.991 20 0 GDADRO Cn1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)c1 ZINC001571128307 952566059 /nfs/dbraw/zinc/56/60/59/952566059.db2.gz QZBKBMUWSILSMO-NNZMDNLPSA-N 1 0 377.452 1.313 20 0 GDADRO Cc1cccnc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571128379 952566115 /nfs/dbraw/zinc/56/61/15/952566115.db2.gz RWMKHUWLTDBNSO-QGZVFWFLSA-N 1 0 377.452 1.965 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCN1C(=O)c1ccccn1 ZINC001571128857 952571001 /nfs/dbraw/zinc/57/10/01/952571001.db2.gz XEGRMJNXQVCUPP-QGZVFWFLSA-N 1 0 377.452 1.998 20 0 GDADRO Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@@H](C)C2)nn1 ZINC001571134255 952588795 /nfs/dbraw/zinc/58/87/95/952588795.db2.gz GOCCNJOMUMXVOI-SJCJKPOMSA-N 1 0 378.440 1.215 20 0 GDADRO Cc1cnccc1CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571134529 952591897 /nfs/dbraw/zinc/59/18/97/952591897.db2.gz KDGMFUGRKHLJQM-UHFFFAOYSA-N 1 0 378.440 1.033 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)ncn1 ZINC001571134591 952593040 /nfs/dbraw/zinc/59/30/40/952593040.db2.gz HMALPEXCZDCVRA-MRXNPFEDSA-N 1 0 378.440 1.360 20 0 GDADRO C[C@@H]1CN(C(=O)c2ncccn2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571134766 952595042 /nfs/dbraw/zinc/59/50/42/952595042.db2.gz LHYFYPMEITVNOF-CJNGLKHVSA-N 1 0 378.440 1.297 20 0 GDADRO Cc1cc[nH]c1C(=O)N[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001571134801 952595413 /nfs/dbraw/zinc/59/54/13/952595413.db2.gz MZRFQCZXWDPZQD-HUUCEWRRSA-N 1 0 378.440 1.473 20 0 GDADRO Cc1cc[nH]c1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001571134800 952595477 /nfs/dbraw/zinc/59/54/77/952595477.db2.gz MZRFQCZXWDPZQD-GJZGRUSLSA-N 1 0 378.440 1.473 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)c2ccncn2)C1 ZINC001571135604 952605972 /nfs/dbraw/zinc/60/59/72/952605972.db2.gz YPJCKPMWSSIRDD-CJNGLKHVSA-N 1 0 378.440 1.297 20 0 GDADRO O=C(c1ncccn1)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571140472 952625968 /nfs/dbraw/zinc/62/59/68/952625968.db2.gz ADVAOVMYYLCNDQ-MRXNPFEDSA-N 1 0 378.440 1.441 20 0 GDADRO Cc1nnccc1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571140496 952626514 /nfs/dbraw/zinc/62/65/14/952626514.db2.gz BHVXUOQKRNRRJM-INIZCTEOSA-N 1 0 378.440 1.360 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1n[nH]c2c1CCC2 ZINC001571140563 952627542 /nfs/dbraw/zinc/62/75/42/952627542.db2.gz CZGCMDCSNNAOAB-CQSZACIVSA-N 1 0 378.440 1.083 20 0 GDADRO C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC001571142421 952641986 /nfs/dbraw/zinc/64/19/86/952641986.db2.gz VDTVROXOOSWGNG-MLGOLLRUSA-N 1 0 379.424 1.218 20 0 GDADRO O=C(c1cnoc1C1CC1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571146977 952655400 /nfs/dbraw/zinc/65/54/00/952655400.db2.gz FHXXVSRFWDTUCT-HNNXBMFYSA-N 1 0 379.424 1.736 20 0 GDADRO O=C(c1ncoc1C1CC1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571146953 952655429 /nfs/dbraw/zinc/65/54/29/952655429.db2.gz DNMKXKBOBITXRA-CQSZACIVSA-N 1 0 379.424 1.736 20 0 GDADRO C[C@H]1CN(C(=O)c2cccn2C)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571151836 952679529 /nfs/dbraw/zinc/67/95/29/952679529.db2.gz YNVZQGRKSICWHK-HOCLYGCPSA-N 1 0 379.468 1.703 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C ZINC001571155317 952695532 /nfs/dbraw/zinc/69/55/32/952695532.db2.gz NQIHCCKSNNMOBC-GXFFZTMASA-N 1 0 380.399 1.467 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1(F)CCOCC1 ZINC001571165586 952753084 /nfs/dbraw/zinc/75/30/84/952753084.db2.gz GFHUEHKPTYDZOC-PHIMTYICSA-N 1 0 380.449 1.184 20 0 GDADRO CCc1nc[nH]c1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571166876 952766774 /nfs/dbraw/zinc/76/67/74/952766774.db2.gz QUICAVADOQPIOY-AWEZNQCLSA-N 1 0 380.456 1.404 20 0 GDADRO C[C@@H](NC(=O)c1cn[nH]c1)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571166998 952767747 /nfs/dbraw/zinc/76/77/47/952767747.db2.gz RZPOUMOIHAQFJC-ZIAGYGMSSA-N 1 0 380.456 1.620 20 0 GDADRO CCc1nc[nH]c1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571167159 952769952 /nfs/dbraw/zinc/76/99/52/952769952.db2.gz WVJNLENMRVNFBA-HNNXBMFYSA-N 1 0 380.456 1.547 20 0 GDADRO Cc1[nH]nc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1C ZINC001571169511 952774291 /nfs/dbraw/zinc/77/42/91/952774291.db2.gz FKXIBTPTALTAMP-FZNQNYSPSA-N 1 0 380.456 1.505 20 0 GDADRO Cc1nc(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C(C)(C)C2)c[nH]1 ZINC001571169540 952775146 /nfs/dbraw/zinc/77/51/46/952775146.db2.gz GIBWBCWOOKNNEI-MRXNPFEDSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169763 952778223 /nfs/dbraw/zinc/77/82/23/952778223.db2.gz MHTVSEWFCDFQIZ-AWEZNQCLSA-N 1 0 380.456 1.492 20 0 GDADRO Cc1cncn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169869 952779616 /nfs/dbraw/zinc/77/96/16/952779616.db2.gz PNXOBGLUHXDNAH-QGZVFWFLSA-N 1 0 380.456 1.152 20 0 GDADRO Cc1c(C(=O)N(C)C2CC([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cnn1C ZINC001571169861 952779787 /nfs/dbraw/zinc/77/97/87/952779787.db2.gz PJAZJGWDZJPNKK-UHFFFAOYSA-N 1 0 380.456 1.301 20 0 GDADRO CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571170162 952783956 /nfs/dbraw/zinc/78/39/56/952783956.db2.gz UHTRWROZOANSAP-MRXNPFEDSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)c1 ZINC001571170451 952785664 /nfs/dbraw/zinc/78/56/64/952785664.db2.gz UUTDPLAAJVGYMT-SHTZXODSSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1ncc(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571170560 952787248 /nfs/dbraw/zinc/78/72/48/952787248.db2.gz WMZULNDUSUAOGH-JKSUJKDBSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1ccncc1C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571170935 952790849 /nfs/dbraw/zinc/79/08/49/952790849.db2.gz ZWRVTMFLKLFOGC-AWEZNQCLSA-N 1 0 380.456 1.540 20 0 GDADRO Cc1ncccc1C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C ZINC001571172332 952805952 /nfs/dbraw/zinc/80/59/52/952805952.db2.gz SSFVHJFWDGEVDY-WBMJQRKESA-N 1 0 380.456 1.396 20 0 GDADRO Cn1cnc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571172598 952809023 /nfs/dbraw/zinc/80/90/23/952809023.db2.gz XZHGTTAPCPSZBV-HUUCEWRRSA-N 1 0 380.456 1.431 20 0 GDADRO Cc1ccccc1OCC[NH+]1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571179608 952854531 /nfs/dbraw/zinc/85/45/31/952854531.db2.gz GWBBMMCNBGWTRG-UHFFFAOYSA-N 1 0 381.440 1.244 20 0 GDADRO Cc1cc(CC(=O)N2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)no1 ZINC001571179612 952855238 /nfs/dbraw/zinc/85/52/38/952855238.db2.gz HHOVVOMWBPYFMC-UHFFFAOYSA-N 1 0 381.440 1.440 20 0 GDADRO Cc1cnoc1C(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571180428 952859278 /nfs/dbraw/zinc/85/92/78/952859278.db2.gz OKYCXTRFYYMQDC-LSDHHAIUSA-N 1 0 381.440 1.994 20 0 GDADRO Cc1nc(C)c(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC001571180955 952861241 /nfs/dbraw/zinc/86/12/41/952861241.db2.gz RTDCCJRVOFFCSJ-UHFFFAOYSA-N 1 0 381.440 1.866 20 0 GDADRO Cc1onc(CC(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1-c1nn[nH]n1 ZINC001571181382 952862762 /nfs/dbraw/zinc/86/27/62/952862762.db2.gz VRGTTYJGZIAXAK-UHFFFAOYSA-N 1 0 381.440 1.981 20 0 GDADRO Cc1nc(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c(C)o1 ZINC001571181843 952865567 /nfs/dbraw/zinc/86/55/67/952865567.db2.gz YWXCWTOTXYZUFD-UHFFFAOYSA-N 1 0 381.440 1.770 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CCc2ccoc2)C1 ZINC001571182648 952867168 /nfs/dbraw/zinc/86/71/68/952867168.db2.gz AISHNHJJXOQVOM-HIFRSBDPSA-N 1 0 381.440 1.558 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001571182767 952868410 /nfs/dbraw/zinc/86/84/10/952868410.db2.gz FAVJMCHYTJJNOW-MLGOLLRUSA-N 1 0 381.440 1.454 20 0 GDADRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc[nH]2)cc1-c1nn[nH]n1 ZINC001571182942 952870732 /nfs/dbraw/zinc/87/07/32/952870732.db2.gz KGTKIXMISZAHPT-AWEZNQCLSA-N 1 0 381.440 1.598 20 0 GDADRO CCc1ncoc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571182982 952871678 /nfs/dbraw/zinc/87/16/78/952871678.db2.gz LNGJIRPKBLYZNS-HNNXBMFYSA-N 1 0 381.440 1.764 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccncc1F ZINC001571183258 952875342 /nfs/dbraw/zinc/87/53/42/952875342.db2.gz USCQDUHUUUCJTB-HNNXBMFYSA-N 1 0 381.415 1.795 20 0 GDADRO COc1cccc(C[NH2+][C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571183370 952877621 /nfs/dbraw/zinc/87/76/21/952877621.db2.gz YUDJXLUEKVSFMS-AWEZNQCLSA-N 1 0 381.440 1.598 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1NC(=O)c1ccon1 ZINC001571183383 952878014 /nfs/dbraw/zinc/87/80/14/952878014.db2.gz ZAKLKXNLADBAQH-INIZCTEOSA-N 1 0 381.440 1.885 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001571183665 952881241 /nfs/dbraw/zinc/88/12/41/952881241.db2.gz HCCQSVGFADNQST-DOMZBBRYSA-N 1 0 381.444 1.015 20 0 GDADRO CCCn1nccc1C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001571183810 952883721 /nfs/dbraw/zinc/88/37/21/952883721.db2.gz JWHXCQNLQZLZSO-STQMWFEESA-N 1 0 381.444 1.005 20 0 GDADRO C[C@H]([NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1(C)C)c1cnccn1 ZINC001571184319 952891460 /nfs/dbraw/zinc/89/14/60/952891460.db2.gz WCLUIUNQNBVPRH-XHDPSFHLSA-N 1 0 381.444 1.186 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H](C)C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001571185710 952903090 /nfs/dbraw/zinc/90/30/90/952903090.db2.gz OTEHAOARMMISGK-LBPRGKRZSA-N 1 0 381.444 1.328 20 0 GDADRO CN(C[C@H]1CCCCN1C(=O)Cc1ncc[nH]1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571186579 952907716 /nfs/dbraw/zinc/90/77/16/952907716.db2.gz XMMSMZSIEQNKQX-CYBMUJFWSA-N 1 0 381.444 1.045 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)[nH]1 ZINC001571187777 952910132 /nfs/dbraw/zinc/91/01/32/952910132.db2.gz BVZYVDABCUHSIT-ZDUSSCGKSA-N 1 0 381.444 1.309 20 0 GDADRO Cc1cnn(C)c1C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571188833 952920552 /nfs/dbraw/zinc/92/05/52/952920552.db2.gz NMDUOGOSSUQFKN-ZDUSSCGKSA-N 1 0 381.444 1.011 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H](CN(C)c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571188836 952920927 /nfs/dbraw/zinc/92/09/27/952920927.db2.gz NOGQFLZWLHCUJK-ZDUSSCGKSA-N 1 0 381.444 1.200 20 0 GDADRO Cc1ncn(C)c1C(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571189262 952926707 /nfs/dbraw/zinc/92/67/07/952926707.db2.gz UGTPEPVOMIJTPT-GOSISDBHSA-N 1 0 381.444 1.011 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001571190259 952940921 /nfs/dbraw/zinc/94/09/21/952940921.db2.gz GCQXWFZSGXRQOA-UHFFFAOYSA-N 1 0 381.868 1.346 20 0 GDADRO C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001571191293 952945774 /nfs/dbraw/zinc/94/57/74/952945774.db2.gz PMUUYGMFYRTYIV-DMRZNYOFSA-N 1 0 381.484 1.886 20 0 GDADRO CCc1nc(C(=O)N2C[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)co1 ZINC001571199084 952996282 /nfs/dbraw/zinc/99/62/82/952996282.db2.gz LHXSXTKTXCGMLP-VXGBXAGGSA-N 1 0 382.428 1.054 20 0 GDADRO O=C(c1ccco1)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571200753 953011865 /nfs/dbraw/zinc/01/18/65/953011865.db2.gz LJQQYWAETAQAOH-INIZCTEOSA-N 1 0 382.424 1.481 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)no1 ZINC001571201355 953017618 /nfs/dbraw/zinc/01/76/18/953017618.db2.gz KOOYVRXFUYBVFX-YPMHNXCESA-N 1 0 382.428 1.190 20 0 GDADRO CC(C)c1cc(C(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001571202417 953025608 /nfs/dbraw/zinc/02/56/08/953025608.db2.gz WHXHHDQFQMRGDW-TXEJJXNPSA-N 1 0 382.428 1.416 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CN(C(=O)c2ccco2)CCO1 ZINC001571202526 953027027 /nfs/dbraw/zinc/02/70/27/953027027.db2.gz ZZVBHXCKKTXYHT-SUMWQHHRSA-N 1 0 382.424 1.479 20 0 GDADRO Cc1nocc1C[N@@H+]1CC[C@@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@H]12 ZINC001571205666 953040189 /nfs/dbraw/zinc/04/01/89/953040189.db2.gz KKMCNCZDIAWVTN-YJBOKZPZSA-N 1 0 382.428 1.418 20 0 GDADRO Cc1nocc1C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001571207178 953060107 /nfs/dbraw/zinc/06/01/07/953060107.db2.gz WRSCJAUTMMVGTA-BLLLJJGKSA-N 1 0 382.428 1.228 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210153 953070454 /nfs/dbraw/zinc/07/04/54/953070454.db2.gz MKXDSLNEOYRJAR-RDTXWAMCSA-N 1 0 382.468 1.683 20 0 GDADRO O=C([C@@H]1CC12CCOCC2)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571210199 953071226 /nfs/dbraw/zinc/07/12/26/953071226.db2.gz ODJOPEMITPNYAL-SJORKVTESA-N 1 0 382.468 1.374 20 0 GDADRO O=C(c1cnco1)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C2 ZINC001571217860 953111100 /nfs/dbraw/zinc/11/11/00/953111100.db2.gz QWMGAHDQGSYJKP-UHFFFAOYSA-N 1 0 383.387 1.342 20 0 GDADRO O=C(c1ccc(=O)[nH]c1)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571217887 953111955 /nfs/dbraw/zinc/11/19/55/953111955.db2.gz RIBIRUDQMMNLBP-AWEZNQCLSA-N 1 0 383.387 1.111 20 0 GDADRO COc1cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)on1 ZINC001571219715 953126766 /nfs/dbraw/zinc/12/67/66/953126766.db2.gz QRXBSYVZUQFIPT-FZMZJTMJSA-N 1 0 383.412 1.256 20 0 GDADRO COCc1ccc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571219957 953128267 /nfs/dbraw/zinc/12/82/67/953128267.db2.gz UZCCMUJPUDYWIU-GFCCVEGCSA-N 1 0 383.412 1.318 20 0 GDADRO CC1(C)C[N@H+](Cc2cccc(F)c2)C[C@@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571229799 953171962 /nfs/dbraw/zinc/17/19/62/953171962.db2.gz NZFYOPXZFUNUNX-INIZCTEOSA-N 1 0 383.431 1.974 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C[NH2+]Cc1ccccc1F ZINC001571230140 953174323 /nfs/dbraw/zinc/17/43/23/953174323.db2.gz SGJZWSWCIHFMFD-TZMCWYRMSA-N 1 0 383.431 1.832 20 0 GDADRO Cc1cc(N2C[C@@H]3CCCN(C(=O)[C@@H]4CCOC4)[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233121 953190593 /nfs/dbraw/zinc/19/05/93/953190593.db2.gz PAHXBTOMXIXZPF-JJRVBVJISA-N 1 0 383.456 1.034 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)Cc3cccs3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233931 953197539 /nfs/dbraw/zinc/19/75/39/953197539.db2.gz IGRMRABGXBVQEG-ZBEGNZNMSA-N 1 0 383.481 1.555 20 0 GDADRO CN(C(=O)Cc1cncs1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571234027 953198004 /nfs/dbraw/zinc/19/80/04/953198004.db2.gz KYLHNIIYXVYTFE-OAHLLOKOSA-N 1 0 383.481 1.599 20 0 GDADRO Cn1cccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001571234286 953200213 /nfs/dbraw/zinc/20/02/13/953200213.db2.gz SHVVLMYWVRPZPS-IUODEOHRSA-N 1 0 383.481 1.613 20 0 GDADRO O=C(Cc1cscn1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571234313 953200295 /nfs/dbraw/zinc/20/02/95/953200295.db2.gz UEGNDZUFMWWHFP-UHFFFAOYSA-N 1 0 383.481 1.647 20 0 GDADRO O=C(c1cncc(Cl)c1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235240 953210097 /nfs/dbraw/zinc/21/00/97/953210097.db2.gz YGYTWFICXFJZHH-OAHLLOKOSA-N 1 0 383.843 1.919 20 0 GDADRO Cc1nc[nH]c1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC001571238909 953233796 /nfs/dbraw/zinc/23/37/96/953233796.db2.gz BYOAVXCGTYKBSF-YGRLFVJLSA-N 1 0 384.419 1.430 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571239555 953240295 /nfs/dbraw/zinc/24/02/95/953240295.db2.gz MJEAXEKCYBLLFT-IAQYHMDHSA-N 1 0 384.419 1.288 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ncc[nH]1 ZINC001571241575 953247118 /nfs/dbraw/zinc/24/71/18/953247118.db2.gz DTRZAKPOYOHMLL-GFCCVEGCSA-N 1 0 384.419 1.371 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ncc[nH]1 ZINC001571241690 953248705 /nfs/dbraw/zinc/24/87/05/953248705.db2.gz IQMMYMXFFNMPQL-DZGCQCFKSA-N 1 0 384.419 1.417 20 0 GDADRO Cc1ncc(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571244614 953265196 /nfs/dbraw/zinc/26/51/96/953265196.db2.gz CGBXPACUMCGVFY-LBPRGKRZSA-N 1 0 384.469 1.474 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)Cc3cscn3)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571244659 953265765 /nfs/dbraw/zinc/26/57/65/953265765.db2.gz DCZGIAYUBAIXHN-SMDDNHRTSA-N 1 0 384.469 1.093 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)cnn1 ZINC001571244749 953266565 /nfs/dbraw/zinc/26/65/65/953266565.db2.gz HJYQDECHIRAMHA-FZMZJTMJSA-N 1 0 384.469 1.419 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2nccs2)CCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571244826 953267624 /nfs/dbraw/zinc/26/76/24/953267624.db2.gz JVFFTYKIZBAKSQ-QWHCGFSZSA-N 1 0 384.469 1.814 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245160 953270892 /nfs/dbraw/zinc/27/08/92/953270892.db2.gz DUHZAVGRNGFKQO-FZMZJTMJSA-N 1 0 384.469 1.493 20 0 GDADRO CCc1ncsc1C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571245300 953272079 /nfs/dbraw/zinc/27/20/79/953272079.db2.gz RLOMJHSQHGXGCN-LLVKDONJSA-N 1 0 384.469 1.537 20 0 GDADRO Cc1ncc(C(=O)NC2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)s1 ZINC001571245522 953274557 /nfs/dbraw/zinc/27/45/57/953274557.db2.gz UFTKGSBOZMPXMX-UHFFFAOYSA-N 1 0 384.469 1.734 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571245988 953279011 /nfs/dbraw/zinc/27/90/11/953279011.db2.gz QALUIJUVPHEDNS-KKBVYLPWSA-N 1 0 384.459 1.990 20 0 GDADRO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@@H]2C)o1 ZINC001571247583 953283859 /nfs/dbraw/zinc/28/38/59/953283859.db2.gz ARCPZZDAIXCWTG-SMDDNHRTSA-N 1 0 384.444 1.379 20 0 GDADRO O=C(N[C@@H]1C[C@H]([NH2+]Cc2cscn2)C12CCC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571247672 953284198 /nfs/dbraw/zinc/28/41/98/953284198.db2.gz BXNYMCPWRGIHLC-UONOGXRCSA-N 1 0 384.469 1.482 20 0 GDADRO C[C@H]1CN(C(=O)CC2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571247910 953286940 /nfs/dbraw/zinc/28/69/40/953286940.db2.gz IEIFGXXAIUEGMS-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO CO[C@@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571247956 953287956 /nfs/dbraw/zinc/28/79/56/953287956.db2.gz JJOUTYGYUKUFRA-ZWKOTPCHSA-N 1 0 384.484 1.762 20 0 GDADRO O=C(c1ncccn1)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571248106 953289953 /nfs/dbraw/zinc/28/99/53/953289953.db2.gz MAXPPPGEBCBICE-GFCCVEGCSA-N 1 0 384.469 1.503 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571248326 953292421 /nfs/dbraw/zinc/29/24/21/953292421.db2.gz QKCITCAMWAYHJM-ROUUACIJSA-N 1 0 384.484 1.887 20 0 GDADRO COC1CC(C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001571248470 953293306 /nfs/dbraw/zinc/29/33/06/953293306.db2.gz VABGFPDWMRCWGW-UHFFFAOYSA-N 1 0 384.484 1.762 20 0 GDADRO CO[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC001571248642 953296143 /nfs/dbraw/zinc/29/61/43/953296143.db2.gz WXGFQNDPYFZIRF-MSOLQXFVSA-N 1 0 384.484 1.762 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571248707 953296377 /nfs/dbraw/zinc/29/63/77/953296377.db2.gz YCEGGCDDLYLRHK-NXHRZFHOSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)(C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001571249020 953299431 /nfs/dbraw/zinc/29/94/31/953299431.db2.gz AYYUIYVPTRNFCE-OAHLLOKOSA-N 1 0 384.488 1.539 20 0 GDADRO CC(C)[C@H](C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571249131 953301205 /nfs/dbraw/zinc/30/12/05/953301205.db2.gz DPJSNYIRKGWNGL-GDBMZVCRSA-N 1 0 384.488 1.395 20 0 GDADRO O=C(C1CCCC1)N1CCCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571249698 953306704 /nfs/dbraw/zinc/30/67/04/953306704.db2.gz KMBJNJSVKHXPOG-SFHVURJKSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571249898 953308118 /nfs/dbraw/zinc/30/81/18/953308118.db2.gz MHTIBUMDBYRAMI-GDBMZVCRSA-N 1 0 384.488 1.397 20 0 GDADRO O=C([C@@H]1CCCCO1)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571250217 953309383 /nfs/dbraw/zinc/30/93/83/953309383.db2.gz OMHGHLHHHMGZJE-AEFFLSMTSA-N 1 0 384.484 1.907 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571250843 953313654 /nfs/dbraw/zinc/31/36/54/953313654.db2.gz UANFETWEEGCOKG-LSDHHAIUSA-N 1 0 384.488 1.254 20 0 GDADRO CC(C)[C@@](O)(C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)c1ccccc1 ZINC001571251417 953317183 /nfs/dbraw/zinc/31/71/83/953317183.db2.gz XJXZNWUGRGBKFP-IBGZPJMESA-N 1 0 384.488 1.580 20 0 GDADRO Cc1nc(N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)ccc1-c1nn[nH]n1 ZINC001571251956 953321319 /nfs/dbraw/zinc/32/13/19/953321319.db2.gz CNFNFXBQRBQJQR-AEGPPILISA-N 1 0 384.488 1.313 20 0 GDADRO Cc1nc(N[C@@H](C)[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)ccc1-c1nn[nH]n1 ZINC001571252513 953329387 /nfs/dbraw/zinc/32/93/87/953329387.db2.gz OBXOEEAHFXASRM-ZFWWWQNUSA-N 1 0 384.488 1.315 20 0 GDADRO Cc1nc(N[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571252573 953330022 /nfs/dbraw/zinc/33/00/22/953330022.db2.gz QGLRVYCTRQWQKS-CABCVRRESA-N 1 0 384.488 1.457 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](CNc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001571252625 953331175 /nfs/dbraw/zinc/33/11/75/953331175.db2.gz RWXMUHMYVJTCMI-ZFWWWQNUSA-N 1 0 384.488 1.300 20 0 GDADRO CN(c1ccncc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001571252691 953332143 /nfs/dbraw/zinc/33/21/43/953332143.db2.gz UCSXUHJPNJJWAD-LSDHHAIUSA-N 1 0 384.488 1.173 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)on1 ZINC001571253880 953334799 /nfs/dbraw/zinc/33/47/99/953334799.db2.gz AMJQIWOPFHCVHR-ZDUSSCGKSA-N 1 0 385.403 1.697 20 0 GDADRO O=C(Cc1ccon1)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571254118 953336245 /nfs/dbraw/zinc/33/62/45/953336245.db2.gz CVDCFIXVBRRVPS-CYBMUJFWSA-N 1 0 385.403 1.175 20 0 GDADRO Cc1cnoc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571255177 953345846 /nfs/dbraw/zinc/34/58/46/953345846.db2.gz MCGSHDQZYMSEGB-IAQYHMDHSA-N 1 0 385.403 1.553 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001571255169 953346044 /nfs/dbraw/zinc/34/60/44/953346044.db2.gz LXNADQMSAMFFIL-WCQYABFASA-N 1 0 385.403 1.634 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001603141890 972231993 /nfs/dbraw/zinc/23/19/93/972231993.db2.gz GHWOMHMKNSJYBN-SJORKVTESA-N 1 0 378.517 1.696 20 0 GDADRO COc1cc(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)ccc1OCC[NH+](C)C ZINC001594063535 958118989 /nfs/dbraw/zinc/11/89/89/958118989.db2.gz IQSUJYSZQJMLOH-UHFFFAOYSA-N 1 0 394.472 1.306 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001263629707 960875941 /nfs/dbraw/zinc/87/59/41/960875941.db2.gz LVIJOQWWYSBWOO-NRFANRHFSA-N 1 0 399.495 1.294 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000874416885 969394924 /nfs/dbraw/zinc/39/49/24/969394924.db2.gz ANTARPAYFRSYPM-DLBZAZTESA-N 1 0 388.512 1.840 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000911318282 969635444 /nfs/dbraw/zinc/63/54/44/969635444.db2.gz FIBMQLGTTJSISP-QGZVFWFLSA-N 1 0 377.485 1.638 20 0 GDADRO C[NH+]1CCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)(c2ccccc2)CC1 ZINC001343135263 969759086 /nfs/dbraw/zinc/75/90/86/969759086.db2.gz XQBLUAXNPCRVBI-UHFFFAOYSA-N 1 0 388.512 1.498 20 0 GDADRO CC(C)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001592267198 977511770 /nfs/dbraw/zinc/51/17/70/977511770.db2.gz ASGHUZXBQOWAMQ-LPHOPBHVSA-N 1 0 390.528 1.964 20 0 GDADRO C[C@H](CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC001592659900 978642681 /nfs/dbraw/zinc/64/26/81/978642681.db2.gz IZEMIKOWNOQUNN-IAGOWNOFSA-N 1 0 388.512 1.624 20 0 GDADRO C[C@]([NH3+])(C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)c1ccccc1 ZINC001592952204 980045581 /nfs/dbraw/zinc/04/55/81/980045581.db2.gz RPDVDOJZPCXMEU-OAQYLSRUSA-N 1 0 382.464 1.706 20 0 GDADRO CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001595915446 983014152 /nfs/dbraw/zinc/01/41/52/983014152.db2.gz NMMHMZJBMCJVIX-SFHVURJKSA-N 1 0 398.511 1.955 20 0 GDADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)cc1 ZINC001596273034 983692020 /nfs/dbraw/zinc/69/20/20/983692020.db2.gz MPMRLZGQVGSFGW-KRWDZBQOSA-N 1 0 377.485 1.496 20 0 GDADRO C[C@H](C(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001589360217 986366737 /nfs/dbraw/zinc/36/67/37/986366737.db2.gz JHOODFCBLGNWBI-XLIONFOSSA-N 1 0 387.524 1.804 20 0 GDADRO C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001589414286 986628517 /nfs/dbraw/zinc/62/85/17/986628517.db2.gz DWQJMJCKJIZUPT-VHSSKADRSA-N 1 0 375.469 1.218 20 0 GDADRO CN(C(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1C(=O)[O-] ZINC001598022520 990215872 /nfs/dbraw/zinc/21/58/72/990215872.db2.gz HPFLFOJNBUOYDL-MRXNPFEDSA-N 1 0 375.469 1.438 20 0 GDADRO Cn1c2nnc(C[NH2+]C3(CO)Cc4ccccc4C3)n2c2ccccc2c1=O ZINC000363408846 1126079764 /nfs/dbraw/zinc/07/97/64/1126079764.db2.gz VYGXKVMEJCGZTQ-UHFFFAOYSA-N 1 0 375.432 1.201 20 0 GDADRO COC(=O)c1cc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)cn1C ZINC000873193076 1126120847 /nfs/dbraw/zinc/12/08/47/1126120847.db2.gz NDLURJVHCZQPNQ-FQEVSTJZSA-N 1 0 376.453 1.912 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2c(C)nn(CCO)c2C)cc1OC ZINC001352862655 1126183672 /nfs/dbraw/zinc/18/36/72/1126183672.db2.gz LMWVLWRXAYRAOG-HXUWFJFHSA-N 1 0 377.485 1.593 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)s1 ZINC000158689019 530534954 /nfs/dbraw/zinc/53/49/54/530534954.db2.gz LIHJREGIRRAAHB-AWEZNQCLSA-N 1 0 386.543 1.118 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1sccc1Br ZINC000158906260 530537093 /nfs/dbraw/zinc/53/70/93/530537093.db2.gz UOJWZHAIUHBQIB-SNVBAGLBSA-N 1 0 383.333 1.636 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1cc(F)ccc1Br ZINC000158985670 530538393 /nfs/dbraw/zinc/53/83/93/530538393.db2.gz BWQQCFRTYMAXRH-UHFFFAOYSA-N 1 0 395.294 1.713 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158986749 530538460 /nfs/dbraw/zinc/53/84/60/530538460.db2.gz PSELVHGHBRIXOA-MEBBXXQBSA-N 1 0 386.315 1.841 20 0 GDADRO C[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc(Cl)c2O1 ZINC000158981697 530538680 /nfs/dbraw/zinc/53/86/80/530538680.db2.gz GTMXXIIOWCZDGE-TZMCWYRMSA-N 1 0 388.917 1.789 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)s1 ZINC000159180333 530540952 /nfs/dbraw/zinc/54/09/52/530540952.db2.gz AXTGMNSWZRHWKV-WCQYABFASA-N 1 0 386.543 1.259 20 0 GDADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)C1CC1 ZINC000159199030 530541143 /nfs/dbraw/zinc/54/11/43/530541143.db2.gz AWFFXHIWJJSPQS-HUUCEWRRSA-N 1 0 380.286 1.907 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000161528724 530561520 /nfs/dbraw/zinc/56/15/20/530561520.db2.gz OSUQZBXUUPSHPW-INIZCTEOSA-N 1 0 381.274 1.677 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[NH+]2CCC(O)CC2)c1 ZINC000015306950 530561785 /nfs/dbraw/zinc/56/17/85/530561785.db2.gz SEZVDHZGLCBCSC-UHFFFAOYSA-N 1 0 389.905 1.376 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2sccc2Br)CC1 ZINC000161638686 530562331 /nfs/dbraw/zinc/56/23/31/530562331.db2.gz MTQMJYIMAHSWED-LLVKDONJSA-N 1 0 397.360 1.882 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000161671481 530563062 /nfs/dbraw/zinc/56/30/62/530563062.db2.gz DTEQRQZQNFMTBE-NSHDSACASA-N 1 0 397.360 1.882 20 0 GDADRO CCCN(C(=O)CSCc1cc(=O)n2ccsc2n1)C1CC[NH2+]CC1 ZINC000163302571 530574847 /nfs/dbraw/zinc/57/48/47/530574847.db2.gz PBIDVGBIDJHSSX-UHFFFAOYSA-N 1 0 380.539 1.980 20 0 GDADRO CN1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1=O ZINC000163840095 530577768 /nfs/dbraw/zinc/57/77/68/530577768.db2.gz OXKJFQUIQVMSKX-HNNXBMFYSA-N 1 0 397.317 1.753 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000171044523 530593008 /nfs/dbraw/zinc/59/30/08/530593008.db2.gz RIZIEOQDXFHKBQ-HNNXBMFYSA-N 1 0 385.555 1.893 20 0 GDADRO CC(C)NS(=O)(=O)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000171169140 530595076 /nfs/dbraw/zinc/59/50/76/530595076.db2.gz TXHZOFVYMLTUSY-GJZGRUSLSA-N 1 0 376.567 1.370 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cc(C)ccc1I ZINC000171127548 530595226 /nfs/dbraw/zinc/59/52/26/530595226.db2.gz AKRLKEUSXBQFSN-UHFFFAOYSA-N 1 0 376.238 1.908 20 0 GDADRO O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171454278 530599627 /nfs/dbraw/zinc/59/96/27/530599627.db2.gz CYIQGXNFRRBQMH-LSDHHAIUSA-N 1 0 383.539 1.598 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2C)CC1 ZINC000170705582 530588121 /nfs/dbraw/zinc/58/81/21/530588121.db2.gz BKFGHRMRXVTVME-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2COCCO2)CC1 ZINC000041776611 530624035 /nfs/dbraw/zinc/62/40/35/530624035.db2.gz AOGWRMZPHIMUEG-HNNXBMFYSA-N 1 0 384.274 1.555 20 0 GDADRO O=C(C(=O)N1CCc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173221862 530626145 /nfs/dbraw/zinc/62/61/45/530626145.db2.gz XTPFJKXWYMUHES-OAHLLOKOSA-N 1 0 390.281 1.811 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@@H](C)[NH+]2CCCC2)s1 ZINC000042507194 530629398 /nfs/dbraw/zinc/62/93/98/530629398.db2.gz MCENRABZDJDZFQ-HIFRSBDPSA-N 1 0 385.555 1.810 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc(OC)ccc2Cl)CC1 ZINC000173459171 530630747 /nfs/dbraw/zinc/63/07/47/530630747.db2.gz PDHXJZTWRNMCRB-CQSZACIVSA-N 1 0 389.949 1.901 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1sccc1Br)CN1CC[NH+](C)CC1 ZINC000173454964 530630910 /nfs/dbraw/zinc/63/09/10/530630910.db2.gz YNVUVXGHEKOGOP-NSHDSACASA-N 1 0 396.376 1.672 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000173666855 530634430 /nfs/dbraw/zinc/63/44/30/530634430.db2.gz WQCDJFOMFMVVLD-INIZCTEOSA-N 1 0 388.555 1.726 20 0 GDADRO COCCOC[C@@H]1CCN(Cc2nnnn2-c2ccccc2Br)C1 ZINC000174116694 530644025 /nfs/dbraw/zinc/64/40/25/530644025.db2.gz AGPHKCDEPWGGBH-CYBMUJFWSA-N 1 0 396.289 1.910 20 0 GDADRO Cc1ccc(O[C@@H](C)C(=O)NCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000044396750 530639049 /nfs/dbraw/zinc/63/90/49/530639049.db2.gz XYRNFHMGBWGQEK-AWEZNQCLSA-N 1 0 384.318 1.888 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000174165110 530644916 /nfs/dbraw/zinc/64/49/16/530644916.db2.gz HLZUMVVMRFUEBG-LBPRGKRZSA-N 1 0 393.962 1.965 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000174394329 530646783 /nfs/dbraw/zinc/64/67/83/530646783.db2.gz AOVILVDLEAAEKB-ZDUSSCGKSA-N 1 0 398.301 1.484 20 0 GDADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000176391786 530682623 /nfs/dbraw/zinc/68/26/23/530682623.db2.gz YZGLPKYLQITERB-JTQLQIEISA-N 1 0 389.237 1.544 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NCCOc2cccc(Br)c2)CC1=O ZINC000174730486 530652825 /nfs/dbraw/zinc/65/28/25/530652825.db2.gz OYBLQRIBBNCMOG-CYBMUJFWSA-N 1 0 398.301 1.354 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC[NH+]2CCCCC2)s1 ZINC000046853480 530654159 /nfs/dbraw/zinc/65/41/59/530654159.db2.gz KAOPITUYWQSMLG-HNNXBMFYSA-N 1 0 385.555 1.812 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)COc2cccc(Br)c2)CC1 ZINC000046947246 530655000 /nfs/dbraw/zinc/65/50/00/530655000.db2.gz ODUUZQBURZWPJU-AWEZNQCLSA-N 1 0 384.318 1.970 20 0 GDADRO COCCCS(=O)(=O)NCCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000175141307 530659394 /nfs/dbraw/zinc/65/93/94/530659394.db2.gz ZAXWRAMZVOVXRB-GOSISDBHSA-N 1 0 375.579 1.386 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000048066506 530665727 /nfs/dbraw/zinc/66/57/27/530665727.db2.gz DVMYOEZIOJAIAF-UHFFFAOYSA-N 1 0 376.567 1.612 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCc1cccc(S(N)(=O)=O)c1)c1ccsc1 ZINC000049195731 530672462 /nfs/dbraw/zinc/67/24/62/530672462.db2.gz JPYXEHOHLJZRLL-OAHLLOKOSA-N 1 0 382.511 1.498 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000175909131 530672655 /nfs/dbraw/zinc/67/26/55/530672655.db2.gz OEQOUNONUMJDQI-AWEZNQCLSA-N 1 0 387.933 1.827 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]CCOc2cccc(Br)c2)CC1 ZINC000049596014 530673805 /nfs/dbraw/zinc/67/38/05/530673805.db2.gz WSEMYPQTGJKAMQ-UHFFFAOYSA-N 1 0 377.304 1.842 20 0 GDADRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1S(N)(=O)=O ZINC000176257476 530679971 /nfs/dbraw/zinc/67/99/71/530679971.db2.gz ULYPBVMWLLWEOX-UHFFFAOYSA-N 1 0 381.523 1.908 20 0 GDADRO O=S(=O)(C[C@@H]1CCCO1)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000178396572 530720139 /nfs/dbraw/zinc/72/01/39/530720139.db2.gz CEIXWNJUMGMRGY-KRWDZBQOSA-N 1 0 387.933 1.560 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000176632032 530688044 /nfs/dbraw/zinc/68/80/44/530688044.db2.gz IRZCMZJKTISGHK-ZFWWWQNUSA-N 1 0 387.933 1.807 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cc(Cl)c(Cl)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000176682792 530688506 /nfs/dbraw/zinc/68/85/06/530688506.db2.gz FCOUENJFNXCYFV-SNVBAGLBSA-N 1 0 382.313 1.903 20 0 GDADRO CC(C)(CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[NH+]1CCCCC1 ZINC000053267646 530691487 /nfs/dbraw/zinc/69/14/87/530691487.db2.gz BYDXJVPGXNYAMM-UHFFFAOYSA-N 1 0 387.571 1.834 20 0 GDADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000053305156 530691544 /nfs/dbraw/zinc/69/15/44/530691544.db2.gz KIGBXEZUDCASJX-CQSZACIVSA-N 1 0 384.318 1.922 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000176915068 530693662 /nfs/dbraw/zinc/69/36/62/530693662.db2.gz VHSYEBITKPNVDL-CYBMUJFWSA-N 1 0 378.441 1.770 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000176919013 530693781 /nfs/dbraw/zinc/69/37/81/530693781.db2.gz UTFPEEDOORQMBB-UHFFFAOYSA-N 1 0 385.921 1.292 20 0 GDADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)NCC[NH+]1CCCC1 ZINC000055292902 530707418 /nfs/dbraw/zinc/70/74/18/530707418.db2.gz BGGIUGNULJTUQS-UHFFFAOYSA-N 1 0 393.285 1.761 20 0 GDADRO C[NH+]1CCN(c2cc(CNS(=O)(=O)c3ccccc3Cl)ccn2)CC1 ZINC000056070292 530714889 /nfs/dbraw/zinc/71/48/89/530714889.db2.gz XBWVUYWWIJMZDJ-UHFFFAOYSA-N 1 0 380.901 1.965 20 0 GDADRO O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N1CCC[NH2+]CC1 ZINC000178360557 530719358 /nfs/dbraw/zinc/71/93/58/530719358.db2.gz OPWNUJMTAUEPKN-UHFFFAOYSA-N 1 0 389.315 1.825 20 0 GDADRO O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000178396768 530720068 /nfs/dbraw/zinc/72/00/68/530720068.db2.gz LVTUKKUUSXODTQ-CYBMUJFWSA-N 1 0 389.315 1.871 20 0 GDADRO C[NH2+]C1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000179139577 530736613 /nfs/dbraw/zinc/73/66/13/530736613.db2.gz IPAOCSONZMGHHT-UHFFFAOYSA-N 1 0 380.242 1.256 20 0 GDADRO CC[NH+](CC)CCNC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000060775171 530737681 /nfs/dbraw/zinc/73/76/81/530737681.db2.gz OGTRHDMUCJGUGX-LLVKDONJSA-N 1 0 396.285 1.892 20 0 GDADRO CCC[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000061031484 530738827 /nfs/dbraw/zinc/73/88/27/530738827.db2.gz OOBHXDPFHGFSAK-UHFFFAOYSA-N 1 0 387.933 1.999 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCC[NH+]1CCCC1 ZINC000061548082 530741037 /nfs/dbraw/zinc/74/10/37/530741037.db2.gz HXDSTZIHXXBHCU-UHFFFAOYSA-N 1 0 375.441 1.235 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000179471979 530742022 /nfs/dbraw/zinc/74/20/22/530742022.db2.gz FHHNCVHZZDXOTQ-AWEZNQCLSA-N 1 0 399.289 1.256 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000056947146 530721760 /nfs/dbraw/zinc/72/17/60/530721760.db2.gz QJZGQWHHWRJADJ-OWCLPIDISA-N 1 0 376.567 1.324 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000058276261 530731709 /nfs/dbraw/zinc/73/17/09/530731709.db2.gz MQJZDPFNHVNZEX-GFCCVEGCSA-N 1 0 393.962 1.870 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000179802752 530749729 /nfs/dbraw/zinc/74/97/29/530749729.db2.gz ORJZIBPLLPJVMK-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000179809568 530750303 /nfs/dbraw/zinc/75/03/03/530750303.db2.gz RMNVGDKGWQMLAH-LBPRGKRZSA-N 1 0 399.289 1.029 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)n(C)c1 ZINC000179949533 530753495 /nfs/dbraw/zinc/75/34/95/530753495.db2.gz IBCZODSIZUZVBE-AWEZNQCLSA-N 1 0 384.527 1.370 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)c1nc2ncc(Br)cn2n1)c1ccsc1 ZINC000065636450 530755322 /nfs/dbraw/zinc/75/53/22/530755322.db2.gz OQBJHDYEHFIXMM-LLVKDONJSA-N 1 0 395.286 1.981 20 0 GDADRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180058667 530756464 /nfs/dbraw/zinc/75/64/64/530756464.db2.gz HHHRQMOSURMUTJ-CQSZACIVSA-N 1 0 382.507 1.849 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000066149921 530759399 /nfs/dbraw/zinc/75/93/99/530759399.db2.gz DHQILAVFBCETHC-CQSZACIVSA-N 1 0 387.571 1.922 20 0 GDADRO CN(C)c1nc2sc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)cc2s1 ZINC000063723408 530746263 /nfs/dbraw/zinc/74/62/63/530746263.db2.gz XOWQRGHTPXAOCA-UHFFFAOYSA-N 1 0 381.527 1.270 20 0 GDADRO CCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000063762004 530747170 /nfs/dbraw/zinc/74/71/70/530747170.db2.gz YFJXBVLMYXZUHA-UHFFFAOYSA-N 1 0 379.935 1.576 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000063854639 530747925 /nfs/dbraw/zinc/74/79/25/530747925.db2.gz VNFLVDIWCTYJST-UHFFFAOYSA-N 1 0 381.523 1.956 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000179762722 530749384 /nfs/dbraw/zinc/74/93/84/530749384.db2.gz KICBVSCDNUWLPO-UHFFFAOYSA-N 1 0 391.253 1.538 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000064348200 530749433 /nfs/dbraw/zinc/74/94/33/530749433.db2.gz SWSDSRRZIFPOOD-LSDHHAIUSA-N 1 0 396.285 1.158 20 0 GDADRO C[N@H+](CCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C1CC1 ZINC000066924496 530769901 /nfs/dbraw/zinc/76/99/01/530769901.db2.gz SQNRUNHZNIBZIN-UHFFFAOYSA-N 1 0 394.269 1.646 20 0 GDADRO CC(C)C[C@H](CNc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)[NH+](C)C ZINC000067095328 530772610 /nfs/dbraw/zinc/77/26/10/530772610.db2.gz NOMAEIGPMPUWTA-GFCCVEGCSA-N 1 0 377.532 1.126 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000067247833 530774661 /nfs/dbraw/zinc/77/46/61/530774661.db2.gz MMTMRDXMVMCNHT-ZDUSSCGKSA-N 1 0 382.507 1.849 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[N@@H+](C)C3CC3)C2)s1 ZINC000067866126 530780493 /nfs/dbraw/zinc/78/04/93/530780493.db2.gz PROJISOEYWAWNK-CQSZACIVSA-N 1 0 385.555 1.668 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccnc2Br)C[C@H](C)O1 ZINC000181432049 530782999 /nfs/dbraw/zinc/78/29/99/530782999.db2.gz ISIBLAQPBPHMBE-RYUDHWBXSA-N 1 0 399.289 1.398 20 0 GDADRO CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000066648826 530765254 /nfs/dbraw/zinc/76/52/54/530765254.db2.gz RNHAZMSFQSZADB-MRXNPFEDSA-N 1 0 379.551 1.839 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000066664875 530765529 /nfs/dbraw/zinc/76/55/29/530765529.db2.gz QRWZHMAXOAGPLL-CABCVRRESA-N 1 0 376.906 1.231 20 0 GDADRO CCCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000066861771 530767877 /nfs/dbraw/zinc/76/78/77/530767877.db2.gz GBZXWBIWSUMPEF-UHFFFAOYSA-N 1 0 393.962 1.966 20 0 GDADRO CC(C)(CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)NS(C)(=O)=O ZINC000069385437 530797259 /nfs/dbraw/zinc/79/72/59/530797259.db2.gz BFBWKKMMAOWAGL-CYBMUJFWSA-N 1 0 388.559 1.512 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)o1 ZINC000069789083 530799741 /nfs/dbraw/zinc/79/97/41/530799741.db2.gz JRPRFIDDHTWOBC-UHFFFAOYSA-N 1 0 387.527 1.409 20 0 GDADRO 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CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(S(=O)(=O)NC)s1 ZINC000113407217 530889960 /nfs/dbraw/zinc/88/99/60/530889960.db2.gz FYDZMJNWZASFOF-ZDUSSCGKSA-N 1 0 388.559 1.720 20 0 GDADRO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000188408165 530893433 /nfs/dbraw/zinc/89/34/33/530893433.db2.gz BCYYPCMNZKVTDV-SNVBAGLBSA-N 1 0 380.297 1.482 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)[C@@H]1CO ZINC000190365097 530929075 /nfs/dbraw/zinc/92/90/75/530929075.db2.gz DHPCKQPBTLXBKD-BXUZGUMPSA-N 1 0 384.274 1.207 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000119641823 530929156 /nfs/dbraw/zinc/92/91/56/530929156.db2.gz CGZWERIXKGQPPD-AWEZNQCLSA-N 1 0 382.507 1.986 20 0 GDADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000119851164 530932006 /nfs/dbraw/zinc/93/20/06/530932006.db2.gz JWLRUMRRWDSSCF-LBPRGKRZSA-N 1 0 382.233 1.999 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c1cccnc1)c1cccs1 ZINC000119852176 530932349 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CC[N@H+](C)CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000472114633 531218809 /nfs/dbraw/zinc/21/88/09/531218809.db2.gz GNJMMGYYNLISAP-UHFFFAOYSA-N 1 0 389.543 1.091 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CCSC1 ZINC000290316815 531223470 /nfs/dbraw/zinc/22/34/70/531223470.db2.gz HSCNOXVSLYIFIM-OAHLLOKOSA-N 1 0 391.946 1.172 20 0 GDADRO O=C(c1cnn2cc(Br)cnc12)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290422582 531230801 /nfs/dbraw/zinc/23/08/01/531230801.db2.gz NEFNLOIWYBIKLJ-LBPRGKRZSA-N 1 0 378.274 1.954 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000265171854 531232645 /nfs/dbraw/zinc/23/26/45/531232645.db2.gz DYVRDKGXBTZQCY-YPMHNXCESA-N 1 0 397.324 1.734 20 0 GDADRO CN1C(=O)C[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000520694843 531233871 /nfs/dbraw/zinc/23/38/71/531233871.db2.gz XLCPKYDWLPMXNM-ZBFHGGJFSA-N 1 0 386.901 1.141 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000265376784 531247727 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C[NH+](C)CC[C@@](C)(O)CNC(=O)COc1ccc(Br)cc1F ZINC000473265557 531251189 /nfs/dbraw/zinc/25/11/89/531251189.db2.gz XBFSQVDJTUFBMS-OAHLLOKOSA-N 1 0 377.254 1.786 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C2(C)CC2)cc[nH+]1 ZINC000349494566 531251456 /nfs/dbraw/zinc/25/14/56/531251456.db2.gz LAWAMHVZWIAXNO-AWEZNQCLSA-N 1 0 389.543 1.394 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cccc(I)c1 ZINC000473275150 531252111 /nfs/dbraw/zinc/25/21/11/531252111.db2.gz FWMYVMNVLQDTKG-CQSZACIVSA-N 1 0 376.238 1.724 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000521319578 531243083 /nfs/dbraw/zinc/24/30/83/531243083.db2.gz BNPDYHKHFXQAED-INIZCTEOSA-N 1 0 388.603 1.298 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000521319579 531243332 /nfs/dbraw/zinc/24/33/32/531243332.db2.gz BNPDYHKHFXQAED-MRXNPFEDSA-N 1 0 388.603 1.298 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000276985151 531245501 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1.140 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000473865308 531262440 /nfs/dbraw/zinc/26/24/40/531262440.db2.gz QKLCXDUFLPMHLC-GUYCJALGSA-N 1 0 387.311 1.938 20 0 GDADRO COCCN(CCOC)S(=O)(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435631176 531265704 /nfs/dbraw/zinc/26/57/04/531265704.db2.gz ANKRDBWRHVWXAG-QGZVFWFLSA-N 1 0 377.551 1.213 20 0 GDADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)CS(=O)(=O)C1CCCC1 ZINC000435599194 531264167 /nfs/dbraw/zinc/26/41/67/531264167.db2.gz VEAYEUSTGBRXNB-CQSZACIVSA-N 1 0 385.555 1.747 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000474176788 531270774 /nfs/dbraw/zinc/27/07/74/531270774.db2.gz JXRIDCORSAQYGP-NXEZZACHSA-N 1 0 380.388 1.863 20 0 GDADRO C[NH2+]CCCN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000435884994 531271017 /nfs/dbraw/zinc/27/10/17/531271017.db2.gz ZJJDRBSNWOEOQB-UHFFFAOYSA-N 1 0 382.349 1.426 20 0 GDADRO C[NH2+]CCCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000435878945 531271816 /nfs/dbraw/zinc/27/18/16/531271816.db2.gz HQFWFZHWYJBKKR-UHFFFAOYSA-N 1 0 376.320 1.365 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474322803 531273442 /nfs/dbraw/zinc/27/34/42/531273442.db2.gz RPERLENRBGRUTM-WFASDCNBSA-N 1 0 389.327 1.962 20 0 GDADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cnc2c(Br)cccn12 ZINC000436497065 531281375 /nfs/dbraw/zinc/28/13/75/531281375.db2.gz KHZGIOKCBMLESV-UHFFFAOYSA-N 1 0 382.262 1.941 20 0 GDADRO CC[NH+]1CCN(CC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000474732588 531281858 /nfs/dbraw/zinc/28/18/58/531281858.db2.gz VQNNVERAGZUNKC-ZDUSSCGKSA-N 1 0 390.311 1.487 20 0 GDADRO CSCCN(C)C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000474932617 531285319 /nfs/dbraw/zinc/28/53/19/531285319.db2.gz VOGIOCZAGJARQG-UHFFFAOYSA-N 1 0 387.571 1.660 20 0 GDADRO Cc1nc(NC(=O)C[NH2+]C[C@H]2CCCO2)ccc1I ZINC000291116657 531276646 /nfs/dbraw/zinc/27/66/46/531276646.db2.gz UFZAJMRJPPTSKW-SNVBAGLBSA-N 1 0 375.210 1.702 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000525446051 531293923 /nfs/dbraw/zinc/29/39/23/531293923.db2.gz XBFWPSGAVWJSMJ-UHFFFAOYSA-N 1 0 386.290 1.584 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000525962281 531301339 /nfs/dbraw/zinc/30/13/39/531301339.db2.gz MIKVHLRCTKHLFR-HUUCEWRRSA-N 1 0 388.921 1.405 20 0 GDADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277706815 531304462 /nfs/dbraw/zinc/30/44/62/531304462.db2.gz IKVLAOVKNZNTSY-JOYOIKCWSA-N 1 0 379.766 1.479 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000526067438 531305055 /nfs/dbraw/zinc/30/50/55/531305055.db2.gz CZYHJTZGMXXQII-UHFFFAOYSA-N 1 0 377.457 1.433 20 0 GDADRO C[C@H]1COCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000277636302 531298902 /nfs/dbraw/zinc/29/89/02/531298902.db2.gz ZEPWGWYXEDCBMF-WCQYABFASA-N 1 0 384.274 1.518 20 0 GDADRO COCC[NH+]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438827065 531310193 /nfs/dbraw/zinc/31/01/93/531310193.db2.gz BEEWEAUBWDDVEW-HNNXBMFYSA-N 1 0 391.281 1.592 20 0 GDADRO CSc1cc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)ccc1Cl ZINC000411247732 531310582 /nfs/dbraw/zinc/31/05/82/531310582.db2.gz VXRJBVRSRIOIOJ-UHFFFAOYSA-N 1 0 385.917 1.963 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H](C)C2CCC2)cc[nH+]1 ZINC000349546399 531316602 /nfs/dbraw/zinc/31/66/02/531316602.db2.gz SSNHZESRUGJETC-CYBMUJFWSA-N 1 0 375.516 1.052 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)NCc1cc(F)cc(Br)c1)C1CC1 ZINC000476836028 531320170 /nfs/dbraw/zinc/32/01/70/531320170.db2.gz UKJVYCVYRVJOGF-UHFFFAOYSA-N 1 0 386.265 1.805 20 0 GDADRO CCC(CC)(CNS(=O)(=O)CCS(C)(=O)=O)[NH2+][C@H](C)c1ccccc1 ZINC000266176174 531320364 /nfs/dbraw/zinc/32/03/64/531320364.db2.gz OFIKRPXWQWDEOG-OAHLLOKOSA-N 1 0 390.571 1.860 20 0 GDADRO NS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000411408577 531320431 /nfs/dbraw/zinc/32/04/31/531320431.db2.gz PYWKWAKXRALUKL-SNVBAGLBSA-N 1 0 376.276 1.141 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)c1 ZINC000439343113 531321645 /nfs/dbraw/zinc/32/16/45/531321645.db2.gz CFRNIYJKCWKVKQ-LLVKDONJSA-N 1 0 384.274 1.949 20 0 GDADRO NS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000411450049 531323870 /nfs/dbraw/zinc/32/38/70/531323870.db2.gz UBAKJNNKUZKFCJ-NSHDSACASA-N 1 0 379.404 1.787 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000440408002 531337310 /nfs/dbraw/zinc/33/73/10/531337310.db2.gz PSASYRQZJPDWJL-GXSJLCMTSA-N 1 0 393.303 1.824 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000349564814 531337580 /nfs/dbraw/zinc/33/75/80/531337580.db2.gz IBWFYCDTVIPECA-DZGCQCFKSA-N 1 0 389.543 1.442 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)CC[C@@H]1[NH3+] ZINC000440417629 531337658 /nfs/dbraw/zinc/33/76/58/531337658.db2.gz YYDPKLXTYQTENW-KOLCDFICSA-N 1 0 391.287 1.578 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527617562 531333913 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GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1F ZINC000447254326 531424040 /nfs/dbraw/zinc/42/40/40/531424040.db2.gz AXSUJOYHKPIQCQ-VXGBXAGGSA-N 1 0 393.506 1.334 20 0 GDADRO COc1cc(C(=O)NCCCC[NH+]2CCC(C)CC2)sc1S(N)(=O)=O ZINC000447432703 531428438 /nfs/dbraw/zinc/42/84/38/531428438.db2.gz WBKRZJKXVLSHHU-UHFFFAOYSA-N 1 0 389.543 1.646 20 0 GDADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)NCC[NH+]1CCC1 ZINC000533107735 531428523 /nfs/dbraw/zinc/42/85/23/531428523.db2.gz IVFXVBSXKWKQLC-UHFFFAOYSA-N 1 0 379.258 1.371 20 0 GDADRO CCOC(=O)C[C@H](NC(=O)C[C@H](C[NH3+])OC)c1ccc(Br)cc1 ZINC000447440824 531428482 /nfs/dbraw/zinc/42/84/82/531428482.db2.gz NENPQZNKAWJFMI-KGLIPLIRSA-N 1 0 387.274 1.923 20 0 GDADRO Cc1c(Cl)cc(F)c(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1F ZINC000534193407 531435874 /nfs/dbraw/zinc/43/58/74/531435874.db2.gz TYNDWVVYBKHVLR-UHFFFAOYSA-N 1 0 375.803 1.438 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)Oc1ccccc1Br ZINC000485597306 531437257 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CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414356597 531443585 /nfs/dbraw/zinc/44/35/85/531443585.db2.gz FLKPSBCEXNESRA-LDYMZIIASA-N 1 0 383.333 1.299 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)C1 ZINC000267674603 531443868 /nfs/dbraw/zinc/44/38/68/531443868.db2.gz VTEARNZGTLGJPA-CQSZACIVSA-N 1 0 376.425 1.275 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000486416412 531451017 /nfs/dbraw/zinc/45/10/17/531451017.db2.gz LOENMSQUEYWSMK-ZDUSSCGKSA-N 1 0 387.468 1.869 20 0 GDADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000448160597 531448736 /nfs/dbraw/zinc/44/87/36/531448736.db2.gz SSAXACSMQONUAH-HZPDHXFCSA-N 1 0 375.535 1.216 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1nc2ccc(Br)cn2n1 ZINC000414398768 531448919 /nfs/dbraw/zinc/44/89/19/531448919.db2.gz KBEMSWLAKQPDFZ-GFCCVEGCSA-N 1 0 382.262 1.068 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000415306348 531473209 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GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc(OC(C)C)c2)C1 ZINC000415313519 531474694 /nfs/dbraw/zinc/47/46/94/531474694.db2.gz DZJMYLCPSFVLCE-GFCCVEGCSA-N 1 0 384.274 1.995 20 0 GDADRO Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449729562 531474833 /nfs/dbraw/zinc/47/48/33/531474833.db2.gz NLBVHDFJRMFUBH-CYBMUJFWSA-N 1 0 379.404 1.544 20 0 GDADRO O=C(Nc1cccc(F)c1I)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415314360 531474898 /nfs/dbraw/zinc/47/48/98/531474898.db2.gz JKUNCOZHXRPAAL-QMMMGPOBSA-N 1 0 391.184 1.237 20 0 GDADRO CSCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449729153 531475279 /nfs/dbraw/zinc/47/52/79/531475279.db2.gz YTCGZGLKJKJTGT-STQMWFEESA-N 1 0 377.432 1.934 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415329385 531475751 /nfs/dbraw/zinc/47/57/51/531475751.db2.gz KIDWGEGLFHWZTM-MRVPVSSYSA-N 1 0 376.201 1.782 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)nn1-c1ccc(Cl)cc1Cl ZINC000415337687 531476700 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C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000538206867 531465924 /nfs/dbraw/zinc/46/59/24/531465924.db2.gz VVJUKYUBWBNPMD-GJZGRUSLSA-N 1 0 388.555 1.630 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415351221 531477542 /nfs/dbraw/zinc/47/75/42/531477542.db2.gz ISJNXCPYXBCSSV-GHMZBOCLSA-N 1 0 384.274 1.901 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362932449 531466699 /nfs/dbraw/zinc/46/66/99/531466699.db2.gz OCNGOUDSLGFEPK-OLZOCXBDSA-N 1 0 396.285 1.675 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000415182064 531466747 /nfs/dbraw/zinc/46/67/47/531466747.db2.gz CMTCYFUMEWYSMR-SNVBAGLBSA-N 1 0 382.408 1.776 20 0 GDADRO CCN(CC)S(=O)(=O)CC[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449147589 531467110 /nfs/dbraw/zinc/46/71/10/531467110.db2.gz QUEPOFJWQYVYNT-AWEZNQCLSA-N 1 0 376.544 1.455 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[S@@](C)=O ZINC000449164006 531467143 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COCCOC1(C[NH2+][C@@H](C)Cn2cc(Br)cn2)CCOCC1 ZINC000449395185 531470074 /nfs/dbraw/zinc/47/00/74/531470074.db2.gz TVXZCXOXHJTIDK-ZDUSSCGKSA-N 1 0 376.295 1.836 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000415278800 531470434 /nfs/dbraw/zinc/47/04/34/531470434.db2.gz GWGFWXCWVDFNNA-UHFFFAOYSA-N 1 0 383.290 1.108 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415350170 531477757 /nfs/dbraw/zinc/47/77/57/531477757.db2.gz YQABKFPNJKFYHT-GFCCVEGCSA-N 1 0 395.301 1.808 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415290673 531471128 /nfs/dbraw/zinc/47/11/28/531471128.db2.gz DOWDIHOYIRKPFP-LLVKDONJSA-N 1 0 378.230 1.133 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC1 ZINC000415281928 531471137 /nfs/dbraw/zinc/47/11/37/531471137.db2.gz LEIIHIOLSMJKEJ-UHFFFAOYSA-N 1 0 377.242 1.886 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415290382 531471243 /nfs/dbraw/zinc/47/12/43/531471243.db2.gz GQTZITNEXORKIM-UHFFFAOYSA-N 1 0 394.273 1.292 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)NCCC[NH3+])c(I)c1 ZINC000415288941 531471404 /nfs/dbraw/zinc/47/14/04/531471404.db2.gz AGGDGHBPSATUID-UHFFFAOYSA-N 1 0 379.173 1.142 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2I)C1 ZINC000415296645 531472268 /nfs/dbraw/zinc/47/22/68/531472268.db2.gz SRBRKAKEFQMNOB-MRVPVSSYSA-N 1 0 393.612 1.443 20 0 GDADRO O=C(Nc1cccc2cncc(Br)c21)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415301158 531472473 /nfs/dbraw/zinc/47/24/73/531472473.db2.gz BCNNLABOJITYSA-NSHDSACASA-N 1 0 377.242 1.804 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1Br ZINC000415352096 531478619 /nfs/dbraw/zinc/47/86/19/531478619.db2.gz OYIJCVRXOPCWOR-QWRGUYRKSA-N 1 0 384.274 1.901 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000415362282 531479233 /nfs/dbraw/zinc/47/92/33/531479233.db2.gz OQXVIKHXHTVWGA-GFCCVEGCSA-N 1 0 387.221 1.440 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)C1 ZINC000415364095 531479273 /nfs/dbraw/zinc/47/92/73/531479273.db2.gz RQAJBWTXDXHYBO-SNVBAGLBSA-N 1 0 377.242 1.743 20 0 GDADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415378529 531480668 /nfs/dbraw/zinc/48/06/68/531480668.db2.gz IBTAMPQJOXOQPX-UHFFFAOYSA-N 1 0 395.628 1.737 20 0 GDADRO COCCCS(=O)(=O)c1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1 ZINC000415377788 531480897 /nfs/dbraw/zinc/48/08/97/531480897.db2.gz BMPYFLFPXXKPKB-CYBMUJFWSA-N 1 0 379.429 1.601 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415378516 531480914 /nfs/dbraw/zinc/48/09/14/531480914.db2.gz IAPREVJUTNYVIT-UHFFFAOYSA-N 1 0 375.210 1.392 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415551818 531493304 /nfs/dbraw/zinc/49/33/04/531493304.db2.gz MMXLXXDAMGWJOR-JTQLQIEISA-N 1 0 388.262 1.266 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415428570 531484804 /nfs/dbraw/zinc/48/48/04/531484804.db2.gz CWMGGQOBJDWEGF-MNOVXSKESA-N 1 0 384.274 1.982 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415551357 531493475 /nfs/dbraw/zinc/49/34/75/531493475.db2.gz LBESNGOFZIEAQO-VIFPVBQESA-N 1 0 375.210 1.392 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000268222693 531486406 /nfs/dbraw/zinc/48/64/06/531486406.db2.gz MENIOLBKNULFDL-SNPRPXQTSA-N 1 0 383.539 1.500 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC[C@H]1[NH3+] ZINC000415448627 531486583 /nfs/dbraw/zinc/48/65/83/531486583.db2.gz QTLYHNOTFJPLSM-JOYOIKCWSA-N 1 0 381.274 1.856 20 0 GDADRO COc1ccc(C(=O)NCC[N@H+]2CC=CCC2)nc1I ZINC000280299891 531487091 /nfs/dbraw/zinc/48/70/91/531487091.db2.gz RXVKTWRQVVRMPZ-UHFFFAOYSA-N 1 0 387.221 1.687 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC[C@H]1[NH3+] ZINC000415451867 531487797 /nfs/dbraw/zinc/48/77/97/531487797.db2.gz KTLFJGXBJOZATB-RDDDGLTNSA-N 1 0 376.201 1.862 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N(C)C[C@H](O)C[NH3+] ZINC000415469107 531488804 /nfs/dbraw/zinc/48/88/04/531488804.db2.gz LADFRFLZUXPUSB-SSDOTTSWSA-N 1 0 378.198 1.158 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415472850 531489584 /nfs/dbraw/zinc/48/95/84/531489584.db2.gz ZJYPDVCZPJKZAD-MRVPVSSYSA-N 1 0 390.209 1.566 20 0 GDADRO Cc1nc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1Br ZINC000415485524 531489962 /nfs/dbraw/zinc/48/99/62/531489962.db2.gz DPHFVFTYFQODRU-LLVKDONJSA-N 1 0 384.278 1.471 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000415495479 531491106 /nfs/dbraw/zinc/49/11/06/531491106.db2.gz FPUYRTHYJDVICD-ZDUSSCGKSA-N 1 0 389.905 1.514 20 0 GDADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCS[C@H]2CCCC[C@H]21 ZINC000268282391 531491357 /nfs/dbraw/zinc/49/13/57/531491357.db2.gz BKEBIPNKILWBQA-CVEARBPZSA-N 1 0 383.539 1.941 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415518991 531492024 /nfs/dbraw/zinc/49/20/24/531492024.db2.gz JEPGPOKQMYNDIO-BDAKNGLRSA-N 1 0 388.251 1.914 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000415542227 531492290 /nfs/dbraw/zinc/49/22/90/531492290.db2.gz UKCSWXJDYBDRKO-NSHDSACASA-N 1 0 387.221 1.392 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C1CC1 ZINC000415540000 531492589 /nfs/dbraw/zinc/49/25/89/531492589.db2.gz NIQIVWFJDIFUEI-GFCCVEGCSA-N 1 0 382.251 1.971 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415542854 531492956 /nfs/dbraw/zinc/49/29/56/531492956.db2.gz VZRNCRAHWPLUOI-UHFFFAOYSA-N 1 0 378.654 1.393 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000658541228 531513747 /nfs/dbraw/zinc/51/37/47/531513747.db2.gz JQDVOCXQXOUZHZ-UHFFFAOYSA-N 1 0 381.274 1.680 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000415685059 531513709 /nfs/dbraw/zinc/51/37/09/531513709.db2.gz UCCIAIZHEPHJHH-VXGBXAGGSA-N 1 0 398.305 1.930 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658539255 531514743 /nfs/dbraw/zinc/51/47/43/531514743.db2.gz SQHBQRSJFLIVRP-UHFFFAOYSA-N 1 0 384.274 1.554 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)cc1Br ZINC000658539735 531514948 /nfs/dbraw/zinc/51/49/48/531514948.db2.gz HRADCUHLZPQQHX-UHFFFAOYSA-N 1 0 384.274 1.806 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000415697879 531515261 /nfs/dbraw/zinc/51/52/61/531515261.db2.gz XGLJQCZHFGBNFZ-INIZCTEOSA-N 1 0 384.249 1.675 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(Br)ccc1OCCOC ZINC000415548560 531493915 /nfs/dbraw/zinc/49/39/15/531493915.db2.gz REZXJTXIRIKSQQ-UHFFFAOYSA-N 1 0 388.262 1.091 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415557885 531494410 /nfs/dbraw/zinc/49/44/10/531494410.db2.gz DOCDOLNSZLIFQH-ZETCQYMHSA-N 1 0 379.173 1.222 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)ncc1Br ZINC000415553303 531494521 /nfs/dbraw/zinc/49/45/21/531494521.db2.gz OLACCSDHIYLDRA-UHFFFAOYSA-N 1 0 381.274 1.693 20 0 GDADRO COc1cc(Br)c(C(=O)NCCOCC[NH+](C)C)cc1OC ZINC000450432864 531495088 /nfs/dbraw/zinc/49/50/88/531495088.db2.gz CDQNUDDUUBVGAY-UHFFFAOYSA-N 1 0 375.263 1.774 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415563290 531495755 /nfs/dbraw/zinc/49/57/55/531495755.db2.gz YIEZWMBDUNGEPP-ZETCQYMHSA-N 1 0 395.628 1.737 20 0 GDADRO COC(=O)C[C@@H]1CSCCN1CCC[N@@H+]1CCSC[C@@H]1CC(=O)OC ZINC000489289800 531496524 /nfs/dbraw/zinc/49/65/24/531496524.db2.gz KFYPJCCXGYOMHM-GASCZTMLSA-N 1 0 390.571 1.338 20 0 GDADRO CC(C)OCCS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450452824 531496581 /nfs/dbraw/zinc/49/65/81/531496581.db2.gz KTJHIQOVFJEQIA-SFHVURJKSA-N 1 0 375.579 1.622 20 0 GDADRO O=S(=O)(Cc1ccc(Cl)nc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363636441 531496759 /nfs/dbraw/zinc/49/67/59/531496759.db2.gz BFJAWDLPSHWNFA-UHFFFAOYSA-N 1 0 387.933 1.999 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)CC[NH3+])c(I)c1 ZINC000415575080 531497482 /nfs/dbraw/zinc/49/74/82/531497482.db2.gz PDUXBMWAJKRIGU-QMMMGPOBSA-N 1 0 393.200 1.531 20 0 GDADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000581536637 531497538 /nfs/dbraw/zinc/49/75/38/531497538.db2.gz NSOGAKOLVSVCIS-PHIMTYICSA-N 1 0 384.249 1.985 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435149 531497717 /nfs/dbraw/zinc/49/77/17/531497717.db2.gz BOKKWVBNZPFUTO-CMPLNLGQSA-N 1 0 376.320 1.841 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000635590746 531498367 /nfs/dbraw/zinc/49/83/67/531498367.db2.gz YHMOWZIQYIYQHB-MJBXVCDLSA-N 1 0 382.448 1.686 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000415584796 531498352 /nfs/dbraw/zinc/49/83/52/531498352.db2.gz TZDYGUQBAUXORK-ZKYQVNSYSA-N 1 0 396.285 1.982 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000415581799 531498474 /nfs/dbraw/zinc/49/84/74/531498474.db2.gz STPOMJPGGLHDCC-VHSXEESVSA-N 1 0 387.221 1.425 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000294821714 531499663 /nfs/dbraw/zinc/49/96/63/531499663.db2.gz MVEXBKOTTMLNSD-AWEZNQCLSA-N 1 0 387.933 1.677 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1c(Br)cc(F)cc1Br ZINC000415593323 531499565 /nfs/dbraw/zinc/49/95/65/531499565.db2.gz DOAGQIUFSJHBPX-RXMQYKEDSA-N 1 0 397.042 1.753 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415593061 531499871 /nfs/dbraw/zinc/49/98/71/531499871.db2.gz JDHJZANLGCJTKT-QGZVFWFLSA-N 1 0 393.285 1.872 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000415594282 531499967 /nfs/dbraw/zinc/49/99/67/531499967.db2.gz IJYPLVHSONSUKH-UHFFFAOYSA-N 1 0 399.232 1.574 20 0 GDADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635652909 531501085 /nfs/dbraw/zinc/50/10/85/531501085.db2.gz TWLHIOCYOXUCKA-KBPBESRZSA-N 1 0 382.448 1.733 20 0 GDADRO NS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)cc1C(F)(F)F ZINC000450589181 531501792 /nfs/dbraw/zinc/50/17/92/531501792.db2.gz CFDMBKURIAXSQH-LBPRGKRZSA-N 1 0 381.420 1.612 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1ccc(Br)cc1 ZINC000363682573 531502128 /nfs/dbraw/zinc/50/21/28/531502128.db2.gz LETOGGXUQPDQAV-KBPBESRZSA-N 1 0 382.258 1.367 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415623766 531504622 /nfs/dbraw/zinc/50/46/22/531504622.db2.gz HVQYJDNEYOZEMX-SECBINFHSA-N 1 0 376.201 1.924 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(I)c1 ZINC000415617064 531505061 /nfs/dbraw/zinc/50/50/61/531505061.db2.gz QFNVMNVYQODDRB-BXKDBHETSA-N 1 0 387.221 1.344 20 0 GDADRO O=C(c1occc1Br)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000581666597 531506674 /nfs/dbraw/zinc/50/66/74/531506674.db2.gz OTOIPZXLQGLQDH-STQMWFEESA-N 1 0 397.273 1.402 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415629076 531507421 /nfs/dbraw/zinc/50/74/21/531507421.db2.gz VAHHHIRCLRSEQJ-ZUZCIYMTSA-N 1 0 380.286 1.991 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000363774513 531507534 /nfs/dbraw/zinc/50/75/34/531507534.db2.gz ODWVNAYDONHIHQ-HUUCEWRRSA-N 1 0 396.285 1.675 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(Cc2cnc(Br)s2)CC1 ZINC000294914956 531507822 /nfs/dbraw/zinc/50/78/22/531507822.db2.gz JHQIPTMMHJLMHH-UHFFFAOYSA-N 1 0 375.336 1.795 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)C1 ZINC000635750306 531507707 /nfs/dbraw/zinc/50/77/07/531507707.db2.gz MBSIIVZQCNWGTB-LRDDRELGSA-N 1 0 380.286 1.790 20 0 GDADRO CCOC(=O)c1sc(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)nc1C ZINC000610566645 531508506 /nfs/dbraw/zinc/50/85/06/531508506.db2.gz GZULXYYDFSNSSU-INIZCTEOSA-N 1 0 386.543 1.865 20 0 GDADRO C[C@@H](CCNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[NH+](C)C ZINC000658423262 531508630 /nfs/dbraw/zinc/50/86/30/531508630.db2.gz IKTGSIJRHYEEBR-JTQLQIEISA-N 1 0 386.265 1.934 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC000415653794 531508936 /nfs/dbraw/zinc/50/89/36/531508936.db2.gz MFPRVXVMYLQURG-VIFPVBQESA-N 1 0 397.298 1.898 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000415658125 531509048 /nfs/dbraw/zinc/50/90/48/531509048.db2.gz VGWDPFZYYXOHRG-CMPLNLGQSA-N 1 0 387.221 1.616 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415653996 531509130 /nfs/dbraw/zinc/50/91/30/531509130.db2.gz GWTUPYZMQOLYEN-DTORHVGOSA-N 1 0 386.235 1.396 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415653259 531509166 /nfs/dbraw/zinc/50/91/66/531509166.db2.gz FTPNUOLEIPCCKQ-SNVBAGLBSA-N 1 0 395.261 1.083 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000557131395 531509645 /nfs/dbraw/zinc/50/96/45/531509645.db2.gz QOPBZMBGEUMOSP-ZDUSSCGKSA-N 1 0 387.315 1.489 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(I)ccc1C ZINC000415660473 531510153 /nfs/dbraw/zinc/51/01/53/531510153.db2.gz NZMMDDWYERUMKG-SNVBAGLBSA-N 1 0 389.237 1.652 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000415720129 531520558 /nfs/dbraw/zinc/52/05/58/531520558.db2.gz DIJBIQOFITWSPU-ZDUSSCGKSA-N 1 0 395.301 1.202 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000415729186 531521606 /nfs/dbraw/zinc/52/16/06/531521606.db2.gz UDLJBMKAPSRBPY-CQSZACIVSA-N 1 0 395.301 1.202 20 0 GDADRO CN(C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000415730366 531522061 /nfs/dbraw/zinc/52/20/61/531522061.db2.gz CYTONKPGSIWWSK-UHFFFAOYSA-N 1 0 380.164 1.837 20 0 GDADRO CN(C(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1)C1C[NH2+]C1 ZINC000415738385 531522669 /nfs/dbraw/zinc/52/26/69/531522669.db2.gz SKHLJDUEMQTBOP-UHFFFAOYSA-N 1 0 392.257 1.063 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415750689 531523358 /nfs/dbraw/zinc/52/33/58/531523358.db2.gz UPZGKSNDLIBCMG-NWDGAFQWSA-N 1 0 396.285 1.773 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)CCC[NH3+] ZINC000415761899 531524920 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DZRDYIDARANFDF-SECBINFHSA-N 1 0 398.286 2.078 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000415788849 531532112 /nfs/dbraw/zinc/53/21/12/531532112.db2.gz NDMDAPITZPXIBK-GFCCVEGCSA-N 1 0 399.337 1.715 20 0 GDADRO COCCOCCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280736761 531532334 /nfs/dbraw/zinc/53/23/34/531532334.db2.gz OREDDLWVKSXMGC-NSHDSACASA-N 1 0 395.319 1.800 20 0 GDADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415719150 531520310 /nfs/dbraw/zinc/52/03/10/531520310.db2.gz BUYDVFIMWPBPBL-GFCCVEGCSA-N 1 0 399.264 1.033 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000659683000 531553234 /nfs/dbraw/zinc/55/32/34/531553234.db2.gz QZOCCNSBQBPFGK-BBBLOLIVSA-N 1 0 378.420 1.925 20 0 GDADRO O=C(Nc1n[nH]c(SCCO)n1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000490586997 531537751 /nfs/dbraw/zinc/53/77/51/531537751.db2.gz OGFMMOMWICRSSK-UHFFFAOYSA-N 1 0 379.511 1.690 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2I)C[C@H]1[NH3+] 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1.445 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1cccc(Br)c1Cl ZINC000415832458 531539442 /nfs/dbraw/zinc/53/94/42/531539442.db2.gz LIAAZSNNUGZQKO-SECBINFHSA-N 1 0 390.665 1.536 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000611784980 531539826 /nfs/dbraw/zinc/53/98/26/531539826.db2.gz HUVSYLLYLHAJJH-KBPBESRZSA-N 1 0 376.475 1.278 20 0 GDADRO CNC(=O)c1cccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)c1Br ZINC000659097945 531540026 /nfs/dbraw/zinc/54/00/26/531540026.db2.gz SXMRHZINZCMFRZ-UHFFFAOYSA-N 1 0 397.273 1.135 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000611784981 531540353 /nfs/dbraw/zinc/54/03/53/531540353.db2.gz HUVSYLLYLHAJJH-KGLIPLIRSA-N 1 0 376.475 1.278 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000611802309 531540697 /nfs/dbraw/zinc/54/06/97/531540697.db2.gz ISEZNDTZOQAGMK-UHFFFAOYSA-N 1 0 381.278 1.887 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC[C@H]1F ZINC000659108625 531541660 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CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415866632 531546579 /nfs/dbraw/zinc/54/65/79/531546579.db2.gz OGICPCWRGRNIEF-LBPRGKRZSA-N 1 0 384.274 1.616 20 0 GDADRO Cc1ccc(I)cc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000268624595 531547781 /nfs/dbraw/zinc/54/77/81/531547781.db2.gz CDOURCZUZLDNEY-UHFFFAOYSA-N 1 0 388.249 1.786 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)NCCNC(=O)c2cccc(Br)c2)CC[C@H]1F ZINC000659448080 531547806 /nfs/dbraw/zinc/54/78/06/531547806.db2.gz PUTRJPMNCMCDOD-CHWSQXEVSA-N 1 0 387.253 1.260 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415875831 531548246 /nfs/dbraw/zinc/54/82/46/531548246.db2.gz ZWFHHDIDWRLVEC-QJPTWQEYSA-N 1 0 396.285 1.901 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659493732 531548595 /nfs/dbraw/zinc/54/85/95/531548595.db2.gz BOKJMMZZWVZDAC-CHWSQXEVSA-N 1 0 392.884 1.007 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCc2cc(Br)cc(F)c21 ZINC000582594311 531549408 /nfs/dbraw/zinc/54/94/08/531549408.db2.gz JNKQYMUTGLXBGR-RISCZKNCSA-N 1 0 396.260 1.688 20 0 GDADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000415885820 531550034 /nfs/dbraw/zinc/55/00/34/531550034.db2.gz IHWKNYRADISAQV-UHFFFAOYSA-N 1 0 376.240 1.253 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000415886440 531550102 /nfs/dbraw/zinc/55/01/02/531550102.db2.gz KMDHLUZBEDRDDM-UHFFFAOYSA-N 1 0 384.274 1.317 20 0 GDADRO CN1CCN(C(=O)CC[N@H+](C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000295256069 531550702 /nfs/dbraw/zinc/55/07/02/531550702.db2.gz GGSBSHKUVBTUEQ-MRXNPFEDSA-N 1 0 384.318 1.578 20 0 GDADRO CC[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280867995 531551772 /nfs/dbraw/zinc/55/17/72/531551772.db2.gz NMIVQDLWFQGYEL-ZBFHGGJFSA-N 1 0 388.965 1.535 20 0 GDADRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416004563 531553131 /nfs/dbraw/zinc/55/31/31/531553131.db2.gz IOXSKDCKIVYHDS-DGCLKSJQSA-N 1 0 381.420 1.818 20 0 GDADRO C[C@@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@@H]1CCC[NH2+]C1 ZINC000582061653 531533399 /nfs/dbraw/zinc/53/33/99/531533399.db2.gz JALOQNWJORTSJC-NXEZZACHSA-N 1 0 382.258 1.898 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415793468 531533429 /nfs/dbraw/zinc/53/34/29/531533429.db2.gz UYCLNXWCTLANLL-NXEZZACHSA-N 1 0 388.262 1.265 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000415805591 531534187 /nfs/dbraw/zinc/53/41/87/531534187.db2.gz KOEWRNAAOPBBLS-RQJHMYQMSA-N 1 0 390.209 1.165 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415805968 531534223 /nfs/dbraw/zinc/53/42/23/531534223.db2.gz LDVNRAPRQGBUPN-GHMZBOCLSA-N 1 0 394.273 1.484 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1)[C@H](C)[NH3+] ZINC000415805971 531534255 /nfs/dbraw/zinc/53/42/55/531534255.db2.gz LDVNRAPRQGBUPN-WDEREUQCSA-N 1 0 394.273 1.484 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415807222 531534656 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GDADRO CC[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH2+]C)Cc1cccc(Br)c1 ZINC000659695878 531555369 /nfs/dbraw/zinc/55/53/69/531555369.db2.gz GJENTNHHNZUQCB-CHWSQXEVSA-N 1 0 384.318 1.858 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)Oc1ccccc1Br ZINC000659702606 531555527 /nfs/dbraw/zinc/55/55/27/531555527.db2.gz QSQAMVFARWJMDP-DLGFLZQMSA-N 1 0 396.285 1.201 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000659713130 531556743 /nfs/dbraw/zinc/55/67/43/531556743.db2.gz DNLHPDFIHVPANW-CQSZACIVSA-N 1 0 385.295 1.496 20 0 GDADRO COCCCNC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636444029 531557384 /nfs/dbraw/zinc/55/73/84/531557384.db2.gz MFZOIJOCHMFXPG-AWEZNQCLSA-N 1 0 376.284 1.865 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C2 ZINC000659722809 531557435 /nfs/dbraw/zinc/55/74/35/531557435.db2.gz PJDMCBPJSNEOOA-IINYFYTJSA-N 1 0 380.286 1.714 20 0 GDADRO CCOCCNC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636509968 531558613 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Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)n1 ZINC000281275432 531600019 /nfs/dbraw/zinc/60/00/19/531600019.db2.gz YURBYXJOQSQBAH-QMMMGPOBSA-N 1 0 388.291 1.416 20 0 GDADRO Cn1cc(C[N@H+](C)[C@@H]2CCOc3ccc(Br)cc32)c(=O)n(C)c1=O ZINC000364837993 531601565 /nfs/dbraw/zinc/60/15/65/531601565.db2.gz BXBHNTSTIJLJKF-CQSZACIVSA-N 1 0 394.269 1.802 20 0 GDADRO C[NH+]1CCC(NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC1 ZINC000281288286 531601836 /nfs/dbraw/zinc/60/18/36/531601836.db2.gz FELXUGQMMGELQW-UHFFFAOYSA-N 1 0 398.305 1.896 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000281297138 531602379 /nfs/dbraw/zinc/60/23/79/531602379.db2.gz WYGJNNSMIGDQOG-VIFPVBQESA-N 1 0 388.251 1.786 20 0 GDADRO CCOC(=O)c1cc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)[nH]c1C ZINC000295627677 531605712 /nfs/dbraw/zinc/60/57/12/531605712.db2.gz HKGFROASPSTCAP-ZDUSSCGKSA-N 1 0 386.495 1.486 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000559628270 531605730 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Cn1ncc(I)c1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000584283616 531612710 /nfs/dbraw/zinc/61/27/10/531612710.db2.gz OJJKVRYJDLKPLA-UHFFFAOYSA-N 1 0 388.213 1.035 20 0 GDADRO O=C(Nc1cccc(I)c1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000584291721 531613179 /nfs/dbraw/zinc/61/31/79/531613179.db2.gz DOVPEMOIBSEPFM-GFCCVEGCSA-N 1 0 397.220 1.887 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N(C)CC2C[NH+](C)C2)s1 ZINC000660262032 531617591 /nfs/dbraw/zinc/61/75/91/531617591.db2.gz OOMWRTFPVPGFCF-UHFFFAOYSA-N 1 0 388.559 1.482 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1ccc(Br)cc1 ZINC000494692655 531618239 /nfs/dbraw/zinc/61/82/39/531618239.db2.gz VPHOEZDKFWBWFW-ZDUSSCGKSA-N 1 0 377.304 1.842 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)C1 ZINC000269167262 531618518 /nfs/dbraw/zinc/61/85/18/531618518.db2.gz QSUQUYGUIHIZOB-GFCCVEGCSA-N 1 0 389.905 1.089 20 0 GDADRO COc1cc(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)c(Br)cc1O ZINC000637244839 531616146 /nfs/dbraw/zinc/61/61/46/531616146.db2.gz SXBGWQVGWDDZLZ-NSHDSACASA-N 1 0 388.262 1.029 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C[C@@H]1[NH+](C)C ZINC000281451132 531619681 /nfs/dbraw/zinc/61/96/81/531619681.db2.gz FGWKRLIUFPURHB-NWDGAFQWSA-N 1 0 377.919 1.105 20 0 GDADRO CC(C)(C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000269175891 531620387 /nfs/dbraw/zinc/62/03/87/531620387.db2.gz LTMFFCSJSWDUSV-LBPRGKRZSA-N 1 0 389.905 1.264 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000494734651 531621058 /nfs/dbraw/zinc/62/10/58/531621058.db2.gz KKEZCGVZPNTWCB-OLZOCXBDSA-N 1 0 397.324 1.747 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000269202747 531623503 /nfs/dbraw/zinc/62/35/03/531623503.db2.gz YEYBMEIRMDGSJE-UHFFFAOYSA-N 1 0 378.292 1.153 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494884745 531622489 /nfs/dbraw/zinc/62/24/89/531622489.db2.gz ZJRGLJVPWUQVMJ-OAHLLOKOSA-N 1 0 399.333 1.905 20 0 GDADRO 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COc1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000451877775 531701963 /nfs/dbraw/zinc/70/19/63/531701963.db2.gz KGHFPVVSMXAVDL-IINYFYTJSA-N 1 0 375.288 1.782 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CCCO1 ZINC000662969576 531703153 /nfs/dbraw/zinc/70/31/53/531703153.db2.gz TWHRSMWPDJVTAQ-GFCCVEGCSA-N 1 0 386.279 1.454 20 0 GDADRO CS(=O)(=O)N(CC[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)Cc1ccccc1 ZINC000451890847 531704693 /nfs/dbraw/zinc/70/46/93/531704693.db2.gz NOLNTULVGZYSKB-GJZGRUSLSA-N 1 0 380.432 1.693 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000561514154 531705217 /nfs/dbraw/zinc/70/52/17/531705217.db2.gz UBBFIEJMGKNITG-UHFFFAOYSA-N 1 0 386.848 1.179 20 0 GDADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C ZINC000591116309 531706797 /nfs/dbraw/zinc/70/67/97/531706797.db2.gz AUYQNTMHGLRWRK-QWHCGFSZSA-N 1 0 376.519 1.120 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000561769545 531723139 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GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC[NH+]1CCC1 ZINC000505436834 531719964 /nfs/dbraw/zinc/71/99/64/531719964.db2.gz QUAMHGNHVQJYKN-AWEZNQCLSA-N 1 0 389.518 1.048 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000269746985 531735715 /nfs/dbraw/zinc/73/57/15/531735715.db2.gz GLKDDAQFRUUGNG-UHFFFAOYSA-N 1 0 393.303 1.193 20 0 GDADRO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000282318825 531737437 /nfs/dbraw/zinc/73/74/37/531737437.db2.gz VSQPTDOQKSTZDW-HNNXBMFYSA-N 1 0 391.559 1.239 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C[C@H](C)[NH2+]1 ZINC000620902334 531737658 /nfs/dbraw/zinc/73/76/58/531737658.db2.gz SUFZBTPUIUBAAO-CMPLNLGQSA-N 1 0 382.262 1.894 20 0 GDADRO CCC[C@@H]1CN(C(=O)Nc2nn(C)cc2Br)CC[N@@H+]1CCOC ZINC000640313087 531737739 /nfs/dbraw/zinc/73/77/39/531737739.db2.gz RMDGGEONWOBKST-GFCCVEGCSA-N 1 0 388.310 2.147 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000269751191 531738608 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GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000416941372 531748007 /nfs/dbraw/zinc/74/80/07/531748007.db2.gz BYFIVZXUVJNZJX-ZDUSSCGKSA-N 1 0 388.921 1.259 20 0 GDADRO CC(C)[NH+]1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000666143892 531752625 /nfs/dbraw/zinc/75/26/25/531752625.db2.gz ULNHALYQKWYUID-UHFFFAOYSA-N 1 0 379.262 1.591 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCc2csc(Br)c2)C1 ZINC000417101943 531753573 /nfs/dbraw/zinc/75/35/73/531753573.db2.gz YZNPTXOVHXDINK-LLVKDONJSA-N 1 0 389.319 1.507 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)C1 ZINC000640566506 531754970 /nfs/dbraw/zinc/75/49/70/531754970.db2.gz DTPCNLMQYUJLJS-RBSFLKMASA-N 1 0 380.432 1.392 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(CC(=O)NCC(=O)Nc1ccccc1Br)C2 ZINC000621779202 531756311 /nfs/dbraw/zinc/75/63/11/531756311.db2.gz BJPCBROUQVDFLX-SJCJKPOMSA-N 1 0 395.301 1.317 20 0 GDADRO C[C@@H]1CN(C(=O)NCCNC(=O)c2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000417210565 531759234 /nfs/dbraw/zinc/75/92/34/531759234.db2.gz RAJOFMLQVSDJRK-NEPJUHHUSA-N 1 0 383.290 1.571 20 0 GDADRO O=C(NCc1cn(Cc2ccc(Br)cc2)nn1)C1CC[NH2+]CC1 ZINC000640754326 531760891 /nfs/dbraw/zinc/76/08/91/531760891.db2.gz VRJWQRNNRKYDLN-UHFFFAOYSA-N 1 0 378.274 1.705 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417215472 531760900 /nfs/dbraw/zinc/76/09/00/531760900.db2.gz XAFKFHSSVOXSIW-AAEUAGOBSA-N 1 0 383.290 1.558 20 0 GDADRO Brc1ccc(-c2nnc(Cn3cc(CN4CC[NH2+]CC4)nn3)o2)o1 ZINC000640794261 531762819 /nfs/dbraw/zinc/76/28/19/531762819.db2.gz FPAKXITWTSEHHO-UHFFFAOYSA-N 1 0 394.233 1.137 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000562564785 531764193 /nfs/dbraw/zinc/76/41/93/531764193.db2.gz YRIFLPJNZZEQGB-IAGOWNOFSA-N 1 0 387.929 1.959 20 0 GDADRO CC[C@@H](C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[NH+](CC)CC ZINC000508171333 531765308 /nfs/dbraw/zinc/76/53/08/531765308.db2.gz LPYSOIJKHRGAEL-NSHDSACASA-N 1 0 381.951 1.916 20 0 GDADRO CC[C@H](C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[NH+](CC)CC ZINC000508171332 531765918 /nfs/dbraw/zinc/76/59/18/531765918.db2.gz LPYSOIJKHRGAEL-LLVKDONJSA-N 1 0 381.951 1.916 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000417588923 531783338 /nfs/dbraw/zinc/78/33/38/531783338.db2.gz UNCYIKJLFBFLTA-CYBMUJFWSA-N 1 0 397.317 1.788 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cn2cc(-c3cccc(C[NH3+])c3)nn2)s1 ZINC000641144413 531781002 /nfs/dbraw/zinc/78/10/02/531781002.db2.gz MNBNXPBOXHAYJR-UHFFFAOYSA-N 1 0 377.495 1.764 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1OC ZINC000282651857 531781760 /nfs/dbraw/zinc/78/17/60/531781760.db2.gz PIQUOQUQERSTGT-MRXNPFEDSA-N 1 0 388.511 1.197 20 0 GDADRO C[C@@H](CNC(=O)N(CC[NH3+])CCO)Sc1ccc(Br)cc1 ZINC000417573875 531781709 /nfs/dbraw/zinc/78/17/09/531781709.db2.gz HYHULBSTOMNHHE-NSHDSACASA-N 1 0 376.320 1.892 20 0 GDADRO C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)c(I)c2)CC1 ZINC000592368882 531782203 /nfs/dbraw/zinc/78/22/03/531782203.db2.gz IEBYKOPSDOOUKK-UHFFFAOYSA-N 1 0 394.278 1.972 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000417586264 531782875 /nfs/dbraw/zinc/78/28/75/531782875.db2.gz QWMYVMGEFGMGDF-AWEZNQCLSA-N 1 0 376.226 1.785 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000269813088 531768726 /nfs/dbraw/zinc/76/87/26/531768726.db2.gz MQJBWMKBXJHAMA-GFCCVEGCSA-N 1 0 376.450 1.247 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSCC[NH2+]C)c1 ZINC000592177354 531769019 /nfs/dbraw/zinc/76/90/19/531769019.db2.gz CISJAAPISPHYFV-UHFFFAOYSA-N 1 0 389.543 1.617 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCCc1ccc(I)s1)C1CC1 ZINC000417440435 531771253 /nfs/dbraw/zinc/77/12/53/531771253.db2.gz OCMXVLQNVOFSHZ-JTQLQIEISA-N 1 0 379.267 1.932 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417467937 531774700 /nfs/dbraw/zinc/77/47/00/531774700.db2.gz XDKBAMTUKYDUAL-LBPRGKRZSA-N 1 0 383.290 1.559 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417475900 531776385 /nfs/dbraw/zinc/77/63/85/531776385.db2.gz CCGGRAKIDPIAPC-VNHYZAJKSA-N 1 0 379.302 1.889 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417487692 531776955 /nfs/dbraw/zinc/77/69/55/531776955.db2.gz NXUFTQBMTINKPD-HNNXBMFYSA-N 1 0 397.317 1.962 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2CCC[C@@H]([NH3+])C2)s1 ZINC000417516345 531777494 /nfs/dbraw/zinc/77/74/94/531777494.db2.gz NHTSKBBUSGJLLA-CYBMUJFWSA-N 1 0 388.559 1.454 20 0 GDADRO O=C(NCC[NH2+]C1CC1)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000667671755 531783262 /nfs/dbraw/zinc/78/32/62/531783262.db2.gz FBQOSKZZWUFEAL-UHFFFAOYSA-N 1 0 384.278 1.554 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2CC[C@@H]([NH2+]C)C2)s1 ZINC000417499549 531778241 /nfs/dbraw/zinc/77/82/41/531778241.db2.gz FGLVZGHJSLOTAO-CYBMUJFWSA-N 1 0 388.559 1.324 20 0 GDADRO O=C(c1cncc(I)c1)N1CCN([C@@H]2CCOC2)CC1 ZINC000366797617 531780094 /nfs/dbraw/zinc/78/00/94/531780094.db2.gz IAFYOIJOJNVWEQ-CYBMUJFWSA-N 1 0 387.221 1.233 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418087516 531800947 /nfs/dbraw/zinc/80/09/47/531800947.db2.gz HIUXKMQMUHJNSD-ZIAGYGMSSA-N 1 0 381.274 1.687 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000668506558 531801131 /nfs/dbraw/zinc/80/11/31/531801131.db2.gz KIYJHXNIKNVJGM-ZBINZKHDSA-N 1 0 390.889 1.467 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418086998 531801767 /nfs/dbraw/zinc/80/17/67/531801767.db2.gz FOWCOBQIIWFFCG-OCCSQVGLSA-N 1 0 381.274 1.558 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(C[C@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641195865 531784386 /nfs/dbraw/zinc/78/43/86/531784386.db2.gz JUFSXAYMOLVTIA-YPMHNXCESA-N 1 0 375.256 1.541 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297356200 531784603 /nfs/dbraw/zinc/78/46/03/531784603.db2.gz QWIOIFQEQHMQRG-NSHDSACASA-N 1 0 396.293 1.249 20 0 GDADRO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000510320554 531784797 /nfs/dbraw/zinc/78/47/97/531784797.db2.gz FNEOKNDPGJIOAR-HUUCEWRRSA-N 1 0 391.603 1.428 20 0 GDADRO COCC[C@@H]([NH3+])Cc1cn(C[C@@H](O)COc2ccc(Br)cc2)nn1 ZINC000641195088 531785236 /nfs/dbraw/zinc/78/52/36/531785236.db2.gz RZHBAVWCZSMVOU-UKRRQHHQSA-N 1 0 399.289 1.387 20 0 GDADRO [NH3+][C@H](CNC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC1 ZINC000417845164 531786142 /nfs/dbraw/zinc/78/61/42/531786142.db2.gz XHINNETZJKJELD-SNVBAGLBSA-N 1 0 376.770 1.938 20 0 GDADRO C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)Oc1ccccc1Br ZINC000417832517 531786381 /nfs/dbraw/zinc/78/63/81/531786381.db2.gz SVVSGRCURWIIEX-CHWSQXEVSA-N 1 0 385.306 1.419 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000641206279 531786565 /nfs/dbraw/zinc/78/65/65/531786565.db2.gz RIYHLIGDXDFUOD-CMPLNLGQSA-N 1 0 375.256 1.541 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000282724220 531788121 /nfs/dbraw/zinc/78/81/21/531788121.db2.gz UNHVMNMWEAZZLM-UHFFFAOYSA-N 1 0 396.738 1.628 20 0 GDADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641252129 531788289 /nfs/dbraw/zinc/78/82/89/531788289.db2.gz JPLFGXWBHKQGED-UHFFFAOYSA-N 1 0 390.307 1.358 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297397012 531788300 /nfs/dbraw/zinc/78/83/00/531788300.db2.gz YUIPRYLZNKWSEQ-UHFFFAOYSA-N 1 0 385.266 1.534 20 0 GDADRO CCN1CC[NH+](CCCCNC(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000623018693 531790668 /nfs/dbraw/zinc/79/06/68/531790668.db2.gz SBIHQCTYFJPGKS-UHFFFAOYSA-N 1 0 385.306 1.697 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(C)s1 ZINC000417911509 531790874 /nfs/dbraw/zinc/79/08/74/531790874.db2.gz MDEFCFUAEWEFGZ-OCCSQVGLSA-N 1 0 388.559 1.331 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC000417926798 531792170 /nfs/dbraw/zinc/79/21/70/531792170.db2.gz KVQWGTHFQMOSBG-LLVKDONJSA-N 1 0 394.950 1.497 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623020030 531792729 /nfs/dbraw/zinc/79/27/29/531792729.db2.gz VCPYZRXDXVBYLF-ZDUSSCGKSA-N 1 0 393.289 1.981 20 0 GDADRO CCC[NH2+]CCNC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000418088125 531802020 /nfs/dbraw/zinc/80/20/20/531802020.db2.gz JKKPAVIVWKRWAM-UHFFFAOYSA-N 1 0 381.420 1.908 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC000623025683 531794364 /nfs/dbraw/zinc/79/43/64/531794364.db2.gz QKIJAQCESUSLBK-ZDUSSCGKSA-N 1 0 393.289 1.981 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)[C@H](C)N1CCOCC1 ZINC000562983828 531794545 /nfs/dbraw/zinc/79/45/45/531794545.db2.gz FPCFNTAMSFAPQX-DZKIICNBSA-N 1 0 387.318 1.888 20 0 GDADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623027379 531794795 /nfs/dbraw/zinc/79/47/95/531794795.db2.gz IPTJDZNVIKGHPR-LLVKDONJSA-N 1 0 381.278 1.883 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417993221 531796066 /nfs/dbraw/zinc/79/60/66/531796066.db2.gz AAIHOYAUGVPHLT-HNNXBMFYSA-N 1 0 399.333 1.593 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)NC3CC[NH2+]CC3)C2=O)ccc1Br ZINC000418010342 531797144 /nfs/dbraw/zinc/79/71/44/531797144.db2.gz JMQFXROFMRHMCP-OAHLLOKOSA-N 1 0 395.301 1.914 20 0 GDADRO CCS(=O)(=O)CCC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000563008334 531797273 /nfs/dbraw/zinc/79/72/73/531797273.db2.gz VWVFEMRBGXMODL-ZDUSSCGKSA-N 1 0 380.304 1.603 20 0 GDADRO COCCCS(=O)(=O)NCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282809573 531799537 /nfs/dbraw/zinc/79/95/37/531799537.db2.gz HYFSOERQJKGBGN-HNNXBMFYSA-N 1 0 391.921 1.015 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000668459556 531800184 /nfs/dbraw/zinc/80/01/84/531800184.db2.gz JYGGJLZGEFEMHZ-HNNXBMFYSA-N 1 0 382.302 1.708 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])c(F)cc1Br ZINC000563211948 531818357 /nfs/dbraw/zinc/81/83/57/531818357.db2.gz RODMYTIQXBZWJU-JTQLQIEISA-N 1 0 380.283 1.160 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)C[C@]3(C)CC3(F)F)CC2)CC1 ZINC000641399973 531818573 /nfs/dbraw/zinc/81/85/73/531818573.db2.gz KKCRPENNUVZYKV-INIZCTEOSA-N 1 0 379.517 1.852 20 0 GDADRO C[C@@H]1CN(Cc2cn(-c3ccccc3Br)nn2)[C@@H](C)C[N@@H+]1CCO ZINC000418115478 531803384 /nfs/dbraw/zinc/80/33/84/531803384.db2.gz PKDFGYZUCGDKDR-KGLIPLIRSA-N 1 0 394.317 1.917 20 0 GDADRO O=C(NCCCCn1cc(Br)cn1)NCCCN1CC[NH2+]CC1 ZINC000418109000 531803982 /nfs/dbraw/zinc/80/39/82/531803982.db2.gz SIMYHUOAHGWXKD-UHFFFAOYSA-N 1 0 387.326 1.020 20 0 GDADRO C[C@H]1CCN(C(=O)NCc2nn(C)cc2I)C[C@@H]1C[NH3+] ZINC000418269524 531818778 /nfs/dbraw/zinc/81/87/78/531818778.db2.gz YDQOYJMXRKVILP-UWVGGRQHSA-N 1 0 391.257 1.151 20 0 GDADRO O=C(NCCOc1ccc(I)cc1)NC[C@H]1CCC[NH2+]1 ZINC000418148739 531804998 /nfs/dbraw/zinc/80/49/98/531804998.db2.gz AFVSYNIPSGLDBB-GFCCVEGCSA-N 1 0 389.237 1.721 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418141701 531805650 /nfs/dbraw/zinc/80/56/50/531805650.db2.gz JAOXATQKPHBWNT-CHWSQXEVSA-N 1 0 388.921 1.387 20 0 GDADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367060176 531806099 /nfs/dbraw/zinc/80/60/99/531806099.db2.gz OINHWDDOUMFJKF-OCCSQVGLSA-N 1 0 388.295 1.239 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000563109467 531807158 /nfs/dbraw/zinc/80/71/58/531807158.db2.gz KCGUCMTYQODTSV-ONGXEEELSA-N 1 0 380.242 1.302 20 0 GDADRO CN(C(=O)NCCOc1ccc(I)cc1)C1CC([NH3+])C1 ZINC000418159005 531808229 /nfs/dbraw/zinc/80/82/29/531808229.db2.gz QNNSBLVXPSJSBU-UHFFFAOYSA-N 1 0 389.237 1.801 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418158311 531809076 /nfs/dbraw/zinc/80/90/76/531809076.db2.gz BASTVWRRKBBULQ-CYBMUJFWSA-N 1 0 388.559 1.385 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418164791 531810550 /nfs/dbraw/zinc/81/05/50/531810550.db2.gz INGFBTAZPGNTBH-KBPBESRZSA-N 1 0 388.559 1.575 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418166758 531811425 /nfs/dbraw/zinc/81/14/25/531811425.db2.gz LRHFVVNJWYTCIF-CYBMUJFWSA-N 1 0 388.559 1.575 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1OC ZINC000563129056 531811476 /nfs/dbraw/zinc/81/14/76/531811476.db2.gz UMAGBYVBODOIOP-JQWIXIFHSA-N 1 0 390.889 1.931 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[NH2+]CC1 ZINC000563146791 531811978 /nfs/dbraw/zinc/81/19/78/531811978.db2.gz TTXZQIQRIGUKNP-NSHDSACASA-N 1 0 379.404 1.194 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282937189 531812121 /nfs/dbraw/zinc/81/21/21/531812121.db2.gz YRNVVHUWHRDDST-KRWDZBQOSA-N 1 0 390.933 1.587 20 0 GDADRO CN(C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000563143235 531812199 /nfs/dbraw/zinc/81/21/99/531812199.db2.gz PCULIQSTVJNWHW-VXGBXAGGSA-N 1 0 381.698 1.354 20 0 GDADRO C[C@H](C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)S(C)(=O)=O ZINC000563137210 531812371 /nfs/dbraw/zinc/81/23/71/531812371.db2.gz BLKASQWMBSGMPA-MNOVXSKESA-N 1 0 382.295 1.762 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000515844129 531812642 /nfs/dbraw/zinc/81/26/42/531812642.db2.gz PLGHEBPKQKEICZ-ONGXEEELSA-N 1 0 375.878 1.665 20 0 GDADRO Cn1cc(C[C@@H](CO)[NH2+]C[C@@H](O)COc2cccc(Br)c2)cn1 ZINC000563137553 531812767 /nfs/dbraw/zinc/81/27/67/531812767.db2.gz GOKRZQGCIDHZFJ-LSDHHAIUSA-N 1 0 384.274 1.116 20 0 GDADRO CCCN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000563142209 531812939 /nfs/dbraw/zinc/81/29/39/531812939.db2.gz JIQCKWZGIYFPIK-LLVKDONJSA-N 1 0 394.324 1.872 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418170329 531813055 /nfs/dbraw/zinc/81/30/55/531813055.db2.gz RZDQZSGZPXMSFG-SECBINFHSA-N 1 0 383.301 1.308 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NCC[NH2+]C2CC2)s1 ZINC000669461552 531813822 /nfs/dbraw/zinc/81/38/22/531813822.db2.gz ASZBGSXTWTUATC-UHFFFAOYSA-N 1 0 388.559 1.372 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418179508 531814269 /nfs/dbraw/zinc/81/42/69/531814269.db2.gz GHGZLCGNRTZQEG-NSHDSACASA-N 1 0 398.863 1.208 20 0 GDADRO CN(C(=O)c1csc(CC[NH3+])n1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000563160730 531814267 /nfs/dbraw/zinc/81/42/67/531814267.db2.gz NCPSRBVJOFFVBB-ZDUSSCGKSA-N 1 0 397.298 1.705 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418183756 531814389 /nfs/dbraw/zinc/81/43/89/531814389.db2.gz MARIDBOFUNCRKA-TZMCWYRMSA-N 1 0 388.921 1.353 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N(C)Cc1nccn1C ZINC000297745686 531817418 /nfs/dbraw/zinc/81/74/18/531817418.db2.gz IATUGGGCLXCOLL-UHFFFAOYSA-N 1 0 385.287 1.861 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1nn(C)cc1I ZINC000418266344 531817589 /nfs/dbraw/zinc/81/75/89/531817589.db2.gz VLNWJTVSQAJZRX-SNVBAGLBSA-N 1 0 391.257 1.308 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000418389623 531823243 /nfs/dbraw/zinc/82/32/43/531823243.db2.gz OKEOYIGYSLRCPY-VXGBXAGGSA-N 1 0 390.297 1.894 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000418405881 531825323 /nfs/dbraw/zinc/82/53/23/531825323.db2.gz LGWCGMZKIICOTA-KGLIPLIRSA-N 1 0 383.290 1.615 20 0 GDADRO CCC[NH2+]CCNC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000418484925 531825966 /nfs/dbraw/zinc/82/59/66/531825966.db2.gz ZNBLCDAJNBCOJX-CQSZACIVSA-N 1 0 383.290 1.631 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000418483511 531826259 /nfs/dbraw/zinc/82/62/59/531826259.db2.gz FWKZFFLXPIZJDQ-GFCCVEGCSA-N 1 0 383.290 1.511 20 0 GDADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623938617 531827533 /nfs/dbraw/zinc/82/75/33/531827533.db2.gz WMYPNLRVBMJNDA-ZDUSSCGKSA-N 1 0 392.305 1.733 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC000641402553 531819288 /nfs/dbraw/zinc/81/92/88/531819288.db2.gz LKFNVMAWEQZJRL-SJLPKXTDSA-N 1 0 376.563 1.812 20 0 GDADRO O=C(NCCc1cccc(Br)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000418277225 531819646 /nfs/dbraw/zinc/81/96/46/531819646.db2.gz GWGLFSXHGBXQEK-INIZCTEOSA-N 1 0 381.318 1.681 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)s1 ZINC000517405380 531820931 /nfs/dbraw/zinc/82/09/31/531820931.db2.gz JWICUZLQIAJNCT-STQMWFEESA-N 1 0 388.559 1.718 20 0 GDADRO CC[NH2+]CCNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418312866 531821577 /nfs/dbraw/zinc/82/15/77/531821577.db2.gz AIUHMNZSHDTJEY-LBPRGKRZSA-N 1 0 376.270 1.648 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)NCc1ccc(Br)cc1OC ZINC000670471575 531832921 /nfs/dbraw/zinc/83/29/21/531832921.db2.gz QXLMCQJEWGPOJN-UHFFFAOYSA-N 1 0 386.290 1.532 20 0 GDADRO Cc1ccsc1[C@H](CO)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418619958 531833441 /nfs/dbraw/zinc/83/34/41/531833441.db2.gz QAFMKFNRZNRXNN-NWDGAFQWSA-N 1 0 380.436 1.225 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000297914036 531833589 /nfs/dbraw/zinc/83/35/89/531833589.db2.gz PUHQKFWEHCOFJG-UHFFFAOYSA-N 1 0 377.272 1.599 20 0 GDADRO C[C@@H](NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)[C@H](C)[NH3+] ZINC000418709133 531834124 /nfs/dbraw/zinc/83/41/24/531834124.db2.gz UTWNHYIMPVIQJR-TUAOUCFPSA-N 1 0 398.305 1.940 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Br ZINC000418681084 531834246 /nfs/dbraw/zinc/83/42/46/531834246.db2.gz YIBRUFCSZDQLMH-FOCJUVANSA-N 1 0 398.301 1.126 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000418713285 531834643 /nfs/dbraw/zinc/83/46/43/531834643.db2.gz WHEAEAJZSNLTIO-CYBMUJFWSA-N 1 0 388.921 1.483 20 0 GDADRO C[C@@H](NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)[C@H](C)[NH3+] ZINC000418688342 531834787 /nfs/dbraw/zinc/83/47/87/531834787.db2.gz AVBBPIUYBMCMHV-HBNTYKKESA-N 1 0 376.270 1.774 20 0 GDADRO CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000624230830 531835704 /nfs/dbraw/zinc/83/57/04/531835704.db2.gz ITDUMWXDDCSRJL-HIFRSBDPSA-N 1 0 375.922 1.355 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000418753648 531837456 /nfs/dbraw/zinc/83/74/56/531837456.db2.gz DEFFJFIFQAPVOA-WFASDCNBSA-N 1 0 385.306 1.075 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000624078878 531831264 /nfs/dbraw/zinc/83/12/64/531831264.db2.gz YELYFOZWGNASQG-UKRRQHHQSA-N 1 0 378.416 1.935 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000418587218 531831672 /nfs/dbraw/zinc/83/16/72/531831672.db2.gz BTHYWZRTLIELDS-GFCCVEGCSA-N 1 0 388.559 1.379 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)ccc1Cl ZINC000270258428 531849369 /nfs/dbraw/zinc/84/93/69/531849369.db2.gz RFJYFISZCYZYNX-RYUDHWBXSA-N 1 0 389.905 1.687 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418833557 531849420 /nfs/dbraw/zinc/84/94/20/531849420.db2.gz QMXADFBHKUUYBK-BQPHKTIFSA-N 1 0 378.270 1.242 20 0 GDADRO COC[C@@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CCOCC1 ZINC000367621814 531849998 /nfs/dbraw/zinc/84/99/98/531849998.db2.gz UHHNBESAUUITRG-GOEBONIOSA-N 1 0 388.555 1.790 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418838776 531850773 /nfs/dbraw/zinc/85/07/73/531850773.db2.gz BQZWZVIRXZSTBS-JMSVASOKSA-N 1 0 382.302 1.611 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000418839515 531850983 /nfs/dbraw/zinc/85/09/83/531850983.db2.gz ZHJALZIPDHDCHX-RAIGVLPGSA-N 1 0 398.276 1.758 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000418840430 531852078 /nfs/dbraw/zinc/85/20/78/531852078.db2.gz FMGJQAWZAICTQK-RWMBFGLXSA-N 1 0 382.302 1.705 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418841470 531852228 /nfs/dbraw/zinc/85/22/28/531852228.db2.gz ZBHYYQRDLPPYOH-QLFBSQMISA-N 1 0 380.286 1.680 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418848009 531852639 /nfs/dbraw/zinc/85/26/39/531852639.db2.gz XAOYMGBVVLWJMN-SWLSCSKDSA-N 1 0 382.302 1.755 20 0 GDADRO CC(C)([NH3+])CCNC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000641817490 531853623 /nfs/dbraw/zinc/85/36/23/531853623.db2.gz IBJIPYBZTRMYFM-UHFFFAOYSA-N 1 0 386.294 1.930 20 0 GDADRO NC(=O)C1(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CCOCC1 ZINC000270280779 531854626 /nfs/dbraw/zinc/85/46/26/531854626.db2.gz YCXXFWGEXMWNMD-UHFFFAOYSA-N 1 0 384.267 1.946 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000418789791 531840584 /nfs/dbraw/zinc/84/05/84/531840584.db2.gz WXOINLBQLLCDCJ-UHFFFAOYSA-N 1 0 384.274 1.284 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000418786989 531840633 /nfs/dbraw/zinc/84/06/33/531840633.db2.gz TXNXFXJLHCUXSY-CMPLNLGQSA-N 1 0 384.274 1.331 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C[C@H]1[NH3+] ZINC000418799776 531840860 /nfs/dbraw/zinc/84/08/60/531840860.db2.gz BAMMRZDKUZZNNY-IQDGUBICSA-N 1 0 384.249 1.366 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000418784608 531841004 /nfs/dbraw/zinc/84/10/04/531841004.db2.gz PQMDAKLBDMIPQM-QWRGUYRKSA-N 1 0 384.274 1.283 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418800487 531841541 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O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cnn2cc(Br)cnc12 ZINC000367535476 531844113 /nfs/dbraw/zinc/84/41/13/531844113.db2.gz IHVMPYKGSWEDGL-NWDGAFQWSA-N 1 0 380.246 1.085 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cncc(Br)c3)C2)CC1 ZINC000270234512 531845674 /nfs/dbraw/zinc/84/56/74/531845674.db2.gz UQYLUTWDOAXFTJ-CYBMUJFWSA-N 1 0 395.301 1.973 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)C1 ZINC000418816866 531846338 /nfs/dbraw/zinc/84/63/38/531846338.db2.gz ZAYSQRHMAKRHOO-LMLFDSFASA-N 1 0 386.315 1.678 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(F)cc1Br ZINC000418821331 531846609 /nfs/dbraw/zinc/84/66/09/531846609.db2.gz QGWOIIUFZOOEJG-IINYFYTJSA-N 1 0 386.265 1.933 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCS1 ZINC000671149532 531847140 /nfs/dbraw/zinc/84/71/40/531847140.db2.gz LFXDKWQUFMEZLB-HNNXBMFYSA-N 1 0 385.599 1.818 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563522412 531847784 /nfs/dbraw/zinc/84/77/84/531847784.db2.gz ZYUUAIYBPCUVQA-UHFFFAOYSA-N 1 0 375.292 1.084 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418931890 531865793 /nfs/dbraw/zinc/86/57/93/531865793.db2.gz GPBGZKGMOVLGTQ-ZDUSSCGKSA-N 1 0 396.329 1.959 20 0 GDADRO OCCCN1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000563958329 531866850 /nfs/dbraw/zinc/86/68/50/531866850.db2.gz QGUNMIFFHSQQBT-HZPDHXFCSA-N 1 0 387.318 1.625 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[C@H](C)S1(=O)=O ZINC000643005988 531867039 /nfs/dbraw/zinc/86/70/39/531867039.db2.gz ROWOTTRPESRQHG-GJZGRUSLSA-N 1 0 382.551 1.883 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000283483598 531867385 /nfs/dbraw/zinc/86/73/85/531867385.db2.gz HHKNMIQAOUORKT-UHFFFAOYSA-N 1 0 386.290 1.150 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000418936208 531867720 /nfs/dbraw/zinc/86/77/20/531867720.db2.gz MAIAFTONHPUZEL-NSHDSACASA-N 1 0 388.331 1.772 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643069525 531867730 /nfs/dbraw/zinc/86/77/30/531867730.db2.gz UXROAAXDZCOYJW-YOEHRIQHSA-N 1 0 396.329 1.970 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418939521 531867789 /nfs/dbraw/zinc/86/77/89/531867789.db2.gz RGHOBLLKSXSJOT-UHFFFAOYSA-N 1 0 382.302 1.665 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000418938117 531867814 /nfs/dbraw/zinc/86/78/14/531867814.db2.gz PFEGGIJJZLVKED-CYBMUJFWSA-N 1 0 394.313 1.794 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1)C1CC1 ZINC000418937236 531868086 /nfs/dbraw/zinc/86/80/86/531868086.db2.gz NWXFXENMBFPMBO-OAHLLOKOSA-N 1 0 394.313 1.841 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000283495514 531868780 /nfs/dbraw/zinc/86/87/80/531868780.db2.gz PFNYYYCYLUISIQ-UHFFFAOYSA-N 1 0 386.265 1.805 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418853332 531855775 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OCCO[C@]1(C[NH2+]Cc2ccc(I)cc2)CCOC1 ZINC000594975791 531863375 /nfs/dbraw/zinc/86/33/75/531863375.db2.gz UNPFUUIELBNXMZ-AWEZNQCLSA-N 1 0 377.222 1.549 20 0 GDADRO C[C@H](CSCCF)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000595009015 531864664 /nfs/dbraw/zinc/86/46/64/531864664.db2.gz YAZFMDNGVMSCKV-GFCCVEGCSA-N 1 0 382.548 1.950 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418931761 531864921 /nfs/dbraw/zinc/86/49/21/531864921.db2.gz CCJGYYADGVRABA-OLZOCXBDSA-N 1 0 398.301 1.530 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595004595 531865494 /nfs/dbraw/zinc/86/54/94/531865494.db2.gz CEOHUGJGZSVFNE-ZDUSSCGKSA-N 1 0 394.278 1.807 20 0 GDADRO CN1CCN(C(=O)C[NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595010952 531865563 /nfs/dbraw/zinc/86/55/63/531865563.db2.gz AEJRMTLOUCLUGW-OAHLLOKOSA-N 1 0 399.276 1.642 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cc(F)cc(Br)c3)C[C@H]21 ZINC000418947572 531870435 /nfs/dbraw/zinc/87/04/35/531870435.db2.gz PWTNKTKDXKGAOD-KCPJHIHWSA-N 1 0 398.276 1.790 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418946481 531870525 /nfs/dbraw/zinc/87/05/25/531870525.db2.gz RMPJLWZIGKEXMT-GLQYFDAESA-N 1 0 380.286 1.796 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3cc(F)cc(Br)c3)C[C@H]21 ZINC000418948236 531871051 /nfs/dbraw/zinc/87/10/51/531871051.db2.gz PWTNKTKDXKGAOD-NILFDRSVSA-N 1 0 398.276 1.790 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418946976 531871097 /nfs/dbraw/zinc/87/10/97/531871097.db2.gz SBPBMJMEPIJKOK-HNNXBMFYSA-N 1 0 380.286 1.811 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000595244348 531871616 /nfs/dbraw/zinc/87/16/16/531871616.db2.gz JPZNSVDZKGWWDL-MRVPVSSYSA-N 1 0 386.246 1.207 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCCC[NH2+]C(C)C)c1 ZINC000564958652 531871695 /nfs/dbraw/zinc/87/16/95/531871695.db2.gz IGESIZABUUIRAV-UHFFFAOYSA-N 1 0 391.559 1.384 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418951462 531871737 /nfs/dbraw/zinc/87/17/37/531871737.db2.gz QAIKEWCEPZIALB-CYBMUJFWSA-N 1 0 384.274 1.155 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCCOc2cccc(Br)c2)[C@H]1C[NH3+] ZINC000418954739 531872004 /nfs/dbraw/zinc/87/20/04/531872004.db2.gz TWUVUPIKUUMIGB-DOMZBBRYSA-N 1 0 398.301 1.530 20 0 GDADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000564970890 531873412 /nfs/dbraw/zinc/87/34/12/531873412.db2.gz VLGRINHXFXNYMA-WDEREUQCSA-N 1 0 376.862 1.253 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ncsc1Br ZINC000673186211 531873780 /nfs/dbraw/zinc/87/37/80/531873780.db2.gz UWNYVBUARBQEBJ-JTQLQIEISA-N 1 0 389.319 1.578 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418968170 531873914 /nfs/dbraw/zinc/87/39/14/531873914.db2.gz HEUOCPAHMAFXDY-SECBINFHSA-N 1 0 382.262 1.056 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418972210 531874286 /nfs/dbraw/zinc/87/42/86/531874286.db2.gz YNKICZLTHLWXEO-CABZTGNLSA-N 1 0 387.267 1.068 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c(F)c1F ZINC000625019061 531874746 /nfs/dbraw/zinc/87/47/46/531874746.db2.gz VHDMKZURQKYHFC-AWEZNQCLSA-N 1 0 375.485 1.824 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000566058763 531877271 /nfs/dbraw/zinc/87/72/71/531877271.db2.gz OFGYNXHIQRWXFS-NSHDSACASA-N 1 0 393.285 1.744 20 0 GDADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000644041233 531877876 /nfs/dbraw/zinc/87/78/76/531877876.db2.gz ICWMXIYQGWWJTB-GFCCVEGCSA-N 1 0 393.481 1.262 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1Br ZINC000419005667 531878543 /nfs/dbraw/zinc/87/85/43/531878543.db2.gz GXRIRKBQORYBCM-SRVKXCTJSA-N 1 0 398.301 1.844 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1Br ZINC000419006595 531878887 /nfs/dbraw/zinc/87/88/87/531878887.db2.gz HTIQYSLLLDOGBQ-CMPLNLGQSA-N 1 0 384.274 1.503 20 0 GDADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1COCCN1CC(F)(F)F ZINC000566093242 531879019 /nfs/dbraw/zinc/87/90/19/531879019.db2.gz GBXBYURVKBGKSH-GFCCVEGCSA-N 1 0 378.420 1.812 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ncc(Br)s3)CC2)C1=O ZINC000644892060 531879707 /nfs/dbraw/zinc/87/97/07/531879707.db2.gz JLYVQQXHQSXLSP-JTQLQIEISA-N 1 0 387.303 1.331 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1Br ZINC000419010770 531880116 /nfs/dbraw/zinc/88/01/16/531880116.db2.gz QUIZWBLGFYZPCS-AAEUAGOBSA-N 1 0 398.301 1.975 20 0 GDADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)s1 ZINC000673581029 531880360 /nfs/dbraw/zinc/88/03/60/531880360.db2.gz QPDSXRKASXGBPA-ZDUSSCGKSA-N 1 0 390.575 1.107 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC[C@@H](O)C[N@H+](C)C2CC2)s1 ZINC000566108641 531880663 /nfs/dbraw/zinc/88/06/63/531880663.db2.gz XACULAVGESDZRO-CQSZACIVSA-N 1 0 375.560 1.323 20 0 GDADRO CS[C@@H]1CN(C(=O)CSCc2cc(=O)n3ccsc3n2)C[C@H]1[NH+](C)C ZINC000270497477 531880674 /nfs/dbraw/zinc/88/06/74/531880674.db2.gz PCZYVRKLWLBUNY-CHWSQXEVSA-N 1 0 398.579 1.493 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000419013591 531880649 /nfs/dbraw/zinc/88/06/49/531880649.db2.gz ZYDOVMKZYQPXDD-GVXVVHGQSA-N 1 0 398.301 1.879 20 0 GDADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000566102334 531880714 /nfs/dbraw/zinc/88/07/14/531880714.db2.gz IEZZKQYKTYXEOS-AWEZNQCLSA-N 1 0 387.527 1.113 20 0 GDADRO COc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)nc1I ZINC000270495617 531880851 /nfs/dbraw/zinc/88/08/51/531880851.db2.gz OYKYVLCRSVQBPG-UHFFFAOYSA-N 1 0 389.237 1.861 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000566101858 531881158 /nfs/dbraw/zinc/88/11/58/531881158.db2.gz SSPWOHJHIHMANO-CYBMUJFWSA-N 1 0 396.264 1.407 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000419020359 531881461 /nfs/dbraw/zinc/88/14/61/531881461.db2.gz KOCYDWHGVGVHFD-CHWSQXEVSA-N 1 0 382.258 1.242 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419025455 531883124 /nfs/dbraw/zinc/88/31/24/531883124.db2.gz SJNXJISQGWVHJC-OLZOCXBDSA-N 1 0 382.302 1.707 20 0 GDADRO CNC(=O)c1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1Br ZINC000672834836 531869417 /nfs/dbraw/zinc/86/94/17/531869417.db2.gz GHQHJAXKLPDDEZ-LLVKDONJSA-N 1 0 398.305 1.176 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1nc(C(F)(F)F)cs1 ZINC000419047965 531891193 /nfs/dbraw/zinc/89/11/93/531891193.db2.gz YZEIMECEMHVPPG-BBBLOLIVSA-N 1 0 376.404 1.550 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(I)cn1 ZINC000456026994 531891665 /nfs/dbraw/zinc/89/16/65/531891665.db2.gz FPSKQXKLDMAAQG-LBPRGKRZSA-N 1 0 389.237 1.263 20 0 GDADRO C[C@@H]1CCC[C@H](C)N(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH]cn2)C1 ZINC000566690416 531891851 /nfs/dbraw/zinc/89/18/51/531891851.db2.gz PSLOZENZSJRJNG-KGLIPLIRSA-N 1 0 392.547 1.772 20 0 GDADRO CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC[C@H]1[NH3+] ZINC000647006124 531892155 /nfs/dbraw/zinc/89/21/55/531892155.db2.gz LHTYCZVLXWLEIL-KFWWJZLASA-N 1 0 385.555 1.877 20 0 GDADRO CC[C@@H]([NH2+]C)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000595928749 531894023 /nfs/dbraw/zinc/89/40/23/531894023.db2.gz NJTDCPJRWLHMSO-WCQYABFASA-N 1 0 392.237 1.145 20 0 GDADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000595931900 531894318 /nfs/dbraw/zinc/89/43/18/531894318.db2.gz HZJWWTSTGTWKIO-OIBJUYFYSA-N 1 0 382.148 1.872 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419056363 531894648 /nfs/dbraw/zinc/89/46/48/531894648.db2.gz QYAXWNAGHHICCO-ZIAGYGMSSA-N 1 0 382.302 1.755 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419056970 531895058 /nfs/dbraw/zinc/89/50/58/531895058.db2.gz SVCYKOWCFJJTSS-SNVBAGLBSA-N 1 0 386.265 1.504 20 0 GDADRO [NH3+]C1CCC(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000647727105 531895706 /nfs/dbraw/zinc/89/57/06/531895706.db2.gz JFBUXDBJLGFUIW-UHFFFAOYSA-N 1 0 390.303 1.114 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1sc2c(c1I)CNC2 ZINC000595950370 531895984 /nfs/dbraw/zinc/89/59/84/531895984.db2.gz KZQULNJFHXUFRR-APPZFPTMSA-N 1 0 391.278 1.684 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419076420 531897733 /nfs/dbraw/zinc/89/77/33/531897733.db2.gz WBCOYEKXWGWLJJ-JTQLQIEISA-N 1 0 388.693 1.787 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000647732724 531898655 /nfs/dbraw/zinc/89/86/55/531898655.db2.gz VFFUICKTVGLFAD-WDEREUQCSA-N 1 0 379.404 1.179 20 0 GDADRO C[S@@](=O)C1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000567606055 531898860 /nfs/dbraw/zinc/89/88/60/531898860.db2.gz SLAJDIMIDMTZNH-LAJNKCICSA-N 1 0 380.279 1.829 20 0 GDADRO C[C@H](C(=O)N1CCC[NH2+]CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000567611260 531899390 /nfs/dbraw/zinc/89/93/90/531899390.db2.gz UOYNDBLXMCGNKT-SNVBAGLBSA-N 1 0 380.242 1.256 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419038623 531885672 /nfs/dbraw/zinc/88/56/72/531885672.db2.gz JVHQBFWFVIDGRS-NWDGAFQWSA-N 1 0 384.249 1.272 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000646022346 531887286 /nfs/dbraw/zinc/88/72/86/531887286.db2.gz VAOGHCYNOOHPGB-MRXNPFEDSA-N 1 0 389.905 1.240 20 0 GDADRO CC(C)(C)OC(=O)CCC1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000595719183 531887905 /nfs/dbraw/zinc/88/79/05/531887905.db2.gz OYFXFDHOAADQMT-UHFFFAOYSA-N 1 0 375.531 1.760 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368054154 531888257 /nfs/dbraw/zinc/88/82/57/531888257.db2.gz KBGSLOUOACYVKT-MNOVXSKESA-N 1 0 392.253 1.113 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419043780 531888597 /nfs/dbraw/zinc/88/85/97/531888597.db2.gz RRWNYPLBWHABGI-BXUZGUMPSA-N 1 0 386.265 1.838 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1nc(C2CC2)ncc1Br ZINC000368064236 531889987 /nfs/dbraw/zinc/88/99/87/531889987.db2.gz NDMJZQIRHFUKIU-RYUDHWBXSA-N 1 0 381.274 1.710 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419048486 531890944 /nfs/dbraw/zinc/89/09/44/531890944.db2.gz AEJBFKRNPWOWQN-TZMCWYRMSA-N 1 0 384.318 1.986 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000419158476 531905647 /nfs/dbraw/zinc/90/56/47/531905647.db2.gz XWCAIDGJRNNXGP-GLQYFDAESA-N 1 0 380.286 1.979 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000298638316 531905844 /nfs/dbraw/zinc/90/58/44/531905844.db2.gz KNFABWUGOMNAMF-JTQLQIEISA-N 1 0 378.420 1.673 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCc2cc(F)ccc2Br)[C@H]1C[NH3+] ZINC000419157078 531906325 /nfs/dbraw/zinc/90/63/25/531906325.db2.gz KRGCXILCKBIIHZ-YGRLFVJLSA-N 1 0 386.265 1.790 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCc2cn[nH]n2)C1 ZINC000647967418 531907390 /nfs/dbraw/zinc/90/73/90/531907390.db2.gz FGFNNJXMLBIQAJ-NSHDSACASA-N 1 0 379.262 1.855 20 0 GDADRO O=C(NCc1ccc(Br)cc1C(F)(F)F)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419162793 531907458 /nfs/dbraw/zinc/90/74/58/531907458.db2.gz VFGTYTYXMKUUIO-SNVBAGLBSA-N 1 0 394.191 1.562 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCc2cc(F)ccc2Br)C[C@@H]1C[NH3+] ZINC000419162065 531907632 /nfs/dbraw/zinc/90/76/32/531907632.db2.gz SZDUIHHEDLBRQX-PWSUYJOCSA-N 1 0 386.265 1.648 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000568491130 531907949 /nfs/dbraw/zinc/90/79/49/531907949.db2.gz GPDGOYLHYKYKNC-SWLSCSKDSA-N 1 0 395.301 1.631 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000568491707 531908161 /nfs/dbraw/zinc/90/81/61/531908161.db2.gz KVIXTJXMCUDOQP-NXEZZACHSA-N 1 0 378.420 1.927 20 0 GDADRO Cc1csc(C(=O)N2CCOC3(C[NH2+]C3)C2)c1I ZINC000596103895 531908543 /nfs/dbraw/zinc/90/85/43/531908543.db2.gz HKBARNBLYUBIQX-UHFFFAOYSA-N 1 0 378.235 1.476 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000568512182 531909809 /nfs/dbraw/zinc/90/98/09/531909809.db2.gz NJZBGFANWRJGTD-OCCSQVGLSA-N 1 0 389.518 1.046 20 0 GDADRO CC(C)(CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000419187942 531910129 /nfs/dbraw/zinc/91/01/29/531910129.db2.gz NXRSHXVPYRNNKG-CYBMUJFWSA-N 1 0 396.329 1.959 20 0 GDADRO CC1CC[NH+](CCNC(=O)C(=O)N(C)Cc2ccc(Br)o2)CC1 ZINC000283928960 531910750 /nfs/dbraw/zinc/91/07/50/531910750.db2.gz GSHHXMDHHYNLBU-UHFFFAOYSA-N 1 0 386.290 1.849 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419191522 531911432 /nfs/dbraw/zinc/91/14/32/531911432.db2.gz RVWVQEFJBLQOLF-UONOGXRCSA-N 1 0 395.301 1.012 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Br)s1 ZINC000675817189 531911552 /nfs/dbraw/zinc/91/15/52/531911552.db2.gz MUHSHLBEMGEJHM-LLVKDONJSA-N 1 0 396.376 1.738 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419198226 531911774 /nfs/dbraw/zinc/91/17/74/531911774.db2.gz KPMWDQRXHYDMTK-UHFFFAOYSA-N 1 0 382.302 1.713 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1Br ZINC000419193656 531912299 /nfs/dbraw/zinc/91/22/99/531912299.db2.gz UVYSFHVIFMZAHU-GFCCVEGCSA-N 1 0 382.302 1.793 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419205092 531912696 /nfs/dbraw/zinc/91/26/96/531912696.db2.gz KBFALNQMLINNLV-QWRGUYRKSA-N 1 0 384.274 1.283 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(OC(F)F)cc1 ZINC000675819534 531912975 /nfs/dbraw/zinc/91/29/75/531912975.db2.gz OGGNSQRYFMBTRW-CYBMUJFWSA-N 1 0 377.457 1.516 20 0 GDADRO O=C(NCCc1ccccc1Br)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419203453 531913054 /nfs/dbraw/zinc/91/30/54/531913054.db2.gz HYTWFRWJBZRLDK-CYBMUJFWSA-N 1 0 382.302 1.614 20 0 GDADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595964345 531900759 /nfs/dbraw/zinc/90/07/59/531900759.db2.gz YZVLZJUVHVTDKJ-CMPLNLGQSA-N 1 0 394.640 1.925 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000419109314 531901353 /nfs/dbraw/zinc/90/13/53/531901353.db2.gz MXMBIQYTTBRSJZ-NSHDSACASA-N 1 0 396.207 1.976 20 0 GDADRO COc1cccc(Cl)c1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000283839047 531901662 /nfs/dbraw/zinc/90/16/62/531901662.db2.gz ALXYGOZTPFATQW-QGZVFWFLSA-N 1 0 385.917 1.518 20 0 GDADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000674719846 531904868 /nfs/dbraw/zinc/90/48/68/531904868.db2.gz HNZVZYDZVRDJGE-UHFFFAOYSA-N 1 0 381.495 1.160 20 0 GDADRO NS(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000625867127 531917377 /nfs/dbraw/zinc/91/73/77/531917377.db2.gz AUNLAMZRCPPUDJ-SKDRFNHKSA-N 1 0 380.392 1.325 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000419256743 531917885 /nfs/dbraw/zinc/91/78/85/531917885.db2.gz HNELSWBIRGJCKD-OLZOCXBDSA-N 1 0 398.301 1.387 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C[NH2+]1 ZINC000625893068 531919577 /nfs/dbraw/zinc/91/95/77/531919577.db2.gz JEIMAKGSLQXGMP-RYUDHWBXSA-N 1 0 398.305 1.943 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419261614 531919878 /nfs/dbraw/zinc/91/98/78/531919878.db2.gz QVNHSPUARMYTOD-GFCCVEGCSA-N 1 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CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000626167698 531925111 /nfs/dbraw/zinc/92/51/11/531925111.db2.gz AXPATCDPJFULFW-GFCCVEGCSA-N 1 0 384.889 1.109 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000284070201 531926050 /nfs/dbraw/zinc/92/60/50/531926050.db2.gz OMIVEJBMVLZAEF-CJNGLKHVSA-N 1 0 396.329 1.906 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419249748 531916328 /nfs/dbraw/zinc/91/63/28/531916328.db2.gz PMAZKKBRUWOSOO-GFCCVEGCSA-N 1 0 386.315 1.828 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419236982 531916348 /nfs/dbraw/zinc/91/63/48/531916348.db2.gz BOTSZADCMKMFSY-CYBMUJFWSA-N 1 0 398.326 1.970 20 0 GDADRO CC[N@@H+]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C[C@H]1C ZINC000677181925 531916405 /nfs/dbraw/zinc/91/64/05/531916405.db2.gz FHUNAHJERAGDOW-GFCCVEGCSA-N 1 0 393.285 1.712 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419237706 531916930 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CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(CS(C)(=O)=O)c(C)s1 ZINC000570107690 531934934 /nfs/dbraw/zinc/93/49/34/531934934.db2.gz TZEARQGJNLAUSC-CQSZACIVSA-N 1 0 376.544 1.424 20 0 GDADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419473486 531935116 /nfs/dbraw/zinc/93/51/16/531935116.db2.gz DBABASIWGANACG-QWRGUYRKSA-N 1 0 386.265 1.443 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000570125418 531935169 /nfs/dbraw/zinc/93/51/69/531935169.db2.gz PYJANUYFKGAFKA-LRDDRELGSA-N 1 0 382.258 1.058 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000419577817 531936418 /nfs/dbraw/zinc/93/64/18/531936418.db2.gz WWSQBUFJYPBMEQ-LLVKDONJSA-N 1 0 376.284 1.393 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000570306459 531936578 /nfs/dbraw/zinc/93/65/78/531936578.db2.gz DBSNFFRKRLCDNJ-KGLIPLIRSA-N 1 0 397.317 1.706 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)[C@H]1C[NH3+] ZINC000419569599 531936607 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C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570868918 531942998 /nfs/dbraw/zinc/94/29/98/531942998.db2.gz ZJVWHDQTXOSQAP-BYCMXARLSA-N 1 0 395.301 1.334 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)Oc1ccc(Br)cc1 ZINC000419624175 531943959 /nfs/dbraw/zinc/94/39/59/531943959.db2.gz VIAMHNTXDIXNQI-BZPMIXESSA-N 1 0 398.301 1.589 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000419624165 531943994 /nfs/dbraw/zinc/94/39/94/531943994.db2.gz VHSXCKUALYMNMV-CHWSQXEVSA-N 1 0 398.301 1.448 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C[C@H]1[NH+](C)C ZINC000270933643 531945046 /nfs/dbraw/zinc/94/50/46/531945046.db2.gz DCVPYZIDNXVPHK-KGLIPLIRSA-N 1 0 386.930 1.949 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419627460 531945100 /nfs/dbraw/zinc/94/51/00/531945100.db2.gz KPLYAXWEQQFHRL-VQISRLSMSA-N 1 0 398.301 1.495 20 0 GDADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)C(F)F ZINC000627097181 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ISASDNOXCJKUEQ-CMPLNLGQSA-N 1 0 384.274 1.503 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271124136 531970031 /nfs/dbraw/zinc/97/00/31/531970031.db2.gz QDXLEZXQAKBWEO-CYBMUJFWSA-N 1 0 389.905 1.357 20 0 GDADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000419811038 531972483 /nfs/dbraw/zinc/97/24/83/531972483.db2.gz CBJASPCOGYZISP-OAHLLOKOSA-N 1 0 397.317 1.119 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000419826131 531973317 /nfs/dbraw/zinc/97/33/17/531973317.db2.gz QNVYNBJNSCAOQQ-JMGFVUJMSA-N 1 0 394.313 1.692 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000419825365 531974037 /nfs/dbraw/zinc/97/40/37/531974037.db2.gz AXDXMBYDOYCGLM-AWEZNQCLSA-N 1 0 384.274 1.204 20 0 GDADRO CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H](O)C(C)C ZINC000419818619 531974087 /nfs/dbraw/zinc/97/40/87/531974087.db2.gz MLKSDLDJAIHSED-GXTWGEPZSA-N 1 0 379.320 1.982 20 0 GDADRO 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CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000657060893 531994434 /nfs/dbraw/zinc/99/44/34/531994434.db2.gz JHVADFDVIXJVBY-LLVKDONJSA-N 1 0 393.506 1.348 20 0 GDADRO COc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc(Br)c1OC ZINC000419998279 531994572 /nfs/dbraw/zinc/99/45/72/531994572.db2.gz MOKQDYAGSGLSEG-INIZCTEOSA-N 1 0 389.290 1.899 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000419863700 531979349 /nfs/dbraw/zinc/97/93/49/531979349.db2.gz IAZZZEOQSCQJMA-LBPRGKRZSA-N 1 0 387.311 1.582 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419864083 531979786 /nfs/dbraw/zinc/97/97/86/531979786.db2.gz RXHVSIRLYMHVSB-CYBMUJFWSA-N 1 0 382.302 1.913 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419878161 531980656 /nfs/dbraw/zinc/98/06/56/531980656.db2.gz YOIHPFCCSPAKFI-BONVTDFDSA-N 1 0 380.286 1.748 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000419878519 531980811 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O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2cccc(Br)c2C1 ZINC000419922688 531987023 /nfs/dbraw/zinc/98/70/23/531987023.db2.gz AJSUGWDVSQDNBI-ZDUSSCGKSA-N 1 0 394.313 1.840 20 0 GDADRO C[C@@H]1CN(C(=O)NCCOc2ncc(Cl)cc2Cl)C[C@H](C)[N@H+]1CCO ZINC000458590481 531988470 /nfs/dbraw/zinc/98/84/70/531988470.db2.gz WLZVYNLKMKAGKD-TXEJJXNPSA-N 1 0 391.299 1.864 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000419941129 531988762 /nfs/dbraw/zinc/98/87/62/531988762.db2.gz WFDYQNBXIVTZBR-LLVKDONJSA-N 1 0 398.276 1.731 20 0 GDADRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc3c(c(Br)c2)OCO3)[N@H+](C)C1 ZINC000284761838 531988807 /nfs/dbraw/zinc/98/88/07/531988807.db2.gz WMRDVTDFEMLHPT-RYUDHWBXSA-N 1 0 385.258 1.969 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000574570670 531995915 /nfs/dbraw/zinc/99/59/15/531995915.db2.gz UYYGHGBXFXGIOQ-HUUCEWRRSA-N 1 0 396.285 1.217 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000574577550 531996432 /nfs/dbraw/zinc/99/64/32/531996432.db2.gz BMZYTVRPUKWQSO-JTQLQIEISA-N 1 0 380.388 1.770 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C[C@@H]1[NH+](C)C ZINC000370613530 531996504 /nfs/dbraw/zinc/99/65/04/531996504.db2.gz BYIYFISMTSIRCG-OWCLPIDISA-N 1 0 381.567 1.786 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420112720 532002721 /nfs/dbraw/zinc/00/27/21/532002721.db2.gz DNNZRZOUTKBIGT-BXUZGUMPSA-N 1 0 398.301 1.673 20 0 GDADRO Cc1nc(N[C@@H]2CN(c3ccc(Br)cc3)C2=O)nc(N(C)C)n1 ZINC000574893285 532000637 /nfs/dbraw/zinc/00/06/37/532000637.db2.gz XFUNKKLAZFOEQD-GFCCVEGCSA-N 1 0 377.246 1.836 20 0 GDADRO Cc1nc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)sc1Br ZINC000458928735 532001067 /nfs/dbraw/zinc/00/10/67/532001067.db2.gz NGNGOQDGQSXIAT-ZJUUUORDSA-N 1 0 391.335 1.811 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420118010 532004142 /nfs/dbraw/zinc/00/41/42/532004142.db2.gz JSIWMNDNLRWQHV-UHFFFAOYSA-N 1 0 382.302 1.913 20 0 GDADRO COC(=O)c1oc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000599101661 532004756 /nfs/dbraw/zinc/00/47/56/532004756.db2.gz NUVJEMNLRDXPPF-UWVGGRQHSA-N 1 0 384.376 1.522 20 0 GDADRO CCN(CC[NH3+])S(=O)(=O)c1ccc(Cl)cc1I ZINC000599099091 532004760 /nfs/dbraw/zinc/00/47/60/532004760.db2.gz STEMSOFFTOIOOV-UHFFFAOYSA-N 1 0 388.658 1.914 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2nn(C)cc2Br)CC1 ZINC000459024361 532005524 /nfs/dbraw/zinc/00/55/24/532005524.db2.gz OHTDCDLJDHICBP-LBPRGKRZSA-N 1 0 388.310 1.075 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420143756 532005853 /nfs/dbraw/zinc/00/58/53/532005853.db2.gz YPSAXFFPNLPNBH-UHFFFAOYSA-N 1 0 398.276 1.973 20 0 GDADRO CS(=O)(=O)N(c1ccc(OCC[NH2+]C2CCCCC2)cc1)S(C)(=O)=O ZINC000271362923 532007005 /nfs/dbraw/zinc/00/70/05/532007005.db2.gz AEORHKCKPRZBTN-UHFFFAOYSA-N 1 0 390.527 1.713 20 0 GDADRO [NH3+]C[C@H]1CN(c2ncnc3ccc(I)cc32)CCCO1 ZINC000574976502 532007702 /nfs/dbraw/zinc/00/77/02/532007702.db2.gz CFCRJAZZZNLCHK-NSHDSACASA-N 1 0 384.221 1.788 20 0 GDADRO CCC[C@H](NS(=O)(=O)CCC[NH+](C)C)C(=O)N1CCc2sccc2C1 ZINC000631885902 532007833 /nfs/dbraw/zinc/00/78/33/532007833.db2.gz CMJZBMVPXPWVFU-HNNXBMFYSA-N 1 0 387.571 1.673 20 0 GDADRO [NH3+]C[C@@H]1CN(c2ncnc3ccc(I)cc32)CCCO1 ZINC000574976501 532007846 /nfs/dbraw/zinc/00/78/46/532007846.db2.gz CFCRJAZZZNLCHK-LLVKDONJSA-N 1 0 384.221 1.788 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420219938 532009692 /nfs/dbraw/zinc/00/96/92/532009692.db2.gz XWSWQVUGZZMLCG-IIAWOOMASA-N 1 0 394.313 1.912 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420206458 532009827 /nfs/dbraw/zinc/00/98/27/532009827.db2.gz JXPFFBHDZSWITP-SQWLQELKSA-N 1 0 394.313 1.912 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000631955224 532008877 /nfs/dbraw/zinc/00/88/77/532008877.db2.gz GRDFBAOESGIKRV-LDYMZIIASA-N 1 0 388.291 1.219 20 0 GDADRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631956603 532009237 /nfs/dbraw/zinc/00/92/37/532009237.db2.gz XUKNFIQEQVYSFP-UHFFFAOYSA-N 1 0 376.347 1.937 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000657581556 532010577 /nfs/dbraw/zinc/01/05/77/532010577.db2.gz YDCAYQHMGUOSBH-QMMMGPOBSA-N 1 0 376.201 1.876 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000632144794 532012030 /nfs/dbraw/zinc/01/20/30/532012030.db2.gz MBXULBXQMJGDQI-LBPRGKRZSA-N 1 0 380.436 1.791 20 0 GDADRO OCCO[C@]1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCOC1 ZINC000657597901 532012058 /nfs/dbraw/zinc/01/20/58/532012058.db2.gz SYPFUUMHBUQKNJ-KRWDZBQOSA-N 1 0 384.270 1.983 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000657605938 532014521 /nfs/dbraw/zinc/01/45/21/532014521.db2.gz RJBRZPHCGPPDEV-JKSUJKDBSA-N 1 0 386.901 1.346 20 0 GDADRO COc1cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(OC)cc1Br ZINC000420450387 532014776 /nfs/dbraw/zinc/01/47/76/532014776.db2.gz GZUFDEZOONACTC-ZJUUUORDSA-N 1 0 393.303 1.872 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)[C@H]1SC ZINC000459425320 532014888 /nfs/dbraw/zinc/01/48/88/532014888.db2.gz HDWZSSUCNVQQAI-BZUAXINKSA-N 1 0 388.559 1.072 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)C1 ZINC000420447118 532013967 /nfs/dbraw/zinc/01/39/67/532013967.db2.gz CDNQHNOXSKSNMI-YUMQZZPRSA-N 1 0 389.275 1.437 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000420456118 532017402 /nfs/dbraw/zinc/01/74/02/532017402.db2.gz YUGHFCAMEMXDFQ-HNNXBMFYSA-N 1 0 389.543 1.123 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000459449433 532015780 /nfs/dbraw/zinc/01/57/80/532015780.db2.gz NBARINRQVZBOIX-UHFFFAOYSA-N 1 0 382.511 1.991 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)c(Br)c1 ZINC000420456079 532017914 /nfs/dbraw/zinc/01/79/14/532017914.db2.gz YPZBYQFHTMDAOV-UHFFFAOYSA-N 1 0 391.287 1.656 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000576252206 532019556 /nfs/dbraw/zinc/01/95/56/532019556.db2.gz WQTZATMRLWPAOK-UHFFFAOYSA-N 1 0 384.267 1.984 20 0 GDADRO CN(C)S(=O)(=O)NCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000459538552 532019587 /nfs/dbraw/zinc/01/95/87/532019587.db2.gz OHGCZHBORODYFJ-UHFFFAOYSA-N 1 0 394.310 1.820 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)c1OC ZINC000420471184 532020511 /nfs/dbraw/zinc/02/05/11/532020511.db2.gz XZKHQIDUCMBNLY-SECBINFHSA-N 1 0 386.804 1.396 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000285016123 532020026 /nfs/dbraw/zinc/02/00/26/532020026.db2.gz MMQACWBLDJYMRB-CYBMUJFWSA-N 1 0 384.274 1.409 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)N(C)CC[NH3+] ZINC000420469618 532020091 /nfs/dbraw/zinc/02/00/91/532020091.db2.gz JYBOOENWNYLNAI-UHFFFAOYSA-N 1 0 381.292 1.444 20 0 GDADRO C[C@H]1CN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C[C@H](C)[NH2+]1 ZINC000576519286 532023988 /nfs/dbraw/zinc/02/39/88/532023988.db2.gz GIAWKUWYMGDUTB-UWVGGRQHSA-N 1 0 380.297 1.481 20 0 GDADRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000576518447 532024053 /nfs/dbraw/zinc/02/40/53/532024053.db2.gz WKDQAMQSVJJZQZ-VIFPVBQESA-N 1 0 399.332 1.258 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C[C@H](C)[NH2+]1 ZINC000576519274 532024495 /nfs/dbraw/zinc/02/44/95/532024495.db2.gz GIAWKUWYMGDUTB-AOOOYVTPSA-N 1 0 380.297 1.481 20 0 GDADRO COCCNC(=O)C1(NCc2ccc(C(=O)OC)cc2Br)CC1 ZINC000459760536 532027367 /nfs/dbraw/zinc/02/73/67/532027367.db2.gz SQYMCVKWGBVZQB-UHFFFAOYSA-N 1 0 385.258 1.621 20 0 GDADRO C[C@H](N[C@@H](CO)c1ccnn1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000459760179 532027661 /nfs/dbraw/zinc/02/76/61/532027661.db2.gz WOHMOIDUIKZYLU-WFASDCNBSA-N 1 0 395.301 1.853 20 0 GDADRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271572863 532027859 /nfs/dbraw/zinc/02/78/59/532027859.db2.gz ZKKYPAQXPROWMW-LLVKDONJSA-N 1 0 385.454 1.395 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576849129 532028866 /nfs/dbraw/zinc/02/88/66/532028866.db2.gz LOTVCJFJCGKECO-YPMHNXCESA-N 1 0 387.297 1.804 20 0 GDADRO CN(C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C1(C[NH3+])CCC1 ZINC000576936627 532031136 /nfs/dbraw/zinc/03/11/36/532031136.db2.gz BKIBYKWHWFFLIN-UHFFFAOYSA-N 1 0 393.278 1.945 20 0 GDADRO C[C@H]1C[NH+](CC2CCN(c3cnn(C)c(=O)c3Br)CC2)C[C@H](C)O1 ZINC000301259822 532031467 /nfs/dbraw/zinc/03/14/67/532031467.db2.gz USKHYGOWOKHVHX-STQMWFEESA-N 1 0 399.333 1.868 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000577068076 532032176 /nfs/dbraw/zinc/03/21/76/532032176.db2.gz LXBFYIHKAUFOCL-SNVBAGLBSA-N 1 0 382.404 1.968 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420675833 532037049 /nfs/dbraw/zinc/03/70/49/532037049.db2.gz KJGIJQNEWSIUJT-NSHDSACASA-N 1 0 381.420 1.341 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1cccc(I)c1 ZINC000599706405 532037389 /nfs/dbraw/zinc/03/73/89/532037389.db2.gz PVPUSWIMDWOFHV-GFCCVEGCSA-N 1 0 375.210 1.479 20 0 GDADRO C[C@@H]([NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C1CCC1 ZINC000271683041 532039575 /nfs/dbraw/zinc/03/95/75/532039575.db2.gz JRKFDYRHEWPBDK-CYBMUJFWSA-N 1 0 390.527 1.569 20 0 GDADRO CS[C@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)C[C@H]1[NH+](C)C ZINC000271678302 532040118 /nfs/dbraw/zinc/04/01/18/532040118.db2.gz YKKODTOXFLPVJM-CVEARBPZSA-N 1 0 384.571 1.738 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000577948260 532043097 /nfs/dbraw/zinc/04/30/97/532043097.db2.gz UHBCUSIJERBYGI-MRXNPFEDSA-N 1 0 384.885 1.655 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000420745691 532049162 /nfs/dbraw/zinc/04/91/62/532049162.db2.gz ZJLXTBSOHYHNCF-CQSZACIVSA-N 1 0 389.543 1.090 20 0 GDADRO O=c1cc(C[NH2+][C@@H](CO)C2CCOCC2)nc2ccc(Br)cn12 ZINC000578463046 532049884 /nfs/dbraw/zinc/04/98/84/532049884.db2.gz OHDWOGRWOIWZIG-AWEZNQCLSA-N 1 0 382.258 1.334 20 0 GDADRO C[NH2+]CCOCCN(C)CC(=O)Nc1ccc(I)cc1 ZINC000600729431 532052521 /nfs/dbraw/zinc/05/25/21/532052521.db2.gz GSRNTUNRLHRTJS-UHFFFAOYSA-N 1 0 391.253 1.398 20 0 GDADRO C[C@@](O)(C[C@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000634702127 532055007 /nfs/dbraw/zinc/05/50/07/532055007.db2.gz BBHVQUMEGIHTTO-DOTOQJQBSA-N 1 0 385.302 1.681 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634716008 532055434 /nfs/dbraw/zinc/05/54/34/532055434.db2.gz NHDAXOAADGLKAN-STQMWFEESA-N 1 0 385.313 1.651 20 0 GDADRO CN1CCN(C(=O)CC[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634705395 532055571 /nfs/dbraw/zinc/05/55/71/532055571.db2.gz ZZHKVTMFULJFPP-HNNXBMFYSA-N 1 0 390.311 1.487 20 0 GDADRO O=C(NCCS(=O)(=O)N1CCSCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000372970084 532056058 /nfs/dbraw/zinc/05/60/58/532056058.db2.gz QDTIGYJVNUBEEU-MRXNPFEDSA-N 1 0 389.587 1.278 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)co1 ZINC000579127184 532056188 /nfs/dbraw/zinc/05/61/88/532056188.db2.gz TUJOKAMJEYCNGI-AWEZNQCLSA-N 1 0 383.857 1.628 20 0 GDADRO C[N@H+](CCCCNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1)C1CC1 ZINC000422454077 532060746 /nfs/dbraw/zinc/06/07/46/532060746.db2.gz KNHNORQBXFQODI-CQSZACIVSA-N 1 0 382.555 1.750 20 0 GDADRO O[C@H](C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)COc1ccccc1Cl ZINC000579465920 532060964 /nfs/dbraw/zinc/06/09/64/532060964.db2.gz WMGBZIFXDPEUSE-IUODEOHRSA-N 1 0 382.810 1.932 20 0 GDADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)C1 ZINC000635410687 532063217 /nfs/dbraw/zinc/06/32/17/532063217.db2.gz LBGXEIYLMTYSQX-JHJVBQTASA-N 1 0 384.464 1.836 20 0 GDADRO CC1CC[NH+](CCCCNC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000635347376 532061678 /nfs/dbraw/zinc/06/16/78/532061678.db2.gz ZAOORZFHWCOUIN-KGLIPLIRSA-N 1 0 384.464 1.838 20 0 GDADRO COC(=O)c1sc2ccccc2c1CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000601339712 532062294 /nfs/dbraw/zinc/06/22/94/532062294.db2.gz GLWHHBJAPBANBQ-LLVKDONJSA-N 1 0 384.479 1.096 20 0 GDADRO CCOC(=O)[C@H](NS(=O)(=O)N(C)C1CC[NH2+]CC1)C1CCCCCC1 ZINC000601343410 532062348 /nfs/dbraw/zinc/06/23/48/532062348.db2.gz NMGJAZZBGKFXHT-MRXNPFEDSA-N 1 0 375.535 1.407 20 0 GDADRO Cc1c(Br)cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c(=O)n1C ZINC000373131807 532064548 /nfs/dbraw/zinc/06/45/48/532064548.db2.gz STXVFZFQQQHCOQ-ZDUSSCGKSA-N 1 0 398.301 1.439 20 0 GDADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CSc1nnnn1CC(F)(F)F ZINC000468479891 532067655 /nfs/dbraw/zinc/06/76/55/532067655.db2.gz RDGGTANLVYSDGI-JTQLQIEISA-N 1 0 380.440 1.564 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000602041930 532069678 /nfs/dbraw/zinc/06/96/78/532069678.db2.gz BKCACVJQUHYIAR-QMMMGPOBSA-N 1 0 376.240 1.785 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 ZINC000271977082 532068608 /nfs/dbraw/zinc/06/86/08/532068608.db2.gz NUBNNXDVQKROIN-UHFFFAOYSA-N 1 0 387.299 1.844 20 0 GDADRO Cc1c(Br)cccc1C(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC000321061278 532068645 /nfs/dbraw/zinc/06/86/45/532068645.db2.gz IYDVYYUYGUWVMZ-UHFFFAOYSA-N 1 0 382.302 1.994 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423087897 532070649 /nfs/dbraw/zinc/07/06/49/532070649.db2.gz PABHSOZHEQWJGR-ZIAGYGMSSA-N 1 0 380.286 1.475 20 0 GDADRO O=C(CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1)N1CCOCC1 ZINC000322878394 532071609 /nfs/dbraw/zinc/07/16/09/532071609.db2.gz YBRVAHCBXMADOX-CQSZACIVSA-N 1 0 387.274 1.027 20 0 GDADRO O=c1ccc(Br)cn1CC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000580754840 532074733 /nfs/dbraw/zinc/07/47/33/532074733.db2.gz SLSHCXNAKZOPHH-UHFFFAOYSA-N 1 0 378.274 1.791 20 0 GDADRO O=C(C(=O)N1CCc2c(Br)cccc2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423229667 532074465 /nfs/dbraw/zinc/07/44/65/532074465.db2.gz HOTKYXIJBMMFGE-SFHVURJKSA-N 1 0 392.297 1.546 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000423204121 532074482 /nfs/dbraw/zinc/07/44/82/532074482.db2.gz NQRPCPPBQUWDNO-GJZGRUSLSA-N 1 0 396.285 1.299 20 0 GDADRO COc1ccc(I)c(NC(=O)CN2CC[NH2+]CC2)c1 ZINC000602449224 532077670 /nfs/dbraw/zinc/07/76/70/532077670.db2.gz PGJYPXUNIIPIND-UHFFFAOYSA-N 1 0 375.210 1.144 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000272096867 532078316 /nfs/dbraw/zinc/07/83/16/532078316.db2.gz MUKLQSHUJULAQR-BXKDBHETSA-N 1 0 396.211 1.807 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2F)[C@@H](C)C[NH2+]1 ZINC000423638697 532078476 /nfs/dbraw/zinc/07/84/76/532078476.db2.gz VEICYJRVDPZBLW-QWRGUYRKSA-N 1 0 386.265 1.755 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000285374691 532075800 /nfs/dbraw/zinc/07/58/00/532075800.db2.gz WCIDYWFGTOQXAT-GXTWGEPZSA-N 1 0 380.539 1.360 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423465050 532075920 /nfs/dbraw/zinc/07/59/20/532075920.db2.gz BYYKJYGZSBSTOE-VXGBXAGGSA-N 1 0 380.286 1.702 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)c1 ZINC000602448804 532076645 /nfs/dbraw/zinc/07/66/45/532076645.db2.gz QDFROQGAYUFXAD-JOCHJYFZSA-N 1 0 389.315 1.575 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000581107492 532076922 /nfs/dbraw/zinc/07/69/22/532076922.db2.gz ZVJXOSDZZFNDHE-QWRGUYRKSA-N 1 0 379.573 1.945 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602446939 532076962 /nfs/dbraw/zinc/07/69/62/532076962.db2.gz HBZZMXRWEWBQQV-AMXDTQDGSA-N 1 0 387.343 1.997 20 0 GDADRO COC(=O)[C@@]1(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CCc2cc(Br)ccc2C1 ZINC000602544330 532079506 /nfs/dbraw/zinc/07/95/06/532079506.db2.gz PWKVKNMTKRAHFG-HACGYAERSA-N 1 0 381.270 1.703 20 0 GDADRO [NH3+]C1(CNC(=O)c2ccc(F)cc2I)CCOCC1 ZINC000602537553 532079908 /nfs/dbraw/zinc/07/99/08/532079908.db2.gz FTRIXRUNIWRNPS-UHFFFAOYSA-N 1 0 378.185 1.668 20 0 GDADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423731804 532081014 /nfs/dbraw/zinc/08/10/14/532081014.db2.gz YMJYZAUZBXRKFU-UHFFFAOYSA-N 1 0 394.313 1.805 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423793818 532081160 /nfs/dbraw/zinc/08/11/60/532081160.db2.gz CVKKKIIDEXURIY-JTQLQIEISA-N 1 0 382.262 1.889 20 0 GDADRO C[C@@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000424078999 532082228 /nfs/dbraw/zinc/08/22/28/532082228.db2.gz TYBUBTBCFRVXCC-GMTAPVOTSA-N 1 0 379.935 1.512 20 0 GDADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)cnn1C ZINC000424097915 532082900 /nfs/dbraw/zinc/08/29/00/532082900.db2.gz SBZSGHPAAYTCMN-GOEBONIOSA-N 1 0 384.527 1.660 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000470596810 532084880 /nfs/dbraw/zinc/08/48/80/532084880.db2.gz VFICPAAYYUNWQJ-UHFFFAOYSA-N 1 0 395.301 1.987 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000272253947 532087858 /nfs/dbraw/zinc/08/78/58/532087858.db2.gz MAEBUQPCLZDVJQ-XQQFMLRXSA-N 1 0 380.286 1.998 20 0 GDADRO COc1cnc(NC[C@@H](C)N2CC[NH+](C)CC2)c(I)c1 ZINC000603286505 532088996 /nfs/dbraw/zinc/08/89/96/532088996.db2.gz ISSBOPKVKGDUOE-LLVKDONJSA-N 1 0 390.269 1.743 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n(C)c1 ZINC000272267067 532089082 /nfs/dbraw/zinc/08/90/82/532089082.db2.gz NJRLOKNRUQMPGO-HNNXBMFYSA-N 1 0 384.527 1.370 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000424396539 532091033 /nfs/dbraw/zinc/09/10/33/532091033.db2.gz XRWJYTJZHJSBFT-CYBMUJFWSA-N 1 0 385.555 1.579 20 0 GDADRO CN(CCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)S(=O)(=O)c1cccs1 ZINC000272311039 532091271 /nfs/dbraw/zinc/09/12/71/532091271.db2.gz AIIDDQGUOFTVSC-ZIAGYGMSSA-N 1 0 386.543 1.104 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000272335584 532092582 /nfs/dbraw/zinc/09/25/82/532092582.db2.gz WFRGLDHUKZGQHO-NEPJUHHUSA-N 1 0 393.285 1.745 20 0 GDADRO Cc1cc(Br)ccc1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000272342375 532092633 /nfs/dbraw/zinc/09/26/33/532092633.db2.gz PLFZPEUODAZRQM-HNNXBMFYSA-N 1 0 382.302 1.756 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000603907056 532096808 /nfs/dbraw/zinc/09/68/08/532096808.db2.gz JPFKJMJSTBFQOO-GFCCVEGCSA-N 1 0 389.315 1.633 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1COCCN1C ZINC000424521623 532097373 /nfs/dbraw/zinc/09/73/73/532097373.db2.gz SNVSYYJZDYSLRR-MRXNPFEDSA-N 1 0 399.333 1.716 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)[N@@H+]1CCCC[C@H]1C ZINC000604763975 532098744 /nfs/dbraw/zinc/09/87/44/532098744.db2.gz MLGXBWFZWHVKKZ-HUUCEWRRSA-N 1 0 388.555 1.772 20 0 GDADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)[C@@H](C)C1 ZINC000329296890 532102716 /nfs/dbraw/zinc/10/27/16/532102716.db2.gz OXTQBEIAJYXGQT-GJZGRUSLSA-N 1 0 385.555 1.844 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000272620675 532107741 /nfs/dbraw/zinc/10/77/41/532107741.db2.gz UQDXGQDBLCNXAN-RYUDHWBXSA-N 1 0 389.905 1.087 20 0 GDADRO CCS(=O)(=O)Nc1ccc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000272636435 532108209 /nfs/dbraw/zinc/10/82/09/532108209.db2.gz XWPDGXWHJQUHHN-LSDHHAIUSA-N 1 0 386.543 1.958 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C1=CC[N@H+](C)CC1 ZINC000272666366 532110053 /nfs/dbraw/zinc/11/00/53/532110053.db2.gz HVJWFYNQOWRTOC-DZGCQCFKSA-N 1 0 383.539 1.668 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CCO1 ZINC000374086497 532110868 /nfs/dbraw/zinc/11/08/68/532110868.db2.gz IGULLXCMKAPZPV-GXTWGEPZSA-N 1 0 390.889 1.104 20 0 GDADRO COc1cc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc(Br)c1OC ZINC000374321906 532118047 /nfs/dbraw/zinc/11/80/47/532118047.db2.gz AHHMWBYOZVQQOE-CQSZACIVSA-N 1 0 398.301 1.472 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cc2[nH]cnc21 ZINC000374320813 532118133 /nfs/dbraw/zinc/11/81/33/532118133.db2.gz NBMCWNLPOAFHME-NEPJUHHUSA-N 1 0 379.258 1.918 20 0 GDADRO CN(C)C(=O)CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425097189 532118487 /nfs/dbraw/zinc/11/84/87/532118487.db2.gz GZJHVVLVYVEEND-UHFFFAOYSA-N 1 0 385.306 1.864 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cc2[nH]cnc21 ZINC000374320814 532118555 /nfs/dbraw/zinc/11/85/55/532118555.db2.gz NBMCWNLPOAFHME-NWDGAFQWSA-N 1 0 379.258 1.918 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000285896649 532118729 /nfs/dbraw/zinc/11/87/29/532118729.db2.gz HHGSNMJMSHMOIN-GFCCVEGCSA-N 1 0 387.322 1.593 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000285897129 532118825 /nfs/dbraw/zinc/11/88/25/532118825.db2.gz XXSPKHJIWKMOGA-UHFFFAOYSA-N 1 0 386.290 1.777 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2sccc2Br)C[N@@H+]1C1CC1 ZINC000285907000 532119718 /nfs/dbraw/zinc/11/97/18/532119718.db2.gz NGWROPFKJGFSAX-NXEZZACHSA-N 1 0 386.315 1.868 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000330369397 532120848 /nfs/dbraw/zinc/12/08/48/532120848.db2.gz WZNVEHZBZPRELB-UHFFFAOYSA-N 1 0 379.324 1.564 20 0 GDADRO O=C(NC[C@H](O)c1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000374413335 532121483 /nfs/dbraw/zinc/12/14/83/532121483.db2.gz BQHIZDPFKWESNG-PMPSAXMXSA-N 1 0 398.301 1.645 20 0 GDADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000330404553 532121910 /nfs/dbraw/zinc/12/19/10/532121910.db2.gz DJIGNUAQAZHDLE-LSDHHAIUSA-N 1 0 375.535 1.359 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C[C@@H]1[NH+]1CCCC1 ZINC000330093124 532114024 /nfs/dbraw/zinc/11/40/24/532114024.db2.gz RHWWSXIWUYKETE-YOEHRIQHSA-N 1 0 384.523 1.658 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nc2ncc(Br)cn2n1 ZINC000285825347 532116175 /nfs/dbraw/zinc/11/61/75/532116175.db2.gz NYGQEMVZTJAJNI-JQWIXIFHSA-N 1 0 379.262 1.586 20 0 GDADRO CC[NH+]1CCC(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000330502716 532127101 /nfs/dbraw/zinc/12/71/01/532127101.db2.gz XJGHSLHFCJICCO-UHFFFAOYSA-N 1 0 387.933 1.903 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000273013850 532128810 /nfs/dbraw/zinc/12/88/10/532128810.db2.gz JTXMHDJKRBVVRY-SNVBAGLBSA-N 1 0 390.303 1.039 20 0 GDADRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000273037781 532130211 /nfs/dbraw/zinc/13/02/11/532130211.db2.gz OGAIGPLLROIFCM-SECBINFHSA-N 1 0 392.308 1.773 20 0 GDADRO O=C(NC[C@H]1CC[NH2+]C1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000273037786 532130492 /nfs/dbraw/zinc/13/04/92/532130492.db2.gz OGAIGPLLROIFCM-VIFPVBQESA-N 1 0 392.308 1.773 20 0 GDADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H](CO)c2ccc(Br)cc2)C1 ZINC000273097734 532133561 /nfs/dbraw/zinc/13/35/61/532133561.db2.gz LJUYXVFUTHMKLB-HZPDHXFCSA-N 1 0 398.301 1.199 20 0 GDADRO COc1ccc(Cl)cc1C(C)(C)[NH2+]CCNS(=O)(=O)c1cnn(C)c1 ZINC000425510479 532140779 /nfs/dbraw/zinc/14/07/79/532140779.db2.gz KGKSBTOWBKCJBC-UHFFFAOYSA-N 1 0 386.905 1.885 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000273317898 532144281 /nfs/dbraw/zinc/14/42/81/532144281.db2.gz OVHBFUPVGTTYEZ-OAHLLOKOSA-N 1 0 390.933 1.744 20 0 GDADRO CS[C@@H]1CN(Cc2csc(CS(C)(=O)=O)n2)C[C@H]1[NH+]1CCCC1 ZINC000331532312 532148073 /nfs/dbraw/zinc/14/80/73/532148073.db2.gz HAUBSLRYIQXCEO-ZIAGYGMSSA-N 1 0 375.585 1.699 20 0 GDADRO O=C(CNC(=O)C[N@H+]1CCC[C@H]1CCO)Nc1ccccc1Br ZINC000426227686 532165388 /nfs/dbraw/zinc/16/53/88/532165388.db2.gz NGKHIOILRJOAIK-LBPRGKRZSA-N 1 0 384.274 1.351 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000332142817 532166089 /nfs/dbraw/zinc/16/60/89/532166089.db2.gz KXOFVGJCPRRTQD-CYBMUJFWSA-N 1 0 382.258 1.339 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N3C[C@H](C)[C@H]([NH3+])C3)C2=O)ccc1Br ZINC000332153854 532167119 /nfs/dbraw/zinc/16/71/19/532167119.db2.gz QVHXVSFUHCOYKU-GLQYFDAESA-N 1 0 395.301 1.851 20 0 GDADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1Cl ZINC000426469511 532169305 /nfs/dbraw/zinc/16/93/05/532169305.db2.gz NBGNZNNJMPAGKN-CQSZACIVSA-N 1 0 379.766 1.767 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000426455038 532169784 /nfs/dbraw/zinc/16/97/84/532169784.db2.gz SGAYYJZGYHNNKS-WMLDXEAASA-N 1 0 397.317 1.394 20 0 GDADRO CCn1c2ccc(S(=O)(=O)N3C[C@@H]([NH+](C)C)[C@@H](SC)C3)cc2oc1=O ZINC000331919428 532155831 /nfs/dbraw/zinc/15/58/31/532155831.db2.gz TUYQRLHAQPLQGC-HIFRSBDPSA-N 1 0 385.511 1.281 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1Br ZINC000425824590 532156425 /nfs/dbraw/zinc/15/64/25/532156425.db2.gz ZATBKKCZVGKVGF-SMDDNHRTSA-N 1 0 396.285 1.949 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375273791 532157081 /nfs/dbraw/zinc/15/70/81/532157081.db2.gz CLXLZOMTGJRJNP-UHFFFAOYSA-N 1 0 386.539 1.553 20 0 GDADRO Cn1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1Br ZINC000273633304 532160827 /nfs/dbraw/zinc/16/08/27/532160827.db2.gz QSIXIHLZMZFKEZ-UONOGXRCSA-N 1 0 385.306 1.680 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000332063688 532161159 /nfs/dbraw/zinc/16/11/59/532161159.db2.gz RNEDBLIZBKPVBW-ZANVPECISA-N 1 0 384.249 1.734 20 0 GDADRO CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)cc1F ZINC000426165785 532162997 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Cn1nc(Br)c2c1ncnc2N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375769709 532183222 /nfs/dbraw/zinc/18/32/22/532183222.db2.gz GNYWSQJCDLJRHU-QWRGUYRKSA-N 1 0 381.278 1.161 20 0 GDADRO COC(=O)[C@]1(C(F)(F)F)CCN(Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000286730163 532171903 /nfs/dbraw/zinc/17/19/03/532171903.db2.gz XROZYPAIXULQHD-ZDUSSCGKSA-N 1 0 376.360 1.387 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2ccccc2N(C)S(C)(=O)=O)C[C@H]1[NH+](C)C ZINC000273821426 532173024 /nfs/dbraw/zinc/17/30/24/532173024.db2.gz KFUXDSINPYZBCR-HUUCEWRRSA-N 1 0 386.543 1.592 20 0 GDADRO CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)CCC(F)(F)F ZINC000427200864 532177535 /nfs/dbraw/zinc/17/75/35/532177535.db2.gz SYDDTZINPLITLL-UWVGGRQHSA-N 1 0 377.329 1.834 20 0 GDADRO C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000332519510 532192291 /nfs/dbraw/zinc/19/22/91/532192291.db2.gz BQSPKQDYXSIMTM-SWLSCSKDSA-N 1 0 387.311 1.882 20 0 GDADRO C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000332519509 532192365 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C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000332601511 532199308 /nfs/dbraw/zinc/19/93/08/532199308.db2.gz NJVGXNKKNBWDGG-ZDUSSCGKSA-N 1 0 398.276 1.683 20 0 GDADRO NS(=O)(=O)c1cnc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000376198777 532199304 /nfs/dbraw/zinc/19/93/04/532199304.db2.gz PPVISUFJPDISKE-KRWDZBQOSA-N 1 0 378.523 1.893 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332612192 532200043 /nfs/dbraw/zinc/20/00/43/532200043.db2.gz PHJVLNHSMSEIFQ-IAQYHMDHSA-N 1 0 380.286 1.672 20 0 GDADRO CS[C@@H]1CN(CC(=O)NC(=O)NCc2cccs2)C[C@H]1[NH+]1CCCC1 ZINC000274125932 532187545 /nfs/dbraw/zinc/18/75/45/532187545.db2.gz VQCGMPAEJIZTRQ-HUUCEWRRSA-N 1 0 382.555 1.586 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000274131537 532187804 /nfs/dbraw/zinc/18/78/04/532187804.db2.gz HWRWGULTNPNTDN-UHFFFAOYSA-N 1 0 389.524 1.744 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000332486857 532190018 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399.333 1.735 20 0 GDADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000376363209 532210525 /nfs/dbraw/zinc/21/05/25/532210525.db2.gz GQYIMVRVNKYLNH-LBPRGKRZSA-N 1 0 396.481 1.788 20 0 GDADRO CC(C)(C)c1ncc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)s1 ZINC000428552692 532210991 /nfs/dbraw/zinc/21/09/91/532210991.db2.gz ZTFBFABKRIFQBD-UHFFFAOYSA-N 1 0 382.511 1.930 20 0 GDADRO O=C(Cc1cccc(Br)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428600098 532212844 /nfs/dbraw/zinc/21/28/44/532212844.db2.gz OQVKKNVGVGUKTP-HNNXBMFYSA-N 1 0 394.313 1.662 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000274511231 532215366 /nfs/dbraw/zinc/21/53/66/532215366.db2.gz QUPYABOTOBDUGN-LSDHHAIUSA-N 1 0 385.555 1.890 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000428744395 532215833 /nfs/dbraw/zinc/21/58/33/532215833.db2.gz ZFYKUVPSGMOLJH-LLVKDONJSA-N 1 0 389.315 1.727 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000287238863 532203742 /nfs/dbraw/zinc/20/37/42/532203742.db2.gz PYAIAMHCUWZYSZ-QWRGUYRKSA-N 1 0 381.420 1.439 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000332661454 532204319 /nfs/dbraw/zinc/20/43/19/532204319.db2.gz KQBNPVCZBRAARN-JSGCOSHPSA-N 1 0 380.286 1.585 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)CCc2scnc2C)C[C@H]1[NH+]1CCCC1 ZINC000333268264 532227956 /nfs/dbraw/zinc/22/79/56/532227956.db2.gz CAHRTZDLTNEKFR-UKRRQHHQSA-N 1 0 375.585 1.835 20 0 GDADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cc(Cl)c2O1 ZINC000376780610 532228881 /nfs/dbraw/zinc/22/88/81/532228881.db2.gz XZLXGYBUFILVRR-OCCSQVGLSA-N 1 0 385.917 1.332 20 0 GDADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333344677 532229663 /nfs/dbraw/zinc/22/96/63/532229663.db2.gz QHWYQBDVQOPDOR-PWSUYJOCSA-N 1 0 377.246 1.855 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000429632439 532231702 /nfs/dbraw/zinc/23/17/02/532231702.db2.gz DMMYHLYUARVFEZ-UHFFFAOYSA-N 1 0 375.516 1.016 20 0 GDADRO COCC[C@@]1(C(=O)N(C)CC(=O)Nc2ccccc2Br)CC[NH2+]C1 ZINC000429743389 532232589 /nfs/dbraw/zinc/23/25/89/532232589.db2.gz MAMSXFKPGYNVFA-KRWDZBQOSA-N 1 0 398.301 1.862 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cnc2ccc(Br)cc2c1O ZINC000333445105 532235486 /nfs/dbraw/zinc/23/54/86/532235486.db2.gz KPSBVAQXAOOKSI-GFCCVEGCSA-N 1 0 393.285 1.266 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000274638531 532221463 /nfs/dbraw/zinc/22/14/63/532221463.db2.gz ACXPTSHKEWRNKA-CQSZACIVSA-N 1 0 382.555 1.848 20 0 GDADRO CC[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000429095725 532222826 /nfs/dbraw/zinc/22/28/26/532222826.db2.gz BHECKPYUASAULV-HNNXBMFYSA-N 1 0 397.317 1.849 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@H]1[NH+]1CCCC1 ZINC000333182331 532223637 /nfs/dbraw/zinc/22/36/37/532223637.db2.gz MYVDIPAYYXSHKJ-CHWSQXEVSA-N 1 0 380.486 1.349 20 0 GDADRO C[C@@H]1CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC[C@@H]1[NH3+] ZINC000429130290 532224113 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C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000333634365 532242644 /nfs/dbraw/zinc/24/26/44/532242644.db2.gz HEDQOYIXTVSSBB-DFBGVHRSSA-N 1 0 395.301 1.630 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000333661233 532243784 /nfs/dbraw/zinc/24/37/84/532243784.db2.gz XAMHYGVTQNBMEU-BFHYXJOUSA-N 1 0 386.543 1.022 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)C1 ZINC000333663128 532243901 /nfs/dbraw/zinc/24/39/01/532243901.db2.gz LXNJWOBOHRMGEW-UGFHNGPFSA-N 1 0 395.301 1.759 20 0 GDADRO C[C@@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1nc(C(F)(F)F)cs1 ZINC000333676213 532244286 /nfs/dbraw/zinc/24/42/86/532244286.db2.gz YZDGTJHTYUPXMT-MNOVXSKESA-N 1 0 377.436 1.912 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)C1 ZINC000333716159 532246983 /nfs/dbraw/zinc/24/69/83/532246983.db2.gz TVYOVGITCXBVQK-RBSFLKMASA-N 1 0 395.301 1.902 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000377201254 532247166 /nfs/dbraw/zinc/24/71/66/532247166.db2.gz HTUSUXLGDMBECI-HNNXBMFYSA-N 1 0 377.576 1.088 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000333734947 532247851 /nfs/dbraw/zinc/24/78/51/532247851.db2.gz IEZYDLICSCONMM-ZIAGYGMSSA-N 1 0 386.543 1.295 20 0 GDADRO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000430380981 532249270 /nfs/dbraw/zinc/24/92/70/532249270.db2.gz YHLOSGJILABWJM-CQSZACIVSA-N 1 0 393.506 1.254 20 0 GDADRO [NH3+]CCCOC1CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000430589654 532252373 /nfs/dbraw/zinc/25/23/73/532252373.db2.gz FKDIKOCNFFJDBQ-UHFFFAOYSA-N 1 0 395.305 1.755 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000333839676 532252452 /nfs/dbraw/zinc/25/24/52/532252452.db2.gz KWTNXVSMJRLSLC-ZBFHGGJFSA-N 1 0 386.539 1.551 20 0 GDADRO [NH3+]C[C@H]1CCCCN1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000430616468 532253143 /nfs/dbraw/zinc/25/31/43/532253143.db2.gz FNRQXQZPKZOIBL-CQSZACIVSA-N 1 0 386.327 1.850 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cncc(Br)c1 ZINC000287708002 532236136 /nfs/dbraw/zinc/23/61/36/532236136.db2.gz BPKAVEWHGRQXHC-SMDDNHRTSA-N 1 0 381.274 1.868 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000429862365 532236567 /nfs/dbraw/zinc/23/65/67/532236567.db2.gz DAOHALSJRJJKIQ-LLVKDONJSA-N 1 0 394.324 1.859 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2N)C[C@H]1[NH+]1CCCC1 ZINC000274848075 532236848 /nfs/dbraw/zinc/23/68/48/532236848.db2.gz TURSAEAGEWAOQM-VXGBXAGGSA-N 1 0 376.935 1.518 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)C1 ZINC000333468818 532236941 /nfs/dbraw/zinc/23/69/41/532236941.db2.gz AOGMBPPLDXZOHA-JMSVASOKSA-N 1 0 395.301 1.759 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000429873698 532237270 /nfs/dbraw/zinc/23/72/70/532237270.db2.gz RPDYVXKBUGLEOV-KGLIPLIRSA-N 1 0 376.910 1.120 20 0 GDADRO C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1cc2c(cc1Br)OCCO2 ZINC000429898063 532237859 /nfs/dbraw/zinc/23/78/59/532237859.db2.gz NFRDCYQBFFVRLI-MNOVXSKESA-N 1 0 385.258 1.776 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000377733945 532271277 /nfs/dbraw/zinc/27/12/77/532271277.db2.gz CYNCVPYICVRINY-CQSZACIVSA-N 1 0 386.949 1.949 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377756059 532271382 /nfs/dbraw/zinc/27/13/82/532271382.db2.gz NWAJLRLBRUARKU-NWDGAFQWSA-N 1 0 391.269 1.227 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377756060 532271739 /nfs/dbraw/zinc/27/17/39/532271739.db2.gz NWAJLRLBRUARKU-RYUDHWBXSA-N 1 0 391.269 1.227 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430725433 532255784 /nfs/dbraw/zinc/25/57/84/532255784.db2.gz SZJITUACZYHRKJ-JOYOIKCWSA-N 1 0 390.303 1.368 20 0 GDADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)C1 ZINC000275047812 532257153 /nfs/dbraw/zinc/25/71/53/532257153.db2.gz JOVFWAOWHAPSQH-CYBMUJFWSA-N 1 0 388.921 1.645 20 0 GDADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000275077299 532261530 /nfs/dbraw/zinc/26/15/30/532261530.db2.gz QUPWESPEISOQAN-JTQLQIEISA-N 1 0 381.951 1.963 20 0 GDADRO O=C(C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)NCc1cccc(Cl)c1 ZINC000275119749 532266880 /nfs/dbraw/zinc/26/68/80/532266880.db2.gz PCEYPYMTLMWNHL-LBPRGKRZSA-N 1 0 377.794 1.957 20 0 GDADRO Cc1cc(NC(=O)c2ccc(S(N)(=O)=O)s2)n(C2CC[NH+](C)CC2)n1 ZINC000431504559 532267322 /nfs/dbraw/zinc/26/73/22/532267322.db2.gz FYGHRCOKKYMPDV-UHFFFAOYSA-N 1 0 383.499 1.419 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000431895752 532275908 /nfs/dbraw/zinc/27/59/08/532275908.db2.gz GSRNYDDAMQYXNW-GOEBONIOSA-N 1 0 380.576 1.384 20 0 GDADRO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Br)cn1 ZINC000432163528 532277904 /nfs/dbraw/zinc/27/79/04/532277904.db2.gz QYILMKZCWDAQFZ-LLVKDONJSA-N 1 0 381.278 2.485 20 0 GDADRO CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000432203397 532280725 /nfs/dbraw/zinc/28/07/25/532280725.db2.gz UXOOWMULOHRFBS-CQSZACIVSA-N 1 0 391.559 1.097 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000288225200 532274149 /nfs/dbraw/zinc/27/41/49/532274149.db2.gz UTTORRMEWQIPKY-WCQYABFASA-N 1 0 381.274 1.868 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccc(Br)cn1 ZINC000288506050 532293678 /nfs/dbraw/zinc/29/36/78/532293678.db2.gz GSPCWQRPFPFJCF-XUJVJEKNSA-N 1 0 397.317 1.820 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000288522598 532294906 /nfs/dbraw/zinc/29/49/06/532294906.db2.gz HXJGTHSBDSOCQM-DGCLKSJQSA-N 1 0 383.290 1.622 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000288547344 532295921 /nfs/dbraw/zinc/29/59/21/532295921.db2.gz FRULQDQHNRNLOP-KGLIPLIRSA-N 1 0 385.258 1.630 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cn1 ZINC000288598037 532298437 /nfs/dbraw/zinc/29/84/37/532298437.db2.gz NQQDTFORMLQZLT-DYEKYZERSA-N 1 0 397.317 1.962 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Br)ncc1Cl ZINC000275564022 532300091 /nfs/dbraw/zinc/30/00/91/532300091.db2.gz HURALZSILDIDKY-NSHDSACASA-N 1 0 389.681 1.567 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc(Cl)ccc1I ZINC000394081723 532301587 /nfs/dbraw/zinc/30/15/87/532301587.db2.gz LAKAAIAPUWLHCN-SNVBAGLBSA-N 1 0 393.656 1.578 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+](C)CCN(C)C)ccc1Br ZINC000288669303 532302210 /nfs/dbraw/zinc/30/22/10/532302210.db2.gz BQCATOXQFLQWOY-UHFFFAOYSA-N 1 0 399.333 1.696 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000276278414 532325522 /nfs/dbraw/zinc/32/55/22/532325522.db2.gz WJYRYIKKNUSIKQ-CHWSQXEVSA-N 1 0 389.543 1.798 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000276278424 532325950 /nfs/dbraw/zinc/32/59/50/532325950.db2.gz WJYRYIKKNUSIKQ-STQMWFEESA-N 1 0 389.543 1.798 20 0 GDADRO CS(=O)(=O)Nc1ccc(NC(=O)NCC[N@@H+]2CCCOCC2)cc1Cl ZINC000275755962 532309250 /nfs/dbraw/zinc/30/92/50/532309250.db2.gz OVIDUSZNKOHBJR-UHFFFAOYSA-N 1 0 390.893 1.555 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000288850839 532309433 /nfs/dbraw/zinc/30/94/33/532309433.db2.gz RKFDHIZWANUINE-AWEZNQCLSA-N 1 0 397.317 1.164 20 0 GDADRO CN(CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)S(=O)(=O)c1ccccc1 ZINC000288866970 532309875 /nfs/dbraw/zinc/30/98/75/532309875.db2.gz YHBQZZDMZPTJLT-NSHDSACASA-N 1 0 380.495 1.218 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000288896999 532310560 /nfs/dbraw/zinc/31/05/60/532310560.db2.gz PUWQCHSOYBYDNC-UHFFFAOYSA-N 1 0 376.544 1.736 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000275888322 532313770 /nfs/dbraw/zinc/31/37/70/532313770.db2.gz MOJWCJAJIUGUMX-UHFFFAOYSA-N 1 0 392.681 1.783 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000275894999 532313898 /nfs/dbraw/zinc/31/38/98/532313898.db2.gz QVSPQNMLLJIPMZ-UHFFFAOYSA-N 1 0 399.285 1.336 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1 ZINC000275901541 532314175 /nfs/dbraw/zinc/31/41/75/532314175.db2.gz PTPBONIDJVYNMV-UHFFFAOYSA-N 1 0 388.921 1.214 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000276014071 532317213 /nfs/dbraw/zinc/31/72/13/532317213.db2.gz JRWAZBOSZVYQMU-GFCCVEGCSA-N 1 0 389.543 1.005 20 0 GDADRO O=C(COc1ccc(Br)cc1F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289237478 532319285 /nfs/dbraw/zinc/31/92/85/532319285.db2.gz MNNPUNXDOLLENK-CYBMUJFWSA-N 1 0 386.265 1.473 20 0 GDADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000289248910 532319680 /nfs/dbraw/zinc/31/96/80/532319680.db2.gz XEDMHAQIAHVWNL-DGCLKSJQSA-N 1 0 381.274 1.868 20 0 GDADRO CCN(C(=O)C[NH2+][C@H](c1cccs1)C(C)(C)CO)[C@@H]1CCS(=O)(=O)C1 ZINC000289315149 532321556 /nfs/dbraw/zinc/32/15/56/532321556.db2.gz JNBSIUYTOIDQFK-CZUORRHYSA-N 1 0 388.555 1.433 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000276201471 532322851 /nfs/dbraw/zinc/32/28/51/532322851.db2.gz NQGZFIGZDAHVMV-CYBMUJFWSA-N 1 0 389.543 1.147 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000289636985 532329991 /nfs/dbraw/zinc/32/99/91/532329991.db2.gz PSUDNCPFBYYSCZ-HOTGVXAUSA-N 1 0 385.917 1.561 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCN2CCNC2=O)C1 ZINC000289947339 532334489 /nfs/dbraw/zinc/33/44/89/532334489.db2.gz PABHPUJBCLXHTM-LBPRGKRZSA-N 1 0 396.289 1.520 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCC(=O)N3CCOCC3)C[C@H]21 ZINC000359990627 209209528 /nfs/dbraw/zinc/20/95/28/209209528.db2.gz CBQQOVKEWUZLHQ-GVDBMIGSSA-N 1 0 381.517 1.861 20 0 GDADRO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1ccc(I)cc1 ZINC000044502620 209196074 /nfs/dbraw/zinc/19/60/74/209196074.db2.gz YHNKJMAFTWZAIW-SNVBAGLBSA-N 1 0 380.251 1.569 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 ZINC000359940387 209205324 /nfs/dbraw/zinc/20/53/24/209205324.db2.gz GNJDJZSORKBPJV-SFHVURJKSA-N 1 0 397.479 1.110 20 0 GDADRO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CC[NH+](CC)CC1 ZINC000023991184 209176408 /nfs/dbraw/zinc/17/64/08/209176408.db2.gz WMRNLSFNMCAGSY-UHFFFAOYSA-N 1 0 379.530 1.444 20 0 GDADRO CC(=O)Nc1ccc(C)c(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000071972530 211066096 /nfs/dbraw/zinc/06/60/96/211066096.db2.gz WOEMVRCMLKKHAK-CQSZACIVSA-N 1 0 382.530 1.115 20 0 GDADRO Cn1ccnc(N2CCC[C@H]([NH2+]Cc3ccccc3N3CCOCC3)C2)c1=O ZINC000275399720 570692312 /nfs/dbraw/zinc/69/23/12/570692312.db2.gz CJVMGDRRLAOCNL-SFHVURJKSA-N 1 0 383.496 1.376 20 0 GDADRO Cc1ccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)nc1 ZINC000549937316 570929442 /nfs/dbraw/zinc/92/94/42/570929442.db2.gz QMBLOQFBDQLTOS-KRWDZBQOSA-N 1 0 382.512 1.326 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736399137 598836234 /nfs/dbraw/zinc/83/62/34/598836234.db2.gz FAQKXMXMZYDAOH-LBPRGKRZSA-N 1 0 382.465 1.549 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736294337 598836282 /nfs/dbraw/zinc/83/62/82/598836282.db2.gz RCSFJRLPEMVSPQ-WDEREUQCSA-N 1 0 382.877 1.377 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736398530 598836405 /nfs/dbraw/zinc/83/64/05/598836405.db2.gz BCRPNGCMTDBIMO-INIZCTEOSA-N 1 0 378.502 1.551 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736398532 598836449 /nfs/dbraw/zinc/83/64/49/598836449.db2.gz BCRPNGCMTDBIMO-MRXNPFEDSA-N 1 0 378.502 1.551 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000737522032 598851421 /nfs/dbraw/zinc/85/14/21/598851421.db2.gz FDJYJERYBMJIHV-KRWDZBQOSA-N 1 0 379.472 1.561 20 0 GDADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736252616 598874392 /nfs/dbraw/zinc/87/43/92/598874392.db2.gz QQZWIRIHBFOLIJ-VXGBXAGGSA-N 1 0 382.465 1.547 20 0 GDADRO C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736100016 598894588 /nfs/dbraw/zinc/89/45/88/598894588.db2.gz LDVSMIWLHKARSU-YCRPNKLZSA-N 1 0 392.463 1.681 20 0 GDADRO O=C(CC1(O)CCCCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737805796 598894946 /nfs/dbraw/zinc/89/49/46/598894946.db2.gz ACNFSUNRFLWWDM-UHFFFAOYSA-N 1 0 398.511 1.986 20 0 GDADRO OCC[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000738394217 598898033 /nfs/dbraw/zinc/89/80/33/598898033.db2.gz QNSCMYXZOGHNSP-YLJYHZDGSA-N 1 0 395.463 1.588 20 0 GDADRO O=C(C[NH2+]C1(CO)Cc2ccccc2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737892104 598899728 /nfs/dbraw/zinc/89/97/28/598899728.db2.gz UJHIWIJNWVXTFO-UHFFFAOYSA-N 1 0 398.854 1.578 20 0 GDADRO O=c1cc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)occ1O ZINC000738379317 598900543 /nfs/dbraw/zinc/90/05/43/598900543.db2.gz FMRHVUGSKGYQES-UHFFFAOYSA-N 1 0 382.424 1.233 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000737299442 598952287 /nfs/dbraw/zinc/95/22/87/598952287.db2.gz ZKBFBACPARYPAC-UHFFFAOYSA-N 1 0 392.529 1.966 20 0 GDADRO CN1CCC([NH+]2CCC(Nc3c4ccccc4nnc3-c3nn[nH]n3)CC2)CC1 ZINC000736851472 598963383 /nfs/dbraw/zinc/96/33/83/598963383.db2.gz ISWVQWSZXXDKBV-UHFFFAOYSA-N 1 0 393.499 1.780 20 0 GDADRO C[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110365 598970867 /nfs/dbraw/zinc/97/08/67/598970867.db2.gz AXHQNTAUWHFFTI-RDTXWAMCSA-N 1 0 399.499 1.870 20 0 GDADRO CC[C@@H]1CN(CCOc2ccc(-c3nn[nH]n3)cc2OC)CC[N@@H+]1CCOC ZINC000736407348 598985097 /nfs/dbraw/zinc/98/50/97/598985097.db2.gz GCGHLKMNZMFHML-MRXNPFEDSA-N 1 0 390.488 1.297 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000737223686 599000664 /nfs/dbraw/zinc/00/06/64/599000664.db2.gz JZILPNVZHQRVSZ-ZDUSSCGKSA-N 1 0 392.529 1.964 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC000736564774 599007807 /nfs/dbraw/zinc/00/78/07/599007807.db2.gz DORUSCFNYXBPDE-YPMHNXCESA-N 1 0 382.465 1.499 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000736614571 599016620 /nfs/dbraw/zinc/01/66/20/599016620.db2.gz IAWSFCHZSADZPJ-GXTWGEPZSA-N 1 0 378.502 1.795 20 0 GDADRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCCOc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000736614297 599050749 /nfs/dbraw/zinc/05/07/49/599050749.db2.gz UQPYJSHANOIWOW-ROUUACIJSA-N 1 0 387.484 1.888 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000737739828 599070488 /nfs/dbraw/zinc/07/04/88/599070488.db2.gz KUERXRIAVYTOOM-LMMKCTJWSA-N 1 0 389.463 1.461 20 0 GDADRO C[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000736026595 599088459 /nfs/dbraw/zinc/08/84/59/599088459.db2.gz VBYJMRVVBAHKKD-IFXJQAMLSA-N 1 0 391.479 1.430 20 0 GDADRO NC(=O)[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730860 599097991 /nfs/dbraw/zinc/09/79/91/599097991.db2.gz NECJCXGEKLQAML-QGZVFWFLSA-N 1 0 397.483 1.164 20 0 GDADRO C[C@@H](CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736025592 599099683 /nfs/dbraw/zinc/09/96/83/599099683.db2.gz LWUKGIAKSLHBCD-KBXCAEBGSA-N 1 0 379.468 1.503 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736295234 599102722 /nfs/dbraw/zinc/10/27/22/599102722.db2.gz ZVMBLIQQNUEPAW-BLLLJJGKSA-N 1 0 395.471 1.047 20 0 GDADRO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000823001583 599105865 /nfs/dbraw/zinc/10/58/65/599105865.db2.gz NETZPVXHRBNUJW-ZDUSSCGKSA-N 1 0 375.864 1.629 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000821586293 599146779 /nfs/dbraw/zinc/14/67/79/599146779.db2.gz RLOMOVIVIZKEIG-INIZCTEOSA-N 1 0 394.483 1.285 20 0 GDADRO Fc1cccc(N2CCC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)c1 ZINC000737659461 599179302 /nfs/dbraw/zinc/17/93/02/599179302.db2.gz DHYFZYGXNFFPAY-DZGCQCFKSA-N 1 0 397.462 1.503 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1C ZINC000820978372 607275610 /nfs/dbraw/zinc/27/56/10/607275610.db2.gz ANMJYPAKHOHMEA-AWEZNQCLSA-N 1 0 385.472 1.494 20 0 GDADRO Cc1c(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cccc1-c1nn[nH]n1 ZINC000822053741 607276234 /nfs/dbraw/zinc/27/62/34/607276234.db2.gz QEZFQRADVLOYLI-STQMWFEESA-N 1 0 385.472 1.493 20 0 GDADRO Cc1c(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)cccc1-c1nn[nH]n1 ZINC000822054204 607277142 /nfs/dbraw/zinc/27/71/42/607277142.db2.gz VYNUUARFRQIJGC-UHFFFAOYSA-N 1 0 385.472 1.494 20 0 GDADRO Cc1c(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cccc1-c1nn[nH]n1 ZINC000822043767 607277504 /nfs/dbraw/zinc/27/75/04/607277504.db2.gz HIJVGLNARAIOQD-AGUYFDCRSA-N 1 0 383.456 1.245 20 0 GDADRO c1cn(C[N@H+]2CC[C@H](CN3CCOCC3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738407032 599252529 /nfs/dbraw/zinc/25/25/29/599252529.db2.gz WIZZRSXPESMTLF-MRXNPFEDSA-N 1 0 394.483 1.342 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC000821267674 607286277 /nfs/dbraw/zinc/28/62/77/607286277.db2.gz PHVBINCGUYFPOQ-AWEZNQCLSA-N 1 0 386.504 1.570 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736452556 599283367 /nfs/dbraw/zinc/28/33/67/599283367.db2.gz FJYYQPAEZUFIGW-UHFFFAOYSA-N 1 0 379.852 1.307 20 0 GDADRO CC1(C)CC(NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)CC(C)(C)[NH2+]1 ZINC000820586073 607332673 /nfs/dbraw/zinc/33/26/73/607332673.db2.gz TYMWQPFIWBFPKG-UHFFFAOYSA-N 1 0 389.435 1.370 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1F)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000823323171 607335168 /nfs/dbraw/zinc/33/51/68/607335168.db2.gz FCEMQCLXHXZCAA-UHFFFAOYSA-N 1 0 387.419 1.031 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821088644 607341502 /nfs/dbraw/zinc/34/15/02/607341502.db2.gz QVAFAZYNCYSFOX-LBPRGKRZSA-N 1 0 389.435 1.135 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736269889 598252075 /nfs/dbraw/zinc/25/20/75/598252075.db2.gz YYNRKURHEFKGHF-GFCCVEGCSA-N 1 0 382.465 1.549 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736994502 598255442 /nfs/dbraw/zinc/25/54/42/598255442.db2.gz JDDGBGRRRGHAQD-UHFFFAOYSA-N 1 0 378.481 1.465 20 0 GDADRO CC[N@H+](CCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1)C(C)C ZINC000736537926 598260596 /nfs/dbraw/zinc/26/05/96/598260596.db2.gz YSSOFIQMNMEGAM-UHFFFAOYSA-N 1 0 383.460 1.095 20 0 GDADRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736798589 598268843 /nfs/dbraw/zinc/26/88/43/598268843.db2.gz AUJJJBMTOHQQQY-UHFFFAOYSA-N 1 0 379.490 1.147 20 0 GDADRO CC[NH+](CC)CCNC(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736530331 598268869 /nfs/dbraw/zinc/26/88/69/598268869.db2.gz HXETYCHAFCKLCI-UHFFFAOYSA-N 1 0 387.488 1.761 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736529984 598268934 /nfs/dbraw/zinc/26/89/34/598268934.db2.gz CZXIZFFGIQMYMT-UHFFFAOYSA-N 1 0 375.477 1.367 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738102909 598269880 /nfs/dbraw/zinc/26/98/80/598269880.db2.gz WYFUMTBAZXTXPS-UHFFFAOYSA-N 1 0 399.499 1.511 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000736819251 598272904 /nfs/dbraw/zinc/27/29/04/598272904.db2.gz BUSFBMIFDJFFGI-UHFFFAOYSA-N 1 0 399.499 1.653 20 0 GDADRO O=C(NCCC[NH+]1CCCCC1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738065147 598294655 /nfs/dbraw/zinc/29/46/55/598294655.db2.gz GYCAKNQLADCLJS-UHFFFAOYSA-N 1 0 398.515 1.574 20 0 GDADRO Cc1nc(SCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737482673 598347451 /nfs/dbraw/zinc/34/74/51/598347451.db2.gz KKNZFQGVYVHUFT-CQSZACIVSA-N 1 0 387.513 1.586 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@H](Cn2cncn2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843692 598351379 /nfs/dbraw/zinc/35/13/79/598351379.db2.gz MNAUEUAGMOOCAS-AWEZNQCLSA-N 1 0 381.444 1.199 20 0 GDADRO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737446138 598355406 /nfs/dbraw/zinc/35/54/06/598355406.db2.gz WMXHZMVNRXFNTG-IRXDYDNUSA-N 1 0 383.456 1.448 20 0 GDADRO CN(C)c1cc2c(nn1)CC[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C2 ZINC000736773313 598364895 /nfs/dbraw/zinc/36/48/95/598364895.db2.gz KRQDZIRLYCNEJK-UHFFFAOYSA-N 1 0 399.484 1.171 20 0 GDADRO CCn1ccnc1CN1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000736722358 598366747 /nfs/dbraw/zinc/36/67/47/598366747.db2.gz LFPZWSAROFWCQI-UHFFFAOYSA-N 1 0 396.499 1.670 20 0 GDADRO C[NH+](C)C1(CNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCCCCC1 ZINC000736762966 598399506 /nfs/dbraw/zinc/39/95/06/598399506.db2.gz YUXCMIWDTLAKBT-UHFFFAOYSA-N 1 0 399.499 1.367 20 0 GDADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)[C@H]1CCOC1 ZINC000736793211 598406663 /nfs/dbraw/zinc/40/66/63/598406663.db2.gz UGEURGAMNJHYTI-NSHDSACASA-N 1 0 376.486 1.856 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736859956 598425433 /nfs/dbraw/zinc/42/54/33/598425433.db2.gz KQFQDLRYEBSPAM-IBGZPJMESA-N 1 0 397.527 1.428 20 0 GDADRO CC(C)C[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000735835341 598431106 /nfs/dbraw/zinc/43/11/06/598431106.db2.gz HGBWQLFLYUZXJT-UHFFFAOYSA-N 1 0 377.880 1.732 20 0 GDADRO COc1ccc(COCCC[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)cc1 ZINC000737098728 598466487 /nfs/dbraw/zinc/46/64/87/598466487.db2.gz YSPPJSPJSUKBDJ-UHFFFAOYSA-N 1 0 394.439 1.615 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCSCc2ccccc2-c2nn[nH]n2)C1 ZINC000736859265 598514269 /nfs/dbraw/zinc/51/42/69/598514269.db2.gz YEZGZOPXABVUOB-CQSZACIVSA-N 1 0 389.529 1.741 20 0 GDADRO CCN(CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(C)c1 ZINC000736536300 598518956 /nfs/dbraw/zinc/51/89/56/598518956.db2.gz HWLZUJJXXQBFJS-OAHLLOKOSA-N 1 0 381.488 1.529 20 0 GDADRO C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCc2ccccc2C1 ZINC000736026380 598520166 /nfs/dbraw/zinc/52/01/66/598520166.db2.gz SCKJFEFMYHIBSK-HUUCEWRRSA-N 1 0 393.499 1.141 20 0 GDADRO Brc1cc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cs1 ZINC000735369837 598521490 /nfs/dbraw/zinc/52/14/90/598521490.db2.gz XVNGYPHTBNZUGL-VIFPVBQESA-N 1 0 395.290 1.719 20 0 GDADRO c1cn(Cc2ccccc2C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cn1 ZINC000738432469 598522457 /nfs/dbraw/zinc/52/24/57/598522457.db2.gz HLXZVTJWCROXGU-AWEZNQCLSA-N 1 0 390.455 1.140 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1ccnc(N3CCCCC3)c1)C2 ZINC000738411239 598523836 /nfs/dbraw/zinc/52/38/36/598523836.db2.gz SSGQIACAHCVICI-HNNXBMFYSA-N 1 0 394.487 1.280 20 0 GDADRO CC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)OCCO2 ZINC000736371214 598524230 /nfs/dbraw/zinc/52/42/30/598524230.db2.gz POZAAFYWFZMWDR-SWLSCSKDSA-N 1 0 396.455 1.617 20 0 GDADRO c1csc(-c2nc(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)co2)c1 ZINC000738450218 598527341 /nfs/dbraw/zinc/52/73/41/598527341.db2.gz XTWYGCCMAONICO-SNVBAGLBSA-N 1 0 383.441 1.611 20 0 GDADRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735984594 598527357 /nfs/dbraw/zinc/52/73/57/598527357.db2.gz BRJQRERVXUFNJG-GXTWGEPZSA-N 1 0 396.455 1.445 20 0 GDADRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736204896 598530215 /nfs/dbraw/zinc/53/02/15/598530215.db2.gz SSVFBNAUFJUKNB-BFYDXBDKSA-N 1 0 393.499 1.530 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738048335 598536637 /nfs/dbraw/zinc/53/66/37/598536637.db2.gz FKOFWFJUDOAQSB-KSSFIOAISA-N 1 0 381.484 1.436 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[NH2+]C(C)(C)COC ZINC000736988500 598559198 /nfs/dbraw/zinc/55/91/98/598559198.db2.gz SFBFITPMRHMKIK-UHFFFAOYSA-N 1 0 393.492 1.275 20 0 GDADRO CN(C(=O)c1sccc1-c1nn[nH]n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736740636 598591158 /nfs/dbraw/zinc/59/11/58/598591158.db2.gz CUQLBKRLDYBAIZ-UHFFFAOYSA-N 1 0 386.485 1.361 20 0 GDADRO Cc1nc(SCC(=O)N(C)CC[NH+]2CCCC2)c(-c2nn[nH]n2)c(C)c1C ZINC000737482732 598670886 /nfs/dbraw/zinc/67/08/86/598670886.db2.gz LIKRNKVGWSNUDD-UHFFFAOYSA-N 1 0 389.529 1.833 20 0 GDADRO CNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 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NICOVDRWEQFPAT-LBPRGKRZSA-N 1 0 382.465 1.358 20 0 GDADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000820410380 599388173 /nfs/dbraw/zinc/38/81/73/599388173.db2.gz DYVMPECQKYHDSP-CHWSQXEVSA-N 1 0 391.435 1.891 20 0 GDADRO C[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820759620 599406756 /nfs/dbraw/zinc/40/67/56/599406756.db2.gz MGOOXMCKVHCNPO-ZNMIVQPWSA-N 1 0 387.488 1.726 20 0 GDADRO COc1ccc(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1-c1nn[nH]n1 ZINC000821818292 599409749 /nfs/dbraw/zinc/40/97/49/599409749.db2.gz NNSTUXNZXWUYQI-UHFFFAOYSA-N 1 0 387.465 1.710 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736534172 599429566 /nfs/dbraw/zinc/42/95/66/599429566.db2.gz NUVQCCWFDLXWLU-UHFFFAOYSA-N 1 0 377.880 1.511 20 0 GDADRO Cc1cccc2c(CC[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c[nH]c21 ZINC000822332786 599446420 /nfs/dbraw/zinc/44/64/20/599446420.db2.gz SUYXKATWLIZHRJ-CYBMUJFWSA-N 1 0 377.456 1.727 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C1 ZINC000820648666 599480040 /nfs/dbraw/zinc/48/00/40/599480040.db2.gz FAVPIOSSFXQOJY-STQMWFEESA-N 1 0 393.517 1.294 20 0 GDADRO Cc1ccc(C(=O)NCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1F ZINC000737313128 599485222 /nfs/dbraw/zinc/48/52/22/599485222.db2.gz QIIWWTWETWDABD-UHFFFAOYSA-N 1 0 394.414 1.482 20 0 GDADRO O=S(=O)(CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000738325700 599487365 /nfs/dbraw/zinc/48/73/65/599487365.db2.gz JYXDLHSLIVTHRO-UHFFFAOYSA-N 1 0 397.464 1.468 20 0 GDADRO O=C(C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Nc1ccc(Cl)cc1 ZINC000737895652 599487473 /nfs/dbraw/zinc/48/74/73/599487473.db2.gz ONQDVFLVUVOBGQ-UHFFFAOYSA-N 1 0 382.815 1.896 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1 ZINC000820981674 599555151 /nfs/dbraw/zinc/55/51/51/599555151.db2.gz VNUBBBPZYFLECB-LBPRGKRZSA-N 1 0 379.490 1.191 20 0 GDADRO c1cc(CC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc2c1OCC2 ZINC000823766634 599569318 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CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000821599488 599673329 /nfs/dbraw/zinc/67/33/29/599673329.db2.gz WRCBQZDKYRLVDY-CQSZACIVSA-N 1 0 387.492 1.189 20 0 GDADRO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820262764 599676911 /nfs/dbraw/zinc/67/69/11/599676911.db2.gz YWDMGTFIRVHFFE-LSDHHAIUSA-N 1 0 386.504 1.110 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820995521 599677466 /nfs/dbraw/zinc/67/74/66/599677466.db2.gz SZVGQNJWFBDUJZ-CVEARBPZSA-N 1 0 385.472 1.514 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820349809 599682143 /nfs/dbraw/zinc/68/21/43/599682143.db2.gz ITSZROFKQMEDCO-RRQGHBQHSA-N 1 0 385.472 1.168 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822969232 599693082 /nfs/dbraw/zinc/69/30/82/599693082.db2.gz KJNMZCQNWQOKLQ-UHFFFAOYSA-N 1 0 392.467 1.090 20 0 GDADRO CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)c1cccs1 ZINC000821602629 607390186 /nfs/dbraw/zinc/39/01/86/607390186.db2.gz LJPINLLOUVDVRK-UHFFFAOYSA-N 1 0 378.483 1.339 20 0 GDADRO O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)NCC[NH+]3CCCCC3)cc2)CC1 ZINC000739802670 600123529 /nfs/dbraw/zinc/12/35/29/600123529.db2.gz YBZQSQXYMTVKKH-UHFFFAOYSA-N 1 0 389.500 1.501 20 0 GDADRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826398999 607456384 /nfs/dbraw/zinc/45/63/84/607456384.db2.gz KAQTYFRNBMFAQC-QGZVFWFLSA-N 1 0 396.499 1.317 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000826038310 607457547 /nfs/dbraw/zinc/45/75/47/607457547.db2.gz JIVHDKXGQYLAML-UHFFFAOYSA-N 1 0 398.515 1.183 20 0 GDADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000824763052 607470591 /nfs/dbraw/zinc/47/05/91/607470591.db2.gz JTAIGQILUMTJQO-UONOGXRCSA-N 1 0 390.455 1.576 20 0 GDADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820260914 607481987 /nfs/dbraw/zinc/48/19/87/607481987.db2.gz KNCWTEGEUDJBQR-OAHLLOKOSA-N 1 0 396.474 1.701 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC[N@@H+]1C ZINC000828175976 601042925 /nfs/dbraw/zinc/04/29/25/601042925.db2.gz GOGTYYQXQYYEAJ-RDJZCZTQSA-N 1 0 389.500 1.497 20 0 GDADRO C[NH+]1CCN(c2ccc(NCc3cnc4ccc(-c5nn[nH]n5)cn34)cn2)CC1 ZINC000821628307 607487457 /nfs/dbraw/zinc/48/74/57/607487457.db2.gz FTAXBHYSYXQXRF-UHFFFAOYSA-N 1 0 390.455 1.273 20 0 GDADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)nc2)C1 ZINC000821583054 607506125 /nfs/dbraw/zinc/50/61/25/607506125.db2.gz HICYZLQWJDUBJK-KRWDZBQOSA-N 1 0 392.467 1.583 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824262281 607515039 /nfs/dbraw/zinc/51/50/39/607515039.db2.gz YYHIEQBISOREMD-AWEZNQCLSA-N 1 0 385.472 1.289 20 0 GDADRO O=C(CC[NH+]1CCC(N2CCCNC2=O)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407340 607525788 /nfs/dbraw/zinc/52/57/88/607525788.db2.gz JRMQKHFDXYVEMO-UHFFFAOYSA-N 1 0 398.471 1.075 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=S)NC[C@@H]1CCOC1 ZINC000825866077 607530911 /nfs/dbraw/zinc/53/09/11/607530911.db2.gz QODHKWISNZQIGU-HNNXBMFYSA-N 1 0 389.529 1.141 20 0 GDADRO Cn1cc(C[N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c(C(F)(F)F)n1 ZINC000825992060 607555160 /nfs/dbraw/zinc/55/51/60/607555160.db2.gz NKPNJPYBSREJIS-CYBMUJFWSA-N 1 0 381.362 1.784 20 0 GDADRO O=C(CC[N@@H+]1CCc2c[nH]nc2C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000826407311 607567817 /nfs/dbraw/zinc/56/78/17/607567817.db2.gz ISCNDFSMBLJLEK-UHFFFAOYSA-N 1 0 384.469 1.527 20 0 GDADRO COc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1-c1nn[nH]n1 ZINC000826199946 607573774 /nfs/dbraw/zinc/57/37/74/607573774.db2.gz SLHZOZMUZIEYOH-KRWDZBQOSA-N 1 0 395.467 1.977 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)C[NH+]1CCCCC1 ZINC000824426972 607593376 /nfs/dbraw/zinc/59/33/76/607593376.db2.gz JGWCLNONXYRTQD-LBPRGKRZSA-N 1 0 398.920 1.920 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000824285026 607603934 /nfs/dbraw/zinc/60/39/34/607603934.db2.gz SXLYQRFNOWFVNR-UHFFFAOYSA-N 1 0 396.492 1.747 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000825460027 607612695 /nfs/dbraw/zinc/61/26/95/607612695.db2.gz QMPLDOQHESDKBV-LBPRGKRZSA-N 1 0 384.893 1.673 20 0 GDADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)C(C)(C)C ZINC000825858940 607616563 /nfs/dbraw/zinc/61/65/63/607616563.db2.gz BAQJDIAKLIXSGD-CYBMUJFWSA-N 1 0 384.481 1.651 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000825851305 607633567 /nfs/dbraw/zinc/63/35/67/607633567.db2.gz VUOLEIJYLFXBNR-XBFCOCLRSA-N 1 0 391.863 1.239 20 0 GDADRO CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(NC(=O)[O-])nc2)CC1 ZINC000823774271 603558748 /nfs/dbraw/zinc/55/87/48/603558748.db2.gz YJXOUGDFJJSFCV-UHFFFAOYSA-N 1 0 377.489 1.888 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000825412887 607654078 /nfs/dbraw/zinc/65/40/78/607654078.db2.gz WFDGWEQJUDKGOH-GFCCVEGCSA-N 1 0 398.920 1.873 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000825302162 607654185 /nfs/dbraw/zinc/65/41/85/607654185.db2.gz XRVXBJPRBOEAJT-GFCCVEGCSA-N 1 0 398.920 1.873 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000825412892 607654520 /nfs/dbraw/zinc/65/45/20/607654520.db2.gz WFDGWEQJUDKGOH-LBPRGKRZSA-N 1 0 398.920 1.873 20 0 GDADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000824876436 607667828 /nfs/dbraw/zinc/66/78/28/607667828.db2.gz SJFUYQWLTQVQMA-MJBXVCDLSA-N 1 0 378.502 1.511 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000529346348 649941293 /nfs/dbraw/zinc/94/12/93/649941293.db2.gz ZODGFCPUSINKAT-ZDUSSCGKSA-N 1 0 379.302 1.914 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1-c1nn[nH]n1 ZINC000826302579 607678949 /nfs/dbraw/zinc/67/89/49/607678949.db2.gz NGLRXKYZVHEJHO-OAHLLOKOSA-N 1 0 392.529 1.821 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(Br)c(F)c2F)CCO1 ZINC000529371165 649941652 /nfs/dbraw/zinc/94/16/52/649941652.db2.gz WQMAUJVUECACKK-GZMMTYOYSA-N 1 0 378.217 1.985 20 0 GDADRO CN1CCN(C(=O)NCc2cc(F)c(Br)cc2F)[C@H](C[NH3+])C1 ZINC000529370185 649941742 /nfs/dbraw/zinc/94/17/42/649941742.db2.gz OEMJKPUTZRULFF-SNVBAGLBSA-N 1 0 377.233 1.512 20 0 GDADRO CC[NH+]1C[C@H](Nc2ncnc(N[C@@H]3C[N@H+](CC)C[C@@H]3C)c2C(=O)[O-])[C@@H](C)C1 ZINC000829753465 604460635 /nfs/dbraw/zinc/46/06/35/604460635.db2.gz OXWOLQNUCBJSJL-ZQDZILKHSA-N 1 0 376.505 1.679 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000826249604 607694063 /nfs/dbraw/zinc/69/40/63/607694063.db2.gz KWNRRFNHDRUILP-UHFFFAOYSA-N 1 0 379.424 1.588 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(c2ncnc(N3CCC[C@@H]([NH+](C)C)C3)c2C(=O)[O-])C1 ZINC000830592704 605013743 /nfs/dbraw/zinc/01/37/43/605013743.db2.gz ZYOQJXNMOOUHBD-HUUCEWRRSA-N 1 0 376.505 1.236 20 0 GDADRO C[NH+](C)C1CCN(c2ncnc(N3CCC([NH+](C)C)CC3)c2C(=O)[O-])CC1 ZINC000830596640 605013893 /nfs/dbraw/zinc/01/38/93/605013893.db2.gz XSBYWAJZRFQDTJ-UHFFFAOYSA-N 1 0 376.505 1.236 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000833625702 605053285 /nfs/dbraw/zinc/05/32/85/605053285.db2.gz OKKFWSUYYCDGNI-AWEZNQCLSA-N 1 0 380.464 1.578 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000833627657 605053693 /nfs/dbraw/zinc/05/36/93/605053693.db2.gz YHYDQJIPDVHZQZ-YOEHRIQHSA-N 1 0 380.464 1.619 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000833627670 605134996 /nfs/dbraw/zinc/13/49/96/605134996.db2.gz YODHPWSLWDBFSQ-PBHICJAKSA-N 1 0 380.464 1.619 20 0 GDADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826433385 607736899 /nfs/dbraw/zinc/73/68/99/607736899.db2.gz DRZXMCMUNZPPER-UHFFFAOYSA-N 1 0 375.502 1.676 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824261684 607746447 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IEPMGYHIRHKYES-GFCCVEGCSA-N 1 0 383.460 1.851 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cn1 ZINC000821587241 606161570 /nfs/dbraw/zinc/16/15/70/606161570.db2.gz MXQOQSDDIBPZSQ-UHFFFAOYSA-N 1 0 395.471 1.821 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1)c1ccsc1 ZINC000821180817 606165300 /nfs/dbraw/zinc/16/53/00/606165300.db2.gz HNNXXSLPXXOPAE-ZDUSSCGKSA-N 1 0 389.489 1.866 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000822614895 606173531 /nfs/dbraw/zinc/17/35/31/606173531.db2.gz WIYOTYBAPSLGPP-AWEZNQCLSA-N 1 0 387.492 1.766 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000822636923 606225318 /nfs/dbraw/zinc/22/53/18/606225318.db2.gz KSGZZGQYVUEKNK-UHFFFAOYSA-N 1 0 379.468 1.772 20 0 GDADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000820541730 606300256 /nfs/dbraw/zinc/30/02/56/606300256.db2.gz IMLWDUDQCDDRJX-SJCJKPOMSA-N 1 0 376.486 1.188 20 0 GDADRO CC1CC[NH+](CCCNCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820723299 606307365 /nfs/dbraw/zinc/30/73/65/606307365.db2.gz ZSSOZEXHBMEWCF-UHFFFAOYSA-N 1 0 392.529 1.352 20 0 GDADRO O=S(=O)(CC[NH2+]CCOc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561384 606308352 /nfs/dbraw/zinc/30/83/52/606308352.db2.gz DNJSDWSINQBUFK-UHFFFAOYSA-N 1 0 391.428 1.448 20 0 GDADRO CN(C)c1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)cc[nH+]1 ZINC000821588553 606328061 /nfs/dbraw/zinc/32/80/61/606328061.db2.gz YBUNECNWKPBOFO-UHFFFAOYSA-N 1 0 379.833 1.782 20 0 GDADRO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000821649866 606332386 /nfs/dbraw/zinc/33/23/86/606332386.db2.gz FLYYOSQRXXOIDT-CRAIPNDOSA-N 1 0 384.484 1.745 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(F)cc3-c3nn[nH]n3)CC2)c1 ZINC000821903631 606350811 /nfs/dbraw/zinc/35/08/11/606350811.db2.gz IGDVBMMVPIOJAK-UHFFFAOYSA-N 1 0 398.402 1.764 20 0 GDADRO CC[C@H](C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1ccccc1F ZINC000820907751 606372221 /nfs/dbraw/zinc/37/22/21/606372221.db2.gz GPUPINAOMWPCTM-PBHICJAKSA-N 1 0 384.415 1.979 20 0 GDADRO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000823577920 606379197 /nfs/dbraw/zinc/37/91/97/606379197.db2.gz CXJZDUNDSXGJEO-UHFFFAOYSA-N 1 0 398.492 1.941 20 0 GDADRO O=C(NCCC[NH+]1CCCCCC1)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000823190625 606393909 /nfs/dbraw/zinc/39/39/09/606393909.db2.gz AJQZRRAGRHZYBR-UHFFFAOYSA-N 1 0 389.435 1.327 20 0 GDADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820054518 606396004 /nfs/dbraw/zinc/39/60/04/606396004.db2.gz ADFAPXKFZJCSLE-GFCCVEGCSA-N 1 0 377.424 1.037 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)C[NH+]1CCCCC1 ZINC000820259932 606397781 /nfs/dbraw/zinc/39/77/81/606397781.db2.gz DBMMUVXXXBZOKL-LBPRGKRZSA-N 1 0 389.435 1.183 20 0 GDADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820699369 606399467 /nfs/dbraw/zinc/39/94/67/606399467.db2.gz ZECDBVJXULNEOI-VXGBXAGGSA-N 1 0 389.435 1.323 20 0 GDADRO C[NH+](C)CCCOC1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000821584362 606402827 /nfs/dbraw/zinc/40/28/27/606402827.db2.gz AAOCRKHTSXDHFE-UHFFFAOYSA-N 1 0 382.472 1.747 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@@H](C)C1 ZINC000820768310 606423374 /nfs/dbraw/zinc/42/33/74/606423374.db2.gz MMGQURFBSQHHNO-AAEUAGOBSA-N 1 0 384.531 1.466 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000822337273 606441574 /nfs/dbraw/zinc/44/15/74/606441574.db2.gz WWBDAJQHXXIIRT-HNNXBMFYSA-N 1 0 381.484 1.914 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000822337276 606441864 /nfs/dbraw/zinc/44/18/64/606441864.db2.gz WWBDAJQHXXIIRT-OAHLLOKOSA-N 1 0 381.484 1.914 20 0 GDADRO O[C@@H](CNc1snc(Cl)c1-c1nn[nH]n1)C[N@@H+]1CCc2ccccc2C1 ZINC000823689359 606450467 /nfs/dbraw/zinc/45/04/67/606450467.db2.gz FOKMDPGDYYCIHH-LBPRGKRZSA-N 1 0 391.888 1.808 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000820481129 606488291 /nfs/dbraw/zinc/48/82/91/606488291.db2.gz TUWZEXPRKLDDRU-NEPJUHHUSA-N 1 0 382.415 1.355 20 0 GDADRO CC[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000820995591 606488684 /nfs/dbraw/zinc/48/86/84/606488684.db2.gz UPVDVYSKVOZPDP-DOMZBBRYSA-N 1 0 396.442 1.745 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000823699787 606528560 /nfs/dbraw/zinc/52/85/60/606528560.db2.gz XTAGHJKGXQWVMX-USXIJHARSA-N 1 0 375.498 1.966 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821625787 606555131 /nfs/dbraw/zinc/55/51/31/606555131.db2.gz VSWUYBJLCCOWDZ-ZDUSSCGKSA-N 1 0 375.502 1.170 20 0 GDADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(-c4nn[nH]n4)s3)CC2)CC1 ZINC000821627329 606556716 /nfs/dbraw/zinc/55/67/16/606556716.db2.gz XHDFMIKRFKCIAO-UHFFFAOYSA-N 1 0 375.502 1.028 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)nc1 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1.718 20 0 GDADRO CCc1cccc(OCC[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000821492341 606785844 /nfs/dbraw/zinc/78/58/44/606785844.db2.gz MIBJDIUVXMZVFM-HNNXBMFYSA-N 1 0 394.483 1.809 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C[C@@H]1[NH+](C)C ZINC000820744373 606834263 /nfs/dbraw/zinc/83/42/63/606834263.db2.gz YHSMGCUKSJKAGE-SKDRFNHKSA-N 1 0 381.387 1.882 20 0 GDADRO O=S(=O)(c1ccc(F)cc1-c1nn[nH]n1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000823607162 606844712 /nfs/dbraw/zinc/84/47/12/606844712.db2.gz REOUCFZMJPQHER-CQSZACIVSA-N 1 0 394.476 1.645 20 0 GDADRO COc1cccc([C@H](C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)N(C)C)c1 ZINC000821859265 606846091 /nfs/dbraw/zinc/84/60/91/606846091.db2.gz NEUCMFFBVNITJB-RBUKOAKNSA-N 1 0 382.468 1.801 20 0 GDADRO O=C(c1ccccc1)N1CCC([NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823493151 606849611 /nfs/dbraw/zinc/84/96/11/606849611.db2.gz FYUNCXFHAOFXHR-LJQANCHMSA-N 1 0 392.463 1.795 20 0 GDADRO 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CCc1nnc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c1CC ZINC000821527350 606911032 /nfs/dbraw/zinc/91/10/32/606911032.db2.gz DKUZOBWHQZXVNX-HNNXBMFYSA-N 1 0 399.547 1.388 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000823690899 606916256 /nfs/dbraw/zinc/91/62/56/606916256.db2.gz XNXHSENZNAETCK-DOTOQJQBSA-N 1 0 382.424 1.155 20 0 GDADRO CCC[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821099596 606919287 /nfs/dbraw/zinc/91/92/87/606919287.db2.gz KICLROZMTKSQAE-OAHLLOKOSA-N 1 0 379.486 1.535 20 0 GDADRO CCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821528424 606937082 /nfs/dbraw/zinc/93/70/82/606937082.db2.gz NBTYNTXSNXSFTD-UHFFFAOYSA-N 1 0 386.504 1.330 20 0 GDADRO CC(C)n1nccc1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820214481 606986416 /nfs/dbraw/zinc/98/64/16/606986416.db2.gz DXIGZKXSMODNNE-UHFFFAOYSA-N 1 0 394.483 1.992 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625188 607005323 /nfs/dbraw/zinc/00/53/23/607005323.db2.gz HFABEVGOLXCBKS-CVEARBPZSA-N 1 0 376.486 1.113 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CCSC1 ZINC000821581696 607054957 /nfs/dbraw/zinc/05/49/57/607054957.db2.gz SJQZAQVKBDEETD-SFHVURJKSA-N 1 0 390.513 1.578 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625362 607071675 /nfs/dbraw/zinc/07/16/75/607071675.db2.gz LVGATAUJCNZFKV-QRQLOZEOSA-N 1 0 395.511 1.778 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)CC[C@@H]21 ZINC000821625111 607072684 /nfs/dbraw/zinc/07/26/84/607072684.db2.gz GCVPYHBOLSMMFH-HOTGVXAUSA-N 1 0 380.456 1.833 20 0 GDADRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822496476 607092263 /nfs/dbraw/zinc/09/22/63/607092263.db2.gz NUYIBIPIKCQIBS-YJBOKZPZSA-N 1 0 383.456 1.485 20 0 GDADRO Cc1cc(=O)[nH]c([C@@H](C)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822210575 607098679 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ZPYDLKWMTDDSQS-GFCCVEGCSA-N 1 0 393.879 1.551 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821110265 607180861 /nfs/dbraw/zinc/18/08/61/607180861.db2.gz YVUWZNBAGRLHQI-LLVKDONJSA-N 1 0 391.863 1.307 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000823314924 607182255 /nfs/dbraw/zinc/18/22/55/607182255.db2.gz UOPDNGUEOYIBEU-LBPRGKRZSA-N 1 0 389.847 1.155 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000822217457 607194221 /nfs/dbraw/zinc/19/42/21/607194221.db2.gz FHRBHVHENARCBX-DLBZAZTESA-N 1 0 385.472 1.674 20 0 GDADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823150023 607225310 /nfs/dbraw/zinc/22/53/10/607225310.db2.gz KDEVSKLCEYEKOM-KGLIPLIRSA-N 1 0 376.486 1.426 20 0 GDADRO CCN1C(=O)N=NC1C1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000821564246 607236547 /nfs/dbraw/zinc/23/65/47/607236547.db2.gz ZHPWIVZWCXIGCF-UHFFFAOYSA-N 1 0 393.455 1.816 20 0 GDADRO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000530378433 649971682 /nfs/dbraw/zinc/97/16/82/649971682.db2.gz LCTQHTJQHCFNIM-HZPDHXFCSA-N 1 0 376.519 1.091 20 0 GDADRO CS[C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826226332 607782655 /nfs/dbraw/zinc/78/26/55/607782655.db2.gz XQXXSCACKYZDMX-ZDUSSCGKSA-N 1 0 377.518 1.691 20 0 GDADRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000825459436 607831626 /nfs/dbraw/zinc/83/16/26/607831626.db2.gz KOXMYZZGLKPISY-NEPJUHHUSA-N 1 0 377.880 1.873 20 0 GDADRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC(=O)Nc3sccc3-c3nn[nH]n3)[C@@H]2C1 ZINC000826145323 607858959 /nfs/dbraw/zinc/85/89/59/607858959.db2.gz DHQJKBFTMKBCPJ-BNOWGMLFSA-N 1 0 392.485 1.525 20 0 GDADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000530386075 649972390 /nfs/dbraw/zinc/97/23/90/649972390.db2.gz YODIDBNONLDIQL-UHFFFAOYSA-N 1 0 377.532 1.077 20 0 GDADRO O=C(N1CCc2ccc(-c3nn[nH]n3)cc21)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000826426061 607947577 /nfs/dbraw/zinc/94/75/77/607947577.db2.gz DGPCHEHBVWEUMJ-OAQYLSRUSA-N 1 0 390.447 1.393 20 0 GDADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000826090776 607986566 /nfs/dbraw/zinc/98/65/66/607986566.db2.gz OKOOEUGZJWSFRG-NSHDSACASA-N 1 0 390.444 1.765 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825000631 608002159 /nfs/dbraw/zinc/00/21/59/608002159.db2.gz UENYFBLEYXBRBJ-FZMZJTMJSA-N 1 0 380.449 1.004 20 0 GDADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000826132894 608002891 /nfs/dbraw/zinc/00/28/91/608002891.db2.gz HWYYFBUWMHOKFP-XIKOKIGWSA-N 1 0 390.444 1.727 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2cccc(OC)c2)c1-c1nn[nH]n1 ZINC000826073393 608020712 /nfs/dbraw/zinc/02/07/12/608020712.db2.gz QIUQVOVERRBLIU-NSHDSACASA-N 1 0 384.444 1.493 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1-c1nn[nH]n1 ZINC000826073625 608021209 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ZINC000824954861 608269361 /nfs/dbraw/zinc/26/93/61/608269361.db2.gz LLLCSAXEEGYNOQ-KGLIPLIRSA-N 1 0 383.456 1.566 20 0 GDADRO CCC[C@@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000825252808 608283298 /nfs/dbraw/zinc/28/32/98/608283298.db2.gz KFISWWMEBKWZQX-CQSZACIVSA-N 1 0 391.451 1.970 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CC[N@H+](C[C@@H](O)c3ccccc3)[C@H](C)C2)n1 ZINC000826274717 608283378 /nfs/dbraw/zinc/28/33/78/608283378.db2.gz BWQMDGCHYZSYJC-CRAIPNDOSA-N 1 0 379.468 1.814 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000826275350 608288709 /nfs/dbraw/zinc/28/87/09/608288709.db2.gz XGHBNOODHUMOCB-OAHLLOKOSA-N 1 0 379.472 1.588 20 0 GDADRO CC(=O)N(C)C1CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000823966881 608311985 /nfs/dbraw/zinc/31/19/85/608311985.db2.gz DNMCTPFQFVEUAD-UHFFFAOYSA-N 1 0 394.483 1.804 20 0 GDADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C3OCCO3)CC2)c1-c1nn[nH]n1 ZINC000826331912 608312637 /nfs/dbraw/zinc/31/26/37/608312637.db2.gz COTGKVOIHOVCSO-UHFFFAOYSA-N 1 0 395.467 1.946 20 0 GDADRO C[NH+]1CCC(CCNS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000826021640 608329856 /nfs/dbraw/zinc/32/98/56/608329856.db2.gz BIVRPPCQMCRIDU-UHFFFAOYSA-N 1 0 382.465 1.157 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CCO1 ZINC000825858966 608337111 /nfs/dbraw/zinc/33/71/11/608337111.db2.gz BPHSOFHMONUGDN-LLVKDONJSA-N 1 0 399.377 1.680 20 0 GDADRO CC[C@@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)CC[N@@H+]1C[C@H](C)O ZINC000825205492 608337337 /nfs/dbraw/zinc/33/73/37/608337337.db2.gz WKDRSNMZIAJJOP-GXTWGEPZSA-N 1 0 389.460 1.184 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825121019 608337385 /nfs/dbraw/zinc/33/73/85/608337385.db2.gz OTMLRMAVAKQPOK-CQSZACIVSA-N 1 0 382.465 1.300 20 0 GDADRO O[C@@H](C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503333 608412686 /nfs/dbraw/zinc/41/26/86/608412686.db2.gz VNMKVKTYMKMJPP-WBVHZDCISA-N 1 0 380.456 1.706 20 0 GDADRO CCCCCn1cc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(C)n1 ZINC000825276143 608451427 /nfs/dbraw/zinc/45/14/27/608451427.db2.gz RCDMLDILNQWJQS-AWEZNQCLSA-N 1 0 384.492 1.590 20 0 GDADRO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824051762 608456096 /nfs/dbraw/zinc/45/60/96/608456096.db2.gz DGHJDFKEILJVPO-SNVBAGLBSA-N 1 0 394.443 1.184 20 0 GDADRO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826134138 608461480 /nfs/dbraw/zinc/46/14/80/608461480.db2.gz SQSXDMQRLGOTHX-OLZOCXBDSA-N 1 0 386.456 1.317 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562522 608461929 /nfs/dbraw/zinc/46/19/29/608461929.db2.gz GUUIBVGLMLCQQK-CYBMUJFWSA-N 1 0 393.451 1.858 20 0 GDADRO C[C@@H]([NH2+]CCC(=O)NC(=O)NCc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824584869 608480464 /nfs/dbraw/zinc/48/04/64/608480464.db2.gz IRAFYQADEXOLDH-CQSZACIVSA-N 1 0 393.451 1.933 20 0 GDADRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)cn1 ZINC000826362258 608521708 /nfs/dbraw/zinc/52/17/08/608521708.db2.gz KIRKXLFDDYXSGD-IRXDYDNUSA-N 1 0 378.440 1.373 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NCCOc1ccc(F)cc1 ZINC000826412442 608532640 /nfs/dbraw/zinc/53/26/40/608532640.db2.gz OCQYGJDANZGMPK-UHFFFAOYSA-N 1 0 396.426 1.780 20 0 GDADRO CCc1nn(C)cc1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825763112 608580973 /nfs/dbraw/zinc/58/09/73/608580973.db2.gz ONECMWOCABXZBE-UHFFFAOYSA-N 1 0 380.500 1.871 20 0 GDADRO COc1ccc([C@@H](C)C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000826188162 608590358 /nfs/dbraw/zinc/59/03/58/608590358.db2.gz PABDMVRZFHVHDF-GJZGRUSLSA-N 1 0 394.483 1.980 20 0 GDADRO O=C([C@@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1)N1CCCC1 ZINC000826399572 608699426 /nfs/dbraw/zinc/69/94/26/608699426.db2.gz ZQOVUUSBJRDYOW-OAHLLOKOSA-N 1 0 380.456 1.349 20 0 GDADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546180 609142284 /nfs/dbraw/zinc/14/22/84/609142284.db2.gz GSVDXWCASJRNTR-LBPRGKRZSA-N 1 0 396.492 1.165 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C1 ZINC000825454051 609149721 /nfs/dbraw/zinc/14/97/21/609149721.db2.gz YLMYHQOHIOYAEN-AWEZNQCLSA-N 1 0 380.456 1.432 20 0 GDADRO Cc1cc(C(=O)NCC2CC[NH+](C)CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259637 609153781 /nfs/dbraw/zinc/15/37/81/609153781.db2.gz YROCEPKXNVWFTR-UHFFFAOYSA-N 1 0 380.456 1.432 20 0 GDADRO CC1CCC2(CC1)OC[C@H](C[NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)O2 ZINC000824918639 609188154 /nfs/dbraw/zinc/18/81/54/609188154.db2.gz QLJDYARCMTZKPY-LWGFOQHQSA-N 1 0 383.456 1.926 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826431904 609188413 /nfs/dbraw/zinc/18/84/13/609188413.db2.gz NHQXJUMSMYJUJW-QZTJIDSGSA-N 1 0 378.436 1.291 20 0 GDADRO C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000824505286 609206175 /nfs/dbraw/zinc/20/61/75/609206175.db2.gz AZHNKOSXVLMJFR-LBPRGKRZSA-N 1 0 398.446 1.577 20 0 GDADRO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825452840 609220826 /nfs/dbraw/zinc/22/08/26/609220826.db2.gz RCMSYDIIAGKOPY-KRWDZBQOSA-N 1 0 396.455 1.392 20 0 GDADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825919144 609231337 /nfs/dbraw/zinc/23/13/37/609231337.db2.gz VILAPYFVZYUFHQ-UHFFFAOYSA-N 1 0 380.456 1.969 20 0 GDADRO C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)C1CC[NH+](C)CC1 ZINC000824657573 609241593 /nfs/dbraw/zinc/24/15/93/609241593.db2.gz RHQCJZNHKQPETN-CQSZACIVSA-N 1 0 385.516 1.970 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c2ccccc2O1 ZINC000825860616 609247737 /nfs/dbraw/zinc/24/77/37/609247737.db2.gz UDZVHMTWWXUJIX-YJBOKZPZSA-N 1 0 394.435 1.256 20 0 GDADRO Cc1noc(C2(C)CC[NH+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000826339766 609298041 /nfs/dbraw/zinc/29/80/41/609298041.db2.gz RZPNRVFWXUBZSO-UHFFFAOYSA-N 1 0 396.455 1.940 20 0 GDADRO Cn1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361357 609337534 /nfs/dbraw/zinc/33/75/34/609337534.db2.gz UKDHWJAXMININO-QZTJIDSGSA-N 1 0 378.484 1.984 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361460 609345446 /nfs/dbraw/zinc/34/54/46/609345446.db2.gz XVHHOPDEMUTNBH-PXNSSMCTSA-N 1 0 395.467 1.695 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578068 609347248 /nfs/dbraw/zinc/34/72/48/609347248.db2.gz QBJRHXYSCJFSDD-GLUANWCPSA-N 1 0 387.419 1.377 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1C ZINC000824708093 609361203 /nfs/dbraw/zinc/36/12/03/609361203.db2.gz XALBXQQEVRUCDG-NWDGAFQWSA-N 1 0 395.305 1.516 20 0 GDADRO CC[C@H](O)C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825154875 609362017 /nfs/dbraw/zinc/36/20/17/609362017.db2.gz VKULNHMOTUAHRE-AWEZNQCLSA-N 1 0 395.305 1.518 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@@H]2CCCn3ccnc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476599 609417545 /nfs/dbraw/zinc/41/75/45/609417545.db2.gz KYFKYJGFLLMVEP-RDJZCZTQSA-N 1 0 392.467 1.726 20 0 GDADRO CC[C@H]1C[C@@H](CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)CCO1 ZINC000825183717 609435225 /nfs/dbraw/zinc/43/52/25/609435225.db2.gz PGVJCGABKQPFDI-RYUDHWBXSA-N 1 0 376.465 1.276 20 0 GDADRO C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)cn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824515935 609448132 /nfs/dbraw/zinc/44/81/32/609448132.db2.gz UNQOCSVINQARLK-GDBMZVCRSA-N 1 0 379.468 1.846 20 0 GDADRO COc1cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)sc1S(N)(=O)=O ZINC000532044587 650003401 /nfs/dbraw/zinc/00/34/01/650003401.db2.gz YZSRSOJIGJYKRY-UHFFFAOYSA-N 1 0 389.543 1.597 20 0 GDADRO O=C(Cn1cc(Br)cn1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534935470 650235702 /nfs/dbraw/zinc/23/57/02/650235702.db2.gz XGFLKBMKLQHTJI-JKSUJKDBSA-N 1 0 393.285 1.397 20 0 GDADRO NS(=O)(=O)c1ccc(CC(=O)NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000537589780 650296452 /nfs/dbraw/zinc/29/64/52/650296452.db2.gz KXZLAGYMLAPYHE-UHFFFAOYSA-N 1 0 385.555 1.709 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)ccc1S(C)(=O)=O ZINC000537941809 650302541 /nfs/dbraw/zinc/30/25/41/650302541.db2.gz DOQLMAJYVJVDPQ-GFCCVEGCSA-N 1 0 392.543 1.467 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1ccc(I)cc1 ZINC000540149688 650350288 /nfs/dbraw/zinc/35/02/88/650350288.db2.gz WRHLQBJUUTWUPQ-GWCFXTLKSA-N 1 0 395.262 1.755 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(-n2cncn2)cc1Cl ZINC000540173782 650350826 /nfs/dbraw/zinc/35/08/26/650350826.db2.gz TXKABWKUADHADA-STQMWFEESA-N 1 0 383.905 1.995 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000540516317 650361317 /nfs/dbraw/zinc/36/13/17/650361317.db2.gz BTPVUIPWCMTOAA-UHFFFAOYSA-N 1 0 376.320 1.993 20 0 GDADRO CS[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@H]1N(C)C ZINC000540591847 650364268 /nfs/dbraw/zinc/36/42/68/650364268.db2.gz KSPLKRYNTGFJEC-HUUCEWRRSA-N 1 0 384.933 1.745 20 0 GDADRO CC(C)Sc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000540964820 650374788 /nfs/dbraw/zinc/37/47/88/650374788.db2.gz BNPBRRCCNOULCJ-ROUUACIJSA-N 1 0 384.567 1.775 20 0 GDADRO C[NH+](C)CCOCCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000541533874 650386000 /nfs/dbraw/zinc/38/60/00/650386000.db2.gz ITGSLZMNMMCRLZ-UHFFFAOYSA-N 1 0 382.511 1.694 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccc(Cl)s1 ZINC000542558138 650407357 /nfs/dbraw/zinc/40/73/57/650407357.db2.gz DBAJVZJCHDHNMS-CYBMUJFWSA-N 1 0 386.949 1.675 20 0 GDADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000542962862 650415833 /nfs/dbraw/zinc/41/58/33/650415833.db2.gz XHBRNLPNYDGSDR-JTQLQIEISA-N 1 0 382.258 1.852 20 0 GDADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)ccc1S(C)(=O)=O ZINC000543428895 650422183 /nfs/dbraw/zinc/42/21/83/650422183.db2.gz HSSILJWWJYMLPI-OCCSQVGLSA-N 1 0 375.512 1.717 20 0 GDADRO C[NH+](C)CCOCCNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000544341414 650438083 /nfs/dbraw/zinc/43/80/83/650438083.db2.gz AMAAMGYOPABUGB-UHFFFAOYSA-N 1 0 383.901 1.979 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000544386494 650439066 /nfs/dbraw/zinc/43/90/66/650439066.db2.gz XCXRFUMAPYQVIA-PBHICJAKSA-N 1 0 386.539 1.844 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000544585913 650441232 /nfs/dbraw/zinc/44/12/32/650441232.db2.gz BOPFIICHEKHKRN-UHFFFAOYSA-N 1 0 377.532 1.087 20 0 GDADRO COCCN1CCC([NH2+]C[C@@H](O)COc2ccccc2Br)CC1 ZINC000545192005 650451101 /nfs/dbraw/zinc/45/11/01/650451101.db2.gz SEXLMTOAIONVGP-OAHLLOKOSA-N 1 0 387.318 1.889 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000546569395 650479195 /nfs/dbraw/zinc/47/91/95/650479195.db2.gz GQTILVQMRYRGNJ-MRXNPFEDSA-N 1 0 379.258 1.636 20 0 GDADRO Cc1c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cnn1-c1cccc(Br)c1 ZINC000546571467 650479238 /nfs/dbraw/zinc/47/92/38/650479238.db2.gz PBIISHFYYGJAFZ-KRWDZBQOSA-N 1 0 393.285 1.740 20 0 GDADRO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)nn1-c1ccc(Br)cc1 ZINC000547274294 650493620 /nfs/dbraw/zinc/49/36/20/650493620.db2.gz OUZRQNCINLRXNJ-KRWDZBQOSA-N 1 0 393.285 1.740 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000547278768 650493879 /nfs/dbraw/zinc/49/38/79/650493879.db2.gz FDXCZAKCTWLAHZ-LBPRGKRZSA-N 1 0 385.230 1.072 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000547427758 650497590 /nfs/dbraw/zinc/49/75/90/650497590.db2.gz BMFGWBDVPCHPEH-DZGCQCFKSA-N 1 0 387.933 1.996 20 0 GDADRO COC[C@](C)(O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000547827718 650516938 /nfs/dbraw/zinc/51/69/38/650516938.db2.gz XGJCSYKGEMGATG-GXTWGEPZSA-N 1 0 378.288 1.655 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CCSC1 ZINC000548654338 650559093 /nfs/dbraw/zinc/55/90/93/650559093.db2.gz FQYBFCQFGIXHPL-SMDDNHRTSA-N 1 0 382.452 1.134 20 0 GDADRO CCn1nccc1CC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000549348725 650575160 /nfs/dbraw/zinc/57/51/60/650575160.db2.gz LDOZINTXMILALC-UHFFFAOYSA-N 1 0 382.452 1.734 20 0 GDADRO C[C@@H](CNS(=O)(=O)Cc1ccc(C(F)F)cc1)CN1CC[NH+](C)CC1 ZINC000549370767 650575322 /nfs/dbraw/zinc/57/53/22/650575322.db2.gz DYUIWMRTSYZEGJ-AWEZNQCLSA-N 1 0 375.485 1.927 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000550855195 650597766 /nfs/dbraw/zinc/59/77/66/650597766.db2.gz WLLMSTXYWDQWJZ-ZDUSSCGKSA-N 1 0 384.318 1.954 20 0 GDADRO CC[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C(=O)N1CCOCC1 ZINC000551314417 650603908 /nfs/dbraw/zinc/60/39/08/650603908.db2.gz BJOWRRZLOBLVFX-JSGCOSHPSA-N 1 0 386.290 1.226 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000551854269 650613650 /nfs/dbraw/zinc/61/36/50/650613650.db2.gz UNLQIZMPIBFMDZ-SWLSCSKDSA-N 1 0 394.313 1.849 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)s1 ZINC000551872644 650613937 /nfs/dbraw/zinc/61/39/37/650613937.db2.gz DNSZSAXGMFGFMY-NSHDSACASA-N 1 0 376.887 1.578 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1ccc(Br)s1 ZINC000552082749 650619134 /nfs/dbraw/zinc/61/91/34/650619134.db2.gz APBQQYIGPJWXOX-UWVGGRQHSA-N 1 0 376.320 1.797 20 0 GDADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000552120809 650620669 /nfs/dbraw/zinc/62/06/69/650620669.db2.gz FQXMWSSHYPFWNO-MRXNPFEDSA-N 1 0 387.274 1.459 20 0 GDADRO CC(C)[C@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)[NH+](C)C ZINC000552946343 650635241 /nfs/dbraw/zinc/63/52/41/650635241.db2.gz PXCKKAXWRBYMTM-CQSZACIVSA-N 1 0 396.340 1.974 20 0 GDADRO COCCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000553072948 650637534 /nfs/dbraw/zinc/63/75/34/650637534.db2.gz WNOOWMMRFBRKJP-CABCVRRESA-N 1 0 377.551 1.198 20 0 GDADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000553763967 650656108 /nfs/dbraw/zinc/65/61/08/650656108.db2.gz MRGLKIDLVGHGFF-SJORKVTESA-N 1 0 394.603 1.631 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)CC2CCS(=O)(=O)CC2)C1 ZINC000553797812 650657997 /nfs/dbraw/zinc/65/79/97/650657997.db2.gz FZLNWXJYBPVVKQ-INMHGKMJSA-N 1 0 392.587 1.478 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000553964248 650664677 /nfs/dbraw/zinc/66/46/77/650664677.db2.gz XXCBIBFXLNWYLY-UHFFFAOYSA-N 1 0 392.301 1.660 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2cc(Br)cn2C)CC[N@@H+]1C ZINC000554029629 650667080 /nfs/dbraw/zinc/66/70/80/650667080.db2.gz KXHBTLYNHCLSOM-DGCLKSJQSA-N 1 0 385.306 1.345 20 0 GDADRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)[N@H+](C)C1CC1 ZINC000555022831 650684469 /nfs/dbraw/zinc/68/44/69/650684469.db2.gz PAXGXTAFNAFPJW-SNVBAGLBSA-N 1 0 394.324 1.871 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000555552003 650693226 /nfs/dbraw/zinc/69/32/26/650693226.db2.gz DUQQNHWLOCPQLY-UHFFFAOYSA-N 1 0 388.917 1.206 20 0 GDADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000556664916 650707902 /nfs/dbraw/zinc/70/79/02/650707902.db2.gz CCMSLMHJEZPFIQ-GFCCVEGCSA-N 1 0 379.262 2.194 20 0 GDADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H]2CCS(=O)(=O)[C@H]2C)C1 ZINC000556908033 650714593 /nfs/dbraw/zinc/71/45/93/650714593.db2.gz HVDURASUMWXZPS-JSGCOSHPSA-N 1 0 375.487 1.204 20 0 GDADRO CN(CCc1cccc(Br)c1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557207801 650721313 /nfs/dbraw/zinc/72/13/13/650721313.db2.gz CNIFNPWJSJVENL-UHFFFAOYSA-N 1 0 383.290 1.065 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N(C)CCC[NH+](C)C)cc1Br ZINC000557353456 650723306 /nfs/dbraw/zinc/72/33/06/650723306.db2.gz PODSPMIYJMUXMY-UHFFFAOYSA-N 1 0 386.290 1.484 20 0 GDADRO COCCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000557358137 650723607 /nfs/dbraw/zinc/72/36/07/650723607.db2.gz FRVIWANONMSNGH-OAHLLOKOSA-N 1 0 375.535 1.094 20 0 GDADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000563712664 650738001 /nfs/dbraw/zinc/73/80/01/650738001.db2.gz JGOKOVFUEDSTOB-CJNGLKHVSA-N 1 0 396.285 1.531 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000564025246 650745707 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CCC[C@@H]1C[NH2+]CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000564992402 650775664 /nfs/dbraw/zinc/77/56/64/650775664.db2.gz ZWCPHFSBBACRJL-LLVKDONJSA-N 1 0 394.324 1.872 20 0 GDADRO CC(C)Cc1nnc(NC(=O)CN(C)C(=O)C[N@H+](C)[C@H]2CCSC2)s1 ZINC000565148545 650782728 /nfs/dbraw/zinc/78/27/28/650782728.db2.gz ZCCBDEQUEDKBFL-LBPRGKRZSA-N 1 0 385.559 1.571 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C[C@@H]1O ZINC000565194264 650783661 /nfs/dbraw/zinc/78/36/61/650783661.db2.gz CHPZFGCBQRKESY-XBFCOCLRSA-N 1 0 382.258 1.008 20 0 GDADRO [NH3+]CCC1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000565723499 650810203 /nfs/dbraw/zinc/81/02/03/650810203.db2.gz QIIOOKSJTZARFQ-UHFFFAOYSA-N 1 0 382.258 1.981 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C1(C[NH3+])CCC1 ZINC000565778928 650812884 /nfs/dbraw/zinc/81/28/84/650812884.db2.gz USNHDHUZEHVMPP-UHFFFAOYSA-N 1 0 379.404 1.324 20 0 GDADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000565892903 650820001 /nfs/dbraw/zinc/82/00/01/650820001.db2.gz XAHOHLFKIGZSBF-CQSZACIVSA-N 1 0 389.543 1.185 20 0 GDADRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C12CCC2 ZINC000565992466 650824983 /nfs/dbraw/zinc/82/49/83/650824983.db2.gz BOUXXSDFCPHGHW-HUUCEWRRSA-N 1 0 386.539 1.816 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(CCC[NH3+])CC1CCCC1 ZINC000566009477 650826012 /nfs/dbraw/zinc/82/60/12/650826012.db2.gz WPZUPPIMRAVYPK-UHFFFAOYSA-N 1 0 388.555 1.928 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc4ccccc43)CCN2C1=O ZINC000566020984 650826736 /nfs/dbraw/zinc/82/67/36/650826736.db2.gz KFSIJDMLZGWUGY-IUODEOHRSA-N 1 0 379.869 1.426 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1cc(Cl)ccc1Br ZINC000566199280 650834218 /nfs/dbraw/zinc/83/42/18/650834218.db2.gz OVWYAQDFGHGEBX-ZDUSSCGKSA-N 1 0 388.693 1.977 20 0 GDADRO COCC[NH2+]CCNC(=O)COc1cccc(I)c1 ZINC000566206871 650834600 /nfs/dbraw/zinc/83/46/00/650834600.db2.gz ZKEZFXXSOKXODU-UHFFFAOYSA-N 1 0 378.210 1.022 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)CCC[NH2+]1 ZINC000566224054 650836172 /nfs/dbraw/zinc/83/61/72/650836172.db2.gz DIAZVBWCBUWHMN-INIZCTEOSA-N 1 0 390.889 1.482 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)s1 ZINC000566398217 650844179 /nfs/dbraw/zinc/84/41/79/650844179.db2.gz OZQKRMNRUSUOJS-GFCCVEGCSA-N 1 0 385.559 1.503 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)CC1 ZINC000566733810 650863518 /nfs/dbraw/zinc/86/35/18/650863518.db2.gz ISWKRXJSBASEPL-QGZVFWFLSA-N 1 0 384.567 1.133 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000566963753 650877127 /nfs/dbraw/zinc/87/71/27/650877127.db2.gz VYJUURZVVXIGFX-GJZGRUSLSA-N 1 0 383.290 1.973 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000566952537 650876112 /nfs/dbraw/zinc/87/61/12/650876112.db2.gz FOJYYLSSASSJEN-LBPRGKRZSA-N 1 0 381.951 1.020 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@](C)(F)C2)c(C)c[nH+]1 ZINC000566865868 650871077 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390.242 1.464 20 0 GDADRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423370142 646123839 /nfs/dbraw/zinc/12/38/39/646123839.db2.gz UFADYOIZLXZRDY-GBIKHYSHSA-N 1 0 376.320 1.745 20 0 GDADRO CN(Cc1cc(Br)ccc1Cl)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423455755 646125863 /nfs/dbraw/zinc/12/58/63/646125863.db2.gz MWPBNQSLBJEBQM-SNVBAGLBSA-N 1 0 388.693 1.868 20 0 GDADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N2CC[NH2+]CC2)ccc1Br ZINC000423518096 646126795 /nfs/dbraw/zinc/12/67/95/646126795.db2.gz IBULQMFMBVBFNY-OAHLLOKOSA-N 1 0 380.286 1.853 20 0 GDADRO C[C@@H](NC[C@H]1C[NH2+]CCN1C)c1ccc(F)c(I)c1 ZINC000423528473 646128133 /nfs/dbraw/zinc/12/81/33/646128133.db2.gz WOYJUVOHEDNQHD-ZYHUDNBSSA-N 1 0 377.245 1.985 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Br)C[C@H](C)[NH2+]1 ZINC000423565991 646130963 /nfs/dbraw/zinc/13/09/63/646130963.db2.gz BQZHXMUDHXLGEN-PHIMTYICSA-N 1 0 386.265 1.755 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000423579307 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380.286 1.572 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000423626950 646138598 /nfs/dbraw/zinc/13/85/98/646138598.db2.gz HPRWCBPHWHJDER-OLZOCXBDSA-N 1 0 398.301 1.495 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000423623489 646138605 /nfs/dbraw/zinc/13/86/05/646138605.db2.gz ADHZKODDZPXMGW-ZYHUDNBSSA-N 1 0 386.265 1.742 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000423676712 646141963 /nfs/dbraw/zinc/14/19/63/646141963.db2.gz QZMCMKFNKQNGHZ-QWHCGFSZSA-N 1 0 398.301 1.482 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000423945361 646145219 /nfs/dbraw/zinc/14/52/19/646145219.db2.gz AVFRKACJGSLGCW-CYBMUJFWSA-N 1 0 391.331 1.854 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)co1 ZINC000423976071 646148283 /nfs/dbraw/zinc/14/82/83/646148283.db2.gz FOTFSVPPPHHHSR-UHFFFAOYSA-N 1 0 384.483 1.706 20 0 GDADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000423988214 646149773 /nfs/dbraw/zinc/14/97/73/646149773.db2.gz XAPLTWDGECZDDH-DOMZBBRYSA-N 1 0 381.523 1.794 20 0 GDADRO COc1ccc(Br)c(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000423994242 646150450 /nfs/dbraw/zinc/15/04/50/646150450.db2.gz BVGOERGFYXZDJT-GFCCVEGCSA-N 1 0 394.273 1.985 20 0 GDADRO COc1ccc(Br)c(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000423994243 646150598 /nfs/dbraw/zinc/15/05/98/646150598.db2.gz BVGOERGFYXZDJT-LBPRGKRZSA-N 1 0 394.273 1.985 20 0 GDADRO CN(CC[NH3+])C(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 ZINC000424013818 646152636 /nfs/dbraw/zinc/15/26/36/646152636.db2.gz XUBPBDHHNISPOK-CYBMUJFWSA-N 1 0 391.331 1.460 20 0 GDADRO C[C@@H]1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)C[C@H]1C[NH3+] ZINC000424018218 646153315 /nfs/dbraw/zinc/15/33/15/646153315.db2.gz PUIDCZSFJUDESK-VXGBXAGGSA-N 1 0 396.285 1.618 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CCCO1 ZINC000424028868 646154507 /nfs/dbraw/zinc/15/45/07/646154507.db2.gz XPQISJBMQCNMKA-AWEZNQCLSA-N 1 0 384.274 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GDADRO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903093219 659294528 /nfs/dbraw/zinc/29/45/28/659294528.db2.gz QIGBIOUXHDSNTM-JSGCOSHPSA-N 1 0 379.448 1.877 20 0 GDADRO CN(CCC[NH3+])S(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 ZINC000903486195 659317408 /nfs/dbraw/zinc/31/74/08/659317408.db2.gz GYLXVHHSWVJKQV-UHFFFAOYSA-N 1 0 381.420 1.267 20 0 GDADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc(I)s1)C2 ZINC000903495366 659318384 /nfs/dbraw/zinc/31/83/84/659318384.db2.gz WASCCVVKPGTPQH-UHFFFAOYSA-N 1 0 398.291 1.901 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)s1 ZINC000918351713 660234230 /nfs/dbraw/zinc/23/42/30/660234230.db2.gz MSAYUNKHOZDKDN-CSMYWGQOSA-N 1 0 385.555 1.908 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000918395274 660235030 /nfs/dbraw/zinc/23/50/30/660235030.db2.gz MSIPACNDVXRTHX-CQSZACIVSA-N 1 0 385.917 1.949 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C1 ZINC000918395084 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379.592 1.427 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000500476309 648113944 /nfs/dbraw/zinc/11/39/44/648113944.db2.gz RVBGSNDXAGCPNS-RISCZKNCSA-N 1 0 394.946 1.551 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000501246170 648134646 /nfs/dbraw/zinc/13/46/46/648134646.db2.gz ZOMVIIBTUKCARL-ZDUSSCGKSA-N 1 0 388.559 1.212 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000501813246 648146122 /nfs/dbraw/zinc/14/61/22/648146122.db2.gz AUQBGCVDKXJCRI-ZFWWWQNUSA-N 1 0 383.539 1.644 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000502436637 648165968 /nfs/dbraw/zinc/16/59/68/648165968.db2.gz AXDUTPHISCORRX-UHFFFAOYSA-N 1 0 376.366 1.896 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000502899627 648177845 /nfs/dbraw/zinc/17/78/45/648177845.db2.gz RACQMJLOOPMWLM-KRWDZBQOSA-N 1 0 398.301 1.707 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000503241437 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652001260 /nfs/dbraw/zinc/00/12/60/652001260.db2.gz NVZWSHAQTWMXHZ-ZFWWWQNUSA-N 1 0 388.559 1.745 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCc3ccc(F)c(Br)c3)CCN2C1=O ZINC000582797085 652016157 /nfs/dbraw/zinc/01/61/57/652016157.db2.gz IOADMSZROBHGJN-SMDDNHRTSA-N 1 0 399.264 1.084 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000582960120 652021985 /nfs/dbraw/zinc/02/19/85/652021985.db2.gz AIXFMQKNXZLMDP-GHMZBOCLSA-N 1 0 385.313 1.651 20 0 GDADRO CSC[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000583565259 652041823 /nfs/dbraw/zinc/04/18/23/652041823.db2.gz XKPQAOHVPNWQCK-VXGBXAGGSA-N 1 0 397.278 1.344 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000583930520 652050277 /nfs/dbraw/zinc/05/02/77/652050277.db2.gz PDENZFGPZSQNAW-GFCCVEGCSA-N 1 0 397.324 1.604 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000583935535 652050686 /nfs/dbraw/zinc/05/06/86/652050686.db2.gz ZYSDJERFXIVKAC-CYBMUJFWSA-N 1 0 387.299 1.576 20 0 GDADRO O=C(CNC(=O)c1cc2c(cc(Br)cc2F)[nH]1)N1CC[NH2+]CC1 ZINC000584120756 652054994 /nfs/dbraw/zinc/05/49/94/652054994.db2.gz WJYOVQMTVMXFMX-UHFFFAOYSA-N 1 0 383.221 1.231 20 0 GDADRO O=C(Cc1ccc(F)c(Br)c1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000584171517 652058918 /nfs/dbraw/zinc/05/89/18/652058918.db2.gz GMVXIFJCKCBXSR-UHFFFAOYSA-N 1 0 383.225 1.297 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(CCOc3ccc(Cl)cc3Br)CCN2C1=O ZINC000584243364 652063944 /nfs/dbraw/zinc/06/39/44/652063944.db2.gz YAURWCBSOJXOQM-AAEUAGOBSA-N 1 0 388.693 1.725 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000584391968 652067755 /nfs/dbraw/zinc/06/77/55/652067755.db2.gz HRZSYZYSNWZWFX-CYBMUJFWSA-N 1 0 384.489 1.957 20 0 GDADRO [NH3+]CCCCC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000584588540 652077167 /nfs/dbraw/zinc/07/71/67/652077167.db2.gz MGNYQXKKCRBSHW-UHFFFAOYSA-N 1 0 398.301 1.628 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)c1Br ZINC000584787267 652080636 /nfs/dbraw/zinc/08/06/36/652080636.db2.gz 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C[C@@H]1C[N@@H+](CCCCNC(=O)c2sccc2S(N)(=O)=O)C[C@H](C)O1 ZINC000612057930 652929191 /nfs/dbraw/zinc/92/91/91/652929191.db2.gz UZPZGPDKCYTMMH-TXEJJXNPSA-N 1 0 375.516 1.015 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612977357 652948387 /nfs/dbraw/zinc/94/83/87/652948387.db2.gz MYAPPYFMMVVENA-IUODEOHRSA-N 1 0 398.301 1.630 20 0 GDADRO CC[N@H+](CCC1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC1)CC(C)C ZINC000613245758 652957305 /nfs/dbraw/zinc/95/73/05/652957305.db2.gz MCPNXXHDIQEXOW-INIZCTEOSA-N 1 0 375.579 1.921 20 0 GDADRO O=C(CCn1cc(Br)cn1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614439568 652960133 /nfs/dbraw/zinc/96/01/33/652960133.db2.gz AUBNASKELRBEMG-HNNXBMFYSA-N 1 0 385.306 1.749 20 0 GDADRO CC[C@H]([NH2+]CCS(=O)(=O)NC)c1ccc(I)cc1 ZINC000615189596 652961611 /nfs/dbraw/zinc/96/16/11/652961611.db2.gz HNIYFJAZISDOSS-LBPRGKRZSA-N 1 0 382.267 1.881 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)ccc3-n3cnnn3)[C@@H]2C1 ZINC000615184364 652961542 /nfs/dbraw/zinc/96/15/42/652961542.db2.gz SAICHAWGXFRGJX-IINYFYTJSA-N 1 0 377.246 1.201 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)C(=O)c1ccc(Br)cc1 ZINC000615267839 652962256 /nfs/dbraw/zinc/96/22/56/652962256.db2.gz ZNWLUOBDWUZVCM-HUUCEWRRSA-N 1 0 381.270 1.953 20 0 GDADRO COc1ncc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000615275089 652962329 /nfs/dbraw/zinc/96/23/29/652962329.db2.gz LGMRWSHZRPOTMF-KBPBESRZSA-N 1 0 384.274 1.788 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3cn4ccc(Br)cc4n3)C2)CC1 ZINC000615278460 652962467 /nfs/dbraw/zinc/96/24/67/652962467.db2.gz GGNLMCWRLHESCM-UHFFFAOYSA-N 1 0 392.301 1.416 20 0 GDADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000615322794 652962720 /nfs/dbraw/zinc/96/27/20/652962720.db2.gz YEGRDEPCFGBBLM-RUZDIDTESA-N 1 0 387.933 1.957 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(Br)ccc2-n2cnnn2)C[C@H](C)[N@H+]1C ZINC000615369127 652962886 /nfs/dbraw/zinc/96/28/86/652962886.db2.gz GRCBOLJVCQVJNY-PHIMTYICSA-N 1 0 379.262 1.589 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)CCn3cc(Br)cn3)cn2)CC1 ZINC000615383870 652962912 /nfs/dbraw/zinc/96/29/12/652962912.db2.gz CBHHGWFJSJKPNG-UHFFFAOYSA-N 1 0 393.289 1.821 20 0 GDADRO C[NH+](C)CC1CN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000615512611 652963571 /nfs/dbraw/zinc/96/35/71/652963571.db2.gz IJXXYBSMERRKSM-UHFFFAOYSA-N 1 0 389.315 1.384 20 0 GDADRO C[NH+](C)CC1CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C1 ZINC000615513091 652963600 /nfs/dbraw/zinc/96/36/00/652963600.db2.gz OQLQIOITUCITQA-UHFFFAOYSA-N 1 0 393.278 1.625 20 0 GDADRO C[NH+](C)CC1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000615512149 652963606 /nfs/dbraw/zinc/96/36/06/652963606.db2.gz CQHOHOGMCBTJFL-UHFFFAOYSA-N 1 0 379.258 1.179 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000618194582 652980355 /nfs/dbraw/zinc/98/03/55/652980355.db2.gz DLFSOCDJKXNROC-UHFFFAOYSA-N 1 0 399.563 1.922 20 0 GDADRO CC(C)[C@H](CNC(=O)CCn1cc(Br)cn1)[NH+]1CCN(C)CC1 ZINC000618374761 652982087 /nfs/dbraw/zinc/98/20/87/652982087.db2.gz KCMUQHRJRWMBEC-HNNXBMFYSA-N 1 0 386.338 1.424 20 0 GDADRO NS(=O)(=O)c1sc(Cl)cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621110909 652995446 /nfs/dbraw/zinc/99/54/46/652995446.db2.gz YFWDIYKGWHTCOD-NSHDSACASA-N 1 0 391.946 1.901 20 0 GDADRO CC(C)[C@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000621152231 652996199 /nfs/dbraw/zinc/99/61/99/652996199.db2.gz SFOKGSFMOGVSMZ-CQSZACIVSA-N 1 0 389.315 1.679 20 0 GDADRO COc1cc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c(Br)cn1 ZINC000621265526 652996890 /nfs/dbraw/zinc/99/68/90/652996890.db2.gz GOGKCBPAZRMCQU-UHFFFAOYSA-N 1 0 399.333 1.743 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)c3cc4c(cc3Br)OCO4)C[C@H]2[NH3+])cn1 ZINC000621666705 652998677 /nfs/dbraw/zinc/99/86/77/652998677.db2.gz RKYXASSRTGTBFO-WCQYABFASA-N 1 0 393.241 1.478 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)NCC(F)(F)c2ccc(Br)cc2)CCO1 ZINC000621851616 652999377 /nfs/dbraw/zinc/99/93/77/652999377.db2.gz ZEBGICYHLAPQOW-LBPRGKRZSA-N 1 0 378.217 1.910 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(NS(C)(=O)=O)c1 ZINC000624136841 653010207 /nfs/dbraw/zinc/01/02/07/653010207.db2.gz XEFMIXMQMKHSOU-DAXOMENPSA-N 1 0 389.543 1.569 20 0 GDADRO CC[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cccc(Br)c1 ZINC000624280966 653011066 /nfs/dbraw/zinc/01/10/66/653011066.db2.gz WIMAJESUKUWXCR-CQSZACIVSA-N 1 0 376.320 1.980 20 0 GDADRO FCCC[NH+]1CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000626072483 653048402 /nfs/dbraw/zinc/04/84/02/653048402.db2.gz YKXOVJOFIWIVNQ-UHFFFAOYSA-N 1 0 383.269 1.902 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C1 ZINC000626830232 653061790 /nfs/dbraw/zinc/06/17/90/653061790.db2.gz BXQPSGUMBOMXMD-NSHDSACASA-N 1 0 378.270 1.635 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C[NH2+]1 ZINC000626890918 653063293 /nfs/dbraw/zinc/06/32/93/653063293.db2.gz RKFLRLPTQRLWMH-HTQZYQBOSA-N 1 0 376.201 1.923 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C[NH2+]1 ZINC000626889365 653063357 /nfs/dbraw/zinc/06/33/57/653063357.db2.gz CVTADPAFBTTZBH-BXKDBHETSA-N 1 0 384.249 1.734 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCCOCCC[NH3+] ZINC000626892727 653063548 /nfs/dbraw/zinc/06/35/48/653063548.db2.gz HADQHWJJLDYQIQ-UHFFFAOYSA-N 1 0 388.262 1.268 20 0 GDADRO [NH3+]CCCOCCNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000626894946 653064044 /nfs/dbraw/zinc/06/40/44/653064044.db2.gz QVXRRBBSGNBWAL-UHFFFAOYSA-N 1 0 382.873 1.884 20 0 GDADRO CN(CCOCC[NH3+])C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000626896756 653064431 /nfs/dbraw/zinc/06/44/31/653064431.db2.gz HGZDZOZJDSBJOJ-UHFFFAOYSA-N 1 0 395.257 1.370 20 0 GDADRO C[NH2+]CCOCCNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000627015107 653066697 /nfs/dbraw/zinc/06/66/97/653066697.db2.gz UUVXPKQHGGFTSR-UHFFFAOYSA-N 1 0 384.278 1.440 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627010253 653066747 /nfs/dbraw/zinc/06/67/47/653066747.db2.gz XTYLNGKAUJMDBL-GLQYFDAESA-N 1 0 386.290 1.813 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000627020806 653066968 /nfs/dbraw/zinc/06/69/68/653066968.db2.gz GXLGYHCXOXZJNM-HNNXBMFYSA-N 1 0 399.333 1.905 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000627191090 653068199 /nfs/dbraw/zinc/06/81/99/653068199.db2.gz HZEDSDFGZAEUMO-CQSZACIVSA-N 1 0 383.290 1.269 20 0 GDADRO COc1cc(Br)c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1OC ZINC000627269573 653070925 /nfs/dbraw/zinc/07/09/25/653070925.db2.gz UPOXZZQGQUITCY-RYUDHWBXSA-N 1 0 399.285 1.747 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)C[NH2+]1 ZINC000627315411 653071859 /nfs/dbraw/zinc/07/18/59/653071859.db2.gz FHZNJWISWHWNEO-ONGXEEELSA-N 1 0 388.693 1.975 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C[NH2+]1 ZINC000627320571 653072222 /nfs/dbraw/zinc/07/22/22/653072222.db2.gz HKYRWTTWDKNFRA-DOMZBBRYSA-N 1 0 394.313 1.854 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCOCC1 ZINC000627339487 653072799 /nfs/dbraw/zinc/07/27/99/653072799.db2.gz JLSHXQOVTBNODF-CYBMUJFWSA-N 1 0 383.901 1.617 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000627342985 653072845 /nfs/dbraw/zinc/07/28/45/653072845.db2.gz VRBLEFGBVDJRRS-LLVKDONJSA-N 1 0 376.284 1.865 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000627366230 653073699 /nfs/dbraw/zinc/07/36/99/653073699.db2.gz LWRPIERBDRYEHP-NSHDSACASA-N 1 0 376.284 1.565 20 0 GDADRO Cc1csc([C@H](C)NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000627373209 653073865 /nfs/dbraw/zinc/07/38/65/653073865.db2.gz KNWOASJNFXQZSN-GARJFASQSA-N 1 0 378.420 1.614 20 0 GDADRO CCc1ccc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000627378208 653074245 /nfs/dbraw/zinc/07/42/45/653074245.db2.gz GIQYTLZDZWFEKH-GXFFZTMASA-N 1 0 377.432 1.912 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC000627650142 653077105 /nfs/dbraw/zinc/07/71/05/653077105.db2.gz ZJIVPCMMRHYNBA-XUWVNRHRSA-N 1 0 379.913 1.874 20 0 GDADRO [NH3+]C1(CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCOCC1 ZINC000629524742 653168183 /nfs/dbraw/zinc/16/81/83/653168183.db2.gz NZKLAHGFNDIBED-ZDUSSCGKSA-N 1 0 389.315 1.765 20 0 GDADRO COc1cccc(S(=O)(=O)CCN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629564371 653172269 /nfs/dbraw/zinc/17/22/69/653172269.db2.gz TTXTWRJRBGGTLL-IUODEOHRSA-N 1 0 380.432 1.928 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCS1 ZINC000629803169 653183328 /nfs/dbraw/zinc/18/33/28/653183328.db2.gz QZUJXLSGGOXIPV-UPJWGTAASA-N 1 0 381.464 1.572 20 0 GDADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000629821332 653184324 /nfs/dbraw/zinc/18/43/24/653184324.db2.gz IORRHSMNVAXPGZ-JSGCOSHPSA-N 1 0 380.286 1.585 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1[nH]nc(-c2ccccc2)c1Br ZINC000629913252 653192052 /nfs/dbraw/zinc/19/20/52/653192052.db2.gz WZCNVAKKHRMVCV-LBPRGKRZSA-N 1 0 379.258 1.636 20 0 GDADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCC[N@H+]1CC[C@H](O)C1 ZINC000629914248 653193310 /nfs/dbraw/zinc/19/33/10/653193310.db2.gz ZWAUACJAKKOCBH-NSHDSACASA-N 1 0 380.798 1.739 20 0 GDADRO C[NH2+]C1(CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)CCC1 ZINC000629999430 653195541 /nfs/dbraw/zinc/19/55/41/653195541.db2.gz IVUARGIOAWVBKX-UHFFFAOYSA-N 1 0 396.285 1.823 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+]CCOc2ccc3c(c2)OCO3)ccc1Cl ZINC000631046460 653229699 /nfs/dbraw/zinc/22/96/99/653229699.db2.gz HVOYQLRZNJADKG-UHFFFAOYSA-N 1 0 384.841 1.885 20 0 GDADRO CCN1CC[NH+](CCCCNC(=O)COc2ccc(Br)cn2)CC1 ZINC000631273465 653233078 /nfs/dbraw/zinc/23/30/78/653233078.db2.gz OCGHXPNVXXYEPM-UHFFFAOYSA-N 1 0 399.333 1.757 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000631279663 653233306 /nfs/dbraw/zinc/23/33/06/653233306.db2.gz DMULIPSSHVQXJC-UHFFFAOYSA-N 1 0 378.464 1.934 20 0 GDADRO O=C(COc1ccc(Br)cn1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000631386056 653235961 /nfs/dbraw/zinc/23/59/61/653235961.db2.gz JXJOUVNYZMMGRL-ZDUSSCGKSA-N 1 0 398.301 1.840 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000631679401 653243103 /nfs/dbraw/zinc/24/31/03/653243103.db2.gz GFLNKIDIWPFCCN-UHFFFAOYSA-N 1 0 388.291 1.174 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000631685749 653243692 /nfs/dbraw/zinc/24/36/92/653243692.db2.gz ZDYIONWRDNDCQJ-MRXNPFEDSA-N 1 0 387.546 1.920 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)NCc1cccnc1OCC(F)(F)F ZINC000631725602 653246868 /nfs/dbraw/zinc/24/68/68/653246868.db2.gz AYFXIZSPXAVCPD-UHFFFAOYSA-N 1 0 381.420 1.928 20 0 GDADRO CN(Cc1ccc(Br)o1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631737292 653248443 /nfs/dbraw/zinc/24/84/43/653248443.db2.gz LAYFEDPARAUILV-UHFFFAOYSA-N 1 0 394.335 1.441 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)NCc1ccc(OCC(F)(F)F)nc1 ZINC000631744501 653249050 /nfs/dbraw/zinc/24/90/50/653249050.db2.gz VNECYMPEUPOSEC-UHFFFAOYSA-N 1 0 381.420 1.928 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000631790144 653253940 /nfs/dbraw/zinc/25/39/40/653253940.db2.gz HJSBOHRMFIIZQX-UHFFFAOYSA-N 1 0 387.933 1.769 20 0 GDADRO CCc1nc(CN2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)cs1 ZINC000631794527 653254684 /nfs/dbraw/zinc/25/46/84/653254684.db2.gz XSIVBLFNCPNGPK-UHFFFAOYSA-N 1 0 386.587 1.639 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(CNS(=O)(=O)CCC[NH+](C)C)cc1 ZINC000631796683 653255177 /nfs/dbraw/zinc/25/51/77/653255177.db2.gz XYGCIFODYNJCSW-UHFFFAOYSA-N 1 0 391.559 1.087 20 0 GDADRO CN1CCO[C@H](CS(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000631843372 653258724 /nfs/dbraw/zinc/25/87/24/653258724.db2.gz NAYFLNTWRHGJPM-INIZCTEOSA-N 1 0 387.571 1.210 20 0 GDADRO CCN1C[C@@H](S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1=O ZINC000631847423 653259874 /nfs/dbraw/zinc/25/98/74/653259874.db2.gz UUEFXWOUNUOBCD-ZBFHGGJFSA-N 1 0 385.555 1.500 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000631912984 653268112 /nfs/dbraw/zinc/26/81/12/653268112.db2.gz BCMAEXJPSMZNNE-AWEZNQCLSA-N 1 0 376.425 1.126 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000631914746 653268902 /nfs/dbraw/zinc/26/89/02/653268902.db2.gz WNEFYRSLYVJADJ-HUUCEWRRSA-N 1 0 389.315 1.904 20 0 GDADRO Cc1ccc(Cl)cc1N1CC[C@@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631918004 653270251 /nfs/dbraw/zinc/27/02/51/653270251.db2.gz ZQYVGODATXVXBZ-GOEBONIOSA-N 1 0 387.933 1.383 20 0 GDADRO C[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)Oc1cccc(Br)c1 ZINC000631924104 653271657 /nfs/dbraw/zinc/27/16/57/653271657.db2.gz MHLJMEVFQICDJO-SMDDNHRTSA-N 1 0 393.303 1.124 20 0 GDADRO CCOc1cccc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)c1OC(F)F ZINC000631926248 653272414 /nfs/dbraw/zinc/27/24/14/653272414.db2.gz RVMWZDBIXYPWRQ-GFCCVEGCSA-N 1 0 380.413 1.095 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631927410 653272946 /nfs/dbraw/zinc/27/29/46/653272946.db2.gz XZMZKKDNMYCPDH-PWSUYJOCSA-N 1 0 395.294 1.427 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000631928786 653273363 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Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000631949621 653277363 /nfs/dbraw/zinc/27/73/63/653277363.db2.gz LAPFSQVGFPARSG-GFCCVEGCSA-N 1 0 380.436 1.839 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)C[C@H]3CCCC(F)(F)C3)CC2)C1 ZINC000631976387 653283420 /nfs/dbraw/zinc/28/34/20/653283420.db2.gz USSJDHKUNFQFQU-HOTGVXAUSA-N 1 0 379.517 1.854 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCSC[C@@H]2c2ccccc2)CC1 ZINC000631978154 653283795 /nfs/dbraw/zinc/28/37/95/653283795.db2.gz SCEDQMVQGVLHAI-GOSISDBHSA-N 1 0 383.583 1.744 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000631977959 653283858 /nfs/dbraw/zinc/28/38/58/653283858.db2.gz XMKVNXITKIXLLF-CQSZACIVSA-N 1 0 388.555 1.927 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2csc(-c3ccco3)n2)CC1 ZINC000632107903 653306088 /nfs/dbraw/zinc/30/60/88/653306088.db2.gz FRJZWRHAOVJZDF-UHFFFAOYSA-N 1 0 384.527 1.460 20 0 GDADRO Cn1c2ccc(S(=O)(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)cc2sc1=O ZINC000632122314 653308971 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GDADRO C[NH+](C)CC1CN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C1 ZINC000632382079 653350073 /nfs/dbraw/zinc/35/00/73/653350073.db2.gz AEYQOQPZXLDIDA-UHFFFAOYSA-N 1 0 380.919 1.067 20 0 GDADRO CN([C@H](CO)c1ccc(Cl)cc1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632392735 653352024 /nfs/dbraw/zinc/35/20/24/653352024.db2.gz VLZGBEFIQVSCLE-QGZVFWFLSA-N 1 0 389.949 1.273 20 0 GDADRO O=S(=O)(c1cc(F)c(F)cc1F)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632452049 653360257 /nfs/dbraw/zinc/36/02/57/653360257.db2.gz KRVCDHUJINMZSF-UHFFFAOYSA-N 1 0 378.416 1.979 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)cn1 ZINC000632760405 653409732 /nfs/dbraw/zinc/40/97/32/653409732.db2.gz QYGRWZVCRATNLD-UHFFFAOYSA-N 1 0 384.889 1.432 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)ccc1Cl ZINC000632892580 653413537 /nfs/dbraw/zinc/41/35/37/653413537.db2.gz NRSSVFZQMKKFMN-STQMWFEESA-N 1 0 386.905 1.949 20 0 GDADRO O=C(Nc1cc(N2CCOCC2)c(Br)cn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632952085 653416220 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ZINC000633766042 653469099 /nfs/dbraw/zinc/46/90/99/653469099.db2.gz LCRVHMPLCKEKAT-MFKMUULPSA-N 1 0 381.420 1.362 20 0 GDADRO O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000634782118 653498917 /nfs/dbraw/zinc/49/89/17/653498917.db2.gz BZNTWAMGUUFVPA-BETUJISGSA-N 1 0 385.295 1.615 20 0 GDADRO CCN(C(=O)C(=O)NCc1ccc(C)c(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000634906379 653503034 /nfs/dbraw/zinc/50/30/34/653503034.db2.gz MNFAPRWHTHFUHL-CQSZACIVSA-N 1 0 382.302 1.926 20 0 GDADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1)N1CCCC1 ZINC000634952736 653503512 /nfs/dbraw/zinc/50/35/12/653503512.db2.gz IBBMGVJAPLFYIJ-INIZCTEOSA-N 1 0 386.539 1.528 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c(C)s1 ZINC000635429042 653517154 /nfs/dbraw/zinc/51/71/54/653517154.db2.gz AWJQNRCKKIIPNS-HNNXBMFYSA-N 1 0 385.555 1.540 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000637421685 653527979 /nfs/dbraw/zinc/52/79/79/653527979.db2.gz BAUBYEGXUJRCJO-AWEZNQCLSA-N 1 0 378.217 1.593 20 0 GDADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@]2(C)C[NH2+]CCO2)c(F)cc1F ZINC000637973873 653534046 /nfs/dbraw/zinc/53/40/46/653534046.db2.gz NXZKVAJAJOHSSH-OAHLLOKOSA-N 1 0 377.413 1.434 20 0 GDADRO NS(=O)(=O)c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC000637995119 653534345 /nfs/dbraw/zinc/53/43/45/653534345.db2.gz SHZMUWUNTXNBOP-ZDUSSCGKSA-N 1 0 388.331 1.767 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)s1 ZINC000638295560 653537712 /nfs/dbraw/zinc/53/77/12/653537712.db2.gz YZZFBKLCOVYWQT-CYBMUJFWSA-N 1 0 387.552 1.620 20 0 GDADRO O=C(CN1CC[NH2+]CC1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000638323999 653538342 /nfs/dbraw/zinc/53/83/42/653538342.db2.gz MJPCSULKFMWAKL-UHFFFAOYSA-N 1 0 380.246 1.021 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000638344389 653538589 /nfs/dbraw/zinc/53/85/89/653538589.db2.gz PXOIRJWCASGQRS-UHFFFAOYSA-N 1 0 380.436 1.752 20 0 GDADRO 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C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CCc3ccc(Cl)cc3)CC2)C1 ZINC000644857748 653600676 /nfs/dbraw/zinc/60/06/76/653600676.db2.gz BMGULDWUFZTHCW-GOSISDBHSA-N 1 0 385.961 1.924 20 0 GDADRO C[NH+](C)C1CCN(c2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000645033264 653601227 /nfs/dbraw/zinc/60/12/27/653601227.db2.gz MTRGAODXEHWMCR-UHFFFAOYSA-N 1 0 378.274 1.920 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000645115267 653601612 /nfs/dbraw/zinc/60/16/12/653601612.db2.gz RGPSFXOEQONMSB-ZFWWWQNUSA-N 1 0 385.555 1.444 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1sccc1Br ZINC000645187117 653601826 /nfs/dbraw/zinc/60/18/26/653601826.db2.gz DPVABWMQDXQTBL-SNVBAGLBSA-N 1 0 389.319 1.772 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CCC[C@H]1CCOC1 ZINC000645508638 653603437 /nfs/dbraw/zinc/60/34/37/653603437.db2.gz XMJCYYGJLCTVSY-ZWKOTPCHSA-N 1 0 375.579 1.481 20 0 GDADRO COc1ncc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000645558140 653604015 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CN(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)[C@H]1C[NH+]2CCC1CC2 ZINC000775538759 654668219 /nfs/dbraw/zinc/66/82/19/654668219.db2.gz WHNVLHUPZKEDEB-ZDUSSCGKSA-N 1 0 375.853 1.293 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]Cc1ccccc1I ZINC000776173735 654684264 /nfs/dbraw/zinc/68/42/64/654684264.db2.gz IISVGLUDVRILLM-UHFFFAOYSA-N 1 0 394.278 1.806 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000678584412 654691793 /nfs/dbraw/zinc/69/17/93/654691793.db2.gz WVTWSZONMJOVLY-LLVKDONJSA-N 1 0 391.921 1.983 20 0 GDADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)cc1 ZINC000678580087 654691798 /nfs/dbraw/zinc/69/17/98/654691798.db2.gz BLUWUTHNTJYUQO-AWEZNQCLSA-N 1 0 389.543 1.524 20 0 GDADRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000776819470 654708703 /nfs/dbraw/zinc/70/87/03/654708703.db2.gz BDRQIIOENWSAPF-PMPSAXMXSA-N 1 0 375.535 1.505 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1ccnc1 ZINC000742718270 654709162 /nfs/dbraw/zinc/70/91/62/654709162.db2.gz NMJSKMXLMZTGTN-OCCSQVGLSA-N 1 0 385.921 1.827 20 0 GDADRO C[NH+]1CCN(CCNC(=S)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000742979137 654711403 /nfs/dbraw/zinc/71/14/03/654711403.db2.gz NDTZNLKPXSBAPK-UHFFFAOYSA-N 1 0 376.448 1.797 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=S)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000743024284 654712176 /nfs/dbraw/zinc/71/21/76/654712176.db2.gz PFSIGUWBQAFNIX-HNNXBMFYSA-N 1 0 384.571 1.372 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000777316025 654716247 /nfs/dbraw/zinc/71/62/47/654716247.db2.gz WDJCDFLHZHKQIR-ZIAGYGMSSA-N 1 0 387.502 1.125 20 0 GDADRO Cc1cc(N2CCC[C@@H]([N@@H+]3C[C@H](O)C[C@H]3CO)C2=O)ccc1Br ZINC000681167651 654723797 /nfs/dbraw/zinc/72/37/97/654723797.db2.gz GKACAVLCPPSWQO-SQWLQELKSA-N 1 0 383.286 1.680 20 0 GDADRO O=S1(=O)CCC(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000681393671 654728493 /nfs/dbraw/zinc/72/84/93/654728493.db2.gz BSMXIKBZPBFHPV-OAHLLOKOSA-N 1 0 375.487 1.849 20 0 GDADRO CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000778225838 654735867 /nfs/dbraw/zinc/73/58/67/654735867.db2.gz TYHWUAXBCMOSKM-LSDHHAIUSA-N 1 0 375.535 1.505 20 0 GDADRO CC1(C)CN(C[C@H](O)COc2ccc(Br)cc2)CC[N@@H+]1CCO ZINC000682035199 654746166 /nfs/dbraw/zinc/74/61/66/654746166.db2.gz STEMLMCHQCLYCC-HNNXBMFYSA-N 1 0 387.318 1.577 20 0 GDADRO O=S1(=O)CC[C@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000682187300 654749306 /nfs/dbraw/zinc/74/93/06/654749306.db2.gz RYBACDBYXOHBCB-ZWNOBZJWSA-N 1 0 396.278 1.352 20 0 GDADRO CCN(CCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)S(C)(=O)=O ZINC000779019909 654753631 /nfs/dbraw/zinc/75/36/31/654753631.db2.gz ODWQAAHAXBJSCP-CABCVRRESA-N 1 0 377.551 1.893 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000779047346 654754114 /nfs/dbraw/zinc/75/41/14/654754114.db2.gz VGWQIJCYACDQLS-LSDHHAIUSA-N 1 0 377.551 1.989 20 0 GDADRO COC1CC[NH+](CCNC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000682491091 654756118 /nfs/dbraw/zinc/75/61/18/654756118.db2.gz SYXTWILJNGUMPS-UHFFFAOYSA-N 1 0 375.516 1.062 20 0 GDADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000683624776 654780692 /nfs/dbraw/zinc/78/06/92/654780692.db2.gz CYYYGWOJYCDCPT-AWEZNQCLSA-N 1 0 398.301 1.806 20 0 GDADRO C[C@@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000747969870 654797239 /nfs/dbraw/zinc/79/72/39/654797239.db2.gz TVKNOJWYXXEIMD-HUUCEWRRSA-N 1 0 377.551 1.893 20 0 GDADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000684668527 654804032 /nfs/dbraw/zinc/80/40/32/654804032.db2.gz PGBWQSNIAKZPRE-MRXNPFEDSA-N 1 0 379.258 1.415 20 0 GDADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000748651781 654809154 /nfs/dbraw/zinc/80/91/54/654809154.db2.gz NRJBIOOWAXHMQB-NADMHLTPSA-N 1 0 384.523 1.588 20 0 GDADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000748651782 654809179 /nfs/dbraw/zinc/80/91/79/654809179.db2.gz NRJBIOOWAXHMQB-RCMYXZNBSA-N 1 0 384.523 1.588 20 0 GDADRO CN(CCn1cc(Br)cn1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000685081363 654812260 /nfs/dbraw/zinc/81/22/60/654812260.db2.gz XAAKUBJFVHAEGG-UHFFFAOYSA-N 1 0 384.282 1.568 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000685103116 654813439 /nfs/dbraw/zinc/81/34/39/654813439.db2.gz VCJSQEWCFWQPCM-HNNXBMFYSA-N 1 0 382.302 1.926 20 0 GDADRO Cn1c(Cl)ncc1S(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000781752882 654816248 /nfs/dbraw/zinc/81/62/48/654816248.db2.gz VBFJWAHCLPFXTL-CQSZACIVSA-N 1 0 384.889 1.119 20 0 GDADRO O=S(=O)(Cc1ccon1)NCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000685617937 654823447 /nfs/dbraw/zinc/82/34/47/654823447.db2.gz LLIAJBONHNAUIH-UHFFFAOYSA-N 1 0 379.360 1.608 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749323721 654828648 /nfs/dbraw/zinc/82/86/48/654828648.db2.gz PHVPCOGPERATRL-JSGCOSHPSA-N 1 0 391.273 1.781 20 0 GDADRO CC1CC[NH+](CCNC(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC000749350731 654829717 /nfs/dbraw/zinc/82/97/17/654829717.db2.gz XDBXBLZEBHRJOX-UHFFFAOYSA-N 1 0 393.289 1.887 20 0 GDADRO COC[C@]1(C(=O)Nc2ccc(I)cc2F)C[NH2+]CCO1 ZINC000710702462 654834860 /nfs/dbraw/zinc/83/48/60/654834860.db2.gz HEFNMGOUVJSLNP-ZDUSSCGKSA-N 1 0 394.184 1.374 20 0 GDADRO CO[C@]1(C[NH2+]Cc2cccc(I)c2)CCS(=O)(=O)C1 ZINC000721218429 654838437 /nfs/dbraw/zinc/83/84/37/654838437.db2.gz FVTUKHCAMAOMDF-ZDUSSCGKSA-N 1 0 395.262 1.585 20 0 GDADRO C[C@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H]1CCCO1 ZINC000721744127 654839136 /nfs/dbraw/zinc/83/91/36/654839136.db2.gz FYXNJTHJBKVMLV-KKUMJFAQSA-N 1 0 376.519 1.568 20 0 GDADRO CSC1CC([NH2+]CC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC000721751566 654839669 /nfs/dbraw/zinc/83/96/69/654839669.db2.gz HHAAQUXLOUINPA-JXQTWKCFSA-N 1 0 378.560 1.894 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCCC2)C1 ZINC000721904600 654840180 /nfs/dbraw/zinc/84/01/80/654840180.db2.gz PUYAGKTYLWBUND-CABCVRRESA-N 1 0 375.535 1.838 20 0 GDADRO O=c1oc2ccc(Br)cc2n1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000749955008 654844996 /nfs/dbraw/zinc/84/49/96/654844996.db2.gz RAROBBBQMKLORD-ZDUSSCGKSA-N 1 0 396.285 1.969 20 0 GDADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)c(C(F)(F)F)c1 ZINC000726186949 654849246 /nfs/dbraw/zinc/84/92/46/654849246.db2.gz INEAZCOWIANXMX-MNOVXSKESA-N 1 0 382.379 1.986 20 0 GDADRO COC(=O)N1CCC[C@@H](NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000828328488 654861647 /nfs/dbraw/zinc/86/16/47/654861647.db2.gz FQEJSPLHZJHULS-CZUORRHYSA-N 1 0 384.274 1.970 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000727067664 654863472 /nfs/dbraw/zinc/86/34/72/654863472.db2.gz OAPJXCTXFBJPAI-HUUCEWRRSA-N 1 0 391.603 1.117 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000727079700 654865898 /nfs/dbraw/zinc/86/58/98/654865898.db2.gz XIHPVBPBGYZQQL-AWEZNQCLSA-N 1 0 378.608 1.243 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000751066400 654870794 /nfs/dbraw/zinc/87/07/94/654870794.db2.gz QTHXJGPFZHRUBB-UHFFFAOYSA-N 1 0 383.495 1.812 20 0 GDADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc(=O)[nH]cc1Br ZINC000828596170 654874667 /nfs/dbraw/zinc/87/46/67/654874667.db2.gz KUIBGRAVPGCUIX-UHFFFAOYSA-N 1 0 384.274 1.734 20 0 GDADRO CN1CCC(CNC(=O)c2cc(Br)n[nH]2)([NH+]2CCCCC2)CC1 ZINC000828833350 654885436 /nfs/dbraw/zinc/88/54/36/654885436.db2.gz DOKZXNLDPFCXDD-UHFFFAOYSA-N 1 0 384.322 1.852 20 0 GDADRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC2SCCS2)[C@H]1c1ccccc1 ZINC000828854157 654885808 /nfs/dbraw/zinc/88/58/08/654885808.db2.gz VZZXVFVCBWJOKW-GDBMZVCRSA-N 1 0 379.551 1.860 20 0 GDADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)ccc1S(=O)(=O)C(F)F ZINC000800498188 654886694 /nfs/dbraw/zinc/88/66/94/654886694.db2.gz DTHSWYUMNNYROX-NXEZZACHSA-N 1 0 382.404 1.816 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cnc1Br ZINC000784464059 654888689 /nfs/dbraw/zinc/88/86/89/654888689.db2.gz GQEXBSQVJYPPCZ-CYBMUJFWSA-N 1 0 381.274 1.786 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000751479267 654894990 /nfs/dbraw/zinc/89/49/90/654894990.db2.gz MVAHAQQXGVQEQI-GHMZBOCLSA-N 1 0 375.878 1.673 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000801172741 654911762 /nfs/dbraw/zinc/91/17/62/654911762.db2.gz GBMWJODJCFCWBX-ZIAGYGMSSA-N 1 0 399.333 1.989 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN1CCO[C@H](C)C1 ZINC000729682898 654914427 /nfs/dbraw/zinc/91/44/27/654914427.db2.gz GXNWMYIDLZIKGK-TZMCWYRMSA-N 1 0 390.937 1.015 20 0 GDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@@H]2CSCCS2)CC1 ZINC000752062504 654919334 /nfs/dbraw/zinc/91/93/34/654919334.db2.gz AYDCPJGIWDLKLQ-OAHLLOKOSA-N 1 0 387.615 1.968 20 0 GDADRO C[N@H+](CCN1CCCS1(=O)=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000752082055 654919792 /nfs/dbraw/zinc/91/97/92/654919792.db2.gz DDIFNGSDAMPZTJ-OAHLLOKOSA-N 1 0 375.535 1.601 20 0 GDADRO C[C@@H]1C[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000801524541 654926831 /nfs/dbraw/zinc/92/68/31/654926831.db2.gz JXEXMAGHNBJFTK-QLFBSQMISA-N 1 0 375.535 1.503 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000730267280 654927761 /nfs/dbraw/zinc/92/77/61/654927761.db2.gz RLWAKRASLUXHTC-UHFFFAOYSA-N 1 0 391.950 1.355 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000752477820 654928898 /nfs/dbraw/zinc/92/88/98/654928898.db2.gz CCAYFUDFLHSHLD-OAHLLOKOSA-N 1 0 382.262 1.072 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000753372363 654948764 /nfs/dbraw/zinc/94/87/64/654948764.db2.gz RZGPBKUSJTWYBI-UHFFFAOYSA-N 1 0 380.539 1.804 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786814163 654950241 /nfs/dbraw/zinc/95/02/41/654950241.db2.gz CQWMKDZOJRVBRO-KGLIPLIRSA-N 1 0 396.285 1.045 20 0 GDADRO C[C@H]1C[C@@H](CCNC(=S)NCCS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000753673846 654955003 /nfs/dbraw/zinc/95/50/03/654955003.db2.gz QLADTAVBHODSLT-DOTOQJQBSA-N 1 0 383.583 1.796 20 0 GDADRO CCN(CC)S(=O)(=O)N1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000753698428 654955190 /nfs/dbraw/zinc/95/51/90/654955190.db2.gz YWDDDDNRNYWOGD-UHFFFAOYSA-N 1 0 375.535 1.124 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000831021751 654966380 /nfs/dbraw/zinc/96/63/80/654966380.db2.gz KQBKRLOPVMGZLV-AWEZNQCLSA-N 1 0 375.535 1.790 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000787531810 654967173 /nfs/dbraw/zinc/96/71/73/654967173.db2.gz JJJOXYQFRZVNNX-CYBMUJFWSA-N 1 0 390.937 1.592 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831081215 654970765 /nfs/dbraw/zinc/97/07/65/654970765.db2.gz REAILJDRDWPYEY-UHFFFAOYSA-N 1 0 386.699 1.354 20 0 GDADRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CC1 ZINC000754537114 654974427 /nfs/dbraw/zinc/97/44/27/654974427.db2.gz FMFCUCXGDLYQDU-CYBMUJFWSA-N 1 0 388.873 1.613 20 0 GDADRO C[C@H]([NH3+])c1ccc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000831191470 654975546 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COC(=O)N1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000756891240 655029261 /nfs/dbraw/zinc/02/92/61/655029261.db2.gz BIYGMXHPFJUCGY-UHFFFAOYSA-N 1 0 384.274 1.999 20 0 GDADRO CC[S@](=O)CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000805619885 655042477 /nfs/dbraw/zinc/04/24/77/655042477.db2.gz KHQAMAWAPWIHNZ-USCZKRCMSA-N 1 0 385.555 1.132 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000832665989 655043653 /nfs/dbraw/zinc/04/36/53/655043653.db2.gz QPHORBIFMBCGHL-HUUCEWRRSA-N 1 0 377.551 1.941 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805793784 655045792 /nfs/dbraw/zinc/04/57/92/655045792.db2.gz JHQDTBXXBOUYKC-KRWDZBQOSA-N 1 0 375.535 1.649 20 0 GDADRO CN(CCC[NH3+])C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000832781153 655053187 /nfs/dbraw/zinc/05/31/87/655053187.db2.gz CKBQPTUDMPFCPK-ZDUSSCGKSA-N 1 0 389.905 1.218 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCSCc1ccnc(Cl)c1 ZINC000758467592 655061017 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C[NH+](C)C[C@]1(O)CCCN(C(=O)c2nccn3c(Br)cnc23)C1 ZINC000834563170 655072783 /nfs/dbraw/zinc/07/27/83/655072783.db2.gz ABBGUAVLBUHLFW-OAHLLOKOSA-N 1 0 382.262 1.021 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C(=O)c2ccc(Br)s2)C1 ZINC000834569230 655073052 /nfs/dbraw/zinc/07/30/52/655073052.db2.gz KVRYKEWZPWUFLU-AWEZNQCLSA-N 1 0 375.288 1.608 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000834827790 655080273 /nfs/dbraw/zinc/08/02/73/655080273.db2.gz WTSBUSUZESDBNN-OLZOCXBDSA-N 1 0 389.905 1.264 20 0 GDADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC(F)(F)Br)c1 ZINC000807448104 655083949 /nfs/dbraw/zinc/08/39/49/655083949.db2.gz RSRQXLKHNRFEPO-UHFFFAOYSA-N 1 0 394.216 1.669 20 0 GDADRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000835067137 655084833 /nfs/dbraw/zinc/08/48/33/655084833.db2.gz KWTFDCJVFGIGPB-ZNMIVQPWSA-N 1 0 376.519 1.568 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3nc(Br)ccc3F)CC2)C1 ZINC000792181337 655087583 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Cc1cnc(Br)c(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000812993052 655225124 /nfs/dbraw/zinc/22/51/24/655225124.db2.gz GNKIPEUCWQOJHX-UHFFFAOYSA-N 1 0 395.261 1.488 20 0 GDADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1Cc3ccc(Br)cc3C1)C2=O ZINC000764951320 655225722 /nfs/dbraw/zinc/22/57/22/655225722.db2.gz RCADBXDRGZAGNM-UHFFFAOYSA-N 1 0 393.285 1.738 20 0 GDADRO CCNS(=O)(=O)CC[NH2+]Cc1cc(Br)c(O)c(OCC)c1 ZINC000838928265 655232273 /nfs/dbraw/zinc/23/22/73/655232273.db2.gz BPAMZVHQRWPOJH-UHFFFAOYSA-N 1 0 381.292 1.582 20 0 GDADRO COCC[C@@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765578450 655243349 /nfs/dbraw/zinc/24/33/49/655243349.db2.gz WDWITRNBIHPWIT-CHWSQXEVSA-N 1 0 378.516 1.488 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC(NC(=S)NCC[NH+](C)C)CC2)cc1 ZINC000839418170 655246231 /nfs/dbraw/zinc/24/62/31/655246231.db2.gz HECFFTMTHYEQSL-UHFFFAOYSA-N 1 0 384.571 1.174 20 0 GDADRO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000797581826 655246267 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GDADRO O=c1cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)nc2ccc(Br)cn12 ZINC000799179220 655286522 /nfs/dbraw/zinc/28/65/22/655286522.db2.gz DSLQAHJKJOFTJF-MFKMUULPSA-N 1 0 393.241 1.387 20 0 GDADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000767315765 655289479 /nfs/dbraw/zinc/28/94/79/655289479.db2.gz RZJWUEWFBUCKOK-MOVUHUBBSA-N 1 0 384.523 1.539 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC[N@H+](C)C1 ZINC000840504879 655290393 /nfs/dbraw/zinc/29/03/93/655290393.db2.gz SWTITZKQWUKJLM-SWLSCSKDSA-N 1 0 389.279 1.980 20 0 GDADRO O=C1NCCN(C[C@@H](O)C[NH+]2CCCC2)[C@@H]1c1ccccc1Br ZINC000767740540 655303216 /nfs/dbraw/zinc/30/32/16/655303216.db2.gz GJRCTCBUDWRFIK-XJKSGUPXSA-N 1 0 382.302 1.379 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N1CCC([NH3+])CC1 ZINC000841095953 655308614 /nfs/dbraw/zinc/30/86/14/655308614.db2.gz NTGRWULZDLZPKV-UHFFFAOYSA-N 1 0 381.376 1.944 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000841096155 655308715 /nfs/dbraw/zinc/30/87/15/655308715.db2.gz QYIAXDDYADSPTP-VIFPVBQESA-N 1 0 381.376 1.801 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000841096091 655308778 /nfs/dbraw/zinc/30/87/78/655308778.db2.gz OMSQZBZYVUXPPI-WPRPVWTQSA-N 1 0 381.376 1.942 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000841147601 655310354 /nfs/dbraw/zinc/31/03/54/655310354.db2.gz AVUJHXLFCHAAEY-NSHDSACASA-N 1 0 377.242 1.756 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)C1 ZINC000841147600 655310390 /nfs/dbraw/zinc/31/03/90/655310390.db2.gz AVUJHXLFCHAAEY-LLVKDONJSA-N 1 0 377.242 1.756 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cnc(Cl)c1Br ZINC000841149156 655310593 /nfs/dbraw/zinc/31/05/93/655310593.db2.gz HGGMKFQWIXSFBP-UHFFFAOYSA-N 1 0 389.681 1.942 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841155863 655311014 /nfs/dbraw/zinc/31/10/14/655311014.db2.gz ZISYIQOOFPPUFD-UHFFFAOYSA-N 1 0 383.168 1.527 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000841188545 655312975 /nfs/dbraw/zinc/31/29/75/655312975.db2.gz BTHFHQLUBIBYIP-SECBINFHSA-N 1 0 389.681 1.955 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000841193966 655313193 /nfs/dbraw/zinc/31/31/93/655313193.db2.gz GMKONQFCHSIPSD-LLVKDONJSA-N 1 0 377.413 1.255 20 0 GDADRO CCCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000841202861 655313843 /nfs/dbraw/zinc/31/38/43/655313843.db2.gz YGHKJHDLHNBTBY-UHFFFAOYSA-N 1 0 398.257 1.290 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cnc(Cl)c1Br ZINC000841209663 655314235 /nfs/dbraw/zinc/31/42/35/655314235.db2.gz OLDSOXVGUPHDMI-RKDXNWHRSA-N 1 0 389.681 1.940 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)[C@@H](C)C[NH2+]1 ZINC000841210638 655314430 /nfs/dbraw/zinc/31/44/30/655314430.db2.gz SIERMTNVFFYXRG-YUMQZZPRSA-N 1 0 375.654 1.645 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1ccnc(Br)c1 ZINC000841251733 655317463 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1.529 20 0 GDADRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000841723170 655352745 /nfs/dbraw/zinc/35/27/45/655352745.db2.gz NAHSBQXIOIZGTI-ZWNOBZJWSA-N 1 0 376.429 1.416 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NCCc1ccc(Br)cc1F ZINC000841794529 655353759 /nfs/dbraw/zinc/35/37/59/655353759.db2.gz YSRMMICBQMCLKB-UHFFFAOYSA-N 1 0 387.297 1.725 20 0 GDADRO [NH3+]C1(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CCCCC1 ZINC000841811978 655353893 /nfs/dbraw/zinc/35/38/93/655353893.db2.gz JVBZWKGBZBHJCH-UHFFFAOYSA-N 1 0 382.477 1.212 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000841808393 655353898 /nfs/dbraw/zinc/35/38/98/655353898.db2.gz KRVDPCTZCMRMMD-NWDGAFQWSA-N 1 0 386.440 1.117 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000841810624 655353937 /nfs/dbraw/zinc/35/39/37/655353937.db2.gz CAPDVTFHBVCGJP-CYBMUJFWSA-N 1 0 382.477 1.034 20 0 GDADRO O=C(NCCC[C@H]1CCC[NH2+]1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000841814652 655354030 /nfs/dbraw/zinc/35/40/30/655354030.db2.gz VMMPEPUGNIJXFT-CYBMUJFWSA-N 1 0 382.477 1.082 20 0 GDADRO [NH3+]C/C=C/CNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000841865728 655354338 /nfs/dbraw/zinc/35/43/38/655354338.db2.gz FBFSOZSHHPKZBY-OWOJBTEDSA-N 1 0 381.376 1.173 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC=C(Br)C1 ZINC000841993103 655355020 /nfs/dbraw/zinc/35/50/20/655355020.db2.gz SRPGMVJUSGHRTB-LLVKDONJSA-N 1 0 385.228 1.517 20 0 GDADRO CN(Cc1ncc(Cl)n1C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841992634 655355059 /nfs/dbraw/zinc/35/50/59/655355059.db2.gz OCZOBZFLLJCDMB-SNVBAGLBSA-N 1 0 382.818 1.051 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000842012542 655355155 /nfs/dbraw/zinc/35/51/55/655355155.db2.gz XYAPDRIYEIIQQK-IUODEOHRSA-N 1 0 384.274 1.520 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000842020570 655355383 /nfs/dbraw/zinc/35/53/83/655355383.db2.gz KOENYQKYHMGMIW-KGLIPLIRSA-N 1 0 384.933 1.718 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCCc2ccc(Br)cc2F)C1 ZINC000842216600 655359242 /nfs/dbraw/zinc/35/92/42/655359242.db2.gz MTQTZOZXZOINCE-QWHCGFSZSA-N 1 0 386.265 1.633 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000842253273 655360449 /nfs/dbraw/zinc/36/04/49/655360449.db2.gz KCTHJPSCZQEJCO-SMDDNHRTSA-N 1 0 384.274 1.203 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCO[C@H](c3ccccc3Br)C2)CCC1 ZINC000842268085 655360705 /nfs/dbraw/zinc/36/07/05/655360705.db2.gz LXSDGCTXLCYYTG-AWEZNQCLSA-N 1 0 396.285 1.347 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000817989319 655363467 /nfs/dbraw/zinc/36/34/67/655363467.db2.gz FXUOXMXSUTZHJR-DOMZBBRYSA-N 1 0 396.285 1.169 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000817993139 655363798 /nfs/dbraw/zinc/36/37/98/655363798.db2.gz ZWFXOTPXXKHBTI-WFASDCNBSA-N 1 0 398.301 1.009 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000818009951 655364500 /nfs/dbraw/zinc/36/45/00/655364500.db2.gz FHMRBEWFWDZPRJ-GJZGRUSLSA-N 1 0 384.267 1.941 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)/C=C\c2ccc(Br)cc2)CCCO1 ZINC000842485468 655368134 /nfs/dbraw/zinc/36/81/34/655368134.db2.gz UZOYAZYPWXBAON-DEBLGDTFSA-N 1 0 375.288 1.799 20 0 GDADRO C[NH2+]C[C@H](C)c1noc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000842577415 655369153 /nfs/dbraw/zinc/36/91/53/655369153.db2.gz OOBPBVUVQSUEPP-VIFPVBQESA-N 1 0 378.376 1.890 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCCC[NH2+]C)c1 ZINC000842689123 655371292 /nfs/dbraw/zinc/37/12/92/655371292.db2.gz URXGVZBWVLYWMM-UHFFFAOYSA-N 1 0 397.950 1.258 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)s1 ZINC000842698004 655371841 /nfs/dbraw/zinc/37/18/41/655371841.db2.gz VMTVRAOAWQYHAV-MRVPVSSYSA-N 1 0 397.316 1.718 20 0 GDADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000842709349 655372633 /nfs/dbraw/zinc/37/26/33/655372633.db2.gz NFFSZCKQVHHCHR-GFCCVEGCSA-N 1 0 379.404 1.950 20 0 GDADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000842709351 655372703 /nfs/dbraw/zinc/37/27/03/655372703.db2.gz NFFSZCKQVHHCHR-LBPRGKRZSA-N 1 0 379.404 1.950 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000842719837 655373419 /nfs/dbraw/zinc/37/34/19/655373419.db2.gz MMCKITOYTUPPKO-VXNVDRBHSA-N 1 0 397.316 1.655 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000842719996 655373429 /nfs/dbraw/zinc/37/34/29/655373429.db2.gz PPRUPIITVWAZJO-BXKDBHETSA-N 1 0 386.417 1.338 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)[C@H]1C[NH3+] ZINC000842723156 655373641 /nfs/dbraw/zinc/37/36/41/655373641.db2.gz ZFKSXANEDOXIFI-GWCFXTLKSA-N 1 0 380.919 1.491 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000842726848 655373936 /nfs/dbraw/zinc/37/39/36/655373936.db2.gz PJLKLDDEUUQBDP-SKDRFNHKSA-N 1 0 391.287 1.594 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000818564262 655376521 /nfs/dbraw/zinc/37/65/21/655376521.db2.gz YXNOMDITKSXNCU-QWHCGFSZSA-N 1 0 385.917 1.934 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[NH3+])c(Br)cc1Cl ZINC000842782613 655376657 /nfs/dbraw/zinc/37/66/57/655376657.db2.gz QLZFZRADYDCWQG-LURJTMIESA-N 1 0 385.667 1.515 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000818589451 655376815 /nfs/dbraw/zinc/37/68/15/655376815.db2.gz CMVBXCZRRPXUEK-BFQNTYOBSA-N 1 0 385.917 1.996 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccccc3S(=O)(=O)C(F)F)C[C@@H]21 ZINC000842793280 655377570 /nfs/dbraw/zinc/37/75/70/655377570.db2.gz UYICXMSMGKAOOZ-GRYCIOLGSA-N 1 0 394.465 1.431 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC[C@H]1[NH3+] ZINC000842797822 655377888 /nfs/dbraw/zinc/37/78/88/655377888.db2.gz LQQDVOWSOMSOEJ-WDEREUQCSA-N 1 0 382.454 1.431 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000842812704 655378833 /nfs/dbraw/zinc/37/88/33/655378833.db2.gz JDBURTVMNKZQTK-ONGXEEELSA-N 1 0 391.287 1.655 20 0 GDADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)C1 ZINC000842821344 655379584 /nfs/dbraw/zinc/37/95/84/655379584.db2.gz HYCJXZKANXAPCE-SNVBAGLBSA-N 1 0 391.287 1.608 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)ccc1Br ZINC000842832067 655380182 /nfs/dbraw/zinc/38/01/82/655380182.db2.gz SAFATMJOFSVSJB-JTQLQIEISA-N 1 0 391.287 1.656 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)ccc1Br ZINC000842835748 655380385 /nfs/dbraw/zinc/38/03/85/655380385.db2.gz ZVCIRTCWWRWMIA-YMTOWFKASA-N 1 0 375.288 1.928 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842836303 655380452 /nfs/dbraw/zinc/38/04/52/655380452.db2.gz QPXWLZGOTZCRPM-UWVGGRQHSA-N 1 0 386.417 1.256 20 0 GDADRO CCS(=O)(=O)NCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000818955095 655382353 /nfs/dbraw/zinc/38/23/53/655382353.db2.gz IOESOSARFYSZCW-ZDUSSCGKSA-N 1 0 399.738 1.839 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c(Br)o1 ZINC000842896586 655383473 /nfs/dbraw/zinc/38/34/73/655383473.db2.gz XRLQQLIZJYORBE-VIFPVBQESA-N 1 0 395.275 1.639 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccccc1Cl)NC[C@@H]1CCCCO1 ZINC000819053359 655384125 /nfs/dbraw/zinc/38/41/25/655384125.db2.gz IRLHJJWKFGLPFS-BBRMVZONSA-N 1 0 376.906 1.452 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000819056138 655384230 /nfs/dbraw/zinc/38/42/30/655384230.db2.gz ZWVFBPJWAPBDJS-GJZGRUSLSA-N 1 0 376.519 1.161 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000842927293 655384993 /nfs/dbraw/zinc/38/49/93/655384993.db2.gz FETDIIWCEHWVDO-BZPMIXESSA-N 1 0 376.500 1.240 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C(=O)N1c1cnn(C)c1 ZINC000819121673 655386561 /nfs/dbraw/zinc/38/65/61/655386561.db2.gz INYGRTSUEIVHFE-LYRGGWFBSA-N 1 0 393.285 2.000 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1=O ZINC000819129089 655386583 /nfs/dbraw/zinc/38/65/83/655386583.db2.gz ACRJFPVNKIWFLC-QEORTHHSSA-N 1 0 396.285 1.793 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C(=O)N1c1cnn(C)c1 ZINC000819121678 655386624 /nfs/dbraw/zinc/38/66/24/655386624.db2.gz INYGRTSUEIVHFE-XFBWCDHKSA-N 1 0 393.285 2.000 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCN1C1CCOCC1 ZINC000819129103 655386705 /nfs/dbraw/zinc/38/67/05/655386705.db2.gz AIPSTDAFEUXVSI-HZPDHXFCSA-N 1 0 383.286 1.852 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1)C(F)(F)F ZINC000819149205 655386909 /nfs/dbraw/zinc/38/69/09/655386909.db2.gz HFRULYFHSZKAND-GFCCVEGCSA-N 1 0 388.358 1.902 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@@H](O)CCc2ccccc2)CC1)C(F)(F)F ZINC000819150484 655387032 /nfs/dbraw/zinc/38/70/32/655387032.db2.gz SYYJQTBLBHKFRO-HNNXBMFYSA-N 1 0 380.432 1.884 20 0 GDADRO CS(=O)(=O)CC[NH2+]Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000819164751 655387449 /nfs/dbraw/zinc/38/74/49/655387449.db2.gz TXCWYCFXQGMYEN-UHFFFAOYSA-N 1 0 386.470 1.761 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1cccnc1 ZINC000819180687 655387744 /nfs/dbraw/zinc/38/77/44/655387744.db2.gz VUOKBSPBNFKYEA-OAHLLOKOSA-N 1 0 390.292 1.990 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)s1 ZINC000819180952 655387804 /nfs/dbraw/zinc/38/78/04/655387804.db2.gz ZTPNIKHGTSCCHL-AWEZNQCLSA-N 1 0 376.450 1.936 20 0 GDADRO C[C@@](O)(C[NH2+]CC(=O)N1CCOCC1)c1ccc(Br)cc1F ZINC000819210981 655388197 /nfs/dbraw/zinc/38/81/97/655388197.db2.gz ONUQNIWCRGTGJG-OAHLLOKOSA-N 1 0 375.238 1.244 20 0 GDADRO C[C@@](O)(C[NH2+]CC(=O)N1CCOCC1)c1ccc(Br)cc1Cl ZINC000819211030 655388202 /nfs/dbraw/zinc/38/82/02/655388202.db2.gz PYQBWSPIFWVWHS-OAHLLOKOSA-N 1 0 391.693 1.758 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C[C@@H](O)c1c(F)cccc1F)c1cccs1 ZINC000843098546 655388506 /nfs/dbraw/zinc/38/85/06/655388506.db2.gz PHYYXJBAFWEXMO-GXFFZTMASA-N 1 0 377.434 1.484 20 0 GDADRO C[C@](O)(C[NH2+][C@H](CO)CN1CCOCC1)c1ccc(Br)cc1F ZINC000843111530 655388632 /nfs/dbraw/zinc/38/86/32/655388632.db2.gz FZBRDUVFOMUYPF-BBRMVZONSA-N 1 0 391.281 1.078 20 0 GDADRO C[C@@](O)(C[NH2+][C@H](CO)CN1CCOCC1)c1ccc(Br)cc1F ZINC000843111534 655388646 /nfs/dbraw/zinc/38/86/46/655388646.db2.gz FZBRDUVFOMUYPF-XJKSGUPXSA-N 1 0 391.281 1.078 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819248208 655388706 /nfs/dbraw/zinc/38/87/06/655388706.db2.gz NNJSZRZIKUKWBH-CYBMUJFWSA-N 1 0 381.267 1.103 20 0 GDADRO O=C1NC(=O)C2(CCC([NH2+]C[C@@H](O)c3ccc(Br)cc3)CC2)N1 ZINC000819309710 655389537 /nfs/dbraw/zinc/38/95/37/655389537.db2.gz PWZUGDOXACMKFX-MFOWVQHXSA-N 1 0 382.258 1.593 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)COCc1ccc(Cl)cc1)C1CCOCC1 ZINC000819350731 655390403 /nfs/dbraw/zinc/39/04/03/655390403.db2.gz TYWFQSIUABFKTN-INIZCTEOSA-N 1 0 391.917 1.401 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccccc1Br)C1CCOCC1 ZINC000819348394 655390424 /nfs/dbraw/zinc/39/04/24/655390424.db2.gz DDIJQTQZDXVGNJ-OAHLLOKOSA-N 1 0 392.315 1.666 20 0 GDADRO CCS(=O)(=O)CCC[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819368923 655390666 /nfs/dbraw/zinc/39/06/66/655390666.db2.gz UKPJKEAAYQYLQE-QGZVFWFLSA-N 1 0 378.535 1.553 20 0 GDADRO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000843345747 655393089 /nfs/dbraw/zinc/39/30/89/655393089.db2.gz BYKVCFNDCZFOEB-GFCCVEGCSA-N 1 0 375.441 1.553 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)NS(=O)(=O)c1cccnc1Cl ZINC000843351502 655393381 /nfs/dbraw/zinc/39/33/81/655393381.db2.gz YVKRHZHJDOVGNT-UPJWGTAASA-N 1 0 386.905 1.145 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843358048 655393587 /nfs/dbraw/zinc/39/35/87/655393587.db2.gz YGTMFSYWNCFEPM-NEPJUHHUSA-N 1 0 376.910 1.426 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)sc1S(N)(=O)=O ZINC000819718865 655394707 /nfs/dbraw/zinc/39/47/07/655394707.db2.gz IXACFDXPEGLSRV-VHSXEESVSA-N 1 0 377.919 1.524 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1Cl ZINC000819718388 655394724 /nfs/dbraw/zinc/39/47/24/655394724.db2.gz XMORYVXMBOILSF-DZGCQCFKSA-N 1 0 385.917 1.757 20 0 GDADRO C[C@@H](CC(=O)NC[C@]1(C)CCC[NH2+]C1)NS(=O)(=O)c1cccnc1Cl ZINC000843454770 655395238 /nfs/dbraw/zinc/39/52/38/655395238.db2.gz WGHQORVJDPCECE-BLLLJJGKSA-N 1 0 388.921 1.298 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843471734 655395919 /nfs/dbraw/zinc/39/59/19/655395919.db2.gz LYGOHFNYHZNDQZ-JQWIXIFHSA-N 1 0 380.495 1.168 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843477908 655396248 /nfs/dbraw/zinc/39/62/48/655396248.db2.gz CBUZWHCNXUMGFY-LLVKDONJSA-N 1 0 382.511 1.545 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)ccc1Cl ZINC000843506533 655397274 /nfs/dbraw/zinc/39/72/74/655397274.db2.gz MODHVNAHUONXRH-ZDUSSCGKSA-N 1 0 385.917 1.995 20 0 GDADRO [NH3+]CCCCCCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000843510074 655397278 /nfs/dbraw/zinc/39/72/78/655397278.db2.gz 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CSc1ccc([C@@H](CNC(=O)C[C@]2(C)CCS(=O)(=O)N2)[NH+](C)C)cc1 ZINC000820835053 655417966 /nfs/dbraw/zinc/41/79/66/655417966.db2.gz KULUFUZRAXKMSQ-WBVHZDCISA-N 1 0 385.555 1.599 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[C@]2(C)CC2(Cl)Cl)CC1=O ZINC000820852816 655418187 /nfs/dbraw/zinc/41/81/87/655418187.db2.gz NPUGKSLWCMOJEF-SWLSCSKDSA-N 1 0 380.316 1.256 20 0 GDADRO O=C(NCc1noc([C@]23C[NH2+]C[C@H]2COC3)n1)c1ccc(Br)cc1 ZINC000844919165 655421040 /nfs/dbraw/zinc/42/10/40/655421040.db2.gz HAPMJAHSZRDRSS-ZBEGNZNMSA-N 1 0 393.241 1.250 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Br)cn2ncnc12 ZINC000821052153 655421469 /nfs/dbraw/zinc/42/14/69/655421469.db2.gz KBBJOZFSKRAIOA-GFCCVEGCSA-N 1 0 382.262 1.068 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccncc2NC(=O)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000821355060 655427214 /nfs/dbraw/zinc/42/72/14/655427214.db2.gz RKLPHGZXKLDIAT-NWDGAFQWSA-N 1 0 376.404 1.700 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCn2cnc(Br)n2)CC1 ZINC000821362372 655427329 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C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000849423178 655532562 /nfs/dbraw/zinc/53/25/62/655532562.db2.gz ITKHITPTSCLDLH-LBPRGKRZSA-N 1 0 382.452 1.651 20 0 GDADRO OCCO[C@@]1(C[NH2+]Cc2ccccc2I)CCOC1 ZINC000850357682 655552857 /nfs/dbraw/zinc/55/28/57/655552857.db2.gz RKBOFOFSEUDNCR-CQSZACIVSA-N 1 0 377.222 1.549 20 0 GDADRO OCCO[C@]1(C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CCOC1 ZINC000850358141 655552894 /nfs/dbraw/zinc/55/28/94/655552894.db2.gz IBAVWVXGEHORQX-KRWDZBQOSA-N 1 0 375.824 1.782 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1CCC(O)CC1 ZINC000850395238 655554211 /nfs/dbraw/zinc/55/42/11/655554211.db2.gz OZEWAJQYVADGMY-MOKVOYLWSA-N 1 0 375.922 1.845 20 0 GDADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850519003 655557136 /nfs/dbraw/zinc/55/71/36/655557136.db2.gz GSISRDGJWZIMJT-LLVKDONJSA-N 1 0 382.404 1.979 20 0 GDADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCC2([NH3+])CCCC2)cc1 ZINC000850590604 655559489 /nfs/dbraw/zinc/55/94/89/655559489.db2.gz 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GDADRO [NH3+][C@@H](C(=O)N1CCC(n2nncc2I)CC1)C1CCC1 ZINC000852860743 655624269 /nfs/dbraw/zinc/62/42/69/655624269.db2.gz IZCSEIVKEARNNB-GFCCVEGCSA-N 1 0 389.241 1.174 20 0 GDADRO C[C@@H]([NH3+])CCC(=O)N1CCC(n2nncc2I)CC1 ZINC000852861395 655624446 /nfs/dbraw/zinc/62/44/46/655624446.db2.gz UFHOIPGPABGHAO-SECBINFHSA-N 1 0 377.230 1.174 20 0 GDADRO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCn2ncc(Br)c2C1 ZINC000852867893 655624669 /nfs/dbraw/zinc/62/46/69/655624669.db2.gz GJNROBKTNIDIKB-UHFFFAOYSA-N 1 0 380.246 1.757 20 0 GDADRO O=C(C=C1CC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000852890295 655625367 /nfs/dbraw/zinc/62/53/67/655625367.db2.gz TZPDGGIPBCWIFI-INIZCTEOSA-N 1 0 378.270 1.758 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NCc2ccc(Br)cc2N2CCOCC2)=NO1 ZINC000852895008 655625697 /nfs/dbraw/zinc/62/56/97/655625697.db2.gz WNFZSGOTOKDNLS-CYBMUJFWSA-N 1 0 397.273 1.006 20 0 GDADRO C[C@@]1(C(=O)N2CCC(n3nncc3I)CC2)CCC[NH2+]1 ZINC000852907552 655627453 /nfs/dbraw/zinc/62/74/53/655627453.db2.gz DIJHEAGXLOHWTF-ZDUSSCGKSA-N 1 0 389.241 1.188 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)Cc1ccccc1 ZINC000853236073 655637135 /nfs/dbraw/zinc/63/71/35/655637135.db2.gz QCYLOIJSRPQKDL-PWECECGKSA-N 1 0 379.448 1.770 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000853820155 655651007 /nfs/dbraw/zinc/65/10/07/655651007.db2.gz IPGKSFDHCTZLFL-HZPDHXFCSA-N 1 0 375.535 1.144 20 0 GDADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000854015334 655655891 /nfs/dbraw/zinc/65/58/91/655655891.db2.gz LDIDATVENIWZJB-UHFFFAOYSA-N 1 0 393.237 1.678 20 0 GDADRO C[NH+](C)CCNC(=O)c1cnn(-c2ccccc2)c1I ZINC000854145032 655657518 /nfs/dbraw/zinc/65/75/18/655657518.db2.gz RUNDUUNYLQHPIY-UHFFFAOYSA-N 1 0 384.221 1.768 20 0 GDADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854352563 655663591 /nfs/dbraw/zinc/66/35/91/655663591.db2.gz GEYWGXGRBMULNP-LLVKDONJSA-N 1 0 376.498 1.815 20 0 GDADRO C[NH+]1CCC(ONC(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000854357684 655664198 /nfs/dbraw/zinc/66/41/98/655664198.db2.gz KIFYGFITNMRCOY-UHFFFAOYSA-N 1 0 381.234 1.180 20 0 GDADRO C[NH+]1CCC2(CCN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)C2)CC1 ZINC000854498743 655668407 /nfs/dbraw/zinc/66/84/07/655668407.db2.gz VXPYFAQLRWXFCE-UHFFFAOYSA-N 1 0 389.880 1.684 20 0 GDADRO CC(C)(C)n1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1Br ZINC000854690033 655674057 /nfs/dbraw/zinc/67/40/57/655674057.db2.gz OBQUWZCHFHGRNB-LBPRGKRZSA-N 1 0 387.322 1.977 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1csc(I)n1 ZINC000854689414 655674072 /nfs/dbraw/zinc/67/40/72/655674072.db2.gz CTEAGSXUCVMVAQ-SECBINFHSA-N 1 0 395.266 1.324 20 0 GDADRO C[NH+]1CCN(c2cc(C(=O)NCc3cc(Br)no3)ccn2)CC1 ZINC000854707284 655674455 /nfs/dbraw/zinc/67/44/55/655674455.db2.gz LZHINZVARQKPMW-UHFFFAOYSA-N 1 0 380.246 1.514 20 0 GDADRO Cn1ncc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1Br ZINC000855404847 655693102 /nfs/dbraw/zinc/69/31/02/655693102.db2.gz XRAZHKQXPAZJKJ-AWEZNQCLSA-N 1 0 393.285 1.679 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1cn2c(Br)cnc2s1 ZINC000855414536 655693784 /nfs/dbraw/zinc/69/37/84/655693784.db2.gz GLSHXBZFCPYXKL-UHFFFAOYSA-N 1 0 388.335 1.772 20 0 GDADRO CCN(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)[C@@H]1CC[N@H+](CC)C1 ZINC000855492080 655695163 /nfs/dbraw/zinc/69/51/63/655695163.db2.gz VSFQPQAYXLNDFP-SNVBAGLBSA-N 1 0 377.869 1.683 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)CC2C[NH+](C)C2)ccc1Cl ZINC000855640047 655698657 /nfs/dbraw/zinc/69/86/57/655698657.db2.gz RHCZNCHPGJLADI-UHFFFAOYSA-N 1 0 375.878 1.156 20 0 GDADRO C[N@H+](CC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCSC1 ZINC000856330795 655711733 /nfs/dbraw/zinc/71/17/33/655711733.db2.gz NRONLKDNXQCEEE-MGPQQGTHSA-N 1 0 375.510 1.887 20 0 GDADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3cscn3)C2)ccn1 ZINC000856544334 655714450 /nfs/dbraw/zinc/71/44/50/655714450.db2.gz KJXFDYPBTFDXDE-OAHLLOKOSA-N 1 0 382.511 1.832 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856819719 655719723 /nfs/dbraw/zinc/71/97/23/655719723.db2.gz YYRKZHOWTGGCNI-RHSMWYFYSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000857114639 655728030 /nfs/dbraw/zinc/72/80/30/655728030.db2.gz YSVNGFKXKVIOFR-RYUDHWBXSA-N 1 0 398.305 1.942 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1c(Br)nc2n1CCOC2 ZINC000857150060 655729190 /nfs/dbraw/zinc/72/91/90/655729190.db2.gz LFSQDJBFCBJNRU-UHFFFAOYSA-N 1 0 397.273 1.973 20 0 GDADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCn2ncc(Br)c2C1 ZINC000857328968 655734587 /nfs/dbraw/zinc/73/45/87/655734587.db2.gz ACLREFJHMGFRCN-OAHLLOKOSA-N 1 0 385.306 1.781 20 0 GDADRO NS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000857341090 655735477 /nfs/dbraw/zinc/73/54/77/655735477.db2.gz OEOKAWREWHEMEK-UHFFFAOYSA-N 1 0 385.917 1.839 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857714475 655739713 /nfs/dbraw/zinc/73/97/13/655739713.db2.gz PPABLLSNMWVTQL-NWDGAFQWSA-N 1 0 383.290 1.732 20 0 GDADRO C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)C1CCS(=O)(=O)CC1 ZINC000858501875 655748920 /nfs/dbraw/zinc/74/89/20/655748920.db2.gz VGQAQVBCIZILAC-AWEZNQCLSA-N 1 0 378.535 1.673 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000858606763 655749967 /nfs/dbraw/zinc/74/99/67/655749967.db2.gz KKUVDRKOIYXUSO-NSHDSACASA-N 1 0 379.404 1.808 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@]4(CCC[NH2+]4)C3)c(Cl)cc21 ZINC000858614479 655750470 /nfs/dbraw/zinc/75/04/70/655750470.db2.gz MNKRYUGWKJKPGT-QGZVFWFLSA-N 1 0 383.901 1.766 20 0 GDADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(Br)nc2F)CCSC1 ZINC000859051071 655760506 /nfs/dbraw/zinc/76/05/06/655760506.db2.gz AHQGACLGDITOAA-GFCCVEGCSA-N 1 0 398.323 1.699 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)nc2F)C[C@@H]1[NH+](C)C ZINC000859084487 655762494 /nfs/dbraw/zinc/76/24/94/655762494.db2.gz FLDWBMSYBSJTCZ-DTWKUNHWSA-N 1 0 398.323 1.649 20 0 GDADRO CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC[NH2+]1 ZINC000859233600 655770617 /nfs/dbraw/zinc/77/06/17/655770617.db2.gz UERANAVUYPYTRO-ZDUSSCGKSA-N 1 0 379.404 1.806 20 0 GDADRO CC(C)S(=O)(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 ZINC000860050557 655794338 /nfs/dbraw/zinc/79/43/38/655794338.db2.gz XWOZODKCJFYJOP-XUXIUFHCSA-N 1 0 382.448 1.541 20 0 GDADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000861351183 655820009 /nfs/dbraw/zinc/82/00/09/655820009.db2.gz SPSMRJJZLRZJBJ-DOMZBBRYSA-N 1 0 376.500 1.069 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CCOCC1 ZINC000861514061 655824124 /nfs/dbraw/zinc/82/41/24/655824124.db2.gz XOVKTGHVASWYRC-UHFFFAOYSA-N 1 0 391.653 1.060 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861543063 655825525 /nfs/dbraw/zinc/82/55/25/655825525.db2.gz WYSZNZNVFZTPME-ZETCQYMHSA-N 1 0 390.209 1.119 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000861733662 655829457 /nfs/dbraw/zinc/82/94/57/655829457.db2.gz ZWHPYTVQLOLNOT-DGCLKSJQSA-N 1 0 387.311 1.884 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000861740266 655829584 /nfs/dbraw/zinc/82/95/84/655829584.db2.gz OVTJSECYBSSKFY-OLZOCXBDSA-N 1 0 397.317 1.197 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000862336348 655844580 /nfs/dbraw/zinc/84/45/80/655844580.db2.gz BYHRMOJZHFXBSP-LLVKDONJSA-N 1 0 383.461 1.384 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862369526 655845356 /nfs/dbraw/zinc/84/53/56/655845356.db2.gz VTEMBZHSBMECAZ-ZNMIVQPWSA-N 1 0 376.519 1.425 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862385104 655845472 /nfs/dbraw/zinc/84/54/72/655845472.db2.gz PFKCVWHPNRSCPZ-QWHCGFSZSA-N 1 0 379.523 1.276 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000862647551 655850630 /nfs/dbraw/zinc/85/06/30/655850630.db2.gz ODASGGFYLHSBBL-JTQLQIEISA-N 1 0 378.782 1.823 20 0 GDADRO Cn1ncc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1I ZINC000863032645 655860456 /nfs/dbraw/zinc/86/04/56/655860456.db2.gz QGDVPGHNPJUNMS-NSHDSACASA-N 1 0 388.253 1.771 20 0 GDADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(Br)nn2C)CC1 ZINC000863492335 655874389 /nfs/dbraw/zinc/87/43/89/655874389.db2.gz SKUSGDKCJHVVKN-UHFFFAOYSA-N 1 0 385.306 1.900 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000863642566 655878064 /nfs/dbraw/zinc/87/80/64/655878064.db2.gz SIFIEOBOZNVSBD-CVEARBPZSA-N 1 0 396.285 1.912 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000863753915 655879837 /nfs/dbraw/zinc/87/98/37/655879837.db2.gz LGWNUUBOQAJQNR-RISCZKNCSA-N 1 0 384.274 1.155 20 0 GDADRO C[NH2+]C1(CNC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)CCC1 ZINC000863923332 655883614 /nfs/dbraw/zinc/88/36/14/655883614.db2.gz OYYMHZNXMDHPGB-UHFFFAOYSA-N 1 0 389.905 1.137 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000864051110 655888015 /nfs/dbraw/zinc/88/80/15/655888015.db2.gz AVTYMNQNPGMXIE-CLFVBBPSSA-N 1 0 381.283 1.804 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(I)n1 ZINC000864051196 655888044 /nfs/dbraw/zinc/88/80/44/655888044.db2.gz CUVZHRVTFCPHNP-PJYBLOJUSA-N 1 0 381.283 1.804 20 0 GDADRO Cn1cc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c(I)n1 ZINC000864054564 655888240 /nfs/dbraw/zinc/88/82/40/655888240.db2.gz VMDLYIJWUGOKCP-GFCCVEGCSA-N 1 0 391.253 1.700 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000864070337 655889256 /nfs/dbraw/zinc/88/92/56/655889256.db2.gz PHFDJEHLMPWVAP-ZJUUUORDSA-N 1 0 388.253 1.925 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000864078364 655889636 /nfs/dbraw/zinc/88/96/36/655889636.db2.gz WHSDHZWGRADTLX-ZIAGYGMSSA-N 1 0 388.253 1.737 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000864088875 655890078 /nfs/dbraw/zinc/89/00/78/655890078.db2.gz KBPRASADXVKOBX-KPXOXKRLSA-N 1 0 388.253 1.531 20 0 GDADRO C[NH+](C)Cc1cccc(CNC(=O)Cn2ccc(Br)cc2=O)c1 ZINC000864708716 655904931 /nfs/dbraw/zinc/90/49/31/655904931.db2.gz JPYHXYAYBVVFPU-UHFFFAOYSA-N 1 0 378.270 1.989 20 0 GDADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(I)nn1C ZINC000865176793 655913815 /nfs/dbraw/zinc/91/38/15/655913815.db2.gz ZBUOOTVBYNSMKW-UHFFFAOYSA-N 1 0 378.258 1.685 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000865178023 655913824 /nfs/dbraw/zinc/91/38/24/655913824.db2.gz OQEKBTZWVZCTNR-UHFFFAOYSA-N 1 0 376.270 1.859 20 0 GDADRO CC(C)[C@H]1CN(C(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+]1C ZINC000865268943 655915936 /nfs/dbraw/zinc/91/59/36/655915936.db2.gz UAPUDBZUCQKSKK-MRXNPFEDSA-N 1 0 384.571 1.906 20 0 GDADRO CC(C)[NH+]1CCN(CCCN2C(=O)c3c(cccc3Cl)S2(=O)=O)CC1 ZINC000865389608 655918577 /nfs/dbraw/zinc/91/85/77/655918577.db2.gz BXTJMKUJHCLEQD-UHFFFAOYSA-N 1 0 385.917 1.901 20 0 GDADRO COCCc1ncc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)s1 ZINC000865488474 655920620 /nfs/dbraw/zinc/92/06/20/655920620.db2.gz DMQCKMVWOWWLLP-UHFFFAOYSA-N 1 0 387.449 1.736 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1S(N)(=O)=O ZINC000865540648 655921523 /nfs/dbraw/zinc/92/15/23/655921523.db2.gz VFQZVUJPOADNKM-NSHDSACASA-N 1 0 376.320 1.875 20 0 GDADRO Cn1ncc(Br)c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000865747666 655925750 /nfs/dbraw/zinc/92/57/50/655925750.db2.gz PFQFPRIQONEUHR-AAEUAGOBSA-N 1 0 389.294 1.643 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]Cc3cc(Br)cc4c3OCC4)COCCN12 ZINC000865771142 655926277 /nfs/dbraw/zinc/92/62/77/655926277.db2.gz XPSCUTKPXZLBEE-MRXNPFEDSA-N 1 0 383.242 1.695 20 0 GDADRO CC[NH+](CC)CCCCNC(=O)c1cc(I)nn1C ZINC000865793455 655926828 /nfs/dbraw/zinc/92/68/28/655926828.db2.gz LKQZIQWNADAVOC-UHFFFAOYSA-N 1 0 378.258 1.877 20 0 GDADRO O=C1COC[C@]2(C[NH2+]Cc3c(F)ccc(Br)c3F)COCCN12 ZINC000865796119 655927068 /nfs/dbraw/zinc/92/70/68/655927068.db2.gz QELJSDPMYQVNHW-HNNXBMFYSA-N 1 0 391.212 1.445 20 0 GDADRO O=C1COC[C@@]2(C[NH2+]Cc3c(Cl)nc4cc(Cl)ccn43)COCCN12 ZINC000865796337 655927106 /nfs/dbraw/zinc/92/71/06/655927106.db2.gz RVPAZBGUGSBYNJ-MRXNPFEDSA-N 1 0 385.251 1.359 20 0 GDADRO CC(C)(C[NH2+]Cc1cccc(I)c1)CS(N)(=O)=O ZINC000865813849 655927501 /nfs/dbraw/zinc/92/75/01/655927501.db2.gz KLKQQLYVZJGPBG-UHFFFAOYSA-N 1 0 382.267 1.696 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(C)nc3sc(C)nn23)cc1 ZINC000865817500 655927670 /nfs/dbraw/zinc/92/76/70/655927670.db2.gz AJIYCZMCOBCATR-UHFFFAOYSA-N 1 0 379.511 1.648 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000865869005 655928860 /nfs/dbraw/zinc/92/88/60/655928860.db2.gz STYLWFBJQGVZCB-MRVPVSSYSA-N 1 0 388.175 1.751 20 0 GDADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)no1 ZINC000865941826 655930896 /nfs/dbraw/zinc/93/08/96/655930896.db2.gz JBXJWMQDOUYNPG-INIZCTEOSA-N 1 0 380.242 1.804 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Br)no1 ZINC000865971548 655931620 /nfs/dbraw/zinc/93/16/20/655931620.db2.gz GYXRYAFCDURWEH-ZDUSSCGKSA-N 1 0 380.242 1.934 20 0 GDADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Br)no1 ZINC000866018335 655933039 /nfs/dbraw/zinc/93/30/39/655933039.db2.gz IMMLUKLMOVLGOL-CYBMUJFWSA-N 1 0 380.242 1.934 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(I)nn1C ZINC000866047272 655933814 /nfs/dbraw/zinc/93/38/14/655933814.db2.gz XTXMQFWRJZVAIU-NXEZZACHSA-N 1 0 376.242 1.437 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(I)nn2C)C1 ZINC000866182310 655935503 /nfs/dbraw/zinc/93/55/03/655935503.db2.gz QGCKPNZGJSGBSJ-NSHDSACASA-N 1 0 390.269 1.829 20 0 GDADRO CCOC(=O)C1(C)CC([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000866264841 655936657 /nfs/dbraw/zinc/93/66/57/655936657.db2.gz FGMYGZAVVAMUIR-UHFFFAOYSA-N 1 0 386.436 1.869 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866260341 655936674 /nfs/dbraw/zinc/93/66/74/655936674.db2.gz ULEBLCODYSLVFI-GFCCVEGCSA-N 1 0 386.905 1.709 20 0 GDADRO Cn1nc(I)cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000866352795 655938162 /nfs/dbraw/zinc/93/81/62/655938162.db2.gz TVPNRVLFARLDIB-UHFFFAOYSA-N 1 0 385.209 1.734 20 0 GDADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1nc[nH]c1Br)Cc1ccccc1 ZINC000866409598 655941031 /nfs/dbraw/zinc/94/10/31/655941031.db2.gz OLXBEJYOQHSUBI-GFCCVEGCSA-N 1 0 387.303 1.623 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)NCCC[NH+]1CCCC1)C(F)(F)F ZINC000866427037 655942305 /nfs/dbraw/zinc/94/23/05/655942305.db2.gz HCOZXIPRDVBUHS-UHFFFAOYSA-N 1 0 379.404 1.952 20 0 GDADRO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc(Br)ncc1F ZINC000866552236 655948984 /nfs/dbraw/zinc/94/89/84/655948984.db2.gz HGIKIBZXVYYWSM-BMIGLBTASA-N 1 0 388.237 1.262 20 0 GDADRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(F)c(Br)c1 ZINC000866554013 655949210 /nfs/dbraw/zinc/94/92/10/655949210.db2.gz FTJISUDVKYFANJ-BDJLRTHQSA-N 1 0 387.249 1.867 20 0 GDADRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000866734247 655957434 /nfs/dbraw/zinc/95/74/34/655957434.db2.gz CQEMOJZHBPKKKS-UHFFFAOYSA-N 1 0 389.543 1.266 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cn(C)nc1Br ZINC000866739902 655957763 /nfs/dbraw/zinc/95/77/63/655957763.db2.gz HYHCXNYVHCOTMG-UHFFFAOYSA-N 1 0 397.339 1.162 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)Cc2c(Br)cccc2OC)C1 ZINC000866739513 655957774 /nfs/dbraw/zinc/95/77/74/655957774.db2.gz BHBUPYIWQKFLGT-LLVKDONJSA-N 1 0 377.304 1.829 20 0 GDADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1nc[nH]c1Br ZINC000866740700 655957948 /nfs/dbraw/zinc/95/79/48/655957948.db2.gz UPJPBZFKZMSCDV-UHFFFAOYSA-N 1 0 393.307 1.096 20 0 GDADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000866755321 655959242 /nfs/dbraw/zinc/95/92/42/655959242.db2.gz VTVGEYCVINKKOW-LLVKDONJSA-N 1 0 379.404 1.808 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2)C(F)(F)F ZINC000866766808 655960640 /nfs/dbraw/zinc/96/06/40/655960640.db2.gz YQYTZKFIGJLKNL-LBPRGKRZSA-N 1 0 377.388 1.608 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000866769408 655960994 /nfs/dbraw/zinc/96/09/94/655960994.db2.gz MMEWKLPPNZJTMX-NSHDSACASA-N 1 0 379.404 1.998 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c(Br)n1 ZINC000866769784 655961107 /nfs/dbraw/zinc/96/11/07/655961107.db2.gz PKCINOYHZZRYKL-GHMZBOCLSA-N 1 0 377.308 1.478 20 0 GDADRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000866777877 655962369 /nfs/dbraw/zinc/96/23/69/655962369.db2.gz YGDOSOSZPLKDAF-GJZGRUSLSA-N 1 0 375.516 1.093 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C(F)(F)F ZINC000866778638 655962562 /nfs/dbraw/zinc/96/25/62/655962562.db2.gz BCASIKRNRWTDAL-JGVFFNPUSA-N 1 0 394.341 1.587 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000866790740 655963954 /nfs/dbraw/zinc/96/39/54/655963954.db2.gz TZWMDTMKOPILOG-RKDXNWHRSA-N 1 0 381.267 1.812 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH3+])C[C@@H]2C)ccc1Br ZINC000866791581 655964071 /nfs/dbraw/zinc/96/40/71/655964071.db2.gz FOAMVMKGNKMZLW-IUCAKERBSA-N 1 0 377.260 1.346 20 0 GDADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c[nH]nc1C(F)(F)F ZINC000866792134 655964224 /nfs/dbraw/zinc/96/42/24/655964224.db2.gz UKJXQMNUNLJPGC-NSHDSACASA-N 1 0 382.408 1.350 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866792192 655964236 /nfs/dbraw/zinc/96/42/36/655964236.db2.gz WDXIQHZYIVWXNH-AOOOYVTPSA-N 1 0 379.251 1.722 20 0 GDADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000866795303 655964576 /nfs/dbraw/zinc/96/45/76/655964576.db2.gz WWRMXXVGOLYKTC-UHFFFAOYSA-N 1 0 377.388 1.832 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000866806752 655965870 /nfs/dbraw/zinc/96/58/70/655965870.db2.gz AICBFWFHGMEGDP-UMSPYCQHSA-N 1 0 393.303 1.490 20 0 GDADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)C1 ZINC000866814186 655966409 /nfs/dbraw/zinc/96/64/09/655966409.db2.gz MQHUVQVWOVNKHJ-KRWDZBQOSA-N 1 0 386.539 1.501 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(Cl)s1 ZINC000866828391 655967762 /nfs/dbraw/zinc/96/77/62/655967762.db2.gz WQGBZTMFZZMKNG-DTWKUNHWSA-N 1 0 384.932 1.320 20 0 GDADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000866864112 655971728 /nfs/dbraw/zinc/97/17/28/655971728.db2.gz UCSVLKGYHNKPMY-ZFWWWQNUSA-N 1 0 375.535 1.598 20 0 GDADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000866955187 655981403 /nfs/dbraw/zinc/98/14/03/655981403.db2.gz CODCNZVXGCYHGA-LSDHHAIUSA-N 1 0 377.551 1.893 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)N=[S@@](C)(=O)c3ccccc3F)CC[C@H]21 ZINC000866973001 655983395 /nfs/dbraw/zinc/98/33/95/655983395.db2.gz XXWYQFLCZUEAIC-CAQPCFEESA-N 1 0 389.518 1.943 20 0 GDADRO C[C@H](C[C@@H](O)c1cccs1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000867000666 655985835 /nfs/dbraw/zinc/98/58/35/655985835.db2.gz LHXZGHOAIMZVLR-HUUCEWRRSA-N 1 0 375.560 1.117 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C[C@H]1[NH+](C)C ZINC000867025764 655988623 /nfs/dbraw/zinc/98/86/23/655988623.db2.gz QMLVAHUVHGNIGL-KGLIPLIRSA-N 1 0 393.575 1.161 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c1Br ZINC000867041989 655990527 /nfs/dbraw/zinc/99/05/27/655990527.db2.gz XKQQCNDIVCMQEQ-UHFFFAOYSA-N 1 0 377.308 1.432 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000867107775 655995803 /nfs/dbraw/zinc/99/58/03/655995803.db2.gz CVTXAMNPUJDXOC-AWEZNQCLSA-N 1 0 377.304 1.244 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000867147823 656002508 /nfs/dbraw/zinc/00/25/08/656002508.db2.gz OWAKUGZNDVBIQD-ZDUSSCGKSA-N 1 0 377.913 1.925 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000867147438 656002525 /nfs/dbraw/zinc/00/25/25/656002525.db2.gz KPTZBGKHHDFPLF-AWEZNQCLSA-N 1 0 375.535 1.647 20 0 GDADRO O=S(=O)(c1cnc(Cl)c(F)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000867400239 656052709 /nfs/dbraw/zinc/05/27/09/656052709.db2.gz WYCRMQHYARBPTF-UHFFFAOYSA-N 1 0 377.869 1.750 20 0 GDADRO COc1cc(I)ccc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000867420289 656057216 /nfs/dbraw/zinc/05/72/16/656057216.db2.gz SPCWSYXPRIEORS-CQSZACIVSA-N 1 0 390.221 1.096 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(C=O)s2)c1 ZINC000867427220 656059042 /nfs/dbraw/zinc/05/90/42/656059042.db2.gz LGTVPUZCHQPJRY-UHFFFAOYSA-N 1 0 381.479 1.653 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1Br ZINC000867496508 656070495 /nfs/dbraw/zinc/07/04/95/656070495.db2.gz IRLMUFGIEHBJLZ-SNVBAGLBSA-N 1 0 379.324 1.581 20 0 GDADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000867526389 656077084 /nfs/dbraw/zinc/07/70/84/656077084.db2.gz QKRXLIPLJCYHBP-HNNXBMFYSA-N 1 0 375.535 1.599 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000867530738 656078529 /nfs/dbraw/zinc/07/85/29/656078529.db2.gz CGWGKRAFZUNCAA-MRXNPFEDSA-N 1 0 385.555 1.851 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1Br ZINC000867555378 656082784 /nfs/dbraw/zinc/08/27/84/656082784.db2.gz KEALTXKDILSZOS-LBPRGKRZSA-N 1 0 391.335 1.868 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000867816873 656121014 /nfs/dbraw/zinc/12/10/14/656121014.db2.gz MEGMWICVRVCKAY-UHFFFAOYSA-N 1 0 387.933 1.749 20 0 GDADRO Cn1nc(I)cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000867943210 656135027 /nfs/dbraw/zinc/13/50/27/656135027.db2.gz OXJFEYKPKUAXBA-UHFFFAOYSA-N 1 0 388.253 1.771 20 0 GDADRO [NH3+][C@H](C(=O)N1CCC(Cn2cnnc2)CC1)c1cccc(Br)c1 ZINC000867982554 656136812 /nfs/dbraw/zinc/13/68/12/656136812.db2.gz SULDBKGUKAXODM-HNNXBMFYSA-N 1 0 378.274 1.979 20 0 GDADRO C[C@@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CC[NH2+]CC1 ZINC000868003447 656137305 /nfs/dbraw/zinc/13/73/05/656137305.db2.gz FSGPTTMUIJCNKV-LLVKDONJSA-N 1 0 393.285 1.663 20 0 GDADRO COC[C@H](NC(=O)c1cn(CCC[NH3+])nn1)c1cccc(Br)c1 ZINC000868024271 656137735 /nfs/dbraw/zinc/13/77/35/656137735.db2.gz KMCGIKYHDCHTGW-AWEZNQCLSA-N 1 0 382.262 1.507 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@](C)([NH3+])C2)cc1Br ZINC000868075976 656139624 /nfs/dbraw/zinc/13/96/24/656139624.db2.gz SIOJTEGLTGIIBE-AWEZNQCLSA-N 1 0 390.303 1.263 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[C@](C)([NH3+])C1 ZINC000868079772 656139879 /nfs/dbraw/zinc/13/98/79/656139879.db2.gz IGXGOYXDVHSEKW-AWEZNQCLSA-N 1 0 375.288 1.724 20 0 GDADRO O=C(Nc1ccc(Br)nc1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868135253 656141868 /nfs/dbraw/zinc/14/18/68/656141868.db2.gz WOXVTQZSWHYVLX-UTUOFQBUSA-N 1 0 396.245 1.243 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868246426 656146027 /nfs/dbraw/zinc/14/60/27/656146027.db2.gz RUJQDFNFYRTXRD-UHFFFAOYSA-N 1 0 393.079 1.876 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000868247685 656146260 /nfs/dbraw/zinc/14/62/60/656146260.db2.gz FRDUSWPCGKKTAD-WCFLWFBJSA-N 1 0 396.285 1.982 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000868268648 656147538 /nfs/dbraw/zinc/14/75/38/656147538.db2.gz LGBHDHFUQJWBFR-GFCCVEGCSA-N 1 0 383.290 1.985 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)c(Cl)cc1Br ZINC000868306277 656150216 /nfs/dbraw/zinc/15/02/16/656150216.db2.gz QNDJSMIAQMBSIJ-ZKCHVHJHSA-N 1 0 390.665 1.903 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000868306665 656150237 /nfs/dbraw/zinc/15/02/37/656150237.db2.gz YBQZGLLEYBJPBP-KYZUINATSA-N 1 0 388.237 1.779 20 0 GDADRO CS(=O)(=O)CCOCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000868309339 656150422 /nfs/dbraw/zinc/15/04/22/656150422.db2.gz USTIBZRVRZYNPL-MRXNPFEDSA-N 1 0 375.535 1.144 20 0 GDADRO CCOC(=O)CS[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C(F)(F)F ZINC000868365171 656152054 /nfs/dbraw/zinc/15/20/54/656152054.db2.gz CYJYADASGCVCOH-ZYHUDNBSSA-N 1 0 383.436 1.750 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CCC(C[NH3+])CC1)c1cccc(Br)c1 ZINC000868386816 656153260 /nfs/dbraw/zinc/15/32/60/656153260.db2.gz JIEHYSAOUDVTDU-HNNXBMFYSA-N 1 0 398.301 1.450 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)c1cccc(Br)c1 ZINC000868402323 656154367 /nfs/dbraw/zinc/15/43/67/656154367.db2.gz FLPOUTYPDURSCI-GDLCADMTSA-N 1 0 384.274 1.201 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868418433 656154819 /nfs/dbraw/zinc/15/48/19/656154819.db2.gz KKIIHUPXUSLLRU-LSDHHAIUSA-N 1 0 380.286 1.760 20 0 GDADRO O=C(NCc1ccc(Br)cn1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000868783188 656168934 /nfs/dbraw/zinc/16/89/34/656168934.db2.gz IYRZVYFLVJFXLF-HNNXBMFYSA-N 1 0 383.290 1.897 20 0 GDADRO CC(C)n1ncc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1Br ZINC000869299748 656190095 /nfs/dbraw/zinc/19/00/95/656190095.db2.gz WLKNKFYTTMICTI-CYBMUJFWSA-N 1 0 385.306 1.898 20 0 GDADRO Cn1nc(I)cc1C(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000870344500 656230454 /nfs/dbraw/zinc/23/04/54/656230454.db2.gz SUVLNZCLSBUJCH-VHSXEESVSA-N 1 0 375.210 1.808 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000870853940 656250499 /nfs/dbraw/zinc/25/04/99/656250499.db2.gz IYEHQZFSYXFGOR-DXCKQFNASA-N 1 0 383.901 1.300 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000870853471 656250557 /nfs/dbraw/zinc/25/05/57/656250557.db2.gz ILIFBBVYZFGVMA-FIXISWKDSA-N 1 0 389.930 1.362 20 0 GDADRO CC(=O)N[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)c1cccc(Br)c1 ZINC000870945197 656258085 /nfs/dbraw/zinc/25/80/85/656258085.db2.gz PEQYHFYTDNHLQU-NWDGAFQWSA-N 1 0 378.217 1.725 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870976426 656259500 /nfs/dbraw/zinc/25/95/00/656259500.db2.gz DHAQKQHMNHQBGS-YOWGUQMCSA-N 1 0 385.917 1.655 20 0 GDADRO Cn1ncc(I)c1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000871019553 656260308 /nfs/dbraw/zinc/26/03/08/656260308.db2.gz GQHYYAKFJBSBAF-UHFFFAOYSA-N 1 0 390.269 1.940 20 0 GDADRO C[C@@H](CC(=O)NCc1c(I)cnn1C)[C@H]1CCC[NH2+]C1 ZINC000871020327 656260472 /nfs/dbraw/zinc/26/04/72/656260472.db2.gz UDFRZQUWZUAUKR-QWRGUYRKSA-N 1 0 390.269 1.667 20 0 GDADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2N1 ZINC000871597917 656274363 /nfs/dbraw/zinc/27/43/63/656274363.db2.gz XTCBLISOOYMLDT-QGZVFWFLSA-N 1 0 383.901 1.989 20 0 GDADRO COc1ncc(S(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000871810137 656280926 /nfs/dbraw/zinc/28/09/26/656280926.db2.gz JDPYDHXAADFTLW-NSHDSACASA-N 1 0 375.878 1.181 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)s1 ZINC000871810116 656280935 /nfs/dbraw/zinc/28/09/35/656280935.db2.gz JENLCSOUCKFITC-OAHLLOKOSA-N 1 0 379.507 1.377 20 0 GDADRO COC(=O)c1ccccc1CS(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871812517 656281565 /nfs/dbraw/zinc/28/15/65/656281565.db2.gz AMCSWJKJUSJZPV-AAEUAGOBSA-N 1 0 380.388 1.372 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871813191 656281884 /nfs/dbraw/zinc/28/18/84/656281884.db2.gz OUXGDXRACSNVBK-IINYFYTJSA-N 1 0 375.288 1.688 20 0 GDADRO COC(=O)c1c(C)cccc1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871814040 656282511 /nfs/dbraw/zinc/28/25/11/656282511.db2.gz OIHNSJAJAYJSRR-QWRGUYRKSA-N 1 0 380.388 1.539 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@@H]1C(F)(F)F ZINC000871814134 656282638 /nfs/dbraw/zinc/28/26/38/656282638.db2.gz PLNCMZOYUBNSCJ-IUCAKERBSA-N 1 0 382.795 1.745 20 0 GDADRO CC(=O)Nc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1F ZINC000871814202 656282655 /nfs/dbraw/zinc/28/26/55/656282655.db2.gz QKXSIVDCNUCJCL-MWLCHTKSSA-N 1 0 383.367 1.542 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)c(Cl)cc21 ZINC000871818612 656283578 /nfs/dbraw/zinc/28/35/78/656283578.db2.gz LJHQPGQKTVCMSH-IRXDYDNUSA-N 1 0 383.901 1.812 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c1)C(F)(F)F ZINC000871819441 656283773 /nfs/dbraw/zinc/28/37/73/656283773.db2.gz SQTSXZQXEHRXIC-TZMCWYRMSA-N 1 0 377.388 1.750 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)ccc1Cl ZINC000871820853 656284068 /nfs/dbraw/zinc/28/40/68/656284068.db2.gz WYVJMSVXVMVZLZ-KBPBESRZSA-N 1 0 378.903 1.306 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872065052 656318369 /nfs/dbraw/zinc/31/83/69/656318369.db2.gz RQUVVYRXYFTAJV-TZMCWYRMSA-N 1 0 377.304 1.666 20 0 GDADRO C[C@H](CN(C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1nccs1 ZINC000872190074 656319544 /nfs/dbraw/zinc/31/95/44/656319544.db2.gz QWRNKMLTGBJCIY-VWYCJHECSA-N 1 0 378.420 1.301 20 0 GDADRO CCc1cnc(CN(C)C(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)s1 ZINC000872191371 656319617 /nfs/dbraw/zinc/31/96/17/656319617.db2.gz KJAOWDQPFAGHJD-KOLCDFICSA-N 1 0 378.420 1.260 20 0 GDADRO CC(C)(O)CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000872219411 656320299 /nfs/dbraw/zinc/32/02/99/656320299.db2.gz ZNKHISXHYAMUAT-GJZGRUSLSA-N 1 0 387.318 1.624 20 0 GDADRO O=C(CC[NH2+]C[C@@]12COC(=O)N1CCOC2)Nc1cccc(Br)c1 ZINC000872228273 656320436 /nfs/dbraw/zinc/32/04/36/656320436.db2.gz GSCMTFJDLZGWOI-MRXNPFEDSA-N 1 0 398.257 1.589 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000872242849 656321132 /nfs/dbraw/zinc/32/11/32/656321132.db2.gz PUYDEDIAQKVUPB-CYBMUJFWSA-N 1 0 375.185 1.987 20 0 GDADRO O=C(Cc1cc(Cl)cc(Cl)c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302621 656322451 /nfs/dbraw/zinc/32/24/51/656322451.db2.gz FZNQOMPVTSNRFM-KFWWJZLASA-N 1 0 384.263 1.929 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(Br)n2)C[C@@H]1[NH+](C)C ZINC000872466311 656335150 /nfs/dbraw/zinc/33/51/50/656335150.db2.gz YKFJEGDOMZHMKB-VHSXEESVSA-N 1 0 380.333 1.510 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000872624441 656367094 /nfs/dbraw/zinc/36/70/94/656367094.db2.gz ONWUWDOIDPZBOW-ZNMIVQPWSA-N 1 0 375.535 1.646 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1Br ZINC000872979699 656383359 /nfs/dbraw/zinc/38/33/59/656383359.db2.gz KSXCIPZFZIPLIC-ZBFHGGJFSA-N 1 0 394.313 1.926 20 0 GDADRO O[C@@H](CNCc1cccc(F)c1I)C[NH+]1CCCC1 ZINC000873019979 656384162 /nfs/dbraw/zinc/38/41/62/656384162.db2.gz AJTBWDATAPSSDL-LBPRGKRZSA-N 1 0 378.229 1.977 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2cc(Br)c(C)s2)CC1 ZINC000873048295 656384617 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GDADRO CCn1c(Br)ncc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000901162256 659198603 /nfs/dbraw/zinc/19/86/03/659198603.db2.gz LOIZXWCENRBINZ-OUCADQQQSA-N 1 0 385.306 1.989 20 0 GDADRO COC(=O)c1cc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)ccc1Br ZINC000901324128 659210521 /nfs/dbraw/zinc/21/05/21/659210521.db2.gz YNVNDZZEZWGSIC-GFCCVEGCSA-N 1 0 383.242 1.895 20 0 GDADRO CCO[C@@H](CN[C@H](C(N)=O)c1ccc(Br)cc1F)C[NH+](C)C ZINC000901591600 659222527 /nfs/dbraw/zinc/22/25/27/659222527.db2.gz ANAKNBXNFKQYLB-FZMZJTMJSA-N 1 0 376.270 1.671 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903172481 659298556 /nfs/dbraw/zinc/29/85/56/659298556.db2.gz ZDLRSMCJOKLBDD-KBPBESRZSA-N 1 0 375.535 1.836 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903175911 659298910 /nfs/dbraw/zinc/29/89/10/659298910.db2.gz XBUQHBGEGCQZQP-SNVBAGLBSA-N 1 0 388.433 1.522 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000903175935 659299082 /nfs/dbraw/zinc/29/90/82/659299082.db2.gz XOHWFZAIAUFPQA-CQSZACIVSA-N 1 0 377.551 1.893 20 0 GDADRO C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)C1CCS(=O)(=O)CC1 ZINC000903189269 659300029 /nfs/dbraw/zinc/30/00/29/659300029.db2.gz UNJIJZGMIGIPJO-ZDUSSCGKSA-N 1 0 380.576 1.430 20 0 GDADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000903267205 659311735 /nfs/dbraw/zinc/31/17/35/659311735.db2.gz BNVOOBWPPTZNLP-TUVASFSCSA-N 1 0 376.519 1.566 20 0 GDADRO C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903281652 659312200 /nfs/dbraw/zinc/31/22/00/659312200.db2.gz QBXNXKCSUTWIDL-BLLLJJGKSA-N 1 0 378.441 1.027 20 0 GDADRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000903325741 659313743 /nfs/dbraw/zinc/31/37/43/659313743.db2.gz MQUQQEJJSLUFLI-CYBMUJFWSA-N 1 0 382.258 1.983 20 0 GDADRO CC(C)[C@](C)(C[NH3+])NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903493108 659317834 /nfs/dbraw/zinc/31/78/34/659317834.db2.gz NWNDPZXXYFOJSK-AWEZNQCLSA-N 1 0 393.303 1.971 20 0 GDADRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccc(I)s1 ZINC000903498682 659319065 /nfs/dbraw/zinc/31/90/65/659319065.db2.gz CJZOKYCCYHKZLY-UHFFFAOYSA-N 1 0 386.280 1.855 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)NC[C@@H]1CCC[NH2+]1 ZINC000903512691 659322038 /nfs/dbraw/zinc/32/20/38/659322038.db2.gz DIRGVJGRDOGYBU-JTQLQIEISA-N 1 0 377.260 1.349 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903512675 659322045 /nfs/dbraw/zinc/32/20/45/659322045.db2.gz CTZHSBOBOBGOHT-JTQLQIEISA-N 1 0 391.287 1.549 20 0 GDADRO [NH3+][C@@H]1CN(CC(=O)N2CCN(Cc3ccsc3)CC2)C[C@H]1C(F)(F)F ZINC000903514850 659323780 /nfs/dbraw/zinc/32/37/80/659323780.db2.gz WVPIJQJBGPVQDO-ZIAGYGMSSA-N 1 0 376.448 1.214 20 0 GDADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1c[nH]c2ncc(Cl)cc12 ZINC000903516309 659324251 /nfs/dbraw/zinc/32/42/51/659324251.db2.gz ZNALVDHVQKZJRA-GFCCVEGCSA-N 1 0 384.889 1.653 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c1F ZINC000903522086 659328103 /nfs/dbraw/zinc/32/81/03/659328103.db2.gz KMDAKMMIVBNAOH-VIFPVBQESA-N 1 0 397.266 1.335 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2Br)CCCO1 ZINC000903523225 659328585 /nfs/dbraw/zinc/32/85/85/659328585.db2.gz YNYIJRBXXKHABF-LLVKDONJSA-N 1 0 381.267 1.468 20 0 GDADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903525028 659329573 /nfs/dbraw/zinc/32/95/73/659329573.db2.gz KPDPOCRIZMMEIS-GFCCVEGCSA-N 1 0 393.303 1.971 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1C(F)(F)F ZINC000903534411 659331995 /nfs/dbraw/zinc/33/19/95/659331995.db2.gz LXFPBHBYUBQUEE-ZJUUUORDSA-N 1 0 380.388 1.626 20 0 GDADRO Cc1cc(Br)cc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c1 ZINC000903538582 659333268 /nfs/dbraw/zinc/33/32/68/659333268.db2.gz WXIFLWYHSSVASA-UHFFFAOYSA-N 1 0 377.304 1.886 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)cc1 ZINC000903547660 659336746 /nfs/dbraw/zinc/33/67/46/659336746.db2.gz TUUVBDYNLDEYFQ-MRXNPFEDSA-N 1 0 386.539 1.762 20 0 GDADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000903547864 659337143 /nfs/dbraw/zinc/33/71/43/659337143.db2.gz VQYLGSHQFPAUBW-UHFFFAOYSA-N 1 0 380.297 1.922 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903550170 659337902 /nfs/dbraw/zinc/33/79/02/659337902.db2.gz CBVPUVDQEDMBTD-GFCCVEGCSA-N 1 0 381.267 1.873 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000903553676 659338881 /nfs/dbraw/zinc/33/88/81/659338881.db2.gz ASSRBLHJNZGPSW-ZDUSSCGKSA-N 1 0 391.287 1.497 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c1F ZINC000903557449 659340277 /nfs/dbraw/zinc/34/02/77/659340277.db2.gz BROFTYBXRUSVDU-NXEZZACHSA-N 1 0 378.853 1.871 20 0 GDADRO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000903560327 659340638 /nfs/dbraw/zinc/34/06/38/659340638.db2.gz ADGJAVYGWHDDOZ-FAAHXZRKSA-N 1 0 386.901 1.927 20 0 GDADRO O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)NCCCCCC1CC[NH2+]CC1 ZINC000903560837 659341221 /nfs/dbraw/zinc/34/12/21/659341221.db2.gz BAGVMLNSGAQFOB-MRXNPFEDSA-N 1 0 380.576 1.291 20 0 GDADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562572 659341519 /nfs/dbraw/zinc/34/15/19/659341519.db2.gz OXBVSXRKMOGPDV-OWWKKJFISA-N 1 0 392.591 1.028 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(OC)cc1Br ZINC000903563637 659342100 /nfs/dbraw/zinc/34/21/00/659342100.db2.gz DFAPPYAHXLHWMF-DVVUODLYSA-N 1 0 391.287 1.638 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(Br)c1 ZINC000903563794 659342140 /nfs/dbraw/zinc/34/21/40/659342140.db2.gz HSDWTLNWLISVGE-ADEWGFFLSA-N 1 0 389.271 1.407 20 0 GDADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903570304 659344267 /nfs/dbraw/zinc/34/42/67/659344267.db2.gz ALNGOANLZCDFNR-SXQWRXASSA-N 1 0 378.372 1.383 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)c1 ZINC000903570816 659344810 /nfs/dbraw/zinc/34/48/10/659344810.db2.gz DHKIZTXZKGIDQE-OTCDBFHCSA-N 1 0 391.287 1.641 20 0 GDADRO COC(=O)c1ccccc1CS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903578038 659348802 /nfs/dbraw/zinc/34/88/02/659348802.db2.gz AVVDUHIFVLLKSJ-CHWSQXEVSA-N 1 0 380.388 1.515 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1C ZINC000903578260 659349257 /nfs/dbraw/zinc/34/92/57/659349257.db2.gz DSXDMLJRPGPUCL-QWHCGFSZSA-N 1 0 380.388 1.682 20 0 GDADRO COCc1ccc(OC)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903578459 659349429 /nfs/dbraw/zinc/34/94/29/659349429.db2.gz HYXLZORGLSPUPB-NEPJUHHUSA-N 1 0 382.404 1.742 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2nc[nH]c2Br)CC[C@@H]1C(F)(F)F ZINC000903581251 659351765 /nfs/dbraw/zinc/35/17/65/659351765.db2.gz CTEWPGCZNXCFLR-NTSWFWBYSA-N 1 0 377.186 1.072 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000903588791 659355418 /nfs/dbraw/zinc/35/54/18/659355418.db2.gz KHYNRXNFOAGHKO-DOMZBBRYSA-N 1 0 392.930 1.387 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903589037 659355560 /nfs/dbraw/zinc/35/55/60/659355560.db2.gz MLRCTVSXDJQKDY-HZMBPMFUSA-N 1 0 375.288 1.960 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000903590138 659355927 /nfs/dbraw/zinc/35/59/27/659355927.db2.gz PNDHFQJMDPEWHL-UHFFFAOYSA-N 1 0 383.264 1.447 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000903590002 659355995 /nfs/dbraw/zinc/35/59/95/659355995.db2.gz SKDGBNYJLYXSPT-ZWNOBZJWSA-N 1 0 398.428 1.482 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])c(Br)c1 ZINC000903589578 659356047 /nfs/dbraw/zinc/35/60/47/659356047.db2.gz PNJGZWLZAYHQIS-YGRLFVJLSA-N 1 0 375.288 1.960 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000903590148 659356316 /nfs/dbraw/zinc/35/63/16/659356316.db2.gz QDNQFWSOLIUNTI-UHFFFAOYSA-N 1 0 391.921 1.669 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cc1Cl ZINC000903593704 659357485 /nfs/dbraw/zinc/35/74/85/659357485.db2.gz SUGSYWAWPCSGCF-HNNXBMFYSA-N 1 0 375.853 1.954 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c(Cl)s1 ZINC000903593745 659357506 /nfs/dbraw/zinc/35/75/06/659357506.db2.gz UQMHFTDEOAUUBU-GFCCVEGCSA-N 1 0 384.932 1.322 20 0 GDADRO CC[NH+](CC)CCOc1ccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc1 ZINC000903605474 659361289 /nfs/dbraw/zinc/36/12/89/659361289.db2.gz NTTCFCQSJRNBMJ-XMMPIXPASA-N 1 0 392.547 1.638 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000903609807 659361667 /nfs/dbraw/zinc/36/16/67/659361667.db2.gz QRNGEULXHKNCNF-ZBEGNZNMSA-N 1 0 387.889 1.727 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c(Br)o1 ZINC000903610655 659362260 /nfs/dbraw/zinc/36/22/60/659362260.db2.gz AOPKQJAJFUQVOZ-SDBXPKJASA-N 1 0 393.259 1.249 20 0 GDADRO C[C@H](CN(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)c1nccs1 ZINC000903750694 659378796 /nfs/dbraw/zinc/37/87/96/659378796.db2.gz QTLBMUFKQNJWRE-OUAUKWLOSA-N 1 0 378.420 1.443 20 0 GDADRO CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903755417 659379091 /nfs/dbraw/zinc/37/90/91/659379091.db2.gz GYMYADAQTNIQOI-UXLLHSPISA-N 1 0 382.302 1.676 20 0 GDADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000903775832 659380111 /nfs/dbraw/zinc/38/01/11/659380111.db2.gz HCBIKAVFJAHKCX-ABAIWWIYSA-N 1 0 381.464 1.716 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903791669 659380778 /nfs/dbraw/zinc/38/07/78/659380778.db2.gz JDJGIOYIDNQSPH-ZYHUDNBSSA-N 1 0 398.276 1.669 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C[C@@H](C)[NH2+]1 ZINC000903798367 659381058 /nfs/dbraw/zinc/38/10/58/659381058.db2.gz BGEBZGXTZWFILJ-LALPHHSUSA-N 1 0 395.301 1.716 20 0 GDADRO O=C(C(=O)N1CCS[C@H](C(F)(F)F)C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903798569 659381216 /nfs/dbraw/zinc/38/12/16/659381216.db2.gz VCOJDQVLVGRCDY-UPJWGTAASA-N 1 0 379.448 1.341 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000903801362 659381521 /nfs/dbraw/zinc/38/15/21/659381521.db2.gz NQBDMCUSHSOUAY-OAHLLOKOSA-N 1 0 395.301 1.705 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903803126 659382131 /nfs/dbraw/zinc/38/21/31/659382131.db2.gz ZKSJSNSAJNFNQU-PBHICJAKSA-N 1 0 395.301 1.705 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1cc(Cl)ccc1Br ZINC000903967976 659390500 /nfs/dbraw/zinc/39/05/00/659390500.db2.gz ICCUWRWUWYOYFP-LBPRGKRZSA-N 1 0 381.723 1.969 20 0 GDADRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903970032 659391239 /nfs/dbraw/zinc/39/12/39/659391239.db2.gz PCHBYGIFYBSWLV-UKRRQHHQSA-N 1 0 387.933 1.732 20 0 GDADRO COc1c(Br)cccc1C[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903970053 659391299 /nfs/dbraw/zinc/39/12/99/659391299.db2.gz PSNWHMFTBUWKIW-LBPRGKRZSA-N 1 0 377.304 1.324 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000903970541 659391476 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O=C(CN1CCC[NH2+]CC1)NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000905061433 659419854 /nfs/dbraw/zinc/41/98/54/659419854.db2.gz HXLFIUIMEXBRJO-UHFFFAOYSA-N 1 0 383.283 1.486 20 0 GDADRO O[C@H](C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)C[C@]1(O)CCOC1 ZINC000905068310 659420293 /nfs/dbraw/zinc/42/02/93/659420293.db2.gz NIJOUVSFKZQMOD-FHLIZLRMSA-N 1 0 399.329 1.767 20 0 GDADRO O=C(NCC[NH2+]C[C@H](O)CC1(O)CCCC1)c1cccc(Br)c1 ZINC000905084014 659421418 /nfs/dbraw/zinc/42/14/18/659421418.db2.gz YRXAIOQZSNWISO-OAHLLOKOSA-N 1 0 385.302 1.825 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)cc1OC ZINC000905088674 659421829 /nfs/dbraw/zinc/42/18/29/659421829.db2.gz JLYIPHMDRHFZRJ-MLGOLLRUSA-N 1 0 390.274 1.458 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@H](O)CC2(CO)CCCC2)CC1)C(F)(F)F ZINC000905161851 659428046 /nfs/dbraw/zinc/42/80/46/659428046.db2.gz SZMSUXYZAAPLAY-CYBMUJFWSA-N 1 0 388.452 1.194 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccc(Cl)s1 ZINC000905179024 659430174 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O=c1cc(N2CC[C@H]([NH2+]C[C@H](O)c3ccccc3Br)C2)nc[nH]1 ZINC000905697544 659476562 /nfs/dbraw/zinc/47/65/62/659476562.db2.gz UUDHHQZRHHLYIB-FZMZJTMJSA-N 1 0 379.258 1.847 20 0 GDADRO O=c1ccn(CCC[NH2+]C[C@H](O)COc2ccc(Br)cc2)c(=O)[nH]1 ZINC000905701944 659477537 /nfs/dbraw/zinc/47/75/37/659477537.db2.gz MNYIZSZKUDTBFA-ZDUSSCGKSA-N 1 0 398.257 1.131 20 0 GDADRO O=C(NCc1cn(Cc2cccc(F)c2Br)nn1)C1CC[NH2+]CC1 ZINC000905832782 659486710 /nfs/dbraw/zinc/48/67/10/659486710.db2.gz IUEJKJPEVGARHF-UHFFFAOYSA-N 1 0 396.264 1.844 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000906061142 659515386 /nfs/dbraw/zinc/51/53/86/659515386.db2.gz FIXLTUIWQBHVQN-DEOSSOPVSA-N 1 0 388.559 1.991 20 0 GDADRO Cn1cc(C(=O)NCC[N@H+](C)Cc2ccccc2)c(I)n1 ZINC000906384547 659536605 /nfs/dbraw/zinc/53/66/05/659536605.db2.gz KIUKEQWLHJYSJN-UHFFFAOYSA-N 1 0 398.248 1.887 20 0 GDADRO COCC[N@@H+]1CCCN(C(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906409393 659537815 /nfs/dbraw/zinc/53/78/15/659537815.db2.gz CAFVRKVRRVBWSI-UHFFFAOYSA-N 1 0 381.274 1.891 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cccn3ncc(Br)c23)C1 ZINC000906597206 659559107 /nfs/dbraw/zinc/55/91/07/659559107.db2.gz KFLMTZRIAXCZQN-LBPRGKRZSA-N 1 0 381.274 1.937 20 0 GDADRO O=C(c1cccn2ncc(Br)c12)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000906601701 659559766 /nfs/dbraw/zinc/55/97/66/659559766.db2.gz JIGRZDPZTJHNPH-CABCVRRESA-N 1 0 393.285 1.768 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2nscc2I)C1 ZINC000906597810 659559785 /nfs/dbraw/zinc/55/97/85/659559785.db2.gz OWZKTMBXSXTNHX-SECBINFHSA-N 1 0 395.266 1.588 20 0 GDADRO CC(C)n1cc(Br)c(C(=O)N(C)CCCN2CC[NH+](C)CC2)n1 ZINC000906640789 659563785 /nfs/dbraw/zinc/56/37/85/659563785.db2.gz VBVCOVXEGQXFGD-UHFFFAOYSA-N 1 0 386.338 1.936 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)COc2ccc(Br)c(C)c2)CC1 ZINC000906673806 659568562 /nfs/dbraw/zinc/56/85/62/659568562.db2.gz XDNCQXDSOZMTHO-UHFFFAOYSA-N 1 0 384.318 1.890 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000906706359 659573945 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O=C(C[C@H](O)C(Cl)(Cl)Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000907046865 659652555 /nfs/dbraw/zinc/65/25/55/659652555.db2.gz LJDOTMMDYDMSAO-AGIUHOORSA-N 1 0 387.735 1.992 20 0 GDADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1cnn(CC(F)F)c1 ZINC000907329549 659728265 /nfs/dbraw/zinc/72/82/65/659728265.db2.gz XGJPKMVRSXMHTA-UHFFFAOYSA-N 1 0 378.445 1.070 20 0 GDADRO CN(CCO)CCNS(=O)(=O)c1c[nH]c2c1cccc2Br ZINC000907402159 659746880 /nfs/dbraw/zinc/74/68/80/659746880.db2.gz LUJSPNYKMORACP-UHFFFAOYSA-N 1 0 376.276 1.133 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000907737401 659819065 /nfs/dbraw/zinc/81/90/65/659819065.db2.gz LHCWGIPTVXXNPT-SUYBPPKGSA-N 1 0 385.302 1.171 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 ZINC000907737927 659819222 /nfs/dbraw/zinc/81/92/22/659819222.db2.gz MZXIKSZXFINXCT-OAHLLOKOSA-N 1 0 398.345 1.210 20 0 GDADRO CC[C@H](C(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1)[NH+](C)C ZINC000907827461 659835720 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YDRHIRDZPBJSRK-VQTJNVASSA-N 1 0 393.491 1.849 20 0 GDADRO CC(C)c1nc(N(C)C)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164863335 721106249 /nfs/dbraw/zinc/10/62/49/721106249.db2.gz BWJGFGWDBXDQLF-ZWKOTPCHSA-N 1 0 397.527 1.936 20 0 GDADRO Cc1cn(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cn1 ZINC001164867616 721116980 /nfs/dbraw/zinc/11/69/80/721116980.db2.gz YPVAAMKRLVZIKB-RBUKOAKNSA-N 1 0 391.479 1.845 20 0 GDADRO C[C@@H]1CC(=O)Nc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c21 ZINC001164771420 721139901 /nfs/dbraw/zinc/13/99/01/721139901.db2.gz SQMQFTKFOSPLKS-VNQPRFMTSA-N 1 0 381.484 1.614 20 0 GDADRO CC(C)c1nc(N(C)C)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164773980 721156460 /nfs/dbraw/zinc/15/64/60/721156460.db2.gz ZPLIJRXTICGOEA-SJORKVTESA-N 1 0 384.532 1.753 20 0 GDADRO CON(C)C(=O)c1cc(C)cnc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164770122 721176395 /nfs/dbraw/zinc/17/63/95/721176395.db2.gz NGMBVSPOWVXVHJ-ROUUACIJSA-N 1 0 398.511 1.715 20 0 GDADRO Cc1ccc(N2CCO[C@@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)C[C@@H]32)nn1 ZINC001164778899 721312925 /nfs/dbraw/zinc/31/29/25/721312925.db2.gz ZIHBTVZFTVBRPM-RBUKOAKNSA-N 1 0 380.496 1.868 20 0 GDADRO COc1cc(OC)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889231 721394522 /nfs/dbraw/zinc/39/45/22/721394522.db2.gz LCGFYQQKSDWIEK-OXQOHEQNSA-N 1 0 391.516 1.259 20 0 GDADRO COc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(OC)n1 ZINC001164885601 721396784 /nfs/dbraw/zinc/39/67/84/721396784.db2.gz CUZFPQKSTZBKDA-OXQOHEQNSA-N 1 0 391.516 1.259 20 0 GDADRO Cc1ccnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C(N)=O ZINC001164891326 721405855 /nfs/dbraw/zinc/40/58/55/721405855.db2.gz VKBTXKHEIRYMET-UTKZUKDTSA-N 1 0 387.528 1.254 20 0 GDADRO Cc1noc2ncnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164889596 721442612 /nfs/dbraw/zinc/44/26/12/721442612.db2.gz CDLLYVNBRUNCPB-UZLBHIALSA-N 1 0 386.500 1.692 20 0 GDADRO Cc1cc(C(N)=O)cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893210 721448311 /nfs/dbraw/zinc/44/83/11/721448311.db2.gz YWEIWSAQGKXAES-RXVVDRJESA-N 1 0 387.528 1.254 20 0 GDADRO Cc1cccc2ncnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c12 ZINC001164799145 721514727 /nfs/dbraw/zinc/51/47/27/721514727.db2.gz XKRKHAYPOCRPOB-UHFFFAOYSA-N 1 0 377.496 1.902 20 0 GDADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cncc(-n5cncn5)n4)CC[N@@H+]3C2)c1 ZINC001164909799 721557634 /nfs/dbraw/zinc/55/76/34/721557634.db2.gz UXXHZMDYKZWTCH-DOTOQJQBSA-N 1 0 381.415 1.538 20 0 GDADRO O=C([C@@H]1C[C@@H]2[C@@H](CCN2c2ncccc2C[NH+]2CCCC2)O1)N1CCOCC1 ZINC001164796909 721596769 /nfs/dbraw/zinc/59/67/69/721596769.db2.gz DPHPHPINUXQFER-QRVBRYPASA-N 1 0 386.496 1.272 20 0 GDADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(-c2cc3c([nH]2)CCNC3=O)ccn1 ZINC001164927274 721861483 /nfs/dbraw/zinc/86/14/83/721861483.db2.gz KHRWTHBGUNNAPO-VQTJNVASSA-N 1 0 394.523 1.577 20 0 GDADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164922426 721864479 /nfs/dbraw/zinc/86/44/79/721864479.db2.gz GVBRAHNEAWOQJC-LSDHHAIUSA-N 1 0 381.908 1.450 20 0 GDADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncccc1S(=O)(=O)N1CCCC1 ZINC001164926715 721872253 /nfs/dbraw/zinc/87/22/53/721872253.db2.gz SHLANUDXVKAJNO-DLBZAZTESA-N 1 0 393.557 1.081 20 0 GDADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)COc1ccc(Cl)nn1 ZINC001164936368 721878819 /nfs/dbraw/zinc/87/88/19/721878819.db2.gz ZVHZIBQVNKZMBV-OLZOCXBDSA-N 1 0 375.851 1.812 20 0 GDADRO CCOC(=O)N1CCc2nnc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)cc2C1 ZINC001164936273 721880518 /nfs/dbraw/zinc/88/05/18/721880518.db2.gz ZBAGRJCLSNXWCH-MSOLQXFVSA-N 1 0 388.516 1.206 20 0 GDADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164934749 721890132 /nfs/dbraw/zinc/89/01/32/721890132.db2.gz STWXNUGARIZVCP-CABCVRRESA-N 1 0 380.924 1.484 20 0 GDADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N(C)CC1CC[NH+](C)CC1 ZINC001165041324 721935162 /nfs/dbraw/zinc/93/51/62/721935162.db2.gz QIKQJQKGCUFBQA-UHFFFAOYSA-N 1 0 380.880 1.821 20 0 GDADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@H]21 ZINC001164943627 721952247 /nfs/dbraw/zinc/95/22/47/721952247.db2.gz ILYBIIQNCSLCQW-WOJBJXKFSA-N 1 0 398.511 1.186 20 0 GDADRO COC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cn1 ZINC001164975449 722100141 /nfs/dbraw/zinc/10/01/41/722100141.db2.gz BQIINXOZYVDJDB-AEFFLSMTSA-N 1 0 383.452 1.386 20 0 GDADRO C[NH+](C)Cc1ccnc(N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)c1 ZINC001165001755 722247110 /nfs/dbraw/zinc/24/71/10/722247110.db2.gz UMUWZUBJCGMLIB-HXUWFJFHSA-N 1 0 384.484 1.045 20 0 GDADRO CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705107 944873892 /nfs/dbraw/zinc/87/38/92/944873892.db2.gz FMCJVMMANCAIKK-IRXDYDNUSA-N 1 0 397.483 1.702 20 0 GDADRO O=C(c1cc(C2CC2)on1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571261845 945432056 /nfs/dbraw/zinc/43/20/56/945432056.db2.gz KEBVGHPGWLROLL-LLVKDONJSA-N 1 0 385.453 1.798 20 0 GDADRO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cc(-c4nn[nH]n4)ccn3)C2)s1 ZINC001571262360 945437605 /nfs/dbraw/zinc/43/76/05/945437605.db2.gz PYHDWFVGWIIZHW-LBPRGKRZSA-N 1 0 385.453 1.884 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CN(C(=O)C(C)(C)C2CC2)CCO1 ZINC001571263624 945463300 /nfs/dbraw/zinc/46/33/00/945463300.db2.gz VHWAPVBQMONKTI-BLLLJJGKSA-N 1 0 385.472 1.148 20 0 GDADRO CC1([NH2+]C[C@@H]2C[C@@]23CCOC3)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571264077 945473596 /nfs/dbraw/zinc/47/35/96/945473596.db2.gz FMWIWRGLODQDGN-ORAYPTAESA-N 1 0 385.472 1.206 20 0 GDADRO C[C@@H]1CC[C@@H](C[N@@H+]2CCCC3(CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C3)C2)O1 ZINC001571264323 945482111 /nfs/dbraw/zinc/48/21/11/945482111.db2.gz LFPCDTAIBFLEBO-HIFRSBDPSA-N 1 0 385.472 1.300 20 0 GDADRO Cc1cc(N(C)C[C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264818 945492913 /nfs/dbraw/zinc/49/29/13/945492913.db2.gz XVMGXXTZOKGNSW-WMLDXEAASA-N 1 0 385.472 1.424 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571264825 945493716 /nfs/dbraw/zinc/49/37/16/945493716.db2.gz YAACJFZDRUEBAH-VBQJREDUSA-N 1 0 385.472 1.422 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC2(C1)CCC[N@H+](C[C@H]1CCCCO1)C2 ZINC001571265052 945499083 /nfs/dbraw/zinc/49/90/83/945499083.db2.gz BHWDEMGMZSJCTD-OAHLLOKOSA-N 1 0 385.472 1.302 20 0 GDADRO Cc1cc(NC[C@H]2CN(C(=O)C3(C)CCCC3)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571265426 945509128 /nfs/dbraw/zinc/50/91/28/945509128.db2.gz GNCJZEHNANRNAD-AWEZNQCLSA-N 1 0 385.472 1.212 20 0 GDADRO CC1(C)C[N@H+](CCc2cccs2)C[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571265875 945523009 /nfs/dbraw/zinc/52/30/09/945523009.db2.gz RCDMYWJLHWAVMI-HNNXBMFYSA-N 1 0 385.497 1.939 20 0 GDADRO Cc1cc(NC[C@@H]2CCCCN2C(=O)C[C@H]2CCCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266572 945546978 /nfs/dbraw/zinc/54/69/78/945546978.db2.gz UIRAWFFRAPYWTE-LSDHHAIUSA-N 1 0 385.472 1.354 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@H]1C[C@@]12CCOC2 ZINC001571269093 945612582 /nfs/dbraw/zinc/61/25/82/945612582.db2.gz OOPBNGPOUTWALQ-DZDCQFRTSA-N 1 0 386.431 1.169 20 0 GDADRO CN(C(=O)C1=CCOCC1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571269468 945621079 /nfs/dbraw/zinc/62/10/79/945621079.db2.gz ZGNZJUJUZVFTNG-UHFFFAOYSA-N 1 0 386.431 1.432 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001571271710 945647957 /nfs/dbraw/zinc/64/79/57/945647957.db2.gz HYWLRUWAOKGZIJ-ZBFHGGJFSA-N 1 0 386.504 1.559 20 0 GDADRO Cc1ncc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H](C)C2)s1 ZINC001571271846 945651830 /nfs/dbraw/zinc/65/18/30/945651830.db2.gz KXIPZMRJJNURGR-MFKMUULPSA-N 1 0 386.485 1.743 20 0 GDADRO CC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1[NH2+]Cc1ccns1 ZINC001571272608 945667341 /nfs/dbraw/zinc/66/73/41/945667341.db2.gz XLBIITDRVOEALL-FZMZJTMJSA-N 1 0 386.485 1.682 20 0 GDADRO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)sn1 ZINC001571272782 945671876 /nfs/dbraw/zinc/67/18/76/945671876.db2.gz ZWENCFSZVCMORD-VXGBXAGGSA-N 1 0 386.485 1.600 20 0 GDADRO CCc1ccc([C@@H](CNC(=O)Nc2nn(C)cc2-c2nn[nH]n2)[NH+](C)C)cc1 ZINC000821482522 945707479 /nfs/dbraw/zinc/70/74/79/945707479.db2.gz SKCQYBUAISUAPW-OAHLLOKOSA-N 1 0 383.460 1.587 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC001571275536 945709242 /nfs/dbraw/zinc/70/92/42/945709242.db2.gz VZTOAQKESDXVGT-ZDUSSCGKSA-N 1 0 386.847 1.638 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCO3)C2)cc1-c1nn[nH]n1 ZINC001571275767 945714439 /nfs/dbraw/zinc/71/44/39/945714439.db2.gz CBEDUQBCSLNAAZ-WMLDXEAASA-N 1 0 386.456 1.135 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC001571278039 945747309 /nfs/dbraw/zinc/74/73/09/945747309.db2.gz UYVJSTPMOZKOEY-UHFFFAOYSA-N 1 0 387.394 1.867 20 0 GDADRO COC(=O)c1ccc(OCC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821669341 945790678 /nfs/dbraw/zinc/79/06/78/945790678.db2.gz HFJRDBIKKKSSPL-QGZVFWFLSA-N 1 0 383.408 1.355 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC[C@@H]1NC(=O)c1ccon1 ZINC001571280949 945795681 /nfs/dbraw/zinc/79/56/81/945795681.db2.gz AFEUMDBJCHGCTC-AWEZNQCLSA-N 1 0 387.469 1.947 20 0 GDADRO Cc1noc(C)c1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281148 945797781 /nfs/dbraw/zinc/79/77/81/945797781.db2.gz DDEKBRXYDWLTML-GFCCVEGCSA-N 1 0 387.469 1.785 20 0 GDADRO Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)s1 ZINC001571281416 945803788 /nfs/dbraw/zinc/80/37/88/945803788.db2.gz IGJDLUMTBOYEGQ-VIFPVBQESA-N 1 0 387.473 1.310 20 0 GDADRO Cc1ncoc1C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571281816 945816743 /nfs/dbraw/zinc/81/67/43/945816743.db2.gz OLUWACAXDIRDIC-DGCLKSJQSA-N 1 0 387.469 1.913 20 0 GDADRO Cc1cc(C(=O)N2C[C@H](C)[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)on1 ZINC001571281993 945822252 /nfs/dbraw/zinc/82/22/52/945822252.db2.gz QVAIEJSXXWPWRZ-CMPLNLGQSA-N 1 0 387.469 1.723 20 0 GDADRO Cc1nc(C)c(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)o1 ZINC001571282001 945822654 /nfs/dbraw/zinc/82/26/54/945822654.db2.gz QXXMVMDSHKRWMZ-UHFFFAOYSA-N 1 0 387.469 1.927 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)o1 ZINC001571282110 945828029 /nfs/dbraw/zinc/82/80/29/945828029.db2.gz SWLJNMDKMLBXTJ-VIFPVBQESA-N 1 0 387.469 1.783 20 0 GDADRO CCc1nc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)co1 ZINC001571282433 945841180 /nfs/dbraw/zinc/84/11/80/945841180.db2.gz YIKOIDPZGVDZKA-NSHDSACASA-N 1 0 387.469 1.873 20 0 GDADRO CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573452228 945845186 /nfs/dbraw/zinc/84/51/86/945845186.db2.gz BZLQJEDZBDIACD-BFUOFWGJSA-N 1 0 387.488 1.012 20 0 GDADRO O=C(c1cncs1)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571282758 945861028 /nfs/dbraw/zinc/86/10/28/945861028.db2.gz PZDTZQWZGWXGEB-GFCCVEGCSA-N 1 0 387.444 1.714 20 0 GDADRO CO[C@H](C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)C1CCCC1 ZINC001571283164 945879455 /nfs/dbraw/zinc/87/94/55/945879455.db2.gz AMMVHDPIYHVJON-RHSMWYFYSA-N 1 0 387.488 1.594 20 0 GDADRO CC[C@H](OC)C(=O)N1CCCCC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571284094 945892100 /nfs/dbraw/zinc/89/21/00/945892100.db2.gz LOBOSWIIPKIYIK-PBHICJAKSA-N 1 0 387.488 1.600 20 0 GDADRO CC(=O)N[C@](C)(C(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573456760 945896622 /nfs/dbraw/zinc/89/66/22/945896622.db2.gz OIJRJQLRIBRCQX-DJJJIMSYSA-N 1 0 387.488 1.012 20 0 GDADRO CCOC1CC(C[N@@H+]2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C(C)(C)C2)C1 ZINC001571284447 945902673 /nfs/dbraw/zinc/90/26/73/945902673.db2.gz QRAKMKSBKYRIPX-PXCJXSSVSA-N 1 0 387.488 1.450 20 0 GDADRO C[N@H+](CC[C@@H]1CCCCO1)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571285054 945908261 /nfs/dbraw/zinc/90/82/61/945908261.db2.gz XRTZWTLWTOZFHF-HNNXBMFYSA-N 1 0 387.488 1.690 20 0 GDADRO CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573458928 945909423 /nfs/dbraw/zinc/90/94/23/945909423.db2.gz AYMVVVHXMHVBJM-STQMWFEESA-N 1 0 387.488 1.154 20 0 GDADRO CC[C@@H]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)O1 ZINC001571287394 945970769 /nfs/dbraw/zinc/97/07/69/945970769.db2.gz CRHJWBLXNTXMKS-WBOJAVRRSA-N 1 0 388.447 1.700 20 0 GDADRO C[C@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287432 945973134 /nfs/dbraw/zinc/97/31/34/945973134.db2.gz DJLQWDRUMWASGL-RZFFKMDDSA-N 1 0 388.447 1.415 20 0 GDADRO CO[C@@H](C)C(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(F)c(-c3nn[nH]n3)c1)C2 ZINC001571287475 945973623 /nfs/dbraw/zinc/97/36/23/945973623.db2.gz FDRPIMCLVBBLLJ-ZDUSSCGKSA-N 1 0 388.447 1.465 20 0 GDADRO CO[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571288048 945982603 /nfs/dbraw/zinc/98/26/03/945982603.db2.gz LSTJMMPXWCVTPO-YOEHRIQHSA-N 1 0 388.447 1.511 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)N(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573467927 945986982 /nfs/dbraw/zinc/98/69/82/945986982.db2.gz JHOOLKOPZREGMQ-AWEZNQCLSA-N 1 0 387.488 1.060 20 0 GDADRO CN(C(=O)[C@@H]1CCOC1)C1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288548 945987776 /nfs/dbraw/zinc/98/77/76/945987776.db2.gz QGDGQGXUAJHGHG-CQSZACIVSA-N 1 0 388.447 1.465 20 0 GDADRO Cc1cc(F)ccc1[C@H](O)C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000822205793 945990253 /nfs/dbraw/zinc/99/02/53/945990253.db2.gz INDSZNFBHOVAPX-QGZVFWFLSA-N 1 0 383.431 1.565 20 0 GDADRO O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001571290133 946028270 /nfs/dbraw/zinc/02/82/70/946028270.db2.gz VUOGYGWIBASZAR-WFASDCNBSA-N 1 0 388.451 1.193 20 0 GDADRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@@H]([C@@H]2CCCO2)C1 ZINC001571293828 946118349 /nfs/dbraw/zinc/11/83/49/946118349.db2.gz SSJYUIDOAZRGGV-XYPHTWIQSA-N 1 0 389.431 1.938 20 0 GDADRO O=C(C1=COCCO1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571297905 946201900 /nfs/dbraw/zinc/20/19/00/946201900.db2.gz CQHHEWWOBZDOKV-LBPRGKRZSA-N 1 0 390.469 1.145 20 0 GDADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)c2)CC1 ZINC000822864501 946204016 /nfs/dbraw/zinc/20/40/16/946204016.db2.gz BSYDZBMVTRJDMH-UHFFFAOYSA-N 1 0 394.439 1.144 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C1 ZINC001571298522 946219855 /nfs/dbraw/zinc/21/98/55/946219855.db2.gz ABUJFRNBHBHFCI-STQMWFEESA-N 1 0 390.517 1.201 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571298909 946234040 /nfs/dbraw/zinc/23/40/40/946234040.db2.gz GHFJICZJXBPBEL-BXUZGUMPSA-N 1 0 390.879 1.270 20 0 GDADRO O=C(CC[NH+]1CCC(O[C@@H]2CCOC2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822964116 946235774 /nfs/dbraw/zinc/23/57/74/946235774.db2.gz DHQYLHXQVGRLAN-QGZVFWFLSA-N 1 0 386.456 1.465 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ncc(-c4nn[nH]n4)cc3Cl)C2)C1 ZINC001571299136 946239955 /nfs/dbraw/zinc/23/99/55/946239955.db2.gz IYKYRMVFGKFOSU-GMXVVIOVSA-N 1 0 390.879 1.174 20 0 GDADRO CN(C(=O)[C@H]1CCCO1)C1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571299358 946249815 /nfs/dbraw/zinc/24/98/15/946249815.db2.gz LQAWETFVTWTIQM-SSDMNJCBSA-N 1 0 390.513 1.966 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C)SC)C2)cc1-c1nn[nH]n1 ZINC001571299716 946260263 /nfs/dbraw/zinc/26/02/63/946260263.db2.gz OUMVAPDQJDFOLB-OCCSQVGLSA-N 1 0 390.513 1.707 20 0 GDADRO O=C(COC1CCCC1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571300169 946274836 /nfs/dbraw/zinc/27/48/36/946274836.db2.gz WEKHFXSUCNBIQY-UHFFFAOYSA-N 1 0 390.513 1.968 20 0 GDADRO O=C(C[C@@H]1CCOC1)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571300155 946275695 /nfs/dbraw/zinc/27/56/95/946275695.db2.gz VVUZJVUXYDFXQC-KBPBESRZSA-N 1 0 390.513 1.826 20 0 GDADRO CO[C@@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571300329 946280649 /nfs/dbraw/zinc/28/06/49/946280649.db2.gz ZUCKMDLHLBHOQT-HUUCEWRRSA-N 1 0 390.513 1.824 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(F)(F)C1 ZINC001571302152 946294834 /nfs/dbraw/zinc/29/48/34/946294834.db2.gz PTQOAQGKSJUDFP-OLZOCXBDSA-N 1 0 391.426 1.919 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571302345 946300037 /nfs/dbraw/zinc/30/00/37/946300037.db2.gz VJNXIFCPRWYXIE-JHJVBQTASA-N 1 0 391.426 1.625 20 0 GDADRO Cc1cc(NCC2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571302326 946300635 /nfs/dbraw/zinc/30/06/35/946300635.db2.gz UUIIVIRNQJEITA-STQMWFEESA-N 1 0 391.426 1.544 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCC3)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571305592 946369775 /nfs/dbraw/zinc/36/97/75/946369775.db2.gz GRDAZZKFXCBNDY-PPUGGXLSSA-N 1 0 391.479 1.982 20 0 GDADRO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccccc1 ZINC001571306285 946395110 /nfs/dbraw/zinc/39/51/10/946395110.db2.gz JJIUSIBJOIGHBB-GOSISDBHSA-N 1 0 391.479 1.694 20 0 GDADRO O=S(=O)(CCN1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823563010 946447293 /nfs/dbraw/zinc/44/72/93/946447293.db2.gz YQBIHOONNVGSHG-MRXNPFEDSA-N 1 0 390.513 1.201 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823689859 946467326 /nfs/dbraw/zinc/46/73/26/946467326.db2.gz JWEAQOUTZOHWFO-WMZOPIPTSA-N 1 0 386.500 1.414 20 0 GDADRO c1cc(-c2nnc(CN3CC[C@@H]([NH+]4CCCCC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823737686 946472921 /nfs/dbraw/zinc/47/29/21/946472921.db2.gz IGPUMMATOFWXRI-MRXNPFEDSA-N 1 0 380.456 1.977 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCCN1C(=O)c1ccncn1 ZINC001571311368 946487939 /nfs/dbraw/zinc/48/79/39/946487939.db2.gz WGBMWMKLORXDMM-RDTXWAMCSA-N 1 0 392.467 1.830 20 0 GDADRO C[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571313777 946532439 /nfs/dbraw/zinc/53/24/39/946532439.db2.gz WBCPOWBSLBGGSD-CJNGLKHVSA-N 1 0 392.467 1.260 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2(C)C)ncn1 ZINC001571315870 946561701 /nfs/dbraw/zinc/56/17/01/946561701.db2.gz QFGBXIXCEQDQNR-KRWDZBQOSA-N 1 0 392.467 1.606 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)nn1 ZINC001571316066 946563076 /nfs/dbraw/zinc/56/30/76/946563076.db2.gz SYADUNMUVUKQQI-PBHICJAKSA-N 1 0 392.467 1.748 20 0 GDADRO Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571316127 946567042 /nfs/dbraw/zinc/56/70/42/946567042.db2.gz URKHABLYOMNBRO-DLBZAZTESA-N 1 0 392.467 1.777 20 0 GDADRO Cn1nccc1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316375 946573300 /nfs/dbraw/zinc/57/33/00/946573300.db2.gz BCFOPUWZNNXPDO-DLBZAZTESA-N 1 0 392.467 1.337 20 0 GDADRO Cc1cnccc1CC(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571316401 946576855 /nfs/dbraw/zinc/57/68/55/946576855.db2.gz BKIOPOURUMPSPX-OAHLLOKOSA-N 1 0 392.467 1.493 20 0 GDADRO Cc1ncncc1C(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571316446 946576867 /nfs/dbraw/zinc/57/68/67/946576867.db2.gz CQZADDGODYIWTR-QAPCUYQASA-N 1 0 392.467 1.653 20 0 GDADRO O=C(NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1c[nH]nc1C1CC1 ZINC001571316425 946577723 /nfs/dbraw/zinc/57/77/23/946577723.db2.gz CGMIGHQFGBIYGR-CQSZACIVSA-N 1 0 392.467 1.719 20 0 GDADRO Cc1nccc(C(=O)NC2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC001571316623 946582330 /nfs/dbraw/zinc/58/23/30/946582330.db2.gz IILJNGMZBYZBOY-UHFFFAOYSA-N 1 0 392.467 1.796 20 0 GDADRO Cn1nc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cc1C1CC1 ZINC001571316730 946586333 /nfs/dbraw/zinc/58/63/33/946586333.db2.gz KVYRWHLZYXUDMA-MRXNPFEDSA-N 1 0 392.467 1.482 20 0 GDADRO Cc1ncc(C(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)c(C)n1 ZINC001571317078 946598967 /nfs/dbraw/zinc/59/89/67/946598967.db2.gz UYSBBJHPPGSREV-SJCJKPOMSA-N 1 0 392.467 1.666 20 0 GDADRO Cc1cncc(CC(=O)N2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)c1 ZINC001571317173 946602266 /nfs/dbraw/zinc/60/22/66/946602266.db2.gz XCBQOEKPDKHTLF-UHFFFAOYSA-N 1 0 392.467 1.555 20 0 GDADRO Cc1cnc(C(=O)N2C[C@@H](C)[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571317221 946603916 /nfs/dbraw/zinc/60/39/16/946603916.db2.gz YHDXQURTLXXUGM-CABCVRRESA-N 1 0 392.467 1.516 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnc2n1CCC2 ZINC001571317403 946609321 /nfs/dbraw/zinc/60/93/21/946609321.db2.gz GRDOHLYFVOFVPX-KOMQPUFPSA-N 1 0 392.467 1.308 20 0 GDADRO O=C(c1cnn2c1CCC2)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571317598 946613986 /nfs/dbraw/zinc/61/39/86/946613986.db2.gz NZDSVUBQTOQQHS-OAHLLOKOSA-N 1 0 392.467 1.404 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000824412603 946693529 /nfs/dbraw/zinc/69/35/29/946693529.db2.gz BQJNDJKFUNBIBV-CYBMUJFWSA-N 1 0 387.469 1.061 20 0 GDADRO C[C@H](Cc1cnccn1)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824463657 946717126 /nfs/dbraw/zinc/71/71/26/946717126.db2.gz ACJWMERFWOXSQX-OAHLLOKOSA-N 1 0 378.484 1.842 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824598789 946848798 /nfs/dbraw/zinc/84/87/98/946848798.db2.gz IWCMUOGJHFSUGV-AWEZNQCLSA-N 1 0 386.481 1.637 20 0 GDADRO C[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824612018 946863124 /nfs/dbraw/zinc/86/31/24/946863124.db2.gz IEDLYZPZOAVOHA-FKIZINRSSA-N 1 0 391.435 1.772 20 0 GDADRO C[C@@H]1CN(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824985209 947025883 /nfs/dbraw/zinc/02/58/83/947025883.db2.gz SZHNZTBERYPUHS-CQSZACIVSA-N 1 0 382.472 1.078 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)Cc1noc(C)c1-c1nn[nH]n1)Cc1ccccc1 ZINC000825405491 947176001 /nfs/dbraw/zinc/17/60/01/947176001.db2.gz BUFKIYZACOKCJM-INIZCTEOSA-N 1 0 397.483 1.775 20 0 GDADRO CC[NH+]1CCN(c2ccc(CNc3nccc(C)c3-c3nn[nH]n3)cn2)CC1 ZINC000825465058 947197796 /nfs/dbraw/zinc/19/77/96/947197796.db2.gz GZPUMISGSUPVEB-UHFFFAOYSA-N 1 0 379.472 1.719 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000825663238 947281192 /nfs/dbraw/zinc/28/11/92/947281192.db2.gz KBQOXOUHCHRXJM-NSHDSACASA-N 1 0 382.465 1.471 20 0 GDADRO CN(C)c1nccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000825887853 947359559 /nfs/dbraw/zinc/35/95/59/947359559.db2.gz KVSZSFVYYUCBRO-UHFFFAOYSA-N 1 0 393.499 1.431 20 0 GDADRO C[N@H+](C[C@@H]1CC=CCC1)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000825908770 947365949 /nfs/dbraw/zinc/36/59/49/947365949.db2.gz LTWHQCDOJBFUIS-OAHLLOKOSA-N 1 0 395.467 1.877 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573595068 947415242 /nfs/dbraw/zinc/41/52/42/947415242.db2.gz FKUDTIXDCLSUJO-WFASDCNBSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573596173 947427195 /nfs/dbraw/zinc/42/71/95/947427195.db2.gz JAWKLWZWPWCAMP-OAHLLOKOSA-N 1 0 382.472 1.605 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)(F)F ZINC001573598831 947448164 /nfs/dbraw/zinc/44/81/64/947448164.db2.gz SETHMDRIMRZGGX-FZMZJTMJSA-N 1 0 382.415 1.067 20 0 GDADRO COCCN1CCC([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826159938 947502241 /nfs/dbraw/zinc/50/22/41/947502241.db2.gz YGTCEARSACNCML-UHFFFAOYSA-N 1 0 399.543 1.532 20 0 GDADRO COCCOc1ccc(-c2nn[nH]n2)cc1NC(=S)NC1CC[NH+](C)CC1 ZINC000826162260 947509389 /nfs/dbraw/zinc/50/93/89/947509389.db2.gz URCCUYOSHHVOAC-UHFFFAOYSA-N 1 0 391.501 1.273 20 0 GDADRO C[C@H](C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573613519 947564479 /nfs/dbraw/zinc/56/44/79/947564479.db2.gz BNZZLJHXCMPTIA-XOBRGWDASA-N 1 0 392.467 1.533 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573613786 947571002 /nfs/dbraw/zinc/57/10/02/947571002.db2.gz IUYIZYBWWKGVRG-JCGIZDLHSA-N 1 0 392.467 1.500 20 0 GDADRO C[C@H](C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573614222 947581915 /nfs/dbraw/zinc/58/19/15/947581915.db2.gz DGPWQGBEIRZACF-CQSZACIVSA-N 1 0 380.456 1.539 20 0 GDADRO COc1cccc2c1CC[N@H+](C[C@@H](O)COc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826217905 947642214 /nfs/dbraw/zinc/64/22/14/947642214.db2.gz HICVZIHMYWHZGR-MRXNPFEDSA-N 1 0 381.436 1.673 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573618422 947650949 /nfs/dbraw/zinc/65/09/49/947650949.db2.gz SAABLXFCQHBJIF-UONOGXRCSA-N 1 0 381.444 1.004 20 0 GDADRO C[C@H](C(=O)N1CCC(O)(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)C1CC1 ZINC001573623394 947685229 /nfs/dbraw/zinc/68/52/29/947685229.db2.gz FFHBEGMTNRSWOB-AWEZNQCLSA-N 1 0 384.484 1.356 20 0 GDADRO Cc1c(Cl)cnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1-c1nn[nH]n1 ZINC000826237866 947697270 /nfs/dbraw/zinc/69/72/70/947697270.db2.gz NXYGEISJZKWAAO-UHFFFAOYSA-N 1 0 387.879 1.669 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1F ZINC001573625195 947698432 /nfs/dbraw/zinc/69/84/32/947698432.db2.gz NPOAHCMJQREXFL-QWHCGFSZSA-N 1 0 381.415 1.639 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001573367894 947765449 /nfs/dbraw/zinc/76/54/49/947765449.db2.gz ILDGSFNROOUQBV-RDTXWAMCSA-N 1 0 384.484 1.810 20 0 GDADRO CC(=O)CCCC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573367953 947765620 /nfs/dbraw/zinc/76/56/20/947765620.db2.gz JQJWTUDVSIBSBZ-LBPRGKRZSA-N 1 0 376.436 1.702 20 0 GDADRO C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccco1 ZINC001573628951 947769654 /nfs/dbraw/zinc/76/96/54/947769654.db2.gz PIQVPTZKSNVHSB-ZIAGYGMSSA-N 1 0 381.440 1.873 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573373952 947802133 /nfs/dbraw/zinc/80/21/33/947802133.db2.gz HFWCQXLUAZKSPP-OAHLLOKOSA-N 1 0 385.472 1.805 20 0 GDADRO CC(=O)CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573375109 947816344 /nfs/dbraw/zinc/81/63/44/947816344.db2.gz QURLBTWVARSHIK-YOEHRIQHSA-N 1 0 385.472 1.624 20 0 GDADRO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826288190 947836543 /nfs/dbraw/zinc/83/65/43/947836543.db2.gz VIUCNVZVBUTOFU-UHFFFAOYSA-N 1 0 380.452 1.998 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000826292964 947852026 /nfs/dbraw/zinc/85/20/26/947852026.db2.gz VDKVOYQHMQLNOE-GFCCVEGCSA-N 1 0 392.510 1.866 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1CC1 ZINC001573644048 947867719 /nfs/dbraw/zinc/86/77/19/947867719.db2.gz XQGRWHDFSIKYQI-MLGOLLRUSA-N 1 0 388.447 1.369 20 0 GDADRO CC(=O)CCCC(=O)NCC1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573381270 947872557 /nfs/dbraw/zinc/87/25/57/947872557.db2.gz SIAMAWTZUMJRJG-UHFFFAOYSA-N 1 0 388.447 1.750 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cccc1 ZINC001573652194 947931260 /nfs/dbraw/zinc/93/12/60/947931260.db2.gz WFQYEPVUSBMQDP-KVSKMBFKSA-N 1 0 391.479 1.962 20 0 GDADRO Cc1onc(CC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1-c1nn[nH]n1 ZINC000826344807 948013821 /nfs/dbraw/zinc/01/38/21/948013821.db2.gz SLJAFLZHNQAACL-UHFFFAOYSA-N 1 0 395.467 1.829 20 0 GDADRO Cc1onc(CC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1-c1nn[nH]n1 ZINC000826346372 948037224 /nfs/dbraw/zinc/03/72/24/948037224.db2.gz KYQIKXTXSHNQDF-OAHLLOKOSA-N 1 0 375.477 1.578 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573665268 948069539 /nfs/dbraw/zinc/06/95/39/948069539.db2.gz JZRYKPBKXIRMOH-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573666255 948084789 /nfs/dbraw/zinc/08/47/89/948084789.db2.gz RNXMUFHROKEILI-LSDHHAIUSA-N 1 0 380.456 1.800 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573673800 948115874 /nfs/dbraw/zinc/11/58/74/948115874.db2.gz LHYWQMJHZLYUMK-HUUCEWRRSA-N 1 0 384.488 1.221 20 0 GDADRO CC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@H](C(F)(F)F)C1 ZINC001573425752 948150660 /nfs/dbraw/zinc/15/06/60/948150660.db2.gz BKQOWUQHUPZMPS-BXUZGUMPSA-N 1 0 386.353 1.752 20 0 GDADRO NC(=O)[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388700 948196360 /nfs/dbraw/zinc/19/63/60/948196360.db2.gz HGZWJKHZRUUNBN-WBVHZDCISA-N 1 0 397.870 1.915 20 0 GDADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000826389451 948198960 /nfs/dbraw/zinc/19/89/60/948198960.db2.gz YSSAWQYCDZFOJM-GOSISDBHSA-N 1 0 394.483 1.782 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC1)[C@@H]1CCCO1 ZINC001573691997 948252870 /nfs/dbraw/zinc/25/28/70/948252870.db2.gz KLUKLNBAIDJYHE-PBHICJAKSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573692676 948272215 /nfs/dbraw/zinc/27/22/15/948272215.db2.gz QIIZUXURXCSWKS-WCQYABFASA-N 1 0 378.452 1.255 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)c1cnn(C)c1 ZINC001573693243 948277923 /nfs/dbraw/zinc/27/79/23/948277923.db2.gz VVNZDDZZUNSJHQ-CYBMUJFWSA-N 1 0 380.456 1.142 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC1)n1cccn1 ZINC001573693784 948287154 /nfs/dbraw/zinc/28/71/54/948287154.db2.gz ZHHJZGVGLKFEII-CQSZACIVSA-N 1 0 380.456 1.453 20 0 GDADRO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1CC1 ZINC001573695613 948307086 /nfs/dbraw/zinc/30/70/86/948307086.db2.gz HNWYVEVXKRQYDE-BUXKBTBVSA-N 1 0 388.447 1.105 20 0 GDADRO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1CC1 ZINC001573695617 948307784 /nfs/dbraw/zinc/30/77/84/948307784.db2.gz HNWYVEVXKRQYDE-HXPMCKFVSA-N 1 0 388.447 1.105 20 0 GDADRO O=C1[C@H](N2CCC[C@H]([NH+]3CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476836 948386007 /nfs/dbraw/zinc/38/60/07/948386007.db2.gz QBKNQXNHDWJCSI-RBUKOAKNSA-N 1 0 395.511 1.922 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573707501 948433129 /nfs/dbraw/zinc/43/31/29/948433129.db2.gz POEJMUDPJPZVGK-UONOGXRCSA-N 1 0 385.497 1.929 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573707719 948436745 /nfs/dbraw/zinc/43/67/45/948436745.db2.gz QFTUOCKNXPFCAX-NVXWUHKLSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573714990 948480401 /nfs/dbraw/zinc/48/04/01/948480401.db2.gz MMTSQUZJEJMOSM-GJZGRUSLSA-N 1 0 380.456 1.657 20 0 GDADRO C[C@@H](CCNC(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573716928 948502013 /nfs/dbraw/zinc/50/20/13/948502013.db2.gz KDRFKXSGIXBWAV-KBPBESRZSA-N 1 0 382.472 1.388 20 0 GDADRO C[N@@H+]1C[C@@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001562030289 948558594 /nfs/dbraw/zinc/55/85/94/948558594.db2.gz JLIQJKCPUATUGG-MRCXROJRSA-N 1 0 382.877 1.139 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C1CCCC1 ZINC001573740656 948639471 /nfs/dbraw/zinc/63/94/71/948639471.db2.gz MGNPNQNCZRJIRX-FSPWUOQZSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573740820 948642902 /nfs/dbraw/zinc/64/29/02/948642902.db2.gz TVNOKADDCOKAHO-NZPGVSJUSA-N 1 0 392.467 1.546 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C)n1cccn1 ZINC001573741462 948654734 /nfs/dbraw/zinc/65/47/34/948654734.db2.gz XLLUWBDYNRPKBR-JKIFEVAISA-N 1 0 380.456 1.261 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1F ZINC001573746880 948686120 /nfs/dbraw/zinc/68/61/20/948686120.db2.gz MKPQXGNLUQGPFA-UPJWGTAASA-N 1 0 381.415 1.686 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573747351 948689866 /nfs/dbraw/zinc/68/98/66/948689866.db2.gz NUESCILNZGAENQ-XWIAVFTESA-N 1 0 377.452 1.802 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573748090 948694863 /nfs/dbraw/zinc/69/48/63/948694863.db2.gz ROIFMYBNEMXCKW-AEGPPILISA-N 1 0 383.431 1.805 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)C(C)(F)F ZINC001573751929 948706671 /nfs/dbraw/zinc/70/66/71/948706671.db2.gz IHJYILQWRPDWGE-RABLLNBGSA-N 1 0 376.411 1.704 20 0 GDADRO C[C@H](CNC(=O)CCc1cccc(F)c1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574914318 948748248 /nfs/dbraw/zinc/74/82/48/948748248.db2.gz IIQGBVZUOBOWCX-LLVKDONJSA-N 1 0 387.394 1.511 20 0 GDADRO CC(F)(F)C1(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001575221691 948752715 /nfs/dbraw/zinc/75/27/15/948752715.db2.gz BCAXRYNDNSWORA-UHFFFAOYSA-N 1 0 376.411 1.850 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001575223303 948763076 /nfs/dbraw/zinc/76/30/76/948763076.db2.gz NKLWARYSGXODPO-RYUDHWBXSA-N 1 0 391.426 1.958 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001575223924 948774950 /nfs/dbraw/zinc/77/49/50/948774950.db2.gz PLUWNXBZERZLTB-ZDUSSCGKSA-N 1 0 376.411 1.993 20 0 GDADRO CC(F)(F)CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001575225144 948797586 /nfs/dbraw/zinc/79/75/86/948797586.db2.gz XFCLGUWDPACIHA-OLZOCXBDSA-N 1 0 377.399 1.568 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnccn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574916995 948800090 /nfs/dbraw/zinc/80/00/90/948800090.db2.gz ODSKNCWNNHLSGA-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO CC(C)[C@@H](F)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574081132 948819863 /nfs/dbraw/zinc/81/98/63/948819863.db2.gz QPDYHOKPPUADRJ-DJSGYFEHSA-N 1 0 378.427 1.984 20 0 GDADRO CC(C)c1ccoc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574422369 948835589 /nfs/dbraw/zinc/83/55/89/948835589.db2.gz ZORHKMCHPWNFFM-NSHDSACASA-N 1 0 390.469 1.525 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)F ZINC001573761286 948839232 /nfs/dbraw/zinc/83/92/32/948839232.db2.gz GCZXMURKUNLFMO-NSHDSACASA-N 1 0 379.415 1.625 20 0 GDADRO CC(C)[C@H](F)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574082004 948844975 /nfs/dbraw/zinc/84/49/75/948844975.db2.gz ZBUHXHZIRNUNJD-PEYYIBSZSA-N 1 0 378.427 1.984 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001574918790 948859365 /nfs/dbraw/zinc/85/93/65/948859365.db2.gz QLYVQRQYBKZKBK-CQSZACIVSA-N 1 0 387.492 1.087 20 0 GDADRO C[C@@H](CNC(=O)CCCn1ccnc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574918970 948864834 /nfs/dbraw/zinc/86/48/34/948864834.db2.gz SKLPMXJZCOVJPW-ZDUSSCGKSA-N 1 0 386.435 1.277 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnn(C)c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920128 948887772 /nfs/dbraw/zinc/88/77/72/948887772.db2.gz DCWTWZWWFBKPJU-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](CNC(=O)CCc1nccs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920225 948892604 /nfs/dbraw/zinc/89/26/04/948892604.db2.gz GDYVYAITNQPUQH-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)C1)[NH+]1CCCC1 ZINC001573765265 948905616 /nfs/dbraw/zinc/90/56/16/948905616.db2.gz XSSLPCNNGCMZOE-ZDUSSCGKSA-N 1 0 388.451 1.288 20 0 GDADRO C[C@H](CNC(=O)CCc1cncnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920708 948911280 /nfs/dbraw/zinc/91/12/80/948911280.db2.gz OWERTKNJKKCHAL-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCNc2ncccc2-c2nn[nH]n2)CC1 ZINC001574685701 948915187 /nfs/dbraw/zinc/91/51/87/948915187.db2.gz ABTUGMBNYLGESL-AWEZNQCLSA-N 1 0 386.504 1.689 20 0 GDADRO C[C@@H](CNC(=O)CN(C)c1ccccc1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574925828 948979296 /nfs/dbraw/zinc/97/92/96/948979296.db2.gz DZOVXOSZDFSZEC-AWEZNQCLSA-N 1 0 380.456 1.339 20 0 GDADRO CC(C)(C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)c1c[nH]cn1 ZINC001573773404 948984503 /nfs/dbraw/zinc/98/45/03/948984503.db2.gz AVNFIHXTVUTMPA-UHFFFAOYSA-N 1 0 386.485 1.368 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926221 948991988 /nfs/dbraw/zinc/99/19/88/948991988.db2.gz LFCNAONWSNLSNM-NWDGAFQWSA-N 1 0 392.895 1.421 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573773762 948992967 /nfs/dbraw/zinc/99/29/67/948992967.db2.gz GXVOGUDTVBEYAA-HNNXBMFYSA-N 1 0 390.463 1.399 20 0 GDADRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001574091363 949012879 /nfs/dbraw/zinc/01/28/79/949012879.db2.gz KPHKIYIOQFXDBW-FGTMMUONSA-N 1 0 384.484 1.621 20 0 GDADRO C[C@H](Oc1cccnc1)C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575501468 949014034 /nfs/dbraw/zinc/01/40/34/949014034.db2.gz HWWVSESTTSNLOH-AWEZNQCLSA-N 1 0 381.440 1.277 20 0 GDADRO CC(C)(C(=O)NC[C@@H](Nc1ccc(-c2nn[nH]n2)nc1)C1CC1)[NH+]1CCCC1 ZINC001573775671 949048618 /nfs/dbraw/zinc/04/86/18/949048618.db2.gz ZVOUTJHWFRUNEQ-MRXNPFEDSA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001573780369 949087938 /nfs/dbraw/zinc/08/79/38/949087938.db2.gz XKGBGLUXJBAGFS-HNNXBMFYSA-N 1 0 384.488 1.221 20 0 GDADRO CC(C)(C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573780380 949095770 /nfs/dbraw/zinc/09/57/70/949095770.db2.gz XRJXKSSWEJBIEP-UHFFFAOYSA-N 1 0 383.378 1.579 20 0 GDADRO C[C@@H](NC(=O)C1(C(F)F)CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575249430 949097434 /nfs/dbraw/zinc/09/74/34/949097434.db2.gz BUCOJXGJLMVGAP-LLVKDONJSA-N 1 0 376.411 1.849 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574930222 949105567 /nfs/dbraw/zinc/10/55/67/949105567.db2.gz JYHWQSYFIJVFQS-GFCCVEGCSA-N 1 0 376.436 1.559 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574931364 949117574 /nfs/dbraw/zinc/11/75/74/949117574.db2.gz OROGWAHJBZOIPM-ZDUSSCGKSA-N 1 0 390.463 1.949 20 0 GDADRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001574094413 949138312 /nfs/dbraw/zinc/13/83/12/949138312.db2.gz VSWDCMUWTBZREQ-NVXWUHKLSA-N 1 0 390.513 1.750 20 0 GDADRO CC(C)c1ocnc1C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574447078 949149213 /nfs/dbraw/zinc/14/92/13/949149213.db2.gz FLESOEJLWJOLTI-LBPRGKRZSA-N 1 0 382.428 1.512 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001573786998 949160612 /nfs/dbraw/zinc/16/06/12/949160612.db2.gz ITQTZSXFMDTTPS-CTYIDZIISA-N 1 0 384.488 1.443 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)Cc2cncs2)CC1 ZINC001575853856 949217776 /nfs/dbraw/zinc/21/77/76/949217776.db2.gz OBMDDVCCDFXOQX-UHFFFAOYSA-N 1 0 384.469 1.176 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574699086 949230229 /nfs/dbraw/zinc/23/02/29/949230229.db2.gz SGXPASJORYHGEC-ZIAGYGMSSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@@H](c1ncccn1)[N@H+]1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 ZINC001575521224 949260206 /nfs/dbraw/zinc/26/02/06/949260206.db2.gz DRFYKXBWWASHDQ-FRRDWIJNSA-N 1 0 381.444 1.044 20 0 GDADRO CC(C)n1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001574452957 949276063 /nfs/dbraw/zinc/27/60/63/949276063.db2.gz SNYZXAWSYZYONK-CYBMUJFWSA-N 1 0 386.485 1.710 20 0 GDADRO C[C@@H](c1ncccn1)[N@@H+]1CC[C@@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522545 949283077 /nfs/dbraw/zinc/28/30/77/949283077.db2.gz MOGKVSVGVKZOTB-QWHCGFSZSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCC1(F)F)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575259937 949341898 /nfs/dbraw/zinc/34/18/98/949341898.db2.gz SPYGEEXKVLWCLO-JOYOIKCWSA-N 1 0 382.440 1.910 20 0 GDADRO CC1=C(C)C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575862143 949342498 /nfs/dbraw/zinc/34/24/98/949342498.db2.gz XZZKSIYDJLBWPI-ROUUACIJSA-N 1 0 384.484 1.570 20 0 GDADRO C[C@@H]1CCC[C@H](OCC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576154622 949347891 /nfs/dbraw/zinc/34/78/91/949347891.db2.gz QIQIVDIYSJLKPB-CJNGLKHVSA-N 1 0 390.463 1.807 20 0 GDADRO CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574110136 949349892 /nfs/dbraw/zinc/34/98/92/949349892.db2.gz RCADUOXJDOWVRH-TZMCWYRMSA-N 1 0 378.502 1.680 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574703802 949350763 /nfs/dbraw/zinc/35/07/63/949350763.db2.gz YMFHMHNTXHVOSH-YJYMSZOUSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001574460145 949370569 /nfs/dbraw/zinc/37/05/69/949370569.db2.gz QEJOCVPTBFAPKP-NNUKFRKNSA-N 1 0 383.460 1.270 20 0 GDADRO C[C@@H](CNC(=O)Cc1ncccc1F)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574944830 949400071 /nfs/dbraw/zinc/40/00/71/949400071.db2.gz GWRPQFXXMYJXHY-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@H](CN(C)C(=O)C1CC(F)(F)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574705110 949413307 /nfs/dbraw/zinc/41/33/07/949413307.db2.gz RHIGTQSYLRZTNU-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575264181 949421434 /nfs/dbraw/zinc/42/14/34/949421434.db2.gz MJUKANULLIMPPW-GHMZBOCLSA-N 1 0 376.440 1.048 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CCCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264389 949423619 /nfs/dbraw/zinc/42/36/19/949423619.db2.gz NYTFRCKWBCCMMF-BXUZGUMPSA-N 1 0 376.486 1.434 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H](CC[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575535226 949441076 /nfs/dbraw/zinc/44/10/76/949441076.db2.gz UIQAAZZKIBWAAX-MGPUTAFESA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575265241 949444844 /nfs/dbraw/zinc/44/48/44/949444844.db2.gz SMKPNEQVBHSZEM-HUUCEWRRSA-N 1 0 386.500 1.744 20 0 GDADRO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574706849 949462651 /nfs/dbraw/zinc/46/26/51/949462651.db2.gz MYNRYWLTFVFOGO-UKRRQHHQSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575266034 949466244 /nfs/dbraw/zinc/46/62/44/949466244.db2.gz WVHROEYPZCCLBQ-PXAZEXFGSA-N 1 0 387.463 1.037 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574707635 949472456 /nfs/dbraw/zinc/47/24/56/949472456.db2.gz PFFHPZABVQPCBM-LRDDRELGSA-N 1 0 376.436 1.511 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574469443 949480466 /nfs/dbraw/zinc/48/04/66/949480466.db2.gz DLZMKRKWLICJLQ-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](NC(=O)CC(C)(F)F)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575266586 949485938 /nfs/dbraw/zinc/48/59/38/949485938.db2.gz ZSQWSRLUWPVZNX-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)n1nccc1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574470899 949522008 /nfs/dbraw/zinc/52/20/08/949522008.db2.gz XLCYKGYGFJRWLB-AWEZNQCLSA-N 1 0 382.472 1.942 20 0 GDADRO C[C@@H](NC(=O)C[C@H]1CCCCO1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575269917 949565540 /nfs/dbraw/zinc/56/55/40/949565540.db2.gz XHWBZTJNEGDEKR-RHSMWYFYSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575873258 949572179 /nfs/dbraw/zinc/57/21/79/949572179.db2.gz AJFKCHVDXSMAQG-BBRMVZONSA-N 1 0 384.488 1.220 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCCOC1 ZINC001575544087 949576589 /nfs/dbraw/zinc/57/65/89/949576589.db2.gz ANPJBNRIAARLDM-UZLBHIALSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574712417 949578367 /nfs/dbraw/zinc/57/83/67/949578367.db2.gz SEJYTZPYYPLLCL-MNOVXSKESA-N 1 0 378.868 1.126 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cc[nH]n1 ZINC001573810816 949582433 /nfs/dbraw/zinc/58/24/33/949582433.db2.gz DKHUERSDJIXLKY-INIZCTEOSA-N 1 0 382.472 1.453 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ccncn1 ZINC001573811144 949590447 /nfs/dbraw/zinc/59/04/47/949590447.db2.gz IFIGEIHXMBOHLK-AWEZNQCLSA-N 1 0 386.485 1.653 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@]1(F)CCOC1 ZINC001573811151 949591326 /nfs/dbraw/zinc/59/13/26/949591326.db2.gz IGVLSDJOHMICCZ-KXBFYZLASA-N 1 0 390.463 1.616 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574956997 949591769 /nfs/dbraw/zinc/59/17/69/949591769.db2.gz PFSRHXZEEWKDBV-XDYSWHRSSA-N 1 0 386.431 1.024 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574957002 949593809 /nfs/dbraw/zinc/59/38/09/949593809.db2.gz PKRSMKMFASDYRM-IWSPIJDZSA-N 1 0 384.897 1.233 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ncccn1 ZINC001573811178 949594466 /nfs/dbraw/zinc/59/44/66/949594466.db2.gz IMEBPKQWEUXMEF-OAHLLOKOSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnns1 ZINC001573811318 949595551 /nfs/dbraw/zinc/59/55/51/949595551.db2.gz JYOIKQDMDNOEOZ-GFCCVEGCSA-N 1 0 392.514 1.714 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1nnc[nH]1 ZINC001573811553 949599579 /nfs/dbraw/zinc/59/95/79/949599579.db2.gz LLUWPXAFKQZSLX-ZDUSSCGKSA-N 1 0 387.423 1.058 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1n[nH]cc1F ZINC001573811842 949608686 /nfs/dbraw/zinc/60/86/86/949608686.db2.gz OAQSWRHUDQZJIH-LBPRGKRZSA-N 1 0 392.464 1.725 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CC1(O)CCC1 ZINC001573811889 949609373 /nfs/dbraw/zinc/60/93/73/949609373.db2.gz OVXCKBAJAVAUIF-MRXNPFEDSA-N 1 0 386.500 1.792 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCCO1 ZINC001573812557 949616077 /nfs/dbraw/zinc/61/60/77/949616077.db2.gz SJZIBQUNULXOPT-JKSUJKDBSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@]1(C(=O)N2CCCCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCOC1 ZINC001575546848 949618590 /nfs/dbraw/zinc/61/85/90/949618590.db2.gz SDFWCEVNQNZPQQ-LIRRHRJNSA-N 1 0 385.472 1.293 20 0 GDADRO CC1(C(=O)N2CCCO[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CC1 ZINC001575547193 949620670 /nfs/dbraw/zinc/62/06/70/949620670.db2.gz VSHBPVFCGAUDBT-CQSZACIVSA-N 1 0 388.447 1.513 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)cn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573813330 949629036 /nfs/dbraw/zinc/62/90/36/949629036.db2.gz YHALHQRYVLDBBB-OAHLLOKOSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]cn1 ZINC001573813232 949629904 /nfs/dbraw/zinc/62/99/04/949629904.db2.gz XFXIFGMZSKJRII-INIZCTEOSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714863 949639006 /nfs/dbraw/zinc/63/90/06/949639006.db2.gz GZEUWRDZCXWHQV-UKRRQHHQSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574958463 949676560 /nfs/dbraw/zinc/67/65/60/949676560.db2.gz KEAQMDRGFRAWJQ-AEGPPILISA-N 1 0 378.440 1.047 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574716137 949685113 /nfs/dbraw/zinc/68/51/13/949685113.db2.gz MYXUFKMWQDYARU-HXPMCKFVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H](C)n1ccnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574716127 949685320 /nfs/dbraw/zinc/68/53/20/949685320.db2.gz MWPQAVXFTITYHW-GJZGRUSLSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)COCC2CC2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575879713 949689781 /nfs/dbraw/zinc/68/97/81/949689781.db2.gz RGMMGKDEYJNNCR-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574959794 949717490 /nfs/dbraw/zinc/71/74/90/949717490.db2.gz UEVOXHBYHMJMMD-ZOCIIQOWSA-N 1 0 398.511 1.866 20 0 GDADRO C[C@H](CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001574478839 949722370 /nfs/dbraw/zinc/72/23/70/949722370.db2.gz BJIGVWAGJCSJJM-CXAGYDPISA-N 1 0 385.472 1.292 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575881785 949735277 /nfs/dbraw/zinc/73/52/77/949735277.db2.gz AWVKFXPTQFRBOK-CJNGLKHVSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574962576 949737334 /nfs/dbraw/zinc/73/73/34/949737334.db2.gz CAMLSVYYGCYEHF-MJBXVCDLSA-N 1 0 391.545 1.595 20 0 GDADRO C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)CCCOC1 ZINC001575558348 949738663 /nfs/dbraw/zinc/73/86/63/949738663.db2.gz OUPGTBBZBRIHMB-HGHGUNKESA-N 1 0 396.495 1.716 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574962575 949738852 /nfs/dbraw/zinc/73/88/52/949738852.db2.gz CAMLSVYYGCYEHF-IHRRRGAJSA-N 1 0 391.545 1.595 20 0 GDADRO C[C@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576171006 949742240 /nfs/dbraw/zinc/74/22/40/949742240.db2.gz OMPKMCSVEZRCBU-GUYCJALGSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@H](NC(=O)CCc1ccncn1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277177 949747113 /nfs/dbraw/zinc/74/71/13/949747113.db2.gz OMPFMRGIXZIAGG-AWEZNQCLSA-N 1 0 392.467 1.226 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccc(F)cn1 ZINC001573819031 949750771 /nfs/dbraw/zinc/75/07/71/949750771.db2.gz RFPMWKPVLKJWGH-HNNXBMFYSA-N 1 0 384.419 1.474 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cc2ccon2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575882202 949757389 /nfs/dbraw/zinc/75/73/89/949757389.db2.gz HSQMWKZDLYRCNW-GUYCJALGSA-N 1 0 381.440 1.567 20 0 GDADRO CC1(C(=O)NC2CC(C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575559748 949768617 /nfs/dbraw/zinc/76/86/17/949768617.db2.gz FRUPVRXKIXPIRW-UHFFFAOYSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@]1(C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575560396 949788714 /nfs/dbraw/zinc/78/87/14/949788714.db2.gz PQPXYETVESFTQE-LAGYLCCXSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574964977 949789797 /nfs/dbraw/zinc/78/97/97/949789797.db2.gz COKVODVBHQCRQT-FXHACXQTSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574965570 949802873 /nfs/dbraw/zinc/80/28/73/949802873.db2.gz HBUBOXDFYQJSLZ-FXHACXQTSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H](NC(=O)COc1ccccc1F)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575281304 949808530 /nfs/dbraw/zinc/80/85/30/949808530.db2.gz FNRQJONGYBKCCT-VXGBXAGGSA-N 1 0 385.403 1.207 20 0 GDADRO CC(C)C[C@@H](C)C[NH+]1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001574139332 949814609 /nfs/dbraw/zinc/81/46/09/949814609.db2.gz JPXQGTIAFQDYLD-OAHLLOKOSA-N 1 0 388.520 1.224 20 0 GDADRO C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574965915 949823730 /nfs/dbraw/zinc/82/37/30/949823730.db2.gz OSJOUQAYYDCSFE-USWWRNFRSA-N 1 0 382.390 1.844 20 0 GDADRO C[C@H](CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001574483761 949842394 /nfs/dbraw/zinc/84/23/94/949842394.db2.gz LEHWBDNZHNVOPN-OCCSQVGLSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001574483778 949842954 /nfs/dbraw/zinc/84/29/54/949842954.db2.gz LYUMERVIRBVSTJ-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](CNC(=O)c1c(F)cncc1F)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574968200 949892031 /nfs/dbraw/zinc/89/20/31/949892031.db2.gz NIGBYNRWCIYGCA-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C(F)(F)F ZINC001574484665 949895526 /nfs/dbraw/zinc/89/55/26/949895526.db2.gz LPNPINKIRDWYKJ-QWRGUYRKSA-N 1 0 383.378 1.675 20 0 GDADRO CC(C)(C)/C=C\C(=O)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573826013 949897510 /nfs/dbraw/zinc/89/75/10/949897510.db2.gz DWESNQQPXNAKKG-VSKVDJIOSA-N 1 0 385.472 1.315 20 0 GDADRO C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)CCOC1 ZINC001575569315 949915170 /nfs/dbraw/zinc/91/51/70/949915170.db2.gz IQPARSNOVKYEFV-KRWDZBQOSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@@H](NC(=O)COCC(F)F)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575284806 949917919 /nfs/dbraw/zinc/91/79/19/949917919.db2.gz WRTHOBLBQUCFGL-SECBINFHSA-N 1 0 386.428 1.146 20 0 GDADRO CC1(C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CCOCC1 ZINC001575570580 949940164 /nfs/dbraw/zinc/94/01/64/949940164.db2.gz SGTVEIMNTISCFI-UHFFFAOYSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1C[NH2+]Cc1cncs1 ZINC001576180483 949957138 /nfs/dbraw/zinc/95/71/38/949957138.db2.gz IVQOPBBCFPPPOF-NHYWBVRUSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@H](CN(C)C(=O)COc1ccsc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574727456 949966006 /nfs/dbraw/zinc/96/60/06/949966006.db2.gz TUZOJBVKHIKLQS-CYBMUJFWSA-N 1 0 386.481 1.944 20 0 GDADRO C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574489640 949966931 /nfs/dbraw/zinc/96/69/31/949966931.db2.gz KBJVNNRYPHUPPR-GIPNMCIBSA-N 1 0 383.378 1.531 20 0 GDADRO CC1(C(=O)NC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC(F)(F)C1 ZINC001575572100 949968106 /nfs/dbraw/zinc/96/81/06/949968106.db2.gz DFIPHIYQIMYHIV-ZDUSSCGKSA-N 1 0 377.399 1.426 20 0 GDADRO CC(C)(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573830655 949982426 /nfs/dbraw/zinc/98/24/26/949982426.db2.gz NCRKQKGFURGYTC-GFCCVEGCSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2cccn2C)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575891110 949982810 /nfs/dbraw/zinc/98/28/10/949982810.db2.gz DYHHDBNTJAFSNA-YOEHRIQHSA-N 1 0 379.468 1.988 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCO1 ZINC001574150997 950049624 /nfs/dbraw/zinc/04/96/24/950049624.db2.gz IVNRPCBLQPWKEN-WBVHZDCISA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H](O)C(C)C ZINC001574151038 950052984 /nfs/dbraw/zinc/05/29/84/950052984.db2.gz JXKCHHKDONYYNL-RHSMWYFYSA-N 1 0 392.479 1.643 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1ccnc1 ZINC001574492055 950056593 /nfs/dbraw/zinc/05/65/93/950056593.db2.gz IRGCRHAOERKZRB-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C1=COCCO1 ZINC001574151277 950063202 /nfs/dbraw/zinc/06/32/02/950063202.db2.gz ONOVGTYFQBBAPQ-MRXNPFEDSA-N 1 0 386.456 1.375 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cnon1 ZINC001574151319 950068289 /nfs/dbraw/zinc/06/82/89/950068289.db2.gz PDMXYBWFBHKTTM-LBPRGKRZSA-N 1 0 388.407 1.323 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CC1(O)CCC1 ZINC001574151437 950073375 /nfs/dbraw/zinc/07/33/75/950073375.db2.gz REGCXNVFWVIBGJ-QGZVFWFLSA-N 1 0 386.500 1.792 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cocn1 ZINC001574151659 950088884 /nfs/dbraw/zinc/08/88/84/950088884.db2.gz XJCJTPUAOTVBKP-CQSZACIVSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccco1 ZINC001574492568 950091992 /nfs/dbraw/zinc/09/19/92/950091992.db2.gz BIASDCSEPTYLHX-DZGCQCFKSA-N 1 0 384.440 1.220 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151872 950099568 /nfs/dbraw/zinc/09/95/68/950099568.db2.gz ZXLHGOSWCRSBCG-UONOGXRCSA-N 1 0 375.477 1.498 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001574492787 950103375 /nfs/dbraw/zinc/10/33/75/950103375.db2.gz CTOWMBQZDDENJW-SMDDNHRTSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)CCCOC1 ZINC001575582517 950114401 /nfs/dbraw/zinc/11/44/01/950114401.db2.gz FAOZLKRPBIOHDB-FZKQIMNGSA-N 1 0 390.513 1.826 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOC1 ZINC001575582463 950116603 /nfs/dbraw/zinc/11/66/03/950116603.db2.gz CXHBHBMZDLXQHT-JXFKEZNVSA-N 1 0 384.484 1.622 20 0 GDADRO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574152738 950117904 /nfs/dbraw/zinc/11/79/04/950117904.db2.gz JAKLKJRWTXVXKC-GOEBONIOSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cc(F)ccc1Cl ZINC001574977594 950121100 /nfs/dbraw/zinc/12/11/00/950121100.db2.gz MBIVVPBLCFFUJK-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001574978351 950134344 /nfs/dbraw/zinc/13/43/44/950134344.db2.gz RZJSTOPUULTWON-UWVGGRQHSA-N 1 0 375.383 1.942 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1ccon1 ZINC001574153303 950138099 /nfs/dbraw/zinc/13/80/99/950138099.db2.gz RCKDVOUXEKFZBF-MRXNPFEDSA-N 1 0 383.456 1.718 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1ncc[nH]1 ZINC001574153903 950152280 /nfs/dbraw/zinc/15/22/80/950152280.db2.gz XOENEDCFUCQYBT-OAHLLOKOSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2cccnn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575899747 950179552 /nfs/dbraw/zinc/17/95/52/950179552.db2.gz YMWUTEHSSMDSPP-XJKSGUPXSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOC1 ZINC001575584969 950181304 /nfs/dbraw/zinc/18/13/04/950181304.db2.gz UPRMDOPIQBOZJW-AUUYWEPGSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1cnc[nH]1 ZINC001575899946 950186569 /nfs/dbraw/zinc/18/65/69/950186569.db2.gz BAGAXGDDYLVFPV-MEDUHNTESA-N 1 0 384.419 1.051 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573844319 950188077 /nfs/dbraw/zinc/18/80/77/950188077.db2.gz FQZFADZXWJLYIA-OAHLLOKOSA-N 1 0 389.504 1.842 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1nccs1 ZINC001575900260 950194958 /nfs/dbraw/zinc/19/49/58/950194958.db2.gz CWQHIGDTSNSBEX-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1ccncc1 ZINC001574497641 950234112 /nfs/dbraw/zinc/23/41/12/950234112.db2.gz ALBXACJNCABYMT-CYBMUJFWSA-N 1 0 378.440 1.333 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574741098 950236024 /nfs/dbraw/zinc/23/60/24/950236024.db2.gz GOLFUJYRKORBBT-RDBSUJKOSA-N 1 0 389.479 1.995 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccncn1 ZINC001575901625 950237667 /nfs/dbraw/zinc/23/76/67/950237667.db2.gz PCIQZGXVBUZPCJ-XHDPSFHLSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1ccc[nH]1 ZINC001575901695 950238511 /nfs/dbraw/zinc/23/85/11/950238511.db2.gz PWGBKFMKFROYLL-SJCJKPOMSA-N 1 0 383.431 1.656 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)COCC1CC1 ZINC001575901833 950241836 /nfs/dbraw/zinc/24/18/36/950241836.db2.gz QLRWPEFOVUOQPJ-YVEFUNNKSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc[nH]n2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576192520 950250804 /nfs/dbraw/zinc/25/08/04/950250804.db2.gz PAYGDRSQKNBKOE-BBRMVZONSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574984231 950259885 /nfs/dbraw/zinc/25/98/85/950259885.db2.gz WUBCHZFFSYXBMW-JTQLQIEISA-N 1 0 388.501 1.857 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576192741 950261189 /nfs/dbraw/zinc/26/11/89/950261189.db2.gz QPURLYYXMRNRPG-OWYFMNJBSA-N 1 0 381.484 1.626 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cscn1 ZINC001575902898 950272466 /nfs/dbraw/zinc/27/24/66/950272466.db2.gz XXUGZWUOPUCBHA-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C[NH2+]Cc1cscn1 ZINC001576192965 950277166 /nfs/dbraw/zinc/27/71/66/950277166.db2.gz RVSBPEIQFDXDSD-DGCLKSJQSA-N 1 0 386.485 1.539 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001574498829 950283627 /nfs/dbraw/zinc/28/36/27/950283627.db2.gz PZORIFUEKSLHKP-NHYWBVRUSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)C1CC1 ZINC001574498688 950284879 /nfs/dbraw/zinc/28/48/79/950284879.db2.gz PRHPCUXNECEONK-ZDUSSCGKSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccsn1 ZINC001575905795 950303096 /nfs/dbraw/zinc/30/30/96/950303096.db2.gz FPKHSRSIPFEGOH-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccncn1 ZINC001575905787 950303924 /nfs/dbraw/zinc/30/39/24/950303924.db2.gz FMBXTMGDYQOIFH-NHYWBVRUSA-N 1 0 382.403 1.189 20 0 GDADRO CC(C)C[C@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574159358 950305147 /nfs/dbraw/zinc/30/51/47/950305147.db2.gz GCQYITIHPRIIHI-CJNGLKHVSA-N 1 0 389.508 1.186 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C2CC2)C1 ZINC001576193938 950320763 /nfs/dbraw/zinc/32/07/63/950320763.db2.gz WOXTVRMCDAOOAC-DYVFJYSZSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ccc(F)cn1 ZINC001575906922 950322145 /nfs/dbraw/zinc/32/21/45/950322145.db2.gz KPZOOICXJQQSGV-ZWNOBZJWSA-N 1 0 387.444 1.855 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](CO)([NH2+]Cc2cc(-c3nn[nH]n3)ccn2)C1 ZINC001573853722 950331647 /nfs/dbraw/zinc/33/16/47/950331647.db2.gz UQNLVSIMWVGYRM-GOSISDBHSA-N 1 0 389.460 1.113 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cccnc1 ZINC001575907743 950343895 /nfs/dbraw/zinc/34/38/95/950343895.db2.gz QBJGAHUJJIPMDQ-YVEFUNNKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001576194376 950345007 /nfs/dbraw/zinc/34/50/07/950345007.db2.gz ZPVYIBWSWZQXQG-CZUORRHYSA-N 1 0 387.488 1.309 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)cc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575907960 950346673 /nfs/dbraw/zinc/34/66/73/950346673.db2.gz RZRDPAZLYKKRIF-BMIGLBTASA-N 1 0 387.394 1.866 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@H](C)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574744836 950369835 /nfs/dbraw/zinc/36/98/35/950369835.db2.gz CBYQSEHKDBWOKK-CYBMUJFWSA-N 1 0 382.472 1.964 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCn1ccnc1 ZINC001575908869 950382922 /nfs/dbraw/zinc/38/29/22/950382922.db2.gz WOBLBCVZWUHFTH-JSGCOSHPSA-N 1 0 386.485 1.294 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575597029 950397704 /nfs/dbraw/zinc/39/77/04/950397704.db2.gz LHQKBPQWNZFHNY-VEVIJQCQSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC001574991322 950399582 /nfs/dbraw/zinc/39/95/82/950399582.db2.gz KCUDBNCODIPPCT-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576198352 950405139 /nfs/dbraw/zinc/40/51/39/950405139.db2.gz SDWPGGJUVQNPRQ-KBPBESRZSA-N 1 0 387.463 1.751 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001576198473 950407394 /nfs/dbraw/zinc/40/73/94/950407394.db2.gz TVRDTPICVKKKNM-CQSZACIVSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001574747474 950411158 /nfs/dbraw/zinc/41/11/58/950411158.db2.gz SRCFFBOPEDTLJP-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575910598 950420463 /nfs/dbraw/zinc/42/04/63/950420463.db2.gz MBYBWNQBPYDCJY-MLGOLLRUSA-N 1 0 392.467 1.860 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574747885 950421477 /nfs/dbraw/zinc/42/14/77/950421477.db2.gz ZPGSEZURQOFFCJ-SNVBAGLBSA-N 1 0 390.398 1.778 20 0 GDADRO CC(C)CC1(C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC1 ZINC001574165505 950445166 /nfs/dbraw/zinc/44/51/66/950445166.db2.gz FLYQUGVGCLHWPT-QGZVFWFLSA-N 1 0 386.500 1.650 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cncs1 ZINC001575911731 950450099 /nfs/dbraw/zinc/45/00/99/950450099.db2.gz PPRTXAAMPDLJRR-BLLLJJGKSA-N 1 0 383.481 1.645 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204662 950468674 /nfs/dbraw/zinc/46/86/74/950468674.db2.gz RBTKOWPLXIJTDI-BBRMVZONSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576204846 950480425 /nfs/dbraw/zinc/48/04/25/950480425.db2.gz CXZYAFFZFPZBOJ-CZUORRHYSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cccn1 ZINC001574508666 950480840 /nfs/dbraw/zinc/48/08/40/950480840.db2.gz LMQPNZDGHQOCBN-ZDUSSCGKSA-N 1 0 386.435 1.402 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001574994485 950484540 /nfs/dbraw/zinc/48/45/40/950484540.db2.gz RXQPSEPBUBAPMA-OTYXRUKQSA-N 1 0 387.394 1.868 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001576204957 950487001 /nfs/dbraw/zinc/48/70/01/950487001.db2.gz SUQRMHATLBSBAQ-CABCVRRESA-N 1 0 386.504 1.689 20 0 GDADRO C[C@@H](CN(C)c1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576205096 950498472 /nfs/dbraw/zinc/49/84/72/950498472.db2.gz UANIQAKOWZUJJC-RYUDHWBXSA-N 1 0 392.895 1.198 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCn1cccc1 ZINC001575914701 950501338 /nfs/dbraw/zinc/50/13/38/950501338.db2.gz VOEIKNRSVYRLRY-YJBOKZPZSA-N 1 0 379.468 1.838 20 0 GDADRO CC(C)(C)OCC(=O)N1CCCC[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573866527 950505837 /nfs/dbraw/zinc/50/58/37/950505837.db2.gz GHMHXENMKIPDDO-AWEZNQCLSA-N 1 0 387.488 1.682 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cnccn1 ZINC001575915380 950510792 /nfs/dbraw/zinc/51/07/92/950510792.db2.gz WYGVSTISEYJABA-KBXCAEBGSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001574996431 950529475 /nfs/dbraw/zinc/52/94/75/950529475.db2.gz NKMTZJZPZFDKLY-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cccc2c1CCOC2 ZINC001574997330 950544342 /nfs/dbraw/zinc/54/43/42/950544342.db2.gz TYGZSGFYYYBGMV-LBPRGKRZSA-N 1 0 381.440 1.176 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001574753919 950551250 /nfs/dbraw/zinc/55/12/50/950551250.db2.gz HTQLJZRVSJWESO-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574999081 950569732 /nfs/dbraw/zinc/56/97/32/950569732.db2.gz FVOFTTDVCTZEDK-LBPRGKRZSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001574754609 950578868 /nfs/dbraw/zinc/57/88/68/950578868.db2.gz NNUDGKNLHJSSQW-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575917591 950582761 /nfs/dbraw/zinc/58/27/61/950582761.db2.gz ZJHWPQOLTJNAAQ-HOCLYGCPSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(F)F)ncn1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575000007 950591328 /nfs/dbraw/zinc/59/13/28/950591328.db2.gz ODASOHYKXUCVJQ-SECBINFHSA-N 1 0 389.370 1.244 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(=O)[nH]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574755752 950595239 /nfs/dbraw/zinc/59/52/39/950595239.db2.gz VFPISDOHLMYJAA-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001573870913 950604412 /nfs/dbraw/zinc/60/44/12/950604412.db2.gz ZTSOAYBOHXROJN-DOTOQJQBSA-N 1 0 384.484 1.715 20 0 GDADRO C[C@H]1[C@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)CCC[NH+](C)C ZINC001575919094 950605299 /nfs/dbraw/zinc/60/52/99/950605299.db2.gz GFYUHBSXCBZYFF-GXTWGEPZSA-N 1 0 375.452 1.749 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573873620 950654100 /nfs/dbraw/zinc/65/41/00/950654100.db2.gz UYHOWDSYUPLADT-ZACQAIPSSA-N 1 0 384.484 1.903 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccc1 ZINC001574518934 950664280 /nfs/dbraw/zinc/66/42/80/950664280.db2.gz SALSYCIJBUZVAO-QKUWSGOFSA-N 1 0 391.479 1.866 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925193 950679763 /nfs/dbraw/zinc/67/97/63/950679763.db2.gz GPASDOHIRFTCKB-BXUZGUMPSA-N 1 0 391.439 1.066 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574760800 950680937 /nfs/dbraw/zinc/68/09/37/950680937.db2.gz LGAPFQHBWMJJBJ-GFCCVEGCSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCCO1 ZINC001574519968 950704124 /nfs/dbraw/zinc/70/41/24/950704124.db2.gz YWXJBDYSVSPXQX-NKGKWGDASA-N 1 0 384.484 1.809 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnc2n1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574763459 950713979 /nfs/dbraw/zinc/71/39/79/950713979.db2.gz BJQFTEBTSVUVIV-LLVKDONJSA-N 1 0 386.485 1.321 20 0 GDADRO C[C@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574763765 950730081 /nfs/dbraw/zinc/73/00/81/950730081.db2.gz KETNLJLSWSMZDJ-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO CC1(C)CC(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575629372 950735740 /nfs/dbraw/zinc/73/57/40/950735740.db2.gz NJUWHYJJHLPVKX-ZDUSSCGKSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(N(C)C)cc1 ZINC001575927111 950736086 /nfs/dbraw/zinc/73/60/86/950736086.db2.gz NMJUUAZXKPROCD-DYVFJYSZSA-N 1 0 392.467 1.465 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncc1 ZINC001575927762 950755361 /nfs/dbraw/zinc/75/53/61/950755361.db2.gz UBENQMPKKWEMPN-CJNGLKHVSA-N 1 0 378.440 1.113 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1ccon1 ZINC001574521515 950779369 /nfs/dbraw/zinc/77/93/69/950779369.db2.gz GLGUFTOERJVIEM-VXGBXAGGSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574765353 950787267 /nfs/dbraw/zinc/78/72/67/950787267.db2.gz CGHQMKKCCXLKJM-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001575929914 950792021 /nfs/dbraw/zinc/79/20/21/950792021.db2.gz CVKCEBRKXZCTRM-GWCFXTLKSA-N 1 0 378.868 1.268 20 0 GDADRO CC1(C)CC(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001575632181 950792531 /nfs/dbraw/zinc/79/25/31/950792531.db2.gz DCSMGFBODPMGBE-IAGOWNOFSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCc1ccon1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574523141 950809464 /nfs/dbraw/zinc/80/94/64/950809464.db2.gz MHPWBTIIOGEVEA-KGLIPLIRSA-N 1 0 383.456 1.860 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CCOc1cccc(F)c1 ZINC001575010650 950834227 /nfs/dbraw/zinc/83/42/27/950834227.db2.gz HTSHMICUMCCJKM-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576220595 950836509 /nfs/dbraw/zinc/83/65/09/950836509.db2.gz RPRIEZCSURRABA-YPMHNXCESA-N 1 0 378.427 1.938 20 0 GDADRO CC(C)CCCC(=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574188651 950853262 /nfs/dbraw/zinc/85/32/62/950853262.db2.gz YPZKPSPACFXBJR-OAHLLOKOSA-N 1 0 387.488 1.539 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCc1cn[nH]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574524363 950856651 /nfs/dbraw/zinc/85/66/51/950856651.db2.gz VWXSZOFQGSMMNL-NEPJUHHUSA-N 1 0 388.501 1.657 20 0 GDADRO C[C@@H](CN(C)C(=O)c1nccs1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574767577 950860144 /nfs/dbraw/zinc/86/01/44/950860144.db2.gz RVVUMRZPURDVEI-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1ccnc1 ZINC001574524654 950868939 /nfs/dbraw/zinc/86/89/39/950868939.db2.gz YEEKQKKDIHDXIF-QWHCGFSZSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574767826 950870929 /nfs/dbraw/zinc/87/09/29/950870929.db2.gz QTNPOSJYHKJTMJ-SNVBAGLBSA-N 1 0 384.469 1.590 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ncccc1O)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574527493 950889633 /nfs/dbraw/zinc/88/96/33/950889633.db2.gz CMYQEOIDBCDJMY-OLZOCXBDSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cn(C)cn1 ZINC001574527603 950897834 /nfs/dbraw/zinc/89/78/34/950897834.db2.gz DURZXXSWTHWLLL-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cn(C)cn1 ZINC001574527650 950901101 /nfs/dbraw/zinc/90/11/01/950901101.db2.gz FKVKPNIRIDAWRT-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576227463 950910854 /nfs/dbraw/zinc/91/08/54/950910854.db2.gz CWLPCDNJGNYRSY-BBRMVZONSA-N 1 0 388.447 1.322 20 0 GDADRO CC(C)(C)n1cc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 ZINC001573893913 950912106 /nfs/dbraw/zinc/91/21/06/950912106.db2.gz BYOXWAYEDQXRHH-CYBMUJFWSA-N 1 0 383.460 1.151 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cn(C)cn1 ZINC001574527881 950914207 /nfs/dbraw/zinc/91/42/07/950914207.db2.gz IHLYHRCMKHLGGL-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ncccc1O ZINC001574527995 950920586 /nfs/dbraw/zinc/92/05/86/950920586.db2.gz JNFPVKQZSYWPFB-WDEREUQCSA-N 1 0 387.469 1.716 20 0 GDADRO CC1(C)C[C@@H](NC(=O)[C@H]2CCCO2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575642006 950931633 /nfs/dbraw/zinc/93/16/33/950931633.db2.gz SLOLSZIGRSPJJJ-XJKSGUPXSA-N 1 0 385.472 1.552 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cnns1 ZINC001574528421 950932897 /nfs/dbraw/zinc/93/28/97/950932897.db2.gz MNQIOEOVGBRMHQ-NXEZZACHSA-N 1 0 390.448 1.544 20 0 GDADRO CC(C)(CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573895457 950935667 /nfs/dbraw/zinc/93/56/67/950935667.db2.gz BKOMTNDCCIYFPM-OAHLLOKOSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574771830 950940571 /nfs/dbraw/zinc/94/05/71/950940571.db2.gz KYVOVNLMPIDBND-CQSZACIVSA-N 1 0 389.504 1.984 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccn(C)n1 ZINC001574529420 950952801 /nfs/dbraw/zinc/95/28/01/950952801.db2.gz QRMFKLPELJNZHY-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)(CC(=O)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001573897474 950961886 /nfs/dbraw/zinc/96/18/86/950961886.db2.gz QDTQHYZXTCSJQB-CQSZACIVSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCOC1 ZINC001574772185 950963781 /nfs/dbraw/zinc/96/37/81/950963781.db2.gz QSXBYVSIJQXORQ-STQMWFEESA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001575017026 950971584 /nfs/dbraw/zinc/97/15/84/950971584.db2.gz GGSXVTNUASUNSN-KGLIPLIRSA-N 1 0 379.468 1.708 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574530810 950999091 /nfs/dbraw/zinc/99/90/91/950999091.db2.gz XLCDRCKMQREMIB-NXEZZACHSA-N 1 0 390.473 1.054 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574530811 950999669 /nfs/dbraw/zinc/99/96/69/950999669.db2.gz XLCDRCKMQREMIB-UWVGGRQHSA-N 1 0 390.473 1.054 20 0 GDADRO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576230413 951007142 /nfs/dbraw/zinc/00/71/42/951007142.db2.gz RARREAIVVZTLTO-MLGOLLRUSA-N 1 0 387.463 1.606 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Cl)[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575022161 951069942 /nfs/dbraw/zinc/06/99/42/951069942.db2.gz IBGJAFYGLRXIJS-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2n[nH]nc2c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024718 951111506 /nfs/dbraw/zinc/11/15/06/951111506.db2.gz LDWYZZDSMCVKQU-LBPRGKRZSA-N 1 0 391.439 1.388 20 0 GDADRO C[C@H](CNC(=O)c1ccc(F)cc1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575024841 951118476 /nfs/dbraw/zinc/11/84/76/951118476.db2.gz NPVHBIVANDGDQP-SECBINFHSA-N 1 0 375.795 1.707 20 0 GDADRO C[C@H](CNC(=O)c1ccc(F)cn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575025502 951132863 /nfs/dbraw/zinc/13/28/63/951132863.db2.gz ZWXSHVNTFABLCH-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1cccc2ncn(C)c21)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575028166 951170019 /nfs/dbraw/zinc/17/00/19/951170019.db2.gz LVXVLHYNBCOBIZ-GFCCVEGCSA-N 1 0 391.439 1.403 20 0 GDADRO C[C@@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575034444 951248307 /nfs/dbraw/zinc/24/83/07/951248307.db2.gz NDMUGIGUXWFVDI-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575042187 951356346 /nfs/dbraw/zinc/35/63/46/951356346.db2.gz GXSQDQXLHWAIPU-LBPRGKRZSA-N 1 0 381.444 1.091 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044927 951420725 /nfs/dbraw/zinc/42/07/25/951420725.db2.gz XQPCVPJANCMGMK-SNVBAGLBSA-N 1 0 386.485 1.668 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)o1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575044925 951420901 /nfs/dbraw/zinc/42/09/01/951420901.db2.gz XOXVQUABWNWAMV-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575046237 951436986 /nfs/dbraw/zinc/43/69/86/951436986.db2.gz LQRSAUXSJIJZII-ZDUSSCGKSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)c1cncnc1C1CC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575047023 951453193 /nfs/dbraw/zinc/45/31/93/951453193.db2.gz XLCKAFRZWHVIPH-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1Cl)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575052157 951459423 /nfs/dbraw/zinc/45/94/23/951459423.db2.gz FCEXJOWOXBWTJJ-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C2CC2)n1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575057875 951533033 /nfs/dbraw/zinc/53/30/33/951533033.db2.gz SGAJYDZQEFAVJM-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1F)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575066110 951592175 /nfs/dbraw/zinc/59/21/75/951592175.db2.gz FLRLXYNLHBJOFX-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)c1onc2c1CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575068976 951640735 /nfs/dbraw/zinc/64/07/35/951640735.db2.gz FFPBTXLHJAVFMC-LBPRGKRZSA-N 1 0 381.440 1.642 20 0 GDADRO C[C@@H](CNC(=O)c1snnc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575069842 951647156 /nfs/dbraw/zinc/64/71/56/951647156.db2.gz LXAANFPHMDRNRH-QMMMGPOBSA-N 1 0 390.498 1.565 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575070381 951651034 /nfs/dbraw/zinc/65/10/34/951651034.db2.gz POSGANUYEREJLG-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575078282 951680054 /nfs/dbraw/zinc/68/00/54/951680054.db2.gz LGNPEFLIHWYETO-BBRMVZONSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC001575078484 951681846 /nfs/dbraw/zinc/68/18/46/951681846.db2.gz MCEJPCBFAYMGNO-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001575078971 951685549 /nfs/dbraw/zinc/68/55/49/951685549.db2.gz BUFKACVBFGGDAZ-VIFPVBQESA-N 1 0 391.432 1.418 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H](C)n1cccn1 ZINC001575079580 951695024 /nfs/dbraw/zinc/69/50/24/951695024.db2.gz RQOROJQRLOOZSB-CHWSQXEVSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@@H](O)c1ccccc1F ZINC001575079760 951695896 /nfs/dbraw/zinc/69/58/96/951695896.db2.gz OMHTYTJILJIQLB-MEDUHNTESA-N 1 0 387.419 1.023 20 0 GDADRO C[C@@H](CNC(=O)CC1OCCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079964 951700811 /nfs/dbraw/zinc/70/08/11/951700811.db2.gz UHUTWUDWMHUTOM-GFCCVEGCSA-N 1 0 392.435 1.001 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079958 951701132 /nfs/dbraw/zinc/70/11/32/951701132.db2.gz UFGKAZMZYNASJL-QWHCGFSZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCc1cn[nH]c1 ZINC001575079935 951701511 /nfs/dbraw/zinc/70/15/11/951701511.db2.gz TVTCUWHSJUSRPC-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080052 951701862 /nfs/dbraw/zinc/70/18/62/951701862.db2.gz JWESABVSIXIPQE-CYBMUJFWSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@H](C[NH2+]C[C@@H](O)C1CCCCC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575080188 951705800 /nfs/dbraw/zinc/70/58/00/951705800.db2.gz PKBCBMCTYCUZRK-MLGOLLRUSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080387 951708607 /nfs/dbraw/zinc/70/86/07/951708607.db2.gz KSIIAFLPBUAAHK-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cc1cccnc1 ZINC001575080445 951709822 /nfs/dbraw/zinc/70/98/22/951709822.db2.gz MALHWBNUNRSTRE-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)c1ncc[nH]1)C1CC1 ZINC001575080933 951717907 /nfs/dbraw/zinc/71/79/07/951717907.db2.gz SRTVNIQCFCPOFD-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@@H](CNC(=O)COC(C)(C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081160 951719694 /nfs/dbraw/zinc/71/96/94/951719694.db2.gz OYZVKZODADTIJF-GFCCVEGCSA-N 1 0 378.452 1.663 20 0 GDADRO C[C@@](C[NH2+]CC1CC(F)(F)C1)(NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001575081360 951721328 /nfs/dbraw/zinc/72/13/28/951721328.db2.gz UAYIMCVXDNXCCN-INIZCTEOSA-N 1 0 379.415 1.728 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088669 951742018 /nfs/dbraw/zinc/74/20/18/951742018.db2.gz ADSGILQYCFWZMT-CZUORRHYSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1ccnnc1)C1CC1 ZINC001575088956 951743967 /nfs/dbraw/zinc/74/39/67/951743967.db2.gz DHJOUYQTQOKQBJ-LJQANCHMSA-N 1 0 378.440 1.345 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089331 951747939 /nfs/dbraw/zinc/74/79/39/951747939.db2.gz GDUJDCQEIAFHKM-MDASCCDHSA-N 1 0 391.479 1.907 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cc(F)c[nH]1 ZINC001575090626 951761588 /nfs/dbraw/zinc/76/15/88/951761588.db2.gz KWISZURWOUEPRI-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CNC(=O)Cc1ncccc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090994 951766491 /nfs/dbraw/zinc/76/64/91/951766491.db2.gz MQKBTEFFWPPWAG-ZDUSSCGKSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001575092165 951790076 /nfs/dbraw/zinc/79/00/76/951790076.db2.gz ANVPRTUNMLFXJZ-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)n(C)n1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092962 951796152 /nfs/dbraw/zinc/79/61/52/951796152.db2.gz GIYKGSDSOURRKB-NSHDSACASA-N 1 0 388.863 1.409 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575095116 951810008 /nfs/dbraw/zinc/81/00/08/951810008.db2.gz RWBGGAFNKSDMMW-AUUYWEPGSA-N 1 0 392.463 1.807 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cccn2nccc12 ZINC001575095463 951811476 /nfs/dbraw/zinc/81/14/76/951811476.db2.gz UHANLAATNSJXRH-AWEZNQCLSA-N 1 0 390.451 1.765 20 0 GDADRO C[C@H](CNC(=O)C[C@H](C)n1cccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099010 951827106 /nfs/dbraw/zinc/82/71/06/951827106.db2.gz HBFNPSSDBJQNIT-STQMWFEESA-N 1 0 388.501 1.618 20 0 GDADRO C[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cnn(C)c1 ZINC001575099004 951828507 /nfs/dbraw/zinc/82/85/07/951828507.db2.gz GVGOMKKFXYGQAJ-VXGBXAGGSA-N 1 0 388.501 1.307 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)c1cncnc1)C1CC1 ZINC001575099419 951834354 /nfs/dbraw/zinc/83/43/54/951834354.db2.gz LPQMGVJNBZXQDG-QGZVFWFLSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100236 951843974 /nfs/dbraw/zinc/84/39/74/951843974.db2.gz SFBJYMGTADMQSB-JTQLQIEISA-N 1 0 386.485 1.296 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101155 951853681 /nfs/dbraw/zinc/85/36/81/951853681.db2.gz ALAQQYVDAIMNSO-JSGCOSHPSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCCCO1 ZINC001575101547 951861937 /nfs/dbraw/zinc/86/19/37/951861937.db2.gz HAXTVXCAPIZMJQ-WBMJQRKESA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CCn1cccc1 ZINC001575104024 951880423 /nfs/dbraw/zinc/88/04/23/951880423.db2.gz AXLFFVVAAQPLNT-CQSZACIVSA-N 1 0 385.447 1.834 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CCc1ccon1 ZINC001575104076 951882728 /nfs/dbraw/zinc/88/27/28/951882728.db2.gz BCWNVEOOADVIAH-GFCCVEGCSA-N 1 0 387.419 1.563 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001575105175 951891187 /nfs/dbraw/zinc/89/11/87/951891187.db2.gz HLMACEGTMQLGKW-FQEVSTJZSA-N 1 0 382.468 1.588 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccccn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105216 951891609 /nfs/dbraw/zinc/89/16/09/951891609.db2.gz IBIHANFADXXNJT-OAHLLOKOSA-N 1 0 379.468 1.736 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001575106189 951902954 /nfs/dbraw/zinc/90/29/54/951902954.db2.gz QUOOKCNRVLXTOZ-DZGCQCFKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1ccnnc1)C1CC1 ZINC001575106566 951905565 /nfs/dbraw/zinc/90/55/65/951905565.db2.gz SHHJYJDZKWJBGG-LJQANCHMSA-N 1 0 378.440 1.345 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108873 951928399 /nfs/dbraw/zinc/92/83/99/951928399.db2.gz OODYVLFXFGJHSJ-LBPRGKRZSA-N 1 0 380.456 1.234 20 0 GDADRO C[C@H](CNC(=O)CCc1cncs1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113705 951942966 /nfs/dbraw/zinc/94/29/66/951942966.db2.gz DIMKNXNBKOWSJI-ZDUSSCGKSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@H](CNC(=O)CCc1cncnc1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113706 951943549 /nfs/dbraw/zinc/94/35/49/951943549.db2.gz DIXOHFDGLPNLPD-AWEZNQCLSA-N 1 0 380.456 1.131 20 0 GDADRO C[C@H](CNC(=O)c1ccc2[nH]ccc2n1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113798 951946432 /nfs/dbraw/zinc/94/64/32/951946432.db2.gz GGOMCBRHQQRAEP-ZDUSSCGKSA-N 1 0 390.451 1.899 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001575114598 951959547 /nfs/dbraw/zinc/95/95/47/951959547.db2.gz QSUKFPNPHGQMRT-UZLBHIALSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncn1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114802 951960504 /nfs/dbraw/zinc/96/05/04/951960504.db2.gz TZKOJZSUFUIGNV-CQSZACIVSA-N 1 0 380.456 1.131 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575146397 952193803 /nfs/dbraw/zinc/19/38/03/952193803.db2.gz KBGQLRAZFIRHSY-SNVBAGLBSA-N 1 0 384.469 1.590 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001575163556 952280455 /nfs/dbraw/zinc/28/04/55/952280455.db2.gz DCDIZRQLTHAEBF-FZMZJTMJSA-N 1 0 376.440 1.144 20 0 GDADRO C[C@H](CNc1nccnc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575173930 952359057 /nfs/dbraw/zinc/35/90/57/952359057.db2.gz CYGCEJNDMFGPDC-CYBMUJFWSA-N 1 0 387.492 1.180 20 0 GDADRO O=C([C@@H]1CC1(F)F)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571115025 952462565 /nfs/dbraw/zinc/46/25/65/952462565.db2.gz QHWXKDNKDDKRFA-LRDDRELGSA-N 1 0 375.383 1.346 20 0 GDADRO C[C@@H]1CC2(CN1C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CC[NH+](CCCF)CC2 ZINC001571117319 952480282 /nfs/dbraw/zinc/48/02/82/952480282.db2.gz JFSMDSUAOJQSOO-CYBMUJFWSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@H]1CC2(CN1C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CC[NH+](CCCF)CC2 ZINC001571117320 952480857 /nfs/dbraw/zinc/48/08/57/952480857.db2.gz JFSMDSUAOJQSOO-ZDUSSCGKSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001575197664 952486662 /nfs/dbraw/zinc/48/66/62/952486662.db2.gz YOZGROQNIHUARU-ZDUSSCGKSA-N 1 0 381.440 1.606 20 0 GDADRO C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575199184 952487190 /nfs/dbraw/zinc/48/71/90/952487190.db2.gz ANCDGVYPXMRBFJ-AWEZNQCLSA-N 1 0 382.472 1.027 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575201068 952501291 /nfs/dbraw/zinc/50/12/91/952501291.db2.gz NFOUMPKWKDOVOA-ZDUSSCGKSA-N 1 0 380.456 1.017 20 0 GDADRO O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccnc(C2CC2)c1 ZINC001571120908 952511823 /nfs/dbraw/zinc/51/18/23/952511823.db2.gz TYLZZOWGZVEDKE-OKILXGFUSA-N 1 0 376.424 1.329 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC(F)(F)C1 ZINC001571121126 952514858 /nfs/dbraw/zinc/51/48/58/952514858.db2.gz WUUWGYJKTQDKSS-OAHLLOKOSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575203430 952521978 /nfs/dbraw/zinc/52/19/78/952521978.db2.gz WTMYLVTYBAWAFK-DZGCQCFKSA-N 1 0 380.456 1.159 20 0 GDADRO CC[C@@H](C(=O)N1CC[C@@H](CNc2ncc(-c3nn[nH]n3)cc2F)C1)[NH+](C)C ZINC001571122303 952525533 /nfs/dbraw/zinc/52/55/33/952525533.db2.gz IKNGYBBHEPYQHG-FZMZJTMJSA-N 1 0 376.440 1.001 20 0 GDADRO COCC(=O)N1CCC2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001571122788 952526223 /nfs/dbraw/zinc/52/62/23/952526223.db2.gz LEXWOSSMZREZSX-UHFFFAOYSA-N 1 0 376.486 1.389 20 0 GDADRO C[C@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571123132 952529630 /nfs/dbraw/zinc/52/96/30/952529630.db2.gz PYEXGEDMQJFUDV-BYNQJWBRSA-N 1 0 376.486 1.338 20 0 GDADRO CC(F)(F)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001575206646 952530815 /nfs/dbraw/zinc/53/08/15/952530815.db2.gz KSCXZLMHYFGWSZ-GOSISDBHSA-N 1 0 376.411 1.946 20 0 GDADRO O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1nc(Cl)cs1 ZINC001571123829 952531783 /nfs/dbraw/zinc/53/17/83/952531783.db2.gz WOAVUULHRHAPET-OCAPTIKFSA-N 1 0 376.833 1.166 20 0 GDADRO CO[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571123702 952532732 /nfs/dbraw/zinc/53/27/32/952532732.db2.gz UMYYOIGJWOSHPR-QWHCGFSZSA-N 1 0 376.436 1.321 20 0 GDADRO Cn1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@@H]3C2)c1 ZINC001571127856 952560991 /nfs/dbraw/zinc/56/09/91/952560991.db2.gz KRZIMIZKPYIXOL-HDICACEKSA-N 1 0 377.452 1.409 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001571128418 952567368 /nfs/dbraw/zinc/56/73/68/952567368.db2.gz SZJXODOBXTVJDJ-CXAGYDPISA-N 1 0 377.452 1.934 20 0 GDADRO Cc1ccc(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571128594 952568219 /nfs/dbraw/zinc/56/82/19/952568219.db2.gz UZTMYMMOJICMRD-KRWDZBQOSA-N 1 0 377.452 1.503 20 0 GDADRO Cc1cnccc1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571128963 952572474 /nfs/dbraw/zinc/57/24/74/952572474.db2.gz ZRETXYBNDSJDMT-GOSISDBHSA-N 1 0 377.452 1.503 20 0 GDADRO CCc1cccnc1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571134240 952587133 /nfs/dbraw/zinc/58/71/33/952587133.db2.gz CXDGHYSICRXAHP-MQMHXKEQSA-N 1 0 378.440 1.262 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cccnn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571134343 952590003 /nfs/dbraw/zinc/59/00/03/952590003.db2.gz DLFZCUNCNBIXAK-CZUORRHYSA-N 1 0 378.440 1.440 20 0 GDADRO Cc1ccncc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001571134460 952590809 /nfs/dbraw/zinc/59/08/09/952590809.db2.gz IJQCLQOJWOHKQD-SUMWQHHRSA-N 1 0 378.440 1.245 20 0 GDADRO Cc1cnc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571134546 952591666 /nfs/dbraw/zinc/59/16/66/952591666.db2.gz KWLOMNUTJJETJE-KOMQPUFPSA-N 1 0 378.440 1.263 20 0 GDADRO C[C@@H]1CN(C(=O)c2ncccn2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571134767 952595314 /nfs/dbraw/zinc/59/53/14/952595314.db2.gz LHYFYPMEITVNOF-CZUORRHYSA-N 1 0 378.440 1.297 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cncnc2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135570 952605568 /nfs/dbraw/zinc/60/55/68/952605568.db2.gz XFMILKGEMUIUNJ-DYVFJYSZSA-N 1 0 378.440 1.440 20 0 GDADRO O=C(Cc1ccoc1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571136382 952614401 /nfs/dbraw/zinc/61/44/01/952614401.db2.gz OYHMWVHFDUVAKH-SQNIBIBYSA-N 1 0 378.436 1.924 20 0 GDADRO CCOc1ccccc1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571141289 952632572 /nfs/dbraw/zinc/63/25/72/952632572.db2.gz JOXGEMDBUPPSOX-JOCQHMNTSA-N 1 0 379.424 1.455 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1ccncn1 ZINC001571142321 952640243 /nfs/dbraw/zinc/64/02/43/952640243.db2.gz OYRSJPONRXHYIQ-LSDHHAIUSA-N 1 0 378.440 1.488 20 0 GDADRO CCC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571142804 952645786 /nfs/dbraw/zinc/64/57/86/952645786.db2.gz ZFZPCDREEDSFCM-GFCCVEGCSA-N 1 0 378.502 1.681 20 0 GDADRO O=C(c1cn[nH]c1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571142800 952645885 /nfs/dbraw/zinc/64/58/85/952645885.db2.gz ZDBTWHBPFFOQBU-IRXDYDNUSA-N 1 0 378.440 1.469 20 0 GDADRO Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1C ZINC001571151651 952676838 /nfs/dbraw/zinc/67/68/38/952676838.db2.gz SSZNQFIDIJXPSK-SUMWQHHRSA-N 1 0 379.468 1.764 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571166007 952757343 /nfs/dbraw/zinc/75/73/43/952757343.db2.gz JZPSUQNBIYDOMV-WMLDXEAASA-N 1 0 380.456 1.233 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)c2ccnn2C)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571166256 952759813 /nfs/dbraw/zinc/75/98/13/952759813.db2.gz KUGOLHKXXOIZRV-DZGCQCFKSA-N 1 0 380.456 1.383 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001571166381 952760756 /nfs/dbraw/zinc/76/07/56/952760756.db2.gz LYUMERVIRBVSTJ-PBHICJAKSA-N 1 0 380.456 1.405 20 0 GDADRO O=C(Cc1ccccc1)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571166727 952764438 /nfs/dbraw/zinc/76/44/38/952764438.db2.gz PDNZARGTPYEQLT-KRWDZBQOSA-N 1 0 380.427 1.939 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001571166900 952766647 /nfs/dbraw/zinc/76/66/47/952766647.db2.gz RJBFDAMWBBDKMM-DYVFJYSZSA-N 1 0 380.456 1.094 20 0 GDADRO C[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167074 952769248 /nfs/dbraw/zinc/76/92/48/952769248.db2.gz VAMUZSMCZTXPGF-BBRMVZONSA-N 1 0 380.456 1.098 20 0 GDADRO CC(C)n1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571167228 952771071 /nfs/dbraw/zinc/77/10/71/952771071.db2.gz ZDIDZBOFZQZIRR-HNNXBMFYSA-N 1 0 380.456 1.648 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC001571169433 952773936 /nfs/dbraw/zinc/77/39/36/952773936.db2.gz CGDAUECLOMZFOV-OAHLLOKOSA-N 1 0 380.456 1.574 20 0 GDADRO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c(C)n1 ZINC001571169580 952776477 /nfs/dbraw/zinc/77/64/77/952776477.db2.gz GZVRQGDLIUJSIS-UHFFFAOYSA-N 1 0 380.456 1.599 20 0 GDADRO Cc1cncc(C[NH2+]C[C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571169644 952777093 /nfs/dbraw/zinc/77/70/93/952777093.db2.gz JHZVIPUFIMEMEL-CQSZACIVSA-N 1 0 380.456 1.540 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC001571169882 952780215 /nfs/dbraw/zinc/78/02/15/952780215.db2.gz PSBMOJSWOZAHHY-CZUORRHYSA-N 1 0 380.456 1.681 20 0 GDADRO CCn1cccc1C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571169916 952781016 /nfs/dbraw/zinc/78/10/16/952781016.db2.gz QJGVGKTZSNSMAB-CQSZACIVSA-N 1 0 380.456 1.530 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC001571170096 952782466 /nfs/dbraw/zinc/78/24/66/952782466.db2.gz SRVGHRCQMASNFA-BLLLJJGKSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1cccnc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571170050 952782719 /nfs/dbraw/zinc/78/27/19/952782719.db2.gz RLINKAXLRZJYBS-CQSZACIVSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1[nH]ccc1C(=O)NC[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571170905 952790915 /nfs/dbraw/zinc/79/09/15/952790915.db2.gz ZEINPGKICQFHPE-CQSZACIVSA-N 1 0 380.456 1.853 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CN1C(=O)c1ccncc1 ZINC001571178204 952836219 /nfs/dbraw/zinc/83/62/19/952836219.db2.gz BCGWABJLEDEHAU-IUODEOHRSA-N 1 0 381.415 1.794 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)ccn1 ZINC001571178419 952840712 /nfs/dbraw/zinc/84/07/12/952840712.db2.gz IBEDJIZHWMYLNE-SHTZXODSSA-N 1 0 381.415 1.760 20 0 GDADRO CCC(=O)N1C[C@@H](c2ccccc2F)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571178640 952844316 /nfs/dbraw/zinc/84/43/16/952844316.db2.gz PIDHRXSGQPKEHY-WMLDXEAASA-N 1 0 381.415 1.639 20 0 GDADRO CN(C[C@H]1CCN(C(=O)c2ccccc2F)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571178947 952850930 /nfs/dbraw/zinc/85/09/30/952850930.db2.gz YSWDQWXGDILJNY-CYBMUJFWSA-N 1 0 381.415 1.999 20 0 GDADRO Cc1ccc(CC(=O)N[C@@H]2C[C@@H](CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571179654 952855657 /nfs/dbraw/zinc/85/56/57/952855657.db2.gz IFTBOQYCLGACBE-HDJSIYSDSA-N 1 0 381.440 1.443 20 0 GDADRO Cc1cc(N2C[C@H](NC(=O)Cc3ccoc3)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180433 952858857 /nfs/dbraw/zinc/85/88/57/952858857.db2.gz OLRYQPGEIDVQLA-DZGCQCFKSA-N 1 0 381.440 1.879 20 0 GDADRO Cc1cc(NC[C@H]2CCC[C@H]2NC(=O)Cc2ccoc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180271 952859304 /nfs/dbraw/zinc/85/93/04/952859304.db2.gz OFECGVOMVLZKNH-GDBMZVCRSA-N 1 0 381.440 1.525 20 0 GDADRO Cc1nocc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571180461 952860699 /nfs/dbraw/zinc/86/06/99/952860699.db2.gz OUIQJIABSRIWGN-LRDDRELGSA-N 1 0 381.440 1.946 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)on1 ZINC001571181410 952863920 /nfs/dbraw/zinc/86/39/20/952863920.db2.gz WERLZFQMQNBLRE-CZUORRHYSA-N 1 0 381.440 1.946 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)[C@H]2C)on1 ZINC001571181408 952864366 /nfs/dbraw/zinc/86/43/66/952864366.db2.gz WERLZFQMQNBLRE-BBRMVZONSA-N 1 0 381.440 1.946 20 0 GDADRO Cc1nocc1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001571181806 952865789 /nfs/dbraw/zinc/86/57/89/952865789.db2.gz YMNNRNKCHMYLEE-PXAZEXFGSA-N 1 0 381.440 1.804 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001571182659 952867029 /nfs/dbraw/zinc/86/70/29/952867029.db2.gz AUSRSIIRKZQBIQ-NNUKFRKNSA-N 1 0 381.440 1.502 20 0 GDADRO C[C@H](NC(=O)c1cocn1)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571182784 952868342 /nfs/dbraw/zinc/86/83/42/952868342.db2.gz FRJDJLDPTUNXDA-UONOGXRCSA-N 1 0 381.440 1.885 20 0 GDADRO COc1ccc(C)cc1C[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571182932 952870786 /nfs/dbraw/zinc/87/07/86/952870786.db2.gz KBONFQIUGQBJAT-HNNXBMFYSA-N 1 0 381.440 1.516 20 0 GDADRO CCc1nc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)co1 ZINC001571183200 952875563 /nfs/dbraw/zinc/87/55/63/952875563.db2.gz SHVCMGRMFKJWER-LBPRGKRZSA-N 1 0 381.440 1.667 20 0 GDADRO CCCc1n[nH]cc1C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571183543 952880061 /nfs/dbraw/zinc/88/00/61/952880061.db2.gz DFSDVNHOKRQXOJ-GFCCVEGCSA-N 1 0 381.444 1.194 20 0 GDADRO CCc1nc[nH]c1C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571183739 952882514 /nfs/dbraw/zinc/88/25/14/952882514.db2.gz ILHZGOVMLHSCKE-GFCCVEGCSA-N 1 0 381.444 1.076 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@H]2C1 ZINC001571190305 952940528 /nfs/dbraw/zinc/94/05/28/952940528.db2.gz HEPMFKJEZYMLOO-GASCZTMLSA-N 1 0 381.484 1.779 20 0 GDADRO O=C(NC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001571191205 952945403 /nfs/dbraw/zinc/94/54/03/952945403.db2.gz OHYFIXJEVVEBPM-QZTJIDSGSA-N 1 0 381.484 1.184 20 0 GDADRO Cc1cc(N2CC[C@@H]3CN(C(=O)[C@@H]4CC4(C)C)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571192169 952947684 /nfs/dbraw/zinc/94/76/84/952947684.db2.gz SJCOKHRLSQGJQE-YCPHGPKFSA-N 1 0 381.484 1.901 20 0 GDADRO CC(F)(F)C(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571193755 952951817 /nfs/dbraw/zinc/95/18/17/952951817.db2.gz BILGXWZYVJKALN-CYBMUJFWSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H]1CCN(C(=O)C(F)F)C[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571194019 952957112 /nfs/dbraw/zinc/95/71/12/952957112.db2.gz HGDOTGFQQIURAU-JQWIXIFHSA-N 1 0 382.390 1.845 20 0 GDADRO CCc1ncoc1C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571199555 953001524 /nfs/dbraw/zinc/00/15/24/953001524.db2.gz UXVOSHQUAFIBMO-CQSZACIVSA-N 1 0 382.428 1.197 20 0 GDADRO Cc1cc(CC(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001571200565 953010562 /nfs/dbraw/zinc/01/05/62/953010562.db2.gz DTNHKJJJQSAISQ-CYBMUJFWSA-N 1 0 382.428 1.194 20 0 GDADRO O=C(c1cccnn1)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571200702 953011220 /nfs/dbraw/zinc/01/12/20/953011220.db2.gz JZWPBMNDSWEDTK-CQSZACIVSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@@H]2C)co1 ZINC001571201329 953016210 /nfs/dbraw/zinc/01/62/10/953016210.db2.gz KCKLZHMGHYECMN-WCQYABFASA-N 1 0 382.428 1.394 20 0 GDADRO CC1(C)C[N@H+](Cc2ccccc2-c2nn[nH]n2)CC[C@H]1NC(=O)c1cnon1 ZINC001571202121 953023261 /nfs/dbraw/zinc/02/32/61/953023261.db2.gz VMSMDTLLUUIKSH-OAHLLOKOSA-N 1 0 382.428 1.280 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1ccncn1 ZINC001571202459 953025659 /nfs/dbraw/zinc/02/56/59/953025659.db2.gz XOGKCWHWXZVHSI-UHFFFAOYSA-N 1 0 382.403 1.094 20 0 GDADRO Cc1cnoc1C(=O)N1CCC[C@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202740 953028081 /nfs/dbraw/zinc/02/80/81/953028081.db2.gz XRVBRRCAQULODE-OLZOCXBDSA-N 1 0 382.428 1.333 20 0 GDADRO Cc1conc1C(=O)N1CCCC[C@@H]1[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571202848 953028634 /nfs/dbraw/zinc/02/86/34/953028634.db2.gz ZNKXBDQNALTQTB-IUODEOHRSA-N 1 0 382.428 1.475 20 0 GDADRO O=C(N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnon1 ZINC001571204941 953035148 /nfs/dbraw/zinc/03/51/48/953035148.db2.gz DLJNGQPBBZSILP-CABCVRRESA-N 1 0 382.428 1.328 20 0 GDADRO Cc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 ZINC001571205327 953037041 /nfs/dbraw/zinc/03/70/41/953037041.db2.gz GXCNCGTXNGZLAN-LSDHHAIUSA-N 1 0 382.428 1.322 20 0 GDADRO Cc1cc(N2C[C@@H]3[C@@H](CNC(=O)c4ccsn4)[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571210351 953071244 /nfs/dbraw/zinc/07/12/44/953071244.db2.gz PNDMSOAABGUPIG-UOJUARBOSA-N 1 0 382.453 1.139 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC001571217395 953108137 /nfs/dbraw/zinc/10/81/37/953108137.db2.gz KPHQPCSBBVNQTD-MNOVXSKESA-N 1 0 383.378 1.445 20 0 GDADRO COc1ccc(F)cc1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571217557 953109392 /nfs/dbraw/zinc/10/93/92/953109392.db2.gz NJDXIYXTSJFAIQ-LBPRGKRZSA-N 1 0 383.387 1.158 20 0 GDADRO COc1nc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@@H](C)C2)co1 ZINC001571219332 953125170 /nfs/dbraw/zinc/12/51/70/953125170.db2.gz NUXAMZLXLHXCQZ-FZMZJTMJSA-N 1 0 383.412 1.114 20 0 GDADRO CCOc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)on1 ZINC001571219559 953126118 /nfs/dbraw/zinc/12/61/18/953126118.db2.gz PXCWSBUJEPJOJK-JOCQHMNTSA-N 1 0 383.412 1.304 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)n1cccc1 ZINC001571229781 953172262 /nfs/dbraw/zinc/17/22/62/953172262.db2.gz MZWANKVIPJVCTJ-DZGCQCFKSA-N 1 0 383.431 1.759 20 0 GDADRO C[C@H](NC(=O)c1cccn1C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571229865 953172778 /nfs/dbraw/zinc/17/27/78/953172778.db2.gz PTJIHEMQHRBQCK-LBPRGKRZSA-N 1 0 383.431 1.595 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccc1 ZINC001571230001 953173088 /nfs/dbraw/zinc/17/30/88/953173088.db2.gz QPLRPDSDQXGHGX-WQVCFCJDSA-N 1 0 383.431 1.805 20 0 GDADRO CN(C[C@@H]1CCCN(C(=O)C2=COCCC2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571230413 953176851 /nfs/dbraw/zinc/17/68/51/953176851.db2.gz CQKAWUYUJRLBJP-AWEZNQCLSA-N 1 0 383.456 1.631 20 0 GDADRO C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001571231184 953183314 /nfs/dbraw/zinc/18/33/14/953183314.db2.gz VAAKJZGGSAIKKH-RTBURBONSA-N 1 0 383.452 1.410 20 0 GDADRO CC[C@@H]1CN(C(=O)C2=CCOCC2)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571231518 953184702 /nfs/dbraw/zinc/18/47/02/953184702.db2.gz ZGMVUUIGCDVXOS-CZUORRHYSA-N 1 0 383.456 1.069 20 0 GDADRO CCc1ncsc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571233785 953196047 /nfs/dbraw/zinc/19/60/47/953196047.db2.gz DBEPVAOZDQEECE-ZDUSSCGKSA-N 1 0 383.481 1.890 20 0 GDADRO Cc1nsc(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234016 953198544 /nfs/dbraw/zinc/19/85/44/953198544.db2.gz KPMOJHLJILLSKE-OAHLLOKOSA-N 1 0 383.481 1.944 20 0 GDADRO Cc1ncc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)s1 ZINC001571234155 953199197 /nfs/dbraw/zinc/19/91/97/953199197.db2.gz OHKHKQCNJXJOCG-MQMHXKEQSA-N 1 0 383.481 1.930 20 0 GDADRO Cc1ncccc1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571234216 953199984 /nfs/dbraw/zinc/19/99/84/953199984.db2.gz QADZBXNUDCHZOY-AWEZNQCLSA-N 1 0 383.481 1.565 20 0 GDADRO O=C(Cc1ccc(Cl)cc1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571235097 953208623 /nfs/dbraw/zinc/20/86/23/953208623.db2.gz SNGKAICCGRILOO-AWEZNQCLSA-N 1 0 383.843 1.593 20 0 GDADRO O=C(Cc1cccc(Cl)c1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571235277 953210608 /nfs/dbraw/zinc/21/06/08/953210608.db2.gz YVFYITPPCGYPCQ-CQSZACIVSA-N 1 0 383.843 1.593 20 0 GDADRO C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@@H]1CCCN1C(=O)c1cn[nH]c1 ZINC001571238779 953232325 /nfs/dbraw/zinc/23/23/25/953232325.db2.gz AICVQVGGCMQZAG-HNNXBMFYSA-N 1 0 384.419 1.466 20 0 GDADRO Cc1c[nH]c(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)n1 ZINC001571239205 953237061 /nfs/dbraw/zinc/23/70/61/953237061.db2.gz HQPSZBVSSZNNQE-ZUZCIYMTSA-N 1 0 384.419 1.288 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1cc[nH]n1 ZINC001571239560 953240206 /nfs/dbraw/zinc/24/02/06/953240206.db2.gz MLZISIQMZGQXAE-MEDUHNTESA-N 1 0 384.419 1.051 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1cc[nH]n1 ZINC001571239561 953240500 /nfs/dbraw/zinc/24/05/00/953240500.db2.gz MLZISIQMZGQXAE-ZBEGNZNMSA-N 1 0 384.419 1.051 20 0 GDADRO O=C(Cc1ccoc1)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571239988 953245027 /nfs/dbraw/zinc/24/50/27/953245027.db2.gz WQZNFAHGXOVSNI-MRXNPFEDSA-N 1 0 384.415 1.922 20 0 GDADRO Cc1ncn(C)c1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571241646 953248170 /nfs/dbraw/zinc/24/81/70/953248170.db2.gz HGFJNMGYIVVYDS-AWEZNQCLSA-N 1 0 384.419 1.052 20 0 GDADRO Cc1nn(C)c(F)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571242242 953254593 /nfs/dbraw/zinc/25/45/93/953254593.db2.gz XKXYGQABODKTTJ-CYBMUJFWSA-N 1 0 384.419 1.052 20 0 GDADRO Cc1ncc(C(=O)NC[C@@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571245624 953274988 /nfs/dbraw/zinc/27/49/88/953274988.db2.gz XEZLBZXRYMGGPE-HAQNSBGRSA-N 1 0 384.469 1.377 20 0 GDADRO Cc1cc(NCC[C@H]2CCN(C(=O)c3cncs3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245829 953277496 /nfs/dbraw/zinc/27/74/96/953277496.db2.gz ZRCNPKOGKOVCNX-LBPRGKRZSA-N 1 0 384.469 1.413 20 0 GDADRO CCO[C@@H]1C[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571247765 953286149 /nfs/dbraw/zinc/28/61/49/953286149.db2.gz DMMRSQCSQDTOHG-IAGOWNOFSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H]1C[C@H](C(=O)NCC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CO1 ZINC001571247905 953286868 /nfs/dbraw/zinc/28/68/68/953286868.db2.gz IBZQDLKLQXTHCB-KDOFPFPSSA-N 1 0 384.484 1.620 20 0 GDADRO Cc1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c(C)n1 ZINC001571247909 953287643 /nfs/dbraw/zinc/28/76/43/953287643.db2.gz 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CCS(=O)(=O)N(C)CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000054805624 530702696 /nfs/dbraw/zinc/70/26/96/530702696.db2.gz FKRAOCNENBDAGR-HNNXBMFYSA-N 1 0 376.567 1.468 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000177566291 530705295 /nfs/dbraw/zinc/70/52/95/530705295.db2.gz IDUJCHXBNANKQU-GFCCVEGCSA-N 1 0 397.317 1.448 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[NH+]1CCCC1 ZINC000055177193 530705290 /nfs/dbraw/zinc/70/52/90/530705290.db2.gz BJHVLVWWTPISJE-INIZCTEOSA-N 1 0 385.555 1.299 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000177606698 530706366 /nfs/dbraw/zinc/70/63/66/530706366.db2.gz GXEUHPMONVRMPQ-MNOVXSKESA-N 1 0 379.935 1.669 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000056891836 530721122 /nfs/dbraw/zinc/72/11/22/530721122.db2.gz MFWCQNQORDPSHP-CYBMUJFWSA-N 1 0 381.523 1.793 20 0 GDADRO C[C@@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCC1)C[NH+]1CCCC1 ZINC000055539930 530709059 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COc1cc(I)c(C(=O)NC[C@H]2CCC[NH2+]2)cc1OC ZINC000178769741 530727324 /nfs/dbraw/zinc/72/73/24/530727324.db2.gz NLKFTZZGPXAFGD-SECBINFHSA-N 1 0 390.221 1.790 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000178764161 530727418 /nfs/dbraw/zinc/72/74/18/530727418.db2.gz NKCYNWRGTMKZFP-CYBMUJFWSA-N 1 0 385.917 1.996 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000178760351 530727716 /nfs/dbraw/zinc/72/77/16/530727716.db2.gz KKNAQDBOCOACBE-CABCVRRESA-N 1 0 380.286 1.922 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)CC1 ZINC000178841246 530728601 /nfs/dbraw/zinc/72/86/01/530728601.db2.gz PJPBECIPAHDXBL-LLVKDONJSA-N 1 0 396.285 1.760 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000178821553 530728910 /nfs/dbraw/zinc/72/89/10/530728910.db2.gz SWADCVXGVXNLNW-NSHDSACASA-N 1 0 393.285 1.745 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(Br)n1 ZINC000179777362 530750072 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Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c(Br)n1 ZINC000179705722 530747593 /nfs/dbraw/zinc/74/75/93/530747593.db2.gz AIJZNHDVOWQSCC-UHFFFAOYSA-N 1 0 399.289 1.318 20 0 GDADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)Cn3cc(Br)cn3)C2=O)n(C)n1 ZINC000181189070 530779478 /nfs/dbraw/zinc/77/94/78/530779478.db2.gz NOAOTNAFIPISRN-DGCLKSJQSA-N 1 0 381.278 1.471 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000067863878 530780265 /nfs/dbraw/zinc/78/02/65/530780265.db2.gz SAVQSIQPUAQZSP-CYBMUJFWSA-N 1 0 383.539 1.428 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000068063506 530782572 /nfs/dbraw/zinc/78/25/72/530782572.db2.gz CELMISPTDOGQPN-UHFFFAOYSA-N 1 0 378.523 1.647 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000068031673 530782581 /nfs/dbraw/zinc/78/25/81/530782581.db2.gz CSSHNHKIHUNUFK-HZSPNIEDSA-N 1 0 389.543 1.030 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[N@H+](C)C1CC1 ZINC000068216062 530785124 /nfs/dbraw/zinc/78/51/24/530785124.db2.gz CEWAIMKBNDBTRA-UKRRQHHQSA-N 1 0 385.555 1.890 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000069527199 530797554 /nfs/dbraw/zinc/79/75/54/530797554.db2.gz KRAXCNXUGAEUFY-OAHLLOKOSA-N 1 0 398.301 1.406 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)COc1ccc(Br)cc1 ZINC000184385918 530827259 /nfs/dbraw/zinc/82/72/59/530827259.db2.gz SXROCRFJBCPQKQ-AWEZNQCLSA-N 1 0 384.318 1.970 20 0 GDADRO CCOc1ccc(S(=O)(=O)NCC[N@H+](CC)CCO)cc1Br ZINC000184337983 530827356 /nfs/dbraw/zinc/82/73/56/530827356.db2.gz XHINDYHPGYCKLK-UHFFFAOYSA-N 1 0 395.319 1.440 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000184669055 530830876 /nfs/dbraw/zinc/83/08/76/530830876.db2.gz LEEAZTDXODUKHP-YPMHNXCESA-N 1 0 378.416 1.829 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CN1CSCC1=O)c1cccc(C(F)(F)F)c1 ZINC000184828255 530832553 /nfs/dbraw/zinc/83/25/53/530832553.db2.gz NNYCTILLNTUONH-ZDUSSCGKSA-N 1 0 375.416 1.957 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)COc4cc(Br)ccc43)C[C@@H]12 ZINC000184995844 530834919 /nfs/dbraw/zinc/83/49/19/530834919.db2.gz FNCRZUUULDHIER-CYZMBNFOSA-N 1 0 394.269 1.370 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)s1 ZINC000085366451 530808855 /nfs/dbraw/zinc/80/88/55/530808855.db2.gz GHZMAHOYJSJRFW-NSHDSACASA-N 1 0 376.548 1.432 20 0 GDADRO [NH3+]CCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000183115108 530809073 /nfs/dbraw/zinc/80/90/73/530809073.db2.gz IJIMWGGHSXKBAD-UHFFFAOYSA-N 1 0 377.182 1.975 20 0 GDADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000183197132 530811441 /nfs/dbraw/zinc/81/14/41/530811441.db2.gz SQJKZUYAFFCNPP-MRXNPFEDSA-N 1 0 386.539 1.254 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000183243947 530811795 /nfs/dbraw/zinc/81/17/95/530811795.db2.gz YQOMBJPUJIQUME-CQSZACIVSA-N 1 0 387.933 1.401 20 0 GDADRO NC(=O)c1c(F)cc(Br)cc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000092830315 530813459 /nfs/dbraw/zinc/81/34/59/530813459.db2.gz SGGGNHRHPCPKGR-LLVKDONJSA-N 1 0 386.265 1.846 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000183370010 530814019 /nfs/dbraw/zinc/81/40/19/530814019.db2.gz HQCSYFIGQSJAOD-UHFFFAOYSA-N 1 0 382.258 1.852 20 0 GDADRO CN(CC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1cccs1 ZINC000183362195 530814199 /nfs/dbraw/zinc/81/41/99/530814199.db2.gz JYHIDVHYIIOWMO-OLZOCXBDSA-N 1 0 380.557 1.314 20 0 GDADRO COCCCCS(=O)(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000185084090 530836367 /nfs/dbraw/zinc/83/63/67/530836367.db2.gz LYRKVQLSHJUFKI-IAGOWNOFSA-N 1 0 376.563 1.954 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000094093067 530816043 /nfs/dbraw/zinc/81/60/43/530816043.db2.gz LWPHXNBCUWHPNL-UHFFFAOYSA-N 1 0 396.289 1.723 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000096999668 530818815 /nfs/dbraw/zinc/81/88/15/530818815.db2.gz BHNWPTCYMKGQLB-CYBMUJFWSA-N 1 0 383.543 1.243 20 0 GDADRO CC[NH2+]Cc1cn(CC(=O)Nc2cccc(I)c2)nn1 ZINC000097526632 530821647 /nfs/dbraw/zinc/82/16/47/530821647.db2.gz XFOYSXBAASBZCT-UHFFFAOYSA-N 1 0 385.209 1.631 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000185846212 530847733 /nfs/dbraw/zinc/84/77/33/530847733.db2.gz KILGFGAGWVOWJU-UHFFFAOYSA-N 1 0 395.319 1.704 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CCNS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000186130575 530851581 /nfs/dbraw/zinc/85/15/81/530851581.db2.gz GAGWDICQVQNUGM-ZDUSSCGKSA-N 1 0 381.420 1.364 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000106921858 530851666 /nfs/dbraw/zinc/85/16/66/530851666.db2.gz JJZHKBMGXLBALI-GFCCVEGCSA-N 1 0 387.311 1.475 20 0 GDADRO O=C(CSCc1cc(=O)n2ccsc2n1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108307770 530856567 /nfs/dbraw/zinc/85/65/67/530856567.db2.gz MBNBPKNVBIPQJI-CYBMUJFWSA-N 1 0 378.523 1.590 20 0 GDADRO CN(CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000108308256 530856632 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COc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)nc1Br ZINC000186986944 530866059 /nfs/dbraw/zinc/86/60/59/530866059.db2.gz VTBDAXUDGCFCNV-LLVKDONJSA-N 1 0 386.290 1.770 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000110650764 530868735 /nfs/dbraw/zinc/86/87/35/530868735.db2.gz QMZVCQLEHHNWRO-SNVBAGLBSA-N 1 0 375.288 1.534 20 0 GDADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1cccs1)[N@H+](C)Cc1ccccc1 ZINC000110965585 530870999 /nfs/dbraw/zinc/87/09/99/530870999.db2.gz QLFSVJQWNPBOPO-AWEZNQCLSA-N 1 0 381.523 1.663 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000185116657 530837344 /nfs/dbraw/zinc/83/73/44/530837344.db2.gz LXUPTWXBJNLNAL-UHFFFAOYSA-N 1 0 388.921 1.354 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)c1nc2ncc(Br)cn2n1 ZINC000104554755 530838683 /nfs/dbraw/zinc/83/86/83/530838683.db2.gz HHMXHIAJSZRQEV-UHFFFAOYSA-N 1 0 399.293 1.317 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccccc1Br ZINC000185334185 530840026 /nfs/dbraw/zinc/84/00/26/530840026.db2.gz 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C[C@@H](O)C[N@@H+]1CCN(Cc2nnnn2-c2ccccc2Br)[C@@H](C)C1 ZINC000192815138 530974193 /nfs/dbraw/zinc/97/41/93/530974193.db2.gz SUSIEERNRJGSJK-QWHCGFSZSA-N 1 0 395.305 1.312 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)C[C@@H]2C1 ZINC000192916478 530975551 /nfs/dbraw/zinc/97/55/51/530975551.db2.gz FWKPDTLOJHWXDQ-PHIMTYICSA-N 1 0 398.428 1.162 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000123035010 530978640 /nfs/dbraw/zinc/97/86/40/530978640.db2.gz OXRXSBILURKAHC-CQSZACIVSA-N 1 0 386.539 1.395 20 0 GDADRO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Br)cc2c1OCC2 ZINC000193241744 530982168 /nfs/dbraw/zinc/98/21/68/530982168.db2.gz JOPCMPGLONWHJC-FUNVUKJBSA-N 1 0 387.299 1.945 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NCC[NH2+]C2CC2)cc1Br ZINC000193258808 530982219 /nfs/dbraw/zinc/98/22/19/530982219.db2.gz AGZRLTUZJWVGFV-UHFFFAOYSA-N 1 0 376.276 1.438 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)cc1Br ZINC000193270997 530982949 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[NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccc(Br)cc1 ZINC000193668556 530991413 /nfs/dbraw/zinc/99/14/13/530991413.db2.gz FTUMQPNGEHJRKA-HNNXBMFYSA-N 1 0 382.302 1.838 20 0 GDADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000193770696 530992989 /nfs/dbraw/zinc/99/29/89/530992989.db2.gz QTAZPFXCSKSVDW-CYBMUJFWSA-N 1 0 385.917 1.897 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000193409774 530985954 /nfs/dbraw/zinc/98/59/54/530985954.db2.gz MAAPELMPUTYNTD-MWLCHTKSSA-N 1 0 393.303 1.743 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(OC)cc1Br ZINC000193416465 530986172 /nfs/dbraw/zinc/98/61/72/530986172.db2.gz VKRRLNSQQMELPP-GXSJLCMTSA-N 1 0 393.303 1.743 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000123677235 530986547 /nfs/dbraw/zinc/98/65/47/530986547.db2.gz JKECIDYCCCEBIC-LLVKDONJSA-N 1 0 399.289 1.077 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)s1 ZINC000193429165 530986839 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1.825 20 0 GDADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000249774142 531089620 /nfs/dbraw/zinc/08/96/20/531089620.db2.gz MHOSMQBIYQUZAQ-UPJWGTAASA-N 1 0 388.559 1.561 20 0 GDADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC1 ZINC000261993035 531104717 /nfs/dbraw/zinc/10/47/17/531104717.db2.gz FFHSDTFRPDBFGU-VIFPVBQESA-N 1 0 390.303 1.296 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000262004821 531104719 /nfs/dbraw/zinc/10/47/19/531104719.db2.gz GRZBKAVQTODZQH-UHFFFAOYSA-N 1 0 387.933 1.809 20 0 GDADRO CO[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)[C@H](C[NH3+])C1 ZINC000252785212 531091066 /nfs/dbraw/zinc/09/10/66/531091066.db2.gz YINSJALHEXVHFV-RYUDHWBXSA-N 1 0 377.304 1.884 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)s1 ZINC000133653416 531093458 /nfs/dbraw/zinc/09/34/58/531093458.db2.gz IJIYYYWOIDBSFX-ZDUSSCGKSA-N 1 0 388.559 1.433 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000261615808 531093785 /nfs/dbraw/zinc/09/37/85/531093785.db2.gz BHLJHCZAXJHDPZ-WCQYABFASA-N 1 0 389.315 1.560 20 0 GDADRO CC[C@@](C)([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C(N)=O ZINC000133767762 531094949 /nfs/dbraw/zinc/09/49/49/531094949.db2.gz RTTUDNHSLFUFMJ-MRXNPFEDSA-N 1 0 388.299 1.281 20 0 GDADRO O=S(=O)(c1ccc(Br)s1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261683772 531095925 /nfs/dbraw/zinc/09/59/25/531095925.db2.gz GYPWJPHKBOPUCB-JTQLQIEISA-N 1 0 380.333 1.179 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261680696 531096050 /nfs/dbraw/zinc/09/60/50/531096050.db2.gz GXVPSOILQNITTO-OAHLLOKOSA-N 1 0 384.274 1.566 20 0 GDADRO O=C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1cccc(I)c1 ZINC000261674564 531096131 /nfs/dbraw/zinc/09/61/31/531096131.db2.gz GCQFWTORMVMMPJ-BXUZGUMPSA-N 1 0 385.249 1.914 20 0 GDADRO C[C@]([NH3+])(C(=O)N1CCC2(CNC(=O)C2)CC1)c1ccc(Br)cc1 ZINC000261712916 531096616 /nfs/dbraw/zinc/09/66/16/531096616.db2.gz JLCALJKKTAIWJR-MRXNPFEDSA-N 1 0 380.286 1.752 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261728886 531097134 /nfs/dbraw/zinc/09/71/34/531097134.db2.gz JTQQFJMQCFNFTO-INIZCTEOSA-N 1 0 398.301 1.956 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000261766212 531098623 /nfs/dbraw/zinc/09/86/23/531098623.db2.gz OSCTWXCNQYBPJG-SNVBAGLBSA-N 1 0 377.304 1.726 20 0 GDADRO CCCc1ccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261778461 531098774 /nfs/dbraw/zinc/09/87/74/531098774.db2.gz MVMSSAZSIRVYMR-OAHLLOKOSA-N 1 0 379.448 1.754 20 0 GDADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1Br ZINC000261801850 531099058 /nfs/dbraw/zinc/09/90/58/531099058.db2.gz ROPPGEWYZNMPHD-AWEZNQCLSA-N 1 0 378.274 1.768 20 0 GDADRO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000134325425 531099071 /nfs/dbraw/zinc/09/90/71/531099071.db2.gz QHWZFHQXIDJURE-OAHLLOKOSA-N 1 0 375.441 1.696 20 0 GDADRO C[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[C@H](C[NH3+])C1 ZINC000261789231 531099082 /nfs/dbraw/zinc/09/90/82/531099082.db2.gz LUBWTSUSTAQDDN-KBPBESRZSA-N 1 0 385.555 1.661 20 0 GDADRO O=S(=O)(c1sccc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261800733 531099532 /nfs/dbraw/zinc/09/95/32/531099532.db2.gz RKCHMUTWCRLGRW-JTQLQIEISA-N 1 0 380.333 1.179 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cc2c(cc1Br)OCCO2 ZINC000261815875 531100256 /nfs/dbraw/zinc/10/02/56/531100256.db2.gz PCOKHSOJUUVOAC-BREBYQMCSA-N 1 0 385.258 1.904 20 0 GDADRO O=S(=O)(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000261868423 531101824 /nfs/dbraw/zinc/10/18/24/531101824.db2.gz STCCPWDXJKRZLU-QMMMGPOBSA-N 1 0 377.841 1.516 20 0 GDADRO C[NH2+][C@@H](C)Cc1noc(CN2C(=O)COc3cc(Br)ccc32)n1 ZINC000261892935 531101993 /nfs/dbraw/zinc/10/19/93/531101993.db2.gz XQJMNHXFABLIJH-VIFPVBQESA-N 1 0 381.230 1.908 20 0 GDADRO COCC1(CNS(=O)(=O)c2cc(Br)ccc2F)CC[NH2+]CC1 ZINC000261921291 531102994 /nfs/dbraw/zinc/10/29/94/531102994.db2.gz BQWMSMKFZSBHSQ-UHFFFAOYSA-N 1 0 395.294 1.883 20 0 GDADRO COc1ccc(Cl)cc1CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261932384 531103096 /nfs/dbraw/zinc/10/30/96/531103096.db2.gz ISMOZAICJZTJQD-CQSZACIVSA-N 1 0 379.810 1.843 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)cnc2N)[C@@H](C)C1 ZINC000246733777 531069526 /nfs/dbraw/zinc/06/95/26/531069526.db2.gz OVTJOJFILHIFEF-GXTWGEPZSA-N 1 0 390.937 1.733 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246725773 531069588 /nfs/dbraw/zinc/06/95/88/531069588.db2.gz LVCKCNZFZGRVQQ-OLZOCXBDSA-N 1 0 385.302 1.914 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000131314283 531069734 /nfs/dbraw/zinc/06/97/34/531069734.db2.gz DRBCWQRSJGAESS-GXTWGEPZSA-N 1 0 388.559 1.316 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000246841430 531070207 /nfs/dbraw/zinc/07/02/07/531070207.db2.gz CEUQYKCBHRITPA-HOCLYGCPSA-N 1 0 385.555 1.532 20 0 GDADRO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131361894 531070808 /nfs/dbraw/zinc/07/08/08/531070808.db2.gz CCQIPOHIFFBVIQ-LBPRGKRZSA-N 1 0 375.441 1.507 20 0 GDADRO Cc1cc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)ccc1Br ZINC000262028337 531105403 /nfs/dbraw/zinc/10/54/03/531105403.db2.gz DQJUWQPEHYWFEO-UHFFFAOYSA-N 1 0 375.288 1.863 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000262090720 531107618 /nfs/dbraw/zinc/10/76/18/531107618.db2.gz UULGYQORXIYHQP-NSHDSACASA-N 1 0 389.905 1.410 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)c(OC)c1 ZINC000262121060 531108710 /nfs/dbraw/zinc/10/87/10/531108710.db2.gz JSVJBMOGGJKPRP-CYBMUJFWSA-N 1 0 393.531 1.109 20 0 GDADRO O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)C1(c2cccc(Br)c2)CC1 ZINC000262115983 531108831 /nfs/dbraw/zinc/10/88/31/531108831.db2.gz VENSLQYUEKHDHG-MRXNPFEDSA-N 1 0 378.314 1.987 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000262115287 531108856 /nfs/dbraw/zinc/10/88/56/531108856.db2.gz MXRRYSHTPXJYBK-HOCLYGCPSA-N 1 0 398.301 1.449 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1 ZINC000262125340 531108921 /nfs/dbraw/zinc/10/89/21/531108921.db2.gz WFGZKXFIWFYVRQ-UWVGGRQHSA-N 1 0 390.303 1.296 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000262137465 531109430 /nfs/dbraw/zinc/10/94/30/531109430.db2.gz XLRXXFNYGCLJJF-KGLIPLIRSA-N 1 0 389.543 1.075 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000262155759 531109948 /nfs/dbraw/zinc/10/99/48/531109948.db2.gz ZJKOAWNSHJDDOG-BBRMVZONSA-N 1 0 389.543 1.075 20 0 GDADRO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262169237 531110439 /nfs/dbraw/zinc/11/04/39/531110439.db2.gz WWIDHMHQHCEJRM-ZDUSSCGKSA-N 1 0 389.905 1.390 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000262159004 531110790 /nfs/dbraw/zinc/11/07/90/531110790.db2.gz ZQNMMQCCRHAMBM-ZDUSSCGKSA-N 1 0 391.896 1.628 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000262183947 531111265 /nfs/dbraw/zinc/11/12/65/531111265.db2.gz RDBPPBZGSVLOIK-GOEBONIOSA-N 1 0 385.555 1.345 20 0 GDADRO COCC1(CNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000262233173 531113147 /nfs/dbraw/zinc/11/31/47/531113147.db2.gz HAEIBCQWZLYIGS-UHFFFAOYSA-N 1 0 393.912 1.762 20 0 GDADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000262250280 531113592 /nfs/dbraw/zinc/11/35/92/531113592.db2.gz IOWVOUFPTBERMQ-NSHDSACASA-N 1 0 394.360 1.487 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2cc(Br)c(F)cc2C)CCC[NH2+]1 ZINC000262269042 531114592 /nfs/dbraw/zinc/11/45/92/531114592.db2.gz KEJGZWXASUHIJR-AWEZNQCLSA-N 1 0 395.294 1.944 20 0 GDADRO C[C@H](C[NH3+])C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000262278166 531114717 /nfs/dbraw/zinc/11/47/17/531114717.db2.gz WSKGXDDTOSFSHJ-SNVBAGLBSA-N 1 0 377.304 1.712 20 0 GDADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000136546444 531115714 /nfs/dbraw/zinc/11/57/14/531115714.db2.gz RHYRBFKCSVMWMP-MRXNPFEDSA-N 1 0 376.567 1.607 20 0 GDADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cc(Cl)c2O1 ZINC000262336568 531117148 /nfs/dbraw/zinc/11/71/48/531117148.db2.gz SGEGGTYYENILTR-TZMCWYRMSA-N 1 0 385.917 1.332 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1C(F)(F)F ZINC000262384286 531118970 /nfs/dbraw/zinc/11/89/70/531118970.db2.gz YFDKGFVHUSYCRZ-VHSXEESVSA-N 1 0 380.388 1.911 20 0 GDADRO COCCCS(=O)(=O)NCCN(C)Cc1cc(Br)cn1C ZINC000151578812 531139918 /nfs/dbraw/zinc/13/99/18/531139918.db2.gz HNHMWYURHZPVQP-UHFFFAOYSA-N 1 0 382.324 1.175 20 0 GDADRO CC[NH2+]CCNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000262526539 531123202 /nfs/dbraw/zinc/12/32/02/531123202.db2.gz AXWDHTQSVWKDBU-UHFFFAOYSA-N 1 0 381.420 1.490 20 0 GDADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)c2cc3c(s2)CCOC3)c1 ZINC000262509700 531123296 /nfs/dbraw/zinc/12/32/96/531123296.db2.gz LIZCLTCNLKELHQ-UHFFFAOYSA-N 1 0 381.479 1.310 20 0 GDADRO CN(CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)c1ccc(Br)s1 ZINC000144272354 531123566 /nfs/dbraw/zinc/12/35/66/531123566.db2.gz QTMPOGADDLKNOO-JTQLQIEISA-N 1 0 386.315 1.936 20 0 GDADRO [NH3+][C@H](CNC(=O)c1sccc1S(=O)(=O)N1CCCC1)c1ccccc1 ZINC000262578009 531124231 /nfs/dbraw/zinc/12/42/31/531124231.db2.gz KRMOSRQONBNTCZ-CQSZACIVSA-N 1 0 379.507 1.962 20 0 GDADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000262606421 531124844 /nfs/dbraw/zinc/12/48/44/531124844.db2.gz AXWJSHMNKZTCBS-AGUYFDCRSA-N 1 0 379.473 1.288 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000262583591 531124911 /nfs/dbraw/zinc/12/49/11/531124911.db2.gz MIJPRXHUBCKYBH-UHFFFAOYSA-N 1 0 381.420 1.427 20 0 GDADRO [NH3+]CCCOC1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000262598077 531125057 /nfs/dbraw/zinc/12/50/57/531125057.db2.gz MIVKDEMFMPCJRR-UHFFFAOYSA-N 1 0 395.934 1.036 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCC[C@H]3C[NH3+])C2)s1 ZINC000262632422 531125648 /nfs/dbraw/zinc/12/56/48/531125648.db2.gz OFSRIXLNQMGWEF-SOUVJXGZSA-N 1 0 385.555 1.701 20 0 GDADRO CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000262696134 531126954 /nfs/dbraw/zinc/12/69/54/531126954.db2.gz DWIVARIPBMMOOM-HIFRSBDPSA-N 1 0 389.518 1.175 20 0 GDADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000262730713 531127806 /nfs/dbraw/zinc/12/78/06/531127806.db2.gz BHQMCCKKWTUFMW-ZDUSSCGKSA-N 1 0 389.568 1.113 20 0 GDADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc3c(cc2Br)OCCO3)CC[NH2+]1 ZINC000262752191 531128670 /nfs/dbraw/zinc/12/86/70/531128670.db2.gz CFFLBLHKXZMYFU-UWVGGRQHSA-N 1 0 391.287 1.639 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000262749379 531128764 /nfs/dbraw/zinc/12/87/64/531128764.db2.gz JUUFIVDMOBVHSF-SMDDNHRTSA-N 1 0 389.315 1.478 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1 ZINC000262757013 531129643 /nfs/dbraw/zinc/12/96/43/531129643.db2.gz IFMHBHUGASPFLX-KGLIPLIRSA-N 1 0 389.543 1.599 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000262761057 531129732 /nfs/dbraw/zinc/12/97/32/531129732.db2.gz RMPPXLFSHCXTNB-MRXNPFEDSA-N 1 0 389.543 1.121 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1Br ZINC000262778435 531130185 /nfs/dbraw/zinc/13/01/85/531130185.db2.gz OFRHTQQDMVRMBA-VHSXEESVSA-N 1 0 390.303 1.778 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000262802134 531131280 /nfs/dbraw/zinc/13/12/80/531131280.db2.gz VRYVRZIGGMKLNI-JOYOIKCWSA-N 1 0 375.288 1.660 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC[NH2+]1 ZINC000262796046 531131304 /nfs/dbraw/zinc/13/13/04/531131304.db2.gz DQVGBDXRLDOBSD-RYUDHWBXSA-N 1 0 389.568 1.356 20 0 GDADRO CSc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000262816967 531131935 /nfs/dbraw/zinc/13/19/35/531131935.db2.gz ZORAAHJYOILEMJ-LLVKDONJSA-N 1 0 391.946 1.538 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCNC(=O)C1 ZINC000150975108 531132277 /nfs/dbraw/zinc/13/22/77/531132277.db2.gz YHJANCFWXOGTLH-AWEZNQCLSA-N 1 0 382.302 1.866 20 0 GDADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)sc2C)s1 ZINC000262848108 531132629 /nfs/dbraw/zinc/13/26/29/531132629.db2.gz JSOMYDNNPNUIHM-CMPLNLGQSA-N 1 0 380.495 1.477 20 0 GDADRO O=C([C@H]1CCC[NH2+]C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000151084758 531133669 /nfs/dbraw/zinc/13/36/69/531133669.db2.gz XPOGGSZIDWFXIW-NSHDSACASA-N 1 0 377.919 1.234 20 0 GDADRO C[C@H]1C[C@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)CC[NH2+]1 ZINC000262892267 531133826 /nfs/dbraw/zinc/13/38/26/531133826.db2.gz ORFMBFMOYMZUTM-CMPLNLGQSA-N 1 0 386.265 1.965 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262927725 531135125 /nfs/dbraw/zinc/13/51/25/531135125.db2.gz LRGMDYWBNVMLTL-OAHLLOKOSA-N 1 0 385.555 1.500 20 0 GDADRO CC(C)N(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000151831049 531143356 /nfs/dbraw/zinc/14/33/56/531143356.db2.gz MSVBCSZWYZXHPM-UHFFFAOYSA-N 1 0 381.951 1.821 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)NCC[NH2+]C2CC2)cc1Br ZINC000151597132 531140817 /nfs/dbraw/zinc/14/08/17/531140817.db2.gz AIEBQMNLVPVJPB-UHFFFAOYSA-N 1 0 390.303 1.181 20 0 GDADRO C[NH2+]CC1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000152241126 531148351 /nfs/dbraw/zinc/14/83/51/531148351.db2.gz FKRITGIEFHNYRF-UHFFFAOYSA-N 1 0 393.285 1.617 20 0 GDADRO C[NH2+]CC1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000152270034 531149076 /nfs/dbraw/zinc/14/90/76/531149076.db2.gz ZSQDNIIJEBDWFD-UHFFFAOYSA-N 1 0 394.269 1.503 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccncc2Br)CC1 ZINC000152357838 531150567 /nfs/dbraw/zinc/15/05/67/531150567.db2.gz WUQPUHHMFXMCIZ-UHFFFAOYSA-N 1 0 381.274 1.224 20 0 GDADRO COc1cc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)ccc1S(=O)(=O)C(F)F ZINC000152439971 531151521 /nfs/dbraw/zinc/15/15/21/531151521.db2.gz BTHYIRNOLJSQKK-JQWIXIFHSA-N 1 0 376.425 1.963 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000152525191 531153113 /nfs/dbraw/zinc/15/31/13/531153113.db2.gz WABYLLIXJUVQDY-SJKOYZFVSA-N 1 0 398.301 1.231 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CN1CCS(=O)(=O)CC1 ZINC000152674931 531155692 /nfs/dbraw/zinc/15/56/92/531155692.db2.gz LJTCHOUGGCOBSW-UHFFFAOYSA-N 1 0 387.571 1.149 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000153040205 531161773 /nfs/dbraw/zinc/16/17/73/531161773.db2.gz DSXNKYIETOXYMJ-XPTSAGLGSA-N 1 0 392.319 1.058 20 0 GDADRO COc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc(OC)c1Br ZINC000153259475 531165538 /nfs/dbraw/zinc/16/55/38/531165538.db2.gz DUCOJGNSZGRSKS-OAHLLOKOSA-N 1 0 375.263 1.509 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1cccc(I)c1 ZINC000153213519 531164467 /nfs/dbraw/zinc/16/44/67/531164467.db2.gz DSSKSRQYWXVQJB-AWEZNQCLSA-N 1 0 376.238 1.263 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000153353834 531166006 /nfs/dbraw/zinc/16/60/06/531166006.db2.gz ZRBVAXKCEIUHHP-MRXNPFEDSA-N 1 0 399.264 1.816 20 0 GDADRO COC1(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CC[NH2+]CC1 ZINC000154097438 531178055 /nfs/dbraw/zinc/17/80/55/531178055.db2.gz YOWIAXKNTFGVLX-UHFFFAOYSA-N 1 0 394.273 1.796 20 0 GDADRO COC1(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)CC[NH2+]CC1 ZINC000154243376 531179973 /nfs/dbraw/zinc/17/99/73/531179973.db2.gz JZHLLGHRMQEPPH-UHFFFAOYSA-N 1 0 398.301 1.971 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000154360939 531182576 /nfs/dbraw/zinc/18/25/76/531182576.db2.gz DLGWBNAPWLGEKF-CQSZACIVSA-N 1 0 375.288 1.832 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2I)C1 ZINC000264443518 531184815 /nfs/dbraw/zinc/18/48/15/531184815.db2.gz CBEGEIMAOTZNJP-NSHDSACASA-N 1 0 392.212 1.881 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000264510762 531188873 /nfs/dbraw/zinc/18/88/73/531188873.db2.gz SZEAMORVPDTSBF-CQSZACIVSA-N 1 0 384.274 1.016 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000264536881 531189735 /nfs/dbraw/zinc/18/97/35/531189735.db2.gz ABCOFGYNBAWRLH-AWEZNQCLSA-N 1 0 385.555 1.540 20 0 GDADRO C[NH+](C)Cc1ccc(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000155213903 531197219 /nfs/dbraw/zinc/19/72/19/531197219.db2.gz IPDJZTUVNJZPMB-HNNXBMFYSA-N 1 0 382.507 1.374 20 0 GDADRO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000155307265 531199138 /nfs/dbraw/zinc/19/91/38/531199138.db2.gz YPOFFSLXQVJGLL-UHFFFAOYSA-N 1 0 389.237 1.688 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000264706627 531198243 /nfs/dbraw/zinc/19/82/43/531198243.db2.gz CZWSUKCNJSFCFM-UHFFFAOYSA-N 1 0 384.322 1.759 20 0 GDADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000155528256 531201294 /nfs/dbraw/zinc/20/12/94/531201294.db2.gz UYFJGLXBHYAGNK-UHFFFAOYSA-N 1 0 376.910 1.439 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264869983 531202882 /nfs/dbraw/zinc/20/28/82/531202882.db2.gz RALWLRVEGBVFGG-HNNXBMFYSA-N 1 0 399.333 1.715 20 0 GDADRO CC(C)[C@H](CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000157146236 531206247 /nfs/dbraw/zinc/20/62/47/531206247.db2.gz XMNNTXIPZDYPDN-HOTGVXAUSA-N 1 0 375.579 1.823 20 0 GDADRO NS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000471148810 531209008 /nfs/dbraw/zinc/20/90/08/531209008.db2.gz VOPCIUDGWBDRAF-LLVKDONJSA-N 1 0 390.303 1.531 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000264929944 531212110 /nfs/dbraw/zinc/21/21/10/531212110.db2.gz SEAJAZSKEDRLSL-VIFPVBQESA-N 1 0 378.292 1.167 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000519556425 531215131 /nfs/dbraw/zinc/21/51/31/531215131.db2.gz GOEFBGKEONSDQP-CQSZACIVSA-N 1 0 375.922 1.383 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290207049 531215762 /nfs/dbraw/zinc/21/57/62/531215762.db2.gz RTUNNFYGEHTCCF-LLVKDONJSA-N 1 0 379.262 1.349 20 0 GDADRO CC(C)[C@H](C[NH3+])C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000433112577 531216657 /nfs/dbraw/zinc/21/66/57/531216657.db2.gz BOEOOHXGENAKJD-HNNXBMFYSA-N 1 0 382.302 1.964 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000519698272 531218084 /nfs/dbraw/zinc/21/80/84/531218084.db2.gz WFWCXDJJINRJJI-AWEZNQCLSA-N 1 0 378.274 1.268 20 0 GDADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H](C)C1 ZINC000519777963 531220429 /nfs/dbraw/zinc/22/04/29/531220429.db2.gz QMZAJRLABDPINC-OBJOEFQTSA-N 1 0 395.301 1.971 20 0 GDADRO O=C(c1cccn2c(I)cnc12)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290306662 531221981 /nfs/dbraw/zinc/22/19/81/531221981.db2.gz FOLJVAWCZCDDRM-QWRGUYRKSA-N 1 0 396.232 1.620 20 0 GDADRO COC(=O)N1CC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000276707944 531224053 /nfs/dbraw/zinc/22/40/53/531224053.db2.gz OPXKLGRAGUSGFD-UHFFFAOYSA-N 1 0 384.274 1.826 20 0 GDADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000433489742 531228040 /nfs/dbraw/zinc/22/80/40/531228040.db2.gz SABXXPVBBNJELP-HUUCEWRRSA-N 1 0 388.559 1.463 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)c(Cl)c1 ZINC000265100798 531228063 /nfs/dbraw/zinc/22/80/63/531228063.db2.gz SGROOHUKQXHLTA-UHFFFAOYSA-N 1 0 390.889 1.516 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)CC(C)(C)O)c1 ZINC000265099604 531228105 /nfs/dbraw/zinc/22/81/05/531228105.db2.gz DKTMEXKZTYCUKQ-UHFFFAOYSA-N 1 0 391.921 1.622 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(c3cnn(C)c(=O)c3Br)CC2)CC1 ZINC000433518709 531228854 /nfs/dbraw/zinc/22/88/54/531228854.db2.gz VJWXBCDJAUJGOZ-UHFFFAOYSA-N 1 0 398.349 1.538 20 0 GDADRO CC(C)OCCOC[C@H](O)C[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000265285980 531240116 /nfs/dbraw/zinc/24/01/16/531240116.db2.gz YNJAKABVEWSJJW-SJORKVTESA-N 1 0 375.893 1.814 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)C[C@@H]2C)cc[nH+]1 ZINC000349479319 531231698 /nfs/dbraw/zinc/23/16/98/531231698.db2.gz UQDCOZDEMIVBDU-JSGCOSHPSA-N 1 0 375.516 1.004 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000472578791 531233482 /nfs/dbraw/zinc/23/34/82/531233482.db2.gz GPUNZMOHXUCRPJ-UHFFFAOYSA-N 1 0 380.436 1.358 20 0 GDADRO 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GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000447252686 531423230 /nfs/dbraw/zinc/42/32/30/531423230.db2.gz SMUDUXBWRMCVJQ-OLZOCXBDSA-N 1 0 387.571 1.811 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Cc2cc(Br)ccc2F)CC[N@H+](C)C1 ZINC000413898169 531420972 /nfs/dbraw/zinc/42/09/72/531420972.db2.gz ICIUGNTYIXYZOH-LBPRGKRZSA-N 1 0 387.249 1.694 20 0 GDADRO CS[C@@H]1CN(CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484610603 531421316 /nfs/dbraw/zinc/42/13/16/531421316.db2.gz BFUVGNKBTKYEAA-ZWKOTPCHSA-N 1 0 384.567 1.981 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)CC[N@H+](C)C1 ZINC000413898023 531421805 /nfs/dbraw/zinc/42/18/05/531421805.db2.gz AZBFICFAEUBMFA-LLVKDONJSA-N 1 0 375.252 1.935 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)CC[N@H+](C)C1 ZINC000413898025 531422009 /nfs/dbraw/zinc/42/20/09/531422009.db2.gz AZBFICFAEUBMFA-NSHDSACASA-N 1 0 375.252 1.935 20 0 GDADRO C[C@H](C[NH3+])CNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000447244058 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GDADRO CC[C@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000485604052 531437362 /nfs/dbraw/zinc/43/73/62/531437362.db2.gz UWPRIMSSKAXVCK-JTQLQIEISA-N 1 0 378.420 1.940 20 0 GDADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)Nc1c(F)cc(F)cc1Br ZINC000447905327 531440689 /nfs/dbraw/zinc/44/06/89/531440689.db2.gz MACUREKGCXOYJV-VXGBXAGGSA-N 1 0 379.201 1.795 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000293765670 531441906 /nfs/dbraw/zinc/44/19/06/531441906.db2.gz XVXKBIIDAXLSMZ-MRXNPFEDSA-N 1 0 399.289 1.089 20 0 GDADRO O=C1COc2ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c3cccs3)cc2N1 ZINC000293688151 531437545 /nfs/dbraw/zinc/43/75/45/531437545.db2.gz SBBARXGDKFQRRG-GFCCVEGCSA-N 1 0 382.463 1.003 20 0 GDADRO CC[NH+](CC)CCN(C(=O)CC1CCSCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000534314117 531438535 /nfs/dbraw/zinc/43/85/35/531438535.db2.gz BLLBVLLWGOCODB-MRXNPFEDSA-N 1 0 376.588 1.877 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)s1 ZINC000486123088 531445896 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COC(=O)[C@H]1CN(Cc2cccc(I)c2)CC[N@H+](C)C1 ZINC000414490838 531458668 /nfs/dbraw/zinc/45/86/68/531458668.db2.gz OYXFNBKLNMISPE-CYBMUJFWSA-N 1 0 388.249 1.828 20 0 GDADRO OC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@H]1CCCOC1 ZINC000414569744 531459281 /nfs/dbraw/zinc/45/92/81/531459281.db2.gz ZSSJFJPUBCZLGF-SWLSCSKDSA-N 1 0 381.274 1.907 20 0 GDADRO C[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)CN1CCOCC1 ZINC000294059642 531460323 /nfs/dbraw/zinc/46/03/23/531460323.db2.gz KCZWJMCVKLSYQT-SUMWQHHRSA-N 1 0 384.318 1.708 20 0 GDADRO [NH3+]CC(=O)N1CCC[C@@H](CN2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000414670378 531461967 /nfs/dbraw/zinc/46/19/67/531461967.db2.gz DCVCSYOVOAZQQY-ZDUSSCGKSA-N 1 0 386.327 1.708 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000486858401 531463425 /nfs/dbraw/zinc/46/34/25/531463425.db2.gz OAAVZLJDCJSKDU-HNNXBMFYSA-N 1 0 387.571 1.919 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1CNC[C@H]1C[NH2+]CCN1C ZINC000414971595 531464414 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COC(=O)Cn1cc(C[NH2+]C[C@H](C)Oc2ccccc2Br)nn1 ZINC000449188098 531467904 /nfs/dbraw/zinc/46/79/04/531467904.db2.gz RPQTYMZWDZAFJI-NSHDSACASA-N 1 0 383.246 1.771 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363020826 531467907 /nfs/dbraw/zinc/46/79/07/531467907.db2.gz VTVDGLGJFQNNAD-KBPBESRZSA-N 1 0 385.917 1.751 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000415195091 531468170 /nfs/dbraw/zinc/46/81/70/531468170.db2.gz ZVOLPDFQKYKXNT-LLVKDONJSA-N 1 0 380.392 1.353 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000415348297 531477620 /nfs/dbraw/zinc/47/76/20/531477620.db2.gz ASPPAPFQGCYMSE-GFCCVEGCSA-N 1 0 395.301 1.795 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2I)C1 ZINC000415268099 531470483 /nfs/dbraw/zinc/47/04/83/531470483.db2.gz JIMLQBTXAIPKFC-VIFPVBQESA-N 1 0 391.184 1.319 20 0 GDADRO OCCC[N@@H+]1CCC[C@H]1CNCc1cn(-c2ccccc2Br)nn1 ZINC000449388011 531470575 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Cc1cc(NC(=O)C(=O)NCC[C@H](C)[NH3+])n(-c2cccc(Br)c2)n1 ZINC000415369008 531479870 /nfs/dbraw/zinc/47/98/70/531479870.db2.gz BEWYNVODDYKZNM-JTQLQIEISA-N 1 0 394.273 1.735 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000545984704 531493214 /nfs/dbraw/zinc/49/32/14/531493214.db2.gz OGCUFSAXCVZMBT-HZSPNIEDSA-N 1 0 389.543 1.620 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415373458 531480910 /nfs/dbraw/zinc/48/09/10/531480910.db2.gz HXECOFGQQVNWSU-NSHDSACASA-N 1 0 382.251 1.986 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000415376732 531481061 /nfs/dbraw/zinc/48/10/61/531481061.db2.gz LIWVXJZDVYKIET-LLVKDONJSA-N 1 0 387.221 1.406 20 0 GDADRO CCCN(C(=O)C(=O)Nc1cc(OC)ccc1Br)[C@H]1CC[NH2+]C1 ZINC000415386697 531481622 /nfs/dbraw/zinc/48/16/22/531481622.db2.gz CASSPWWSAYHZAV-NSHDSACASA-N 1 0 384.274 1.997 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415392503 531482232 /nfs/dbraw/zinc/48/22/32/531482232.db2.gz JIDQXPSIOGJJKK-MRVPVSSYSA-N 1 0 376.201 1.782 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000415415213 531484283 /nfs/dbraw/zinc/48/42/83/531484283.db2.gz HOIRIYXTLKYIQM-LLVKDONJSA-N 1 0 399.289 1.030 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)CC[NH2+]1 ZINC000415430295 531485012 /nfs/dbraw/zinc/48/50/12/531485012.db2.gz JJUCLFDJGPWPRA-LLVKDONJSA-N 1 0 392.257 1.394 20 0 GDADRO COc1cc(CC(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000450112782 531485112 /nfs/dbraw/zinc/48/51/12/531485112.db2.gz JNSPYEDRHGJLEH-CQSZACIVSA-N 1 0 388.917 1.468 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415429960 531485217 /nfs/dbraw/zinc/48/52/17/531485217.db2.gz BRVCDIXJMIGPHC-VIFPVBQESA-N 1 0 380.246 1.430 20 0 GDADRO CCOCCOc1ccc(Br)cc1NC(=O)N(C)C[C@@H](O)C[NH3+] ZINC000415439283 531485668 /nfs/dbraw/zinc/48/56/68/531485668.db2.gz DSIPYYMCIJDTJK-LBPRGKRZSA-N 1 0 390.278 1.648 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1I ZINC000415436446 531485747 /nfs/dbraw/zinc/48/57/47/531485747.db2.gz JPTCYCONOMMTIQ-JTQLQIEISA-N 1 0 375.210 1.329 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000488668278 531487408 /nfs/dbraw/zinc/48/74/08/531487408.db2.gz MDKNSMPAZILSCA-LLVKDONJSA-N 1 0 377.869 1.345 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)C1 ZINC000545158844 531488840 /nfs/dbraw/zinc/48/88/40/531488840.db2.gz TTXYRPCXARTTJS-QGZVFWFLSA-N 1 0 383.539 1.939 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC[C@H]1[NH3+] ZINC000415465196 531488939 /nfs/dbraw/zinc/48/89/39/531488939.db2.gz RXKWIROOEPRNBQ-RDDDGLTNSA-N 1 0 376.201 1.862 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000545160553 531488975 /nfs/dbraw/zinc/48/89/75/531488975.db2.gz VRAOJRNAEVUCAB-LBPRGKRZSA-N 1 0 383.695 1.447 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cccc(I)c1 ZINC000415488062 531489695 /nfs/dbraw/zinc/48/96/95/531489695.db2.gz LJXUAZLXXMHXOJ-UHFFFAOYSA-N 1 0 389.237 1.863 20 0 GDADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ncccc2Br)CC1 ZINC000280353711 531489790 /nfs/dbraw/zinc/48/97/90/531489790.db2.gz RKLBDFLIRRRJQV-UHFFFAOYSA-N 1 0 384.274 1.849 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Br)cnc2C)CC1 ZINC000415475227 531490289 /nfs/dbraw/zinc/49/02/89/531490289.db2.gz HPQAYYDIBIGSLQ-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CCCO1 ZINC000415481790 531490298 /nfs/dbraw/zinc/49/02/98/531490298.db2.gz KRMAKNWKQMALNN-GFCCVEGCSA-N 1 0 395.261 1.611 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415504868 531490620 /nfs/dbraw/zinc/49/06/20/531490620.db2.gz YGSNHQBVQBLLAI-LBPRGKRZSA-N 1 0 384.249 1.688 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C[C@@H](C)O1 ZINC000450256939 531490904 /nfs/dbraw/zinc/49/09/04/531490904.db2.gz SGRGXELDIJKKLM-KFWWJZLASA-N 1 0 381.489 1.393 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1I ZINC000415500702 531491174 /nfs/dbraw/zinc/49/11/74/531491174.db2.gz QOXNSBLOEIYDTC-JTQLQIEISA-N 1 0 389.237 1.863 20 0 GDADRO Cc1ccc(I)cc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415503227 531491285 /nfs/dbraw/zinc/49/12/85/531491285.db2.gz CZFMDCFYRUTTRG-GFCCVEGCSA-N 1 0 388.253 1.625 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCC[N@H+]1CC=CCC1 ZINC000280380084 531491516 /nfs/dbraw/zinc/49/15/16/531491516.db2.gz ZTRALLVSYTVPFB-UHFFFAOYSA-N 1 0 383.539 1.453 20 0 GDADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415521733 531491496 /nfs/dbraw/zinc/49/14/96/531491496.db2.gz LMJKXEQFCFQOEP-GFCCVEGCSA-N 1 0 382.262 1.477 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415543902 531492397 /nfs/dbraw/zinc/49/23/97/531492397.db2.gz FATQDSGOBHZKRN-UHFFFAOYSA-N 1 0 385.877 1.093 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415544563 531492640 /nfs/dbraw/zinc/49/26/40/531492640.db2.gz UHRATPPKWIDCSA-SFYZADRCSA-N 1 0 376.201 1.862 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)c(OC)cc2Br)C1 ZINC000294705446 531492970 /nfs/dbraw/zinc/49/29/70/531492970.db2.gz UAERHPBLDMQTLL-NSHDSACASA-N 1 0 387.274 1.917 20 0 GDADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415354070 531478342 /nfs/dbraw/zinc/47/83/42/531478342.db2.gz NDDQQEUIXBICGN-NSHDSACASA-N 1 0 384.274 1.982 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000415357985 531478379 /nfs/dbraw/zinc/47/83/79/531478379.db2.gz SRQBUYRDOAJPCJ-SNVBAGLBSA-N 1 0 382.251 1.925 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000415352098 531478390 /nfs/dbraw/zinc/47/83/90/531478390.db2.gz OYIJCVRXOPCWOR-WDEREUQCSA-N 1 0 384.274 1.901 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000415671800 531512231 /nfs/dbraw/zinc/51/22/31/531512231.db2.gz JXLXORXGNWKWEJ-BETUJISGSA-N 1 0 395.301 1.127 20 0 GDADRO O=C(CN1CCN([C@@H]2CC[NH2+]C2)CC1)NCCc1cccc(Cl)c1Cl ZINC000489930737 531514996 /nfs/dbraw/zinc/51/49/96/531514996.db2.gz DTIGPZDKHFOYTP-OAHLLOKOSA-N 1 0 385.339 1.632 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2c(C)nc3ccc(Br)cn32)C1 ZINC000280592732 531516015 /nfs/dbraw/zinc/51/60/15/531516015.db2.gz TYKSWFAUHMXBJT-ZDUSSCGKSA-N 1 0 381.274 1.856 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2ccc(C)cc2Br)CC[NH2+]CC1 ZINC000415710373 531517102 /nfs/dbraw/zinc/51/71/02/531517102.db2.gz QXQWCVJQFFATEX-UHFFFAOYSA-N 1 0 398.301 1.828 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2ccc(Br)cc2F)CCC[NH2+]1 ZINC000415703592 531517529 /nfs/dbraw/zinc/51/75/29/531517529.db2.gz FXZAODGJNVDGOM-HNNXBMFYSA-N 1 0 388.237 1.412 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415717503 531518633 /nfs/dbraw/zinc/51/86/33/531518633.db2.gz CNRGKJHVBGJAJB-KWQFWETISA-N 1 0 384.230 1.122 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415552612 531493878 /nfs/dbraw/zinc/49/38/78/531493878.db2.gz AAXVOPDPSPRLRQ-LURJTMIESA-N 1 0 397.163 1.361 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000268325405 531494677 /nfs/dbraw/zinc/49/46/77/531494677.db2.gz GMFZIVXWOWTPPG-UHFFFAOYSA-N 1 0 375.466 1.460 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1Br ZINC000415554366 531494826 /nfs/dbraw/zinc/49/48/26/531494826.db2.gz ALOAMQYAWDIBGZ-VHSXEESVSA-N 1 0 398.257 1.383 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415564038 531495281 /nfs/dbraw/zinc/49/52/81/531495281.db2.gz ZCIKNCWTTRVDDR-VIFPVBQESA-N 1 0 375.210 1.392 20 0 GDADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000489316996 531496877 /nfs/dbraw/zinc/49/68/77/531496877.db2.gz AOQSRECYTFISIH-MRXNPFEDSA-N 1 0 376.567 1.084 20 0 GDADRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435225 531497244 /nfs/dbraw/zinc/49/72/44/531497244.db2.gz BOWUPNSRYBDXLK-JTQLQIEISA-N 1 0 392.319 1.519 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000415578625 531497371 /nfs/dbraw/zinc/49/73/71/531497371.db2.gz PIPDHSOPPJAWHP-ZJUUUORDSA-N 1 0 398.257 1.370 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415580695 531498844 /nfs/dbraw/zinc/49/88/44/531498844.db2.gz RKQXRQPYXXVFDN-MNOVXSKESA-N 1 0 384.274 1.982 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000635613777 531499264 /nfs/dbraw/zinc/49/92/64/531499264.db2.gz RVMFITIVBGRBOZ-MCIONIFRSA-N 1 0 382.448 1.544 20 0 GDADRO COC(=O)c1c(Br)ccc(NC(=O)NC[C@@H]2C[NH2+]CCO2)c1C ZINC000415594805 531500016 /nfs/dbraw/zinc/50/00/16/531500016.db2.gz GNDJOJIKFSFWBF-JTQLQIEISA-N 1 0 386.246 1.654 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)NCC2=CC[NH2+]CC2)cc1Br ZINC000415600614 531501851 /nfs/dbraw/zinc/50/18/51/531501851.db2.gz UAKBSHATNWAYHQ-UHFFFAOYSA-N 1 0 398.257 1.441 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415610691 531503325 /nfs/dbraw/zinc/50/33/25/531503325.db2.gz INNRRXXWPKKUSV-HQJQHLMTSA-N 1 0 376.201 1.780 20 0 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C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415780175 531528122 /nfs/dbraw/zinc/52/81/22/531528122.db2.gz KEKFRXUHKMWLIK-SECBINFHSA-N 1 0 375.210 1.473 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(OC)ccc2Br)C1 ZINC000658776928 531529748 /nfs/dbraw/zinc/52/97/48/531529748.db2.gz CULDQIZFUVDCDV-NSHDSACASA-N 1 0 384.274 1.997 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000636001165 531530365 /nfs/dbraw/zinc/53/03/65/531530365.db2.gz WLGQMFPADUPXIZ-CYBMUJFWSA-N 1 0 396.333 1.876 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280722638 531531599 /nfs/dbraw/zinc/53/15/99/531531599.db2.gz FWYLWNCZKXWABF-ZBFHGGJFSA-N 1 0 376.544 1.388 20 0 GDADRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280767292 531537640 /nfs/dbraw/zinc/53/76/40/531537640.db2.gz FYJJJMLEZKVFRY-HBNTYKKESA-N 1 0 397.324 1.936 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415826200 531537784 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Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)cc2s1 ZINC000415844726 531542451 /nfs/dbraw/zinc/54/24/51/531542451.db2.gz ZOSCATDTALDYBH-SNVBAGLBSA-N 1 0 382.873 1.691 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415859229 531545123 /nfs/dbraw/zinc/54/51/23/531545123.db2.gz MRDYWJNORMGOHM-UHFFFAOYSA-N 1 0 376.201 1.924 20 0 GDADRO Cn1ccnc1[C@@H]1N(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1(C)C ZINC000295228024 531545132 /nfs/dbraw/zinc/54/51/32/531545132.db2.gz ICXYZLSCXBFJMH-AWEZNQCLSA-N 1 0 383.495 1.595 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCO1 ZINC000415861044 531545187 /nfs/dbraw/zinc/54/51/87/531545187.db2.gz OFVJKCHGJXUUGQ-SNVBAGLBSA-N 1 0 377.775 1.456 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Br ZINC000415856609 531545234 /nfs/dbraw/zinc/54/52/34/531545234.db2.gz FTPIDXZCKSCHRM-LBPRGKRZSA-N 1 0 384.274 1.581 20 0 GDADRO O=S(=O)(NCCN1CCC(O)CC1)c1ccc(F)c(Br)c1 ZINC000295248434 531548181 /nfs/dbraw/zinc/54/81/81/531548181.db2.gz 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CC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 ZINC000582058359 531533198 /nfs/dbraw/zinc/53/31/98/531533198.db2.gz XVUQXIBKPRGYIX-HIFRSBDPSA-N 1 0 391.295 1.960 20 0 GDADRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 ZINC000582058361 531533761 /nfs/dbraw/zinc/53/37/61/531533761.db2.gz XVUQXIBKPRGYIX-ZFWWWQNUSA-N 1 0 391.295 1.960 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000415806769 531534346 /nfs/dbraw/zinc/53/43/46/531534346.db2.gz LZWPOFOIAPCXHW-RITPCOANSA-N 1 0 397.163 1.360 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659681142 531553151 /nfs/dbraw/zinc/55/31/51/531553151.db2.gz PKXYEGTXRSGQFX-DTVQEZCTSA-N 1 0 394.313 1.755 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000582127882 531535037 /nfs/dbraw/zinc/53/50/37/531535037.db2.gz OAKZQKPWQHGCDS-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(Br)c1 ZINC000280754150 531535489 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GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000659744868 531558779 /nfs/dbraw/zinc/55/87/79/531558779.db2.gz RERUXXFMCLFZFY-OAHLLOKOSA-N 1 0 384.318 1.940 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000659756433 531559372 /nfs/dbraw/zinc/55/93/72/531559372.db2.gz RIZCBXBIGGNZCU-QWRGUYRKSA-N 1 0 376.284 1.943 20 0 GDADRO CS(=O)(=O)CCS(=O)(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000364381310 531559699 /nfs/dbraw/zinc/55/96/99/531559699.db2.gz FRDCVMASGWWKMW-IRXDYDNUSA-N 1 0 388.555 1.033 20 0 GDADRO CCC[NH+](CCC)CCCNC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000492061851 531560196 /nfs/dbraw/zinc/56/01/96/531560196.db2.gz CKIQTRVABUCCGF-UHFFFAOYSA-N 1 0 376.567 1.469 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000636570248 531563368 /nfs/dbraw/zinc/56/33/68/531563368.db2.gz IIGQSTAESBLAPB-CQSZACIVSA-N 1 0 394.313 1.974 20 0 GDADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3sc(C)nc3C)CC2)CC1 ZINC000583140917 531566278 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COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000591327012 531714482 /nfs/dbraw/zinc/71/44/82/531714482.db2.gz XDFJXHLVICQQCM-ZYHUDNBSSA-N 1 0 376.862 1.124 20 0 GDADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000591327010 531715184 /nfs/dbraw/zinc/71/51/84/531715184.db2.gz XDFJXHLVICQQCM-JQWIXIFHSA-N 1 0 376.862 1.124 20 0 GDADRO C[C@@]1(NC(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[NH2+]C1 ZINC000663609078 531716197 /nfs/dbraw/zinc/71/61/97/531716197.db2.gz QIZCROFRMYCUOK-MRXNPFEDSA-N 1 0 377.242 1.804 20 0 GDADRO CN(CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)S(=O)(=O)c1cccs1 ZINC000269698651 531717060 /nfs/dbraw/zinc/71/70/60/531717060.db2.gz PGVDXCVYTJGALM-OAHLLOKOSA-N 1 0 385.555 1.892 20 0 GDADRO CS(=O)(=O)CC[C@H]1CCCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000366190455 531718635 /nfs/dbraw/zinc/71/86/35/531718635.db2.gz SOSDFHWKRXAWSE-MRXNPFEDSA-N 1 0 375.535 1.098 20 0 GDADRO COC[C@@]1(CO)CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000451934045 531719576 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GDADRO CC(C)[NH+](CCCNC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21)C(C)C ZINC000416700018 531739207 /nfs/dbraw/zinc/73/92/07/531739207.db2.gz XJIMMSMDGCADHI-HOTGVXAUSA-N 1 0 375.535 1.093 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000416919015 531746062 /nfs/dbraw/zinc/74/60/62/531746062.db2.gz PYYOALFIOIHQHY-CHWSQXEVSA-N 1 0 388.559 1.657 20 0 GDADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N[C@H]1CC12CC[NH2+]CC2 ZINC000366469388 531748947 /nfs/dbraw/zinc/74/89/47/531748947.db2.gz GNDIHOAOHTVSGJ-AWEZNQCLSA-N 1 0 398.276 1.966 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000562064256 531733840 /nfs/dbraw/zinc/73/38/40/531733840.db2.gz JZPBCXQLDQNSCP-AWEZNQCLSA-N 1 0 376.544 1.630 20 0 GDADRO C[C@@H](C(=O)NCc1cccs1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000282420261 531752290 /nfs/dbraw/zinc/75/22/90/531752290.db2.gz CQUGHJJZDOSMER-AWEZNQCLSA-N 1 0 385.555 1.643 20 0 GDADRO CCN(CC(=O)Nc1ccc(I)cc1)[C@H]1CCNC1=O ZINC000282424512 531752338 /nfs/dbraw/zinc/75/23/38/531752338.db2.gz QZCUAGXLPSSBEL-LBPRGKRZSA-N 1 0 387.221 1.440 20 0 GDADRO O=C1NCCC[C@@H]1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000666186853 531754650 /nfs/dbraw/zinc/75/46/50/531754650.db2.gz VTFOXPQSGSPXRX-MFKMUULPSA-N 1 0 387.299 1.783 20 0 GDADRO C[C@H]1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000417210606 531759046 /nfs/dbraw/zinc/75/90/46/531759046.db2.gz RCNFZYDXCIZCJE-JSGCOSHPSA-N 1 0 397.317 1.805 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000282469461 531759123 /nfs/dbraw/zinc/75/91/23/531759123.db2.gz GKSDKSHYKVIORW-CYBMUJFWSA-N 1 0 394.273 1.395 20 0 GDADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000562524326 531761091 /nfs/dbraw/zinc/76/10/91/531761091.db2.gz OEAZEYHBSUSPRL-PWSUYJOCSA-N 1 0 375.238 1.850 20 0 GDADRO COCC[NH2+]CCc1cn(CC(=O)Nc2ccccc2Br)nn1 ZINC000640769865 531762894 /nfs/dbraw/zinc/76/28/94/531762894.db2.gz MNGNKIQQMRPEJZ-UHFFFAOYSA-N 1 0 382.262 1.458 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366606442 531763084 /nfs/dbraw/zinc/76/30/84/531763084.db2.gz HFJDRLQOKPOPKZ-UHFFFAOYSA-N 1 0 381.274 1.916 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C1(c2cncc(Br)c2)CC1 ZINC000562557289 531764022 /nfs/dbraw/zinc/76/40/22/531764022.db2.gz XLOGKOUJGBZPAV-HNNXBMFYSA-N 1 0 382.302 1.839 20 0 GDADRO C[NH+](C)CCc1cn(Cc2cc(=O)n3cc(Br)ccc3n2)nn1 ZINC000640796371 531764197 /nfs/dbraw/zinc/76/41/97/531764197.db2.gz YRTNWPJVGGZYMQ-UHFFFAOYSA-N 1 0 377.246 1.201 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622014569 531764942 /nfs/dbraw/zinc/76/49/42/531764942.db2.gz HSTYSKIXOGRXJD-BZNIZROVSA-N 1 0 387.889 1.809 20 0 GDADRO C[NH+](C)C1(CNC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CCCC1 ZINC000269801105 531764934 /nfs/dbraw/zinc/76/49/34/531764934.db2.gz RACIWCWQLGLTPC-CYBMUJFWSA-N 1 0 389.543 1.056 20 0 GDADRO COCCOCCS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000269771624 531751386 /nfs/dbraw/zinc/75/13/86/531751386.db2.gz LKRGMNBBKVGDBJ-UHFFFAOYSA-N 1 0 376.544 1.543 20 0 GDADRO [NH3+]C[C@H](O)CCc1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641120111 531780185 /nfs/dbraw/zinc/78/01/85/531780185.db2.gz AJNJPJQPPWAWPV-CYBMUJFWSA-N 1 0 397.273 1.502 20 0 GDADRO Cc1nc2cc(Br)cc(NC(=O)NCC(=O)N3CC[NH2+]CC3)c2o1 ZINC000667402305 531780484 /nfs/dbraw/zinc/78/04/84/531780484.db2.gz AUNQJJCUHBZZFN-UHFFFAOYSA-N 1 0 396.245 1.452 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000562816527 531780685 /nfs/dbraw/zinc/78/06/85/531780685.db2.gz UHDMGBOQLRFZPQ-ZIAGYGMSSA-N 1 0 381.274 1.384 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000562806985 531781115 /nfs/dbraw/zinc/78/11/15/531781115.db2.gz QRAMUKIWJZSKAI-OCCSQVGLSA-N 1 0 386.327 1.775 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000667671772 531782770 /nfs/dbraw/zinc/78/27/70/531782770.db2.gz KIOQUQHDMVUNMA-GFCCVEGCSA-N 1 0 398.305 1.944 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1Cl ZINC000562825554 531782911 /nfs/dbraw/zinc/78/29/11/531782911.db2.gz IPGARRIVGZVIGI-BBRMVZONSA-N 1 0 388.917 1.645 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297332798 531782951 /nfs/dbraw/zinc/78/29/51/531782951.db2.gz NCPSROYMMWXIHU-UHFFFAOYSA-N 1 0 385.266 1.582 20 0 GDADRO CO[C@H]1CCN(C(=O)NCCOc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000417320200 531767050 /nfs/dbraw/zinc/76/70/50/531767050.db2.gz OZURBBFZDDGFLT-ZFWWWQNUSA-N 1 0 386.290 1.976 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417428072 531770294 /nfs/dbraw/zinc/77/02/94/531770294.db2.gz HEBHWHONFXWGEJ-CQSZACIVSA-N 1 0 383.290 1.702 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000417433345 531770387 /nfs/dbraw/zinc/77/03/87/531770387.db2.gz VGRIHXBIQMAYHK-HNNXBMFYSA-N 1 0 383.334 1.930 20 0 GDADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417436639 531770766 /nfs/dbraw/zinc/77/07/66/531770766.db2.gz PBXVVTCUSLYIGF-QWHCGFSZSA-N 1 0 397.317 1.961 20 0 GDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2N)c2ccccc2O1 ZINC000366707927 531770820 /nfs/dbraw/zinc/77/08/20/531770820.db2.gz IUZJPRLCYLSCIU-LBPRGKRZSA-N 1 0 382.873 1.835 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417438848 531771963 /nfs/dbraw/zinc/77/19/63/531771963.db2.gz RRSVRXFZLWNTAD-CYBMUJFWSA-N 1 0 397.317 1.820 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452347389 531773136 /nfs/dbraw/zinc/77/31/36/531773136.db2.gz IPHHRILHSFGINH-OAHLLOKOSA-N 1 0 398.301 1.142 20 0 GDADRO COc1ccc(Br)c(Cn2cc(Cn3cc(C[NH3+])cn3)nn2)c1 ZINC000641058199 531775598 /nfs/dbraw/zinc/77/55/98/531775598.db2.gz LSQGOQDOSRHCLP-UHFFFAOYSA-N 1 0 377.246 1.801 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)NCC[NH2+]C2CC2)cc1Br ZINC000667293396 531775919 /nfs/dbraw/zinc/77/59/19/531775919.db2.gz ZMJMXTFYSTVZNC-UHFFFAOYSA-N 1 0 386.246 1.273 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@H]1COc2ccc(Br)cc21 ZINC000452376041 531776036 /nfs/dbraw/zinc/77/60/36/531776036.db2.gz YPFVZBFONOXVBZ-HIFRSBDPSA-N 1 0 383.286 1.888 20 0 GDADRO Cc1csc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1I ZINC000592308541 531777062 /nfs/dbraw/zinc/77/70/62/531777062.db2.gz OCKYNOYKQQVXDR-BDAKNGLRSA-N 1 0 380.251 1.849 20 0 GDADRO C[C@@H]1CCCN1C(=O)CC[N@@H+]1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000512805489 531800739 /nfs/dbraw/zinc/80/07/39/531800739.db2.gz HNJDFYUBZRKGLR-JHJVBQTASA-N 1 0 385.452 1.142 20 0 GDADRO [NH3+][C@@H](c1cn(Cc2ncnn2CCF)nn1)c1ccc(Br)cc1 ZINC000641167109 531783668 /nfs/dbraw/zinc/78/36/68/531783668.db2.gz BQEBQLNACCJYPC-CQSZACIVSA-N 1 0 380.225 1.698 20 0 GDADRO COCCOCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000269851419 531784036 /nfs/dbraw/zinc/78/40/36/531784036.db2.gz IWXMGQUEVGYMFR-UHFFFAOYSA-N 1 0 380.457 1.321 20 0 GDADRO C[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[C@@H](C)[C@H]1[NH3+] ZINC000297347696 531784589 /nfs/dbraw/zinc/78/45/89/531784589.db2.gz JAMSIKJIFAUCBC-DCGLDWPTSA-N 1 0 385.555 1.659 20 0 GDADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000622811217 531784779 /nfs/dbraw/zinc/78/47/79/531784779.db2.gz OAMKIFJQKBQROS-UHFFFAOYSA-N 1 0 381.278 1.839 20 0 GDADRO CN(C(=O)c1ccc(Br)cc1-n1cnnn1)[C@H]1CCC[N@H+](C)C1 ZINC000622813378 531785183 /nfs/dbraw/zinc/78/51/83/531785183.db2.gz WRKHNTBRVLSAHZ-LBPRGKRZSA-N 1 0 379.262 1.591 20 0 GDADRO C[C@H](CNC(=O)NCCCN1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000417785525 531785357 /nfs/dbraw/zinc/78/53/57/531785357.db2.gz DFTQFKIAKKTEDN-CQSZACIVSA-N 1 0 399.333 1.811 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Br)c2c(c1)OCCO2 ZINC000592434828 531785626 /nfs/dbraw/zinc/78/56/26/531785626.db2.gz OJXCSVLOZOCZFO-ZDUSSCGKSA-N 1 0 385.258 1.557 20 0 GDADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)NC[C@@H]1CCC[NH2+]1 ZINC000417741743 531785906 /nfs/dbraw/zinc/78/59/06/531785906.db2.gz ZKQXHXZJCGBFPE-LBPRGKRZSA-N 1 0 379.262 1.785 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)CCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417803837 531786613 /nfs/dbraw/zinc/78/66/13/531786613.db2.gz FVPWWGYKMHGOKI-SNVBAGLBSA-N 1 0 378.807 1.959 20 0 GDADRO CC(C)c1nnc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000417851270 531787545 /nfs/dbraw/zinc/78/75/45/531787545.db2.gz FRRPKWKSXDXODP-SNVBAGLBSA-N 1 0 380.440 1.297 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417903285 531788378 /nfs/dbraw/zinc/78/83/78/531788378.db2.gz YLOKUUYEFJWNNE-AWEZNQCLSA-N 1 0 383.334 1.975 20 0 GDADRO O=C(NCc1ccc(Br)cc1N1CCOCC1)NC1CC[NH2+]CC1 ZINC000417914106 531789897 /nfs/dbraw/zinc/78/98/97/531789897.db2.gz QUYRQVDGVZGSIL-UHFFFAOYSA-N 1 0 397.317 1.837 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000562955208 531790674 /nfs/dbraw/zinc/79/06/74/531790674.db2.gz MUNRHHCXJVTKLZ-UHFFFAOYSA-N 1 0 388.287 1.065 20 0 GDADRO O=C(c1ccccc1I)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000592478109 531790872 /nfs/dbraw/zinc/79/08/72/531790872.db2.gz XPWQRAMHWWTVTM-CYBMUJFWSA-N 1 0 399.276 1.659 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)Nc1ccccc1I ZINC000592486479 531791442 /nfs/dbraw/zinc/79/14/42/531791442.db2.gz GOPIVSTVMSUSGF-QWRGUYRKSA-N 1 0 391.228 1.862 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623020811 531792621 /nfs/dbraw/zinc/79/26/21/531792621.db2.gz VGEABEPWPVGOCZ-QMTHXVAHSA-N 1 0 391.273 1.637 20 0 GDADRO CCOC(=O)c1cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)[nH]n1 ZINC000592505414 531792740 /nfs/dbraw/zinc/79/27/40/531792740.db2.gz MPZBRJSKOKBGDY-UHFFFAOYSA-N 1 0 395.257 1.869 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000562980280 531794522 /nfs/dbraw/zinc/79/45/22/531794522.db2.gz PLDHASHLANGPTK-YPMHNXCESA-N 1 0 393.285 1.793 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N3CC[C@@H]([NH3+])C3)C2=O)ccc1Br ZINC000418012463 531796655 /nfs/dbraw/zinc/79/66/55/531796655.db2.gz MBAJCGQNJPOJMM-BXUZGUMPSA-N 1 0 381.274 1.605 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH3+])C2=O)ccc1Br ZINC000418019823 531796838 /nfs/dbraw/zinc/79/68/38/531796838.db2.gz YMTCMMNNEXPKNC-SUNKGSAMSA-N 1 0 383.290 1.898 20 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/nfs/dbraw/zinc/79/78/93/531797893.db2.gz SXBALTPGSJDASP-ZDUSSCGKSA-N 1 0 375.256 1.061 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000512277331 531798220 /nfs/dbraw/zinc/79/82/20/531798220.db2.gz GPNWIXIKFSJGQJ-NWDGAFQWSA-N 1 0 383.297 1.486 20 0 GDADRO COC[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)OC ZINC000641300616 531798796 /nfs/dbraw/zinc/79/87/96/531798796.db2.gz DMHADUZYGPKKBU-HNNXBMFYSA-N 1 0 380.457 1.320 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)C[C@@]2(C)CC2(F)F)CC1 ZINC000641310574 531802253 /nfs/dbraw/zinc/80/22/53/531802253.db2.gz PRBZVOQGKCLTIT-BZUAXINKSA-N 1 0 379.517 1.852 20 0 GDADRO COC[C@]1(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CCC[NH2+]1 ZINC000418276281 531818531 /nfs/dbraw/zinc/81/85/31/531818531.db2.gz ZZXBRUNVMDAJGH-MRXNPFEDSA-N 1 0 396.289 1.893 20 0 GDADRO CCC[NH+](CCC)CCCNC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000514021171 531803938 /nfs/dbraw/zinc/80/39/38/531803938.db2.gz WZEOKIQRFVWEAR-UHFFFAOYSA-N 1 0 376.567 1.469 20 0 GDADRO Cc1cc(CNC(=O)N2CCO[C@H](C[NH3+])C2)ccc1I ZINC000418135511 531804109 /nfs/dbraw/zinc/80/41/09/531804109.db2.gz AVKXHEVKQISWMQ-GFCCVEGCSA-N 1 0 389.237 1.469 20 0 GDADRO O=C(NCCCCn1cc(Br)cn1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000418111094 531804296 /nfs/dbraw/zinc/80/42/96/531804296.db2.gz XHLVNQBHLJBAFK-OAHLLOKOSA-N 1 0 399.337 1.115 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418148087 531804724 /nfs/dbraw/zinc/80/47/24/531804724.db2.gz NJLOSZQTHKNMQL-GXTWGEPZSA-N 1 0 388.921 1.306 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000418146638 531805224 /nfs/dbraw/zinc/80/52/24/531805224.db2.gz PNYNXHKJNYZVSC-OAHLLOKOSA-N 1 0 397.317 1.647 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000418152872 531806132 /nfs/dbraw/zinc/80/61/32/531806132.db2.gz VQGRMVQAIRQQOK-OLZOCXBDSA-N 1 0 388.921 1.578 20 0 GDADRO CCN(C(=O)C(=O)NCc1ccc(OC)c(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000668770967 531807280 /nfs/dbraw/zinc/80/72/80/531807280.db2.gz RFMXDXYLIALLGA-CYBMUJFWSA-N 1 0 398.301 1.627 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC[NH2+]1 ZINC000418153761 531807398 /nfs/dbraw/zinc/80/73/98/531807398.db2.gz JBOKXBFAHCQDQJ-PWSUYJOCSA-N 1 0 392.884 1.197 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(F)c1I ZINC000563133000 531810489 /nfs/dbraw/zinc/81/04/89/531810489.db2.gz YJYIALWUZAJLOZ-SFYZADRCSA-N 1 0 393.200 1.611 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCc2ccsc2Br)C1 ZINC000418165260 531810866 /nfs/dbraw/zinc/81/08/66/531810866.db2.gz YDAVELJRXWRIMB-NSHDSACASA-N 1 0 389.319 1.507 20 0 GDADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641380908 531811857 /nfs/dbraw/zinc/81/18/57/531811857.db2.gz GIHWEFIUJINNJG-LLVKDONJSA-N 1 0 388.291 1.207 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418177329 531811924 /nfs/dbraw/zinc/81/19/24/531811924.db2.gz DCKDJMSPKKDMEK-CYBMUJFWSA-N 1 0 388.921 1.226 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000418170938 531812041 /nfs/dbraw/zinc/81/20/41/531812041.db2.gz STEHNFUDNDYULT-SNVBAGLBSA-N 1 0 395.312 1.275 20 0 GDADRO CCC[NH2+]CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418169552 531812368 /nfs/dbraw/zinc/81/23/68/531812368.db2.gz QHABREIQQWBIPL-UHFFFAOYSA-N 1 0 397.328 1.571 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000418174705 531813281 /nfs/dbraw/zinc/81/32/81/531813281.db2.gz RSYDMRDOSXINCW-GFCCVEGCSA-N 1 0 378.445 1.060 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453206615 531813605 /nfs/dbraw/zinc/81/36/05/531813605.db2.gz ICSUENBCJKQCRD-SJORKVTESA-N 1 0 389.949 1.852 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000563158543 531813835 /nfs/dbraw/zinc/81/38/35/531813835.db2.gz DFHKOPKCESKFCC-ZJUUUORDSA-N 1 0 380.297 1.467 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000563158207 531814127 /nfs/dbraw/zinc/81/41/27/531814127.db2.gz KMKYFFXZUDTTBS-MRVPVSSYSA-N 1 0 387.811 1.348 20 0 GDADRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC[C@H]1[NH3+] ZINC000418179940 531814531 /nfs/dbraw/zinc/81/45/31/531814531.db2.gz YCKJDYQYVMTASN-ZWNOBZJWSA-N 1 0 392.884 1.136 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1nn(C)cc1I ZINC000418266341 531818109 /nfs/dbraw/zinc/81/81/09/531818109.db2.gz VLNWJTVSQAJZRX-JTQLQIEISA-N 1 0 391.257 1.308 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000418388314 531823281 /nfs/dbraw/zinc/82/32/81/531823281.db2.gz NGKWYYMBHHBGIY-BXUZGUMPSA-N 1 0 383.290 1.487 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000418393003 531824436 /nfs/dbraw/zinc/82/44/36/531824436.db2.gz QMCUACXOJYAMIY-JTQLQIEISA-N 1 0 380.440 1.634 20 0 GDADRO CN(C)S(=O)(=O)N1CC([NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000623794487 531825142 /nfs/dbraw/zinc/82/51/42/531825142.db2.gz VYFFGFFELPOPHX-GFCCVEGCSA-N 1 0 388.331 1.387 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)COc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000623837203 531826469 /nfs/dbraw/zinc/82/64/69/531826469.db2.gz IRWGRLLCIGXMNC-AWEZNQCLSA-N 1 0 383.495 1.193 20 0 GDADRO Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCN(S(C)(=O)=O)C3)CC2)s1 ZINC000367298457 531826791 /nfs/dbraw/zinc/82/67/91/531826791.db2.gz KYSQNCDRBWRQRR-CQSZACIVSA-N 1 0 385.555 1.532 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000418283956 531819488 /nfs/dbraw/zinc/81/94/88/531819488.db2.gz AICOBADFMYQYGN-OAHLLOKOSA-N 1 0 395.301 1.774 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418293961 531820730 /nfs/dbraw/zinc/82/07/30/531820730.db2.gz FNQSBQMYJGAEBR-UHFFFAOYSA-N 1 0 399.333 1.894 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000418305910 531821462 /nfs/dbraw/zinc/82/14/62/531821462.db2.gz PUJDYWBKNORHDR-MRXNPFEDSA-N 1 0 395.345 1.928 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000418619450 531833311 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20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)N(CCO)Cc1ccc(Br)s1 ZINC000418764572 531837687 /nfs/dbraw/zinc/83/76/87/531837687.db2.gz KRVMTKCCWNALHD-SNVBAGLBSA-N 1 0 378.292 1.003 20 0 GDADRO COCCN(Cc1sccc1Br)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418755143 531837937 /nfs/dbraw/zinc/83/79/37/531837937.db2.gz BPJJXSLYFZKAJA-NSHDSACASA-N 1 0 392.319 1.657 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)C2CCC2)c(C)c[nH+]1 ZINC000563429858 531838556 /nfs/dbraw/zinc/83/85/56/531838556.db2.gz INDZGRAODYORCW-UHFFFAOYSA-N 1 0 375.516 1.066 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000418778366 531839242 /nfs/dbraw/zinc/83/92/42/531839242.db2.gz IQKUITLJYZIPMV-IAQYHMDHSA-N 1 0 398.301 1.802 20 0 GDADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000624371312 531839393 /nfs/dbraw/zinc/83/93/93/531839393.db2.gz KHRGNGOXZQIZDK-JTQLQIEISA-N 1 0 381.267 1.635 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000624363794 531839403 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ZINC000418832179 531849639 /nfs/dbraw/zinc/84/96/39/531849639.db2.gz LTENLYAWWZRKKX-MMMKDXCPSA-N 1 0 380.286 1.617 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2Br)C1 ZINC000418832126 531849787 /nfs/dbraw/zinc/84/97/87/531849787.db2.gz YYINBNSIIGWPFM-PWSUYJOCSA-N 1 0 386.265 1.790 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418834064 531849868 /nfs/dbraw/zinc/84/98/68/531849868.db2.gz RBJQSOLGGYWQEX-DZGBDDFRSA-N 1 0 380.286 1.535 20 0 GDADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000563535475 531849948 /nfs/dbraw/zinc/84/99/48/531849948.db2.gz WRARCIAVFAJFRO-ZDUSSCGKSA-N 1 0 376.320 1.248 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418839984 531850830 /nfs/dbraw/zinc/85/08/30/531850830.db2.gz DJZZLEATJGPDFY-UHFFFAOYSA-N 1 0 381.274 1.267 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000418847640 531852869 /nfs/dbraw/zinc/85/28/69/531852869.db2.gz VXJPDGYEAZXDNX-YWPYICTPSA-N 1 0 382.302 1.692 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000418847641 531852979 /nfs/dbraw/zinc/85/29/79/531852979.db2.gz VXJPDGYEAZXDNX-ZOWXZIJZSA-N 1 0 382.302 1.692 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418856815 531855566 /nfs/dbraw/zinc/85/55/66/531855566.db2.gz QIKFTHIVCZYLBZ-UHFFFAOYSA-N 1 0 382.302 1.880 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000418848650 531854965 /nfs/dbraw/zinc/85/49/65/531854965.db2.gz ZLQUEXMWGMJJJV-NFAWXSAZSA-N 1 0 396.329 1.940 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000418784665 531841168 /nfs/dbraw/zinc/84/11/68/531841168.db2.gz PZEWILHOYRNAEM-HZMBPMFUSA-N 1 0 384.274 1.270 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000418788943 531841344 /nfs/dbraw/zinc/84/13/44/531841344.db2.gz WCZCJJYAWJVQNM-VZJVUDMVSA-N 1 0 396.285 1.270 20 0 GDADRO COc1ccc(OC)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000624390136 531841487 /nfs/dbraw/zinc/84/14/87/531841487.db2.gz VUWJPQAAIKQNCG-ZYHUDNBSSA-N 1 0 382.404 1.852 20 0 GDADRO CCN(CC[NH3+])S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000624382375 531841609 /nfs/dbraw/zinc/84/16/09/531841609.db2.gz ZKOSINVYFZMZEW-UHFFFAOYSA-N 1 0 389.543 1.139 20 0 GDADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)N(C)C)cc1Cl ZINC000298014202 531841696 /nfs/dbraw/zinc/84/16/96/531841696.db2.gz CQSIJXACSVUIRO-LBPRGKRZSA-N 1 0 376.910 1.351 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000624395939 531842428 /nfs/dbraw/zinc/84/24/28/531842428.db2.gz VNWDGIYVZQYGPH-UHFFFAOYSA-N 1 0 381.292 1.314 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000270214920 531842393 /nfs/dbraw/zinc/84/23/93/531842393.db2.gz RMOVGZRLCRWAEB-UHFFFAOYSA-N 1 0 399.289 1.134 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000624405106 531842515 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O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCc1ccc(F)cc1Br ZINC000418812727 531845174 /nfs/dbraw/zinc/84/51/74/531845174.db2.gz IWJNMBNFTSGXNQ-LLVKDONJSA-N 1 0 386.265 1.710 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418823724 531846062 /nfs/dbraw/zinc/84/60/62/531846062.db2.gz IPUNIZADZHKGMC-OBCWZRDOSA-N 1 0 380.286 1.678 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccccc1Br ZINC000418825623 531847588 /nfs/dbraw/zinc/84/75/88/531847588.db2.gz AJJJREREFYGXAN-AVGNSLFASA-N 1 0 380.286 1.694 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418827362 531848321 /nfs/dbraw/zinc/84/83/21/531848321.db2.gz GVZYBSXOKWMALZ-DAYGRLMNSA-N 1 0 392.297 1.633 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000418932569 531865906 /nfs/dbraw/zinc/86/59/06/531865906.db2.gz HXEHFVDJOAAECS-ZWNOBZJWSA-N 1 0 384.274 1.295 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[NH2+]C)cc(Br)c1C ZINC000595118950 531865935 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C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418944373 531868914 /nfs/dbraw/zinc/86/89/14/531868914.db2.gz NRGJSOCTVRABGO-WKPIXPDZSA-N 1 0 380.286 1.667 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000454567809 531856090 /nfs/dbraw/zinc/85/60/90/531856090.db2.gz BUQDSDJMIGBNCU-CYBMUJFWSA-N 1 0 385.306 1.642 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000418861029 531857459 /nfs/dbraw/zinc/85/74/59/531857459.db2.gz DXFDNGXAZKGRAR-WCQYABFASA-N 1 0 385.306 1.853 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000418860367 531857822 /nfs/dbraw/zinc/85/78/22/531857822.db2.gz DXMOWANFOAEDOM-OLZOCXBDSA-N 1 0 395.301 1.094 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000642506514 531859997 /nfs/dbraw/zinc/85/99/97/531859997.db2.gz SXEQOBJTTUVMSD-PWSUYJOCSA-N 1 0 388.331 1.755 20 0 GDADRO CCOC1(CS(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000624860773 531861213 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CC(C)[NH2+]CCCNS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000564958228 531870824 /nfs/dbraw/zinc/87/08/24/531870824.db2.gz WCSBHQGFJBGFGY-UHFFFAOYSA-N 1 0 382.935 1.551 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418950515 531870946 /nfs/dbraw/zinc/87/09/46/531870946.db2.gz PCUXPBIZELZQCZ-RYUDHWBXSA-N 1 0 384.274 1.140 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418950513 531870979 /nfs/dbraw/zinc/87/09/79/531870979.db2.gz PCUXPBIZELZQCZ-NEPJUHHUSA-N 1 0 384.274 1.140 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000595244364 531871835 /nfs/dbraw/zinc/87/18/35/531871835.db2.gz JVZKXNCUGCZHQR-LURJTMIESA-N 1 0 397.163 1.232 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])ccc1Br ZINC000595239612 531871877 /nfs/dbraw/zinc/87/18/77/531871877.db2.gz DZNFHKWJDAPEKN-UHFFFAOYSA-N 1 0 386.246 1.370 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000418957470 531871890 /nfs/dbraw/zinc/87/18/90/531871890.db2.gz ZSJZWHDTWYMUFM-UHFFFAOYSA-N 1 0 399.289 1.010 20 0 GDADRO CSCC[C@H]1NC(=S)N(Cc2ccc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000298297453 531872732 /nfs/dbraw/zinc/87/27/32/531872732.db2.gz IICDUZJRNBDQBX-CQSZACIVSA-N 1 0 379.555 1.172 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000367883374 531873240 /nfs/dbraw/zinc/87/32/40/531873240.db2.gz DAHHUJYFVZJNHX-QGZVFWFLSA-N 1 0 385.917 1.806 20 0 GDADRO COC(=O)[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccccc1Br ZINC000595256637 531873471 /nfs/dbraw/zinc/87/34/71/531873471.db2.gz PHWFYJOMTZZWQD-NHYWBVRUSA-N 1 0 385.258 1.548 20 0 GDADRO COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])COC(C)C)c1ccc(Br)cc1 ZINC000595255056 531873717 /nfs/dbraw/zinc/87/37/17/531873717.db2.gz SMNKXBUOFRRAIP-UONOGXRCSA-N 1 0 387.274 1.922 20 0 GDADRO COc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)nc1I ZINC000270467241 531874073 /nfs/dbraw/zinc/87/40/73/531874073.db2.gz GNPIUAFKEXMKEZ-SNVBAGLBSA-N 1 0 389.237 1.861 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)CC1 ZINC000418982553 531875352 /nfs/dbraw/zinc/87/53/52/531875352.db2.gz BIDHKOIWEXQTLU-UHFFFAOYSA-N 1 0 396.329 1.956 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000368006928 531884416 /nfs/dbraw/zinc/88/44/16/531884416.db2.gz OYDQLBHFLUJDDP-UONOGXRCSA-N 1 0 385.258 1.630 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000455868856 531884404 /nfs/dbraw/zinc/88/44/04/531884404.db2.gz QQCNJQJRYLMDHT-LLVKDONJSA-N 1 0 386.294 1.752 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000419001273 531877599 /nfs/dbraw/zinc/87/75/99/531877599.db2.gz ADZXUDHVGTWLLH-NWDGAFQWSA-N 1 0 398.301 1.751 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCC[NH+]1CCCCCC1 ZINC000644880084 531878460 /nfs/dbraw/zinc/87/84/60/531878460.db2.gz XWUQPQRZEAWPKX-UHFFFAOYSA-N 1 0 391.896 1.750 20 0 GDADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000566070401 531878580 /nfs/dbraw/zinc/87/85/80/531878580.db2.gz LPGYAJTVIIRHAG-ZDUSSCGKSA-N 1 0 399.925 1.765 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000419010465 531878956 /nfs/dbraw/zinc/87/89/56/531878956.db2.gz PRLFWLKYQIYTTQ-MJVIPROJSA-N 1 0 398.301 1.831 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)[C@H]1C[NH3+] ZINC000419002932 531879139 /nfs/dbraw/zinc/87/91/39/531879139.db2.gz ZSTPPQBOJHNRDF-WFASDCNBSA-N 1 0 382.302 1.694 20 0 GDADRO Cc1nccn1CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000298344243 531879345 /nfs/dbraw/zinc/87/93/45/531879345.db2.gz YXYYHVFHFNHSKJ-UHFFFAOYSA-N 1 0 382.873 1.378 20 0 GDADRO C[N@@H+]1C[C@@H]2CCCN(c3cnn(-c4ccccn4)c(=O)c3Br)[C@@H]2C1 ZINC000644881396 531879421 /nfs/dbraw/zinc/87/94/21/531879421.db2.gz OFANQWABANUHBV-GXTWGEPZSA-N 1 0 390.285 1.920 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1Br ZINC000419012290 531880252 /nfs/dbraw/zinc/88/02/52/531880252.db2.gz VSLKQCVFMHIQPW-ZANVPECISA-N 1 0 384.274 1.488 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1Br ZINC000419012297 531880496 /nfs/dbraw/zinc/88/04/96/531880496.db2.gz VTQJNWPLKDXMQO-GHMZBOCLSA-N 1 0 384.274 1.455 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(Cl)c(I)c1 ZINC000566101788 531880538 /nfs/dbraw/zinc/88/05/38/531880538.db2.gz NWGJDMLLUFRZDB-SNVBAGLBSA-N 1 0 393.656 1.578 20 0 GDADRO Cc1c(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)coc1C(=O)N(C)C ZINC000645583591 531880610 /nfs/dbraw/zinc/88/06/10/531880610.db2.gz UAMFZYPPZOCNSC-HNNXBMFYSA-N 1 0 375.516 1.005 20 0 GDADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1SCCc2sccc21 ZINC000566102627 531881124 /nfs/dbraw/zinc/88/11/24/531881124.db2.gz GIGHCWOUTQIOBJ-XOKHGSTOSA-N 1 0 379.551 1.842 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)c1 ZINC000566107600 531881184 /nfs/dbraw/zinc/88/11/84/531881184.db2.gz MEDXHUPAHIZHOS-CQSZACIVSA-N 1 0 384.885 1.825 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419021422 531881416 /nfs/dbraw/zinc/88/14/16/531881416.db2.gz MEUSRLRYILSGMI-ABAIWWIYSA-N 1 0 382.302 1.740 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419021068 531882127 /nfs/dbraw/zinc/88/21/27/531882127.db2.gz LTNIRXROJQONAJ-ZDUSSCGKSA-N 1 0 384.274 1.457 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000566249529 531882687 /nfs/dbraw/zinc/88/26/87/531882687.db2.gz VMJFPAHTJDADJE-PRHODGIISA-N 1 0 399.822 1.443 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)CCCC2CCOCC2)CC1 ZINC000645749599 531882983 /nfs/dbraw/zinc/88/29/83/531882983.db2.gz PJDHCORJMFPQSJ-UHFFFAOYSA-N 1 0 375.579 1.529 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419023703 531883197 /nfs/dbraw/zinc/88/31/97/531883197.db2.gz PBAMMLGEDZLLET-CYBMUJFWSA-N 1 0 398.301 1.832 20 0 GDADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000418941720 531869386 /nfs/dbraw/zinc/86/93/86/531869386.db2.gz VUYRFQLAWXEICF-CQSZACIVSA-N 1 0 382.302 1.960 20 0 GDADRO NC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000368085794 531891141 /nfs/dbraw/zinc/89/11/41/531891141.db2.gz VQYGZKQEDVUKAU-RRFJBIMHSA-N 1 0 380.286 1.727 20 0 GDADRO NC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000368085795 531891150 /nfs/dbraw/zinc/89/11/50/531891150.db2.gz VQYGZKQEDVUKAU-ZNMIVQPWSA-N 1 0 380.286 1.727 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2cc(C)ccc2Br)[C@@H](C[NH3+])C1 ZINC000419049938 531891107 /nfs/dbraw/zinc/89/11/07/531891107.db2.gz BVQYDIQXVCMCDR-ZIAGYGMSSA-N 1 0 398.301 1.338 20 0 GDADRO CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000566678886 531891192 /nfs/dbraw/zinc/89/11/92/531891192.db2.gz MBHJKCPMVSALFX-UONOGXRCSA-N 1 0 380.286 1.824 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419050184 531891393 /nfs/dbraw/zinc/89/13/93/531891393.db2.gz CYOZPAFJEPHQQA-JOYOIKCWSA-N 1 0 388.693 1.833 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419051673 531892930 /nfs/dbraw/zinc/89/29/30/531892930.db2.gz GIAMEHVGHJMXCI-JSGCOSHPSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419051682 531892951 /nfs/dbraw/zinc/89/29/51/531892951.db2.gz GJCWFQJOGDDVSZ-YUELXQCFSA-N 1 0 394.313 1.849 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1c[nH]c2ncc(Br)cc12 ZINC000298494907 531893406 /nfs/dbraw/zinc/89/34/06/531893406.db2.gz GKQBCGNPIGTNTG-GFCCVEGCSA-N 1 0 381.274 1.902 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1C(F)(F)F ZINC000283777353 531894096 /nfs/dbraw/zinc/89/40/96/531894096.db2.gz CBEKDAIBISQQKH-SNVBAGLBSA-N 1 0 380.388 1.817 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000419056533 531895429 /nfs/dbraw/zinc/89/54/29/531895429.db2.gz RJGBFLBLNHHZPW-QWRGUYRKSA-N 1 0 388.281 1.607 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)NCc1ccccc1Br ZINC000283788931 531895519 /nfs/dbraw/zinc/89/55/19/531895519.db2.gz RQQVUFALBAPCCQ-UHFFFAOYSA-N 1 0 386.290 1.150 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707698 531896437 /nfs/dbraw/zinc/89/64/37/531896437.db2.gz BSRXTFOKMLQYDZ-STQMWFEESA-N 1 0 386.279 1.391 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419059338 531896682 /nfs/dbraw/zinc/89/66/82/531896682.db2.gz XNMSMSNNQVZNHP-UKRRQHHQSA-N 1 0 384.318 1.986 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1sc2c(c1I)CNC2 ZINC000595960003 531897124 /nfs/dbraw/zinc/89/71/24/531897124.db2.gz RMXGCECISMEATF-HTQZYQBOSA-N 1 0 391.278 1.908 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000567589373 531897290 /nfs/dbraw/zinc/89/72/90/531897290.db2.gz IUOJNKNCTISRLN-UHFFFAOYSA-N 1 0 382.313 1.715 20 0 GDADRO Cc1oc(Br)cc1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567586943 531898563 /nfs/dbraw/zinc/89/85/63/531898563.db2.gz MKYNJEYICQLNGI-LBPRGKRZSA-N 1 0 384.274 1.635 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000567607848 531899304 /nfs/dbraw/zinc/89/93/04/531899304.db2.gz GTKOBOVFJMGIPC-NSHDSACASA-N 1 0 376.240 1.671 20 0 GDADRO Cn1c2c(nc(Br)n2CC[C@H]2CCCC[N@@H+]2C)c(=O)n(C)c1=O ZINC000283810779 531899313 /nfs/dbraw/zinc/89/93/13/531899313.db2.gz IVFJRZZGNOABQE-SNVBAGLBSA-N 1 0 384.278 1.071 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000419033467 531884793 /nfs/dbraw/zinc/88/47/93/531884793.db2.gz CKILLLOLOUTGIP-MGULZYLOSA-N 1 0 396.285 1.775 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000419034603 531884965 /nfs/dbraw/zinc/88/49/65/531884965.db2.gz DOJHELVZLCOBTI-SNVBAGLBSA-N 1 0 394.686 1.962 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC ZINC000270519137 531885260 /nfs/dbraw/zinc/88/52/60/531885260.db2.gz QTJLVHUKHWOJDH-UHFFFAOYSA-N 1 0 393.531 1.077 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000673896447 531885288 /nfs/dbraw/zinc/88/52/88/531885288.db2.gz STNJRPCFRCESST-UHFFFAOYSA-N 1 0 398.345 1.796 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000419039406 531885746 /nfs/dbraw/zinc/88/57/46/531885746.db2.gz HCWCEJFYRMXFBS-VIFPVBQESA-N 1 0 378.420 1.797 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000283698134 531887040 /nfs/dbraw/zinc/88/70/40/531887040.db2.gz ZTDJBQCWHMZSAE-UHFFFAOYSA-N 1 0 386.290 1.150 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000419041335 531887120 /nfs/dbraw/zinc/88/71/20/531887120.db2.gz JVRAZFLJAAMTMU-VXGBXAGGSA-N 1 0 375.803 1.944 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1Cl ZINC000298420317 531887193 /nfs/dbraw/zinc/88/71/93/531887193.db2.gz BCDLLFCDEZAOHH-GFCCVEGCSA-N 1 0 385.917 1.804 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000419041783 531887259 /nfs/dbraw/zinc/88/72/59/531887259.db2.gz KLPGFHLRTLAJQB-GUBZILKMSA-N 1 0 378.420 1.973 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1nc(C(F)(F)F)cs1 ZINC000419042162 531887647 /nfs/dbraw/zinc/88/76/47/531887647.db2.gz KZELAMGROOAAPQ-LKFCYVNXSA-N 1 0 376.404 1.551 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)C1 ZINC000419040063 531887677 /nfs/dbraw/zinc/88/76/77/531887677.db2.gz LQGOVLKJGLRPKD-ZYHUDNBSSA-N 1 0 386.265 1.790 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CCCO1 ZINC000419046361 531889433 /nfs/dbraw/zinc/88/94/33/531889433.db2.gz XXKONOMCMMTQCY-AWEZNQCLSA-N 1 0 388.295 1.618 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)c1nc(C(F)(F)F)cs1 ZINC000419045479 531889639 /nfs/dbraw/zinc/88/96/39/531889639.db2.gz SFEKRQXWEJMYMQ-UWVGGRQHSA-N 1 0 378.420 1.940 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000419084015 531899479 /nfs/dbraw/zinc/89/94/79/531899479.db2.gz SIXLJWNGPNHYCK-LLVKDONJSA-N 1 0 380.539 1.810 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419161057 531905378 /nfs/dbraw/zinc/90/53/78/531905378.db2.gz COWSXBMTMYBEPK-ZDUSSCGKSA-N 1 0 382.302 1.880 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2cc(F)ccc2Br)C1 ZINC000419156349 531906024 /nfs/dbraw/zinc/90/60/24/531906024.db2.gz JNDDQHUDBOKEHN-MNOVXSKESA-N 1 0 386.265 1.790 20 0 GDADRO Cc1nn(C)c(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1Br ZINC000647983681 531906121 /nfs/dbraw/zinc/90/61/21/531906121.db2.gz ONKJZKUNPMQROY-NSHDSACASA-N 1 0 387.326 1.639 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419158735 531906408 /nfs/dbraw/zinc/90/64/08/531906408.db2.gz NEMUHXQOZIIIMZ-UHFFFAOYSA-N 1 0 396.207 1.810 20 0 GDADRO COCCOC[C@H](O)C[NH2+]CCc1ccc(I)cc1 ZINC000596064156 531907036 /nfs/dbraw/zinc/90/70/36/531907036.db2.gz BXLZBLWTVPYNBV-CQSZACIVSA-N 1 0 379.238 1.447 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3ccccc3Br)C[C@H]21 ZINC000419211900 531914376 /nfs/dbraw/zinc/91/43/76/531914376.db2.gz YMERNPOECVQBOU-SQWLQELKSA-N 1 0 394.313 1.694 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCc1cc(Br)cs1 ZINC000283878711 531907500 /nfs/dbraw/zinc/90/75/00/531907500.db2.gz LGQSJCDUCWVIEQ-UHFFFAOYSA-N 1 0 388.331 1.927 20 0 GDADRO 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COc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419207551 531912833 /nfs/dbraw/zinc/91/28/33/531912833.db2.gz PDMCIPOHLGEZCJ-ZWNOBZJWSA-N 1 0 384.274 1.188 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000419201493 531913420 /nfs/dbraw/zinc/91/34/20/531913420.db2.gz FRANGBLEKNXHHU-LLVKDONJSA-N 1 0 398.301 1.660 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000270715517 531913881 /nfs/dbraw/zinc/91/38/81/531913881.db2.gz CKQVFYCFRNNKSK-AMIZOPFISA-N 1 0 375.853 1.339 20 0 GDADRO O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419105258 531901469 /nfs/dbraw/zinc/90/14/69/531901469.db2.gz NPWCQHNWYODPSN-QWRGUYRKSA-N 1 0 378.885 1.634 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000419121150 531901748 /nfs/dbraw/zinc/90/17/48/531901748.db2.gz AICGQXYMHVOEJI-QMTHXVAHSA-N 1 0 388.295 1.881 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000648589306 531914067 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GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000283860322 531903922 /nfs/dbraw/zinc/90/39/22/531903922.db2.gz BNODCQHKMLZILD-UHFFFAOYSA-N 1 0 398.301 1.991 20 0 GDADRO CS[C@H]1CN(CC(=O)Nc2ccccc2SCC(N)=O)C[C@H]1[NH+](C)C ZINC000270634610 531903900 /nfs/dbraw/zinc/90/39/00/531903900.db2.gz HSRAJQQDGTZHHE-HIFRSBDPSA-N 1 0 382.555 1.180 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000419140357 531904429 /nfs/dbraw/zinc/90/44/29/531904429.db2.gz VTVNUASXJKJUAD-SNVBAGLBSA-N 1 0 388.693 1.787 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)[C@H](C[NH3+])C1 ZINC000419147028 531904474 /nfs/dbraw/zinc/90/44/74/531904474.db2.gz IYKZAHFJAONNNK-LSDHHAIUSA-N 1 0 388.295 1.617 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCc3cc(F)ccc3Br)C[C@H]12 ZINC000419142906 531904676 /nfs/dbraw/zinc/90/46/76/531904676.db2.gz COUNIXBZVJTCRI-LJWDBELGSA-N 1 0 384.249 1.400 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000419140355 531904944 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GDADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)s1 ZINC000569353960 531921159 /nfs/dbraw/zinc/92/11/59/531921159.db2.gz PXEBIWTYYGVNQN-HZPDHXFCSA-N 1 0 387.571 1.731 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)c1ccc(I)cc1F ZINC000456578479 531922382 /nfs/dbraw/zinc/92/23/82/531922382.db2.gz DXUJFRUSUJRTRR-UHFFFAOYSA-N 1 0 392.212 1.617 20 0 GDADRO O=C(NCCc1nc2cc(Cl)ccc2s1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419310281 531922538 /nfs/dbraw/zinc/92/25/38/531922538.db2.gz AIPXEEMMVBYTLZ-LLVKDONJSA-N 1 0 380.901 1.724 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)C1 ZINC000419340605 531926031 /nfs/dbraw/zinc/92/60/31/531926031.db2.gz XEDFWIOWOPLQBG-MNOVXSKESA-N 1 0 380.901 1.804 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419249749 531916541 /nfs/dbraw/zinc/91/65/41/531916541.db2.gz PMAZKKBRUWOSOO-LBPRGKRZSA-N 1 0 386.315 1.828 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419238667 531916965 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Cc1c(C(=O)N[C@@H]2CCC[NH2+]CC2)cc(Br)cc1S(N)(=O)=O ZINC000368704738 531930375 /nfs/dbraw/zinc/93/03/75/531930375.db2.gz UJESULKKKHMXSG-LLVKDONJSA-N 1 0 390.303 1.277 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000298858303 531931130 /nfs/dbraw/zinc/93/11/30/531931130.db2.gz ODTNVHQPNFNONX-GASCZTMLSA-N 1 0 388.555 1.736 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCc2ccc(O)c(Br)c2)CCCCCC1 ZINC000419413721 531932096 /nfs/dbraw/zinc/93/20/96/531932096.db2.gz SKYGRGBJQPMOEU-UHFFFAOYSA-N 1 0 398.301 1.939 20 0 GDADRO O=C(NCc1ccc(O)c(Br)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419415510 531932202 /nfs/dbraw/zinc/93/22/02/531932202.db2.gz VHYBUUZTTPDPOI-FRRDWIJNSA-N 1 0 396.285 1.275 20 0 GDADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419477932 531934784 /nfs/dbraw/zinc/93/47/84/531934784.db2.gz LYKVJXZHMXNDBR-GXFFZTMASA-N 1 0 386.265 1.504 20 0 GDADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419595603 531939659 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C[C@@H](CC[NH+](C)C)NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000270833720 531928029 /nfs/dbraw/zinc/92/80/29/531928029.db2.gz DNYNBPALAMYDQC-WFASDCNBSA-N 1 0 397.317 1.972 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419354673 531928540 /nfs/dbraw/zinc/92/85/40/531928540.db2.gz LLNKOKGCXHTJNA-ZDUSSCGKSA-N 1 0 384.274 1.332 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419355542 531928625 /nfs/dbraw/zinc/92/86/25/531928625.db2.gz MAIFGITWQWUJSW-RISCZKNCSA-N 1 0 398.301 1.660 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)Oc1cccc(Br)c1 ZINC000419612407 531941659 /nfs/dbraw/zinc/94/16/59/531941659.db2.gz MDRSKYDEYCWMGD-KWCYVHTRSA-N 1 0 398.301 1.719 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000419619855 531942455 /nfs/dbraw/zinc/94/24/55/531942455.db2.gz QELVKQRFHBCGEQ-LBPRGKRZSA-N 1 0 386.290 1.401 20 0 GDADRO O=C(CNC(=O)N1CCc2cc(F)cc(Br)c2C1)N1CC[NH2+]CC1 ZINC000627066378 531943152 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389.587 1.131 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000419627637 531944830 /nfs/dbraw/zinc/94/48/30/531944830.db2.gz YKTKQNDUDBYIOV-FRRDWIJNSA-N 1 0 398.301 1.541 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000419625637 531945752 /nfs/dbraw/zinc/94/57/52/531945752.db2.gz WSEBZVDYWYYAMW-NEPJUHHUSA-N 1 0 386.290 1.304 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000627185056 531946324 /nfs/dbraw/zinc/94/63/24/531946324.db2.gz MQSKKNXABFEAAY-LLVKDONJSA-N 1 0 393.285 1.987 20 0 GDADRO CN(CC(=O)N[C@H](CC[NH3+])C(F)F)S(=O)(=O)c1ccc(Cl)s1 ZINC000570962761 531946447 /nfs/dbraw/zinc/94/64/47/531946447.db2.gz IRFBVEWWTINDQT-SSDOTTSWSA-N 1 0 375.850 1.121 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419637875 531946609 /nfs/dbraw/zinc/94/66/09/531946609.db2.gz SSMFQBLCFAIOFU-HUBLWGQQSA-N 1 0 398.301 1.367 20 0 GDADRO CSc1ccccc1CN(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 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395.301 1.012 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C[NH2+]1 ZINC000627312265 531949653 /nfs/dbraw/zinc/94/96/53/531949653.db2.gz VCDBILJBWLDJTB-MPKXVKKWSA-N 1 0 396.285 1.646 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Br)cc3c2OCC3)[C@H](C)C[NH2+]1 ZINC000419672413 531950787 /nfs/dbraw/zinc/95/07/87/531950787.db2.gz HOLMKQNTAHKEEI-GHMZBOCLSA-N 1 0 396.285 1.209 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000626867941 531940138 /nfs/dbraw/zinc/94/01/38/531940138.db2.gz MCLDZUBVEYHXLZ-UHFFFAOYSA-N 1 0 378.654 1.393 20 0 GDADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 ZINC000270902303 531940318 /nfs/dbraw/zinc/94/03/18/531940318.db2.gz ANVGUPDGPVKGJU-GFCCVEGCSA-N 1 0 395.522 1.596 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc1OC ZINC000299088984 531957761 /nfs/dbraw/zinc/95/77/61/531957761.db2.gz LISOEEBYTAHKBA-SECBINFHSA-N 1 0 388.262 1.471 20 0 GDADRO CS(=O)(=O)N1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000572167468 531959338 /nfs/dbraw/zinc/95/93/38/531959338.db2.gz GPODZFFTBMMDTE-CQSZACIVSA-N 1 0 385.917 1.568 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1Br ZINC000419713975 531960913 /nfs/dbraw/zinc/96/09/13/531960913.db2.gz XBQGFBOEHOBBPS-CHWSQXEVSA-N 1 0 377.304 1.880 20 0 GDADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740431 531961119 /nfs/dbraw/zinc/96/11/19/531961119.db2.gz PNCDBOOPKHYHIL-UHFFFAOYSA-N 1 0 384.274 1.877 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1cccc(I)c1 ZINC000597989936 531962573 /nfs/dbraw/zinc/96/25/73/531962573.db2.gz NWZNTVDSUACUFH-UHFFFAOYSA-N 1 0 389.281 1.905 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)C[C@H]1C[NH3+] ZINC000419732827 531963511 /nfs/dbraw/zinc/96/35/11/531963511.db2.gz SXAVHEAHHCCFHL-BREBYQMCSA-N 1 0 386.279 1.986 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C[C@@H]1[NH+](C)C ZINC000271086469 531963755 /nfs/dbraw/zinc/96/37/55/531963755.db2.gz JAMNJTVAKBYQJF-HOTGVXAUSA-N 1 0 383.539 1.245 20 0 GDADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284348602 531952049 /nfs/dbraw/zinc/95/20/49/531952049.db2.gz CRBUWYGKZQQWDF-INIZCTEOSA-N 1 0 384.274 1.906 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000627456943 531952812 /nfs/dbraw/zinc/95/28/12/531952812.db2.gz DJHSQFUUGHEPOJ-JKSUJKDBSA-N 1 0 394.313 1.899 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000627461881 531952907 /nfs/dbraw/zinc/95/29/07/531952907.db2.gz BIVNPERFVLINBI-UHFFFAOYSA-N 1 0 386.290 1.068 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000627455640 531952974 /nfs/dbraw/zinc/95/29/74/531952974.db2.gz DJIYFTPGADKMME-GXFFZTMASA-N 1 0 399.289 1.055 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419680552 531953332 /nfs/dbraw/zinc/95/33/32/531953332.db2.gz SIRKYCCDVGRRFQ-CQSZACIVSA-N 1 0 393.285 1.886 20 0 GDADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419679156 531953376 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376.475 1.278 20 0 GDADRO COC(=O)c1c(F)cccc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000271021786 531955917 /nfs/dbraw/zinc/95/59/17/531955917.db2.gz FQQVNPUEMIIXIV-VXGBXAGGSA-N 1 0 376.475 1.278 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419753183 531965106 /nfs/dbraw/zinc/96/51/06/531965106.db2.gz XZGHJIPJPVEEDA-INIZCTEOSA-N 1 0 394.313 1.612 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419754451 531965178 /nfs/dbraw/zinc/96/51/78/531965178.db2.gz AIRNOAUSCPWERK-QWRGUYRKSA-N 1 0 384.274 1.455 20 0 GDADRO C[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C1CCCC1 ZINC000271100299 531966282 /nfs/dbraw/zinc/96/62/82/531966282.db2.gz LAXVODUHSYJRRI-UHFFFAOYSA-N 1 0 389.905 1.357 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000419756528 531966897 /nfs/dbraw/zinc/96/68/97/531966897.db2.gz GLZBWVPRZSCQPS-JSGCOSHPSA-N 1 0 385.295 1.542 20 0 GDADRO COc1ccc(NC(C)=O)cc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000271112279 531967403 /nfs/dbraw/zinc/96/74/03/531967403.db2.gz QAEZMPNBVFDUBH-DZGCQCFKSA-N 1 0 387.527 1.320 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000299210951 531967824 /nfs/dbraw/zinc/96/78/24/531967824.db2.gz CVZGQPWUKYRVMV-GFCCVEGCSA-N 1 0 379.404 1.351 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000299227836 531968941 /nfs/dbraw/zinc/96/89/41/531968941.db2.gz COMCDWKVJVKIGD-UHFFFAOYSA-N 1 0 391.921 1.093 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000419784647 531969413 /nfs/dbraw/zinc/96/94/13/531969413.db2.gz UWSQSGIPNCCRJF-HUUCEWRRSA-N 1 0 398.276 1.976 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000419803779 531970601 /nfs/dbraw/zinc/97/06/01/531970601.db2.gz CNCYYHKVPXLJPU-ZDUSSCGKSA-N 1 0 396.329 1.954 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000419811011 531972851 /nfs/dbraw/zinc/97/28/51/531972851.db2.gz INQJOYUIAQNFTC-CQSZACIVSA-N 1 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GDADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)CC[NH2+]1 ZINC000332433586 532185843 /nfs/dbraw/zinc/18/58/43/532185843.db2.gz ACSAPWHFMJDAKL-WCQYABFASA-N 1 0 380.286 1.591 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000274122157 532186946 /nfs/dbraw/zinc/18/69/46/532186946.db2.gz FXZBWSNYIIMGCA-UHFFFAOYSA-N 1 0 375.516 1.815 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(CNS(C)(=O)=O)CC1)c1ccsc1 ZINC000286987825 532188871 /nfs/dbraw/zinc/18/88/71/532188871.db2.gz DRWZMRUJLDZGOE-HNNXBMFYSA-N 1 0 388.559 1.322 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCc3c(Br)cccc3C2)CC1 ZINC000332478210 532188915 /nfs/dbraw/zinc/18/89/15/532188915.db2.gz LRDKCEWOSPDKIP-UHFFFAOYSA-N 1 0 380.286 1.720 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000376313043 532205293 /nfs/dbraw/zinc/20/52/93/532205293.db2.gz AUWSECZGXQJQAX-KGLIPLIRSA-N 1 0 388.559 1.398 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000428532878 532209993 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COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](CO)CC(F)F)CC2)cc1 ZINC000429471500 532229684 /nfs/dbraw/zinc/22/96/84/532229684.db2.gz OHGOCXRGURBUQI-CYBMUJFWSA-N 1 0 378.441 1.454 20 0 GDADRO Cc1csc([C@@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C(F)(F)F)n1 ZINC000333324880 532229900 /nfs/dbraw/zinc/22/99/00/532229900.db2.gz NLIAAEYZAHQQQA-VXGBXAGGSA-N 1 0 377.436 1.744 20 0 GDADRO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000429474404 532229979 /nfs/dbraw/zinc/22/99/79/532229979.db2.gz YMXNVMWHTPCFFH-OCCSQVGLSA-N 1 0 378.441 1.374 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000333367318 532231268 /nfs/dbraw/zinc/23/12/68/532231268.db2.gz UNNPMAPDOQMUHH-FZMZJTMJSA-N 1 0 398.305 1.800 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333422450 532233466 /nfs/dbraw/zinc/23/34/66/532233466.db2.gz SSVOQODIFBIHGR-QWHCGFSZSA-N 1 0 395.301 1.947 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CSCCS1)c1cccc(F)c1 ZINC000287677545 532233838 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C[NH+](C)C1(CNC(=O)C(=O)NCc2cc(F)cc(Br)c2)CCC1 ZINC000287783295 532240521 /nfs/dbraw/zinc/24/05/21/532240521.db2.gz NMBFLUDAXVBLEI-UHFFFAOYSA-N 1 0 386.265 1.805 20 0 GDADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333635686 532242987 /nfs/dbraw/zinc/24/29/87/532242987.db2.gz HIFIONRRAFLKME-WCQYABFASA-N 1 0 387.299 1.757 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000333692820 532244972 /nfs/dbraw/zinc/24/49/72/532244972.db2.gz PWNXAXGBNNEHDT-NXEZZACHSA-N 1 0 378.424 1.658 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000333721667 532246669 /nfs/dbraw/zinc/24/66/69/532246669.db2.gz URGRMYUZZSJPIR-SWLSCSKDSA-N 1 0 395.301 1.631 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000430383484 532248582 /nfs/dbraw/zinc/24/85/82/532248582.db2.gz CYLJIVCNTLZCCW-INIZCTEOSA-N 1 0 388.555 1.763 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000333816686 532251605 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O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333466911 532237225 /nfs/dbraw/zinc/23/72/25/532237225.db2.gz ABVUBUYDPGYOQN-DFBGVHRSSA-N 1 0 393.285 1.558 20 0 GDADRO Cn1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc(Br)c1=O ZINC000377010076 532237746 /nfs/dbraw/zinc/23/77/46/532237746.db2.gz PJTBOKSIBKZMSF-RSAASHCRSA-N 1 0 384.274 1.619 20 0 GDADRO Cc1cnc(N2CC[S@](=O)C[C@H](C)C2)nc1N1CC[S@@](=O)C[C@@H](C)C1 ZINC000333507273 532239057 /nfs/dbraw/zinc/23/90/57/532239057.db2.gz WOIMSBIKLRXGQQ-LXLKKBFFSA-N 1 0 384.571 1.195 20 0 GDADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000333558381 532239810 /nfs/dbraw/zinc/23/98/10/532239810.db2.gz LBTSAYKLLWHSJG-AWEZNQCLSA-N 1 0 381.274 1.679 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c(Br)c1 ZINC000377409507 532258535 /nfs/dbraw/zinc/25/85/35/532258535.db2.gz IGHFZSAXYSDXQZ-INIZCTEOSA-N 1 0 398.345 1.954 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000275054469 532259067 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GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000288150904 532267440 /nfs/dbraw/zinc/26/74/40/532267440.db2.gz NSRUNJNKEGQJBS-UHFFFAOYSA-N 1 0 380.436 1.405 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000288182404 532269491 /nfs/dbraw/zinc/26/94/91/532269491.db2.gz PIQAGOKXTSFVEY-UHFFFAOYSA-N 1 0 386.367 1.459 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000288242430 532275194 /nfs/dbraw/zinc/27/51/94/532275194.db2.gz SNHOGLKIQIMTFW-GFCCVEGCSA-N 1 0 378.901 1.426 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000431966865 532276839 /nfs/dbraw/zinc/27/68/39/532276839.db2.gz XEPRKBPYYLJTNQ-DGCLKSJQSA-N 1 0 386.294 1.710 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC(F)(F)Br)cc1 ZINC000288257688 532276933 /nfs/dbraw/zinc/27/69/33/532276933.db2.gz OVBPEYVMNYTPSV-UHFFFAOYSA-N 1 0 394.216 1.669 20 0 GDADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000377989707 532278229 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1.552 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000377766731 532273040 /nfs/dbraw/zinc/27/30/40/532273040.db2.gz LPTNCBFHNGZRAX-INIZCTEOSA-N 1 0 375.922 1.058 20 0 GDADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000288225198 532274336 /nfs/dbraw/zinc/27/43/36/532274336.db2.gz UTTORRMEWQIPKY-DGCLKSJQSA-N 1 0 381.274 1.868 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000288495610 532293803 /nfs/dbraw/zinc/29/38/03/532293803.db2.gz FWHVXIOUJVKNNS-STQMWFEESA-N 1 0 397.317 1.822 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000288522595 532294882 /nfs/dbraw/zinc/29/48/82/532294882.db2.gz HXJGTHSBDSOCQM-AAEUAGOBSA-N 1 0 383.290 1.622 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000382418409 532294974 /nfs/dbraw/zinc/29/49/74/532294974.db2.gz IMUYILNHZBTSSA-VHSXEESVSA-N 1 0 393.303 1.872 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@H](C)CCC[NH3+])cc1OC ZINC000385649488 532295818 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COC(=O)c1scc(C)c1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000275547184 532299266 /nfs/dbraw/zinc/29/92/66/532299266.db2.gz BOFUNUPGKZTAPY-INIZCTEOSA-N 1 0 385.511 1.335 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Br)ncc1Cl ZINC000275564020 532299795 /nfs/dbraw/zinc/29/97/95/532299795.db2.gz HURALZSILDIDKY-LLVKDONJSA-N 1 0 389.681 1.567 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000400314938 532304866 /nfs/dbraw/zinc/30/48/66/532304866.db2.gz ZIDVGFYORLFJKL-OLZOCXBDSA-N 1 0 397.324 1.747 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccsc1Cl ZINC000275685732 532305706 /nfs/dbraw/zinc/30/57/06/532305706.db2.gz ZWXKQYCNLVOZGI-GFCCVEGCSA-N 1 0 386.905 1.399 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NOCc1ccc(F)cc1Br ZINC000275697120 532306342 /nfs/dbraw/zinc/30/63/42/532306342.db2.gz QFROGAWWYOEVQB-CYBMUJFWSA-N 1 0 389.269 1.565 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275724900 532308270 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GDADRO CNS(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000275963322 532316279 /nfs/dbraw/zinc/31/62/79/532316279.db2.gz WAHFBVSOIWDCQO-SNVBAGLBSA-N 1 0 383.392 1.441 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000276115402 532320094 /nfs/dbraw/zinc/32/00/94/532320094.db2.gz XZRGDRWCZAVYGG-UHFFFAOYSA-N 1 0 389.543 1.101 20 0 GDADRO COc1ccc(CCC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000289297894 532321238 /nfs/dbraw/zinc/32/12/38/532321238.db2.gz RTPMMLZZFFUPME-HNNXBMFYSA-N 1 0 396.329 1.896 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000276182709 532322169 /nfs/dbraw/zinc/32/21/69/532322169.db2.gz FPKGHOFQOMUKSY-STQMWFEESA-N 1 0 389.543 1.750 20 0 GDADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289363383 532322475 /nfs/dbraw/zinc/32/24/75/532322475.db2.gz ZMCOXKPGXHYQLT-DZGCQCFKSA-N 1 0 382.302 1.723 20 0 GDADRO CC(C)(C)CC[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000276322809 532327125 /nfs/dbraw/zinc/32/71/25/532327125.db2.gz WYRDLOZLMXPJQN-UHFFFAOYSA-N 1 0 392.543 1.817 20 0 GDADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000289561236 532327722 /nfs/dbraw/zinc/32/77/22/532327722.db2.gz KYBQJRYPOCEBLE-UKRRQHHQSA-N 1 0 385.917 1.561 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000276365035 532328162 /nfs/dbraw/zinc/32/81/62/532328162.db2.gz GGURQWMTSOULSV-UHFFFAOYSA-N 1 0 394.216 1.408 20 0 GDADRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](O)COc1ccccc1Br ZINC000289834219 532332868 /nfs/dbraw/zinc/33/28/68/532332868.db2.gz DUPBRQNNTGUCMZ-XEZPLFJOSA-N 1 0 385.302 1.939 20 0 GDADRO CS(=O)(=O)NCCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000289950504 532334507 /nfs/dbraw/zinc/33/45/07/532334507.db2.gz QDXDETFYYJWATB-UHFFFAOYSA-N 1 0 388.291 1.059 20 0 GDADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000359973614 209209756 /nfs/dbraw/zinc/20/97/56/209209756.db2.gz LTHCSVJRVWGPQC-DLBZAZTESA-N 1 0 388.599 1.877 20 0 GDADRO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000238102171 570425029 /nfs/dbraw/zinc/42/50/29/570425029.db2.gz DYQJRNLUFOMUPR-KSSFIOAISA-N 1 0 389.496 1.921 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736295628 598827279 /nfs/dbraw/zinc/82/72/79/598827279.db2.gz VQKOBMBGDVOGON-ZTFGCOKTSA-N 1 0 381.484 1.531 20 0 GDADRO CC[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736322189 598834416 /nfs/dbraw/zinc/83/44/16/598834416.db2.gz IWIJIQBAFVJGIK-AWEZNQCLSA-N 1 0 380.518 1.606 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737023434 598848737 /nfs/dbraw/zinc/84/87/37/598848737.db2.gz FSPLALGGECLTKE-CQSZACIVSA-N 1 0 386.456 1.198 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000737523825 598851865 /nfs/dbraw/zinc/85/18/65/598851865.db2.gz JKRLZLKIROKPBU-AWEZNQCLSA-N 1 0 380.456 1.892 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000737523843 598853295 /nfs/dbraw/zinc/85/32/95/598853295.db2.gz KFPSONSHCIZSPN-MRXNPFEDSA-N 1 0 396.455 1.476 20 0 GDADRO COC[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736973419 598865577 /nfs/dbraw/zinc/86/55/77/598865577.db2.gz QIQLYNZTSCULEU-NSHDSACASA-N 1 0 376.486 1.714 20 0 GDADRO COC(=O)[C@@H](N[C@H](Cc1ccccc1)C[NH+](C)C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736895482 598881043 /nfs/dbraw/zinc/88/10/43/598881043.db2.gz JYMSBOLTTCFKLB-MOPGFXCFSA-N 1 0 394.479 1.843 20 0 GDADRO C[C@@H](NC(C)(C)C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736133773 598885859 /nfs/dbraw/zinc/88/58/59/598885859.db2.gz SFYWJXFUOMGUKQ-CABCVRRESA-N 1 0 395.515 1.824 20 0 GDADRO C[NH+](C)CC1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736762793 598911746 /nfs/dbraw/zinc/91/17/46/598911746.db2.gz KJXOJUOUXSOXPR-GOSISDBHSA-N 1 0 383.500 1.636 20 0 GDADRO C[C@H]1CCc2c(sc(NC(=O)CC[N@@H+]3CC[C@H](O)C3)c2-c2nn[nH]n2)C1 ZINC000736278518 598916253 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390.513 1.814 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000736565574 599007697 /nfs/dbraw/zinc/00/76/97/599007697.db2.gz LVWRNYWCBCWMHX-NEPJUHHUSA-N 1 0 382.465 1.499 20 0 GDADRO CC[C@@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](C)O ZINC000736407143 599053469 /nfs/dbraw/zinc/05/34/69/599053469.db2.gz NODNEPUQUFAXKB-WDEREUQCSA-N 1 0 385.394 1.562 20 0 GDADRO c1cnn(C[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2)c1 ZINC000738425021 599054708 /nfs/dbraw/zinc/05/47/08/599054708.db2.gz JRHKQCPWIDVTSQ-RHSMWYFYSA-N 1 0 390.455 1.333 20 0 GDADRO O=C(CC[N@H+]1CCC[C@@H](OCCO)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737844738 599078932 /nfs/dbraw/zinc/07/89/32/599078932.db2.gz VPPXSUIMZRGUJS-CYBMUJFWSA-N 1 0 394.863 1.322 20 0 GDADRO NC(=O)[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736401 599096469 /nfs/dbraw/zinc/09/64/69/599096469.db2.gz JLRULXXOVKDDKE-QGZVFWFLSA-N 1 0 379.399 1.846 20 0 GDADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000823233707 599170042 /nfs/dbraw/zinc/17/00/42/599170042.db2.gz HRSFUODEKVASGS-INIZCTEOSA-N 1 0 395.442 1.929 20 0 GDADRO CCCCNC(=O)CC[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736457587 599172724 /nfs/dbraw/zinc/17/27/24/599172724.db2.gz OZVJWNCDKYKDFT-UHFFFAOYSA-N 1 0 385.516 1.681 20 0 GDADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC000736759145 599178342 /nfs/dbraw/zinc/17/83/42/599178342.db2.gz ODDLROPAJYFPRI-AWEZNQCLSA-N 1 0 384.481 1.651 20 0 GDADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(CC[NH+](C)C)CC(=O)[O-])cc2)CC1 ZINC000236828348 596899882 /nfs/dbraw/zinc/89/98/82/596899882.db2.gz UPJCTVYALPRICS-UHFFFAOYSA-N 1 0 376.501 1.305 20 0 GDADRO CC[C@@H]1CN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)CC[N@@H+]1CCOC ZINC000736405774 599230420 /nfs/dbraw/zinc/23/04/20/599230420.db2.gz HQWRIMTZRWOZAA-GOSISDBHSA-N 1 0 396.499 1.730 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cccc1-c1nn[nH]n1 ZINC000822052344 607272379 /nfs/dbraw/zinc/27/23/79/607272379.db2.gz BZKFWSSZUGOAIU-AWEZNQCLSA-N 1 0 399.480 1.594 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cccc1-c1nn[nH]n1 ZINC000822044228 607276716 /nfs/dbraw/zinc/27/67/16/607276716.db2.gz JBWYAOHOYROKCW-UHFFFAOYSA-N 1 0 397.483 1.591 20 0 GDADRO Cc1c(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cccc1-c1nn[nH]n1 ZINC000822076580 607286445 /nfs/dbraw/zinc/28/64/45/607286445.db2.gz NUFQXJNFNNVSOK-UHFFFAOYSA-N 1 0 386.504 1.665 20 0 GDADRO O=C(CCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)Nc1ccccc1-c1nn[nH]n1 ZINC000822955173 607299422 /nfs/dbraw/zinc/29/94/22/607299422.db2.gz KVESVWMDDGYSEQ-IAGOWNOFSA-N 1 0 397.483 1.719 20 0 GDADRO O=C(CCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)Nc1ccccc1-c1nn[nH]n1 ZINC000822955172 607299446 /nfs/dbraw/zinc/29/94/46/607299446.db2.gz KVESVWMDDGYSEQ-DLBZAZTESA-N 1 0 397.483 1.719 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000821624142 607300846 /nfs/dbraw/zinc/30/08/46/607300846.db2.gz ZRWAVTJWPINNEI-AWEZNQCLSA-N 1 0 385.472 1.434 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736237007 599271146 /nfs/dbraw/zinc/27/11/46/599271146.db2.gz NGEYBCGDASOYNC-JTDSTZFVSA-N 1 0 397.527 1.820 20 0 GDADRO C[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)C[NH+]1CCN(C)CC1 ZINC000820268767 599278663 /nfs/dbraw/zinc/27/86/63/599278663.db2.gz FBGDYKJAWNYQEX-GFCCVEGCSA-N 1 0 376.440 1.011 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC000821584727 607339282 /nfs/dbraw/zinc/33/92/82/607339282.db2.gz QIPOXOGFWKOBRG-AWEZNQCLSA-N 1 0 391.451 1.427 20 0 GDADRO Cc1nc(SCC(=O)N(C)C[C@H]2CC[N@H+](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737481945 598238390 /nfs/dbraw/zinc/23/83/90/598238390.db2.gz CUDGWVDYSUPARX-AWEZNQCLSA-N 1 0 389.529 1.689 20 0 GDADRO Cc1csc(N2CC[NH+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000737452461 598250026 /nfs/dbraw/zinc/25/00/26/598250026.db2.gz KTFXZSHAZZZAPQ-UHFFFAOYSA-N 1 0 398.496 1.782 20 0 GDADRO C[N@H+](CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCCC1 ZINC000736800301 598253926 /nfs/dbraw/zinc/25/39/26/598253926.db2.gz JHWLAWFBKPAAIK-UHFFFAOYSA-N 1 0 384.893 1.673 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)N2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)C1 ZINC000736846675 598259324 /nfs/dbraw/zinc/25/93/24/598259324.db2.gz AFCUAJVDBYADFH-AWEZNQCLSA-N 1 0 392.467 1.015 20 0 GDADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736266010 598266796 /nfs/dbraw/zinc/26/67/96/598266796.db2.gz MGPAYIDMHOBUQO-GFCCVEGCSA-N 1 0 379.490 1.051 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736239842 598267252 /nfs/dbraw/zinc/26/72/52/598267252.db2.gz YEZJXQKWQPUQPU-HZSPNIEDSA-N 1 0 391.501 1.288 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736854515 598269262 /nfs/dbraw/zinc/26/92/62/598269262.db2.gz DEDBJCUDONMAFC-HNNXBMFYSA-N 1 0 385.472 1.514 20 0 GDADRO C[C@H](CNC(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1)[N@H+](C)C1CC1 ZINC000736016853 598270092 /nfs/dbraw/zinc/27/00/92/598270092.db2.gz DXMJEFGBPDYVCC-OAHLLOKOSA-N 1 0 398.515 1.571 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738038475 598294629 /nfs/dbraw/zinc/29/46/29/598294629.db2.gz ZPGJQCMNGNJIBW-HZPDHXFCSA-N 1 0 396.499 1.325 20 0 GDADRO CC[N@H+](CCNC(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1)C1CC1 ZINC000736537065 598305494 /nfs/dbraw/zinc/30/54/94/598305494.db2.gz QAHUKBBDVWASKU-UHFFFAOYSA-N 1 0 398.515 1.573 20 0 GDADRO C[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000736267960 598325513 /nfs/dbraw/zinc/32/55/13/598325513.db2.gz VGTRNJQBPZHNGV-QWHCGFSZSA-N 1 0 375.452 1.925 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736765424 598325612 /nfs/dbraw/zinc/32/56/12/598325612.db2.gz WPOMOSCUFZLHIS-QGZVFWFLSA-N 1 0 397.458 1.978 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736980961 598326237 /nfs/dbraw/zinc/32/62/37/598326237.db2.gz ITRVNAVQRLAQFG-UHFFFAOYSA-N 1 0 391.451 1.306 20 0 GDADRO CC(C)C[N@H+](CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)C1CC1 ZINC000735829625 598333775 /nfs/dbraw/zinc/33/37/75/598333775.db2.gz MNGZDCHITXJQCV-UHFFFAOYSA-N 1 0 383.456 1.709 20 0 GDADRO CC[N@H+](CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)[C@@H](C)C(C)C ZINC000736554660 598334508 /nfs/dbraw/zinc/33/45/08/598334508.db2.gz ANNLWKKEGXDDIW-AWEZNQCLSA-N 1 0 385.472 1.955 20 0 GDADRO O=C(C[NH+]1CCC(Cn2cccn2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737876323 598353989 /nfs/dbraw/zinc/35/39/89/598353989.db2.gz PKWOIWGEPDDTCG-UHFFFAOYSA-N 1 0 380.456 1.092 20 0 GDADRO CCOCC[N@@H+]1CCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1C ZINC000736621065 598366423 /nfs/dbraw/zinc/36/64/23/598366423.db2.gz YZCCJJRHTOFYPF-CYBMUJFWSA-N 1 0 393.517 1.299 20 0 GDADRO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000736406865 598366696 /nfs/dbraw/zinc/36/66/96/598366696.db2.gz MCFUIEMVPQANFW-QGZVFWFLSA-N 1 0 384.463 1.799 20 0 GDADRO Cc1nc(C)n([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737472813 598367718 /nfs/dbraw/zinc/36/77/18/598367718.db2.gz ADIHMMXJHLJZMV-SJORKVTESA-N 1 0 398.471 1.152 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736003087 598434052 /nfs/dbraw/zinc/43/40/52/598434052.db2.gz WEOVXLQPNNIPGN-ZDUSSCGKSA-N 1 0 395.471 1.239 20 0 GDADRO CN(C)c1ncc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000736778530 598466552 /nfs/dbraw/zinc/46/65/52/598466552.db2.gz HMSZZTCYZBUVEK-UHFFFAOYSA-N 1 0 385.501 1.543 20 0 GDADRO C[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C[C@@H]1CCCOC1 ZINC000736787195 598469527 /nfs/dbraw/zinc/46/95/27/598469527.db2.gz HQNNFWLBXKFVRR-AWEZNQCLSA-N 1 0 396.455 1.349 20 0 GDADRO Cc1oc(NC(=O)[C@@H](C)N2CC[C@H]([NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1C ZINC000737547202 598470661 /nfs/dbraw/zinc/47/06/61/598470661.db2.gz IIKWMYMQBINKNU-HIFRSBDPSA-N 1 0 387.488 1.964 20 0 GDADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000735736016 598497232 /nfs/dbraw/zinc/49/72/32/598497232.db2.gz RHGIOPSPXMFZRP-MAUKXSAKSA-N 1 0 384.484 1.871 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000735888812 598505332 /nfs/dbraw/zinc/50/53/32/598505332.db2.gz ROQRCYXZWLEDBI-ZDUSSCGKSA-N 1 0 377.880 1.921 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736859736 598514278 /nfs/dbraw/zinc/51/42/78/598514278.db2.gz IMBPBCPKIAMSDO-GOSISDBHSA-N 1 0 398.515 1.178 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736859737 598514535 /nfs/dbraw/zinc/51/45/35/598514535.db2.gz IMBPBCPKIAMSDO-SFHVURJKSA-N 1 0 398.515 1.178 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000737001527 598516557 /nfs/dbraw/zinc/51/65/57/598516557.db2.gz AHYYZHGFAWCPOQ-MRXNPFEDSA-N 1 0 387.488 1.367 20 0 GDADRO CN(C)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(F)c1 ZINC000736760120 598517603 /nfs/dbraw/zinc/51/76/03/598517603.db2.gz PKBMVKKPDFHFLH-LRDDRELGSA-N 1 0 385.451 1.137 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)OCCO2 ZINC000736133164 598518401 /nfs/dbraw/zinc/51/84/01/598518401.db2.gz FSPSHACFLJAVNA-VXGBXAGGSA-N 1 0 382.428 1.227 20 0 GDADRO CCN(CC)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)CC(C)C ZINC000736534107 598521854 /nfs/dbraw/zinc/52/18/54/598521854.db2.gz LWRBBQYWICCGNW-LSDHHAIUSA-N 1 0 375.525 1.451 20 0 GDADRO COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737040784 598523955 /nfs/dbraw/zinc/52/39/55/598523955.db2.gz QGPKRMFRSRZVTQ-STQMWFEESA-N 1 0 398.471 1.781 20 0 GDADRO CCN(CC)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccco1 ZINC000736532316 598527566 /nfs/dbraw/zinc/52/75/66/598527566.db2.gz ANYYNXVOTBLIOC-HIFRSBDPSA-N 1 0 385.476 1.371 20 0 GDADRO Fc1ccc(OCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(F)c1 ZINC000737656014 598530924 /nfs/dbraw/zinc/53/09/24/598530924.db2.gz FWFYPJCZMQIZJD-JTQLQIEISA-N 1 0 376.371 1.052 20 0 GDADRO CN(C(=O)c1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736742575 598590637 /nfs/dbraw/zinc/59/06/37/598590637.db2.gz OYBRBBKJCMYFAY-UHFFFAOYSA-N 1 0 380.456 1.300 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736266907 598594799 /nfs/dbraw/zinc/59/47/99/598594799.db2.gz KXZITGUDEUWOJW-MAUKXSAKSA-N 1 0 383.500 1.826 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738054654 598595462 /nfs/dbraw/zinc/59/54/62/598595462.db2.gz RDAGLIWNEWWNFZ-GOSISDBHSA-N 1 0 399.499 1.064 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735876191 598595819 /nfs/dbraw/zinc/59/58/19/598595819.db2.gz WVBLWLBFVOHGJN-CRAIPNDOSA-N 1 0 383.500 1.682 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735876193 598596114 /nfs/dbraw/zinc/59/61/14/598596114.db2.gz WVBLWLBFVOHGJN-QAPCUYQASA-N 1 0 383.500 1.682 20 0 GDADRO O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000737788927 598597030 /nfs/dbraw/zinc/59/70/30/598597030.db2.gz ABONRKSONBUEBQ-MSOLQXFVSA-N 1 0 381.484 1.532 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000737006344 598606211 /nfs/dbraw/zinc/60/62/11/598606211.db2.gz GLXYCLKVNKJSAZ-MSOLQXFVSA-N 1 0 399.499 1.063 20 0 GDADRO NS(=O)(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000737769509 598631122 /nfs/dbraw/zinc/63/11/22/598631122.db2.gz MBOSRJUGHNUXNJ-AWEZNQCLSA-N 1 0 399.480 1.201 20 0 GDADRO O=C1CN(C[N@@H+]2CCC[C@H]2C2CC2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738303311 598672490 /nfs/dbraw/zinc/67/24/90/598672490.db2.gz PTGBMPKNWRCGFI-INIZCTEOSA-N 1 0 381.440 1.463 20 0 GDADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738342328 598711475 /nfs/dbraw/zinc/71/14/75/598711475.db2.gz JTTBYGLKCQCCFN-UHFFFAOYSA-N 1 0 378.502 1.801 20 0 GDADRO C[NH+](C)CC1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736759149 598749210 /nfs/dbraw/zinc/74/92/10/598749210.db2.gz OGRNUWIUOXHCEO-UHFFFAOYSA-N 1 0 377.880 1.732 20 0 GDADRO C[C@H]([NH2+][C@H]1CCc2nccn2C1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736133759 598786080 /nfs/dbraw/zinc/78/60/80/598786080.db2.gz SAIQOLCPIFRMHV-QWRGUYRKSA-N 1 0 398.496 1.545 20 0 GDADRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000736129144 598787493 /nfs/dbraw/zinc/78/74/93/598787493.db2.gz CDSADCIDWZOVQN-WFASDCNBSA-N 1 0 395.471 1.513 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000736133318 599299882 /nfs/dbraw/zinc/29/98/82/599299882.db2.gz RRIPLFWPLPWJNI-JKIFEVAISA-N 1 0 392.529 1.966 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736131400 599300007 /nfs/dbraw/zinc/30/00/07/599300007.db2.gz JTTWYNQGMLRREL-HEHGZKQESA-N 1 0 397.483 1.430 20 0 GDADRO NC(=O)c1cc([C@H]2CCC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)n[nH]1 ZINC000737756698 599316844 /nfs/dbraw/zinc/31/68/44/599316844.db2.gz YHMJMODEPMVKFN-AWEZNQCLSA-N 1 0 396.455 1.337 20 0 GDADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(CCn2ccccc2=O)CC1 ZINC000736196533 599317084 /nfs/dbraw/zinc/31/70/84/599317084.db2.gz JHGPPBGLKPXNST-INIZCTEOSA-N 1 0 379.468 1.407 20 0 GDADRO C[NH+](C)CCOc1ccc(NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736769406 599333188 /nfs/dbraw/zinc/33/31/88/599333188.db2.gz ROHKTTHSCAXLDX-ZDUSSCGKSA-N 1 0 383.460 1.157 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000821624910 599342986 /nfs/dbraw/zinc/34/29/86/599342986.db2.gz AGXZGUWEMICGNA-KBPBESRZSA-N 1 0 396.904 1.767 20 0 GDADRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110254 599351989 /nfs/dbraw/zinc/35/19/89/599351989.db2.gz GUHYKHFPJGYPTB-RHSMWYFYSA-N 1 0 387.488 1.680 20 0 GDADRO Cc1cnc(N2CC[NH+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)s1 ZINC000737446924 599357563 /nfs/dbraw/zinc/35/75/63/599357563.db2.gz YRSDRSLUWYELPC-UHFFFAOYSA-N 1 0 398.496 1.782 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823594637 599361025 /nfs/dbraw/zinc/36/10/25/599361025.db2.gz NQQRMLAUVVMSKI-AWEZNQCLSA-N 1 0 376.486 1.363 20 0 GDADRO O=C(C=Cc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000737801383 599391711 /nfs/dbraw/zinc/39/17/11/599391711.db2.gz TUQMSILTHUOKSA-YIEVGGLXSA-N 1 0 382.468 1.497 20 0 GDADRO COc1ccc(C[NH2+]Cc2cccnc2N2CCOCC2)cc1-c1nn[nH]n1 ZINC000821817970 599401809 /nfs/dbraw/zinc/40/18/09/599401809.db2.gz FDRDIGYTYSKYSJ-UHFFFAOYSA-N 1 0 381.440 1.397 20 0 GDADRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000821637744 599411690 /nfs/dbraw/zinc/41/16/90/599411690.db2.gz RPXPPEYYPHVHTI-UHFFFAOYSA-N 1 0 388.453 1.073 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1-c1nn[nH]n1 ZINC000821808142 599437378 /nfs/dbraw/zinc/43/73/78/599437378.db2.gz ARBCDWYPPSBMPI-CQSZACIVSA-N 1 0 393.451 1.343 20 0 GDADRO Fc1ccc(C2([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCOCC2)cc1 ZINC000822767094 599440695 /nfs/dbraw/zinc/44/06/95/599440695.db2.gz WMFOCNDAYXVJSJ-CYBMUJFWSA-N 1 0 398.446 1.540 20 0 GDADRO Cc1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)ccc1-n1cncn1 ZINC000822201180 599450973 /nfs/dbraw/zinc/45/09/73/599450973.db2.gz URYAGLDYYULUGC-UHFFFAOYSA-N 1 0 376.424 1.924 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000823212164 599453631 /nfs/dbraw/zinc/45/36/31/599453631.db2.gz VPFJRCBCQZMUBY-MRXNPFEDSA-N 1 0 385.472 1.515 20 0 GDADRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@H](C)O1 ZINC000736289154 599482653 /nfs/dbraw/zinc/48/26/53/599482653.db2.gz CXXZAJJDVUGFDG-OKILXGFUSA-N 1 0 384.488 1.492 20 0 GDADRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000737109060 599485229 /nfs/dbraw/zinc/48/52/29/599485229.db2.gz OFLKOCIMVKFISH-MRXNPFEDSA-N 1 0 395.423 1.355 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)C[C@H]1C ZINC000820479962 599531140 /nfs/dbraw/zinc/53/11/40/599531140.db2.gz DLWSIJKGIAXCCD-VXGBXAGGSA-N 1 0 387.875 1.960 20 0 GDADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000823798211 599565704 /nfs/dbraw/zinc/56/57/04/599565704.db2.gz VHBBELHWEBWVOQ-AWEZNQCLSA-N 1 0 379.468 1.750 20 0 GDADRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737877844 599590707 /nfs/dbraw/zinc/59/07/07/599590707.db2.gz WVPMHGVBNZCZFL-CYBMUJFWSA-N 1 0 375.502 1.817 20 0 GDADRO O=C(CN1CCC[N@@H+](C2CCCC2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737874673 599592496 /nfs/dbraw/zinc/59/24/96/599592496.db2.gz XUVTVDUPNYVSOE-UHFFFAOYSA-N 1 0 383.500 1.433 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738330467 599597668 /nfs/dbraw/zinc/59/76/68/599597668.db2.gz PAQITDGGXYXGCT-KRWDZBQOSA-N 1 0 390.513 1.647 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000822312865 599605881 /nfs/dbraw/zinc/60/58/81/599605881.db2.gz JGTUSEUIQQKONZ-OAHLLOKOSA-N 1 0 397.483 1.591 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1-c1nn[nH]n1 ZINC000822309199 599605953 /nfs/dbraw/zinc/60/59/53/599605953.db2.gz PPJAVOZMTOXXLC-AWEZNQCLSA-N 1 0 383.456 1.200 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[nH]n2)C1 ZINC000821088828 599616149 /nfs/dbraw/zinc/61/61/49/599616149.db2.gz XTGLOPAGPFWIPV-AWEZNQCLSA-N 1 0 385.472 1.304 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738178585 599616982 /nfs/dbraw/zinc/61/69/82/599616982.db2.gz WTDDSKHEWQBVEI-MRXNPFEDSA-N 1 0 383.456 1.282 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000821182778 599617419 /nfs/dbraw/zinc/61/74/19/599617419.db2.gz ZNAXHXZVXIJOJL-LBPRGKRZSA-N 1 0 391.863 1.401 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@H]1CN1CCCC1=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964347 599638867 /nfs/dbraw/zinc/63/88/67/599638867.db2.gz HDERASJFIUMQFN-KRWDZBQOSA-N 1 0 397.483 1.672 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821268408 599675775 /nfs/dbraw/zinc/67/57/75/599675775.db2.gz WENHFMODGDNVGA-SFHVURJKSA-N 1 0 398.515 1.178 20 0 GDADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCOC1 ZINC000820341728 599676782 /nfs/dbraw/zinc/67/67/82/599676782.db2.gz RCXZJBWTAREXSF-WMLDXEAASA-N 1 0 387.488 1.365 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCC(F)(F)F ZINC000821586455 599680470 /nfs/dbraw/zinc/68/04/70/599680470.db2.gz YQROIUUGQUEQQM-UHFFFAOYSA-N 1 0 385.394 1.892 20 0 GDADRO C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820343062 599680769 /nfs/dbraw/zinc/68/07/69/599680769.db2.gz ZJDIEEFMYRSEHF-CQSZACIVSA-N 1 0 387.488 1.680 20 0 GDADRO Clc1cc(-c2nn[nH]n2)cnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000822564299 599689133 /nfs/dbraw/zinc/68/91/33/599689133.db2.gz YVOSIIPBVFPBQR-UHFFFAOYSA-N 1 0 377.880 1.996 20 0 GDADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)c1cccnc1 ZINC000819854190 599698309 /nfs/dbraw/zinc/69/83/09/599698309.db2.gz AVXSEADYPUGQME-OAHLLOKOSA-N 1 0 379.468 1.956 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c(C)s1 ZINC000822211697 607390722 /nfs/dbraw/zinc/39/07/22/607390722.db2.gz LGZZMOHARAWCCI-UHFFFAOYSA-N 1 0 398.539 1.675 20 0 GDADRO C[NH+]1CCC(NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC1 ZINC000737515005 600123313 /nfs/dbraw/zinc/12/33/13/600123313.db2.gz QGEWCQOHCOKTOY-UHFFFAOYSA-N 1 0 375.473 1.109 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821689000 607424978 /nfs/dbraw/zinc/42/49/78/607424978.db2.gz HFPKOAIGPWADFL-UHFFFAOYSA-N 1 0 391.476 1.744 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000823359904 607447147 /nfs/dbraw/zinc/44/71/47/607447147.db2.gz UOGWCSJCQLJDHA-KRWDZBQOSA-N 1 0 385.472 1.975 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826435388 607456268 /nfs/dbraw/zinc/45/62/68/607456268.db2.gz NCVHUZKLRYCUMX-CVEARBPZSA-N 1 0 383.456 1.018 20 0 GDADRO CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825154297 607473371 /nfs/dbraw/zinc/47/33/71/607473371.db2.gz NHOMIJJOICCSQZ-MOPGFXCFSA-N 1 0 397.479 1.880 20 0 GDADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-c2nn[nH]n2)cc1F ZINC000823715263 607484510 /nfs/dbraw/zinc/48/45/10/607484510.db2.gz SIWIXHYIRVAHAJ-UYAOXDASSA-N 1 0 396.470 1.978 20 0 GDADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823606793 607496855 /nfs/dbraw/zinc/49/68/55/607496855.db2.gz MWJHIHLRTQPHDQ-WMLDXEAASA-N 1 0 388.497 1.504 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1-c1nn[nH]n1 ZINC000826194696 607497062 /nfs/dbraw/zinc/49/70/62/607497062.db2.gz SZSBZAZEJSHASZ-MRXNPFEDSA-N 1 0 382.472 1.996 20 0 GDADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823606791 607497348 /nfs/dbraw/zinc/49/73/48/607497348.db2.gz 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O=C(N1CC[NH2+]CC1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000530225203 649968326 /nfs/dbraw/zinc/96/83/26/649968326.db2.gz VPTGKCNROZHLOK-UHFFFAOYSA-N 1 0 385.281 1.731 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000822216371 606815931 /nfs/dbraw/zinc/81/59/31/606815931.db2.gz NAYOTBXHUQEFLC-CQSZACIVSA-N 1 0 385.472 1.208 20 0 GDADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820092019 606832501 /nfs/dbraw/zinc/83/25/01/606832501.db2.gz DSLSTCIZSKECLQ-VQIMIIECSA-N 1 0 397.527 1.930 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C[C@H]1C ZINC000821254904 606844057 /nfs/dbraw/zinc/84/40/57/606844057.db2.gz PTCKJILHFLXUCG-YPMHNXCESA-N 1 0 382.465 1.499 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)[C@H](C)C1 ZINC000821253940 606845143 /nfs/dbraw/zinc/84/51/43/606845143.db2.gz JMRCGPFXPZHVAF-RISCZKNCSA-N 1 0 382.465 1.357 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821253938 606845310 /nfs/dbraw/zinc/84/53/10/606845310.db2.gz JMRCGPFXPZHVAF-FZMZJTMJSA-N 1 0 382.465 1.357 20 0 GDADRO C[C@H](C[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2sccc2C1 ZINC000820274882 606851984 /nfs/dbraw/zinc/85/19/84/606851984.db2.gz LKDYNGRYVAYBFW-DYVFJYSZSA-N 1 0 384.509 1.998 20 0 GDADRO C[C@H](C[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000820274857 606852045 /nfs/dbraw/zinc/85/20/45/606852045.db2.gz KLNRAWPKXBXHEY-QRWLVFNGSA-N 1 0 378.480 1.937 20 0 GDADRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)ccc1OCCO ZINC000821717668 606856007 /nfs/dbraw/zinc/85/60/07/606856007.db2.gz SLLYKUUQCRCLKV-MRXNPFEDSA-N 1 0 385.424 1.070 20 0 GDADRO O[C@H](C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673423 606856684 /nfs/dbraw/zinc/85/66/84/606856684.db2.gz MAHLWPJXICKZCA-WSTZPKSXSA-N 1 0 376.464 1.968 20 0 GDADRO Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC000822240893 606859050 /nfs/dbraw/zinc/85/90/50/606859050.db2.gz CZPCKRRVTLQXPL-DLBZAZTESA-N 1 0 380.456 1.257 20 0 GDADRO CNC(=O)c1ccc(C[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000821635209 606881694 /nfs/dbraw/zinc/88/16/94/606881694.db2.gz REVZVNJJJUFMRY-LJQANCHMSA-N 1 0 392.463 1.924 20 0 GDADRO C[C@H](c1ccccc1)[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)CC(N)=O ZINC000822006195 606883760 /nfs/dbraw/zinc/88/37/60/606883760.db2.gz YVOKQQSIDGPVFQ-CQSZACIVSA-N 1 0 393.451 1.744 20 0 GDADRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000820753157 606886647 /nfs/dbraw/zinc/88/66/47/606886647.db2.gz XAWUDROBGAFVGX-QXGSTGNESA-N 1 0 386.500 1.474 20 0 GDADRO O=C(CC[NH+]1CCC(N2CCCCC2=O)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822964599 606934110 /nfs/dbraw/zinc/93/41/10/606934110.db2.gz LIBCUPVHGORCHD-UHFFFAOYSA-N 1 0 397.483 1.672 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCCc1ccc3c(c1)OCCO3)C2 ZINC000823767548 606952562 /nfs/dbraw/zinc/95/25/62/606952562.db2.gz TUFOPZIOSSLXLS-CQSZACIVSA-N 1 0 396.455 1.099 20 0 GDADRO [NH2+]=C(COc1ccc(F)cc1)NOCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822889909 606982802 /nfs/dbraw/zinc/98/28/02/606982802.db2.gz ICJJLJHOJADCMK-UHFFFAOYSA-N 1 0 399.386 1.199 20 0 GDADRO Cc1nc2c(cnn2C)c(N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822449818 607115526 /nfs/dbraw/zinc/11/55/26/607115526.db2.gz QFINMMJLBMGHGB-UHFFFAOYSA-N 1 0 392.471 1.420 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000823308811 607141808 /nfs/dbraw/zinc/14/18/08/607141808.db2.gz KAOFSQUDLXTSDN-IRXDYDNUSA-N 1 0 385.472 1.756 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)s1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000823482949 607224095 /nfs/dbraw/zinc/22/40/95/607224095.db2.gz CXXNZYHZOWDSTF-ZDUSSCGKSA-N 1 0 376.486 1.645 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000282027681 607230305 /nfs/dbraw/zinc/23/03/05/607230305.db2.gz UXPMCNZRPQZHPP-NHYWBVRUSA-N 1 0 396.904 1.625 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821623362 607230659 /nfs/dbraw/zinc/23/06/59/607230659.db2.gz JSLGADYNMAQRON-HOTGVXAUSA-N 1 0 376.486 1.113 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000825663409 607795967 /nfs/dbraw/zinc/79/59/67/607795967.db2.gz NRGLZZAIKYVKSM-UHFFFAOYSA-N 1 0 380.518 1.654 20 0 GDADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000826369649 607801693 /nfs/dbraw/zinc/80/16/93/607801693.db2.gz LMKVGBXWCPZDLD-UHFFFAOYSA-N 1 0 390.398 1.972 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000824414070 607834101 /nfs/dbraw/zinc/83/41/01/607834101.db2.gz TUFDVPOXVJWUMX-JTQLQIEISA-N 1 0 398.298 1.539 20 0 GDADRO CC(=O)N1CC[C@@H](C[N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000823972558 607857739 /nfs/dbraw/zinc/85/77/39/607857739.db2.gz CKEIWUPRBHADAI-LBPRGKRZSA-N 1 0 377.474 1.057 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(F)c1 ZINC000530380900 649972003 /nfs/dbraw/zinc/97/20/03/649972003.db2.gz JDNUXLFXGUVUJX-CHWSQXEVSA-N 1 0 376.475 1.278 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ncc(-c4nn[nH]n4)cc3Cl)C2)CC1 ZINC000826023216 607912004 /nfs/dbraw/zinc/91/20/04/607912004.db2.gz YYWGDDBVECVSRZ-GFCCVEGCSA-N 1 0 375.864 1.719 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCCOc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000826022830 607912080 /nfs/dbraw/zinc/91/20/80/607912080.db2.gz SYQVOVBONAHBNY-QGZVFWFLSA-N 1 0 399.499 1.619 20 0 GDADRO CC[C@H](C(=O)OCc1cccc(C(=O)OC)c1-c1nn[nH]n1)[NH+](CC)CC ZINC000825039776 607914376 /nfs/dbraw/zinc/91/43/76/607914376.db2.gz WCPHQHGJZVJKIY-CQSZACIVSA-N 1 0 375.429 1.817 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)CSCC[NH+](C)C ZINC000826157237 607932782 /nfs/dbraw/zinc/93/27/82/607932782.db2.gz MLJLIJKVSOTWKD-UHFFFAOYSA-N 1 0 395.533 1.555 20 0 GDADRO C[C@@H]1C[NH+](Cc2ccc(CNc3ccc(-c4nn[nH]n4)nn3)cc2)C[C@@H](C)O1 ZINC000824984093 607988816 /nfs/dbraw/zinc/98/88/16/607988816.db2.gz GEGARAPHNUTPHM-ZIAGYGMSSA-N 1 0 380.456 1.878 20 0 GDADRO CS[C@@H]1CN(C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1[NH+](C)C ZINC000826227844 608015594 /nfs/dbraw/zinc/01/55/94/608015594.db2.gz YOUQJCWVLKFBLH-HUUCEWRRSA-N 1 0 392.554 1.604 20 0 GDADRO Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c(-c2nn[nH]n2)c1C ZINC000826336166 608018316 /nfs/dbraw/zinc/01/83/16/608018316.db2.gz PVRKPNNFQDRRIM-UHFFFAOYSA-N 1 0 385.520 1.268 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)nc(Cl)c2)c1-c1nn[nH]n1 ZINC000826077799 608019847 /nfs/dbraw/zinc/01/98/47/608019847.db2.gz WJTFHFBEDGTAJH-UHFFFAOYSA-N 1 0 396.242 1.696 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000826073160 608020795 /nfs/dbraw/zinc/02/07/95/608020795.db2.gz HDPVFONMKIRNTL-UHFFFAOYSA-N 1 0 386.435 1.797 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2cccc(OC)c2)c1-c1nn[nH]n1 ZINC000826073392 608020903 /nfs/dbraw/zinc/02/09/03/608020903.db2.gz QIUQVOVERRBLIU-LLVKDONJSA-N 1 0 384.444 1.493 20 0 GDADRO CCc1nc(C)c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)s1 ZINC000825744775 608020961 /nfs/dbraw/zinc/02/09/61/608020961.db2.gz DVAANKPJXMMIGX-UHFFFAOYSA-N 1 0 375.462 1.321 20 0 GDADRO CC[C@H](Cc1ccccc1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825127617 608021066 /nfs/dbraw/zinc/02/10/66/608021066.db2.gz OHPQAVQRFASGEM-CQSZACIVSA-N 1 0 382.472 1.949 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(F)cc2Cl)c1-c1nn[nH]n1 ZINC000826077565 608022081 /nfs/dbraw/zinc/02/20/81/608022081.db2.gz MRHKVDACLGMWIW-UHFFFAOYSA-N 1 0 392.826 1.716 20 0 GDADRO Cc1ccc(N2CC[C@@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)C2=O)cc1 ZINC000826289627 608036520 /nfs/dbraw/zinc/03/65/20/608036520.db2.gz HHXXNKCMPOTTOA-OAHLLOKOSA-N 1 0 395.471 1.150 20 0 GDADRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C[C@H]1O ZINC000825210690 608045283 /nfs/dbraw/zinc/04/52/83/608045283.db2.gz IWVCQSOCNUPJNU-WCQYABFASA-N 1 0 390.513 1.838 20 0 GDADRO C[N@H+](CCCO)C1CCN(c2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825923603 608050261 /nfs/dbraw/zinc/05/02/61/608050261.db2.gz OCLHFOWANDUTBV-UHFFFAOYSA-N 1 0 395.305 1.912 20 0 GDADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826431049 608061439 /nfs/dbraw/zinc/06/14/39/608061439.db2.gz QUFUKCSFOWTJPQ-GOSISDBHSA-N 1 0 397.483 1.576 20 0 GDADRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000826453362 608108043 /nfs/dbraw/zinc/10/80/43/608108043.db2.gz IMSCMEDRHSYKIQ-UHFFFAOYSA-N 1 0 379.424 1.471 20 0 GDADRO C[C@@H]1OCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825020195 608114570 /nfs/dbraw/zinc/11/45/70/608114570.db2.gz JFQASEUNLFCNRB-WMLDXEAASA-N 1 0 385.472 1.261 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824970369 608121312 /nfs/dbraw/zinc/12/13/12/608121312.db2.gz WRXGYQVVBZAOIJ-APWZRJJASA-N 1 0 397.527 1.284 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000826503965 608128936 /nfs/dbraw/zinc/12/89/36/608128936.db2.gz 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O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CN1 ZINC000826479124 608171337 /nfs/dbraw/zinc/17/13/37/608171337.db2.gz QYTVBHKWFBNQHN-KGLIPLIRSA-N 1 0 392.410 1.959 20 0 GDADRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824857159 608218229 /nfs/dbraw/zinc/21/82/29/608218229.db2.gz BSLJHZLUHMAWRH-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cn1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000826413318 608222122 /nfs/dbraw/zinc/22/21/22/608222122.db2.gz ADCUZQNHHYUPFG-UHFFFAOYSA-N 1 0 384.488 1.398 20 0 GDADRO Cc1ccc(NC(=O)CNc2ccc(-c3nn[nH]n3)cn2)c(OCC[NH+](C)C)c1 ZINC000826290379 608224542 /nfs/dbraw/zinc/22/45/42/608224542.db2.gz KNSDQTVKLHITAL-UHFFFAOYSA-N 1 0 396.455 1.561 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc3cc(-c4nn[nH]n4)ccc3n2)CC1 ZINC000826410114 608227315 /nfs/dbraw/zinc/22/73/15/608227315.db2.gz BYXGNYFJDRNUJK-UHFFFAOYSA-N 1 0 392.467 1.159 20 0 GDADRO CC(C)(C)c1nc(CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000824141057 608237214 /nfs/dbraw/zinc/23/72/14/608237214.db2.gz BWGYMQKLHOWIKX-CQSZACIVSA-N 1 0 385.497 1.979 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C[C@@H]1C ZINC000825443783 608246806 /nfs/dbraw/zinc/24/68/06/608246806.db2.gz GAOMQSZMXCCQAM-LSDHHAIUSA-N 1 0 399.499 1.917 20 0 GDADRO O=C(C[NH2+][C@]1(CO)CCc2ccccc21)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826412433 608254308 /nfs/dbraw/zinc/25/43/08/608254308.db2.gz NUEVWUWLXPZRSQ-IBGZPJMESA-N 1 0 398.854 1.882 20 0 GDADRO O=C(C[NH2+][C@@]1(CO)CCc2ccccc21)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826412434 608254588 /nfs/dbraw/zinc/25/45/88/608254588.db2.gz NUEVWUWLXPZRSQ-LJQANCHMSA-N 1 0 398.854 1.882 20 0 GDADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000824764007 608262941 /nfs/dbraw/zinc/26/29/41/608262941.db2.gz RGZZYRVSDVITEL-CYBMUJFWSA-N 1 0 393.451 1.965 20 0 GDADRO C[C@H](CCO)[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000824405949 608267874 /nfs/dbraw/zinc/26/78/74/608267874.db2.gz BVMTYZYSQIPLNB-MRXNPFEDSA-N 1 0 394.479 1.756 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000826275133 608283896 /nfs/dbraw/zinc/28/38/96/608283896.db2.gz PXZXKLQVHWGHKK-UHFFFAOYSA-N 1 0 392.511 1.824 20 0 GDADRO Cc1nn(-c2ccccc2)c(CN2CCC([N@H+](C)CCO)CC2)c1-c1nn[nH]n1 ZINC000826331907 608312769 /nfs/dbraw/zinc/31/27/69/608312769.db2.gz CKTIRXXKVFQNKM-UHFFFAOYSA-N 1 0 396.499 1.249 20 0 GDADRO CCC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825255570 608313887 /nfs/dbraw/zinc/31/38/87/608313887.db2.gz XOQHZCSOHFLLNZ-DOOKAGJSSA-N 1 0 384.484 1.839 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825390856 608336163 /nfs/dbraw/zinc/33/61/63/608336163.db2.gz OFILRIUHEIQINY-LBPRGKRZSA-N 1 0 382.465 1.109 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825300633 608336483 /nfs/dbraw/zinc/33/64/83/608336483.db2.gz BWOFFNGOGQHKGL-ZDUSSCGKSA-N 1 0 396.492 1.499 20 0 GDADRO CC[C@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)CC[N@@H+]1C[C@H](C)O ZINC000825205493 608337343 /nfs/dbraw/zinc/33/73/43/608337343.db2.gz WKDRSNMZIAJJOP-JSGCOSHPSA-N 1 0 389.460 1.184 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000826169333 608356773 /nfs/dbraw/zinc/35/67/73/608356773.db2.gz PILZHOQQLWQLHA-IAGOWNOFSA-N 1 0 399.543 1.866 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](N(C)Cc2noc(C)n2)C1 ZINC000826168289 608366962 /nfs/dbraw/zinc/36/69/62/608366962.db2.gz IWGNRLOCRNVPQF-OAHLLOKOSA-N 1 0 384.444 1.273 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000826168430 608375371 /nfs/dbraw/zinc/37/53/71/608375371.db2.gz MMKDXSONVCHXQG-QAPCUYQASA-N 1 0 385.516 1.333 20 0 GDADRO c1cc(OCC[NH+]2CCCC2)ccc1CCNc1ccc(-c2nn[nH]n2)nn1 ZINC000826517545 608415954 /nfs/dbraw/zinc/41/59/54/608415954.db2.gz HMFNDYFNNMVSRU-UHFFFAOYSA-N 1 0 380.456 1.786 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1ccnc1 ZINC000824952786 608452313 /nfs/dbraw/zinc/45/23/13/608452313.db2.gz ATDJTYHAUICZGZ-WMLDXEAASA-N 1 0 380.456 1.263 20 0 GDADRO COC(=O)C1(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000826125033 608461623 /nfs/dbraw/zinc/46/16/23/608461623.db2.gz ZNIAOSJXAFHODG-ZDUSSCGKSA-N 1 0 386.456 1.509 20 0 GDADRO COc1cccc(S(=O)(=O)CC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826217718 608463118 /nfs/dbraw/zinc/46/31/18/608463118.db2.gz ZLWRVXRZRXDKLL-CYBMUJFWSA-N 1 0 387.465 2.000 20 0 GDADRO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826217719 608463332 /nfs/dbraw/zinc/46/33/32/608463332.db2.gz ZLWRVXRZRXDKLL-ZDUSSCGKSA-N 1 0 387.465 2.000 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1sccc1C(N)=O ZINC000824531392 608464744 /nfs/dbraw/zinc/46/47/44/608464744.db2.gz PJNLGARXFQEWIH-UWVGGRQHSA-N 1 0 385.453 1.705 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000826091190 608473494 /nfs/dbraw/zinc/47/34/94/608473494.db2.gz YGTPOXFSZVAWFN-LLVKDONJSA-N 1 0 390.444 1.765 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824569013 608480125 /nfs/dbraw/zinc/48/01/25/608480125.db2.gz FRDFZJQKQRPXME-WFASDCNBSA-N 1 0 392.419 1.174 20 0 GDADRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826197326 608480936 /nfs/dbraw/zinc/48/09/36/608480936.db2.gz KOTDVPWTMQCDNO-CYBMUJFWSA-N 1 0 396.451 1.851 20 0 GDADRO C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568592 608483275 /nfs/dbraw/zinc/48/32/75/608483275.db2.gz AXMZOQWZEARKFY-QRWLVFNGSA-N 1 0 378.480 1.937 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825663491 608500146 /nfs/dbraw/zinc/50/01/46/608500146.db2.gz QAZKRIQTKQESHB-KRWDZBQOSA-N 1 0 390.513 1.648 20 0 GDADRO COc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1O ZINC000826195503 608502415 /nfs/dbraw/zinc/50/24/15/608502415.db2.gz WOVDMDVQPWNEAO-UHFFFAOYSA-N 1 0 380.452 1.899 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000826412294 608528350 /nfs/dbraw/zinc/52/83/50/608528350.db2.gz JEWVHOWHRNZXNA-IAGOWNOFSA-N 1 0 382.468 1.615 20 0 GDADRO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825499736 608533260 /nfs/dbraw/zinc/53/32/60/608533260.db2.gz SRQRMZWALUDLLY-MRXNPFEDSA-N 1 0 398.467 1.390 20 0 GDADRO Cn1cc([C@H]([NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C(C)(C)C)cn1 ZINC000826359733 608553954 /nfs/dbraw/zinc/55/39/54/608553954.db2.gz PDGPMWXMMBLRHM-KRWDZBQOSA-N 1 0 382.472 1.593 20 0 GDADRO CS(=O)(=O)C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826222524 608554172 /nfs/dbraw/zinc/55/41/72/608554172.db2.gz ZSQISVCGDLYAHQ-DLBZAZTESA-N 1 0 387.465 1.276 20 0 GDADRO Fc1ccc(N2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)nc1 ZINC000826375436 608563029 /nfs/dbraw/zinc/56/30/29/608563029.db2.gz NMHDIHVHNGQUMX-UHFFFAOYSA-N 1 0 378.415 1.976 20 0 GDADRO COc1ccc([C@H](C)C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000826188161 608590641 /nfs/dbraw/zinc/59/06/41/608590641.db2.gz PABDMVRZFHVHDF-CABCVRRESA-N 1 0 394.483 1.980 20 0 GDADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2N1CC[NH+](CC2=CCCOC2)CC1 ZINC000823867770 608652787 /nfs/dbraw/zinc/65/27/87/608652787.db2.gz HLMODLWRTJQQHK-UHFFFAOYSA-N 1 0 377.452 1.884 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824109145 608652880 /nfs/dbraw/zinc/65/28/80/608652880.db2.gz NWRHJLSLCYUJFI-CYBMUJFWSA-N 1 0 398.471 1.861 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824909400 608654015 /nfs/dbraw/zinc/65/40/15/608654015.db2.gz TUWSWUDZGGHGSW-GASCZTMLSA-N 1 0 375.546 1.919 20 0 GDADRO CN1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)CC1 ZINC000826034665 608683578 /nfs/dbraw/zinc/68/35/78/608683578.db2.gz VBFKKCMGIILULC-UHFFFAOYSA-N 1 0 389.529 1.304 20 0 GDADRO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000530535598 649977898 /nfs/dbraw/zinc/97/78/98/649977898.db2.gz SXNXFYJKEFNEMH-HZPDHXFCSA-N 1 0 376.519 1.137 20 0 GDADRO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259237 609148230 /nfs/dbraw/zinc/14/82/30/609148230.db2.gz MANSHDXBXYZLBE-CQSZACIVSA-N 1 0 380.456 1.575 20 0 GDADRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C1 ZINC000825450905 609150064 /nfs/dbraw/zinc/15/00/64/609150064.db2.gz FINXGHDDTAIJQF-HNNXBMFYSA-N 1 0 380.456 1.575 20 0 GDADRO Cc1cc(C(=O)N2CCC23CC[NH+](C)CC3)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257421 609157004 /nfs/dbraw/zinc/15/70/04/609157004.db2.gz BQAFCIBLUZUGCL-UHFFFAOYSA-N 1 0 392.467 1.671 20 0 GDADRO Cc1cc(C(=O)NCCC[NH+]2CCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259043 609186518 /nfs/dbraw/zinc/18/65/18/609186518.db2.gz FUWICCBZYFYFLV-UHFFFAOYSA-N 1 0 380.456 1.577 20 0 GDADRO C[NH+](C)CCOc1cccc(NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825870535 609216440 /nfs/dbraw/zinc/21/64/40/609216440.db2.gz QISXKXVYMPXIME-QGZVFWFLSA-N 1 0 382.424 1.479 20 0 GDADRO C[C@@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000824420161 609228058 /nfs/dbraw/zinc/22/80/58/609228058.db2.gz GMHNNFAHSASJIR-KSSFIOAISA-N 1 0 380.452 1.537 20 0 GDADRO CC[NH+]1CCN(CCC(=O)NCc2nc3cc(Br)cnc3[nH]2)CC1 ZINC000530773207 649980013 /nfs/dbraw/zinc/98/00/13/649980013.db2.gz ZHIUCNXRNDOWRS-UHFFFAOYSA-N 1 0 395.305 1.364 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000826279719 609295403 /nfs/dbraw/zinc/29/54/03/609295403.db2.gz ZESXGUANUMRMDP-UHFFFAOYSA-N 1 0 378.502 1.528 20 0 GDADRO C[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824470459 609317978 /nfs/dbraw/zinc/31/79/78/609317978.db2.gz IGCBDMNMIPYKEL-QANKJYHBSA-N 1 0 384.484 1.669 20 0 GDADRO C[C@H](CN1CCCC1=O)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824412589 609336751 /nfs/dbraw/zinc/33/67/51/609336751.db2.gz BJIXSJIAGZMGRM-CYBMUJFWSA-N 1 0 380.456 1.368 20 0 GDADRO Cn1cc(C[NH2+]CC2(C(N)=O)CCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361463 609340862 /nfs/dbraw/zinc/34/08/62/609340862.db2.gz XVWQUYSOZBCZIG-UHFFFAOYSA-N 1 0 380.456 1.403 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CN1C1CC1 ZINC000824894350 609340951 /nfs/dbraw/zinc/34/09/51/609340951.db2.gz YQFWTEWRYUKFLQ-SUMWQHHRSA-N 1 0 378.484 1.982 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000826357445 609376735 /nfs/dbraw/zinc/37/67/35/609376735.db2.gz GFBODMSWTVIRND-KRWDZBQOSA-N 1 0 395.467 1.092 20 0 GDADRO O=C1[C@H]([NH2+]Cc2cccc3c2OCO3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476424 609413649 /nfs/dbraw/zinc/41/36/49/609413649.db2.gz HKPVVHFZAJOGFE-MRXNPFEDSA-N 1 0 392.419 1.881 20 0 GDADRO CC1(C)[C@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[C@@H]2CCO[C@H]21 ZINC000824784025 609416232 /nfs/dbraw/zinc/41/62/32/609416232.db2.gz MSQXFRIBANMQMU-YLFCFFPRSA-N 1 0 382.468 1.765 20 0 GDADRO COCC[NH+]1CCC(N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000826159606 609416842 /nfs/dbraw/zinc/41/68/42/609416842.db2.gz LFWZKADZERGAPO-SFHVURJKSA-N 1 0 399.499 1.063 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477217 609417763 /nfs/dbraw/zinc/41/77/63/609417763.db2.gz XWBRARPAWDDZMK-BRSBDYLESA-N 1 0 394.479 1.909 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000826249280 609419154 /nfs/dbraw/zinc/41/91/54/609419154.db2.gz TYYRWOZCKIBGPL-GOSISDBHSA-N 1 0 392.463 1.672 20 0 GDADRO [NH2+]=C(NOCc1cccc(-c2nn[nH]n2)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000826388474 609500476 /nfs/dbraw/zinc/50/04/76/609500476.db2.gz ALEHBRHKKZUUBS-GOSISDBHSA-N 1 0 393.451 1.766 20 0 GDADRO NC(=O)[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389403 609516046 /nfs/dbraw/zinc/51/60/46/609516046.db2.gz XBZCUZBQXACAOC-HNNXBMFYSA-N 1 0 376.342 1.643 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNc2ncc(Cl)c(C)c2-c2nn[nH]n2)CC1 ZINC000825460323 609536846 /nfs/dbraw/zinc/53/68/46/609536846.db2.gz TZKOVSMJVBBQFV-LBPRGKRZSA-N 1 0 378.912 1.909 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824936923 609538792 /nfs/dbraw/zinc/53/87/92/609538792.db2.gz NHQNWUHYPSPGMZ-NSHDSACASA-N 1 0 384.893 1.673 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259388 609573007 /nfs/dbraw/zinc/57/30/07/609573007.db2.gz QGKHVTWQBKECDG-JKSUJKDBSA-N 1 0 394.483 1.963 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C[C@H]1C ZINC000825443832 609602959 /nfs/dbraw/zinc/60/29/59/609602959.db2.gz GWZOTHWYOOIXOT-CABCVRRESA-N 1 0 394.483 1.916 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000530883322 649983438 /nfs/dbraw/zinc/98/34/38/649983438.db2.gz MRRJDXWSQRIGIN-NEPJUHHUSA-N 1 0 388.295 1.637 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000531865297 649998902 /nfs/dbraw/zinc/99/89/02/649998902.db2.gz BTLFCAQPHSWEHP-OAHLLOKOSA-N 1 0 375.535 1.313 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CN1C1CC1 ZINC000531940255 650002299 /nfs/dbraw/zinc/00/22/99/650002299.db2.gz CZSXUVGBDBOOSE-UONOGXRCSA-N 1 0 385.555 1.484 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000532196680 650018790 /nfs/dbraw/zinc/01/87/90/650018790.db2.gz CSCBYUIOKTYNGV-MEBBXXQBSA-N 1 0 383.901 1.986 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000532728165 650031511 /nfs/dbraw/zinc/03/15/11/650031511.db2.gz YNBDJWOYLNOCTK-ZDUSSCGKSA-N 1 0 390.303 1.531 20 0 GDADRO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C[C@H](C)O ZINC000532961544 650038943 /nfs/dbraw/zinc/03/89/43/650038943.db2.gz QZHGDJQQGMLDNB-LBPRGKRZSA-N 1 0 391.921 1.620 20 0 GDADRO NS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000533454519 650052973 /nfs/dbraw/zinc/05/29/73/650052973.db2.gz SSKFKPXUQUDRIJ-DOMZBBRYSA-N 1 0 383.539 1.413 20 0 GDADRO CC(C)C[C@H](NS(=O)(=O)Cc1ccccc1Cl)C(=O)NCC[NH+](C)C ZINC000533912165 650216099 /nfs/dbraw/zinc/21/60/99/650216099.db2.gz MRFBZKNBLQNQGZ-INIZCTEOSA-N 1 0 389.949 1.852 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1Br ZINC000534527003 650223995 /nfs/dbraw/zinc/22/39/95/650223995.db2.gz SAXLDAMNCRPOBD-UHFFFAOYSA-N 1 0 377.242 1.741 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCCNc1cc[nH+]cc1 ZINC000534521973 650224025 /nfs/dbraw/zinc/22/40/25/650224025.db2.gz NPGGJZPWSPBGKH-JTQLQIEISA-N 1 0 397.298 1.674 20 0 GDADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000535091802 650241801 /nfs/dbraw/zinc/24/18/01/650241801.db2.gz JNTVBONPXITQFO-ZDUSSCGKSA-N 1 0 393.285 1.757 20 0 GDADRO CS[C@@H]1CN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1[NH+](C)C ZINC000535664448 650253086 /nfs/dbraw/zinc/25/30/86/650253086.db2.gz ABDOFXYYPVVRFW-IAGOWNOFSA-N 1 0 387.571 1.293 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cnc2c1Cl ZINC000535753177 650255567 /nfs/dbraw/zinc/25/55/67/650255567.db2.gz TVXXTWLWDQINFY-JSGCOSHPSA-N 1 0 383.905 1.796 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000536018749 650263256 /nfs/dbraw/zinc/26/32/56/650263256.db2.gz PUAFUGSIDIZTAB-UHFFFAOYSA-N 1 0 377.242 1.741 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000536835547 650281479 /nfs/dbraw/zinc/28/14/79/650281479.db2.gz XWLGVIBJBMNIBW-GFCCVEGCSA-N 1 0 377.532 1.427 20 0 GDADRO C[C@@H](C(=O)N1CC([NH+](C)C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000537119317 650287260 /nfs/dbraw/zinc/28/72/60/650287260.db2.gz GXNWIMJBYCXAJN-VIFPVBQESA-N 1 0 380.242 1.206 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCSCC(F)(F)F)CC1 ZINC000537673309 650298606 /nfs/dbraw/zinc/29/86/06/650298606.db2.gz GUNNTPQTKGXTJG-UHFFFAOYSA-N 1 0 384.468 1.524 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc([S@](C)=O)cc1 ZINC000539369862 650333085 /nfs/dbraw/zinc/33/30/85/650333085.db2.gz QGSHWTBYPDRFRH-GDGGTJPCSA-N 1 0 386.539 1.109 20 0 GDADRO CS[C@H]1CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C[C@@H]1[NH+](C)C ZINC000539477326 650335447 /nfs/dbraw/zinc/33/54/47/650335447.db2.gz AFJBVXAMJUCXTN-GJZGRUSLSA-N 1 0 389.518 1.145 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1cc(F)ccc1I ZINC000539747002 650339346 /nfs/dbraw/zinc/33/93/46/650339346.db2.gz GTYHCTMMTIPKPR-UHFFFAOYSA-N 1 0 380.201 1.738 20 0 GDADRO CS[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(C)cc2)C[C@H]1[NH+](C)C ZINC000540124282 650349916 /nfs/dbraw/zinc/34/99/16/650349916.db2.gz GIHIAGNNXGUEQX-HZPDHXFCSA-N 1 0 385.555 1.167 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000540146378 650350213 /nfs/dbraw/zinc/35/02/13/650350213.db2.gz GIDOBRIJKVQLRA-ZWNOBZJWSA-N 1 0 380.279 1.922 20 0 GDADRO CCN(CC)c1ncc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)s1 ZINC000540613570 650364987 /nfs/dbraw/zinc/36/49/87/650364987.db2.gz DSRIBJKHMMVZPL-CQSZACIVSA-N 1 0 390.575 1.567 20 0 GDADRO Cc1oc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000540627151 650366246 /nfs/dbraw/zinc/36/62/46/650366246.db2.gz FQIIAUMACKUTDX-CQSZACIVSA-N 1 0 385.873 1.922 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000541237267 650380241 /nfs/dbraw/zinc/38/02/41/650380241.db2.gz CRCSGZIQRJTGKN-CYBMUJFWSA-N 1 0 398.301 1.814 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000542047405 650398327 /nfs/dbraw/zinc/39/83/27/650398327.db2.gz UAPRZQHPZYMJJI-AWEZNQCLSA-N 1 0 376.450 1.247 20 0 GDADRO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc([S@](C)=O)cc1 ZINC000542048234 650398351 /nfs/dbraw/zinc/39/83/51/650398351.db2.gz UTJDOXABDFCHOD-OZAJXLCCSA-N 1 0 382.507 1.801 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(S(N)(=O)=O)c1 ZINC000542133864 650399475 /nfs/dbraw/zinc/39/94/75/650399475.db2.gz FBUKQDXZVSNKLD-GWCFXTLKSA-N 1 0 379.404 1.538 20 0 GDADRO NS(=O)(=O)c1cc(Br)cnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000542801171 650413117 /nfs/dbraw/zinc/41/31/17/650413117.db2.gz RTMIYDSNCBJNFT-LBPRGKRZSA-N 1 0 389.319 1.556 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC000543066988 650417587 /nfs/dbraw/zinc/41/75/87/650417587.db2.gz LIYSXZUMTWFWEG-LBPRGKRZSA-N 1 0 389.905 1.691 20 0 GDADRO COCCN(C(=O)C[NH2+][C@H](c1cccs1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000543439259 650422556 /nfs/dbraw/zinc/42/25/56/650422556.db2.gz AMLRBZFCJAJKOU-PBHICJAKSA-N 1 0 386.539 1.451 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc(Br)cc2S(N)(=O)=O)C1 ZINC000543722663 650429105 /nfs/dbraw/zinc/42/91/05/650429105.db2.gz VBTSYNMGNMOOQA-JTQLQIEISA-N 1 0 377.308 1.634 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000544605436 650441829 /nfs/dbraw/zinc/44/18/29/650441829.db2.gz RVHLIIUCTLMHHM-CQSZACIVSA-N 1 0 388.555 1.802 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000544587790 650441315 /nfs/dbraw/zinc/44/13/15/650441315.db2.gz JAJSTMPKANEDNJ-UHFFFAOYSA-N 1 0 375.466 1.285 20 0 GDADRO CCc1ncc(S(=O)(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000545184104 650450805 /nfs/dbraw/zinc/45/08/05/650450805.db2.gz XPSYBCIOUBPELK-YIONKMFJSA-N 1 0 384.571 1.637 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545853647 650462531 /nfs/dbraw/zinc/46/25/31/650462531.db2.gz IWFFDBSBFKPGLZ-MRXNPFEDSA-N 1 0 384.274 1.187 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000545863434 650462719 /nfs/dbraw/zinc/46/27/19/650462719.db2.gz FTBAMIJTGBDNQI-CYBMUJFWSA-N 1 0 378.185 1.227 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000546569737 650479246 /nfs/dbraw/zinc/47/92/46/650479246.db2.gz PLHVFBWYULYDTK-INIZCTEOSA-N 1 0 380.242 1.499 20 0 GDADRO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000547275455 650493390 /nfs/dbraw/zinc/49/33/90/650493390.db2.gz DFSDRFRSSURHDK-SJCJKPOMSA-N 1 0 383.286 1.841 20 0 GDADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ncc(I)cn1 ZINC000548036459 650528511 /nfs/dbraw/zinc/52/85/11/650528511.db2.gz UPACUOYLGAYLJJ-SNVBAGLBSA-N 1 0 376.242 1.363 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000549204201 650571989 /nfs/dbraw/zinc/57/19/89/650571989.db2.gz FXTKXVOTUVKCSV-GJZGRUSLSA-N 1 0 385.555 1.297 20 0 GDADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000549611368 650579626 /nfs/dbraw/zinc/57/96/26/650579626.db2.gz MGEBQBNIUCCMTG-MRVPVSSYSA-N 1 0 378.654 1.080 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1F ZINC000549522233 650578441 /nfs/dbraw/zinc/57/84/41/650578441.db2.gz NDAODTNPEOQHRU-UHFFFAOYSA-N 1 0 392.518 1.774 20 0 GDADRO COc1ccc(CC[NH2+]Cc2ncc(CSC)s2)cc1S(N)(=O)=O ZINC000549780927 650583153 /nfs/dbraw/zinc/58/31/53/650583153.db2.gz YPYLDNOFJOLEOV-UHFFFAOYSA-N 1 0 387.552 1.994 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000550417190 650592211 /nfs/dbraw/zinc/59/22/11/650592211.db2.gz BQISZBXVZQVYRU-UHFFFAOYSA-N 1 0 376.284 1.694 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000550634001 650595934 /nfs/dbraw/zinc/59/59/34/650595934.db2.gz GURRDMIMAQPNLX-VIFPVBQESA-N 1 0 376.404 1.787 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(OCCO)CCOCC1 ZINC000550934080 650598720 /nfs/dbraw/zinc/59/87/20/650598720.db2.gz UISLXBLGMSYADG-ZDUSSCGKSA-N 1 0 389.290 1.147 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(OCCO)CCOCC1 ZINC000550934079 650598741 /nfs/dbraw/zinc/59/87/41/650598741.db2.gz UISLXBLGMSYADG-CYBMUJFWSA-N 1 0 389.290 1.147 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCc3c(Cl)cccc3C2)CCSC1 ZINC000551211000 650601417 /nfs/dbraw/zinc/60/14/17/650601417.db2.gz MOSHJRGAMDWFQN-SFHVURJKSA-N 1 0 381.929 1.778 20 0 GDADRO CN1CCN([C@H](C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c2cccs2)CC1 ZINC000552072217 650618797 /nfs/dbraw/zinc/61/87/97/650618797.db2.gz LSZAPXLFQHOZGJ-IXDOHACOSA-N 1 0 385.599 1.982 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(CC(F)(F)F)C(=O)C1)c1ccsc1 ZINC000553390979 650644772 /nfs/dbraw/zinc/64/47/72/650644772.db2.gz SDVFOADKIUFCLJ-LBPRGKRZSA-N 1 0 378.420 1.767 20 0 GDADRO COc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)sc1S(N)(=O)=O ZINC000553528437 650650700 /nfs/dbraw/zinc/65/07/00/650650700.db2.gz NYHXFYWEPQWEKP-LLVKDONJSA-N 1 0 387.527 1.351 20 0 GDADRO O=S(=O)(CC1CCS(=O)(=O)CC1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000553798464 650657944 /nfs/dbraw/zinc/65/79/44/650657944.db2.gz QKWBOCASBFWLBJ-UHFFFAOYSA-N 1 0 392.587 1.339 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cn1 ZINC000554029436 650666695 /nfs/dbraw/zinc/66/66/95/650666695.db2.gz IVBADXCJDFHXRV-GVXVVHGQSA-N 1 0 383.290 1.620 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000556009474 650698166 /nfs/dbraw/zinc/69/81/66/650698166.db2.gz HJYATSUXIJZJDP-GZMMTYOYSA-N 1 0 376.404 1.785 20 0 GDADRO Cc1ncc(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000556303288 650701754 /nfs/dbraw/zinc/70/17/54/650701754.db2.gz LMBYAOIZAMTSCC-UHFFFAOYSA-N 1 0 382.555 1.546 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000556408804 650705094 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GDADRO O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccc(I)cc1 ZINC000420330235 645940376 /nfs/dbraw/zinc/94/03/76/645940376.db2.gz AMLGOCCUMVECPX-SMDDNHRTSA-N 1 0 385.249 1.914 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000420337427 645940410 /nfs/dbraw/zinc/94/04/10/645940410.db2.gz MCFSJKMMBXYWIL-HUUCEWRRSA-N 1 0 388.555 1.326 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347803 645940966 /nfs/dbraw/zinc/94/09/66/645940966.db2.gz IOUAXBVAGKDTIX-KBPBESRZSA-N 1 0 381.318 1.756 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@H](C[NH3+])C(C)(C)C ZINC000420370955 645942219 /nfs/dbraw/zinc/94/22/19/645942219.db2.gz WHBTVXGXFGUYBR-MRXNPFEDSA-N 1 0 390.571 1.607 20 0 GDADRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@H](C)C[NH2+]1 ZINC000420393538 645942552 /nfs/dbraw/zinc/94/25/52/645942552.db2.gz JWGBWIPEVYPVPH-VXGBXAGGSA-N 1 0 388.921 1.211 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420473571 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396.285 1.175 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCc4c3cccc4Br)C2)C1 ZINC000421231703 645993721 /nfs/dbraw/zinc/99/37/21/645993721.db2.gz XMFVAERLFJZROM-GOSISDBHSA-N 1 0 392.297 1.892 20 0 GDADRO Cc1c(Cl)c(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)nn1C ZINC000421355732 646007459 /nfs/dbraw/zinc/00/74/59/646007459.db2.gz JOMYGYHLGPSVPS-UHFFFAOYSA-N 1 0 385.921 1.834 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc2nnc(SC[C@H]3CCC[N@@H+]3C)n2c1 ZINC000916500775 660194256 /nfs/dbraw/zinc/19/42/56/660194256.db2.gz VXDMIBWRKQSMAI-CYBMUJFWSA-N 1 0 383.543 1.946 20 0 GDADRO C[NH+]1CCC(CCNC(=O)C(=O)NCCc2cccc(Br)c2)CC1 ZINC000422266646 646053368 /nfs/dbraw/zinc/05/33/68/646053368.db2.gz HKZVAFOMKKAQCR-UHFFFAOYSA-N 1 0 396.329 1.956 20 0 GDADRO Cn1cnc(CCNC(=O)C(=O)N2CCc3cc(Br)ccc3C2)c1 ZINC000422479552 646070060 /nfs/dbraw/zinc/07/00/60/646070060.db2.gz RYMWGLHJBILYOH-UHFFFAOYSA-N 1 0 391.269 1.426 20 0 GDADRO CC(C)(CC[NH3+])NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000422551379 646077560 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Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000575802146 651604432 /nfs/dbraw/zinc/60/44/32/651604432.db2.gz FUBZCLXOXPZRKW-CQSZACIVSA-N 1 0 375.441 1.085 20 0 GDADRO C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)[C@H](C)[NH3+] ZINC000576038567 651622083 /nfs/dbraw/zinc/62/20/83/651622083.db2.gz BGQSAZSEBDNTMU-QWHCGFSZSA-N 1 0 381.523 1.735 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000576175003 651641376 /nfs/dbraw/zinc/64/13/76/651641376.db2.gz JCJWIULDNQNBFK-LBPRGKRZSA-N 1 0 393.289 1.048 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)c(Br)cc3F)C[C@@H]12 ZINC000576252186 651651288 /nfs/dbraw/zinc/65/12/88/651651288.db2.gz UUDZIYQMHHYBIK-DNSOKLHBSA-N 1 0 388.212 1.862 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(Cc3cc(Br)c4c(c3)OCCCO4)CCN2C1=O ZINC000576410349 651661494 /nfs/dbraw/zinc/66/14/94/651661494.db2.gz ISXNTJUXRUGWTN-GXTWGEPZSA-N 1 0 396.285 1.354 20 0 GDADRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000576465534 651666838 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Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577231417 651718093 /nfs/dbraw/zinc/71/80/93/651718093.db2.gz KARXDJMGJQURKX-WCQYABFASA-N 1 0 383.857 1.327 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000577512024 651734732 /nfs/dbraw/zinc/73/47/32/651734732.db2.gz GZDCPAJCOKHMFH-CHWSQXEVSA-N 1 0 377.532 1.121 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000577511998 651734750 /nfs/dbraw/zinc/73/47/50/651734750.db2.gz GNLMTLFSROZVNN-NWDGAFQWSA-N 1 0 375.560 1.857 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)NCCc3ccc(Br)s3)C[C@H]2[NH3+])cn1 ZINC000577721639 651746673 /nfs/dbraw/zinc/74/66/73/651746673.db2.gz XHZJOHNMRVNRRS-QWHCGFSZSA-N 1 0 398.330 1.923 20 0 GDADRO CN1C[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1=O ZINC000577722013 651746700 /nfs/dbraw/zinc/74/67/00/651746700.db2.gz CMAHJRFKGBFUNA-MNOVXSKESA-N 1 0 377.666 1.663 20 0 GDADRO O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@H]1c1ccccc1I ZINC000577728142 651747930 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1.923 20 0 GDADRO O=C(COc1cccc(I)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000578887782 651822296 /nfs/dbraw/zinc/82/22/96/651822296.db2.gz KKTPJBMLSFKOCE-VXGBXAGGSA-N 1 0 386.233 1.738 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000579008419 651832175 /nfs/dbraw/zinc/83/21/75/651832175.db2.gz PIJGPLCYPJWEPV-NXEZZACHSA-N 1 0 380.297 1.467 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)COc2cccc(C)c2)s1 ZINC000579112736 651838926 /nfs/dbraw/zinc/83/89/26/651838926.db2.gz MLUXQGNVVZNJGE-HNNXBMFYSA-N 1 0 384.523 1.673 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCC1(O)CCC1 ZINC000579223788 651841994 /nfs/dbraw/zinc/84/19/94/651841994.db2.gz UFIQLRAZQPBPQB-UHFFFAOYSA-N 1 0 389.539 1.539 20 0 GDADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000579227635 651842625 /nfs/dbraw/zinc/84/26/25/651842625.db2.gz WCLCGLJSXPBINR-YGRLFVJLSA-N 1 0 386.315 1.887 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000579231696 651843015 /nfs/dbraw/zinc/84/30/15/651843015.db2.gz PXCQWCMNVCHEIC-LOWVWBTDSA-N 1 0 387.311 1.930 20 0 GDADRO C[C@@H]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000579465204 651861312 /nfs/dbraw/zinc/86/13/12/651861312.db2.gz OGOBJDHMCJZFPC-HUUCEWRRSA-N 1 0 388.555 1.736 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000579462921 651861334 /nfs/dbraw/zinc/86/13/34/651861334.db2.gz LRKGILVHPDXQOC-ONGXEEELSA-N 1 0 380.242 1.254 20 0 GDADRO C[C@@H]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000579465202 651861546 /nfs/dbraw/zinc/86/15/46/651861546.db2.gz OGOBJDHMCJZFPC-CABCVRRESA-N 1 0 388.555 1.736 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2scnc2C(F)(F)F)CC1 ZINC000579490949 651862686 /nfs/dbraw/zinc/86/26/86/651862686.db2.gz MSKSVPBAZMWVOG-UHFFFAOYSA-N 1 0 378.420 1.788 20 0 GDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCc2cc(Br)cc(F)c2C1 ZINC000579626289 651873075 /nfs/dbraw/zinc/87/30/75/651873075.db2.gz QIGXBQKESOZDGR-INIZCTEOSA-N 1 0 382.277 1.863 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000579950673 651887603 /nfs/dbraw/zinc/88/76/03/651887603.db2.gz NFLQAOLVDQEBDA-AWEZNQCLSA-N 1 0 375.441 1.443 20 0 GDADRO O=C([C@@H]1CCCN(S(=O)(=O)c2sccc2Cl)C1)N1CC[NH2+]CC1 ZINC000580073751 651893608 /nfs/dbraw/zinc/89/36/08/651893608.db2.gz TXRMEDJDAYVJGX-LLVKDONJSA-N 1 0 377.919 1.234 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(Cl)cc1F ZINC000580183822 651902113 /nfs/dbraw/zinc/90/21/13/651902113.db2.gz WILBUKDIUZYYFS-HNNXBMFYSA-N 1 0 386.876 1.951 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cc(F)ccc2Br)n1 ZINC000580263509 651908217 /nfs/dbraw/zinc/90/82/17/651908217.db2.gz QUEURSIPAWKEQR-UHFFFAOYSA-N 1 0 398.236 1.924 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000580325877 651912330 /nfs/dbraw/zinc/91/23/30/651912330.db2.gz BDEXNMAFBFFAKI-DTWKUNHWSA-N 1 0 388.262 1.647 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3ccc(Cl)c(Br)c3)CCN2C1=O ZINC000580451787 651917639 /nfs/dbraw/zinc/91/76/39/651917639.db2.gz LKIWINMLHCZJSU-SKDRFNHKSA-N 1 0 387.665 1.878 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3ccc(Cl)c(Br)c3)CCN2C1=O ZINC000580451786 651917692 /nfs/dbraw/zinc/91/76/92/651917692.db2.gz LKIWINMLHCZJSU-JOYOIKCWSA-N 1 0 387.665 1.878 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000580552676 651925211 /nfs/dbraw/zinc/92/52/11/651925211.db2.gz RTNKDEHHNMVTNJ-LBPRGKRZSA-N 1 0 387.267 1.306 20 0 GDADRO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000580551366 651925267 /nfs/dbraw/zinc/92/52/67/651925267.db2.gz LAZFFBQPLVCLDH-LSDHHAIUSA-N 1 0 385.507 1.221 20 0 GDADRO CCOc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)cc1Br ZINC000580633925 651930070 /nfs/dbraw/zinc/93/00/70/651930070.db2.gz WPWJXWNTQXKKAU-NSHDSACASA-N 1 0 393.303 1.505 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000580713072 651935813 /nfs/dbraw/zinc/93/58/13/651935813.db2.gz PVKYAKMENKBHGG-WDMOLILDSA-N 1 0 383.290 1.757 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000580895299 651946306 /nfs/dbraw/zinc/94/63/06/651946306.db2.gz VUVKMZJKUUGVDE-CQSZACIVSA-N 1 0 380.297 1.469 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000581005185 651953412 /nfs/dbraw/zinc/95/34/12/651953412.db2.gz VZFHFHBKJNGEIZ-AWEZNQCLSA-N 1 0 388.921 1.354 20 0 GDADRO CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000581140019 651961459 /nfs/dbraw/zinc/96/14/59/651961459.db2.gz JBXQBEUXRMHZJR-JKSUJKDBSA-N 1 0 385.599 1.972 20 0 GDADRO O=C(NCCc1ccc(Br)s1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000581185577 651964186 /nfs/dbraw/zinc/96/41/86/651964186.db2.gz ZBJJOYKUPJESND-JTQLQIEISA-N 1 0 384.303 1.999 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2sccc2Br)C1 ZINC000581302691 651970387 /nfs/dbraw/zinc/97/03/87/651970387.db2.gz JHJHJGVJLNLAHG-SNVBAGLBSA-N 1 0 382.349 1.871 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000581339738 651973220 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Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000582784182 652015421 /nfs/dbraw/zinc/01/54/21/652015421.db2.gz LFMDMTMBZFDDSN-SNVBAGLBSA-N 1 0 375.288 1.643 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000582960122 652021953 /nfs/dbraw/zinc/02/19/53/652021953.db2.gz AIXFMQKNXZLMDP-QWRGUYRKSA-N 1 0 385.313 1.651 20 0 GDADRO OC[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H]1O ZINC000583463660 652040110 /nfs/dbraw/zinc/04/01/10/652040110.db2.gz LAXYWJYJDHOEOT-VHRBIJSZSA-N 1 0 394.693 1.517 20 0 GDADRO O=C(CCc1cc(Cl)ccc1Br)NCC(=O)N1CC[NH2+]CC1 ZINC000584107875 652054245 /nfs/dbraw/zinc/05/42/45/652054245.db2.gz XYRDXGLAZHFCAI-UHFFFAOYSA-N 1 0 388.693 1.583 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCOc2cccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000584162781 652057994 /nfs/dbraw/zinc/05/79/94/652057994.db2.gz IJDBBIGAHLPNRK-NWDGAFQWSA-N 1 0 388.295 1.932 20 0 GDADRO C[C@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)C(=O)NCC[NH+](C)C ZINC000584194439 652060432 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GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1OC ZINC000592375437 652184484 /nfs/dbraw/zinc/18/44/84/652184484.db2.gz KSQWARUJBHLNKN-LBPRGKRZSA-N 1 0 388.873 1.650 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N(C)C2C[NH2+]C2)c1 ZINC000592389161 652187355 /nfs/dbraw/zinc/18/73/55/652187355.db2.gz LSKCENHAZGOQFS-UHFFFAOYSA-N 1 0 377.260 1.218 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)COc1ccc(F)cc1Br ZINC000592549961 652194299 /nfs/dbraw/zinc/19/42/99/652194299.db2.gz QFKMRVPIVOHNDD-GFCCVEGCSA-N 1 0 389.221 1.331 20 0 GDADRO O=C(CSCc1cc(=O)n2ccsc2n1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592569711 652196063 /nfs/dbraw/zinc/19/60/63/652196063.db2.gz BPSUPAQXZCNYDD-ZDUSSCGKSA-N 1 0 378.523 1.780 20 0 GDADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052611 652209158 /nfs/dbraw/zinc/20/91/58/652209158.db2.gz RCEBINGRHNNPCN-INIZCTEOSA-N 1 0 388.295 1.913 20 0 GDADRO C[NH+](C)CCN1CCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1=O ZINC000593050824 652209416 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C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1Br ZINC000595261591 652400645 /nfs/dbraw/zinc/40/06/45/652400645.db2.gz YAJSCCDWZQNFPE-MISXGVKJSA-N 1 0 381.274 1.464 20 0 GDADRO COC(=O)[C@H](c1ccccc1Br)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000595534631 652419108 /nfs/dbraw/zinc/41/91/08/652419108.db2.gz IZMJASGBQWAHMW-WFASDCNBSA-N 1 0 399.285 1.700 20 0 GDADRO CSC1(CNC(=O)NCC2(S(C)(=O)=O)CCCCC2)CC[NH+](C)CC1 ZINC000595637459 652421721 /nfs/dbraw/zinc/42/17/21/652421721.db2.gz WZCIQOQSFIMXMC-UHFFFAOYSA-N 1 0 391.603 1.861 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000595904732 652425862 /nfs/dbraw/zinc/42/58/62/652425862.db2.gz CCNTWXWNNHKFEW-VIFPVBQESA-N 1 0 377.304 1.925 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000595940517 652427948 /nfs/dbraw/zinc/42/79/48/652427948.db2.gz FOVUDDFGJQGJJU-CQSZACIVSA-N 1 0 384.274 1.378 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2sc3c(c2I)CNC3)CC[NH2+]1 ZINC000595951892 652429519 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CS[C@H](CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C(C)(C)C ZINC000599945005 652519547 /nfs/dbraw/zinc/51/95/47/652519547.db2.gz ZNEMNCKESWGMTG-QJPTWQEYSA-N 1 0 383.480 1.866 20 0 GDADRO CS[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000599947220 652519848 /nfs/dbraw/zinc/51/98/48/652519848.db2.gz UIIFGZLWFYTFCH-WUHRBBMRSA-N 1 0 381.464 1.763 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cc(C)c(Br)cn1 ZINC000600158108 652529421 /nfs/dbraw/zinc/52/94/21/652529421.db2.gz GROSIZNNYUSPAQ-UHFFFAOYSA-N 1 0 399.333 1.375 20 0 GDADRO Cn1ncc(I)c1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600314842 652532889 /nfs/dbraw/zinc/53/28/89/652532889.db2.gz PWWRAKRJLBOKLO-SNVBAGLBSA-N 1 0 376.242 1.486 20 0 GDADRO CS[C@@H]1CCCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000600796479 652553838 /nfs/dbraw/zinc/55/38/38/652553838.db2.gz HXZYJSGSWOKWGS-JHJVBQTASA-N 1 0 381.464 1.716 20 0 GDADRO COC(=O)c1ccc(OC)cc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000601380981 652573655 /nfs/dbraw/zinc/57/36/55/652573655.db2.gz URWFJVZAJWIJKQ-UONOGXRCSA-N 1 0 388.511 1.148 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c(C(=O)OC)s1 ZINC000601421849 652579385 /nfs/dbraw/zinc/57/93/85/652579385.db2.gz MAKCNWHVFPTORZ-NXEZZACHSA-N 1 0 390.483 1.034 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)s1 ZINC000601522510 652591970 /nfs/dbraw/zinc/59/19/70/652591970.db2.gz RMJQFZCCIGPUIY-UHFFFAOYSA-N 1 0 381.479 1.831 20 0 GDADRO COC(=O)c1c(Br)ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1C ZINC000601571508 652594715 /nfs/dbraw/zinc/59/47/15/652594715.db2.gz CIPHVIGMUUHYOU-UWVGGRQHSA-N 1 0 396.241 1.055 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000601575717 652595201 /nfs/dbraw/zinc/59/52/01/652595201.db2.gz RNYUNUUFCMYKFB-GXSJLCMTSA-N 1 0 387.221 1.486 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2nn(C)cc2I)C[C@H]1C ZINC000602300671 652629004 /nfs/dbraw/zinc/62/90/04/652629004.db2.gz NGAQWQBSSCQFQU-NXEZZACHSA-N 1 0 376.242 1.579 20 0 GDADRO Cn1cc(I)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000602354999 652632956 /nfs/dbraw/zinc/63/29/56/652632956.db2.gz NVYXIPPSDUHXIZ-VXGBXAGGSA-N 1 0 388.253 1.771 20 0 GDADRO C[S@](=O)C1(C(=O)NCc2cccnc2OCC(F)(F)F)CC[NH2+]CC1 ZINC000602472282 652639007 /nfs/dbraw/zinc/63/90/07/652639007.db2.gz CSESLPHXHBJUIG-VWLOTQADSA-N 1 0 379.404 1.140 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000602494245 652639873 /nfs/dbraw/zinc/63/98/73/652639873.db2.gz RXRJYUMHCARMGB-LLVKDONJSA-N 1 0 379.404 1.544 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)c1c(F)cccc1I ZINC000602546846 652640592 /nfs/dbraw/zinc/64/05/92/652640592.db2.gz GMKAIYILAZCNQC-UHFFFAOYSA-N 1 0 380.201 1.738 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(I)cc1Cl ZINC000602549080 652640884 /nfs/dbraw/zinc/64/08/84/652640884.db2.gz BMYGEAVSIVUNPF-SECBINFHSA-N 1 0 380.613 1.663 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000602548641 652640910 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CCOC(=O)c1nnn(C2CC[NH+](C[C@@H](O)CSC)CC2)c1C(F)F ZINC000602968906 652662787 /nfs/dbraw/zinc/66/27/87/652662787.db2.gz SYVXMADWQOMGLN-LLVKDONJSA-N 1 0 378.445 1.753 20 0 GDADRO CC[C@H](C)[NH+]1CCN(C(=O)c2nn(C)cc2I)CC1 ZINC000603067811 652676310 /nfs/dbraw/zinc/67/63/10/652676310.db2.gz VWCFNBRTJKXRPC-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO CCC(C)(C)[NH+]1CCN(C(=O)c2nn(C)cc2I)CC1 ZINC000603146458 652680443 /nfs/dbraw/zinc/68/04/43/652680443.db2.gz QXUYGLAGRXSCME-UHFFFAOYSA-N 1 0 390.269 1.971 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000603658513 652728044 /nfs/dbraw/zinc/72/80/44/652728044.db2.gz ZFEYSCJPPFGWAZ-JKSUJKDBSA-N 1 0 375.535 1.360 20 0 GDADRO COCCN(CCOC)S(=O)(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000604410778 652740525 /nfs/dbraw/zinc/74/05/25/652740525.db2.gz AFUUKWXKPBGKAE-UHFFFAOYSA-N 1 0 377.551 1.022 20 0 GDADRO O=C(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)Nc1cccc(Br)c1 ZINC000605593171 652762178 /nfs/dbraw/zinc/76/21/78/652762178.db2.gz CPRIKGORLZWVTN-LLVKDONJSA-N 1 0 375.288 1.802 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCOc2cccc(Br)c2)C1 ZINC000605850046 652765441 /nfs/dbraw/zinc/76/54/41/652765441.db2.gz UQLVOEXLJQNILU-AWEZNQCLSA-N 1 0 386.290 1.848 20 0 GDADRO CC(C)[C@@H](CNC(=O)NCc1n[nH]cc1Br)[NH+]1CCN(C)CC1 ZINC000606633532 652776342 /nfs/dbraw/zinc/77/63/42/652776342.db2.gz BZOAEPQEOPROOC-CQSZACIVSA-N 1 0 387.326 1.243 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)C1 ZINC000608167843 652818813 /nfs/dbraw/zinc/81/88/13/652818813.db2.gz BGRNMPFCFGMPLT-AWEZNQCLSA-N 1 0 379.507 1.742 20 0 GDADRO C[C@@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)C1CC[NH+](C)CC1 ZINC000609583356 652850353 /nfs/dbraw/zinc/85/03/53/652850353.db2.gz BQTZUQDTGQHHNM-GFCCVEGCSA-N 1 0 380.539 1.836 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC000609598042 652851220 /nfs/dbraw/zinc/85/12/20/652851220.db2.gz KAMFZFSNRNTMKT-HOTGVXAUSA-N 1 0 375.535 1.360 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1)[NH+]1CCCC1 ZINC000609687956 652854959 /nfs/dbraw/zinc/85/49/59/652854959.db2.gz RZFACTVPPPXCEJ-VDBVYFBLSA-N 1 0 385.917 1.758 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000609977635 652866402 /nfs/dbraw/zinc/86/64/02/652866402.db2.gz BKCIHXAOYBCLML-JKSUJKDBSA-N 1 0 391.603 1.524 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000610292830 652879946 /nfs/dbraw/zinc/87/99/46/652879946.db2.gz PVOVRDSDFJXCOS-JTQLQIEISA-N 1 0 384.221 1.992 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000610292832 652880102 /nfs/dbraw/zinc/88/01/02/652880102.db2.gz PVOVRDSDFJXCOS-SNVBAGLBSA-N 1 0 384.221 1.992 20 0 GDADRO CS[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C[C@H]1[NH+](C)C ZINC000611217406 652911628 /nfs/dbraw/zinc/91/16/28/652911628.db2.gz QVIFERZHQHFASL-CVEARBPZSA-N 1 0 383.539 1.245 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000612057752 652929237 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GDADRO C[NH+](C)CC1CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000615511851 652963575 /nfs/dbraw/zinc/96/35/75/652963575.db2.gz HTIVPENEJOEMDP-UHFFFAOYSA-N 1 0 393.285 1.569 20 0 GDADRO C[NH+](C)CC1CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000615513787 652963605 /nfs/dbraw/zinc/96/36/05/652963605.db2.gz ZBUHBCVRPQYQIE-ZDUSSCGKSA-N 1 0 380.286 1.822 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000617351204 652972981 /nfs/dbraw/zinc/97/29/81/652972981.db2.gz HJJTVOGSTLBMGA-KGLIPLIRSA-N 1 0 385.555 1.890 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617356661 652972983 /nfs/dbraw/zinc/97/29/83/652972983.db2.gz NGTXSCSLKARCRD-GXTWGEPZSA-N 1 0 387.933 1.996 20 0 GDADRO C[C@H](CCNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000617745851 652976115 /nfs/dbraw/zinc/97/61/15/652976115.db2.gz XAUOWDAFDXBYNO-LLVKDONJSA-N 1 0 381.420 1.440 20 0 GDADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ncc(Br)s2)CC1 ZINC000617991124 652979170 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/nfs/dbraw/zinc/00/29/03/653002903.db2.gz PLHZBWGMYOHBKC-UHFFFAOYSA-N 1 0 384.274 1.497 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623017525 653003104 /nfs/dbraw/zinc/00/31/04/653003104.db2.gz YSMSXRBIAZFKHU-GFCCVEGCSA-N 1 0 393.289 1.885 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(cc1Br)OCO2 ZINC000623021311 653003244 /nfs/dbraw/zinc/00/32/44/653003244.db2.gz MGNMTNVDDPYMJQ-LLVKDONJSA-N 1 0 385.258 1.754 20 0 GDADRO CN(C)S(=O)(=O)N1CC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000624283498 653011441 /nfs/dbraw/zinc/01/14/41/653011441.db2.gz QKONOMWHJHZLMD-CQSZACIVSA-N 1 0 379.404 1.653 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)CCc2c(F)cccc2F)CC1 ZINC000625067254 653016583 /nfs/dbraw/zinc/01/65/83/653016583.db2.gz XWBAZJUKCJVQLO-UHFFFAOYSA-N 1 0 376.469 1.662 20 0 GDADRO C[C@H](C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)CS(C)(=O)=O ZINC000625794263 653045204 /nfs/dbraw/zinc/04/52/04/653045204.db2.gz FSKYQXZEZQTTQX-WBMJQRKESA-N 1 0 390.343 1.939 20 0 GDADRO CS(=O)(=O)CCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795374 653045374 /nfs/dbraw/zinc/04/53/74/653045374.db2.gz TUXJOUDFXCXPCF-HNNXBMFYSA-N 1 0 376.316 1.693 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)CC[NH2+]1 ZINC000626831503 653061708 /nfs/dbraw/zinc/06/17/08/653061708.db2.gz DUCCSKPSYUHOGM-LLVKDONJSA-N 1 0 378.270 1.648 20 0 GDADRO [NH3+]CC1(NC(=O)C(=O)Nc2ccc(F)c(Br)c2F)CCOCC1 ZINC000626884767 653063134 /nfs/dbraw/zinc/06/31/34/653063134.db2.gz SGAGJZKJKSLQLR-UHFFFAOYSA-N 1 0 392.200 1.290 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626890735 653063333 /nfs/dbraw/zinc/06/33/33/653063333.db2.gz PQXUSJIZLLKADQ-JQWIXIFHSA-N 1 0 387.889 1.329 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C[NH2+]1 ZINC000626890919 653063361 /nfs/dbraw/zinc/06/33/61/653063361.db2.gz RKFLRLPTQRLWMH-JGVFFNPUSA-N 1 0 376.201 1.923 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C[NH2+]1 ZINC000626890921 653063519 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C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627292874 653071798 /nfs/dbraw/zinc/07/17/98/653071798.db2.gz GGJUCQCSOUOPJQ-LBPRGKRZSA-N 1 0 398.301 1.120 20 0 GDADRO O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627320268 653072103 /nfs/dbraw/zinc/07/21/03/653072103.db2.gz XGUTWIUPZLBKDC-ZDUSSCGKSA-N 1 0 378.885 1.967 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627337411 653072658 /nfs/dbraw/zinc/07/26/58/653072658.db2.gz CHWKWNUQNMWDKG-CQSZACIVSA-N 1 0 380.286 1.509 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000627346285 653073051 /nfs/dbraw/zinc/07/30/51/653073051.db2.gz LJOUJJSRGMSZPF-GFCCVEGCSA-N 1 0 390.311 1.735 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627353077 653073356 /nfs/dbraw/zinc/07/33/56/653073356.db2.gz REKCGEPWPLZLLB-AWEZNQCLSA-N 1 0 396.285 1.475 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)N(CC)CC[NH3+])Cc1cccc(Br)c1 ZINC000627354219 653073371 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380.297 1.530 20 0 GDADRO O[C@H](C[NH+]1CCN(c2cccc(Br)c2)CC1)CC1(O)CCOCC1 ZINC000630040361 653198547 /nfs/dbraw/zinc/19/85/47/653198547.db2.gz HIZIYFMHOLGLPP-KRWDZBQOSA-N 1 0 399.329 1.864 20 0 GDADRO CO[C@@H]1CN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)[C@](C)(C[NH3+])C1 ZINC000630358757 653204805 /nfs/dbraw/zinc/20/48/05/653204805.db2.gz BKMVFUAEECDRGO-NHYWBVRUSA-N 1 0 379.885 1.594 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2c(C)c(Br)c[nH]c2=O)CC1 ZINC000630733946 653221603 /nfs/dbraw/zinc/22/16/03/653221603.db2.gz LEBBOXWGNGDSSQ-UHFFFAOYSA-N 1 0 385.306 1.616 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)NCc2cc3c(c(Br)c2)OCO3)cn1 ZINC000630830752 653224239 /nfs/dbraw/zinc/22/42/39/653224239.db2.gz IERLXOSAYHODCQ-UHFFFAOYSA-N 1 0 395.257 1.866 20 0 GDADRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCO1 ZINC000631154101 653230343 /nfs/dbraw/zinc/23/03/43/653230343.db2.gz DTOOXTKFPFSINN-GXTWGEPZSA-N 1 0 384.889 1.731 20 0 GDADRO C[C@H](CNC(=O)Cc1csc(CCC(F)(F)F)n1)N1CC[NH+](C)CC1 ZINC000631291512 653233788 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CC[NH+](CC)CC1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 ZINC000635448879 653517663 /nfs/dbraw/zinc/51/76/63/653517663.db2.gz YYBVRTSAENTVSM-UONOGXRCSA-N 1 0 384.464 1.790 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000636661698 653524416 /nfs/dbraw/zinc/52/44/16/653524416.db2.gz IKIIGGWHIIXSQD-JTQLQIEISA-N 1 0 399.289 1.068 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000637421686 653528019 /nfs/dbraw/zinc/52/80/19/653528019.db2.gz BAUBYEGXUJRCJO-CQSZACIVSA-N 1 0 378.217 1.593 20 0 GDADRO [NH3+][C@@H](C(=O)NCCCN1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000637969418 653533724 /nfs/dbraw/zinc/53/37/24/653533724.db2.gz ZTNFWOWUPVAQLI-CYBMUJFWSA-N 1 0 379.404 1.247 20 0 GDADRO Cc1cc(C[NH3+])oc1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000637969453 653533767 /nfs/dbraw/zinc/53/37/67/653533767.db2.gz HECNDLLGSJAANE-UHFFFAOYSA-N 1 0 380.242 1.969 20 0 GDADRO C[C@]1(C(=O)NCCCNC(=O)c2cccc(Br)c2)C[NH2+]CCO1 ZINC000637969526 653533793 /nfs/dbraw/zinc/53/37/93/653533793.db2.gz KYZFZIQPYOHJGT-MRXNPFEDSA-N 1 0 384.274 1.064 20 0 GDADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@]2(C)C[NH2+]CCO2)c(F)cc1F ZINC000637973870 653533971 /nfs/dbraw/zinc/53/39/71/653533971.db2.gz NXZKVAJAJOHSSH-HNNXBMFYSA-N 1 0 377.413 1.434 20 0 GDADRO C[C@@]1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C[NH2+]CCO1 ZINC000637974913 653534053 /nfs/dbraw/zinc/53/40/53/653534053.db2.gz BRBYSWYPEZNNHW-HNNXBMFYSA-N 1 0 380.246 1.229 20 0 GDADRO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000638291247 653537589 /nfs/dbraw/zinc/53/75/89/653537589.db2.gz NDRUXWFPMYPSPN-BLLLJJGKSA-N 1 0 382.507 1.700 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)CCC3C[NH2+]C3)C2=O)ccc1Br ZINC000638302484 653537722 /nfs/dbraw/zinc/53/77/22/653537722.db2.gz YNCZSZWQFMSJMM-HNNXBMFYSA-N 1 0 380.286 1.979 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)s1 ZINC000638330132 653538335 /nfs/dbraw/zinc/53/83/35/653538335.db2.gz QJNGLLGEAJPTEG-MRXNPFEDSA-N 1 0 381.523 1.559 20 0 GDADRO [NH3+]C1(CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCOCC1 ZINC000638536746 653539026 /nfs/dbraw/zinc/53/90/26/653539026.db2.gz DPWKCMKSMAATQW-LBPRGKRZSA-N 1 0 386.279 1.970 20 0 GDADRO [NH3+]C1(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCOCC1 ZINC000638541610 653539239 /nfs/dbraw/zinc/53/92/39/653539239.db2.gz SMXQAZOVCYRRNV-KGLIPLIRSA-N 1 0 384.274 1.546 20 0 GDADRO CS(=O)(=O)Nc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000638549797 653539584 /nfs/dbraw/zinc/53/95/84/653539584.db2.gz LVZKXCRHHPIFIJ-DGCLKSJQSA-N 1 0 379.404 1.657 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000638586633 653540708 /nfs/dbraw/zinc/54/07/08/653540708.db2.gz ANCLVJBDOYISRW-CYBMUJFWSA-N 1 0 398.301 1.496 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000638582118 653540727 /nfs/dbraw/zinc/54/07/27/653540727.db2.gz SHYSHCUYFBCKOM-OAHLLOKOSA-N 1 0 388.295 1.950 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596120 653541409 /nfs/dbraw/zinc/54/14/09/653541409.db2.gz LSBSFBIKHARZIT-KGLIPLIRSA-N 1 0 382.258 1.049 20 0 GDADRO [NH3+]CCCOCCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000638657613 653542404 /nfs/dbraw/zinc/54/24/04/653542404.db2.gz NRJIXWCASFQMQB-LBPRGKRZSA-N 1 0 384.274 1.284 20 0 GDADRO CO[C@H](C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)C1CCOCC1 ZINC000638771300 653543331 /nfs/dbraw/zinc/54/33/31/653543331.db2.gz CXGXRKRCDDCPQF-GFCCVEGCSA-N 1 0 382.935 1.711 20 0 GDADRO O=C(COc1ccc(Br)cn1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638793471 653543692 /nfs/dbraw/zinc/54/36/92/653543692.db2.gz YZYLCDOTMQDCNP-OAHLLOKOSA-N 1 0 398.301 1.840 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCc2ccccc2CC(F)(F)F)CC[NH2+]CC1 ZINC000638807338 653543922 /nfs/dbraw/zinc/54/39/22/653543922.db2.gz KIVBCIHLNOAKLU-UHFFFAOYSA-N 1 0 378.416 1.574 20 0 GDADRO [NH3+][C@H]1CCCCCN(C(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000638814854 653544005 /nfs/dbraw/zinc/54/40/05/653544005.db2.gz IVKFGKCAYDYBHA-LBPRGKRZSA-N 1 0 379.262 1.768 20 0 GDADRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCO1 ZINC000639241973 653548397 /nfs/dbraw/zinc/54/83/97/653548397.db2.gz KXEICHGRDLNLHX-GXTWGEPZSA-N 1 0 384.889 1.731 20 0 GDADRO CS(=O)(=O)CC1(CC[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000639304607 653549521 /nfs/dbraw/zinc/54/95/21/653549521.db2.gz XQJBLDDVGPSMAQ-UHFFFAOYSA-N 1 0 387.303 1.796 20 0 GDADRO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H](O)CN1CCOCC1 ZINC000639528229 653551457 /nfs/dbraw/zinc/55/14/57/653551457.db2.gz QIDDYENRBVVNHU-JKSUJKDBSA-N 1 0 393.311 1.358 20 0 GDADRO O=c1cc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)nc2sccn21 ZINC000639774711 653553445 /nfs/dbraw/zinc/55/34/45/653553445.db2.gz GNKUVYKRKPKTLW-OAHLLOKOSA-N 1 0 380.539 1.396 20 0 GDADRO COc1cc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)ncc1Br ZINC000639963514 653555591 /nfs/dbraw/zinc/55/55/91/653555591.db2.gz CLTLJBFJDINDRI-LLVKDONJSA-N 1 0 386.294 1.610 20 0 GDADRO COc1cc(CS(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)sn1 ZINC000641411077 653566783 /nfs/dbraw/zinc/56/67/83/653566783.db2.gz VYDHXBJUWKXHPV-UHFFFAOYSA-N 1 0 382.511 1.883 20 0 GDADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000641412836 653566896 /nfs/dbraw/zinc/56/68/96/653566896.db2.gz SWUFOWPMMUVOMX-UHFFFAOYSA-N 1 0 386.275 1.032 20 0 GDADRO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641500530 653569984 /nfs/dbraw/zinc/56/99/84/653569984.db2.gz IBKVASZXVIQBBB-SNVBAGLBSA-N 1 0 390.307 1.499 20 0 GDADRO Cc1ncc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)s1 ZINC000641600411 653572510 /nfs/dbraw/zinc/57/25/10/653572510.db2.gz MBGLNJFQSCRVKL-KBPBESRZSA-N 1 0 388.559 1.307 20 0 GDADRO Cc1cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)sn1 ZINC000641600249 653572515 /nfs/dbraw/zinc/57/25/15/653572515.db2.gz IENGHYOCBIIBFX-KBPBESRZSA-N 1 0 388.559 1.307 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000641650327 653574217 /nfs/dbraw/zinc/57/42/17/653574217.db2.gz NEGMGAXLJWERPX-UHFFFAOYSA-N 1 0 380.436 1.406 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)c1ncnc(C(F)(F)F)c1Br ZINC000641659516 653574775 /nfs/dbraw/zinc/57/47/75/653574775.db2.gz PSAXSIFMNWLWKG-UHFFFAOYSA-N 1 0 398.227 1.714 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cc(Br)c[nH]1 ZINC000641664846 653574952 /nfs/dbraw/zinc/57/49/52/653574952.db2.gz HODJWKOEQMVEPT-AWEZNQCLSA-N 1 0 385.306 1.304 20 0 GDADRO CC[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1nc(C(F)(F)F)cs1 ZINC000642355294 653578258 /nfs/dbraw/zinc/57/82/58/653578258.db2.gz ZPLNBIWDYRINET-UWVGGRQHSA-N 1 0 378.420 1.988 20 0 GDADRO O=C(NCc1cc(Cl)cc(Br)c1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642373599 653578383 /nfs/dbraw/zinc/57/83/83/653578383.db2.gz QWICJPWGILESME-CYBMUJFWSA-N 1 0 388.693 1.977 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccc(Br)cc1 ZINC000642537987 653578502 /nfs/dbraw/zinc/57/85/02/653578502.db2.gz PLMFOTKRVFOSIW-CORIIIEPSA-N 1 0 380.286 1.837 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)Oc1cccc(Br)c1 ZINC000642777858 653579218 /nfs/dbraw/zinc/57/92/18/653579218.db2.gz QMCZIMCJAPAMPH-TZMCWYRMSA-N 1 0 398.301 1.591 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643591544 653583544 /nfs/dbraw/zinc/58/35/44/653583544.db2.gz HWGXTEANEGGJSI-NEPJUHHUSA-N 1 0 386.315 1.822 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000643603444 653583720 /nfs/dbraw/zinc/58/37/20/653583720.db2.gz BOSNUVIQOIXGRQ-AWEZNQCLSA-N 1 0 386.901 1.531 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000643971038 653593319 /nfs/dbraw/zinc/59/33/19/653593319.db2.gz SZMFPJSICASBHK-CQSZACIVSA-N 1 0 386.539 1.551 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000643997880 653593914 /nfs/dbraw/zinc/59/39/14/653593914.db2.gz UVEPWFXTQLCJDT-LBPRGKRZSA-N 1 0 395.497 1.640 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644153528 653596036 /nfs/dbraw/zinc/59/60/36/653596036.db2.gz LNZCRMHLDWTVAT-MFKMUULPSA-N 1 0 375.778 1.945 20 0 GDADRO CS(=O)(=O)Cc1c2ccccc2oc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000644164584 653596116 /nfs/dbraw/zinc/59/61/16/653596116.db2.gz XHKUBYCGGAJJQY-LBPRGKRZSA-N 1 0 378.372 1.987 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000644536828 653599174 /nfs/dbraw/zinc/59/91/74/653599174.db2.gz FPOVWTBTSGQLAO-CQSZACIVSA-N 1 0 376.906 1.403 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000644537150 653599187 /nfs/dbraw/zinc/59/91/87/653599187.db2.gz NZSSPNAVGWASBD-ZDUSSCGKSA-N 1 0 397.324 1.748 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000644607471 653599590 /nfs/dbraw/zinc/59/95/90/653599590.db2.gz OUQPPIUJFJQOGX-UKRRQHHQSA-N 1 0 376.906 1.089 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644607245 653599591 /nfs/dbraw/zinc/59/95/91/653599591.db2.gz BBMSUQAMZOWOQG-VXGBXAGGSA-N 1 0 397.324 1.747 20 0 GDADRO CS(=O)(=O)NC1CC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000644640633 653599814 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COc1ncc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1Cl ZINC000645558139 653604021 /nfs/dbraw/zinc/60/40/21/653604021.db2.gz OIJOPHSIAOQREL-GFCCVEGCSA-N 1 0 377.894 1.259 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000645624150 653604951 /nfs/dbraw/zinc/60/49/51/653604951.db2.gz WZNUBRGQDRUSHX-SMDDNHRTSA-N 1 0 396.285 1.949 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(Br)c3F)[C@H]2C1 ZINC000645627584 653605043 /nfs/dbraw/zinc/60/50/43/653605043.db2.gz WMDMEBJATPSGIH-PELKAZGASA-N 1 0 388.212 1.828 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000645834686 653607271 /nfs/dbraw/zinc/60/72/71/653607271.db2.gz XCGYOSLBTZRSKZ-SNVBAGLBSA-N 1 0 380.297 1.734 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000645835198 653607298 /nfs/dbraw/zinc/60/72/98/653607298.db2.gz KNVOUTXDNQLKKC-NSHDSACASA-N 1 0 394.324 1.875 20 0 GDADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000645847840 653607487 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C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000646481497 653610415 /nfs/dbraw/zinc/61/04/15/653610415.db2.gz OBLBEUGTZNHTJK-YPMHNXCESA-N 1 0 396.285 1.726 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)C3CC[NH2+]CC3)C2=O)ccc1Br ZINC000646516858 653610579 /nfs/dbraw/zinc/61/05/79/653610579.db2.gz OHVDOPVPVKVQRC-HNNXBMFYSA-N 1 0 380.286 1.979 20 0 GDADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000646603476 653611451 /nfs/dbraw/zinc/61/14/51/653611451.db2.gz NCAFACMWAWRTGT-YPMHNXCESA-N 1 0 383.495 1.240 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000646670062 653612270 /nfs/dbraw/zinc/61/22/70/653612270.db2.gz YCJUOTJFHOPBSB-UWVGGRQHSA-N 1 0 380.242 1.241 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000646672091 653612279 /nfs/dbraw/zinc/61/22/79/653612279.db2.gz YBAXTCRSOVTTLK-JTQLQIEISA-N 1 0 375.288 1.582 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnc4ccc(Br)cc4c3=O)[C@@H]2C1 ZINC000646915857 653616609 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1.955 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000647323720 653626215 /nfs/dbraw/zinc/62/62/15/653626215.db2.gz MDEFFMDTKIPVFT-JTQLQIEISA-N 1 0 382.711 1.284 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1F ZINC000647335559 653626391 /nfs/dbraw/zinc/62/63/91/653626391.db2.gz PVECKWKAGOVTMT-WDEREUQCSA-N 1 0 381.495 1.382 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000647603269 653630010 /nfs/dbraw/zinc/63/00/10/653630010.db2.gz LJOWIKKHFZKNGG-CMPLNLGQSA-N 1 0 379.404 1.322 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000647775288 653633959 /nfs/dbraw/zinc/63/39/59/653633959.db2.gz IWHKSAWFPSSGIM-UHFFFAOYSA-N 1 0 392.301 1.612 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000647777597 653634297 /nfs/dbraw/zinc/63/42/97/653634297.db2.gz TXOZBNSGYDFVPS-UHFFFAOYSA-N 1 0 393.285 1.680 20 0 GDADRO CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000648004933 653637071 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O=C([C@H]1CC12CC[NH2+]CC2)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000648163248 653640088 /nfs/dbraw/zinc/64/00/88/653640088.db2.gz MJXVRLXHOPEYSZ-CABCVRRESA-N 1 0 392.297 1.838 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2=O)ccc1Br ZINC000648164067 653640362 /nfs/dbraw/zinc/64/03/62/653640362.db2.gz WDKUUGLTSOBEDZ-OSRDXIQISA-N 1 0 378.270 1.444 20 0 GDADRO CN1CC[C@H](C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)S1(=O)=O ZINC000648262968 653643091 /nfs/dbraw/zinc/64/30/91/653643091.db2.gz QMVNXQSDPRGHKL-MRXNPFEDSA-N 1 0 383.539 1.250 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000648803990 653656623 /nfs/dbraw/zinc/65/66/23/653656623.db2.gz OXCGHALFPQPRRD-UHFFFAOYSA-N 1 0 381.274 1.522 20 0 GDADRO C[C@@H](CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)n1cc(Br)cn1 ZINC000648871551 653658644 /nfs/dbraw/zinc/65/86/44/653658644.db2.gz SUQPLWOCWLAIRF-STQMWFEESA-N 1 0 387.322 1.900 20 0 GDADRO CCCN(C(=O)CCNS(=O)(=O)c1ccccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000649003880 653662251 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CC(C)n1cc(Br)cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650305817 653690856 /nfs/dbraw/zinc/69/08/56/653690856.db2.gz LECZKGYURKCBDH-UHFFFAOYSA-N 1 0 385.306 1.678 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)CNS(=O)(=O)c3c(Cl)cccc3Cl)[C@H]2C1 ZINC000650321726 653691637 /nfs/dbraw/zinc/69/16/37/653691637.db2.gz HGHMHKJTJGAOAK-MFKMUULPSA-N 1 0 392.308 1.434 20 0 GDADRO CC[N@H+](CCCNC(=O)NCC(C)(C)NS(C)(=O)=O)C1CCCCC1 ZINC000650863205 653700616 /nfs/dbraw/zinc/70/06/16/653700616.db2.gz ZSXFCAGEDYTDJT-UHFFFAOYSA-N 1 0 376.567 1.658 20 0 GDADRO NS(=O)(=O)CCCCCC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000651319702 653819397 /nfs/dbraw/zinc/81/93/97/653819397.db2.gz KWQNZRLCHCMOKD-UHFFFAOYSA-N 1 0 391.603 1.703 20 0 GDADRO CC(C)C[N@H+](C)CCCNc1ncc(Br)cc1S(N)(=O)=O ZINC000651363161 653821218 /nfs/dbraw/zinc/82/12/18/653821218.db2.gz PXHALRJMGJKKBC-UHFFFAOYSA-N 1 0 379.324 1.881 20 0 GDADRO [NH3+]CC1(CCNC(=O)NC[C@@H](O)COc2ccccc2Br)CC1 ZINC000652239242 653885414 /nfs/dbraw/zinc/88/54/14/653885414.db2.gz GCKWQDSRPYCAPW-GFCCVEGCSA-N 1 0 386.290 1.617 20 0 GDADRO CCO[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000652356965 653888379 /nfs/dbraw/zinc/88/83/79/653888379.db2.gz TTXDHHXOOSPSMN-IUODEOHRSA-N 1 0 391.331 1.518 20 0 GDADRO O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CC[NH2+]CC1 ZINC000652365480 653888479 /nfs/dbraw/zinc/88/84/79/653888479.db2.gz PYDLJPCYYZALNA-HNNXBMFYSA-N 1 0 385.917 1.314 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3cnn(CC(F)F)c3)C2)C1 ZINC000652374437 653889583 /nfs/dbraw/zinc/88/95/83/653889583.db2.gz RVYNUINLVYCXFX-BZPMIXESSA-N 1 0 378.445 1.055 20 0 GDADRO [NH3+]CC1(CCNC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC1 ZINC000652604172 653893906 /nfs/dbraw/zinc/89/39/06/653893906.db2.gz XFFJYUVZHPLIOW-UHFFFAOYSA-N 1 0 398.305 1.931 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)NCCC2CC[NH2+]CC2)c1 ZINC000652643304 653895266 /nfs/dbraw/zinc/89/52/66/653895266.db2.gz DRTUYQDCXVUITG-UHFFFAOYSA-N 1 0 384.274 1.902 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)CC1 ZINC000652674359 653896363 /nfs/dbraw/zinc/89/63/63/653896363.db2.gz URELFPIPBVPUQO-UHFFFAOYSA-N 1 0 388.693 1.964 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1=O ZINC000652734003 653897636 /nfs/dbraw/zinc/89/76/36/653897636.db2.gz XFPIRYJLSMURRX-UHFFFAOYSA-N 1 0 394.273 1.171 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000653043291 653904237 /nfs/dbraw/zinc/90/42/37/653904237.db2.gz MIDNWPJOBBVMPJ-CQSZACIVSA-N 1 0 382.302 1.727 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](N)CC[NH+](C)C)ccc1Cl ZINC000653058086 653904390 /nfs/dbraw/zinc/90/43/90/653904390.db2.gz DAFNCIQXLGWEER-AWEZNQCLSA-N 1 0 390.937 1.588 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[NH2+]CC3)CC2)c(C)s1 ZINC000653080892 653905700 /nfs/dbraw/zinc/90/57/00/653905700.db2.gz XWDJVUJLTKWQIG-HNNXBMFYSA-N 1 0 385.555 1.588 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653098094 653906190 /nfs/dbraw/zinc/90/61/90/653906190.db2.gz BGBXWVZDBNOHGG-QEJZJMRPSA-N 1 0 383.286 1.836 20 0 GDADRO C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)[C@H]1CC[NH3+] ZINC000653234989 653908889 /nfs/dbraw/zinc/90/88/89/653908889.db2.gz SNMPGSJQFLMBSM-BBRMVZONSA-N 1 0 387.933 1.984 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCC1CC[NH2+]CC1 ZINC000653268975 653909517 /nfs/dbraw/zinc/90/95/17/653909517.db2.gz ITQGHWCJBGWFCZ-UHFFFAOYSA-N 1 0 375.441 1.139 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)s1 ZINC000654360376 653934159 /nfs/dbraw/zinc/93/41/59/653934159.db2.gz IWCCUFOEIQPQEU-KGLIPLIRSA-N 1 0 386.543 1.472 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654404134 653935514 /nfs/dbraw/zinc/93/55/14/653935514.db2.gz RAXSGPBOKBJMHP-VBNZEHGJSA-N 1 0 382.302 1.841 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654489948 653938222 /nfs/dbraw/zinc/93/82/22/653938222.db2.gz SXQIKPNSDHPXPL-AEGPPILISA-N 1 0 382.302 1.841 20 0 GDADRO CO[C@@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1Br ZINC000654755648 653944301 /nfs/dbraw/zinc/94/43/01/653944301.db2.gz HEGHKXTVHCPHKU-CZUORRHYSA-N 1 0 384.318 1.889 20 0 GDADRO CO[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccccc1Br ZINC000654783986 653945836 /nfs/dbraw/zinc/94/58/36/653945836.db2.gz OBWFRYKOJYRBLF-XJKSGUPXSA-N 1 0 384.318 1.889 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1ccc(C(F)F)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000654869674 653949718 /nfs/dbraw/zinc/94/97/18/653949718.db2.gz NUQCFMYPSBDPOX-ZDUSSCGKSA-N 1 0 375.441 1.600 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000654887636 653950214 /nfs/dbraw/zinc/95/02/14/653950214.db2.gz ONDGPSXYNTVSHY-PHIMTYICSA-N 1 0 384.274 1.853 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654906853 653950881 /nfs/dbraw/zinc/95/08/81/653950881.db2.gz DZGCCMZXNKUPQR-UONOGXRCSA-N 1 0 396.285 1.282 20 0 GDADRO CCC(C)(C)[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000655274840 653962475 /nfs/dbraw/zinc/96/24/75/653962475.db2.gz YQAVSDPBACNLRE-UHFFFAOYSA-N 1 0 387.933 1.951 20 0 GDADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296868 653963772 /nfs/dbraw/zinc/96/37/72/653963772.db2.gz CMLIXHZTJYOGGR-NWDGAFQWSA-N 1 0 392.253 1.594 20 0 GDADRO O=C(c1nc2ccccc2cc1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294794 653963842 /nfs/dbraw/zinc/96/38/42/653963842.db2.gz HKWJITRICDXCHB-QWHCGFSZSA-N 1 0 376.254 1.888 20 0 GDADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299606 653963850 /nfs/dbraw/zinc/96/38/50/653963850.db2.gz UEJDZAPXGXHJPU-UONOGXRCSA-N 1 0 391.269 1.730 20 0 GDADRO [NH3+]C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)(F)F ZINC000655506046 653971756 /nfs/dbraw/zinc/97/17/56/653971756.db2.gz MWZKHKPGRAAJRZ-ZDUSSCGKSA-N 1 0 379.404 1.481 20 0 GDADRO CN(CC(=O)N[C@H](C[NH3+])C(F)(F)F)C(=O)c1ccc(Br)s1 ZINC000655508564 653972441 /nfs/dbraw/zinc/97/24/41/653972441.db2.gz BDXVOSXTTFWTEI-SSDOTTSWSA-N 1 0 388.209 1.588 20 0 GDADRO [NH3+]C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(F)(F)F ZINC000655508773 653972716 /nfs/dbraw/zinc/97/27/16/653972716.db2.gz GCSSEMMKMWIZTH-UWVGGRQHSA-N 1 0 385.433 1.297 20 0 GDADRO CC[C@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000655508725 653972744 /nfs/dbraw/zinc/97/27/44/653972744.db2.gz NSAHIYHQSUHEBN-MNOVXSKESA-N 1 0 376.770 1.950 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000655913096 653993472 /nfs/dbraw/zinc/99/34/72/653993472.db2.gz RRGVXRJWSZVBBI-GFCCVEGCSA-N 1 0 378.782 1.697 20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000655950032 653995648 /nfs/dbraw/zinc/99/56/48/653995648.db2.gz IFBQERRCMRIAHQ-CYBMUJFWSA-N 1 0 376.320 1.162 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc1Cl ZINC000655949302 653995663 /nfs/dbraw/zinc/99/56/63/653995663.db2.gz SOVJNYKUURWWBC-CQSZACIVSA-N 1 0 385.917 1.481 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)Cc2cccc(Br)c2C)CCC[NH2+]1 ZINC000655952174 653995934 /nfs/dbraw/zinc/99/59/34/653995934.db2.gz KDHADMKYGXOANV-HNNXBMFYSA-N 1 0 391.331 1.946 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ncc(Br)cn1 ZINC000655962362 653996650 /nfs/dbraw/zinc/99/66/50/653996650.db2.gz SGWNHLQBVSIMAS-FPMFFAJLSA-N 1 0 398.305 1.541 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000656021813 654000070 /nfs/dbraw/zinc/00/00/70/654000070.db2.gz LDYCVFQOFCAKGJ-SECBINFHSA-N 1 0 393.702 1.759 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1CCC(F)(F)CC1 ZINC000656298972 654013359 /nfs/dbraw/zinc/01/33/59/654013359.db2.gz LPJFSLAUYWZRMD-WBMJQRKESA-N 1 0 377.501 1.870 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C1CCC(F)(F)CC1 ZINC000656298971 654013394 /nfs/dbraw/zinc/01/33/94/654013394.db2.gz LPJFSLAUYWZRMD-MLGOLLRUSA-N 1 0 377.501 1.870 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000656338428 654015201 /nfs/dbraw/zinc/01/52/01/654015201.db2.gz IJXAHWLTGBAOKA-XBXGTLAGSA-N 1 0 382.302 1.830 20 0 GDADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000656362377 654015446 /nfs/dbraw/zinc/01/54/46/654015446.db2.gz LHCFLHVEFXGRQJ-ZWNOBZJWSA-N 1 0 375.288 1.561 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ncccc1Br)CN1CC[NH+](C)CC1 ZINC000656916410 654071464 /nfs/dbraw/zinc/07/14/64/654071464.db2.gz CCHNKPIRJHRMSM-GFCCVEGCSA-N 1 0 391.335 1.006 20 0 GDADRO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000656947245 654074997 /nfs/dbraw/zinc/07/49/97/654074997.db2.gz GDFOCKUWTQXJFS-ILXRZTDVSA-N 1 0 385.496 1.863 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(Br)cn1 ZINC000657090390 654107850 /nfs/dbraw/zinc/10/78/50/654107850.db2.gz DHRJHVKHDPZNNE-UHFFFAOYSA-N 1 0 379.324 1.006 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1F ZINC000657092935 654109365 /nfs/dbraw/zinc/10/93/65/654109365.db2.gz URNFCUZDGLQBIA-LBPRGKRZSA-N 1 0 395.522 1.596 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cncc1Br ZINC000657459484 654150050 /nfs/dbraw/zinc/15/00/50/654150050.db2.gz VUFWVABGKQWJSJ-RNCFNFMXSA-N 1 0 380.283 1.791 20 0 GDADRO CSc1ccc(Cl)c(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000657649924 654152836 /nfs/dbraw/zinc/15/28/36/654152836.db2.gz BXNKWEYTQPHCIU-UHFFFAOYSA-N 1 0 385.917 1.963 20 0 GDADRO COc1ncc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c(C)c1Br ZINC000657655984 654153299 /nfs/dbraw/zinc/15/32/99/654153299.db2.gz FYTXPOFNSJJPPH-JTQLQIEISA-N 1 0 385.262 1.168 20 0 GDADRO COc1ncc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1Br ZINC000657665363 654154781 /nfs/dbraw/zinc/15/47/81/654154781.db2.gz OFPWAERDRHMKDA-JTQLQIEISA-N 1 0 397.273 1.453 20 0 GDADRO C[NH+]1CCN(c2cccc(Cl)c2CNCc2nc(C(N)=O)cs2)CC1 ZINC000657686210 654156286 /nfs/dbraw/zinc/15/62/86/654156286.db2.gz MAYAPXLYHHSADP-UHFFFAOYSA-N 1 0 379.917 1.937 20 0 GDADRO COCC[NH2+]CCNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000658377386 654186698 /nfs/dbraw/zinc/18/66/98/654186698.db2.gz RQWGRNWTMNKWLP-UHFFFAOYSA-N 1 0 376.784 1.753 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)CCc3ccccc3Cl)C2)nn1 ZINC000658382468 654187949 /nfs/dbraw/zinc/18/79/49/654187949.db2.gz LNJJYHNUUJKLCR-OAHLLOKOSA-N 1 0 383.905 1.600 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387280 654188512 /nfs/dbraw/zinc/18/85/12/654188512.db2.gz NQXTUQRCFIQIOF-OAHLLOKOSA-N 1 0 386.539 1.490 20 0 GDADRO Nc1ncc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000658392975 654189385 /nfs/dbraw/zinc/18/93/85/654189385.db2.gz WTUHCFIKNFUMNL-ZIAGYGMSSA-N 1 0 384.864 1.880 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000658943087 654213443 /nfs/dbraw/zinc/21/34/43/654213443.db2.gz DSUOZTROYINYOV-KKUMJFAQSA-N 1 0 385.555 1.796 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(Br)ccc3-n3cnnn3)C[C@H]21 ZINC000659303409 654221520 /nfs/dbraw/zinc/22/15/20/654221520.db2.gz GXZHXWCXGGANBM-ZLKJLUDKSA-N 1 0 391.273 1.624 20 0 GDADRO CC1(C)CCC[NH2+][C@H]1C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659335109 654223242 /nfs/dbraw/zinc/22/32/42/654223242.db2.gz IZQCPJMACBLJKZ-ZDUSSCGKSA-N 1 0 383.290 1.468 20 0 GDADRO CS(=O)(=O)C1(C(=O)Nc2nnc(/C=C\c3ccco3)s2)CC[NH2+]CC1 ZINC000659379459 654224543 /nfs/dbraw/zinc/22/45/43/654224543.db2.gz HXVOWKWINOZHNH-PLNGDYQASA-N 1 0 382.467 1.407 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC[C@H]1F ZINC000659388826 654224559 /nfs/dbraw/zinc/22/45/59/654224559.db2.gz FFMBAFDTXVOQEE-JHJVBQTASA-N 1 0 375.491 1.189 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)s1 ZINC000659389989 654225252 /nfs/dbraw/zinc/22/52/52/654225252.db2.gz DBAMSBOVRAJGMW-BFHYXJOUSA-N 1 0 389.518 1.355 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCc2cccc(Br)c2)n1 ZINC000659502760 654227265 /nfs/dbraw/zinc/22/72/65/654227265.db2.gz JBYWDMGZYOZIPV-UHFFFAOYSA-N 1 0 380.246 1.445 20 0 GDADRO [NH3+]C1(CNC(=O)NC[C@H](O)COc2ccccc2Br)CCCC1 ZINC000659574697 654229197 /nfs/dbraw/zinc/22/91/97/654229197.db2.gz XRQMZSBRAMBYJU-LBPRGKRZSA-N 1 0 386.290 1.760 20 0 GDADRO [NH3+]C1(CNC(=O)NCCNC(=O)c2ccc(Br)cn2)CCCC1 ZINC000659576061 654229236 /nfs/dbraw/zinc/22/92/36/654229236.db2.gz ZKSSLUBQGJFANC-UHFFFAOYSA-N 1 0 384.278 1.145 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659555410 654229437 /nfs/dbraw/zinc/22/94/37/654229437.db2.gz QGTRWONLWDBAOR-CABCVRRESA-N 1 0 384.274 1.520 20 0 GDADRO COc1ncc(Br)cc1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000660002085 654236236 /nfs/dbraw/zinc/23/62/36/654236236.db2.gz CXIIHWPVPPAPKG-UHFFFAOYSA-N 1 0 392.319 1.709 20 0 GDADRO C[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)C1CCN(S(C)(=O)=O)CC1 ZINC000660002338 654236861 /nfs/dbraw/zinc/23/68/61/654236861.db2.gz GWUQHLRRYPXREG-INIZCTEOSA-N 1 0 383.539 1.845 20 0 GDADRO CN1CC(=O)N(CC[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1=O ZINC000660460880 654250345 /nfs/dbraw/zinc/25/03/45/654250345.db2.gz JQFNEWGOJOWJRM-LBPRGKRZSA-N 1 0 379.766 1.876 20 0 GDADRO CSc1nnc(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000661051287 654261913 /nfs/dbraw/zinc/26/19/13/654261913.db2.gz 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CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C1CC1 ZINC000663362955 654334915 /nfs/dbraw/zinc/33/49/15/654334915.db2.gz GFDOTURCXKKTOC-KRWDZBQOSA-N 1 0 388.555 1.735 20 0 GDADRO C[C@@H](CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[NH+](C)C ZINC000663565976 654343528 /nfs/dbraw/zinc/34/35/28/654343528.db2.gz BAVICFKJSNTXKO-LBPRGKRZSA-N 1 0 376.910 1.258 20 0 GDADRO C[C@@H]1CN(c2nnc3ccc(Br)cn32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000663755921 654351750 /nfs/dbraw/zinc/35/17/50/654351750.db2.gz KLTFLGWANWJIJC-UKRRQHHQSA-N 1 0 393.333 1.954 20 0 GDADRO C[C@H]1CN(c2nnc3ccc(Br)cn32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000663755916 654351849 /nfs/dbraw/zinc/35/18/49/654351849.db2.gz KLTFLGWANWJIJC-DZGCQCFKSA-N 1 0 393.333 1.954 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)CCO1 ZINC000664478536 654381458 /nfs/dbraw/zinc/38/14/58/654381458.db2.gz GWJGONPZOOEXNX-CYBMUJFWSA-N 1 0 396.289 1.675 20 0 GDADRO NS(=O)(=O)c1ccc(CN[C@@H]2CC[N@H+](CC3CC3)C2)cc1Br ZINC000666267382 654421603 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GDADRO O=C(C[NH2+][C@H](CCO)C1CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000771801514 654548666 /nfs/dbraw/zinc/54/86/66/654548666.db2.gz SKMRTCMAMKTNDU-GOEBONIOSA-N 1 0 386.539 1.014 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000672013781 654549212 /nfs/dbraw/zinc/54/92/12/654549212.db2.gz GTCJGIQWAUETED-VXGBXAGGSA-N 1 0 397.317 1.868 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672309406 654555576 /nfs/dbraw/zinc/55/55/76/654555576.db2.gz MUSASXLYTWTIMU-LBPRGKRZSA-N 1 0 384.274 1.601 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cn1 ZINC000672310696 654555894 /nfs/dbraw/zinc/55/58/94/654555894.db2.gz DIKLGYZJEMPNSU-FZMZJTMJSA-N 1 0 395.301 1.622 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000673521874 654576239 /nfs/dbraw/zinc/57/62/39/654576239.db2.gz OAVMEUKJPMPKMG-SWLSCSKDSA-N 1 0 388.295 1.637 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cnc3c(Br)cccn23)CC1=O ZINC000673528410 654576532 /nfs/dbraw/zinc/57/65/32/654576532.db2.gz AOKIHAVWPHNDAG-NSHDSACASA-N 1 0 394.273 1.445 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)c1cn[nH]c1 ZINC000773104564 654581787 /nfs/dbraw/zinc/58/17/87/654581787.db2.gz DZDBGXXGYTUHSP-RYUDHWBXSA-N 1 0 386.499 1.547 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773152669 654583593 /nfs/dbraw/zinc/58/35/93/654583593.db2.gz RXDAYJBHGCDGNO-VNHYZAJKSA-N 1 0 390.527 1.630 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NC2CC([NH+](C)C)C2)ccc1Cl ZINC000773489381 654593940 /nfs/dbraw/zinc/59/39/40/654593940.db2.gz WCAFFSTXSQDTRL-UHFFFAOYSA-N 1 0 375.878 1.344 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000774184525 654615167 /nfs/dbraw/zinc/61/51/67/654615167.db2.gz CIOSRWSUQICERQ-FORDYWAESA-N 1 0 379.404 1.709 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000774226957 654617640 /nfs/dbraw/zinc/61/76/40/654617640.db2.gz NOCPJRQFJCPLEB-GFCCVEGCSA-N 1 0 381.274 1.692 20 0 GDADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCN(C)S(C)(=O)=O ZINC000675747024 654623869 /nfs/dbraw/zinc/62/38/69/654623869.db2.gz SPVSHENSOSTUPX-AWEZNQCLSA-N 1 0 389.949 1.948 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000775152201 654655550 /nfs/dbraw/zinc/65/55/50/654655550.db2.gz NBORNSMYJDIHSD-NSHDSACASA-N 1 0 387.267 1.049 20 0 GDADRO NC(=O)C[C@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000676871404 654655627 /nfs/dbraw/zinc/65/56/27/654655627.db2.gz ZPLHGTTXKNOJRW-MFKMUULPSA-N 1 0 375.238 1.525 20 0 GDADRO C[NH+]1CCC(NC(=S)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000739455820 654661984 /nfs/dbraw/zinc/66/19/84/654661984.db2.gz IMOBMTMOWLZVEX-AWEZNQCLSA-N 1 0 385.917 1.703 20 0 GDADRO COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000775337423 654665635 /nfs/dbraw/zinc/66/56/35/654665635.db2.gz FLOKPCUUANKUOA-AWEZNQCLSA-N 1 0 392.543 1.039 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cccs1 ZINC000775417866 654666229 /nfs/dbraw/zinc/66/62/29/654666229.db2.gz XWOYTMXIQGFTIC-NRWUCQMLSA-N 1 0 379.594 1.852 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)C2CCOCC2)[C@H](C)C1 ZINC000739962231 654666313 /nfs/dbraw/zinc/66/63/13/654666313.db2.gz GFEHVDQRXOZBDP-NVXWUHKLSA-N 1 0 377.551 1.069 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=S)NCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000740627685 654671085 /nfs/dbraw/zinc/67/10/85/654671085.db2.gz APRBMHMOOOVXMW-ZFWWWQNUSA-N 1 0 384.571 1.513 20 0 GDADRO O=c1oc2cc(Br)ccc2n1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742160964 654695632 /nfs/dbraw/zinc/69/56/32/654695632.db2.gz BGVYOOVVDHPIFT-CYBMUJFWSA-N 1 0 396.285 1.969 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000742283715 654699931 /nfs/dbraw/zinc/69/99/31/654699931.db2.gz ODJZDCKMXOWBKZ-OAHLLOKOSA-N 1 0 375.535 1.647 20 0 GDADRO CCc1nsc(N2CCCN(C(=S)NC[C@H]3CCC[N@H+]3CC)CC2)n1 ZINC000743066188 654713393 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375.878 1.532 20 0 GDADRO C[C@H]1C[C@H](NC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000828681732 654877709 /nfs/dbraw/zinc/87/77/09/654877709.db2.gz ZERATCJDSLFULW-GXSJLCMTSA-N 1 0 390.303 1.309 20 0 GDADRO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000800309038 654881946 /nfs/dbraw/zinc/88/19/46/654881946.db2.gz BURYZNYFBDVNRP-GDBMZVCRSA-N 1 0 375.535 1.551 20 0 GDADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCCNC1=O ZINC000784340783 654883371 /nfs/dbraw/zinc/88/33/71/654883371.db2.gz FJZLFHIYXBGNTM-HIFRSBDPSA-N 1 0 389.265 1.928 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cn(C)nc2Br)CC1=O ZINC000829110823 654890936 /nfs/dbraw/zinc/89/09/36/654890936.db2.gz GAEREMJXAFXVAZ-NWDGAFQWSA-N 1 0 398.305 1.454 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000829300406 654896211 /nfs/dbraw/zinc/89/62/11/654896211.db2.gz QANMDXAXWHQPOQ-UHFFFAOYSA-N 1 0 380.388 1.167 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000728962421 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C[NH+](C)CCCNC(=S)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000786089238 654932763 /nfs/dbraw/zinc/93/27/63/654932763.db2.gz OIBHWLWYRHJFAZ-UHFFFAOYSA-N 1 0 396.508 1.895 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000801941167 654936237 /nfs/dbraw/zinc/93/62/37/654936237.db2.gz WHIFMNHMELALNM-LSDHHAIUSA-N 1 0 375.535 1.777 20 0 GDADRO Cn1cc(Br)c(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1=O ZINC000830210874 654936785 /nfs/dbraw/zinc/93/67/85/654936785.db2.gz VJCKYQPLHFYBID-OAHLLOKOSA-N 1 0 393.285 1.966 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000753170056 654944329 /nfs/dbraw/zinc/94/43/29/654944329.db2.gz ACMDEFKFPNLEGA-HUUCEWRRSA-N 1 0 377.551 1.941 20 0 GDADRO C[C@@H]1C[C@@H](NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C[N@@H+]1C1CC1 ZINC000753965987 654961805 /nfs/dbraw/zinc/96/18/05/654961805.db2.gz VGBKXGHYWOFDEH-TZMCWYRMSA-N 1 0 382.555 1.849 20 0 GDADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787890988 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CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000788446981 654994209 /nfs/dbraw/zinc/99/42/09/654994209.db2.gz ODZSFLLNVFTTFO-WMLDXEAASA-N 1 0 375.535 1.505 20 0 GDADRO O=C(NCc1ccc(Br)cc1F)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788567664 654998469 /nfs/dbraw/zinc/99/84/69/654998469.db2.gz ALDBDXRHJZOJPS-UONOGXRCSA-N 1 0 398.276 1.947 20 0 GDADRO C[NH+]1CCC(CCNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000804977880 655006605 /nfs/dbraw/zinc/00/66/05/655006605.db2.gz BKGUOORGVYJZCO-UHFFFAOYSA-N 1 0 396.481 1.693 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000788912137 655007803 /nfs/dbraw/zinc/00/78/03/655007803.db2.gz HIIOJISDVBOZRQ-RYUDHWBXSA-N 1 0 389.905 1.920 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)/C=C\c2ccccc2Br)CC1 ZINC000788920132 655008299 /nfs/dbraw/zinc/00/82/99/655008299.db2.gz NXDKMKHBCIXFAS-MLPAPPSSSA-N 1 0 388.331 1.587 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000788917288 655008305 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ZINC000768040865 655312840 /nfs/dbraw/zinc/31/28/40/655312840.db2.gz HOVJREJXRQYIMV-MRVPVSSYSA-N 1 0 375.654 1.646 20 0 GDADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000841198455 655313638 /nfs/dbraw/zinc/31/36/38/655313638.db2.gz UJLFMUNGZLREAY-LBPRGKRZSA-N 1 0 381.274 1.773 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000841233715 655316085 /nfs/dbraw/zinc/31/60/85/655316085.db2.gz FHFQPHVSLVYQRB-ZDUSSCGKSA-N 1 0 375.654 1.633 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cnc1Br ZINC000841234296 655316141 /nfs/dbraw/zinc/31/61/41/655316141.db2.gz HKTOQQILLJXWLG-MRXNPFEDSA-N 1 0 381.274 1.693 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841235001 655316269 /nfs/dbraw/zinc/31/62/69/655316269.db2.gz NRWDWNLFPCFVRW-MRXNPFEDSA-N 1 0 381.274 1.693 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241691 655316679 /nfs/dbraw/zinc/31/66/79/655316679.db2.gz RZPOAMCWQCUHSO-MRVPVSSYSA-N 1 0 383.168 1.973 20 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20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000841546859 655343258 /nfs/dbraw/zinc/34/32/58/655343258.db2.gz ZJEPRABFEZWLOJ-ZDUSSCGKSA-N 1 0 389.543 1.657 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000817146185 655345331 /nfs/dbraw/zinc/34/53/31/655345331.db2.gz GJBQIWXXNXVNLG-UHFFFAOYSA-N 1 0 375.878 1.673 20 0 GDADRO CC(C)(C[NH3+])NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000841865848 655354328 /nfs/dbraw/zinc/35/43/28/655354328.db2.gz HPBXZJVBHWWAJM-UHFFFAOYSA-N 1 0 383.392 1.395 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000842012543 655355081 /nfs/dbraw/zinc/35/50/81/655355081.db2.gz XYAPDRIYEIIQQK-SWLSCSKDSA-N 1 0 384.274 1.520 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000842022417 655355530 /nfs/dbraw/zinc/35/55/30/655355530.db2.gz ZGBLSGXMMFKCRW-GXTWGEPZSA-N 1 0 384.933 1.813 20 0 GDADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000842184678 655357986 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20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000842486478 655368247 /nfs/dbraw/zinc/36/82/47/655368247.db2.gz ZUJDNTANKNZWPM-NEPJUHHUSA-N 1 0 375.516 1.252 20 0 GDADRO C[C@H]1CCN(C(=O)c2cccn3c(I)cnc23)C[C@H]1C[NH3+] ZINC000842508503 655368423 /nfs/dbraw/zinc/36/84/23/655368423.db2.gz AFPVDJCSVZLNEP-WDEREUQCSA-N 1 0 398.248 1.996 20 0 GDADRO CN(C(=O)c1cccn2c(I)cnc12)[C@H](C[NH3+])C1CC1 ZINC000842510096 655368576 /nfs/dbraw/zinc/36/85/76/655368576.db2.gz LKTBQOYDSVKBDE-LLVKDONJSA-N 1 0 384.221 1.748 20 0 GDADRO O=S(=O)(c1c[nH]c(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1)N1CCSCC1 ZINC000842666686 655370581 /nfs/dbraw/zinc/37/05/81/655370581.db2.gz FEEYGAICCIHNSM-LLVKDONJSA-N 1 0 383.499 1.269 20 0 GDADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000842695840 655371533 /nfs/dbraw/zinc/37/15/33/655371533.db2.gz BLVGQTOTUMHFCE-JTQLQIEISA-N 1 0 386.417 1.340 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)ccc1Br ZINC000842703917 655372212 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O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1)[C@H]1CCC[NH2+]1 ZINC000842750263 655375228 /nfs/dbraw/zinc/37/52/28/655375228.db2.gz YOTPTHHPGSZVME-TZMCWYRMSA-N 1 0 386.905 1.004 20 0 GDADRO COC[C@]1(CNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCC[NH2+]1 ZINC000818589572 655376766 /nfs/dbraw/zinc/37/67/66/655376766.db2.gz FLKAZHLDCSOSFD-CQSZACIVSA-N 1 0 380.388 1.479 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000842787122 655376883 /nfs/dbraw/zinc/37/68/83/655376883.db2.gz IPCLVMMBBHRESJ-NXEZZACHSA-N 1 0 391.287 1.594 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)C[NH3+])c(Br)cc1F ZINC000842786534 655376892 /nfs/dbraw/zinc/37/68/92/655376892.db2.gz BHJYXRVNZMHSKI-ZETCQYMHSA-N 1 0 383.239 1.248 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000842797421 655377865 /nfs/dbraw/zinc/37/78/65/655377865.db2.gz IDDZIYNUSSSRTR-GWCFXTLKSA-N 1 0 380.919 1.491 20 0 GDADRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842804256 655378298 /nfs/dbraw/zinc/37/82/98/655378298.db2.gz MOCMENXZZWPNQW-IAQYHMDHSA-N 1 0 396.481 1.869 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000842821200 655379418 /nfs/dbraw/zinc/37/94/18/655379418.db2.gz FFMFCLKUIYOTPH-OCAPTIKFSA-N 1 0 395.300 1.137 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N(C)CC[NH2+]C)c1 ZINC000842824768 655379747 /nfs/dbraw/zinc/37/97/47/655379747.db2.gz HIFUUWQODAVQJJ-UHFFFAOYSA-N 1 0 397.950 1.210 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c(Br)o1 ZINC000842831221 655380192 /nfs/dbraw/zinc/38/01/92/655380192.db2.gz RFFPIPILJMDNRB-MRVPVSSYSA-N 1 0 381.248 1.249 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)ccc1Br ZINC000842836790 655380603 /nfs/dbraw/zinc/38/06/03/655380603.db2.gz HAUMEGHBOZEABU-NXEZZACHSA-N 1 0 391.287 1.607 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000842846689 655380700 /nfs/dbraw/zinc/38/07/00/655380700.db2.gz PBXVTTADFFDSLB-AWEZNQCLSA-N 1 0 391.287 1.595 20 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/nfs/dbraw/zinc/38/31/83/655383183.db2.gz ZMHZOKLVNWYZEH-OLZOCXBDSA-N 1 0 380.297 1.905 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]CCS(C)(=O)=O)c1 ZINC000819042844 655383705 /nfs/dbraw/zinc/38/37/05/655383705.db2.gz MVBIXFMSNCLIFF-UHFFFAOYSA-N 1 0 393.303 1.212 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c(F)cc1Br ZINC000842913487 655383930 /nfs/dbraw/zinc/38/39/30/655383930.db2.gz HSOPXMMOXJCDFT-YUMQZZPRSA-N 1 0 397.266 1.779 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1c(F)cccc1F)NC[C@H]1CCCCO1 ZINC000819054353 655384289 /nfs/dbraw/zinc/38/42/89/655384289.db2.gz NLFDNXOQOASPPY-IUODEOHRSA-N 1 0 378.441 1.076 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000819056140 655384310 /nfs/dbraw/zinc/38/43/10/655384310.db2.gz ZWVFBPJWAPBDJS-LSDHHAIUSA-N 1 0 376.519 1.161 20 0 GDADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)CCO2 ZINC000819209687 655388183 /nfs/dbraw/zinc/38/81/83/655388183.db2.gz JQEFMNQVFDXLRL-RCBQFDQVSA-N 1 0 377.865 1.838 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C[C@@H](O)c1cc(F)ccc1F)c1cccs1 ZINC000843100743 655388492 /nfs/dbraw/zinc/38/84/92/655388492.db2.gz YFSIAVNIIXTDIS-SMDDNHRTSA-N 1 0 377.434 1.484 20 0 GDADRO C[C@@](O)(C[NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(Br)cc1Cl ZINC000843115050 655388755 /nfs/dbraw/zinc/38/87/55/655388755.db2.gz GDYLSLFBPQHHAK-BXUZGUMPSA-N 1 0 389.681 1.552 20 0 GDADRO CCS(=O)(=O)CC[NH2+]CCOc1ccc(I)cc1 ZINC000819291759 655389322 /nfs/dbraw/zinc/38/93/22/655389322.db2.gz ODUAMPUKJCRHEB-UHFFFAOYSA-N 1 0 383.251 1.694 20 0 GDADRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CCNS(=O)(=O)c1cccs1 ZINC000843342391 655393061 /nfs/dbraw/zinc/39/30/61/655393061.db2.gz MKPVIRXAJLFWSK-UHFFFAOYSA-N 1 0 379.507 1.855 20 0 GDADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843347883 655393377 /nfs/dbraw/zinc/39/33/77/655393377.db2.gz XOXCXZRPYWKENP-LRDDRELGSA-N 1 0 390.937 1.672 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000843365745 655393710 /nfs/dbraw/zinc/39/37/10/655393710.db2.gz PTARQAKRWWNMEI-LBPRGKRZSA-N 1 0 375.441 1.695 20 0 GDADRO COC(=O)C[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000843387560 655394095 /nfs/dbraw/zinc/39/40/95/655394095.db2.gz SCRWIZYTRAFOAR-CABCVRRESA-N 1 0 399.285 1.938 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843412995 655394647 /nfs/dbraw/zinc/39/46/47/655394647.db2.gz CVIUXGFTBSHEMC-CYBMUJFWSA-N 1 0 384.274 1.581 20 0 GDADRO Cc1cc([C@@H]([NH3+])CC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)cc(Cl)n1 ZINC000843448604 655395068 /nfs/dbraw/zinc/39/50/68/655395068.db2.gz BOQUKGOETPKZSQ-AWEZNQCLSA-N 1 0 388.921 1.316 20 0 GDADRO CC[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC[C@@H]1[NH3+] ZINC000843471088 655395865 /nfs/dbraw/zinc/39/58/65/655395865.db2.gz MMHKHCPDGWOUAM-FZMZJTMJSA-N 1 0 389.905 1.721 20 0 GDADRO CN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)C1(C[NH3+])CCC1 ZINC000843486180 655396757 /nfs/dbraw/zinc/39/67/57/655396757.db2.gz YRNHLQTXSULEKM-UHFFFAOYSA-N 1 0 380.495 1.252 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000843779978 655400526 /nfs/dbraw/zinc/40/05/26/655400526.db2.gz VANQDORRTICHRP-STQMWFEESA-N 1 0 393.285 1.929 20 0 GDADRO CCCN(C(=O)c1cnn(C)c1I)[C@@H]1CC[N@H+](C)C1 ZINC000843986854 655404298 /nfs/dbraw/zinc/40/42/98/655404298.db2.gz CJZSBFWKJIFHQK-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000844344232 655409721 /nfs/dbraw/zinc/40/97/21/655409721.db2.gz VQPVPFJELCOMLU-SUMWQHHRSA-N 1 0 376.519 1.442 20 0 GDADRO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844397631 655410022 /nfs/dbraw/zinc/41/00/22/655410022.db2.gz NPNITHMWRYGEFK-HUUCEWRRSA-N 1 0 377.551 1.941 20 0 GDADRO C[C@@H](NS(=O)(=O)N=S(C)(C)=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000820790738 655416725 /nfs/dbraw/zinc/41/67/25/655416725.db2.gz URXBUTGKYPXEOF-GFCCVEGCSA-N 1 0 392.522 1.201 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000820830824 655417787 /nfs/dbraw/zinc/41/77/87/655417787.db2.gz ZAALIOJYSWYTOJ-ILXRZTDVSA-N 1 0 375.535 1.646 20 0 GDADRO CSc1ccc([C@H](CNC(=O)C[C@]2(C)CCS(=O)(=O)N2)[NH+](C)C)cc1 ZINC000820835052 655418002 /nfs/dbraw/zinc/41/80/02/655418002.db2.gz KULUFUZRAXKMSQ-RDJZCZTQSA-N 1 0 385.555 1.599 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2csc(Br)n2)CC1 ZINC000821018445 655421027 /nfs/dbraw/zinc/42/10/27/655421027.db2.gz BCEKZYSWENLXEV-NSHDSACASA-N 1 0 387.303 1.284 20 0 GDADRO Cn1c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc2cc(Br)cnc21 ZINC000821052961 655421524 /nfs/dbraw/zinc/42/15/24/655421524.db2.gz RMGDIHDAHBVQSK-CQSZACIVSA-N 1 0 395.301 1.912 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(N)nc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000821436190 655430116 /nfs/dbraw/zinc/43/01/16/655430116.db2.gz KXFZEQWAUYNGBN-TZMCWYRMSA-N 1 0 396.333 1.524 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000845668270 655433963 /nfs/dbraw/zinc/43/39/63/655433963.db2.gz NVVRULSTPNCWOU-AWEZNQCLSA-N 1 0 391.343 1.910 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000845670668 655434099 /nfs/dbraw/zinc/43/40/99/655434099.db2.gz DTNXTTKNYNNORW-UONOGXRCSA-N 1 0 391.343 1.908 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CSCCS1 ZINC000845738202 655434872 /nfs/dbraw/zinc/43/48/72/655434872.db2.gz QOWQZOPJTDTSFL-CHWSQXEVSA-N 1 0 377.576 1.796 20 0 GDADRO CC(C)(C)OC(=O)NCCC1CC([NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000845939533 655439544 /nfs/dbraw/zinc/43/95/44/655439544.db2.gz POEWYKLWPKRDRG-UHFFFAOYSA-N 1 0 376.519 1.209 20 0 GDADRO CN(C(=O)C[C@]1(C)CCS(=O)(=O)N1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000822152534 655440890 /nfs/dbraw/zinc/44/08/90/655440890.db2.gz TXQOEKJHJSZSGH-AWEZNQCLSA-N 1 0 385.452 1.334 20 0 GDADRO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)CCN1C(=O)OC(C)(C)C ZINC000846031517 655445619 /nfs/dbraw/zinc/44/56/19/655445619.db2.gz MSTTZKLAHRAMRI-ILXRZTDVSA-N 1 0 375.535 1.646 20 0 GDADRO CC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000846191090 655449545 /nfs/dbraw/zinc/44/95/45/655449545.db2.gz WDGYODVNTGEPLC-ILXRZTDVSA-N 1 0 375.535 1.788 20 0 GDADRO COCC[NH2+]C1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000846230528 655450141 /nfs/dbraw/zinc/45/01/41/655450141.db2.gz SQMXCXASIWPUOH-UHFFFAOYSA-N 1 0 388.358 1.771 20 0 GDADRO COc1cc(Br)c(Cc2noc(C[C@@H](C[NH3+])OC)n2)cc1OC ZINC000822910674 655453467 /nfs/dbraw/zinc/45/34/67/655453467.db2.gz QEFIZDPIMMMBBF-JTQLQIEISA-N 1 0 386.246 1.956 20 0 GDADRO Brc1cc(Cc2noc(C[C@H]3COCC[NH2+]3)n2)cc2c1OCCO2 ZINC000822947573 655454232 /nfs/dbraw/zinc/45/42/32/655454232.db2.gz VESQJMZXTYRONH-NSHDSACASA-N 1 0 396.241 1.725 20 0 GDADRO COC[C@]1(c2nc(CC(=O)Nc3ccccc3Br)no2)CC[NH2+]C1 ZINC000823074582 655456146 /nfs/dbraw/zinc/45/61/46/655456146.db2.gz DTBGEYXXEXJMFL-INIZCTEOSA-N 1 0 395.257 1.891 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)C1 ZINC000846720396 655459561 /nfs/dbraw/zinc/45/95/61/655459561.db2.gz BTIAUZBFMVZHLM-KBRIMQKVSA-N 1 0 377.888 1.280 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000823447216 655463255 /nfs/dbraw/zinc/46/32/55/655463255.db2.gz DPFCISCLXNRODI-CQSZACIVSA-N 1 0 377.551 1.797 20 0 GDADRO CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000823453586 655463341 /nfs/dbraw/zinc/46/33/41/655463341.db2.gz TUWQVBHWAINNKD-GJZGRUSLSA-N 1 0 377.551 1.797 20 0 GDADRO COc1cc(Br)cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC000823562299 655464894 /nfs/dbraw/zinc/46/48/94/655464894.db2.gz SISYRFAPONZVHM-LLVKDONJSA-N 1 0 384.274 1.650 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823742494 655467523 /nfs/dbraw/zinc/46/75/23/655467523.db2.gz OYWYTWVOTKCGJV-GJZGRUSLSA-N 1 0 377.551 1.941 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1nc(Cl)sc1Cl ZINC000847501770 655470548 /nfs/dbraw/zinc/47/05/48/655470548.db2.gz ZKJCYXAHVVHERK-SNVBAGLBSA-N 1 0 379.313 1.586 20 0 GDADRO CON(C)C(=O)[C@H](CCSC)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000847587333 655472585 /nfs/dbraw/zinc/47/25/85/655472585.db2.gz ZTYQRGBARUZIDW-CABCVRRESA-N 1 0 389.587 1.462 20 0 GDADRO C[C@H]1C[C@@H](C[NH+]2CCC(S(N)(=O)=O)CC2)CCN1C(=O)OC(C)(C)C ZINC000824241800 655472913 /nfs/dbraw/zinc/47/29/13/655472913.db2.gz BDVXSAAOXLVOFE-KBPBESRZSA-N 1 0 375.535 1.775 20 0 GDADRO C[C@H]1C[C@H](C[NH+]2CCC(S(N)(=O)=O)CC2)CCN1C(=O)OC(C)(C)C ZINC000824241802 655472970 /nfs/dbraw/zinc/47/29/70/655472970.db2.gz BDVXSAAOXLVOFE-UONOGXRCSA-N 1 0 375.535 1.775 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000824668321 655478859 /nfs/dbraw/zinc/47/88/59/655478859.db2.gz NWGXOGZQFJIZJY-WCQYABFASA-N 1 0 381.274 1.644 20 0 GDADRO CC(C)(C)n1cc(Br)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000824732467 655479648 /nfs/dbraw/zinc/47/96/48/655479648.db2.gz DCHRFKOAQUTGGV-VXGBXAGGSA-N 1 0 385.306 1.994 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824897411 655482047 /nfs/dbraw/zinc/48/20/47/655482047.db2.gz WVWXOXJQCBTGOC-HUUCEWRRSA-N 1 0 376.519 1.616 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1Cl ZINC000825187588 655485413 /nfs/dbraw/zinc/48/54/13/655485413.db2.gz ATXDUGFNVSMEHN-ZYHUDNBSSA-N 1 0 375.878 1.379 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)ccc1Br ZINC000825215475 655486030 /nfs/dbraw/zinc/48/60/30/655486030.db2.gz PKEODVNNLRVBPK-WCQYABFASA-N 1 0 387.299 1.677 20 0 GDADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000825512705 655490320 /nfs/dbraw/zinc/49/03/20/655490320.db2.gz IXXMTUOKTYAPCG-UHFFFAOYSA-N 1 0 399.333 1.734 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1)C(F)(F)F ZINC000848602394 655497366 /nfs/dbraw/zinc/49/73/66/655497366.db2.gz BBACUAMIBAAAPW-LURJTMIESA-N 1 0 389.559 1.442 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1)C(F)(F)F ZINC000848603471 655497370 /nfs/dbraw/zinc/49/73/70/655497370.db2.gz PSQYBRQCWJVTIR-GFCCVEGCSA-N 1 0 378.782 1.885 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000826877812 655502483 /nfs/dbraw/zinc/50/24/83/655502483.db2.gz MJWYUBCXGAPQDQ-JTQLQIEISA-N 1 0 390.303 1.168 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1SCCS1)c1ccc(F)cc1 ZINC000826952444 655503490 /nfs/dbraw/zinc/50/34/90/655503490.db2.gz LJGFWLGTZLUJQJ-AWEZNQCLSA-N 1 0 385.530 1.857 20 0 GDADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc(Cl)n1 ZINC000827032607 655504470 /nfs/dbraw/zinc/50/44/70/655504470.db2.gz HJELDZRPQUASKB-OCCSQVGLSA-N 1 0 388.921 1.221 20 0 GDADRO CON(C1CCCC1)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000848957507 655505881 /nfs/dbraw/zinc/50/58/81/655505881.db2.gz PWDOKSISBPVDJE-UHFFFAOYSA-N 1 0 391.515 1.080 20 0 GDADRO [NH2+]=C(NC[C@@H](O)COc1ccc(I)cc1)NC1CCC1 ZINC000849111711 655517359 /nfs/dbraw/zinc/51/73/59/655517359.db2.gz BGPGKMSSCOHASI-GFCCVEGCSA-N 1 0 389.237 1.697 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)cc2C1 ZINC000849380440 655524428 /nfs/dbraw/zinc/52/44/28/655524428.db2.gz WXGRASVUHDKOCN-GJZGRUSLSA-N 1 0 385.555 1.804 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Br)o1 ZINC000849422745 655532558 /nfs/dbraw/zinc/53/25/58/655532558.db2.gz FJCGRGZBTJZIAN-NSHDSACASA-N 1 0 382.324 1.592 20 0 GDADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000849429159 655533701 /nfs/dbraw/zinc/53/37/01/655533701.db2.gz JYZAQAYPXKRNIF-UHFFFAOYSA-N 1 0 391.921 1.288 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)ccc1Br ZINC000849429943 655533952 /nfs/dbraw/zinc/53/39/52/655533952.db2.gz XZVMGNYWXLMKDW-JTQLQIEISA-N 1 0 393.303 1.854 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc(Br)ccc2O)cn1 ZINC000849582551 655542574 /nfs/dbraw/zinc/54/25/74/655542574.db2.gz NQQCXBNWZSSAKS-NWDGAFQWSA-N 1 0 394.273 1.957 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2c(F)cncc2Br)CC1 ZINC000850129970 655550522 /nfs/dbraw/zinc/55/05/22/655550522.db2.gz CVISHTGSYVDAFQ-UHFFFAOYSA-N 1 0 394.310 1.582 20 0 GDADRO CCOC(=O)N1CCC([NH2+]CCNC(=O)c2ccc(Br)cn2)CC1 ZINC000850350327 655552796 /nfs/dbraw/zinc/55/27/96/655552796.db2.gz ANUJQKQOUIRHHN-UHFFFAOYSA-N 1 0 399.289 1.784 20 0 GDADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850496245 655556556 /nfs/dbraw/zinc/55/65/56/655556556.db2.gz MLIYPNVUDXNYCQ-BGJPBQGDSA-N 1 0 386.461 1.912 20 0 GDADRO C[C@H]([NH2+]CCc1ccoc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850531695 655557397 /nfs/dbraw/zinc/55/73/97/655557397.db2.gz MOSVHNMTNVTCHI-ZDUSSCGKSA-N 1 0 386.495 1.899 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cnc1Cl ZINC000850588525 655559265 /nfs/dbraw/zinc/55/92/65/655559265.db2.gz JTHJMMHKLYAFQB-UKRRQHHQSA-N 1 0 389.905 1.651 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NCC2([NH3+])CCCC2)s1 ZINC000850590286 655559321 /nfs/dbraw/zinc/55/93/21/655559321.db2.gz BPHFHOWTSDTPFB-UHFFFAOYSA-N 1 0 397.316 1.847 20 0 GDADRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000851643291 655589577 /nfs/dbraw/zinc/58/95/77/655589577.db2.gz SQZLJHXTVPTJOZ-LBPRGKRZSA-N 1 0 377.388 1.131 20 0 GDADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCS(=O)(=O)CC(F)(F)F)C1 ZINC000852005515 655605674 /nfs/dbraw/zinc/60/56/74/655605674.db2.gz WRGRYVFCHQLNKO-GFCCVEGCSA-N 1 0 387.468 1.773 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000852037983 655606441 /nfs/dbraw/zinc/60/64/41/655606441.db2.gz FJNXXJSKMFGMPK-ZIAGYGMSSA-N 1 0 386.451 1.174 20 0 GDADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000852186723 655609605 /nfs/dbraw/zinc/60/96/05/655609605.db2.gz IJXKRUKVMKFSEK-JHJVBQTASA-N 1 0 387.468 1.629 20 0 GDADRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](CCn2cnc(Br)n2)C1 ZINC000852205924 655610112 /nfs/dbraw/zinc/61/01/12/655610112.db2.gz WGPHFAFKHRPMEI-AWEZNQCLSA-N 1 0 378.274 1.679 20 0 GDADRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000852434512 655614111 /nfs/dbraw/zinc/61/41/11/655614111.db2.gz OJKQYFLZUHQONR-KGLIPLIRSA-N 1 0 385.258 1.715 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCn2ncc(Br)c2C1 ZINC000852637984 655619442 /nfs/dbraw/zinc/61/94/42/655619442.db2.gz KIJUGZAQOFRDPO-ZDUSSCGKSA-N 1 0 398.305 1.424 20 0 GDADRO COC(=O)C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000852814052 655623205 /nfs/dbraw/zinc/62/32/05/655623205.db2.gz QJZJXQYHNKDMBH-NEPJUHHUSA-N 1 0 384.230 1.273 20 0 GDADRO [NH3+]C1(CNC(=O)c2cccn3c(I)cnc23)CCCC1 ZINC000852852413 655624137 /nfs/dbraw/zinc/62/41/37/655624137.db2.gz WXJDOGRLCOQFJI-UHFFFAOYSA-N 1 0 384.221 1.940 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000852868846 655624741 /nfs/dbraw/zinc/62/47/41/655624741.db2.gz WBHYBGUXDNQWQP-OAHLLOKOSA-N 1 0 391.921 1.368 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000852881534 655625123 /nfs/dbraw/zinc/62/51/23/655625123.db2.gz XNVUYXGDDQOBPR-LBPRGKRZSA-N 1 0 391.212 1.904 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000852892595 655625554 /nfs/dbraw/zinc/62/55/54/655625554.db2.gz LTOOGIHOILPRSB-STQMWFEESA-N 1 0 385.306 1.850 20 0 GDADRO CCO[C@@H]1CN(C(=O)[C@@]2(C)CC2(Br)Br)C[C@H]1C[NH3+] ZINC000852895889 655625670 /nfs/dbraw/zinc/62/56/70/655625670.db2.gz LXKGYIRMZSPXQZ-FXPVBKGRSA-N 1 0 384.112 1.705 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccccn1)c1cccc(Cl)c1Cl ZINC000853105494 655632713 /nfs/dbraw/zinc/63/27/13/655632713.db2.gz HRUSRNCVCXELCD-CYBMUJFWSA-N 1 0 390.292 1.990 20 0 GDADRO CN(CC1C[NH+](C)C1)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000853555354 655642727 /nfs/dbraw/zinc/64/27/27/655642727.db2.gz IZAAXXQKIMXHSU-KRWDZBQOSA-N 1 0 395.301 1.667 20 0 GDADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000853820153 655650981 /nfs/dbraw/zinc/65/09/81/655650981.db2.gz IPGKSFDHCTZLFL-CVEARBPZSA-N 1 0 375.535 1.144 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1(Br)Br ZINC000854744033 655675739 /nfs/dbraw/zinc/67/57/39/655675739.db2.gz RRQUFRMVAOVMLY-PWSUYJOCSA-N 1 0 398.139 1.846 20 0 GDADRO COc1ccc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)nc1Br ZINC000855347079 655692410 /nfs/dbraw/zinc/69/24/10/655692410.db2.gz SFKGTAJLBSKGKU-LBPRGKRZSA-N 1 0 387.322 1.855 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000855574338 655696623 /nfs/dbraw/zinc/69/66/23/655696623.db2.gz QHUWHYKWZMUGLS-UHFFFAOYSA-N 1 0 378.416 1.989 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CCO1 ZINC000856428557 655713165 /nfs/dbraw/zinc/71/31/65/655713165.db2.gz XRKZGKVUUCDRHK-CYBMUJFWSA-N 1 0 388.917 1.926 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CC[NH2+]1 ZINC000856490697 655714082 /nfs/dbraw/zinc/71/40/82/655714082.db2.gz PIHSUTRFFBKKGJ-LBPRGKRZSA-N 1 0 390.303 1.167 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(cc1Br)OCO2 ZINC000857088460 655727457 /nfs/dbraw/zinc/72/74/57/655727457.db2.gz FGPUPMXDFAEHQW-GHMZBOCLSA-N 1 0 383.242 1.771 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C2 ZINC000858636068 655751679 /nfs/dbraw/zinc/75/16/79/655751679.db2.gz IFNYPCXASRNTQY-GASCZTMLSA-N 1 0 392.930 1.364 20 0 GDADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000858969548 655757783 /nfs/dbraw/zinc/75/77/83/655757783.db2.gz ORRPQIMRWINBBO-LBPRGKRZSA-N 1 0 379.404 1.902 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859111964 655763860 /nfs/dbraw/zinc/76/38/60/655763860.db2.gz XVLWJJAVOVELHI-UHFFFAOYSA-N 1 0 379.866 1.111 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(Br)nc3F)C2)C1 ZINC000859167770 655767204 /nfs/dbraw/zinc/76/72/04/655767204.db2.gz CSPIWIAISRAWNH-CYBMUJFWSA-N 1 0 378.267 1.700 20 0 GDADRO CCOC(=O)c1c(NC(=O)N(C)C[C@H](C)[NH3+])sc2c1CCS(=O)(=O)C2 ZINC000859666408 655788558 /nfs/dbraw/zinc/78/85/58/655788558.db2.gz MCJZRBFTCJKQOT-VIFPVBQESA-N 1 0 389.499 1.207 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000861151495 655815153 /nfs/dbraw/zinc/81/51/53/655815153.db2.gz MQYAAXAMPDFWCC-JTQLQIEISA-N 1 0 379.408 1.709 20 0 GDADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2c(I)cnn2C)C1 ZINC000861351446 655819781 /nfs/dbraw/zinc/81/97/81/655819781.db2.gz CSZRITFRWDKQMM-RNCFNFMXSA-N 1 0 393.225 1.291 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C[NH2+]1 ZINC000861524152 655824628 /nfs/dbraw/zinc/82/46/28/655824628.db2.gz SPXMQSIYLHUJDU-ZJUUUORDSA-N 1 0 398.257 1.416 20 0 GDADRO CC[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000861756066 655830085 /nfs/dbraw/zinc/83/00/85/655830085.db2.gz XZNQMHRPFXARBK-OLZOCXBDSA-N 1 0 384.318 1.940 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000861763329 655830134 /nfs/dbraw/zinc/83/01/34/655830134.db2.gz VTZKCUVJSVEKBH-AXTSPUMRSA-N 1 0 377.329 1.818 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861771233 655830385 /nfs/dbraw/zinc/83/03/85/655830385.db2.gz FYXQUWDPUWOHAW-CQSZACIVSA-N 1 0 398.276 1.648 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000862725895 655852578 /nfs/dbraw/zinc/85/25/78/655852578.db2.gz YXRJEPPYIVXEJR-CQSZACIVSA-N 1 0 385.917 1.949 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1c(Br)nc2n1CCOC2 ZINC000863028427 655860409 /nfs/dbraw/zinc/86/04/09/655860409.db2.gz LIYILGXXZOUCRD-LBPRGKRZSA-N 1 0 383.290 1.923 20 0 GDADRO C[NH+]1CCC(CNC(=S)NCC2(OCCO)CCC(F)(F)CC2)CC1 ZINC000863216391 655863156 /nfs/dbraw/zinc/86/31/56/655863156.db2.gz SKHIATRFYNUJGI-UHFFFAOYSA-N 1 0 379.517 1.749 20 0 GDADRO COC(=O)[C@]1(OC)CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000863296370 655865264 /nfs/dbraw/zinc/86/52/64/655865264.db2.gz FSUQPDPLNBLLFE-INIZCTEOSA-N 1 0 396.241 1.380 20 0 GDADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000863570394 655875982 /nfs/dbraw/zinc/87/59/82/655875982.db2.gz GGDNROGGVQRRLI-SJLPKXTDSA-N 1 0 399.329 1.688 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000863764007 655880420 /nfs/dbraw/zinc/88/04/20/655880420.db2.gz OERRUWROGBJHKZ-NXEZZACHSA-N 1 0 378.420 1.674 20 0 GDADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863831615 655882778 /nfs/dbraw/zinc/88/27/78/655882778.db2.gz LLXIOAWHZRENNC-LBPRGKRZSA-N 1 0 395.253 1.660 20 0 GDADRO C[NH2+]C1(CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)CCC1 ZINC000863922778 655883656 /nfs/dbraw/zinc/88/36/56/655883656.db2.gz DARUARHKWJRFAI-UHFFFAOYSA-N 1 0 375.288 1.725 20 0 GDADRO Cn1cc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c(I)n1 ZINC000864052773 655888058 /nfs/dbraw/zinc/88/80/58/655888058.db2.gz ADCJRVWAQBLDMS-UHFFFAOYSA-N 1 0 390.269 1.763 20 0 GDADRO C[C@@H](CNC(=O)c1cc(I)nn1C)[NH+]1CCC(C)CC1 ZINC000865029159 655910453 /nfs/dbraw/zinc/91/04/53/655910453.db2.gz PZDSNWYSWAYBNA-NSHDSACASA-N 1 0 390.269 1.875 20 0 GDADRO CCN(CCC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000865424355 655919561 /nfs/dbraw/zinc/91/95/61/655919561.db2.gz YFCYMAUKYPZDEQ-UHFFFAOYSA-N 1 0 375.535 1.647 20 0 GDADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000865465647 655920290 /nfs/dbraw/zinc/92/02/90/655920290.db2.gz 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CCN1CC[NH+](C[C@@H](C)CNC(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000865802273 655927439 /nfs/dbraw/zinc/92/74/39/655927439.db2.gz ISBCBGUTESIEAZ-AWEZNQCLSA-N 1 0 399.333 1.001 20 0 GDADRO CC(C)n1ncc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1I ZINC000865808339 655927546 /nfs/dbraw/zinc/92/75/46/655927546.db2.gz IFBOQNHIMHKFPT-SNVBAGLBSA-N 1 0 376.242 1.893 20 0 GDADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Br)no1 ZINC000866018336 655933066 /nfs/dbraw/zinc/93/30/66/655933066.db2.gz IMMLUKLMOVLGOL-ZDUSSCGKSA-N 1 0 380.242 1.934 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(I)nn2C)[C@@H](C)C1 ZINC000866047696 655933898 /nfs/dbraw/zinc/93/38/98/655933898.db2.gz FVCQSRTVFJNUAI-QWRGUYRKSA-N 1 0 390.269 1.827 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(c3c(F)cc(S(N)(=O)=O)cc3Br)CC[C@H]21 ZINC000866209687 655936126 /nfs/dbraw/zinc/93/61/26/655936126.db2.gz VATHFMAYGWRPHK-TVQRCGJNSA-N 1 0 392.294 1.766 20 0 GDADRO O=C1COC[C@]2(C[NH2+][C@@H]3CCc4sc(Br)cc43)COCCN12 ZINC000866553491 655949027 /nfs/dbraw/zinc/94/90/27/655949027.db2.gz 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Cn1ncc(S(=O)(=O)N2CCCc3cc(C[NH3+])ccc32)c1Br ZINC000866740419 655957936 /nfs/dbraw/zinc/95/79/36/655957936.db2.gz OFEAUBMPVKEKBI-UHFFFAOYSA-N 1 0 385.287 1.783 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000866741661 655958024 /nfs/dbraw/zinc/95/80/24/655958024.db2.gz HCXQFAQDSFQRCP-CYBMUJFWSA-N 1 0 376.320 1.162 20 0 GDADRO Cn1ncc(S(=O)(=O)N(CCC[NH3+])Cc2ccccc2)c1Br ZINC000866758977 655959648 /nfs/dbraw/zinc/95/96/48/655959648.db2.gz KCUODZCTYASJJK-UHFFFAOYSA-N 1 0 387.303 1.722 20 0 GDADRO COC[C@]1(CNS(=O)(=O)c2cc3nc(Cl)ncc3s2)CCC[NH2+]1 ZINC000866763543 655960193 /nfs/dbraw/zinc/96/01/93/655960193.db2.gz FOQAXMQUEQCNOD-CYBMUJFWSA-N 1 0 376.891 1.392 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1Br ZINC000866765070 655960396 /nfs/dbraw/zinc/96/03/96/655960396.db2.gz QQVWRQBBOHZTOQ-LBPRGKRZSA-N 1 0 385.287 1.348 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866766649 655960676 /nfs/dbraw/zinc/96/06/76/655960676.db2.gz XMXKGUFFJHVMGV-GHMZBOCLSA-N 1 0 377.308 1.573 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Br)n1 ZINC000866770473 655961196 /nfs/dbraw/zinc/96/11/96/655961196.db2.gz ZMHLSRRMXMRYOG-MNOVXSKESA-N 1 0 377.308 1.193 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Br)n1 ZINC000866770372 655961202 /nfs/dbraw/zinc/96/12/02/655961202.db2.gz WBDZVYOMLHCFCJ-QWRGUYRKSA-N 1 0 377.308 1.335 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Br)n1 ZINC000866770370 655961225 /nfs/dbraw/zinc/96/12/25/655961225.db2.gz WBDZVYOMLHCFCJ-MNOVXSKESA-N 1 0 377.308 1.335 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)ccc1Cl ZINC000866783666 655963142 /nfs/dbraw/zinc/96/31/42/655963142.db2.gz QRESRKTZLDRJKH-NSHDSACASA-N 1 0 380.919 1.636 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)s1 ZINC000866811238 655966165 /nfs/dbraw/zinc/96/61/65/655966165.db2.gz NVMVCUVATNFVIK-LLVKDONJSA-N 1 0 375.516 1.313 20 0 GDADRO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1S(=O)(=O)C(F)F ZINC000866810390 655966186 /nfs/dbraw/zinc/96/61/86/655966186.db2.gz WEYRIWFYRMIQSW-ZSBIGDGJSA-N 1 0 394.465 1.492 20 0 GDADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000866815268 655966523 /nfs/dbraw/zinc/96/65/23/655966523.db2.gz OKBGBGKJTAAOII-QGZVFWFLSA-N 1 0 388.555 1.617 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866818218 655966830 /nfs/dbraw/zinc/96/68/30/655966830.db2.gz UHDXBHZVTBMFMF-MJBXVCDLSA-N 1 0 385.873 1.204 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866825840 655967454 /nfs/dbraw/zinc/96/74/54/655967454.db2.gz SMYJGKUHDUQVSF-QWHCGFSZSA-N 1 0 388.287 1.063 20 0 GDADRO O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866825428 655967457 /nfs/dbraw/zinc/96/74/57/655967457.db2.gz QIGHQFOIAKKYQJ-QWHCGFSZSA-N 1 0 398.428 1.495 20 0 GDADRO C[S@@](=O)(=NS(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000866842498 655969392 /nfs/dbraw/zinc/96/93/92/655969392.db2.gz CVESMPLEDOTYHZ-MYYSRTQBSA-N 1 0 389.543 1.215 20 0 GDADRO C[S@](=O)(=NS(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1F ZINC000866855092 655970644 /nfs/dbraw/zinc/97/06/44/655970644.db2.gz WSEBUGHUOCOAGO-LFPIHBKWSA-N 1 0 389.518 1.945 20 0 GDADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000866862446 655971566 /nfs/dbraw/zinc/97/15/66/655971566.db2.gz IDHJAFNFIKPOAZ-UHFFFAOYSA-N 1 0 393.351 1.925 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC[N@@H+]1C ZINC000866871141 655972193 /nfs/dbraw/zinc/97/21/93/655972193.db2.gz FTEPUXVNRKKHAA-MNOVXSKESA-N 1 0 379.404 1.948 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866873356 655972352 /nfs/dbraw/zinc/97/23/52/655972352.db2.gz ARQQNKMUIIUPGW-LBPRGKRZSA-N 1 0 395.356 1.940 20 0 GDADRO CC(=O)N[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)c1cccc(Br)c1 ZINC000866921499 655977476 /nfs/dbraw/zinc/97/74/76/655977476.db2.gz WUQDUQZALVYVSP-ZBFHGGJFSA-N 1 0 386.290 1.055 20 0 GDADRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000866923871 655977833 /nfs/dbraw/zinc/97/78/33/655977833.db2.gz BGGAJKXILMMOAP-HNNXBMFYSA-N 1 0 375.535 1.743 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000866944249 655980232 /nfs/dbraw/zinc/98/02/32/655980232.db2.gz RHLRMZYSKFYTOZ-HZPDHXFCSA-N 1 0 388.555 1.688 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)N=[S@](C)(=O)c3ccccc3F)CC[C@H]21 ZINC000866973002 655983372 /nfs/dbraw/zinc/98/33/72/655983372.db2.gz XXWYQFLCZUEAIC-NJUKPOPLSA-N 1 0 389.518 1.943 20 0 GDADRO CC[NH+](CC)CCN(C(=O)CC(F)(F)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000866986984 655984500 /nfs/dbraw/zinc/98/45/00/655984500.db2.gz CSTXBHXIFCLZMI-NSHDSACASA-N 1 0 394.406 1.932 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1[NH+](C)C ZINC000867025763 655988640 /nfs/dbraw/zinc/98/86/40/655988640.db2.gz QMLVAHUVHGNIGL-KBPBESRZSA-N 1 0 393.575 1.161 20 0 GDADRO C[NH+](C)CC1CCN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000867036440 655989935 /nfs/dbraw/zinc/98/99/35/655989935.db2.gz WFONHDDHGWSSAY-UHFFFAOYSA-N 1 0 375.535 1.457 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000867190619 656008971 /nfs/dbraw/zinc/00/89/71/656008971.db2.gz HINWTMHZRCCXDC-OAHLLOKOSA-N 1 0 375.535 1.599 20 0 GDADRO CC(=O)N[C@@H](C(=O)NCCOCC[NH+](C)C)c1cccc(Br)c1 ZINC000867240941 656020640 /nfs/dbraw/zinc/02/06/40/656020640.db2.gz FYLVZMRPNZVXDQ-OAHLLOKOSA-N 1 0 386.290 1.321 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000867273481 656028829 /nfs/dbraw/zinc/02/88/29/656028829.db2.gz IRCMOSJPDAZPKZ-UHFFFAOYSA-N 1 0 388.921 1.985 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCSCCC(F)(F)F ZINC000867405294 656054778 /nfs/dbraw/zinc/05/47/78/656054778.db2.gz ADHBVYOWEASKCH-GFCCVEGCSA-N 1 0 383.480 1.977 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1Br ZINC000867563664 656084783 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656663556 /nfs/dbraw/zinc/66/35/56/656663556.db2.gz REKABXDPLOTWQE-UPJWGTAASA-N 1 0 386.905 1.145 20 0 GDADRO Cn1nnnc1C1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000877295133 656664999 /nfs/dbraw/zinc/66/49/99/656664999.db2.gz JOPPTZPXWMPNDP-CYBMUJFWSA-N 1 0 379.262 1.379 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877330519 656667880 /nfs/dbraw/zinc/66/78/80/656667880.db2.gz CPVDNHXTNPTQRZ-ZDUSSCGKSA-N 1 0 397.317 1.799 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877343857 656668379 /nfs/dbraw/zinc/66/83/79/656668379.db2.gz AKNWFRQGMJBZBY-OAHLLOKOSA-N 1 0 376.254 1.442 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C(F)(F)F ZINC000877358584 656669595 /nfs/dbraw/zinc/66/95/95/656669595.db2.gz PUCTZGFMFKAUTF-SKDRFNHKSA-N 1 0 399.822 1.214 20 0 GDADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924662851 656669887 /nfs/dbraw/zinc/66/98/87/656669887.db2.gz DRONNWLTSDOIHU-INIZCTEOSA-N 1 0 381.318 1.975 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1C(F)(F)F ZINC000877368159 656670900 /nfs/dbraw/zinc/67/09/00/656670900.db2.gz RYFVQLHZHGYVKY-GXSJLCMTSA-N 1 0 386.342 1.892 20 0 GDADRO CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000877369321 656671355 /nfs/dbraw/zinc/67/13/55/656671355.db2.gz LYNAJLZLVBQRLX-WCQYABFASA-N 1 0 379.404 1.194 20 0 GDADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877369773 656671746 /nfs/dbraw/zinc/67/17/46/656671746.db2.gz XWVNNRWMQPMPQT-RWMBFGLXSA-N 1 0 385.452 1.176 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C2 ZINC000877372357 656671889 /nfs/dbraw/zinc/67/18/89/656671889.db2.gz DJVNRWUIQVVPOZ-PWXKEOIMSA-N 1 0 380.286 1.990 20 0 GDADRO CN(CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)C(=O)c1ccc(Br)s1 ZINC000877396097 656673203 /nfs/dbraw/zinc/67/32/03/656673203.db2.gz SCWTVLGAPLJPHA-IAQYHMDHSA-N 1 0 386.315 1.983 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877394009 656673215 /nfs/dbraw/zinc/67/32/15/656673215.db2.gz BGWINWRHOIOHMX-ZFWWWQNUSA-N 1 0 387.299 1.624 20 0 GDADRO O=S(=O)(NCC[NH2+]CC1CCS(=O)(=O)CC1)c1ccc(F)cc1Cl ZINC000877503464 656677600 /nfs/dbraw/zinc/67/76/00/656677600.db2.gz MVAATPXHJYKBOH-UHFFFAOYSA-N 1 0 398.909 1.172 20 0 GDADRO C[NH+](C)C[C@H]1NC(=O)N([C@H]2CCN(c3cccc(Br)c3)C2)C1=O ZINC000924857938 656682567 /nfs/dbraw/zinc/68/25/67/656682567.db2.gz VYEOAKPMIXJIET-UONOGXRCSA-N 1 0 381.274 1.510 20 0 GDADRO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CS1(=O)=O ZINC000877629179 656684595 /nfs/dbraw/zinc/68/45/95/656684595.db2.gz PDKDTOOPRTVENG-MCIONIFRSA-N 1 0 376.519 1.914 20 0 GDADRO C[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000924919582 656687353 /nfs/dbraw/zinc/68/73/53/656687353.db2.gz ILJLRZIGUUBZQW-QKCSRTOESA-N 1 0 377.222 1.655 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCO[C@H]2C(=O)OC)cc1Br ZINC000877723069 656689174 /nfs/dbraw/zinc/68/91/74/656689174.db2.gz RTUUMFJXYARFMQ-BXUZGUMPSA-N 1 0 386.242 1.903 20 0 GDADRO C[N@H+](CCNC(=O)Nc1ccc(Br)cc1F)CCOCCO ZINC000877929350 656698130 /nfs/dbraw/zinc/69/81/30/656698130.db2.gz XMZNVHFCAVGKRC-UHFFFAOYSA-N 1 0 378.242 1.650 20 0 GDADRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)C1CCN(S(C)(=O)=O)CC1 ZINC000925215231 656700996 /nfs/dbraw/zinc/70/09/96/656700996.db2.gz AZBUTSQGHFLVDF-AWEZNQCLSA-N 1 0 388.555 1.381 20 0 GDADRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1CC1(n2cc(Br)cn2)CC1 ZINC000925249997 656702679 /nfs/dbraw/zinc/70/26/79/656702679.db2.gz DQWPNGPNZGAKIP-ZDUSSCGKSA-N 1 0 396.289 1.541 20 0 GDADRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000925420390 656710689 /nfs/dbraw/zinc/71/06/89/656710689.db2.gz VABBFLOAAQJYHF-RISCZKNCSA-N 1 0 381.274 1.336 20 0 GDADRO Cc1nc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)sc1Br ZINC000878197737 656710750 /nfs/dbraw/zinc/71/07/50/656710750.db2.gz GWEWKXWBNZWKRI-LBPRGKRZSA-N 1 0 387.347 1.952 20 0 GDADRO CC[C@H](C[C@](C)(O)CC)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000925434856 656712014 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GDADRO COC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)c2cc(Br)no2)CC1 ZINC000878457242 656726198 /nfs/dbraw/zinc/72/61/98/656726198.db2.gz UQIOLCXCQFMZPN-ONGXEEELSA-N 1 0 376.251 1.927 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000926055628 656732363 /nfs/dbraw/zinc/73/23/63/656732363.db2.gz UPQYLFZZRIVHAJ-ZDUSSCGKSA-N 1 0 393.200 1.748 20 0 GDADRO Cc1cc(I)cc(NC(=O)N2CCNCC[NH2+]CC2)c1 ZINC000926115075 656736988 /nfs/dbraw/zinc/73/69/88/656736988.db2.gz DPKROCGZCYEIHN-UHFFFAOYSA-N 1 0 388.253 1.626 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Br)n(C)n3)C2)[C@H]1C(C)C ZINC000926234719 656741417 /nfs/dbraw/zinc/74/14/17/656741417.db2.gz BKSGKIYDOWADAW-SMKXDYDZSA-N 1 0 399.333 1.782 20 0 GDADRO C[N@H+](C[C@H](O)CC1(O)CCOCC1)C[C@H](O)c1cccc(Br)c1 ZINC000878709611 656743415 /nfs/dbraw/zinc/74/34/15/656743415.db2.gz PLJTZNQWRUZERM-CVEARBPZSA-N 1 0 388.302 1.707 20 0 GDADRO O=S(=O)(NCC[NH2+][C@@H]1CCOC12CCOCC2)c1ccc(F)cc1F ZINC000926356097 656749484 /nfs/dbraw/zinc/74/94/84/656749484.db2.gz FFRFEQGDECNUSE-OAHLLOKOSA-N 1 0 376.425 1.171 20 0 GDADRO C[N@H+](CCNC(=O)Nc1ccc(Br)c(F)c1)CCOCCO ZINC000878819115 656750294 /nfs/dbraw/zinc/75/02/94/656750294.db2.gz PTXZZIFJVGZDRR-UHFFFAOYSA-N 1 0 378.242 1.650 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000926415158 656753565 /nfs/dbraw/zinc/75/35/65/656753565.db2.gz GORJWDJKVUHTET-IUODEOHRSA-N 1 0 398.301 1.450 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)c1cccc(Br)c1 ZINC000926415160 656753573 /nfs/dbraw/zinc/75/35/73/656753573.db2.gz GORJWDJKVUHTET-WFASDCNBSA-N 1 0 398.301 1.450 20 0 GDADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)C1 ZINC000926432147 656754177 /nfs/dbraw/zinc/75/41/77/656754177.db2.gz LZYVXYOAQVDKFN-LLVKDONJSA-N 1 0 398.276 1.670 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000878865319 656754603 /nfs/dbraw/zinc/75/46/03/656754603.db2.gz WGZLSZBRYSNPRV-KBPBESRZSA-N 1 0 385.555 1.578 20 0 GDADRO OCC1([C@@H]([NH2+]C[C@@H](O)c2cc(Br)no2)C2CC2)CCOCC1 ZINC000878878012 656755957 /nfs/dbraw/zinc/75/59/57/656755957.db2.gz ALLJCMHJBOGJNU-RISCZKNCSA-N 1 0 375.263 1.628 20 0 GDADRO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000926504748 656759013 /nfs/dbraw/zinc/75/90/13/656759013.db2.gz VLKJJBFXWQFLDP-HLIUYOAVSA-N 1 0 380.576 1.240 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cs1)C(N)=O ZINC000878985517 656765053 /nfs/dbraw/zinc/76/50/53/656765053.db2.gz GSZLFMXVCXWEJT-TZMCWYRMSA-N 1 0 384.571 1.984 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000879017831 656767999 /nfs/dbraw/zinc/76/79/99/656767999.db2.gz LGNXVNGSHNDIKH-HIFRSBDPSA-N 1 0 385.555 1.530 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2csc(S[C@H](C)C(N)=O)n2)C1 ZINC000879018873 656768138 /nfs/dbraw/zinc/76/81/38/656768138.db2.gz JYYWIXBPYRAZHP-OLZOCXBDSA-N 1 0 384.571 1.842 20 0 GDADRO CC[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)C(=O)NCc1cccs1 ZINC000926638210 656775615 /nfs/dbraw/zinc/77/56/15/656775615.db2.gz RCWAYPNRVJSEMI-BBRMVZONSA-N 1 0 387.571 1.793 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cs1)C(N)=O ZINC000879117894 656776033 /nfs/dbraw/zinc/77/60/33/656776033.db2.gz AKEUAFKQCJOUEI-SUNKGSAMSA-N 1 0 382.555 1.783 20 0 GDADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000926784196 656779479 /nfs/dbraw/zinc/77/94/79/656779479.db2.gz CZHYLKNTJHQDIZ-BHDSKKPTSA-N 1 0 384.274 1.877 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cs1)C(N)=O ZINC000879184545 656780259 /nfs/dbraw/zinc/78/02/59/656780259.db2.gz ODRVWGATXUZAEP-OBJOEFQTSA-N 1 0 382.555 1.594 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000926874589 656781609 /nfs/dbraw/zinc/78/16/09/656781609.db2.gz VNVNZCNHOUOBPP-ZDUSSCGKSA-N 1 0 375.535 1.788 20 0 GDADRO OCCCCCC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000879204296 656782364 /nfs/dbraw/zinc/78/23/64/656782364.db2.gz RVGXSZZXDRCWJP-UHFFFAOYSA-N 1 0 390.269 1.756 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CC[C@H]2CNC(=O)C2)ccc1S(=O)(=O)C(F)F ZINC000926988965 656786018 /nfs/dbraw/zinc/78/60/18/656786018.db2.gz UOBJLNBZBUJOCQ-GHMZBOCLSA-N 1 0 376.425 1.868 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879360971 656789923 /nfs/dbraw/zinc/78/99/23/656789923.db2.gz NKLBXAUDPLGOKG-GOEBONIOSA-N 1 0 385.302 1.473 20 0 GDADRO C[N@H+](CCNC(=O)Nc1cc(F)cc(Br)c1F)CCOCCO ZINC000879402051 656791782 /nfs/dbraw/zinc/79/17/82/656791782.db2.gz DPLGVDOBQWCDDB-UHFFFAOYSA-N 1 0 396.232 1.790 20 0 GDADRO NC(=O)C1([NH2+]CCCc2ccccc2Br)CCS(=O)(=O)CC1 ZINC000879410999 656792861 /nfs/dbraw/zinc/79/28/61/656792861.db2.gz IILVJMWAMAPYDU-UHFFFAOYSA-N 1 0 389.315 1.404 20 0 GDADRO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879556845 656805510 /nfs/dbraw/zinc/80/55/10/656805510.db2.gz WPFDBLJJFFJZAX-LSDHHAIUSA-N 1 0 381.567 1.898 20 0 GDADRO O=C(C[N@@H+]1CC[C@H]2CSC[C@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000879558005 656805599 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[NH3+][C@]1(CO)CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000927884137 656850028 /nfs/dbraw/zinc/85/00/28/656850028.db2.gz DVDLAUVARKDETA-CQSZACIVSA-N 1 0 379.766 1.610 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cs1)C(N)=O ZINC000879981838 656850250 /nfs/dbraw/zinc/85/02/50/656850250.db2.gz XTMFHVVLFUXBSX-MBNYWOFBSA-N 1 0 382.555 1.737 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC[C@H]1C[NH3+] ZINC000927891528 656851780 /nfs/dbraw/zinc/85/17/80/656851780.db2.gz RSKKGVWYKFQNMF-IUCAKERBSA-N 1 0 389.681 1.879 20 0 GDADRO C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C(N)=O ZINC000928083670 656868367 /nfs/dbraw/zinc/86/83/67/656868367.db2.gz AISCFPUXGBWTGL-CFVMTHIKSA-N 1 0 379.551 1.962 20 0 GDADRO Cc1sc2ncc(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)c(=O)n2c1C ZINC000928091084 656870104 /nfs/dbraw/zinc/87/01/04/656870104.db2.gz PBXHFCFUAHNWTM-UONOGXRCSA-N 1 0 378.523 1.682 20 0 GDADRO CSc1nc(C)c(CCC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(=O)[nH]1 ZINC000928096977 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/nfs/dbraw/zinc/21/01/52/657210152.db2.gz NFFFHSVTYCQSBW-HNNXBMFYSA-N 1 0 399.333 1.150 20 0 GDADRO C[C@H]1C[N@H+](CC2CN(S(C)(=O)=O)C2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000932709563 657212028 /nfs/dbraw/zinc/21/20/28/657212028.db2.gz IYCPLLPUEHUEOJ-DZGCQCFKSA-N 1 0 375.535 1.361 20 0 GDADRO C[C@@H](CNC(=O)c1nc(Br)c2ccccn21)N1CC[NH+](C)CC1 ZINC000932724150 657214240 /nfs/dbraw/zinc/21/42/40/657214240.db2.gz ZQPAYYSDEPMUQV-LBPRGKRZSA-N 1 0 380.290 1.463 20 0 GDADRO CNC(=O)NC(=O)[C@@H](C)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932811192 657223542 /nfs/dbraw/zinc/22/35/42/657223542.db2.gz GZHNCXLJJWGJNS-BZNIZROVSA-N 1 0 384.274 1.577 20 0 GDADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc3c(cc1Br)OCO3)CC2 ZINC000932832493 657226404 /nfs/dbraw/zinc/22/64/04/657226404.db2.gz NFLBTYBMWPGMLG-GFCCVEGCSA-N 1 0 397.269 1.641 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000883140769 657274935 /nfs/dbraw/zinc/27/49/35/657274935.db2.gz DXFDPEVQMBCWCO-AWEZNQCLSA-N 1 0 376.567 1.512 20 0 GDADRO C[C@H](NC(=O)c1cnn2cccc(Br)c12)[C@H]1C[N@H+](C)CCN1C ZINC000933387140 657275067 /nfs/dbraw/zinc/27/50/67/657275067.db2.gz NRSZNAUXBAMBGH-SMDDNHRTSA-N 1 0 380.290 1.461 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC23OCCO3)cc1Br ZINC000883177481 657276526 /nfs/dbraw/zinc/27/65/26/657276526.db2.gz BCTMMTYMRLCKNK-ZDUSSCGKSA-N 1 0 391.287 1.482 20 0 GDADRO COC[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)[C@@H]1CCCOC1 ZINC000883233634 657278271 /nfs/dbraw/zinc/27/82/71/657278271.db2.gz NBJRRXYKPCBQJH-IUODEOHRSA-N 1 0 386.290 1.605 20 0 GDADRO CS(=O)(=O)[C@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000883246427 657278984 /nfs/dbraw/zinc/27/89/84/657278984.db2.gz INBTXBAULLDOSX-DZKIICNBSA-N 1 0 385.555 1.835 20 0 GDADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000933438725 657281215 /nfs/dbraw/zinc/28/12/15/657281215.db2.gz ZCAIMEMWYKHDLG-DOTOQJQBSA-N 1 0 385.302 1.627 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000933438153 657281242 /nfs/dbraw/zinc/28/12/42/657281242.db2.gz SLBIGSPIYAORMG-IYOUNJFTSA-N 1 0 399.329 1.968 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC000933497779 657283728 /nfs/dbraw/zinc/28/37/28/657283728.db2.gz HTMLVCHABGBEPM-WMLDXEAASA-N 1 0 375.535 1.695 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000933491325 657283954 /nfs/dbraw/zinc/28/39/54/657283954.db2.gz LPJHOFZSSNMITR-AWEZNQCLSA-N 1 0 398.301 1.959 20 0 GDADRO CS(=O)(=O)c1ccc(F)c(NC(=O)CN(CCC[NH3+])CC(F)(F)F)c1 ZINC000883444461 657287121 /nfs/dbraw/zinc/28/71/21/657287121.db2.gz VEYKVSZQLINQBY-UHFFFAOYSA-N 1 0 385.383 1.381 20 0 GDADRO Cc1nc(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)sc1Br ZINC000883437460 657287230 /nfs/dbraw/zinc/28/72/30/657287230.db2.gz SNBMQENSTBGCEX-UHFFFAOYSA-N 1 0 388.335 1.357 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000883449593 657287686 /nfs/dbraw/zinc/28/76/86/657287686.db2.gz ZIGXYGBTUMMLGH-CYBMUJFWSA-N 1 0 397.317 1.578 20 0 GDADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000883467867 657288132 /nfs/dbraw/zinc/28/81/32/657288132.db2.gz BHXXDXWZYOOARV-SECBINFHSA-N 1 0 383.695 1.678 20 0 GDADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc1 ZINC000883470751 657288949 /nfs/dbraw/zinc/28/89/49/657288949.db2.gz GJGHUEGGTBDMBU-YVMONPNESA-N 1 0 380.388 1.775 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cncc(Br)c1)C2 ZINC000883481317 657292069 /nfs/dbraw/zinc/29/20/69/657292069.db2.gz GNYFJZCTFOVSRV-UHFFFAOYSA-N 1 0 389.300 1.506 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883592859 657300166 /nfs/dbraw/zinc/30/01/66/657300166.db2.gz VQLTTZTWDDMOLY-SECBINFHSA-N 1 0 383.246 1.901 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)C1 ZINC000933712938 657300662 /nfs/dbraw/zinc/30/06/62/657300662.db2.gz BQMMAETUISCPPO-NEPJUHHUSA-N 1 0 378.420 1.566 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2cscc2Br)CC1 ZINC000883639321 657303198 /nfs/dbraw/zinc/30/31/98/657303198.db2.gz MESKTCWZODFLIT-UHFFFAOYSA-N 1 0 388.331 1.927 20 0 GDADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cnn(C)c1I ZINC000933736667 657310044 /nfs/dbraw/zinc/31/00/44/657310044.db2.gz XZMRYQNHSGUXFT-DTWKUNHWSA-N 1 0 377.230 1.581 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000933838948 657322577 /nfs/dbraw/zinc/32/25/77/657322577.db2.gz SYIZBMRPHFPXNQ-ZDUSSCGKSA-N 1 0 396.285 1.448 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CCC3(C2)CC[NH2+]CC3)cs1)C(N)=O ZINC000884243147 657339907 /nfs/dbraw/zinc/33/99/07/657339907.db2.gz WNNFLDPMZXLUDW-CYBMUJFWSA-N 1 0 382.555 1.644 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000934164522 657342782 /nfs/dbraw/zinc/34/27/82/657342782.db2.gz FLXPYWKYIAWFIW-UHFFFAOYSA-N 1 0 395.305 1.248 20 0 GDADRO COC(=O)C1(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CCOCC1 ZINC000884318990 657344930 /nfs/dbraw/zinc/34/49/30/657344930.db2.gz KOOSOGNHJUQLFE-ZDUSSCGKSA-N 1 0 385.258 1.535 20 0 GDADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3nn4c(c3Br)CCC4)CC2)C1 ZINC000884342390 657348822 /nfs/dbraw/zinc/34/88/22/657348822.db2.gz ABSDYQPIPUZTTC-JSGCOSHPSA-N 1 0 397.317 1.950 20 0 GDADRO O=C(CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO)Nc1ccc(Br)cn1 ZINC000934260498 657349002 /nfs/dbraw/zinc/34/90/02/657349002.db2.gz AHNMEOJHQXLGAU-KGLIPLIRSA-N 1 0 383.290 1.314 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000934353117 657355010 /nfs/dbraw/zinc/35/50/10/657355010.db2.gz IKSZKFSSKSFGGJ-CQSZACIVSA-N 1 0 387.468 1.581 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000884433680 657355883 /nfs/dbraw/zinc/35/58/83/657355883.db2.gz POKUTDDNGVDTCA-BDAKNGLRSA-N 1 0 383.212 1.711 20 0 GDADRO CN(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000884438998 657357078 /nfs/dbraw/zinc/35/70/78/657357078.db2.gz PVWRNYIVOKBUBA-UONOGXRCSA-N 1 0 396.340 1.474 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)cs1)C(N)=O ZINC000884455465 657358692 /nfs/dbraw/zinc/35/86/92/657358692.db2.gz MBJOQAYZUCYCLT-YPMHNXCESA-N 1 0 384.571 1.936 20 0 GDADRO C[C@](CO)([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1cccc(Br)c1 ZINC000934493278 657362646 /nfs/dbraw/zinc/36/26/46/657362646.db2.gz BKUJSNZMKVYADT-MSOLQXFVSA-N 1 0 393.281 1.619 20 0 GDADRO COCCS(=O)(=O)CCC[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934497920 657364142 /nfs/dbraw/zinc/36/41/42/657364142.db2.gz SLBIOBJMBNAAOE-OAHLLOKOSA-N 1 0 394.331 1.698 20 0 GDADRO C[C@@](CO)([NH2+]C[C@@H](O)COC1CCOCC1)c1cccc(Br)c1 ZINC000934497991 657364691 /nfs/dbraw/zinc/36/46/91/657364691.db2.gz VCQOJFQOCYRMLJ-WBVHZDCISA-N 1 0 388.302 1.803 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884562554 657364593 /nfs/dbraw/zinc/36/45/93/657364593.db2.gz DLDFFYJFYPJOAG-BETUJISGSA-N 1 0 382.258 1.037 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccccc1Br ZINC000884621555 657367327 /nfs/dbraw/zinc/36/73/27/657367327.db2.gz LZIHUFDELQINKL-UPJWGTAASA-N 1 0 396.285 1.295 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)Cc1cccs1 ZINC000884620695 657367397 /nfs/dbraw/zinc/36/73/97/657367397.db2.gz IKRFUJZOMZMGGD-LOWVWBTDSA-N 1 0 377.432 1.639 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccccc1Br ZINC000884621554 657367437 /nfs/dbraw/zinc/36/74/37/657367437.db2.gz LZIHUFDELQINKL-RWMBFGLXSA-N 1 0 396.285 1.295 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000884669154 657370192 /nfs/dbraw/zinc/37/01/92/657370192.db2.gz NVHDUYJQEFTRFO-SMDDNHRTSA-N 1 0 382.302 1.791 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1ncc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000884683544 657370941 /nfs/dbraw/zinc/37/09/41/657370941.db2.gz HPJKPIWHBGCXAF-DTWKUNHWSA-N 1 0 375.292 1.026 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000884718038 657375046 /nfs/dbraw/zinc/37/50/46/657375046.db2.gz SYVKAIAUQTVBRD-SWLSCSKDSA-N 1 0 394.313 1.854 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1cccc(Br)c1 ZINC000884717897 657375128 /nfs/dbraw/zinc/37/51/28/657375128.db2.gz ONRLPHAWZWUKBU-GLQYFDAESA-N 1 0 398.301 1.510 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(Br)c1 ZINC000884720483 657375364 /nfs/dbraw/zinc/37/53/64/657375364.db2.gz NZHNMJNLKXNLRN-GLQYFDAESA-N 1 0 398.301 1.367 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1cccc(Br)c1 ZINC000884720482 657375413 /nfs/dbraw/zinc/37/54/13/657375413.db2.gz NZHNMJNLKXNLRN-DFBGVHRSSA-N 1 0 398.301 1.367 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000884724442 657375942 /nfs/dbraw/zinc/37/59/42/657375942.db2.gz TZSUUMXIHFVJEE-IUODEOHRSA-N 1 0 394.313 1.841 20 0 GDADRO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934779822 657375989 /nfs/dbraw/zinc/37/59/89/657375989.db2.gz VFPKILOLWMRUJN-KDOFPFPSSA-N 1 0 381.567 1.898 20 0 GDADRO OC[C@@H]([NH2+]C[C@H]1CCc2ncnn21)c1ccccc1I ZINC000934825091 657378910 /nfs/dbraw/zinc/37/89/10/657378910.db2.gz AVAQNBRLXQXBGG-ZWNOBZJWSA-N 1 0 384.221 1.693 20 0 GDADRO COC[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1cccc(Br)c1 ZINC000884790791 657379986 /nfs/dbraw/zinc/37/99/86/657379986.db2.gz NPWOMEXKOMGMNM-WKXXDYOBSA-N 1 0 396.285 1.121 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000884811091 657380281 /nfs/dbraw/zinc/38/02/81/657380281.db2.gz PHOPBHYZWLYKGI-WDEREUQCSA-N 1 0 378.782 1.627 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000885024239 657407307 /nfs/dbraw/zinc/40/73/07/657407307.db2.gz UZIWZBFLXVHWGA-HNNXBMFYSA-N 1 0 395.301 1.451 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000885096022 657418106 /nfs/dbraw/zinc/41/81/06/657418106.db2.gz DGWOLPGOGVQBTE-SFHVURJKSA-N 1 0 394.313 1.976 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000935369820 657427225 /nfs/dbraw/zinc/42/72/25/657427225.db2.gz YHYZNCONNABZDF-WDEREUQCSA-N 1 0 393.918 1.232 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CSCC(=O)N1)c1cccc(C(F)(F)F)c1 ZINC000935430330 657432453 /nfs/dbraw/zinc/43/24/53/657432453.db2.gz IHTWKHIBGZQXLP-STQMWFEESA-N 1 0 375.416 1.656 20 0 GDADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NCc2cscc2Cl)CC1 ZINC000885236068 657432416 /nfs/dbraw/zinc/43/24/16/657432416.db2.gz YGTBUZWERATIDH-HUUCEWRRSA-N 1 0 385.917 1.763 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000885240032 657432424 /nfs/dbraw/zinc/43/24/24/657432424.db2.gz IAQBGXOSPSFPAS-UHFFFAOYSA-N 1 0 396.207 1.891 20 0 GDADRO O=C(c1cc(=O)[nH]cc1Br)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000935841381 657498802 /nfs/dbraw/zinc/49/88/02/657498802.db2.gz WMRKODCEVJIUQL-LBPRGKRZSA-N 1 0 384.274 1.734 20 0 GDADRO O=C(NC[C@H]1CN2CCN1CCC2)c1ccccc1[S@](=O)C(F)(F)F ZINC000935843906 657499822 /nfs/dbraw/zinc/49/98/22/657499822.db2.gz XGNRMDTVCLWNLJ-VDBVYFBLSA-N 1 0 375.416 1.434 20 0 GDADRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cnc1Br ZINC000935973089 657532919 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385.917 1.433 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N2CCn3ncc(I)c3C2)CC[N@@H+]1C ZINC000886196898 657605354 /nfs/dbraw/zinc/60/53/54/657605354.db2.gz FVHFOKQHSBFSJT-CMPLNLGQSA-N 1 0 388.253 1.560 20 0 GDADRO COc1cc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc(I)c1OC ZINC000886256168 657630481 /nfs/dbraw/zinc/63/04/81/657630481.db2.gz ZYPQUMHXWXGOBN-YHPBZONMSA-N 1 0 393.221 1.282 20 0 GDADRO Cc1ccnc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)c1Br ZINC000886282731 657634878 /nfs/dbraw/zinc/63/48/78/657634878.db2.gz SIAAORXAZYGIJB-UHFFFAOYSA-N 1 0 377.246 1.226 20 0 GDADRO Cc1ccc(Br)c(F)c1C[NH2+]CCc1nnc2c(=O)n(C)ccn12 ZINC000886282657 657634954 /nfs/dbraw/zinc/63/49/54/657634954.db2.gz QMNKSNPOQINMIR-UHFFFAOYSA-N 1 0 394.248 1.970 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2csc(Cl)n2)C3)C1 ZINC001000372700 657670428 /nfs/dbraw/zinc/67/04/28/657670428.db2.gz SDNYDUJDQVCDBA-NMKXLXIOSA-N 1 0 382.917 2.000 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000886736609 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GDADRO Cc1nc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[nH]c1C ZINC000900999199 659178502 /nfs/dbraw/zinc/17/85/02/659178502.db2.gz YTPLQMJVQBBRBJ-UHFFFAOYSA-N 1 0 382.511 1.731 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000901071129 659186034 /nfs/dbraw/zinc/18/60/34/659186034.db2.gz YTLHDFBZQLTPEQ-UVWXRNBGSA-N 1 0 377.268 1.304 20 0 GDADRO CS[C@H]1CN(C(=O)Cc2sc(-c3ccn(C)n3)nc2C)C[C@@H]1[NH+](C)C ZINC000901228957 659204618 /nfs/dbraw/zinc/20/46/18/659204618.db2.gz IEXWSFRJELTPPB-ZFWWWQNUSA-N 1 0 379.555 1.899 20 0 GDADRO O=C(CN1CC[NH2+]CC1)NCc1cc(-c2ccc(Br)cc2)no1 ZINC000901389511 659213189 /nfs/dbraw/zinc/21/31/89/659213189.db2.gz DBCATWBNPQBFCT-UHFFFAOYSA-N 1 0 379.258 1.626 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NC(=O)NC(C)(C)C ZINC000901730356 659231808 /nfs/dbraw/zinc/23/18/08/659231808.db2.gz VVRZCSDQKYXFQV-NXEZZACHSA-N 1 0 386.294 1.563 20 0 GDADRO CCS(=O)(=O)NC1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000903005509 659288467 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20 0 GDADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCC1 ZINC000903548254 659337183 /nfs/dbraw/zinc/33/71/83/659337183.db2.gz YNCLZSDXWMOTHD-GJZGRUSLSA-N 1 0 378.560 1.125 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1ccc(Cl)cc1Cl)C2 ZINC000903551270 659338440 /nfs/dbraw/zinc/33/84/40/659338440.db2.gz CBCTXQNEPNJZPU-ISOBSLSZSA-N 1 0 393.292 1.894 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC2(C)C)c(OC)cc1Br ZINC000903554471 659339361 /nfs/dbraw/zinc/33/93/61/659339361.db2.gz RDJNTLRZNTWOAS-CYBMUJFWSA-N 1 0 393.303 1.743 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2C[NH2+]CC2(C)C)c1 ZINC000903554018 659339447 /nfs/dbraw/zinc/33/94/47/659339447.db2.gz HDHNBTADQXNMGN-LBPRGKRZSA-N 1 0 391.287 1.512 20 0 GDADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1ccccc1S(=O)(=O)C(F)F ZINC000903557326 659340225 /nfs/dbraw/zinc/34/02/25/659340225.db2.gz AAYUEXXYXPCFPD-UHFFFAOYSA-N 1 0 394.465 1.493 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000903564179 659342676 /nfs/dbraw/zinc/34/26/76/659342676.db2.gz SSBXOHFQVRBANP-KGYLQXTDSA-N 1 0 389.271 1.407 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)NCCN2CCC([NH3+])CC2)c1 ZINC000903565221 659342688 /nfs/dbraw/zinc/34/26/88/659342688.db2.gz GWBVGVBABZLOBI-UHFFFAOYSA-N 1 0 390.347 1.600 20 0 GDADRO COc1ccc(S(=O)(=O)NCCN2CCC([NH3+])CC2)c(Cl)c1Cl ZINC000903566017 659343539 /nfs/dbraw/zinc/34/35/39/659343539.db2.gz HFBITMIQWRJGTA-UHFFFAOYSA-N 1 0 382.313 1.703 20 0 GDADRO Cn1c(Cl)ncc1S(=O)(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903573742 659346111 /nfs/dbraw/zinc/34/61/11/659346111.db2.gz LONORGDTRXPQRU-BLLLJJGKSA-N 1 0 382.873 1.608 20 0 GDADRO O=C(CCN1CCCC[C@H]1c1ncc(Br)cn1)N1CC[NH2+]CC1 ZINC000903577101 659348101 /nfs/dbraw/zinc/34/81/01/659348101.db2.gz FGGQXWXECWQECI-AWEZNQCLSA-N 1 0 382.306 1.588 20 0 GDADRO COC(=O)Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903579375 659350109 /nfs/dbraw/zinc/35/01/09/659350109.db2.gz NVTJPFDMTULBRQ-CHWSQXEVSA-N 1 0 380.388 1.302 20 0 GDADRO Cc1c(C(=O)N(C)C)occ1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903579504 659350123 /nfs/dbraw/zinc/35/01/23/659350123.db2.gz OFAZOWBOWTVOPP-UWVGGRQHSA-N 1 0 383.392 1.190 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2cccnc2OCC(F)F)CC[C@H]1C(F)(F)F ZINC000903581243 659351879 /nfs/dbraw/zinc/35/18/79/659351879.db2.gz CHSHYBPGWOOBJH-BDAKNGLRSA-N 1 0 389.346 1.626 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903586242 659353961 /nfs/dbraw/zinc/35/39/61/659353961.db2.gz CXNMGAYLSRDWJK-JTQLQIEISA-N 1 0 388.291 1.158 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000903586015 659354074 /nfs/dbraw/zinc/35/40/74/659354074.db2.gz BXEKNGOJHLQVAR-GFCCVEGCSA-N 1 0 380.388 1.850 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000903586720 659354557 /nfs/dbraw/zinc/35/45/57/659354557.db2.gz VRRGCQHTEHZCTF-MFKMUULPSA-N 1 0 398.428 1.482 20 0 GDADRO Ic1cnnn1C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903764727 659379379 /nfs/dbraw/zinc/37/93/79/659379379.db2.gz AOSHBRNCMHAFGZ-LBPRGKRZSA-N 1 0 389.285 1.909 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)CC1 ZINC000903791204 659380531 /nfs/dbraw/zinc/38/05/31/659380531.db2.gz CPYYIJPCFYNAEX-UHFFFAOYSA-N 1 0 398.276 1.670 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)c1cccc(Br)c1 ZINC000903791650 659380844 /nfs/dbraw/zinc/38/08/44/659380844.db2.gz IXYHIZMYHJZDEC-KGLIPLIRSA-N 1 0 398.301 1.449 20 0 GDADRO O=C(C(=O)N1CCS[C@H](C(F)(F)F)C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903798566 659380991 /nfs/dbraw/zinc/38/09/91/659380991.db2.gz VCOJDQVLVGRCDY-AGIUHOORSA-N 1 0 379.448 1.341 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000903801000 659381480 /nfs/dbraw/zinc/38/14/80/659381480.db2.gz KYISMGDMLPKODG-CQSZACIVSA-N 1 0 395.301 1.847 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903802099 659381859 /nfs/dbraw/zinc/38/18/59/659381859.db2.gz SIOKJOCLAPLBHZ-DOMZBBRYSA-N 1 0 395.301 1.705 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C[C@H]1C[NH3+] ZINC000903802822 659381892 /nfs/dbraw/zinc/38/18/92/659381892.db2.gz XZBNGWOPEVQSGK-UXIGCNINSA-N 1 0 395.301 1.561 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903803299 659382279 /nfs/dbraw/zinc/38/22/79/659382279.db2.gz ZVNBBIKKDOGCHB-KBPBESRZSA-N 1 0 381.274 1.457 20 0 GDADRO COC[C@H]1C[NH2+]CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000903880111 659387752 /nfs/dbraw/zinc/38/77/52/659387752.db2.gz CQPJGGFFFMHMSB-OAHLLOKOSA-N 1 0 381.523 1.634 20 0 GDADRO CCOc1c(Cl)cc(C[NH2+]CC[C@H]2CNCCS2(=O)=O)cc1OC ZINC000903968822 659390979 /nfs/dbraw/zinc/39/09/79/659390979.db2.gz OQCFCRGOGCVWMW-ZDUSSCGKSA-N 1 0 376.906 1.614 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CNCCS2(=O)=O)C1 ZINC000903970145 659391225 /nfs/dbraw/zinc/39/12/25/659391225.db2.gz QWWOXSBEMCEBLC-RDBSUJKOSA-N 1 0 382.473 1.110 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903969856 659391296 /nfs/dbraw/zinc/39/12/96/659391296.db2.gz MHQDKIBYWIMEOP-SWLSCSKDSA-N 1 0 375.332 1.746 20 0 GDADRO COc1cc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000903982903 659391944 /nfs/dbraw/zinc/39/19/44/659391944.db2.gz ZFNDEYJSKJJETB-MWLCHTKSSA-N 1 0 381.782 1.534 20 0 GDADRO CO[C@@H](C[NH3+])c1nc(-c2cccn3c(I)cnc23)no1 ZINC000904112334 659395673 /nfs/dbraw/zinc/39/56/73/659395673.db2.gz DASYKLMPBIZIRT-QMMMGPOBSA-N 1 0 385.165 1.635 20 0 GDADRO COCCOc1ccc(NC(=O)N(C)C[C@H](O)C[NH3+])cc1Br ZINC000904551952 659403791 /nfs/dbraw/zinc/40/37/91/659403791.db2.gz PUORPGZYUKENAJ-LLVKDONJSA-N 1 0 376.251 1.258 20 0 GDADRO COCCOc1ccc(NC(=O)N(C)C[C@@H](O)C[NH3+])cc1Br ZINC000904551953 659403883 /nfs/dbraw/zinc/40/38/83/659403883.db2.gz PUORPGZYUKENAJ-NSHDSACASA-N 1 0 376.251 1.258 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)N1CCc2cc(Cl)cc(Br)c2C1 ZINC000904991394 659415908 /nfs/dbraw/zinc/41/59/08/659415908.db2.gz VCCPYZQNVJXKBK-UHFFFAOYSA-N 1 0 388.693 1.794 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000904986117 659415914 /nfs/dbraw/zinc/41/59/14/659415914.db2.gz GQEIZMYIAUTTQZ-OAHLLOKOSA-N 1 0 398.301 1.244 20 0 GDADRO C[C@](O)(C[NH2+]CC1(NS(C)(=O)=O)CCCCC1)C(F)(F)C(F)(F)F ZINC000905030668 659418349 /nfs/dbraw/zinc/41/83/49/659418349.db2.gz HWACVSWXACOTMS-JTQLQIEISA-N 1 0 382.395 1.777 20 0 GDADRO CC[C@@](O)(C[NH2+]Cc1ccc(S(=O)(=O)NCCOC)cc1)C(F)(F)F ZINC000905049691 659419235 /nfs/dbraw/zinc/41/92/35/659419235.db2.gz LBYGQVDABSJNAJ-CQSZACIVSA-N 1 0 384.420 1.404 20 0 GDADRO COc1cc(C[NH2+]C[C@@H](O)C2(O)CCOCC2)cc(Br)c1OC ZINC000905082663 659421194 /nfs/dbraw/zinc/42/11/94/659421194.db2.gz SMJANICJTRJMSO-CQSZACIVSA-N 1 0 390.274 1.458 20 0 GDADRO O=C(NCC[NH2+]C[C@@H](O)CC1(O)CCCC1)c1cccc(Br)c1 ZINC000905084012 659421276 /nfs/dbraw/zinc/42/12/76/659421276.db2.gz YRXAIOQZSNWISO-HNNXBMFYSA-N 1 0 385.302 1.825 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)C[C@]1(O)CCOC1 ZINC000905094787 659422681 /nfs/dbraw/zinc/42/26/81/659422681.db2.gz BLJRTRIONFEDQI-HYVNUMGLSA-N 1 0 385.302 1.520 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]C[C@@H](O)CC2(O)CCCC2)CC1)C(F)(F)F ZINC000905109593 659424873 /nfs/dbraw/zinc/42/48/73/659424873.db2.gz KYTQNLSRPAFUKS-ZDUSSCGKSA-N 1 0 388.452 1.194 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CC2(CO)CCCC2)c(C)s1 ZINC000905177828 659429703 /nfs/dbraw/zinc/42/97/03/659429703.db2.gz RUNDVCFCSFNHCV-HNNXBMFYSA-N 1 0 390.571 1.537 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)C1(O)CCOCC1 ZINC000905236028 659435380 /nfs/dbraw/zinc/43/53/80/659435380.db2.gz DEBMKSYWILQYBP-GDBMZVCRSA-N 1 0 385.302 1.520 20 0 GDADRO COc1ccc(Cl)cc1N1CC[C@@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905339344 659443994 /nfs/dbraw/zinc/44/39/94/659443994.db2.gz GRILDJUVGIHYRI-OAHLLOKOSA-N 1 0 387.933 1.846 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCCC3)s1 ZINC000905354890 659446143 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GDADRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@@H](O)C2(O)CCC2)cc1Br ZINC000905371277 659449069 /nfs/dbraw/zinc/44/90/69/659449069.db2.gz IOLVLWSBSLGTMG-CZUORRHYSA-N 1 0 388.302 1.474 20 0 GDADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000905474232 659455979 /nfs/dbraw/zinc/45/59/79/659455979.db2.gz RZZVNFUDYVMMRN-BIGNPOOSSA-N 1 0 380.279 1.818 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000905478243 659457146 /nfs/dbraw/zinc/45/71/46/659457146.db2.gz MGYBHOPMDOUEPQ-ZDUSSCGKSA-N 1 0 397.324 1.747 20 0 GDADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]C[C@]2(OC)CCSC2)CC1 ZINC000905547434 659463809 /nfs/dbraw/zinc/46/38/09/659463809.db2.gz WXJLLGYXEPDDPS-XPJGSDBHSA-N 1 0 375.531 1.334 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CCS(=O)(=O)C1 ZINC000905555790 659464381 /nfs/dbraw/zinc/46/43/81/659464381.db2.gz GGGTXSXJFCTXTL-DZGCQCFKSA-N 1 0 398.308 1.526 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000905557002 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1 0 399.264 1.810 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000908601297 659926718 /nfs/dbraw/zinc/92/67/18/659926718.db2.gz GHOZXVYLFLXGIT-UHFFFAOYSA-N 1 0 396.289 1.457 20 0 GDADRO CN(C)c1cc(NC(=O)c2ccnn2CC[NH+](C)C)ncc1Br ZINC000909267742 659944423 /nfs/dbraw/zinc/94/44/23/659944423.db2.gz SCGGPTMHMRRFBC-UHFFFAOYSA-N 1 0 381.278 1.921 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)ccc2-n2cnnn2)[C@H](C)C1 ZINC000910266818 659967004 /nfs/dbraw/zinc/96/70/04/659967004.db2.gz OJWNNDPVJXPKQF-GFCCVEGCSA-N 1 0 393.289 1.981 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000910782601 659984452 /nfs/dbraw/zinc/98/44/52/659984452.db2.gz VIUTVXVRNGJABM-ZDUSSCGKSA-N 1 0 398.326 1.942 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)c1ccc(Br)cn1 ZINC000910977255 659990004 /nfs/dbraw/zinc/99/00/04/659990004.db2.gz QBWFWHLSCNSVHF-DGCLKSJQSA-N 1 0 383.290 1.670 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)c1ccc(Br)cn1 ZINC000910977341 659990012 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GDADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911291054 660002069 /nfs/dbraw/zinc/00/20/69/660002069.db2.gz ITFUKAAESNKHPO-LSDHHAIUSA-N 1 0 395.301 1.766 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000911299515 660002404 /nfs/dbraw/zinc/00/24/04/660002404.db2.gz YUMHUGDJZYRNAL-HNNXBMFYSA-N 1 0 398.301 1.708 20 0 GDADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3nscc3I)[C@@H]2C1 ZINC000911302360 660002525 /nfs/dbraw/zinc/00/25/25/660002525.db2.gz LQHZRBWYLYEASC-WCBMZHEXSA-N 1 0 377.251 1.914 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000911347423 660004281 /nfs/dbraw/zinc/00/42/81/660004281.db2.gz WZAZQJQGQVQSHX-CQSZACIVSA-N 1 0 396.285 1.475 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Br ZINC000911361146 660005180 /nfs/dbraw/zinc/00/51/80/660005180.db2.gz UJITXGBAMWNIQC-UONOGXRCSA-N 1 0 380.286 1.442 20 0 GDADRO O=C(NCCc1sccc1Br)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911365505 660005494 /nfs/dbraw/zinc/00/54/94/660005494.db2.gz LINUDDVSABORJT-NSHDSACASA-N 1 0 388.331 1.818 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC000911368364 660005659 /nfs/dbraw/zinc/00/56/59/660005659.db2.gz YHFYRELRGZNCHC-YMTOWFKASA-N 1 0 384.249 1.197 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000911418910 660006657 /nfs/dbraw/zinc/00/66/57/660006657.db2.gz AMKJCMSONOFBFJ-CMPLNLGQSA-N 1 0 384.274 1.270 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911484160 660008553 /nfs/dbraw/zinc/00/85/53/660008553.db2.gz CZDJTYVFHJJLBG-DOMZBBRYSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506025 660009161 /nfs/dbraw/zinc/00/91/61/660009161.db2.gz JTNURQBVBFBOCY-YPMHNXCESA-N 1 0 380.286 1.761 20 0 GDADRO CCCN(C(=O)c1cn(C)nc1I)[C@H]1CC[N@H+](C)C1 ZINC000911510662 660009315 /nfs/dbraw/zinc/00/93/15/660009315.db2.gz AVOQWNCLHIBIBT-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000911562460 660010696 /nfs/dbraw/zinc/01/06/96/660010696.db2.gz DCCCMHWJEZMUPN-OTCDBFHCSA-N 1 0 384.249 1.326 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)CC2 ZINC000911568421 660011147 /nfs/dbraw/zinc/01/11/47/660011147.db2.gz SUMNXIBIGKXZAS-YEORSEQZSA-N 1 0 380.286 1.496 20 0 GDADRO CCOc1ccc(Br)c(C(=O)NCC(=O)N2CC[NH2+]CC2)c1F ZINC000911702524 660017136 /nfs/dbraw/zinc/01/71/36/660017136.db2.gz MJIOQPIHAHAJSU-UHFFFAOYSA-N 1 0 388.237 1.149 20 0 GDADRO COCCN(CCOC)C1CN(C(=O)c2sc(Br)nc2C)C1 ZINC000911859880 660019691 /nfs/dbraw/zinc/01/96/91/660019691.db2.gz PLLDOXMCXPZLFX-UHFFFAOYSA-N 1 0 392.319 1.633 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)[C@@H](N)c1ccccc1I ZINC000911869195 660019860 /nfs/dbraw/zinc/01/98/60/660019860.db2.gz ZKDQWSJQLZBZPY-LBPRGKRZSA-N 1 0 375.254 1.734 20 0 GDADRO C[C@@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccc(I)cc1 ZINC000911879892 660019990 /nfs/dbraw/zinc/01/99/90/660019990.db2.gz QLSDPABPEKECAG-BXUZGUMPSA-N 1 0 387.265 1.496 20 0 GDADRO CN1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)[C@H](C[NH3+])C1 ZINC000911880289 660020044 /nfs/dbraw/zinc/02/00/44/660020044.db2.gz SXVBYMFPVCEKPW-GFCCVEGCSA-N 1 0 380.242 1.270 20 0 GDADRO C[NH+]1CCC(N(CCO)C(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000911940162 660021864 /nfs/dbraw/zinc/02/18/64/660021864.db2.gz HUESXKUEGDKWBV-OAHLLOKOSA-N 1 0 383.286 1.840 20 0 GDADRO CSCC[C@H]([NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000911984681 660023360 /nfs/dbraw/zinc/02/33/60/660023360.db2.gz XIIAJFOHPVSITG-AWEZNQCLSA-N 1 0 389.518 1.129 20 0 GDADRO Cc1ccc(OCCNC(=O)c2cc(Br)cn(CC[NH3+])c2=O)cc1 ZINC000912001849 660023764 /nfs/dbraw/zinc/02/37/64/660023764.db2.gz HRNFVZYJBWIRPG-UHFFFAOYSA-N 1 0 394.269 1.687 20 0 GDADRO CN(Cc1ccc(Cl)cc1Cl)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC000912016657 660024314 /nfs/dbraw/zinc/02/43/14/660024314.db2.gz MBVAQTHEOXUANS-KYOSRNDESA-N 1 0 391.320 1.975 20 0 GDADRO COc1cc(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@@H]23)c(OC)cc1Cl ZINC000912027578 660024370 /nfs/dbraw/zinc/02/43/70/660024370.db2.gz YPVBBKOXSZYPJN-HFBDOXOYSA-N 1 0 388.873 1.318 20 0 GDADRO CC(C)(C[NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000912039218 660024956 /nfs/dbraw/zinc/02/49/56/660024956.db2.gz AHHFAUHQHITEHN-UHFFFAOYSA-N 1 0 379.935 1.609 20 0 GDADRO O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000912040173 660025008 /nfs/dbraw/zinc/02/50/08/660025008.db2.gz JXHWJGBCODQKGY-SUNKGSAMSA-N 1 0 389.930 1.090 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000912041123 660025106 /nfs/dbraw/zinc/02/51/06/660025106.db2.gz UUMZOFFVMIOEFY-QGZVFWFLSA-N 1 0 398.301 1.659 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000912041122 660025135 /nfs/dbraw/zinc/02/51/35/660025135.db2.gz UUMZOFFVMIOEFY-KRWDZBQOSA-N 1 0 398.301 1.659 20 0 GDADRO C[C@](CO)(NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000912173981 660028913 /nfs/dbraw/zinc/02/89/13/660028913.db2.gz MAFJMOOFGZXHRZ-NVXWUHKLSA-N 1 0 383.286 1.494 20 0 GDADRO C[C@]1(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[NH+]2CCC1CC2 ZINC000912378797 660034322 /nfs/dbraw/zinc/03/43/22/660034322.db2.gz KKIKBZFQGSQXKI-AWEZNQCLSA-N 1 0 377.919 1.280 20 0 GDADRO C[C@@]1(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)C[NH+]2CCC1CC2 ZINC000912383364 660034686 /nfs/dbraw/zinc/03/46/86/660034686.db2.gz QIDGWHGLRZNXPN-QGZVFWFLSA-N 1 0 385.917 1.609 20 0 GDADRO COCc1ccccc1NC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912405152 660036065 /nfs/dbraw/zinc/03/60/65/660036065.db2.gz ZFENUNWSUMFYPA-UHFFFAOYSA-N 1 0 380.242 1.968 20 0 GDADRO Cc1nc(C(=O)N(C)CC[N@H+](C)CCO)nn1-c1c(Cl)cccc1Cl ZINC000912607643 660044788 /nfs/dbraw/zinc/04/47/88/660044788.db2.gz YQAAPPJUARYWMY-UHFFFAOYSA-N 1 0 386.283 1.879 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nc(Br)c(Br)n2)C1 ZINC000912683076 660049166 /nfs/dbraw/zinc/04/91/66/660049166.db2.gz FPJNEVXSGSKCTK-MRVPVSSYSA-N 1 0 395.099 1.404 20 0 GDADRO C[NH+]1C[C@@]2(C)CN(C(=O)CNC(=O)c3cccc(Br)c3)C[C@]2(C)C1 ZINC000913294272 660075292 /nfs/dbraw/zinc/07/52/92/660075292.db2.gz KAJGTTVNTOSERZ-ROUUACIJSA-N 1 0 394.313 1.979 20 0 GDADRO C[NH+](C)C1(C)CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1 ZINC000913399819 660078276 /nfs/dbraw/zinc/07/82/76/660078276.db2.gz KDKPJPYDSLLSPT-UHFFFAOYSA-N 1 0 380.539 1.932 20 0 GDADRO O=C(Cc1cnc[nH]1)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000913424272 660078827 /nfs/dbraw/zinc/07/88/27/660078827.db2.gz TUJDWSYVAJTANM-UHFFFAOYSA-N 1 0 377.242 1.586 20 0 GDADRO CN1CCN(C(=O)c2ccc(I)cc2F)C[C@@H]1CO ZINC000913542274 660085577 /nfs/dbraw/zinc/08/55/77/660085577.db2.gz GNMDHCDKHROMQU-SNVBAGLBSA-N 1 0 378.185 1.179 20 0 GDADRO C[C@@H](C(=O)NC12CC[NH+](CC1)C2)N1C(=O)c2ccc(Br)cc2C1=O ZINC000913626692 660090008 /nfs/dbraw/zinc/09/00/08/660090008.db2.gz DGVOADXFAYQBOK-JTQLQIEISA-N 1 0 392.253 1.398 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC34CC[NH+](CC3)C4)C2)s1 ZINC000913627072 660090178 /nfs/dbraw/zinc/09/01/78/660090178.db2.gz SUKRJJVVODJDKQ-AWEZNQCLSA-N 1 0 383.539 1.422 20 0 GDADRO O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000913628273 660090300 /nfs/dbraw/zinc/09/03/00/660090300.db2.gz ALAKHJOWSYPSRF-AWEZNQCLSA-N 1 0 378.270 1.766 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C1 ZINC000913767973 660096366 /nfs/dbraw/zinc/09/63/66/660096366.db2.gz UGPKVHLOSODSTN-IXDOHACOSA-N 1 0 378.314 1.697 20 0 GDADRO CN(C)[C@H]1CCN(S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914058352 660112964 /nfs/dbraw/zinc/11/29/64/660112964.db2.gz STOULCMDOWPNMR-RULNZOCKSA-N 1 0 385.433 1.914 20 0 GDADRO C[N@H+](CCO)C1CCN(S(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000914072829 660114112 /nfs/dbraw/zinc/11/41/12/660114112.db2.gz YRQFZZHOOHFYOG-UHFFFAOYSA-N 1 0 381.523 1.887 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cnc(-c2ccccc2)s1)N1CC[NH+](C)CC1 ZINC000914172673 660122967 /nfs/dbraw/zinc/12/29/67/660122967.db2.gz PHCGDLVAYIRPRO-AWEZNQCLSA-N 1 0 380.539 1.724 20 0 GDADRO CN(Cc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914172921 660123221 /nfs/dbraw/zinc/12/32/21/660123221.db2.gz XSIQGKXIUSRFFQ-KRWDZBQOSA-N 1 0 386.539 1.338 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000914185192 660124918 /nfs/dbraw/zinc/12/49/18/660124918.db2.gz YHQCXXVAKUGZRC-QLFBSQMISA-N 1 0 375.535 1.788 20 0 GDADRO C[C@@H]1C[C@H](NS(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000914185191 660124954 /nfs/dbraw/zinc/12/49/54/660124954.db2.gz YHQCXXVAKUGZRC-KFWWJZLASA-N 1 0 375.535 1.788 20 0 GDADRO COc1c(F)cc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1F ZINC000914187928 660125156 /nfs/dbraw/zinc/12/51/56/660125156.db2.gz SVAMVWQTWONTDL-GFCCVEGCSA-N 1 0 377.457 1.135 20 0 GDADRO CN(CCCC[NH+](C)C)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000914225294 660129089 /nfs/dbraw/zinc/12/90/89/660129089.db2.gz HMVSNXLAPVGZSK-UHFFFAOYSA-N 1 0 378.539 1.058 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000914385169 660145029 /nfs/dbraw/zinc/14/50/29/660145029.db2.gz RIZLTYCCLDVYGD-UHFFFAOYSA-N 1 0 399.738 1.836 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccnn2CC2CCC2)C[C@@H]1[NH+]1CCCC1 ZINC000914391094 660145729 /nfs/dbraw/zinc/14/57/29/660145729.db2.gz QKDPGFMNNCCIOZ-HOTGVXAUSA-N 1 0 384.571 1.884 20 0 GDADRO COc1ncc(S(=O)(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000915053565 660159860 /nfs/dbraw/zinc/15/98/60/660159860.db2.gz VDBAIZRYRVOLKG-CQSZACIVSA-N 1 0 382.511 1.689 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)N=[S@](=O)(c3ccccc3)C(F)(F)F)C[C@@H]2C1 ZINC000915052927 660159896 /nfs/dbraw/zinc/15/98/96/660159896.db2.gz GMLVWIPSBXLGGD-ZBWQRKBMSA-N 1 0 397.444 1.772 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)Cc3ccc(F)cc3Br)C[C@@H]2C1 ZINC000915052916 660159905 /nfs/dbraw/zinc/15/99/05/660159905.db2.gz FVMACCZHWDZESI-TXEJJXNPSA-N 1 0 377.279 1.911 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000398925712 677678471 /nfs/dbraw/zinc/67/84/71/677678471.db2.gz 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FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164424275 718916519 /nfs/dbraw/zinc/91/65/19/718916519.db2.gz MKDXKPYDUJNNLL-AWEZNQCLSA-N 1 0 388.806 1.088 20 0 GDADRO COc1cc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)nc(Cl)n1 ZINC001164425788 718919219 /nfs/dbraw/zinc/91/92/19/718919219.db2.gz VAGYMTYNHFHGPA-CQSZACIVSA-N 1 0 378.807 1.269 20 0 GDADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(OCCOC)nn3)CC2)CC1 ZINC001164618592 719032931 /nfs/dbraw/zinc/03/29/31/719032931.db2.gz VAOFGGJDWOKCHJ-UHFFFAOYSA-N 1 0 392.500 1.746 20 0 GDADRO COCCN1CCN(C)C2(CCN(c3cc(N4CCCC4)cc[nH+]3)CC2)C1=O ZINC001164641208 719277453 /nfs/dbraw/zinc/27/74/53/719277453.db2.gz UKTKCMVIEYQQRE-UHFFFAOYSA-N 1 0 387.528 1.441 20 0 GDADRO C[N@@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)ncn3)C[C@H]21 ZINC001164671521 719452298 /nfs/dbraw/zinc/45/22/98/719452298.db2.gz PYUVZGSZSDUIIR-MOPGFXCFSA-N 1 0 398.486 1.462 20 0 GDADRO CCOC(=O)c1cnc(OC)nc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683519 719619250 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HYQZNNOQUSHLKI-LBPRGKRZSA-N 1 0 387.469 1.927 20 0 GDADRO CC1(C)CO[C@@H](C[NH2+]C[C@@H]2CCCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571281846 945816323 /nfs/dbraw/zinc/81/63/23/945816323.db2.gz PAICEBKQNNJRIK-LSDHHAIUSA-N 1 0 387.488 1.594 20 0 GDADRO CC1(C)CO[C@H](C[NH2+][C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2(C)C)C1 ZINC001571281983 945822770 /nfs/dbraw/zinc/82/27/70/945822770.db2.gz QOAWBONRMNLIOW-SWLSCSKDSA-N 1 0 387.488 1.450 20 0 GDADRO O=C(c1ccsn1)N1CCC[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571282038 945828002 /nfs/dbraw/zinc/82/80/02/945828002.db2.gz CJWSARFDQWFEKO-ZDUSSCGKSA-N 1 0 387.444 1.857 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000821700055 945831902 /nfs/dbraw/zinc/83/19/02/945831902.db2.gz BOFCJBBQDGBSAG-LSDHHAIUSA-N 1 0 386.456 1.197 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1cscn1 ZINC001571282332 945838352 /nfs/dbraw/zinc/83/83/52/945838352.db2.gz HKDQFPKIRJKTPH-UHFFFAOYSA-N 1 0 387.444 1.761 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1nccs1 ZINC001571282534 945848851 /nfs/dbraw/zinc/84/88/51/945848851.db2.gz JQZBXMKLRNALMG-GFCCVEGCSA-N 1 0 387.444 1.714 20 0 GDADRO C[N@H+](CC[C@@H]1CCCCO1)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571283726 945891626 /nfs/dbraw/zinc/89/16/26/945891626.db2.gz IMFXDOARHZTFIQ-INIZCTEOSA-N 1 0 387.488 1.690 20 0 GDADRO CO[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001571283907 945892394 /nfs/dbraw/zinc/89/23/94/945892394.db2.gz KPTDDBAORCJKFC-LIRRHRJNSA-N 1 0 387.488 1.548 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(Cl)no2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571284875 945904869 /nfs/dbraw/zinc/90/48/69/945904869.db2.gz VMHNDXMCHCHUHH-GWCFXTLKSA-N 1 0 387.831 1.758 20 0 GDADRO O=C(NCC1C[NH+](CCOC2CCCCCC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571284866 945904908 /nfs/dbraw/zinc/90/49/08/945904908.db2.gz VIMVBASCTYFIJU-UHFFFAOYSA-N 1 0 387.488 1.596 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)[C@H]1CCC1(F)F ZINC001571286553 945950001 /nfs/dbraw/zinc/95/00/01/945950001.db2.gz KPZROIPNEOJOSH-LVQVYYBASA-N 1 0 388.422 1.706 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCCOC1 ZINC001571287799 945978361 /nfs/dbraw/zinc/97/83/61/945978361.db2.gz IFRKPWKXLDANPB-KUHUBIRLSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(CC1CCOCC1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287875 945981355 /nfs/dbraw/zinc/98/13/55/945981355.db2.gz KDPPEMAWCWNDDO-MRXNPFEDSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(C[C@@H]1CCCCO1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571288261 945985990 /nfs/dbraw/zinc/98/59/90/945985990.db2.gz NDQVQTQEKBZOHV-CVEARBPZSA-N 1 0 388.447 1.656 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@@H]1CCCOC1 ZINC001571288294 945986094 /nfs/dbraw/zinc/98/60/94/945986094.db2.gz NNKLDHCVIVBSIC-SHARSMKWSA-N 1 0 388.447 1.417 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCCCO1 ZINC001571288778 945993479 /nfs/dbraw/zinc/99/34/79/945993479.db2.gz TYPJIWWUAMYXMV-WMLDXEAASA-N 1 0 388.447 1.656 20 0 GDADRO C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571288906 945993653 /nfs/dbraw/zinc/99/36/53/945993653.db2.gz UIMRUQFFDLNCIS-GVAFMPQTSA-N 1 0 388.447 1.415 20 0 GDADRO COc1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)sn1 ZINC001571289557 946010616 /nfs/dbraw/zinc/01/06/16/946010616.db2.gz HMAXJEYJGICKAG-KOLCDFICSA-N 1 0 388.457 1.053 20 0 GDADRO COc1cc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)sn1 ZINC001571289842 946021060 /nfs/dbraw/zinc/02/10/60/946021060.db2.gz NSVAAXCRYQGKFV-SNVBAGLBSA-N 1 0 388.457 1.054 20 0 GDADRO CCN(C(=O)C1=CCOCC1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289952 946022752 /nfs/dbraw/zinc/02/27/52/946022752.db2.gz QNAVUSXIUXNEEU-CQSZACIVSA-N 1 0 388.497 1.698 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001571290006 946025373 /nfs/dbraw/zinc/02/53/73/946025373.db2.gz SIFXCSYJFOSUNZ-UHOFOFEASA-N 1 0 388.472 1.888 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001571290004 946026742 /nfs/dbraw/zinc/02/67/42/946026742.db2.gz SIFXCSYJFOSUNZ-DAXOMENPSA-N 1 0 388.472 1.888 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)c3cc(Cl)no3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571290760 946052320 /nfs/dbraw/zinc/05/23/20/946052320.db2.gz OCOWOVMNDHJYOZ-SNVBAGLBSA-N 1 0 388.819 1.610 20 0 GDADRO O=C(Cc1ccccc1)N[C@@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001571294113 946125890 /nfs/dbraw/zinc/12/58/90/946125890.db2.gz AXRZZNMDXSAHCK-GOSISDBHSA-N 1 0 389.463 1.980 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573478523 946147329 /nfs/dbraw/zinc/14/73/29/946147329.db2.gz XBSCWGKKLSTPEO-LRDDRELGSA-N 1 0 387.488 1.012 20 0 GDADRO CC(C)[C@H](F)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571298080 946206875 /nfs/dbraw/zinc/20/68/75/946206875.db2.gz JDMAFKJDWRNFRG-WBVHZDCISA-N 1 0 390.463 1.568 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]3CN(c4cc(C)[nH+]cc4-c4nn[nH]n4)C[C@H]32)ccn1 ZINC001571298188 946208422 /nfs/dbraw/zinc/20/84/22/946208422.db2.gz BRKVEMJQAZASKF-MAUKXSAKSA-N 1 0 390.451 1.624 20 0 GDADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1)c1ccnnc1 ZINC001571298303 946214399 /nfs/dbraw/zinc/21/43/99/946214399.db2.gz MZKCSBIRGNTFPU-AYHJJNSGSA-N 1 0 390.451 1.582 20 0 GDADRO O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1=COCCO1 ZINC001571298435 946215555 /nfs/dbraw/zinc/21/55/55/946215555.db2.gz NUCMGAXZMNJUQK-RYUDHWBXSA-N 1 0 390.469 1.333 20 0 GDADRO CC[C@@H](OC)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2 ZINC001571298998 946235169 /nfs/dbraw/zinc/23/51/69/946235169.db2.gz GTCOKOKFUFCNCK-CQSZACIVSA-N 1 0 390.513 1.778 20 0 GDADRO O=C([C@@H]1C[C@H]1c1cccnc1)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571299688 946258652 /nfs/dbraw/zinc/25/86/52/946258652.db2.gz ZBIMUDYSEAJOJY-HRCADAONSA-N 1 0 390.451 1.285 20 0 GDADRO C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571299696 946258856 /nfs/dbraw/zinc/25/88/56/946258856.db2.gz OQRIUVWYDQKOAX-GXTWGEPZSA-N 1 0 390.513 1.824 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1C ZINC001571299686 946260421 /nfs/dbraw/zinc/26/04/21/946260421.db2.gz ZBDKYVOSCVYDPN-IUODEOHRSA-N 1 0 390.463 1.808 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CC[C@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571299932 946268163 /nfs/dbraw/zinc/26/81/63/946268163.db2.gz RJMVYXJTJZJILG-GFCCVEGCSA-N 1 0 390.879 1.271 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)cnn1 ZINC001571300041 946269324 /nfs/dbraw/zinc/26/93/24/946269324.db2.gz YZSXXCPGNVORTK-NNZMDNLPSA-N 1 0 390.451 1.073 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001571300077 946272529 /nfs/dbraw/zinc/27/25/29/946272529.db2.gz TYFVKZZEONQVEB-UGSOOPFHSA-N 1 0 390.513 1.778 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCO1 ZINC001571300270 946277932 /nfs/dbraw/zinc/27/79/32/946277932.db2.gz YGRCCEMDPIOXSD-XUXIUFHCSA-N 1 0 390.513 1.728 20 0 GDADRO CC(C)(C(=O)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1)C(F)F ZINC001571302201 946295674 /nfs/dbraw/zinc/29/56/74/946295674.db2.gz REQVDEUWIZQEFJ-GOSISDBHSA-N 1 0 391.426 1.982 20 0 GDADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823155648 946332724 /nfs/dbraw/zinc/33/27/24/946332724.db2.gz VVMURZSJSYLSBZ-LLVKDONJSA-N 1 0 391.863 1.146 20 0 GDADRO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC2(CCOCC2)C1 ZINC001573497023 946336161 /nfs/dbraw/zinc/33/61/61/946336161.db2.gz IVNBMNLXIMYNDQ-INIZCTEOSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(N[C@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571306336 946397052 /nfs/dbraw/zinc/39/70/52/946397052.db2.gz SUGHMGAHKKFHTL-KSSFIOAISA-N 1 0 391.479 1.804 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571308547 946433508 /nfs/dbraw/zinc/43/35/08/946433508.db2.gz QPLMIPHFQOBQOV-UGSOOPFHSA-N 1 0 392.410 1.167 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)CCc2cncnc2)C1 ZINC001571313230 946514670 /nfs/dbraw/zinc/51/46/70/946514670.db2.gz KLBMRSQPZPYZTM-SFHVURJKSA-N 1 0 392.467 1.322 20 0 GDADRO CN(C)c1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571313481 946522107 /nfs/dbraw/zinc/52/21/07/946522107.db2.gz PZFRCJUSVVCZCY-HNNXBMFYSA-N 1 0 392.467 1.332 20 0 GDADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823972495 946530470 /nfs/dbraw/zinc/53/04/70/946530470.db2.gz CBZWGTJNXDKVJT-MAUKXSAKSA-N 1 0 397.483 1.162 20 0 GDADRO CN(C)c1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)ccn1 ZINC001571313908 946537157 /nfs/dbraw/zinc/53/71/57/946537157.db2.gz XUHOAKJNAQZBGY-IYBDPMFKSA-N 1 0 392.467 1.378 20 0 GDADRO Cc1c[nH]nc1C(=O)NC1CC2(C1)CC([NH2+]Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001571315827 946561251 /nfs/dbraw/zinc/56/12/51/946561251.db2.gz OZECLZMFMDLGKL-UHFFFAOYSA-N 1 0 392.467 1.729 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC23CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC3)c(C)[nH]1 ZINC001571316111 946566343 /nfs/dbraw/zinc/56/63/43/946566343.db2.gz UJYPAEUSOZQAMU-KRWDZBQOSA-N 1 0 392.467 1.996 20 0 GDADRO Cc1ccc(CC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C)cn1 ZINC001571316197 946569401 /nfs/dbraw/zinc/56/94/01/946569401.db2.gz WANWKQNXSKIAND-ZBFHGGJFSA-N 1 0 392.467 1.421 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C23CCC3)n1C ZINC001571316251 946571379 /nfs/dbraw/zinc/57/13/79/946571379.db2.gz XNHXSDUIBZIIOH-DLBZAZTESA-N 1 0 392.467 1.484 20 0 GDADRO O=C(Cc1ncc[nH]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571316648 946585039 /nfs/dbraw/zinc/58/50/39/946585039.db2.gz JFLRTGFQQHVRDY-IAGOWNOFSA-N 1 0 392.467 1.398 20 0 GDADRO Cn1nc2c(c1C(=O)N1CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C1)CCC2 ZINC001571317011 946594855 /nfs/dbraw/zinc/59/48/55/946594855.db2.gz RWSYLCXOKJSOLA-HNNXBMFYSA-N 1 0 392.467 1.093 20 0 GDADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C1)c1ccn[nH]1 ZINC001571317092 946599632 /nfs/dbraw/zinc/59/96/32/946599632.db2.gz VEESNXKURLXJMJ-GVDBMIGSSA-N 1 0 392.467 1.620 20 0 GDADRO Cc1nnccc1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317117 946602382 /nfs/dbraw/zinc/60/23/82/946602382.db2.gz VQCWJEYSUJPXPV-QGZVFWFLSA-N 1 0 392.467 1.702 20 0 GDADRO O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571317698 946618446 /nfs/dbraw/zinc/61/84/46/946618446.db2.gz RKWYFDAWEKWHMO-IAGOWNOFSA-N 1 0 392.467 1.428 20 0 GDADRO CC(=O)Nc1cccc(C[N@H+](C)CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001573547038 946827122 /nfs/dbraw/zinc/82/71/22/946827122.db2.gz UXNYLIXMDODKDU-UHFFFAOYSA-N 1 0 382.428 1.015 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000824598607 946848409 /nfs/dbraw/zinc/84/84/09/946848409.db2.gz HRAYTMSTKCQHHR-BBRMVZONSA-N 1 0 394.501 1.006 20 0 GDADRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H]1O ZINC000825210193 947121412 /nfs/dbraw/zinc/12/14/12/947121412.db2.gz FWBJGPIGENMTFW-CMPLNLGQSA-N 1 0 376.486 1.448 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825453898 947196101 /nfs/dbraw/zinc/19/61/01/947196101.db2.gz XKTUJHYSNDJSQC-QGZVFWFLSA-N 1 0 394.483 1.917 20 0 GDADRO C[C@@H](CNc1ncccc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573585394 947254719 /nfs/dbraw/zinc/25/47/19/947254719.db2.gz FMMXCHDSXIFMEJ-GJZGRUSLSA-N 1 0 386.504 1.785 20 0 GDADRO C=C/C(C)=C/CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573315677 947255788 /nfs/dbraw/zinc/25/57/88/947255788.db2.gz DLRMGCVMLZLJAL-OBHPCNEJSA-N 1 0 384.484 1.640 20 0 GDADRO C[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586915 947297283 /nfs/dbraw/zinc/29/72/83/947297283.db2.gz UMLXFEBMBXVJHC-GJZGRUSLSA-N 1 0 386.504 1.785 20 0 GDADRO CCc1nncn1CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825771921 947328564 /nfs/dbraw/zinc/32/85/64/947328564.db2.gz VNJDOOBCRKTTLQ-UHFFFAOYSA-N 1 0 381.488 1.275 20 0 GDADRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573592529 947340039 /nfs/dbraw/zinc/34/00/39/947340039.db2.gz DOFRFLZNYHOZQZ-PBHICJAKSA-N 1 0 380.456 1.357 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573592954 947356366 /nfs/dbraw/zinc/35/63/66/947356366.db2.gz GSXLTCYKSRTGMO-GUYCJALGSA-N 1 0 380.456 1.395 20 0 GDADRO CN(C)c1nccc(CNC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000825888587 947358153 /nfs/dbraw/zinc/35/81/53/947358153.db2.gz SCLZTUHJKPEYIQ-UHFFFAOYSA-N 1 0 393.499 1.477 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC001573593146 947364817 /nfs/dbraw/zinc/36/48/17/947364817.db2.gz QKGWFKASVMPEGU-YOEHRIQHSA-N 1 0 388.516 1.800 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573595121 947415112 /nfs/dbraw/zinc/41/51/12/947415112.db2.gz FPDGEYTWPDLTHU-GOEBONIOSA-N 1 0 380.456 1.357 20 0 GDADRO CNC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826059895 947420992 /nfs/dbraw/zinc/42/09/92/947420992.db2.gz BVHTYNGGZHQEMS-HNNXBMFYSA-N 1 0 380.456 1.225 20 0 GDADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826060238 947421781 /nfs/dbraw/zinc/42/17/81/947421781.db2.gz IYHDYLFOTXKZLY-ROUUACIJSA-N 1 0 383.500 1.335 20 0 GDADRO C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001573597294 947435065 /nfs/dbraw/zinc/43/50/65/947435065.db2.gz MSOPOXSWATXTON-ZDUSSCGKSA-N 1 0 388.501 1.666 20 0 GDADRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1(C)C ZINC000826144484 947454804 /nfs/dbraw/zinc/45/48/04/947454804.db2.gz LAYCMHSVINABIG-FOUMNBMASA-N 1 0 376.486 1.683 20 0 GDADRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1(C)C ZINC000826144487 947456648 /nfs/dbraw/zinc/45/66/48/947456648.db2.gz LAYCMHSVINABIG-OJAKKHQRSA-N 1 0 376.486 1.683 20 0 GDADRO COCCOC1CC[NH+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826160129 947502549 /nfs/dbraw/zinc/50/25/49/947502549.db2.gz GIEWSUQNCNSBEQ-UHFFFAOYSA-N 1 0 397.483 1.895 20 0 GDADRO COCc1noc([C@@H](C)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826165565 947522106 /nfs/dbraw/zinc/52/21/06/947522106.db2.gz AUVAKKAPIRTWDH-CQSZACIVSA-N 1 0 398.471 1.665 20 0 GDADRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)ncn1 ZINC000826180381 947559254 /nfs/dbraw/zinc/55/92/54/947559254.db2.gz FDUZEDOOUJLCMX-UHFFFAOYSA-N 1 0 397.443 1.261 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573613455 947563527 /nfs/dbraw/zinc/56/35/27/947563527.db2.gz APUFFIYYNJMXKW-BONVTDFDSA-N 1 0 383.378 1.533 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000826184422 947566630 /nfs/dbraw/zinc/56/66/30/947566630.db2.gz WJPJGRKZKLJVKF-NSHDSACASA-N 1 0 388.453 1.374 20 0 GDADRO C=Cc1ccc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001573350720 947601562 /nfs/dbraw/zinc/60/15/62/947601562.db2.gz DRWACMSDUVRCHG-LJQANCHMSA-N 1 0 392.463 1.732 20 0 GDADRO C[C@@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1ccco1 ZINC001573615391 947603541 /nfs/dbraw/zinc/60/35/41/947603541.db2.gz DTGWKVCJQSRQJX-CYBMUJFWSA-N 1 0 381.440 1.731 20 0 GDADRO CSC[C@@H](CCO)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826228675 947670450 /nfs/dbraw/zinc/67/04/50/947670450.db2.gz XBNAQDKSZUIKOI-QGZVFWFLSA-N 1 0 376.530 1.535 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(F)(F)F ZINC001573619826 947671758 /nfs/dbraw/zinc/67/17/58/947671758.db2.gz YESJIURAGXRJDM-GXSJLCMTSA-N 1 0 386.353 1.895 20 0 GDADRO Cc1c(Cl)cnc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826237677 947696119 /nfs/dbraw/zinc/69/61/19/947696119.db2.gz IFJLLKKJOUEVAG-SWLSCSKDSA-N 1 0 390.923 1.686 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573367289 947756709 /nfs/dbraw/zinc/75/67/09/947756709.db2.gz BOLHHKHRMKNNAA-HXUWFJFHSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)N1CCC(CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573367736 947764005 /nfs/dbraw/zinc/76/40/05/947764005.db2.gz HJTLQHQINMOSOM-UHFFFAOYSA-N 1 0 385.472 1.484 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001573629275 947776886 /nfs/dbraw/zinc/77/68/86/947776886.db2.gz NEIUYNMJQFCING-VBKZILBWSA-N 1 0 384.484 1.356 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573372900 947786047 /nfs/dbraw/zinc/78/60/47/947786047.db2.gz FMFPLUWISGJKGA-CQSZACIVSA-N 1 0 388.447 1.703 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@H]1C ZINC001573373305 947790921 /nfs/dbraw/zinc/79/09/21/947790921.db2.gz HNYIDNLILVKOTO-DYVFJYSZSA-N 1 0 388.447 1.844 20 0 GDADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573638016 947831965 /nfs/dbraw/zinc/83/19/65/947831965.db2.gz YPYBTZSKTBLMKS-QAPCUYQASA-N 1 0 384.484 1.716 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[NH+]1CCCCCC1 ZINC001573638762 947842491 /nfs/dbraw/zinc/84/24/91/947842491.db2.gz URVVEQYFZYHYAP-HNNXBMFYSA-N 1 0 384.488 1.175 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C(C)(C)C ZINC001573640029 947849993 /nfs/dbraw/zinc/84/99/93/947849993.db2.gz FBZSDXISPGOFOK-GOEBONIOSA-N 1 0 386.500 1.866 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826293070 947851487 /nfs/dbraw/zinc/85/14/87/947851487.db2.gz ZHWAMWWWFFIYSG-CQSZACIVSA-N 1 0 386.481 1.804 20 0 GDADRO CC(=O)CCCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573382867 947887183 /nfs/dbraw/zinc/88/71/83/947887183.db2.gz LRJLUEVQGNZSLF-MRXNPFEDSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573384167 947899165 /nfs/dbraw/zinc/89/91/65/947899165.db2.gz IHONWVJEVCTCNJ-BMFZPTHFSA-N 1 0 383.456 1.555 20 0 GDADRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@@H]2C1)C1CC1 ZINC001573647633 947899895 /nfs/dbraw/zinc/89/98/95/947899895.db2.gz QZJSCXCQUVLSJY-AFAVFJNCSA-N 1 0 384.459 1.942 20 0 GDADRO C[C@H](C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C)n1cccc1 ZINC001573652727 947946670 /nfs/dbraw/zinc/94/66/70/947946670.db2.gz HAMJSIOFKASZTJ-CJNGLKHVSA-N 1 0 382.472 1.689 20 0 GDADRO C[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)n1cccn1 ZINC001573654277 947965461 /nfs/dbraw/zinc/96/54/61/947965461.db2.gz QJSUCCADZRNQDL-SUMWQHHRSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@@H](C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573654708 947971209 /nfs/dbraw/zinc/97/12/09/947971209.db2.gz SWYOKSZWRAQMRA-ZUOKHONESA-N 1 0 392.467 1.579 20 0 GDADRO Cc1onc(CC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826347007 948048580 /nfs/dbraw/zinc/04/85/80/948048580.db2.gz AWCBQXBTOOVHBN-CHWSQXEVSA-N 1 0 375.477 1.580 20 0 GDADRO C[C@H](C(=O)N[C@]1(CO)CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573664635 948057741 /nfs/dbraw/zinc/05/77/41/948057741.db2.gz WBZVBOJFUCSNCX-VBKZILBWSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)[C@@H]1CCCO1 ZINC001573664718 948059728 /nfs/dbraw/zinc/05/97/28/948059728.db2.gz XTJZSUBMHRIXBO-BBRMVZONSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573667328 948096382 /nfs/dbraw/zinc/09/63/82/948096382.db2.gz YYPDCXAJPANEPH-WDEREUQCSA-N 1 0 383.378 1.935 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001573672728 948109777 /nfs/dbraw/zinc/10/97/77/948109777.db2.gz IUGCYKQFLNUTMQ-GXTWGEPZSA-N 1 0 383.481 1.817 20 0 GDADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)[C@H]1CCCO1 ZINC001573676188 948125356 /nfs/dbraw/zinc/12/53/56/948125356.db2.gz SJUKYBUKTHSUAE-SWLSCSKDSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)n1cccn1 ZINC001573678440 948150526 /nfs/dbraw/zinc/15/05/26/948150526.db2.gz DXKIFKZWUZTECV-DYVFJYSZSA-N 1 0 380.456 1.309 20 0 GDADRO CC(=O)N1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@H](C(F)(F)F)C1 ZINC001573425755 948151871 /nfs/dbraw/zinc/15/18/71/948151871.db2.gz BKQOWUQHUPZMPS-SMDDNHRTSA-N 1 0 386.353 1.752 20 0 GDADRO CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573433613 948202932 /nfs/dbraw/zinc/20/29/32/948202932.db2.gz MMKAAUBZOAMQFR-RDJZCZTQSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573690249 948224150 /nfs/dbraw/zinc/22/41/50/948224150.db2.gz BWGRIOWLQDCRKL-SMDDNHRTSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCC1)[C@H]1CCCO1 ZINC001573690835 948230777 /nfs/dbraw/zinc/23/07/77/948230777.db2.gz BXOVFMMEAYAULM-TZMCWYRMSA-N 1 0 390.513 1.872 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CC1 ZINC001573693542 948283569 /nfs/dbraw/zinc/28/35/69/948283569.db2.gz ACCCDGXOIPBZLQ-AHBIMHKDSA-N 1 0 384.459 1.846 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC001573695190 948303472 /nfs/dbraw/zinc/30/34/72/948303472.db2.gz XEIMTYIUHCJLBG-LRDDRELGSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573706356 948417826 /nfs/dbraw/zinc/41/78/26/948417826.db2.gz ITXASTNCENIHDJ-AWEZNQCLSA-N 1 0 392.467 1.581 20 0 GDADRO OCC[C@@]1(C[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOC1 ZINC000826508934 948428736 /nfs/dbraw/zinc/42/87/36/948428736.db2.gz GNRGZESKMNUCDS-FQEVSTJZSA-N 1 0 386.500 1.210 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1OC1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000826514076 948439287 /nfs/dbraw/zinc/43/92/87/948439287.db2.gz GPIWZKIJLYLGNC-KDURUIRLSA-N 1 0 384.484 1.573 20 0 GDADRO C[C@@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573707909 948441815 /nfs/dbraw/zinc/44/18/15/948441815.db2.gz QHYNDYIXGJIBOB-JTQLQIEISA-N 1 0 383.378 1.580 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCCO1)C1CC1 ZINC001573708534 948452343 /nfs/dbraw/zinc/45/23/43/948452343.db2.gz WKPIIJNAEZAZMM-RHSMWYFYSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573708569 948453500 /nfs/dbraw/zinc/45/35/00/948453500.db2.gz VUMFPHUYPSCVGD-KBPBESRZSA-N 1 0 378.440 1.403 20 0 GDADRO C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573708753 948458353 /nfs/dbraw/zinc/45/83/53/948458353.db2.gz XBFRNCCACQOEJO-LLVKDONJSA-N 1 0 379.415 1.886 20 0 GDADRO CC1(C)CC[N@H+](CCNS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC001214002786 948495759 /nfs/dbraw/zinc/49/57/59/948495759.db2.gz DLXKVRXPYKCKLT-UHFFFAOYSA-N 1 0 384.893 1.530 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C)c1cnn(C)c1 ZINC001573746930 948688248 /nfs/dbraw/zinc/68/82/48/948688248.db2.gz RHLNNNDRZFMHAM-LBTNJELSSA-N 1 0 394.483 1.483 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573752055 948710723 /nfs/dbraw/zinc/71/07/23/948710723.db2.gz KXUWNIPNJLQFKP-GGZOMVNGSA-N 1 0 386.353 1.941 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)n1cccn1 ZINC001573752274 948713272 /nfs/dbraw/zinc/71/32/72/948713272.db2.gz MGBZRFULPJTHBM-KCPJHIHWSA-N 1 0 384.419 1.200 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[C@@H]1CCCO1 ZINC001573752625 948714834 /nfs/dbraw/zinc/71/48/34/948714834.db2.gz PCDKTMZDPNYHJB-LKIBZCMFSA-N 1 0 382.468 1.228 20 0 GDADRO CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001574416517 948750164 /nfs/dbraw/zinc/75/01/64/948750164.db2.gz WKHYRCJZNPUINW-CQSZACIVSA-N 1 0 378.440 1.529 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001575222112 948755744 /nfs/dbraw/zinc/75/57/44/948755744.db2.gz FADWFOUOSVTYIU-ZDUSSCGKSA-N 1 0 377.399 1.426 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001575222221 948756054 /nfs/dbraw/zinc/75/60/54/948756054.db2.gz GTQTVDCAJMPSIZ-CQSZACIVSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@H](CNC(=O)CCc1cccnc1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574915418 948764141 /nfs/dbraw/zinc/76/41/41/948764141.db2.gz SZQCJWNFPMZGMF-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO CC(F)(F)CC(=O)N[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001575225145 948797027 /nfs/dbraw/zinc/79/70/27/948797027.db2.gz XFCLGUWDPACIHA-QWHCGFSZSA-N 1 0 377.399 1.568 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574420373 948797895 /nfs/dbraw/zinc/79/78/95/948797895.db2.gz ULHAQYZFEJYZFL-HDJSIYSDSA-N 1 0 380.456 1.764 20 0 GDADRO CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001574080665 948801382 /nfs/dbraw/zinc/80/13/82/948801382.db2.gz ULCUVSGOKYGDHT-CLWVCHIJSA-N 1 0 376.411 1.546 20 0 GDADRO CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001574080880 948803542 /nfs/dbraw/zinc/80/35/42/948803542.db2.gz UUWNEVSYBBDCIL-LQKXBSAESA-N 1 0 376.411 1.546 20 0 GDADRO CC(F)(F)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575227349 948829185 /nfs/dbraw/zinc/82/91/85/948829185.db2.gz UMVOAIKVUKDOIV-GFCCVEGCSA-N 1 0 382.390 1.989 20 0 GDADRO C[C@@H](CCNc1nc(Cl)c(-c2nn[nH]n2)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574684056 948857231 /nfs/dbraw/zinc/85/72/31/948857231.db2.gz APTZRHBIPSADLT-IUCAKERBSA-N 1 0 384.897 1.235 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574684262 948858288 /nfs/dbraw/zinc/85/82/88/948858288.db2.gz CPDQRYKJBXJTHR-RYUDHWBXSA-N 1 0 376.440 1.049 20 0 GDADRO CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnc[nH]1 ZINC001573763453 948873132 /nfs/dbraw/zinc/87/31/32/948873132.db2.gz FOLFJZTYZUVMAU-HNNXBMFYSA-N 1 0 380.456 1.258 20 0 GDADRO C[C@@H](CNC(=O)CCc1cscn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920181 948891117 /nfs/dbraw/zinc/89/11/17/948891117.db2.gz FDGAKAPSKWKBQS-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO CC(F)(F)CCC(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001575234326 948897756 /nfs/dbraw/zinc/89/77/56/948897756.db2.gz AYLGAFKOZBZVEK-OLZOCXBDSA-N 1 0 391.426 1.982 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncs1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574920353 948898913 /nfs/dbraw/zinc/89/89/13/948898913.db2.gz JDSQXKKUZCFPKZ-NSHDSACASA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573765318 948905130 /nfs/dbraw/zinc/90/51/30/948905130.db2.gz YBDXRRDNBCIZJX-AWEZNQCLSA-N 1 0 378.440 1.069 20 0 GDADRO CC(C)(C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573765395 948910343 /nfs/dbraw/zinc/91/03/43/948910343.db2.gz BSNJVVPDPRJTAP-MRXNPFEDSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574920946 948913877 /nfs/dbraw/zinc/91/38/77/948913877.db2.gz ROQJVEMAEZYZCA-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@@H](CCNc1nc(Cl)c(-c2nn[nH]n2)s1)NC(=O)C[NH+]1CCCC1 ZINC001574685655 948915261 /nfs/dbraw/zinc/91/52/61/948915261.db2.gz YMPVWLWLDMTHCS-VIFPVBQESA-N 1 0 384.897 1.379 20 0 GDADRO CC(C)c1ncncc1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574432977 948946759 /nfs/dbraw/zinc/94/67/59/948946759.db2.gz RIHWVTLOEMQVEF-UHFFFAOYSA-N 1 0 392.467 1.642 20 0 GDADRO C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575501351 949007403 /nfs/dbraw/zinc/00/74/03/949007403.db2.gz HFIVZZSJPAWKRW-UONOGXRCSA-N 1 0 381.440 1.324 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(F)(F)F ZINC001573775231 949036098 /nfs/dbraw/zinc/03/60/98/949036098.db2.gz ULXKYWGUSCCYPX-NSHDSACASA-N 1 0 386.378 1.022 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001574692692 949036947 /nfs/dbraw/zinc/03/69/47/949036947.db2.gz ANGODRRXZALCCZ-WMLDXEAASA-N 1 0 386.504 1.641 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2ncccc2-c2nn[nH]n2)CC1)[NH+]1CCCCC1 ZINC001573779672 949066246 /nfs/dbraw/zinc/06/62/46/949066246.db2.gz LTGNKHSZQXYFPG-UHFFFAOYSA-N 1 0 384.488 1.587 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574694662 949085431 /nfs/dbraw/zinc/08/54/31/949085431.db2.gz UBOHHTLNDMCTLK-UKRRQHHQSA-N 1 0 387.492 1.036 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1CCCN1c1ccncc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573780276 949085825 /nfs/dbraw/zinc/08/58/25/949085825.db2.gz UZIVLIISGAQPIE-AWEZNQCLSA-N 1 0 384.488 1.221 20 0 GDADRO C[C@@H](Nc1nccnc1-c1nn[nH]n1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575249433 949098315 /nfs/dbraw/zinc/09/83/15/949098315.db2.gz BUOYGFKCIQOGFZ-OLZOCXBDSA-N 1 0 387.492 1.226 20 0 GDADRO CC(C)(C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCOCC1 ZINC001573782008 949117678 /nfs/dbraw/zinc/11/76/78/949117678.db2.gz OBLXGLUEIMLUDI-UHFFFAOYSA-N 1 0 392.529 1.977 20 0 GDADRO CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001573782987 949139117 /nfs/dbraw/zinc/13/91/17/949139117.db2.gz ZLWXASKHIYUVSD-OTVXOJSOSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575512561 949143426 /nfs/dbraw/zinc/14/34/26/949143426.db2.gz OIHYGMMBFNNMLW-CXAGYDPISA-N 1 0 383.456 1.021 20 0 GDADRO CC(C)c1ocnc1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574447517 949160858 /nfs/dbraw/zinc/16/08/58/949160858.db2.gz QZGHCYHTCZONIK-OAHLLOKOSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)COc1ccc(F)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574934813 949179671 /nfs/dbraw/zinc/17/96/71/949179671.db2.gz ROIULLLNFLRALK-NSHDSACASA-N 1 0 390.444 1.741 20 0 GDADRO C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575253233 949182549 /nfs/dbraw/zinc/18/25/49/949182549.db2.gz JEZINBKQOBFLLH-QWRGUYRKSA-N 1 0 376.440 1.048 20 0 GDADRO CC(C)c1oncc1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574448392 949186593 /nfs/dbraw/zinc/18/65/93/949186593.db2.gz KIZILCVNJVMABA-OAHLLOKOSA-N 1 0 382.428 1.416 20 0 GDADRO CC(C)c1oncc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574448865 949192379 /nfs/dbraw/zinc/19/23/79/949192379.db2.gz NVMCFDQKFCNLNJ-OAHLLOKOSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)c1oncc1C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574451142 949214747 /nfs/dbraw/zinc/21/47/47/949214747.db2.gz DMVGABKNYONZPT-QWHCGFSZSA-N 1 0 396.455 1.806 20 0 GDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575516892 949217768 /nfs/dbraw/zinc/21/77/68/949217768.db2.gz RJMDNXBOSHACRG-BFUOFWGJSA-N 1 0 381.440 1.123 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)OCC1CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574699413 949234032 /nfs/dbraw/zinc/23/40/32/949234032.db2.gz UOSLYZKSGZDZSN-CHWSQXEVSA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)c1oncc1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001574451553 949237460 /nfs/dbraw/zinc/23/74/60/949237460.db2.gz SATWZWBVWZUTQM-UHFFFAOYSA-N 1 0 382.428 1.560 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cn1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574938164 949242376 /nfs/dbraw/zinc/24/23/76/949242376.db2.gz TZSWIFPHRVKEOK-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO CC(C)n1cc(C(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001574452483 949261777 /nfs/dbraw/zinc/26/17/77/949261777.db2.gz KQFXWLDMLLYRGE-UHFFFAOYSA-N 1 0 380.456 1.506 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001574452876 949268065 /nfs/dbraw/zinc/26/80/65/949268065.db2.gz PGYKZJXERUQZRW-KRWDZBQOSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)n1cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001574453188 949284897 /nfs/dbraw/zinc/28/48/97/949284897.db2.gz YTPDNDMRXRNIPM-KRWDZBQOSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CC[C@@H]2C1 ZINC001573793367 949296295 /nfs/dbraw/zinc/29/62/95/949296295.db2.gz QKFLFWCOLDAPTB-SJORKVTESA-N 1 0 396.495 1.762 20 0 GDADRO CC(C)(C)C(=O)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCC1 ZINC001573793380 949296982 /nfs/dbraw/zinc/29/69/82/949296982.db2.gz RHEQRFZGHTVODY-UHFFFAOYSA-N 1 0 388.447 1.750 20 0 GDADRO C[C@H](CNC(=O)Cc1ccccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574941742 949319418 /nfs/dbraw/zinc/31/94/18/949319418.db2.gz SADDXDUESBWJCS-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO CC(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574109821 949331555 /nfs/dbraw/zinc/33/15/55/949331555.db2.gz DOYAFJWKAHQACR-DYVFJYSZSA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)n1ccc(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)n1 ZINC001574457670 949332919 /nfs/dbraw/zinc/33/29/19/949332919.db2.gz MIUUMHDXVHGMQP-UHFFFAOYSA-N 1 0 386.485 1.758 20 0 GDADRO CC(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574109946 949338613 /nfs/dbraw/zinc/33/86/13/949338613.db2.gz JMTRNNBCLYTUCI-AWEZNQCLSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCC1(F)F)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575259936 949342842 /nfs/dbraw/zinc/34/28/42/949342842.db2.gz SPYGEEXKVLWCLO-CABZTGNLSA-N 1 0 382.440 1.910 20 0 GDADRO CC(C)n1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001574458811 949349203 /nfs/dbraw/zinc/34/92/03/949349203.db2.gz YUKIRULTJNTLNW-MLGOLLRUSA-N 1 0 381.444 1.034 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574459788 949361941 /nfs/dbraw/zinc/36/19/41/949361941.db2.gz KREZWJJYCDFCPX-AWEZNQCLSA-N 1 0 383.460 1.367 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001574459859 949368346 /nfs/dbraw/zinc/36/83/46/949368346.db2.gz MVDCJJQIUDGGCI-CYBMUJFWSA-N 1 0 383.460 1.224 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574704235 949377731 /nfs/dbraw/zinc/37/77/31/949377731.db2.gz BGCPIDSLAIIVGZ-DOMZBBRYSA-N 1 0 375.452 1.749 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001575262792 949383145 /nfs/dbraw/zinc/38/31/45/949383145.db2.gz CEDCUZXVMUANRL-KGLIPLIRSA-N 1 0 386.504 1.687 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)c1 ZINC001574463932 949392827 /nfs/dbraw/zinc/39/28/27/949392827.db2.gz BVTXLIYPZLKKBI-OAHLLOKOSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574704840 949406356 /nfs/dbraw/zinc/40/63/56/949406356.db2.gz FFTLUFZDASFPNP-DZGCQCFKSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)n1cccc1C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574465193 949435276 /nfs/dbraw/zinc/43/52/76/949435276.db2.gz SBODKPNLYZOVGP-CZUORRHYSA-N 1 0 380.456 1.639 20 0 GDADRO CC(C)n1cccc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574465663 949444601 /nfs/dbraw/zinc/44/46/01/949444601.db2.gz UXQZXHRTLAGMLM-GFCCVEGCSA-N 1 0 389.485 1.191 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574467946 949448717 /nfs/dbraw/zinc/44/87/17/949448717.db2.gz AHNGHKSDDSTLNP-UHFFFAOYSA-N 1 0 382.472 1.848 20 0 GDADRO C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)CC[NH+](C)C ZINC001576156580 949449992 /nfs/dbraw/zinc/44/99/92/949449992.db2.gz NGWMXPHGDHBTAR-ACJLOTCBSA-N 1 0 387.492 1.085 20 0 GDADRO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574706850 949463453 /nfs/dbraw/zinc/46/34/53/949463453.db2.gz MYNRYWLTFVFOGO-ZFWWWQNUSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCCOCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575266175 949471901 /nfs/dbraw/zinc/47/19/01/949471901.db2.gz XQLJFEKJXQJFBJ-WMLDXEAASA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)n1nccc1C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574469151 949472109 /nfs/dbraw/zinc/47/21/09/949472109.db2.gz XQSMXJSOUYOLTI-ZDUSSCGKSA-N 1 0 381.444 1.178 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574469469 949480750 /nfs/dbraw/zinc/48/07/50/949480750.db2.gz DVQUDXISWVHIDU-IYBDPMFKSA-N 1 0 380.456 1.695 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCCOC1 ZINC001575537435 949494630 /nfs/dbraw/zinc/49/46/30/949494630.db2.gz UUTGWSFFNODLCY-HNAYVOBHSA-N 1 0 388.447 1.513 20 0 GDADRO CC(C)n1nccc1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574470363 949499420 /nfs/dbraw/zinc/49/94/20/949499420.db2.gz OHBQCQFIBQRRPG-UHFFFAOYSA-N 1 0 380.456 1.506 20 0 GDADRO CC1(C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC(F)(F)C1 ZINC001575537814 949501229 /nfs/dbraw/zinc/50/12/29/949501229.db2.gz XXOYWFGHZKQVLA-UHFFFAOYSA-N 1 0 377.399 1.522 20 0 GDADRO C[C@@H](NC(=O)CCC(F)F)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575268189 949514540 /nfs/dbraw/zinc/51/45/40/949514540.db2.gz LVSZBFLNNKJKPO-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)C=Cc1ccc[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574710785 949516765 /nfs/dbraw/zinc/51/67/65/949516765.db2.gz BMCHASLJBCROTI-CFNZNRNTSA-N 1 0 383.431 1.984 20 0 GDADRO CC1(C(=O)N2CCC[C@](CO)([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCC1 ZINC001575538684 949525469 /nfs/dbraw/zinc/52/54/69/949525469.db2.gz IXAIPPHLGDFJMS-SFHVURJKSA-N 1 0 390.513 1.562 20 0 GDADRO CC1(C(=O)N2CCC[C@](CO)([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CC1 ZINC001575538918 949538595 /nfs/dbraw/zinc/53/85/95/949538595.db2.gz KZTQCJLFQGGEHH-IBGZPJMESA-N 1 0 388.447 1.249 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001574711726 949549865 /nfs/dbraw/zinc/54/98/65/949549865.db2.gz KVFSXJOQXHCTNK-ZDUSSCGKSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@@H]1CCCC[C@H]1OCC[NH+]1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576165335 949569346 /nfs/dbraw/zinc/56/93/46/949569346.db2.gz JRLUJTBEDWQIHO-CXAGYDPISA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H]1CCCC[C@H]1OCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576167987 949621246 /nfs/dbraw/zinc/62/12/46/949621246.db2.gz RVMUQGJJUDTSJW-SZOQZIPDSA-N 1 0 387.488 1.641 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1c[nH]cn1 ZINC001573812946 949627007 /nfs/dbraw/zinc/62/70/07/949627007.db2.gz WJCJLUNYQHROGM-CQSZACIVSA-N 1 0 388.501 1.515 20 0 GDADRO CC(C)CC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574128656 949626910 /nfs/dbraw/zinc/62/69/10/949626910.db2.gz NWYKAFCHOBYWFO-OAHLLOKOSA-N 1 0 392.479 1.645 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575547536 949631747 /nfs/dbraw/zinc/63/17/47/949631747.db2.gz ZFOSMWSULIOZKZ-LIRRHRJNSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](CC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001574477051 949632880 /nfs/dbraw/zinc/63/28/80/949632880.db2.gz ODCPWCUSSQCPJT-HNNXBMFYSA-N 1 0 382.472 1.999 20 0 GDADRO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(c2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001575272095 949633491 /nfs/dbraw/zinc/63/34/91/949633491.db2.gz NITXLWBBXZMRPQ-STQMWFEESA-N 1 0 390.467 1.074 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574957847 949637500 /nfs/dbraw/zinc/63/75/00/949637500.db2.gz ATQPMWOICVMQAB-BYCMXARLSA-N 1 0 390.513 1.585 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ccncc1-c1nn[nH]n1 ZINC001575875924 949638047 /nfs/dbraw/zinc/63/80/47/949638047.db2.gz WLTUWYAFXBNWAZ-CJNGLKHVSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575547865 949641990 /nfs/dbraw/zinc/64/19/90/949641990.db2.gz HSLUNSNPKUJMSD-KXBFYZLASA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](CC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001574477262 949646939 /nfs/dbraw/zinc/64/69/39/949646939.db2.gz PNDSGTRIPIUVRK-PBHICJAKSA-N 1 0 387.488 1.752 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)CC(C)(C)C ZINC001574477458 949654998 /nfs/dbraw/zinc/65/49/98/949654998.db2.gz RHJVGMDTWOKMIS-UONOGXRCSA-N 1 0 389.504 1.377 20 0 GDADRO C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@@H]3C2)CCOC1 ZINC001575552216 949677439 /nfs/dbraw/zinc/67/74/39/949677439.db2.gz DHORRLYZLGLFOD-QKLQHJQFSA-N 1 0 382.468 1.184 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716100 949677977 /nfs/dbraw/zinc/67/79/77/949677977.db2.gz MJWDQROSJHBDGN-CWTRNNRKSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575879762 949693376 /nfs/dbraw/zinc/69/33/76/949693376.db2.gz RKNBEGKOEJVNNX-GUYCJALGSA-N 1 0 389.479 1.427 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574959820 949720590 /nfs/dbraw/zinc/72/05/90/949720590.db2.gz UQFJWZRCHRYFBX-ZLKJLUDKSA-N 1 0 384.419 1.127 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574717028 949722724 /nfs/dbraw/zinc/72/27/24/949722724.db2.gz SLALEAPGSKCPHF-TZMCWYRMSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574717311 949734363 /nfs/dbraw/zinc/73/43/63/949734363.db2.gz OYMLLJZOWVWYLV-VIFPVBQESA-N 1 0 386.913 1.577 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1cnc(-c2nn[nH]n2)cn1 ZINC001576170929 949744438 /nfs/dbraw/zinc/74/44/38/949744438.db2.gz OJCHOFULFMBBIJ-UKRRQHHQSA-N 1 0 387.492 1.038 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575559681 949764695 /nfs/dbraw/zinc/76/46/95/949764695.db2.gz XWLQVVYDLWSANE-BEFAXECRSA-N 1 0 387.488 1.443 20 0 GDADRO C[C@H](NC(=O)CCc1ncccn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575279189 949774761 /nfs/dbraw/zinc/77/47/61/949774761.db2.gz WYKWOACWAHRRPC-AWEZNQCLSA-N 1 0 392.467 1.226 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574481637 949794771 /nfs/dbraw/zinc/79/47/71/949794771.db2.gz SLIYMGRDLWSEHM-WDEREUQCSA-N 1 0 383.378 1.533 20 0 GDADRO C[C@@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575281408 949808081 /nfs/dbraw/zinc/80/80/81/949808081.db2.gz FYZUEBORMQFPPA-NWDGAFQWSA-N 1 0 385.403 1.207 20 0 GDADRO C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574965896 949820152 /nfs/dbraw/zinc/82/01/52/949820152.db2.gz OGYDOFVQKIVCOQ-GFCCVEGCSA-N 1 0 382.472 1.795 20 0 GDADRO C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574722993 949851760 /nfs/dbraw/zinc/85/17/60/949851760.db2.gz ZELWJEONGBRLCX-CQSZACIVSA-N 1 0 387.492 1.182 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1nccs1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574724368 949870874 /nfs/dbraw/zinc/87/08/74/949870874.db2.gz HLMQZUVQWXXRBA-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576178224 949884092 /nfs/dbraw/zinc/88/40/92/949884092.db2.gz GTHMZMQRRQRCLY-JQWIXIFHSA-N 1 0 387.473 1.077 20 0 GDADRO CC(C)(C)C1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573825529 949887206 /nfs/dbraw/zinc/88/72/06/949887206.db2.gz ZMKFMCLPNCXQRQ-GPANFISMSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@H](CN(C)C(=O)CCn1ccnc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574725015 949890616 /nfs/dbraw/zinc/89/06/16/949890616.db2.gz NHFTYBQZYTZHNV-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575284189 949895376 /nfs/dbraw/zinc/89/53/76/949895376.db2.gz IAWSZOJENFNRSQ-MNOVXSKESA-N 1 0 392.895 1.705 20 0 GDADRO C[C@H](NC(=O)COCC(F)F)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575284807 949916478 /nfs/dbraw/zinc/91/64/78/949916478.db2.gz WRTHOBLBQUCFGL-VIFPVBQESA-N 1 0 386.428 1.146 20 0 GDADRO C[C@@H](CNC(=O)c1c(F)cncc1F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574968972 949925079 /nfs/dbraw/zinc/92/50/79/949925079.db2.gz XFCCXNSFVFRQFS-VIFPVBQESA-N 1 0 391.357 1.587 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cccnn2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576179950 949933960 /nfs/dbraw/zinc/93/39/60/949933960.db2.gz GCLDQABVERYZLY-KBXCAEBGSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180172 949943723 /nfs/dbraw/zinc/94/37/23/949943723.db2.gz NFPKYOICZBVPSM-NHYWBVRUSA-N 1 0 384.469 1.493 20 0 GDADRO C[C@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180912 949974108 /nfs/dbraw/zinc/97/41/08/949974108.db2.gz FZHKVMLNNKHDMI-KBPBESRZSA-N 1 0 381.440 1.416 20 0 GDADRO CC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCC1 ZINC001575572927 949982761 /nfs/dbraw/zinc/98/27/61/949982761.db2.gz JQIRARCONXXTQY-CYBMUJFWSA-N 1 0 376.436 1.153 20 0 GDADRO C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576181290 949997803 /nfs/dbraw/zinc/99/78/03/949997803.db2.gz HFSDALYQEBUDRW-KGLIPLIRSA-N 1 0 380.456 1.151 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnon1 ZINC001574150609 950033014 /nfs/dbraw/zinc/03/30/14/950033014.db2.gz CLGVFUQDWIWYTK-CYBMUJFWSA-N 1 0 388.407 1.323 20 0 GDADRO CC(C)C[C@@H](C[NH2+][C@H](C)c1cnccn1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574150848 950043118 /nfs/dbraw/zinc/04/31/18/950043118.db2.gz FJYVZGNRFUHHID-OCCSQVGLSA-N 1 0 383.460 1.480 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1ccnc1 ZINC001574492056 950056428 /nfs/dbraw/zinc/05/64/28/950056428.db2.gz IRGCRHAOERKZRB-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574732210 950062277 /nfs/dbraw/zinc/06/22/77/950062277.db2.gz HAKNXZISOIQUQG-JTQLQIEISA-N 1 0 377.499 1.564 20 0 GDADRO 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HSGUHEFCKSPPED-WBMJQRKESA-N 1 0 383.431 1.737 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001574739760 950206765 /nfs/dbraw/zinc/20/67/65/950206765.db2.gz XHLGUFBLQNGZEX-CYBMUJFWSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)CC1(O)CCC1 ZINC001575900722 950207355 /nfs/dbraw/zinc/20/73/55/950207355.db2.gz IDLDGWUZMVIWOY-BLLLJJGKSA-N 1 0 388.447 1.390 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccnnc1 ZINC001575901043 950214182 /nfs/dbraw/zinc/21/41/82/950214182.db2.gz KEWWEWOMWWEMFS-BZNIZROVSA-N 1 0 382.403 1.189 20 0 GDADRO CC(C)(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(-c3nn[nH]n3)[nH]1)O2 ZINC001573845173 950219148 /nfs/dbraw/zinc/21/91/48/950219148.db2.gz UATNNLFDOXOSRL-ZDUSSCGKSA-N 1 0 387.488 1.594 20 0 GDADRO CC(C)(C)CCC[NH+]1CCC(CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573845170 950219631 /nfs/dbraw/zinc/21/96/31/950219631.db2.gz UAENMABAZYWUJY-UHFFFAOYSA-N 1 0 389.504 1.578 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575901146 950220632 /nfs/dbraw/zinc/22/06/32/950220632.db2.gz LSVSDLWGTKNGOX-BXUZGUMPSA-N 1 0 384.469 1.501 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)CC(C)(C)O ZINC001575901272 950229786 /nfs/dbraw/zinc/22/97/86/950229786.db2.gz MYBZPSROVJIZPF-NHYWBVRUSA-N 1 0 376.436 1.246 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573845431 950233224 /nfs/dbraw/zinc/23/32/24/950233224.db2.gz ZHEFCRUWTZJYMU-HIFRSBDPSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575587708 950235771 /nfs/dbraw/zinc/23/57/71/950235771.db2.gz NYGPLGYYUNUDAQ-JXFKEZNVSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ccnnc1 ZINC001575901633 950238648 /nfs/dbraw/zinc/23/86/48/950238648.db2.gz PFVMRJYOJCAVHK-ZBEGNZNMSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccns1 ZINC001575905194 950290713 /nfs/dbraw/zinc/29/07/13/950290713.db2.gz BXPKSHPGTNOKMH-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccns1 ZINC001575905195 950291924 /nfs/dbraw/zinc/29/19/24/950291924.db2.gz BXPKSHPGTNOKMH-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576193359 950295998 /nfs/dbraw/zinc/29/59/98/950295998.db2.gz TZVUTBIXCPNPOI-AAEUAGOBSA-N 1 0 386.485 1.539 20 0 GDADRO CC1(C(=O)NCCN2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CCC1 ZINC001575593225 950307158 /nfs/dbraw/zinc/30/71/58/950307158.db2.gz MXBNLGZOKGPNRM-UHFFFAOYSA-N 1 0 383.500 1.291 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccncc1 ZINC001575906323 950307633 /nfs/dbraw/zinc/30/76/33/950307633.db2.gz HKQKULILWASCDF-PXAZEXFGSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C[NH2+]Cc1nccs1 ZINC001576193964 950321035 /nfs/dbraw/zinc/32/10/35/950321035.db2.gz XBOWNMIIWOMLSD-AAEUAGOBSA-N 1 0 386.485 1.539 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CC1CCOCC1 ZINC001575907633 950342782 /nfs/dbraw/zinc/34/27/82/950342782.db2.gz PYWOLALUTUSICE-IUODEOHRSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1nccs1 ZINC001575908005 950350636 /nfs/dbraw/zinc/35/06/36/950350636.db2.gz SMJWPMSMGNUQQC-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1n[nH]cc1F ZINC001575908014 950350822 /nfs/dbraw/zinc/35/08/22/950350822.db2.gz SPEROKMXDYYWDT-XPTSAGLGSA-N 1 0 388.382 1.261 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccn(C)n1 ZINC001575908024 950353085 /nfs/dbraw/zinc/35/30/85/950353085.db2.gz SSYDUOXZQMATCS-ABAIWWIYSA-N 1 0 384.419 1.132 20 0 GDADRO 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C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576198065 950405499 /nfs/dbraw/zinc/40/54/99/950405499.db2.gz RLRCXRYBGKCAIY-GXTWGEPZSA-N 1 0 388.451 1.146 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001574747105 950405791 /nfs/dbraw/zinc/40/57/91/950405791.db2.gz QXELBGYRNUEXFD-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576199210 950419686 /nfs/dbraw/zinc/41/96/86/950419686.db2.gz XKOLQOXTVNACMQ-AWEZNQCLSA-N 1 0 389.479 1.238 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(F)c2F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575910592 950421965 /nfs/dbraw/zinc/42/19/65/950421965.db2.gz MBQQYXOZAVOACZ-HZMBPMFUSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cncs1 ZINC001575911174 950436864 /nfs/dbraw/zinc/43/68/64/950436864.db2.gz NAAKKTVQPHITIF-MLGOLLRUSA-N 1 0 383.481 1.645 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC2CC(CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576203355 950445574 /nfs/dbraw/zinc/44/55/74/950445574.db2.gz GVXIYFYJLJOVIH-DCBWTQNWSA-N 1 0 388.451 1.049 20 0 GDADRO C[C@H](CC(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCCO1 ZINC001574507144 950451916 /nfs/dbraw/zinc/45/19/16/950451916.db2.gz DTCOEGWQRDUOBY-DYVFJYSZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cncs1 ZINC001575911736 950452538 /nfs/dbraw/zinc/45/25/38/950452538.db2.gz PPRTXAAMPDLJRR-WBMJQRKESA-N 1 0 383.481 1.645 20 0 GDADRO C[C@H](CCNc1cccc(F)c1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576204300 950458539 /nfs/dbraw/zinc/45/85/39/950458539.db2.gz NNXWXOLKNKAODG-CHWSQXEVSA-N 1 0 375.452 1.654 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001574993585 950463171 /nfs/dbraw/zinc/46/31/71/950463171.db2.gz LIMULOLFVOFZLO-UWVGGRQHSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001574993629 950466767 /nfs/dbraw/zinc/46/67/67/950466767.db2.gz LQRRMGMUYMPAFK-JTQLQIEISA-N 1 0 375.383 1.424 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575605545 950466880 /nfs/dbraw/zinc/46/68/80/950466880.db2.gz LKLGLAJVSTYXGO-JXXFODFXSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574508072 950467988 /nfs/dbraw/zinc/46/79/88/950467988.db2.gz MBRAZLBWFIDYRQ-KGLIPLIRSA-N 1 0 382.472 1.388 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1ncccn1 ZINC001575914759 950499934 /nfs/dbraw/zinc/49/99/34/950499934.db2.gz VVCNCHOGWCCPLT-RHSMWYFYSA-N 1 0 392.467 1.369 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)CC1 ZINC001576205174 950501917 /nfs/dbraw/zinc/50/19/17/950501917.db2.gz VXBCIXMTWWHINV-UHFFFAOYSA-N 1 0 387.463 1.386 20 0 GDADRO C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)n1ccnc1 ZINC001574509513 950515884 /nfs/dbraw/zinc/51/58/84/950515884.db2.gz WJKOCJUBRIGXRO-QWHCGFSZSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccn1 ZINC001574509875 950533668 /nfs/dbraw/zinc/53/36/68/950533668.db2.gz ZZRBTQZFWNAXEZ-QWHCGFSZSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc2nncn2c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574753701 950535919 /nfs/dbraw/zinc/53/59/19/950535919.db2.gz QSXNHOPWBBLBIG-ZDUSSCGKSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001576205775 950536675 /nfs/dbraw/zinc/53/66/75/950536675.db2.gz PAJHBXOHECGVQD-NEPJUHHUSA-N 1 0 392.895 1.198 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574998878 950565992 /nfs/dbraw/zinc/56/59/92/950565992.db2.gz BUWBPUJKIBTEMI-GFCCVEGCSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cnc(Cl)s1 ZINC001574754809 950587143 /nfs/dbraw/zinc/58/71/43/950587143.db2.gz QNGZEZDXBIWVAP-MRVPVSSYSA-N 1 0 380.865 1.555 20 0 GDADRO CC(C)CCC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574172936 950589839 /nfs/dbraw/zinc/58/98/39/950589839.db2.gz CQZCJYZCJCKTAW-HXUWFJFHSA-N 1 0 386.500 1.746 20 0 GDADRO CC(C)CCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574173430 950595409 /nfs/dbraw/zinc/59/54/09/950595409.db2.gz JDUPHRHKAIGEIB-OAHLLOKOSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575000477 950604087 /nfs/dbraw/zinc/60/40/87/950604087.db2.gz DTIDHUVESCSUDN-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575000808 950613344 /nfs/dbraw/zinc/61/33/44/950613344.db2.gz FUOCDPBSKJYDOU-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO CC1(C)C(C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)C1(C)C ZINC001575619110 950616340 /nfs/dbraw/zinc/61/63/40/950616340.db2.gz MXDOKMORJSYKBX-BETUJISGSA-N 1 0 381.484 1.839 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575001126 950621613 /nfs/dbraw/zinc/62/16/13/950621613.db2.gz SSZDWTPKZPVWGT-LBPRGKRZSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccccc1O)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574758992 950626947 /nfs/dbraw/zinc/62/69/47/950626947.db2.gz ISBPYKVRKLRCOG-GFCCVEGCSA-N 1 0 384.415 1.962 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573873646 950652650 /nfs/dbraw/zinc/65/26/50/950652650.db2.gz WJXYEPUSWUCWQM-OKILXGFUSA-N 1 0 376.436 1.558 20 0 GDADRO C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575005325 950677977 /nfs/dbraw/zinc/67/79/77/950677977.db2.gz AYWMGWLBZHIZLV-NSHDSACASA-N 1 0 386.485 1.369 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CN(C)c1ccccc1 ZINC001575925581 950689975 /nfs/dbraw/zinc/68/99/75/950689975.db2.gz HPYDRKSEJJXVKW-YOEHRIQHSA-N 1 0 392.467 1.221 20 0 GDADRO CC(C)CCC(=O)NCC[NH+]1CCC(Nc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001574180074 950718604 /nfs/dbraw/zinc/71/86/04/950718604.db2.gz QARXUBAIIMHQIA-UHFFFAOYSA-N 1 0 387.492 1.085 20 0 GDADRO CC1(C)CC(C(=O)NC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CCOCC2)C1 ZINC001575628302 950719116 /nfs/dbraw/zinc/71/91/16/950719116.db2.gz CEZMEBKHRZRTGL-UHFFFAOYSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926988 950731384 /nfs/dbraw/zinc/73/13/84/950731384.db2.gz NBVACXYTDAASFY-MFKMUULPSA-N 1 0 380.412 1.264 20 0 GDADRO CC1(C)CC(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001575629938 950752503 /nfs/dbraw/zinc/75/25/03/950752503.db2.gz VLMOSEJDWDYFOE-IAGOWNOFSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnns1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574764663 950756548 /nfs/dbraw/zinc/75/65/48/950756548.db2.gz VSLSWJVRJXRJPE-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cscn1 ZINC001574521235 950769656 /nfs/dbraw/zinc/76/96/56/950769656.db2.gz DNOOGDQJDSUGHP-CHWSQXEVSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@H](C[N@H+](C)C[C@H](O)c1ccc(F)cc1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765279 950784322 /nfs/dbraw/zinc/78/43/22/950784322.db2.gz BCHVGQNHKPSTDL-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575930195 950792140 /nfs/dbraw/zinc/79/21/40/950792140.db2.gz DXRMHQFDEQLTEJ-FZMZJTMJSA-N 1 0 388.451 1.144 20 0 GDADRO C[C@H](C[N@H+](C)C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574765958 950799551 /nfs/dbraw/zinc/79/95/51/950799551.db2.gz GWIDHLGTQCBRRN-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1ccn(C)n1 ZINC001574523110 950806161 /nfs/dbraw/zinc/80/61/61/950806161.db2.gz MAPSRRFHCCZUHY-ZIAGYGMSSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCn1ccnc1 ZINC001574523681 950824100 /nfs/dbraw/zinc/82/41/00/950824100.db2.gz PFZMAEIHDBQAGL-GJZGRUSLSA-N 1 0 382.472 1.526 20 0 GDADRO C[C@H](CN(C)C(=O)c1scnc1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574767137 950837935 /nfs/dbraw/zinc/83/79/35/950837935.db2.gz MECFIIBPQWNQBE-MRVPVSSYSA-N 1 0 378.849 1.366 20 0 GDADRO CC(C)OCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574524125 950847368 /nfs/dbraw/zinc/84/73/68/950847368.db2.gz UAHCHYFTQISCFV-OLZOCXBDSA-N 1 0 378.452 1.804 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1CCOCC1 ZINC001574524138 950847417 /nfs/dbraw/zinc/84/74/17/950847417.db2.gz UCMVEIGPDJCAHK-QWHCGFSZSA-N 1 0 390.463 1.805 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCCO[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001575638858 950848745 /nfs/dbraw/zinc/84/87/45/950848745.db2.gz KLOQUBJFZJOERE-OAHLLOKOSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1=COCCO1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574524304 950850331 /nfs/dbraw/zinc/85/03/31/950850331.db2.gz VGPURKUZRGWYGJ-NEPJUHHUSA-N 1 0 390.419 1.267 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001575011266 950851483 /nfs/dbraw/zinc/85/14/83/950851483.db2.gz ODGPBWNIOXIECS-CYBMUJFWSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576221641 950856970 /nfs/dbraw/zinc/85/69/70/950856970.db2.gz VUJZJPRTOVOMQA-PWSUYJOCSA-N 1 0 379.415 1.624 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCO[C@](C)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575639056 950858079 /nfs/dbraw/zinc/85/80/79/950858079.db2.gz OEFSXYACOYASDO-LJQANCHMSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1ccon1 ZINC001574524695 950866246 /nfs/dbraw/zinc/86/62/46/950866246.db2.gz YOJLWIGFUAYGLP-VXGBXAGGSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cn1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574524653 950869022 /nfs/dbraw/zinc/86/90/22/950869022.db2.gz YEEKQKKDIHDXIF-OLZOCXBDSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCn1ccnc1 ZINC001574524726 950872722 /nfs/dbraw/zinc/87/27/22/950872722.db2.gz YVJYMHYAQKPETG-HUUCEWRRSA-N 1 0 382.472 1.526 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCC[C@](CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001575640213 950892354 /nfs/dbraw/zinc/89/23/54/950892354.db2.gz YOLYYKMCUYWXEO-IBGZPJMESA-N 1 0 387.488 1.188 20 0 GDADRO C[C@H](CN(C)C(=O)c1n[nH]cc1F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574768631 950895077 /nfs/dbraw/zinc/89/50/77/950895077.db2.gz ZWSGXDZRWAIROZ-SECBINFHSA-N 1 0 376.371 1.118 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccn(C)n1 ZINC001574527847 950907823 /nfs/dbraw/zinc/90/78/23/950907823.db2.gz HZKXEMKQIAXFIQ-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)c1cnc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001574527903 950915275 /nfs/dbraw/zinc/91/52/75/950915275.db2.gz IJNVXJJEBUYDJT-VXGBXAGGSA-N 1 0 386.460 1.993 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574528460 950931157 /nfs/dbraw/zinc/93/11/57/950931157.db2.gz MOXWXBNLBKCOBR-NWDGAFQWSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cnns1 ZINC001574528425 950931309 /nfs/dbraw/zinc/93/13/09/950931309.db2.gz MNQIOEOVGBRMHQ-VHSXEESVSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CO1 ZINC001575936992 950936578 /nfs/dbraw/zinc/93/65/78/950936578.db2.gz BVSXNWCIGVNJOW-STQMWFEESA-N 1 0 378.502 1.634 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cncn1C ZINC001574529287 950945465 /nfs/dbraw/zinc/94/54/65/950945465.db2.gz PZUOGAMMPOXLLV-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cncnc1 ZINC001574530179 950970065 /nfs/dbraw/zinc/97/00/65/950970065.db2.gz SVZNCROFKWHKGL-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO CC(C)CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(-c3nn[nH]n3)[nH]1)O2 ZINC001574195365 950984164 /nfs/dbraw/zinc/98/41/64/950984164.db2.gz MIACGKLYGYYDRJ-AWEZNQCLSA-N 1 0 387.488 1.594 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccnn1C ZINC001574530823 951000531 /nfs/dbraw/zinc/00/05/31/951000531.db2.gz XNHIDSFLIRFZDG-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574774601 951004799 /nfs/dbraw/zinc/00/47/99/951004799.db2.gz DOWPTGSWZYFHOB-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(Cl)ccc1F ZINC001575018996 951026783 /nfs/dbraw/zinc/02/67/83/951026783.db2.gz SESWBEDYTYXDRQ-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575022807 951074223 /nfs/dbraw/zinc/07/42/23/951074223.db2.gz JUNBEIUEVZNZHY-LBPRGKRZSA-N 1 0 378.440 1.789 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Cl)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575023817 951083220 /nfs/dbraw/zinc/08/32/20/951083220.db2.gz PWDAJRWDOYPPGB-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575024685 951112019 /nfs/dbraw/zinc/11/20/19/951112019.db2.gz KRUKHCNIPSWPCP-AWEZNQCLSA-N 1 0 379.468 1.841 20 0 GDADRO C[C@H](CNC(=O)c1ccc2nccnc2c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575026713 951145406 /nfs/dbraw/zinc/14/54/06/951145406.db2.gz MGLKTVVGHCTWSV-CYBMUJFWSA-N 1 0 388.435 1.718 20 0 GDADRO C[C@H](CNC(=O)c1cccc2ncnn21)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575029915 951190957 /nfs/dbraw/zinc/19/09/57/951190957.db2.gz YSKBOQPENFOUSI-CYBMUJFWSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@H](CNC(=O)c1cccn2nccc12)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575031997 951213918 /nfs/dbraw/zinc/21/39/18/951213918.db2.gz NRWNDMDVGNUQLE-CYBMUJFWSA-N 1 0 376.424 1.423 20 0 GDADRO C[C@H](CNC(=O)c1ccncc1C(F)(F)F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575033838 951230517 /nfs/dbraw/zinc/23/05/17/951230517.db2.gz CIWPELRWMKFZDU-SECBINFHSA-N 1 0 392.345 1.328 20 0 GDADRO C[C@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575034589 951250497 /nfs/dbraw/zinc/25/04/97/951250497.db2.gz NZHWFICSDSXSQV-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575044229 951409722 /nfs/dbraw/zinc/40/97/22/951409722.db2.gz YBBOEQTXZGIMOT-JTQLQIEISA-N 1 0 387.473 1.153 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(F)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575046278 951438663 /nfs/dbraw/zinc/43/86/63/951438663.db2.gz MHKNMSIMFYRCCW-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C2CCC2)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575053267 951476381 /nfs/dbraw/zinc/47/63/81/951476381.db2.gz SBORPQRBHRERTI-CYBMUJFWSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575060743 951547778 /nfs/dbraw/zinc/54/77/78/951547778.db2.gz FFKDPMFRHMAVQG-SNVBAGLBSA-N 1 0 386.485 1.438 20 0 GDADRO C[C@H](CNC(=O)c1scnc1Cl)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575070994 951656036 /nfs/dbraw/zinc/65/60/36/951656036.db2.gz WVQKJERUJFPKBZ-SECBINFHSA-N 1 0 377.861 1.885 20 0 GDADRO C[C@H](CNC(=O)c1scnc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575071254 951656926 /nfs/dbraw/zinc/65/69/26/951656926.db2.gz ZBIBNIGZAZFEPU-SSDOTTSWSA-N 1 0 383.890 1.946 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]CC1CCC(F)(F)CC1 ZINC001575077125 951662623 /nfs/dbraw/zinc/66/26/23/951662623.db2.gz CUHNZLNTZDCSGQ-NSHDSACASA-N 1 0 381.431 1.976 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077196 951664748 /nfs/dbraw/zinc/66/47/48/951664748.db2.gz AGIXQHJWTYBANS-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077806 951674607 /nfs/dbraw/zinc/67/46/07/951674607.db2.gz HUICWIYXIIGLPG-SECBINFHSA-N 1 0 391.432 1.324 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CCn1ccnc1 ZINC001575079396 951690970 /nfs/dbraw/zinc/69/09/70/951690970.db2.gz DNLJNUJMORATFI-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cncs1 ZINC001575079941 951701392 /nfs/dbraw/zinc/70/13/92/951701392.db2.gz TYSHIXYQMXQLSF-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@@H](O)C1CCCCC1 ZINC001575080265 951708464 /nfs/dbraw/zinc/70/84/64/951708464.db2.gz QSMLENJZFDQIPK-MLGOLLRUSA-N 1 0 375.477 1.092 20 0 GDADRO C[C@H](CNC(=O)CCn1cccc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080460 951710005 /nfs/dbraw/zinc/71/00/05/951710005.db2.gz MJNDQOWFOCLAMK-AWEZNQCLSA-N 1 0 385.447 1.740 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080885 951718681 /nfs/dbraw/zinc/71/86/81/951718681.db2.gz ZXMLMLFAHQBZLL-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@H](CNC(=O)C1CCC(O)CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082030 951729397 /nfs/dbraw/zinc/72/93/97/951729397.db2.gz UMJIGHNRFRYVCR-GRTSSRMGSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](CNC(=O)c1ccsn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575082196 951731713 /nfs/dbraw/zinc/73/17/13/951731713.db2.gz VLJHRAFWQAIOMP-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082358 951732462 /nfs/dbraw/zinc/73/24/62/951732462.db2.gz XPBCWIOWCWOERO-CZUORRHYSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](CNC(=O)c1cc(F)c[nH]1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082434 951734805 /nfs/dbraw/zinc/73/48/05/951734805.db2.gz YSKPALBDXQBXFL-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082930 951737312 /nfs/dbraw/zinc/73/73/12/951737312.db2.gz ZPZQQBQQAPCQOO-HIFRSBDPSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001575088554 951739146 /nfs/dbraw/zinc/73/91/46/951739146.db2.gz BGDWTPYMFHNWNK-HXUWFJFHSA-N 1 0 379.468 1.812 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1n[nH]cc1F ZINC001575088756 951742632 /nfs/dbraw/zinc/74/26/32/951742632.db2.gz CHUAYSJTXASULO-VIFPVBQESA-N 1 0 376.371 1.118 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001575088724 951743142 /nfs/dbraw/zinc/74/31/42/951743142.db2.gz BSAQCHUXVDSZTI-QGZVFWFLSA-N 1 0 386.485 1.269 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001575089412 951750070 /nfs/dbraw/zinc/75/00/70/951750070.db2.gz FLNALHJRJTYTNW-FZKQIMNGSA-N 1 0 390.513 1.872 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCc2cccnc21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090578 951761570 /nfs/dbraw/zinc/76/15/70/951761570.db2.gz KRSZNQDEOUTKLD-KBXCAEBGSA-N 1 0 391.479 1.834 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCc2cccnc21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090590 951761786 /nfs/dbraw/zinc/76/17/86/951761786.db2.gz KRSZNQDEOUTKLD-RDTXWAMCSA-N 1 0 391.479 1.834 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ncccc1F ZINC001575091405 951774761 /nfs/dbraw/zinc/77/47/61/951774761.db2.gz QPMMVUQFQDMMHR-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)Cc1cscn1 ZINC001575091449 951776697 /nfs/dbraw/zinc/77/66/97/951776697.db2.gz RKUNHZSUSIZFTL-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CCc1cn[nH]c1 ZINC001575092223 951791351 /nfs/dbraw/zinc/79/13/51/951791351.db2.gz ZDCUGXSNYBFCSP-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1cccnc1 ZINC001575093008 951796220 /nfs/dbraw/zinc/79/62/20/951796220.db2.gz GSWSMBLSRRSFBE-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575093857 951802259 /nfs/dbraw/zinc/80/22/59/951802259.db2.gz LEXSCFSBOXHMRO-RDTXWAMCSA-N 1 0 392.463 1.979 20 0 GDADRO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093843 951802758 /nfs/dbraw/zinc/80/27/58/951802758.db2.gz LDRFNAIJNIAAOJ-NQYLQCIDSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575094325 951803713 /nfs/dbraw/zinc/80/37/13/951803713.db2.gz MTQSNUAHXJCZAM-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cccc2nccn21 ZINC001575095955 951816772 /nfs/dbraw/zinc/81/67/72/951816772.db2.gz XRDMEHAQOARMAZ-AWEZNQCLSA-N 1 0 390.451 1.765 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099424 951834325 /nfs/dbraw/zinc/83/43/25/951834325.db2.gz LSDWURDZJQSYCE-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100505 951843851 /nfs/dbraw/zinc/84/38/51/951843851.db2.gz TVZCFOCLBWSPAO-LBPRGKRZSA-N 1 0 386.485 1.193 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100561 951847674 /nfs/dbraw/zinc/84/76/74/951847674.db2.gz UFUAUNJFKCMTBF-CYBMUJFWSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C1(C)CCOCC1 ZINC001575101505 951860674 /nfs/dbraw/zinc/86/06/74/951860674.db2.gz FXKXATTUGULRTE-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)Cc1cccnc1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102057 951866046 /nfs/dbraw/zinc/86/60/46/951866046.db2.gz LMXOKWXICYMWBG-ZDUSSCGKSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103376 951875557 /nfs/dbraw/zinc/87/55/57/951875557.db2.gz STLVOHBPDOCUHG-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1cccnn1)C1CC1 ZINC001575104468 951885603 /nfs/dbraw/zinc/88/56/03/951885603.db2.gz CZPOXZLUXORISW-LJQANCHMSA-N 1 0 378.440 1.345 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575105611 951895197 /nfs/dbraw/zinc/89/51/97/951895197.db2.gz LJSPBJGGHOQJEY-UZLBHIALSA-N 1 0 384.484 1.668 20 0 GDADRO 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1.478 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCN1C(=O)Cn1cccn1 ZINC001571170854 952789318 /nfs/dbraw/zinc/78/93/18/952789318.db2.gz XUJPWJYJOSFIKO-QGZVFWFLSA-N 1 0 380.456 1.186 20 0 GDADRO C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC[NH+](Cc2cccnc2)CC1 ZINC001571170925 952790513 /nfs/dbraw/zinc/79/05/13/952790513.db2.gz ZOQRWJKSYBBFAJ-CYBMUJFWSA-N 1 0 380.456 1.620 20 0 GDADRO Cc1[nH]ccc1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571170909 952790528 /nfs/dbraw/zinc/79/05/28/952790528.db2.gz ZFIHHKFULMMKMG-ZBEGNZNMSA-N 1 0 380.456 1.591 20 0 GDADRO Cn1cnc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571172034 952800636 /nfs/dbraw/zinc/80/06/36/952800636.db2.gz KWLRZYFALCUUKP-MRXNPFEDSA-N 1 0 380.456 1.385 20 0 GDADRO Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1C ZINC001571172076 952801943 /nfs/dbraw/zinc/80/19/43/952801943.db2.gz LONUUCBYVOJIII-WBMJQRKESA-N 1 0 380.456 1.681 20 0 GDADRO O=C(CCn1ccnc1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172310 952805510 /nfs/dbraw/zinc/80/55/10/952805510.db2.gz SKLYFRUWSUWNBB-MRXNPFEDSA-N 1 0 380.456 1.234 20 0 GDADRO CS[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571172551 952808195 /nfs/dbraw/zinc/80/81/95/952808195.db2.gz XBLINWRFQBXCTR-NEPJUHHUSA-N 1 0 380.543 1.960 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)c1ccc(F)cn1 ZINC001571178688 952845402 /nfs/dbraw/zinc/84/54/02/952845402.db2.gz RAYILTZUGIUKRB-WBMJQRKESA-N 1 0 381.415 1.794 20 0 GDADRO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)c(C)o1 ZINC001571179677 952856169 /nfs/dbraw/zinc/85/61/69/952856169.db2.gz JFVAPROQBQZLQF-BDJLRTHQSA-N 1 0 381.440 1.722 20 0 GDADRO Cc1ccc(CC(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C)o1 ZINC001571181433 952864008 /nfs/dbraw/zinc/86/40/08/952864008.db2.gz XAFVKBRRJAQEMX-BDJLRTHQSA-N 1 0 381.440 1.655 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C(C)(C)C2)no1 ZINC001571181786 952866467 /nfs/dbraw/zinc/86/64/67/952866467.db2.gz YHIFIWOMQWPWFJ-MRXNPFEDSA-N 1 0 381.440 1.804 20 0 GDADRO CCc1ocnc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001571182759 952868336 /nfs/dbraw/zinc/86/83/36/952868336.db2.gz DTLKSWAVJFALEB-IUODEOHRSA-N 1 0 381.440 1.810 20 0 GDADRO CO[C@@H](C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)c1ccccc1 ZINC001571182731 952868365 /nfs/dbraw/zinc/86/83/65/952868365.db2.gz CUXJQXKQCQFGLF-YOEHRIQHSA-N 1 0 381.440 1.387 20 0 GDADRO CO[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571182813 952869775 /nfs/dbraw/zinc/86/97/75/952869775.db2.gz GJJIVPCPZYFBAI-IAGOWNOFSA-N 1 0 381.440 1.132 20 0 GDADRO C[C@H]1CN(C(=O)c2cnco2)CC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571182991 952872156 /nfs/dbraw/zinc/87/21/56/952872156.db2.gz LOPXYRXZNDOZPH-XJKSGUPXSA-N 1 0 381.440 1.743 20 0 GDADRO COc1cccc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1C ZINC001571183162 952874607 /nfs/dbraw/zinc/87/46/07/952874607.db2.gz QQRHAGPKIOWRQM-HNNXBMFYSA-N 1 0 381.440 1.516 20 0 GDADRO COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 ZINC001571183204 952875521 /nfs/dbraw/zinc/87/55/21/952875521.db2.gz SJNVEYZJBTXYNA-OAHLLOKOSA-N 1 0 381.440 1.598 20 0 GDADRO COc1ccc(C)cc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571183205 952875632 /nfs/dbraw/zinc/87/56/32/952875632.db2.gz SJOGCPSMFWJISJ-HNNXBMFYSA-N 1 0 381.440 1.516 20 0 GDADRO CCc1cc(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571183958 952885907 /nfs/dbraw/zinc/88/59/07/952885907.db2.gz NJJOJBMTLATLCM-ZDUSSCGKSA-N 1 0 381.444 1.254 20 0 GDADRO CN(C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571192207 952948484 /nfs/dbraw/zinc/94/84/84/952948484.db2.gz UQOAIWVKHOHRIB-WCVJEAGWSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)(F)F ZINC001571194255 952960197 /nfs/dbraw/zinc/96/01/97/952960197.db2.gz KMDGAZYCMPMLKT-ZWNOBZJWSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC001571195699 952977333 /nfs/dbraw/zinc/97/73/33/952977333.db2.gz DQUPWOCYMPHHSI-RYUDHWBXSA-N 1 0 382.403 1.180 20 0 GDADRO Cc1cc(N(C)[C@H]2CCN(C(=O)c3cncc(F)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571195582 952977677 /nfs/dbraw/zinc/97/76/77/952977677.db2.gz CBKVOVPGBGWDKB-AWEZNQCLSA-N 1 0 382.403 1.455 20 0 GDADRO Cc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(F)cn2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571196894 952984346 /nfs/dbraw/zinc/98/43/46/952984346.db2.gz PDEBIIQJHZIKPF-CYBMUJFWSA-N 1 0 382.403 1.503 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571199716 953003876 /nfs/dbraw/zinc/00/38/76/953003876.db2.gz AAXVYKQRRHMUCP-BLLLJJGKSA-N 1 0 382.428 1.415 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1cncnc1 ZINC001571200427 953008773 /nfs/dbraw/zinc/00/87/73/953008773.db2.gz IOBBPMSWRMZKCB-WGRBQBNCSA-N 1 0 382.403 1.094 20 0 GDADRO CC[C@H]1CN(C(=O)c2oncc2C)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571200722 953010570 /nfs/dbraw/zinc/01/05/70/953010570.db2.gz KPOAEDWMWPHDIC-JSGCOSHPSA-N 1 0 382.428 1.333 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3cc(C(C)C)on3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571202203 953022904 /nfs/dbraw/zinc/02/29/04/953022904.db2.gz ROSPSXOXJDEGGN-LBPRGKRZSA-N 1 0 382.428 1.430 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@@H]2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571206510 953052318 /nfs/dbraw/zinc/05/23/18/953052318.db2.gz QIMXBURERGAPSB-QWHCGFSZSA-N 1 0 382.428 1.299 20 0 GDADRO Cc1nonc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571206858 953056698 /nfs/dbraw/zinc/05/66/98/953056698.db2.gz SEZLXNDRRWMJOM-CQSZACIVSA-N 1 0 382.428 1.200 20 0 GDADRO C[C@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571210358 953071176 /nfs/dbraw/zinc/07/11/76/953071176.db2.gz PRKIAOTYJSACPI-KMJFJPQNSA-N 1 0 382.468 1.228 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3(C4CC4)CC3)C2)cc1-c1nn[nH]n1 ZINC001571210410 953072337 /nfs/dbraw/zinc/07/23/37/953072337.db2.gz RBEZZOKNXLTYGF-OAHLLOKOSA-N 1 0 382.468 1.756 20 0 GDADRO O=C(N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2)[C@@H]1CCOC1 ZINC001571210834 953074944 /nfs/dbraw/zinc/07/49/44/953074944.db2.gz XXQAPWKNGGGGBE-IAGOWNOFSA-N 1 0 382.468 1.374 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1)c1cnsn1 ZINC001571210906 953076119 /nfs/dbraw/zinc/07/61/19/953076119.db2.gz ZVDOEYHVSXKSFY-IPYPFGDCSA-N 1 0 382.453 1.254 20 0 GDADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571211534 953077078 /nfs/dbraw/zinc/07/70/78/953077078.db2.gz AXZFELJLHRSKDV-MLHJIOFPSA-N 1 0 382.468 1.515 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(C)on3)C2)cc1-c1nn[nH]n1 ZINC001571218906 953121118 /nfs/dbraw/zinc/12/11/18/953121118.db2.gz GQNOYESCQJSCRE-JOCQHMNTSA-N 1 0 383.412 1.222 20 0 GDADRO CN(C(=O)c1cccn1C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571229694 953171574 /nfs/dbraw/zinc/17/15/74/953171574.db2.gz KBLLGUPYWPMRLC-UHFFFAOYSA-N 1 0 383.431 1.737 20 0 GDADRO Cc1[nH]ccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571229988 953172745 /nfs/dbraw/zinc/17/27/45/953172745.db2.gz QICCEKJRGRGLLI-AWEZNQCLSA-N 1 0 383.431 1.989 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571230017 953172996 /nfs/dbraw/zinc/17/29/96/953172996.db2.gz QXFZFVKGYFWSBB-OAHLLOKOSA-N 1 0 383.431 1.916 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)C2=COCCC2)CCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571231059 953182420 /nfs/dbraw/zinc/18/24/20/953182420.db2.gz RIFGUHVALSAANK-JKSUJKDBSA-N 1 0 383.456 1.738 20 0 GDADRO Cc1cc(C[NH2+][C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H](C)C2)nn1C ZINC001571234109 953199195 /nfs/dbraw/zinc/19/91/95/953199195.db2.gz NFRWBGWLXUFLBZ-OLZOCXBDSA-N 1 0 383.460 1.020 20 0 GDADRO C[C@H]1CN(C(=O)c2ccns2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234498 953203138 /nfs/dbraw/zinc/20/31/38/953203138.db2.gz ZWHXLILBNHYVHA-WFASDCNBSA-N 1 0 383.481 1.964 20 0 GDADRO C[C@H]1CN(C(=O)c2ccns2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234497 953203241 /nfs/dbraw/zinc/20/32/41/953203241.db2.gz ZWHXLILBNHYVHA-SWLSCSKDSA-N 1 0 383.481 1.964 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001571238818 953233061 /nfs/dbraw/zinc/23/30/61/953233061.db2.gz ASBIILXEMPITNE-CYBMUJFWSA-N 1 0 384.419 1.466 20 0 GDADRO CCc1nc[nH]c1C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571239408 953239021 /nfs/dbraw/zinc/23/90/21/953239021.db2.gz KSAVQSJRFZQPQH-CYBMUJFWSA-N 1 0 384.419 1.296 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)c2n[nH]cc2F)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571239614 953241586 /nfs/dbraw/zinc/24/15/86/953241586.db2.gz NZDZDRNGSHXZAJ-AAEUAGOBSA-N 1 0 384.419 1.512 20 0 GDADRO Cc1c[nH]c(C(=O)N2CCC([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)CC2)n1 ZINC001571239736 953242339 /nfs/dbraw/zinc/24/23/39/953242339.db2.gz RRXXVKKIQFUWFZ-UHFFFAOYSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1c[nH]nc1C(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC001571239962 953244741 /nfs/dbraw/zinc/24/47/41/953244741.db2.gz VVGSJMKBKFONEL-NHYWBVRUSA-N 1 0 384.419 1.288 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccn[nH]1 ZINC001571241492 953246771 /nfs/dbraw/zinc/24/67/71/953246771.db2.gz AXEOLZXEFUMVNQ-HUUCEWRRSA-N 1 0 384.419 1.560 20 0 GDADRO Cn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cn1 ZINC001571241696 953248598 /nfs/dbraw/zinc/24/85/98/953248598.db2.gz JAHXNTLOFGFSGE-HNNXBMFYSA-N 1 0 384.419 1.134 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571241713 953249214 /nfs/dbraw/zinc/24/92/14/953249214.db2.gz JMXWNLQIEFONJX-KGLIPLIRSA-N 1 0 384.419 1.560 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)c[nH]1 ZINC001571242016 953252619 /nfs/dbraw/zinc/25/26/19/953252619.db2.gz SVNWXNDQAGYZMN-AWEZNQCLSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1ncc(C(=O)NC2CC(C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571242229 953254534 /nfs/dbraw/zinc/25/45/34/953254534.db2.gz XGMLYISEHCMWQR-UHFFFAOYSA-N 1 0 384.419 1.336 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ncc[nH]1 ZINC001571242297 953255656 /nfs/dbraw/zinc/25/56/56/953255656.db2.gz YSGNPZKUZQQETH-ZDUSSCGKSA-N 1 0 384.419 1.371 20 0 GDADRO CCc1cnc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571242647 953258976 /nfs/dbraw/zinc/25/89/76/953258976.db2.gz KXOJHHRALJLKEM-STQMWFEESA-N 1 0 384.444 1.576 20 0 GDADRO Cc1nc(C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)sc1C ZINC001571244736 953267046 /nfs/dbraw/zinc/26/70/46/953267046.db2.gz GYHPMMZQAYOJRP-GFCCVEGCSA-N 1 0 384.469 1.591 20 0 GDADRO Cc1cc(N(C)C[C@@H]2CCN(C(=O)c3ccsn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571244823 953267720 /nfs/dbraw/zinc/26/77/20/953267720.db2.gz JQWPWLANKICQPW-LBPRGKRZSA-N 1 0 384.469 1.625 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3ccsn3)[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245103 953269488 /nfs/dbraw/zinc/26/94/88/953269488.db2.gz NRVLXFGQEZTSAY-RYUDHWBXSA-N 1 0 384.469 1.554 20 0 GDADRO C[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571245410 953273294 /nfs/dbraw/zinc/27/32/94/953273294.db2.gz HZWZBXUQEYZZOF-NVJLRMAKSA-N 1 0 384.459 1.988 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(C(=O)c2cnsn2)C1 ZINC001571245541 953274562 /nfs/dbraw/zinc/27/45/62/953274562.db2.gz UYDQMBGNVXYZQU-CQSZACIVSA-N 1 0 384.469 1.455 20 0 GDADRO COc1ccsc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571245950 953278322 /nfs/dbraw/zinc/27/83/22/953278322.db2.gz PFQQZEYAMJZAHO-HDJSIYSDSA-N 1 0 384.465 1.987 20 0 GDADRO CC1(C)CN(c2cc[nH+]cc2-c2nn[nH]n2)CC[C@@H]1NC(=O)c1nccs1 ZINC001571245904 953278552 /nfs/dbraw/zinc/27/85/52/953278552.db2.gz OJMDYPJFBRHGCV-ZDUSSCGKSA-N 1 0 384.469 1.753 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571247587 953283128 /nfs/dbraw/zinc/28/31/28/953283128.db2.gz AOIZCFYNFNBRGX-NXHRZFHOSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001571248311 953291570 /nfs/dbraw/zinc/29/15/70/953291570.db2.gz QEHWGFIQYYLTIE-PBHICJAKSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)C(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571248247 953291781 /nfs/dbraw/zinc/29/17/81/953291781.db2.gz OMZIRFXXCXJBOS-QRWLVFNGSA-N 1 0 384.484 1.715 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnsn1 ZINC001571248694 953295825 /nfs/dbraw/zinc/29/58/25/953295825.db2.gz XSITYPWRRCUZPX-ZIAGYGMSSA-N 1 0 384.469 1.549 20 0 GDADRO COC1CC(C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571248650 953296348 /nfs/dbraw/zinc/29/63/48/953296348.db2.gz WZFICRGQEOIQGC-ADKAHSJRSA-N 1 0 384.484 1.762 20 0 GDADRO Cc1ncc(C[NH2+]C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)o1 ZINC001571248959 953299364 /nfs/dbraw/zinc/29/93/64/953299364.db2.gz MWJRWERMKTWXBB-YPMHNXCESA-N 1 0 384.444 1.379 20 0 GDADRO O=C(CC[C@H]1CCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571249210 953302955 /nfs/dbraw/zinc/30/29/55/953302955.db2.gz FXVVSGMPDNIAQS-FUHWJXTLSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(CC[C@H]1CCOC1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571249605 953306185 /nfs/dbraw/zinc/30/61/85/953306185.db2.gz JQCVNJWLNATVJH-WMZOPIPTSA-N 1 0 384.484 1.764 20 0 GDADRO O=C([C@H]1CCCCO1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571250218 953308793 /nfs/dbraw/zinc/30/87/93/953308793.db2.gz OMHGHLHHHMGZJE-FUHWJXTLSA-N 1 0 384.484 1.907 20 0 GDADRO O=C(CC[C@H]1CCCO1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571251389 953316488 /nfs/dbraw/zinc/31/64/88/953316488.db2.gz WXOOVEDKPOHKSR-DLBZAZTESA-N 1 0 384.484 1.907 20 0 GDADRO CN(c1ccncc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001571251794 953319489 /nfs/dbraw/zinc/31/94/89/953319489.db2.gz ABJJGWDYCXNIQT-GJZGRUSLSA-N 1 0 384.488 1.031 20 0 GDADRO Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571251857 953320777 /nfs/dbraw/zinc/32/07/77/953320777.db2.gz BFMFWTNQTKZCQV-HOCLYGCPSA-N 1 0 384.488 1.092 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C)c(C)o1 ZINC001571252237 953325032 /nfs/dbraw/zinc/32/50/32/953325032.db2.gz ZJSWABYUZCBPFD-IINYFYTJSA-N 1 0 384.444 1.440 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CCNc3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571252491 953328599 /nfs/dbraw/zinc/32/85/99/953328599.db2.gz NUOJCSJPWMBZRO-LSDHHAIUSA-N 1 0 384.488 1.254 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2C[C@H](NC(=O)C[NH+]3CCCC3)CC[C@H]2C)n1 ZINC001571252834 953333082 /nfs/dbraw/zinc/33/30/82/953333082.db2.gz WHPYSTFEDWYXIA-HUUCEWRRSA-N 1 0 384.488 1.139 20 0 GDADRO CCc1nc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)co1 ZINC001571254043 953335738 /nfs/dbraw/zinc/33/57/38/953335738.db2.gz CMYKLVRYQBNITC-LBPRGKRZSA-N 1 0 385.403 1.561 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3cc(F)ccc3F)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571254336 953337741 /nfs/dbraw/zinc/33/77/41/953337741.db2.gz BWIOEQRUUQUBFC-LBPRGKRZSA-N 1 0 385.378 1.597 20 0 GDADRO C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)c1ccncc1Cl ZINC001571254453 953338709 /nfs/dbraw/zinc/33/87/09/953338709.db2.gz DISPYPHKQXQRGZ-GHMZBOCLSA-N 1 0 384.831 1.447 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3ccc(Cl)cn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571254648 953340736 /nfs/dbraw/zinc/34/07/36/953340736.db2.gz FPKSTKGHBZMESH-LBPRGKRZSA-N 1 0 384.831 1.367 20 0 GDADRO CC(C)[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C(F)(F)F ZINC001571255928 953359309 /nfs/dbraw/zinc/35/93/09/953359309.db2.gz WQXMPGIJSLXHIX-RYUDHWBXSA-N 1 0 385.394 1.833 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ccon1 ZINC001571256120 953363796 /nfs/dbraw/zinc/36/37/96/953363796.db2.gz YNWPCEXDKXRNFH-OLZOCXBDSA-N 1 0 385.403 1.825 20 0 GDADRO COC(=O)C1CC2(C1)C[N@H+](C[C@H](O)CN(C)Cc1ccccc1)C[C@@H]2C(=O)[O-] ZINC001593825111 955095650 /nfs/dbraw/zinc/09/56/50/955095650.db2.gz XUHMIJXXVSBYSJ-BKVYSMKUSA-N 1 0 390.480 1.065 20 0 GDADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1CC[NH+](CC(=O)[O-])CC1 ZINC000874047235 956106900 /nfs/dbraw/zinc/10/69/00/956106900.db2.gz MDHMXUDWDVLMJC-OAHLLOKOSA-N 1 0 387.480 1.980 20 0 GDADRO CC(C)(C(=O)[O-])[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000629364216 975084167 /nfs/dbraw/zinc/08/41/67/975084167.db2.gz WXSBBTNZOLJIRQ-IBGZPJMESA-N 1 0 375.513 1.758 20 0 GDADRO CC[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2C[NH+]2C[C@H](O)[C@@H](CC)C2)C[C@H]1O ZINC001595489937 981239817 /nfs/dbraw/zinc/23/98/17/981239817.db2.gz XGZUJJILYNQMGX-ITKAJJHTSA-N 1 0 376.497 1.790 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001594518897 985934450 /nfs/dbraw/zinc/93/44/50/985934450.db2.gz FQEYRYXMTODGLT-QGZVFWFLSA-N 1 0 388.512 1.973 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001594542075 986178073 /nfs/dbraw/zinc/17/80/73/986178073.db2.gz CGEFBZUJQHKEBT-AEFFLSMTSA-N 1 0 388.512 1.697 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1)c1cccnc1 ZINC001598213656 990865679 /nfs/dbraw/zinc/86/56/79/990865679.db2.gz FHHMJDANCWSADE-INIZCTEOSA-N 1 0 377.489 1.265 20 0 GDADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C)C[C@H](C(=O)[O-])C1 ZINC001590981256 991139184 /nfs/dbraw/zinc/13/91/84/991139184.db2.gz RXDPAYVSMRCXIX-RBUKOAKNSA-N 1 0 390.528 1.801 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001598606126 993660879 /nfs/dbraw/zinc/66/08/79/993660879.db2.gz GTGHJJGZJKXRDQ-HOCLYGCPSA-N 1 0 382.892 1.601 20 0 GDADRO COc1cccc([C@](C)(CC(=O)[O-])[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC001599653677 994544400 /nfs/dbraw/zinc/54/44/00/994544400.db2.gz XICMOYBHSMZEID-NRFANRHFSA-N 1 0 389.496 1.718 20 0 GDADRO COC(=O)c1ccc2c(c1)nc(C[NH2+]C1(CO)Cc3ccccc3C1)[nH]c2=O ZINC000411287018 1126080092 /nfs/dbraw/zinc/08/00/92/1126080092.db2.gz YKDZUGIZJDPXOC-UHFFFAOYSA-N 1 0 379.416 1.742 20 0 GDADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000466914724 1126094355 /nfs/dbraw/zinc/09/43/55/1126094355.db2.gz ZBFSQFRBLVUOSQ-OALUTQOASA-N 1 0 377.510 1.418 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(=O)n3ccccc3n2)cc1OC ZINC000933443366 1126142291 /nfs/dbraw/zinc/14/22/91/1126142291.db2.gz ALUMHOLJWSDORQ-NRFANRHFSA-N 1 0 383.448 1.795 20 0 GDADRO COc1cc(I)c(C(=O)N2CCC[C@H]([NH3+])C2)cc1OC ZINC000158348217 530532085 /nfs/dbraw/zinc/53/20/85/530532085.db2.gz AEHWGRIBZJHBGN-VIFPVBQESA-N 1 0 390.221 1.872 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158875306 530537075 /nfs/dbraw/zinc/53/70/75/530537075.db2.gz VJKHMULQMFUJQX-QGZVFWFLSA-N 1 0 391.269 1.371 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000015376662 530562542 /nfs/dbraw/zinc/56/25/42/530562542.db2.gz VNRQFCNOVPSDKJ-UHFFFAOYSA-N 1 0 389.880 1.408 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000162285265 530567296 /nfs/dbraw/zinc/56/72/96/530567296.db2.gz KLLNMPYPPFSZHI-GHMZBOCLSA-N 1 0 391.896 1.977 20 0 GDADRO Cn1ccnc1Sc1ncc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1Cl ZINC000162427843 530568105 /nfs/dbraw/zinc/56/81/05/530568105.db2.gz OBRYOOAKVOJIMR-LBPRGKRZSA-N 1 0 380.905 1.335 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000162381644 530568126 /nfs/dbraw/zinc/56/81/26/530568126.db2.gz AIUUGVHOIIUJEJ-SJORKVTESA-N 1 0 396.329 1.721 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000163250922 530575144 /nfs/dbraw/zinc/57/51/44/530575144.db2.gz WTKHCQBXSXKHJW-GFCCVEGCSA-N 1 0 395.305 1.985 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(I)cc2)C[C@@H]1C[NH3+] ZINC000163758801 530577561 /nfs/dbraw/zinc/57/75/61/530577561.db2.gz OCDGHIQNVVQKEZ-MNOVXSKESA-N 1 0 394.278 1.897 20 0 GDADRO C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000171247385 530596115 /nfs/dbraw/zinc/59/61/15/530596115.db2.gz MWGQBFYMOUXMQA-MCIONIFRSA-N 1 0 387.933 1.996 20 0 GDADRO CN(CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000171450547 530599491 /nfs/dbraw/zinc/59/94/91/530599491.db2.gz TYTLJYYTYHBIDT-OAHLLOKOSA-N 1 0 385.917 1.657 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)c(=O)n(C)c1=O ZINC000171786746 530603380 /nfs/dbraw/zinc/60/33/80/530603380.db2.gz DCNCXORDBMYEBU-CYBMUJFWSA-N 1 0 393.285 1.215 20 0 GDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CCO1 ZINC000172032122 530607133 /nfs/dbraw/zinc/60/71/33/530607133.db2.gz KVSSZARLRIUKGJ-JTQLQIEISA-N 1 0 398.710 1.449 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(C)(C)C ZINC000172119596 530607943 /nfs/dbraw/zinc/60/79/43/530607943.db2.gz SQOPIJBGCKQEPY-HNNXBMFYSA-N 1 0 376.567 1.324 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000172063364 530608046 /nfs/dbraw/zinc/60/80/46/530608046.db2.gz MOYBHOALFYHEIS-INIZCTEOSA-N 1 0 386.539 1.480 20 0 GDADRO O=C(CNS(=O)(=O)c1cccs1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000033017799 530611012 /nfs/dbraw/zinc/61/10/12/530611012.db2.gz DTRVUAXTVOLCDK-UHFFFAOYSA-N 1 0 379.507 1.201 20 0 GDADRO CC(=O)N1CCN(C(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)CC1 ZINC000173273676 530627916 /nfs/dbraw/zinc/62/79/16/530627916.db2.gz OKFWPVHYMZVBKT-UHFFFAOYSA-N 1 0 380.286 1.719 20 0 GDADRO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000042328401 530628200 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C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000174572403 530650707 /nfs/dbraw/zinc/65/07/07/530650707.db2.gz YQBSCMLSYLMYDX-AWEZNQCLSA-N 1 0 385.555 1.892 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000175083976 530658768 /nfs/dbraw/zinc/65/87/68/530658768.db2.gz KKARIJUAIXJGIP-NWDGAFQWSA-N 1 0 378.491 1.380 20 0 GDADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000175668886 530668488 /nfs/dbraw/zinc/66/84/88/530668488.db2.gz BYUPDAQDQXHKND-UHFFFAOYSA-N 1 0 391.269 1.927 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000175882377 530672639 /nfs/dbraw/zinc/67/26/39/530672639.db2.gz WRAFVFNXFKBUQY-UHFFFAOYSA-N 1 0 387.933 1.656 20 0 GDADRO Cc1c(C(=O)N2CCC[N@@H+](C)CC2)cc(Br)cc1S(N)(=O)=O ZINC000175921901 530673199 /nfs/dbraw/zinc/67/31/99/530673199.db2.gz NNDIELCLFAEKPF-UHFFFAOYSA-N 1 0 390.303 1.183 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(I)cc1)[C@H]1CCC[NH2+]C1 ZINC000050163447 530675682 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1.561 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCNC(=O)C2CC2)ccc1S(=O)(=O)C(F)F ZINC000178213475 530717890 /nfs/dbraw/zinc/71/78/90/530717890.db2.gz FXQUVLYKMKJJBI-JTQLQIEISA-N 1 0 376.425 1.868 20 0 GDADRO C[NH2+]C1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000179140662 530736465 /nfs/dbraw/zinc/73/64/65/530736465.db2.gz SDFURHQLFYZGDM-UHFFFAOYSA-N 1 0 385.555 1.676 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000179217780 530737294 /nfs/dbraw/zinc/73/72/94/530737294.db2.gz OIIXBCGGTAJLTB-ZDUSSCGKSA-N 1 0 392.319 1.237 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000061398652 530740081 /nfs/dbraw/zinc/74/00/81/530740081.db2.gz AKZAXGXNWWQVKM-UHFFFAOYSA-N 1 0 377.894 1.410 20 0 GDADRO CNC(=O)CC[N@H+](C)Cc1cc(I)c(OC)c(OC)c1 ZINC000179412449 530740672 /nfs/dbraw/zinc/74/06/72/530740672.db2.gz ZTRQXSABEPIUTB-UHFFFAOYSA-N 1 0 392.237 1.876 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(OC(F)F)cc1 ZINC000179601945 530744864 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C[C@H]([NH3+])C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000178820812 530728655 /nfs/dbraw/zinc/72/86/55/530728655.db2.gz XTAOXHBWQIKQRO-JTQLQIEISA-N 1 0 379.935 1.608 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Br)C1 ZINC000178939001 530731604 /nfs/dbraw/zinc/73/16/04/530731604.db2.gz LHFMYHCWQBRHJU-JTQLQIEISA-N 1 0 391.287 1.466 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)N(C)[C@H]3CC[NH2+]C3)CC2=O)ccc1Br ZINC000179089707 530734940 /nfs/dbraw/zinc/73/49/40/530734940.db2.gz WYVBYMHDDPVYPM-JSGCOSHPSA-N 1 0 380.286 1.931 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccnc3Br)CC[C@@H]21 ZINC000179892044 530752201 /nfs/dbraw/zinc/75/22/01/530752201.db2.gz AFZMTFAMLGYPEE-YPMHNXCESA-N 1 0 381.274 1.725 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)s1 ZINC000065477296 530754596 /nfs/dbraw/zinc/75/45/96/530754596.db2.gz YAZGZRVLRJJKMJ-ZDUSSCGKSA-N 1 0 388.559 1.576 20 0 GDADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000180055150 530755838 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COc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)nc1Br ZINC000181251024 530780046 /nfs/dbraw/zinc/78/00/46/530780046.db2.gz YYBRJYCZIWDCCP-UHFFFAOYSA-N 1 0 384.274 1.790 20 0 GDADRO C[NH+]1CCN(C[C@@H](NC(=O)CSc2nncs2)c2ccccc2)CC1 ZINC000068023858 530782505 /nfs/dbraw/zinc/78/25/05/530782505.db2.gz WQTHGFCDCDTHRR-OAHLLOKOSA-N 1 0 377.539 1.735 20 0 GDADRO NC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000181459269 530783731 /nfs/dbraw/zinc/78/37/31/530783731.db2.gz XACWFSRHWXUUGE-UHFFFAOYSA-N 1 0 397.317 1.918 20 0 GDADRO COc1ccsc1S(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181472788 530784527 /nfs/dbraw/zinc/78/45/27/530784527.db2.gz CERVGQRFHANVJG-HNNXBMFYSA-N 1 0 382.507 1.802 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000066595885 530764819 /nfs/dbraw/zinc/76/48/19/530764819.db2.gz CIHVOSJPEVMDAW-ZDUSSCGKSA-N 1 0 388.559 1.849 20 0 GDADRO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000066664900 530765364 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O=S1(=O)CCC[C@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000069144456 530796084 /nfs/dbraw/zinc/79/60/84/530796084.db2.gz BOQOUOKJIDGIHB-QWHCGFSZSA-N 1 0 378.288 1.356 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000069191208 530796376 /nfs/dbraw/zinc/79/63/76/530796376.db2.gz YRHQNIAMVBCRRC-JKSUJKDBSA-N 1 0 387.571 1.467 20 0 GDADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000102924223 530831457 /nfs/dbraw/zinc/83/14/57/530831457.db2.gz IIROILKSFGCCFV-LLVKDONJSA-N 1 0 384.274 1.889 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)CC(C)C ZINC000079128454 530807941 /nfs/dbraw/zinc/80/79/41/530807941.db2.gz SZHPAPRRQRJDSL-JKSUJKDBSA-N 1 0 376.567 1.466 20 0 GDADRO O=S(=O)(N[C@H]1CC[NH2+]C1)c1ccc(OC(F)(F)F)cc1Br ZINC000183126896 530809940 /nfs/dbraw/zinc/80/99/40/530809940.db2.gz NURPZIFLVXNFBQ-ZETCQYMHSA-N 1 0 389.193 1.988 20 0 GDADRO COC(=O)CN1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000183252874 530812087 /nfs/dbraw/zinc/81/20/87/530812087.db2.gz LPKDGBKORDEAKH-UHFFFAOYSA-N 1 0 398.301 1.406 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000183265188 530812724 /nfs/dbraw/zinc/81/27/24/530812724.db2.gz YGNCMJGIWWLXGK-LLVKDONJSA-N 1 0 377.304 1.592 20 0 GDADRO C[C@H](CNC(=O)c1cc2c(cc1Br)NC(=O)CO2)[N@H+](C)C1CC1 ZINC000183392736 530814167 /nfs/dbraw/zinc/81/41/67/530814167.db2.gz XRLKHLWRVMPBNO-SECBINFHSA-N 1 0 382.258 1.993 20 0 GDADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000183500122 530815729 /nfs/dbraw/zinc/81/57/29/530815729.db2.gz DTCUGUBJNMCVMQ-MRXNPFEDSA-N 1 0 388.295 1.913 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000094135379 530816552 /nfs/dbraw/zinc/81/65/52/530816552.db2.gz FFAXICVLMHDRAA-UHFFFAOYSA-N 1 0 398.301 1.685 20 0 GDADRO C[C@H](CNC(=O)c1cnn2cc(Br)cnc12)C[NH+]1CCN(C)CC1 ZINC000094134874 530816763 /nfs/dbraw/zinc/81/67/63/530816763.db2.gz POZKNRBWRNSHPD-GFCCVEGCSA-N 1 0 395.305 1.105 20 0 GDADRO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)C(C)C ZINC000183672880 530819521 /nfs/dbraw/zinc/81/95/21/530819521.db2.gz OKJWKWJVWGXGRR-ZDUSSCGKSA-N 1 0 389.237 1.590 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000183921208 530821969 /nfs/dbraw/zinc/82/19/69/530821969.db2.gz AQDUSAXWLZAUCJ-ZDUSSCGKSA-N 1 0 398.301 1.232 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc(I)ccc1C ZINC000183941155 530822276 /nfs/dbraw/zinc/82/22/76/530822276.db2.gz RAWMXBYHDBIYCZ-UHFFFAOYSA-N 1 0 376.238 1.644 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000183979877 530823113 /nfs/dbraw/zinc/82/31/13/530823113.db2.gz FFBHZESCDYQEAU-GFCCVEGCSA-N 1 0 388.295 1.777 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Br)cn1C ZINC000101697653 530825564 /nfs/dbraw/zinc/82/55/64/530825564.db2.gz UUDIMOOIDDWWKD-CYBMUJFWSA-N 1 0 385.306 1.460 20 0 GDADRO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916687 530826452 /nfs/dbraw/zinc/82/64/52/530826452.db2.gz HMWDCXKLYSWJLO-SNVBAGLBSA-N 1 0 397.273 1.683 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3F)C2)CC1 ZINC000106893860 530850667 /nfs/dbraw/zinc/85/06/67/530850667.db2.gz OKFWZSKJUNPHDJ-AWEZNQCLSA-N 1 0 375.897 1.880 20 0 GDADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000107301342 530852916 /nfs/dbraw/zinc/85/29/16/530852916.db2.gz GVBISIIRPRLIKI-CYBMUJFWSA-N 1 0 381.420 1.633 20 0 GDADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000186312880 530854931 /nfs/dbraw/zinc/85/49/31/530854931.db2.gz WWCCKNGYWODMLO-UHFFFAOYSA-N 1 0 392.518 1.582 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cnn(CC(F)F)c1)N1CCc2sccc2C1 ZINC000186329917 530855055 /nfs/dbraw/zinc/85/50/55/530855055.db2.gz GFWFGPPPXCMMOJ-NSHDSACASA-N 1 0 390.481 1.935 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 ZINC000108346876 530856697 /nfs/dbraw/zinc/85/66/97/530856697.db2.gz WJIAPWXTKDITGU-AWEZNQCLSA-N 1 0 385.555 1.533 20 0 GDADRO Nc1c(Br)cc(Br)cc1CN1CC[NH+](CCO)CC1 ZINC000186582056 530858173 /nfs/dbraw/zinc/85/81/73/530858173.db2.gz WQKHJVGXPAIZRZ-UHFFFAOYSA-N 1 0 393.123 1.904 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000186786634 530862200 /nfs/dbraw/zinc/86/22/00/530862200.db2.gz MVUZTEFTPLLOMB-HZMBPMFUSA-N 1 0 379.258 1.273 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000186793148 530862421 /nfs/dbraw/zinc/86/24/21/530862421.db2.gz NBSUYIVUZCPASU-CMPLNLGQSA-N 1 0 382.258 1.289 20 0 GDADRO CCN(CCC[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC)S(C)(=O)=O ZINC000187153350 530868362 /nfs/dbraw/zinc/86/83/62/530868362.db2.gz ANKVQJUZSLSZOH-UHFFFAOYSA-N 1 0 396.962 1.895 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 ZINC000110650457 530868582 /nfs/dbraw/zinc/86/85/82/530868582.db2.gz WPSBUSHPJHFFCE-GFCCVEGCSA-N 1 0 396.285 1.633 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1Br ZINC000187389036 530872206 /nfs/dbraw/zinc/87/22/06/530872206.db2.gz BACUZEWZWMNPIY-CYBMUJFWSA-N 1 0 397.317 1.530 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c(C)s1 ZINC000187382682 530872464 /nfs/dbraw/zinc/87/24/64/530872464.db2.gz PPJLYQHZRRDJEX-LBPRGKRZSA-N 1 0 394.584 1.446 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)CCN1CC(F)(F)F ZINC000111194158 530872668 /nfs/dbraw/zinc/87/26/68/530872668.db2.gz GDGMZOVYKDNQTD-OLZOCXBDSA-N 1 0 377.432 1.874 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000187408879 530872811 /nfs/dbraw/zinc/87/28/11/530872811.db2.gz SXCYYEVQBRQAQV-UHFFFAOYSA-N 1 0 378.470 1.962 20 0 GDADRO COC(C[N@H+](CCCO)C[C@H](O)c1ccc(F)c(Br)c1)OC ZINC000187467061 530872935 /nfs/dbraw/zinc/87/29/35/530872935.db2.gz YPNGCOWZNPXXML-AWEZNQCLSA-N 1 0 380.254 1.925 20 0 GDADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000104413559 530838479 /nfs/dbraw/zinc/83/84/79/530838479.db2.gz PSZFQDYRGCLPKD-NSHDSACASA-N 1 0 379.935 1.623 20 0 GDADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000185336064 530840337 /nfs/dbraw/zinc/84/03/37/530840337.db2.gz ZKDKDXGSBGPYRW-ZDUSSCGKSA-N 1 0 387.933 1.847 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000185343443 530840635 /nfs/dbraw/zinc/84/06/35/530840635.db2.gz OYZSSVLKRBSYND-NSHDSACASA-N 1 0 381.329 1.693 20 0 GDADRO C[C@@H](CNC(=O)N1CCSC[C@H]1c1nccs1)C[NH+]1CCN(C)CC1 ZINC000185462747 530842682 /nfs/dbraw/zinc/84/26/82/530842682.db2.gz YJWQFHCWXUCURE-GJZGRUSLSA-N 1 0 383.587 1.826 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000115436047 530899778 /nfs/dbraw/zinc/89/97/78/530899778.db2.gz GFJSKZMMXUPXAF-AWEZNQCLSA-N 1 0 385.555 1.946 20 0 GDADRO C[S@](=O)Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)ccc1Cl ZINC000115868041 530902087 /nfs/dbraw/zinc/90/20/87/530902087.db2.gz ZRNDFFFKHQKBIG-RUZDIDTESA-N 1 0 385.917 1.759 20 0 GDADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000116158720 530903133 /nfs/dbraw/zinc/90/31/33/530903133.db2.gz OQOCWUJAHLVFPQ-UHFFFAOYSA-N 1 0 388.555 1.632 20 0 GDADRO CS(=O)(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000116889607 530909285 /nfs/dbraw/zinc/90/92/85/530909285.db2.gz SJNJEJOSYRQMLP-ZDUSSCGKSA-N 1 0 390.303 1.401 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)Oc1ccccc1Br ZINC000112295770 530880488 /nfs/dbraw/zinc/88/04/88/530880488.db2.gz SWTJVWQFWDSKES-KGLIPLIRSA-N 1 0 384.318 1.969 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000112472936 530882105 /nfs/dbraw/zinc/88/21/05/530882105.db2.gz APMZFSCPCVIKDX-UHFFFAOYSA-N 1 0 398.301 1.423 20 0 GDADRO CC[N@H+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000112926461 530886533 /nfs/dbraw/zinc/88/65/33/530886533.db2.gz HJDDMCNOYRCHNR-UHFFFAOYSA-N 1 0 388.921 1.204 20 0 GDADRO COc1cc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c(Br)cc1O ZINC000113319251 530889353 /nfs/dbraw/zinc/88/93/53/530889353.db2.gz QIEPUZYNDFBEEV-UHFFFAOYSA-N 1 0 393.303 1.677 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(S(=O)(=O)NC)s1 ZINC000113407215 530889668 /nfs/dbraw/zinc/88/96/68/530889668.db2.gz FYDZMJNWZASFOF-CYBMUJFWSA-N 1 0 388.559 1.720 20 0 GDADRO C[C@H](CNC(=O)c1cc(Br)cnc1N(C)C)C[NH+]1CCN(C)CC1 ZINC000113447350 530890167 /nfs/dbraw/zinc/89/01/67/530890167.db2.gz VNIIVRDAJRYHOT-CYBMUJFWSA-N 1 0 398.349 1.523 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000114160120 530892376 /nfs/dbraw/zinc/89/23/76/530892376.db2.gz GUSNNMJFEATDNQ-AWEZNQCLSA-N 1 0 382.302 1.818 20 0 GDADRO C[NH+](C)C1(CNC(=O)CCn2cc(Br)ccc2=O)CCOCC1 ZINC000114054988 530892557 /nfs/dbraw/zinc/89/25/57/530892557.db2.gz DPDLVLOOKGRXHJ-UHFFFAOYSA-N 1 0 386.290 1.228 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000114399438 530895608 /nfs/dbraw/zinc/89/56/08/530895608.db2.gz GDVYTFZDXGEDTJ-LBPRGKRZSA-N 1 0 375.441 1.043 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000189553705 530916144 /nfs/dbraw/zinc/91/61/44/530916144.db2.gz YKLFXNAYAOKWIZ-NWDGAFQWSA-N 1 0 388.281 1.914 20 0 GDADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000118093472 530916329 /nfs/dbraw/zinc/91/63/29/530916329.db2.gz WGFOOUAPEDGFID-UHFFFAOYSA-N 1 0 380.246 1.251 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)Cc2cc(Br)ccc2F)CC1 ZINC000119223985 530923518 /nfs/dbraw/zinc/92/35/18/530923518.db2.gz CKQXRNQNNZPGPC-UHFFFAOYSA-N 1 0 386.265 1.363 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(Br)n1 ZINC000119486391 530926482 /nfs/dbraw/zinc/92/64/82/530926482.db2.gz CRPHBCQJNIDNNM-GXFFZTMASA-N 1 0 383.290 1.890 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC(=O)Nc2cc(Br)ccc2C)C1 ZINC000191917207 530957439 /nfs/dbraw/zinc/95/74/39/530957439.db2.gz QSIABDRGGNOWAX-GXTWGEPZSA-N 1 0 384.274 1.579 20 0 GDADRO CCN(CCC[NH2+]Cc1cc(Br)c(O)c(OC)c1)S(C)(=O)=O ZINC000121549224 530957882 /nfs/dbraw/zinc/95/78/82/530957882.db2.gz IDOBIQDEOPZSJT-UHFFFAOYSA-N 1 0 395.319 1.925 20 0 GDADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000191993901 530958548 /nfs/dbraw/zinc/95/85/48/530958548.db2.gz VWJULCWMQCDDFP-UHFFFAOYSA-N 1 0 388.964 1.767 20 0 GDADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@H](C)[NH3+] ZINC000191992292 530958975 /nfs/dbraw/zinc/95/89/75/530958975.db2.gz HVRXGTPRWXNUKL-MNOVXSKESA-N 1 0 394.324 1.810 20 0 GDADRO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000192034561 530959968 /nfs/dbraw/zinc/95/99/68/530959968.db2.gz BHFZCNAXWHABEK-NHCYSSNCSA-N 1 0 392.237 1.130 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000121786401 530962138 /nfs/dbraw/zinc/96/21/38/530962138.db2.gz ITFRPYUHEAEKNU-CYBMUJFWSA-N 1 0 386.543 1.426 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c(Br)o1 ZINC000120223934 530937742 /nfs/dbraw/zinc/93/77/42/530937742.db2.gz BQYFNMVUYDUFQP-VIFPVBQESA-N 1 0 395.275 1.543 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000190867136 530939203 /nfs/dbraw/zinc/93/92/03/530939203.db2.gz ZQEIFQIMHKPDJZ-UHFFFAOYSA-N 1 0 377.869 1.015 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc2nnc(SC[C@@H]3CC[N@H+](C)C3)n2c1 ZINC000191051208 530942639 /nfs/dbraw/zinc/94/26/39/530942639.db2.gz RAAGGTAVRMMUJZ-CYBMUJFWSA-N 1 0 383.543 1.804 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c(Br)o1 ZINC000120621618 530943632 /nfs/dbraw/zinc/94/36/32/530943632.db2.gz OTSALOYMXAXKRT-SECBINFHSA-N 1 0 395.275 1.401 20 0 GDADRO FC(F)(F)c1nnc(N2CCC[N@H+](CCCN3CCOCC3)CC2)s1 ZINC000191300470 530946823 /nfs/dbraw/zinc/94/68/23/530946823.db2.gz OEUPXCZJTCJSDC-UHFFFAOYSA-N 1 0 379.452 1.791 20 0 GDADRO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000120893234 530946830 /nfs/dbraw/zinc/94/68/30/530946830.db2.gz CLGQAEWENAOZDU-JKOKRWQUSA-N 1 0 377.222 1.798 20 0 GDADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000121200693 530952259 /nfs/dbraw/zinc/95/22/59/530952259.db2.gz IZKDTDSYHFVJLB-GJZGRUSLSA-N 1 0 376.544 1.419 20 0 GDADRO O=S(=O)(NCC[NH+]1CCCC1)c1cccc(I)c1 ZINC000191856311 530955238 /nfs/dbraw/zinc/95/52/38/530955238.db2.gz SMNUCZSTCUIIJB-UHFFFAOYSA-N 1 0 380.251 1.665 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)ccc1Br ZINC000122554363 530973254 /nfs/dbraw/zinc/97/32/54/530973254.db2.gz NHDLODRIGWAGFB-ZDUSSCGKSA-N 1 0 390.347 1.672 20 0 GDADRO CCN(CCc1nccs1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000192814041 530974242 /nfs/dbraw/zinc/97/42/42/530974242.db2.gz RZIYNURHDKIZMF-UHFFFAOYSA-N 1 0 385.559 1.771 20 0 GDADRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000193109686 530979466 /nfs/dbraw/zinc/97/94/66/530979466.db2.gz LACGENMNWRNEIY-UKRRQHHQSA-N 1 0 388.555 1.260 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c(OC)cc1Br ZINC000193233981 530982053 /nfs/dbraw/zinc/98/20/53/530982053.db2.gz ICIBDQKEXNUPQT-SECBINFHSA-N 1 0 379.276 1.497 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193245774 530982175 /nfs/dbraw/zinc/98/21/75/530982175.db2.gz NKLBJUDHGMDFIZ-LBPRGKRZSA-N 1 0 375.288 1.886 20 0 GDADRO Cc1nc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)ccc1Br ZINC000193250685 530982358 /nfs/dbraw/zinc/98/23/58/530982358.db2.gz HQVUNEPZNNVZCG-UHFFFAOYSA-N 1 0 399.289 1.318 20 0 GDADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Br)C1 ZINC000193328289 530984264 /nfs/dbraw/zinc/98/42/64/530984264.db2.gz PJDOTWCTQUHABU-LLVKDONJSA-N 1 0 391.287 1.608 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)c2ncc(Br)s2)CC1 ZINC000192420993 530967185 /nfs/dbraw/zinc/96/71/85/530967185.db2.gz RCLTWARFMZWHPF-UHFFFAOYSA-N 1 0 375.336 1.909 20 0 GDADRO Cn1nc(Br)cc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000192355419 530967629 /nfs/dbraw/zinc/96/76/29/530967629.db2.gz RMPOTCCPFYZMFK-UHFFFAOYSA-N 1 0 398.349 1.863 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000122222231 530968438 /nfs/dbraw/zinc/96/84/38/530968438.db2.gz WHKMLPFRUMDFKL-GFCCVEGCSA-N 1 0 387.311 1.932 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192543086 530969542 /nfs/dbraw/zinc/96/95/42/530969542.db2.gz CRFWLDFRQOCNJO-UHFFFAOYSA-N 1 0 386.265 1.759 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000122322472 530969653 /nfs/dbraw/zinc/96/96/53/530969653.db2.gz PTNHDFMFSLYUPJ-DGCLKSJQSA-N 1 0 381.274 1.725 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)s1 ZINC000193814948 530993358 /nfs/dbraw/zinc/99/33/58/530993358.db2.gz BNUAPEQRZCVORF-UHFFFAOYSA-N 1 0 385.555 1.579 20 0 GDADRO C[C@H](C(=O)N(C)C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000193858639 530994691 /nfs/dbraw/zinc/99/46/91/530994691.db2.gz XOTDXVYCXYBLRD-CYBMUJFWSA-N 1 0 375.922 1.510 20 0 GDADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CNC(=O)C[NH3+] ZINC000124488011 530996637 /nfs/dbraw/zinc/99/66/37/530996637.db2.gz XIAUQCMBFZLJKZ-UHFFFAOYSA-N 1 0 375.256 1.245 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000193403908 530986278 /nfs/dbraw/zinc/98/62/78/530986278.db2.gz HVDCZDLYQSLRCM-GWCFXTLKSA-N 1 0 376.320 1.791 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000193416859 530986311 /nfs/dbraw/zinc/98/63/11/530986311.db2.gz IIYCRMFBXHOCFS-GWCFXTLKSA-N 1 0 379.404 1.255 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCc1cc(Br)ccc1F ZINC000123717842 530987373 /nfs/dbraw/zinc/98/73/73/530987373.db2.gz GCSSSGIJIVQQES-HNNXBMFYSA-N 1 0 376.270 1.743 20 0 GDADRO O=C(CCN1CCCS1(=O)=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000194453820 531005435 /nfs/dbraw/zinc/00/54/35/531005435.db2.gz FCAJVOLBGQKDQK-UHFFFAOYSA-N 1 0 385.917 1.410 20 0 GDADRO O=C(NCCC[NH2+]C1CCCCC1)NCCNS(=O)(=O)c1cccs1 ZINC000125466961 531006793 /nfs/dbraw/zinc/00/67/93/531006793.db2.gz PULYMXHOBXBEID-UHFFFAOYSA-N 1 0 388.559 1.638 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000194712558 531008481 /nfs/dbraw/zinc/00/84/81/531008481.db2.gz MMHMKUCLKPJKQC-ZDUSSCGKSA-N 1 0 393.285 1.760 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CC2(CO)COC2)CC1 ZINC000125629117 531008635 /nfs/dbraw/zinc/00/86/35/531008635.db2.gz YHGRKQNHPLXRNM-UHFFFAOYSA-N 1 0 384.274 1.504 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000194748526 531009138 /nfs/dbraw/zinc/00/91/38/531009138.db2.gz FZSBBTPVIJAQHX-UHFFFAOYSA-N 1 0 382.507 1.381 20 0 GDADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1csc(CC[NH3+])n1)CC2 ZINC000194813368 531010448 /nfs/dbraw/zinc/01/04/48/531010448.db2.gz ZQTFONOIIAVHJO-UHFFFAOYSA-N 1 0 380.495 1.145 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)NCC[NH+]2CCCC2)cc1OC ZINC000194820246 531010656 /nfs/dbraw/zinc/01/06/56/531010656.db2.gz GMOJTOPZWOIYEI-UHFFFAOYSA-N 1 0 393.303 1.840 20 0 GDADRO CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@H](C)[NH3+] ZINC000194868066 531011296 /nfs/dbraw/zinc/01/12/96/531011296.db2.gz NGGMXHDXDYHTLR-GXFFZTMASA-N 1 0 392.319 1.215 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3c(F)cc(Br)cc3F)C[C@H]2C1 ZINC000194926574 531011587 /nfs/dbraw/zinc/01/15/87/531011587.db2.gz YQACFQISQSPCQD-DTORHVGOSA-N 1 0 388.212 1.686 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000194940514 531012051 /nfs/dbraw/zinc/01/20/51/531012051.db2.gz LNIKKSIEDCOBRB-MRVPVSSYSA-N 1 0 387.811 1.491 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000195054570 531013828 /nfs/dbraw/zinc/01/38/28/531013828.db2.gz JMQHFLUMXKEKQS-HNNXBMFYSA-N 1 0 398.301 1.957 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195303355 531020008 /nfs/dbraw/zinc/02/00/08/531020008.db2.gz IIAXREVSSLGGQV-AOOOYVTPSA-N 1 0 378.235 1.131 20 0 GDADRO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(Br)n1 ZINC000127614895 531031747 /nfs/dbraw/zinc/03/17/47/531031747.db2.gz LNBFVUPRXAAKIP-CQSZACIVSA-N 1 0 397.317 1.825 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000127706237 531033460 /nfs/dbraw/zinc/03/34/60/531033460.db2.gz FUDLBUFASOHIMB-JQWIXIFHSA-N 1 0 375.288 1.337 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194274920 531002733 /nfs/dbraw/zinc/00/27/33/531002733.db2.gz VQWBMDLYSNIMBY-MLGOLLRUSA-N 1 0 382.302 1.505 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000130513156 531061360 /nfs/dbraw/zinc/06/13/60/531061360.db2.gz QGNKYJJKVLEFFK-DYEKYZERSA-N 1 0 386.484 1.166 20 0 GDADRO C[C@H](CNC(=O)NCCNS(=O)(=O)c1cccs1)[N@@H+]1CCC[C@H](C)C1 ZINC000246507225 531067636 /nfs/dbraw/zinc/06/76/36/531067636.db2.gz TTWKTCKGYXAUEE-UONOGXRCSA-N 1 0 388.559 1.446 20 0 GDADRO CC(C)([NH3+])CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000236595405 531038002 /nfs/dbraw/zinc/03/80/02/531038002.db2.gz CMUQLOKNXKURFV-UHFFFAOYSA-N 1 0 375.441 1.219 20 0 GDADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000236676873 531038894 /nfs/dbraw/zinc/03/88/94/531038894.db2.gz IXDGGAQGVKAUAN-LBPRGKRZSA-N 1 0 381.420 1.775 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000236723005 531039463 /nfs/dbraw/zinc/03/94/63/531039463.db2.gz SLMGFWIGVBMWPW-DGCLKSJQSA-N 1 0 397.273 1.010 20 0 GDADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000236718742 531039806 /nfs/dbraw/zinc/03/98/06/531039806.db2.gz XBVJLNOBHYCNSU-OAHLLOKOSA-N 1 0 396.285 1.615 20 0 GDADRO CC(C)([NH3+])CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000236832052 531040161 /nfs/dbraw/zinc/04/01/61/531040161.db2.gz RYXAPUOLLFCYMC-UHFFFAOYSA-N 1 0 394.324 1.954 20 0 GDADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236766052 531040212 /nfs/dbraw/zinc/04/02/12/531040212.db2.gz LEHJKASSOFXHDP-ZDUSSCGKSA-N 1 0 393.285 1.807 20 0 GDADRO COc1cc(I)c(C(=O)N2CC[C@@H]([NH3+])C2)cc1OC ZINC000237119467 531042425 /nfs/dbraw/zinc/04/24/25/531042425.db2.gz KBDRSJQKGFHRDI-MRVPVSSYSA-N 1 0 376.194 1.482 20 0 GDADRO C[NH2+]CCNC(=O)[C@H](CCSC)NC(=O)c1ccccc1Br ZINC000237075875 531042438 /nfs/dbraw/zinc/04/24/38/531042438.db2.gz WZRKQLHLCVCJGY-ZDUSSCGKSA-N 1 0 388.331 1.636 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000128562926 531042448 /nfs/dbraw/zinc/04/24/48/531042448.db2.gz AQFWFRBXSRJFEC-CHWSQXEVSA-N 1 0 380.242 1.431 20 0 GDADRO C[NH2+]CCCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000237141448 531043075 /nfs/dbraw/zinc/04/30/75/531043075.db2.gz VUWRKNZXSMLBMN-UHFFFAOYSA-N 1 0 394.324 1.826 20 0 GDADRO COC(=O)C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000237217823 531043902 /nfs/dbraw/zinc/04/39/02/531043902.db2.gz ZKPUUBYSYFBYQX-CABCVRRESA-N 1 0 399.285 1.938 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000237220025 531044220 /nfs/dbraw/zinc/04/42/20/531044220.db2.gz GUOXRLYDXZHKRV-LLVKDONJSA-N 1 0 394.324 1.872 20 0 GDADRO COCC[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000237295888 531044784 /nfs/dbraw/zinc/04/47/84/531044784.db2.gz RTOSFEGOOZAQBY-HNNXBMFYSA-N 1 0 388.295 1.950 20 0 GDADRO COc1cc(C(=O)NCCCN2CC[NH2+]CC2)cc(OC)c1Br ZINC000237252779 531044805 /nfs/dbraw/zinc/04/48/05/531044805.db2.gz UZJWYAXKIOSOFR-UHFFFAOYSA-N 1 0 386.290 1.491 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CN1c2ccc(Br)cc2OCC1=O ZINC000237422631 531046042 /nfs/dbraw/zinc/04/60/42/531046042.db2.gz LQMMENLAYFRMDF-AAEUAGOBSA-N 1 0 396.285 1.903 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000237536292 531047734 /nfs/dbraw/zinc/04/77/34/531047734.db2.gz XPFKWXOHDHVZCZ-MFKMUULPSA-N 1 0 377.304 1.258 20 0 GDADRO Cc1c(C(=O)N2CCC[C@@H](C[NH3+])C2)cc(Br)cc1S(N)(=O)=O ZINC000237747599 531049485 /nfs/dbraw/zinc/04/94/85/531049485.db2.gz NNHHOQKXBAVWSB-JTQLQIEISA-N 1 0 390.303 1.216 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000237767137 531049987 /nfs/dbraw/zinc/04/99/87/531049987.db2.gz HHXRLRDUGNFIDJ-ZDUSSCGKSA-N 1 0 385.917 1.996 20 0 GDADRO O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC[NH2+]CC1 ZINC000237776050 531050212 /nfs/dbraw/zinc/05/02/12/531050212.db2.gz PSZWLTIZOXBYOT-UHFFFAOYSA-N 1 0 385.917 1.563 20 0 GDADRO [NH3+]CC1(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CCCC1 ZINC000237779606 531050254 /nfs/dbraw/zinc/05/02/54/531050254.db2.gz IXXQPWBRHAOFAJ-UHFFFAOYSA-N 1 0 380.242 1.433 20 0 GDADRO [NH3+]C1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1 ZINC000237844949 531050749 /nfs/dbraw/zinc/05/07/49/531050749.db2.gz CTHNTRCZLPSURO-UHFFFAOYSA-N 1 0 385.536 1.851 20 0 GDADRO O=C(c1ccc(S(=O)(=O)NCc2cccs2)cc1)N1CCC[NH2+]CC1 ZINC000237874008 531051224 /nfs/dbraw/zinc/05/12/24/531051224.db2.gz ZYYHCZVGQQVYLI-UHFFFAOYSA-N 1 0 379.507 1.662 20 0 GDADRO O=C([C@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000237873449 531051253 /nfs/dbraw/zinc/05/12/53/531051253.db2.gz MLLSYRBPKAGJFK-GFCCVEGCSA-N 1 0 392.308 1.578 20 0 GDADRO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCC[NH2+]1 ZINC000237851228 531051303 /nfs/dbraw/zinc/05/13/03/531051303.db2.gz NGKVINXMRCTCDN-LBPRGKRZSA-N 1 0 379.404 1.242 20 0 GDADRO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CCC[NH2+]C1 ZINC000237851335 531051642 /nfs/dbraw/zinc/05/16/42/531051642.db2.gz ZIPIQYMXVODCDS-NSHDSACASA-N 1 0 379.404 1.100 20 0 GDADRO [NH3+]C1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCCC1 ZINC000237897373 531052371 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GDADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)[C@H]1c1cccs1 ZINC000247407054 531074485 /nfs/dbraw/zinc/07/44/85/531074485.db2.gz MYSQWKUJVATTQH-YCPHGPKFSA-N 1 0 385.555 1.671 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1 ZINC000132528084 531081136 /nfs/dbraw/zinc/08/11/36/531081136.db2.gz XWANSFUNAYIOFT-VIFPVBQESA-N 1 0 388.287 1.063 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ncc1Br ZINC000248747094 531082007 /nfs/dbraw/zinc/08/20/07/531082007.db2.gz SJAZZGIXGKIFGE-DGCLKSJQSA-N 1 0 383.290 1.890 20 0 GDADRO O=C(CCNC(=O)C[C@@H]1CSCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000132589909 531082096 /nfs/dbraw/zinc/08/20/96/531082096.db2.gz TVEDNLRVKUJNMR-CYBMUJFWSA-N 1 0 386.315 1.989 20 0 GDADRO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000248953025 531083055 /nfs/dbraw/zinc/08/30/55/531083055.db2.gz BHFZCNAXWHABEK-JBLDHEPKSA-N 1 0 392.237 1.130 20 0 GDADRO Brc1cc2c(cc1CN1CCN([C@@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000261978350 531104397 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GDADRO COc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1Br ZINC000266810822 531370854 /nfs/dbraw/zinc/37/08/54/531370854.db2.gz FYTNTKJRIBJEPJ-NSHDSACASA-N 1 0 384.274 1.806 20 0 GDADRO O=C(Nc1cc(Br)ccn1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000528685809 531370947 /nfs/dbraw/zinc/37/09/47/531370947.db2.gz DMABLCBVVNCJOC-UHFFFAOYSA-N 1 0 397.277 1.019 20 0 GDADRO O=C(NCCNC(=O)C12CCC[NH+]1CCC2)c1cccc(Br)c1 ZINC000278779019 531388054 /nfs/dbraw/zinc/38/80/54/531388054.db2.gz HGRBIELXPDRLNW-UHFFFAOYSA-N 1 0 380.286 1.924 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)c2cnn3cc(Br)cnc23)CCCO1 ZINC000278780771 531388581 /nfs/dbraw/zinc/38/85/81/531388581.db2.gz YGMZBIMFSPBFPD-LBPRGKRZSA-N 1 0 396.289 1.723 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(c3cnn(-c4ccccn4)c(=O)c3Br)C2)C1 ZINC000293009655 531394217 /nfs/dbraw/zinc/39/42/17/531394217.db2.gz IEBUTLFLHBLOAX-KRWDZBQOSA-N 1 0 390.285 1.922 20 0 GDADRO Cc1ccc([C@H]([NH2+]C[C@H](O)COCC(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC000293006163 531394337 /nfs/dbraw/zinc/39/43/37/531394337.db2.gz UACFWOCTCHSDTN-AEGPPILISA-N 1 0 383.432 1.999 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CC[C@H](CO)C2)c1 ZINC000266914191 531377113 /nfs/dbraw/zinc/37/71/13/531377113.db2.gz KBXDWPWDIJCWDQ-LBPRGKRZSA-N 1 0 389.905 1.233 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(Cl)c3nonc32)CC1 ZINC000292787435 531378559 /nfs/dbraw/zinc/37/85/59/531378559.db2.gz RHGYUNWVYMGENZ-UHFFFAOYSA-N 1 0 388.877 1.390 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000442917697 531380407 /nfs/dbraw/zinc/38/04/07/531380407.db2.gz DZXVZVAGJLRAAE-UHFFFAOYSA-N 1 0 375.579 1.778 20 0 GDADRO O=C(NCCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccc(Br)cc1 ZINC000444157954 531396369 /nfs/dbraw/zinc/39/63/69/531396369.db2.gz HKAZYDJFYXNLDO-WMLDXEAASA-N 1 0 380.286 1.685 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000482504669 531399150 /nfs/dbraw/zinc/39/91/50/531399150.db2.gz DYCQICPBSVFMLR-UHFFFAOYSA-N 1 0 393.437 1.827 20 0 GDADRO COc1cccc(C[C@H](C)[NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)n1 ZINC000482520972 531400211 /nfs/dbraw/zinc/40/02/11/531400211.db2.gz YDHJJTRIXSDKMM-JTQLQIEISA-N 1 0 386.499 1.060 20 0 GDADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)c(OC)c1 ZINC000482510861 531400344 /nfs/dbraw/zinc/40/03/44/531400344.db2.gz NDDPXPCLSMILED-UHFFFAOYSA-N 1 0 387.483 1.242 20 0 GDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N(CCO)Cc1ccc(Br)s1 ZINC000482975926 531404716 /nfs/dbraw/zinc/40/47/16/531404716.db2.gz IYSSLZHUZVLJQL-ZDUSSCGKSA-N 1 0 388.331 1.221 20 0 GDADRO COc1cc(C[NH2+]C[C@@]2(N(C)C)CCSC2)cc(Cl)c1OCC(N)=O ZINC000531121537 531405581 /nfs/dbraw/zinc/40/55/81/531405581.db2.gz DZMAQRNCKPBOPL-KRWDZBQOSA-N 1 0 387.933 1.740 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)C[NH+](C)C ZINC000293185931 531407211 /nfs/dbraw/zinc/40/72/11/531407211.db2.gz NJQFKDZWSCPIPP-SNVBAGLBSA-N 1 0 383.290 1.974 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)NCc2cc(F)c(Cl)cc2F)CC[N@H+](C)C1 ZINC000413508485 531408827 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GDADRO [NH3+]CCNC(=O)c1ccccc1NC(=O)c1n[nH]c(C2CC2)c1Br ZINC000279117257 531413992 /nfs/dbraw/zinc/41/39/92/531413992.db2.gz ZHGUNEMGEPVTHN-UHFFFAOYSA-N 1 0 392.257 1.990 20 0 GDADRO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000447056673 531414368 /nfs/dbraw/zinc/41/43/68/531414368.db2.gz MOCBVQKMRNKSDY-VXNVDRBHSA-N 1 0 389.275 1.437 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000293331572 531415433 /nfs/dbraw/zinc/41/54/33/531415433.db2.gz DCEMWIMJUSLLOV-UHFFFAOYSA-N 1 0 393.285 1.821 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cccc(I)c2)C1 ZINC000447240669 531421182 /nfs/dbraw/zinc/42/11/82/531421182.db2.gz SEXRCDLFVKFSIL-VHSXEESVSA-N 1 0 380.251 1.649 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N[C@H](C)CC[NH3+] ZINC000447253047 531423238 /nfs/dbraw/zinc/42/32/38/531423238.db2.gz VSPODVQFFULBRJ-CQSZACIVSA-N 1 0 389.543 1.185 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)COc2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413914313 531422717 /nfs/dbraw/zinc/42/27/17/531422717.db2.gz GLTZREZCLCNVNE-LBPRGKRZSA-N 1 0 385.258 1.391 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000447253589 531423108 /nfs/dbraw/zinc/42/31/08/531423108.db2.gz ZOJSOYGZBSDKAF-NEPJUHHUSA-N 1 0 393.506 1.335 20 0 GDADRO COC[C@@H](C)OC[C@H](O)CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000447272397 531423827 /nfs/dbraw/zinc/42/38/27/531423827.db2.gz ROUIQXUWHBSIOX-GHMZBOCLSA-N 1 0 384.424 1.091 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cnn(C)c1I ZINC000293491447 531424637 /nfs/dbraw/zinc/42/46/37/531424637.db2.gz NCSCVECCLIIWKH-SNVBAGLBSA-N 1 0 376.242 1.629 20 0 GDADRO O=S(=O)(CC[NH2+]C1(CO)CCOCC1)c1cccc(Br)c1 ZINC000267447237 531426218 /nfs/dbraw/zinc/42/62/18/531426218.db2.gz KMOKUWOCGSAEID-UHFFFAOYSA-N 1 0 378.288 1.354 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CC[C@H](C)Sc3ccccc32)C1 ZINC000533545487 531430900 /nfs/dbraw/zinc/43/09/00/531430900.db2.gz AFWAMOPMBOQLCS-UONOGXRCSA-N 1 0 383.539 1.527 20 0 GDADRO O=C1NCCN1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000533032745 531428113 /nfs/dbraw/zinc/42/81/13/531428113.db2.gz LGNJHEULKQXILZ-LSDHHAIUSA-N 1 0 398.301 1.678 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000293556936 531428256 /nfs/dbraw/zinc/42/82/56/531428256.db2.gz ZMKXMUBBYVAASP-ZDUSSCGKSA-N 1 0 384.322 1.425 20 0 GDADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cnn(C)c1I ZINC000293572042 531429218 /nfs/dbraw/zinc/42/92/18/531429218.db2.gz HAVMZBHJCGFYAC-MNOVXSKESA-N 1 0 388.253 1.724 20 0 GDADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@H](O)COC1CCOCC1 ZINC000485131350 531429705 /nfs/dbraw/zinc/42/97/05/531429705.db2.gz ITZQYPNJFWZTOY-LBPRGKRZSA-N 1 0 394.331 1.861 20 0 GDADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cncc(Br)c3)n2)CC1 ZINC000350912683 531429784 /nfs/dbraw/zinc/42/97/84/531429784.db2.gz AFCLCVYKHRZXIW-UHFFFAOYSA-N 1 0 394.273 1.989 20 0 GDADRO Cc1ccc(F)c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1Br ZINC000279490523 531436455 /nfs/dbraw/zinc/43/64/55/531436455.db2.gz LREYGTNNTHVOGM-UHFFFAOYSA-N 1 0 386.265 1.743 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)ccc1Cl ZINC000293628339 531433025 /nfs/dbraw/zinc/43/30/25/531433025.db2.gz IJVBXUYLCNLRTI-UHFFFAOYSA-N 1 0 385.917 1.806 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447905552 531440747 /nfs/dbraw/zinc/44/07/47/531440747.db2.gz MSGJKOMBVFSTMV-QWHCGFSZSA-N 1 0 377.304 1.599 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(F)c(F)cc1F ZINC000360454330 531440299 /nfs/dbraw/zinc/44/02/99/531440299.db2.gz IMGYKSHCBOLGMW-VCTAVGKDSA-N 1 0 378.416 1.976 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)s1 ZINC000486123086 531446468 /nfs/dbraw/zinc/44/64/68/531446468.db2.gz PCSSGMCTFOPYJL-HIFRSBDPSA-N 1 0 387.571 1.635 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000486097546 531446620 /nfs/dbraw/zinc/44/66/20/531446620.db2.gz PWOXJESPLDTMDV-UHFFFAOYSA-N 1 0 376.906 1.862 20 0 GDADRO CC[NH+](CC)CCS[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000267722940 531447010 /nfs/dbraw/zinc/44/70/10/531447010.db2.gz VJOGNQVIAZWMRP-CQSZACIVSA-N 1 0 387.571 1.456 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1=O ZINC000360622114 531442486 /nfs/dbraw/zinc/44/24/86/531442486.db2.gz UGEICOJKYHNVAI-KGLIPLIRSA-N 1 0 399.289 1.211 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1sc(S(N)(=O)=O)c(C)c1Cl ZINC000279570663 531442526 /nfs/dbraw/zinc/44/25/26/531442526.db2.gz ZJQYJJPOBFUTAI-UHFFFAOYSA-N 1 0 383.923 1.008 20 0 GDADRO C[C@H](O)CC(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414356978 531443701 /nfs/dbraw/zinc/44/37/01/531443701.db2.gz HPKGYSWKOZQDTF-JTQLQIEISA-N 1 0 379.320 1.983 20 0 GDADRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414361619 531443709 /nfs/dbraw/zinc/44/37/09/531443709.db2.gz SYVVJFWMJUKNHA-ZIAGYGMSSA-N 1 0 377.304 1.737 20 0 GDADRO Cn1ncc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1I ZINC000293797121 531444776 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GDADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000362067144 531456293 /nfs/dbraw/zinc/45/62/93/531456293.db2.gz PBYUQLRMPYCEJB-JYJNAYRXSA-N 1 0 382.302 1.507 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccccc3S(C)(=O)=O)C2)CC1 ZINC000362175107 531457345 /nfs/dbraw/zinc/45/73/45/531457345.db2.gz BEYZGOJDRHXFFE-OAHLLOKOSA-N 1 0 386.539 1.443 20 0 GDADRO O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000361330899 531448881 /nfs/dbraw/zinc/44/88/81/531448881.db2.gz JTLJPSFSEFCXLY-CABCVRRESA-N 1 0 383.539 1.598 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1nc2ccc(Br)cn2n1 ZINC000414398769 531449315 /nfs/dbraw/zinc/44/93/15/531449315.db2.gz KBEMSWLAKQPDFZ-LBPRGKRZSA-N 1 0 382.262 1.068 20 0 GDADRO COC(=O)c1c(Br)ccc(NC(=O)C(=O)N2CCC[NH2+]CC2)c1C ZINC000415312570 531473772 /nfs/dbraw/zinc/47/37/72/531473772.db2.gz CTNBIPMGDFSDNF-UHFFFAOYSA-N 1 0 398.257 1.305 20 0 GDADRO C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000449729915 531475120 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CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cncc(Br)c1 ZINC000267891055 531459937 /nfs/dbraw/zinc/45/99/37/531459937.db2.gz RYMXWICSUYVRAH-LBPRGKRZSA-N 1 0 380.308 1.479 20 0 GDADRO CC[NH2+]CCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000414679918 531461413 /nfs/dbraw/zinc/46/14/13/531461413.db2.gz MDZYSVPLWIKLCA-UHFFFAOYSA-N 1 0 390.893 1.092 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362689610 531462345 /nfs/dbraw/zinc/46/23/45/531462345.db2.gz QBNNFLWNOVUONL-TZMCWYRMSA-N 1 0 389.953 1.028 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(S(=O)(=O)NC)ccc1Cl ZINC000267967236 531464503 /nfs/dbraw/zinc/46/45/03/531464503.db2.gz LVCBINIGZFCRJF-GFCCVEGCSA-N 1 0 391.921 1.335 20 0 GDADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415129529 531465217 /nfs/dbraw/zinc/46/52/17/531465217.db2.gz ZHIBGLABSUSAEM-SSDOTTSWSA-N 1 0 385.152 1.353 20 0 GDADRO O=C(NCCSCC(F)(F)F)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415052306 531465922 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COc1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1NS(C)(=O)=O ZINC000415215041 531468229 /nfs/dbraw/zinc/46/82/29/531468229.db2.gz QFGWZAKPCBLYPI-GFCCVEGCSA-N 1 0 378.401 1.185 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC000449252669 531468861 /nfs/dbraw/zinc/46/88/61/531468861.db2.gz REUGKWQVACUBPK-UHFFFAOYSA-N 1 0 388.555 1.630 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)C1 ZINC000415272821 531470146 /nfs/dbraw/zinc/47/01/46/531470146.db2.gz QQPYYJOBBQYXMC-GFCCVEGCSA-N 1 0 392.257 1.523 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000415275592 531470407 /nfs/dbraw/zinc/47/04/07/531470407.db2.gz ZGOXEWXVLIRVJA-SECBINFHSA-N 1 0 384.230 1.124 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1Br ZINC000415278326 531470564 /nfs/dbraw/zinc/47/05/64/531470564.db2.gz ZTCUKPQNPMZMTM-SECBINFHSA-N 1 0 384.230 1.124 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(OC)ccc2Br)C1 ZINC000415280724 531471187 /nfs/dbraw/zinc/47/11/87/531471187.db2.gz GTLCRBMOPQEBEQ-NSHDSACASA-N 1 0 384.274 1.854 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415293489 531471382 /nfs/dbraw/zinc/47/13/82/531471382.db2.gz DLDJZBUBUNNOHF-LLVKDONJSA-N 1 0 392.257 1.394 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C1 ZINC000415293146 531472017 /nfs/dbraw/zinc/47/20/17/531472017.db2.gz CUQSNQNNLDHHDS-ZDUSSCGKSA-N 1 0 382.917 1.652 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2ccccc2I)CC1 ZINC000415302491 531472513 /nfs/dbraw/zinc/47/25/13/531472513.db2.gz NAEJYYAPHJDFJO-UHFFFAOYSA-N 1 0 387.221 1.427 20 0 GDADRO COC(=O)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000487785584 531478491 /nfs/dbraw/zinc/47/84/91/531478491.db2.gz PWBJOCWVRWGAHA-GLQYFDAESA-N 1 0 399.285 1.683 20 0 GDADRO COC(=O)c1sccc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000543240085 531478465 /nfs/dbraw/zinc/47/84/65/531478465.db2.gz SGZOONAADSPGRU-LLVKDONJSA-N 1 0 381.479 1.954 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415363142 531479006 /nfs/dbraw/zinc/47/90/06/531479006.db2.gz QZGNEVVYIXANEN-UHFFFAOYSA-N 1 0 381.601 1.219 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415366006 531479530 /nfs/dbraw/zinc/47/95/30/531479530.db2.gz VKAOPKAITJCRMM-SECBINFHSA-N 1 0 376.201 1.876 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415366145 531479644 /nfs/dbraw/zinc/47/96/44/531479644.db2.gz DOWDIHOYIRKPFP-NSHDSACASA-N 1 0 378.230 1.133 20 0 GDADRO Cn1ncc(Br)c1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000449857759 531480063 /nfs/dbraw/zinc/48/00/63/531480063.db2.gz SAYAXANRSXWOMB-UHFFFAOYSA-N 1 0 385.306 1.948 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)OC)C1 ZINC000415388090 531481322 /nfs/dbraw/zinc/48/13/22/531481322.db2.gz CRCLRSFCFGIPFL-VIFPVBQESA-N 1 0 388.251 1.786 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC(C)(C)C[NH3+])c(C)cc1Br ZINC000415386184 531481374 /nfs/dbraw/zinc/48/13/74/531481374.db2.gz WNWKNJQBHQDWGN-UHFFFAOYSA-N 1 0 386.246 1.336 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415384473 531481654 /nfs/dbraw/zinc/48/16/54/531481654.db2.gz YXBZWONDAIKHCA-JTQLQIEISA-N 1 0 380.246 1.427 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C(=O)OC)C1 ZINC000415386897 531481770 /nfs/dbraw/zinc/48/17/70/531481770.db2.gz BNSJRTIZMGYRPN-JTQLQIEISA-N 1 0 398.257 1.242 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415383106 531481783 /nfs/dbraw/zinc/48/17/83/531481783.db2.gz SUAHFBNZWCDXBE-SNVBAGLBSA-N 1 0 377.242 1.804 20 0 GDADRO Cc1cc(F)c(NC(=O)N2CCO[C@H](C[NH3+])C2)c(I)c1 ZINC000415393652 531482376 /nfs/dbraw/zinc/48/23/76/531482376.db2.gz PMHTYXYDERPCCH-SECBINFHSA-N 1 0 393.200 1.930 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415390618 531482460 /nfs/dbraw/zinc/48/24/60/531482460.db2.gz HPYFIBFXJQXLOZ-SNVBAGLBSA-N 1 0 398.257 1.290 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1ccccc1I ZINC000415401409 531483105 /nfs/dbraw/zinc/48/31/05/531483105.db2.gz XJMPKBPWBRSCNO-SNVBAGLBSA-N 1 0 387.221 1.346 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000415400805 531483197 /nfs/dbraw/zinc/48/31/97/531483197.db2.gz WHJDVIYZHUZNCD-NSHDSACASA-N 1 0 384.274 1.854 20 0 GDADRO Cc1cc(F)c(NC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(I)c1 ZINC000415404516 531483210 /nfs/dbraw/zinc/48/32/10/531483210.db2.gz MXMBRLWXFPGGSG-KCJUWKMLSA-N 1 0 393.200 1.441 20 0 GDADRO CC[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280249395 531483522 /nfs/dbraw/zinc/48/35/22/531483522.db2.gz IUHRWIDRLRHSGS-CYBMUJFWSA-N 1 0 397.950 1.228 20 0 GDADRO COC(=O)c1cc(NC(=O)NC[C@H]2C[NH2+]CCCO2)ccc1Br ZINC000415409606 531484194 /nfs/dbraw/zinc/48/41/94/531484194.db2.gz SWBFXPWXYGIWHL-LLVKDONJSA-N 1 0 386.246 1.736 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(C)c(I)c1 ZINC000415411533 531484328 /nfs/dbraw/zinc/48/43/28/531484328.db2.gz GWDMANSBGMHWLS-SECBINFHSA-N 1 0 389.237 1.510 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415416286 531484538 /nfs/dbraw/zinc/48/45/38/531484538.db2.gz KAWBCFCZOXUSGC-SNVBAGLBSA-N 1 0 380.246 1.379 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1I ZINC000415427757 531484711 /nfs/dbraw/zinc/48/47/11/531484711.db2.gz GLGUEHFKZZVOMX-SNVBAGLBSA-N 1 0 387.221 1.358 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415432417 531484761 /nfs/dbraw/zinc/48/47/61/531484761.db2.gz WAUDHVOVGDBKNY-LBPRGKRZSA-N 1 0 388.262 1.584 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415429219 531485382 /nfs/dbraw/zinc/48/53/82/531485382.db2.gz AYJHUMRAIQGQCN-LLVKDONJSA-N 1 0 376.240 1.818 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)CC[C@H]1[NH3+] ZINC000415440945 531485861 /nfs/dbraw/zinc/48/58/61/531485861.db2.gz MVRMYXQHUIKSMV-IAQYHMDHSA-N 1 0 397.317 1.645 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000415441810 531486024 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1.318 20 0 GDADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1Cl ZINC000415833309 531539247 /nfs/dbraw/zinc/53/92/47/531539247.db2.gz MQUWYVXLQVGTCW-JTQLQIEISA-N 1 0 376.240 1.435 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(Cl)cc1Br ZINC000659087029 531540147 /nfs/dbraw/zinc/54/01/47/531540147.db2.gz NDRWGJTWBUWPBA-IYOMYWLESA-N 1 0 388.649 1.384 20 0 GDADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000415833586 531540294 /nfs/dbraw/zinc/54/02/94/531540294.db2.gz SWQQXXRMDHKARZ-QMTHXVAHSA-N 1 0 384.274 1.980 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000280780458 531540400 /nfs/dbraw/zinc/54/04/00/531540400.db2.gz FPXNUZZFMVSZFG-DOMZBBRYSA-N 1 0 397.317 1.972 20 0 GDADRO CCOC(=O)c1cc(C)sc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415838592 531540576 /nfs/dbraw/zinc/54/05/76/531540576.db2.gz NWTFPARUTUBIRJ-VIFPVBQESA-N 1 0 381.376 1.568 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Br)s1)N[C@H]1CCC[NH2+]CC1 ZINC000364161900 531541099 /nfs/dbraw/zinc/54/10/99/531541099.db2.gz QKVZRSDDVRLHCH-VIFPVBQESA-N 1 0 396.332 1.047 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)C[C@@H]1[NH3+] ZINC000415844944 531541577 /nfs/dbraw/zinc/54/15/77/531541577.db2.gz RCQYZLQDFQYHID-ZANVPECISA-N 1 0 382.251 1.923 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC[C@H]1F ZINC000659109574 531541964 /nfs/dbraw/zinc/54/19/64/531541964.db2.gz HNFDEWOKPKNTQF-NXEZZACHSA-N 1 0 379.766 1.820 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415843271 531542075 /nfs/dbraw/zinc/54/20/75/531542075.db2.gz ICXJLUBHFWIBNB-QWRGUYRKSA-N 1 0 384.274 1.840 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415858820 531544348 /nfs/dbraw/zinc/54/43/48/531544348.db2.gz FJYGUCDXDORITK-SECBINFHSA-N 1 0 376.638 1.146 20 0 GDADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415858454 531544811 /nfs/dbraw/zinc/54/48/11/531544811.db2.gz JUUIDOJGESFGGU-SECBINFHSA-N 1 0 376.240 1.517 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCN2C)cc1Cl ZINC000415858275 531545031 /nfs/dbraw/zinc/54/50/31/531545031.db2.gz SQYYUHKORWXYJW-LLVKDONJSA-N 1 0 389.283 1.350 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CCCO1 ZINC000415856888 531545088 /nfs/dbraw/zinc/54/50/88/531545088.db2.gz GGYWVFOEJDBFOO-JTQLQIEISA-N 1 0 390.665 1.617 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CCCO1 ZINC000415868546 531546534 /nfs/dbraw/zinc/54/65/34/531546534.db2.gz YPADSKHFMRKUGO-JTQLQIEISA-N 1 0 390.665 1.617 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CCCO1 ZINC000415865778 531546657 /nfs/dbraw/zinc/54/66/57/531546657.db2.gz UXJIDADXOFJRDE-ZDUSSCGKSA-N 1 0 396.285 1.453 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000659491302 531547343 /nfs/dbraw/zinc/54/73/43/531547343.db2.gz RVLFLIRRGLCUSP-UHFFFAOYSA-N 1 0 380.873 1.136 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2sccc2S(N)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000612300919 531548433 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COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1Cl ZINC000415797209 531533099 /nfs/dbraw/zinc/53/30/99/531533099.db2.gz YJNOLEWAHPXIAY-IUCAKERBSA-N 1 0 378.256 1.809 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000582063342 531533484 /nfs/dbraw/zinc/53/34/84/531533484.db2.gz YCHVHUXTYWLPEA-GHMZBOCLSA-N 1 0 384.274 1.412 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[C@@H](C)[C@@H]([NH3+])C3)C2)s1 ZINC000658972698 531534531 /nfs/dbraw/zinc/53/45/31/531534531.db2.gz ANVCLFHPCCQNNX-SNPRPXQTSA-N 1 0 385.555 1.653 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000415809246 531534597 /nfs/dbraw/zinc/53/45/97/531534597.db2.gz SXNBGFOTFJRKHG-LBPRGKRZSA-N 1 0 386.294 1.786 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415807219 531534739 /nfs/dbraw/zinc/53/47/39/531534739.db2.gz MTMIRFWSSVPXPC-BQBZGAKWSA-N 1 0 395.628 1.735 20 0 GDADRO C[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000658973554 531535042 /nfs/dbraw/zinc/53/50/42/531535042.db2.gz UCMNITSCHKPITN-RISCZKNCSA-N 1 0 378.416 1.761 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)CCc2scnc2C)CC1 ZINC000295192138 531535454 /nfs/dbraw/zinc/53/54/54/531535454.db2.gz LHDKFDQVJYWTEK-UHFFFAOYSA-N 1 0 389.543 1.189 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1I)[C@H](C)[NH3+] ZINC000415810720 531536041 /nfs/dbraw/zinc/53/60/41/531536041.db2.gz QRYXPIBWWIRAJK-NKWVEPMBSA-N 1 0 395.628 1.735 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000636079652 531536345 /nfs/dbraw/zinc/53/63/45/531536345.db2.gz QJNWVKWPOMKCJK-QMMMGPOBSA-N 1 0 377.247 1.907 20 0 GDADRO CC(C)(C)n1cc(Br)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000612659415 531554856 /nfs/dbraw/zinc/55/48/56/531554856.db2.gz OPVOFBFYACXMEG-LBPRGKRZSA-N 1 0 387.322 1.977 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCC2(c3ccccc3Br)CC2)CCCC1 ZINC000659698010 531555635 /nfs/dbraw/zinc/55/56/35/531555635.db2.gz RAVFNPSLMJSBPS-UHFFFAOYSA-N 1 0 394.313 1.985 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C)s1 ZINC000280937560 531559061 /nfs/dbraw/zinc/55/90/61/531559061.db2.gz HOJUVCQJUMXSAE-UONOGXRCSA-N 1 0 394.584 1.589 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000659749923 531559240 /nfs/dbraw/zinc/55/92/40/531559240.db2.gz CWRZSPSQJHCMIE-HZMBPMFUSA-N 1 0 386.265 1.976 20 0 GDADRO C[C@]1(NC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC[NH2+]C1 ZINC000612903319 531560232 /nfs/dbraw/zinc/56/02/32/531560232.db2.gz IXWPWYMIZYFVOH-AWEZNQCLSA-N 1 0 379.404 1.660 20 0 GDADRO C[C@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)C1=CC[N@H+](C)CC1 ZINC000613376887 531565648 /nfs/dbraw/zinc/56/56/48/531565648.db2.gz XNGMMVRSAVGCDS-NSHDSACASA-N 1 0 391.273 1.805 20 0 GDADRO Cc1ncc(S(=O)(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000364444516 531566364 /nfs/dbraw/zinc/56/63/64/531566364.db2.gz MRNRJSPDRCAOAV-KRWDZBQOSA-N 1 0 381.523 1.709 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000583252867 531567007 /nfs/dbraw/zinc/56/70/07/531567007.db2.gz DCAUVMJPODJNOI-UHFFFAOYSA-N 1 0 394.900 1.445 20 0 GDADRO C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000281024850 531569458 /nfs/dbraw/zinc/56/94/58/531569458.db2.gz XXJFHFFSPJTCED-QWHCGFSZSA-N 1 0 384.322 1.840 20 0 GDADRO C[C@H](NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000553656880 531570268 /nfs/dbraw/zinc/57/02/68/531570268.db2.gz OPKQIWJCFDMGEY-QWRGUYRKSA-N 1 0 390.472 1.084 20 0 GDADRO C[C@@H]([NH2+]CCCOCCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281049165 531570824 /nfs/dbraw/zinc/57/08/24/531570824.db2.gz HSSCBICJNGSVKG-SNVBAGLBSA-N 1 0 381.292 1.146 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNc1ncnc2cccc(I)c21 ZINC000558611416 531572152 /nfs/dbraw/zinc/57/21/52/531572152.db2.gz IHSNSUPQIKTMOB-NSHDSACASA-N 1 0 397.264 1.892 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000268813297 531575021 /nfs/dbraw/zinc/57/50/21/531575021.db2.gz MXINCIWNWGPKFM-CQSZACIVSA-N 1 0 379.302 1.835 20 0 GDADRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000451263041 531577216 /nfs/dbraw/zinc/57/72/16/531577216.db2.gz YRSTYIZLYGITFX-DOMZBBRYSA-N 1 0 398.301 1.597 20 0 GDADRO COC(=O)Cn1cc(C[NH2+]CCCc2ccc(Br)cc2OC)nn1 ZINC000295442740 531578986 /nfs/dbraw/zinc/57/89/86/531578986.db2.gz POIVIARMEJXOML-UHFFFAOYSA-N 1 0 397.273 1.945 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000583498649 531580329 /nfs/dbraw/zinc/58/03/29/531580329.db2.gz HHZBEIZKSPIZSX-GHMZBOCLSA-N 1 0 379.935 1.608 20 0 GDADRO O=C(COc1ccc(Br)cc1F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295453777 531580058 /nfs/dbraw/zinc/58/00/58/531580058.db2.gz MEISBZPVWPAZON-CYBMUJFWSA-N 1 0 389.265 1.930 20 0 GDADRO Cc1cc(Br)c(O)c(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c1 ZINC000583500988 531580934 /nfs/dbraw/zinc/58/09/34/531580934.db2.gz PYBWNPOUHUOMHS-UHFFFAOYSA-N 1 0 391.287 1.568 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000614065262 531587781 /nfs/dbraw/zinc/58/77/81/531587781.db2.gz XQICZDFRFUTVMO-INIZCTEOSA-N 1 0 381.274 1.626 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000295508827 531589157 /nfs/dbraw/zinc/58/91/57/531589157.db2.gz URGAWZJNYFHBMJ-SLEUVZQESA-N 1 0 383.286 1.989 20 0 GDADRO O=c1ccn(Cc2cccc(Br)c2)c(=O)n1CC[C@H]1CC[NH2+]C1 ZINC000583691724 531588685 /nfs/dbraw/zinc/58/86/85/531588685.db2.gz JKJBNVXAEFZBAW-CYBMUJFWSA-N 1 0 378.270 1.820 20 0 GDADRO CC(C)Cc1ncc(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)s1 ZINC000364725889 531591763 /nfs/dbraw/zinc/59/17/63/531591763.db2.gz VRCMCHPKKHOONE-MRXNPFEDSA-N 1 0 387.571 1.968 20 0 GDADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000583802107 531595668 /nfs/dbraw/zinc/59/56/68/531595668.db2.gz UPHFBGKCNMIKPI-BFHYXJOUSA-N 1 0 386.543 1.151 20 0 GDADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000364772378 531595575 /nfs/dbraw/zinc/59/55/75/531595575.db2.gz QEFJXJLNMXIOHK-UHFFFAOYSA-N 1 0 381.274 1.869 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1(c2ccccc2Br)CC1 ZINC000614503779 531598732 /nfs/dbraw/zinc/59/87/32/531598732.db2.gz SFYMQBCTJWHPIA-CQSZACIVSA-N 1 0 378.314 1.987 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000637079430 531599642 /nfs/dbraw/zinc/59/96/42/531599642.db2.gz WRSKEEPADDMQLW-ZDUSSCGKSA-N 1 0 399.289 1.022 20 0 GDADRO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660091794 531602560 /nfs/dbraw/zinc/60/25/60/531602560.db2.gz LGZSGRLMDKLNRT-CQSZACIVSA-N 1 0 378.416 1.925 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)CC[NH+](C)C)nc12 ZINC000583957805 531603145 /nfs/dbraw/zinc/60/31/45/531603145.db2.gz NRWVNUAELVIXJI-UHFFFAOYSA-N 1 0 396.289 1.041 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)C(=O)N1CC[C@@H](CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000637117754 531605853 /nfs/dbraw/zinc/60/58/53/531605853.db2.gz CMHIYKKUGVKWCL-IAQYHMDHSA-N 1 0 388.295 1.553 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1COc2ccc(Br)cc21 ZINC000295633419 531608348 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C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H](CO)CC(C)(C)C ZINC000451789756 531685929 /nfs/dbraw/zinc/68/59/29/531685929.db2.gz MSOMRJNNQMILQB-LLVKDONJSA-N 1 0 391.921 1.655 20 0 GDADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000590299830 531687709 /nfs/dbraw/zinc/68/77/09/531687709.db2.gz UKPBQJAIAZMVAY-UHFFFAOYSA-N 1 0 376.544 1.881 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000662552262 531688156 /nfs/dbraw/zinc/68/81/56/531688156.db2.gz QUHNYYOLYJGVQL-KGLIPLIRSA-N 1 0 384.274 1.049 20 0 GDADRO CCN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000503351120 531693909 /nfs/dbraw/zinc/69/39/09/531693909.db2.gz XKVKOZBEBCMRHK-QGZVFWFLSA-N 1 0 382.551 1.885 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000662719652 531694496 /nfs/dbraw/zinc/69/44/96/531694496.db2.gz ADJJCQPFNWUCJD-HBSPSFQMSA-N 1 0 392.297 1.922 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000561429097 531697474 /nfs/dbraw/zinc/69/74/74/531697474.db2.gz QVZMKUVAGPESPB-HNNXBMFYSA-N 1 0 387.933 1.999 20 0 GDADRO C[C@](CO)([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(Br)cc1 ZINC000639639734 531699146 /nfs/dbraw/zinc/69/91/46/531699146.db2.gz VHEQNVPVIAENIR-JKSUJKDBSA-N 1 0 388.302 1.539 20 0 GDADRO COc1ccc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c(Br)c1O ZINC000639369368 531690088 /nfs/dbraw/zinc/69/00/88/531690088.db2.gz VCNXUHUWTXZIKH-HZPDHXFCSA-N 1 0 383.242 1.648 20 0 GDADRO C[C@]12C[N@H+](Cc3cn4ccc(Br)cc4n3)C[C@@]1(C)C(=O)NC2=O ZINC000639365935 531690110 /nfs/dbraw/zinc/69/01/10/531690110.db2.gz SUVNZSPRECPNFU-IYBDPMFKSA-N 1 0 377.242 1.581 20 0 GDADRO C[C@]12C[N@H+](Cc3cc(Br)c4c(c3)OCCO4)C[C@@]1(C)C(=O)NC2=O ZINC000639368742 531690643 /nfs/dbraw/zinc/69/06/43/531690643.db2.gz RAXUVYDXHCEAEB-CALCHBBNSA-N 1 0 395.253 1.705 20 0 GDADRO C[NH+](C)CCCCCCCNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000269566048 531691177 /nfs/dbraw/zinc/69/11/77/531691177.db2.gz FMCZLTGXJKFUQR-UHFFFAOYSA-N 1 0 390.575 1.838 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000561310281 531691411 /nfs/dbraw/zinc/69/14/11/531691411.db2.gz CMLKTSPZZPGJPG-UHFFFAOYSA-N 1 0 380.432 1.975 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c(Br)c1 ZINC000503272938 531692061 /nfs/dbraw/zinc/69/20/61/531692061.db2.gz DJJYKKHARUTVGP-LLVKDONJSA-N 1 0 384.274 1.806 20 0 GDADRO C[C@]12C[N@H+](CCC(=O)Nc3ccc(Br)cc3)C[C@@]1(C)C(=O)NC2=O ZINC000639951189 531710420 /nfs/dbraw/zinc/71/04/20/531710420.db2.gz XWIAODPUNDRXIO-CALCHBBNSA-N 1 0 394.269 1.762 20 0 GDADRO COC(=O)CN(C)C(=O)CC[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451912282 531711198 /nfs/dbraw/zinc/71/11/98/531711198.db2.gz OZYLQKIMFSNLQZ-INIZCTEOSA-N 1 0 377.268 1.812 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000504252001 531701495 /nfs/dbraw/zinc/70/14/95/531701495.db2.gz CNSAXJUSVMZTCO-DZKIICNBSA-N 1 0 385.555 1.282 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000662959894 531702367 /nfs/dbraw/zinc/70/23/67/531702367.db2.gz JSBRUCAZWJEGPF-RNCFNFMXSA-N 1 0 387.267 1.923 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000296535824 531702920 /nfs/dbraw/zinc/70/29/20/531702920.db2.gz QRMHRCVFUDNPCU-DZGCQCFKSA-N 1 0 389.543 1.205 20 0 GDADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@H]2CCCOc3c(Br)cccc32)C1 ZINC000296561758 531703955 /nfs/dbraw/zinc/70/39/55/531703955.db2.gz SHXBQMLTECCEKU-DZGCQCFKSA-N 1 0 390.299 1.802 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)C2 ZINC000662991991 531705775 /nfs/dbraw/zinc/70/57/75/531705775.db2.gz FIKBMCQMCIAORQ-RISCZKNCSA-N 1 0 380.286 1.795 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000451888589 531705853 /nfs/dbraw/zinc/70/58/53/531705853.db2.gz LGPLUVYRTIOPMV-UHFFFAOYSA-N 1 0 391.559 1.336 20 0 GDADRO CCn1ccnc1CNC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000296585363 531707075 /nfs/dbraw/zinc/70/70/75/531707075.db2.gz SXRIHLDBIOBFII-UHFFFAOYSA-N 1 0 381.230 1.929 20 0 GDADRO C[C@H](CCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[NH+](C)C ZINC000664814200 531727513 /nfs/dbraw/zinc/72/75/13/531727513.db2.gz BQHWCPOSOXNQPA-LLVKDONJSA-N 1 0 394.900 1.397 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1ccsc1Br ZINC000664839154 531728637 /nfs/dbraw/zinc/72/86/37/531728637.db2.gz ZSHJDGUETUPPFT-UHFFFAOYSA-N 1 0 391.335 1.672 20 0 GDADRO COc1cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ncc1Br ZINC000639962508 531712316 /nfs/dbraw/zinc/71/23/16/531712316.db2.gz KASSDDPXAFRTNB-NSHDSACASA-N 1 0 387.278 1.821 20 0 GDADRO Cc1ncc([C@H](C)[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O)s1 ZINC000639995443 531715722 /nfs/dbraw/zinc/71/57/22/531715722.db2.gz MMHUAARSDFKHGJ-LBPRGKRZSA-N 1 0 376.548 1.278 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC[NH+]1CCC1 ZINC000505413391 531717699 /nfs/dbraw/zinc/71/76/99/531717699.db2.gz AQVIIJKBPHOAJK-INIZCTEOSA-N 1 0 385.555 1.217 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000619798238 531718390 /nfs/dbraw/zinc/71/83/90/531718390.db2.gz CNFREMRLKMSXET-CQSZACIVSA-N 1 0 377.894 1.272 20 0 GDADRO CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000451945065 531722246 /nfs/dbraw/zinc/72/22/46/531722246.db2.gz IHJUXRWCNSTQOG-BPLDGKMQSA-N 1 0 378.238 1.721 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2nn(C)cc2Br)C1 ZINC000640311102 531737139 /nfs/dbraw/zinc/73/71/39/531737139.db2.gz YZZMTICGTXERCU-LBPRGKRZSA-N 1 0 388.310 2.147 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000665559485 531738686 /nfs/dbraw/zinc/73/86/86/531738686.db2.gz GHDHTZVCJSLHGE-UHFFFAOYSA-N 1 0 386.294 1.213 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000640319601 531742406 /nfs/dbraw/zinc/74/24/06/531742406.db2.gz AXQZHLXPPDACNR-LBPRGKRZSA-N 1 0 381.274 1.522 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1Br ZINC000416891159 531744322 /nfs/dbraw/zinc/74/43/22/531744322.db2.gz MXHNZAGLPPHIFV-DGCLKSJQSA-N 1 0 385.306 1.722 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cnc2ncc(Br)cc2c1 ZINC000640322184 531744595 /nfs/dbraw/zinc/74/45/95/531744595.db2.gz OSCBJKVRAADMBZ-CQSZACIVSA-N 1 0 379.258 1.579 20 0 GDADRO CN1CC[C@@](O)(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000562313313 531745609 /nfs/dbraw/zinc/74/56/09/531745609.db2.gz OYSNDOKYWAUMLT-DZGCQCFKSA-N 1 0 389.315 1.324 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000416924198 531745776 /nfs/dbraw/zinc/74/57/76/531745776.db2.gz WMJMOJUCFLOMNC-GXTWGEPZSA-N 1 0 388.559 1.576 20 0 GDADRO O=C(NCCc1ccc(Br)s1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000416917854 531746559 /nfs/dbraw/zinc/74/65/59/531746559.db2.gz JJZGDNVJKFPYOU-GFCCVEGCSA-N 1 0 387.347 1.742 20 0 GDADRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000416945142 531747337 /nfs/dbraw/zinc/74/73/37/531747337.db2.gz HCOPJGHYYFJGDK-GXTWGEPZSA-N 1 0 388.921 1.387 20 0 GDADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000416941674 531748014 /nfs/dbraw/zinc/74/80/14/531748014.db2.gz CCIBJYCKSKPXMX-AWEZNQCLSA-N 1 0 388.921 1.450 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000366300792 531733454 /nfs/dbraw/zinc/73/34/54/531733454.db2.gz DBWDZGZDPFHILT-ZWNOBZJWSA-N 1 0 375.853 1.810 20 0 GDADRO CS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccccc2CN2CCSCC2)C1 ZINC000282430209 531753030 /nfs/dbraw/zinc/75/30/30/531753030.db2.gz FHLZOMLFVIADII-OAHLLOKOSA-N 1 0 383.539 1.886 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000666186347 531754156 /nfs/dbraw/zinc/75/41/56/531754156.db2.gz RBKLIEMZOJDUBX-IUCAKERBSA-N 1 0 380.297 1.818 20 0 GDADRO O=C([C@H]1CCCN1[C@H]1CCCN(CC(F)(F)F)C1=O)N1CCSCC1 ZINC000562501767 531758318 /nfs/dbraw/zinc/75/83/18/531758318.db2.gz AJPARVKBWPSVKO-OLZOCXBDSA-N 1 0 379.448 1.580 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621839191 531758978 /nfs/dbraw/zinc/75/89/78/531758978.db2.gz PAHMLBGWWRSHLK-DYVFJYSZSA-N 1 0 380.286 1.714 20 0 GDADRO NS(=O)(=O)c1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000640748641 531759683 /nfs/dbraw/zinc/75/96/83/531759683.db2.gz PHKUODTYPXEVTE-RISCZKNCSA-N 1 0 384.527 1.876 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417216117 531760338 /nfs/dbraw/zinc/76/03/38/531760338.db2.gz XQBGECJWUYJBIN-ZDUSSCGKSA-N 1 0 397.317 1.820 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)NCC(F)(F)c2ccc(Br)cc2)CC1 ZINC000621849019 531761380 /nfs/dbraw/zinc/76/13/80/531761380.db2.gz LPQKVEQTQXUNGP-UHFFFAOYSA-N 1 0 390.228 1.607 20 0 GDADRO [NH3+][C@H](c1cn(CC(=O)NCC(F)(F)F)nn1)c1ccc(Br)cc1 ZINC000640797603 531764127 /nfs/dbraw/zinc/76/41/27/531764127.db2.gz BDXZOUVXLJXJQH-LBPRGKRZSA-N 1 0 392.179 1.767 20 0 GDADRO O=C(Nc1cncc(Br)c1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366629751 531765314 /nfs/dbraw/zinc/76/53/14/531765314.db2.gz NOZNSHYISJHLKP-UHFFFAOYSA-N 1 0 381.274 1.916 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622014568 531765400 /nfs/dbraw/zinc/76/54/00/531765400.db2.gz HSTYSKIXOGRXJD-BDJLRTHQSA-N 1 0 387.889 1.809 20 0 GDADRO O=C(Nc1ccc(Br)nc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366638953 531765636 /nfs/dbraw/zinc/76/56/36/531765636.db2.gz MMMHYKHNQIFSHQ-UHFFFAOYSA-N 1 0 381.274 1.916 20 0 GDADRO COc1ccc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000562796821 531780213 /nfs/dbraw/zinc/78/02/13/531780213.db2.gz IKHNNCMMEBYGSV-AWEZNQCLSA-N 1 0 397.317 1.647 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000562816526 531780814 /nfs/dbraw/zinc/78/08/14/531780814.db2.gz UHDMGBOQLRFZPQ-UONOGXRCSA-N 1 0 381.274 1.384 20 0 GDADRO C[C@]1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CCC[NH2+]C1 ZINC000562821222 531781282 /nfs/dbraw/zinc/78/12/82/531781282.db2.gz BOLXMGIVBDULOK-DAYGRLMNSA-N 1 0 394.313 1.927 20 0 GDADRO COC[C@@]1(CNC(=O)NCc2cc(Br)cc3c2OCC3)CCC[NH2+]1 ZINC000562805933 531781537 /nfs/dbraw/zinc/78/15/37/531781537.db2.gz XRFNYLFBCQIQQG-KRWDZBQOSA-N 1 0 398.301 1.952 20 0 GDADRO COCCCn1nccc1C[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000282657177 531781741 /nfs/dbraw/zinc/78/17/41/531781741.db2.gz MNSJVAODDQSMSZ-UHFFFAOYSA-N 1 0 386.543 1.666 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCCNC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000417566275 531781819 /nfs/dbraw/zinc/78/18/19/531781819.db2.gz QXJSAQAFTNKNAH-NSHDSACASA-N 1 0 399.289 1.239 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c(C(=O)OC)s1 ZINC000269847546 531782424 /nfs/dbraw/zinc/78/24/24/531782424.db2.gz QLVADOZLOQFLLA-JTQLQIEISA-N 1 0 390.483 1.036 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417587873 531782761 /nfs/dbraw/zinc/78/27/61/531782761.db2.gz SRNBRYHLRSVBMP-CQSZACIVSA-N 1 0 397.317 1.930 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(CC(=O)Nc2ccc(Br)cc2C)nn1 ZINC000640835847 531767610 /nfs/dbraw/zinc/76/76/10/531767610.db2.gz NNCGETKUYITXQG-GFCCVEGCSA-N 1 0 382.262 1.504 20 0 GDADRO COc1cc(Br)c(Cn2cc(CC[C@@H](O)C[NH3+])nn2)cc1OC ZINC000640860609 531769210 /nfs/dbraw/zinc/76/92/10/531769210.db2.gz TTYOCMATWHKECC-GFCCVEGCSA-N 1 0 385.262 1.358 20 0 GDADRO O=c1c2c(ncn1Cc1ccc(I)cc1)CC[NH2+]CC2 ZINC000592177814 531769420 /nfs/dbraw/zinc/76/94/20/531769420.db2.gz SYDNXRAQDDJIEE-UHFFFAOYSA-N 1 0 381.217 1.584 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417431940 531769870 /nfs/dbraw/zinc/76/98/70/531769870.db2.gz GJVHISOQLBWOPF-STQMWFEESA-N 1 0 397.317 1.948 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417433386 531770335 /nfs/dbraw/zinc/77/03/35/531770335.db2.gz JLXQEBSSDJHSBU-WFASDCNBSA-N 1 0 397.317 1.996 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccccc1I ZINC000452347562 531772644 /nfs/dbraw/zinc/77/26/44/531772644.db2.gz IVBZZXQDKAMNOX-LBPRGKRZSA-N 1 0 388.249 1.868 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000417440927 531772732 /nfs/dbraw/zinc/77/27/32/531772732.db2.gz ZIZXHLKXZYUJGK-LBPRGKRZSA-N 1 0 385.306 1.996 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417485202 531776661 /nfs/dbraw/zinc/77/66/61/531776661.db2.gz LGFZVZYCDGDVDR-LBPRGKRZSA-N 1 0 385.306 1.724 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CCO1 ZINC000417479121 531776811 /nfs/dbraw/zinc/77/68/11/531776811.db2.gz JMJWMUQKKWXNJM-HIFRSBDPSA-N 1 0 383.290 1.397 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000562761126 531778284 /nfs/dbraw/zinc/77/82/84/531778284.db2.gz RKKAYOSSVFNBTG-QMMMGPOBSA-N 1 0 376.638 1.609 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CCO1 ZINC000667374723 531778633 /nfs/dbraw/zinc/77/86/33/531778633.db2.gz AJJDRAFQJWWNQP-MFKMUULPSA-N 1 0 395.261 1.610 20 0 GDADRO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1Br ZINC000366798806 531778756 /nfs/dbraw/zinc/77/87/56/531778756.db2.gz IXKDACQXQHSPGZ-OAHLLOKOSA-N 1 0 396.329 1.894 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000417558697 531779371 /nfs/dbraw/zinc/77/93/71/531779371.db2.gz VSEICNFRHHAZSV-SNVBAGLBSA-N 1 0 389.269 1.964 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297309823 531780116 /nfs/dbraw/zinc/78/01/16/531780116.db2.gz JSBXYHPWIGWQIQ-GFCCVEGCSA-N 1 0 399.293 1.970 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418085509 531801128 /nfs/dbraw/zinc/80/11/28/531801128.db2.gz ABPYFEQEBMDHRS-ZOWXZIJZSA-N 1 0 395.301 1.933 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000668505655 531801200 /nfs/dbraw/zinc/80/12/00/531801200.db2.gz CACUTDZBWGSEGU-APHBMKBZSA-N 1 0 388.917 1.479 20 0 GDADRO O=C(Nc1ccncc1I)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592426181 531785044 /nfs/dbraw/zinc/78/50/44/531785044.db2.gz LBYXXTMQTPCNKD-GFCCVEGCSA-N 1 0 386.237 1.904 20 0 GDADRO C[C@@H](CNC(=O)NCCCN1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000417767979 531785856 /nfs/dbraw/zinc/78/58/56/531785856.db2.gz CDDFVBRBTGLKSH-AWEZNQCLSA-N 1 0 399.333 1.811 20 0 GDADRO O[C@H](COc1cc(F)cc(Br)c1)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641230019 531788692 /nfs/dbraw/zinc/78/86/92/531788692.db2.gz VIDHTLNLQCVXJS-ABAIWWIYSA-N 1 0 399.264 1.772 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCCC[C@H]2CCC[NH2+]2)c(C)s1 ZINC000417909491 531788970 /nfs/dbraw/zinc/78/89/70/531788970.db2.gz IDDUXBWNNUJCBX-CQSZACIVSA-N 1 0 388.559 1.475 20 0 GDADRO [NH3+][C@H](c1cn(C[C@H](O)CC2(O)CCC2)nn1)c1ccc(Br)cc1 ZINC000641231188 531789079 /nfs/dbraw/zinc/78/90/79/531789079.db2.gz ZFIWTCWOYJIJQY-HIFRSBDPSA-N 1 0 381.274 1.755 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCC[C@@H]2CCC[NH2+]C2)c(C)s1 ZINC000417911055 531789546 /nfs/dbraw/zinc/78/95/46/531789546.db2.gz KUJMKKMNIIVIJV-AWEZNQCLSA-N 1 0 388.559 1.332 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417910873 531789645 /nfs/dbraw/zinc/78/96/45/531789645.db2.gz LTNZMVMHUFPORT-LBPRGKRZSA-N 1 0 385.306 1.822 20 0 GDADRO CCCN(C(=O)NCCNS(=O)(=O)c1ccc(C)s1)C1CC[NH2+]CC1 ZINC000417919882 531790303 /nfs/dbraw/zinc/79/03/03/531790303.db2.gz ZMKCHEGTJOTQEL-UHFFFAOYSA-N 1 0 388.559 1.508 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)Cc1ccc(I)cc1 ZINC000592469619 531790320 /nfs/dbraw/zinc/79/03/20/531790320.db2.gz WPQIPXVAGHKZOB-UHFFFAOYSA-N 1 0 387.265 1.197 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000592488893 531790623 /nfs/dbraw/zinc/79/06/23/531790623.db2.gz NHIAEFOVBLUKPV-HNNXBMFYSA-N 1 0 388.295 1.789 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623018185 531790654 /nfs/dbraw/zinc/79/06/54/531790654.db2.gz ZHPCHUCUOXIFRR-UHFFFAOYSA-N 1 0 393.289 1.839 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(F)cc1 ZINC000562942886 531790690 /nfs/dbraw/zinc/79/06/90/531790690.db2.gz PUXABTYODQBPGE-QGZVFWFLSA-N 1 0 388.530 1.397 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1CCC(=O)Nc1ccccc1Br ZINC000592488494 531790729 /nfs/dbraw/zinc/79/07/29/531790729.db2.gz KLVWWTOSDKWSPY-CQSZACIVSA-N 1 0 384.274 1.615 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000417912617 531791001 /nfs/dbraw/zinc/79/10/01/531791001.db2.gz OTBGQYIFPWYUBU-CYBMUJFWSA-N 1 0 376.548 1.350 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc2c(cc1Br)OCCO2 ZINC000592491534 531791699 /nfs/dbraw/zinc/79/16/99/531791699.db2.gz MAAFLJYFINTJRE-CYBMUJFWSA-N 1 0 385.258 1.557 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623020812 531792135 /nfs/dbraw/zinc/79/21/35/531792135.db2.gz VGEABEPWPVGOCZ-YGRLFVJLSA-N 1 0 391.273 1.637 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)C[N@@H+]1C1CC1 ZINC000623020668 531792511 /nfs/dbraw/zinc/79/25/11/531792511.db2.gz QTGVOHQMLGMECF-PWSUYJOCSA-N 1 0 391.273 1.780 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000366936463 531792495 /nfs/dbraw/zinc/79/24/95/531792495.db2.gz WUSGEUHXFSJMLW-WXHSDQCUSA-N 1 0 377.869 1.165 20 0 GDADRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000417924333 531793803 /nfs/dbraw/zinc/79/38/03/531793803.db2.gz IQYBBLRFNLGVJL-QWRGUYRKSA-N 1 0 394.950 1.497 20 0 GDADRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000562986752 531793953 /nfs/dbraw/zinc/79/39/53/531793953.db2.gz RMCMFYSFYNQFHD-AWEZNQCLSA-N 1 0 382.507 1.585 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000511574306 531794481 /nfs/dbraw/zinc/79/44/81/531794481.db2.gz SPWRWZCJMZRXLE-RYUDHWBXSA-N 1 0 397.324 1.734 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCO1 ZINC000418007665 531794741 /nfs/dbraw/zinc/79/47/41/531794741.db2.gz QJTVZOIRWBUJLM-RISCZKNCSA-N 1 0 387.267 1.468 20 0 GDADRO COCC[NH2+]CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000417994099 531795374 /nfs/dbraw/zinc/79/53/74/531795374.db2.gz QTHBPAYDTDVQRC-CQSZACIVSA-N 1 0 389.283 1.634 20 0 GDADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000269889002 531797780 /nfs/dbraw/zinc/79/77/80/531797780.db2.gz VHHOAWJYMDRBSH-HNNXBMFYSA-N 1 0 392.930 1.842 20 0 GDADRO C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000623073481 531797857 /nfs/dbraw/zinc/79/78/57/531797857.db2.gz SIBXJMUSVSVLRR-UHFFFAOYSA-N 1 0 380.297 1.436 20 0 GDADRO C[NH2+]CCCNC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000418012030 531798004 /nfs/dbraw/zinc/79/80/04/531798004.db2.gz LOZVNHGNXSNFNW-AWEZNQCLSA-N 1 0 383.290 1.772 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCC[NH2+]C3)nc12 ZINC000418027033 531800241 /nfs/dbraw/zinc/80/02/41/531800241.db2.gz WXSNKORISJEJIX-ZDUSSCGKSA-N 1 0 380.290 1.999 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)C[C@]2(C)CC2(F)F)CC1 ZINC000641310579 531802357 /nfs/dbraw/zinc/80/23/57/531802357.db2.gz PRBZVOQGKCLTIT-XHSDSOJGSA-N 1 0 379.517 1.852 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC[NH2+]1 ZINC000418137444 531803346 /nfs/dbraw/zinc/80/33/46/531803346.db2.gz DCQQCLJDNGQQBG-CHWSQXEVSA-N 1 0 388.921 1.448 20 0 GDADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)C[C@@H]3C(C)(C)C3(F)F)CC2)c1 ZINC000641318323 531804775 /nfs/dbraw/zinc/80/47/75/531804775.db2.gz JEIIYEXFSKKWMQ-CYBMUJFWSA-N 1 0 375.441 1.833 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418146051 531805109 /nfs/dbraw/zinc/80/51/09/531805109.db2.gz JXBYBBANXKWVIT-LBPRGKRZSA-N 1 0 376.910 1.435 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418156720 531806221 /nfs/dbraw/zinc/80/62/21/531806221.db2.gz NJYKLPSDHCAWEZ-GFCCVEGCSA-N 1 0 392.884 1.151 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC[NH2+]1 ZINC000418157821 531807998 /nfs/dbraw/zinc/80/79/98/531807998.db2.gz BQDSFQOSGPNJAV-ZYHUDNBSSA-N 1 0 392.884 1.197 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000563118751 531808215 /nfs/dbraw/zinc/80/82/15/531808215.db2.gz DQXHVERDLSSJOS-GFCCVEGCSA-N 1 0 377.304 1.857 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000269935431 531808906 /nfs/dbraw/zinc/80/89/06/531808906.db2.gz VGHAWSWFEYXVLL-BBRMVZONSA-N 1 0 386.290 1.885 20 0 GDADRO CCOc1cc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)cc(Br)c1O ZINC000563111729 531809341 /nfs/dbraw/zinc/80/93/41/531809341.db2.gz AKCOSWHRHMQPAN-NSHDSACASA-N 1 0 394.287 1.457 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000563124095 531809541 /nfs/dbraw/zinc/80/95/41/531809541.db2.gz FIPGQFNLTXCXAW-RKDXNWHRSA-N 1 0 378.292 1.812 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000563134808 531810855 /nfs/dbraw/zinc/81/08/55/531810855.db2.gz FHMRRMGTSNUELX-CABZTGNLSA-N 1 0 375.878 1.583 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000592963355 531812046 /nfs/dbraw/zinc/81/20/46/531812046.db2.gz KXKCZJFCXZYOGA-ZDUSSCGKSA-N 1 0 385.251 1.547 20 0 GDADRO COc1ccc([C@H](C)[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1Br ZINC000453272189 531812346 /nfs/dbraw/zinc/81/23/46/531812346.db2.gz HSORSKVFPCQINP-IINYFYTJSA-N 1 0 378.288 1.658 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418174973 531812437 /nfs/dbraw/zinc/81/24/37/531812437.db2.gz AIDVOHSIOWQRNA-SMDDNHRTSA-N 1 0 388.921 1.224 20 0 GDADRO C[NH2+]CCN(C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418173277 531812498 /nfs/dbraw/zinc/81/24/98/531812498.db2.gz YMOMIBJXWHYJDX-UHFFFAOYSA-N 1 0 383.301 1.133 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000418173263 531813217 /nfs/dbraw/zinc/81/32/17/531813217.db2.gz YKOMYBUDZKZXII-SNVBAGLBSA-N 1 0 395.312 1.262 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)NCCC[NH2+]Cc1cccnc1 ZINC000592983115 531814029 /nfs/dbraw/zinc/81/40/29/531814029.db2.gz QSERFUQBEQCIRC-UHFFFAOYSA-N 1 0 383.495 1.696 20 0 GDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453576559 531814849 /nfs/dbraw/zinc/81/48/49/531814849.db2.gz VUQIQHXCXLRWPG-NSHDSACASA-N 1 0 378.654 1.080 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CCO1 ZINC000669581077 531816406 /nfs/dbraw/zinc/81/64/06/531816406.db2.gz FOWPZJDVIYPUMB-ULSRQLJBSA-N 1 0 388.237 1.779 20 0 GDADRO O=C(NCCC[NH2+]Cc1cccnc1)NCCCn1cc(Br)cn1 ZINC000418193917 531816570 /nfs/dbraw/zinc/81/65/70/531816570.db2.gz OEUXRBXKFQDZKM-UHFFFAOYSA-N 1 0 395.305 1.910 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CCO1 ZINC000418201987 531816591 /nfs/dbraw/zinc/81/65/91/531816591.db2.gz SYLLKQXBQDUEFI-GFCCVEGCSA-N 1 0 381.274 1.842 20 0 GDADRO [NH3+]CCCNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000418308220 531821905 /nfs/dbraw/zinc/82/19/05/531821905.db2.gz FSSWUNCBBMMXDQ-UHFFFAOYSA-N 1 0 395.312 1.358 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000418384741 531823536 /nfs/dbraw/zinc/82/35/36/531823536.db2.gz KBSZEGSVBSACIH-RISCZKNCSA-N 1 0 383.290 1.487 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418353120 531823779 /nfs/dbraw/zinc/82/37/79/531823779.db2.gz ABOJYLQAPISWEL-ZFWWWQNUSA-N 1 0 384.318 1.960 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000418395404 531824911 /nfs/dbraw/zinc/82/49/11/531824911.db2.gz SODYZBHFHPIPNV-ABAIWWIYSA-N 1 0 388.306 1.988 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)s1 ZINC000623783430 531825005 /nfs/dbraw/zinc/82/50/05/531825005.db2.gz LWUPHWFAWOBFIS-HNNXBMFYSA-N 1 0 381.523 1.537 20 0 GDADRO CN(C)S(=O)(=O)N1CC([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000623794263 531825274 /nfs/dbraw/zinc/82/52/74/531825274.db2.gz OCZOURVVILOVOV-UHFFFAOYSA-N 1 0 399.314 1.578 20 0 GDADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)NC[C@H]1CSCCS1 ZINC000297850905 531827982 /nfs/dbraw/zinc/82/79/82/531827982.db2.gz HMYCGUHTVJNZRM-SJORKVTESA-N 1 0 381.567 1.553 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)Cn3ccnc3C)CC2)c(C)s1 ZINC000297865045 531828927 /nfs/dbraw/zinc/82/89/27/531828927.db2.gz QCWKLUQTWOKRLH-UHFFFAOYSA-N 1 0 382.511 1.403 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000593306702 531829220 /nfs/dbraw/zinc/82/92/20/531829220.db2.gz QVWLFDGDSVKNEA-AWEZNQCLSA-N 1 0 380.539 1.724 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418534858 531829396 /nfs/dbraw/zinc/82/93/96/531829396.db2.gz XXSLTALSJUELCG-ZYHUDNBSSA-N 1 0 376.270 1.776 20 0 GDADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000623992447 531829447 /nfs/dbraw/zinc/82/94/47/531829447.db2.gz OLBKOXDGHBFTNM-RNCFNFMXSA-N 1 0 386.823 1.824 20 0 GDADRO C[C@@H]1[C@H](C)N(C(=O)c2c(I)cnn2C)[C@@H](C)C[N@@H+]1C ZINC000593190287 531819875 /nfs/dbraw/zinc/81/98/75/531819875.db2.gz IHAWTRPMDBPMNT-AEJSXWLSSA-N 1 0 376.242 1.578 20 0 GDADRO C[NH2+]CCCNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000418279932 531820842 /nfs/dbraw/zinc/82/08/42/531820842.db2.gz QKQSDXZWKQBYIF-LBPRGKRZSA-N 1 0 388.306 1.517 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H](CO)Cc1ccccc1Br ZINC000418339080 531821399 /nfs/dbraw/zinc/82/13/99/531821399.db2.gz MAHKQEQXTPRTMH-KBPBESRZSA-N 1 0 384.318 1.899 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418631023 531833148 /nfs/dbraw/zinc/83/31/48/531833148.db2.gz SUOMIAVHNZRYMG-ZYHUDNBSSA-N 1 0 376.270 1.646 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453923700 531833234 /nfs/dbraw/zinc/83/32/34/531833234.db2.gz WNFVYMXXTGNFRL-WCQYABFASA-N 1 0 396.285 1.867 20 0 GDADRO COc1cc(CS(=O)(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)sn1 ZINC000641553136 531834578 /nfs/dbraw/zinc/83/45/78/531834578.db2.gz UCZANJVKCNUCCV-ZBFHGGJFSA-N 1 0 381.523 1.917 20 0 GDADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)o2)CC1 ZINC000297943432 531834695 /nfs/dbraw/zinc/83/46/95/531834695.db2.gz RMXFQVRWDACZJT-UHFFFAOYSA-N 1 0 386.290 1.990 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)co1 ZINC000283169150 531835694 /nfs/dbraw/zinc/83/56/94/531835694.db2.gz JAPRZDXCXZBHOG-CQSZACIVSA-N 1 0 385.873 1.874 20 0 GDADRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCCCCS(C)(=O)=O)CC1 ZINC000624243317 531836136 /nfs/dbraw/zinc/83/61/36/531836136.db2.gz MGXOWTYQIRQGPG-UHFFFAOYSA-N 1 0 375.535 1.098 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418763825 531837997 /nfs/dbraw/zinc/83/79/97/531837997.db2.gz NLDWDSPLBIQYRW-WBMJQRKESA-N 1 0 381.318 1.809 20 0 GDADRO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418755470 531838074 /nfs/dbraw/zinc/83/80/74/531838074.db2.gz XNECZBNXUCBSLB-RYUDHWBXSA-N 1 0 396.207 1.918 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418772494 531838943 /nfs/dbraw/zinc/83/89/43/531838943.db2.gz WSNHWNJGRGMJJZ-OLZOCXBDSA-N 1 0 381.318 1.981 20 0 GDADRO O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)NC[C@H]1CC[NH2+]C1 ZINC000418548521 531830763 /nfs/dbraw/zinc/83/07/63/531830763.db2.gz SHCOIGYXRWDWPU-AAEUAGOBSA-N 1 0 388.281 1.648 20 0 GDADRO Cc1cnc(C(C)(C)NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000418612319 531831519 /nfs/dbraw/zinc/83/15/19/531831519.db2.gz IPQUBOXVKMQLRN-NSHDSACASA-N 1 0 379.452 1.822 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418564721 531831538 /nfs/dbraw/zinc/83/15/38/531831538.db2.gz UOTBEPZMIVBIQC-NSHDSACASA-N 1 0 381.278 1.909 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000418580360 531831721 /nfs/dbraw/zinc/83/17/21/531831721.db2.gz SNJVYHRFBKVDPI-XNRPHZJLSA-N 1 0 384.318 1.897 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@@]2(CCSC2)C1 ZINC000418608117 531832032 /nfs/dbraw/zinc/83/20/32/531832032.db2.gz DGHXLEJDEVOKII-DZGCQCFKSA-N 1 0 380.480 1.751 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418564709 531832123 /nfs/dbraw/zinc/83/21/23/531832123.db2.gz UOTBEPZMIVBIQC-LLVKDONJSA-N 1 0 381.278 1.909 20 0 GDADRO CN(C)c1cc(Br)cc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1 ZINC000563398506 531832235 /nfs/dbraw/zinc/83/22/35/531832235.db2.gz RQBRBKXILFFQJV-QGZVFWFLSA-N 1 0 382.302 1.702 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)NCCc1ccc(Br)s1)C1CC1 ZINC000283275285 531848570 /nfs/dbraw/zinc/84/85/70/531848570.db2.gz DLTHXJLHDHNTFL-UHFFFAOYSA-N 1 0 388.331 1.770 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418835784 531849142 /nfs/dbraw/zinc/84/91/42/531849142.db2.gz TVSOXMDAUWYCPE-DZGBDDFRSA-N 1 0 380.286 1.535 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)[NH+](C)C)s1 ZINC000454221691 531850605 /nfs/dbraw/zinc/85/06/05/531850605.db2.gz ZFHPIPGZCJWDDL-LBPRGKRZSA-N 1 0 376.548 1.528 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418836892 531850587 /nfs/dbraw/zinc/85/05/87/531850587.db2.gz RVWKOKDWIZQYRS-SDJAHQOYSA-N 1 0 380.286 1.535 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000418843227 531851630 /nfs/dbraw/zinc/85/16/30/531851630.db2.gz HTQPLZFYXWPNHU-MRXNPFEDSA-N 1 0 386.265 1.444 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418843794 531852310 /nfs/dbraw/zinc/85/23/10/531852310.db2.gz KPEZRHQGSRDXJQ-MAZHCROVSA-N 1 0 394.313 1.849 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418842297 531852362 /nfs/dbraw/zinc/85/23/62/531852362.db2.gz GLHBDWRCAMYCQZ-GFCCVEGCSA-N 1 0 386.265 1.363 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)NCCc2c[nH]c3ccc(Br)cc23)CC1 ZINC000418846096 531852589 /nfs/dbraw/zinc/85/25/89/531852589.db2.gz QLDXQZKLWAVRJM-UHFFFAOYSA-N 1 0 393.285 1.539 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000418853943 531855516 /nfs/dbraw/zinc/85/55/16/531855516.db2.gz KGLQKFRDGJREKH-RISCZKNCSA-N 1 0 382.302 1.817 20 0 GDADRO CC[NH+](CC)CCCNC(=O)NCc1nn(C)cc1I ZINC000454243421 531853602 /nfs/dbraw/zinc/85/36/02/531853602.db2.gz OSVKWRVXYCQZPJ-UHFFFAOYSA-N 1 0 393.273 1.556 20 0 GDADRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000641803811 531853678 /nfs/dbraw/zinc/85/36/78/531853678.db2.gz HWMGVWTYYVZMIQ-STQMWFEESA-N 1 0 383.290 1.219 20 0 GDADRO CN(CCc1nccs1)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000298131996 531855068 /nfs/dbraw/zinc/85/50/68/531855068.db2.gz XLBMEOPXVDGQJJ-UHFFFAOYSA-N 1 0 380.539 1.796 20 0 GDADRO COc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)c(Br)c1 ZINC000624387354 531840877 /nfs/dbraw/zinc/84/08/77/531840877.db2.gz MHVSBXACBFYTBY-UHFFFAOYSA-N 1 0 379.276 1.244 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2ccc(Br)c(Cl)c2)CCOCC1 ZINC000624387566 531841072 /nfs/dbraw/zinc/84/10/72/531841072.db2.gz UVWHUPKYYALUGH-UHFFFAOYSA-N 1 0 383.695 1.889 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624388179 531841368 /nfs/dbraw/zinc/84/13/68/531841368.db2.gz OXNDMFPGUSARQD-UHFFFAOYSA-N 1 0 391.877 1.093 20 0 GDADRO CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000624389471 531841498 /nfs/dbraw/zinc/84/14/98/531841498.db2.gz BUKWKCTZZLVKSG-YPMHNXCESA-N 1 0 379.404 1.194 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC1 ZINC000418802742 531842291 /nfs/dbraw/zinc/84/22/91/531842291.db2.gz DMPFOTSGKWYQTC-JPPWEJMLSA-N 1 0 386.315 1.869 20 0 GDADRO CCOc1ccc(S(=O)(=O)N(C)CCOCC[NH2+]C)cc1Br ZINC000624397274 531842485 /nfs/dbraw/zinc/84/24/85/531842485.db2.gz VJJMWLVKKVGQTH-UHFFFAOYSA-N 1 0 395.319 1.704 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000418804492 531842692 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396.285 1.161 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563452334 531845616 /nfs/dbraw/zinc/84/56/16/531845616.db2.gz VTINZUSKLSDXRO-ZIAGYGMSSA-N 1 0 381.274 1.211 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(I)cn2)n1 ZINC000455199842 531865910 /nfs/dbraw/zinc/86/59/10/531865910.db2.gz BOZAHTZQBGIFJV-UHFFFAOYSA-N 1 0 385.209 1.697 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000418941428 531867770 /nfs/dbraw/zinc/86/77/70/531867770.db2.gz KRITUPQLRZJFRK-RIEGTJTDSA-N 1 0 380.286 1.796 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000418938119 531868050 /nfs/dbraw/zinc/86/80/50/531868050.db2.gz PFEGGIJJZLVKED-ZDUSSCGKSA-N 1 0 394.313 1.794 20 0 GDADRO O=C(CNC(=O)CN1CC[C@H]2CC[NH2+][C@H]2C1)Nc1ccccc1Br ZINC000643068834 531868308 /nfs/dbraw/zinc/86/83/08/531868308.db2.gz LVZANNNWQZOBQH-DOMZBBRYSA-N 1 0 395.301 1.188 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1cc(F)cc(Br)c1)C1CCCC1 ZINC000418945660 531868723 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CCCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cn1)[C@H]1CC[NH2+]C1 ZINC000418866857 531858580 /nfs/dbraw/zinc/85/85/80/531858580.db2.gz NJWVCEGBTKLDTF-YPMHNXCESA-N 1 0 383.290 1.622 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CCO1 ZINC000642351384 531858823 /nfs/dbraw/zinc/85/88/23/531858823.db2.gz NUPFCKDXXKAPIO-ABAIWWIYSA-N 1 0 388.295 1.617 20 0 GDADRO C[C@@H](c1ncc(Br)cn1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000367736617 531858930 /nfs/dbraw/zinc/85/89/30/531858930.db2.gz HCDAOXAETAKSGI-GXTWGEPZSA-N 1 0 382.306 1.539 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418870451 531859362 /nfs/dbraw/zinc/85/93/62/531859362.db2.gz SEMKHAHGDWACFG-CYBMUJFWSA-N 1 0 387.311 1.804 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)NCc1cc(Br)ccc1C ZINC000672003028 531860609 /nfs/dbraw/zinc/86/06/09/531860609.db2.gz UMUHUCSLQKOCHM-UHFFFAOYSA-N 1 0 386.290 1.068 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1cccc(Br)c1 ZINC000642710661 531861833 /nfs/dbraw/zinc/86/18/33/531861833.db2.gz CGKIVFIXBROYIQ-SLEUVZQESA-N 1 0 380.286 1.837 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C3(C[NH3+])CCC3)C2)s1 ZINC000563701022 531862499 /nfs/dbraw/zinc/86/24/99/531862499.db2.gz OIXUQZHUXKZWAY-CQSZACIVSA-N 1 0 385.555 1.797 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2OC)CC[C@H]1[NH3+] ZINC000642724558 531862729 /nfs/dbraw/zinc/86/27/29/531862729.db2.gz XZKKSNKLZQSAMR-SMDDNHRTSA-N 1 0 398.301 1.660 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)cc1Br ZINC000642740685 531863181 /nfs/dbraw/zinc/86/31/81/531863181.db2.gz BEXXGDVQXXGJTE-GFCCVEGCSA-N 1 0 384.274 1.332 20 0 GDADRO C[C@H](CSCCF)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000595005068 531864472 /nfs/dbraw/zinc/86/44/72/531864472.db2.gz WTUFQTGOQGUTQD-CQSZACIVSA-N 1 0 376.519 1.888 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418928629 531865124 /nfs/dbraw/zinc/86/51/24/531865124.db2.gz ZNRDBWOENOLJBV-STQMWFEESA-N 1 0 386.265 1.633 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000367791681 531865324 /nfs/dbraw/zinc/86/53/24/531865324.db2.gz JOJFEEYSLQFWJZ-DDTOSNHZSA-N 1 0 377.869 1.746 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000418950467 531870593 /nfs/dbraw/zinc/87/05/93/531870593.db2.gz OXCYQBWIPKBKGR-CHWSQXEVSA-N 1 0 398.301 1.387 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCOc3cccc(Br)c3)C[C@H]12 ZINC000418949349 531870733 /nfs/dbraw/zinc/87/07/33/531870733.db2.gz OCHPRFVXDJKIJC-TUKIKUTGSA-N 1 0 396.285 1.140 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000564959749 531871015 /nfs/dbraw/zinc/87/10/15/531871015.db2.gz LXEMUSZNMPQXBC-CYBMUJFWSA-N 1 0 378.516 1.093 20 0 GDADRO CCOC(=O)c1c2c(sc1NC(=O)N[C@H](C)C[NH2+]C)CS(=O)(=O)CC2 ZINC000595242999 531871141 /nfs/dbraw/zinc/87/11/41/531871141.db2.gz UYENJHYFUIORDF-SECBINFHSA-N 1 0 389.499 1.125 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)[C@@H]1C[NH3+] ZINC000418954716 531871917 /nfs/dbraw/zinc/87/19/17/531871917.db2.gz XLMPQBSCFUZKQB-QMTHXVAHSA-N 1 0 386.265 1.790 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCOc2cccc(Br)c2)CC[NH2+]1 ZINC000418957981 531872194 /nfs/dbraw/zinc/87/21/94/531872194.db2.gz XRIKFGGUVCKNAB-AAEUAGOBSA-N 1 0 384.274 1.201 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(I)cn1 ZINC000455478559 531873124 /nfs/dbraw/zinc/87/31/24/531873124.db2.gz VBFSZTSRFRGLLJ-GFCCVEGCSA-N 1 0 389.237 1.527 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)C[C@]2(OC(C)C)CCOC2)C[C@H]1[NH+]1CCCC1 ZINC000595335487 531874467 /nfs/dbraw/zinc/87/44/67/531874467.db2.gz YIARLEBKVDFLGR-ZACQAIPSSA-N 1 0 392.587 1.412 20 0 GDADRO C[NH+](C)C1CCN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1 ZINC000367902986 531874585 /nfs/dbraw/zinc/87/45/85/531874585.db2.gz JCTVUIDOZDQGRO-UHFFFAOYSA-N 1 0 385.917 1.520 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418991363 531875206 /nfs/dbraw/zinc/87/52/06/531875206.db2.gz MPUXNPJUAXOYPU-ZFWWWQNUSA-N 1 0 382.302 1.742 20 0 GDADRO COc1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)nc1I ZINC000270473912 531876356 /nfs/dbraw/zinc/87/63/56/531876356.db2.gz HWTDWFIYIPOCQW-SNVBAGLBSA-N 1 0 389.237 1.719 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000418995703 531877443 /nfs/dbraw/zinc/87/74/43/531877443.db2.gz DIZPWDSIQQDHLW-GHMZBOCLSA-N 1 0 381.420 1.244 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000419009733 531878176 /nfs/dbraw/zinc/87/81/76/531878176.db2.gz NXYJIPKKTCAEOH-LLVKDONJSA-N 1 0 386.290 1.703 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1Br ZINC000419004557 531878429 /nfs/dbraw/zinc/87/84/29/531878429.db2.gz FMHXPWLERFXXPV-JQWIXIFHSA-N 1 0 384.274 1.503 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000419010014 531878800 /nfs/dbraw/zinc/87/88/00/531878800.db2.gz OTOOOSGUFFVJQL-VXGBXAGGSA-N 1 0 398.301 1.703 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1Br ZINC000419008470 531878830 /nfs/dbraw/zinc/87/88/30/531878830.db2.gz LKLBBZMDNNZBEH-MJVIPROJSA-N 1 0 398.301 1.892 20 0 GDADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1SCCc2sccc21 ZINC000566102626 531879929 /nfs/dbraw/zinc/87/99/29/531879929.db2.gz GIGHCWOUTQIOBJ-COXVUDFISA-N 1 0 379.551 1.842 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595405416 531881349 /nfs/dbraw/zinc/88/13/49/531881349.db2.gz XQGSPEQKYIXTIK-LBPRGKRZSA-N 1 0 376.500 1.266 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)Nc1cccc(Br)c1 ZINC000298371374 531882012 /nfs/dbraw/zinc/88/20/12/531882012.db2.gz CXHPCVHBOXHKQU-INIZCTEOSA-N 1 0 395.257 1.452 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000566249039 531882444 /nfs/dbraw/zinc/88/24/44/531882444.db2.gz KFJINDPLBWLTPL-JTQLQIEISA-N 1 0 391.193 1.594 20 0 GDADRO CO[C@H]1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[C@H](C[NH3+])C1 ZINC000566248479 531882950 /nfs/dbraw/zinc/88/29/50/531882950.db2.gz FBAXXPXRZLDCKH-RYUDHWBXSA-N 1 0 375.878 1.290 20 0 GDADRO CC(C)[N@H+](C)CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000298397969 531883515 /nfs/dbraw/zinc/88/35/15/531883515.db2.gz LDAGZXQBJBMDEI-UHFFFAOYSA-N 1 0 375.922 1.807 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)c1cn(CC[NH3+])nn1 ZINC000566689164 531891170 /nfs/dbraw/zinc/89/11/70/531891170.db2.gz KJNMGDAJLFWOHR-UHFFFAOYSA-N 1 0 382.262 1.371 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)Oc1ccccc1Br ZINC000566728411 531893405 /nfs/dbraw/zinc/89/34/05/531893405.db2.gz TYCBPISEQVWIDZ-QWHCGFSZSA-N 1 0 398.301 1.530 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1OC ZINC000270563161 531894537 /nfs/dbraw/zinc/89/45/37/531894537.db2.gz KWFPMJXCGVYYST-BXUZGUMPSA-N 1 0 378.491 1.509 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000368121442 531894848 /nfs/dbraw/zinc/89/48/48/531894848.db2.gz HVDYDBSWLAMTQI-UHFFFAOYSA-N 1 0 385.917 1.751 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)CC[NH2+]1 ZINC000419057115 531895142 /nfs/dbraw/zinc/89/51/42/531895142.db2.gz TUKVQGQLFSDUHD-KOLCDFICSA-N 1 0 388.693 1.975 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000298508994 531895733 /nfs/dbraw/zinc/89/57/33/531895733.db2.gz VGAPEANBHAUPKC-UHFFFAOYSA-N 1 0 376.425 1.518 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419066447 531895867 /nfs/dbraw/zinc/89/58/67/531895867.db2.gz JPDLFEZIZQVBRD-ONGXEEELSA-N 1 0 388.693 1.914 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707812 531895989 /nfs/dbraw/zinc/89/59/89/531895989.db2.gz DTHZAWGPZGSULO-OLZOCXBDSA-N 1 0 383.290 1.191 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419066444 531896317 /nfs/dbraw/zinc/89/63/17/531896317.db2.gz JPDLFEZIZQVBRD-GXSJLCMTSA-N 1 0 388.693 1.914 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419074989 531898026 /nfs/dbraw/zinc/89/80/26/531898026.db2.gz FNEOJJOCYRHFFS-IUODEOHRSA-N 1 0 394.313 1.711 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419078523 531898181 /nfs/dbraw/zinc/89/81/81/531898181.db2.gz ZBDORSSWIVNAAX-NOZJJQNGSA-N 1 0 388.693 1.833 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000647732722 531898520 /nfs/dbraw/zinc/89/85/20/531898520.db2.gz VFFUICKTVGLFAD-MNOVXSKESA-N 1 0 379.404 1.179 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C[C@H](C)[NH2+]1 ZINC000419082881 531898809 /nfs/dbraw/zinc/89/88/09/531898809.db2.gz VGFXGCGWSPNYBX-BETUJISGSA-N 1 0 394.313 1.806 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1)C1CC1 ZINC000419081001 531899018 /nfs/dbraw/zinc/89/90/18/531899018.db2.gz QXHGGKAZSHYHQV-AWEZNQCLSA-N 1 0 380.286 1.450 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(C(F)(F)F)cs1 ZINC000419036115 531884695 /nfs/dbraw/zinc/88/46/95/531884695.db2.gz AUOHQLYSJZBBCZ-AEJSXWLSSA-N 1 0 376.404 1.692 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419029947 531884948 /nfs/dbraw/zinc/88/49/48/531884948.db2.gz YZFAIZXVEDBEHR-TZMCWYRMSA-N 1 0 396.285 1.647 20 0 GDADRO CCCN(C(=O)C(=O)NCc1ccc(Br)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000419039107 531885974 /nfs/dbraw/zinc/88/59/74/531885974.db2.gz KNIZIQHBICXRAQ-GFCCVEGCSA-N 1 0 386.265 1.805 20 0 GDADRO O=C(N[C@H]1CCOc2c(Br)cccc21)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419036768 531886024 /nfs/dbraw/zinc/88/60/24/531886024.db2.gz HAJHLQOELGKZOT-FZMZJTMJSA-N 1 0 396.285 1.647 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419036752 531886151 /nfs/dbraw/zinc/88/61/51/531886151.db2.gz GZRFJMVKQNLDQY-FZMZJTMJSA-N 1 0 396.285 1.505 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419036532 531886247 /nfs/dbraw/zinc/88/62/47/531886247.db2.gz BHELHZLQCRLNGG-VHSXEESVSA-N 1 0 375.803 1.766 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000419038269 531886348 /nfs/dbraw/zinc/88/63/48/531886348.db2.gz FEFXJQOTQSPFIM-GUBZILKMSA-N 1 0 378.420 1.925 20 0 GDADRO COC(=O)CNC(=O)CC[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595723619 531888059 /nfs/dbraw/zinc/88/80/59/531888059.db2.gz ZLZNRSZBMLDUDI-UHFFFAOYSA-N 1 0 384.274 1.250 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419044167 531888179 /nfs/dbraw/zinc/88/81/79/531888179.db2.gz SLKCIQKZFFLRKO-GYSYKLTISA-N 1 0 396.285 1.775 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000419042555 531888841 /nfs/dbraw/zinc/88/88/41/531888841.db2.gz LVBIVNLJXAFTFN-NXEZZACHSA-N 1 0 378.420 1.940 20 0 GDADRO CCc1ccc(CS(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000566503774 531888941 /nfs/dbraw/zinc/88/89/41/531888941.db2.gz ORUDNIDPOJCBBV-HNNXBMFYSA-N 1 0 379.448 1.505 20 0 GDADRO CC(C)(CNC(=O)C1([NH3+])CCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000646032676 531889003 /nfs/dbraw/zinc/88/90/03/531889003.db2.gz ROFGYUJEMCIHIH-UHFFFAOYSA-N 1 0 389.315 1.999 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)CC1 ZINC000419046042 531889726 /nfs/dbraw/zinc/88/97/26/531889726.db2.gz XFLXEWPLOJHUGG-UHFFFAOYSA-N 1 0 386.265 1.662 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000298454174 531889840 /nfs/dbraw/zinc/88/98/40/531889840.db2.gz QANCJPCPLCZROQ-UHFFFAOYSA-N 1 0 385.917 1.751 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)C1 ZINC000419044656 531889906 /nfs/dbraw/zinc/88/99/06/531889906.db2.gz UMHAOBNYSZOPPQ-LBPRGKRZSA-N 1 0 386.265 1.662 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2ccnc(OCC(F)(F)F)n2)C[C@@H]1[NH+](C)C ZINC000455996426 531890080 /nfs/dbraw/zinc/89/00/80/531890080.db2.gz YYUJBUIWWUAFSA-VHSXEESVSA-N 1 0 379.408 1.927 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(OC)c(I)n2)C1 ZINC000270541608 531890033 /nfs/dbraw/zinc/89/00/33/531890033.db2.gz XITHYSNVPPVFHN-SNVBAGLBSA-N 1 0 389.237 1.766 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC[C@H](C)[NH+](C)C ZINC000298452651 531890114 /nfs/dbraw/zinc/89/01/14/531890114.db2.gz VGYLRNVEHGRWAG-GOEBONIOSA-N 1 0 387.571 1.461 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647967716 531906355 /nfs/dbraw/zinc/90/63/55/531906355.db2.gz XPEGAFLOLPMFAQ-UHFFFAOYSA-N 1 0 379.262 1.855 20 0 GDADRO COC(=O)C(C)(C)c1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000596053416 531906996 /nfs/dbraw/zinc/90/69/96/531906996.db2.gz ZXUTVAGLAOBEBT-LBPRGKRZSA-N 1 0 382.404 1.647 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Br ZINC000419161834 531907430 /nfs/dbraw/zinc/90/74/30/531907430.db2.gz FIEYVRXUJRKWSJ-RISCZKNCSA-N 1 0 382.302 1.817 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000419162384 531907552 /nfs/dbraw/zinc/90/75/52/531907552.db2.gz HDKGYWUPJKHZKI-OLZOCXBDSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCc2cc(F)ccc2Br)C[C@@H]1C[NH3+] ZINC000419162064 531907561 /nfs/dbraw/zinc/90/75/61/531907561.db2.gz SZDUIHHEDLBRQX-JQWIXIFHSA-N 1 0 386.265 1.648 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419166090 531908254 /nfs/dbraw/zinc/90/82/54/531908254.db2.gz OGPJMDXNMGVBSJ-LLVKDONJSA-N 1 0 376.284 1.740 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1Br ZINC000419166098 531908722 /nfs/dbraw/zinc/90/87/22/531908722.db2.gz OIAZPYCBMAQKLK-KGLIPLIRSA-N 1 0 380.286 1.442 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000419190054 531910201 /nfs/dbraw/zinc/91/02/01/531910201.db2.gz MJKFLJYMRHMICM-OAHLLOKOSA-N 1 0 384.318 1.940 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cc(Br)cs1 ZINC000283933084 531910386 /nfs/dbraw/zinc/91/03/86/531910386.db2.gz NHQBBGHYERGBCQ-ZANVPECISA-N 1 0 386.315 1.726 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419188659 531910651 /nfs/dbraw/zinc/91/06/51/531910651.db2.gz KKRURNBDIWUUAH-QGZVFWFLSA-N 1 0 380.286 1.320 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419199317 531911553 /nfs/dbraw/zinc/91/15/53/531911553.db2.gz CWLZEPBMKYYNCL-BXUZGUMPSA-N 1 0 398.301 1.708 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000419193387 531911815 /nfs/dbraw/zinc/91/18/15/531911815.db2.gz QRHZKTOQVLTIRD-CABCVRRESA-N 1 0 398.301 1.073 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000675817789 531911846 /nfs/dbraw/zinc/91/18/46/531911846.db2.gz ZJFAPKZLXCNJEI-INIZCTEOSA-N 1 0 387.933 1.721 20 0 GDADRO O=C(NC1CC[NH+](CCO)CC1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674627826 531900436 /nfs/dbraw/zinc/90/04/36/531900436.db2.gz OAUGGDWYEJQZIP-GHMZBOCLSA-N 1 0 377.329 1.825 20 0 GDADRO O=C(CC[NH+]1[C@@H](CO)CC[C@@H]1CO)Nc1ccc(Br)cc1F ZINC000298598960 531902660 /nfs/dbraw/zinc/90/26/60/531902660.db2.gz SFLOONAGZNQLOC-VXGBXAGGSA-N 1 0 375.238 1.734 20 0 GDADRO O=C(NCc1ccc(Br)cc1Cl)C(=O)NCC1=CC[NH2+]CC1 ZINC000419129891 531903315 /nfs/dbraw/zinc/90/33/15/531903315.db2.gz DPLQKTXWYRRVNY-UHFFFAOYSA-N 1 0 386.677 1.755 20 0 GDADRO CO[C@H]1CCN(CCS(=O)(=O)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000647906986 531903693 /nfs/dbraw/zinc/90/36/93/531903693.db2.gz QFRHPZLAJYLHOE-KBPBESRZSA-N 1 0 391.331 1.661 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccccc1Br ZINC000419145433 531903847 /nfs/dbraw/zinc/90/38/47/531903847.db2.gz LAKAZEBYFDRIQB-ZWNOBZJWSA-N 1 0 384.274 1.295 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)o2)CC1 ZINC000298605221 531904231 /nfs/dbraw/zinc/90/42/31/531904231.db2.gz HRRBDBQGCTVEPB-UHFFFAOYSA-N 1 0 386.290 1.943 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000568749390 531917291 /nfs/dbraw/zinc/91/72/91/531917291.db2.gz XLGCULGIBGRGHP-GFCCVEGCSA-N 1 0 375.288 1.433 20 0 GDADRO COc1cc(OC)c(NC(=O)NCCOCCC[NH3+])cc1Br ZINC000625880990 531917450 /nfs/dbraw/zinc/91/74/50/531917450.db2.gz ZFZZSNKQSPPFCO-UHFFFAOYSA-N 1 0 376.251 1.953 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000419251874 531918041 /nfs/dbraw/zinc/91/80/41/531918041.db2.gz RQVXVKOYIRLWPZ-CWSCBRNRSA-N 1 0 398.326 1.908 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000419251875 531918071 /nfs/dbraw/zinc/91/80/71/531918071.db2.gz RQVXVKOYIRLWPZ-KWBADKCTSA-N 1 0 398.326 1.908 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCCOc2ccc(Br)cc2)CCCCC1 ZINC000419255418 531918148 /nfs/dbraw/zinc/91/81/48/531918148.db2.gz GJXUVHUMVWRJKB-UHFFFAOYSA-N 1 0 398.301 1.722 20 0 GDADRO CN(C)C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000625983480 531920594 /nfs/dbraw/zinc/92/05/94/531920594.db2.gz RJRXBYUSDUOAID-PBHICJAKSA-N 1 0 376.328 1.879 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)CC[NH2+]1 ZINC000419328444 531923775 /nfs/dbraw/zinc/92/37/75/531923775.db2.gz FOYRMVTYTMGQTD-ZYHUDNBSSA-N 1 0 380.901 1.865 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000626165764 531924880 /nfs/dbraw/zinc/92/48/80/531924880.db2.gz FNHFGPIDWXZSML-CJNGLKHVSA-N 1 0 383.539 1.751 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419332701 531925523 /nfs/dbraw/zinc/92/55/23/531925523.db2.gz LCCKVSSINGHEQJ-GXFFZTMASA-N 1 0 380.901 1.723 20 0 GDADRO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000649378620 531926183 /nfs/dbraw/zinc/92/61/83/531926183.db2.gz OQFQHRQBGIYCHH-ZDUSSCGKSA-N 1 0 382.302 1.902 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(Br)ccc1OC ZINC000419209929 531914930 /nfs/dbraw/zinc/91/49/30/531914930.db2.gz UHXAQXWYYCTJRX-AWEZNQCLSA-N 1 0 398.301 1.674 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000568730795 531915373 /nfs/dbraw/zinc/91/53/73/531915373.db2.gz LWZSJTJYNOJWJH-OAHLLOKOSA-N 1 0 399.333 1.675 20 0 GDADRO Cc1nc(CNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)sc1Br ZINC000568741986 531915738 /nfs/dbraw/zinc/91/57/38/531915738.db2.gz AFYBLXPAOQFHCT-UMNHJUIQSA-N 1 0 378.336 1.774 20 0 GDADRO O=C(C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)Nc1cnccn1 ZINC000625797605 531916203 /nfs/dbraw/zinc/91/62/03/531916203.db2.gz WILYCUKWXZQHDU-KRWDZBQOSA-N 1 0 391.269 1.687 20 0 GDADRO O=C(N[C@H]1CSc2ccc(Br)cc21)C(=O)NC1CC[NH2+]CC1 ZINC000419242132 531916311 /nfs/dbraw/zinc/91/63/11/531916311.db2.gz HNLMRJXAVSHNOG-LBPRGKRZSA-N 1 0 384.299 1.580 20 0 GDADRO OC[C@]1([NH2+]C[C@@H](O)CC2(O)CCC2)CCc2cc(Br)ccc2C1 ZINC000625797412 531916410 /nfs/dbraw/zinc/91/64/10/531916410.db2.gz VPZHXRNXUXBBRI-IRXDYDNUSA-N 1 0 384.314 1.925 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000568764456 531916900 /nfs/dbraw/zinc/91/69/00/531916900.db2.gz QTIKXECEEIOEDO-KBPBESRZSA-N 1 0 389.543 1.217 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000625875873 531916932 /nfs/dbraw/zinc/91/69/32/531916932.db2.gz NYKIRFRLNZZXSF-UHFFFAOYSA-N 1 0 379.429 1.727 20 0 GDADRO O=C(NCCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000368684635 531929495 /nfs/dbraw/zinc/92/94/95/531929495.db2.gz VWJUPLBRPAXVDG-JKSUJKDBSA-N 1 0 394.313 1.931 20 0 GDADRO 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AALQJOWNRYIFAW-AWEZNQCLSA-N 1 0 398.301 1.291 20 0 GDADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NCc2ccc(Cl)s2)CC1 ZINC000419694928 531957598 /nfs/dbraw/zinc/95/75/98/531957598.db2.gz QXQHYHCEWZMACZ-ZFWWWQNUSA-N 1 0 385.917 1.763 20 0 GDADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)NCc3ccc(Cl)s3)CC2)C1 ZINC000419698341 531957872 /nfs/dbraw/zinc/95/78/72/531957872.db2.gz YTQMVRIMYWMLKC-OCCSQVGLSA-N 1 0 385.917 1.763 20 0 GDADRO Cc1c(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)sc2ccc(Cl)cc12 ZINC000419705998 531959426 /nfs/dbraw/zinc/95/94/26/531959426.db2.gz JOJKGPWEEGAWEX-LBPRGKRZSA-N 1 0 381.885 1.665 20 0 GDADRO CCN(C(=O)CCNS(=O)(=O)c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000627621083 531959577 /nfs/dbraw/zinc/95/95/77/531959577.db2.gz CMFSQFLBNOJDCZ-UHFFFAOYSA-N 1 0 387.933 1.951 20 0 GDADRO CN(CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)S(=O)(=O)c1ccc(Cl)cc1 ZINC000299117542 531960154 /nfs/dbraw/zinc/96/01/54/531960154.db2.gz XEMGSSVFTJUJDZ-HOTGVXAUSA-N 1 0 385.917 1.704 20 0 GDADRO C[C@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccc([S@](C)=O)cc1 ZINC000299114952 531960316 /nfs/dbraw/zinc/96/03/16/531960316.db2.gz VKDFZSNMAUAQNQ-FORDYWAESA-N 1 0 379.404 1.853 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2cc(Br)cnc2OC)CC[C@@H]1[NH3+] ZINC000627455613 531952429 /nfs/dbraw/zinc/95/24/29/531952429.db2.gz CINHTFOMYKJBFY-MFKMUULPSA-N 1 0 399.289 1.055 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)C[C@H](C)[NH2+]1 ZINC000419685263 531955151 /nfs/dbraw/zinc/95/51/51/531955151.db2.gz ZNLJPKANWSZHSX-PHIMTYICSA-N 1 0 393.285 1.755 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000419685166 531955335 /nfs/dbraw/zinc/95/53/35/531955335.db2.gz ZFKYWKXBJIZQGU-UHFFFAOYSA-N 1 0 393.285 1.744 20 0 GDADRO COc1ccc(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)c(Br)c1OC ZINC000571997900 531956386 /nfs/dbraw/zinc/95/63/86/531956386.db2.gz KOBZSUJRAIJBES-INIZCTEOSA-N 1 0 398.257 1.640 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000271097639 531965548 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C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419803795 531971175 /nfs/dbraw/zinc/97/11/75/531971175.db2.gz COVQKUHUPDDILB-SWLSCSKDSA-N 1 0 382.302 1.836 20 0 GDADRO CC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000572848208 531971965 /nfs/dbraw/zinc/97/19/65/531971965.db2.gz YOEOGRGDWIMALN-ZIAGYGMSSA-N 1 0 386.543 1.152 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419816732 531973455 /nfs/dbraw/zinc/97/34/55/531973455.db2.gz KJGSZJPJDBOZDM-AEZOWIDVSA-N 1 0 394.313 1.896 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000271154684 531973863 /nfs/dbraw/zinc/97/38/63/531973863.db2.gz YDONAKZROCISDP-ZDUSSCGKSA-N 1 0 389.905 1.309 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000299278113 531974157 /nfs/dbraw/zinc/97/41/57/531974157.db2.gz LOEFKWWOOAGXBJ-GJZGRUSLSA-N 1 0 387.571 1.901 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419824234 531974306 /nfs/dbraw/zinc/97/43/06/531974306.db2.gz PIDSVPABBWHHPN-GZBFAFLISA-N 1 0 396.329 1.940 20 0 GDADRO CN(Cc1cc(Br)ccc1Cl)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419835995 531975110 /nfs/dbraw/zinc/97/51/10/531975110.db2.gz BCXULEYSJBIQAD-GFCCVEGCSA-N 1 0 388.693 1.929 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000419832424 531975537 /nfs/dbraw/zinc/97/55/37/531975537.db2.gz JIMWJLFEAKIUBT-UHFFFAOYSA-N 1 0 388.295 1.966 20 0 GDADRO COCCN(Cc1sccc1Br)C(=O)C(=O)NCCCC[NH3+] ZINC000419842837 531976235 /nfs/dbraw/zinc/97/62/35/531976235.db2.gz MDGGXPNUKISGLL-UHFFFAOYSA-N 1 0 392.319 1.341 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000419849929 531977860 /nfs/dbraw/zinc/97/78/60/531977860.db2.gz DAUVXHUAWAMHOU-OAHLLOKOSA-N 1 0 395.301 1.766 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cnn2cc(Br)cnc12 ZINC000573244317 531978374 /nfs/dbraw/zinc/97/83/74/531978374.db2.gz AOZWDSJBZDBQHZ-UHFFFAOYSA-N 1 0 383.294 1.105 20 0 GDADRO 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384.933 1.289 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000370847365 532002286 /nfs/dbraw/zinc/00/22/86/532002286.db2.gz RFECLNFBARBOBG-YNEHKIRRSA-N 1 0 388.511 1.407 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000420096249 532000895 /nfs/dbraw/zinc/00/08/95/532000895.db2.gz GRPCAMOYMGVPGG-KYOSRNDESA-N 1 0 395.301 1.622 20 0 GDADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000657428929 532004492 /nfs/dbraw/zinc/00/44/92/532004492.db2.gz NWONFIOGHGYZNQ-HIFRSBDPSA-N 1 0 389.315 1.978 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1F ZINC000599101568 532004531 /nfs/dbraw/zinc/00/45/31/532004531.db2.gz RAFIOIXLJHBRTR-VWYCJHECSA-N 1 0 376.425 1.745 20 0 GDADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1c(F)cncc1Br)CCO2 ZINC000657427901 532005315 /nfs/dbraw/zinc/00/53/15/532005315.db2.gz GWAWXBPPJQRAFW-QMTHXVAHSA-N 1 0 393.278 1.809 20 0 GDADRO Cc1c(Br)cncc1C[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 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DDGXMKRLHFNNDH-UHFFFAOYSA-N 1 0 386.495 1.544 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)o1 ZINC000599100612 532005059 /nfs/dbraw/zinc/00/50/59/532005059.db2.gz KQNUUVPQQXYJFF-NXEZZACHSA-N 1 0 384.376 1.604 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000420167863 532007275 /nfs/dbraw/zinc/00/72/75/532007275.db2.gz SBLZSNONWBSQOS-GFCCVEGCSA-N 1 0 386.290 1.401 20 0 GDADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000657517880 532007707 /nfs/dbraw/zinc/00/77/07/532007707.db2.gz BKLVMTVHQYLMOT-GFCCVEGCSA-N 1 0 398.301 1.112 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000420221214 532009962 /nfs/dbraw/zinc/00/99/62/532009962.db2.gz ZUOONLBKYCNFMJ-WDEREUQCSA-N 1 0 398.276 1.717 20 0 GDADRO Cc1csc(C2(NS(=O)(=O)CCCN3CC[NH+](C)CC3)CCCC2)n1 ZINC000631957347 532008716 /nfs/dbraw/zinc/00/87/16/532008716.db2.gz SESCFXIUJQTIIO-UHFFFAOYSA-N 1 0 386.587 1.778 20 0 GDADRO 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[NH3+]CC[C@@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C(F)F ZINC000420458580 532017600 /nfs/dbraw/zinc/01/76/00/532017600.db2.gz JBVZOZZUOGYCPG-SNVBAGLBSA-N 1 0 389.346 1.240 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1F ZINC000599235836 532015805 /nfs/dbraw/zinc/01/58/05/532015805.db2.gz ABLHSFRMVPVVAH-LLVKDONJSA-N 1 0 376.425 1.714 20 0 GDADRO C[C@H]1NC(=O)N(CC[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1=O ZINC000459445409 532015830 /nfs/dbraw/zinc/01/58/30/532015830.db2.gz OHXJWXVEKUYNSX-PELKAZGASA-N 1 0 379.766 1.922 20 0 GDADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)sn1 ZINC000632171217 532017982 /nfs/dbraw/zinc/01/79/82/532017982.db2.gz VVQBRAASMWPKDX-CVEARBPZSA-N 1 0 381.523 1.613 20 0 GDADRO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000459531368 532020692 /nfs/dbraw/zinc/02/06/92/532020692.db2.gz CHEJXYXCQORBIX-GFCCVEGCSA-N 1 0 376.320 1.292 20 0 GDADRO CCOC1(CS(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)CCOCC1 ZINC000599279645 532023867 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Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000271660345 532037455 /nfs/dbraw/zinc/03/74/55/532037455.db2.gz OGURQHWTCRHWEU-GXSJLCMTSA-N 1 0 381.274 1.832 20 0 GDADRO Cc1cc(I)ccc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000599701745 532037720 /nfs/dbraw/zinc/03/77/20/532037720.db2.gz ZQSDDDXBGFBHRG-LBPRGKRZSA-N 1 0 389.237 1.788 20 0 GDADRO CSC1(CNC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC[NH+](C)CC1 ZINC000577906948 532041208 /nfs/dbraw/zinc/04/12/08/532041208.db2.gz CGQQDVGHYSOFFO-UHFFFAOYSA-N 1 0 389.518 1.754 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229567 532045011 /nfs/dbraw/zinc/04/50/11/532045011.db2.gz VYYDNDMWIRTZQC-CVEARBPZSA-N 1 0 391.603 1.571 20 0 GDADRO Cn1nc(Br)c2c1ncnc2NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000302228443 532046322 /nfs/dbraw/zinc/04/63/22/532046322.db2.gz ARJKEXKNFDSHED-UHFFFAOYSA-N 1 0 396.337 1.954 20 0 GDADRO CC[C@@H]([NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C1CC1 ZINC000271743626 532048873 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GDADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000578581913 532052284 /nfs/dbraw/zinc/05/22/84/532052284.db2.gz MIACREGXGZBYGM-GFCCVEGCSA-N 1 0 391.921 1.603 20 0 GDADRO O=C1CC[C@@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCN1 ZINC000634965770 532057444 /nfs/dbraw/zinc/05/74/44/532057444.db2.gz SUIBVGXJPODNJY-CQSZACIVSA-N 1 0 385.555 1.724 20 0 GDADRO OCc1cn(CCC[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000634720244 532056287 /nfs/dbraw/zinc/05/62/87/532056287.db2.gz HFLXBGNODRRZFF-CQSZACIVSA-N 1 0 375.256 1.497 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H]1CCNC(=O)CC1 ZINC000634982973 532058124 /nfs/dbraw/zinc/05/81/24/532058124.db2.gz AVBLEDRLWHHXQO-IUODEOHRSA-N 1 0 385.302 1.867 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000373005823 532058567 /nfs/dbraw/zinc/05/85/67/532058567.db2.gz ZGIZTNLMIPDYIV-UHFFFAOYSA-N 1 0 389.880 1.873 20 0 GDADRO CCC[NH+]1CCC(NS(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000601292568 532059724 /nfs/dbraw/zinc/05/97/24/532059724.db2.gz YNFGCTRHSJBUSG-HNNXBMFYSA-N 1 0 375.535 1.501 20 0 GDADRO Cc1nc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(Br)n1C ZINC000319248497 532065711 /nfs/dbraw/zinc/06/57/11/532065711.db2.gz YZDKMDVYLWOKCA-NWDGAFQWSA-N 1 0 391.335 1.596 20 0 GDADRO NC(=O)C1CCN(c2ncccc2CNS(=O)(=O)c2ccsc2)CC1 ZINC000285303124 532063967 /nfs/dbraw/zinc/06/39/67/532063967.db2.gz UWMKTJIVLZNKQB-UHFFFAOYSA-N 1 0 380.495 1.323 20 0 GDADRO O=C(CCOC1C[NH2+]C1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000579716796 532065559 /nfs/dbraw/zinc/06/55/59/532065559.db2.gz QGXIOZFYCFFSFV-ZDUSSCGKSA-N 1 0 382.302 1.770 20 0 GDADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCSC[C@H]2c2nccs2)C1 ZINC000422488185 532064307 /nfs/dbraw/zinc/06/43/07/532064307.db2.gz JMSHNPBSMLINKC-KGLIPLIRSA-N 1 0 382.555 1.608 20 0 GDADRO COC(=O)C1(O)CCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000373170172 532067441 /nfs/dbraw/zinc/06/74/41/532067441.db2.gz ZNYBREVXIDOBOI-UHFFFAOYSA-N 1 0 386.242 1.720 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000468549338 532067627 /nfs/dbraw/zinc/06/76/27/532067627.db2.gz UWYYIXBRVGAMSM-AWEZNQCLSA-N 1 0 382.302 1.818 20 0 GDADRO O=C(NCCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1)c1cccc(Br)c1 ZINC000422856740 532067977 /nfs/dbraw/zinc/06/79/77/532067977.db2.gz GASKDXRVHZFFHY-IAGOWNOFSA-N 1 0 396.329 1.926 20 0 GDADRO COC(=O)c1cncc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000579791178 532068028 /nfs/dbraw/zinc/06/80/28/532068028.db2.gz COJHSIUKVBNGTO-LSDHHAIUSA-N 1 0 385.511 1.069 20 0 GDADRO COC(=O)c1cncc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1 ZINC000579791175 532068402 /nfs/dbraw/zinc/06/84/02/532068402.db2.gz COJHSIUKVBNGTO-CABCVRRESA-N 1 0 385.511 1.069 20 0 GDADRO CSC1(CNC(=O)C(=O)Nc2cnn(CC(F)F)c2)CC[NH+](C)CC1 ZINC000579780130 532068827 /nfs/dbraw/zinc/06/88/27/532068827.db2.gz CQGCBOSZOLYZLJ-UHFFFAOYSA-N 1 0 375.445 1.030 20 0 GDADRO [NH3+]CCCn1cc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)nn1 ZINC000423078559 532071164 /nfs/dbraw/zinc/07/11/64/532071164.db2.gz WCYBFHVNHCTXBS-JTQLQIEISA-N 1 0 388.255 1.103 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423224476 532073730 /nfs/dbraw/zinc/07/37/30/532073730.db2.gz BZVJYIUVQRCCNT-UHFFFAOYSA-N 1 0 388.281 1.990 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423463099 532075287 /nfs/dbraw/zinc/07/52/87/532075287.db2.gz ALGJACHOAOVOAB-LLVKDONJSA-N 1 0 380.286 1.845 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3c(Br)cnn3C)C2)CC1 ZINC000602398239 532075359 /nfs/dbraw/zinc/07/53/59/532075359.db2.gz KGWXPJIMPYGICW-CYBMUJFWSA-N 1 0 399.337 1.104 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000324825612 532073964 /nfs/dbraw/zinc/07/39/64/532073964.db2.gz XNVNRDYHHUKTHD-UHFFFAOYSA-N 1 0 383.848 1.467 20 0 GDADRO Cc1cc(Br)c(CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)s1 ZINC000602520877 532078620 /nfs/dbraw/zinc/07/86/20/532078620.db2.gz KPHKLRWPCXKPFQ-HXUWFJFHSA-N 1 0 379.345 1.936 20 0 GDADRO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000602523367 532078291 /nfs/dbraw/zinc/07/82/91/532078291.db2.gz GYTBPIARNOZQKM-ZXFNITATSA-N 1 0 392.297 1.497 20 0 GDADRO Cc1cc(C)c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)c1Br ZINC000602523749 532078450 /nfs/dbraw/zinc/07/84/50/532078450.db2.gz HTLZKFKWTCOTAR-QWHCGFSZSA-N 1 0 380.286 1.758 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602448215 532076590 /nfs/dbraw/zinc/07/65/90/532076590.db2.gz HBERQWRBDXJQBO-JOCHJYFZSA-N 1 0 389.315 1.575 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000423504686 532076947 /nfs/dbraw/zinc/07/69/47/532076947.db2.gz NSAGMJVMUXZFKQ-UHFFFAOYSA-N 1 0 398.301 1.627 20 0 GDADRO Cc1c(Cl)cccc1NC(=O)CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602449828 532077077 /nfs/dbraw/zinc/07/70/77/532077077.db2.gz SVBBJOGTQWLFBB-VWLOTQADSA-N 1 0 385.917 1.594 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000469728088 532077385 /nfs/dbraw/zinc/07/73/85/532077385.db2.gz HTDHIXLKOAQBTH-OCCSQVGLSA-N 1 0 397.317 1.648 20 0 GDADRO C[S@@](=O)C1(C(=O)NCCc2ccc(OC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000602443413 532077456 /nfs/dbraw/zinc/07/74/56/532077456.db2.gz UZFZBUBIZPVEDI-RUZDIDTESA-N 1 0 378.416 1.745 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000423934580 532080513 /nfs/dbraw/zinc/08/05/13/532080513.db2.gz ZKSLCGXRQRPNJV-JTQLQIEISA-N 1 0 383.202 1.006 20 0 GDADRO C[S@](=O)C1(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[NH2+]CC1 ZINC000602504475 532078781 /nfs/dbraw/zinc/07/87/81/532078781.db2.gz QSVBVBMTTKIIGU-YDBLSZJJSA-N 1 0 387.908 1.675 20 0 GDADRO C[S@@](=O)C1(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)CC[NH2+]CC1 ZINC000602504792 532078900 /nfs/dbraw/zinc/07/89/00/532078900.db2.gz VOJAWFBSEXPVHT-RUZDIDTESA-N 1 0 387.908 1.628 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)[C@H]1C[NH3+] ZINC000423717645 532079011 /nfs/dbraw/zinc/07/90/11/532079011.db2.gz BFGIRAVMOONBGD-WFASDCNBSA-N 1 0 382.302 1.993 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CCO1 ZINC000423698417 532079202 /nfs/dbraw/zinc/07/92/02/532079202.db2.gz NDWXZKVYQASHLX-UKRRQHHQSA-N 1 0 383.901 1.219 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423702977 532079226 /nfs/dbraw/zinc/07/92/26/532079226.db2.gz BANZJTODCOLBHO-OAHLLOKOSA-N 1 0 385.555 1.297 20 0 GDADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000373427389 532080205 /nfs/dbraw/zinc/08/02/05/532080205.db2.gz RZPGMDDIWPYABF-BLLLJJGKSA-N 1 0 376.258 1.850 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000581429097 532081016 /nfs/dbraw/zinc/08/10/16/532081016.db2.gz VKHJFDAXYBEYOZ-QGZVFWFLSA-N 1 0 380.491 1.337 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)C[C@@H]1[NH3+] ZINC000423733163 532081066 /nfs/dbraw/zinc/08/10/66/532081066.db2.gz BLFWORNRWHYMTO-XPKDYRNWSA-N 1 0 394.313 1.646 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)C2)s1 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381.420 1.316 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000272304381 532090554 /nfs/dbraw/zinc/09/05/54/532090554.db2.gz QZBVKJKWYCPCRQ-YCPHGPKFSA-N 1 0 385.555 1.282 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)C(C)(C)C ZINC000604786900 532099379 /nfs/dbraw/zinc/09/93/79/532099379.db2.gz XLBCFYKEFOBIKM-CABCVRRESA-N 1 0 376.567 1.324 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000272340582 532092605 /nfs/dbraw/zinc/09/26/05/532092605.db2.gz WWYLYILUFVWYRU-SLEUVZQESA-N 1 0 380.286 1.998 20 0 GDADRO CS(=O)(=O)NCC1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000285557824 532093860 /nfs/dbraw/zinc/09/38/60/532093860.db2.gz VDSXNXBROBAHEY-MRXNPFEDSA-N 1 0 390.933 1.479 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)ccc3Cl)C[C@H]2[NH3+])cn1 ZINC000424446124 532094285 /nfs/dbraw/zinc/09/42/85/532094285.db2.gz HLANYXRVKILYNS-WCQYABFASA-N 1 0 382.251 1.619 20 0 GDADRO 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CS[C@@H]1CN(C(=O)C[C@H](NC(N)=O)c2cccs2)C[C@@H]1[NH+]1CCCC1 ZINC000273546757 532155723 /nfs/dbraw/zinc/15/57/23/532155723.db2.gz USBIXVNTHAGJFY-KCQAQPDRSA-N 1 0 382.555 1.886 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC000273312236 532144310 /nfs/dbraw/zinc/14/43/10/532144310.db2.gz NQVANEHKKSMNNJ-LSDHHAIUSA-N 1 0 390.933 1.649 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3csc(Br)c3)C[C@H]21 ZINC000331492744 532146500 /nfs/dbraw/zinc/14/65/00/532146500.db2.gz DDFWEGJMCKXDET-QJPTWQEYSA-N 1 0 386.315 1.713 20 0 GDADRO CS[C@H]1CN(Cc2csc(CS(C)(=O)=O)n2)C[C@@H]1[NH+]1CCCC1 ZINC000331532135 532148096 /nfs/dbraw/zinc/14/80/96/532148096.db2.gz HAUBSLRYIQXCEO-KBPBESRZSA-N 1 0 375.585 1.699 20 0 GDADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CC1 ZINC000273421562 532149730 /nfs/dbraw/zinc/14/97/30/532149730.db2.gz RVVKUFFEYRMXLN-CQSZACIVSA-N 1 0 389.905 1.543 20 0 GDADRO Cc1cc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1Br ZINC000332178560 532168349 /nfs/dbraw/zinc/16/83/49/532168349.db2.gz MXYHOYMKRBOPBE-DZGCQCFKSA-N 1 0 399.314 1.606 20 0 GDADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000286560035 532159148 /nfs/dbraw/zinc/15/91/48/532159148.db2.gz XSADCWRBVQXYLL-KBPBESRZSA-N 1 0 398.301 1.804 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Br)c2c(c1)OCCO2 ZINC000331993338 532159661 /nfs/dbraw/zinc/15/96/61/532159661.db2.gz HLOCOUDFEGXEEK-ZDUSSCGKSA-N 1 0 399.285 1.797 20 0 GDADRO COC(=O)CNC(=O)CC[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000375357653 532160664 /nfs/dbraw/zinc/16/06/64/532160664.db2.gz SQAVSVSPADKHBF-ZDUSSCGKSA-N 1 0 385.258 1.884 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000332085513 532163140 /nfs/dbraw/zinc/16/31/40/532163140.db2.gz QOVGIMJBTREOTB-LSDHHAIUSA-N 1 0 385.511 1.069 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1Br ZINC000286605213 532164140 /nfs/dbraw/zinc/16/41/40/532164140.db2.gz HFKRTSWKKLYWEX-VIFPVBQESA-N 1 0 381.292 1.695 20 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GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(c3ccccc3Br)CC2)CC[NH2+]1 ZINC000332498053 532190896 /nfs/dbraw/zinc/19/08/96/532190896.db2.gz FMEMMKGQLABBOQ-CYBMUJFWSA-N 1 0 394.313 1.975 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000332517460 532191757 /nfs/dbraw/zinc/19/17/57/532191757.db2.gz XQBRFEGGWJORRB-LLVKDONJSA-N 1 0 380.286 1.591 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000332531729 532193755 /nfs/dbraw/zinc/19/37/55/532193755.db2.gz HKPNAYKJTYHTCX-LLVKDONJSA-N 1 0 384.278 1.636 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000332543999 532194006 /nfs/dbraw/zinc/19/40/06/532194006.db2.gz FHSUGFNHEIRRHB-MNOVXSKESA-N 1 0 384.249 1.903 20 0 GDADRO C[NH+]1CCC(C)(CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000332553560 532194049 /nfs/dbraw/zinc/19/40/49/532194049.db2.gz IPBDFJJYYUAJBK-UHFFFAOYSA-N 1 0 379.935 1.528 20 0 GDADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nc2ncc(Br)cn2n1 ZINC000287086914 532194817 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CCOC(=O)c1csc(C2CC[NH+](CCCS(=O)(=O)NC)CC2)n1 ZINC000429589136 532231067 /nfs/dbraw/zinc/23/10/67/532231067.db2.gz MDTHCBWBJWOBHF-UHFFFAOYSA-N 1 0 375.516 1.439 20 0 GDADRO CCCCc1nnc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000429713739 532232493 /nfs/dbraw/zinc/23/24/93/532232493.db2.gz DYNRHZTVLKMIKB-NEPJUHHUSA-N 1 0 389.547 1.269 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NCc1ccccc1Cl ZINC000429718024 532232852 /nfs/dbraw/zinc/23/28/52/532232852.db2.gz MNKZTSGHWNBSPE-MAZHCROVSA-N 1 0 387.933 1.795 20 0 GDADRO C[C@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@@H]1CCC[NH2+]C1 ZINC000428976237 532219750 /nfs/dbraw/zinc/21/97/50/532219750.db2.gz ITBQWRFCNPXBMS-NWDGAFQWSA-N 1 0 393.285 1.663 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000429004232 532220905 /nfs/dbraw/zinc/22/09/05/532220905.db2.gz JDNNJYSPLXHDQC-RRFJBIMHSA-N 1 0 385.555 1.796 20 0 GDADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429015292 532221157 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532255461 /nfs/dbraw/zinc/25/54/61/532255461.db2.gz KBRCOIKXFJYNFA-QGZVFWFLSA-N 1 0 375.535 1.649 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430735139 532255894 /nfs/dbraw/zinc/25/58/94/532255894.db2.gz YIABODTWOGCXPF-PWSUYJOCSA-N 1 0 388.331 1.984 20 0 GDADRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCOC1 ZINC000430724346 532256175 /nfs/dbraw/zinc/25/61/75/532256175.db2.gz NQIMRPGEYHWWLR-IINYFYTJSA-N 1 0 393.303 1.553 20 0 GDADRO C[C@H]([NH2+]CCc1ccn(C)n1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430717811 532256404 /nfs/dbraw/zinc/25/64/04/532256404.db2.gz BHQRVLLPCPRANM-JTQLQIEISA-N 1 0 387.303 1.723 20 0 GDADRO C[C@H]1CN(CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000430938005 532258374 /nfs/dbraw/zinc/25/83/74/532258374.db2.gz GHLBJUWEDZXFHP-XJKSGUPXSA-N 1 0 384.318 1.955 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(F)cc1Br ZINC000275053271 532258529 /nfs/dbraw/zinc/25/85/29/532258529.db2.gz VHIMAMAGJBAMPV-AWEZNQCLSA-N 1 0 386.265 1.587 20 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CN(C)CC[NH+]1CCC(CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736769937 598911505 /nfs/dbraw/zinc/91/15/05/598911505.db2.gz XPJIHUUVDBAVCY-BQYQJAHWSA-N 1 0 383.500 1.270 20 0 GDADRO C[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCc2ccccc2C1 ZINC000736784064 598916504 /nfs/dbraw/zinc/91/65/04/598916504.db2.gz OWGNKYARFMKBJT-LJQANCHMSA-N 1 0 376.464 1.972 20 0 GDADRO C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736112959 598973128 /nfs/dbraw/zinc/97/31/28/598973128.db2.gz LHPXSCZVEVVGEB-CQSZACIVSA-N 1 0 387.488 1.680 20 0 GDADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000738117428 598974171 /nfs/dbraw/zinc/97/41/71/598974171.db2.gz SDHKDQVGXBGYRW-KRWDZBQOSA-N 1 0 385.472 1.309 20 0 GDADRO CC[NH+]1CCC(N(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736564520 598980460 /nfs/dbraw/zinc/98/04/60/598980460.db2.gz CEYNOZYFXVXVPS-UHFFFAOYSA-N 1 0 377.880 1.875 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000737032438 598986035 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393.451 1.792 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H]([NH2+]C(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000737547739 598505765 /nfs/dbraw/zinc/50/57/65/598505765.db2.gz KBQJFQOCUUDXRO-GXTWGEPZSA-N 1 0 375.477 1.866 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736266438 598506729 /nfs/dbraw/zinc/50/67/29/598506729.db2.gz HRAHFVWXDHHVNA-AWEZNQCLSA-N 1 0 378.502 1.551 20 0 GDADRO O=C(NCCOCC1CC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738083294 598513157 /nfs/dbraw/zinc/51/31/57/598513157.db2.gz UDOXYTRHGIMXRW-UHFFFAOYSA-N 1 0 399.499 1.511 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736854583 598516208 /nfs/dbraw/zinc/51/62/08/598516208.db2.gz DPGVDVQXNYKZKF-MRXNPFEDSA-N 1 0 398.515 1.430 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736855380 598516600 /nfs/dbraw/zinc/51/66/00/598516600.db2.gz GIBJUSKNNBMKGO-QGZVFWFLSA-N 1 0 398.515 1.036 20 0 GDADRO c1cn(CCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc12 ZINC000738442937 598517832 /nfs/dbraw/zinc/51/78/32/598517832.db2.gz SKARDFNVQKSSAV-AWEZNQCLSA-N 1 0 377.456 1.740 20 0 GDADRO CCc1ccc([C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N(C)C)cc1 ZINC000736683679 598517838 /nfs/dbraw/zinc/51/78/38/598517838.db2.gz FKWMLSLUJSAURP-CRAIPNDOSA-N 1 0 395.515 1.560 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@@H]1CCN(c3ccccc3)C1)C2 ZINC000738434587 598522411 /nfs/dbraw/zinc/52/24/11/598522411.db2.gz FATGLFQYUQFNGI-LSDHHAIUSA-N 1 0 379.472 1.221 20 0 GDADRO Cc1ccc(OCCCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737366514 598523971 /nfs/dbraw/zinc/52/39/71/598523971.db2.gz QSASDMNPGMBFLX-HNNXBMFYSA-N 1 0 382.472 1.862 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C1CCN(c3ccccc3)CC1)C2 ZINC000738434262 598525690 /nfs/dbraw/zinc/52/56/90/598525690.db2.gz BMJVSNJFFGUYSM-AWEZNQCLSA-N 1 0 379.472 1.364 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C1CCN(c3ccccc3)CC1)C2 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CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000821637514 606215338 /nfs/dbraw/zinc/21/53/38/606215338.db2.gz JJKXAJJXRCOGID-JTQLQIEISA-N 1 0 378.483 1.687 20 0 GDADRO C[C@@]1(c2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)NC(=O)NC1=O ZINC000820628925 606215543 /nfs/dbraw/zinc/21/55/43/606215543.db2.gz QNOVYBXOGXYGSO-KRWDZBQOSA-N 1 0 383.437 1.273 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@H](C)C1 ZINC000820769722 606223054 /nfs/dbraw/zinc/22/30/54/606223054.db2.gz WBKZCFRMMBJWHC-RISCZKNCSA-N 1 0 384.531 1.466 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820994302 606223331 /nfs/dbraw/zinc/22/33/31/606223331.db2.gz GNUVVWILYQQXAU-SWLSCSKDSA-N 1 0 398.558 1.857 20 0 GDADRO C[NH+](C)[C@]1(CNc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CCSC1 ZINC000821581451 606241444 /nfs/dbraw/zinc/24/14/44/606241444.db2.gz LTPAWWIVMVPSDJ-KRWDZBQOSA-N 1 0 391.451 1.964 20 0 GDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(-c4nn[nH]n4)cn3C)cc2)CC1 ZINC000821275781 606280342 /nfs/dbraw/zinc/28/03/42/606280342.db2.gz DBKKATBZGUGVAC-UHFFFAOYSA-N 1 0 394.483 1.595 20 0 GDADRO CCn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821568359 606309563 /nfs/dbraw/zinc/30/95/63/606309563.db2.gz QYDIYTDOUKIPFM-ZIAGYGMSSA-N 1 0 398.496 1.917 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821159278 606331805 /nfs/dbraw/zinc/33/18/05/606331805.db2.gz ACLDMUCPQYCQRI-JSGCOSHPSA-N 1 0 375.502 1.307 20 0 GDADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000823343580 606349793 /nfs/dbraw/zinc/34/97/93/606349793.db2.gz AAOKBODPOKRDFP-GFCCVEGCSA-N 1 0 389.435 1.628 20 0 GDADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000821000715 606391858 /nfs/dbraw/zinc/39/18/58/606391858.db2.gz IFVZFVYGUSPRMO-HOTGVXAUSA-N 1 0 399.503 1.332 20 0 GDADRO CC1(C)CC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC(C)(C)[NH2+]1 ZINC000820583829 606393472 /nfs/dbraw/zinc/39/34/72/606393472.db2.gz 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CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000820994258 606423804 /nfs/dbraw/zinc/42/38/04/606423804.db2.gz GBXXTXRQJGDKLI-TZMCWYRMSA-N 1 0 398.558 1.857 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC12CCOCC2 ZINC000821586056 606438670 /nfs/dbraw/zinc/43/86/70/606438670.db2.gz HWUCLGRAOUQHQT-QGZVFWFLSA-N 1 0 384.484 1.574 20 0 GDADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000823697476 606490189 /nfs/dbraw/zinc/49/01/89/606490189.db2.gz LREYPKSFUMFBTL-LSDHHAIUSA-N 1 0 394.426 1.499 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1N1CCOCC1 ZINC000820759967 606523660 /nfs/dbraw/zinc/52/36/60/606523660.db2.gz ORXJXMWVKGMXHG-IUODEOHRSA-N 1 0 394.426 1.621 20 0 GDADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)s1 ZINC000823190916 606524983 /nfs/dbraw/zinc/52/49/83/606524983.db2.gz GHSIPRQUZQAMEJ-UHFFFAOYSA-N 1 0 397.508 1.870 20 0 GDADRO CN(C(=O)c1cc(-c2nn[nH]n2)cs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000821573192 606541227 /nfs/dbraw/zinc/54/12/27/606541227.db2.gz FDFVQCOMEFZMSA-UHFFFAOYSA-N 1 0 386.485 1.361 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821587093 606552992 /nfs/dbraw/zinc/55/29/92/606552992.db2.gz GITCXRGDVYLRCY-UHFFFAOYSA-N 1 0 386.481 1.897 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821581799 606586659 /nfs/dbraw/zinc/58/66/59/606586659.db2.gz VBGQNOLYYCTCBP-JQWIXIFHSA-N 1 0 391.863 1.448 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)Nc2ncn(Cc3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000820129286 606588150 /nfs/dbraw/zinc/58/81/50/606588150.db2.gz XVUAWXHIJUYTCT-UHFFFAOYSA-N 1 0 395.471 1.565 20 0 GDADRO Cc1noc(C2CCC([NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822527991 606600450 /nfs/dbraw/zinc/60/04/50/606600450.db2.gz NIGWAGKYNWVSBV-YMAMQOFZSA-N 1 0 382.428 1.401 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821351255 606621848 /nfs/dbraw/zinc/62/18/48/606621848.db2.gz OAHBXOYIXLSCMW-CJNGLKHVSA-N 1 0 376.461 1.107 20 0 GDADRO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822477629 606622293 /nfs/dbraw/zinc/62/22/93/606622293.db2.gz NGGJOOJBHSYSOS-QGZVFWFLSA-N 1 0 380.456 1.865 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000823359588 606632351 /nfs/dbraw/zinc/63/23/51/606632351.db2.gz QGKLYMOJELCDIZ-AWEZNQCLSA-N 1 0 384.440 1.470 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000821413214 606632773 /nfs/dbraw/zinc/63/27/73/606632773.db2.gz YEAPCUCNZGTEIP-AWEZNQCLSA-N 1 0 391.476 1.744 20 0 GDADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820650975 606636277 /nfs/dbraw/zinc/63/62/77/606636277.db2.gz ZQJVHSUMOLYEIZ-JHJVBQTASA-N 1 0 396.492 1.651 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000822146433 606636516 /nfs/dbraw/zinc/63/65/16/606636516.db2.gz YBWYFQCNEXBSEF-UMVBOHGHSA-N 1 0 392.529 1.820 20 0 GDADRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821242527 606678959 /nfs/dbraw/zinc/67/89/59/606678959.db2.gz UWAVHFOEKARLRC-KDOFPFPSSA-N 1 0 399.499 1.760 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820705335 606699304 /nfs/dbraw/zinc/69/93/04/606699304.db2.gz UCWVVLVLYOKECX-JHJVBQTASA-N 1 0 389.508 1.120 20 0 GDADRO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000822293841 606702985 /nfs/dbraw/zinc/70/29/85/606702985.db2.gz NTTQDFKUUMQSAQ-ZDUSSCGKSA-N 1 0 397.487 1.680 20 0 GDADRO NC(=O)[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850831 606717658 /nfs/dbraw/zinc/71/76/58/606717658.db2.gz RLFWGZWBWJJHCE-MRXNPFEDSA-N 1 0 383.481 1.713 20 0 GDADRO OC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000823713646 606720555 /nfs/dbraw/zinc/72/05/55/606720555.db2.gz GWLZWUPIVPSQEZ-LPHOPBHVSA-N 1 0 381.436 1.198 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1 ZINC000821180833 606741314 /nfs/dbraw/zinc/74/13/14/606741314.db2.gz HSVMWSKHZNNCCS-LBPRGKRZSA-N 1 0 391.863 1.401 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000822505269 606770167 /nfs/dbraw/zinc/77/01/67/606770167.db2.gz GBSIOJFAHZCMPZ-DLBZAZTESA-N 1 0 380.456 1.892 20 0 GDADRO C[N@H+](CCOCc1ccccc1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821603834 606774078 /nfs/dbraw/zinc/77/40/78/606774078.db2.gz QNDPROCTNBNPNY-SFHVURJKSA-N 1 0 383.452 1.755 20 0 GDADRO OCCCOC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000823722411 606776740 /nfs/dbraw/zinc/77/67/40/606776740.db2.gz PBWUGBWYCUHCBO-UHFFFAOYSA-N 1 0 383.399 1.832 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCOc1ccc(F)cc1 ZINC000820788233 606777995 /nfs/dbraw/zinc/77/79/95/606777995.db2.gz BETSXRRUONEURA-AWEZNQCLSA-N 1 0 398.446 1.775 20 0 GDADRO O=C(CC[N@@H+]1CC[C@H](Oc2cccnc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822963889 606814565 /nfs/dbraw/zinc/81/45/65/606814565.db2.gz AKCAKXSCZOFUOW-KRWDZBQOSA-N 1 0 379.424 1.744 20 0 GDADRO O[C@H](C[NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681986 606848428 /nfs/dbraw/zinc/84/84/28/606848428.db2.gz LVWMNEPLMAYPSK-WOJBJXKFSA-N 1 0 394.479 1.563 20 0 GDADRO O=C(NC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000823150858 606851247 /nfs/dbraw/zinc/85/12/47/606851247.db2.gz UXLLGACQKKFBGF-IBGZPJMESA-N 1 0 392.463 1.795 20 0 GDADRO Cc1ccc(N2CCC[C@@H]([N@H+](C)C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC000822241056 606859834 /nfs/dbraw/zinc/85/98/34/606859834.db2.gz JTHAUTKVTHGXTR-QZTJIDSGSA-N 1 0 394.483 1.599 20 0 GDADRO C[C@H](C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)CS(C)(=O)=O ZINC000820262111 606878844 /nfs/dbraw/zinc/87/88/44/606878844.db2.gz SDTJSHRLJOASIA-CQSZACIVSA-N 1 0 378.502 1.060 20 0 GDADRO CCN1CCN(C2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)C1=O ZINC000821266465 606895574 /nfs/dbraw/zinc/89/55/74/606895574.db2.gz DHOGGBOMZQGGET-UHFFFAOYSA-N 1 0 399.499 1.858 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820659645 606907202 /nfs/dbraw/zinc/90/72/02/606907202.db2.gz ZGEKEGOPGZKQQC-OCCSQVGLSA-N 1 0 381.444 1.385 20 0 GDADRO c1nnc(CC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)[nH]1 ZINC000823751707 606916176 /nfs/dbraw/zinc/91/61/76/606916176.db2.gz QOJJNEPNPDRKQM-UHFFFAOYSA-N 1 0 376.424 1.896 20 0 GDADRO CO[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1Cl ZINC000821676836 606922692 /nfs/dbraw/zinc/92/26/92/606922692.db2.gz INEXQRHPRDEWMN-IAQYHMDHSA-N 1 0 388.863 1.736 20 0 GDADRO O=C(CC[NH+]1CCC(N2CCCCC2=O)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964983 606934365 /nfs/dbraw/zinc/93/43/65/606934365.db2.gz VUJASKZEZBQDEP-UHFFFAOYSA-N 1 0 397.483 1.672 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820684891 606966033 /nfs/dbraw/zinc/96/60/33/606966033.db2.gz STRHKMGZHFWQQT-HZPDHXFCSA-N 1 0 387.507 1.996 20 0 GDADRO [NH2+]=C(COc1ccc(F)cc1)NOCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822889847 606983009 /nfs/dbraw/zinc/98/30/09/606983009.db2.gz GJCDJMVEPTXYDJ-UHFFFAOYSA-N 1 0 385.359 1.522 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000823802389 607008641 /nfs/dbraw/zinc/00/86/41/607008641.db2.gz LTCQUHIPEWBOLL-HNNXBMFYSA-N 1 0 377.408 1.834 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)Oc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625674 607071767 /nfs/dbraw/zinc/07/17/67/607071767.db2.gz UBCIWSMHSCVQTN-NVXWUHKLSA-N 1 0 384.484 1.967 20 0 GDADRO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000821962537 607149265 /nfs/dbraw/zinc/14/92/65/607149265.db2.gz RYYQATPEOHVYKU-CQSZACIVSA-N 1 0 398.496 1.818 20 0 GDADRO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000823706837 607152384 /nfs/dbraw/zinc/15/23/84/607152384.db2.gz PSECAHIOOLBMAF-ZWKOTPCHSA-N 1 0 396.499 1.372 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000820259617 607179856 /nfs/dbraw/zinc/17/98/56/607179856.db2.gz AJDZMCPRXWYXLB-NSHDSACASA-N 1 0 391.863 1.449 20 0 GDADRO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)[C@@H](C)C1 ZINC000820743803 607183806 /nfs/dbraw/zinc/18/38/06/607183806.db2.gz VWNMSKRMKOXIIM-HZMBPMFUSA-N 1 0 391.863 1.304 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000822217459 607194264 /nfs/dbraw/zinc/19/42/64/607194264.db2.gz FHRBHVHENARCBX-IRXDYDNUSA-N 1 0 385.472 1.674 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000822928325 607223902 /nfs/dbraw/zinc/22/39/02/607223902.db2.gz GZYMWNYHWSAIQO-BLGFXRMMSA-N 1 0 396.495 1.983 20 0 GDADRO Cc1cc(C)nc(N2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)n1 ZINC000822199172 607236829 /nfs/dbraw/zinc/23/68/29/607236829.db2.gz YXEIMVDYHMIYCD-UHFFFAOYSA-N 1 0 389.467 1.848 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=S)NCC[NH+](C)C)cc1-c1nn[nH]n1 ZINC000825544591 607783731 /nfs/dbraw/zinc/78/37/31/607783731.db2.gz DWBBTVLPFRKHTK-UHFFFAOYSA-N 1 0 378.462 1.283 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=S)NCCC[NH+](C)C)cc1-c1nn[nH]n1 ZINC000825545846 607784005 /nfs/dbraw/zinc/78/40/05/607784005.db2.gz YBZXYEUVPUGNLL-UHFFFAOYSA-N 1 0 392.489 1.673 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC000530377178 649971399 /nfs/dbraw/zinc/97/13/99/649971399.db2.gz DQDAJVYQRNMVFT-CYBMUJFWSA-N 1 0 376.450 1.247 20 0 GDADRO CC(=O)OC1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000824005405 607800367 /nfs/dbraw/zinc/80/03/67/607800367.db2.gz QOPOBIIHKRWXSA-UHFFFAOYSA-N 1 0 392.847 1.876 20 0 GDADRO O=S(=O)(CCN1CCC[C@@H]1C[NH+]1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484595 607828436 /nfs/dbraw/zinc/82/84/36/607828436.db2.gz IVKZSVNSMIPRRF-MRXNPFEDSA-N 1 0 390.513 1.201 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825412302 607829118 /nfs/dbraw/zinc/82/91/18/607829118.db2.gz NXAKBNMOMILTJY-OAHLLOKOSA-N 1 0 392.529 1.304 20 0 GDADRO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)[C@H]2C1 ZINC000826146116 607858079 /nfs/dbraw/zinc/85/80/79/607858079.db2.gz QOYFISUNOQZCDI-XOKHGSTOSA-N 1 0 386.456 1.464 20 0 GDADRO O=C1[C@@H]([N@@H+]2CC[C@H](C3CCOCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476273 607859393 /nfs/dbraw/zinc/85/93/93/607859393.db2.gz DVPYTZQLFKIAIC-WMZOPIPTSA-N 1 0 382.468 1.721 20 0 GDADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)C1CCOCC1 ZINC000824040240 607888429 /nfs/dbraw/zinc/88/84/29/607888429.db2.gz NMMGLBYAGNTMRS-HNNXBMFYSA-N 1 0 386.500 1.820 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000826022371 607907174 /nfs/dbraw/zinc/90/71/74/607907174.db2.gz KVVOFAYWZHAQMF-CQSZACIVSA-N 1 0 376.486 1.219 20 0 GDADRO COc1ccc(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1-c1nn[nH]n1 ZINC000826198071 607912122 /nfs/dbraw/zinc/91/21/22/607912122.db2.gz LCNSVAXAGMMZPW-MRXNPFEDSA-N 1 0 399.499 1.749 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCCNc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC000826023191 607928311 /nfs/dbraw/zinc/92/83/11/607928311.db2.gz YQJFXXPCIHNYMZ-OAHLLOKOSA-N 1 0 399.503 1.047 20 0 GDADRO C[C@@H](CO)[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000824440699 607957053 /nfs/dbraw/zinc/95/70/53/607957053.db2.gz IPHZGPWYMZMWCN-NSHDSACASA-N 1 0 378.502 1.838 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3nc(C)ccc3c2)c1-c1nn[nH]n1 ZINC000826083398 608020060 /nfs/dbraw/zinc/02/00/60/608020060.db2.gz KREVWHAZBFEQMF-UHFFFAOYSA-N 1 0 391.439 1.851 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000826073334 608020379 /nfs/dbraw/zinc/02/03/79/608020379.db2.gz OGPYKWKLSQTIGH-LLVKDONJSA-N 1 0 386.435 1.698 20 0 GDADRO CCSc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)cn1 ZINC000825674373 608020745 /nfs/dbraw/zinc/02/07/45/608020745.db2.gz KQMPNPSVVPJDBU-UHFFFAOYSA-N 1 0 387.473 1.501 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2OCC(C)C)c1-c1nn[nH]n1 ZINC000826084306 608020822 /nfs/dbraw/zinc/02/08/22/608020822.db2.gz YLQJRVZXNHCVJV-UHFFFAOYSA-N 1 0 399.459 1.424 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OCC2CC2)c1-c1nn[nH]n1 ZINC000826084282 608021483 /nfs/dbraw/zinc/02/14/83/608021483.db2.gz XRWMGGGYCNJSHU-UHFFFAOYSA-N 1 0 396.455 1.783 20 0 GDADRO Cn1ccnc1[C@H]1CC[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000826363873 608079657 /nfs/dbraw/zinc/07/96/57/608079657.db2.gz DVHSFCMVBODHCB-AWEZNQCLSA-N 1 0 377.412 1.640 20 0 GDADRO O=C1CN(C[N@@H+]2CC[C@H](C3CC3)C2)C(=O)N1Cc1ccccc1-c1nn[nH]n1 ZINC000826481301 608110599 /nfs/dbraw/zinc/11/05/99/608110599.db2.gz OXGHDHVGZSRRGV-AWEZNQCLSA-N 1 0 381.440 1.320 20 0 GDADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000825919331 608192704 /nfs/dbraw/zinc/19/27/04/608192704.db2.gz ZLYZTWMMMIDFLZ-UHFFFAOYSA-N 1 0 380.456 1.969 20 0 GDADRO C[NH+](C)CCOc1cc(NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)ccn1 ZINC000825870459 608209676 /nfs/dbraw/zinc/20/96/76/608209676.db2.gz NBCOAMYOVRDKNU-UHFFFAOYSA-N 1 0 389.366 1.733 20 0 GDADRO Cc1nscc1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826340205 608213927 /nfs/dbraw/zinc/21/39/27/608213927.db2.gz MSBNFAMZHKAUJU-UHFFFAOYSA-N 1 0 383.481 1.980 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826060921 608238685 /nfs/dbraw/zinc/23/86/85/608238685.db2.gz WRLOVOWRHROIGZ-IUPBHXKESA-N 1 0 391.863 1.351 20 0 GDADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cnnn2)c1 ZINC000824598246 608280469 /nfs/dbraw/zinc/28/04/69/608280469.db2.gz CWJFVBXNCFSWEQ-ZDUSSCGKSA-N 1 0 377.412 1.572 20 0 GDADRO c1c2c(nc(N3CC[NH+](CC4CCOCC4)CC3)c1-c1nn[nH]n1)CCCC2 ZINC000826511701 608290112 /nfs/dbraw/zinc/29/01/12/608290112.db2.gz BDBFOQTVUFNDOW-UHFFFAOYSA-N 1 0 383.500 1.689 20 0 GDADRO CCC[C@H]1CN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000825253160 608314105 /nfs/dbraw/zinc/31/41/05/608314105.db2.gz MFCWANVAOLQUFU-INIZCTEOSA-N 1 0 388.472 1.205 20 0 GDADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000823975315 608318137 /nfs/dbraw/zinc/31/81/37/608318137.db2.gz WVAQZBNJNICGIF-INIZCTEOSA-N 1 0 394.483 1.661 20 0 GDADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000825860272 608342751 /nfs/dbraw/zinc/34/27/51/608342751.db2.gz NUKPSAJHPHLBHD-UHFFFAOYSA-N 1 0 396.492 1.748 20 0 GDADRO CCC[C@H]1CN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000825253537 608374803 /nfs/dbraw/zinc/37/48/03/608374803.db2.gz NTMZVBBJKCNJRI-KRWDZBQOSA-N 1 0 387.488 1.238 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000824564800 608425335 /nfs/dbraw/zinc/42/53/35/608425335.db2.gz VZMQHUVRVFRWIZ-ZDUSSCGKSA-N 1 0 394.435 1.605 20 0 GDADRO c1ccc([C@@H](CN2CCOCC2)[NH2+]CCOc2ccccc2-c2nn[nH]n2)cc1 ZINC000826520426 608429855 /nfs/dbraw/zinc/42/98/55/608429855.db2.gz IVJIOGDVFBPGMF-LJQANCHMSA-N 1 0 394.479 1.909 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000826389510 608436418 /nfs/dbraw/zinc/43/64/18/608436418.db2.gz 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387.933 1.950 20 0 GDADRO Cc1nc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000547274071 650493255 /nfs/dbraw/zinc/49/32/55/650493255.db2.gz JKNCRBJKLFCKCI-INIZCTEOSA-N 1 0 384.267 1.679 20 0 GDADRO CCc1ncc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000547304731 650494448 /nfs/dbraw/zinc/49/44/48/650494448.db2.gz SLSLHAMMFUDRQB-OAHLLOKOSA-N 1 0 381.523 1.751 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000547427759 650497497 /nfs/dbraw/zinc/49/74/97/650497497.db2.gz BMFGWBDVPCHPEH-ZFWWWQNUSA-N 1 0 387.933 1.996 20 0 GDADRO Cc1ccc(C[NH2+]C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)s1 ZINC000547664688 650511302 /nfs/dbraw/zinc/51/13/02/650511302.db2.gz AHQNVHSDJWQARN-UHFFFAOYSA-N 1 0 380.491 1.990 20 0 GDADRO CC[NH+](CC)CCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000549450606 650577372 /nfs/dbraw/zinc/57/73/72/650577372.db2.gz VIVJEANAMKQKKQ-UHFFFAOYSA-N 1 0 394.900 1.398 20 0 GDADRO C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)NCC[NH+]1CCCCC1 ZINC000549725201 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C[C@H](NC(=O)c1csc(I)c1)C(=O)NCC[NH+](C)C ZINC000552309269 650623310 /nfs/dbraw/zinc/62/33/10/650623310.db2.gz CEQMYINFKLTTND-QMMMGPOBSA-N 1 0 395.266 1.149 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CSc1nnnn1CC(F)(F)F)c1ccsc1 ZINC000552526714 650628638 /nfs/dbraw/zinc/62/86/38/650628638.db2.gz LQMAXMBKLKEPDT-JTQLQIEISA-N 1 0 394.448 1.808 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000552428765 650626362 /nfs/dbraw/zinc/62/63/62/650626362.db2.gz SRDXNBSDZUBYIC-SMDDNHRTSA-N 1 0 398.301 1.673 20 0 GDADRO COC[C@@](C)([NH3+])CNc1ncnc(CC(C)C)c1I ZINC000553098528 650638279 /nfs/dbraw/zinc/63/82/79/650638279.db2.gz LEPOMLWXOHFZQJ-ZDUSSCGKSA-N 1 0 378.258 2.055 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000555230090 650687590 /nfs/dbraw/zinc/68/75/90/650687590.db2.gz UUIGSNPGOAGITR-CQSZACIVSA-N 1 0 382.873 1.415 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000555093773 650685468 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CN(C(=O)[C@]12CCC(=O)N1CCS2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000556705217 650709537 /nfs/dbraw/zinc/70/95/37/650709537.db2.gz SPJQLDASTXOVGW-OAHLLOKOSA-N 1 0 379.448 1.927 20 0 GDADRO C[C@@H](NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)C(=O)NCC[NH+](C)C ZINC000556904255 650714481 /nfs/dbraw/zinc/71/44/81/650714481.db2.gz HYFVFOGMCNYEQJ-SNVBAGLBSA-N 1 0 386.283 1.366 20 0 GDADRO CN1CCN(C(=O)NCCCc2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000557194184 650720507 /nfs/dbraw/zinc/72/05/07/650720507.db2.gz ZFXWJNZNCXEYDI-CQSZACIVSA-N 1 0 387.297 1.805 20 0 GDADRO CN1CCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)[C@H](C[NH3+])C1 ZINC000563616367 650737111 /nfs/dbraw/zinc/73/71/11/650737111.db2.gz XAXRCFSBUWWGDX-OCCSQVGLSA-N 1 0 382.917 1.094 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000563749390 650739121 /nfs/dbraw/zinc/73/91/21/650739121.db2.gz XBRAKLMEYBMUPV-UHFFFAOYSA-N 1 0 381.464 1.953 20 0 GDADRO O=C(NCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000563945241 650744139 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O=C(NC[C@@H]1C[NH2+]CCO1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000564426985 650757779 /nfs/dbraw/zinc/75/77/79/650757779.db2.gz VGEXDWLVQHYUKZ-NSHDSACASA-N 1 0 398.286 2.078 20 0 GDADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCCn1cc(Br)cn1 ZINC000564937316 650773668 /nfs/dbraw/zinc/77/36/68/650773668.db2.gz KMKHIRHEDALMMZ-OAHLLOKOSA-N 1 0 378.274 1.913 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000564980011 650775039 /nfs/dbraw/zinc/77/50/39/650775039.db2.gz OPNNOEKWGMACOU-GARJFASQSA-N 1 0 388.281 1.877 20 0 GDADRO CC[NH+](CC)CCN(C(=O)Cn1cnnn1)c1ccc(Br)cn1 ZINC000565046270 650777978 /nfs/dbraw/zinc/77/79/78/650777978.db2.gz FMXRWSITOLVJTF-UHFFFAOYSA-N 1 0 382.266 1.206 20 0 GDADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N(CCC(F)(F)F)C[C@H](O)CO ZINC000565189529 650783564 /nfs/dbraw/zinc/78/35/64/650783564.db2.gz QHQJFUUORMWJSB-KGLIPLIRSA-N 1 0 384.464 1.338 20 0 GDADRO CC(C)OCC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000565300545 650791023 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386.539 1.395 20 0 GDADRO O=C(CNC(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000566610740 650859101 /nfs/dbraw/zinc/85/91/01/650859101.db2.gz VSUOMLUEEKKTOK-OAHLLOKOSA-N 1 0 382.917 1.648 20 0 GDADRO C[S@@](=O)Cc1cc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)ccc1Cl ZINC000566732428 650863192 /nfs/dbraw/zinc/86/31/92/650863192.db2.gz OPAGQZQMBVWZMI-YMXBGEKHSA-N 1 0 381.889 1.987 20 0 GDADRO O=C1CCC(=O)N1CCC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000566850439 650869782 /nfs/dbraw/zinc/86/97/82/650869782.db2.gz AJRSWCSGKDDBPW-ZDUSSCGKSA-N 1 0 385.258 1.318 20 0 GDADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)[NH+]1CCCC1 ZINC000567032868 650880417 /nfs/dbraw/zinc/88/04/17/650880417.db2.gz BMMJWXCYURABIE-NSHDSACASA-N 1 0 394.324 1.872 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000567336435 650900114 /nfs/dbraw/zinc/90/01/14/650900114.db2.gz MLYKKIKCOFJQJK-LBPRGKRZSA-N 1 0 379.404 1.240 20 0 GDADRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 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GDADRO [NH3+][C@H](CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C1CC1 ZINC000137524685 644770220 /nfs/dbraw/zinc/77/02/20/644770220.db2.gz WWJASYWIQZZJFU-MRXNPFEDSA-N 1 0 385.917 1.982 20 0 GDADRO C[C@H](C(=O)NC1CC1)N1CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000152715778 644790289 /nfs/dbraw/zinc/79/02/89/644790289.db2.gz MUBYCEODNRFIHU-CXAGYDPISA-N 1 0 396.329 1.767 20 0 GDADRO Cc1cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cnc1Cl ZINC000153509313 644795751 /nfs/dbraw/zinc/79/57/51/644795751.db2.gz OWNGLCRYLKKWTH-AWEZNQCLSA-N 1 0 390.937 1.414 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CC1=O ZINC000153862321 644800136 /nfs/dbraw/zinc/80/01/36/644800136.db2.gz URWQQVAOSUNMRU-ABAIWWIYSA-N 1 0 388.295 1.553 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(Cn2ncc(Br)c2C2CC2)CC1 ZINC000160476724 644848263 /nfs/dbraw/zinc/84/82/63/644848263.db2.gz OERGFRGAAJSBKA-UHFFFAOYSA-N 1 0 396.333 1.721 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)c1OC ZINC000568390700 650956278 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CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000178908363 644928115 /nfs/dbraw/zinc/92/81/15/644928115.db2.gz LSKULUCVDJGWQT-JTQLQIEISA-N 1 0 391.287 1.595 20 0 GDADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000178935570 644928929 /nfs/dbraw/zinc/92/89/29/644928929.db2.gz YIWGQYQKZDWJSX-SECBINFHSA-N 1 0 395.275 1.591 20 0 GDADRO NC(=O)C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CCOCC1 ZINC000181938574 644958826 /nfs/dbraw/zinc/95/88/26/644958826.db2.gz ZNZPWGFSDUCCRW-CQSZACIVSA-N 1 0 376.425 1.443 20 0 GDADRO [NH3+]CC12CCC(CC1)CN2C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000568643967 650965381 /nfs/dbraw/zinc/96/53/81/650965381.db2.gz WECCXIBVVKJKOS-UHFFFAOYSA-N 1 0 380.286 1.909 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000183136646 644967249 /nfs/dbraw/zinc/96/72/49/644967249.db2.gz AFFAYRCQGODPDL-JTQLQIEISA-N 1 0 391.287 1.595 20 0 GDADRO CSC1(CNC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC[NH+](C)CC1 ZINC000568689020 650968491 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394.269 1.548 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccsc3Br)C[C@@H]21 ZINC000331630042 645519056 /nfs/dbraw/zinc/51/90/56/645519056.db2.gz PNDSNOTUTWQNIS-SDDRHHMPSA-N 1 0 386.315 1.713 20 0 GDADRO [NH3+][C@H]1CCC[C@H](CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000570043772 651023821 /nfs/dbraw/zinc/02/38/21/651023821.db2.gz YPNQAIUQIYZMGE-RYUDHWBXSA-N 1 0 375.441 1.267 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCCN([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000365281737 645582988 /nfs/dbraw/zinc/58/29/88/645582988.db2.gz WIHDUFWLZACFKH-RBSFLKMASA-N 1 0 385.555 1.814 20 0 GDADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000368187975 645611046 /nfs/dbraw/zinc/61/10/46/645611046.db2.gz YCFRAJOFRQKBAS-HNNXBMFYSA-N 1 0 396.285 1.980 20 0 GDADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]C2CCS(=O)(=O)CC2)CC1 ZINC000368245255 645613801 /nfs/dbraw/zinc/61/38/01/645613801.db2.gz YCKBADUTADEQJB-UHFFFAOYSA-N 1 0 386.539 1.254 20 0 GDADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)S(C)(=O)=O 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KKSDWKLXBWQFRJ-LRDDRELGSA-N 1 0 385.917 1.852 20 0 GDADRO [NH3+]CCCCC(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000570396032 651039107 /nfs/dbraw/zinc/03/91/07/651039107.db2.gz UZYRBSOPXUWUGK-LBPRGKRZSA-N 1 0 392.237 1.276 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCSC3)CC2)cc1 ZINC000371423106 645743025 /nfs/dbraw/zinc/74/30/25/645743025.db2.gz VXNAVKBFFIXYJF-INIZCTEOSA-N 1 0 383.539 1.893 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000570451762 651040452 /nfs/dbraw/zinc/04/04/52/651040452.db2.gz VCZBFIPOLWYLRE-YNEHKIRRSA-N 1 0 397.317 1.386 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000570507476 651043069 /nfs/dbraw/zinc/04/30/69/651043069.db2.gz GZZHGMCMFRLJHO-STQMWFEESA-N 1 0 394.313 1.920 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)NCc3csc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000570563543 651044580 /nfs/dbraw/zinc/04/45/80/651044580.db2.gz DLECEKPMZVCERM-NWDGAFQWSA-N 1 0 384.303 1.880 20 0 GDADRO O=C(COc1ccccc1Br)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372367181 645808930 /nfs/dbraw/zinc/80/89/30/645808930.db2.gz PQSSAUMKCYKQTR-HUUCEWRRSA-N 1 0 383.286 1.886 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC/C=C/c3ccc(Br)cc3)CCN2C1=O ZINC000570652671 651049317 /nfs/dbraw/zinc/04/93/17/651049317.db2.gz VDEAPQONWAYUGF-RIVGAVQESA-N 1 0 393.285 1.416 20 0 GDADRO O=C(NCCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1cccc(Br)c1 ZINC000570665684 651049901 /nfs/dbraw/zinc/04/99/01/651049901.db2.gz LCOSBLNGFGTKTR-ZIAGYGMSSA-N 1 0 395.301 1.430 20 0 GDADRO O=C(NCCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000570665682 651049951 /nfs/dbraw/zinc/04/99/51/651049951.db2.gz LCOSBLNGFGTKTR-KGLIPLIRSA-N 1 0 395.301 1.430 20 0 GDADRO COC(C)(C)CS(=O)(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000377866260 645849040 /nfs/dbraw/zinc/84/90/40/645849040.db2.gz WXIACSRIGWIOIT-IYBDPMFKSA-N 1 0 376.563 1.953 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC ZINC000415419500 645893123 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[NH3+][C@H](CNC(=O)C(=O)NCCCc1ccc(Br)cc1F)C1CC1 ZINC000419173835 645913158 /nfs/dbraw/zinc/91/31/58/645913158.db2.gz MEYGMGYIUCMIGP-CQSZACIVSA-N 1 0 386.265 1.491 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1Br ZINC000419434725 645917264 /nfs/dbraw/zinc/91/72/64/645917264.db2.gz BLOAEQPXSHYUCQ-UHFFFAOYSA-N 1 0 384.274 1.271 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(OC)c(Br)c1 ZINC000419435735 645917322 /nfs/dbraw/zinc/91/73/22/645917322.db2.gz CPNUDZRVVAFWLU-LBPRGKRZSA-N 1 0 384.274 1.284 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419459072 645918302 /nfs/dbraw/zinc/91/83/02/645918302.db2.gz FFKIAEDFRSCSPU-IUODEOHRSA-N 1 0 394.313 1.711 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)[C@@H](C)C[NH2+]1 ZINC000419461712 645918609 /nfs/dbraw/zinc/91/86/09/645918609.db2.gz LRSXGPXFFWBPIU-OLZOCXBDSA-N 1 0 394.313 1.806 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCc1cc(Cl)ccc1Br ZINC000419489659 645920179 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1.970 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419765361 645930689 /nfs/dbraw/zinc/93/06/89/645930689.db2.gz XATZACSOIBMREV-VXGBXAGGSA-N 1 0 385.295 1.557 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000419765415 645930760 /nfs/dbraw/zinc/93/07/60/645930760.db2.gz XHGRUQMLUOXABL-NWDGAFQWSA-N 1 0 385.295 1.509 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419772654 645931668 /nfs/dbraw/zinc/93/16/68/645931668.db2.gz GXOHDYDFDARONZ-SUNKGSAMSA-N 1 0 398.301 1.749 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000419873879 645933172 /nfs/dbraw/zinc/93/31/72/645933172.db2.gz VHPBZWMFTOHIRF-HNNXBMFYSA-N 1 0 388.295 1.558 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420055303 645933749 /nfs/dbraw/zinc/93/37/49/645933749.db2.gz LJCLPCURZFRTLS-UHFFFAOYSA-N 1 0 399.289 1.056 20 0 GDADRO COCCN(Cc1cc(Br)cs1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420061660 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1 0 386.279 1.762 20 0 GDADRO C[C@@H]1CN(CC(=O)N(C)CCOc2ccc(Br)cc2)[C@H](C)C[NH2+]1 ZINC000420411971 645942800 /nfs/dbraw/zinc/94/28/00/645942800.db2.gz YXNRQNQRSQEKKF-ZIAGYGMSSA-N 1 0 384.318 1.969 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)sc1Cl ZINC000420472625 645943261 /nfs/dbraw/zinc/94/32/61/645943261.db2.gz CASBRXQPKFAELG-NSHDSACASA-N 1 0 375.907 1.786 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000420741029 645961079 /nfs/dbraw/zinc/96/10/79/645961079.db2.gz HNFLSJIJHOVYLX-UHFFFAOYSA-N 1 0 389.543 1.088 20 0 GDADRO CNC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000420970821 645976478 /nfs/dbraw/zinc/97/64/78/645976478.db2.gz HDSPHBWVDBNXSL-JSGCOSHPSA-N 1 0 382.302 1.864 20 0 GDADRO CC(C)[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H](C)c1ccsc1 ZINC000421016358 645979068 /nfs/dbraw/zinc/97/90/68/645979068.db2.gz UVPXTMRSOLPPFJ-AWEZNQCLSA-N 1 0 375.560 1.917 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCc3c2cccc3Br)C1 ZINC000421183353 645989371 /nfs/dbraw/zinc/98/93/71/645989371.db2.gz AEYKMYMQTFOLNM-LBPRGKRZSA-N 1 0 396.285 1.175 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000421295708 646001500 /nfs/dbraw/zinc/00/15/00/646001500.db2.gz IPMHVRZVDXVRCG-NSHDSACASA-N 1 0 387.889 1.235 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000421508494 646011798 /nfs/dbraw/zinc/01/17/98/646011798.db2.gz FGTVYPCPAGMMLR-CQSZACIVSA-N 1 0 396.329 1.956 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000916453206 660193491 /nfs/dbraw/zinc/19/34/91/660193491.db2.gz KWPTVJOFPVSUKS-HNNXBMFYSA-N 1 0 375.535 1.311 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422119332 646042396 /nfs/dbraw/zinc/04/23/96/646042396.db2.gz SCAABHUUPOGPJF-CYBMUJFWSA-N 1 0 385.306 1.299 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000422517977 646074235 /nfs/dbraw/zinc/07/42/35/646074235.db2.gz NCSVCQIHXRQTGD-CQSZACIVSA-N 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646105011 /nfs/dbraw/zinc/10/50/11/646105011.db2.gz PIBJBXPCWBJZAL-LBPRGKRZSA-N 1 0 380.286 1.981 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000422998023 646106925 /nfs/dbraw/zinc/10/69/25/646106925.db2.gz PFSGHQFSKPLZLF-TZMCWYRMSA-N 1 0 382.302 1.993 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000423001790 646107503 /nfs/dbraw/zinc/10/75/03/646107503.db2.gz ILFBQBLVBXNCSJ-STQMWFEESA-N 1 0 398.301 1.482 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000423053754 646110315 /nfs/dbraw/zinc/11/03/15/646110315.db2.gz SUXLKNGQTFICBP-KWQFWETISA-N 1 0 387.230 1.288 20 0 GDADRO COC[C@@]1(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)CC[NH2+]C1 ZINC000423129724 646115694 /nfs/dbraw/zinc/11/56/94/646115694.db2.gz XTKLKTRGYLBEQM-MRXNPFEDSA-N 1 0 384.274 1.438 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CCO1 ZINC000423172915 646117208 /nfs/dbraw/zinc/11/72/08/646117208.db2.gz VYWKEIRRPRWUCR-CABCVRRESA-N 1 0 396.285 1.299 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000423176338 646117990 /nfs/dbraw/zinc/11/79/90/646117990.db2.gz GVBNRYSDSWWWKH-ZDUSSCGKSA-N 1 0 388.295 1.512 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423236958 646120610 /nfs/dbraw/zinc/12/06/10/646120610.db2.gz HQYDAZNGKMFYCS-GOSISDBHSA-N 1 0 394.313 1.805 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423240771 646121348 /nfs/dbraw/zinc/12/13/48/646121348.db2.gz XIQONPVXWZJUIB-UHFFFAOYSA-N 1 0 386.265 1.744 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C1 ZINC000423241887 646121814 /nfs/dbraw/zinc/12/18/14/646121814.db2.gz LSABZXUDMDSXQD-HNNXBMFYSA-N 1 0 382.302 1.660 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000916660109 660198031 /nfs/dbraw/zinc/19/80/31/660198031.db2.gz CYOHSBOKUDVDAS-GXTWGEPZSA-N 1 0 385.917 1.580 20 0 GDADRO C[C@H](NC[C@H]1C[NH2+]CCN1C)c1ccc(F)c(I)c1 ZINC000423528462 646128179 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CN(CCNC(=O)NCC[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccs1 ZINC000458572350 647443610 /nfs/dbraw/zinc/44/36/10/647443610.db2.gz LCIFLNUDTZEISR-CQSZACIVSA-N 1 0 388.559 1.400 20 0 GDADRO Cc1nn2cc(S(=O)(=O)NCc3cc(N(C)C)cc[nH+]3)cnc2c1Cl ZINC000921026457 660280216 /nfs/dbraw/zinc/28/02/16/660280216.db2.gz YRIIJMLVKJBEOL-UHFFFAOYSA-N 1 0 380.861 1.631 20 0 GDADRO Cn1cc(I)c(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000459093945 647456833 /nfs/dbraw/zinc/45/68/33/647456833.db2.gz HFIXRTQYXLAIPJ-SNVBAGLBSA-N 1 0 391.257 1.260 20 0 GDADRO OC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1O ZINC000459686036 647463937 /nfs/dbraw/zinc/46/39/37/647463937.db2.gz GXUKSASZAQTCOD-NDMJEZRESA-N 1 0 380.666 1.127 20 0 GDADRO O[C@@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)Cn1ccnn1 ZINC000459703354 647465092 /nfs/dbraw/zinc/46/50/92/647465092.db2.gz SIOPYLXTWXPJOR-INIZCTEOSA-N 1 0 394.317 1.656 20 0 GDADRO CCCS(=O)(=O)N1CCC(NC(=O)CSCC[NH+](CC)CC)CC1 ZINC000461876263 647502403 /nfs/dbraw/zinc/50/24/03/647502403.db2.gz LTZZABWDQNGXBA-UHFFFAOYSA-N 1 0 379.592 1.382 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000461901774 647503303 /nfs/dbraw/zinc/50/33/03/647503303.db2.gz OWYCOAOIEGYDKY-MRXNPFEDSA-N 1 0 389.543 1.075 20 0 GDADRO CC(C)(CNc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)C[NH+]1CCCC1 ZINC000461942739 647504111 /nfs/dbraw/zinc/50/41/11/647504111.db2.gz UOEBFMRDZSELIX-UHFFFAOYSA-N 1 0 389.543 1.271 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cs1 ZINC000462543429 647530516 /nfs/dbraw/zinc/53/05/16/647530516.db2.gz JZRBDQZAXNQZNX-AWEZNQCLSA-N 1 0 382.507 1.986 20 0 GDADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000462882494 647546515 /nfs/dbraw/zinc/54/65/15/647546515.db2.gz TWTBTDRIHMEXFH-RRFJBIMHSA-N 1 0 383.539 1.406 20 0 GDADRO COCCS(=O)(=O)c1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000463249026 647554966 /nfs/dbraw/zinc/55/49/66/647554966.db2.gz XBLJWTGNZUFODN-UHFFFAOYSA-N 1 0 376.469 1.926 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(Br)c1 ZINC000467085467 647631727 /nfs/dbraw/zinc/63/17/27/647631727.db2.gz ODCIWQDMTMVPMZ-BONVTDFDSA-N 1 0 396.285 1.995 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1Br ZINC000467240836 647638793 /nfs/dbraw/zinc/63/87/93/647638793.db2.gz GQZIFTRLPHCWEZ-UHFFFAOYSA-N 1 0 397.317 1.660 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000467248781 647639940 /nfs/dbraw/zinc/63/99/40/647639940.db2.gz MSDQDJWUNDTTOV-UHFFFAOYSA-N 1 0 399.333 1.906 20 0 GDADRO Cc1cc(S(=O)(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000467490691 647644950 /nfs/dbraw/zinc/64/49/50/647644950.db2.gz DAQASKLDGUHHFI-CQSZACIVSA-N 1 0 392.518 1.264 20 0 GDADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)N1CCC(C(=O)OC)CC1)CC(C)C ZINC000469129822 647698674 /nfs/dbraw/zinc/69/86/74/647698674.db2.gz DGRXXNDTTDKFMV-MRXNPFEDSA-N 1 0 377.551 1.462 20 0 GDADRO CCc1n[nH]c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1Br ZINC000469221713 647699852 /nfs/dbraw/zinc/69/98/52/647699852.db2.gz NRFYAULXRJNHLV-JTQLQIEISA-N 1 0 386.294 1.052 20 0 GDADRO O=C(c1cc[nH]c(=O)c1Br)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000469408705 647709917 /nfs/dbraw/zinc/70/99/17/647709917.db2.gz VWQXMWWZQWONKI-GFCCVEGCSA-N 1 0 384.274 1.734 20 0 GDADRO O=C(c1cc[nH]c(=O)c1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000469429557 647710876 /nfs/dbraw/zinc/71/08/76/647710876.db2.gz FMMXEUYAYDMUHK-UHFFFAOYSA-N 1 0 384.274 1.734 20 0 GDADRO COc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c(Br)c1O ZINC000470008571 647719614 /nfs/dbraw/zinc/71/96/14/647719614.db2.gz JAAMPRZKQVYTMD-GFCCVEGCSA-N 1 0 386.290 1.450 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC000470165082 647721261 /nfs/dbraw/zinc/72/12/61/647721261.db2.gz DGXMESKAJBLDAD-ZDUSSCGKSA-N 1 0 388.306 1.830 20 0 GDADRO CCN(C(=O)CNC(=O)C[NH3+])[C@@H]1CCSc2ccc(Br)cc21 ZINC000470452293 647726714 /nfs/dbraw/zinc/72/67/14/647726714.db2.gz OAZMTAPEPYTAHT-GFCCVEGCSA-N 1 0 386.315 1.909 20 0 GDADRO Cc1c(S(=O)(=O)NCCOCC[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000471629230 647749513 /nfs/dbraw/zinc/74/95/13/647749513.db2.gz SMYWQVDRXMJSHH-UHFFFAOYSA-N 1 0 386.905 1.691 20 0 GDADRO C[NH+](C)CCOCCNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000471635469 647749779 /nfs/dbraw/zinc/74/97/79/647749779.db2.gz KCSINGPMTMADTG-UHFFFAOYSA-N 1 0 390.315 1.798 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)NCCOCC[NH+](C)C)nc12 ZINC000471656868 647750562 /nfs/dbraw/zinc/75/05/62/647750562.db2.gz VALRJADYIZFNIC-UHFFFAOYSA-N 1 0 398.305 1.783 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C[NH+](C)C ZINC000921634827 660317259 /nfs/dbraw/zinc/31/72/59/660317259.db2.gz KHTCTBNZSWFXNI-LBPRGKRZSA-N 1 0 389.905 1.470 20 0 GDADRO CCOC(=O)c1cc(F)cc(S(=O)(=O)NC[C@H](C[NH+](C)C)OCC)c1 ZINC000921640326 660318353 /nfs/dbraw/zinc/31/83/53/660318353.db2.gz FBDIGFBVFBUTPJ-CQSZACIVSA-N 1 0 376.450 1.247 20 0 GDADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000479761285 647835587 /nfs/dbraw/zinc/83/55/87/647835587.db2.gz AKCHXADYEUQJCA-CQSZACIVSA-N 1 0 389.543 1.138 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000479956368 647839078 /nfs/dbraw/zinc/83/90/78/647839078.db2.gz YNVZWISNLDVDTM-RISCZKNCSA-N 1 0 398.301 1.845 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CCCN2CCCS2(=O)=O)C1 ZINC000921691717 660323333 /nfs/dbraw/zinc/32/33/33/660323333.db2.gz FZBLFPJBFCVWOF-HUUCEWRRSA-N 1 0 375.535 1.695 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)C1 ZINC000480751232 647854663 /nfs/dbraw/zinc/85/46/63/647854663.db2.gz BNXJXRXEFWXYQE-AWEZNQCLSA-N 1 0 389.543 1.008 20 0 GDADRO OCC[NH+](CCO)CCOc1c(Br)cccc1Br ZINC000482695463 647898379 /nfs/dbraw/zinc/89/83/79/647898379.db2.gz XPTLKQXSAXCQCU-UHFFFAOYSA-N 1 0 383.080 1.877 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000484089534 647911045 /nfs/dbraw/zinc/91/10/45/647911045.db2.gz QMCVPILOXMJFPF-AVGNSLFASA-N 1 0 380.286 1.998 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000485772592 647928748 /nfs/dbraw/zinc/92/87/48/647928748.db2.gz DMOUZHNZZXKQFS-LLVKDONJSA-N 1 0 384.271 1.746 20 0 GDADRO C[C@H](C[N@H+](C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1)CS(C)(=O)=O ZINC000485830173 647930123 /nfs/dbraw/zinc/93/01/23/647930123.db2.gz FLDSTZXIMSYLDG-HUUCEWRRSA-N 1 0 388.555 1.900 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1C(F)(F)F ZINC000490032287 647984058 /nfs/dbraw/zinc/98/40/58/647984058.db2.gz KKAOWVTVYUPIFP-JTQLQIEISA-N 1 0 382.404 1.968 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000494049044 648003307 /nfs/dbraw/zinc/00/33/07/648003307.db2.gz MSFBPCMRHHUFOJ-JSGCOSHPSA-N 1 0 379.507 1.788 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000495154241 648010310 /nfs/dbraw/zinc/01/03/10/648010310.db2.gz GBYVJVPMEGNWCW-UHFFFAOYSA-N 1 0 390.296 1.555 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C(C)(C)c1ccc(Br)cc1 ZINC000495681697 648015044 /nfs/dbraw/zinc/01/50/44/648015044.db2.gz CIUPCRHJZBISRY-UHFFFAOYSA-N 1 0 382.302 1.617 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000496410327 648018794 /nfs/dbraw/zinc/01/87/94/648018794.db2.gz HEJQGBBSXICNBX-INIZCTEOSA-N 1 0 387.933 1.183 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000497357202 648027144 /nfs/dbraw/zinc/02/71/44/648027144.db2.gz FQOKNNGPWXLZTR-UHFFFAOYSA-N 1 0 399.822 1.411 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC2 ZINC000497507583 648031211 /nfs/dbraw/zinc/03/12/11/648031211.db2.gz KHMQEOZMYUWRCF-AWEZNQCLSA-N 1 0 389.315 1.404 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(C)(C)C ZINC000497552900 648031982 /nfs/dbraw/zinc/03/19/82/648031982.db2.gz ICVGXZBLEPIBCE-ILXRZTDVSA-N 1 0 376.567 1.512 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000498204888 648050591 /nfs/dbraw/zinc/05/05/91/648050591.db2.gz MAIWSEQLOQSQNU-LLVKDONJSA-N 1 0 381.832 1.155 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000498440535 648058273 /nfs/dbraw/zinc/05/82/73/648058273.db2.gz AASKYLNZLPTVEP-NSHDSACASA-N 1 0 382.258 1.749 20 0 GDADRO C[NH+](C)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1F ZINC000499106582 648075684 /nfs/dbraw/zinc/07/56/84/648075684.db2.gz MCTSDXVRLDFRDH-ZDUSSCGKSA-N 1 0 396.481 1.094 20 0 GDADRO CN(CCC[NH+]1CCCC1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000499935595 648095879 /nfs/dbraw/zinc/09/58/79/648095879.db2.gz AXDUXYPWSFAOID-UHFFFAOYSA-N 1 0 388.921 1.344 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000502857225 648175567 /nfs/dbraw/zinc/17/55/67/648175567.db2.gz RHECJEICAPHVOV-ZIAGYGMSSA-N 1 0 389.315 1.727 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000503516125 648189486 /nfs/dbraw/zinc/18/94/86/648189486.db2.gz JVZHFRZQWVCCHI-ZWKOPEQDSA-N 1 0 377.413 1.411 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000507625313 648252138 /nfs/dbraw/zinc/25/21/38/648252138.db2.gz NYWQIYLJGLDXJD-UWVGGRQHSA-N 1 0 389.315 1.983 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000508898004 648262277 /nfs/dbraw/zinc/26/22/77/648262277.db2.gz ZWNRUNSDNSHPKO-UHFFFAOYSA-N 1 0 377.894 1.328 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000509723270 648297858 /nfs/dbraw/zinc/29/78/58/648297858.db2.gz DQVWAYJIODUFRN-CYBMUJFWSA-N 1 0 385.486 1.876 20 0 GDADRO OCC[N@H+](CCN1CCOCC1)Cc1cc2c(c(Br)c1)OCO2 ZINC000510205380 648318928 /nfs/dbraw/zinc/31/89/28/648318928.db2.gz CTFDPASDSSLVJM-UHFFFAOYSA-N 1 0 387.274 1.304 20 0 GDADRO CC(C)c1nnc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000510760966 648341018 /nfs/dbraw/zinc/34/10/18/648341018.db2.gz DJOVKRBBUUFWBB-QWRGUYRKSA-N 1 0 375.520 1.050 20 0 GDADRO CC(C)c1nnc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000510760964 648341214 /nfs/dbraw/zinc/34/12/14/648341214.db2.gz DJOVKRBBUUFWBB-GHMZBOCLSA-N 1 0 375.520 1.050 20 0 GDADRO C[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)o1)C1=CC[N@H+](C)CC1 ZINC000510787329 648342472 /nfs/dbraw/zinc/34/24/72/648342472.db2.gz KKJKMWBJROBCOL-NSHDSACASA-N 1 0 384.274 1.881 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCOC[C@H]1CC(F)F ZINC000511035922 648351553 /nfs/dbraw/zinc/35/15/53/648351553.db2.gz URZWJWVKTQCQNN-CYBMUJFWSA-N 1 0 380.461 1.106 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000511403428 648375282 /nfs/dbraw/zinc/37/52/82/648375282.db2.gz AGTBYMOFYQWELM-UHFFFAOYSA-N 1 0 394.900 1.397 20 0 GDADRO Cn1c(=O)oc2cc(C[NH2+]C[C@H](O)CS(=O)(=O)c3cccs3)ccc21 ZINC000511710793 648385017 /nfs/dbraw/zinc/38/50/17/648385017.db2.gz XOKFCCRGHYSGLT-LBPRGKRZSA-N 1 0 382.463 1.117 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNCc2ncc(I)s2)CC1 ZINC000512032283 648395161 /nfs/dbraw/zinc/39/51/61/648395161.db2.gz UBNZWPXACNJZQA-NSHDSACASA-N 1 0 395.310 1.930 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000512258106 648400363 /nfs/dbraw/zinc/40/03/63/648400363.db2.gz CARPTFXHGACTAR-OLZOCXBDSA-N 1 0 382.404 1.198 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000512857326 648415836 /nfs/dbraw/zinc/41/58/36/648415836.db2.gz QYSOGASDOZGWOU-DZGCQCFKSA-N 1 0 388.559 1.177 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000513567528 648435109 /nfs/dbraw/zinc/43/51/09/648435109.db2.gz GJMBORHSCHKSIK-INMHGKMJSA-N 1 0 388.555 1.689 20 0 GDADRO C[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H](CO)c1cccc(Br)c1 ZINC000514142205 648450080 /nfs/dbraw/zinc/45/00/80/648450080.db2.gz PDWBAZSWYANYRP-SWLSCSKDSA-N 1 0 391.331 1.696 20 0 GDADRO CSCC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1nnc2ccccn21 ZINC000514242543 648451606 /nfs/dbraw/zinc/45/16/06/648451606.db2.gz SVPLOMNNCRDHTL-KGLIPLIRSA-N 1 0 383.543 1.395 20 0 GDADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000514248486 648452007 /nfs/dbraw/zinc/45/20/07/648452007.db2.gz RDJKUVBKGPZZLQ-ZJUUUORDSA-N 1 0 391.877 1.103 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000514752746 648464205 /nfs/dbraw/zinc/46/42/05/648464205.db2.gz WACUAEXCNXZVJM-UHFFFAOYSA-N 1 0 377.894 1.927 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000514781879 648465966 /nfs/dbraw/zinc/46/59/66/648465966.db2.gz XHPKLTPWNBEUPP-LBPRGKRZSA-N 1 0 395.305 1.248 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000515054135 648477825 /nfs/dbraw/zinc/47/78/25/648477825.db2.gz FWHYBFKISWPHBD-RULNRJAQSA-N 1 0 394.269 1.548 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000515063314 648478677 /nfs/dbraw/zinc/47/86/77/648478677.db2.gz RVZQWLOROYIHHN-HUUCEWRRSA-N 1 0 386.327 1.897 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccn(-c2cccc(Br)c2)n1 ZINC000515290841 648488420 /nfs/dbraw/zinc/48/84/20/648488420.db2.gz VFYDWFXKZBOGDF-AWEZNQCLSA-N 1 0 379.258 1.743 20 0 GDADRO C[C@@H](NC(=O)C1(c2cncc(Br)c2)CC1)C(=O)NCC[NH+](C)C ZINC000515310572 648489187 /nfs/dbraw/zinc/48/91/87/648489187.db2.gz WDVKIMVBMKEKEN-LLVKDONJSA-N 1 0 383.290 1.058 20 0 GDADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000515403053 648494577 /nfs/dbraw/zinc/49/45/77/648494577.db2.gz ZJYLUMCOQZOBRR-NSHDSACASA-N 1 0 377.272 1.833 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000515435010 648496311 /nfs/dbraw/zinc/49/63/11/648496311.db2.gz TUEUVJKQBQJTJH-RYUDHWBXSA-N 1 0 397.273 1.624 20 0 GDADRO COc1cc(OC)c(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1Br ZINC000516018469 648509982 /nfs/dbraw/zinc/50/99/82/648509982.db2.gz YMRBQMWRRBOHMW-JTQLQIEISA-N 1 0 387.278 1.573 20 0 GDADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000516056800 648511079 /nfs/dbraw/zinc/51/10/79/648511079.db2.gz BSKOZTOVBXUHAT-OCCSQVGLSA-N 1 0 382.302 1.912 20 0 GDADRO Cc1cc(N2CCC[C@H]([NH2+]CCC(=O)NC(N)=O)C2=O)ccc1Br ZINC000516052136 648511119 /nfs/dbraw/zinc/51/11/19/648511119.db2.gz XCTUMMYECUQJJN-ZDUSSCGKSA-N 1 0 397.273 1.428 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1OC ZINC000516288688 648520517 /nfs/dbraw/zinc/52/05/17/648520517.db2.gz SMYSNHWGSZWVKL-MNOVXSKESA-N 1 0 389.905 1.456 20 0 GDADRO C[C@@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc(Br)cc1F ZINC000516584990 648527693 /nfs/dbraw/zinc/52/76/93/648527693.db2.gz HQKCYAMIEAENPT-UDZFHETQSA-N 1 0 399.264 1.603 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(Cc3cnn(-c4ccc(Br)cc4)c3)CCN2C1=O ZINC000516664663 648532048 /nfs/dbraw/zinc/53/20/48/648532048.db2.gz PETSKRSRQWATDT-CVEARBPZSA-N 1 0 390.285 1.379 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)C1CC1 ZINC000516749436 648533983 /nfs/dbraw/zinc/53/39/83/648533983.db2.gz NNWPGTVELMYVAT-KGLIPLIRSA-N 1 0 381.274 1.369 20 0 GDADRO C[C@H](CCC[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000516769049 648535048 /nfs/dbraw/zinc/53/50/48/648535048.db2.gz NSUDVOPPIFTTPF-CQSZACIVSA-N 1 0 389.543 1.267 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000516992483 648549312 /nfs/dbraw/zinc/54/93/12/648549312.db2.gz HVKCYYTXXUTXTG-GFCCVEGCSA-N 1 0 394.310 1.949 20 0 GDADRO CN(C(=O)NC[C@H]1C[NH2+]CCN1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000517340389 648564741 /nfs/dbraw/zinc/56/47/41/648564741.db2.gz FRLVGAQOOLDJOB-XFBWCDHKSA-N 1 0 387.311 1.497 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000517356144 648565214 /nfs/dbraw/zinc/56/52/14/648565214.db2.gz CJCXBVNZFSOEOO-BIMULSAOSA-N 1 0 386.315 1.665 20 0 GDADRO O=C(CCOC1C[NH2+]C1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000517376641 648566208 /nfs/dbraw/zinc/56/62/08/648566208.db2.gz DVUAOFNWBUICEB-UHFFFAOYSA-N 1 0 398.301 1.280 20 0 GDADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000517566538 648569262 /nfs/dbraw/zinc/56/92/62/648569262.db2.gz UWEASBJRMUWZQS-SECBINFHSA-N 1 0 398.312 1.476 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000517900802 648580931 /nfs/dbraw/zinc/58/09/31/648580931.db2.gz LPYLHPZCHOFENA-OAHLLOKOSA-N 1 0 395.301 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[NH3+]C1CCC(OCC(=O)NCCNC(=O)c2cccc(Br)c2)CC1 ZINC000573798939 651495049 /nfs/dbraw/zinc/49/50/49/651495049.db2.gz RLJGXCNXZQRHHR-UHFFFAOYSA-N 1 0 398.301 1.582 20 0 GDADRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000573855749 651499964 /nfs/dbraw/zinc/49/99/64/651499964.db2.gz UXNNIXHILCQMOS-UHFFFAOYSA-N 1 0 382.404 1.816 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(CCC(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574292339 651529962 /nfs/dbraw/zinc/52/99/62/651529962.db2.gz LPRHWRAZZOWNGQ-KGLIPLIRSA-N 1 0 381.274 1.022 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000574294716 651530568 /nfs/dbraw/zinc/53/05/68/651530568.db2.gz UMNVWJIHCUTUEF-VXGBXAGGSA-N 1 0 398.305 1.882 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1OC ZINC000574399482 651539060 /nfs/dbraw/zinc/53/90/60/651539060.db2.gz APBIBPKBVBUIML-LLVKDONJSA-N 1 0 390.889 1.885 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cccc(Br)c1F ZINC000574431517 651542302 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CC[NH2+]CCCNC(=O)C(=O)N1Cc2cc(Br)ccc2C[C@H]1C ZINC000574788157 651568625 /nfs/dbraw/zinc/56/86/25/651568625.db2.gz RRRFLJQXPOLISV-GFCCVEGCSA-N 1 0 382.302 1.838 20 0 GDADRO Cc1nc(NCC2([S@](C)=O)CCC2)cc(NCC2([S@](C)=O)CCC2)[nH+]1 ZINC000574830486 651572751 /nfs/dbraw/zinc/57/27/51/651572751.db2.gz JGZDSSMHFUFQLF-JWQCQUIFSA-N 1 0 384.571 2.211 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COCc2ccccc2Cl)s1 ZINC000575377436 651594418 /nfs/dbraw/zinc/59/44/18/651594418.db2.gz QNMHTYUHMQDTLW-LBPRGKRZSA-N 1 0 390.914 1.716 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)CCC[NH3+])c1 ZINC000575867783 651610156 /nfs/dbraw/zinc/61/01/56/651610156.db2.gz AFTBQPFCFNJIAG-CYBMUJFWSA-N 1 0 377.532 1.123 20 0 GDADRO O=C(CC[NH2+]C[C@H]1CS(=O)(=O)CCO1)Nc1cccc(C(F)(F)F)c1 ZINC000576101561 651629852 /nfs/dbraw/zinc/62/98/52/651629852.db2.gz YUZOUGQRBZJWPI-ZDUSSCGKSA-N 1 0 380.388 1.437 20 0 GDADRO OC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C1CCOCC1 ZINC000576435430 651663854 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395.301 1.772 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)NCCNC(=O)c2ccc(Br)cn2)C[NH2+]1 ZINC000627210482 653068716 /nfs/dbraw/zinc/06/87/16/653068716.db2.gz QNFWGZOCWCQXSY-CMPLNLGQSA-N 1 0 384.278 1.014 20 0 GDADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627267090 653070572 /nfs/dbraw/zinc/07/05/72/653070572.db2.gz JTJKDHYTAGRLIQ-GHMZBOCLSA-N 1 0 395.257 1.312 20 0 GDADRO COc1c(Br)ccc(F)c1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269989 653071034 /nfs/dbraw/zinc/07/10/34/653071034.db2.gz AZPNDIJGJZNADZ-QWRGUYRKSA-N 1 0 387.249 1.878 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627292667 653071704 /nfs/dbraw/zinc/07/17/04/653071704.db2.gz ALDKOOXQEBMWNF-XUJVJEKNSA-N 1 0 382.302 1.753 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000627315449 653071871 /nfs/dbraw/zinc/07/18/71/653071871.db2.gz GHSGLKILDKHYFT-CYBMUJFWSA-N 1 0 387.267 1.022 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000627320053 653072136 /nfs/dbraw/zinc/07/21/36/653072136.db2.gz PCCPQCIKKXBLPU-CYBMUJFWSA-N 1 0 397.317 1.199 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627339398 653072806 /nfs/dbraw/zinc/07/28/06/653072806.db2.gz HDGJZLPZZYXORX-ZWNOBZJWSA-N 1 0 384.274 1.331 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000627342976 653072826 /nfs/dbraw/zinc/07/28/26/653072826.db2.gz UWOZXYRHZDNZFC-XXILOJSOSA-N 1 0 384.299 1.579 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000627361632 653073647 /nfs/dbraw/zinc/07/36/47/653073647.db2.gz TZGHKELYJZHGDQ-SMDDNHRTSA-N 1 0 380.286 1.464 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000627378009 653074141 /nfs/dbraw/zinc/07/41/41/653074141.db2.gz ZKLZZQVZOHKVGQ-RKDXNWHRSA-N 1 0 377.329 1.819 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000627378460 653074219 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GDADRO CN1CCOC[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000629600550 653176153 /nfs/dbraw/zinc/17/61/53/653176153.db2.gz ZFMMFVRPHKEXLZ-ZDUSSCGKSA-N 1 0 377.304 1.143 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000629605977 653177307 /nfs/dbraw/zinc/17/73/07/653177307.db2.gz BINXBPSCJHNAFI-CYBMUJFWSA-N 1 0 376.881 1.587 20 0 GDADRO Cc1ncc(CN(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629792485 653182622 /nfs/dbraw/zinc/18/26/22/653182622.db2.gz PVLYYNGCYRADOX-CMPLNLGQSA-N 1 0 378.420 1.396 20 0 GDADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000629821957 653184211 /nfs/dbraw/zinc/18/42/11/653184211.db2.gz NDAPVCMEBFLKDI-NFAWXSAZSA-N 1 0 394.313 1.961 20 0 GDADRO C[NH2+]C1(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CCC1 ZINC000629998539 653195331 /nfs/dbraw/zinc/19/53/31/653195331.db2.gz BHESKELATHJXIF-AWEZNQCLSA-N 1 0 385.555 1.716 20 0 GDADRO CO[C@H]1CN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)[C@](C)(C[NH3+])C1 ZINC000630358753 653204820 /nfs/dbraw/zinc/20/48/20/653204820.db2.gz BKMVFUAEECDRGO-ABAIWWIYSA-N 1 0 379.885 1.594 20 0 GDADRO CNS(=O)(=O)CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000631228770 653231663 /nfs/dbraw/zinc/23/16/63/653231663.db2.gz CDOJRGREUHQTFR-UHFFFAOYSA-N 1 0 393.303 1.639 20 0 GDADRO CC(C)[C@@H](CNC(=O)c1c(F)cncc1Br)N1CC[NH+](C)CC1 ZINC000631270886 653233181 /nfs/dbraw/zinc/23/31/81/653233181.db2.gz WDISJIIQGZYYAO-CQSZACIVSA-N 1 0 387.297 1.985 20 0 GDADRO C[C@H](CNC(=O)c1cc(Br)c2nccn2c1)N1CC[NH+](C)CC1 ZINC000631287290 653233607 /nfs/dbraw/zinc/23/36/07/653233607.db2.gz FKKGQWGEGLAUMW-GFCCVEGCSA-N 1 0 380.290 1.463 20 0 GDADRO O=S(=O)(CCN1CCC([NH2+]CCO)CC1)c1cc(Cl)ccc1Cl ZINC000631866781 653262185 /nfs/dbraw/zinc/26/21/85/653262185.db2.gz YTOGBIAPVYTASW-UHFFFAOYSA-N 1 0 381.325 1.813 20 0 GDADRO COc1ccc([C@H](C)NS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1Br ZINC000631909677 653267178 /nfs/dbraw/zinc/26/71/78/653267178.db2.gz LTFRLKADOCTPBD-CMPLNLGQSA-N 1 0 393.303 1.427 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631915218 653268938 /nfs/dbraw/zinc/26/89/38/653268938.db2.gz GLYWZIAASVUJJB-ZDUSSCGKSA-N 1 0 395.294 1.728 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1ccc(Br)cc1Cl ZINC000631915549 653269203 /nfs/dbraw/zinc/26/92/03/653269203.db2.gz MKNWATWDJBISQL-LLVKDONJSA-N 1 0 383.695 1.510 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000631932056 653274043 /nfs/dbraw/zinc/27/40/43/653274043.db2.gz LHDXOHVWGDGOMT-KCJUWKMLSA-N 1 0 388.291 1.219 20 0 GDADRO O=S(=O)(c1cscc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000631937809 653275058 /nfs/dbraw/zinc/27/50/58/653275058.db2.gz LXRMEAWALWXNEB-JTQLQIEISA-N 1 0 380.333 1.179 20 0 GDADRO O=C(c1cccc(Cl)c1)N1CCC[C@@H](S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000631970249 653281966 /nfs/dbraw/zinc/28/19/66/653281966.db2.gz NFPYKIUYQYSKET-HRCADAONSA-N 1 0 383.901 1.321 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1Br ZINC000631974712 653282992 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653396970 /nfs/dbraw/zinc/39/69/70/653396970.db2.gz JEQGWHXPABEFHS-GFCCVEGCSA-N 1 0 386.290 1.527 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000632942593 653416111 /nfs/dbraw/zinc/41/61/11/653416111.db2.gz KMLRDUWAPMXPPV-WDEREUQCSA-N 1 0 384.278 1.634 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000632953687 653416548 /nfs/dbraw/zinc/41/65/48/653416548.db2.gz TVVBGOYZSNNGGG-WCQYABFASA-N 1 0 397.321 1.549 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000632953463 653416560 /nfs/dbraw/zinc/41/65/60/653416560.db2.gz SFQITHJXSHBRQK-WDEREUQCSA-N 1 0 384.278 1.634 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000632953685 653416638 /nfs/dbraw/zinc/41/66/38/653416638.db2.gz TVVBGOYZSNNGGG-AAEUAGOBSA-N 1 0 397.321 1.549 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Br)c2nccn2c1 ZINC000632999227 653418452 /nfs/dbraw/zinc/41/84/52/653418452.db2.gz WSDFFHMRPXKADS-CYBMUJFWSA-N 1 0 381.274 1.673 20 0 GDADRO O=C(Nc1cc(F)c(Br)cc1Cl)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633021932 653420228 /nfs/dbraw/zinc/42/02/28/653420228.db2.gz CGRIEBHZHOJEDV-BQBZGAKWSA-N 1 0 376.613 1.753 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1Br ZINC000633030985 653421986 /nfs/dbraw/zinc/42/19/86/653421986.db2.gz BOFZQRWDZYYWEI-AOOOYVTPSA-N 1 0 398.257 1.368 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633078015 653426047 /nfs/dbraw/zinc/42/60/47/653426047.db2.gz DFRVGHIFMYPVQO-GASCZTMLSA-N 1 0 380.286 1.760 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2F)C1 ZINC000633104388 653427581 /nfs/dbraw/zinc/42/75/81/653427581.db2.gz APBJEGWCLQOPMV-NSHDSACASA-N 1 0 386.265 1.615 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000633103245 653427661 /nfs/dbraw/zinc/42/76/61/653427661.db2.gz PNIDZEVYDBUTFF-CYBMUJFWSA-N 1 0 386.265 1.886 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)COc1ccc(Br)cn1 ZINC000633195848 653431650 /nfs/dbraw/zinc/43/16/50/653431650.db2.gz LNPLZUNLRJVNAD-KBPBESRZSA-N 1 0 384.274 1.545 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)N[C@@](C)(CO)c2ccc(Br)cc2)cn1 ZINC000633604226 653457714 /nfs/dbraw/zinc/45/77/14/653457714.db2.gz XQFJKORNWIAINW-KRWDZBQOSA-N 1 0 395.301 1.845 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)COc1ccc(Br)cn1 ZINC000633613741 653458174 /nfs/dbraw/zinc/45/81/74/653458174.db2.gz DWXNYEGIYZENBJ-ZDUSSCGKSA-N 1 0 387.322 1.611 20 0 GDADRO C[C@@H]1CN(CCNC(=O)c2cc(Br)c3nccn3c2)[C@H](C)CO1 ZINC000633616703 653458289 /nfs/dbraw/zinc/45/82/89/653458289.db2.gz JKRVMOOZSQLUFI-VXGBXAGGSA-N 1 0 381.274 1.936 20 0 GDADRO Cn1cc(Br)c(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)n1 ZINC000634193053 653488093 /nfs/dbraw/zinc/48/80/93/653488093.db2.gz DLSVKHHRFPUUJN-UHFFFAOYSA-N 1 0 379.262 1.582 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000634725789 653497532 /nfs/dbraw/zinc/49/75/32/653497532.db2.gz DERKVLIBHJHEQS-QLFBSQMISA-N 1 0 389.539 1.800 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cscc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000635094827 653505997 /nfs/dbraw/zinc/50/59/97/653505997.db2.gz GFWYXFSFJFNZEM-SWLSCSKDSA-N 1 0 384.933 1.824 20 0 GDADRO C[C@@]1(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C[NH2+]CCO1 ZINC000637906488 653531798 /nfs/dbraw/zinc/53/17/98/653531798.db2.gz WDKPVSDOXSHIIK-KRWDZBQOSA-N 1 0 386.279 1.656 20 0 GDADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000637942872 653532669 /nfs/dbraw/zinc/53/26/69/653532669.db2.gz WBHDERXKQLHIBB-CZUORRHYSA-N 1 0 384.274 1.062 20 0 GDADRO C[C@@]1(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C[NH2+]CCO1 ZINC000637964526 653533362 /nfs/dbraw/zinc/53/33/62/653533362.db2.gz WEVUERVFZYXKLM-KRWDZBQOSA-N 1 0 396.285 1.112 20 0 GDADRO COc1cc(Br)c(CNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)cc1OC ZINC000637980660 653534097 /nfs/dbraw/zinc/53/40/97/653534097.db2.gz ZHDAOWMOXMUIDB-BDJLRTHQSA-N 1 0 387.274 1.850 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C[NH2+]CCO1 ZINC000638081669 653536164 /nfs/dbraw/zinc/53/61/64/653536164.db2.gz NSPWSXIOIVYGDR-DYVFJYSZSA-N 1 0 382.302 1.770 20 0 GDADRO CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000638545907 653539379 /nfs/dbraw/zinc/53/93/79/653539379.db2.gz AGKISVCOYZJZIO-WCQYABFASA-N 1 0 379.404 1.194 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000638559837 653539879 /nfs/dbraw/zinc/53/98/79/653539879.db2.gz HBGPTZGOMIUASD-AWEZNQCLSA-N 1 0 394.273 1.904 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000638559839 653539890 /nfs/dbraw/zinc/53/98/90/653539890.db2.gz HBGPTZGOMIUASD-CQSZACIVSA-N 1 0 394.273 1.904 20 0 GDADRO C[NH2+]CCOCCNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000638580970 653540566 /nfs/dbraw/zinc/54/05/66/653540566.db2.gz BUKKNDKHNDKYMS-UHFFFAOYSA-N 1 0 390.253 1.060 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000638582459 653540698 /nfs/dbraw/zinc/54/06/98/653540698.db2.gz ZVAACCOYZVQWGI-OAHLLOKOSA-N 1 0 388.295 1.950 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000638588020 653540878 /nfs/dbraw/zinc/54/08/78/653540878.db2.gz DOPMHLNILGOQDY-UHFFFAOYSA-N 1 0 381.274 1.943 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[NH2+]CCO1 ZINC000638595287 653541073 /nfs/dbraw/zinc/54/10/73/653541073.db2.gz GQLAMLMDCIXWCD-CJNGLKHVSA-N 1 0 382.258 1.049 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596351 653541342 /nfs/dbraw/zinc/54/13/42/653541342.db2.gz NXXKOWBHOHMMOK-GHMZBOCLSA-N 1 0 376.201 1.653 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)C2)s1 ZINC000638650684 653541685 /nfs/dbraw/zinc/54/16/85/653541685.db2.gz CCIGCTICGGQPRB-AEGPPILISA-N 1 0 385.555 1.714 20 0 GDADRO [NH3+]CCCOCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000638656876 653542155 /nfs/dbraw/zinc/54/21/55/653542155.db2.gz GFDDUGWXTXQBTA-GFCCVEGCSA-N 1 0 384.274 1.284 20 0 GDADRO [NH3+]CCCOCCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000638657172 653542172 /nfs/dbraw/zinc/54/21/72/653542172.db2.gz XBSPBSKWIGGEJN-UHFFFAOYSA-N 1 0 397.273 1.031 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000638774841 653543398 /nfs/dbraw/zinc/54/33/98/653543398.db2.gz VIKFQDICZHCKDN-SMDDNHRTSA-N 1 0 393.285 1.387 20 0 GDADRO CN(CC[NH+]1CCCC1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639170955 653547924 /nfs/dbraw/zinc/54/79/24/653547924.db2.gz MBTGNRSCFHAHLP-UHFFFAOYSA-N 1 0 376.320 1.624 20 0 GDADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCO1 ZINC000639241975 653548308 /nfs/dbraw/zinc/54/83/08/653548308.db2.gz KXEICHGRDLNLHX-OCCSQVGLSA-N 1 0 384.889 1.731 20 0 GDADRO CC[C@@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)C(=O)NCc1cccs1 ZINC000639286735 653549275 /nfs/dbraw/zinc/54/92/75/653549275.db2.gz YHPGNUHTNJKEQR-CQSZACIVSA-N 1 0 387.571 1.983 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000639760045 653552373 /nfs/dbraw/zinc/55/23/73/653552373.db2.gz AWQZBTYIDNNUHA-GDBMZVCRSA-N 1 0 388.281 1.503 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762952 653552724 /nfs/dbraw/zinc/55/27/24/653552724.db2.gz BALRKVQBTRGSGK-SFHVURJKSA-N 1 0 398.345 1.796 20 0 GDADRO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)C1=O ZINC000639771131 653553006 /nfs/dbraw/zinc/55/30/06/653553006.db2.gz AZSMGHANNZMIFO-GFCCVEGCSA-N 1 0 397.273 1.628 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639775404 653553512 /nfs/dbraw/zinc/55/35/12/653553512.db2.gz BBDAHZRGJFRKCJ-HUUCEWRRSA-N 1 0 388.306 1.236 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000640980613 653561553 /nfs/dbraw/zinc/56/15/53/653561553.db2.gz XBEGPOZWXQAIAY-LLVKDONJSA-N 1 0 398.330 1.913 20 0 GDADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc(CC[C@@H](O)C[NH3+])nn1 ZINC000640984747 653561778 /nfs/dbraw/zinc/56/17/78/653561778.db2.gz YAYTWVKHEKUMRT-OAHLLOKOSA-N 1 0 386.283 1.496 20 0 GDADRO [NH3+][C@@H](CO)c1cn(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nn1 ZINC000641003237 653562169 /nfs/dbraw/zinc/56/21/69/653562169.db2.gz PQUNUMXXFFCNAY-DZGCQCFKSA-N 1 0 384.267 1.941 20 0 GDADRO [NH3+]C[C@@H](O)CCc1cn(Cc2cc(Br)ccc2OC(F)F)nn1 ZINC000641010472 653562296 /nfs/dbraw/zinc/56/22/96/653562296.db2.gz XRKZFURVDZQQLE-LBPRGKRZSA-N 1 0 391.216 1.943 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(C[C@@H](O)COc2cc(Cl)ccc2Cl)nn1 ZINC000641199892 653562707 /nfs/dbraw/zinc/56/27/07/653562707.db2.gz DDFUEIUGUWXDHX-DGCLKSJQSA-N 1 0 375.256 1.541 20 0 GDADRO CC1(C)[C@H](CS(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1(F)F ZINC000641510683 653570601 /nfs/dbraw/zinc/57/06/01/653570601.db2.gz JNFIQZJSHXSJLR-ZDUSSCGKSA-N 1 0 381.489 1.189 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cncc(Br)c1 ZINC000641665195 653574903 /nfs/dbraw/zinc/57/49/03/653574903.db2.gz ROHXTSIJOHVVNL-INIZCTEOSA-N 1 0 397.317 1.371 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(Br)cn1 ZINC000641666612 653574926 /nfs/dbraw/zinc/57/49/26/653574926.db2.gz HBMMGDLDDKLNSG-HNNXBMFYSA-N 1 0 397.317 1.371 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000642015649 653576585 /nfs/dbraw/zinc/57/65/85/653576585.db2.gz DQDKCQHWLJXGGH-LBPRGKRZSA-N 1 0 393.285 1.987 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000642052600 653576718 /nfs/dbraw/zinc/57/67/18/653576718.db2.gz WGUMTRZELDJBSF-LLVKDONJSA-N 1 0 387.311 1.537 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642114835 653577135 /nfs/dbraw/zinc/57/71/35/653577135.db2.gz JPPPMMUVEPYDAN-RISCZKNCSA-N 1 0 384.249 1.415 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000642355255 653578183 /nfs/dbraw/zinc/57/81/83/653578183.db2.gz SBZFRPYVYAWBHZ-GUBZILKMSA-N 1 0 376.404 1.550 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)Oc1cccc(Br)c1 ZINC000642777855 653579220 /nfs/dbraw/zinc/57/92/20/653579220.db2.gz QMCZIMCJAPAMPH-GXTWGEPZSA-N 1 0 398.301 1.591 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000642904049 653579652 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GDADRO C[NH+]1CCC2(CC1)CN([C@@H](C(N)=O)c1cccc(Br)c1)CCO2 ZINC000646105806 653608827 /nfs/dbraw/zinc/60/88/27/653608827.db2.gz INGSVWJSFKLLFW-OAHLLOKOSA-N 1 0 382.302 1.772 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C[C@@H](O)COc1ccc(Br)cc1)CCO2 ZINC000646102924 653608831 /nfs/dbraw/zinc/60/88/31/653608831.db2.gz XVYXAJGDKNERGC-MRXNPFEDSA-N 1 0 399.329 1.985 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)CC2=O)ccc1Br ZINC000646209645 653609127 /nfs/dbraw/zinc/60/91/27/653609127.db2.gz OALRUMCWPIWKMQ-OLZOCXBDSA-N 1 0 398.301 1.149 20 0 GDADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000646221422 653609163 /nfs/dbraw/zinc/60/91/63/653609163.db2.gz GSZXOCJCFOYUDY-NEPJUHHUSA-N 1 0 388.295 1.685 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1Br ZINC000646391722 653610086 /nfs/dbraw/zinc/61/00/86/653610086.db2.gz MHQWXSSIEHLSPM-NSHDSACASA-N 1 0 383.695 1.481 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000646555086 653610725 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396.285 1.377 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)Cn3cnc4ccc(Br)cc4c3=O)[C@H]2C1 ZINC000646915854 653616677 /nfs/dbraw/zinc/61/66/77/653616677.db2.gz WNFDMNQLIXNTNV-ABAIWWIYSA-N 1 0 391.269 1.322 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000646966178 653618264 /nfs/dbraw/zinc/61/82/64/653618264.db2.gz KFLTYKBHWUPHIJ-UHFFFAOYSA-N 1 0 396.289 1.398 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000647064216 653619763 /nfs/dbraw/zinc/61/97/63/653619763.db2.gz IIFVHRMIASLWFV-SNVBAGLBSA-N 1 0 392.319 1.557 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647071339 653619948 /nfs/dbraw/zinc/61/99/48/653619948.db2.gz JSZKXJKNOHGWMX-RQJHMYQMSA-N 1 0 384.246 1.728 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000647095352 653620427 /nfs/dbraw/zinc/62/04/27/653620427.db2.gz NYYXZNPJHTZQJO-UHFFFAOYSA-N 1 0 379.258 1.561 20 0 GDADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000647186307 653622927 /nfs/dbraw/zinc/62/29/27/653622927.db2.gz JPGRNWLDPGFVOT-CQSZACIVSA-N 1 0 383.495 1.371 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO1 ZINC000647233682 653623790 /nfs/dbraw/zinc/62/37/90/653623790.db2.gz CEQKREAAKPKPCN-PELKAZGASA-N 1 0 383.695 1.839 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)CC[C@H]1[NH3+] ZINC000647269538 653625057 /nfs/dbraw/zinc/62/50/57/653625057.db2.gz VMOGVVZDHIVUCS-SMDDNHRTSA-N 1 0 393.506 1.335 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647307143 653625846 /nfs/dbraw/zinc/62/58/46/653625846.db2.gz SNPPYRFTKJEPAK-GJZGRUSLSA-N 1 0 386.539 1.490 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000647321418 653625966 /nfs/dbraw/zinc/62/59/66/653625966.db2.gz OQHCQANFEXRGCE-CQSZACIVSA-N 1 0 394.946 1.695 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1Cl ZINC000647325133 653626364 /nfs/dbraw/zinc/62/63/64/653626364.db2.gz XHQOBDFOJRNMEW-IUODEOHRSA-N 1 0 389.905 1.651 20 0 GDADRO OCCOC1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCOCC1 ZINC000647530399 653628320 /nfs/dbraw/zinc/62/83/20/653628320.db2.gz FRIZCXSOZQAVBB-CYBMUJFWSA-N 1 0 394.295 1.881 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000647679291 653632633 /nfs/dbraw/zinc/63/26/33/653632633.db2.gz WTGGFYUEFHLRNU-ZDUSSCGKSA-N 1 0 382.306 1.030 20 0 GDADRO CN(CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000647835240 653635649 /nfs/dbraw/zinc/63/56/49/653635649.db2.gz RURSTRIEFBUVGH-UHFFFAOYSA-N 1 0 376.835 1.717 20 0 GDADRO CN(CCN1CC[NH2+]CC1)CCS(=O)(=O)c1cccc(Br)c1 ZINC000647835746 653635704 /nfs/dbraw/zinc/63/57/04/653635704.db2.gz MEZOETCTVCSRRR-UHFFFAOYSA-N 1 0 390.347 1.060 20 0 GDADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000647833420 653635747 /nfs/dbraw/zinc/63/57/47/653635747.db2.gz NFWPDNKXZRHHFM-HZMBPMFUSA-N 1 0 394.269 1.596 20 0 GDADRO C[NH+]1CCC2(CCN(c3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)C2)CC1 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O=C(CNC(=O)C[N@H+]1CCCCC[C@@H]1CO)Nc1ccccc1Br ZINC000653783222 653922018 /nfs/dbraw/zinc/92/20/18/653922018.db2.gz MDOGTZLVXDZLJC-CYBMUJFWSA-N 1 0 398.301 1.741 20 0 GDADRO Cc1ccc(NC(=O)[C@H](C)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(Br)c1 ZINC000653826208 653923659 /nfs/dbraw/zinc/92/36/59/653923659.db2.gz WLUKLGNIBBCZBR-MELADBBJSA-N 1 0 382.302 1.835 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1nc2ncc(Br)cn2n1 ZINC000654307785 653933482 /nfs/dbraw/zinc/93/34/82/653933482.db2.gz KDBMRSZIAZAUFW-NEPJUHHUSA-N 1 0 379.262 1.634 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654519511 653939762 /nfs/dbraw/zinc/93/97/62/653939762.db2.gz FRYMKWJRZNNKGD-LSDHHAIUSA-N 1 0 388.295 1.970 20 0 GDADRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)NC(N)=O ZINC000654636269 653942363 /nfs/dbraw/zinc/94/23/63/653942363.db2.gz OUUGPBVNRZGIIN-LBPRGKRZSA-N 1 0 385.306 1.786 20 0 GDADRO COCCN(C[C@H](O)C(F)(F)F)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000655201527 653961835 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CCOc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1Br ZINC000655957228 653996074 /nfs/dbraw/zinc/99/60/74/653996074.db2.gz SGLMWZWRIBOIMZ-JTQLQIEISA-N 1 0 398.179 1.792 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ncc(Br)cn1 ZINC000655962363 653996764 /nfs/dbraw/zinc/99/67/64/653996764.db2.gz SGWNHLQBVSIMAS-IACUBPJLSA-N 1 0 398.305 1.541 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000656021814 654000027 /nfs/dbraw/zinc/00/00/27/654000027.db2.gz LDYCVFQOFCAKGJ-VIFPVBQESA-N 1 0 393.702 1.759 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000656311165 654013765 /nfs/dbraw/zinc/01/37/65/654013765.db2.gz KCSPDOGBPHVHAU-HNNXBMFYSA-N 1 0 394.313 1.974 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ncccc2Br)CC1 ZINC000656874040 654060723 /nfs/dbraw/zinc/06/07/23/654060723.db2.gz PFIPNNBEWJURQN-UHFFFAOYSA-N 1 0 391.335 1.150 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656905366 654069464 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COc1ncc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)c(C)c1Br ZINC000657693786 654156346 /nfs/dbraw/zinc/15/63/46/654156346.db2.gz ROPDAVANYAIVNX-JTQLQIEISA-N 1 0 399.289 1.558 20 0 GDADRO COc1ncc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)c(C)c1Br ZINC000657712508 654158188 /nfs/dbraw/zinc/15/81/88/654158188.db2.gz UAYMPURLWRJSIG-LLVKDONJSA-N 1 0 399.289 1.652 20 0 GDADRO Cc1cncc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)n1 ZINC000657713776 654158664 /nfs/dbraw/zinc/15/86/64/654158664.db2.gz XYYQTCKIDSNSGA-UHFFFAOYSA-N 1 0 385.287 1.527 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000658019806 654178435 /nfs/dbraw/zinc/17/84/35/654178435.db2.gz UVDFYJVROREQBH-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO Cn1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1=O ZINC000658260294 654182900 /nfs/dbraw/zinc/18/29/00/654182900.db2.gz AKAZZNVRQVQKKV-LLVKDONJSA-N 1 0 399.289 1.075 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N[C@@H](C[NH3+])C3CCCCC3)cc2C1 ZINC000658368420 654185849 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CCN(C(=O)C(=O)N(C)Cc1cccc(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000658807143 654206446 /nfs/dbraw/zinc/20/64/46/654206446.db2.gz MELFFNXALKUGJU-HNNXBMFYSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(Nc1cccc(Br)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658807487 654206485 /nfs/dbraw/zinc/20/64/85/654206485.db2.gz OPPLXWANJPBHFZ-HNNXBMFYSA-N 1 0 396.285 1.757 20 0 GDADRO O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658901533 654211117 /nfs/dbraw/zinc/21/11/17/654211117.db2.gz LNSXUTIUIQVEFW-GFCCVEGCSA-N 1 0 386.279 1.990 20 0 GDADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658902348 654211169 /nfs/dbraw/zinc/21/11/69/654211169.db2.gz UHLMJRYMNNCGOC-HNNXBMFYSA-N 1 0 396.285 1.445 20 0 GDADRO [NH3+]C1(C(=O)NCCNC(=O)c2ccc(Br)cn2)CC2(CCC2)C1 ZINC000659336920 654223049 /nfs/dbraw/zinc/22/30/49/654223049.db2.gz SJBKJWOZADFOJZ-UHFFFAOYSA-N 1 0 381.274 1.352 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2nc3ncc(Br)cn3n2)[C@@H]1CCC[NH3+] ZINC000659376303 654224685 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O=C(NCCNC(=O)N1CC[NH+]2CCC1CC2)c1ccc(Br)cn1 ZINC000661514035 654273885 /nfs/dbraw/zinc/27/38/85/654273885.db2.gz VSUARYKXXJLPFQ-UHFFFAOYSA-N 1 0 396.289 1.064 20 0 GDADRO Cc1nn(C)c(=O)c(-c2nc(CN(C)[C@@H](C[NH3+])C(F)(F)F)cs2)c1C ZINC000662330385 654292920 /nfs/dbraw/zinc/29/29/20/654292920.db2.gz ZKXYNYXDYKJAEZ-NSHDSACASA-N 1 0 375.420 1.842 20 0 GDADRO C[C@@H](CNC(=O)[C@@H](N)c1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000662480383 654295753 /nfs/dbraw/zinc/29/57/53/654295753.db2.gz RUYULOVDLAPMMQ-BBRMVZONSA-N 1 0 383.334 1.449 20 0 GDADRO O=C(NCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)c1ccc(Br)cn1 ZINC000662622835 654298423 /nfs/dbraw/zinc/29/84/23/654298423.db2.gz UTRVSQAKSXUIIV-OCCSQVGLSA-N 1 0 381.274 1.221 20 0 GDADRO O=C(CNS(=O)(=O)c1cccs1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662685908 654300091 /nfs/dbraw/zinc/30/00/91/654300091.db2.gz IKBKKFVACDETEM-CQSZACIVSA-N 1 0 381.479 1.326 20 0 GDADRO [NH3+]CCn1cc(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000662691786 654300196 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COc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])sc1S(N)(=O)=O ZINC000662892810 654317273 /nfs/dbraw/zinc/31/72/73/654317273.db2.gz ICTRUSBSOZUGHH-GHMZBOCLSA-N 1 0 375.516 1.384 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc2C1 ZINC000663308377 654332189 /nfs/dbraw/zinc/33/21/89/654332189.db2.gz ALIUEFGBTVQREP-LLVKDONJSA-N 1 0 385.433 1.163 20 0 GDADRO O=C(c1ncc(Br)cc1Br)N1CCOC2(C[NH2+]C2)C1 ZINC000663493518 654339115 /nfs/dbraw/zinc/33/91/15/654339115.db2.gz HIBCYMXASHUZHJ-UHFFFAOYSA-N 1 0 391.063 1.421 20 0 GDADRO Cn1ncc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(Br)c1=O ZINC000664238325 654370021 /nfs/dbraw/zinc/37/00/21/654370021.db2.gz GMZSPBBSLDGQTJ-AWEZNQCLSA-N 1 0 393.285 1.722 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)c1ncnc2cc(Br)sc21 ZINC000664354542 654376248 /nfs/dbraw/zinc/37/62/48/654376248.db2.gz AJPIVYSVCNGBEA-UHFFFAOYSA-N 1 0 386.319 1.910 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000664890145 654393101 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CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cc(Br)ccc2C)C1 ZINC000669312003 654502889 /nfs/dbraw/zinc/50/28/89/654502889.db2.gz DUSZKOIDEREJEQ-HNNXBMFYSA-N 1 0 382.302 1.974 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCC[NH2+]CC3)C2=O)ccc1Br ZINC000669561546 654506032 /nfs/dbraw/zinc/50/60/32/654506032.db2.gz ZXWWALSBDFWAIB-OAHLLOKOSA-N 1 0 395.301 1.868 20 0 GDADRO C[C@@H](CNC(=O)c1cccnc1I)N1CC[NH+](C)CC1 ZINC000770490218 654513618 /nfs/dbraw/zinc/51/36/18/654513618.db2.gz HFBVYGVCUQDRLP-NSHDSACASA-N 1 0 388.253 1.052 20 0 GDADRO C[C@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000669939042 654515404 /nfs/dbraw/zinc/51/54/04/654515404.db2.gz IJKJNIPMOUCJFN-BPUTZDHNSA-N 1 0 386.539 1.593 20 0 GDADRO O=C(NCc1sccc1Br)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671099431 654531398 /nfs/dbraw/zinc/53/13/98/654531398.db2.gz DQOCKQVFZSBGAU-QWRGUYRKSA-N 1 0 386.315 1.870 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000671350683 654533944 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GDADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000775156965 654656505 /nfs/dbraw/zinc/65/65/05/654656505.db2.gz BFGAPVAUHDYDBO-YPMHNXCESA-N 1 0 378.300 1.056 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000775186976 654660598 /nfs/dbraw/zinc/66/05/98/654660598.db2.gz YLXSKLZVSFPLOG-STQMWFEESA-N 1 0 380.316 1.256 20 0 GDADRO C[N@H+](C[C@H](O)CN1CCOCC1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000775614091 654670423 /nfs/dbraw/zinc/67/04/23/654670423.db2.gz XVEHHZVIQMREPG-BBRMVZONSA-N 1 0 391.281 1.247 20 0 GDADRO CC(C)n1ncc2cc(C[NH2+]CC3(O)CCS(=O)(=O)CC3)c(Cl)nc21 ZINC000741260304 654685223 /nfs/dbraw/zinc/68/52/23/654685223.db2.gz GWNDNHUNVQYSJX-UHFFFAOYSA-N 1 0 386.905 1.695 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCc1nnnn1C ZINC000678499208 654690385 /nfs/dbraw/zinc/69/03/85/654690385.db2.gz RVUIKJQLDKWOFC-UHFFFAOYSA-N 1 0 376.262 1.799 20 0 GDADRO CN(CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2)S(C)(=O)=O ZINC000678885442 654697075 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C[C@@H]([NH2+]CCOC1CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000777119967 654714057 /nfs/dbraw/zinc/71/40/57/654714057.db2.gz FPXAKSNRVJJGRH-CYBMUJFWSA-N 1 0 390.527 1.632 20 0 GDADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)c(Br)c1 ZINC000743344888 654715772 /nfs/dbraw/zinc/71/57/72/654715772.db2.gz XFKWNEQKERNARW-MNOVXSKESA-N 1 0 393.278 1.730 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000681157641 654723631 /nfs/dbraw/zinc/72/36/31/654723631.db2.gz LZZJSWPUUUSTRW-CYBMUJFWSA-N 1 0 375.922 1.653 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000681187485 654724052 /nfs/dbraw/zinc/72/40/52/654724052.db2.gz IQMFYNLYYPHQER-HNNXBMFYSA-N 1 0 380.286 1.779 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000681187486 654724088 /nfs/dbraw/zinc/72/40/88/654724088.db2.gz IQMFYNLYYPHQER-OAHLLOKOSA-N 1 0 380.286 1.779 20 0 GDADRO Cc1nccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1Br ZINC000682106935 654747945 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CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000711473423 654835123 /nfs/dbraw/zinc/83/51/23/654835123.db2.gz DKJDDGJVSGQTHE-GASCZTMLSA-N 1 0 375.535 1.551 20 0 GDADRO CSC1(C[NH2+]CC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 ZINC000721718468 654838989 /nfs/dbraw/zinc/83/89/89/654838989.db2.gz RQQRSNOWXZZNLL-CYBMUJFWSA-N 1 0 378.560 1.896 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cccn2c(I)cnc12 ZINC000750610237 654856981 /nfs/dbraw/zinc/85/69/81/654856981.db2.gz OYYBIERCGAWWFE-JTQLQIEISA-N 1 0 396.232 1.905 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000727077743 654865576 /nfs/dbraw/zinc/86/55/76/654865576.db2.gz DAMNJQYFWSOAOG-UHFFFAOYSA-N 1 0 384.575 1.651 20 0 GDADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=S)NCCNS(C)(=O)=O ZINC000727085274 654866747 /nfs/dbraw/zinc/86/67/47/654866747.db2.gz QILJGMQUFVMISO-UHFFFAOYSA-N 1 0 386.587 1.254 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2ccc(-n3cc(Br)cn3)nn2)CCC1 ZINC000783751587 654867894 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20 0 GDADRO Cn1cc(Br)c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1=O ZINC000830020271 654925777 /nfs/dbraw/zinc/92/57/77/654925777.db2.gz BKENWTQNXNDOLH-STQMWFEESA-N 1 0 386.315 1.457 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000752393639 654927097 /nfs/dbraw/zinc/92/70/97/654927097.db2.gz NWYMCAVVRIPTJE-LLVKDONJSA-N 1 0 382.262 1.896 20 0 GDADRO COCCCn1nccc1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000801726271 654932428 /nfs/dbraw/zinc/93/24/28/654932428.db2.gz PSFPGPFAQHOCOH-UHFFFAOYSA-N 1 0 384.424 1.323 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000752782867 654936064 /nfs/dbraw/zinc/93/60/64/654936064.db2.gz CSVRXTFLNXFGJQ-UHFFFAOYSA-N 1 0 385.486 1.739 20 0 GDADRO COCC[N@@H+]1CC[C@H](NCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000730817535 654937733 /nfs/dbraw/zinc/93/77/33/654937733.db2.gz QHXWGSSJVINTRO-KBPBESRZSA-N 1 0 390.937 1.015 20 0 GDADRO Cc1c(Br)cc(C(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)c(=O)n1C ZINC000802142416 654939262 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CN(Cc1csc(Br)c1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817934147 655362651 /nfs/dbraw/zinc/36/26/51/655362651.db2.gz BAMQDVKEIGFCFW-HNNXBMFYSA-N 1 0 386.315 1.824 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000817944792 655362752 /nfs/dbraw/zinc/36/27/52/655362752.db2.gz MFEMDZOHSRWHHF-AWEZNQCLSA-N 1 0 384.274 1.027 20 0 GDADRO C[NH+](C)CCCOC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000817978716 655363199 /nfs/dbraw/zinc/36/31/99/655363199.db2.gz DJIMEHYGKAGNQD-UHFFFAOYSA-N 1 0 389.905 1.631 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2ccccc2Br)[C@@H](C)C[NH2+]1 ZINC000817991325 655363760 /nfs/dbraw/zinc/36/37/60/655363760.db2.gz RDNYFDVWUILFJL-TYNCELHUSA-N 1 0 398.301 1.150 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000817995016 655364095 /nfs/dbraw/zinc/36/40/95/655364095.db2.gz SGIPZLDSEOGVDE-UGFHNGPFSA-N 1 0 398.301 1.137 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2cn(-c3ccccc3Br)nn2)CCCO1 ZINC000818012862 655364603 /nfs/dbraw/zinc/36/46/03/655364603.db2.gz UHHIDYODUFHSTA-NSHDSACASA-N 1 0 380.246 1.220 20 0 GDADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000818012688 655364665 /nfs/dbraw/zinc/36/46/65/655364665.db2.gz WYQZHXJUHDPWLQ-NSHDSACASA-N 1 0 381.226 1.582 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1)NS(=O)(=O)c1cccnc1Cl ZINC000818018107 655364707 /nfs/dbraw/zinc/36/47/07/655364707.db2.gz GMHBTWBZIDVYMK-WBMJQRKESA-N 1 0 386.905 1.146 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818017858 655364771 /nfs/dbraw/zinc/36/47/71/655364771.db2.gz QZEIEXKHOWHWQR-QGZVFWFLSA-N 1 0 380.286 1.924 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000842482307 655367404 /nfs/dbraw/zinc/36/74/04/655367404.db2.gz SKULWMULHOQFNN-ZJUUUORDSA-N 1 0 386.417 1.386 20 0 GDADRO O=S(=O)(/C=C/c1cccc(Br)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000842482751 655367455 /nfs/dbraw/zinc/36/74/55/655367455.db2.gz XORFOWMJGUHYQL-GPAKFWEMSA-N 1 0 375.288 1.718 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842484751 655367969 /nfs/dbraw/zinc/36/79/69/655367969.db2.gz RPLLDQFVODWXST-UWVGGRQHSA-N 1 0 386.417 1.399 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@@H]1C[NH3+] ZINC000842485754 655368128 /nfs/dbraw/zinc/36/81/28/655368128.db2.gz LXHITZTXYUONDY-BDAKNGLRSA-N 1 0 386.948 1.410 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000818165233 655369158 /nfs/dbraw/zinc/36/91/58/655369158.db2.gz DTIIKNPGDXHAQT-ZFWWWQNUSA-N 1 0 376.519 1.019 20 0 GDADRO C[C@H](Cc1nc(C2([NH3+])CCCC2)no1)NS(=O)(=O)c1cccnc1Cl ZINC000842589336 655369263 /nfs/dbraw/zinc/36/92/63/655369263.db2.gz JPYDNOFVUUWFSY-SNVBAGLBSA-N 1 0 385.877 1.756 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)s1 ZINC000842677815 655370806 /nfs/dbraw/zinc/37/08/06/655370806.db2.gz KFBKGBXBAVCFIL-SSDOTTSWSA-N 1 0 383.289 1.409 20 0 GDADRO C[C@@H](CC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)NC(=O)OC(C)(C)C ZINC000842676847 655370814 /nfs/dbraw/zinc/37/08/14/655370814.db2.gz NVFOUELHNHERAK-NSHDSACASA-N 1 0 375.466 1.866 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c(Br)cc1F ZINC000842690348 655371404 /nfs/dbraw/zinc/37/14/04/655371404.db2.gz TVKGHMCZICBMKH-QMMMGPOBSA-N 1 0 395.250 1.405 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccnn2-c2ccccn2)s1 ZINC000842691798 655371410 /nfs/dbraw/zinc/37/14/10/655371410.db2.gz DFZVNWXDLWBGJM-UHFFFAOYSA-N 1 0 377.495 1.705 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)[C@@H]1CCC[NH2+]C1 ZINC000842697558 655371681 /nfs/dbraw/zinc/37/16/81/655371681.db2.gz XOFSNXPNWPPBAD-WDEREUQCSA-N 1 0 380.919 1.410 20 0 GDADRO O=S(=O)(NC[C@H]1CCCC[NH2+]1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842697470 655371696 /nfs/dbraw/zinc/37/16/96/655371696.db2.gz PNZOIDKNRMIXEG-SNVBAGLBSA-N 1 0 386.417 1.401 20 0 GDADRO CC[NH2+]CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000842704371 655372230 /nfs/dbraw/zinc/37/22/30/655372230.db2.gz PJNYYJBPOQPKPB-UHFFFAOYSA-N 1 0 390.303 1.246 20 0 GDADRO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000842709488 655372680 /nfs/dbraw/zinc/37/26/80/655372680.db2.gz PURPZBLYNLKMCW-QWRGUYRKSA-N 1 0 375.466 1.864 20 0 GDADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842716596 655373169 /nfs/dbraw/zinc/37/31/69/655373169.db2.gz IXJBFXNAQXPJPZ-UHFFFAOYSA-N 1 0 388.433 1.776 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000842719835 655373383 /nfs/dbraw/zinc/37/33/83/655373383.db2.gz MMCKITOYTUPPKO-CBAPKCEASA-N 1 0 397.316 1.655 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)s1 ZINC000842721743 655373506 /nfs/dbraw/zinc/37/35/06/655373506.db2.gz JDIWRKHKLLAPHH-CQSZACIVSA-N 1 0 389.543 1.833 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)s1 ZINC000842721741 655373525 /nfs/dbraw/zinc/37/35/25/655373525.db2.gz JDIWRKHKLLAPHH-AWEZNQCLSA-N 1 0 389.543 1.833 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)[C@@H]1C[NH3+] ZINC000842723159 655373666 /nfs/dbraw/zinc/37/36/66/655373666.db2.gz ZFKSXANEDOXIFI-ZWNOBZJWSA-N 1 0 380.919 1.491 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000842726572 655373918 /nfs/dbraw/zinc/37/39/18/655373918.db2.gz JRUCHHXJLFRYLR-QWRGUYRKSA-N 1 0 382.454 1.431 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000842726720 655373972 /nfs/dbraw/zinc/37/39/72/655373972.db2.gz MRHLPRWNDVWCGL-WDEREUQCSA-N 1 0 379.404 1.935 20 0 GDADRO O=C(c1ccc(N2CCCS2(=O)=O)cc1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000818563493 655376399 /nfs/dbraw/zinc/37/63/99/655376399.db2.gz OGBSOOFDFODCKB-AWEZNQCLSA-N 1 0 383.901 1.846 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)/C=C/c1ccc(Br)o1 ZINC000818583868 655376598 /nfs/dbraw/zinc/37/65/98/655376598.db2.gz CXNILASAFRGMQP-HOSRBBHYSA-N 1 0 384.274 1.901 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)NC[C@@H](C)C[NH3+])c1 ZINC000842787362 655376857 /nfs/dbraw/zinc/37/68/57/655376857.db2.gz NICRNHCGDMHDRV-VIFPVBQESA-N 1 0 393.303 1.807 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000818593991 655376878 /nfs/dbraw/zinc/37/68/78/655376878.db2.gz YHQOEBBLZIIMCP-CQSZACIVSA-N 1 0 375.288 1.664 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000818594763 655376918 /nfs/dbraw/zinc/37/69/18/655376918.db2.gz WDQXNUFGCXBAFY-QGZVFWFLSA-N 1 0 385.917 1.935 20 0 GDADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cccc(I)c1)C2 ZINC000842795517 655377676 /nfs/dbraw/zinc/37/76/76/655377676.db2.gz RFQQBCUZVDWDQR-UHFFFAOYSA-N 1 0 392.262 1.839 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000842805127 655378361 /nfs/dbraw/zinc/37/83/61/655378361.db2.gz DDSNDGIJGKEPCS-BXKDBHETSA-N 1 0 391.287 1.594 20 0 GDADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccnc1Br ZINC000818781489 655379651 /nfs/dbraw/zinc/37/96/51/655379651.db2.gz JKRBFVVVMAVPFI-OAHLLOKOSA-N 1 0 390.281 1.993 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000842830147 655380127 /nfs/dbraw/zinc/38/01/27/655380127.db2.gz SRNLFTBIBMPNCB-UHFFFAOYSA-N 1 0 379.251 1.795 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000842834305 655380303 /nfs/dbraw/zinc/38/03/03/655380303.db2.gz QVOVMDBEWAOUNX-CABZTGNLSA-N 1 0 391.287 1.512 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)ccc1Br ZINC000842834323 655380321 /nfs/dbraw/zinc/38/03/21/655380321.db2.gz RGVAYYRQOOVSKS-RNCFNFMXSA-N 1 0 391.287 1.512 20 0 GDADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000842838558 655380549 /nfs/dbraw/zinc/38/05/49/655380549.db2.gz QEWROZHQQMKAER-LLVKDONJSA-N 1 0 379.404 1.937 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c(Br)o1 ZINC000842860721 655381361 /nfs/dbraw/zinc/38/13/61/655381361.db2.gz WRSZBEMOPRKOHU-VIFPVBQESA-N 1 0 395.275 1.721 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000818946740 655382017 /nfs/dbraw/zinc/38/20/17/655382017.db2.gz VFECRDMEOLMDNK-OAHLLOKOSA-N 1 0 391.331 1.886 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000818969875 655382307 /nfs/dbraw/zinc/38/23/07/655382307.db2.gz ARKDTSWRUZSIPS-CHWSQXEVSA-N 1 0 388.921 1.345 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842883328 655382490 /nfs/dbraw/zinc/38/24/90/655382490.db2.gz VXVURUXCXQDOEN-RQJHMYQMSA-N 1 0 381.683 1.764 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c1 ZINC000842883731 655382505 /nfs/dbraw/zinc/38/25/05/655382505.db2.gz XQJOLXVJOMXZGE-DTWKUNHWSA-N 1 0 379.276 1.640 20 0 GDADRO CCS(=O)(=O)CC[NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000819010135 655383114 /nfs/dbraw/zinc/38/31/14/655383114.db2.gz AOGQMSPTZHQANX-UHFFFAOYSA-N 1 0 378.878 1.710 20 0 GDADRO CCNS(=O)(=O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819043311 655383853 /nfs/dbraw/zinc/38/38/53/655383853.db2.gz RRPHIJFTPYGJLS-CYBMUJFWSA-N 1 0 383.283 1.325 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000842918574 655384041 /nfs/dbraw/zinc/38/40/41/655384041.db2.gz ULTVTBPMQBKYPG-IUCAKERBSA-N 1 0 379.276 1.640 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819065120 655384576 /nfs/dbraw/zinc/38/45/76/655384576.db2.gz KCIXABHUDOIKGB-UKRRQHHQSA-N 1 0 378.535 1.407 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000842928860 655384977 /nfs/dbraw/zinc/38/49/77/655384977.db2.gz MJYIJIJDTLVQAA-SLEUVZQESA-N 1 0 392.568 1.957 20 0 GDADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)c3ccccc3Br)C2=O)n(C)n1 ZINC000819120801 655386431 /nfs/dbraw/zinc/38/64/31/655386431.db2.gz RIPZYCRJLAXNNF-CABCVRRESA-N 1 0 393.285 1.920 20 0 GDADRO O=C(CC[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)Nc1cccnc1 ZINC000819146930 655386860 /nfs/dbraw/zinc/38/68/60/655386860.db2.gz SRHAGYKFUNSYKQ-UHFFFAOYSA-N 1 0 380.392 1.314 20 0 GDADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C1 ZINC000819139180 655386866 /nfs/dbraw/zinc/38/68/66/655386866.db2.gz LRARDIAADWWTRX-CSTKLKAISA-N 1 0 381.560 1.412 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1)C(F)(F)F ZINC000819145295 655386873 /nfs/dbraw/zinc/38/68/73/655386873.db2.gz BGJXCYSURPPQSX-CQSZACIVSA-N 1 0 384.395 1.633 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@H](O)CCc2ccccc2)CC1)C(F)(F)F ZINC000819150485 655386996 /nfs/dbraw/zinc/38/69/96/655386996.db2.gz SYYJQTBLBHKFRO-OAHLLOKOSA-N 1 0 380.432 1.884 20 0 GDADRO O=S(=O)(N1CCC([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1)C(F)(F)F ZINC000819151187 655387004 /nfs/dbraw/zinc/38/70/04/655387004.db2.gz ZHWQVLBZJZKYRJ-ZDUSSCGKSA-N 1 0 388.358 1.902 20 0 GDADRO C[C@](O)(C[NH2+]C[C@@H]1CC[C@@H](C(N)=O)O1)c1ccc(Br)cc1F ZINC000819156059 655387182 /nfs/dbraw/zinc/38/71/82/655387182.db2.gz PYLKVHYNEQDAPE-XEGUGMAKSA-N 1 0 375.238 1.418 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000819189939 655388050 /nfs/dbraw/zinc/38/80/50/655388050.db2.gz LVFXRUKKBLGQNZ-RISCZKNCSA-N 1 0 377.304 1.496 20 0 GDADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)CCO2 ZINC000819210433 655388176 /nfs/dbraw/zinc/38/81/76/655388176.db2.gz VXFQBSFNMZLWJM-RCBQFDQVSA-N 1 0 377.865 1.838 20 0 GDADRO CCS(=O)(=O)CC[NH2+]C[C@H](CO)Cc1cc(Br)ccc1OC ZINC000843117244 655388960 /nfs/dbraw/zinc/38/89/60/655388960.db2.gz NUILLXUWZOFNHS-GFCCVEGCSA-N 1 0 394.331 1.633 20 0 GDADRO O=C(Cc1noc(C[C@H]2C[NH2+]CCO2)n1)Nc1ccccc1Br ZINC000843218681 655390021 /nfs/dbraw/zinc/39/00/21/655390021.db2.gz BLKOJVIGEROTKN-JTQLQIEISA-N 1 0 381.230 1.544 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000819336591 655390097 /nfs/dbraw/zinc/39/00/97/655390097.db2.gz HSXVRBKVVUETIK-KVULBXGLSA-N 1 0 378.535 1.455 20 0 GDADRO C[C@@](O)(C[NH2+]CCCCS(N)(=O)=O)c1ccc(Br)cc1Cl ZINC000819331771 655390112 /nfs/dbraw/zinc/39/01/12/655390112.db2.gz BZWMXOUUVGYKMA-CYBMUJFWSA-N 1 0 399.738 1.968 20 0 GDADRO CN(C[C@H](O)C[NH2+]C1CCC(CS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000819337321 655390120 /nfs/dbraw/zinc/39/01/20/655390120.db2.gz NAJLUZXHAJCZNG-YMAMQOFZSA-N 1 0 378.535 1.407 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388.921 1.378 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])NS(=O)(=O)c1cccnc1Cl ZINC000843346362 655393248 /nfs/dbraw/zinc/39/32/48/655393248.db2.gz DCMQRKDHDHDMEX-JHJVBQTASA-N 1 0 388.921 1.426 20 0 GDADRO C[C@@]1(F)C[NH2+]CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000843387652 655394075 /nfs/dbraw/zinc/39/40/75/655394075.db2.gz MENCMTYJWDUIDM-OAHLLOKOSA-N 1 0 379.404 1.255 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 ZINC000843401834 655394372 /nfs/dbraw/zinc/39/43/72/655394372.db2.gz PAFZTDQGJJVDHH-RRFJBIMHSA-N 1 0 375.535 1.646 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 ZINC000843401833 655394385 /nfs/dbraw/zinc/39/43/85/655394385.db2.gz PAFZTDQGJJVDHH-RBSFLKMASA-N 1 0 375.535 1.646 20 0 GDADRO Cn1nc(Br)c2c1ncnc2NCCNC(=O)C1([NH3+])CCCCC1 ZINC000843430709 655394751 /nfs/dbraw/zinc/39/47/51/655394751.db2.gz DKKJICQYEZLUKL-UHFFFAOYSA-N 1 0 396.293 1.316 20 0 GDADRO 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GDADRO O=C(COC(=O)c1nscc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000845313693 655426663 /nfs/dbraw/zinc/42/66/63/655426663.db2.gz XOPPCAYVEILQAW-UHFFFAOYSA-N 1 0 388.287 1.805 20 0 GDADRO O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000821404664 655429393 /nfs/dbraw/zinc/42/93/93/655429393.db2.gz ZZQLOZKRTSVPIJ-CYBMUJFWSA-N 1 0 385.452 1.623 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000846033890 655445803 /nfs/dbraw/zinc/44/58/03/655445803.db2.gz XSRFFGAZVCFCAN-QLFBSQMISA-N 1 0 375.535 1.788 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1([S@](C)=O)CCC1 ZINC000846064025 655446476 /nfs/dbraw/zinc/44/64/76/655446476.db2.gz FLRGNRWLOAKDLV-SHZVTRLKSA-N 1 0 375.535 1.249 20 0 GDADRO CCn1ncc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1Br ZINC000822507543 655446612 /nfs/dbraw/zinc/44/66/12/655446612.db2.gz XYBUONXKFKMREX-GFCCVEGCSA-N 1 0 385.306 1.991 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)[C@@H]1CC[NH3+] ZINC000846229835 655450134 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GDADRO O=S(=O)(Cc1nc(N2CC[NH2+]CC2)no1)c1cccc(Br)c1 ZINC000823316507 655460204 /nfs/dbraw/zinc/46/02/04/655460204.db2.gz XYBANZWVTVYYPZ-UHFFFAOYSA-N 1 0 387.259 1.216 20 0 GDADRO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000823490059 655463840 /nfs/dbraw/zinc/46/38/40/655463840.db2.gz STUGGWGWWNATIB-QLFBSQMISA-N 1 0 375.535 1.646 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847586231 655472570 /nfs/dbraw/zinc/47/25/70/655472570.db2.gz ALMRMKGXFINCOP-CYBMUJFWSA-N 1 0 399.264 1.362 20 0 GDADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000824426600 655475187 /nfs/dbraw/zinc/47/51/87/655475187.db2.gz BIPKSYPZLNRGQX-CABCVRRESA-N 1 0 377.551 1.749 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCC(n2nncc2I)CC1 ZINC000824559518 655477431 /nfs/dbraw/zinc/47/74/31/655477431.db2.gz BZUKMTSWMGMZCY-UHFFFAOYSA-N 1 0 389.241 1.142 20 0 GDADRO C[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824608992 655477996 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1.126 20 0 GDADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCn1cnc(Br)n1 ZINC000851720938 655592633 /nfs/dbraw/zinc/59/26/33/655592633.db2.gz WNASNWCOPPTDPU-JTQLQIEISA-N 1 0 388.291 1.381 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000851729470 655593038 /nfs/dbraw/zinc/59/30/38/655593038.db2.gz BAVFIEBHAPBBGS-ZIAGYGMSSA-N 1 0 386.451 1.365 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000851768803 655594254 /nfs/dbraw/zinc/59/42/54/655594254.db2.gz OCSDEFHTXORERK-WDEREUQCSA-N 1 0 376.312 1.666 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c1F ZINC000851812127 655596197 /nfs/dbraw/zinc/59/61/97/655596197.db2.gz GDEMVOLRTRBQRR-LLVKDONJSA-N 1 0 376.425 1.856 20 0 GDADRO C[C@](CO)([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1ccc(Br)cc1 ZINC000852040160 655606430 /nfs/dbraw/zinc/60/64/30/655606430.db2.gz RQVLPVWNLWZGLD-QZTJIDSGSA-N 1 0 393.281 1.619 20 0 GDADRO C[C@](CO)([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1ccc(Br)cc1 ZINC000852040159 655606499 /nfs/dbraw/zinc/60/64/99/655606499.db2.gz RQVLPVWNLWZGLD-MSOLQXFVSA-N 1 0 393.281 1.619 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000852151739 655608959 /nfs/dbraw/zinc/60/89/59/655608959.db2.gz LXFZRRIUGGRRCO-GXTWGEPZSA-N 1 0 391.430 1.874 20 0 GDADRO Ic1cnnn1C1CC[NH+](CC2CCOCC2)CC1 ZINC000852533051 655617666 /nfs/dbraw/zinc/61/76/66/655617666.db2.gz RYOGJHKVYSWXLJ-UHFFFAOYSA-N 1 0 376.242 1.946 20 0 GDADRO O=C(c1cnn(-c2ccccc2)c1I)N1CCC[NH2+]CC1 ZINC000852790261 655622544 /nfs/dbraw/zinc/62/25/44/655622544.db2.gz NFEWYBRYAGOOLA-UHFFFAOYSA-N 1 0 396.232 1.912 20 0 GDADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000852818795 655623505 /nfs/dbraw/zinc/62/35/05/655623505.db2.gz OUIWBXSKMADLAI-GFCCVEGCSA-N 1 0 389.244 1.646 20 0 GDADRO O=C(C[C@@H]1CC[NH2+]C1)N1CCC(n2nncc2I)CC1 ZINC000852860687 655624300 /nfs/dbraw/zinc/62/43/00/655624300.db2.gz IGGMIKUJKRHDBG-JTQLQIEISA-N 1 0 389.241 1.046 20 0 GDADRO CC(C)[C@@H]([NH3+])C(=O)N1CCC(n2nncc2I)CC1 ZINC000852860368 655624307 /nfs/dbraw/zinc/62/43/07/655624307.db2.gz DAUJWDQHFYOBCW-LLVKDONJSA-N 1 0 377.230 1.030 20 0 GDADRO CC[C@H]([NH2+]C)C(=O)N1CCC(n2nncc2I)CC1 ZINC000852860923 655624418 /nfs/dbraw/zinc/62/44/18/655624418.db2.gz LKKNMVIFBIHHQG-JTQLQIEISA-N 1 0 377.230 1.044 20 0 GDADRO C[C@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1(Br)Br ZINC000852881830 655625237 /nfs/dbraw/zinc/62/52/37/655625237.db2.gz QOXHHEBLFZJCJW-HTRCEHHLSA-N 1 0 376.039 1.996 20 0 GDADRO O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCn2c(Br)cnc2C1 ZINC000852886962 655625239 /nfs/dbraw/zinc/62/52/39/655625239.db2.gz AOEFXBZGMFXISQ-NSHDSACASA-N 1 0 394.277 1.208 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cnn(-c2ccccc2)c1Br ZINC000852883540 655625263 /nfs/dbraw/zinc/62/52/63/655625263.db2.gz YNCCPCBOWIVTDC-CYBMUJFWSA-N 1 0 379.258 1.743 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)C3=NO[C@@H](C[NH3+])C3)C2=O)ccc1Br ZINC000852889394 655625391 /nfs/dbraw/zinc/62/53/91/655625391.db2.gz OFQILWZKFFNSIH-YPMHNXCESA-N 1 0 395.257 1.083 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NCc2noc(-c3cccc(Br)c3)n2)=NO1 ZINC000852891355 655625412 /nfs/dbraw/zinc/62/54/12/655625412.db2.gz QPBADMBZRZHHQN-JTQLQIEISA-N 1 0 380.202 1.219 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NCc2ccc(Br)cc2N2CCOCC2)=NO1 ZINC000852895010 655625649 /nfs/dbraw/zinc/62/56/49/655625649.db2.gz WNFZSGOTOKDNLS-ZDUSSCGKSA-N 1 0 397.273 1.006 20 0 GDADRO C[C@]12CCN(C(=O)C[C@@H]3C[NH2+]CCO3)C[C@H]1C2(Br)Br ZINC000852901500 655626120 /nfs/dbraw/zinc/62/61/20/655626120.db2.gz JPRLQAXNSLFHLE-FOGDFJRCSA-N 1 0 396.123 1.719 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000853081086 655632291 /nfs/dbraw/zinc/63/22/91/655632291.db2.gz KLACRBDEIZXAJD-ZETCQYMHSA-N 1 0 375.756 1.032 20 0 GDADRO C[C@H]([NH2+]CCOCCF)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000853238944 655637110 /nfs/dbraw/zinc/63/71/10/655637110.db2.gz VSSIFCORBQTDAJ-LBPRGKRZSA-N 1 0 382.479 1.049 20 0 GDADRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1cnc(Br)cn1 ZINC000854349137 655663026 /nfs/dbraw/zinc/66/30/26/655663026.db2.gz BTCWNXWQQBYNJP-UHFFFAOYSA-N 1 0 383.290 1.890 20 0 GDADRO C[NH+](C)CC1CN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000854722775 655675159 /nfs/dbraw/zinc/67/51/59/655675159.db2.gz LDJMIHOJPHXVNV-UHFFFAOYSA-N 1 0 378.523 1.948 20 0 GDADRO C[C@@]1(C(=O)NCC[NH+]2CCC(O)CC2)CC1(Br)Br ZINC000854850506 655679312 /nfs/dbraw/zinc/67/93/12/655679312.db2.gz IHFXHGPHGBPTCN-NSHDSACASA-N 1 0 384.112 1.455 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)c1ccc(C(F)(F)Br)nc1 ZINC000854851726 655679386 /nfs/dbraw/zinc/67/93/86/655679386.db2.gz SHZYJJZQXQZHFR-UHFFFAOYSA-N 1 0 378.217 1.712 20 0 GDADRO C[C@@H](CC(=O)NCC[C@H](C)[NH+](C)C)NS(=O)(=O)c1cccnc1Cl ZINC000855410683 655693503 /nfs/dbraw/zinc/69/35/03/655693503.db2.gz IOOLJLQUHXWLKT-RYUDHWBXSA-N 1 0 376.910 1.248 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000855698038 655699684 /nfs/dbraw/zinc/69/96/84/655699684.db2.gz JQOQBCHPLHPFBI-UHFFFAOYSA-N 1 0 380.798 1.846 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000856745489 655716501 /nfs/dbraw/zinc/71/65/01/655716501.db2.gz GHVCUMRJZGCJKU-HUUCEWRRSA-N 1 0 375.535 1.505 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC([C@H](O)c2ccnn2C)CC1 ZINC000856797727 655719347 /nfs/dbraw/zinc/71/93/47/655719347.db2.gz KWWYALNLWNUOQT-HOTGVXAUSA-N 1 0 375.406 1.750 20 0 GDADRO O=C(NCC[C@@H]1CC1(Cl)Cl)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000856839015 655720138 /nfs/dbraw/zinc/72/01/38/655720138.db2.gz GVOZHRYBABKFGI-KGLIPLIRSA-N 1 0 379.332 1.276 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)NCC[C@H](C)[NH3+] ZINC000857109085 655728040 /nfs/dbraw/zinc/72/80/40/655728040.db2.gz IEEJYAJLTHTFQW-NWDGAFQWSA-N 1 0 388.306 1.645 20 0 GDADRO O=C(c1c(Br)nc2n1CCOC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000857133779 655728686 /nfs/dbraw/zinc/72/86/86/655728686.db2.gz LDVLOBTVUVUETJ-LBPRGKRZSA-N 1 0 383.290 1.734 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c(Br)nc2n1CCOC2 ZINC000857298879 655733770 /nfs/dbraw/zinc/73/37/70/655733770.db2.gz KTICNTCTJRAAKE-RYUDHWBXSA-N 1 0 383.290 1.923 20 0 GDADRO COC(=O)CCNC(=O)CC[NH2+]Cc1cc(Br)cnc1Cl ZINC000858293036 655746758 /nfs/dbraw/zinc/74/67/58/655746758.db2.gz IEOCYELPTJOLFL-UHFFFAOYSA-N 1 0 378.654 1.657 20 0 GDADRO COc1cc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)ccc1S(=O)(=O)C(F)F ZINC000858469443 655748493 /nfs/dbraw/zinc/74/84/93/655748493.db2.gz OUWLHDFGHIYQRG-WCFLWFBJSA-N 1 0 379.425 1.882 20 0 GDADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)ccc1S(=O)(=O)C(F)F ZINC000858469442 655748516 /nfs/dbraw/zinc/74/85/16/655748516.db2.gz OUWLHDFGHIYQRG-UHTWSYAYSA-N 1 0 379.425 1.882 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000858499149 655748749 /nfs/dbraw/zinc/74/87/49/655748749.db2.gz YYINSGKWDWHKGA-AAVRWANBSA-N 1 0 382.473 1.804 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000858610792 655750099 /nfs/dbraw/zinc/75/00/99/655750099.db2.gz QBXZQMYRAUQGDQ-GXFFZTMASA-N 1 0 379.404 1.935 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858612067 655750238 /nfs/dbraw/zinc/75/02/38/655750238.db2.gz GDEWXZIRKXAQBT-LBPRGKRZSA-N 1 0 379.404 1.854 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1)C(F)(F)F ZINC000858613474 655750323 /nfs/dbraw/zinc/75/03/23/655750323.db2.gz WZIUCRJIEDMSNO-LLVKDONJSA-N 1 0 379.404 1.998 20 0 GDADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000858619619 655750749 /nfs/dbraw/zinc/75/07/49/655750749.db2.gz OHZNWQPOOUDIDH-LBPRGKRZSA-N 1 0 398.428 1.543 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 ZINC000858624353 655751021 /nfs/dbraw/zinc/75/10/21/655751021.db2.gz FEKAGVGSVBBEOS-QWHCGFSZSA-N 1 0 391.287 1.655 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000858625838 655751145 /nfs/dbraw/zinc/75/11/45/655751145.db2.gz DMMPCQJOTMAQNN-UHFFFAOYSA-N 1 0 379.276 1.166 20 0 GDADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000858642783 655751909 /nfs/dbraw/zinc/75/19/09/655751909.db2.gz QHDFNYDCZOIRSJ-MRVPVSSYSA-N 1 0 376.276 1.302 20 0 GDADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)nc1F ZINC000858902795 655755252 /nfs/dbraw/zinc/75/52/52/655755252.db2.gz FKVVYDJBIHGOPR-NXEZZACHSA-N 1 0 378.267 1.888 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Br)nc1F ZINC000859016652 655759509 /nfs/dbraw/zinc/75/95/09/655759509.db2.gz UTVQLABKHXYNQD-UWVGGRQHSA-N 1 0 380.283 1.944 20 0 GDADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC1 ZINC000859096975 655763120 /nfs/dbraw/zinc/76/31/20/655763120.db2.gz HVDGXYROXVRAQY-UHFFFAOYSA-N 1 0 377.388 1.728 20 0 GDADRO Cc1nc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(Br)n1C ZINC000859346892 655777390 /nfs/dbraw/zinc/77/73/90/655777390.db2.gz GQSQBJLKEYBXGH-GFCCVEGCSA-N 1 0 391.335 1.786 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000859614957 655787952 /nfs/dbraw/zinc/78/79/52/655787952.db2.gz MKRKEAMVSGUMKY-LLVKDONJSA-N 1 0 390.893 1.172 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000860047743 655793988 /nfs/dbraw/zinc/79/39/88/655793988.db2.gz HLMDQWSYEWRBFH-GVDBMIGSSA-N 1 0 387.318 1.496 20 0 GDADRO CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000860050556 655794304 /nfs/dbraw/zinc/79/43/04/655794304.db2.gz XWOZODKCJFYJOP-FQUUOJAGSA-N 1 0 382.448 1.541 20 0 GDADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000861509257 655824153 /nfs/dbraw/zinc/82/41/53/655824153.db2.gz IMDUVAQAANEJDN-NSHDSACASA-N 1 0 389.681 1.892 20 0 GDADRO Cc1nc(Cl)ccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000861515717 655824242 /nfs/dbraw/zinc/82/42/42/655824242.db2.gz KSPOUQBIODLRFS-UWVGGRQHSA-N 1 0 378.782 1.968 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000861522299 655824459 /nfs/dbraw/zinc/82/44/59/655824459.db2.gz SCRDXHYPYOBVGF-HNNXBMFYSA-N 1 0 392.253 1.645 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000861543607 655825683 /nfs/dbraw/zinc/82/56/83/655825683.db2.gz BTLNHKBKXMRHAG-SMDDNHRTSA-N 1 0 382.917 1.698 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCC1([NH3+])CCOCC1 ZINC000861667262 655827860 /nfs/dbraw/zinc/82/78/60/655827860.db2.gz QTYDVXFNUDFGGT-CQSZACIVSA-N 1 0 386.290 1.632 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000861786628 655830668 /nfs/dbraw/zinc/83/06/68/655830668.db2.gz YZMFFQVJJLSFPW-VIFPVBQESA-N 1 0 378.217 1.463 20 0 GDADRO O=C(c1cc(I)c[nH]1)N1CCC([NH+]2CCOCC2)CC1 ZINC000862214876 655842189 /nfs/dbraw/zinc/84/21/89/655842189.db2.gz BPALGJIHBCKCEH-UHFFFAOYSA-N 1 0 389.237 1.556 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000862402121 655845948 /nfs/dbraw/zinc/84/59/48/655845948.db2.gz ZKRCLFQOGNTICE-RYUDHWBXSA-N 1 0 383.461 1.255 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)C[C@H]21 ZINC000863450299 655873505 /nfs/dbraw/zinc/87/35/05/655873505.db2.gz JDUWRUZVQCFECC-ITGUQSILSA-N 1 0 398.428 1.161 20 0 GDADRO CON(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000863586414 655876686 /nfs/dbraw/zinc/87/66/86/655876686.db2.gz GQFHMQHXKOCIDA-MWLCHTKSSA-N 1 0 395.681 1.840 20 0 GDADRO CON(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000863586875 655876737 /nfs/dbraw/zinc/87/67/37/655876737.db2.gz GQFHMQHXKOCIDA-GXSJLCMTSA-N 1 0 395.681 1.840 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000863765016 655880340 /nfs/dbraw/zinc/88/03/40/655880340.db2.gz LFJIVKILOMLXFN-IUODEOHRSA-N 1 0 397.317 1.658 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000865178670 655913862 /nfs/dbraw/zinc/91/38/62/655913862.db2.gz CIFYFRAUMGJYRT-UHFFFAOYSA-N 1 0 398.301 1.372 20 0 GDADRO Cn1cc(S(=O)(=O)N2C[C@H](C[NH3+])Cc3ccccc32)c(Br)n1 ZINC000865213061 655914780 /nfs/dbraw/zinc/91/47/80/655914780.db2.gz RBILLTZKCLGRNK-JTQLQIEISA-N 1 0 385.287 1.509 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2ccncc2Br)CC1 ZINC000865455214 655920143 /nfs/dbraw/zinc/92/01/43/655920143.db2.gz BCVHNHXFYWSOLR-UHFFFAOYSA-N 1 0 376.320 1.443 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000865659178 655923636 /nfs/dbraw/zinc/92/36/36/655923636.db2.gz FUNMIDFPACFNED-ZDUSSCGKSA-N 1 0 394.317 1.965 20 0 GDADRO NS(=O)(=O)c1cc(Br)ccc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000865843812 655928243 /nfs/dbraw/zinc/92/82/43/655928243.db2.gz SCNMOMMHPTYAJU-LBPRGKRZSA-N 1 0 392.319 1.355 20 0 GDADRO Cn1cc(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c(Br)n1 ZINC000866491109 655946893 /nfs/dbraw/zinc/94/68/93/655946893.db2.gz KCLUFUQKLNOJCS-GFCCVEGCSA-N 1 0 393.351 1.971 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cnn(C)c2Br)C1 ZINC000866506425 655947766 /nfs/dbraw/zinc/94/77/66/655947766.db2.gz JSJLLQWZYMGGLS-TXEJJXNPSA-N 1 0 393.351 1.829 20 0 GDADRO O=S(=O)(N=S1(=O)CCCC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000866643946 655952271 /nfs/dbraw/zinc/95/22/71/655952271.db2.gz MLSWDNMVJSIAOI-KRWDZBQOSA-N 1 0 385.555 1.995 20 0 GDADRO [NH3+][C@@H]1CCCCCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000866669888 655952872 /nfs/dbraw/zinc/95/28/72/655952872.db2.gz AGILRNPWDQHDTL-GFCCVEGCSA-N 1 0 375.441 1.825 20 0 GDADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)N=S1(=O)CCCC1 ZINC000866672099 655952939 /nfs/dbraw/zinc/95/29/39/655952939.db2.gz GHIPIXNCGARQRN-UHFFFAOYSA-N 1 0 375.516 1.223 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cnn(C)c2Br)CC1 ZINC000866680386 655954028 /nfs/dbraw/zinc/95/40/28/655954028.db2.gz HBCPDWNCPYHSDT-UHFFFAOYSA-N 1 0 379.324 1.583 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2ccc(F)c(Br)c2)C1 ZINC000866707869 655955613 /nfs/dbraw/zinc/95/56/13/655955613.db2.gz BTZUAVHERHQXET-GLQYFDAESA-N 1 0 384.249 1.955 20 0 GDADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(Cl)nc3F)CC2)c1 ZINC000866737932 655957665 /nfs/dbraw/zinc/95/76/65/655957665.db2.gz IYVWRQMVTQEZGU-UHFFFAOYSA-N 1 0 386.836 1.789 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000866738566 655957727 /nfs/dbraw/zinc/95/77/27/655957727.db2.gz OPAKMQLNFDZDLD-LLVKDONJSA-N 1 0 377.304 1.958 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(Br)n1 ZINC000866750171 655958795 /nfs/dbraw/zinc/95/87/95/655958795.db2.gz JPONNTUKTZTSQA-LLVKDONJSA-N 1 0 377.308 1.432 20 0 GDADRO Cn1ncc(S(=O)(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1Br ZINC000866768469 655960957 /nfs/dbraw/zinc/96/09/57/655960957.db2.gz BFVAQKHDBIPVGB-LBPRGKRZSA-N 1 0 387.303 1.941 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1Br ZINC000866769447 655960991 /nfs/dbraw/zinc/96/09/91/655960991.db2.gz KWNKUCSFZNRSRS-MNOVXSKESA-N 1 0 377.308 1.335 20 0 GDADRO CC1(C)CC[C@@H](CNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)[NH2+]C1 ZINC000866785412 655963381 /nfs/dbraw/zinc/96/33/81/655963381.db2.gz VUZXCEIPTPBKRV-NSHDSACASA-N 1 0 378.491 1.286 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[C@H]([NH3+])Cc2ccccc2)c(Br)n1 ZINC000866786906 655963469 /nfs/dbraw/zinc/96/34/69/655963469.db2.gz FZAMSTOCXQXEMR-LBPRGKRZSA-N 1 0 387.303 1.421 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000866788194 655963615 /nfs/dbraw/zinc/96/36/15/655963615.db2.gz SCLPFPNQCMKHIP-GHMZBOCLSA-N 1 0 377.304 1.814 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000866805502 655965664 /nfs/dbraw/zinc/96/56/64/655965664.db2.gz MDMZTNDKQHRGAZ-JGZJWPJOSA-N 1 0 391.287 1.641 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)C1CC[NH2+]CC1 ZINC000866810069 655966102 /nfs/dbraw/zinc/96/61/02/655966102.db2.gz NTXDPIDSFBUYGE-SNVBAGLBSA-N 1 0 379.404 1.854 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(I)c1)C1CC[NH2+]CC1 ZINC000866812714 655966339 /nfs/dbraw/zinc/96/63/39/655966339.db2.gz KBWXERCXCOKHOL-JTQLQIEISA-N 1 0 394.278 1.958 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000866815246 655966507 /nfs/dbraw/zinc/96/65/07/655966507.db2.gz NVTRSSCKZRNBOM-INIZCTEOSA-N 1 0 390.527 1.929 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1Cl ZINC000866818014 655966709 /nfs/dbraw/zinc/96/67/09/655966709.db2.gz ZAQKFPSWFCWFHT-UPJWGTAASA-N 1 0 385.873 1.204 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000866819128 655966802 /nfs/dbraw/zinc/96/68/02/655966802.db2.gz CGHWMZLUUTXATQ-DZGCQCFKSA-N 1 0 385.917 1.804 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)C(F)F ZINC000866823898 655967259 /nfs/dbraw/zinc/96/72/59/655967259.db2.gz JTCGFPPMJJBIEB-GHMZBOCLSA-N 1 0 380.438 1.198 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(Br)o1 ZINC000866827940 655967674 /nfs/dbraw/zinc/96/76/74/655967674.db2.gz TZYSIUYRLIYPMJ-DTWKUNHWSA-N 1 0 393.259 1.344 20 0 GDADRO C[S@](=O)(=NS(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1F ZINC000866855091 655970668 /nfs/dbraw/zinc/97/06/68/655970668.db2.gz WSEBUGHUOCOAGO-JBEBIEQOSA-N 1 0 389.518 1.945 20 0 GDADRO C[C@H]1C[C@H](NS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC[N@@H+]1C ZINC000866871143 655972210 /nfs/dbraw/zinc/97/22/10/655972210.db2.gz FTEPUXVNRKKHAA-WDEREUQCSA-N 1 0 379.404 1.948 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1C(F)(F)F ZINC000866881060 655973171 /nfs/dbraw/zinc/97/31/71/655973171.db2.gz ZQMKKODVJULFFR-GFCCVEGCSA-N 1 0 380.436 1.935 20 0 GDADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)S(=O)(=O)N=S(C)(C)=O ZINC000866929164 655978483 /nfs/dbraw/zinc/97/84/83/655978483.db2.gz BDRFRPZXUWTRLN-UHFFFAOYSA-N 1 0 394.607 1.087 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000867013692 655987348 /nfs/dbraw/zinc/98/73/48/655987348.db2.gz YYCPQFQJKPVSLW-LBPRGKRZSA-N 1 0 391.335 1.535 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@](C)(O)c2ccccc2Cl)CC1 ZINC000867112628 655996768 /nfs/dbraw/zinc/99/67/68/655996768.db2.gz NEJUJLWWJGDQKA-KRWDZBQOSA-N 1 0 389.949 1.104 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC000867111989 655996804 /nfs/dbraw/zinc/99/68/04/655996804.db2.gz IWRZZBMKAFUUBV-QGZVFWFLSA-N 1 0 389.949 1.104 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867121200 655998311 /nfs/dbraw/zinc/99/83/11/655998311.db2.gz MTOSUCQJWSBUKS-LLVKDONJSA-N 1 0 381.329 1.693 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000867184772 656007786 /nfs/dbraw/zinc/00/77/86/656007786.db2.gz AJNFIRCLXOISNE-QGZVFWFLSA-N 1 0 375.535 1.743 20 0 GDADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cnn(C)c2C(F)(F)F)CCCO1 ZINC000867191817 656009465 /nfs/dbraw/zinc/00/94/65/656009465.db2.gz RUWOWZMKKWWBPB-LLVKDONJSA-N 1 0 384.424 1.218 20 0 GDADRO Cn1cc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c(Br)n1 ZINC000867206325 656013475 /nfs/dbraw/zinc/01/34/75/656013475.db2.gz FPXJGSZCYULXPO-LLVKDONJSA-N 1 0 379.324 1.581 20 0 GDADRO CSC1(CNS(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC000867279457 656030008 /nfs/dbraw/zinc/03/00/08/656030008.db2.gz ATQKPEFYMVUBHS-UHFFFAOYSA-N 1 0 393.575 1.353 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)c(OC)cc1F ZINC000867281638 656030265 /nfs/dbraw/zinc/03/02/65/656030265.db2.gz FTJMTDAIZGVPJJ-LLVKDONJSA-N 1 0 376.450 1.628 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867285650 656031228 /nfs/dbraw/zinc/03/12/28/656031228.db2.gz GADKIEZCODTWGI-GOEBONIOSA-N 1 0 394.313 1.960 20 0 GDADRO COC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c1cccc(Br)c1 ZINC000867323361 656037865 /nfs/dbraw/zinc/03/78/65/656037865.db2.gz CYISHLUIBZCZBM-AWEZNQCLSA-N 1 0 386.290 1.273 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N2CC(C[NH+](C)C)C2)ccc1Br ZINC000867323313 656038001 /nfs/dbraw/zinc/03/80/01/656038001.db2.gz BYDNJYOAMPCXFP-UHFFFAOYSA-N 1 0 375.288 1.834 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH+](C)C)CC2)c(Br)o1 ZINC000867438848 656061392 /nfs/dbraw/zinc/06/13/92/656061392.db2.gz ITRNADNQJSFNJD-UHFFFAOYSA-N 1 0 381.248 1.201 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc3onc(Cl)c3c1)CCO2 ZINC000867452263 656063827 /nfs/dbraw/zinc/06/38/27/656063827.db2.gz CKJIWWRWFWBLID-UHFFFAOYSA-N 1 0 385.873 1.967 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc(Br)ncc1Br ZINC000867462151 656065545 /nfs/dbraw/zinc/06/55/45/656065545.db2.gz 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O=C(Nc1ccc(S(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1)C(F)(F)F ZINC000871819179 656283741 /nfs/dbraw/zinc/28/37/41/656283741.db2.gz JWBMAUKKSAKOTO-TZMCWYRMSA-N 1 0 377.388 1.750 20 0 GDADRO O=S(=O)(N[C@H]1CCCCC12CC[NH2+]CC2)c1nc[nH]c1Br ZINC000871819068 656283775 /nfs/dbraw/zinc/28/37/75/656283775.db2.gz QCUHPIUSGSJCNB-JTQLQIEISA-N 1 0 377.308 1.763 20 0 GDADRO CCOC(=O)c1ccsc1NC(=O)CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872153089 656318925 /nfs/dbraw/zinc/31/89/25/656318925.db2.gz YLYREKFELCRKEA-KOLCDFICSA-N 1 0 379.404 1.932 20 0 GDADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872186934 656319391 /nfs/dbraw/zinc/31/93/91/656319391.db2.gz PQZAPHJRQWXIDW-QWRGUYRKSA-N 1 0 378.782 1.289 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872186485 656319443 /nfs/dbraw/zinc/31/94/43/656319443.db2.gz WBNMDKKETBZTQD-SUMWQHHRSA-N 1 0 380.286 1.475 20 0 GDADRO COC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000872236479 656320902 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ZINC000922339295 656468917 /nfs/dbraw/zinc/46/89/17/656468917.db2.gz OVKULFIJGYAHDA-UONOGXRCSA-N 1 0 375.535 1.693 20 0 GDADRO C[C@H]1[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC[N@@H+]1C ZINC000922348847 656469819 /nfs/dbraw/zinc/46/98/19/656469819.db2.gz PAZGTYBMZMXULH-GWCFXTLKSA-N 1 0 392.884 1.149 20 0 GDADRO CCn1ncc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1Br ZINC000874468392 656473665 /nfs/dbraw/zinc/47/36/65/656473665.db2.gz IRYJBZKSFLLBHP-UHFFFAOYSA-N 1 0 386.338 1.764 20 0 GDADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000922519329 656488568 /nfs/dbraw/zinc/48/85/68/656488568.db2.gz QBBLRGMEJRDBHU-AWEZNQCLSA-N 1 0 376.567 1.655 20 0 GDADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000874847041 656490523 /nfs/dbraw/zinc/49/05/23/656490523.db2.gz LYCSEAFJXOJNQB-ZIAGYGMSSA-N 1 0 383.539 1.841 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874848975 656490616 /nfs/dbraw/zinc/49/06/16/656490616.db2.gz 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ZINC000923464917 656554093 /nfs/dbraw/zinc/55/40/93/656554093.db2.gz RVQGSPDTTVPQMB-UHFFFAOYSA-N 1 0 377.233 1.161 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ncc(Br)s1 ZINC000875784392 656563954 /nfs/dbraw/zinc/56/39/54/656563954.db2.gz DFZUYYNYMOKLOX-JTQLQIEISA-N 1 0 389.319 1.322 20 0 GDADRO C[C@]12CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C[C@H]1C2(Cl)Cl ZINC000875800224 656566720 /nfs/dbraw/zinc/56/67/20/656566720.db2.gz ICEKEHJPSRYPJQ-ZOWXZIJZSA-N 1 0 377.316 1.552 20 0 GDADRO O=S(=O)(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000923616246 656577526 /nfs/dbraw/zinc/57/75/26/656577526.db2.gz UIAHHKOWBDSNHQ-MNOVXSKESA-N 1 0 383.297 1.405 20 0 GDADRO COc1cc(CN(C)S(=O)(=O)N2CC[NH2+]CC2)c(SC)cc1OC ZINC000923617313 656577819 /nfs/dbraw/zinc/57/78/19/656577819.db2.gz CFYMREKWQBIBAF-UHFFFAOYSA-N 1 0 375.516 1.008 20 0 GDADRO CN1CC[C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000923636415 656579032 /nfs/dbraw/zinc/57/90/32/656579032.db2.gz XOCUDGBOEMHDEA-BBRMVZONSA-N 1 0 390.912 1.212 20 0 GDADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2occc2Br)CC1 ZINC000923649119 656579926 /nfs/dbraw/zinc/57/99/26/656579926.db2.gz YDYWNZHJOPFNEC-QWHCGFSZSA-N 1 0 393.303 1.949 20 0 GDADRO CC1(C)COc2c(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cnn2C1 ZINC000923678314 656582199 /nfs/dbraw/zinc/58/21/99/656582199.db2.gz WJYFFJGDKWODFW-NXEZZACHSA-N 1 0 382.408 1.202 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000923680279 656582909 /nfs/dbraw/zinc/58/29/09/656582909.db2.gz SDXQTICNJFVKEG-IAGOWNOFSA-N 1 0 386.539 1.517 20 0 GDADRO O=S(=O)(NCCCCCN1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000923680886 656583451 /nfs/dbraw/zinc/58/34/51/656583451.db2.gz AKUVDKSYZBPDLR-UHFFFAOYSA-N 1 0 377.457 1.642 20 0 GDADRO O=C1O[C@H](CNS(=O)(=O)c2cnc3ccsc3c2)CC12CC[NH2+]CC2 ZINC000923684832 656586584 /nfs/dbraw/zinc/58/65/84/656586584.db2.gz QDLZRGXTPIRAGT-NSHDSACASA-N 1 0 381.479 1.260 20 0 GDADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ncccc1Br)CC2 ZINC000923687752 656588352 /nfs/dbraw/zinc/58/83/52/656588352.db2.gz KMOSXYBKRFOILM-LLVKDONJSA-N 1 0 390.303 1.363 20 0 GDADRO C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)NCc1cnc(Cl)s1 ZINC000923690677 656588848 /nfs/dbraw/zinc/58/88/48/656588848.db2.gz OOZRFDYZVAPKRX-STQMWFEESA-N 1 0 387.937 1.343 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)C1 ZINC000876262320 656589718 /nfs/dbraw/zinc/58/97/18/656589718.db2.gz BQHKGLOOOFTKNO-HWMZRRJGSA-N 1 0 380.286 1.453 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000923700968 656592999 /nfs/dbraw/zinc/59/29/99/656592999.db2.gz WQGIOOHWHDBTRN-LLVKDONJSA-N 1 0 377.304 1.958 20 0 GDADRO CC1(C)CN(C(=O)NCc2ncc(Br)s2)CC[N@@H+]1CCO ZINC000876287487 656594109 /nfs/dbraw/zinc/59/41/09/656594109.db2.gz QMRVYFNRFNRFLX-UHFFFAOYSA-N 1 0 377.308 1.504 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCc2cc(Br)c(F)cc2C1 ZINC000923729286 656595566 /nfs/dbraw/zinc/59/55/66/656595566.db2.gz LSBCGCYQZGUUAW-GFCCVEGCSA-N 1 0 393.278 1.265 20 0 GDADRO C[C@@H](CCNC(=O)NCc1c(I)cnn1C)[NH+](C)C ZINC000876301224 656596619 /nfs/dbraw/zinc/59/66/19/656596619.db2.gz WZAROAVHLZQWEE-VIFPVBQESA-N 1 0 379.246 1.164 20 0 GDADRO Cn1ncc(S(=O)(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)c1Br ZINC000923748936 656598318 /nfs/dbraw/zinc/59/83/18/656598318.db2.gz OZSCNSPHWGTYQU-LLVKDONJSA-N 1 0 399.314 1.899 20 0 GDADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1nscc1Br ZINC000876475852 656607268 /nfs/dbraw/zinc/60/72/68/656607268.db2.gz RSCGPEJDXLLJOD-ZDUSSCGKSA-N 1 0 378.292 1.325 20 0 GDADRO COc1ccccc1[C@H]([NH3+])CNC(=O)Cn1ccc(Br)cc1=O ZINC000876506086 656610461 /nfs/dbraw/zinc/61/04/61/656610461.db2.gz DUXJPVAALINTOR-CYBMUJFWSA-N 1 0 380.242 1.436 20 0 GDADRO COC[C@@]1(C(=O)Nc2nnc(SCc3ccccc3)s2)C[NH2+]CCO1 ZINC000876550647 656612265 /nfs/dbraw/zinc/61/22/65/656612265.db2.gz JSSRAYUTAYXZIN-MRXNPFEDSA-N 1 0 380.495 1.774 20 0 GDADRO CCOP(=O)(CCC[NH+]1CCN(CC(=O)N2CCCC2)CC1)OCC ZINC000876546781 656612289 /nfs/dbraw/zinc/61/22/89/656612289.db2.gz VPHJDNYDPGZGPO-UHFFFAOYSA-N 1 0 375.450 1.883 20 0 GDADRO O=C(NCCOC(F)(F)C(F)(F)F)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000923973342 656615129 /nfs/dbraw/zinc/61/51/29/656615129.db2.gz JPVICYUYHDSQSE-NSHDSACASA-N 1 0 375.338 1.711 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000876594022 656615793 /nfs/dbraw/zinc/61/57/93/656615793.db2.gz YMRABOOPPLZRDF-HRCADAONSA-N 1 0 385.917 1.183 20 0 GDADRO COc1nc(-c2noc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)ncc1Br ZINC000923976888 656616064 /nfs/dbraw/zinc/61/60/64/656616064.db2.gz UCOUCMNHXVZRAX-WPRPVWTQSA-N 1 0 382.218 1.833 20 0 GDADRO COC[C@]1(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)C[NH2+]CCO1 ZINC000876628035 656619125 /nfs/dbraw/zinc/61/91/25/656619125.db2.gz MSAAHQGFGZJURP-WBVHZDCISA-N 1 0 399.285 1.354 20 0 GDADRO COC[C@]1(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C[NH2+]CCO1 ZINC000876641622 656621181 /nfs/dbraw/zinc/62/11/81/656621181.db2.gz QQKCNBONQAARCQ-WBVHZDCISA-N 1 0 389.279 1.898 20 0 GDADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876648002 656621530 /nfs/dbraw/zinc/62/15/30/656621530.db2.gz VAMHVXCCTVPKPP-QPUJVOFHSA-N 1 0 383.367 1.963 20 0 GDADRO COC[C@@]1(C(=O)NC[C@@H](C)Oc2ccccc2Br)C[NH2+]CCO1 ZINC000876683916 656624171 /nfs/dbraw/zinc/62/41/71/656624171.db2.gz ZGTSWQPPWHMKOI-MLGOLLRUSA-N 1 0 387.274 1.338 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCN(C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000876709781 656626094 /nfs/dbraw/zinc/62/60/94/656626094.db2.gz ZXCIOZMPLRGGQL-JKSUJKDBSA-N 1 0 382.302 1.772 20 0 GDADRO C[S@](=O)C1(C(=O)NCCNc2ccc(C(F)(F)F)cn2)CC[NH2+]CC1 ZINC000876717453 656626243 /nfs/dbraw/zinc/62/62/43/656626243.db2.gz FFFFFZRWVLADFC-VWLOTQADSA-N 1 0 378.420 1.129 20 0 GDADRO Cn1ncc(C[NH3+])c1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000876773074 656630216 /nfs/dbraw/zinc/63/02/16/656630216.db2.gz VVHDETNWHDKZEI-UHFFFAOYSA-N 1 0 377.754 1.755 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)c2cc(I)nn2C)CC1 ZINC000876791748 656630970 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[NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Cn3ccc(Br)cc3=O)CC2)C1 ZINC000876920718 656640193 /nfs/dbraw/zinc/64/01/93/656640193.db2.gz ATXBRLFCVKBJBD-CABCVRRESA-N 1 0 398.301 1.356 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000876957505 656642282 /nfs/dbraw/zinc/64/22/82/656642282.db2.gz XVFCXPNSTSUZHV-AWEZNQCLSA-N 1 0 382.302 1.849 20 0 GDADRO Cn1ncc(C[NH3+])c1C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000876966901 656642955 /nfs/dbraw/zinc/64/29/55/656642955.db2.gz YUBUDDSXPDUUMK-UHFFFAOYSA-N 1 0 378.274 1.604 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000877009663 656645778 /nfs/dbraw/zinc/64/57/78/656645778.db2.gz VJTLUQRGUVXIBN-VHSXEESVSA-N 1 0 380.297 1.705 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1I ZINC000877052352 656649734 /nfs/dbraw/zinc/64/97/34/656649734.db2.gz RCEHXZHOOSNXDD-ZJUUUORDSA-N 1 0 376.242 1.939 20 0 GDADRO CC[C@H]([NH2+]Cc1ccc(C(=O)OC)c(Br)c1)C(=O)N1CCOCC1 ZINC000877076353 656651609 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380.242 1.794 20 0 GDADRO CN(CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)C(=O)c1ccc(Br)s1 ZINC000877396099 656673103 /nfs/dbraw/zinc/67/31/03/656673103.db2.gz SCWTVLGAPLJPHA-XHDPSFHLSA-N 1 0 386.315 1.983 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877400897 656673797 /nfs/dbraw/zinc/67/37/97/656673797.db2.gz XEZPSEWJZNEUGJ-RHSMWYFYSA-N 1 0 383.539 1.476 20 0 GDADRO COCCS(=O)(=O)c1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000877476520 656676397 /nfs/dbraw/zinc/67/63/97/656676397.db2.gz GPWBSVDZRMKEMQ-UHFFFAOYSA-N 1 0 375.512 1.021 20 0 GDADRO C[C@@H]1CC[C@H]([NH2+]C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CS1(=O)=O ZINC000877629183 656684652 /nfs/dbraw/zinc/68/46/52/656684652.db2.gz PDKDTOOPRTVENG-RDBSUJKOSA-N 1 0 376.519 1.914 20 0 GDADRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000877651830 656685630 /nfs/dbraw/zinc/68/56/30/656685630.db2.gz LYGQMDWZMPRMRR-NSHDSACASA-N 1 0 389.271 1.448 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCO[C@H]2C(=O)OC)c(Br)c1 ZINC000877725989 656689212 /nfs/dbraw/zinc/68/92/12/656689212.db2.gz QKBONPCLNPJAOV-TZMCWYRMSA-N 1 0 386.242 1.903 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(S(N)(=O)=O)c(Br)c3)CC[C@@H]21 ZINC000877737335 656689905 /nfs/dbraw/zinc/68/99/05/656689905.db2.gz FNOFCAFPRBLBIG-JSGCOSHPSA-N 1 0 388.331 1.623 20 0 GDADRO CN1CC[NH+](C2CCN(Cc3cnn4cc(Br)cnc34)CC2)CC1 ZINC000877746327 656690441 /nfs/dbraw/zinc/69/04/41/656690441.db2.gz MRRMTWDTPPKHDQ-UHFFFAOYSA-N 1 0 393.333 1.704 20 0 GDADRO C[N@H+](CCO)CCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000925011851 656691250 /nfs/dbraw/zinc/69/12/50/656691250.db2.gz NLQXTBWJVMFWOZ-UHFFFAOYSA-N 1 0 381.527 1.474 20 0 GDADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000925143660 656695676 /nfs/dbraw/zinc/69/56/76/656695676.db2.gz RLKHVVYTDLRDEJ-HUUCEWRRSA-N 1 0 384.527 1.759 20 0 GDADRO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925215498 656701059 /nfs/dbraw/zinc/70/10/59/656701059.db2.gz QEFMELVFAWRICL-DYVFJYSZSA-N 1 0 385.555 1.034 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CC[NH+](C3CCCC3)CC2)cs1)C(N)=O ZINC000878136268 656708563 /nfs/dbraw/zinc/70/85/63/656708563.db2.gz VIXNAIGCAWDLSB-LBPRGKRZSA-N 1 0 382.555 1.738 20 0 GDADRO C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000925415554 656710626 /nfs/dbraw/zinc/71/06/26/656710626.db2.gz DSKCZVQOMNMFEQ-PXAZEXFGSA-N 1 0 376.469 1.822 20 0 GDADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(Br)n1 ZINC000925448774 656713178 /nfs/dbraw/zinc/71/31/78/656713178.db2.gz IMGUMXJAPUVICM-KGLIPLIRSA-N 1 0 397.317 1.428 20 0 GDADRO CC(C)(CN[C@@H]1C[NH2+]CCOC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000925505343 656714341 /nfs/dbraw/zinc/71/43/41/656714341.db2.gz RDTQEXLIYQLWQY-CYBMUJFWSA-N 1 0 391.331 1.579 20 0 GDADRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000925594472 656715347 /nfs/dbraw/zinc/71/53/47/656715347.db2.gz CWPTXYCJDHKDTG-UONOGXRCSA-N 1 0 377.551 1.797 20 0 GDADRO C[C@@H](CNC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)C[NH+]1CCCC1 ZINC000878313959 656718107 /nfs/dbraw/zinc/71/81/07/656718107.db2.gz NULAWGHVVHUPJM-UONOGXRCSA-N 1 0 385.555 1.436 20 0 GDADRO C[C@@]1(C(=O)NCCNc2cc[nH+]cc2)CC1(Br)Br ZINC000878337340 656719615 /nfs/dbraw/zinc/71/96/15/656719615.db2.gz JWGSLQQUUNWMFX-NSHDSACASA-N 1 0 377.080 1.928 20 0 GDADRO COC[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000925800703 656722190 /nfs/dbraw/zinc/72/21/90/656722190.db2.gz WKJSUDBTZUGQNZ-CABCVRRESA-N 1 0 380.432 1.759 20 0 GDADRO C[C@H](CNC(=O)Cc1csc(S[C@H](C)C(N)=O)n1)[NH+]1CCC(C)CC1 ZINC000878484738 656727112 /nfs/dbraw/zinc/72/71/12/656727112.db2.gz WYMJHYGPTKWFAI-CHWSQXEVSA-N 1 0 384.571 1.888 20 0 GDADRO C[NH+]1CCC(NC(=O)CN(CCO)Cc2cc(Br)cs2)CC1 ZINC000878509866 656729266 /nfs/dbraw/zinc/72/92/66/656729266.db2.gz XHFRRKSLOBXEEI-UHFFFAOYSA-N 1 0 390.347 1.515 20 0 GDADRO COCCO[C@H]1C[C@H](CO)C[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000878521793 656729946 /nfs/dbraw/zinc/72/99/46/656729946.db2.gz DOVABXLKRYUGCP-RRQGHBQHSA-N 1 0 388.302 1.828 20 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ZINC000878838835 656752442 /nfs/dbraw/zinc/75/24/42/656752442.db2.gz XTJLUFXETOOKQD-ZDUSSCGKSA-N 1 0 389.905 1.979 20 0 GDADRO CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000926414888 656753442 /nfs/dbraw/zinc/75/34/42/656753442.db2.gz MDXWVJKMRKLIOY-YMAMQOFZSA-N 1 0 375.535 1.693 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)CC2 ZINC000926440672 656755681 /nfs/dbraw/zinc/75/56/81/656755681.db2.gz VLJVDHIPVYVSKS-MLGOLLRUSA-N 1 0 394.313 1.838 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cs1)C(N)=O ZINC000878916069 656758617 /nfs/dbraw/zinc/75/86/17/656758617.db2.gz RUCKFSWPIOPPEV-KBPBESRZSA-N 1 0 384.571 1.840 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cs1)C(N)=O ZINC000878943031 656761847 /nfs/dbraw/zinc/76/18/47/656761847.db2.gz ATNPIXLEBBFMHQ-BNOWGMLFSA-N 1 0 384.571 1.983 20 0 GDADRO C[C@@H](NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)C(C)(C)C[NH+](C)C ZINC000878956322 656763196 /nfs/dbraw/zinc/76/31/96/656763196.db2.gz 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GDADRO COCCC[NH+]1CCC(NC(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000931628798 657112996 /nfs/dbraw/zinc/11/29/96/657112996.db2.gz REJHFMROEINGDC-UHFFFAOYSA-N 1 0 385.306 1.752 20 0 GDADRO COCC[N@H+](C)CCNC(=O)[C@](C)(O)c1ccc(F)c(Br)c1 ZINC000931627440 657113100 /nfs/dbraw/zinc/11/31/00/657113100.db2.gz OYGSCZASJXRHLK-OAHLLOKOSA-N 1 0 377.254 1.490 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000931671401 657119442 /nfs/dbraw/zinc/11/94/42/657119442.db2.gz GMCBIGCBLRATGV-ZDUSSCGKSA-N 1 0 397.321 1.422 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cnn(C)c1Br ZINC000882431921 657119702 /nfs/dbraw/zinc/11/97/02/657119702.db2.gz KFKVXCINUTXZET-NWDGAFQWSA-N 1 0 393.351 1.924 20 0 GDADRO OCC1([NH2+]CC2CC2)CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000882435697 657120176 /nfs/dbraw/zinc/12/01/76/657120176.db2.gz IFUBIHJVGABWCC-UHFFFAOYSA-N 1 0 381.278 1.218 20 0 GDADRO CC[N@@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000882478060 657130340 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1.531 20 0 GDADRO O=S1(=O)CCC(O)(C[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)CC1 ZINC000932624698 657204458 /nfs/dbraw/zinc/20/44/58/657204458.db2.gz QWYPOCQDKRSCDF-UHFFFAOYSA-N 1 0 384.567 1.826 20 0 GDADRO C[C@H](CNC(=O)c1cc(Br)c2nccnc2c1)N1CC[NH+](C)CC1 ZINC000932727738 657215146 /nfs/dbraw/zinc/21/51/46/657215146.db2.gz UUJRKLZIXIXFNB-GFCCVEGCSA-N 1 0 392.301 1.758 20 0 GDADRO O=C1CNC(=O)N1CC[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932808508 657223590 /nfs/dbraw/zinc/22/35/90/657223590.db2.gz GKRMOTLNPXDLJE-INIZCTEOSA-N 1 0 382.258 1.284 20 0 GDADRO O=C1NC[C@@H](O)CC12CC[NH+](CCOc1ccc(Br)cc1)CC2 ZINC000932842380 657227695 /nfs/dbraw/zinc/22/76/95/657227695.db2.gz WMWKOOIEQDDEMB-AWEZNQCLSA-N 1 0 383.286 1.791 20 0 GDADRO NS(=O)(=O)C[C@@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000932956788 657238440 /nfs/dbraw/zinc/23/84/40/657238440.db2.gz VKMLXYNMGWKWKA-SNVBAGLBSA-N 1 0 380.297 1.932 20 0 GDADRO COc1ncc(Br)c(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)n1 ZINC000882813080 657239472 /nfs/dbraw/zinc/23/94/72/657239472.db2.gz DWUVOWJXKBZQKD-UHFFFAOYSA-N 1 0 398.305 1.558 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)o1 ZINC000933259187 657266508 /nfs/dbraw/zinc/26/65/08/657266508.db2.gz BJLXAHNBACPVCS-LLVKDONJSA-N 1 0 375.878 1.671 20 0 GDADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCCOC1 ZINC000883179927 657276564 /nfs/dbraw/zinc/27/65/64/657276564.db2.gz NURXSEGCMKMDOG-XJKSGUPXSA-N 1 0 376.906 1.650 20 0 GDADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCCOC1 ZINC000883221124 657277905 /nfs/dbraw/zinc/27/79/05/657277905.db2.gz UYIPUYASWGSHKO-DOMZBBRYSA-N 1 0 378.441 1.274 20 0 GDADRO O=C1NCCn2c(C[NH2+][C@@H](Cc3ccccc3Br)C3CC3)nnc21 ZINC000883305229 657281280 /nfs/dbraw/zinc/28/12/80/657281280.db2.gz RMEYUKDDSBZJGE-AWEZNQCLSA-N 1 0 390.285 1.895 20 0 GDADRO Cn1ccn2c(C[NH2+][C@@H]3CCc4cc(Br)ccc4C3)nnc2c1=O ZINC000883333359 657282469 /nfs/dbraw/zinc/28/24/69/657282469.db2.gz RIQPHJFLRWYWNT-CQSZACIVSA-N 1 0 388.269 1.838 20 0 GDADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000883377409 657284636 /nfs/dbraw/zinc/28/46/36/657284636.db2.gz HIZSSASSJRRNIF-JSGCOSHPSA-N 1 0 387.299 1.869 20 0 GDADRO [NH3+]CCN(Cc1nnnn1-c1ccccc1Br)CC(F)(F)F ZINC000883445157 657287219 /nfs/dbraw/zinc/28/72/19/657287219.db2.gz KDLGOILXLQDHJU-UHFFFAOYSA-N 1 0 379.184 1.748 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)cc1OC ZINC000883471409 657289358 /nfs/dbraw/zinc/28/93/58/657289358.db2.gz KCBDXXPNEAQHBF-UHFFFAOYSA-N 1 0 376.784 1.869 20 0 GDADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000883471664 657289839 /nfs/dbraw/zinc/28/98/39/657289839.db2.gz UYWJNRDZYUTJGF-UHFFFAOYSA-N 1 0 393.309 1.699 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000883473891 657290359 /nfs/dbraw/zinc/29/03/59/657290359.db2.gz RZNVPMCXXXSGRV-LLVKDONJSA-N 1 0 380.919 1.506 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000883592564 657299705 /nfs/dbraw/zinc/29/97/05/657299705.db2.gz LQBVMOXJVSDIQM-OAHLLOKOSA-N 1 0 383.246 1.983 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000883661875 657304883 /nfs/dbraw/zinc/30/48/83/657304883.db2.gz UTSGJNJOQZHMCA-GWCFXTLKSA-N 1 0 386.315 1.679 20 0 GDADRO COCC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000884114912 657326348 /nfs/dbraw/zinc/32/63/48/657326348.db2.gz CXTBFMGPIMAJIR-HNNXBMFYSA-N 1 0 398.301 1.990 20 0 GDADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CCN(C)CC[N@H+](C)CC1 ZINC000933993573 657331377 /nfs/dbraw/zinc/33/13/77/657331377.db2.gz YCAMQWOROQRMFM-MRXNPFEDSA-N 1 0 384.318 1.842 20 0 GDADRO C[C@H](Sc1nc(CC(=O)NCc2ccc3c(c2)C[NH2+]C3)cs1)C(N)=O ZINC000884266507 657340929 /nfs/dbraw/zinc/34/09/29/657340929.db2.gz XENIJTOYFLBQDF-JTQLQIEISA-N 1 0 376.507 1.571 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1)C(N)=O ZINC000884301145 657343842 /nfs/dbraw/zinc/34/38/42/657343842.db2.gz PNFGYVLWAWNLCS-XQQFMLRXSA-N 1 0 382.555 1.500 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)O1 ZINC000884331815 657347134 /nfs/dbraw/zinc/34/71/34/657347134.db2.gz XOBYTUXGWIXXIB-IHRRRGAJSA-N 1 0 384.274 1.201 20 0 GDADRO COCC[C@H]([NH3+])C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000884334831 657347693 /nfs/dbraw/zinc/34/76/93/657347693.db2.gz CSXBQHVZIJGYBI-HNNXBMFYSA-N 1 0 388.281 1.596 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C[C@H]1C[NH3+] ZINC000884340019 657348847 /nfs/dbraw/zinc/34/88/47/657348847.db2.gz BTHSUGNQXRDXAG-HCKVZZMMSA-N 1 0 381.270 1.974 20 0 GDADRO [NH3+][C@@H](C(=O)N1CC[C@@H](Nc2ncccn2)C1)c1ccc(Br)cc1 ZINC000884373660 657350642 /nfs/dbraw/zinc/35/06/42/657350642.db2.gz TYUBJFAVRLWGGE-ZIAGYGMSSA-N 1 0 376.258 1.952 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N[C@@H]2CC[NH2+]C23CCCC3)cs1)C(N)=O ZINC000884376331 657351169 /nfs/dbraw/zinc/35/11/69/657351169.db2.gz FICYXWBQZHSTDQ-CHWSQXEVSA-N 1 0 382.555 1.833 20 0 GDADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCCSC[C@H]1C ZINC000934301956 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CC[C@@H](Sc1nc(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1)C(N)=O ZINC000884469946 657359663 /nfs/dbraw/zinc/35/96/63/657359663.db2.gz AKTKWUQIYGRVEI-GFQSEFKGSA-N 1 0 382.555 1.688 20 0 GDADRO CC(C)([NH3+])CCNC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000884495436 657361018 /nfs/dbraw/zinc/36/10/18/657361018.db2.gz VFCPDMNOSCUASF-UHFFFAOYSA-N 1 0 376.284 1.870 20 0 GDADRO C[C@](CO)([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000934493732 657362637 /nfs/dbraw/zinc/36/26/37/657362637.db2.gz DJXJLLSDPHDJLW-IUODEOHRSA-N 1 0 391.331 1.528 20 0 GDADRO CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000884533383 657363402 /nfs/dbraw/zinc/36/34/02/657363402.db2.gz GXAGIBCSWHMVBZ-NSHDSACASA-N 1 0 386.315 1.956 20 0 GDADRO Cc1nc(CCNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)sc1C ZINC000884568680 657364941 /nfs/dbraw/zinc/36/49/41/657364941.db2.gz RAVPZEKGKUPQAR-QWRGUYRKSA-N 1 0 378.420 1.014 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000884628309 657368370 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CCC([NH3+])(CC)CNC(=O)C(=O)NCCc1sccc1Br ZINC000884711923 657374502 /nfs/dbraw/zinc/37/45/02/657374502.db2.gz CJWQAQYOBAJNOU-UHFFFAOYSA-N 1 0 376.320 1.803 20 0 GDADRO O=C(NCc1ncc(Br)s1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000884725848 657376207 /nfs/dbraw/zinc/37/62/07/657376207.db2.gz AEIHVGMZSHXSQG-OPRDCNLKSA-N 1 0 387.303 1.026 20 0 GDADRO C[C@]1(CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@]1(F)Cl ZINC000884742888 657376759 /nfs/dbraw/zinc/37/67/59/657376759.db2.gz VGBZOGYEDVWOAK-NUTKFTJISA-N 1 0 375.872 1.082 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCc1sccc1Br ZINC000884790984 657379870 /nfs/dbraw/zinc/37/98/70/657379870.db2.gz CZPFEFOVBQHPDZ-LLVKDONJSA-N 1 0 376.320 1.659 20 0 GDADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884796842 657379925 /nfs/dbraw/zinc/37/99/25/657379925.db2.gz LNMBSPDLWKRDAO-SNVBAGLBSA-N 1 0 380.222 1.971 20 0 GDADRO C[N@H+](C[C@H](O)CN[C@H](CO)c1ccccc1I)C1CC1 ZINC000934828344 657381339 /nfs/dbraw/zinc/38/13/39/657381339.db2.gz OVVTUTNETWEOIE-IUODEOHRSA-N 1 0 390.265 1.369 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000884954870 657389801 /nfs/dbraw/zinc/38/98/01/657389801.db2.gz LDHFYVZAQLUIAY-QWHCGFSZSA-N 1 0 387.527 1.552 20 0 GDADRO Cc1ncc([C@H](C)NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000884961220 657390925 /nfs/dbraw/zinc/39/09/25/657390925.db2.gz JLNYWQKDWROWTH-LSJOCFKGSA-N 1 0 378.420 1.614 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(=O)[nH]cc1Br ZINC000935017928 657392718 /nfs/dbraw/zinc/39/27/18/657392718.db2.gz MUTMWLMJFJFZQX-SWHYSGLUSA-N 1 0 384.274 1.873 20 0 GDADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCCN(CCO)CC1 ZINC000885024022 657407385 /nfs/dbraw/zinc/40/73/85/657407385.db2.gz OTKLCNAUEVXNIO-UHFFFAOYSA-N 1 0 391.331 1.587 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCc2ncc(Br)s2)C1 ZINC000885030639 657410327 /nfs/dbraw/zinc/41/03/27/657410327.db2.gz DQTZWLJNTDLIOA-VIFPVBQESA-N 1 0 375.292 1.109 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000885108825 657421226 /nfs/dbraw/zinc/42/12/26/657421226.db2.gz ABTBRFGXADASTB-VIFPVBQESA-N 1 0 378.782 1.567 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000885109443 657421680 /nfs/dbraw/zinc/42/16/80/657421680.db2.gz RBLKQHPWJNGTSC-BDAKNGLRSA-N 1 0 378.782 1.566 20 0 GDADRO CCCN(C(=O)C(=O)NCCc1sccc1Br)[C@H]1CC[NH2+]C1 ZINC000885210112 657428746 /nfs/dbraw/zinc/42/87/46/657428746.db2.gz JPHARLVRDCQHPG-NSHDSACASA-N 1 0 388.331 1.770 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCc1sccc1Br ZINC000885210285 657429250 /nfs/dbraw/zinc/42/92/50/657429250.db2.gz PFJBXINWHVCRIM-JQWIXIFHSA-N 1 0 388.331 1.898 20 0 GDADRO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)c1csc(Cl)c1 ZINC000941786142 657553399 /nfs/dbraw/zinc/55/33/99/657553399.db2.gz IUUYRKZSBNMNNI-FMKGYKFTSA-N 1 0 385.917 1.697 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000885846989 657579198 /nfs/dbraw/zinc/57/91/98/657579198.db2.gz BZCFZDNEPKAUSJ-NSHDSACASA-N 1 0 382.467 1.224 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885889027 657584264 /nfs/dbraw/zinc/58/42/64/657584264.db2.gz VTKOOISAXMDGQU-LBPRGKRZSA-N 1 0 384.274 1.841 20 0 GDADRO C[N@H+](CC(=O)N1CCn2ncc(I)c2C1)CC(C)(C)C ZINC000886197438 657608706 /nfs/dbraw/zinc/60/87/06/657608706.db2.gz ZAVLZOHKOJSSRD-UHFFFAOYSA-N 1 0 390.269 1.808 20 0 GDADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCn2ncc(I)c2C1 ZINC000886198337 657609959 /nfs/dbraw/zinc/60/99/59/657609959.db2.gz GKGPFWOTRMEFJT-LBPRGKRZSA-N 1 0 386.237 1.457 20 0 GDADRO CC[C@@H](C(=O)N1CCn2ncc(I)c2C1)[NH+](CC)CC ZINC000886199976 657616495 /nfs/dbraw/zinc/61/64/95/657616495.db2.gz SDMUVUZEKNTFQM-LBPRGKRZSA-N 1 0 390.269 1.950 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)n2)C1 ZINC001000487409 657672282 /nfs/dbraw/zinc/67/22/82/657672282.db2.gz YVPAYFHPOBGOAZ-NMKXLXIOSA-N 1 0 382.917 2.000 20 0 GDADRO OCCOCC1(O)CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000886736910 657687038 /nfs/dbraw/zinc/68/70/38/657687038.db2.gz MYBVLVXVAPMDAO-ZDUSSCGKSA-N 1 0 394.295 1.569 20 0 GDADRO CC[NH2+]CCCNS(=O)(=O)c1ccc(OCCOC)c(Br)c1 ZINC000886882342 657715181 /nfs/dbraw/zinc/71/51/81/657715181.db2.gz OGGDSQYRNPLCAE-UHFFFAOYSA-N 1 0 395.319 1.752 20 0 GDADRO COCCOc1ccc(S(=O)(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1Br ZINC000886889104 657719098 /nfs/dbraw/zinc/71/90/98/657719098.db2.gz GKFFSNPKFCYSJI-XYPYZODXSA-N 1 0 393.303 1.490 20 0 GDADRO O=C1OCCN1c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886896529 657722495 /nfs/dbraw/zinc/72/24/95/657722495.db2.gz MMFCGHKFVVTAKM-LLVKDONJSA-N 1 0 375.397 1.166 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c(F)c1 ZINC000886897560 657724170 /nfs/dbraw/zinc/72/41/70/657724170.db2.gz AOTSGSVZKOLJPP-LLVKDONJSA-N 1 0 380.388 1.526 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886899965 657726362 /nfs/dbraw/zinc/72/63/62/657726362.db2.gz ZSMGRWUYNXYKQZ-QGZVFWFLSA-N 1 0 386.539 1.386 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3csc(Cl)c3)C2)CC[N@@H+]1C ZINC001023697082 657742693 /nfs/dbraw/zinc/74/26/93/657742693.db2.gz FDWSKXMNJJFYGN-REWJHTLYSA-N 1 0 385.917 1.433 20 0 GDADRO Cc1csc(Cl)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023972579 657745421 /nfs/dbraw/zinc/74/54/21/657745421.db2.gz WYVHOZWTOBPNMV-FDYHWXHSSA-N 1 0 385.917 1.352 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3sccc3Cl)C2)CC[N@@H+]1C ZINC001024102447 657746328 /nfs/dbraw/zinc/74/63/28/657746328.db2.gz JMAMMWLYOANTGN-IGHBBLSQSA-N 1 0 385.917 1.433 20 0 GDADRO [NH3+][C@H]1CCCN(Cc2cn(C[C@@H](O)c3ccc(Br)cc3)nn2)C1 ZINC000887425277 657781703 /nfs/dbraw/zinc/78/17/03/657781703.db2.gz SKOHPWCYWPSWPI-GOEBONIOSA-N 1 0 380.290 1.697 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887436625 657782531 /nfs/dbraw/zinc/78/25/31/657782531.db2.gz SCUYGFOTYSLWRG-LBPRGKRZSA-N 1 0 382.921 1.575 20 0 GDADRO Cc1ccc(I)cc1NC(=O)NCC[N@H+](C)CCO ZINC000887989185 657854181 /nfs/dbraw/zinc/85/41/81/657854181.db2.gz VPVOIEXVRJNISE-UHFFFAOYSA-N 1 0 377.226 1.645 20 0 GDADRO CN1CCN(C(=O)[C@]2(C)CC2(Br)Br)CC[N@H+](C)CC1 ZINC000888980788 657963924 /nfs/dbraw/zinc/96/39/24/657963924.db2.gz PQLYWCSCVNNYKD-LBPRGKRZSA-N 1 0 397.155 1.588 20 0 GDADRO CN1CCN(C(=O)COc2ccc(Br)cc2F)CC[N@H+](C)CC1 ZINC000888997845 657966393 /nfs/dbraw/zinc/96/63/93/657966393.db2.gz KJDZITIBVWKHMK-UHFFFAOYSA-N 1 0 388.281 1.673 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CCC23CC[NH+](C)CC3)sc1S(N)(=O)=O ZINC000889223064 657986126 /nfs/dbraw/zinc/98/61/26/657986126.db2.gz LJAQMWVFQYVGED-UHFFFAOYSA-N 1 0 377.919 1.668 20 0 GDADRO O=C(c1cc2c(cc1Br)OCO2)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889743760 658026048 /nfs/dbraw/zinc/02/60/48/658026048.db2.gz IETMRUXDFSKKJP-KBPBESRZSA-N 1 0 397.269 1.849 20 0 GDADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889754044 658031199 /nfs/dbraw/zinc/03/11/99/658031199.db2.gz BILBZCHPSSZKSP-LSDHHAIUSA-N 1 0 393.285 1.997 20 0 GDADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000889813182 658047987 /nfs/dbraw/zinc/04/79/87/658047987.db2.gz MBNWSKBTPBEVOD-BXKDBHETSA-N 1 0 383.290 1.990 20 0 GDADRO O=C(Nc1cccc(F)c1Br)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000889961168 658069799 /nfs/dbraw/zinc/06/97/99/658069799.db2.gz MKJBSFOVDPKIGD-NSHDSACASA-N 1 0 382.233 1.999 20 0 GDADRO Cn1cc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)c(I)n1 ZINC000890066650 658078080 /nfs/dbraw/zinc/07/80/80/658078080.db2.gz YJPAXJPIHFWRKL-UHFFFAOYSA-N 1 0 376.242 1.486 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)NCC[N@@H+]2CCC(C)(C)C2)cs1)C(N)=O ZINC000890066707 658078329 /nfs/dbraw/zinc/07/83/29/658078329.db2.gz ZFWJTQGGQLEQIL-ZDUSSCGKSA-N 1 0 384.571 1.890 20 0 GDADRO CC1(C)CC[N@H+](CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000890078415 658079048 /nfs/dbraw/zinc/07/90/48/658079048.db2.gz FUHJLELYJCZFOT-AWEZNQCLSA-N 1 0 385.555 1.749 20 0 GDADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cnn(C)c1I ZINC000890881524 658157352 /nfs/dbraw/zinc/15/73/52/658157352.db2.gz XXPZXODTUAJNAW-UHFFFAOYSA-N 1 0 378.258 1.685 20 0 GDADRO O=C(NCc1ccc(Br)cc1N1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891697127 658266381 /nfs/dbraw/zinc/26/63/81/658266381.db2.gz VTZNPNGGABEHLK-GJZGRUSLSA-N 1 0 395.301 1.541 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000891882117 658281030 /nfs/dbraw/zinc/28/10/30/658281030.db2.gz NIBFOEAAXSVPNO-SGANQWHYSA-N 1 0 375.583 1.713 20 0 GDADRO Cn1ncc(I)c1CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000892030200 658291804 /nfs/dbraw/zinc/29/18/04/658291804.db2.gz DNKJGRWFENLXRX-LBPRGKRZSA-N 1 0 399.236 1.524 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000892146210 658299253 /nfs/dbraw/zinc/29/92/53/658299253.db2.gz OEVNSVGJCXBBMM-CQSZACIVSA-N 1 0 383.290 1.540 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)C1 ZINC000892237294 658312583 /nfs/dbraw/zinc/31/25/83/658312583.db2.gz IKXNPBMOCQLSHA-NWDGAFQWSA-N 1 0 382.262 1.101 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CC(S(C)(=O)=O)C2)cc1 ZINC000892475515 658328169 /nfs/dbraw/zinc/32/81/69/658328169.db2.gz JWUZGUNICQOOGG-BZOOQXSSSA-N 1 0 388.555 1.943 20 0 GDADRO Cc1ccc(C[C@@H](CO)CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1Br ZINC000892549216 658332572 /nfs/dbraw/zinc/33/25/72/658332572.db2.gz PVLMHXVPNQNVMY-KFWWJZLASA-N 1 0 384.318 1.945 20 0 GDADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCN1CCN(C(C)=O)CC1 ZINC000892569841 658334282 /nfs/dbraw/zinc/33/42/82/658334282.db2.gz GXJKFCFPHGGWAY-UHFFFAOYSA-N 1 0 397.317 1.661 20 0 GDADRO CCn1c(CC[NH3+])nnc1Sc1nc(C)ncc1I ZINC000892786896 658349636 /nfs/dbraw/zinc/34/96/36/658349636.db2.gz XARZEDKFKUNBAZ-UHFFFAOYSA-N 1 0 390.254 1.653 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000893019007 658368415 /nfs/dbraw/zinc/36/84/15/658368415.db2.gz IHVPNUDYDGVJMX-DGCLKSJQSA-N 1 0 394.273 1.243 20 0 GDADRO COc1cccc(-c2csc(C[NH2+]CC3(O)CCS(=O)(=O)CC3)n2)c1 ZINC000893048136 658370984 /nfs/dbraw/zinc/37/09/84/658370984.db2.gz QONBXENZRQCECG-UHFFFAOYSA-N 1 0 382.507 1.848 20 0 GDADRO O=S(=O)(NCC[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(Cl)s1 ZINC000893179340 658383334 /nfs/dbraw/zinc/38/33/34/658383334.db2.gz PEERQMDCBFLRCH-WDEREUQCSA-N 1 0 398.909 1.903 20 0 GDADRO Cn1cc(Br)cc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000893429034 658404290 /nfs/dbraw/zinc/40/42/90/658404290.db2.gz JFZLVXUVXOHQIH-UHFFFAOYSA-N 1 0 397.317 1.734 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2ccc(Br)cc2)cn1 ZINC000893554083 658421417 /nfs/dbraw/zinc/42/14/17/658421417.db2.gz SSBYWMFFDXFUNW-UHFFFAOYSA-N 1 0 380.290 1.936 20 0 GDADRO C[C@H]1CCC[N@@H+]1CCNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000893579690 658424079 /nfs/dbraw/zinc/42/40/79/658424079.db2.gz GHFHFIXHDXXFFR-NSHDSACASA-N 1 0 386.440 1.084 20 0 GDADRO Cn1ncc(I)c1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000894002463 658488377 /nfs/dbraw/zinc/48/83/77/658488377.db2.gz PJBZUOKETNQHJY-GXTWGEPZSA-N 1 0 390.269 1.056 20 0 GDADRO CC[NH+](CC)CCN(CCOC)Cc1cn(C)nc1I ZINC000894004125 658488509 /nfs/dbraw/zinc/48/85/09/658488509.db2.gz YASHBQAFPKJIGB-UHFFFAOYSA-N 1 0 394.301 1.815 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)C1 ZINC000894264105 658531142 /nfs/dbraw/zinc/53/11/42/658531142.db2.gz UUKHKKRMZKHLKC-KBXIAJHMSA-N 1 0 375.535 1.597 20 0 GDADRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000894392013 658549850 /nfs/dbraw/zinc/54/98/50/658549850.db2.gz UBDGLDZMYGSJBJ-QLFBSQMISA-N 1 0 375.535 1.646 20 0 GDADRO OCC[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)C1CCOCC1 ZINC000894470893 658566095 /nfs/dbraw/zinc/56/60/95/658566095.db2.gz XDLWXIHGETZVNS-ZDUSSCGKSA-N 1 0 375.922 1.900 20 0 GDADRO CN(CC[N@H+](C)C[C@H]1C[C@@]1(C)Br)c1ccc(S(N)(=O)=O)cc1 ZINC000894689004 658598775 /nfs/dbraw/zinc/59/87/75/658598775.db2.gz ITECCIRVPWGHPV-IUODEOHRSA-N 1 0 390.347 1.876 20 0 GDADRO Cn1nc(Br)nc1C[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000894749192 658604786 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1.475 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2c[nH]nc2I)CCSC1 ZINC000896835933 658809302 /nfs/dbraw/zinc/80/93/02/658809302.db2.gz SZIIYVRTNLKGNP-LLVKDONJSA-N 1 0 380.255 1.181 20 0 GDADRO COC(=O)c1cnc(CC[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)s1 ZINC000896930594 658814517 /nfs/dbraw/zinc/81/45/17/658814517.db2.gz RCEGGLXBQDFUPU-NSHDSACASA-N 1 0 375.516 1.122 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897016048 658819146 /nfs/dbraw/zinc/81/91/46/658819146.db2.gz MTMNKKJDMGEYSS-KBPBESRZSA-N 1 0 399.285 1.026 20 0 GDADRO O=C1N[C@@H](C2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)CO1 ZINC000897021219 658819890 /nfs/dbraw/zinc/81/98/90/658819890.db2.gz WJVAFULNSFZFGP-CYBMUJFWSA-N 1 0 380.246 1.812 20 0 GDADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1Cl ZINC000897177055 658830778 /nfs/dbraw/zinc/83/07/78/658830778.db2.gz JBCJAFMOBQUTGB-CQSZACIVSA-N 1 0 388.917 1.741 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c[nH]nc1I ZINC000897321001 658842669 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CN(c1cccc(C[NH2+]Cc2cc(Br)nn2C)c1)S(C)(=O)=O ZINC000898283979 658922544 /nfs/dbraw/zinc/92/25/44/658922544.db2.gz GAUFQNRKBWXLPI-UHFFFAOYSA-N 1 0 387.303 1.868 20 0 GDADRO Brc1cnc2n1C[C@H]([NH2+]Cc1cn(C[C@@H]3CCOC3)nn1)CC2 ZINC000898719675 658951998 /nfs/dbraw/zinc/95/19/98/658951998.db2.gz HPPIIDFDTWDOJS-NWDGAFQWSA-N 1 0 381.278 1.378 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(CCNS(C)(=O)=O)s2)C12CCC2 ZINC000898843764 658961597 /nfs/dbraw/zinc/96/15/97/658961597.db2.gz AUSNUBQVEOVPMG-CABCVRRESA-N 1 0 385.555 1.442 20 0 GDADRO O=C(N[C@@H]1COc2cccc(Br)c2C1)C1C[NH+](C2CCOCC2)C1 ZINC000899182130 658992243 /nfs/dbraw/zinc/99/22/43/658992243.db2.gz SHFLTMLNMTXEET-ZDUSSCGKSA-N 1 0 395.297 1.980 20 0 GDADRO C[N@H+](CCO)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000899731556 659055932 /nfs/dbraw/zinc/05/59/32/659055932.db2.gz AJQNPUHCIFQPCF-OAHLLOKOSA-N 1 0 388.295 1.638 20 0 GDADRO Cc1cc(C)c(C(=O)NCC[N@H+](C)CCO)cc1I ZINC000899737264 659057308 /nfs/dbraw/zinc/05/73/08/659057308.db2.gz FEQPNAHFTMJLSA-UHFFFAOYSA-N 1 0 376.238 1.562 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cn1nc(Br)c(Br)n1 ZINC000900523610 659118405 /nfs/dbraw/zinc/11/84/05/659118405.db2.gz UDYHMDYEGKLVRB-MRVPVSSYSA-N 1 0 397.115 1.650 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc2ncc(Br)cn2n1 ZINC000900647256 659130997 /nfs/dbraw/zinc/13/09/97/659130997.db2.gz NYAIHCZIFCNMLM-UHFFFAOYSA-N 1 0 395.305 1.201 20 0 GDADRO CC(C)C[C@H](CNC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)[NH+](C)C ZINC000900683437 659136131 /nfs/dbraw/zinc/13/61/31/659136131.db2.gz ABSSIUUVGGZLDT-UKRRQHHQSA-N 1 0 387.571 1.680 20 0 GDADRO CCO[C@@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)C[NH+](C)C ZINC000900691533 659136784 /nfs/dbraw/zinc/13/67/84/659136784.db2.gz MHXGPBOPBPHTRQ-LBPRGKRZSA-N 1 0 383.543 1.768 20 0 GDADRO CCN(C(=O)CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000900697609 659138142 /nfs/dbraw/zinc/13/81/42/659138142.db2.gz AQYZIDSZAOWHBW-KRWDZBQOSA-N 1 0 375.579 1.464 20 0 GDADRO Cn1cc(I)c(C(=O)N2CCC(CC[NH+](C)C)CC2)n1 ZINC000900695898 659138238 /nfs/dbraw/zinc/13/82/38/659138238.db2.gz SGWYTQGTCGBYRS-UHFFFAOYSA-N 1 0 390.269 1.829 20 0 GDADRO C[C@@H](NC(=O)CCOc1ccccc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000900804377 659147604 /nfs/dbraw/zinc/14/76/04/659147604.db2.gz MDOYELWPUJBUAF-HIFRSBDPSA-N 1 0 384.318 1.969 20 0 GDADRO C[C@H](NC(=O)CCOc1cccc(Br)c1)[C@H]1C[N@H+](C)CCN1C ZINC000900805481 659147621 /nfs/dbraw/zinc/14/76/21/659147621.db2.gz PRCUSBVKLGZGCF-XJKSGUPXSA-N 1 0 384.318 1.969 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)C1 ZINC000900880978 659156099 /nfs/dbraw/zinc/15/60/99/659156099.db2.gz LOHXALLWUHYUIF-AWEZNQCLSA-N 1 0 385.555 1.616 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1ccnc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000900980697 659176430 /nfs/dbraw/zinc/17/64/30/659176430.db2.gz NUFPETRWKQVTIO-LLVKDONJSA-N 1 0 394.324 1.969 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000900993085 659177859 /nfs/dbraw/zinc/17/78/59/659177859.db2.gz GRHYLTHMJLNSGK-GFCCVEGCSA-N 1 0 391.299 1.591 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)Nc1ccncc1I ZINC000901039174 659182194 /nfs/dbraw/zinc/18/21/94/659182194.db2.gz HFVTWNWUCXGLLU-UHFFFAOYSA-N 1 0 385.209 1.119 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000901057902 659184502 /nfs/dbraw/zinc/18/45/02/659184502.db2.gz RROLRKZOFCJGBP-UHFFFAOYSA-N 1 0 396.289 1.457 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000901162258 659198669 /nfs/dbraw/zinc/19/86/69/659198669.db2.gz LOIZXWCENRBINZ-YRGRVCCFSA-N 1 0 385.306 1.989 20 0 GDADRO CC[N@@H+]1CCN(C(=O)Cn2nc(Br)c(Br)n2)C[C@@H]1C ZINC000901197061 659201536 /nfs/dbraw/zinc/20/15/36/659201536.db2.gz CICTWHMOUKSUKU-QMMMGPOBSA-N 1 0 395.099 1.356 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000901228030 659204143 /nfs/dbraw/zinc/20/41/43/659204143.db2.gz LHJAYIYJFQZAOG-MRXNPFEDSA-N 1 0 385.302 1.788 20 0 GDADRO O=C(N1CCNC(=O)[C@H]1c1ccccc1Br)C12CC[NH+](CC1)C2 ZINC000901282218 659208055 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CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)CN1Cc1ccccc1 ZINC000903227800 659306566 /nfs/dbraw/zinc/30/65/66/659306566.db2.gz VJUBUIWHJXQYJZ-MRXNPFEDSA-N 1 0 387.571 1.687 20 0 GDADRO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC2)C1 ZINC000903230095 659308425 /nfs/dbraw/zinc/30/84/25/659308425.db2.gz VIFRFDOXJOQZNB-GDBMZVCRSA-N 1 0 379.592 1.677 20 0 GDADRO CCOC(=O)NC1CCC([NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000903235140 659309551 /nfs/dbraw/zinc/30/95/51/659309551.db2.gz RUHZDUFIULZLPC-LMPOIIKSSA-N 1 0 375.535 1.741 20 0 GDADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1ccc(I)s1 ZINC000903510599 659321196 /nfs/dbraw/zinc/32/11/96/659321196.db2.gz YHYDAJMWPWPMID-QMMMGPOBSA-N 1 0 398.291 1.916 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)C[C@@H]1C(F)(F)F ZINC000903515490 659324321 /nfs/dbraw/zinc/32/43/21/659324321.db2.gz PIPLTCOFUHJMED-XVKPBYJWSA-N 1 0 382.795 1.974 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000903530087 659330768 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398.291 1.855 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000903583066 659353197 /nfs/dbraw/zinc/35/31/97/659353197.db2.gz BHCXAONCNYIVCJ-YGRLFVJLSA-N 1 0 377.388 1.689 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)ccc1Cl ZINC000903593410 659357087 /nfs/dbraw/zinc/35/70/87/659357087.db2.gz MMQMGNLEPRDWTJ-CQSZACIVSA-N 1 0 378.903 1.260 20 0 GDADRO Cc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903742451 659378427 /nfs/dbraw/zinc/37/84/27/659378427.db2.gz OTDHAMXWNYJFLE-FBIMIBRVSA-N 1 0 378.420 1.627 20 0 GDADRO CCN(CCc1nccs1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903754543 659379047 /nfs/dbraw/zinc/37/90/47/659379047.db2.gz KIQCDPFVIZCCSN-QWRGUYRKSA-N 1 0 378.420 1.272 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903756244 659379157 /nfs/dbraw/zinc/37/91/57/659379157.db2.gz KRHUANKBRZOCJZ-CYBMUJFWSA-N 1 0 386.265 1.742 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)c1cccc(Br)c1 ZINC000903791652 659380715 /nfs/dbraw/zinc/38/07/15/659380715.db2.gz IXYHIZMYHJZDEC-ZIAGYGMSSA-N 1 0 398.301 1.449 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCc2ccc(Br)c(F)c2C1 ZINC000903793531 659381126 /nfs/dbraw/zinc/38/11/26/659381126.db2.gz YSDSDZANFMVCOF-UHFFFAOYSA-N 1 0 396.260 1.423 20 0 GDADRO CN(Cc1cc(=O)n2cc(Br)ccc2n1)C1(C[NH3+])CCOCC1 ZINC000903805362 659382004 /nfs/dbraw/zinc/38/20/04/659382004.db2.gz MWLVSJCQHXRWSA-UHFFFAOYSA-N 1 0 381.274 1.397 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000903881806 659388116 /nfs/dbraw/zinc/38/81/16/659388116.db2.gz IYFLFOZRNXJIQS-ZIAGYGMSSA-N 1 0 377.254 1.248 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000903967846 659390213 /nfs/dbraw/zinc/39/02/13/659390213.db2.gz FSISEURGQVFJBP-ZDUSSCGKSA-N 1 0 398.326 1.864 20 0 GDADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1Cl ZINC000903969652 659391205 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CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905001408 659416182 /nfs/dbraw/zinc/41/61/82/659416182.db2.gz OLZKTYYRLLZLBM-SUMWQHHRSA-N 1 0 380.286 1.747 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905001287 659416210 /nfs/dbraw/zinc/41/62/10/659416210.db2.gz OLZKTYYRLLZLBM-CXAGYDPISA-N 1 0 380.286 1.747 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905006547 659416786 /nfs/dbraw/zinc/41/67/86/659416786.db2.gz IWBCPVFIJGFJNO-BONVTDFDSA-N 1 0 386.315 1.809 20 0 GDADRO CN(C)[C@]1(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCSC1 ZINC000905146067 659427127 /nfs/dbraw/zinc/42/71/27/659427127.db2.gz FBPADJBKACTMHF-ZBFHGGJFSA-N 1 0 393.619 1.015 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)CC2(O)CCCC2)c(C)s1 ZINC000905174647 659429744 /nfs/dbraw/zinc/42/97/44/659429744.db2.gz FHBFAVHHEBHWOF-CQSZACIVSA-N 1 0 376.544 1.289 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000905203165 659432630 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COCC1(CC[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCC1 ZINC000905268124 659438719 /nfs/dbraw/zinc/43/87/19/659438719.db2.gz NUOULRGVWOSEEL-HNNXBMFYSA-N 1 0 376.563 1.784 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC2(CCO)CCCC2)CCC1 ZINC000905364980 659447895 /nfs/dbraw/zinc/44/78/95/659447895.db2.gz MUJYVDOQKDELSS-OAHLLOKOSA-N 1 0 376.563 1.520 20 0 GDADRO O[C@H](C[NH2+]CCc1ccc(I)cc1)C[C@]1(O)CCOC1 ZINC000905380783 659450100 /nfs/dbraw/zinc/45/01/00/659450100.db2.gz JLGMGNJYKCWYFN-LSDHHAIUSA-N 1 0 391.249 1.326 20 0 GDADRO O=C1COC[C@]2(C[NH2+]C[C@H](O)c3ccc(Cl)c(Cl)c3)COCCN12 ZINC000905407595 659451111 /nfs/dbraw/zinc/45/11/11/659451111.db2.gz DMZGOHAPGJGLQE-HOCLYGCPSA-N 1 0 375.252 1.244 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC[C@H](O)C2CCCC2)CCC1 ZINC000905406711 659451140 /nfs/dbraw/zinc/45/11/40/659451140.db2.gz BHDKSKPIYZPLTD-HOTGVXAUSA-N 1 0 376.563 1.519 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905406961 659451251 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384.484 1.817 20 0 GDADRO COc1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc2c1ccn2C ZINC001164747548 720592572 /nfs/dbraw/zinc/59/25/72/720592572.db2.gz ZMTOGBKMHDSFAI-UHFFFAOYSA-N 1 0 381.484 1.832 20 0 GDADRO COC(=O)c1ncnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1OC ZINC001164744297 720596370 /nfs/dbraw/zinc/59/63/70/720596370.db2.gz RILAUKJVMSINNM-UHFFFAOYSA-N 1 0 386.456 1.127 20 0 GDADRO Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1NCC1CC1 ZINC001164741580 720602211 /nfs/dbraw/zinc/60/22/11/720602211.db2.gz LPYZXIUNNARCTE-SJORKVTESA-N 1 0 381.484 1.739 20 0 GDADRO COC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740266 720615368 /nfs/dbraw/zinc/61/53/68/720615368.db2.gz IJCDVTSQNSVKJA-NEPJUHHUSA-N 1 0 390.831 1.049 20 0 GDADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C)c1 ZINC001164738865 720662594 /nfs/dbraw/zinc/66/25/94/720662594.db2.gz LAOMCRNCYBOSKF-SJORKVTESA-N 1 0 383.452 1.699 20 0 GDADRO Clc1nc2cnccc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 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YPGRZLZMSBALJS-NEPJUHHUSA-N 1 0 390.831 1.049 20 0 GDADRO CCOC(=O)Cc1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164746737 720804237 /nfs/dbraw/zinc/80/42/37/720804237.db2.gz MWQJBNWCWNNTKQ-SJORKVTESA-N 1 0 383.452 1.319 20 0 GDADRO c1csc(-c2nccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)n1 ZINC001164748169 720804639 /nfs/dbraw/zinc/80/46/39/720804639.db2.gz PTWCBUMHTSVJII-KGLIPLIRSA-N 1 0 381.465 1.732 20 0 GDADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c4CCC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741401 720814370 /nfs/dbraw/zinc/81/43/70/720814370.db2.gz BGGCITNJONHENB-FUHIMQAGSA-N 1 0 379.512 1.936 20 0 GDADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164855279 720835251 /nfs/dbraw/zinc/83/52/51/720835251.db2.gz TUEHOPISOTVOSV-MGBKSAOESA-N 1 0 389.496 1.831 20 0 GDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc(-c4cccnc4F)n3)CC[C@@H]2C1 ZINC001164853552 720866269 /nfs/dbraw/zinc/86/62/69/720866269.db2.gz HGZCTNKQRNBWIU-QAPCUYQASA-N 1 0 387.459 1.851 20 0 GDADRO 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ZINC001571271785 945650912 /nfs/dbraw/zinc/65/09/12/945650912.db2.gz JRMJOYAQHRAWGQ-QGZVFWFLSA-N 1 0 386.485 1.397 20 0 GDADRO Cc1cnc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](C)C2)s1 ZINC001571271840 945651823 /nfs/dbraw/zinc/65/18/23/945651823.db2.gz KXGZJTYANWZJFD-GWCFXTLKSA-N 1 0 386.485 1.743 20 0 GDADRO Cc1cnn(C)c1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272067 945653498 /nfs/dbraw/zinc/65/34/98/945653498.db2.gz OFRAXJKVXPRPHN-GFCCVEGCSA-N 1 0 386.485 1.222 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)sc1C ZINC001571272061 945653600 /nfs/dbraw/zinc/65/36/00/945653600.db2.gz OANTYGBMUYIVFJ-YMTOWFKASA-N 1 0 386.485 1.518 20 0 GDADRO C[N@@H+](Cc1cncs1)C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571272048 945654425 /nfs/dbraw/zinc/65/44/25/945654425.db2.gz NPUZVHJRZOUKPY-GFCCVEGCSA-N 1 0 386.485 1.636 20 0 GDADRO CCn1ccnc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571272497 945663633 /nfs/dbraw/zinc/66/36/33/945663633.db2.gz UXTBWEMKVGAJFB-LBPRGKRZSA-N 1 0 386.485 1.539 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]1C[NH2+]Cc1ccncc1Cl ZINC001571274097 945692026 /nfs/dbraw/zinc/69/20/26/945692026.db2.gz AWHXXDIKQLOXNY-GFCCVEGCSA-N 1 0 386.847 1.638 20 0 GDADRO Cc1[nH]nc(Cl)c1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571274845 945701545 /nfs/dbraw/zinc/70/15/45/945701545.db2.gz LUCZHZNBFLZDLP-ZDUSSCGKSA-N 1 0 386.847 1.556 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@H](C)CO3)C2)cc1-c1nn[nH]n1 ZINC001571275817 945716985 /nfs/dbraw/zinc/71/69/85/945716985.db2.gz CYJGZWZKGQNTCV-PLNCSYRRSA-N 1 0 386.456 1.037 20 0 GDADRO CCc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)no1 ZINC001571281183 945800025 /nfs/dbraw/zinc/80/00/25/945800025.db2.gz FAAPQMIEFNMOLW-XYPYZODXSA-N 1 0 387.469 1.777 20 0 GDADRO CCc1noc(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281251 945800102 /nfs/dbraw/zinc/80/01/02/945800102.db2.gz GCOMPEXXCZRSRU-PHIMTYICSA-N 1 0 387.469 1.838 20 0 GDADRO CC1(C)C[N@H+](C[C@H]2CCCOC2)CC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571281186 945802089 /nfs/dbraw/zinc/80/20/89/945802089.db2.gz FADLSKCERAAMQT-CZUORRHYSA-N 1 0 387.488 1.452 20 0 GDADRO CCc1ocnc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1C ZINC001571281368 945803551 /nfs/dbraw/zinc/80/35/51/945803551.db2.gz HEXPISZURUKCPD-WDEREUQCSA-N 1 0 387.469 1.871 20 0 GDADRO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nn[nH]n3)C2)CC1 ZINC001571282513 945847314 /nfs/dbraw/zinc/84/73/14/945847314.db2.gz JHJSHZZMNBIKNL-CQSZACIVSA-N 1 0 387.463 1.433 20 0 GDADRO O=C(c1ccsn1)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282645 945856007 /nfs/dbraw/zinc/85/60/07/945856007.db2.gz MYBSMUPHJZNAPR-LLVKDONJSA-N 1 0 387.444 1.714 20 0 GDADRO CC(=O)N1C[C@@H](c2ccccc2F)[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573453813 945866490 /nfs/dbraw/zinc/86/64/90/945866490.db2.gz QSZAOTNCHIVHMO-MAUKXSAKSA-N 1 0 381.415 1.558 20 0 GDADRO CC(=O)N[C@](C)(C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573456609 945892910 /nfs/dbraw/zinc/89/29/10/945892910.db2.gz NBPVHPVUOOEAMB-DJJJIMSYSA-N 1 0 387.488 1.012 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571283897 945894528 /nfs/dbraw/zinc/89/45/28/945894528.db2.gz KNYLLUYYZWYXDV-HZPDHXFCSA-N 1 0 387.488 1.642 20 0 GDADRO COC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001571284152 945897418 /nfs/dbraw/zinc/89/74/18/945897418.db2.gz MAGDHSMUDPBKSS-AUUYWEPGSA-N 1 0 387.488 1.548 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](CC2CCCCCC2)C[C@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571284551 945902519 /nfs/dbraw/zinc/90/25/19/945902519.db2.gz QVEDOXRQYWOWIB-DOTOQJQBSA-N 1 0 387.488 1.330 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571284876 945905518 /nfs/dbraw/zinc/90/55/18/945905518.db2.gz VMHNDXMCHCHUHH-GXFFZTMASA-N 1 0 387.831 1.758 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571284878 945908138 /nfs/dbraw/zinc/90/81/38/945908138.db2.gz VMHNDXMCHCHUHH-ZWNOBZJWSA-N 1 0 387.831 1.758 20 0 GDADRO CCO[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287866 945980014 /nfs/dbraw/zinc/98/00/14/945980014.db2.gz JYZBPVLCWYDKAK-GKLJAUDBSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@H]1C[C@H](C(=O)NC2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CO1 ZINC001571288143 945982882 /nfs/dbraw/zinc/98/28/82/945982882.db2.gz MOPZOKHULQQEOL-WFASDCNBSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(CC1(O)CCC1)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571288374 945986300 /nfs/dbraw/zinc/98/63/00/945986300.db2.gz OVNPJMBVJKRWGC-AWEZNQCLSA-N 1 0 388.447 1.392 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CCCCO1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571289145 945995285 /nfs/dbraw/zinc/99/52/85/945995285.db2.gz VVIFCNHRCATLID-SJKOYZFVSA-N 1 0 388.447 1.511 20 0 GDADRO CCO[C@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288963 945995547 /nfs/dbraw/zinc/99/55/47/945995547.db2.gz VLAGVWJKTFBGGD-WBVHZDCISA-N 1 0 388.447 1.511 20 0 GDADRO O=C([C@@H]1CCCOC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571289212 945998441 /nfs/dbraw/zinc/99/84/41/945998441.db2.gz XIVZHZXVRGFADY-HUUCEWRRSA-N 1 0 388.447 1.513 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)OC ZINC001571289534 946009069 /nfs/dbraw/zinc/00/90/69/946009069.db2.gz GXLRMIXYBUKKDL-XJKSGUPXSA-N 1 0 388.472 1.381 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571289768 946017490 /nfs/dbraw/zinc/01/74/90/946017490.db2.gz MBROPPAWPVEBTP-CXKPUVAFSA-N 1 0 388.497 1.338 20 0 GDADRO Cc1sc(NC(=O)CN2CCC[C@@H]([NH2+]C(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822557966 946126175 /nfs/dbraw/zinc/12/61/75/946126175.db2.gz LAKZEQUMZAOXAD-CYBMUJFWSA-N 1 0 377.518 1.946 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573478521 946146982 /nfs/dbraw/zinc/14/69/82/946146982.db2.gz XBSCWGKKLSTPEO-BLLLJJGKSA-N 1 0 387.488 1.012 20 0 GDADRO Cn1cc(C[C@H]2CC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC000822674272 946152361 /nfs/dbraw/zinc/15/23/61/946152361.db2.gz PIAODEPGFUJRHL-CQSZACIVSA-N 1 0 380.456 1.493 20 0 GDADRO O=C(c1ncc(Cl)s1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571295301 946158644 /nfs/dbraw/zinc/15/86/44/946158644.db2.gz XDSZRDBKAGJNOP-NSHDSACASA-N 1 0 389.872 1.981 20 0 GDADRO O=C([C@@H]1C[C@H]1c1ccncc1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571295462 946164029 /nfs/dbraw/zinc/16/40/29/946164029.db2.gz UCJUBOOEETVHMU-NZSAHSFTSA-N 1 0 389.463 1.756 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)cn1 ZINC001571295628 946169476 /nfs/dbraw/zinc/16/94/76/946169476.db2.gz ZWWKMSZGVOQEPJ-RBUKOAKNSA-N 1 0 389.463 1.917 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1Cc2ccccc2O1 ZINC001571296367 946191895 /nfs/dbraw/zinc/19/18/95/946191895.db2.gz VWHGUAQTPKMLMM-JTDSTZFVSA-N 1 0 390.447 1.607 20 0 GDADRO CO[C@@H](C)C(=O)N1CCC(C[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571297831 946198817 /nfs/dbraw/zinc/19/88/17/946198817.db2.gz AOGXSYZMWKLNML-ZDUSSCGKSA-N 1 0 390.463 1.711 20 0 GDADRO O=C(N[C@]12CCC[C@H]1C[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2)c1ccnnc1 ZINC001571298475 946218053 /nfs/dbraw/zinc/21/80/53/946218053.db2.gz OVJPWALEMYQULO-PXNSSMCTSA-N 1 0 390.451 1.441 20 0 GDADRO CO[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C(C)C ZINC001571298501 946219093 /nfs/dbraw/zinc/21/90/93/946219093.db2.gz PLUVKZNPALVDMT-YOEHRIQHSA-N 1 0 390.463 1.757 20 0 GDADRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001571298598 946220561 /nfs/dbraw/zinc/22/05/61/946220561.db2.gz BJUUSYFCXVYYRP-KSSFIOAISA-N 1 0 390.513 1.681 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CCN(c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571298586 946221326 /nfs/dbraw/zinc/22/13/26/946221326.db2.gz BJHNTEKMRVHLHN-CXAGYDPISA-N 1 0 390.879 1.094 20 0 GDADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC001571298745 946226232 /nfs/dbraw/zinc/22/62/32/946226232.db2.gz CVRYPQVVZCBEBQ-INIZCTEOSA-N 1 0 390.513 1.942 20 0 GDADRO Cc1cnccc1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@]2(C)C1 ZINC001571299004 946234811 /nfs/dbraw/zinc/23/48/11/946234811.db2.gz NGCXEHDNAHQYAR-VLIAUNLRSA-N 1 0 390.451 1.564 20 0 GDADRO O=C(NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)c1ccnc(C2CC2)c1 ZINC001571299304 946245609 /nfs/dbraw/zinc/24/56/09/946245609.db2.gz VYTYNFZFCDQFDG-UHFFFAOYSA-N 1 0 390.451 1.933 20 0 GDADRO Cc1nsc(NC2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1-c1nn[nH]n1 ZINC001571299376 946247917 /nfs/dbraw/zinc/24/79/17/946247917.db2.gz LUEDSEVKAXNSRQ-HIFPTAJRSA-N 1 0 390.517 1.375 20 0 GDADRO O=C(N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCc2cccnc21 ZINC001571299441 946250736 /nfs/dbraw/zinc/25/07/36/946250736.db2.gz WIMCFSUPGAODIM-BPLDGKMQSA-N 1 0 390.451 1.115 20 0 GDADRO C[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571299893 946264514 /nfs/dbraw/zinc/26/45/14/946264514.db2.gz QGDQUNQHXIQOMO-LDYMZIIASA-N 1 0 390.860 1.366 20 0 GDADRO C[C@H](C(=O)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1)C(C)(F)F ZINC001571302348 946299301 /nfs/dbraw/zinc/29/93/01/946299301.db2.gz VMKVYLBLLVGRCI-KZULUSFZSA-N 1 0 391.426 1.982 20 0 GDADRO O=C(c1ccc2c(c1)COC2)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571302720 946313496 /nfs/dbraw/zinc/31/34/96/946313496.db2.gz AAAGFLWFQKQWFL-INIZCTEOSA-N 1 0 391.435 1.431 20 0 GDADRO O=C(NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1COc2ccccc21 ZINC001571302950 946321756 /nfs/dbraw/zinc/32/17/56/946321756.db2.gz FKBUSHNSVBXXEP-MRXNPFEDSA-N 1 0 391.435 1.523 20 0 GDADRO Cc1cnc(C(=O)N[C@H]2CC23CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC3)cn1 ZINC001571303116 946326804 /nfs/dbraw/zinc/32/68/04/946326804.db2.gz MBXIQDOHDAUALU-INIZCTEOSA-N 1 0 391.439 1.149 20 0 GDADRO O=C(CCc1cccnc1)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571306338 946396127 /nfs/dbraw/zinc/39/61/27/946396127.db2.gz SUQDGRLVZREJLG-GOSISDBHSA-N 1 0 391.479 1.833 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@H]1CCCN1C(=O)Cc1cccnc1 ZINC001571306419 946399773 /nfs/dbraw/zinc/39/97/73/946399773.db2.gz KOTOVOPOFGMWNS-GOSISDBHSA-N 1 0 391.479 1.927 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CC(F)(F)C3)C2)cc1-c1nn[nH]n1 ZINC001571307271 946420844 /nfs/dbraw/zinc/42/08/44/946420844.db2.gz BYHWSYCZBHHNFG-BETUJISGSA-N 1 0 392.410 1.657 20 0 GDADRO CN(C(=O)[C@]1(F)CCOC1)C1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571307258 946420879 /nfs/dbraw/zinc/42/08/79/946420879.db2.gz BGTWQBOFFRYEJI-JRSKDTKFSA-N 1 0 392.410 1.213 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CC1(F)F ZINC001571308076 946428989 /nfs/dbraw/zinc/42/89/89/946428989.db2.gz LMRZCHUDXIOGDO-NGFQHRJXSA-N 1 0 392.385 1.883 20 0 GDADRO C[C@@H](NC(=O)c1cnccn1)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571310356 946467779 /nfs/dbraw/zinc/46/77/79/946467779.db2.gz CSWOCUJHBCNSAC-CABCVRRESA-N 1 0 392.467 1.687 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC001571314729 946541965 /nfs/dbraw/zinc/54/19/65/946541965.db2.gz BJTXZHZCBKQGMK-INIZCTEOSA-N 1 0 392.467 1.559 20 0 GDADRO Cc1cc(C(=O)NC2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ncn1 ZINC001571314719 946542798 /nfs/dbraw/zinc/54/27/98/946542798.db2.gz BBPBJFJXJVJRRY-UHFFFAOYSA-N 1 0 392.467 1.750 20 0 GDADRO Cc1cc(C)nc(C(=O)NC[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571314760 946544552 /nfs/dbraw/zinc/54/45/52/946544552.db2.gz CFUCZYIPXJWSDX-OAHLLOKOSA-N 1 0 392.467 1.920 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)C[C@H](C)c3ccncc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314886 946544889 /nfs/dbraw/zinc/54/48/89/946544889.db2.gz CTXPCOVATVQYRP-BBRMVZONSA-N 1 0 392.467 1.594 20 0 GDADRO Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)c3ccc(C)c(C)n3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314898 946545690 /nfs/dbraw/zinc/54/56/90/946545690.db2.gz DABSOOCBOSEOSG-HIFRSBDPSA-N 1 0 392.467 1.719 20 0 GDADRO Cc1ccc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)nn1 ZINC001571315174 946548590 /nfs/dbraw/zinc/54/85/90/946548590.db2.gz HAGNXNZWTHVNFB-INIZCTEOSA-N 1 0 392.467 1.750 20 0 GDADRO Cc1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)nn1 ZINC001571315606 946554740 /nfs/dbraw/zinc/55/47/40/946554740.db2.gz MECMQCDFIMHHLT-HXUWFJFHSA-N 1 0 392.467 1.668 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3cc4n(c3)CCCC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315829 946560260 /nfs/dbraw/zinc/56/02/60/946560260.db2.gz PADXWDACTFKVSA-HNNXBMFYSA-N 1 0 392.467 1.456 20 0 GDADRO Cc1ccnn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571316349 946574381 /nfs/dbraw/zinc/57/43/81/946574381.db2.gz AJJUDVROPNGIOE-KURKYZTESA-N 1 0 392.467 1.293 20 0 GDADRO Cc1ccnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001571316462 946577176 /nfs/dbraw/zinc/57/71/76/946577176.db2.gz CYCYZCVLMKRUGQ-IAGOWNOFSA-N 1 0 392.467 1.796 20 0 GDADRO Cc1ncncc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571316544 946579623 /nfs/dbraw/zinc/57/96/23/946579623.db2.gz FXIAZZHOXMSMEW-SUMWQHHRSA-N 1 0 392.467 1.748 20 0 GDADRO Cc1nnccc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316752 946586737 /nfs/dbraw/zinc/58/67/37/946586737.db2.gz LMEIMOKXHYHKBR-GUYCJALGSA-N 1 0 392.467 1.748 20 0 GDADRO Cc1ccncc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571316797 946589314 /nfs/dbraw/zinc/58/93/14/946589314.db2.gz MTWVNNLGNFGDJI-ZWKOTPCHSA-N 1 0 392.467 1.777 20 0 GDADRO C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571317476 946611130 /nfs/dbraw/zinc/61/11/30/946611130.db2.gz JGCMIDDRQLKRCW-QWHCGFSZSA-N 1 0 392.529 1.663 20 0 GDADRO O=C(c1cc2n(c1)CCCC2)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571317615 946615984 /nfs/dbraw/zinc/61/59/84/946615984.db2.gz OJCFZUPCHXLUHU-MRXNPFEDSA-N 1 0 392.467 1.538 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCn2cncc2C1 ZINC001571317860 946624366 /nfs/dbraw/zinc/62/43/66/946624366.db2.gz XRHPFKHWLYDYLG-CWRNSKLLSA-N 1 0 392.467 1.063 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@](C)=O)cc1 ZINC000824563848 946802438 /nfs/dbraw/zinc/80/24/38/946802438.db2.gz QRAZZEKNXILKIV-QYSRSOONSA-N 1 0 398.492 1.571 20 0 GDADRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001573546564 946812592 /nfs/dbraw/zinc/81/25/92/946812592.db2.gz FMAFYDKLYNVFRE-NSHDSACASA-N 1 0 382.428 1.061 20 0 GDADRO C[C@](O)(C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccco1 ZINC000824670589 946890925 /nfs/dbraw/zinc/89/09/25/946890925.db2.gz RWPRXQZUBGWVQB-FQEVSTJZSA-N 1 0 382.468 1.921 20 0 GDADRO C[C@@H]1COc2ccccc2C[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825006916 947039767 /nfs/dbraw/zinc/03/97/67/947039767.db2.gz SNDISLQVWQKINI-RHSMWYFYSA-N 1 0 381.436 1.890 20 0 GDADRO C[C@H](CNc1nccnc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573585958 947275029 /nfs/dbraw/zinc/27/50/29/947275029.db2.gz KCMIKTVIUFQSCL-KGLIPLIRSA-N 1 0 387.492 1.180 20 0 GDADRO CCc1cnccc1[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825740356 947310379 /nfs/dbraw/zinc/31/03/79/947310379.db2.gz STKDNHYAHHNRME-ZDUSSCGKSA-N 1 0 386.481 1.949 20 0 GDADRO CC(C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)=C1CCC1 ZINC001573594411 947395126 /nfs/dbraw/zinc/39/51/26/947395126.db2.gz YTPSJGBGSNEDQJ-GOSISDBHSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573594716 947405650 /nfs/dbraw/zinc/40/56/50/947405650.db2.gz COFMQEDNIIRHFV-MAUKXSAKSA-N 1 0 386.500 1.962 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826060236 947421802 /nfs/dbraw/zinc/42/18/02/947421802.db2.gz IYHDYLFOTXKZLY-MSOLQXFVSA-N 1 0 383.500 1.335 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001573596571 947431184 /nfs/dbraw/zinc/43/11/84/947431184.db2.gz LCULDAPWVVPADU-MLGOLLRUSA-N 1 0 390.463 1.351 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826134152 947446503 /nfs/dbraw/zinc/44/65/03/947446503.db2.gz STSVGIUIJONLMF-KXBFYZLASA-N 1 0 386.456 1.194 20 0 GDADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826132624 947446642 /nfs/dbraw/zinc/44/66/42/947446642.db2.gz FLUDUWKCXSOPGR-BEFAXECRSA-N 1 0 386.456 1.194 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)c1cccnc1 ZINC001573602146 947464718 /nfs/dbraw/zinc/46/47/18/947464718.db2.gz CVDXMJAHMTVFHG-OAHLLOKOSA-N 1 0 379.468 1.956 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000826158677 947500262 /nfs/dbraw/zinc/50/02/62/947500262.db2.gz YNLJERKEVBKIFT-MRXNPFEDSA-N 1 0 390.513 1.279 20 0 GDADRO CC(C(=O)N1C[C@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)=C1CCC1 ZINC001573607535 947548585 /nfs/dbraw/zinc/54/85/85/947548585.db2.gz OKNMQMJDHKYWQQ-LRDDRELGSA-N 1 0 381.484 1.999 20 0 GDADRO C[C@@H](C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)c1cccnc1 ZINC001573613793 947571972 /nfs/dbraw/zinc/57/19/72/947571972.db2.gz IZNYJFXGOHPIJH-DYVFJYSZSA-N 1 0 392.467 1.531 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573614386 947584095 /nfs/dbraw/zinc/58/40/95/947584095.db2.gz DVNYBJYDJPLLCF-GHMZBOCLSA-N 1 0 383.378 1.745 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573614827 947593291 /nfs/dbraw/zinc/59/32/91/947593291.db2.gz HRFWZWBCYUKBQC-UONOGXRCSA-N 1 0 385.497 1.929 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573616060 947614968 /nfs/dbraw/zinc/61/49/68/947614968.db2.gz LKHLTXHHLMIDOO-CHWSQXEVSA-N 1 0 386.485 1.324 20 0 GDADRO C/C(=C/C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001573357922 947655375 /nfs/dbraw/zinc/65/53/75/947655375.db2.gz CNSBLTQIGPVJPS-QXSWTLKVSA-N 1 0 384.484 1.474 20 0 GDADRO C=Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001573358312 947661981 /nfs/dbraw/zinc/66/19/81/947661981.db2.gz DRYACPACPIDSOL-KOMQPUFPSA-N 1 0 375.436 1.947 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573619558 947666943 /nfs/dbraw/zinc/66/69/43/947666943.db2.gz VSFNIFJNMFSELZ-BBRMVZONSA-N 1 0 383.431 1.759 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573623185 947685422 /nfs/dbraw/zinc/68/54/22/947685422.db2.gz DMMGTMAWEPUKEP-GUYCJALGSA-N 1 0 380.456 1.094 20 0 GDADRO C[C@@H](C(=O)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(C)(C)C ZINC001573623471 947688431 /nfs/dbraw/zinc/68/84/31/947688431.db2.gz GEJVUTQHAPDADE-ZDUSSCGKSA-N 1 0 387.488 1.131 20 0 GDADRO C[C@@H](C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC001573626624 947711822 /nfs/dbraw/zinc/71/18/22/947711822.db2.gz WNFWRWTVPGIVPD-CQSZACIVSA-N 1 0 384.484 1.356 20 0 GDADRO Cc1c(Cl)cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c1-c1nn[nH]n1 ZINC000826240942 947714549 /nfs/dbraw/zinc/71/45/49/947714549.db2.gz MLYFLAPBMCECDW-SECBINFHSA-N 1 0 391.892 1.970 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573372827 947784048 /nfs/dbraw/zinc/78/40/48/947784048.db2.gz DMPDKWULXOJONC-CQSZACIVSA-N 1 0 390.513 1.968 20 0 GDADRO C[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573637409 947812970 /nfs/dbraw/zinc/81/29/70/947812970.db2.gz BWPURGFXDIUGAF-KDOFPFPSSA-N 1 0 384.484 1.620 20 0 GDADRO CC(=O)CCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573378110 947854419 /nfs/dbraw/zinc/85/44/19/947854419.db2.gz VYCPTRXPTVGCNL-CHWSQXEVSA-N 1 0 376.436 1.748 20 0 GDADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1CC1 ZINC001573644047 947867605 /nfs/dbraw/zinc/86/76/05/947867605.db2.gz XQGRWHDFSIKYQI-LRDDRELGSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573644151 947869605 /nfs/dbraw/zinc/86/96/05/947869605.db2.gz ZCEDEECTJNSTNZ-MLGOLLRUSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573645866 947871043 /nfs/dbraw/zinc/87/10/43/947871043.db2.gz BYSWJVQAHCCYNU-ZBFHGGJFSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)C1CCCC1 ZINC001573647186 947886970 /nfs/dbraw/zinc/88/69/70/947886970.db2.gz DONISXFXSSJVJB-BMFZPTHFSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccc1 ZINC001573655162 947974691 /nfs/dbraw/zinc/97/46/91/947974691.db2.gz WEZAFKBKZBDQDR-KSSFIOAISA-N 1 0 379.468 1.914 20 0 GDADRO Cc1onc(CC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826346726 948043682 /nfs/dbraw/zinc/04/36/82/948043682.db2.gz UMTVMCVCFCRBOV-WFASDCNBSA-N 1 0 381.440 1.485 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573666252 948084573 /nfs/dbraw/zinc/08/45/73/948084573.db2.gz RNXMUFHROKEILI-CABCVRRESA-N 1 0 380.456 1.800 20 0 GDADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573677991 948144960 /nfs/dbraw/zinc/14/49/60/948144960.db2.gz ZPSRREXGPOFFJM-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573677989 948145872 /nfs/dbraw/zinc/14/58/72/948145872.db2.gz ZPSRREXGPOFFJM-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC001573679909 948169418 /nfs/dbraw/zinc/16/94/18/948169418.db2.gz KIFSHWWZQVGCBO-BLLLJJGKSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccn1 ZINC001573680667 948183665 /nfs/dbraw/zinc/18/36/65/948183665.db2.gz PLSDZQJVIDSSCC-CXAGYDPISA-N 1 0 380.456 1.309 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cccs1 ZINC001573681588 948208115 /nfs/dbraw/zinc/20/81/15/948208115.db2.gz WPHPIIPOTHICEA-GXTWGEPZSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCC1)[C@H]1CCCO1 ZINC001573691784 948246300 /nfs/dbraw/zinc/24/63/00/948246300.db2.gz ISXZJDYLADMMGR-RHSMWYFYSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573692674 948272619 /nfs/dbraw/zinc/27/26/19/948272619.db2.gz QIIZUXURXCSWKS-DGCLKSJQSA-N 1 0 378.452 1.255 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@H]2Cn2cccn2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477160 948386552 /nfs/dbraw/zinc/38/65/52/948386552.db2.gz WSWNZVDEUQFDGO-ROUUACIJSA-N 1 0 392.467 1.723 20 0 GDADRO C[C@@H](C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573706150 948413537 /nfs/dbraw/zinc/41/35/37/948413537.db2.gz YZQOFIRGHLEFJP-DNOWBOINSA-N 1 0 378.440 1.189 20 0 GDADRO C[C@@H](C(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1cnn(C)c1 ZINC001573715070 948482945 /nfs/dbraw/zinc/48/29/45/948482945.db2.gz OAQFCEAVXIWIKS-GFCCVEGCSA-N 1 0 386.435 1.139 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)C1CCCC1 ZINC001573741583 948655522 /nfs/dbraw/zinc/65/55/22/948655522.db2.gz ZKVXFSRWOBVAGV-XWIAVFTESA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[C@H]1CCCO1 ZINC001573752624 948713667 /nfs/dbraw/zinc/71/36/67/948713667.db2.gz PCDKTMZDPNYHJB-KMJFJPQNSA-N 1 0 382.468 1.228 20 0 GDADRO CC(F)(F)C1(C(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001575221776 948751251 /nfs/dbraw/zinc/75/12/51/948751251.db2.gz CJMDDDHIPSPVCQ-CYBMUJFWSA-N 1 0 377.399 1.426 20 0 GDADRO CC(C)c1ccc(C[NH2+][C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1 ZINC001574416719 948760016 /nfs/dbraw/zinc/76/00/16/948760016.db2.gz FHDQWWLRTUSCHQ-HNNXBMFYSA-N 1 0 383.456 1.199 20 0 GDADRO C[C@H](CNC(=O)CCc1ccc(F)cc1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574915354 948764293 /nfs/dbraw/zinc/76/42/93/948764293.db2.gz RVSVPIKNSDNDLJ-ZDUSSCGKSA-N 1 0 383.431 1.620 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnccn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574916702 948787734 /nfs/dbraw/zinc/78/77/34/948787734.db2.gz HVIBZDQOLDQTDS-LBPRGKRZSA-N 1 0 386.485 1.288 20 0 GDADRO CC(F)(F)C1(C(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001575224796 948796213 /nfs/dbraw/zinc/79/62/13/948796213.db2.gz YZEZJTRRVSHFNU-UHFFFAOYSA-N 1 0 377.399 1.426 20 0 GDADRO C[C@H](CNC(=O)CCc1cnccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574917073 948804855 /nfs/dbraw/zinc/80/48/55/948804855.db2.gz QAJUFXCHCPVSRM-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001575226987 948824846 /nfs/dbraw/zinc/82/48/46/948824846.db2.gz QKSAHYWFHWVVKK-XYPYZODXSA-N 1 0 377.399 1.426 20 0 GDADRO C[C@H](CNC(=O)CCCOc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574917775 948829022 /nfs/dbraw/zinc/82/90/22/948829022.db2.gz BDNPCARKCJRHOZ-CQSZACIVSA-N 1 0 381.440 1.459 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574684069 948854506 /nfs/dbraw/zinc/85/45/06/948854506.db2.gz AZVPPIMIBGVYFA-NQBHXWOUSA-N 1 0 392.895 1.562 20 0 GDADRO CC(C)c1cnc(C[NH2+]CC2CC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)o1 ZINC001574424492 948855935 /nfs/dbraw/zinc/85/59/35/948855935.db2.gz NJUCPGIGUOVXEF-UHFFFAOYSA-N 1 0 384.444 1.604 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C[N@H+](C)C1CCC1 ZINC001574684413 948867890 /nfs/dbraw/zinc/86/78/90/948867890.db2.gz FVUXAKBKSHAOEY-LLVKDONJSA-N 1 0 392.895 1.706 20 0 GDADRO CC(C)(C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573763778 948878629 /nfs/dbraw/zinc/87/86/29/948878629.db2.gz HGMIDCBAKSSSAH-UHFFFAOYSA-N 1 0 383.378 1.675 20 0 GDADRO CC(F)(F)CCC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001575234251 948893634 /nfs/dbraw/zinc/89/36/34/948893634.db2.gz ADYIALREFPHLOV-UHFFFAOYSA-N 1 0 379.415 1.960 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(F)F ZINC001573765034 948900204 /nfs/dbraw/zinc/90/02/04/948900204.db2.gz URYRQTGWNGCTKL-LLVKDONJSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CNC(=O)CCc1cncn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920939 948913753 /nfs/dbraw/zinc/91/37/53/948913753.db2.gz RMAFAGWZKHKZNE-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)c1ncc(C(=O)N[C@H](C)[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)s1 ZINC001574427828 948914767 /nfs/dbraw/zinc/91/47/67/948914767.db2.gz RDEGUGFMWFYIFB-WDEREUQCSA-N 1 0 386.485 1.882 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574685737 948917809 /nfs/dbraw/zinc/91/78/09/948917809.db2.gz ANLQBEQMRFXWAM-DMDPSCGWSA-N 1 0 376.440 1.048 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574432902 948941908 /nfs/dbraw/zinc/94/19/08/948941908.db2.gz OSLSCUQURXQMNM-VXGBXAGGSA-N 1 0 381.444 1.216 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574433322 948954431 /nfs/dbraw/zinc/95/44/31/948954431.db2.gz UOCVXNNFOSIEQJ-INIZCTEOSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CC2 ZINC001575241083 948970352 /nfs/dbraw/zinc/97/03/52/948970352.db2.gz AVEHBAOZMFWZNT-CYBMUJFWSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575241205 948973875 /nfs/dbraw/zinc/97/38/75/948973875.db2.gz CPEVXZSCRWYGKG-QWRGUYRKSA-N 1 0 385.394 1.630 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC001573773376 948983819 /nfs/dbraw/zinc/98/38/19/948983819.db2.gz AKFGANJOEKFAIF-LBPRGKRZSA-N 1 0 386.378 1.022 20 0 GDADRO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1c[nH]cn1 ZINC001573774479 949008025 /nfs/dbraw/zinc/00/80/25/949008025.db2.gz SFZJXPVDMPRGOV-AWEZNQCLSA-N 1 0 380.456 1.258 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCC1 ZINC001573774610 949015228 /nfs/dbraw/zinc/01/52/28/949015228.db2.gz OZPJFAWGXKHDMY-OAHLLOKOSA-N 1 0 390.463 1.399 20 0 GDADRO CC(C)c1nocc1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574440670 949032020 /nfs/dbraw/zinc/03/20/20/949032020.db2.gz BVSLJDIIHCBDOA-OAHLLOKOSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCOC2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001575245961 949034888 /nfs/dbraw/zinc/03/48/88/949034888.db2.gz FVMRIBWENUIZPE-CYBMUJFWSA-N 1 0 391.451 1.250 20 0 GDADRO CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001574092894 949082874 /nfs/dbraw/zinc/08/28/74/949082874.db2.gz QBDPPALXFVRQDS-YOEHRIQHSA-N 1 0 387.488 1.395 20 0 GDADRO CC(C)(C(=O)NC[C@H]1CCCN1c1ccncc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573780277 949084678 /nfs/dbraw/zinc/08/46/78/949084678.db2.gz UZIVLIISGAQPIE-CQSZACIVSA-N 1 0 384.488 1.221 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1cccc(F)c1-c1nn[nH]n1)[NH+](C)C ZINC001574694602 949085026 /nfs/dbraw/zinc/08/50/26/949085026.db2.gz SLXGHFYBADWSFN-MLGOLLRUSA-N 1 0 377.468 1.851 20 0 GDADRO C[C@@H](Nc1cncc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575250936 949120511 /nfs/dbraw/zinc/12/05/11/949120511.db2.gz JFLWKUYTLXMTDX-OLZOCXBDSA-N 1 0 387.492 1.226 20 0 GDADRO C[C@@H](CNC(=O)COCc1cccnc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574931773 949126254 /nfs/dbraw/zinc/12/62/54/949126254.db2.gz SBWKGISJVYTTRF-AWEZNQCLSA-N 1 0 381.440 1.073 20 0 GDADRO C[C@H](CNC(=O)COCC1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574932362 949142113 /nfs/dbraw/zinc/14/21/13/949142113.db2.gz YLGQQMUOJRUOOS-GFCCVEGCSA-N 1 0 378.502 1.729 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934088 949146236 /nfs/dbraw/zinc/14/62/36/949146236.db2.gz BRQPMWRZENJBGT-LLVKDONJSA-N 1 0 387.831 1.333 20 0 GDADRO C[C@H](CNC(=O)COc1ccsc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574934135 949150966 /nfs/dbraw/zinc/15/09/66/949150966.db2.gz CBZRVZANDJWZNG-SNVBAGLBSA-N 1 0 378.483 1.663 20 0 GDADRO C[C@H](CNC(=O)COc1cccc(Cl)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934290 949155022 /nfs/dbraw/zinc/15/50/22/949155022.db2.gz DKQFEMPVBFWIKI-LLVKDONJSA-N 1 0 387.831 1.333 20 0 GDADRO C[C@H](NC(=O)C1(C)CCOCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575252273 949158113 /nfs/dbraw/zinc/15/81/13/949158113.db2.gz FAFFTSGPRSANFD-AWEZNQCLSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)C1CC1 ZINC001573787223 949172664 /nfs/dbraw/zinc/17/26/64/949172664.db2.gz PXPARFLOYCIAKX-QLPKVWCKSA-N 1 0 384.459 1.988 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573787290 949175868 /nfs/dbraw/zinc/17/58/68/949175868.db2.gz RZPCFUYZLGMNMT-QAQDUYKDSA-N 1 0 391.479 1.976 20 0 GDADRO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[nH]n2)nc1)[NH+]1CCCC1 ZINC001573787379 949179714 /nfs/dbraw/zinc/17/97/14/949179714.db2.gz WESSDHDFJGHEHG-XYPHTWIQSA-N 1 0 396.499 1.362 20 0 GDADRO C[C@H](c1cnccn1)[NH+]1CCC(C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001575516933 949214651 /nfs/dbraw/zinc/21/46/51/949214651.db2.gz RSQSZRUIDZWBCZ-GFCCVEGCSA-N 1 0 381.444 1.330 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(F)CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574701517 949262020 /nfs/dbraw/zinc/26/20/20/949262020.db2.gz BIVWSVXIRLTLMF-APPDUMDISA-N 1 0 380.399 1.071 20 0 GDADRO CC(C)n1ccc(CC(=O)N(C)CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001574459478 949364594 /nfs/dbraw/zinc/36/45/94/949364594.db2.gz IFZJDWJZCLTSNX-UHFFFAOYSA-N 1 0 382.472 1.435 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001574459861 949369014 /nfs/dbraw/zinc/36/90/14/949369014.db2.gz MVDCJJQIUDGGCI-ZDUSSCGKSA-N 1 0 383.460 1.224 20 0 GDADRO C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575262528 949376763 /nfs/dbraw/zinc/37/67/63/949376763.db2.gz BFZSJJSMVXWBPX-ZUOKHONESA-N 1 0 384.484 1.354 20 0 GDADRO C[C@@]1(C(=O)N2CCC(C[NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575534268 949424550 /nfs/dbraw/zinc/42/45/50/949424550.db2.gz LZIGTEIJANHJJU-HXUWFJFHSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@]1(C(=O)N2CCC(C[NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575534266 949425429 /nfs/dbraw/zinc/42/54/29/949425429.db2.gz LZIGTEIJANHJJU-FQEVSTJZSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H](CNC(=O)Cc1cncs1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574946612 949432514 /nfs/dbraw/zinc/43/25/14/949432514.db2.gz WSPROONCHIHTSM-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574705635 949434153 /nfs/dbraw/zinc/43/41/53/949434153.db2.gz JLEZUSPVHHUHHO-IUCAKERBSA-N 1 0 384.897 1.330 20 0 GDADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)C1 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C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574998888 950563741 /nfs/dbraw/zinc/56/37/41/950563741.db2.gz CAZHWZMYHCRFHS-MRVPVSSYSA-N 1 0 377.359 1.177 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001574754611 950577382 /nfs/dbraw/zinc/57/73/82/950577382.db2.gz NNUDGKNLHJSSQW-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[C@@H](C)n1ccnc1 ZINC001574513578 950616587 /nfs/dbraw/zinc/61/65/87/950616587.db2.gz UKZJTVSADFAVGU-CHWSQXEVSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574513729 950620735 /nfs/dbraw/zinc/62/07/35/950620735.db2.gz WZUFBXBWRWPXNW-ZIAGYGMSSA-N 1 0 382.472 1.388 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccncc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574758772 950622264 /nfs/dbraw/zinc/62/22/64/950622264.db2.gz GSHLTDBWQULNCO-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575922659 950650311 /nfs/dbraw/zinc/65/03/11/950650311.db2.gz ACACJFKECPTMDT-ZWNOBZJWSA-N 1 0 380.412 1.264 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573873693 950652792 /nfs/dbraw/zinc/65/27/92/950652792.db2.gz YJXVRAMUPMAPIL-HDJSIYSDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccsn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574760936 950687074 /nfs/dbraw/zinc/68/70/74/950687074.db2.gz OWSSELFBLVYMCO-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1ccco1 ZINC001574519735 950696218 /nfs/dbraw/zinc/69/62/18/950696218.db2.gz YEKVVFXWEFOZAU-XJQUKVTJSA-N 1 0 379.424 1.599 20 0 GDADRO C[C@H](Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CC[C@H](C)C1)[NH+](C)C ZINC001576215955 950719693 /nfs/dbraw/zinc/71/96/93/950719693.db2.gz XANGYDAZORJBEX-UONOGXRCSA-N 1 0 381.488 1.922 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574763605 950723241 /nfs/dbraw/zinc/72/32/41/950723241.db2.gz GITBIAOYHOUBJD-CYBMUJFWSA-N 1 0 386.435 1.283 20 0 GDADRO CC1(C)CC(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001575629937 950754789 /nfs/dbraw/zinc/75/47/89/950754789.db2.gz VLMOSEJDWDYFOE-DLBZAZTESA-N 1 0 384.484 1.354 20 0 GDADRO CC1(C)CC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)c(F)c4)C[C@H]32)C1 ZINC001575630288 950759032 /nfs/dbraw/zinc/75/90/32/950759032.db2.gz AAUNZVIOHFLHHK-QLPKVWCKSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@H](CN(C)C(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574764990 950771098 /nfs/dbraw/zinc/77/10/98/950771098.db2.gz BGGMPGURKDLVEK-MRVPVSSYSA-N 1 0 379.471 1.341 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cnn(C)c1 ZINC001574521320 950774527 /nfs/dbraw/zinc/77/45/27/950774527.db2.gz FKNZHRJWHCPISV-KBPBESRZSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(F)F)CC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576218208 950782696 /nfs/dbraw/zinc/78/26/96/950782696.db2.gz LLAIBMSJEXNGOL-HZMBPMFUSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cncs1 ZINC001574522183 950788157 /nfs/dbraw/zinc/78/81/57/950788157.db2.gz JCKHOWAHQSRQNA-STQMWFEESA-N 1 0 385.497 1.939 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1ccnc1 ZINC001574522196 950792959 /nfs/dbraw/zinc/79/29/59/950792959.db2.gz JJCPAFFJJIOUDE-CHWSQXEVSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cnoc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574522579 950798184 /nfs/dbraw/zinc/79/81/84/950798184.db2.gz KYWSTRVCLPJGCG-NEPJUHHUSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccn(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574522892 950801250 /nfs/dbraw/zinc/80/12/50/950801250.db2.gz LRFAVATWUXXDNF-NEPJUHHUSA-N 1 0 388.501 1.277 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccn(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574523108 950807567 /nfs/dbraw/zinc/80/75/67/950807567.db2.gz MAPSRRFHCCZUHY-KGLIPLIRSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1ccccc1N(C)C ZINC001575010341 950821571 /nfs/dbraw/zinc/82/15/71/950821571.db2.gz DGYDXNHTPOPEEA-ZDUSSCGKSA-N 1 0 382.472 1.511 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1cc[nH]n1 ZINC001574523839 950836090 /nfs/dbraw/zinc/83/60/90/950836090.db2.gz RBICFOUBVRLQFQ-VXGBXAGGSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CCOC1CCCCCC1 ZINC001575011405 950854556 /nfs/dbraw/zinc/85/45/56/950854556.db2.gz POSPCIWSIJLYTP-AWEZNQCLSA-N 1 0 389.504 1.984 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1=CCOCC1 ZINC001574524836 950870857 /nfs/dbraw/zinc/87/08/57/950870857.db2.gz ZPLZDSHHZLNJRI-CHWSQXEVSA-N 1 0 388.447 1.725 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CC1(O)CCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574524813 950873128 /nfs/dbraw/zinc/87/31/28/950873128.db2.gz ZKNZQAIPPZIUKU-OLZOCXBDSA-N 1 0 390.463 1.684 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cncs1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574524845 950877871 /nfs/dbraw/zinc/87/78/71/950877871.db2.gz ZSXUNLDSUHTUEA-OLZOCXBDSA-N 1 0 385.497 1.939 20 0 GDADRO CC(C)n1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001574527164 950878075 /nfs/dbraw/zinc/87/80/75/950878075.db2.gz AGLXWUGMVWCQOK-RYUDHWBXSA-N 1 0 386.464 1.054 20 0 GDADRO CC(C)n1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001574527163 950879320 /nfs/dbraw/zinc/87/93/20/950879320.db2.gz AGLXWUGMVWCQOK-NWDGAFQWSA-N 1 0 386.464 1.054 20 0 GDADRO C[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576226439 950882472 /nfs/dbraw/zinc/88/24/72/950882472.db2.gz BIHWYORZWMPAQL-YOEHRIQHSA-N 1 0 384.484 1.477 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1csnn1 ZINC001574527210 950883797 /nfs/dbraw/zinc/88/37/97/950883797.db2.gz AQYYENJTNNYXJJ-NXEZZACHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccn(C)n1 ZINC001574527553 950890527 /nfs/dbraw/zinc/89/05/27/950890527.db2.gz DHEFMAMETBHPIN-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574527530 950891231 /nfs/dbraw/zinc/89/12/31/950891231.db2.gz CYQXYFTUVIKBAM-RYUDHWBXSA-N 1 0 382.428 1.049 20 0 GDADRO CC(C)c1ocnc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527658 950901730 /nfs/dbraw/zinc/90/17/30/950901730.db2.gz FNIOVIRGCUKFHT-RYUDHWBXSA-N 1 0 386.460 1.993 20 0 GDADRO CC(C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001574190490 950910942 /nfs/dbraw/zinc/91/09/42/950910942.db2.gz YKOMNBAYCYXVFC-MSOLQXFVSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574527951 950912824 /nfs/dbraw/zinc/91/28/24/950912824.db2.gz IWAIHYAFJZHICF-ZJUUUORDSA-N 1 0 388.457 1.111 20 0 GDADRO CC(C)CCCC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001574190493 950912953 /nfs/dbraw/zinc/91/29/53/950912953.db2.gz YKOMNBAYCYXVFC-ROUUACIJSA-N 1 0 386.500 1.744 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575641263 950916198 /nfs/dbraw/zinc/91/61/98/950916198.db2.gz CAQFCYJCFMIHIE-FZKQIMNGSA-N 1 0 390.513 1.417 20 0 GDADRO CC(C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001574190738 950917791 /nfs/dbraw/zinc/91/77/91/950917791.db2.gz ZVVSXHGPTACGQX-MSOLQXFVSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cncnc1 ZINC001574527990 950918056 /nfs/dbraw/zinc/91/80/56/950918056.db2.gz JLGQECSQFVPRFK-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574771570 950925738 /nfs/dbraw/zinc/92/57/38/950925738.db2.gz GRUUYBYBZMMFNT-MLGOLLRUSA-N 1 0 375.452 1.037 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576228012 950930723 /nfs/dbraw/zinc/93/07/23/950930723.db2.gz ICAGFKXIIAOQON-KDOFPFPSSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)(CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001573895441 950936048 /nfs/dbraw/zinc/93/60/48/950936048.db2.gz AZKYMSFOZBVRKW-LBPRGKRZSA-N 1 0 378.502 1.321 20 0 GDADRO CC(C)CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)O2 ZINC001574195021 950967668 /nfs/dbraw/zinc/96/76/68/950967668.db2.gz GESVIAMUZDAKIF-HNNXBMFYSA-N 1 0 387.488 1.594 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnsn1 ZINC001574530031 950968501 /nfs/dbraw/zinc/96/85/01/950968501.db2.gz SLGSDCAQNOZDQY-VHSXEESVSA-N 1 0 390.448 1.544 20 0 GDADRO CC(C)(CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573898291 950975423 /nfs/dbraw/zinc/97/54/23/950975423.db2.gz YOIDTVNTNQJDLA-CQSZACIVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574530533 950983344 /nfs/dbraw/zinc/98/33/44/950983344.db2.gz VLZFSEMEOKNWBB-CHWSQXEVSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576229878 950984033 /nfs/dbraw/zinc/98/40/33/950984033.db2.gz ONJGOCSTBWDRJR-UKRRQHHQSA-N 1 0 385.472 1.007 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccccc1OC1CC1 ZINC001575020326 951057298 /nfs/dbraw/zinc/05/72/98/951057298.db2.gz YWHKZYCGTURKSE-GFCCVEGCSA-N 1 0 381.440 1.644 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)COC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575024346 951101965 /nfs/dbraw/zinc/10/19/65/951101965.db2.gz BKGZYZJCCAWBEI-ZDUSSCGKSA-N 1 0 378.436 1.805 20 0 GDADRO C[C@H](CNC(=O)c1cccc(C(F)(F)F)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575026700 951146382 /nfs/dbraw/zinc/14/63/82/951146382.db2.gz MCUKCFQAJJRVBV-SECBINFHSA-N 1 0 392.345 1.328 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(N2CCCC2)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575027940 951162303 /nfs/dbraw/zinc/16/23/03/951162303.db2.gz JGTJSTCVUDSOBE-AWEZNQCLSA-N 1 0 392.467 1.514 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)o1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575043650 951400813 /nfs/dbraw/zinc/40/08/13/951400813.db2.gz LJSHJBDANJUXRR-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(C(F)(F)F)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575045365 951425339 /nfs/dbraw/zinc/42/53/39/951425339.db2.gz AVVXKCONPXGREC-VIFPVBQESA-N 1 0 392.345 1.328 20 0 GDADRO CC(C)c1ncncc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575046201 951437419 /nfs/dbraw/zinc/43/74/19/951437419.db2.gz LAKIGHYWCWUHQD-NSHDSACASA-N 1 0 386.485 1.750 20 0 GDADRO C[C@H](CNC(=O)c1cnn2c1CCC2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575053222 951476139 /nfs/dbraw/zinc/47/61/39/951476139.db2.gz AICDKSVRIOKEIL-LLVKDONJSA-N 1 0 384.419 1.057 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575053761 951482877 /nfs/dbraw/zinc/48/28/77/951482877.db2.gz VJIYCOLHBMNXMJ-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cnoc1C1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575055200 951500268 /nfs/dbraw/zinc/50/02/68/951500268.db2.gz OAEXPXIEKAZOHU-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056347 951519437 /nfs/dbraw/zinc/51/94/37/951519437.db2.gz HUYISHAFUWVQTO-NSHDSACASA-N 1 0 384.444 1.802 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCC2)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575061186 951555224 /nfs/dbraw/zinc/55/52/24/951555224.db2.gz LGMRXUZKKLHUND-GFCCVEGCSA-N 1 0 380.456 1.329 20 0 GDADRO C[C@H](CNC(=O)c1nccs1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575065228 951580828 /nfs/dbraw/zinc/58/08/28/951580828.db2.gz AAGDGFCURIIPHS-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)c1ncc2n1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575067977 951627607 /nfs/dbraw/zinc/62/76/07/951627607.db2.gz UDSJJXQYXJPSGL-NSHDSACASA-N 1 0 386.485 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1scnc1C(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575071032 951656634 /nfs/dbraw/zinc/65/66/34/951656634.db2.gz XJFSUIODTBZUBM-JTQLQIEISA-N 1 0 386.485 1.668 20 0 GDADRO C[C@H](C[NH2+]C[C@H](O)c1ccccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077169 951661730 /nfs/dbraw/zinc/66/17/30/951661730.db2.gz DYFFPJLJKVLZGJ-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCCCO1 ZINC001575077482 951670117 /nfs/dbraw/zinc/67/01/17/951670117.db2.gz FHAJSJBOGOTNDG-BLLLJJGKSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1cncs1 ZINC001575077558 951671476 /nfs/dbraw/zinc/67/14/76/951671476.db2.gz GRIVAIQWNCIEEW-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077852 951675672 /nfs/dbraw/zinc/67/56/72/951675672.db2.gz IZQPWYRWVCWZCK-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1cc(F)ccc1F ZINC001575079460 951692559 /nfs/dbraw/zinc/69/25/59/951692559.db2.gz FDPLJBQINNYTQP-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@H](O)c1ccccc1F ZINC001575079758 951696303 /nfs/dbraw/zinc/69/63/03/951696303.db2.gz OMHTYTJILJIQLB-BZNIZROVSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575080094 951703725 /nfs/dbraw/zinc/70/37/25/951703725.db2.gz URQUYPNXQMVYGZ-BFUOFWGJSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)c1csnn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080376 951707732 /nfs/dbraw/zinc/70/77/32/951707732.db2.gz KLJOCCFQPUVGJH-VIFPVBQESA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@H](CNC(=O)CCn1cccc1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080754 951715007 /nfs/dbraw/zinc/71/50/07/951715007.db2.gz ZFBJHSSMLOJJEI-CQSZACIVSA-N 1 0 385.447 1.740 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575081178 951719629 /nfs/dbraw/zinc/71/96/29/951719629.db2.gz PERYNNCQCKHHQJ-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccon1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081340 951721870 /nfs/dbraw/zinc/72/18/70/951721870.db2.gz TWWVAIKMDNTFAR-GFCCVEGCSA-N 1 0 387.419 1.469 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1n[nH]cc1F ZINC001575081720 951726085 /nfs/dbraw/zinc/72/60/85/951726085.db2.gz SIWXBIIPGPUSQK-SECBINFHSA-N 1 0 376.371 1.118 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001575081852 951726780 /nfs/dbraw/zinc/72/67/80/951726780.db2.gz WIMMSWPJLAEDBY-MEDUHNTESA-N 1 0 387.419 1.023 20 0 GDADRO C[C@@H](CNC(=O)CCn1cccn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081821 951727551 /nfs/dbraw/zinc/72/75/51/951727551.db2.gz WBKDSMFJOMPOME-CYBMUJFWSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575082566 951734020 /nfs/dbraw/zinc/73/40/20/951734020.db2.gz XFANUGHPJCWKHF-QWHCGFSZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088679 951741715 /nfs/dbraw/zinc/74/17/15/951741715.db2.gz AFYIHEVGMWVEEE-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088667 951741846 /nfs/dbraw/zinc/74/18/46/951741846.db2.gz ADSGILQYCFWZMT-CJNGLKHVSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001575089368 951749474 /nfs/dbraw/zinc/74/94/74/951749474.db2.gz GWICETLZGPHCKX-DBVUQKKJSA-N 1 0 382.468 1.278 20 0 GDADRO C[C@H](CNC(=O)c1cccc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089892 951754518 /nfs/dbraw/zinc/75/45/18/951754518.db2.gz IHVMZNUELQWMTB-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1COc2ccccc21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090201 951758972 /nfs/dbraw/zinc/75/89/72/951758972.db2.gz JYWNDGUFYIMTHR-KBXCAEBGSA-N 1 0 392.463 1.885 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575090912 951765045 /nfs/dbraw/zinc/76/50/45/951765045.db2.gz NYFZTWSURQQBAM-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)CCc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091075 951767691 /nfs/dbraw/zinc/76/76/91/951767691.db2.gz NNZQLMLMCYTWKM-AWEZNQCLSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccnn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091278 951773058 /nfs/dbraw/zinc/77/30/58/951773058.db2.gz PPZNAUICHAJGAI-CQSZACIVSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@H](CNC(=O)[C@H]1Cc2cccnc2C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091981 951786796 /nfs/dbraw/zinc/78/67/96/951786796.db2.gz WZAWBHWNFHBDBC-KSSFIOAISA-N 1 0 391.479 1.519 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092539 951794724 /nfs/dbraw/zinc/79/47/24/951794724.db2.gz DJCOZFYPZOPBGD-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575095117 951809154 /nfs/dbraw/zinc/80/91/54/951809154.db2.gz RWBGGAFNKSDMMW-IFXJQAMLSA-N 1 0 392.463 1.807 20 0 GDADRO C[C@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099365 951831725 /nfs/dbraw/zinc/83/17/25/951831725.db2.gz KPQUCIHXVWFYPO-STQMWFEESA-N 1 0 378.502 1.587 20 0 GDADRO C[C@H](CNC(=O)CCc1ccccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575101000 951851815 /nfs/dbraw/zinc/85/18/15/951851815.db2.gz XMKNRICUDDJCRK-ZDUSSCGKSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101198 951855557 /nfs/dbraw/zinc/85/55/57/951855557.db2.gz AVITXIKIEHPZDJ-IYDIDCQVSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101382 951858186 /nfs/dbraw/zinc/85/81/86/951858186.db2.gz COKCNUHGESWHIK-WBMJQRKESA-N 1 0 376.436 1.417 20 0 GDADRO C[C@@H](CNC(=O)Cc1cncs1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103336 951876518 /nfs/dbraw/zinc/87/65/18/951876518.db2.gz SMPFLMBWDBTKLU-LLVKDONJSA-N 1 0 389.460 1.547 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575106591 951904074 /nfs/dbraw/zinc/90/40/74/951904074.db2.gz SSGFBBMANLXOEQ-MOPGFXCFSA-N 1 0 388.447 1.370 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1cnns1 ZINC001575106540 951904889 /nfs/dbraw/zinc/90/48/89/951904889.db2.gz RUNFTNBQDXCROF-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001575106992 951909334 /nfs/dbraw/zinc/90/93/34/951909334.db2.gz WZNKFANWDUXCDW-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@H](CNC(=O)c1ncoc1C1CC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107319 951917147 /nfs/dbraw/zinc/91/71/47/951917147.db2.gz CJWNJUUZCLGMIU-LBPRGKRZSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109255 951930263 /nfs/dbraw/zinc/93/02/63/951930263.db2.gz QLQRMFOVCXELPB-XFKAJCMBSA-N 1 0 384.484 1.524 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C1(F)CCOCC1 ZINC001575110231 951937617 /nfs/dbraw/zinc/93/76/17/951937617.db2.gz YHBKHENUBPUYCS-ZDUSSCGKSA-N 1 0 376.436 1.322 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575110225 951937905 /nfs/dbraw/zinc/93/79/05/951937905.db2.gz YDIALHVNXCTDOI-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001575110364 951939490 /nfs/dbraw/zinc/93/94/90/951939490.db2.gz ZUORWWXZMYEXDU-CABCVRRESA-N 1 0 382.472 1.651 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)c1ncccn1)C1CC1 ZINC001575113713 951943106 /nfs/dbraw/zinc/94/31/06/951943106.db2.gz DJYYWBPUDVUIPM-IBGZPJMESA-N 1 0 378.440 1.345 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)CCO2)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115574 951966294 /nfs/dbraw/zinc/96/62/94/951966294.db2.gz YJZJMJPVWIEHNM-AWEZNQCLSA-N 1 0 392.463 1.957 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001575119335 951989015 /nfs/dbraw/zinc/98/90/15/951989015.db2.gz XJKCEJOHHXDLNY-NSHDSACASA-N 1 0 386.460 1.636 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575145477 952185091 /nfs/dbraw/zinc/18/50/91/952185091.db2.gz YIAOCIDNGXYBMG-BFUOFWGJSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575145992 952190167 /nfs/dbraw/zinc/19/01/67/952190167.db2.gz FIBQVSHLJXCSNR-AEGPPILISA-N 1 0 378.440 1.141 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575148133 952202221 /nfs/dbraw/zinc/20/22/21/952202221.db2.gz XUKYSOSJFYMICM-VHDGCEQUSA-N 1 0 385.472 1.005 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001575153369 952208120 /nfs/dbraw/zinc/20/81/20/952208120.db2.gz GSKXPPQZNXRLKM-DZGCQCFKSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575190502 952462403 /nfs/dbraw/zinc/46/24/03/952462403.db2.gz SZEQPRMXXLAZIV-KGLIPLIRSA-N 1 0 381.440 1.416 20 0 GDADRO O=C(NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1cc(F)c[nH]1 ZINC001571116848 952478649 /nfs/dbraw/zinc/47/86/49/952478649.db2.gz DXVPMOVLEYFWNO-SNVBAGLBSA-N 1 0 375.433 1.647 20 0 GDADRO CC[C@H](F)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001571117163 952479817 /nfs/dbraw/zinc/47/98/17/952479817.db2.gz HMNIADAMGYRGKR-KSSFIOAISA-N 1 0 375.452 1.871 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001575201461 952503835 /nfs/dbraw/zinc/50/38/35/952503835.db2.gz PMKXSEVSGQQOQN-RYUDHWBXSA-N 1 0 386.435 1.202 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575201528 952505609 /nfs/dbraw/zinc/50/56/09/952505609.db2.gz IMJPNSAKRBCDRJ-CZUORRHYSA-N 1 0 380.456 1.159 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001575201810 952506359 /nfs/dbraw/zinc/50/63/59/952506359.db2.gz QSLZACGWUXLGFX-CYBMUJFWSA-N 1 0 380.456 1.207 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575202429 952513062 /nfs/dbraw/zinc/51/30/62/952513062.db2.gz NPVMIERNGBPLMS-HBUWYVDXSA-N 1 0 394.483 1.405 20 0 GDADRO CCN(C(=O)[C@H]1CC1(F)F)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571121060 952515166 /nfs/dbraw/zinc/51/51/66/952515166.db2.gz VRKYHDRDYWUTBU-HUUCEWRRSA-N 1 0 376.411 1.945 20 0 GDADRO CO[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001571121910 952522751 /nfs/dbraw/zinc/52/27/51/952522751.db2.gz DSPYYBBNFGYRKL-XQQFMLRXSA-N 1 0 376.486 1.528 20 0 GDADRO O=C(c1ncccn1)N1CC2(C1)CC[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001571122302 952525226 /nfs/dbraw/zinc/52/52/26/952525226.db2.gz IKLVCYXIFLFSCP-UHFFFAOYSA-N 1 0 376.424 1.005 20 0 GDADRO O=C(c1ccnc(C2CC2)c1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571122799 952526062 /nfs/dbraw/zinc/52/60/62/952526062.db2.gz LJRQQWHODWFGSO-CQSZACIVSA-N 1 0 376.424 1.283 20 0 GDADRO O=C(c1csnn1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571123435 952530526 /nfs/dbraw/zinc/53/05/26/952530526.db2.gz RZHVRUWTWRIJLH-SECBINFHSA-N 1 0 376.471 1.032 20 0 GDADRO O=C(COC1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571123852 952532454 /nfs/dbraw/zinc/53/24/54/952532454.db2.gz WTGVSUGJCHFKQP-GFCCVEGCSA-N 1 0 376.486 1.578 20 0 GDADRO O=C(N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C1(C(F)F)CC1 ZINC001571124851 952545280 /nfs/dbraw/zinc/54/52/80/952545280.db2.gz WLVWXPLLQRFZMC-NSHDSACASA-N 1 0 377.399 1.522 20 0 GDADRO CC(F)(F)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001575212903 952555945 /nfs/dbraw/zinc/55/59/45/952555945.db2.gz NJEGAJHGRCGYMQ-SFHVURJKSA-N 1 0 376.411 1.946 20 0 GDADRO Cc1ccncc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001571127915 952561683 /nfs/dbraw/zinc/56/16/83/952561683.db2.gz MRWJFFQIARKNIE-RHSMWYFYSA-N 1 0 377.452 1.963 20 0 GDADRO Cc1ccncc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC001571127916 952561857 /nfs/dbraw/zinc/56/18/57/952561857.db2.gz MRWJFFQIARKNIE-WMLDXEAASA-N 1 0 377.452 1.963 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001571128186 952564682 /nfs/dbraw/zinc/56/46/82/952564682.db2.gz QEHLOGKERWJQLR-XWIAVFTESA-N 1 0 377.452 1.802 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001575214725 952567102 /nfs/dbraw/zinc/56/71/02/952567102.db2.gz ONKIXOUREKMTQK-ZIAGYGMSSA-N 1 0 394.426 1.209 20 0 GDADRO Cc1ccncc1C(=O)N[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571134006 952583815 /nfs/dbraw/zinc/58/38/15/952583815.db2.gz BCORCMPZWCSTCV-UONOGXRCSA-N 1 0 378.440 1.540 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571134158 952585722 /nfs/dbraw/zinc/58/57/22/952585722.db2.gz BIEVPOGNSVYQSE-KBMXLJTQSA-N 1 0 378.440 1.434 20 0 GDADRO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)[nH+]cc2-c2nn[nH]n2)n1C ZINC001571134521 952592039 /nfs/dbraw/zinc/59/20/39/952592039.db2.gz JRPPKAJZMVVWSP-KBPBESRZSA-N 1 0 378.440 1.320 20 0 GDADRO Cc1nccc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571135114 952599780 /nfs/dbraw/zinc/59/97/80/952599780.db2.gz RUKBFIOGWIKDTF-OAHLLOKOSA-N 1 0 378.440 1.360 20 0 GDADRO C[C@@]1(NC(=O)c2ccccc2O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571136020 952612393 /nfs/dbraw/zinc/61/23/93/952612393.db2.gz KUOHHVRWUUCZTE-HXUWFJFHSA-N 1 0 378.436 1.967 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001571139060 952618012 /nfs/dbraw/zinc/61/80/12/952618012.db2.gz BAQHHSQBAOWYPS-YPMHNXCESA-N 1 0 379.415 1.824 20 0 GDADRO Cc1cc(N[C@@H]2CCCN(C(=O)c3ccccc3O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571141242 952631964 /nfs/dbraw/zinc/63/19/64/952631964.db2.gz IYVSMDWZGDWIQN-CYBMUJFWSA-N 1 0 379.424 1.414 20 0 GDADRO C[C@]12CN(C(=O)Cc3ccco3)C[C@H]1CN(c1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571141269 952632643 /nfs/dbraw/zinc/63/26/43/952632643.db2.gz JIZJJZHPMSFLOD-YJYMSZOUSA-N 1 0 379.424 1.382 20 0 GDADRO CS[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571141640 952634797 /nfs/dbraw/zinc/63/47/97/952634797.db2.gz JLLOIFGUGYGWDJ-AAEUAGOBSA-N 1 0 378.477 1.838 20 0 GDADRO O=C(N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2)c1ccn[nH]1 ZINC001571141944 952637426 /nfs/dbraw/zinc/63/74/26/952637426.db2.gz LKESXXMWNWFMND-KXBFYZLASA-N 1 0 378.440 1.374 20 0 GDADRO COc1cccc(C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571142162 952638735 /nfs/dbraw/zinc/63/87/35/952638735.db2.gz QEAVHVAOGISGEC-UHFFFAOYSA-N 1 0 379.424 1.313 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3ccccc3O)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571142655 952644997 /nfs/dbraw/zinc/64/49/97/952644997.db2.gz ZPBNQTBUCKRZDA-IUODEOHRSA-N 1 0 379.424 1.413 20 0 GDADRO O=C(c1cccc(=O)[nH]1)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571148442 952667683 /nfs/dbraw/zinc/66/76/83/952667683.db2.gz ZOHCHVBLOYCAQU-HNNXBMFYSA-N 1 0 379.424 1.362 20 0 GDADRO Cc1ccc(CC[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1 ZINC001571150472 952668218 /nfs/dbraw/zinc/66/82/18/952668218.db2.gz BONDIPQTUBMPGQ-KRWDZBQOSA-N 1 0 379.468 1.940 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC001571151216 952673671 /nfs/dbraw/zinc/67/36/71/952673671.db2.gz NHFNDDRNPQQZHK-WMLDXEAASA-N 1 0 379.468 1.846 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571153927 952688538 /nfs/dbraw/zinc/68/85/38/952688538.db2.gz VYVQXLLUXXCXGN-FZQKWOKYSA-N 1 0 380.374 1.740 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C ZINC001571155319 952695868 /nfs/dbraw/zinc/69/58/68/952695868.db2.gz NQIHCCKSNNMOBC-ZWNOBZJWSA-N 1 0 380.399 1.467 20 0 GDADRO CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571165649 952752946 /nfs/dbraw/zinc/75/29/46/952752946.db2.gz HIYCXCBAKVBTFU-INIZCTEOSA-N 1 0 380.456 1.430 20 0 GDADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001571167068 952768550 /nfs/dbraw/zinc/76/85/50/952768550.db2.gz UWKCMVAAYLEISZ-CQSZACIVSA-N 1 0 380.456 1.405 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571167116 952770553 /nfs/dbraw/zinc/77/05/53/952770553.db2.gz VYCQIBVKBUPQKY-OAHLLOKOSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@H]1CN(C(=O)c2ccn(C)c2)CC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571167125 952770586 /nfs/dbraw/zinc/77/05/86/952770586.db2.gz WBWJLSPBKXMRJC-UONOGXRCSA-N 1 0 380.456 1.232 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccnn2C)CC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571167201 952771487 /nfs/dbraw/zinc/77/14/87/952771487.db2.gz YAKBOVPSRDOOHC-CZUORRHYSA-N 1 0 380.456 1.241 20 0 GDADRO CCn1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571169516 952774652 /nfs/dbraw/zinc/77/46/52/952774652.db2.gz FMCNQYHVZWCMOU-HNNXBMFYSA-N 1 0 380.456 1.478 20 0 GDADRO CCn1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571169517 952774730 /nfs/dbraw/zinc/77/47/30/952774730.db2.gz FMCNQYHVZWCMOU-OAHLLOKOSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1nc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@H]2C)c[nH]1 ZINC001571169588 952776111 /nfs/dbraw/zinc/77/61/11/952776111.db2.gz HJXHZJZOAXBFBF-DOMZBBRYSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1cnn(C)c1C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169767 952778573 /nfs/dbraw/zinc/77/85/73/952778573.db2.gz MKFNLGBEACQMPF-UHFFFAOYSA-N 1 0 380.456 1.207 20 0 GDADRO CCn1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001571169885 952780656 /nfs/dbraw/zinc/78/06/56/952780656.db2.gz PTOXKQPTYLDNJF-INIZCTEOSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1cc(C)n(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571170084 952783336 /nfs/dbraw/zinc/78/33/36/952783336.db2.gz SPQMNCQRXIXREZ-QAQDUYKDSA-N 1 0 380.456 1.117 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCN1C(=O)Cn1ccnc1 ZINC001571170501 952787134 /nfs/dbraw/zinc/78/71/34/952787134.db2.gz VLMYUISABVBECL-QGZVFWFLSA-N 1 0 380.456 1.186 20 0 GDADRO Cc1ncc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571170558 952787341 /nfs/dbraw/zinc/78/73/41/952787341.db2.gz WMZULNDUSUAOGH-HZPDHXFCSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1ncccc1C[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571170844 952789243 /nfs/dbraw/zinc/78/92/43/952789243.db2.gz XNYVOFXWULTKCO-MRXNPFEDSA-N 1 0 380.456 1.635 20 0 GDADRO Cc1cncn1CC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571170937 952790580 /nfs/dbraw/zinc/79/05/80/952790580.db2.gz ZYSLEEQYLJQZJA-UHFFFAOYSA-N 1 0 380.456 1.151 20 0 GDADRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001571171565 952795278 /nfs/dbraw/zinc/79/52/78/952795278.db2.gz CFTHPIFRNRABAO-CUOATXAZSA-N 1 0 380.836 1.241 20 0 GDADRO C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571172008 952800413 /nfs/dbraw/zinc/80/04/13/952800413.db2.gz KDBWETNFRXZFMW-RUSTZOOPSA-N 1 0 381.362 1.141 20 0 GDADRO O=C(Cc1ncc[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571172226 952803937 /nfs/dbraw/zinc/80/39/37/952803937.db2.gz PYZDLCPMPARKCM-HZPDHXFCSA-N 1 0 380.456 1.350 20 0 GDADRO Cc1nn(C)cc1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172591 952808219 /nfs/dbraw/zinc/80/82/19/952808219.db2.gz XYERRJXNMFKNRL-MRXNPFEDSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)o1 ZINC001571179238 952850990 /nfs/dbraw/zinc/85/09/90/952850990.db2.gz AKGLIEYSIWWJHF-LRDDRELGSA-N 1 0 381.440 1.864 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC001571179642 952855061 /nfs/dbraw/zinc/85/50/61/952855061.db2.gz HVHRRKFJZGSCHQ-HNNXBMFYSA-N 1 0 381.440 1.805 20 0 GDADRO Cc1cc(NC[C@H]2CN(C(=O)Cc3ccco3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571179882 952856066 /nfs/dbraw/zinc/85/60/66/952856066.db2.gz JIYNSOCAYOPLDC-JSGCOSHPSA-N 1 0 381.440 1.334 20 0 GDADRO O=C(Cc1cnoc1)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571179913 952856069 /nfs/dbraw/zinc/85/60/69/952856069.db2.gz KDPRPBNNLQIAEQ-IRXDYDNUSA-N 1 0 381.440 1.472 20 0 GDADRO Cc1conc1C(=O)NC1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571181362 952863314 /nfs/dbraw/zinc/86/33/14/952863314.db2.gz VEXHSWJPYQIYHO-UHFFFAOYSA-N 1 0 381.440 1.994 20 0 GDADRO Cc1conc1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571181369 952863638 /nfs/dbraw/zinc/86/36/38/952863638.db2.gz VLVFFQUOTUSKSU-AWEZNQCLSA-N 1 0 381.440 1.805 20 0 GDADRO Cc1cocc1C(=O)NC[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571181943 952865441 /nfs/dbraw/zinc/86/54/41/952865441.db2.gz ZXMFQODARJWIOP-BXUZGUMPSA-N 1 0 381.440 1.974 20 0 GDADRO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2Cc2ccnn2C)c1-c1nn[nH]n1 ZINC001571182655 952867875 /nfs/dbraw/zinc/86/78/75/952867875.db2.gz ANJCPLVZMKZKGS-HNNXBMFYSA-N 1 0 381.440 1.594 20 0 GDADRO CCc1nc(C)c(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC001571182719 952868459 /nfs/dbraw/zinc/86/84/59/952868459.db2.gz CMHUXPBFFXACRK-UHFFFAOYSA-N 1 0 381.440 1.587 20 0 GDADRO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)c1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571182891 952871011 /nfs/dbraw/zinc/87/10/11/952871011.db2.gz IVWZZQQHQCIFRW-QGZVFWFLSA-N 1 0 381.436 1.976 20 0 GDADRO O=C(NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ccncc1 ZINC001571182979 952872257 /nfs/dbraw/zinc/87/22/57/952872257.db2.gz LMBNCYLZNZHLCJ-UHFFFAOYSA-N 1 0 381.415 1.699 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001571183063 952872669 /nfs/dbraw/zinc/87/26/69/952872669.db2.gz NFMCJKGDRCITKA-UHFFFAOYSA-N 1 0 381.415 1.699 20 0 GDADRO COc1ccc(C[NH2+]C2CC(CNC(=O)c3ccc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571183060 952872711 /nfs/dbraw/zinc/87/27/11/952872711.db2.gz NCGNXJBXDXQWIO-UHFFFAOYSA-N 1 0 381.440 1.502 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001571183191 952874247 /nfs/dbraw/zinc/87/42/47/952874247.db2.gz SBZPNVVMVABDDG-GOEBONIOSA-N 1 0 381.415 1.826 20 0 GDADRO Cc1cccnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571183248 952875145 /nfs/dbraw/zinc/87/51/45/952875145.db2.gz UIROXOCQGBIITN-GASCZTMLSA-N 1 0 381.415 1.760 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571183210 952875389 /nfs/dbraw/zinc/87/53/89/952875389.db2.gz SQXQENDRBMXHQF-BLLLJJGKSA-N 1 0 381.440 1.080 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571183215 952875486 /nfs/dbraw/zinc/87/54/86/952875486.db2.gz SSRHMILQEMSYQC-KGLIPLIRSA-N 1 0 381.440 1.558 20 0 GDADRO O=C(c1ncccc1F)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571183412 952877737 /nfs/dbraw/zinc/87/77/37/952877737.db2.gz ZQZGZJVVWTWJRX-CQSZACIVSA-N 1 0 381.415 1.795 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001571185607 952903269 /nfs/dbraw/zinc/90/32/69/952903269.db2.gz NULDBQQUZPRYRP-TZMCWYRMSA-N 1 0 381.444 1.116 20 0 GDADRO Cc1cnc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC001571189358 952929084 /nfs/dbraw/zinc/92/90/84/952929084.db2.gz VMXFMEFMRMDTEN-AWEZNQCLSA-N 1 0 381.444 1.078 20 0 GDADRO CC[C@H]1CN(C(=O)C(F)F)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571194173 952957762 /nfs/dbraw/zinc/95/77/62/952957762.db2.gz JQFNNLIBQDZIGF-FZMZJTMJSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571197323 952988898 /nfs/dbraw/zinc/98/88/98/952988898.db2.gz WNOCDPLEFNSPBW-VXGBXAGGSA-N 1 0 382.403 1.038 20 0 GDADRO CCc1ocnc1C(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571198559 952991090 /nfs/dbraw/zinc/99/10/90/952991090.db2.gz CDOFDJYSOMLYIK-UHFFFAOYSA-N 1 0 382.428 1.473 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1ccncn1 ZINC001571201108 953014690 /nfs/dbraw/zinc/01/46/90/953014690.db2.gz MSDYGCWAPVHJBL-JOCQHMNTSA-N 1 0 382.403 1.094 20 0 GDADRO COc1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)o1 ZINC001571201155 953014928 /nfs/dbraw/zinc/01/49/28/953014928.db2.gz OJFOUNUHKHKODQ-AWEZNQCLSA-N 1 0 382.424 1.863 20 0 GDADRO Cc1cc(C(=O)N2CCCC[C@@H]2CN(C)c2cc[nH+]cc2-c2nn[nH]n2)on1 ZINC001571201996 953021918 /nfs/dbraw/zinc/02/19/18/953021918.db2.gz PWWORKNCFFQXQP-CYBMUJFWSA-N 1 0 382.428 1.689 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@H](N(C)c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)co1 ZINC001571202786 953028677 /nfs/dbraw/zinc/02/86/77/953028677.db2.gz YSKLHHOCCQTDDI-ZDUSSCGKSA-N 1 0 382.428 1.608 20 0 GDADRO Cc1nocc1C[NH2+][C@@H]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 ZINC001571205326 953037027 /nfs/dbraw/zinc/03/70/27/953037027.db2.gz GXCNCGTXNGZLAN-HUUCEWRRSA-N 1 0 382.428 1.322 20 0 GDADRO C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571209808 953067692 /nfs/dbraw/zinc/06/76/92/953067692.db2.gz FOLMHCJNHAHEHW-NKGKWGDASA-N 1 0 382.468 1.467 20 0 GDADRO O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571209795 953068194 /nfs/dbraw/zinc/06/81/94/953068194.db2.gz FFRXHLCYTNHROP-BGTYHANMSA-N 1 0 382.468 1.230 20 0 GDADRO C[C@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210173 953070164 /nfs/dbraw/zinc/07/01/64/953070164.db2.gz NNDWSPPBQVPTRX-KSSFIOAISA-N 1 0 382.468 1.398 20 0 GDADRO CC1(C)C[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[C@@H]2COC[C@@H]21 ZINC001571210139 953070573 /nfs/dbraw/zinc/07/05/73/953070573.db2.gz MFFIXWXWAFXDKC-YESZJQIVSA-N 1 0 382.468 1.719 20 0 GDADRO O=C(N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@]12C[C@H]1COC2 ZINC001571210353 953071308 /nfs/dbraw/zinc/07/13/08/953071308.db2.gz PQGBCZPKLPMWBE-KNBMTAEXSA-N 1 0 382.468 1.231 20 0 GDADRO O=C([C@H]1CCCOC1)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571210399 953072184 /nfs/dbraw/zinc/07/21/84/953072184.db2.gz QRPPNJFJQBRKND-OKZBNKHCSA-N 1 0 382.468 1.326 20 0 GDADRO O=C(N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2)[C@H]1CCOC1 ZINC001571210833 953075242 /nfs/dbraw/zinc/07/52/42/953075242.db2.gz XXQAPWKNGGGGBE-DLBZAZTESA-N 1 0 382.468 1.374 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[nH]n2)C1 ZINC001571216909 953104186 /nfs/dbraw/zinc/10/41/86/953104186.db2.gz BZWUKUCJUOZDQK-DTWKUNHWSA-N 1 0 382.881 1.084 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)C(F)(F)F ZINC001571216993 953105761 /nfs/dbraw/zinc/10/57/61/953105761.db2.gz DSJGQNUMVXXDCJ-GMTAPVOTSA-N 1 0 383.378 1.388 20 0 GDADRO O=C(CC(F)(F)F)N1CCC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571217829 953111081 /nfs/dbraw/zinc/11/10/81/953111081.db2.gz PRBMCQZUWAPIEW-LLVKDONJSA-N 1 0 383.378 1.677 20 0 GDADRO COc1nc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571218876 953120206 /nfs/dbraw/zinc/12/02/06/953120206.db2.gz GBFUYQCIXSKBSU-CQSZACIVSA-N 1 0 383.412 1.258 20 0 GDADRO Cn1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC001571229415 953169247 /nfs/dbraw/zinc/16/92/47/953169247.db2.gz DPOXKXBXCZDSAP-OAHLLOKOSA-N 1 0 383.431 1.739 20 0 GDADRO Cn1ccc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)c1 ZINC001571229463 953169720 /nfs/dbraw/zinc/16/97/20/953169720.db2.gz FVPDZEOWVYYLPG-UHFFFAOYSA-N 1 0 383.431 1.739 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571229972 953172897 /nfs/dbraw/zinc/17/28/97/953172897.db2.gz PWSYCAPFLCIFIR-UHFFFAOYSA-N 1 0 383.431 1.976 20 0 GDADRO Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001571229859 953173029 /nfs/dbraw/zinc/17/30/29/953173029.db2.gz PRLVJGWDSXHPNT-SJKOYZFVSA-N 1 0 383.431 1.893 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001571230450 953177574 /nfs/dbraw/zinc/17/75/74/953177574.db2.gz DKUSEJZYUOHXHG-UHFFFAOYSA-N 1 0 383.431 1.976 20 0 GDADRO O=C(NCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)c1nccs1 ZINC001571233823 953196203 /nfs/dbraw/zinc/19/62/03/953196203.db2.gz FKTPLIHJJUVXJG-UHFFFAOYSA-N 1 0 383.481 1.965 20 0 GDADRO C[C@H]1CN(C(=O)c2n[nH]cc2F)CC[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571238996 953234851 /nfs/dbraw/zinc/23/48/51/953234851.db2.gz DULXGKKGIVOMJW-NHYWBVRUSA-N 1 0 384.419 1.369 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1n[nH]cc1F ZINC001571239979 953244339 /nfs/dbraw/zinc/24/43/39/953244339.db2.gz WNHQOOYNCSOUDU-RISCZKNCSA-N 1 0 384.419 1.512 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@H]1C ZINC001571240056 953245259 /nfs/dbraw/zinc/24/52/59/953245259.db2.gz YOIGGYDLYVHQBB-IAQYHMDHSA-N 1 0 384.419 1.430 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1)c1cn[nH]c1 ZINC001571241457 953246152 /nfs/dbraw/zinc/24/61/52/953246152.db2.gz ABHYBGLOVZAHPZ-HNNXBMFYSA-N 1 0 384.419 1.513 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(CCF)c1 ZINC001571241519 953247419 /nfs/dbraw/zinc/24/74/19/953247419.db2.gz BVMZUADHCAPSAU-OAHLLOKOSA-N 1 0 384.419 1.037 20 0 GDADRO Cc1cc(N(C)C[C@H]2CCCN2C(=O)c2cc(F)c[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571241873 953250910 /nfs/dbraw/zinc/25/09/10/953250910.db2.gz OESAWTQMDWNROG-CYBMUJFWSA-N 1 0 384.419 1.778 20 0 GDADRO Cc1ncsc1C(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571244538 953263988 /nfs/dbraw/zinc/26/39/88/953263988.db2.gz AKIPHOCAXBDGTA-QGZVFWFLSA-N 1 0 384.469 1.734 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571244894 953268419 /nfs/dbraw/zinc/26/84/19/953268419.db2.gz LJEKTANNXYDPMD-LBPRGKRZSA-N 1 0 384.469 1.312 20 0 GDADRO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@H]2C)o1 ZINC001571247581 953283161 /nfs/dbraw/zinc/28/31/61/953283161.db2.gz ARCPZZDAIXCWTG-RISCZKNCSA-N 1 0 384.444 1.379 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)on1 ZINC001571247569 953283463 /nfs/dbraw/zinc/28/34/63/953283463.db2.gz ARCKENNLSBBFPD-BDJLRTHQSA-N 1 0 384.444 1.522 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)COC1CCCC1 ZINC001571247894 953287125 /nfs/dbraw/zinc/28/71/25/953287125.db2.gz HUECHFDCTWUETC-KBXCAEBGSA-N 1 0 384.484 1.905 20 0 GDADRO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCCO1 ZINC001571247891 953287632 /nfs/dbraw/zinc/28/76/32/953287632.db2.gz HPMCSRXAWGGMKC-UWWQBHOKSA-N 1 0 384.484 1.620 20 0 GDADRO COC1CC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248238 953291258 /nfs/dbraw/zinc/29/12/58/953291258.db2.gz OKXHSMBHGINMOJ-CGZBRXJRSA-N 1 0 384.484 1.715 20 0 GDADRO C[C@H]1OCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571248239 953291467 /nfs/dbraw/zinc/29/14/67/953291467.db2.gz OMEIUTJEYJNEMV-PBHICJAKSA-N 1 0 384.484 1.762 20 0 GDADRO Cc1ncsc1C(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571248447 953293588 /nfs/dbraw/zinc/29/35/88/953293588.db2.gz UEQOQJGUOSOSFJ-HAQNSBGRSA-N 1 0 384.469 1.602 20 0 GDADRO Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571248574 953294977 /nfs/dbraw/zinc/29/49/77/953294977.db2.gz GXICLPOETSNFQV-BZNIZROVSA-N 1 0 384.444 1.664 20 0 GDADRO C[C@@H]1CO[C@H](C(=O)N2CCC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001571248731 953296785 /nfs/dbraw/zinc/29/67/85/953296785.db2.gz YJCLNCFSQHDVLZ-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO O=C(Cc1cc[nH]n1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001571248743 953297510 /nfs/dbraw/zinc/29/75/10/953297510.db2.gz YYCHFPCYAQKAON-XBFCOCLRSA-N 1 0 384.469 1.116 20 0 GDADRO Cc1nocc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571248936 953298445 /nfs/dbraw/zinc/29/84/45/953298445.db2.gz MHTFHBFJIFQQFT-BLLLJJGKSA-N 1 0 384.444 1.664 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCC1 ZINC001571249018 953299699 /nfs/dbraw/zinc/29/96/99/953299699.db2.gz AWYACZKVBYHVHH-HNNXBMFYSA-N 1 0 384.488 1.539 20 0 GDADRO Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)oc1C ZINC001571249357 953304254 /nfs/dbraw/zinc/30/42/54/953304254.db2.gz OVPKTAIBLMLVQV-JSGCOSHPSA-N 1 0 384.444 1.488 20 0 GDADRO O=C(CC[C@@H]1CCCCO1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571249780 953307253 /nfs/dbraw/zinc/30/72/53/953307253.db2.gz LZXUTJSGWRVOIJ-MSOLQXFVSA-N 1 0 384.484 1.907 20 0 GDADRO C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001571250186 953308872 /nfs/dbraw/zinc/30/88/72/953308872.db2.gz NYVIVLBAADYVSH-HOCLYGCPSA-N 1 0 384.488 1.252 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC001571252045 953322898 /nfs/dbraw/zinc/32/28/98/953322898.db2.gz GEPRJPSIQYMUND-HOCLYGCPSA-N 1 0 384.488 1.456 20 0 GDADRO CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001571252445 953328573 /nfs/dbraw/zinc/32/85/73/953328573.db2.gz MURHOROZDGQQIP-KRWDZBQOSA-N 1 0 384.488 1.173 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)N2CCC(CCNc3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001571252529 953329633 /nfs/dbraw/zinc/32/96/33/953329633.db2.gz OTGKZOMBPVULMV-HNNXBMFYSA-N 1 0 384.488 1.254 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252729 953331610 /nfs/dbraw/zinc/33/16/10/953331610.db2.gz VFKZZHMUBGPPHW-HOTGVXAUSA-N 1 0 384.488 1.079 20 0 GDADRO O=C(c1cccc(F)c1F)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571255141 953346068 /nfs/dbraw/zinc/34/60/68/953346068.db2.gz JEBQLCIHLMBARX-NSHDSACASA-N 1 0 385.378 1.679 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1ccon1 ZINC001571255457 953350125 /nfs/dbraw/zinc/35/01/25/953350125.db2.gz QGDXRWVHAXHIJQ-ZDUSSCGKSA-N 1 0 385.403 1.636 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ccon1 ZINC001571255685 953353129 /nfs/dbraw/zinc/35/31/29/953353129.db2.gz RZKPEJMUTVIEFR-GFCCVEGCSA-N 1 0 385.403 1.636 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000868447274 956019024 /nfs/dbraw/zinc/01/90/24/956019024.db2.gz LQCHTBCFVQGNBE-UHFFFAOYSA-N 1 0 388.512 1.254 20 0 GDADRO C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000874399407 956156678 /nfs/dbraw/zinc/15/66/78/956156678.db2.gz YPVUWMYTHYRVSV-WMZOPIPTSA-N 1 0 388.512 1.745 20 0 GDADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)[NH+](C)C ZINC000874401404 956161173 /nfs/dbraw/zinc/16/11/73/956161173.db2.gz KBXOASHJXSQDCN-KXBFYZLASA-N 1 0 376.501 1.834 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)[C@@H]1c1cccs1 ZINC001332348857 957756070 /nfs/dbraw/zinc/75/60/70/957756070.db2.gz USEHUTGGZKRWJE-KBXCAEBGSA-N 1 0 394.541 1.979 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001119042793 969669752 /nfs/dbraw/zinc/66/97/52/969669752.db2.gz XBAHUIIUBGZKKX-UHFFFAOYSA-N 1 0 388.512 1.542 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001594515286 985870892 /nfs/dbraw/zinc/87/08/92/985870892.db2.gz NSRNMCZYGZQWCN-AZUAARDMSA-N 1 0 387.524 1.949 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001598225215 990913216 /nfs/dbraw/zinc/91/32/16/990913216.db2.gz DRUWBPBHYBHMQG-LBPRGKRZSA-N 1 0 383.518 1.290 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001598225606 990916744 /nfs/dbraw/zinc/91/67/44/990916744.db2.gz OARLWSHEZDCOLE-UHFFFAOYSA-N 1 0 388.415 1.943 20 0 GDADRO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC001598616198 993885178 /nfs/dbraw/zinc/88/51/78/993885178.db2.gz BVGJZFAEFUQFRQ-UHFFFAOYSA-N 1 0 383.876 1.245 20 0 GDADRO C[C@@H](Oc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C(=O)[O-] ZINC001593647925 995994479 /nfs/dbraw/zinc/99/44/79/995994479.db2.gz DTFMURAWFNXNMP-MRXNPFEDSA-N 1 0 384.480 1.975 20 0 GDADRO C[C@]1(C(=O)[O-])CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001593770181 996458235 /nfs/dbraw/zinc/45/82/35/996458235.db2.gz XJDCWLDLVCZDQO-FQEVSTJZSA-N 1 0 389.500 1.490 20 0 GDADRO COc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)cc(OC)c1OCC(N)=O ZINC000557799955 1126097084 /nfs/dbraw/zinc/09/70/84/1126097084.db2.gz IUCPAJUGJDCHHL-UHFFFAOYSA-N 1 0 386.448 1.187 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)cc1 ZINC000931601628 1126135586 /nfs/dbraw/zinc/13/55/86/1126135586.db2.gz SNNAXZHZQJUPKC-LJQANCHMSA-N 1 0 378.494 1.687 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)cc1 ZINC000933424868 1126138140 /nfs/dbraw/zinc/13/81/40/1126138140.db2.gz FFDOXQXOOCDNJT-SFHVURJKSA-N 1 0 382.482 1.622 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccc(S(N)(=O)=O)c2)cc1OC ZINC001474697638 1126204919 /nfs/dbraw/zinc/20/49/19/1126204919.db2.gz AEYSSXCZBPIAKY-LJQANCHMSA-N 1 0 394.493 1.435 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)s1 ZINC000159180664 530541444 /nfs/dbraw/zinc/54/14/44/530541444.db2.gz AXTGMNSWZRHWKV-YPMHNXCESA-N 1 0 386.543 1.259 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159264194 530541582 /nfs/dbraw/zinc/54/15/82/530541582.db2.gz CTNLBZSPBAOHNQ-TXEJJXNPSA-N 1 0 392.253 1.398 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1Br ZINC000161514532 530561593 /nfs/dbraw/zinc/56/15/93/530561593.db2.gz WHYCDGHQPBJIJA-CYBMUJFWSA-N 1 0 381.292 1.049 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000161597895 530562356 /nfs/dbraw/zinc/56/23/56/530562356.db2.gz ZGNPYBYXKFLPHM-ZDUSSCGKSA-N 1 0 387.933 1.956 20 0 GDADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1ccc(Br)nc1)C2 ZINC000162168427 530566573 /nfs/dbraw/zinc/56/65/73/530566573.db2.gz NBUPUPJCMKPENS-YHWZYXNKSA-N 1 0 381.274 1.914 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000162332707 530566941 /nfs/dbraw/zinc/56/69/41/530566941.db2.gz HACDYTDKHMEGGH-ZIAGYGMSSA-N 1 0 389.315 1.750 20 0 GDADRO CSCC[C@@H]([NH3+])C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000166851790 530583478 /nfs/dbraw/zinc/58/34/78/530583478.db2.gz RZFSAWOJYLKVMW-OAHLLOKOSA-N 1 0 384.933 1.185 20 0 GDADRO Cc1c(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000163025695 530572924 /nfs/dbraw/zinc/57/29/24/530572924.db2.gz NGMALSKSQWRLHE-QMTHXVAHSA-N 1 0 394.273 1.526 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(I)c(F)c2)CCO1 ZINC000163261740 530575083 /nfs/dbraw/zinc/57/50/83/530575083.db2.gz ZUOMNGBHQSGNQG-PRHODGIISA-N 1 0 378.185 1.619 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000163660298 530577033 /nfs/dbraw/zinc/57/70/33/530577033.db2.gz YIGBLBQZOJQTDB-UHFFFAOYSA-N 1 0 391.896 1.978 20 0 GDADRO O=C(CSc1nnnn1Cc1cccs1)NC1CC[NH+](C2CC2)CC1 ZINC000028180307 530591320 /nfs/dbraw/zinc/59/13/20/530591320.db2.gz MQPQUEADUOJZHN-UHFFFAOYSA-N 1 0 378.527 1.618 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000170924084 530591811 /nfs/dbraw/zinc/59/18/11/530591811.db2.gz DNXGFFFIPXGIGG-LBPRGKRZSA-N 1 0 384.274 1.859 20 0 GDADRO CC(C)(O)C[NH+]1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000171152128 530595199 /nfs/dbraw/zinc/59/51/99/530595199.db2.gz IULKUYMPKUNHJQ-HNNXBMFYSA-N 1 0 387.318 1.577 20 0 GDADRO CC[NH+]1CCC(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000029607315 530596052 /nfs/dbraw/zinc/59/60/52/530596052.db2.gz PKUWEPWJJVBFGP-UHFFFAOYSA-N 1 0 394.269 1.646 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Br)c1C ZINC000171227377 530596209 /nfs/dbraw/zinc/59/62/09/530596209.db2.gz FKRSUASUMQUQBG-UHFFFAOYSA-N 1 0 386.290 1.781 20 0 GDADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000029912472 530596658 /nfs/dbraw/zinc/59/66/58/530596658.db2.gz XCQUKJYPASHINL-UHFFFAOYSA-N 1 0 385.917 1.657 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(Br)s1 ZINC000171715117 530601883 /nfs/dbraw/zinc/60/18/83/530601883.db2.gz IPZNUYZHCCHYLA-NSHDSACASA-N 1 0 375.336 1.946 20 0 GDADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000173113626 530623755 /nfs/dbraw/zinc/62/37/55/530623755.db2.gz CBMKYEGYBZANHV-UHFFFAOYSA-N 1 0 384.274 1.322 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000041719779 530623932 /nfs/dbraw/zinc/62/39/32/530623932.db2.gz SWAKDODWFWLGJX-UHFFFAOYSA-N 1 0 397.317 1.531 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)c(Br)c1 ZINC000041785172 530624152 /nfs/dbraw/zinc/62/41/52/530624152.db2.gz WKMCBXPULBUTMJ-UHFFFAOYSA-N 1 0 398.301 1.925 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(C)(C)[NH+](C)C ZINC000042158500 530627247 /nfs/dbraw/zinc/62/72/47/530627247.db2.gz LNGOXIVCBXYIQJ-OAHLLOKOSA-N 1 0 387.571 1.543 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173276617 530628098 /nfs/dbraw/zinc/62/80/98/530628098.db2.gz VFPZOZDBGURRDI-AWEZNQCLSA-N 1 0 385.555 1.993 20 0 GDADRO CC(C)[C@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)[NH+]1CCN(C)CC1 ZINC000173707059 530635494 /nfs/dbraw/zinc/63/54/94/530635494.db2.gz LNHOBRXLIINCNI-AWEZNQCLSA-N 1 0 385.306 1.139 20 0 GDADRO COc1ccc(Br)cc1CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000173828135 530638000 /nfs/dbraw/zinc/63/80/00/530638000.db2.gz JXXCBZICNJAYKF-UHFFFAOYSA-N 1 0 385.302 1.963 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000174122455 530644167 /nfs/dbraw/zinc/64/41/67/530644167.db2.gz NZRUPCXTJXHDES-ZFWWWQNUSA-N 1 0 387.933 1.950 20 0 GDADRO O=C1C[C@H]([NH2+]Cc2cccc(Br)c2)CN1CCN1CCOCC1 ZINC000172698101 530616846 /nfs/dbraw/zinc/61/68/46/530616846.db2.gz IXIMCIQKBXHAJK-INIZCTEOSA-N 1 0 382.302 1.472 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(I)cc1 ZINC000038050310 530616860 /nfs/dbraw/zinc/61/68/60/530616860.db2.gz PCOHICQDRLBOIP-VXGBXAGGSA-N 1 0 380.251 1.839 20 0 GDADRO O=C1C[C@@H]([NH2+]Cc2ccc(Br)cc2)CN1CCN1CCOCC1 ZINC000172697397 530616970 /nfs/dbraw/zinc/61/69/70/530616970.db2.gz RREDPPRFENTDQF-MRXNPFEDSA-N 1 0 382.302 1.472 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000172725614 530617048 /nfs/dbraw/zinc/61/70/48/530617048.db2.gz SXUXOJQHMLEWQN-MISXGVKJSA-N 1 0 389.315 1.792 20 0 GDADRO O=S1(=O)CC[C@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000037982323 530617168 /nfs/dbraw/zinc/61/71/68/530617168.db2.gz GDANUJLOWNTBHJ-DGCLKSJQSA-N 1 0 378.288 1.213 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000176257608 530680107 /nfs/dbraw/zinc/68/01/07/530680107.db2.gz YGWXZDQKBSQNFS-UHFFFAOYSA-N 1 0 381.523 1.741 20 0 GDADRO CNS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000176256915 530680385 /nfs/dbraw/zinc/68/03/85/530680385.db2.gz CIEZINLSEXVAQH-UHFFFAOYSA-N 1 0 381.523 1.860 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)N(C)CC[NH+](C)C)cc1Br ZINC000176375550 530682692 /nfs/dbraw/zinc/68/26/92/530682692.db2.gz OXCJOFJEYJVIJR-UHFFFAOYSA-N 1 0 392.319 1.333 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000046762674 530653651 /nfs/dbraw/zinc/65/36/51/530653651.db2.gz HNYLGDQIDPMWEI-IYBDPMFKSA-N 1 0 376.567 1.325 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000175083637 530658621 /nfs/dbraw/zinc/65/86/21/530658621.db2.gz LFVMBZXXJGWTSU-NWDGAFQWSA-N 1 0 394.946 1.895 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000175243527 530662215 /nfs/dbraw/zinc/66/22/15/530662215.db2.gz PNISCUUPSYZEHQ-UHFFFAOYSA-N 1 0 386.290 1.781 20 0 GDADRO Cc1ccc(C[NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)s1 ZINC000048783891 530671239 /nfs/dbraw/zinc/67/12/39/530671239.db2.gz WYJFHTHLWDUOIQ-UHFFFAOYSA-N 1 0 380.539 1.693 20 0 GDADRO COc1nc(N2CCN(CC[NH+]3CCCCC3)CC2)ncc1Br ZINC000175868074 530672029 /nfs/dbraw/zinc/67/20/29/530672029.db2.gz DQFKXHPALPODTH-UHFFFAOYSA-N 1 0 384.322 1.856 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3ncc(I)n3c2)C1 ZINC000176100290 530676972 /nfs/dbraw/zinc/67/69/72/530676972.db2.gz LGVPCICHEAYFRP-JTQLQIEISA-N 1 0 384.221 1.620 20 0 GDADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(CCNC(C)=O)s2)CC1 ZINC000052460403 530685270 /nfs/dbraw/zinc/68/52/70/530685270.db2.gz FOSMNHLIEOUMEZ-UHFFFAOYSA-N 1 0 387.571 1.922 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cnc1N(C)C ZINC000176862050 530692920 /nfs/dbraw/zinc/69/29/20/530692920.db2.gz MFURDQOFBBMHTJ-ZDUSSCGKSA-N 1 0 387.322 1.997 20 0 GDADRO Cc1cc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)sc1Br ZINC000176909172 530693819 /nfs/dbraw/zinc/69/38/19/530693819.db2.gz VSSFRPFFTFMHNQ-LLVKDONJSA-N 1 0 396.376 1.733 20 0 GDADRO Cc1cc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)sc1Br ZINC000176909157 530693918 /nfs/dbraw/zinc/69/39/18/530693918.db2.gz VSSFRPFFTFMHNQ-NSHDSACASA-N 1 0 396.376 1.733 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000177568663 530706292 /nfs/dbraw/zinc/70/62/92/530706292.db2.gz JCCVOSXVZDOEQI-GFCCVEGCSA-N 1 0 383.290 1.140 20 0 GDADRO C[NH+](C)CCCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000055291668 530707685 /nfs/dbraw/zinc/70/76/85/530707685.db2.gz VXBYQURUWHEREY-UHFFFAOYSA-N 1 0 381.274 1.617 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000177666274 530708676 /nfs/dbraw/zinc/70/86/76/530708676.db2.gz WUFBHNVEXWSAQE-UHFFFAOYSA-N 1 0 391.331 1.984 20 0 GDADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000055757937 530711573 /nfs/dbraw/zinc/71/15/73/530711573.db2.gz XSUPRDYDZFFICF-QLFBSQMISA-N 1 0 387.571 1.899 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000177968451 530713715 /nfs/dbraw/zinc/71/37/15/530713715.db2.gz XOVGMBCJCJOFDD-UHFFFAOYSA-N 1 0 375.267 1.190 20 0 GDADRO CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000179117137 530735739 /nfs/dbraw/zinc/73/57/39/530735739.db2.gz UPLIRTYBMBAYFT-CQSZACIVSA-N 1 0 385.917 1.949 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCCC2)ccc1Cl ZINC000061548147 530740955 /nfs/dbraw/zinc/74/09/55/530740955.db2.gz NTWIXJPLBLXSDV-UHFFFAOYSA-N 1 0 389.905 1.738 20 0 GDADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000061792818 530742227 /nfs/dbraw/zinc/74/22/27/530742227.db2.gz GXVDZKNSDFQLQC-MRXNPFEDSA-N 1 0 383.539 1.587 20 0 GDADRO C[NH+](C)CCn1nnnc1SCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000062694838 530743970 /nfs/dbraw/zinc/74/39/70/530743970.db2.gz INZUZDIFOGUVQB-UHFFFAOYSA-N 1 0 385.515 1.199 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000178628501 530724982 /nfs/dbraw/zinc/72/49/82/530724982.db2.gz BNWNXBLFWHEUHR-VIFPVBQESA-N 1 0 378.292 1.167 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000178691604 530725580 /nfs/dbraw/zinc/72/55/80/530725580.db2.gz VVRGQBVWFSVLBN-JTQLQIEISA-N 1 0 377.304 1.855 20 0 GDADRO O[C@@H](Cn1cccn1)C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000178716681 530726208 /nfs/dbraw/zinc/72/62/08/530726208.db2.gz ZAHJPYHOCBAIJO-OAHLLOKOSA-N 1 0 397.292 1.963 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)NC[C@@H]3CCC[NH2+]3)CC2=O)ccc1Br ZINC000178757207 530727199 /nfs/dbraw/zinc/72/71/99/530727199.db2.gz VZRFUEDFPORSFJ-OLZOCXBDSA-N 1 0 380.286 1.979 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc(Br)c2)n1 ZINC000178819798 530729080 /nfs/dbraw/zinc/72/90/80/530729080.db2.gz LGFGWMDSRBKTMM-UHFFFAOYSA-N 1 0 394.273 1.462 20 0 GDADRO CCCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@H]1CC[NH2+]C1 ZINC000178897633 530729871 /nfs/dbraw/zinc/72/98/71/530729871.db2.gz TXBCTBPVKVMWMR-ZDUSSCGKSA-N 1 0 393.285 1.760 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Br)c(OC)cc2OC)C1 ZINC000178943074 530731168 /nfs/dbraw/zinc/73/11/68/530731168.db2.gz VHCSLGAIKXOXMX-SNVBAGLBSA-N 1 0 393.303 1.696 20 0 GDADRO CN(C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[C@@H]1CC[NH2+]C1 ZINC000179060405 530735105 /nfs/dbraw/zinc/73/51/05/530735105.db2.gz FCROVCVJYJGYSI-CQSZACIVSA-N 1 0 379.507 1.661 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Br)n1 ZINC000179815440 530750685 /nfs/dbraw/zinc/75/06/85/530750685.db2.gz QGWSVSWBRGTKRH-NEPJUHHUSA-N 1 0 381.274 1.786 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179897133 530752256 /nfs/dbraw/zinc/75/22/56/530752256.db2.gz LZZNOEORCUNTMZ-UHFFFAOYSA-N 1 0 388.964 1.815 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cnn2cc(Br)cnc12 ZINC000179875329 530752384 /nfs/dbraw/zinc/75/23/84/530752384.db2.gz IMGRUGMYYMDCOJ-LBPRGKRZSA-N 1 0 382.262 1.068 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000180020168 530754966 /nfs/dbraw/zinc/75/49/66/530754966.db2.gz GWOAJSSSJYKTPK-CVEARBPZSA-N 1 0 380.576 1.382 20 0 GDADRO C[NH+](C)Cc1ccccc1CNC(=O)c1nc2ncc(Br)cn2n1 ZINC000065624637 530755251 /nfs/dbraw/zinc/75/52/51/530755251.db2.gz ZAOBIOOFQVIMEZ-UHFFFAOYSA-N 1 0 389.257 1.878 20 0 GDADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000179642627 530746568 /nfs/dbraw/zinc/74/65/68/530746568.db2.gz LRYFUPKDJOQSSE-UHFFFAOYSA-N 1 0 387.933 1.727 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000063865741 530747852 /nfs/dbraw/zinc/74/78/52/530747852.db2.gz JIYLKTBKIPFBFV-CQSZACIVSA-N 1 0 385.555 1.994 20 0 GDADRO C[N@H+](CCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000066924494 530770012 /nfs/dbraw/zinc/77/00/12/530770012.db2.gz DERCDERHUVOJJL-UHFFFAOYSA-N 1 0 394.324 1.872 20 0 GDADRO CN(CCCNC(=O)C[NH2+]C(C)(C)c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000180879548 530773648 /nfs/dbraw/zinc/77/36/48/530773648.db2.gz VSDACGCQLAOSAW-UHFFFAOYSA-N 1 0 377.457 1.187 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)CC(C)C ZINC000067622590 530777638 /nfs/dbraw/zinc/77/76/38/530777638.db2.gz ZDBGVZTXRDNEJK-HZPDHXFCSA-N 1 0 376.567 1.466 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2nnc(C(F)F)n2C)C1 ZINC000181290024 530780856 /nfs/dbraw/zinc/78/08/56/530780856.db2.gz DQOVICZOMXIJNB-NSHDSACASA-N 1 0 377.461 1.318 20 0 GDADRO Cn1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc(Br)c1=O ZINC000181382756 530782348 /nfs/dbraw/zinc/78/23/48/530782348.db2.gz PKLWYXKLPVTOBO-UHFFFAOYSA-N 1 0 399.289 1.079 20 0 GDADRO C[C@H](CNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000068064583 530782471 /nfs/dbraw/zinc/78/24/71/530782471.db2.gz MJRXBIHLRLWCIZ-LLVKDONJSA-N 1 0 392.319 1.184 20 0 GDADRO O=S(=O)(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)nc1 ZINC000181473317 530784436 /nfs/dbraw/zinc/78/44/36/530784436.db2.gz JXBBUTMNTIMYDL-OAHLLOKOSA-N 1 0 381.885 1.780 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000181532631 530785836 /nfs/dbraw/zinc/78/58/36/530785836.db2.gz LLXWMAGKLHYOME-SNVBAGLBSA-N 1 0 393.332 1.664 20 0 GDADRO NC(=O)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000069876142 530800348 /nfs/dbraw/zinc/80/03/48/530800348.db2.gz AVSRYLHHDXJRGA-UHFFFAOYSA-N 1 0 379.404 1.437 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000182740126 530804199 /nfs/dbraw/zinc/80/41/99/530804199.db2.gz PUQIJSGQNLXCIN-ZFWWWQNUSA-N 1 0 388.917 1.719 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCNc1cccc(Br)c1 ZINC000182742608 530804286 /nfs/dbraw/zinc/80/42/86/530804286.db2.gz LQOZGFQUTACQTH-CQSZACIVSA-N 1 0 398.349 1.796 20 0 GDADRO C[C@H](NC(=O)CNS(=O)(=O)c1cccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182842929 530805844 /nfs/dbraw/zinc/80/58/44/530805844.db2.gz DTQFOIXNNFUWTE-KBPBESRZSA-N 1 0 385.555 1.796 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000068486900 530788806 /nfs/dbraw/zinc/78/88/06/530788806.db2.gz RDNGEILUQFHSEO-ZDUSSCGKSA-N 1 0 396.285 1.727 20 0 GDADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000181861089 530791999 /nfs/dbraw/zinc/79/19/99/530791999.db2.gz HKMUCAFVJAWJCU-ZDUSSCGKSA-N 1 0 390.347 1.887 20 0 GDADRO CN(C)C(=O)N1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000181929969 530792680 /nfs/dbraw/zinc/79/26/80/530792680.db2.gz DKENCXCBGSITOL-UHFFFAOYSA-N 1 0 394.950 1.415 20 0 GDADRO NC(=O)C[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)C1CCOCC1 ZINC000181964321 530793052 /nfs/dbraw/zinc/79/30/52/530793052.db2.gz OBNBKLGWMXENMW-SNVBAGLBSA-N 1 0 399.245 1.852 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)cc1Br ZINC000182066162 530794057 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GDADRO O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000184942123 530834910 /nfs/dbraw/zinc/83/49/10/530834910.db2.gz AUGHWVAPORQOBV-ZDUSSCGKSA-N 1 0 380.436 1.942 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@@H](C)O1 ZINC000080787933 530808202 /nfs/dbraw/zinc/80/82/02/530808202.db2.gz ZXQYPUIWJXMZQL-IOASZLSFSA-N 1 0 375.922 1.886 20 0 GDADRO CCCCS(=O)(=O)NCC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000090012992 530808893 /nfs/dbraw/zinc/80/88/93/530808893.db2.gz ANNKGNZHTSWDBG-OAHLLOKOSA-N 1 0 375.922 1.778 20 0 GDADRO C[C@H](NC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)C(C)(C)C[NH+](C)C ZINC000085423119 530808916 /nfs/dbraw/zinc/80/89/16/530808916.db2.gz RJZQIEPOYMHJCO-GJZGRUSLSA-N 1 0 376.567 1.466 20 0 GDADRO COc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)nc1Br ZINC000183118900 530809203 /nfs/dbraw/zinc/80/92/03/530809203.db2.gz ZYHQDULSUZBRFA-GFCCVEGCSA-N 1 0 385.306 1.466 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000183197282 530811452 /nfs/dbraw/zinc/81/14/52/530811452.db2.gz CWEZLYDXJJBJLL-HNNXBMFYSA-N 1 0 388.555 1.500 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)s1 ZINC000183294730 530812833 /nfs/dbraw/zinc/81/28/33/530812833.db2.gz BMDHRTWRFUKMMO-CQSZACIVSA-N 1 0 387.571 1.970 20 0 GDADRO COc1sc(C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1Br ZINC000093583255 530813878 /nfs/dbraw/zinc/81/38/78/530813878.db2.gz BCRILOIXRUWRJB-NSHDSACASA-N 1 0 379.320 1.644 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2cnn3cc(Br)cnc23)cn1 ZINC000094081170 530815657 /nfs/dbraw/zinc/81/56/57/530815657.db2.gz SPNKPEQICJUOMS-UHFFFAOYSA-N 1 0 378.234 1.502 20 0 GDADRO CC(C)c1cnc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)s1 ZINC000183812488 530820729 /nfs/dbraw/zinc/82/07/29/530820729.db2.gz SIRFKEYHUHFANF-UHFFFAOYSA-N 1 0 383.543 1.943 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000183981561 530822715 /nfs/dbraw/zinc/82/27/15/530822715.db2.gz OSNOBYYUKCHJLN-UHFFFAOYSA-N 1 0 383.905 1.443 20 0 GDADRO COCC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@H](C)C(N)=O ZINC000106313018 530847389 /nfs/dbraw/zinc/84/73/89/530847389.db2.gz PGCRZUZTZDERCI-SNVBAGLBSA-N 1 0 390.253 1.739 20 0 GDADRO NC(=O)[C@H]1CCCN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000106382143 530848241 /nfs/dbraw/zinc/84/82/41/530848241.db2.gz LAXUDKKLLYAYPV-ZYHUDNBSSA-N 1 0 377.666 1.792 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCc1ccc(Br)s1 ZINC000106523984 530848899 /nfs/dbraw/zinc/84/88/99/530848899.db2.gz SUBLGTBOXOONSD-LBPRGKRZSA-N 1 0 389.363 1.988 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000185928885 530849072 /nfs/dbraw/zinc/84/90/72/530849072.db2.gz KQISDTVINLMDLB-AWEZNQCLSA-N 1 0 382.302 1.660 20 0 GDADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000186030149 530850472 /nfs/dbraw/zinc/85/04/72/530850472.db2.gz HAJBJNMCKUFSDW-DLBZAZTESA-N 1 0 386.539 1.672 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000106895186 530851012 /nfs/dbraw/zinc/85/10/12/530851012.db2.gz UCWKABQYLPWMCD-CYBMUJFWSA-N 1 0 392.928 1.381 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000186313537 530855306 /nfs/dbraw/zinc/85/53/06/530855306.db2.gz BVNLLBLTLSDLPB-UHFFFAOYSA-N 1 0 388.555 1.833 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)C1CCS(=O)(=O)CC1 ZINC000187552023 530874759 /nfs/dbraw/zinc/87/47/59/530874759.db2.gz XNVPOWJCGXVUJX-CQSZACIVSA-N 1 0 386.539 1.529 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000186683681 530860256 /nfs/dbraw/zinc/86/02/56/530860256.db2.gz KNYIXZMBQGAUOD-ZWNOBZJWSA-N 1 0 379.404 1.098 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)s2)CC1 ZINC000186759025 530861451 /nfs/dbraw/zinc/86/14/51/530861451.db2.gz UILISFUWMBKFFE-UONOGXRCSA-N 1 0 385.555 1.897 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000186747145 530861498 /nfs/dbraw/zinc/86/14/98/530861498.db2.gz VOLSGYUHCUETOC-GWCFXTLKSA-N 1 0 394.324 1.776 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000186793114 530862333 /nfs/dbraw/zinc/86/23/33/530862333.db2.gz NBSUYIVUZCPASU-JQWIXIFHSA-N 1 0 382.258 1.289 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)CC1(CO)CC1 ZINC000186794692 530862900 /nfs/dbraw/zinc/86/29/00/530862900.db2.gz XNMTVIRMMGHEQM-UHFFFAOYSA-N 1 0 385.302 1.991 20 0 GDADRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000186874434 530863634 /nfs/dbraw/zinc/86/36/34/530863634.db2.gz YDFSMRYHIWLCTQ-AWEZNQCLSA-N 1 0 376.544 1.802 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)CNC(=O)c2cccc(Br)c2)cn1 ZINC000109537691 530863670 /nfs/dbraw/zinc/86/36/70/530863670.db2.gz RZWLCKZKMLPALV-UHFFFAOYSA-N 1 0 394.273 1.576 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCCNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000109699308 530864102 /nfs/dbraw/zinc/86/41/02/530864102.db2.gz XVKQDHLMIJXMSM-OAHLLOKOSA-N 1 0 398.301 1.788 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccsc1 ZINC000186928400 530864550 /nfs/dbraw/zinc/86/45/50/530864550.db2.gz HMKHSOSZGITFKA-CQSZACIVSA-N 1 0 382.511 1.603 20 0 GDADRO CNC(=O)NC(=O)CC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000110965819 530871406 /nfs/dbraw/zinc/87/14/06/530871406.db2.gz PVSQAKCGRZXGCB-UHFFFAOYSA-N 1 0 376.226 1.228 20 0 GDADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185288563 530839508 /nfs/dbraw/zinc/83/95/08/530839508.db2.gz GGPYDXFIBOYQQK-IAGOWNOFSA-N 1 0 386.539 1.672 20 0 GDADRO CC[NH+]1CCC(N(C)C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000105599362 530843885 /nfs/dbraw/zinc/84/38/85/530843885.db2.gz ISKHVVYQICMZAM-UHFFFAOYSA-N 1 0 379.935 1.623 20 0 GDADRO CCS(=O)(=O)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188722201 530899488 /nfs/dbraw/zinc/89/94/88/530899488.db2.gz QBFZRQZUZRLILG-UHFFFAOYSA-N 1 0 391.331 1.810 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000115436049 530899560 /nfs/dbraw/zinc/89/95/60/530899560.db2.gz GFJSKZMMXUPXAF-CQSZACIVSA-N 1 0 385.555 1.946 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(I)c[nH]1 ZINC000115370997 530899640 /nfs/dbraw/zinc/89/96/40/530899640.db2.gz NVQFSFZDINXGDF-GFCCVEGCSA-N 1 0 391.253 1.802 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)c1ccccc1Cl ZINC000115871329 530902009 /nfs/dbraw/zinc/90/20/09/530902009.db2.gz FPALMIMVURADQT-WFASDCNBSA-N 1 0 375.922 1.777 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(I)cc2)C1 ZINC000115902507 530902624 /nfs/dbraw/zinc/90/26/24/530902624.db2.gz PROZYSZLQHULIS-CYBMUJFWSA-N 1 0 387.265 1.578 20 0 GDADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC000116372681 530904542 /nfs/dbraw/zinc/90/45/42/530904542.db2.gz FHIXBJXVWNMDGJ-OAHLLOKOSA-N 1 0 376.544 1.735 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc(OC)ccc2Cl)CC1 ZINC000189118575 530908156 /nfs/dbraw/zinc/90/81/56/530908156.db2.gz LJQVANKQTANQSN-ZDUSSCGKSA-N 1 0 375.922 1.653 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000189119057 530908486 /nfs/dbraw/zinc/90/84/86/530908486.db2.gz VRTTVCRUBZDQHV-GFCCVEGCSA-N 1 0 380.436 1.405 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(Br)sc2C)CC1 ZINC000189124899 530908525 /nfs/dbraw/zinc/90/85/25/530908525.db2.gz SDKAJIHESANABH-UHFFFAOYSA-N 1 0 396.376 1.735 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000187889473 530879829 /nfs/dbraw/zinc/87/98/29/530879829.db2.gz RDBGSECGQBBHGN-WCQYABFASA-N 1 0 388.331 1.532 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000188039140 530883532 /nfs/dbraw/zinc/88/35/32/530883532.db2.gz ZOLDLOQEWGPDDL-UHFFFAOYSA-N 1 0 399.289 1.007 20 0 GDADRO Cn1cc(CCC[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cn1 ZINC000112703437 530883981 /nfs/dbraw/zinc/88/39/81/530883981.db2.gz IOSGECMNPPQCBX-UHFFFAOYSA-N 1 0 382.452 1.641 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000112742190 530884973 /nfs/dbraw/zinc/88/49/73/530884973.db2.gz DGMVMIHKFCBHKB-UHFFFAOYSA-N 1 0 388.921 1.356 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2csc(I)c2)CC1 ZINC000113428001 530890067 /nfs/dbraw/zinc/89/00/67/530890067.db2.gz JALVIRZJQINUDL-UHFFFAOYSA-N 1 0 393.294 1.672 20 0 GDADRO C[NH+](C)C1(CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CCOCC1 ZINC000113990891 530892526 /nfs/dbraw/zinc/89/25/26/530892526.db2.gz PJUGMMRHIZXGJP-UHFFFAOYSA-N 1 0 388.295 1.950 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CC[NH2+]1 ZINC000188376393 530893229 /nfs/dbraw/zinc/89/32/29/530893229.db2.gz WHOWYULWAQEKNQ-CYBMUJFWSA-N 1 0 379.507 1.661 20 0 GDADRO C[NH+](C)CCCNC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000114674766 530896469 /nfs/dbraw/zinc/89/64/69/530896469.db2.gz UEYZYMVOQGYCDQ-UHFFFAOYSA-N 1 0 381.267 1.673 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)[C@@H]1CO ZINC000190357854 530929021 /nfs/dbraw/zinc/92/90/21/530929021.db2.gz DDVGYAGIOILVFQ-XJKSGUPXSA-N 1 0 385.302 1.989 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)[C@@H]1CO ZINC000190365113 530929258 /nfs/dbraw/zinc/92/92/58/530929258.db2.gz DHPCKQPBTLXBKD-SMDDNHRTSA-N 1 0 384.274 1.207 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000190427161 530930478 /nfs/dbraw/zinc/93/04/78/530930478.db2.gz BXBXSBOCZYOWJA-NWDGAFQWSA-N 1 0 398.301 1.832 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000118116209 530915804 /nfs/dbraw/zinc/91/58/04/530915804.db2.gz LUIRLLJISNKENJ-UHFFFAOYSA-N 1 0 386.290 1.699 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1)C1CC1 ZINC000118101485 530916319 /nfs/dbraw/zinc/91/63/19/530916319.db2.gz MXKLFWPKEHBAPT-BZQUYTCOSA-N 1 0 385.917 1.613 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCc2ccc(Br)cc21)[N@H+](C)C1CC1 ZINC000118127567 530916526 /nfs/dbraw/zinc/91/65/26/530916526.db2.gz ZWIDJEFORSDTEI-LLVKDONJSA-N 1 0 380.286 1.937 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000118127668 530916568 /nfs/dbraw/zinc/91/65/68/530916568.db2.gz CZNJDENQSAMZKJ-SNVBAGLBSA-N 1 0 384.274 1.995 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)cc1Cl ZINC000119509612 530926730 /nfs/dbraw/zinc/92/67/30/530926730.db2.gz TWLWHNJLESSDEY-UHFFFAOYSA-N 1 0 389.949 1.317 20 0 GDADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)[C@H](C)[NH3+] ZINC000191989724 530958385 /nfs/dbraw/zinc/95/83/85/530958385.db2.gz LPEHVEMVSQIQCS-MNOVXSKESA-N 1 0 394.324 1.810 20 0 GDADRO C[NH2+]CCCNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000121643779 530959392 /nfs/dbraw/zinc/95/93/92/530959392.db2.gz XCCYTCFEMKNNKN-HNNXBMFYSA-N 1 0 397.317 1.849 20 0 GDADRO C[NH2+]CCCNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000121650866 530959434 /nfs/dbraw/zinc/95/94/34/530959434.db2.gz NIKKHPPKPLDYCC-NSHDSACASA-N 1 0 377.304 1.585 20 0 GDADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190835701 530938721 /nfs/dbraw/zinc/93/87/21/530938721.db2.gz PEDLYNCCZZJGSZ-UHFFFAOYSA-N 1 0 376.201 1.878 20 0 GDADRO CN(CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)c1ccc(Br)o1 ZINC000120402158 530940618 /nfs/dbraw/zinc/94/06/18/530940618.db2.gz PAYORNHSEXFCRE-LLVKDONJSA-N 1 0 384.274 1.715 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191252512 530945797 /nfs/dbraw/zinc/94/57/97/530945797.db2.gz ZGCNYNPFUJSGBT-UHFFFAOYSA-N 1 0 394.216 1.096 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000120879389 530946137 /nfs/dbraw/zinc/94/61/37/530946137.db2.gz FEZBQIQYNNHNSM-AWEZNQCLSA-N 1 0 399.333 1.143 20 0 GDADRO C[NH+](C)CCCN(C(=O)[C@H](O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000120915450 530946810 /nfs/dbraw/zinc/94/68/10/530946810.db2.gz MKDQXUWIHWYSDM-XJKSGUPXSA-N 1 0 388.917 1.341 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191608331 530950894 /nfs/dbraw/zinc/95/08/94/530950894.db2.gz YGLHAEYRTLDWDT-CQSZACIVSA-N 1 0 382.302 1.983 20 0 GDADRO COCC[NH2+]CCNS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000193365591 530985245 /nfs/dbraw/zinc/98/52/45/530985245.db2.gz BSFWIUMHPWOKFX-UHFFFAOYSA-N 1 0 385.255 1.111 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000122657857 530975013 /nfs/dbraw/zinc/97/50/13/530975013.db2.gz GXMOVIUXLGKFFI-LBPRGKRZSA-N 1 0 382.262 1.848 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000123091656 530979237 /nfs/dbraw/zinc/97/92/37/530979237.db2.gz ORMLPRPUJZRGCR-AWEZNQCLSA-N 1 0 387.933 1.999 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c(OC)cc1Br ZINC000193224777 530981740 /nfs/dbraw/zinc/98/17/40/530981740.db2.gz KAUFCHBVIYSXOM-SECBINFHSA-N 1 0 379.276 1.578 20 0 GDADRO C[C@@H]([NH3+])CCC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000193251426 530982214 /nfs/dbraw/zinc/98/22/14/530982214.db2.gz VDCMUDBNIAQYDR-CYBMUJFWSA-N 1 0 398.301 1.626 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(OC)c(Br)cc2OC)C1 ZINC000193267776 530982876 /nfs/dbraw/zinc/98/28/76/530982876.db2.gz YBIYVVKJFOUJRJ-JTQLQIEISA-N 1 0 393.303 1.696 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000193301154 530983618 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GDADRO C[C@H](C[NH3+])CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000440838840 531346935 /nfs/dbraw/zinc/34/69/35/531346935.db2.gz WNGBYZQAPPLUDB-CQSZACIVSA-N 1 0 389.543 1.124 20 0 GDADRO Cn1ncc(I)c1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000292295009 531347086 /nfs/dbraw/zinc/34/70/86/531347086.db2.gz IOJNNSVBRFTNHH-UHFFFAOYSA-N 1 0 390.269 1.877 20 0 GDADRO C[NH+](C)C[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000411916278 531347222 /nfs/dbraw/zinc/34/72/22/531347222.db2.gz YCXKSEYXJIPYNG-LLVKDONJSA-N 1 0 394.324 1.824 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c(I)cnn1C ZINC000292447625 531355498 /nfs/dbraw/zinc/35/54/98/531355498.db2.gz NIMSRUMAJQDHGW-PWSUYJOCSA-N 1 0 388.253 1.724 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCN3C3CC3)c(Cl)cc21 ZINC000528434578 531356409 /nfs/dbraw/zinc/35/64/09/531356409.db2.gz OTJUNGDJXBJGDX-CQSZACIVSA-N 1 0 383.901 1.764 20 0 GDADRO C[C@@H](O)C[N@H+](CC1(O)CCS(=O)(=O)CC1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441266456 531357811 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O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC[C@H]1COCC[NH2+]1 ZINC000529296436 531382493 /nfs/dbraw/zinc/38/24/93/531382493.db2.gz DSNLVLUUAQUGSS-ZFWWWQNUSA-N 1 0 397.317 1.563 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[N@H+](C)C(C)C)c(OC)c1 ZINC000444173648 531396708 /nfs/dbraw/zinc/39/67/08/531396708.db2.gz DJNUFHGQOYIVDC-UHFFFAOYSA-N 1 0 393.531 1.075 20 0 GDADRO Cc1cc2cc(S(=O)(=O)NCCN3CC[NH+](C)CC3)ccc2nc1Cl ZINC000293065650 531398488 /nfs/dbraw/zinc/39/84/88/531398488.db2.gz LKLHPXQELZBLMS-UHFFFAOYSA-N 1 0 382.917 1.722 20 0 GDADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000530567391 531398800 /nfs/dbraw/zinc/39/88/00/531398800.db2.gz YXPDYYWCYMSVPA-LLVKDONJSA-N 1 0 387.889 1.140 20 0 GDADRO O=S(=O)(NCC[NH2+]Cc1cnn(CC(F)F)c1)c1cccc(Cl)c1 ZINC000293097650 531401144 /nfs/dbraw/zinc/40/11/44/531401144.db2.gz WCMWZNGZMMXSTI-UHFFFAOYSA-N 1 0 378.832 1.870 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000293117985 531401798 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CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]c(=O)c(Br)c3)C2)CC1 ZINC000531832117 531416584 /nfs/dbraw/zinc/41/65/84/531416584.db2.gz IOQHDTZXHVNNDE-CQSZACIVSA-N 1 0 397.317 1.790 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2csnc2C(=O)OC)C1 ZINC000447132594 531416755 /nfs/dbraw/zinc/41/67/55/531416755.db2.gz KMUDIVZBFDDNGL-GFCCVEGCSA-N 1 0 391.515 1.051 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2I)C1 ZINC000293345875 531416795 /nfs/dbraw/zinc/41/67/95/531416795.db2.gz AYBRLOPUXLJXOE-SNVBAGLBSA-N 1 0 376.242 1.627 20 0 GDADRO CCOCC(C)(C)[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000293235540 531410664 /nfs/dbraw/zinc/41/06/64/531410664.db2.gz KZHACYXQUUIYTI-CQSZACIVSA-N 1 0 388.555 1.669 20 0 GDADRO O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)N1 ZINC000279112104 531414366 /nfs/dbraw/zinc/41/43/66/531414366.db2.gz SRVDRMXQQRDYOU-MEDUHNTESA-N 1 0 388.251 1.407 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000532446677 531422054 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COc1cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)sc1S(N)(=O)=O ZINC000447430069 531428884 /nfs/dbraw/zinc/42/88/84/531428884.db2.gz DVPLKURJRAXQHE-GFCCVEGCSA-N 1 0 377.532 1.500 20 0 GDADRO C[C@@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H](C)S1 ZINC000533291554 531429344 /nfs/dbraw/zinc/42/93/44/531429344.db2.gz GMLNIEDUZHUHOC-OKILXGFUSA-N 1 0 385.555 1.209 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1OC ZINC000447819098 531436714 /nfs/dbraw/zinc/43/67/14/531436714.db2.gz WVZJQKZPVSRVFH-UHFFFAOYSA-N 1 0 392.905 1.340 20 0 GDADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000267530941 531433037 /nfs/dbraw/zinc/43/30/37/531433037.db2.gz QGBFDFBVVKXBFW-QMMMGPOBSA-N 1 0 396.332 1.324 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)s1 ZINC000414308925 531438691 /nfs/dbraw/zinc/43/86/91/531438691.db2.gz QRFJMNFCWKFCSN-LLVKDONJSA-N 1 0 385.463 1.410 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1Cl ZINC000360300152 531438806 /nfs/dbraw/zinc/43/88/06/531438806.db2.gz XSKNTJMXXKZRND-MRXNPFEDSA-N 1 0 385.917 1.751 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c2cccnc12 ZINC000534315825 531438865 /nfs/dbraw/zinc/43/88/65/531438865.db2.gz DBUXVIDIRKZRGI-HIFRSBDPSA-N 1 0 381.523 1.910 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cc(F)c(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000267706056 531446110 /nfs/dbraw/zinc/44/61/10/531446110.db2.gz RERJAUBJJMOVCV-LBPRGKRZSA-N 1 0 378.416 1.685 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)s1 ZINC000486123084 531446135 /nfs/dbraw/zinc/44/61/35/531446135.db2.gz PCSSGMCTFOPYJL-DZGCQCFKSA-N 1 0 387.571 1.635 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CCSC1 ZINC000267652727 531442430 /nfs/dbraw/zinc/44/24/30/531442430.db2.gz RTAKHVQDWUVWSJ-MRXNPFEDSA-N 1 0 392.493 1.991 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1I)C[NH+]1CCCCC1 ZINC000293769791 531442489 /nfs/dbraw/zinc/44/24/89/531442489.db2.gz KTOSKLVCUDCHGW-LLVKDONJSA-N 1 0 390.269 1.877 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)CCC[NH3+])c1 ZINC000293777849 531443449 /nfs/dbraw/zinc/44/34/49/531443449.db2.gz ZBKOPJMOJOIKMV-UHFFFAOYSA-N 1 0 391.921 1.512 20 0 GDADRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414356594 531443778 /nfs/dbraw/zinc/44/37/78/531443778.db2.gz FLKPSBCEXNESRA-GZMMTYOYSA-N 1 0 383.333 1.299 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000486038986 531444090 /nfs/dbraw/zinc/44/40/90/531444090.db2.gz QYOBLFKTWWSMGL-DOMZBBRYSA-N 1 0 382.302 1.883 20 0 GDADRO CC(C)C[C@H](NCc1ccc(S(C)(=O)=O)s1)C(=O)NCC[NH+](C)C ZINC000414369992 531444500 /nfs/dbraw/zinc/44/45/00/531444500.db2.gz VRWCNIXRHSKNFP-AWEZNQCLSA-N 1 0 375.560 1.334 20 0 GDADRO C[C@H](CNC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C[NH+](C)C ZINC000293920224 531451622 /nfs/dbraw/zinc/45/16/22/531451622.db2.gz SODHXNZATGSGRG-GFCCVEGCSA-N 1 0 391.331 1.678 20 0 GDADRO COC(=O)CN1CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000279745102 531452591 /nfs/dbraw/zinc/45/25/91/531452591.db2.gz XVYZKCYSEUWUTH-OAHLLOKOSA-N 1 0 384.274 1.203 20 0 GDADRO Cc1cc(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)sc1C ZINC000414456270 531452954 /nfs/dbraw/zinc/45/29/54/531452954.db2.gz IXWOIVYUZCNRIC-AWEZNQCLSA-N 1 0 394.584 1.494 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000293984367 531455606 /nfs/dbraw/zinc/45/56/06/531455606.db2.gz VWKMOYPUZFBKIA-SUMWQHHRSA-N 1 0 385.917 1.561 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(Br)cn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362065381 531455839 /nfs/dbraw/zinc/45/58/39/531455839.db2.gz KOVDXQRSGVMNSN-HIFRSBDPSA-N 1 0 383.334 1.886 20 0 GDADRO O=C1CCCN1[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000536371341 531450523 /nfs/dbraw/zinc/45/05/23/531450523.db2.gz UYTFDQSMDOUWFM-HUUCEWRRSA-N 1 0 383.286 1.886 20 0 GDADRO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000449715639 531474094 /nfs/dbraw/zinc/47/40/94/531474094.db2.gz FDBAKNOOZOPZEH-ZWNOBZJWSA-N 1 0 381.420 1.773 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C(F)(F)F ZINC000449720474 531474127 /nfs/dbraw/zinc/47/41/27/531474127.db2.gz NAHWBTFKUBJAPF-CYBMUJFWSA-N 1 0 379.404 1.384 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)C1 ZINC000415316439 531474373 /nfs/dbraw/zinc/47/43/73/531474373.db2.gz JNLBEELLTFHVHS-JTQLQIEISA-N 1 0 398.257 1.303 20 0 GDADRO O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415325523 531474381 /nfs/dbraw/zinc/47/43/81/531474381.db2.gz DYACBWFSXHBCSD-JTQLQIEISA-N 1 0 382.251 1.655 20 0 GDADRO C[C@@H]1Cc2cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)ccc2N1S(C)(=O)=O ZINC000449722819 531475022 /nfs/dbraw/zinc/47/50/22/531475022.db2.gz QGRRRDYPMDEJKX-RNCFNFMXSA-N 1 0 379.404 1.407 20 0 GDADRO Cc1sc2ncn(CCC(=O)N[C@H](CC[NH3+])C(F)(F)F)c(=O)c2c1C ZINC000449725273 531475358 /nfs/dbraw/zinc/47/53/58/531475358.db2.gz UXYGOJLJKYKJQI-SNVBAGLBSA-N 1 0 376.404 1.861 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000415330736 531475733 /nfs/dbraw/zinc/47/57/33/531475733.db2.gz LKUGRIJABQUGTD-VIFPVBQESA-N 1 0 388.251 1.834 20 0 GDADRO O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415340691 531476307 /nfs/dbraw/zinc/47/63/07/531476307.db2.gz XGDCYJCUWHPHRE-LLVKDONJSA-N 1 0 382.251 1.655 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2c(F)cccc2Br)C1 ZINC000487732825 531477313 /nfs/dbraw/zinc/47/73/13/531477313.db2.gz SIJMTVDCXCYOAK-LLVKDONJSA-N 1 0 386.265 1.905 20 0 GDADRO COc1cc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc(OC)c1Br ZINC000537361378 531459021 /nfs/dbraw/zinc/45/90/21/531459021.db2.gz ZPGRDPYWHJQYCN-GFCCVEGCSA-N 1 0 384.274 1.795 20 0 GDADRO NC(=O)c1cn(CCCC[NH2+]Cc2c(F)ccc(Br)c2F)nn1 ZINC000414570771 531459118 /nfs/dbraw/zinc/45/91/18/531459118.db2.gz SGNCWMZVSXVDSG-UHFFFAOYSA-N 1 0 388.216 1.988 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)NCC[NH+](C)C)c(I)c1 ZINC000537834190 531461887 /nfs/dbraw/zinc/46/18/87/531461887.db2.gz MFXXXKSYCQDHTP-UHFFFAOYSA-N 1 0 393.200 1.355 20 0 GDADRO [NH3+]CCCN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000414742183 531463000 /nfs/dbraw/zinc/46/30/00/531463000.db2.gz SSJLGOJCMKVNHR-UHFFFAOYSA-N 1 0 396.738 1.758 20 0 GDADRO C[C@@H]1CN(Cc2csc(NC(=O)N[C@H](CC[NH3+])C(F)F)n2)C[C@H](C)O1 ZINC000414728447 531463159 /nfs/dbraw/zinc/46/31/59/531463159.db2.gz CLZSYJHXHSZFMU-JFGNBEQYSA-N 1 0 377.461 1.856 20 0 GDADRO Brc1ccc(CNC[C@H]2C[NH2+]CCCO2)c(N2CCOCC2)c1 ZINC000415033843 531465385 /nfs/dbraw/zinc/46/53/85/531465385.db2.gz HLHNGGVKUXTBBI-MRXNPFEDSA-N 1 0 384.318 1.754 20 0 GDADRO [NH3+]Cc1cc(NC(=O)C(=O)N2CCSC[C@@H]2CO)cc(C(F)(F)F)c1 ZINC000415153165 531466761 /nfs/dbraw/zinc/46/67/61/531466761.db2.gz WKAPFXMWAWAMKY-LBPRGKRZSA-N 1 0 377.388 1.039 20 0 GDADRO C[C@@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449139266 531467560 /nfs/dbraw/zinc/46/75/60/531467560.db2.gz AGGYWLAZDZVTBD-SMDDNHRTSA-N 1 0 378.416 1.946 20 0 GDADRO CCOC[C@@H](O)C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449162525 531467624 /nfs/dbraw/zinc/46/76/24/531467624.db2.gz JIWOBBZTLPZZEE-RISCZKNCSA-N 1 0 389.290 1.449 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415350123 531477673 /nfs/dbraw/zinc/47/76/73/531477673.db2.gz FFYDVWLRIONPQT-ZETCQYMHSA-N 1 0 378.629 1.987 20 0 GDADRO C[C@H](C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449324045 531469828 /nfs/dbraw/zinc/46/98/28/531469828.db2.gz XNSIPLFGAQYREU-GDBMZVCRSA-N 1 0 388.555 1.597 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000415278753 531470671 /nfs/dbraw/zinc/47/06/71/531470671.db2.gz GRWQDLPYXBKTEX-LLVKDONJSA-N 1 0 398.276 1.935 20 0 GDADRO CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415280701 531471123 /nfs/dbraw/zinc/47/11/23/531471123.db2.gz MAMSGLSANGJFGH-UHFFFAOYSA-N 1 0 387.889 1.460 20 0 GDADRO CCCSc1nsc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000415289385 531471836 /nfs/dbraw/zinc/47/18/36/531471836.db2.gz CLLIWEZFBCQFOG-LLVKDONJSA-N 1 0 386.547 1.892 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)C1CC1 ZINC000539842301 531472059 /nfs/dbraw/zinc/47/20/59/531472059.db2.gz NNDDNCGTAKLUMR-CYBMUJFWSA-N 1 0 389.315 1.923 20 0 GDADRO O=C(Nc1cccc2cncc(Br)c21)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415301156 531472298 /nfs/dbraw/zinc/47/22/98/531472298.db2.gz BCNNLABOJITYSA-LLVKDONJSA-N 1 0 377.242 1.804 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 ZINC000415299492 531472422 /nfs/dbraw/zinc/47/24/22/531472422.db2.gz ZAXXBLLDYCMIQJ-MRVPVSSYSA-N 1 0 380.164 1.966 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415297006 531472606 /nfs/dbraw/zinc/47/26/06/531472606.db2.gz VNFKCQJHJIEZGD-UHFFFAOYSA-N 1 0 381.601 1.348 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415298319 531472911 /nfs/dbraw/zinc/47/29/11/531472911.db2.gz GLZUSPFWPAPMOW-UHFFFAOYSA-N 1 0 398.257 1.372 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000415352701 531478414 /nfs/dbraw/zinc/47/84/14/531478414.db2.gz KXBNSBSMZIOWCX-SNVBAGLBSA-N 1 0 382.251 1.925 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)C1 ZINC000415352661 531478649 /nfs/dbraw/zinc/47/86/49/531478649.db2.gz KTYJTYKZTDSROB-NSHDSACASA-N 1 0 378.230 1.133 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(I)cc1F ZINC000294428850 531478845 /nfs/dbraw/zinc/47/88/45/531478845.db2.gz AHGLKTQRNANUNF-LLVKDONJSA-N 1 0 391.228 1.406 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000268164119 531479621 /nfs/dbraw/zinc/47/96/21/531479621.db2.gz JLKWMVVPMPXBCB-LBPRGKRZSA-N 1 0 392.905 1.762 20 0 GDADRO CC[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187048 531479545 /nfs/dbraw/zinc/47/95/45/531479545.db2.gz ANWGYOKNKRWCSY-YCPHGPKFSA-N 1 0 390.933 1.934 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2Br)C1 ZINC000415370616 531479844 /nfs/dbraw/zinc/47/98/44/531479844.db2.gz DWDPRLBYIJVUKU-SNVBAGLBSA-N 1 0 398.257 1.385 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 ZINC000415376643 531480494 /nfs/dbraw/zinc/48/04/94/531480494.db2.gz ZAXXBLLDYCMIQJ-QMMMGPOBSA-N 1 0 380.164 1.966 20 0 GDADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415375481 531480972 /nfs/dbraw/zinc/48/09/72/531480972.db2.gz AOFXOQXRWWCTAA-UHFFFAOYSA-N 1 0 395.628 1.737 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CCSC1 ZINC000268306311 531493313 /nfs/dbraw/zinc/49/33/13/531493313.db2.gz BTNINUDQLQONNY-INIZCTEOSA-N 1 0 389.518 1.929 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cnn(C)c1I ZINC000294509726 531482541 /nfs/dbraw/zinc/48/25/41/531482541.db2.gz YQVXWGQKJCWHAB-JTQLQIEISA-N 1 0 376.242 1.439 20 0 GDADRO COc1cc(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000415407501 531483157 /nfs/dbraw/zinc/48/31/57/531483157.db2.gz GAGIVVPFEJAKHF-NSHDSACASA-N 1 0 384.274 1.902 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415405627 531483465 /nfs/dbraw/zinc/48/34/65/531483465.db2.gz CUINCYNTJQHEIK-SECBINFHSA-N 1 0 380.246 1.303 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000415409835 531483854 /nfs/dbraw/zinc/48/38/54/531483854.db2.gz JCDUBMVMIZZKNL-NSHDSACASA-N 1 0 384.274 1.902 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(C)cc(I)c1 ZINC000415417279 531484505 /nfs/dbraw/zinc/48/45/05/531484505.db2.gz VLGOIXJOBYMVGQ-JTQLQIEISA-N 1 0 389.237 1.510 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415431421 531484865 /nfs/dbraw/zinc/48/48/65/531484865.db2.gz SJLDKKKFHFMPOV-JTQLQIEISA-N 1 0 394.273 1.820 20 0 GDADRO CC[N@H+](C)CCNC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000294561926 531485193 /nfs/dbraw/zinc/48/51/93/531485193.db2.gz BLIGVBGQWYLZEN-UHFFFAOYSA-N 1 0 381.523 1.824 20 0 GDADRO C[C@]1(O)CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000280287798 531485652 /nfs/dbraw/zinc/48/56/52/531485652.db2.gz ZJJWWVIHQFPNHF-KRWDZBQOSA-N 1 0 398.301 1.741 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1OC ZINC000415447487 531486822 /nfs/dbraw/zinc/48/68/22/531486822.db2.gz HOEQXXDYQQUPJK-SNVBAGLBSA-N 1 0 388.262 1.504 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1I)C1CC1 ZINC000415452720 531487983 /nfs/dbraw/zinc/48/79/83/531487983.db2.gz MGTJMYREGRKTIZ-NSHDSACASA-N 1 0 391.184 1.222 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415451334 531488155 /nfs/dbraw/zinc/48/81/55/531488155.db2.gz SMEMSIQQYKPQBP-ZYHUDNBSSA-N 1 0 384.274 1.900 20 0 GDADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545154354 531489331 /nfs/dbraw/zinc/48/93/31/531489331.db2.gz MDQHTOOQZMTYST-QGZVFWFLSA-N 1 0 380.286 1.964 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415471918 531489778 /nfs/dbraw/zinc/48/97/78/531489778.db2.gz SNCSIUDPKOPXFT-LLVKDONJSA-N 1 0 377.242 1.886 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccncc2I)C1 ZINC000545422762 531491216 /nfs/dbraw/zinc/49/12/16/531491216.db2.gz IWRMSKJWJLOGQB-NSHDSACASA-N 1 0 388.253 1.960 20 0 GDADRO COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c(Br)c1 ZINC000294681377 531491578 /nfs/dbraw/zinc/49/15/78/531491578.db2.gz BOVOZFPRCBVSDP-HZMBPMFUSA-N 1 0 378.288 1.658 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415527542 531491672 /nfs/dbraw/zinc/49/16/72/531491672.db2.gz KXENLXJHYVUXBQ-AWEZNQCLSA-N 1 0 394.273 1.804 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000415516866 531491797 /nfs/dbraw/zinc/49/17/97/531491797.db2.gz HTWVMJHQPLUNCL-UHFFFAOYSA-N 1 0 384.933 1.948 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000415517008 531491810 /nfs/dbraw/zinc/49/18/10/531491810.db2.gz IFDHYRVCGUSNOD-UHFFFAOYSA-N 1 0 388.262 1.521 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415661878 531510590 /nfs/dbraw/zinc/51/05/90/531510590.db2.gz UPTQVNMQCCEOCP-OIBJUYFYSA-N 1 0 376.201 1.780 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415661876 531510792 /nfs/dbraw/zinc/51/07/92/531510792.db2.gz UPTQVNMQCCEOCP-GMSGAONNSA-N 1 0 376.201 1.780 20 0 GDADRO COC(=O)C1(CS(=O)(=O)NCC2(SC)CC[NH+](C)CC2)CCCCC1 ZINC000489876758 531512235 /nfs/dbraw/zinc/51/22/35/531512235.db2.gz RHVBABMCNYIBFE-UHFFFAOYSA-N 1 0 392.587 1.857 20 0 GDADRO O=S(=O)([N-]CC(F)(F)F)NC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450826793 531513157 /nfs/dbraw/zinc/51/31/57/531513157.db2.gz IFGWBIOTOOYXNY-SNVBAGLBSA-N 1 0 379.395 1.873 20 0 GDADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489910801 531514138 /nfs/dbraw/zinc/51/41/38/531514138.db2.gz YHIBMPZDIRMSOT-SWLSCSKDSA-N 1 0 385.281 1.094 20 0 GDADRO C[NH+](C)CC1(C(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000635883242 531519634 /nfs/dbraw/zinc/51/96/34/531519634.db2.gz XASJTTRACDYOGJ-CQSZACIVSA-N 1 0 380.286 1.790 20 0 GDADRO CSC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000268458018 531515691 /nfs/dbraw/zinc/51/56/91/531515691.db2.gz CEDYDVXFDXCYDP-CQSZACIVSA-N 1 0 387.571 1.706 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1I ZINC000581824292 531516120 /nfs/dbraw/zinc/51/61/20/531516120.db2.gz DOVQGXOZSXRJLW-ZWNOBZJWSA-N 1 0 394.278 1.876 20 0 GDADRO COC(=O)c1cc(NC(=O)NCCN2CC[NH2+]CC2)c(C)cc1Br ZINC000415709680 531516927 /nfs/dbraw/zinc/51/69/27/531516927.db2.gz QACKYCXDIKQXDK-UHFFFAOYSA-N 1 0 399.289 1.571 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CCC[NH2+]1 ZINC000415715403 531518303 /nfs/dbraw/zinc/51/83/03/531518303.db2.gz ZDOFWTSQJFFFBW-HNNXBMFYSA-N 1 0 378.231 1.956 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)C1 ZINC000415556293 531494393 /nfs/dbraw/zinc/49/43/93/531494393.db2.gz CINHRQQKWDDTEC-NXEZZACHSA-N 1 0 381.889 1.936 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)[C@H](C)C[NH2+]1 ZINC000415556530 531494429 /nfs/dbraw/zinc/49/44/29/531494429.db2.gz IJEZHUAUQOGVRF-NXEZZACHSA-N 1 0 381.274 1.869 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)C1 ZINC000415560499 531494478 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C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415584377 531498314 /nfs/dbraw/zinc/49/83/14/531498314.db2.gz WLHLBNQFHXJWIJ-HTQZYQBOSA-N 1 0 376.201 1.862 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)s1 ZINC000280458073 531499118 /nfs/dbraw/zinc/49/91/18/531499118.db2.gz SDEOGURYXMQARB-STQMWFEESA-N 1 0 389.543 1.138 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000268363481 531499369 /nfs/dbraw/zinc/49/93/69/531499369.db2.gz DCMPAIXJLRMCKG-CQSZACIVSA-N 1 0 388.249 1.671 20 0 GDADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000635652913 531500249 /nfs/dbraw/zinc/50/02/49/531500249.db2.gz TWLHIOCYOXUCKA-ZIAGYGMSSA-N 1 0 382.448 1.733 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363684269 531500935 /nfs/dbraw/zinc/50/09/35/531500935.db2.gz XCZZEPCIXQDSMR-ZIAGYGMSSA-N 1 0 396.285 1.675 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415599208 531500941 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O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659075383 531537976 /nfs/dbraw/zinc/53/79/76/531537976.db2.gz WHGZLKCASMGJRB-QMMMGPOBSA-N 1 0 376.201 1.924 20 0 GDADRO COc1cc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c(Cl)cc1Br ZINC000659076096 531538763 /nfs/dbraw/zinc/53/87/63/531538763.db2.gz BBHNRBMRWYEFFV-ZETCQYMHSA-N 1 0 378.654 1.855 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2I)C1 ZINC000415831238 531539473 /nfs/dbraw/zinc/53/94/73/531539473.db2.gz HMDWQELWNZFVFY-ZJUUUORDSA-N 1 0 387.221 1.473 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000415830562 531539602 /nfs/dbraw/zinc/53/96/02/531539602.db2.gz IHPCCMXJZGPGMU-JTQLQIEISA-N 1 0 379.766 1.792 20 0 GDADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000659088565 531539822 /nfs/dbraw/zinc/53/98/22/531539822.db2.gz YOJZCXLXHMDQOI-SECBINFHSA-N 1 0 390.665 1.454 20 0 GDADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)Cn3cccn3)nc12 ZINC000582177365 531539818 /nfs/dbraw/zinc/53/98/18/531539818.db2.gz RAWFWVVBDQNRTA-HNNXBMFYSA-N 1 0 378.274 1.795 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415839731 531540688 /nfs/dbraw/zinc/54/06/88/531540688.db2.gz ORZGRSRXNVOVTQ-HTQZYQBOSA-N 1 0 376.201 1.909 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415834209 531540782 /nfs/dbraw/zinc/54/07/82/531540782.db2.gz NPTLGGXDTBVVRJ-JTQLQIEISA-N 1 0 388.237 1.330 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1Br ZINC000659109645 531541950 /nfs/dbraw/zinc/54/19/50/531541950.db2.gz KOAMTLUZLNTQRV-PSASIEDQSA-N 1 0 376.201 1.733 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000551611481 531542629 /nfs/dbraw/zinc/54/26/29/531542629.db2.gz HEHULNOMNIQJIW-UHFFFAOYSA-N 1 0 395.301 1.609 20 0 GDADRO CNC(=O)c1cccc(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)c1Br ZINC000659106969 531542959 /nfs/dbraw/zinc/54/29/59/531542959.db2.gz XGRKEPCSZRIWDS-LLVKDONJSA-N 1 0 399.289 1.237 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415852840 531543410 /nfs/dbraw/zinc/54/34/10/531543410.db2.gz KPSLDYYNNCPHDM-STQMWFEESA-N 1 0 395.301 1.939 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Br)c1 ZINC000415852871 531543548 /nfs/dbraw/zinc/54/35/48/531543548.db2.gz SAZDIOBQUAIHPV-MNOVXSKESA-N 1 0 384.274 1.840 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415855812 531544257 /nfs/dbraw/zinc/54/42/57/531544257.db2.gz CIWVDCOXAJPEMO-UHFFFAOYSA-N 1 0 398.257 1.433 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccccc1I ZINC000415861508 531544572 /nfs/dbraw/zinc/54/45/72/531544572.db2.gz PZDPAYJENNVZQW-UHFFFAOYSA-N 1 0 387.221 1.488 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CCCO1 ZINC000415861405 531544958 /nfs/dbraw/zinc/54/49/58/531544958.db2.gz ORJFKBRLRCCKPB-SNVBAGLBSA-N 1 0 379.766 1.874 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(Cl)c1 ZINC000558063177 531546320 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COc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415870820 531548304 /nfs/dbraw/zinc/54/83/04/531548304.db2.gz NNBBDHPHGFBGTQ-NTZNESFSSA-N 1 0 396.285 1.901 20 0 GDADRO O=C(Nc1ccc(I)cc1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415873482 531548551 /nfs/dbraw/zinc/54/85/51/531548551.db2.gz VAFOLQZTYNXQPX-GFCCVEGCSA-N 1 0 387.221 1.488 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364264876 531548573 /nfs/dbraw/zinc/54/85/73/531548573.db2.gz GBCKAAQTQVZBBN-HNNXBMFYSA-N 1 0 380.286 1.876 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415874613 531548702 /nfs/dbraw/zinc/54/87/02/531548702.db2.gz BFBPCCRLPAJVEF-UHFFFAOYSA-N 1 0 384.152 1.703 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000612322793 531548932 /nfs/dbraw/zinc/54/89/32/531548932.db2.gz VNVGUXJVMZGLLO-HNNXBMFYSA-N 1 0 376.567 1.514 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000659675431 531550275 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GDADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ncc1Br ZINC000415816845 531535292 /nfs/dbraw/zinc/53/52/92/531535292.db2.gz HQUIRWLMYAQCIW-QWHCGFSZSA-N 1 0 395.301 1.939 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636095029 531535974 /nfs/dbraw/zinc/53/59/74/531535974.db2.gz CPILVEDHOKOAEO-PHIMTYICSA-N 1 0 377.919 1.423 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000659016251 531536012 /nfs/dbraw/zinc/53/60/12/531536012.db2.gz VRSFMXDYUUTXSE-UHFFFAOYSA-N 1 0 399.337 1.797 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])Oc1ccc(Br)cc1 ZINC000659701908 531555340 /nfs/dbraw/zinc/55/53/40/531555340.db2.gz JRQMIWUKAXVZRN-NSHDSACASA-N 1 0 386.290 1.528 20 0 GDADRO COc1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)cc1Br ZINC000659696942 531555402 /nfs/dbraw/zinc/55/54/02/531555402.db2.gz HPRMQWXDZONDNS-UHFFFAOYSA-N 1 0 384.274 1.462 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000659710888 531555484 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GDADRO CSC1(CNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC[NH+](C)CC1 ZINC000558554582 531568053 /nfs/dbraw/zinc/56/80/53/531568053.db2.gz HPYPOSLBOYMVGA-UHFFFAOYSA-N 1 0 385.555 1.508 20 0 GDADRO CC(C)O[C@@]1(CS(=O)(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCOC1 ZINC000659894670 531566143 /nfs/dbraw/zinc/56/61/43/531566143.db2.gz ODQOAOQBABKKFD-SFHVURJKSA-N 1 0 376.563 1.954 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000583142765 531566425 /nfs/dbraw/zinc/56/64/25/531566425.db2.gz KNQBAFMPWGBGSE-STQMWFEESA-N 1 0 395.497 1.185 20 0 GDADRO Cc1ncc(S(=O)(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000364444517 531566841 /nfs/dbraw/zinc/56/68/41/531566841.db2.gz MRNRJSPDRCAOAV-QGZVFWFLSA-N 1 0 381.523 1.709 20 0 GDADRO CC(C)[NH+](CCCNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O)C(C)C ZINC000553654511 531570257 /nfs/dbraw/zinc/57/02/57/531570257.db2.gz QDXHKTMXVUDMDO-MRXNPFEDSA-N 1 0 376.567 1.609 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000583324913 531571120 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C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000268846595 531576838 /nfs/dbraw/zinc/57/68/38/531576838.db2.gz JAHCMXPDUUEECE-QMMMGPOBSA-N 1 0 391.291 1.237 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCc2cc(Br)cc(F)c21 ZINC000268860828 531578443 /nfs/dbraw/zinc/57/84/43/531578443.db2.gz QYOIDSNSYLECBH-ZDUSSCGKSA-N 1 0 385.281 1.906 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1Cl ZINC000364581206 531577827 /nfs/dbraw/zinc/57/78/27/531577827.db2.gz OBTFRSGMJLADEE-CQSZACIVSA-N 1 0 387.933 1.749 20 0 GDADRO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000451272499 531578934 /nfs/dbraw/zinc/57/89/34/531578934.db2.gz CADOGTCXERQYOJ-YOEHRIQHSA-N 1 0 397.313 1.804 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)CCc2scnc2C)C1 ZINC000451270693 531580525 /nfs/dbraw/zinc/58/05/25/531580525.db2.gz SMGAVYWXYKYXTL-HNNXBMFYSA-N 1 0 375.560 1.757 20 0 GDADRO CC[NH+](CC)[C@H](CNc1nc(C)c(S(N)(=O)=O)s1)Cc1ccccc1 ZINC000558755907 531580559 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C[NH+]1CCN(CCNC(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000556121280 531588434 /nfs/dbraw/zinc/58/84/34/531588434.db2.gz YBFIFTOKIFWBKT-UHFFFAOYSA-N 1 0 392.301 1.612 20 0 GDADRO CNS(=O)(=O)CCC[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000494104422 531588452 /nfs/dbraw/zinc/58/84/52/531588452.db2.gz DDPGQNRTZQAMMU-UHFFFAOYSA-N 1 0 385.349 1.898 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000660034827 531588847 /nfs/dbraw/zinc/58/88/47/531588847.db2.gz WXEMTBJHBIUJBP-NWDGAFQWSA-N 1 0 381.274 1.631 20 0 GDADRO CC(C)(CCS(=O)(=O)N1CCC(C[NH+]2CCCCC2)CC1)S(C)(=O)=O ZINC000416383757 531589537 /nfs/dbraw/zinc/58/95/37/531589537.db2.gz FGYUEDSDHCLTDO-UHFFFAOYSA-N 1 0 394.603 1.727 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000637001635 531593824 /nfs/dbraw/zinc/59/38/24/531593824.db2.gz MTPWCUCHVWMMIS-LSDHHAIUSA-N 1 0 395.301 1.774 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000637024442 531596067 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C[C@@H](O)CCN(C)C(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637118982 531606025 /nfs/dbraw/zinc/60/60/25/531606025.db2.gz QKGPBYXPPMIDFZ-ABAIWWIYSA-N 1 0 390.311 1.942 20 0 GDADRO CCCN(C)CC(C)(C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC ZINC000660108277 531607311 /nfs/dbraw/zinc/60/73/11/531607311.db2.gz SNVYAGLUDSTZKZ-UHFFFAOYSA-N 1 0 392.543 1.497 20 0 GDADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000584073175 531611100 /nfs/dbraw/zinc/61/11/00/531611100.db2.gz RQVNBZXGNSJUTG-BQGCOEIASA-N 1 0 387.318 1.542 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000660180054 531611753 /nfs/dbraw/zinc/61/17/53/531611753.db2.gz VCKRTWNYDQBWMQ-HNNXBMFYSA-N 1 0 385.555 1.785 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000269129284 531612135 /nfs/dbraw/zinc/61/21/35/531612135.db2.gz NMLMNMIUSWEUSA-HUUCEWRRSA-N 1 0 380.286 1.874 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc2c1OC(F)(F)O2 ZINC000416421758 531609490 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[NH3+]CCCn1cc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)nn1 ZINC000662634064 531691435 /nfs/dbraw/zinc/69/14/35/531691435.db2.gz DBBWRWJVEAULBA-UHFFFAOYSA-N 1 0 383.283 1.896 20 0 GDADRO O=C(COC1CC[NH2+]CC1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662656157 531692132 /nfs/dbraw/zinc/69/21/32/531692132.db2.gz MWUPONDXLCMJFN-UHFFFAOYSA-N 1 0 382.302 1.866 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@@H+](C2CC2)C1 ZINC000296429766 531693067 /nfs/dbraw/zinc/69/30/67/531693067.db2.gz ZYHYLGUHDRRPMM-NSHDSACASA-N 1 0 381.274 1.725 20 0 GDADRO CN1CC[NH+](CC2CCN(C(=O)CCn3cc(Br)cn3)CC2)CC1 ZINC000619532252 531710498 /nfs/dbraw/zinc/71/04/98/531710498.db2.gz ZHCTYBLXFQOJAX-UHFFFAOYSA-N 1 0 398.349 1.522 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cc2ccccc2Br)C1 ZINC000591185015 531710649 /nfs/dbraw/zinc/71/06/49/531710649.db2.gz PAKGFQFYFMUJGZ-AWEZNQCLSA-N 1 0 382.302 1.695 20 0 GDADRO C[C@@]12C[NH+](CCC(=O)Nc3ccc(Br)cc3)C[C@@]1(C)C(=O)NC2=O ZINC000639951195 531711270 /nfs/dbraw/zinc/71/12/70/531711270.db2.gz 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CCCOc1ccc(Br)cc1C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639846658 531706187 /nfs/dbraw/zinc/70/61/87/531706187.db2.gz PZMQBCPHUDJIDD-STQMWFEESA-N 1 0 384.274 1.257 20 0 GDADRO NC(=O)[C@@H]1C[NH+](Cc2cccc3c(Br)cccc23)C[C@H]1C(N)=O ZINC000639844986 531706319 /nfs/dbraw/zinc/70/63/19/531706319.db2.gz KJVGZHMATJNPEG-ZIAGYGMSSA-N 1 0 376.254 1.621 20 0 GDADRO C[C@@H]1NC(=O)N(CC[N@H+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1=O ZINC000639919128 531707823 /nfs/dbraw/zinc/70/78/23/531707823.db2.gz PLAFDAWALMMWKX-GWCFXTLKSA-N 1 0 390.267 1.605 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)S(N)(=O)=O)c1ccccc1Cl ZINC000663444433 531712301 /nfs/dbraw/zinc/71/23/01/531712301.db2.gz JVWVZVBXDSXIHB-SWLSCSKDSA-N 1 0 390.937 1.699 20 0 GDADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2Cl)C[C@@H](C)C1 ZINC000561762014 531723269 /nfs/dbraw/zinc/72/32/69/531723269.db2.gz IKLLSACAYMBYQY-OZVIIMIRSA-N 1 0 385.917 1.790 20 0 GDADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccs2)C[C@@H](C)C1 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531718853 /nfs/dbraw/zinc/71/88/53/531718853.db2.gz NXHNMVPLSZYEKG-NSHDSACASA-N 1 0 381.495 1.206 20 0 GDADRO CC[C@@H](C)[NH+]1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1 ZINC000296753582 531721317 /nfs/dbraw/zinc/72/13/17/531721317.db2.gz BIOAPCAIUWCTJV-CYBMUJFWSA-N 1 0 380.539 1.932 20 0 GDADRO Cn1cc(Br)c(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000640309842 531735852 /nfs/dbraw/zinc/73/58/52/531735852.db2.gz QMUUZUAZLZFDNR-ZDUSSCGKSA-N 1 0 380.290 2.477 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000562147958 531736494 /nfs/dbraw/zinc/73/64/94/531736494.db2.gz VPUGEBKJDCGHDN-MNOVXSKESA-N 1 0 394.324 1.871 20 0 GDADRO C[NH+]1CCC(CNC(=O)COc2ccsc2Cl)(N2CCOCC2)CC1 ZINC000665640803 531739539 /nfs/dbraw/zinc/73/95/39/531739539.db2.gz SKKSUPKXGOCQCW-UHFFFAOYSA-N 1 0 387.933 1.693 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[C@H]2CSCCS2)cc1 ZINC000269753894 531740824 /nfs/dbraw/zinc/74/08/24/531740824.db2.gz SOCDDCJESBHFOR-INIZCTEOSA-N 1 0 381.567 1.833 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000416835148 531742596 /nfs/dbraw/zinc/74/25/96/531742596.db2.gz SXWDRIOIVNARJW-FZMZJTMJSA-N 1 0 383.290 1.993 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N(C)C2CC[NH2+]CC2)s1 ZINC000416925429 531745697 /nfs/dbraw/zinc/74/56/97/531745697.db2.gz YJJYQLOAUXIZQS-UHFFFAOYSA-N 1 0 388.559 1.672 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)c1cccnc1-n1cc(Br)cn1 ZINC000297001567 531746718 /nfs/dbraw/zinc/74/67/18/531746718.db2.gz QKIHMVGCFQBNBG-UHFFFAOYSA-N 1 0 394.273 1.216 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000666084784 531747880 /nfs/dbraw/zinc/74/78/80/531747880.db2.gz IGPAOVSDNGMXEF-DOMZBBRYSA-N 1 0 395.301 1.855 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)nc1Cl ZINC000366481648 531748287 /nfs/dbraw/zinc/74/82/87/531748287.db2.gz TYOZGWZXGMWHSQ-UHFFFAOYSA-N 1 0 376.910 1.197 20 0 GDADRO COc1cc(Br)cc(OC)c1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000666143149 531752848 /nfs/dbraw/zinc/75/28/48/531752848.db2.gz MRICITDDPUFYFG-ZDUSSCGKSA-N 1 0 389.290 1.453 20 0 GDADRO Brc1cc2c(cc1Cn1cc(CN3CC[NH2+]CC3)nn1)OCCO2 ZINC000640852153 531766546 /nfs/dbraw/zinc/76/65/46/531766546.db2.gz PCDMSMKGTQHAOH-UHFFFAOYSA-N 1 0 394.273 1.265 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417204537 531757494 /nfs/dbraw/zinc/75/74/94/531757494.db2.gz FUWXTDOANCTVRZ-SWLSCSKDSA-N 1 0 397.317 1.996 20 0 GDADRO C[C@@]1(CNC(=O)NCCNC(=O)c2ccc(Br)cc2)CCC[NH2+]C1 ZINC000417207490 531758960 /nfs/dbraw/zinc/75/89/60/531758960.db2.gz NJAWPTKBOBOEBN-QGZVFWFLSA-N 1 0 397.317 1.868 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417216290 531759824 /nfs/dbraw/zinc/75/98/24/531759824.db2.gz XZEGUHVEWPXUSW-UHFFFAOYSA-N 1 0 385.306 1.805 20 0 GDADRO [NH3+][C@@H](c1cn(CC(=O)Nc2ccc(Br)cc2F)nn1)[C@@H]1CCCO1 ZINC000640759564 531759937 /nfs/dbraw/zinc/75/99/37/531759937.db2.gz WKFZNGVBVHKBDE-ZFWWWQNUSA-N 1 0 398.236 1.997 20 0 GDADRO COC(=O)c1ccc(F)cc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 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CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000562841439 531783166 /nfs/dbraw/zinc/78/31/66/531783166.db2.gz MBNWNDXVXMMPIV-PBHICJAKSA-N 1 0 386.539 1.633 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000667293353 531775318 /nfs/dbraw/zinc/77/53/18/531775318.db2.gz SWQLESIONICOJM-UHFFFAOYSA-N 1 0 388.237 1.794 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000297275494 531775647 /nfs/dbraw/zinc/77/56/47/531775647.db2.gz BEKSYTHQIYRXGV-LLVKDONJSA-N 1 0 382.258 1.372 20 0 GDADRO COc1ccc(Br)cc1CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452371587 531775664 /nfs/dbraw/zinc/77/56/64/531775664.db2.gz UARJVXCGBPQYNR-HNNXBMFYSA-N 1 0 385.302 1.963 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1nc2ccc(Br)cn2n1 ZINC000562735429 531776842 /nfs/dbraw/zinc/77/68/42/531776842.db2.gz XXAIWIVSEXYYLG-LBPRGKRZSA-N 1 0 382.262 1.332 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000366773296 531777394 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Brc1ccc2oc(Cn3cc(CN4CC[NH2+]CC4)nn3)nc2c1 ZINC000641130205 531778694 /nfs/dbraw/zinc/77/86/94/531778694.db2.gz KVRCXFGQPAYHON-UHFFFAOYSA-N 1 0 377.246 1.635 20 0 GDADRO [NH3+][C@H](CO)Cc1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641120605 531778747 /nfs/dbraw/zinc/77/87/47/531778747.db2.gz HSIINGDGEYKQLE-NSHDSACASA-N 1 0 383.246 1.112 20 0 GDADRO COc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(I)c1 ZINC000592310795 531779033 /nfs/dbraw/zinc/77/90/33/531779033.db2.gz YTDWSAYNDCXBCJ-NOZJJQNGSA-N 1 0 390.221 1.488 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417562983 531779149 /nfs/dbraw/zinc/77/91/49/531779149.db2.gz GONFOWAVXUUKPW-INIZCTEOSA-N 1 0 381.318 1.947 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000417558696 531779450 /nfs/dbraw/zinc/77/94/50/531779450.db2.gz VSEICNFRHHAZSV-JTQLQIEISA-N 1 0 389.269 1.964 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N(C)[C@@H](C)C[NH3+])s1 ZINC000417518100 531779552 /nfs/dbraw/zinc/77/95/52/531779552.db2.gz RQPMUIHENSWBSK-LBPRGKRZSA-N 1 0 376.548 1.310 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000668506954 531801078 /nfs/dbraw/zinc/80/10/78/531801078.db2.gz LWCHKBGXYSHBKH-BIGNPOOSSA-N 1 0 380.279 1.921 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592386871 531784191 /nfs/dbraw/zinc/78/41/91/531784191.db2.gz PZIGSEPFKDGKFA-NSHDSACASA-N 1 0 380.388 1.912 20 0 GDADRO C[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000417781682 531785517 /nfs/dbraw/zinc/78/55/17/531785517.db2.gz WRYWYZUSMFAZPT-SWLSCSKDSA-N 1 0 386.290 1.976 20 0 GDADRO COCCOC[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641220423 531786812 /nfs/dbraw/zinc/78/68/12/531786812.db2.gz ALBIOECDPGWEOP-HIFRSBDPSA-N 1 0 385.262 1.113 20 0 GDADRO COCCOC[C@@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641220421 531786972 /nfs/dbraw/zinc/78/69/72/531786972.db2.gz ALBIOECDPGWEOP-DZGCQCFKSA-N 1 0 385.262 1.113 20 0 GDADRO 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379.814 1.347 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N(C)C3CC([NH3+])C3)C2=O)ccc1Br ZINC000418017725 531797086 /nfs/dbraw/zinc/79/70/86/531797086.db2.gz SZPCUMPGWHRZRT-ABIUDSBCSA-N 1 0 395.301 1.994 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)N3CC[NH2+]CC3)C2=O)ccc1Br ZINC000418010375 531797300 /nfs/dbraw/zinc/79/73/00/531797300.db2.gz JOZKUUTWIQHODO-HNNXBMFYSA-N 1 0 395.301 1.868 20 0 GDADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000623066276 531797398 /nfs/dbraw/zinc/79/73/98/531797398.db2.gz CUQWGASKKIWDOC-RYUDHWBXSA-N 1 0 378.274 1.954 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)NC[C@@H](C)C[NH3+])C2=O)ccc1Br ZINC000418015115 531797419 /nfs/dbraw/zinc/79/74/19/531797419.db2.gz PKEZLMAUPXGXLS-HZMBPMFUSA-N 1 0 383.290 1.757 20 0 GDADRO C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000563010933 531797683 /nfs/dbraw/zinc/79/76/83/531797683.db2.gz CQGHIEXAPDKZBK-MRXNPFEDSA-N 1 0 384.318 1.082 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])C2=O)ccc1Br ZINC000418019826 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20 0 GDADRO C[S@](=O)Cc1cccc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000563109510 531808394 /nfs/dbraw/zinc/80/83/94/531808394.db2.gz IZCWJMPHPWCPLW-SXBQZSJRSA-N 1 0 377.432 1.131 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1Br ZINC000563124093 531808986 /nfs/dbraw/zinc/80/89/86/531808986.db2.gz FIPGQFNLTXCXAW-IUCAKERBSA-N 1 0 378.292 1.812 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418159026 531809082 /nfs/dbraw/zinc/80/90/82/531809082.db2.gz QSYXGMRGMBXGLI-OAHLLOKOSA-N 1 0 392.884 1.138 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669072222 531809211 /nfs/dbraw/zinc/80/92/11/531809211.db2.gz UQCJEYCFTVBHFJ-DOMZBBRYSA-N 1 0 386.905 1.012 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000418159232 531809410 /nfs/dbraw/zinc/80/94/10/531809410.db2.gz DBVLQGNOTYYGGU-MRXNPFEDSA-N 1 0 396.333 1.890 20 0 GDADRO CCOc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cc(Br)c1O ZINC000563111727 531809484 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CC(C)([NH3+])CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000418415251 531824957 /nfs/dbraw/zinc/82/49/57/531824957.db2.gz NIRMJIVSNOSWHN-LLVKDONJSA-N 1 0 398.305 1.942 20 0 GDADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000367264451 531825479 /nfs/dbraw/zinc/82/54/79/531825479.db2.gz MTQZCKPDNANKEQ-NEPJUHHUSA-N 1 0 391.946 1.765 20 0 GDADRO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418443746 531825889 /nfs/dbraw/zinc/82/58/89/531825889.db2.gz NTKOHSLBCGGRNH-GOEBONIOSA-N 1 0 376.567 1.451 20 0 GDADRO CCC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000418489861 531826126 /nfs/dbraw/zinc/82/61/26/531826126.db2.gz ONOPCSISYUPDIC-UHFFFAOYSA-N 1 0 388.921 1.356 20 0 GDADRO CCC[NH2+]CCNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000418480524 531826561 /nfs/dbraw/zinc/82/65/61/531826561.db2.gz RDQJXTUJWMPOEJ-UHFFFAOYSA-N 1 0 397.317 1.916 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000297855367 531827744 /nfs/dbraw/zinc/82/77/44/531827744.db2.gz MRKHWDHVBDENHC-HNNXBMFYSA-N 1 0 382.302 1.960 20 0 GDADRO [NH3+]CCCCNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418511191 531827820 /nfs/dbraw/zinc/82/78/20/531827820.db2.gz OWZLQBUTIVALBI-GFCCVEGCSA-N 1 0 376.270 1.777 20 0 GDADRO [NH3+]C1(CNC(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)CCC1 ZINC000418506683 531828102 /nfs/dbraw/zinc/82/81/02/531828102.db2.gz GZLYVMNDWJQSDE-LBPRGKRZSA-N 1 0 388.281 1.920 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCCc4scnc43)CC2)cn1 ZINC000623917747 531828800 /nfs/dbraw/zinc/82/88/00/531828800.db2.gz XUWODZNJCMGSFG-CQSZACIVSA-N 1 0 381.527 1.697 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCc2cccc(Br)c2)C1 ZINC000418280746 531819627 /nfs/dbraw/zinc/81/96/27/531819627.db2.gz MOGPNAPSJRYBIC-CQSZACIVSA-N 1 0 397.317 1.488 20 0 GDADRO C[NH2+]CCCNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC ZINC000418279930 531819731 /nfs/dbraw/zinc/81/97/31/531819731.db2.gz QKQSDXZWKQBYIF-GFCCVEGCSA-N 1 0 388.306 1.517 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)NC[C@@H](O)COc1ccccc1Br ZINC000418281989 531820574 /nfs/dbraw/zinc/82/05/74/531820574.db2.gz GFHDXEWTNOLKBM-CYBMUJFWSA-N 1 0 386.290 1.630 20 0 GDADRO CC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000418332079 531821381 /nfs/dbraw/zinc/82/13/81/531821381.db2.gz YKVLKHKSXPGXAO-UHFFFAOYSA-N 1 0 392.884 1.105 20 0 GDADRO CS(=O)(=O)NC1CC([NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000669832181 531821383 /nfs/dbraw/zinc/82/13/83/531821383.db2.gz IGOVLZMECGGAJY-UHFFFAOYSA-N 1 0 375.288 1.554 20 0 GDADRO CCN(CCc1nccs1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418621653 531832810 /nfs/dbraw/zinc/83/28/10/531832810.db2.gz TZXGJLFEZKGOFB-GFCCVEGCSA-N 1 0 379.452 1.553 20 0 GDADRO O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418672372 531833398 /nfs/dbraw/zinc/83/33/98/531833398.db2.gz NHJWCDIRZDPCFO-BSLXNSKLSA-N 1 0 386.265 1.256 20 0 GDADRO O=C(NCCC1=CC[NH2+]CC1)NC[C@@H](O)COc1ccccc1Br ZINC000418634248 531833477 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O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418752456 531837075 /nfs/dbraw/zinc/83/70/75/531837075.db2.gz GNRGGEGLHXJYOF-VXGBXAGGSA-N 1 0 378.217 1.779 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCCc2cccc(Cl)c2Cl)[C@@H](C[NH3+])C1 ZINC000418761042 531837432 /nfs/dbraw/zinc/83/74/32/531837432.db2.gz KFIFIZQLHMLDFA-OLZOCXBDSA-N 1 0 388.295 1.617 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000418774940 531838976 /nfs/dbraw/zinc/83/89/76/531838976.db2.gz ZJLOHOWETGTQQV-GDBMZVCRSA-N 1 0 381.318 1.852 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000624368015 531839268 /nfs/dbraw/zinc/83/92/68/531839268.db2.gz BFWBTDIVBHINAL-CHWSQXEVSA-N 1 0 375.441 1.736 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000418779994 531839912 /nfs/dbraw/zinc/83/99/12/531839912.db2.gz KFNMRXGNSLFCOJ-WDEREUQCSA-N 1 0 384.274 1.270 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000418607260 531831921 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1.127 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418844602 531852041 /nfs/dbraw/zinc/85/20/41/531852041.db2.gz MMPBXEJAEXGILL-KYOSRNDESA-N 1 0 380.286 1.317 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418840406 531852242 /nfs/dbraw/zinc/85/22/42/531852242.db2.gz FHMHIYQYRKXIHD-SNVBAGLBSA-N 1 0 381.274 1.443 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccccc2Br)[C@H](C[NH3+])C1 ZINC000418847734 531852476 /nfs/dbraw/zinc/85/24/76/531852476.db2.gz JSELWFLQVUOPEY-RWMBFGLXSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418846677 531853228 /nfs/dbraw/zinc/85/32/28/531853228.db2.gz SKFHBJKPTDVSRQ-JSGCOSHPSA-N 1 0 382.302 1.612 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000418849891 531854722 /nfs/dbraw/zinc/85/47/22/531854722.db2.gz BTESNFDHDWBEDG-NHYWBVRUSA-N 1 0 382.302 1.960 20 0 GDADRO CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C[NH3+])C1 ZINC000563571835 531854889 /nfs/dbraw/zinc/85/48/89/531854889.db2.gz HCAMYVRNKKHCLU-ZBFHGGJFSA-N 1 0 396.333 1.312 20 0 GDADRO [NH3+]C/C=C\CNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000641869959 531855093 /nfs/dbraw/zinc/85/50/93/531855093.db2.gz KMGQKVBCVQUIFI-UPHRSURJSA-N 1 0 385.281 1.930 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)CC[C@@H]1C(F)(F)F ZINC000624390861 531841464 /nfs/dbraw/zinc/84/14/64/531841464.db2.gz KLLNGVMTIOEZGH-CABCVRRESA-N 1 0 377.432 1.749 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000418806082 531842157 /nfs/dbraw/zinc/84/21/57/531842157.db2.gz CBGUMWIDDIVAOR-GHMZBOCLSA-N 1 0 386.265 1.709 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418808203 531842724 /nfs/dbraw/zinc/84/27/24/531842724.db2.gz KMMQBUFAMGODOZ-FXVHWTKVSA-N 1 0 398.326 1.882 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418805070 531842839 /nfs/dbraw/zinc/84/28/39/531842839.db2.gz GRXVMTCFLIYUIO-ZRUFSTJUSA-N 1 0 386.315 1.739 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000624397127 531843041 /nfs/dbraw/zinc/84/30/41/531843041.db2.gz PODIREYLLNDPBO-UHFFFAOYSA-N 1 0 385.711 1.959 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418810607 531844012 /nfs/dbraw/zinc/84/40/12/531844012.db2.gz OPJACZUMMVMHSG-NURSFMCSSA-N 1 0 386.265 1.532 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)NCc1cc(Br)ccc1Br ZINC000418813214 531844092 /nfs/dbraw/zinc/84/40/92/531844092.db2.gz YFPIURBTBHCUQD-UHFFFAOYSA-N 1 0 393.079 1.245 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418812298 531844544 /nfs/dbraw/zinc/84/45/44/531844544.db2.gz RGGKGCPAJYXTSK-CHWFTXMASA-N 1 0 386.315 1.597 20 0 GDADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000641623593 531844975 /nfs/dbraw/zinc/84/49/75/531844975.db2.gz JMSRUSZIHNMFRT-UKRRQHHQSA-N 1 0 389.543 1.226 20 0 GDADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000641625253 531845175 /nfs/dbraw/zinc/84/51/75/531845175.db2.gz SWLATQPRVJZZRM-CABCVRRESA-N 1 0 388.555 1.831 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CCOCC1 ZINC000298051258 531846860 /nfs/dbraw/zinc/84/68/60/531846860.db2.gz HULJFKMCLXSSLY-UHFFFAOYSA-N 1 0 389.283 1.741 20 0 GDADRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1cc(F)cc(F)c1Br ZINC000563487441 531847236 /nfs/dbraw/zinc/84/72/36/531847236.db2.gz XZPQVONQJOOZQU-UHFFFAOYSA-N 1 0 377.189 1.281 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418825883 531847810 /nfs/dbraw/zinc/84/78/10/531847810.db2.gz KCVXPJOTDUXVJY-JHJVBQTASA-N 1 0 398.276 1.900 20 0 GDADRO Cc1cc(CNC(=O)C(=O)NCCCC[NH3+])ccc1I ZINC000418828988 531848372 /nfs/dbraw/zinc/84/83/72/531848372.db2.gz MTVAODVDLGKPPX-UHFFFAOYSA-N 1 0 389.237 1.071 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cc2ccc(Br)cn2n1 ZINC000455240482 531867283 /nfs/dbraw/zinc/86/72/83/531867283.db2.gz FDAAGKBZYPJMNJ-CQSZACIVSA-N 1 0 396.289 2.065 20 0 GDADRO O=S(=O)(CC1CCS(=O)(=O)CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367816275 531867768 /nfs/dbraw/zinc/86/77/68/531867768.db2.gz NUMFZIWXSNBBMD-RDJZCZTQSA-N 1 0 390.571 1.090 20 0 GDADRO C[N@H+](CCCNS(=O)(=O)CC1CCS(=O)(=O)CC1)Cc1ccccc1 ZINC000283483250 531868087 /nfs/dbraw/zinc/86/80/87/531868087.db2.gz HXIXNCLEZKSJHJ-UHFFFAOYSA-N 1 0 388.555 1.253 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418854862 531855703 /nfs/dbraw/zinc/85/57/03/531855703.db2.gz LRCKYZYJYRSPRT-YIONKMFJSA-N 1 0 380.286 1.773 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418853935 531856077 /nfs/dbraw/zinc/85/60/77/531856077.db2.gz SRAZJXPGZJHMRV-DTWKUNHWSA-N 1 0 378.231 1.496 20 0 GDADRO CCCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(F)F ZINC000298146603 531856576 /nfs/dbraw/zinc/85/65/76/531856576.db2.gz OOBWEMXDDOBGQR-UHFFFAOYSA-N 1 0 377.457 1.360 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccc(Br)cn1 ZINC000418865558 531857208 /nfs/dbraw/zinc/85/72/08/531857208.db2.gz LGJNSCKKDMEPTH-TUAOUCFPSA-N 1 0 381.274 1.089 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(Br)cn1 ZINC000418860823 531857269 /nfs/dbraw/zinc/85/72/69/531857269.db2.gz DEFGRJDUBAZJSB-BDJLRTHQSA-N 1 0 383.290 1.527 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)c1ccc(Br)cc1 ZINC000418866623 531857450 /nfs/dbraw/zinc/85/74/50/531857450.db2.gz OHFYKCSBDGLCAN-GYSYKLTISA-N 1 0 398.301 1.856 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Br)cn1 ZINC000418860120 531857496 /nfs/dbraw/zinc/85/74/96/531857496.db2.gz BUNNXXVQZUFTFV-GFCCVEGCSA-N 1 0 395.301 1.623 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000642351359 531858300 /nfs/dbraw/zinc/85/83/00/531858300.db2.gz DIYWEOHZPSUZTI-SMDDNHRTSA-N 1 0 396.285 1.586 20 0 GDADRO C[C@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1ccc(Br)cn1 ZINC000418871640 531858688 /nfs/dbraw/zinc/85/86/88/531858688.db2.gz UUWWEZLHGRGRRS-NSHDSACASA-N 1 0 383.290 1.527 20 0 GDADRO C[C@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cn1 ZINC000418867256 531858907 /nfs/dbraw/zinc/85/89/07/531858907.db2.gz OCSDPCWKTSIJGL-RYUDHWBXSA-N 1 0 383.290 1.527 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(Br)cn1 ZINC000418872658 531858978 /nfs/dbraw/zinc/85/89/78/531858978.db2.gz WKBRUBAFYBXUGE-YGRLFVJLSA-N 1 0 383.290 1.655 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418888112 531859876 /nfs/dbraw/zinc/85/98/76/531859876.db2.gz SPMWUDTVNJXKNW-GFCCVEGCSA-N 1 0 388.237 1.254 20 0 GDADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)CCn2ccnn2)CC1 ZINC000298184168 531861722 /nfs/dbraw/zinc/86/17/22/531861722.db2.gz HVUJUGIIHMEDAP-UHFFFAOYSA-N 1 0 393.289 1.821 20 0 GDADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)C(=O)N[C@H]1CSC1(C)C ZINC000418911985 531861728 /nfs/dbraw/zinc/86/17/28/531861728.db2.gz WEOUIEWIJWZMSP-OCCSQVGLSA-N 1 0 382.555 1.400 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)NCCc1cc(Br)ccc1F ZINC000418916959 531862933 /nfs/dbraw/zinc/86/29/33/531862933.db2.gz AENPJXGPKGOSHW-UHFFFAOYSA-N 1 0 386.265 1.505 20 0 GDADRO O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)C(=O)N1CC[NH2+]CC1 ZINC000418919790 531863611 /nfs/dbraw/zinc/86/36/11/531863611.db2.gz ATQGDEDQLDLSBB-OAHLLOKOSA-N 1 0 380.286 1.838 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000642919278 531864553 /nfs/dbraw/zinc/86/45/53/531864553.db2.gz VRHWAYKQPQOBPS-OAHLLOKOSA-N 1 0 380.286 1.981 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418931255 531864640 /nfs/dbraw/zinc/86/46/40/531864640.db2.gz GVDPPYNCBYSUOG-HNNXBMFYSA-N 1 0 380.286 1.742 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000642920667 531864968 /nfs/dbraw/zinc/86/49/68/531864968.db2.gz BNUCWKPSQRKOLU-UHFFFAOYSA-N 1 0 376.320 1.973 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000418930885 531865174 /nfs/dbraw/zinc/86/51/74/531865174.db2.gz FFXHUNDCCCZVMU-UHFFFAOYSA-N 1 0 382.302 1.913 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCOc3cccc(Br)c3)C[C@@H]12 ZINC000418949347 531870914 /nfs/dbraw/zinc/87/09/14/531870914.db2.gz OCHPRFVXDJKIJC-NILFDRSVSA-N 1 0 396.285 1.140 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1cc(F)cc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000418946827 531871104 /nfs/dbraw/zinc/87/11/04/531871104.db2.gz OVCTUOINTJYYDB-PWSUYJOCSA-N 1 0 386.265 1.709 20 0 GDADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418947648 531871115 /nfs/dbraw/zinc/87/11/15/531871115.db2.gz SRXUBGBBVFQNMA-LBEMJPCMSA-N 1 0 392.297 1.952 20 0 GDADRO CN(C(=O)C(=O)NCCOc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000418955137 531872350 /nfs/dbraw/zinc/87/23/50/531872350.db2.gz UOEQTKVLMCMVIK-UHFFFAOYSA-N 1 0 384.274 1.155 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418961164 531872432 /nfs/dbraw/zinc/87/24/32/531872432.db2.gz AZXXCGRRUYUQFB-CABZTGNLSA-N 1 0 394.273 1.056 20 0 GDADRO CC1(OCC(=O)NCc2cc(Cl)ccc2I)C[NH2+]C1 ZINC000595256048 531872825 /nfs/dbraw/zinc/87/28/25/531872825.db2.gz KYVPAAALIQEMNB-UHFFFAOYSA-N 1 0 394.640 1.939 20 0 GDADRO COC(=O)[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1Br ZINC000595256346 531873646 /nfs/dbraw/zinc/87/36/46/531873646.db2.gz NLMXUMWJHBEWFE-QMTHXVAHSA-N 1 0 387.299 1.875 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1F)c1cccs1 ZINC000298306567 531873841 /nfs/dbraw/zinc/87/38/41/531873841.db2.gz ONMXGDSQIJUBPD-CYBMUJFWSA-N 1 0 385.486 1.585 20 0 GDADRO COc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)nc1I ZINC000270467240 531874608 /nfs/dbraw/zinc/87/46/08/531874608.db2.gz GNPIUAFKEXMKEZ-JTQLQIEISA-N 1 0 389.237 1.861 20 0 GDADRO CC(C)([NH3+])c1nocc1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000565666911 531875083 /nfs/dbraw/zinc/87/50/83/531875083.db2.gz OMSMJERFWMPEAM-UHFFFAOYSA-N 1 0 394.273 1.988 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)CC[NH2+]1 ZINC000418978428 531876060 /nfs/dbraw/zinc/87/60/60/531876060.db2.gz WZXIMXMZVIUALK-SNVBAGLBSA-N 1 0 383.279 1.954 20 0 GDADRO COc1ccc(C(=O)NCCCC[NH+](C)C)nc1I ZINC000270475702 531876139 /nfs/dbraw/zinc/87/61/39/531876139.db2.gz ICAXMEIIPCDIKA-UHFFFAOYSA-N 1 0 377.226 1.766 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000418982020 531876357 /nfs/dbraw/zinc/87/63/57/531876357.db2.gz APWWBJIMJHEFRM-TZMCWYRMSA-N 1 0 382.302 1.694 20 0 GDADRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000270474858 531876557 /nfs/dbraw/zinc/87/65/57/531876557.db2.gz MLAYBGFQJMIUIN-HZPDHXFCSA-N 1 0 385.555 1.411 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000418993791 531876979 /nfs/dbraw/zinc/87/69/79/531876979.db2.gz PSAUZFSZFWKOQS-CQSZACIVSA-N 1 0 382.302 1.566 20 0 GDADRO NS(=O)(=O)c1ccsc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000644045973 531877640 /nfs/dbraw/zinc/87/76/40/531877640.db2.gz BWYVWUMXJJRWON-CQSZACIVSA-N 1 0 379.507 1.962 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)C[C@H](C)O1 ZINC000298326499 531877740 /nfs/dbraw/zinc/87/77/40/531877740.db2.gz NNZGCDPAYAOSTC-TXEJJXNPSA-N 1 0 389.905 1.217 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000419006908 531879198 /nfs/dbraw/zinc/87/91/98/531879198.db2.gz IZBIOIIVVMLQTK-LLVKDONJSA-N 1 0 386.290 1.751 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000673581261 531881111 /nfs/dbraw/zinc/88/11/11/531881111.db2.gz OZBFKZLNACBUHZ-UHFFFAOYSA-N 1 0 377.938 1.853 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000419017581 531881958 /nfs/dbraw/zinc/88/19/58/531881958.db2.gz GJCKMHUPYAUKST-AAEUAGOBSA-N 1 0 382.258 1.339 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000566237900 531882601 /nfs/dbraw/zinc/88/26/01/531882601.db2.gz WBIKOCJSIRSKDS-WDEREUQCSA-N 1 0 399.289 1.054 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CCc2ccc(Br)cc2)C1 ZINC000419029045 531883188 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386.265 1.585 20 0 GDADRO O=S(=O)(c1ccc(OCC[N@@H+]2CCCSCC2)cc1)N1CCOCC1 ZINC000270544138 531891995 /nfs/dbraw/zinc/89/19/95/531891995.db2.gz IAMBRRYAAWXKRL-UHFFFAOYSA-N 1 0 386.539 1.525 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000298470983 531891992 /nfs/dbraw/zinc/89/19/92/531891992.db2.gz QDIJAFPSBZBWFA-CYBMUJFWSA-N 1 0 383.539 1.747 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1F ZINC000368110609 531892194 /nfs/dbraw/zinc/89/21/94/531892194.db2.gz UQSDAIVVVIAZER-CYBMUJFWSA-N 1 0 390.502 1.239 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000419051728 531892369 /nfs/dbraw/zinc/89/23/69/531892369.db2.gz GQCJKSUAYMLJNU-IINYFYTJSA-N 1 0 388.281 1.735 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419053432 531892941 /nfs/dbraw/zinc/89/29/41/531892941.db2.gz JXTNSAKGFPMOKK-TZMCWYRMSA-N 1 0 382.302 1.755 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000419055585 531893764 /nfs/dbraw/zinc/89/37/64/531893764.db2.gz ONXCCNOZHXARRP-JSGCOSHPSA-N 1 0 382.302 1.707 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419054391 531894129 /nfs/dbraw/zinc/89/41/29/531894129.db2.gz LXERWLGEYMTSIG-CQSZACIVSA-N 1 0 382.302 1.836 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000419082650 531899675 /nfs/dbraw/zinc/89/96/75/531899675.db2.gz UPSANGOMBVHKIQ-UHFFFAOYSA-N 1 0 394.313 1.983 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)c1sc2c(c1I)CNC2 ZINC000595948918 531894885 /nfs/dbraw/zinc/89/48/85/531894885.db2.gz CORIXGPNFPMZIO-SSDOTTSWSA-N 1 0 379.267 1.813 20 0 GDADRO O=S(=O)(CC[NH2+]CCSCCCO)c1cccc(Br)c1 ZINC000567385662 531895382 /nfs/dbraw/zinc/89/53/82/531895382.db2.gz KMLFSXMSUSEGJC-UHFFFAOYSA-N 1 0 382.345 1.928 20 0 GDADRO COC1CC[NH+](CCNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000674333759 531895425 /nfs/dbraw/zinc/89/54/25/531895425.db2.gz ICFAMDAPOBJSLX-UHFFFAOYSA-N 1 0 393.912 1.856 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000647710194 531895616 /nfs/dbraw/zinc/89/56/16/531895616.db2.gz SJPLXRMKTZKADE-CQSZACIVSA-N 1 0 383.901 1.957 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)c1 ZINC000419063205 531895882 /nfs/dbraw/zinc/89/58/82/531895882.db2.gz GMNMSWHPIMWSHP-UHFFFAOYSA-N 1 0 380.286 1.800 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000419064137 531896020 /nfs/dbraw/zinc/89/60/20/531896020.db2.gz HNJLKHNJCKMFKX-CYBMUJFWSA-N 1 0 382.302 1.961 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C[C@@H]1[NH+](C)C ZINC000270575064 531896367 /nfs/dbraw/zinc/89/63/67/531896367.db2.gz OZCVITDIBNCSCG-IRXDYDNUSA-N 1 0 383.539 1.262 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419079333 531897753 /nfs/dbraw/zinc/89/77/53/531897753.db2.gz USWNFPXWVPOIHG-GFCCVEGCSA-N 1 0 397.317 1.245 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000419080390 531897841 /nfs/dbraw/zinc/89/78/41/531897841.db2.gz PESBVBSUKJAAMM-UHFFFAOYSA-N 1 0 380.286 1.419 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419080746 531897891 /nfs/dbraw/zinc/89/78/91/531897891.db2.gz QGFTUMQYNZDJCF-DOMZBBRYSA-N 1 0 392.297 1.417 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)[C@H](C)C[NH2+]1 ZINC000419077837 531898056 /nfs/dbraw/zinc/89/80/56/531898056.db2.gz KAKVOKYOYYACIF-CHWSQXEVSA-N 1 0 394.313 1.806 20 0 GDADRO Cn1ncc(I)c1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456160602 531898025 /nfs/dbraw/zinc/89/80/25/531898025.db2.gz CBGKJTXTMSDPAV-UHFFFAOYSA-N 1 0 378.258 1.875 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419035975 531884651 /nfs/dbraw/zinc/88/46/51/531884651.db2.gz FVYVLXYZUFAEIK-ZWNOBZJWSA-N 1 0 384.274 1.361 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000283682970 531884841 /nfs/dbraw/zinc/88/48/41/531884841.db2.gz XUWUTALZUOBEGS-IAQYHMDHSA-N 1 0 380.286 1.664 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419036438 531885406 /nfs/dbraw/zinc/88/54/06/531885406.db2.gz GYIYYFKJUKJMRB-GXFFZTMASA-N 1 0 382.258 1.257 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419038625 531886435 /nfs/dbraw/zinc/88/64/35/531886435.db2.gz JVHQBFWFVIDGRS-VXGBXAGGSA-N 1 0 384.249 1.272 20 0 GDADRO COCCCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000368061170 531887145 /nfs/dbraw/zinc/88/71/45/531887145.db2.gz HXBWTDAKQQDNIL-RHSMWYFYSA-N 1 0 378.510 1.251 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419043945 531888155 /nfs/dbraw/zinc/88/81/55/531888155.db2.gz OQPDEUPRRHVEAX-GUBZILKMSA-N 1 0 378.420 1.782 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419043204 531888727 /nfs/dbraw/zinc/88/87/27/531888727.db2.gz QQYIVHFHUULXIW-MFKMUULPSA-N 1 0 382.258 1.196 20 0 GDADRO CCS(=O)(=O)NCc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000270541063 531889425 /nfs/dbraw/zinc/88/94/25/531889425.db2.gz XSKUNYVVYVWDIS-HZPDHXFCSA-N 1 0 385.555 1.244 20 0 GDADRO C[NH+]1CCC(CCO)(NC(=O)c2ccc(I)cn2)CC1 ZINC000456004494 531889852 /nfs/dbraw/zinc/88/98/52/531889852.db2.gz ZXADVKLFTFVVHO-UHFFFAOYSA-N 1 0 389.237 1.263 20 0 GDADRO Cc1nn(C)c(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1Br ZINC000647983680 531906893 /nfs/dbraw/zinc/90/68/93/531906893.db2.gz ONKJZKUNPMQROY-LLVKDONJSA-N 1 0 387.326 1.639 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C)c2Br)C1 ZINC000419162144 531907265 /nfs/dbraw/zinc/90/72/65/531907265.db2.gz GDJBXNZDDFUXLO-ZDUSSCGKSA-N 1 0 382.302 1.832 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419164808 531907398 /nfs/dbraw/zinc/90/73/98/531907398.db2.gz MVSZZOAPCCERIP-XHDPSFHLSA-N 1 0 388.295 1.740 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419164806 531907790 /nfs/dbraw/zinc/90/77/90/531907790.db2.gz MVSZZOAPCCERIP-IAQYHMDHSA-N 1 0 388.295 1.740 20 0 GDADRO CN(CC(=O)N[C@@H]1CC12CC[NH2+]CC2)C(=O)c1ccc(Br)s1 ZINC000368385970 531908018 /nfs/dbraw/zinc/90/80/18/531908018.db2.gz SIGGCKXMMVANOK-LLVKDONJSA-N 1 0 386.315 1.841 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000419171366 531908387 /nfs/dbraw/zinc/90/83/87/531908387.db2.gz XNDRDBXXKXRYGS-XHDPSFHLSA-N 1 0 388.295 1.822 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419165669 531908460 /nfs/dbraw/zinc/90/84/60/531908460.db2.gz NSQBYELSIABIIM-CQSZACIVSA-N 1 0 388.295 1.885 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2cc(Br)ccc2C)[C@H](C[NH3+])C1 ZINC000419167996 531908471 /nfs/dbraw/zinc/90/84/71/531908471.db2.gz RFRPEHJWHXJGLX-GJZGRUSLSA-N 1 0 398.301 1.338 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419171182 531909049 /nfs/dbraw/zinc/90/90/49/531909049.db2.gz XFJDMWJFVWMYFM-ABAIWWIYSA-N 1 0 386.279 1.447 20 0 GDADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2CSCCS2)CC1 ZINC000368400841 531909891 /nfs/dbraw/zinc/90/98/91/531909891.db2.gz ANHCANRDWRSBJP-AWEZNQCLSA-N 1 0 390.600 1.618 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2ccsc2Br)[C@H](C[NH3+])C1 ZINC000419183481 531910139 /nfs/dbraw/zinc/91/01/39/531910139.db2.gz MODADCMJUFYNLE-WDEREUQCSA-N 1 0 390.303 1.092 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CCSC1 ZINC000568528673 531911027 /nfs/dbraw/zinc/91/10/27/531911027.db2.gz GUROUMBKVMNKBG-CQSZACIVSA-N 1 0 377.919 1.155 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCc2ccsc2Br)C1 ZINC000283947498 531912455 /nfs/dbraw/zinc/91/24/55/531912455.db2.gz HLTHKRYIJMRJSX-NSHDSACASA-N 1 0 388.331 1.975 20 0 GDADRO CS[C@@H]1CN(c2nc3cc(S(N)(=O)=O)ccc3[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000596196029 531912645 /nfs/dbraw/zinc/91/26/45/531912645.db2.gz RBBXVCSHJPTLKM-LSDHHAIUSA-N 1 0 381.527 1.226 20 0 GDADRO CC(C)(C)OC(=O)CCCN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000368481162 531913736 /nfs/dbraw/zinc/91/37/36/531913736.db2.gz FUIBYTPZNDGMFL-HNNXBMFYSA-N 1 0 376.519 1.235 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC(n2cc(Br)cn2)CC1 ZINC000567597086 531899927 /nfs/dbraw/zinc/89/99/27/531899927.db2.gz JQLDQARHQNCSOH-AWEZNQCLSA-N 1 0 386.294 1.371 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CCO1 ZINC000647863479 531899928 /nfs/dbraw/zinc/89/99/28/531899928.db2.gz CJILJDKTYJYXMP-SMDDNHRTSA-N 1 0 381.274 1.971 20 0 GDADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419116686 531901068 /nfs/dbraw/zinc/90/10/68/531901068.db2.gz ZEWUKDKBEGYPPK-UHFFFAOYSA-N 1 0 378.885 1.992 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000419113267 531901160 /nfs/dbraw/zinc/90/11/60/531901160.db2.gz LJNWCEZXQQMUFA-QWRGUYRKSA-N 1 0 388.331 1.613 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2csnc2-c2ccccc2)CC1 ZINC000647905303 531903309 /nfs/dbraw/zinc/90/33/09/531903309.db2.gz NLMFOODEAHDYQZ-UHFFFAOYSA-N 1 0 380.539 1.726 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)s1 ZINC000368314482 531903365 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CN(CCOCC[NH3+])C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000625884196 531917476 /nfs/dbraw/zinc/91/74/76/531917476.db2.gz ILLQEPRMVWQYJV-UHFFFAOYSA-N 1 0 383.250 1.469 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000419256741 531918528 /nfs/dbraw/zinc/91/85/28/531918528.db2.gz HNELSWBIRGJCKD-CHWSQXEVSA-N 1 0 398.301 1.387 20 0 GDADRO CCOCC[C@@H](O)C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000569095600 531919108 /nfs/dbraw/zinc/91/91/08/531919108.db2.gz TWQNHWBUQAIBGX-OAHLLOKOSA-N 1 0 390.571 1.842 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000569096327 531919498 /nfs/dbraw/zinc/91/94/98/531919498.db2.gz UPSDQTXHWHQBQP-UHFFFAOYSA-N 1 0 384.933 1.162 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419263381 531919814 /nfs/dbraw/zinc/91/98/14/531919814.db2.gz VOOHIHYRCAOLCE-LBPRGKRZSA-N 1 0 384.274 1.060 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1[nH]nc(C2CC2)c1Br ZINC000649077265 531920878 /nfs/dbraw/zinc/92/08/78/531920878.db2.gz PEHNEMXHBNPGBE-VIFPVBQESA-N 1 0 384.278 1.242 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000284014945 531921086 /nfs/dbraw/zinc/92/10/86/531921086.db2.gz VMWPDFRMODUNQI-GFCCVEGCSA-N 1 0 389.905 1.375 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419301830 531922576 /nfs/dbraw/zinc/92/25/76/531922576.db2.gz OLZSKMQVCLMPFX-OCCSQVGLSA-N 1 0 382.302 1.926 20 0 GDADRO NC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000270805196 531925249 /nfs/dbraw/zinc/92/52/49/531925249.db2.gz XDSBPYQYYRBCMZ-GHMZBOCLSA-N 1 0 392.681 1.585 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1nnnn1-c1ccccc1Br ZINC000419323814 531925419 /nfs/dbraw/zinc/92/54/19/531925419.db2.gz JKLZZNOCXIUSAC-CHWSQXEVSA-N 1 0 395.305 1.312 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419347992 531925871 /nfs/dbraw/zinc/92/58/71/531925871.db2.gz AIPMJTKRAITVQE-QGZVFWFLSA-N 1 0 398.301 1.580 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419351053 531926216 /nfs/dbraw/zinc/92/62/16/531926216.db2.gz GSCVDBWEODABCO-QWHCGFSZSA-N 1 0 384.274 1.460 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000419211026 531914655 /nfs/dbraw/zinc/91/46/55/531914655.db2.gz WOFHFPXMXKLIGL-WDEREUQCSA-N 1 0 384.274 1.283 20 0 GDADRO C[C@@H](CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)n1cc(Br)cn1 ZINC000648833212 531915647 /nfs/dbraw/zinc/91/56/47/531915647.db2.gz BUCBLIWWQMFFBM-DZGCQCFKSA-N 1 0 387.322 1.950 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419236983 531916842 /nfs/dbraw/zinc/91/68/42/531916842.db2.gz BOTSZADCMKMFSY-ZDUSSCGKSA-N 1 0 398.326 1.970 20 0 GDADRO O=C(N[C@H]1CSc2ccc(Br)cc21)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419239929 531916984 /nfs/dbraw/zinc/91/69/84/531916984.db2.gz FMKLMYAYLLLNKB-JQWIXIFHSA-N 1 0 384.299 1.580 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419242125 531917011 /nfs/dbraw/zinc/91/70/11/531917011.db2.gz HMVUXCZQNMBEBU-JOYOIKCWSA-N 1 0 386.315 1.684 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419360938 531929825 /nfs/dbraw/zinc/92/98/25/531929825.db2.gz SEWHCOUZLQVJDV-GWCFXTLKSA-N 1 0 384.274 1.270 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000419402703 531930729 /nfs/dbraw/zinc/93/07/29/531930729.db2.gz PBBZBGCUMQRMQB-JOYOIKCWSA-N 1 0 375.256 1.079 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569848087 531931378 /nfs/dbraw/zinc/93/13/78/531931378.db2.gz OOCPNKDVMARLFE-QGZVFWFLSA-N 1 0 385.917 1.611 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000419409530 531931823 /nfs/dbraw/zinc/93/18/23/531931823.db2.gz ZEJVZSJZRQCGHN-LLVKDONJSA-N 1 0 389.283 1.341 20 0 GDADRO CN(C(=O)C(=O)NCc1ccc(O)c(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000419405425 531932256 /nfs/dbraw/zinc/93/22/56/531932256.db2.gz HMOMFURIERSQLL-GFCCVEGCSA-N 1 0 384.274 1.371 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000284122749 531932611 /nfs/dbraw/zinc/93/26/11/531932611.db2.gz CXYAGFLMQMWUQF-HZSPNIEDSA-N 1 0 380.539 1.503 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000419443055 531932789 /nfs/dbraw/zinc/93/27/89/531932789.db2.gz OTBTZOPMQJVUBD-JQWIXIFHSA-N 1 0 384.274 1.318 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000419442289 531933545 /nfs/dbraw/zinc/93/35/45/531933545.db2.gz NVMHKPUWXAWLOL-ZWNOBZJWSA-N 1 0 384.274 1.188 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000419466072 531934636 /nfs/dbraw/zinc/93/46/36/531934636.db2.gz VBSOWBONARVCRS-LBPRGKRZSA-N 1 0 380.286 1.417 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000419567638 531936815 /nfs/dbraw/zinc/93/68/15/531936815.db2.gz IXFSNIYDFXKTFY-MFKMUULPSA-N 1 0 388.299 1.550 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CC1(COC)CCC1 ZINC000651543693 531937141 /nfs/dbraw/zinc/93/71/41/531937141.db2.gz BWMOBVKHDPVWJP-QGZVFWFLSA-N 1 0 375.579 1.481 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000419570460 531937277 /nfs/dbraw/zinc/93/72/77/531937277.db2.gz NTPYZQPSHPYKMG-LBPRGKRZSA-N 1 0 388.299 1.517 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)[C@H]1C[NH3+] ZINC000419569601 531937380 /nfs/dbraw/zinc/93/73/80/531937380.db2.gz MFHJJKPYLGKDNM-MFKMUULPSA-N 1 0 388.299 1.502 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000419589618 531938017 /nfs/dbraw/zinc/93/80/17/531938017.db2.gz QMHOOFXGHNBSCU-NHYWBVRUSA-N 1 0 380.286 1.621 20 0 GDADRO O=C(N[C@@H]1CCc2c1cccc2Br)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419582583 531938321 /nfs/dbraw/zinc/93/83/21/531938321.db2.gz FXPNUHWKPRBMCF-BFQNTYOBSA-N 1 0 392.297 1.906 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)CC[NH2+]1 ZINC000419584267 531938336 /nfs/dbraw/zinc/93/83/36/531938336.db2.gz IRTYFCDAIWBBKY-CQSZACIVSA-N 1 0 380.286 1.763 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)CC[C@@H]1[NH3+] ZINC000419583131 531938503 /nfs/dbraw/zinc/93/85/03/531938503.db2.gz HCFGCJBCZXMGAW-ONERCXAPSA-N 1 0 380.286 1.748 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000626863594 531938834 /nfs/dbraw/zinc/93/88/34/531938834.db2.gz LDWKTAVCTZEOCL-VHSXEESVSA-N 1 0 392.257 1.588 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000626863262 531939265 /nfs/dbraw/zinc/93/92/65/531939265.db2.gz FRUXBNMELDOWCL-LSDHHAIUSA-N 1 0 397.317 1.706 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419594295 531939376 /nfs/dbraw/zinc/93/93/76/531939376.db2.gz YYXUEJYGRRDXIO-VCTAVGKDSA-N 1 0 380.286 1.667 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000569795695 531927612 /nfs/dbraw/zinc/92/76/12/531927612.db2.gz IESCMTVNAJJXSG-NSHDSACASA-N 1 0 388.281 1.751 20 0 GDADRO CC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])Cc1cccc(Br)c1 ZINC000419352226 531927980 /nfs/dbraw/zinc/92/79/80/531927980.db2.gz AIHCUVCGEWOMLZ-STQMWFEESA-N 1 0 384.318 1.845 20 0 GDADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456690561 531928152 /nfs/dbraw/zinc/92/81/52/531928152.db2.gz JQJVXWCQHQYDST-HNNXBMFYSA-N 1 0 375.579 1.919 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)Cc1cccc(Br)c1 ZINC000419355649 531928249 /nfs/dbraw/zinc/92/82/49/531928249.db2.gz FFUONLRYNMBNLI-WBMJQRKESA-N 1 0 396.329 1.988 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000626867042 531940676 /nfs/dbraw/zinc/94/06/76/531940676.db2.gz KQCGDRBGGCJHMQ-UHFFFAOYSA-N 1 0 396.644 1.532 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)[nH]1 ZINC000597180592 531940971 /nfs/dbraw/zinc/94/09/71/531940971.db2.gz SBKPQIKXMUMUBW-UHFFFAOYSA-N 1 0 381.230 1.478 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(I)c(F)cc1F ZINC000597652698 531951648 /nfs/dbraw/zinc/95/16/48/531951648.db2.gz FCNGKBGKNYDOHU-ZETCQYMHSA-N 1 0 384.164 1.222 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000270920110 531941555 /nfs/dbraw/zinc/94/15/55/531941555.db2.gz CROWNGQOXHCDRH-NSHDSACASA-N 1 0 385.258 1.762 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000270917724 531941577 /nfs/dbraw/zinc/94/15/77/531941577.db2.gz NDUOMJVANOVLLY-UHFFFAOYSA-N 1 0 377.894 1.214 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)Oc1cccc(Br)c1 ZINC000419620323 531942259 /nfs/dbraw/zinc/94/22/59/531942259.db2.gz QMQGJGYHVPWCFP-MBNYWOFBSA-N 1 0 398.301 1.589 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Oc1cccc(Br)c1 ZINC000419619338 531942896 /nfs/dbraw/zinc/94/28/96/531942896.db2.gz PKEIVSSBMRXHBH-RWMBFGLXSA-N 1 0 396.285 1.010 20 0 GDADRO CN(CCOCC[NH3+])C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000627045927 531943565 /nfs/dbraw/zinc/94/35/65/531943565.db2.gz ZKDWLRIYHRVOTB-UHFFFAOYSA-N 1 0 377.894 1.121 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)Oc1cccc(Br)c1 ZINC000419624174 531944121 /nfs/dbraw/zinc/94/41/21/531944121.db2.gz VHWIARWNPQDCEU-LBPRGKRZSA-N 1 0 398.301 1.530 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C[C@@H]1[NH+](C)C ZINC000270933646 531944651 /nfs/dbraw/zinc/94/46/51/531944651.db2.gz DCVPYZIDNXVPHK-UONOGXRCSA-N 1 0 386.930 1.949 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C[C@H]1[NH+](C)C ZINC000270933648 531944906 /nfs/dbraw/zinc/94/49/06/531944906.db2.gz DCVPYZIDNXVPHK-ZIAGYGMSSA-N 1 0 386.930 1.949 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419637885 531946482 /nfs/dbraw/zinc/94/64/82/531946482.db2.gz SSMFQBLCFAIOFU-XUJVJEKNSA-N 1 0 398.301 1.367 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)[C@@H]1CC[NH3+] ZINC000652377798 531946565 /nfs/dbraw/zinc/94/65/65/531946565.db2.gz PTLCPRRKUVEBPU-XHDPSFHLSA-N 1 0 393.506 1.335 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000419637489 531947078 /nfs/dbraw/zinc/94/70/78/531947078.db2.gz FLYQXBRNKQZQOW-KBPBESRZSA-N 1 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531949851 /nfs/dbraw/zinc/94/98/51/531949851.db2.gz UYGAGHXTYWSPJJ-MFKMUULPSA-N 1 0 381.274 1.422 20 0 GDADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000299030337 531949971 /nfs/dbraw/zinc/94/99/71/531949971.db2.gz OVYLOZJZUQKRHR-UHFFFAOYSA-N 1 0 399.289 1.188 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C[NH2+]1 ZINC000627312266 531950160 /nfs/dbraw/zinc/95/01/60/531950160.db2.gz VCDBILJBWLDJTB-OSMZGAPFSA-N 1 0 396.285 1.646 20 0 GDADRO O=C(NCCn1cc(Br)cn1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000572010275 531958221 /nfs/dbraw/zinc/95/82/21/531958221.db2.gz SZZATYBANPVHBO-UHFFFAOYSA-N 1 0 392.257 1.046 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419699907 531958803 /nfs/dbraw/zinc/95/88/03/531958803.db2.gz AHHJMWZDFPRXGF-WBMJQRKESA-N 1 0 396.329 1.988 20 0 GDADRO COc1ncc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cc1Cl ZINC000284469943 531961470 /nfs/dbraw/zinc/96/14/70/531961470.db2.gz UHHAYUPXTLYVTF-TZMCWYRMSA-N 1 0 391.921 1.883 20 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/nfs/dbraw/zinc/95/57/34/531955734.db2.gz FQQVNPUEMIIXIV-RYUDHWBXSA-N 1 0 376.475 1.278 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCn2cc(Br)ccc2=O)C[C@@H]1C ZINC000571992896 531955842 /nfs/dbraw/zinc/95/58/42/531955842.db2.gz SGUFCZSKTDXMGE-QWHCGFSZSA-N 1 0 385.306 1.735 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)s3)C[C@@H]21 ZINC000419689928 531956679 /nfs/dbraw/zinc/95/66/79/531956679.db2.gz JNIFSWYIBSPDAZ-ADEWGFFLSA-N 1 0 386.315 1.713 20 0 GDADRO CCn1c(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])nc2cc(Br)ccc21 ZINC000419754628 531965076 /nfs/dbraw/zinc/96/50/76/531965076.db2.gz AOIJKHIPJAZSDL-JTQLQIEISA-N 1 0 396.289 1.241 20 0 GDADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC000457871595 531965341 /nfs/dbraw/zinc/96/53/41/531965341.db2.gz NXVLQYARNWTKCT-UKRRQHHQSA-N 1 0 376.567 1.224 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419754454 531965566 /nfs/dbraw/zinc/96/55/66/531965566.db2.gz AIRNOAUSCPWERK-WDEREUQCSA-N 1 0 384.274 1.455 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419759873 531966053 /nfs/dbraw/zinc/96/60/53/531966053.db2.gz MSIDAYKBSNAFBE-NEPJUHHUSA-N 1 0 385.295 1.509 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cnn(-c3ccccn3)c2C)C[C@@H]1[NH+](C)C ZINC000271111148 531967672 /nfs/dbraw/zinc/96/76/72/531967672.db2.gz PVJWKCRRNVSFMA-KBPBESRZSA-N 1 0 381.527 1.242 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271124138 531968990 /nfs/dbraw/zinc/96/89/90/531968990.db2.gz QDXLEZXQAKBWEO-ZDUSSCGKSA-N 1 0 389.905 1.357 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000457919745 531969802 /nfs/dbraw/zinc/96/98/02/531969802.db2.gz DNBZTUULDHLFGP-QLFBSQMISA-N 1 0 376.567 1.370 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000369683433 531971030 /nfs/dbraw/zinc/97/10/30/531971030.db2.gz LKZXQSZPXKYOJN-RULNRJAQSA-N 1 0 376.320 1.978 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000419788313 531971045 /nfs/dbraw/zinc/97/10/45/531971045.db2.gz BDQZYLGZOCWSJF-KBPBESRZSA-N 1 0 388.295 1.617 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419811999 531971821 /nfs/dbraw/zinc/97/18/21/531971821.db2.gz HTMMDWRRFVGZCD-LALPHHSUSA-N 1 0 382.302 1.611 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419812001 531972125 /nfs/dbraw/zinc/97/21/25/531972125.db2.gz HTMMDWRRFVGZCD-YWPYICTPSA-N 1 0 382.302 1.611 20 0 GDADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CCN(C)CC2)CS1 ZINC000655716722 531975264 /nfs/dbraw/zinc/97/52/64/531975264.db2.gz YITFKFFVRYSKSO-DOTOQJQBSA-N 1 0 383.583 1.996 20 0 GDADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419832126 531975390 /nfs/dbraw/zinc/97/53/90/531975390.db2.gz JDXJFHNTFXEAJD-ZDUSSCGKSA-N 1 0 397.317 1.119 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C[C@H](C)O1 ZINC000573134343 531976374 /nfs/dbraw/zinc/97/63/74/531976374.db2.gz GNJZOMUWQDFPHQ-TXEJJXNPSA-N 1 0 389.905 1.217 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000419841812 531977226 /nfs/dbraw/zinc/97/72/26/531977226.db2.gz KVJVPLWUUHABSI-CYBMUJFWSA-N 1 0 398.276 1.947 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000419846583 531977703 /nfs/dbraw/zinc/97/77/03/531977703.db2.gz RUYSXXBDLDIILU-SWLSCSKDSA-N 1 0 386.279 1.762 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000419846754 531977801 /nfs/dbraw/zinc/97/78/01/531977801.db2.gz QIUAIKPKNVAIIE-UHFFFAOYSA-N 1 0 382.302 1.665 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419849401 531977841 /nfs/dbraw/zinc/97/78/41/531977841.db2.gz YKBFQFCSIXUBDP-RYUDHWBXSA-N 1 0 380.286 1.763 20 0 GDADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000419854221 531978026 /nfs/dbraw/zinc/97/80/26/531978026.db2.gz UUYWXYYESPQENQ-HNNXBMFYSA-N 1 0 386.279 1.762 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419865062 531978861 /nfs/dbraw/zinc/97/88/61/531978861.db2.gz SVQVVWLWDRZXQN-STQMWFEESA-N 1 0 394.313 1.838 20 0 GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419991175 531992438 /nfs/dbraw/zinc/99/24/38/531992438.db2.gz KNULGQXKKKCGOP-AAEUAGOBSA-N 1 0 382.302 1.966 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)cc1 ZINC000573903569 531992761 /nfs/dbraw/zinc/99/27/61/531992761.db2.gz URUGXIGORLLZLY-KRWDZBQOSA-N 1 0 386.539 1.336 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1OC ZINC000598727552 531993099 /nfs/dbraw/zinc/99/30/99/531993099.db2.gz XJAJVFFPMZDHSN-MGPLVRAMSA-N 1 0 388.873 1.637 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000574082971 531994476 /nfs/dbraw/zinc/99/44/76/531994476.db2.gz WRPKCDPLZCWRNA-OCCSQVGLSA-N 1 0 379.404 1.617 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000657060914 531994552 /nfs/dbraw/zinc/99/45/52/531994552.db2.gz JXXAJQVQRXKROW-ZDUSSCGKSA-N 1 0 389.543 1.088 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419883001 531981257 /nfs/dbraw/zinc/98/12/57/531981257.db2.gz CXGIEJWRSMNBKZ-XHDPSFHLSA-N 1 0 380.286 1.591 20 0 GDADRO CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1cccs1)[C@H]1CCOC1 ZINC000656930860 531981537 /nfs/dbraw/zinc/98/15/37/531981537.db2.gz LEOSTARREMDWRP-HOCLYGCPSA-N 1 0 376.544 1.493 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000573370988 531981745 /nfs/dbraw/zinc/98/17/45/531981745.db2.gz RVDAIHYPRADNBX-JTQLQIEISA-N 1 0 380.297 1.340 20 0 GDADRO C[C@@]([NH3+])(C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1 ZINC000573367239 531982103 /nfs/dbraw/zinc/98/21/03/531982103.db2.gz NYOGZNMGECSVPY-DIFFPNOSSA-N 1 0 380.286 1.750 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)Cc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000419888771 531982218 /nfs/dbraw/zinc/98/22/18/531982218.db2.gz MCPHGKQUKVJWRJ-JSGCOSHPSA-N 1 0 382.302 1.912 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000419890131 531982459 /nfs/dbraw/zinc/98/24/59/531982459.db2.gz HVLAEOKGGNRARF-DOMZBBRYSA-N 1 0 386.279 1.762 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419901620 531983571 /nfs/dbraw/zinc/98/35/71/531983571.db2.gz USJJANJHQBDZIP-LSDHHAIUSA-N 1 0 382.302 1.836 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419897487 531984083 /nfs/dbraw/zinc/98/40/83/531984083.db2.gz ZAVGVKGLHWFEGO-AWEZNQCLSA-N 1 0 380.286 1.417 20 0 GDADRO CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000419896612 531984123 /nfs/dbraw/zinc/98/41/23/531984123.db2.gz UMRZEWYGPDKYLQ-TZMCWYRMSA-N 1 0 396.285 1.599 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)[C@H]1CCCO1)c1cccc(Br)c1 ZINC000629590376 531984652 /nfs/dbraw/zinc/98/46/52/531984652.db2.gz XLVNXYAKNQWUOF-ZIAGYGMSSA-N 1 0 378.288 1.352 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000573437333 531984900 /nfs/dbraw/zinc/98/49/00/531984900.db2.gz AZVPCXKFGBPJNX-RULNRJAQSA-N 1 0 379.935 1.525 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419907263 531985450 /nfs/dbraw/zinc/98/54/50/531985450.db2.gz BORFPYJTUYTSNH-ZDUSSCGKSA-N 1 0 398.301 1.402 20 0 GDADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419918451 531986782 /nfs/dbraw/zinc/98/67/82/531986782.db2.gz CZLBXMWPZWAMRG-AWEZNQCLSA-N 1 0 396.285 1.457 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000419929848 531987689 /nfs/dbraw/zinc/98/76/89/531987689.db2.gz WRXUODXFCGCXIZ-OAHLLOKOSA-N 1 0 395.301 1.188 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000419934970 531987701 /nfs/dbraw/zinc/98/77/01/531987701.db2.gz CEFSKORWESFGAX-SWLSCSKDSA-N 1 0 397.317 1.563 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419929406 531987908 /nfs/dbraw/zinc/98/79/08/531987908.db2.gz VNHRQMSJTJQXKJ-CYBMUJFWSA-N 1 0 380.286 1.448 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000598615772 531988826 /nfs/dbraw/zinc/98/88/26/531988826.db2.gz DVBJOTIICJWZJX-AWEZNQCLSA-N 1 0 393.303 1.366 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000657040836 531988917 /nfs/dbraw/zinc/98/89/17/531988917.db2.gz SVFRVUFPTHRUEA-UHFFFAOYSA-N 1 0 376.910 1.243 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000419944079 531989441 /nfs/dbraw/zinc/98/94/41/531989441.db2.gz AGHOVLNKNYCQJI-GFCCVEGCSA-N 1 0 382.302 1.866 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000419969617 531990751 /nfs/dbraw/zinc/99/07/51/531990751.db2.gz AGAODKOLDKUTKO-QGZVFWFLSA-N 1 0 397.313 1.869 20 0 GDADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420018096 531995957 /nfs/dbraw/zinc/99/59/57/531995957.db2.gz XJDHDDFCTNORCU-ZWNOBZJWSA-N 1 0 384.274 1.585 20 0 GDADRO NS(=O)(=O)c1cc(CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1Cl ZINC000631090063 531996852 /nfs/dbraw/zinc/99/68/52/531996852.db2.gz FDDVZABGRGNLLV-HZPDHXFCSA-N 1 0 387.933 1.455 20 0 GDADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000299550786 532000205 /nfs/dbraw/zinc/00/02/05/532000205.db2.gz UYXJHVQZAFAFIF-UHFFFAOYSA-N 1 0 384.933 1.900 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)[NH+](C)C ZINC000657088128 532002415 /nfs/dbraw/zinc/00/24/15/532002415.db2.gz BAHODQGHLVTKDP-NSHDSACASA-N 1 0 381.420 1.597 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000284878378 532002489 /nfs/dbraw/zinc/00/24/89/532002489.db2.gz VPKUVKKLNLSASP-UHFFFAOYSA-N 1 0 383.290 1.973 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000420096254 532000686 /nfs/dbraw/zinc/00/06/86/532000686.db2.gz GRPCAMOYMGVPGG-ZLDLUXBVSA-N 1 0 395.301 1.622 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420085688 532001632 /nfs/dbraw/zinc/00/16/32/532001632.db2.gz BNKXXUITRRZBPT-UHFFFAOYSA-N 1 0 394.313 1.937 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)NC[C@@H](C)[NH2+]C ZINC000420118568 532004187 /nfs/dbraw/zinc/00/41/87/532004187.db2.gz IPJCKRLWAHDPEM-GFCCVEGCSA-N 1 0 386.290 1.401 20 0 GDADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000657428930 532004402 /nfs/dbraw/zinc/00/44/02/532004402.db2.gz NWONFIOGHGYZNQ-UKRRQHHQSA-N 1 0 389.315 1.978 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000420127034 532004505 /nfs/dbraw/zinc/00/45/05/532004505.db2.gz OSYIUPUBHNUTDF-AAEUAGOBSA-N 1 0 398.301 1.673 20 0 GDADRO O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000370965443 532004711 /nfs/dbraw/zinc/00/47/11/532004711.db2.gz NSGMAQPZRPJVJR-CYBMUJFWSA-N 1 0 394.273 1.992 20 0 GDADRO CC1(CNC(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC[NH2+]CC1 ZINC000420128546 532004811 /nfs/dbraw/zinc/00/48/11/532004811.db2.gz UUCQXZGHDQWKSG-UHFFFAOYSA-N 1 0 394.313 1.840 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000420135737 532005418 /nfs/dbraw/zinc/00/54/18/532005418.db2.gz VOHAKXIYACAMOK-NHYWBVRUSA-N 1 0 398.301 1.530 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1cccc(Br)n1 ZINC000284907309 532005455 /nfs/dbraw/zinc/00/54/55/532005455.db2.gz XELWUNOAEDWMDL-GFCCVEGCSA-N 1 0 399.289 1.136 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420141360 532005560 /nfs/dbraw/zinc/00/55/60/532005560.db2.gz RJZZPUVBBMBMOA-LBPRGKRZSA-N 1 0 392.297 1.758 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599103736 532006067 /nfs/dbraw/zinc/00/60/67/532006067.db2.gz KJKFEMWAPGZLRK-GXSJLCMTSA-N 1 0 380.388 1.911 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420178192 532007093 /nfs/dbraw/zinc/00/70/93/532007093.db2.gz AJZPEGSPISKDTJ-OAHLLOKOSA-N 1 0 398.301 1.211 20 0 GDADRO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574989550 532007433 /nfs/dbraw/zinc/00/74/33/532007433.db2.gz WUBXLBIXHQOCHC-CYBMUJFWSA-N 1 0 380.901 1.556 20 0 GDADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420201347 532009451 /nfs/dbraw/zinc/00/94/51/532009451.db2.gz OIQGGUYVCYWWJE-CMPLNLGQSA-N 1 0 386.279 1.544 20 0 GDADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000575073828 532009632 /nfs/dbraw/zinc/00/96/32/532009632.db2.gz YMXFYCBPOKWLTL-JRPNMDOOSA-N 1 0 385.295 1.878 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)cc1Br ZINC000657618513 532013367 /nfs/dbraw/zinc/01/33/67/532013367.db2.gz GLOZMAXRBKYGIK-LLVKDONJSA-N 1 0 385.230 1.610 20 0 GDADRO C[C@@H](C[NH2+]Cc1cn(CC(N)=O)nn1)Sc1ccc(Br)cc1 ZINC000459402193 532012215 /nfs/dbraw/zinc/01/22/15/532012215.db2.gz NLVFZEPYRLPUET-JTQLQIEISA-N 1 0 384.303 1.796 20 0 GDADRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000657606475 532014434 /nfs/dbraw/zinc/01/44/34/532014434.db2.gz UTUWTIPXIJTWHK-SJORKVTESA-N 1 0 390.908 1.845 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NCCC[NH2+]C2CC2)cc1Br ZINC000420451879 532015874 /nfs/dbraw/zinc/01/58/74/532015874.db2.gz RGCRJHPSFMLIAL-UHFFFAOYSA-N 1 0 393.303 1.887 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000420451887 532015929 /nfs/dbraw/zinc/01/59/29/532015929.db2.gz RGTCYJPWKIWECM-NSHDSACASA-N 1 0 391.291 1.683 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000657864919 532016249 /nfs/dbraw/zinc/01/62/49/532016249.db2.gz OTSZAWJGOIFDQE-UHFFFAOYSA-N 1 0 390.253 1.577 20 0 GDADRO COc1ncc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)c(C)c1Br ZINC000657866521 532015660 /nfs/dbraw/zinc/01/56/60/532015660.db2.gz KJNXYPUQKTXBHU-UHFFFAOYSA-N 1 0 399.289 1.652 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657864039 532015714 /nfs/dbraw/zinc/01/57/14/532015714.db2.gz JEWJWPLSIAVLNL-UHFFFAOYSA-N 1 0 394.216 1.408 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000420452424 532015822 /nfs/dbraw/zinc/01/58/22/532015822.db2.gz SKGJBTVKCXHEON-HNNXBMFYSA-N 1 0 389.543 1.649 20 0 GDADRO C[NH+](C)CC1(CNC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CCCC1 ZINC000576253956 532020628 /nfs/dbraw/zinc/02/06/28/532020628.db2.gz QXGSLOGROUEUDW-UHFFFAOYSA-N 1 0 386.543 1.858 20 0 GDADRO CN(CC[NH3+])S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000420470702 532020989 /nfs/dbraw/zinc/02/09/89/532020989.db2.gz NSNIYTZUPXCZPD-UHFFFAOYSA-N 1 0 377.182 1.927 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000420480135 532021979 /nfs/dbraw/zinc/02/19/79/532021979.db2.gz OCPBUKFLGQMMFP-ZFWWWQNUSA-N 1 0 388.511 1.442 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000285071979 532027053 /nfs/dbraw/zinc/02/70/53/532027053.db2.gz OPUUDDDPSYLKQK-TUAOUCFPSA-N 1 0 385.559 1.359 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000285061117 532026063 /nfs/dbraw/zinc/02/60/63/532026063.db2.gz OPFZTKJNTYVQON-CQSZACIVSA-N 1 0 396.285 1.599 20 0 GDADRO CCOC(=O)C[C@@H](O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000599341114 532030472 /nfs/dbraw/zinc/03/04/72/532030472.db2.gz GQHOWVVFJKQKLM-LLVKDONJSA-N 1 0 375.263 1.905 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000632488380 532034180 /nfs/dbraw/zinc/03/41/80/532034180.db2.gz UHEAFHVYSYUGTK-UHFFFAOYSA-N 1 0 389.543 1.601 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3cc(F)cc(Br)c3)CCN2C1=O ZINC000577412094 532036605 /nfs/dbraw/zinc/03/66/05/532036605.db2.gz QQQJRERSSSRPPQ-QWHCGFSZSA-N 1 0 385.237 1.042 20 0 GDADRO CO[C@H](CC(C)C)CS(=O)(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420689340 532039236 /nfs/dbraw/zinc/03/92/36/532039236.db2.gz NUDSFBYKSUXTKN-SJLPKXTDSA-N 1 0 375.579 1.478 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000460219744 532040207 /nfs/dbraw/zinc/04/02/07/532040207.db2.gz YHZGCJKPZJVUSC-SJCJKPOMSA-N 1 0 387.311 1.938 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000460223327 532040340 /nfs/dbraw/zinc/04/03/40/532040340.db2.gz XUGPDPURKUCVJZ-KRWDZBQOSA-N 1 0 395.301 1.839 20 0 GDADRO CN(CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000632856980 532042658 /nfs/dbraw/zinc/04/26/58/532042658.db2.gz QCZIIOHLVOXIFF-CZUORRHYSA-N 1 0 385.917 1.561 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2c(Br)cnn2C)C[C@@H](C)O1 ZINC000632852676 532042756 /nfs/dbraw/zinc/04/27/56/532042756.db2.gz CWENECIOEHBLTF-VXGBXAGGSA-N 1 0 388.310 1.481 20 0 GDADRO C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000577942388 532043042 /nfs/dbraw/zinc/04/30/42/532043042.db2.gz YAMCCXRHXYMTDG-MNOVXSKESA-N 1 0 394.950 1.306 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000578379617 532046005 /nfs/dbraw/zinc/04/60/05/532046005.db2.gz DRXUYFBWHUJFTK-WMLDXEAASA-N 1 0 383.286 1.778 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(CC(F)(F)F)C(=O)C1)c1cccs1 ZINC000285202348 532047815 /nfs/dbraw/zinc/04/78/15/532047815.db2.gz WBVJMDDAGXTYNQ-NSHDSACASA-N 1 0 378.420 1.767 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000372940172 532054987 /nfs/dbraw/zinc/05/49/87/532054987.db2.gz XKZYHJNFWCLUEF-MRXNPFEDSA-N 1 0 382.302 1.806 20 0 GDADRO CC(C)(C[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)NS(C)(=O)=O ZINC000634703854 532055489 /nfs/dbraw/zinc/05/54/89/532055489.db2.gz CBISZIVJPLJLTF-LBPRGKRZSA-N 1 0 385.313 1.651 20 0 GDADRO Cn1cc(Br)c(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000634716706 532055692 /nfs/dbraw/zinc/05/56/92/532055692.db2.gz YNBNVELRHSRJBD-QGZVFWFLSA-N 1 0 379.302 1.909 20 0 GDADRO C[C@@](O)(C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000634709155 532056131 /nfs/dbraw/zinc/05/61/31/532056131.db2.gz FHLULVQVAKJYKU-BXUZGUMPSA-N 1 0 382.935 1.181 20 0 GDADRO O=C1CNC(=O)N1CCC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634704492 532056197 /nfs/dbraw/zinc/05/61/97/532056197.db2.gz LNVULIPDPBZAIV-LBPRGKRZSA-N 1 0 376.240 1.265 20 0 GDADRO O[C@@H](C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)CC1(O)CCOCC1 ZINC000634712443 532056376 /nfs/dbraw/zinc/05/63/76/532056376.db2.gz GKFSBEAPCVCVJG-NVXWUHKLSA-N 1 0 399.329 1.910 20 0 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1.221 20 0 GDADRO CS[C@@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)C[C@@H]1[NH+](C)C ZINC000331444964 532144269 /nfs/dbraw/zinc/14/42/69/532144269.db2.gz HUSRYPBDALBZGO-WDEREUQCSA-N 1 0 384.303 1.609 20 0 GDADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1cnc2c(Br)cccn12 ZINC000425673055 532145656 /nfs/dbraw/zinc/14/56/56/532145656.db2.gz MKTNYNXPHQGJAC-UHFFFAOYSA-N 1 0 396.289 1.923 20 0 GDADRO COc1c(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc(Cl)cc1C(N)=O ZINC000286394661 532147204 /nfs/dbraw/zinc/14/72/04/532147204.db2.gz QSGHJZYBDDJPKI-OLZOCXBDSA-N 1 0 386.905 1.957 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1ncc(I)s1 ZINC000286418107 532148739 /nfs/dbraw/zinc/14/87/39/532148739.db2.gz IFLUSDCHCGMWEU-VIFPVBQESA-N 1 0 394.282 1.177 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)CC2 ZINC000332141769 532166114 /nfs/dbraw/zinc/16/61/14/532166114.db2.gz JNGRNCYJDPIYAJ-GXTWGEPZSA-N 1 0 394.313 1.838 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)CC2 ZINC000332141770 532166168 /nfs/dbraw/zinc/16/61/68/532166168.db2.gz JNGRNCYJDPIYAJ-JSGCOSHPSA-N 1 0 394.313 1.838 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000332195144 532169995 /nfs/dbraw/zinc/16/99/95/532169995.db2.gz YSMHAIZBYLSZES-KGLIPLIRSA-N 1 0 383.539 1.575 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000286511626 532156189 /nfs/dbraw/zinc/15/61/89/532156189.db2.gz OITSEOJDLWHSBJ-RISCZKNCSA-N 1 0 398.301 1.845 20 0 GDADRO CC(C)(C)NC(=O)NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000286520255 532156556 /nfs/dbraw/zinc/15/65/56/532156556.db2.gz NDNVAPXORIBWSO-INIZCTEOSA-N 1 0 386.290 1.871 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)sc1S(N)(=O)=O ZINC000286539184 532158270 /nfs/dbraw/zinc/15/82/70/532158270.db2.gz WLJFSQCALARDOE-ZJUUUORDSA-N 1 0 377.919 1.524 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000332085511 532163175 /nfs/dbraw/zinc/16/31/75/532163175.db2.gz QOVGIMJBTREOTB-GJZGRUSLSA-N 1 0 385.511 1.069 20 0 GDADRO CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000332099445 532163459 /nfs/dbraw/zinc/16/34/59/532163459.db2.gz BUWONEABGNKFLZ-AWEZNQCLSA-N 1 0 387.311 1.882 20 0 GDADRO O=C(C[N@H+]1CCC[C@@H]1CCO)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000426208556 532164435 /nfs/dbraw/zinc/16/44/35/532164435.db2.gz DDJHVDWCEDDKOS-CQSZACIVSA-N 1 0 387.311 1.884 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1[NH+](C)C ZINC000273799622 532170871 /nfs/dbraw/zinc/17/08/71/532170871.db2.gz ZPBNGSVAWUWCHB-CABCVRRESA-N 1 0 386.543 1.446 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000332302068 532179083 /nfs/dbraw/zinc/17/90/83/532179083.db2.gz KWHKTOLKIRLFQN-WCQYABFASA-N 1 0 380.286 1.924 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375744991 532181892 /nfs/dbraw/zinc/18/18/92/532181892.db2.gz UERJCEWYDXZJED-LBPRGKRZSA-N 1 0 397.317 1.756 20 0 GDADRO NS(=O)(=O)c1cnc(N2CCC([NH2+]CCOc3ccccc3)CC2)s1 ZINC000427380281 532182196 /nfs/dbraw/zinc/18/21/96/532182196.db2.gz SYQFVLHLACBUNT-UHFFFAOYSA-N 1 0 382.511 1.428 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000332234731 532173526 /nfs/dbraw/zinc/17/35/26/532173526.db2.gz GCVHPIISTQQVLK-LLVKDONJSA-N 1 0 380.286 1.924 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)C[NH+](C)C ZINC000286930095 532185640 /nfs/dbraw/zinc/18/56/40/532185640.db2.gz JDECDWCHTZCAOS-JSGCOSHPSA-N 1 0 391.534 1.292 20 0 GDADRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000427949866 532194397 /nfs/dbraw/zinc/19/43/97/532194397.db2.gz LFULPEXHGZXAHP-CQSZACIVSA-N 1 0 389.543 1.267 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427938608 532194492 /nfs/dbraw/zinc/19/44/92/532194492.db2.gz DJRNREBTIOVPII-BXUZGUMPSA-N 1 0 392.930 1.257 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000376056761 532194583 /nfs/dbraw/zinc/19/45/83/532194583.db2.gz LYGMQOHRPGLYKF-DGCLKSJQSA-N 1 0 391.335 1.580 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1Br ZINC000332544001 532194614 /nfs/dbraw/zinc/19/46/14/532194614.db2.gz FHSUGFNHEIRRHB-WDEREUQCSA-N 1 0 384.249 1.903 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)[C@H](C)C[NH2+]1 ZINC000332547691 532194619 /nfs/dbraw/zinc/19/46/19/532194619.db2.gz NWCJNGIBHILIFG-VXGBXAGGSA-N 1 0 398.305 1.895 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](CC[NH3+])c3ccccc32)cn1 ZINC000376102367 532195347 /nfs/dbraw/zinc/19/53/47/532195347.db2.gz HLHBJZPZCHZUKI-GFCCVEGCSA-N 1 0 381.479 1.126 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000332566393 532195898 /nfs/dbraw/zinc/19/58/98/532195898.db2.gz XMRHSKDSXAYYSR-LBPRGKRZSA-N 1 0 398.305 1.896 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)s1 ZINC000287122061 532196881 /nfs/dbraw/zinc/19/68/81/532196881.db2.gz AGOMZYSYYPLEIN-UHFFFAOYSA-N 1 0 390.531 1.269 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1C(F)(F)F ZINC000376157413 532197081 /nfs/dbraw/zinc/19/70/81/532197081.db2.gz QICVLXAOIFZWPN-SNVBAGLBSA-N 1 0 380.388 1.912 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000332600686 532199130 /nfs/dbraw/zinc/19/91/30/532199130.db2.gz HBFVIPRAGJFLIP-OAGGEKHMSA-N 1 0 380.576 1.099 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000428178189 532200362 /nfs/dbraw/zinc/20/03/62/532200362.db2.gz BYNUZLNXGHIWNC-UHFFFAOYSA-N 1 0 394.269 1.115 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)C[C@@H]1C[NH3+] ZINC000332620894 532200698 /nfs/dbraw/zinc/20/06/98/532200698.db2.gz RDFRNRWVQBENOO-WFASDCNBSA-N 1 0 394.313 1.777 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000274129677 532187695 /nfs/dbraw/zinc/18/76/95/532187695.db2.gz DWSVLSRITBGCBE-INIZCTEOSA-N 1 0 387.889 1.348 20 0 GDADRO O=S(=O)(CC1CCS(=O)(=O)CC1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000376313685 532204760 /nfs/dbraw/zinc/20/47/60/532204760.db2.gz IXBWXPZCSZAMGN-QGZVFWFLSA-N 1 0 392.587 1.528 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000332671647 532204868 /nfs/dbraw/zinc/20/48/68/532204868.db2.gz NCGAQQSMVRSPCZ-SMDDNHRTSA-N 1 0 381.274 1.558 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000287327601 532209297 /nfs/dbraw/zinc/20/92/97/532209297.db2.gz FTUQMIYZUARFIM-LBPRGKRZSA-N 1 0 384.274 1.652 20 0 GDADRO COc1cc(Br)ccc1C[NH2+]CCNS(=O)(=O)NC(C)C ZINC000428558923 532210755 /nfs/dbraw/zinc/21/07/55/532210755.db2.gz OKKPQEOPWDJFSL-UHFFFAOYSA-N 1 0 380.308 1.380 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1)[NH+](C)C ZINC000287389959 532212946 /nfs/dbraw/zinc/21/29/46/532212946.db2.gz JEDWVRKYHCNWLU-SSDOTTSWSA-N 1 0 397.195 1.868 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000428744396 532215979 /nfs/dbraw/zinc/21/59/79/532215979.db2.gz ZFYKUVPSGMOLJH-NSHDSACASA-N 1 0 389.315 1.727 20 0 GDADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000428896009 532218806 /nfs/dbraw/zinc/21/88/06/532218806.db2.gz RRKIJPPCOFFVCM-UHFFFAOYSA-N 1 0 382.408 1.553 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000428241786 532201281 /nfs/dbraw/zinc/20/12/81/532201281.db2.gz FBNAQHANVITHGX-ZFWWWQNUSA-N 1 0 394.317 1.991 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCc2nccs2)c1 ZINC000274300888 532201777 /nfs/dbraw/zinc/20/17/77/532201777.db2.gz SHQKXCJMKKCGMK-UHFFFAOYSA-N 1 0 382.511 1.554 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC[C@@H]1[NH3+] ZINC000332654408 532202930 /nfs/dbraw/zinc/20/29/30/532202930.db2.gz YYNGGSLNWDYRCE-NHYWBVRUSA-N 1 0 380.286 1.530 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2CSCCS2)o1 ZINC000287615554 532227516 /nfs/dbraw/zinc/22/75/16/532227516.db2.gz NFRDNEAWEADMFT-OAHLLOKOSA-N 1 0 385.555 1.443 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000287610510 532227523 /nfs/dbraw/zinc/22/75/23/532227523.db2.gz ZRRJDAXQWGOLPB-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO C[C@@H](CNC(=O)c1c(I)cnn1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000429835473 532235816 /nfs/dbraw/zinc/23/58/16/532235816.db2.gz YBSZAVIVBPSDAH-MNOVXSKESA-N 1 0 390.269 1.875 20 0 GDADRO C[C@H]1Cc2cc(S(=O)(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cc(Cl)c2O1 ZINC000376780609 532228819 /nfs/dbraw/zinc/22/88/19/532228819.db2.gz XZLXGYBUFILVRR-JSGCOSHPSA-N 1 0 385.917 1.332 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)C1 ZINC000429443888 532228929 /nfs/dbraw/zinc/22/89/29/532228929.db2.gz GZXZZGYZDBXSSD-HIFRSBDPSA-N 1 0 376.316 1.767 20 0 GDADRO O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000429640558 532231971 /nfs/dbraw/zinc/23/19/71/532231971.db2.gz NZHTXFWLIFYCIA-QLFBSQMISA-N 1 0 383.539 1.644 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC[C@H]1[NH3+] ZINC000333390188 532232172 /nfs/dbraw/zinc/23/21/72/532232172.db2.gz XILXDMAIGNKGAA-WCQYABFASA-N 1 0 398.305 1.882 20 0 GDADRO CCC[C@@](C)([NH3+])C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000429733001 532232935 /nfs/dbraw/zinc/23/29/35/532232935.db2.gz AEXVEGJOHUXAFZ-MRXNPFEDSA-N 1 0 375.441 1.315 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3ccc4ncsc4c3)C2)CC1 ZINC000274627830 532221451 /nfs/dbraw/zinc/22/14/51/532221451.db2.gz AZTXGVBQCQRVAJ-CQSZACIVSA-N 1 0 380.539 1.697 20 0 GDADRO C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000429138789 532223930 /nfs/dbraw/zinc/22/39/30/532223930.db2.gz DKBBMQVFYPZMBD-RISCZKNCSA-N 1 0 389.315 1.560 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)s1 ZINC000376682964 532224370 /nfs/dbraw/zinc/22/43/70/532224370.db2.gz WVJALQIQHPGDJE-RBSFLKMASA-N 1 0 383.539 1.420 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000333562868 532240430 /nfs/dbraw/zinc/24/04/30/532240430.db2.gz LNKPZCHMDSYLGN-ZDUSSCGKSA-N 1 0 385.295 1.956 20 0 GDADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000333688240 532244635 /nfs/dbraw/zinc/24/46/35/532244635.db2.gz 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Cc1csc(S(=O)(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000333478564 532238257 /nfs/dbraw/zinc/23/82/57/532238257.db2.gz XNZHVFRYKPOEPJ-MRXNPFEDSA-N 1 0 387.571 1.472 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)Nc1ccc2nccnc2c1Br ZINC000287747566 532238266 /nfs/dbraw/zinc/23/82/66/532238266.db2.gz PSNSXAALOYEKHY-UHFFFAOYSA-N 1 0 382.262 1.828 20 0 GDADRO C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1cc2c(cc1Br)OCCO2 ZINC000429898064 532238501 /nfs/dbraw/zinc/23/85/01/532238501.db2.gz NFRDCYQBFFVRLI-QWRGUYRKSA-N 1 0 385.258 1.776 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000275148128 532269859 /nfs/dbraw/zinc/26/98/59/532269859.db2.gz RJQZSIYWRHBSDU-HOTGVXAUSA-N 1 0 383.539 1.127 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430723207 532256288 /nfs/dbraw/zinc/25/62/88/532256288.db2.gz OKAYXNXPSFEVKC-GXSJLCMTSA-N 1 0 379.276 1.163 20 0 GDADRO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377348841 532256442 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Cc1c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cccc1-c1nn[nH]n1 ZINC000822045957 607276736 /nfs/dbraw/zinc/27/67/36/607276736.db2.gz VSWKZSCYDWIKGC-CQSZACIVSA-N 1 0 383.456 1.058 20 0 GDADRO O=C(CCCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822955354 607300942 /nfs/dbraw/zinc/30/09/42/607300942.db2.gz QYPUCASRZFFGQK-HNNXBMFYSA-N 1 0 397.483 1.576 20 0 GDADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820044598 607301301 /nfs/dbraw/zinc/30/13/01/607301301.db2.gz HPOUHRBHUYXONX-QGZVFWFLSA-N 1 0 399.499 1.774 20 0 GDADRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000736010445 599267793 /nfs/dbraw/zinc/26/77/93/599267793.db2.gz QQRIERVIEXVWDN-CYBMUJFWSA-N 1 0 399.890 1.933 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820260518 607319167 /nfs/dbraw/zinc/31/91/67/607319167.db2.gz HWRSOQYTUBVBHD-OAHLLOKOSA-N 1 0 399.499 1.966 20 0 GDADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000736291588 599288950 /nfs/dbraw/zinc/28/89/50/599288950.db2.gz GBDDEWXNDCQXFP-BBRMVZONSA-N 1 0 380.456 1.975 20 0 GDADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736295537 599289104 /nfs/dbraw/zinc/28/91/04/599289104.db2.gz VHVIAFQGGCHVBA-CZUORRHYSA-N 1 0 380.456 1.975 20 0 GDADRO CC(C)N1C(=O)N[C@@]2(CC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)C1=O ZINC000735876060 599290554 /nfs/dbraw/zinc/29/05/54/599290554.db2.gz UIBNECOMJKXNFX-LJQANCHMSA-N 1 0 399.455 1.040 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820979339 607338687 /nfs/dbraw/zinc/33/86/87/607338687.db2.gz HACPVEDAJXNXTF-CYBMUJFWSA-N 1 0 389.435 1.325 20 0 GDADRO CC[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736403537 598232722 /nfs/dbraw/zinc/23/27/22/598232722.db2.gz WADJGVMXJZCYNK-DJJJIMSYSA-N 1 0 383.456 1.713 20 0 GDADRO CC[N@H+](CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)[C@H](C)C(C)C ZINC000736556504 598233732 /nfs/dbraw/zinc/23/37/32/598233732.db2.gz WKLPZZUAWQZDCA-BFUOFWGJSA-N 1 0 385.472 1.958 20 0 GDADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736768208 598234470 /nfs/dbraw/zinc/23/44/70/598234470.db2.gz ASVPZEWHKNFRAQ-UHFFFAOYSA-N 1 0 380.452 1.780 20 0 GDADRO CC[C@H](C)[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1CCCOC ZINC000736322932 598247309 /nfs/dbraw/zinc/24/73/09/598247309.db2.gz RNQKBPXKOZQOBE-LBPRGKRZSA-N 1 0 377.493 1.990 20 0 GDADRO CC(C)C(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735684725 598250827 /nfs/dbraw/zinc/25/08/27/598250827.db2.gz IJBMEKAMMQXDFC-INIZCTEOSA-N 1 0 385.472 1.432 20 0 GDADRO O[C@H](Cc1ccccc1)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738385939 598256558 /nfs/dbraw/zinc/25/65/58/598256558.db2.gz JKILZXAWNKTQFE-QGZVFWFLSA-N 1 0 382.443 1.731 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736529974 598263882 /nfs/dbraw/zinc/26/38/82/598263882.db2.gz CSCJQWLVTHGAEV-OAHLLOKOSA-N 1 0 389.504 1.928 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000737294399 598265768 /nfs/dbraw/zinc/26/57/68/598265768.db2.gz NCETXRNAZJHZJU-UHFFFAOYSA-N 1 0 385.472 1.942 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1=O ZINC000497842320 598271946 /nfs/dbraw/zinc/27/19/46/598271946.db2.gz VJIABDPJHZGUGR-HOCLYGCPSA-N 1 0 383.456 1.138 20 0 GDADRO Cc1cccnc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737437052 598273882 /nfs/dbraw/zinc/27/38/82/598273882.db2.gz VWKZFFRSZDBXPN-UHFFFAOYSA-N 1 0 394.483 1.844 20 0 GDADRO CCn1cc(NC(=S)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000736721886 598295768 /nfs/dbraw/zinc/29/57/68/598295768.db2.gz GARSDGGBVUYIDN-UHFFFAOYSA-N 1 0 399.528 1.844 20 0 GDADRO C[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000736267958 598325365 /nfs/dbraw/zinc/32/53/65/598325365.db2.gz VGTRNJQBPZHNGV-OLZOCXBDSA-N 1 0 375.452 1.925 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820126656 607350209 /nfs/dbraw/zinc/35/02/09/607350209.db2.gz CVQAEMBTGFVREZ-UHFFFAOYSA-N 1 0 383.500 1.497 20 0 GDADRO C[C@H]([N@H+](C)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)C(C)(C)C ZINC000736097930 598333903 /nfs/dbraw/zinc/33/39/03/598333903.db2.gz RIPNUFWKDIVQRR-ZDUSSCGKSA-N 1 0 385.472 1.955 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(-c4nn[nH]n4)s3)CC2)CC1 ZINC000820126614 607350389 /nfs/dbraw/zinc/35/03/89/607350389.db2.gz BCTFAMKWQCVWDH-UHFFFAOYSA-N 1 0 389.529 1.559 20 0 GDADRO Cc1nc(CN2CCC[C@H]([N@H+](C)Cc3ccc(F)cc3-c3nn[nH]n3)C2)no1 ZINC000737478568 598347501 /nfs/dbraw/zinc/34/75/01/598347501.db2.gz UDEHAAXNIJUROR-HNNXBMFYSA-N 1 0 386.435 1.794 20 0 GDADRO Cn1cc(CN2CCC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000737602544 598350038 /nfs/dbraw/zinc/35/00/38/598350038.db2.gz QPEFCUNJSPSZCX-UHFFFAOYSA-N 1 0 382.472 1.187 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000736860273 598353536 /nfs/dbraw/zinc/35/35/36/598353536.db2.gz NGUGQYJFBOBCPM-KBPBESRZSA-N 1 0 375.502 1.815 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737005521 598363209 /nfs/dbraw/zinc/36/32/09/598363209.db2.gz BMSFEDXZOBVPKS-WMZOPIPTSA-N 1 0 399.499 1.063 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737005511 598363565 /nfs/dbraw/zinc/36/35/65/598363565.db2.gz BMSFEDXZOBVPKS-AEFFLSMTSA-N 1 0 399.499 1.063 20 0 GDADRO CC[C@H]1CN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000736406775 598365600 /nfs/dbraw/zinc/36/56/00/598365600.db2.gz BUIBKBRSEUXYMP-HNNXBMFYSA-N 1 0 387.488 1.238 20 0 GDADRO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737512165 598368733 /nfs/dbraw/zinc/36/87/33/598368733.db2.gz XCCWGJRSWRTRJQ-SJLPKXTDSA-N 1 0 397.483 1.794 20 0 GDADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000736169189 598424253 /nfs/dbraw/zinc/42/42/53/598424253.db2.gz KKGRGPPYWOVBSK-HNNXBMFYSA-N 1 0 395.467 1.619 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000736989808 598430268 /nfs/dbraw/zinc/43/02/68/598430268.db2.gz IZMSZBAFESNWTE-UHFFFAOYSA-N 1 0 375.477 1.365 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000736573168 598436124 /nfs/dbraw/zinc/43/61/24/598436124.db2.gz XTETVFJPKVWICD-CYBMUJFWSA-N 1 0 395.471 1.096 20 0 GDADRO COCC[NH+]1CCC(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000737006861 598479898 /nfs/dbraw/zinc/47/98/98/598479898.db2.gz KGFWDTQPYBXBFA-UHFFFAOYSA-N 1 0 399.499 1.652 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000737486798 598505868 /nfs/dbraw/zinc/50/58/68/598505868.db2.gz FDLLJGPLLRFLHC-CQSZACIVSA-N 1 0 397.487 1.011 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000738328402 598507652 /nfs/dbraw/zinc/50/76/52/598507652.db2.gz AHPIFKKHBOGIOB-INIZCTEOSA-N 1 0 376.486 1.257 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736854582 598516682 /nfs/dbraw/zinc/51/66/82/598516682.db2.gz DPGVDVQXNYKZKF-INIZCTEOSA-N 1 0 398.515 1.430 20 0 GDADRO Fc1ccccc1CSCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737669193 598518991 /nfs/dbraw/zinc/51/89/91/598518991.db2.gz LWKOICONDVITJJ-GFCCVEGCSA-N 1 0 388.476 1.767 20 0 GDADRO CC(C)Oc1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735914778 598519452 /nfs/dbraw/zinc/51/94/52/598519452.db2.gz JIJZPKJLBMHQRG-HNNXBMFYSA-N 1 0 382.472 1.724 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCCN1CCc3ccccc3C1)C2 ZINC000738440470 598520731 /nfs/dbraw/zinc/52/07/31/598520731.db2.gz FLDZPGBUDBZPLL-OAHLLOKOSA-N 1 0 393.499 1.143 20 0 GDADRO CC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2c(c1)OCCO2 ZINC000736371213 598524403 /nfs/dbraw/zinc/52/44/03/598524403.db2.gz POZAAFYWFZMWDR-IUODEOHRSA-N 1 0 396.455 1.617 20 0 GDADRO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737879170 598525162 /nfs/dbraw/zinc/52/51/62/598525162.db2.gz SYRWJKJVCJLUGL-GOSISDBHSA-N 1 0 383.500 1.433 20 0 GDADRO c1csc([C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2)n1 ZINC000738425005 598528748 /nfs/dbraw/zinc/52/87/48/598528748.db2.gz JJHGUUHBRHDUIV-IUODEOHRSA-N 1 0 393.480 1.941 20 0 GDADRO CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736696578 598531030 /nfs/dbraw/zinc/53/10/30/598531030.db2.gz ZVSWZRVHAGALBQ-LRDDRELGSA-N 1 0 380.456 1.781 20 0 GDADRO CCn1c2ccccc2nc1[C@H](C)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736721021 598531821 /nfs/dbraw/zinc/53/18/21/598531821.db2.gz ZSVBBOOKBFAQRL-STQMWFEESA-N 1 0 392.471 1.825 20 0 GDADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736457627 598595244 /nfs/dbraw/zinc/59/52/44/598595244.db2.gz QLHSAFUERRKDKE-UHFFFAOYSA-N 1 0 382.465 1.549 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736859359 598613312 /nfs/dbraw/zinc/61/33/12/598613312.db2.gz GCMSKCNQEFSJPF-CEXWTWQISA-N 1 0 395.511 1.921 20 0 GDADRO Fc1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)c(-c2nn[nH]n2)c1 ZINC000737656112 598632305 /nfs/dbraw/zinc/63/23/05/598632305.db2.gz ISZCNVPAGLTFHN-UHFFFAOYSA-N 1 0 383.435 1.420 20 0 GDADRO Cc1nc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC000737471220 598685352 /nfs/dbraw/zinc/68/53/52/598685352.db2.gz FOIYZDONKFTIBR-AWEZNQCLSA-N 1 0 396.455 1.841 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736573578 598694463 /nfs/dbraw/zinc/69/44/63/598694463.db2.gz ZWNHTHPEZKAMHU-QZTJIDSGSA-N 1 0 383.500 1.826 20 0 GDADRO CN(C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000736732800 598697440 /nfs/dbraw/zinc/69/74/40/598697440.db2.gz QAWOKWQFWGSBJO-GFCCVEGCSA-N 1 0 389.847 1.154 20 0 GDADRO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NCCCCC[NH+]1CCCCC1 ZINC000737889094 598722260 /nfs/dbraw/zinc/72/22/60/598722260.db2.gz JKIFLJCDQXTDEA-UHFFFAOYSA-N 1 0 399.499 1.369 20 0 GDADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000738145380 598731170 /nfs/dbraw/zinc/73/11/70/598731170.db2.gz IXFQYHSSUYGXFD-NSHDSACASA-N 1 0 379.371 1.780 20 0 GDADRO CCC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)CC(=O)N(C)C ZINC000736469280 598759750 /nfs/dbraw/zinc/75/97/50/598759750.db2.gz CMTQFJFWITZPAQ-UHFFFAOYSA-N 1 0 393.879 1.649 20 0 GDADRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)CC2 ZINC000736133281 598787386 /nfs/dbraw/zinc/78/73/86/598787386.db2.gz REYJMUPHVVCDOX-QWHCGFSZSA-N 1 0 395.471 1.513 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000737876875 598796997 /nfs/dbraw/zinc/79/69/97/598796997.db2.gz KGSOGAYSRRVZFY-UHFFFAOYSA-N 1 0 375.864 1.265 20 0 GDADRO C[NH+](C)CCCCC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736757942 598814577 /nfs/dbraw/zinc/81/45/77/598814577.db2.gz AKZYAZZDQNCXRS-UHFFFAOYSA-N 1 0 375.452 1.386 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCCn1ccnc1 ZINC000736767890 598819266 /nfs/dbraw/zinc/81/92/66/598819266.db2.gz TUHJRNQTIZVNRZ-UHFFFAOYSA-N 1 0 382.472 1.434 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736406834 599293188 /nfs/dbraw/zinc/29/31/88/599293188.db2.gz LQYSKHMQGYTYQT-NEPJUHHUSA-N 1 0 380.449 1.253 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000736133320 599300146 /nfs/dbraw/zinc/30/01/46/599300146.db2.gz RRIPLFWPLPWJNI-ZQIUZPCESA-N 1 0 392.529 1.966 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736406134 599300681 /nfs/dbraw/zinc/30/06/81/599300681.db2.gz JKBYOUTZSVBYQF-RDJZCZTQSA-N 1 0 392.529 1.795 20 0 GDADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736412127 599300767 /nfs/dbraw/zinc/30/07/67/599300767.db2.gz SXCDKJYBWOEIFH-DQYPLSBCSA-N 1 0 397.483 1.020 20 0 GDADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736408864 599301121 /nfs/dbraw/zinc/30/11/21/599301121.db2.gz KLJDICBNDKLZQJ-KBRIMQKVSA-N 1 0 399.499 1.266 20 0 GDADRO Cc1cc(C)cc([C@H](O)C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000822196489 599306303 /nfs/dbraw/zinc/30/63/03/599306303.db2.gz LEOPXGVTFIIAKN-GOSISDBHSA-N 1 0 379.468 1.734 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736237369 599320604 /nfs/dbraw/zinc/32/06/04/599320604.db2.gz QBZXZJMWDFFLPM-HOTGVXAUSA-N 1 0 383.500 1.778 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000821255066 599347055 /nfs/dbraw/zinc/34/70/55/599347055.db2.gz SWNAMUCPRGEETR-XHDPSFHLSA-N 1 0 398.920 1.871 20 0 GDADRO COc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cc1-c1nn[nH]n1 ZINC000821809713 599394133 /nfs/dbraw/zinc/39/41/33/599394133.db2.gz QVIRQZKJLXGQSH-GOSISDBHSA-N 1 0 394.479 1.866 20 0 GDADRO COc1ccc(C[NH2+]Cc2ccccc2CN2CCOCC2)cc1-c1nn[nH]n1 ZINC000821817886 599397297 /nfs/dbraw/zinc/39/72/97/599397297.db2.gz AKDURXRLBCFGLU-UHFFFAOYSA-N 1 0 394.479 1.997 20 0 GDADRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1-c1nn[nH]n1 ZINC000821818084 599401643 /nfs/dbraw/zinc/40/16/43/599401643.db2.gz KLAVVJYUUSBYOD-UHFFFAOYSA-N 1 0 381.440 1.397 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000823210802 599413335 /nfs/dbraw/zinc/41/33/35/599413335.db2.gz FXLWFOQQXLNABI-UHFFFAOYSA-N 1 0 385.472 1.419 20 0 GDADRO COCCn1cc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000821694910 599419747 /nfs/dbraw/zinc/41/97/47/599419747.db2.gz AOOFXYMKDCQQNR-UHFFFAOYSA-N 1 0 382.472 1.468 20 0 GDADRO CSC[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737175686 599455471 /nfs/dbraw/zinc/45/54/71/599455471.db2.gz GGJFSDSUQNVWGD-CQSZACIVSA-N 1 0 389.529 1.836 20 0 GDADRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820349333 599483001 /nfs/dbraw/zinc/48/30/01/599483001.db2.gz HMDKTUNXYWXIAR-AWEZNQCLSA-N 1 0 378.440 1.855 20 0 GDADRO CCC(CC)[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)N1CCOCC1 ZINC000736337995 599483885 /nfs/dbraw/zinc/48/38/85/599483885.db2.gz NOIHCMYJRSOBOO-GOSISDBHSA-N 1 0 398.515 1.741 20 0 GDADRO FC(F)(F)CN1CC[C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000737628014 599484903 /nfs/dbraw/zinc/48/49/03/599484903.db2.gz TXXHIOSTYLFORY-LLVKDONJSA-N 1 0 380.378 1.488 20 0 GDADRO Cc1nccn1-c1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cn1 ZINC000737501092 599486924 /nfs/dbraw/zinc/48/69/24/599486924.db2.gz IFWCFXCXLXQWTC-UHFFFAOYSA-N 1 0 386.423 1.693 20 0 GDADRO O=C(NCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1F ZINC000738076658 599487521 /nfs/dbraw/zinc/48/75/21/599487521.db2.gz ZEUIZVXRLJLKLQ-UHFFFAOYSA-N 1 0 380.387 1.173 20 0 GDADRO OC[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc(F)cc1 ZINC000738388811 599487576 /nfs/dbraw/zinc/48/75/76/599487576.db2.gz GQJOOZDDPSNTNN-AWEZNQCLSA-N 1 0 381.415 1.594 20 0 GDADRO COc1cccc2c1OC[C@H]([NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)C2 ZINC000737142674 599488809 /nfs/dbraw/zinc/48/88/09/599488809.db2.gz LXHPIOHDFFAELK-CQSZACIVSA-N 1 0 377.408 1.616 20 0 GDADRO Cn1c(CCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)nc2ccccc21 ZINC000737591626 599493554 /nfs/dbraw/zinc/49/35/54/599493554.db2.gz MNOYGDRJHKYFFO-ZDUSSCGKSA-N 1 0 392.471 1.214 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000736987471 599505970 /nfs/dbraw/zinc/50/59/70/599505970.db2.gz HUMPCICCKXFSIK-ZDUSSCGKSA-N 1 0 389.504 1.992 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000821587007 599520705 /nfs/dbraw/zinc/52/07/05/599520705.db2.gz BELSEXFFVRIZFA-UHFFFAOYSA-N 1 0 383.431 1.909 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000822337204 599524351 /nfs/dbraw/zinc/52/43/51/599524351.db2.gz VIDGIAAXTIXTRJ-IRXDYDNUSA-N 1 0 379.468 1.759 20 0 GDADRO Cc1cc(C)cc([C@H](O)C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1 ZINC000822196653 599565447 /nfs/dbraw/zinc/56/54/47/599565447.db2.gz RHLAQAXNXZSATF-GOSISDBHSA-N 1 0 379.468 1.734 20 0 GDADRO O=C(CC[N@H+]1CCCN(CC(F)(F)F)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737844361 599586865 /nfs/dbraw/zinc/58/68/65/599586865.db2.gz SRZJRZHBXDVDHN-UHFFFAOYSA-N 1 0 397.405 1.765 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000821688514 599591784 /nfs/dbraw/zinc/59/17/84/599591784.db2.gz NVDXIOPRBJYAFC-UHFFFAOYSA-N 1 0 389.504 1.992 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821579632 599596278 /nfs/dbraw/zinc/59/62/78/599596278.db2.gz IVULUIPQABHCCM-UHFFFAOYSA-N 1 0 399.377 1.280 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000822319439 599598615 /nfs/dbraw/zinc/59/86/15/599598615.db2.gz RTPSBPYCYAENPY-OCCSQVGLSA-N 1 0 385.472 1.350 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000822319837 599601803 /nfs/dbraw/zinc/60/18/03/599601803.db2.gz ZMNZHIJFIGMZNO-ZUOKHONESA-N 1 0 399.499 1.740 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820313695 599618882 /nfs/dbraw/zinc/61/88/82/599618882.db2.gz FQIRGADAMJOART-CYBMUJFWSA-N 1 0 393.451 1.744 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823009538 599656211 /nfs/dbraw/zinc/65/62/11/599656211.db2.gz MGVVWBZQOUELHZ-UHFFFAOYSA-N 1 0 399.499 1.382 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820132993 599673629 /nfs/dbraw/zinc/67/36/29/599673629.db2.gz PIQVDPAQZBPXQI-HNNXBMFYSA-N 1 0 387.488 1.665 20 0 GDADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCOC1 ZINC000820341729 599676790 /nfs/dbraw/zinc/67/67/90/599676790.db2.gz RCXZJBWTAREXSF-YOEHRIQHSA-N 1 0 387.488 1.365 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821088625 599677454 /nfs/dbraw/zinc/67/74/54/599677454.db2.gz QBWMFQVFQLQNKC-HNNXBMFYSA-N 1 0 387.488 1.619 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820995522 599677599 /nfs/dbraw/zinc/67/75/99/599677599.db2.gz SZVGQNJWFBDUJZ-HOTGVXAUSA-N 1 0 385.472 1.514 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820350727 599682009 /nfs/dbraw/zinc/68/20/09/599682009.db2.gz LIFGNXJQSAAQPJ-HNNXBMFYSA-N 1 0 399.499 1.682 20 0 GDADRO C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820350728 599682050 /nfs/dbraw/zinc/68/20/50/599682050.db2.gz LIFGNXJQSAAQPJ-OAHLLOKOSA-N 1 0 399.499 1.682 20 0 GDADRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000821627317 599692710 /nfs/dbraw/zinc/69/27/10/599692710.db2.gz WVNKJSAQSFTBFX-UHFFFAOYSA-N 1 0 391.479 1.544 20 0 GDADRO CC[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](CC)CC ZINC000820842620 599695751 /nfs/dbraw/zinc/69/57/51/599695751.db2.gz OLNGGKTUKLBYFW-GOSISDBHSA-N 1 0 385.516 1.631 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000820127628 599698912 /nfs/dbraw/zinc/69/89/12/599698912.db2.gz KKXSBWRAKRPXNP-UHFFFAOYSA-N 1 0 383.500 1.636 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820684707 599699936 /nfs/dbraw/zinc/69/99/36/599699936.db2.gz RWZQLKAFWWBFQP-KBPBESRZSA-N 1 0 384.488 1.220 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c(C)s1 ZINC000822211740 607390888 /nfs/dbraw/zinc/39/08/88/607390888.db2.gz MNZPWXNVUIIIGH-UHFFFAOYSA-N 1 0 398.539 1.675 20 0 GDADRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)nn1C ZINC000826269870 607396576 /nfs/dbraw/zinc/39/65/76/607396576.db2.gz AAZBNBSVOLUWMB-UHFFFAOYSA-N 1 0 383.460 1.504 20 0 GDADRO C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000736676426 599962646 /nfs/dbraw/zinc/96/26/46/599962646.db2.gz HRKPQWNEJTXDQQ-JKSUJKDBSA-N 1 0 391.512 1.414 20 0 GDADRO COc1ccc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)cc1-c1nn[nH]n1 ZINC000821794185 607442995 /nfs/dbraw/zinc/44/29/95/607442995.db2.gz BDRLXJRCZHKIGL-UHFFFAOYSA-N 1 0 384.444 1.275 20 0 GDADRO CC(=O)N1CCCN([C@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)cs3)C[C@@H]2C)CC1 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O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000823065943 606150645 /nfs/dbraw/zinc/15/06/45/606150645.db2.gz FUAYANKLOJMQMT-UHFFFAOYSA-N 1 0 388.497 1.282 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000822609632 606167766 /nfs/dbraw/zinc/16/77/66/606167766.db2.gz SNYMNYXCWBQAAN-AWEZNQCLSA-N 1 0 387.492 1.720 20 0 GDADRO C[C@H](CCN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000820242966 606172502 /nfs/dbraw/zinc/17/25/02/606172502.db2.gz RUZBBSJGULZVGD-BEFAXECRSA-N 1 0 393.495 1.893 20 0 GDADRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823541315 606210575 /nfs/dbraw/zinc/21/05/75/606210575.db2.gz OYCKYXYQUQFJOL-UHFFFAOYSA-N 1 0 389.485 1.663 20 0 GDADRO O[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)COc1ccc2c(c1)OCO2 ZINC000823683109 606214700 /nfs/dbraw/zinc/21/47/00/606214700.db2.gz YTSFOILSYIZPLN-LLVKDONJSA-N 1 0 375.410 1.186 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000822332837 606227555 /nfs/dbraw/zinc/22/75/55/606227555.db2.gz UMKAAXOIWJMXJU-RHSMWYFYSA-N 1 0 379.468 1.880 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000821585945 606252988 /nfs/dbraw/zinc/25/29/88/606252988.db2.gz CAIJHWVUPHLIIY-UHFFFAOYSA-N 1 0 389.410 1.687 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)CCSC1 ZINC000821581661 606300650 /nfs/dbraw/zinc/30/06/50/606300650.db2.gz RPUMZOOTIMIJQR-QGZVFWFLSA-N 1 0 392.554 1.653 20 0 GDADRO CCn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821568357 606309883 /nfs/dbraw/zinc/30/98/83/606309883.db2.gz QYDIYTDOUKIPFM-KGLIPLIRSA-N 1 0 398.496 1.917 20 0 GDADRO Cc1ccccc1OCC[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822366581 606309913 /nfs/dbraw/zinc/30/99/13/606309913.db2.gz NXFYLQLDPGCHOK-UHFFFAOYSA-N 1 0 387.465 1.617 20 0 GDADRO O=S(=O)(CC[NH2+]CCc1c(F)cccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561931 606310499 /nfs/dbraw/zinc/31/04/99/606310499.db2.gz LUOSRQYGCHZRMB-UHFFFAOYSA-N 1 0 393.419 1.751 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000823187231 606346718 /nfs/dbraw/zinc/34/67/18/606346718.db2.gz HGBZVQDFFMHTLM-CYBMUJFWSA-N 1 0 377.424 1.364 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000821252675 606383632 /nfs/dbraw/zinc/38/36/32/606383632.db2.gz AWHNZWPVRPKHIP-GOEBONIOSA-N 1 0 387.488 1.760 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821584788 606384430 /nfs/dbraw/zinc/38/44/30/606384430.db2.gz SGQVCVJBVABAIW-UHFFFAOYSA-N 1 0 387.488 1.509 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000821001156 606391915 /nfs/dbraw/zinc/39/19/15/606391915.db2.gz PFOQQOONYRGCBR-CABCVRRESA-N 1 0 399.503 1.332 20 0 GDADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000820093060 606394777 /nfs/dbraw/zinc/39/47/77/606394777.db2.gz SJBGMVDJXLBAIZ-UHFFFAOYSA-N 1 0 389.435 1.181 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 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379.424 1.744 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000823166755 607195802 /nfs/dbraw/zinc/19/58/02/607195802.db2.gz OMMVBWPOZXDRPD-LBPRGKRZSA-N 1 0 379.852 1.488 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821623421 607230671 /nfs/dbraw/zinc/23/06/71/607230671.db2.gz LFGGARPWSAFHMX-JSGCOSHPSA-N 1 0 380.449 1.111 20 0 GDADRO CC[N@H+](CC1(O)CCS(=O)(=O)CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821197846 607236346 /nfs/dbraw/zinc/23/63/46/607236346.db2.gz MMBGSJALRPKTSV-CYBMUJFWSA-N 1 0 379.486 1.189 20 0 GDADRO Cc1nccn1CCC[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822478915 607236711 /nfs/dbraw/zinc/23/67/11/607236711.db2.gz VWGVFGLBXAQUGI-UHFFFAOYSA-N 1 0 380.500 1.970 20 0 GDADRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ncn1 ZINC000826257741 607792520 /nfs/dbraw/zinc/79/25/20/607792520.db2.gz NTHRXWNGPAQHSG-UHFFFAOYSA-N 1 0 378.440 1.313 20 0 GDADRO 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ZINC000825399592 607921463 /nfs/dbraw/zinc/92/14/63/607921463.db2.gz YQOOSLNLKUEFEI-OAHLLOKOSA-N 1 0 386.456 1.486 20 0 GDADRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C1 ZINC000826051189 607935736 /nfs/dbraw/zinc/93/57/36/607935736.db2.gz JASYITDNEUAFFV-MRXNPFEDSA-N 1 0 385.453 1.113 20 0 GDADRO C[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccccc1 ZINC000826029593 607973402 /nfs/dbraw/zinc/97/34/02/607973402.db2.gz UMXSDDAXURBTCX-ZWKOTPCHSA-N 1 0 398.492 1.732 20 0 GDADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826023013 608002517 /nfs/dbraw/zinc/00/25/17/608002517.db2.gz VNQAKNVSWJIGLV-UHFFFAOYSA-N 1 0 382.465 1.109 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n(C(C)(C)C)n2)c1-c1nn[nH]n1 ZINC000826077730 608019746 /nfs/dbraw/zinc/01/97/46/608019746.db2.gz SFBANQZAXMMRAY-UHFFFAOYSA-N 1 0 386.464 1.254 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC)cc2Cl)c1-c1nn[nH]n1 ZINC000826082998 608020637 /nfs/dbraw/zinc/02/06/37/608020637.db2.gz 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O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826431237 608063830 /nfs/dbraw/zinc/06/38/30/608063830.db2.gz VZZNJTJIFZQMMA-ZWKOTPCHSA-N 1 0 397.483 1.434 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC000824893976 608064272 /nfs/dbraw/zinc/06/42/72/608064272.db2.gz WGAJSBVFSPTKCM-XYPHTWIQSA-N 1 0 385.472 1.432 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)C[N@@H+]1C1CC1 ZINC000824892784 608065059 /nfs/dbraw/zinc/06/50/59/608065059.db2.gz MSRBUSMIZFFBCM-MZMPZRCHSA-N 1 0 397.483 1.575 20 0 GDADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC000825444423 608065564 /nfs/dbraw/zinc/06/55/64/608065564.db2.gz MVKYRGDTXVEUGG-XKQJLSEDSA-N 1 0 385.472 1.290 20 0 GDADRO Cc1c(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)cccc1-c1nn[nH]n1 ZINC000826241979 608106629 /nfs/dbraw/zinc/10/66/29/608106629.db2.gz VUFQETMJYBVFGU-UHFFFAOYSA-N 1 0 396.455 1.832 20 0 GDADRO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826220057 608111088 /nfs/dbraw/zinc/11/10/88/608111088.db2.gz ASNVZYCNYMRLHD-ACJLOTCBSA-N 1 0 396.451 1.706 20 0 GDADRO C[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824967425 608121183 /nfs/dbraw/zinc/12/11/83/608121183.db2.gz JUXLOOBPEKRALN-WHJOBHEISA-N 1 0 395.511 1.364 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)[NH+]1CCCCC1 ZINC000824400349 608126310 /nfs/dbraw/zinc/12/63/10/608126310.db2.gz FSCADOGTQJJLIC-LBPRGKRZSA-N 1 0 382.465 1.549 20 0 GDADRO CCc1nn(C)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825759966 608156964 /nfs/dbraw/zinc/15/69/64/608156964.db2.gz QXJZCGDPDFZCMT-UHFFFAOYSA-N 1 0 382.472 1.367 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000826175384 608169569 /nfs/dbraw/zinc/16/95/69/608169569.db2.gz CKXVCELYVZBRAD-CABCVRRESA-N 1 0 386.456 1.245 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826478435 608169661 /nfs/dbraw/zinc/16/96/61/608169661.db2.gz BMEVCZWTEQESQT-GOEBONIOSA-N 1 0 383.456 1.186 20 0 GDADRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2snc(Cl)c2-c2nn[nH]n2)C1 ZINC000826022780 608190346 /nfs/dbraw/zinc/19/03/46/608190346.db2.gz RIYSSCXJGICSGF-LURJTMIESA-N 1 0 384.882 1.066 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)CNc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000825870130 608220466 /nfs/dbraw/zinc/22/04/66/608220466.db2.gz AWTXXHOPQXESHS-UHFFFAOYSA-N 1 0 382.428 1.253 20 0 GDADRO Cc1ccc([C@H](CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)[NH+](C)C)cc1 ZINC000826284141 608221792 /nfs/dbraw/zinc/22/17/92/608221792.db2.gz LMGYUAXHHLLEMD-INIZCTEOSA-N 1 0 380.456 1.401 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@]1(CO)CCc2ccccc21 ZINC000826176594 608253648 /nfs/dbraw/zinc/25/36/48/608253648.db2.gz VUEDOEZBYOEBSN-FQEVSTJZSA-N 1 0 381.436 1.678 20 0 GDADRO O[C@H](C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502359 608256597 /nfs/dbraw/zinc/25/65/97/608256597.db2.gz BMMYFXAJVBGOBR-JKSUJKDBSA-N 1 0 380.456 1.775 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC000826157830 608311522 /nfs/dbraw/zinc/31/15/22/608311522.db2.gz NPUYETZORFEPNZ-UHFFFAOYSA-N 1 0 375.477 1.405 20 0 GDADRO Cc1nn(-c2ccccc2)c(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826332156 608312734 /nfs/dbraw/zinc/31/27/34/608312734.db2.gz LKMXXTZKIWHBRQ-GJZGRUSLSA-N 1 0 396.499 1.248 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CCO1 ZINC000825860357 608337229 /nfs/dbraw/zinc/33/72/29/608337229.db2.gz QIINCZWQHQMJEZ-LLVKDONJSA-N 1 0 397.386 1.262 20 0 GDADRO CC[C@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000825205494 608337583 /nfs/dbraw/zinc/33/75/83/608337583.db2.gz WKDRSNMZIAJJOP-OCCSQVGLSA-N 1 0 389.460 1.184 20 0 GDADRO CC[C@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000825203693 608338396 /nfs/dbraw/zinc/33/83/96/608338396.db2.gz OJRFLMMWHIPCHZ-AAEUAGOBSA-N 1 0 393.879 1.829 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000826028796 608339123 /nfs/dbraw/zinc/33/91/23/608339123.db2.gz IEKITNHJTISXDV-CZUORRHYSA-N 1 0 394.476 1.252 20 0 GDADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825859222 608342459 /nfs/dbraw/zinc/34/24/59/608342459.db2.gz DVCRATHFWZTVHL-UHFFFAOYSA-N 1 0 378.502 1.609 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000826168569 608353191 /nfs/dbraw/zinc/35/31/91/608353191.db2.gz RDLYLLZLKLLDBK-UHFFFAOYSA-N 1 0 398.389 1.766 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000826169153 608357014 /nfs/dbraw/zinc/35/70/14/608357014.db2.gz JWLRZOWZZZOPKJ-RLFYNMQTSA-N 1 0 386.500 1.949 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000826169551 608359615 /nfs/dbraw/zinc/35/96/15/608359615.db2.gz WUBRPXNGMXLYMN-HNNXBMFYSA-N 1 0 382.472 1.996 20 0 GDADRO COc1ccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1-c1nn[nH]n1 ZINC000826201666 608363228 /nfs/dbraw/zinc/36/32/28/608363228.db2.gz APKFMAJJBWYULK-NSHDSACASA-N 1 0 388.453 1.374 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000826390341 608435983 /nfs/dbraw/zinc/43/59/83/608435983.db2.gz XFFLTXLODXLLBN-QGZVFWFLSA-N 1 0 392.467 1.333 20 0 GDADRO O[C@@H](COC[C@@H]1CCCO1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826504408 608464770 /nfs/dbraw/zinc/46/47/70/608464770.db2.gz VLGVGRIVOLSKBM-MOPGFXCFSA-N 1 0 385.468 1.512 20 0 GDADRO CNC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826051847 608491379 /nfs/dbraw/zinc/49/13/79/608491379.db2.gz OGCAYUPHCQFVLV-SCLBCKFNSA-N 1 0 393.451 1.121 20 0 GDADRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCC1 ZINC000824337944 608527403 /nfs/dbraw/zinc/52/74/03/608527403.db2.gz KUBXIOCQEKIPAE-KRWDZBQOSA-N 1 0 385.472 1.432 20 0 GDADRO COCc1ccc(CNC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826164937 608529371 /nfs/dbraw/zinc/52/93/71/608529371.db2.gz XVMKIPZVVXNBBH-UHFFFAOYSA-N 1 0 392.463 1.908 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NC(=O)NCc1ccco1 ZINC000826412642 608531739 /nfs/dbraw/zinc/53/17/39/608531739.db2.gz WSGRZUOQZOAZJJ-UHFFFAOYSA-N 1 0 381.396 1.064 20 0 GDADRO Cc1ocnc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826342768 608536914 /nfs/dbraw/zinc/53/69/14/608536914.db2.gz YVILGEDITZWKTL-UHFFFAOYSA-N 1 0 384.444 1.437 20 0 GDADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000826028474 608563927 /nfs/dbraw/zinc/56/39/27/608563927.db2.gz AYARPXBACVNUOK-UHFFFAOYSA-N 1 0 380.449 1.255 20 0 GDADRO COc1c(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)c(C)nn1C ZINC000826167330 608569911 /nfs/dbraw/zinc/56/99/11/608569911.db2.gz YPBABSNAHQRNAT-UHFFFAOYSA-N 1 0 398.471 1.792 20 0 GDADRO CC[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1cccc(S(N)(=O)=O)c1 ZINC000825139011 608578439 /nfs/dbraw/zinc/57/84/39/608578439.db2.gz AAYUGXPXHDCRKC-INIZCTEOSA-N 1 0 390.444 1.894 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824967414 608594158 /nfs/dbraw/zinc/59/41/58/608594158.db2.gz JNXOBTJNNJCZAG-UONOGXRCSA-N 1 0 385.472 1.527 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000826175503 608595616 /nfs/dbraw/zinc/59/56/16/608595616.db2.gz HPWITJWBSCMNBL-UONOGXRCSA-N 1 0 388.472 1.585 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826034709 608605724 /nfs/dbraw/zinc/60/57/24/608605724.db2.gz WGUYPGOPBRIGRJ-GPANFISMSA-N 1 0 385.472 1.552 20 0 GDADRO CCN(CC)C(=O)C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825399130 608639929 /nfs/dbraw/zinc/63/99/29/608639929.db2.gz JWVYSMLCYBPKIV-UHFFFAOYSA-N 1 0 382.472 1.595 20 0 GDADRO C[NH+](C)C1(C(=O)NC2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)CCC1 ZINC000825849735 608641436 /nfs/dbraw/zinc/64/14/36/608641436.db2.gz MCBSKNPQNNOZDZ-UHFFFAOYSA-N 1 0 385.472 1.552 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824908933 608642050 /nfs/dbraw/zinc/64/20/50/608642050.db2.gz RSNSFWCHQWMUAI-JCAIJIATSA-N 1 0 399.499 1.941 20 0 GDADRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547921 609142203 /nfs/dbraw/zinc/14/22/03/609142203.db2.gz UJEGYFLNRWTSDE-LBPRGKRZSA-N 1 0 375.452 1.209 20 0 GDADRO Cc1cc(C(=O)NCC[NH+]2CCCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258974 609148225 /nfs/dbraw/zinc/14/82/25/609148225.db2.gz CSCBBEAJYHAYNV-UHFFFAOYSA-N 1 0 380.456 1.577 20 0 GDADRO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259502 609148244 /nfs/dbraw/zinc/14/82/44/609148244.db2.gz UXQPZXUBYXXFFK-AWEZNQCLSA-N 1 0 394.483 1.823 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258927 609153769 /nfs/dbraw/zinc/15/37/69/609153769.db2.gz BKXNPVAMPSDSOA-AWEZNQCLSA-N 1 0 380.456 1.432 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825307740 609159855 /nfs/dbraw/zinc/15/98/55/609159855.db2.gz OIEXSJKDDBGTKO-UHFFFAOYSA-N 1 0 382.472 1.823 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259039 609161885 /nfs/dbraw/zinc/16/18/85/609161885.db2.gz FQAXBUJOHAEUEA-KZULUSFZSA-N 1 0 392.467 1.573 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824271497 609187607 /nfs/dbraw/zinc/18/76/07/609187607.db2.gz ODPFGVGLNAGPAM-UHFFFAOYSA-N 1 0 384.531 1.468 20 0 GDADRO C[N@H+](CCCNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000825919108 609187781 /nfs/dbraw/zinc/18/77/81/609187781.db2.gz UBLRNCUFSJIUAZ-GOSISDBHSA-N 1 0 380.452 1.538 20 0 GDADRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826443472 609188344 /nfs/dbraw/zinc/18/83/44/609188344.db2.gz QNROTDGSKLUHIZ-IBGZPJMESA-N 1 0 392.463 1.812 20 0 GDADRO C[NH+](C)CCCOc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825865761 609226638 /nfs/dbraw/zinc/22/66/38/609226638.db2.gz 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20 0 GDADRO COc1cccc([C@@H]2[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[N@@H+]2C2CC2)c1 ZINC000826215693 609337297 /nfs/dbraw/zinc/33/72/97/609337297.db2.gz WJWYLEKJUIHETR-FUHWJXTLSA-N 1 0 393.451 1.911 20 0 GDADRO CN(C)[C@]1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCSC1 ZINC000825851683 609341405 /nfs/dbraw/zinc/34/14/05/609341405.db2.gz XFWUEWIYJUKSJY-IBGZPJMESA-N 1 0 398.540 1.794 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C1 ZINC000825453262 609359230 /nfs/dbraw/zinc/35/92/30/609359230.db2.gz UVCGAZVAQGLJFJ-LBPRGKRZSA-N 1 0 399.434 1.655 20 0 GDADRO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C[C@H]1CCCC[C@H]1O ZINC000825892835 609375259 /nfs/dbraw/zinc/37/52/59/609375259.db2.gz VNPRBAQMFCMSNL-IAQYHMDHSA-N 1 0 378.864 1.942 20 0 GDADRO CC(=O)c1ccc(-c2nn[nH]n2)cc1N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000824019652 609421649 /nfs/dbraw/zinc/42/16/49/609421649.db2.gz JQCKWWCGYNCCEK-KRWDZBQOSA-N 1 0 383.500 1.676 20 0 GDADRO OC[C@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1cccc(Br)c1 ZINC000826508379 609427663 /nfs/dbraw/zinc/42/76/63/609427663.db2.gz NXFOJEJRTRPJLB-AWEZNQCLSA-N 1 0 375.230 1.847 20 0 GDADRO C[NH+](C)C1CN(C(=O)Nc2ncc(Cc3ccc(-c4nn[nH]n4)cc3)s2)C1 ZINC000825855924 609491938 /nfs/dbraw/zinc/49/19/38/609491938.db2.gz LZYJAXSGWZQXSQ-UHFFFAOYSA-N 1 0 384.469 1.692 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826488737 609539453 /nfs/dbraw/zinc/53/94/53/609539453.db2.gz XWXCDPMHBHGDPV-STQMWFEESA-N 1 0 382.877 1.425 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000825411698 609552261 /nfs/dbraw/zinc/55/22/61/609552261.db2.gz CLWAHWQIBSXLIO-LBPRGKRZSA-N 1 0 384.893 1.625 20 0 GDADRO CCCn1cc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000825361650 609599686 /nfs/dbraw/zinc/59/96/86/609599686.db2.gz GZNRJFRIXWIJRM-KRWDZBQOSA-N 1 0 380.456 1.758 20 0 GDADRO CC(C)[NH+](CCCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000531044178 649986229 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COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H](C)S(C)(=O)=O)CC1 ZINC000536577060 650272672 /nfs/dbraw/zinc/27/26/72/650272672.db2.gz YWMILXSULZGWLR-OAHLLOKOSA-N 1 0 377.551 1.200 20 0 GDADRO NC(=O)[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(Br)cc1 ZINC000536629783 650274458 /nfs/dbraw/zinc/27/44/58/650274458.db2.gz LSDZWKYFZQGVDL-CQSZACIVSA-N 1 0 389.315 1.780 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000536692152 650277959 /nfs/dbraw/zinc/27/79/59/650277959.db2.gz ANSUQWACSNZUJI-NWDGAFQWSA-N 1 0 393.506 1.348 20 0 GDADRO C[C@@H]([NH2+]Cc1cnc(-c2ccsc2)s1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000537301229 650288897 /nfs/dbraw/zinc/28/88/97/650288897.db2.gz DKBLQINOWHTFTH-NEPJUHHUSA-N 1 0 399.563 1.901 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000538113596 650305599 /nfs/dbraw/zinc/30/55/99/650305599.db2.gz WXLHPBWSXWAHPL-GFCCVEGCSA-N 1 0 383.495 1.556 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)nc1 ZINC000538830170 650323836 /nfs/dbraw/zinc/32/38/36/650323836.db2.gz MJLARJYQZHOFQR-AWEZNQCLSA-N 1 0 380.495 1.357 20 0 GDADRO CCCN(C(=O)NC1CC[NH+](CCCOC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000539476441 650335472 /nfs/dbraw/zinc/33/54/72/650335472.db2.gz VJPBGHYJLUDSLR-MRXNPFEDSA-N 1 0 375.535 1.096 20 0 GDADRO COc1cc(C[NH2+][C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)ccc1SC ZINC000539504838 650336132 /nfs/dbraw/zinc/33/61/32/650336132.db2.gz SCOBEMUJYNYCMU-GXTWGEPZSA-N 1 0 386.539 1.446 20 0 GDADRO C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O ZINC000540139276 650350452 /nfs/dbraw/zinc/35/04/52/650350452.db2.gz MZFNVTHEBWTSGJ-CABCVRRESA-N 1 0 388.555 1.945 20 0 GDADRO CC(C)Sc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000540964819 650374738 /nfs/dbraw/zinc/37/47/38/650374738.db2.gz BNPBRRCCNOULCJ-QZTJIDSGSA-N 1 0 384.567 1.775 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000541589915 650387667 /nfs/dbraw/zinc/38/76/67/650387667.db2.gz QMBJSGKBSQDARP-HUUCEWRRSA-N 1 0 390.933 1.792 20 0 GDADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000541831546 650393453 /nfs/dbraw/zinc/39/34/53/650393453.db2.gz MJOMAFPTWPKGFT-UHFFFAOYSA-N 1 0 392.543 1.035 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000542467041 650405490 /nfs/dbraw/zinc/40/54/90/650405490.db2.gz RSAVSNMZISHBHR-GFCCVEGCSA-N 1 0 385.711 1.693 20 0 GDADRO CC(C)C[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1cccs1 ZINC000542555271 650407369 /nfs/dbraw/zinc/40/73/69/650407369.db2.gz CDMZNRUCWDOHPX-CQSZACIVSA-N 1 0 375.560 1.823 20 0 GDADRO CC(C)([NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)c1cccs1 ZINC000542573240 650407670 /nfs/dbraw/zinc/40/76/70/650407670.db2.gz GDHUJFHBNSEQDQ-UHFFFAOYSA-N 1 0 379.507 1.810 20 0 GDADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000542840453 650414062 /nfs/dbraw/zinc/41/40/62/650414062.db2.gz XKUMABOTZBGDDW-ZDUSSCGKSA-N 1 0 385.917 1.426 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000543141144 650418589 /nfs/dbraw/zinc/41/85/89/650418589.db2.gz KZLRRJNNAUDYFB-NEPJUHHUSA-N 1 0 382.404 1.198 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000543378180 650421503 /nfs/dbraw/zinc/42/15/03/650421503.db2.gz OHOFTBOBSOKVSV-INIZCTEOSA-N 1 0 375.535 1.096 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000543628296 650425048 /nfs/dbraw/zinc/42/50/48/650425048.db2.gz NTXQPIITEUYOEU-ZDUSSCGKSA-N 1 0 389.543 1.046 20 0 GDADRO Cc1ccc(I)c(C(=O)NCCOCC[NH+](C)C)c1 ZINC000544346687 650438047 /nfs/dbraw/zinc/43/80/47/650438047.db2.gz ACNLOQIVXVIOKX-UHFFFAOYSA-N 1 0 376.238 1.908 20 0 GDADRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000544847725 650446889 /nfs/dbraw/zinc/44/68/89/650446889.db2.gz WZVYXNQVRNPOMH-INIZCTEOSA-N 1 0 378.881 1.856 20 0 GDADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000545366037 650455483 /nfs/dbraw/zinc/45/54/83/650455483.db2.gz FOBCUZGKBUHCEJ-UHFFFAOYSA-N 1 0 381.292 1.773 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1ccc(I)c(O)c1 ZINC000546201109 650474346 /nfs/dbraw/zinc/47/43/46/650474346.db2.gz QXGDJNRUQGEABV-UHFFFAOYSA-N 1 0 392.237 1.695 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000546569739 650479243 /nfs/dbraw/zinc/47/92/43/650479243.db2.gz PLHVFBWYULYDTK-MRXNPFEDSA-N 1 0 380.242 1.499 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000549140259 650570962 /nfs/dbraw/zinc/57/09/62/650570962.db2.gz PLPDEEDVJFTGMZ-CQSZACIVSA-N 1 0 391.896 1.748 20 0 GDADRO COC1CC[NH+](C2(CNc3nc(C)c(S(N)(=O)=O)s3)CCCC2)CC1 ZINC000549260599 650573918 /nfs/dbraw/zinc/57/39/18/650573918.db2.gz DLCFLUUOQRGPIS-UHFFFAOYSA-N 1 0 388.559 1.934 20 0 GDADRO Cc1ccc(O[C@H](C)C(=O)NCC(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000549514671 650578212 /nfs/dbraw/zinc/57/82/12/650578212.db2.gz YDEFJQBMAMEBAG-GFCCVEGCSA-N 1 0 384.274 1.073 20 0 GDADRO CS(=O)(=O)CC1CCC([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000550700191 650596327 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Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000552339851 650623768 /nfs/dbraw/zinc/62/37/68/650623768.db2.gz GDSWGJKBAWMDQI-CQSZACIVSA-N 1 0 388.555 1.959 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000553096626 650638212 /nfs/dbraw/zinc/63/82/12/650638212.db2.gz WQFMKCDNARVISM-RRFJBIMHSA-N 1 0 377.576 1.133 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000555035069 650684755 /nfs/dbraw/zinc/68/47/55/650684755.db2.gz LGOCYTODBBTHII-UHFFFAOYSA-N 1 0 390.253 1.993 20 0 GDADRO C[C@@H](NC(=O)c1c(I)cnn1C)C(C)(C)C[NH+](C)C ZINC000556322057 650702414 /nfs/dbraw/zinc/70/24/14/650702414.db2.gz ULIORZQBIDHUSU-SECBINFHSA-N 1 0 378.258 1.731 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@@H](C)S1(=O)=O ZINC000557229950 650721675 /nfs/dbraw/zinc/72/16/75/650721675.db2.gz GUBYSEPBBVDXJD-FDYHWXHSSA-N 1 0 384.464 1.929 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1F ZINC000557347714 650723290 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C[NH+](C)CCOCCNC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000564020777 650745345 /nfs/dbraw/zinc/74/53/45/650745345.db2.gz QKFZRZSFMVROJP-UHFFFAOYSA-N 1 0 398.301 1.028 20 0 GDADRO O=C1NC(=O)C2(CCC([NH2+]CCCCn3cc(Br)cn3)CC2)N1 ZINC000564019283 650745436 /nfs/dbraw/zinc/74/54/36/650745436.db2.gz AEKDLFNBJFAHBQ-UHFFFAOYSA-N 1 0 384.278 1.536 20 0 GDADRO O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000564057297 650746735 /nfs/dbraw/zinc/74/67/35/650746735.db2.gz YPOIHHIFGINPKM-HNNXBMFYSA-N 1 0 375.416 1.765 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000564193121 650751597 /nfs/dbraw/zinc/75/15/97/650751597.db2.gz XTKGRXKUGMKOQZ-OADPDTJPSA-N 1 0 380.286 1.678 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000564280688 650754018 /nfs/dbraw/zinc/75/40/18/650754018.db2.gz WXKFUPLIQWLIAI-HNNXBMFYSA-N 1 0 399.333 1.807 20 0 GDADRO CN1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)[C@H](C[NH3+])C1 ZINC000564451395 650758295 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O=C(NCC[C@@H]1CC[NH2+]C1)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000564786953 650767730 /nfs/dbraw/zinc/76/77/30/650767730.db2.gz UZTYYUUMSAPGKV-UONOGXRCSA-N 1 0 386.543 1.200 20 0 GDADRO CC(C)[C@H]([NH3+])CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000564798161 650767979 /nfs/dbraw/zinc/76/79/79/650767979.db2.gz NYYQCDZXBSZHIR-JKSUJKDBSA-N 1 0 387.933 1.847 20 0 GDADRO C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000564991355 650775387 /nfs/dbraw/zinc/77/53/87/650775387.db2.gz JGMSNTDRLUOKFP-QWRGUYRKSA-N 1 0 379.404 1.193 20 0 GDADRO O=S(=O)(CCN1CC[NH2+]C[C@H]1C(F)F)c1cccc(Br)c1 ZINC000564987136 650775423 /nfs/dbraw/zinc/77/54/23/650775423.db2.gz PYZWURAMYSNLCM-LBPRGKRZSA-N 1 0 383.258 1.762 20 0 GDADRO CC1(CNC(=O)CS(=O)(=O)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000564993059 650775871 /nfs/dbraw/zinc/77/58/71/650775871.db2.gz MUAWTDAJWYDVPL-UHFFFAOYSA-N 1 0 389.315 1.729 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000564994851 650776122 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GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCCc3ccc(Cl)cc3Cl)CCN2C1=O ZINC000566511954 650853410 /nfs/dbraw/zinc/85/34/10/650853410.db2.gz FCQFMMIYMMKSFA-DZGCQCFKSA-N 1 0 385.295 1.879 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000566551677 650855056 /nfs/dbraw/zinc/85/50/56/650855056.db2.gz DRQOVAAKUZZYBT-QMMMGPOBSA-N 1 0 381.786 1.135 20 0 GDADRO CCCN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@@H]1CC[NH2+]C1 ZINC000566560522 650855657 /nfs/dbraw/zinc/85/56/57/650855657.db2.gz XQVGWRPYUBYFSG-SNVBAGLBSA-N 1 0 382.258 1.994 20 0 GDADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)COC(F)F)c1 ZINC000566871996 650871307 /nfs/dbraw/zinc/87/13/07/650871307.db2.gz QIFFZDIVNZYNCI-UHFFFAOYSA-N 1 0 379.429 1.484 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000567041473 650881033 /nfs/dbraw/zinc/88/10/33/650881033.db2.gz DTSRQYXZFWXXTA-GFCCVEGCSA-N 1 0 380.286 1.531 20 0 GDADRO O[C@H](CNC[C@H](O)C[NH+]1CCCCC1)COc1cccc(Br)c1 ZINC000567110440 650886129 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C[C@]1(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CCC[NH2+]C1 ZINC000567668125 650913961 /nfs/dbraw/zinc/91/39/61/650913961.db2.gz ZEEHJYTZFYGYMX-YOEHRIQHSA-N 1 0 385.555 1.797 20 0 GDADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000567680639 650914674 /nfs/dbraw/zinc/91/46/74/650914674.db2.gz AKKSJJPOLNCEHB-HNNXBMFYSA-N 1 0 380.432 1.962 20 0 GDADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000567680640 650914750 /nfs/dbraw/zinc/91/47/50/650914750.db2.gz AKKSJJPOLNCEHB-OAHLLOKOSA-N 1 0 380.432 1.962 20 0 GDADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000567708589 650916228 /nfs/dbraw/zinc/91/62/28/650916228.db2.gz SEXQPYSVVQFJRC-SJORKVTESA-N 1 0 389.949 1.494 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000567716486 650916488 /nfs/dbraw/zinc/91/64/88/650916488.db2.gz OACAZWTZWCFWDO-UHFFFAOYSA-N 1 0 382.302 1.798 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000053302539 644443669 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ZINC000422597506 646081836 /nfs/dbraw/zinc/08/18/36/646081836.db2.gz KUSINRGUIPSSEX-UHFFFAOYSA-N 1 0 385.306 1.996 20 0 GDADRO O=C(NCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)c1ccc(Br)cc1 ZINC000422734516 646098639 /nfs/dbraw/zinc/09/86/39/646098639.db2.gz TYMSPHZYOZKSRY-HOTGVXAUSA-N 1 0 382.302 1.536 20 0 GDADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000916841032 660202594 /nfs/dbraw/zinc/20/25/94/660202594.db2.gz ABBHOQXEXYJVPN-QWHCGFSZSA-N 1 0 384.278 1.244 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[C@@H](C)[NH3+] ZINC000422928504 646100611 /nfs/dbraw/zinc/10/06/11/646100611.db2.gz KUXIDXIXILIFGS-RISCZKNCSA-N 1 0 393.962 1.854 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000422949255 646102686 /nfs/dbraw/zinc/10/26/86/646102686.db2.gz UPDOMZJIZUWDHN-GXTWGEPZSA-N 1 0 387.274 1.850 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422965298 646103836 /nfs/dbraw/zinc/10/38/36/646103836.db2.gz OMCVQVJSXGNIRU-ZDUSSCGKSA-N 1 0 394.313 1.851 20 0 GDADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422963455 646103852 /nfs/dbraw/zinc/10/38/52/646103852.db2.gz ISNIIJMLDULERG-GFCCVEGCSA-N 1 0 384.263 1.898 20 0 GDADRO O=C(N[C@H]1CCc2c1cccc2Br)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422965904 646103894 /nfs/dbraw/zinc/10/38/94/646103894.db2.gz QBTZXPPUMOWFIM-HNNXBMFYSA-N 1 0 392.297 1.907 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422980159 646105108 /nfs/dbraw/zinc/10/51/08/646105108.db2.gz LCVOYLGJMAUWBY-ZDUSSCGKSA-N 1 0 394.313 1.851 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000422992842 646106278 /nfs/dbraw/zinc/10/62/78/646106278.db2.gz RRLGGJLFRXNVIH-TZMCWYRMSA-N 1 0 382.302 1.851 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000422998021 646106819 /nfs/dbraw/zinc/10/68/19/646106819.db2.gz PFSGHQFSKPLZLF-JSGCOSHPSA-N 1 0 382.302 1.993 20 0 GDADRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423054386 646110211 /nfs/dbraw/zinc/11/02/11/646110211.db2.gz BSQDFYVHNVQVTR-KGLIPLIRSA-N 1 0 386.484 1.358 20 0 GDADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423094786 646112179 /nfs/dbraw/zinc/11/21/79/646112179.db2.gz CPSHBUSTMBJIAR-IUODEOHRSA-N 1 0 382.302 1.992 20 0 GDADRO [NH3+]CCCCn1cc(C(=O)NCCOc2cccc(Br)c2)nn1 ZINC000423076214 646112220 /nfs/dbraw/zinc/11/22/20/646112220.db2.gz YPTKCEKDGJXQOZ-UHFFFAOYSA-N 1 0 382.262 1.588 20 0 GDADRO C[NH+](C)C1CC(NS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C1 ZINC000916932277 660203633 /nfs/dbraw/zinc/20/36/33/660203633.db2.gz XCOIYYXYODTGPO-UHFFFAOYSA-N 1 0 380.919 1.256 20 0 GDADRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000423098679 646113942 /nfs/dbraw/zinc/11/39/42/646113942.db2.gz DGHPJKNLSWZWJE-BXUZGUMPSA-N 1 0 380.432 1.966 20 0 GDADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423100993 646113979 /nfs/dbraw/zinc/11/39/79/646113979.db2.gz NGLHWCYITNFAQY-HNNXBMFYSA-N 1 0 398.301 1.372 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CCO1 ZINC000423115028 646115286 /nfs/dbraw/zinc/11/52/86/646115286.db2.gz WXKHCFXGPVOGHM-CABCVRRESA-N 1 0 396.285 1.299 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000423126955 646115913 /nfs/dbraw/zinc/11/59/13/646115913.db2.gz BIFBDCXLZVRPSG-QWRGUYRKSA-N 1 0 388.331 1.912 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000423180450 646118040 /nfs/dbraw/zinc/11/80/40/646118040.db2.gz NTCGPOQIYRRIIG-IUODEOHRSA-N 1 0 396.285 1.169 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000423199508 646119384 /nfs/dbraw/zinc/11/93/84/646119384.db2.gz BSPKTFNCKDHFAN-IUODEOHRSA-N 1 0 396.285 1.169 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423235609 646120150 /nfs/dbraw/zinc/12/01/50/646120150.db2.gz GSBMPXQOHHWSES-GJZGRUSLSA-N 1 0 394.313 1.518 20 0 GDADRO O=C(COC1CC[NH2+]CC1)NC[C@H](O)COc1ccccc1Br ZINC000423254404 646122506 /nfs/dbraw/zinc/12/25/06/646122506.db2.gz XYSQXZUFADLMDF-LBPRGKRZSA-N 1 0 387.274 1.074 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423371141 646123911 /nfs/dbraw/zinc/12/39/11/646123911.db2.gz HKWMRUWJRAGRMK-ZDUSSCGKSA-N 1 0 394.313 1.746 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423409428 646124570 /nfs/dbraw/zinc/12/45/70/646124570.db2.gz QAIOKQZOHGIIDA-AWEZNQCLSA-N 1 0 398.301 1.497 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000916664477 660198270 /nfs/dbraw/zinc/19/82/70/660198270.db2.gz ZDMREFDVUGALIG-UONOGXRCSA-N 1 0 385.917 1.614 20 0 GDADRO C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423523473 646127358 /nfs/dbraw/zinc/12/73/58/646127358.db2.gz NMFGLPAVUSHNNE-TUKIKUTGSA-N 1 0 396.285 1.297 20 0 GDADRO C[C@@H](NCCC[NH2+]C1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423556754 646130184 /nfs/dbraw/zinc/13/01/84/646130184.db2.gz MODPWLWXEPCHLR-SNVBAGLBSA-N 1 0 376.320 1.889 20 0 GDADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423569095 646130831 /nfs/dbraw/zinc/13/08/31/646130831.db2.gz RTFXEIMJTDHNSO-RWMBFGLXSA-N 1 0 380.286 1.646 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000423577168 646132122 /nfs/dbraw/zinc/13/21/22/646132122.db2.gz GFXXHYRBSORWCH-OCCSQVGLSA-N 1 0 396.285 1.551 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Br)C1 ZINC000423580110 646133408 /nfs/dbraw/zinc/13/34/08/646133408.db2.gz QUFMOFGGWAOSKT-ZDUSSCGKSA-N 1 0 386.265 1.757 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000423589322 646134525 /nfs/dbraw/zinc/13/45/25/646134525.db2.gz HRVDQEJYQMIZAM-OCCSQVGLSA-N 1 0 381.274 1.457 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000423592155 646134567 /nfs/dbraw/zinc/13/45/67/646134567.db2.gz LEFOQNSPBQSYBE-ZOWXZIJZSA-N 1 0 395.301 1.703 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000423602096 646136334 /nfs/dbraw/zinc/13/63/34/646136334.db2.gz FPMWQEIRYGEKOR-LBPRGKRZSA-N 1 0 384.274 1.107 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423608790 646136552 /nfs/dbraw/zinc/13/65/52/646136552.db2.gz YHFFBOGKGACEHJ-AWEZNQCLSA-N 1 0 398.301 1.374 20 0 GDADRO CN(C(=O)CS(=O)(=O)Cc1cccc(Br)c1)[C@@H](C[NH3+])C1CC1 ZINC000423944279 646145032 /nfs/dbraw/zinc/14/50/32/646145032.db2.gz HLIJPTFCCWECOF-AWEZNQCLSA-N 1 0 389.315 1.560 20 0 GDADRO CN(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@@H](C[NH3+])C1CC1 ZINC000423952174 646146243 /nfs/dbraw/zinc/14/62/43/646146243.db2.gz POFZTDFUQPNNMS-ZDUSSCGKSA-N 1 0 380.242 1.241 20 0 GDADRO CN(C(=O)c1n[nH]c2ccc(I)cc21)[C@H](C[NH3+])C1CC1 ZINC000423952715 646146306 /nfs/dbraw/zinc/14/63/06/646146306.db2.gz QACZHIXNCCPABT-GFCCVEGCSA-N 1 0 384.221 1.977 20 0 GDADRO C[C@@H]1CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C[C@H]1[NH3+] ZINC000423958885 646147016 /nfs/dbraw/zinc/14/70/16/646147016.db2.gz QXZVJIPPRYLCRB-NOZJJQNGSA-N 1 0 380.242 1.241 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000423981659 646149064 /nfs/dbraw/zinc/14/90/64/646149064.db2.gz GUIWWAKFPDBCMW-SUYBPPKGSA-N 1 0 385.555 1.653 20 0 GDADRO Cc1c(C(=O)NC[C@H]2C[NH2+]CCO2)cnn1-c1ccc(Br)cc1 ZINC000423990664 646149659 /nfs/dbraw/zinc/14/96/59/646149659.db2.gz KQWQFIFHFCHQPM-CQSZACIVSA-N 1 0 379.258 1.661 20 0 GDADRO O=C(CCOc1ccc(Cl)cc1Br)NC[C@H]1C[NH2+]CCO1 ZINC000423990065 646149674 /nfs/dbraw/zinc/14/96/74/646149674.db2.gz JOSNYXQBHHJEDR-LLVKDONJSA-N 1 0 377.666 1.976 20 0 GDADRO CN(CC[NH3+])C(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000423998966 646151189 /nfs/dbraw/zinc/15/11/89/646151189.db2.gz BSTMLHXVUUFYJV-UHFFFAOYSA-N 1 0 379.507 1.526 20 0 GDADRO O=C([C@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424048161 646156029 /nfs/dbraw/zinc/15/60/29/646156029.db2.gz YJHUXNBMLPAHCZ-KYHPRHEASA-N 1 0 377.282 1.852 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000424058867 646157282 /nfs/dbraw/zinc/15/72/82/646157282.db2.gz OGBVQSXVFZIFAW-UHFFFAOYSA-N 1 0 378.185 1.356 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000424065269 646159093 /nfs/dbraw/zinc/15/90/93/646159093.db2.gz XGOXWHUSBZMQPZ-AWEZNQCLSA-N 1 0 383.901 1.167 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)c3n[nH]c4ccc(Br)cc43)C[C@H]2[NH3+])cn1 ZINC000424225771 646166628 /nfs/dbraw/zinc/16/66/28/646166628.db2.gz NJOMQIXKUGSGPN-QWHCGFSZSA-N 1 0 389.257 1.626 20 0 GDADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000440449331 646244091 /nfs/dbraw/zinc/24/40/91/646244091.db2.gz ZKCISCAOPKFXFQ-UHFFFAOYSA-N 1 0 391.291 1.636 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000440448041 646244126 /nfs/dbraw/zinc/24/41/26/646244126.db2.gz WOMQLYCGEARLFC-GWCFXTLKSA-N 1 0 379.404 1.337 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000917536625 660215270 /nfs/dbraw/zinc/21/52/70/660215270.db2.gz OVAMCYBMGRMMMW-UHFFFAOYSA-N 1 0 382.313 1.902 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000917535475 660215273 /nfs/dbraw/zinc/21/52/73/660215273.db2.gz FNDDDTOSMVELFT-UHFFFAOYSA-N 1 0 376.906 1.862 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000917849716 660222678 /nfs/dbraw/zinc/22/26/78/660222678.db2.gz SHTYYQCIAQXIAZ-LBPRGKRZSA-N 1 0 379.404 1.950 20 0 GDADRO COC(=O)C1CCC(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000917754443 660221400 /nfs/dbraw/zinc/22/14/00/660221400.db2.gz OGHGYJSYBIYBET-PCKAHOCUSA-N 1 0 376.519 1.091 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000917889923 660223906 /nfs/dbraw/zinc/22/39/06/660223906.db2.gz IOIOCOYOLWAWKT-CQSZACIVSA-N 1 0 397.317 1.801 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000917904122 660224377 /nfs/dbraw/zinc/22/43/77/660224377.db2.gz RUYQXHZWXQJOKU-UHFFFAOYSA-N 1 0 378.325 1.861 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[NH+]2CCCC2)ccc1Br ZINC000918199816 660231642 /nfs/dbraw/zinc/23/16/42/660231642.db2.gz GKZCOGQNVKAIDO-UHFFFAOYSA-N 1 0 391.287 1.610 20 0 GDADRO COc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)sc1S(N)(=O)=O ZINC000912809786 660055034 /nfs/dbraw/zinc/05/50/34/660055034.db2.gz KVPHIYCYEWBIPO-VXGBXAGGSA-N 1 0 389.543 1.597 20 0 GDADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000912815877 660055096 /nfs/dbraw/zinc/05/50/96/660055096.db2.gz READYSHZCAVJSU-CABCVRRESA-N 1 0 387.571 1.995 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000918948001 660243467 /nfs/dbraw/zinc/24/34/67/660243467.db2.gz VQHYMRQIIBPJGY-CQSZACIVSA-N 1 0 395.294 1.665 20 0 GDADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000918947937 660243482 /nfs/dbraw/zinc/24/34/82/660243482.db2.gz UNQRFXZHNHXOLG-INIZCTEOSA-N 1 0 390.889 1.204 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000918948323 660243674 /nfs/dbraw/zinc/24/36/74/660243674.db2.gz ZTYPUFCKAGVGOZ-GFCCVEGCSA-N 1 0 383.333 1.588 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1Br ZINC000918956000 660243795 /nfs/dbraw/zinc/24/37/95/660243795.db2.gz HTZDMNHZRMFOHN-OAHLLOKOSA-N 1 0 391.331 1.835 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2csnc2-c2ccccc2)C1 ZINC000918961844 660243815 /nfs/dbraw/zinc/24/38/15/660243815.db2.gz IHGBJSDJMFWLEE-KRWDZBQOSA-N 1 0 381.523 1.887 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)C2)ccc1Cl ZINC000918956062 660243829 /nfs/dbraw/zinc/24/38/29/660243829.db2.gz JEOIVRUWPRZNGK-INIZCTEOSA-N 1 0 390.889 1.204 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)Cc2ccccc2Br)C1 ZINC000918960970 660243850 /nfs/dbraw/zinc/24/38/50/660243850.db2.gz BYOKDCZNXDHUNL-OAHLLOKOSA-N 1 0 391.331 1.667 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000918964037 660244056 /nfs/dbraw/zinc/24/40/56/660244056.db2.gz XQWTZAMJAMFUEH-OAHLLOKOSA-N 1 0 382.404 1.504 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2cscc2Br)C1 ZINC000918969054 660244175 /nfs/dbraw/zinc/24/41/75/660244175.db2.gz CEHFFDKIRHDJHG-GFCCVEGCSA-N 1 0 383.333 1.588 20 0 GDADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1ncc(Br)s1 ZINC000919143564 660246838 /nfs/dbraw/zinc/24/68/38/660246838.db2.gz KWRVMWHESLXGNH-LBPRGKRZSA-N 1 0 380.333 1.811 20 0 GDADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccccc1S(=O)(=O)NC ZINC000443050449 647177159 /nfs/dbraw/zinc/17/71/59/647177159.db2.gz ZMBFICCDTRHREN-UHFFFAOYSA-N 1 0 391.559 1.337 20 0 GDADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2cnccc2C(F)(F)F)CC1(C)C ZINC000443072303 647177727 /nfs/dbraw/zinc/17/77/27/647177727.db2.gz DSHGJBUIZINEAZ-UHFFFAOYSA-N 1 0 380.436 1.405 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000443355071 647203395 /nfs/dbraw/zinc/20/33/95/647203395.db2.gz YFRAYQRWJGTOFX-UHFFFAOYSA-N 1 0 375.516 1.815 20 0 GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000443715660 647221710 /nfs/dbraw/zinc/22/17/10/647221710.db2.gz CJBZBJNJCGGCEH-INIZCTEOSA-N 1 0 386.495 1.279 20 0 GDADRO O=C([C@H]1CC[NH2+]1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000444143359 647243475 /nfs/dbraw/zinc/24/34/75/647243475.db2.gz SFNDFRGZTHVGFK-LLVKDONJSA-N 1 0 378.281 1.188 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c(Cl)n1 ZINC000920276282 660268738 /nfs/dbraw/zinc/26/87/38/660268738.db2.gz VYNYOESLLWGGAS-LNCBFAARSA-N 1 0 387.933 1.801 20 0 GDADRO CCCN(CCC)S(=O)(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000920294937 660269046 /nfs/dbraw/zinc/26/90/46/660269046.db2.gz HVPNHQCXHVZGCY-BDXSIMOUSA-N 1 0 375.579 1.813 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3c(Cl)cnn3C)C2)[C@@H]1C(C)C ZINC000920304575 660270088 /nfs/dbraw/zinc/27/00/88/660270088.db2.gz ZZMHRLMLADLUIM-NYTXWWLZSA-N 1 0 390.937 1.222 20 0 GDADRO O=S1(=O)CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000920088509 660265505 /nfs/dbraw/zinc/26/55/05/660265505.db2.gz DVNKGFOFPQWXCM-GHMZBOCLSA-N 1 0 398.706 1.619 20 0 GDADRO CC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Cl)s1 ZINC000446787290 647294807 /nfs/dbraw/zinc/29/48/07/647294807.db2.gz XITNZGFEJYCBPK-NSHDSACASA-N 1 0 383.905 2.366 20 0 GDADRO COc1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)sc1S(N)(=O)=O ZINC000446922305 647297748 /nfs/dbraw/zinc/29/77/48/647297748.db2.gz LQZLXMZMLULJMG-GHMZBOCLSA-N 1 0 375.516 1.397 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@@H](c2cccs2)C2(CO)CCC2)cn1 ZINC000452063024 647308453 /nfs/dbraw/zinc/30/84/53/647308453.db2.gz VJLMEUBYMJSKFG-HNNXBMFYSA-N 1 0 384.527 1.253 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000452076349 647310582 /nfs/dbraw/zinc/31/05/82/647310582.db2.gz BGEVWOGDCZNTEP-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(I)c[nH]1 ZINC000452389971 647322896 /nfs/dbraw/zinc/32/28/96/647322896.db2.gz NEKDTQLBIWBNHQ-NSHDSACASA-N 1 0 377.226 1.196 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000453813741 647339042 /nfs/dbraw/zinc/33/90/42/647339042.db2.gz CNRWSPGNQQVQRC-CQSZACIVSA-N 1 0 398.301 1.659 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc(OC)c1Br ZINC000453954122 647349538 /nfs/dbraw/zinc/34/95/38/647349538.db2.gz FJCUDNPVSHWHJQ-VIFPVBQESA-N 1 0 388.262 1.471 20 0 GDADRO C[C@@H](CNC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)[NH+](C)C ZINC000454926366 647364457 /nfs/dbraw/zinc/36/44/57/647364457.db2.gz NFNBDIXYOOOIOI-JTQLQIEISA-N 1 0 381.420 1.858 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000456975830 647409791 /nfs/dbraw/zinc/40/97/91/647409791.db2.gz AYEURXFIARVXDN-NEPJUHHUSA-N 1 0 383.290 1.817 20 0 GDADRO Cn1cc(I)c(CNC(=O)NCCC[NH+]2CCCC2)n1 ZINC000457546993 647421624 /nfs/dbraw/zinc/42/16/24/647421624.db2.gz YBFSQDOVDGCFDG-UHFFFAOYSA-N 1 0 391.257 1.310 20 0 GDADRO CNS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000458207150 647438148 /nfs/dbraw/zinc/43/81/48/647438148.db2.gz VVUYJTVOAWTCBN-UHFFFAOYSA-N 1 0 381.523 1.860 20 0 GDADRO CN(C)c1cc[nH+]c(CNS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)c1 ZINC000921018131 660279952 /nfs/dbraw/zinc/27/99/52/660279952.db2.gz UGZVYVHSYIOZHE-UHFFFAOYSA-N 1 0 381.479 1.055 20 0 GDADRO OC[C@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000459643035 647462313 /nfs/dbraw/zinc/46/23/13/647462313.db2.gz HVCUKMVPLFIEJH-WFASDCNBSA-N 1 0 394.693 1.661 20 0 GDADRO OC[C@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000459643032 647462330 /nfs/dbraw/zinc/46/23/30/647462330.db2.gz HVCUKMVPLFIEJH-DOMZBBRYSA-N 1 0 394.693 1.661 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000461024850 647483066 /nfs/dbraw/zinc/48/30/66/647483066.db2.gz GLNCWYNVPPGBPT-LLVKDONJSA-N 1 0 396.285 1.890 20 0 GDADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000461901675 647503255 /nfs/dbraw/zinc/50/32/55/647503255.db2.gz VUZLFPFUCKSRLN-CYBMUJFWSA-N 1 0 379.404 1.337 20 0 GDADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000461903184 647503468 /nfs/dbraw/zinc/50/34/68/647503468.db2.gz SXLVYSJKHYNKSX-GFCCVEGCSA-N 1 0 375.288 1.742 20 0 GDADRO COC(=O)C1(CS(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)CCC1 ZINC000462094839 647508733 /nfs/dbraw/zinc/50/87/33/647508733.db2.gz CJYOGKSYCNOEMS-UHFFFAOYSA-N 1 0 376.519 1.092 20 0 GDADRO O=C1NCCN(CC[N@@H+]2CCCOCC2)[C@H]1c1cccc(Br)c1 ZINC000463154877 647551429 /nfs/dbraw/zinc/55/14/29/647551429.db2.gz GKKZEGZZKUNEKL-INIZCTEOSA-N 1 0 382.302 1.644 20 0 GDADRO O=S(=O)(NCCC[NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1Cl ZINC000467404585 647642963 /nfs/dbraw/zinc/64/29/63/647642963.db2.gz KWVJBFDNKHFEIB-LBPRGKRZSA-N 1 0 380.919 1.175 20 0 GDADRO C[NH+](C)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccccc1F ZINC000467503655 647645369 /nfs/dbraw/zinc/64/53/69/647645369.db2.gz PBYMHXHACJHYHN-HNNXBMFYSA-N 1 0 392.518 1.096 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1Cl ZINC000467518170 647645953 /nfs/dbraw/zinc/64/59/53/647645953.db2.gz BQZYBEZLRBUFFA-INIZCTEOSA-N 1 0 390.267 1.513 20 0 GDADRO CC(C)Cc1nc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000467645801 647648809 /nfs/dbraw/zinc/64/88/09/647648809.db2.gz HCTOCLQUPPSJDQ-CQSZACIVSA-N 1 0 387.571 1.923 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1=O ZINC000468113889 647658313 /nfs/dbraw/zinc/65/83/13/647658313.db2.gz SWXVUVVHENQAAJ-XJKSGUPXSA-N 1 0 394.313 1.963 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000469228678 647700065 /nfs/dbraw/zinc/70/00/65/647700065.db2.gz VCTZLDMBMJPYMJ-UHFFFAOYSA-N 1 0 389.543 1.186 20 0 GDADRO COc1cc(Br)c(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1O ZINC000470018296 647719799 /nfs/dbraw/zinc/71/97/99/647719799.db2.gz NIJSWFDUYHUHRF-NSHDSACASA-N 1 0 386.290 1.450 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000470161262 647721151 /nfs/dbraw/zinc/72/11/51/647721151.db2.gz OUGBWUNCJBPYDA-CYBMUJFWSA-N 1 0 388.306 1.830 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCCOCC[NH+](C)C ZINC000471627940 647749390 /nfs/dbraw/zinc/74/93/90/647749390.db2.gz OOBWPZGNNDKHDY-UHFFFAOYSA-N 1 0 399.282 1.453 20 0 GDADRO O[C@H](CNCc1ccc(Br)cc1N1CCOCC1)C[NH+]1CCCC1 ZINC000474347389 647759019 /nfs/dbraw/zinc/75/90/19/647759019.db2.gz FRUIXLXIXSZINL-QGZVFWFLSA-N 1 0 398.345 1.832 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000476230709 647775321 /nfs/dbraw/zinc/77/53/21/647775321.db2.gz KFDPHBPRTHYZGF-UHFFFAOYSA-N 1 0 381.274 1.943 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000476319327 647777261 /nfs/dbraw/zinc/77/72/61/647777261.db2.gz CSUKLFDRYIRDRR-OAHLLOKOSA-N 1 0 385.302 1.906 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000477300680 647799474 /nfs/dbraw/zinc/79/94/74/647799474.db2.gz NWANLYLMVYDPRB-SNVBAGLBSA-N 1 0 382.258 1.679 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479747664 647835109 /nfs/dbraw/zinc/83/51/09/647835109.db2.gz CKCFMCLKRDKJAH-SDDRHHMPSA-N 1 0 385.249 1.769 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000479956367 647838873 /nfs/dbraw/zinc/83/88/73/647838873.db2.gz YNVZWISNLDVDTM-FZMZJTMJSA-N 1 0 398.301 1.845 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1C ZINC000480801355 647857376 /nfs/dbraw/zinc/85/73/76/647857376.db2.gz PCWKSJDUMZUVPN-CYBMUJFWSA-N 1 0 391.559 1.158 20 0 GDADRO Cc1ccc(I)cc1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000481970436 647889078 /nfs/dbraw/zinc/88/90/78/647889078.db2.gz AFVPVRGNTNMJMZ-AWEZNQCLSA-N 1 0 389.237 1.788 20 0 GDADRO CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000491589203 647996800 /nfs/dbraw/zinc/99/68/00/647996800.db2.gz OTHPNFPSOMPXFM-CYBMUJFWSA-N 1 0 376.906 1.937 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@@H](C)[S@](C)=O)CC2)cc1 ZINC000494027346 648002672 /nfs/dbraw/zinc/00/26/72/648002672.db2.gz HAXCYPUQDQNHHJ-SHACYNPGSA-N 1 0 388.555 1.595 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000497355066 648026301 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1.560 20 0 GDADRO Cc1sc(CCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)nc1-c1ccccc1 ZINC000498082300 648048988 /nfs/dbraw/zinc/04/89/88/648048988.db2.gz NSMQTPMIHSTKLR-CQSZACIVSA-N 1 0 381.523 1.539 20 0 GDADRO CO[C@@H](C)c1nc(CN2CCCN(C(=O)[C@H]([NH3+])CC(F)F)CC2)cs1 ZINC000498212551 648051632 /nfs/dbraw/zinc/05/16/32/648051632.db2.gz QBOWZWVDGSRLBX-WCQYABFASA-N 1 0 376.473 1.867 20 0 GDADRO [NH3+][C@@H](CC(F)F)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000498217539 648052270 /nfs/dbraw/zinc/05/22/70/648052270.db2.gz XIIFOMNOJXZFJM-AWEZNQCLSA-N 1 0 375.441 1.460 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)C(=O)N(C)Cc2cc(Br)cn2C)CC1 ZINC000498867810 648068072 /nfs/dbraw/zinc/06/80/72/648068072.db2.gz PSDZTIZNDSSPSF-UHFFFAOYSA-N 1 0 397.317 1.514 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cn2cc(Br)cn2)on1 ZINC000502011417 648151611 /nfs/dbraw/zinc/15/16/11/648151611.db2.gz VTZATLKLAOGNNF-NSHDSACASA-N 1 0 380.246 1.648 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000502841088 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GDADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000582775665 652014366 /nfs/dbraw/zinc/01/43/66/652014366.db2.gz SJHHVWHHNMUBQA-XJKSGUPXSA-N 1 0 378.881 1.897 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000582808532 652016707 /nfs/dbraw/zinc/01/67/07/652016707.db2.gz PXTYHHMKWGVIJJ-NSHDSACASA-N 1 0 386.909 1.919 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000583263325 652033187 /nfs/dbraw/zinc/03/31/87/652033187.db2.gz ROKAYNHMGIQKFE-WDEREUQCSA-N 1 0 394.273 1.815 20 0 GDADRO O=C1C[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CN1c1ccc(Cl)c(F)c1 ZINC000583626384 652043202 /nfs/dbraw/zinc/04/32/02/652043202.db2.gz PCIMGZVBMDXPLI-NSHDSACASA-N 1 0 390.864 1.114 20 0 GDADRO O=C1C[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)[C@@H]2CCCCN12 ZINC000583930385 652050200 /nfs/dbraw/zinc/05/02/00/652050200.db2.gz CRINHTBHOFIZJC-BPUTZDHNSA-N 1 0 383.286 1.932 20 0 GDADRO CC(C)(CCC[NH3+])NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000583935284 652050556 /nfs/dbraw/zinc/05/05/56/652050556.db2.gz CJMYOAZPQNYNMU-UHFFFAOYSA-N 1 0 382.313 1.905 20 0 GDADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000584241858 652063609 /nfs/dbraw/zinc/06/36/09/652063609.db2.gz YBTZTNHVCBPFJG-UHFFFAOYSA-N 1 0 382.511 1.303 20 0 GDADRO CCS(=O)(=O)N1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)[C@H](C)C1 ZINC000584308831 652065809 /nfs/dbraw/zinc/06/58/09/652065809.db2.gz APHQHZWDHDUGAI-MRXNPFEDSA-N 1 0 376.567 1.561 20 0 GDADRO CSCC[C@H](NC(N)=O)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000584402841 652068860 /nfs/dbraw/zinc/06/88/60/652068860.db2.gz XLOZWQRQEYCCIN-GJZGRUSLSA-N 1 0 384.571 1.917 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN1CCc2c(F)ccc(Br)c2C1 ZINC000584478400 652072727 /nfs/dbraw/zinc/07/27/27/652072727.db2.gz RBTDROZVGOCCKF-LBPRGKRZSA-N 1 0 375.282 1.885 20 0 GDADRO CC(=O)N[C@@H](CC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1 ZINC000584820305 652083510 /nfs/dbraw/zinc/08/35/10/652083510.db2.gz MFNQKHBUBRIADK-HOTGVXAUSA-N 1 0 398.301 1.511 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c1OC ZINC000585734400 652085590 /nfs/dbraw/zinc/08/55/90/652085590.db2.gz DYTQEHRFRDWUKK-UHFFFAOYSA-N 1 0 390.889 1.850 20 0 GDADRO CSC1(CNC(=O)NCCS(=O)(=O)c2ccccc2)CC[NH+](C)CC1 ZINC000589325738 652111957 /nfs/dbraw/zinc/11/19/57/652111957.db2.gz QCCQMYNHNUXNCB-UHFFFAOYSA-N 1 0 385.555 1.587 20 0 GDADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000589645334 652117053 /nfs/dbraw/zinc/11/70/53/652117053.db2.gz ISUWVLMNESKSLB-KRWDZBQOSA-N 1 0 385.555 1.356 20 0 GDADRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c1 ZINC000589643318 652117153 /nfs/dbraw/zinc/11/71/53/652117153.db2.gz QHNFCYDLKUVJRG-UHFFFAOYSA-N 1 0 383.495 1.256 20 0 GDADRO O=C(Cc1ccc(I)cc1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000590371072 652128846 /nfs/dbraw/zinc/12/88/46/652128846.db2.gz GESBRWBPIXVZQL-CQSZACIVSA-N 1 0 388.249 1.407 20 0 GDADRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc(I)cc2)C1 ZINC000590653569 652137330 /nfs/dbraw/zinc/13/73/30/652137330.db2.gz 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ZINC000592548037 652193702 /nfs/dbraw/zinc/19/37/02/652193702.db2.gz LHFSJHHABDBMKQ-OAHLLOKOSA-N 1 0 399.285 1.972 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000592550707 652194478 /nfs/dbraw/zinc/19/44/78/652194478.db2.gz HBCACBNQLLLHSQ-HUUCEWRRSA-N 1 0 381.270 1.842 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H](C)n3cc(Br)cn3)C2)CC1 ZINC000592761403 652202478 /nfs/dbraw/zinc/20/24/78/652202478.db2.gz NLXQYGKWSXEQKB-HOCLYGCPSA-N 1 0 398.349 1.835 20 0 GDADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050576 652209198 /nfs/dbraw/zinc/20/91/98/652209198.db2.gz GMDQARVUEUJLLH-MRXNPFEDSA-N 1 0 388.295 1.913 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000593731423 652244691 /nfs/dbraw/zinc/24/46/91/652244691.db2.gz WPJGTZSGRJVWJP-WDEREUQCSA-N 1 0 376.500 1.681 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000593732356 652245348 /nfs/dbraw/zinc/24/53/48/652245348.db2.gz 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385.209 1.500 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000595106859 652392197 /nfs/dbraw/zinc/39/21/97/652392197.db2.gz YHODEMVJIUHIBM-SNVBAGLBSA-N 1 0 391.287 1.514 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000595107827 652392494 /nfs/dbraw/zinc/39/24/94/652392494.db2.gz KXHDCRNKGHJASA-LLVKDONJSA-N 1 0 377.260 1.251 20 0 GDADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(Br)ccc1C(=O)OC ZINC000595107892 652392517 /nfs/dbraw/zinc/39/25/17/652392517.db2.gz LORFROIYDNIAHK-SECBINFHSA-N 1 0 379.276 1.512 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000595109075 652392705 /nfs/dbraw/zinc/39/27/05/652392705.db2.gz XZJFRVLUISGKID-NXEZZACHSA-N 1 0 391.287 1.594 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3cc(Cl)cc(Br)c3)CCN2C1=O ZINC000595232404 652399646 /nfs/dbraw/zinc/39/96/46/652399646.db2.gz AOEGGYBXYZREHV-RYUDHWBXSA-N 1 0 387.665 1.878 20 0 GDADRO CCOC(=O)CCCS(=O)(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000595404005 652417455 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C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CCO1 ZINC000646843774 653614845 /nfs/dbraw/zinc/61/48/45/653614845.db2.gz LKKMBXVMAFVRHO-IAQYHMDHSA-N 1 0 379.258 1.823 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ncc(Br)cc2Br)CCO1 ZINC000646853541 653615059 /nfs/dbraw/zinc/61/50/59/653615059.db2.gz HZHZWWPZQFSWAR-GMSGAONNSA-N 1 0 393.079 1.795 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCO1 ZINC000646861879 653615234 /nfs/dbraw/zinc/61/52/34/653615234.db2.gz PRUACGVCWXIOJC-HUBLWGQQSA-N 1 0 396.285 1.377 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCO1 ZINC000646861880 653615239 /nfs/dbraw/zinc/61/52/39/653615239.db2.gz PRUACGVCWXIOJC-SLEUVZQESA-N 1 0 396.285 1.377 20 0 GDADRO Cc1c(C(=O)N2CCC(C)([NH3+])CC2)cc(Br)cc1S(N)(=O)=O ZINC000646993951 653618866 /nfs/dbraw/zinc/61/88/66/653618866.db2.gz PHYUEOPGATZODR-UHFFFAOYSA-N 1 0 390.303 1.358 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000647022419 653618988 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COc1cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)c(OC)cc1Br ZINC000647254455 653624382 /nfs/dbraw/zinc/62/43/82/653624382.db2.gz OCZJDJKJEOMMOX-UHFFFAOYSA-N 1 0 393.303 1.968 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647264827 653624552 /nfs/dbraw/zinc/62/45/52/653624552.db2.gz ULVPHMKIKXSUPN-FZMZJTMJSA-N 1 0 387.889 1.680 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000647259681 653624621 /nfs/dbraw/zinc/62/46/21/653624621.db2.gz NBTIPFPVWLOIHG-WDEREUQCSA-N 1 0 375.878 1.855 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c(OC)cc1Br ZINC000647285873 653625128 /nfs/dbraw/zinc/62/51/28/653625128.db2.gz VMFMGVZBBVTETK-SNVBAGLBSA-N 1 0 393.303 1.887 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c(F)c1 ZINC000647297891 653625491 /nfs/dbraw/zinc/62/54/91/653625491.db2.gz SBMFMFATJRTPOO-LBPRGKRZSA-N 1 0 379.479 1.089 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc2c1OCC2 ZINC000647319547 653625951 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CN(CCN1CC[NH2+]CC1)C(=O)c1c2ccc(Br)cc2nn1C ZINC000647779072 653634265 /nfs/dbraw/zinc/63/42/65/653634265.db2.gz OKCXXSHCLAVWIK-UHFFFAOYSA-N 1 0 380.290 1.313 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)Cc3cc(F)ccc3Br)C2)CC1 ZINC000647825199 653635294 /nfs/dbraw/zinc/63/52/94/653635294.db2.gz LYPDIJQXAUDLGY-UHFFFAOYSA-N 1 0 384.293 1.837 20 0 GDADRO CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000648004932 653637210 /nfs/dbraw/zinc/63/72/10/653637210.db2.gz IVEBGYPUGCEWAK-LLVKDONJSA-N 1 0 377.413 1.640 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCc2c(F)cc(Br)cc2C1 ZINC000648101969 653638553 /nfs/dbraw/zinc/63/85/53/653638553.db2.gz MDDGGNRKZLNZIL-OAHLLOKOSA-N 1 0 398.276 1.731 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106971 653638760 /nfs/dbraw/zinc/63/87/60/653638760.db2.gz LUWHNKXSPYWPNZ-UHFFFAOYSA-N 1 0 380.857 1.298 20 0 GDADRO CC[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000648126501 653639528 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385.306 1.918 20 0 GDADRO CCCN(C(=O)CCNS(=O)(=O)c1ccccc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000649003881 653662138 /nfs/dbraw/zinc/66/21/38/653662138.db2.gz NNKNGBZQMLLHBE-CQSZACIVSA-N 1 0 387.933 1.951 20 0 GDADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649075018 653663610 /nfs/dbraw/zinc/66/36/10/653663610.db2.gz UTZGIOQEAFHIHY-STQMWFEESA-N 1 0 398.301 1.795 20 0 GDADRO COc1cc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c(Br)cc1O ZINC000649195908 653664493 /nfs/dbraw/zinc/66/44/93/653664493.db2.gz YJPLBBUKQMMDPL-CYBMUJFWSA-N 1 0 384.274 1.169 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000649216395 653665202 /nfs/dbraw/zinc/66/52/02/653665202.db2.gz TUMQASJIXAUFLM-INIZCTEOSA-N 1 0 383.290 1.768 20 0 GDADRO COc1ccc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(Br)c1 ZINC000650022846 653681817 /nfs/dbraw/zinc/68/18/17/653681817.db2.gz UMUZMICDNFVDAX-UHFFFAOYSA-N 1 0 399.289 1.695 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2c(F)ccc(Br)c2F)CC1=O ZINC000650307743 653691128 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C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F ZINC000651613047 653839340 /nfs/dbraw/zinc/83/93/40/653839340.db2.gz LONYWXRCRFSRBH-MRXNPFEDSA-N 1 0 376.498 1.209 20 0 GDADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891317 653867515 /nfs/dbraw/zinc/86/75/15/653867515.db2.gz QXUYRCGHBLPWRD-UHFFFAOYSA-N 1 0 387.933 1.339 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000652418368 653890439 /nfs/dbraw/zinc/89/04/39/653890439.db2.gz IANRYKGYDZSKKW-AWEZNQCLSA-N 1 0 383.286 1.888 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653059139 653904721 /nfs/dbraw/zinc/90/47/21/653904721.db2.gz WCTQCVPFIFDAJO-SJCJKPOMSA-N 1 0 396.285 1.390 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)c(C)s1 ZINC000653080893 653905568 /nfs/dbraw/zinc/90/55/68/653905568.db2.gz XWDJVUJLTKWQIG-OAHLLOKOSA-N 1 0 385.555 1.588 20 0 GDADRO COc1cc(Br)c(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1OC ZINC000653085681 653905848 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GDADRO CCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(S(=O)(=O)NC)s2)CC1 ZINC000654361027 653934481 /nfs/dbraw/zinc/93/44/81/653934481.db2.gz ZFZZMZABGDRLSD-UHFFFAOYSA-N 1 0 388.559 1.672 20 0 GDADRO C[C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Oc1ccc(Br)cc1 ZINC000654470862 653937656 /nfs/dbraw/zinc/93/76/56/653937656.db2.gz GMTIGGJADYWABH-VHDGCEQUSA-N 1 0 398.301 1.677 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1scc2c1OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000654870748 653949845 /nfs/dbraw/zinc/94/98/45/653949845.db2.gz ZLZVTBPGGUWWDF-LBPRGKRZSA-N 1 0 388.511 1.100 20 0 GDADRO C[C@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)C(=O)NCC[NH+](C)C ZINC000655081642 653958032 /nfs/dbraw/zinc/95/80/32/653958032.db2.gz VGMSWKJUKONUKG-NSHDSACASA-N 1 0 395.301 1.655 20 0 GDADRO O=C(c1ccn(-c2ccc(Br)cc2)n1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294087 653963348 /nfs/dbraw/zinc/96/33/48/653963348.db2.gz JTXHYXQJPJBIRM-LSDHHAIUSA-N 1 0 391.269 1.526 20 0 GDADRO O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296281 653963712 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GDADRO Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc12 ZINC000655513158 653973329 /nfs/dbraw/zinc/97/33/29/653973329.db2.gz QQUMVGOFCWPIPQ-OIBJUYFYSA-N 1 0 377.392 1.067 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)C(F)(F)F ZINC000655913786 653993522 /nfs/dbraw/zinc/99/35/22/653993522.db2.gz IZWAYWQUVWMQCD-XVKPBYJWSA-N 1 0 390.189 1.922 20 0 GDADRO Cc1ccc([C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000655929434 653994649 /nfs/dbraw/zinc/99/46/49/653994649.db2.gz RZVLHVXETXUDKZ-RAIGVLPGSA-N 1 0 381.420 1.658 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655957086 653996243 /nfs/dbraw/zinc/99/62/43/653996243.db2.gz NKNAYPZPWBEVNS-SECBINFHSA-N 1 0 386.143 1.841 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000656125799 654003655 /nfs/dbraw/zinc/00/36/55/654003655.db2.gz QLFPOLVNXWOKPK-GDLCADMTSA-N 1 0 383.290 1.615 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2C2CC2)cc[nH+]1 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C[C@@H](NC(=O)NCCNC(=O)c1ccc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000659510646 654227734 /nfs/dbraw/zinc/22/77/34/654227734.db2.gz RFTLNRNQDBJIHF-VXGBXAGGSA-N 1 0 398.305 1.261 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@H]1C(F)(F)F ZINC000659516152 654227777 /nfs/dbraw/zinc/22/77/77/654227777.db2.gz FVFXZDJPRBAPBU-JHJVBQTASA-N 1 0 385.452 1.511 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659519100 654228382 /nfs/dbraw/zinc/22/83/82/654228382.db2.gz FNMPCDVRUWSSKG-DGCLKSJQSA-N 1 0 398.305 1.391 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CCCC[C@H]3C[NH+](C)C)cc2C1 ZINC000660006800 654237026 /nfs/dbraw/zinc/23/70/26/654237026.db2.gz DDBBDGRHIKCZMQ-HNNXBMFYSA-N 1 0 385.555 1.758 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CCO1 ZINC000660155136 654241999 /nfs/dbraw/zinc/24/19/99/654241999.db2.gz GGWJRQHKHWEXMF-GFCCVEGCSA-N 1 0 381.420 1.832 20 0 GDADRO C[N@H+](CC(=O)c1c[nH]c2ncc(Br)cc12)C1(CO)CCOCC1 ZINC000660402293 654248890 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CCc1nsc(N2CCCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CC2)n1 ZINC000662752092 654301579 /nfs/dbraw/zinc/30/15/79/654301579.db2.gz HASNAGJSPAZIDA-AWEZNQCLSA-N 1 0 377.436 1.681 20 0 GDADRO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000662813957 654303161 /nfs/dbraw/zinc/30/31/61/654303161.db2.gz GGAWDTDNYHGWAO-CQSZACIVSA-N 1 0 386.543 1.655 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)c2cc(Br)c3c(c2)OCCO3)nn1C ZINC000662842875 654305448 /nfs/dbraw/zinc/30/54/48/654305448.db2.gz UEHVGTCOAVKDPY-UHFFFAOYSA-N 1 0 381.230 1.973 20 0 GDADRO C[C@@]1(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CC[NH2+]C1 ZINC000663004010 654318192 /nfs/dbraw/zinc/31/81/92/654318192.db2.gz CBYGFLQELXPSQK-QGZVFWFLSA-N 1 0 379.507 1.708 20 0 GDADRO CCC(CC)[C@H](CNc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)[NH+](C)C ZINC000663380665 654336124 /nfs/dbraw/zinc/33/61/24/654336124.db2.gz VIKAVPNENMWZOK-HNNXBMFYSA-N 1 0 391.559 1.516 20 0 GDADRO O=C([C@@H](c1ccc(Br)cc1)N1CCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663493846 654339018 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385.555 1.837 20 0 GDADRO O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)[C@@H]1CC1(Cl)Cl ZINC000767149513 655285279 /nfs/dbraw/zinc/28/52/79/655285279.db2.gz MBIWFGPYWHGSHF-KKUMJFAQSA-N 1 0 382.291 1.895 20 0 GDADRO O=C1N[C@H]2CC[N@@H+](Cn3nc(Br)c(=O)c4ccccc43)C[C@@H]2CO1 ZINC000799144134 655285595 /nfs/dbraw/zinc/28/55/95/655285595.db2.gz YXLUCYILMJJWCO-PWSUYJOCSA-N 1 0 393.241 1.547 20 0 GDADRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)C1 ZINC000815123851 655288317 /nfs/dbraw/zinc/28/83/17/655288317.db2.gz QBPMEGJXVKBHCJ-JKSUJKDBSA-N 1 0 376.519 1.140 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(C)c2I)C1 ZINC000815148621 655288855 /nfs/dbraw/zinc/28/88/55/655288855.db2.gz BSNFIAKZCUZTCT-JTQLQIEISA-N 1 0 376.242 1.486 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@H]1[NH+](C)C ZINC000767315282 655289395 /nfs/dbraw/zinc/28/93/95/655289395.db2.gz MJICUABVGHJMMJ-HZPDHXFCSA-N 1 0 386.539 1.427 20 0 GDADRO C[NH+](C)CCNC(=S)NC[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F ZINC000840802105 655297725 /nfs/dbraw/zinc/29/77/25/655297725.db2.gz RKBPEOOGMIGKAQ-GFCCVEGCSA-N 1 0 380.505 1.904 20 0 GDADRO C[NH+]1CCC(NC(=S)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)CC1 ZINC000840805600 655297908 /nfs/dbraw/zinc/29/79/08/655297908.db2.gz UHPFWEYIHLQJRC-NEPJUHHUSA-N 1 0 378.464 1.298 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000767638394 655299806 /nfs/dbraw/zinc/29/98/06/655299806.db2.gz VSGFUDCZTYVIBJ-UHFFFAOYSA-N 1 0 375.535 1.649 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1cn2c(Br)cnc2s1 ZINC000815692852 655302297 /nfs/dbraw/zinc/30/22/97/655302297.db2.gz DHBGBHYJDBLSFT-UHFFFAOYSA-N 1 0 375.292 1.856 20 0 GDADRO COc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)cnc1Cl ZINC000767764522 655304011 /nfs/dbraw/zinc/30/40/11/655304011.db2.gz CTNKBUDONRDYFS-UHFFFAOYSA-N 1 0 384.889 1.891 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000841095967 655308573 /nfs/dbraw/zinc/30/85/73/655308573.db2.gz OCHSBNCKHJCYMK-SECBINFHSA-N 1 0 381.376 1.944 20 0 GDADRO CS(=O)(=O)CCOc1cccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000841096342 655308724 /nfs/dbraw/zinc/30/87/24/655308724.db2.gz UYJZKSFODQYIOE-ZDUSSCGKSA-N 1 0 377.413 1.229 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)CC1 ZINC000841143348 655310136 /nfs/dbraw/zinc/31/01/36/655310136.db2.gz YIWVXESLOGXWMB-UHFFFAOYSA-N 1 0 377.242 1.886 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2C)C1 ZINC000841170154 655311967 /nfs/dbraw/zinc/31/19/67/655311967.db2.gz RCINIEILQUNCTG-SECBINFHSA-N 1 0 389.681 1.812 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC[C@@H]1[NH3+] ZINC000841179641 655312353 /nfs/dbraw/zinc/31/23/53/655312353.db2.gz RAIWUZUKQAFULU-XVKPBYJWSA-N 1 0 375.654 1.632 20 0 GDADRO Cc1c(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cnc(Cl)c1Br ZINC000841190563 655313175 /nfs/dbraw/zinc/31/31/75/655313175.db2.gz FNDPFHZZMDFEGN-VIFPVBQESA-N 1 0 376.686 1.913 20 0 GDADRO Cc1c(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cnc(Cl)c1Br ZINC000841209524 655314190 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C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000841452438 655325494 /nfs/dbraw/zinc/32/54/94/655325494.db2.gz CMKJIXAHXJHTRF-NWDGAFQWSA-N 1 0 381.527 1.209 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000816920266 655338367 /nfs/dbraw/zinc/33/83/67/655338367.db2.gz MACYGHHZMIXUQD-SNVBAGLBSA-N 1 0 375.698 1.863 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2cccc(S(=O)(=O)C(F)F)c2)CCOCC1 ZINC000817536657 655353694 /nfs/dbraw/zinc/35/36/94/655353694.db2.gz UZICIBFRUYNGAY-UHFFFAOYSA-N 1 0 376.425 1.524 20 0 GDADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000842004668 655355105 /nfs/dbraw/zinc/35/51/05/655355105.db2.gz RBXGOTXUTJTAKC-SGMGOOAPSA-N 1 0 375.441 1.579 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)C1 ZINC000842019991 655355316 /nfs/dbraw/zinc/35/53/16/655355316.db2.gz BKGLMZBZVXKDDQ-GXTWGEPZSA-N 1 0 384.933 1.670 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)[C@@H]1C[NH3+] ZINC000842022433 655355490 /nfs/dbraw/zinc/35/54/90/655355490.db2.gz ZIYMLOIRPYFNRA-TZMCWYRMSA-N 1 0 384.933 1.670 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)C[C@@H]1C[NH3+] ZINC000842022264 655355496 /nfs/dbraw/zinc/35/54/96/655355496.db2.gz WTYIVXYDACTCTK-OCCSQVGLSA-N 1 0 384.933 1.528 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N(C)C2CCC([NH3+])CC2)cc1Br ZINC000842176254 655357793 /nfs/dbraw/zinc/35/77/93/655357793.db2.gz MGBHYFANOGGHSK-UHFFFAOYSA-N 1 0 398.301 1.802 20 0 GDADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000842184676 655358018 /nfs/dbraw/zinc/35/80/18/655358018.db2.gz UVAFPAGTXROXHX-OWCLPIDISA-N 1 0 385.599 1.911 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCSC(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC000842201518 655358132 /nfs/dbraw/zinc/35/81/32/655358132.db2.gz VNIBETTWSKJCFS-NWDGAFQWSA-N 1 0 379.379 1.448 20 0 GDADRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000842207706 655358682 /nfs/dbraw/zinc/35/86/82/655358682.db2.gz TUZTXHQQFFXMNM-WCQYABFASA-N 1 0 389.905 1.944 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCc2ccc(Br)cc2F)C1 ZINC000842216869 655359355 /nfs/dbraw/zinc/35/93/55/655359355.db2.gz PGAKLPCESYXNHL-INIZCTEOSA-N 1 0 386.265 1.444 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2F)C[C@H](C)[NH2+]1 ZINC000842217151 655359369 /nfs/dbraw/zinc/35/93/69/655359369.db2.gz SUWVMTWBPDSSQH-QWRGUYRKSA-N 1 0 386.265 1.456 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000842217039 655359407 /nfs/dbraw/zinc/35/94/07/655359407.db2.gz SAUVQQQYSLYSOV-ZDUSSCGKSA-N 1 0 386.265 1.587 20 0 GDADRO C[C@H]1CC[NH2+][C@H](C(=O)NCCNc2ncnc3c2c(Br)nn3C)C1 ZINC000817935775 655362608 /nfs/dbraw/zinc/36/26/08/655362608.db2.gz DLRHQFUMDXFNDO-UWVGGRQHSA-N 1 0 396.293 1.042 20 0 GDADRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817967379 655363040 /nfs/dbraw/zinc/36/30/40/655363040.db2.gz GYQJHCCVIRWKPT-DVOMOZLQSA-N 1 0 389.543 1.061 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000842476521 655366498 /nfs/dbraw/zinc/36/64/98/655366498.db2.gz QJWNGWOKZVFNKC-JRPNMDOOSA-N 1 0 375.441 1.598 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c(Cl)cc1Cl ZINC000842482432 655367440 /nfs/dbraw/zinc/36/74/40/655367440.db2.gz VUTWVMLDAAWGTJ-SECBINFHSA-N 1 0 397.280 1.437 20 0 GDADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1c(Cl)ccnc1Cl ZINC000842483174 655367583 /nfs/dbraw/zinc/36/75/83/655367583.db2.gz GEQXOYGNNXZMDB-UHFFFAOYSA-N 1 0 393.340 1.883 20 0 GDADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1cnc(Cl)c(Cl)c1 ZINC000842483922 655367697 /nfs/dbraw/zinc/36/76/97/655367697.db2.gz XBKUCFPPXZYSQK-UHFFFAOYSA-N 1 0 393.340 1.883 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842484668 655367941 /nfs/dbraw/zinc/36/79/41/655367941.db2.gz OMGLTBPCPNFAQW-CYBMUJFWSA-N 1 0 398.428 1.497 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)/C=C/c2ccc(Br)cc2)CCCO1 ZINC000842485469 655368162 /nfs/dbraw/zinc/36/81/62/655368162.db2.gz UZOYAZYPWXBAON-MRZGDXHCSA-N 1 0 375.288 1.799 20 0 GDADRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000842692424 655371576 /nfs/dbraw/zinc/37/15/76/655371576.db2.gz DVEGJBWBDHSINC-NSHDSACASA-N 1 0 375.466 1.724 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000842696757 655371671 /nfs/dbraw/zinc/37/16/71/655371671.db2.gz BOQBXGSBRZHSTC-VXGBXAGGSA-N 1 0 375.516 1.313 20 0 GDADRO CC[NH2+]CCNS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000842704003 655372204 /nfs/dbraw/zinc/37/22/04/655372204.db2.gz HOVKANFCEZJGKP-UHFFFAOYSA-N 1 0 397.950 1.258 20 0 GDADRO C[NH2+]CC1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000842710027 655372650 /nfs/dbraw/zinc/37/26/50/655372650.db2.gz BVWNZKOFAUGYMZ-UHFFFAOYSA-N 1 0 382.454 1.303 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC[C@H]1[NH3+] ZINC000842720077 655373403 /nfs/dbraw/zinc/37/34/03/655373403.db2.gz QTUBJDOJVCRJTR-VHSXEESVSA-N 1 0 386.417 1.338 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000842744305 655374812 /nfs/dbraw/zinc/37/48/12/655374812.db2.gz QDGAXMIDPGVEJH-KWQFWETISA-N 1 0 397.266 1.334 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000842747127 655375132 /nfs/dbraw/zinc/37/51/32/655375132.db2.gz IGAKWURHKADLNB-LLVKDONJSA-N 1 0 378.903 1.259 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000842750084 655375216 /nfs/dbraw/zinc/37/52/16/655375216.db2.gz BHRBGWUURPTDDP-VXGBXAGGSA-N 1 0 387.889 1.674 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])ccc1Cl ZINC000818519203 655375712 /nfs/dbraw/zinc/37/57/12/655375712.db2.gz WBFBFWIHILEKAK-BXUZGUMPSA-N 1 0 389.905 1.721 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1Cl ZINC000818554121 655376177 /nfs/dbraw/zinc/37/61/77/655376177.db2.gz JEGGKXOEIDGXJN-GHMZBOCLSA-N 1 0 375.878 1.344 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)ccc1Br ZINC000842774195 655376304 /nfs/dbraw/zinc/37/63/04/655376304.db2.gz 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CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000818592005 655376933 /nfs/dbraw/zinc/37/69/33/655376933.db2.gz LRECBLFHOIJMIM-KRWDZBQOSA-N 1 0 385.917 1.806 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842788682 655377002 /nfs/dbraw/zinc/37/70/02/655377002.db2.gz JWJBILVERHULKC-NXEZZACHSA-N 1 0 386.417 1.338 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)CC[NH3+])c(Br)cc1F ZINC000842790786 655377285 /nfs/dbraw/zinc/37/72/85/655377285.db2.gz NGRHJGIMCLWWEM-SSDOTTSWSA-N 1 0 383.239 1.390 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)F)c1 ZINC000842795408 655377706 /nfs/dbraw/zinc/37/77/06/655377706.db2.gz HJEOVUPHKIBHFB-ZDUSSCGKSA-N 1 0 375.441 1.632 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)OC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000842828284 655380028 /nfs/dbraw/zinc/38/00/28/655380028.db2.gz AWEFAYDOOFKVTF-CABCVRRESA-N 1 0 380.576 1.711 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)c(Br)o1 ZINC000842846055 655380721 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GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1F ZINC000842895036 655383386 /nfs/dbraw/zinc/38/33/86/655383386.db2.gz XAEXOXUWNSNICH-OLZOCXBDSA-N 1 0 390.502 1.239 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(F)cc1Br ZINC000842913484 655383926 /nfs/dbraw/zinc/38/39/26/655383926.db2.gz HSOPXMMOXJCDFT-SFYZADRCSA-N 1 0 397.266 1.779 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(F)cc1F)NC[C@@H]1CCCCO1 ZINC000819052305 655384122 /nfs/dbraw/zinc/38/41/22/655384122.db2.gz BXZJAGDISYPAOV-XJKSGUPXSA-N 1 0 378.441 1.076 20 0 GDADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)c3ccc(Br)cc3)C2=O)n(C)n1 ZINC000819119648 655386451 /nfs/dbraw/zinc/38/64/51/655386451.db2.gz AXOXGDGAPIAGJG-CABCVRRESA-N 1 0 393.285 1.920 20 0 GDADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000843053675 655387462 /nfs/dbraw/zinc/38/74/62/655387462.db2.gz QLGOJXADBHBKLS-UHFFFAOYSA-N 1 0 394.273 1.966 20 0 GDADRO COC[C@H](C)OC[C@H](O)C[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000843084011 655388155 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20 0 GDADRO C[C@H](NC(=O)CCc1nc(CC[NH3+])no1)C(=O)c1ccc(Br)cc1 ZINC000843131559 655389100 /nfs/dbraw/zinc/38/91/00/655389100.db2.gz NEAWEFRXVFZMIJ-JTQLQIEISA-N 1 0 395.257 1.654 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccc(F)cn1)c1ccc(F)cc1F ZINC000819285997 655389289 /nfs/dbraw/zinc/38/92/89/655389289.db2.gz CITYBGMJIHHIKY-CQSZACIVSA-N 1 0 375.372 1.100 20 0 GDADRO CC(C)S(=O)(=O)CC[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819317996 655389890 /nfs/dbraw/zinc/38/98/90/655389890.db2.gz XVPBBKXGDFOMIE-OAHLLOKOSA-N 1 0 378.535 1.407 20 0 GDADRO Cn1ncc(CCC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000819331059 655390070 /nfs/dbraw/zinc/39/00/70/655390070.db2.gz ITKVDZMNWVPNOC-CQSZACIVSA-N 1 0 387.253 1.679 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819324737 655390103 /nfs/dbraw/zinc/39/01/03/655390103.db2.gz RDHQQYQAPJGMIM-CYBMUJFWSA-N 1 0 399.738 1.791 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C1CCOCC1 ZINC000819349219 655390426 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O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000843492540 655396938 /nfs/dbraw/zinc/39/69/38/655396938.db2.gz NNKTUFBGQPPDDS-DOMZBBRYSA-N 1 0 386.279 1.984 20 0 GDADRO CCn1ncc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000820111689 655403216 /nfs/dbraw/zinc/40/32/16/655403216.db2.gz SBLARGMDPVLOJX-LBPRGKRZSA-N 1 0 385.306 1.896 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000844197972 655408487 /nfs/dbraw/zinc/40/84/87/655408487.db2.gz BQYRFJHZPOXDQL-JTQLQIEISA-N 1 0 384.221 1.809 20 0 GDADRO C[NH+]1CCC(OCC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000820341077 655408494 /nfs/dbraw/zinc/40/84/94/655408494.db2.gz BHERGSCWYXVFIN-OAHLLOKOSA-N 1 0 389.265 1.849 20 0 GDADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000844305382 655409328 /nfs/dbraw/zinc/40/93/28/655409328.db2.gz ZJGRJFYYTLBKBI-SUMWQHHRSA-N 1 0 376.519 1.585 20 0 GDADRO COC(=O)c1ccc(Br)cc1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844378476 655409851 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O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Br)c2nccnc2c1 ZINC000820990239 655420391 /nfs/dbraw/zinc/42/03/91/655420391.db2.gz LQBYTXGUMSCMBD-ZDUSSCGKSA-N 1 0 393.285 1.969 20 0 GDADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCn1cnc(Br)n1 ZINC000821390953 655428409 /nfs/dbraw/zinc/42/84/09/655428409.db2.gz GGJHXPKDRLYXGG-SNVBAGLBSA-N 1 0 388.291 1.381 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000821728732 655433900 /nfs/dbraw/zinc/43/39/00/655433900.db2.gz QDDJREIMGLWCSS-UHFFFAOYSA-N 1 0 384.267 1.487 20 0 GDADRO CSc1nnc(CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)s1 ZINC000845989595 655442204 /nfs/dbraw/zinc/44/22/04/655442204.db2.gz INVMQTPNGZBGSZ-SNVBAGLBSA-N 1 0 389.547 1.721 20 0 GDADRO C[C@H]1CC[C@@H]([NH2+]CCCN2CCCS2(=O)=O)CN1C(=O)OC(C)(C)C ZINC000822455693 655445623 /nfs/dbraw/zinc/44/56/23/655445623.db2.gz IOXLGZCOYFUBDJ-LSDHHAIUSA-N 1 0 375.535 1.790 20 0 GDADRO C[C@@H]1CC[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CN1C(=O)OC(C)(C)C ZINC000822465054 655445883 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389.905 1.793 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cnc1Cl ZINC000850590213 655559369 /nfs/dbraw/zinc/55/93/69/655559369.db2.gz ZEEZXLSSPBTHFR-SGMGOOAPSA-N 1 0 389.905 1.651 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)nc2Cl)CC1 ZINC000850593726 655559853 /nfs/dbraw/zinc/55/98/53/655559853.db2.gz YRCZLJBUEQHARO-UHFFFAOYSA-N 1 0 388.921 1.312 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)n1 ZINC000850821238 655568808 /nfs/dbraw/zinc/56/88/08/655568808.db2.gz JAZQPFQXVMZXLS-VIFPVBQESA-N 1 0 382.877 1.251 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)CC[C@H]1[NH3+] ZINC000850821933 655568867 /nfs/dbraw/zinc/56/88/67/655568867.db2.gz CGYVDZHFSKQBEY-DTWKUNHWSA-N 1 0 382.877 1.331 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000850824374 655569056 /nfs/dbraw/zinc/56/90/56/655569056.db2.gz SLJBABBRZNMJCP-BDAKNGLRSA-N 1 0 382.877 1.522 20 0 GDADRO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCn3ncc(Br)c3C2)c1 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CCN(C(=O)c1ccc(-n2cc(Br)cn2)nn1)[C@@H]1CC[N@H+](CC)C1 ZINC000855490525 655695245 /nfs/dbraw/zinc/69/52/45/655695245.db2.gz IKSOXJJOUOXRMB-CYBMUJFWSA-N 1 0 393.289 1.981 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855695647 655699574 /nfs/dbraw/zinc/69/95/74/655699574.db2.gz PQZSZLQVSCVVMT-OAHLLOKOSA-N 1 0 390.311 1.895 20 0 GDADRO O=C(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Br)s1 ZINC000856257710 655711043 /nfs/dbraw/zinc/71/10/43/655711043.db2.gz XVZMMUAOEUXSRR-LLVKDONJSA-N 1 0 387.299 1.751 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1Cl ZINC000856476494 655713876 /nfs/dbraw/zinc/71/38/76/655713876.db2.gz XPCVWGXMRJKNMK-ZDUSSCGKSA-N 1 0 385.917 1.839 20 0 GDADRO COC(=O)[C@]12C[N@H+](Cc3cc(OC)ncc3Br)C[C@H]1COCC2 ZINC000856740153 655716111 /nfs/dbraw/zinc/71/61/11/655716111.db2.gz UFTPEDMTDMXGDF-BLLLJJGKSA-N 1 0 385.258 1.864 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)sc1Br ZINC000857008447 655725468 /nfs/dbraw/zinc/72/54/68/655725468.db2.gz JMYZUJRQEVHXPH-MADCSZMMSA-N 1 0 394.316 1.111 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000857115712 655728047 /nfs/dbraw/zinc/72/80/47/655728047.db2.gz QGMHEBSXVWHGSK-LBPRGKRZSA-N 1 0 383.290 1.654 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000857182978 655730125 /nfs/dbraw/zinc/73/01/25/655730125.db2.gz AEGRURLCGGNJHK-CQSZACIVSA-N 1 0 382.404 1.413 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccnc2I)C1 ZINC000857193191 655730388 /nfs/dbraw/zinc/73/03/88/655730388.db2.gz OALJHJOZOFFGPG-CQSZACIVSA-N 1 0 389.237 1.215 20 0 GDADRO Cn1cc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c(Br)n1 ZINC000858105150 655744474 /nfs/dbraw/zinc/74/44/74/655744474.db2.gz ABLARDNQYMOHCX-CQSZACIVSA-N 1 0 375.336 1.480 20 0 GDADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000858281251 655746668 /nfs/dbraw/zinc/74/66/68/655746668.db2.gz GPKSDXHOPLBCOD-LBPRGKRZSA-N 1 0 390.527 1.877 20 0 GDADRO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000858572455 655749419 /nfs/dbraw/zinc/74/94/19/655749419.db2.gz TZNUMOYBAKYLBJ-CYBMUJFWSA-N 1 0 378.539 1.150 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858608471 655750060 /nfs/dbraw/zinc/75/00/60/655750060.db2.gz JTSRWVCYZDFDCM-MFKMUULPSA-N 1 0 379.404 1.983 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1)C(F)(F)F ZINC000858612608 655750350 /nfs/dbraw/zinc/75/03/50/655750350.db2.gz YEIWWRXMQLRXMR-AWEZNQCLSA-N 1 0 377.388 1.562 20 0 GDADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858614682 655750462 /nfs/dbraw/zinc/75/04/62/655750462.db2.gz ACHNBCHTIHTRGN-SECBINFHSA-N 1 0 393.309 1.698 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)s1 ZINC000858616554 655750609 /nfs/dbraw/zinc/75/06/09/655750609.db2.gz SQMWNXFINPMFEI-ZDUSSCGKSA-N 1 0 375.516 1.265 20 0 GDADRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000858616811 655750647 /nfs/dbraw/zinc/75/06/47/655750647.db2.gz UYAIYLJNYHRODM-ZDUSSCGKSA-N 1 0 379.404 1.806 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)C[C@H](C)[NH3+])c(Br)cc1Cl ZINC000858641411 655751920 /nfs/dbraw/zinc/75/19/20/655751920.db2.gz GFIIECDKULXAJH-ZETCQYMHSA-N 1 0 399.694 1.857 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)nc1F ZINC000858961578 655757492 /nfs/dbraw/zinc/75/74/92/655757492.db2.gz QMJZZUYAQRVUDE-JTQLQIEISA-N 1 0 378.267 1.746 20 0 GDADRO C[C@H](C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F)CS(C)(=O)=O ZINC000860049143 655794142 /nfs/dbraw/zinc/79/41/42/655794142.db2.gz AVQVMLUHJCVHFE-BJJPWKGXSA-N 1 0 382.448 1.398 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@H]2C[C@]2(C)Br)C1 ZINC000860117638 655795641 /nfs/dbraw/zinc/79/56/41/655795641.db2.gz WTGIHXYYKXQJJD-IOASZLSFSA-N 1 0 391.306 1.176 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000860193204 655796242 /nfs/dbraw/zinc/79/62/42/655796242.db2.gz DIWBNDKYUBKUBH-HUUCEWRRSA-N 1 0 375.535 1.505 20 0 GDADRO O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)OCC[NH+]1CCC1 ZINC000861386042 655820725 /nfs/dbraw/zinc/82/07/25/655820725.db2.gz IXPNDQSBOITJGB-UHFFFAOYSA-N 1 0 381.226 1.684 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CCOCC1 ZINC000861515098 655824088 /nfs/dbraw/zinc/82/40/88/655824088.db2.gz OMWJEJBGKODIIS-UHFFFAOYSA-N 1 0 377.388 1.861 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc1Cl ZINC000861541771 655825427 /nfs/dbraw/zinc/82/54/27/655825427.db2.gz HPCUTGUUBDSDED-VIFPVBQESA-N 1 0 378.256 1.763 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000861542879 655825546 /nfs/dbraw/zinc/82/55/46/655825546.db2.gz UXDQVGKAQDZLJQ-SSDOTTSWSA-N 1 0 395.628 1.689 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1 ZINC000861544159 655825687 /nfs/dbraw/zinc/82/56/87/655825687.db2.gz LBSWSKVKRCNWTC-SECBINFHSA-N 1 0 375.210 1.344 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cnc(Cl)c1Br ZINC000861544334 655825705 /nfs/dbraw/zinc/82/57/05/655825705.db2.gz KBKSWMKPFIGORL-JGVFFNPUSA-N 1 0 375.654 1.611 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000861772008 655830362 /nfs/dbraw/zinc/83/03/62/655830362.db2.gz NEAIVDBEVDZQTI-OTYXRUKQSA-N 1 0 386.265 1.961 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cnc1Br ZINC000862030924 655836963 /nfs/dbraw/zinc/83/69/63/655836963.db2.gz AZYHDIHXASMRFJ-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862290148 655843948 /nfs/dbraw/zinc/84/39/48/655843948.db2.gz OVMMNDHTDMIQDJ-DZGCQCFKSA-N 1 0 376.519 1.425 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000862550955 655847214 /nfs/dbraw/zinc/84/72/14/655847214.db2.gz HTBZEBSBHSEASO-AWEZNQCLSA-N 1 0 375.535 1.553 20 0 GDADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000863321975 655865909 /nfs/dbraw/zinc/86/59/09/655865909.db2.gz KPTUCYXQUJYQRG-CQSZACIVSA-N 1 0 393.285 1.740 20 0 GDADRO C[C@H]([NH3+])CN(C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000863566837 655875954 /nfs/dbraw/zinc/87/59/54/655875954.db2.gz RHBCHFSSZKJNPE-NSHDSACASA-N 1 0 376.910 1.198 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000863754729 655879874 /nfs/dbraw/zinc/87/98/74/655879874.db2.gz VIDRBGSEKQIUSW-RISCZKNCSA-N 1 0 384.274 1.155 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)c2cc(I)nn2C)CC1 ZINC000864061201 655888441 /nfs/dbraw/zinc/88/84/41/655888441.db2.gz BJWCDFFEBPSWKZ-UHFFFAOYSA-N 1 0 390.269 1.971 20 0 GDADRO C[C@H](CNC(=O)c1cc(I)nn1C)C[NH+]1CCCCC1 ZINC000864946362 655908795 /nfs/dbraw/zinc/90/87/95/655908795.db2.gz VJXGMYMYARSLDN-LLVKDONJSA-N 1 0 390.269 1.877 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000865266909 655915684 /nfs/dbraw/zinc/91/56/84/655915684.db2.gz AKZXQMNNJBWVFT-CZUORRHYSA-N 1 0 382.555 1.660 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000865439099 655919819 /nfs/dbraw/zinc/91/98/19/655919819.db2.gz OGZCXADHFXBMEZ-UHFFFAOYSA-N 1 0 392.319 1.614 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(c2nc(-c3ccc(Br)cc3)no2)CC1 ZINC000865438135 655919826 /nfs/dbraw/zinc/91/98/26/655919826.db2.gz MKPLTTPIZCOUHE-UHFFFAOYSA-N 1 0 394.273 1.709 20 0 GDADRO CN(CC1CC[NH+](C)CC1)c1ccc(Br)cc1S(N)(=O)=O ZINC000865508663 655920863 /nfs/dbraw/zinc/92/08/63/655920863.db2.gz QDCSIZPUVUMRNQ-UHFFFAOYSA-N 1 0 376.320 1.875 20 0 GDADRO Cc1ccnc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1Br ZINC000865522915 655921212 /nfs/dbraw/zinc/92/12/12/655921212.db2.gz WKYDKZVPVTVKRI-SWLSCSKDSA-N 1 0 389.315 1.978 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000865555648 655921845 /nfs/dbraw/zinc/92/18/45/655921845.db2.gz GCHYSUKVWIYXGV-ZNMIVQPWSA-N 1 0 375.535 1.693 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000865624582 655923131 /nfs/dbraw/zinc/92/31/31/655923131.db2.gz MLUQGCMNYOXXBP-GARJFASQSA-N 1 0 390.424 1.234 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000865624588 655923140 /nfs/dbraw/zinc/92/31/40/655923140.db2.gz MLUQGCMNYOXXBP-OUAUKWLOSA-N 1 0 390.424 1.234 20 0 GDADRO COc1cc(C[NH2+]C[C@]23COC(=O)N2CCOC3)c(F)cc1Br ZINC000865769650 655926193 /nfs/dbraw/zinc/92/61/93/655926193.db2.gz CLUCWZQDDHVZJR-HNNXBMFYSA-N 1 0 389.221 1.908 20 0 GDADRO COc1sc(C[NH2+]C[C@@]23COCCN2C(=O)COC3)cc1Br ZINC000865797442 655927088 /nfs/dbraw/zinc/92/70/88/655927088.db2.gz HYJBKTJPTLUOGV-AWEZNQCLSA-N 1 0 391.287 1.237 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(I)nn1C ZINC000865894583 655929355 /nfs/dbraw/zinc/92/93/55/655929355.db2.gz NZOZVOBCAYUISA-SNVBAGLBSA-N 1 0 376.242 1.439 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000866054693 655933837 /nfs/dbraw/zinc/93/38/37/655933837.db2.gz HGXPPZXWTHKYJX-INIZCTEOSA-N 1 0 383.290 1.645 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(c3cnn(-c4ccccn4)c(=O)c3Br)CC[C@H]21 ZINC000866205745 655936066 /nfs/dbraw/zinc/93/60/66/655936066.db2.gz ACYOUTBQERHXEW-QWHCGFSZSA-N 1 0 390.285 1.920 20 0 GDADRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncc(I)cn1 ZINC000866256426 655936646 /nfs/dbraw/zinc/93/66/46/655936646.db2.gz PPHIDQWFIQOIAF-UHFFFAOYSA-N 1 0 388.253 1.630 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000866366608 655938514 /nfs/dbraw/zinc/93/85/14/655938514.db2.gz QTZCSNBHIVAVSC-ZJUUUORDSA-N 1 0 376.242 1.627 20 0 GDADRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(Br)ccc1F ZINC000866555807 655949455 /nfs/dbraw/zinc/94/94/55/655949455.db2.gz NZLSLAQGUXHTSW-BDJLRTHQSA-N 1 0 387.249 1.867 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCN(CCC(C)(C)C)CC2)c1Br ZINC000866572413 655950075 /nfs/dbraw/zinc/95/00/75/655950075.db2.gz BFDHTPPCMQVMNA-UHFFFAOYSA-N 1 0 393.351 1.925 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000866578508 655950339 /nfs/dbraw/zinc/95/03/39/655950339.db2.gz LJKORBMLFUDNMF-LLVKDONJSA-N 1 0 383.495 1.731 20 0 GDADRO C[C@@H](NS(=O)(=O)CCC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000866695347 655954922 /nfs/dbraw/zinc/95/49/22/655954922.db2.gz VIAQJOZMGPYWLX-CABCVRRESA-N 1 0 377.551 1.893 20 0 GDADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1cn(C)nc1Br ZINC000866734128 655957338 /nfs/dbraw/zinc/95/73/38/655957338.db2.gz BIVJNGYJMDHXQW-SNVBAGLBSA-N 1 0 389.275 1.170 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CCO1 ZINC000866742683 655958163 /nfs/dbraw/zinc/95/81/63/655958163.db2.gz BZGUYBJTWCIZEX-SKDRFNHKSA-N 1 0 389.271 1.932 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000866743701 655958175 /nfs/dbraw/zinc/95/81/75/655958175.db2.gz YYVDINJJTWXQLQ-IINYFYTJSA-N 1 0 393.303 1.336 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1Br ZINC000866760353 655959768 /nfs/dbraw/zinc/95/97/68/655959768.db2.gz BTGPGHNRRPGWFE-NSHDSACASA-N 1 0 377.308 1.335 20 0 GDADRO Cn1cc(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)c(Br)n1 ZINC000866764263 655960265 /nfs/dbraw/zinc/96/02/65/655960265.db2.gz MARJITCWERDQOC-GFCCVEGCSA-N 1 0 385.287 1.348 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000866765891 655960528 /nfs/dbraw/zinc/96/05/28/655960528.db2.gz DAPDKPVKKWJVCP-BXUZGUMPSA-N 1 0 389.315 1.971 20 0 GDADRO O=S(=O)(N=S1(=O)CCCC1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000866766893 655960694 /nfs/dbraw/zinc/96/06/94/655960694.db2.gz CZVWSXBCDYLEJP-ZBFHGGJFSA-N 1 0 389.518 1.615 20 0 GDADRO C[C@H]1CC2(CN1S(=O)(=O)c1cnn(C)c1Br)CC[NH2+]CC2 ZINC000866774355 655961845 /nfs/dbraw/zinc/96/18/45/655961845.db2.gz OXQDADNHYGUYOS-JTQLQIEISA-N 1 0 377.308 1.335 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000866791323 655964000 /nfs/dbraw/zinc/96/40/00/655964000.db2.gz YTLSTUKXBSJOSA-NXEZZACHSA-N 1 0 386.417 1.195 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1F ZINC000866797053 655964671 /nfs/dbraw/zinc/96/46/71/655964671.db2.gz ONWVFHBHKXBQDQ-JTQLQIEISA-N 1 0 376.425 1.808 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1OC ZINC000866805581 655965760 /nfs/dbraw/zinc/96/57/60/655965760.db2.gz OUKDYXCBDTUDFN-DTORHVGOSA-N 1 0 379.276 1.482 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000866809320 655966119 /nfs/dbraw/zinc/96/61/19/655966119.db2.gz HWQXBKYVDSGPKP-SNVBAGLBSA-N 1 0 379.404 1.854 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866814389 655966396 /nfs/dbraw/zinc/96/63/96/655966396.db2.gz BWKWJMJIVUAQBZ-KRWDZBQOSA-N 1 0 388.555 1.866 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Cl)c1 ZINC000866816945 655966629 /nfs/dbraw/zinc/96/66/29/655966629.db2.gz GXQZVQRHGOADFH-BNOWGMLFSA-N 1 0 385.873 1.204 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(Cl)s1 ZINC000866819417 655966953 /nfs/dbraw/zinc/96/69/53/655966953.db2.gz GDMKUGPJTDTKCA-ZJUUUORDSA-N 1 0 398.959 1.568 20 0 GDADRO COC[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000866820195 655966957 /nfs/dbraw/zinc/96/69/57/655966957.db2.gz QADPFFZZUISYGY-UONOGXRCSA-N 1 0 393.303 1.044 20 0 GDADRO COCCC1(NS(=O)(=O)c2cncc(Br)c2)CC[NH2+]CC1 ZINC000866820379 655967043 /nfs/dbraw/zinc/96/70/43/655967043.db2.gz GSSCNYVEHJOEJG-UHFFFAOYSA-N 1 0 378.292 1.281 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1Cl ZINC000866823136 655967238 /nfs/dbraw/zinc/96/72/38/655967238.db2.gz FQQFSAPFYXIOIS-QWHCGFSZSA-N 1 0 378.903 1.259 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866824288 655967309 /nfs/dbraw/zinc/96/73/09/655967309.db2.gz LDQUQAIHQKFIGK-OCCSQVGLSA-N 1 0 387.889 1.822 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)c(Cl)cc21 ZINC000866824879 655967346 /nfs/dbraw/zinc/96/73/46/655967346.db2.gz VHYQZQZKTXNVBH-HUUCEWRRSA-N 1 0 383.901 1.764 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866827961 655967669 /nfs/dbraw/zinc/96/76/69/655967669.db2.gz UGCSVRQBLZJTKQ-KBPBESRZSA-N 1 0 392.930 1.400 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1cc2nc(Cl)ncc2s1 ZINC000866833548 655968300 /nfs/dbraw/zinc/96/83/00/655968300.db2.gz SAUGXGUDTSEDAS-UHFFFAOYSA-N 1 0 390.918 1.470 20 0 GDADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000866865032 655971693 /nfs/dbraw/zinc/97/16/93/655971693.db2.gz ZMACSFTZHZNGIG-UHFFFAOYSA-N 1 0 379.324 1.915 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866904708 655975544 /nfs/dbraw/zinc/97/55/44/655975544.db2.gz KUENJHNORDYFGB-NSHDSACASA-N 1 0 395.323 1.294 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc3onc(Cl)c3c2)CC1 ZINC000866918068 655977060 /nfs/dbraw/zinc/97/70/60/655977060.db2.gz VFONFAZMTNEHNP-UHFFFAOYSA-N 1 0 386.905 1.786 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000866989550 655984635 /nfs/dbraw/zinc/98/46/35/655984635.db2.gz FJOOTYSLYRRUTL-UHFFFAOYSA-N 1 0 394.607 1.229 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)nc1F ZINC000866996011 655985520 /nfs/dbraw/zinc/98/55/20/655985520.db2.gz MSSRDIXRLXZYBS-IJLUTSLNSA-N 1 0 377.869 1.746 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000867093235 655994472 /nfs/dbraw/zinc/99/44/72/655994472.db2.gz NRPWTGNIOFEWDX-QGZVFWFLSA-N 1 0 377.551 1.895 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cn(C)nc2C(C)(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000867124867 655998970 /nfs/dbraw/zinc/99/89/70/655998970.db2.gz QBFLKFRBTFHNAX-UONOGXRCSA-N 1 0 386.587 1.918 20 0 GDADRO CCOC(=O)N1CCC[C@@H]([C@@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000867127972 655999640 /nfs/dbraw/zinc/99/96/40/655999640.db2.gz YURMNVORUGXAOG-HZPDHXFCSA-N 1 0 375.535 1.649 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000867145700 656002007 /nfs/dbraw/zinc/00/20/07/656002007.db2.gz FXCPHERUCCBCME-HNNXBMFYSA-N 1 0 377.551 1.749 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000867213517 656014862 /nfs/dbraw/zinc/01/48/62/656014862.db2.gz MWOYKNXYMAMZBS-UHFFFAOYSA-N 1 0 375.535 1.815 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000867439391 656061185 /nfs/dbraw/zinc/06/11/85/656061185.db2.gz RJUQZIWSEXXJGM-UHFFFAOYSA-N 1 0 381.267 1.969 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NCC2([NH+](C)C)CC2)c1 ZINC000867439023 656061272 /nfs/dbraw/zinc/06/12/72/656061272.db2.gz MNAAIZNRYOXLPF-UHFFFAOYSA-N 1 0 391.287 1.608 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000867530737 656078632 /nfs/dbraw/zinc/07/86/32/656078632.db2.gz CGWGKRAFZUNCAA-INIZCTEOSA-N 1 0 385.555 1.851 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CCO1 ZINC000867537184 656080312 /nfs/dbraw/zinc/08/03/12/656080312.db2.gz DALKSZZHCOZASZ-OWJWWREXSA-N 1 0 389.543 1.431 20 0 GDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2[O-])C[C@H]1C[NH+](C)C ZINC000867589046 656089146 /nfs/dbraw/zinc/08/91/46/656089146.db2.gz CXYHOUYBYJQMPJ-CHWSQXEVSA-N 1 0 375.922 1.406 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000867601027 656091808 /nfs/dbraw/zinc/09/18/08/656091808.db2.gz GXDQENWYQQVPTJ-JKSUJKDBSA-N 1 0 381.567 1.850 20 0 GDADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC2)CC1 ZINC000867620082 656094568 /nfs/dbraw/zinc/09/45/68/656094568.db2.gz MDXBYXHCXROXPD-UHFFFAOYSA-N 1 0 386.539 1.587 20 0 GDADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867624811 656095116 /nfs/dbraw/zinc/09/51/16/656095116.db2.gz RNBSDJXEJYMVLP-UHFFFAOYSA-N 1 0 383.290 1.405 20 0 GDADRO CC(C)[NH+]1CCC(CCNS(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000867651967 656099233 /nfs/dbraw/zinc/09/92/33/656099233.db2.gz KEQATJJVXNCEGM-UHFFFAOYSA-N 1 0 393.351 1.971 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCc3csc(C(F)(F)F)c3)CC[C@@H]21 ZINC000867798824 656117875 /nfs/dbraw/zinc/11/78/75/656117875.db2.gz HWCQGSBLWNLTNP-RYUDHWBXSA-N 1 0 375.416 1.936 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(F)cc1Cl ZINC000867808506 656119688 /nfs/dbraw/zinc/11/96/88/656119688.db2.gz NSPFASKQOUSXBE-QMTHXVAHSA-N 1 0 390.864 1.980 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(OCC(F)(F)F)nc3)CC[C@H]21 ZINC000867811570 656120065 /nfs/dbraw/zinc/12/00/65/656120065.db2.gz DANIUDDXRRAXKB-WCQYABFASA-N 1 0 379.404 1.737 20 0 GDADRO Cc1nc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)sc1Br ZINC000867813286 656120368 /nfs/dbraw/zinc/12/03/68/656120368.db2.gz UMXFFCQHPPXZPZ-UWVGGRQHSA-N 1 0 380.333 1.929 20 0 GDADRO CC(=O)N[C@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000867983215 656137089 /nfs/dbraw/zinc/13/70/89/656137089.db2.gz MUCFATOBHORKHU-QWRGUYRKSA-N 1 0 382.180 1.632 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000868051771 656138652 /nfs/dbraw/zinc/13/86/52/656138652.db2.gz KPVDCGAAXCWDAX-LBPRGKRZSA-N 1 0 390.269 1.939 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)cn2ccnc12 ZINC000868089280 656140310 /nfs/dbraw/zinc/14/03/10/656140310.db2.gz OCIMSWLFVUZBLA-ZDUSSCGKSA-N 1 0 378.274 1.217 20 0 GDADRO O=C(Nc1cccnc1Br)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868133509 656141662 /nfs/dbraw/zinc/14/16/62/656141662.db2.gz AOTBDVVWWQVWSV-JLLWLGSASA-N 1 0 396.245 1.243 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000868249079 656146175 /nfs/dbraw/zinc/14/61/75/656146175.db2.gz IZBGSYDLDUUKEL-TXEJJXNPSA-N 1 0 382.258 1.749 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868257460 656146926 /nfs/dbraw/zinc/14/69/26/656146926.db2.gz MIMGKEHXWIIHST-SSDOTTSWSA-N 1 0 393.079 1.956 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C[C@H]1C[NH3+] ZINC000868274355 656148075 /nfs/dbraw/zinc/14/80/75/656148075.db2.gz ZJFIYWVJQNCPGD-NXEZZACHSA-N 1 0 398.257 1.212 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000868294187 656149530 /nfs/dbraw/zinc/14/95/30/656149530.db2.gz JZDIIVGVHLKVDZ-LLVKDONJSA-N 1 0 383.290 1.985 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)C1 ZINC000868303836 656149994 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C[NH+](C)CCC[C@H]1CN(C(=O)Cn2ccc(Br)cc2=O)CCO1 ZINC000869314270 656190679 /nfs/dbraw/zinc/19/06/79/656190679.db2.gz OQHQBKMXLGJXEG-AWEZNQCLSA-N 1 0 386.290 1.180 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869780238 656207334 /nfs/dbraw/zinc/20/73/34/656207334.db2.gz FQRQRILUTDXULG-LBPRGKRZSA-N 1 0 385.306 1.485 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)CSc2n[n-]c(=S)s2)C[C@H]1C[NH+](C)C ZINC000870022226 656214439 /nfs/dbraw/zinc/21/44/39/656214439.db2.gz ZHDZJXGZHDLGEH-GHMZBOCLSA-N 1 0 375.589 1.117 20 0 GDADRO COCC[NH+]1CCC(OC(=O)c2nn(C)cc2I)CC1 ZINC000870462361 656237201 /nfs/dbraw/zinc/23/72/01/656237201.db2.gz QQIIJTWLXGXSOV-UHFFFAOYSA-N 1 0 393.225 1.292 20 0 GDADRO Cc1[nH]nc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)c1Br ZINC000870668312 656243890 /nfs/dbraw/zinc/24/38/90/656243890.db2.gz WLDWEVHKBJVATC-UHFFFAOYSA-N 1 0 379.262 1.880 20 0 GDADRO [NH3+][C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000870853948 656250565 /nfs/dbraw/zinc/25/05/65/656250565.db2.gz JJSRDKVBHFQYJI-GJZGRUSLSA-N 1 0 396.285 1.299 20 0 GDADRO CC(C)n1ncc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1I ZINC000870913499 656254988 /nfs/dbraw/zinc/25/49/88/656254988.db2.gz VXOPBPSELXDTBE-VHSXEESVSA-N 1 0 376.242 1.891 20 0 GDADRO Cn1ccnc1N1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870931794 656256356 /nfs/dbraw/zinc/25/63/56/656256356.db2.gz NGXWSCLSBIUJGJ-HNNXBMFYSA-N 1 0 392.301 1.968 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1I ZINC000870942735 656257354 /nfs/dbraw/zinc/25/73/54/656257354.db2.gz TYPWIEDFVXXLLE-NXEZZACHSA-N 1 0 376.242 1.939 20 0 GDADRO CC(=O)N[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)c1cccc(Br)c1 ZINC000870945194 656258058 /nfs/dbraw/zinc/25/80/58/656258058.db2.gz PEQYHFYTDNHLQU-NEPJUHHUSA-N 1 0 378.217 1.725 20 0 GDADRO CC(C)n1ncc(C(=O)NCCC2(C[NH3+])CC2)c1I ZINC000870949601 656258868 /nfs/dbraw/zinc/25/88/68/656258868.db2.gz KIUKAUFHJXTHNW-UHFFFAOYSA-N 1 0 376.242 1.927 20 0 GDADRO CC(C)C[C@H](C[NH3+])CC(=O)NCc1c(I)cnn1C ZINC000871019737 656260297 /nfs/dbraw/zinc/26/02/97/656260297.db2.gz JPRPIRJMPKLYJF-JTQLQIEISA-N 1 0 378.258 1.652 20 0 GDADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1ncc(Br)s1 ZINC000871675535 656276228 /nfs/dbraw/zinc/27/62/28/656276228.db2.gz LEUGLWDYTYUSFA-UHFFFAOYSA-N 1 0 395.286 1.785 20 0 GDADRO FC(F)(F)Cn1nnnc1SCc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871796800 656279914 /nfs/dbraw/zinc/27/99/14/656279914.db2.gz LVWYBBMBJZVZTA-CBLAIPOGSA-N 1 0 375.380 1.909 20 0 GDADRO COc1cc(S(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cnc1Cl ZINC000871809722 656280858 /nfs/dbraw/zinc/28/08/58/656280858.db2.gz FPFKXQRRXAZRRA-NSHDSACASA-N 1 0 375.878 1.181 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(C(F)(F)F)nc1 ZINC000871810426 656281073 /nfs/dbraw/zinc/28/10/73/656281073.db2.gz LUJHRBAXAKWCQD-NSHDSACASA-N 1 0 379.404 1.537 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1sccc1Br ZINC000871810862 656281078 /nfs/dbraw/zinc/28/10/78/656281078.db2.gz QWFSRTVFDRIFIC-JTQLQIEISA-N 1 0 395.344 1.948 20 0 GDADRO O=S(=O)(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ncccc1Br ZINC000871811268 656281092 /nfs/dbraw/zinc/28/10/92/656281092.db2.gz NOWUNBZNXFBWMI-ZDUSSCGKSA-N 1 0 382.283 1.837 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cnc2c1Cl ZINC000871812702 656281700 /nfs/dbraw/zinc/28/17/00/656281700.db2.gz BTNKMNQUXHMWRP-SCZZXKLOSA-N 1 0 397.810 1.449 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1Br ZINC000871813835 656282239 /nfs/dbraw/zinc/28/22/39/656282239.db2.gz YVCMCMAACGEPAP-IINYFYTJSA-N 1 0 375.288 1.688 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC000871814023 656282523 /nfs/dbraw/zinc/28/25/23/656282523.db2.gz NWXXMQNFTPMFMP-IONNQARKSA-N 1 0 377.310 1.858 20 0 GDADRO COC(=O)Cc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000871814104 656282600 /nfs/dbraw/zinc/28/26/00/656282600.db2.gz PEWZXJXCCNDVTB-AAEUAGOBSA-N 1 0 380.388 1.160 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Br)o2)C[C@@H]1C(F)(F)F ZINC000871814255 656282610 /nfs/dbraw/zinc/28/26/10/656282610.db2.gz RLBBOTALTRIOEI-BQBZGAKWSA-N 1 0 377.182 1.800 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871814400 656282906 /nfs/dbraw/zinc/28/29/06/656282906.db2.gz UBVILQKOTRECPB-RKDXNWHRSA-N 1 0 386.417 1.601 20 0 GDADRO Cn1ncc(S(=O)(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)c1Br ZINC000871817331 656283485 /nfs/dbraw/zinc/28/34/85/656283485.db2.gz BGEGOCXJFSKXAA-GFCCVEGCSA-N 1 0 391.335 1.773 20 0 GDADRO O=C1N[C@H](Cc2cncs2)C(=O)N1CC1([NH+]2CCSCC2)CCCC1 ZINC000871893008 656289727 /nfs/dbraw/zinc/28/97/27/656289727.db2.gz AMWBFWLEWVNARA-CQSZACIVSA-N 1 0 380.539 1.968 20 0 GDADRO CN(Cc1ccccc1Cl)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872185121 656319437 /nfs/dbraw/zinc/31/94/37/656319437.db2.gz HJLMRRJILCFYBE-NEPJUHHUSA-N 1 0 377.794 1.894 20 0 GDADRO COC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000872236480 656320877 /nfs/dbraw/zinc/32/08/77/656320877.db2.gz OFWRUUUHWXJXIQ-CQSZACIVSA-N 1 0 392.315 1.666 20 0 GDADRO O[C@H](C[NH2+][C@@H]1COc2cccc(Br)c2C1)CC1(O)CCOCC1 ZINC000872235525 656320909 /nfs/dbraw/zinc/32/09/09/656320909.db2.gz VEAJKLSORDRBRZ-STQMWFEESA-N 1 0 386.286 1.635 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1 ZINC000872248384 656321437 /nfs/dbraw/zinc/32/14/37/656321437.db2.gz RVJKOVSCZGURFY-CYBMUJFWSA-N 1 0 377.388 1.629 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000872308225 656322595 /nfs/dbraw/zinc/32/25/95/656322595.db2.gz CWVNPNDNDBALDO-PUKHHJTISA-N 1 0 378.270 1.798 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000872375840 656324630 /nfs/dbraw/zinc/32/46/30/656324630.db2.gz UZJQQAHBXRPGHM-UHFFFAOYSA-N 1 0 381.495 1.931 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872453702 656332176 /nfs/dbraw/zinc/33/21/76/656332176.db2.gz OIWWYWAMXRWIGR-UHFFFAOYSA-N 1 0 384.420 1.325 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872462309 656334105 /nfs/dbraw/zinc/33/41/05/656334105.db2.gz BHXJQMTVJPJFIV-DPTDYUCPSA-N 1 0 381.564 1.311 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000872466604 656335430 /nfs/dbraw/zinc/33/54/30/656335430.db2.gz CTAGPUVJGTZEOX-JPMUSVJPSA-N 1 0 394.607 1.085 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)NCCOC(F)(F)C(F)(F)F)C[C@H](C)O1 ZINC000872812709 656378804 /nfs/dbraw/zinc/37/88/04/656378804.db2.gz DJBKWVBMUGTRSX-QWRGUYRKSA-N 1 0 377.354 1.957 20 0 GDADRO CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)n1 ZINC000873105747 656386382 /nfs/dbraw/zinc/38/63/82/656386382.db2.gz BKONPUOVXDUVLK-RKDXNWHRSA-N 1 0 378.420 1.975 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H]1C(F)(F)F ZINC000873106980 656386607 /nfs/dbraw/zinc/38/66/07/656386607.db2.gz LGQJBWFBSQWMRM-CBAPKCEASA-N 1 0 395.179 1.378 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000873107168 656386665 /nfs/dbraw/zinc/38/66/65/656386665.db2.gz KWVSCKZSIWYHST-MGPLVRAMSA-N 1 0 382.258 1.464 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2nc(C3CCC3)cs2)C[C@@H]1C(F)(F)F ZINC000873106683 656386689 /nfs/dbraw/zinc/38/66/89/656386689.db2.gz JPWGXDHGXYIDIS-ZJUUUORDSA-N 1 0 376.404 1.945 20 0 GDADRO CC(C)(C)c1cnc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)s1 ZINC000873108370 656387117 /nfs/dbraw/zinc/38/71/17/656387117.db2.gz XQXSEMUEKVMSMJ-BDAKNGLRSA-N 1 0 378.420 1.975 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873695776 656404232 /nfs/dbraw/zinc/40/42/32/656404232.db2.gz KMXCZAFAXVWRJD-SNVBAGLBSA-N 1 0 384.274 1.779 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2)C1CC1 ZINC000873717029 656406193 /nfs/dbraw/zinc/40/61/93/656406193.db2.gz VXSYQAGGVDRPPP-ZDUSSCGKSA-N 1 0 396.285 1.779 20 0 GDADRO CCc1ccc(Br)c(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000873779066 656414100 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CS(=O)(=O)Nc1cccc(CC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877368268 656671443 /nfs/dbraw/zinc/67/14/43/656671443.db2.gz PTAXCDXCBQRIAN-WCQYABFASA-N 1 0 379.404 1.196 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877385424 656672689 /nfs/dbraw/zinc/67/26/89/656672689.db2.gz CCGBFTNAAXSWMP-SWLSCSKDSA-N 1 0 392.308 1.673 20 0 GDADRO O=S(=O)(c1ccc2c(c1)OCCO2)N1CC([NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877425293 656674586 /nfs/dbraw/zinc/67/45/86/656674586.db2.gz FSMUEXHOMKWHNT-SNVBAGLBSA-N 1 0 393.292 1.614 20 0 GDADRO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1CCCCn1cc(Br)cn1 ZINC000924866650 656683558 /nfs/dbraw/zinc/68/35/58/656683558.db2.gz UBDYHHNPXIVGDV-CQSZACIVSA-N 1 0 398.305 1.832 20 0 GDADRO O[C@@H]1CC[N@@H+](C2CN(Cc3cccc(F)c3I)C2)C1 ZINC000877612369 656683796 /nfs/dbraw/zinc/68/37/96/656683796.db2.gz OSAHKEVZMFHJKS-GFCCVEGCSA-N 1 0 376.213 1.681 20 0 GDADRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)c1c(F)cccc1I ZINC000924985976 656689524 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1.858 20 0 GDADRO O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)N1CC[NH+](CC2CC2)CC1 ZINC000878326447 656718736 /nfs/dbraw/zinc/71/87/36/656718736.db2.gz SNRCVDKGBXYNCT-CQSZACIVSA-N 1 0 383.539 1.142 20 0 GDADRO C[C@H](CNC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)[NH+]1CCCCC1 ZINC000878353366 656721008 /nfs/dbraw/zinc/72/10/08/656721008.db2.gz XELPXQQRLPMWLE-KGLIPLIRSA-N 1 0 385.555 1.578 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000926048017 656732035 /nfs/dbraw/zinc/73/20/35/656732035.db2.gz ZEPQEAFIFAITIM-ZWNOBZJWSA-N 1 0 375.878 1.493 20 0 GDADRO Cn1cc(NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc(Br)c1=O ZINC000926064759 656733140 /nfs/dbraw/zinc/73/31/40/656733140.db2.gz NGWPPEDSHCIYEP-LBPRGKRZSA-N 1 0 399.289 1.428 20 0 GDADRO O=C(Nc1ccncc1I)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926086067 656734732 /nfs/dbraw/zinc/73/47/32/656734732.db2.gz GCPMQGQBIJLFCK-CQSZACIVSA-N 1 0 386.237 1.858 20 0 GDADRO COc1cc(NC(=O)N2CCC[C@]([NH3+])(CO)C2)cc(OC)c1Br ZINC000926085228 656734773 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/nfs/dbraw/zinc/10/77/00/657107700.db2.gz GIJUPFAPYVYQSL-OKILXGFUSA-N 1 0 375.250 1.941 20 0 GDADRO CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000931612953 657111768 /nfs/dbraw/zinc/11/17/68/657111768.db2.gz LRZHUZQTAXVVOK-GFCCVEGCSA-N 1 0 376.404 1.270 20 0 GDADRO COC1(OC)CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1O ZINC000931644550 657116269 /nfs/dbraw/zinc/11/62/69/657116269.db2.gz GRWSZXCGURTNAQ-HIFRSBDPSA-N 1 0 390.274 1.245 20 0 GDADRO C[C@@H]([NH2+][C@H]1C(=O)NCC1(C)C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000931664457 657119395 /nfs/dbraw/zinc/11/93/95/657119395.db2.gz ROMWXNTXGWWGQX-RISCZKNCSA-N 1 0 382.302 1.910 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(OC)ns1 ZINC000882469059 657127084 /nfs/dbraw/zinc/12/70/84/657127084.db2.gz VUCWCZUFMZKGFC-UHFFFAOYSA-N 1 0 377.532 1.272 20 0 GDADRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1 ZINC000882476536 657129677 /nfs/dbraw/zinc/12/96/77/657129677.db2.gz BKHVMTZEWMYQCS-ZBFHGGJFSA-N 1 0 385.555 1.297 20 0 GDADRO CC[N@@H+]1CC[C@H]1CNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000882481075 657131617 /nfs/dbraw/zinc/13/16/17/657131617.db2.gz FFUOSNKMCBHPCF-ZDUSSCGKSA-N 1 0 393.285 1.760 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCC(C)([NH+]3CCC3)CC2)cs1)C(N)=O ZINC000882498518 657134552 /nfs/dbraw/zinc/13/45/52/657134552.db2.gz VZUMOIIPOXOQQH-LBPRGKRZSA-N 1 0 382.555 1.738 20 0 GDADRO Cn1cc(I)c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000882510116 657138478 /nfs/dbraw/zinc/13/84/78/657138478.db2.gz IQDGJGONHIXONB-UHFFFAOYSA-N 1 0 388.253 1.725 20 0 GDADRO C[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000932260178 657167264 /nfs/dbraw/zinc/16/72/64/657167264.db2.gz CROVQLSRDLKPRN-AWEZNQCLSA-N 1 0 382.306 1.586 20 0 GDADRO O=C(CC[C@@H]1CC1(Cl)Cl)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882639042 657170850 /nfs/dbraw/zinc/17/08/50/657170850.db2.gz VPOQKLNFGVJOHG-CABCVRRESA-N 1 0 378.344 1.873 20 0 GDADRO C[C@@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000932493583 657191360 /nfs/dbraw/zinc/19/13/60/657191360.db2.gz IMNWIJQXCXUJEC-MFKMUULPSA-N 1 0 375.878 1.153 20 0 GDADRO Cc1cc(I)cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000932526215 657194071 /nfs/dbraw/zinc/19/40/71/657194071.db2.gz KRRQEHKDUSYSCW-CQSZACIVSA-N 1 0 387.265 1.575 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000932577867 657201112 /nfs/dbraw/zinc/20/11/12/657201112.db2.gz SFJIKANRXMBCOB-CYBMUJFWSA-N 1 0 384.322 1.721 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2cnn3cccc(Br)c23)CC1 ZINC000932704498 657211435 /nfs/dbraw/zinc/21/14/35/657211435.db2.gz VKPKIOQGOXZAAN-UHFFFAOYSA-N 1 0 380.290 1.464 20 0 GDADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932809859 657223774 /nfs/dbraw/zinc/22/37/74/657223774.db2.gz PKGLPVGGHJTARU-QGZVFWFLSA-N 1 0 399.285 1.412 20 0 GDADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc3c(c(Br)c1)OCO3)CC2 ZINC000932839366 657226949 /nfs/dbraw/zinc/22/69/49/657226949.db2.gz LOSNZJLOIKBZLX-GFCCVEGCSA-N 1 0 397.269 1.641 20 0 GDADRO COc1cc2[nH+]ccc(N3CC(O)(c4ncnn4C)C3)c2cc1Br ZINC000882886950 657256621 /nfs/dbraw/zinc/25/66/21/657256621.db2.gz SYQROHJGBSKGCH-UHFFFAOYSA-N 1 0 390.241 1.842 20 0 GDADRO COC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)[C@@H]1CCCOC1 ZINC000883233633 657278380 /nfs/dbraw/zinc/27/83/80/657278380.db2.gz NBJRRXYKPCBQJH-DOMZBBRYSA-N 1 0 386.290 1.605 20 0 GDADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]Cc1nnc2n1CCNC2=O ZINC000883294159 657280083 /nfs/dbraw/zinc/28/00/83/657280083.db2.gz QZAXSGVNXQAXKL-VIFPVBQESA-N 1 0 382.237 1.644 20 0 GDADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000933436502 657280119 /nfs/dbraw/zinc/28/01/19/657280119.db2.gz DPZZLLCMUVBOON-INIZCTEOSA-N 1 0 384.274 1.320 20 0 GDADRO C[NH+]1CCC(OCC(=O)NCc2nc3cc(Br)cnc3[nH]2)CC1 ZINC000933528735 657285403 /nfs/dbraw/zinc/28/54/03/657285403.db2.gz KQTQJXUHZBAFES-UHFFFAOYSA-N 1 0 382.262 1.447 20 0 GDADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000883469965 657288439 /nfs/dbraw/zinc/28/84/39/657288439.db2.gz HLCLJLCCSYDZKS-UHFFFAOYSA-N 1 0 379.404 1.715 20 0 GDADRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Br)c2)C[C@H]1CS(N)(=O)=O ZINC000933698837 657297872 /nfs/dbraw/zinc/29/78/72/657297872.db2.gz HQAHDJKBOOYTFI-OSMZGAPFSA-N 1 0 377.304 1.339 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)Nc1ccc(Br)cc1)C2 ZINC000883622021 657301748 /nfs/dbraw/zinc/30/17/48/657301748.db2.gz FRDCLEVAEQLXCA-UHFFFAOYSA-N 1 0 395.282 1.888 20 0 GDADRO C[C@@H]1CN(C(=O)NCc2nn(C)cc2Br)CCN1c1cc[nH+]cc1 ZINC000883676495 657305976 /nfs/dbraw/zinc/30/59/76/657305976.db2.gz OLGWRNJUDWBXOS-GFCCVEGCSA-N 1 0 393.289 1.998 20 0 GDADRO Cn1ncc(NC(=O)NCC2(C)CC[NH+](C)CC2)c1I ZINC000933735400 657307330 /nfs/dbraw/zinc/30/73/30/657307330.db2.gz JVKOAPZICROFQW-UHFFFAOYSA-N 1 0 391.257 1.878 20 0 GDADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1nn2c(c1Br)CCC2 ZINC000884021461 657321266 /nfs/dbraw/zinc/32/12/66/657321266.db2.gz BOTYKJFDDIZSTK-UHFFFAOYSA-N 1 0 391.273 1.649 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000884055814 657322420 /nfs/dbraw/zinc/32/24/20/657322420.db2.gz AIEGATKREPDJRX-ZDUSSCGKSA-N 1 0 385.917 1.419 20 0 GDADRO COCC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000884119448 657326911 /nfs/dbraw/zinc/32/69/11/657326911.db2.gz MMFGKXUPSKIWAU-AWEZNQCLSA-N 1 0 398.301 1.990 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1)C(N)=O ZINC000884238989 657339272 /nfs/dbraw/zinc/33/92/72/657339272.db2.gz LFMQHEAVHYMFBU-OUCADQQQSA-N 1 0 382.555 1.642 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CCC(CC[NH2+]C)CC2)cs1)C(N)=O ZINC000884242886 657339866 /nfs/dbraw/zinc/33/98/66/657339866.db2.gz MZWYYXYACXEGRC-CQSZACIVSA-N 1 0 384.571 1.890 20 0 GDADRO COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884316225 657345085 /nfs/dbraw/zinc/34/50/85/657345085.db2.gz MPEKAPARXZKWOH-MLGOLLRUSA-N 1 0 398.301 1.545 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCC(Cn2ccnn2)CC1)c1ccc(Br)cc1 ZINC000884329033 657347243 /nfs/dbraw/zinc/34/72/43/657347243.db2.gz DWYXVHZVTLLMSU-OAHLLOKOSA-N 1 0 378.274 1.979 20 0 GDADRO O=C(CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)Nc1ccc(Br)cn1 ZINC000934260499 657349254 /nfs/dbraw/zinc/34/92/54/657349254.db2.gz AHNMEOJHQXLGAU-UONOGXRCSA-N 1 0 383.290 1.314 20 0 GDADRO [NH3+][C@@H](C(=O)N1CC[C@@H](CN2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000884415393 657354620 /nfs/dbraw/zinc/35/46/20/657354620.db2.gz SJMCNSYQAJJIBR-BLLLJJGKSA-N 1 0 380.286 1.920 20 0 GDADRO C[NH2+]CCOc1cccc(C(=O)N2CCn3ncc(Br)c3C2)c1 ZINC000884416639 657355248 /nfs/dbraw/zinc/35/52/48/657355248.db2.gz IJTUIYKSFRAKGF-UHFFFAOYSA-N 1 0 379.258 1.900 20 0 GDADRO O=C(Nc1c(Br)cnn1C1CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000934366474 657356452 /nfs/dbraw/zinc/35/64/52/657356452.db2.gz BMWGBHWTCHBPPX-NSHDSACASA-N 1 0 386.294 1.949 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cs1)C(N)=O ZINC000884462790 657359009 /nfs/dbraw/zinc/35/90/09/657359009.db2.gz OOOVODIAJCZPQH-WCQYABFASA-N 1 0 384.571 1.936 20 0 GDADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000884491312 657361022 /nfs/dbraw/zinc/36/10/22/657361022.db2.gz RYSKJUJRUZJPDT-CQSZACIVSA-N 1 0 387.958 1.592 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884500419 657361357 /nfs/dbraw/zinc/36/13/57/657361357.db2.gz GOVAKACHLIOKNP-UHFFFAOYSA-N 1 0 380.286 1.810 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000884509958 657361727 /nfs/dbraw/zinc/36/17/27/657361727.db2.gz VKBSPRCGPHEEBB-GXFFZTMASA-N 1 0 386.265 1.585 20 0 GDADRO C[C@](CO)([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000934493733 657362930 /nfs/dbraw/zinc/36/29/30/657362930.db2.gz DJXJLLSDPHDJLW-SWLSCSKDSA-N 1 0 391.331 1.528 20 0 GDADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934497977 657364067 /nfs/dbraw/zinc/36/40/67/657364067.db2.gz UULFSODTSIBYOD-KRWDZBQOSA-N 1 0 395.301 1.638 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH2+][C@@](C)(CO)c2cccc(Br)c2)C[C@H](C)O1 ZINC000934499570 657364678 /nfs/dbraw/zinc/36/46/78/657364678.db2.gz VLIFVUXBTVIZND-AHIWAGSCSA-N 1 0 385.302 1.882 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)NCC1CC[NH2+]CC1)C2 ZINC000884675134 657370132 /nfs/dbraw/zinc/37/01/32/657370132.db2.gz SSFWDWYAUIAUQU-UHFFFAOYSA-N 1 0 394.313 1.758 20 0 GDADRO COC[C@@H](NC(=O)C(=O)NCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000884675158 657370244 /nfs/dbraw/zinc/37/02/44/657370244.db2.gz UASFSKJVUXOGIN-OAHLLOKOSA-N 1 0 398.301 1.369 20 0 GDADRO CSCC(C)(C)[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000934679633 657371570 /nfs/dbraw/zinc/37/15/70/657371570.db2.gz XMCKOQGOSKJAAF-CYBMUJFWSA-N 1 0 390.596 1.995 20 0 GDADRO COC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1cccc(Br)c1 ZINC000884701828 657373821 /nfs/dbraw/zinc/37/38/21/657373821.db2.gz PTNAOKZTQTZOBS-ZIAGYGMSSA-N 1 0 386.290 1.352 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1)C1CC1 ZINC000884706871 657374253 /nfs/dbraw/zinc/37/42/53/657374253.db2.gz QTEASBUTIVAHPW-CQSZACIVSA-N 1 0 380.286 1.450 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)CC[NH2+]1 ZINC000884717662 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O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H](c2nccs2)C1 ZINC000892108439 658296347 /nfs/dbraw/zinc/29/63/47/658296347.db2.gz SKJSOQMHPHBVPZ-NEPJUHHUSA-N 1 0 377.436 1.478 20 0 GDADRO Cc1ncc(I)c(NCCCN2CCC[N@@H+](C)CC2)n1 ZINC000892146533 658299171 /nfs/dbraw/zinc/29/91/71/658299171.db2.gz OOCQHOWSADBMBE-UHFFFAOYSA-N 1 0 389.285 1.829 20 0 GDADRO COC[C@@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1cccc(Br)c1 ZINC000892168095 658301629 /nfs/dbraw/zinc/30/16/29/658301629.db2.gz HJLAJZIFYBXUPP-HUUCEWRRSA-N 1 0 386.290 1.814 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ncc(Br)cc2O)CC1 ZINC000892175540 658301999 /nfs/dbraw/zinc/30/19/99/658301999.db2.gz NOAHSGSLGLHMLI-CQSZACIVSA-N 1 0 383.290 1.288 20 0 GDADRO CN1CCN(C(=O)NCCOc2cccc(Br)c2)CC[N@H+](C)CC1 ZINC000892229202 658311886 /nfs/dbraw/zinc/31/18/86/658311886.db2.gz SUKOBDNIGJWYKT-UHFFFAOYSA-N 1 0 399.333 1.717 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892280384 658315043 /nfs/dbraw/zinc/31/50/43/658315043.db2.gz 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C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903230152 659308151 /nfs/dbraw/zinc/30/81/51/659308151.db2.gz WGRZPSFZJIVHSA-LBPRGKRZSA-N 1 0 376.500 1.383 20 0 GDADRO CCOC(=O)[C@@](C)(NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C(F)(F)F ZINC000903230994 659308916 /nfs/dbraw/zinc/30/89/16/659308916.db2.gz HQHMUMQPXCPLHF-CQSZACIVSA-N 1 0 382.404 1.911 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cccc(S(N)(=O)=O)c1 ZINC000903477402 659315905 /nfs/dbraw/zinc/31/59/05/659315905.db2.gz AMFBQPNKOOIHHD-PWSUYJOCSA-N 1 0 399.314 1.959 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(S(=O)(=O)c3cc4ccccc4s3)C2)nn1 ZINC000903503446 659319538 /nfs/dbraw/zinc/31/95/38/659319538.db2.gz FGBLJWNPJQPNBF-CQSZACIVSA-N 1 0 377.495 1.977 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(I)s1 ZINC000903508176 659320457 /nfs/dbraw/zinc/32/04/57/659320457.db2.gz XUROLGGNSXFXIB-SFYZADRCSA-N 1 0 386.280 1.853 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903518505 659325972 /nfs/dbraw/zinc/32/59/72/659325972.db2.gz QPQXLWPVNFCVJQ-UWVGGRQHSA-N 1 0 391.287 1.677 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903521636 659327635 /nfs/dbraw/zinc/32/76/35/659327635.db2.gz FZSDXEUQGBXNSE-ZDUSSCGKSA-N 1 0 393.303 1.971 20 0 GDADRO C[C@]1(NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC[NH2+]C1 ZINC000903524845 659329202 /nfs/dbraw/zinc/32/92/02/659329202.db2.gz BOINOOUWXRTLHS-ZDUSSCGKSA-N 1 0 377.260 1.349 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903524945 659329583 /nfs/dbraw/zinc/32/95/83/659329583.db2.gz GHSLYKQUJVJWLQ-NWDGAFQWSA-N 1 0 391.287 1.738 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)c(F)cc1Br ZINC000903530027 659330886 /nfs/dbraw/zinc/33/08/86/659330886.db2.gz KQFHUSPTQMDTKX-RDDDGLTNSA-N 1 0 395.250 1.261 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2S(=O)(=O)Cc1ncsc1Br ZINC000903531860 659331157 /nfs/dbraw/zinc/33/11/57/659331157.db2.gz QGMGZCLICMLVCQ-CABZTGNLSA-N 1 0 380.333 1.939 20 0 GDADRO CS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903534006 659331902 /nfs/dbraw/zinc/33/19/02/659331902.db2.gz JNGKGSGLVPDKFP-QWHCGFSZSA-N 1 0 379.404 1.240 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903536114 659332472 /nfs/dbraw/zinc/33/24/72/659332472.db2.gz VQTNAYZWLKZBRL-KGLIPLIRSA-N 1 0 387.571 1.587 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000903543375 659335204 /nfs/dbraw/zinc/33/52/04/659335204.db2.gz ZRFJCUFNMJJNES-UHFFFAOYSA-N 1 0 399.257 1.856 20 0 GDADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCC1 ZINC000903548256 659337230 /nfs/dbraw/zinc/33/72/30/659337230.db2.gz YNCLZSDXWMOTHD-LSDHHAIUSA-N 1 0 378.560 1.125 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1OC ZINC000903548643 659337311 /nfs/dbraw/zinc/33/73/11/659337311.db2.gz NXKKYNBCHGTVFO-GHMZBOCLSA-N 1 0 390.889 1.659 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)/C=C/c1ccc(Cl)cc1)C2 ZINC000903549121 659337717 /nfs/dbraw/zinc/33/77/17/659337717.db2.gz ZZZAJEPYHLWBTR-YXDKUALMSA-N 1 0 384.885 1.853 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)CCc1ccccc1Cl)C2 ZINC000903551937 659338977 /nfs/dbraw/zinc/33/89/77/659338977.db2.gz CWEAKCYMZGUVKT-VBQJREDUSA-N 1 0 386.901 1.425 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903561321 659341155 /nfs/dbraw/zinc/34/11/55/659341155.db2.gz NIZWAILUYRLKIL-MVWJERBFSA-N 1 0 389.271 1.407 20 0 GDADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562571 659341572 /nfs/dbraw/zinc/34/15/72/659341572.db2.gz OXBVSXRKMOGPDV-JPMUSVJPSA-N 1 0 392.591 1.028 20 0 GDADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903569663 659344263 /nfs/dbraw/zinc/34/42/63/659344263.db2.gz GRLHSIZHRGUXOU-PSASIEDQSA-N 1 0 386.779 1.637 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(Br)o2)CC[C@H]1C(F)(F)F ZINC000903579908 659350520 /nfs/dbraw/zinc/35/05/20/659350520.db2.gz RDEXDVAIQVXDFT-RQJHMYQMSA-N 1 0 377.182 1.942 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cnc2c1Cl ZINC000903580177 659351187 /nfs/dbraw/zinc/35/11/87/659351187.db2.gz SPTUZWRQMMIDFP-NXEZZACHSA-N 1 0 397.810 1.591 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[C@@H]1[NH3+] ZINC000903586300 659354620 /nfs/dbraw/zinc/35/46/20/659354620.db2.gz FIGLWYOUVKKYEQ-NSHDSACASA-N 1 0 386.417 1.338 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000903589075 659355842 /nfs/dbraw/zinc/35/58/42/659355842.db2.gz RSTXRZJUNSHQDI-UHFFFAOYSA-N 1 0 381.420 1.597 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c(Br)c1 ZINC000903589577 659355894 /nfs/dbraw/zinc/35/58/94/659355894.db2.gz PNJGZWLZAYHQIS-QMTHXVAHSA-N 1 0 375.288 1.960 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1ccc(I)cc1 ZINC000903592845 659356678 /nfs/dbraw/zinc/35/66/78/659356678.db2.gz SRDBRBAOEYXPCF-GWCFXTLKSA-N 1 0 392.262 1.793 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2)C(F)(F)F ZINC000903591364 659356691 /nfs/dbraw/zinc/35/66/91/659356691.db2.gz DOPZOPZOYTWMBI-AWEZNQCLSA-N 1 0 377.388 1.704 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903593749 659357580 /nfs/dbraw/zinc/35/75/80/659357580.db2.gz UTBZNGKKMIVZJQ-AWEZNQCLSA-N 1 0 388.287 1.065 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cc1Cl ZINC000903610647 659362382 /nfs/dbraw/zinc/36/23/82/659362382.db2.gz ADHMAFIKFOTHEL-BONVTDFDSA-N 1 0 375.853 1.858 20 0 GDADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903719163 659377899 /nfs/dbraw/zinc/37/78/99/659377899.db2.gz IHPCKIXVOJTDSP-GHMZBOCLSA-N 1 0 378.782 1.432 20 0 GDADRO CCS[C@@H]1CCCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903741067 659378274 /nfs/dbraw/zinc/37/82/74/659378274.db2.gz ACVVZJYXZOHCCR-JHJVBQTASA-N 1 0 381.464 1.859 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](c3nccs3)C2)CC[C@@H]1C(F)(F)F ZINC000903775792 659380020 /nfs/dbraw/zinc/38/00/20/659380020.db2.gz GQYQNGOGCBXPQR-GARJFASQSA-N 1 0 376.404 1.197 20 0 GDADRO O=C(C(=O)N1CCC[C@H]1c1cncc(Br)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903799990 659381363 /nfs/dbraw/zinc/38/13/63/659381363.db2.gz HDUNYWAIAJTRDF-GUTXKFCHSA-N 1 0 393.285 1.185 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CN(C)C1(C[NH3+])CCOCC1 ZINC000903804788 659382113 /nfs/dbraw/zinc/38/21/13/659382113.db2.gz KGUDJVKCSUBRFH-UHFFFAOYSA-N 1 0 384.318 1.847 20 0 GDADRO COC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1I ZINC000903875264 659385857 /nfs/dbraw/zinc/38/58/57/659385857.db2.gz NPFPLWNPIIDYQC-LLVKDONJSA-N 1 0 389.237 1.150 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000903968126 659390402 /nfs/dbraw/zinc/39/04/02/659390402.db2.gz ITYNREMJTGRFMQ-LLVKDONJSA-N 1 0 391.287 1.044 20 0 GDADRO O=S1(=O)C[C@H](Cc2nc(Cc3cccc(F)c3Cl)no2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000904093680 659395025 /nfs/dbraw/zinc/39/50/25/659395025.db2.gz BWVPCHIAQUBWPU-GVXVVHGQSA-N 1 0 385.848 1.628 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000904349761 659399321 /nfs/dbraw/zinc/39/93/21/659399321.db2.gz BCIPDZPFPSLWMT-GFCCVEGCSA-N 1 0 390.893 1.554 20 0 GDADRO [NH3+][C@H]1C[C@@H](CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1 ZINC000904334147 659399404 /nfs/dbraw/zinc/39/94/04/659399404.db2.gz NHZZSNBAPTWZRD-XBXGTLAGSA-N 1 0 388.331 1.493 20 0 GDADRO COCCOc1ccc(NC(=O)N2CCO[C@H](C[NH3+])C2)cc1Br ZINC000904550141 659403828 /nfs/dbraw/zinc/40/38/28/659403828.db2.gz BPNBNFXMQREUDS-GFCCVEGCSA-N 1 0 388.262 1.666 20 0 GDADRO [NH3+][C@H](Cc1nc(CC(=O)NC2CC2)no1)Cc1ccc(Br)cc1 ZINC000904682672 659405945 /nfs/dbraw/zinc/40/59/45/659405945.db2.gz LZXVUUWTQBWVPW-LBPRGKRZSA-N 1 0 379.258 1.766 20 0 GDADRO COc1cc(C[NH2+]C[C@H](O)C2(O)CCOCC2)cc(Br)c1OC ZINC000905082662 659421321 /nfs/dbraw/zinc/42/13/21/659421321.db2.gz SMJANICJTRJMSO-AWEZNQCLSA-N 1 0 390.274 1.458 20 0 GDADRO C[C@@](O)(C[NH2+]Cc1cccc(CS(N)(=O)=O)c1)C(F)(F)C(F)(F)F ZINC000905086183 659421817 /nfs/dbraw/zinc/42/18/17/659421817.db2.gz AYNZLLHEYJASKV-LLVKDONJSA-N 1 0 376.347 1.513 20 0 GDADRO CN(CC[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)S(=O)(=O)c1cccs1 ZINC000905178440 659429832 /nfs/dbraw/zinc/42/98/32/659429832.db2.gz WNICYPQCVABNDA-JKSUJKDBSA-N 1 0 384.523 1.443 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905200688 659432186 /nfs/dbraw/zinc/43/21/86/659432186.db2.gz HLWCXWMQSIMDSJ-GFCCVEGCSA-N 1 0 396.422 1.975 20 0 GDADRO O=c1ccc(Br)cn1CC[NH2+]C[C@H](O)C[C@H](O)c1ccccc1 ZINC000905272269 659438752 /nfs/dbraw/zinc/43/87/52/659438752.db2.gz GNJLXLDXYBLTEB-CVEARBPZSA-N 1 0 381.270 1.685 20 0 GDADRO C[C@](O)(C[NH2+]CC1(N2CCOCC2)CCOCC1)C(F)(F)C(F)(F)F ZINC000905284233 659439735 /nfs/dbraw/zinc/43/97/35/659439735.db2.gz LGGZIKYUPXHQQP-LBPRGKRZSA-N 1 0 376.366 1.406 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000905358103 659446648 /nfs/dbraw/zinc/44/66/48/659446648.db2.gz NLLFLHLWMJTOSN-HNNXBMFYSA-N 1 0 389.543 1.136 20 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GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC(C)(C)C1CC1 ZINC000905639013 659471166 /nfs/dbraw/zinc/47/11/66/659471166.db2.gz AIUYDKYENCSIHT-UHFFFAOYSA-N 1 0 388.555 1.736 20 0 GDADRO C[C@@H](OC[C@H](O)C[NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(Cl)cc1 ZINC000905665554 659473384 /nfs/dbraw/zinc/47/33/84/659473384.db2.gz UOBSEWZHDPQFHR-RHSMWYFYSA-N 1 0 390.933 1.794 20 0 GDADRO O=c1n(CN2CC[C@@H]([NH+]3CCCC3)C2)nnn1-c1ccc(Br)cc1 ZINC000905669473 659473685 /nfs/dbraw/zinc/47/36/85/659473685.db2.gz YAAQVDRHHXCHIQ-OAHLLOKOSA-N 1 0 393.289 1.319 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(Cn3nnn(-c4ccc(Br)cc4)c3=O)CC[C@@H]21 ZINC000905670640 659474332 /nfs/dbraw/zinc/47/43/32/659474332.db2.gz GVSPQVXHDHEALT-DOMZBBRYSA-N 1 0 393.289 1.175 20 0 GDADRO O[C@@]1(CNCc2ncc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000905670095 659474407 /nfs/dbraw/zinc/47/44/07/659474407.db2.gz XUNYYVQBZUARPL-QGZVFWFLSA-N 1 0 377.286 1.966 20 0 GDADRO O=c1cc(N2CC[C@H]([NH2+]C[C@@H](O)c3ccc(Br)cc3)C2)nc[nH]1 ZINC000905695406 659476533 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GDADRO CN(CC(=O)N(C)c1cc(C[NH3+])ccn1)C(=O)c1ccc(Br)o1 ZINC000906225441 659525727 /nfs/dbraw/zinc/52/57/27/659525727.db2.gz KKMWIAMAJPUTLB-UHFFFAOYSA-N 1 0 381.230 1.631 20 0 GDADRO CN(C(=O)c1nscc1I)[C@@H]1C[NH+]2CCC1CC2 ZINC000906648620 659564930 /nfs/dbraw/zinc/56/49/30/659564930.db2.gz UDNYEJQIPCLDKQ-SNVBAGLBSA-N 1 0 377.251 1.914 20 0 GDADRO C[NH+](C)CCCCNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC000906674592 659568727 /nfs/dbraw/zinc/56/87/27/659568727.db2.gz BMQQKGYMZMOHLH-UHFFFAOYSA-N 1 0 375.516 1.175 20 0 GDADRO C[C@H](CNC(=O)c1cccn2ncc(Br)c12)C[NH+]1CCN(C)CC1 ZINC000906679361 659569612 /nfs/dbraw/zinc/56/96/12/659569612.db2.gz XXDKQRCSZKHDGF-CYBMUJFWSA-N 1 0 394.317 1.710 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)CC1 ZINC000906682101 659570142 /nfs/dbraw/zinc/57/01/42/659570142.db2.gz BHFVKAULAHIRNQ-UHFFFAOYSA-N 1 0 381.889 1.925 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cnc(Br)c(Br)c2)CC1 ZINC000906698233 659572895 /nfs/dbraw/zinc/57/28/95/659572895.db2.gz 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C[C@@H](NC(=O)c1nscc1I)[C@H]1C[N@H+](C)CCN1C ZINC000906781707 659587185 /nfs/dbraw/zinc/58/71/85/659587185.db2.gz VQKASPDDSUNBLX-PSASIEDQSA-N 1 0 394.282 1.112 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000906782535 659587248 /nfs/dbraw/zinc/58/72/48/659587248.db2.gz PVNJVBLIDBTAIW-NSHDSACASA-N 1 0 380.495 1.565 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906857610 659602580 /nfs/dbraw/zinc/60/25/80/659602580.db2.gz YRUTZOIMFQCMHJ-UHFFFAOYSA-N 1 0 384.274 1.132 20 0 GDADRO C[N@@H+]1CCN(CCNS(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1(C)C ZINC000907175982 659690728 /nfs/dbraw/zinc/69/07/28/659690728.db2.gz ORFQVNLISDSEQS-UHFFFAOYSA-N 1 0 385.921 1.521 20 0 GDADRO C[NH+](C)CC(C)(C)NS(=O)(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000907238263 659705683 /nfs/dbraw/zinc/70/56/83/659705683.db2.gz NEMOGNLEKQOURZ-UHFFFAOYSA-N 1 0 377.551 1.893 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)oc1Cl ZINC000907307335 659724320 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CC[N@@H+]1CCN(C(=O)Cn2nc(Br)c(Br)n2)[C@@H](C)C1 ZINC000908145141 659875999 /nfs/dbraw/zinc/87/59/99/659875999.db2.gz YNLZSMWKELFONU-QMMMGPOBSA-N 1 0 395.099 1.356 20 0 GDADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CN2CSCCSC2)CC1 ZINC000908155975 659877034 /nfs/dbraw/zinc/87/70/34/659877034.db2.gz MJUQYUKZYCCLLU-UHFFFAOYSA-N 1 0 388.603 1.132 20 0 GDADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000908190126 659880029 /nfs/dbraw/zinc/88/00/29/659880029.db2.gz OOEVTGSFZOWPPJ-CZUORRHYSA-N 1 0 383.539 1.511 20 0 GDADRO Cn1c(SCC(=O)N[C@@H](CO)C[NH+]2CCCC2)nnc1-c1cccs1 ZINC000908206435 659882841 /nfs/dbraw/zinc/88/28/41/659882841.db2.gz RWJQDGPLGKVLMA-GFCCVEGCSA-N 1 0 381.527 1.209 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc2ncc(Br)cn2n1 ZINC000908240718 659885608 /nfs/dbraw/zinc/88/56/08/659885608.db2.gz ZNMUKBUDUGCESN-UHFFFAOYSA-N 1 0 397.321 1.447 20 0 GDADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)C2)C1 ZINC000908424114 659906892 /nfs/dbraw/zinc/90/68/92/659906892.db2.gz VKUUUVUKJAGNFY-QGZVFWFLSA-N 1 0 383.539 1.370 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000908586021 659926243 /nfs/dbraw/zinc/92/62/43/659926243.db2.gz USUGFPZXVFNAKQ-UHFFFAOYSA-N 1 0 388.917 1.709 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908604054 659926677 /nfs/dbraw/zinc/92/66/77/659926677.db2.gz DZYWNSGUELDYFH-UHFFFAOYSA-N 1 0 386.290 1.823 20 0 GDADRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2nn(C)cc2I)C1 ZINC000909248641 659943695 /nfs/dbraw/zinc/94/36/95/659943695.db2.gz IFJCTDYBWVPHLZ-LLVKDONJSA-N 1 0 390.269 1.763 20 0 GDADRO O=C(CNC(=O)c1nc(F)ccc1Br)NCC[NH+]1CCCCC1 ZINC000909316108 659945228 /nfs/dbraw/zinc/94/52/28/659945228.db2.gz YZBKLSCOKKRGEI-UHFFFAOYSA-N 1 0 387.253 1.315 20 0 GDADRO O=C(CNC(=O)Cc1ccccc1Br)NCC[NH+]1CCCCC1 ZINC000909326785 659945972 /nfs/dbraw/zinc/94/59/72/659945972.db2.gz XRTAUJNTBZXXGD-UHFFFAOYSA-N 1 0 382.302 1.710 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910536063 659974515 /nfs/dbraw/zinc/97/45/15/659974515.db2.gz XJMMPGRFESMSGO-KBXCAEBGSA-N 1 0 394.313 1.818 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000910970271 659989506 /nfs/dbraw/zinc/98/95/06/659989506.db2.gz KBSUQNWXWZQAGS-CHWSQXEVSA-N 1 0 382.302 1.694 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000911004462 659990660 /nfs/dbraw/zinc/99/06/60/659990660.db2.gz QKCWTCJLXMWBLY-SJCJKPOMSA-N 1 0 398.276 1.587 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C[C@H]1C(F)(F)F ZINC000911012829 659990869 /nfs/dbraw/zinc/99/08/69/659990869.db2.gz UVVMXPAQPBYFEJ-JHJVBQTASA-N 1 0 375.778 1.271 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)c1nc(C(F)(F)F)cs1 ZINC000911039408 659991836 /nfs/dbraw/zinc/99/18/36/659991836.db2.gz JGZUEEAUYOYZIY-IUCAKERBSA-N 1 0 378.420 1.925 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000911043747 659992370 /nfs/dbraw/zinc/99/23/70/659992370.db2.gz WAPFOYSJLLUCLV-CHWSQXEVSA-N 1 0 382.302 1.736 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000911054569 659992799 /nfs/dbraw/zinc/99/27/99/659992799.db2.gz ILWYGVCIVPHGSV-BXUZGUMPSA-N 1 0 380.286 1.321 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)NCCc1ccc(Br)s1 ZINC000911064781 659993036 /nfs/dbraw/zinc/99/30/36/659993036.db2.gz BERXZUXGEBJKKA-ZUZCIYMTSA-N 1 0 386.315 1.509 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC000911098854 659994172 /nfs/dbraw/zinc/99/41/72/659994172.db2.gz HKOUGPJVJMIBGL-JSGCOSHPSA-N 1 0 382.302 1.551 20 0 GDADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000911182392 659997731 /nfs/dbraw/zinc/99/77/31/659997731.db2.gz CGOTUMAYKKGQMT-KFWWJZLASA-N 1 0 385.599 1.706 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000911208663 659998560 /nfs/dbraw/zinc/99/85/60/659998560.db2.gz NMUJKVYVQJIXAI-NQBHXWOUSA-N 1 0 384.274 1.186 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000911212228 659998899 /nfs/dbraw/zinc/99/88/99/659998899.db2.gz OQQSOHUSOHZPHW-XPTSAGLGSA-N 1 0 376.404 1.160 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)CC[C@@H]1C[NH3+] ZINC000911213244 659999030 /nfs/dbraw/zinc/99/90/30/659999030.db2.gz WELGKQBCJPPIHT-NXEZZACHSA-N 1 0 378.420 1.264 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1)C2 ZINC000911213489 659999076 /nfs/dbraw/zinc/99/90/76/659999076.db2.gz ZBLHENIPAQSKQF-AEJSXWLSSA-N 1 0 376.404 1.159 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(Br)cc1 ZINC000911267972 660001085 /nfs/dbraw/zinc/00/10/85/660001085.db2.gz BNLSAFUXUFWQII-QLFBSQMISA-N 1 0 394.313 1.852 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCc2ccc(Br)c(F)c2C1)C1CC1 ZINC000911273145 660001291 /nfs/dbraw/zinc/00/12/91/660001291.db2.gz IPUAVBFHKLMWBM-ZDUSSCGKSA-N 1 0 384.249 1.326 20 0 GDADRO 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CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC(Nc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571282615 945854691 /nfs/dbraw/zinc/85/46/91/945854691.db2.gz LXNHQVKQLFXRTH-LJQANCHMSA-N 1 0 387.463 1.702 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC001571282749 945859697 /nfs/dbraw/zinc/85/96/97/945859697.db2.gz PUZBBNZDXCNQSO-INIZCTEOSA-N 1 0 387.463 1.529 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282909 945867560 /nfs/dbraw/zinc/86/75/60/945867560.db2.gz VJXNCBVEGOQSOY-CJNGLKHVSA-N 1 0 387.463 1.038 20 0 GDADRO CC(=O)N[C@](C)(C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573455308 945882701 /nfs/dbraw/zinc/88/27/01/945882701.db2.gz CGTINOOQAMHNQI-DJJJIMSYSA-N 1 0 387.488 1.012 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCCCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571284106 945893414 /nfs/dbraw/zinc/89/34/14/945893414.db2.gz LOBOSWIIPKIYIK-WMLDXEAASA-N 1 0 387.488 1.600 20 0 GDADRO COC[C@@H](C)[N@@H+]1CC[C@@H](C2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001571285216 945911589 /nfs/dbraw/zinc/91/15/89/945911589.db2.gz ZNODVKWQFBGNBI-UKRRQHHQSA-N 1 0 387.488 1.404 20 0 GDADRO CCOC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571285082 945911684 /nfs/dbraw/zinc/91/16/84/945911684.db2.gz YGTXXWMOSBEHKI-AHNOJICISA-N 1 0 387.488 1.641 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cnns1 ZINC001571286367 945944761 /nfs/dbraw/zinc/94/47/61/945944761.db2.gz FXXBSCCHLLOGOC-NOZJJQNGSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@H]1CN(C(=O)c2csnn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571286434 945948505 /nfs/dbraw/zinc/94/85/05/945948505.db2.gz HPLNNZFVAPRNQU-TVQRCGJNSA-N 1 0 388.432 1.108 20 0 GDADRO C[C@@]1(C(=O)NC2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CCOC1 ZINC001571287214 945967700 /nfs/dbraw/zinc/96/77/00/945967700.db2.gz AWPHFYWMQFSZAO-LJQANCHMSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@H]1CCCO1 ZINC001571287844 945980602 /nfs/dbraw/zinc/98/06/02/945980602.db2.gz JGQAEQHDYNIEKZ-XGWLTEMNSA-N 1 0 388.447 1.559 20 0 GDADRO C[N@@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC001571288015 945981154 /nfs/dbraw/zinc/98/11/54/945981154.db2.gz LJLVOGJWVBLQOZ-LSDHHAIUSA-N 1 0 388.447 1.465 20 0 GDADRO CO[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CCC1 ZINC001571288459 945988820 /nfs/dbraw/zinc/98/88/20/945988820.db2.gz PAWQLGYDONCCOZ-WBVHZDCISA-N 1 0 388.447 1.511 20 0 GDADRO CCO[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288960 945995099 /nfs/dbraw/zinc/99/50/99/945995099.db2.gz VLAGVWJKTFBGGD-DOTOQJQBSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C1CCC(O)CC1 ZINC001571289327 945999839 /nfs/dbraw/zinc/99/98/39/945999839.db2.gz ZRNGTJGLTGNEOL-GZYXLSHKSA-N 1 0 388.447 1.294 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCc2cccnc21 ZINC001571294506 946136355 /nfs/dbraw/zinc/13/63/55/946136355.db2.gz HWDFDZSAMSSQQN-BZSNNMDCSA-N 1 0 389.463 1.729 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000822614968 946140931 /nfs/dbraw/zinc/14/09/31/946140931.db2.gz YFHOTDSARPYMMJ-CQSZACIVSA-N 1 0 381.444 1.386 20 0 GDADRO Cc1ccncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001571295070 946153332 /nfs/dbraw/zinc/15/33/32/946153332.db2.gz OPILPEZJHWTKNR-HDICACEKSA-N 1 0 389.463 1.774 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1Cc2cccnc2C1 ZINC001571295596 946170092 /nfs/dbraw/zinc/17/00/92/946170092.db2.gz YRBJQFLCGUGXCV-ROUUACIJSA-N 1 0 389.463 1.367 20 0 GDADRO O=C(c1cncnc1)N1CCC2(C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001571298095 946206523 /nfs/dbraw/zinc/20/65/23/946206523.db2.gz JIJGFYTZQWEWDT-UHFFFAOYSA-N 1 0 390.451 1.395 20 0 GDADRO CC(C)[C@@H](F)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571298077 946206786 /nfs/dbraw/zinc/20/67/86/946206786.db2.gz JDMAFKJDWRNFRG-DOTOQJQBSA-N 1 0 390.463 1.568 20 0 GDADRO O=C(CC[NH+]1CCC(O[C@@H]2CCOC2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000822963865 946236537 /nfs/dbraw/zinc/23/65/37/946236537.db2.gz AANLQTMNVWKPDA-OAHLLOKOSA-N 1 0 386.456 1.465 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H]1CN1CCOCC1)Nc1sccc1-c1nn[nH]n1 ZINC000822965007 946239520 /nfs/dbraw/zinc/23/95/20/946239520.db2.gz WOYSKTRCZUKEOL-CYBMUJFWSA-N 1 0 391.501 1.053 20 0 GDADRO CC(C)(O)CC(=O)N1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001571300215 946273999 /nfs/dbraw/zinc/27/39/99/946273999.db2.gz XCIOXESKNNEGRT-GXTWGEPZSA-N 1 0 390.513 1.512 20 0 GDADRO O=C(C[C@H]1CCOC1)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571300160 946275269 /nfs/dbraw/zinc/27/52/69/946275269.db2.gz VVUZJVUXYDFXQC-ZIAGYGMSSA-N 1 0 390.513 1.826 20 0 GDADRO O=C(c1c(F)cncc1F)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571301821 946284788 /nfs/dbraw/zinc/28/47/88/946284788.db2.gz DYSFRGCSQTXAOA-VIFPVBQESA-N 1 0 391.407 1.606 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)C3(C)CC(F)(F)C3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571302311 946299586 /nfs/dbraw/zinc/29/95/86/946299586.db2.gz UNSWLRUOEPGLNY-QMTHXVAHSA-N 1 0 391.426 1.686 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571307185 946417856 /nfs/dbraw/zinc/41/78/56/946417856.db2.gz ZHPSXGZRQRIZJU-KUHUBIRLSA-N 1 0 391.479 1.749 20 0 GDADRO Cc1cncc(CC(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571307217 946420563 /nfs/dbraw/zinc/42/05/63/946420563.db2.gz ZXHYFOLONMXMPR-SFHVURJKSA-N 1 0 391.479 1.893 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823689857 946467200 /nfs/dbraw/zinc/46/72/00/946467200.db2.gz JWEAQOUTZOHWFO-SJLPKXTDSA-N 1 0 386.500 1.414 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC001571310620 946478011 /nfs/dbraw/zinc/47/80/11/946478011.db2.gz KWDWNKSRJYCKHE-ZBFHGGJFSA-N 1 0 392.467 1.360 20 0 GDADRO C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nn[nH]n3)C2)cc1 ZINC001571312708 946500160 /nfs/dbraw/zinc/50/01/60/946500160.db2.gz BFNPIGCLKVZZMD-IYBDPMFKSA-N 1 0 392.467 1.696 20 0 GDADRO CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)cn1 ZINC001571313653 946528311 /nfs/dbraw/zinc/52/83/11/946528311.db2.gz SJCFABFRYHAYEO-NNZMDNLPSA-N 1 0 392.467 1.191 20 0 GDADRO CCc1ncncc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571313704 946530499 /nfs/dbraw/zinc/53/04/99/946530499.db2.gz UGIQVKOKANFUHI-MRXNPFEDSA-N 1 0 392.467 1.614 20 0 GDADRO C[C@H]1CN(C(=O)CCc2ccccn2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571314002 946539912 /nfs/dbraw/zinc/53/99/12/946539912.db2.gz YPLUPFUHRCTBLO-LSDHHAIUSA-N 1 0 392.467 1.218 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)[nH]n1 ZINC001571315786 946559479 /nfs/dbraw/zinc/55/94/79/946559479.db2.gz OBFAQKUTHYJRIX-ZWKOTPCHSA-N 1 0 392.467 1.777 20 0 GDADRO Cc1cc(NC[C@@]2(C)CCN(C(=O)c3ccncc3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315848 946561459 /nfs/dbraw/zinc/56/14/59/946561459.db2.gz PMGGWKZYKBFEIF-HXUWFJFHSA-N 1 0 392.467 1.660 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccc(-c4nn[nH]n4)cc2)C3)n1 ZINC001571316040 946562869 /nfs/dbraw/zinc/56/28/69/946562869.db2.gz SFMDNQVQOMPPCX-XIRDDKMYSA-N 1 0 392.467 1.681 20 0 GDADRO Cc1ccc(C(=O)N2CCC[C@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001571316013 946564074 /nfs/dbraw/zinc/56/40/74/946564074.db2.gz RSMHNKCDKAWKKQ-OAHLLOKOSA-N 1 0 392.467 1.954 20 0 GDADRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC000824077650 946577967 /nfs/dbraw/zinc/57/79/67/946577967.db2.gz CRAZUQQOMQHSNY-DJIMGWMZSA-N 1 0 375.473 1.335 20 0 GDADRO Cc1ncncc1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571316543 946578513 /nfs/dbraw/zinc/57/85/13/946578513.db2.gz FXIAZZHOXMSMEW-GUYCJALGSA-N 1 0 392.467 1.748 20 0 GDADRO Cn1cc(C(=O)N[C@@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C23CCC3)cn1 ZINC001571316773 946586250 /nfs/dbraw/zinc/58/62/50/946586250.db2.gz MJKNWXMNPCBUMF-DLBZAZTESA-N 1 0 392.467 1.431 20 0 GDADRO Cc1ccncc1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571316794 946586799 /nfs/dbraw/zinc/58/67/99/946586799.db2.gz MTWVNNLGNFGDJI-MSOLQXFVSA-N 1 0 392.467 1.777 20 0 GDADRO Cn1cccc1C(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C1 ZINC001571316874 946590694 /nfs/dbraw/zinc/59/06/94/946590694.db2.gz ORUNYCDQDSSOGL-NUEKZKHPSA-N 1 0 392.467 1.375 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4-c4nn[nH]n4)C3)C2)n1 ZINC001571317021 946594648 /nfs/dbraw/zinc/59/46/48/946594648.db2.gz SCALYPIVTWMPRF-FQEVSTJZSA-N 1 0 392.467 1.338 20 0 GDADRO O=C(c1cnn2c1CCCC2)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317481 946611861 /nfs/dbraw/zinc/61/18/61/946611861.db2.gz JKJCTCYTSXIVFG-INIZCTEOSA-N 1 0 392.467 1.404 20 0 GDADRO O=C(c1cnn2c1CCC2)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571317543 946614265 /nfs/dbraw/zinc/61/42/65/946614265.db2.gz LXEBFQVSJYQUKW-UHFFFAOYSA-N 1 0 392.467 1.358 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(-c2nn[nH]n2)c1 ZINC001571317849 946623390 /nfs/dbraw/zinc/62/33/90/946623390.db2.gz XFWJTXUBXBCMTC-OAHLLOKOSA-N 1 0 392.529 1.821 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573523802 946639196 /nfs/dbraw/zinc/63/91/96/946639196.db2.gz WXGRQGPBXKSFIP-QWHCGFSZSA-N 1 0 387.488 1.012 20 0 GDADRO CC(C)N1CC[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000824296028 946647434 /nfs/dbraw/zinc/64/74/34/946647434.db2.gz CZRHGIQOAPOVAU-GOSISDBHSA-N 1 0 383.500 1.430 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824412547 946693448 /nfs/dbraw/zinc/69/34/48/946693448.db2.gz ARGXHBHJLWVZOD-OAHLLOKOSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562059 946802564 /nfs/dbraw/zinc/80/25/64/946802564.db2.gz CHEQMYQZQCJMJN-LBPRGKRZSA-N 1 0 380.408 1.927 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[nH]n1)Cc1ccccc1 ZINC000825405492 947176247 /nfs/dbraw/zinc/17/62/47/947176247.db2.gz BUFKIYZACOKCJM-MRXNPFEDSA-N 1 0 397.483 1.775 20 0 GDADRO C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573585365 947254206 /nfs/dbraw/zinc/25/42/06/947254206.db2.gz DTBKDSWWFDYVHS-HUUCEWRRSA-N 1 0 386.504 1.785 20 0 GDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825616106 947259511 /nfs/dbraw/zinc/25/95/11/947259511.db2.gz WQVOTYFPMWKWOW-UHFFFAOYSA-N 1 0 396.455 1.598 20 0 GDADRO CCc1nc(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)no1 ZINC000825744882 947315172 /nfs/dbraw/zinc/31/51/72/947315172.db2.gz GKSZNLFWKYELSY-UHFFFAOYSA-N 1 0 379.428 1.545 20 0 GDADRO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573592213 947330086 /nfs/dbraw/zinc/33/00/86/947330086.db2.gz BBAQPACHNAUONQ-STQMWFEESA-N 1 0 386.485 1.419 20 0 GDADRO C[C@@H](C(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001573592794 947347792 /nfs/dbraw/zinc/34/77/92/947347792.db2.gz MWDLPTIVEZPKEX-AWEZNQCLSA-N 1 0 382.472 1.643 20 0 GDADRO C[N@H+](CCc1ccccn1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825946239 947380598 /nfs/dbraw/zinc/38/05/98/947380598.db2.gz PBMCDLLRTKRTHE-SFHVURJKSA-N 1 0 377.452 1.932 20 0 GDADRO C[C@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573594358 947392704 /nfs/dbraw/zinc/39/27/04/947392704.db2.gz YIABESFUVSQRFX-SUMWQHHRSA-N 1 0 385.472 1.504 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573594871 947410818 /nfs/dbraw/zinc/41/08/18/947410818.db2.gz DCWLFSMWMSHPKS-IUODEOHRSA-N 1 0 392.479 1.597 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826060237 947422337 /nfs/dbraw/zinc/42/23/37/947422337.db2.gz IYHDYLFOTXKZLY-QZTJIDSGSA-N 1 0 383.500 1.335 20 0 GDADRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C ZINC000826132602 947446051 /nfs/dbraw/zinc/44/60/51/947446051.db2.gz FCIHLYUZFNFEAM-WQVCFCJDSA-N 1 0 384.440 1.103 20 0 GDADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826133125 947446777 /nfs/dbraw/zinc/44/67/77/947446777.db2.gz JYTLUEHLFOYAMS-SJKOYZFVSA-N 1 0 392.485 1.968 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573601769 947463788 /nfs/dbraw/zinc/46/37/88/947463788.db2.gz BEGFZFKIKPWXBS-CQSZACIVSA-N 1 0 382.472 1.294 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573603337 947484482 /nfs/dbraw/zinc/48/44/82/947484482.db2.gz KKKJUONDXUKVCY-CXAGYDPISA-N 1 0 390.463 1.711 20 0 GDADRO C=Cc1ccc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001573350750 947601631 /nfs/dbraw/zinc/60/16/31/947601631.db2.gz FWOYFYSFMYWBAN-IBGZPJMESA-N 1 0 392.463 1.732 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573617415 947635982 /nfs/dbraw/zinc/63/59/82/947635982.db2.gz OZOXUOXZFKCGKX-UONOGXRCSA-N 1 0 381.440 1.943 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC001573354860 947636153 /nfs/dbraw/zinc/63/61/53/947636153.db2.gz IYWYXJIEVPHLQC-CQSZACIVSA-N 1 0 384.465 1.452 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573619610 947667214 /nfs/dbraw/zinc/66/72/14/947667214.db2.gz WEIXHKIBOHWAOQ-SWLSCSKDSA-N 1 0 384.419 1.154 20 0 GDADRO C/C(=C/C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1)C1CC1 ZINC001573361647 947694179 /nfs/dbraw/zinc/69/41/79/947694179.db2.gz DFTORSLSWXVKKJ-KWDXZQLTSA-N 1 0 381.484 1.997 20 0 GDADRO Cc1c(Cl)cnc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1-c1nn[nH]n1 ZINC000826237122 947695359 /nfs/dbraw/zinc/69/53/59/947695359.db2.gz OOOHOGKZQAEKED-NSHDSACASA-N 1 0 379.896 1.753 20 0 GDADRO C/C(=C\C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C1CC1 ZINC001573361849 947696047 /nfs/dbraw/zinc/69/60/47/947696047.db2.gz FUMPBWVLNQAWKH-ZQICTRMJSA-N 1 0 382.468 1.274 20 0 GDADRO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258945 947747285 /nfs/dbraw/zinc/74/72/85/947747285.db2.gz BSCCCAGROBZHTH-OAHLLOKOSA-N 1 0 394.483 1.965 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC001573368011 947766581 /nfs/dbraw/zinc/76/65/81/947766581.db2.gz KSANWWRNGPDCAC-RDTXWAMCSA-N 1 0 384.484 1.810 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573368017 947766652 /nfs/dbraw/zinc/76/66/52/947766652.db2.gz KWRZEJRVXBQENB-FQEVSTJZSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573376326 947834575 /nfs/dbraw/zinc/83/45/75/947834575.db2.gz YSUBGYVWEHETSP-ZDUSSCGKSA-N 1 0 376.486 1.626 20 0 GDADRO CC(=O)CCCC(=O)N1CCCCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573376328 947834650 /nfs/dbraw/zinc/83/46/50/947834650.db2.gz YTLRGNARNPJQNM-OAHLLOKOSA-N 1 0 385.472 1.626 20 0 GDADRO Cc1ccc(C[N@H+](CCO)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826288126 947837803 /nfs/dbraw/zinc/83/78/03/947837803.db2.gz SBAQJOJRZANNJX-GOSISDBHSA-N 1 0 383.452 1.409 20 0 GDADRO CC(=O)CCCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCC1 ZINC001573381036 947869128 /nfs/dbraw/zinc/86/91/28/947869128.db2.gz NWXQXDUBUYNQHL-UHFFFAOYSA-N 1 0 388.447 1.894 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccc1 ZINC001573651656 947923882 /nfs/dbraw/zinc/92/38/82/947923882.db2.gz NVWOVQUDBPNGJH-KFKAGJAMSA-N 1 0 391.479 1.962 20 0 GDADRO C[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccc1 ZINC001573653244 947953247 /nfs/dbraw/zinc/95/32/47/947953247.db2.gz JYNXNEFISJAJHX-DOMZBBRYSA-N 1 0 385.497 1.975 20 0 GDADRO C[C@H](C(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCOCC1)C1CC1 ZINC001573657601 948000751 /nfs/dbraw/zinc/00/07/51/948000751.db2.gz NRAWCEXGSNNILB-AWEZNQCLSA-N 1 0 384.484 1.668 20 0 GDADRO Cc1onc(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1-c1nn[nH]n1 ZINC000826347274 948051286 /nfs/dbraw/zinc/05/12/86/948051286.db2.gz LKOGTDAHABKSMB-CQSZACIVSA-N 1 0 385.428 1.642 20 0 GDADRO Cc1onc(CC(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1-c1nn[nH]n1 ZINC000826348974 948084719 /nfs/dbraw/zinc/08/47/19/948084719.db2.gz OHKDTGSZJHXDJM-UHFFFAOYSA-N 1 0 394.439 1.861 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573666253 948085312 /nfs/dbraw/zinc/08/53/12/948085312.db2.gz RNXMUFHROKEILI-GJZGRUSLSA-N 1 0 380.456 1.800 20 0 GDADRO Cn1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361350 948131749 /nfs/dbraw/zinc/13/17/49/948131749.db2.gz UDRVOZSXHMRTQN-IRXDYDNUSA-N 1 0 397.508 1.974 20 0 GDADRO CC(=O)N1CC2(CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)[C@H]2COC[C@H]21 ZINC001573426891 948159869 /nfs/dbraw/zinc/15/98/69/948159869.db2.gz QCWOTDURBFSOGZ-DOTOQJQBSA-N 1 0 383.456 1.034 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573679599 948163380 /nfs/dbraw/zinc/16/33/80/948163380.db2.gz LHTGXEVSWMQEEG-ZIAGYGMSSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573680238 948175617 /nfs/dbraw/zinc/17/56/17/948175617.db2.gz OWOGIDZYKGNZGL-KBPBESRZSA-N 1 0 382.472 1.340 20 0 GDADRO CC(C)[C@H](CNC(=O)[C@H](C)c1cccnc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573680685 948185261 /nfs/dbraw/zinc/18/52/61/948185261.db2.gz PQEHIMZZEWDHML-DYVFJYSZSA-N 1 0 380.456 1.435 20 0 GDADRO C[C@H](C(=O)NC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+]1CCCCCC1 ZINC001573680949 948191218 /nfs/dbraw/zinc/19/12/18/948191218.db2.gz SSOHHSFXNNQVMK-OAHLLOKOSA-N 1 0 383.500 1.432 20 0 GDADRO CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573432637 948191839 /nfs/dbraw/zinc/19/18/39/948191839.db2.gz HKOIWQBFZZAVOV-TZMCWYRMSA-N 1 0 386.353 1.895 20 0 GDADRO CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573434475 948215171 /nfs/dbraw/zinc/21/51/71/948215171.db2.gz SEXPYNCBEYAMJU-MOPGFXCFSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573693817 948289274 /nfs/dbraw/zinc/28/92/74/948289274.db2.gz ZQNCRDQEHUKCMV-MLGOLLRUSA-N 1 0 388.447 1.559 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826443690 948306384 /nfs/dbraw/zinc/30/63/84/948306384.db2.gz ZIVGBZSKFLBIGM-HNNXBMFYSA-N 1 0 381.440 1.082 20 0 GDADRO O=S(=O)(CC[NH2+][C@@H](CCO)C1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826484651 948399896 /nfs/dbraw/zinc/39/98/96/948399896.db2.gz KOFYSMSSCKPZMW-KRWDZBQOSA-N 1 0 393.513 1.561 20 0 GDADRO O[C@@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCOCC1 ZINC000826502850 948421583 /nfs/dbraw/zinc/42/15/83/948421583.db2.gz LLHHWRDCGHHHCV-IBGZPJMESA-N 1 0 386.500 1.208 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+]CCOC[C@@H]2CCOC2)CC1 ZINC000826514130 948438664 /nfs/dbraw/zinc/43/86/64/948438664.db2.gz IFYZRKKCTPDKIS-QGZVFWFLSA-N 1 0 386.500 1.474 20 0 GDADRO c1ccn2c(c1)nc(N1CC[C@H](OCC[NH+]3CCCCC3)C1)c2-c1nn[nH]n1 ZINC000826524157 948461030 /nfs/dbraw/zinc/46/10/30/948461030.db2.gz LDELIADHMLLJIT-HNNXBMFYSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573708978 948463665 /nfs/dbraw/zinc/46/36/65/948463665.db2.gz YNESHIGUNFLSFR-WBVHZDCISA-N 1 0 379.468 1.868 20 0 GDADRO C[C@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573713648 948465818 /nfs/dbraw/zinc/46/58/18/948465818.db2.gz AUAIQDFLRZWFAS-NEPJUHHUSA-N 1 0 379.415 1.886 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)C(F)(F)F ZINC001573727413 948553572 /nfs/dbraw/zinc/55/35/72/948553572.db2.gz NEUVRZURUYUFOR-OUAUKWLOSA-N 1 0 383.378 1.649 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573727550 948555450 /nfs/dbraw/zinc/55/54/50/948555450.db2.gz AETLWTIMDAEBBM-AVGNSLFASA-N 1 0 386.485 1.370 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)C(C)(F)F ZINC001573728645 948561394 /nfs/dbraw/zinc/56/13/94/948561394.db2.gz QFDCFAOJLLYSNB-GRYCIOLGSA-N 1 0 379.415 1.742 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573728673 948563059 /nfs/dbraw/zinc/56/30/59/948563059.db2.gz QKLYMTAEORCCAG-IJEWVQPXSA-N 1 0 392.467 1.579 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCCO1 ZINC001573729679 948570136 /nfs/dbraw/zinc/57/01/36/948570136.db2.gz IUKDWIDRTYRWNW-QXRTWZOPSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001573745969 948677906 /nfs/dbraw/zinc/67/79/06/948677906.db2.gz HKHLHSOTFMZLGM-BNOWGMLFSA-N 1 0 383.481 1.864 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573753606 948718863 /nfs/dbraw/zinc/71/88/63/948718863.db2.gz VUNHJULFQARMCN-FVQBIDKESA-N 1 0 384.488 1.585 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccn1 ZINC001573753589 948718891 /nfs/dbraw/zinc/71/88/91/948718891.db2.gz VOMDCQFKQJDIEK-KCPJHIHWSA-N 1 0 384.419 1.200 20 0 GDADRO CC(F)(F)C1(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001575223340 948764371 /nfs/dbraw/zinc/76/43/71/948764371.db2.gz NZXULRNLWPWRFP-ZDUSSCGKSA-N 1 0 376.411 1.993 20 0 GDADRO CC(F)(F)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575223508 948766524 /nfs/dbraw/zinc/76/65/24/948766524.db2.gz CDWSSQSTUXFZNJ-CYBMUJFWSA-N 1 0 380.399 1.229 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncc1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574916932 948798405 /nfs/dbraw/zinc/79/84/05/948798405.db2.gz MPOKQMSLRWFGBL-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574916916 948799101 /nfs/dbraw/zinc/79/91/01/948799101.db2.gz MGZGNGJUNLURNP-ZDUSSCGKSA-N 1 0 383.431 1.628 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574917146 948810129 /nfs/dbraw/zinc/81/01/29/948810129.db2.gz RZIGRQRBPADHJJ-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO CC(F)(F)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575227350 948828686 /nfs/dbraw/zinc/82/86/86/948828686.db2.gz UMVOAIKVUKDOIV-LBPRGKRZSA-N 1 0 382.390 1.989 20 0 GDADRO CC(F)(F)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001575227696 948832782 /nfs/dbraw/zinc/83/27/82/948832782.db2.gz YKVARTZBQIHUMV-UHFFFAOYSA-N 1 0 376.411 1.946 20 0 GDADRO CC(C)[C@@H](F)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574081918 948841302 /nfs/dbraw/zinc/84/13/02/948841302.db2.gz XUIVHGYNWVPDPY-XJKCOSOUSA-N 1 0 378.427 1.984 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001574918261 948842741 /nfs/dbraw/zinc/84/27/41/948842741.db2.gz HYAXROWGRPCTHP-HNNXBMFYSA-N 1 0 386.504 1.469 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574918961 948863763 /nfs/dbraw/zinc/86/37/63/948863763.db2.gz SCDMHBIVFKNRPO-GFCCVEGCSA-N 1 0 376.440 1.193 20 0 GDADRO C[C@H](CNC(=O)CCCn1ccnc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574918969 948863980 /nfs/dbraw/zinc/86/39/80/948863980.db2.gz SKLPMXJZCOVJPW-CYBMUJFWSA-N 1 0 386.435 1.277 20 0 GDADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001574082820 948868566 /nfs/dbraw/zinc/86/85/66/948868566.db2.gz KWVJPHCNRLADGR-YJBOKZPZSA-N 1 0 384.484 1.728 20 0 GDADRO CC(C)(C(=O)N1CCC(Nc2ncccc2-c2nn[nH]n2)CC1)[NH+]1CCCC1 ZINC001573763805 948874990 /nfs/dbraw/zinc/87/49/90/948874990.db2.gz IGMRJQSYYGMVRZ-UHFFFAOYSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574684750 948882175 /nfs/dbraw/zinc/88/21/75/948882175.db2.gz MAJMWBPNJYTWBQ-LLVKDONJSA-N 1 0 376.440 1.049 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920180 948889694 /nfs/dbraw/zinc/88/96/94/948889694.db2.gz FDGAKAPSKWKBQS-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574684916 948896401 /nfs/dbraw/zinc/89/64/01/948896401.db2.gz PEANZCPMJHONAL-BXUZGUMPSA-N 1 0 392.895 1.706 20 0 GDADRO CC(C)c1ncc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001574427844 948915053 /nfs/dbraw/zinc/91/50/53/948915053.db2.gz RXKCNZDZCFTKLX-LLVKDONJSA-N 1 0 384.469 1.590 20 0 GDADRO C[C@H](CNC(=O)CCc1cncs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574921118 948915184 /nfs/dbraw/zinc/91/51/84/948915184.db2.gz SOVIXYGCIPUTAF-LLVKDONJSA-N 1 0 391.526 1.954 20 0 GDADRO C[C@H](CNC(=O)CCc1cncs1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574921140 948918036 /nfs/dbraw/zinc/91/80/36/948918036.db2.gz TVKKSWIMRSNYJQ-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncs1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574921141 948919091 /nfs/dbraw/zinc/91/90/91/948919091.db2.gz TVKKSWIMRSNYJQ-NSHDSACASA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574433462 948957915 /nfs/dbraw/zinc/95/79/15/948957915.db2.gz OGHALYGNHXTCIH-ZDUSSCGKSA-N 1 0 382.472 1.632 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC001573773285 948979912 /nfs/dbraw/zinc/97/99/12/948979912.db2.gz JKDYLNYWSTUGIH-GFCCVEGCSA-N 1 0 386.378 1.022 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574925979 948981582 /nfs/dbraw/zinc/98/15/82/948981582.db2.gz FOCFBDBRIDXQJJ-QMMMGPOBSA-N 1 0 384.897 1.378 20 0 GDADRO CC(C)(C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573773571 948986718 /nfs/dbraw/zinc/98/67/18/948986718.db2.gz MEPDIPZQDWNLOU-UHFFFAOYSA-N 1 0 383.378 1.935 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCCC1 ZINC001573773759 948993828 /nfs/dbraw/zinc/99/38/28/948993828.db2.gz GWIUJXFMPFXFSN-MRXNPFEDSA-N 1 0 386.500 1.650 20 0 GDADRO CC(C)c1nnsc1C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574439874 949018477 /nfs/dbraw/zinc/01/84/77/949018477.db2.gz LCKBNPAUCMWBPS-JTQLQIEISA-N 1 0 387.473 1.231 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926747 949022775 /nfs/dbraw/zinc/02/27/75/949022775.db2.gz WPTUZIYJMZJDKW-NSHDSACASA-N 1 0 392.895 1.564 20 0 GDADRO CC(C)(C(=O)NC1CCN(c2ncccc2-c2nn[nH]n2)CC1)[NH+]1CCCC1 ZINC001573775097 949034746 /nfs/dbraw/zinc/03/47/46/949034746.db2.gz ZJLJZSYOBQGMHL-UHFFFAOYSA-N 1 0 384.488 1.221 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nn[nH]n1)[NH+](C)C ZINC001574694600 949083223 /nfs/dbraw/zinc/08/32/23/949083223.db2.gz SLXGHFYBADWSFN-BLLLJJGKSA-N 1 0 377.468 1.851 20 0 GDADRO CC(C)(C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+]1CCCC1 ZINC001573781073 949098196 /nfs/dbraw/zinc/09/81/96/949098196.db2.gz AZPUJVKDCTVGGT-UHFFFAOYSA-N 1 0 389.529 1.351 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001575251059 949125827 /nfs/dbraw/zinc/12/58/27/949125827.db2.gz KQCICGQKSUIRHC-QWHCGFSZSA-N 1 0 385.497 1.927 20 0 GDADRO C[C@@H](c1ccccc1)N1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514190 949163452 /nfs/dbraw/zinc/16/34/52/949163452.db2.gz BKMVUHQSIDTTNL-XJKSGUPXSA-N 1 0 381.440 1.387 20 0 GDADRO CC(C)c1ocnc1C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001574447649 949167212 /nfs/dbraw/zinc/16/72/12/949167212.db2.gz VXGBVDDKABETPZ-AWEZNQCLSA-N 1 0 384.444 1.662 20 0 GDADRO C[C@@H](CNC(=O)COc1ccsc1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574934781 949180966 /nfs/dbraw/zinc/18/09/66/949180966.db2.gz QNMUKAOYNQUKSD-ZDUSSCGKSA-N 1 0 386.481 1.944 20 0 GDADRO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575515880 949197331 /nfs/dbraw/zinc/19/73/31/949197331.db2.gz MEJGWXLMPSETPH-QWHCGFSZSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001575254483 949201361 /nfs/dbraw/zinc/20/13/61/949201361.db2.gz WHJRDKQZFMAXMJ-UONOGXRCSA-N 1 0 386.504 1.831 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574935635 949203388 /nfs/dbraw/zinc/20/33/88/949203388.db2.gz DVRWVEBOAVMQLU-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575254491 949208028 /nfs/dbraw/zinc/20/80/28/949208028.db2.gz WKMIMFDCKGKJEE-RYUDHWBXSA-N 1 0 390.467 1.580 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574936884 949218262 /nfs/dbraw/zinc/21/82/62/949218262.db2.gz LTLOTVMBGZIANS-LLVKDONJSA-N 1 0 387.394 1.724 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574937686 949228846 /nfs/dbraw/zinc/22/88/46/949228846.db2.gz POZNPDHMARSAHX-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574938168 949241427 /nfs/dbraw/zinc/24/14/27/949241427.db2.gz UCZHNSOPWMADEG-NSHDSACASA-N 1 0 387.394 1.377 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(c2cccnc2)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574701464 949260205 /nfs/dbraw/zinc/26/02/05/949260205.db2.gz APWHEUUCNGLVNF-HNNXBMFYSA-N 1 0 391.479 1.930 20 0 GDADRO CC(C)CC(=O)N1CCC[C@](CO)([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574107398 949281779 /nfs/dbraw/zinc/28/17/79/949281779.db2.gz IYINFNSGDZVWSS-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@]1(C)CCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574703126 949308069 /nfs/dbraw/zinc/30/80/69/949308069.db2.gz RIQMXFHSFMWGEE-XIKOKIGWSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)n1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001574455805 949314896 /nfs/dbraw/zinc/31/48/96/949314896.db2.gz ZMUUXQNTIUDYGT-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001574457165 949315589 /nfs/dbraw/zinc/31/55/89/949315589.db2.gz AUABUBBAGFMVBG-BETUJISGSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@H](CN(C)C(=O)C1CC(F)(F)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574703297 949321597 /nfs/dbraw/zinc/32/15/97/949321597.db2.gz AXGWITFFKLSZCM-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)n1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001574457766 949333367 /nfs/dbraw/zinc/33/33/67/949333367.db2.gz NVLABFXFVBBLHQ-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)n1cnc(C(=O)N(C)CC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001574464179 949397509 /nfs/dbraw/zinc/39/75/09/949397509.db2.gz IEIINUYREDCKPG-UHFFFAOYSA-N 1 0 382.472 1.848 20 0 GDADRO CC(C)n1cccc1C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574464247 949403037 /nfs/dbraw/zinc/40/30/37/949403037.db2.gz HOMQGBGCBMBGGP-MRXNPFEDSA-N 1 0 383.456 1.130 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCC1(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574704874 949409193 /nfs/dbraw/zinc/40/91/93/949409193.db2.gz FJBMVOZSQDCWEK-ZWNOBZJWSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575533535 949416966 /nfs/dbraw/zinc/41/69/66/949416966.db2.gz HAZQEFNDWDDMSK-QRWLVFNGSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574946236 949427980 /nfs/dbraw/zinc/42/79/80/949427980.db2.gz TUMGNXOREQUNBL-LLVKDONJSA-N 1 0 387.394 1.377 20 0 GDADRO C[C@]1(C(=O)N2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)CCOC1 ZINC001575534519 949428799 /nfs/dbraw/zinc/42/87/99/949428799.db2.gz NCIQCDCNJOKBGQ-SFHVURJKSA-N 1 0 390.513 1.683 20 0 GDADRO C[C@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575265846 949457459 /nfs/dbraw/zinc/45/74/59/949457459.db2.gz VUERLVBJPJLPSE-ZFWWWQNUSA-N 1 0 385.472 1.409 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCCCO1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574706797 949461888 /nfs/dbraw/zinc/46/18/88/949461888.db2.gz MWCKUFPTMOADMH-BLLLJJGKSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574708037 949482458 /nfs/dbraw/zinc/48/24/58/949482458.db2.gz SDRAQHSVNYNMIL-STQMWFEESA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCc2cccnc21)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711472 949539830 /nfs/dbraw/zinc/53/98/30/949539830.db2.gz HQIMPAHPGGMKTK-KSSFIOAISA-N 1 0 391.479 1.928 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574711473 949542890 /nfs/dbraw/zinc/54/28/90/949542890.db2.gz HQIMPAHPGGMKTK-RDTXWAMCSA-N 1 0 391.479 1.928 20 0 GDADRO C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575269202 949543663 /nfs/dbraw/zinc/54/36/63/949543663.db2.gz SBIWSIXWOJUGRT-ZIAGYGMSSA-N 1 0 385.472 1.288 20 0 GDADRO C[C@H](NC(=O)C[C@@H]1CCCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575269730 949560203 /nfs/dbraw/zinc/56/02/03/949560203.db2.gz WONXZFGMPHHJBW-JSGCOSHPSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(F)F)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576164902 949560897 /nfs/dbraw/zinc/56/08/97/949560897.db2.gz IFXGLFMEVBQAOK-QMTHXVAHSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574955091 949560776 /nfs/dbraw/zinc/56/07/76/949560776.db2.gz BBVKMAIQINOPIV-YHMZSZJBSA-N 1 0 386.431 1.024 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574955700 949565927 /nfs/dbraw/zinc/56/59/27/949565927.db2.gz CRNDEGNGPUCOLU-NQBHXWOUSA-N 1 0 392.895 1.420 20 0 GDADRO C[C@H](NC(=O)C[C@@H]1CCCCO1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575269922 949567940 /nfs/dbraw/zinc/56/79/40/949567940.db2.gz XHWBZTJNEGDEKR-YOEHRIQHSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)C[C@H](C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)n1ccnc1 ZINC001574124432 949569417 /nfs/dbraw/zinc/56/94/17/949569417.db2.gz HTLFYIMGYMSVKH-XJKSGUPXSA-N 1 0 383.460 1.084 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)COCC1CC1 ZINC001573810776 949576192 /nfs/dbraw/zinc/57/61/92/949576192.db2.gz CLPUASGMIZGHKE-HNNXBMFYSA-N 1 0 392.529 1.975 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1CCCOC1 ZINC001573810772 949577200 /nfs/dbraw/zinc/57/72/00/949577200.db2.gz CFOVEYWAGCRPEL-IRXDYDNUSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ncc[nH]1 ZINC001573810847 949579898 /nfs/dbraw/zinc/57/98/98/949579898.db2.gz DWCWEFHQNNSICP-CQSZACIVSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOC1 ZINC001573811185 949595004 /nfs/dbraw/zinc/59/50/04/949595004.db2.gz IPXUYGXPYGAGBH-NVXWUHKLSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H](NC(=O)CC[C@@H]1CCCO1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575270574 949595471 /nfs/dbraw/zinc/59/54/71/949595471.db2.gz DVMXJFUWMGGRHU-YOEHRIQHSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574713205 949597744 /nfs/dbraw/zinc/59/77/44/949597744.db2.gz WKFIUISZYZRBQW-SMDDNHRTSA-N 1 0 388.451 1.001 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574713708 949608703 /nfs/dbraw/zinc/60/87/03/949608703.db2.gz BIXFJNIYAWBKBV-STQMWFEESA-N 1 0 375.452 1.606 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1ccnc1 ZINC001573812260 949616119 /nfs/dbraw/zinc/61/61/19/949616119.db2.gz RCGWEVJSCFPFBR-MRXNPFEDSA-N 1 0 382.472 1.384 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574714097 949623841 /nfs/dbraw/zinc/62/38/41/949623841.db2.gz CBHJZHMNMFWZPD-CHWSQXEVSA-N 1 0 378.502 1.824 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cnoc1 ZINC001573812851 949625059 /nfs/dbraw/zinc/62/50/59/949625059.db2.gz VOKLEUPIMRQKES-INIZCTEOSA-N 1 0 383.456 1.718 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CCCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574714502 949630082 /nfs/dbraw/zinc/63/00/82/949630082.db2.gz DSVNPMBUMYAMHL-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](Nc1ccc(-c2nn[nH]n2)cn1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001575272994 949654834 /nfs/dbraw/zinc/65/48/34/949654834.db2.gz UHDGVPZHIQXGAC-CABCVRRESA-N 1 0 386.504 1.833 20 0 GDADRO C[C@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575273256 949660324 /nfs/dbraw/zinc/66/03/24/949660324.db2.gz UZSQQXVNEPFFCF-KBPBESRZSA-N 1 0 380.456 1.407 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574715755 949667071 /nfs/dbraw/zinc/66/70/71/949667071.db2.gz GEOQZQFZYKXFET-XJKSGUPXSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CN(C)C(=O)CC1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574715986 949675957 /nfs/dbraw/zinc/67/59/57/949675957.db2.gz GTQRGRBGLNPBHX-LBPRGKRZSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@H]1[C@H](NC(=O)CN2CCCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575878334 949681955 /nfs/dbraw/zinc/68/19/55/949681955.db2.gz OOWQVKTZTZCIOH-MAUKXSAKSA-N 1 0 383.500 1.432 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574958960 949699875 /nfs/dbraw/zinc/69/98/75/949699875.db2.gz ORNPJMFJQZPWCA-VCTAVGKDSA-N 1 0 384.419 1.127 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C[NH2+]Cc1cnns1 ZINC001576170505 949719567 /nfs/dbraw/zinc/71/95/67/949719567.db2.gz LOHADJLHJKVXAH-YGRLFVJLSA-N 1 0 387.473 1.077 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574959821 949721110 /nfs/dbraw/zinc/72/11/10/949721110.db2.gz USFBVFBWLHYOLD-KCPJHIHWSA-N 1 0 384.415 1.997 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H](C)n1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574717095 949724602 /nfs/dbraw/zinc/72/46/02/949724602.db2.gz UGJMTNWTTSTTAP-STQMWFEESA-N 1 0 388.501 1.713 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@]1(C)CCOC1 ZINC001575557738 949726497 /nfs/dbraw/zinc/72/64/97/949726497.db2.gz MEGBVLXJSYZVHR-OXQOHEQNSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576171011 949743483 /nfs/dbraw/zinc/74/34/83/949743483.db2.gz ONZIRWYTOCSALS-ZBFHGGJFSA-N 1 0 384.488 1.397 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@]1(C)CCOC1 ZINC001575558512 949743919 /nfs/dbraw/zinc/74/39/19/949743919.db2.gz QJAVGPMGDZMIAI-UZLBHIALSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1(F)CCOCC1 ZINC001573818964 949744635 /nfs/dbraw/zinc/74/46/35/949744635.db2.gz PTELIAIDKGOWGL-CQSZACIVSA-N 1 0 391.451 1.145 20 0 GDADRO C[C@@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CCCOC1 ZINC001575559191 949750699 /nfs/dbraw/zinc/75/06/99/949750699.db2.gz VCKURGICFCWLEM-FXAWDEMLSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](CN(C)C(=O)CC1(O)CCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574718284 949772453 /nfs/dbraw/zinc/77/24/53/949772453.db2.gz ZRHZANOIJISKFE-GFCCVEGCSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574718332 949775410 /nfs/dbraw/zinc/77/54/10/949775410.db2.gz ZYKUYZMNOWKAEF-APPDUMDISA-N 1 0 378.502 1.416 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1ccnc1 ZINC001574481405 949780537 /nfs/dbraw/zinc/78/05/37/949780537.db2.gz PJUGADHSXCBAID-RHSMWYFYSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](NC(=O)CCc1cccnc1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575279762 949788466 /nfs/dbraw/zinc/78/84/66/949788466.db2.gz ZPNFTXGBIYANEP-HNNXBMFYSA-N 1 0 391.479 1.831 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[nH]n2)nn1 ZINC001576172078 949789919 /nfs/dbraw/zinc/78/99/19/949789919.db2.gz UOKLIXOPBBYEMI-ZFWWWQNUSA-N 1 0 387.492 1.036 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[nH]n2)nn1 ZINC001576172072 949790069 /nfs/dbraw/zinc/79/00/69/949790069.db2.gz UOKLIXOPBBYEMI-DZGCQCFKSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1cncc(-c2nn[nH]n2)n1 ZINC001576172064 949791272 /nfs/dbraw/zinc/79/12/72/949791272.db2.gz UMZKSILVGFZCRF-DZGCQCFKSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@@H](CN(C)C(=O)CCCn1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574720701 949800099 /nfs/dbraw/zinc/80/00/99/949800099.db2.gz GCSNNTDIHXECPF-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ccncc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574721764 949820565 /nfs/dbraw/zinc/82/05/65/949820565.db2.gz NQWICSLHIFIKJA-HNNXBMFYSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ccncn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574721893 949828037 /nfs/dbraw/zinc/82/80/37/949828037.db2.gz OXJWCZOYRXSBKC-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC[N@@H+]1CCC1CCOCC1 ZINC001575883841 949830474 /nfs/dbraw/zinc/83/04/74/949830474.db2.gz SPCPFECGMYSCHW-CJNGLKHVSA-N 1 0 387.488 1.594 20 0 GDADRO C[C@@H](CN(C)C(=O)CCCn1cccn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574722679 949842462 /nfs/dbraw/zinc/84/24/62/949842462.db2.gz VJWDVYHKWWYDTB-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO CC(C)C[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001574142374 949867373 /nfs/dbraw/zinc/86/73/73/949867373.db2.gz YGIAOEGKRFRSDP-QGTPRVQTSA-N 1 0 386.500 1.600 20 0 GDADRO CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574142989 949881991 /nfs/dbraw/zinc/88/19/91/949881991.db2.gz DPINUKDNQWRBFL-KKUMJFAQSA-N 1 0 387.488 1.584 20 0 GDADRO CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCOCC1 ZINC001574142976 949882719 /nfs/dbraw/zinc/88/27/19/949882719.db2.gz DIECCDRYZYDGKS-AWEZNQCLSA-N 1 0 389.504 1.746 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1cncnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574725025 949886798 /nfs/dbraw/zinc/88/67/98/949886798.db2.gz NPRMSZLOKBJZLB-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1C[NH2+]Cc1nccs1 ZINC001576178634 949891906 /nfs/dbraw/zinc/89/19/06/949891906.db2.gz CICVQRJIOHDEEF-SMDDNHRTSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1cncs1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574725321 949898103 /nfs/dbraw/zinc/89/81/03/949898103.db2.gz RRAHGKLQAWLVIJ-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO CC(C)(C)/C=C/C(=O)N1CCCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573826012 949898053 /nfs/dbraw/zinc/89/80/53/949898053.db2.gz DWESNQQPXNAKKG-HZRUHFOJSA-N 1 0 385.472 1.315 20 0 GDADRO C[C@H](CNC(=O)c1c(F)cncc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574968881 949913787 /nfs/dbraw/zinc/91/37/87/949913787.db2.gz UWSOGWYLIPUNKI-SECBINFHSA-N 1 0 391.357 1.587 20 0 GDADRO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001576179587 949922962 /nfs/dbraw/zinc/92/29/62/949922962.db2.gz AXMPHNBEDMSOMA-TZMCWYRMSA-N 1 0 390.467 1.249 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576180437 949955214 /nfs/dbraw/zinc/95/52/14/949955214.db2.gz HVQWSNCYADFVEV-CXAGYDPISA-N 1 0 381.440 1.885 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576180450 949957641 /nfs/dbraw/zinc/95/76/41/949957641.db2.gz HZJMLFDWKDJRRU-GXFFZTMASA-N 1 0 388.457 1.342 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576180602 949965253 /nfs/dbraw/zinc/96/52/53/949965253.db2.gz PGJKBLJCLOYMEO-DOMZBBRYSA-N 1 0 381.444 1.015 20 0 GDADRO CC1(C(=O)NC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC(F)(F)C1 ZINC001575572097 949970538 /nfs/dbraw/zinc/97/05/38/949970538.db2.gz DFIPHIYQIMYHIV-CYBMUJFWSA-N 1 0 377.399 1.426 20 0 GDADRO C[C@@H](NC(=O)CCn1ccnc1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575286264 949976209 /nfs/dbraw/zinc/97/62/09/949976209.db2.gz VGIPYMQXXYXWSR-CQSZACIVSA-N 1 0 380.456 1.090 20 0 GDADRO CC(C)(C)CC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573831103 949991772 /nfs/dbraw/zinc/99/17/72/949991772.db2.gz SWRSDRCMJYVPDX-UHFFFAOYSA-N 1 0 392.529 1.808 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@]1(F)CCOC1 ZINC001574150607 950032658 /nfs/dbraw/zinc/03/26/58/950032658.db2.gz CHIMQIKPHXOMOV-QFBILLFUSA-N 1 0 390.463 1.616 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574731320 950045496 /nfs/dbraw/zinc/04/54/96/950045496.db2.gz CPNGNBIUDOCENA-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC001576182400 950049604 /nfs/dbraw/zinc/04/96/04/950049604.db2.gz ZIUAFSCOPYRUKL-VXGBXAGGSA-N 1 0 382.465 1.405 20 0 GDADRO CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCCC1 ZINC001575575459 950049562 /nfs/dbraw/zinc/04/95/62/950049562.db2.gz JIUUTJKPTSOKFD-CQSZACIVSA-N 1 0 390.463 1.543 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cnccn1 ZINC001574151041 950052180 /nfs/dbraw/zinc/05/21/80/950052180.db2.gz JXLXCMBPIZUMGP-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(F)cn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151062 950054882 /nfs/dbraw/zinc/05/48/82/950054882.db2.gz KIZQWIDSGSMCOZ-HNNXBMFYSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCOC1 ZINC001574151261 950066289 /nfs/dbraw/zinc/06/62/89/950066289.db2.gz OIIOUSRSHNLWER-CJNGLKHVSA-N 1 0 390.463 1.663 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@]1(C)CCOC1 ZINC001574151333 950071108 /nfs/dbraw/zinc/07/11/08/950071108.db2.gz PJNGQSOSDCXHHO-YLJYHZDGSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1ncc[nH]1 ZINC001574151303 950071274 /nfs/dbraw/zinc/07/12/74/950071274.db2.gz OZHWZMVLXPSPKJ-MRXNPFEDSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@@]1(C(=O)NCC2([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CCC2)CCOC1 ZINC001575576561 950072565 /nfs/dbraw/zinc/07/25/65/950072565.db2.gz RELWMVDRRCDQTE-GOSISDBHSA-N 1 0 388.447 1.561 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ncccn1 ZINC001574151441 950074907 /nfs/dbraw/zinc/07/49/07/950074907.db2.gz REXJAMPHRKHTCD-LBPRGKRZSA-N 1 0 386.485 1.653 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1CCOCC1 ZINC001574151647 950088078 /nfs/dbraw/zinc/08/80/78/950088078.db2.gz XAKDKVBLFONJDB-CQSZACIVSA-N 1 0 392.529 1.975 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cncnc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575893963 950093946 /nfs/dbraw/zinc/09/39/46/950093946.db2.gz CBBNGNXPVNJWFO-DYVFJYSZSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cncnc2)[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576183740 950102052 /nfs/dbraw/zinc/10/20/52/950102052.db2.gz UHVWAWKUSIIAIJ-KDOFPFPSSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576183867 950106089 /nfs/dbraw/zinc/10/60/89/950106089.db2.gz RTCBIDAQLHKGRV-VXGBXAGGSA-N 1 0 379.415 1.625 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574733688 950120391 /nfs/dbraw/zinc/12/03/91/950120391.db2.gz GAAXYRXQPHTJAO-VBNZEHGJSA-N 1 0 395.442 1.885 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001576184446 950133813 /nfs/dbraw/zinc/13/38/13/950133813.db2.gz VSNCQZJLLHKFPW-CABCVRRESA-N 1 0 386.504 1.498 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ccnn1C ZINC001574153225 950135590 /nfs/dbraw/zinc/13/55/90/950135590.db2.gz PNLKDGAAEKGIQK-MRXNPFEDSA-N 1 0 382.472 1.535 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cnoc1 ZINC001574153679 950150186 /nfs/dbraw/zinc/15/01/86/950150186.db2.gz VVHGGTGRCULJKX-QGZVFWFLSA-N 1 0 383.456 1.718 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cncnc1 ZINC001574153750 950154075 /nfs/dbraw/zinc/15/40/75/950154075.db2.gz WSQCYFIGEDZYTN-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575583963 950158247 /nfs/dbraw/zinc/15/82/47/950158247.db2.gz OAEAUIWLUARFDZ-SVGDTCPJSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576190889 950175086 /nfs/dbraw/zinc/17/50/86/950175086.db2.gz CJCPWTDKCVIQLU-RYUDHWBXSA-N 1 0 376.440 1.001 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574982724 950180583 /nfs/dbraw/zinc/18/05/83/950180583.db2.gz GXOGYTZANQZRMC-LBPRGKRZSA-N 1 0 380.456 1.718 20 0 GDADRO CC(C)(C)CCC[NH2+][C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573844273 950187174 /nfs/dbraw/zinc/18/71/74/950187174.db2.gz DMICOEGBZWVNDI-LJQANCHMSA-N 1 0 389.504 1.578 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2csnn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575900062 950187975 /nfs/dbraw/zinc/18/79/75/950187975.db2.gz BOBONKGWSLVSMH-SMDDNHRTSA-N 1 0 384.469 1.501 20 0 GDADRO C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C[NH2+]Cc1ccccn1 ZINC001576191223 950189010 /nfs/dbraw/zinc/18/90/10/950189010.db2.gz HCCJAHVBOCECRM-DZGCQCFKSA-N 1 0 380.456 1.478 20 0 GDADRO CC(C)(C)CC[N@H+](CCO)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573844558 950199375 /nfs/dbraw/zinc/19/93/75/950199375.db2.gz KCIJHXZPMWYXND-UHFFFAOYSA-N 1 0 389.504 1.530 20 0 GDADRO C[C@H](CN(C)C(=O)c1c(F)cncc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574740214 950224584 /nfs/dbraw/zinc/22/45/84/950224584.db2.gz CCPUAYKPVBAAJW-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO CC1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CCOCC1 ZINC001575587147 950227246 /nfs/dbraw/zinc/22/72/46/950227246.db2.gz LOQFIJYVBBCBBC-CYBMUJFWSA-N 1 0 390.513 1.683 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccco1 ZINC001574497715 950236286 /nfs/dbraw/zinc/23/62/86/950236286.db2.gz BOLICPUNASISEF-DZGCQCFKSA-N 1 0 384.440 1.220 20 0 GDADRO CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573846624 950249015 /nfs/dbraw/zinc/24/90/15/950249015.db2.gz TVXQVCBLXKRSLN-RRFJBIMHSA-N 1 0 399.499 1.395 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ccnn1C ZINC001575902492 950258380 /nfs/dbraw/zinc/25/83/80/950258380.db2.gz VROGRTFUVJSRDJ-XHDPSFHLSA-N 1 0 384.419 1.132 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCOCC1 ZINC001574157870 950259262 /nfs/dbraw/zinc/25/92/62/950259262.db2.gz KJMZFIXKMDYRIP-GJZGRUSLSA-N 1 0 387.488 1.443 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ccncn1 ZINC001575902850 950268041 /nfs/dbraw/zinc/26/80/41/950268041.db2.gz XKLSVZSRQFESQE-NHYWBVRUSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2ncccn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575903379 950279171 /nfs/dbraw/zinc/27/91/71/950279171.db2.gz ZSWYOQNPOUUJEX-BBRMVZONSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@H](CC(=O)NC[C@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001574498857 950290489 /nfs/dbraw/zinc/29/04/89/950290489.db2.gz QLNIPQHWNMMUOB-JLTOFOAXSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ncccc1O ZINC001575905451 950295333 /nfs/dbraw/zinc/29/53/33/950295333.db2.gz CNCOQKSAVWUZPK-SWLSCSKDSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1ccoc1 ZINC001575905485 950295593 /nfs/dbraw/zinc/29/55/93/950295593.db2.gz DDQUNTDARUZCDD-PXAZEXFGSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cncnc2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576193372 950298919 /nfs/dbraw/zinc/29/89/19/950298919.db2.gz UEVAJEKWQPFJTD-KDOFPFPSSA-N 1 0 392.467 1.545 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cscn1 ZINC001575905698 950300195 /nfs/dbraw/zinc/30/01/95/950300195.db2.gz DHQTXDWJQDFFSY-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575906024 950303049 /nfs/dbraw/zinc/30/30/49/950303049.db2.gz FZHMHCQEWMSWKD-ZUZCIYMTSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cnon2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576193653 950307085 /nfs/dbraw/zinc/30/70/85/950307085.db2.gz VDUDVYIWGJCNAB-OCCSQVGLSA-N 1 0 382.428 1.138 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cccn1C ZINC001575907158 950324320 /nfs/dbraw/zinc/32/43/20/950324320.db2.gz LYVPIJVDRMGULV-MLGOLLRUSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)C1=CCOCC1 ZINC001575907193 950329081 /nfs/dbraw/zinc/32/90/81/950329081.db2.gz MMWZEHXGTVQJPK-SJCJKPOMSA-N 1 0 386.431 1.432 20 0 GDADRO C[C@@H](CC(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574501426 950333832 /nfs/dbraw/zinc/33/38/32/950333832.db2.gz DAPFCNLJZGPQOQ-GWQWAINWSA-N 1 0 380.456 1.477 20 0 GDADRO CC(C)C[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574160262 950336231 /nfs/dbraw/zinc/33/62/31/950336231.db2.gz MRXYTXZRPHWBGS-GJZGRUSLSA-N 1 0 386.504 1.546 20 0 GDADRO CC1(C(=O)NCCN2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC001575594930 950341713 /nfs/dbraw/zinc/34/17/13/950341713.db2.gz VZQVAYGCYMAGLB-UHFFFAOYSA-N 1 0 383.500 1.337 20 0 GDADRO CC1CC[NH+](CC(=O)N(C)CCNc2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC001576196242 950353144 /nfs/dbraw/zinc/35/31/44/950353144.db2.gz BNRUTWXSOPKGDH-UHFFFAOYSA-N 1 0 392.895 1.517 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575908236 950357329 /nfs/dbraw/zinc/35/73/29/950357329.db2.gz SWOZAZYJSPUAHJ-CXAGYDPISA-N 1 0 392.467 1.402 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cccnn1 ZINC001575908292 950359259 /nfs/dbraw/zinc/35/92/59/950359259.db2.gz UCGGNANQINFSKB-ABAIWWIYSA-N 1 0 382.403 1.189 20 0 GDADRO CC(C)C[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574162091 950374039 /nfs/dbraw/zinc/37/40/39/950374039.db2.gz YYEZMANTVMOZJJ-CQSZACIVSA-N 1 0 386.504 1.689 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1csnn1 ZINC001575908618 950375125 /nfs/dbraw/zinc/37/51/25/950375125.db2.gz VUOMSNVOPAOPNK-TVQRCGJNSA-N 1 0 388.432 1.250 20 0 GDADRO CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573856599 950388770 /nfs/dbraw/zinc/38/87/70/950388770.db2.gz FLLMGYLLVUEMTG-LLVKDONJSA-N 1 0 380.474 1.654 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1cncs1 ZINC001575909354 950394405 /nfs/dbraw/zinc/39/44/05/950394405.db2.gz YWHKKGYJWOPRDV-GWCFXTLKSA-N 1 0 389.510 1.706 20 0 GDADRO CC(C)CC1(C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001574162647 950396863 /nfs/dbraw/zinc/39/68/63/950396863.db2.gz GFUQARKCBXMOHW-UHFFFAOYSA-N 1 0 387.488 1.133 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccccc1O ZINC001575909881 950409272 /nfs/dbraw/zinc/40/92/72/950409272.db2.gz ITENSGSMLATVTG-SUMWQHHRSA-N 1 0 378.436 1.965 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cccc(F)c1F ZINC001574747241 950411279 /nfs/dbraw/zinc/41/12/79/950411279.db2.gz SLTNRHHKAWFQOW-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCn1cccc1 ZINC001575910059 950411689 /nfs/dbraw/zinc/41/16/89/950411689.db2.gz JHGIYEGZJHPSQY-CRAIPNDOSA-N 1 0 379.468 1.838 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001576202554 950428701 /nfs/dbraw/zinc/42/87/01/950428701.db2.gz AVJMSHZKQUGYCA-INIZCTEOSA-N 1 0 384.488 1.079 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCN(Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC001576202483 950430362 /nfs/dbraw/zinc/43/03/62/950430362.db2.gz ACRLUYCPSIVRTF-UHFFFAOYSA-N 1 0 383.500 1.243 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575912217 950461632 /nfs/dbraw/zinc/46/16/32/950461632.db2.gz QPZQOCDMRHRPML-IUODEOHRSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ccccc1O ZINC001575912912 950467929 /nfs/dbraw/zinc/46/79/29/950467929.db2.gz RNGJHTHDWOZSFX-DYVFJYSZSA-N 1 0 378.436 1.965 20 0 GDADRO C[C@H](CC(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccncc1 ZINC001574508131 950471059 /nfs/dbraw/zinc/47/10/59/950471059.db2.gz JECUGYTYYLOJTB-CYBMUJFWSA-N 1 0 383.431 1.800 20 0 GDADRO CC1CC[NH+](CC(=O)NC2CC(CNc3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001576204945 950488969 /nfs/dbraw/zinc/48/89/69/950488969.db2.gz SPAMFKJHIPLOMY-UHFFFAOYSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@H]1[C@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575914440 950489703 /nfs/dbraw/zinc/48/97/03/950489703.db2.gz KXUZRBWQXXPFPQ-XJKSGUPXSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001576205285 950507050 /nfs/dbraw/zinc/50/70/50/950507050.db2.gz WMUFLFXKKOTTIW-KGLIPLIRSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574999463 950580987 /nfs/dbraw/zinc/58/09/87/950580987.db2.gz KLGSFZZXBXFWGS-GFCCVEGCSA-N 1 0 380.456 1.718 20 0 GDADRO CC(C)CCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574173038 950587292 /nfs/dbraw/zinc/58/72/92/950587292.db2.gz DTYZQCPRMUNTCL-INIZCTEOSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576207127 950590235 /nfs/dbraw/zinc/59/02/35/950590235.db2.gz CQOBEBVMNZRGNJ-YRGRVCCFSA-N 1 0 388.451 1.049 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576207395 950592727 /nfs/dbraw/zinc/59/27/27/950592727.db2.gz GWQGXKPJSJWAEL-LBPRGKRZSA-N 1 0 392.895 1.564 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001573870536 950594269 /nfs/dbraw/zinc/59/42/69/950594269.db2.gz HSPVXRXFBMCYLG-GFCCVEGCSA-N 1 0 378.502 1.824 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575918773 950598782 /nfs/dbraw/zinc/59/87/82/950598782.db2.gz FAXZHTFPEZAUFK-ACJLOTCBSA-N 1 0 389.463 1.500 20 0 GDADRO CC(C)(C)OCC(=O)NCC1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573870583 950600868 /nfs/dbraw/zinc/60/08/68/950600868.db2.gz JFCKMEAZDJRVRN-UHFFFAOYSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)n(C)n1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575000807 950611095 /nfs/dbraw/zinc/61/10/95/950611095.db2.gz FUOCDPBSKJYDOU-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccnc(C2CC2)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574758529 950613204 /nfs/dbraw/zinc/61/32/04/950613204.db2.gz CQMVASGSTYQHGF-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573871810 950626553 /nfs/dbraw/zinc/62/65/53/950626553.db2.gz XBFMGMAUSBHHRJ-CQSZACIVSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575001512 950636294 /nfs/dbraw/zinc/63/62/94/950636294.db2.gz MAWPQDNEDOQJKW-LLVKDONJSA-N 1 0 383.431 1.731 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573873713 950657953 /nfs/dbraw/zinc/65/79/53/950657953.db2.gz ZZVOCBIFJKQHSK-NNUKFRKNSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cccc1 ZINC001574518706 950659429 /nfs/dbraw/zinc/65/94/29/950659429.db2.gz PWIRJLWXOQALIP-QKUWSGOFSA-N 1 0 391.479 1.866 20 0 GDADRO C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575002591 950664591 /nfs/dbraw/zinc/66/45/91/950664591.db2.gz VQGBEIICXKNZOX-SECBINFHSA-N 1 0 375.795 1.707 20 0 GDADRO C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575003118 950672275 /nfs/dbraw/zinc/67/22/75/950672275.db2.gz YCCQHKVFCNHZJE-LLVKDONJSA-N 1 0 383.431 1.731 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574761029 950693480 /nfs/dbraw/zinc/69/34/80/950693480.db2.gz QJUAXMTWHRSNEW-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1ccco1 ZINC001574519734 950694892 /nfs/dbraw/zinc/69/48/92/950694892.db2.gz YEKVVFXWEFOZAU-IUWMUCMRSA-N 1 0 379.424 1.599 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575926168 950699699 /nfs/dbraw/zinc/69/96/99/950699699.db2.gz JCDWYJVBOWASJW-PSASIEDQSA-N 1 0 389.370 1.059 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccncc1Cl ZINC001575926307 950705682 /nfs/dbraw/zinc/70/56/82/950705682.db2.gz JDMRQGXDRNJHCG-HZMBPMFUSA-N 1 0 384.831 1.447 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573878472 950710588 /nfs/dbraw/zinc/71/05/88/950710588.db2.gz QCGAFIYJYWCTMN-UMVBOHGHSA-N 1 0 390.463 1.255 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573878623 950719562 /nfs/dbraw/zinc/71/95/62/950719562.db2.gz XCVAJJGRHSEWHV-RAIGVLPGSA-N 1 0 378.502 1.177 20 0 GDADRO CC1(C)CC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001575629019 950728718 /nfs/dbraw/zinc/72/87/18/950728718.db2.gz IRNPEXZTKOPZOX-KBPBESRZSA-N 1 0 390.513 1.416 20 0 GDADRO CC(C)CCC(=O)NCC[NH+]1CCC(Nc2nccnc2-c2nn[nH]n2)CC1 ZINC001574180903 950736867 /nfs/dbraw/zinc/73/68/67/950736867.db2.gz ZFNJDFRKQDFISO-UHFFFAOYSA-N 1 0 387.492 1.085 20 0 GDADRO CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)[nH]n1 ZINC001573880120 950740096 /nfs/dbraw/zinc/74/00/96/950740096.db2.gz SNNSMIJIOKIRFW-XYPYZODXSA-N 1 0 381.444 1.077 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C1=COCCO1 ZINC001574520857 950757099 /nfs/dbraw/zinc/75/70/99/950757099.db2.gz ANJOWZBOECJNKL-NWDGAFQWSA-N 1 0 390.419 1.267 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1cnoc1 ZINC001574521290 950773459 /nfs/dbraw/zinc/77/34/59/950773459.db2.gz DXOSSKYZQWYOJI-RYUDHWBXSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1cnoc1 ZINC001574521291 950776663 /nfs/dbraw/zinc/77/66/63/950776663.db2.gz DXOSSKYZQWYOJI-VXGBXAGGSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1ccon1 ZINC001574521405 950779420 /nfs/dbraw/zinc/77/94/20/950779420.db2.gz FWXNKSQDTRDCIL-RYUDHWBXSA-N 1 0 387.419 1.609 20 0 GDADRO CC(C)C(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001576218365 950786463 /nfs/dbraw/zinc/78/64/63/950786463.db2.gz LOMOAPUFEHSRBF-MGPUTAFESA-N 1 0 384.484 1.715 20 0 GDADRO C[C@H](C[N@H+](C)C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765521 950791501 /nfs/dbraw/zinc/79/15/01/950791501.db2.gz DGLCIKHUHHSQBS-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncnc2[nH]ccc21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574765549 950794113 /nfs/dbraw/zinc/79/41/13/950794113.db2.gz DXASFJKUJKTBDO-GFCCVEGCSA-N 1 0 391.439 1.340 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cccnc1 ZINC001574522518 950795126 /nfs/dbraw/zinc/79/51/26/950795126.db2.gz JWCCGYUSQPHKLN-STQMWFEESA-N 1 0 385.497 1.939 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1cnoc1 ZINC001574522581 950799024 /nfs/dbraw/zinc/79/90/24/950799024.db2.gz KYWSTRVCLPJGCG-RYUDHWBXSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CCc1c(F)cccc1F ZINC001575010129 950815650 /nfs/dbraw/zinc/81/56/50/950815650.db2.gz BAGTVDCPEBQHEA-NSHDSACASA-N 1 0 389.410 1.766 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CCOc1cccc(F)c1 ZINC001575010649 950829071 /nfs/dbraw/zinc/82/90/71/950829071.db2.gz HTSHMICUMCCJKM-GFCCVEGCSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cn1cccn1 ZINC001574523859 950834004 /nfs/dbraw/zinc/83/40/04/950834004.db2.gz RLBDQVLVOXIKTH-STQMWFEESA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cn1cccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574523857 950837438 /nfs/dbraw/zinc/83/74/38/950837438.db2.gz RLBDQVLVOXIKTH-OLZOCXBDSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1ccn(C)n1 ZINC001574524396 950855084 /nfs/dbraw/zinc/85/50/84/950855084.db2.gz WFRVNMGYUBDKLY-KBPBESRZSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cnn(C)c1 ZINC001574524444 950857350 /nfs/dbraw/zinc/85/73/50/950857350.db2.gz WKOJJCUNIALMPC-KBPBESRZSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccc(=O)[nH]n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574527488 950891986 /nfs/dbraw/zinc/89/19/86/950891986.db2.gz CJWHZIBJQZMXRU-NEPJUHHUSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@@H](CN(C)C(=O)c1csc(Cl)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574768593 950895575 /nfs/dbraw/zinc/89/55/75/950895575.db2.gz ZPUGWMXIYOEEDR-VIFPVBQESA-N 1 0 377.861 1.971 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cn(C)cn1 ZINC001574527883 950913589 /nfs/dbraw/zinc/91/35/89/950913589.db2.gz IHLYHRCMKHLGGL-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cn(C)cn1 ZINC001574527882 950915764 /nfs/dbraw/zinc/91/57/64/950915764.db2.gz IHLYHRCMKHLGGL-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[N@H+](C)CCOc1cccc(F)c1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771374 950917030 /nfs/dbraw/zinc/91/70/30/950917030.db2.gz CNOBSLPIJCFDGG-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574528010 950917433 /nfs/dbraw/zinc/91/74/33/950917433.db2.gz JTJFDBJXTLYEMC-RYUDHWBXSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCOC1 ZINC001574771896 950947050 /nfs/dbraw/zinc/94/70/50/950947050.db2.gz MIPQYTRALXOUKC-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)(CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001573897268 950954686 /nfs/dbraw/zinc/95/46/86/950954686.db2.gz OBKROIJEEYDSFE-AWEZNQCLSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cncnc1 ZINC001574530039 950969194 /nfs/dbraw/zinc/96/91/94/950969194.db2.gz SPJGDIZPZROUBZ-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001575017027 950974259 /nfs/dbraw/zinc/97/42/59/950974259.db2.gz GGSXVTNUASUNSN-UONOGXRCSA-N 1 0 379.468 1.708 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001575938764 950990276 /nfs/dbraw/zinc/99/02/76/950990276.db2.gz NCNDNFYSHKRUIB-ZIAGYGMSSA-N 1 0 387.488 1.395 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575644788 950997897 /nfs/dbraw/zinc/99/78/97/950997897.db2.gz XSBZQVGAUNFQNJ-JXFKEZNVSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)COC1CCCC1 ZINC001574773984 950998157 /nfs/dbraw/zinc/99/81/57/950998157.db2.gz AJYLDLKJISSKDE-ZDUSSCGKSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@H]1CCCCO1 ZINC001574774442 951002401 /nfs/dbraw/zinc/00/24/01/951002401.db2.gz CNLMVFCDILGWAT-DZGCQCFKSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575025823 951133962 /nfs/dbraw/zinc/13/39/62/951133962.db2.gz BILXYIIJJHFKOM-ZDUSSCGKSA-N 1 0 380.456 1.554 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1CCOC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575027601 951161254 /nfs/dbraw/zinc/16/12/54/951161254.db2.gz GYNVVVUDDZMPLT-CQSZACIVSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@H](CNC(=O)c1cccc(N(C)C)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575028139 951170308 /nfs/dbraw/zinc/17/03/08/951170308.db2.gz LDZHKPAZXYIPNX-CQSZACIVSA-N 1 0 379.468 1.841 20 0 GDADRO C[C@H](CNC(=O)c1ccn(CC(F)F)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575035128 951268022 /nfs/dbraw/zinc/26/80/22/951268022.db2.gz GLZIZJFPXITUDN-LLVKDONJSA-N 1 0 390.398 1.236 20 0 GDADRO C[C@@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575035268 951269050 /nfs/dbraw/zinc/26/90/50/951269050.db2.gz VEGQDRJWRLXYKD-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1Cl)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575044378 951412502 /nfs/dbraw/zinc/41/25/02/951412502.db2.gz ZHEKKUHXSZEUQH-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575046280 951438220 /nfs/dbraw/zinc/43/82/20/951438220.db2.gz MIMAKVQALDKIQW-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575046942 951451085 /nfs/dbraw/zinc/45/10/85/951451085.db2.gz VJCGXAKKEMOUKZ-ZDUSSCGKSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)c1cncs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575052336 951460686 /nfs/dbraw/zinc/46/06/86/951460686.db2.gz GQZUZANBVNLBNO-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575054099 951486403 /nfs/dbraw/zinc/48/64/03/951486403.db2.gz VQINDFVHVLFIIQ-CYBMUJFWSA-N 1 0 382.472 1.726 20 0 GDADRO C[C@@H](CNC(=O)c1conc1C1CC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575055853 951514168 /nfs/dbraw/zinc/51/41/68/951514168.db2.gz ASNKMVJYHYYLCV-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C2CC2)n1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575057851 951531839 /nfs/dbraw/zinc/53/18/39/951531839.db2.gz RPMKUEAYCLGLMZ-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575065258 951581376 /nfs/dbraw/zinc/58/13/76/951581376.db2.gz ASASJHYZINBYMC-NSHDSACASA-N 1 0 384.444 1.802 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1F)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575066109 951593292 /nfs/dbraw/zinc/59/32/92/951593292.db2.gz FLRLXYNLHBJOFX-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077067 951660200 /nfs/dbraw/zinc/66/02/00/951660200.db2.gz BMUIQRODMJDCLE-JSGCOSHPSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077134 951662907 /nfs/dbraw/zinc/66/29/07/951662907.db2.gz CYOVSACTWAJTSC-CWTRNNRKSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575077270 951666238 /nfs/dbraw/zinc/66/62/38/951666238.db2.gz BREGFESGVHMZQD-CYHLAULCSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077311 951666372 /nfs/dbraw/zinc/66/63/72/951666372.db2.gz FOVBPCYCRINBEO-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](CNC(=O)C1(C(F)F)CC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077345 951666456 /nfs/dbraw/zinc/66/64/56/951666456.db2.gz FZPOFCSGFYKBLL-SNVBAGLBSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccsn1 ZINC001575077445 951669777 /nfs/dbraw/zinc/66/97/77/951669777.db2.gz DDGKCDVPJZKACA-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)Cc1cccnc1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077835 951674654 /nfs/dbraw/zinc/67/46/54/951674654.db2.gz ILIFKGBYNRABEH-ZDUSSCGKSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCCCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078676 951684848 /nfs/dbraw/zinc/68/48/48/951684848.db2.gz LIUDUOULGTVYJJ-XJKSGUPXSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078838 951684891 /nfs/dbraw/zinc/68/48/91/951684891.db2.gz ANWCRVKTCMTSGG-JSGCOSHPSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001575079170 951689002 /nfs/dbraw/zinc/68/90/02/951689002.db2.gz LRFOZVUKRAOPAR-RYUDHWBXSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccnc1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079174 951689241 /nfs/dbraw/zinc/68/92/41/951689241.db2.gz LSRSGAANFAZWFI-CYBMUJFWSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575079265 951689330 /nfs/dbraw/zinc/68/93/30/951689330.db2.gz MWIULECUYZXRKL-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](CNC(=O)[C@@]1(C)CCCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079275 951690568 /nfs/dbraw/zinc/69/05/68/951690568.db2.gz MYKSLRJPUJNLSR-DJJJIMSYSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079414 951691417 /nfs/dbraw/zinc/69/14/17/951691417.db2.gz DPVXFZUEJRYNBI-WBMJQRKESA-N 1 0 376.436 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1cccnc1 ZINC001575079572 951694855 /nfs/dbraw/zinc/69/48/55/951694855.db2.gz RNUGWFVIQKCKOE-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@@H](CNC(=O)C1(CCF)CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079836 951697634 /nfs/dbraw/zinc/69/76/34/951697634.db2.gz HAIGDWYSGMWYPW-GFCCVEGCSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1CCOCC1 ZINC001575079872 951699379 /nfs/dbraw/zinc/69/93/79/951699379.db2.gz RSFJZXGGUASGDS-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1cscn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080423 951707961 /nfs/dbraw/zinc/70/79/61/951707961.db2.gz LNGQIBRMIXRGQA-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1cccc(=O)[nH]1 ZINC001575082060 951731221 /nfs/dbraw/zinc/73/12/21/951731221.db2.gz URSBZESKEFSYBZ-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)CC1OCCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082251 951732260 /nfs/dbraw/zinc/73/22/60/951732260.db2.gz WPNAVAUFDOUOBU-LBPRGKRZSA-N 1 0 392.435 1.001 20 0 GDADRO C[C@@H](CNC(=O)CC1CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082264 951732596 /nfs/dbraw/zinc/73/25/96/951732596.db2.gz WSIWYPZRWQLTQF-CYBMUJFWSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082443 951734546 /nfs/dbraw/zinc/73/45/46/951734546.db2.gz YXTWFJGAFPRJQM-CYBMUJFWSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575089052 951745923 /nfs/dbraw/zinc/74/59/23/951745923.db2.gz CUTBGXKEGOZEJM-KRWDZBQOSA-N 1 0 390.469 1.191 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575090736 951764182 /nfs/dbraw/zinc/76/41/82/951764182.db2.gz LNYQMTDOXOKUFL-DIFFPNOSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCc1cn[nH]c1 ZINC001575091036 951767853 /nfs/dbraw/zinc/76/78/53/951767853.db2.gz OYNJUVKNQSRVQU-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091184 951770078 /nfs/dbraw/zinc/77/00/78/951770078.db2.gz OGMQCYPASGIHOM-KBPBESRZSA-N 1 0 382.472 1.246 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001575091486 951777187 /nfs/dbraw/zinc/77/71/87/951777187.db2.gz SCZLWBZZGSBGAT-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1(C)CCOCC1 ZINC001575091559 951779050 /nfs/dbraw/zinc/77/90/50/951779050.db2.gz VDTQXPXRQDGDQU-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)C1(CF)CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091570 951779148 /nfs/dbraw/zinc/77/91/48/951779148.db2.gz VHHFAVCWWGNLAM-LBPRGKRZSA-N 1 0 378.427 1.988 20 0 GDADRO C[C@H](CNC(=O)CCn1cccc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091713 951782239 /nfs/dbraw/zinc/78/22/39/951782239.db2.gz WROJZZFWSWTAEB-AWEZNQCLSA-N 1 0 385.447 1.740 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575093004 951796967 /nfs/dbraw/zinc/79/69/67/951796967.db2.gz GSMCXZNODPUKDQ-CYBMUJFWSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1ccc2n[nH]nc2c1 ZINC001575093764 951800340 /nfs/dbraw/zinc/80/03/40/951800340.db2.gz KDNBJZQWXNUNPB-LBPRGKRZSA-N 1 0 391.439 1.388 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096090 951818099 /nfs/dbraw/zinc/81/80/99/951818099.db2.gz ZBILBJUQMAFHSV-ZOCIIQOWSA-N 1 0 391.479 1.907 20 0 GDADRO C[C@H](CNC(=O)C[C@@H](C)n1ccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098104 951819295 /nfs/dbraw/zinc/81/92/95/951819295.db2.gz ARIYCMRKTCZFNR-QWHCGFSZSA-N 1 0 388.501 1.618 20 0 GDADRO C[C@H](CNC(=O)CC1CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098085 951820061 /nfs/dbraw/zinc/82/00/61/951820061.db2.gz AIONGODAJXCJSA-LBPRGKRZSA-N 1 0 378.502 1.587 20 0 GDADRO C[C@H](CNC(=O)CCc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100809 951846388 /nfs/dbraw/zinc/84/63/88/951846388.db2.gz VLDYRCFPZVRNGV-LBPRGKRZSA-N 1 0 388.501 1.136 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101158 951853881 /nfs/dbraw/zinc/85/38/81/951853881.db2.gz ALAQQYVDAIMNSO-OCCSQVGLSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101360 951857523 /nfs/dbraw/zinc/85/75/23/951857523.db2.gz CEDYRTWDKWWQPV-HXPMCKFVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCCCO1 ZINC001575101546 951861822 /nfs/dbraw/zinc/86/18/22/951861822.db2.gz HAXTVXCAPIZMJQ-MLGOLLRUSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CNC(=O)CCc1c[nH]cn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102020 951866487 /nfs/dbraw/zinc/86/64/87/951866487.db2.gz 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Cc1ccccc1CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571127264 952552596 /nfs/dbraw/zinc/55/25/96/952552596.db2.gz CLHLVXZLOBIAEK-GDBMZVCRSA-N 1 0 377.452 1.636 20 0 GDADRO Cc1ccc(CC(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001571127383 952554309 /nfs/dbraw/zinc/55/43/09/952554309.db2.gz FZAVLGBLJRSEFW-UHFFFAOYSA-N 1 0 377.452 1.541 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571127552 952558642 /nfs/dbraw/zinc/55/86/42/952558642.db2.gz HWVXPFWUZNWDFO-KRWDZBQOSA-N 1 0 377.452 1.883 20 0 GDADRO Cc1cncc(C(=O)N[C@H]2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001571133992 952584097 /nfs/dbraw/zinc/58/40/97/952584097.db2.gz ATCVQCLUZKLHEY-BBRMVZONSA-N 1 0 378.440 1.398 20 0 GDADRO Cc1[nH]ccc1C(=O)N1CC[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571134838 952595990 /nfs/dbraw/zinc/59/59/90/952595990.db2.gz OHMLOELAHYMKDU-SUMWQHHRSA-N 1 0 378.440 1.558 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cnn1 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/nfs/dbraw/zinc/62/83/13/952628313.db2.gz SJZLTZCWOPLNDM-LLVKDONJSA-N 1 0 379.415 1.625 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571141995 952638034 /nfs/dbraw/zinc/63/80/34/952638034.db2.gz MWIHJNKOTDVIPZ-GXTWGEPZSA-N 1 0 378.502 1.681 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571142302 952639748 /nfs/dbraw/zinc/63/97/48/952639748.db2.gz OOFMTPORKBMWDZ-TZMCWYRMSA-N 1 0 378.502 1.824 20 0 GDADRO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)no1 ZINC001571142387 952640944 /nfs/dbraw/zinc/64/09/44/952640944.db2.gz SUOVGBVZEJDJGJ-RHSMWYFYSA-N 1 0 379.424 1.510 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)[C@]12C[C@H]1CCC2 ZINC001571142720 952644857 /nfs/dbraw/zinc/64/48/57/952644857.db2.gz WPDMNRWEBXQGHL-DKLJTFSYSA-N 1 0 378.480 1.851 20 0 GDADRO O=C(c1cnco1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571147575 952662565 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20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169561 952776179 /nfs/dbraw/zinc/77/61/79/952776179.db2.gz GUZPOLKYVNLXBF-HOTGVXAUSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1cncn1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571169618 952776315 /nfs/dbraw/zinc/77/63/15/952776315.db2.gz IHGXFAYFOYYNTA-KRWDZBQOSA-N 1 0 380.456 1.152 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571169645 952776846 /nfs/dbraw/zinc/77/68/46/952776846.db2.gz JIJPWJVETCQONB-INIZCTEOSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC001571169831 952779199 /nfs/dbraw/zinc/77/91/99/952779199.db2.gz OVOLIILPRSTHEB-IUODEOHRSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)cnn1C ZINC001571169802 952779649 /nfs/dbraw/zinc/77/96/49/952779649.db2.gz NWXUAFONPWJQHA-MRXNPFEDSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1ncc(C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)n1C ZINC001571169860 952779894 /nfs/dbraw/zinc/77/98/94/952779894.db2.gz PILCYVUSDZUMEY-UHFFFAOYSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571170839 952789171 /nfs/dbraw/zinc/78/91/71/952789171.db2.gz XKMULQVTQIDCIV-ZBFHGGJFSA-N 1 0 380.456 1.587 20 0 GDADRO CCn1ccc(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571170938 952790763 /nfs/dbraw/zinc/79/07/63/952790763.db2.gz ZYSZYAPZMLYBKN-UHFFFAOYSA-N 1 0 380.456 1.381 20 0 GDADRO Cn1cc(C(=O)N2CCC(C)([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC001571171485 952793846 /nfs/dbraw/zinc/79/38/46/952793846.db2.gz ADIWOURYWJJEAH-UHFFFAOYSA-N 1 0 380.456 1.385 20 0 GDADRO Cn1ccc(C(=O)NC2CCC([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC001571171573 952795293 /nfs/dbraw/zinc/79/52/93/952795293.db2.gz CMPSDWOQDJCHOV-UHFFFAOYSA-N 1 0 380.456 1.431 20 0 GDADRO O=C(Cc1c[nH]cn1)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571171770 952796898 /nfs/dbraw/zinc/79/68/98/952796898.db2.gz GHBYWRLPSCWMAG-DOTOQJQBSA-N 1 0 380.456 1.207 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(c2cc(Br)ccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571172094 952801785 /nfs/dbraw/zinc/80/17/85/952801785.db2.gz MBCDLORWTFXFQK-WDEREUQCSA-N 1 0 381.278 1.521 20 0 GDADRO Cn1cccc1C(=O)N1CCCC[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571172829 952809381 /nfs/dbraw/zinc/80/93/81/952809381.db2.gz YMZUDEFWHROAHT-AWEZNQCLSA-N 1 0 380.456 1.519 20 0 GDADRO Cc1ccoc1CC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571180101 952857469 /nfs/dbraw/zinc/85/74/69/952857469.db2.gz LOLPHNXECJWMST-AWEZNQCLSA-N 1 0 381.440 1.751 20 0 GDADRO Cc1cc(N2C[C@@H](NC(=O)Cc3ccoc3)CC[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180435 952858778 /nfs/dbraw/zinc/85/87/78/952858778.db2.gz OLRYQPGEIDVQLA-HIFRSBDPSA-N 1 0 381.440 1.879 20 0 GDADRO Cc1cc(N2C[C@@H](NC(=O)Cc3ccco3)CC[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180192 952859607 /nfs/dbraw/zinc/85/96/07/952859607.db2.gz MJSCNZKTNIUPFN-KGLIPLIRSA-N 1 0 381.440 1.879 20 0 GDADRO Cc1ccoc1CC(=O)N1CCC[C@@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571181376 952862695 /nfs/dbraw/zinc/86/26/95/952862695.db2.gz VMZPXIYDFOEDOO-CQSZACIVSA-N 1 0 381.440 1.833 20 0 GDADRO Cc1ncc(CC(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)o1 ZINC001571181719 952865174 /nfs/dbraw/zinc/86/51/74/952865174.db2.gz XKPSMDSIWATNDM-HNNXBMFYSA-N 1 0 381.440 1.486 20 0 GDADRO O=C(Cc1ncccc1F)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571182723 952868221 /nfs/dbraw/zinc/86/82/21/952868221.db2.gz CSFPGIPITCTWPY-HNNXBMFYSA-N 1 0 381.415 1.334 20 0 GDADRO CCc1nc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571183074 952872885 /nfs/dbraw/zinc/87/28/85/952872885.db2.gz NQZPIUGIAGHNIZ-HNNXBMFYSA-N 1 0 381.440 1.764 20 0 GDADRO CCc1noc(C)c1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571183262 952874961 /nfs/dbraw/zinc/87/49/61/952874961.db2.gz UTPCJLNPRBKPDZ-OAHLLOKOSA-N 1 0 381.440 1.730 20 0 GDADRO CCc1ncoc1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C ZINC001571183218 952875403 /nfs/dbraw/zinc/87/54/03/952875403.db2.gz SUAGBZGBDNMXKX-WBMJQRKESA-N 1 0 381.440 1.810 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1)c1cccnc1 ZINC001571183348 952876110 /nfs/dbraw/zinc/87/61/10/952876110.db2.gz YAXVFFKAYSSROM-UHFFFAOYSA-N 1 0 381.415 1.795 20 0 GDADRO CN(C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571192206 952948413 /nfs/dbraw/zinc/94/84/13/952948413.db2.gz UQOAIWVKHOHRIB-CAOSSQGBSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001571196020 952979042 /nfs/dbraw/zinc/97/90/42/952979042.db2.gz GPIATAOKLQJIQD-NWDGAFQWSA-N 1 0 382.403 1.180 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001571196021 952979302 /nfs/dbraw/zinc/97/93/02/952979302.db2.gz GPIATAOKLQJIQD-RYUDHWBXSA-N 1 0 382.403 1.180 20 0 GDADRO CCc1nc(C(=O)N2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C)co1 ZINC001571199633 953003431 /nfs/dbraw/zinc/00/34/31/953003431.db2.gz XBZYULMMIXJWHB-NEPJUHHUSA-N 1 0 382.428 1.258 20 0 GDADRO CCc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001571199702 953003932 /nfs/dbraw/zinc/00/39/32/953003932.db2.gz ZRSVZFKKBQZBKD-RYUDHWBXSA-N 1 0 382.428 1.054 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)on1 ZINC001571201638 953020082 /nfs/dbraw/zinc/02/00/82/953020082.db2.gz MAWXZLLATHIEBV-TZMCWYRMSA-N 1 0 382.428 1.381 20 0 GDADRO Cc1cnoc1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571202405 953023970 /nfs/dbraw/zinc/02/39/70/953023970.db2.gz ULTKVMFPBVOYHR-QWHCGFSZSA-N 1 0 382.428 1.654 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@@H](N(C)c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571202736 953027876 /nfs/dbraw/zinc/02/78/76/953027876.db2.gz XPHZWLDNMQCMKJ-CYBMUJFWSA-N 1 0 382.428 1.526 20 0 GDADRO Cc1ncoc1C[NH2+]C1CC2(CC(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001571205368 953037247 /nfs/dbraw/zinc/03/72/47/953037247.db2.gz IGOAOLCZWFUBSN-UHFFFAOYSA-N 1 0 382.428 1.322 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@@H]2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571206504 953051828 /nfs/dbraw/zinc/05/18/28/953051828.db2.gz QIMXBURERGAPSB-CHWSQXEVSA-N 1 0 382.428 1.299 20 0 GDADRO Cc1noc(C)c1C(=O)N1CC[C@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571207076 953059043 /nfs/dbraw/zinc/05/90/43/953059043.db2.gz VRYRDHSNBFGOSF-MFKMUULPSA-N 1 0 382.428 1.251 20 0 GDADRO O=C(N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2)c1ccns1 ZINC001571210635 953072632 /nfs/dbraw/zinc/07/26/32/953072632.db2.gz VCXDYUQRBBQSKK-KBPBESRZSA-N 1 0 382.453 1.293 20 0 GDADRO C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571210578 953073083 /nfs/dbraw/zinc/07/30/83/953073083.db2.gz SVTRVDSTTRGNDF-BXKDBHETSA-N 1 0 382.440 1.910 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571210785 953073691 /nfs/dbraw/zinc/07/36/91/953073691.db2.gz XEBQLAUPWSJYIS-HLIPFELVSA-N 1 0 382.468 1.516 20 0 GDADRO O=C(C[C@@H]1CCOC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571210896 953075182 /nfs/dbraw/zinc/07/51/82/953075182.db2.gz ZPVXZXOPAIHVMV-RYQLBKOJSA-N 1 0 382.468 1.469 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210852 953075797 /nfs/dbraw/zinc/07/57/97/953075797.db2.gz YMBHEILPRFFQGB-SQNIBIBYSA-N 1 0 382.468 1.611 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001571217840 953110970 /nfs/dbraw/zinc/11/09/70/953110970.db2.gz QBMINDMZZAWHDF-GHMZBOCLSA-N 1 0 383.378 1.533 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001571217841 953111031 /nfs/dbraw/zinc/11/10/31/953111031.db2.gz QBMINDMZZAWHDF-MNOVXSKESA-N 1 0 383.378 1.533 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3cnco3)C2)cc1-c1nn[nH]n1 ZINC001571218991 953121554 /nfs/dbraw/zinc/12/15/54/953121554.db2.gz IZLMXXAVEZDXRA-DGCLKSJQSA-N 1 0 383.412 1.256 20 0 GDADRO COc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571219328 953124995 /nfs/dbraw/zinc/12/49/95/953124995.db2.gz NUXAMZLXLHXCQZ-BXUZGUMPSA-N 1 0 383.412 1.114 20 0 GDADRO CC1(C)C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1NC(=O)c1cc[nH]c1 ZINC001571229329 953169030 /nfs/dbraw/zinc/16/90/30/953169030.db2.gz CGXXGUMFMOTXNA-INIZCTEOSA-N 1 0 383.431 1.974 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC001571229809 953172209 /nfs/dbraw/zinc/17/22/09/953172209.db2.gz OIBFEQAESBVJED-AWEZNQCLSA-N 1 0 383.431 1.928 20 0 GDADRO Cc1ccc(F)c(C[NH2+][C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)c1 ZINC001571230055 953173561 /nfs/dbraw/zinc/17/35/61/953173561.db2.gz RNIXORYYAHTMRQ-YVEFUNNKSA-N 1 0 383.431 1.893 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CN1C(=O)c1cccn1C ZINC001571230120 953173792 /nfs/dbraw/zinc/17/37/92/953173792.db2.gz SAULSJFVOMWSIP-IUODEOHRSA-N 1 0 383.431 1.737 20 0 GDADRO CC[C@H]1CN(C(=O)C2=CCOCC2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571231516 953184842 /nfs/dbraw/zinc/18/48/42/953184842.db2.gz ZGMVUUIGCDVXOS-BBRMVZONSA-N 1 0 383.456 1.069 20 0 GDADRO CC[C@H]1CN(C(=O)C2=CCOCC2)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571231519 953184946 /nfs/dbraw/zinc/18/49/46/953184946.db2.gz ZGMVUUIGCDVXOS-XJKSGUPXSA-N 1 0 383.456 1.069 20 0 GDADRO Cc1cc(N2CCC[C@@H](CNC(=O)C3=CCOCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233391 953192278 /nfs/dbraw/zinc/19/22/78/953192278.db2.gz UEIPWCYEJOSGLU-AWEZNQCLSA-N 1 0 383.456 1.249 20 0 GDADRO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001571234040 953198287 /nfs/dbraw/zinc/19/82/87/953198287.db2.gz LFXNNFBDUIZXDB-BZSNNMDCSA-N 1 0 383.500 1.238 20 0 GDADRO Cc1ccc(CCC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571234322 953200244 /nfs/dbraw/zinc/20/02/44/953200244.db2.gz UJDJRCAMEXOLMM-CYBMUJFWSA-N 1 0 383.481 1.699 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)[nH]n1 ZINC001571239171 953236212 /nfs/dbraw/zinc/23/62/12/953236212.db2.gz HEMOJHDKDBLEAN-AWEZNQCLSA-N 1 0 384.419 1.432 20 0 GDADRO CCn1ccnc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571239878 953244065 /nfs/dbraw/zinc/24/40/65/953244065.db2.gz SXYOUPRHVADTLA-AWEZNQCLSA-N 1 0 384.419 1.227 20 0 GDADRO CCn1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)n1 ZINC001571240021 953245497 /nfs/dbraw/zinc/24/54/97/953245497.db2.gz XQGILLIBADSPNW-CQSZACIVSA-N 1 0 384.419 1.227 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)C1=COCCO1 ZINC001571241807 953249391 /nfs/dbraw/zinc/24/93/91/953249391.db2.gz MEFMFZNQJJYSGR-CJNGLKHVSA-N 1 0 384.440 1.224 20 0 GDADRO O=C(Cc1cc[nH]n1)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571241881 953250694 /nfs/dbraw/zinc/25/06/94/953250694.db2.gz OISIMLUPIKWIDY-UHFFFAOYSA-N 1 0 384.419 1.052 20 0 GDADRO O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ncc[nH]1 ZINC001571242237 953254860 /nfs/dbraw/zinc/25/48/60/953254860.db2.gz XIDGYTPSOWNZMY-SMDDNHRTSA-N 1 0 384.419 1.417 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c[nH]1 ZINC001571242359 953255337 /nfs/dbraw/zinc/25/53/37/953255337.db2.gz ZYKVCWLAXATPMP-CQSZACIVSA-N 1 0 384.419 1.432 20 0 GDADRO CCc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)o1 ZINC001571242730 953259492 /nfs/dbraw/zinc/25/94/92/953259492.db2.gz MSTWIULCZDSGIK-CYBMUJFWSA-N 1 0 384.444 1.448 20 0 GDADRO CCc1cnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)o1 ZINC001571242842 953260320 /nfs/dbraw/zinc/26/03/20/953260320.db2.gz PFZJOBCIOBVBNM-DGCLKSJQSA-N 1 0 384.444 1.243 20 0 GDADRO CCN(C(=O)c1cnsn1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571244654 953265673 /nfs/dbraw/zinc/26/56/73/953265673.db2.gz DCOJPYVCZRORHG-AWEZNQCLSA-N 1 0 384.469 1.455 20 0 GDADRO C[C@H]1CN(C(=O)c2ncccn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571244856 953267688 /nfs/dbraw/zinc/26/76/88/953267688.db2.gz KOYQTVUBXXNDAQ-NWDGAFQWSA-N 1 0 384.469 1.216 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cccs3)C2)cc1-c1nn[nH]n1 ZINC001571245352 953272966 /nfs/dbraw/zinc/27/29/66/953272966.db2.gz GWKBJSHQPTUCCX-CYBMUJFWSA-N 1 0 384.465 1.941 20 0 GDADRO Cc1conc1C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1C ZINC001571248133 953290111 /nfs/dbraw/zinc/29/01/11/953290111.db2.gz FAKYXYYREYIDGR-RISCZKNCSA-N 1 0 384.444 1.379 20 0 GDADRO O=C(Cc1cscn1)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571248191 953290513 /nfs/dbraw/zinc/29/05/13/953290513.db2.gz NCPBUGAZVCGYRM-SMDDNHRTSA-N 1 0 384.469 1.080 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571248184 953290813 /nfs/dbraw/zinc/29/08/13/953290813.db2.gz MYAVYICONWTOGX-LBPRGKRZSA-N 1 0 384.469 1.413 20 0 GDADRO Cc1ncsc1C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571248640 953295791 /nfs/dbraw/zinc/29/57/91/953295791.db2.gz WUDIYXUQMIZYJC-LBPRGKRZSA-N 1 0 384.469 1.673 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1cnsn1 ZINC001571248727 953296762 /nfs/dbraw/zinc/29/67/62/953296762.db2.gz YJBLSYRDBVLQKF-AWEZNQCLSA-N 1 0 384.469 1.503 20 0 GDADRO Cc1ncoc1C[N@H+](C)CC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571248878 953298431 /nfs/dbraw/zinc/29/84/31/953298431.db2.gz KZHMIWPHELPYRS-UHFFFAOYSA-N 1 0 384.444 1.475 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571249045 953300870 /nfs/dbraw/zinc/30/08/70/953300870.db2.gz BRNGNSHGMAMQBI-HOCLYGCPSA-N 1 0 384.488 1.537 20 0 GDADRO C[C@@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001571249693 953307403 /nfs/dbraw/zinc/30/74/03/953307403.db2.gz KKOAPELIFCZAFE-KGLIPLIRSA-N 1 0 384.488 1.395 20 0 GDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC3(C)C)CC2)cc1-c1nn[nH]n1 ZINC001571249909 953307965 /nfs/dbraw/zinc/30/79/65/953307965.db2.gz MLWRBMGUBCIHCL-INIZCTEOSA-N 1 0 384.484 1.956 20 0 GDADRO Cc1nc(N[C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)ccc1-c1nn[nH]n1 ZINC001571252118 953323777 /nfs/dbraw/zinc/32/37/77/953323777.db2.gz HWZKRJPJVDTSMK-HIFRSBDPSA-N 1 0 384.488 1.315 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001571252440 953328155 /nfs/dbraw/zinc/32/81/55/953328155.db2.gz MOUGVYJFMOTVJS-ZBFHGGJFSA-N 1 0 384.488 1.457 20 0 GDADRO C[C@H]1C[C@@H](C(=O)NC2CC(CNc3ccc(-c4nn[nH]n4)cn3)C2)CC[N@@H+]1C ZINC001571252743 953332698 /nfs/dbraw/zinc/33/26/98/953332698.db2.gz VKHSBOJXKQCVSQ-REWIBIJMSA-N 1 0 384.488 1.299 20 0 GDADRO C[C@H]1CN(C(=O)c2cnco2)CC[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571254288 953337748 /nfs/dbraw/zinc/33/77/48/953337748.db2.gz FHYPOGWCRLLZKL-XHDPSFHLSA-N 1 0 385.403 1.634 20 0 GDADRO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)no1 ZINC001571255402 953349113 /nfs/dbraw/zinc/34/91/13/953349113.db2.gz ONMISYFGPOCJOD-MGPLVRAMSA-N 1 0 385.403 1.553 20 0 GDADRO Cc1ocnc1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571255453 953350000 /nfs/dbraw/zinc/35/00/00/953350000.db2.gz QEYXKBAFZIMELP-CQSZACIVSA-N 1 0 385.403 1.697 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571255563 953350391 /nfs/dbraw/zinc/35/03/91/953350391.db2.gz QKUUOIPYRSRPMC-BDJLRTHQSA-N 1 0 385.403 1.173 20 0 GDADRO O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ccon1 ZINC001571256122 953362732 /nfs/dbraw/zinc/36/27/32/953362732.db2.gz YNWPCEXDKXRNFH-STQMWFEESA-N 1 0 385.403 1.825 20 0 GDADRO O=C(c1ncccc1F)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571256353 953369330 /nfs/dbraw/zinc/36/93/30/953369330.db2.gz VSKIOSYWOQLUST-CYBMUJFWSA-N 1 0 385.378 1.544 20 0 GDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC[C@@]3(C)C(=O)[O-])CC2)cc1 ZINC000530209221 953558572 /nfs/dbraw/zinc/55/85/72/953558572.db2.gz VLWCKPLVVPBYTI-NRFANRHFSA-N 1 0 389.496 1.669 20 0 GDADRO C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC1(O)CCC(C(=O)[O-])CC1 ZINC001593752061 954425588 /nfs/dbraw/zinc/42/55/88/954425588.db2.gz QNTFOVXWNKVQGF-UHFFFAOYSA-N 1 0 389.540 1.742 20 0 GDADRO CC(C)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001592267199 977511464 /nfs/dbraw/zinc/51/14/64/977511464.db2.gz ASGHUZXBQOWAMQ-QFBILLFUSA-N 1 0 390.528 1.964 20 0 GDADRO C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1)[N@@H+]1CCc2ccccc2C1 ZINC001592660430 978645067 /nfs/dbraw/zinc/64/50/67/978645067.db2.gz RUKCCRRCIPTYIN-MRXNPFEDSA-N 1 0 388.512 1.624 20 0 GDADRO Cc1ncc2n1C[C@@H](C(=O)Nc1ccc(N3CC[NH+](CC(=O)[O-])CC3)cc1)CC2 ZINC000911340426 982367156 /nfs/dbraw/zinc/36/71/56/982367156.db2.gz WAPWSQPLZWVDQQ-INIZCTEOSA-N 1 0 397.479 1.599 20 0 GDADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[N@H+](C)C[C@H](C(=O)[O-])C3)c2)CC1 ZINC001596442523 984137626 /nfs/dbraw/zinc/13/76/26/984137626.db2.gz WSIUUBFFQDCNQF-INIZCTEOSA-N 1 0 389.500 1.309 20 0 GDADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC3CC[NH+](CCCC(=O)[O-])CC3)nc2)C1 ZINC001598193619 990795674 /nfs/dbraw/zinc/79/56/74/990795674.db2.gz JWDKIPMSNRSAKS-GOSISDBHSA-N 1 0 375.517 1.963 20 0 GDADRO CN(CCC[N@H+](C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)CC[NH+](C)C ZINC001598224817 990912286 /nfs/dbraw/zinc/91/22/86/990912286.db2.gz WWBPRBITSGZZHC-HNNXBMFYSA-N 1 0 382.530 1.367 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001598225209 990913305 /nfs/dbraw/zinc/91/33/05/990913305.db2.gz DKUPHNLOSJXRSE-UHFFFAOYSA-N 1 0 376.461 1.078 20 0 GDADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C)C[C@@H](C(=O)[O-])C1 ZINC001590981254 991139654 /nfs/dbraw/zinc/13/96/54/991139654.db2.gz RXDPAYVSMRCXIX-MOPGFXCFSA-N 1 0 390.528 1.801 20 0 GDADRO CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(OCC(=O)[O-])cc3)CC2)CC1 ZINC001598614429 993851395 /nfs/dbraw/zinc/85/13/95/993851395.db2.gz OFIXMLSWTFFONI-UHFFFAOYSA-N 1 0 375.513 2.000 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC001598664804 994657457 /nfs/dbraw/zinc/65/74/57/994657457.db2.gz LPQPCNXJSITKJP-MRXNPFEDSA-N 1 0 375.473 1.109 20 0 GDADRO COc1cccc(C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])c1 ZINC001599668748 994774208 /nfs/dbraw/zinc/77/42/08/994774208.db2.gz AAWPCWXVOTUAJO-GOSISDBHSA-N 1 0 377.485 1.270 20 0 GDADRO CC1(C(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)CC[NH+](Cc2ccccc2)CC1 ZINC001593749228 996386697 /nfs/dbraw/zinc/38/66/97/996386697.db2.gz KGDOZIPZSRRVHY-SVMVAKDDSA-N 1 0 385.508 1.939 20 0 GDADRO CO[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001599076139 996869936 /nfs/dbraw/zinc/86/99/36/996869936.db2.gz IICRLWXVFZEORG-NRFANRHFSA-N 1 0 389.496 1.251 20 0 GDADRO C[C@H]1[C@H](NC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC[N@@H+]1C ZINC001594195067 998757713 /nfs/dbraw/zinc/75/77/13/998757713.db2.gz ZEBNBENVGFIABG-WMLDXEAASA-N 1 0 375.473 1.107 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001594439114 999619810 /nfs/dbraw/zinc/61/98/10/999619810.db2.gz MAVLPSCXPHJEHN-PBHICJAKSA-N 1 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ZINC000158488031 530533668 /nfs/dbraw/zinc/53/36/68/530533668.db2.gz QNEKTHZVRGDMIX-JTQLQIEISA-N 1 0 379.404 1.145 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)CCC[NH3+] ZINC000158873999 530537048 /nfs/dbraw/zinc/53/70/48/530537048.db2.gz FWPJPGRVAOQUEA-LLVKDONJSA-N 1 0 377.304 1.666 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000158943748 530537567 /nfs/dbraw/zinc/53/75/67/530537567.db2.gz KIBHHZGYDYRYNN-GFCCVEGCSA-N 1 0 384.395 1.970 20 0 GDADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000159002976 530538711 /nfs/dbraw/zinc/53/87/11/530538711.db2.gz VXTRMJMCLOMXLH-UHFFFAOYSA-N 1 0 393.912 1.592 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccc(Br)s1 ZINC000159005946 530538894 /nfs/dbraw/zinc/53/88/94/530538894.db2.gz GOPYXCMAITWZJZ-UHFFFAOYSA-N 1 0 383.333 1.636 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(C)s1 ZINC000159153893 530540708 /nfs/dbraw/zinc/54/07/08/530540708.db2.gz WJWQAHVSVXVCKQ-LLVKDONJSA-N 1 0 388.559 1.425 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000161719083 530562838 /nfs/dbraw/zinc/56/28/38/530562838.db2.gz DUAXNKMTTJMXTK-RYUDHWBXSA-N 1 0 382.258 1.561 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1Cl ZINC000161668568 530563343 /nfs/dbraw/zinc/56/33/43/530563343.db2.gz UWKKAIZPFNLKIY-ZDUSSCGKSA-N 1 0 376.906 1.720 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1F ZINC000161915941 530564274 /nfs/dbraw/zinc/56/42/74/530564274.db2.gz KWFLVUFRMSQREV-NXEZZACHSA-N 1 0 393.278 1.991 20 0 GDADRO Cc1cc(C(=O)N2CCN(C)C[C@H]2C[NH3+])nn1-c1ccc(Br)cc1 ZINC000162572182 530569639 /nfs/dbraw/zinc/56/96/39/530569639.db2.gz SJXFDMYYXMZMLC-OAHLLOKOSA-N 1 0 392.301 1.658 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000162709135 530569979 /nfs/dbraw/zinc/56/99/79/530569979.db2.gz LRWFHNGFCMWTBY-IRXDYDNUSA-N 1 0 396.329 1.721 20 0 GDADRO CC(C)(CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Br)cc1 ZINC000162925517 530571808 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C[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[N@H+](C)C1CC1 ZINC000171608485 530601252 /nfs/dbraw/zinc/60/12/52/530601252.db2.gz JNPMTIZMQWAODA-LBPRGKRZSA-N 1 0 388.921 1.400 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000171880208 530604950 /nfs/dbraw/zinc/60/49/50/530604950.db2.gz HOVGWKAOVDWLBT-UHFFFAOYSA-N 1 0 380.290 1.693 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000172304749 530611610 /nfs/dbraw/zinc/61/16/10/530611610.db2.gz RULMVUMKARTTHO-UHFFFAOYSA-N 1 0 384.274 1.746 20 0 GDADRO CO[C@H]1CCN(S(=O)(=O)c2cc(C)c(Br)s2)[C@@H](C[NH3+])C1 ZINC000167302830 530584263 /nfs/dbraw/zinc/58/42/63/530584263.db2.gz TVKLDGAFDYRMKC-ZJUUUORDSA-N 1 0 383.333 1.946 20 0 GDADRO COC1(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[NH2+]CC1 ZINC000168637258 530584887 /nfs/dbraw/zinc/58/48/87/530584887.db2.gz SEZSGRQJHPGVGX-CYBMUJFWSA-N 1 0 382.302 1.913 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCCCCC1 ZINC000026957083 530587724 /nfs/dbraw/zinc/58/77/24/530587724.db2.gz 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ZINC000042740496 530630836 /nfs/dbraw/zinc/63/08/36/530630836.db2.gz PHAZXHRXQGWPSH-UHFFFAOYSA-N 1 0 384.274 1.304 20 0 GDADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCC1 ZINC000173616959 530633294 /nfs/dbraw/zinc/63/32/94/530633294.db2.gz NNXCCYKIHGZXGG-UHFFFAOYSA-N 1 0 385.917 1.657 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000043593979 530634961 /nfs/dbraw/zinc/63/49/61/530634961.db2.gz YCYUCKOFBSMBKB-GJZGRUSLSA-N 1 0 385.555 1.810 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(S(N)(=O)=O)s1)C1CCCCC1 ZINC000043472594 530635180 /nfs/dbraw/zinc/63/51/80/530635180.db2.gz URIGWHMDOOOFBC-CQSZACIVSA-N 1 0 388.559 1.705 20 0 GDADRO COCCOC[C@H]1CCN(Cc2nnnn2-c2ccccc2Br)C1 ZINC000174116707 530643970 /nfs/dbraw/zinc/64/39/70/530643970.db2.gz AGPHKCDEPWGGBH-ZDUSSCGKSA-N 1 0 396.289 1.910 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000044572014 530638973 /nfs/dbraw/zinc/63/89/73/530638973.db2.gz BIHRLCHJEWIZHO-LLVKDONJSA-N 1 0 379.935 1.623 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NC1CCN(S(C)(=O)=O)CC1)CC(C)C ZINC000045406365 530644097 /nfs/dbraw/zinc/64/40/97/530644097.db2.gz MPMHYFMTXJPJIP-INIZCTEOSA-N 1 0 376.567 1.466 20 0 GDADRO CS(=O)(=O)Cc1nc(CN2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000173947547 530639851 /nfs/dbraw/zinc/63/98/51/530639851.db2.gz HDTMHPZPIMEENT-UHFFFAOYSA-N 1 0 387.571 1.765 20 0 GDADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000173987791 530640809 /nfs/dbraw/zinc/64/08/09/530640809.db2.gz AQQAOXWWNAZDNW-AWEZNQCLSA-N 1 0 385.917 1.657 20 0 GDADRO O=C1C[C@@H]([NH2+]Cc2cc(Br)cs2)CN1CCN1CCOCC1 ZINC000172697712 530617177 /nfs/dbraw/zinc/61/71/77/530617177.db2.gz VHHGGNGLOSANFZ-CYBMUJFWSA-N 1 0 388.331 1.533 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000037982591 530617228 /nfs/dbraw/zinc/61/72/28/530617228.db2.gz WYFGMGRYAFQDAI-SNVBAGLBSA-N 1 0 378.288 1.991 20 0 GDADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000041324042 530621547 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C[C@](O)(C[NH2+]CC1=Cc2cc(Br)ccc2OC1)CN1CCOCC1 ZINC000174484933 530649511 /nfs/dbraw/zinc/64/95/11/530649511.db2.gz LZJMXNWNUYLZDO-SFHVURJKSA-N 1 0 397.313 1.898 20 0 GDADRO CC[C@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174645782 530651992 /nfs/dbraw/zinc/65/19/92/530651992.db2.gz VGQXTEOVJYDHOV-OCCSQVGLSA-N 1 0 399.333 1.827 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174903211 530656080 /nfs/dbraw/zinc/65/60/80/530656080.db2.gz XUWODZVAUHWPGF-SECBINFHSA-N 1 0 376.201 1.876 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC[NH+](C)CC3)C2)s1 ZINC000047615612 530660845 /nfs/dbraw/zinc/66/08/45/530660845.db2.gz QQVWLFLZUNZQSF-CQSZACIVSA-N 1 0 385.555 1.668 20 0 GDADRO CC1(C)CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[NH2+]1 ZINC000175429061 530665662 /nfs/dbraw/zinc/66/56/62/530665662.db2.gz COLHBCMHWUTWEG-UHFFFAOYSA-N 1 0 379.258 1.369 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(NC(N)=O)CC1 ZINC000175754040 530669600 /nfs/dbraw/zinc/66/96/00/530669600.db2.gz AQKWMFNFJKKLCC-GFCCVEGCSA-N 1 0 397.317 1.929 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)NCCCN(C)S(C)(=O)=O)c1ccsc1 ZINC000049118839 530672420 /nfs/dbraw/zinc/67/24/20/530672420.db2.gz IENSPCVJNGEOJR-HNNXBMFYSA-N 1 0 390.575 1.712 20 0 GDADRO CN(CCCNC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)S(C)(=O)=O ZINC000052515428 530685902 /nfs/dbraw/zinc/68/59/02/530685902.db2.gz RKWKCQVQOGRFFP-QGZVFWFLSA-N 1 0 387.933 1.778 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000176631846 530687687 /nfs/dbraw/zinc/68/76/87/530687687.db2.gz HMSAWWFQVCUGBV-DOMZBBRYSA-N 1 0 382.302 1.978 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000176691141 530688324 /nfs/dbraw/zinc/68/83/24/530688324.db2.gz VYUPZCLQVLQWTN-NSHDSACASA-N 1 0 398.248 1.963 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000176850587 530692074 /nfs/dbraw/zinc/69/20/74/530692074.db2.gz MSVDHJAELLSZFJ-SNVBAGLBSA-N 1 0 375.803 1.784 20 0 GDADRO O=C(NCCn1ccnc1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000178413513 530720483 /nfs/dbraw/zinc/72/04/83/530720483.db2.gz PFAUAMMGSXTJML-UHFFFAOYSA-N 1 0 381.205 1.490 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[N@@H+]1C1CC1 ZINC000177157983 530698220 /nfs/dbraw/zinc/69/82/20/530698220.db2.gz LESGKFQVYAHNDU-NWDGAFQWSA-N 1 0 385.917 1.945 20 0 GDADRO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000177408068 530702611 /nfs/dbraw/zinc/70/26/11/530702611.db2.gz ASDJUQXAOGJDMY-AWEZNQCLSA-N 1 0 392.237 1.607 20 0 GDADRO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000178136614 530716638 /nfs/dbraw/zinc/71/66/38/530716638.db2.gz URRCRZGGQKKNIF-ZDUSSCGKSA-N 1 0 386.495 1.453 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2cccnc2Br)C1 ZINC000178148049 530717111 /nfs/dbraw/zinc/71/71/11/530717111.db2.gz TVBJLTQLJYXVEZ-ZDUSSCGKSA-N 1 0 386.290 1.696 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000179520036 530743410 /nfs/dbraw/zinc/74/34/10/530743410.db2.gz 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ZINC000178917354 530730829 /nfs/dbraw/zinc/73/08/29/530730829.db2.gz IAZPJNGHVIXZFP-VIFPVBQESA-N 1 0 377.260 1.251 20 0 GDADRO COc1cc(C[NH2+]C[C@@]2(O)CCOC2)cc(I)c1OC ZINC000179019260 530733294 /nfs/dbraw/zinc/73/32/94/530733294.db2.gz YAHMRWOSDBPVKN-AWEZNQCLSA-N 1 0 393.221 1.549 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000058925521 530734453 /nfs/dbraw/zinc/73/44/53/530734453.db2.gz YLGIYEXDJZBINC-LLVKDONJSA-N 1 0 379.935 1.480 20 0 GDADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)C(=O)N1CCOCC1 ZINC000180074437 530757174 /nfs/dbraw/zinc/75/71/74/530757174.db2.gz QBLRCFLSKBJHFQ-INIZCTEOSA-N 1 0 398.301 1.861 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000063490229 530745573 /nfs/dbraw/zinc/74/55/73/530745573.db2.gz CEAGSLWSJGTODP-CQSZACIVSA-N 1 0 387.933 1.807 20 0 GDADRO CN(CCN(C)S(=O)(=O)Cc1c(F)cccc1F)C1CC[NH+](C)CC1 ZINC000181061315 530776732 /nfs/dbraw/zinc/77/67/32/530776732.db2.gz GGYFFRQUNRNVID-UHFFFAOYSA-N 1 0 375.485 1.752 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000067708763 530778135 /nfs/dbraw/zinc/77/81/35/530778135.db2.gz QQXLBWLGJIQSQV-HNNXBMFYSA-N 1 0 385.555 1.892 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068133574 530783864 /nfs/dbraw/zinc/78/38/64/530783864.db2.gz HKORAKZRDLWSGF-CABCVRRESA-N 1 0 385.555 1.892 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068133571 530784220 /nfs/dbraw/zinc/78/42/20/530784220.db2.gz HKORAKZRDLWSGF-LSDHHAIUSA-N 1 0 385.555 1.892 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)s2)CC1 ZINC000066652940 530765738 /nfs/dbraw/zinc/76/57/38/530765738.db2.gz RCLMYZNKKKJXDP-CQSZACIVSA-N 1 0 385.555 1.850 20 0 GDADRO C[N@H+](CCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C1CC1 ZINC000066870999 530767916 /nfs/dbraw/zinc/76/79/16/530767916.db2.gz ZQOHRMSSORWTEA-UHFFFAOYSA-N 1 0 379.404 1.351 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C(=O)c2ccc(Br)o2)C1 ZINC000069471599 530797968 /nfs/dbraw/zinc/79/79/68/530797968.db2.gz HFDAVISXFDLQSL-LBPRGKRZSA-N 1 0 386.290 1.962 20 0 GDADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)Cn3cc(Br)cn3)C2=O)n(C)n1 ZINC000182355500 530798017 /nfs/dbraw/zinc/79/80/17/530798017.db2.gz ZOGVLYNSAWZXON-JSGCOSHPSA-N 1 0 395.305 1.861 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cccc(Br)n2)CC1 ZINC000182603114 530801983 /nfs/dbraw/zinc/80/19/83/530801983.db2.gz WCAHKMVMQCWJFG-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 GDADRO CCc1nc(NC(=O)C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)sc1C ZINC000182859565 530805786 /nfs/dbraw/zinc/80/57/86/530805786.db2.gz SMGBLKSMUOSRAN-JTQLQIEISA-N 1 0 382.511 1.951 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000068470353 530788393 /nfs/dbraw/zinc/78/83/93/530788393.db2.gz HIMAKSSKGMDSRT-GFCCVEGCSA-N 1 0 391.921 1.335 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000068470804 530788672 /nfs/dbraw/zinc/78/86/72/530788672.db2.gz KVBBZFPBVIVWAW-GDBMZVCRSA-N 1 0 387.571 1.543 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181681917 530788703 /nfs/dbraw/zinc/78/87/03/530788703.db2.gz WUVIMWGEBHXJJU-RYUDHWBXSA-N 1 0 378.491 1.161 20 0 GDADRO CCCC[NH+]1CCC(NS(=O)(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000068903393 530791890 /nfs/dbraw/zinc/79/18/90/530791890.db2.gz AIDKAGZFMFHHHX-UHFFFAOYSA-N 1 0 375.535 1.360 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000102079906 530826960 /nfs/dbraw/zinc/82/69/60/530826960.db2.gz BQNLBXBJGVYLRX-UHFFFAOYSA-N 1 0 384.274 1.744 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cnn2cc(Br)cnc12 ZINC000184383188 530827868 /nfs/dbraw/zinc/82/78/68/530827868.db2.gz MLQXNIZIPBJRQM-GFCCVEGCSA-N 1 0 395.305 1.248 20 0 GDADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)CN3C(=O)COc4cc(Br)ccc43)C[C@H]21 ZINC000184995804 530834256 /nfs/dbraw/zinc/83/42/56/530834256.db2.gz FNCRZUUULDHIER-UHTWSYAYSA-N 1 0 394.269 1.370 20 0 GDADRO CCCS(=O)(=O)NC1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000079495765 530808041 /nfs/dbraw/zinc/80/80/41/530808041.db2.gz MANDJBCSSIZWIP-INIZCTEOSA-N 1 0 376.567 1.466 20 0 GDADRO C[C@H](NC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)C(C)(C)C[NH+](C)C ZINC000085423115 530808958 /nfs/dbraw/zinc/80/89/58/530808958.db2.gz RJZQIEPOYMHJCO-LSDHHAIUSA-N 1 0 376.567 1.466 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000183144035 530809913 /nfs/dbraw/zinc/80/99/13/530809913.db2.gz FIFXFYIMZFFUGW-LBPRGKRZSA-N 1 0 391.287 1.656 20 0 GDADRO C[C@@H](CCNC(=O)c1nc2ncc(Br)cn2n1)[NH+]1CCCCC1 ZINC000183165391 530810776 /nfs/dbraw/zinc/81/07/76/530810776.db2.gz UKQSZFHGTREYHX-NSHDSACASA-N 1 0 381.278 1.881 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000183355630 530813436 /nfs/dbraw/zinc/81/34/36/530813436.db2.gz RCUOPDLVEKZJGP-KGLIPLIRSA-N 1 0 386.543 1.152 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000183349642 530813456 /nfs/dbraw/zinc/81/34/56/530813456.db2.gz CIXDTHDNMLHTPL-KGLIPLIRSA-N 1 0 381.416 1.903 20 0 GDADRO COC(=O)CN1CCC([NH2+]CCNC(=O)c2cccc(Br)c2)CC1 ZINC000183325774 530813523 /nfs/dbraw/zinc/81/35/23/530813523.db2.gz AFEMHCYKWIBEJZ-UHFFFAOYSA-N 1 0 398.301 1.406 20 0 GDADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](O)COCc1cccs1 ZINC000096990379 530819176 /nfs/dbraw/zinc/81/91/76/530819176.db2.gz NZBHDDNBMAVSND-HIFRSBDPSA-N 1 0 384.523 1.966 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1cncc(Br)c1)c1cccs1 ZINC000183751568 530819998 /nfs/dbraw/zinc/81/99/98/530819998.db2.gz RMZCZHUKUJZQMC-LBPRGKRZSA-N 1 0 391.312 1.830 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(Br)cc1O ZINC000097543404 530821362 /nfs/dbraw/zinc/82/13/62/530821362.db2.gz ODXWCSCRQNZSLS-AWEZNQCLSA-N 1 0 398.301 1.827 20 0 GDADRO CC[NH2+]Cc1cn(CC(=O)Nc2ccc(I)cc2C)nn1 ZINC000097526630 530821528 /nfs/dbraw/zinc/82/15/28/530821528.db2.gz CMMUSGZDNQWJCR-UHFFFAOYSA-N 1 0 399.236 1.939 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000183954578 530823129 /nfs/dbraw/zinc/82/31/29/530823129.db2.gz YWJNRZZBJOSPOO-UHFFFAOYSA-N 1 0 382.258 1.335 20 0 GDADRO CCOc1c(Br)cc(C(=O)NCC[N@H+](CC)CCO)cc1OC ZINC000183997752 530824063 /nfs/dbraw/zinc/82/40/63/530824063.db2.gz HMTSYYQQZLOULI-UHFFFAOYSA-N 1 0 389.290 1.900 20 0 GDADRO CC[NH+]1CCN(CCC(=O)NCc2cn3cc(Br)ccc3n2)CC1 ZINC000101650953 530825556 /nfs/dbraw/zinc/82/55/56/530825556.db2.gz ZKVNIVJJYRZDNR-UHFFFAOYSA-N 1 0 394.317 1.741 20 0 GDADRO CC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000106381313 530848304 /nfs/dbraw/zinc/84/83/04/530848304.db2.gz PGTFNUFWLUUJGP-CYBMUJFWSA-N 1 0 377.304 1.526 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000106891133 530850802 /nfs/dbraw/zinc/85/08/02/530850802.db2.gz SVVODLPAGLKMBB-CQSZACIVSA-N 1 0 385.555 1.722 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000186184354 530852710 /nfs/dbraw/zinc/85/27/10/530852710.db2.gz DXJBNCOFGINUAP-HNNXBMFYSA-N 1 0 398.301 1.142 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000107887140 530855248 /nfs/dbraw/zinc/85/52/48/530855248.db2.gz OPOVQTVHEHYEHY-GFCCVEGCSA-N 1 0 393.285 1.617 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000186706286 530859915 /nfs/dbraw/zinc/85/99/15/530859915.db2.gz HPGBNHRNADCCFK-TVQRCGJNSA-N 1 0 380.242 1.159 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000186740379 530860742 /nfs/dbraw/zinc/86/07/42/530860742.db2.gz QDVAXZPHWQEJLE-MBNYWOFBSA-N 1 0 380.286 1.916 20 0 GDADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(I)c[nH]1 ZINC000186923972 530864175 /nfs/dbraw/zinc/86/41/75/530864175.db2.gz PBGOEKZGAAABDP-SNVBAGLBSA-N 1 0 391.253 1.537 20 0 GDADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(I)c[nH]1 ZINC000186923991 530864879 /nfs/dbraw/zinc/86/48/79/530864879.db2.gz PBGOEKZGAAABDP-JTQLQIEISA-N 1 0 391.253 1.537 20 0 GDADRO Cc1cc(Br)cc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000187166969 530868151 /nfs/dbraw/zinc/86/81/51/530868151.db2.gz JCNQONCOUMBECT-CYBMUJFWSA-N 1 0 390.347 1.672 20 0 GDADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000187234420 530868444 /nfs/dbraw/zinc/86/84/44/530868444.db2.gz PWWRYAMOIIKFSY-GFCCVEGCSA-N 1 0 379.766 1.744 20 0 GDADRO CNS(=O)(=O)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000187225367 530868613 /nfs/dbraw/zinc/86/86/13/530868613.db2.gz KRYVDKSCRBHTLT-AWEZNQCLSA-N 1 0 388.559 1.370 20 0 GDADRO Cc1cc(Br)cc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000187278395 530870006 /nfs/dbraw/zinc/87/00/06/530870006.db2.gz XGGCSRXHTOQTTE-AWEZNQCLSA-N 1 0 391.331 1.883 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CC[NH+](C)CC1 ZINC000104908852 530841535 /nfs/dbraw/zinc/84/15/35/530841535.db2.gz CNUXDRAIKMKRBI-INIZCTEOSA-N 1 0 385.555 1.297 20 0 GDADRO CC(C)[C@@H](CNC(=O)c1nc(Br)cs1)N1CC[NH+](C)CC1 ZINC000188867093 530902888 /nfs/dbraw/zinc/90/28/88/530902888.db2.gz KMXZXUPEGJYJSJ-LLVKDONJSA-N 1 0 375.336 1.907 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1=O ZINC000116273451 530904296 /nfs/dbraw/zinc/90/42/96/530904296.db2.gz LHADSNULCLGVOE-ZDUSSCGKSA-N 1 0 381.274 1.725 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000189121380 530908330 /nfs/dbraw/zinc/90/83/30/530908330.db2.gz PNYWWMILKDNDPY-UHFFFAOYSA-N 1 0 383.411 1.760 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1Br ZINC000116901072 530909590 /nfs/dbraw/zinc/90/95/90/530909590.db2.gz WRCQYDYAMMWDKZ-NSHDSACASA-N 1 0 393.303 1.409 20 0 GDADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000187633309 530875606 /nfs/dbraw/zinc/87/56/06/530875606.db2.gz BMYAOVGMYYUXCW-OAHLLOKOSA-N 1 0 396.285 1.615 20 0 GDADRO CNS(=O)(=O)CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000187852858 530879296 /nfs/dbraw/zinc/87/92/96/530879296.db2.gz KLGZAORVJIFIOO-HNNXBMFYSA-N 1 0 388.921 1.325 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000187999637 530882592 /nfs/dbraw/zinc/88/25/92/530882592.db2.gz BIZPKTOFKLMALG-UHFFFAOYSA-N 1 0 390.253 1.266 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)sc1Cl ZINC000188113374 530885450 /nfs/dbraw/zinc/88/54/50/530885450.db2.gz YJPGWPINJNYBAG-LBPRGKRZSA-N 1 0 391.946 1.637 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000188230365 530889626 /nfs/dbraw/zinc/88/96/26/530889626.db2.gz QSJCYXDIRJCFQR-HUUCEWRRSA-N 1 0 388.555 1.630 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000113450163 530890149 /nfs/dbraw/zinc/89/01/49/530890149.db2.gz OAYGJIOARWLAII-GJZGRUSLSA-N 1 0 385.555 1.701 20 0 GDADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000188251297 530890487 /nfs/dbraw/zinc/89/04/87/530890487.db2.gz RPTIWVWVFVQYSG-UHFFFAOYSA-N 1 0 394.534 1.972 20 0 GDADRO C[C@@H]1CN(C[C@H](O)Cn2cnc3cc(Br)ccc3c2=O)C[C@H](C)O1 ZINC000113954161 530892121 /nfs/dbraw/zinc/89/21/21/530892121.db2.gz CYBPUWPDMMWRND-SCRDCRAPSA-N 1 0 396.285 1.629 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000114160313 530892420 /nfs/dbraw/zinc/89/24/20/530892420.db2.gz BSIRRABIYKTNNO-AWEZNQCLSA-N 1 0 382.302 1.818 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000114399440 530895347 /nfs/dbraw/zinc/89/53/47/530895347.db2.gz GDVYTFZDXGEDTJ-GFCCVEGCSA-N 1 0 375.441 1.043 20 0 GDADRO C[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)CC(C)(C)O ZINC000114728097 530896453 /nfs/dbraw/zinc/89/64/53/530896453.db2.gz FLAKQHFDXXPSSS-UHFFFAOYSA-N 1 0 375.300 1.740 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000190446712 530930145 /nfs/dbraw/zinc/93/01/45/530930145.db2.gz SNCSUJNDLSVFDR-SNVBAGLBSA-N 1 0 382.258 1.706 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000190435483 530930364 /nfs/dbraw/zinc/93/03/64/530930364.db2.gz GAYHTMLBIUFZDQ-SNVBAGLBSA-N 1 0 382.258 1.706 20 0 GDADRO O=C(NCC1CC[NH+](CCO)CC1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190526999 530931845 /nfs/dbraw/zinc/93/18/45/530931845.db2.gz WPAKGPRBAYPCBM-UHFFFAOYSA-N 1 0 392.258 1.892 20 0 GDADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000119860427 530932522 /nfs/dbraw/zinc/93/25/22/530932522.db2.gz KVDKHYWUPCLKOT-GFCCVEGCSA-N 1 0 393.962 1.774 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1ccccc1OCC[NH+](C)C ZINC000119970357 530933647 /nfs/dbraw/zinc/93/36/47/530933647.db2.gz FYZKZDHUGNRWAL-UHFFFAOYSA-N 1 0 386.905 1.801 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1I ZINC000118094134 530915722 /nfs/dbraw/zinc/91/57/22/530915722.db2.gz XOPYWAUQNQKWKG-UHFFFAOYSA-N 1 0 375.210 1.216 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000118897395 530919634 /nfs/dbraw/zinc/91/96/34/530919634.db2.gz QXOWZTQHUWJOGK-ZDUSSCGKSA-N 1 0 397.317 1.387 20 0 GDADRO C[NH+]1CCN(CCNC(=O)Cc2cccc(I)c2)CC1 ZINC000119045163 530921395 /nfs/dbraw/zinc/92/13/95/530921395.db2.gz YLTUVJHASGHLGJ-UHFFFAOYSA-N 1 0 387.265 1.197 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1OC ZINC000119076960 530921870 /nfs/dbraw/zinc/92/18/70/530921870.db2.gz 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HVHOBLJCURLUHN-SECBINFHSA-N 1 0 399.822 1.505 20 0 GDADRO Cc1ccc(Cl)c(S(=O)(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000127069774 531025923 /nfs/dbraw/zinc/02/59/23/531025923.db2.gz JKYRVGYBKNBQKU-HNNXBMFYSA-N 1 0 387.933 1.869 20 0 GDADRO Cc1nccn1CCC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000127356261 531029462 /nfs/dbraw/zinc/02/94/62/531029462.db2.gz SFKQHGBQWLMVJP-UHFFFAOYSA-N 1 0 382.452 1.870 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(F)cc1I ZINC000225464383 531030799 /nfs/dbraw/zinc/03/07/99/531030799.db2.gz QKVZMPIERYAKAN-NSHDSACASA-N 1 0 391.228 1.406 20 0 GDADRO CN1CCN(C(=O)c2ccc(I)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000226293483 531031583 /nfs/dbraw/zinc/03/15/83/531031583.db2.gz NXKZZYUKTAUHOY-SNVBAGLBSA-N 1 0 393.656 1.660 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000125162146 531003045 /nfs/dbraw/zinc/00/30/45/531003045.db2.gz JBTDACGCLAFTOO-CMPLNLGQSA-N 1 0 379.404 1.479 20 0 GDADRO CN(CC(=O)N1CCC[C@@H](C(N)=O)C1)[C@H](CO)c1cccc(Br)c1 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CC(C)[C@H]([NH3+])CCN(C)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000236820402 531040421 /nfs/dbraw/zinc/04/04/21/531040421.db2.gz VRGHZBAXBQHGEL-OAHLLOKOSA-N 1 0 377.457 1.465 20 0 GDADRO CC(C)[C@@](C)(C[NH3+])NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000236819598 531040471 /nfs/dbraw/zinc/04/04/71/531040471.db2.gz UDULXNMZLHNQJA-MRXNPFEDSA-N 1 0 382.258 1.535 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000237266013 531044581 /nfs/dbraw/zinc/04/45/81/531044581.db2.gz PYDCVQWQKGZJPP-CQSZACIVSA-N 1 0 385.555 1.993 20 0 GDADRO C[NH2+]C[C@H](C)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000237298123 531044631 /nfs/dbraw/zinc/04/46/31/531044631.db2.gz YGQNSADFNNQIBI-ZDUSSCGKSA-N 1 0 398.301 1.354 20 0 GDADRO C[NH2+]CCCNS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C ZINC000237259043 531044816 /nfs/dbraw/zinc/04/48/16/531044816.db2.gz KMONBTCQYLHWPV-UHFFFAOYSA-N 1 0 378.292 1.604 20 0 GDADRO COc1cc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc(Br)c1OC ZINC000237340750 531045304 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GDADRO C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000237757322 531049432 /nfs/dbraw/zinc/04/94/32/531049432.db2.gz LFZVZGPQXLKTPI-WFASDCNBSA-N 1 0 380.286 1.874 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000237708512 531049587 /nfs/dbraw/zinc/04/95/87/531049587.db2.gz DIFCDIOWBDOODD-ZDUSSCGKSA-N 1 0 378.416 1.681 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)NCC[NH2+]C3CC3)CC2=O)ccc1Br ZINC000237792358 531050381 /nfs/dbraw/zinc/05/03/81/531050381.db2.gz QDFJYIMLWKWPGE-GFCCVEGCSA-N 1 0 380.286 1.979 20 0 GDADRO [NH3+]CC1CCN(C(=O)c2ccc3ncc(I)n3c2)CC1 ZINC000237818318 531050653 /nfs/dbraw/zinc/05/06/53/531050653.db2.gz DPXBEUONNWSGPS-UHFFFAOYSA-N 1 0 384.221 1.750 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)CC3CC[NH2+]CC3)CC2)c(C)s1 ZINC000237869321 531051271 /nfs/dbraw/zinc/05/12/71/531051271.db2.gz IGUNOAOHNXMCPU-UHFFFAOYSA-N 1 0 385.555 1.588 20 0 GDADRO O=C([C@@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000237873391 531051530 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C[NH+](C)C[C@@H]1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000129809144 531054552 /nfs/dbraw/zinc/05/45/52/531054552.db2.gz DMEYLNOIGOZZEW-ZDUSSCGKSA-N 1 0 397.317 1.772 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000129809333 531054929 /nfs/dbraw/zinc/05/49/29/531054929.db2.gz DMEYLNOIGOZZEW-CYBMUJFWSA-N 1 0 397.317 1.772 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNc2ncc(I)cn2)CC1 ZINC000520307471 531076558 /nfs/dbraw/zinc/07/65/58/531076558.db2.gz CGTJEQVWBATXNL-LLVKDONJSA-N 1 0 375.258 1.519 20 0 GDADRO COc1ccc(CCC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000261978458 531104116 /nfs/dbraw/zinc/10/41/16/531104116.db2.gz CGOLGOBYWUFGFY-OAHLLOKOSA-N 1 0 396.329 1.896 20 0 GDADRO CCN1CCO[C@@H](C(=O)NC[C@@H](O)COc2ccccc2Br)C1 ZINC000247979224 531077663 /nfs/dbraw/zinc/07/76/63/531077663.db2.gz IDSSTTLZQIGFKI-IUODEOHRSA-N 1 0 387.274 1.026 20 0 GDADRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1Br ZINC000132111986 531078085 /nfs/dbraw/zinc/07/80/85/531078085.db2.gz MGMMOBNSMKFIFG-JTQLQIEISA-N 1 0 386.294 1.223 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000261987534 531104155 /nfs/dbraw/zinc/10/41/55/531104155.db2.gz ORQFPSUUKBVMLD-DGCLKSJQSA-N 1 0 389.315 1.560 20 0 GDADRO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000261978626 531104305 /nfs/dbraw/zinc/10/43/05/531104305.db2.gz OHJXHPPGSHNCCP-CZUORRHYSA-N 1 0 385.917 1.548 20 0 GDADRO Cc1cc(Br)ccc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000133360297 531090957 /nfs/dbraw/zinc/09/09/57/531090957.db2.gz HFVFCIFKRSNYHJ-CQSZACIVSA-N 1 0 391.331 1.883 20 0 GDADRO COC[C@]1(CNC(=O)c2ccc(F)cc2I)CCC[NH2+]1 ZINC000261641872 531094779 /nfs/dbraw/zinc/09/47/79/531094779.db2.gz CIDPDIUHCHNKOX-CQSZACIVSA-N 1 0 392.212 1.929 20 0 GDADRO C[C@]([NH3+])(C(=O)NCc1nnc2n1CCCC2)c1ccc(Br)cc1 ZINC000261656959 531095359 /nfs/dbraw/zinc/09/53/59/531095359.db2.gz DYJKYATTYMZJLA-MRXNPFEDSA-N 1 0 378.274 1.867 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCCc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000261996886 531104893 /nfs/dbraw/zinc/10/48/93/531104893.db2.gz AKTGGIOLPOXIGL-UHFFFAOYSA-N 1 0 389.315 1.275 20 0 GDADRO Cc1sc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1CS(C)(=O)=O ZINC000134020382 531096236 /nfs/dbraw/zinc/09/62/36/531096236.db2.gz URAOFJYPECILAM-OAHLLOKOSA-N 1 0 388.555 1.568 20 0 GDADRO Cc1cccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1I ZINC000261755312 531098105 /nfs/dbraw/zinc/09/81/05/531098105.db2.gz UFZBAYIVAPPPHM-CYBMUJFWSA-N 1 0 399.276 1.719 20 0 GDADRO Cn1ccnc1[C@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1Br ZINC000261801855 531098960 /nfs/dbraw/zinc/09/89/60/531098960.db2.gz ROPPGEWYZNMPHD-CQSZACIVSA-N 1 0 378.274 1.768 20 0 GDADRO C[C@]([NH3+])(C(=O)NCCN1C(=O)CSC1=O)c1ccc(Br)cc1 ZINC000261799656 531099148 /nfs/dbraw/zinc/09/91/48/531099148.db2.gz QXAUBPJAOOOQAC-CQSZACIVSA-N 1 0 386.271 1.435 20 0 GDADRO CCO[C@@H](C)c1ncc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000261866335 531100506 /nfs/dbraw/zinc/10/05/06/531100506.db2.gz NQMLVATYSRWDEQ-CMPLNLGQSA-N 1 0 380.436 1.807 20 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CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262335337 531116901 /nfs/dbraw/zinc/11/69/01/531116901.db2.gz SDCHHVXMBSTIPG-KBPBESRZSA-N 1 0 389.543 1.136 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2ccc(OC)c(Br)c2)CCC[NH2+]1 ZINC000262462132 531121480 /nfs/dbraw/zinc/12/14/80/531121480.db2.gz IPSAPNXXEDETAM-AWEZNQCLSA-N 1 0 393.303 1.505 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000262501499 531122738 /nfs/dbraw/zinc/12/27/38/531122738.db2.gz YNIZYRJSPICBTA-LLVKDONJSA-N 1 0 381.274 1.663 20 0 GDADRO O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCC[C@H]1CC[NH2+]C1 ZINC000262569927 531124656 /nfs/dbraw/zinc/12/46/56/531124656.db2.gz CGXBXRNOIHFQOY-LLVKDONJSA-N 1 0 379.404 1.100 20 0 GDADRO O=C(NC[C@@H]1CCS(=O)(=O)C1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145413322 531124715 /nfs/dbraw/zinc/12/47/15/531124715.db2.gz VYXYWSPFHYMWGL-HNNXBMFYSA-N 1 0 385.555 1.694 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262585052 531125049 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CC(C)(C[NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000150698978 531128762 /nfs/dbraw/zinc/12/87/62/531128762.db2.gz ZCEYGYJMRSXJBT-UHFFFAOYSA-N 1 0 394.324 1.811 20 0 GDADRO C[C@@H]([NH3+])CCC(=O)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000262751183 531128864 /nfs/dbraw/zinc/12/88/64/531128864.db2.gz GQXWUBYEPBTQFW-LLVKDONJSA-N 1 0 383.499 1.373 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000262750756 531128972 /nfs/dbraw/zinc/12/89/72/531128972.db2.gz MRQMXKWUCBQPSQ-DOMZBBRYSA-N 1 0 386.543 1.094 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[NH2+]1 ZINC000262774369 531130149 /nfs/dbraw/zinc/13/01/49/531130149.db2.gz BOJDHLGHTWUHGF-JQWIXIFHSA-N 1 0 379.258 1.416 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000262791307 531130850 /nfs/dbraw/zinc/13/08/50/531130850.db2.gz ODXKVZAXFOWTDZ-LBPRGKRZSA-N 1 0 389.905 1.357 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC[NH2+]1 ZINC000262783276 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20 0 GDADRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000262857087 531133267 /nfs/dbraw/zinc/13/32/67/531133267.db2.gz KUHRHNBIYBTQMQ-NHYWBVRUSA-N 1 0 393.506 1.383 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000262912570 531134325 /nfs/dbraw/zinc/13/43/25/531134325.db2.gz QUOZQDJONWAJDV-RISCZKNCSA-N 1 0 389.315 1.621 20 0 GDADRO CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000262985769 531136220 /nfs/dbraw/zinc/13/62/20/531136220.db2.gz ZHGLXSSNOGJLSA-GHMZBOCLSA-N 1 0 380.798 1.813 20 0 GDADRO COC(=O)[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000151909886 531144287 /nfs/dbraw/zinc/14/42/87/531144287.db2.gz CIBIOBGUPDPDCM-ZDUSSCGKSA-N 1 0 376.906 1.843 20 0 GDADRO COc1cc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)ccc1S(=O)(=O)C(F)F ZINC000152440069 531151510 /nfs/dbraw/zinc/15/15/10/531151510.db2.gz BTHYIRNOLJSQKK-PWSUYJOCSA-N 1 0 376.425 1.963 20 0 GDADRO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 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GDADRO C[NH+](C)CC(=O)N1CCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000157017042 531205986 /nfs/dbraw/zinc/20/59/86/531205986.db2.gz VSSVURYCYVDQOL-UHFFFAOYSA-N 1 0 378.274 1.603 20 0 GDADRO CCC[NH+]1CCC(NC(=O)NCCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC000156151022 531204208 /nfs/dbraw/zinc/20/42/08/531204208.db2.gz CCUQZZVOVFGRPD-UHFFFAOYSA-N 1 0 388.559 1.508 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000156454374 531205017 /nfs/dbraw/zinc/20/50/17/531205017.db2.gz LRLHFSMNWZFSCU-SKDRFNHKSA-N 1 0 379.276 1.194 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CSc2nnnn2CC(F)(F)F)C1 ZINC000157143848 531206280 /nfs/dbraw/zinc/20/62/80/531206280.db2.gz UVAQVJFMSOVHGF-MNOVXSKESA-N 1 0 378.424 1.270 20 0 GDADRO CCc1nc(C[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cs1 ZINC000157764140 531207191 /nfs/dbraw/zinc/20/71/91/531207191.db2.gz GMBFFCRRXSGCOI-UHFFFAOYSA-N 1 0 383.543 1.988 20 0 GDADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)n1 ZINC000276458211 531208831 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CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1 ZINC000414756736 531463080 /nfs/dbraw/zinc/46/30/80/531463080.db2.gz WDWGFKKBCMJKAA-ZDUSSCGKSA-N 1 0 378.445 1.820 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2Br)C1 ZINC000414886453 531464038 /nfs/dbraw/zinc/46/40/38/531464038.db2.gz YFVMBVZPTOFJNI-JTQLQIEISA-N 1 0 387.253 1.907 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNCc1ccc(Br)cc1N1CCOCC1 ZINC000414977613 531464618 /nfs/dbraw/zinc/46/46/18/531464618.db2.gz QNZPZZQJDXFCJI-INIZCTEOSA-N 1 0 383.334 1.279 20 0 GDADRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000486962586 531465462 /nfs/dbraw/zinc/46/54/62/531465462.db2.gz GGTZAKNZSDEWMW-LBPRGKRZSA-N 1 0 390.472 1.038 20 0 GDADRO Cn1ncc(Br)c1C[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000486966099 531466264 /nfs/dbraw/zinc/46/62/64/531466264.db2.gz JRJSSDBDMUVZFG-UHFFFAOYSA-N 1 0 384.278 1.527 20 0 GDADRO COc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Br ZINC000415168231 531466500 /nfs/dbraw/zinc/46/65/00/531466500.db2.gz IPEBNGGODISGQF-LLVKDONJSA-N 1 0 399.289 1.777 20 0 GDADRO CC(C)[C@H]1CN(c2ncc(Br)cc2S(N)(=O)=O)CC[N@@H+]1C ZINC000487082122 531467566 /nfs/dbraw/zinc/46/75/66/531467566.db2.gz CCZJKDPMGIJDAV-LLVKDONJSA-N 1 0 377.308 1.268 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449286102 531469089 /nfs/dbraw/zinc/46/90/89/531469089.db2.gz UFHLEQZLHAEEOO-UHFFFAOYSA-N 1 0 382.555 1.850 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@H](C)C[NH+](C)C ZINC000294406656 531477726 /nfs/dbraw/zinc/47/77/26/531477726.db2.gz XFCSCASJOLOEHP-VHSXEESVSA-N 1 0 376.320 1.943 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000449322830 531470029 /nfs/dbraw/zinc/47/00/29/531470029.db2.gz ZDAQHTFLJJKHRX-GFCCVEGCSA-N 1 0 394.310 1.949 20 0 GDADRO COC(=O)COC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000449320052 531470341 /nfs/dbraw/zinc/47/03/41/531470341.db2.gz LYPZVKYDNXVNOB-LBPRGKRZSA-N 1 0 378.878 1.094 20 0 GDADRO COC(=O)c1cc(C[NH2+]CCn2cc(Br)ccc2=O)n(C)c1C ZINC000449381078 531470388 /nfs/dbraw/zinc/47/03/88/531470388.db2.gz XNSMSWMORYAEAT-UHFFFAOYSA-N 1 0 382.258 1.834 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C1 ZINC000415266728 531470696 /nfs/dbraw/zinc/47/06/96/531470696.db2.gz GWADDKJKDCFHAB-CYBMUJFWSA-N 1 0 382.917 1.781 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000415351887 531477739 /nfs/dbraw/zinc/47/77/39/531477739.db2.gz KFGHMNKALXPLII-WDEREUQCSA-N 1 0 384.274 1.901 20 0 GDADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc(Cl)cc1I ZINC000415280776 531471376 /nfs/dbraw/zinc/47/13/76/531471376.db2.gz GZHVPLPOINSNMM-MRVPVSSYSA-N 1 0 383.617 1.728 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415302560 531472343 /nfs/dbraw/zinc/47/23/43/531472343.db2.gz CWUIYLWLMAPMAI-UHFFFAOYSA-N 1 0 397.163 1.234 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415294106 531472648 /nfs/dbraw/zinc/47/26/48/531472648.db2.gz NTDFOXSATAJCCX-SNVBAGLBSA-N 1 0 382.251 1.986 20 0 GDADRO O=C(COc1ccc(I)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000449701835 531473100 /nfs/dbraw/zinc/47/31/00/531473100.db2.gz CMOYBWSISJBSAV-ZDUSSCGKSA-N 1 0 390.221 1.165 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000415352698 531478421 /nfs/dbraw/zinc/47/84/21/531478421.db2.gz KXBNSBSMZIOWCX-JTQLQIEISA-N 1 0 382.251 1.925 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415354902 531478476 /nfs/dbraw/zinc/47/84/76/531478476.db2.gz CLKFSYYJEBDGBZ-ZETCQYMHSA-N 1 0 395.628 1.737 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415354071 531478539 /nfs/dbraw/zinc/47/85/39/531478539.db2.gz BIQZEFFRVJJDCZ-VIFPVBQESA-N 1 0 375.210 1.392 20 0 GDADRO CC[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187034 531479575 /nfs/dbraw/zinc/47/95/75/531479575.db2.gz ANWGYOKNKRWCSY-DZKIICNBSA-N 1 0 390.933 1.934 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415370360 531480070 /nfs/dbraw/zinc/48/00/70/531480070.db2.gz NTDFOXSATAJCCX-JTQLQIEISA-N 1 0 382.251 1.986 20 0 GDADRO COC(=O)c1c(Br)ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1C ZINC000415376684 531480694 /nfs/dbraw/zinc/48/06/94/531480694.db2.gz LFPHFJQTAVHCQA-JTQLQIEISA-N 1 0 398.257 1.351 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)OC)C1 ZINC000415379938 531480737 /nfs/dbraw/zinc/48/07/37/531480737.db2.gz RQFMUBWOUJRAJP-VIFPVBQESA-N 1 0 388.251 1.929 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1Cl ZINC000268167997 531480766 /nfs/dbraw/zinc/48/07/66/531480766.db2.gz KMSISBMQZQSSDR-GFCCVEGCSA-N 1 0 389.905 1.041 20 0 GDADRO COc1cc(I)ccc1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415378069 531480888 /nfs/dbraw/zinc/48/08/88/531480888.db2.gz GZGXCFOQGQKWDM-UHFFFAOYSA-N 1 0 391.209 1.092 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)s1 ZINC000268303725 531493235 /nfs/dbraw/zinc/49/32/35/531493235.db2.gz XPUITEMGKPWHCE-UHFFFAOYSA-N 1 0 390.527 1.656 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1Br ZINC000415396593 531482585 /nfs/dbraw/zinc/48/25/85/531482585.db2.gz QBGKIRYVLXGLRO-NSHDSACASA-N 1 0 384.274 1.854 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415416285 531484235 /nfs/dbraw/zinc/48/42/35/531484235.db2.gz KAWBCFCZOXUSGC-JTQLQIEISA-N 1 0 380.246 1.379 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)NCCCCn1cc(Br)cn1 ZINC000280305049 531486868 /nfs/dbraw/zinc/48/68/68/531486868.db2.gz HMJPKLBNXLGKKI-UHFFFAOYSA-N 1 0 390.326 1.645 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1Br ZINC000415442349 531486917 /nfs/dbraw/zinc/48/69/17/531486917.db2.gz GLAWDCBSMKRITC-NSHDSACASA-N 1 0 386.246 1.258 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c(C)cc1Br ZINC000415450882 531487235 /nfs/dbraw/zinc/48/72/35/531487235.db2.gz NGTNSXIKPSZTBA-CYBMUJFWSA-N 1 0 398.257 1.336 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[C@@H]1[NH3+] ZINC000415457279 531488146 /nfs/dbraw/zinc/48/81/46/531488146.db2.gz XJWZEEXVTKUPEH-XVKPBYJWSA-N 1 0 376.201 1.862 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1Cl ZINC000415459383 531488251 /nfs/dbraw/zinc/48/82/51/531488251.db2.gz WSEJRZARYATSHZ-CYBMUJFWSA-N 1 0 390.267 1.811 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1cccc(F)c1I ZINC000415468499 531488483 /nfs/dbraw/zinc/48/84/83/531488483.db2.gz YCDJMPWCSPADHA-UHFFFAOYSA-N 1 0 379.173 1.222 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000363514725 531489038 /nfs/dbraw/zinc/48/90/38/531489038.db2.gz WZSCRMBFXPYTJN-FRRDWIJNSA-N 1 0 388.511 1.407 20 0 GDADRO Cc1nc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1Br ZINC000415485525 531489837 /nfs/dbraw/zinc/48/98/37/531489837.db2.gz DPHFVFTYFQODRU-NSHDSACASA-N 1 0 384.278 1.471 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415470982 531490024 /nfs/dbraw/zinc/49/00/24/531490024.db2.gz ZOEFZXJKHJXYBD-GFCCVEGCSA-N 1 0 394.273 1.673 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415488832 531490250 /nfs/dbraw/zinc/49/02/50/531490250.db2.gz WCYBGPASISAYNH-UHFFFAOYSA-N 1 0 389.905 1.515 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000450338517 531493565 /nfs/dbraw/zinc/49/35/65/531493565.db2.gz YEDHJQIFFULNDM-OAHLLOKOSA-N 1 0 382.262 1.072 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415498444 531490612 /nfs/dbraw/zinc/49/06/12/531490612.db2.gz QIJKMKXZQAJVHB-SECBINFHSA-N 1 0 376.201 1.876 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415497258 531490640 /nfs/dbraw/zinc/49/06/40/531490640.db2.gz OZXAKKJPGXHHGE-AWEZNQCLSA-N 1 0 397.317 1.660 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415506545 531490852 /nfs/dbraw/zinc/49/08/52/531490852.db2.gz BDJKKWSVFLRGPJ-LLVKDONJSA-N 1 0 394.273 1.343 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000450256942 531491263 /nfs/dbraw/zinc/49/12/63/531491263.db2.gz SGRGXELDIJKKLM-ZNMIVQPWSA-N 1 0 381.489 1.393 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](O)CN(C)C)CC1 ZINC000545457756 531492207 /nfs/dbraw/zinc/49/22/07/531492207.db2.gz VQQCLYIUHVYQSL-INIZCTEOSA-N 1 0 398.345 1.874 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415539386 531492682 /nfs/dbraw/zinc/49/26/82/531492682.db2.gz JPKDEXUAMRZUQL-WDEREUQCSA-N 1 0 384.274 1.900 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1Br ZINC000415543979 531492829 /nfs/dbraw/zinc/49/28/29/531492829.db2.gz YTOQONLXWFSIET-SNVBAGLBSA-N 1 0 386.246 1.258 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c(I)c1 ZINC000415356581 531478262 /nfs/dbraw/zinc/47/82/62/531478262.db2.gz QTDNIWDEQWIKNB-QMMMGPOBSA-N 1 0 391.184 1.237 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415662383 531510733 /nfs/dbraw/zinc/51/07/33/531510733.db2.gz RJQVSMFEAIUWKR-SKDRFNHKSA-N 1 0 387.221 1.344 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415660175 531511020 /nfs/dbraw/zinc/51/10/20/531511020.db2.gz PESGIKUJBPPVBZ-QMTHXVAHSA-N 1 0 380.286 1.991 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000658429586 531511247 /nfs/dbraw/zinc/51/12/47/531511247.db2.gz ZDTKVIAIJMATKQ-NSHDSACASA-N 1 0 389.905 1.529 20 0 GDADRO CNC(=O)c1cccc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)c1Br ZINC000658429861 531511262 /nfs/dbraw/zinc/51/12/62/531511262.db2.gz YKFPUJWKXCECRC-SNVBAGLBSA-N 1 0 399.289 1.204 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccccc1I ZINC000415667709 531512084 /nfs/dbraw/zinc/51/20/84/531512084.db2.gz YRKAOIZSUFBYSJ-ONGXEEELSA-N 1 0 387.221 1.344 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415681259 531512139 /nfs/dbraw/zinc/51/21/39/531512139.db2.gz QZKNZXKYTCMSTC-BXKDBHETSA-N 1 0 398.257 1.431 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2I)CC[NH2+]1 ZINC000415667840 531512500 /nfs/dbraw/zinc/51/25/00/531512500.db2.gz YQSJUTGWPDFCQL-UWVGGRQHSA-N 1 0 387.221 1.486 20 0 GDADRO CCC[NH2+]CCNC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000415685118 531514293 /nfs/dbraw/zinc/51/42/93/531514293.db2.gz UFFHHEIKGFYFSN-UHFFFAOYSA-N 1 0 386.294 1.802 20 0 GDADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489944690 531514393 /nfs/dbraw/zinc/51/43/93/531514393.db2.gz ZWPZQWBAZRWZFG-CJNGLKHVSA-N 1 0 381.318 1.756 20 0 GDADRO Cc1cc(Br)c(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000489987152 531516905 /nfs/dbraw/zinc/51/69/05/531516905.db2.gz HFAPLLNJJLAKHZ-LLVKDONJSA-N 1 0 394.360 1.487 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)N2CCc3ccc(Br)cc32)CCC[NH2+]1 ZINC000415706586 531517192 /nfs/dbraw/zinc/51/71/92/531517192.db2.gz LEFGPNJPWXRAAM-KRWDZBQOSA-N 1 0 396.285 1.223 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2cc(Br)ccc2F)CCC[NH2+]1 ZINC000415706275 531517281 /nfs/dbraw/zinc/51/72/81/531517281.db2.gz KUMQPBXPROWFEZ-HNNXBMFYSA-N 1 0 388.237 1.412 20 0 GDADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000415715890 531518160 /nfs/dbraw/zinc/51/81/60/531518160.db2.gz ZMEBPXCUVJVSDO-ZDUSSCGKSA-N 1 0 395.301 1.202 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000415712256 531518584 /nfs/dbraw/zinc/51/85/84/531518584.db2.gz QSFSVUHUPQKLTB-CYBMUJFWSA-N 1 0 395.301 1.202 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000415551226 531493788 /nfs/dbraw/zinc/49/37/88/531493788.db2.gz XBLBDVTYTJBAPP-UHFFFAOYSA-N 1 0 376.226 1.187 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)CC[NH3+])sc2c1CCCS2 ZINC000415549763 531493927 /nfs/dbraw/zinc/49/39/27/531493927.db2.gz HMHMXCAMJPHHME-SECBINFHSA-N 1 0 385.511 1.755 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)[C@H](C)C[NH2+]1 ZINC000415550732 531493996 /nfs/dbraw/zinc/49/39/96/531493996.db2.gz CQTGLXUCXVOWAM-HTQZYQBOSA-N 1 0 376.201 1.875 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415554086 531494907 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COc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000415583281 531498769 /nfs/dbraw/zinc/49/87/69/531498769.db2.gz JCBWTEXBPLEHKF-WCQGTBRESA-N 1 0 382.258 1.592 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[N@H+](C)C2CC2)c(Br)o1 ZINC000268372671 531500437 /nfs/dbraw/zinc/50/04/37/531500437.db2.gz GXZQVXRKKKCVOV-UHFFFAOYSA-N 1 0 381.248 1.201 20 0 GDADRO Cc1nccc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1Br ZINC000581595937 531500666 /nfs/dbraw/zinc/50/06/66/531500666.db2.gz DZXPKJLOBLCABF-GFCCVEGCSA-N 1 0 383.290 1.794 20 0 GDADRO COC(=O)c1cc(NC(=O)N(C)C[C@H](O)C[NH3+])cc(Br)c1F ZINC000415605041 531501527 /nfs/dbraw/zinc/50/15/27/531501527.db2.gz GRCSTJSTOLQLAE-MRVPVSSYSA-N 1 0 378.198 1.158 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)C[NH3+])c(I)c1 ZINC000415598835 531501713 /nfs/dbraw/zinc/50/17/13/531501713.db2.gz LMSXIMDLHXJLPP-SSDOTTSWSA-N 1 0 379.173 1.141 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CCO1 ZINC000415604698 531501793 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GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415750290 531523893 /nfs/dbraw/zinc/52/38/93/531523893.db2.gz SZYMEDALBICKIY-VXGBXAGGSA-N 1 0 396.285 1.854 20 0 GDADRO CC[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@@H](C)CO ZINC000550358727 531526360 /nfs/dbraw/zinc/52/63/60/531526360.db2.gz HYBMJOKENBSLHN-NSHDSACASA-N 1 0 377.894 1.232 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1Br ZINC000415778899 531528945 /nfs/dbraw/zinc/52/89/45/531528945.db2.gz KDQQSQCHHZJGTA-GXFFZTMASA-N 1 0 382.258 1.607 20 0 GDADRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)CC1CCS(=O)(=O)CC1)c1ccco1 ZINC000557844154 531529209 /nfs/dbraw/zinc/52/92/09/531529209.db2.gz OZEYLBBOIHAZHT-HIFRSBDPSA-N 1 0 392.543 1.453 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)NC[C@H]([NH3+])CC)sc2c1CCCS2 ZINC000415781923 531529730 /nfs/dbraw/zinc/52/97/30/531529730.db2.gz GFKVLELRTUHYSD-SECBINFHSA-N 1 0 385.511 1.755 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000415784096 531530170 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CC1(C)CN(C(=O)C(=O)Nc2ccc(I)cc2)CC[NH2+]1 ZINC000415821687 531537733 /nfs/dbraw/zinc/53/77/33/531537733.db2.gz HUKJMFNMIHBIRA-UHFFFAOYSA-N 1 0 387.221 1.440 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c(Cl)cc1Br ZINC000659079964 531538423 /nfs/dbraw/zinc/53/84/23/531538423.db2.gz ZZIYAGRPOIOOPG-QMMMGPOBSA-N 1 0 390.665 1.918 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659077322 531538460 /nfs/dbraw/zinc/53/84/60/531538460.db2.gz HXRSIYRIQHSFJX-QMMMGPOBSA-N 1 0 376.201 1.734 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1Cl ZINC000415831856 531539089 /nfs/dbraw/zinc/53/90/89/531539089.db2.gz KORMZMJVZBWOKI-NSHDSACASA-N 1 0 390.267 1.825 20 0 GDADRO COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415836367 531539997 /nfs/dbraw/zinc/53/99/97/531539997.db2.gz MVBMJJHJTUXMSX-SNVBAGLBSA-N 1 0 381.738 1.461 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000659099657 531539975 /nfs/dbraw/zinc/53/99/75/531539975.db2.gz AENIYEXBGCLZBM-UHFFFAOYSA-N 1 0 389.253 1.886 20 0 GDADRO COC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000415839139 531540287 /nfs/dbraw/zinc/54/02/87/531540287.db2.gz OHDRMMABYBNYFM-SNVBAGLBSA-N 1 0 381.738 1.461 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000415838092 531540556 /nfs/dbraw/zinc/54/05/56/531540556.db2.gz LFWGWYLYFOFLTM-LDYMZIIASA-N 1 0 388.237 1.731 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659085684 531540639 /nfs/dbraw/zinc/54/06/39/531540639.db2.gz MOGXJHDRHFCPQY-CBAPKCEASA-N 1 0 376.201 1.923 20 0 GDADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415836815 531540726 /nfs/dbraw/zinc/54/07/26/531540726.db2.gz AQUXKEYVLCRLGT-SNVBAGLBSA-N 1 0 390.665 1.454 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)CCO1 ZINC000582224931 531541747 /nfs/dbraw/zinc/54/17/47/531541747.db2.gz XFDCXLATEDGGOJ-LBPRGKRZSA-N 1 0 398.305 1.849 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000659100841 531541774 /nfs/dbraw/zinc/54/17/74/531541774.db2.gz USEDXWJBZDFADL-UHFFFAOYSA-N 1 0 389.253 1.886 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)C[C@H]1[NH3+] ZINC000415844939 531541919 /nfs/dbraw/zinc/54/19/19/531541919.db2.gz RCQYZLQDFQYHID-NOZJJQNGSA-N 1 0 382.251 1.923 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC[C@H]1F ZINC000659109283 531542326 /nfs/dbraw/zinc/54/23/26/531542326.db2.gz CDJYETRHGILFEE-GHMZBOCLSA-N 1 0 378.629 1.939 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415852785 531543444 /nfs/dbraw/zinc/54/34/44/531543444.db2.gz KPSLDYYNNCPHDM-OLZOCXBDSA-N 1 0 395.301 1.939 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)ccc1Br ZINC000415849745 531543666 /nfs/dbraw/zinc/54/36/66/531543666.db2.gz ZHWFYQPNOKGGCX-SNVBAGLBSA-N 1 0 398.179 1.792 20 0 GDADRO CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415849019 531543773 /nfs/dbraw/zinc/54/37/73/531543773.db2.gz VSEHJEHCLXUPMW-CYBMUJFWSA-N 1 0 387.889 1.316 20 0 GDADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000364199868 531543836 /nfs/dbraw/zinc/54/38/36/531543836.db2.gz VQYIEUXJJADBKI-IUODEOHRSA-N 1 0 385.917 1.378 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(Cl)c1 ZINC000558063181 531546358 /nfs/dbraw/zinc/54/63/58/531546358.db2.gz DANNEMJLAADSGZ-ZDUSSCGKSA-N 1 0 375.922 1.510 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415879783 531547826 /nfs/dbraw/zinc/54/78/26/531547826.db2.gz QDEMVAVCKIRCGK-UHFFFAOYSA-N 1 0 381.601 1.300 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000659491608 531548449 /nfs/dbraw/zinc/54/84/49/531548449.db2.gz LFWAUDYERVAVLV-CYBMUJFWSA-N 1 0 394.900 1.430 20 0 GDADRO CC1CC[NH+](CC(=O)NCCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000551961868 531549140 /nfs/dbraw/zinc/54/91/40/531549140.db2.gz QLGNKJDLTRDKFF-UHFFFAOYSA-N 1 0 391.896 1.606 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Br ZINC000415897783 531550245 /nfs/dbraw/zinc/55/02/45/531550245.db2.gz SIQUUXFWWBCKRK-MNOVXSKESA-N 1 0 382.258 1.464 20 0 GDADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415894438 531550749 /nfs/dbraw/zinc/55/07/49/531550749.db2.gz OMOYDDXCUUTEFL-UHFFFAOYSA-N 1 0 377.750 1.498 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000558206452 531552476 /nfs/dbraw/zinc/55/24/76/531552476.db2.gz BSUTYKKMCANPDF-GUBZILKMSA-N 1 0 378.420 1.938 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC[N@@H+]1C ZINC000558208432 531552736 /nfs/dbraw/zinc/55/27/36/531552736.db2.gz HHUJYSWSCOZSJB-NXEZZACHSA-N 1 0 378.420 1.719 20 0 GDADRO C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451138690 531552956 /nfs/dbraw/zinc/55/29/56/531552956.db2.gz BGMBZRZYFUXTER-OIISXLGYSA-N 1 0 385.302 1.594 20 0 GDADRO CC[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280759131 531535786 /nfs/dbraw/zinc/53/57/86/531535786.db2.gz FHOGXIFVYOMMOH-NSHDSACASA-N 1 0 383.848 1.670 20 0 GDADRO CC[NH+](CC)CCSCC(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000268550248 531535948 /nfs/dbraw/zinc/53/59/48/531535948.db2.gz DIQUIXQBWPLYFZ-CYBMUJFWSA-N 1 0 376.469 1.896 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415810722 531536418 /nfs/dbraw/zinc/53/64/18/531536418.db2.gz QRYXPIBWWIRAJK-RNFRBKRXSA-N 1 0 395.628 1.735 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)NCC(=O)Nc1cccc(Br)c1)C(F)(F)F ZINC000416022046 531554959 /nfs/dbraw/zinc/55/49/59/531554959.db2.gz DKAAPKVHYVFJTA-SNVBAGLBSA-N 1 0 397.195 1.967 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000659693570 531555513 /nfs/dbraw/zinc/55/55/13/531555513.db2.gz IXSQCBQEFZKXJS-WAUNPFCKSA-N 1 0 396.310 1.580 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000659740976 531558626 /nfs/dbraw/zinc/55/86/26/531558626.db2.gz IBLJZXLMGMITSY-HIFRSBDPSA-N 1 0 397.317 1.997 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000659739123 531559329 /nfs/dbraw/zinc/55/93/29/531559329.db2.gz ODSFSPURUQXVGT-SECBINFHSA-N 1 0 377.329 1.963 20 0 GDADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCSC2)c1 ZINC000552766561 531559495 /nfs/dbraw/zinc/55/94/95/531559495.db2.gz HRQLICGNCDXAEU-AWEZNQCLSA-N 1 0 385.555 1.998 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000451167791 531559555 /nfs/dbraw/zinc/55/95/55/531559555.db2.gz AGIWXCNUHKYJNF-HZPDHXFCSA-N 1 0 379.517 1.854 20 0 GDADRO C[C@@]1(NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[NH2+]C1 ZINC000612882281 531560079 /nfs/dbraw/zinc/56/00/79/531560079.db2.gz FOGAESPVPCEQER-OAHLLOKOSA-N 1 0 379.262 1.785 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000613523567 531567976 /nfs/dbraw/zinc/56/79/76/531567976.db2.gz WERDRVSVOCTGEV-ZDUSSCGKSA-N 1 0 385.155 1.802 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000451177033 531561116 /nfs/dbraw/zinc/56/11/16/531561116.db2.gz SVAQWOLHNIJUBQ-JKSUJKDBSA-N 1 0 379.517 1.854 20 0 GDADRO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000451176990 531561238 /nfs/dbraw/zinc/56/12/38/531561238.db2.gz SRGDJDSBIPQGHV-OLZOCXBDSA-N 1 0 386.436 1.761 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000295344120 531564514 /nfs/dbraw/zinc/56/45/14/531564514.db2.gz MSWBQPZPZMCEGE-LBPRGKRZSA-N 1 0 385.917 1.804 20 0 GDADRO NC(=O)[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000416039464 531554608 /nfs/dbraw/zinc/55/46/08/531554608.db2.gz GOGTVOUOKMRFRP-NXEZZACHSA-N 1 0 397.195 1.554 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416033319 531554661 /nfs/dbraw/zinc/55/46/61/531554661.db2.gz RIVPQSYOSWASEF-LBPRGKRZSA-N 1 0 388.456 1.016 20 0 GDADRO O=C(COc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000659919171 531571372 /nfs/dbraw/zinc/57/13/72/531571372.db2.gz DCGPDZKTCWWRNA-ZDUSSCGKSA-N 1 0 396.285 1.108 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000659928321 531571521 /nfs/dbraw/zinc/57/15/21/531571521.db2.gz WPVYHZHTOGNRMU-LLVKDONJSA-N 1 0 380.379 1.699 20 0 GDADRO Cn1nnnc1SCCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000583436808 531575900 /nfs/dbraw/zinc/57/59/00/531575900.db2.gz HXRVCTBTHUEXEH-UHFFFAOYSA-N 1 0 381.531 1.944 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000451249364 531575973 /nfs/dbraw/zinc/57/59/73/531575973.db2.gz ZIJAHCIJWBRZLB-YOEHRIQHSA-N 1 0 388.555 1.582 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000416318584 531576020 /nfs/dbraw/zinc/57/60/20/531576020.db2.gz XTGFHZLSMSHOCE-WDEREUQCSA-N 1 0 381.274 1.853 20 0 GDADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000268870162 531581085 /nfs/dbraw/zinc/58/10/85/531581085.db2.gz CXTWDZYPTDZRQR-XJKSGUPXSA-N 1 0 389.543 1.523 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CSC[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000554956742 531581263 /nfs/dbraw/zinc/58/12/63/531581263.db2.gz LLADSRWEBUIAPZ-INIZCTEOSA-N 1 0 385.555 1.980 20 0 GDADRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1Cl ZINC000268876571 531581315 /nfs/dbraw/zinc/58/13/15/531581315.db2.gz BOYUNIQFAJJCAC-GFCCVEGCSA-N 1 0 389.905 1.678 20 0 GDADRO CN(Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000583500638 531581521 /nfs/dbraw/zinc/58/15/21/531581521.db2.gz TXDGDMJSKMIKIH-GFCCVEGCSA-N 1 0 382.262 1.684 20 0 GDADRO CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000451277810 531582018 /nfs/dbraw/zinc/58/20/18/531582018.db2.gz STVYAAVXKXNCAE-KRWDZBQOSA-N 1 0 385.555 1.997 20 0 GDADRO C[NH+]1CCC(n2ccc(N[C@H](C(N)=O)c3cccc(Br)c3)n2)CC1 ZINC000364606852 531582161 /nfs/dbraw/zinc/58/21/61/531582161.db2.gz OOSOFWHGWDQOCQ-INIZCTEOSA-N 1 0 392.301 2.551 20 0 GDADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)C1 ZINC000660028917 531586807 /nfs/dbraw/zinc/58/68/07/531586807.db2.gz YCSHGPDRKRAUHF-LBPRGKRZSA-N 1 0 393.506 1.350 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000614070929 531587362 /nfs/dbraw/zinc/58/73/62/531587362.db2.gz MIONJKKUJBYLHU-KRWDZBQOSA-N 1 0 399.285 1.749 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000660030325 531589447 /nfs/dbraw/zinc/58/94/47/531589447.db2.gz HNVZCLDTCNGFMG-CYBMUJFWSA-N 1 0 376.425 1.812 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000660030452 531589891 /nfs/dbraw/zinc/58/98/91/531589891.db2.gz KKFMZJHGJDOPEJ-BBRMVZONSA-N 1 0 383.539 1.751 20 0 GDADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000451329576 531591029 /nfs/dbraw/zinc/59/10/29/531591029.db2.gz XOKOMUMATPWCER-YNEHKIRRSA-N 1 0 386.436 1.616 20 0 GDADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000451329572 531591689 /nfs/dbraw/zinc/59/16/89/531591689.db2.gz XOKOMUMATPWCER-JHJVBQTASA-N 1 0 386.436 1.616 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000637002920 531594218 /nfs/dbraw/zinc/59/42/18/531594218.db2.gz WLOWDGCZLJHUQK-SWLSCSKDSA-N 1 0 395.301 1.774 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(CCNS(C)(=O)=O)s3)CC[C@H]21 ZINC000269007535 531599330 /nfs/dbraw/zinc/59/93/30/531599330.db2.gz LUFUWVXVMBJZKF-DZGCQCFKSA-N 1 0 385.555 1.396 20 0 GDADRO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000451372652 531600501 /nfs/dbraw/zinc/60/05/01/531600501.db2.gz YAMKIAVBOJWJBP-ZDUSSCGKSA-N 1 0 388.452 1.864 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000614845755 531607333 /nfs/dbraw/zinc/60/73/33/531607333.db2.gz DSBXOJORBNJIOH-CVEARBPZSA-N 1 0 390.311 1.405 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)no2)C[C@@H]1O ZINC000615079486 531611006 /nfs/dbraw/zinc/61/10/06/531611006.db2.gz VVFUMGNWRHHOID-KBPBESRZSA-N 1 0 380.242 1.851 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 ZINC000416419518 531609724 /nfs/dbraw/zinc/60/97/24/531609724.db2.gz SXRBHCNPRJPELB-OAHLLOKOSA-N 1 0 380.576 1.193 20 0 GDADRO C[C@@](O)(C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F ZINC000559939155 531615342 /nfs/dbraw/zinc/61/53/42/531615342.db2.gz JYSNSSRXRGTBBU-CQSZACIVSA-N 1 0 382.404 1.110 20 0 GDADRO [NH3+]CC1CCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC1 ZINC000269122218 531612565 /nfs/dbraw/zinc/61/25/65/531612565.db2.gz DCKCTYZZYYSYDG-UHFFFAOYSA-N 1 0 389.568 1.297 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCCC[NH3+])ccc2Cl)C[C@H](C)O1 ZINC000269123292 531612752 /nfs/dbraw/zinc/61/27/52/531612752.db2.gz KUMOGWDRDWGPFI-TXEJJXNPSA-N 1 0 389.905 1.217 20 0 GDADRO O=C(NCc1nc(C(F)(F)F)cs1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000559905047 531613372 /nfs/dbraw/zinc/61/33/72/531613372.db2.gz XFYFWMWZBKNBAG-SECBINFHSA-N 1 0 376.404 1.379 20 0 GDADRO O=C(NCC[NH2+]C1CC1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000637317552 531618656 /nfs/dbraw/zinc/61/86/56/531618656.db2.gz PADCYNAJQYFMLS-CQSZACIVSA-N 1 0 381.274 1.384 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)c1cccn2c(I)cnc12 ZINC000269177451 531620127 /nfs/dbraw/zinc/62/01/27/531620127.db2.gz MXGHEHMCOCRHBL-SNVBAGLBSA-N 1 0 384.221 1.668 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000494725494 531621341 /nfs/dbraw/zinc/62/13/41/531621341.db2.gz CMSHZSIWKZTDTL-CQSZACIVSA-N 1 0 384.889 1.946 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000494721650 531621894 /nfs/dbraw/zinc/62/18/94/531621894.db2.gz MUYBLROVRUVMKX-OLZOCXBDSA-N 1 0 397.324 1.747 20 0 GDADRO CC1(C)CCN(S(=O)(=O)c2cccc(S(=O)(=O)[N-]c3c[nH]cn3)c2)C1 ZINC000584540752 531623254 /nfs/dbraw/zinc/62/32/54/531623254.db2.gz JXULPHGPABCXBC-UHFFFAOYSA-N 1 0 384.483 1.631 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1 ZINC000269193886 531622198 /nfs/dbraw/zinc/62/21/98/531622198.db2.gz PAHTXPMNOKLZNG-GDBMZVCRSA-N 1 0 387.571 1.720 20 0 GDADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000269206409 531623835 /nfs/dbraw/zinc/62/38/35/531623835.db2.gz DERWXDSJJOVRRI-LBPRGKRZSA-N 1 0 376.862 1.080 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Br)cc2c1OCCO2 ZINC000615657535 531623936 /nfs/dbraw/zinc/62/39/36/531623936.db2.gz TWWROUBHNCYBFL-CYBMUJFWSA-N 1 0 399.285 1.797 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000269211690 531625758 /nfs/dbraw/zinc/62/57/58/531625758.db2.gz OCIOSDVWJLQQTO-ABAIWWIYSA-N 1 0 389.905 1.074 20 0 GDADRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1(C)C ZINC000451493307 531626173 /nfs/dbraw/zinc/62/61/73/531626173.db2.gz FFZOFYWACDAADA-ULKVUYOBSA-N 1 0 389.905 1.575 20 0 GDADRO O=C(C[C@H]1C[NH2+]CCO1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000269224606 531626488 /nfs/dbraw/zinc/62/64/88/531626488.db2.gz MTPSHBZXKIQBQC-HNNXBMFYSA-N 1 0 396.285 1.112 20 0 GDADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000637597741 531626579 /nfs/dbraw/zinc/62/65/79/531626579.db2.gz SMKVZIOIDACUJT-UFUVZKMWSA-N 1 0 392.297 1.548 20 0 GDADRO COC(=O)c1cccc(NC(=O)NCCOCC[NH+](C)C)c1Br ZINC000495055125 531627497 /nfs/dbraw/zinc/62/74/97/531627497.db2.gz ZDCNLANDTUEHML-UHFFFAOYSA-N 1 0 388.262 1.935 20 0 GDADRO CSC1(CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC[NH+](C)CC1 ZINC000584748484 531627817 /nfs/dbraw/zinc/62/78/17/531627817.db2.gz GNWTWMXDFDUHGV-UHFFFAOYSA-N 1 0 391.946 1.545 20 0 GDADRO C[C@@H]1CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC[C@@H]1[NH3+] ZINC000269244394 531628761 /nfs/dbraw/zinc/62/87/61/531628761.db2.gz DGTNWEAJZOZOSZ-RISCZKNCSA-N 1 0 393.285 1.745 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000495285805 531629852 /nfs/dbraw/zinc/62/98/52/531629852.db2.gz ZLMIYTPXPJWOHF-AWEZNQCLSA-N 1 0 385.555 1.540 20 0 GDADRO Cc1cccc(CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1Br ZINC000637818303 531634257 /nfs/dbraw/zinc/63/42/57/531634257.db2.gz CPMCUEDITLGHLY-AWEZNQCLSA-N 1 0 382.302 1.614 20 0 GDADRO Cc1cccc(CC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1Br ZINC000637818304 531634278 /nfs/dbraw/zinc/63/42/78/531634278.db2.gz CPMCUEDITLGHLY-CQSZACIVSA-N 1 0 382.302 1.614 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000637836621 531636300 /nfs/dbraw/zinc/63/63/00/531636300.db2.gz VWLAGDSVZRXJKO-GVDBMIGSSA-N 1 0 378.314 1.698 20 0 GDADRO COCC[NH+](CCOC)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000637834391 531638025 /nfs/dbraw/zinc/63/80/25/531638025.db2.gz DPANRPQRFBPPMH-UHFFFAOYSA-N 1 0 381.292 1.191 20 0 GDADRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)c1ccco1 ZINC000416479653 531638157 /nfs/dbraw/zinc/63/81/57/531638157.db2.gz LIOKJQRAQOCFTP-ZIAGYGMSSA-N 1 0 394.559 1.842 20 0 GDADRO CC(C)[NH+](CCCNC(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(C)C ZINC000498707661 531638270 /nfs/dbraw/zinc/63/82/70/531638270.db2.gz VKYGFQIVHGPPRN-HOTGVXAUSA-N 1 0 376.567 1.655 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000638181772 531647833 /nfs/dbraw/zinc/64/78/33/531647833.db2.gz OCNHIMQPDMADGR-BMFZPTHFSA-N 1 0 387.933 1.671 20 0 GDADRO O=C1NC(=O)[C@@H]2CN(Cc3ccc(I)c(Cl)c3)C[C@H]12 ZINC000451635956 531651500 /nfs/dbraw/zinc/65/15/00/531651500.db2.gz SMHYLJAYZPIQQR-DTORHVGOSA-N 1 0 390.608 1.649 20 0 GDADRO Cn1ncc(Br)c1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617109691 531651794 /nfs/dbraw/zinc/65/17/94/531651794.db2.gz VGBKZVSSVZZPKL-UHFFFAOYSA-N 1 0 385.306 1.803 20 0 GDADRO CN(C)C(=O)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638434789 531651977 /nfs/dbraw/zinc/65/19/77/531651977.db2.gz NVCSQQGSRMGHOK-UHFFFAOYSA-N 1 0 378.292 1.055 20 0 GDADRO [NH3+]Cc1ncc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)cn1 ZINC000638375948 531652722 /nfs/dbraw/zinc/65/27/22/531652722.db2.gz KBXQWWJNGNTXHN-UHFFFAOYSA-N 1 0 390.285 1.656 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000269359443 531653590 /nfs/dbraw/zinc/65/35/90/531653590.db2.gz VDZIONRPYJMETM-VXGBXAGGSA-N 1 0 393.506 1.348 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000499978643 531653593 /nfs/dbraw/zinc/65/35/93/531653593.db2.gz MWRRPHWZHPHDMR-HUUCEWRRSA-N 1 0 379.592 1.284 20 0 GDADRO C[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1cc(F)c(Br)cc1F ZINC000638494998 531654157 /nfs/dbraw/zinc/65/41/57/531654157.db2.gz LVSZINXDCNRFAZ-MADCSZMMSA-N 1 0 399.257 1.667 20 0 GDADRO C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1cc(F)c(Br)cc1F ZINC000638494997 531654210 /nfs/dbraw/zinc/65/42/10/531654210.db2.gz LVSZINXDCNRFAZ-KRTXAFLBSA-N 1 0 399.257 1.667 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000638497886 531657426 /nfs/dbraw/zinc/65/74/26/531657426.db2.gz ANWBCAQNXUJHAB-KGLIPLIRSA-N 1 0 383.539 1.692 20 0 GDADRO C[N@@H+](Cc1ccccc1)C[C@H](O)CSc1nnc(SCC(N)=O)s1 ZINC000588686783 531658297 /nfs/dbraw/zinc/65/82/97/531658297.db2.gz BQVIWMDYFUAMAY-LBPRGKRZSA-N 1 0 384.552 1.701 20 0 GDADRO O=C(c1cccc(I)c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588861906 531659122 /nfs/dbraw/zinc/65/91/22/531659122.db2.gz WTSHATJJIRFTNN-KBPBESRZSA-N 1 0 386.233 1.572 20 0 GDADRO Cc1c(C(=O)NC[C@H]2COCC[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000638620409 531661003 /nfs/dbraw/zinc/66/10/03/531661003.db2.gz LRTCDLSHNMESGA-LBPRGKRZSA-N 1 0 380.246 1.056 20 0 GDADRO CCc1c(C(=O)NC[C@H]2COCC[NH2+]2)cnn1-c1ccc(Br)cc1 ZINC000638622331 531661288 /nfs/dbraw/zinc/66/12/88/531661288.db2.gz WSXZVPHVHGSNJJ-ZDUSSCGKSA-N 1 0 393.285 1.915 20 0 GDADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638622593 531662124 /nfs/dbraw/zinc/66/21/24/531662124.db2.gz TXAYRYAQVCMNAN-GXSJLCMTSA-N 1 0 377.666 1.974 20 0 GDADRO COCC[N@H+](C)CCNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000588936841 531662603 /nfs/dbraw/zinc/66/26/03/531662603.db2.gz YFHSLAJHGQABDK-QGZVFWFLSA-N 1 0 383.901 1.963 20 0 GDADRO Cc1nn(-c2ccc(C(=O)NC[C@H]3COCC[NH2+]3)cc2)c(C)c1Br ZINC000638621118 531662837 /nfs/dbraw/zinc/66/28/37/531662837.db2.gz PBJOLYDWIBBVPR-AWEZNQCLSA-N 1 0 393.285 1.970 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)NCCOCCC[NH3+])c1F ZINC000638659716 531663684 /nfs/dbraw/zinc/66/36/84/531663684.db2.gz IODLYPLDUAUAMM-UHFFFAOYSA-N 1 0 397.266 1.087 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C[NH3+] ZINC000638893264 531671075 /nfs/dbraw/zinc/67/10/75/531671075.db2.gz RNUVDONMQUNULI-JMSVASOKSA-N 1 0 380.286 1.855 20 0 GDADRO Cc1cc(N2CCC[C@H]([N@@H+]3CCC(CO)(CO)C3)C2=O)ccc1Br ZINC000661946549 531664080 /nfs/dbraw/zinc/66/40/80/531664080.db2.gz AKGUCLHYUNGKPL-INIZCTEOSA-N 1 0 397.313 1.930 20 0 GDADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000365609292 531665785 /nfs/dbraw/zinc/66/57/85/531665785.db2.gz MQNDNKPARBJMHZ-BBRMVZONSA-N 1 0 385.917 1.704 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269420884 531666517 /nfs/dbraw/zinc/66/65/17/531666517.db2.gz INOXYAQXBIXCGT-IUODEOHRSA-N 1 0 383.539 1.745 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](N)c2ccccc2Br)C1 ZINC000662351032 531673311 /nfs/dbraw/zinc/67/33/11/531673311.db2.gz HTUNZBUZXABYSY-CJNGLKHVSA-N 1 0 384.318 1.922 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000269471184 531676038 /nfs/dbraw/zinc/67/60/38/531676038.db2.gz BMXWGXQKYBCVCO-LBPRGKRZSA-N 1 0 386.905 1.918 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000561036844 531676755 /nfs/dbraw/zinc/67/67/55/531676755.db2.gz DEKABIDFLNXYFY-AWEZNQCLSA-N 1 0 397.321 1.455 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCN1c2ccc(Br)cc2OCC1=O ZINC000638936299 531676877 /nfs/dbraw/zinc/67/68/77/531676877.db2.gz HCNAXFXAKFFBNQ-ZYHUDNBSSA-N 1 0 382.258 1.513 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)c2nccn3c(Br)cnc23)CC1(C)C ZINC000281908943 531677287 /nfs/dbraw/zinc/67/72/87/531677287.db2.gz ZVZLQBPHPVAPJH-UHFFFAOYSA-N 1 0 395.305 1.248 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)c2[nH]nc(C3CC3)c2Br)CC1(C)C ZINC000281903453 531677434 /nfs/dbraw/zinc/67/74/34/531677434.db2.gz ZIQJWXKPCDGVAR-UHFFFAOYSA-N 1 0 384.322 1.805 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCO1 ZINC000662432699 531677914 /nfs/dbraw/zinc/67/79/14/531677914.db2.gz RWQDTUBNLAXTQR-QOWREQOWSA-N 1 0 384.274 1.496 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc(I)cc3)[C@@H]2C1 ZINC000590045764 531681047 /nfs/dbraw/zinc/68/10/47/531681047.db2.gz VHHGQCKSCKJXCU-SMDDNHRTSA-N 1 0 386.233 1.833 20 0 GDADRO Cc1sc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1Br ZINC000618300239 531681918 /nfs/dbraw/zinc/68/19/18/531681918.db2.gz RJXSEHLWKQZNNB-UHFFFAOYSA-N 1 0 376.320 1.911 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000662514862 531682642 /nfs/dbraw/zinc/68/26/42/531682642.db2.gz CAXPBBKHYVDWIX-CVEARBPZSA-N 1 0 397.313 1.977 20 0 GDADRO C[NH+]1CCC(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC1 ZINC000281950894 531683099 /nfs/dbraw/zinc/68/30/99/531683099.db2.gz JSAYZISZOKTUMW-UHFFFAOYSA-N 1 0 383.290 1.961 20 0 GDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000618363840 531686131 /nfs/dbraw/zinc/68/61/31/531686131.db2.gz AIYLZGUYNIDHQV-SJORKVTESA-N 1 0 394.313 1.739 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000662553283 531687767 /nfs/dbraw/zinc/68/77/67/531687767.db2.gz WNUBFDZQQWTCMZ-KGLIPLIRSA-N 1 0 384.274 1.049 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000639214604 531688510 /nfs/dbraw/zinc/68/85/10/531688510.db2.gz QPOJXWMFQPUWOT-UHFFFAOYSA-N 1 0 380.576 1.430 20 0 GDADRO [NH3+]CC[C@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)C(F)F ZINC000662567641 531688840 /nfs/dbraw/zinc/68/88/40/531688840.db2.gz XCSWBUZEYKRXFV-VIFPVBQESA-N 1 0 375.177 1.137 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H](CC[NH3+])C2)s1 ZINC000281867598 531671640 /nfs/dbraw/zinc/67/16/40/531671640.db2.gz DYLQNJLPEJFVFI-HUUCEWRRSA-N 1 0 385.555 1.797 20 0 GDADRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000639581865 531695804 /nfs/dbraw/zinc/69/58/04/531695804.db2.gz SFHGUVZMSKFHGI-NSHDSACASA-N 1 0 381.420 1.656 20 0 GDADRO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662793296 531696801 /nfs/dbraw/zinc/69/68/01/531696801.db2.gz JXTXQNJKDJBKHN-IUODEOHRSA-N 1 0 378.416 1.815 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000269602319 531697484 /nfs/dbraw/zinc/69/74/84/531697484.db2.gz LGSLOAAZCJJNHZ-HIFRSBDPSA-N 1 0 380.432 1.609 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451878481 531700682 /nfs/dbraw/zinc/70/06/82/531700682.db2.gz MYZOSYQKJZKFCN-SMDDNHRTSA-N 1 0 387.889 1.632 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662927803 531700100 /nfs/dbraw/zinc/70/01/00/531700100.db2.gz FQVRMSAQDOIENQ-UHFFFAOYSA-N 1 0 380.286 1.400 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000662925335 531700114 /nfs/dbraw/zinc/70/01/14/531700114.db2.gz HSJXUPSMPHNJBH-CYBMUJFWSA-N 1 0 392.319 1.217 20 0 GDADRO C[C@]12C[NH+](CCC(=O)Nc3cccc(Br)c3)C[C@]1(C)C(=O)NC2=O ZINC000639949996 531710242 /nfs/dbraw/zinc/71/02/42/531710242.db2.gz QBEAPUSYBXSJQK-IAGOWNOFSA-N 1 0 394.269 1.762 20 0 GDADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000269675673 531710223 /nfs/dbraw/zinc/71/02/23/531710223.db2.gz QJQZMTKGVHYWHG-SNVBAGLBSA-N 1 0 392.499 1.330 20 0 GDADRO C[C@]12C[NH+](Cc3nc4cc(Br)ccc4[nH]3)C[C@]1(C)C(=O)NC2=O ZINC000639945319 531710595 /nfs/dbraw/zinc/71/05/95/531710595.db2.gz URBVFNOARDCQLG-HZPDHXFCSA-N 1 0 377.242 1.810 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000662953028 531701453 /nfs/dbraw/zinc/70/14/53/531701453.db2.gz JOMRGYICJQQLPT-NSHDSACASA-N 1 0 381.420 1.488 20 0 GDADRO O=C(N[C@H]1CCOc2c(Br)cccc21)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000504332632 531703183 /nfs/dbraw/zinc/70/31/83/531703183.db2.gz UXKMAAZNSTWSCJ-GJZGRUSLSA-N 1 0 380.286 1.779 20 0 GDADRO OCc1cn([C@@H]2CC[N@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000639723632 531704455 /nfs/dbraw/zinc/70/44/55/531704455.db2.gz OVHVBIHKYCVSRY-HUUCEWRRSA-N 1 0 387.267 1.764 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000662972317 531704552 /nfs/dbraw/zinc/70/45/52/531704552.db2.gz UPQYBVNUMIDRJR-UHFFFAOYSA-N 1 0 385.295 1.592 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000282097321 531705684 /nfs/dbraw/zinc/70/56/84/531705684.db2.gz IXRZORWSVPQRPD-IUODEOHRSA-N 1 0 397.317 1.818 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CC[C@@H]3[NH2+]CC[C@H]3C1)C2 ZINC000662993637 531705992 /nfs/dbraw/zinc/70/59/92/531705992.db2.gz PLOHPZFJBMTASL-ZFWWWQNUSA-N 1 0 392.297 1.810 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2ccccc2Br)CC1(C)C ZINC000282105611 531706327 /nfs/dbraw/zinc/70/63/27/531706327.db2.gz SRGRMAOGJDGJCK-UHFFFAOYSA-N 1 0 397.317 1.530 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1Br ZINC000640163658 531723425 /nfs/dbraw/zinc/72/34/25/531723425.db2.gz RMSSZSXRXSUPDP-NEPJUHHUSA-N 1 0 386.294 1.554 20 0 GDADRO CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000451945066 531723513 /nfs/dbraw/zinc/72/35/13/531723513.db2.gz IHJUXRWCNSTQOG-NWANDNLSSA-N 1 0 378.238 1.721 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000269731310 531727489 /nfs/dbraw/zinc/72/74/89/531727489.db2.gz JSIVOZWPLAZZNH-UHFFFAOYSA-N 1 0 378.878 1.373 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000505852585 531728845 /nfs/dbraw/zinc/72/88/45/531728845.db2.gz XMKGZQZSKWFNSK-WDEREUQCSA-N 1 0 394.324 1.871 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1c(Cl)cccc1Br ZINC000282271185 531731541 /nfs/dbraw/zinc/73/15/41/531731541.db2.gz IEZURBPYPNEWSJ-LBPRGKRZSA-N 1 0 385.711 1.693 20 0 GDADRO COC(=O)Cn1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)nn1 ZINC000296853331 531731920 /nfs/dbraw/zinc/73/19/20/531731920.db2.gz OSOOMENAYVXLDR-LBPRGKRZSA-N 1 0 397.273 1.154 20 0 GDADRO O=C(CSCc1cc(=O)n2ccsc2n1)NCC12CCC[NH+]1CCC2 ZINC000619573905 531712600 /nfs/dbraw/zinc/71/26/00/531712600.db2.gz CEBKQNLVNUSPEU-UHFFFAOYSA-N 1 0 378.523 1.734 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000451927754 531716823 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Cc1oc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1S(N)(=O)=O ZINC000282762959 531791898 /nfs/dbraw/zinc/79/18/98/531791898.db2.gz CHIDDXUKMKHTBE-CYBMUJFWSA-N 1 0 385.873 1.922 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)C[N@@H+]1C1CC1 ZINC000623020666 531792813 /nfs/dbraw/zinc/79/28/13/531792813.db2.gz QTGVOHQMLGMECF-CMPLNLGQSA-N 1 0 391.273 1.780 20 0 GDADRO CSc1cc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccn1 ZINC000417971555 531793250 /nfs/dbraw/zinc/79/32/50/531793250.db2.gz RVIXSWGYVCAHSV-GFCCVEGCSA-N 1 0 377.436 1.439 20 0 GDADRO O=C(NCc1ccc(O)c(Br)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000297453707 531793646 /nfs/dbraw/zinc/79/36/46/531793646.db2.gz VLVDEWZLVPWHNO-ZDUSSCGKSA-N 1 0 386.290 1.801 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC000417926799 531793891 /nfs/dbraw/zinc/79/38/91/531793891.db2.gz KVQWGTHFQMOSBG-NSHDSACASA-N 1 0 394.950 1.497 20 0 GDADRO C[C@@H]1CN(Cc2ccc(F)cc2I)CC[N@@H+]1CCO ZINC000417993804 531795238 /nfs/dbraw/zinc/79/52/38/531795238.db2.gz OMOUVGUGMLNVNS-LLVKDONJSA-N 1 0 378.229 1.929 20 0 GDADRO C[C@](CO)([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000511599161 531796815 /nfs/dbraw/zinc/79/68/15/531796815.db2.gz YWGOAOKDZINWDP-SWLSCSKDSA-N 1 0 391.331 1.528 20 0 GDADRO Cc1nc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)sc1Br ZINC000452835429 531797205 /nfs/dbraw/zinc/79/72/05/531797205.db2.gz ZPKOPNGQAQPIRT-SNVBAGLBSA-N 1 0 389.319 1.240 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCO[C@@H](C[NH3+])C3)nc12 ZINC000418015861 531797549 /nfs/dbraw/zinc/79/75/49/531797549.db2.gz FEEBHQJQWQILJE-ZDUSSCGKSA-N 1 0 382.262 1.274 20 0 GDADRO C[NH2+]CCCNC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000418012032 531797925 /nfs/dbraw/zinc/79/79/25/531797925.db2.gz LOZVNHGNXSNFNW-CQSZACIVSA-N 1 0 383.290 1.772 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)N[C@H](C)C[NH3+])C2=O)ccc1Br ZINC000418009258 531798023 /nfs/dbraw/zinc/79/80/23/531798023.db2.gz HXUPGKVBSODKEM-RISCZKNCSA-N 1 0 383.290 1.899 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1nn(C)cc1I ZINC000418268261 531818674 /nfs/dbraw/zinc/81/86/74/531818674.db2.gz XHACOHNMWUDHLF-VIFPVBQESA-N 1 0 379.246 1.197 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000623233381 531802475 /nfs/dbraw/zinc/80/24/75/531802475.db2.gz YSSATHRDPHPBKF-HNNXBMFYSA-N 1 0 386.265 1.572 20 0 GDADRO COC(=O)CNC(=O)[C@@H]1CCCN1Cc1cc(Br)cc2c1OCC2 ZINC000418131177 531802551 /nfs/dbraw/zinc/80/25/51/531802551.db2.gz XKQMTAUCXBLMTN-AWEZNQCLSA-N 1 0 397.269 1.638 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN1CCc2ccc(F)c(Br)c2C1 ZINC000623254967 531803029 /nfs/dbraw/zinc/80/30/29/531803029.db2.gz CTPYMVMHUQRMTG-CYBMUJFWSA-N 1 0 375.282 1.885 20 0 GDADRO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000418147274 531804797 /nfs/dbraw/zinc/80/47/97/531804797.db2.gz LWLJMLXZIJAWKJ-ZDUSSCGKSA-N 1 0 388.921 1.307 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(Br)o1 ZINC000297600481 531804912 /nfs/dbraw/zinc/80/49/12/531804912.db2.gz HCZUQUGOZWXARY-UHFFFAOYSA-N 1 0 390.278 1.037 20 0 GDADRO O=C(NCCOc1ccc(I)cc1)N1CC[NH2+]CC1 ZINC000418149834 531804950 /nfs/dbraw/zinc/80/49/50/531804950.db2.gz BVPBQERDCGMHRN-UHFFFAOYSA-N 1 0 375.210 1.285 20 0 GDADRO C[S@@](=O)Cc1cccc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000563109506 531806318 /nfs/dbraw/zinc/80/63/18/531806318.db2.gz IZCWJMPHPWCPLW-DLUDVSRJSA-N 1 0 377.432 1.131 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000418156059 531806371 /nfs/dbraw/zinc/80/63/71/531806371.db2.gz AAMNNTOIJGPNNY-LBPRGKRZSA-N 1 0 379.404 1.612 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000418153349 531807627 /nfs/dbraw/zinc/80/76/27/531807627.db2.gz WCPUWLNRFGZWIK-ZDUSSCGKSA-N 1 0 388.921 1.402 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)NCCOc1ccc(I)cc1 ZINC000418153719 531807647 /nfs/dbraw/zinc/80/76/47/531807647.db2.gz IZRAJJBNLAMRMO-SNVBAGLBSA-N 1 0 377.226 1.659 20 0 GDADRO C[C@H](CNc1ncnc(C(F)(F)F)c1Br)N1CC[NH+](C)CC1 ZINC000641335694 531809387 /nfs/dbraw/zinc/80/93/87/531809387.db2.gz MYYJTBZWTIJCEX-SECBINFHSA-N 1 0 382.228 2.306 20 0 GDADRO O=S(=O)(CC[NH2+]CC1(CO)CCOCC1)c1cccc(Br)c1 ZINC000563143000 531812064 /nfs/dbraw/zinc/81/20/64/531812064.db2.gz QQDOWIGNJJJOMA-UHFFFAOYSA-N 1 0 392.315 1.602 20 0 GDADRO [NH3+]CCCCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418172786 531813084 /nfs/dbraw/zinc/81/30/84/531813084.db2.gz XJQYHXMMWCWMMZ-UHFFFAOYSA-N 1 0 383.301 1.310 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418173171 531813334 /nfs/dbraw/zinc/81/33/34/531813334.db2.gz XZIPTNYSDNROHO-ZDUSSCGKSA-N 1 0 386.543 1.200 20 0 GDADRO C[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)Oc1cccc(Br)c1 ZINC000669505931 531813477 /nfs/dbraw/zinc/81/34/77/531813477.db2.gz VRMFIACREVRRSU-XUJVJEKNSA-N 1 0 386.290 1.974 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@H](C)CCC[NH3+] ZINC000418187730 531813646 /nfs/dbraw/zinc/81/36/46/531813646.db2.gz SDDMWOSCDMAPNE-GFCCVEGCSA-N 1 0 376.910 1.353 20 0 GDADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CCC(=O)N1CC[NH2+]CC1 ZINC000563153570 531813995 /nfs/dbraw/zinc/81/39/95/531813995.db2.gz BHQBUVDKZOQZMX-MRXNPFEDSA-N 1 0 388.295 1.961 20 0 GDADRO COc1cc(CS(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)sn1 ZINC000641385424 531814212 /nfs/dbraw/zinc/81/42/12/531814212.db2.gz PHKCYUQQLYCJBW-CABCVRRESA-N 1 0 389.543 1.339 20 0 GDADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)NCC[NH3+])C1=O ZINC000418186202 531814338 /nfs/dbraw/zinc/81/43/38/531814338.db2.gz PYHINPMOUDGEAH-CYBMUJFWSA-N 1 0 383.290 1.819 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000623409079 531814449 /nfs/dbraw/zinc/81/44/49/531814449.db2.gz PGALIBGDPWATAN-ZFWWWQNUSA-N 1 0 388.559 1.322 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418184488 531814462 /nfs/dbraw/zinc/81/44/62/531814462.db2.gz NLBKWGZLWVALRF-OCCSQVGLSA-N 1 0 388.921 1.366 20 0 GDADRO CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000418190564 531814768 /nfs/dbraw/zinc/81/47/68/531814768.db2.gz WPJJWWJERUDAFI-FZMZJTMJSA-N 1 0 375.441 1.838 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000418218699 531815584 /nfs/dbraw/zinc/81/55/84/531815584.db2.gz OWNIYACASMPPBB-AWEZNQCLSA-N 1 0 388.299 1.525 20 0 GDADRO CC[C@@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(=O)NC ZINC000453407369 531815562 /nfs/dbraw/zinc/81/55/62/531815562.db2.gz PPLBPYRXCZEXNA-LDYMZIIASA-N 1 0 378.292 1.272 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2cc(F)c(F)cc2Br)CCO1 ZINC000669584909 531815646 /nfs/dbraw/zinc/81/56/46/531815646.db2.gz VHRPNKRAMYAAKC-OQPBUACISA-N 1 0 378.217 1.985 20 0 GDADRO O=C(CCNC(=O)NC[C@H]1C[NH2+]CCO1)Nc1cc(Cl)cc(Cl)c1 ZINC000418222825 531815820 /nfs/dbraw/zinc/81/58/20/531815820.db2.gz WVHUEDWEVWJPAO-CYBMUJFWSA-N 1 0 375.256 1.610 20 0 GDADRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623547956 531815886 /nfs/dbraw/zinc/81/58/86/531815886.db2.gz JHXQIZNJIPCHDF-MLGOLLRUSA-N 1 0 393.311 1.536 20 0 GDADRO O=C(NCc1c(Br)cncc1Br)N[C@@H]1CC[NH2+]C1 ZINC000418232379 531815868 /nfs/dbraw/zinc/81/58/68/531815868.db2.gz DKNCVYPRSHTEOR-SSDOTTSWSA-N 1 0 378.068 1.768 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000516434758 531816797 /nfs/dbraw/zinc/81/67/97/531816797.db2.gz MYINGMIJDXLGCF-QWHCGFSZSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000516434760 531817302 /nfs/dbraw/zinc/81/73/02/531817302.db2.gz MYINGMIJDXLGCF-STQMWFEESA-N 1 0 382.302 1.694 20 0 GDADRO Cn1cc(I)c(CNC(=O)N[C@H](C[NH3+])C2CCCC2)n1 ZINC000418250572 531817985 /nfs/dbraw/zinc/81/79/85/531817985.db2.gz HKUKSNKMXYFTEM-LLVKDONJSA-N 1 0 391.257 1.341 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)NC[C@@H]1CCC[NH2+]C1 ZINC000418331375 531821935 /nfs/dbraw/zinc/82/19/35/531821935.db2.gz CJJLYNAATQOUMM-OLZOCXBDSA-N 1 0 386.290 1.488 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418379111 531822821 /nfs/dbraw/zinc/82/28/21/531822821.db2.gz 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GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418836554 531850915 /nfs/dbraw/zinc/85/09/15/531850915.db2.gz UWKHGNHDHKFBQA-TZQJONAQSA-N 1 0 380.286 1.617 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418844743 531851356 /nfs/dbraw/zinc/85/13/56/531851356.db2.gz KXOMUIJZVAPLBU-UHFFFAOYSA-N 1 0 388.281 1.881 20 0 GDADRO C[N@@H+]1CCCC[C@H](CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C1 ZINC000624609260 531852178 /nfs/dbraw/zinc/85/21/78/531852178.db2.gz RZBYAHPSCVXBRY-AGIUHOORSA-N 1 0 385.452 1.335 20 0 GDADRO CN(C)S(=O)(=O)C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000298113737 531852529 /nfs/dbraw/zinc/85/25/29/531852529.db2.gz ONORWQRNPVIOSW-AWEZNQCLSA-N 1 0 380.436 1.462 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000418847835 531852845 /nfs/dbraw/zinc/85/28/45/531852845.db2.gz WMDBNHAJIOLKQO-DYEKYZERSA-N 1 0 382.302 1.692 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 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20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000418785048 531841158 /nfs/dbraw/zinc/84/11/58/531841158.db2.gz QMKCZQISEGWQAN-IINYFYTJSA-N 1 0 384.274 1.188 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc3nsnc32)CC[C@H]1C(F)(F)F ZINC000624389925 531841562 /nfs/dbraw/zinc/84/15/62/531841562.db2.gz PMVUXBWAKDKHAH-DTWKUNHWSA-N 1 0 380.417 1.839 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1F ZINC000624405145 531843051 /nfs/dbraw/zinc/84/30/51/531843051.db2.gz DCWWMTPETSGRRU-NEPJUHHUSA-N 1 0 393.506 1.395 20 0 GDADRO CCCC[N@H+](CCC(=O)Nc1sccc1C(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC000298021121 531843171 /nfs/dbraw/zinc/84/31/71/531843171.db2.gz APKLUUYIYPGWKB-LBPRGKRZSA-N 1 0 387.527 1.465 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418800600 531843180 /nfs/dbraw/zinc/84/31/80/531843180.db2.gz BRLJYMJXQLTKIM-PBUVFVDJSA-N 1 0 398.276 1.817 20 0 GDADRO CCCC[N@H+](CCC(=O)Nc1sccc1C(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000298021108 531843413 /nfs/dbraw/zinc/84/34/13/531843413.db2.gz APKLUUYIYPGWKB-GFCCVEGCSA-N 1 0 387.527 1.465 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000418810320 531844134 /nfs/dbraw/zinc/84/41/34/531844134.db2.gz HGXPRYNOUVKGSV-ZYHUDNBSSA-N 1 0 386.265 1.648 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000641625786 531844687 /nfs/dbraw/zinc/84/46/87/531844687.db2.gz XIPRKZJDCYMTQD-WMLDXEAASA-N 1 0 388.555 1.831 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2Br)[C@@H]1C[NH3+] ZINC000418810947 531844865 /nfs/dbraw/zinc/84/48/65/531844865.db2.gz HOQPFYCYFLLQOI-QMTHXVAHSA-N 1 0 386.265 1.790 20 0 GDADRO O=C([C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000563445313 531845210 /nfs/dbraw/zinc/84/52/10/531845210.db2.gz AUKSXEJZANZRKX-OAHLLOKOSA-N 1 0 385.917 1.314 20 0 GDADRO CC[NH+](CC)CCN(C(=O)CC1(CSC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000593558439 531845427 /nfs/dbraw/zinc/84/54/27/531845427.db2.gz XWLVFCPSVBCWTG-HNNXBMFYSA-N 1 0 376.588 1.877 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418816893 531846473 /nfs/dbraw/zinc/84/64/73/531846473.db2.gz ZEOKVZWSTQKNTE-ZDCRXTMVSA-N 1 0 386.315 1.597 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418825361 531847305 /nfs/dbraw/zinc/84/73/05/531847305.db2.gz KAAAVGPSVYWPAD-OSAQELSMSA-N 1 0 380.286 1.761 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418934946 531866323 /nfs/dbraw/zinc/86/63/23/531866323.db2.gz CGFAXGWMNOCRQC-HIFRSBDPSA-N 1 0 396.285 1.047 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418933861 531866713 /nfs/dbraw/zinc/86/67/13/531866713.db2.gz JGQYXBRDXGAZSC-UHFFFAOYSA-N 1 0 382.302 1.842 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccccc1I ZINC000595149267 531868207 /nfs/dbraw/zinc/86/82/07/531868207.db2.gz DDJZDQOSWNYJLW-UHFFFAOYSA-N 1 0 387.221 1.250 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000418943045 531868713 /nfs/dbraw/zinc/86/87/13/531868713.db2.gz YFIPKALIUTZBLD-KBPBESRZSA-N 1 0 384.274 1.030 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418858413 531856139 /nfs/dbraw/zinc/85/61/39/531856139.db2.gz VVTUVMWHUNTGNJ-QGZVFWFLSA-N 1 0 382.302 1.880 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCCn1cc(Br)ccc1=O)C1CCCCC1 ZINC000563607024 531856286 /nfs/dbraw/zinc/85/62/86/531856286.db2.gz YOJLSSSBTUTWOA-AWEZNQCLSA-N 1 0 385.306 1.818 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000563609932 531856487 /nfs/dbraw/zinc/85/64/87/531856487.db2.gz QGSAXGSQSXJWFD-CJNGLKHVSA-N 1 0 387.311 1.980 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])c1ccc(Br)cn1 ZINC000418872435 531858608 /nfs/dbraw/zinc/85/86/08/531858608.db2.gz VZWQDBNPJWSEMN-COPLHBTASA-N 1 0 383.290 1.607 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)CCO1 ZINC000642407986 531859771 /nfs/dbraw/zinc/85/97/71/531859771.db2.gz DJTMCRIKARPHQB-JOYOIKCWSA-N 1 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/nfs/dbraw/zinc/87/06/38/531870638.db2.gz VXMNXEDSBQKPFZ-NSHDSACASA-N 1 0 383.495 1.764 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000564960117 531871472 /nfs/dbraw/zinc/87/14/72/531871472.db2.gz CCLOLXTVMYNNSJ-BDAKNGLRSA-N 1 0 391.280 1.553 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cc1F ZINC000564960472 531871800 /nfs/dbraw/zinc/87/18/00/531871800.db2.gz GFYZUPKEWQMFJJ-GFCCVEGCSA-N 1 0 393.506 1.479 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000595245451 531871889 /nfs/dbraw/zinc/87/18/89/531871889.db2.gz RAKQULZEYIPKJL-SSDOTTSWSA-N 1 0 395.628 1.607 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C[C@@H]1C[NH3+] ZINC000418951790 531871991 /nfs/dbraw/zinc/87/19/91/531871991.db2.gz XOCNANQEQXZYTK-PVXIVEMSSA-N 1 0 394.313 1.996 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCCCn1cc(Br)cn1 ZINC000418958137 531872029 /nfs/dbraw/zinc/87/20/29/531872029.db2.gz WRVDDTASIMOUIW-UHFFFAOYSA-N 1 0 388.310 1.176 20 0 GDADRO O=C(NC[C@H]1CSCCS1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283534145 531873122 /nfs/dbraw/zinc/87/31/22/531873122.db2.gz RJMSVLUKEVBRDD-CVEARBPZSA-N 1 0 379.551 1.342 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000595249239 531873215 /nfs/dbraw/zinc/87/32/15/531873215.db2.gz LJQYQDRZDLLLIY-UHFFFAOYSA-N 1 0 399.232 1.488 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418973150 531873635 /nfs/dbraw/zinc/87/36/35/531873635.db2.gz OMGFBJFNQWLFCS-VHSXEESVSA-N 1 0 394.273 1.150 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)C1 ZINC000418966341 531874518 /nfs/dbraw/zinc/87/45/18/531874518.db2.gz NBHPVJWYWOKJOA-JTQLQIEISA-N 1 0 383.279 1.941 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)CC2)C1 ZINC000367893684 531875293 /nfs/dbraw/zinc/87/52/93/531875293.db2.gz MWPWLGJEUOFWJV-LBPRGKRZSA-N 1 0 393.340 1.789 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C[C@H]1[NH+](C)C ZINC000270471468 531875520 /nfs/dbraw/zinc/87/55/20/531875520.db2.gz CHTOUBOCDYIDTL-CVEARBPZSA-N 1 0 383.539 1.480 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000418983426 531875690 /nfs/dbraw/zinc/87/56/90/531875690.db2.gz CDZPVRWWRMRHTM-QLFBSQMISA-N 1 0 394.313 1.878 20 0 GDADRO NC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000644054245 531877269 /nfs/dbraw/zinc/87/72/69/531877269.db2.gz RJUGOESHRYBFPF-MNOVXSKESA-N 1 0 376.201 1.337 20 0 GDADRO Cc1cc(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000418995612 531877708 /nfs/dbraw/zinc/87/77/08/531877708.db2.gz RSWUTZAIKJDZBV-ZDUSSCGKSA-N 1 0 382.302 1.880 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1Br ZINC000419003223 531878677 /nfs/dbraw/zinc/87/86/77/531878677.db2.gz CKKKZBDZOXQHGL-APPDUMDISA-N 1 0 398.301 1.832 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1Br ZINC000419009485 531879037 /nfs/dbraw/zinc/87/90/37/531879037.db2.gz NMSQNYMIRKDAHH-WCQYABFASA-N 1 0 398.301 1.893 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc(F)c(F)cc1I ZINC000566101542 531880340 /nfs/dbraw/zinc/88/03/40/531880340.db2.gz BUWSLJKTAVJEQK-MRVPVSSYSA-N 1 0 395.191 1.203 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1Br ZINC000419013021 531880557 /nfs/dbraw/zinc/88/05/57/531880557.db2.gz YKQQXMPUGNQFAR-AAEUAGOBSA-N 1 0 398.301 1.893 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)s1 ZINC000673581028 531880640 /nfs/dbraw/zinc/88/06/40/531880640.db2.gz QPDSXRKASXGBPA-CYBMUJFWSA-N 1 0 390.575 1.107 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cnc(OC)c(Cl)c2)C1 ZINC000645575206 531880994 /nfs/dbraw/zinc/88/09/94/531880994.db2.gz LATCLYZQSMCPKS-ZDUSSCGKSA-N 1 0 391.921 1.865 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)CCCC2CCOCC2)C1 ZINC000645575514 531881448 /nfs/dbraw/zinc/88/14/48/531881448.db2.gz UHHNDMYIEPYRDN-GOSISDBHSA-N 1 0 376.563 1.956 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000419018688 531882083 /nfs/dbraw/zinc/88/20/83/531882083.db2.gz IERQTJRQRHWGHF-ORHYLEIMSA-N 1 0 396.285 1.775 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000566249508 531882836 /nfs/dbraw/zinc/88/28/36/531882836.db2.gz UUQVNJVHDSJBHZ-LSDHHAIUSA-N 1 0 379.507 1.288 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419027531 531882843 /nfs/dbraw/zinc/88/28/43/531882843.db2.gz WCLQVVFDIZZNLB-ABAIWWIYSA-N 1 0 382.302 1.740 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000673750322 531883283 /nfs/dbraw/zinc/88/32/83/531883283.db2.gz UTHMSXZWWNDULJ-CQSZACIVSA-N 1 0 375.922 1.777 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000419024030 531883508 /nfs/dbraw/zinc/88/35/08/531883508.db2.gz PVHBSLYLWJCTDJ-RISCZKNCSA-N 1 0 396.285 1.457 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419048490 531891447 /nfs/dbraw/zinc/89/14/47/531891447.db2.gz AEKFZGFVUQBORF-TZMCWYRMSA-N 1 0 398.301 1.073 20 0 GDADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000566728371 531893064 /nfs/dbraw/zinc/89/30/64/531893064.db2.gz NDEWDCMNMREQQH-NEPJUHHUSA-N 1 0 387.311 1.142 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000283778696 531893718 /nfs/dbraw/zinc/89/37/18/531893718.db2.gz PXRDZHKYGYSEBR-LBPRGKRZSA-N 1 0 380.286 1.666 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419053689 531893884 /nfs/dbraw/zinc/89/38/84/531893884.db2.gz KLSFVJKQZAJBIR-LALPHHSUSA-N 1 0 382.302 1.692 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419058964 531895038 /nfs/dbraw/zinc/89/50/38/531895038.db2.gz XAMUJVQKKYDFRP-JHJVBQTASA-N 1 0 382.302 1.692 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1OC ZINC000270563165 531895152 /nfs/dbraw/zinc/89/51/52/531895152.db2.gz KWFPMJXCGVYYST-RISCZKNCSA-N 1 0 378.491 1.509 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595949239 531895195 /nfs/dbraw/zinc/89/51/95/531895195.db2.gz YTFIMVDGKUCPON-GULBITTBSA-N 1 0 383.539 1.036 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]CC1)c1sc2c(c1I)CNC2 ZINC000595950453 531896005 /nfs/dbraw/zinc/89/60/05/531896005.db2.gz LSDRWGQDAYKTCD-QMMMGPOBSA-N 1 0 391.278 1.828 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000419067057 531896177 /nfs/dbraw/zinc/89/61/77/531896177.db2.gz KRFPTQHKECRCLN-GFCCVEGCSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000567609542 531899636 /nfs/dbraw/zinc/89/96/36/531899636.db2.gz PBXWYJSYCTXIKJ-DOMZBBRYSA-N 1 0 398.301 1.591 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000419062762 531896549 /nfs/dbraw/zinc/89/65/49/531896549.db2.gz GBGMMMFYKBMHKP-ZDUSSCGKSA-N 1 0 382.302 1.880 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000283800695 531897215 /nfs/dbraw/zinc/89/72/15/531897215.db2.gz AOAYFWJKTHLYNN-HOTGVXAUSA-N 1 0 394.313 1.851 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1sc2c(c1I)CNC2 ZINC000595963516 531899118 /nfs/dbraw/zinc/89/91/18/531899118.db2.gz MCLGDZJRERCUHT-BQBZGAKWSA-N 1 0 379.267 1.812 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCO1 ZINC000647877176 531899138 /nfs/dbraw/zinc/89/91/38/531899138.db2.gz KDCKKTYMELXPAP-NILFDRSVSA-N 1 0 383.901 1.430 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000419038953 531885606 /nfs/dbraw/zinc/88/56/06/531885606.db2.gz GGYYKUHZVHFLLF-IUCAKERBSA-N 1 0 378.420 1.925 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000419038951 531886039 /nfs/dbraw/zinc/88/60/39/531886039.db2.gz GGYYKUHZVHFLLF-BDAKNGLRSA-N 1 0 378.420 1.925 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)c2ccc(OC)c(I)n2)CC1 ZINC000270535211 531888051 /nfs/dbraw/zinc/88/80/51/531888051.db2.gz WFRAIRAISBGYPS-UHFFFAOYSA-N 1 0 389.237 1.863 20 0 GDADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566496016 531888780 /nfs/dbraw/zinc/88/87/80/531888780.db2.gz NQOLUIMAJVHQRJ-SUHUHFCYSA-N 1 0 398.326 1.700 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CCN2C1=O ZINC000566496834 531889340 /nfs/dbraw/zinc/88/93/40/531889340.db2.gz UZFVXFUVPFQRNR-DGCLKSJQSA-N 1 0 392.308 1.011 20 0 GDADRO OCC1(CO)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000595799228 531889613 /nfs/dbraw/zinc/88/96/13/531889613.db2.gz KEBFRCQRCFRDGT-UHFFFAOYSA-N 1 0 391.249 1.737 20 0 GDADRO Cc1sc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000419050217 531890837 /nfs/dbraw/zinc/89/08/37/531890837.db2.gz YDTMIQYLSMONNA-CYBMUJFWSA-N 1 0 378.885 1.948 20 0 GDADRO CN(C(=O)C(=O)NCc1cc(F)ccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000419159157 531905513 /nfs/dbraw/zinc/90/55/13/531905513.db2.gz NQKIGUZTCSKSHU-ZDUSSCGKSA-N 1 0 386.265 1.805 20 0 GDADRO NC(=O)[C@H]1CCCN1CCC[NH2+]Cc1cccc(I)c1 ZINC000283871107 531905699 /nfs/dbraw/zinc/90/56/99/531905699.db2.gz ISQMDYOEVKWLSC-CQSZACIVSA-N 1 0 387.265 1.721 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000368385402 531907743 /nfs/dbraw/zinc/90/77/43/531907743.db2.gz NYNVPUSLHHKOLK-ZDUSSCGKSA-N 1 0 387.299 1.725 20 0 GDADRO O=C(c1ccc(I)c(Cl)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000596098345 531908062 /nfs/dbraw/zinc/90/80/62/531908062.db2.gz LEVJPTWKCOLGNX-UHFFFAOYSA-N 1 0 392.624 1.759 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000648143619 531908651 /nfs/dbraw/zinc/90/86/51/531908651.db2.gz WHISGHIQHPMORT-LSDHHAIUSA-N 1 0 385.555 1.655 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419172049 531908837 /nfs/dbraw/zinc/90/88/37/531908837.db2.gz YKKWPPCYDJZQFX-CHWSQXEVSA-N 1 0 382.302 1.878 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000568505919 531908939 /nfs/dbraw/zinc/90/89/39/531908939.db2.gz FZANIFZOZQLWRZ-GFCCVEGCSA-N 1 0 396.264 1.904 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000419167940 531909143 /nfs/dbraw/zinc/90/91/43/531909143.db2.gz DSGFKERGJITMGL-LLVKDONJSA-N 1 0 386.265 1.457 20 0 GDADRO CC[NH+](CC)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000298666869 531909382 /nfs/dbraw/zinc/90/93/82/531909382.db2.gz HODSBFJTXVZCTR-UHFFFAOYSA-N 1 0 389.905 1.641 20 0 GDADRO CSc1ccc(CCNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000283926182 531909697 /nfs/dbraw/zinc/90/96/97/531909697.db2.gz DWNKHZQGOGSRSP-SFHVURJKSA-N 1 0 381.567 1.621 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000648385268 531910599 /nfs/dbraw/zinc/91/05/99/531910599.db2.gz YRRGXVYZXMJZTI-IACUBPJLSA-N 1 0 382.302 1.614 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccsc1Br ZINC000419184355 531910665 /nfs/dbraw/zinc/91/06/65/531910665.db2.gz NIVRILMBIHLKSM-LLVKDONJSA-N 1 0 376.320 1.959 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2ccsc2Br)[C@@H](C[NH3+])C1 ZINC000419183477 531910689 /nfs/dbraw/zinc/91/06/89/531910689.db2.gz MODADCMJUFYNLE-MNOVXSKESA-N 1 0 390.303 1.092 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000648385269 531910868 /nfs/dbraw/zinc/91/08/68/531910868.db2.gz YRRGXVYZXMJZTI-UBHSHLNASA-N 1 0 382.302 1.614 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCc1ccccc1Br ZINC000419199312 531912220 /nfs/dbraw/zinc/91/22/20/531912220.db2.gz CWHFUXXSZKDNNN-OAHLLOKOSA-N 1 0 384.318 1.940 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000419197734 531912246 /nfs/dbraw/zinc/91/22/46/531912246.db2.gz YIYUYVWPLPHTLZ-UHFFFAOYSA-N 1 0 396.329 1.956 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419207556 531912967 /nfs/dbraw/zinc/91/29/67/531912967.db2.gz PFADTUJGRUIRCN-DGCLKSJQSA-N 1 0 398.301 1.517 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccccc1C(F)(F)F ZINC000675819589 531912960 /nfs/dbraw/zinc/91/29/60/531912960.db2.gz QMFXIYOGFNABTH-CYBMUJFWSA-N 1 0 379.448 1.933 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000568542917 531913045 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377.532 1.121 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000647858597 531900266 /nfs/dbraw/zinc/90/02/66/531900266.db2.gz DYTXEKZVZYFPNB-JTQLQIEISA-N 1 0 380.297 1.482 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C(=O)OC)c1ccccc1Br ZINC000595969588 531901226 /nfs/dbraw/zinc/90/12/26/531901226.db2.gz FWVDIXMNIVIZIM-DGCLKSJQSA-N 1 0 387.230 1.060 20 0 GDADRO CN1CC[C@]2(CCN(S(=O)(=O)c3ccccc3S(=O)(=O)C(F)F)C2)C1 ZINC000368307311 531901620 /nfs/dbraw/zinc/90/16/20/531901620.db2.gz JDIMIVHQBCVBOB-HNNXBMFYSA-N 1 0 394.465 1.399 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1 ZINC000419144917 531903941 /nfs/dbraw/zinc/90/39/41/531903941.db2.gz HBKWLIVYGYDEAM-FZMZJTMJSA-N 1 0 384.274 1.121 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000568764458 531917402 /nfs/dbraw/zinc/91/74/02/531917402.db2.gz QTIKXECEEIOEDO-UONOGXRCSA-N 1 0 389.543 1.217 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)CC[NH2+]1 ZINC000419256899 531917499 /nfs/dbraw/zinc/91/74/99/531917499.db2.gz XXUKNJBFAHDDDO-CDMKHQONSA-N 1 0 398.326 1.969 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)CC[NH2+]1 ZINC000419253373 531917756 /nfs/dbraw/zinc/91/77/56/531917756.db2.gz UGPYYEILDKHGKH-CABZTGNLSA-N 1 0 384.299 1.532 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000419251948 531918213 /nfs/dbraw/zinc/91/82/13/531918213.db2.gz BNEDEIOZQVRFSD-RISCZKNCSA-N 1 0 384.274 1.140 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1)C[NH+]1CCCC1 ZINC000283991555 531918275 /nfs/dbraw/zinc/91/82/75/531918275.db2.gz UFHVYMZQMBYYON-CHWSQXEVSA-N 1 0 397.317 1.869 20 0 GDADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419262352 531919677 /nfs/dbraw/zinc/91/96/77/531919677.db2.gz SOHWDQMDJBDXKU-RISCZKNCSA-N 1 0 384.274 1.188 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCOc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000419263595 531920015 /nfs/dbraw/zinc/92/00/15/531920015.db2.gz WBQICTDAKWCANM-STQMWFEESA-N 1 0 398.301 1.448 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)s1 ZINC000368533399 531920087 /nfs/dbraw/zinc/92/00/87/531920087.db2.gz CIQFJZAGWHQVDK-ZDUSSCGKSA-N 1 0 387.571 1.873 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1csc(Br)c1 ZINC000419273168 531921292 /nfs/dbraw/zinc/92/12/92/531921292.db2.gz AHWCAJPSSXETKB-PSASIEDQSA-N 1 0 390.303 1.356 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419304316 531922612 /nfs/dbraw/zinc/92/26/12/531922612.db2.gz URNFHQKRXQTYSE-WFASDCNBSA-N 1 0 382.302 1.878 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419306273 531922703 /nfs/dbraw/zinc/92/27/03/531922703.db2.gz YCSXXPKHJHYNTB-QGZVFWFLSA-N 1 0 382.302 1.879 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2c(C)cc(Br)cc2C)C1 ZINC000419301860 531922944 /nfs/dbraw/zinc/92/29/44/531922944.db2.gz OQWLJCRWUINSMD-ZDUSSCGKSA-N 1 0 382.302 1.750 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419301384 531922974 /nfs/dbraw/zinc/92/29/74/531922974.db2.gz NTTFHHPBGBZACW-CYBMUJFWSA-N 1 0 382.302 1.798 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000419302935 531923207 /nfs/dbraw/zinc/92/32/07/531923207.db2.gz NKBCOLGFMBDRSU-JGVFFNPUSA-N 1 0 380.392 1.007 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCCc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000284045706 531923635 /nfs/dbraw/zinc/92/36/35/531923635.db2.gz NEONLZJOALVFRU-GFCCVEGCSA-N 1 0 382.302 1.707 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000626166778 531924475 /nfs/dbraw/zinc/92/44/75/531924475.db2.gz FXHCCHQPRCYWHC-LSDHHAIUSA-N 1 0 390.933 1.649 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419212299 531914406 /nfs/dbraw/zinc/91/44/06/531914406.db2.gz ZNGICILMEJIEHB-CYBMUJFWSA-N 1 0 384.274 1.332 20 0 GDADRO C[C@@H](CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)n1cc(Br)cn1 ZINC000648824691 531914792 /nfs/dbraw/zinc/91/47/92/531914792.db2.gz BXQPOLRHWUQECI-SWLSCSKDSA-N 1 0 385.306 1.966 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419211907 531915043 /nfs/dbraw/zinc/91/50/43/531915043.db2.gz YNRKHKUKVKRWSL-CYBMUJFWSA-N 1 0 384.274 1.414 20 0 GDADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C[C@H]1C ZINC000677177792 531915507 /nfs/dbraw/zinc/91/55/07/531915507.db2.gz WEXZFRQCMNJJAJ-CABCVRRESA-N 1 0 385.555 1.844 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1ccccc1Br ZINC000283970925 531915886 /nfs/dbraw/zinc/91/58/86/531915886.db2.gz ZJTXFIIYYGWMDK-SWLSCSKDSA-N 1 0 382.302 1.864 20 0 GDADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000270728013 531916216 /nfs/dbraw/zinc/91/62/16/531916216.db2.gz GTIWSQZSIHGRKE-LBPRGKRZSA-N 1 0 383.290 1.058 20 0 GDADRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000568761494 531916279 /nfs/dbraw/zinc/91/62/79/531916279.db2.gz WYGUACCYVDVSQX-GGZOMVNGSA-N 1 0 379.276 1.161 20 0 GDADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419239928 531916791 /nfs/dbraw/zinc/91/67/91/531916791.db2.gz FMKLMYAYLLLNKB-CMPLNLGQSA-N 1 0 384.299 1.580 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419365101 531929782 /nfs/dbraw/zinc/92/97/82/531929782.db2.gz XJGDDPPRFAQJOI-UHFFFAOYSA-N 1 0 398.301 1.580 20 0 GDADRO CC[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])Cc1cccc(Br)c1 ZINC000419358079 531929889 /nfs/dbraw/zinc/92/98/89/531929889.db2.gz IJTVYRXUUZPGMU-STQMWFEESA-N 1 0 384.318 1.988 20 0 GDADRO CC[C@H](CNC(=O)C(=O)N(C)CC[NH2+]C)Cc1cccc(Br)c1 ZINC000419360287 531929984 /nfs/dbraw/zinc/92/99/84/531929984.db2.gz LLKJGTLFVXFBJC-ZDUSSCGKSA-N 1 0 384.318 1.812 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000284122761 531931554 /nfs/dbraw/zinc/93/15/54/531931554.db2.gz CXYAGFLMQMWUQF-RDBSUJKOSA-N 1 0 380.539 1.503 20 0 GDADRO CN1CCOC[C@H]1CNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000626481321 531931651 /nfs/dbraw/zinc/93/16/51/531931651.db2.gz ADRYGHOINFGYTE-LLVKDONJSA-N 1 0 377.413 1.480 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(O)c(Br)c1 ZINC000419414747 531931860 /nfs/dbraw/zinc/93/18/60/531931860.db2.gz UMLYMANVEPXXGG-MFKMUULPSA-N 1 0 384.274 1.499 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1Br ZINC000419441791 531933178 /nfs/dbraw/zinc/93/31/78/531933178.db2.gz NERQKBQWOGOHGV-RISCZKNCSA-N 1 0 398.301 1.660 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1Br ZINC000419447688 531933391 /nfs/dbraw/zinc/93/33/91/531933391.db2.gz VPDCYQRENRDBSF-LBPRGKRZSA-N 1 0 398.301 1.661 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000419442287 531933777 /nfs/dbraw/zinc/93/37/77/531933777.db2.gz NVMHKPUWXAWLOL-MFKMUULPSA-N 1 0 384.274 1.188 20 0 GDADRO Cc1ccc(F)cc1S(=O)(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000570078907 531934063 /nfs/dbraw/zinc/93/40/63/531934063.db2.gz CPECLTLEDKKSON-OAHLLOKOSA-N 1 0 392.518 1.264 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419474602 531934961 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[NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)C1 ZINC000419567402 531937203 /nfs/dbraw/zinc/93/72/03/531937203.db2.gz ILSSAXGKKUAJSB-NSHDSACASA-N 1 0 388.299 1.504 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000419570032 531937365 /nfs/dbraw/zinc/93/73/65/531937365.db2.gz MYRWFYWTRCQJNE-MNOVXSKESA-N 1 0 388.299 1.360 20 0 GDADRO Cc1nc(CS(=O)(=O)NCc2cccnc2N2CC[NH+](C)CC2)cs1 ZINC000684098090 531937714 /nfs/dbraw/zinc/93/77/14/531937714.db2.gz CHFOKRGLKPEXHQ-UHFFFAOYSA-N 1 0 381.527 1.218 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)C[C@H]1[NH3+] ZINC000626839366 531937837 /nfs/dbraw/zinc/93/78/37/531937837.db2.gz JDBNZOMFNKJCJS-ZWNOBZJWSA-N 1 0 378.270 1.633 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000626837217 531937959 /nfs/dbraw/zinc/93/79/59/531937959.db2.gz NMWTYGWZEMDFNC-GWCFXTLKSA-N 1 0 378.270 1.775 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000298836657 531928211 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GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000457748103 531959527 /nfs/dbraw/zinc/95/95/27/531959527.db2.gz YMOHTIBWFPWKKV-CYBMUJFWSA-N 1 0 390.315 1.946 20 0 GDADRO CS(=O)(=O)N1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000572167467 531959948 /nfs/dbraw/zinc/95/99/48/531959948.db2.gz GPODZFFTBMMDTE-AWEZNQCLSA-N 1 0 385.917 1.568 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(Br)s1 ZINC000419717320 531960900 /nfs/dbraw/zinc/96/09/00/531960900.db2.gz USIMRZDQMKLYCX-VHSXEESVSA-N 1 0 390.303 1.183 20 0 GDADRO COc1ncc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1Cl ZINC000284469931 531961396 /nfs/dbraw/zinc/96/13/96/531961396.db2.gz UHHAYUPXTLYVTF-JSGCOSHPSA-N 1 0 391.921 1.883 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627445677 531952260 /nfs/dbraw/zinc/95/22/60/531952260.db2.gz UTKZOMATDIATCU-NSHDSACASA-N 1 0 386.315 1.870 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000627455639 531952353 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CN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627441800 531952861 /nfs/dbraw/zinc/95/28/61/531952861.db2.gz SZUYXRLKXCAIMQ-CQSZACIVSA-N 1 0 380.286 1.808 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000627458760 531952880 /nfs/dbraw/zinc/95/28/80/531952880.db2.gz PBIWAIGKTWLSNZ-LSDHHAIUSA-N 1 0 398.276 1.730 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2ccc(Br)o2)C1 ZINC000284370940 531953675 /nfs/dbraw/zinc/95/36/75/531953675.db2.gz UCOSFPMONUMAFQ-LBPRGKRZSA-N 1 0 386.290 1.849 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000419753184 531965088 /nfs/dbraw/zinc/96/50/88/531965088.db2.gz XZGHJIPJPVEEDA-MRXNPFEDSA-N 1 0 394.313 1.612 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000627825730 531966269 /nfs/dbraw/zinc/96/62/69/531966269.db2.gz FARHKTSGJOGPLM-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000419756529 531966722 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20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419803792 531970757 /nfs/dbraw/zinc/97/07/57/531970757.db2.gz COVQKUHUPDDILB-IUODEOHRSA-N 1 0 382.302 1.836 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1cc(F)cc(Br)c1 ZINC000419785960 531971514 /nfs/dbraw/zinc/97/15/14/531971514.db2.gz XQKKTGAKPOSECM-IINYFYTJSA-N 1 0 386.265 1.963 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271147249 531973018 /nfs/dbraw/zinc/97/30/18/531973018.db2.gz WTAMPQIOJRMLIY-LBPRGKRZSA-N 1 0 389.905 1.166 20 0 GDADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572986661 531973701 /nfs/dbraw/zinc/97/37/01/531973701.db2.gz PAGNAIBIJGHPNI-YPMHNXCESA-N 1 0 392.253 1.888 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419813454 531974185 /nfs/dbraw/zinc/97/41/85/531974185.db2.gz ILZLEMNOGQMVKJ-GFCCVEGCSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419817309 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COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1F ZINC000598725200 531992704 /nfs/dbraw/zinc/99/27/04/531992704.db2.gz VERQFRQERKGNLU-RFAUZJTJSA-N 1 0 376.837 1.768 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000419989627 531992909 /nfs/dbraw/zinc/99/29/09/531992909.db2.gz GYPNXZYSVDWDDE-LBPRGKRZSA-N 1 0 380.286 1.918 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419857223 531979331 /nfs/dbraw/zinc/97/93/31/531979331.db2.gz ZJFKFOZMUAVMDB-UHFFFAOYSA-N 1 0 394.313 1.807 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419862687 531979384 /nfs/dbraw/zinc/97/93/84/531979384.db2.gz NCRFMVJBXZKSHT-AWEZNQCLSA-N 1 0 386.265 1.790 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N(Cc1cc(Br)ccc1F)C1CC1)C1CC1 ZINC000419860154 531979637 /nfs/dbraw/zinc/97/96/37/531979637.db2.gz KNJOUUOTOKKOBO-OAHLLOKOSA-N 1 0 398.276 1.933 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NCCC[NH2+]C1CC1)CC2 ZINC000419859403 531979712 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C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000574572385 531995713 /nfs/dbraw/zinc/99/57/13/531995713.db2.gz QNZBODFDIXJGDZ-ZJUUUORDSA-N 1 0 386.265 1.715 20 0 GDADRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3ccc(Cl)c(S(N)(=O)=O)c3)C2)cn1 ZINC000631080054 531996611 /nfs/dbraw/zinc/99/66/11/531996611.db2.gz WAAZYKRUKVIEGR-CYBMUJFWSA-N 1 0 383.905 1.480 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1)C1CC1 ZINC000420023256 531997204 /nfs/dbraw/zinc/99/72/04/531997204.db2.gz ALSHRFBLTXKSPC-INIZCTEOSA-N 1 0 392.297 1.918 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000458857267 531998084 /nfs/dbraw/zinc/99/80/84/531998084.db2.gz FPTHANMJCHPJGN-MRXNPFEDSA-N 1 0 389.283 1.688 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)Cc1ccc(Br)o1 ZINC000420023006 531998339 /nfs/dbraw/zinc/99/83/39/531998339.db2.gz AIJWJUNHIQILBT-KOLCDFICSA-N 1 0 388.262 1.230 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000420001053 531995015 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C[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)Oc1ccc(Br)cc1 ZINC000460272306 532042172 /nfs/dbraw/zinc/04/21/72/532042172.db2.gz WZDWNCRRKGCBSV-WBMJQRKESA-N 1 0 386.290 1.582 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000460663974 532046249 /nfs/dbraw/zinc/04/62/49/532046249.db2.gz VPADJZLUNNLRSD-BFYDXBDKSA-N 1 0 375.535 1.142 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000271749658 532048204 /nfs/dbraw/zinc/04/82/04/532048204.db2.gz HGAHEZHVNNVHNX-GFCCVEGCSA-N 1 0 383.495 1.556 20 0 GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600669222 532049600 /nfs/dbraw/zinc/04/96/00/532049600.db2.gz JSDYBUJVOSZWSK-IMRBUKKESA-N 1 0 380.491 1.868 20 0 GDADRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000311002818 532053992 /nfs/dbraw/zinc/05/39/92/532053992.db2.gz KAXJWCHWADKQCR-LBPRGKRZSA-N 1 0 380.251 1.651 20 0 GDADRO CS[C@@H]1CN(C(=O)CCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1[NH+](C)C ZINC000271799492 532054161 /nfs/dbraw/zinc/05/41/61/532054161.db2.gz MYVXVXGDGPSVOT-HZPDHXFCSA-N 1 0 386.539 1.363 20 0 GDADRO COC(=O)CC1([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000579126309 532056027 /nfs/dbraw/zinc/05/60/27/532056027.db2.gz LLUFOMRIJKUYIO-UHFFFAOYSA-N 1 0 376.272 1.908 20 0 GDADRO Cn1cc(Br)c(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000634716705 532056180 /nfs/dbraw/zinc/05/61/80/532056180.db2.gz YNBNVELRHSRJBD-KRWDZBQOSA-N 1 0 379.302 1.909 20 0 GDADRO Nc1cccc(C[NH+]2CCN(c3ncc(I)cn3)CC2)c1 ZINC000601326458 532060286 /nfs/dbraw/zinc/06/02/86/532060286.db2.gz NIHCTFQSLWXSSS-UHFFFAOYSA-N 1 0 395.248 1.986 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000320477445 532066796 /nfs/dbraw/zinc/06/67/96/532066796.db2.gz GLNNTJYNIUMJHX-BDAKNGLRSA-N 1 0 381.292 1.870 20 0 GDADRO CC[NH+]1CCN(CC(=O)Nc2cc(Br)ccc2NC(C)=O)CC1 ZINC000469154725 532069372 /nfs/dbraw/zinc/06/93/72/532069372.db2.gz YFOBKQAOLXXECU-UHFFFAOYSA-N 1 0 383.290 1.984 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)s1 ZINC000285329727 532068372 /nfs/dbraw/zinc/06/83/72/532068372.db2.gz NSLKGPMTWFMDOU-HIFRSBDPSA-N 1 0 385.555 1.674 20 0 GDADRO COCCOc1ccc(F)cc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000469188055 532071940 /nfs/dbraw/zinc/07/19/40/532071940.db2.gz RNHBHCXQMDIWHZ-DZGCQCFKSA-N 1 0 392.518 1.517 20 0 GDADRO CC(C)Oc1ccc([C@H](CNc2ncc(S(N)(=O)=O)s2)[NH+](C)C)cc1 ZINC000579995388 532070069 /nfs/dbraw/zinc/07/00/69/532070069.db2.gz IXXIOEWJNASHEK-AWEZNQCLSA-N 1 0 384.527 2.293 20 0 GDADRO COc1cc(C)c(Br)cc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000285345898 532070953 /nfs/dbraw/zinc/07/09/53/532070953.db2.gz DFQWIHWFPOHZKI-CQSZACIVSA-N 1 0 398.301 1.836 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000423078107 532070998 /nfs/dbraw/zinc/07/09/98/532070998.db2.gz NUYSDRQWXHYKMB-CYBMUJFWSA-N 1 0 380.286 1.747 20 0 GDADRO C[C@H](C[C@H]1COCCN1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423103866 532072986 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COc1ccc(Br)c(CN(C)C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000423499798 532076570 /nfs/dbraw/zinc/07/65/70/532076570.db2.gz JVXOVHWNHOASRE-VXGBXAGGSA-N 1 0 398.301 1.625 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000326724167 532078759 /nfs/dbraw/zinc/07/87/59/532078759.db2.gz CITOJGUXGVYWMI-ZDUSSCGKSA-N 1 0 389.543 1.189 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000423709674 532078965 /nfs/dbraw/zinc/07/89/65/532078965.db2.gz IVOPXUBOCROIIR-AWEZNQCLSA-N 1 0 382.302 1.833 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)[C@H]1C[NH3+] ZINC000423717640 532079049 /nfs/dbraw/zinc/07/90/49/532079049.db2.gz BFGIRAVMOONBGD-DOMZBBRYSA-N 1 0 382.302 1.993 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000423705581 532079134 /nfs/dbraw/zinc/07/91/34/532079134.db2.gz OVPXBNSSBFNARC-WFASDCNBSA-N 1 0 397.317 1.658 20 0 GDADRO COC(=O)c1[nH]c(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1C ZINC000602706708 532081914 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Cc1nn2cc(S(=O)(=O)NC3CC[NH+](CC4CC4)CC3)cnc2c1Cl ZINC000329137616 532096717 /nfs/dbraw/zinc/09/67/17/532096717.db2.gz RNBPFXNTYAPIPS-UHFFFAOYSA-N 1 0 383.905 1.844 20 0 GDADRO C[NH2+]CCNC(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000424481206 532096662 /nfs/dbraw/zinc/09/66/62/532096662.db2.gz QVMCPJDSOMQXOQ-KGLIPLIRSA-N 1 0 384.274 1.567 20 0 GDADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2n[nH]cc2Br)c1 ZINC000606126796 532101642 /nfs/dbraw/zinc/10/16/42/532101642.db2.gz VTJUGLCQSISHNH-UHFFFAOYSA-N 1 0 380.246 1.489 20 0 GDADRO CN(CC(=O)N1CC[NH+](C2CCC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000329302599 532102605 /nfs/dbraw/zinc/10/26/05/532102605.db2.gz WWEREHAZGWMSQF-UHFFFAOYSA-N 1 0 385.917 1.657 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424644775 532102734 /nfs/dbraw/zinc/10/27/34/532102734.db2.gz HGBGXVVIKAZRLH-GFCCVEGCSA-N 1 0 395.301 1.885 20 0 GDADRO C[C@H](CNC(=O)c1cn2ccc(Br)cc2n1)N1CC[NH+](C)CC1 ZINC000285711043 532107202 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GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)ccc1Cl ZINC000286003778 532125172 /nfs/dbraw/zinc/12/51/72/532125172.db2.gz IWJMQHMYSKOEST-UEKVPHQBSA-N 1 0 389.905 1.638 20 0 GDADRO CCCCS(=O)(=O)N1CCC(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)CC1 ZINC000330498376 532125760 /nfs/dbraw/zinc/12/57/60/532125760.db2.gz AUYWYDFNCVWQSP-CVEARBPZSA-N 1 0 391.603 1.332 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCCO[C@H]2CCCCO2)C1 ZINC000374520481 532125912 /nfs/dbraw/zinc/12/59/12/532125912.db2.gz MWFZQHWHWKHRLR-SJORKVTESA-N 1 0 378.535 1.292 20 0 GDADRO O=C(c1ccc(Br)s1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374526633 532126153 /nfs/dbraw/zinc/12/61/53/532126153.db2.gz KCHDDPQEBNUGBM-UHFFFAOYSA-N 1 0 389.315 1.810 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cnc1Br ZINC000272984001 532126590 /nfs/dbraw/zinc/12/65/90/532126590.db2.gz QQVJAUAHNPBMMA-YPMHNXCESA-N 1 0 381.274 1.644 20 0 GDADRO CN(CC[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O)S(=O)(=O)c1cccs1 ZINC000273037697 532130466 /nfs/dbraw/zinc/13/04/66/532130466.db2.gz UIWKODZHVNFSAT-CQSZACIVSA-N 1 0 385.486 1.194 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)C[C@H]21 ZINC000374620584 532130734 /nfs/dbraw/zinc/13/07/34/532130734.db2.gz GSBGEKYWPQYBCY-MGPQQGTHSA-N 1 0 383.539 1.732 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000273059638 532131321 /nfs/dbraw/zinc/13/13/21/532131321.db2.gz SLESWJFRMNGMTG-HOCLYGCPSA-N 1 0 385.555 1.121 20 0 GDADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000273059081 532131338 /nfs/dbraw/zinc/13/13/38/532131338.db2.gz LBEXHWLGVHDFQR-SNVBAGLBSA-N 1 0 382.258 1.946 20 0 GDADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000273477098 532151995 /nfs/dbraw/zinc/15/19/95/532151995.db2.gz POGSCPIBRPWGLC-NSHDSACASA-N 1 0 380.919 1.115 20 0 GDADRO Cc1ccc(Cl)c(OC[C@H](O)CN2CC[C@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000374951783 532142995 /nfs/dbraw/zinc/14/29/95/532142995.db2.gz WCHBEDMIFFNBMM-CABCVRRESA-N 1 0 390.933 1.790 20 0 GDADRO CS(=O)(=O)CCCCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000425644572 532144448 /nfs/dbraw/zinc/14/44/48/532144448.db2.gz MUNRYPRSJGXZJL-UHFFFAOYSA-N 1 0 375.535 1.146 20 0 GDADRO COCC(C)(C)[NH+]1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000425681820 532146261 /nfs/dbraw/zinc/14/62/61/532146261.db2.gz JISDORHXYAEUQH-UHFFFAOYSA-N 1 0 375.535 1.094 20 0 GDADRO CS[C@@H]1CN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000331523595 532147553 /nfs/dbraw/zinc/14/75/53/532147553.db2.gz GCRZHRZVQFOLQN-UONOGXRCSA-N 1 0 387.527 1.182 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000331538378 532148191 /nfs/dbraw/zinc/14/81/91/532148191.db2.gz QDWGFJSPDVAVAR-SNVBAGLBSA-N 1 0 388.287 1.063 20 0 GDADRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000332124562 532165609 /nfs/dbraw/zinc/16/56/09/532165609.db2.gz FLLIAAQCHHCAGO-ZDUSSCGKSA-N 1 0 393.285 1.712 20 0 GDADRO CC[C@H]1CN(CCNC(=O)NCc2ccc(S(C)(=O)=O)s2)CCO1 ZINC000426236026 532165706 /nfs/dbraw/zinc/16/57/06/532165706.db2.gz GGTOLZOYLASMQB-LBPRGKRZSA-N 1 0 375.516 1.062 20 0 GDADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000286662014 532167978 /nfs/dbraw/zinc/16/79/78/532167978.db2.gz URERVMPPVDDDMG-INIZCTEOSA-N 1 0 387.274 1.268 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000332177342 532168129 /nfs/dbraw/zinc/16/81/29/532168129.db2.gz RGQRQZDVJLDEIN-DGCLKSJQSA-N 1 0 380.286 1.530 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC=C(c3cccc(Br)c3)CC2)C[C@H]1[NH3+] ZINC000332172791 532168466 /nfs/dbraw/zinc/16/84/66/532168466.db2.gz WMRVTXRGUOWELH-MLGOLLRUSA-N 1 0 392.297 1.870 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C[C@H]1[NH3+] ZINC000332183231 532168976 /nfs/dbraw/zinc/16/89/76/532168976.db2.gz OAQBHABYLMREEG-UXIGCNINSA-N 1 0 380.286 1.571 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)C[C@H]1[NH+](C)C ZINC000332183371 532169159 /nfs/dbraw/zinc/16/91/59/532169159.db2.gz VZCUSPRCMFYFRD-CVEARBPZSA-N 1 0 384.502 1.678 20 0 GDADRO CC[C@@]1(O)CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000425916453 532158036 /nfs/dbraw/zinc/15/80/36/532158036.db2.gz IQLJPBBDKLHJKH-MRXNPFEDSA-N 1 0 384.274 1.351 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccncc1I ZINC000273669539 532163958 /nfs/dbraw/zinc/16/39/58/532163958.db2.gz DJVPQBCVOSFAQV-JTQLQIEISA-N 1 0 389.241 1.054 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc(C)c1Br ZINC000426200019 532164789 /nfs/dbraw/zinc/16/47/89/532164789.db2.gz FSDMRSMEWFKRRV-MRXNPFEDSA-N 1 0 384.274 1.187 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC[C@H]1[NH3+] ZINC000332288580 532178211 /nfs/dbraw/zinc/17/82/11/532178211.db2.gz SOGFGPRHROIXRG-NOZJJQNGSA-N 1 0 384.249 1.673 20 0 GDADRO NC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000375738569 532181650 /nfs/dbraw/zinc/18/16/50/532181650.db2.gz PLXQKIYKEHAMLX-AWEZNQCLSA-N 1 0 379.507 1.647 20 0 GDADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332370760 532183260 /nfs/dbraw/zinc/18/32/60/532183260.db2.gz YVPALYYANYANRB-BDAKNGLRSA-N 1 0 388.212 1.734 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)s1 ZINC000286720611 532171316 /nfs/dbraw/zinc/17/13/16/532171316.db2.gz NIJXVJALSSBKHB-NWDGAFQWSA-N 1 0 388.511 1.791 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C[C@H]1C[NH3+] ZINC000332231243 532172443 /nfs/dbraw/zinc/17/24/43/532172443.db2.gz DPUJBLAPCMRPNG-DGCLKSJQSA-N 1 0 380.286 1.782 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1F ZINC000286766955 532174018 /nfs/dbraw/zinc/17/40/18/532174018.db2.gz QCXQMJOOYXPDCG-NSHDSACASA-N 1 0 381.495 1.204 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000332254638 532174747 /nfs/dbraw/zinc/17/47/47/532174747.db2.gz CMMQFKRUFOEGBD-IUCAKERBSA-N 1 0 388.212 1.734 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)CCCO1 ZINC000332250469 532175166 /nfs/dbraw/zinc/17/51/66/532175166.db2.gz YAYVHMSYNZDYSA-SECBINFHSA-N 1 0 383.695 1.841 20 0 GDADRO CC(=O)OCCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000286794817 532176803 /nfs/dbraw/zinc/17/68/03/532176803.db2.gz HCBNQVRDSFBIMJ-UHFFFAOYSA-N 1 0 378.441 1.611 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375968977 532191038 /nfs/dbraw/zinc/19/10/38/532191038.db2.gz MGCSCYORFYCVME-HNNXBMFYSA-N 1 0 376.254 1.614 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332540848 532193502 /nfs/dbraw/zinc/19/35/02/532193502.db2.gz CUNQNRJTODPDBA-QWRGUYRKSA-N 1 0 384.249 1.903 20 0 GDADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000427927048 532194351 /nfs/dbraw/zinc/19/43/51/532194351.db2.gz ULNRANGHMZOTQV-VIFPVBQESA-N 1 0 378.292 1.344 20 0 GDADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332546105 532194398 /nfs/dbraw/zinc/19/43/98/532194398.db2.gz GKRDNWBCWYUYKI-PRHODGIISA-N 1 0 388.212 1.876 20 0 GDADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000427938909 532194791 /nfs/dbraw/zinc/19/47/91/532194791.db2.gz RPZZUUUMKIVJAW-NSHDSACASA-N 1 0 381.420 1.775 20 0 GDADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000427927630 532194812 /nfs/dbraw/zinc/19/48/12/532194812.db2.gz BVMGAMOYZDUMAB-AWEZNQCLSA-N 1 0 389.543 1.267 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)CC[C@H]1[NH3+] ZINC000332567255 532196067 /nfs/dbraw/zinc/19/60/67/532196067.db2.gz ADSPEFWZYDZVJY-ZUZCIYMTSA-N 1 0 398.276 1.669 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000332585904 532197593 /nfs/dbraw/zinc/19/75/93/532197593.db2.gz KWIPFOPFZHXDNI-GJZGRUSLSA-N 1 0 380.576 1.241 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)CC[NH2+]1 ZINC000332618244 532201124 /nfs/dbraw/zinc/20/11/24/532201124.db2.gz QPUQYTSUABLIKD-VXGBXAGGSA-N 1 0 380.286 1.543 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)s1 ZINC000286931561 532185865 /nfs/dbraw/zinc/18/58/65/532185865.db2.gz BRZNXHHZTIXHLU-JSGCOSHPSA-N 1 0 386.543 1.424 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000332443867 532186375 /nfs/dbraw/zinc/18/63/75/532186375.db2.gz CTHSJIZZNUIDJV-ABAIWWIYSA-N 1 0 380.286 1.448 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375852041 532186737 /nfs/dbraw/zinc/18/67/37/532186737.db2.gz NDQUWYNMKRSGAZ-HNNXBMFYSA-N 1 0 380.432 1.936 20 0 GDADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000332453090 532187757 /nfs/dbraw/zinc/18/77/57/532187757.db2.gz GUPLAGMCFJYCTH-UHFFFAOYSA-N 1 0 393.506 1.302 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000375940426 532189855 /nfs/dbraw/zinc/18/98/55/532189855.db2.gz GGCUOAOBEYKIDO-HIFRSBDPSA-N 1 0 383.539 1.286 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N3CC[NH2+][C@H](C)C3)C2=O)ccc1Br ZINC000332680173 532205287 /nfs/dbraw/zinc/20/52/87/532205287.db2.gz REWGNCCEDHIXAI-DOMZBBRYSA-N 1 0 395.301 1.866 20 0 GDADRO [NH3+]C1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000332687492 532205735 /nfs/dbraw/zinc/20/57/35/532205735.db2.gz QGRPMAPZDCPPNF-CQSZACIVSA-N 1 0 381.274 1.687 20 0 GDADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@H]1[NH3+] ZINC000332709499 532207078 /nfs/dbraw/zinc/20/70/78/532207078.db2.gz UXXBOGYBCCFYDO-DFBGVHRSSA-N 1 0 395.301 1.933 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cs1 ZINC000428536162 532209692 /nfs/dbraw/zinc/20/96/92/532209692.db2.gz RCGQMOQLIBNRPH-CQSZACIVSA-N 1 0 381.479 1.214 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000274418008 532209756 /nfs/dbraw/zinc/20/97/56/532209756.db2.gz KLWYECXAGPKQAZ-UHFFFAOYSA-N 1 0 398.305 1.519 20 0 GDADRO COc1cc(I)c(C(=O)N[C@@H](C)C[NH+](C)C)cc1OC ZINC000287355205 532210410 /nfs/dbraw/zinc/21/04/10/532210410.db2.gz ZZKSUUDQVYGMBS-VIFPVBQESA-N 1 0 392.237 1.988 20 0 GDADRO C[C@H](C[NH3+])NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000274441693 532210933 /nfs/dbraw/zinc/21/09/33/532210933.db2.gz QJJTZWBFCOHZCI-GFCCVEGCSA-N 1 0 379.507 1.572 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428614740 532212664 /nfs/dbraw/zinc/21/26/64/532212664.db2.gz HANOUNFYLUQJRM-AWEZNQCLSA-N 1 0 380.286 1.733 20 0 GDADRO O=C(c1c(F)cccc1Br)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428625480 532213723 /nfs/dbraw/zinc/21/37/23/532213723.db2.gz OWOYBWYAISCOIM-GFCCVEGCSA-N 1 0 398.276 1.872 20 0 GDADRO CS(=O)(=O)c1ccc(CNc2cc(-n3cccn3)nc(N)[nH+]2)cc1Cl ZINC000428673823 532214505 /nfs/dbraw/zinc/21/45/05/532214505.db2.gz VEWIPRNDLNMTNI-UHFFFAOYSA-N 1 0 378.845 1.914 20 0 GDADRO C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428767594 532216503 /nfs/dbraw/zinc/21/65/03/532216503.db2.gz RWFQIEXXASTKCA-NWDGAFQWSA-N 1 0 397.324 1.699 20 0 GDADRO COCn1nc(C)c(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1C ZINC000333074609 532218360 /nfs/dbraw/zinc/21/83/60/532218360.db2.gz VRFIBBJGKCDGEP-GJZGRUSLSA-N 1 0 388.559 1.304 20 0 GDADRO C[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 ZINC000274571362 532218708 /nfs/dbraw/zinc/21/87/08/532218708.db2.gz BZRMPEZGGMLVDC-ZNMIVQPWSA-N 1 0 386.539 1.278 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000332640813 532202573 /nfs/dbraw/zinc/20/25/73/532202573.db2.gz ZNSJEIKCNUODNU-XJKSGUPXSA-N 1 0 387.933 1.807 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)C[C@H](C)[NH2+]1 ZINC000332644775 532203621 /nfs/dbraw/zinc/20/36/21/532203621.db2.gz XWXNTTYPMFLFRF-RYUDHWBXSA-N 1 0 380.286 1.543 20 0 GDADRO C[C@@H](NC(=O)CCC(=O)N(C)[C@@H](C)C[NH3+])C(=O)c1ccc(Br)cc1 ZINC000429341134 532227527 /nfs/dbraw/zinc/22/75/27/532227527.db2.gz YFFWXKSDIXSMEJ-NWDGAFQWSA-N 1 0 398.301 1.722 20 0 GDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2CSCCS2)o1 ZINC000287615551 532227651 /nfs/dbraw/zinc/22/76/51/532227651.db2.gz NFRDNEAWEADMFT-HNNXBMFYSA-N 1 0 385.555 1.443 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000429436140 532228705 /nfs/dbraw/zinc/22/87/05/532228705.db2.gz VWLFFLHXFNQCLY-OAHLLOKOSA-N 1 0 390.347 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385.917 1.710 20 0 GDADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCc1ccsc1Br ZINC000287556804 532223255 /nfs/dbraw/zinc/22/32/55/532223255.db2.gz KRJXGBMEXCWFIA-UHFFFAOYSA-N 1 0 376.320 1.925 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)C[C@H]1[NH+]1CCCC1 ZINC000333171288 532223387 /nfs/dbraw/zinc/22/33/87/532223387.db2.gz NUGDTOHSMFEAED-RRFJBIMHSA-N 1 0 384.571 1.981 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000429149085 532223675 /nfs/dbraw/zinc/22/36/75/532223675.db2.gz GEXJNLVLXYLJOL-CYBMUJFWSA-N 1 0 382.258 1.535 20 0 GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000287568603 532224371 /nfs/dbraw/zinc/22/43/71/532224371.db2.gz BSDARTMHWDLPLN-UONOGXRCSA-N 1 0 386.543 1.295 20 0 GDADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(Cl)cn1 ZINC000274916500 532242116 /nfs/dbraw/zinc/24/21/16/532242116.db2.gz OIFRBNALDORJAY-GFCCVEGCSA-N 1 0 383.905 1.972 20 0 GDADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000333645174 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C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)cn1 ZINC000288071342 532261957 /nfs/dbraw/zinc/26/19/57/532261957.db2.gz CVUXKKIKTLWQJN-WCQYABFASA-N 1 0 383.290 1.574 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)C[C@@H]1[NH+]1CCCC1 ZINC000275080041 532262624 /nfs/dbraw/zinc/26/26/24/532262624.db2.gz DXOLRLKERWYWCS-JSGCOSHPSA-N 1 0 387.527 1.182 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000275221888 532278155 /nfs/dbraw/zinc/27/81/55/532278155.db2.gz DKZYNEPXWGOJNP-LLVKDONJSA-N 1 0 381.889 1.861 20 0 GDADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377988997 532278932 /nfs/dbraw/zinc/27/89/32/532278932.db2.gz DWNXSUIPGTUFAI-DTWKUNHWSA-N 1 0 381.242 1.957 20 0 GDADRO CS[C@@H]1CN(C(=O)CSc2nnc3ccccn32)C[C@H]1[NH+]1CCCC1 ZINC000275233511 532279571 /nfs/dbraw/zinc/27/95/71/532279571.db2.gz FOQKSUVHFZMCLB-ZIAGYGMSSA-N 1 0 377.539 1.860 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(C)ccc2S(N)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000275248315 532280359 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GDADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCCS(=O)(=O)NC(C)C ZINC000431786750 532274033 /nfs/dbraw/zinc/27/40/33/532274033.db2.gz STBTXAQAVKKSMB-HOTGVXAUSA-N 1 0 376.567 1.514 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000380401391 532295186 /nfs/dbraw/zinc/29/51/86/532295186.db2.gz DLNQDJHABARLCD-UHFFFAOYSA-N 1 0 387.221 1.360 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000288552815 532296027 /nfs/dbraw/zinc/29/60/27/532296027.db2.gz KCKUAALFEDTFIC-GFCCVEGCSA-N 1 0 397.317 1.822 20 0 GDADRO O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C(=O)N1CC[NH2+]CC1 ZINC000387236383 532296541 /nfs/dbraw/zinc/29/65/41/532296541.db2.gz JXGCQJBEHXKLSX-UHFFFAOYSA-N 1 0 380.164 1.838 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)c1c(Cl)cccc1Br ZINC000389825425 532297007 /nfs/dbraw/zinc/29/70/07/532297007.db2.gz SCOACXUXIPHICZ-VIFPVBQESA-N 1 0 383.695 1.759 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275484025 532297296 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1.482 20 0 GDADRO CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH+](CCNS(C)(=O)=O)CC2 ZINC000276432823 532329377 /nfs/dbraw/zinc/32/93/77/532329377.db2.gz LVZUVBAORWJIFN-INIZCTEOSA-N 1 0 385.555 1.500 20 0 GDADRO COc1cc(Br)c(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1O ZINC000289643943 532329861 /nfs/dbraw/zinc/32/98/61/532329861.db2.gz MMVQFUXOJLHOAB-UHFFFAOYSA-N 1 0 398.257 1.774 20 0 GDADRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000289809119 532332667 /nfs/dbraw/zinc/33/26/67/532332667.db2.gz ZQIJKOOBAPYISY-GJZGRUSLSA-N 1 0 382.302 1.929 20 0 GDADRO CCc1nnc(C[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)s1 ZINC000290015135 532335468 /nfs/dbraw/zinc/33/54/68/532335468.db2.gz BWWJTSTYPPNQCM-UHFFFAOYSA-N 1 0 384.531 1.383 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)N3CCOCC3)C[C@H]21 ZINC000359990626 209209701 /nfs/dbraw/zinc/20/97/01/209209701.db2.gz CBQQOVKEWUZLHQ-BRWVUGGUSA-N 1 0 381.517 1.861 20 0 GDADRO O=C(COc1cccc(NC(=O)c2ccco2)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000359958554 209207223 /nfs/dbraw/zinc/20/72/23/209207223.db2.gz KKENPJZWXWIBTM-AEFFLSMTSA-N 1 0 399.447 1.890 20 0 GDADRO CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000359941058 209206159 /nfs/dbraw/zinc/20/61/59/209206159.db2.gz JNACPRDCLZYJRB-LJQANCHMSA-N 1 0 394.560 1.779 20 0 GDADRO O=C(NCCCc1nnc2n1CCCCC2)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000089819290 211184484 /nfs/dbraw/zinc/18/44/84/211184484.db2.gz MCGCPTYODWDMLD-QGZVFWFLSA-N 1 0 375.517 1.697 20 0 GDADRO CC(=O)N1CCCc2ccc(S(=O)(=O)NC[C@@H]3CCc4nccn4C3)cc21 ZINC000275218522 570688527 /nfs/dbraw/zinc/68/85/27/570688527.db2.gz BTBGQUBIEWJDTQ-HNNXBMFYSA-N 1 0 388.493 1.723 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736294995 598834298 /nfs/dbraw/zinc/83/42/98/598834298.db2.gz TYKADFOPWKFOER-WCQYABFASA-N 1 0 375.864 1.627 20 0 GDADRO O=C(C1CCCCC1)N1CCN(CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737785214 598837908 /nfs/dbraw/zinc/83/79/08/598837908.db2.gz OJNGVICYJJSYOP-UHFFFAOYSA-N 1 0 397.527 1.681 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000737525622 598853527 /nfs/dbraw/zinc/85/35/27/598853527.db2.gz VBQXJBWCCBROLT-RDTXWAMCSA-N 1 0 393.499 1.950 20 0 GDADRO CCOC(=O)CCCC[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000736591408 598858716 /nfs/dbraw/zinc/85/87/16/598858716.db2.gz DBWRDTYDXJAABH-UHFFFAOYSA-N 1 0 376.436 1.861 20 0 GDADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736479236 598872036 /nfs/dbraw/zinc/87/20/36/598872036.db2.gz FHRCCWAVRGGWOW-UHFFFAOYSA-N 1 0 382.465 1.501 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736398758 598874548 /nfs/dbraw/zinc/87/45/48/598874548.db2.gz CWPKOYWQKXQTSX-CYBMUJFWSA-N 1 0 382.465 1.549 20 0 GDADRO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392607 598887781 /nfs/dbraw/zinc/88/77/81/598887781.db2.gz FRWVXMDFCKZAHB-UXHICEINSA-N 1 0 378.480 1.839 20 0 GDADRO OC[C@@]1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCCN(Cc2ccccc2)C1 ZINC000738393943 598900118 /nfs/dbraw/zinc/90/01/18/598900118.db2.gz OHGFCWFHNWEZGA-OAQYLSRUSA-N 1 0 378.480 1.983 20 0 GDADRO C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1CCCCCC1 ZINC000735536343 598904119 /nfs/dbraw/zinc/90/41/19/598904119.db2.gz DETMITFHBFZBJM-OAHLLOKOSA-N 1 0 398.515 1.611 20 0 GDADRO CC(C)C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC000735773715 598911765 /nfs/dbraw/zinc/91/17/65/598911765.db2.gz YCQMGFHBGSXPQX-ZWKOTPCHSA-N 1 0 385.516 1.928 20 0 GDADRO COC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736889639 598946325 /nfs/dbraw/zinc/94/63/25/598946325.db2.gz VPPISOTTWNXPSR-SNVBAGLBSA-N 1 0 380.836 1.590 20 0 GDADRO COC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736888861 598946370 /nfs/dbraw/zinc/94/63/70/598946370.db2.gz PNQCSLXJTPAPRI-SNVBAGLBSA-N 1 0 392.485 1.486 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCc1ccccc1C[NH+](C)C ZINC000737298422 598950390 /nfs/dbraw/zinc/95/03/90/598950390.db2.gz OQMFAUSWDLQTNE-UHFFFAOYSA-N 1 0 386.481 1.715 20 0 GDADRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736112982 598972609 /nfs/dbraw/zinc/97/26/09/598972609.db2.gz LMKPLXBCCKHYEW-PBHICJAKSA-N 1 0 398.515 1.395 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000737033174 598984955 /nfs/dbraw/zinc/98/49/55/598984955.db2.gz RKZBBEDPMCAALD-AWEZNQCLSA-N 1 0 399.455 1.900 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)C[C@H]1C ZINC000736565026 599008115 /nfs/dbraw/zinc/00/81/15/599008115.db2.gz FXRGBLPTTRCJGR-HIFRSBDPSA-N 1 0 378.502 1.668 20 0 GDADRO C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[NH+](CC2CC2)CC2CC2)C1=O ZINC000736223450 599036191 /nfs/dbraw/zinc/03/61/91/599036191.db2.gz NKKBUGVJUMPANO-FQEVSTJZSA-N 1 0 395.467 1.713 20 0 GDADRO O[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1c(F)cccc1Cl ZINC000738382008 599053251 /nfs/dbraw/zinc/05/32/51/599053251.db2.gz OSJVKRMBCYMISU-NOZJJQNGSA-N 1 0 392.826 1.221 20 0 GDADRO COc1cccc(CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1OC ZINC000737132085 599093985 /nfs/dbraw/zinc/09/39/85/599093985.db2.gz VBLYEEBGURTNTE-MRXNPFEDSA-N 1 0 382.424 1.243 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)C2 ZINC000738427553 599103516 /nfs/dbraw/zinc/10/35/16/599103516.db2.gz XEKWKWJNUCKCSH-RDTXWAMCSA-N 1 0 394.483 1.862 20 0 GDADRO CCC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736479990 599130117 /nfs/dbraw/zinc/13/01/17/599130117.db2.gz OSZATZTVVUQBRT-UHFFFAOYSA-N 1 0 397.483 1.943 20 0 GDADRO C[C@H]1C[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000736230336 599135427 /nfs/dbraw/zinc/13/54/27/599135427.db2.gz SKNHBIHFLKKIEN-WCQYABFASA-N 1 0 377.880 1.873 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C1(c3ccc4c(c3)OCO4)CC1)C2 ZINC000823766559 607260782 /nfs/dbraw/zinc/26/07/82/607260782.db2.gz FFLPVEPCDXKJRE-NSHDSACASA-N 1 0 380.412 1.113 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)cccc1-c1nn[nH]n1 ZINC000822052345 607272239 /nfs/dbraw/zinc/27/22/39/607272239.db2.gz BZKFWSSZUGOAIU-CQSZACIVSA-N 1 0 399.480 1.594 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cccc1-c1nn[nH]n1 ZINC000822053015 607272243 /nfs/dbraw/zinc/27/22/43/607272243.db2.gz JETYKQVBFUOGEE-OLZOCXBDSA-N 1 0 385.472 1.493 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822053954 607272412 /nfs/dbraw/zinc/27/24/12/607272412.db2.gz TVCUYJXLOXZZEO-CHWSQXEVSA-N 1 0 385.472 1.350 20 0 GDADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC000821180752 607273549 /nfs/dbraw/zinc/27/35/49/607273549.db2.gz GYDKIAOHEQVVHF-UHFFFAOYSA-N 1 0 399.499 1.694 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821181800 607319533 /nfs/dbraw/zinc/31/95/33/607319533.db2.gz PKVPPLMWYAYXGY-CQSZACIVSA-N 1 0 387.488 1.822 20 0 GDADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000736291589 599288657 /nfs/dbraw/zinc/28/86/57/599288657.db2.gz GBDDEWXNDCQXFP-CJNGLKHVSA-N 1 0 380.456 1.975 20 0 GDADRO CC(C)N1C(=O)N[C@]2(CC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)C1=O ZINC000735873912 599290979 /nfs/dbraw/zinc/29/09/79/599290979.db2.gz BRKAWDGFBHKDPQ-IBGZPJMESA-N 1 0 394.439 1.024 20 0 GDADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821588340 607333256 /nfs/dbraw/zinc/33/32/56/607333256.db2.gz NHNXGCHYMKTPLH-UHFFFAOYSA-N 1 0 397.414 1.322 20 0 GDADRO C[C@@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736116165 598263011 /nfs/dbraw/zinc/26/30/11/598263011.db2.gz DHXCXELBSVPQSA-OAHLLOKOSA-N 1 0 399.499 1.872 20 0 GDADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)n2ncc(-c3nn[nH]n3)c2N)c1 ZINC000736827944 598286605 /nfs/dbraw/zinc/28/66/05/598286605.db2.gz JUHCNACPHQRNBC-UHFFFAOYSA-N 1 0 388.435 1.966 20 0 GDADRO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000735685096 598299953 /nfs/dbraw/zinc/29/99/53/598299953.db2.gz NXKKGWLGPUBMJX-CABCVRRESA-N 1 0 399.499 1.678 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000738100570 598307945 /nfs/dbraw/zinc/30/79/45/598307945.db2.gz RJMONDCCHKDELU-KRWDZBQOSA-N 1 0 395.442 1.929 20 0 GDADRO C[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[NH+]1CCC(C)CC1 ZINC000736278668 598325024 /nfs/dbraw/zinc/32/50/24/598325024.db2.gz SYLXCPSWHBBVJB-ZDUSSCGKSA-N 1 0 375.452 1.925 20 0 GDADRO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)ncn1 ZINC000736886320 598340261 /nfs/dbraw/zinc/34/02/61/598340261.db2.gz HOZDSRXLRRFOHH-CQSZACIVSA-N 1 0 383.435 1.596 20 0 GDADRO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000736409818 598344891 /nfs/dbraw/zinc/34/48/91/598344891.db2.gz NJQPKSPCHJORDJ-HUUCEWRRSA-N 1 0 387.488 1.236 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736131470 598348229 /nfs/dbraw/zinc/34/82/29/598348229.db2.gz KPVYMKYIWALGQP-GXSJLCMTSA-N 1 0 387.835 1.043 20 0 GDADRO c1cc(Nc2nccnc2-c2nn[nH]n2)cc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000738419941 598348964 /nfs/dbraw/zinc/34/89/64/598348964.db2.gz TVWJMQAJYIQWRZ-UHFFFAOYSA-N 1 0 377.456 1.932 20 0 GDADRO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737473215 598350628 /nfs/dbraw/zinc/35/06/28/598350628.db2.gz ASBPYYOOUSHQNT-MRXNPFEDSA-N 1 0 382.472 1.866 20 0 GDADRO CC[N@H+](CCNC(=O)N(CCOC)Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000736536107 598361844 /nfs/dbraw/zinc/36/18/44/598361844.db2.gz CJGVCWYEOASLDF-UHFFFAOYSA-N 1 0 389.504 1.755 20 0 GDADRO O=C(CC[N@@H+]1CCCN(c2cccnn2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842478 598365487 /nfs/dbraw/zinc/36/54/87/598365487.db2.gz CERRXUNPRMSFNV-UHFFFAOYSA-N 1 0 393.455 1.198 20 0 GDADRO CC[C@H]1C[N@H+](CCn2cccn2)CCN1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736408810 598367448 /nfs/dbraw/zinc/36/74/48/598367448.db2.gz VIVRVUZFWNYXLJ-SFHVURJKSA-N 1 0 396.499 1.538 20 0 GDADRO Cc1nc(CN2CCC[C@@H]([N@H+](C)CCOc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737477130 598367592 /nfs/dbraw/zinc/36/75/92/598367592.db2.gz KDZYNVAEUOWTQJ-MRXNPFEDSA-N 1 0 398.471 1.533 20 0 GDADRO COC(=O)[C@H](C)C[N@H+](Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1)C1CC1 ZINC000736893576 598368025 /nfs/dbraw/zinc/36/80/25/598368025.db2.gz RCEXYRZTBBCMMC-CYBMUJFWSA-N 1 0 381.440 1.961 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736266043 598402601 /nfs/dbraw/zinc/40/26/01/598402601.db2.gz FBRQYPWLAVWJPL-HNNXBMFYSA-N 1 0 399.499 1.367 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736859694 598428461 /nfs/dbraw/zinc/42/84/61/598428461.db2.gz HGPQJHPGPYNGOL-KRWDZBQOSA-N 1 0 384.488 1.501 20 0 GDADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736530865 598459071 /nfs/dbraw/zinc/45/90/71/598459071.db2.gz NSQQPRCMXHXBMW-UHFFFAOYSA-N 1 0 395.467 1.912 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000736868551 598505377 /nfs/dbraw/zinc/50/53/77/598505377.db2.gz SUEYMDAHFBIYGS-UHFFFAOYSA-N 1 0 392.467 1.286 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@H]([NH2+]C(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000737547740 598506057 /nfs/dbraw/zinc/50/60/57/598506057.db2.gz KBQJFQOCUUDXRO-JSGCOSHPSA-N 1 0 375.477 1.866 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@H](c1ccccc1)N1CCCC1)C2 ZINC000738426627 598517766 /nfs/dbraw/zinc/51/77/66/598517766.db2.gz SUJAQFVBHOXYCD-CRAIPNDOSA-N 1 0 393.499 1.532 20 0 GDADRO FC(F)Oc1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737638609 598518674 /nfs/dbraw/zinc/51/86/74/598518674.db2.gz GQWPTZQGKNFSSD-LBPRGKRZSA-N 1 0 390.398 1.539 20 0 GDADRO FC(F)(F)Oc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737626855 598520653 /nfs/dbraw/zinc/52/06/53/598520653.db2.gz MXLABSNHWAPNDH-NSHDSACASA-N 1 0 394.361 1.793 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCOc1ccc3ccccc3c1)C2 ZINC000738442462 598520671 /nfs/dbraw/zinc/52/06/71/598520671.db2.gz OLXHJLOTZDRTQO-AWEZNQCLSA-N 1 0 390.451 1.927 20 0 GDADRO CC(C)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCC(C)CC1 ZINC000736277869 598521102 /nfs/dbraw/zinc/52/11/02/598521102.db2.gz NLNDIFWSKUQOJL-DOTOQJQBSA-N 1 0 387.536 1.451 20 0 GDADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737040778 598522002 /nfs/dbraw/zinc/52/20/02/598522002.db2.gz QGPKRMFRSRZVTQ-CHWSQXEVSA-N 1 0 398.471 1.781 20 0 GDADRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cn1 ZINC000736531714 598524591 /nfs/dbraw/zinc/52/45/91/598524591.db2.gz IKWFBXOJANUTFP-CQSZACIVSA-N 1 0 382.476 1.136 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000736747571 598580261 /nfs/dbraw/zinc/58/02/61/598580261.db2.gz RNONBOHYXWUKRZ-UHFFFAOYSA-N 1 0 378.868 1.270 20 0 GDADRO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738076562 598605231 /nfs/dbraw/zinc/60/52/31/598605231.db2.gz SWYYZVDKNFBKFK-SFHVURJKSA-N 1 0 383.500 1.828 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC[C@H]([NH+](C)C)C1 ZINC000735550963 598619263 /nfs/dbraw/zinc/61/92/63/598619263.db2.gz NZBLRNPPXJPTRM-AAEUAGOBSA-N 1 0 377.880 1.873 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736268013 598636393 /nfs/dbraw/zinc/63/63/93/598636393.db2.gz WCTFCHBXEWZGKB-NEPJUHHUSA-N 1 0 389.435 1.181 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000736278297 598639940 /nfs/dbraw/zinc/63/99/40/598639940.db2.gz RFFQTTXETGBPSD-LBPRGKRZSA-N 1 0 389.435 1.181 20 0 GDADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736481839 598691275 /nfs/dbraw/zinc/69/12/75/598691275.db2.gz ZTOHMOICMATMFK-UHFFFAOYSA-N 1 0 382.465 1.501 20 0 GDADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)CCN1C(=O)c2ccccc2C1=O ZINC000736802946 598705434 /nfs/dbraw/zinc/70/54/34/598705434.db2.gz ZDYYHGHNKPLVOI-UHFFFAOYSA-N 1 0 392.419 1.474 20 0 GDADRO COc1ccc(OC)c(C[N@H+](CCO)CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737109798 598706102 /nfs/dbraw/zinc/70/61/02/598706102.db2.gz NAXKZAVNGXTRLR-UHFFFAOYSA-N 1 0 399.451 1.757 20 0 GDADRO CCc1cccc2c(CC[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c[nH]c21 ZINC000736695883 598713898 /nfs/dbraw/zinc/71/38/98/598713898.db2.gz RTWBXYNHMIRJQU-CYBMUJFWSA-N 1 0 391.483 1.981 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736113442 598725452 /nfs/dbraw/zinc/72/54/52/598725452.db2.gz NXLQCNUHSKRZFH-RRQGHBQHSA-N 1 0 385.472 1.168 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000735559920 598726789 /nfs/dbraw/zinc/72/67/89/598726789.db2.gz AULBMZOKTZFOJH-CABCVRRESA-N 1 0 397.483 1.528 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736863294 598730592 /nfs/dbraw/zinc/73/05/92/598730592.db2.gz IWVLSUQTVXGPNF-UHFFFAOYSA-N 1 0 376.440 1.155 20 0 GDADRO CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736852900 598743032 /nfs/dbraw/zinc/74/30/32/598743032.db2.gz SDYBEOZEEIRHCU-JTHGQSKGSA-N 1 0 395.511 1.507 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000738387176 598763020 /nfs/dbraw/zinc/76/30/20/598763020.db2.gz NSEZPVTZVYQLRH-NVXWUHKLSA-N 1 0 395.467 1.435 20 0 GDADRO COC[C@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736973060 598777313 /nfs/dbraw/zinc/77/73/13/598777313.db2.gz ZPAWYKXPGUYWFG-OAHLLOKOSA-N 1 0 387.488 1.367 20 0 GDADRO COc1ccc(O)c(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737104972 598805363 /nfs/dbraw/zinc/80/53/63/598805363.db2.gz BPRYBQAKFKZUND-UHFFFAOYSA-N 1 0 396.451 1.785 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736405531 599293468 /nfs/dbraw/zinc/29/34/68/599293468.db2.gz GLHVNZLUUPZDPA-STQMWFEESA-N 1 0 380.449 1.253 20 0 GDADRO Cc1nc(SCC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737484040 599299355 /nfs/dbraw/zinc/29/93/55/599299355.db2.gz RNIASCPTNRZJAF-HZMBPMFUSA-N 1 0 389.529 1.688 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821159977 599330272 /nfs/dbraw/zinc/33/02/72/599330272.db2.gz FJAANLLOZRBKJY-HNNXBMFYSA-N 1 0 381.488 1.665 20 0 GDADRO O=C1CN(C[N@@H+]2CCC3(CCCC3)C2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000823535727 599330541 /nfs/dbraw/zinc/33/05/41/599330541.db2.gz FYEQBUJRTAIGLA-UHFFFAOYSA-N 1 0 395.467 1.855 20 0 GDADRO CC(C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Nc1ccccc1 ZINC000735706694 599332265 /nfs/dbraw/zinc/33/22/65/599332265.db2.gz CNLJPOBTKXDSRT-RHSMWYFYSA-N 1 0 381.488 1.831 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431765 599368554 /nfs/dbraw/zinc/36/85/54/599368554.db2.gz HPZMXQQXWANZNS-ZDUSSCGKSA-N 1 0 386.481 1.968 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000821000660 599368887 /nfs/dbraw/zinc/36/88/87/599368887.db2.gz HQVMRWSTXNHOEN-CABCVRRESA-N 1 0 376.486 1.422 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821614808 599370626 /nfs/dbraw/zinc/37/06/26/599370626.db2.gz VSIJPRJHCQPCBV-KRWDZBQOSA-N 1 0 398.492 1.762 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821189392 599372496 /nfs/dbraw/zinc/37/24/96/599372496.db2.gz LHJRTWGVNSPSHF-OAHLLOKOSA-N 1 0 378.502 1.360 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000737059908 599374139 /nfs/dbraw/zinc/37/41/39/599374139.db2.gz YMCHZMJNQFWEAQ-UHFFFAOYSA-N 1 0 386.456 1.849 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000737799128 599391230 /nfs/dbraw/zinc/39/12/30/599391230.db2.gz JMXUCLTXTPABIL-IYKSTZQJSA-N 1 0 382.468 1.497 20 0 GDADRO C[C@@H](CNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000820704626 599409286 /nfs/dbraw/zinc/40/92/86/599409286.db2.gz PDTHZFJZBDKVPX-GJZGRUSLSA-N 1 0 387.488 1.808 20 0 GDADRO COc1ccc(C[NH2+]CCCS(=O)(=O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821813798 599417574 /nfs/dbraw/zinc/41/75/74/599417574.db2.gz NCNQCVAWRLSJRM-UHFFFAOYSA-N 1 0 387.465 1.829 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)cc1-c1nn[nH]n1 ZINC000821808386 599437762 /nfs/dbraw/zinc/43/77/62/599437762.db2.gz FXSGSHAQTCPHJP-HNNXBMFYSA-N 1 0 382.399 1.910 20 0 GDADRO C[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820357894 599440960 /nfs/dbraw/zinc/44/09/60/599440960.db2.gz KEHWMTBOONAOKL-CABCVRRESA-N 1 0 399.499 1.728 20 0 GDADRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821854512 599450007 /nfs/dbraw/zinc/45/00/07/599450007.db2.gz LFKNTFCDCKSPEY-NHYWBVRUSA-N 1 0 382.428 1.227 20 0 GDADRO O=C(C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Nc1ccc(F)c(F)c1 ZINC000737894569 599483532 /nfs/dbraw/zinc/48/35/32/599483532.db2.gz GXYBGQDODQSRHZ-UHFFFAOYSA-N 1 0 384.350 1.521 20 0 GDADRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000737053006 599490856 /nfs/dbraw/zinc/49/08/56/599490856.db2.gz XQFCLDHZUJIWRO-QGZVFWFLSA-N 1 0 395.423 1.355 20 0 GDADRO O=C(C1CCC1)N(CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)C1CC1 ZINC000737787280 599491000 /nfs/dbraw/zinc/49/10/00/599491000.db2.gz XMEGUOQERDZFHL-UHFFFAOYSA-N 1 0 394.483 1.785 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1 ZINC000820981670 599554475 /nfs/dbraw/zinc/55/44/75/599554475.db2.gz VNUBBBPZYFLECB-GFCCVEGCSA-N 1 0 379.490 1.191 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000826251926 607384665 /nfs/dbraw/zinc/38/46/65/607384665.db2.gz GWUSJVUMLXHNJD-UHFFFAOYSA-N 1 0 384.440 1.075 20 0 GDADRO COCC[N@H+](CCO)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000736994027 599586460 /nfs/dbraw/zinc/58/64/60/599586460.db2.gz AERKWHOWIMJFOE-UHFFFAOYSA-N 1 0 394.501 1.076 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1-c1nn[nH]n1 ZINC000822312987 599614524 /nfs/dbraw/zinc/61/45/24/599614524.db2.gz KPQHXOCCYZETKC-AGUYFDCRSA-N 1 0 383.456 1.245 20 0 GDADRO CCC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000821094662 599635686 /nfs/dbraw/zinc/63/56/86/599635686.db2.gz NOUHAECYIFECFQ-HNNXBMFYSA-N 1 0 392.485 1.094 20 0 GDADRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821170667 599638376 /nfs/dbraw/zinc/63/83/76/599638376.db2.gz VFYUVMKARVRFSD-MRXNPFEDSA-N 1 0 385.472 1.528 20 0 GDADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000820971958 599646269 /nfs/dbraw/zinc/64/62/69/599646269.db2.gz IPJRUTNADLFRBK-PEELUZDISA-N 1 0 383.456 1.712 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)CC[N@@H+]1C ZINC000820657460 599676292 /nfs/dbraw/zinc/67/62/92/599676292.db2.gz LIYSEMABIQFLAN-GDBMZVCRSA-N 1 0 399.499 1.902 20 0 GDADRO CO[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000821677039 599682423 /nfs/dbraw/zinc/68/24/23/599682423.db2.gz NBZONEXSUTYVAW-KRWDZBQOSA-N 1 0 389.504 1.611 20 0 GDADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000823254266 599693078 /nfs/dbraw/zinc/69/30/78/599693078.db2.gz RMZBXWPDBGWQIL-HXUWFJFHSA-N 1 0 378.436 1.120 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737116496 599731550 /nfs/dbraw/zinc/73/15/50/599731550.db2.gz VDIVBNCDQUFHAR-CYBMUJFWSA-N 1 0 389.543 1.483 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000737116451 599731823 /nfs/dbraw/zinc/73/18/23/599731823.db2.gz URSGAHQSKOXFQL-INIZCTEOSA-N 1 0 397.541 1.730 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000822266607 607390766 /nfs/dbraw/zinc/39/07/66/607390766.db2.gz FDEFWXIQVYVANH-UHFFFAOYSA-N 1 0 378.483 1.305 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)C1 ZINC000821690682 607426790 /nfs/dbraw/zinc/42/67/90/607426790.db2.gz VOZOUDDLSSOSFI-AWEZNQCLSA-N 1 0 389.460 1.496 20 0 GDADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824777588 607429958 /nfs/dbraw/zinc/42/99/58/607429958.db2.gz KHNPXYPUIYCYHU-ZDUSSCGKSA-N 1 0 378.440 1.612 20 0 GDADRO CCC[C@](C)([NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C(=O)[O-] ZINC000736964411 600322338 /nfs/dbraw/zinc/32/23/38/600322338.db2.gz NVMSNUSBRJEARG-FQEVSTJZSA-N 1 0 376.501 2.000 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C[C@H](C)O1 ZINC000824985328 607448218 /nfs/dbraw/zinc/44/82/18/607448218.db2.gz VKEQFBGCGCZORQ-GJZGRUSLSA-N 1 0 399.499 1.654 20 0 GDADRO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000819899159 607450666 /nfs/dbraw/zinc/45/06/66/607450666.db2.gz OJBHFMXFCJFKSM-CQSZACIVSA-N 1 0 399.499 1.822 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C[C@H]1C ZINC000821253570 607453938 /nfs/dbraw/zinc/45/39/38/607453938.db2.gz HJOMEMKPWGKXJW-BXUZGUMPSA-N 1 0 375.477 1.820 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CC1 ZINC000824296507 607472633 /nfs/dbraw/zinc/47/26/33/607472633.db2.gz IFYBYURHBKGBQL-UHFFFAOYSA-N 1 0 387.507 1.996 20 0 GDADRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000821937384 607480765 /nfs/dbraw/zinc/48/07/65/607480765.db2.gz MEZFRKOPKWHBGV-UHFFFAOYSA-N 1 0 391.428 1.578 20 0 GDADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000822890102 607481030 /nfs/dbraw/zinc/48/10/30/607481030.db2.gz MATRWKNGLFUJOR-AWEZNQCLSA-N 1 0 381.415 1.473 20 0 GDADRO COc1ccc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1-c1nn[nH]n1 ZINC000826192335 607496539 /nfs/dbraw/zinc/49/65/39/607496539.db2.gz JQKRDKDNOWBHOC-OAHLLOKOSA-N 1 0 380.456 1.766 20 0 GDADRO CCn1cc(CN2CCC[N@H+](Cc3ccc(OC)c(-c4nn[nH]n4)c3)CC2)cn1 ZINC000825799893 607497120 /nfs/dbraw/zinc/49/71/20/607497120.db2.gz VYPHOOYZKNJBKP-UHFFFAOYSA-N 1 0 396.499 1.800 20 0 GDADRO O=C(COc1ccccc1-c1nn[nH]n1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823050089 607503172 /nfs/dbraw/zinc/50/31/72/607503172.db2.gz PYNNVUKZWJIAPC-PBHICJAKSA-N 1 0 382.468 1.721 20 0 GDADRO O=C1NCCCN1C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826482692 607526164 /nfs/dbraw/zinc/52/61/64/607526164.db2.gz NXNAGUJGXVSITR-UHFFFAOYSA-N 1 0 385.472 1.515 20 0 GDADRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825901876 607526599 /nfs/dbraw/zinc/52/65/99/607526599.db2.gz LFRPDRQBXFLXSW-YOEHRIQHSA-N 1 0 383.456 1.349 20 0 GDADRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826364350 607529526 /nfs/dbraw/zinc/52/95/26/607529526.db2.gz SUEFEDMQUMSFJH-SFHVURJKSA-N 1 0 397.483 1.815 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000826334603 607538245 /nfs/dbraw/zinc/53/82/45/607538245.db2.gz BGGOKXYPTNAJNV-SJORKVTESA-N 1 0 380.456 1.750 20 0 GDADRO COc1cccc(C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000826214807 607540147 /nfs/dbraw/zinc/54/01/47/607540147.db2.gz XPJMLFPFQGTTMY-ZDUSSCGKSA-N 1 0 382.472 1.681 20 0 GDADRO CN(C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1)C(=O)[O-] ZINC000739660470 602528525 /nfs/dbraw/zinc/52/85/25/602528525.db2.gz IJNUEYDZDCQTAS-LJQANCHMSA-N 1 0 388.512 1.830 20 0 GDADRO COc1ccc(CNC(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000826198129 607574656 /nfs/dbraw/zinc/57/46/56/607574656.db2.gz NBFIELDYNZOISM-ZFWWWQNUSA-N 1 0 385.472 1.644 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000824947732 607588555 /nfs/dbraw/zinc/58/85/55/607588555.db2.gz QFCXCTFPDVYFME-NEPJUHHUSA-N 1 0 382.465 1.405 20 0 GDADRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000824957858 607588727 /nfs/dbraw/zinc/58/87/27/607588727.db2.gz ZZXDADNXANTCSS-UHFFFAOYSA-N 1 0 396.492 1.796 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000824875138 607590210 /nfs/dbraw/zinc/59/02/10/607590210.db2.gz IOURNQMDFARBFN-BETUJISGSA-N 1 0 396.492 1.652 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000825121033 607665791 /nfs/dbraw/zinc/66/57/91/607665791.db2.gz OWLZURJFQSOHOL-NSHDSACASA-N 1 0 384.893 1.673 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000529325891 649940392 /nfs/dbraw/zinc/94/03/92/649940392.db2.gz VQCTUEBURLNRQE-UONOGXRCSA-N 1 0 383.290 1.315 20 0 GDADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000824893216 607667921 /nfs/dbraw/zinc/66/79/21/607667921.db2.gz PQQMUWVDAFDJLH-GXSJLCMTSA-N 1 0 382.877 1.424 20 0 GDADRO Cc1cc(CNC(=O)NC[C@@H]2COCC[NH2+]2)ccc1I ZINC000529327716 649940608 /nfs/dbraw/zinc/94/06/08/649940608.db2.gz DOQLZZMMTWTKLR-GFCCVEGCSA-N 1 0 389.237 1.387 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC000826301828 607674345 /nfs/dbraw/zinc/67/43/45/607674345.db2.gz QQAOTHOQAHKYRJ-ZIAGYGMSSA-N 1 0 376.486 1.280 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2cc(F)c(Br)cc2F)CCO1 ZINC000529368567 649941789 /nfs/dbraw/zinc/94/17/89/649941789.db2.gz DOBWLQSBBDTDHJ-SDBXPKJASA-N 1 0 378.217 1.985 20 0 GDADRO COc1cc(OC)cc([C@H](C(=O)[O-])[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000832040334 604464588 /nfs/dbraw/zinc/46/45/88/604464588.db2.gz DAZARJWTDFOGOY-GOSISDBHSA-N 1 0 393.484 1.219 20 0 GDADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000529459465 649945891 /nfs/dbraw/zinc/94/58/91/649945891.db2.gz RBJDWORARLORHE-GFCCVEGCSA-N 1 0 391.896 1.700 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000824045130 607748566 /nfs/dbraw/zinc/74/85/66/607748566.db2.gz GZAOZQPIYUTDIX-UONOGXRCSA-N 1 0 381.444 1.197 20 0 GDADRO C[C@H](O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824697253 607756726 /nfs/dbraw/zinc/75/67/26/607756726.db2.gz AVHFUWJOCNJOGK-SDDRHHMPSA-N 1 0 390.513 1.979 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000824697251 607756811 /nfs/dbraw/zinc/75/68/11/607756811.db2.gz AVHFUWJOCNJOGK-QJPTWQEYSA-N 1 0 390.513 1.979 20 0 GDADRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820650866 606068741 /nfs/dbraw/zinc/06/87/41/606068741.db2.gz YASRWXRMEQMZCK-AKCHCHLHSA-N 1 0 389.500 1.773 20 0 GDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000820722465 606110303 /nfs/dbraw/zinc/11/03/03/606110303.db2.gz IWSKAIHIEHBFAE-OAHLLOKOSA-N 1 0 377.452 1.998 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000820683761 606112396 /nfs/dbraw/zinc/11/23/96/606112396.db2.gz HAGDIFPNTIMHOT-HUUCEWRRSA-N 1 0 383.500 1.825 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821255241 606123626 /nfs/dbraw/zinc/12/36/26/606123626.db2.gz WXVPPSFMLBKSON-LBPRGKRZSA-N 1 0 391.863 1.401 20 0 GDADRO COc1ccc(OCC[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821841714 606131251 /nfs/dbraw/zinc/13/12/51/606131251.db2.gz MNFJRTMUALNETA-OAHLLOKOSA-N 1 0 385.424 1.284 20 0 GDADRO Fc1ccc(N2CCN(CC[NH2+]Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000822778113 606210433 /nfs/dbraw/zinc/21/04/33/606210433.db2.gz DGAWLDFQEIEYOG-UHFFFAOYSA-N 1 0 387.488 1.979 20 0 GDADRO O=C(CC[NH2+]Cc1cc(-c2nn[nH]n2)cs1)N1CCN(c2ccccc2)CC1 ZINC000822969010 606216500 /nfs/dbraw/zinc/21/65/00/606216500.db2.gz GIFSAIWGBQJEEJ-UHFFFAOYSA-N 1 0 397.508 1.757 20 0 GDADRO COc1ccccc1C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C(C)C ZINC000821890725 606225324 /nfs/dbraw/zinc/22/53/24/606225324.db2.gz OXJAZPUWZJWGSE-RHSMWYFYSA-N 1 0 396.499 1.970 20 0 GDADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823187224 606259415 /nfs/dbraw/zinc/25/94/15/606259415.db2.gz GVYLPCXKQNQLSY-UHFFFAOYSA-N 1 0 394.483 1.527 20 0 GDADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823363933 606263341 /nfs/dbraw/zinc/26/33/41/606263341.db2.gz REWGAPKUKNXQBW-UHFFFAOYSA-N 1 0 392.467 1.979 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2nn[nH]n2)cn1C)Cc1ccccc1 ZINC000821180250 606278339 /nfs/dbraw/zinc/27/83/39/606278339.db2.gz ASHUBNCLCWRSIH-KRWDZBQOSA-N 1 0 381.484 1.888 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000822636478 606280880 /nfs/dbraw/zinc/28/08/80/606280880.db2.gz FXBNUHMSCITMII-UHFFFAOYSA-N 1 0 387.488 1.218 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000822638206 606283489 /nfs/dbraw/zinc/28/34/89/606283489.db2.gz ZSQLWNIAVCHQAQ-UHFFFAOYSA-N 1 0 379.468 1.847 20 0 GDADRO C[C@@H]1C[N@@H+](CCCCNC(=O)COc2ccccc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820760757 606296008 /nfs/dbraw/zinc/29/60/08/606296008.db2.gz STYTVSYPWFOKSI-GASCZTMLSA-N 1 0 388.472 1.251 20 0 GDADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000823171452 606349393 /nfs/dbraw/zinc/34/93/93/606349393.db2.gz VQJLYHIRXFYOFK-UHFFFAOYSA-N 1 0 389.435 1.772 20 0 GDADRO C[N@H+](CCCNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000821600256 606386686 /nfs/dbraw/zinc/38/66/86/606386686.db2.gz FEBSDIKNAKYKFW-UHFFFAOYSA-N 1 0 386.481 1.667 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)C1CCCCC1 ZINC000821602774 606401259 /nfs/dbraw/zinc/40/12/59/606401259.db2.gz UIWIVKIRHBJMMG-UHFFFAOYSA-N 1 0 389.435 1.325 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821637619 606412875 /nfs/dbraw/zinc/41/28/75/606412875.db2.gz NDWCYHJULFNSIK-JTQLQIEISA-N 1 0 378.483 1.687 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000821688304 606452278 /nfs/dbraw/zinc/45/22/78/606452278.db2.gz GHKQUPQQCXRJQT-GFCCVEGCSA-N 1 0 375.477 1.744 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@H]1SCCc3ccccc31)C2 ZINC000823797860 606483637 /nfs/dbraw/zinc/48/36/37/606483637.db2.gz UFBCQAHZGQLGIQ-MLGOLLRUSA-N 1 0 382.497 1.725 20 0 GDADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(-c2nn[nH]n2)cs1 ZINC000823170703 606573840 /nfs/dbraw/zinc/57/38/40/606573840.db2.gz GTNIQADJJOIMNI-SFHVURJKSA-N 1 0 384.465 1.295 20 0 GDADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000820759933 606583851 /nfs/dbraw/zinc/58/38/51/606583851.db2.gz OCGOQDXAPGSVAG-WMLDXEAASA-N 1 0 377.452 1.902 20 0 GDADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000823092932 606597837 /nfs/dbraw/zinc/59/78/37/606597837.db2.gz PDCSMUMDNKFNOO-UHFFFAOYSA-N 1 0 377.452 1.585 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000821581018 606603853 /nfs/dbraw/zinc/60/38/53/606603853.db2.gz AXJWDYFXRQRVGC-CVEARBPZSA-N 1 0 398.515 1.571 20 0 GDADRO COC(=O)CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000821660667 606612408 /nfs/dbraw/zinc/61/24/08/606612408.db2.gz ZHLCEGJUAIJENZ-ZDUSSCGKSA-N 1 0 386.456 1.859 20 0 GDADRO COC(=O)CCC1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000821660371 606612513 /nfs/dbraw/zinc/61/25/13/606612513.db2.gz OLUXKLBEPAHRGN-UHFFFAOYSA-N 1 0 389.456 1.919 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821351254 606621721 /nfs/dbraw/zinc/62/17/21/606621721.db2.gz OAHBXOYIXLSCMW-BBRMVZONSA-N 1 0 376.461 1.107 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)C[C@H]1C ZINC000821253500 606637278 /nfs/dbraw/zinc/63/72/78/606637278.db2.gz FULIEAZYWITPDT-UKRRQHHQSA-N 1 0 385.472 1.445 20 0 GDADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823155248 606696683 /nfs/dbraw/zinc/69/66/83/606696683.db2.gz QAUWDEQOYQRMLQ-UHFFFAOYSA-N 1 0 399.405 1.934 20 0 GDADRO CC[N@H+](C[C@H](O)COC1CCOCC1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821170265 606703675 /nfs/dbraw/zinc/70/36/75/606703675.db2.gz OTCWMSJIDGFYPL-YOEHRIQHSA-N 1 0 375.473 1.806 20 0 GDADRO CC1(C2CC[NH+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC2)OCCO1 ZINC000820612858 606720175 /nfs/dbraw/zinc/72/01/75/606720175.db2.gz LQACWIFPRVVZDK-QGZVFWFLSA-N 1 0 398.467 1.447 20 0 GDADRO CC1(C)C[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2O1 ZINC000820590709 606741548 /nfs/dbraw/zinc/74/15/48/606741548.db2.gz YVUPFJPVJRDFHR-SWLSCSKDSA-N 1 0 380.456 1.997 20 0 GDADRO 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TVNGBXWXESHONF-JEBQAFNWSA-N 1 0 381.484 1.434 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000821702446 606914704 /nfs/dbraw/zinc/91/47/04/606914704.db2.gz TWMCCUHMGCGBEC-OAHLLOKOSA-N 1 0 382.424 1.802 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000823690902 606916195 /nfs/dbraw/zinc/91/61/95/606916195.db2.gz XNXHSENZNAETCK-WBVHZDCISA-N 1 0 382.424 1.155 20 0 GDADRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000821357757 606917319 /nfs/dbraw/zinc/91/73/19/606917319.db2.gz FLTUGNHFOUVEFL-DLBZAZTESA-N 1 0 384.484 1.762 20 0 GDADRO COc1cc(OC)cc(OCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000821728303 606923300 /nfs/dbraw/zinc/92/33/00/606923300.db2.gz TVBFRLSVSXRAKP-UHFFFAOYSA-N 1 0 395.423 1.700 20 0 GDADRO CCOCC[N@@H+]1CCN(c2nnc(CC)c(CC)c2-c2nn[nH]n2)C[C@@H]1CC ZINC000821378370 606932452 /nfs/dbraw/zinc/93/24/52/606932452.db2.gz MIGKMCLICBKGJW-AWEZNQCLSA-N 1 0 388.520 1.719 20 0 GDADRO 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ZINC000823683304 607064492 /nfs/dbraw/zinc/06/44/92/607064492.db2.gz ZNAJKJXJJYIHOA-IBGZPJMESA-N 1 0 382.443 1.857 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)CC[C@@H]21 ZINC000821625110 607072783 /nfs/dbraw/zinc/07/27/83/607072783.db2.gz GCVPYHBOLSMMFH-CVEARBPZSA-N 1 0 380.456 1.833 20 0 GDADRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822496474 607092277 /nfs/dbraw/zinc/09/22/77/607092277.db2.gz NUYIBIPIKCQIBS-MAUKXSAKSA-N 1 0 383.456 1.485 20 0 GDADRO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)C(C)(C)C[NH+](C)C ZINC000820316127 607093522 /nfs/dbraw/zinc/09/35/22/607093522.db2.gz SQJWXDJLVYIHPD-JTQLQIEISA-N 1 0 377.424 1.037 20 0 GDADRO O[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000823706834 607152139 /nfs/dbraw/zinc/15/21/39/607152139.db2.gz PSECAHIOOLBMAF-MSOLQXFVSA-N 1 0 396.499 1.372 20 0 GDADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1N1CCOCC1 ZINC000820995819 607177362 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NJXVGFGWPPVEEP-NHYWBVRUSA-N 1 0 396.904 1.625 20 0 GDADRO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000822895165 607236598 /nfs/dbraw/zinc/23/65/98/607236598.db2.gz MJSQFGALEDWCML-HNNXBMFYSA-N 1 0 384.465 1.397 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000825854899 607777202 /nfs/dbraw/zinc/77/72/02/607777202.db2.gz DRHUOTCYGRXRHG-IBGZPJMESA-N 1 0 397.439 1.096 20 0 GDADRO C[C@H]1C[C@H](N(C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000824885394 607828661 /nfs/dbraw/zinc/82/86/61/607828661.db2.gz SNXIYPWCBSVMFX-DZGCQCFKSA-N 1 0 378.502 1.055 20 0 GDADRO O[C@]1(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCOC1 ZINC000826505690 607854799 /nfs/dbraw/zinc/85/47/99/607854799.db2.gz CHVLLDOPPGBFEA-FQEVSTJZSA-N 1 0 381.436 1.687 20 0 GDADRO O=C1[C@@H]([N@@H+]2CC[C@@H](C3CCOCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000826477210 607859251 /nfs/dbraw/zinc/85/92/51/607859251.db2.gz XUVCXYKZWADLIC-HIFRSBDPSA-N 1 0 388.497 1.782 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826300805 607907034 /nfs/dbraw/zinc/90/70/34/607907034.db2.gz GXWXJKKSQRBWLF-HNNXBMFYSA-N 1 0 390.513 1.528 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(C(=O)NCCNc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC000826023190 607928137 /nfs/dbraw/zinc/92/81/37/607928137.db2.gz YQJFXXPCIHNYMZ-HNNXBMFYSA-N 1 0 399.503 1.047 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000825866029 607933431 /nfs/dbraw/zinc/93/34/31/607933431.db2.gz PNIPRTQMHOBKKY-MRXNPFEDSA-N 1 0 394.483 1.285 20 0 GDADRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826028811 607982775 /nfs/dbraw/zinc/98/27/75/607982775.db2.gz IHSGOIUUGLUMNE-IAGOWNOFSA-N 1 0 391.435 1.367 20 0 GDADRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccccc1 ZINC000826028495 607982900 /nfs/dbraw/zinc/98/29/00/607982900.db2.gz BJLPTBXXWDMPSP-DLBZAZTESA-N 1 0 391.435 1.367 20 0 GDADRO CS[C@@H]1CN(C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1[NH+](C)C ZINC000826227845 608015394 /nfs/dbraw/zinc/01/53/94/608015394.db2.gz YOUQJCWVLKFBLH-LSDHHAIUSA-N 1 0 392.554 1.604 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(F)c2F)c1-c1nn[nH]n1 ZINC000826077630 608019578 /nfs/dbraw/zinc/01/95/78/608019578.db2.gz ORASVNSMCGBCPA-UHFFFAOYSA-N 1 0 376.371 1.201 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ccccc3)[nH]2)c1-c1nn[nH]n1 ZINC000826084270 608020702 /nfs/dbraw/zinc/02/07/02/608020702.db2.gz XJYQTYXSPNGCRF-UHFFFAOYSA-N 1 0 391.439 1.989 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1-c1nn[nH]n1 ZINC000826084256 608021695 /nfs/dbraw/zinc/02/16/95/608021695.db2.gz WQABRJSWDIXYNM-UHFFFAOYSA-N 1 0 379.428 1.784 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C=C(C)c2cccc(F)c2)c1-c1nn[nH]n1 ZINC000826077376 608022054 /nfs/dbraw/zinc/02/20/54/608022054.db2.gz GIPXIDNTIFKAGV-PKNBQFBNSA-N 1 0 384.419 1.923 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N(C)CC[NH+]1CCCC1 ZINC000824045952 608032663 /nfs/dbraw/zinc/03/26/63/608032663.db2.gz PTSVEJRLHDXSJW-LBPRGKRZSA-N 1 0 377.880 1.875 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cc(-c2ccccc2)no1 ZINC000825935272 608035719 /nfs/dbraw/zinc/03/57/19/608035719.db2.gz YJKKFUDVSDCEEU-UHFFFAOYSA-N 1 0 379.428 1.892 20 0 GDADRO COCCO[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000826160434 608039112 /nfs/dbraw/zinc/03/91/12/608039112.db2.gz RJWCXNYFUIXTNK-LBPRGKRZSA-N 1 0 380.474 1.384 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[N@H+](C)[C@H](C)C1 ZINC000824978942 608041940 /nfs/dbraw/zinc/04/19/40/608041940.db2.gz YNZCCUFPZRYBQK-MNOVXSKESA-N 1 0 375.502 1.380 20 0 GDADRO O=C(CC[N@@H+]1CCOC[C@@H]1C1CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407266 608045980 /nfs/dbraw/zinc/04/59/80/608045980.db2.gz HGIAFBPSANBDPR-OAHLLOKOSA-N 1 0 376.848 1.960 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825460474 608063514 /nfs/dbraw/zinc/06/35/14/608063514.db2.gz YDDUBRLGKVDNRO-ROUUACIJSA-N 1 0 399.499 1.824 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824975986 608065168 /nfs/dbraw/zinc/06/51/68/608065168.db2.gz LQZMECDFPHRZNZ-JEBQAFNWSA-N 1 0 397.483 1.432 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000825865839 608074041 /nfs/dbraw/zinc/07/40/41/608074041.db2.gz MXVAWLKRMBRQCJ-UHFFFAOYSA-N 1 0 395.467 1.575 20 0 GDADRO Fc1ccccc1N1CCC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000826378673 608101278 /nfs/dbraw/zinc/10/12/78/608101278.db2.gz VSELZJFHIPYZHL-KGLIPLIRSA-N 1 0 397.462 1.503 20 0 GDADRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000824393256 608112928 /nfs/dbraw/zinc/11/29/28/608112928.db2.gz RDRBSNMSBUKPRK-HSMVNMDESA-N 1 0 386.435 1.346 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000826176088 608133819 /nfs/dbraw/zinc/13/38/19/608133819.db2.gz ADDNKRIMKHFQMO-UHFFFAOYSA-N 1 0 389.456 1.383 20 0 GDADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-c2nn[nH]n2)nc1 ZINC000826429972 608134973 /nfs/dbraw/zinc/13/49/73/608134973.db2.gz QUEYCMIFEVXXDD-OKZBNKHCSA-N 1 0 389.463 1.902 20 0 GDADRO C[C@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824999341 608150842 /nfs/dbraw/zinc/15/08/42/608150842.db2.gz FQTPYGXLZZHMDB-WFASDCNBSA-N 1 0 376.896 1.377 20 0 GDADRO C[C@H]1CN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824994192 608151214 /nfs/dbraw/zinc/15/12/14/608151214.db2.gz UCCQYMSJSXXYOK-KXBFYZLASA-N 1 0 392.511 1.877 20 0 GDADRO C[C@H]1CN(c2nc3c(cc2-c2nn[nH]n2)CCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000825001279 608151391 /nfs/dbraw/zinc/15/13/91/608151391.db2.gz YNYKZYIUSXGHDE-KSSFIOAISA-N 1 0 382.516 1.213 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)C[C@H]1[NH+](C)C ZINC000826227486 608205527 /nfs/dbraw/zinc/20/55/27/608205527.db2.gz ROBVYUQLGBFUHR-NILFDRSVSA-N 1 0 376.486 1.138 20 0 GDADRO C[NH+](C)CCOc1cc(NC(=O)COc2cccc(-c3nn[nH]n3)c2)ccn1 ZINC000825870692 608209424 /nfs/dbraw/zinc/20/94/24/608209424.db2.gz YLIWXTRKCQOOLM-UHFFFAOYSA-N 1 0 383.412 1.220 20 0 GDADRO C[N@H+](CC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCSC1 ZINC000825892054 608209460 /nfs/dbraw/zinc/20/94/60/608209460.db2.gz DIPQVUYZCSSFMI-HOTGVXAUSA-N 1 0 388.497 1.204 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC000824875126 608220058 /nfs/dbraw/zinc/22/00/58/608220058.db2.gz INFILWYFXZUYGB-OKILXGFUSA-N 1 0 386.504 1.546 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC000825866227 608221933 /nfs/dbraw/zinc/22/19/33/608221933.db2.gz TXDBBPPSAGWACI-UHFFFAOYSA-N 1 0 398.446 1.403 20 0 GDADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000824764009 608263424 /nfs/dbraw/zinc/26/34/24/608263424.db2.gz RGZZYRVSDVITEL-ZDUSSCGKSA-N 1 0 393.451 1.965 20 0 GDADRO CCCn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)nn1 ZINC000825357085 608268948 /nfs/dbraw/zinc/26/89/48/608268948.db2.gz XQUFLFMOLZPESR-UHFFFAOYSA-N 1 0 383.460 1.072 20 0 GDADRO CCC[C@H]1CN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000825252525 608313587 /nfs/dbraw/zinc/31/35/87/608313587.db2.gz IPYZBZSQQRSXAX-SFHVURJKSA-N 1 0 386.500 1.759 20 0 GDADRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826321609 608320445 /nfs/dbraw/zinc/32/04/45/608320445.db2.gz JJLKXSHRVZABMW-WBVHZDCISA-N 1 0 383.456 1.783 20 0 GDADRO C[C@H](CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)[N@@H+]1CCCC[C@H]1C ZINC000824937158 608326385 /nfs/dbraw/zinc/32/63/85/608326385.db2.gz OBCVKQMLMPHQHR-CHWSQXEVSA-N 1 0 396.492 1.688 20 0 GDADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000824093640 608327755 /nfs/dbraw/zinc/32/77/55/608327755.db2.gz ISCIRGPDTPNSDF-UHFFFAOYSA-N 1 0 396.492 1.688 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825450913 608329993 /nfs/dbraw/zinc/32/99/93/608329993.db2.gz FKUAXLBEISXNOI-LBPRGKRZSA-N 1 0 382.465 1.157 20 0 GDADRO C[NH+](C)CC1CCN(S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000825860864 608342372 /nfs/dbraw/zinc/34/23/72/608342372.db2.gz ZOYVGRAWEVMZOT-UHFFFAOYSA-N 1 0 386.428 1.107 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC000826275208 608375250 /nfs/dbraw/zinc/37/52/50/608375250.db2.gz RYNIFMXLHOPWRL-UHFFFAOYSA-N 1 0 385.394 1.661 20 0 GDADRO Cc1nc(CN2CCC[C@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3F)C2)no1 ZINC000826326032 608392244 /nfs/dbraw/zinc/39/22/44/608392244.db2.gz WIEDRURHIXPFBX-AWEZNQCLSA-N 1 0 386.435 1.794 20 0 GDADRO CC[NH+](CC)CCOc1ccc(CNc2ccc(-c3nn[nH]n3)nn2)cc1OC ZINC000825412553 608401655 /nfs/dbraw/zinc/40/16/55/608401655.db2.gz RJJLWUKBHVTPDR-UHFFFAOYSA-N 1 0 398.471 1.998 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000825219528 608407861 /nfs/dbraw/zinc/40/78/61/608407861.db2.gz KHDLMRMSTNHSMQ-CHWSQXEVSA-N 1 0 375.502 1.815 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000825460267 608484880 /nfs/dbraw/zinc/48/48/80/608484880.db2.gz SKZJCVPSRAYBGF-UHFFFAOYSA-N 1 0 381.484 1.120 20 0 GDADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000825476509 608491389 /nfs/dbraw/zinc/49/13/89/608491389.db2.gz MFQVDLLTUXARJY-ZDUSSCGKSA-N 1 0 393.451 1.906 20 0 GDADRO NC(=O)COc1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826391524 608515219 /nfs/dbraw/zinc/51/52/19/608515219.db2.gz OUHRRLHJJRIOSK-GOSISDBHSA-N 1 0 378.436 1.898 20 0 GDADRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)n(C)n1 ZINC000826269784 608523199 /nfs/dbraw/zinc/52/31/99/608523199.db2.gz XJOBYPRDVLGNNZ-DLBZAZTESA-N 1 0 392.467 1.681 20 0 GDADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000530463715 649976583 /nfs/dbraw/zinc/97/65/83/649976583.db2.gz YFGZYMCCSFUWJT-NSHDSACASA-N 1 0 387.889 1.140 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000826176455 608527960 /nfs/dbraw/zinc/52/79/60/608527960.db2.gz QDUXPKVLJYJGCX-KRWDZBQOSA-N 1 0 388.472 1.491 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000826412663 608529949 /nfs/dbraw/zinc/52/99/49/608529949.db2.gz YACFSTAQQQLWMT-KRWDZBQOSA-N 1 0 390.447 1.565 20 0 GDADRO Fc1ccc(N2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)nc1 ZINC000826375684 608563108 /nfs/dbraw/zinc/56/31/08/608563108.db2.gz YDWORGBKKAWZNV-UHFFFAOYSA-N 1 0 383.431 1.992 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc([S@](C)=O)cc1 ZINC000824562037 608579144 /nfs/dbraw/zinc/57/91/44/608579144.db2.gz BWVCEJNVRYRULH-JWNZJDHWSA-N 1 0 384.465 1.893 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000824985571 608588042 /nfs/dbraw/zinc/58/80/42/608588042.db2.gz XLEAVVZZKGADJX-ZIAGYGMSSA-N 1 0 395.471 1.015 20 0 GDADRO CC(C)N(C)C(=O)C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000824284819 608596311 /nfs/dbraw/zinc/59/63/11/608596311.db2.gz NQJCPFRNADQZNC-UHFFFAOYSA-N 1 0 382.472 1.593 20 0 GDADRO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000826510970 608752821 /nfs/dbraw/zinc/75/28/21/608752821.db2.gz VKPAKCJHWPIMIP-HDICACEKSA-N 1 0 381.436 1.373 20 0 GDADRO CC(C)S(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000824556055 609147755 /nfs/dbraw/zinc/14/77/55/609147755.db2.gz ZNXMLDJYCKKKMT-GFCCVEGCSA-N 1 0 396.492 1.859 20 0 GDADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824553299 609152785 /nfs/dbraw/zinc/15/27/85/609152785.db2.gz BFQNBPMTMHXUNS-LLVKDONJSA-N 1 0 394.476 1.613 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259058 609162163 /nfs/dbraw/zinc/16/21/63/609162163.db2.gz GEFZXXNMKUZVNB-DOMZBBRYSA-N 1 0 392.467 1.716 20 0 GDADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826433711 609188221 /nfs/dbraw/zinc/18/82/21/609188221.db2.gz OPEURMKAZVBACY-RTBURBONSA-N 1 0 392.463 1.853 20 0 GDADRO C[C@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000824422437 609194131 /nfs/dbraw/zinc/19/41/31/609194131.db2.gz ZWEZETWGWSTDRQ-KUHUBIRLSA-N 1 0 392.463 1.463 20 0 GDADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826436356 609198602 /nfs/dbraw/zinc/19/86/02/609198602.db2.gz QRJKOYCRZSFLKG-UHFFFAOYSA-N 1 0 394.483 1.527 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825865803 609215516 /nfs/dbraw/zinc/21/55/16/609215516.db2.gz LQNBNGQKZVDBIS-SFHVURJKSA-N 1 0 398.442 1.630 20 0 GDADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000824957366 609216012 /nfs/dbraw/zinc/21/60/12/609216012.db2.gz XJFALDPMLABLSF-LPHOPBHVSA-N 1 0 398.511 1.871 20 0 GDADRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)C2=O)n(C)n1 ZINC000826269627 609240907 /nfs/dbraw/zinc/24/09/07/609240907.db2.gz RNUVXNWDXOAVLX-CJNGLKHVSA-N 1 0 380.456 1.755 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824613925 609327527 /nfs/dbraw/zinc/32/75/27/609327527.db2.gz YMBBGTRBOIDNNB-NSHDSACASA-N 1 0 397.414 1.072 20 0 GDADRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824593704 609332197 /nfs/dbraw/zinc/33/21/97/609332197.db2.gz SELHVDGMBSYEKL-CXAGYDPISA-N 1 0 389.479 1.599 20 0 GDADRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585294 609333395 /nfs/dbraw/zinc/33/33/95/609333395.db2.gz PFZDSTLLXPGWNI-GXTWGEPZSA-N 1 0 375.452 1.244 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545856 609335300 /nfs/dbraw/zinc/33/53/00/609335300.db2.gz DYQSDKRMGSNPCP-GDBMZVCRSA-N 1 0 389.479 1.063 20 0 GDADRO Cn1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361358 609337893 /nfs/dbraw/zinc/33/78/93/609337893.db2.gz UKDHWJAXMININO-ROUUACIJSA-N 1 0 378.484 1.984 20 0 GDADRO O=C1CC2(CN1)CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1Br)CC2 ZINC000826479081 609362316 /nfs/dbraw/zinc/36/23/16/609362316.db2.gz PXHSKHLJPIYZLX-UHFFFAOYSA-N 1 0 391.273 1.731 20 0 GDADRO C[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824470453 609367817 /nfs/dbraw/zinc/36/78/17/609367817.db2.gz IGCBBTAUKWRCLJ-DZGCQCFKSA-N 1 0 397.483 1.574 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477220 609417693 /nfs/dbraw/zinc/41/76/93/609417693.db2.gz XWBRARPAWDDZMK-TVFCKZIOSA-N 1 0 394.479 1.909 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H]1CCc2ccccc2C1 ZINC000825000175 609420673 /nfs/dbraw/zinc/42/06/73/609420673.db2.gz NQFLXPCNTGDDFW-JKSUJKDBSA-N 1 0 390.495 1.972 20 0 GDADRO CC(C)(C)[C@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000824844191 609501941 /nfs/dbraw/zinc/50/19/41/609501941.db2.gz RUWNHQPOBRKQAE-YWZLYKJASA-N 1 0 397.483 1.959 20 0 GDADRO Cc1c(Cl)cnc(N2CCC(C[NH+]3CCOCC3)CC2)c1-c1nn[nH]n1 ZINC000826238192 609535826 /nfs/dbraw/zinc/53/58/26/609535826.db2.gz YZEOQRLPKKSEMB-UHFFFAOYSA-N 1 0 377.880 1.772 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)C[NH+]1CCCC1 ZINC000824426828 609537743 /nfs/dbraw/zinc/53/77/43/609537743.db2.gz JBZVQNNQSVLNAS-NSHDSACASA-N 1 0 384.893 1.530 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)[C@@H](C)C1 ZINC000825452469 609550034 /nfs/dbraw/zinc/55/00/34/609550034.db2.gz OZDDXSXASVTBEE-FZMZJTMJSA-N 1 0 398.920 1.871 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000825390508 609552154 /nfs/dbraw/zinc/55/21/54/609552154.db2.gz HSJWUYQYUQFPNA-NSHDSACASA-N 1 0 384.893 1.482 20 0 GDADRO CCCn1cc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000825361652 609599282 /nfs/dbraw/zinc/59/92/82/609599282.db2.gz GZNRJFRIXWIJRM-QGZVFWFLSA-N 1 0 380.456 1.758 20 0 GDADRO Cc1cc(C(=O)N(CC[NH+](C)C)C(C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257744 609600013 /nfs/dbraw/zinc/60/00/13/609600013.db2.gz NWMBJIVVBVWOLJ-UHFFFAOYSA-N 1 0 382.472 1.773 20 0 GDADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)C1 ZINC000531044760 649986206 /nfs/dbraw/zinc/98/62/06/649986206.db2.gz RVOXDMRXMLMUDD-XELLLNAOSA-N 1 0 385.917 1.615 20 0 GDADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)C1 ZINC000531044761 649986285 /nfs/dbraw/zinc/98/62/85/649986285.db2.gz RVOXDMRXMLMUDD-YDBLSZJJSA-N 1 0 385.917 1.615 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC000532791522 650034186 /nfs/dbraw/zinc/03/41/86/650034186.db2.gz YSFUNJJYWWKINB-QWRGUYRKSA-N 1 0 394.950 1.462 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCC[C@H]2CO)c1 ZINC000532966105 650038851 /nfs/dbraw/zinc/03/88/51/650038851.db2.gz BXHRDJPBRKSTIA-LBPRGKRZSA-N 1 0 389.905 1.376 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cccc(F)c1I ZINC000533085040 650040506 /nfs/dbraw/zinc/04/05/06/650040506.db2.gz WPILNAXHNZCDJO-UHFFFAOYSA-N 1 0 380.201 1.738 20 0 GDADRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000533327785 650048674 /nfs/dbraw/zinc/04/86/74/650048674.db2.gz XZKKNJLGQDSNGX-UHFFFAOYSA-N 1 0 388.559 1.542 20 0 GDADRO CCC[C@H]1CN(C(=O)NCc2n[nH]cc2Br)CC[N@@H+]1CCOC ZINC000535040858 650239171 /nfs/dbraw/zinc/23/91/71/650239171.db2.gz QLYOISQQWDWPBJ-LBPRGKRZSA-N 1 0 388.310 1.815 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000535258227 650244785 /nfs/dbraw/zinc/24/47/85/650244785.db2.gz NONAKDPJCFEAMV-AWEZNQCLSA-N 1 0 382.507 1.986 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)c1 ZINC000535735215 650254925 /nfs/dbraw/zinc/25/49/25/650254925.db2.gz NTDALDFEOVYKAD-NSHDSACASA-N 1 0 384.274 1.997 20 0 GDADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000536841267 650281922 /nfs/dbraw/zinc/28/19/22/650281922.db2.gz XDRNDDBDFREDTD-CMPLNLGQSA-N 1 0 380.279 1.922 20 0 GDADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000536841274 650281932 /nfs/dbraw/zinc/28/19/32/650281932.db2.gz XDRNDDBDFREDTD-PWSUYJOCSA-N 1 0 380.279 1.922 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000538523638 650313259 /nfs/dbraw/zinc/31/32/59/650313259.db2.gz GZNJAKUNRXHQPP-AVGNSLFASA-N 1 0 381.523 1.886 20 0 GDADRO CN(CC(=O)NCCOCC[NH+](C)C)C(=O)c1ccc(Br)s1 ZINC000538646803 650315973 /nfs/dbraw/zinc/31/59/73/650315973.db2.gz RLSGVURZVCUXAI-UHFFFAOYSA-N 1 0 392.319 1.277 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C[C@H](C)O1 ZINC000539067486 650327631 /nfs/dbraw/zinc/32/76/31/650327631.db2.gz PHCFYRIMMKPEHJ-RYUDHWBXSA-N 1 0 389.905 1.217 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000539163850 650329120 /nfs/dbraw/zinc/32/91/20/650329120.db2.gz LXVOCADHGDWJBI-CYBMUJFWSA-N 1 0 382.507 1.729 20 0 GDADRO COCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000539165953 650329433 /nfs/dbraw/zinc/32/94/33/650329433.db2.gz KAGZLEJRMCMTTJ-MRXNPFEDSA-N 1 0 377.551 1.340 20 0 GDADRO CC[N@H+](CCC1CCN(C(=O)NCCNS(C)(=O)=O)CC1)CC(C)C ZINC000539171725 650329675 /nfs/dbraw/zinc/32/96/75/650329675.db2.gz WZZLUCWBIWWLLR-UHFFFAOYSA-N 1 0 376.567 1.325 20 0 GDADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000539237577 650331605 /nfs/dbraw/zinc/33/16/05/650331605.db2.gz MNPYACIRYSDIEX-NSHDSACASA-N 1 0 382.935 1.503 20 0 GDADRO O=S(=O)(CC[NH2+]C1CCC(O)(C(F)(F)F)CC1)NCc1ccccc1 ZINC000540166442 650350963 /nfs/dbraw/zinc/35/09/63/650350963.db2.gz XSNPRPCEHJHZLI-UHFFFAOYSA-N 1 0 380.432 1.932 20 0 GDADRO COCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000540259142 650353669 /nfs/dbraw/zinc/35/36/69/650353669.db2.gz SHEVGTQNUMLVLW-HUUCEWRRSA-N 1 0 377.551 1.198 20 0 GDADRO O=C(Cn1cc(Br)cn1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541052505 650377215 /nfs/dbraw/zinc/37/72/15/650377215.db2.gz DBXJDVHWHYHTJN-INIZCTEOSA-N 1 0 393.285 1.529 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)[C@H](N2CCOCC2)C1 ZINC000541248242 650380706 /nfs/dbraw/zinc/38/07/06/650380706.db2.gz CDIBPAUVPCBHDE-DQVOVIAYSA-N 1 0 384.929 1.673 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1ccc(F)c(I)c1 ZINC000541528290 650385721 /nfs/dbraw/zinc/38/57/21/650385721.db2.gz HWGSHZCGDQVFGK-UHFFFAOYSA-N 1 0 380.201 1.738 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000916160787 660187581 /nfs/dbraw/zinc/18/75/81/660187581.db2.gz FYWBGIHXGSLDAA-DOMZBBRYSA-N 1 0 397.317 1.961 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(S(N)(=O)=O)c1 ZINC000542133868 650399507 /nfs/dbraw/zinc/39/95/07/650399507.db2.gz FBUKQDXZVSNKLD-ZWNOBZJWSA-N 1 0 379.404 1.538 20 0 GDADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCOCC[NH+](C)C ZINC000543387668 650421594 /nfs/dbraw/zinc/42/15/94/650421594.db2.gz BFFIIDZNJSELSU-LLVKDONJSA-N 1 0 376.284 1.806 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)[C@H]1CCCOC1 ZINC000543506956 650423279 /nfs/dbraw/zinc/42/32/79/650423279.db2.gz GXIQABJEZHTMRZ-STQMWFEESA-N 1 0 398.301 1.909 20 0 GDADRO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(I)cc2)C1 ZINC000543674304 650426610 /nfs/dbraw/zinc/42/66/10/650426610.db2.gz JJZNXFMBDRMQJM-LLVKDONJSA-N 1 0 380.251 1.664 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000543675332 650426657 /nfs/dbraw/zinc/42/66/57/650426657.db2.gz HZMXEYYHQHYQDZ-CQSZACIVSA-N 1 0 388.555 1.582 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000544606180 650441877 /nfs/dbraw/zinc/44/18/77/650441877.db2.gz QRXQQCHCLZBJIX-ZDUSSCGKSA-N 1 0 389.543 1.046 20 0 GDADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1Cl ZINC000545862685 650462591 /nfs/dbraw/zinc/46/25/91/650462591.db2.gz RYGVPCVOPDMWCI-OAHLLOKOSA-N 1 0 376.240 1.123 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000545902089 650465047 /nfs/dbraw/zinc/46/50/47/650465047.db2.gz LEULCODHBREZGQ-HNNXBMFYSA-N 1 0 398.301 1.904 20 0 GDADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000546092777 650470707 /nfs/dbraw/zinc/47/07/07/650470707.db2.gz JNRCKYRKXZKRDP-UHFFFAOYSA-N 1 0 396.962 1.751 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000546586047 650480073 /nfs/dbraw/zinc/48/00/73/650480073.db2.gz BKERRVHCSKXXJS-QGZVFWFLSA-N 1 0 397.313 1.680 20 0 GDADRO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000547276387 650493602 /nfs/dbraw/zinc/49/36/02/650493602.db2.gz HXQPHZQJXAMXFQ-QGZVFWFLSA-N 1 0 380.286 1.895 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000547294352 650494318 /nfs/dbraw/zinc/49/43/18/650494318.db2.gz MNQLRJIFZKONQD-CQSZACIVSA-N 1 0 379.766 1.480 20 0 GDADRO CC(C)(C)C1=CC[N@H+](CCNC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000548248659 650538627 /nfs/dbraw/zinc/53/86/27/650538627.db2.gz JFQMDDVXVILFSI-UHFFFAOYSA-N 1 0 385.555 1.821 20 0 GDADRO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000548753279 650562355 /nfs/dbraw/zinc/56/23/55/650562355.db2.gz OFSWTJPDIVFZBA-VXGBXAGGSA-N 1 0 391.946 1.717 20 0 GDADRO Cc1nc(NCCc2ccc(OCC[NH+](C)C)cc2)sc1S(N)(=O)=O ZINC000548986240 650567349 /nfs/dbraw/zinc/56/73/49/650567349.db2.gz DFBHHRPXUMNHHQ-UHFFFAOYSA-N 1 0 384.527 1.694 20 0 GDADRO C[C@H](COC1CCCC1)CS(=O)(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000549372351 650575656 /nfs/dbraw/zinc/57/56/56/650575656.db2.gz GCBCANSPLDLVCK-IAGOWNOFSA-N 1 0 376.563 1.594 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C(F)(F)F)n1 ZINC000549788796 650583191 /nfs/dbraw/zinc/58/31/91/650583191.db2.gz VYWYVYVANNDQLZ-GFCCVEGCSA-N 1 0 380.436 1.791 20 0 GDADRO CS(=O)(=O)CC1CCC([NH2+]C[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000551005695 650599535 /nfs/dbraw/zinc/59/95/35/650599535.db2.gz OBUAJSBEUVLCAD-OFLPRAFFSA-N 1 0 376.588 1.387 20 0 GDADRO C[C@H](NC(=O)C1(c2cccc(Br)c2)CC1)C(=O)NCC[NH+](C)C ZINC000552302646 650622938 /nfs/dbraw/zinc/62/29/38/650622938.db2.gz CYDDHRKNEUBXAP-LBPRGKRZSA-N 1 0 382.302 1.663 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc(Cl)cc2Cl)CC1=O ZINC000552359915 650624132 /nfs/dbraw/zinc/62/41/32/650624132.db2.gz ZZKVOZLGLUWMHL-CYBMUJFWSA-N 1 0 388.295 1.902 20 0 GDADRO COC(=O)[C@@H](CNC(=O)C[N@H+](C)C(C)C)Oc1ccc(Br)cc1 ZINC000552468376 650626892 /nfs/dbraw/zinc/62/68/92/650626892.db2.gz KSWFOXCOJMPGAT-CQSZACIVSA-N 1 0 387.274 1.826 20 0 GDADRO CCC[N@H+](C)[C@H](CNC(=O)NCCNS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000553728928 650655054 /nfs/dbraw/zinc/65/50/54/650655054.db2.gz ZXTYSPBKDOYZTH-OAHLLOKOSA-N 1 0 390.937 1.571 20 0 GDADRO [NH3+]C1(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CCCCC1 ZINC000553945023 650664617 /nfs/dbraw/zinc/66/46/17/650664617.db2.gz IRZDDHKSEDPUIL-UHFFFAOYSA-N 1 0 387.527 1.047 20 0 GDADRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(S(N)(=O)=O)s2)c1 ZINC000554017620 650666516 /nfs/dbraw/zinc/66/65/16/650666516.db2.gz MSIJDNOSZFBDHR-UHFFFAOYSA-N 1 0 383.495 1.978 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)CC[N@@H+]1C ZINC000554334859 650673268 /nfs/dbraw/zinc/67/32/68/650673268.db2.gz MFNYOTKOFKECDR-GXTWGEPZSA-N 1 0 394.313 1.933 20 0 GDADRO O=S(=O)(NCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000554377864 650674160 /nfs/dbraw/zinc/67/41/60/650674160.db2.gz VKMKYFJQFGRKMI-GXFFZTMASA-N 1 0 388.358 1.943 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000554731767 650680949 /nfs/dbraw/zinc/68/09/49/650680949.db2.gz UVOGJEVXRUCCME-JTQLQIEISA-N 1 0 378.420 1.893 20 0 GDADRO CSC1(CNS(=O)(=O)c2cn(C)nc2C(F)(F)F)CC[NH+](C)CC1 ZINC000555368325 650690070 /nfs/dbraw/zinc/69/00/70/650690070.db2.gz XQUCIWHQZKRWIL-UHFFFAOYSA-N 1 0 386.465 1.545 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3nc(CC(F)(F)F)cs3)[C@@H]2C1 ZINC000556047104 650698827 /nfs/dbraw/zinc/69/88/27/650698827.db2.gz DFPCZADNOGWTLU-GXSJLCMTSA-N 1 0 376.404 1.739 20 0 GDADRO CO[C@H](C)c1nc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cs1 ZINC000556203609 650700175 /nfs/dbraw/zinc/70/01/75/650700175.db2.gz UJAAAGVGQOMUTP-BZNIZROVSA-N 1 0 386.543 1.020 20 0 GDADRO C[C@](CO)([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000556828940 650713089 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GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000565421291 650795923 /nfs/dbraw/zinc/79/59/23/650795923.db2.gz VRACXLNKLKKVBD-CBAPKCEASA-N 1 0 396.257 1.742 20 0 GDADRO Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)Cn3cccn3)C2=O)ccc1Br ZINC000565712128 650809580 /nfs/dbraw/zinc/80/95/80/650809580.db2.gz QGCZVFSFDKEWLL-HOCLYGCPSA-N 1 0 393.285 1.710 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(F)F ZINC000565773901 650812549 /nfs/dbraw/zinc/81/25/49/650812549.db2.gz AGSXDINLSKDQGL-SNVBAGLBSA-N 1 0 390.184 1.144 20 0 GDADRO C[C@@](C[NH3+])(NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000565833770 650816964 /nfs/dbraw/zinc/81/69/64/650816964.db2.gz CGCZSSPQBXYRLX-AWEZNQCLSA-N 1 0 380.297 1.515 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3c(Cl)ccc4ccccc43)CCN2C1=O ZINC000566020985 650826886 /nfs/dbraw/zinc/82/68/86/650826886.db2.gz KFSIJDMLZGWUGY-SWLSCSKDSA-N 1 0 379.869 1.426 20 0 GDADRO Cn1c(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)nc2ccc(Br)cc21 ZINC000566183603 650833469 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20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1F)c1cccs1 ZINC000566232950 650836641 /nfs/dbraw/zinc/83/66/41/650836641.db2.gz WHPAMSVJROJVFS-STQMWFEESA-N 1 0 389.470 1.051 20 0 GDADRO CSCC[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000566234402 650837220 /nfs/dbraw/zinc/83/72/20/650837220.db2.gz RJRWTIZZVWFKCE-GFCCVEGCSA-N 1 0 382.345 1.926 20 0 GDADRO CC(C)(COc1ncccc1Br)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000566403099 650844097 /nfs/dbraw/zinc/84/40/97/650844097.db2.gz IHZYJVDBUPKGJW-CQSZACIVSA-N 1 0 397.317 1.508 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000566452076 650846478 /nfs/dbraw/zinc/84/64/78/650846478.db2.gz WBYMHQGRWBFCDO-HRCADAONSA-N 1 0 389.587 1.181 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000566486058 650848332 /nfs/dbraw/zinc/84/83/32/650848332.db2.gz APVQNKYGNSSPAB-ZDUSSCGKSA-N 1 0 394.313 1.974 20 0 GDADRO C[C@H](NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000566630911 650860431 /nfs/dbraw/zinc/86/04/31/650860431.db2.gz GZLLYRIOYCVVNY-ITDIGPHOSA-N 1 0 385.295 1.414 20 0 GDADRO C[C@H](NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000566630918 650861093 /nfs/dbraw/zinc/86/10/93/650861093.db2.gz GZLLYRIOYCVVNY-WBIUFABUSA-N 1 0 385.295 1.414 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000566861397 650870511 /nfs/dbraw/zinc/87/05/11/650870511.db2.gz SJLPRFWVUINGLM-RNCFNFMXSA-N 1 0 380.388 1.768 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NCC2CC[NH2+]CC2)cc1Br ZINC000566961567 650876529 /nfs/dbraw/zinc/87/65/29/650876529.db2.gz FYLXITKIBHKZJX-UHFFFAOYSA-N 1 0 384.274 1.902 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)C1 ZINC000567066942 650883358 /nfs/dbraw/zinc/88/33/58/650883358.db2.gz JIMNFWLQKVYCJF-LBPRGKRZSA-N 1 0 388.299 1.469 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000566982008 650878481 /nfs/dbraw/zinc/87/84/81/650878481.db2.gz XQWUBNUIMBYXPJ-JOYOIKCWSA-N 1 0 391.287 1.736 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000567115503 650886810 /nfs/dbraw/zinc/88/68/10/650886810.db2.gz HNANULSIXTZYKX-LSDHHAIUSA-N 1 0 395.301 1.948 20 0 GDADRO CC[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc(C)[nH+]cc1C ZINC000567124818 650887287 /nfs/dbraw/zinc/88/72/87/650887287.db2.gz UAHNRKNRWIMYFQ-OAHLLOKOSA-N 1 0 389.543 1.456 20 0 GDADRO CN(CC(=O)N1c2ccccc2C[C@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)s1 ZINC000567159321 650889750 /nfs/dbraw/zinc/88/97/50/650889750.db2.gz FISOGVGFPVFIAU-LBPRGKRZSA-N 1 0 399.925 1.939 20 0 GDADRO O=S1(=O)CCCC[C@H]1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000567228880 650893754 /nfs/dbraw/zinc/89/37/54/650893754.db2.gz DGQSNJAATCECTF-ZFWWWQNUSA-N 1 0 392.315 1.746 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000567357918 650901703 /nfs/dbraw/zinc/90/17/03/650901703.db2.gz KOQNUXLZYARXCG-UHFFFAOYSA-N 1 0 393.200 1.485 20 0 GDADRO Cn1cc(Br)cc1C(=O)NNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000043147539 644339391 /nfs/dbraw/zinc/33/93/91/644339391.db2.gz KXGYTGRQACXKKY-UHFFFAOYSA-N 1 0 386.294 1.606 20 0 GDADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)Cn1cccn1 ZINC000567687937 650915125 /nfs/dbraw/zinc/91/51/25/650915125.db2.gz FZVKUZVXMNSVLB-MRXNPFEDSA-N 1 0 395.301 1.633 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567784975 650921180 /nfs/dbraw/zinc/92/11/80/650921180.db2.gz KTUHRWDDYSURIT-CYBMUJFWSA-N 1 0 394.273 1.601 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)ccc2Br)C[C@H](C)[NH2+]1 ZINC000567881180 650926677 /nfs/dbraw/zinc/92/66/77/650926677.db2.gz UMBPQNPLPDSMKN-AOOOYVTPSA-N 1 0 388.693 1.928 20 0 GDADRO NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000061509472 644513857 /nfs/dbraw/zinc/51/38/57/644513857.db2.gz XCTJGTKAIRAQDD-UHFFFAOYSA-N 1 0 380.857 1.345 20 0 GDADRO CN(C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@@H]1CC[NH2+]C1 ZINC000567897216 650927782 /nfs/dbraw/zinc/92/77/82/650927782.db2.gz MXJGBIQMUJSJRX-SNVBAGLBSA-N 1 0 378.523 1.939 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000567912568 650929146 /nfs/dbraw/zinc/92/91/46/650929146.db2.gz QLUOFTBZNFXXGH-GDLVEWKHSA-N 1 0 375.441 1.136 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000567912270 650929149 /nfs/dbraw/zinc/92/91/49/650929149.db2.gz KVBVPBLGBKKTDT-RULNRJAQSA-N 1 0 394.324 1.774 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCCC[NH2+]C1CC1 ZINC000567922832 650929857 /nfs/dbraw/zinc/92/98/57/650929857.db2.gz QWQGWSNPMNVXTB-UHFFFAOYSA-N 1 0 380.242 1.303 20 0 GDADRO C[NH+]1CCN(CCNC(=O)/C=C/c2ccc(I)o2)CC1 ZINC000067511368 644555048 /nfs/dbraw/zinc/55/50/48/644555048.db2.gz LUGIKZQZTULWFM-HWKANZROSA-N 1 0 389.237 1.261 20 0 GDADRO O=[N+]([O-])c1nn(CN2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000069796636 644582876 /nfs/dbraw/zinc/58/28/76/644582876.db2.gz RXTMFOWQFVPDKD-GFCCVEGCSA-N 1 0 388.266 1.556 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)c1cc(S(C)(=O)=O)ccc1Br)C1CC1 ZINC000103520749 644603469 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ABYDPTGPAWPEII-NEPJUHHUSA-N 1 0 375.441 1.184 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000569605695 651006846 /nfs/dbraw/zinc/00/68/46/651006846.db2.gz PKZVOLHREHCJNV-MWLCHTKSSA-N 1 0 375.878 1.726 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000569623892 651007607 /nfs/dbraw/zinc/00/76/07/651007607.db2.gz QAUCPXNUHKVUDY-LLVKDONJSA-N 1 0 377.869 1.215 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(I)c(O)c2)CCO1 ZINC000330871777 645431216 /nfs/dbraw/zinc/43/12/16/645431216.db2.gz RHFFOHBNEIZFGF-NSHDSACASA-N 1 0 390.221 1.399 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000569693034 651010730 /nfs/dbraw/zinc/01/07/30/651010730.db2.gz OWYNJQJMKNOHBX-NSHDSACASA-N 1 0 392.319 1.313 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(C)(C)C[NH+](C)C ZINC000330986720 645448110 /nfs/dbraw/zinc/44/81/10/645448110.db2.gz LNWUCJSAKNAOIT-ZDUSSCGKSA-N 1 0 391.559 1.192 20 0 GDADRO 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[NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCCO1 ZINC000418099889 645909359 /nfs/dbraw/zinc/90/93/59/645909359.db2.gz NXCSCPMBPMCXOY-GDBMZVCRSA-N 1 0 397.317 1.787 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)cc1C(F)(F)F ZINC000418098064 645909368 /nfs/dbraw/zinc/90/93/68/645909368.db2.gz ZAJQETGLDXFXGS-GFCCVEGCSA-N 1 0 379.404 1.645 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)[C@H](C)C[NH2+]1 ZINC000419072701 645911586 /nfs/dbraw/zinc/91/15/86/645911586.db2.gz RGHQDHXWLWIGMF-NXEZZACHSA-N 1 0 388.693 1.928 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1Br ZINC000419172133 645912474 /nfs/dbraw/zinc/91/24/74/645912474.db2.gz YPYCAJFIDHUUTL-QWHCGFSZSA-N 1 0 382.302 1.878 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000419438467 645917774 /nfs/dbraw/zinc/91/77/74/645917774.db2.gz HLTIEAUTKWTOCZ-OCCSQVGLSA-N 1 0 398.301 1.708 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419459076 645918262 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GDADRO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Oc1cccc(Br)c1 ZINC000419606967 645924459 /nfs/dbraw/zinc/92/44/59/645924459.db2.gz GMGYSJLLNTZCCD-ZOWXZIJZSA-N 1 0 396.285 1.153 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419774321 645932325 /nfs/dbraw/zinc/93/23/25/645932325.db2.gz HXCNGODHAJLYKS-NSHDSACASA-N 1 0 384.274 1.457 20 0 GDADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000570904219 651059416 /nfs/dbraw/zinc/05/94/16/651059416.db2.gz SXFJSPUTNHBSDY-AWEZNQCLSA-N 1 0 388.559 1.494 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OC(F)F)N1CC[NH+](C)CC1 ZINC000420672709 645950237 /nfs/dbraw/zinc/95/02/37/645950237.db2.gz KGPAGIHVKCQWJH-NSHDSACASA-N 1 0 397.875 1.856 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000570984551 651061314 /nfs/dbraw/zinc/06/13/14/651061314.db2.gz GVRAQRVMZBHHAD-HZPDHXFCSA-N 1 0 376.567 1.420 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2nc3c(s2)CCC3(C)C)CCSC1 ZINC000421190745 645990383 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C[NH+](C)C1CCC(NC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)CC1 ZINC000422631054 646085278 /nfs/dbraw/zinc/08/52/78/646085278.db2.gz ZVWPZHCKCIXJRG-JXQTWKCFSA-N 1 0 382.555 1.749 20 0 GDADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422958964 646103360 /nfs/dbraw/zinc/10/33/60/646103360.db2.gz ZTBBQVNJBYCUNJ-KBPBESRZSA-N 1 0 384.274 1.062 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000422990868 646105677 /nfs/dbraw/zinc/10/56/77/646105677.db2.gz AFNYJHDOOXZTMP-QGZVFWFLSA-N 1 0 380.286 1.762 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000422995899 646106922 /nfs/dbraw/zinc/10/69/22/646106922.db2.gz ZVCYCSHQMASUTE-CYBMUJFWSA-N 1 0 382.302 1.995 20 0 GDADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423159225 646117305 /nfs/dbraw/zinc/11/73/05/646117305.db2.gz FNVVUDRUEZTZJF-ZDUSSCGKSA-N 1 0 388.295 1.917 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000423180451 646118661 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GDADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2csc(Br)c2)C2CC2)CC[NH2+]1 ZINC000423452284 646125188 /nfs/dbraw/zinc/12/51/88/646125188.db2.gz HQPWJRJBJCTEQQ-SNVBAGLBSA-N 1 0 386.315 1.822 20 0 GDADRO C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423523471 646127412 /nfs/dbraw/zinc/12/74/12/646127412.db2.gz NMFGLPAVUSHNNE-GLQYFDAESA-N 1 0 396.285 1.297 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)ccc1Br ZINC000423560053 646130155 /nfs/dbraw/zinc/13/01/55/646130155.db2.gz KSEVRNKKWYMODX-UHFFFAOYSA-N 1 0 382.258 1.751 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc1Br ZINC000423571971 646131639 /nfs/dbraw/zinc/13/16/39/646131639.db2.gz WMQZKQXWTRQNOX-UHFFFAOYSA-N 1 0 382.258 1.751 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423580315 646133263 /nfs/dbraw/zinc/13/32/63/646133263.db2.gz RKEAGXXCBWFOEN-KFNAQCHYSA-N 1 0 394.313 1.918 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000423594383 646135109 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383.495 1.396 20 0 GDADRO CN(C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@H](C[NH3+])C1CC1 ZINC000423950392 646145700 /nfs/dbraw/zinc/14/57/00/646145700.db2.gz OAXUXLADLJNQLQ-SWLSCSKDSA-N 1 0 380.286 1.998 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000423952943 646146448 /nfs/dbraw/zinc/14/64/48/646146448.db2.gz LPZFHMBBOHBSHW-MRVPVSSYSA-N 1 0 398.348 1.279 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423990878 646150566 /nfs/dbraw/zinc/15/05/66/646150566.db2.gz DEFVTVJQBUOIPT-OAHLLOKOSA-N 1 0 376.254 1.784 20 0 GDADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000423996913 646151230 /nfs/dbraw/zinc/15/12/30/646151230.db2.gz XRPGHEMJSYNVKM-ZDUSSCGKSA-N 1 0 385.262 1.065 20 0 GDADRO COc1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)c(I)c1 ZINC000423994759 646151248 /nfs/dbraw/zinc/15/12/48/646151248.db2.gz TTWLPZFHYZOXJR-JTQLQIEISA-N 1 0 376.194 1.018 20 0 GDADRO C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000424001534 646151702 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1.792 20 0 GDADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC(O)(C[NH3+])CC1 ZINC000424055679 646156793 /nfs/dbraw/zinc/15/67/93/646156793.db2.gz JPFATXMMMRAVTQ-UHFFFAOYSA-N 1 0 399.285 1.733 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000432514926 646189055 /nfs/dbraw/zinc/18/90/55/646189055.db2.gz OGZGKFYVEHYILJ-KWQFWETISA-N 1 0 384.221 1.895 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000439219243 646228820 /nfs/dbraw/zinc/22/88/20/646228820.db2.gz ZHIUQIHIMXMOOY-UHFFFAOYSA-N 1 0 384.274 1.950 20 0 GDADRO COC(=O)CC1([NH2+]Cc2cc(-n3ccnc3)cs2)CCS(=O)(=O)CC1 ZINC000439790523 646235361 /nfs/dbraw/zinc/23/53/61/646235361.db2.gz UBXGSZLRIBCAMT-UHFFFAOYSA-N 1 0 383.495 1.534 20 0 GDADRO CN(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cn1 ZINC000441342252 646254426 /nfs/dbraw/zinc/25/44/26/646254426.db2.gz YKOXRMBYGQHFEU-UHFFFAOYSA-N 1 0 387.868 1.403 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000442168017 646263512 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20 0 GDADRO C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)S(N)(=O)=O ZINC000443505000 647213668 /nfs/dbraw/zinc/21/36/68/647213668.db2.gz YARTYAHMAWJIFY-KGLIPLIRSA-N 1 0 388.559 1.497 20 0 GDADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444057241 647236663 /nfs/dbraw/zinc/23/66/63/647236663.db2.gz MCDSJKSHHPKUEY-CYBMUJFWSA-N 1 0 389.543 1.136 20 0 GDADRO Cc1ncsc1CCS(=O)(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920274370 660268835 /nfs/dbraw/zinc/26/88/35/660268835.db2.gz NFSCGFKWLWXNEG-TXCZRRACSA-N 1 0 387.571 1.393 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3sccc3OC)C2)[C@@H]1C(C)C ZINC000920301575 660269304 /nfs/dbraw/zinc/26/93/04/660269304.db2.gz FFUDXPQZJILSPV-LGWLGOQQSA-N 1 0 388.555 1.905 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)C[C@@H]3CCC3(F)F)C2)[C@H]1C(C)C ZINC000920309229 660270099 /nfs/dbraw/zinc/27/00/99/660270099.db2.gz IRAGJHIWAJHQBX-GCSSGZNBSA-N 1 0 380.501 1.821 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000445558273 647270812 /nfs/dbraw/zinc/27/08/12/647270812.db2.gz OHWDEIHFOHJUDT-MNOVXSKESA-N 1 0 379.479 1.136 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000445819522 647274886 /nfs/dbraw/zinc/27/48/86/647274886.db2.gz PQCSCICNHXLUKP-LBPRGKRZSA-N 1 0 381.267 1.720 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)cc1C ZINC000452092570 647314070 /nfs/dbraw/zinc/31/40/70/647314070.db2.gz VHHQWIPLEOBEOK-UHFFFAOYSA-N 1 0 389.543 1.056 20 0 GDADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000452093052 647314151 /nfs/dbraw/zinc/31/41/51/647314151.db2.gz XPDGSCSTUSIHIM-UHFFFAOYSA-N 1 0 393.506 1.350 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)cc1 ZINC000452095507 647314703 /nfs/dbraw/zinc/31/47/03/647314703.db2.gz LFVZTOQKKRXQEM-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO O=C(COc1ccc(Br)cc1F)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452388662 647322388 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C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455852796 647390785 /nfs/dbraw/zinc/39/07/85/647390785.db2.gz WVYYYARHIZVAGZ-LLVKDONJSA-N 1 0 381.278 2.488 20 0 GDADRO CCc1n[nH]c(C(=O)NC(C)(C)CN2CC[NH+](CC)CC2)c1Br ZINC000456888185 647407536 /nfs/dbraw/zinc/40/75/36/647407536.db2.gz XEYACCRMQHHVBL-UHFFFAOYSA-N 1 0 386.338 1.881 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000457974198 647430755 /nfs/dbraw/zinc/43/07/55/647430755.db2.gz JWBOJTGJIUUNMY-OAHLLOKOSA-N 1 0 388.559 1.245 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000920998984 660279823 /nfs/dbraw/zinc/27/98/23/660279823.db2.gz WMSQNGRQHLYUDM-UKRRQHHQSA-N 1 0 384.571 1.604 20 0 GDADRO Cn1cc(I)c(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000459093943 647456793 /nfs/dbraw/zinc/45/67/93/647456793.db2.gz HFIXRTQYXLAIPJ-JTQLQIEISA-N 1 0 391.257 1.260 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000460801469 647474834 /nfs/dbraw/zinc/47/48/34/647474834.db2.gz 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660307279 /nfs/dbraw/zinc/30/72/79/660307279.db2.gz FQFXABXTQFTBMN-UHFFFAOYSA-N 1 0 383.543 1.837 20 0 GDADRO Cc1nc(CCCC(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000467644052 647648889 /nfs/dbraw/zinc/64/88/89/647648889.db2.gz QXLCHSREYUEZTJ-MRXNPFEDSA-N 1 0 387.571 1.742 20 0 GDADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1nc[nH]c1Br)c1cccnc1 ZINC000921480085 660304021 /nfs/dbraw/zinc/30/40/21/660304021.db2.gz YYROTDICOWKUMT-NSHDSACASA-N 1 0 388.291 1.539 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000468063679 647656914 /nfs/dbraw/zinc/65/69/14/647656914.db2.gz GYGIXYZJOVTAQF-HOTGVXAUSA-N 1 0 392.587 1.256 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2c(Cl)cccc2I)C1 ZINC000468301332 647661571 /nfs/dbraw/zinc/66/15/71/647661571.db2.gz UHJINSSEZVCQRL-ZDUSSCGKSA-N 1 0 394.640 1.741 20 0 GDADRO CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921517105 660307068 /nfs/dbraw/zinc/30/70/68/660307068.db2.gz YMQGZVLVOYMIBC-HZSPNIEDSA-N 1 0 390.575 1.007 20 0 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CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000497354633 648026278 /nfs/dbraw/zinc/02/62/78/648026278.db2.gz KBLSRPWTBPBUQA-BXUZGUMPSA-N 1 0 394.946 1.680 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH3+])C1 ZINC000497356648 648026724 /nfs/dbraw/zinc/02/67/24/648026724.db2.gz BAIDXKUOFFRKED-NSHDSACASA-N 1 0 393.303 1.444 20 0 GDADRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000497359002 648027506 /nfs/dbraw/zinc/02/75/06/648027506.db2.gz ZHMUDYQBJGKTTB-HNNXBMFYSA-N 1 0 396.962 1.926 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[C@@H]1[NH3+] ZINC000497366958 648028060 /nfs/dbraw/zinc/02/80/60/648028060.db2.gz QJXGHYHKLPCZFJ-MFKMUULPSA-N 1 0 376.320 1.873 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497502055 648030602 /nfs/dbraw/zinc/03/06/02/648030602.db2.gz DFFBHDZAUWFHND-BFHYXJOUSA-N 1 0 378.853 1.187 20 0 GDADRO CCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H](C)CS(C)(=O)=O ZINC000497713574 648035687 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GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000501609123 648144245 /nfs/dbraw/zinc/14/42/45/648144245.db2.gz SVMUDIQRVDVGRN-UHFFFAOYSA-N 1 0 375.878 1.140 20 0 GDADRO CCOC(=O)CCCCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000502383565 648164804 /nfs/dbraw/zinc/16/48/04/648164804.db2.gz BWEOXESVPHJGOI-INIZCTEOSA-N 1 0 376.519 1.236 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000502836513 648174084 /nfs/dbraw/zinc/17/40/84/648174084.db2.gz VUQGYEOTFAWHDB-ZIAGYGMSSA-N 1 0 389.315 1.727 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000502837872 648174101 /nfs/dbraw/zinc/17/41/01/648174101.db2.gz AJRSAFKROXWNOE-MRXNPFEDSA-N 1 0 376.567 1.612 20 0 GDADRO NC(=O)[C@]1(O)CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000502880632 648176433 /nfs/dbraw/zinc/17/64/33/648176433.db2.gz HARKJDUPSFYFPL-YOEHRIQHSA-N 1 0 386.279 1.579 20 0 GDADRO CCCN(C(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000503405128 648185269 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Cn1c2ccc(C[NH2+]C[C@@H](N3CCOCC3)C(F)(F)F)cc2sc1=O ZINC000512983500 648418841 /nfs/dbraw/zinc/41/88/41/648418841.db2.gz RZGCLPZVWTUXRK-CQSZACIVSA-N 1 0 375.416 1.953 20 0 GDADRO Cc1n[nH]cc1C[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000513039895 648419406 /nfs/dbraw/zinc/41/94/06/648419406.db2.gz DOIXRZGPYMLJDK-UHFFFAOYSA-N 1 0 387.303 1.857 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000513016563 648419423 /nfs/dbraw/zinc/41/94/23/648419423.db2.gz KKGSIWLTNNNYET-UHFFFAOYSA-N 1 0 381.885 1.815 20 0 GDADRO COC(=O)C[C@](C)([NH2+]CC(=O)N1CCNC1=O)c1ccc(Br)cc1 ZINC000513152334 648423145 /nfs/dbraw/zinc/42/31/45/648423145.db2.gz DKXVRKCIFPPWCF-INIZCTEOSA-N 1 0 398.257 1.369 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513202863 648425291 /nfs/dbraw/zinc/42/52/91/648425291.db2.gz ZAFWMMDDJGXOPD-HNNXBMFYSA-N 1 0 380.432 1.936 20 0 GDADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000513809252 648443427 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CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[C@@H](C[NH2+]C)C1 ZINC000572961754 651464654 /nfs/dbraw/zinc/46/46/54/651464654.db2.gz XZFXECXBYUOBAW-HNNXBMFYSA-N 1 0 388.555 1.185 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc(I)ccc1C ZINC000573014023 651465724 /nfs/dbraw/zinc/46/57/24/651465724.db2.gz UFPHEJPRMCRBBO-JTQLQIEISA-N 1 0 376.194 1.819 20 0 GDADRO O=C(NCC1CC1)[C@@H]1CSCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000573265165 651473372 /nfs/dbraw/zinc/47/33/72/651473372.db2.gz UJHQRYCEHKYSGD-CVEARBPZSA-N 1 0 383.583 1.632 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(F)F ZINC000573488064 651480788 /nfs/dbraw/zinc/48/07/88/651480788.db2.gz MWKABXJOESWQTP-ZIAGYGMSSA-N 1 0 375.441 1.329 20 0 GDADRO O[C@@H](CN1CCOCC1)CN1CCOc2cc(F)c(Br)cc21 ZINC000573502766 651481474 /nfs/dbraw/zinc/48/14/74/651481474.db2.gz WKXHPJWRRFCCBA-NSHDSACASA-N 1 0 375.238 1.480 20 0 GDADRO COCC[NH2+]CCNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000573800718 651494951 /nfs/dbraw/zinc/49/49/51/651494951.db2.gz HFBYSKWBLMEGLY-INIZCTEOSA-N 1 0 384.318 1.938 20 0 GDADRO Cc1cc(Br)cn2c(CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cnc12 ZINC000573816558 651496833 /nfs/dbraw/zinc/49/68/33/651496833.db2.gz HCEOVWQXNXJFFR-GXTWGEPZSA-N 1 0 378.274 1.149 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000573821392 651497572 /nfs/dbraw/zinc/49/75/72/651497572.db2.gz FVZLVQIMSYPZEQ-WFASDCNBSA-N 1 0 395.301 1.853 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000573921714 651501830 /nfs/dbraw/zinc/50/18/30/651501830.db2.gz JRNVONNMYSBYNC-OAHLLOKOSA-N 1 0 393.285 1.970 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC000574060288 651514029 /nfs/dbraw/zinc/51/40/29/651514029.db2.gz DGCLDSUMLKKSMC-LWWSYDQCSA-N 1 0 380.286 1.630 20 0 GDADRO CCN(C)C(=O)c1cccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000574072830 651514556 /nfs/dbraw/zinc/51/45/56/651514556.db2.gz MMTBNIPPNQBPMP-QGZVFWFLSA-N 1 0 385.555 1.494 20 0 GDADRO Cc1nnc2n1C[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)CC2 ZINC000574067704 651514579 /nfs/dbraw/zinc/51/45/79/651514579.db2.gz DVHUNDGCPYMUKO-UKRRQHHQSA-N 1 0 395.301 1.941 20 0 GDADRO COC(=O)C[C@](C)([NH2+]C[C@@](C)(O)C(=O)OC)c1ccc(Br)cc1 ZINC000574117650 651517102 /nfs/dbraw/zinc/51/71/02/651517102.db2.gz RKOPUHYJLVDITE-JKSUJKDBSA-N 1 0 388.258 1.741 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000574175952 651521753 /nfs/dbraw/zinc/52/17/53/651521753.db2.gz CNENWJAGEXKHJI-UHFFFAOYSA-N 1 0 381.274 1.693 20 0 GDADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000574385481 651537269 /nfs/dbraw/zinc/53/72/69/651537269.db2.gz MPHGTYGGWJVZKT-RISCZKNCSA-N 1 0 387.311 1.142 20 0 GDADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000574385482 651537327 /nfs/dbraw/zinc/53/73/27/651537327.db2.gz MPHGTYGGWJVZKT-SMDDNHRTSA-N 1 0 387.311 1.142 20 0 GDADRO COC(=O)CC[N@@H+]1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000574455653 651544095 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[NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3cc(F)c(Br)c(F)c3)CCN2C1=O ZINC000574824464 651572588 /nfs/dbraw/zinc/57/25/88/651572588.db2.gz XMMNBSCDOHYGIK-GZMMTYOYSA-N 1 0 389.200 1.503 20 0 GDADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H]1C ZINC000574838787 651573278 /nfs/dbraw/zinc/57/32/78/651573278.db2.gz DQFPDHHNJCVQRZ-UGUYLWEFSA-N 1 0 375.535 1.215 20 0 GDADRO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000575180486 651588435 /nfs/dbraw/zinc/58/84/35/651588435.db2.gz YGFVWTPKUJGBAC-ZDUSSCGKSA-N 1 0 380.901 1.556 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc(F)c1Br ZINC000576087749 651628265 /nfs/dbraw/zinc/62/82/65/651628265.db2.gz WHCLZLXNSOMZIQ-MFKMUULPSA-N 1 0 384.249 1.998 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc(I)ccc1Cl ZINC000576148259 651640241 /nfs/dbraw/zinc/64/02/41/651640241.db2.gz SNTCWPSQUAPLCM-SNVBAGLBSA-N 1 0 393.656 1.578 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000576346061 651655643 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O=C(CNC(=O)c1ccc(Br)cn1)NCC[NH+]1CCCCCC1 ZINC000577645300 651745088 /nfs/dbraw/zinc/74/50/88/651745088.db2.gz SZPMRKCHHGCEQV-UHFFFAOYSA-N 1 0 383.290 1.566 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000577733418 651748295 /nfs/dbraw/zinc/74/82/95/651748295.db2.gz MIACREGXGZBYGM-LBPRGKRZSA-N 1 0 391.921 1.603 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000577843211 651757104 /nfs/dbraw/zinc/75/71/04/651757104.db2.gz MMKWENSKTPLUSS-SWLSCSKDSA-N 1 0 395.301 1.853 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577849846 651757895 /nfs/dbraw/zinc/75/78/95/651757895.db2.gz JMKITGBPMFZVDI-QWRGUYRKSA-N 1 0 392.262 1.521 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000578055514 651769730 /nfs/dbraw/zinc/76/97/30/651769730.db2.gz JKNYSRHDCOMMJJ-UHFFFAOYSA-N 1 0 392.319 1.232 20 0 GDADRO Cn1cc(C[C@@H](CO)[NH2+]CCC(=O)Nc2ccc(Br)cc2)cn1 ZINC000578131927 651775533 /nfs/dbraw/zinc/77/55/33/651775533.db2.gz DKJYZDFEBWKHAR-HNNXBMFYSA-N 1 0 381.274 1.704 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000578304323 651787717 /nfs/dbraw/zinc/78/77/17/651787717.db2.gz YTMKYTUBNSRPMV-CQSZACIVSA-N 1 0 375.441 1.234 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000578639332 651803072 /nfs/dbraw/zinc/80/30/72/651803072.db2.gz FPVNQLGNQQAWBE-AGKHESDQSA-N 1 0 396.285 1.677 20 0 GDADRO CC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000578668895 651806830 /nfs/dbraw/zinc/80/68/30/651806830.db2.gz UCAFJDALYLKONR-BZNIZROVSA-N 1 0 384.274 1.529 20 0 GDADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000578739903 651809426 /nfs/dbraw/zinc/80/94/26/651809426.db2.gz WEGAWYUEBOCKOK-DOTOQJQBSA-N 1 0 398.345 1.664 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1cc(Cl)ccc1Br ZINC000578772427 651813492 /nfs/dbraw/zinc/81/34/92/651813492.db2.gz VGWZWWRYCSJIIH-ZDUSSCGKSA-N 1 0 376.682 1.818 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000579916511 651885042 /nfs/dbraw/zinc/88/50/42/651885042.db2.gz XVAGWQCMDNYGBX-CABCVRRESA-N 1 0 375.535 1.216 20 0 GDADRO O=C(C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)N1CCCCC1 ZINC000579946869 651887492 /nfs/dbraw/zinc/88/74/92/651887492.db2.gz CSHZIQWORUIPCD-CQSZACIVSA-N 1 0 389.265 1.930 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000579950674 651887567 /nfs/dbraw/zinc/88/75/67/651887567.db2.gz NFLQAOLVDQEBDA-CQSZACIVSA-N 1 0 375.441 1.443 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000580073196 651893587 /nfs/dbraw/zinc/89/35/87/651893587.db2.gz FESTWANQOMZYDO-UHFFFAOYSA-N 1 0 388.511 1.698 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3cccc(Br)c3Cl)CCN2C1=O ZINC000580096860 651896626 /nfs/dbraw/zinc/89/66/26/651896626.db2.gz ROFPJAFZRUOYCX-PSASIEDQSA-N 1 0 387.665 1.878 20 0 GDADRO O=C(C(=O)N1CCc2c(Cl)cc(Cl)cc2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000580312105 651911467 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C[C@@H]([NH3+])[C@@H](C)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000581944344 651981247 /nfs/dbraw/zinc/98/12/47/651981247.db2.gz JLHRTOACDUJQCC-HTQZYQBOSA-N 1 0 387.811 1.489 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000582486494 651999413 /nfs/dbraw/zinc/99/94/13/651999413.db2.gz NJOWCPXVQPCPRI-SNVBAGLBSA-N 1 0 380.297 1.612 20 0 GDADRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000582542465 652003384 /nfs/dbraw/zinc/00/33/84/652003384.db2.gz XHQXQYPJQZJOKA-AWEZNQCLSA-N 1 0 385.507 1.828 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000582725118 652010949 /nfs/dbraw/zinc/01/09/49/652010949.db2.gz FXAFDBYBGHIJBU-QWRGUYRKSA-N 1 0 386.294 1.928 20 0 GDADRO CCc1n[nH]c(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1Br ZINC000582819629 652017565 /nfs/dbraw/zinc/01/75/65/652017565.db2.gz IVRFQBGKNMWIOL-UHFFFAOYSA-N 1 0 386.338 1.833 20 0 GDADRO CC[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1nc(C(F)(F)F)cs1 ZINC000583193460 652029432 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C[C@H]1C[C@@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC[N@@H+]1C ZINC000607689452 652804739 /nfs/dbraw/zinc/80/47/39/652804739.db2.gz YNSYNJRWXBHCAT-KBPBESRZSA-N 1 0 385.555 1.674 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000608029945 652810993 /nfs/dbraw/zinc/81/09/93/652810993.db2.gz IUWQYRBDVALAAJ-LBPRGKRZSA-N 1 0 377.532 1.192 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000609708786 652855945 /nfs/dbraw/zinc/85/59/45/652855945.db2.gz QUHNIVPZROXQPO-LSDHHAIUSA-N 1 0 377.551 1.462 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(C)c(S(N)(=O)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000614459937 652960274 /nfs/dbraw/zinc/96/02/74/652960274.db2.gz LXQYLILPMUVZOZ-LSDHHAIUSA-N 1 0 383.539 1.294 20 0 GDADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H](CO)C[NH+](C)C ZINC000614858947 652960442 /nfs/dbraw/zinc/96/04/42/652960442.db2.gz MWJOLVWLYHZOGO-ZDUSSCGKSA-N 1 0 382.917 1.965 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614661778 652961377 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COc1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1Br ZINC000627361697 653073709 /nfs/dbraw/zinc/07/37/09/653073709.db2.gz WHKUAHXSBVFIJQ-AWEZNQCLSA-N 1 0 398.301 1.530 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000627377184 653074091 /nfs/dbraw/zinc/07/40/91/653074091.db2.gz BBDZRYZCWDWVTG-XHNCKOQMSA-N 1 0 375.313 1.490 20 0 GDADRO CN(CCOCC[NH3+])C(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000627425180 653075155 /nfs/dbraw/zinc/07/51/55/653075155.db2.gz HPNXHBZMHUBNFP-UHFFFAOYSA-N 1 0 376.284 1.476 20 0 GDADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627488450 653075842 /nfs/dbraw/zinc/07/58/42/653075842.db2.gz YWFBZVBQLOZMIX-NSHDSACASA-N 1 0 376.284 1.994 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3csc(C(F)(F)F)c3)C[C@@H]21 ZINC000627493304 653076209 /nfs/dbraw/zinc/07/62/09/653076209.db2.gz CUMLZBQERITZNH-GRYCIOLGSA-N 1 0 375.416 1.969 20 0 GDADRO O=C(CNC(=O)c1cc(O)cc(Br)c1)NCC[NH+]1CCCCCC1 ZINC000627513498 653076500 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OGOUEEUNYSNENT-DOMZBBRYSA-N 1 0 380.432 1.928 20 0 GDADRO C[NH2+]CCOCCN(C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000629571339 653173489 /nfs/dbraw/zinc/17/34/89/653173489.db2.gz SHDKCWFMBTYJMY-UHFFFAOYSA-N 1 0 383.539 1.881 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629788005 653182439 /nfs/dbraw/zinc/18/24/39/653182439.db2.gz BXRRYSQUAIEOCS-IYBDPMFKSA-N 1 0 384.274 1.459 20 0 GDADRO CN(CCc1cccs1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629800453 653183010 /nfs/dbraw/zinc/18/30/10/653183010.db2.gz UFZYFZHHXARPOP-DGCLKSJQSA-N 1 0 377.432 1.735 20 0 GDADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000629821959 653184277 /nfs/dbraw/zinc/18/42/77/653184277.db2.gz NDAPVCMEBFLKDI-VNHYZAJKSA-N 1 0 394.313 1.961 20 0 GDADRO O=C(COc1ccc(Br)cc1Cl)NCC[N@H+]1CC[C@H](O)C1 ZINC000629911396 653191797 /nfs/dbraw/zinc/19/17/97/653191797.db2.gz VWOBHZJGJNYQLL-NSHDSACASA-N 1 0 377.666 1.664 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000629914212 653193023 /nfs/dbraw/zinc/19/30/23/653193023.db2.gz YLOLFBCRKXUFQW-HNNXBMFYSA-N 1 0 379.258 1.431 20 0 GDADRO O=C(COc1ccc(Br)cn1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000630946071 653227549 /nfs/dbraw/zinc/22/75/49/653227549.db2.gz REFCOOVIFOENSE-KBPBESRZSA-N 1 0 384.274 1.281 20 0 GDADRO CC(C)[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)N1CCOCC1 ZINC000631036091 653229432 /nfs/dbraw/zinc/22/94/32/653229432.db2.gz FNVPRLPCMHGJFL-HNNXBMFYSA-N 1 0 375.922 1.434 20 0 GDADRO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000631695927 653244369 /nfs/dbraw/zinc/24/43/69/653244369.db2.gz CQRGMCLPINKDNE-WFASDCNBSA-N 1 0 378.441 1.374 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000631708174 653245279 /nfs/dbraw/zinc/24/52/79/653245279.db2.gz BRTKCVQOEMOQEE-LLVKDONJSA-N 1 0 381.420 1.951 20 0 GDADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631712879 653245699 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GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCCc2nc(C(C)(C)C)cs2)CC1 ZINC000631905173 653265953 /nfs/dbraw/zinc/26/59/53/653265953.db2.gz HEPMOCZFKFUNJH-UHFFFAOYSA-N 1 0 388.603 1.540 20 0 GDADRO Cn1ccnc1[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000631910073 653267083 /nfs/dbraw/zinc/26/70/83/653267083.db2.gz WFVYRESUVFOEPY-LSDHHAIUSA-N 1 0 384.889 1.071 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCc1ccc(F)c(Br)c1 ZINC000631914040 653268591 /nfs/dbraw/zinc/26/85/91/653268591.db2.gz MKLCQELILLLNJE-UHFFFAOYSA-N 1 0 394.310 1.649 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCCc1ccc(Br)cc1F ZINC000631920983 653271338 /nfs/dbraw/zinc/27/13/38/653271338.db2.gz KFTXACHHXLNXLI-ZDUSSCGKSA-N 1 0 395.294 1.429 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]1c1ccccc1Br ZINC000631926100 653272388 /nfs/dbraw/zinc/27/23/88/653272388.db2.gz NKVIZBLZJLTCPU-WFASDCNBSA-N 1 0 389.315 1.904 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)Cc3ncsc3Br)C[C@@H]21 ZINC000631932634 653274046 /nfs/dbraw/zinc/27/40/46/653274046.db2.gz XAAYUAYCPOCRBC-KXUCPTDWSA-N 1 0 380.333 1.795 20 0 GDADRO O=S(=O)(c1cscc1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000631936679 653274614 /nfs/dbraw/zinc/27/46/14/653274614.db2.gz IXHQOKMSDJVHBN-SNVBAGLBSA-N 1 0 380.333 1.179 20 0 GDADRO Cc1cc(S(=O)(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)sn1 ZINC000631945311 653276345 /nfs/dbraw/zinc/27/63/45/653276345.db2.gz VFEUUMUMXVZKRI-UHFFFAOYSA-N 1 0 380.539 1.723 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000631947983 653276872 /nfs/dbraw/zinc/27/68/72/653276872.db2.gz RUOQJEMAVHBNDQ-HNNXBMFYSA-N 1 0 391.896 1.781 20 0 GDADRO O=S(=O)(c1cccc(COCC(F)(F)C(F)F)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631970013 653281958 /nfs/dbraw/zinc/28/19/58/653281958.db2.gz QAAOCUGEKAKIEC-RYUDHWBXSA-N 1 0 382.379 1.838 20 0 GDADRO O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000631973912 653282911 /nfs/dbraw/zinc/28/29/11/653282911.db2.gz NCHHDVPOVFAYJI-TXEJJXNPSA-N 1 0 377.388 1.104 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631981347 653284497 /nfs/dbraw/zinc/28/44/97/653284497.db2.gz QRNGEULXHKNCNF-BZNIZROVSA-N 1 0 387.889 1.727 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H](c2ccsc2)O1 ZINC000632100146 653304894 /nfs/dbraw/zinc/30/48/94/653304894.db2.gz VURHIGHAHAUBMX-WBVHZDCISA-N 1 0 387.571 1.477 20 0 GDADRO Cn1c2ccc(S(=O)(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2sc1=O ZINC000632112313 653307587 /nfs/dbraw/zinc/30/75/87/653307587.db2.gz UBBZIOMJQHBMFN-OCCSQVGLSA-N 1 0 381.523 1.705 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC000632214085 653317924 /nfs/dbraw/zinc/31/79/24/653317924.db2.gz RFOCYGXUJOGZOG-GFCCVEGCSA-N 1 0 388.358 1.686 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cscc1Br ZINC000632228102 653320079 /nfs/dbraw/zinc/32/00/79/653320079.db2.gz RUIAUJUHIIVINS-LLVKDONJSA-N 1 0 396.376 1.815 20 0 GDADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)c2c[nH]c(=O)s2)CC1 ZINC000632303592 653330720 /nfs/dbraw/zinc/33/07/20/653330720.db2.gz QYRCZTJBUSDHBV-ZDUSSCGKSA-N 1 0 391.559 1.731 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000632383134 653350419 /nfs/dbraw/zinc/35/04/19/653350419.db2.gz WOZSLHACYAPILY-UHFFFAOYSA-N 1 0 377.819 1.968 20 0 GDADRO CSc1ccc(S(=O)(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)cc1 ZINC000632490535 653362545 /nfs/dbraw/zinc/36/25/45/653362545.db2.gz KSKKWBNDEFNILA-INIZCTEOSA-N 1 0 383.539 1.382 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1onc(C3CC3)c1Cl)CCO2 ZINC000632503582 653366073 /nfs/dbraw/zinc/36/60/73/653366073.db2.gz IKUHBQWGSWZYRF-UHFFFAOYSA-N 1 0 375.878 1.691 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCC3(CC2)C(F)(F)C3(F)F)CC1 ZINC000632509154 653366973 /nfs/dbraw/zinc/36/69/73/653366973.db2.gz YNMVHSSYROHBEP-UHFFFAOYSA-N 1 0 387.443 1.320 20 0 GDADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000632639746 653390185 /nfs/dbraw/zinc/39/01/85/653390185.db2.gz JZOHVMWLQHCSJB-UHFFFAOYSA-N 1 0 386.539 1.729 20 0 GDADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000632659179 653394588 /nfs/dbraw/zinc/39/45/88/653394588.db2.gz ZFMAPHLPVSPNGB-UHFFFAOYSA-N 1 0 386.539 1.511 20 0 GDADRO C[NH2+]Cc1cccc(NC(=O)C(=O)NCc2c(Br)cnn2C)c1 ZINC000633015988 653419806 /nfs/dbraw/zinc/41/98/06/653419806.db2.gz GVSCKKOZOOHYHE-UHFFFAOYSA-N 1 0 380.246 1.157 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633032125 653422633 /nfs/dbraw/zinc/42/26/33/653422633.db2.gz BMHGMFDSPZDHIC-TXEJJXNPSA-N 1 0 385.873 1.035 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633556948 653455383 /nfs/dbraw/zinc/45/53/83/653455383.db2.gz YVDYXYRNSJWRSI-LLVKDONJSA-N 1 0 394.273 1.289 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC000634122249 653487818 /nfs/dbraw/zinc/48/78/18/653487818.db2.gz TUWTUEPLMKVELB-UHFFFAOYSA-N 1 0 380.440 1.660 20 0 GDADRO C[NH+](C)CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000635118464 653506908 /nfs/dbraw/zinc/50/69/08/653506908.db2.gz GYZHCUGAGXDQNX-UHFFFAOYSA-N 1 0 391.946 1.576 20 0 GDADRO COC[C@@]1(C(=O)NCC(=O)Nc2ccc(Br)cc2)CCCC[NH2+]1 ZINC000637935003 653532260 /nfs/dbraw/zinc/53/22/60/653532260.db2.gz GSTKJVLNMYDJNA-MRXNPFEDSA-N 1 0 384.274 1.663 20 0 GDADRO C[C@@H](NC(=O)CN1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000637936886 653532316 /nfs/dbraw/zinc/53/23/16/653532316.db2.gz HYXQAWXIFNZDTB-LLVKDONJSA-N 1 0 384.274 1.303 20 0 GDADRO [NH3+]C[C@@]1(C(=O)NCCNC(=O)c2ccc(Br)cc2)CCCOC1 ZINC000637940370 653532538 /nfs/dbraw/zinc/53/25/38/653532538.db2.gz AVISJOXOIFBDTC-INIZCTEOSA-N 1 0 384.274 1.051 20 0 GDADRO O=C(CCC1C[NH2+]C1)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000638018445 653534813 /nfs/dbraw/zinc/53/48/13/653534813.db2.gz PAXBWJKFNWGJFZ-UHFFFAOYSA-N 1 0 385.555 1.581 20 0 GDADRO [NH3+]Cc1ncc(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000638076298 653535568 /nfs/dbraw/zinc/53/55/68/653535568.db2.gz JRVYIOLYOLYLPU-LBPRGKRZSA-N 1 0 390.285 1.954 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)[C@]3(C)C[NH2+]CCO3)C2=O)ccc1Br ZINC000638301198 653537699 /nfs/dbraw/zinc/53/76/99/653537699.db2.gz SEMDCCZPQQONHU-PBHICJAKSA-N 1 0 396.285 1.358 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@]3(C)C[NH2+]CCO3)C2=O)ccc1Br ZINC000638301210 653537758 /nfs/dbraw/zinc/53/77/58/653537758.db2.gz SEMDCCZPQQONHU-RHSMWYFYSA-N 1 0 396.285 1.358 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCCN2CCCC2=O)cc1Br ZINC000638301870 653537770 /nfs/dbraw/zinc/53/77/70/653537770.db2.gz QGXQNQLURNZRPH-UHFFFAOYSA-N 1 0 390.303 1.199 20 0 GDADRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000638328661 653538279 /nfs/dbraw/zinc/53/82/79/653538279.db2.gz KNALPEANYUVRMN-VHSXEESVSA-N 1 0 397.444 1.772 20 0 GDADRO CS(=O)(=O)c1ccccc1CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638556712 653539865 /nfs/dbraw/zinc/53/98/65/653539865.db2.gz DXEBPTPZEVGINP-STQMWFEESA-N 1 0 378.416 1.618 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638559543 653539942 /nfs/dbraw/zinc/53/99/42/653539942.db2.gz FMBHNFQZMMOUEC-VIFPVBQESA-N 1 0 380.246 1.583 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000638580116 653540495 /nfs/dbraw/zinc/54/04/95/653540495.db2.gz CRLOTNICRWFQBR-OAHLLOKOSA-N 1 0 398.301 1.406 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000638582457 653540706 /nfs/dbraw/zinc/54/07/06/653540706.db2.gz ZVAACCOYZVQWGI-HNNXBMFYSA-N 1 0 388.295 1.950 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596357 653541391 /nfs/dbraw/zinc/54/13/91/653541391.db2.gz NXXKOWBHOHMMOK-MNOVXSKESA-N 1 0 376.201 1.653 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C[NH2+]1 ZINC000638651688 653542051 /nfs/dbraw/zinc/54/20/51/653542051.db2.gz OVYGMTPKCXCNAS-QWRGUYRKSA-N 1 0 379.404 1.240 20 0 GDADRO COc1cc(OC)cc(OCCC[NH2+]Cc2ccc(S(N)(=O)=O)s2)c1 ZINC000638759972 653543076 /nfs/dbraw/zinc/54/30/76/653543076.db2.gz OPRDMKJJBUUOOD-UHFFFAOYSA-N 1 0 386.495 1.971 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000638770498 653543115 /nfs/dbraw/zinc/54/31/15/653543115.db2.gz DCIMGHQJAAERAV-TVQRCGJNSA-N 1 0 380.242 1.302 20 0 GDADRO O=c1c(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cccn1C(F)F ZINC000638773609 653543247 /nfs/dbraw/zinc/54/32/47/653543247.db2.gz NEMIHZRMDHADMW-LLVKDONJSA-N 1 0 378.422 1.229 20 0 GDADRO [NH3+][C@@H]1CCCCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 ZINC000638823421 653544142 /nfs/dbraw/zinc/54/41/42/653544142.db2.gz LYDGJIONYZQJJB-CQSZACIVSA-N 1 0 385.555 1.805 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCOc2cccc(C(F)(F)F)n2)cc1 ZINC000638826775 653544234 /nfs/dbraw/zinc/54/42/34/653544234.db2.gz UALAEGMCGYKQIA-UHFFFAOYSA-N 1 0 375.372 1.916 20 0 GDADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000638828140 653544482 /nfs/dbraw/zinc/54/44/82/653544482.db2.gz RUNGSCLBLCMLNP-KBPBESRZSA-N 1 0 377.268 1.570 20 0 GDADRO COc1nsc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)c1Br ZINC000639043419 653544785 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O=C(c1nscc1Br)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000652421423 653890568 /nfs/dbraw/zinc/89/05/68/653890568.db2.gz UHLOGKHDBFOVOR-SNVBAGLBSA-N 1 0 387.303 1.332 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000652625455 653894407 /nfs/dbraw/zinc/89/44/07/653894407.db2.gz AIEWLVHCQSYMKZ-UHFFFAOYSA-N 1 0 375.803 1.784 20 0 GDADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653112411 653906614 /nfs/dbraw/zinc/90/66/14/653906614.db2.gz YCJYUEJDTFBNEF-DEYYWGMASA-N 1 0 394.313 1.628 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC3(C[NH3+])CC3)C2)s1 ZINC000653217683 653908649 /nfs/dbraw/zinc/90/86/49/653908649.db2.gz BBZRJJKQMGLFMS-CQSZACIVSA-N 1 0 385.555 1.702 20 0 GDADRO CCO[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000653245792 653909222 /nfs/dbraw/zinc/90/92/22/653909222.db2.gz NGNNJPYGBIPLTJ-JTNHKYCSSA-N 1 0 388.295 1.934 20 0 GDADRO O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654109011 653928645 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Cc1csc(-c2ccc(S(=O)(=O)NCCN3CC[NH+](C)CC3)cc2)n1 ZINC000655561021 653975973 /nfs/dbraw/zinc/97/59/73/653975973.db2.gz ZHLQDZNDCFVLSJ-UHFFFAOYSA-N 1 0 380.539 1.644 20 0 GDADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655647575 653984480 /nfs/dbraw/zinc/98/44/80/653984480.db2.gz MAAUPQMOIAJPKE-NWDGAFQWSA-N 1 0 393.278 1.169 20 0 GDADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655911799 653993415 /nfs/dbraw/zinc/99/34/15/653993415.db2.gz NTYGFOBXAADTNY-LBPRGKRZSA-N 1 0 382.408 1.062 20 0 GDADRO CN1C(=O)C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000655923899 653994215 /nfs/dbraw/zinc/99/42/15/653994215.db2.gz YHPIOEHAHUGKCR-DMDPSCGWSA-N 1 0 378.782 1.801 20 0 GDADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F)s1 ZINC000655930571 653994973 /nfs/dbraw/zinc/99/49/73/653994973.db2.gz RTKNNUQHDANMJL-GJMOJQLCSA-N 1 0 382.412 1.252 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655957466 653996358 /nfs/dbraw/zinc/99/63/58/653996358.db2.gz ZININKSLQZOVKC-SSDOTTSWSA-N 1 0 386.143 1.841 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000656024971 654000408 /nfs/dbraw/zinc/00/04/08/654000408.db2.gz ZNAXTSXOMPZULK-UHFFFAOYSA-N 1 0 380.286 1.728 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000656125798 654003571 /nfs/dbraw/zinc/00/35/71/654003571.db2.gz QLFPOLVNXWOKPK-DDTOSNHZSA-N 1 0 383.290 1.615 20 0 GDADRO [NH3+]CC(=O)N1CCC[C@@H](CN2CCOc3cccc(Br)c3C2)C1 ZINC000656195254 654010877 /nfs/dbraw/zinc/01/08/77/654010877.db2.gz XDGQDXWWCHBHRM-ZDUSSCGKSA-N 1 0 382.302 1.841 20 0 GDADRO O[C@@H]1C[C@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)CC[N@@H+]2C1 ZINC000656219481 654011267 /nfs/dbraw/zinc/01/12/67/654011267.db2.gz YKZHIQOFDPZGKA-NWDGAFQWSA-N 1 0 384.303 1.406 20 0 GDADRO C[C@H]1CC[C@H]([NH2+]C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CS1 ZINC000656254752 654012257 /nfs/dbraw/zinc/01/22/57/654012257.db2.gz BCXJJELFZRTRSO-STQMWFEESA-N 1 0 384.523 1.704 20 0 GDADRO C[C@@H]1CC[C@@H]([NH2+]C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CS1 ZINC000656254746 654012291 /nfs/dbraw/zinc/01/22/91/654012291.db2.gz BCXJJELFZRTRSO-CHWSQXEVSA-N 1 0 384.523 1.704 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cccc(Cl)c1Cl ZINC000656318449 654014222 /nfs/dbraw/zinc/01/42/22/654014222.db2.gz KALKGBBJRBVYPT-GRYCIOLGSA-N 1 0 386.279 1.448 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cccc(O)c2Br)C1=O ZINC000656504275 654032029 /nfs/dbraw/zinc/03/20/29/654032029.db2.gz SHXDTSHYBKJUCS-BZNIZROVSA-N 1 0 382.258 1.965 20 0 GDADRO CO[C@@H](CS(=O)(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000656919976 654072359 /nfs/dbraw/zinc/07/23/59/654072359.db2.gz VVWBJNDUKQTURG-ROUUACIJSA-N 1 0 375.579 1.383 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000657071372 654107308 /nfs/dbraw/zinc/10/73/08/654107308.db2.gz MAKPAEFYMWEJIY-ZDUSSCGKSA-N 1 0 377.938 1.899 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)NCCN(C)CCC[NH+](C)C ZINC000657091761 654108511 /nfs/dbraw/zinc/10/85/11/654108511.db2.gz PGXWEYYCEISYSU-UHFFFAOYSA-N 1 0 392.363 1.919 20 0 GDADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658097190 654181921 /nfs/dbraw/zinc/18/19/21/654181921.db2.gz VTCVIAKPVKJCJU-ZDUSSCGKSA-N 1 0 378.274 1.975 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)CCO1 ZINC000658373602 654186145 /nfs/dbraw/zinc/18/61/45/654186145.db2.gz XWYJZBNCWJKPOS-RNCFNFMXSA-N 1 0 381.267 1.466 20 0 GDADRO O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1OC(F)(F)F ZINC000658381374 654187623 /nfs/dbraw/zinc/18/76/23/654187623.db2.gz KRWNCECGLWMHTR-SNVBAGLBSA-N 1 0 388.795 1.895 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2C1 ZINC000658380313 654187654 /nfs/dbraw/zinc/18/76/54/654187654.db2.gz NKNUTJPNYLIOMJ-OKILXGFUSA-N 1 0 383.539 1.273 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000658384445 654188432 /nfs/dbraw/zinc/18/84/32/654188432.db2.gz ZMOHADOLACFSDM-TZMCWYRMSA-N 1 0 382.404 1.711 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)[C@@H]1CCC[NH3+] ZINC000658399780 654189878 /nfs/dbraw/zinc/18/98/78/654189878.db2.gz AQGIOVMEENWEHY-TZMCWYRMSA-N 1 0 375.516 1.013 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000658407532 654190532 /nfs/dbraw/zinc/19/05/32/654190532.db2.gz UROSBHOSVGFQAX-GFCCVEGCSA-N 1 0 377.894 1.959 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)CC[C@H]1F ZINC000658408104 654191206 /nfs/dbraw/zinc/19/12/06/654191206.db2.gz KJQBUWFJUDGQRT-NXEZZACHSA-N 1 0 395.250 1.280 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000658453046 654193171 /nfs/dbraw/zinc/19/31/71/654193171.db2.gz WVLIVTXAXZMOPV-UHFFFAOYSA-N 1 0 397.317 1.118 20 0 GDADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658902349 654210936 /nfs/dbraw/zinc/21/09/36/654210936.db2.gz UHLMJRYMNNCGOC-OAHLLOKOSA-N 1 0 396.285 1.445 20 0 GDADRO [NH3+]C[C@@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C1CC1 ZINC000659289278 654220612 /nfs/dbraw/zinc/22/06/12/654220612.db2.gz CCXMACNLCBSQKY-CQSZACIVSA-N 1 0 393.285 1.374 20 0 GDADRO Cc1c(Br)cncc1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000659308907 654221554 /nfs/dbraw/zinc/22/15/54/654221554.db2.gz UVQHXTNQOADAGN-LBPRGKRZSA-N 1 0 383.290 1.612 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659367554 654224222 /nfs/dbraw/zinc/22/42/22/654224222.db2.gz JWXTXSBFEXQSAA-OAHLLOKOSA-N 1 0 392.253 1.910 20 0 GDADRO [NH3+]C1(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CCCC1 ZINC000659574985 654229307 /nfs/dbraw/zinc/22/93/07/654229307.db2.gz SFKSSJXGAOVMNJ-CQSZACIVSA-N 1 0 395.301 1.903 20 0 GDADRO [NH3+]C1(CNC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CCCC1 ZINC000659573963 654229480 /nfs/dbraw/zinc/22/94/80/654229480.db2.gz WCRPELXRTYZQCD-UHFFFAOYSA-N 1 0 378.424 1.660 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)N(CCO)Cc1cc(Br)ccc1F ZINC000659617269 654230355 /nfs/dbraw/zinc/23/03/55/654230355.db2.gz SFIKXTXFDWRQGD-UHFFFAOYSA-N 1 0 386.265 1.844 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000659640763 654230986 /nfs/dbraw/zinc/23/09/86/654230986.db2.gz YAEAMDZPVCACBX-NSHDSACASA-N 1 0 398.305 1.812 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000659647566 654231199 /nfs/dbraw/zinc/23/11/99/654231199.db2.gz VHNKKHWVNNQDCV-LBPRGKRZSA-N 1 0 383.290 1.524 20 0 GDADRO CO[C@H](CC(C)C)CS(=O)(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000660150678 654241413 /nfs/dbraw/zinc/24/14/13/654241413.db2.gz KVUJSYCMCJFWPR-IAGOWNOFSA-N 1 0 376.563 1.953 20 0 GDADRO C[C@H]1C[NH+](CCN2CCN(c3nnc(C(F)(F)F)s3)CC2)C[C@H](C)O1 ZINC000660324045 654246555 /nfs/dbraw/zinc/24/65/55/654246555.db2.gz HFRRHRBWHZFIPN-RYUDHWBXSA-N 1 0 379.452 1.788 20 0 GDADRO C[C@@H]1C[NH+](CCN2CCN(c3nnc(C(F)(F)F)s3)CC2)C[C@@H](C)O1 ZINC000660324049 654246764 /nfs/dbraw/zinc/24/67/64/654246764.db2.gz HFRRHRBWHZFIPN-VXGBXAGGSA-N 1 0 379.452 1.788 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](CO)C1CCC1 ZINC000661155273 654264887 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[NH3+]CC12CC(C1)CN2C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000662876573 654315274 /nfs/dbraw/zinc/31/52/74/654315274.db2.gz FGGZFPBXJHMTHT-UHFFFAOYSA-N 1 0 383.539 1.415 20 0 GDADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000663312139 654332880 /nfs/dbraw/zinc/33/28/80/654332880.db2.gz VBJPKKVHKVHKCE-LLVKDONJSA-N 1 0 385.795 1.735 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663312478 654333496 /nfs/dbraw/zinc/33/34/96/654333496.db2.gz CZHFXVNQBYEIJY-CQSZACIVSA-N 1 0 393.303 1.505 20 0 GDADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663493845 654339128 /nfs/dbraw/zinc/33/91/28/654339128.db2.gz LJHJYJKZWGSXTN-INIZCTEOSA-N 1 0 394.313 1.787 20 0 GDADRO COc1ccc([C@H](C)NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1Br ZINC000663516703 654339494 /nfs/dbraw/zinc/33/94/94/654339494.db2.gz RACUGSBPBACUTA-BPNCWPANSA-N 1 0 386.290 1.835 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1C(F)(F)F ZINC000663684932 654347543 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GDADRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCc2cc(Br)cc(F)c21 ZINC000667521433 654453731 /nfs/dbraw/zinc/45/37/31/654453731.db2.gz CQCGCDBWDFJZAH-BETUJISGSA-N 1 0 396.260 1.830 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667540952 654455078 /nfs/dbraw/zinc/45/50/78/654455078.db2.gz ZGMDFNJEYXSXIB-UFBFGSQYSA-N 1 0 388.212 1.876 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000667557701 654455444 /nfs/dbraw/zinc/45/54/44/654455444.db2.gz DJQKQVJYSMESOL-SNVBAGLBSA-N 1 0 380.246 1.096 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000667554615 654455504 /nfs/dbraw/zinc/45/55/04/654455504.db2.gz JJDZIDRHSLABTD-GFCCVEGCSA-N 1 0 398.305 1.944 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000667562502 654455954 /nfs/dbraw/zinc/45/59/54/654455954.db2.gz DYBYOYZUPUIKLM-GFCCVEGCSA-N 1 0 393.289 1.887 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000769426443 654463889 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CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)[C@@H](C[NH3+])C1 ZINC000669553825 654505513 /nfs/dbraw/zinc/50/55/13/654505513.db2.gz CYHWGYPRBIQDQV-OCCSQVGLSA-N 1 0 386.327 1.856 20 0 GDADRO NS(=O)(=O)c1ccsc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000669712999 654508979 /nfs/dbraw/zinc/50/89/79/654508979.db2.gz QILQTTKVKWIATO-UHFFFAOYSA-N 1 0 379.507 1.921 20 0 GDADRO C[C@H](CC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C)NS(=O)(=O)c1cccnc1Cl ZINC000771402860 654537180 /nfs/dbraw/zinc/53/71/80/654537180.db2.gz KGILYYFDOAWUJI-AGIUHOORSA-N 1 0 388.921 1.343 20 0 GDADRO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000771467518 654538592 /nfs/dbraw/zinc/53/85/92/654538592.db2.gz PDSWTGUSGUNOTG-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO CC[NH+](CC)CCOC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000771991733 654553294 /nfs/dbraw/zinc/55/32/94/654553294.db2.gz GHXDBNIURKWVAK-UHFFFAOYSA-N 1 0 379.276 1.595 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 ZINC000672615876 654561451 /nfs/dbraw/zinc/56/14/51/654561451.db2.gz VTNKXYUWIZWGGP-CYBMUJFWSA-N 1 0 385.452 1.334 20 0 GDADRO O=C(CCOc1ccccc1Br)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673516286 654575828 /nfs/dbraw/zinc/57/58/28/654575828.db2.gz HAKKOYRCOPPBRJ-KBPBESRZSA-N 1 0 383.286 1.886 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCC1)C1=Cc2cc(Br)ccc2OC1 ZINC000673530650 654576730 /nfs/dbraw/zinc/57/67/30/654576730.db2.gz HPPDYNXWBJKOSH-HNNXBMFYSA-N 1 0 381.270 1.798 20 0 GDADRO COc1cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc(OC)c1Br ZINC000673530492 654576774 /nfs/dbraw/zinc/57/67/74/654576774.db2.gz HIOVDJOSOASDQI-LBPRGKRZSA-N 1 0 387.274 1.653 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2c(Cl)cccc2Cl)CC1=O ZINC000673550139 654577694 /nfs/dbraw/zinc/57/76/94/654577694.db2.gz LMKQNSWFTDRUPN-GFCCVEGCSA-N 1 0 388.295 1.902 20 0 GDADRO C[C@@H]([NH2+]CC(C)(C)CO)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773074403 654580338 /nfs/dbraw/zinc/58/03/38/654580338.db2.gz VSGJAJZQGSHOAH-GFCCVEGCSA-N 1 0 378.516 1.081 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773152667 654583576 /nfs/dbraw/zinc/58/35/76/654583576.db2.gz RXDAYJBHGCDGNO-UMVBOHGHSA-N 1 0 390.527 1.630 20 0 GDADRO C[C@@H]1Cc2cc(S(=O)(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc(Cl)c2O1 ZINC000736333389 654592012 /nfs/dbraw/zinc/59/20/12/654592012.db2.gz VTVHGLZTAYOTAT-BNOWGMLFSA-N 1 0 386.901 1.805 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000774100081 654610849 /nfs/dbraw/zinc/61/08/49/654610849.db2.gz BBONIWDVXYWNSQ-LLVKDONJSA-N 1 0 381.274 1.692 20 0 GDADRO CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@H]1CCOC1 ZINC000675495947 654617070 /nfs/dbraw/zinc/61/70/70/654617070.db2.gz WAJDGEOUQURXGP-LLVKDONJSA-N 1 0 375.878 1.284 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCN(C)S(C)(=O)=O ZINC000675745214 654623739 /nfs/dbraw/zinc/62/37/39/654623739.db2.gz HIRIIBISBREEPD-CQSZACIVSA-N 1 0 389.949 1.948 20 0 GDADRO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000675746892 654623863 /nfs/dbraw/zinc/62/38/63/654623863.db2.gz QHAAPUJJNJEKGA-CQSZACIVSA-N 1 0 389.543 1.159 20 0 GDADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000775163928 654657653 /nfs/dbraw/zinc/65/76/53/654657653.db2.gz NKAZXYTXYOIDIL-ZDUSSCGKSA-N 1 0 385.295 1.472 20 0 GDADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000775179573 654659648 /nfs/dbraw/zinc/65/96/48/654659648.db2.gz DUJKGQAUBBKNPP-LBPRGKRZSA-N 1 0 394.368 1.774 20 0 GDADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)C[C@H]1C ZINC000677175533 654662206 /nfs/dbraw/zinc/66/22/06/654662206.db2.gz SKXJWDXIFKPENL-UKRRQHHQSA-N 1 0 385.555 1.762 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)C2CCOCC2)[C@@H](C)C1 ZINC000739962226 654666421 /nfs/dbraw/zinc/66/64/21/654666421.db2.gz GFEHVDQRXOZBDP-DOTOQJQBSA-N 1 0 377.551 1.069 20 0 GDADRO CC(C)(CO)[NH+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000677648931 654672649 /nfs/dbraw/zinc/67/26/49/654672649.db2.gz QICKNFBBFCHMLV-UHFFFAOYSA-N 1 0 398.301 1.094 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000740816936 654673399 /nfs/dbraw/zinc/67/33/99/654673399.db2.gz WJNPIJWDJIPCQB-UHFFFAOYSA-N 1 0 387.933 1.501 20 0 GDADRO C[C@@H](CC(=O)N(C)CCC[NH+](C)C)NS(=O)(=O)c1cccnc1Cl ZINC000775818569 654675448 /nfs/dbraw/zinc/67/54/48/654675448.db2.gz WORMWOBCGFACNF-LBPRGKRZSA-N 1 0 376.910 1.202 20 0 GDADRO CN1C(=O)C[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000678611698 654691941 /nfs/dbraw/zinc/69/19/41/654691941.db2.gz IHGWQRHQBKHAKR-RDJZCZTQSA-N 1 0 385.917 1.625 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000776896504 654709990 /nfs/dbraw/zinc/70/99/90/654709990.db2.gz NSPAKDJDTCJEPA-NEPJUHHUSA-N 1 0 378.516 1.222 20 0 GDADRO C[C@H]1CN(C(=S)NCC[NH+](C)C)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000743018787 654711965 /nfs/dbraw/zinc/71/19/65/654711965.db2.gz SXKHXGMRQZSDPQ-AWEZNQCLSA-N 1 0 382.961 1.851 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(Br)cnc2C(N)=O)CC1 ZINC000680332131 654713035 /nfs/dbraw/zinc/71/30/35/654713035.db2.gz OFXGMMLXSCVJHR-LLVKDONJSA-N 1 0 385.306 1.472 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000777316023 654716313 /nfs/dbraw/zinc/71/63/13/654716313.db2.gz WDJCDFLHZHKQIR-KGLIPLIRSA-N 1 0 387.502 1.125 20 0 GDADRO C[C@@]1(CNC(=S)NCCNS(C)(=O)=O)CCC[N@@H+]1Cc1ccccc1 ZINC000777483381 654720115 /nfs/dbraw/zinc/72/01/15/654720115.db2.gz MQGYWXJFJLCZAE-KRWDZBQOSA-N 1 0 384.571 1.054 20 0 GDADRO Cc1cc(Br)cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000680970491 654721243 /nfs/dbraw/zinc/72/12/43/654721243.db2.gz CWZIWBZPTVYVBA-QGZVFWFLSA-N 1 0 396.329 1.894 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000778217372 654735857 /nfs/dbraw/zinc/73/58/57/654735857.db2.gz ZESDAOBGEYDTNC-GUTXKFCHSA-N 1 0 375.922 1.845 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1Br ZINC000681729824 654737793 /nfs/dbraw/zinc/73/77/93/654737793.db2.gz CNYVBCGQURFDJN-GFCCVEGCSA-N 1 0 397.317 1.756 20 0 GDADRO CC1(C)CN(Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@@H+]1CCO ZINC000682035407 654746309 /nfs/dbraw/zinc/74/63/09/654746309.db2.gz XFASEYSBOUSEBM-UHFFFAOYSA-N 1 0 395.301 1.346 20 0 GDADRO CCCN(CCC[NH+](C)C)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000682440744 654753258 /nfs/dbraw/zinc/75/32/58/654753258.db2.gz HBNZJWZWJSKZNY-UHFFFAOYSA-N 1 0 376.567 1.612 20 0 GDADRO O=C(NCCC1CS(=O)(=O)C1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000682448564 654753643 /nfs/dbraw/zinc/75/36/43/654753643.db2.gz RHVUWTHVSQKFPF-AWEZNQCLSA-N 1 0 385.555 1.694 20 0 GDADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000779072775 654754164 /nfs/dbraw/zinc/75/41/64/654754164.db2.gz KKUSTCIBNUCUGG-KBPBESRZSA-N 1 0 376.519 1.161 20 0 GDADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000779139748 654755741 /nfs/dbraw/zinc/75/57/41/654755741.db2.gz OBHZBWALTAMDHR-KFWWJZLASA-N 1 0 375.535 1.503 20 0 GDADRO Cc1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(C)c1Br ZINC000682861699 654763460 /nfs/dbraw/zinc/76/34/60/654763460.db2.gz HXHQKASKTCPAEW-UHFFFAOYSA-N 1 0 382.302 1.912 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(Cn2nc(C(F)(F)F)sc2=S)CC1 ZINC000780445341 654784686 /nfs/dbraw/zinc/78/46/86/654784686.db2.gz UOTMQIJJLWCTCH-UHFFFAOYSA-N 1 0 383.465 1.746 20 0 GDADRO COc1ccc(COC[C@H](O)C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000683766268 654784959 /nfs/dbraw/zinc/78/49/59/654784959.db2.gz MKVQWCFCJPQCLR-CYBMUJFWSA-N 1 0 384.274 1.859 20 0 GDADRO CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000747414145 654785099 /nfs/dbraw/zinc/78/50/99/654785099.db2.gz XTBWDHIBDDBJEC-CYBMUJFWSA-N 1 0 375.535 1.206 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2COc3ccc(Br)cc32)C1 ZINC000683913626 654787563 /nfs/dbraw/zinc/78/75/63/654787563.db2.gz NCNAVDRYEVZPGD-YOEHRIQHSA-N 1 0 383.286 1.840 20 0 GDADRO Cc1nc(CS(=O)(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000684101316 654791054 /nfs/dbraw/zinc/79/10/54/654791054.db2.gz ZXCBCRKEPYQHGK-KRWDZBQOSA-N 1 0 381.523 1.508 20 0 GDADRO O=C(c1c[nH]c2ncc(Br)cc12)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000684277358 654795526 /nfs/dbraw/zinc/79/55/26/654795526.db2.gz DWRPNQBWVABLQE-LSDHHAIUSA-N 1 0 393.285 1.997 20 0 GDADRO C[C@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)[C@H]1CNC(=O)OC(C)(C)C ZINC000747969868 654797163 /nfs/dbraw/zinc/79/71/63/654797163.db2.gz TVKNOJWYXXEIMD-GJZGRUSLSA-N 1 0 377.551 1.893 20 0 GDADRO CC(C)(C)n1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Br)n1 ZINC000780983237 654798838 /nfs/dbraw/zinc/79/88/38/654798838.db2.gz GFNRTCHASAAOHZ-GFCCVEGCSA-N 1 0 387.322 1.977 20 0 GDADRO O=C(NCC12CCC[NH+]1CCC2)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000684846838 654806490 /nfs/dbraw/zinc/80/64/90/654806490.db2.gz GBWFITFHBXDEHG-AWEZNQCLSA-N 1 0 383.539 1.646 20 0 GDADRO CCC(=O)N1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000685042944 654811727 /nfs/dbraw/zinc/81/17/27/654811727.db2.gz PBZWJYSWLJPQSD-UHFFFAOYSA-N 1 0 375.441 1.234 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](O)COCC1CC1 ZINC000748820136 654814485 /nfs/dbraw/zinc/81/44/85/654814485.db2.gz DXYLQQKJWBPTMF-KGLIPLIRSA-N 1 0 391.921 1.082 20 0 GDADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000685717165 654825427 /nfs/dbraw/zinc/82/54/27/654825427.db2.gz STJRSFVBCWKVAZ-UHFFFAOYSA-N 1 0 382.814 1.779 20 0 GDADRO C[NH+]1CCC(CCO)(NCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000685843520 654829552 /nfs/dbraw/zinc/82/95/52/654829552.db2.gz IYOAJSHWOVKSMQ-UHFFFAOYSA-N 1 0 394.317 1.966 20 0 GDADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000749434663 654834246 /nfs/dbraw/zinc/83/42/46/654834246.db2.gz CNWWXJNAHMAZOD-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000749434671 654834327 /nfs/dbraw/zinc/83/43/27/654834327.db2.gz CNWWXJNAHMAZOD-LSDHHAIUSA-N 1 0 375.535 1.647 20 0 GDADRO C[NH+](C)C1(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCC1 ZINC000782593487 654838242 /nfs/dbraw/zinc/83/82/42/654838242.db2.gz DTSJPNBJEIOBHE-UHFFFAOYSA-N 1 0 386.440 1.084 20 0 GDADRO CO[C@]1(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)CCS(=O)(=O)C1 ZINC000721258516 654838709 /nfs/dbraw/zinc/83/87/09/654838709.db2.gz HTDFJRZVKOEICM-ZQIUZPCESA-N 1 0 376.519 1.425 20 0 GDADRO COC[C@@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CC1 ZINC000721746703 654839374 /nfs/dbraw/zinc/83/93/74/654839374.db2.gz SIENPZYOYXQJJM-LSDHHAIUSA-N 1 0 376.519 1.425 20 0 GDADRO CCN(CCC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000724040585 654840706 /nfs/dbraw/zinc/84/07/06/654840706.db2.gz NMVNDRQNDPTDRP-GJZGRUSLSA-N 1 0 377.551 1.941 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000750049574 654847287 /nfs/dbraw/zinc/84/72/87/654847287.db2.gz DTOXREDRRILMMX-UHFFFAOYSA-N 1 0 398.301 1.674 20 0 GDADRO CCOC(=O)c1nn(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c(=S)s1 ZINC000782914066 654848311 /nfs/dbraw/zinc/84/83/11/654848311.db2.gz OPVBDMVBCOKTAA-GFCCVEGCSA-N 1 0 386.543 1.993 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)c2cccn3c(I)cnc23)C1 ZINC000750194427 654849730 /nfs/dbraw/zinc/84/97/30/654849730.db2.gz CKXAEOFLASRVLX-JTQLQIEISA-N 1 0 384.221 1.763 20 0 GDADRO CC1CC[NH+](CCCNC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000726446910 654852483 /nfs/dbraw/zinc/85/24/83/654852483.db2.gz NKPIWUGJIXEWHS-UHFFFAOYSA-N 1 0 384.571 1.420 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=S)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000726466302 654853757 /nfs/dbraw/zinc/85/37/57/654853757.db2.gz PIAHZETYDLALIW-OAHLLOKOSA-N 1 0 382.555 1.269 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cnc1Br ZINC000783319235 654857017 /nfs/dbraw/zinc/85/70/17/654857017.db2.gz BKSXSLQAFSQVDG-GFCCVEGCSA-N 1 0 381.274 1.692 20 0 GDADRO CC[C@@H](CO)[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000727060016 654862779 /nfs/dbraw/zinc/86/27/79/654862779.db2.gz ORRSVBLLGXRECO-NSHDSACASA-N 1 0 377.894 1.279 20 0 GDADRO S=C(NC[C@H]1CC[N@H+](CCN2CCOCC2)C1)Nc1ccc(Cl)nc1 ZINC000727078407 654865538 /nfs/dbraw/zinc/86/55/38/654865538.db2.gz WBPIBXGTTCHCIU-CQSZACIVSA-N 1 0 383.949 1.676 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000751003056 654867670 /nfs/dbraw/zinc/86/76/70/654867670.db2.gz ATZAJZFZZYLJFY-UHFFFAOYSA-N 1 0 375.878 1.674 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000751090925 654872143 /nfs/dbraw/zinc/87/21/43/654872143.db2.gz WGFFCIGAKDQYBK-LLVKDONJSA-N 1 0 375.878 1.674 20 0 GDADRO CCN(C(=O)C(=O)NCCSCc1ccnc(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000828800511 654884427 /nfs/dbraw/zinc/88/44/27/654884427.db2.gz GYYVAAVUALCFSD-CQSZACIVSA-N 1 0 384.933 1.637 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000751451132 654892279 /nfs/dbraw/zinc/89/22/79/654892279.db2.gz QAVIXPQHHAARIF-WDEREUQCSA-N 1 0 375.878 1.625 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000785074437 654905597 /nfs/dbraw/zinc/90/55/97/654905597.db2.gz RKBIJZYHMCWTIK-UHFFFAOYSA-N 1 0 379.404 1.931 20 0 GDADRO CCN1CC[NH+](CCCCNC(=O)c2c(C)nn(C)c2Br)CC1 ZINC000801083717 654908175 /nfs/dbraw/zinc/90/81/75/654908175.db2.gz NFXBJZLATBZOCX-UHFFFAOYSA-N 1 0 386.338 1.639 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000729432141 654909526 /nfs/dbraw/zinc/90/95/26/654909526.db2.gz OYVMHAYPJCLZDU-UHFFFAOYSA-N 1 0 396.289 1.680 20 0 GDADRO CC1(C)CN(C(=S)NCCNS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000729650034 654913684 /nfs/dbraw/zinc/91/36/84/654913684.db2.gz KAZANGANHKLUCT-UHFFFAOYSA-N 1 0 384.571 1.007 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN1CCO[C@@H](C)C1 ZINC000729682894 654914345 /nfs/dbraw/zinc/91/43/45/654914345.db2.gz GXNWMYIDLZIKGK-JSGCOSHPSA-N 1 0 390.937 1.015 20 0 GDADRO C[N@H+](CCN1CCCS1(=O)=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000752082051 654919758 /nfs/dbraw/zinc/91/97/58/654919758.db2.gz DDIFNGSDAMPZTJ-HNNXBMFYSA-N 1 0 375.535 1.601 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)N(C)C1CCOCC1 ZINC000752264188 654924693 /nfs/dbraw/zinc/92/46/93/654924693.db2.gz LABBCZVBERXLDP-UHFFFAOYSA-N 1 0 389.484 1.938 20 0 GDADRO NS(=O)(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C(F)(F)F)c1 ZINC000785798971 654925480 /nfs/dbraw/zinc/92/54/80/654925480.db2.gz ZRMKPHCJOXEIOI-GHMZBOCLSA-N 1 0 379.404 1.628 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801525603 654926928 /nfs/dbraw/zinc/92/69/28/654926928.db2.gz XDNKRXRFINAJIM-QLFBSQMISA-N 1 0 375.535 1.646 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1CCNS(C)(=O)=O ZINC000730569217 654933870 /nfs/dbraw/zinc/93/38/70/654933870.db2.gz RMDVEOFKFPKZET-GJZGRUSLSA-N 1 0 375.535 1.790 20 0 GDADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000830176676 654934423 /nfs/dbraw/zinc/93/44/23/654934423.db2.gz JXKDKTYLUNVFRO-UHFFFAOYSA-N 1 0 394.946 1.754 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802008496 654936475 /nfs/dbraw/zinc/93/64/75/654936475.db2.gz LNBTXDGTJPDBAL-QGZVFWFLSA-N 1 0 375.535 1.649 20 0 GDADRO COC1CC[NH+](C2(CNS(=O)(=O)c3c[nH]nc3Cl)CCCC2)CC1 ZINC000830429260 654944948 /nfs/dbraw/zinc/94/49/48/654944948.db2.gz JMTDYPKZAAVCAV-UHFFFAOYSA-N 1 0 376.910 1.765 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Br)cc2F)C1 ZINC000830461560 654946108 /nfs/dbraw/zinc/94/61/08/654946108.db2.gz FPFPOVSFOXLFJB-CYBMUJFWSA-N 1 0 386.265 1.805 20 0 GDADRO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CSCCS1)[NH+]1CCCCCC1 ZINC000786626639 654946918 /nfs/dbraw/zinc/94/69/18/654946918.db2.gz JJUKQSAPOWBRCA-HOTGVXAUSA-N 1 0 387.615 1.968 20 0 GDADRO Cc1nsc(N2CCN(C(=O)C[C@H]([NH3+])c3cc(C)nc(Cl)c3)CC2)n1 ZINC000830536100 654948584 /nfs/dbraw/zinc/94/85/84/654948584.db2.gz JGURMGNFGPQEHY-ZDUSSCGKSA-N 1 0 380.905 1.942 20 0 GDADRO Cc1nsc(N2CCN(C(=O)C[C@@H]([NH3+])c3cc(C)nc(Cl)c3)CC2)n1 ZINC000830536095 654948741 /nfs/dbraw/zinc/94/87/41/654948741.db2.gz JGURMGNFGPQEHY-CYBMUJFWSA-N 1 0 380.905 1.942 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCSC(F)(F)F)c1ccc(F)cc1 ZINC000787637732 654969308 /nfs/dbraw/zinc/96/93/08/654969308.db2.gz KNAGYBWCUFDPFJ-GFCCVEGCSA-N 1 0 381.395 1.914 20 0 GDADRO C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754312430 654969669 /nfs/dbraw/zinc/96/96/69/654969669.db2.gz JGIGBEANFJLWDK-GJZGRUSLSA-N 1 0 377.551 1.893 20 0 GDADRO NC(=O)CSc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754384567 654971287 /nfs/dbraw/zinc/97/12/87/654971287.db2.gz GVGGTPYGMWTLTP-GFCCVEGCSA-N 1 0 379.507 1.977 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1c(I)cnn1C ZINC000831084413 654971447 /nfs/dbraw/zinc/97/14/47/654971447.db2.gz ZBNWYGRCMFDKFH-LLVKDONJSA-N 1 0 376.242 1.515 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCCCCCC[NH3+] ZINC000831160776 654974603 /nfs/dbraw/zinc/97/46/03/654974603.db2.gz FYADUGYEMTWNBT-UHFFFAOYSA-N 1 0 390.937 1.745 20 0 GDADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O)s1 ZINC000754660723 654976718 /nfs/dbraw/zinc/97/67/18/654976718.db2.gz FQGTXSRTLAGBOL-CQSZACIVSA-N 1 0 375.560 1.883 20 0 GDADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)c2cnsn2)c1 ZINC000803642519 654981213 /nfs/dbraw/zinc/98/12/13/654981213.db2.gz KRHSMQJRRAWAIB-UHFFFAOYSA-N 1 0 383.499 1.411 20 0 GDADRO COc1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cnc1Br ZINC000788136592 654984456 /nfs/dbraw/zinc/98/44/56/654984456.db2.gz WJHZESQMPUGERP-UHFFFAOYSA-N 1 0 397.317 1.706 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CCSC1 ZINC000788251225 654988564 /nfs/dbraw/zinc/98/85/64/654988564.db2.gz JXCBZFQNXOZHPC-YJBOKZPZSA-N 1 0 381.929 1.477 20 0 GDADRO CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)s1 ZINC000804053263 654989041 /nfs/dbraw/zinc/98/90/41/654989041.db2.gz JNOSWDJDRKSSLX-UPJWGTAASA-N 1 0 385.917 1.948 20 0 GDADRO CS(=O)(=O)c1cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Cl ZINC000788307131 654990074 /nfs/dbraw/zinc/99/00/74/654990074.db2.gz IEQYMBZLAFWUPM-QWHCGFSZSA-N 1 0 387.889 1.728 20 0 GDADRO Cc1cc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cnc1Br ZINC000831644539 654990569 /nfs/dbraw/zinc/99/05/69/654990569.db2.gz XWWSIXZJDLXGNQ-NSHDSACASA-N 1 0 384.278 1.736 20 0 GDADRO CCO[C@H](CNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)C[NH+](C)C ZINC000831696167 654992700 /nfs/dbraw/zinc/99/27/00/654992700.db2.gz RMUAPKGUGIJCPK-HIFRSBDPSA-N 1 0 399.285 1.614 20 0 GDADRO CCO[C@H](CNC(=O)CNC(=O)c1ccc(Br)s1)C[NH+](C)C ZINC000831731897 654994777 /nfs/dbraw/zinc/99/47/77/654994777.db2.gz WQPOBGGRQINBOC-SNVBAGLBSA-N 1 0 392.319 1.323 20 0 GDADRO CC(C)Cc1ncnc(N2CCC([NH3+])(CO)CC2)c1I ZINC000804458538 654994974 /nfs/dbraw/zinc/99/49/74/654994974.db2.gz LYKPIHWJAXMWJG-UHFFFAOYSA-N 1 0 390.269 1.570 20 0 GDADRO COCC[NH+](CCOC)C1CCN(C(=O)C(F)(F)c2nccs2)CC1 ZINC000804626801 654997718 /nfs/dbraw/zinc/99/77/18/654997718.db2.gz READWVYGUGGEJB-UHFFFAOYSA-N 1 0 377.457 1.821 20 0 GDADRO O=C(NCc1ccc(Br)cc1F)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788567660 654998477 /nfs/dbraw/zinc/99/84/77/654998477.db2.gz ALDBDXRHJZOJPS-KGLIPLIRSA-N 1 0 398.276 1.947 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@@]3(F)CC[NH2+]C3)C2=O)ccc1Br ZINC000832014350 655005846 /nfs/dbraw/zinc/00/58/46/655005846.db2.gz UDCPLUIMMPIXOX-XJKSGUPXSA-N 1 0 384.249 1.681 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCNC(=O)C(C)C ZINC000756042496 655008549 /nfs/dbraw/zinc/00/85/49/655008549.db2.gz WSKNHBFBPTVQPY-ZDUSSCGKSA-N 1 0 390.937 1.456 20 0 GDADRO Cc1nc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c(Br)n1C ZINC000805065521 655019729 /nfs/dbraw/zinc/01/97/29/655019729.db2.gz WZYXZJPXHWGJMB-LLVKDONJSA-N 1 0 379.324 1.642 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000789552899 655024344 /nfs/dbraw/zinc/02/43/44/655024344.db2.gz GCYAHFWBXIUKEM-CMPLNLGQSA-N 1 0 397.273 1.534 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000789571456 655026350 /nfs/dbraw/zinc/02/63/50/655026350.db2.gz OPTISYYGAYCSMC-UHFFFAOYSA-N 1 0 385.262 1.249 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000789596877 655029182 /nfs/dbraw/zinc/02/91/82/655029182.db2.gz YKRGJFXSWLXAKE-JTQLQIEISA-N 1 0 397.273 1.558 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000832458100 655031843 /nfs/dbraw/zinc/03/18/43/655031843.db2.gz CHKHHKYEXCDOLN-JTQLQIEISA-N 1 0 384.221 1.750 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Br)ncc2Cl)C1 ZINC000832526390 655034249 /nfs/dbraw/zinc/03/42/49/655034249.db2.gz CRUBKZOBNQDIIF-SECBINFHSA-N 1 0 389.681 1.425 20 0 GDADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)cccc21 ZINC000790236635 655043012 /nfs/dbraw/zinc/04/30/12/655043012.db2.gz KYRBTOWIDHTHCQ-DOMZBBRYSA-N 1 0 384.523 1.931 20 0 GDADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)CS[C@H]3CCS(=O)(=O)C3)cccc21 ZINC000790236641 655043073 /nfs/dbraw/zinc/04/30/73/655043073.db2.gz KYRBTOWIDHTHCQ-WFASDCNBSA-N 1 0 384.523 1.931 20 0 GDADRO C[N@H+](C[C@H](O)c1ccccc1Br)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000832680656 655044518 /nfs/dbraw/zinc/04/45/18/655044518.db2.gz VDCFFNRTIHOGLM-DOMZBBRYSA-N 1 0 391.331 1.696 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCC(C)(C)[NH3+] ZINC000832792848 655053403 /nfs/dbraw/zinc/05/34/03/655053403.db2.gz ASFPFKUXVDKIHV-HBIYDYFMSA-N 1 0 385.555 1.552 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCC(C)(C)[NH3+] ZINC000832792849 655053420 /nfs/dbraw/zinc/05/34/20/655053420.db2.gz ASFPFKUXVDKIHV-KUGGDMIFSA-N 1 0 385.555 1.552 20 0 GDADRO C[C@]12CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C[C@H]1C2(Cl)Cl ZINC000790707645 655055242 /nfs/dbraw/zinc/05/52/42/655055242.db2.gz BKUNDVDFEDLIJG-ZENOOKHLSA-N 1 0 391.343 1.799 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(Br)o3)CC2)C1 ZINC000759023638 655075427 /nfs/dbraw/zinc/07/54/27/655075427.db2.gz DGQYNZRRDZGRSG-GFCCVEGCSA-N 1 0 392.319 1.443 20 0 GDADRO Cc1n[nH]c(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1Br ZINC000834727630 655077017 /nfs/dbraw/zinc/07/70/17/655077017.db2.gz QAMZFDWPVTVRMV-MRVPVSSYSA-N 1 0 384.200 1.047 20 0 GDADRO CC1([NH+]2CCC2)CCC(NC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000834768795 655077707 /nfs/dbraw/zinc/07/77/07/655077707.db2.gz YSAZWOZILMSFRZ-ICRTXTNUSA-N 1 0 382.448 1.733 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834783968 655077976 /nfs/dbraw/zinc/07/79/76/655077976.db2.gz PQOWWFKVGHQSTG-ZIAGYGMSSA-N 1 0 378.539 1.196 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000834813559 655079728 /nfs/dbraw/zinc/07/97/28/655079728.db2.gz QCNCBDXUNCVVDI-LLVKDONJSA-N 1 0 377.894 1.122 20 0 GDADRO C[C@@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)[C@H](C)[NH3+] ZINC000834820854 655079915 /nfs/dbraw/zinc/07/99/15/655079915.db2.gz FJUWUKORWLDGJQ-DTWKUNHWSA-N 1 0 390.303 1.355 20 0 GDADRO CC[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834872644 655081929 /nfs/dbraw/zinc/08/19/29/655081929.db2.gz ZYTDUSDTDPTDKQ-CKEIUWERSA-N 1 0 376.519 1.304 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1CCN(C=O)CC1 ZINC000834905851 655082362 /nfs/dbraw/zinc/08/23/62/655082362.db2.gz VDIMNSKLHWQGHA-CYBMUJFWSA-N 1 0 385.302 1.819 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834906973 655082429 /nfs/dbraw/zinc/08/24/29/655082429.db2.gz VJHYHASCYFHUOW-BLLLJJGKSA-N 1 0 390.527 1.224 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)n2)C1 ZINC000835149793 655088507 /nfs/dbraw/zinc/08/85/07/655088507.db2.gz IGHUOJBMJVDBQW-GFCCVEGCSA-N 1 0 383.290 1.891 20 0 GDADRO O=C(CS[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000759624476 655090871 /nfs/dbraw/zinc/09/08/71/655090871.db2.gz ZJGZCNDVXUSWHJ-CVEARBPZSA-N 1 0 390.571 1.010 20 0 GDADRO NC(=O)NC(=O)OCCC[N@H+](CCO)Cc1ccc(Br)s1 ZINC000792484543 655093624 /nfs/dbraw/zinc/09/36/24/655093624.db2.gz GYXHABQBVPTFPT-UHFFFAOYSA-N 1 0 380.264 1.500 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000759773589 655094539 /nfs/dbraw/zinc/09/45/39/655094539.db2.gz DTFRTOYSTPHAHG-UHFFFAOYSA-N 1 0 377.551 1.370 20 0 GDADRO CCn1cc([C@H]2C[S@@](=O)CCN2C(=S)NCC2CC[NH+](C)CC2)cn1 ZINC000792691297 655097493 /nfs/dbraw/zinc/09/74/93/655097493.db2.gz NXBRJXGAGOISIZ-CPJLOUKISA-N 1 0 383.587 1.225 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(Cl)c(Cl)n2C)CC1=O ZINC000808269351 655102585 /nfs/dbraw/zinc/10/25/85/655102585.db2.gz ISEGYRQKZCFPCU-NSHDSACASA-N 1 0 391.299 1.241 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000760235412 655105992 /nfs/dbraw/zinc/10/59/92/655105992.db2.gz FCNYUMZRALBDJZ-UHFFFAOYSA-N 1 0 381.274 1.943 20 0 GDADRO Cn1cnc(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)c1 ZINC000808385664 655108372 /nfs/dbraw/zinc/10/83/72/655108372.db2.gz VDPUDMVRKUIVBS-CYBMUJFWSA-N 1 0 387.221 1.554 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cnn(C)c3Br)CC2)CC1 ZINC000760413573 655111672 /nfs/dbraw/zinc/11/16/72/655111672.db2.gz PQOSQCWJSHWGMF-UHFFFAOYSA-N 1 0 398.349 1.813 20 0 GDADRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000808727078 655113832 /nfs/dbraw/zinc/11/38/32/655113832.db2.gz VVAWVAIRAOSWQL-RRFJBIMHSA-N 1 0 378.535 1.718 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000760589893 655119129 /nfs/dbraw/zinc/11/91/29/655119129.db2.gz GKNPPICGKTZJGY-OLZOCXBDSA-N 1 0 390.937 1.638 20 0 GDADRO COC(=O)c1cn([C@H]2CC[N@H+](C[C@H](O)c3ccccc3Br)C2)nn1 ZINC000760869103 655128745 /nfs/dbraw/zinc/12/87/45/655128745.db2.gz LXCRTTABBKBQEE-NHYWBVRUSA-N 1 0 395.257 1.808 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN1CCCOCC1 ZINC000809750666 655136273 /nfs/dbraw/zinc/13/62/73/655136273.db2.gz CQRBNMRNUWAVSK-AWEZNQCLSA-N 1 0 390.937 1.016 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@]1(C)CC1(Cl)Cl ZINC000836352451 655141102 /nfs/dbraw/zinc/14/11/02/655141102.db2.gz WBGCJDNPJPOKTD-DOMZBBRYSA-N 1 0 379.332 1.812 20 0 GDADRO COCCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000810008085 655146047 /nfs/dbraw/zinc/14/60/47/655146047.db2.gz ZEIPFMVVLHYOKC-IAGOWNOFSA-N 1 0 376.469 1.751 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810034867 655146277 /nfs/dbraw/zinc/14/62/77/655146277.db2.gz YXBZYKBVTMPNIJ-INIZCTEOSA-N 1 0 375.535 1.791 20 0 GDADRO C[N@H+](CCn1cc(Br)cn1)C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000794563516 655147117 /nfs/dbraw/zinc/14/71/17/655147117.db2.gz DKSNUHYKIFNBLK-ZDUSSCGKSA-N 1 0 391.310 1.853 20 0 GDADRO C[NH+](C)CCOCCN1C(=O)CN(Cc2cccc(Br)c2)C1=O ZINC000761650560 655148068 /nfs/dbraw/zinc/14/80/68/655148068.db2.gz VTINSOBAGRESGN-UHFFFAOYSA-N 1 0 384.274 1.792 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](CCO)c1cccs1 ZINC000795126935 655162851 /nfs/dbraw/zinc/16/28/51/655162851.db2.gz UDQBSEARWVEMCF-CQSZACIVSA-N 1 0 386.543 1.525 20 0 GDADRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=S)NC2CC[NH+](C)CC2)s1 ZINC000795170411 655165452 /nfs/dbraw/zinc/16/54/52/655165452.db2.gz WUQVAPICHHIRJF-WDEREUQCSA-N 1 0 384.575 1.622 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cnc(Br)c(OC)c2)CC1 ZINC000837132844 655167214 /nfs/dbraw/zinc/16/72/14/655167214.db2.gz IPIRDGYMPKIVII-UHFFFAOYSA-N 1 0 399.333 1.999 20 0 GDADRO Cn1nnc(Br)c1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000810612299 655167543 /nfs/dbraw/zinc/16/75/43/655167543.db2.gz QGRQFNHBZNEDGP-RYUDHWBXSA-N 1 0 386.294 1.075 20 0 GDADRO Cn1nnc(Br)c1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000810663786 655169612 /nfs/dbraw/zinc/16/96/12/655169612.db2.gz GSLZDXXNCHXHEQ-LLVKDONJSA-N 1 0 394.277 1.365 20 0 GDADRO COCCS(=O)(=O)CCC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000795331086 655171853 /nfs/dbraw/zinc/17/18/53/655171853.db2.gz AFBLVSBNHLTMNE-AWEZNQCLSA-N 1 0 398.294 1.663 20 0 GDADRO CS(=O)(=O)c1csc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)c1 ZINC000810769357 655172899 /nfs/dbraw/zinc/17/28/99/655172899.db2.gz BTQBVHNGUAVSNQ-JTQLQIEISA-N 1 0 382.467 1.350 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837470085 655184844 /nfs/dbraw/zinc/18/48/44/655184844.db2.gz FGEGHVDJLWEMLK-UHFFFAOYSA-N 1 0 399.333 1.947 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1ccc(S(=O)(=O)NCCO)s1 ZINC000837542925 655187262 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1.090 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000796481350 655213365 /nfs/dbraw/zinc/21/33/65/655213365.db2.gz FFUQPYAWLJALMT-CMPLNLGQSA-N 1 0 379.324 1.380 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764544455 655218963 /nfs/dbraw/zinc/21/89/63/655218963.db2.gz JOFHGFRPHHMZAD-SWLSCSKDSA-N 1 0 376.500 1.242 20 0 GDADRO CC(C)(C)OC(=O)N1CCO[C@@H]([C@H]([NH2+]CCCS(C)(=O)=O)C2CC2)C1 ZINC000796750449 655220054 /nfs/dbraw/zinc/22/00/54/655220054.db2.gz YJDJLPMMYUTGJF-HUUCEWRRSA-N 1 0 376.519 1.425 20 0 GDADRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000797063224 655229026 /nfs/dbraw/zinc/22/90/26/655229026.db2.gz ARWGPDCGTNRMNP-TYNCELHUSA-N 1 0 392.568 1.814 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000838931288 655232371 /nfs/dbraw/zinc/23/23/71/655232371.db2.gz BKGXDQHJJMELIJ-UHFFFAOYSA-N 1 0 391.331 1.753 20 0 GDADRO CCCc1nnc(SCC(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)n1N ZINC000813517178 655238218 /nfs/dbraw/zinc/23/82/18/655238218.db2.gz QJBPBGYPZPQYSK-CHWSQXEVSA-N 1 0 384.575 1.075 20 0 GDADRO C[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)OC(C)(C)C ZINC000839090005 655239285 /nfs/dbraw/zinc/23/92/85/655239285.db2.gz NHBROQMJKARIMT-HUUCEWRRSA-N 1 0 375.535 1.505 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c(F)cc1Cl ZINC000813741717 655244910 /nfs/dbraw/zinc/24/49/10/655244910.db2.gz SZJMGGBRNKIOQL-ZANVPECISA-N 1 0 376.837 1.590 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c(F)cc1Cl ZINC000813741714 655244979 /nfs/dbraw/zinc/24/49/79/655244979.db2.gz SZJMGGBRNKIOQL-NOZJJQNGSA-N 1 0 376.837 1.590 20 0 GDADRO C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000797584173 655246469 /nfs/dbraw/zinc/24/64/69/655246469.db2.gz IHYLJDFJPLRMAS-SECBINFHSA-N 1 0 379.276 1.510 20 0 GDADRO C[NH+]1CCC(CCO)(NC(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000813815007 655247246 /nfs/dbraw/zinc/24/72/46/655247246.db2.gz 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Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000814178459 655258150 /nfs/dbraw/zinc/25/81/50/655258150.db2.gz QHYICHQZMUCNCE-YOEHRIQHSA-N 1 0 386.949 1.732 20 0 GDADRO CC[C@H](CCO)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766128800 655259823 /nfs/dbraw/zinc/25/98/23/655259823.db2.gz LNEHTYFRVBNKCB-TZMCWYRMSA-N 1 0 378.516 1.224 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2cc(Cl)ncc2Cl)(N2CCOCC2)CC1 ZINC000839809821 655266163 /nfs/dbraw/zinc/26/61/63/655266163.db2.gz SLKPLOLDWSQIOD-UHFFFAOYSA-N 1 0 387.311 1.915 20 0 GDADRO C[C@]1(C(N)=O)CC[N@H+](CN2CC[C@H](c3cccc(Br)c3)C2=O)C1 ZINC000840060112 655274477 /nfs/dbraw/zinc/27/44/77/655274477.db2.gz LCFYSGXXRRIJFJ-PBHICJAKSA-N 1 0 380.286 1.920 20 0 GDADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000766781884 655275794 /nfs/dbraw/zinc/27/57/94/655275794.db2.gz GRWWADMOJPNAAI-OAHLLOKOSA-N 1 0 375.535 1.170 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000798947786 655281974 /nfs/dbraw/zinc/28/19/74/655281974.db2.gz OIVJZSQNHNCVLF-RHSMWYFYSA-N 1 0 375.535 1.647 20 0 GDADRO C[N@@H+]1CCCN(CCCNC(=O)C(=O)c2ccc(Br)s2)CC1 ZINC000840345211 655285003 /nfs/dbraw/zinc/28/50/03/655285003.db2.gz OYPCYEMOSXQTKB-UHFFFAOYSA-N 1 0 388.331 1.837 20 0 GDADRO CCS(=O)(=O)CCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000840863991 655299899 /nfs/dbraw/zinc/29/98/99/655299899.db2.gz AIQNILKMYUIZNW-UHFFFAOYSA-N 1 0 383.583 1.940 20 0 GDADRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000840888213 655300415 /nfs/dbraw/zinc/30/04/15/655300415.db2.gz CVZMFYLFPIQKJI-RRFJBIMHSA-N 1 0 378.535 1.719 20 0 GDADRO CC[C@@H]([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C(C)(C)O ZINC000815652008 655301210 /nfs/dbraw/zinc/30/12/10/655301210.db2.gz LMUJOBDEFKMYOW-SWLSCSKDSA-N 1 0 392.543 1.612 20 0 GDADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2cccc3scnc32)ccc1=O ZINC000840945297 655305111 /nfs/dbraw/zinc/30/51/11/655305111.db2.gz HXSPSBRYXKYVSO-UHFFFAOYSA-N 1 0 378.479 1.820 20 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391.343 1.860 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCSCc1ccnc(Cl)c1)C1CCCC1 ZINC000842022415 655355494 /nfs/dbraw/zinc/35/54/94/655355494.db2.gz ZCTORIVKOFNUBN-CQSZACIVSA-N 1 0 384.933 1.718 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000842170015 655357753 /nfs/dbraw/zinc/35/77/53/655357753.db2.gz XBIQRDGJRPPSAY-LLVKDONJSA-N 1 0 384.274 1.271 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000842202614 655358163 /nfs/dbraw/zinc/35/81/63/655358163.db2.gz OXHUPYVCQLDGGB-SNVBAGLBSA-N 1 0 388.331 1.899 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000842213617 655359184 /nfs/dbraw/zinc/35/91/84/655359184.db2.gz CSDTZSICVFWZTJ-UHFFFAOYSA-N 1 0 388.281 1.751 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2F)CC[C@@H]1[NH3+] ZINC000842216900 655359358 /nfs/dbraw/zinc/35/93/58/655359358.db2.gz QTOXRUVBIZUMJW-HZMBPMFUSA-N 1 0 386.265 1.443 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)CC[NH3+])c1 ZINC000817860082 655360947 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1.055 20 0 GDADRO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000818117693 655366955 /nfs/dbraw/zinc/36/69/55/655366955.db2.gz ZSYOIYRKZFGSRM-NHYWBVRUSA-N 1 0 384.267 1.973 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000842484815 655367951 /nfs/dbraw/zinc/36/79/51/655367951.db2.gz VNOLYAHMMHVGBS-CQSZACIVSA-N 1 0 388.287 1.065 20 0 GDADRO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000818134951 655368179 /nfs/dbraw/zinc/36/81/79/655368179.db2.gz KLNWGIMRBRZRMC-HZMBPMFUSA-N 1 0 384.267 1.973 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(CONC(=[NH2+])COC[C@@H]2CCCO2)s1 ZINC000842655102 655370583 /nfs/dbraw/zinc/37/05/83/655370583.db2.gz CFAXXQWADHMEAZ-NSHDSACASA-N 1 0 377.488 1.192 20 0 GDADRO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CC[C@H]([NH3+])C3)cc21 ZINC000842699584 655371961 /nfs/dbraw/zinc/37/19/61/655371961.db2.gz BRQLYXQQBIQOBS-NSHDSACASA-N 1 0 388.287 1.080 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NCCC[NH2+]C(C)C)s1 ZINC000842707948 655372508 /nfs/dbraw/zinc/37/25/08/655372508.db2.gz MVKJDCPDBJLJCC-UHFFFAOYSA-N 1 0 399.332 1.964 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818431170 655374615 /nfs/dbraw/zinc/37/46/15/655374615.db2.gz YRJWVCBMLZRYCU-LLVKDONJSA-N 1 0 387.889 1.674 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C(F)F ZINC000842745949 655374941 /nfs/dbraw/zinc/37/49/41/655374941.db2.gz ABXFQOJKSJBDOL-NSHDSACASA-N 1 0 380.438 1.198 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000818579683 655376671 /nfs/dbraw/zinc/37/66/71/655376671.db2.gz NXIWGLKQUUNOJO-SWLSCSKDSA-N 1 0 385.917 1.852 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000818579789 655376678 /nfs/dbraw/zinc/37/66/78/655376678.db2.gz MOYCWRSQTUGAGA-UHFFFAOYSA-N 1 0 383.901 1.774 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC000818594847 655376915 /nfs/dbraw/zinc/37/69/15/655376915.db2.gz ZJKWOMXZXVHAAT-HNNXBMFYSA-N 1 0 375.878 1.333 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(Br)o1 ZINC000842789154 655376984 /nfs/dbraw/zinc/37/69/84/655376984.db2.gz PWGUKJAOAGMBLW-SFYZADRCSA-N 1 0 381.248 1.187 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000842793119 655377583 /nfs/dbraw/zinc/37/75/83/655377583.db2.gz ILQIASMDQYLPHV-UWVGGRQHSA-N 1 0 391.287 1.594 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000842795975 655377680 /nfs/dbraw/zinc/37/76/80/655377680.db2.gz RJOADWKRPUDPRZ-KXKDPZRNSA-N 1 0 385.917 1.960 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC[C@H]1[NH3+] ZINC000842797058 655377755 /nfs/dbraw/zinc/37/77/55/655377755.db2.gz DXDLVRSDTNRSIR-DTWKUNHWSA-N 1 0 386.948 1.553 20 0 GDADRO [NH3+]C[C@H](NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C1CCCC1 ZINC000842804204 655378281 /nfs/dbraw/zinc/37/82/81/655378281.db2.gz LCBXZJYJRRSFTD-ZDUSSCGKSA-N 1 0 379.404 1.983 20 0 GDADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC[NH2+]1 ZINC000842815895 655379011 /nfs/dbraw/zinc/37/90/11/655379011.db2.gz UYKCZBQXTSZXIJ-UWVGGRQHSA-N 1 0 386.417 1.399 20 0 GDADRO C[C@]1(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CCC[NH2+]C1 ZINC000842827810 655380006 /nfs/dbraw/zinc/38/00/06/655380006.db2.gz QJHIEXODJXIHQV-AWEZNQCLSA-N 1 0 382.454 1.351 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000842838559 655380571 /nfs/dbraw/zinc/38/05/71/655380571.db2.gz QEWROZHQQMKAER-NSHDSACASA-N 1 0 379.404 1.937 20 0 GDADRO Cc1ccc(/C=C/S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000842851242 655380993 /nfs/dbraw/zinc/38/09/93/655380993.db2.gz DGWYGKBOBCSTMM-VQCVXAJWSA-N 1 0 377.432 1.721 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c(Br)o1 ZINC000842860720 655381424 /nfs/dbraw/zinc/38/14/24/655381424.db2.gz WRSZBEMOPRKOHU-SECBINFHSA-N 1 0 395.275 1.721 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000842863034 655381535 /nfs/dbraw/zinc/38/15/35/655381535.db2.gz FASBYEQUCCGHNU-HAQNSBGRSA-N 1 0 396.481 1.726 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000842871221 655381806 /nfs/dbraw/zinc/38/18/06/655381806.db2.gz QCHVARFPDUIJIC-IUCAKERBSA-N 1 0 385.230 1.575 20 0 GDADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842871520 655381811 /nfs/dbraw/zinc/38/18/11/655381811.db2.gz SCUSXIRHABVTSB-GFCCVEGCSA-N 1 0 398.428 1.401 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C(F)F ZINC000842877151 655382030 /nfs/dbraw/zinc/38/20/30/655382030.db2.gz VYUDDCVMOVARFG-WDEREUQCSA-N 1 0 380.438 1.055 20 0 GDADRO C[C@@](O)(C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1F ZINC000818947960 655382234 /nfs/dbraw/zinc/38/22/34/655382234.db2.gz VJTXFAWBYMRWCU-QMTHXVAHSA-N 1 0 380.279 1.820 20 0 GDADRO C[C@@](O)(C[NH2+]CCNS(C)(=O)=O)c1ccc(Br)cc1Cl ZINC000818947720 655382247 /nfs/dbraw/zinc/38/22/47/655382247.db2.gz HPJJCWPXAPCZKQ-GFCCVEGCSA-N 1 0 385.711 1.449 20 0 GDADRO CCS(=O)(=O)NCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000818954309 655382419 /nfs/dbraw/zinc/38/24/19/655382419.db2.gz AUFQPKCKUTUYHE-ZDUSSCGKSA-N 1 0 383.283 1.325 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000818976439 655382591 /nfs/dbraw/zinc/38/25/91/655382591.db2.gz FDMBPQSORFGXIH-QGZVFWFLSA-N 1 0 383.491 1.187 20 0 GDADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000842894885 655383331 /nfs/dbraw/zinc/38/33/31/655383331.db2.gz JMMLIJQKTXBQGE-AWEZNQCLSA-N 1 0 386.901 1.919 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCCCCCC[NH3+])c(Br)o1 ZINC000842917785 655384067 /nfs/dbraw/zinc/38/40/67/655384067.db2.gz BBVVJPUXEGVCAM-UHFFFAOYSA-N 1 0 383.264 1.626 20 0 GDADRO Cc1cc(NC(=O)CC[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)no1 ZINC000819063357 655384436 /nfs/dbraw/zinc/38/44/36/655384436.db2.gz LUQXWWRTVYAHKO-UHFFFAOYSA-N 1 0 380.417 1.166 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000819121969 655386605 /nfs/dbraw/zinc/38/66/05/655386605.db2.gz LGAIMDABKXDWDJ-LYRGGWFBSA-N 1 0 393.285 2.000 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819187229 655387936 /nfs/dbraw/zinc/38/79/36/655387936.db2.gz DWVLSDQAXXYSBG-FZMZJTMJSA-N 1 0 377.304 1.354 20 0 GDADRO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000819199367 655388077 /nfs/dbraw/zinc/38/80/77/655388077.db2.gz VUKQAVZAZCGJAA-MPESAESLSA-N 1 0 378.519 1.613 20 0 GDADRO C[C@@](O)(C[NH2+]CCCn1cc(CO)nn1)c1ccc(Br)cc1F ZINC000843094734 655388320 /nfs/dbraw/zinc/38/83/20/655388320.db2.gz LPHDEFUXKSKSNR-OAHLLOKOSA-N 1 0 387.253 1.559 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C[C@H](O)c1c(F)cccc1F)c1cccs1 ZINC000843098545 655388483 /nfs/dbraw/zinc/38/84/83/655388483.db2.gz PHYYXJBAFWEXMO-GWCFXTLKSA-N 1 0 377.434 1.484 20 0 GDADRO CCS(=O)(=O)CC[NH2+]C[C@@H](CO)Cc1cccc(Br)c1C ZINC000843117688 655388994 /nfs/dbraw/zinc/38/89/94/655388994.db2.gz SNSOIWNLJIOLBJ-ZDUSSCGKSA-N 1 0 378.332 1.933 20 0 GDADRO O=S(=O)(NCCC[NH2+]C[C@@H](O)c1ccc(F)cn1)c1ccccc1Cl ZINC000819284843 655389259 /nfs/dbraw/zinc/38/92/59/655389259.db2.gz VBTXATOOOIRXIY-OAHLLOKOSA-N 1 0 387.864 1.866 20 0 GDADRO Brc1cc2c(cc1Cc1noc(C[C@@H]3C[NH2+]CCO3)n1)OCO2 ZINC000843203430 655389590 /nfs/dbraw/zinc/38/95/90/655389590.db2.gz RJSWLYHPOHWNFS-SNVBAGLBSA-N 1 0 382.214 1.683 20 0 GDADRO Brc1cccc(-c2nc(-c3noc(C[C@@H]4C[NH2+]CCO4)n3)n[nH]2)c1 ZINC000843229485 655390010 /nfs/dbraw/zinc/39/00/10/655390010.db2.gz WYIKYTNTJDDIRM-LLVKDONJSA-N 1 0 391.229 1.815 20 0 GDADRO Cn1ncc(CCC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)n1 ZINC000819330818 655390073 /nfs/dbraw/zinc/39/00/73/655390073.db2.gz FKGWOIJCYRYOQJ-UHFFFAOYSA-N 1 0 387.303 1.574 20 0 GDADRO C[C@@](O)(C[NH2+]CCS(=O)(=O)C1CC1)c1ccc(Br)cc1F ZINC000819369619 655390689 /nfs/dbraw/zinc/39/06/89/655390689.db2.gz LYFSISRTPYZCBE-CQSZACIVSA-N 1 0 380.279 1.963 20 0 GDADRO C[C@H](CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)NS(=O)(=O)c1cccnc1Cl ZINC000843324633 655392696 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/nfs/dbraw/zinc/40/15/24/655401524.db2.gz IXUUEIFSZHEVKQ-CYBMUJFWSA-N 1 0 384.322 1.518 20 0 GDADRO CCCN(C(=O)c1ccc(-n2cc(Br)cn2)nn1)[C@@H]1CC[N@H+](C)C1 ZINC000843992131 655404190 /nfs/dbraw/zinc/40/41/90/655404190.db2.gz OVIFYSVYEPVSGH-CYBMUJFWSA-N 1 0 393.289 1.981 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cccnc1SC(F)(F)F ZINC000844037210 655405557 /nfs/dbraw/zinc/40/55/57/655405557.db2.gz SJNUSZOMBNBQBA-JTQLQIEISA-N 1 0 376.404 1.886 20 0 GDADRO CC1(NC(=O)c2cccn3c(I)cnc23)CC[NH2+]CC1 ZINC000844196296 655408499 /nfs/dbraw/zinc/40/84/99/655408499.db2.gz GZFBDDUBUAATMW-UHFFFAOYSA-N 1 0 384.221 1.811 20 0 GDADRO O=S(=O)(/C=C\c1ccc(Br)cc1)NCCCN1CC[NH2+]CC1 ZINC000844226393 655408719 /nfs/dbraw/zinc/40/87/19/655408719.db2.gz GPENDQKNWMBEAW-MLPAPPSSSA-N 1 0 388.331 1.635 20 0 GDADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000820503501 655410892 /nfs/dbraw/zinc/41/08/92/655410892.db2.gz IOESBIVEJQOREY-YUMQZZPRSA-N 1 0 396.332 1.323 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cnn(C)c1I ZINC000844642941 655412186 /nfs/dbraw/zinc/41/21/86/655412186.db2.gz MHYNAERNGAKWQL-OPRDCNLKSA-N 1 0 376.242 1.578 20 0 GDADRO C[NH+](C)CCN1CCN(CN2Cc3c(cccc3Br)C2=O)CC1=O ZINC000844716700 655413918 /nfs/dbraw/zinc/41/39/18/655413918.db2.gz BANTYSGRZIDQED-UHFFFAOYSA-N 1 0 395.301 1.068 20 0 GDADRO COCCS(=O)(=O)CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844889801 655418488 /nfs/dbraw/zinc/41/84/88/655418488.db2.gz QCPYABFXSMUXDU-UHFFFAOYSA-N 1 0 386.539 1.874 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000844945523 655421355 /nfs/dbraw/zinc/42/13/55/655421355.db2.gz LVAUVHPKDRDAJD-RRQGHBQHSA-N 1 0 376.904 1.933 20 0 GDADRO C[C@@]1(CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[C@@]1(F)Cl ZINC000845401113 655428421 /nfs/dbraw/zinc/42/84/21/655428421.db2.gz SEBLFDCQACNCLO-SJORKVTESA-N 1 0 376.904 1.983 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[S@]1=O ZINC000846011856 655444139 /nfs/dbraw/zinc/44/41/39/655444139.db2.gz RHXZKCRTGBUOTI-FPIQFJIESA-N 1 0 375.535 1.201 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[S@](=O)C1 ZINC000846017294 655444664 /nfs/dbraw/zinc/44/46/64/655444664.db2.gz LZGXXSAUKZNHLP-JXQWACKNSA-N 1 0 375.535 1.058 20 0 GDADRO C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC000822465044 655445875 /nfs/dbraw/zinc/44/58/75/655445875.db2.gz YQDZIVMMZAKWQZ-RRFJBIMHSA-N 1 0 375.535 1.788 20 0 GDADRO CC(C)(C)OC(=O)NCC1CCC([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000846036146 655445908 /nfs/dbraw/zinc/44/59/08/655445908.db2.gz XXRZDMIEUXHFEG-YMAMQOFZSA-N 1 0 375.535 1.693 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cn(C)cc(Br)c1=O ZINC000822572476 655447257 /nfs/dbraw/zinc/44/72/57/655447257.db2.gz MNTHKHBEOJCWMB-LLVKDONJSA-N 1 0 387.278 1.380 20 0 GDADRO COc1cc(Br)c(Cc2noc(C[C@H](C[NH3+])OC)n2)cc1OC ZINC000822910675 655453485 /nfs/dbraw/zinc/45/34/85/655453485.db2.gz QEFIZDPIMMMBBF-SNVBAGLBSA-N 1 0 386.246 1.956 20 0 GDADRO COc1cc(/C=C/C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc(Br)c1O ZINC000846512583 655455595 /nfs/dbraw/zinc/45/55/95/655455595.db2.gz ISCFDIHQWDLAJJ-YWVDXFKGSA-N 1 0 397.269 1.454 20 0 GDADRO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](O)c1ccccc1Br ZINC000823472933 655463772 /nfs/dbraw/zinc/46/37/72/655463772.db2.gz DTPCNZQJSMSCTL-OAHLLOKOSA-N 1 0 385.302 1.957 20 0 GDADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000846989016 655464283 /nfs/dbraw/zinc/46/42/83/655464283.db2.gz OWKMUEOKYLOMEJ-JTQLQIEISA-N 1 0 377.869 1.683 20 0 GDADRO Brc1ccc(N2CC[NH+](C3CCOCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823826782 655468598 /nfs/dbraw/zinc/46/85/98/655468598.db2.gz OXECOQKKFVDBLA-UHFFFAOYSA-N 1 0 393.289 1.930 20 0 GDADRO C[C@H]1C[C@H](C[NH2+]CCOCCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823882287 655469162 /nfs/dbraw/zinc/46/91/62/655469162.db2.gz LLNPRTQHYCHWFF-LSDHHAIUSA-N 1 0 378.535 1.673 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847491122 655470332 /nfs/dbraw/zinc/47/03/32/655470332.db2.gz ISAQSNFDOJQYPN-LBPRGKRZSA-N 1 0 387.297 1.987 20 0 GDADRO Cn1nc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1Br ZINC000824056732 655470913 /nfs/dbraw/zinc/47/09/13/655470913.db2.gz AXACUELHOVPWJX-UHFFFAOYSA-N 1 0 393.289 1.259 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nc(Cl)sc2Cl)CC1 ZINC000847587155 655472550 /nfs/dbraw/zinc/47/25/50/655472550.db2.gz WMWXNYJVCPAVRM-VIFPVBQESA-N 1 0 377.297 1.829 20 0 GDADRO O=C(Nc1cccc(Br)n1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847607989 655472981 /nfs/dbraw/zinc/47/29/81/655472981.db2.gz QDUFJENLFJTGNO-NWDGAFQWSA-N 1 0 381.274 1.916 20 0 GDADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000824298366 655473728 /nfs/dbraw/zinc/47/37/28/655473728.db2.gz VBQXEUFEMOFOFM-DMDPSCGWSA-N 1 0 394.269 1.152 20 0 GDADRO C[C@@H](CNc1ccc(Br)cc1-c1nn[nH]n1)[NH+]1CCN(C)CC1 ZINC000824428928 655475185 /nfs/dbraw/zinc/47/51/85/655475185.db2.gz UQCYDXNKHCOCJS-NSHDSACASA-N 1 0 380.294 1.677 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)NCC2(O)CC[NH+](C)CC2)n1 ZINC000824507472 655476441 /nfs/dbraw/zinc/47/64/41/655476441.db2.gz JMTFBRYURLPOJV-UHFFFAOYSA-N 1 0 384.893 1.775 20 0 GDADRO C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824608994 655477949 /nfs/dbraw/zinc/47/79/49/655477949.db2.gz UBZFXVASNOJZME-VBQJREDUSA-N 1 0 376.519 1.304 20 0 GDADRO COCC[NH+]1CCC(OC(=O)c2cc(Br)c(C)n(C)c2=O)CC1 ZINC000847884631 655478470 /nfs/dbraw/zinc/47/84/70/655478470.db2.gz BMSMNKKKPBZFOU-UHFFFAOYSA-N 1 0 387.274 1.724 20 0 GDADRO COCC[NH+]1CCC(OC(=O)c2sccc2S(=O)(=O)N(C)C)CC1 ZINC000847883555 655478473 /nfs/dbraw/zinc/47/84/73/655478473.db2.gz ILHZFUNHPPSVAT-UHFFFAOYSA-N 1 0 376.500 1.266 20 0 GDADRO CC(C)(C)n1ncc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1Br ZINC000824733946 655479620 /nfs/dbraw/zinc/47/96/20/655479620.db2.gz UQYCQPOYRDDAEB-RYUDHWBXSA-N 1 0 385.306 1.994 20 0 GDADRO O=C(c1nc(Cl)sc1Cl)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000848208844 655484678 /nfs/dbraw/zinc/48/46/78/655484678.db2.gz GGCALHPSZLWRSY-VIFPVBQESA-N 1 0 377.297 1.876 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(c2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000825120799 655484671 /nfs/dbraw/zinc/48/46/71/655484671.db2.gz NOVPNNDEUVNORP-LBPRGKRZSA-N 1 0 381.278 1.522 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000825224328 655486310 /nfs/dbraw/zinc/48/63/10/655486310.db2.gz VJGMKNOPQDXNLS-UHFFFAOYSA-N 1 0 380.798 1.846 20 0 GDADRO CC[NH+](CC)CCOC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O ZINC000825255005 655486691 /nfs/dbraw/zinc/48/66/91/655486691.db2.gz HKCXKBCSVXWLSH-SWLSCSKDSA-N 1 0 392.905 1.253 20 0 GDADRO O=C(N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(F)(F)c1ccccc1Br ZINC000848306803 655487075 /nfs/dbraw/zinc/48/70/75/655487075.db2.gz JZXJOBYHKRIDQX-WDEREUQCSA-N 1 0 375.213 1.818 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1F ZINC000848438170 655489971 /nfs/dbraw/zinc/48/99/71/655489971.db2.gz HOOXYBVDNMKCMZ-NSHDSACASA-N 1 0 385.383 1.522 20 0 GDADRO CS[C@@H]1CN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826226619 655497081 /nfs/dbraw/zinc/49/70/81/655497081.db2.gz CUOWCGTXEISUKV-NWDGAFQWSA-N 1 0 381.531 1.234 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)C(F)(F)F ZINC000848595303 655497134 /nfs/dbraw/zinc/49/71/34/655497134.db2.gz LBMHOQBGCCNCKR-KOLCDFICSA-N 1 0 383.754 1.333 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000848635286 655497645 /nfs/dbraw/zinc/49/76/45/655497645.db2.gz YKYVAYZUXSCEML-XBXGTLAGSA-N 1 0 394.313 1.790 20 0 GDADRO Cn1cc(Br)c(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1=O ZINC000826686474 655500163 /nfs/dbraw/zinc/50/01/63/655500163.db2.gz ROSUKGNXULYYHF-UHFFFAOYSA-N 1 0 382.302 2.000 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000826713052 655500462 /nfs/dbraw/zinc/50/04/62/655500462.db2.gz OXULLQUYVHZRRC-NSHDSACASA-N 1 0 391.260 1.892 20 0 GDADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000848937132 655502330 /nfs/dbraw/zinc/50/23/30/655502330.db2.gz LDBVXEDZWQPNGK-RBSFLKMASA-N 1 0 385.599 1.815 20 0 GDADRO C[NH+](C)C1CCN(C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000826911308 655503037 /nfs/dbraw/zinc/50/30/37/655503037.db2.gz VRKRXWROBKENMD-UHFFFAOYSA-N 1 0 390.303 1.263 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000826985698 655504079 /nfs/dbraw/zinc/50/40/79/655504079.db2.gz KXPNBHIJISMIHL-APIJFGDWSA-N 1 0 376.519 1.424 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000827093770 655505612 /nfs/dbraw/zinc/50/56/12/655505612.db2.gz WBFPJILFCQAURQ-NSHDSACASA-N 1 0 378.782 1.823 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000827236738 655508087 /nfs/dbraw/zinc/50/80/87/655508087.db2.gz DZAGKNTUCDVIEX-NSHDSACASA-N 1 0 377.233 1.501 20 0 GDADRO COc1ncc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1Br ZINC000827435079 655511145 /nfs/dbraw/zinc/51/11/45/655511145.db2.gz AJSZFYKCBXDQIP-UHFFFAOYSA-N 1 0 397.317 1.705 20 0 GDADRO CCOCCCNC(=[NH2+])NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000849108181 655517367 /nfs/dbraw/zinc/51/73/67/655517367.db2.gz IBARFNDFZRQNFH-UHFFFAOYSA-N 1 0 380.873 1.298 20 0 GDADRO Cn1cc(I)c(CNC(=[NH2+])NCCc2ccccc2)n1 ZINC000849117195 655517565 /nfs/dbraw/zinc/51/75/65/655517565.db2.gz VTUGOGHSWJXNDS-UHFFFAOYSA-N 1 0 383.237 1.881 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(Cl)c3nonc31)CCO2 ZINC000828257070 655520074 /nfs/dbraw/zinc/52/00/74/655520074.db2.gz PPKDXAMREHOPRZ-UHFFFAOYSA-N 1 0 386.861 1.362 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1 ZINC000849329915 655522024 /nfs/dbraw/zinc/52/20/24/655522024.db2.gz XOJMMSCGDBBVPM-INIZCTEOSA-N 1 0 389.539 1.461 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000849422827 655532569 /nfs/dbraw/zinc/53/25/69/655532569.db2.gz GLGATCRTHVDFRB-NSHDSACASA-N 1 0 383.345 1.939 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cnc1Cl ZINC000849424171 655532854 /nfs/dbraw/zinc/53/28/54/655532854.db2.gz VZPVUDULMZKVFI-LBPRGKRZSA-N 1 0 378.926 1.294 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccncc2Br)cn1 ZINC000849567724 655542376 /nfs/dbraw/zinc/54/23/76/655542376.db2.gz IWXVICLMIOOSNO-QWHCGFSZSA-N 1 0 378.274 1.674 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(Br)nn2C)cn1 ZINC000849595927 655542547 /nfs/dbraw/zinc/54/25/47/655542547.db2.gz MIJPJMNQHBMXSG-RYUDHWBXSA-N 1 0 381.278 1.590 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cc(Br)ccn2)cn1 ZINC000849613463 655542662 /nfs/dbraw/zinc/54/26/62/655542662.db2.gz RMPVBPDZSGQJAC-HZPDHXFCSA-N 1 0 392.301 1.929 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)CC[C@H]2CC2(Cl)Cl)C1 ZINC000849874180 655548152 /nfs/dbraw/zinc/54/81/52/655548152.db2.gz PVLFNIYDPWGITJ-KBPBESRZSA-N 1 0 395.327 1.977 20 0 GDADRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000850341386 655552656 /nfs/dbraw/zinc/55/26/56/655552656.db2.gz JCDVWTDYTKVMKB-OAHLLOKOSA-N 1 0 398.301 1.901 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)n1 ZINC000850375970 655553512 /nfs/dbraw/zinc/55/35/12/655553512.db2.gz PVPVNFGKVMZLOM-SECBINFHSA-N 1 0 382.877 1.346 20 0 GDADRO COC[C@@H](CC1CCOCC1)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000850443681 655555167 /nfs/dbraw/zinc/55/51/67/655555167.db2.gz RTYOAESKYNKTMQ-OAHLLOKOSA-N 1 0 384.489 1.672 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850497159 655556773 /nfs/dbraw/zinc/55/67/73/655556773.db2.gz SRIZGDFPQHFJBS-FPVGNUTFSA-N 1 0 389.237 1.900 20 0 GDADRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850515967 655557078 /nfs/dbraw/zinc/55/70/78/655557078.db2.gz JCRUTETVYOCJSM-STQMWFEESA-N 1 0 390.527 1.224 20 0 GDADRO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000850592689 655559744 /nfs/dbraw/zinc/55/97/44/655559744.db2.gz QZXBEIMPUSQTOT-UHFFFAOYSA-N 1 0 384.401 1.010 20 0 GDADRO C[C@H](CCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1)[NH+](C)C ZINC000850595732 655560117 /nfs/dbraw/zinc/56/01/17/655560117.db2.gz CTLACNFPAHVBMZ-MRVPVSSYSA-N 1 0 377.670 1.892 20 0 GDADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCCC2SCCS2)c1 ZINC000850702439 655565723 /nfs/dbraw/zinc/56/57/23/655565723.db2.gz LNSJWNQSMRGBEE-UHFFFAOYSA-N 1 0 383.539 1.878 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)CCO1 ZINC000850712230 655566438 /nfs/dbraw/zinc/56/64/38/655566438.db2.gz VHBNBEYQWPDXMD-XYPHTWIQSA-N 1 0 377.888 1.377 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850822433 655568885 /nfs/dbraw/zinc/56/88/85/655568885.db2.gz NVNUIRFLHNVCEV-UHFFFAOYSA-N 1 0 384.893 1.769 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850822427 655568896 /nfs/dbraw/zinc/56/88/96/655568896.db2.gz NLFHYIGVJNDZFG-VIFPVBQESA-N 1 0 384.893 1.625 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000851681712 655590485 /nfs/dbraw/zinc/59/04/85/655590485.db2.gz QPEDGDWYGADFAV-VIFPVBQESA-N 1 0 377.308 1.507 20 0 GDADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C(=O)OC)oc2Br)C1 ZINC000851820778 655597005 /nfs/dbraw/zinc/59/70/05/655597005.db2.gz GYNNPTCXVFLRBH-VIFPVBQESA-N 1 0 395.275 1.591 20 0 GDADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000851821720 655597202 /nfs/dbraw/zinc/59/72/02/655597202.db2.gz YQFQXKKTUATTBH-LBPRGKRZSA-N 1 0 379.404 1.950 20 0 GDADRO C[C@@H]([NH2+]CCn1cnc(Br)n1)c1cccc(NS(C)(=O)=O)c1 ZINC000851921622 655603912 /nfs/dbraw/zinc/60/39/12/655603912.db2.gz XGKSUNONABTBEG-SNVBAGLBSA-N 1 0 388.291 1.763 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)=NO1 ZINC000852805394 655623048 /nfs/dbraw/zinc/62/30/48/655623048.db2.gz YIUVSMVSUDULLC-LBPRGKRZSA-N 1 0 378.230 1.736 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)Nc2ccnn2Cc2cccc(Br)c2)=NO1 ZINC000852816367 655623417 /nfs/dbraw/zinc/62/34/17/655623417.db2.gz SDWPAKNSHGWNBC-LBPRGKRZSA-N 1 0 378.230 1.736 20 0 GDADRO CCCS(=O)(=O)Nc1cc(NC(=O)C2=NO[C@H](C[NH3+])C2)c(F)cc1F ZINC000852830014 655623822 /nfs/dbraw/zinc/62/38/22/655623822.db2.gz QPFOPKYDNKBIBY-QMMMGPOBSA-N 1 0 376.385 1.159 20 0 GDADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852853469 655624131 /nfs/dbraw/zinc/62/41/31/655624131.db2.gz GOVCGBUVZAFKPQ-GXTWGEPZSA-N 1 0 388.251 1.687 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)c1cnn(-c2ccccc2)c1I ZINC000852881556 655625064 /nfs/dbraw/zinc/62/50/64/655625064.db2.gz MMXXYZMXWHKDCK-JTQLQIEISA-N 1 0 384.221 1.944 20 0 GDADRO C[C@@]1(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC[NH2+]C1 ZINC000852929041 655628640 /nfs/dbraw/zinc/62/86/40/655628640.db2.gz XDYWFWWNMGAADU-QGZVFWFLSA-N 1 0 385.917 1.996 20 0 GDADRO C[NH+](C)CCNC(=S)NCCc1ccc(I)cc1 ZINC000853032320 655630246 /nfs/dbraw/zinc/63/02/46/655630246.db2.gz GCIMERZHABMTSH-UHFFFAOYSA-N 1 0 377.295 1.859 20 0 GDADRO CN1CC[C@@H](C(=O)O[C@H](C[NH+](C)C)c2cc(F)c(F)c(F)c2)S1(=O)=O ZINC000853216126 655636759 /nfs/dbraw/zinc/63/67/59/655636759.db2.gz YPCHFTAHLMBUGP-OLZOCXBDSA-N 1 0 380.388 1.284 20 0 GDADRO CN(CC1C[NH+](C)C1)Cn1nc(-c2cccs2)n(CCC(N)=O)c1=S ZINC000853552553 655642425 /nfs/dbraw/zinc/64/24/25/655642425.db2.gz AIXQRIMFZNYBPA-UHFFFAOYSA-N 1 0 380.543 1.469 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(Cn2nc(N3CCOCC3)sc2=S)CCO1 ZINC000853625819 655645854 /nfs/dbraw/zinc/64/58/54/655645854.db2.gz ZBULWKDKCUSDHT-AWEZNQCLSA-N 1 0 387.575 1.511 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000854278482 655660023 /nfs/dbraw/zinc/66/00/23/655660023.db2.gz WNSXQNBQQIOVIJ-UHFFFAOYSA-N 1 0 391.260 1.893 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000854296608 655660311 /nfs/dbraw/zinc/66/03/11/655660311.db2.gz KNWVVNQIDULPCQ-UHFFFAOYSA-N 1 0 391.260 1.845 20 0 GDADRO CCN1CCN(C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000854420347 655666320 /nfs/dbraw/zinc/66/63/20/655666320.db2.gz BDKKSMQNNXGRRJ-SNVBAGLBSA-N 1 0 390.303 1.263 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1c(Br)nc2n1CCCC2 ZINC000854641355 655673170 /nfs/dbraw/zinc/67/31/70/655673170.db2.gz BQVHYCAHXLTOQS-OLZOCXBDSA-N 1 0 397.317 1.917 20 0 GDADRO COc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)cnc1Br ZINC000854641905 655673192 /nfs/dbraw/zinc/67/31/92/655673192.db2.gz HICPAJNCBYPLTE-QWHCGFSZSA-N 1 0 384.274 1.788 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1csc(I)n1 ZINC000854743951 655675764 /nfs/dbraw/zinc/67/57/64/655675764.db2.gz RHEBTEVWWDLXNU-SECBINFHSA-N 1 0 395.266 1.324 20 0 GDADRO Cc1n[nH]c(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1Br ZINC000855401850 655693098 /nfs/dbraw/zinc/69/30/98/655693098.db2.gz BLDBWGDYQKNASW-AWEZNQCLSA-N 1 0 393.285 1.977 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000856840923 655720288 /nfs/dbraw/zinc/72/02/88/655720288.db2.gz XAYUYSZIRSXTDO-OLZOCXBDSA-N 1 0 379.332 1.812 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Br)cnc1Cl)C2 ZINC000857233838 655731556 /nfs/dbraw/zinc/73/15/56/655731556.db2.gz GIQYNYDBSSAOAY-UFBFGSQYSA-N 1 0 380.695 1.999 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1Cl ZINC000857235674 655731697 /nfs/dbraw/zinc/73/16/97/655731697.db2.gz BWKGGKVLOXTLLO-HZMBPMFUSA-N 1 0 378.903 1.245 20 0 GDADRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000857256360 655732378 /nfs/dbraw/zinc/73/23/78/655732378.db2.gz IZPIZFJCDOXKKX-NWDGAFQWSA-N 1 0 399.289 1.111 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1nc(Br)cs1 ZINC000857766918 655741329 /nfs/dbraw/zinc/74/13/29/655741329.db2.gz YEWTXRVFMOCTOC-VIFPVBQESA-N 1 0 375.292 1.365 20 0 GDADRO Cn1cc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)c(Br)n1 ZINC000858124083 655744645 /nfs/dbraw/zinc/74/46/45/655744645.db2.gz FZZGBAQESVGYGQ-UHFFFAOYSA-N 1 0 394.317 1.764 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN(C)CC(F)F ZINC000858337009 655747387 /nfs/dbraw/zinc/74/73/87/655747387.db2.gz XGHWECMUYQUSED-NSHDSACASA-N 1 0 384.880 1.491 20 0 GDADRO C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000858572456 655749440 /nfs/dbraw/zinc/74/94/40/655749440.db2.gz TZNUMOYBAKYLBJ-ZDUSSCGKSA-N 1 0 378.539 1.150 20 0 GDADRO C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[NH2+]1 ZINC000858631829 655751507 /nfs/dbraw/zinc/75/15/07/655751507.db2.gz IRIGDUZOVRXCKO-UWVGGRQHSA-N 1 0 386.417 1.399 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N(C)C[C@H](C)[NH3+])cc1Br ZINC000858640322 655751821 /nfs/dbraw/zinc/75/18/21/655751821.db2.gz LXMRMFQDTWUWIT-VIFPVBQESA-N 1 0 378.292 1.684 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c(Br)cc1F ZINC000858643025 655751933 /nfs/dbraw/zinc/75/19/33/655751933.db2.gz TZTJJDGUNGSPOT-WRWORJQWSA-N 1 0 395.250 1.404 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000858938553 655756607 /nfs/dbraw/zinc/75/66/07/655756607.db2.gz GUOCLYKIJONHAJ-SNVBAGLBSA-N 1 0 379.404 1.948 20 0 GDADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858943774 655756960 /nfs/dbraw/zinc/75/69/60/655756960.db2.gz VGHROAHUJJQLMP-UHFFFAOYSA-N 1 0 379.404 1.904 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc(Br)cnc2F)C1 ZINC000859099612 655763247 /nfs/dbraw/zinc/76/32/47/655763247.db2.gz STPCYEJKDWBGDH-JTQLQIEISA-N 1 0 387.253 1.300 20 0 GDADRO C[C@H](C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F)CS(C)(=O)=O ZINC000860049145 655794084 /nfs/dbraw/zinc/79/40/84/655794084.db2.gz AVQVMLUHJCVHFE-HTOAHKCRSA-N 1 0 382.448 1.398 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1COC(=O)CCNS(=O)(=O)c1cccs1 ZINC000861035158 655812679 /nfs/dbraw/zinc/81/26/79/655812679.db2.gz UVWYJNWZSLXXOJ-ZDUSSCGKSA-N 1 0 376.500 1.071 20 0 GDADRO CO[C@H]1CN(C)[C@](C)(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000861340194 655819620 /nfs/dbraw/zinc/81/96/20/655819620.db2.gz GBPXGPBFPAWRHR-WBMJQRKESA-N 1 0 377.409 1.949 20 0 GDADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000861351185 655819861 /nfs/dbraw/zinc/81/98/61/655819861.db2.gz SPSMRJJZLRZJBJ-IUODEOHRSA-N 1 0 376.500 1.069 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OC[C@@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC000861348308 655819954 /nfs/dbraw/zinc/81/99/54/655819954.db2.gz TWAYSRUBEQCNAF-BFYDXBDKSA-N 1 0 376.519 1.233 20 0 GDADRO O=C(OCC[NH+]1CCC1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000861387956 655820766 /nfs/dbraw/zinc/82/07/66/655820766.db2.gz PCPRWGMICHZHHT-UHFFFAOYSA-N 1 0 387.889 1.385 20 0 GDADRO O=C(CCN1C(=O)COc2cc(Br)ccc21)OCC[NH+]1CCC1 ZINC000861385444 655820769 /nfs/dbraw/zinc/82/07/69/655820769.db2.gz QSWBSOPKMXFPOT-UHFFFAOYSA-N 1 0 383.242 1.814 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000861531793 655824820 /nfs/dbraw/zinc/82/48/20/655824820.db2.gz NUXWDQDKKPCDGG-IYBDPMFKSA-N 1 0 381.274 1.549 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000861613705 655826541 /nfs/dbraw/zinc/82/65/41/655826541.db2.gz MOHZRRPFWBDVKL-GFCCVEGCSA-N 1 0 385.306 1.774 20 0 GDADRO O=C(c1csc(I)n1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861718164 655829030 /nfs/dbraw/zinc/82/90/30/655829030.db2.gz WKJYCSAQRMAINY-DTWKUNHWSA-N 1 0 393.250 1.029 20 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ZINC000863831558 655882836 /nfs/dbraw/zinc/88/28/36/655882836.db2.gz KPTUCYXQUJYQRG-AWEZNQCLSA-N 1 0 393.285 1.740 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000864058740 655888202 /nfs/dbraw/zinc/88/82/02/655888202.db2.gz XDMNSCQVSVEPRO-DTWKUNHWSA-N 1 0 398.227 1.851 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cn2nc(Br)c(Br)n2)C1 ZINC000864065208 655888685 /nfs/dbraw/zinc/88/86/85/655888685.db2.gz KNTAQBRVJCXNTK-OCAPTIKFSA-N 1 0 395.099 1.260 20 0 GDADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2c(Br)nc3n2CCOC3)C12CCC2 ZINC000864070005 655889269 /nfs/dbraw/zinc/88/92/69/655889269.db2.gz KZPUHKDWZIYNIT-GHMZBOCLSA-N 1 0 383.290 1.778 20 0 GDADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3c(Br)nc4n3CCOC4)C[C@]2(C)C1 ZINC000864078570 655889611 /nfs/dbraw/zinc/88/96/11/655889611.db2.gz XRUAYBOZIIPRTG-HOTGVXAUSA-N 1 0 383.290 1.590 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2cncc(Br)c2n1 ZINC000865057268 655910991 /nfs/dbraw/zinc/91/09/91/655910991.db2.gz CGGANEKCHHPLRA-QWHCGFSZSA-N 1 0 391.269 1.985 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1n[nH]cc1Br ZINC000865173417 655913789 /nfs/dbraw/zinc/91/37/89/655913789.db2.gz SBDOOFUCIJSNNC-NSHDSACASA-N 1 0 390.282 1.243 20 0 GDADRO Cn1cc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)c(Br)n1 ZINC000865213062 655914756 /nfs/dbraw/zinc/91/47/56/655914756.db2.gz RBILLTZKCLGRNK-SNVBAGLBSA-N 1 0 385.287 1.509 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CC(C)(C)NS(C)(=O)=O)CC(F)(F)F ZINC000865455457 655920140 /nfs/dbraw/zinc/92/01/40/655920140.db2.gz IBRTWCKVTMNQFT-SNVBAGLBSA-N 1 0 391.456 1.750 20 0 GDADRO Brc1cnn(CCCC[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)c1 ZINC000865548018 655921615 /nfs/dbraw/zinc/92/16/15/655921615.db2.gz SESKFARMSWUUDF-HNNXBMFYSA-N 1 0 383.294 1.986 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000866489996 655946653 /nfs/dbraw/zinc/94/66/53/655946653.db2.gz DOQWWJKCFUJVAE-UHFFFAOYSA-N 1 0 375.535 1.647 20 0 GDADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000866527367 655948297 /nfs/dbraw/zinc/94/82/97/655948297.db2.gz YRMDQEFFLHXVSM-UHFFFAOYSA-N 1 0 375.516 1.223 20 0 GDADRO COc1ccc([C@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c(Br)c1 ZINC000866553818 655949187 /nfs/dbraw/zinc/94/91/87/655949187.db2.gz OCZRHIANZVZRRF-YVEFUNNKSA-N 1 0 399.285 1.736 20 0 GDADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cn(C)nc2Br)C1 ZINC000866581523 655950390 /nfs/dbraw/zinc/95/03/90/655950390.db2.gz APVIPDRMOITTJI-LLVKDONJSA-N 1 0 393.351 1.971 20 0 GDADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cnn(C)c2Br)C1 ZINC000866581805 655950582 /nfs/dbraw/zinc/95/05/82/655950582.db2.gz CUTNZYSBPCJXRC-LLVKDONJSA-N 1 0 393.351 1.971 20 0 GDADRO O=S(=O)(c1ccc(F)nc1F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000866676448 655953348 /nfs/dbraw/zinc/95/33/48/655953348.db2.gz ZXTSZWWWRDJVEZ-UHFFFAOYSA-N 1 0 375.441 1.483 20 0 GDADRO Cn1ncc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)c1Br ZINC000866734883 655957479 /nfs/dbraw/zinc/95/74/79/655957479.db2.gz IFHMAXLBYZIRLW-UHFFFAOYSA-N 1 0 388.291 1.036 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cnn(C)c1Br ZINC000866740385 655957951 /nfs/dbraw/zinc/95/79/51/655957951.db2.gz MYGBNYSUAPBNGJ-UHFFFAOYSA-N 1 0 397.339 1.162 20 0 GDADRO C[C@@]1(CS(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1(Cl)Cl ZINC000866758533 655959506 /nfs/dbraw/zinc/95/95/06/655959506.db2.gz UVEKBRYBLVSRGN-AAEUAGOBSA-N 1 0 386.345 1.220 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000866761471 655959877 /nfs/dbraw/zinc/95/98/77/655959877.db2.gz WHROTCGRSILAHP-MFKMUULPSA-N 1 0 377.304 1.875 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000866767211 655960831 /nfs/dbraw/zinc/96/08/31/655960831.db2.gz MNQUBFYOFWCEPU-UHFFFAOYSA-N 1 0 377.532 1.816 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000866776821 655962145 /nfs/dbraw/zinc/96/21/45/655962145.db2.gz LQMQPOLWJMBCGJ-WDEREUQCSA-N 1 0 388.253 1.581 20 0 GDADRO Cn1ncc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1Br ZINC000866778902 655962660 /nfs/dbraw/zinc/96/26/60/655962660.db2.gz FNJIJIBGCOZDFN-NWDGAFQWSA-N 1 0 385.287 1.217 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)s1 ZINC000866784483 655963273 /nfs/dbraw/zinc/96/32/73/655963273.db2.gz ALSSPJPYVUYUQA-JTQLQIEISA-N 1 0 376.500 1.600 20 0 GDADRO C[C@@H]([NH2+]C1(CNS(=O)(=O)N=S(C)(C)=O)CCOCC1)c1ccccc1 ZINC000866785244 655963413 /nfs/dbraw/zinc/96/34/13/655963413.db2.gz UMCCBTDFJHIXCR-CQSZACIVSA-N 1 0 389.543 1.448 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000866795501 655964517 /nfs/dbraw/zinc/96/45/17/655964517.db2.gz ZKTPENZEPRFXSO-CQSZACIVSA-N 1 0 375.535 1.457 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc(F)c1F ZINC000866796824 655964734 /nfs/dbraw/zinc/96/47/34/655964734.db2.gz LBSHPVXFXLZXGI-SNVBAGLBSA-N 1 0 376.425 1.808 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000866817391 655966696 /nfs/dbraw/zinc/96/66/96/655966696.db2.gz UMNGEJUHMIIJCL-KFWWJZLASA-N 1 0 385.873 1.037 20 0 GDADRO COCCC1(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC[NH2+]CC1 ZINC000866821148 655967038 /nfs/dbraw/zinc/96/70/38/655967038.db2.gz SGVQGHSDKWUEEQ-UHFFFAOYSA-N 1 0 390.889 1.548 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)c(Cl)cc21 ZINC000866824878 655967297 /nfs/dbraw/zinc/96/72/97/655967297.db2.gz VHYQZQZKTXNVBH-GJZGRUSLSA-N 1 0 383.901 1.764 20 0 GDADRO COCCC1(NS(=O)(=O)Cc2ncsc2Br)CC[NH2+]CC1 ZINC000866825944 655967431 /nfs/dbraw/zinc/96/74/31/655967431.db2.gz RFCNUHACPLAEIA-UHFFFAOYSA-N 1 0 398.348 1.484 20 0 GDADRO COCCC1(NS(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC[NH2+]CC1 ZINC000866825244 655967445 /nfs/dbraw/zinc/96/74/45/655967445.db2.gz KEZJHBLKKPNDBK-UHFFFAOYSA-N 1 0 392.905 1.794 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866827962 655967689 /nfs/dbraw/zinc/96/76/89/655967689.db2.gz UGCSVRQBLZJTKQ-KGLIPLIRSA-N 1 0 392.930 1.400 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cc2nc(Cl)ncc2s1)N1CC[NH+](C)CC1 ZINC000866857362 655970818 /nfs/dbraw/zinc/97/08/18/655970818.db2.gz FQYCVHRRPFULPI-JTQLQIEISA-N 1 0 389.934 1.259 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000866880935 655972972 /nfs/dbraw/zinc/97/29/72/655972972.db2.gz VRGDIRNIYBXPAS-LLVKDONJSA-N 1 0 377.308 1.669 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866902564 655975413 /nfs/dbraw/zinc/97/54/13/655975413.db2.gz DZBBVYHOKCHORB-NSHDSACASA-N 1 0 377.308 1.525 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CCCC[NH+](C)C)c(OC)cc1F ZINC000866917717 655976834 /nfs/dbraw/zinc/97/68/34/655976834.db2.gz FVGYCWYBYADAPO-UHFFFAOYSA-N 1 0 376.450 1.583 20 0 GDADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000866920632 655977379 /nfs/dbraw/zinc/97/73/79/655977379.db2.gz UTSRGBFFSIKLIJ-UHFFFAOYSA-N 1 0 395.323 1.294 20 0 GDADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)nc1F ZINC000866982361 655983919 /nfs/dbraw/zinc/98/39/19/655983919.db2.gz ORGJGFPPLYNCPJ-OLZOCXBDSA-N 1 0 391.896 1.920 20 0 GDADRO C[C@@H](C[C@H](O)c1cccs1)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000867000665 655985797 /nfs/dbraw/zinc/98/57/97/655985797.db2.gz LHXZGHOAIMZVLR-GJZGRUSLSA-N 1 0 375.560 1.117 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000867018046 655987753 /nfs/dbraw/zinc/98/77/53/655987753.db2.gz UOEBXJFMWDOCNY-GJZGRUSLSA-N 1 0 377.551 1.893 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000867032684 655989521 /nfs/dbraw/zinc/98/95/21/655989521.db2.gz UOTZXDAXXYTFQL-CHWSQXEVSA-N 1 0 390.912 1.521 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000867116909 655997686 /nfs/dbraw/zinc/99/76/86/655997686.db2.gz HKFVONGKLYWPPB-HNNXBMFYSA-N 1 0 375.535 1.646 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000867121119 655998345 /nfs/dbraw/zinc/99/83/45/655998345.db2.gz LBUGQHBKUMUGDS-GFCCVEGCSA-N 1 0 386.905 1.786 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(-c3nncs3)cc2)CC1 ZINC000867216032 656015090 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CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cccc(Br)n1 ZINC000872504204 656343565 /nfs/dbraw/zinc/34/35/65/656343565.db2.gz APYLEVKCEQLHIC-UHFFFAOYSA-N 1 0 379.324 1.006 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000872571423 656359428 /nfs/dbraw/zinc/35/94/28/656359428.db2.gz STGAJFZGSKERFX-ZXFUBFMLSA-N 1 0 386.539 1.382 20 0 GDADRO O=S(=O)(c1csnc1-c1ccccc1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872616365 656366447 /nfs/dbraw/zinc/36/64/47/656366447.db2.gz CIXUROAXODCTSV-LSDHHAIUSA-N 1 0 379.507 1.640 20 0 GDADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000872664912 656371793 /nfs/dbraw/zinc/37/17/93/656371793.db2.gz VQVNSMYFMCWFDJ-OLZOCXBDSA-N 1 0 379.404 1.880 20 0 GDADRO O[C@H](CNCc1cccc(F)c1I)C[NH+]1CCCC1 ZINC000873019978 656384233 /nfs/dbraw/zinc/38/42/33/656384233.db2.gz AJTBWDATAPSSDL-GFCCVEGCSA-N 1 0 378.229 1.977 20 0 GDADRO CCOC(=O)Cc1csc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)n1 ZINC000873299383 656390117 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CC[C@H](Sc1nc(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cs1)C(N)=O ZINC000878653321 656739998 /nfs/dbraw/zinc/73/99/98/656739998.db2.gz DYNVNWRDVFBWTM-KGLIPLIRSA-N 1 0 382.555 1.738 20 0 GDADRO O=C(Nc1ccc(I)cc1F)N1CCNCC[NH2+]CC1 ZINC000926174193 656740242 /nfs/dbraw/zinc/74/02/42/656740242.db2.gz QKDUPPNUGLFMDR-UHFFFAOYSA-N 1 0 392.216 1.457 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1c(Br)cnn1C)C2 ZINC000926201101 656740935 /nfs/dbraw/zinc/74/09/35/656740935.db2.gz VVAKCBNISWFNTG-WNOSKKOXSA-N 1 0 399.333 1.321 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cs1)C(N)=O ZINC000878736485 656745128 /nfs/dbraw/zinc/74/51/28/656745128.db2.gz FGBFAQIINJEAEF-OCCSQVGLSA-N 1 0 382.555 1.738 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2csc(Br)c2)CC[C@H]1C[NH3+] ZINC000926313983 656747278 /nfs/dbraw/zinc/74/72/78/656747278.db2.gz ICYPCADFXKNTNL-PWSUYJOCSA-N 1 0 388.331 1.912 20 0 GDADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000926326584 656747879 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Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926878526 656781389 /nfs/dbraw/zinc/78/13/89/656781389.db2.gz KXTYGFXNTCUJAM-LBPRGKRZSA-N 1 0 382.452 1.860 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cc(Br)nn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000879642596 656814272 /nfs/dbraw/zinc/81/42/72/656814272.db2.gz VMOSGDHTXUSCDX-QWHCGFSZSA-N 1 0 399.337 1.672 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879693010 656819967 /nfs/dbraw/zinc/81/99/67/656819967.db2.gz VOJKARCNDCEEAN-AEGPPILISA-N 1 0 385.302 1.329 20 0 GDADRO Cc1cc(N2CCC[C@@H]([N@@H+]3C[C@H](CO)[C@H](CO)C3)C2=O)ccc1Br ZINC000879695681 656820460 /nfs/dbraw/zinc/82/04/60/656820460.db2.gz MMYKTAKUMLMVQG-JKIFEVAISA-N 1 0 397.313 1.786 20 0 GDADRO CCCCN(C(=O)C[NH2+]C(C)(C)C(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000879697082 656820489 /nfs/dbraw/zinc/82/04/89/656820489.db2.gz TZGXFNZLDFRDEA-HNNXBMFYSA-N 1 0 376.563 1.722 20 0 GDADRO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC000879700776 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657371548 /nfs/dbraw/zinc/37/15/48/657371548.db2.gz XUDPPNVNOIJULC-ZJUUUORDSA-N 1 0 378.782 1.756 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000934741101 657372981 /nfs/dbraw/zinc/37/29/81/657372981.db2.gz MMCWWKYYKMDHIO-QGZVFWFLSA-N 1 0 375.535 1.791 20 0 GDADRO O=C(NCc1ncc(Br)s1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000884716046 657374842 /nfs/dbraw/zinc/37/48/42/657374842.db2.gz KZYJDFZKHGYARS-UHFFFAOYSA-N 1 0 395.282 1.441 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000884724288 657376005 /nfs/dbraw/zinc/37/60/05/657376005.db2.gz OPTJKODCCOVXEN-DFBGVHRSSA-N 1 0 398.301 1.496 20 0 GDADRO O=C(c1cc(=O)[nH]cc1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000934783629 657376893 /nfs/dbraw/zinc/37/68/93/657376893.db2.gz FTAIRAWIYVOWRJ-LBPRGKRZSA-N 1 0 384.274 1.877 20 0 GDADRO Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cnc1Br ZINC000934895694 657385317 /nfs/dbraw/zinc/38/53/17/657385317.db2.gz NSZHKHQKTLXEBN-AWEZNQCLSA-N 1 0 395.301 1.531 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC1 ZINC000884911319 657386312 /nfs/dbraw/zinc/38/63/12/657386312.db2.gz MOJKJFJHIZZNBG-YGUOUDRMSA-N 1 0 394.313 1.968 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C1(n2cc(Br)cn2)CC1 ZINC000934951798 657387602 /nfs/dbraw/zinc/38/76/02/657387602.db2.gz HNSZTFRPFHOMNB-AWEZNQCLSA-N 1 0 385.306 1.488 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)s1 ZINC000884954797 657389960 /nfs/dbraw/zinc/38/99/60/657389960.db2.gz KCQVGUICEPLMNM-ZJUUUORDSA-N 1 0 398.959 1.710 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884957272 657390229 /nfs/dbraw/zinc/39/02/29/657390229.db2.gz NKJZZDXVMZLFTO-STQMWFEESA-N 1 0 388.511 1.004 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCSCCC(F)(F)F)C[C@H]1C(F)(F)F ZINC000884990788 657397422 /nfs/dbraw/zinc/39/74/22/657397422.db2.gz LRXKDDHMBKAFMS-DTWKUNHWSA-N 1 0 395.369 1.384 20 0 GDADRO O=C(NCc1ccc(Br)cc1F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885012941 657402297 /nfs/dbraw/zinc/40/22/97/657402297.db2.gz UNHXEHWNWMCVMD-ZOZIMZAQSA-N 1 0 398.276 1.851 20 0 GDADRO CCCN(C(=O)C(=O)NCc1ccc(Br)cn1)C1CC[NH2+]CC1 ZINC000885023770 657407296 /nfs/dbraw/zinc/40/72/96/657407296.db2.gz HPWJWASPVKERDO-UHFFFAOYSA-N 1 0 383.290 1.451 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ncc(Br)s3)C[C@H]21 ZINC000885032564 657410882 /nfs/dbraw/zinc/41/08/82/657410882.db2.gz YZWPIPKPRKKJCU-OPRDCNLKSA-N 1 0 387.303 1.108 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)NC2(CCO)CC[NH+](C)CC2)n1 ZINC000935270376 657418899 /nfs/dbraw/zinc/41/88/99/657418899.db2.gz VJXLLYQWTNPRSE-UHFFFAOYSA-N 1 0 385.306 1.939 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000885101531 657419441 /nfs/dbraw/zinc/41/94/41/657419441.db2.gz AGNHEHODIXXJAX-CYBMUJFWSA-N 1 0 394.313 1.794 20 0 GDADRO CN(C(=O)C(=O)NCCc1sccc1Br)C1CCC([NH3+])CC1 ZINC000885210135 657429149 /nfs/dbraw/zinc/42/91/49/657429149.db2.gz KBVWDYAUBMCTCV-UHFFFAOYSA-N 1 0 388.331 1.898 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000935431303 657433042 /nfs/dbraw/zinc/43/30/42/657433042.db2.gz NMZQKKWBXLILSD-UHFFFAOYSA-N 1 0 395.301 1.738 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc3c(Br)cnn3c2)C1 ZINC000935680276 657466379 /nfs/dbraw/zinc/46/63/79/657466379.db2.gz ORLQPWPNCFUGAZ-INIZCTEOSA-N 1 0 381.274 1.626 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccccc2[S@](=O)C(F)(F)F)C1 ZINC000935680342 657466508 /nfs/dbraw/zinc/46/65/08/657466508.db2.gz PPJSHRXWLSETKZ-MQNRADLISA-N 1 0 378.416 1.843 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(=O)n(C)cc1Br ZINC000936009220 657540180 /nfs/dbraw/zinc/54/01/80/657540180.db2.gz GPCZEBPSHWGBFQ-UHFFFAOYSA-N 1 0 387.322 1.103 20 0 GDADRO CSC1(CNC(=O)c2cc(=O)n(C)cc2Br)CC[NH+](C)CC1 ZINC000936041792 657543815 /nfs/dbraw/zinc/54/38/15/657543815.db2.gz HDFOQZNTMGGKMM-UHFFFAOYSA-N 1 0 388.331 1.705 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2scnc2Cl)C3)C1 ZINC000996597667 657628906 /nfs/dbraw/zinc/62/89/06/657628906.db2.gz YOCQSUSJPUNUFM-RNJOBUHISA-N 1 0 382.917 2.000 20 0 GDADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886251352 657630435 /nfs/dbraw/zinc/63/04/35/657630435.db2.gz ATDQSEUNHKGNSM-GUDFOSOFSA-N 1 0 380.080 1.768 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncc(Cl)s1)C12CC[NH+](CC1)C2 ZINC000998661107 657654063 /nfs/dbraw/zinc/65/40/63/657654063.db2.gz ZKQJOQHSOCAUNX-WOPDTQHZSA-N 1 0 380.901 1.754 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])cc1Br ZINC000886883607 657716033 /nfs/dbraw/zinc/71/60/33/657716033.db2.gz HOFSQRUFCRUGLI-LLVKDONJSA-N 1 0 393.303 1.586 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)cc1Br ZINC000886882656 657716064 /nfs/dbraw/zinc/71/60/64/657716064.db2.gz ZTBOCWRGJICOLK-SNVBAGLBSA-N 1 0 379.276 1.115 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1Br ZINC000886886405 657717395 /nfs/dbraw/zinc/71/73/95/657717395.db2.gz GSBCLLBQQJGSSY-ZJUUUORDSA-N 1 0 381.292 1.488 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1 ZINC000886891951 657720444 /nfs/dbraw/zinc/72/04/44/657720444.db2.gz LVQCKMKGALCXTJ-JTQLQIEISA-N 1 0 380.388 1.865 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000886891744 657720463 /nfs/dbraw/zinc/72/04/63/657720463.db2.gz FQSWNXPDXPXIGE-CQSZACIVSA-N 1 0 387.571 1.825 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000886895425 657721917 /nfs/dbraw/zinc/72/19/17/657721917.db2.gz PRWLJGLRWGNFHA-SECBINFHSA-N 1 0 399.257 1.981 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1C ZINC000886937109 657727943 /nfs/dbraw/zinc/72/79/43/657727943.db2.gz UIYUUFPQWZAWOA-NSHDSACASA-N 1 0 376.429 1.269 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)Nc1ccc(Br)cc1F ZINC000887032519 657739633 /nfs/dbraw/zinc/73/96/33/657739633.db2.gz BIJTXKLOVVBQSC-MRVPVSSYSA-N 1 0 394.191 1.888 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)Nc1cccc(Br)c1 ZINC000887032067 657739813 /nfs/dbraw/zinc/73/98/13/657739813.db2.gz KOYNOJYLYYTYEN-SECBINFHSA-N 1 0 376.201 1.749 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000887035672 657741209 /nfs/dbraw/zinc/74/12/09/657741209.db2.gz UREOTOXFGBRADF-SECBINFHSA-N 1 0 391.216 1.452 20 0 GDADRO Cn1ncc(NC(=O)c2cnn(CC[NH+](C)C)c2)c1I ZINC000887065887 657746891 /nfs/dbraw/zinc/74/68/91/657746891.db2.gz XHRFYSYDXOABMP-UHFFFAOYSA-N 1 0 388.213 1.035 20 0 GDADRO CNC(=O)C1([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCOCC1 ZINC000887082832 657753260 /nfs/dbraw/zinc/75/32/60/657753260.db2.gz HBOWNMUIXMOYPW-NSHDSACASA-N 1 0 377.268 1.618 20 0 GDADRO O=C(NCC1C[NH+](CC[C@H]2CC2(Cl)Cl)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001031871442 657755739 /nfs/dbraw/zinc/75/57/39/657755739.db2.gz AQNHEUGJPYONIQ-ZQDZILKHSA-N 1 0 377.312 1.670 20 0 GDADRO C[C@H]1C[C@H](n2cc(CN3CCC[C@@H]([NH3+])C3)nn2)c2ccsc2S1(=O)=O ZINC000887419729 657781070 /nfs/dbraw/zinc/78/10/70/657781070.db2.gz YVYRZYZBHFFXTQ-ZOWXZIJZSA-N 1 0 381.527 1.418 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887939123 657850389 /nfs/dbraw/zinc/85/03/89/657850389.db2.gz PKECRLIHKXOFCP-GDZNZVCISA-N 1 0 385.917 1.417 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)CSCc3cc(=O)n4ccsc4n3)C[C@]2(C)C1 ZINC000887936661 657850409 /nfs/dbraw/zinc/85/04/09/657850409.db2.gz RVGPVJKPABRWBF-PXAZEXFGSA-N 1 0 378.523 1.399 20 0 GDADRO CO[C@@H](C(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccccc1Br ZINC000888980539 657963854 /nfs/dbraw/zinc/96/38/54/657963854.db2.gz GGGZFHAHTYKEEN-MRXNPFEDSA-N 1 0 384.318 1.842 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889755926 658031948 /nfs/dbraw/zinc/03/19/48/658031948.db2.gz KGGHSPAHQCDYGB-HUUCEWRRSA-N 1 0 398.301 1.832 20 0 GDADRO CC1(C)CC[N@H+](CCNC(=O)CSCc2cc(=O)n3ccsc3n2)C1 ZINC000890079127 658079373 /nfs/dbraw/zinc/07/93/73/658079373.db2.gz DDMSMGVJPTVIMX-UHFFFAOYSA-N 1 0 380.539 1.837 20 0 GDADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891412458 658236725 /nfs/dbraw/zinc/23/67/25/658236725.db2.gz ZKCZOEAEQGUSMT-LLVKDONJSA-N 1 0 395.859 1.658 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000891470125 658241973 /nfs/dbraw/zinc/24/19/73/658241973.db2.gz CGNHPGFXSOIKEH-BXUZGUMPSA-N 1 0 383.290 1.700 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2C[C@H]([NH3+])C[C@@H]2C)s1 ZINC000891515231 658246971 /nfs/dbraw/zinc/24/69/71/658246971.db2.gz LUNFMPCWPRENTD-QWHCGFSZSA-N 1 0 388.559 1.452 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891702666 658267325 /nfs/dbraw/zinc/26/73/25/658267325.db2.gz IPVGISJGADTKTF-INIZCTEOSA-N 1 0 386.543 1.202 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891708936 658268157 /nfs/dbraw/zinc/26/81/57/658268157.db2.gz UDYOMMRSRPHPHC-MNOVXSKESA-N 1 0 392.934 1.216 20 0 GDADRO CC(C)([NH3+])CCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000891858107 658278102 /nfs/dbraw/zinc/27/81/02/658278102.db2.gz MLEXUKZYOMOUEV-CYBMUJFWSA-N 1 0 383.290 1.981 20 0 GDADRO CN(C(=O)NCCNC(=O)c1cccc(Br)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000892590126 658335794 /nfs/dbraw/zinc/33/57/94/658335794.db2.gz QGUBYLWEWOUKGO-OAHLLOKOSA-N 1 0 397.317 1.915 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H](O)Cc1cccc(Cl)c1)C2 ZINC000892878531 658357467 /nfs/dbraw/zinc/35/74/67/658357467.db2.gz WWIHBILHZSCPIT-CYBMUJFWSA-N 1 0 380.901 1.927 20 0 GDADRO CS[C@H]1CN(c2nc(C)ncc2I)C[C@H]1[NH+](C)C ZINC000892999217 658366040 /nfs/dbraw/zinc/36/60/40/658366040.db2.gz BWLUTGNGOXASNL-MNOVXSKESA-N 1 0 378.283 1.871 20 0 GDADRO Cc1nn(C)c(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)c1Cl ZINC000893002254 658367367 /nfs/dbraw/zinc/36/73/67/658367367.db2.gz SPXKZAGMYSTMHA-UHFFFAOYSA-N 1 0 390.937 1.445 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000893172188 658382487 /nfs/dbraw/zinc/38/24/87/658382487.db2.gz OMFRSRATXQKWRR-YNEHKIRRSA-N 1 0 392.315 1.602 20 0 GDADRO O=C(NCc1ncc(Br)cn1)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000893699149 658435303 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COc1cc(Br)ccc1CNC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000894306708 658537451 /nfs/dbraw/zinc/53/74/51/658537451.db2.gz SMOTYPZNIJNKOB-UHFFFAOYSA-N 1 0 399.333 1.847 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894359470 658544689 /nfs/dbraw/zinc/54/46/89/658544689.db2.gz PRPAQUUVQAACAC-LLVKDONJSA-N 1 0 394.950 1.147 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)O1 ZINC000894373288 658547272 /nfs/dbraw/zinc/54/72/72/658547272.db2.gz RNDWQQMUFICNLZ-NEPJUHHUSA-N 1 0 388.921 1.359 20 0 GDADRO COC(=O)C1(C[NH2+]Cc2cn(C)nc2I)CCCC1 ZINC000894444132 658558799 /nfs/dbraw/zinc/55/87/99/658558799.db2.gz FGQPJAHGMDHZPH-UHFFFAOYSA-N 1 0 377.226 1.848 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NCc1c(I)cnn1C ZINC000894484155 658567542 /nfs/dbraw/zinc/56/75/42/658567542.db2.gz QVKWRIZEVFYRAJ-GFCCVEGCSA-N 1 0 391.301 1.140 20 0 GDADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCS(=O)(=O)N(C)C ZINC000894559523 658582282 /nfs/dbraw/zinc/58/22/82/658582282.db2.gz WNQHWIZUTBTCLU-UHFFFAOYSA-N 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CC(=O)Nc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1C ZINC000903578468 659349499 /nfs/dbraw/zinc/34/94/99/659349499.db2.gz IAMGGNAFISZGQQ-OLZOCXBDSA-N 1 0 379.404 1.854 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(F)c1 ZINC000903579185 659350180 /nfs/dbraw/zinc/35/01/80/659350180.db2.gz MGJNPJWGLLFVJK-MWLCHTKSSA-N 1 0 384.351 1.513 20 0 GDADRO CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903579783 659350572 /nfs/dbraw/zinc/35/05/72/659350572.db2.gz QLGGFOHSDUDDCL-ILXRZTDVSA-N 1 0 380.432 1.785 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Br)cnc1Cl)C2 ZINC000903580772 659351454 /nfs/dbraw/zinc/35/14/54/659351454.db2.gz BAWSRVIGHCVTCJ-HGNGGELXSA-N 1 0 380.695 1.998 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(I)cc1)C2 ZINC000903582028 659352761 /nfs/dbraw/zinc/35/27/61/659352761.db2.gz QNXTWBFZAXCBGN-WCQGTBRESA-N 1 0 392.262 1.792 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c1F ZINC000903586732 659354488 /nfs/dbraw/zinc/35/44/88/659354488.db2.gz VVJBVFTUAMSBHJ-RFAUZJTJSA-N 1 0 376.837 1.768 20 0 GDADRO COc1cc(S(=O)(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c(OC)cc1Br ZINC000903586395 659354520 /nfs/dbraw/zinc/35/45/20/659354520.db2.gz FWCMFDPIEMRNAT-CYBMUJFWSA-N 1 0 393.303 1.824 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000903586718 659354551 /nfs/dbraw/zinc/35/45/51/659354551.db2.gz VRRGCQHTEHZCTF-GWCFXTLKSA-N 1 0 398.428 1.482 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592624 659356728 /nfs/dbraw/zinc/35/67/28/659356728.db2.gz OZPKLPITULZLSI-NSHDSACASA-N 1 0 398.291 1.869 20 0 GDADRO CC[NH+]1CCN(c2ccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)cc2)CC1 ZINC000903605017 659360641 /nfs/dbraw/zinc/36/06/41/659360641.db2.gz TUNWBQVZNXEGOR-DEOSSOPVSA-N 1 0 389.547 1.060 20 0 GDADRO CCc1nc(CN(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cs1 ZINC000903730377 659378172 /nfs/dbraw/zinc/37/81/72/659378172.db2.gz JBIAQYZABNLUBT-MNOVXSKESA-N 1 0 378.420 1.402 20 0 GDADRO CCS[C@@H]1CCCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903741066 659378452 /nfs/dbraw/zinc/37/84/52/659378452.db2.gz ACVVZJYXZOHCCR-FRRDWIJNSA-N 1 0 381.464 1.859 20 0 GDADRO Cc1nc(C)c([C@H](C)N(C)C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903742452 659378516 /nfs/dbraw/zinc/37/85/16/659378516.db2.gz OTDHAMXWNYJFLE-JMJZKYOTSA-N 1 0 378.420 1.627 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903754782 659379055 /nfs/dbraw/zinc/37/90/55/659379055.db2.gz QAVJWVXWSZRWJY-AWEZNQCLSA-N 1 0 382.302 1.912 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCc3cccc(Cl)c3C2)C[C@H]1C(F)(F)F ZINC000903762754 659379412 /nfs/dbraw/zinc/37/94/12/659379412.db2.gz IVIFOBJQEVHOJQ-DGCLKSJQSA-N 1 0 375.778 1.573 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000903876448 659386041 /nfs/dbraw/zinc/38/60/41/659386041.db2.gz KRIUIYYHKYDSCX-LBPRGKRZSA-N 1 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ZINC000905141067 659426851 /nfs/dbraw/zinc/42/68/51/659426851.db2.gz YEZZBBJAUCLQCW-CQSZACIVSA-N 1 0 375.560 1.851 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)CC2(CO)CCCC2)c(C)s1 ZINC000905177829 659429847 /nfs/dbraw/zinc/42/98/47/659429847.db2.gz RUNDVCFCSFNHCV-OAHLLOKOSA-N 1 0 390.571 1.537 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CC2(CO)CCCC2)s1 ZINC000905178459 659429856 /nfs/dbraw/zinc/42/98/56/659429856.db2.gz XCSMUVYXMAZJBR-AWEZNQCLSA-N 1 0 376.544 1.228 20 0 GDADRO CN(CC[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)S(=O)(=O)c1cccs1 ZINC000905178439 659429880 /nfs/dbraw/zinc/42/98/80/659429880.db2.gz WNICYPQCVABNDA-HZPDHXFCSA-N 1 0 384.523 1.443 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1)c1cccs1 ZINC000905180559 659430047 /nfs/dbraw/zinc/43/00/47/659430047.db2.gz KPIYAJYIFVJAOX-JKSUJKDBSA-N 1 0 384.523 1.491 20 0 GDADRO O[C@H](C[NH2+][C@H]1COc2cc(F)c(Br)cc21)C[C@]1(O)CCOC1 ZINC000905247563 659436533 /nfs/dbraw/zinc/43/65/33/659436533.db2.gz OYRYVUQMWXTSHC-DYQSUWPFSA-N 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1 0 378.238 1.723 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@]12C[C@H]1CCC2 ZINC000905621386 659470170 /nfs/dbraw/zinc/47/01/70/659470170.db2.gz OZEPTSLSOWTWJI-PBHICJAKSA-N 1 0 386.539 1.490 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(Cn3nnn(-c4ccc(Br)cc4)c3=O)CC[C@@H]21 ZINC000905670646 659474492 /nfs/dbraw/zinc/47/44/92/659474492.db2.gz GVSPQVXHDHEALT-WFASDCNBSA-N 1 0 393.289 1.175 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1cnnn1-c1ccccc1Br ZINC000906123644 659522216 /nfs/dbraw/zinc/52/22/16/659522216.db2.gz KKUCRNNNHFBKQU-UHFFFAOYSA-N 1 0 396.289 1.728 20 0 GDADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1nc(C)ccc1Br ZINC000906122902 659522306 /nfs/dbraw/zinc/52/23/06/659522306.db2.gz GBONBQPYHCHGIQ-MRXNPFEDSA-N 1 0 386.290 1.572 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1I)[NH+]1CCCCC1 ZINC000906351003 659533072 /nfs/dbraw/zinc/53/30/72/659533072.db2.gz GWSYLXLWGBGMAA-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)[N@H+](C)C1CC1 ZINC000906542308 659551657 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GDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC000906757852 659583031 /nfs/dbraw/zinc/58/30/31/659583031.db2.gz ZQPXJCZOAPOHKT-NSHDSACASA-N 1 0 382.675 1.907 20 0 GDADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906783128 659587589 /nfs/dbraw/zinc/58/75/89/659587589.db2.gz RJVZQDIGZQTLNO-RTHLEPHNSA-N 1 0 387.665 1.694 20 0 GDADRO CO[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)s1 ZINC000906783253 659587720 /nfs/dbraw/zinc/58/77/20/659587720.db2.gz ZWSZNQQCQCFIJE-WDMOLILDSA-N 1 0 390.347 1.949 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2nscc2I)CCSC1 ZINC000906903361 659613489 /nfs/dbraw/zinc/61/34/89/659613489.db2.gz WEZNIASWSGCALT-NSHDSACASA-N 1 0 397.307 1.915 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906905961 659614549 /nfs/dbraw/zinc/61/45/49/659614549.db2.gz DJAGVAYAJLDQOO-UHFFFAOYSA-N 1 0 394.317 1.853 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)oc1Cl ZINC000906927484 659619986 /nfs/dbraw/zinc/61/99/86/659619986.db2.gz BFZKRQIXZJEXPS-LLVKDONJSA-N 1 0 376.862 1.969 20 0 GDADRO CCC[N@@H+]1CCC[C@H](C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000906952566 659627006 /nfs/dbraw/zinc/62/70/06/659627006.db2.gz GTBQRGVTVVQVSS-LBPRGKRZSA-N 1 0 385.452 1.539 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1c[nH]c2ncc(Cl)cc12 ZINC000906979290 659634280 /nfs/dbraw/zinc/63/42/80/659634280.db2.gz ZGSRSPQXHNCQDD-CYBMUJFWSA-N 1 0 386.905 1.732 20 0 GDADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000907046868 659652533 /nfs/dbraw/zinc/65/25/33/659652533.db2.gz LJDOTMMDYDMSAO-XQQFMLRXSA-N 1 0 387.735 1.992 20 0 GDADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CCCO1 ZINC000907155096 659684354 /nfs/dbraw/zinc/68/43/54/659684354.db2.gz HTPWQKSKNIEERP-GFCCVEGCSA-N 1 0 386.905 1.996 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)oc1Cl ZINC000907188074 659695289 /nfs/dbraw/zinc/69/52/89/659695289.db2.gz QOYJOVRYXOXZBW-CMPLNLGQSA-N 1 0 376.862 1.967 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CC(F)(F)C(F)F)c1 ZINC000907399330 659746298 /nfs/dbraw/zinc/74/62/98/659746298.db2.gz GACIODUVQVRTAQ-UHFFFAOYSA-N 1 0 385.383 1.756 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000907855941 659839515 /nfs/dbraw/zinc/83/95/15/659839515.db2.gz PTKOEEDTFQSCSB-UHFFFAOYSA-N 1 0 385.917 1.901 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)NCCCCn1cc(Br)cn1 ZINC000907862045 659840007 /nfs/dbraw/zinc/84/00/07/659840007.db2.gz HNWBPFDSPNGXIB-UHFFFAOYSA-N 1 0 383.294 1.614 20 0 GDADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000908008007 659853211 /nfs/dbraw/zinc/85/32/11/659853211.db2.gz UTVMKPLHVXVOQZ-JKSUJKDBSA-N 1 0 376.881 1.840 20 0 GDADRO O=C(c1nscc1I)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908198837 659881020 /nfs/dbraw/zinc/88/10/20/659881020.db2.gz CMNODPSIGKNHPJ-IUCAKERBSA-N 1 0 393.250 1.029 20 0 GDADRO C[C@H]1C[C@H](NC(=O)c2ccnn2CC[NH+](C)C)c2ccsc2S1(=O)=O ZINC000908303064 659894330 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389.283 1.081 20 0 GDADRO CC[C@H](C)[NH+]1CCN(C(=O)c2cn(C)nc2I)CC1 ZINC000909262495 659944247 /nfs/dbraw/zinc/94/42/47/659944247.db2.gz UQKZWLBLIPJYFR-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCS[C@H](C(F)(F)F)C1 ZINC000910699444 659979918 /nfs/dbraw/zinc/97/99/18/659979918.db2.gz KTUUJYOULIRZJE-AGIUHOORSA-N 1 0 379.448 1.578 20 0 GDADRO CCN1CC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000910726363 659981715 /nfs/dbraw/zinc/98/17/15/659981715.db2.gz NDVSQXZKTFZNDF-CABCVRRESA-N 1 0 398.301 1.151 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000910968753 659989511 /nfs/dbraw/zinc/98/95/11/659989511.db2.gz CAFPLCBRXVVFAY-AEGPPILISA-N 1 0 394.313 1.564 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2cccc(Br)c2)C[C@H]1CC[NH3+] ZINC000911019503 659991143 /nfs/dbraw/zinc/99/11/43/659991143.db2.gz TWODASQKMCCPFE-TZMCWYRMSA-N 1 0 382.302 1.551 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000911029209 659991256 /nfs/dbraw/zinc/99/12/56/659991256.db2.gz LOMINPNIDRCGGI-GAFUQQFSSA-N 1 0 382.258 1.242 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000911029799 659991305 /nfs/dbraw/zinc/99/13/05/659991305.db2.gz QFIPZLGIHHDQOI-SUHUHFCYSA-N 1 0 396.285 1.633 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000911042147 659992141 /nfs/dbraw/zinc/99/21/41/659992141.db2.gz IKXIJDKWFMWMBH-JTQLQIEISA-N 1 0 388.693 1.916 20 0 GDADRO O=C(NCc1cccc(Br)c1Cl)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911041665 659992190 /nfs/dbraw/zinc/99/21/90/659992190.db2.gz FSDQZDHJRSHRTC-ADEWGFFLSA-N 1 0 386.677 1.728 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000911043562 659992361 /nfs/dbraw/zinc/99/23/61/659992361.db2.gz VEJUUFYEGNQNFH-LLVKDONJSA-N 1 0 388.693 1.833 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC000911043271 659992375 /nfs/dbraw/zinc/99/23/75/659992375.db2.gz QROPIXHZILUYAM-QGZVFWFLSA-N 1 0 380.286 1.728 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911112209 659994899 /nfs/dbraw/zinc/99/48/99/659994899.db2.gz JJKHEYBEGWIVQO-VXGBXAGGSA-N 1 0 398.301 1.436 20 0 GDADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911136267 659996517 /nfs/dbraw/zinc/99/65/17/659996517.db2.gz ZVDUUUGMHZWSHK-PIGZYNQJSA-N 1 0 388.295 1.353 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)NCc1ccc(Br)cc1OC)C(C)C ZINC000911157398 659996938 /nfs/dbraw/zinc/99/69/38/659996938.db2.gz UTSHPHWKZAGKOO-UHFFFAOYSA-N 1 0 386.290 1.530 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)CC[C@@H]1C[NH3+] ZINC000911213249 659999069 /nfs/dbraw/zinc/99/90/69/659999069.db2.gz WELGKQBCJPPIHT-VHSXEESVSA-N 1 0 378.420 1.264 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911253910 660000217 /nfs/dbraw/zinc/00/02/17/660000217.db2.gz CLYFTNZEAVLQHD-QWHCGFSZSA-N 1 0 398.276 1.315 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911256486 660000577 /nfs/dbraw/zinc/00/05/77/660000577.db2.gz UIZDVIFNMRYGPE-HZMBPMFUSA-N 1 0 398.301 1.831 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(Br)cc1 ZINC000911267973 660001134 /nfs/dbraw/zinc/00/11/34/660001134.db2.gz BNLSAFUXUFWQII-RRFJBIMHSA-N 1 0 394.313 1.852 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000911284018 660001924 /nfs/dbraw/zinc/00/19/24/660001924.db2.gz YPZCJGFQBTXYAC-KFWWJZLASA-N 1 0 395.301 1.894 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000911295697 660002230 /nfs/dbraw/zinc/00/22/30/660002230.db2.gz XHMGHBWXGTUODB-KGLIPLIRSA-N 1 0 383.290 1.607 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000911304443 660002668 /nfs/dbraw/zinc/00/26/68/660002668.db2.gz XEJBSYUPZGXIQW-IINYFYTJSA-N 1 0 384.274 1.188 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911311725 660003004 /nfs/dbraw/zinc/00/30/04/660003004.db2.gz 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CSC1CCC(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000911403984 660006245 /nfs/dbraw/zinc/00/62/45/660006245.db2.gz TYZMCAUTSKJRAQ-POOIEITISA-N 1 0 381.464 1.620 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000911423368 660007190 /nfs/dbraw/zinc/00/71/90/660007190.db2.gz VQQFAJRHUFFLCH-UHFFFAOYSA-N 1 0 384.274 1.414 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000911488981 660008748 /nfs/dbraw/zinc/00/87/48/660008748.db2.gz NBVWJIQHUARXGU-LNSITVRQSA-N 1 0 395.301 1.751 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911560273 660010765 /nfs/dbraw/zinc/01/07/65/660010765.db2.gz MIRJTTFANRYCCM-AULYBMBSSA-N 1 0 384.274 1.140 20 0 GDADRO Cc1ccc2[nH]c(C(=O)NCC(=O)N3CC[NH2+]CC3)cc2c1Br ZINC000911703253 660017368 /nfs/dbraw/zinc/01/73/68/660017368.db2.gz VXJMHSHOUDPOIN-UHFFFAOYSA-N 1 0 379.258 1.400 20 0 GDADRO COc1cc(Br)cc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000911730390 660017685 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CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)ccc1Cl ZINC000911992891 660023576 /nfs/dbraw/zinc/02/35/76/660023576.db2.gz PSGFSHZQCOYBDE-WBMJQRKESA-N 1 0 389.905 1.422 20 0 GDADRO O=C(CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)Nc1cc(Cl)ccc1Cl ZINC000912030037 660024629 /nfs/dbraw/zinc/02/46/29/660024629.db2.gz UFGRZXKGYLCYQG-INIZCTEOSA-N 1 0 385.251 1.947 20 0 GDADRO CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000912056797 660025885 /nfs/dbraw/zinc/02/58/85/660025885.db2.gz WMFOLKKOGMPBPR-HNNXBMFYSA-N 1 0 387.933 1.936 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000912115006 660027653 /nfs/dbraw/zinc/02/76/53/660027653.db2.gz ZHNFPYWEBQKAHJ-YGRLFVJLSA-N 1 0 377.388 1.608 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)Nc1cccc(OC(F)(F)F)c1 ZINC000912213799 660029682 /nfs/dbraw/zinc/02/96/82/660029682.db2.gz FSXJPJSVLPHBMB-JIMOISOXSA-N 1 0 378.372 1.546 20 0 GDADRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)NCc1cccc(Br)c1 ZINC000912239022 660030466 /nfs/dbraw/zinc/03/04/66/660030466.db2.gz NGJAEPBPFGMMBG-KWCYVHTRSA-N 1 0 387.299 1.088 20 0 GDADRO O=C(N[C@H]1CCCCNC1=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000912273886 660031410 /nfs/dbraw/zinc/03/14/10/660031410.db2.gz LPIHHEDHVUDZST-HNNXBMFYSA-N 1 0 394.313 1.855 20 0 GDADRO O=C(NCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)c1ccc(Br)cn1 ZINC000912297505 660032258 /nfs/dbraw/zinc/03/22/58/660032258.db2.gz SIKYWIROMHTQQK-UKRRQHHQSA-N 1 0 395.301 1.707 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2ncc(Br)cn2n1 ZINC000912386924 660034740 /nfs/dbraw/zinc/03/47/40/660034740.db2.gz KUKQTNJIPREMRL-UHFFFAOYSA-N 1 0 383.294 1.105 20 0 GDADRO C[C@]1(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C[NH+]2CCC1CC2 ZINC000912383182 660034774 /nfs/dbraw/zinc/03/47/74/660034774.db2.gz OKRUQDRAJRYCLY-KRWDZBQOSA-N 1 0 385.917 1.609 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cccn2ncc(Br)c12 ZINC000912464806 660038770 /nfs/dbraw/zinc/03/87/70/660038770.db2.gz ZRNAIFXKCMLTBN-UHFFFAOYSA-N 1 0 396.289 1.189 20 0 GDADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c(I)n1 ZINC000912603272 660044410 /nfs/dbraw/zinc/04/44/10/660044410.db2.gz RWMSUPQAUVLOQA-QWRGUYRKSA-N 1 0 388.253 1.627 20 0 GDADRO COc1nsc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1Br ZINC000912948328 660061439 /nfs/dbraw/zinc/06/14/39/660061439.db2.gz NKAHHIOTKMDLRD-ZDUSSCGKSA-N 1 0 378.292 1.377 20 0 GDADRO C[NH+]1C[C@@]2(C)CN(C(=O)CSc3nnnn3CC(F)(F)F)C[C@]2(C)C1 ZINC000913287825 660075050 /nfs/dbraw/zinc/07/50/50/660075050.db2.gz JHZNMTZRPLBLQA-STQMWFEESA-N 1 0 378.424 1.128 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)NCC(=O)c2ccc(Br)c(F)c2)C1 ZINC000913363927 660077630 /nfs/dbraw/zinc/07/76/30/660077630.db2.gz ZQUPKICAAGTAHW-UHFFFAOYSA-N 1 0 386.265 1.381 20 0 GDADRO O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000913629344 660090367 /nfs/dbraw/zinc/09/03/67/660090367.db2.gz XQASMEWRXBMJPE-LBPRGKRZSA-N 1 0 378.270 1.766 20 0 GDADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2c(Br)cnn2C)CC1 ZINC000913649492 660090772 /nfs/dbraw/zinc/09/07/72/660090772.db2.gz OTTOKJHSDRMMOO-UHFFFAOYSA-N 1 0 386.338 1.605 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CC[NH+](CCCCCO)CC2)cc1Br ZINC000913693126 660092600 /nfs/dbraw/zinc/09/26/00/660092600.db2.gz NVSVSYHYBHUUOD-UHFFFAOYSA-N 1 0 386.290 1.779 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@H]2COc3cccc(Br)c3C2)C1 ZINC000913763425 660096132 /nfs/dbraw/zinc/09/61/32/660096132.db2.gz GPLDBSXFMMHDBD-CYBMUJFWSA-N 1 0 382.302 1.362 20 0 GDADRO CC(C)[C@@H](CNC(=O)N1CCS[C@H](C(F)(F)F)C1)[NH+]1CCN(C)CC1 ZINC000913998163 660109404 /nfs/dbraw/zinc/10/94/04/660109404.db2.gz IJCSVEAHGLTCOF-KGLIPLIRSA-N 1 0 382.496 1.948 20 0 GDADRO NS(=O)(=O)C1CN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000914063436 660113404 /nfs/dbraw/zinc/11/34/04/660113404.db2.gz XAKGQVKQALCLGW-OAHLLOKOSA-N 1 0 386.905 1.159 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000914172438 660122953 /nfs/dbraw/zinc/12/29/53/660122953.db2.gz HYKDVMGIXIPVNS-UHFFFAOYSA-N 1 0 395.294 1.464 20 0 GDADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000914306247 660137833 /nfs/dbraw/zinc/13/78/33/660137833.db2.gz FTCDRRLBXODLQW-CVEARBPZSA-N 1 0 376.881 1.918 20 0 GDADRO COCCN(CCOC)S(=O)(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000915222007 660164648 /nfs/dbraw/zinc/16/46/48/660164648.db2.gz PWLRAJMFLQRGET-QGZVFWFLSA-N 1 0 379.567 1.172 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000915788752 660178510 /nfs/dbraw/zinc/17/85/10/660178510.db2.gz ICGOXSJDZCFASV-RISCZKNCSA-N 1 0 383.290 1.571 20 0 GDADRO O=S1(=O)CCC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000463239201 677678567 /nfs/dbraw/zinc/67/85/67/677678567.db2.gz UNPJFUIXNAPZCO-ZDUSSCGKSA-N 1 0 376.316 1.767 20 0 GDADRO COc1ccc2nc(C(F)(F)N3C[C@H]4C[NH2+]C[C@]4(CO)C3)nc(Cl)c2c1 ZINC001164409626 718853655 /nfs/dbraw/zinc/85/36/55/718853655.db2.gz VZCVRUYRVUBUSV-QLJPJBMISA-N 1 0 384.814 1.855 20 0 GDADRO O=C1NCCN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)C12C[NH2+]C2 ZINC001164412304 718878913 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20 0 GDADRO C[NH+](C)Cc1ccnc(N2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)c1 ZINC001164715790 720055571 /nfs/dbraw/zinc/05/55/71/720055571.db2.gz ULMFXYNEWJFKPP-HQRMLTQVSA-N 1 0 396.495 1.347 20 0 GDADRO Cc1noc([C@]23COC[C@@H]2CN(c2cccc(OCC[NH+]4CCCC4)n2)C3)n1 ZINC001164809304 720058968 /nfs/dbraw/zinc/05/89/68/720058968.db2.gz ZTAYODAEVQGHIM-OXJNMPFZSA-N 1 0 385.468 1.652 20 0 GDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3nc[nH]c3c(N(C)C)n1)C2 ZINC001164811773 720134044 /nfs/dbraw/zinc/13/40/44/720134044.db2.gz NEWWNEFKFCXEIT-YWZLYKJASA-N 1 0 385.516 1.604 20 0 GDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1C(C)(C)C(=O)N3)C2 ZINC001164818763 720156666 /nfs/dbraw/zinc/15/66/66/720156666.db2.gz UOAHCANRPTVTAQ-YCRPNKLZSA-N 1 0 385.512 1.891 20 0 GDADRO Cn1nnc2c1CCN(c1nncc3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718767 720174228 /nfs/dbraw/zinc/17/42/28/720174228.db2.gz QSMAHPOLFONDOU-LJQANCHMSA-N 1 0 393.495 1.975 20 0 GDADRO Cc1cc2c(ncnc2N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)[nH]1 ZINC001164717640 720175385 /nfs/dbraw/zinc/17/53/85/720175385.db2.gz KXZQOIKSQSKHEX-QGZVFWFLSA-N 1 0 396.499 1.611 20 0 GDADRO CC(=O)Nc1cccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164718323 720182095 /nfs/dbraw/zinc/18/20/95/720182095.db2.gz ONOFDSFYFIEWKZ-QGZVFWFLSA-N 1 0 399.499 1.385 20 0 GDADRO Cn1nnc2c1CCN(c1nccc3cnccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716686 720189391 /nfs/dbraw/zinc/18/93/91/720189391.db2.gz RMELQCMQRAUZAV-LJQANCHMSA-N 1 0 393.495 1.975 20 0 GDADRO CNC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164812870 720199968 /nfs/dbraw/zinc/19/99/68/720199968.db2.gz MRUIANNARRTQIJ-KUHUBIRLSA-N 1 0 393.919 1.674 20 0 GDADRO Cn1nnc2c1CCN(c1ncc3c(n1)CCCC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164718475 720201442 /nfs/dbraw/zinc/20/14/42/720201442.db2.gz ZRXWLQDZCYHZTM-IBGZPJMESA-N 1 0 397.527 1.700 20 0 GDADRO CCNC(=O)c1ccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1 ZINC001164812165 720233679 /nfs/dbraw/zinc/23/36/79/720233679.db2.gz CGCUPUACLCPXFG-UHFFFAOYSA-N 1 0 398.511 1.639 20 0 GDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc(N)n2)CC1 ZINC001164817291 720284549 /nfs/dbraw/zinc/28/45/49/720284549.db2.gz CDXRBZKZGYDCIZ-KBPBESRZSA-N 1 0 378.908 1.624 20 0 GDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(N3CCCC3)n2)CC1 ZINC001164817616 720285251 /nfs/dbraw/zinc/28/52/51/720285251.db2.gz DYLILMYIQXTYDA-RTBURBONSA-N 1 0 398.555 1.988 20 0 GDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc3c(cn2)NC(=O)C3)CC1 ZINC001164821585 720300115 /nfs/dbraw/zinc/30/01/15/720300115.db2.gz KXFJKERBHUDBLM-MSOLQXFVSA-N 1 0 383.496 1.488 20 0 GDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3cnccc32)CC1 ZINC001164826556 720302202 /nfs/dbraw/zinc/30/22/02/720302202.db2.gz VORHTXRQAXEXNK-RBUKOAKNSA-N 1 0 380.496 1.936 20 0 GDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cncc(-n3ccnc3)n2)CC1 ZINC001164825413 720329768 /nfs/dbraw/zinc/32/97/68/720329768.db2.gz DTXIVMFHQKEEHF-MSOLQXFVSA-N 1 0 395.511 1.574 20 0 GDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(Cl)c[n+]2[O-])CC1 ZINC001164828489 720334682 /nfs/dbraw/zinc/33/46/82/720334682.db2.gz JWHDCVXLJBBOIF-DLBZAZTESA-N 1 0 378.904 1.885 20 0 GDADRO COC(=O)c1ccc2ncnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1 ZINC001164732761 720508114 /nfs/dbraw/zinc/50/81/14/720508114.db2.gz WXRGNVGDNNUHBP-AWEZNQCLSA-N 1 0 380.452 1.811 20 0 GDADRO CCOC(=O)c1cc(Cl)nnc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164731242 720509907 /nfs/dbraw/zinc/50/99/07/720509907.db2.gz OPMQPFQHAFYRBT-GFCCVEGCSA-N 1 0 378.864 1.701 20 0 GDADRO COC(=O)CSc1cncc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164734872 720527352 /nfs/dbraw/zinc/52/73/52/720527352.db2.gz SNGQXQLIVDHTNR-ZDUSSCGKSA-N 1 0 376.486 1.136 20 0 GDADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4ncn(C)c4n3)CC[C@@H]21 ZINC001164835031 720536227 /nfs/dbraw/zinc/53/62/27/720536227.db2.gz GTWDNGYQOLUREW-BQFCYCMXSA-N 1 0 380.500 1.938 20 0 GDADRO COC(=O)c1cnc(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164734288 720551433 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395.463 1.790 20 0 GDADRO c1ncc(O[C@@H]2C[C@H]3CN(c4cncc(N5CCCCC5)n4)CC[N@H+]3C2)cn1 ZINC001164739485 720735230 /nfs/dbraw/zinc/73/52/30/720735230.db2.gz IXTDSXDCGSCYAM-DLBZAZTESA-N 1 0 381.484 1.599 20 0 GDADRO c1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)nc1 ZINC001164742924 720780529 /nfs/dbraw/zinc/78/05/29/720780529.db2.gz PJSFUZXKAIYECE-HZPDHXFCSA-N 1 0 375.436 1.671 20 0 GDADRO COc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2c1ccn2C ZINC001164742717 720802527 /nfs/dbraw/zinc/80/25/27/720802527.db2.gz DCLJKTPAQUFRAV-ZIAGYGMSSA-N 1 0 381.440 1.109 20 0 GDADRO F[C@H](Oc1ccc(Cl)nn1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742805 720805142 /nfs/dbraw/zinc/80/51/42/720805142.db2.gz FAYDPAMASNFWQF-WQGACYEGSA-N 1 0 380.811 1.389 20 0 GDADRO COC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164752125 720811075 /nfs/dbraw/zinc/81/10/75/720811075.db2.gz YVDDPGBNCPINLP-GBESFXJTSA-N 1 0 396.495 1.839 20 0 GDADRO CN(C)c1cncc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164740850 720813907 /nfs/dbraw/zinc/81/39/07/720813907.db2.gz AMSQKOWJNGMVGO-RCCFBDPRSA-N 1 0 382.516 1.514 20 0 GDADRO COc1cc(OC)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737647 720817802 /nfs/dbraw/zinc/81/78/02/720817802.db2.gz BGIDTDRZEMZKQR-IXDOHACOSA-N 1 0 399.499 1.465 20 0 GDADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(Cl)cc3C(=O)OC)CC[C@@H]2C1 ZINC001164848784 720836275 /nfs/dbraw/zinc/83/62/75/720836275.db2.gz BAQMBGNUSNVSOZ-CJNGLKHVSA-N 1 0 383.876 1.695 20 0 GDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4cnccc43)CC[C@H]2C1 ZINC001164857843 720847283 /nfs/dbraw/zinc/84/72/83/720847283.db2.gz YTOBGMKTEWNKFZ-BBRMVZONSA-N 1 0 377.876 1.852 20 0 GDADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(C(=O)NC(C)(C)C)cn3)CC[C@@H]2C1 ZINC001164861801 720856151 /nfs/dbraw/zinc/85/61/51/720856151.db2.gz YSKDCSQBJBRDTM-MSOLQXFVSA-N 1 0 390.528 1.783 20 0 GDADRO CCOCc1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164851593 720870423 /nfs/dbraw/zinc/87/04/23/720870423.db2.gz BFHFKWJIMSIBOJ-ZBFHGGJFSA-N 1 0 384.908 1.840 20 0 GDADRO Cc1nc2sccc2c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164747833 720944574 /nfs/dbraw/zinc/94/45/74/720944574.db2.gz DMEPVILRIIPHOQ-UHFFFAOYSA-N 1 0 386.481 1.842 20 0 GDADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(-c3ncc[nH]3)ccn1)CC2 ZINC001164751565 720960670 /nfs/dbraw/zinc/96/06/70/720960670.db2.gz QEVMZNPZJUCWDS-UHFFFAOYSA-N 1 0 381.440 1.314 20 0 GDADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(S(N)(=O)=O)ccn1)[C@@H]2C ZINC001164860339 721011410 /nfs/dbraw/zinc/01/14/10/721011410.db2.gz LKLLEHLIZTWLFF-CYBMUJFWSA-N 1 0 378.502 1.347 20 0 GDADRO Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)n2)cn1 ZINC001164768686 721037195 /nfs/dbraw/zinc/03/71/95/721037195.db2.gz VJGSBJUYLXGSOZ-ZWKOTPCHSA-N 1 0 395.511 1.060 20 0 GDADRO NC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868000 721073781 /nfs/dbraw/zinc/07/37/81/721073781.db2.gz LXMVQUSNBOGHGK-KGLIPLIRSA-N 1 0 388.859 1.104 20 0 GDADRO CCOC(=O)c1c(C)ncnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865138 721092625 /nfs/dbraw/zinc/09/26/25/721092625.db2.gz IQVSVEURUSFGPN-MSOLQXFVSA-N 1 0 397.479 1.836 20 0 GDADRO CN(C)c1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2nc[nH]c21 ZINC001164866383 721106204 /nfs/dbraw/zinc/10/62/04/721106204.db2.gz SYDXOSPEKNBPNF-HOTGVXAUSA-N 1 0 394.483 1.294 20 0 GDADRO CCOc1ccc(C(=O)OC)c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164773183 721151530 /nfs/dbraw/zinc/15/15/30/721151530.db2.gz XCEKEKDDKLXGLI-IAGOWNOFSA-N 1 0 399.495 1.959 20 0 GDADRO CCOC(=O)c1nccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871086 721155861 /nfs/dbraw/zinc/15/58/61/721155861.db2.gz DLGQGMRXYGYAAZ-IAGOWNOFSA-N 1 0 383.452 1.528 20 0 GDADRO CON(C)C(=O)c1cc(C)cnc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164770120 721176605 /nfs/dbraw/zinc/17/66/05/721176605.db2.gz NGMBVSPOWVXVHJ-MSOLQXFVSA-N 1 0 398.511 1.715 20 0 GDADRO Cc1nc(-n2cncn2)cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164761390 721229498 /nfs/dbraw/zinc/22/94/98/721229498.db2.gz HYABUHOUXILTAI-SJORKVTESA-N 1 0 379.472 1.058 20 0 GDADRO COc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc2c1ccn2C ZINC001164769810 721238037 /nfs/dbraw/zinc/23/80/37/721238037.db2.gz ZSFAOBYXSHEURR-JKSUJKDBSA-N 1 0 381.484 1.669 20 0 GDADRO C[NH+](C)Cc1ccnc(N2C[C@@H]3COC[C@@H](C(=O)NCc4ccco4)[C@H]3C2)c1 ZINC001164764518 721256951 /nfs/dbraw/zinc/25/69/51/721256951.db2.gz ORWBTOPXFUINGS-NZSAHSFTSA-N 1 0 384.480 1.751 20 0 GDADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5cnccc54)C3)O2)CC1 ZINC001164887372 721391617 /nfs/dbraw/zinc/39/16/17/721391617.db2.gz HWNKIXGHUPTDTI-LAUBAEHRSA-N 1 0 382.512 1.790 20 0 GDADRO Cc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C(N)=O ZINC001164891322 721406111 /nfs/dbraw/zinc/40/61/11/721406111.db2.gz VKBTXKHEIRYMET-LAUBAEHRSA-N 1 0 387.528 1.254 20 0 GDADRO COc1cc(C)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887702 721406865 /nfs/dbraw/zinc/40/68/65/721406865.db2.gz MMBMCWCMJUZKNQ-FXAWDEMLSA-N 1 0 375.517 1.559 20 0 GDADRO c1csc(CN2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)C[C@H]3C2)n1 ZINC001164783966 721427870 /nfs/dbraw/zinc/42/78/70/721427870.db2.gz KCYXKLJMMNSQMF-HUUCEWRRSA-N 1 0 386.525 1.632 20 0 GDADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@H]43)n2)CC1 ZINC001164892696 721458030 /nfs/dbraw/zinc/45/80/30/721458030.db2.gz XFSDPCLOJNMXRN-SQNIBIBYSA-N 1 0 385.512 1.096 20 0 GDADRO Cc1nc(Cl)c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1C ZINC001164794789 721514051 /nfs/dbraw/zinc/51/40/51/721514051.db2.gz WFLTWORGTUGHIS-UHFFFAOYSA-N 1 0 375.908 1.711 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc(C4CC4)n2)CC3)CC1 ZINC001164794422 721514755 /nfs/dbraw/zinc/51/47/55/721514755.db2.gz PANGFWZTWLYVQO-UHFFFAOYSA-N 1 0 387.919 1.972 20 0 GDADRO Cc1cc(C(N)=O)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164802653 721589405 /nfs/dbraw/zinc/58/94/05/721589405.db2.gz HMQAMOOZVVIOMC-HBFSDRIKSA-N 1 0 381.480 1.752 20 0 GDADRO O=C(N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001164797788 721598844 /nfs/dbraw/zinc/59/88/44/721598844.db2.gz CETLMYLIGSPFLY-BHIYHBOVSA-N 1 0 394.479 1.101 20 0 GDADRO O=C(N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@H]2COC[C@H]21)c1cnccn1 ZINC001164801018 721599183 /nfs/dbraw/zinc/59/91/83/721599183.db2.gz NODONENNCQEMBZ-UHOSZYNNSA-N 1 0 394.479 1.101 20 0 GDADRO CCOC(=O)c1ncnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1C ZINC001165011542 721739112 /nfs/dbraw/zinc/73/91/12/721739112.db2.gz QDQDMWYLXDEEBZ-UHFFFAOYSA-N 1 0 389.500 1.485 20 0 GDADRO COCCN1CCO[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]2C1=O ZINC001164921113 721844861 /nfs/dbraw/zinc/84/48/61/721844861.db2.gz MPJVPPDKYBTXRY-RBUKOAKNSA-N 1 0 388.512 1.378 20 0 GDADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc(C(N)=O)c(Cl)n1 ZINC001164923349 721849838 /nfs/dbraw/zinc/84/98/38/721849838.db2.gz ACGYFHHCFXTUFL-CHWSQXEVSA-N 1 0 387.862 1.593 20 0 GDADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)[nH]1 ZINC001164922645 721869547 /nfs/dbraw/zinc/86/95/47/721869547.db2.gz HLGOOWFXJKZAHQ-ZIAGYGMSSA-N 1 0 392.891 1.613 20 0 GDADRO Cc1cc(NC(=O)c2cccnc2N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)no1 ZINC001164933286 721877667 /nfs/dbraw/zinc/87/76/67/721877667.db2.gz LMCHREDYAMQYSN-DLBZAZTESA-N 1 0 384.484 1.845 20 0 GDADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC(C[NH+](C)C)CC1 ZINC001165042127 721946838 /nfs/dbraw/zinc/94/68/38/721946838.db2.gz NHMRPZPEGDROJC-UHFFFAOYSA-N 1 0 380.880 1.821 20 0 GDADRO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4cc(C[NH+](C)C)ccn4)CC[C@H]32)cn1 ZINC001164956627 722032103 /nfs/dbraw/zinc/03/21/03/722032103.db2.gz HTKBDGHYBOCNDC-QRVBRYPASA-N 1 0 398.511 1.148 20 0 GDADRO Cn1cnc2c1ncnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960481 722053199 /nfs/dbraw/zinc/05/31/99/722053199.db2.gz PCUPOZAQLXECJP-UHFFFAOYSA-N 1 0 393.495 1.877 20 0 GDADRO COc1nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc(N2CCCCCC2)n1 ZINC001164967188 722075389 /nfs/dbraw/zinc/07/53/89/722075389.db2.gz NCJATLDFFGCEBP-CALCHBBNSA-N 1 0 388.516 1.560 20 0 GDADRO Cn1cnc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164981494 722113058 /nfs/dbraw/zinc/11/30/58/722113058.db2.gz UGWBNEMBEUQUKK-FUHWJXTLSA-N 1 0 379.468 1.486 20 0 GDADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ncc5c(n4)CCCN5)CC[C@@H]3C2)c1 ZINC001164973969 722117709 /nfs/dbraw/zinc/11/77/09/722117709.db2.gz IEMVINNMTBBBOR-YLJYHZDGSA-N 1 0 380.496 1.957 20 0 GDADRO CCOC(=O)c1cncc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165000956 722252990 /nfs/dbraw/zinc/25/29/90/722252990.db2.gz XFMGBDQOSLPKGI-UHFFFAOYSA-N 1 0 388.472 1.338 20 0 GDADRO O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737879520 945142626 /nfs/dbraw/zinc/14/26/26/945142626.db2.gz UIUULIOHYDPQMP-ZDUSSCGKSA-N 1 0 389.891 1.876 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735875888 944709591 /nfs/dbraw/zinc/70/95/91/944709591.db2.gz SPZQGZFUHWTHFE-GOSISDBHSA-N 1 0 383.500 1.825 20 0 GDADRO CCC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)CC(=O)NC ZINC000736471403 944829078 /nfs/dbraw/zinc/82/90/78/944829078.db2.gz QCXGANCPASAMAT-UHFFFAOYSA-N 1 0 391.501 1.204 20 0 GDADRO O=C(N[C@@H]1CCN(c2cccc(F)c2-c2nn[nH]n2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001571260105 945407967 /nfs/dbraw/zinc/40/79/67/945407967.db2.gz OUFIJCLUABNFRR-KGLIPLIRSA-N 1 0 385.447 1.043 20 0 GDADRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000820342141 945418707 /nfs/dbraw/zinc/41/87/07/945418707.db2.gz UDYIJNBOPIAXFX-RHSMWYFYSA-N 1 0 387.488 1.680 20 0 GDADRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1 ZINC000820342145 945419548 /nfs/dbraw/zinc/41/95/48/945419548.db2.gz UDYIJNBOPIAXFX-YOEHRIQHSA-N 1 0 387.488 1.680 20 0 GDADRO O=C(c1csc(=O)[nH]1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571262517 945437840 /nfs/dbraw/zinc/43/78/40/945437840.db2.gz SCYGGKQTDGMHDJ-CYBMUJFWSA-N 1 0 385.453 1.423 20 0 GDADRO CC1([NH2+]C[C@@H]2C[C@]23CCOC3)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571264076 945474038 /nfs/dbraw/zinc/47/40/38/945474038.db2.gz FMWIWRGLODQDGN-DJJJIMSYSA-N 1 0 385.472 1.206 20 0 GDADRO CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCCC1 ZINC001571264642 945490151 /nfs/dbraw/zinc/49/01/51/945490151.db2.gz SRJJMDAJVQOLEC-ZOBUZTSGSA-N 1 0 385.472 1.299 20 0 GDADRO CO[C@H](C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCC1 ZINC001571264891 945494983 /nfs/dbraw/zinc/49/49/83/945494983.db2.gz ZUBBKQJJNKSJCM-PBHICJAKSA-N 1 0 385.472 1.292 20 0 GDADRO CC1(C)CN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)CC[NH2+]1 ZINC000820601720 945495781 /nfs/dbraw/zinc/49/57/81/945495781.db2.gz SNAHCCLWSJYVRF-UHFFFAOYSA-N 1 0 382.424 1.863 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1CCCOC1 ZINC001571265273 945503604 /nfs/dbraw/zinc/50/36/04/945503604.db2.gz FMSYEZBHZCCIMZ-BMFZPTHFSA-N 1 0 385.472 1.300 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC2(C1)CCC[N@H+](CC[C@H]1CCOC1)C2 ZINC001571266232 945534756 /nfs/dbraw/zinc/53/47/56/945534756.db2.gz ODHYRXQJQXVHJF-AWEZNQCLSA-N 1 0 385.472 1.159 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC2(CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001571266408 945540830 /nfs/dbraw/zinc/54/08/30/945540830.db2.gz QCJWLUWUHGWPLU-CQSZACIVSA-N 1 0 385.472 1.159 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1=COCCC1 ZINC001571268587 945600601 /nfs/dbraw/zinc/60/06/01/945600601.db2.gz IAYQDEUCYBUGKG-DRQUAOQDSA-N 1 0 386.431 1.685 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821088606 945633463 /nfs/dbraw/zinc/63/34/63/945633463.db2.gz PPLLYUDHQRJCHU-OAHLLOKOSA-N 1 0 392.529 1.304 20 0 GDADRO CC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1[NH2+]Cc1cncs1 ZINC001571271382 945643202 /nfs/dbraw/zinc/64/32/02/945643202.db2.gz BCRKHUNDWXJDHX-SMDDNHRTSA-N 1 0 386.485 1.682 20 0 GDADRO Cc1cc(C(=O)NC2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)[nH]n1 ZINC001571271696 945647846 /nfs/dbraw/zinc/64/78/46/945647846.db2.gz HLFSATVZKTYTCC-UHFFFAOYSA-N 1 0 386.485 1.791 20 0 GDADRO Cc1ccnn1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271663 945648517 /nfs/dbraw/zinc/64/85/17/945648517.db2.gz GVIJHWXMRFOEHO-CYBMUJFWSA-N 1 0 386.485 1.214 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n(C)n1 ZINC001571271666 945648967 /nfs/dbraw/zinc/64/89/67/945648967.db2.gz GXLDYLLNCOBSRB-ZWNOBZJWSA-N 1 0 386.485 1.220 20 0 GDADRO Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)sn1 ZINC001571271790 945649605 /nfs/dbraw/zinc/64/96/05/945649605.db2.gz JSVBNLFPFGCPTR-NEPJUHHUSA-N 1 0 386.485 1.743 20 0 GDADRO Cn1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001571271812 945649967 /nfs/dbraw/zinc/64/99/67/945649967.db2.gz KKRIMUPBUPJEOB-GFCCVEGCSA-N 1 0 386.485 1.304 20 0 GDADRO Cc1c[nH]c(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C(C)(C)C2)n1 ZINC001571271751 945650293 /nfs/dbraw/zinc/65/02/93/945650293.db2.gz ITJXRNXRUFLOLZ-CYBMUJFWSA-N 1 0 386.485 1.600 20 0 GDADRO CCc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)[nH]n1 ZINC001571271830 945651842 /nfs/dbraw/zinc/65/18/42/945651842.db2.gz KRUAIRQXKADSML-LLVKDONJSA-N 1 0 386.485 1.466 20 0 GDADRO CCn1ccnc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271860 945652981 /nfs/dbraw/zinc/65/29/81/945652981.db2.gz LCCFIAQCSWCNCE-GFCCVEGCSA-N 1 0 386.485 1.491 20 0 GDADRO Cc1ncsc1C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571272114 945655902 /nfs/dbraw/zinc/65/59/02/945655902.db2.gz PQRYTOWJALULSX-GFCCVEGCSA-N 1 0 386.485 1.744 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n1C ZINC001571272481 945664243 /nfs/dbraw/zinc/66/42/43/945664243.db2.gz UGSLUJOGSWSUOI-LBPRGKRZSA-N 1 0 386.485 1.222 20 0 GDADRO CC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1[NH2+]Cc1ccns1 ZINC001571272615 945667515 /nfs/dbraw/zinc/66/75/15/945667515.db2.gz XLBIITDRVOEALL-SMDDNHRTSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1C[NH2+]Cc1ccns1 ZINC001571272760 945671962 /nfs/dbraw/zinc/67/19/62/945671962.db2.gz ZODWIMBODAKZAM-NHYWBVRUSA-N 1 0 386.485 1.682 20 0 GDADRO COC(=O)/C(C)=C\C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821639135 945765932 /nfs/dbraw/zinc/76/59/32/945765932.db2.gz QJWNZPUOPDYMAA-MLPAPPSSSA-N 1 0 384.440 1.637 20 0 GDADRO O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571281400 945803614 /nfs/dbraw/zinc/80/36/14/945803614.db2.gz HYKBRKLOMYJFAC-KBPBESRZSA-N 1 0 387.463 1.941 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000821690036 945816193 /nfs/dbraw/zinc/81/61/93/945816193.db2.gz WRSIZTBJTZSQBQ-KSSFIOAISA-N 1 0 399.499 1.507 20 0 GDADRO Cc1nn[nH]c1C(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571282373 945842842 /nfs/dbraw/zinc/84/28/42/945842842.db2.gz WNJNFWOHLRDDQY-QWRGUYRKSA-N 1 0 387.473 1.186 20 0 GDADRO O=C(NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[C@@H]1Cc2ccccc21 ZINC001571282978 945869175 /nfs/dbraw/zinc/86/91/75/945869175.db2.gz XGERWXDAFSNQQX-AHCXZYCDSA-N 1 0 387.447 1.400 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282964 945870487 /nfs/dbraw/zinc/87/04/87/945870487.db2.gz WSFNOFHYBASKET-CJNGLKHVSA-N 1 0 387.463 1.038 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)C1 ZINC001571283700 945889514 /nfs/dbraw/zinc/88/95/14/945889514.db2.gz HEAUDYCBLINETF-LBPRGKRZSA-N 1 0 387.831 1.558 20 0 GDADRO CO[C@@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001571284442 945903073 /nfs/dbraw/zinc/90/30/73/945903073.db2.gz QQLCOHOMBFSYND-KBPBESRZSA-N 1 0 387.488 1.546 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC001571284681 945905454 /nfs/dbraw/zinc/90/54/54/945905454.db2.gz SOBWLQUAKTYFHF-PVUWLOKVSA-N 1 0 387.488 1.329 20 0 GDADRO C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001571284650 945905595 /nfs/dbraw/zinc/90/55/95/945905595.db2.gz SABMQSKJASPPQM-XJKSGUPXSA-N 1 0 387.488 1.594 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](CCC[C@H]2CCOC2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571284896 945908372 /nfs/dbraw/zinc/90/83/72/945908372.db2.gz WEPWYXYBDGHYKV-GOEBONIOSA-N 1 0 387.488 1.596 20 0 GDADRO CC(=O)NC(C)(C)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573462895 945946415 /nfs/dbraw/zinc/94/64/15/945946415.db2.gz OFZMHNZNEIMVLR-MRXNPFEDSA-N 1 0 387.488 1.012 20 0 GDADRO O=C(C[C@@H]1CCOC1)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571287389 945970645 /nfs/dbraw/zinc/97/06/45/945970645.db2.gz CODSFNJOOBRUMA-ZDUSSCGKSA-N 1 0 388.447 1.513 20 0 GDADRO CO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571287608 945974978 /nfs/dbraw/zinc/97/49/78/945974978.db2.gz GBZXTBZXJWYJMO-DQYPLSBCSA-N 1 0 388.447 1.606 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@H]1CCCOC1 ZINC001571287621 945975155 /nfs/dbraw/zinc/97/51/55/945975155.db2.gz GGVZKUSWYJSEMW-NOLJZWGESA-N 1 0 388.447 1.417 20 0 GDADRO O=C(C[C@H]1CCCOC1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287604 945975706 /nfs/dbraw/zinc/97/57/06/945975706.db2.gz FWNTZJOPAXWSNJ-CZUORRHYSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]1CO[C@@H](C(=O)NC2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001571288933 945995635 /nfs/dbraw/zinc/99/56/35/945995635.db2.gz USRKAPUFMMWUAT-SJKOYZFVSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H]1CO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571288918 945996491 /nfs/dbraw/zinc/99/64/91/945996491.db2.gz ULTQZAZRLVFUBM-PLNCSYRRSA-N 1 0 388.447 1.415 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571289247 945997708 /nfs/dbraw/zinc/99/77/08/945997708.db2.gz YAIRKJQSKBDFCG-OIISXLGYSA-N 1 0 388.447 1.511 20 0 GDADRO Cc1nonc1C(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289518 946009272 /nfs/dbraw/zinc/00/92/72/946009272.db2.gz GPDKAYREWMXSDB-QWRGUYRKSA-N 1 0 388.457 1.450 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001571289501 946009591 /nfs/dbraw/zinc/00/95/91/946009591.db2.gz GCDLDIPXFPAVDY-KFWWJZLASA-N 1 0 388.497 1.673 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)CC[N@@H+]1C ZINC001571289634 946011920 /nfs/dbraw/zinc/01/19/20/946011920.db2.gz JCVHLZHJUDHXEM-IMIFBBOLSA-N 1 0 388.451 1.190 20 0 GDADRO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000822431659 946088213 /nfs/dbraw/zinc/08/82/13/946088213.db2.gz DSGDQFCFPBTMEE-QAPCUYQASA-N 1 0 382.472 1.521 20 0 GDADRO Cc1sc(NC(=O)CN2CCC([NH2+]C(C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000822557051 946124056 /nfs/dbraw/zinc/12/40/56/946124056.db2.gz GEPYMANBBKHVIQ-UHFFFAOYSA-N 1 0 377.518 1.946 20 0 GDADRO 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CO[C@H](C)C(=O)N1CCC(C[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571297830 946198667 /nfs/dbraw/zinc/19/86/67/946198667.db2.gz AOGXSYZMWKLNML-CYBMUJFWSA-N 1 0 390.463 1.711 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571298108 946206806 /nfs/dbraw/zinc/20/68/06/946206806.db2.gz JSHMNBOLJNDLEA-AVNILIAZSA-N 1 0 390.491 1.705 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)NCC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573482958 946207101 /nfs/dbraw/zinc/20/71/01/946207101.db2.gz CJKVYNHQZWJZDX-SUMWQHHRSA-N 1 0 387.488 1.012 20 0 GDADRO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cc(C)[nH+]cc2-c2nn[nH]n2)cn1 ZINC001571298396 946216874 /nfs/dbraw/zinc/21/68/74/946216874.db2.gz GCHXWRLPCWRCRP-IYBDPMFKSA-N 1 0 390.451 1.767 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C1 ZINC001571298520 946218942 /nfs/dbraw/zinc/21/89/42/946218942.db2.gz ABUJFRNBHBHFCI-OLZOCXBDSA-N 1 0 390.517 1.201 20 0 GDADRO CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C1 ZINC001571298847 946229663 /nfs/dbraw/zinc/22/96/63/946229663.db2.gz FHKLSRCYZYFUOJ-CHWSQXEVSA-N 1 0 390.517 1.153 20 0 GDADRO CC(C)[C@H](C(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001571299235 946242394 /nfs/dbraw/zinc/24/23/94/946242394.db2.gz UYXSHFBTSLNFQX-UKRRQHHQSA-N 1 0 390.467 1.390 20 0 GDADRO C[C@H]1CO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001571299334 946245099 /nfs/dbraw/zinc/24/50/99/946245099.db2.gz KZGODLZQIRICFE-BHPKHCPMSA-N 1 0 390.513 1.870 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)c3ccnc(C4CC4)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571299769 946262329 /nfs/dbraw/zinc/26/23/29/946262329.db2.gz UIBXRKBPAHZRDR-OAHLLOKOSA-N 1 0 390.451 1.851 20 0 GDADRO C[C@@](O)(CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001571300103 946272236 /nfs/dbraw/zinc/27/22/36/946272236.db2.gz UXSUZGSLKFNGGE-KZULUSFZSA-N 1 0 390.513 1.417 20 0 GDADRO COc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)SC)C2)cc1-c1nn[nH]n1 ZINC001571300174 946274905 /nfs/dbraw/zinc/27/49/05/946274905.db2.gz WGKLIVQBUSTGHR-TZMCWYRMSA-N 1 0 390.513 1.660 20 0 GDADRO Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncccc2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571300146 946276417 /nfs/dbraw/zinc/27/64/17/946276417.db2.gz ZUMDGFKLACNAED-GASCZTMLSA-N 1 0 390.451 1.767 20 0 GDADRO CO[C@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571300327 946280546 /nfs/dbraw/zinc/28/05/46/946280546.db2.gz ZUCKMDLHLBHOQT-CABCVRRESA-N 1 0 390.513 1.824 20 0 GDADRO O=C(c1cccnn1)N1CC[C@@]2(C1)CCCN(c1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001571303291 946331519 /nfs/dbraw/zinc/33/15/19/946331519.db2.gz OAXWJXOVYLWLOO-IBGZPJMESA-N 1 0 391.439 1.184 20 0 GDADRO O=C([C@@H]1Cc2ccccc2O1)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571303588 946342241 /nfs/dbraw/zinc/34/22/41/946342241.db2.gz NVKJWLVQDCRNBP-SFHVURJKSA-N 1 0 391.435 1.090 20 0 GDADRO COc1ccccc1CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571304063 946358495 /nfs/dbraw/zinc/35/84/95/946358495.db2.gz XBBYYYNIVLVCRY-QWHZDKJVSA-N 1 0 391.435 1.064 20 0 GDADRO C[C@@]1(NC(=O)c2csc(=O)[nH]2)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571305898 946378540 /nfs/dbraw/zinc/37/85/40/946378540.db2.gz NFPUJMQJUUYKRU-OAHLLOKOSA-N 1 0 391.482 1.485 20 0 GDADRO Cc1cncc(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001571306459 946400141 /nfs/dbraw/zinc/40/01/41/946400141.db2.gz LBNKZTCAZUEGDZ-LJQANCHMSA-N 1 0 391.479 1.893 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CC2(F)F)cc1-c1nn[nH]n1 ZINC001571307526 946423017 /nfs/dbraw/zinc/42/30/17/946423017.db2.gz DESRVUKMOLOFCS-JSGCOSHPSA-N 1 0 392.410 1.611 20 0 GDADRO O=C(N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@@]1(F)CCOC1 ZINC001571308058 946429595 /nfs/dbraw/zinc/42/95/95/946429595.db2.gz KVIRJNVGJJGSJV-KBXCAEBGSA-N 1 0 392.410 1.215 20 0 GDADRO O=C1[C@@H](N2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823503762 946440208 /nfs/dbraw/zinc/44/02/08/946440208.db2.gz IOENORPCFLLZCI-SFHVURJKSA-N 1 0 390.451 1.189 20 0 GDADRO O=C(NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1coc(C2CC2)n1 ZINC001571309828 946456012 /nfs/dbraw/zinc/45/60/12/946456012.db2.gz MAQVVUIVYBBYOX-DEZZGGKRSA-N 1 0 392.423 1.239 20 0 GDADRO OCCCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000823717863 946470955 /nfs/dbraw/zinc/47/09/55/946470955.db2.gz MCZSAOQDZSJVIA-UHFFFAOYSA-N 1 0 389.410 1.588 20 0 GDADRO C[C@H]1CN(C(=O)COc2ccccc2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571311446 946487545 /nfs/dbraw/zinc/48/75/45/946487545.db2.gz XPSBQPBDIJKNPQ-KXBFYZLASA-N 1 0 392.463 1.882 20 0 GDADRO CC(=O)NCc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC001571311469 946487914 /nfs/dbraw/zinc/48/79/14/946487914.db2.gz YHJHMPLRKSXOPF-UHFFFAOYSA-N 1 0 392.467 1.220 20 0 GDADRO CCc1ncncc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C ZINC001571312721 946501235 /nfs/dbraw/zinc/50/12/35/946501235.db2.gz BQLFWMVNSNIPCE-ACJLOTCBSA-N 1 0 392.467 1.612 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001571313300 946517458 /nfs/dbraw/zinc/51/74/58/946517458.db2.gz MBWJJEOIIBDJRW-SJCJKPOMSA-N 1 0 392.467 1.860 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001571313805 946532250 /nfs/dbraw/zinc/53/22/50/946532250.db2.gz WOSRRJYRCZBTNI-HNNXBMFYSA-N 1 0 392.467 1.641 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)c3ccc(C)c(C)n3)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314723 946543328 /nfs/dbraw/zinc/54/33/28/946543328.db2.gz BGGKFPLKLFUKRF-ZBFHGGJFSA-N 1 0 392.467 1.979 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nc1C ZINC001571315584 946555529 /nfs/dbraw/zinc/55/55/29/946555529.db2.gz LXBBENBOCXUKRS-CABCVRRESA-N 1 0 392.467 1.658 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)[C@H]2C)nn1 ZINC001571316068 946562982 /nfs/dbraw/zinc/56/29/82/946562982.db2.gz SYADUNMUVUKQQI-WMLDXEAASA-N 1 0 392.467 1.748 20 0 GDADRO Cc1cc[nH]c1C(=O)N[C@]12CCC[C@H]1CN(c1cc(C)[nH+]cc1-c1nn[nH]n1)C2 ZINC001571316270 946570827 /nfs/dbraw/zinc/57/08/27/946570827.db2.gz YAMPWNFQZRCKSS-XOBRGWDASA-N 1 0 392.467 1.996 20 0 GDADRO Cc1ncncc1C(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316527 946578593 /nfs/dbraw/zinc/57/85/93/946578593.db2.gz FQEAUHJBHHGMMC-GUYCJALGSA-N 1 0 392.467 1.463 20 0 GDADRO O=C(CCn1ccnc1)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571316500 946579945 /nfs/dbraw/zinc/57/99/45/946579945.db2.gz DQLHFTYNMSDYJR-FUHWJXTLSA-N 1 0 392.467 1.186 20 0 GDADRO O=C(NC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)c1ccncn1 ZINC001571316484 946579973 /nfs/dbraw/zinc/57/99/73/946579973.db2.gz DKLPAOBNWPYMIS-INIZCTEOSA-N 1 0 392.467 1.831 20 0 GDADRO Cc1ccn(C)c1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001571316654 946584567 /nfs/dbraw/zinc/58/45/67/946584567.db2.gz JGKIVZDJQOWEDH-CVEARBPZSA-N 1 0 392.467 1.484 20 0 GDADRO Cn1cc(C(=O)N[C@@H]2CC23CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC3)cn1 ZINC001571316652 946584582 /nfs/dbraw/zinc/58/45/82/946584582.db2.gz JGAYKBJEVJGYTF-QGZVFWFLSA-N 1 0 392.467 1.385 20 0 GDADRO Cc1cnc(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571316844 946590220 /nfs/dbraw/zinc/59/02/20/946590220.db2.gz OANQWCYIPQOKAS-DYVFJYSZSA-N 1 0 392.467 1.463 20 0 GDADRO CC(C)(C)[S@@](=O)CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824123282 946595455 /nfs/dbraw/zinc/59/54/55/946595455.db2.gz BMYWGTIGFINWJP-MHZLTWQESA-N 1 0 390.557 1.968 20 0 GDADRO Cc1nnccc1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317116 946599565 /nfs/dbraw/zinc/59/95/65/946599565.db2.gz VQCWJEYSUJPXPV-KRWDZBQOSA-N 1 0 392.467 1.702 20 0 GDADRO O=C(c1ccnnc1)N1CCCCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317465 946611255 /nfs/dbraw/zinc/61/12/55/946611255.db2.gz JENZXIGYXVVGCQ-SFHVURJKSA-N 1 0 392.467 1.831 20 0 GDADRO O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317449 946612005 /nfs/dbraw/zinc/61/20/05/946612005.db2.gz IMSSAQJQKJXGCX-MRXNPFEDSA-N 1 0 392.467 1.862 20 0 GDADRO O=C(c1n[nH]c2c1CCCC2)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317547 946614037 /nfs/dbraw/zinc/61/40/37/946614037.db2.gz MAFJFMAHIXFWLN-HNNXBMFYSA-N 1 0 392.467 1.473 20 0 GDADRO O=C(CC1OCCCO1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571317671 946616897 /nfs/dbraw/zinc/61/68/97/946616897.db2.gz QKMVYAKICFQNED-GFCCVEGCSA-N 1 0 392.485 1.162 20 0 GDADRO Brc1cccc(-c2nn[nH]n2)c1N1CC([NH2+]C2CCOCC2)C1 ZINC001573279637 946646525 /nfs/dbraw/zinc/64/65/25/946646525.db2.gz LEZGIZQMGWCEOB-UHFFFAOYSA-N 1 0 379.262 1.586 20 0 GDADRO C[C@H](CN1CCCC1=O)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824412529 946693291 /nfs/dbraw/zinc/69/32/91/946693291.db2.gz AIHBBPLAWXGJFT-OAHLLOKOSA-N 1 0 383.500 1.432 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000824414328 946701157 /nfs/dbraw/zinc/70/11/57/946701157.db2.gz ZJTQJSXSLVSTPD-CQSZACIVSA-N 1 0 386.481 1.666 20 0 GDADRO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573537689 946754736 /nfs/dbraw/zinc/75/47/36/946754736.db2.gz JGBYHMNOMBBGMC-GUYCJALGSA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)N[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC001573541561 946788254 /nfs/dbraw/zinc/78/82/54/946788254.db2.gz RNNMZRZHNPTZTQ-MLGOLLRUSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H](C)N1CCOCC1 ZINC000824548075 946789813 /nfs/dbraw/zinc/78/98/13/946789813.db2.gz VAKKHKRJKBQAMS-SJORKVTESA-N 1 0 399.543 1.530 20 0 GDADRO CC(=O)N[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573541907 946791076 /nfs/dbraw/zinc/79/10/76/946791076.db2.gz XUTCIIAAAUWEDW-MLGOLLRUSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824598773 946849755 /nfs/dbraw/zinc/84/97/55/946849755.db2.gz IOIUYWLXIQREJD-AWEZNQCLSA-N 1 0 386.481 1.637 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000824612538 946862885 /nfs/dbraw/zinc/86/28/85/946862885.db2.gz NIQPYDGMVMHIDN-SNVBAGLBSA-N 1 0 376.417 1.504 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000824708516 946907495 /nfs/dbraw/zinc/90/74/95/946907495.db2.gz YBRQCWLDQAZDFX-CABCVRRESA-N 1 0 396.499 1.154 20 0 GDADRO CC1(C)COCCN1CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824811800 946939337 /nfs/dbraw/zinc/93/93/37/946939337.db2.gz CQFSUFJPMJPKSM-UHFFFAOYSA-N 1 0 399.543 1.532 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824978819 947020417 /nfs/dbraw/zinc/02/04/17/947020417.db2.gz YBSSHAOKYQDLIQ-PBHICJAKSA-N 1 0 384.488 1.356 20 0 GDADRO C[C@H]1COc2ccccc2C[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825006917 947039701 /nfs/dbraw/zinc/03/97/01/947039701.db2.gz SNDISLQVWQKINI-WMLDXEAASA-N 1 0 381.436 1.890 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573586618 947290622 /nfs/dbraw/zinc/29/06/22/947290622.db2.gz RYCGKVDVSQVGMQ-UONOGXRCSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](CNc1cncc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573586585 947292012 /nfs/dbraw/zinc/29/20/12/947292012.db2.gz REXXXMZNCJTFGO-ZIAGYGMSSA-N 1 0 387.492 1.180 20 0 GDADRO CC(C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)=C1CCC1 ZINC001573592600 947343416 /nfs/dbraw/zinc/34/34/16/947343416.db2.gz LCOOBDWQQLCESF-GOSISDBHSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccco1 ZINC001573594829 947407822 /nfs/dbraw/zinc/40/78/22/947407822.db2.gz CTDCGPPQBRGCAY-NEPJUHHUSA-N 1 0 390.469 1.234 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc3[nH]ccc3c2)c1-c1nn[nH]n1 ZINC000826077774 947424063 /nfs/dbraw/zinc/42/40/63/947424063.db2.gz VJWUVKXBNJBSNU-UHFFFAOYSA-N 1 0 393.455 1.794 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826134318 947448272 /nfs/dbraw/zinc/44/82/72/947448272.db2.gz UYJIXNWLDYCTLW-URLQWDBASA-N 1 0 389.456 1.318 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC001573599598 947458287 /nfs/dbraw/zinc/45/82/87/947458287.db2.gz YOZOBPDVMIVROP-XJKSGUPXSA-N 1 0 384.440 1.172 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573602997 947475607 /nfs/dbraw/zinc/47/56/07/947475607.db2.gz IKPATOHIYOCIPO-AWEZNQCLSA-N 1 0 382.472 1.294 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccn1 ZINC001573604476 947510722 /nfs/dbraw/zinc/51/07/22/947510722.db2.gz UWIMCOATJSSRDU-ZDUSSCGKSA-N 1 0 386.435 1.354 20 0 GDADRO COc1cccc(N2CC[C@H]([NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)c1 ZINC000826216592 947633440 /nfs/dbraw/zinc/63/34/40/947633440.db2.gz GBVQYNXAXSZTHU-HNNXBMFYSA-N 1 0 390.451 1.892 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(F)(F)F ZINC001573619834 947671646 /nfs/dbraw/zinc/67/16/46/947671646.db2.gz YESJIURAGXRJDM-ONGXEEELSA-N 1 0 386.353 1.895 20 0 GDADRO Cc1c(Cl)cnc(NC2CC[NH+](CC(=O)N(C)C)CC2)c1-c1nn[nH]n1 ZINC000826238646 947702537 /nfs/dbraw/zinc/70/25/37/947702537.db2.gz LUHXUPGWPFHBCM-UHFFFAOYSA-N 1 0 378.868 1.188 20 0 GDADRO C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573628022 947743868 /nfs/dbraw/zinc/74/38/68/947743868.db2.gz FGNWVIVUBFTCQQ-PBHICJAKSA-N 1 0 380.456 1.405 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1C ZINC001573369858 947777842 /nfs/dbraw/zinc/77/78/42/947777842.db2.gz YMHFRBWJSUBDGX-AAEUAGOBSA-N 1 0 376.486 1.767 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573369849 947778018 /nfs/dbraw/zinc/77/80/18/947778018.db2.gz YCHQYYDADFTQGX-DOMZBBRYSA-N 1 0 385.472 1.258 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573372788 947781507 /nfs/dbraw/zinc/78/15/07/947781507.db2.gz CLWWYVQEHXKRON-ZDUSSCGKSA-N 1 0 376.486 1.768 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001573373125 947788565 /nfs/dbraw/zinc/78/85/65/947788565.db2.gz AZSQRGRGCOWDAB-HOTGVXAUSA-N 1 0 383.456 1.282 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001573374114 947805347 /nfs/dbraw/zinc/80/53/47/947805347.db2.gz MNORZMUSTVWOHO-KDOFPFPSSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1CC[C@@H](C)N(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573374632 947812255 /nfs/dbraw/zinc/81/22/55/947812255.db2.gz KOMCOMBTQJXDGG-HIFRSBDPSA-N 1 0 385.472 1.803 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573376268 947834832 /nfs/dbraw/zinc/83/48/32/947834832.db2.gz XASWHGWMABREFJ-CXAGYDPISA-N 1 0 385.472 1.482 20 0 GDADRO CC(=O)CCCC(=O)N1CCC(N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573376369 947836595 /nfs/dbraw/zinc/83/65/95/947836595.db2.gz ZKRXUAHCQMRGTP-UHFFFAOYSA-N 1 0 385.472 1.757 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826293069 947851532 /nfs/dbraw/zinc/85/15/32/947851532.db2.gz ZHWAMWWWFFIYSG-AWEZNQCLSA-N 1 0 386.481 1.804 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573640935 947855290 /nfs/dbraw/zinc/85/52/90/947855290.db2.gz KGCZNRZOWBHBOQ-JOYOIKCWSA-N 1 0 386.353 1.895 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)n1cccn1 ZINC001573646883 947880095 /nfs/dbraw/zinc/88/00/95/947880095.db2.gz YFMJHNMNIHCNFW-OCCSQVGLSA-N 1 0 384.419 1.154 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[nH]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573647587 947898629 /nfs/dbraw/zinc/89/86/29/947898629.db2.gz PQHKETMEWXZRBP-IJEWVQPXSA-N 1 0 399.503 1.180 20 0 GDADRO CC(=O)CCCC(=O)N[C@H](C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573384821 947909192 /nfs/dbraw/zinc/90/91/92/947909192.db2.gz XUEYQYIYHHESDK-CQSZACIVSA-N 1 0 385.472 1.742 20 0 GDADRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826329349 947959680 /nfs/dbraw/zinc/95/96/80/947959680.db2.gz ZHFZGHZAZOGOJG-MRXNPFEDSA-N 1 0 390.455 1.272 20 0 GDADRO Cc1nnc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000826335148 947969625 /nfs/dbraw/zinc/96/96/25/947969625.db2.gz ATBRKUQJNUDPOV-UHFFFAOYSA-N 1 0 384.469 1.375 20 0 GDADRO Cc1onc(CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826343090 947985357 /nfs/dbraw/zinc/98/53/57/947985357.db2.gz LSZCRYFIXNQJCE-HNNXBMFYSA-N 1 0 381.440 1.439 20 0 GDADRO C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573664290 948051243 /nfs/dbraw/zinc/05/12/43/948051243.db2.gz SWXVMUHEMPMNKT-BZOOQXSSSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@H](C(=O)NC1(CO)CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573664294 948051829 /nfs/dbraw/zinc/05/18/29/948051829.db2.gz SXEVIGVWCKOEIT-AWEZNQCLSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573670681 948103162 /nfs/dbraw/zinc/10/31/62/948103162.db2.gz CVKZTXJLMXQBKG-CXAGYDPISA-N 1 0 380.456 1.094 20 0 GDADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCOc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826359712 948118898 /nfs/dbraw/zinc/11/88/98/948118898.db2.gz OQVBEJWGBNXGJX-FUHWJXTLSA-N 1 0 383.456 1.567 20 0 GDADRO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388698 948195948 /nfs/dbraw/zinc/19/59/48/948195948.db2.gz HGZWJKHZRUUNBN-NVXWUHKLSA-N 1 0 397.870 1.915 20 0 GDADRO CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573434283 948211840 /nfs/dbraw/zinc/21/18/40/948211840.db2.gz PQKLQMSWASPEEB-WCQYABFASA-N 1 0 383.378 1.451 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCC1)[C@@H]1CCCO1 ZINC001573690834 948230712 /nfs/dbraw/zinc/23/07/12/948230712.db2.gz BXOVFMMEAYAULM-OCCSQVGLSA-N 1 0 390.513 1.872 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1)n1cccc1 ZINC001573691173 948237031 /nfs/dbraw/zinc/23/70/31/948237031.db2.gz DLUGTBMRZVEWGG-CYBMUJFWSA-N 1 0 383.431 1.807 20 0 GDADRO O=C(C[NH2+]C1(CO)CCCCC1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000826412111 948249720 /nfs/dbraw/zinc/24/97/20/948249720.db2.gz BOEIAPAQQSETPB-UHFFFAOYSA-N 1 0 396.455 1.276 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)c1cnn(C)c1 ZINC001573693246 948278902 /nfs/dbraw/zinc/27/89/02/948278902.db2.gz VVNZDDZZUNSJHQ-ZDUSSCGKSA-N 1 0 380.456 1.142 20 0 GDADRO O=C1[C@H](N2CC[N@@H+]3CCCC[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477300 948387898 /nfs/dbraw/zinc/38/78/98/948387898.db2.gz ZKAURBKWWMTIFC-ZWKOTPCHSA-N 1 0 381.484 1.532 20 0 GDADRO C[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(F)(F)F ZINC001573706438 948419239 /nfs/dbraw/zinc/41/92/39/948419239.db2.gz JHYQEQPRPHYAPQ-VMZHVLLKSA-N 1 0 386.353 1.966 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573709035 948465062 /nfs/dbraw/zinc/46/50/62/948465062.db2.gz ZKUCQNFLMPGKRP-HOCLYGCPSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@@H](C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573713804 948468031 /nfs/dbraw/zinc/46/80/31/948468031.db2.gz BUFBEBARIMHENM-UONOGXRCSA-N 1 0 381.444 1.052 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573714018 948469598 /nfs/dbraw/zinc/46/95/98/948469598.db2.gz CQLSQMZAFMMJOT-LRDDRELGSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573715286 948488431 /nfs/dbraw/zinc/48/84/31/948488431.db2.gz SNCGULSKHZNSLC-WDEREUQCSA-N 1 0 383.378 1.793 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CC1)[C@@H]1CCCO1 ZINC001573721562 948539841 /nfs/dbraw/zinc/53/98/41/948539841.db2.gz YJQLAWVTJHUBLR-DOMZBBRYSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cccnc1 ZINC001573732060 948599903 /nfs/dbraw/zinc/59/99/03/948599903.db2.gz KPCBUBZDVMEUCB-QWHCGFSZSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1)c1cccnc1 ZINC001573736089 948612518 /nfs/dbraw/zinc/61/25/18/948612518.db2.gz HQWGUFFHDOUMCF-MORSLUCNSA-N 1 0 392.467 1.722 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1cccs1 ZINC001573755180 948757612 /nfs/dbraw/zinc/75/76/12/948757612.db2.gz BQWFDECPOJKEME-KBNOKHGBSA-N 1 0 381.465 1.678 20 0 GDADRO C[C@H](CNC(=O)CCc1ccccn1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574915163 948763784 /nfs/dbraw/zinc/76/37/84/948763784.db2.gz RSEAUNLURZIVPQ-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO CC(C)c1ccccc1C[NH2+][C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574419835 948790821 /nfs/dbraw/zinc/79/08/21/948790821.db2.gz KGJYOTNNIZBOBR-AWEZNQCLSA-N 1 0 383.456 1.199 20 0 GDADRO CC(C)[C@H](F)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574081133 948817762 /nfs/dbraw/zinc/81/77/62/948817762.db2.gz QPDYHOKPPUADRJ-PJODQICGSA-N 1 0 378.427 1.984 20 0 GDADRO CC(F)(F)CC(=O)NC[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575229107 948837740 /nfs/dbraw/zinc/83/77/40/948837740.db2.gz BIHJRICWUDDWIN-NSHDSACASA-N 1 0 382.390 1.989 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001574918481 948846268 /nfs/dbraw/zinc/84/62/68/948846268.db2.gz LGZFEHDITOFPTP-HNNXBMFYSA-N 1 0 386.504 1.692 20 0 GDADRO C[C@@H](CNC(=O)CCCc1ccccn1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574918513 948850103 /nfs/dbraw/zinc/85/01/03/948850103.db2.gz LZHASPZMJFJAMD-AWEZNQCLSA-N 1 0 380.456 1.621 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001573762387 948856435 /nfs/dbraw/zinc/85/64/35/948856435.db2.gz VPXKDIUQMWZIFJ-CQSZACIVSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H](CNC(=O)CCCn1cccc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574919018 948870384 /nfs/dbraw/zinc/87/03/84/948870384.db2.gz UHLLPSRKKJQSCO-CQSZACIVSA-N 1 0 385.447 1.882 20 0 GDADRO C[C@H](CNC(=O)CCc1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920049 948883087 /nfs/dbraw/zinc/88/30/87/948883087.db2.gz AWDONVMXRXNLEM-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CNC(=O)CCc1ncccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574920016 948883282 /nfs/dbraw/zinc/88/32/82/948883282.db2.gz AHAZGZKHYLMLSB-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@H](CNC(=O)CCc1nccs1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574920168 948892560 /nfs/dbraw/zinc/89/25/60/948892560.db2.gz DXAJVNOPOIZPNQ-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCO1 ZINC001574088325 948916157 /nfs/dbraw/zinc/91/61/57/948916157.db2.gz AWTZSRRHZQKUKF-AYMQEEERSA-N 1 0 385.472 1.194 20 0 GDADRO CC(C)[C@H](C(=O)N[C@H](C)CCNc1ncc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001574686438 948936148 /nfs/dbraw/zinc/93/61/48/948936148.db2.gz JGBLBSMHVDSQJJ-BXUZGUMPSA-N 1 0 378.456 1.294 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573772030 948950320 /nfs/dbraw/zinc/95/03/20/948950320.db2.gz OTMNQRPWCWMKLK-CQSZACIVSA-N 1 0 384.488 1.221 20 0 GDADRO CC(F)(F)CCC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001575242864 948990477 /nfs/dbraw/zinc/99/04/77/948990477.db2.gz LQKAHNMNWGAFEJ-HAQNSBGRSA-N 1 0 379.415 1.958 20 0 GDADRO C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H](C)Oc1cccnc1 ZINC001575501352 949007301 /nfs/dbraw/zinc/00/73/01/949007301.db2.gz HFIVZZSJPAWKRW-ZIAGYGMSSA-N 1 0 381.440 1.324 20 0 GDADRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573774483 949007311 /nfs/dbraw/zinc/00/73/11/949007311.db2.gz SIAGKTXFMKIQQO-HNNXBMFYSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001575244171 949011428 /nfs/dbraw/zinc/01/14/28/949011428.db2.gz WTWLMLBQIHCTPY-UGSOOPFHSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575502198 949018687 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QNGIDKOPQAMHIJ-CYBMUJFWSA-N 1 0 387.492 1.180 20 0 GDADRO CC(C)c1nocc1C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001574441866 949079839 /nfs/dbraw/zinc/07/98/39/949079839.db2.gz DDATTYAIYSZGML-HNNXBMFYSA-N 1 0 384.444 1.662 20 0 GDADRO C[C@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574931362 949117425 /nfs/dbraw/zinc/11/74/25/949117425.db2.gz OROGWAHJBZOIPM-CYBMUJFWSA-N 1 0 390.463 1.949 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574446284 949127869 /nfs/dbraw/zinc/12/78/69/949127869.db2.gz MXGYDTRJESNOEC-OAHLLOKOSA-N 1 0 384.440 1.464 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1c[nH]cn1 ZINC001573782826 949131663 /nfs/dbraw/zinc/13/16/63/949131663.db2.gz LEBIOHIJXJVWKN-OAHLLOKOSA-N 1 0 380.456 1.258 20 0 GDADRO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575511634 949135105 /nfs/dbraw/zinc/13/51/05/949135105.db2.gz KPJMKQACUKOXCQ-GUYCJALGSA-N 1 0 383.456 1.021 20 0 GDADRO CC(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574098899 949171198 /nfs/dbraw/zinc/17/11/98/949171198.db2.gz HGRAISSUSWYZMT-OAHLLOKOSA-N 1 0 378.452 1.303 20 0 GDADRO C[C@@H](CNC(=O)COc1ccc(Cl)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934915 949183963 /nfs/dbraw/zinc/18/39/63/949183963.db2.gz UWVOMWXHYPAWEW-NSHDSACASA-N 1 0 387.831 1.333 20 0 GDADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575515657 949189004 /nfs/dbraw/zinc/18/90/04/949189004.db2.gz JOTFNJGFBPABCP-DJJJIMSYSA-N 1 0 381.440 1.123 20 0 GDADRO C[C@@H](CNC(=O)COc1ccc(F)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574935093 949190617 /nfs/dbraw/zinc/19/06/17/949190617.db2.gz YVWLZTYGPPLIST-ZDUSSCGKSA-N 1 0 384.415 1.679 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1F)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001575254489 949205243 /nfs/dbraw/zinc/20/52/43/949205243.db2.gz WKMIMFDCKGKJEE-NEPJUHHUSA-N 1 0 390.467 1.580 20 0 GDADRO C[C@@H](c1cnccn1)[NH+]1CCC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575516914 949217496 /nfs/dbraw/zinc/21/74/96/949217496.db2.gz RPEABRAIQPSDOD-LBPRGKRZSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574937230 949221869 /nfs/dbraw/zinc/22/18/69/949221869.db2.gz MXGMTHIXCQEAIJ-JTQLQIEISA-N 1 0 389.822 1.635 20 0 GDADRO CC(C)c1scnc1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574451326 949226803 /nfs/dbraw/zinc/22/68/03/949226803.db2.gz MNRGIDIRWSXROR-LLVKDONJSA-N 1 0 384.469 1.590 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001575255344 949226992 /nfs/dbraw/zinc/22/69/92/949226992.db2.gz ZGBXFRIHTIQRKO-CHWSQXEVSA-N 1 0 387.492 1.226 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574937684 949229830 /nfs/dbraw/zinc/22/98/30/949229830.db2.gz POZNPDHMARSAHX-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC001575854433 949232696 /nfs/dbraw/zinc/23/26/96/949232696.db2.gz WVSOXAKHCIOFML-AWEZNQCLSA-N 1 0 385.472 1.293 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC001575854641 949238669 /nfs/dbraw/zinc/23/86/69/949238669.db2.gz YQNNJPQGZGBEHO-CQSZACIVSA-N 1 0 385.472 1.436 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574699436 949239450 /nfs/dbraw/zinc/23/94/50/949239450.db2.gz UWBWXFJNHPGVJL-VXGBXAGGSA-N 1 0 388.501 1.402 20 0 GDADRO CC(C)n1cc(C(=O)NCC[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)cn1 ZINC001574451931 949247113 /nfs/dbraw/zinc/24/71/13/949247113.db2.gz AYTQPZUQJHYSTN-UHFFFAOYSA-N 1 0 386.435 1.645 20 0 GDADRO C[C@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575257311 949273804 /nfs/dbraw/zinc/27/38/04/949273804.db2.gz ZRLCOUUMIQRTOE-KBPBESRZSA-N 1 0 377.452 1.721 20 0 GDADRO CC(C)CC(=O)N1CCC[C@@H]([N@H+](CCO)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574107452 949283212 /nfs/dbraw/zinc/28/32/12/949283212.db2.gz JSXMXHUNZYLUBG-GOSISDBHSA-N 1 0 386.500 1.698 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)n1 ZINC001574457374 949326056 /nfs/dbraw/zinc/32/60/56/949326056.db2.gz JKOMMWLRPSZDJS-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574703450 949326299 /nfs/dbraw/zinc/32/62/99/949326299.db2.gz BXFSLPDCGNDOFJ-ZDUSSCGKSA-N 1 0 378.440 1.069 20 0 GDADRO CC(C)n1ccc(C(=O)NCC2([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC001574458157 949334603 /nfs/dbraw/zinc/33/46/03/949334603.db2.gz PZBVVVBYOMVLRO-UHFFFAOYSA-N 1 0 380.456 1.696 20 0 GDADRO CC(C)n1ccc(CC(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001574460156 949372006 /nfs/dbraw/zinc/37/20/06/949372006.db2.gz QZLBDNOIKYANPI-AWEZNQCLSA-N 1 0 382.472 1.481 20 0 GDADRO C[C@@]1(C(=O)N2CC3(C2)CC[N@H+](Cc2ccc(-c4nn[nH]n4)cc2)C3)CCOC1 ZINC001575528178 949391603 /nfs/dbraw/zinc/39/16/03/949391603.db2.gz NRXMYKVRIPQQOL-LJQANCHMSA-N 1 0 382.468 1.328 20 0 GDADRO C[C@H]1CCCC[C@@]1(CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccon1 ZINC001576155295 949394552 /nfs/dbraw/zinc/39/45/52/949394552.db2.gz HTPFAOBSJCIPCK-SGTLLEGYSA-N 1 0 382.428 1.462 20 0 GDADRO CC(C)n1ccnc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574464113 949397125 /nfs/dbraw/zinc/39/71/25/949397125.db2.gz FPHZHINQAVFJBU-UHFFFAOYSA-N 1 0 382.472 1.848 20 0 GDADRO C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575263523 949399728 /nfs/dbraw/zinc/39/97/28/949399728.db2.gz HGKAUDLCWQPIBQ-QWRGUYRKSA-N 1 0 392.895 1.562 20 0 GDADRO CC1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOCC1 ZINC001575534798 949431047 /nfs/dbraw/zinc/43/10/47/949431047.db2.gz PNRCFVCGVWPJIU-ZDUSSCGKSA-N 1 0 390.513 1.683 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575535132 949440744 /nfs/dbraw/zinc/44/07/44/949440744.db2.gz SNZKIYKXGWGWOM-OXJNMPFZSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575265242 949441220 /nfs/dbraw/zinc/44/12/20/949441220.db2.gz SMKPNEQVBHSZEM-LSDHHAIUSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575265838 949458960 /nfs/dbraw/zinc/45/89/60/949458960.db2.gz VUERLVBJPJLPSE-DZGCQCFKSA-N 1 0 385.472 1.409 20 0 GDADRO C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574948463 949462028 /nfs/dbraw/zinc/46/20/28/949462028.db2.gz JBLURGWAFHSVTB-CYBMUJFWSA-N 1 0 380.456 1.235 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001574468806 949466708 /nfs/dbraw/zinc/46/67/08/949466708.db2.gz RZXSAVAOQWORPQ-WKILWMFISA-N 1 0 380.456 1.695 20 0 GDADRO C[C@@H](NC(=O)CC1(O)CCC1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575266238 949473773 /nfs/dbraw/zinc/47/37/73/949473773.db2.gz CFQSODQJFPOAQK-GFCCVEGCSA-N 1 0 388.447 1.247 20 0 GDADRO CC(C)CC(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOCC1 ZINC001574117614 949475045 /nfs/dbraw/zinc/47/50/45/949475045.db2.gz XTZFHAZJYNVBDR-UHFFFAOYSA-N 1 0 390.463 1.807 20 0 GDADRO CC1(C(=O)N2CCC(O)(C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)CC2)CC1 ZINC001575537766 949503807 /nfs/dbraw/zinc/50/38/07/949503807.db2.gz XQDSBHVTAVBFCJ-UHFFFAOYSA-N 1 0 388.447 1.249 20 0 GDADRO C[C@@H](CC(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccncc1 ZINC001574470577 949508532 /nfs/dbraw/zinc/50/85/32/949508532.db2.gz FUNNOMKQLHRLSM-KBPBESRZSA-N 1 0 380.456 1.531 20 0 GDADRO CC1(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575538653 949529749 /nfs/dbraw/zinc/52/97/49/949529749.db2.gz IFTAXCKXHWTEAS-INIZCTEOSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1CCCN(C(=O)C(F)F)[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576163649 949539964 /nfs/dbraw/zinc/53/99/64/949539964.db2.gz CPDFRBBEXJBSIA-HZMBPMFUSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575539123 949542926 /nfs/dbraw/zinc/54/29/26/949542926.db2.gz NCHOXZGLUXLVQD-FXAWDEMLSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711918 949566675 /nfs/dbraw/zinc/56/66/75/949566675.db2.gz NZNCMLHVRXTBEK-IAQYHMDHSA-N 1 0 381.415 1.421 20 0 GDADRO CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C ZINC001574124411 949572242 /nfs/dbraw/zinc/57/22/42/949572242.db2.gz HAILSFLOXWURME-XYPHTWIQSA-N 1 0 399.499 1.093 20 0 GDADRO C[C@H]1[C@H](NC(=O)COCC2CC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873254 949573131 /nfs/dbraw/zinc/57/31/31/949573131.db2.gz AJEGUKOFOKYPDB-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575270173 949577829 /nfs/dbraw/zinc/57/78/29/949577829.db2.gz BPBVOOAEIWUZIP-ZBFHGGJFSA-N 1 0 386.504 1.325 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575873643 949584583 /nfs/dbraw/zinc/58/45/83/949584583.db2.gz BGUBHORDWUPBEA-HNAYVOBHSA-N 1 0 391.479 1.974 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ccon1 ZINC001573811038 949587443 /nfs/dbraw/zinc/58/74/43/949587443.db2.gz HAWRCSBECCGXDV-ZDUSSCGKSA-N 1 0 375.458 1.851 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@]1(F)CCOC1 ZINC001573811150 949589453 /nfs/dbraw/zinc/58/94/53/949589453.db2.gz IGVLSDJOHMICCZ-HNAYVOBHSA-N 1 0 390.463 1.616 20 0 GDADRO C[C@H](NC(=O)C[C@@H]1CCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575270447 949592011 /nfs/dbraw/zinc/59/20/11/949592011.db2.gz ZTHXXRGELIBCAL-AAEUAGOBSA-N 1 0 376.486 1.434 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001575270751 949602764 /nfs/dbraw/zinc/60/27/64/949602764.db2.gz GAKVBHGCZGEVJS-BDAKNGLRSA-N 1 0 386.913 1.624 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575546614 949614743 /nfs/dbraw/zinc/61/47/43/949614743.db2.gz RGXPEYBYMYBCRR-XLIONFOSSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001574476699 949615444 /nfs/dbraw/zinc/61/54/44/949615444.db2.gz JGKBQQMYPGXTQA-PBHICJAKSA-N 1 0 386.500 1.554 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CCCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714559 949631889 /nfs/dbraw/zinc/63/18/89/949631889.db2.gz FKDJKZWHDHBVIH-UKRRQHHQSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575272136 949637722 /nfs/dbraw/zinc/63/77/22/949637722.db2.gz NYRSODBJEXGUMB-HUUCEWRRSA-N 1 0 386.504 1.833 20 0 GDADRO C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575272995 949654957 /nfs/dbraw/zinc/65/49/57/949654957.db2.gz UHDGVPZHIQXGAC-GJZGRUSLSA-N 1 0 386.504 1.833 20 0 GDADRO CC(C)(C)[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573815889 949661475 /nfs/dbraw/zinc/66/14/75/949661475.db2.gz LOMPNGAOLQDJAM-OAHLLOKOSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1c1ncc(-c2nn[nH]n2)cc1F ZINC001575877684 949666217 /nfs/dbraw/zinc/66/62/17/949666217.db2.gz MIFLJNLFUBBBTL-WFASDCNBSA-N 1 0 390.467 1.216 20 0 GDADRO C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4-c4nn[nH]n4)C[C@@H]3C2)CCOC1 ZINC001575552206 949676731 /nfs/dbraw/zinc/67/67/31/949676731.db2.gz CWCGXXOXWQEDEK-GQIGUUNPSA-N 1 0 382.468 1.184 20 0 GDADRO C[C@@H](NC(=O)CCc1cncnc1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575275088 949697429 /nfs/dbraw/zinc/69/74/29/949697429.db2.gz BZPOXHBHUOXOSN-CQSZACIVSA-N 1 0 392.467 1.226 20 0 GDADRO C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C[NH2+]Cc1cnns1 ZINC001576170503 949718893 /nfs/dbraw/zinc/71/88/93/949718893.db2.gz LOHADJLHJKVXAH-IINYFYTJSA-N 1 0 387.473 1.077 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574717136 949726728 /nfs/dbraw/zinc/72/67/28/949726728.db2.gz USTISFFNTJJILU-NWDGAFQWSA-N 1 0 392.895 1.516 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cncc(F)c1 ZINC001573818282 949727208 /nfs/dbraw/zinc/72/72/08/949727208.db2.gz JTGUVVPTKKRDSX-OAHLLOKOSA-N 1 0 384.419 1.474 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC001575881933 949742318 /nfs/dbraw/zinc/74/23/18/949742318.db2.gz DEAFJAIRCDTPRL-GXFFZTMASA-N 1 0 379.415 1.823 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574717832 949749346 /nfs/dbraw/zinc/74/93/46/949749346.db2.gz QQQIZDMLZHXTKQ-UKRRQHHQSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574718017 949758427 /nfs/dbraw/zinc/75/84/27/949758427.db2.gz REIVXFQNVWWZOP-OLZOCXBDSA-N 1 0 378.502 1.824 20 0 GDADRO CC1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CCOCC1 ZINC001575559924 949774035 /nfs/dbraw/zinc/77/40/35/949774035.db2.gz ZENGAVNXVHWERI-KRWDZBQOSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ccon1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574720777 949803414 /nfs/dbraw/zinc/80/34/14/949803414.db2.gz HBUWFLQVHGPVLQ-LBPRGKRZSA-N 1 0 387.419 1.563 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574482014 949814139 /nfs/dbraw/zinc/81/41/39/949814139.db2.gz YRWVTFNNAGLVMP-HOCLYGCPSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574721497 949821314 /nfs/dbraw/zinc/82/13/14/949821314.db2.gz MNJVCGFGYLACAP-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1c[nH]cn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574722295 949836892 /nfs/dbraw/zinc/83/68/92/949836892.db2.gz RVZIKVUWFIIHFE-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@@H](CN(C)C(=O)CCCn1ccnc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574722725 949847699 /nfs/dbraw/zinc/84/76/99/949847699.db2.gz WCMUDQGZEOKQFC-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1nccs1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574724599 949872087 /nfs/dbraw/zinc/87/20/87/949872087.db2.gz IEMDJUBDHMEIHB-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1 ZINC001574143002 949884131 /nfs/dbraw/zinc/88/41/31/949884131.db2.gz DSMMPRKTUJDUQP-GOEBONIOSA-N 1 0 389.504 1.698 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575565988 949892107 /nfs/dbraw/zinc/89/21/07/949892107.db2.gz ZICCGWXDNDAROP-YLJYHZDGSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575284162 949894636 /nfs/dbraw/zinc/89/46/36/949894636.db2.gz HYJSWGRMVFBYNA-CABCVRRESA-N 1 0 386.504 1.323 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575284212 949896251 /nfs/dbraw/zinc/89/62/51/949896251.db2.gz IEOLDIBYOHSQEC-QWRGUYRKSA-N 1 0 380.884 1.560 20 0 GDADRO C[C@@H](NC(=O)COCC1CC1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575285192 949936793 /nfs/dbraw/zinc/93/67/93/949936793.db2.gz ZPKSAAZBCNGGIN-GFCCVEGCSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cnon2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576180451 949953397 /nfs/dbraw/zinc/95/33/97/949953397.db2.gz HZJMLFDWKDJRRU-MFKMUULPSA-N 1 0 388.457 1.342 20 0 GDADRO C[C@@H](CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574489283 949958132 /nfs/dbraw/zinc/95/81/32/949958132.db2.gz IAWRMAQFEFSEMF-TVQRCGJNSA-N 1 0 383.378 1.579 20 0 GDADRO C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180514 949961016 /nfs/dbraw/zinc/96/10/16/949961016.db2.gz DVHXZPDIBDOOQK-UONOGXRCSA-N 1 0 387.463 1.720 20 0 GDADRO C[C@H](CN(C)C(=O)COC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574727752 949980906 /nfs/dbraw/zinc/98/09/06/949980906.db2.gz YXFXPOFMWQBBRE-GFCCVEGCSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@H](CN(C)C(=O)COCC(F)F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574727709 949981480 /nfs/dbraw/zinc/98/14/80/949981480.db2.gz XXQQGLVZYWFGJT-SNVBAGLBSA-N 1 0 386.378 1.224 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575287048 949994762 /nfs/dbraw/zinc/99/47/62/949994762.db2.gz ZWUJORHLDUVWSZ-LSDHHAIUSA-N 1 0 386.504 1.323 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576181275 949994701 /nfs/dbraw/zinc/99/47/01/949994701.db2.gz LLGXVNJQJNGPMA-CXAGYDPISA-N 1 0 381.440 1.885 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCCO1 ZINC001574150234 950022640 /nfs/dbraw/zinc/02/26/40/950022640.db2.gz AMRIDNIMZMGDSY-RDJZCZTQSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1ccc(F)cn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574729546 950024000 /nfs/dbraw/zinc/02/40/00/950024000.db2.gz OFXJMBLDTAGVNB-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cocn1 ZINC001574150342 950027830 /nfs/dbraw/zinc/02/78/30/950027830.db2.gz BKZKOWRRDBJGON-CYBMUJFWSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)C[C@H](C[NH2+]C[C@H]1CCCOC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574150630 950034407 /nfs/dbraw/zinc/03/44/07/950034407.db2.gz CRAWKVIXHOKAKG-ZIAGYGMSSA-N 1 0 375.477 1.356 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ncccn2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576182059 950035778 /nfs/dbraw/zinc/03/57/78/950035778.db2.gz XRPJRWKVQPOZKL-RHSMWYFYSA-N 1 0 392.467 1.687 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccn[nH]1 ZINC001574150807 950042616 /nfs/dbraw/zinc/04/26/16/950042616.db2.gz DJZQYJQWVIQBRP-ZDUSSCGKSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CC(C)(C)O ZINC001574150872 950042930 /nfs/dbraw/zinc/04/29/30/950042930.db2.gz FWXSFFZWEOIWBV-HNNXBMFYSA-N 1 0 392.479 1.787 20 0 GDADRO CC(C)C[C@@H](C[NH2+][C@H](C)c1cnccn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151266 950065402 /nfs/dbraw/zinc/06/54/02/950065402.db2.gz OIQFAMLHRXHICQ-OCCSQVGLSA-N 1 0 383.460 1.480 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574151229 950065594 /nfs/dbraw/zinc/06/55/94/950065594.db2.gz NXHJNLNXLOIZHH-WNRNVDISSA-N 1 0 384.484 1.380 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1ccon1 ZINC001574151348 950071645 /nfs/dbraw/zinc/07/16/45/950071645.db2.gz PQDGYIIUPQSTSK-CYBMUJFWSA-N 1 0 389.485 1.779 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1cscn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574732886 950081165 /nfs/dbraw/zinc/08/11/65/950081165.db2.gz LULULJQVQPAHRH-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H](CN(C)C(=O)Cn1cc(Cl)cn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574733287 950105010 /nfs/dbraw/zinc/10/50/10/950105010.db2.gz XPXKEPCZWYMARS-LBPRGKRZSA-N 1 0 388.863 1.353 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574733460 950115825 /nfs/dbraw/zinc/11/58/25/950115825.db2.gz BQWDXVKUYKBKRX-MDRZDLKXSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@@H](O)c1ccccc1Cl ZINC001574977266 950119021 /nfs/dbraw/zinc/11/90/21/950119021.db2.gz IUDAJBQDVDHGTO-MEBBXXQBSA-N 1 0 389.847 1.290 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575897686 950144844 /nfs/dbraw/zinc/14/48/44/950144844.db2.gz QBGCEPFIOCPECT-SUMWQHHRSA-N 1 0 380.456 1.383 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cc[nH]n1 ZINC001574153780 950152406 /nfs/dbraw/zinc/15/24/06/950152406.db2.gz WZJZYLKBYQKMDR-KRWDZBQOSA-N 1 0 382.472 1.453 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1ncc[nH]1 ZINC001574153902 950152484 /nfs/dbraw/zinc/15/24/84/950152484.db2.gz XOENEDCFUCQYBT-HNNXBMFYSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)CCCOC1 ZINC001575583735 950153446 /nfs/dbraw/zinc/15/34/46/950153446.db2.gz NGWHDGDAGHZQCU-XLIONFOSSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575583960 950158870 /nfs/dbraw/zinc/15/88/70/950158870.db2.gz OAEAUIWLUARFDZ-MHVYXZCWSA-N 1 0 388.447 1.417 20 0 GDADRO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574154030 950160970 /nfs/dbraw/zinc/16/09/70/950160970.db2.gz ZTXWXLFHXCZEJT-HNNXBMFYSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@]1(C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575584070 950162072 /nfs/dbraw/zinc/16/20/72/950162072.db2.gz PCAXZLSEZSOWFV-LAGYLCCXSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1cc[nH]n1 ZINC001575900282 950194926 /nfs/dbraw/zinc/19/49/26/950194926.db2.gz DCEBCCHYKLZQKG-ZBEGNZNMSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ncccn1 ZINC001575900454 950198267 /nfs/dbraw/zinc/19/82/67/950198267.db2.gz FHCMFPGESRFGRD-XHDPSFHLSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C[NH2+]Cc1ccns1 ZINC001576191561 950201299 /nfs/dbraw/zinc/20/12/99/950201299.db2.gz ILZWEUINBLRCTA-RYUDHWBXSA-N 1 0 386.485 1.539 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)C1=COCCC1 ZINC001575900645 950202748 /nfs/dbraw/zinc/20/27/48/950202748.db2.gz GWJJJMMHMNTXAP-YVEFUNNKSA-N 1 0 386.431 1.779 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575585702 950203807 /nfs/dbraw/zinc/20/38/07/950203807.db2.gz BZKSDZYNAWUAHH-DJJJIMSYSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1ccco1 ZINC001575900898 950210531 /nfs/dbraw/zinc/21/05/31/950210531.db2.gz JCFIXAMUSRKTJE-PXAZEXFGSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576191807 950215979 /nfs/dbraw/zinc/21/59/79/950215979.db2.gz ILSRDKSQBACAKD-DZGCQCFKSA-N 1 0 378.440 1.289 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001574983537 950222191 /nfs/dbraw/zinc/22/21/91/950222191.db2.gz PEJHYYRIANRYQO-VHSXEESVSA-N 1 0 385.432 1.172 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001573845326 950222311 /nfs/dbraw/zinc/22/23/11/950222311.db2.gz WTVBMSMDWRAPFE-SWLSCSKDSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H](CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)n1ccnc1 ZINC001574497832 950246711 /nfs/dbraw/zinc/24/67/11/950246711.db2.gz DTRZALBINTUXRC-CQSZACIVSA-N 1 0 380.456 1.453 20 0 GDADRO C[C@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)n1cccc1 ZINC001574497982 950249286 /nfs/dbraw/zinc/24/92/86/950249286.db2.gz HSLORUUTOJOSSZ-CQSZACIVSA-N 1 0 380.456 1.587 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)COC(C)(C)C ZINC001575902080 950249804 /nfs/dbraw/zinc/24/98/04/950249804.db2.gz SCZYNKLTNNDJJL-WBMJQRKESA-N 1 0 390.463 1.900 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cnccn1 ZINC001575902069 950250167 /nfs/dbraw/zinc/25/01/67/950250167.db2.gz RXFXBXHSZQXWKV-XHDPSFHLSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cccc(Cl)c1F ZINC001574984010 950250662 /nfs/dbraw/zinc/25/06/62/950250662.db2.gz VFKARAGROVIKMH-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccc(F)nc1 ZINC001574157896 950258842 /nfs/dbraw/zinc/25/88/42/950258842.db2.gz KUQVHLCMVZWDJI-ZDUSSCGKSA-N 1 0 384.419 1.474 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(F)(F)F ZINC001574498139 950262220 /nfs/dbraw/zinc/26/22/20/950262220.db2.gz KKIKVIYXZPVESM-CMPLNLGQSA-N 1 0 386.378 1.022 20 0 GDADRO C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC001574498347 950269695 /nfs/dbraw/zinc/26/96/95/950269695.db2.gz MPSJJGVEAAKOQU-ZWNOBZJWSA-N 1 0 386.378 1.022 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCOC1 ZINC001574158241 950271754 /nfs/dbraw/zinc/27/17/54/950271754.db2.gz PNSBCVAIYMUJSD-HUUCEWRRSA-N 1 0 387.488 1.443 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cccnc1 ZINC001575903159 950275208 /nfs/dbraw/zinc/27/52/08/950275208.db2.gz YQJDSSBHOHADAR-SJKOYZFVSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cncnc1 ZINC001575905046 950285269 /nfs/dbraw/zinc/28/52/69/950285269.db2.gz BCTONKFNXQZOTK-ZBEGNZNMSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ncccn1 ZINC001575905466 950296298 /nfs/dbraw/zinc/29/62/98/950296298.db2.gz CVUYDKLREGXMJO-IAQYHMDHSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1n[nH]cc1F ZINC001575905761 950299674 /nfs/dbraw/zinc/29/96/74/950299674.db2.gz FDRHKBOCBAXKJP-LKFCYVNXSA-N 1 0 388.382 1.261 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1ccco1 ZINC001575906033 950303523 /nfs/dbraw/zinc/30/35/23/950303523.db2.gz GCOVTUVTMSKREV-PXAZEXFGSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccon1 ZINC001575906336 950311403 /nfs/dbraw/zinc/31/14/03/950311403.db2.gz HMPFWWIJDYDNIB-DYVFJYSZSA-N 1 0 381.440 1.567 20 0 GDADRO C[C@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)[C@H]1CCCO1 ZINC001574500384 950313631 /nfs/dbraw/zinc/31/36/31/950313631.db2.gz ZXKFPKFDNBOJCD-CZUORRHYSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C2CC2)C1 ZINC001576193912 950315461 /nfs/dbraw/zinc/31/54/61/950315461.db2.gz VZRYQNFQMCQBAI-CJNGLKHVSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCc1ccon1 ZINC001575908247 950354205 /nfs/dbraw/zinc/35/42/05/950354205.db2.gz SYVFOHKYPXRNKE-SMDDNHRTSA-N 1 0 387.469 1.628 20 0 GDADRO CC1CC[NH+](CC(=O)N2CC[C@H](CNc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576196635 950366951 /nfs/dbraw/zinc/36/69/51/950366951.db2.gz FKVVYBLUTQCOSY-OAHLLOKOSA-N 1 0 384.488 1.254 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cnn(C)c1 ZINC001575908568 950369435 /nfs/dbraw/zinc/36/94/35/950369435.db2.gz VHQMXMXKQQZJNC-BDJLRTHQSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ncccc1F ZINC001575908763 950378376 /nfs/dbraw/zinc/37/83/76/950378376.db2.gz DULTUKKJMXFCOT-MLGOLLRUSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001576197263 950381318 /nfs/dbraw/zinc/38/13/18/950381318.db2.gz MHTIBUMDBYRAMI-HOCLYGCPSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001574745419 950383435 /nfs/dbraw/zinc/38/34/35/950383435.db2.gz JKXCPWJGCZVZNQ-GFCCVEGCSA-N 1 0 381.440 1.475 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001574747108 950403991 /nfs/dbraw/zinc/40/39/91/950403991.db2.gz QXELBGYRNUEXFD-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)nn1C ZINC001574747575 950407259 /nfs/dbraw/zinc/40/72/59/950407259.db2.gz UHLBFEGGFWHNQH-GFCCVEGCSA-N 1 0 383.460 1.113 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCCN(c3ncccc3-c3nn[nH]n3)CC2)CC1 ZINC001576199464 950424259 /nfs/dbraw/zinc/42/42/59/950424259.db2.gz ZDHVUFXMYWEKQD-UHFFFAOYSA-N 1 0 384.488 1.032 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001576199292 950425527 /nfs/dbraw/zinc/42/55/27/950425527.db2.gz YGIWIXZLJROFGL-ZIAGYGMSSA-N 1 0 389.529 1.303 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574750746 950438952 /nfs/dbraw/zinc/43/89/52/950438952.db2.gz GWTZPFZNNVVBDM-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1ccncn1 ZINC001575911206 950439218 /nfs/dbraw/zinc/43/92/18/950439218.db2.gz NIDNBWZWHYFIIR-KSSFIOAISA-N 1 0 392.467 1.369 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@@]2(C)CCN(c3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576203299 950442807 /nfs/dbraw/zinc/44/28/07/950442807.db2.gz GJZOQVPLERNRNU-IBGZPJMESA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574507406 950456655 /nfs/dbraw/zinc/45/66/55/950456655.db2.gz IFTCLGTWZDEDCU-ZJOBFFGXSA-N 1 0 385.472 1.196 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001576204587 950469992 /nfs/dbraw/zinc/46/99/92/950469992.db2.gz QJHGEOFOCOCIGZ-LSDHHAIUSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575605708 950478413 /nfs/dbraw/zinc/47/84/13/950478413.db2.gz PFTDOPCXSUASBU-KHYOSLBOSA-N 1 0 388.447 1.559 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)s3)CC2)CC1 ZINC001576205294 950510055 /nfs/dbraw/zinc/51/00/55/950510055.db2.gz WSRQAMNOVBKIKZ-UHFFFAOYSA-N 1 0 389.529 1.304 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1c[nH]cn1 ZINC001575915860 950524020 /nfs/dbraw/zinc/52/40/20/950524020.db2.gz XQGATNBKLSXDPV-SUMWQHHRSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)on1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574999073 950567072 /nfs/dbraw/zinc/56/70/72/950567072.db2.gz FSEQLGPWCXMIBW-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H](Nc2cccc(F)c2-c2nn[nH]n2)C2CC2)C1 ZINC001576206920 950580532 /nfs/dbraw/zinc/58/05/32/950580532.db2.gz ZPZCTCMFUQBSOI-LRDDRELGSA-N 1 0 387.463 1.654 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574999446 950581529 /nfs/dbraw/zinc/58/15/29/950581529.db2.gz KANMGHPVFFJPNQ-NSHDSACASA-N 1 0 381.444 1.127 20 0 GDADRO CC1(C)C(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1(C)C ZINC001575618012 950606979 /nfs/dbraw/zinc/60/69/79/950606979.db2.gz FWBHYDDGFZIPJJ-LBPRGKRZSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccn(C(F)F)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574759145 950632272 /nfs/dbraw/zinc/63/22/72/950632272.db2.gz LBBOXSRWTMYADE-LLVKDONJSA-N 1 0 390.398 1.709 20 0 GDADRO C[C@@H](CNC(=O)c1cc(F)c[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575001468 950632254 /nfs/dbraw/zinc/63/22/54/950632254.db2.gz KZSPNCNBHLRCJQ-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575001571 950636729 /nfs/dbraw/zinc/63/67/29/950636729.db2.gz VUBGIBGNWIIEBJ-SNVBAGLBSA-N 1 0 386.485 1.447 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575001948 950650263 /nfs/dbraw/zinc/65/02/63/950650263.db2.gz PXYRERBDACUZRM-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575001949 950650721 /nfs/dbraw/zinc/65/07/21/950650721.db2.gz PXYRERBDACUZRM-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccn1 ZINC001574518693 950654348 /nfs/dbraw/zinc/65/43/48/950654348.db2.gz PSMKAGFBEQLBPL-CKNFYHOISA-N 1 0 392.467 1.261 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575923492 950660670 /nfs/dbraw/zinc/66/06/70/950660670.db2.gz BQJHYELMFZOKJM-BONVTDFDSA-N 1 0 385.378 1.677 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575002325 950661093 /nfs/dbraw/zinc/66/10/93/950661093.db2.gz SCSNHFOXYAXVHO-NSHDSACASA-N 1 0 383.431 1.731 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1c1ncccc1-c1nn[nH]n1 ZINC001576214328 950670513 /nfs/dbraw/zinc/67/05/13/950670513.db2.gz PJHYBAXBWOOWMJ-ZBFHGGJFSA-N 1 0 384.488 1.077 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573877773 950691374 /nfs/dbraw/zinc/69/13/74/950691374.db2.gz FQZCNTXRRCWXOG-UMVBOHGHSA-N 1 0 385.472 1.005 20 0 GDADRO C[C@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575005696 950697064 /nfs/dbraw/zinc/69/70/64/950697064.db2.gz LDAJSSXCRYNKLW-GFCCVEGCSA-N 1 0 381.444 1.049 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573878488 950710770 /nfs/dbraw/zinc/71/07/70/950710770.db2.gz QQMKGDBQORDJFK-FVQBIDKESA-N 1 0 390.463 1.255 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926565 950713759 /nfs/dbraw/zinc/71/37/59/950713759.db2.gz KNPOXSGEHLZNRA-SJKOYZFVSA-N 1 0 391.435 1.429 20 0 GDADRO C[C@H](CN(C)C(=O)c1cncs1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574763993 950739426 /nfs/dbraw/zinc/73/94/26/950739426.db2.gz OMAVNVKNMGZBMX-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnn(C(F)F)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574763988 950740006 /nfs/dbraw/zinc/74/00/06/950740006.db2.gz OLGATWAMRNYWMV-LLVKDONJSA-N 1 0 390.398 1.709 20 0 GDADRO CC1(C)CC(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575630240 950756558 /nfs/dbraw/zinc/75/65/58/950756558.db2.gz ZGDCXIBTCYYXHT-AWEZNQCLSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575927817 950759690 /nfs/dbraw/zinc/75/96/90/950759690.db2.gz VBPBUPZNWISZJM-BLLLJJGKSA-N 1 0 390.451 1.671 20 0 GDADRO CC(C)OCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574521005 950762136 /nfs/dbraw/zinc/76/21/36/950762136.db2.gz CFWRMNRELNJEEA-OLZOCXBDSA-N 1 0 378.452 1.804 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnn2ncccc12)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574764845 950763750 /nfs/dbraw/zinc/76/37/50/950763750.db2.gz ZQAHFOZGOKQFHE-ZDUSSCGKSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1ccon1 ZINC001574521076 950766592 /nfs/dbraw/zinc/76/65/92/950766592.db2.gz CWSRLKCQNGNLNI-GHMZBOCLSA-N 1 0 375.458 1.532 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576217717 950767489 /nfs/dbraw/zinc/76/74/89/950767489.db2.gz ITMXWWHBKVGKKN-ZWNOBZJWSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnsn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574764975 950768369 /nfs/dbraw/zinc/76/83/69/950768369.db2.gz AXZSVTKILFMGRV-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COC1CCCCC1 ZINC001575928095 950774131 /nfs/dbraw/zinc/77/41/31/950774131.db2.gz YMYVEGFTDXMERQ-CZUORRHYSA-N 1 0 385.472 1.434 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cn1cccn1 ZINC001574522211 950792341 /nfs/dbraw/zinc/79/23/41/950792341.db2.gz JLNXAISSYWDXRD-STQMWFEESA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnsn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574766160 950808084 /nfs/dbraw/zinc/80/80/84/950808084.db2.gz KYLYDZHCDSXAHS-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1=CCOCC1 ZINC001574523872 950832931 /nfs/dbraw/zinc/83/29/31/950832931.db2.gz RQAYVQNLLCBTDT-CHWSQXEVSA-N 1 0 388.447 1.725 20 0 GDADRO C[C@H](CN(C)C(=O)c1coc(C2CC2)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574767672 950863097 /nfs/dbraw/zinc/86/30/97/950863097.db2.gz UMLQQDTZPZILKK-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576222201 950867294 /nfs/dbraw/zinc/86/72/94/950867294.db2.gz XURGPGLJPNSDAG-BXKDBHETSA-N 1 0 381.362 1.285 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnsn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574767934 950876601 /nfs/dbraw/zinc/87/66/01/950876601.db2.gz VJPUULOLSSBCQL-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cncn1C ZINC001574527519 950889588 /nfs/dbraw/zinc/88/95/88/950889588.db2.gz CVDGXQVVMZHIAE-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnns1 ZINC001574527543 950889900 /nfs/dbraw/zinc/88/99/00/950889900.db2.gz DBNQSQDBSVPNFK-RKDXNWHRSA-N 1 0 378.487 1.466 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574527489 950890825 /nfs/dbraw/zinc/89/08/25/950890825.db2.gz CJWHZIBJQZMXRU-NWDGAFQWSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@@H](C[N@H+](C)CCc1ccc(F)c(F)c1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771583 950924274 /nfs/dbraw/zinc/92/42/74/950924274.db2.gz GXKXRSWTWRRESM-NSHDSACASA-N 1 0 389.410 1.766 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccnn1C ZINC001574528892 950940225 /nfs/dbraw/zinc/94/02/25/950940225.db2.gz ONXMCJJTNGIZQV-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574771986 950954600 /nfs/dbraw/zinc/95/46/00/950954600.db2.gz ODPVMDMSZGEZAL-CJNGLKHVSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccn(C)n1 ZINC001574529711 950955020 /nfs/dbraw/zinc/95/50/20/950955020.db2.gz RPWBHPUXGQPDRC-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1csnn1 ZINC001574529749 950959394 /nfs/dbraw/zinc/95/93/94/950959394.db2.gz RXVFUCBFDATXSJ-UWVGGRQHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cc[nH]c(=O)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574529837 950961788 /nfs/dbraw/zinc/96/17/88/950961788.db2.gz AOBLEIUAJBZYOV-OLZOCXBDSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ncc(Cl)n1C ZINC001574530012 950963983 /nfs/dbraw/zinc/96/39/83/950963983.db2.gz SIZHDBDSRZYGPK-ZJUUUORDSA-N 1 0 391.867 1.268 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574530167 950969949 /nfs/dbraw/zinc/96/99/49/950969949.db2.gz SUQHNQJLKKSORV-CHWSQXEVSA-N 1 0 381.440 1.654 20 0 GDADRO CC1CC(C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575938073 950970074 /nfs/dbraw/zinc/97/00/74/950970074.db2.gz IORXJDCQYPIOTI-SEEARECTSA-N 1 0 390.463 1.303 20 0 GDADRO CC(C)CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001574195270 950975514 /nfs/dbraw/zinc/97/55/14/950975514.db2.gz LUWIFYYGAKGVKW-LJQANCHMSA-N 1 0 387.488 1.548 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1(C(F)F)CC1 ZINC001574773233 950978508 /nfs/dbraw/zinc/97/85/08/950978508.db2.gz WFYFXANNSNNSGK-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)CCC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574195654 951002125 /nfs/dbraw/zinc/00/21/25/951002125.db2.gz VUXPGAFPTZGYHF-GOSISDBHSA-N 1 0 375.477 1.452 20 0 GDADRO CC(C)n1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001574530949 951007276 /nfs/dbraw/zinc/00/72/76/951007276.db2.gz DXVFIDJRKLDKAM-VXGBXAGGSA-N 1 0 386.464 1.054 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@H](C)c1ccc(F)cc1F ZINC001575019163 951033107 /nfs/dbraw/zinc/03/31/07/951033107.db2.gz SLKXHGLIWZFDAQ-NXEZZACHSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575024096 951088847 /nfs/dbraw/zinc/08/88/47/951088847.db2.gz USRMRBAUTLDKPL-ZDUSSCGKSA-N 1 0 380.456 1.554 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024498 951104689 /nfs/dbraw/zinc/10/46/89/951104689.db2.gz FRAWTEGXDDWOJD-ZDUSSCGKSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575025314 951128138 /nfs/dbraw/zinc/12/81/38/951128138.db2.gz XSMNWHNWIQNPDL-CQSZACIVSA-N 1 0 391.479 1.767 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1ccn2C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575027243 951154652 /nfs/dbraw/zinc/15/46/52/951154652.db2.gz DJSYXVKDDRHHQO-LBPRGKRZSA-N 1 0 376.424 1.406 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2cccnc21)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575027659 951162557 /nfs/dbraw/zinc/16/25/57/951162557.db2.gz HTQRZDCNEJUPOI-CYBMUJFWSA-N 1 0 388.435 1.710 20 0 GDADRO C[C@H](CNC(=O)c1ccc2cccnn21)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575028109 951167900 /nfs/dbraw/zinc/16/79/00/951167900.db2.gz VFXHIFSVISBNHI-CQSZACIVSA-N 1 0 390.451 1.765 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(N(C)C)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575035076 951267034 /nfs/dbraw/zinc/26/70/34/951267034.db2.gz GDIDAVHXHPMVGG-CYBMUJFWSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@@H](CNC(=O)c1ccnn1C1CCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575035633 951278469 /nfs/dbraw/zinc/27/84/69/951278469.db2.gz ZQWIARJZGINGEC-ZDUSSCGKSA-N 1 0 380.456 1.696 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575043552 951397551 /nfs/dbraw/zinc/39/75/51/951397551.db2.gz UKRZFIDSLLJNHJ-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575043823 951403924 /nfs/dbraw/zinc/40/39/24/951403924.db2.gz VUOWXPDEQDOCHR-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@@H](CNC(=O)c1cnc2n1CCC2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575045616 951429661 /nfs/dbraw/zinc/42/96/61/951429661.db2.gz FKCGPBDHXLNYAY-NSHDSACASA-N 1 0 384.419 1.057 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(F)F)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575052213 951461946 /nfs/dbraw/zinc/46/19/46/951461946.db2.gz GBUBMGCZDMUEJV-SNVBAGLBSA-N 1 0 376.371 1.366 20 0 GDADRO C[C@H](CNC(=O)c1cncs1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575053672 951480868 /nfs/dbraw/zinc/48/08/68/951480868.db2.gz UEVNPCCCRJUNBQ-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575053685 951481430 /nfs/dbraw/zinc/48/14/30/951481430.db2.gz UKHWDMUZJMVLIB-GFCCVEGCSA-N 1 0 383.460 1.113 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C2CC2)n1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575056621 951520371 /nfs/dbraw/zinc/52/03/71/951520371.db2.gz JVVIRHOTQNKOMP-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1conc1C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575057821 951530658 /nfs/dbraw/zinc/53/06/58/951530658.db2.gz QVIVAGGSJMURMB-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1csc(=O)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575058035 951535138 /nfs/dbraw/zinc/53/51/38/951535138.db2.gz UEFJNTBSNJYHHC-MRVPVSSYSA-N 1 0 377.405 1.076 20 0 GDADRO C[C@@H](CNC(=O)c1cscn1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575060676 951545758 /nfs/dbraw/zinc/54/57/58/951545758.db2.gz CQVQYINLZKKTHT-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)c1nn(C)cc1Cl)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575064928 951579760 /nfs/dbraw/zinc/57/97/60/951579760.db2.gz FROUVUSGZQOZKB-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C(F)F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575066873 951599577 /nfs/dbraw/zinc/59/95/77/951599577.db2.gz NFBFBEVTDYHTQA-MRVPVSSYSA-N 1 0 378.343 1.442 20 0 GDADRO C[C@H](CNC(=O)c1snnc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575070650 951654333 /nfs/dbraw/zinc/65/43/33/951654333.db2.gz SXKCPOGVSPUJME-SNVBAGLBSA-N 1 0 384.469 1.504 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@H](O)C1CCCCC1 ZINC001575077129 951663070 /nfs/dbraw/zinc/66/30/70/951663070.db2.gz CYCDMHFUXRNFJK-LRDDRELGSA-N 1 0 375.477 1.092 20 0 GDADRO C[C@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077449 951669627 /nfs/dbraw/zinc/66/96/27/951669627.db2.gz DESYBTXHRAYAMH-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCCOCC1 ZINC001575078275 951679109 /nfs/dbraw/zinc/67/91/09/951679109.db2.gz LBWPSWYVEAGSMI-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001575078276 951679223 /nfs/dbraw/zinc/67/92/23/951679223.db2.gz LBWPSWYVEAGSMI-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575078283 951679623 /nfs/dbraw/zinc/67/96/23/951679623.db2.gz LGNPEFLIHWYETO-CJNGLKHVSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)Cc1cncs1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078547 951682892 /nfs/dbraw/zinc/68/28/92/951682892.db2.gz KOZMKRHNULLGOK-LLVKDONJSA-N 1 0 389.460 1.547 20 0 GDADRO C[C@@H](CNC(=O)COC(C)(C)C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079056 951686980 /nfs/dbraw/zinc/68/69/80/951686980.db2.gz PARQSSNJJHBOGW-GFCCVEGCSA-N 1 0 378.452 1.663 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575079723 951696433 /nfs/dbraw/zinc/69/64/33/951696433.db2.gz FZTUAQBBVVUXDX-XJKSGUPXSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079956 951700949 /nfs/dbraw/zinc/70/09/49/951700949.db2.gz UFGKAZMZYNASJL-CHWSQXEVSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCCO1 ZINC001575080027 951703452 /nfs/dbraw/zinc/70/34/52/951703452.db2.gz JJMRTDRAFCJEGX-LRDDRELGSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CNC(=O)c1cnsn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080146 951703710 /nfs/dbraw/zinc/70/37/10/951703710.db2.gz WENIBBAKARSJND-SECBINFHSA-N 1 0 376.421 1.013 20 0 GDADRO C[C@H](CNC(=O)c1cnsn1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080148 951704248 /nfs/dbraw/zinc/70/42/48/951704248.db2.gz WENIBBAKARSJND-VIFPVBQESA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575080150 951704468 /nfs/dbraw/zinc/70/44/68/951704468.db2.gz WGGQGVZSLSYAMS-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575080096 951704540 /nfs/dbraw/zinc/70/45/40/951704540.db2.gz URQUYPNXQMVYGZ-ORAYPTAESA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)c1ccn[nH]1)C1CC1 ZINC001575080229 951706750 /nfs/dbraw/zinc/70/67/50/951706750.db2.gz QHOWZOCPTNIWSS-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C1(C(F)F)CC1 ZINC001575080378 951708842 /nfs/dbraw/zinc/70/88/42/951708842.db2.gz KLQBKYCAKFQSKB-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)c1cnco1)C1CC1 ZINC001575080935 951717885 /nfs/dbraw/zinc/71/78/85/951717885.db2.gz SUCOLISINNPLKX-GOSISDBHSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cc1cscn1 ZINC001575081144 951719386 /nfs/dbraw/zinc/71/93/86/951719386.db2.gz ORMPQKBCCQFDNF-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](C[NH2+]C[C@@H](O)c1ccccc1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575081447 951723985 /nfs/dbraw/zinc/72/39/85/951723985.db2.gz UZYBYJZGHPGZPL-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575088586 951740854 /nfs/dbraw/zinc/74/08/54/951740854.db2.gz BQSSFQXWONZMSK-ORAYPTAESA-N 1 0 390.463 1.759 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001575088655 951740982 /nfs/dbraw/zinc/74/09/82/951740982.db2.gz ADFGALQLUIFKNB-IAQYHMDHSA-N 1 0 382.440 1.958 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089861 951755452 /nfs/dbraw/zinc/75/54/52/951755452.db2.gz HYNQFOXXHQZDES-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575090216 951758848 /nfs/dbraw/zinc/75/88/48/951758848.db2.gz KBFPPQCUAAOLKI-MDRZDLKXSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090909 951765304 /nfs/dbraw/zinc/76/53/04/951765304.db2.gz NYCIXPNTPQRZGP-UONOGXRCSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575091294 951773377 /nfs/dbraw/zinc/77/33/77/951773377.db2.gz QIJUZPLMOFVISP-DIFFPNOSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C1CCOCC1 ZINC001575091412 951775004 /nfs/dbraw/zinc/77/50/04/951775004.db2.gz QQLDNZIGOQPWJT-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001575091485 951777089 /nfs/dbraw/zinc/77/70/89/951777089.db2.gz SCZLWBZZGSBGAT-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@H](CNC(=O)c1cc[nH]c(=O)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091589 951778750 /nfs/dbraw/zinc/77/87/50/951778750.db2.gz VRGNJFPZEVNIGL-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091516 951779212 /nfs/dbraw/zinc/77/92/12/951779212.db2.gz TWSAUMCVMPYPQI-OLZOCXBDSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)CC1CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091744 951782713 /nfs/dbraw/zinc/78/27/13/951782713.db2.gz XHMZOFMTJBEXED-ZDUSSCGKSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC001575091783 951784229 /nfs/dbraw/zinc/78/42/29/951784229.db2.gz YCHJQUYXBNYFMT-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001575091853 951784964 /nfs/dbraw/zinc/78/49/64/951784964.db2.gz VYTZZKNZZLCSDJ-IBGZPJMESA-N 1 0 381.440 1.472 20 0 GDADRO 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ZINC001575106546 951905459 /nfs/dbraw/zinc/90/54/59/951905459.db2.gz RYGVUNUMJCJFHH-LJQANCHMSA-N 1 0 378.440 1.345 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)no1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107569 951918927 /nfs/dbraw/zinc/91/89/27/951918927.db2.gz FYWVPCKGLSEBLS-SNVBAGLBSA-N 1 0 375.820 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001575107905 951920612 /nfs/dbraw/zinc/92/06/12/951920612.db2.gz IEPHFWZQHLPJPG-LBPRGKRZSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108840 951926689 /nfs/dbraw/zinc/92/66/89/951926689.db2.gz OBYDADXHFOIDPW-CYBMUJFWSA-N 1 0 392.467 1.690 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)c1ccncc1)C1CC1 ZINC001575113684 951943639 /nfs/dbraw/zinc/94/36/39/951943639.db2.gz DBNBBJZODJAXHJ-FQEVSTJZSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001575114597 951958705 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378.849 1.366 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575147862 952201064 /nfs/dbraw/zinc/20/10/64/952201064.db2.gz WQKCAQWGFBSNDK-CQSZACIVSA-N 1 0 391.479 1.674 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575148194 952203814 /nfs/dbraw/zinc/20/38/14/952203814.db2.gz YUOUXSVXTKMWEH-LLVKDONJSA-N 1 0 387.394 1.463 20 0 GDADRO C[C@@H](CNc1ncccc1-c1nn[nH]n1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575167575 952338121 /nfs/dbraw/zinc/33/81/21/952338121.db2.gz IESJBTPHWZIPRL-AWEZNQCLSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575190964 952465499 /nfs/dbraw/zinc/46/54/99/952465499.db2.gz VPGKFFQCXOXELF-CYBMUJFWSA-N 1 0 383.431 1.832 20 0 GDADRO O=C(c1ccc(C(F)F)o1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571115319 952466668 /nfs/dbraw/zinc/46/66/68/952466668.db2.gz UPQVHOZLUCQTRQ-VIFPVBQESA-N 1 0 375.339 1.541 20 0 GDADRO 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1.593 20 0 GDADRO O=C(C1CC(F)(F)C1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571152896 952683932 /nfs/dbraw/zinc/68/39/32/952683932.db2.gz KMRZVJJMFMMKMO-ZDUSSCGKSA-N 1 0 380.374 1.742 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001571165661 952753745 /nfs/dbraw/zinc/75/37/45/952753745.db2.gz HKCYJPYBDVEWHR-GASCZTMLSA-N 1 0 380.456 1.764 20 0 GDADRO CCCc1n[nH]cc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571165958 952757248 /nfs/dbraw/zinc/75/72/48/952757248.db2.gz JIVDGNPJCGRXLX-OAHLLOKOSA-N 1 0 380.456 1.547 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@H]1C ZINC001571169933 952780609 /nfs/dbraw/zinc/78/06/09/952780609.db2.gz QZSWHHRSJCXRLB-XJKSGUPXSA-N 1 0 380.456 1.681 20 0 GDADRO CCn1cnc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571169914 952780741 /nfs/dbraw/zinc/78/07/41/952780741.db2.gz QIGIKDCNIZUMKT-MRXNPFEDSA-N 1 0 380.456 1.430 20 0 GDADRO Cc1n[nH]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571170144 952783530 /nfs/dbraw/zinc/78/35/30/952783530.db2.gz UEAAJWSIWRAWDD-GOEBONIOSA-N 1 0 380.456 1.587 20 0 GDADRO Cc1cc[nH]c1C(=O)N[C@@H]1CC[C@H](C)N(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571170487 952785490 /nfs/dbraw/zinc/78/54/90/952785490.db2.gz VIJKHVDOTGRJTM-UONOGXRCSA-N 1 0 380.456 1.994 20 0 GDADRO Cc1cc(NC[C@H]2CCCN(C(=O)c3ccn(C)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571170498 952786985 /nfs/dbraw/zinc/78/69/85/952786985.db2.gz VKKOYUROKOGTLF-CQSZACIVSA-N 1 0 380.456 1.295 20 0 GDADRO Cc1nn(C)cc1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172182 952802146 /nfs/dbraw/zinc/80/21/46/952802146.db2.gz ONJHRVJPBCXFTL-HNNXBMFYSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1ncc(CC(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@@H](C)C2)o1 ZINC001571179635 952854678 /nfs/dbraw/zinc/85/46/78/952854678.db2.gz HUWNYKDYEBDZJF-SJCJKPOMSA-N 1 0 381.440 1.342 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)on1 ZINC001571181409 952864460 /nfs/dbraw/zinc/86/44/60/952864460.db2.gz WERLZFQMQNBLRE-CJNGLKHVSA-N 1 0 381.440 1.946 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC001571181783 952866202 /nfs/dbraw/zinc/86/62/02/952866202.db2.gz YGSGXGZKVIGXDL-ZBFHGGJFSA-N 1 0 381.440 1.851 20 0 GDADRO CCc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC001571182682 952866900 /nfs/dbraw/zinc/86/69/00/952866900.db2.gz BMRIKJFLOKEOMP-CTYIDZIISA-N 1 0 381.440 1.715 20 0 GDADRO O=C(c1cc(F)c[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001571182671 952866986 /nfs/dbraw/zinc/86/69/86/952866986.db2.gz BDLJLKWRTWQGCF-GASCZTMLSA-N 1 0 381.415 1.538 20 0 GDADRO CO[C@@H](C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)c1ccccc1 ZINC001571182726 952868356 /nfs/dbraw/zinc/86/83/56/952868356.db2.gz CUESXCYDHLEPBY-WBVHZDCISA-N 1 0 381.440 1.387 20 0 GDADRO COc1ccc(CC[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1 ZINC001571182732 952868370 /nfs/dbraw/zinc/86/83/70/952868370.db2.gz CVGBVBXDKPLMMJ-HNNXBMFYSA-N 1 0 381.440 1.250 20 0 GDADRO O=C(NCC1C[NH+]([C@@H]2CCc3ccc(F)cc32)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571182772 952869042 /nfs/dbraw/zinc/86/90/42/952869042.db2.gz FGSVWSMTZODJGN-QGZVFWFLSA-N 1 0 381.415 1.683 20 0 GDADRO O=C(Cc1ccc(F)cn1)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571182832 952869575 /nfs/dbraw/zinc/86/95/75/952869575.db2.gz HCOXZZCZYRGSMW-CALCHBBNSA-N 1 0 381.415 1.380 20 0 GDADRO C[C@H]1CN(C(=O)c2cnco2)CC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571182988 952872338 /nfs/dbraw/zinc/87/23/38/952872338.db2.gz LOPXYRXZNDOZPH-BBRMVZONSA-N 1 0 381.440 1.743 20 0 GDADRO O=C(c1ccncc1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571183369 952877461 /nfs/dbraw/zinc/87/74/61/952877461.db2.gz YQLRELHZGZCEEE-INIZCTEOSA-N 1 0 381.415 1.795 20 0 GDADRO CC(C)n1nccc1C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571183481 952879048 /nfs/dbraw/zinc/87/90/48/952879048.db2.gz BHZXVPWREBFQHD-ZDUSSCGKSA-N 1 0 381.444 1.178 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CCC(CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571186600 952908070 /nfs/dbraw/zinc/90/80/70/952908070.db2.gz YBAJTHJBICRPBV-UHFFFAOYSA-N 1 0 381.444 1.070 20 0 GDADRO O=C(c1cscn1)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571189369 952929240 /nfs/dbraw/zinc/92/92/40/952929240.db2.gz QJIMEZXUUMTSHU-CZUORRHYSA-N 1 0 381.465 1.670 20 0 GDADRO Cc1cnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)cn1 ZINC001571189571 952930565 /nfs/dbraw/zinc/93/05/65/952930565.db2.gz XNQJMPDJJQILGU-NSODJVPESA-N 1 0 381.444 1.105 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)CC[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571195133 952973474 /nfs/dbraw/zinc/97/34/74/952973474.db2.gz XUAWHLURAYZTLU-YGRLFVJLSA-N 1 0 382.390 1.988 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)nn1 ZINC001571196008 952978522 /nfs/dbraw/zinc/97/85/22/952978522.db2.gz GOLBWRKMAOEONC-BETUJISGSA-N 1 0 382.403 1.155 20 0 GDADRO Cc1cc(N2CC[C@](C)(NC(=O)c3cncc(F)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571195735 952979087 /nfs/dbraw/zinc/97/90/87/952979087.db2.gz FNFSQBXKGHYPOJ-SFHVURJKSA-N 1 0 382.403 1.503 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)nn1 ZINC001571195996 952979292 /nfs/dbraw/zinc/97/92/92/952979292.db2.gz GMACCCZHCYPINX-HDJSIYSDSA-N 1 0 382.403 1.155 20 0 GDADRO C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccon1 ZINC001571199778 953004251 /nfs/dbraw/zinc/00/42/51/953004251.db2.gz BRKFMVMZYVHCNN-OCCSQVGLSA-N 1 0 382.428 1.096 20 0 GDADRO CCCc1cc(C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001571200797 953012216 /nfs/dbraw/zinc/01/22/16/953012216.db2.gz LVTSBNFRXYTGDP-LBPRGKRZSA-N 1 0 382.428 1.341 20 0 GDADRO Cc1conc1C(=O)N1CC[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571201341 953016480 /nfs/dbraw/zinc/01/64/80/953016480.db2.gz KGLUGCMWRJIVGO-AAEUAGOBSA-N 1 0 382.428 1.190 20 0 GDADRO COCc1ccc(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC001571202138 953022850 /nfs/dbraw/zinc/02/28/50/953022850.db2.gz VRCLWVWSODGKPG-UHFFFAOYSA-N 1 0 382.424 1.468 20 0 GDADRO Cc1nc(C(C)C)oc1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202290 953023857 /nfs/dbraw/zinc/02/38/57/953023857.db2.gz SKZMKKRAQQIILS-LBPRGKRZSA-N 1 0 382.428 1.430 20 0 GDADRO CC1(C)CN(c2cc[nH+]cc2-c2nn[nH]n2)CC[C@H]1NC(=O)Cc1cnoc1 ZINC001571202403 953024634 /nfs/dbraw/zinc/02/46/34/953024634.db2.gz WBTHFZWPCJSNNE-OAHLLOKOSA-N 1 0 382.428 1.214 20 0 GDADRO Cc1cnoc1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571202399 953024735 /nfs/dbraw/zinc/02/47/35/953024735.db2.gz ULTKVMFPBVOYHR-CHWSQXEVSA-N 1 0 382.428 1.654 20 0 GDADRO Cc1ncoc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571206260 953048842 /nfs/dbraw/zinc/04/88/42/953048842.db2.gz NWTRXZOOMYONTM-UGSOOPFHSA-N 1 0 382.428 1.276 20 0 GDADRO O=C(N[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2)c1ccns1 ZINC001571210640 953072994 /nfs/dbraw/zinc/07/29/94/953072994.db2.gz VCXDYUQRBBQSKK-ZIAGYGMSSA-N 1 0 382.453 1.293 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210851 953074819 /nfs/dbraw/zinc/07/48/19/953074819.db2.gz YMBHEILPRFFQGB-KURKYZTESA-N 1 0 382.468 1.611 20 0 GDADRO O=C(N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1-c1nn[nH]n1)C2)[C@H]1CCOC1 ZINC001571211571 953078770 /nfs/dbraw/zinc/07/87/70/953078770.db2.gz BXIKDKVPOLJBMY-FTRWYGJKSA-N 1 0 382.468 1.374 20 0 GDADRO O=C(N[C@H]1CC[C@H](Nc2ccc(-c3nn[nH]n3)nc2)CC1)C12CC[NH+](CC1)C2 ZINC001571218851 953120041 /nfs/dbraw/zinc/12/00/41/953120041.db2.gz RXNIIQCYBLCOSO-HDJSIYSDSA-N 1 0 382.472 1.197 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3cnco3)C2)cc1-c1nn[nH]n1 ZINC001571218992 953121655 /nfs/dbraw/zinc/12/16/55/953121655.db2.gz IZLMXXAVEZDXRA-WCQYABFASA-N 1 0 383.412 1.256 20 0 GDADRO Cc1cc(N(C)C[C@H]2CCCCN2C(=O)c2cnon2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571224923 953151494 /nfs/dbraw/zinc/15/14/94/953151494.db2.gz GRAKHFYPMROOMN-GFCCVEGCSA-N 1 0 383.416 1.084 20 0 GDADRO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1F ZINC001571229223 953168225 /nfs/dbraw/zinc/16/82/25/953168225.db2.gz BESNLQNUWRRLDA-AWEZNQCLSA-N 1 0 383.431 1.894 20 0 GDADRO CC1(C)CN(C(=O)c2cc[nH]c2)C[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571229993 953172736 /nfs/dbraw/zinc/17/27/36/953172736.db2.gz QKUPSOXWLQRJQN-INIZCTEOSA-N 1 0 383.431 1.974 20 0 GDADRO Cc1cc(N2CC[C@@H]3CN(C(=O)[C@@H]4CCCO4)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233308 953191404 /nfs/dbraw/zinc/19/14/04/953191404.db2.gz RLTBLOPUVLKCMI-KEYYUXOJSA-N 1 0 383.456 1.034 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)C3=COCCC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233389 953192475 /nfs/dbraw/zinc/19/24/75/953192475.db2.gz UCEIPXVZHAQFJH-HNNXBMFYSA-N 1 0 383.456 1.740 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)s1 ZINC001571233816 953195743 /nfs/dbraw/zinc/19/57/43/953195743.db2.gz FDONDRMXPRQDFT-CQSZACIVSA-N 1 0 383.481 1.944 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cc1cncs1 ZINC001571233989 953197664 /nfs/dbraw/zinc/19/76/64/953197664.db2.gz JUQYHBMKZINTRS-IUODEOHRSA-N 1 0 383.481 1.645 20 0 GDADRO Cc1ncsc1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234180 953199987 /nfs/dbraw/zinc/19/99/87/953199987.db2.gz OWYNMDMIBPCWHZ-AWEZNQCLSA-N 1 0 383.481 1.884 20 0 GDADRO O=C(Cc1cscn1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571234449 953202127 /nfs/dbraw/zinc/20/21/27/953202127.db2.gz YBPTVYHEXGWRLA-AWEZNQCLSA-N 1 0 383.481 1.647 20 0 GDADRO Cc1c[nH]c(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)CC2)n1 ZINC001571238794 953233157 /nfs/dbraw/zinc/23/31/57/953233157.db2.gz AIUNDSSWQIXGPS-UHFFFAOYSA-N 1 0 384.419 1.432 20 0 GDADRO CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)n1 ZINC001571239401 953238440 /nfs/dbraw/zinc/23/84/40/953238440.db2.gz KJSDAPYRBBSCNC-OKILXGFUSA-N 1 0 384.419 1.273 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1cc[nH]n1 ZINC001571239558 953240605 /nfs/dbraw/zinc/24/06/05/953240605.db2.gz MLZISIQMZGQXAE-BDJLRTHQSA-N 1 0 384.419 1.051 20 0 GDADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001571239626 953241122 /nfs/dbraw/zinc/24/11/22/953241122.db2.gz ODQSPWHVHQNGPG-UHFFFAOYSA-N 1 0 384.419 1.466 20 0 GDADRO Cc1nc[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571239740 953242194 /nfs/dbraw/zinc/24/21/94/953242194.db2.gz RWNCUVZDZZJTSA-MEBBXXQBSA-N 1 0 384.419 1.288 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)[nH]n1 ZINC001571239899 953243698 /nfs/dbraw/zinc/24/36/98/953243698.db2.gz UIEUIHHCBIOVJV-CYBMUJFWSA-N 1 0 384.419 1.432 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2=COCCO2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571241825 953250463 /nfs/dbraw/zinc/25/04/63/953250463.db2.gz MHWPNQHUIZEITB-XJKSGUPXSA-N 1 0 384.440 1.224 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2=COCCO2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571241822 953250705 /nfs/dbraw/zinc/25/07/05/953250705.db2.gz MHWPNQHUIZEITB-BBRMVZONSA-N 1 0 384.440 1.224 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(CCF)c1 ZINC001571241869 953250861 /nfs/dbraw/zinc/25/08/61/953250861.db2.gz OCLUHUBCMLASKG-IYBDPMFKSA-N 1 0 384.419 1.083 20 0 GDADRO O=C(Cc1cc[nH]n1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001571241908 953251504 /nfs/dbraw/zinc/25/15/04/953251504.db2.gz PHBXWQQCIKINPK-UHFFFAOYSA-N 1 0 384.419 1.052 20 0 GDADRO CN(C(=O)C1=COCCO1)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571242267 953254356 /nfs/dbraw/zinc/25/43/56/953254356.db2.gz YCHXMGLKFKBTQW-UHFFFAOYSA-N 1 0 384.440 1.178 20 0 GDADRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ncc[nH]1 ZINC001571242235 953255026 /nfs/dbraw/zinc/25/50/26/953255026.db2.gz XIDGYTPSOWNZMY-FZMZJTMJSA-N 1 0 384.419 1.417 20 0 GDADRO CCc1noc(C)c1C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571242488 953257062 /nfs/dbraw/zinc/25/70/62/953257062.db2.gz HRSLSFRQKYVMPV-JQWIXIFHSA-N 1 0 384.444 1.446 20 0 GDADRO CCc1cnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571242646 953258529 /nfs/dbraw/zinc/25/85/29/953258529.db2.gz KXOJHHRALJLKEM-QWHCGFSZSA-N 1 0 384.444 1.576 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cnn1 ZINC001571244567 953265215 /nfs/dbraw/zinc/26/52/15/953265215.db2.gz BASYUCQSWHPEME-CYBMUJFWSA-N 1 0 384.469 1.421 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)c2ccns2)C1 ZINC001571246112 953280034 /nfs/dbraw/zinc/28/00/34/953280034.db2.gz TURSOYSIESSLFM-VXGBXAGGSA-N 1 0 384.469 1.493 20 0 GDADRO CC1(C)CN(C(=O)c2cnns2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571246376 953282720 /nfs/dbraw/zinc/28/27/20/953282720.db2.gz ZKZYFYSQTSOKAL-CQSZACIVSA-N 1 0 384.469 1.359 20 0 GDADRO CN(C(=O)C[C@@H]1CCCOC1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571247751 953285466 /nfs/dbraw/zinc/28/54/66/953285466.db2.gz DHKXYHPPDMPDMO-ZLPCBKJTSA-N 1 0 384.484 1.762 20 0 GDADRO CC1(C)CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001571248170 953290571 /nfs/dbraw/zinc/29/05/71/953290571.db2.gz MQRGEHIAHCKZNL-SJORKVTESA-N 1 0 384.484 1.354 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC001571248690 953296126 /nfs/dbraw/zinc/29/61/26/953296126.db2.gz XRHVPAFDPJJHGW-SJLPKXTDSA-N 1 0 384.484 1.716 20 0 GDADRO Cc1cc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571248875 953297737 /nfs/dbraw/zinc/29/77/37/953297737.db2.gz KXZZRXVCTHFJHK-IUODEOHRSA-N 1 0 384.444 1.570 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001571249187 953301756 /nfs/dbraw/zinc/30/17/56/953301756.db2.gz FOERLOZRFJZMSI-GDBMZVCRSA-N 1 0 384.488 1.077 20 0 GDADRO O=C(NCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@H]1CCCOC1 ZINC001571249270 953302283 /nfs/dbraw/zinc/30/22/83/953302283.db2.gz HBWFTKLZKOUJGL-SFHVURJKSA-N 1 0 384.484 1.622 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571249280 953303567 /nfs/dbraw/zinc/30/35/67/953303567.db2.gz HIRNEUAUGKERNC-YOEHRIQHSA-N 1 0 384.488 1.221 20 0 GDADRO O=C(CC[C@@H]1CCOC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571249603 953305534 /nfs/dbraw/zinc/30/55/34/953305534.db2.gz JQCVNJWLNATVJH-SJLPKXTDSA-N 1 0 384.484 1.764 20 0 GDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CC3(C)C)CC2)cc1-c1nn[nH]n1 ZINC001571249910 953308250 /nfs/dbraw/zinc/30/82/50/953308250.db2.gz MLWRBMGUBCIHCL-MRXNPFEDSA-N 1 0 384.484 1.956 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001571250821 953313610 /nfs/dbraw/zinc/31/36/10/953313610.db2.gz SXPYCBBSHAPTTF-MRXNPFEDSA-N 1 0 384.488 1.397 20 0 GDADRO Cc1nc(N[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)ccc1-c1nn[nH]n1 ZINC001571252297 953326838 /nfs/dbraw/zinc/32/68/38/953326838.db2.gz KDOFOUZUCZMCSZ-GDBMZVCRSA-N 1 0 384.488 1.456 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3ccc(F)cc3F)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571254418 953338731 /nfs/dbraw/zinc/33/87/31/953338731.db2.gz CXSCTKWYDJHOII-LBPRGKRZSA-N 1 0 385.378 1.597 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)no1 ZINC001571254776 953341579 /nfs/dbraw/zinc/34/15/79/953341579.db2.gz IQKGKPQWJQCUNN-CQSZACIVSA-N 1 0 385.403 1.697 20 0 GDADRO O=C(Cc1ccon1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571256162 953366563 /nfs/dbraw/zinc/36/65/63/953366563.db2.gz ZNSARGCWODRGKA-HNNXBMFYSA-N 1 0 385.403 1.317 20 0 GDADRO C[N@H+](CCN1CC[NH+](CC2(O)CCC(C(=O)[O-])CC2)CC1)Cc1ccccc1 ZINC001593751412 954417799 /nfs/dbraw/zinc/41/77/99/954417799.db2.gz GBPHCTLITHIGOR-UHFFFAOYSA-N 1 0 389.540 1.742 20 0 GDADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001593775458 954604840 /nfs/dbraw/zinc/60/48/40/954604840.db2.gz QSVVKRWSGPJRBD-UHFFFAOYSA-N 1 0 378.473 1.434 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000874387852 969373236 /nfs/dbraw/zinc/37/32/36/969373236.db2.gz GEEQEXQWMBUYBA-UHFFFAOYSA-N 1 0 388.512 1.747 20 0 GDADRO C[NH+](C)CCOc1ccc(CCC(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)cc1 ZINC000923102401 982725793 /nfs/dbraw/zinc/72/57/93/982725793.db2.gz NLEANRAJYQMPTQ-UHFFFAOYSA-N 1 0 391.512 1.567 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)[C@H](C)C[NH2+]1 ZINC001594479611 985517412 /nfs/dbraw/zinc/51/74/12/985517412.db2.gz MDPWAGRNVIBPTE-HUUCEWRRSA-N 1 0 375.473 1.107 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001594516654 985911041 /nfs/dbraw/zinc/91/10/41/985911041.db2.gz QHCBEKBQBSOIFS-VXESANQCSA-N 1 0 380.533 1.974 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC001598190793 990779190 /nfs/dbraw/zinc/77/91/90/990779190.db2.gz LMXHYDMTHABDOA-APWZRJJASA-N 1 0 388.512 1.952 20 0 GDADRO C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CC1 ZINC001598586325 993388879 /nfs/dbraw/zinc/38/88/79/993388879.db2.gz MNMTXPZUZUNETM-DLBZAZTESA-N 1 0 379.888 1.650 20 0 GDADRO CO[C@@H]1CCC[C@H]([C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C(=O)[O-])C1 ZINC001599111811 997582611 /nfs/dbraw/zinc/58/26/11/997582611.db2.gz ZPMBYRGJWKTHID-DMUMMCEESA-N 1 0 391.512 1.654 20 0 GDADRO COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001599463011 998306694 /nfs/dbraw/zinc/30/66/94/998306694.db2.gz QERFRIZCEVODJA-LJQANCHMSA-N 1 0 375.400 1.748 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001594237374 998904426 /nfs/dbraw/zinc/90/44/26/998904426.db2.gz XJHXJEXKLPNWID-CABCVRRESA-N 1 0 375.473 1.094 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)cc1OC ZINC000873192280 1126120442 /nfs/dbraw/zinc/12/04/42/1126120442.db2.gz CLLANBUXNYQAFZ-YLJYHZDGSA-N 1 0 390.484 1.558 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2c3c(nn2C)CCOC3)cc1OC ZINC000922330591 1126135022 /nfs/dbraw/zinc/13/50/22/1126135022.db2.gz UNDGBHYWDGAXIX-HXUWFJFHSA-N 1 0 375.469 1.593 20 0 GDADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC001593523196 1126217597 /nfs/dbraw/zinc/21/75/97/1126217597.db2.gz JGWNIFXHPSAQCD-OAHLLOKOSA-N 1 0 388.435 1.689 20 0 GDADRO COC(=O)c1cccc(C[NH2+]C2(CO)Cc3ccccc3C2)c1-c1nn[nH]n1 ZINC001609305144 1126238812 /nfs/dbraw/zinc/23/88/12/1126238812.db2.gz VOMVQGBSOUAQCD-UHFFFAOYSA-N 1 0 379.420 1.273 20 0 GDADRO CN1C(=O)COc2ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc21 ZINC000426429837 231220627 /nfs/dbraw/zinc/22/06/27/231220627.db2.gz QDQINTOQOPHPOF-HNNXBMFYSA-N 1 0 376.457 1.616 20 0 GDADRO COc1ccc(Br)c(CC(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000158650370 530534503 /nfs/dbraw/zinc/53/45/03/530534503.db2.gz MHUIHLWQECBKES-UHFFFAOYSA-N 1 0 385.302 1.963 20 0 GDADRO CNC(=O)C[NH+]1CCC(N[C@H](C(=O)OC)c2cccc(Br)c2)CC1 ZINC000158814717 530536035 /nfs/dbraw/zinc/53/60/35/530536035.db2.gz SVXOSIXBULNASL-INIZCTEOSA-N 1 0 398.301 1.463 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000158902499 530536661 /nfs/dbraw/zinc/53/66/61/530536661.db2.gz KIVRZKHDYSBGEZ-LLVKDONJSA-N 1 0 384.395 1.970 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000158925152 530537475 /nfs/dbraw/zinc/53/74/75/530537475.db2.gz JKYKQRSPEADMJC-CYBMUJFWSA-N 1 0 377.304 1.574 20 0 GDADRO CC(C)[N@H+]1C[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)[C@@H](C)C1 ZINC000159083314 530539753 /nfs/dbraw/zinc/53/97/53/530539753.db2.gz RBRMJTKWNLCRET-KBPBESRZSA-N 1 0 385.555 1.991 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc(Br)ccc1Br ZINC000160996908 530556406 /nfs/dbraw/zinc/55/64/06/530556406.db2.gz FELMVZLXFZHMFB-SECBINFHSA-N 1 0 378.064 1.930 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000161712498 530562882 /nfs/dbraw/zinc/56/28/82/530562882.db2.gz SMLQMYHAMISYAK-CYBMUJFWSA-N 1 0 376.906 1.864 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000161755088 530563770 /nfs/dbraw/zinc/56/37/70/530563770.db2.gz CICXZBNMYFZJFC-RYUDHWBXSA-N 1 0 379.258 1.545 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000162709000 530570030 /nfs/dbraw/zinc/57/00/30/530570030.db2.gz LRWFHNGFCMWTBY-SJORKVTESA-N 1 0 396.329 1.721 20 0 GDADRO C[N@H+](CC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)[C@H]1CCSC1 ZINC000162863479 530571269 /nfs/dbraw/zinc/57/12/69/530571269.db2.gz DRGHVYYEQQKWDF-INIZCTEOSA-N 1 0 381.929 1.948 20 0 GDADRO Cc1nc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)sc1Cc1ccc(F)cc1 ZINC000162980964 530572372 /nfs/dbraw/zinc/57/23/72/530572372.db2.gz KCWGEUOTWDXONA-CYBMUJFWSA-N 1 0 385.486 1.882 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCC[C@H](O)C2)c1 ZINC000023991968 530576710 /nfs/dbraw/zinc/57/67/10/530576710.db2.gz IFZZSUHQZFDFQN-LBPRGKRZSA-N 1 0 389.905 1.376 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000170866043 530590055 /nfs/dbraw/zinc/59/00/55/530590055.db2.gz JSEINURCIINUMM-GFCCVEGCSA-N 1 0 379.258 1.322 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000170953895 530591532 /nfs/dbraw/zinc/59/15/32/530591532.db2.gz SOQLMSHDFZZRKN-LLVKDONJSA-N 1 0 384.274 1.544 20 0 GDADRO CC[NH+]1CCN(CCC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000171269646 530596944 /nfs/dbraw/zinc/59/69/44/530596944.db2.gz TVEXWLODDZSUGV-UHFFFAOYSA-N 1 0 387.933 1.258 20 0 GDADRO Cc1ccc(I)c(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000171314298 530597574 /nfs/dbraw/zinc/59/75/74/530597574.db2.gz IEMXQZZPLVCESC-UHFFFAOYSA-N 1 0 387.265 1.577 20 0 GDADRO Cc1ccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc1I ZINC000037029008 530615363 /nfs/dbraw/zinc/61/53/63/530615363.db2.gz MGZLWHDEWUAODQ-NSHDSACASA-N 1 0 396.250 1.300 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000171880138 530604961 /nfs/dbraw/zinc/60/49/61/530604961.db2.gz RIXXSGRYBGGVPH-UHFFFAOYSA-N 1 0 380.290 1.645 20 0 GDADRO CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)o1 ZINC000032763095 530608951 /nfs/dbraw/zinc/60/89/51/530608951.db2.gz HBRDJXHNESEARJ-LBPRGKRZSA-N 1 0 383.495 1.816 20 0 GDADRO O=S(=O)(NCCC[NH2+]C1CC1)c1ccc(I)cc1 ZINC000036267385 530614343 /nfs/dbraw/zinc/61/43/43/530614343.db2.gz WVBNMISEHOSKIP-UHFFFAOYSA-N 1 0 380.251 1.712 20 0 GDADRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc(I)cc1 ZINC000168106647 530584823 /nfs/dbraw/zinc/58/48/23/530584823.db2.gz ZTANQCPLKSHKOK-AWEZNQCLSA-N 1 0 385.205 1.465 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000173200305 530625602 /nfs/dbraw/zinc/62/56/02/530625602.db2.gz XQOLGIPIKNORTR-LLVKDONJSA-N 1 0 395.294 1.977 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)COc2ccc(F)cc2Br)CC1 ZINC000042589749 530630012 /nfs/dbraw/zinc/63/00/12/530630012.db2.gz MGUBLENJMIUCBR-UHFFFAOYSA-N 1 0 388.281 1.721 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000043472669 530635163 /nfs/dbraw/zinc/63/51/63/530635163.db2.gz CZSFSGDSSLBXQA-ZDUSSCGKSA-N 1 0 388.559 1.849 20 0 GDADRO COc1ccc(Br)cc1CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000173726875 530635830 /nfs/dbraw/zinc/63/58/30/530635830.db2.gz QDNLZABHPNLALE-CYBMUJFWSA-N 1 0 384.318 1.752 20 0 GDADRO Cn1nc2c(cc1=O)C[N@@H+](C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000172791213 530617934 /nfs/dbraw/zinc/61/79/34/530617934.db2.gz ZQHNIEOFZODZOO-AWEZNQCLSA-N 1 0 394.269 1.341 20 0 GDADRO C[C@H](Oc1cccc(Br)c1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000172970416 530620284 /nfs/dbraw/zinc/62/02/84/530620284.db2.gz HXOLUQLCNINPHZ-AWEZNQCLSA-N 1 0 384.318 1.970 20 0 GDADRO CCCCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000173048952 530622040 /nfs/dbraw/zinc/62/20/40/530622040.db2.gz RNKYBPFCWQGZRX-HNNXBMFYSA-N 1 0 375.579 1.921 20 0 GDADRO CCS(=O)(=O)NCCCNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000051686140 530680793 /nfs/dbraw/zinc/68/07/93/530680793.db2.gz DYGSDJBIRRRKFH-HOTGVXAUSA-N 1 0 376.567 1.373 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000051762517 530681436 /nfs/dbraw/zinc/68/14/36/530681436.db2.gz MPTGAAOVZYCUNZ-AWEZNQCLSA-N 1 0 390.311 1.439 20 0 GDADRO C[C@@H](O)CN1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000174287969 530646482 /nfs/dbraw/zinc/64/64/82/530646482.db2.gz HVWLMUQEOPQACM-VXGBXAGGSA-N 1 0 399.285 1.747 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)CSCc2cc(=O)n3ccsc3n2)C1 ZINC000047146472 530656088 /nfs/dbraw/zinc/65/60/88/530656088.db2.gz FJVYIKKAJSMRSR-ZDUSSCGKSA-N 1 0 380.539 1.837 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000174927901 530656707 /nfs/dbraw/zinc/65/67/07/530656707.db2.gz FORIHLQFQUCETP-QMMMGPOBSA-N 1 0 376.201 1.734 20 0 GDADRO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000047262032 530657685 /nfs/dbraw/zinc/65/76/85/530657685.db2.gz ZTJWUOZARPCCSI-VIFPVBQESA-N 1 0 398.261 1.078 20 0 GDADRO C[NH+]1CCC(NC(=O)c2ccc3ncc(I)n3c2)CC1 ZINC000175781753 530670820 /nfs/dbraw/zinc/67/08/20/530670820.db2.gz BCDUPTXCCXQTFB-UHFFFAOYSA-N 1 0 384.221 1.763 20 0 GDADRO COc1cc(C[NH2+]CCS(C)(=O)=O)cc(I)c1OC ZINC000049470934 530674089 /nfs/dbraw/zinc/67/40/89/530674089.db2.gz MKHLXPFCSXLCPN-UHFFFAOYSA-N 1 0 399.250 1.443 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000175974021 530674394 /nfs/dbraw/zinc/67/43/94/530674394.db2.gz HTUGIMIWBHZPPL-INIZCTEOSA-N 1 0 387.933 1.875 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000176038595 530675641 /nfs/dbraw/zinc/67/56/41/530675641.db2.gz UONICJIMHWSLLY-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO C[C@H]1CCC[C@](CNC(=O)NCc2ccc(S(N)(=O)=O)s2)([NH+](C)C)C1 ZINC000052500564 530685658 /nfs/dbraw/zinc/68/56/58/530685658.db2.gz QTEGIRWGTBNFFH-LRDDRELGSA-N 1 0 388.559 1.705 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000176696752 530688611 /nfs/dbraw/zinc/68/86/11/530688611.db2.gz KZYVDJPKDYNZFE-UHFFFAOYSA-N 1 0 385.511 1.594 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000176691155 530688669 /nfs/dbraw/zinc/68/86/69/530688669.db2.gz VYUPZCLQVLQWTN-LLVKDONJSA-N 1 0 398.248 1.963 20 0 GDADRO C[NH+](C)C[C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000176695027 530688905 /nfs/dbraw/zinc/68/89/05/530688905.db2.gz PSPGBDRYPJPCBL-CQSZACIVSA-N 1 0 387.933 1.951 20 0 GDADRO CNS(=O)(=O)CC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000176921280 530693685 /nfs/dbraw/zinc/69/36/85/530693685.db2.gz LZJYDBPOJUKNDE-UHFFFAOYSA-N 1 0 381.420 1.145 20 0 GDADRO C[N@H+](CCNC(=O)Cn1cc(Br)ccc1=O)Cc1ccc(F)cc1 ZINC000177064027 530696515 /nfs/dbraw/zinc/69/65/15/530696515.db2.gz QNUXGFWOJGAYBV-UHFFFAOYSA-N 1 0 396.260 1.998 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000177606681 530706576 /nfs/dbraw/zinc/70/65/76/530706576.db2.gz GXEUHPMONVRMPQ-GHMZBOCLSA-N 1 0 379.935 1.669 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000177802981 530710835 /nfs/dbraw/zinc/71/08/35/530710835.db2.gz IYUXORIULOUJCK-NSHDSACASA-N 1 0 392.319 1.695 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000055901664 530712909 /nfs/dbraw/zinc/71/29/09/530712909.db2.gz NPCIHQLOGMGMHG-HNNXBMFYSA-N 1 0 385.555 1.427 20 0 GDADRO O=C(c1cc(I)c[nH]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178092059 530715760 /nfs/dbraw/zinc/71/57/60/530715760.db2.gz VGICCQNRYLKXBQ-LLVKDONJSA-N 1 0 389.237 1.414 20 0 GDADRO Cc1oc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000176504084 530684929 /nfs/dbraw/zinc/68/49/29/530684929.db2.gz HICRGNIKSMHDIP-LBPRGKRZSA-N 1 0 385.511 1.933 20 0 GDADRO CN(C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CC[NH2+]C1 ZINC000179120950 530735794 /nfs/dbraw/zinc/73/57/94/530735794.db2.gz QJGHLJFTJYVKRP-LBPRGKRZSA-N 1 0 394.269 1.646 20 0 GDADRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1Br ZINC000179424115 530740456 /nfs/dbraw/zinc/74/04/56/530740456.db2.gz CNOHXOKWQRZWON-INIZCTEOSA-N 1 0 396.329 1.780 20 0 GDADRO CCNC(=O)[C@H](C)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000063312947 530744830 /nfs/dbraw/zinc/74/48/30/530744830.db2.gz DLKYXEVLUSJOMN-VIFPVBQESA-N 1 0 392.237 1.923 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000178695438 530726142 /nfs/dbraw/zinc/72/61/42/530726142.db2.gz YMDWNCQPTIPHAJ-JTQLQIEISA-N 1 0 380.539 1.950 20 0 GDADRO O[C@H](Cn1cccn1)C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000178716697 530726263 /nfs/dbraw/zinc/72/62/63/530726263.db2.gz ZAHJPYHOCBAIJO-HNNXBMFYSA-N 1 0 397.292 1.963 20 0 GDADRO CC[NH+]1CCC(NC(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000057365583 530726333 /nfs/dbraw/zinc/72/63/33/530726333.db2.gz SJGKZKQWDNGYFX-UHFFFAOYSA-N 1 0 397.317 1.962 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000178730371 530726930 /nfs/dbraw/zinc/72/69/30/530726930.db2.gz AEDSGAZTCGLZLO-AWEZNQCLSA-N 1 0 379.507 1.708 20 0 GDADRO COc1cc(I)c(C(=O)NC[C@@H]2CCC[NH2+]2)cc1OC ZINC000178769731 530727453 /nfs/dbraw/zinc/72/74/53/530727453.db2.gz NLKFTZZGPXAFGD-VIFPVBQESA-N 1 0 390.221 1.790 20 0 GDADRO O=C1CCc2cc(Br)c(S(=O)(=O)NC[C@@H]3CCC[NH2+]3)cc2N1 ZINC000178920720 530730695 /nfs/dbraw/zinc/73/06/95/530730695.db2.gz HLCVPRGYNGLGRE-JTQLQIEISA-N 1 0 388.287 1.364 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000178921685 530730851 /nfs/dbraw/zinc/73/08/51/530730851.db2.gz WOGZKUCDVTVWET-NSHDSACASA-N 1 0 391.287 1.656 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000178982589 530733067 /nfs/dbraw/zinc/73/30/67/530733067.db2.gz OPSPFZVBKMJGMC-LBPRGKRZSA-N 1 0 399.563 1.970 20 0 GDADRO CNC(=O)NC(=O)CC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179552339 530744564 /nfs/dbraw/zinc/74/45/64/530744564.db2.gz GGBAJCPJUFGJTQ-UHFFFAOYSA-N 1 0 387.311 1.999 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000178999683 530733446 /nfs/dbraw/zinc/73/34/46/530733446.db2.gz DRXKQBUJRBAELE-ZDUSSCGKSA-N 1 0 389.315 1.432 20 0 GDADRO CN(C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000179107285 530735427 /nfs/dbraw/zinc/73/54/27/530735427.db2.gz VUFLSJZRNRMUQL-SNVBAGLBSA-N 1 0 380.297 1.482 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cnn2cc(Br)cnc12 ZINC000179775727 530749766 /nfs/dbraw/zinc/74/97/66/530749766.db2.gz CKVKHXNQVKUJDK-GFCCVEGCSA-N 1 0 384.278 1.578 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)c1nc2ncc(Br)cn2n1)c1cccs1 ZINC000065620424 530754514 /nfs/dbraw/zinc/75/45/14/530754514.db2.gz HWMHDHIEGFXLAN-SNVBAGLBSA-N 1 0 395.286 1.981 20 0 GDADRO C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000179601970 530745179 /nfs/dbraw/zinc/74/51/79/530745179.db2.gz ICSHATSKFXXQJB-NQBHXWOUSA-N 1 0 376.425 1.630 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)CC(C)C ZINC000067622597 530777389 /nfs/dbraw/zinc/77/73/89/530777389.db2.gz ZDBGVZTXRDNEJK-JKSUJKDBSA-N 1 0 376.567 1.466 20 0 GDADRO CCS(=O)(=O)c1ccc(Br)c(C(=O)NCCC[NH+](C)C)c1 ZINC000181131092 530778695 /nfs/dbraw/zinc/77/86/95/530778695.db2.gz STJCDMIFWYKIJB-UHFFFAOYSA-N 1 0 377.304 1.924 20 0 GDADRO CS(=O)(=O)CCOCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000181148911 530779269 /nfs/dbraw/zinc/77/92/69/530779269.db2.gz FERHYIOFVCCBSZ-UHFFFAOYSA-N 1 0 388.917 1.595 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000181177561 530779549 /nfs/dbraw/zinc/77/95/49/530779549.db2.gz NZBXRQIJBHUKHK-YPMHNXCESA-N 1 0 381.278 1.553 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[N@H+](C)C1CC1 ZINC000068216061 530785108 /nfs/dbraw/zinc/78/51/08/530785108.db2.gz CEWAIMKBNDBTRA-DZGCQCFKSA-N 1 0 385.555 1.890 20 0 GDADRO COC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)C1CC1 ZINC000181567064 530786546 /nfs/dbraw/zinc/78/65/46/530786546.db2.gz RBHRGMXWZFUTPB-CQSZACIVSA-N 1 0 384.274 1.518 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000069642596 530798276 /nfs/dbraw/zinc/79/82/76/530798276.db2.gz PHQZKFNGIQOUGB-OAHLLOKOSA-N 1 0 379.592 1.286 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000182535554 530801022 /nfs/dbraw/zinc/80/10/22/530801022.db2.gz JSMXSDBMGLOFEW-NSHDSACASA-N 1 0 377.304 1.592 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000182723124 530803305 /nfs/dbraw/zinc/80/33/05/530803305.db2.gz JKOAPTQVNMNVPT-UHFFFAOYSA-N 1 0 399.289 1.318 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000071068004 530803645 /nfs/dbraw/zinc/80/36/45/530803645.db2.gz CCGJKOLCXYSJOZ-UHFFFAOYSA-N 1 0 386.290 1.781 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000071972525 530805347 /nfs/dbraw/zinc/80/53/47/530805347.db2.gz NKIZGVGCRPXRET-CYBMUJFWSA-N 1 0 375.922 1.510 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000068644318 530790311 /nfs/dbraw/zinc/79/03/11/530790311.db2.gz WTHHGVQEWMBRRP-SNVBAGLBSA-N 1 0 375.878 1.138 20 0 GDADRO NC(=O)C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000181956172 530792969 /nfs/dbraw/zinc/79/29/69/530792969.db2.gz NMRITTNYOLSGGS-ZFWWWQNUSA-N 1 0 384.274 1.236 20 0 GDADRO Cc1ccc(NC(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c(Br)c1 ZINC000181968374 530793011 /nfs/dbraw/zinc/79/30/11/530793011.db2.gz JQUIBZCHFFQYKJ-HNNXBMFYSA-N 1 0 398.301 1.956 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000182017347 530793642 /nfs/dbraw/zinc/79/36/42/530793642.db2.gz BKFONBCFOHJJLW-UHFFFAOYSA-N 1 0 380.436 1.358 20 0 GDADRO COc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)cc1Br ZINC000182066181 530794194 /nfs/dbraw/zinc/79/41/94/530794194.db2.gz PFXAFKJJHLHEAT-WDEREUQCSA-N 1 0 386.290 1.701 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC(C)(C)NS(C)(=O)=O)C1 ZINC000069076801 530794505 /nfs/dbraw/zinc/79/45/05/530794505.db2.gz PPILLOZEGIBGTI-GASCZTMLSA-N 1 0 376.567 1.372 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000069137891 530795433 /nfs/dbraw/zinc/79/54/33/530795433.db2.gz CUIOZRRJNGASEJ-AWEZNQCLSA-N 1 0 387.933 1.809 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000069191202 530796026 /nfs/dbraw/zinc/79/60/26/530796026.db2.gz YRHQNIAMVBCRRC-HOTGVXAUSA-N 1 0 387.571 1.467 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000184359976 530827577 /nfs/dbraw/zinc/82/75/77/530827577.db2.gz VLDPYWCCUOYBPJ-CYBMUJFWSA-N 1 0 387.933 1.499 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)COc1ccccc1Br ZINC000184406093 530828283 /nfs/dbraw/zinc/82/82/83/530828283.db2.gz QEIAOTWULOUTTQ-CQSZACIVSA-N 1 0 384.318 1.970 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CN1CSCC1=O)c1cccc(C(F)(F)F)c1 ZINC000184828276 530832292 /nfs/dbraw/zinc/83/22/92/530832292.db2.gz NNYCTILLNTUONH-CYBMUJFWSA-N 1 0 375.416 1.957 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CN3C(=O)c4ccc(Br)cc4C3=O)C[C@@H]12 ZINC000185018985 530835523 /nfs/dbraw/zinc/83/55/23/530835523.db2.gz LXFBTTIVEGNLNR-CUOATXAZSA-N 1 0 392.253 1.241 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000084935764 530808884 /nfs/dbraw/zinc/80/88/84/530808884.db2.gz WKVCNKLDXYVAKC-UHFFFAOYSA-N 1 0 376.544 1.717 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000183243961 530811785 /nfs/dbraw/zinc/81/17/85/530811785.db2.gz YQOMBJPUJIQUME-AWEZNQCLSA-N 1 0 387.933 1.401 20 0 GDADRO COC[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000183434326 530814621 /nfs/dbraw/zinc/81/46/21/530814621.db2.gz WRBMRXQLOXMYBY-ZBFHGGJFSA-N 1 0 386.539 1.278 20 0 GDADRO O=C(c1cnn2cc(Br)cnc12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000093906779 530814678 /nfs/dbraw/zinc/81/46/78/530814678.db2.gz WIDJAUMCKMCDTN-UHFFFAOYSA-N 1 0 387.241 1.849 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)c1cnn2cc(Br)cnc12 ZINC000094013483 530814974 /nfs/dbraw/zinc/81/49/74/530814974.db2.gz VNJGMVWIHVZRKT-UHFFFAOYSA-N 1 0 382.262 1.334 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000097528327 530821683 /nfs/dbraw/zinc/82/16/83/530821683.db2.gz HMBORMXXEPHUQX-AOOOYVTPSA-N 1 0 378.235 1.131 20 0 GDADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000185901751 530848518 /nfs/dbraw/zinc/84/85/18/530848518.db2.gz MOYIRBLFPRPYHX-AEFFLSMTSA-N 1 0 383.945 1.534 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCOc1ccccc1Br ZINC000106815984 530849864 /nfs/dbraw/zinc/84/98/64/530849864.db2.gz MTAHSSUZZQGLIK-CQSZACIVSA-N 1 0 384.318 1.970 20 0 GDADRO CN(CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)S(C)(=O)=O ZINC000186129856 530852011 /nfs/dbraw/zinc/85/20/11/530852011.db2.gz ZGLIMSWEQYJUJS-CYBMUJFWSA-N 1 0 381.420 1.316 20 0 GDADRO CN(CCOc1ccc(Cl)cc1)C(=O)CS(=O)(=O)Cc1nccn1C ZINC000107075077 530852315 /nfs/dbraw/zinc/85/23/15/530852315.db2.gz GFDJOFYSDMSOMR-UHFFFAOYSA-N 1 0 385.873 1.526 20 0 GDADRO C[C@@H](c1nnc(SCCNS(C)(=O)=O)n1-c1ccc(F)cc1)N(C)C ZINC000107099567 530852386 /nfs/dbraw/zinc/85/23/86/530852386.db2.gz UAQUMFUNBKGILQ-NSHDSACASA-N 1 0 387.506 1.670 20 0 GDADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000186259914 530853642 /nfs/dbraw/zinc/85/36/42/530853642.db2.gz TVYUJTHXKMILMD-UHFFFAOYSA-N 1 0 376.404 1.986 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC3=CC[NH2+]CC3)C2)s1 ZINC000186297720 530854432 /nfs/dbraw/zinc/85/44/32/530854432.db2.gz GACBQEYLQLHULG-HNNXBMFYSA-N 1 0 383.539 1.493 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000108328847 530856942 /nfs/dbraw/zinc/85/69/42/530856942.db2.gz MWBHDIKJMPTCEM-LBPRGKRZSA-N 1 0 393.285 1.617 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)CC[N@H+](C)C2CC2)s1 ZINC000186776669 530862093 /nfs/dbraw/zinc/86/20/93/530862093.db2.gz UDKUUYDMITVAEO-OAHLLOKOSA-N 1 0 385.555 1.762 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000109848130 530864827 /nfs/dbraw/zinc/86/48/27/530864827.db2.gz JJEZONOIGJQWOP-WFASDCNBSA-N 1 0 380.286 1.870 20 0 GDADRO COc1ccc(CNC(=O)NCC[N@@H+]2CCCOCC2)cc1Br ZINC000187117243 530867159 /nfs/dbraw/zinc/86/71/59/530867159.db2.gz IJXFTXRAQNYMJV-UHFFFAOYSA-N 1 0 386.290 1.979 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000187182131 530868233 /nfs/dbraw/zinc/86/82/33/530868233.db2.gz LBBLDNTXZBJGCW-JTQLQIEISA-N 1 0 378.292 1.305 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000110654179 530868912 /nfs/dbraw/zinc/86/89/12/530868912.db2.gz MFHFGMXGJKNHCP-QWRGUYRKSA-N 1 0 394.269 1.502 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)C2CCS(=O)(=O)CC2)s1 ZINC000187383270 530872078 /nfs/dbraw/zinc/87/20/78/530872078.db2.gz XTBUORYRPACFFA-GFCCVEGCSA-N 1 0 380.557 1.138 20 0 GDADRO CCCN(CC[NH+](C)C)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000104530672 530838776 /nfs/dbraw/zinc/83/87/76/530838776.db2.gz VBFBKXZVBYREMD-UHFFFAOYSA-N 1 0 396.285 1.845 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccccc1Br ZINC000185334205 530839980 /nfs/dbraw/zinc/83/99/80/530839980.db2.gz ZKERLJQQNFVLRZ-CYBMUJFWSA-N 1 0 390.347 1.753 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000105217882 530841328 /nfs/dbraw/zinc/84/13/28/530841328.db2.gz GGXMOEWEWSPDBY-OAHLLOKOSA-N 1 0 397.317 1.915 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(I)c[nH]1 ZINC000115370995 530899951 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CC(C)[N@H+](C)CCNC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000112928882 530886269 /nfs/dbraw/zinc/88/62/69/530886269.db2.gz LXUJPIMACYQZHB-UHFFFAOYSA-N 1 0 398.348 1.245 20 0 GDADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1nncs1 ZINC000188168011 530888156 /nfs/dbraw/zinc/88/81/56/530888156.db2.gz DAZHLAIHESAGRN-QGZVFWFLSA-N 1 0 378.523 1.726 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000114047023 530892665 /nfs/dbraw/zinc/89/26/65/530892665.db2.gz VXSKBKDQWGDNIL-UHFFFAOYSA-N 1 0 384.274 1.615 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCOCC1 ZINC000114211201 530893269 /nfs/dbraw/zinc/89/32/69/530893269.db2.gz FPMKBPVVSZXRAG-UHFFFAOYSA-N 1 0 382.404 1.974 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)s2)CCOCC1 ZINC000114211320 530893508 /nfs/dbraw/zinc/89/35/08/530893508.db2.gz CTPJGWNWSVLEJP-UHFFFAOYSA-N 1 0 383.333 1.900 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)cc1Cl ZINC000119703054 530930624 /nfs/dbraw/zinc/93/06/24/530930624.db2.gz 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384.274 1.064 20 0 GDADRO C[NH+](C)CCNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000120333421 530939116 /nfs/dbraw/zinc/93/91/16/530939116.db2.gz RXWYVYHVOFFBGO-UHFFFAOYSA-N 1 0 380.539 1.774 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000120476465 530941067 /nfs/dbraw/zinc/94/10/67/530941067.db2.gz CLKVULQBXIWTSP-IAQYHMDHSA-N 1 0 383.495 1.801 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CNS(=O)(=O)c1cccs1)Cc1ccccc1 ZINC000120679523 530944151 /nfs/dbraw/zinc/94/41/51/530944151.db2.gz AWVYRWBWLXYIQP-HNNXBMFYSA-N 1 0 381.523 1.316 20 0 GDADRO CC(C)N(CCCNC(=O)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C)S(C)(=O)=O ZINC000120801932 530945482 /nfs/dbraw/zinc/94/54/82/530945482.db2.gz RREFQSAQIVGKQC-HOTGVXAUSA-N 1 0 375.579 1.967 20 0 GDADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000191253766 530946243 /nfs/dbraw/zinc/94/62/43/530946243.db2.gz GVUDMFSIEIRBPH-UHFFFAOYSA-N 1 0 376.201 1.830 20 0 GDADRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000121002519 530949214 /nfs/dbraw/zinc/94/92/14/530949214.db2.gz ILAOSSGTSPFCBU-CQSZACIVSA-N 1 0 389.949 1.601 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C)c1Br ZINC000121072976 530950138 /nfs/dbraw/zinc/95/01/38/530950138.db2.gz OHWUSXDFHZGIOS-UHFFFAOYSA-N 1 0 386.290 1.781 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCc3cc(Br)ccc3C2)CC1=O ZINC000191605763 530950917 /nfs/dbraw/zinc/95/09/17/530950917.db2.gz QMGAFGIOBKPQQT-OAHLLOKOSA-N 1 0 394.313 1.744 20 0 GDADRO C[NH2+]CCCNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000121374944 530955829 /nfs/dbraw/zinc/95/58/29/530955829.db2.gz KGBKDJHDWNSGIP-UHFFFAOYSA-N 1 0 381.523 1.608 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1Br ZINC000192922549 530976450 /nfs/dbraw/zinc/97/64/50/530976450.db2.gz DZROYEVYZZIDMY-PHIMTYICSA-N 1 0 375.288 1.640 20 0 GDADRO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000122895472 530977017 /nfs/dbraw/zinc/97/70/17/530977017.db2.gz RKQXJGKZZZLNAD-VIFPVBQESA-N 1 0 377.260 1.251 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)C1 ZINC000193391423 530985411 /nfs/dbraw/zinc/98/54/11/530985411.db2.gz LBUBRENRQRGCMI-LBPRGKRZSA-N 1 0 383.290 1.891 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)ncc1Br ZINC000193047226 530978483 /nfs/dbraw/zinc/97/84/83/530978483.db2.gz CCLDQBIMKPMSIO-LLVKDONJSA-N 1 0 383.290 1.939 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC000123002330 530978797 /nfs/dbraw/zinc/97/87/97/530978797.db2.gz ZJKRTUZNBSZMQN-ZDUSSCGKSA-N 1 0 388.559 1.563 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1Cl ZINC000123153327 530979984 /nfs/dbraw/zinc/97/99/84/530979984.db2.gz BWHVSPXYPZDBFH-INIZCTEOSA-N 1 0 385.917 1.576 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC[NH2+]CC2)c(OC)cc1Br ZINC000193232417 530982268 /nfs/dbraw/zinc/98/22/68/530982268.db2.gz WRVJQTQQSJYFPF-UHFFFAOYSA-N 1 0 379.276 1.450 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1Br ZINC000123403611 530983223 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GDADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000193858763 530994789 /nfs/dbraw/zinc/99/47/89/530994789.db2.gz CLLFPMTVEJTRDN-LBPRGKRZSA-N 1 0 377.457 1.135 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000124621133 530998085 /nfs/dbraw/zinc/99/80/85/530998085.db2.gz YPDTYUBTVPEFIZ-OAHLLOKOSA-N 1 0 382.302 1.631 20 0 GDADRO COc1nc(N2CCN(Cc3ccnc(N)c3)CC2)ncc1Br ZINC000193375617 530985710 /nfs/dbraw/zinc/98/57/10/530985710.db2.gz DIMUJXQCOSLWAO-UHFFFAOYSA-N 1 0 379.262 1.547 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000193416755 530985850 /nfs/dbraw/zinc/98/58/50/530985850.db2.gz VLJHKFCVPOKTQP-YMTOWFKASA-N 1 0 390.303 1.684 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000193417761 530986159 /nfs/dbraw/zinc/98/61/59/530986159.db2.gz PKJDBDQQMKQJGS-KOLCDFICSA-N 1 0 393.303 1.743 20 0 GDADRO Cc1nc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1Br ZINC000193523388 530988513 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O=C(NCCn1cc(Br)ccc1=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000521362413 531244991 /nfs/dbraw/zinc/24/49/91/531244991.db2.gz ADWOSVBMNFOAJK-UHFFFAOYSA-N 1 0 397.317 1.786 20 0 GDADRO C[C@@H]1[NH2+]CCN(C(=O)c2n[nH]c3ccc(I)cc32)[C@H]1C ZINC000434703732 531247301 /nfs/dbraw/zinc/24/73/01/531247301.db2.gz VRMGZZUWLRYIHD-IUCAKERBSA-N 1 0 384.221 1.990 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000277088398 531256427 /nfs/dbraw/zinc/25/64/27/531256427.db2.gz BEOCLMQGSNTMMM-GJZGRUSLSA-N 1 0 385.555 1.844 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000277088399 531256852 /nfs/dbraw/zinc/25/68/52/531256852.db2.gz BEOCLMQGSNTMMM-HUUCEWRRSA-N 1 0 385.555 1.844 20 0 GDADRO CN(CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C(=O)c1ccc(Br)s1 ZINC000435246417 531258029 /nfs/dbraw/zinc/25/80/29/531258029.db2.gz QPYBUVJAGOLVFP-LLVKDONJSA-N 1 0 386.315 1.936 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000522775720 531258121 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C[NH+](C)C[C@@](C)(O)CNC(=O)c1cnc2ccc(Br)cc2c1O ZINC000484177966 531416666 /nfs/dbraw/zinc/41/66/66/531416666.db2.gz IPVWVTLQYDOCPT-INIZCTEOSA-N 1 0 382.258 1.333 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cccc(Br)c2)CCSC1 ZINC000267288767 531417355 /nfs/dbraw/zinc/41/73/55/531417355.db2.gz IDYFFPNPYSOCGF-HNNXBMFYSA-N 1 0 386.315 1.941 20 0 GDADRO C[NH+](C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000293248766 531410622 /nfs/dbraw/zinc/41/06/22/531410622.db2.gz CWLSHVTVRTWHDX-UHFFFAOYSA-N 1 0 395.628 1.561 20 0 GDADRO Cc1nn(C)c(CNCc2ccnc(N3CC[NH+](C)CC3)c2)c1Br ZINC000279075207 531411796 /nfs/dbraw/zinc/41/17/96/531411796.db2.gz GMTCGEOPYBOYTH-UHFFFAOYSA-N 1 0 393.333 1.928 20 0 GDADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cnn(-c3ccccc3F)c2)CCSC1 ZINC000267244398 531414248 /nfs/dbraw/zinc/41/42/48/531414248.db2.gz YNIHBCAGUCGKJQ-INIZCTEOSA-N 1 0 384.502 1.727 20 0 GDADRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000483734441 531414409 /nfs/dbraw/zinc/41/44/09/531414409.db2.gz 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COC(=O)c1cc(Br)cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1 ZINC000413798195 531417827 /nfs/dbraw/zinc/41/78/27/531417827.db2.gz KFHSRXHVLAZSOV-HNNXBMFYSA-N 1 0 399.285 1.812 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c(Br)c1 ZINC000447257814 531423977 /nfs/dbraw/zinc/42/39/77/531423977.db2.gz SSCPVTQVHNEICK-KWQFWETISA-N 1 0 377.260 1.203 20 0 GDADRO NC(=O)NC(=O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293487862 531424697 /nfs/dbraw/zinc/42/46/97/531424697.db2.gz GJOYKBHUHKBXBK-UHFFFAOYSA-N 1 0 388.237 1.464 20 0 GDADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000293543665 531427210 /nfs/dbraw/zinc/42/72/10/531427210.db2.gz YAKZRIUCNOZVQR-UHFFFAOYSA-N 1 0 394.273 1.641 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)CC2 ZINC000485561932 531436480 /nfs/dbraw/zinc/43/64/80/531436480.db2.gz NTEQEMBKUXLZJU-UHFFFAOYSA-N 1 0 394.313 1.853 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000293642966 531434434 /nfs/dbraw/zinc/43/44/34/531434434.db2.gz RVDDSMSBUYFEQC-UHFFFAOYSA-N 1 0 375.922 1.596 20 0 GDADRO C[C@H]1C[NH+](CCCCNC(=O)CNS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000267550662 531434532 /nfs/dbraw/zinc/43/45/32/531434532.db2.gz CTSGIPXIEPWQDR-KBPBESRZSA-N 1 0 389.543 1.032 20 0 GDADRO CC(C)[C@H](CNS(=O)(=O)c1cnc2ccsc2c1)N1CC[NH+](C)CC1 ZINC000267648845 531441834 /nfs/dbraw/zinc/44/18/34/531441834.db2.gz UBGMJSWDVPXNSG-INIZCTEOSA-N 1 0 382.555 1.847 20 0 GDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000485965039 531442332 /nfs/dbraw/zinc/44/23/32/531442332.db2.gz DJEXSHPYPDOKIC-SJORKVTESA-N 1 0 394.313 1.739 20 0 GDADRO C[NH+]1CCC(NC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000279515984 531437851 /nfs/dbraw/zinc/43/78/51/531437851.db2.gz AVVCTGONQABFPG-OAHLLOKOSA-N 1 0 395.301 1.726 20 0 GDADRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414306263 531439144 /nfs/dbraw/zinc/43/91/44/531439144.db2.gz ZHCVPNBKZWADTF-JTQLQIEISA-N 1 0 390.303 1.197 20 0 GDADRO 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20 0 GDADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000279692813 531449520 /nfs/dbraw/zinc/44/95/20/531449520.db2.gz QYDFYVLWPQTQCC-CYBMUJFWSA-N 1 0 383.905 1.682 20 0 GDADRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000449602508 531473433 /nfs/dbraw/zinc/47/34/33/531473433.db2.gz OYTRBYHIIIFEDY-VIFPVBQESA-N 1 0 392.237 1.923 20 0 GDADRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000280113916 531473461 /nfs/dbraw/zinc/47/34/61/531473461.db2.gz BGQIZNXHTLBLJD-QGZVFWFLSA-N 1 0 382.302 1.983 20 0 GDADRO O=C(Nc1cc(Br)ccc1N1CCCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415305124 531473457 /nfs/dbraw/zinc/47/34/57/531473457.db2.gz QZDVBEMSSVDNSQ-ZDUSSCGKSA-N 1 0 395.301 1.856 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000540901255 531473882 /nfs/dbraw/zinc/47/38/82/531473882.db2.gz YVGNUPOYTZZKCJ-CABCVRRESA-N 1 0 379.507 1.484 20 0 GDADRO COC(=O)c1sc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c(C(=O)OC)c1C ZINC000415323898 531474806 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CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(OC)c(Br)n3)[C@H]2C1 ZINC000294026445 531458143 /nfs/dbraw/zinc/45/81/43/531458143.db2.gz ZUAZYPFHKGYXBC-QWHCGFSZSA-N 1 0 384.274 1.788 20 0 GDADRO COC(=O)[C@@H]1CN(Cc2ncc(I)s2)CC[N@H+](C)C1 ZINC000414481120 531458639 /nfs/dbraw/zinc/45/86/39/531458639.db2.gz BODCUSVGGDCRPE-VIFPVBQESA-N 1 0 395.266 1.284 20 0 GDADRO OC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@H]1CCCOC1 ZINC000414569746 531459662 /nfs/dbraw/zinc/45/96/62/531459662.db2.gz ZSSJFJPUBCZLGF-WFASDCNBSA-N 1 0 381.274 1.907 20 0 GDADRO NC(=O)c1cn(CCCC[NH2+]Cc2cc3c(cc2Br)OCO3)nn1 ZINC000414589014 531460307 /nfs/dbraw/zinc/46/03/07/531460307.db2.gz OTPAXRJXMAJBFJ-UHFFFAOYSA-N 1 0 396.245 1.438 20 0 GDADRO Cn1cc(Br)cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1=O ZINC000267921275 531461241 /nfs/dbraw/zinc/46/12/41/531461241.db2.gz CQOZVSDWUZGSJE-AWEZNQCLSA-N 1 0 389.319 1.707 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362689607 531462523 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CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1 ZINC000415148056 531466108 /nfs/dbraw/zinc/46/61/08/531466108.db2.gz JJUVRCVIRWLVEI-ZDUSSCGKSA-N 1 0 376.429 1.574 20 0 GDADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000415200666 531468301 /nfs/dbraw/zinc/46/83/01/531468301.db2.gz JHAAKZFAHIQDJP-LLVKDONJSA-N 1 0 382.820 1.830 20 0 GDADRO C[C@H]1C[NH+](CCCCNC(=O)c2csc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000268024216 531468277 /nfs/dbraw/zinc/46/82/77/531468277.db2.gz SGAQWLXCPZSMPX-RYUDHWBXSA-N 1 0 375.516 1.015 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000415265963 531468848 /nfs/dbraw/zinc/46/88/48/531468848.db2.gz KUGVTFDPJVKJSS-SECBINFHSA-N 1 0 378.230 1.281 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2CCC([NH3+])CC2)cc1OC ZINC000415264270 531469239 /nfs/dbraw/zinc/46/92/39/531469239.db2.gz IYFINNZRAKMKSL-UHFFFAOYSA-N 1 0 386.246 1.355 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(F)cc2I)CC1 ZINC000415262311 531469323 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GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(I)cc2C)C1 ZINC000415300254 531472261 /nfs/dbraw/zinc/47/22/61/531472261.db2.gz OGOKKZCHOSBYMN-LLVKDONJSA-N 1 0 387.221 1.358 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415354010 531478464 /nfs/dbraw/zinc/47/84/64/531478464.db2.gz MYGJUVUOAFOAGF-VIFPVBQESA-N 1 0 386.246 1.212 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N[C@@H](C)C[NH3+])c1 ZINC000415358156 531478545 /nfs/dbraw/zinc/47/85/45/531478545.db2.gz IEOQUKBOBPODCN-ZETCQYMHSA-N 1 0 377.182 1.547 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415359645 531479143 /nfs/dbraw/zinc/47/91/43/531479143.db2.gz YTBISWSWGOHIOH-GFCCVEGCSA-N 1 0 399.289 1.651 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000415361644 531479166 /nfs/dbraw/zinc/47/91/66/531479166.db2.gz UMNZKDBJFJOIAM-GHMZBOCLSA-N 1 0 384.274 1.901 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000415361832 531479332 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COC(=O)c1c(C)c(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)ccc1Br ZINC000415366507 531480140 /nfs/dbraw/zinc/48/01/40/531480140.db2.gz WDFXIQOEHONEIG-JTQLQIEISA-N 1 0 398.257 1.290 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NCC[C@H](C)[NH3+])cc(Br)c1F ZINC000415380362 531481577 /nfs/dbraw/zinc/48/15/77/531481577.db2.gz SLNIVYLHSTUFFK-ZETCQYMHSA-N 1 0 390.209 1.167 20 0 GDADRO CCS(=O)(=O)NCCC[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488152516 531481787 /nfs/dbraw/zinc/48/17/87/531481787.db2.gz QOGNACBFJAKTLH-UHFFFAOYSA-N 1 0 379.320 1.573 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415394257 531482302 /nfs/dbraw/zinc/48/23/02/531482302.db2.gz LZSNAELETZATSS-MRVPVSSYSA-N 1 0 376.201 1.734 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)C1 ZINC000415393432 531482492 /nfs/dbraw/zinc/48/24/92/531482492.db2.gz KZLLFGSGVWRRLK-LBPRGKRZSA-N 1 0 397.317 1.517 20 0 GDADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363370560 531482554 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GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415429958 531485304 /nfs/dbraw/zinc/48/53/04/531485304.db2.gz BRVCDIXJMIGPHC-SECBINFHSA-N 1 0 380.246 1.430 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1I ZINC000415429916 531485399 /nfs/dbraw/zinc/48/53/99/531485399.db2.gz QRQGGRQCGIXRIC-JTQLQIEISA-N 1 0 389.237 1.719 20 0 GDADRO C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000363441953 531486037 /nfs/dbraw/zinc/48/60/37/531486037.db2.gz KZQOQTUTEGYSLX-HNNXBMFYSA-N 1 0 385.555 1.701 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415453149 531487948 /nfs/dbraw/zinc/48/79/48/531487948.db2.gz YWOPDEQMIRRLBS-NSHDSACASA-N 1 0 375.878 1.172 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000545153557 531488490 /nfs/dbraw/zinc/48/84/90/531488490.db2.gz NCXSKOGQIVUEJQ-INIZCTEOSA-N 1 0 380.242 1.499 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(F)c2I)C1 ZINC000545153819 531489391 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CC(C)C[C@H](NC(=O)c1c(Br)cnn1C)C(=O)NCC[NH+](C)C ZINC000450279849 531491471 /nfs/dbraw/zinc/49/14/71/531491471.db2.gz YOIDLNQPUNTCAH-LBPRGKRZSA-N 1 0 388.310 1.005 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])cc1I ZINC000415517045 531491960 /nfs/dbraw/zinc/49/19/60/531491960.db2.gz KRWFFMMUPJVNIU-QMMMGPOBSA-N 1 0 375.210 1.249 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(Br)c2cccnc12)C1CC1 ZINC000415539198 531492926 /nfs/dbraw/zinc/49/29/26/531492926.db2.gz UNLFXDXTHUOPQV-GFCCVEGCSA-N 1 0 377.242 1.789 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c1Br ZINC000415544327 531493003 /nfs/dbraw/zinc/49/30/03/531493003.db2.gz ZWHCSRQBWDSAGD-SNVBAGLBSA-N 1 0 384.230 1.028 20 0 GDADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000415354068 531478260 /nfs/dbraw/zinc/47/82/60/531478260.db2.gz NDDQQEUIXBICGN-LLVKDONJSA-N 1 0 384.274 1.982 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[NH2+]1 ZINC000415663511 531510684 /nfs/dbraw/zinc/51/06/84/531510684.db2.gz RQBXAAGLSBWWHP-CBAPKCEASA-N 1 0 376.201 1.923 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415663586 531510892 /nfs/dbraw/zinc/51/08/92/531510892.db2.gz YOJXADLYTWSVMC-SNVBAGLBSA-N 1 0 384.267 2.232 20 0 GDADRO COc1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)c1OC ZINC000489854830 531511975 /nfs/dbraw/zinc/51/19/75/531511975.db2.gz GDUIDXVTHWZURH-CQSZACIVSA-N 1 0 384.318 1.946 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000557642553 531513262 /nfs/dbraw/zinc/51/32/62/531513262.db2.gz RZNBNRIVELKSQM-UHFFFAOYSA-N 1 0 379.507 1.660 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)c1Br ZINC000415682471 531513571 /nfs/dbraw/zinc/51/35/71/531513571.db2.gz BFTIUVSJDPTQHY-INIZCTEOSA-N 1 0 398.257 1.372 20 0 GDADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489904962 531514319 /nfs/dbraw/zinc/51/43/19/531514319.db2.gz DMWIRGYYDGRPEU-QGZVFWFLSA-N 1 0 385.339 1.931 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415696156 531515540 /nfs/dbraw/zinc/51/55/40/531515540.db2.gz UHEWUCAEOZPFSY-CQSZACIVSA-N 1 0 376.201 1.863 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489956808 531515603 /nfs/dbraw/zinc/51/56/03/531515603.db2.gz NVCMMUMGIGRULO-KBPBESRZSA-N 1 0 381.318 1.756 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2)CCC[NH2+]1 ZINC000415703040 531515608 /nfs/dbraw/zinc/51/56/08/531515608.db2.gz FAVRPAWNEZHIAL-HNNXBMFYSA-N 1 0 388.237 1.412 20 0 GDADRO Cc1c(I)cccc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000268457098 531516391 /nfs/dbraw/zinc/51/63/91/531516391.db2.gz YHBVZVMEDAHHNS-UHFFFAOYSA-N 1 0 388.249 1.786 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1Br ZINC000415554365 531494703 /nfs/dbraw/zinc/49/47/03/531494703.db2.gz ALOAMQYAWDIBGZ-UWVGGRQHSA-N 1 0 398.257 1.383 20 0 GDADRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000556380605 531495727 /nfs/dbraw/zinc/49/57/27/531495727.db2.gz IANXXOGDCKZRFJ-VXGBXAGGSA-N 1 0 389.905 1.374 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)[C@@H](C)C[NH2+]1 ZINC000415565242 531495719 /nfs/dbraw/zinc/49/57/19/531495719.db2.gz OSDCDJGRVURTJX-UWVGGRQHSA-N 1 0 381.889 1.949 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000635557132 531496460 /nfs/dbraw/zinc/49/64/60/531496460.db2.gz ZVTUYTLHBZCKJP-ZIAGYGMSSA-N 1 0 382.448 1.544 20 0 GDADRO C[NH+](C)CC1(C(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CC1 ZINC000635557161 531496765 /nfs/dbraw/zinc/49/67/65/531496765.db2.gz NJGBRPCEDRMQAY-UHFFFAOYSA-N 1 0 385.452 1.143 20 0 GDADRO O=S1(=O)CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000581544275 531497145 /nfs/dbraw/zinc/49/71/45/531497145.db2.gz VDBKTBVRKXQMAJ-TZMCWYRMSA-N 1 0 381.416 1.860 20 0 GDADRO COCCOCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280449905 531498517 /nfs/dbraw/zinc/49/85/17/531498517.db2.gz CQUWMABZLLIKOG-SNVBAGLBSA-N 1 0 381.292 1.410 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC000415580836 531498641 /nfs/dbraw/zinc/49/86/41/531498641.db2.gz FTROHQRXUUXDLF-VHRBIJSZSA-N 1 0 396.285 1.982 20 0 GDADRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280449970 531499344 /nfs/dbraw/zinc/49/93/44/531499344.db2.gz CRKPAHQTLPUUKF-KBVBSXBZSA-N 1 0 397.360 1.860 20 0 GDADRO COC(=O)c1cc(NC(=O)N(CC[NH3+])CCO)cc(Br)c1F ZINC000415595658 531499751 /nfs/dbraw/zinc/49/97/51/531499751.db2.gz BDHWZJLUMSZVCC-UHFFFAOYSA-N 1 0 378.198 1.160 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415593768 531499845 /nfs/dbraw/zinc/49/98/45/531499845.db2.gz JZVIWRQMTDHSBM-QGZVFWFLSA-N 1 0 396.285 1.917 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)s2)C[C@@H]1[NH+]1CCCC1 ZINC000547949900 531500997 /nfs/dbraw/zinc/50/09/97/531500997.db2.gz PWCBHOGMIMZXRQ-JQWIXIFHSA-N 1 0 375.541 1.047 20 0 GDADRO CN(CC1([NH+](C)C)CCC1)C(=O)NCCn1cc(Br)ccc1=O ZINC000581591045 531501316 /nfs/dbraw/zinc/50/13/16/531501316.db2.gz AYVKEMYEXKPKCV-UHFFFAOYSA-N 1 0 385.306 1.737 20 0 GDADRO O=C1CO[C@H]2CC[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C[C@@H]2N1 ZINC000556791807 531502342 /nfs/dbraw/zinc/50/23/42/531502342.db2.gz LPMZORSSLVBQNK-XBFCOCLRSA-N 1 0 375.252 1.322 20 0 GDADRO O=C(CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Nc1ccc(Br)cc1 ZINC000363728712 531502880 /nfs/dbraw/zinc/50/28/80/531502880.db2.gz OZCOEXBAZFQHJG-HZPDHXFCSA-N 1 0 382.302 1.919 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415608097 531503313 /nfs/dbraw/zinc/50/33/13/531503313.db2.gz FWUVHYYIIAEOLQ-BXKDBHETSA-N 1 0 392.257 1.445 20 0 GDADRO C[NH2+]C1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000581608511 531503655 /nfs/dbraw/zinc/50/36/55/531503655.db2.gz PZFNPKNEXKLPFL-UHFFFAOYSA-N 1 0 380.297 1.482 20 0 GDADRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1nc2ccc(Br)cc2o1 ZINC000581605873 531503893 /nfs/dbraw/zinc/50/38/93/531503893.db2.gz DUEWIENFGUZYFX-OAHLLOKOSA-N 1 0 379.214 1.764 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000581619428 531504052 /nfs/dbraw/zinc/50/40/52/531504052.db2.gz SULOIJCSMIVYKL-UHFFFAOYSA-N 1 0 396.207 1.891 20 0 GDADRO CCOCCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000415641753 531506251 /nfs/dbraw/zinc/50/62/51/531506251.db2.gz MABJCKLIONPABV-JTQLQIEISA-N 1 0 388.262 1.266 20 0 GDADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415634943 531506273 /nfs/dbraw/zinc/50/62/73/531506273.db2.gz AMSHCVYCWRSSQC-MRVPVSSYSA-N 1 0 386.275 1.751 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1Br ZINC000415633542 531507281 /nfs/dbraw/zinc/50/72/81/531507281.db2.gz YSEGDTCADGGTPR-JOYOIKCWSA-N 1 0 398.257 1.288 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Br ZINC000363774128 531508184 /nfs/dbraw/zinc/50/81/84/531508184.db2.gz AMNPMNUMDGJRMN-UONOGXRCSA-N 1 0 384.274 1.529 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415652701 531508244 /nfs/dbraw/zinc/50/82/44/531508244.db2.gz DXQGDFHEPAATPA-SECBINFHSA-N 1 0 375.210 1.344 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415655237 531508692 /nfs/dbraw/zinc/50/86/92/531508692.db2.gz HKZFZJUTVOZTJV-LLVKDONJSA-N 1 0 394.273 1.688 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000415658080 531509259 /nfs/dbraw/zinc/50/92/59/531509259.db2.gz UZVUBUIMIGEOJM-ZJUUUORDSA-N 1 0 398.257 1.560 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000363938262 531520647 /nfs/dbraw/zinc/52/06/47/531520647.db2.gz NTSVNSSUPYJXTL-STQMWFEESA-N 1 0 385.917 1.947 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415736417 531521716 /nfs/dbraw/zinc/52/17/16/531521716.db2.gz BGHWHQVRIGKEDB-MNOVXSKESA-N 1 0 382.258 1.464 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1Br ZINC000415736637 531522299 /nfs/dbraw/zinc/52/22/99/531522299.db2.gz AZIAMGJVJDIYHM-GXTWGEPZSA-N 1 0 396.285 1.901 20 0 GDADRO O=C(CNS(=O)(=O)c1cc(F)cc(F)c1)NCC[NH+]1CCCCCC1 ZINC000581921220 531523360 /nfs/dbraw/zinc/52/33/60/531523360.db2.gz QNVTVFSSXZWQKK-UHFFFAOYSA-N 1 0 375.441 1.235 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000295107158 531523400 /nfs/dbraw/zinc/52/34/00/531523400.db2.gz UMVWKALNJJNLDE-DZGCQCFKSA-N 1 0 389.949 1.994 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000363984004 531524278 /nfs/dbraw/zinc/52/42/78/531524278.db2.gz PQNMQIKDJPNAQD-AWEZNQCLSA-N 1 0 378.491 1.305 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Br ZINC000415756577 531524986 /nfs/dbraw/zinc/52/49/86/531524986.db2.gz LORVYBFBFXZQMY-TXEJJXNPSA-N 1 0 396.285 1.854 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cccc(I)c1 ZINC000295128536 531525457 /nfs/dbraw/zinc/52/54/57/531525457.db2.gz XPWCOYBCWVVANQ-LBPRGKRZSA-N 1 0 382.267 1.709 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1Br ZINC000415760217 531525754 /nfs/dbraw/zinc/52/57/54/531525754.db2.gz FONFBWJASSQHFT-UHFFFAOYSA-N 1 0 396.285 1.998 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415779950 531528038 /nfs/dbraw/zinc/52/80/38/531528038.db2.gz LLRYZSFRVLXEEY-AAEUAGOBSA-N 1 0 396.285 1.915 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(I)c1 ZINC000415777215 531528086 /nfs/dbraw/zinc/52/80/86/531528086.db2.gz CKQFYNMMZBCWAS-SFYZADRCSA-N 1 0 393.200 1.529 20 0 GDADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000635974431 531528667 /nfs/dbraw/zinc/52/86/67/531528667.db2.gz AYHSWUOKMUMVIV-BFHYXJOUSA-N 1 0 384.464 1.836 20 0 GDADRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000582012380 531529475 /nfs/dbraw/zinc/52/94/75/531529475.db2.gz GEDFCLBLJKUXMV-TUKIKUTGSA-N 1 0 382.302 1.735 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000415792727 531531525 /nfs/dbraw/zinc/53/15/25/531531525.db2.gz UHRPOUPGHRRRLI-ZETCQYMHSA-N 1 0 390.209 1.167 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000582064169 531532330 /nfs/dbraw/zinc/53/23/30/531532330.db2.gz XEIBKCZANYZNAO-GHMZBOCLSA-N 1 0 394.324 1.905 20 0 GDADRO COCCOc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cn1 ZINC000581871878 531520013 /nfs/dbraw/zinc/52/00/13/531520013.db2.gz TYVONPZKVQCIJN-UHFFFAOYSA-N 1 0 385.873 1.697 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415723757 531520322 /nfs/dbraw/zinc/52/03/22/531520322.db2.gz JQQNWHKRFVANGQ-ZDUSSCGKSA-N 1 0 395.301 1.202 20 0 GDADRO CCS(=O)(=O)NCCCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415978699 531553257 /nfs/dbraw/zinc/55/32/57/531553257.db2.gz YMOQLLFGUVRMIL-UHFFFAOYSA-N 1 0 382.408 1.615 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1cccc(Cl)c1Br ZINC000415828243 531538344 /nfs/dbraw/zinc/53/83/44/531538344.db2.gz FEUUFOVHNKZQQM-VIFPVBQESA-N 1 0 390.665 1.536 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1cccc(Br)c1Cl ZINC000415832460 531539531 /nfs/dbraw/zinc/53/95/31/531539531.db2.gz LIAAZSNNUGZQKO-VIFPVBQESA-N 1 0 390.665 1.536 20 0 GDADRO Cn1cc(Br)c(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)n1 ZINC000551545754 531539840 /nfs/dbraw/zinc/53/98/40/531539840.db2.gz ATGQOSGJUZETJI-GFCCVEGCSA-N 1 0 397.273 1.736 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1Br ZINC000659089294 531539877 /nfs/dbraw/zinc/53/98/77/531539877.db2.gz FGBMUYASXDPSMB-UHFFFAOYSA-N 1 0 388.262 1.601 20 0 GDADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc2c(cc1Cl)OCCO2)C(F)(F)F ZINC000415837745 531540270 /nfs/dbraw/zinc/54/02/70/531540270.db2.gz NPIFXHPIXBDQAY-NSHDSACASA-N 1 0 381.738 1.446 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415840128 531540430 /nfs/dbraw/zinc/54/04/30/531540430.db2.gz TXSAVFFBUNEYLF-QMMMGPOBSA-N 1 0 392.200 1.161 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000659112564 531541330 /nfs/dbraw/zinc/54/13/30/531541330.db2.gz KFRGPEXHVINDNG-JTQLQIEISA-N 1 0 380.246 1.297 20 0 GDADRO COCCN1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000551587384 531541684 /nfs/dbraw/zinc/54/16/84/531541684.db2.gz AWDBPYNJRFJMGD-CQSZACIVSA-N 1 0 380.432 1.919 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c(F)cc1Br ZINC000415844865 531542177 /nfs/dbraw/zinc/54/21/77/531542177.db2.gz ZSESLGNZQANJFJ-JTQLQIEISA-N 1 0 388.237 1.330 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415845775 531542423 /nfs/dbraw/zinc/54/24/23/531542423.db2.gz BBCNKHUEFKBPCD-JTQLQIEISA-N 1 0 389.681 1.061 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+](C2CC2)C1 ZINC000295223451 531544102 /nfs/dbraw/zinc/54/41/02/531544102.db2.gz AVCJTMBJKZBHSB-ZDUSSCGKSA-N 1 0 385.917 1.561 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415869217 531546879 /nfs/dbraw/zinc/54/68/79/531546879.db2.gz ZRMMRGZPHJXRNO-ZDUSSCGKSA-N 1 0 384.274 1.581 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCC[C@@H]([NH3+])C(C)C)c(C)s1 ZINC000659470727 531547314 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COc1ccc(CC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1S(N)(=O)=O ZINC000558273351 531554195 /nfs/dbraw/zinc/55/41/95/531554195.db2.gz ORNLPMCGJYRJCB-FZMZJTMJSA-N 1 0 382.404 1.585 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])cc(Br)c1C ZINC000582845199 531554714 /nfs/dbraw/zinc/55/47/14/531554714.db2.gz KUZXBHKZILSENS-UWVGGRQHSA-N 1 0 393.303 1.948 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCOCCO ZINC000295383349 531568896 /nfs/dbraw/zinc/56/88/96/531568896.db2.gz KRRXBXVMGUKSMU-GFCCVEGCSA-N 1 0 389.290 1.451 20 0 GDADRO COc1ccc(Br)cc1C1(C(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000416205596 531569591 /nfs/dbraw/zinc/56/95/91/531569591.db2.gz SZJABPPDKOLPAO-MRXNPFEDSA-N 1 0 383.286 1.672 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000281024841 531568666 /nfs/dbraw/zinc/56/86/66/531568666.db2.gz XXJFHFFSPJTCED-CHWSQXEVSA-N 1 0 384.322 1.840 20 0 GDADRO CC(=O)N1Cc2ccc(S(=O)(=O)NC[C@]3([NH+](C)C)CCSC3)cc2C1 ZINC000659923390 531571505 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C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000281189865 531590988 /nfs/dbraw/zinc/59/09/88/531590988.db2.gz RDKGOLVPEOTGME-CQSZACIVSA-N 1 0 386.539 1.844 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494256028 531592446 /nfs/dbraw/zinc/59/24/46/531592446.db2.gz FYGWSNGFDAEUDQ-ZBFHGGJFSA-N 1 0 375.441 1.156 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1csc(I)c1 ZINC000583777907 531593065 /nfs/dbraw/zinc/59/30/65/531593065.db2.gz UJNPCECHHPREOS-UHFFFAOYSA-N 1 0 395.310 1.966 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)cc1Cl ZINC000416389249 531594314 /nfs/dbraw/zinc/59/43/14/531594314.db2.gz MNQXPNYNBHNEJM-UHFFFAOYSA-N 1 0 392.905 1.746 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000637002918 531594502 /nfs/dbraw/zinc/59/45/02/531594502.db2.gz WLOWDGCZLJHUQK-IUODEOHRSA-N 1 0 395.301 1.774 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1cc2cc(Br)ccc2[nH]1 ZINC000637054169 531597368 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GDADRO C[C@H]1CN(C(=O)NCCCNC(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000417435345 531770746 /nfs/dbraw/zinc/77/07/46/531770746.db2.gz NEBQJKKKWAXFKT-LBPRGKRZSA-N 1 0 383.290 1.572 20 0 GDADRO CN(C(=O)NCCNC(=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000417439306 531770958 /nfs/dbraw/zinc/77/09/58/531770958.db2.gz SEGVTVIIUBGRKG-UHFFFAOYSA-N 1 0 383.290 1.572 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000269818190 531771240 /nfs/dbraw/zinc/77/12/40/531771240.db2.gz WSHYBGSYTVHDPO-SNVBAGLBSA-N 1 0 382.939 1.319 20 0 GDADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc(CC[C@H](O)C[NH3+])nn1 ZINC000640881209 531771276 /nfs/dbraw/zinc/77/12/76/531771276.db2.gz BPHVIQYHSFIGGH-ZDUSSCGKSA-N 1 0 386.283 1.496 20 0 GDADRO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)CC[N@@H+](C2CC2)C1 ZINC000452171293 531771583 /nfs/dbraw/zinc/77/15/83/531771583.db2.gz PVVSUFMNSCQBFV-NSHDSACASA-N 1 0 384.274 1.715 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@H]1Cc2cc(Br)ccc2O1 ZINC000452368676 531775936 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C[C@H]([NH2+]CCC1(CO)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453332685 531813204 /nfs/dbraw/zinc/81/32/04/531813204.db2.gz GAOPGAQMZQTLSX-JTQLQIEISA-N 1 0 377.304 1.910 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1Br ZINC000453272191 531813228 /nfs/dbraw/zinc/81/32/28/531813228.db2.gz HSORSKVFPCQINP-QMTHXVAHSA-N 1 0 378.288 1.658 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000269962741 531814504 /nfs/dbraw/zinc/81/45/04/531814504.db2.gz YGBQMHUTDFHIHO-DLBZAZTESA-N 1 0 383.901 1.698 20 0 GDADRO COc1cc(CS(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)sn1 ZINC000641390211 531815603 /nfs/dbraw/zinc/81/56/03/531815603.db2.gz JSWBFMBITCXWEA-FPMFFAJLSA-N 1 0 375.516 1.165 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000563168961 531816077 /nfs/dbraw/zinc/81/60/77/531816077.db2.gz CNEMPURTJYZFNQ-GHMZBOCLSA-N 1 0 392.319 1.312 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)c(C)s1 ZINC000418391143 531822739 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1.870 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000418395448 531824998 /nfs/dbraw/zinc/82/49/98/531824998.db2.gz STEWBKGUWQMAGR-CYBMUJFWSA-N 1 0 388.921 1.211 20 0 GDADRO O[C@H]1CCN(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000623837554 531826205 /nfs/dbraw/zinc/82/62/05/531826205.db2.gz KEBYUXCZFPPZDT-INIZCTEOSA-N 1 0 384.318 1.442 20 0 GDADRO O=C(CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc(Br)c1 ZINC000418435358 531826867 /nfs/dbraw/zinc/82/68/67/531826867.db2.gz WGFDCFMGYPJEHM-PBWFPOADSA-N 1 0 381.274 1.970 20 0 GDADRO COc1ccc(S(=O)(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1Cl ZINC000270065263 531827161 /nfs/dbraw/zinc/82/71/61/531827161.db2.gz VUUGORUVIYUWQT-UHFFFAOYSA-N 1 0 385.873 1.873 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000283082689 531827765 /nfs/dbraw/zinc/82/77/65/531827765.db2.gz HQALKXPHLMPFJF-DOMZBBRYSA-N 1 0 390.253 1.634 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418493635 531828434 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Cc1ccc(CN(C[C@H]2CCCO2)c2nc(N)[nH+]c(N)n2)c(Br)c1 ZINC000624180905 531832951 /nfs/dbraw/zinc/83/29/51/531832951.db2.gz PGOXLBFFVCRDBR-GFCCVEGCSA-N 1 0 393.289 1.953 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000418618889 531833275 /nfs/dbraw/zinc/83/32/75/531833275.db2.gz OAMIGSPMYDQNCO-JTQLQIEISA-N 1 0 384.278 1.551 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000624167218 531833287 /nfs/dbraw/zinc/83/32/87/531833287.db2.gz UBVHYLBHSJZQJE-AWEZNQCLSA-N 1 0 389.880 1.598 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418701873 531834129 /nfs/dbraw/zinc/83/41/29/531834129.db2.gz PLQPFHUHJKDXFV-NHCYSSNCSA-N 1 0 376.270 1.774 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)N(CCNC(C)=O)Cc1ccc(Br)s1 ZINC000418725403 531835685 /nfs/dbraw/zinc/83/56/85/531835685.db2.gz KYUGQFQVDGAORH-NSHDSACASA-N 1 0 391.335 1.896 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000418766521 531836889 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1.802 20 0 GDADRO CC[N@H+](C)C[C@@H](O)CN(C)[C@H](CO)c1cc(OC)ccc1Br ZINC000563360300 531830720 /nfs/dbraw/zinc/83/07/20/531830720.db2.gz GFRNNHOVPYNMCP-MLGOLLRUSA-N 1 0 375.307 1.736 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000563364538 531830895 /nfs/dbraw/zinc/83/08/95/531830895.db2.gz PADDZVWICCYIHV-IUODEOHRSA-N 1 0 379.270 1.150 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418596679 531831183 /nfs/dbraw/zinc/83/11/83/531831183.db2.gz OZXLKLNTIQMPOQ-INWMFGNUSA-N 1 0 384.318 1.897 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H](O)COc1ccccc1Br ZINC000418563042 531831762 /nfs/dbraw/zinc/83/17/62/531831762.db2.gz UWPNORWZKAYKNO-DYEKYZERSA-N 1 0 386.290 1.486 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@H](C(F)(F)F)C1 ZINC000418610748 531831825 /nfs/dbraw/zinc/83/18/25/531831825.db2.gz GZMOFVPGWLLEBB-WDEREUQCSA-N 1 0 376.345 1.806 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000418574930 531831875 /nfs/dbraw/zinc/83/18/75/531831875.db2.gz MQQGFZQCGJEOQM-XPKDYRNWSA-N 1 0 384.318 1.897 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000418593802 531831936 /nfs/dbraw/zinc/83/19/36/531831936.db2.gz SGIYPFNNGDZWPX-LLVKDONJSA-N 1 0 394.950 1.415 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000297891611 531832472 /nfs/dbraw/zinc/83/24/72/531832472.db2.gz OPEAKTLDRPXCPQ-LBPRGKRZSA-N 1 0 382.258 1.473 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000298078785 531848683 /nfs/dbraw/zinc/84/86/83/531848683.db2.gz SRFZCLGOPGEGPZ-NEPJUHHUSA-N 1 0 384.274 1.696 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418839647 531850502 /nfs/dbraw/zinc/85/05/02/531850502.db2.gz DARMOXRIXKMWBB-DOMZBBRYSA-N 1 0 384.318 1.986 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418838331 531850711 /nfs/dbraw/zinc/85/07/11/531850711.db2.gz UZKXFLZTKDQGTD-QLFBSQMISA-N 1 0 382.302 1.911 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418842111 531851420 /nfs/dbraw/zinc/85/14/20/531851420.db2.gz ZSPAETYWGQNJKQ-RUAUBTSSSA-N 1 0 394.313 1.926 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000298099103 531851980 /nfs/dbraw/zinc/85/19/80/531851980.db2.gz OMEDNIBQTUZOBD-UONOGXRCSA-N 1 0 387.889 1.394 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418844825 531852223 /nfs/dbraw/zinc/85/22/23/531852223.db2.gz NFNVUOMXGNDXEK-LLVKDONJSA-N 1 0 395.301 1.561 20 0 GDADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418840395 531852294 /nfs/dbraw/zinc/85/22/94/531852294.db2.gz FGBFFWMOKUFVBL-ZDUSSCGKSA-N 1 0 393.285 1.539 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1F ZINC000367682335 531855511 /nfs/dbraw/zinc/85/55/11/531855511.db2.gz MNWDQKXFDXPPPS-HNNXBMFYSA-N 1 0 390.502 1.382 20 0 GDADRO CC(C)([NH3+])CCNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000641807417 531853313 /nfs/dbraw/zinc/85/33/13/531853313.db2.gz ZRQWSQKIGWJMDS-OAHLLOKOSA-N 1 0 387.933 1.991 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1nc(C2CC2)ncc1Br ZINC000454275530 531853481 /nfs/dbraw/zinc/85/34/81/531853481.db2.gz NUCXYJRDLKKPIM-LBPRGKRZSA-N 1 0 383.290 1.693 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000563568777 531853782 /nfs/dbraw/zinc/85/37/82/531853782.db2.gz UNOPDAZNUOIAOV-UONOGXRCSA-N 1 0 396.333 1.231 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000563571089 531853904 /nfs/dbraw/zinc/85/39/04/531853904.db2.gz MKOGRFUTKZLQMH-HIFRSBDPSA-N 1 0 379.592 1.236 20 0 GDADRO [NH3+]C/C=C/CNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000641865350 531854276 /nfs/dbraw/zinc/85/42/76/531854276.db2.gz UJGNOMBIOTYRRA-OWOJBTEDSA-N 1 0 390.868 1.010 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000418785901 531840569 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[NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(Br)cc3)C[C@H]21 ZINC000418932930 531865995 /nfs/dbraw/zinc/86/59/95/531865995.db2.gz IDIXOYJWEITJFH-NWANDNLSSA-N 1 0 380.286 1.651 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000642979569 531867067 /nfs/dbraw/zinc/86/70/67/531867067.db2.gz BJCRDFSOSMTXFG-NSHDSACASA-N 1 0 398.276 1.731 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000418942257 531868932 /nfs/dbraw/zinc/86/89/32/531868932.db2.gz XAHLCRRLZRZMOG-GHMZBOCLSA-N 1 0 388.331 1.757 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642279150 531856094 /nfs/dbraw/zinc/85/60/94/531856094.db2.gz OJXWNEURNXWXLM-UKRRQHHQSA-N 1 0 380.286 1.318 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418853153 531856281 /nfs/dbraw/zinc/85/62/81/531856281.db2.gz WYHGUXGLLDOPCH-UHFFFAOYSA-N 1 0 384.249 1.283 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccc(Br)cn1 ZINC000418865557 531857022 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GDADRO O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)C(=O)N1CC[NH2+]CC1 ZINC000418919789 531863512 /nfs/dbraw/zinc/86/35/12/531863512.db2.gz ATQGDEDQLDLSBB-HNNXBMFYSA-N 1 0 380.286 1.838 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2cncc(I)c2)CCSC1 ZINC000270385648 531864013 /nfs/dbraw/zinc/86/40/13/531864013.db2.gz HBVHQBIAUUYVAP-CYBMUJFWSA-N 1 0 391.278 1.853 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418925567 531864354 /nfs/dbraw/zinc/86/43/54/531864354.db2.gz RTMJDZGTUPGGOX-JQWIXIFHSA-N 1 0 386.265 1.443 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418929453 531864446 /nfs/dbraw/zinc/86/44/46/531864446.db2.gz ADKCVLRPJJBPJR-FZMZJTMJSA-N 1 0 384.274 1.058 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000367798395 531865029 /nfs/dbraw/zinc/86/50/29/531865029.db2.gz QOLQAMSAJHUUHZ-BXKDBHETSA-N 1 0 393.278 1.969 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000367798400 531865509 /nfs/dbraw/zinc/86/55/09/531865509.db2.gz QOLQAMSAJHUUHZ-JOYOIKCWSA-N 1 0 393.278 1.969 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)C[NH2+]C)sc2c1CCCS2 ZINC000595245079 531871635 /nfs/dbraw/zinc/87/16/35/531871635.db2.gz PGLSVPHSAYIITI-SECBINFHSA-N 1 0 385.511 1.626 20 0 GDADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418955124 531871772 /nfs/dbraw/zinc/87/17/72/531871772.db2.gz UJZFAIJHQZKBRP-RISCZKNCSA-N 1 0 384.274 1.188 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(I)c1 ZINC000595243079 531871792 /nfs/dbraw/zinc/87/17/92/531871792.db2.gz AJMOETMYPDNXEM-SECBINFHSA-N 1 0 375.210 1.262 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NC[C@@H]([NH3+])C(C)C ZINC000564957924 531871785 /nfs/dbraw/zinc/87/17/85/531871785.db2.gz CQIVGLOPYYOLKD-GFCCVEGCSA-N 1 0 377.894 1.312 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)NCCOc1cccc(Br)c1 ZINC000418952179 531871910 /nfs/dbraw/zinc/87/19/10/531871910.db2.gz QNTNPKRQENUGJM-UHFFFAOYSA-N 1 0 384.274 1.202 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418953000 531872105 /nfs/dbraw/zinc/87/21/05/531872105.db2.gz ZFPOTUOQJJTPBA-VCTAVGKDSA-N 1 0 380.286 1.667 20 0 GDADRO O=C(NC[C@@H]1CSCCS1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283534147 531872166 /nfs/dbraw/zinc/87/21/66/531872166.db2.gz RJMSVLUKEVBRDD-HZPDHXFCSA-N 1 0 379.551 1.342 20 0 GDADRO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000367888586 531873616 /nfs/dbraw/zinc/87/36/16/531873616.db2.gz WGGJKVMRWHSYQM-GFCCVEGCSA-N 1 0 378.325 1.803 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000595334395 531874516 /nfs/dbraw/zinc/87/45/16/531874516.db2.gz YWEJSTBRIQNNKP-JTQLQIEISA-N 1 0 391.287 1.466 20 0 GDADRO CS[C@H]1CN(C(=O)CCC(=O)N2CCc3sccc3C2)C[C@H]1[NH+](C)C ZINC000270465153 531874813 /nfs/dbraw/zinc/87/48/13/531874813.db2.gz LAWXBCUIEUOUQE-ZBFHGGJFSA-N 1 0 381.567 1.917 20 0 GDADRO CS[C@@H]1CN(C(=O)CCC(=O)N2CCc3sccc3C2)C[C@@H]1[NH+](C)C ZINC000270465141 531875208 /nfs/dbraw/zinc/87/52/08/531875208.db2.gz LAWXBCUIEUOUQE-GOEBONIOSA-N 1 0 381.567 1.917 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)Oc1cccc(Br)c1 ZINC000673247823 531875544 /nfs/dbraw/zinc/87/55/44/531875544.db2.gz XTZSJIAFWRCONB-GXTWGEPZSA-N 1 0 398.301 1.543 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N(C)C2CC[NH2+]CC2)cc1Br ZINC000419005687 531878982 /nfs/dbraw/zinc/87/89/82/531878982.db2.gz GYZLUWFRSQTTDU-LLVKDONJSA-N 1 0 398.301 1.845 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NCCC[NH2+]C2CC2)cc1Br ZINC000419003775 531879055 /nfs/dbraw/zinc/87/90/55/531879055.db2.gz DGNFUNNVQCAJIS-LLVKDONJSA-N 1 0 398.301 1.893 20 0 GDADRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1Br ZINC000625113924 531880108 /nfs/dbraw/zinc/88/01/08/531880108.db2.gz RVLKNSMUFFXANR-CYBMUJFWSA-N 1 0 398.301 1.775 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000419010474 531880148 /nfs/dbraw/zinc/88/01/48/531880148.db2.gz PSWLUZSUAKYFPS-PWSUYJOCSA-N 1 0 384.274 1.455 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000419012261 531880344 /nfs/dbraw/zinc/88/03/44/531880344.db2.gz VOMPPUZPYZYRIU-GMXVVIOVSA-N 1 0 398.301 1.892 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419017298 531881562 /nfs/dbraw/zinc/88/15/62/531881562.db2.gz GAOWGMPHGLPNHO-AAEUAGOBSA-N 1 0 382.258 1.257 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419029589 531882769 /nfs/dbraw/zinc/88/27/69/531882769.db2.gz YNWWQYPQNKHHNS-DGCLKSJQSA-N 1 0 382.258 1.339 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000419025078 531882884 /nfs/dbraw/zinc/88/28/84/531882884.db2.gz RUHYHEPTLKFKPE-WDMOLILDSA-N 1 0 396.285 1.585 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419028649 531883518 /nfs/dbraw/zinc/88/35/18/531883518.db2.gz XEFXAZAESODNDW-MPKXVKKWSA-N 1 0 396.285 1.633 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000298385011 531883788 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GDADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000566728373 531893129 /nfs/dbraw/zinc/89/31/29/531893129.db2.gz NDEWDCMNMREQQH-RYUDHWBXSA-N 1 0 387.311 1.142 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cn1 ZINC000283783607 531894920 /nfs/dbraw/zinc/89/49/20/531894920.db2.gz VCXGMYCLTZTCSZ-BNOWGMLFSA-N 1 0 395.301 1.716 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000270570226 531895286 /nfs/dbraw/zinc/89/52/86/531895286.db2.gz GUCJODIPPUPRJD-STQMWFEESA-N 1 0 375.853 1.483 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567381271 531895517 /nfs/dbraw/zinc/89/55/17/531895517.db2.gz PPIULIIPZXGPOZ-ZDUSSCGKSA-N 1 0 396.264 1.904 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419059403 531896298 /nfs/dbraw/zinc/89/62/98/531896298.db2.gz XWEVIARMDNNPRE-ZDUSSCGKSA-N 1 0 394.313 1.922 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368145127 531896587 /nfs/dbraw/zinc/89/65/87/531896587.db2.gz YPDRPOQAVBYTHC-CQSZACIVSA-N 1 0 380.286 1.827 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000283800696 531897024 /nfs/dbraw/zinc/89/70/24/531897024.db2.gz AOAYFWJKTHLYNN-HZPDHXFCSA-N 1 0 394.313 1.851 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419077389 531897949 /nfs/dbraw/zinc/89/79/49/531897949.db2.gz JCXJPHBOEJEJRG-AWEZNQCLSA-N 1 0 382.302 1.696 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000567581510 531898292 /nfs/dbraw/zinc/89/82/92/531898292.db2.gz FWXUPAAUSGXWIY-GDBMZVCRSA-N 1 0 386.334 1.414 20 0 GDADRO O=C(NCCSCc1ccc(Cl)cc1Cl)C(=O)NCC1C[NH2+]C1 ZINC000419093758 531898785 /nfs/dbraw/zinc/89/87/85/531898785.db2.gz IUDAZZIPIBEYRU-UHFFFAOYSA-N 1 0 376.309 1.678 20 0 GDADRO Cn1c2c(nc(Br)n2CC[C@@H]2CCCC[N@@H+]2C)c(=O)n(C)c1=O ZINC000283810776 531898879 /nfs/dbraw/zinc/89/88/79/531898879.db2.gz IVFJRZZGNOABQE-JTQLQIEISA-N 1 0 384.278 1.071 20 0 GDADRO C[NH2+]CCCN(C)C(=O)c1sc2c(c1I)CNC2 ZINC000595964208 531898986 /nfs/dbraw/zinc/89/89/86/531898986.db2.gz PJPLTWVVJCMMTN-UHFFFAOYSA-N 1 0 379.267 1.637 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595962018 531899085 /nfs/dbraw/zinc/89/90/85/531899085.db2.gz OGJWIIWLLPCJJU-CVEARBPZSA-N 1 0 391.603 1.286 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000419093564 531899090 /nfs/dbraw/zinc/89/90/90/531899090.db2.gz YIHDBMQUGAUACU-LLVKDONJSA-N 1 0 388.295 1.621 20 0 GDADRO C[C@@H](CNC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[NH+](C)C ZINC000455891198 531886141 /nfs/dbraw/zinc/88/61/41/531886141.db2.gz GIURLFAIVLRQJU-LBPRGKRZSA-N 1 0 399.337 1.668 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000419040069 531887299 /nfs/dbraw/zinc/88/72/99/531887299.db2.gz LRNVTMCAHNEANG-LLVKDONJSA-N 1 0 380.901 1.928 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(I)cn1 ZINC000566458443 531887363 /nfs/dbraw/zinc/88/73/63/531887363.db2.gz TWUGODTWXJEAIG-GFCCVEGCSA-N 1 0 391.253 1.509 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C)c(F)c2F)CC1 ZINC000625245676 531887925 /nfs/dbraw/zinc/88/79/25/531887925.db2.gz KNJGUSULONLXAI-UHFFFAOYSA-N 1 0 375.485 1.968 20 0 GDADRO COc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)nc1I ZINC000270533934 531888284 /nfs/dbraw/zinc/88/82/84/531888284.db2.gz VXJLFIRJBYIITO-JTQLQIEISA-N 1 0 389.237 1.861 20 0 GDADRO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647870818 531899442 /nfs/dbraw/zinc/89/94/42/531899442.db2.gz AVBCJMZGRGYAIY-LBPRGKRZSA-N 1 0 378.325 1.909 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2cc(C)ccc2Cl)CC1 ZINC000566502282 531889604 /nfs/dbraw/zinc/88/96/04/531889604.db2.gz SBNAUVGNHMMAKJ-UHFFFAOYSA-N 1 0 387.933 1.917 20 0 GDADRO CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)[C@@H](C[NH3+])C1 ZINC000566682295 531890704 /nfs/dbraw/zinc/89/07/04/531890704.db2.gz PPSKLAUGXSFECI-HNNXBMFYSA-N 1 0 387.933 1.782 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419153603 531905343 /nfs/dbraw/zinc/90/53/43/531905343.db2.gz OXZCRUXYBSFILI-BXUZGUMPSA-N 1 0 398.301 1.312 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419161056 531905586 /nfs/dbraw/zinc/90/55/86/531905586.db2.gz COWSXBMTMYBEPK-CYBMUJFWSA-N 1 0 382.302 1.880 20 0 GDADRO O=C(NCc1cc(F)ccc1Br)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419158406 531905747 /nfs/dbraw/zinc/90/57/47/531905747.db2.gz MYTQYPVAEVGXHB-JQWIXIFHSA-N 1 0 384.249 1.272 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419156980 531906217 /nfs/dbraw/zinc/90/62/17/531906217.db2.gz KLHFUZKDGHHVRM-UHFFFAOYSA-N 1 0 396.207 1.810 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1Br ZINC000419162993 531906835 /nfs/dbraw/zinc/90/68/35/531906835.db2.gz IKPLKDBKYZMCPS-IHRRRGAJSA-N 1 0 380.286 1.569 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000298647339 531906935 /nfs/dbraw/zinc/90/69/35/531906935.db2.gz OBDQBYFMFWZHFJ-UHFFFAOYSA-N 1 0 387.322 1.546 20 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/nfs/dbraw/zinc/90/98/77/531909877.db2.gz KNKKTMOAHNFZIN-AXFHLTTASA-N 1 0 394.269 1.629 20 0 GDADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCC(=O)N1 ZINC000456378546 531910240 /nfs/dbraw/zinc/91/02/40/531910240.db2.gz VINDNPSDMHBHDY-DGCLKSJQSA-N 1 0 395.301 1.807 20 0 GDADRO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NCCC[NH2+]C1CC1 ZINC000568514399 531910347 /nfs/dbraw/zinc/91/03/47/531910347.db2.gz GBBCSSJCRHMIRX-UHFFFAOYSA-N 1 0 379.404 1.242 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419184209 531910729 /nfs/dbraw/zinc/91/07/29/531910729.db2.gz JNHFQZMEOZSDTN-AWEZNQCLSA-N 1 0 397.317 1.260 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)s2)C1 ZINC000283946286 531911555 /nfs/dbraw/zinc/91/15/55/531911555.db2.gz NATOQARJRZAGHO-LLVKDONJSA-N 1 0 388.331 1.722 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419204824 531912805 /nfs/dbraw/zinc/91/28/05/531912805.db2.gz JMHZAPLKBUXBOU-ZWNOBZJWSA-N 1 0 384.274 1.318 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000675817282 531912868 /nfs/dbraw/zinc/91/28/68/531912868.db2.gz NGFVQBSPQFGCQC-MRXNPFEDSA-N 1 0 387.933 1.721 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000270715526 531914303 /nfs/dbraw/zinc/91/43/03/531914303.db2.gz CKQVFYCFRNNKSK-SDBXPKJASA-N 1 0 375.853 1.339 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCCc2ccccc2Br)CC1 ZINC000419204048 531913343 /nfs/dbraw/zinc/91/33/43/531913343.db2.gz IMLVMRXJJIMHOB-UHFFFAOYSA-N 1 0 396.329 1.956 20 0 GDADRO O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647870849 531899799 /nfs/dbraw/zinc/89/97/99/531899799.db2.gz FRWKUXTZTBIDIU-LBPRGKRZSA-N 1 0 378.325 1.909 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCc2ccc(Br)s2)CC1 ZINC000419117794 531900531 /nfs/dbraw/zinc/90/05/31/531900531.db2.gz QEPYINHTOHKNNI-SNVBAGLBSA-N 1 0 388.331 1.755 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000567980842 531904083 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[NH3+]CC[C@H](NC(=O)NCC1(OCCO)CCC(F)(F)CC1)C(F)(F)F ZINC000625898252 531918951 /nfs/dbraw/zinc/91/89/51/531918951.db2.gz KPOZBRUGWLNLID-JTQLQIEISA-N 1 0 377.354 1.522 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000419258005 531919932 /nfs/dbraw/zinc/91/99/32/531919932.db2.gz JGKWBVJDXGROTH-DGCLKSJQSA-N 1 0 384.274 1.201 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCc1ccsc1Br)C[NH+]1CCCC1 ZINC000284020509 531920694 /nfs/dbraw/zinc/92/06/94/531920694.db2.gz VUMOKLDMBRYHIQ-LLVKDONJSA-N 1 0 388.331 1.975 20 0 GDADRO O=C(NCc1ccc(O)c(Br)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000368556108 531921260 /nfs/dbraw/zinc/92/12/60/531921260.db2.gz LMFSOPSLFWYXNE-GDBMZVCRSA-N 1 0 398.301 1.895 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419303295 531922479 /nfs/dbraw/zinc/92/24/79/531922479.db2.gz RNTJHKGUBKIIEA-SWLSCSKDSA-N 1 0 382.302 1.796 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)NCc1cc(Cl)ccc1Br ZINC000569485831 531924678 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[NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCCO1 ZINC000419216677 531915339 /nfs/dbraw/zinc/91/53/39/531915339.db2.gz OGKDCPLZCXNBIC-OCCSQVGLSA-N 1 0 383.901 1.569 20 0 GDADRO O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)Nc1nnc(-c2ccsc2)s1 ZINC000625851365 531915623 /nfs/dbraw/zinc/91/56/23/531915623.db2.gz GCASNCGHGBPQIZ-NSHDSACASA-N 1 0 376.471 1.714 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000569822373 531929407 /nfs/dbraw/zinc/92/94/07/531929407.db2.gz UIUGHDDNDQOPBK-OAHLLOKOSA-N 1 0 386.290 1.848 20 0 GDADRO O=C(CNC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1Br ZINC000569811282 531930488 /nfs/dbraw/zinc/93/04/88/531930488.db2.gz QIJGRQCPCYFZSQ-CHWSQXEVSA-N 1 0 395.301 1.045 20 0 GDADRO C[C@]1(CNC(=O)C(=O)NCc2ccc(O)c(Br)c2)CCC[NH2+]C1 ZINC000419412797 531931412 /nfs/dbraw/zinc/93/14/12/531931412.db2.gz RJUPAZJGGTYWSI-INIZCTEOSA-N 1 0 384.274 1.277 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000419448326 531933435 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C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C[C@H]1C[NH3+] ZINC000419582319 531938716 /nfs/dbraw/zinc/93/87/16/531938716.db2.gz FLHRNFTWNLPSPY-HSMVNMDESA-N 1 0 394.313 1.996 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419585544 531938763 /nfs/dbraw/zinc/93/87/63/531938763.db2.gz KOYHWKZUWDCFDT-ABAIWWIYSA-N 1 0 396.285 1.047 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419584058 531938845 /nfs/dbraw/zinc/93/88/45/531938845.db2.gz IBPRXYPQEIJYKY-LKTVYLICSA-N 1 0 380.286 1.809 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3ccc(Br)cc3)[C@@H]2C1 ZINC000284188157 531939186 /nfs/dbraw/zinc/93/91/86/531939186.db2.gz WFVOSDVVXWASRS-GOEBONIOSA-N 1 0 394.313 1.660 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCOCC1 ZINC000626858921 531939360 /nfs/dbraw/zinc/93/93/60/531939360.db2.gz GBYHEMVERZFSRH-UHFFFAOYSA-N 1 0 379.766 1.921 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000419614163 531943111 /nfs/dbraw/zinc/94/31/11/531943111.db2.gz OKVQAAJVTPJUDT-CHWSQXEVSA-N 1 0 398.301 1.448 20 0 GDADRO CS(=O)(=O)C1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CCCC1 ZINC000627036621 531943113 /nfs/dbraw/zinc/94/31/13/531943113.db2.gz LFYCKRIUIWBMBR-NEPJUHHUSA-N 1 0 385.452 1.513 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2cc(Cl)sc2Cl)[C@@H](C[NH3+])C1 ZINC000419623476 531944052 /nfs/dbraw/zinc/94/40/52/531944052.db2.gz HMZMOPAWUSMACY-NXEZZACHSA-N 1 0 380.297 1.636 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)Oc1ccccc1Br ZINC000419621982 531944065 /nfs/dbraw/zinc/94/40/65/531944065.db2.gz SFCCEZBXAYIVOL-UPJWGTAASA-N 1 0 398.301 1.541 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2cc(Cl)sc2Cl)[C@H](C[NH3+])C1 ZINC000419623477 531944145 /nfs/dbraw/zinc/94/41/45/531944145.db2.gz HMZMOPAWUSMACY-UWVGGRQHSA-N 1 0 380.297 1.636 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)Oc1ccccc1Br ZINC000419625151 531945420 /nfs/dbraw/zinc/94/54/20/531945420.db2.gz WFGPTEUBPLJJEV-LBPRGKRZSA-N 1 0 398.301 1.543 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC000419626713 531945771 /nfs/dbraw/zinc/94/57/71/531945771.db2.gz XMKJFSGZSBAAHG-LBPRGKRZSA-N 1 0 386.290 1.448 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)[C@@H]1CC[NH3+] ZINC000652377796 531946041 /nfs/dbraw/zinc/94/60/41/531946041.db2.gz PTLCPRRKUVEBPU-IAQYHMDHSA-N 1 0 393.506 1.335 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1C ZINC000652378073 531946787 /nfs/dbraw/zinc/94/67/87/531946787.db2.gz XXZCJWDJVGGYDB-IUODEOHRSA-N 1 0 389.543 1.041 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000652378282 531946942 /nfs/dbraw/zinc/94/69/42/531946942.db2.gz DECAFYJNNIRPIL-XJKSGUPXSA-N 1 0 389.543 1.075 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)Oc1ccc(Br)cc1 ZINC000419628411 531947011 /nfs/dbraw/zinc/94/70/11/531947011.db2.gz ZILMPZFEDZHPOZ-LALPHHSUSA-N 1 0 398.301 1.447 20 0 GDADRO CS(=O)(=O)NCCC[NH2+]Cc1ccc(F)cc1I ZINC000419648497 531947641 /nfs/dbraw/zinc/94/76/41/531947641.db2.gz SLCBKGXMJXFAHH-UHFFFAOYSA-N 1 0 386.230 1.459 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Br)cn1 ZINC000627296611 531949642 /nfs/dbraw/zinc/94/96/42/531949642.db2.gz MNPDEUWSNXBTLZ-MZPVMMEZSA-N 1 0 395.301 1.479 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419668849 531949926 /nfs/dbraw/zinc/94/99/26/531949926.db2.gz BJFCIWACXMLYNP-UHFFFAOYSA-N 1 0 398.301 1.444 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(I)c[nH]2)C[C@H]1[NH+](C)C ZINC000270993831 531951222 /nfs/dbraw/zinc/95/12/22/531951222.db2.gz FFKCAVPZMZXRNN-GHMZBOCLSA-N 1 0 379.267 1.737 20 0 GDADRO C[N@@H+]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C(C)(C)C1 ZINC000270988889 531951250 /nfs/dbraw/zinc/95/12/50/531951250.db2.gz DMWYMGYUYLPWMA-UHFFFAOYSA-N 1 0 397.317 1.530 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000419669357 531951466 /nfs/dbraw/zinc/95/14/66/531951466.db2.gz BSAAHDLJMWMVKD-QGZVFWFLSA-N 1 0 393.285 1.744 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419670391 531951554 /nfs/dbraw/zinc/95/15/54/531951554.db2.gz CWWUUDFROPXGKN-HZMBPMFUSA-N 1 0 396.285 1.114 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000626867109 531939872 /nfs/dbraw/zinc/93/98/72/531939872.db2.gz NGFUAAYMSCQZSO-UHFFFAOYSA-N 1 0 396.644 1.532 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1F ZINC000369067779 531940382 /nfs/dbraw/zinc/94/03/82/531940382.db2.gz WGCCIXVXGNNZJM-LBPRGKRZSA-N 1 0 393.506 1.398 20 0 GDADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000299095927 531957235 /nfs/dbraw/zinc/95/72/35/531957235.db2.gz WIJKUOMZJFMVPA-CVEARBPZSA-N 1 0 399.333 1.370 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)COc2ccc(SC)cc2)CC1 ZINC000572149067 531958961 /nfs/dbraw/zinc/95/89/61/531958961.db2.gz QLOGNYUYBFXRCO-OAHLLOKOSA-N 1 0 388.555 1.552 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284452709 531960085 /nfs/dbraw/zinc/96/00/85/531960085.db2.gz XHISKQSSMLXRJO-CABCVRRESA-N 1 0 380.286 1.808 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccccc1Br ZINC000572183337 531961018 /nfs/dbraw/zinc/96/10/18/531961018.db2.gz LAPDYCGDAPLFHO-NHYWBVRUSA-N 1 0 380.286 1.664 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1ccccc1I ZINC000597989753 531962680 /nfs/dbraw/zinc/96/26/80/531962680.db2.gz JBCQFSNCEJVVFJ-UHFFFAOYSA-N 1 0 389.281 1.905 20 0 GDADRO CNC(=O)[C@H]1C[N@H+](Cc2cncc(Br)c2)C[C@@H]1c1cnn(C)c1 ZINC000284494876 531962866 /nfs/dbraw/zinc/96/28/66/531962866.db2.gz CYEQBLNOBXENTQ-CABCVRRESA-N 1 0 378.274 1.539 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)C[C@@H]1[NH3+] ZINC000419674931 531952486 /nfs/dbraw/zinc/95/24/86/531952486.db2.gz KMJSPJUZISHYHZ-RNCFNFMXSA-N 1 0 379.258 1.352 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)C1(c2ccc(I)cc2)CC1 ZINC000597655658 531952716 /nfs/dbraw/zinc/95/27/16/531952716.db2.gz ZSEOYQXFDZUDDV-ZDUSSCGKSA-N 1 0 388.249 1.362 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1)C1CC1 ZINC000419673315 531952697 /nfs/dbraw/zinc/95/26/97/531952697.db2.gz IQHTZJVJZIEBNE-CYBMUJFWSA-N 1 0 379.258 1.400 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000627468988 531953821 /nfs/dbraw/zinc/95/38/21/531953821.db2.gz JBXBQBFVYQJUSF-GFCCVEGCSA-N 1 0 386.279 1.589 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419679993 531954001 /nfs/dbraw/zinc/95/40/01/531954001.db2.gz RHPQVPXHKMCGQY-NSHDSACASA-N 1 0 396.285 1.116 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cncc(I)c2)C[C@H]1[NH+](C)C ZINC000271014902 531955420 /nfs/dbraw/zinc/95/54/20/531955420.db2.gz HGBXNFFYQIGZLO-VXGBXAGGSA-N 1 0 391.278 1.804 20 0 GDADRO CC(C)[C@H](CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)N1CCOCC1 ZINC000299214645 531967514 /nfs/dbraw/zinc/96/75/14/531967514.db2.gz HTANWHWKGBJQRW-AWEZNQCLSA-N 1 0 389.905 1.074 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419778832 531967556 /nfs/dbraw/zinc/96/75/56/531967556.db2.gz MTUYAJZKCLQTCJ-NWDGAFQWSA-N 1 0 398.301 1.751 20 0 GDADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)NCC1CC[NH2+]CC1 ZINC000572586243 531967861 /nfs/dbraw/zinc/96/78/61/531967861.db2.gz BQBMAARWAXELNU-HNNXBMFYSA-N 1 0 384.318 1.899 20 0 GDADRO CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000655471034 531968246 /nfs/dbraw/zinc/96/82/46/531968246.db2.gz DBLNSZNEYYFRNZ-ZQIUZPCESA-N 1 0 380.286 1.824 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419781028 531968696 /nfs/dbraw/zinc/96/86/96/531968696.db2.gz PFNWYXXWOTYVQW-SNVBAGLBSA-N 1 0 384.274 1.633 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC[NH2+]1 ZINC000419782912 531969561 /nfs/dbraw/zinc/96/95/61/531969561.db2.gz RUYUFBXNHYQWMR-ZUZCIYMTSA-N 1 0 398.276 1.976 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419786831 531970812 /nfs/dbraw/zinc/97/08/12/531970812.db2.gz ZHJSODOOHHXVPL-CQSZACIVSA-N 1 0 386.265 1.881 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000572840050 531971044 /nfs/dbraw/zinc/97/10/44/531971044.db2.gz KJNRVQXLGDYKJJ-BXUZGUMPSA-N 1 0 398.301 1.893 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419808441 531972060 /nfs/dbraw/zinc/97/20/60/531972060.db2.gz GCTWGSBCMFJTEV-YRGRVCCFSA-N 1 0 382.302 1.692 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000271142634 531973036 /nfs/dbraw/zinc/97/30/36/531973036.db2.gz VTPJMTNHICRLJB-UHFFFAOYSA-N 1 0 389.543 1.195 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)CC[NH3+] ZINC000573001805 531973125 /nfs/dbraw/zinc/97/31/25/531973125.db2.gz AANQXPLDMAYWQO-YPMHNXCESA-N 1 0 377.507 1.079 20 0 GDADRO C[NH+](C)CCn1nccc1NC(=O)CCn1cc(Br)ccc1=O ZINC000573004505 531973404 /nfs/dbraw/zinc/97/34/04/531973404.db2.gz FMJPHLMINJEQPN-UHFFFAOYSA-N 1 0 382.262 1.398 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000572999365 531973448 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C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000419963808 531991767 /nfs/dbraw/zinc/99/17/67/531991767.db2.gz WLAKDMWJBUAGCU-ZWNOBZJWSA-N 1 0 384.274 1.442 20 0 GDADRO CN(C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)[C@@H](C[NH3+])C1CC1 ZINC000573902767 531992367 /nfs/dbraw/zinc/99/23/67/531992367.db2.gz GYBVEEKXIVEQSN-AWEZNQCLSA-N 1 0 398.305 1.882 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000419984432 531993114 /nfs/dbraw/zinc/99/31/14/531993114.db2.gz DDOOYUJNSIBMKV-SMDDNHRTSA-N 1 0 384.274 1.203 20 0 GDADRO O=C(NCCCn1cc(Br)cn1)NC[C@H]1CCCC[N@H+]1CCO ZINC000458766531 531993470 /nfs/dbraw/zinc/99/34/70/531993470.db2.gz MYFVCKJRRKFWDV-CQSZACIVSA-N 1 0 388.310 1.182 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419858025 531979120 /nfs/dbraw/zinc/97/91/20/531979120.db2.gz KWCDCANOJBNZJE-CQSZACIVSA-N 1 0 382.302 1.913 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000419882641 531981000 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C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000332272326 532176719 /nfs/dbraw/zinc/17/67/19/532176719.db2.gz IZBQTLCFZRPVFV-AWEZNQCLSA-N 1 0 385.917 1.515 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332540018 532193155 /nfs/dbraw/zinc/19/31/55/532193155.db2.gz CKOSNHSCPDPDAN-MNOVXSKESA-N 1 0 384.249 1.903 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000427974005 532195357 /nfs/dbraw/zinc/19/53/57/532195357.db2.gz PBAMIYOEOHAIRO-NSHDSACASA-N 1 0 389.905 1.547 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)CC[C@@H]1[NH3+] ZINC000332567248 532195674 /nfs/dbraw/zinc/19/56/74/532195674.db2.gz ADSPEFWZYDZVJY-BMIGLBTASA-N 1 0 398.276 1.669 20 0 GDADRO O=C(Nc1ccncc1I)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332568903 532195894 /nfs/dbraw/zinc/19/58/94/532195894.db2.gz VOUCHNSHYRCKLI-GARJFASQSA-N 1 0 386.237 1.618 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(I)c[nH]2)CC1 ZINC000428051009 532196365 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1.991 20 0 GDADRO O=C(NC[C@H]1CCSC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000286938466 532186357 /nfs/dbraw/zinc/18/63/57/532186357.db2.gz DVOMFHUBIMDTLS-OAHLLOKOSA-N 1 0 381.567 1.946 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000332445077 532186439 /nfs/dbraw/zinc/18/64/39/532186439.db2.gz CYFJEPMIXMAFEA-QWHCGFSZSA-N 1 0 398.276 1.859 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000332482910 532189778 /nfs/dbraw/zinc/18/97/78/532189778.db2.gz MZVQCANZJBJFJN-JSGCOSHPSA-N 1 0 394.313 1.899 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000332482913 532189988 /nfs/dbraw/zinc/18/99/88/532189988.db2.gz MZVQCANZJBJFJN-OCCSQVGLSA-N 1 0 394.313 1.899 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1 ZINC000333081276 532218883 /nfs/dbraw/zinc/21/88/83/532218883.db2.gz XEVBVEASAWBIHO-SJORKVTESA-N 1 0 386.539 1.479 20 0 GDADRO C[C@H](NC(=O)CCC(=O)NC(C)(C)C[NH3+])C(=O)c1ccc(Br)cc1 ZINC000428892738 532218932 /nfs/dbraw/zinc/21/89/32/532218932.db2.gz QWDKWRYCWWJBQR-NSHDSACASA-N 1 0 398.301 1.770 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C)c2Br)C1 ZINC000274383005 532206785 /nfs/dbraw/zinc/20/67/85/532206785.db2.gz FHBATEOKRLLHBA-GFCCVEGCSA-N 1 0 384.274 1.533 20 0 GDADRO NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000287325038 532209304 /nfs/dbraw/zinc/20/93/04/532209304.db2.gz VLQQSKIBWPZYGJ-GXTWGEPZSA-N 1 0 378.416 1.516 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000428560492 532210647 /nfs/dbraw/zinc/21/06/47/532210647.db2.gz QLQXLDLOJWMRKC-UHFFFAOYSA-N 1 0 377.894 1.423 20 0 GDADRO C[N@H+](CCNC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)C1CC1 ZINC000376365292 532210664 /nfs/dbraw/zinc/21/06/64/532210664.db2.gz GDCHFMBGPGAJCL-ZDUSSCGKSA-N 1 0 386.543 1.152 20 0 GDADRO C[C@H](C[NH3+])NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000274443035 532210989 /nfs/dbraw/zinc/21/09/89/532210989.db2.gz QSSJXHJIJRWALD-GFCCVEGCSA-N 1 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CC[N@H+](CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)C1CCCC1 ZINC000736554649 598334492 /nfs/dbraw/zinc/33/44/92/598334492.db2.gz AKDIIJKVRJFJFR-UHFFFAOYSA-N 1 0 383.456 1.853 20 0 GDADRO Cn1cc(C[N@@H+]2CCCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)CC2)cn1 ZINC000737600955 598336794 /nfs/dbraw/zinc/33/67/94/598336794.db2.gz CHZLDDYGOFWDSH-UHFFFAOYSA-N 1 0 379.472 1.196 20 0 GDADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000736804251 598340584 /nfs/dbraw/zinc/34/05/84/598340584.db2.gz JYESOLSCIGDABK-OAHLLOKOSA-N 1 0 380.456 1.636 20 0 GDADRO CCOCC[N@@H+]1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736618475 598345547 /nfs/dbraw/zinc/34/55/47/598345547.db2.gz LJLTUBKHOVGFHH-HNNXBMFYSA-N 1 0 387.488 1.238 20 0 GDADRO Cc1nc(C)n([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)n1 ZINC000737472924 598368262 /nfs/dbraw/zinc/36/82/62/598368262.db2.gz BXZIDPIXRQPWEC-HNNXBMFYSA-N 1 0 395.471 1.741 20 0 GDADRO COC(=O)CC[C@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1ccccc1 ZINC000736912648 598369616 /nfs/dbraw/zinc/36/96/16/598369616.db2.gz SUAUBKIQNAJGCA-INIZCTEOSA-N 1 0 392.423 1.694 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736980208 598407683 /nfs/dbraw/zinc/40/76/83/598407683.db2.gz ARWWLJWHQHEMQE-CQSZACIVSA-N 1 0 388.472 1.251 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)CC1 ZINC000736981456 598408407 /nfs/dbraw/zinc/40/84/07/598408407.db2.gz LAJLBJLVHSCWKM-AWEZNQCLSA-N 1 0 388.472 1.251 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000735761947 598435833 /nfs/dbraw/zinc/43/58/33/598435833.db2.gz SEZFWEPZYFLMLF-AWEZNQCLSA-N 1 0 397.487 1.341 20 0 GDADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000735761948 598435938 /nfs/dbraw/zinc/43/59/38/598435938.db2.gz SEZFWEPZYFLMLF-CQSZACIVSA-N 1 0 397.487 1.341 20 0 GDADRO CC[NH+]1CCC(n2nccc2NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736569341 598453840 /nfs/dbraw/zinc/45/38/40/598453840.db2.gz GLQVZNDZEQGCQO-UHFFFAOYSA-N 1 0 395.471 1.771 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736766863 598462127 /nfs/dbraw/zinc/46/21/27/598462127.db2.gz GMMBGFMGZSJMSQ-UHFFFAOYSA-N 1 0 387.394 1.744 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000738163245 598486238 /nfs/dbraw/zinc/48/62/38/598486238.db2.gz QLBFYBPYFWXAND-CYBMUJFWSA-N 1 0 387.419 1.031 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)CSc2nc(C)c(C)c(C)c2-c2nn[nH]n2)C1 ZINC000736565490 598486729 /nfs/dbraw/zinc/48/67/29/598486729.db2.gz KUDGDTAYXSVWFO-CQSZACIVSA-N 1 0 389.529 1.737 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000738332507 598509486 /nfs/dbraw/zinc/50/94/86/598509486.db2.gz ZUSWQHUEMANTMY-KRWDZBQOSA-N 1 0 390.513 1.647 20 0 GDADRO COc1ccc([C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CC2)cc1 ZINC000737075342 598519925 /nfs/dbraw/zinc/51/99/25/598519925.db2.gz MSXSVLQZTFZXSD-PXAZEXFGSA-N 1 0 380.456 1.854 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1ccc(OC3CCCC3)nc1)C2 ZINC000738417804 598523842 /nfs/dbraw/zinc/52/38/42/598523842.db2.gz CWRMOLYFBTZIDL-CQSZACIVSA-N 1 0 395.471 1.611 20 0 GDADRO CN(CCCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736792795 598524606 /nfs/dbraw/zinc/52/46/06/598524606.db2.gz PFMFUHMJYSXWPI-HNNXBMFYSA-N 1 0 381.488 1.611 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000738384222 598524802 /nfs/dbraw/zinc/52/48/02/598524802.db2.gz DCSFLBJRHVCYMW-QZTJIDSGSA-N 1 0 386.500 1.557 20 0 GDADRO COc1ccccc1CC(C)(C)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737154154 598531062 /nfs/dbraw/zinc/53/10/62/598531062.db2.gz YBBPEMPDXHINPT-ZDUSSCGKSA-N 1 0 382.472 1.724 20 0 GDADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000736179328 598556992 /nfs/dbraw/zinc/55/69/92/598556992.db2.gz CNPODGPMHMOCEG-GJZGRUSLSA-N 1 0 388.472 1.203 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CCC([NH+](C)C)CC1 ZINC000819876963 607361968 /nfs/dbraw/zinc/36/19/68/607361968.db2.gz LJPOTGAAGFGIAL-NSHDSACASA-N 1 0 389.529 1.770 20 0 GDADRO CCCNC(=O)CCC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736479148 598598031 /nfs/dbraw/zinc/59/80/31/598598031.db2.gz BERIKBYDQVGXFZ-UHFFFAOYSA-N 1 0 399.499 1.207 20 0 GDADRO C[C@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1ccc2c(c1)CC(=O)N2C ZINC000736135123 598616998 /nfs/dbraw/zinc/61/69/98/598616998.db2.gz NCGIHUCHQCAFLC-NSHDSACASA-N 1 0 389.423 1.279 20 0 GDADRO C[NH+](C)C1(CNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CCCCCC1 ZINC000736756074 598630055 /nfs/dbraw/zinc/63/00/55/598630055.db2.gz ICSIUUFGODYFBH-UHFFFAOYSA-N 1 0 393.517 1.581 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000735835164 598631671 /nfs/dbraw/zinc/63/16/71/598631671.db2.gz FKOGLUJGLQCQNT-CYBMUJFWSA-N 1 0 377.424 1.484 20 0 GDADRO O=C(NCCC[NH+]1CCCCCC1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738065113 598636010 /nfs/dbraw/zinc/63/60/10/598636010.db2.gz 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Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC000737244322 598746180 /nfs/dbraw/zinc/74/61/80/598746180.db2.gz FIEIFGSOMATKGO-UHFFFAOYSA-N 1 0 399.421 1.970 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736860747 598758055 /nfs/dbraw/zinc/75/80/55/598758055.db2.gz VEEZKSFREVIIIW-GJZGRUSLSA-N 1 0 380.449 1.253 20 0 GDADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736797054 598776188 /nfs/dbraw/zinc/77/61/88/598776188.db2.gz FRPYTVGPPXMSLR-AWEZNQCLSA-N 1 0 398.389 1.731 20 0 GDADRO O=C(C[N@H+]1CCCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1)N1CCCC1 ZINC000737874797 598793457 /nfs/dbraw/zinc/79/34/57/598793457.db2.gz ZXBDRLNCHLYARW-UHFFFAOYSA-N 1 0 389.891 1.655 20 0 GDADRO O=C(CC[N@@H+](CCO)CCc1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000737839410 598797788 /nfs/dbraw/zinc/79/77/88/598797788.db2.gz RRWYBUHAZSLABF-UHFFFAOYSA-N 1 0 386.481 1.794 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000737026632 598812619 /nfs/dbraw/zinc/81/26/19/598812619.db2.gz YZNFAUCRBWWKMW-UHFFFAOYSA-N 1 0 388.472 1.587 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000736568927 598817527 /nfs/dbraw/zinc/81/75/27/598817527.db2.gz DTHJQPPNGWKBCN-MRXNPFEDSA-N 1 0 387.463 1.529 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000736290527 599300873 /nfs/dbraw/zinc/30/08/73/599300873.db2.gz QQIJESRFUWVEND-BBRMVZONSA-N 1 0 378.502 1.405 20 0 GDADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000736201331 599309766 /nfs/dbraw/zinc/30/97/66/599309766.db2.gz XBNFJXHVQVXIEK-CYBMUJFWSA-N 1 0 390.455 1.427 20 0 GDADRO C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@@H+]2CCC3(CCCC3)C2)C1=O ZINC000820637541 599328904 /nfs/dbraw/zinc/32/89/04/599328904.db2.gz ZHJFGMNZOBMFCM-IBGZPJMESA-N 1 0 395.467 1.857 20 0 GDADRO COCCOC[C@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821692459 599329721 /nfs/dbraw/zinc/32/97/21/599329721.db2.gz YGSQYYWMSMVAFP-HNNXBMFYSA-N 1 0 398.471 1.376 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820752100 599346690 /nfs/dbraw/zinc/34/66/90/599346690.db2.gz KHVGENDJBGDBOW-YGRLFVJLSA-N 1 0 384.893 1.481 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)[C@H](C)C1 ZINC000821253098 599347167 /nfs/dbraw/zinc/34/71/67/599347167.db2.gz CPHMCYIUKNJIHS-UKRRQHHQSA-N 1 0 378.502 1.526 20 0 GDADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420537 599366859 /nfs/dbraw/zinc/36/68/59/599366859.db2.gz SOBVWXGMYGVYAP-AWEZNQCLSA-N 1 0 386.481 1.637 20 0 GDADRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[C@H]2CCCO[C@@H]21 ZINC000820585544 599382273 /nfs/dbraw/zinc/38/22/73/599382273.db2.gz OKMYQKDVVFQOFP-VQHPVUNQSA-N 1 0 382.468 1.765 20 0 GDADRO [NH2+]=C(COc1ccccc1)NOCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822889778 599383394 /nfs/dbraw/zinc/38/33/94/599383394.db2.gz FCFXMKNRUVUIMD-UHFFFAOYSA-N 1 0 392.379 1.994 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ZINC000820092493 599462820 /nfs/dbraw/zinc/46/28/20/599462820.db2.gz MSSSZPQYXHENDY-OAHLLOKOSA-N 1 0 391.451 1.162 20 0 GDADRO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737390862 599482233 /nfs/dbraw/zinc/48/22/33/599482233.db2.gz SKQQDGQGLOASNA-UHFFFAOYSA-N 1 0 376.424 1.860 20 0 GDADRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000735586988 599483910 /nfs/dbraw/zinc/48/39/10/599483910.db2.gz ORUCKGHOPHYQAW-UHFFFAOYSA-N 1 0 382.472 1.641 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000738433208 599486099 /nfs/dbraw/zinc/48/60/99/599486099.db2.gz RSNNGQFGTPVLKJ-UHFFFAOYSA-N 1 0 389.467 1.664 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000738413674 599486105 /nfs/dbraw/zinc/48/61/05/599486105.db2.gz UNKKOICCKWOXOS-UHFFFAOYSA-N 1 0 391.439 1.036 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000737003551 599492160 /nfs/dbraw/zinc/49/21/60/599492160.db2.gz 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c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CC[NH+](C4CCCC4)CC3)o2)c1 ZINC000823737783 599563683 /nfs/dbraw/zinc/56/36/83/599563683.db2.gz KGQZBXSJBGAFIB-UHFFFAOYSA-N 1 0 380.456 1.977 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)N1CCC[C@@H](O)C1 ZINC000735570584 599566255 /nfs/dbraw/zinc/56/62/55/599566255.db2.gz NYNIWXHBROHNRL-NWDGAFQWSA-N 1 0 390.513 1.981 20 0 GDADRO c1cc(-c2nnc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823737697 599572961 /nfs/dbraw/zinc/57/29/61/599572961.db2.gz IPCJGNQTUBUSEG-CQSZACIVSA-N 1 0 383.412 1.502 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821625247 599574438 /nfs/dbraw/zinc/57/44/38/599574438.db2.gz JGQXFQPQPHMNMZ-CVEARBPZSA-N 1 0 380.456 1.975 20 0 GDADRO CC[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000821169825 599589642 /nfs/dbraw/zinc/58/96/42/599589642.db2.gz FMXNVDBVFHOCJZ-QUCCMNQESA-N 1 0 397.479 1.970 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC[C@H]([NH+]2CCCC2)CC1 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CC(C)OCCN1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000820145631 606165337 /nfs/dbraw/zinc/16/53/37/606165337.db2.gz CLZDKCTYZCKFLV-UHFFFAOYSA-N 1 0 384.488 1.493 20 0 GDADRO C[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000820269320 606166486 /nfs/dbraw/zinc/16/64/86/606166486.db2.gz JRKUGOBSGWRZHV-LBPRGKRZSA-N 1 0 381.444 1.169 20 0 GDADRO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000821367383 606190735 /nfs/dbraw/zinc/19/07/35/606190735.db2.gz IAYZZJSLSFPPCS-CQSZACIVSA-N 1 0 396.455 1.349 20 0 GDADRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820077005 606201997 /nfs/dbraw/zinc/20/19/97/606201997.db2.gz XODILZWTROMBCN-UHFFFAOYSA-N 1 0 392.529 1.903 20 0 GDADRO OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823714617 606222522 /nfs/dbraw/zinc/22/25/22/606222522.db2.gz NSHUIKADSLVCFM-FUHWJXTLSA-N 1 0 384.509 1.901 20 0 GDADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)cc2)C[C@H](C)O1 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CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821351515 606632877 /nfs/dbraw/zinc/63/28/77/606632877.db2.gz RUMLOUSYIPABOM-LBPRGKRZSA-N 1 0 381.868 1.998 20 0 GDADRO C[C@@H]1C[NH+](CCCCNC(=O)COc2cccc(-c3nn[nH]n3)c2)C[C@@H](C)O1 ZINC000820761288 606641326 /nfs/dbraw/zinc/64/13/26/606641326.db2.gz WUINWFSYKDTUIG-HUUCEWRRSA-N 1 0 388.472 1.251 20 0 GDADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000821243130 606679130 /nfs/dbraw/zinc/67/91/30/606679130.db2.gz ZFFOPLMLLIQRBI-DOTOQJQBSA-N 1 0 398.515 1.429 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000821267291 606684317 /nfs/dbraw/zinc/68/43/17/606684317.db2.gz LZXXMNCBBFMYFU-GFCCVEGCSA-N 1 0 393.442 1.148 20 0 GDADRO C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000819856994 606699723 /nfs/dbraw/zinc/69/97/23/606699723.db2.gz NWAAKOLLZVUAIF-GFCCVEGCSA-N 1 0 389.508 1.121 20 0 GDADRO CCc1ccccc1NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000821496852 606699827 /nfs/dbraw/zinc/69/98/27/606699827.db2.gz KHGLDAFQTMGMKO-UHFFFAOYSA-N 1 0 383.460 1.238 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)c2ccccc2O1 ZINC000821584415 606747035 /nfs/dbraw/zinc/74/70/35/606747035.db2.gz CGWUCNQDKUUCSL-INIZCTEOSA-N 1 0 394.435 1.601 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)c2ccccc2O1 ZINC000821584823 606758950 /nfs/dbraw/zinc/75/89/50/606758950.db2.gz UMGVOYFPMAQGHX-INIZCTEOSA-N 1 0 393.451 1.634 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820360001 606770310 /nfs/dbraw/zinc/77/03/10/606770310.db2.gz WNVJYFROTRYBFN-CQSZACIVSA-N 1 0 387.488 1.462 20 0 GDADRO O=C(CC[N@@H+]1CC[C@@]2(CCOC2)C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000822965032 606772845 /nfs/dbraw/zinc/77/28/45/606772845.db2.gz XLLMYFKQZUNPIZ-GOSISDBHSA-N 1 0 388.497 1.858 20 0 GDADRO Cc1ccc(C)c(OCC[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000822231759 606781382 /nfs/dbraw/zinc/78/13/82/606781382.db2.gz 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CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819939744 606890753 /nfs/dbraw/zinc/89/07/53/606890753.db2.gz IOUBMRFXLJTUCB-CZUORRHYSA-N 1 0 388.472 1.747 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821267039 606893694 /nfs/dbraw/zinc/89/36/94/606893694.db2.gz JFHRWSVFHAJRJN-LLVKDONJSA-N 1 0 386.428 1.250 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821001380 606893760 /nfs/dbraw/zinc/89/37/60/606893760.db2.gz RAHFWXKDODBEGW-NWDGAFQWSA-N 1 0 398.439 1.392 20 0 GDADRO CCc1nnc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c1CC ZINC000821527353 606910892 /nfs/dbraw/zinc/91/08/92/606910892.db2.gz DKUZOBWHQZXVNX-OAHLLOKOSA-N 1 0 399.547 1.388 20 0 GDADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000820055299 606912565 /nfs/dbraw/zinc/91/25/65/606912565.db2.gz HWLBLZYQFCWHKN-WMZOPIPTSA-N 1 0 385.516 1.928 20 0 GDADRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000821357758 606917359 /nfs/dbraw/zinc/91/73/59/606917359.db2.gz FLTUGNHFOUVEFL-IAGOWNOFSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)N1C(=O)N[C@@]2(CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)C1=O ZINC000820126544 606927733 /nfs/dbraw/zinc/92/77/33/606927733.db2.gz ACPAOQFBFWIKMA-LJQANCHMSA-N 1 0 399.455 1.040 20 0 GDADRO COc1ccc(C[NH2+][C@@H](CCSC)C(=O)N(C)OC)cc1-c1nn[nH]n1 ZINC000821818006 607008007 /nfs/dbraw/zinc/00/80/07/607008007.db2.gz HGCSUGRGKQAURP-ZDUSSCGKSA-N 1 0 380.474 1.106 20 0 GDADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000819997444 607016349 /nfs/dbraw/zinc/01/63/49/607016349.db2.gz VTKUWPQGNGMBPR-ZBFHGGJFSA-N 1 0 386.456 1.004 20 0 GDADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000819997443 607016664 /nfs/dbraw/zinc/01/66/64/607016664.db2.gz VTKUWPQGNGMBPR-HOCLYGCPSA-N 1 0 386.456 1.004 20 0 GDADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821586017 607020501 /nfs/dbraw/zinc/02/05/01/607020501.db2.gz FZPHBZBRCAXTDE-UHFFFAOYSA-N 1 0 382.465 1.501 20 0 GDADRO COC(=O)[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]1C ZINC000530340213 649970243 /nfs/dbraw/zinc/97/02/43/649970243.db2.gz NEVYPCKRKLOSGP-MFKMUULPSA-N 1 0 380.242 1.840 20 0 GDADRO COC1CC[NH+](CCNC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821679586 607055956 /nfs/dbraw/zinc/05/59/56/607055956.db2.gz DFAWGXCILPUTFN-UHFFFAOYSA-N 1 0 388.472 1.251 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)Oc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625675 607071894 /nfs/dbraw/zinc/07/18/94/607071894.db2.gz UBCIWSMHSCVQTN-RDJZCZTQSA-N 1 0 384.484 1.967 20 0 GDADRO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)Nc1sccc1-c1nn[nH]n1 ZINC000822964199 607074615 /nfs/dbraw/zinc/07/46/15/607074615.db2.gz FVYHEPXMNNDRKB-YVEFUNNKSA-N 1 0 376.486 1.884 20 0 GDADRO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1sccc1-c1nn[nH]n1 ZINC000822964194 607074971 /nfs/dbraw/zinc/07/49/71/607074971.db2.gz FVYHEPXMNNDRKB-SJCJKPOMSA-N 1 0 376.486 1.884 20 0 GDADRO O=C(CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964576 607106846 /nfs/dbraw/zinc/10/68/46/607106846.db2.gz KGBYQKUHOXHINV-HNNXBMFYSA-N 1 0 398.389 1.831 20 0 GDADRO O=C(CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822964451 607106929 /nfs/dbraw/zinc/10/69/29/607106929.db2.gz IYUMMILMPQFWGF-OAHLLOKOSA-N 1 0 398.389 1.831 20 0 GDADRO O=C1[C@@H](N2CC[NH+](C3CCCCC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504327 607107790 /nfs/dbraw/zinc/10/77/90/607107790.db2.gz OYKCHIRYJQSTBK-IBGZPJMESA-N 1 0 395.511 1.922 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000823359175 607141711 /nfs/dbraw/zinc/14/17/11/607141711.db2.gz JLHJEKQSRWORDR-IAGOWNOFSA-N 1 0 385.472 1.756 20 0 GDADRO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C[C@H]1N1CCOCC1 ZINC000820994811 607175011 /nfs/dbraw/zinc/17/50/11/607175011.db2.gz KYTKSPCNISVZHT-HDMKZQKVSA-N 1 0 399.499 1.236 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821180375 607180953 /nfs/dbraw/zinc/18/09/53/607180953.db2.gz CCNJUYJHUKVJSR-JTQLQIEISA-N 1 0 379.852 1.305 20 0 GDADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000823161354 607192266 /nfs/dbraw/zinc/19/22/66/607192266.db2.gz NJTCDUXWYKAQHS-RBUKOAKNSA-N 1 0 392.463 1.480 20 0 GDADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000823087352 607223900 /nfs/dbraw/zinc/22/39/00/607223900.db2.gz PIQWQIMRDCBHJZ-SFHVURJKSA-N 1 0 384.484 1.513 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000821623572 607230695 /nfs/dbraw/zinc/23/06/95/607230695.db2.gz NKCUUSRPHWASSD-RISCZKNCSA-N 1 0 396.904 1.625 20 0 GDADRO CCN1C(=O)N=NC1C1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000821564068 607236486 /nfs/dbraw/zinc/23/64/86/607236486.db2.gz SJRMJMVOGYRTTO-UHFFFAOYSA-N 1 0 384.444 1.442 20 0 GDADRO Cc1ccc([C@@H](O)C[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826284221 607815535 /nfs/dbraw/zinc/81/55/35/607815535.db2.gz NKZOKSFNIUKQID-KRWDZBQOSA-N 1 0 387.465 1.272 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000826022295 607906952 /nfs/dbraw/zinc/90/69/52/607906952.db2.gz IXAFXOYFLUWJKO-HNNXBMFYSA-N 1 0 376.486 1.219 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000826255274 607907235 /nfs/dbraw/zinc/90/72/35/607907235.db2.gz RCFMMTHWGKWKNW-INIZCTEOSA-N 1 0 390.513 1.528 20 0 GDADRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825804948 607922467 /nfs/dbraw/zinc/92/24/67/607922467.db2.gz LQVZEPWOKMZGST-AWEZNQCLSA-N 1 0 396.455 1.644 20 0 GDADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1cn[nH]c1 ZINC000824489471 607959394 /nfs/dbraw/zinc/95/93/94/607959394.db2.gz LIIPHYRAZOZSDE-CYBMUJFWSA-N 1 0 383.460 1.424 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)c1ccccn1 ZINC000825865853 607970368 /nfs/dbraw/zinc/97/03/68/607970368.db2.gz 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CC[N@H+](C)[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)c1ccccc1 ZINC000825391189 608212935 /nfs/dbraw/zinc/21/29/35/608212935.db2.gz WHKOOZCBXGQGER-MRXNPFEDSA-N 1 0 397.487 1.256 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C[C@@H]1C ZINC000825445016 608255856 /nfs/dbraw/zinc/25/58/56/608255856.db2.gz UNRPIHQHXTXECD-QWRGUYRKSA-N 1 0 377.518 1.898 20 0 GDADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(CC(N)=O)CC2)c1-c1nn[nH]n1 ZINC000826332009 608309464 /nfs/dbraw/zinc/30/94/64/608309464.db2.gz GYUQXFZTWPAWBE-UHFFFAOYSA-N 1 0 380.456 1.448 20 0 GDADRO Cc1nn(-c2ccccc2)c(CN2CC[NH+](CC(C)(C)O)CC2)c1-c1nn[nH]n1 ZINC000826332388 608313208 /nfs/dbraw/zinc/31/32/08/608313208.db2.gz SHCMWQRPYYKBSL-UHFFFAOYSA-N 1 0 396.499 1.249 20 0 GDADRO O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000826485158 608330672 /nfs/dbraw/zinc/33/06/72/608330672.db2.gz DYDSEFDXGPLMGW-OAHLLOKOSA-N 1 0 394.476 1.396 20 0 GDADRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826432565 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C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000824564414 608559505 /nfs/dbraw/zinc/55/95/05/608559505.db2.gz SXHRMKNSVBDASV-CYBMUJFWSA-N 1 0 389.423 1.737 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CC[C@@H](C)C3)C[C@@H]1O ZINC000824969820 608585828 /nfs/dbraw/zinc/58/58/28/608585828.db2.gz VBDOSXSFWDCJIC-WZRBSPASSA-N 1 0 390.513 1.694 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000824906913 608646861 /nfs/dbraw/zinc/64/68/61/608646861.db2.gz FFBTXCLINOYFPZ-HOTGVXAUSA-N 1 0 387.507 1.996 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824109148 608653006 /nfs/dbraw/zinc/65/30/06/608653006.db2.gz NWRHJLSLCYUJFI-ZDUSSCGKSA-N 1 0 398.471 1.861 20 0 GDADRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000824193476 608658827 /nfs/dbraw/zinc/65/88/27/608658827.db2.gz YSPDMFJWCTXFGY-CQSZACIVSA-N 1 0 396.499 1.887 20 0 GDADRO 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GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000564392395 650756710 /nfs/dbraw/zinc/75/67/10/650756710.db2.gz PBGQUBDAJPSIEL-GDBMZVCRSA-N 1 0 375.535 1.168 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000564451642 650758290 /nfs/dbraw/zinc/75/82/90/650758290.db2.gz WHVIVIFNFWJYLJ-LBPRGKRZSA-N 1 0 381.832 1.122 20 0 GDADRO Cc1sc2nc(C)nc(SCC(=O)NCCN3CC[NH2+]CC3)c2c1C ZINC000564209590 650752353 /nfs/dbraw/zinc/75/23/53/650752353.db2.gz YJPJKXVGAWQLIN-UHFFFAOYSA-N 1 0 379.555 1.730 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000564735493 650766362 /nfs/dbraw/zinc/76/63/62/650766362.db2.gz RFCQSYMRVNXWCV-UWVGGRQHSA-N 1 0 380.297 1.610 20 0 GDADRO CCN(CCC[NH+]1CCCC1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000564525928 650760316 /nfs/dbraw/zinc/76/03/16/650760316.db2.gz UAUIZTKVMSZUGC-UHFFFAOYSA-N 1 0 387.933 1.953 20 0 GDADRO CSC1(CNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)CC[NH+](C)CC1 ZINC000564599420 650762577 /nfs/dbraw/zinc/76/25/77/650762577.db2.gz WMFSBCRIFOBTJZ-UHFFFAOYSA-N 1 0 385.555 1.924 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000564615273 650762813 /nfs/dbraw/zinc/76/28/13/650762813.db2.gz IEBBTGVFQKCCCS-JTQLQIEISA-N 1 0 380.297 1.340 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000564641828 650763481 /nfs/dbraw/zinc/76/34/81/650763481.db2.gz IMGACOVMNGFCRA-MRVPVSSYSA-N 1 0 378.654 1.903 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC[NH2+]C(C)C)cc1F ZINC000564656708 650763894 /nfs/dbraw/zinc/76/38/94/650763894.db2.gz WWULQZLMCSMONZ-UHFFFAOYSA-N 1 0 395.522 1.644 20 0 GDADRO CSc1ccsc1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000564951798 650774543 /nfs/dbraw/zinc/77/45/43/650774543.db2.gz ROCBQTBZPDAFHM-OLZOCXBDSA-N 1 0 380.539 1.830 20 0 GDADRO CN(C)Cc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1Br ZINC000564939523 650773657 /nfs/dbraw/zinc/77/36/57/650773657.db2.gz FKOWMJWSRUEWJY-OAHLLOKOSA-N 1 0 397.317 1.708 20 0 GDADRO CN1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)[C@H](C[NH3+])C1 ZINC000564944421 650773820 /nfs/dbraw/zinc/77/38/20/650773820.db2.gz VHSXKUINUYFOMX-LLVKDONJSA-N 1 0 380.901 1.386 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000564799379 650767962 /nfs/dbraw/zinc/76/79/62/650767962.db2.gz WPDBNLDCVKZXAR-RKDXNWHRSA-N 1 0 376.682 1.961 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000564825292 650768811 /nfs/dbraw/zinc/76/88/11/650768811.db2.gz YSFZSNCKXSBFQC-LLVKDONJSA-N 1 0 386.265 1.744 20 0 GDADRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000565086829 650781208 /nfs/dbraw/zinc/78/12/08/650781208.db2.gz GVJJTRBJUQLCQV-MFKMUULPSA-N 1 0 379.320 1.983 20 0 GDADRO O=C(c1scnc1C(F)(F)F)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000565213912 650784555 /nfs/dbraw/zinc/78/45/55/650784555.db2.gz GKDKEDHPNRLPPJ-JTQLQIEISA-N 1 0 376.404 1.446 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000565219988 650784712 /nfs/dbraw/zinc/78/47/12/650784712.db2.gz AEKYLJBAASWNLW-KBPBESRZSA-N 1 0 380.286 1.442 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000565220800 650784896 /nfs/dbraw/zinc/78/48/96/650784896.db2.gz FJURVHIIHOCEKO-ZDUSSCGKSA-N 1 0 382.302 1.880 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000565347447 650792664 /nfs/dbraw/zinc/79/26/64/650792664.db2.gz NAQGUNZERKMVBN-LBPRGKRZSA-N 1 0 398.305 1.754 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000565363253 650793546 /nfs/dbraw/zinc/79/35/46/650793546.db2.gz BNAFMELTIBFAKW-UWVGGRQHSA-N 1 0 388.693 1.914 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000565489508 650799354 /nfs/dbraw/zinc/79/93/54/650799354.db2.gz YEJWZFUIDAHJMO-HZPDHXFCSA-N 1 0 389.587 1.134 20 0 GDADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cccc(Br)c1Cl ZINC000565891449 650819630 /nfs/dbraw/zinc/81/96/30/650819630.db2.gz JJQFVBXTZBYTCQ-UHFFFAOYSA-N 1 0 385.653 1.883 20 0 GDADRO COc1cc(NC(=O)CC[NH2+]CC2(S(C)(=O)=O)CC2)c(OC)cc1Cl ZINC000566123545 650829019 /nfs/dbraw/zinc/82/90/19/650829019.db2.gz BQURULBSWXBDKE-UHFFFAOYSA-N 1 0 390.889 1.853 20 0 GDADRO O=C(C[C@H]1C[NH2+]CCO1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000566195317 650834243 /nfs/dbraw/zinc/83/42/43/650834243.db2.gz LAUAZAGSOXGKSW-LBPRGKRZSA-N 1 0 381.230 1.494 20 0 GDADRO C[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000566199529 650834569 /nfs/dbraw/zinc/83/45/69/650834569.db2.gz CRLPAOUSEMKGTD-GHMZBOCLSA-N 1 0 394.269 1.549 20 0 GDADRO Cn1ccnc1Sc1ncc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000566212818 650835275 /nfs/dbraw/zinc/83/52/75/650835275.db2.gz HYOISJCHDJBQMF-GFCCVEGCSA-N 1 0 381.889 1.728 20 0 GDADRO Cn1cc(C[C@@H](CO)C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)cn1 ZINC000566231811 650836675 /nfs/dbraw/zinc/83/66/75/650836675.db2.gz UJTXNXPGJPKMKF-HIFRSBDPSA-N 1 0 388.295 1.907 20 0 GDADRO COc1cc(C)c(Br)cc1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000566454530 650846446 /nfs/dbraw/zinc/84/64/46/650846446.db2.gz CPRJIFPMOFQGHJ-KRWDZBQOSA-N 1 0 383.286 1.953 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(I)c1 ZINC000566738734 650863934 /nfs/dbraw/zinc/86/39/34/650863934.db2.gz REDALGGTMBFPAQ-LBPRGKRZSA-N 1 0 387.221 1.488 20 0 GDADRO CN(CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)S(=O)(=O)c1ccc(Cl)s1 ZINC000566791490 650866457 /nfs/dbraw/zinc/86/64/57/650866457.db2.gz FAOHTDJIWPECPP-OAHLLOKOSA-N 1 0 391.946 1.624 20 0 GDADRO O=S(=O)(NC[C@H]1CCC[N@@H+](C[C@H](O)COCc2cccs2)C1)C1CC1 ZINC000567080740 650884343 /nfs/dbraw/zinc/88/43/43/650884343.db2.gz YAWSHZOZVVDXLJ-CABCVRRESA-N 1 0 388.555 1.419 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)cc1C(=O)OC ZINC000567094158 650884876 /nfs/dbraw/zinc/88/48/76/650884876.db2.gz GBRXKZMOYAWIFC-UHFFFAOYSA-N 1 0 386.246 1.290 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C1 ZINC000567220836 650893461 /nfs/dbraw/zinc/89/34/61/650893461.db2.gz JSQUBWNHSMVDIJ-SSDOTTSWSA-N 1 0 380.164 1.966 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)Cc2cc(Cl)c(Br)cc2F)C[C@@H]1O ZINC000567247804 650895084 /nfs/dbraw/zinc/89/50/84/650895084.db2.gz RLPDDMCOBFRPTN-STQMWFEESA-N 1 0 379.657 1.917 20 0 GDADRO CN1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)[C@H](C[NH3+])C1 ZINC000567249204 650895195 /nfs/dbraw/zinc/89/51/95/650895195.db2.gz DDYDWPRRRSRSJQ-SNVBAGLBSA-N 1 0 381.278 1.110 20 0 GDADRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000567346346 650900520 /nfs/dbraw/zinc/90/05/20/650900520.db2.gz BTQOECDPQGMZQA-MRCXROJRSA-N 1 0 396.278 1.351 20 0 GDADRO CC[NH+](CC)CCN(C(=S)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000011047082 644229716 /nfs/dbraw/zinc/22/97/16/644229716.db2.gz ZAUCFVLCCLVEME-KRWDZBQOSA-N 1 0 383.583 1.892 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000567479437 650907032 /nfs/dbraw/zinc/90/70/32/650907032.db2.gz HDRUPYPJKBJKBR-AQNFWKISSA-N 1 0 380.286 1.535 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000567479438 650907052 /nfs/dbraw/zinc/90/70/52/650907052.db2.gz HDRUPYPJKBJKBR-BSLXNSKLSA-N 1 0 380.286 1.535 20 0 GDADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)CCNS(=O)(=O)c1cccs1 ZINC000567502931 650908425 /nfs/dbraw/zinc/90/84/25/650908425.db2.gz RFLCLKWSDDOKIZ-OAHLLOKOSA-N 1 0 381.523 1.795 20 0 GDADRO Cn1cnnc1SCC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000033752392 644318091 /nfs/dbraw/zinc/31/80/91/644318091.db2.gz ZIYZLRNKWWUDOM-UHFFFAOYSA-N 1 0 380.905 1.951 20 0 GDADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCC[NH+](C)C ZINC000042922843 644337960 /nfs/dbraw/zinc/33/79/60/644337960.db2.gz RKJFLIWMFSDUFF-LLVKDONJSA-N 1 0 387.278 1.499 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000567663196 650913467 /nfs/dbraw/zinc/91/34/67/650913467.db2.gz GXAQOSNOFITVAJ-LSDHHAIUSA-N 1 0 392.301 1.856 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000567671280 650913902 /nfs/dbraw/zinc/91/39/02/650913902.db2.gz MLRKQESJICSDLZ-UWWQBHOKSA-N 1 0 378.314 1.673 20 0 GDADRO Cn1cc(Br)cc1C(=O)NNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047105547 644369940 /nfs/dbraw/zinc/36/99/40/644369940.db2.gz VVBAQBVDZPCRRB-NWDGAFQWSA-N 1 0 384.278 1.358 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000567692011 650915395 /nfs/dbraw/zinc/91/53/95/650915395.db2.gz MBEFWCBDKGSJGN-AAEUAGOBSA-N 1 0 380.304 1.602 20 0 GDADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000567708588 650916133 /nfs/dbraw/zinc/91/61/33/650916133.db2.gz SEXQPYSVVQFJRC-IRXDYDNUSA-N 1 0 389.949 1.494 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000567713099 650916232 /nfs/dbraw/zinc/91/62/32/650916232.db2.gz GXUPZHQEADPCIM-UHFFFAOYSA-N 1 0 384.933 1.256 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000567737664 650918204 /nfs/dbraw/zinc/91/82/04/650918204.db2.gz VGELTUNTUSFOSL-ZJUUUORDSA-N 1 0 392.319 1.555 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000567845998 650923656 /nfs/dbraw/zinc/92/36/56/650923656.db2.gz QTOSISWBGKTLDB-GFCCVEGCSA-N 1 0 390.228 1.682 20 0 GDADRO COCCN1C(=O)C(=CNNc2[nH+]ccc3sccc32)C(=O)NC1=S ZINC000055181401 644469450 /nfs/dbraw/zinc/46/94/50/644469450.db2.gz FADSBNFLDKRBOB-CSKARUKUSA-N 1 0 377.451 1.827 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC1(CC)COC1 ZINC000567892291 650927447 /nfs/dbraw/zinc/92/74/47/650927447.db2.gz OHYGHOJHGNHVJI-UHFFFAOYSA-N 1 0 389.539 1.660 20 0 GDADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Br)C1 ZINC000122762934 644691220 /nfs/dbraw/zinc/69/12/20/644691220.db2.gz LLSKUUIOEUJLCJ-SNVBAGLBSA-N 1 0 377.260 1.218 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CCC[NH3+])c(Br)cc1Cl ZINC000124593745 644708431 /nfs/dbraw/zinc/70/84/31/644708431.db2.gz SPZRQPMVTWLQDQ-UHFFFAOYSA-N 1 0 399.694 1.858 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000141385600 644774012 /nfs/dbraw/zinc/77/40/12/644774012.db2.gz RAFPKFJONRMJFT-HUUCEWRRSA-N 1 0 375.535 1.647 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3Br)CCN2C1=O ZINC000568287579 650950978 /nfs/dbraw/zinc/95/09/78/650950978.db2.gz DCGRBWQBPOKESE-HQRZJTNHSA-N 1 0 393.285 1.258 20 0 GDADRO C[C@@H](C(=O)NC1CC1)N1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000152715425 644790333 /nfs/dbraw/zinc/79/03/33/644790333.db2.gz MUBYCEODNRFIHU-GUYCJALGSA-N 1 0 396.329 1.767 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000568288465 650951007 /nfs/dbraw/zinc/95/10/07/650951007.db2.gz VIVCAAQBOBJSKR-BXKDBHETSA-N 1 0 380.388 1.992 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000568331491 650952807 /nfs/dbraw/zinc/95/28/07/650952807.db2.gz CNKKAPYHVKBPSG-CQSZACIVSA-N 1 0 380.869 1.954 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N(C)C1CC[NH2+]CC1 ZINC000568372728 650955091 /nfs/dbraw/zinc/95/50/91/650955091.db2.gz MXDBTIPXVFXRTI-UHFFFAOYSA-N 1 0 388.921 1.320 20 0 GDADRO CO[C@H]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000568383161 650955442 /nfs/dbraw/zinc/95/54/42/650955442.db2.gz LJUDWZBRRQXDFL-CABCVRRESA-N 1 0 398.301 1.534 20 0 GDADRO CN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)c1ccc(Br)cc1F ZINC000164657377 644863281 /nfs/dbraw/zinc/86/32/81/644863281.db2.gz KRFMIYFZOZJARE-UHFFFAOYSA-N 1 0 399.264 1.998 20 0 GDADRO S=c1sc(N2CCOCC2)nn1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172935019 644885529 /nfs/dbraw/zinc/88/55/29/644885529.db2.gz LLHADGHOFDIWLV-CQSZACIVSA-N 1 0 385.559 1.122 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000173049977 644887495 /nfs/dbraw/zinc/88/74/95/644887495.db2.gz YQTKOEWVLUFCQU-LLVKDONJSA-N 1 0 375.922 1.954 20 0 GDADRO O=C(NCC[NH+]1CCCCC1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000176143419 644909803 /nfs/dbraw/zinc/90/98/03/644909803.db2.gz KICOLOIUYQUFQC-UHFFFAOYSA-N 1 0 386.440 1.086 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)c1F ZINC000177696114 644919744 /nfs/dbraw/zinc/91/97/44/644919744.db2.gz DVSWULVOSFYGMM-UHFFFAOYSA-N 1 0 376.425 1.906 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)c1 ZINC000178945823 644929727 /nfs/dbraw/zinc/92/97/27/644929727.db2.gz ANXUDPUCOFNYDD-JTQLQIEISA-N 1 0 377.260 1.218 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000568626857 650964752 /nfs/dbraw/zinc/96/47/52/650964752.db2.gz PRLNKCMZQFDNKG-SNVBAGLBSA-N 1 0 382.258 1.981 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000183705366 644971676 /nfs/dbraw/zinc/97/16/76/644971676.db2.gz HBOQDCKDVROYGP-UHFFFAOYSA-N 1 0 376.320 1.443 20 0 GDADRO [NH3+]CC1(CC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CCCCC1 ZINC000184195636 644975254 /nfs/dbraw/zinc/97/52/54/644975254.db2.gz JEKMYXUKECXPEH-UHFFFAOYSA-N 1 0 381.489 1.666 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1Br ZINC000193252474 645047370 /nfs/dbraw/zinc/04/73/70/645047370.db2.gz OUEGYSBFOCHZCM-JTQLQIEISA-N 1 0 376.276 1.377 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccc(I)c1 ZINC000193448055 645051499 /nfs/dbraw/zinc/05/14/99/645051499.db2.gz 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1.577 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000420193894 645939184 /nfs/dbraw/zinc/93/91/84/645939184.db2.gz RZBPFMTYKMPVQE-BXUZGUMPSA-N 1 0 396.285 1.414 20 0 GDADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420197271 645939207 /nfs/dbraw/zinc/93/92/07/645939207.db2.gz VFLUYSXEKDITJE-CYBMUJFWSA-N 1 0 388.295 1.837 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CC[NH2+][C@@H](C)C1 ZINC000420332204 645940422 /nfs/dbraw/zinc/94/04/22/645940422.db2.gz GGYQPNBEVUSMKN-RYUDHWBXSA-N 1 0 388.921 1.211 20 0 GDADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351558 645941458 /nfs/dbraw/zinc/94/14/58/645941458.db2.gz XHDNOPQWIOTUCE-CJNGLKHVSA-N 1 0 381.318 1.756 20 0 GDADRO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)[C@@H]1C ZINC000420927411 645975474 /nfs/dbraw/zinc/97/54/74/645975474.db2.gz OHJRCXACMRETOD-GJZGRUSLSA-N 1 0 378.535 1.385 20 0 GDADRO COCCCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421024792 645979108 /nfs/dbraw/zinc/97/91/08/645979108.db2.gz QJENMTDZBMCWPC-GJZGRUSLSA-N 1 0 378.535 1.242 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000422208804 646049752 /nfs/dbraw/zinc/04/97/52/646049752.db2.gz SYZULTLXFGUHAZ-CQSZACIVSA-N 1 0 386.265 1.757 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1ccc(Br)cn1 ZINC000422382279 646062599 /nfs/dbraw/zinc/06/25/99/646062599.db2.gz RULRGCGJWZBYIU-WCQYABFASA-N 1 0 383.290 1.574 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000422382435 646062676 /nfs/dbraw/zinc/06/26/76/646062676.db2.gz SFGDCFVUJOHGPS-GXTWGEPZSA-N 1 0 397.317 1.962 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1ccc(Br)cn1 ZINC000422382278 646062799 /nfs/dbraw/zinc/06/27/99/646062799.db2.gz RULRGCGJWZBYIU-DGCLKSJQSA-N 1 0 383.290 1.574 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422422071 646067106 /nfs/dbraw/zinc/06/71/06/646067106.db2.gz FYPZCVALPHDSNX-BLLLJJGKSA-N 1 0 394.313 1.707 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000422430897 646068107 /nfs/dbraw/zinc/06/81/07/646068107.db2.gz KBFDGUWDTYLGSZ-RUZDIDTESA-N 1 0 385.555 1.056 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422554440 646078098 /nfs/dbraw/zinc/07/80/98/646078098.db2.gz MMOAAFULVCBSFV-XQQFMLRXSA-N 1 0 390.527 1.093 20 0 GDADRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C[C@@H]1C[NH3+] ZINC000422637052 646086266 /nfs/dbraw/zinc/08/62/66/646086266.db2.gz OAYOVCYVCAGYMW-UTUOFQBUSA-N 1 0 388.921 1.231 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)s1 ZINC000422936855 646101373 /nfs/dbraw/zinc/10/13/73/646101373.db2.gz NBYGZLNZVOHTQY-RDJZCZTQSA-N 1 0 387.571 1.635 20 0 GDADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000422952851 646102750 /nfs/dbraw/zinc/10/27/50/646102750.db2.gz CIRLVNCYMNZKOW-BBRMVZONSA-N 1 0 398.301 1.969 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422973901 646104492 /nfs/dbraw/zinc/10/44/92/646104492.db2.gz PVZOJYAFZYOOJP-HNNXBMFYSA-N 1 0 382.302 1.708 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000423008336 646108949 /nfs/dbraw/zinc/10/89/49/646108949.db2.gz ZYEFHWBQBKTWBC-LBPRGKRZSA-N 1 0 384.274 1.107 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC[C@@H]1[NH3+] ZINC000423022106 646109485 /nfs/dbraw/zinc/10/94/85/646109485.db2.gz HDTDBHQGKJDONE-OCCSQVGLSA-N 1 0 384.933 1.241 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N(Cc2cc(Br)ccc2F)C2CC2)C1 ZINC000423069337 646110899 /nfs/dbraw/zinc/11/08/99/646110899.db2.gz DSPSLRILKUNKLR-NSHDSACASA-N 1 0 398.276 1.886 20 0 GDADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(I)c(C)c1 ZINC000423094901 646112061 /nfs/dbraw/zinc/11/20/61/646112061.db2.gz KXTDMPNKIATFGH-KGLIPLIRSA-N 1 0 388.249 1.983 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(I)c(C)c1 ZINC000423094903 646112211 /nfs/dbraw/zinc/11/22/11/646112211.db2.gz KXTDMPNKIATFGH-ZIAGYGMSSA-N 1 0 388.249 1.983 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2c(Br)cccc2C1 ZINC000423231814 646119066 /nfs/dbraw/zinc/11/90/66/646119066.db2.gz MBIVRVRKKINSLU-OCCSQVGLSA-N 1 0 392.297 1.402 20 0 GDADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCc2c(Br)cccc2C1 ZINC000423231764 646119361 /nfs/dbraw/zinc/11/93/61/646119361.db2.gz LQZRBQIBJLRKRQ-CZUORRHYSA-N 1 0 392.297 1.544 20 0 GDADRO O=C(C(=O)N1CCc2c(Br)cccc2C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423233477 646120086 /nfs/dbraw/zinc/12/00/86/646120086.db2.gz OLTIZFQDUUWCSA-OCCSQVGLSA-N 1 0 392.297 1.402 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423455384 646125962 /nfs/dbraw/zinc/12/59/62/646125962.db2.gz MENQTEVBQNYJES-LSDHHAIUSA-N 1 0 394.313 1.784 20 0 GDADRO O=C(C(=O)N1CCC(Oc2cccc(Br)c2)CC1)N1CC[NH2+]CC1 ZINC000423526920 646127326 /nfs/dbraw/zinc/12/73/26/646127326.db2.gz LWXHICSVPKMTQL-UHFFFAOYSA-N 1 0 396.285 1.251 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000423545505 646128912 /nfs/dbraw/zinc/12/89/12/646128912.db2.gz CSOLIDUITVMRQZ-UHFFFAOYSA-N 1 0 376.682 1.739 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423540210 646128965 /nfs/dbraw/zinc/12/89/65/646128965.db2.gz QBSLODNNZDWJBJ-DGCLKSJQSA-N 1 0 386.279 1.923 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000423535699 646129059 /nfs/dbraw/zinc/12/90/59/646129059.db2.gz YBNJCLPXHYNBOX-DGCLKSJQSA-N 1 0 386.279 1.793 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Br)C[C@H](C)[NH2+]1 ZINC000423565992 646130894 /nfs/dbraw/zinc/13/08/94/646130894.db2.gz BQZHXMUDHXLGEN-QWRGUYRKSA-N 1 0 386.265 1.755 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000423577167 646132058 /nfs/dbraw/zinc/13/20/58/646132058.db2.gz GFXXHYRBSORWCH-JSGCOSHPSA-N 1 0 396.285 1.551 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000423591492 646134543 /nfs/dbraw/zinc/13/45/43/646134543.db2.gz KGEVPIOMZXQTSK-HNNXBMFYSA-N 1 0 395.301 1.718 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423653431 646139201 /nfs/dbraw/zinc/13/92/01/646139201.db2.gz YXMXGEDPHHIMKX-JBLDHEPKSA-N 1 0 379.404 1.320 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423979150 646148382 /nfs/dbraw/zinc/14/83/82/646148382.db2.gz OIAKDPGAWIHTQP-MJVIPROJSA-N 1 0 389.315 1.807 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C[C@@]1(C)C[NH3+] ZINC000423987881 646149732 /nfs/dbraw/zinc/14/97/32/646149732.db2.gz WPFOZBDTVOROCO-CKEIUWERSA-N 1 0 385.555 1.735 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423989031 646149762 /nfs/dbraw/zinc/14/97/62/646149762.db2.gz BBPXNPQWBIHAOE-UKRRQHHQSA-N 1 0 379.507 1.588 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)c1ncc(Br)cc1Br ZINC000423994152 646150434 /nfs/dbraw/zinc/15/04/34/646150434.db2.gz IGHVNENIZCJUNF-MRVPVSSYSA-N 1 0 379.052 1.325 20 0 GDADRO COc1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)c(I)c1 ZINC000423994760 646151322 /nfs/dbraw/zinc/15/13/22/646151322.db2.gz TTWLPZFHYZOXJR-SNVBAGLBSA-N 1 0 376.194 1.018 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)Cc3ccc(Br)cc3)C2)nn1 ZINC000424000657 646151852 /nfs/dbraw/zinc/15/18/52/646151852.db2.gz MFZPEVPKWXFYJV-OAHLLOKOSA-N 1 0 378.274 1.906 20 0 GDADRO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N(C)CC[NH3+] ZINC000424000745 646151943 /nfs/dbraw/zinc/15/19/43/646151943.db2.gz FYIOCEGHDGMRBU-ZDUSSCGKSA-N 1 0 388.331 1.718 20 0 GDADRO CN(CC[NH3+])C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000424013562 646152787 /nfs/dbraw/zinc/15/27/87/646152787.db2.gz XIXQQVPUOOITJL-UHFFFAOYSA-N 1 0 394.324 1.811 20 0 GDADRO C[NH2+]CCCN(C)C(=O)c1cc(OC)c(OC)cc1I ZINC000424031953 646155071 /nfs/dbraw/zinc/15/50/71/646155071.db2.gz JSZFQVXWXXHARS-UHFFFAOYSA-N 1 0 392.237 1.990 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)s1 ZINC000424075393 646160378 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CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000440443289 646243479 /nfs/dbraw/zinc/24/34/79/646243479.db2.gz QTTWHZZSIXLWEC-NSHDSACASA-N 1 0 390.303 1.595 20 0 GDADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000440446809 646244178 /nfs/dbraw/zinc/24/41/78/646244178.db2.gz NEGPLMMPEPTAHV-QMMMGPOBSA-N 1 0 391.291 1.827 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000440445813 646244217 /nfs/dbraw/zinc/24/42/17/646244217.db2.gz SCBXGDVDYHWGKY-UHFFFAOYSA-N 1 0 390.889 1.645 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)NCC(C)(C)[NH3+] ZINC000440730985 646253294 /nfs/dbraw/zinc/25/32/94/646253294.db2.gz GATDMVDAXJDYQJ-UHFFFAOYSA-N 1 0 395.319 1.880 20 0 GDADRO COC(=O)c1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c[nH]1 ZINC000441361140 646255470 /nfs/dbraw/zinc/25/54/70/646255470.db2.gz UUZKTFFOEYUAHL-UHFFFAOYSA-N 1 0 389.836 1.662 20 0 GDADRO COc1ncc(S(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000917237860 660208935 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COc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c(Br)c1 ZINC000471227512 647742808 /nfs/dbraw/zinc/74/28/08/647742808.db2.gz QWFHKHNTKMEZJC-UHFFFAOYSA-N 1 0 382.258 1.703 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)NCCOCC[NH+](C)C)c1 ZINC000471640797 647749807 /nfs/dbraw/zinc/74/98/07/647749807.db2.gz AUAKABAUMRTJTK-UHFFFAOYSA-N 1 0 381.292 1.314 20 0 GDADRO C[C@H]1[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC000921600052 660312904 /nfs/dbraw/zinc/31/29/04/660312904.db2.gz IQUQLAVPUXXRNG-UWVGGRQHSA-N 1 0 380.923 1.072 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl)C[NH+](C)C ZINC000921632203 660316944 /nfs/dbraw/zinc/31/69/44/660316944.db2.gz AXRQPYHJZVRUMC-GFCCVEGCSA-N 1 0 378.878 1.372 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C[NH+](C)C ZINC000921634785 660317334 /nfs/dbraw/zinc/31/73/34/660317334.db2.gz KCCRGBCDTRMAQJ-LLVKDONJSA-N 1 0 395.884 1.683 20 0 GDADRO CCN(CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C)S(C)(=O)=O ZINC000479330077 647828601 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GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000581131861 651960652 /nfs/dbraw/zinc/96/06/52/651960652.db2.gz YPBIPFVMCCZGBM-XKQJLSEDSA-N 1 0 386.539 1.618 20 0 GDADRO C[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)C(=O)NCC[NH+](C)C ZINC000581139950 651961084 /nfs/dbraw/zinc/96/10/84/651961084.db2.gz HEJDFNYNJQRXBW-SNVBAGLBSA-N 1 0 383.905 1.598 20 0 GDADRO CC[NH2+]CCCNC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000581180840 651963814 /nfs/dbraw/zinc/96/38/14/651963814.db2.gz PBHKBFCOFHNVRC-UHFFFAOYSA-N 1 0 381.420 1.908 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)C[C@H]21 ZINC000581193024 651964552 /nfs/dbraw/zinc/96/45/52/651964552.db2.gz DZRQOMSESRQXFN-GZBFAFLISA-N 1 0 385.917 1.594 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000581271124 651968818 /nfs/dbraw/zinc/96/88/18/651968818.db2.gz DIFMMEWVLLSNIN-AWEZNQCLSA-N 1 0 391.331 1.846 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCOc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000581300481 651970364 /nfs/dbraw/zinc/97/03/64/651970364.db2.gz DILHOHJWPLRZAI-NWDGAFQWSA-N 1 0 388.295 1.993 20 0 GDADRO CCOC(=O)CC[C@H](O)C[NH2+]CC(=O)Nc1cc(Br)ccc1C ZINC000581365290 651974225 /nfs/dbraw/zinc/97/42/25/651974225.db2.gz LRQBNTJISSGVAE-ZDUSSCGKSA-N 1 0 387.274 1.990 20 0 GDADRO O=C(COc1ccc(Br)cc1Cl)NCC(=O)N1CC[NH2+]CC1 ZINC000582295815 651986473 /nfs/dbraw/zinc/98/64/73/651986473.db2.gz IJYKNFMOUMTULX-UHFFFAOYSA-N 1 0 390.665 1.029 20 0 GDADRO C[C@H](c1ncc(Br)cn1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582301958 651987374 /nfs/dbraw/zinc/98/73/74/651987374.db2.gz KNSZZLMFNJRZAF-CHWSQXEVSA-N 1 0 382.306 1.444 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000582536474 652003292 /nfs/dbraw/zinc/00/32/92/652003292.db2.gz QAYBQGUYUZQTGX-TUKIKUTGSA-N 1 0 380.286 1.537 20 0 GDADRO O=S1(=O)CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000582960441 652021992 /nfs/dbraw/zinc/02/19/92/652021992.db2.gz SIENRYRACJPGMC-STQMWFEESA-N 1 0 381.416 1.860 20 0 GDADRO Cc1ccc(Cl)c(S(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000583180672 652028656 /nfs/dbraw/zinc/02/86/56/652028656.db2.gz MVZMNAADXUARPM-UHFFFAOYSA-N 1 0 387.933 1.919 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000584115097 652055067 /nfs/dbraw/zinc/05/50/67/652055067.db2.gz XOJMOYGCVZJADS-JQWIXIFHSA-N 1 0 379.404 1.240 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(CCOc3ccc(Cl)cc3Br)CCN2C1=O ZINC000584243365 652064116 /nfs/dbraw/zinc/06/41/16/652064116.db2.gz YAURWCBSOJXOQM-DGCLKSJQSA-N 1 0 388.693 1.725 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000584443357 652070471 /nfs/dbraw/zinc/07/04/71/652070471.db2.gz PWLHGJLPOWDWLV-CYBMUJFWSA-N 1 0 390.575 1.754 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)OC)[C@@H](C)C1 ZINC000588890880 652104549 /nfs/dbraw/zinc/10/45/49/652104549.db2.gz GGHPRCJJCYUFPH-LSDHHAIUSA-N 1 0 378.535 1.242 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000590371891 652129535 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652350355 /nfs/dbraw/zinc/35/03/55/652350355.db2.gz QKFXEXBOTWQWTC-YGRLFVJLSA-N 1 0 379.233 1.885 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)s1 ZINC000594788936 652363823 /nfs/dbraw/zinc/36/38/23/652363823.db2.gz IDYJNHPCRVLSAO-NSHDSACASA-N 1 0 390.527 1.942 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)COc3cc(Cl)c(Cl)cc3Cl)CCN2C1=O ZINC000594874282 652384651 /nfs/dbraw/zinc/38/46/51/652384651.db2.gz UYSMOCIJZJRKAB-PRHODGIISA-N 1 0 392.670 1.796 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCc3ccc(Br)cc3F)CCN2C1=O ZINC000594878680 652384989 /nfs/dbraw/zinc/38/49/89/652384989.db2.gz CDLAAWFOQSATII-TZMCWYRMSA-N 1 0 384.249 1.291 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3c[nH]c4ccc(Br)cc34)CCN2C1=O ZINC000594878081 652385007 /nfs/dbraw/zinc/38/50/07/652385007.db2.gz CPXGPBWIPUXCFB-ZWNOBZJWSA-N 1 0 377.242 1.314 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595037785 652389217 /nfs/dbraw/zinc/38/92/17/652389217.db2.gz IJWSELWYUSNIKE-CYBMUJFWSA-N 1 0 394.278 1.760 20 0 GDADRO CC[NH2+]CCCNS(=O)(=O)c1cc(Br)ccc1C(=O)OC ZINC000595104589 652391786 /nfs/dbraw/zinc/39/17/86/652391786.db2.gz LLAHNONFYXXCCH-UHFFFAOYSA-N 1 0 379.276 1.514 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000595107044 652392540 /nfs/dbraw/zinc/39/25/40/652392540.db2.gz CPDBUPXMQUVLLS-MWLCHTKSSA-N 1 0 391.287 1.655 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)c(Br)c1 ZINC000595117966 652394003 /nfs/dbraw/zinc/39/40/03/652394003.db2.gz JFDLQGYYOVDEGN-UHFFFAOYSA-N 1 0 389.271 1.348 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCCc3cccc(Br)c3)CCN2C1=O ZINC000595265367 652401012 /nfs/dbraw/zinc/40/10/12/652401012.db2.gz IQBWPBXHYLJCIX-HUUCEWRRSA-N 1 0 395.301 1.335 20 0 GDADRO Cc1cc(Br)c(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000595270808 652401229 /nfs/dbraw/zinc/40/12/29/652401229.db2.gz UKYMWJKNQFXBCN-ONGXEEELSA-N 1 0 387.303 1.272 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCCc3c(Cl)cccc3Cl)CCN2C1=O ZINC000595271954 652401264 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CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Br)c[nH]c3=O)C2)CC1 ZINC000598690008 652472685 /nfs/dbraw/zinc/47/26/85/652472685.db2.gz MXBRMMXBGNJLHU-AWEZNQCLSA-N 1 0 397.317 1.790 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)C1 ZINC000599254831 652481012 /nfs/dbraw/zinc/48/10/12/652481012.db2.gz WGFBWGIFJUVULY-GFCCVEGCSA-N 1 0 376.425 1.856 20 0 GDADRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000599569612 652508699 /nfs/dbraw/zinc/50/86/99/652508699.db2.gz YCDFJNODYXIQRB-BLLLJJGKSA-N 1 0 378.252 1.997 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000599888202 652516770 /nfs/dbraw/zinc/51/67/70/652516770.db2.gz SSEPKKBIJQRUEI-UHFFFAOYSA-N 1 0 397.163 1.315 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000599941860 652519434 /nfs/dbraw/zinc/51/94/34/652519434.db2.gz ZFHRESFUBPRQSK-HUUCEWRRSA-N 1 0 397.269 1.517 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Cc2cccc(C)c2Br)CC[N@H+](C)C1 ZINC000600010772 652521035 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C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)Oc1cccc(Br)c1 ZINC000642777836 653579210 /nfs/dbraw/zinc/57/92/10/653579210.db2.gz LSTMASGBYNDIJJ-NSHDSACASA-N 1 0 384.274 1.201 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000642780786 653579240 /nfs/dbraw/zinc/57/92/40/653579240.db2.gz OKPXOJNKNIQCCS-YUMQZZPRSA-N 1 0 377.329 1.866 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000642780774 653579279 /nfs/dbraw/zinc/57/92/79/653579279.db2.gz NOKLOYOUMWJOPP-VGMNWLOBSA-N 1 0 377.329 1.866 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000642883557 653579576 /nfs/dbraw/zinc/57/95/76/653579576.db2.gz ZKDOAABRBRXBBO-UHFFFAOYSA-N 1 0 396.329 1.959 20 0 GDADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000642900175 653579586 /nfs/dbraw/zinc/57/95/86/653579586.db2.gz ARJRZDGQQHRGJN-XYPWUTKMSA-N 1 0 392.297 1.733 20 0 GDADRO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000643521862 653583331 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[NH3+]C[C@H]1OCC[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000662751547 654301369 /nfs/dbraw/zinc/30/13/69/654301369.db2.gz KESOPSLEPZMKMW-IAGOWNOFSA-N 1 0 396.329 1.894 20 0 GDADRO CCO[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@H]1C[NH3+] ZINC000662829658 654304341 /nfs/dbraw/zinc/30/43/41/654304341.db2.gz OVDVSVZRYXYZND-MIGQKNRLSA-N 1 0 398.301 1.744 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@]2(C)CC2(C)C)c(C)c[nH+]1 ZINC000662851610 654310435 /nfs/dbraw/zinc/31/04/35/654310435.db2.gz YIOCORWWFFKIPU-MRXNPFEDSA-N 1 0 389.543 1.360 20 0 GDADRO C[C@]1(NS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC[NH2+]C1 ZINC000663312347 654332897 /nfs/dbraw/zinc/33/28/97/654332897.db2.gz BRHXPWIMDLWLJX-AWEZNQCLSA-N 1 0 388.287 1.364 20 0 GDADRO COc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(Br)cn1 ZINC000663537495 654340772 /nfs/dbraw/zinc/34/07/72/654340772.db2.gz CXWWZRYVFPOSPR-UHFFFAOYSA-N 1 0 383.290 1.597 20 0 GDADRO Cc1ccsc1-c1nsc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)n1 ZINC000663882172 654359008 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Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000667404566 654449366 /nfs/dbraw/zinc/44/93/66/654449366.db2.gz RCKWMFCJBQSLCF-NOZJJQNGSA-N 1 0 388.237 1.410 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(F)cc(F)c3Br)C[C@H]12 ZINC000667473083 654451476 /nfs/dbraw/zinc/45/14/76/654451476.db2.gz NEKPRDSQIFNQAG-OVYXKVPISA-N 1 0 388.212 1.862 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000769229581 654452337 /nfs/dbraw/zinc/45/23/37/654452337.db2.gz OCWJERHTKWQEDZ-CABCVRRESA-N 1 0 386.949 1.875 20 0 GDADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC[NH2+]1 ZINC000667517587 654453710 /nfs/dbraw/zinc/45/37/10/654453710.db2.gz VSNZCKLUUCWSCK-CQSZACIVSA-N 1 0 380.286 1.795 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(Br)c1 ZINC000667535570 654454202 /nfs/dbraw/zinc/45/42/02/654454202.db2.gz MOYRUIMBNXDZQE-IINYFYTJSA-N 1 0 382.258 1.607 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)CC[C@H]1[NH3+] ZINC000667548921 654454947 /nfs/dbraw/zinc/45/49/47/654454947.db2.gz XOBCXCWNEFVKRJ-ZWNOBZJWSA-N 1 0 384.274 1.982 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)cc(C)c1Br ZINC000667715045 654460425 /nfs/dbraw/zinc/46/04/25/654460425.db2.gz HLMXMTHVQIKMJR-UHFFFAOYSA-N 1 0 382.258 1.205 20 0 GDADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000667715049 654460514 /nfs/dbraw/zinc/46/05/14/654460514.db2.gz JNHAYQYFWYBCKH-UHFFFAOYSA-N 1 0 388.649 1.242 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000732203511 654463165 /nfs/dbraw/zinc/46/31/65/654463165.db2.gz BQZJJTUNRWVULA-WMLDXEAASA-N 1 0 377.551 1.989 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000769479600 654466542 /nfs/dbraw/zinc/46/65/42/654466542.db2.gz JNIXACDPJVWSEM-QLFBSQMISA-N 1 0 386.949 1.873 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000668435934 654482469 /nfs/dbraw/zinc/48/24/69/654482469.db2.gz SKDQPLBLRDWJPH-XHSDSOJGSA-N 1 0 398.301 1.759 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(C)CC1C[NH+](C)C1 ZINC000668538844 654484665 /nfs/dbraw/zinc/48/46/65/654484665.db2.gz HYYJVUSCFMEOFT-LBPRGKRZSA-N 1 0 384.318 1.956 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)s1 ZINC000668946318 654495292 /nfs/dbraw/zinc/49/52/92/654495292.db2.gz YELCVOXTLHNWKP-ZDUSSCGKSA-N 1 0 388.559 1.720 20 0 GDADRO CC(C)[C@H](C[NH+](C)C)NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000733165699 654501202 /nfs/dbraw/zinc/50/12/02/654501202.db2.gz DKSZTZGFECHJHF-ZDUSSCGKSA-N 1 0 398.301 1.877 20 0 GDADRO CC[C@H]1CN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000669401986 654503874 /nfs/dbraw/zinc/50/38/74/654503874.db2.gz NZBKCVLQTXYNSS-SWLSCSKDSA-N 1 0 397.317 1.948 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000770293028 654508082 /nfs/dbraw/zinc/50/80/82/654508082.db2.gz NLQLLYVLDHVMQD-NSHDSACASA-N 1 0 391.950 1.354 20 0 GDADRO CNS(=O)(=O)[C@H]1CC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000770386202 654510526 /nfs/dbraw/zinc/51/05/26/654510526.db2.gz LOFYWWULULKFIU-HNNXBMFYSA-N 1 0 375.535 1.647 20 0 GDADRO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000669798284 654510677 /nfs/dbraw/zinc/51/06/77/654510677.db2.gz FLTNHPMYRAZEEU-UHFFFAOYSA-N 1 0 395.305 1.874 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)NC1CC(NS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000670177810 654519898 /nfs/dbraw/zinc/51/98/98/654519898.db2.gz QBWQXKAOKCDTMC-NRXISQOPSA-N 1 0 388.921 1.322 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000771195369 654532299 /nfs/dbraw/zinc/53/22/99/654532299.db2.gz DJLZPTZXRJKZPU-GFCCVEGCSA-N 1 0 375.441 1.682 20 0 GDADRO COCC[C@](C)(O)C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000734846939 654541711 /nfs/dbraw/zinc/54/17/11/654541711.db2.gz WFMMPFJKVAJALN-DOMZBBRYSA-N 1 0 379.910 1.082 20 0 GDADRO O=C(NCc1cscn1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000671823405 654545162 /nfs/dbraw/zinc/54/51/62/654545162.db2.gz QMSCFGCPJLXMMQ-ZDUSSCGKSA-N 1 0 378.523 1.849 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(Br)cc1OC ZINC000672006314 654548642 /nfs/dbraw/zinc/54/86/42/654548642.db2.gz WODAQNCDANRALI-AWEZNQCLSA-N 1 0 398.301 1.674 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)s1 ZINC000772008523 654554125 /nfs/dbraw/zinc/55/41/25/654554125.db2.gz ZZMYXHCPNCWFDQ-CYBMUJFWSA-N 1 0 389.543 1.934 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672305196 654555602 /nfs/dbraw/zinc/55/56/02/654555602.db2.gz FZKQNXBCHAAHSI-LBPRGKRZSA-N 1 0 386.315 1.727 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cc(Br)ccc2C)C1 ZINC000672357540 654556519 /nfs/dbraw/zinc/55/65/19/654556519.db2.gz IQPFHBQULKQBGY-HNNXBMFYSA-N 1 0 398.301 1.211 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2sccc2S(=O)(=O)N(C)C)C1 ZINC000735890204 654575284 /nfs/dbraw/zinc/57/52/84/654575284.db2.gz FOBZIYOGQFTDLH-CYBMUJFWSA-N 1 0 390.527 1.512 20 0 GDADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673512974 654575725 /nfs/dbraw/zinc/57/57/25/654575725.db2.gz HKJIAXCRHHFAPR-STQMWFEESA-N 1 0 397.269 1.501 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673516558 654575767 /nfs/dbraw/zinc/57/57/67/654575767.db2.gz VQJWZQQFHOGROF-CABCVRRESA-N 1 0 383.286 1.668 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773104560 654581748 /nfs/dbraw/zinc/58/17/48/654581748.db2.gz DZDBGXXGYTUHSP-NEPJUHHUSA-N 1 0 386.499 1.547 20 0 GDADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000673869514 654584358 /nfs/dbraw/zinc/58/43/58/654584358.db2.gz VRVRQRKLTGWVEW-ZDUSSCGKSA-N 1 0 383.440 1.196 20 0 GDADRO C[C@@H](C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000674289251 654596369 /nfs/dbraw/zinc/59/63/69/654596369.db2.gz BOKNDOLUBDXKFC-ZDUSSCGKSA-N 1 0 398.301 1.449 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000774328345 654625339 /nfs/dbraw/zinc/62/53/39/654625339.db2.gz GZBCESZPKLQOBJ-UHFFFAOYSA-N 1 0 395.261 1.488 20 0 GDADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774663778 654634987 /nfs/dbraw/zinc/63/49/87/654634987.db2.gz ODTHGUOPGDPOOH-KGLIPLIRSA-N 1 0 386.279 1.589 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCN(C)S(=O)(=O)c2cccs2)C1 ZINC000676420708 654642480 /nfs/dbraw/zinc/64/24/80/654642480.db2.gz OGNPQVVBXBEVOT-CQSZACIVSA-N 1 0 388.559 1.398 20 0 GDADRO CC(C)Oc1nn(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c(=S)s1 ZINC000738160648 654649060 /nfs/dbraw/zinc/64/90/60/654649060.db2.gz LEVHTQYQMFHILZ-UHFFFAOYSA-N 1 0 385.559 1.659 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000738354994 654656434 /nfs/dbraw/zinc/65/64/34/654656434.db2.gz MPCRMJLGMWPNTJ-UHFFFAOYSA-N 1 0 381.329 1.694 20 0 GDADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000775163611 654657612 /nfs/dbraw/zinc/65/76/12/654657612.db2.gz MTXSTIUJEMBVAG-LBPRGKRZSA-N 1 0 378.300 1.058 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000775167409 654658172 /nfs/dbraw/zinc/65/81/72/654658172.db2.gz WIWNYKGZPVESJO-GFCCVEGCSA-N 1 0 380.316 1.256 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1)[NH+](C)C ZINC000677403856 654667425 /nfs/dbraw/zinc/66/74/25/654667425.db2.gz SWMGORLALVPPOY-LLVKDONJSA-N 1 0 394.273 1.640 20 0 GDADRO O=C1NC(=O)C2(CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)N1 ZINC000677699223 654673835 /nfs/dbraw/zinc/67/38/35/654673835.db2.gz KTUWHHUPECWKJX-JTQLQIEISA-N 1 0 388.251 1.407 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1F ZINC000678303100 654686931 /nfs/dbraw/zinc/68/69/31/654686931.db2.gz CGHUZJUENNOFEX-UHFFFAOYSA-N 1 0 395.522 1.550 20 0 GDADRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(-n2cncn2)cc1Cl ZINC000678581136 654691783 /nfs/dbraw/zinc/69/17/83/654691783.db2.gz STELWXQCQFXZRI-ZDUSSCGKSA-N 1 0 383.905 1.997 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000678674321 654693387 /nfs/dbraw/zinc/69/33/87/654693387.db2.gz XHIWMKGOVZSDSD-HOTGVXAUSA-N 1 0 375.535 1.096 20 0 GDADRO CC[NH+](CC)CCN(C(=O)/C=C\c1scnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000777276847 654715540 /nfs/dbraw/zinc/71/55/40/654715540.db2.gz FFJPMUBIFYJLSR-XHPSBEMXSA-N 1 0 385.555 1.822 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC000743978361 654721886 /nfs/dbraw/zinc/72/18/86/654721886.db2.gz HBASDKGNNSPIIZ-NSHDSACASA-N 1 0 384.274 1.997 20 0 GDADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000744798646 654736668 /nfs/dbraw/zinc/73/66/68/654736668.db2.gz MCSWEHSYBOWUAQ-SNVBAGLBSA-N 1 0 390.303 1.168 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cc3ccc(Br)cc3O)CC2)C1 ZINC000682030681 654745903 /nfs/dbraw/zinc/74/59/03/654745903.db2.gz NABHPYYAYKXYIK-MRXNPFEDSA-N 1 0 396.329 1.936 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000779477490 654762263 /nfs/dbraw/zinc/76/22/63/654762263.db2.gz FEFCCRRKUZUOFS-GJZGRUSLSA-N 1 0 375.535 1.647 20 0 GDADRO Cc1nc(CS(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000682837933 654762890 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CCC[NH2+]CCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000841194949 655313367 /nfs/dbraw/zinc/31/33/67/655313367.db2.gz ANDMQSATEBDEHL-UHFFFAOYSA-N 1 0 377.670 1.860 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841204236 655314052 /nfs/dbraw/zinc/31/40/52/655314052.db2.gz ZCRMZABILKCTND-UHFFFAOYSA-N 1 0 394.269 1.893 20 0 GDADRO Cc1c(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cnc(Cl)c1Br ZINC000841209527 655314148 /nfs/dbraw/zinc/31/41/48/655314148.db2.gz NASUTLOEHGWWNT-SFYZADRCSA-N 1 0 389.681 1.953 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(Br)n1 ZINC000841241482 655316747 /nfs/dbraw/zinc/31/67/47/655316747.db2.gz OYVSLCNJSZQVEF-MRXNPFEDSA-N 1 0 381.274 1.693 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841256083 655317692 /nfs/dbraw/zinc/31/76/92/655317692.db2.gz RRMRPAHIUPDYLR-WDSKDSINSA-N 1 0 383.168 1.653 20 0 GDADRO [NH3+]CC[C@H](NC(=O)N1CCC(Oc2cncc(Cl)n2)CC1)C(F)(F)F ZINC000841333794 655319205 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GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000817994367 655363944 /nfs/dbraw/zinc/36/39/44/655363944.db2.gz RDHOOHLYHZAIFR-NJZAAPMLSA-N 1 0 398.301 1.137 20 0 GDADRO O=C(N1CCn2c(Br)cnc2C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000817999614 655363994 /nfs/dbraw/zinc/36/39/94/655363994.db2.gz VGIOAROEMDHQIN-QGZVFWFLSA-N 1 0 375.270 1.919 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000817996248 655364037 /nfs/dbraw/zinc/36/40/37/655364037.db2.gz YAVFZTCITCJUNH-CQSZACIVSA-N 1 0 386.290 1.009 20 0 GDADRO C[C@@H](CC(=O)N[C@H](C[NH3+])C(C)(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000818006881 655364290 /nfs/dbraw/zinc/36/42/90/655364290.db2.gz PJSYKKCVMAQDNG-CMPLNLGQSA-N 1 0 376.910 1.282 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000818007069 655364373 /nfs/dbraw/zinc/36/43/73/655364373.db2.gz XXOCTINEZXKVHG-MRVPVSSYSA-N 1 0 384.321 1.261 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@@]1(C)C[NH3+] ZINC000818008743 655364514 /nfs/dbraw/zinc/36/45/14/655364514.db2.gz XXBVLPHUQTVNHA-MEBBXXQBSA-N 1 0 389.315 1.910 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000818017945 655364789 /nfs/dbraw/zinc/36/47/89/655364789.db2.gz DHIMXHGJJGMJBR-OAHLLOKOSA-N 1 0 387.299 1.821 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000842476941 655366629 /nfs/dbraw/zinc/36/66/29/655366629.db2.gz XRPHYVVDTWNFTE-CYBMUJFWSA-N 1 0 375.441 1.599 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000842480736 655366889 /nfs/dbraw/zinc/36/68/89/655366889.db2.gz BFXCFVHVSXETQN-JTQLQIEISA-N 1 0 397.266 1.254 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)ccc1Br ZINC000842483221 655367574 /nfs/dbraw/zinc/36/75/74/655367574.db2.gz HBDXPSUXOYSDKL-LLVKDONJSA-N 1 0 385.230 1.913 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CCCO1 ZINC000842485617 655368177 /nfs/dbraw/zinc/36/81/77/655368177.db2.gz XEBOSFIRVGBFKR-VIFPVBQESA-N 1 0 384.683 1.236 20 0 GDADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1c(Cl)nc2ccc(Br)cn21 ZINC000842705379 655372396 /nfs/dbraw/zinc/37/23/96/655372396.db2.gz XZYWZXGTZYSNQW-VIFPVBQESA-N 1 0 393.694 1.781 20 0 GDADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842718587 655373273 /nfs/dbraw/zinc/37/32/73/655373273.db2.gz IQOQTEMZNXDFGX-ZETCQYMHSA-N 1 0 381.683 1.718 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000842744352 655374858 /nfs/dbraw/zinc/37/48/58/655374858.db2.gz RADBFQOKNOYYKZ-LKFCYVNXSA-N 1 0 391.287 1.388 20 0 GDADRO CC1(NC(=O)c2cc(S(C)(=O)=O)ccc2Br)CC[NH2+]CC1 ZINC000818583640 655376658 /nfs/dbraw/zinc/37/66/58/655376658.db2.gz HWGIMDNRWBKNTJ-UHFFFAOYSA-N 1 0 375.288 1.725 20 0 GDADRO C[C@]1(CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CCC[NH2+]C1 ZINC000818572634 655376669 /nfs/dbraw/zinc/37/66/69/655376669.db2.gz JQNZDAYXIHCPLE-KRWDZBQOSA-N 1 0 385.917 1.999 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)C[NH3+])c(F)cc1Br ZINC000842786856 655376889 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ZINC000818969876 655382334 /nfs/dbraw/zinc/38/23/34/655382334.db2.gz ARKDTSWRUZSIPS-OLZOCXBDSA-N 1 0 388.921 1.345 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000818982070 655382735 /nfs/dbraw/zinc/38/27/35/655382735.db2.gz DNUXSKYMAMMINH-UHFFFAOYSA-N 1 0 388.452 1.359 20 0 GDADRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000818980852 655382738 /nfs/dbraw/zinc/38/27/38/655382738.db2.gz JUDXULJXBLUXGV-CQSZACIVSA-N 1 0 376.519 1.305 20 0 GDADRO Cn1cnc(S(=O)(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1Cl ZINC000842892094 655383266 /nfs/dbraw/zinc/38/32/66/655383266.db2.gz YIIUGBXUNJYXKC-GXTWGEPZSA-N 1 0 386.880 1.884 20 0 GDADRO CCNS(=O)(=O)CC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000819042303 655383688 /nfs/dbraw/zinc/38/36/88/655383688.db2.gz GVBDAQZZZPQPPA-UHFFFAOYSA-N 1 0 378.292 1.307 20 0 GDADRO CC(C)(C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)NS(C)(=O)=O ZINC000819045905 655383837 /nfs/dbraw/zinc/38/38/37/655383837.db2.gz KLEQXPMVMSTMHS-GFCCVEGCSA-N 1 0 383.283 1.539 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cccc(Cl)c1)NC[C@@H]1CCCCO1 ZINC000819055676 655384246 /nfs/dbraw/zinc/38/42/46/655384246.db2.gz UYVZKJXQNKMLRP-HOTGVXAUSA-N 1 0 376.906 1.452 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819065341 655384544 /nfs/dbraw/zinc/38/45/44/655384544.db2.gz NDWQICCWMSQOBF-RHSMWYFYSA-N 1 0 378.535 1.551 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000819094509 655385502 /nfs/dbraw/zinc/38/55/02/655385502.db2.gz LXQIOPMSMKSKCU-VNQPRFMTSA-N 1 0 375.512 1.069 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000819094506 655385598 /nfs/dbraw/zinc/38/55/98/655385598.db2.gz LXQIOPMSMKSKCU-CWRNSKLLSA-N 1 0 375.512 1.069 20 0 GDADRO C[C@@](O)(CNC[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000843061805 655387591 /nfs/dbraw/zinc/38/75/91/655387591.db2.gz IKOZXUUMWHSHKX-CZUORRHYSA-N 1 0 375.282 1.842 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000843086223 655388184 /nfs/dbraw/zinc/38/81/84/655388184.db2.gz HTBMCDMUSFGGOG-ZDUSSCGKSA-N 1 0 379.425 1.344 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000819216797 655388217 /nfs/dbraw/zinc/38/82/17/655388217.db2.gz KULSSDKAQXSYOW-UHFFFAOYSA-N 1 0 381.416 1.993 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CCc1ccc(F)c(F)c1F ZINC000819223995 655388359 /nfs/dbraw/zinc/38/83/59/655388359.db2.gz SKEAGGULLMNPKQ-UHFFFAOYSA-N 1 0 381.416 1.993 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+]CCC(=O)N(C)OC)cc1Br ZINC000843116752 655388776 /nfs/dbraw/zinc/38/87/76/655388776.db2.gz MAYUNKLPAMYUQB-ZDUSSCGKSA-N 1 0 389.290 1.608 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1Br ZINC000819289941 655389237 /nfs/dbraw/zinc/38/92/37/655389237.db2.gz SLZPDSTUUXAYBM-CQDKDKBSSA-N 1 0 391.331 1.790 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccc(F)cn1)c1ccc(Cl)cc1F ZINC000819286078 655389271 /nfs/dbraw/zinc/38/92/71/655389271.db2.gz FFAGZENSCHDDDT-CQSZACIVSA-N 1 0 391.827 1.615 20 0 GDADRO O=S(=O)(NCCC[NH2+]C[C@H](O)c1ccc(F)cn1)c1ccccc1Cl ZINC000819284841 655389280 /nfs/dbraw/zinc/38/92/80/655389280.db2.gz VBTXATOOOIRXIY-HNNXBMFYSA-N 1 0 387.864 1.866 20 0 GDADRO CN(Cc1noc(C[C@@H]2CSCC[NH2+]2)n1)S(=O)(=O)c1ccc(F)cc1 ZINC000843230572 655390061 /nfs/dbraw/zinc/39/00/61/655390061.db2.gz MLSSIQVEEWTHGS-GFCCVEGCSA-N 1 0 386.474 1.277 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000819348995 655390382 /nfs/dbraw/zinc/39/03/82/655390382.db2.gz RIKWKXDMVNDKHT-KRWDZBQOSA-N 1 0 383.491 1.317 20 0 GDADRO O=C(CC[NH2+]CCS(=O)(=O)C1CCOCC1)Nc1cc(F)cc(F)c1 ZINC000819348420 655390417 /nfs/dbraw/zinc/39/04/17/655390417.db2.gz FFWDDFJMRUSSMV-UHFFFAOYSA-N 1 0 376.425 1.477 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C[NH3+])C2)ccc1Cl ZINC000843320673 655392476 /nfs/dbraw/zinc/39/24/76/655392476.db2.gz QBDAJYMPKGGSIA-LLVKDONJSA-N 1 0 375.878 1.333 20 0 GDADRO Cc1ccc(/C=C\C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000843316582 655392498 /nfs/dbraw/zinc/39/24/98/655392498.db2.gz VPDWESZSAPPRCX-WAYWQWQTSA-N 1 0 380.286 1.661 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843322324 655392651 /nfs/dbraw/zinc/39/26/51/655392651.db2.gz VPTPHYCZPLAVTR-GFCCVEGCSA-N 1 0 380.495 1.252 20 0 GDADRO [NH3+]CCc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000843326811 655392657 /nfs/dbraw/zinc/39/26/57/655392657.db2.gz VQIGXZLQIAJVGQ-UHFFFAOYSA-N 1 0 387.914 1.497 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843354399 655393523 /nfs/dbraw/zinc/39/35/23/655393523.db2.gz DSOMNCXLRKWFPT-GFCCVEGCSA-N 1 0 380.495 1.122 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843358051 655393813 /nfs/dbraw/zinc/39/38/13/655393813.db2.gz YGTMFSYWNCFEPM-VXGBXAGGSA-N 1 0 376.910 1.426 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC000843399174 655394247 /nfs/dbraw/zinc/39/42/47/655394247.db2.gz OBASDUWRZVTOFG-KGLIPLIRSA-N 1 0 377.551 1.939 20 0 GDADRO C[C@H](CC(=O)Nc1ccc(C[NH3+])cc1)NS(=O)(=O)c1cccnc1Cl ZINC000843461963 655395524 /nfs/dbraw/zinc/39/55/24/655395524.db2.gz WCMORHBTDQGFLY-LLVKDONJSA-N 1 0 382.873 1.889 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000843483247 655396628 /nfs/dbraw/zinc/39/66/28/655396628.db2.gz HBODWZKOHCYBFM-CYBMUJFWSA-N 1 0 381.420 1.567 20 0 GDADRO CN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)[C@@H](C[NH3+])C1CC1 ZINC000843498598 655397000 /nfs/dbraw/zinc/39/70/00/655397000.db2.gz QZHSZAIUKYDRTR-ZDUSSCGKSA-N 1 0 380.495 1.107 20 0 GDADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000844197973 655408527 /nfs/dbraw/zinc/40/85/27/655408527.db2.gz BQYRFJHZPOXDQL-SNVBAGLBSA-N 1 0 384.221 1.809 20 0 GDADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000820793512 655416898 /nfs/dbraw/zinc/41/68/98/655416898.db2.gz ZOBZNLZIBVXRPF-QMMMGPOBSA-N 1 0 396.282 1.306 20 0 GDADRO CSc1ccc([C@@H](CNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)[NH+](C)C)cc1 ZINC000820835051 655417878 /nfs/dbraw/zinc/41/78/78/655417878.db2.gz KULUFUZRAXKMSQ-NVXWUHKLSA-N 1 0 385.555 1.599 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2csc(Br)n2)CC1 ZINC000821018443 655421071 /nfs/dbraw/zinc/42/10/71/655421071.db2.gz BCEKZYSWENLXEV-LLVKDONJSA-N 1 0 387.303 1.284 20 0 GDADRO Cn1c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc2cc(Br)cnc21 ZINC000821052959 655421521 /nfs/dbraw/zinc/42/15/21/655421521.db2.gz RMGDIHDAHBVQSK-AWEZNQCLSA-N 1 0 395.301 1.912 20 0 GDADRO C[C@]1(CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[C@@]1(F)Cl ZINC000845401111 655428396 /nfs/dbraw/zinc/42/83/96/655428396.db2.gz SEBLFDCQACNCLO-IRXDYDNUSA-N 1 0 376.904 1.983 20 0 GDADRO CCn1ncc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1Br ZINC000821436020 655430005 /nfs/dbraw/zinc/43/00/05/655430005.db2.gz IEFQIUIPAPWBCZ-UKRRQHHQSA-N 1 0 398.349 1.764 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC000845509209 655431589 /nfs/dbraw/zinc/43/15/89/655431589.db2.gz OKPDRALKEGDWGV-UHFFFAOYSA-N 1 0 379.313 1.980 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1F ZINC000846230281 655450126 /nfs/dbraw/zinc/45/01/26/655450126.db2.gz CVCIKNNYGMFGAD-ZYHUDNBSSA-N 1 0 376.425 1.889 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1F ZINC000846230280 655450164 /nfs/dbraw/zinc/45/01/64/655450164.db2.gz CVCIKNNYGMFGAD-PWSUYJOCSA-N 1 0 376.425 1.889 20 0 GDADRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000822870242 655452688 /nfs/dbraw/zinc/45/26/88/655452688.db2.gz SCUZQCRQLWZSGH-CHWSQXEVSA-N 1 0 389.543 1.955 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000823004849 655455122 /nfs/dbraw/zinc/45/51/22/655455122.db2.gz ZACDCXRHZDBUQC-IUODEOHRSA-N 1 0 388.295 1.730 20 0 GDADRO COc1nc(C)c(Br)cc1-c1noc(-c2cn(CCC[NH3+])nn2)n1 ZINC000823153089 655457499 /nfs/dbraw/zinc/45/74/99/655457499.db2.gz VREOXUBUAFCEBD-UHFFFAOYSA-N 1 0 394.233 1.818 20 0 GDADRO C[NH+]1CCC(ONC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CC1 ZINC000846648283 655458340 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ZINC000825196297 655485532 /nfs/dbraw/zinc/48/55/32/655485532.db2.gz CODWBERUHZHNOB-GXSJLCMTSA-N 1 0 375.288 1.710 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)n(C)c1 ZINC000825200676 655485577 /nfs/dbraw/zinc/48/55/77/655485577.db2.gz FZCHUTDGPOVYRR-LBPRGKRZSA-N 1 0 384.424 1.065 20 0 GDADRO COc1cc(Br)cc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000825223504 655486124 /nfs/dbraw/zinc/48/61/24/655486124.db2.gz JBPGENSJZLJOIX-UHFFFAOYSA-N 1 0 386.290 1.550 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000825264049 655486861 /nfs/dbraw/zinc/48/68/61/655486861.db2.gz ZAXBBABVXQXGHU-LBPRGKRZSA-N 1 0 375.288 1.723 20 0 GDADRO CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 ZINC000825329555 655487953 /nfs/dbraw/zinc/48/79/53/655487953.db2.gz XRBAPKFXJODFBG-UONOGXRCSA-N 1 0 384.464 1.836 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848352029 655488263 /nfs/dbraw/zinc/48/82/63/655488263.db2.gz 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CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCN2CCCS2(=O)=O)C1 ZINC000848535145 655496263 /nfs/dbraw/zinc/49/62/63/655496263.db2.gz XAURMJVKGOUMBN-CABCVRRESA-N 1 0 375.535 1.838 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)C(F)(F)F ZINC000848594735 655497165 /nfs/dbraw/zinc/49/71/65/655497165.db2.gz GQJHWFCMQGGVCK-DTWKUNHWSA-N 1 0 378.317 1.366 20 0 GDADRO Cn1nc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1Br ZINC000826558910 655498703 /nfs/dbraw/zinc/49/87/03/655498703.db2.gz DDKCTDZGZOKDFG-UHFFFAOYSA-N 1 0 385.306 1.900 20 0 GDADRO O=C1O[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CN1C1CC1 ZINC000848678325 655498707 /nfs/dbraw/zinc/49/87/07/655498707.db2.gz KZSDMVXQHGKEDY-HIFRSBDPSA-N 1 0 385.258 1.762 20 0 GDADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ncc(Br)cn1 ZINC000826678700 655500022 /nfs/dbraw/zinc/50/00/22/655500022.db2.gz GSRMOGLRFNRENC-ZDUSSCGKSA-N 1 0 383.290 1.955 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)CNC(=O)c3ccc(Br)s3)CC[C@H]21 ZINC000827278216 655508594 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COC[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc(Br)c1 ZINC000828112458 655519324 /nfs/dbraw/zinc/51/93/24/655519324.db2.gz LPGWSYZCJOEBCC-CVEARBPZSA-N 1 0 382.302 1.643 20 0 GDADRO Cn1c(C(=O)N2CCC(O)(C[NH+](C)C)CC2)cc2cc(Br)cnc21 ZINC000828196710 655519896 /nfs/dbraw/zinc/51/98/96/655519896.db2.gz WABAUMGMEFGQTH-UHFFFAOYSA-N 1 0 395.301 1.865 20 0 GDADRO Cn1cnc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000849414310 655529686 /nfs/dbraw/zinc/52/96/86/655529686.db2.gz CRIQHYMLHWEENK-UHFFFAOYSA-N 1 0 376.910 1.243 20 0 GDADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000849429428 655533843 /nfs/dbraw/zinc/53/38/43/655533843.db2.gz QBOLKZKMISZHBG-UHFFFAOYSA-N 1 0 375.922 1.704 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000849468062 655540917 /nfs/dbraw/zinc/54/09/17/655540917.db2.gz CYCVXBJFOIYRME-LBPRGKRZSA-N 1 0 389.905 1.920 20 0 GDADRO Cc1c(Br)cncc1C[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000850131357 655550517 /nfs/dbraw/zinc/55/05/17/655550517.db2.gz SQUJMWZUTSYRST-UHFFFAOYSA-N 1 0 390.347 1.751 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]Cc2cn(C3CCC3)nn2)CC1)C(F)(F)F ZINC000850133827 655550540 /nfs/dbraw/zinc/55/05/40/655550540.db2.gz SVEIPZJSVMGGQD-UHFFFAOYSA-N 1 0 381.424 1.654 20 0 GDADRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000850490664 655556399 /nfs/dbraw/zinc/55/63/99/655556399.db2.gz FFKKRVNRKAACEJ-BSNNYGBQSA-N 1 0 386.461 1.899 20 0 GDADRO O=S(=O)(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2scnc21 ZINC000850587834 655559273 /nfs/dbraw/zinc/55/92/73/655559273.db2.gz LIGRWDPAMLYQFE-LBPRGKRZSA-N 1 0 394.444 1.411 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N(C)CC(C)(C)[NH3+])s1 ZINC000850589642 655559389 /nfs/dbraw/zinc/55/93/89/655559389.db2.gz YSWNJKMWKFQLIU-UHFFFAOYSA-N 1 0 385.305 1.655 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)ccc1Cl ZINC000850591631 655559501 /nfs/dbraw/zinc/55/95/01/655559501.db2.gz ATOKZJVHUHVXHT-LLVKDONJSA-N 1 0 392.930 1.697 20 0 GDADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000850592980 655559715 /nfs/dbraw/zinc/55/97/15/655559715.db2.gz DZLBXLVFHHPSQW-SSDOTTSWSA-N 1 0 399.694 1.775 20 0 GDADRO C[C@@H](CCNC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1)[NH+](C)C ZINC000850595885 655560113 /nfs/dbraw/zinc/56/01/13/655560113.db2.gz HGGZEFMINLNNKD-VIFPVBQESA-N 1 0 384.893 1.592 20 0 GDADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCn3ncc(Br)c3C2)c1 ZINC000850857866 655570209 /nfs/dbraw/zinc/57/02/09/655570209.db2.gz JRMXGLIMKLTCSO-UHFFFAOYSA-N 1 0 392.257 1.394 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC[C@H]1F ZINC000851648656 655589708 /nfs/dbraw/zinc/58/97/08/655589708.db2.gz MMVSPCPQUYYONS-ZIAGYGMSSA-N 1 0 389.880 1.636 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000851717475 655592628 /nfs/dbraw/zinc/59/26/28/655592628.db2.gz SYDQRZLTZCOJDP-LBPRGKRZSA-N 1 0 390.339 1.961 20 0 GDADRO CC[C@H]1CN([C@@H]2CS(=O)(=O)C[C@@H]2OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000851869093 655601237 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[NH3+]C[C@H]1CC(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)=NO1 ZINC000852806591 655623024 /nfs/dbraw/zinc/62/30/24/655623024.db2.gz KAUUIBVPAWNRQZ-SSDOTTSWSA-N 1 0 376.726 1.121 20 0 GDADRO C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000852817949 655623398 /nfs/dbraw/zinc/62/33/98/655623398.db2.gz MFDQRGHMEJUQBS-DTWKUNHWSA-N 1 0 384.230 1.501 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000852841737 655623996 /nfs/dbraw/zinc/62/39/96/655623996.db2.gz KAOLEVXCVFNNIX-UHFFFAOYSA-N 1 0 377.894 1.074 20 0 GDADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852869832 655624730 /nfs/dbraw/zinc/62/47/30/655624730.db2.gz MUJCLPUIKWFSOD-SWLSCSKDSA-N 1 0 395.301 1.758 20 0 GDADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852869828 655624750 /nfs/dbraw/zinc/62/47/50/655624750.db2.gz MUJCLPUIKWFSOD-DOMZBBRYSA-N 1 0 395.301 1.758 20 0 GDADRO O=C(CSC(F)(F)F)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852931106 655628635 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380.286 1.581 20 0 GDADRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862332937 655844436 /nfs/dbraw/zinc/84/44/36/655844436.db2.gz ZVLSGYJIQQIMPX-HUUCEWRRSA-N 1 0 378.535 1.815 20 0 GDADRO CSc1cc(N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)nc(SC)n1 ZINC000863477529 655873623 /nfs/dbraw/zinc/87/36/23/655873623.db2.gz OAWMGOMPAGXVJA-NEPJUHHUSA-N 1 0 381.527 1.682 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cnc(Cl)c(Br)c3)C[C@H]21 ZINC000863451193 655873648 /nfs/dbraw/zinc/87/36/48/655873648.db2.gz YDAQLOSWUTWANT-JZYVYDRUSA-N 1 0 380.695 1.678 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000863767942 655880524 /nfs/dbraw/zinc/88/05/24/655880524.db2.gz XKWQSDUEVGBXTQ-VIFPVBQESA-N 1 0 376.682 1.867 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000864051109 655887988 /nfs/dbraw/zinc/88/79/88/655887988.db2.gz AVTYMNQNPGMXIE-AUSHCKSDSA-N 1 0 381.283 1.804 20 0 GDADRO CC1(C)CC[C@H](CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)[NH2+]C1 ZINC000864055291 655888276 /nfs/dbraw/zinc/88/82/76/655888276.db2.gz MJSQMEPCJKEPNX-WOPDTQHZSA-N 1 0 385.452 1.382 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000864063221 655888581 /nfs/dbraw/zinc/88/85/81/655888581.db2.gz IVEVXMJWJCMUGB-RKDXNWHRSA-N 1 0 376.242 1.781 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000864068030 655889084 /nfs/dbraw/zinc/88/90/84/655889084.db2.gz NEMMYFUDIKKYLG-SECBINFHSA-N 1 0 376.242 1.925 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC000864088877 655890063 /nfs/dbraw/zinc/89/00/63/655890063.db2.gz KBPRASADXVKOBX-XXILOJSOSA-N 1 0 388.253 1.531 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)c2cc(I)nn2C)CC1 ZINC000864596462 655902833 /nfs/dbraw/zinc/90/28/33/655902833.db2.gz QWWGWULTDROXGN-UHFFFAOYSA-N 1 0 376.242 1.627 20 0 GDADRO C[NH+]1CCN(CCNC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000864658618 655903866 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CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)CC(F)F ZINC000865410035 655919372 /nfs/dbraw/zinc/91/93/72/655919372.db2.gz FTWCTJHCCJHJTQ-GFCCVEGCSA-N 1 0 385.477 1.549 20 0 GDADRO Cc1ccnc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1Br ZINC000865481894 655920465 /nfs/dbraw/zinc/92/04/65/655920465.db2.gz XWSASNAKZXSAKR-BZNIZROVSA-N 1 0 381.274 1.963 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000865489907 655920729 /nfs/dbraw/zinc/92/07/29/655920729.db2.gz JLAXIFOEFHEBSR-RBSFLKMASA-N 1 0 375.535 1.693 20 0 GDADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CC(NS(C)(=O)=O)C1)CC(F)(F)F ZINC000865559931 655921836 /nfs/dbraw/zinc/92/18/36/655921836.db2.gz ZDMDIYOYTGLERC-ILDUYXDCSA-N 1 0 389.440 1.502 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+]CC[S@](=O)CC(F)(F)F)ccc1Cl ZINC000865622593 655923073 /nfs/dbraw/zinc/92/30/73/655923073.db2.gz YNAMQGYEVQIHSG-NRFANRHFSA-N 1 0 378.825 1.388 20 0 GDADRO COc1cc(Br)c(C[NH2+]CC(C)(C)CS(N)(=O)=O)c(OC)c1 ZINC000865813390 655927533 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CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)N=[S@](C)(=O)CC ZINC000866498658 655947466 /nfs/dbraw/zinc/94/74/66/655947466.db2.gz AYYCPFUESSHDES-XMMPIXPASA-N 1 0 391.559 1.859 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cn(C)nc2Br)C1 ZINC000866506136 655947708 /nfs/dbraw/zinc/94/77/08/655947708.db2.gz DSCVQZFGAXHBFH-VXGBXAGGSA-N 1 0 393.351 1.829 20 0 GDADRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(Br)cc1F ZINC000866554888 655949319 /nfs/dbraw/zinc/94/93/19/655949319.db2.gz VFDXHCNERMYEOC-BDJLRTHQSA-N 1 0 387.249 1.867 20 0 GDADRO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc(Br)ccc1F ZINC000866555808 655949441 /nfs/dbraw/zinc/94/94/41/655949441.db2.gz NZLSLAQGUXHTSW-BZNIZROVSA-N 1 0 387.249 1.867 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000866576881 655950140 /nfs/dbraw/zinc/95/01/40/655950140.db2.gz AXOWZIOMBSPWDU-UHFFFAOYSA-N 1 0 388.555 1.330 20 0 GDADRO COC1([C@@H](C)[NH2+]Cc2c(I)cnn2C)CCOCC1 ZINC000866632223 655952000 /nfs/dbraw/zinc/95/20/00/655952000.db2.gz VXSIPMZXSOPUDD-SNVBAGLBSA-N 1 0 379.242 1.698 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ncccc2Br)CC1 ZINC000866669168 655952863 /nfs/dbraw/zinc/95/28/63/655952863.db2.gz SNPDHXBNNJVUSZ-CABCVRRESA-N 1 0 381.274 1.601 20 0 GDADRO COC(=O)[C@@H](NS(=O)(=O)CCC[NH+]1CCCC1)c1cc(F)ccc1F ZINC000866715265 655956312 /nfs/dbraw/zinc/95/63/12/655956312.db2.gz NSECZHBSNDNBON-HNNXBMFYSA-N 1 0 376.425 1.584 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000866738143 655957676 /nfs/dbraw/zinc/95/76/76/655957676.db2.gz UXOCFFLIEFBMFU-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1nc[nH]c1Br ZINC000866739703 655957781 /nfs/dbraw/zinc/95/77/81/655957781.db2.gz FSVGGHJLUPWTOF-UHFFFAOYSA-N 1 0 383.312 1.151 20 0 GDADRO CN1CCN(S(=O)(=O)c2oc3ccccc3c2Br)[C@H](C[NH3+])C1 ZINC000866741967 655957995 /nfs/dbraw/zinc/95/79/95/655957995.db2.gz JZFVUHBDKJGAET-SNVBAGLBSA-N 1 0 388.287 1.459 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000866748353 655958724 /nfs/dbraw/zinc/95/87/24/655958724.db2.gz OAKKZXYUFYIYEA-INIZCTEOSA-N 1 0 375.441 1.267 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(Br)n1 ZINC000866750172 655958770 /nfs/dbraw/zinc/95/87/70/655958770.db2.gz JPONNTUKTZTSQA-NSHDSACASA-N 1 0 377.308 1.432 20 0 GDADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000866763348 655960197 /nfs/dbraw/zinc/96/01/97/655960197.db2.gz DFUXEQJRWFAEDY-JTQLQIEISA-N 1 0 387.918 1.013 20 0 GDADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866771699 655961492 /nfs/dbraw/zinc/96/14/92/655961492.db2.gz IUNNZLPBRMFSOH-BXUZGUMPSA-N 1 0 377.869 1.781 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)Cc1c(Br)cccc1OC ZINC000866779886 655962766 /nfs/dbraw/zinc/96/27/66/655962766.db2.gz VPTAIBOVVRJTRL-UHFFFAOYSA-N 1 0 395.319 1.455 20 0 GDADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc[nH]c1Br ZINC000866792018 655964222 /nfs/dbraw/zinc/96/42/22/655964222.db2.gz QNMNIAPSKROCOU-NSHDSACASA-N 1 0 393.307 1.094 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH3+])C[C@H]2C)c(F)cc1Br ZINC000866794639 655964423 /nfs/dbraw/zinc/96/44/23/655964423.db2.gz WKNKFOAEYVZNFL-SFYZADRCSA-N 1 0 395.250 1.485 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000866809576 655966093 /nfs/dbraw/zinc/96/60/93/655966093.db2.gz LFCTWBJNBYGYGD-CLLJXQQHSA-N 1 0 387.527 1.456 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)C3CC[NH2+]CC3)c(Cl)cc21 ZINC000866810420 655966174 /nfs/dbraw/zinc/96/61/74/655966174.db2.gz RCRMHNBPPKYQIM-LLVKDONJSA-N 1 0 385.917 1.915 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000866811051 655966182 /nfs/dbraw/zinc/96/61/82/655966182.db2.gz HYOLAASUXYOAQW-SNVBAGLBSA-N 1 0 389.905 1.973 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)c(Br)o1 ZINC000866812879 655966312 /nfs/dbraw/zinc/96/63/12/655966312.db2.gz JPPNBYLQBKTTBX-QMMMGPOBSA-N 1 0 395.275 1.495 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)C1 ZINC000866816086 655966619 /nfs/dbraw/zinc/96/66/19/655966619.db2.gz ISACRSFWAOXUEK-FZZIBODNSA-N 1 0 389.836 1.035 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)C(F)(F)F ZINC000866823653 655967242 /nfs/dbraw/zinc/96/72/42/655967242.db2.gz OMFDXRYZWANNSM-ZYHUDNBSSA-N 1 0 377.388 1.702 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866824286 655967287 /nfs/dbraw/zinc/96/72/87/655967287.db2.gz LDQUQAIHQKFIGK-GXTWGEPZSA-N 1 0 387.889 1.822 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1Br ZINC000866831058 655968040 /nfs/dbraw/zinc/96/80/40/655968040.db2.gz GFRWKFNUULFLKZ-OLZOCXBDSA-N 1 0 375.288 1.973 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866831590 655968056 /nfs/dbraw/zinc/96/80/56/655968056.db2.gz OGOGZICMRPSNGC-STQMWFEESA-N 1 0 392.262 1.806 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc2onc(Cl)c2c1 ZINC000866843813 655969539 /nfs/dbraw/zinc/96/95/39/655969539.db2.gz MURCPEGZVANAAF-LBPRGKRZSA-N 1 0 387.889 1.996 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866873355 655972395 /nfs/dbraw/zinc/97/23/95/655972395.db2.gz ARQQNKMUIIUPGW-GFCCVEGCSA-N 1 0 395.356 1.940 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2Br)C1 ZINC000866892426 655974548 /nfs/dbraw/zinc/97/45/48/655974548.db2.gz HUBSUSJRCVNVJR-NSHDSACASA-N 1 0 379.324 1.535 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(Br)n1 ZINC000866971798 655983226 /nfs/dbraw/zinc/98/32/26/655983226.db2.gz IRNCHTAGHNCZJE-GHMZBOCLSA-N 1 0 377.308 1.287 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)C1 ZINC000866986089 655984284 /nfs/dbraw/zinc/98/42/84/655984284.db2.gz OQUUEOMAJNVAEZ-ZDVXSHRPSA-N 1 0 389.518 1.943 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(Br)n1 ZINC000866986508 655984299 /nfs/dbraw/zinc/98/42/99/655984299.db2.gz VJPJQWHMLANKBI-GHMZBOCLSA-N 1 0 377.308 1.287 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000867025119 655988526 /nfs/dbraw/zinc/98/85/26/655988526.db2.gz LWPXWOHUTLKTJY-UHFFFAOYSA-N 1 0 394.607 1.229 20 0 GDADRO COC(=O)c1cc(Br)cc(OS(=O)(=O)CCC[NH+](C)C)c1 ZINC000867047231 655990764 /nfs/dbraw/zinc/99/07/64/655990764.db2.gz KRHBXUWLJRAVHW-UHFFFAOYSA-N 1 0 380.260 1.896 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000867147520 656002408 /nfs/dbraw/zinc/00/24/08/656002408.db2.gz HZSNZOJUSCISDU-LLVKDONJSA-N 1 0 379.404 1.950 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867362977 656045447 /nfs/dbraw/zinc/04/54/47/656045447.db2.gz YQDGQGODWYFQAI-GFCCVEGCSA-N 1 0 383.290 1.261 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000867380182 656049594 /nfs/dbraw/zinc/04/95/94/656049594.db2.gz DMHICWCBBBEANF-HNNXBMFYSA-N 1 0 395.301 1.547 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000867450842 656063541 /nfs/dbraw/zinc/06/35/41/656063541.db2.gz OZAWAFWCELAZQW-SNVBAGLBSA-N 1 0 386.861 1.222 20 0 GDADRO Cn1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)n1 ZINC000867496960 656070521 /nfs/dbraw/zinc/07/05/21/656070521.db2.gz NKRDTFPUBOPNAA-JTQLQIEISA-N 1 0 379.324 1.581 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867515033 656074407 /nfs/dbraw/zinc/07/44/07/656074407.db2.gz GZODAFSBSMOYES-FZMZJTMJSA-N 1 0 383.290 1.259 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Br)cn2)[C@H](C)C1 ZINC000867518146 656074905 /nfs/dbraw/zinc/07/49/05/656074905.db2.gz YCJOHVBKUYOQCS-DOMZBBRYSA-N 1 0 397.317 1.649 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCSCCC(F)(F)F)CC[C@@H]21 ZINC000867578269 656087472 /nfs/dbraw/zinc/08/74/72/656087472.db2.gz JKARWMNFNXNIEP-OLZOCXBDSA-N 1 0 381.464 1.731 20 0 GDADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000867624223 656095122 /nfs/dbraw/zinc/09/51/22/656095122.db2.gz MZRJKQXFKZWQJN-UHFFFAOYSA-N 1 0 397.317 1.793 20 0 GDADRO CCN(C(=O)C(=O)NCc1ccc(Br)cn1)[C@H]1CC[N@H+](CC)C1 ZINC000867628456 656095668 /nfs/dbraw/zinc/09/56/68/656095668.db2.gz BBEIIILXJSGBPO-AWEZNQCLSA-N 1 0 383.290 1.403 20 0 GDADRO CO[C@H](CS(=O)(=O)NCCC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000867652846 656099356 /nfs/dbraw/zinc/09/93/56/656099356.db2.gz XCWZXOBGAJPZCZ-GOSISDBHSA-N 1 0 376.563 1.858 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000867806709 656119498 /nfs/dbraw/zinc/11/94/98/656119498.db2.gz HTJWLUKXONJPRU-IUODEOHRSA-N 1 0 385.917 1.723 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(Br)nc3F)CC[C@@H]21 ZINC000867812693 656120397 /nfs/dbraw/zinc/12/03/97/656120397.db2.gz ZEGHUUDKJMSQOM-UWVGGRQHSA-N 1 0 378.267 1.698 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCN(c2cccnn2)CC1)c1cccc(Br)c1 ZINC000867958655 656135627 /nfs/dbraw/zinc/13/56/27/656135627.db2.gz FCCHCUQRQFSDBC-OAHLLOKOSA-N 1 0 376.258 1.588 20 0 GDADRO [NH3+][C@H](C(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1cccc(Br)c1 ZINC000867985801 656137129 /nfs/dbraw/zinc/13/71/29/656137129.db2.gz OKVXBMXUOZQTTQ-GJZGRUSLSA-N 1 0 395.301 1.855 20 0 GDADRO C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C1CC[NH2+]CC1 ZINC000868005281 656137200 /nfs/dbraw/zinc/13/72/00/656137200.db2.gz LPBOOYIUISCDNC-CYBMUJFWSA-N 1 0 385.555 1.579 20 0 GDADRO CC[NH+](CC)CCCNC(=O)NCc1c(I)cnn1C ZINC000868014077 656137468 /nfs/dbraw/zinc/13/74/68/656137468.db2.gz VXUJZGNUZYSFBH-UHFFFAOYSA-N 1 0 393.273 1.556 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(I)nn1C ZINC000868280870 656148522 /nfs/dbraw/zinc/14/85/22/656148522.db2.gz JAPMTDZDBFPIDN-WDEREUQCSA-N 1 0 388.253 1.724 20 0 GDADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000868287988 656148673 /nfs/dbraw/zinc/14/86/73/656148673.db2.gz SOVSEOSCXNOCBT-UHFFFAOYSA-N 1 0 378.270 1.821 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000868303302 656149791 /nfs/dbraw/zinc/14/97/91/656149791.db2.gz VPUONAIPBBWMQA-OTSSQURYSA-N 1 0 390.665 1.903 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1I ZINC000868304653 656149993 /nfs/dbraw/zinc/14/99/93/656149993.db2.gz DTOBOBDGLAJMBO-MGCOHNPYSA-N 1 0 387.221 1.392 20 0 GDADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NCc2ncc(Br)s2)cc1 ZINC000868316812 656150444 /nfs/dbraw/zinc/15/04/44/656150444.db2.gz RVKWQLREKNPVMR-WDEREUQCSA-N 1 0 395.282 1.975 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(Br)cn2)CC1 ZINC000868360937 656151921 /nfs/dbraw/zinc/15/19/21/656151921.db2.gz ZHKIBINHGUXSTE-CQSZACIVSA-N 1 0 398.349 1.917 20 0 GDADRO Cn1ncc(I)c1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000868367262 656152072 /nfs/dbraw/zinc/15/20/72/656152072.db2.gz IPQBSWCMXQZDAD-JTQLQIEISA-N 1 0 391.257 1.166 20 0 GDADRO CCOC(=O)CS[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)C(F)(F)F ZINC000868374419 656152575 /nfs/dbraw/zinc/15/25/75/656152575.db2.gz RNTBJRLRYJRTOU-GRYCIOLGSA-N 1 0 385.452 1.996 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000868384509 656153120 /nfs/dbraw/zinc/15/31/20/656153120.db2.gz CHSGPEATNSWIFC-DOMZBBRYSA-N 1 0 398.301 1.450 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868422136 656155134 /nfs/dbraw/zinc/15/51/34/656155134.db2.gz QMLLUBHLOCBBPL-VXGBXAGGSA-N 1 0 386.315 1.822 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c1Br ZINC000868555716 656160700 /nfs/dbraw/zinc/16/07/00/656160700.db2.gz QOTADRHZJDXCSA-UHFFFAOYSA-N 1 0 384.322 1.546 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(Br)cn2ccnc12 ZINC000869261382 656189117 /nfs/dbraw/zinc/18/91/17/656189117.db2.gz ZWUDGRHWRJATLC-UHFFFAOYSA-N 1 0 396.289 1.189 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc[nH]c(=O)c1Br ZINC000869762209 656206581 /nfs/dbraw/zinc/20/65/81/656206581.db2.gz IXAUTCKQXJRHPH-UHFFFAOYSA-N 1 0 386.290 1.980 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)c3nccn3c2)C1 ZINC000869776056 656206996 /nfs/dbraw/zinc/20/69/96/656206996.db2.gz XKMXERWWCLIHSI-LBPRGKRZSA-N 1 0 381.274 1.672 20 0 GDADRO Cn1nnc(Br)c1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870187704 656221099 /nfs/dbraw/zinc/22/10/99/656221099.db2.gz CUHKFRKGBNKPBV-UHFFFAOYSA-N 1 0 392.301 1.971 20 0 GDADRO CC(C)[C@H](C[NH+](C)C)OC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000870570325 656239585 /nfs/dbraw/zinc/23/95/85/656239585.db2.gz AEQNSZZWRFINGP-ZDUSSCGKSA-N 1 0 390.527 1.512 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2csc(C3CC[NH2+]CC3)n2)C1 ZINC000870865211 656251113 /nfs/dbraw/zinc/25/11/13/656251113.db2.gz JFJHAHUQIUJVOI-GFCCVEGCSA-N 1 0 386.543 1.012 20 0 GDADRO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3c(Br)nnn3C)C2)c1 ZINC000870909185 656254773 /nfs/dbraw/zinc/25/47/73/656254773.db2.gz AXOUAXJZWOZXQO-CYBMUJFWSA-N 1 0 378.274 1.890 20 0 GDADRO COc1cc(I)ccc1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000870938750 656256774 /nfs/dbraw/zinc/25/67/74/656256774.db2.gz VEKWKINBSRXQST-NSHDSACASA-N 1 0 389.237 1.015 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)c2c(F)ccc(I)c2Cl)CCO1 ZINC000870940522 656256928 /nfs/dbraw/zinc/25/69/28/656256928.db2.gz KFCHHQXYKAEPAK-SSDOTTSWSA-N 1 0 398.603 1.883 20 0 GDADRO [NH3+][C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000870960353 656259097 /nfs/dbraw/zinc/25/90/97/656259097.db2.gz VKBCQRZXFNHOCH-UONOGXRCSA-N 1 0 381.274 1.909 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@@H]1C(F)(F)F ZINC000871810051 656280802 /nfs/dbraw/zinc/28/08/02/656280802.db2.gz FFPKRDPLXVMDQY-JQWIXIFHSA-N 1 0 380.388 1.606 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C[C@H]1C(F)(F)F ZINC000871810985 656281060 /nfs/dbraw/zinc/28/10/60/656281060.db2.gz MGXQMIIIJWMFTE-ZYHUDNBSSA-N 1 0 376.356 1.551 20 0 GDADRO CO[C@H](CS(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000871812978 656281739 /nfs/dbraw/zinc/28/17/39/656281739.db2.gz MCHHDXSRKGJCQN-IACUBPJLSA-N 1 0 384.395 1.912 20 0 GDADRO Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc12 ZINC000871813287 656281925 /nfs/dbraw/zinc/28/19/25/656281925.db2.gz HSGXXHMMXVATIX-BXKDBHETSA-N 1 0 377.392 1.034 20 0 GDADRO CN(C)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000871814540 656282842 /nfs/dbraw/zinc/28/28/42/656282842.db2.gz VVXQOABNCFAKTL-DGCLKSJQSA-N 1 0 379.404 1.146 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(F)c1 ZINC000871814986 656283084 /nfs/dbraw/zinc/28/30/84/656283084.db2.gz YDDZQGMWBVHFJU-UWVGGRQHSA-N 1 0 384.351 1.370 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871815257 656283321 /nfs/dbraw/zinc/28/33/21/656283321.db2.gz DJKRDEZHUGYQCJ-LKFCYVNXSA-N 1 0 393.278 1.827 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@]34CCC[C@H]3[NH2+]CC4)c(Cl)cc21 ZINC000871818613 656283512 /nfs/dbraw/zinc/28/35/12/656283512.db2.gz LJHQPGQKTVCMSH-SJORKVTESA-N 1 0 383.901 1.812 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)c(Cl)cc21 ZINC000871818610 656283572 /nfs/dbraw/zinc/28/35/72/656283572.db2.gz LJHQPGQKTVCMSH-DLBZAZTESA-N 1 0 383.901 1.812 20 0 GDADRO O=S(=O)(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccccc1S(=O)(=O)C(F)F ZINC000871816525 656283604 /nfs/dbraw/zinc/28/36/04/656283604.db2.gz GJDOHEWDKRZSCD-JSGCOSHPSA-N 1 0 380.438 1.246 20 0 GDADRO [NH3+][C@H](C[C@@H]1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1)C1CCCC1 ZINC000871823715 656284349 /nfs/dbraw/zinc/28/43/49/656284349.db2.gz RNOURMGKIGNBDQ-WMLDXEAASA-N 1 0 392.587 1.513 20 0 GDADRO C[NH+](C)C[C@H](N)c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000872177989 656319147 /nfs/dbraw/zinc/31/91/47/656319147.db2.gz QBVFBQWODYCPIG-NSHDSACASA-N 1 0 383.246 1.756 20 0 GDADRO CCc1cnc(CN(C)C(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)s1 ZINC000872191370 656319569 /nfs/dbraw/zinc/31/95/69/656319569.db2.gz KJAOWDQPFAGHJD-GXSJLCMTSA-N 1 0 378.420 1.260 20 0 GDADRO CC(C)(C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)CS(N)(=O)=O ZINC000872233852 656320744 /nfs/dbraw/zinc/32/07/44/656320744.db2.gz HQLXNRHGDXHUPZ-AWEZNQCLSA-N 1 0 397.310 1.700 20 0 GDADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC1 ZINC000872459736 656333525 /nfs/dbraw/zinc/33/35/25/656333525.db2.gz WAECPPDNQYZXSG-QHCPKHFHSA-N 1 0 383.580 1.560 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cccc(Br)n2)C[C@H]1[NH+](C)C ZINC000872466313 656335294 /nfs/dbraw/zinc/33/52/94/656335294.db2.gz YKFJEGDOMZHMKB-ZJUUUORDSA-N 1 0 380.333 1.510 20 0 GDADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC1 ZINC000872476974 656337636 /nfs/dbraw/zinc/33/76/36/656337636.db2.gz CCEBLEWBTQTQMZ-QHCPKHFHSA-N 1 0 382.596 1.133 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC1=O ZINC000872499108 656342578 /nfs/dbraw/zinc/34/25/78/656342578.db2.gz DWDCGRMSLJJXBW-UHFFFAOYSA-N 1 0 379.404 1.158 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1 ZINC000872595167 656361684 /nfs/dbraw/zinc/36/16/84/656361684.db2.gz BDPPMGMSQUBDLI-CALCHBBNSA-N 1 0 386.539 1.194 20 0 GDADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)Cc1ncsc1Br ZINC000872666173 656372287 /nfs/dbraw/zinc/37/22/87/656372287.db2.gz WZCHWJLNRCXLPS-QWRGUYRKSA-N 1 0 380.333 1.904 20 0 GDADRO O=C(NCc1ncc(Cl)s1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000872923295 656382009 /nfs/dbraw/zinc/38/20/09/656382009.db2.gz HKCRVBIMOJGNPR-YPMHNXCESA-N 1 0 382.917 1.888 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000873103061 656386406 /nfs/dbraw/zinc/38/64/06/656386406.db2.gz CDPGFKOMBVQZKB-GZMMTYOYSA-N 1 0 394.191 1.983 20 0 GDADRO CS(=O)(=O)Cc1cccc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873306720 656390457 /nfs/dbraw/zinc/39/04/57/656390457.db2.gz XXYARYVSFRUGGP-YPMHNXCESA-N 1 0 379.404 1.832 20 0 GDADRO Cc1ccc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(S(C)(=O)=O)c1 ZINC000873329992 656390757 /nfs/dbraw/zinc/39/07/57/656390757.db2.gz IOSJZEBVLIJGMN-WDEREUQCSA-N 1 0 379.404 1.999 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2)[NH+]1CCCC1 ZINC000873663684 656401882 /nfs/dbraw/zinc/40/18/82/656401882.db2.gz MGDAPTJHYWGCBW-LLVKDONJSA-N 1 0 396.285 1.923 20 0 GDADRO Cc1cnc(Cl)c(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000921774147 656408342 /nfs/dbraw/zinc/40/83/42/656408342.db2.gz NVQIRQKMUXCKJG-UHFFFAOYSA-N 1 0 383.905 1.720 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000921927394 656429424 /nfs/dbraw/zinc/42/94/24/656429424.db2.gz IXUMKFPUMPWDOE-QLFBSQMISA-N 1 0 375.535 1.693 20 0 GDADRO O=C(Nc1cc(Cl)cc(Cl)c1F)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000873936590 656431055 /nfs/dbraw/zinc/43/10/55/656431055.db2.gz UESGWJDNVFQWBW-VHSXEESVSA-N 1 0 376.215 1.348 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3nc(CC(F)(F)F)cs3)CC[C@@H]21 ZINC000874172294 656448131 /nfs/dbraw/zinc/44/81/31/656448131.db2.gz ANQPAVZOVIBZAU-KOLCDFICSA-N 1 0 376.404 1.739 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2csc(Br)n2)CC1 ZINC000874214450 656453014 /nfs/dbraw/zinc/45/30/14/656453014.db2.gz DTAHJWUXMNWQJL-UHFFFAOYSA-N 1 0 396.314 1.982 20 0 GDADRO C[N@H+](CCNC(=O)c1cc(F)c(Br)cc1Cl)CCOCCO ZINC000922116857 656457466 /nfs/dbraw/zinc/45/74/66/656457466.db2.gz ORFGMKXDBGHOKM-UHFFFAOYSA-N 1 0 397.672 1.912 20 0 GDADRO C[N@H+](CCNC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)CCOCCO ZINC000922128627 656459165 /nfs/dbraw/zinc/45/91/65/656459165.db2.gz KDJDZTPZYTWMHC-FUHWJXTLSA-N 1 0 399.329 1.784 20 0 GDADRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2cnc(Br)cn2)CCCO1 ZINC000922202643 656461634 /nfs/dbraw/zinc/46/16/34/656461634.db2.gz QWDYNGGFIIVKSJ-GFCCVEGCSA-N 1 0 386.294 1.539 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cnc1Br ZINC000874369558 656465866 /nfs/dbraw/zinc/46/58/66/656465866.db2.gz TVZQNORWIKSCLX-CHWSQXEVSA-N 1 0 381.274 1.786 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(N)nc(Br)c2)CC1 ZINC000874469445 656473628 /nfs/dbraw/zinc/47/36/28/656473628.db2.gz RPJFCNKQBZNOFS-UHFFFAOYSA-N 1 0 384.322 1.430 20 0 GDADRO CCn1ncc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1Br ZINC000874469344 656473650 /nfs/dbraw/zinc/47/36/50/656473650.db2.gz NPKUSPAHWHQIGM-UHFFFAOYSA-N 1 0 386.338 1.669 20 0 GDADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cc(Br)nn2C)CCC(=O)N1C ZINC000922404835 656475128 /nfs/dbraw/zinc/47/51/28/656475128.db2.gz FJLQUXKWYMZGIN-NHYWBVRUSA-N 1 0 381.278 1.368 20 0 GDADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000874821575 656489317 /nfs/dbraw/zinc/48/93/17/656489317.db2.gz BUWNZLYONWQPNO-KBPBESRZSA-N 1 0 391.273 1.734 20 0 GDADRO CO[C@@]1(C[NH2+]Cc2cc(Br)cc3c2OCC3)CCS(=O)(=O)C1 ZINC000922619840 656497125 /nfs/dbraw/zinc/49/71/25/656497125.db2.gz UYFXASAESOZZLW-OAHLLOKOSA-N 1 0 390.299 1.677 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)NCc2ncc(Br)s2)CCCC1 ZINC000874990729 656498823 /nfs/dbraw/zinc/49/88/23/656498823.db2.gz TYHROGNUTMKECG-UHFFFAOYSA-N 1 0 389.319 1.512 20 0 GDADRO CCN1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1=O ZINC000922637985 656498901 /nfs/dbraw/zinc/49/89/01/656498901.db2.gz BJHKZHWKECMZKJ-GFCCVEGCSA-N 1 0 390.303 1.197 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCc1ccc(Br)cn1)[NH+]1CCCCC1 ZINC000874992086 656499597 /nfs/dbraw/zinc/49/95/97/656499597.db2.gz CHGAYQKCBCVEQS-UHFFFAOYSA-N 1 0 397.317 1.841 20 0 GDADRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC3(Cl)Cl)C2)cc1 ZINC000875001290 656500680 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CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876694716 656624882 /nfs/dbraw/zinc/62/48/82/656624882.db2.gz MXRQKYKKHYDQSA-CHWSQXEVSA-N 1 0 379.404 1.245 20 0 GDADRO CCn1ncc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1Br ZINC000876832817 656633710 /nfs/dbraw/zinc/63/37/10/656633710.db2.gz FGONYHVQCZYWKA-NSHDSACASA-N 1 0 386.294 1.125 20 0 GDADRO COC[C@@]1(C(=O)NCCOCc2ccc(Cl)cc2Cl)C[NH2+]CCO1 ZINC000876896966 656637404 /nfs/dbraw/zinc/63/74/04/656637404.db2.gz OENWRIRPRVTCQG-MRXNPFEDSA-N 1 0 377.268 1.631 20 0 GDADRO CS(=O)(=O)C1CCC(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000924286493 656639042 /nfs/dbraw/zinc/63/90/42/656639042.db2.gz GDYZWXDRDISDHH-CKUJCDMFSA-N 1 0 389.587 1.469 20 0 GDADRO CCn1ncc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1Br ZINC000876918211 656639813 /nfs/dbraw/zinc/63/98/13/656639813.db2.gz IKQJFQKJECDTTK-LLVKDONJSA-N 1 0 382.266 1.193 20 0 GDADRO Cn1nc(I)cc1C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000876926195 656640222 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O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cccn2c(I)cnc12 ZINC000877004464 656645432 /nfs/dbraw/zinc/64/54/32/656645432.db2.gz JPHCFSNBDKQKCU-LLVKDONJSA-N 1 0 396.232 1.953 20 0 GDADRO CS(=O)(=O)c1ccc(/C=C\C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)o1 ZINC000877018477 656646716 /nfs/dbraw/zinc/64/67/16/656646716.db2.gz NLXRHFGQECHUFS-ZVIBEBPTSA-N 1 0 380.388 1.682 20 0 GDADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000877028682 656647254 /nfs/dbraw/zinc/64/72/54/656647254.db2.gz CYLVATSNXZERCV-YPMHNXCESA-N 1 0 385.452 1.585 20 0 GDADRO [NH3+]CC1(NC(=O)/C=C\c2ccc(I)o2)CCOCC1 ZINC000877044366 656648952 /nfs/dbraw/zinc/64/89/52/656648952.db2.gz ZRQKFXDSZHLRCF-RQOWECAXSA-N 1 0 376.194 1.522 20 0 GDADRO [NH3+]CC1(NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CCOCC1 ZINC000877046535 656649174 /nfs/dbraw/zinc/64/91/74/656649174.db2.gz OZTVEQCZPPKMBW-UHFFFAOYSA-N 1 0 381.889 1.511 20 0 GDADRO O=S1(=O)CCC(C[NH2+]C[C@@H](O)COc2ccccc2Br)CC1 ZINC000877110401 656653640 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C[NH+](C)C[C@@H]1NC(=O)N(c2cc(F)c(I)c(F)c2)C1=O ZINC000927203837 656799211 /nfs/dbraw/zinc/79/92/11/656799211.db2.gz NULQRVINYWXYPC-VIFPVBQESA-N 1 0 395.147 1.556 20 0 GDADRO Cn1nc(Br)cc1NC(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000879640770 656812891 /nfs/dbraw/zinc/81/28/91/656812891.db2.gz PWSFRUUMLVXRFY-NSHDSACASA-N 1 0 399.293 1.001 20 0 GDADRO COC[C@H]([NH2+]CCC(=O)N(C)CC(=O)OC)c1cccc(Br)c1 ZINC000879662392 656817333 /nfs/dbraw/zinc/81/73/33/656817333.db2.gz YVYQHJUEPMXKNR-AWEZNQCLSA-N 1 0 387.274 1.748 20 0 GDADRO COC[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cccc(Br)c1 ZINC000879663739 656817935 /nfs/dbraw/zinc/81/79/35/656817935.db2.gz RPSGRQYOROPKII-INIZCTEOSA-N 1 0 384.318 1.890 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC000879701722 656821634 /nfs/dbraw/zinc/82/16/34/656821634.db2.gz UIEYSLKGFOKXNP-HUUCEWRRSA-N 1 0 375.535 1.647 20 0 GDADRO CCN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@H](C)CS(=O)(=O)CC ZINC000927641812 656823445 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393.289 1.557 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)NCC[N@H+](C)C2CC2)c1 ZINC000929711340 656980555 /nfs/dbraw/zinc/98/05/55/656980555.db2.gz FWRYPTKPBUOXJX-UHFFFAOYSA-N 1 0 384.274 1.284 20 0 GDADRO C[C@@H]1C[C@@H](N(C)C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000929780755 656984636 /nfs/dbraw/zinc/98/46/36/656984636.db2.gz HAURXRUCEHGKLO-OWCLPIDISA-N 1 0 375.579 1.402 20 0 GDADRO CCO[C@H](CNC(=O)C(=O)NCc1sccc1Br)C[NH+](C)C ZINC000929863151 656988314 /nfs/dbraw/zinc/98/83/14/656988314.db2.gz OJNIBEUKAMCIMR-SNVBAGLBSA-N 1 0 392.319 1.210 20 0 GDADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000881932449 656996412 /nfs/dbraw/zinc/99/64/12/656996412.db2.gz LARGVBKTNRRFSG-IYPVNNRCSA-N 1 0 388.559 1.649 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cnc(CCC(F)(F)F)s2)CC1 ZINC000930121131 657001335 /nfs/dbraw/zinc/00/13/35/657001335.db2.gz QRKWGBUUYCBFDV-UHFFFAOYSA-N 1 0 378.420 1.484 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000930204759 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388.559 1.306 20 0 GDADRO Cc1cc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(C)cc1I ZINC000930639508 657040042 /nfs/dbraw/zinc/04/00/42/657040042.db2.gz IYVJNGTWKWGSJQ-TXEJJXNPSA-N 1 0 384.217 1.612 20 0 GDADRO COC[C@H]1CCC[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000930678725 657042115 /nfs/dbraw/zinc/04/21/15/657042115.db2.gz YSWQKXOMZMNXBA-HOTGVXAUSA-N 1 0 376.563 1.736 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccncc1I ZINC000930752018 657047332 /nfs/dbraw/zinc/04/73/32/657047332.db2.gz ZAYIHGCMVBZUSV-ZANVPECISA-N 1 0 386.237 1.712 20 0 GDADRO C[C@@H]1CN(c2ccc3nnc(Br)n3n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000882144453 657053941 /nfs/dbraw/zinc/05/39/41/657053941.db2.gz DAHXXRRNYLZQEV-OLZOCXBDSA-N 1 0 394.321 1.349 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)NCCC1SCCS1)c1cccnc1 ZINC000931027138 657066677 /nfs/dbraw/zinc/06/66/77/657066677.db2.gz LUMMOWJZJRQCPJ-CQSZACIVSA-N 1 0 382.555 1.503 20 0 GDADRO C[C@@H]1[C@H]([NH+](C)C)CCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000931046232 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1.834 20 0 GDADRO CC(C)[C@H]1CN(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000931551686 657107238 /nfs/dbraw/zinc/10/72/38/657107238.db2.gz YXMHHYQXEYWNDF-CVEARBPZSA-N 1 0 375.579 1.260 20 0 GDADRO COC(=O)[C@]12CCC[C@H]1N(Cc1c(I)cnn1C)CC2 ZINC000931621868 657112314 /nfs/dbraw/zinc/11/23/14/657112314.db2.gz GAQHEBNIADPXNZ-OCCSQVGLSA-N 1 0 389.237 1.942 20 0 GDADRO COC1(OC)CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1O ZINC000931635762 657114218 /nfs/dbraw/zinc/11/42/18/657114218.db2.gz XGWSZNNHEAOMJW-CQSZACIVSA-N 1 0 387.274 1.833 20 0 GDADRO CN1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC[N@H+](C)CC1 ZINC000931802443 657128439 /nfs/dbraw/zinc/12/84/39/657128439.db2.gz QECLOAHYUFKSNF-UHFFFAOYSA-N 1 0 382.818 1.810 20 0 GDADRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000882483517 657132198 /nfs/dbraw/zinc/13/21/98/657132198.db2.gz CHFUCGXHKSKVJE-CYBMUJFWSA-N 1 0 396.285 1.775 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000932443347 657185591 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CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 ZINC000932821941 657225040 /nfs/dbraw/zinc/22/50/40/657225040.db2.gz ISSDRKYIRWATTN-UHFFFAOYSA-N 1 0 388.515 1.128 20 0 GDADRO O=C(CC[NH+]1CCC(CO)(C(F)(F)F)CC1)NC(=O)NCC(F)(F)F ZINC000932828070 657225898 /nfs/dbraw/zinc/22/58/98/657225898.db2.gz MCDAVPIDYBAWFP-UHFFFAOYSA-N 1 0 379.301 1.401 20 0 GDADRO NS(=O)(=O)C[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000932948904 657233787 /nfs/dbraw/zinc/23/37/87/657233787.db2.gz LXJSAAIAPHGULU-CORIIIEPSA-N 1 0 378.416 1.779 20 0 GDADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000933038538 657248849 /nfs/dbraw/zinc/24/88/49/657248849.db2.gz FMIFSSGKFANVNH-XHDPSFHLSA-N 1 0 389.279 1.618 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc2c(Br)cnn2c1 ZINC000933134189 657261500 /nfs/dbraw/zinc/26/15/00/657261500.db2.gz MCZUFIHVDKBAIV-UHFFFAOYSA-N 1 0 381.274 1.673 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccccc1[S@](=O)C(F)(F)F ZINC000933131276 657261575 /nfs/dbraw/zinc/26/15/75/657261575.db2.gz BAKJFUVAXGBKGC-VWLOTQADSA-N 1 0 378.416 1.891 20 0 GDADRO O=C(c1cc(=O)[nH]cc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000933174490 657262589 /nfs/dbraw/zinc/26/25/89/657262589.db2.gz KRLOZILOGBAZQE-UHFFFAOYSA-N 1 0 384.274 1.734 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(Cl)o1 ZINC000933270192 657266891 /nfs/dbraw/zinc/26/68/91/657266891.db2.gz ZVTVSZSYVZCJJV-UHFFFAOYSA-N 1 0 375.878 1.671 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2c3c(nn2C)CCSC3)CC1 ZINC000883084338 657268529 /nfs/dbraw/zinc/26/85/29/657268529.db2.gz OQRCHIHFQQRXFF-UHFFFAOYSA-N 1 0 386.587 1.749 20 0 GDADRO Cn1nc2c(c1C[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)CSCC2 ZINC000883195684 657277216 /nfs/dbraw/zinc/27/72/16/657277216.db2.gz AJPIILSLHXMPJT-HZPDHXFCSA-N 1 0 384.571 1.692 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436477 657279886 /nfs/dbraw/zinc/27/98/86/657279886.db2.gz DGSLVPQXIRZFJK-AWEZNQCLSA-N 1 0 379.320 1.272 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)CCO1 ZINC000933436835 657280604 /nfs/dbraw/zinc/28/06/04/657280604.db2.gz IEMKSMJBKCTORZ-DYVFJYSZSA-N 1 0 385.302 1.580 20 0 GDADRO CCCNC(=O)NC(=O)C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436973 657280681 /nfs/dbraw/zinc/28/06/81/657280681.db2.gz JKWLBAPCOHJENW-INIZCTEOSA-N 1 0 386.290 1.568 20 0 GDADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC000933438015 657281160 /nfs/dbraw/zinc/28/11/60/657281160.db2.gz CDEUOOOPJWNDHW-MRXNPFEDSA-N 1 0 392.257 1.263 20 0 GDADRO C[N@H+](CCNCc1cccc(F)c1I)CCOCCO ZINC000883346472 657283043 /nfs/dbraw/zinc/28/30/43/657283043.db2.gz AKHJASXOFXPDKC-UHFFFAOYSA-N 1 0 396.244 1.461 20 0 GDADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1 ZINC000883359177 657283862 /nfs/dbraw/zinc/28/38/62/657283862.db2.gz ZPQSYCKZYATSBD-KCJUWKMLSA-N 1 0 376.347 1.804 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cnc2c1Cl ZINC000883470799 657288981 /nfs/dbraw/zinc/28/89/81/657288981.db2.gz HUSBZUAKTLMJCH-UHFFFAOYSA-N 1 0 385.799 1.593 20 0 GDADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000883471658 657289416 /nfs/dbraw/zinc/28/94/16/657289416.db2.gz UVQQDYFVDSXGHG-UHFFFAOYSA-N 1 0 396.359 1.195 20 0 GDADRO CCOC(=O)Cc1cccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c1 ZINC000883471103 657289498 /nfs/dbraw/zinc/28/94/98/657289498.db2.gz VNFAJZNWZBELGK-UHFFFAOYSA-N 1 0 382.404 1.694 20 0 GDADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)Cc1ncsc1Br ZINC000883471449 657289504 /nfs/dbraw/zinc/28/95/04/657289504.db2.gz LTJFPWDPUDQKIX-UHFFFAOYSA-N 1 0 382.227 1.558 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000883473536 657290411 /nfs/dbraw/zinc/29/04/11/657290411.db2.gz BIOPUYCTOYBFON-GFCCVEGCSA-N 1 0 379.404 1.950 20 0 GDADRO CSc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1 ZINC000933702483 657299973 /nfs/dbraw/zinc/29/99/73/657299973.db2.gz XDZVPDHDMLESKB-HIFRSBDPSA-N 1 0 385.555 1.223 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cnn(C)c2I)C[C@H](C)[N@H+]1C ZINC000933739434 657312850 /nfs/dbraw/zinc/31/28/50/657312850.db2.gz IRLJHXHPCNIERH-DTORHVGOSA-N 1 0 377.230 1.581 20 0 GDADRO CC[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000883895825 657315194 /nfs/dbraw/zinc/31/51/94/657315194.db2.gz DDRBNMMLYCABTB-JTQLQIEISA-N 1 0 378.424 1.483 20 0 GDADRO Cc1ccc(F)c(Br)c1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000884020296 657321462 /nfs/dbraw/zinc/32/14/62/657321462.db2.gz UIWKKWCSFHGOTD-NSHDSACASA-N 1 0 386.265 1.824 20 0 GDADRO CN1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@H+](C)CC1 ZINC000933998607 657332396 /nfs/dbraw/zinc/33/23/96/657332396.db2.gz LEKSNUQDRSHVJI-OAHLLOKOSA-N 1 0 376.328 1.912 20 0 GDADRO COCC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000884194049 657333853 /nfs/dbraw/zinc/33/38/53/657333853.db2.gz XQLUYPGITOYMDU-AAEUAGOBSA-N 1 0 399.289 1.385 20 0 GDADRO Cc1nc(CN2CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)CC2)no1 ZINC000884217348 657336243 /nfs/dbraw/zinc/33/62/43/657336243.db2.gz LVOBYWFMAUKXOW-OAHLLOKOSA-N 1 0 394.273 1.485 20 0 GDADRO CO[C@@H]1CC[C@H]1N(C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000934117613 657337680 /nfs/dbraw/zinc/33/76/80/657337680.db2.gz HNWKDIZDOMIUOE-ZIAGYGMSSA-N 1 0 384.274 1.613 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(Br)cc1F ZINC000934125040 657339337 /nfs/dbraw/zinc/33/93/37/657339337.db2.gz GIWZYYBURNUUDK-CYBMUJFWSA-N 1 0 386.265 1.757 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Br)cc3F)CC[C@@H]21 ZINC000934129108 657339577 /nfs/dbraw/zinc/33/95/77/657339577.db2.gz BLABSKQPDKMMJQ-DOMZBBRYSA-N 1 0 398.276 1.757 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cs1)C(N)=O ZINC000884239550 657339826 /nfs/dbraw/zinc/33/98/26/657339826.db2.gz WISMBBMAZLPOFF-RISCZKNCSA-N 1 0 382.555 1.642 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cs1)C(N)=O ZINC000884290679 657343605 /nfs/dbraw/zinc/34/36/05/657343605.db2.gz GUEMQFOSKJUBBD-YPMHNXCESA-N 1 0 382.555 1.500 20 0 GDADRO C[C@@](Cn1cccn1)([NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl)C(N)=O ZINC000934224708 657345971 /nfs/dbraw/zinc/34/59/71/657345971.db2.gz BPVISMUBLHDCTF-IZHWHUGBSA-N 1 0 389.308 1.831 20 0 GDADRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000884348047 657349620 /nfs/dbraw/zinc/34/96/20/657349620.db2.gz MNWCRYAGYZETEB-CABCVRRESA-N 1 0 385.917 1.980 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Nc2cncc(Br)c2C)CC[N@H+](C)C1 ZINC000934267178 657349791 /nfs/dbraw/zinc/34/97/91/657349791.db2.gz BZFSUGDHNDGVJH-NSHDSACASA-N 1 0 385.262 1.721 20 0 GDADRO C[C@@H](CNC(=O)Nc1c(Br)cnn1C1CC1)C[NH+]1CCN(C)CC1 ZINC000934375070 657358773 /nfs/dbraw/zinc/35/87/73/657358773.db2.gz LSMRIWFSTPMLDN-LBPRGKRZSA-N 1 0 399.337 1.986 20 0 GDADRO CN1CCN(C(=O)CC[NH2+][C@@](C)(CO)c2cccc(Br)c2)CC1 ZINC000934497102 657363390 /nfs/dbraw/zinc/36/33/90/657363390.db2.gz QYXATPVHJUOROW-KRWDZBQOSA-N 1 0 384.318 1.410 20 0 GDADRO C[NH+](C)CCN1CCN(c2nc3ccc(Br)cc3c(=O)[nH]2)CC1=O ZINC000884544923 657363945 /nfs/dbraw/zinc/36/39/45/657363945.db2.gz UJBNTBMVORQAHS-UHFFFAOYSA-N 1 0 394.273 1.308 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000884587084 657366051 /nfs/dbraw/zinc/36/60/51/657366051.db2.gz ZUGDSKFSAVBYLS-NWDGAFQWSA-N 1 0 380.286 1.545 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)Oc1ccccc1Br ZINC000884621602 657367458 /nfs/dbraw/zinc/36/74/58/657367458.db2.gz NJEDRGVVSOGGTI-TUAOUCFPSA-N 1 0 384.274 1.281 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884660014 657369466 /nfs/dbraw/zinc/36/94/66/657369466.db2.gz JIIXZEJPXKHHCY-JBLDHEPKSA-N 1 0 384.274 1.583 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000884677091 657370620 /nfs/dbraw/zinc/37/06/20/657370620.db2.gz GRODLPPLYYSZCJ-UHFFFAOYSA-N 1 0 387.311 1.064 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCc1sccc1Br)[C@H]1CCC[NH2+]C1 ZINC000884684070 657371285 /nfs/dbraw/zinc/37/12/85/657371285.db2.gz WMTDDLMCPFZWOD-MNOVXSKESA-N 1 0 388.331 1.674 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000884691754 657373162 /nfs/dbraw/zinc/37/31/62/657373162.db2.gz QUPZTTXDYMIMCC-SECBINFHSA-N 1 0 378.782 1.486 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000884709085 657374375 /nfs/dbraw/zinc/37/43/75/657374375.db2.gz VHIAEAWOLWMDPI-UHFFFAOYSA-N 1 0 396.207 1.938 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N[C@H]1CCC[NH2+]CC1)C2 ZINC000884715331 657374762 /nfs/dbraw/zinc/37/47/62/657374762.db2.gz PXFHROMWBSKCMG-AWEZNQCLSA-N 1 0 394.313 1.901 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1cccc(Br)c1 ZINC000884716904 657375112 /nfs/dbraw/zinc/37/51/12/657375112.db2.gz MFEPZZZTBGLSSR-UGFHNGPFSA-N 1 0 398.301 1.367 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](COC)c1cccc(Br)c1 ZINC000884722757 657375868 /nfs/dbraw/zinc/37/58/68/657375868.db2.gz KGXLTQRRPLUAIF-RISCZKNCSA-N 1 0 386.290 1.367 20 0 GDADRO CC(C)([NH3+])CCNC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000884729781 657376461 /nfs/dbraw/zinc/37/64/61/657376461.db2.gz VRHPXOXAHNRITH-UHFFFAOYSA-N 1 0 376.682 1.962 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1cccc(Br)c1 ZINC000884729857 657376549 /nfs/dbraw/zinc/37/65/49/657376549.db2.gz XHUOUVHKECMTFG-GYSYKLTISA-N 1 0 386.290 1.495 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)CC1 ZINC000884751865 657377405 /nfs/dbraw/zinc/37/74/05/657377405.db2.gz PQZDTIGIRFHHGJ-UHFFFAOYSA-N 1 0 375.803 1.803 20 0 GDADRO COCc1csc(CNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000884782689 657379356 /nfs/dbraw/zinc/37/93/56/657379356.db2.gz KGIBXERXEIRXMY-CMPLNLGQSA-N 1 0 379.404 1.106 20 0 GDADRO OC[C@H]([NH2+]CCCN1CCOCC1)c1ccccc1I ZINC000934827333 657380334 /nfs/dbraw/zinc/38/03/34/657380334.db2.gz RQLDCYDERMFSBO-HNNXBMFYSA-N 1 0 390.265 1.637 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884957494 657390380 /nfs/dbraw/zinc/39/03/80/657390380.db2.gz RCPXZMHIRNOIEG-UONOGXRCSA-N 1 0 385.917 1.913 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884957495 657390503 /nfs/dbraw/zinc/39/05/03/657390503.db2.gz RCPXZMHIRNOIEG-ZIAGYGMSSA-N 1 0 385.917 1.913 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C1 ZINC000884990866 657397342 /nfs/dbraw/zinc/39/73/42/657397342.db2.gz MKCYPTYMKGQPCU-JTQLQIEISA-N 1 0 375.803 1.626 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(Br)[nH]c2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000935153930 657407587 /nfs/dbraw/zinc/40/75/87/657407587.db2.gz BZUCEEBCRPXZMJ-GXTWGEPZSA-N 1 0 397.317 1.648 20 0 GDADRO O=C(NCc1ncc(Br)s1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000885032203 657411074 /nfs/dbraw/zinc/41/10/74/657411074.db2.gz VDSWJLXMELSDMQ-AWEZNQCLSA-N 1 0 387.303 1.124 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(-n3cccn3)cc2)C[C@H]1[NH+](C)C ZINC000885078264 657417109 /nfs/dbraw/zinc/41/71/09/657417109.db2.gz FUGIBOBZTRBOQS-SJORKVTESA-N 1 0 380.539 1.680 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1cc(Br)cnc1Br ZINC000935259765 657417946 /nfs/dbraw/zinc/41/79/46/657417946.db2.gz INVFSARTMBROAV-UHFFFAOYSA-N 1 0 395.095 1.915 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935261003 657418402 /nfs/dbraw/zinc/41/84/02/657418402.db2.gz XQAJQILIJIJIOZ-ZDUSSCGKSA-N 1 0 384.274 1.569 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000885102497 657419760 /nfs/dbraw/zinc/41/97/60/657419760.db2.gz RXYGQNLVIMHGKH-CYBMUJFWSA-N 1 0 394.313 1.665 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCc1sccc1Br)C2 ZINC000885209810 657428736 /nfs/dbraw/zinc/42/87/36/657428736.db2.gz BJXXHBJAOSMIFY-ZUZCIYMTSA-N 1 0 386.315 1.509 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc2c(Br)cnn2c1 ZINC000935446056 657434186 /nfs/dbraw/zinc/43/41/86/657434186.db2.gz PRUOWLVZQQWQKV-CYBMUJFWSA-N 1 0 394.317 1.853 20 0 GDADRO CN(Cc1ccc(F)c(Cl)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885286468 657439643 /nfs/dbraw/zinc/43/96/43/657439643.db2.gz XUXASTQALXXQOC-LLVKDONJSA-N 1 0 377.794 1.799 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2nc(Br)c3ccccn32)C1 ZINC000935679438 657466521 /nfs/dbraw/zinc/46/65/21/657466521.db2.gz JEECBOXAIRSXHA-MRXNPFEDSA-N 1 0 381.274 1.626 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)c2nccnc2c1 ZINC000935843751 657499606 /nfs/dbraw/zinc/49/96/06/657499606.db2.gz VGLVXIHRALYRHV-CYBMUJFWSA-N 1 0 390.285 1.512 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1nc(C2CC2)ncc1Br ZINC000935844054 657500879 /nfs/dbraw/zinc/50/08/79/657500879.db2.gz YUGHNXWLCGRVFJ-LBPRGKRZSA-N 1 0 380.290 1.236 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(Br)cnc1Br ZINC000935981019 657534614 /nfs/dbraw/zinc/53/46/14/657534614.db2.gz NXLWWFMCFVONMC-QMMMGPOBSA-N 1 0 381.068 1.259 20 0 GDADRO O=C(c1ccc2c(Br)cnn2c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000935987463 657536236 /nfs/dbraw/zinc/53/62/36/657536236.db2.gz WYIJACZVSATMPG-STQMWFEESA-N 1 0 379.258 1.378 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)s1 ZINC000956873163 657569341 /nfs/dbraw/zinc/56/93/41/657569341.db2.gz QVNQXHSSVRNJRV-RRFJBIMHSA-N 1 0 385.555 1.809 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(F)c1OC ZINC000886116439 657592546 /nfs/dbraw/zinc/59/25/46/657592546.db2.gz IKNFEQXJGUFMMO-CYBMUJFWSA-N 1 0 375.466 1.203 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCn2ncc(I)c2C1 ZINC000886200021 657616319 /nfs/dbraw/zinc/61/63/19/657616319.db2.gz UOLHMQRTPLTGPT-LBPRGKRZSA-N 1 0 388.253 1.704 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2scnc2Cl)C3)C1 ZINC000996597665 657628867 /nfs/dbraw/zinc/62/88/67/657628867.db2.gz YOCQSUSJPUNUFM-NDBYEHHHSA-N 1 0 382.917 2.000 20 0 GDADRO COc1sc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)cc1Br ZINC000886283740 657635493 /nfs/dbraw/zinc/63/54/93/657635493.db2.gz FWWIWJXWKPKSGN-UHFFFAOYSA-N 1 0 398.286 1.593 20 0 GDADRO NC(=O)[C@@H]1C[NH+](Cc2cc(Br)c3ccccc3c2)C[C@H]1C(N)=O ZINC000886284293 657635657 /nfs/dbraw/zinc/63/56/57/657635657.db2.gz SOVHRSGFEKDMCW-ZIAGYGMSSA-N 1 0 376.254 1.621 20 0 GDADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000886294655 657640359 /nfs/dbraw/zinc/64/03/59/657640359.db2.gz DXSKZHHREHGFQJ-SKDRFNHKSA-N 1 0 376.272 1.743 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000886319892 657642160 /nfs/dbraw/zinc/64/21/60/657642160.db2.gz SMYJKFVFTJTZAC-KGLIPLIRSA-N 1 0 375.535 1.836 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000886887856 657718254 /nfs/dbraw/zinc/71/82/54/657718254.db2.gz JRKDIMGVAUYSPR-GHMZBOCLSA-N 1 0 395.319 1.878 20 0 GDADRO Cc1sc(Cl)nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001004643344 657719066 /nfs/dbraw/zinc/71/90/66/657719066.db2.gz UHZRRGMMJAVDSI-LPWJVIDDSA-N 1 0 382.917 1.918 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000886890950 657719940 /nfs/dbraw/zinc/71/99/40/657719940.db2.gz ZNMGHWYACCTDQV-LBPRGKRZSA-N 1 0 376.320 1.888 20 0 GDADRO [NH3+]CCN(Cc1cccc(Cl)c1)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000886894450 657720994 /nfs/dbraw/zinc/72/09/94/657720994.db2.gz PCELBSKLLWSGJX-UHFFFAOYSA-N 1 0 380.919 1.008 20 0 GDADRO COCCOc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000886896607 657722685 /nfs/dbraw/zinc/72/26/85/657722685.db2.gz OUVXRYWJSNLQQG-ZDUSSCGKSA-N 1 0 378.441 1.543 20 0 GDADRO CCOC(=O)Cc1cccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886897815 657724036 /nfs/dbraw/zinc/72/40/36/657724036.db2.gz IVFSUZVSQWCAQY-CYBMUJFWSA-N 1 0 376.425 1.315 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000886898402 657725457 /nfs/dbraw/zinc/72/54/57/657725457.db2.gz ZTKOYQYIKBVIKZ-SECBINFHSA-N 1 0 384.832 1.880 20 0 GDADRO CCN(C(=O)C(=O)Nc1ccc(F)c(Br)c1F)[C@@H]1CC[NH2+]C1 ZINC000887007924 657737008 /nfs/dbraw/zinc/73/70/08/657737008.db2.gz WDJWHYXSIJZCCI-MRVPVSSYSA-N 1 0 376.201 1.876 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)Nc1ccccc1Br ZINC000887032556 657740384 /nfs/dbraw/zinc/74/03/84/657740384.db2.gz DGALJSCYPZPIFL-VIFPVBQESA-N 1 0 376.201 1.749 20 0 GDADRO Cn1ncc(NC(=O)C(C)(C)C[NH+]2CCOCC2)c1I ZINC000887063893 657744471 /nfs/dbraw/zinc/74/44/71/657744471.db2.gz SLTBQCGGQVBZIW-UHFFFAOYSA-N 1 0 392.241 1.322 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cscc3Cl)C[C@H]2O)CC[N@@H+]1C ZINC001023980401 657745570 /nfs/dbraw/zinc/74/55/70/657745570.db2.gz MBHJELVHPBNCSP-CJYSPXJISA-N 1 0 385.917 1.433 20 0 GDADRO CCN(C(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000887068814 657748171 /nfs/dbraw/zinc/74/81/71/657748171.db2.gz RZNRLRQNPZNPEP-GFCCVEGCSA-N 1 0 386.265 1.757 20 0 GDADRO CNC(=O)C1([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000887091156 657754360 /nfs/dbraw/zinc/75/43/60/657754360.db2.gz BGXIZHRXCKSOGZ-ZDUSSCGKSA-N 1 0 377.268 1.618 20 0 GDADRO [NH3+][C@H]1CCCN(Cc2cn(-c3cccc(I)c3)nn2)C1 ZINC000887409772 657781200 /nfs/dbraw/zinc/78/12/00/657781200.db2.gz WOODDUSFBGNYIF-LBPRGKRZSA-N 1 0 383.237 1.795 20 0 GDADRO CS(=O)(=O)c1ccc(-c2nc(-c3cn(CC4C[NH2+]C4)nn3)cs2)cc1 ZINC000887452121 657784308 /nfs/dbraw/zinc/78/43/08/657784308.db2.gz ZTKAAXFYBJYYMG-UHFFFAOYSA-N 1 0 375.479 1.692 20 0 GDADRO CSCCNc1nc(-c2cn(CCN3CC[NH+](C)CC3)nn2)c(C)s1 ZINC000887506224 657787376 /nfs/dbraw/zinc/78/73/76/657787376.db2.gz SWCHGKYRBYWWCQ-UHFFFAOYSA-N 1 0 381.575 1.732 20 0 GDADRO C[N@H+](CCO)CCNC(=O)Nc1cccc(F)c1I ZINC000887925194 657849437 /nfs/dbraw/zinc/84/94/37/657849437.db2.gz KAQIVMKBTAEQNL-UHFFFAOYSA-N 1 0 381.189 1.476 20 0 GDADRO COc1cc(NC(=O)NCC[N@H+](C)CCO)cc(OC)c1Br ZINC000887950344 657851453 /nfs/dbraw/zinc/85/14/53/657851453.db2.gz OBMQULJZXPBKOD-UHFFFAOYSA-N 1 0 376.251 1.512 20 0 GDADRO C[N@H+](CCO)CCNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000887999401 657854661 /nfs/dbraw/zinc/85/46/61/657854661.db2.gz APDBRYWEXLZJEO-UHFFFAOYSA-N 1 0 396.289 1.740 20 0 GDADRO O=C(c1cnn2cccc(Br)c12)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889738730 658024241 /nfs/dbraw/zinc/02/42/41/658024241.db2.gz BMSWQMSYMWTMBA-HUUCEWRRSA-N 1 0 393.285 1.768 20 0 GDADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889755387 658031857 /nfs/dbraw/zinc/03/18/57/658031857.db2.gz GEBCSSTXRDZFBO-QWHCGFSZSA-N 1 0 384.274 1.150 20 0 GDADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889774048 658036696 /nfs/dbraw/zinc/03/66/96/658036696.db2.gz MAXBVVUJBGJZNC-ZIAGYGMSSA-N 1 0 397.269 1.849 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000889816666 658055827 /nfs/dbraw/zinc/05/58/27/658055827.db2.gz MBGZGASSTPCXKH-OLZOCXBDSA-N 1 0 381.274 1.696 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCc1cc(Br)c3c(c1)OCCO3)C2 ZINC000891443713 658240258 /nfs/dbraw/zinc/24/02/58/658240258.db2.gz DMTNTFHMHJHGGS-YVEFUNNKSA-N 1 0 396.285 1.971 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)NC2CCN(CC(F)(F)F)CC2)C[C@@H]1C(F)(F)F ZINC000891471989 658242738 /nfs/dbraw/zinc/24/27/38/658242738.db2.gz MQAVGXBCTFSFJT-ONGXEEELSA-N 1 0 376.345 1.792 20 0 GDADRO O=C(NCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000891486094 658244890 /nfs/dbraw/zinc/24/48/90/658244890.db2.gz XZWAJFPFSSZRCZ-GASCZTMLSA-N 1 0 395.301 1.715 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2C[C@H]([NH3+])C[C@H]2C)s1 ZINC000891515226 658247113 /nfs/dbraw/zinc/24/71/13/658247113.db2.gz LUNFMPCWPRENTD-CHWSQXEVSA-N 1 0 388.559 1.452 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000891593814 658253184 /nfs/dbraw/zinc/25/31/84/658253184.db2.gz MPNNVDURGPXAKW-JOYOIKCWSA-N 1 0 379.262 1.865 20 0 GDADRO C[C@@]1(Br)C[C@@H]1C[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000891625881 658256349 /nfs/dbraw/zinc/25/63/49/658256349.db2.gz FCCABYZSQNCLEQ-RHSMWYFYSA-N 1 0 386.334 1.596 20 0 GDADRO CN(C1CC[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1)S(C)(=O)=O ZINC000891815539 658276181 /nfs/dbraw/zinc/27/61/81/658276181.db2.gz PNKWNJRVCZEIQU-OKILXGFUSA-N 1 0 375.535 1.646 20 0 GDADRO O=C(NCc1c(Br)cncc1Br)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891929817 658284114 /nfs/dbraw/zinc/28/41/14/658284114.db2.gz OZGQGTSHCSPPRS-YUMQZZPRSA-N 1 0 390.079 1.862 20 0 GDADRO CN1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)CC[N@H+](C)CC1 ZINC000891940106 658286069 /nfs/dbraw/zinc/28/60/69/658286069.db2.gz CWPRMNQMZWKKRY-UHFFFAOYSA-N 1 0 389.331 1.689 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@H]1CCNC1=O ZINC000891985635 658288923 /nfs/dbraw/zinc/28/89/23/658288923.db2.gz IESCDTVIPGFVJI-GFCCVEGCSA-N 1 0 397.317 1.912 20 0 GDADRO CSc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCO)cc1Br ZINC000892211285 658308653 /nfs/dbraw/zinc/30/86/53/658308653.db2.gz VIPDZULFGHSTIQ-UHFFFAOYSA-N 1 0 390.303 1.150 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCNC(=O)c3ccc(Br)cc3)[C@H]2C1 ZINC000892227656 658311173 /nfs/dbraw/zinc/31/11/73/658311173.db2.gz JKRMHXBCCRQEKJ-HIFRSBDPSA-N 1 0 395.301 1.524 20 0 GDADRO [NH3+]C1(CNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CCOCC1 ZINC000892277983 658315010 /nfs/dbraw/zinc/31/50/10/658315010.db2.gz ZXTCIMXUKDPTPV-NWANDNLSSA-N 1 0 380.286 1.894 20 0 GDADRO C[C@@H]1[C@H](C)N(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)[C@@H](C)C[N@@H+]1C ZINC000892354160 658320169 /nfs/dbraw/zinc/32/01/69/658320169.db2.gz QZGJLVROUPKRFQ-RFQIPJPRSA-N 1 0 385.555 1.527 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000892361482 658321524 /nfs/dbraw/zinc/32/15/24/658321524.db2.gz ZQUJJCXBDMYJMO-MFKMUULPSA-N 1 0 398.305 1.737 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)NCc3cc(Br)c4c(c3)OCCO4)C[C@H]2C1 ZINC000892363927 658321687 /nfs/dbraw/zinc/32/16/87/658321687.db2.gz IOLZBXLCXXATDE-BETUJISGSA-N 1 0 396.285 1.923 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000892431472 658326305 /nfs/dbraw/zinc/32/63/05/658326305.db2.gz QKBVOTQXRYVPON-YRGRVCCFSA-N 1 0 385.452 1.478 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000892557942 658333176 /nfs/dbraw/zinc/33/31/76/658333176.db2.gz FMIQJJGQWSDODF-AOOOYVTPSA-N 1 0 378.424 1.516 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000892693088 658343293 /nfs/dbraw/zinc/34/32/93/658343293.db2.gz BHEIMUXWTKCKEJ-GXFFZTMASA-N 1 0 398.305 1.737 20 0 GDADRO NS(=O)(=O)c1ccc(Cl)nc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000892761535 658348046 /nfs/dbraw/zinc/34/80/46/658348046.db2.gz UVZWRAFHJFIAKW-UHFFFAOYSA-N 1 0 388.921 1.464 20 0 GDADRO CN(CC(=O)N[C@]1(C)C[NH+]2CCC1CC2)C(=O)c1ccc(Br)o1 ZINC000892792013 658350412 /nfs/dbraw/zinc/35/04/12/658350412.db2.gz MRDPBEHKNMGFOO-MRXNPFEDSA-N 1 0 384.274 1.715 20 0 GDADRO COCCNS(=O)(=O)c1cccc(C[NH2+]C[C@@H]2C[C@@]2(C)Br)c1 ZINC000892989428 658365669 /nfs/dbraw/zinc/36/56/69/658365669.db2.gz PFAZSOVFXWDSTR-DZGCQCFKSA-N 1 0 391.331 1.874 20 0 GDADRO O=S(=O)(Cc1ccon1)NCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000893098072 658377737 /nfs/dbraw/zinc/37/77/37/658377737.db2.gz FIYFZQGOVFDHQK-UHFFFAOYSA-N 1 0 384.405 1.445 20 0 GDADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1 ZINC000893359919 658397243 /nfs/dbraw/zinc/39/72/43/658397243.db2.gz FFZQNFVWSHRWKL-LYSZQXJVSA-N 1 0 386.539 1.299 20 0 GDADRO O=C(NCc1ncc(Br)cn1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000893744692 658441152 /nfs/dbraw/zinc/44/11/52/658441152.db2.gz XHHHNBBZXDKSGJ-UONOGXRCSA-N 1 0 398.305 1.416 20 0 GDADRO CN(CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)S(=O)(=O)c1cccs1 ZINC000893770422 658446349 /nfs/dbraw/zinc/44/63/49/658446349.db2.gz UVCGRVWHYILHGM-ZIAGYGMSSA-N 1 0 386.543 1.247 20 0 GDADRO C[NH+](C)Cc1ccc(CN2CCCS(=O)(=O)CC2)c2c1OC(F)(F)O2 ZINC000894020478 658493529 /nfs/dbraw/zinc/49/35/29/658493529.db2.gz NXAFJDGZGWPCGP-UHFFFAOYSA-N 1 0 376.425 1.690 20 0 GDADRO CC(C)OCC[NH+]1CCN(Cc2c(I)cnn2C)CC1 ZINC000894043108 658499008 /nfs/dbraw/zinc/49/90/08/658499008.db2.gz NZOQQBUICCREMF-UHFFFAOYSA-N 1 0 392.285 1.567 20 0 GDADRO Cn1ncc(I)c1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000894054072 658499936 /nfs/dbraw/zinc/49/99/36/658499936.db2.gz QQVJMFWGDIGONH-GFCCVEGCSA-N 1 0 390.269 1.179 20 0 GDADRO Cn1ncc(I)c1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000894054073 658500518 /nfs/dbraw/zinc/50/05/18/658500518.db2.gz QQVJMFWGDIGONH-LBPRGKRZSA-N 1 0 390.269 1.179 20 0 GDADRO C[C@H]([NH2+]C/C=C\CNC(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000894121632 658509398 /nfs/dbraw/zinc/50/93/98/658509398.db2.gz VWESGVMLDBEOBK-AFNCTOJWSA-N 1 0 375.535 1.717 20 0 GDADRO CC(C)[C@@H](C[NH2+]Cc1c(I)cnn1C)N1CCOCC1 ZINC000894160722 658513797 /nfs/dbraw/zinc/51/37/97/658513797.db2.gz NMSIKDDQPKEFDN-CYBMUJFWSA-N 1 0 392.285 1.471 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2nc(Br)nn2C)CC1 ZINC000894376913 658548086 /nfs/dbraw/zinc/54/80/86/658548086.db2.gz WMBBIPUNWPOOPA-UHFFFAOYSA-N 1 0 394.339 1.117 20 0 GDADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2ncc(Br)cc2O)NC(=O)NC1=O ZINC000894417391 658553275 /nfs/dbraw/zinc/55/32/75/658553275.db2.gz LXOBAIYEQWPIDU-BONVTDFDSA-N 1 0 383.246 1.502 20 0 GDADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2ncc(Br)cc2O)NC(=O)NC1=O ZINC000894417393 658554348 /nfs/dbraw/zinc/55/43/48/658554348.db2.gz LXOBAIYEQWPIDU-ZUZCIYMTSA-N 1 0 383.246 1.502 20 0 GDADRO Cc1ncc(I)c(N2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000894464063 658563234 /nfs/dbraw/zinc/56/32/34/658563234.db2.gz HKAMNUIVAWPLMY-CYBMUJFWSA-N 1 0 376.242 1.283 20 0 GDADRO C[C@H]1C[N@H+](CCCNCc2c(I)cnn2C)CCCO1 ZINC000894567588 658584183 /nfs/dbraw/zinc/58/41/83/658584183.db2.gz VWHDGAJRVVPNAY-LBPRGKRZSA-N 1 0 392.285 1.615 20 0 GDADRO OCCOC1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCOCC1 ZINC000894672894 658596020 /nfs/dbraw/zinc/59/60/20/658596020.db2.gz KUKZLDNMLAQKFR-UHFFFAOYSA-N 1 0 391.921 1.281 20 0 GDADRO C[NH+](C)Cc1ccc(CN2CC[C@H](S(C)(=O)=O)C2)c2c1OC(F)(F)O2 ZINC000894670367 658596086 /nfs/dbraw/zinc/59/60/86/658596086.db2.gz IUIWNWUFPIREPJ-ZDUSSCGKSA-N 1 0 376.425 1.689 20 0 GDADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000894681710 658596908 /nfs/dbraw/zinc/59/69/08/658596908.db2.gz IRKKCNWAWXNUQX-CQSZACIVSA-N 1 0 391.287 1.047 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000894868811 658628800 /nfs/dbraw/zinc/62/88/00/658628800.db2.gz HXWMONQMQQYRPD-LBPRGKRZSA-N 1 0 389.212 1.857 20 0 GDADRO CC1CC[NH+](CCCNC(=O)c2c[nH]nc2I)CC1 ZINC000895489958 658704269 /nfs/dbraw/zinc/70/42/69/658704269.db2.gz ILLLEIYDZRLUEI-UHFFFAOYSA-N 1 0 376.242 1.866 20 0 GDADRO COC(=O)[C@@]1(C[NH2+]Cc2cc(Cl)cc3cccnc32)C[C@@H]1S(C)(=O)=O ZINC000895508584 658705371 /nfs/dbraw/zinc/70/53/71/658705371.db2.gz ITHILNYKSAHQIS-WMLDXEAASA-N 1 0 382.869 1.954 20 0 GDADRO O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000895540120 658709645 /nfs/dbraw/zinc/70/96/45/658709645.db2.gz SAUVQQJNRMGFQQ-KRWDZBQOSA-N 1 0 383.539 1.503 20 0 GDADRO O=S(=O)(c1ccnc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1)N1CCCC1 ZINC000895570703 658711589 /nfs/dbraw/zinc/71/15/89/658711589.db2.gz WUALZZZIOJOVKT-HOTGVXAUSA-N 1 0 382.555 1.858 20 0 GDADRO NS(=O)(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c2ncccc12 ZINC000895572386 658712473 /nfs/dbraw/zinc/71/24/73/658712473.db2.gz USFRSTAKFQNKAD-DZGCQCFKSA-N 1 0 378.523 1.874 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000895944136 658741184 /nfs/dbraw/zinc/74/11/84/658741184.db2.gz NFABQFXCJNYKRV-SNVBAGLBSA-N 1 0 376.242 1.783 20 0 GDADRO CC(C)(C)OC(=O)NCCN1CCC([NH2+][C@H]2CS(=O)(=O)C2(C)C)CC1 ZINC000895986917 658743618 /nfs/dbraw/zinc/74/36/18/658743618.db2.gz ZVBMDSMKGAJKKA-AWEZNQCLSA-N 1 0 375.535 1.141 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)NCc1cc(F)c(Br)cc1F ZINC000895998375 658744505 /nfs/dbraw/zinc/74/45/05/658744505.db2.gz YFBFJJDWBHQFSX-UHFFFAOYSA-N 1 0 392.244 1.983 20 0 GDADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1C ZINC000896052261 658747090 /nfs/dbraw/zinc/74/70/90/658747090.db2.gz RUWNBTKBXMGAPF-OTYXRUKQSA-N 1 0 375.288 1.930 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@]2(CO)COCCN2C)cc1Br ZINC000896462702 658781059 /nfs/dbraw/zinc/78/10/59/658781059.db2.gz XPWODRBUTVAITD-INIZCTEOSA-N 1 0 387.274 1.018 20 0 GDADRO CO[C@H](C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C)c1ccccc1Br ZINC000896534961 658785889 /nfs/dbraw/zinc/78/58/89/658785889.db2.gz XHCAQGCJYMEYDF-WQVCFCJDSA-N 1 0 384.318 1.887 20 0 GDADRO C[C@@H](NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1C[N@H+](C)CCN1C ZINC000896567221 658790770 /nfs/dbraw/zinc/79/07/70/658790770.db2.gz ZMPLEJDJOWYRQU-IAQYHMDHSA-N 1 0 384.311 1.934 20 0 GDADRO C[C@@H](NC(=O)c1cccc(I)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896581933 658791901 /nfs/dbraw/zinc/79/19/01/658791901.db2.gz UFYJHVCSQGNNDE-RISCZKNCSA-N 1 0 387.265 1.655 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000896898719 658813392 /nfs/dbraw/zinc/81/33/92/658813392.db2.gz VXIMHMRONWLDEL-CYBMUJFWSA-N 1 0 398.349 1.595 20 0 GDADRO O=C(N[C@H](CO)c1cccc(Br)c1)C1C[NH+](C2CCOCC2)C1 ZINC000897329688 658843347 /nfs/dbraw/zinc/84/33/47/658843347.db2.gz SANRDRHCNCFUTD-MRXNPFEDSA-N 1 0 383.286 1.710 20 0 GDADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000897345679 658844930 /nfs/dbraw/zinc/84/49/30/658844930.db2.gz LRQGXYYFLCUIAZ-QLFBSQMISA-N 1 0 379.551 1.823 20 0 GDADRO Cn1cc(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(Br)n1 ZINC000897381478 658848202 /nfs/dbraw/zinc/84/82/02/658848202.db2.gz WAEXOYJARZNFGJ-UHFFFAOYSA-N 1 0 398.349 1.672 20 0 GDADRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2nc(Br)nn2C)CCOCC1 ZINC000897741798 658885539 /nfs/dbraw/zinc/88/55/39/658885539.db2.gz VKRJXRXHCPYIHY-SNVBAGLBSA-N 1 0 375.267 1.416 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897844654 658894603 /nfs/dbraw/zinc/89/46/03/658894603.db2.gz UHRJRBWWNGXSPC-HGUCGXETSA-N 1 0 383.286 1.965 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000897940105 658902113 /nfs/dbraw/zinc/90/21/13/658902113.db2.gz ZMUKWVCCHSWYRC-SNVBAGLBSA-N 1 0 376.242 1.877 20 0 GDADRO O=C(NC[C@H](O)c1ccccc1Br)C1C[NH+](C2CCOCC2)C1 ZINC000897942755 658902542 /nfs/dbraw/zinc/90/25/42/658902542.db2.gz JPMSMQOFOGZCPC-INIZCTEOSA-N 1 0 383.286 1.710 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C(F)(F)c1ncccc1Br ZINC000898067525 658913330 /nfs/dbraw/zinc/91/33/30/658913330.db2.gz GKSKWUCLTPCSRW-CYBMUJFWSA-N 1 0 380.233 1.755 20 0 GDADRO O=c1cc(N2CC[C@H](NCc3nc4ccccn4c3Br)C2)nc[nH]1 ZINC000898152979 658917809 /nfs/dbraw/zinc/91/78/09/658917809.db2.gz QZKGCFSCVVODRH-NSHDSACASA-N 1 0 389.257 1.961 20 0 GDADRO COc1nsc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)c1Br ZINC000898326500 658926806 /nfs/dbraw/zinc/92/68/06/658926806.db2.gz QAAWLSTZBUAHHW-UHFFFAOYSA-N 1 0 375.248 1.356 20 0 GDADRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2cc(Br)cnc2OC)C1 ZINC000898347998 658927766 /nfs/dbraw/zinc/92/77/66/658927766.db2.gz CCRKFECQOHOGEI-WCQYABFASA-N 1 0 388.262 1.392 20 0 GDADRO Cn1nc2c(c1C[NH2+][C@@H]1CCN(c3cn[nH]c(=O)c3Cl)C1)CSCC2 ZINC000898372641 658929102 /nfs/dbraw/zinc/92/91/02/658929102.db2.gz UZOZRMIWLFUMFD-SNVBAGLBSA-N 1 0 380.905 1.727 20 0 GDADRO C[C@H]1CN(C(=O)NCc2ncc(Br)cn2)CC[N@@H+]1CC(C)(C)O ZINC000898392630 658932443 /nfs/dbraw/zinc/93/24/43/658932443.db2.gz VPABPTSKUMXXGL-NSHDSACASA-N 1 0 386.294 1.226 20 0 GDADRO O=C(c1cc(S(=O)(=O)N2CCC2)ccc1Cl)N1CC([NH+]2CCCC2)C1 ZINC000898610297 658942204 /nfs/dbraw/zinc/94/22/04/658942204.db2.gz XEEOGNCRCAPDAC-UHFFFAOYSA-N 1 0 383.901 1.655 20 0 GDADRO COC(=O)CCCN1CCC([NH2+][C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898723562 658952579 /nfs/dbraw/zinc/95/25/79/658952579.db2.gz GIBLRIXIMKZVRG-CQSZACIVSA-N 1 0 399.333 1.968 20 0 GDADRO COC(=O)c1sccc1N1C(=O)C[C@H]([N@@H+]2C[C@@H]3CSC[C@]3(C)C2)C1=O ZINC000899256744 658999994 /nfs/dbraw/zinc/99/99/94/658999994.db2.gz WZOLITUBAHOKPH-MOCULFSLSA-N 1 0 380.491 1.852 20 0 GDADRO C[NH+]1CCC(NC(=S)N2CCC(S(=O)(=O)N3CCCCC3)CC2)CC1 ZINC000899608763 659035584 /nfs/dbraw/zinc/03/55/84/659035584.db2.gz VMFTUQUPUYGPKB-UHFFFAOYSA-N 1 0 388.603 1.235 20 0 GDADRO C[NH+](C)CCCNC(=S)N1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000899725957 659054980 /nfs/dbraw/zinc/05/49/80/659054980.db2.gz VDHXSTVIKUHKER-DGCLKSJQSA-N 1 0 387.493 1.254 20 0 GDADRO O=S1(=O)CC[C@@H](c2nc(-c3cn(C[C@H]4CCCC[NH2+]C4)nn3)cs2)C1 ZINC000899755770 659059164 /nfs/dbraw/zinc/05/91/64/659059164.db2.gz YNGPKEQDJZGWHI-QWHCGFSZSA-N 1 0 381.527 1.693 20 0 GDADRO O=C(N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C12CC[NH+](CC1)C2 ZINC000899942368 659071408 /nfs/dbraw/zinc/07/14/08/659071408.db2.gz HKCKVUGTDGGOPR-UHFFFAOYSA-N 1 0 383.901 1.269 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1nc(Br)c(Br)n1 ZINC000900010433 659083262 /nfs/dbraw/zinc/08/32/62/659083262.db2.gz YQIGEFPEDZWQGA-QMMMGPOBSA-N 1 0 395.099 1.404 20 0 GDADRO C[NH+](C)C[C@@H]1NC(=O)N(c2ncn(Cc3cccc(Br)c3)n2)C1=O ZINC000900230991 659093580 /nfs/dbraw/zinc/09/35/80/659093580.db2.gz FQDUHEICJNOWCO-LBPRGKRZSA-N 1 0 393.245 1.075 20 0 GDADRO C[NH+](C)C[C@@H]1NC(=O)N(c2ncn(Cc3ccc(Br)cc3)n2)C1=O ZINC000900232805 659094029 /nfs/dbraw/zinc/09/40/29/659094029.db2.gz YITVDRKODRBEKT-LBPRGKRZSA-N 1 0 393.245 1.075 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000900272100 659097024 /nfs/dbraw/zinc/09/70/24/659097024.db2.gz IYDUPGWHMMOSFT-MRXNPFEDSA-N 1 0 384.274 1.351 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900464231 659110471 /nfs/dbraw/zinc/11/04/71/659110471.db2.gz JGNXXMLUMIXNFZ-GUYCJALGSA-N 1 0 398.301 1.657 20 0 GDADRO C[NH+](C)C1CCN(C(=O)Cn2nc(Br)c(Br)n2)CC1 ZINC000900633507 659129226 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C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000901069479 659185776 /nfs/dbraw/zinc/18/57/76/659185776.db2.gz MVSQEGICZHTVFR-SJCJKPOMSA-N 1 0 391.295 1.696 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000901077823 659186750 /nfs/dbraw/zinc/18/67/50/659186750.db2.gz OYNROLQSIDHAOH-CYBMUJFWSA-N 1 0 385.306 1.992 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000901136408 659195322 /nfs/dbraw/zinc/19/53/22/659195322.db2.gz XEQWDHYNJQANLR-WDEREUQCSA-N 1 0 388.253 1.879 20 0 GDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cn1nc(Br)c(Br)n1 ZINC000901307864 659209037 /nfs/dbraw/zinc/20/90/37/659209037.db2.gz OHMJQEFVSHZECL-HTQZYQBOSA-N 1 0 395.099 1.354 20 0 GDADRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCc4ncc(Br)n4C3)C2=O)cn1 ZINC000901729550 659231266 /nfs/dbraw/zinc/23/12/66/659231266.db2.gz RXEFGCOAPFOQIQ-PWSUYJOCSA-N 1 0 379.262 1.089 20 0 GDADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cn1nnn(Cc2cccs2)c1=S ZINC000902641956 659269557 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GDADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903510848 659321299 /nfs/dbraw/zinc/32/12/99/659321299.db2.gz MJZWSDYLHXIUDT-JTQLQIEISA-N 1 0 391.287 1.678 20 0 GDADRO C[C@H]1CN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC[C@@H]1[NH3+] ZINC000903513635 659322856 /nfs/dbraw/zinc/32/28/56/659322856.db2.gz QKXNXNGBNPFJAS-CABZTGNLSA-N 1 0 391.287 1.677 20 0 GDADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1ccc(I)s1 ZINC000903516505 659324268 /nfs/dbraw/zinc/32/42/68/659324268.db2.gz QJPZAYHBLLTZIS-UHFFFAOYSA-N 1 0 398.291 1.997 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903518506 659326082 /nfs/dbraw/zinc/32/60/82/659326082.db2.gz QPQXLWPVNFCVJQ-VHSXEESVSA-N 1 0 391.287 1.677 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903523182 659328794 /nfs/dbraw/zinc/32/87/94/659328794.db2.gz WLIXGSSQWKHTBQ-KOLCDFICSA-N 1 0 391.287 1.819 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903525906 659330052 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CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903563900 659342121 /nfs/dbraw/zinc/34/21/21/659342121.db2.gz LGOALQABGLXEJB-FRRDWIJNSA-N 1 0 378.903 1.056 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)/C=C/c2ccccc2Br)CC1 ZINC000903565663 659343040 /nfs/dbraw/zinc/34/30/40/659343040.db2.gz AQVWUTVRHCNDNL-KPKJPENVSA-N 1 0 388.331 1.762 20 0 GDADRO Cc1csc(-c2ccc(S(=O)(=O)NCCN3CCC([NH3+])CC3)cc2)n1 ZINC000903565734 659343179 /nfs/dbraw/zinc/34/31/79/659343179.db2.gz OYTOMIHUWNFBOC-UHFFFAOYSA-N 1 0 380.539 1.820 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903568293 659344009 /nfs/dbraw/zinc/34/40/09/659344009.db2.gz UMBBWZXATLDRKA-CZMCAQCFSA-N 1 0 377.260 1.335 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1I ZINC000903569839 659344210 /nfs/dbraw/zinc/34/42/10/659344210.db2.gz RMSAKVIZEIABHY-MGCOHNPYSA-N 1 0 380.251 1.615 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C2 ZINC000903578696 659349520 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JFTSGUCVDCGHJX-IAQYHMDHSA-N 1 0 387.299 1.886 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000903590692 659356328 /nfs/dbraw/zinc/35/63/28/659356328.db2.gz YQAMIMTXHHUNKF-HZMBPMFUSA-N 1 0 380.438 1.185 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N(Cc2cccs2)C2CC2)CC[C@@H]1C(F)(F)F ZINC000903720454 659377851 /nfs/dbraw/zinc/37/78/51/659377851.db2.gz MZPLJEWIIPGDKX-QWHCGFSZSA-N 1 0 375.416 1.977 20 0 GDADRO CC[C@@H]1c2ccsc2CCN1C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903727257 659378074 /nfs/dbraw/zinc/37/80/74/659378074.db2.gz WZUCHXMMNAGBAM-IJLUTSLNSA-N 1 0 375.416 1.932 20 0 GDADRO O=S(=O)(CCN1CC[C@H](N2CC[NH2+]CC2)C1)c1nc2ccccc2s1 ZINC000903751486 659378729 /nfs/dbraw/zinc/37/87/29/659378729.db2.gz JSVPAUPEKBWBLO-AWEZNQCLSA-N 1 0 380.539 1.050 20 0 GDADRO CCN(CCc1nccs1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903754544 659379086 /nfs/dbraw/zinc/37/90/86/659379086.db2.gz KIQCDPFVIZCCSN-WDEREUQCSA-N 1 0 378.420 1.272 20 0 GDADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCS[C@H](C(F)(F)F)C2)C1 ZINC000903775839 659380157 /nfs/dbraw/zinc/38/01/57/659380157.db2.gz HCBIKAVFJAHKCX-XHDPSFHLSA-N 1 0 381.464 1.716 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)CC[C@@H]1[NH3+] ZINC000903791517 659380771 /nfs/dbraw/zinc/38/07/71/659380771.db2.gz GSXZGBLHMAXJHB-YGRLFVJLSA-N 1 0 398.276 1.669 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000903798198 659381207 /nfs/dbraw/zinc/38/12/07/659381207.db2.gz AVPJSBYWSVJZRL-WKXXDYOBSA-N 1 0 393.285 1.457 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)CC[C@H]1[NH3+] ZINC000903801206 659381485 /nfs/dbraw/zinc/38/14/85/659381485.db2.gz MXCZHXVJDHHCGF-DFBGVHRSSA-N 1 0 395.301 1.703 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000903970542 659391568 /nfs/dbraw/zinc/39/15/68/659391568.db2.gz YYQWYBFKAHZMMQ-QGZVFWFLSA-N 1 0 385.961 1.671 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(F)cc1I ZINC000904365330 659399809 /nfs/dbraw/zinc/39/98/09/659399809.db2.gz ZVMAYCMRMCEYEG-JTQLQIEISA-N 1 0 393.200 1.882 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000904418293 659400098 /nfs/dbraw/zinc/40/00/98/659400098.db2.gz ZBFGDVDMYYMKIC-GFCCVEGCSA-N 1 0 395.261 1.482 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000904418299 659400118 /nfs/dbraw/zinc/40/01/18/659400118.db2.gz ZBFGDVDMYYMKIC-LBPRGKRZSA-N 1 0 395.261 1.482 20 0 GDADRO COCCOc1ccc(NC(=O)NC[C@@H]2COCC[NH2+]2)cc1Br ZINC000904547193 659403810 /nfs/dbraw/zinc/40/38/10/659403810.db2.gz DAHCQIZUMJVQMP-GFCCVEGCSA-N 1 0 388.262 1.584 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905001407 659416115 /nfs/dbraw/zinc/41/61/15/659416115.db2.gz OLZKTYYRLLZLBM-GUYCJALGSA-N 1 0 380.286 1.747 20 0 GDADRO CN(Cc1ccc(Br)cc1F)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905010208 659416849 /nfs/dbraw/zinc/41/68/49/659416849.db2.gz UTLORSZFUTXOFV-SJKOYZFVSA-N 1 0 398.276 1.886 20 0 GDADRO C[C@@H](CN1CCCCC1)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905037592 659418306 /nfs/dbraw/zinc/41/83/06/659418306.db2.gz YTBHAJCJQOSARC-JKSUJKDBSA-N 1 0 375.579 1.452 20 0 GDADRO C[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905067178 659420261 /nfs/dbraw/zinc/42/02/61/659420261.db2.gz VOALTQJFKQGHMH-NEPJUHHUSA-N 1 0 390.468 1.545 20 0 GDADRO O[C@@H](C[NH2+]CCc1ccc(I)s1)C1(O)CCOCC1 ZINC000905085609 659421759 /nfs/dbraw/zinc/42/17/59/659421759.db2.gz XMLPARYPNKSYGJ-NSHDSACASA-N 1 0 397.278 1.387 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)N1CCSCC1 ZINC000905094431 659422635 /nfs/dbraw/zinc/42/26/35/659422635.db2.gz FHCHGPNHEFTKAX-AWEZNQCLSA-N 1 0 399.365 1.995 20 0 GDADRO CC[C@@H](CN1CCCC1)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905121642 659425775 /nfs/dbraw/zinc/42/57/75/659425775.db2.gz DJXWAVIONDJBLN-HOTGVXAUSA-N 1 0 375.579 1.452 20 0 GDADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1(O)CCC1 ZINC000905177811 659429825 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GDADRO O=S(=O)(CC1CC[NH2+]CC1)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000905337024 659443834 /nfs/dbraw/zinc/44/38/34/659443834.db2.gz WPMICMAANNVOJZ-UHFFFAOYSA-N 1 0 384.889 1.852 20 0 GDADRO O[C@H](C[NH2+]C[C@@H](O)CCC1(O)CCC1)COc1ccccc1Br ZINC000905367655 659448318 /nfs/dbraw/zinc/44/83/18/659448318.db2.gz LPNWKZQWNYVGQL-UONOGXRCSA-N 1 0 388.302 1.835 20 0 GDADRO OC[C@H](C[NH2+]C[C@H](O)C1(O)CCC1)Cc1cc(Br)ccc1F ZINC000905373941 659449029 /nfs/dbraw/zinc/44/90/29/659449029.db2.gz SXBKEBJUUPLPCK-NHYWBVRUSA-N 1 0 376.266 1.605 20 0 GDADRO O=c1[nH]c(=O)n(C2CC2)cc1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000905427423 659452744 /nfs/dbraw/zinc/45/27/44/659452744.db2.gz OACASYBNGWWDGH-CQSZACIVSA-N 1 0 380.242 1.870 20 0 GDADRO CN(CCO)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000905490433 659458869 /nfs/dbraw/zinc/45/88/69/659458869.db2.gz SDXHFNWYQOBZRE-LBPRGKRZSA-N 1 0 381.698 1.356 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905510425 659460591 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CCN1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000910719902 659981680 /nfs/dbraw/zinc/98/16/80/659981680.db2.gz BRQNFZRLKIGLGY-UKRRQHHQSA-N 1 0 395.301 1.718 20 0 GDADRO CCN1CC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000910719903 659981728 /nfs/dbraw/zinc/98/17/28/659981728.db2.gz BRQNFZRLKIGLGY-ZFWWWQNUSA-N 1 0 395.301 1.718 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000910953606 659989324 /nfs/dbraw/zinc/98/93/24/659989324.db2.gz SVSRRRDEQQNZMT-NSHDSACASA-N 1 0 387.311 1.710 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)c1ccc(Br)cn1 ZINC000910977342 659989979 /nfs/dbraw/zinc/98/99/79/659989979.db2.gz SDMUDQIXBYBASM-SJCJKPOMSA-N 1 0 395.301 1.766 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000911043318 659992381 /nfs/dbraw/zinc/99/23/81/659992381.db2.gz RMZYMTMZGJMNDZ-GXSJLCMTSA-N 1 0 388.693 1.962 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)C[C@H]1CC[NH3+] ZINC000911213019 659999099 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C[NH+](C)CC1(O)CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000913677806 660091964 /nfs/dbraw/zinc/09/19/64/660091964.db2.gz FROVPDMCCVUUBQ-OAHLLOKOSA-N 1 0 383.286 1.668 20 0 GDADRO CCOC(=O)CS[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C(F)(F)F ZINC000913766324 660096267 /nfs/dbraw/zinc/09/62/67/660096267.db2.gz AGNDIWSOPJJMSZ-RISCZKNCSA-N 1 0 386.436 1.177 20 0 GDADRO O=S(=O)(Cc1ccsc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000914016804 660110245 /nfs/dbraw/zinc/11/02/45/660110245.db2.gz IGQZUBBTWDEWPS-NEPJUHHUSA-N 1 0 395.344 1.793 20 0 GDADRO CC[N@@H+]1CCCN(S(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000914065749 660113378 /nfs/dbraw/zinc/11/33/78/660113378.db2.gz DRGRZHKCBHUUAQ-UHFFFAOYSA-N 1 0 375.535 1.313 20 0 GDADRO C[C@@H](CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1)N1CCOCC1 ZINC000914067115 660113696 /nfs/dbraw/zinc/11/36/96/660113696.db2.gz LJRSAJZLZNVHRO-JSGCOSHPSA-N 1 0 398.305 1.806 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)cc1F ZINC000914163022 660122206 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CCS(=O)(=O)N1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000379745254 677677043 /nfs/dbraw/zinc/67/70/43/677677043.db2.gz SQMFHSBAZJOWQO-UHFFFAOYSA-N 1 0 375.535 1.790 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000380982407 677677092 /nfs/dbraw/zinc/67/70/92/677677092.db2.gz DNRUHGPZMHUWHC-HNNXBMFYSA-N 1 0 377.551 1.342 20 0 GDADRO Cn1nnc(Br)c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000381878023 677677181 /nfs/dbraw/zinc/67/71/81/677677181.db2.gz NRHDIVBVQRKYQM-ZDUSSCGKSA-N 1 0 378.274 1.972 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000384017090 677677246 /nfs/dbraw/zinc/67/72/46/677677246.db2.gz LINNOJNTHFRWLR-OAHLLOKOSA-N 1 0 375.535 1.790 20 0 GDADRO Cc1nc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c(Br)n1C ZINC000385817524 677677378 /nfs/dbraw/zinc/67/73/78/677677378.db2.gz PWZYURKLTCZAKM-UHFFFAOYSA-N 1 0 379.324 1.501 20 0 GDADRO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)n1C ZINC000385829832 677677398 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376.791 1.327 20 0 GDADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C[C@@H]21 ZINC001164670377 719381092 /nfs/dbraw/zinc/38/10/92/719381092.db2.gz URQPGVKAUYDVFG-NKWVEPMBSA-N 1 0 375.647 1.899 20 0 GDADRO CC(C)N(C)Cc1nn(-c2cc(N3CCSCC3)ncn2)c2c1CC[NH2+]C2 ZINC001164679462 719648356 /nfs/dbraw/zinc/64/83/56/719648356.db2.gz BIPGIVHIDQOEJM-UHFFFAOYSA-N 1 0 387.557 1.701 20 0 GDADRO CNC(=O)c1cc(Cl)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680696 719652073 /nfs/dbraw/zinc/65/20/73/719652073.db2.gz HSAPFDWHDOQUSX-UHFFFAOYSA-N 1 0 377.880 1.161 20 0 GDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164686133 719701495 /nfs/dbraw/zinc/70/14/95/719701495.db2.gz XHOJZSXTHWGMBA-UHFFFAOYSA-N 1 0 381.864 1.097 20 0 GDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164686127 719713266 /nfs/dbraw/zinc/71/32/66/719713266.db2.gz XHKUPANLJVUZOW-UHFFFAOYSA-N 1 0 381.933 1.959 20 0 GDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nnc(Cl)c3c1N(C)CCO3)CC2 ZINC001164686751 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395.507 1.812 20 0 GDADRO CC(C)c1nccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164715964 720184652 /nfs/dbraw/zinc/18/46/52/720184652.db2.gz FTQNCWFVMDPQDK-KRWDZBQOSA-N 1 0 385.516 1.945 20 0 GDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(N3CCCC3)n2)CC1 ZINC001164817614 720284733 /nfs/dbraw/zinc/28/47/33/720284733.db2.gz DYLILMYIQXTYDA-OALUTQOASA-N 1 0 398.555 1.988 20 0 GDADRO COC(=O)c1cccnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823785 720301341 /nfs/dbraw/zinc/30/13/41/720301341.db2.gz PUBGXHPATZQIKQ-ZWKOTPCHSA-N 1 0 386.496 1.780 20 0 GDADRO COc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1OC ZINC001164832524 720317214 /nfs/dbraw/zinc/31/72/14/720317214.db2.gz UGQGFYFPQCOFGF-HZPDHXFCSA-N 1 0 389.500 1.405 20 0 GDADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)COc2cncc(Cl)n2)C1 ZINC001164734616 720525838 /nfs/dbraw/zinc/52/58/38/720525838.db2.gz RHWFYNVGOYTGRN-LBPRGKRZSA-N 1 0 386.834 1.992 20 0 GDADRO CC1(C)C(=O)Nc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c21 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CCOC(=O)Cc1ccnc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)c1 ZINC001164854599 720890148 /nfs/dbraw/zinc/89/01/48/720890148.db2.gz FSMNWRPMKOEJAR-QZTJIDSGSA-N 1 0 377.485 1.361 20 0 GDADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)nc(Cl)n1)CC2 ZINC001164748612 720949892 /nfs/dbraw/zinc/94/98/92/720949892.db2.gz AXJIUOXVOIJBOD-UHFFFAOYSA-N 1 0 386.243 1.021 20 0 GDADRO Cc1nc2ccc(F)cc2c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164749574 720950448 /nfs/dbraw/zinc/95/04/48/720950448.db2.gz HVBBJBRGYMCXCU-UHFFFAOYSA-N 1 0 398.442 1.919 20 0 GDADRO CCOC(=O)c1cccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164752124 720951299 /nfs/dbraw/zinc/95/12/99/720951299.db2.gz VCGIPLWRLYMUJF-UHFFFAOYSA-N 1 0 387.440 1.100 20 0 GDADRO C[NH+](C)CCNC(=O)c1noc2c1CN([C@@H](F)Oc1ccc(Cl)nn1)CC2 ZINC001164754878 720970147 /nfs/dbraw/zinc/97/01/47/720970147.db2.gz YYGSRKIQZZWFPK-MRXNPFEDSA-N 1 0 398.826 1.100 20 0 GDADRO C[NH+]1CCN(c2ccc(N3Cc4cncn4C[C@@H](COCC4CC4)C3)nn2)CC1 ZINC001164757108 720974084 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QXAJMDWFQIRXLA-IRXDYDNUSA-N 1 0 384.484 1.654 20 0 GDADRO CCOC(=O)Cc1ccc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164771744 721136176 /nfs/dbraw/zinc/13/61/76/721136176.db2.gz SUSQCZAKWQNRCV-RBUKOAKNSA-N 1 0 383.496 1.879 20 0 GDADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(C(=O)NC5CC5)cn4)C[C@H]3C2)cn1 ZINC001164772259 721143873 /nfs/dbraw/zinc/14/38/73/721143873.db2.gz UVLWQLXWOIQONG-QZTJIDSGSA-N 1 0 380.496 1.666 20 0 GDADRO CCNC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164879828 721165904 /nfs/dbraw/zinc/16/59/04/721165904.db2.gz UIDUNACKTYUOPU-IRXDYDNUSA-N 1 0 382.468 1.101 20 0 GDADRO Cc1nc(-n2cncn2)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164879853 721172698 /nfs/dbraw/zinc/17/26/98/721172698.db2.gz UQEWBVOQGPWJLW-MSOLQXFVSA-N 1 0 392.467 1.240 20 0 GDADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4ncn5C4CC4)C[C@@H]3C2)cn1 ZINC001164767747 721206582 /nfs/dbraw/zinc/20/65/82/721206582.db2.gz KMAXBMHRUJBRIO-HOTGVXAUSA-N 1 0 378.484 1.853 20 0 GDADRO C[NH+](C)Cc1ccnc(N2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)c1 ZINC001164874605 721323887 /nfs/dbraw/zinc/32/38/87/721323887.db2.gz CLIJLYINJYXGMO-XKGZKEIXSA-N 1 0 396.495 1.347 20 0 GDADRO O=C(c1cccnc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164781735 721417747 /nfs/dbraw/zinc/41/77/47/721417747.db2.gz DKRXZLSSNKWRNN-HZPDHXFCSA-N 1 0 398.536 1.152 20 0 GDADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nnc5ccccc5n4)C3)O2)CC1 ZINC001164899515 721439770 /nfs/dbraw/zinc/43/97/70/721439770.db2.gz YVGHBVOURQXGFK-LAUBAEHRSA-N 1 0 382.512 1.790 20 0 GDADRO COc1nc(Cl)nc(C)c1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794204 721513710 /nfs/dbraw/zinc/51/37/10/721513710.db2.gz KPCKKFKEZRDUJR-UHFFFAOYSA-N 1 0 391.907 1.411 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(-c4ccncc4)ncn2)CC3)CC1 ZINC001164796209 721519443 /nfs/dbraw/zinc/51/94/43/721519443.db2.gz YDSASNVCHBNNHX-UHFFFAOYSA-N 1 0 390.495 1.503 20 0 GDADRO NC(=O)c1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903971 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LUNHYNVOBNEGDE-UHFFFAOYSA-N 1 0 388.512 1.710 20 0 GDADRO CCOC(=O)c1cc(F)cnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165009086 721732100 /nfs/dbraw/zinc/73/21/00/721732100.db2.gz TZUFHUMTKRQPRK-UHFFFAOYSA-N 1 0 392.475 1.920 20 0 GDADRO CCOC(=O)c1cnc(C)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010120 721734847 /nfs/dbraw/zinc/73/48/47/721734847.db2.gz AZFHLCHTTGIRDE-UHFFFAOYSA-N 1 0 389.500 1.485 20 0 GDADRO CC(C)n1cnc2cnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc21 ZINC001165010485 721744963 /nfs/dbraw/zinc/74/49/63/721744963.db2.gz MVCSTLCEXHDHGR-UHFFFAOYSA-N 1 0 385.516 1.930 20 0 GDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(c5cccnc5)C(=O)[C@H]4C3)n2)CC1 ZINC001165019204 721791373 /nfs/dbraw/zinc/79/13/73/721791373.db2.gz JVPYIOVNCSCMJA-AEFFLSMTSA-N 1 0 378.480 1.328 20 0 GDADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164932521 721853492 /nfs/dbraw/zinc/85/34/92/721853492.db2.gz YQBXSYPOHFJRBF-STQMWFEESA-N 1 0 388.894 1.956 20 0 GDADRO 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721919658 /nfs/dbraw/zinc/91/96/58/721919658.db2.gz WRRYRWXUHPSJKD-MRXNPFEDSA-N 1 0 387.484 1.213 20 0 GDADRO COC(=O)c1nc2cnccc2c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056614 722014052 /nfs/dbraw/zinc/01/40/52/722014052.db2.gz YOLLBGGKSCBEBD-UHFFFAOYSA-N 1 0 378.436 1.571 20 0 GDADRO NC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164958880 722053307 /nfs/dbraw/zinc/05/33/07/722053307.db2.gz HJAPACZUIYQDNL-UHFFFAOYSA-N 1 0 382.468 1.090 20 0 GDADRO COC(=O)c1cc2c(OC)[nH]c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)cc-2n1 ZINC001164967075 722071734 /nfs/dbraw/zinc/07/17/34/722071734.db2.gz HDXHUHBTCNBMTQ-OKILXGFUSA-N 1 0 386.452 1.658 20 0 GDADRO CCOC(=O)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164983697 722108993 /nfs/dbraw/zinc/10/89/93/722108993.db2.gz ZABJEAAJBUWWNO-MJGOQNOKSA-N 1 0 397.479 1.776 20 0 GDADRO Cn1cnc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164981491 722112584 /nfs/dbraw/zinc/11/25/84/722112584.db2.gz UGWBNEMBEUQUKK-AEFFLSMTSA-N 1 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O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1C[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]2C1 ZINC001571265014 945497071 /nfs/dbraw/zinc/49/70/71/945497071.db2.gz BASFCGAAOWYQQC-OWCLPIDISA-N 1 0 385.472 1.158 20 0 GDADRO Cc1cc(N[C@H]2CCCCCN(C(=O)[C@@H]3CCOC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266674 945549147 /nfs/dbraw/zinc/54/91/47/945549147.db2.gz WLMWDCLEKVDAQN-CABCVRRESA-N 1 0 385.472 1.212 20 0 GDADRO CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@H](C(F)(F)F)C1 ZINC001571266936 945557658 /nfs/dbraw/zinc/55/76/58/945557658.db2.gz CVAOSDIRKSUCOP-DGCLKSJQSA-N 1 0 386.353 1.752 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)c3ncc(F)cc3F)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571267237 945564814 /nfs/dbraw/zinc/56/48/14/945564814.db2.gz NKSPVOYBUZZNOS-LLVKDONJSA-N 1 0 386.366 1.252 20 0 GDADRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)on1 ZINC001571267751 945577060 /nfs/dbraw/zinc/57/70/60/945577060.db2.gz DCVFLJIGOLPCDC-VXGBXAGGSA-N 1 0 386.416 1.022 20 0 GDADRO O=C(C1=COCCC1)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571269160 945614399 /nfs/dbraw/zinc/61/43/99/945614399.db2.gz QTINZJAHVOMYBE-INIZCTEOSA-N 1 0 386.431 1.781 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271582 945646529 /nfs/dbraw/zinc/64/65/29/945646529.db2.gz DXBFABUUIUCOKF-VXGBXAGGSA-N 1 0 386.485 1.160 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)[nH]n1 ZINC001571271695 945648677 /nfs/dbraw/zinc/64/86/77/945648677.db2.gz HLFSATVZKTYTCC-HAQNSBGRSA-N 1 0 386.485 1.791 20 0 GDADRO Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)s1 ZINC001571271777 945649703 /nfs/dbraw/zinc/64/97/03/945649703.db2.gz JGWBHJNTRNUYHY-ZIAGYGMSSA-N 1 0 386.485 1.791 20 0 GDADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C(C)(C)C ZINC001571271848 945651970 /nfs/dbraw/zinc/65/19/70/945651970.db2.gz KXLKZZUQROHTPN-PBHICJAKSA-N 1 0 386.500 1.866 20 0 GDADRO Cc1c(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cnn1C ZINC001571271907 945653967 /nfs/dbraw/zinc/65/39/67/945653967.db2.gz MJTVWDJPRQPDPU-LBPRGKRZSA-N 1 0 386.485 1.365 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[N@@H+]1CCc1ccns1 ZINC001571272124 945656141 /nfs/dbraw/zinc/65/61/41/945656141.db2.gz PZGKOTUEXOWTGE-RYUDHWBXSA-N 1 0 386.485 1.477 20 0 GDADRO C[NH+](C)CCC1CCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000821584911 945724657 /nfs/dbraw/zinc/72/46/57/945724657.db2.gz XTWWHYNZGTXKEY-OAHLLOKOSA-N 1 0 389.529 1.697 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1cc(F)c[nH]1 ZINC001571278326 945750396 /nfs/dbraw/zinc/75/03/96/945750396.db2.gz XWHVFIIOMPGJDO-AULYBMBSSA-N 1 0 387.394 1.771 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c2c[nH+]ccc21 ZINC000821628832 945759159 /nfs/dbraw/zinc/75/91/59/945759159.db2.gz RTQSNTYGFGSBTK-UHFFFAOYSA-N 1 0 375.389 1.046 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CN1C(=O)c1ccns1 ZINC001571279198 945771120 /nfs/dbraw/zinc/77/11/20/945771120.db2.gz KXGTVZGHCVDQGL-GWCFXTLKSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccsn1 ZINC001571279785 945788822 /nfs/dbraw/zinc/78/88/22/945788822.db2.gz VSAYOEANZMZNGI-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)cs1 ZINC001571281079 945796980 /nfs/dbraw/zinc/79/69/80/945796980.db2.gz CBWCNEGLIUGBCL-CYBMUJFWSA-N 1 0 387.469 1.196 20 0 GDADRO Cc1nnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571281137 945798180 /nfs/dbraw/zinc/79/81/80/945798180.db2.gz CNVNKRSRGLGSRM-VXGBXAGGSA-N 1 0 387.473 1.186 20 0 GDADRO Cc1nnc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571281136 945798202 /nfs/dbraw/zinc/79/82/02/945798202.db2.gz CNVNKRSRGLGSRM-RYUDHWBXSA-N 1 0 387.473 1.186 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC[N@@H+]1CCC1CCOCC1 ZINC001571281105 945798701 /nfs/dbraw/zinc/79/87/01/945798701.db2.gz CKBFLTGXLNQHMN-DZGCQCFKSA-N 1 0 387.488 1.594 20 0 GDADRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2nncs2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571281341 945801950 /nfs/dbraw/zinc/80/19/50/945801950.db2.gz GJNGRYTUVWSBMC-UMSPYCQHSA-N 1 0 387.473 1.125 20 0 GDADRO CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCC([NH2+]Cc2nncs2)CC1 ZINC001571281430 945804008 /nfs/dbraw/zinc/80/40/08/945804008.db2.gz IPSJRENTJFEERE-UHFFFAOYSA-N 1 0 387.473 1.219 20 0 GDADRO Cc1nc(C(=O)N2CC[C@H]([C@@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571281424 945805110 /nfs/dbraw/zinc/80/51/10/945805110.db2.gz IKBJLURILCFOFX-PWSUYJOCSA-N 1 0 387.469 1.865 20 0 GDADRO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001571282289 945839160 /nfs/dbraw/zinc/83/91/60/945839160.db2.gz GBEREKWBIUHASX-YQQAZPJKSA-N 1 0 387.463 1.131 20 0 GDADRO O=C(c1nccs1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571282797 945863633 /nfs/dbraw/zinc/86/36/33/945863633.db2.gz RIESDYRXEYFPKF-CYBMUJFWSA-N 1 0 387.444 1.857 20 0 GDADRO Cc1ncsc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282889 945865389 /nfs/dbraw/zinc/86/53/89/945865389.db2.gz UOBGSFNZIZTAEA-HAQNSBGRSA-N 1 0 387.444 1.821 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282963 945870556 /nfs/dbraw/zinc/87/05/56/945870556.db2.gz WSFNOFHYBASKET-BBRMVZONSA-N 1 0 387.463 1.038 20 0 GDADRO COc1cccc(N2C[C@@H]([NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2=O)c1 ZINC000821871776 945891659 /nfs/dbraw/zinc/89/16/59/945891659.db2.gz DODAYQRAPBDGOJ-MAUKXSAKSA-N 1 0 394.435 1.304 20 0 GDADRO CC(=O)N[C@@](C)(C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573456610 945898386 /nfs/dbraw/zinc/89/83/86/945898386.db2.gz NBPVHPVUOOEAMB-ORAYPTAESA-N 1 0 387.488 1.012 20 0 GDADRO Cc1cc(N(C)C[C@H]2CCCN(C(=O)CC(C)(C)O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571284714 945905795 /nfs/dbraw/zinc/90/57/95/945905795.db2.gz ULZPLCQLZCOAHD-CQSZACIVSA-N 1 0 387.488 1.406 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1cnns1 ZINC001571287664 945977647 /nfs/dbraw/zinc/97/76/47/945977647.db2.gz HFPDSYWPXSTSKT-SNVBAGLBSA-N 1 0 388.432 1.109 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)CC1(O)CCC1 ZINC001571288023 945979850 /nfs/dbraw/zinc/97/98/50/945979850.db2.gz LLFXMHDLONFNTA-BLLLJJGKSA-N 1 0 388.447 1.390 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571288075 945983042 /nfs/dbraw/zinc/98/30/42/945983042.db2.gz LVURJRTZCMPMGN-JLZZUVOBSA-N 1 0 388.447 1.511 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571288556 945988913 /nfs/dbraw/zinc/98/89/13/945988913.db2.gz QKRZFUINQGGCPO-ZFWWWQNUSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288710 945989883 /nfs/dbraw/zinc/98/98/83/945989883.db2.gz RJQNYLVZJZNOHH-WBMJQRKESA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288709 945990128 /nfs/dbraw/zinc/99/01/28/945990128.db2.gz RJQNYLVZJZNOHH-MLGOLLRUSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)[C@H]1CCOC1 ZINC001571288693 945990977 /nfs/dbraw/zinc/99/09/77/945990977.db2.gz RGJVYFYRFDEFLD-NFOMZHRRSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571288905 945993084 /nfs/dbraw/zinc/99/30/84/945993084.db2.gz UIMRUQFFDLNCIS-CZPYZCIJSA-N 1 0 388.447 1.415 20 0 GDADRO O=C(c1cnns1)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571288772 945993979 /nfs/dbraw/zinc/99/39/79/945993979.db2.gz TWQDAEMAKWLXIM-GFCCVEGCSA-N 1 0 388.432 1.252 20 0 GDADRO O=C([C@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571289229 945998004 /nfs/dbraw/zinc/99/80/04/945998004.db2.gz XSCAMOOVQWQRHT-KGLIPLIRSA-N 1 0 388.447 1.371 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1)C1CCOCC1 ZINC001571289705 946014564 /nfs/dbraw/zinc/01/45/64/946014564.db2.gz KSDLSSJLILNFRA-SNPRPXQTSA-N 1 0 388.497 1.576 20 0 GDADRO COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)sn1 ZINC001571289710 946016148 /nfs/dbraw/zinc/01/61/48/946016148.db2.gz KUQIFGAPYLCETF-LLVKDONJSA-N 1 0 388.457 1.054 20 0 GDADRO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)CCOCC1 ZINC001571289805 946018807 /nfs/dbraw/zinc/01/88/07/946018807.db2.gz MXWSBKCHBIDVQJ-NHAGDIPZSA-N 1 0 388.497 1.291 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000822614967 946139849 /nfs/dbraw/zinc/13/98/49/946139849.db2.gz YFHOTDSARPYMMJ-AWEZNQCLSA-N 1 0 381.444 1.386 20 0 GDADRO O=C(c1ccc(Cl)[nH]1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571294847 946145292 /nfs/dbraw/zinc/14/52/92/946145292.db2.gz NMGAZGRXNGLEEB-GFCCVEGCSA-N 1 0 389.822 1.992 20 0 GDADRO NC(=O)C1(c2ccccc2)CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822860638 946205883 /nfs/dbraw/zinc/20/58/83/946205883.db2.gz ZYZPOSBRCLXNIM-SFHVURJKSA-N 1 0 392.463 1.419 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2-c2nn[nH]n2)ncn1 ZINC001571298552 946223037 /nfs/dbraw/zinc/22/30/37/946223037.db2.gz GVACPXMJAVAKLY-HFTRVMKXSA-N 1 0 390.451 1.500 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001571298759 946227061 /nfs/dbraw/zinc/22/70/61/946227061.db2.gz QOJKJYIXZXUZHF-SWLSCSKDSA-N 1 0 390.463 1.493 20 0 GDADRO CC(=O)N[C@H](C)C(=O)NCC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573485414 946228186 /nfs/dbraw/zinc/22/81/86/946228186.db2.gz SNJMBDMFUDBQME-CXAGYDPISA-N 1 0 387.488 1.012 20 0 GDADRO Cc1nsc(NC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1-c1nn[nH]n1 ZINC001571299159 946241934 /nfs/dbraw/zinc/24/19/34/946241934.db2.gz JEQWMPSFOKRCSR-AVGNSLFASA-N 1 0 390.517 1.280 20 0 GDADRO O=C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822991436 946247628 /nfs/dbraw/zinc/24/76/28/946247628.db2.gz CUVKZWCEFXLQRL-KRWDZBQOSA-N 1 0 383.500 1.291 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCCCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299366 946249498 /nfs/dbraw/zinc/24/94/98/946249498.db2.gz LRCLWKMIQVGCFO-ZFWWWQNUSA-N 1 0 390.513 1.968 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001571299676 946258203 /nfs/dbraw/zinc/25/82/03/946258203.db2.gz OLIDTLXGUDWPCD-HNNXBMFYSA-N 1 0 390.513 1.920 20 0 GDADRO C[C@](O)(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001571300104 946272421 /nfs/dbraw/zinc/27/24/21/946272421.db2.gz UXSUZGSLKFNGGE-SGTLLEGYSA-N 1 0 390.513 1.417 20 0 GDADRO Cc1nsc(N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)c1-c1nn[nH]n1 ZINC001571300084 946272664 /nfs/dbraw/zinc/27/26/64/946272664.db2.gz UGRSMPUHFPSYKH-VXGBXAGGSA-N 1 0 390.517 1.057 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571300179 946273886 /nfs/dbraw/zinc/27/38/86/946273886.db2.gz WIXLLGCVMISWTA-KGLIPLIRSA-N 1 0 390.513 1.683 20 0 GDADRO COc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)SC)C2)cc1-c1nn[nH]n1 ZINC001571300173 946276311 /nfs/dbraw/zinc/27/63/11/946276311.db2.gz WGKLIVQBUSTGHR-OCCSQVGLSA-N 1 0 390.513 1.660 20 0 GDADRO CC[C@H](SC)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001571300280 946277894 /nfs/dbraw/zinc/27/78/94/946277894.db2.gz YTQHMKYMYKBGQR-CJNGLKHVSA-N 1 0 390.513 1.707 20 0 GDADRO NC(=O)c1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571303335 946331539 /nfs/dbraw/zinc/33/15/39/946331539.db2.gz KPAHGZAJKIMTMP-CALCHBBNSA-N 1 0 391.435 1.016 20 0 GDADRO Cc1cc(N2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571303891 946350492 /nfs/dbraw/zinc/35/04/92/946350492.db2.gz SCLSPRNLUNJRPX-GOSISDBHSA-N 1 0 391.435 1.222 20 0 GDADRO CCc1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 ZINC001571306160 946390807 /nfs/dbraw/zinc/39/08/07/946390807.db2.gz HZSSYIBUFYQSJS-ROUUACIJSA-N 1 0 391.479 1.899 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)c(C)[nH]1 ZINC001571306207 946391612 /nfs/dbraw/zinc/39/16/12/946391612.db2.gz IPNBNRSRVRFINQ-LDLYASANSA-N 1 0 391.479 1.919 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cc2c([nH]1)CCC2 ZINC001571306311 946394233 /nfs/dbraw/zinc/39/42/33/946394233.db2.gz SKDZVRBLIIZSDC-UHFFFAOYSA-N 1 0 391.479 1.982 20 0 GDADRO O=C(Cc1ccc[nH]1)N1CC2(C1)CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2 ZINC001571306601 946404096 /nfs/dbraw/zinc/40/40/96/946404096.db2.gz YKRZTNNPWPWVIF-UHFFFAOYSA-N 1 0 391.479 1.862 20 0 GDADRO O=C1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1CCOc1ccccc1 ZINC000823520819 946442807 /nfs/dbraw/zinc/44/28/07/946442807.db2.gz NQLTYOTWZYFSDI-KRWDZBQOSA-N 1 0 378.436 1.636 20 0 GDADRO O=S(=O)(CCN1CCC[C@H]([NH+]2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823563009 946447676 /nfs/dbraw/zinc/44/76/76/946447676.db2.gz YQBIHOONNVGSHG-INIZCTEOSA-N 1 0 390.513 1.201 20 0 GDADRO CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@@H]3C2)cn1 ZINC001571312746 946500871 /nfs/dbraw/zinc/50/08/71/946500871.db2.gz CIEYNPQONIDUHJ-HDICACEKSA-N 1 0 392.467 1.287 20 0 GDADRO C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)c1 ZINC001571312836 946502941 /nfs/dbraw/zinc/50/29/41/946502941.db2.gz DMXWOIMIKRSPIB-QGZVFWFLSA-N 1 0 392.467 1.650 20 0 GDADRO CCN(C(=O)c1nccc(C)n1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571313533 946525760 /nfs/dbraw/zinc/52/57/60/946525760.db2.gz RCFUIELKTAVNTR-QGZVFWFLSA-N 1 0 392.467 1.702 20 0 GDADRO C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)c1cccc(N(C)C)c1 ZINC001571313845 946534582 /nfs/dbraw/zinc/53/45/82/946534582.db2.gz XDJFQUPJCJAMJH-DZGCQCFKSA-N 1 0 392.467 1.465 20 0 GDADRO C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)c1cccc(N(C)C)c1 ZINC001571313848 946535553 /nfs/dbraw/zinc/53/55/53/946535553.db2.gz XDJFQUPJCJAMJH-UKRRQHHQSA-N 1 0 392.467 1.465 20 0 GDADRO CCc1ccc(CC(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2C)nc1 ZINC001571314036 946540686 /nfs/dbraw/zinc/54/06/86/946540686.db2.gz YYGKBAHDXSKJGF-XJKSGUPXSA-N 1 0 392.467 1.285 20 0 GDADRO Cc1cc(N2CC[C@@H]3CN(C(=O)c4cccn4C)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314721 946543304 /nfs/dbraw/zinc/54/33/04/946543304.db2.gz BERNMBGHNLPOSX-CABCVRRESA-N 1 0 392.467 1.507 20 0 GDADRO Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(C)c(C)n3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314899 946544724 /nfs/dbraw/zinc/54/47/24/946544724.db2.gz DABSOOCBOSEOSG-UKRRQHHQSA-N 1 0 392.467 1.719 20 0 GDADRO Cc1cccc(C(=O)N2CC[C@](C)(CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001571315625 946554711 /nfs/dbraw/zinc/55/47/11/946554711.db2.gz MLMIBUFFKRIJLG-HXUWFJFHSA-N 1 0 392.467 1.660 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)nn1 ZINC001571315789 946558059 /nfs/dbraw/zinc/55/80/59/946558059.db2.gz OCJFXOJDNJICPT-RDJZCZTQSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@](C)(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571315867 946560448 /nfs/dbraw/zinc/56/04/48/946560448.db2.gz QFAQFRZPOPGRME-FQEVSTJZSA-N 1 0 392.467 1.660 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)[C@H]2C)nn1 ZINC001571316069 946564020 /nfs/dbraw/zinc/56/40/20/946564020.db2.gz SYADUNMUVUKQQI-YOEHRIQHSA-N 1 0 392.467 1.748 20 0 GDADRO Cc1cc(C)c(C(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c(C)n1 ZINC001571316119 946566955 /nfs/dbraw/zinc/56/69/55/946566955.db2.gz UMMWWYRJPMCVCK-HNNXBMFYSA-N 1 0 392.467 1.721 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cnn1 ZINC001571316249 946571243 /nfs/dbraw/zinc/57/12/43/946571243.db2.gz XKODWNGUJRTKLH-HNNXBMFYSA-N 1 0 392.467 1.607 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)Cc3ccncc3C)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316275 946571500 /nfs/dbraw/zinc/57/15/00/946571500.db2.gz YEQBGFBTZPNLIC-WMLDXEAASA-N 1 0 392.467 1.339 20 0 GDADRO Cc1ccnc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571316469 946575880 /nfs/dbraw/zinc/57/58/80/946575880.db2.gz DAVCIUKMPPLAKH-WMLDXEAASA-N 1 0 392.467 1.748 20 0 GDADRO Cc1ncncc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571316502 946580320 /nfs/dbraw/zinc/58/03/20/946580320.db2.gz DTBHEOZTRXEYNM-KRWDZBQOSA-N 1 0 392.467 1.750 20 0 GDADRO Cn1nc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cc1C1CC1 ZINC001571316729 946586630 /nfs/dbraw/zinc/58/66/30/946586630.db2.gz KVYRWHLZYXUDMA-INIZCTEOSA-N 1 0 392.467 1.482 20 0 GDADRO Cn1cccc1C(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H]2C1 ZINC001571316871 946588933 /nfs/dbraw/zinc/58/89/33/946588933.db2.gz ORUNYCDQDSSOGL-BPUTZDHNSA-N 1 0 392.467 1.375 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn2c1CCCC2 ZINC001571317045 946599365 /nfs/dbraw/zinc/59/93/65/946599365.db2.gz SWAHGZNUIVVXBC-MRXNPFEDSA-N 1 0 392.467 1.404 20 0 GDADRO Cc1ncncc1C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317159 946600946 /nfs/dbraw/zinc/60/09/46/946600946.db2.gz WTKYOMOXYHSDOM-MRXNPFEDSA-N 1 0 392.467 1.607 20 0 GDADRO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1C1CC1 ZINC001571317253 946604753 /nfs/dbraw/zinc/60/47/53/946604753.db2.gz ZIROUJQDYHJZQH-OAHLLOKOSA-N 1 0 392.467 1.482 20 0 GDADRO CC[N@@H+]1C[C@H](NS(=O)(=O)Cc2c(C)cc(-c3nn[nH]n3)cc2C)C(C)(C)C1 ZINC001571317417 946608856 /nfs/dbraw/zinc/60/88/56/946608856.db2.gz HFUBXGRPXPUHCB-INIZCTEOSA-N 1 0 392.529 1.633 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573522217 946622433 /nfs/dbraw/zinc/62/24/33/946622433.db2.gz CILKFNFCPCNZMG-OLZOCXBDSA-N 1 0 387.488 1.012 20 0 GDADRO Brc1cnccc1C[NH2+]CCNc1ccc(-c2nn[nH]n2)cn1 ZINC001573281156 946672719 /nfs/dbraw/zinc/67/27/19/946672719.db2.gz VKUYZZMHECTJHN-UHFFFAOYSA-N 1 0 375.234 1.621 20 0 GDADRO C[C@H](CC[S@@](C)=O)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824406189 946685063 /nfs/dbraw/zinc/68/50/63/946685063.db2.gz FKNJUQIJUALNSE-IYJVBRSBSA-N 1 0 376.530 1.578 20 0 GDADRO CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573540861 946781326 /nfs/dbraw/zinc/78/13/26/946781326.db2.gz JGBYHMNOMBBGMC-CXAGYDPISA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824547382 946787786 /nfs/dbraw/zinc/78/77/86/946787786.db2.gz NUZVZDFFJFNHPY-BBRMVZONSA-N 1 0 380.456 1.442 20 0 GDADRO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000824626514 946873468 /nfs/dbraw/zinc/87/34/68/946873468.db2.gz PLBTWRCNEZVMSF-ZDUSSCGKSA-N 1 0 386.481 1.968 20 0 GDADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000824746516 946924009 /nfs/dbraw/zinc/92/40/09/946924009.db2.gz VOTCYOLBRUVEDI-HOCLYGCPSA-N 1 0 384.484 1.824 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000825411924 947181664 /nfs/dbraw/zinc/18/16/64/947181664.db2.gz HZFAHQBKDNLKKD-MSOLQXFVSA-N 1 0 383.500 1.778 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825451153 947192938 /nfs/dbraw/zinc/19/29/38/947192938.db2.gz GNIFLFRWEDQZIG-QZTJIDSGSA-N 1 0 383.500 1.778 20 0 GDADRO CCN1CCO[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825464920 947197330 /nfs/dbraw/zinc/19/73/30/947197330.db2.gz FETCNIWFIMOUBN-QGZVFWFLSA-N 1 0 382.472 1.078 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cnn(C)c1 ZINC001573585868 947271219 /nfs/dbraw/zinc/27/12/19/947271219.db2.gz JADHCCHPSQFFGO-NWDGAFQWSA-N 1 0 388.501 1.402 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573591533 947311695 /nfs/dbraw/zinc/31/16/95/947311695.db2.gz CJZOUSZXLSMWCA-OLZOCXBDSA-N 1 0 375.477 1.199 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573592952 947356601 /nfs/dbraw/zinc/35/66/01/947356601.db2.gz GSXLTCYKSRTGMO-DYVFJYSZSA-N 1 0 380.456 1.395 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC001573593143 947365601 /nfs/dbraw/zinc/36/56/01/947365601.db2.gz QKGWFKASVMPEGU-RHSMWYFYSA-N 1 0 388.516 1.800 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC001573593370 947366711 /nfs/dbraw/zinc/36/67/11/947366711.db2.gz SBJVVGCWTBSONK-RDTXWAMCSA-N 1 0 386.500 1.554 20 0 GDADRO Cn1cc(CN2CCC([N@H+](C)CCO)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825942095 947381309 /nfs/dbraw/zinc/38/13/09/947381309.db2.gz VWHSWZAGMLNHJN-UHFFFAOYSA-N 1 0 396.499 1.156 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1ccco1 ZINC001573595013 947413408 /nfs/dbraw/zinc/41/34/08/947413408.db2.gz WKCHBQYFVUVBAS-LRDDRELGSA-N 1 0 381.440 1.729 20 0 GDADRO C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573596911 947435022 /nfs/dbraw/zinc/43/50/22/947435022.db2.gz LZLDFVPOMAPKMA-OAHLLOKOSA-N 1 0 382.472 1.605 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826134316 947448311 /nfs/dbraw/zinc/44/83/11/947448311.db2.gz UYJIXNWLDYCTLW-QOKNQOGYSA-N 1 0 389.456 1.318 20 0 GDADRO C[C@H](C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573613456 947562444 /nfs/dbraw/zinc/56/24/44/947562444.db2.gz APUFFIYYNJMXKW-MEBBXXQBSA-N 1 0 383.378 1.533 20 0 GDADRO C[C@@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2)n1cccn1 ZINC001573616637 947625448 /nfs/dbraw/zinc/62/54/48/947625448.db2.gz YIYYOTKNTRUFJU-HNNXBMFYSA-N 1 0 392.467 1.359 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001573354321 947631015 /nfs/dbraw/zinc/63/10/15/947631015.db2.gz ABEZLELKMQDLFF-SFHVURJKSA-N 1 0 378.436 1.390 20 0 GDADRO CS[C@H]1CN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C[C@@H]1[NH+](C)C ZINC000826227824 947669845 /nfs/dbraw/zinc/66/98/45/947669845.db2.gz YIVCHVQAZMCICO-KBPBESRZSA-N 1 0 386.485 1.394 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573625144 947698972 /nfs/dbraw/zinc/69/89/72/947698972.db2.gz NHVWKFIMWTUNRK-GOEBONIOSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573625149 947699482 /nfs/dbraw/zinc/69/94/82/947699482.db2.gz NHVWKFIMWTUNRK-ZBFHGGJFSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573625640 947703793 /nfs/dbraw/zinc/70/37/93/947703793.db2.gz PUKLOZXAHUPFFH-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO C/C(=C/C(=O)N1CCC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001573362782 947705554 /nfs/dbraw/zinc/70/55/54/947705554.db2.gz LLIIDYXPBHITGJ-JEMSNHSXSA-N 1 0 381.484 1.999 20 0 GDADRO C/C(=C\C(=O)NC[C@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573363324 947711481 /nfs/dbraw/zinc/71/14/81/947711481.db2.gz NJGDLBNGGFVHOE-CBHXRGPZSA-N 1 0 382.468 1.276 20 0 GDADRO C/C(=C\C(=O)N1CC[C@](C)(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001573364970 947726602 /nfs/dbraw/zinc/72/66/02/947726602.db2.gz RZQITYKDQDQBRZ-ZTVSIKPCSA-N 1 0 381.484 1.999 20 0 GDADRO CC(=O)CCCC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573365234 947729466 /nfs/dbraw/zinc/72/94/66/947729466.db2.gz LSWQYWGXPCBJQT-GFCCVEGCSA-N 1 0 376.436 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573367804 947764676 /nfs/dbraw/zinc/76/46/76/947764676.db2.gz ILDGSFNROOUQBV-KBXCAEBGSA-N 1 0 384.484 1.810 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573368331 947766251 /nfs/dbraw/zinc/76/62/51/947766251.db2.gz MTLZVUVPCSQYKK-QAPCUYQASA-N 1 0 384.484 1.953 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(C)(F)F ZINC001573629014 947769858 /nfs/dbraw/zinc/76/98/58/947769858.db2.gz QDRXXTNZZGYFFV-RYUDHWBXSA-N 1 0 379.415 1.980 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573629091 947771816 /nfs/dbraw/zinc/77/18/16/947771816.db2.gz MADLJBJWHNCMQP-UKRRQHHQSA-N 1 0 378.440 1.285 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001573369544 947774841 /nfs/dbraw/zinc/77/48/41/947774841.db2.gz UKOSQXOLWYKOEK-MRXNPFEDSA-N 1 0 385.472 1.400 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@H]1C ZINC001573373311 947791207 /nfs/dbraw/zinc/79/12/07/947791207.db2.gz HOOPYMQDOUNEJC-DYVFJYSZSA-N 1 0 388.447 1.844 20 0 GDADRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573637706 947821101 /nfs/dbraw/zinc/82/11/01/947821101.db2.gz NWCHRMUXRZTMNC-OAHLLOKOSA-N 1 0 380.456 1.359 20 0 GDADRO CC(=O)CCCC(=O)NC1(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001573376885 947843934 /nfs/dbraw/zinc/84/39/34/947843934.db2.gz ZXHKQZNVFAHKMB-UHFFFAOYSA-N 1 0 385.472 1.592 20 0 GDADRO CC(=O)CCCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573377731 947852980 /nfs/dbraw/zinc/85/29/80/947852980.db2.gz RRXXFFZMNOPLOP-ZDUSSCGKSA-N 1 0 392.485 1.005 20 0 GDADRO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c1C ZINC000826299268 947865390 /nfs/dbraw/zinc/86/53/90/947865390.db2.gz XSZYMEWPDXIBGF-ZDUSSCGKSA-N 1 0 397.487 1.680 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001573381500 947874258 /nfs/dbraw/zinc/87/42/58/947874258.db2.gz WKWNBTLMKCUJKE-UKRRQHHQSA-N 1 0 385.472 1.803 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573381716 947878587 /nfs/dbraw/zinc/87/85/87/947878587.db2.gz YFDRVPHAPRQDCR-INIZCTEOSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573383848 947897401 /nfs/dbraw/zinc/89/74/01/947897401.db2.gz YCXNAXPZAZTYAA-LSDHHAIUSA-N 1 0 385.472 1.448 20 0 GDADRO Cc1ccnc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1-c1nn[nH]n1 ZINC000826313146 947908934 /nfs/dbraw/zinc/90/89/34/947908934.db2.gz XCCZDMLXSRHNOS-IRXDYDNUSA-N 1 0 379.468 1.865 20 0 GDADRO C[C@H](C(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)C1CCC1 ZINC001573652001 947927431 /nfs/dbraw/zinc/92/74/31/947927431.db2.gz UEZVQVBJPODGRP-IMJJTQAJSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@H](C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(C)(F)F ZINC001573654250 947963003 /nfs/dbraw/zinc/96/30/03/947963003.db2.gz QGCCWAUHBLHJCI-HWPZZCPQSA-N 1 0 379.415 1.672 20 0 GDADRO Cc1onc(CC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826343461 947991560 /nfs/dbraw/zinc/99/15/60/947991560.db2.gz BMWYJJZZEMGENX-HNNXBMFYSA-N 1 0 381.440 1.439 20 0 GDADRO Cc1onc(CC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1-c1nn[nH]n1 ZINC000826346381 948037383 /nfs/dbraw/zinc/03/73/83/948037383.db2.gz LDFFCZLTWWSFGY-GFCCVEGCSA-N 1 0 396.455 1.442 20 0 GDADRO C[C@H](C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573664817 948062592 /nfs/dbraw/zinc/06/25/92/948062592.db2.gz GYGNRQUUNZAHIP-WLYUNCDWSA-N 1 0 380.456 1.586 20 0 GDADRO Cc1onc(CC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1-c1nn[nH]n1 ZINC000826348253 948070070 /nfs/dbraw/zinc/07/00/70/948070070.db2.gz DDTRWZVNBMXHFG-UHFFFAOYSA-N 1 0 396.455 1.486 20 0 GDADRO Cc1onc(CC(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c1-c1nn[nH]n1 ZINC000826348504 948076584 /nfs/dbraw/zinc/07/65/84/948076584.db2.gz PQDVTPKJMPRKJV-UHFFFAOYSA-N 1 0 398.427 1.235 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573670685 948103918 /nfs/dbraw/zinc/10/39/18/948103918.db2.gz CVKZTXJLMXQBKG-DYVFJYSZSA-N 1 0 380.456 1.094 20 0 GDADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cn3ccccc3c2-c2nn[nH]n2)cn1 ZINC000826359485 948115693 /nfs/dbraw/zinc/11/56/93/948115693.db2.gz IMSZHKQXBGZRPT-WMZOPIPTSA-N 1 0 392.467 1.941 20 0 GDADRO Cn1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360769 948125793 /nfs/dbraw/zinc/12/57/93/948125793.db2.gz XGTLPDAAMFCMSE-QGZVFWFLSA-N 1 0 383.456 1.241 20 0 GDADRO Cn1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360872 948125820 /nfs/dbraw/zinc/12/58/20/948125820.db2.gz BJMFCZAFTCPFGR-SFHVURJKSA-N 1 0 378.484 1.937 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1ncccc1-c1nn[nH]n1 ZINC001573678842 948157257 /nfs/dbraw/zinc/15/72/57/948157257.db2.gz JFEAWNMDEGLWOG-GJZGRUSLSA-N 1 0 386.504 1.467 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccsc1 ZINC001573680712 948185792 /nfs/dbraw/zinc/18/57/92/948185792.db2.gz PTDOTEVHBWBMTJ-WBMJQRKESA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573681934 948216978 /nfs/dbraw/zinc/21/69/78/948216978.db2.gz ZHHHFKATVQCXJQ-WCQYABFASA-N 1 0 378.452 1.255 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCCC1 ZINC001573681884 948217122 /nfs/dbraw/zinc/21/71/22/948217122.db2.gz YJWFJRQDUMPUFY-MLGOLLRUSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001573690572 948226310 /nfs/dbraw/zinc/22/63/10/948226310.db2.gz DSZVCYINPYQKMP-ABAIWWIYSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC1)[C@@H]1CCCO1 ZINC001573692002 948251467 /nfs/dbraw/zinc/25/14/67/948251467.db2.gz KLUKLNBAIDJYHE-YOEHRIQHSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccsc1 ZINC001573695602 948306506 /nfs/dbraw/zinc/30/65/06/948306506.db2.gz XXBRTYZSBGLUOZ-BLLLJJGKSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573703576 948357860 /nfs/dbraw/zinc/35/78/60/948357860.db2.gz LBVJICKADIPHFU-LSDHHAIUSA-N 1 0 392.467 1.793 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573704385 948372327 /nfs/dbraw/zinc/37/23/27/948372327.db2.gz RJYUPPFKWVQRLT-YOEHRIQHSA-N 1 0 380.456 1.405 20 0 GDADRO O=C1[C@H](N2CCC[C@@H]([NH+]3CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476837 948384814 /nfs/dbraw/zinc/38/48/14/948384814.db2.gz QBKNQXNHDWJCSI-RTBURBONSA-N 1 0 395.511 1.922 20 0 GDADRO c1[nH]nc2c1CC[C@@H]([NH2+]C1CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC1)C2 ZINC000826513449 948436593 /nfs/dbraw/zinc/43/65/93/948436593.db2.gz LVPGBEJDCXBCAA-GOSISDBHSA-N 1 0 378.484 1.701 20 0 GDADRO c1nc2n(n1)C[C@@H]([NH2+]C1CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826526876 948465001 /nfs/dbraw/zinc/46/50/01/948465001.db2.gz QFBNPBKHQLSBKE-KRWDZBQOSA-N 1 0 379.472 1.027 20 0 GDADRO C[C@H](C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573714991 948479809 /nfs/dbraw/zinc/47/98/09/948479809.db2.gz MMTSQUZJEJMOSM-HUUCEWRRSA-N 1 0 380.456 1.657 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](Cc1ccccc1-c1nn[nH]n1)C1CC1)n1cccn1 ZINC001573720209 948533080 /nfs/dbraw/zinc/53/30/80/948533080.db2.gz PXRDGTPAZXIBQU-CQSZACIVSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CC1)[C@@H]1CCCO1 ZINC001573721565 948540051 /nfs/dbraw/zinc/54/00/51/948540051.db2.gz YJQLAWVTJHUBLR-WFASDCNBSA-N 1 0 390.513 1.824 20 0 GDADRO C[N@@H+]1C[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001562030287 948558846 /nfs/dbraw/zinc/55/88/46/948558846.db2.gz JLIQJKCPUATUGG-BHYNMZESSA-N 1 0 382.877 1.139 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)c1ccco1 ZINC001573728918 948563934 /nfs/dbraw/zinc/56/39/34/948563934.db2.gz RHCMXWAOLMDHLK-HZSPNIEDSA-N 1 0 381.440 1.847 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573736506 948616638 /nfs/dbraw/zinc/61/66/38/948616638.db2.gz YWAOFNJDIABUKE-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO 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DXFSJVBXVLYNQR-CMPLNLGQSA-N 1 0 385.394 1.630 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001574926097 948983428 /nfs/dbraw/zinc/98/34/28/948983428.db2.gz IIHUAPZTLJEURF-LBPRGKRZSA-N 1 0 392.483 1.543 20 0 GDADRO CC(F)(F)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001575242898 948991700 /nfs/dbraw/zinc/99/17/00/948991700.db2.gz LSDMZOIQLWMRSM-FOLVSLTJSA-N 1 0 376.411 1.849 20 0 GDADRO C[C@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001574926444 949000245 /nfs/dbraw/zinc/00/02/45/949000245.db2.gz QLPAGIFBWPRSKI-GFCCVEGCSA-N 1 0 375.452 1.431 20 0 GDADRO C[C@H](CNC(=O)C[N@H+](C)C1CCC1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926746 949021149 /nfs/dbraw/zinc/02/11/49/949021149.db2.gz WPTUZIYJMZJDKW-LLVKDONJSA-N 1 0 392.895 1.564 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001575502235 949022592 /nfs/dbraw/zinc/02/25/92/949022592.db2.gz JEBVCJYFZPCRQA-KGLIPLIRSA-N 1 0 381.440 1.324 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1CCCCC1 ZINC001573774979 949026613 /nfs/dbraw/zinc/02/66/13/949026613.db2.gz QYMNGMPDOSPQSB-UHFFFAOYSA-N 1 0 384.488 1.587 20 0 GDADRO CC(C)[C@H]1C[C@H](C(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001574091745 949031736 /nfs/dbraw/zinc/03/17/36/949031736.db2.gz LQVVJMUAMAQNAA-RHSMWYFYSA-N 1 0 387.488 1.608 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(F)(F)F ZINC001573775230 949034432 /nfs/dbraw/zinc/03/44/32/949034432.db2.gz ULXKYWGUSCCYPX-LLVKDONJSA-N 1 0 386.378 1.022 20 0 GDADRO C[C@@H](F)CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@]2(C)C1 ZINC001575246475 949034397 /nfs/dbraw/zinc/03/43/97/949034397.db2.gz GQYRETGYXDEJPY-PJSAGSTRSA-N 1 0 375.452 1.727 20 0 GDADRO CC(C)(C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001573779230 949052713 /nfs/dbraw/zinc/05/27/13/949052713.db2.gz DROJOGAEODBGQC-GOSISDBHSA-N 1 0 390.513 1.417 20 0 GDADRO CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573779441 949061377 /nfs/dbraw/zinc/06/13/77/949061377.db2.gz IDQIVMBIQZYZPU-FQEVSTJZSA-N 1 0 384.484 1.356 20 0 GDADRO CC(C)(C(=O)NC[C@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573779442 949063861 /nfs/dbraw/zinc/06/38/61/949063861.db2.gz IDQIVMBIQZYZPU-HXUWFJFHSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](F)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575248223 949066341 /nfs/dbraw/zinc/06/63/41/949066341.db2.gz PSRPIOUDHCQKNE-RGYTYGDFSA-N 1 0 383.431 1.928 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573779685 949068397 /nfs/dbraw/zinc/06/83/97/949068397.db2.gz MFBYKRCRKNDINE-AWEZNQCLSA-N 1 0 384.488 1.079 20 0 GDADRO CC(C)(C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573779863 949073788 /nfs/dbraw/zinc/07/37/88/949073788.db2.gz OEQPBMVZPFKNIV-CQSZACIVSA-N 1 0 392.467 1.577 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)n1cccc1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251057 949125727 /nfs/dbraw/zinc/12/57/27/949125727.db2.gz KQCICGQKSUIRHC-CHWSQXEVSA-N 1 0 385.497 1.927 20 0 GDADRO C[C@@H](CCNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001574696233 949126002 /nfs/dbraw/zinc/12/60/02/949126002.db2.gz OCIOYTBHYSTTJK-VIFPVBQESA-N 1 0 384.897 1.379 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574932179 949135632 /nfs/dbraw/zinc/13/56/32/949135632.db2.gz VOHRFBLNLGPRQU-LBPRGKRZSA-N 1 0 376.436 1.559 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)C1)[NH+]1CCCC1 ZINC001573787022 949158026 /nfs/dbraw/zinc/15/80/26/949158026.db2.gz JSQLTCJLCPKAPB-BETUJISGSA-N 1 0 388.451 1.334 20 0 GDADRO CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1cccnc1 ZINC001573787122 949168809 /nfs/dbraw/zinc/16/88/09/949168809.db2.gz MKNGOYOITNNOPN-QLPKVWCKSA-N 1 0 390.451 1.185 20 0 GDADRO 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C[C@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001574698913 949217065 /nfs/dbraw/zinc/21/70/65/949217065.db2.gz PYFRZUHGXLZWLE-UONOGXRCSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574698967 949218589 /nfs/dbraw/zinc/21/85/89/949218589.db2.gz QPPFJBWPGFSYFH-CHWSQXEVSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574699707 949241825 /nfs/dbraw/zinc/24/18/25/949241825.db2.gz VXUQYNFTBMLUEU-CHWSQXEVSA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)c1scnc1C(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574451802 949248946 /nfs/dbraw/zinc/24/89/46/949248946.db2.gz ZFTKNOKLWDGQFE-WDEREUQCSA-N 1 0 386.485 1.882 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574700033 949253650 /nfs/dbraw/zinc/25/36/50/949253650.db2.gz XYCRGNDJQXKXMN-KGLIPLIRSA-N 1 0 387.492 1.180 20 0 GDADRO CC(C)n1cc(C(=O)N[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)cn1 ZINC001574452193 949255483 /nfs/dbraw/zinc/25/54/83/949255483.db2.gz FNQVPFCRCXNCGU-INIZCTEOSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574701459 949258356 /nfs/dbraw/zinc/25/83/56/949258356.db2.gz ABZRRHOEDOXFEF-YJYMSZOUSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)CC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001574107513 949283149 /nfs/dbraw/zinc/28/31/49/949283149.db2.gz KRXBUALJPJPSFS-UHFFFAOYSA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)(C)C(=O)C(=O)N1C[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@]2(C)C1 ZINC001573793763 949306736 /nfs/dbraw/zinc/30/67/36/949306736.db2.gz YPDSTOMJKMRDCP-IERDGZPVSA-N 1 0 396.495 1.762 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574703117 949307721 /nfs/dbraw/zinc/30/77/21/949307721.db2.gz RFKPIRYCBMFOKI-BFUOFWGJSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574703187 949315614 /nfs/dbraw/zinc/31/56/14/949315614.db2.gz SRJAPJVYBIAXDI-LLVKDONJSA-N 1 0 376.440 1.001 20 0 GDADRO C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575259206 949323681 /nfs/dbraw/zinc/32/36/81/949323681.db2.gz NUEXOVQKQYYJMI-QWHCGFSZSA-N 1 0 385.472 1.196 20 0 GDADRO C[C@]1(C(=O)N(CCO)CC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C=CCC1 ZINC001575525425 949342961 /nfs/dbraw/zinc/34/29/61/949342961.db2.gz NORDOYWWHWMKAL-IBGZPJMESA-N 1 0 388.447 1.273 20 0 GDADRO CC(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574110286 949358971 /nfs/dbraw/zinc/35/89/71/949358971.db2.gz XRLKHOLIJLUMQD-GUYCJALGSA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)CC(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574110251 949359722 /nfs/dbraw/zinc/35/97/22/949359722.db2.gz WDDFLMJDVXUADE-OAHLLOKOSA-N 1 0 390.463 1.759 20 0 GDADRO CC1(C)CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575527833 949383567 /nfs/dbraw/zinc/38/35/67/949383567.db2.gz HZQYIXNPUVOTQY-UZLBHIALSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574704496 949395808 /nfs/dbraw/zinc/39/58/08/949395808.db2.gz NMQOLMJAEFRLOK-CQSZACIVSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574704936 949412189 /nfs/dbraw/zinc/41/21/89/949412189.db2.gz GFGMSNAQAZCFSH-DTWKUNHWSA-N 1 0 384.897 1.330 20 0 GDADRO CC(C)n1cnc(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001574464629 949420513 /nfs/dbraw/zinc/42/05/13/949420513.db2.gz OVQSAPHUOPSOFF-AWEZNQCLSA-N 1 0 382.472 1.942 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574705901 949443494 /nfs/dbraw/zinc/44/34/94/949443494.db2.gz KIPFZFFHJYQPPJ-RISCZKNCSA-N 1 0 392.895 1.658 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574707180 949465251 /nfs/dbraw/zinc/46/52/51/949465251.db2.gz NUWVIBDOOUPCPZ-HIFPTAJRSA-N 1 0 378.502 1.416 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)c1 ZINC001574468828 949467502 /nfs/dbraw/zinc/46/75/02/949467502.db2.gz TWVIVVOMFVHJSV-VQFNDLOPSA-N 1 0 392.467 1.504 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574707634 949471496 /nfs/dbraw/zinc/47/14/96/949471496.db2.gz PFFHPZABVQPCBM-BLLLJJGKSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001576157709 949487589 /nfs/dbraw/zinc/48/75/89/949487589.db2.gz RRKXMCNLDWFZFQ-ACJLOTCBSA-N 1 0 387.492 1.085 20 0 GDADRO CC(C)n1nccc1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574470423 949499659 /nfs/dbraw/zinc/49/96/59/949499659.db2.gz PYJJDXUFYZATQF-UHFFFAOYSA-N 1 0 381.444 1.438 20 0 GDADRO C[C@H](NC(=O)C[C@@H]1CCCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268589 949523236 /nfs/dbraw/zinc/52/32/36/949523236.db2.gz NZYWVMLQWBYNJA-STQMWFEESA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H]1CCCC[C@]1(CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC(C)(C)O ZINC001576160045 949527275 /nfs/dbraw/zinc/52/72/75/949527275.db2.gz YZQZVIVTCYXWDY-ORAYPTAESA-N 1 0 387.488 1.322 20 0 GDADRO C[C@]1(C(=O)N2CC[C@]3(CCN(c4cc[nH+]cc4-c4nn[nH]n4)C3)C2)CCOC1 ZINC001575538905 949534043 /nfs/dbraw/zinc/53/40/43/949534043.db2.gz KXCNJLQUBLUDEI-OALUTQOASA-N 1 0 383.456 1.117 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575872337 949542610 /nfs/dbraw/zinc/54/26/10/949542610.db2.gz IAZZWKFRDCUSQO-DZGCQCFKSA-N 1 0 384.488 1.220 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]CCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576164974 949564369 /nfs/dbraw/zinc/56/43/69/949564369.db2.gz JANVLECFCVAOFS-CJNGLKHVSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574956169 949570080 /nfs/dbraw/zinc/57/00/80/949570080.db2.gz GRSVMRQLHRHSHP-DMDPSCGWSA-N 1 0 392.895 1.196 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnsn1 ZINC001573810611 949571930 /nfs/dbraw/zinc/57/19/30/949571930.db2.gz AVCYSLOZNNGUNW-LBPRGKRZSA-N 1 0 392.514 1.714 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575873260 949573575 /nfs/dbraw/zinc/57/35/75/949573575.db2.gz AJFKCHVDXSMAQG-CZUORRHYSA-N 1 0 384.488 1.220 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574712242 949573318 /nfs/dbraw/zinc/57/33/18/949573318.db2.gz QYDLHQAFAKKAOL-KBXCAEBGSA-N 1 0 391.479 1.613 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576166003 949575122 /nfs/dbraw/zinc/57/51/22/949575122.db2.gz KUGUJKLBMLAUCI-PBHICJAKSA-N 1 0 389.504 1.794 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573811064 949584337 /nfs/dbraw/zinc/58/43/37/949584337.db2.gz HCZZIFFUVOEVIX-DZGCQCFKSA-N 1 0 375.477 1.498 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873686 949585797 /nfs/dbraw/zinc/58/57/97/949585797.db2.gz BOWFWIWNXKXQOM-QAPCUYQASA-N 1 0 383.500 1.432 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574956719 949589094 /nfs/dbraw/zinc/58/90/94/949589094.db2.gz MLJHUJFDPCMTOT-XTENKEOPSA-N 1 0 382.468 1.227 20 0 GDADRO C[C@H]1CCCC[C@@H]1OCC[NH+]1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001576166672 949589091 /nfs/dbraw/zinc/58/90/91/949589091.db2.gz NIQZEEBJDQPBEJ-GUYCJALGSA-N 1 0 387.488 1.452 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]CC1CCOCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573811102 949590030 /nfs/dbraw/zinc/59/00/30/949590030.db2.gz HPUVQRIFXDCQBH-OAHLLOKOSA-N 1 0 375.477 1.356 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCOC1 ZINC001573811304 949597200 /nfs/dbraw/zinc/59/72/00/949597200.db2.gz JUZVCTAISHNNHI-BBRMVZONSA-N 1 0 390.463 1.663 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576167148 949597953 /nfs/dbraw/zinc/59/79/53/949597953.db2.gz OYGYHKOFZMOBQN-PBHICJAKSA-N 1 0 387.488 1.752 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574713202 949599788 /nfs/dbraw/zinc/59/97/88/949599788.db2.gz WKFIUISZYZRBQW-RISCZKNCSA-N 1 0 388.451 1.001 20 0 GDADRO C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576167198 949604719 /nfs/dbraw/zinc/60/47/19/949604719.db2.gz PIZMBRTWJKFYNI-CXAGYDPISA-N 1 0 385.472 1.149 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=CCOCC1 ZINC001573811697 949605874 /nfs/dbraw/zinc/60/58/74/949605874.db2.gz MVLFKWMUDKKGLB-OAHLLOKOSA-N 1 0 390.513 1.895 20 0 GDADRO CC1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC001575545688 949606070 /nfs/dbraw/zinc/60/60/70/949606070.db2.gz NFHWYBOSQINTPU-KRWDZBQOSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@]1(F)CCOC1 ZINC001573811858 949608540 /nfs/dbraw/zinc/60/85/40/949608540.db2.gz OPGFROQDBZOZGQ-BEFAXECRSA-N 1 0 390.463 1.616 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cocn1 ZINC001573811885 949610498 /nfs/dbraw/zinc/61/04/98/949610498.db2.gz OVOULBPBQRMCLT-HNNXBMFYSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[C@H]1CCOC1 ZINC001573812147 949613897 /nfs/dbraw/zinc/61/38/97/949613897.db2.gz QIRHKUUFKOPBMY-RHSMWYFYSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ccncn1 ZINC001573812180 949614351 /nfs/dbraw/zinc/61/43/51/949614351.db2.gz QLHYDIKBBZNOQU-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574957478 949615655 /nfs/dbraw/zinc/61/56/55/949615655.db2.gz YSYPTBQYIDWNRQ-YHMZSZJBSA-N 1 0 386.431 1.024 20 0 GDADRO C[C@@]1(C(=O)N2CCCCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCOC1 ZINC001575546842 949617649 /nfs/dbraw/zinc/61/76/49/949617649.db2.gz SDFWCEVNQNZPQQ-IFXJQAMLSA-N 1 0 385.472 1.293 20 0 GDADRO C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575271603 949622953 /nfs/dbraw/zinc/62/29/53/949622953.db2.gz LEEPJVVADCHBQA-LSDHHAIUSA-N 1 0 386.504 1.325 20 0 GDADRO C[C@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576167992 949623363 /nfs/dbraw/zinc/62/33/63/949623363.db2.gz RVMUQGJJUDTSJW-ZJOBFFGXSA-N 1 0 387.488 1.641 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2CCOCC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575875108 949623810 /nfs/dbraw/zinc/62/38/10/949623810.db2.gz UYRCXSCBNMBJDJ-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnco1 ZINC001573812922 949625453 /nfs/dbraw/zinc/62/54/53/949625453.db2.gz WBDRJDDYQRRUFC-ZDUSSCGKSA-N 1 0 375.458 1.851 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574715139 949641425 /nfs/dbraw/zinc/64/14/25/949641425.db2.gz BONSSQKULYEFMN-ZIAGYGMSSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1ncccc1-c1nn[nH]n1 ZINC001576168962 949658497 /nfs/dbraw/zinc/65/84/97/949658497.db2.gz DEEYEMLWZUBEQP-GOEBONIOSA-N 1 0 386.504 1.643 20 0 GDADRO C[C@@H]1[C@H](NC(=O)CC(C)(C)O)CCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575877464 949668311 /nfs/dbraw/zinc/66/83/11/949668311.db2.gz ZUTAFIXJFHDINS-MLGOLLRUSA-N 1 0 390.463 1.636 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574716344 949690404 /nfs/dbraw/zinc/69/04/04/949690404.db2.gz JSNXKBLASUOOFS-GXTWGEPZSA-N 1 0 390.467 1.534 20 0 GDADRO C[C@H](CN(C)C(=O)CC1(O)CCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716418 949693875 /nfs/dbraw/zinc/69/38/75/949693875.db2.gz OIBDLPUCPQUIDX-GFCCVEGCSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574959028 949699916 /nfs/dbraw/zinc/69/99/16/949699916.db2.gz PNDFEBWIGCCFGJ-TUKIKUTGSA-N 1 0 383.481 1.721 20 0 GDADRO C[C@H]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576170561 949723714 /nfs/dbraw/zinc/72/37/14/949723714.db2.gz LRYOMERBCCEEDH-YJBOKZPZSA-N 1 0 386.500 1.604 20 0 GDADRO C[C@H](CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1ccncc1 ZINC001574479097 949727049 /nfs/dbraw/zinc/72/70/49/949727049.db2.gz CUENJMOFLKIMIF-CQSZACIVSA-N 1 0 392.467 1.675 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC001575881934 949740880 /nfs/dbraw/zinc/74/08/80/949740880.db2.gz DEAFJAIRCDTPRL-MFKMUULPSA-N 1 0 379.415 1.823 20 0 GDADRO C[C@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCCOC1 ZINC001575558740 949743178 /nfs/dbraw/zinc/74/31/78/949743178.db2.gz RQOLYUBOFKYXRS-KDOFPFPSSA-N 1 0 390.513 1.729 20 0 GDADRO 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FYXAQVPIWAMACY-APWZRJJASA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](CN(C)C(=O)COc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574727655 949975886 /nfs/dbraw/zinc/97/58/86/949975886.db2.gz WWCVGRVTWMSPRZ-CQSZACIVSA-N 1 0 381.440 1.277 20 0 GDADRO C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575286763 949988076 /nfs/dbraw/zinc/98/80/76/949988076.db2.gz YQIOILSTEZECAF-CABCVRRESA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C2CC2)CCOC1 ZINC001575573673 949997622 /nfs/dbraw/zinc/99/76/22/949997622.db2.gz OAFWNXQEMNUEFR-QFBILLFUSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1cncs1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574728697 950002189 /nfs/dbraw/zinc/00/21/89/950002189.db2.gz HRZUQJSCSGZUSZ-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCOC1 ZINC001575574079 950010800 /nfs/dbraw/zinc/01/08/00/950010800.db2.gz RQOQMHKOBRHKMB-GUYCJALGSA-N 1 0 376.486 1.339 20 0 GDADRO 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C[C@@H]1CCN(C(=O)c2cocn2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576192830 950274030 /nfs/dbraw/zinc/27/40/30/950274030.db2.gz PTJUNBQZHCRLFF-CJNGLKHVSA-N 1 0 381.440 1.743 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1ncc[nH]1 ZINC001575904789 950287815 /nfs/dbraw/zinc/28/78/15/950287815.db2.gz ARPGMPFWFGOFSG-ABAIWWIYSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cc[nH]n1 ZINC001575905103 950288191 /nfs/dbraw/zinc/28/81/91/950288191.db2.gz BFEZPMIATNNLGT-BZNIZROVSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)C1=COCCC1 ZINC001575905734 950299025 /nfs/dbraw/zinc/29/90/25/950299025.db2.gz DUOQXKFFOSRDBM-SJCJKPOMSA-N 1 0 386.431 1.779 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575905770 950301594 /nfs/dbraw/zinc/30/15/94/950301594.db2.gz FHYFYCCCXSCJNN-JQWIXIFHSA-N 1 0 385.453 1.422 20 0 GDADRO 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ZINC001574752354 950480830 /nfs/dbraw/zinc/48/08/30/950480830.db2.gz BOKZJIHOYVIHHE-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO CC(C)CCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574167540 950484053 /nfs/dbraw/zinc/48/40/53/950484053.db2.gz DJKWEWVLXFZRKY-CQSZACIVSA-N 1 0 378.452 1.351 20 0 GDADRO C[C@@H](C[C@H](C)Nc1ccc(-c2nn[nH]n2)cn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204958 950488788 /nfs/dbraw/zinc/48/87/88/950488788.db2.gz SUQRMHATLBSBAQ-GJZGRUSLSA-N 1 0 386.504 1.689 20 0 GDADRO CC(C)[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001576205555 950523389 /nfs/dbraw/zinc/52/33/89/950523389.db2.gz JVCZSXKJEUTQKC-MRXNPFEDSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cscn1 ZINC001575915842 950524265 /nfs/dbraw/zinc/52/42/65/950524265.db2.gz XMUYHQXXNVNQKI-MLGOLLRUSA-N 1 0 383.481 1.645 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)CCCOC1 ZINC001575614391 950527084 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GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccccc1 ZINC001575926755 950724597 /nfs/dbraw/zinc/72/45/97/950724597.db2.gz LKFSUIRNVZKXPH-YOEHRIQHSA-N 1 0 377.452 1.718 20 0 GDADRO C[C@@H]1[C@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001575926976 950727659 /nfs/dbraw/zinc/72/76/59/950727659.db2.gz ZJIUFAXLQNOAMJ-IUODEOHRSA-N 1 0 387.463 1.891 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001575008771 950755204 /nfs/dbraw/zinc/75/52/04/950755204.db2.gz HTUQDBLVWMSJNL-UWVGGRQHSA-N 1 0 385.432 1.172 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cn1cccn1 ZINC001574521086 950766314 /nfs/dbraw/zinc/76/63/14/950766314.db2.gz CYRVCEWQQYDSQD-QWHCGFSZSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575928197 950777625 /nfs/dbraw/zinc/77/76/25/950777625.db2.gz ZRUCQOJPJLOICM-PSASIEDQSA-N 1 0 390.860 1.509 20 0 GDADRO C[C@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574765329 950781523 /nfs/dbraw/zinc/78/15/23/950781523.db2.gz CAIDFWQTBHDYGY-LLVKDONJSA-N 1 0 382.428 1.123 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CC(C)(C)O ZINC001574522201 950793059 /nfs/dbraw/zinc/79/30/59/950793059.db2.gz JJOZWXWOBPCDGK-NWDGAFQWSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576218830 950793482 /nfs/dbraw/zinc/79/34/82/950793482.db2.gz MTAHRJXVWHNGKP-MFKMUULPSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1cccn1 ZINC001574522914 950802970 /nfs/dbraw/zinc/80/29/70/950802970.db2.gz LUTXYBWQHVPMDT-QWHCGFSZSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCn1ccnc1 ZINC001574523682 950825401 /nfs/dbraw/zinc/82/54/01/950825401.db2.gz PFZMAEIHDBQAGL-HUUCEWRRSA-N 1 0 382.472 1.526 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncoc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574767083 950835952 /nfs/dbraw/zinc/83/59/52/950835952.db2.gz LMDIGIMIQVCMMR-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)OCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574523930 950842307 /nfs/dbraw/zinc/84/23/07/950842307.db2.gz SHYDHVLRZVOHNY-QWHCGFSZSA-N 1 0 378.452 1.804 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574524137 950844449 /nfs/dbraw/zinc/84/44/49/950844449.db2.gz UCMVEIGPDJCAHK-OLZOCXBDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1cn[nH]c1 ZINC001574524366 950854819 /nfs/dbraw/zinc/85/48/19/950854819.db2.gz VWXSZOFQGSMMNL-RYUDHWBXSA-N 1 0 388.501 1.657 20 0 GDADRO CC1(C)CC(C[NH2+]CC2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCOCC2)C1 ZINC001575639297 950864562 /nfs/dbraw/zinc/86/45/62/950864562.db2.gz QLLKZPXHBUZAHX-UHFFFAOYSA-N 1 0 387.488 1.500 20 0 GDADRO CC(C)CCCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001574189286 950875302 /nfs/dbraw/zinc/87/53/02/950875302.db2.gz HSNUAHAYVWZMMS-UHFFFAOYSA-N 1 0 387.488 1.587 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(CO)cc1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527140 950879266 /nfs/dbraw/zinc/87/92/66/950879266.db2.gz AAKXWJUELLQNLN-QWHCGFSZSA-N 1 0 383.456 1.374 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccn(C)n1 ZINC001574527554 950891815 /nfs/dbraw/zinc/89/18/15/950891815.db2.gz DHEFMAMETBHPIN-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cn(C)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574527600 950895696 /nfs/dbraw/zinc/89/56/96/950895696.db2.gz DURZXXSWTHWLLL-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)(CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573893824 950902736 /nfs/dbraw/zinc/90/27/36/950902736.db2.gz YIDVQWYLTOEHRN-JTQLQIEISA-N 1 0 383.378 1.675 20 0 GDADRO CC(C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001574190492 950912170 /nfs/dbraw/zinc/91/21/70/950912170.db2.gz YKOMNBAYCYXVFC-QZTJIDSGSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001576227538 950914850 /nfs/dbraw/zinc/91/48/50/950914850.db2.gz DQOKVTWLILTCIX-DZGCQCFKSA-N 1 0 384.488 1.395 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575643273 950966168 /nfs/dbraw/zinc/96/61/68/950966168.db2.gz LCSWPMPWHWOSAF-DLBZAZTESA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H]1CN(C(=O)C2CCOCC2)CC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576229879 950984290 /nfs/dbraw/zinc/98/42/90/950984290.db2.gz ONJGOCSTBWDRJR-ZFWWWQNUSA-N 1 0 385.472 1.007 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001575938580 950986536 /nfs/dbraw/zinc/98/65/36/950986536.db2.gz LNHYOHJNGKNMKZ-QAPCUYQASA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccnn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574530802 950999299 /nfs/dbraw/zinc/99/92/99/950999299.db2.gz XHQAXULGCSWHOD-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575023745 951081634 /nfs/dbraw/zinc/08/16/34/951081634.db2.gz PDGALNHAWRDSEL-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024983 951122517 /nfs/dbraw/zinc/12/25/17/951122517.db2.gz QZCPUDNWQFEALB-AWEZNQCLSA-N 1 0 379.468 1.841 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(C(F)(F)F)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575026701 951145095 /nfs/dbraw/zinc/14/50/95/951145095.db2.gz MCUKCFQAJJRVBV-VIFPVBQESA-N 1 0 392.345 1.328 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1COCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575029710 951190137 /nfs/dbraw/zinc/19/01/37/951190137.db2.gz WYZMXCTZACKVKI-CQSZACIVSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@@H](CNC(=O)c1cccnc1C1CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575031783 951204888 /nfs/dbraw/zinc/20/48/88/951204888.db2.gz IPZYHDZCFJUQJT-LBPRGKRZSA-N 1 0 378.440 1.789 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575034998 951262644 /nfs/dbraw/zinc/26/26/44/951262644.db2.gz RUCPOYDVRNDQAA-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)c1ccn(C(F)F)n1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575036851 951302435 /nfs/dbraw/zinc/30/24/35/951302435.db2.gz XQZDEXJEXHTNNZ-NSHDSACASA-N 1 0 390.398 1.709 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)c1 ZINC001575038850 951326318 /nfs/dbraw/zinc/32/63/18/951326318.db2.gz MGENKUQUYDXQEE-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@H](CNC(=O)c1cncc(F)c1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575045350 951425299 /nfs/dbraw/zinc/42/52/99/951425299.db2.gz AGLIPROWQYKJTK-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575045740 951432703 /nfs/dbraw/zinc/43/27/03/951432703.db2.gz GMJADUBQLTUINN-GFCCVEGCSA-N 1 0 381.444 1.049 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575046270 951437220 /nfs/dbraw/zinc/43/72/20/951437220.db2.gz MGHUKSCQMOWFKE-LLVKDONJSA-N 1 0 384.419 1.057 20 0 GDADRO C[C@@H](CNC(=O)c1cncnc1C1CC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575047024 951451792 /nfs/dbraw/zinc/45/17/92/951451792.db2.gz XLCKAFRZWHVIPH-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)cn1 ZINC001575054087 951487006 /nfs/dbraw/zinc/48/70/06/951487006.db2.gz VNKOTDHKSDTPET-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@H](CNC(=O)c1ncc(F)cc1F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575062531 951571002 /nfs/dbraw/zinc/57/10/02/951571002.db2.gz XKDQKHKEQLAXRE-SECBINFHSA-N 1 0 391.357 1.587 20 0 GDADRO C[C@H](CNC(=O)c1occ2c1CCC2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575066374 951594445 /nfs/dbraw/zinc/59/44/45/951594445.db2.gz KVNMGPBMRKVHGN-LLVKDONJSA-N 1 0 384.415 1.996 20 0 GDADRO C[C@@H](CNC(=O)c1nn(C)cc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067803 951623931 /nfs/dbraw/zinc/62/39/31/951623931.db2.gz ZJBSHDOUQDQTBM-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575067955 951627297 /nfs/dbraw/zinc/62/72/97/951627297.db2.gz SVINCKVZPBVSFT-SNVBAGLBSA-N 1 0 389.489 1.183 20 0 GDADRO C[C@@H](CNC(=O)c1onc2c1CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575069894 951647529 /nfs/dbraw/zinc/64/75/29/951647529.db2.gz NBYHEBQJDQYDPS-LBPRGKRZSA-N 1 0 381.440 1.642 20 0 GDADRO C[C@@H](CNC(=O)c1ccncc1F)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077615 951673400 /nfs/dbraw/zinc/67/34/00/951673400.db2.gz HEPBWZDHNVOPBV-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccnc1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077834 951674104 /nfs/dbraw/zinc/67/41/04/951674104.db2.gz ILIFKGBYNRABEH-CYBMUJFWSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@H](CNC(=O)C1CCOCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079579 951694914 /nfs/dbraw/zinc/69/49/14/951694914.db2.gz RPVAQCFSUHYRCP-LBPRGKRZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001575079737 951696558 /nfs/dbraw/zinc/69/65/58/951696558.db2.gz GDOCBEMOUREWJD-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]C[C@H](O)c1ccccc1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575081454 951724496 /nfs/dbraw/zinc/72/44/96/951724496.db2.gz UZYBYJZGHPGZPL-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1cc(O)ccc1Cl ZINC001575082586 951735718 /nfs/dbraw/zinc/73/57/18/951735718.db2.gz XMWJAJNPIMGKLO-JTQLQIEISA-N 1 0 389.847 1.710 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1nccs1 ZINC001575082969 951739983 /nfs/dbraw/zinc/73/99/83/951739983.db2.gz ZYWCXPIOODBRFN-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088874 951742454 /nfs/dbraw/zinc/74/24/54/951742454.db2.gz CHIJUMDZKGZRPK-LIRRHRJNSA-N 1 0 392.463 1.712 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575090144 951756726 /nfs/dbraw/zinc/75/67/26/951756726.db2.gz JQWAHZBMLJBPDQ-SUMWQHHRSA-N 1 0 376.486 1.482 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)n1cccc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090349 951760980 /nfs/dbraw/zinc/76/09/80/951760980.db2.gz KUPRERKSVKPTRW-KBPBESRZSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@@H](CNC(=O)CCc1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090646 951761548 /nfs/dbraw/zinc/76/15/48/951761548.db2.gz MZLSBBJCYWBSQS-GFCCVEGCSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575090940 951765535 /nfs/dbraw/zinc/76/55/35/951765535.db2.gz OLVDUTXCOGPPHR-IFXJQAMLSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001575091015 951766888 /nfs/dbraw/zinc/76/68/88/951766888.db2.gz MWSDRQOSUSMLJN-IBGZPJMESA-N 1 0 384.484 1.546 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)n1cccn1 ZINC001575091099 951768265 /nfs/dbraw/zinc/76/82/65/951768265.db2.gz PCCLKIASSGIHPL-CHWSQXEVSA-N 1 0 386.435 1.305 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1ccncc1)C1CC1 ZINC001575091378 951774926 /nfs/dbraw/zinc/77/49/26/951774926.db2.gz QHCAKNYKFFWEHK-FQEVSTJZSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575091688 951781840 /nfs/dbraw/zinc/78/18/40/951781840.db2.gz UQOSAIOBUAMSDN-JSGCOSHPSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001575091939 951787072 /nfs/dbraw/zinc/78/70/72/951787072.db2.gz ZIPTXDXYRDVNPU-KRWDZBQOSA-N 1 0 390.513 1.608 20 0 GDADRO CC(C)n1ccc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001575093048 951796348 /nfs/dbraw/zinc/79/63/48/951796348.db2.gz HPFKAFFSKJXHPF-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](CNC(=O)c1cn2cccnc2n1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093803 951800742 /nfs/dbraw/zinc/80/07/42/951800742.db2.gz KSRGTXWKFSMKKE-ZDUSSCGKSA-N 1 0 391.439 1.065 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C1(F)CCOCC1 ZINC001575099360 951832050 /nfs/dbraw/zinc/83/20/50/951832050.db2.gz KOWGVBYLQMUOAR-LLVKDONJSA-N 1 0 382.465 1.383 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099425 951835529 /nfs/dbraw/zinc/83/55/29/951835529.db2.gz LSDWURDZJQSYCE-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1ccccn1 ZINC001575099585 951836874 /nfs/dbraw/zinc/83/68/74/951836874.db2.gz NKDVSZMDUILXDF-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100073 951842602 /nfs/dbraw/zinc/84/26/02/951842602.db2.gz QOGNJCRAZBHLAZ-VXGBXAGGSA-N 1 0 388.501 1.372 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001575100483 951844895 /nfs/dbraw/zinc/84/48/95/951844895.db2.gz SWVHAIYHBCABDX-INIZCTEOSA-N 1 0 390.448 1.479 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCCn1ccnc1 ZINC001575100557 951846826 /nfs/dbraw/zinc/84/68/26/951846826.db2.gz UAJHUGWJUBKOBT-CYBMUJFWSA-N 1 0 388.501 1.542 20 0 GDADRO C[C@H](CNC(=O)C[C@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100940 951850698 /nfs/dbraw/zinc/85/06/98/951850698.db2.gz XGEABGLHQQKEOD-GTNSWQLSSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)(NC(=O)c1ccon1)C1CC1 ZINC001575101397 951857603 /nfs/dbraw/zinc/85/76/03/951857603.db2.gz DAEUOFCYKZFJSP-GOSISDBHSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101714 951863257 /nfs/dbraw/zinc/86/32/57/951863257.db2.gz IUUGYSFGIQKMRD-OCCSQVGLSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103444 951876386 /nfs/dbraw/zinc/87/63/86/951876386.db2.gz UIMIWLUEBFJZCN-UKRRQHHQSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1cccc(=O)[nH]1 ZINC001575105408 951893523 /nfs/dbraw/zinc/89/35/23/951893523.db2.gz JBWGFTPIUQCBJL-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)cc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575105420 951894427 /nfs/dbraw/zinc/89/44/27/951894427.db2.gz JEISIHSANFUNPE-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CNC(=O)c1conc1C1CC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108795 951926119 /nfs/dbraw/zinc/92/61/19/951926119.db2.gz NOYFMFDVQGVZTJ-LBPRGKRZSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1OCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108808 951926287 /nfs/dbraw/zinc/92/62/87/951926287.db2.gz NQFAAYPZIMRTBE-CQSZACIVSA-N 1 0 392.463 1.957 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001575110001 951934900 /nfs/dbraw/zinc/93/49/00/951934900.db2.gz XDJYQLFKJMFGIA-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO 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C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575145255 952182132 /nfs/dbraw/zinc/18/21/32/952182132.db2.gz UKVWEEWOMKHIHU-DINDLPBHSA-N 1 0 377.399 1.282 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575146002 952189699 /nfs/dbraw/zinc/18/96/99/952189699.db2.gz FMTCWKVKNVXEGF-NHYWBVRUSA-N 1 0 381.415 1.421 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575146274 952192737 /nfs/dbraw/zinc/19/27/37/952192737.db2.gz JROGZAVKJGIRKD-LLVKDONJSA-N 1 0 382.428 1.051 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575146641 952195424 /nfs/dbraw/zinc/19/54/24/952195424.db2.gz MPWHJOVFCPDSAN-IUODEOHRSA-N 1 0 379.424 1.119 20 0 GDADRO C[C@H](CNc1nccnc1-c1nn[nH]n1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575173793 952356293 /nfs/dbraw/zinc/35/62/93/952356293.db2.gz ABGJKQVMEQKOME-CQSZACIVSA-N 1 0 387.492 1.182 20 0 GDADRO Cc1cc(NC[C@@H]2CCN(C(=O)C(C)(C)F)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571118015 952485879 /nfs/dbraw/zinc/48/58/79/952485879.db2.gz RVCAOGBORHDOEI-YPMHNXCESA-N 1 0 375.452 1.637 20 0 GDADRO C[C@H](Cc1cnn(C)c1)C(=O)N(C)CC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575199187 952487455 /nfs/dbraw/zinc/48/74/55/952487455.db2.gz ANCDGVYPXMRBFJ-CQSZACIVSA-N 1 0 382.472 1.027 20 0 GDADRO O=C(N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1(c2ccccc2)CC1 ZINC001571118650 952489924 /nfs/dbraw/zinc/48/99/24/952489924.db2.gz YBLVEJNVDXBQEH-OAHLLOKOSA-N 1 0 375.436 1.428 20 0 GDADRO O=C(C1CC(F)(F)C1)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571119417 952491382 /nfs/dbraw/zinc/49/13/82/952491382.db2.gz BGKMLEFWMTXLNN-OAHLLOKOSA-N 1 0 376.411 1.993 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)s1)NCC1CC[NH+](CC2CC2)CC1 ZINC001571119619 952494544 /nfs/dbraw/zinc/49/45/44/952494544.db2.gz DJFACUFZJSGQOG-UHFFFAOYSA-N 1 0 375.502 1.849 20 0 GDADRO O=C(CC1CC(F)(F)C1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571120121 952498753 /nfs/dbraw/zinc/49/87/53/952498753.db2.gz JMZCJCUMSXDQOS-HNNXBMFYSA-N 1 0 376.411 1.993 20 0 GDADRO CC(F)(F)C1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001571120184 952500956 /nfs/dbraw/zinc/50/09/56/952500956.db2.gz KOKCYZGNUXMWAM-AWEZNQCLSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575201657 952507033 /nfs/dbraw/zinc/50/70/33/952507033.db2.gz JVUSSMPBUKCOHR-ZIAGYGMSSA-N 1 0 382.472 1.405 20 0 GDADRO CC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC(F)(F)C1 ZINC001571120698 952507391 /nfs/dbraw/zinc/50/73/91/952507391.db2.gz PQVYYHKKGBINTQ-CQSZACIVSA-N 1 0 376.411 1.993 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001571120651 952507727 /nfs/dbraw/zinc/50/77/27/952507727.db2.gz OTCJOTCKUUEFQK-LSDHHAIUSA-N 1 0 376.411 1.945 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)[C@@H]1CCCO1 ZINC001571121696 952520327 /nfs/dbraw/zinc/52/03/27/952520327.db2.gz BQVJMVUYPPHNBG-AWEZNQCLSA-N 1 0 376.486 1.435 20 0 GDADRO Cc1nsc(N[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1-c1nn[nH]n1 ZINC001571121891 952522664 /nfs/dbraw/zinc/52/26/64/952522664.db2.gz DKHFNSPORQJRDD-LLVKDONJSA-N 1 0 376.490 1.129 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(-c2nn[nH]n2)c1Br ZINC001571122281 952524793 /nfs/dbraw/zinc/52/47/93/952524793.db2.gz IEXLXJADBWNVPV-SECBINFHSA-N 1 0 377.246 1.596 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001571122801 952526792 /nfs/dbraw/zinc/52/67/92/952526792.db2.gz LLJPYMWOJKXZGG-FMRSBHEDSA-N 1 0 376.848 1.550 20 0 GDADRO CC[C@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571122843 952527414 /nfs/dbraw/zinc/52/74/14/952527414.db2.gz MMHVABHFXHTKFW-CJNGLKHVSA-N 1 0 376.436 1.511 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571122845 952527460 /nfs/dbraw/zinc/52/74/60/952527460.db2.gz MMHVABHFXHTKFW-XJKSGUPXSA-N 1 0 376.436 1.511 20 0 GDADRO CC(F)(F)C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001575210457 952540226 /nfs/dbraw/zinc/54/02/26/952540226.db2.gz DXXNEOGFYQGEQM-UHFFFAOYSA-N 1 0 382.390 1.989 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)C3CC(F)(F)C3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124602 952541554 /nfs/dbraw/zinc/54/15/54/952541554.db2.gz OQMSYFVKBVOSAS-XPTSAGLGSA-N 1 0 377.399 1.296 20 0 GDADRO Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571127365 952553672 /nfs/dbraw/zinc/55/36/72/952553672.db2.gz FLOJSFPGKWOASS-QGZVFWFLSA-N 1 0 377.452 1.965 20 0 GDADRO Cc1cnccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571127580 952557922 /nfs/dbraw/zinc/55/79/22/952557922.db2.gz JCMZRXXTVMZGRN-QGZVFWFLSA-N 1 0 377.452 1.965 20 0 GDADRO O=C(Cc1ccccc1)N[C@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571128062 952562630 /nfs/dbraw/zinc/56/26/30/952562630.db2.gz OLPAMVOKVDWHHA-CVEARBPZSA-N 1 0 377.452 1.623 20 0 GDADRO CCN(C(=O)c1ccccn1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571128143 952563129 /nfs/dbraw/zinc/56/31/29/952563129.db2.gz OYVODFCMSBXXOV-KRWDZBQOSA-N 1 0 377.452 1.998 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575214499 952565176 /nfs/dbraw/zinc/56/51/76/952565176.db2.gz LMSFLTRWEIEOCB-SECBINFHSA-N 1 0 388.444 1.176 20 0 GDADRO Cc1ccnc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571134046 952584960 /nfs/dbraw/zinc/58/49/60/952584960.db2.gz CHXFXGXMEKRGFV-OAHLLOKOSA-N 1 0 378.440 1.312 20 0 GDADRO Cc1ccncc1CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571134334 952588244 /nfs/dbraw/zinc/58/82/44/952588244.db2.gz HNJXZVDSFYQTBC-OAHLLOKOSA-N 1 0 378.440 1.033 20 0 GDADRO CCc1ncncc1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571134346 952589198 /nfs/dbraw/zinc/58/91/98/952589198.db2.gz DNGNYKDTWWBFRA-UHFFFAOYSA-N 1 0 378.440 1.081 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2ccncn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571135290 952601472 /nfs/dbraw/zinc/60/14/72/952601472.db2.gz STDWDFZPJVXSFF-XJKSGUPXSA-N 1 0 378.440 1.440 20 0 GDADRO CC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN(C(=O)c2ccncn2)CC1 ZINC001571135217 952601662 /nfs/dbraw/zinc/60/16/62/952601662.db2.gz RHNQZMZXZPHOKX-UHFFFAOYSA-N 1 0 378.440 1.441 20 0 GDADRO O=C(c1ncc[nH]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571140975 952629322 /nfs/dbraw/zinc/62/93/22/952629322.db2.gz DFKBVZMMOMTLHW-HZPDHXFCSA-N 1 0 378.440 1.469 20 0 GDADRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)c1cncnc1 ZINC001571140971 952629864 /nfs/dbraw/zinc/62/98/64/952629864.db2.gz DEFAMXVKVXPODN-WKILWMFISA-N 1 0 378.440 1.488 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cnccn1 ZINC001571141524 952633523 /nfs/dbraw/zinc/63/35/23/952633523.db2.gz HYSGEWDWZCUPKK-INIZCTEOSA-N 1 0 378.440 1.441 20 0 GDADRO Cc1nnccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571141590 952635314 /nfs/dbraw/zinc/63/53/14/952635314.db2.gz IRYFGZICUDINDW-HNNXBMFYSA-N 1 0 378.440 1.360 20 0 GDADRO CC[C@H](OC)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571141997 952637779 /nfs/dbraw/zinc/63/77/79/952637779.db2.gz MWIHJNKOTDVIPZ-OCCSQVGLSA-N 1 0 378.502 1.681 20 0 GDADRO O=C(c1ccncn1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571141965 952638392 /nfs/dbraw/zinc/63/83/92/952638392.db2.gz LYTXUMSYTFKUGI-HNNXBMFYSA-N 1 0 378.440 1.299 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC001571142713 952645452 /nfs/dbraw/zinc/64/54/52/952645452.db2.gz WLIFKLDLLHRHPX-UHFFFAOYSA-N 1 0 378.845 1.457 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1conc1C1CC1 ZINC001571148422 952667179 /nfs/dbraw/zinc/66/71/79/952667179.db2.gz ZDJQVBMXMDJAER-HNNXBMFYSA-N 1 0 379.424 1.736 20 0 GDADRO C[N@H+](CCc1ccccc1)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571151142 952673630 /nfs/dbraw/zinc/67/36/30/952673630.db2.gz MCYOBNSDTFFCEL-UHFFFAOYSA-N 1 0 379.468 1.974 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571151576 952675633 /nfs/dbraw/zinc/67/56/33/952675633.db2.gz QXQWFDCMSDGYNB-MRXNPFEDSA-N 1 0 379.468 1.799 20 0 GDADRO Cc1cc(N2C[C@@H](NC(=O)c3cnccn3)CC[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571156576 952702123 /nfs/dbraw/zinc/70/21/23/952702123.db2.gz DLTRFMVEHNBCNF-OLZOCXBDSA-N 1 0 379.428 1.147 20 0 GDADRO O=C(c1cocn1)N1CCC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC[C@H]21 ZINC001571162475 952743844 /nfs/dbraw/zinc/74/38/44/952743844.db2.gz VDWMZBRQFMITPE-SWLSCSKDSA-N 1 0 380.412 1.381 20 0 GDADRO CCc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)nn1C ZINC001571165691 952753453 /nfs/dbraw/zinc/75/34/53/952753453.db2.gz HMVOQAHSPXEPQD-CQSZACIVSA-N 1 0 380.456 1.167 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@H]([C@H](C)Nc3cc[nH+]cc3-c3nn[nH]n3)C2)n1C ZINC001571169415 952773771 /nfs/dbraw/zinc/77/37/71/952773771.db2.gz BZLGFLDKAYETTP-KBPBESRZSA-N 1 0 380.456 1.293 20 0 GDADRO CCn1nccc1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169610 952776403 /nfs/dbraw/zinc/77/64/03/952776403.db2.gz HUQUIBFKWVZQAW-HNNXBMFYSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169824 952779275 /nfs/dbraw/zinc/77/92/75/952779275.db2.gz ORRHJROMEIWCNF-HOTGVXAUSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571170070 952783157 /nfs/dbraw/zinc/78/31/57/952783157.db2.gz SBIXNAWZSFGUEG-MRXNPFEDSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1[nH]ccc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571170906 952790290 /nfs/dbraw/zinc/79/02/90/952790290.db2.gz ZFIHHKFULMMKMG-BDJLRTHQSA-N 1 0 380.456 1.591 20 0 GDADRO Cn1cncc1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571171514 952793756 /nfs/dbraw/zinc/79/37/56/952793756.db2.gz BHDDDIIMYIQFNP-OAHLLOKOSA-N 1 0 380.456 1.385 20 0 GDADRO O[C@@H](C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)c1cccc(-c2nn[nH]n2)c1 ZINC001571172576 952808392 /nfs/dbraw/zinc/80/83/92/952808392.db2.gz XOVNFRJYWFVZQW-HOTGVXAUSA-N 1 0 380.456 1.317 20 0 GDADRO Cc1cc(CC(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C)no1 ZINC001571179228 952850758 /nfs/dbraw/zinc/85/07/58/952850758.db2.gz AGZZDFSNFTTXIH-BLLLJJGKSA-N 1 0 381.440 1.485 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCCO[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001571179246 952852523 /nfs/dbraw/zinc/85/25/23/952852523.db2.gz ANADHPGLYXAJHL-HNNXBMFYSA-N 1 0 381.440 1.216 20 0 GDADRO O=C(NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571179521 952853003 /nfs/dbraw/zinc/85/30/03/952853003.db2.gz FKEYIMUDEZLAGO-QGZVFWFLSA-N 1 0 381.440 1.123 20 0 GDADRO Cc1cc(N[C@H](C)[C@H]2CCN(C(=O)Cc3ccco3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571179412 952853188 /nfs/dbraw/zinc/85/31/88/952853188.db2.gz DIFKRXJDNXHDKL-KGLIPLIRSA-N 1 0 381.440 1.477 20 0 GDADRO Cc1noc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001571179976 952858171 /nfs/dbraw/zinc/85/81/71/952858171.db2.gz LJBAKYWBTJGQRD-BDJLRTHQSA-N 1 0 381.440 1.722 20 0 GDADRO Cc1cccc([C@@H](C)[N@H+]2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)c1 ZINC001571181741 952863935 /nfs/dbraw/zinc/86/39/35/952863935.db2.gz XRXLAXDJKVZVQT-JLZZUVOBSA-N 1 0 381.440 1.039 20 0 GDADRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(-c3cccc(-c4nn[nH]n4)c3)no2)C1(C)C ZINC001571182661 952867282 /nfs/dbraw/zinc/86/72/82/952867282.db2.gz AWXUWPZGBBHOQO-HOTGVXAUSA-N 1 0 381.440 1.980 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ncccc1F ZINC001571182704 952867301 /nfs/dbraw/zinc/86/73/01/952867301.db2.gz CDCLSIUFCQKOOQ-UHFFFAOYSA-N 1 0 381.415 1.699 20 0 GDADRO COc1ccc(CC[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1 ZINC001571182733 952868782 /nfs/dbraw/zinc/86/87/82/952868782.db2.gz CVGBVBXDKPLMMJ-OAHLLOKOSA-N 1 0 381.440 1.250 20 0 GDADRO CCc1nc(C(=O)N2CC[C@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571183102 952873547 /nfs/dbraw/zinc/87/35/47/952873547.db2.gz OOFJJNIGNWZXQJ-HNNXBMFYSA-N 1 0 381.440 1.764 20 0 GDADRO COc1cccc(C[N@@H+]2CC[C@](C)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571183136 952874202 /nfs/dbraw/zinc/87/42/02/952874202.db2.gz PUZRERNLZRAOFK-IBGZPJMESA-N 1 0 381.440 1.598 20 0 GDADRO COc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571183293 952876278 /nfs/dbraw/zinc/87/62/78/952876278.db2.gz WAFDRACOXSSESZ-CQSZACIVSA-N 1 0 381.440 1.550 20 0 GDADRO CCc1oncc1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571183301 952876444 /nfs/dbraw/zinc/87/64/44/952876444.db2.gz WFDJDUTYJNZBCJ-HNNXBMFYSA-N 1 0 381.440 1.764 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cncc(F)c1 ZINC001571183304 952876874 /nfs/dbraw/zinc/87/68/74/952876874.db2.gz WGGWTUKINGMCHA-MRXNPFEDSA-N 1 0 381.415 1.795 20 0 GDADRO C[C@@H]([NH2+]CC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1)c1cnccn1 ZINC001571183798 952882809 /nfs/dbraw/zinc/88/28/09/952882809.db2.gz JSNOXWPYIRAGHZ-GFCCVEGCSA-N 1 0 381.444 1.188 20 0 GDADRO CCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CCN(C(=O)c2cc[nH]n2)CC1 ZINC001571184255 952890402 /nfs/dbraw/zinc/89/04/02/952890402.db2.gz UVRVWTUMNFNPQR-UHFFFAOYSA-N 1 0 381.444 1.212 20 0 GDADRO Cc1c(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cnn1C(C)C ZINC001571185576 952902542 /nfs/dbraw/zinc/90/25/42/952902542.db2.gz NEMBFKKDILBWBJ-BETUJISGSA-N 1 0 381.444 1.142 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001571187943 952911308 /nfs/dbraw/zinc/91/13/08/952911308.db2.gz DDOZGDAPUIQWES-WCQYABFASA-N 1 0 381.444 1.129 20 0 GDADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)ncn1 ZINC001571188336 952913509 /nfs/dbraw/zinc/91/35/09/952913509.db2.gz ITLACDBCEJTLCU-HUUCEWRRSA-N 1 0 381.444 1.124 20 0 GDADRO CC(F)(F)C(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571193756 952952413 /nfs/dbraw/zinc/95/24/13/952952413.db2.gz BILGXWZYVJKALN-ZDUSSCGKSA-N 1 0 382.390 1.988 20 0 GDADRO Cc1cc(NCC2CC(NC(=O)c3cncc(F)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571196196 952980667 /nfs/dbraw/zinc/98/06/67/952980667.db2.gz IRNYJJGOVYDUSP-UHFFFAOYSA-N 1 0 382.403 1.147 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571197390 952990095 /nfs/dbraw/zinc/99/00/95/952990095.db2.gz YVUXAHOXCCSBAL-BDJLRTHQSA-N 1 0 382.403 1.046 20 0 GDADRO O=C(N[C@@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccc(F)cn1 ZINC001571200324 953008810 /nfs/dbraw/zinc/00/88/10/953008810.db2.gz HTKXXNWFQPIWPQ-WCQYABFASA-N 1 0 382.403 1.228 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@H](N(C)c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571200518 953009763 /nfs/dbraw/zinc/00/97/63/953009763.db2.gz CTGFWLOGLKHFFW-ZDUSSCGKSA-N 1 0 382.428 1.146 20 0 GDADRO O=C(c1ncccn1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571200773 953011741 /nfs/dbraw/zinc/01/17/41/953011741.db2.gz LPMQMSZLVOIWOV-UHFFFAOYSA-N 1 0 382.403 1.190 20 0 GDADRO O=C(c1ccoc1)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571201588 953018364 /nfs/dbraw/zinc/01/83/64/953018364.db2.gz RZMFEZDFTGBSNV-QGZVFWFLSA-N 1 0 382.424 1.481 20 0 GDADRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001571201981 953022092 /nfs/dbraw/zinc/02/20/92/953022092.db2.gz UGTYYNQOGQFLFJ-GYSYKLTISA-N 1 0 382.428 1.391 20 0 GDADRO Cc1cc(CCC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H]2C)no1 ZINC001571202530 953026689 /nfs/dbraw/zinc/02/66/89/953026689.db2.gz UPAHBRACAQGKAC-DOMZBBRYSA-N 1 0 382.428 1.014 20 0 GDADRO C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)CCOC1 ZINC001571209757 953066751 /nfs/dbraw/zinc/06/67/51/953066751.db2.gz CUWNNZPBCFTPJB-MBOZVWFJSA-N 1 0 382.468 1.326 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3CC4(CC4)C3)C2)cc1-c1nn[nH]n1 ZINC001571209829 953067858 /nfs/dbraw/zinc/06/78/58/953067858.db2.gz FUQOPBGCSBZNKG-SHTZXODSSA-N 1 0 382.468 1.802 20 0 GDADRO Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2nccs2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571209928 953068996 /nfs/dbraw/zinc/06/89/96/953068996.db2.gz IYDXZAJFMRXUDL-TXEJJXNPSA-N 1 0 382.453 1.520 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)[C@H]1CC12CCC2 ZINC001571210024 953070083 /nfs/dbraw/zinc/07/00/83/953070083.db2.gz LWNTUSWAOHWUME-DLTWYDFYSA-N 1 0 382.443 1.742 20 0 GDADRO CC1(C)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210682 953073832 /nfs/dbraw/zinc/07/38/32/953073832.db2.gz VOOCEZZDOFIRBX-VVLHAWIVSA-N 1 0 382.468 1.086 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@H]1CC12CCOCC2 ZINC001571210843 953075419 /nfs/dbraw/zinc/07/54/19/953075419.db2.gz YCXFNWPWCRVECU-NVXWUHKLSA-N 1 0 382.468 1.374 20 0 GDADRO O=C(c1cocn1)N1C[C@@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001571218306 953113867 /nfs/dbraw/zinc/11/38/67/953113867.db2.gz VSNNSLRWXKCKHR-BETUJISGSA-N 1 0 383.387 1.198 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3cnco3)C2)cc1-c1nn[nH]n1 ZINC001571218990 953121804 /nfs/dbraw/zinc/12/18/04/953121804.db2.gz IZLMXXAVEZDXRA-AAEUAGOBSA-N 1 0 383.412 1.256 20 0 GDADRO COc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)on1 ZINC001571219717 953126700 /nfs/dbraw/zinc/12/67/00/953126700.db2.gz QRXBSYVZUQFIPT-SMDDNHRTSA-N 1 0 383.412 1.256 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571230012 953173147 /nfs/dbraw/zinc/17/31/47/953173147.db2.gz QTZOBJCVOXHKAQ-IUODEOHRSA-N 1 0 383.431 1.832 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571230107 953173847 /nfs/dbraw/zinc/17/38/47/953173847.db2.gz RWSBBUODQRJULW-GASCZTMLSA-N 1 0 383.431 1.963 20 0 GDADRO Cc1[nH]ccc1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571230642 953178817 /nfs/dbraw/zinc/17/88/17/953178817.db2.gz ZEQCZHCFCVOKNX-CQSZACIVSA-N 1 0 383.431 1.894 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001571231459 953184996 /nfs/dbraw/zinc/18/49/96/953184996.db2.gz XGOSLCKKVZTZGG-AWEZNQCLSA-N 1 0 383.431 1.976 20 0 GDADRO Cc1cc(N2C[C@@H](NC(=O)C3=CCCCCC3)[C@@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232472 953187584 /nfs/dbraw/zinc/18/75/84/953187584.db2.gz GCIOIEABDLPUFE-WBVHZDCISA-N 1 0 383.456 1.126 20 0 GDADRO Cn1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)cn1 ZINC001571233677 953194330 /nfs/dbraw/zinc/19/43/30/953194330.db2.gz AACLYWHKIZQHIS-NNUKFRKNSA-N 1 0 383.460 1.007 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cscn1 ZINC001571233966 953197939 /nfs/dbraw/zinc/19/79/39/953197939.db2.gz JHPWSZQRGDHPQE-MLGOLLRUSA-N 1 0 383.481 1.645 20 0 GDADRO Cc1cc(C)nc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571234451 953202426 /nfs/dbraw/zinc/20/24/26/953202426.db2.gz YFMRSXHLTMIWQL-ZDUSSCGKSA-N 1 0 383.481 1.944 20 0 GDADRO O=C(Cc1ccco1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571239020 953235081 /nfs/dbraw/zinc/23/50/81/953235081.db2.gz FCBQVDQQMYVYEV-UHFFFAOYSA-N 1 0 384.415 1.922 20 0 GDADRO C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571239425 953238454 /nfs/dbraw/zinc/23/84/54/953238454.db2.gz LJNGWZVZNDMDBW-FZMZJTMJSA-N 1 0 384.419 1.227 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571241714 953248864 /nfs/dbraw/zinc/24/88/64/953248864.db2.gz JMXWNLQIEFONJX-UONOGXRCSA-N 1 0 384.419 1.560 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1=COCCO1 ZINC001571241886 953250829 /nfs/dbraw/zinc/25/08/29/953250829.db2.gz OMVHBACRIFFHQJ-HNNXBMFYSA-N 1 0 384.440 1.083 20 0 GDADRO Cc1nscc1C(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571245275 953272064 /nfs/dbraw/zinc/27/20/64/953272064.db2.gz RHVNCGJGFKEWKB-GFCCVEGCSA-N 1 0 384.469 1.331 20 0 GDADRO CC1(C)CN(C(=O)c2csnn2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571245426 953273934 /nfs/dbraw/zinc/27/39/34/953273934.db2.gz IFHQYVKECFWNAA-CQSZACIVSA-N 1 0 384.469 1.359 20 0 GDADRO CCc1ncc(C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571245650 953275055 /nfs/dbraw/zinc/27/50/55/953275055.db2.gz YCDGZBFRWKWGQK-UHFFFAOYSA-N 1 0 384.469 1.323 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@H]1CCCN1C(=O)c1ccncn1 ZINC001571245804 953277246 /nfs/dbraw/zinc/27/72/46/953277246.db2.gz ZDMGCKKYBPFSCI-GFCCVEGCSA-N 1 0 384.469 1.455 20 0 GDADRO CC(C)(O)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571247637 953284749 /nfs/dbraw/zinc/28/47/49/953284749.db2.gz BHQQRWQWKXFHPZ-DLBZAZTESA-N 1 0 384.484 1.451 20 0 GDADRO CC(C)C1(O)CC[NH+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC001571247747 953285723 /nfs/dbraw/zinc/28/57/23/953285723.db2.gz DGLNIWRTVCNHNE-QGZVFWFLSA-N 1 0 384.484 1.845 20 0 GDADRO Cc1ncsc1C(=O)N1CCC(N(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571247770 953285906 /nfs/dbraw/zinc/28/59/06/953285906.db2.gz DOBDXYHQOPQWGV-UHFFFAOYSA-N 1 0 384.469 1.768 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)CO1 ZINC001571247844 953287408 /nfs/dbraw/zinc/28/74/08/953287408.db2.gz GCAGMKBVJRFDHJ-BNEJOLLZSA-N 1 0 384.484 1.809 20 0 GDADRO Cc1oncc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571248067 953289321 /nfs/dbraw/zinc/28/93/21/953289321.db2.gz DFYXAVBRUNFZJQ-BZNIZROVSA-N 1 0 384.444 1.664 20 0 GDADRO CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3OC)CC[C@@H]2C1 ZINC001571248275 953291895 /nfs/dbraw/zinc/29/18/95/953291895.db2.gz PEGHBSKELMJWLY-WBVHZDCISA-N 1 0 384.484 1.956 20 0 GDADRO Cc1ncc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571248980 953299660 /nfs/dbraw/zinc/29/96/60/953299660.db2.gz NFXZBUGHZHCAOF-OCCSQVGLSA-N 1 0 384.444 1.570 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571249117 953301946 /nfs/dbraw/zinc/30/19/46/953301946.db2.gz DIDIWFPJXDZYGD-HZPDHXFCSA-N 1 0 384.488 1.173 20 0 GDADRO O=C(CC[C@H]1CCCCO1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571249783 953307373 /nfs/dbraw/zinc/30/73/73/953307373.db2.gz LZXUTJSGWRVOIJ-ZWKOTPCHSA-N 1 0 384.484 1.907 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001571249749 953307519 /nfs/dbraw/zinc/30/75/19/953307519.db2.gz LIFRRYRYRTXKQR-CABCVRRESA-N 1 0 384.488 1.539 20 0 GDADRO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001571250465 953311663 /nfs/dbraw/zinc/31/16/63/953311663.db2.gz RTDABKWJKYHDJS-GXFFZTMASA-N 1 0 384.444 1.583 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571250793 953312160 /nfs/dbraw/zinc/31/21/60/953312160.db2.gz SKICZIHONMBHPF-BPUTZDHNSA-N 1 0 384.488 1.441 20 0 GDADRO O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571252329 953326886 /nfs/dbraw/zinc/32/68/86/953326886.db2.gz LEONVUWFDWUESP-MRXNPFEDSA-N 1 0 384.488 1.541 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)NC2CC(CNc3ncccc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571252341 953327589 /nfs/dbraw/zinc/32/75/89/953327589.db2.gz LLJATRDMBDEMFS-VKJZCYHPSA-N 1 0 384.488 1.299 20 0 GDADRO CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571252581 953330663 /nfs/dbraw/zinc/33/06/63/953330663.db2.gz QJFSOCLTNSWGGA-RDJZCZTQSA-N 1 0 384.488 1.173 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cnco1 ZINC001571254258 953336866 /nfs/dbraw/zinc/33/68/66/953336866.db2.gz FELWNLBHJKLKKT-YPMHNXCESA-N 1 0 385.403 1.777 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)on1 ZINC001571254232 953337250 /nfs/dbraw/zinc/33/72/50/953337250.db2.gz DVPHUOAMYHQJKC-CQSZACIVSA-N 1 0 385.403 1.697 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571254646 953340950 /nfs/dbraw/zinc/34/09/50/953340950.db2.gz FPKSTKGHBZMESH-GFCCVEGCSA-N 1 0 384.831 1.367 20 0 GDADRO Cc1ccc(F)c(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c1F ZINC001571255111 953345423 /nfs/dbraw/zinc/34/54/23/953345423.db2.gz IPNGNWTXLZDZCI-PHIMTYICSA-N 1 0 385.378 1.643 20 0 GDADRO C[C@H]1CN(C(=O)Cc2ccon2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571255565 953350837 /nfs/dbraw/zinc/35/08/37/953350837.db2.gz QKUUOIPYRSRPMC-MEDUHNTESA-N 1 0 385.403 1.173 20 0 GDADRO Cc1conc1C(=O)N1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C ZINC001571255576 953351074 /nfs/dbraw/zinc/35/10/74/953351074.db2.gz QMUKJQJBXGDUGB-BXUZGUMPSA-N 1 0 385.403 1.695 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)CN1CC[NH+](C)CC1 ZINC001589066484 955750738 /nfs/dbraw/zinc/75/07/38/955750738.db2.gz IBLUYXLKFVJJSM-IRXDYDNUSA-N 1 0 378.517 1.554 20 0 GDADRO CC[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000874419741 956212724 /nfs/dbraw/zinc/21/27/24/956212724.db2.gz SUUXVULRWGZLSC-LJQANCHMSA-N 1 0 388.512 1.841 20 0 GDADRO C[NH+](C)Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c2c1OC(F)(F)O2 ZINC001604074848 972466283 /nfs/dbraw/zinc/46/62/83/972466283.db2.gz JRVDHUVTITWKLN-GUYCJALGSA-N 1 0 384.379 1.603 20 0 GDADRO C[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C(=O)[O-] ZINC000564925175 968420631 /nfs/dbraw/zinc/42/06/31/968420631.db2.gz JUJNGJQCDDIRFB-AEFFLSMTSA-N 1 0 389.500 1.346 20 0 GDADRO CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH+]([C@H](C)CC(=O)[O-])CC3)cc2)CC1 ZINC000829780407 979007478 /nfs/dbraw/zinc/00/74/78/979007478.db2.gz GQRCJNSVVSAQAW-QGZVFWFLSA-N 1 0 388.512 1.450 20 0 GDADRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC001592706784 979179321 /nfs/dbraw/zinc/17/93/21/979179321.db2.gz MXISTKBBSMXQBF-CVEARBPZSA-N 1 0 376.501 1.575 20 0 GDADRO CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)[NH+]1CCc2ccccc2C1 ZINC001595147519 979627984 /nfs/dbraw/zinc/62/79/84/979627984.db2.gz SVAUOUMLAFAJFO-OALUTQOASA-N 1 0 388.512 1.481 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589399604 986561240 /nfs/dbraw/zinc/56/12/40/986561240.db2.gz ZYKTYTXEFRNHJS-TXXUCJGISA-N 1 0 385.508 1.952 20 0 GDADRO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001598219366 990887413 /nfs/dbraw/zinc/88/74/13/990887413.db2.gz BTVKJMGESKXZHT-HNNXBMFYSA-N 1 0 394.520 1.331 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001598232670 990947542 /nfs/dbraw/zinc/94/75/42/990947542.db2.gz YHGZVJDZYNPNNV-INIZCTEOSA-N 1 0 385.468 1.497 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)C[C@H]1C[NH+](C)C ZINC001598246697 991007691 /nfs/dbraw/zinc/00/76/91/991007691.db2.gz VYKWMVGSJNXEDY-CHWSQXEVSA-N 1 0 397.545 1.708 20 0 GDADRO C[N@@H+]1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C[C@@H](C(=O)[O-])C1 ZINC001598607129 993683920 /nfs/dbraw/zinc/68/39/20/993683920.db2.gz NPUXVSCFAURUBB-OALUTQOASA-N 1 0 388.512 1.871 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC001598664803 994657584 /nfs/dbraw/zinc/65/75/84/994657584.db2.gz LPQPCNXJSITKJP-INIZCTEOSA-N 1 0 375.473 1.109 20 0 GDADRO C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001594148248 998503987 /nfs/dbraw/zinc/50/39/87/998503987.db2.gz ASRRHNHJPFBFET-NVXWUHKLSA-N 1 0 375.473 1.098 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)C1 ZINC001594226752 998868728 /nfs/dbraw/zinc/86/87/28/998868728.db2.gz QVLIZSMFYOVWGZ-PHSQPZKOSA-N 1 0 380.533 1.578 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001594237375 998904351 /nfs/dbraw/zinc/90/43/51/998904351.db2.gz XJHXJEXKLPNWID-GJZGRUSLSA-N 1 0 375.473 1.094 20 0 GDADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000373862029 1126080075 /nfs/dbraw/zinc/08/00/75/1126080075.db2.gz DPWOMLDLOMVUJH-UHFFFAOYSA-N 1 0 377.510 1.164 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000638606058 1126102324 /nfs/dbraw/zinc/10/23/24/1126102324.db2.gz VVECSAKGLGTJOB-HOTGVXAUSA-N 1 0 388.411 1.958 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)cc1OC ZINC000873192278 1126120493 /nfs/dbraw/zinc/12/04/93/1126120493.db2.gz CLLANBUXNYQAFZ-PXNSSMCTSA-N 1 0 390.484 1.558 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)cc1 ZINC000933430440 1126139295 /nfs/dbraw/zinc/13/92/95/1126139295.db2.gz HBLHJEDFNLZLTG-IBGZPJMESA-N 1 0 378.494 1.687 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)cc1 ZINC001591584108 1126216314 /nfs/dbraw/zinc/21/63/14/1126216314.db2.gz VCSAXOVVXXOLDY-IBGZPJMESA-N 1 0 394.439 1.001 20 0 GDADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cccc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001593498025 1126217604 /nfs/dbraw/zinc/21/76/04/1126217604.db2.gz ISALBWCXRWVRCZ-HUUCEWRRSA-N 1 0 378.358 1.886 20 0 GDADRO C[NH+](C)C1CN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)C1 ZINC000158364446 530531750 /nfs/dbraw/zinc/53/17/50/530531750.db2.gz WHDHBOAKTKTEJG-UHFFFAOYSA-N 1 0 379.507 1.613 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2)CC1 ZINC000158877634 530536649 /nfs/dbraw/zinc/53/66/49/530536649.db2.gz RDDSVPPTEZBYHE-GFCCVEGCSA-N 1 0 393.340 1.789 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000007406518 530545919 /nfs/dbraw/zinc/54/59/19/530545919.db2.gz KPXJUHQZFUQUPL-UHFFFAOYSA-N 1 0 375.922 1.908 20 0 GDADRO C[NH+](C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000010077746 530552027 /nfs/dbraw/zinc/55/20/27/530552027.db2.gz WAPQVSZWAAASTR-UHFFFAOYSA-N 1 0 388.921 1.308 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1cnc(Cl)c(Cl)c1 ZINC000161708367 530563287 /nfs/dbraw/zinc/56/32/87/530563287.db2.gz KDIIKHWHWZOGLK-LLVKDONJSA-N 1 0 382.313 1.904 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2ncc(Cl)c(Cl)c2=O)C1 ZINC000018248978 530567044 /nfs/dbraw/zinc/56/70/44/530567044.db2.gz WZDRFEXSTSBEDE-NSHDSACASA-N 1 0 377.272 1.023 20 0 GDADRO CN1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000162276444 530567159 /nfs/dbraw/zinc/56/71/59/530567159.db2.gz WFSBDBCWUBHQTE-CHWSQXEVSA-N 1 0 385.295 1.448 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N(C)CC[NH+](C)C)s1 ZINC000162980086 530572386 /nfs/dbraw/zinc/57/23/86/530572386.db2.gz BELHOODOXWUZGL-UHFFFAOYSA-N 1 0 385.305 1.479 20 0 GDADRO C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000163134319 530573643 /nfs/dbraw/zinc/57/36/43/530573643.db2.gz RKPRGCCURSTIMZ-BXKDBHETSA-N 1 0 381.230 1.665 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000163307994 530575045 /nfs/dbraw/zinc/57/50/45/530575045.db2.gz QMOMPHFEGVPYRQ-NSHDSACASA-N 1 0 389.880 1.684 20 0 GDADRO COC(=O)CNC(=O)CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163809132 530577956 /nfs/dbraw/zinc/57/79/56/530577956.db2.gz PKNRXLROCBXPDP-UHFFFAOYSA-N 1 0 398.301 1.246 20 0 GDADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000166326410 530582856 /nfs/dbraw/zinc/58/28/56/530582856.db2.gz GQYIJAICMIFKFW-UHFFFAOYSA-N 1 0 388.555 1.833 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1OC ZINC000170873663 530590225 /nfs/dbraw/zinc/59/02/25/530590225.db2.gz SLVSLRFVETXBNK-JTQLQIEISA-N 1 0 393.303 1.791 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000170856303 530590381 /nfs/dbraw/zinc/59/03/81/530590381.db2.gz GZISCMMGROEENL-GFCCVEGCSA-N 1 0 394.269 1.598 20 0 GDADRO CC[NH2+]CCCNS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000036299313 530614355 /nfs/dbraw/zinc/61/43/55/530614355.db2.gz XXLZKMAMXOFYGG-UHFFFAOYSA-N 1 0 381.292 1.744 20 0 GDADRO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000026214738 530584874 /nfs/dbraw/zinc/58/48/74/530584874.db2.gz RAKFNQHSXWYQRL-LBPRGKRZSA-N 1 0 382.302 1.993 20 0 GDADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000041717005 530623823 /nfs/dbraw/zinc/62/38/23/530623823.db2.gz BQMZWNCMPOUFNM-UHFFFAOYSA-N 1 0 389.905 1.529 20 0 GDADRO COc1c(Br)c(C)sc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000173176958 530625075 /nfs/dbraw/zinc/62/50/75/530625075.db2.gz OAHXGARGTJIFDW-UHFFFAOYSA-N 1 0 376.320 1.805 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1cccc(I)c1 ZINC000041950969 530625887 /nfs/dbraw/zinc/62/58/87/530625887.db2.gz RUGVGWMZCPAMSE-UHFFFAOYSA-N 1 0 376.238 1.989 20 0 GDADRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2c[nH]c(=O)c(Br)c2)C[C@@H](C)O1 ZINC000173248639 530626893 /nfs/dbraw/zinc/62/68/93/530626893.db2.gz RFPVQJDUJVECMD-BZPMIXESSA-N 1 0 398.301 1.851 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)COc2ccc(Br)cc2F)CC1 ZINC000042589737 530630217 /nfs/dbraw/zinc/63/02/17/530630217.db2.gz COGMHOIKPQMLOY-UHFFFAOYSA-N 1 0 388.281 1.721 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000173666842 530634386 /nfs/dbraw/zinc/63/43/86/530634386.db2.gz WQCDJFOMFMVVLD-MRXNPFEDSA-N 1 0 388.555 1.726 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)CSCc2cc(=O)n3ccsc3n2)CC1 ZINC000043935933 530636281 /nfs/dbraw/zinc/63/62/81/530636281.db2.gz XEDLEQHZVYOYIY-UHFFFAOYSA-N 1 0 380.539 1.978 20 0 GDADRO C[N@H+](CCc1cccs1)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000173753684 530636603 /nfs/dbraw/zinc/63/66/03/530636603.db2.gz YPBOGPLHZYFCAE-UHFFFAOYSA-N 1 0 381.523 1.229 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCc3c2cccc3Br)CC1=O ZINC000172758579 530617772 /nfs/dbraw/zinc/61/77/72/530617772.db2.gz IWVFEIAIXDXJQF-WBMJQRKESA-N 1 0 394.313 1.963 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000040693070 530620257 /nfs/dbraw/zinc/62/02/57/530620257.db2.gz JDHHZZWHLFHHGL-LLVKDONJSA-N 1 0 375.288 1.926 20 0 GDADRO C[NH+]1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)(N2CCOCC2)CC1 ZINC000040616358 530620476 /nfs/dbraw/zinc/62/04/76/530620476.db2.gz QLJVXQQAAICBFG-UHFFFAOYSA-N 1 0 387.933 1.415 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)CCS(C)(=O)=O)cc1 ZINC000173031405 530621124 /nfs/dbraw/zinc/62/11/24/530621124.db2.gz BPWWUMCBYHPWTD-OAHLLOKOSA-N 1 0 388.555 1.525 20 0 GDADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000173073525 530622286 /nfs/dbraw/zinc/62/22/86/530622286.db2.gz QNFWBEJPUIYQMT-CYBMUJFWSA-N 1 0 398.301 1.449 20 0 GDADRO CC[N@H+](C)CCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C ZINC000176299626 530680650 /nfs/dbraw/zinc/68/06/50/530680650.db2.gz HSSVMVFGQRLKII-UHFFFAOYSA-N 1 0 378.292 1.086 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000176355502 530681477 /nfs/dbraw/zinc/68/14/77/530681477.db2.gz JDTAMSRZYWJVNQ-CYBMUJFWSA-N 1 0 381.523 1.907 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2cc(F)cc(Br)c2)CC1=O ZINC000174174994 530644457 /nfs/dbraw/zinc/64/44/57/530644457.db2.gz RVJVPCUNGGBREL-LBPRGKRZSA-N 1 0 386.265 1.615 20 0 GDADRO C[C@@](O)(C[NH2+]Cc1cc2c(c(Br)c1)OCO2)CN1CCOCC1 ZINC000174485946 530649695 /nfs/dbraw/zinc/64/96/95/530649695.db2.gz CAVFOBRXFLWBET-MRXNPFEDSA-N 1 0 387.274 1.351 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[N@@H+]1CCC[C@H](C)C1 ZINC000046952075 530654495 /nfs/dbraw/zinc/65/44/95/530654495.db2.gz ZBNVGIDLVYYVIO-KBPBESRZSA-N 1 0 387.571 1.690 20 0 GDADRO CNC(=O)NC(=O)CC[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000174793560 530654524 /nfs/dbraw/zinc/65/45/24/530654524.db2.gz ZLKJIPXMVYGWJU-CYBMUJFWSA-N 1 0 397.317 1.973 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000175244287 530661662 /nfs/dbraw/zinc/66/16/62/530661662.db2.gz QXVJTKXOWQYFKS-UHFFFAOYSA-N 1 0 390.253 1.611 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000175242704 530662075 /nfs/dbraw/zinc/66/20/75/530662075.db2.gz QUSSRIKXDBHCLA-UHFFFAOYSA-N 1 0 390.253 1.611 20 0 GDADRO CN(CC(=O)NC[C@H](C1CC1)[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000047921596 530664026 /nfs/dbraw/zinc/66/40/26/530664026.db2.gz BKPMHTUDXWQYKF-LLVKDONJSA-N 1 0 379.935 1.478 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC000051122047 530677856 /nfs/dbraw/zinc/67/78/56/530677856.db2.gz NFNISIIAVQQSQG-UHFFFAOYSA-N 1 0 396.333 1.130 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)s1)NC1CC[NH+](C2CC2)CC1 ZINC000051284328 530678492 /nfs/dbraw/zinc/67/84/92/530678492.db2.gz MBUUWHWWLMXXOU-UHFFFAOYSA-N 1 0 386.315 1.983 20 0 GDADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000176695010 530688583 /nfs/dbraw/zinc/68/85/83/530688583.db2.gz PSPGBDRYPJPCBL-AWEZNQCLSA-N 1 0 387.933 1.951 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000177024589 530696101 /nfs/dbraw/zinc/69/61/01/530696101.db2.gz FQLWGQCVTSJDCG-LBPRGKRZSA-N 1 0 384.274 1.915 20 0 GDADRO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccc([S@@](C)=O)cc1 ZINC000177211344 530699500 /nfs/dbraw/zinc/69/95/00/530699500.db2.gz AADQZBMELPRRHB-RUZDIDTESA-N 1 0 379.404 1.634 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000177213103 530699532 /nfs/dbraw/zinc/69/95/32/530699532.db2.gz XXXFCACCTRBIRV-NSHDSACASA-N 1 0 398.248 1.963 20 0 GDADRO C[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177372315 530701788 /nfs/dbraw/zinc/70/17/88/530701788.db2.gz WCYVTGWNQFRSPY-NSHDSACASA-N 1 0 381.420 1.608 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177531652 530704717 /nfs/dbraw/zinc/70/47/17/530704717.db2.gz MHTKREIDLQHCLI-CFVMTHIKSA-N 1 0 387.933 1.996 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1Br ZINC000177566727 530705268 /nfs/dbraw/zinc/70/52/68/530705268.db2.gz PRUOBWSHCZMNHL-CYBMUJFWSA-N 1 0 397.317 1.448 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C1CC1 ZINC000055718777 530711807 /nfs/dbraw/zinc/71/18/07/530711807.db2.gz ITHCSXFYBNEIFK-HNNXBMFYSA-N 1 0 385.555 1.532 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(S(=O)(=O)CC)CC1)CC(C)C ZINC000052288895 530684621 /nfs/dbraw/zinc/68/46/21/530684621.db2.gz KQDHNKCUBKEXNU-MRXNPFEDSA-N 1 0 376.567 1.420 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000179196776 530736368 /nfs/dbraw/zinc/73/63/68/530736368.db2.gz HKGALEBOHARHJT-NSHDSACASA-N 1 0 377.304 1.809 20 0 GDADRO CC[NH+]1CCC(CNC(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC000057001803 530722401 /nfs/dbraw/zinc/72/24/01/530722401.db2.gz RTUBNXHVYVVKDB-UHFFFAOYSA-N 1 0 386.290 1.962 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1Br ZINC000178592587 530723145 /nfs/dbraw/zinc/72/31/45/530723145.db2.gz FYZBYCGBUUNLLL-SNVBAGLBSA-N 1 0 390.303 1.120 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000178606162 530724000 /nfs/dbraw/zinc/72/40/00/530724000.db2.gz RHWPIPIRVQFVQR-AWEZNQCLSA-N 1 0 379.507 1.999 20 0 GDADRO CC(C)(C(=O)NC[C@H]1CCC[NH2+]1)S(=O)(=O)c1ccc(Br)cc1 ZINC000178781330 530728412 /nfs/dbraw/zinc/72/84/12/530728412.db2.gz LSULVAYNZITSPN-GFCCVEGCSA-N 1 0 389.315 1.870 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000178831168 530729029 /nfs/dbraw/zinc/72/90/29/530729029.db2.gz ISOJPEKELCIMIF-CYBMUJFWSA-N 1 0 385.555 1.661 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)cc1Br ZINC000178950407 530732025 /nfs/dbraw/zinc/73/20/25/530732025.db2.gz ITYJGQWBHQCBDD-VIFPVBQESA-N 1 0 379.276 1.449 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000179012255 530733358 /nfs/dbraw/zinc/73/33/58/530733358.db2.gz MJBJFPZAHMVGQZ-GFCCVEGCSA-N 1 0 393.285 1.617 20 0 GDADRO CN(C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000179093004 530734762 /nfs/dbraw/zinc/73/47/62/530734762.db2.gz QATZJNUBZHASMT-HUUCEWRRSA-N 1 0 380.286 1.874 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)N(C)[C@@H]3CC[NH2+]C3)CC2=O)ccc1Br ZINC000179089617 530734900 /nfs/dbraw/zinc/73/49/00/530734900.db2.gz WYVBYMHDDPVYPM-TZMCWYRMSA-N 1 0 380.286 1.931 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)N(C)[C@@H]3CC[NH2+]C3)CC2=O)ccc1Br ZINC000179089689 530735032 /nfs/dbraw/zinc/73/50/32/530735032.db2.gz WYVBYMHDDPVYPM-GXTWGEPZSA-N 1 0 380.286 1.931 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Br)n1 ZINC000179860291 530751864 /nfs/dbraw/zinc/75/18/64/530751864.db2.gz PQKWCAXKQVWAAP-QWRGUYRKSA-N 1 0 381.274 1.832 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000066137199 530759437 /nfs/dbraw/zinc/75/94/37/530759437.db2.gz WOBWYQYKGRGFNM-STQMWFEESA-N 1 0 375.922 1.853 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)s1 ZINC000066410343 530761921 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GDADRO C[C@@H](CS(C)(=O)=O)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000182733683 530804141 /nfs/dbraw/zinc/80/41/41/530804141.db2.gz AYXGKXDFBXETFE-NSHDSACASA-N 1 0 377.304 1.592 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)C1 ZINC000182805016 530804815 /nfs/dbraw/zinc/80/48/15/530804815.db2.gz YGNRANGIAVUYSQ-GFCCVEGCSA-N 1 0 383.290 1.891 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccccc2Br)CC1 ZINC000068498245 530788614 /nfs/dbraw/zinc/78/86/14/530788614.db2.gz CCODPVJKHKSDHR-UHFFFAOYSA-N 1 0 382.302 1.979 20 0 GDADRO CS(=O)(=O)CCCS(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000077385562 530806829 /nfs/dbraw/zinc/80/68/29/530806829.db2.gz CDVWHHPSNZKFJF-UHFFFAOYSA-N 1 0 380.576 1.339 20 0 GDADRO COc1cc(C[NH2+]CC(=O)NC2CC2)cc(I)c1OC ZINC000068839997 530791604 /nfs/dbraw/zinc/79/16/04/530791604.db2.gz QHDDKDQHLCBJML-UHFFFAOYSA-N 1 0 390.221 1.677 20 0 GDADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](O)COCc2cccs2)c1 ZINC000181934547 530793080 /nfs/dbraw/zinc/79/30/80/530793080.db2.gz AQTQVBFUSWJCKR-ZFWWWQNUSA-N 1 0 384.523 1.885 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)nc1)CN1CC[NH+](C)CC1 ZINC000182073658 530794436 /nfs/dbraw/zinc/79/44/36/530794436.db2.gz YAPVPXYKTNIWFV-GFCCVEGCSA-N 1 0 380.436 1.262 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000102669472 530828705 /nfs/dbraw/zinc/82/87/05/530828705.db2.gz MRGWQYFOPBIWIV-CQSZACIVSA-N 1 0 385.302 1.991 20 0 GDADRO COc1cc(Br)ccc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000102788438 530830335 /nfs/dbraw/zinc/83/03/35/530830335.db2.gz SAQLAAHUIAUKCB-GFCCVEGCSA-N 1 0 398.301 1.775 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000184668875 530830663 /nfs/dbraw/zinc/83/06/63/530830663.db2.gz RTLFGERKJXHEQU-LLVKDONJSA-N 1 0 384.274 1.915 20 0 GDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)CCO1 ZINC000184744230 530831241 /nfs/dbraw/zinc/83/12/41/530831241.db2.gz DZKYKOKTYDSMKW-NSHDSACASA-N 1 0 381.267 1.539 20 0 GDADRO O=C(Nc1cnn(CCN2CCOCC2)c1)c1ccc(Br)cn1 ZINC000103100654 530832067 /nfs/dbraw/zinc/83/20/67/530832067.db2.gz QCPYVISCFIIVIC-UHFFFAOYSA-N 1 0 380.246 1.625 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)C[C@@H]12 ZINC000185059490 530835932 /nfs/dbraw/zinc/83/59/32/530835932.db2.gz QAWBPYXFWHZNGT-NWANDNLSSA-N 1 0 383.539 1.271 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1Br ZINC000183105377 530809108 /nfs/dbraw/zinc/80/91/08/530809108.db2.gz GVISJCIRAPPPOT-LLVKDONJSA-N 1 0 390.303 1.828 20 0 GDADRO CCN(CCOc1ccc(F)cc1Cl)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000091730000 530809593 /nfs/dbraw/zinc/80/95/93/530809593.db2.gz WIJHVEXDNRMCTC-CYBMUJFWSA-N 1 0 392.880 1.483 20 0 GDADRO COc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)nc1Br ZINC000183292848 530812789 /nfs/dbraw/zinc/81/27/89/530812789.db2.gz GNBPPLRQLPBECX-LBPRGKRZSA-N 1 0 386.290 1.819 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCC[NH+]1CCCC1 ZINC000183368264 530813867 /nfs/dbraw/zinc/81/38/67/530813867.db2.gz BTBNBRFRMUHZQP-UHFFFAOYSA-N 1 0 380.242 1.257 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000093907802 530814399 /nfs/dbraw/zinc/81/43/99/530814399.db2.gz SREMPHKIKUUHIL-UHFFFAOYSA-N 1 0 385.921 1.522 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000094123178 530816077 /nfs/dbraw/zinc/81/60/77/530816077.db2.gz XVWDABCSOJEISQ-GFCCVEGCSA-N 1 0 382.262 1.332 20 0 GDADRO O=S(=O)(NCC[NH2+]Cc1cncc(Br)c1)c1cccs1 ZINC000183749865 530820091 /nfs/dbraw/zinc/82/00/91/530820091.db2.gz IHFQOHQZPBBHAZ-UHFFFAOYSA-N 1 0 376.301 1.974 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000183921179 530822165 /nfs/dbraw/zinc/82/21/65/530822165.db2.gz VINITJFICVTKSM-UHFFFAOYSA-N 1 0 381.274 1.679 20 0 GDADRO CCOCC[NH+]1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000106106024 530846435 /nfs/dbraw/zinc/84/64/35/530846435.db2.gz PAVPTUPGJATFRY-MRXNPFEDSA-N 1 0 387.318 1.843 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000106895188 530850819 /nfs/dbraw/zinc/85/08/19/530850819.db2.gz FESWTRMSAJNFGM-GFCCVEGCSA-N 1 0 381.420 1.499 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3nnc(C(F)(F)F)s3)C2)CC1 ZINC000106939216 530851521 /nfs/dbraw/zinc/85/15/21/530851521.db2.gz ZVXFILMRCBWHFC-JTQLQIEISA-N 1 0 378.424 1.801 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000108331351 530856643 /nfs/dbraw/zinc/85/66/43/530856643.db2.gz ONMNOLKEIMUSBX-GFCCVEGCSA-N 1 0 396.285 1.633 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108307242 530856724 /nfs/dbraw/zinc/85/67/24/530856724.db2.gz FEOWJVRRNOXAPL-NSHDSACASA-N 1 0 377.919 1.280 20 0 GDADRO CC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186699132 530860444 /nfs/dbraw/zinc/86/04/44/530860444.db2.gz FPHCMUOPUDCDIY-CYBMUJFWSA-N 1 0 376.906 1.985 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000186683699 530860520 /nfs/dbraw/zinc/86/05/20/530860520.db2.gz KNYIXZMBQGAUOD-GXFFZTMASA-N 1 0 379.404 1.098 20 0 GDADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CSc1nncs1 ZINC000109590038 530863507 /nfs/dbraw/zinc/86/35/07/530863507.db2.gz IVDPKYVRASYIGU-ZDUSSCGKSA-N 1 0 386.543 1.896 20 0 GDADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(Br)c1 ZINC000110490860 530867351 /nfs/dbraw/zinc/86/73/51/530867351.db2.gz UXIGISWPZMZZLR-OLZOCXBDSA-N 1 0 375.288 1.591 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000110966829 530870961 /nfs/dbraw/zinc/87/09/61/530870961.db2.gz YNMWGKHHYWOZJT-ZDUSSCGKSA-N 1 0 381.523 1.954 20 0 GDADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1(C)C ZINC000187388014 530871771 /nfs/dbraw/zinc/87/17/71/530871771.db2.gz HREJSJYTTOPLER-RHSMWYFYSA-N 1 0 388.917 1.762 20 0 GDADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1(C)C ZINC000187388032 530872040 /nfs/dbraw/zinc/87/20/40/530872040.db2.gz HREJSJYTTOPLER-WMLDXEAASA-N 1 0 388.917 1.762 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1ccccc1OC(F)F)NC[C@@H]1CCCCO1 ZINC000111405358 530875315 /nfs/dbraw/zinc/87/53/15/530875315.db2.gz YXBWITOMRHEWEH-AWEZNQCLSA-N 1 0 378.441 1.866 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(Br)cc2N)CC1 ZINC000185259378 530838580 /nfs/dbraw/zinc/83/85/80/530838580.db2.gz AJQZDQZUQCCFGA-UHFFFAOYSA-N 1 0 397.317 1.658 20 0 GDADRO O=S1(=O)CCCN1CC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000105473335 530842738 /nfs/dbraw/zinc/84/27/38/530842738.db2.gz YOJBTJKQCOEKID-UHFFFAOYSA-N 1 0 387.299 1.850 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[NH+]2CCC1CC2 ZINC000188854747 530902550 /nfs/dbraw/zinc/90/25/50/530902550.db2.gz VGYQREGZJJUDIK-UHFFFAOYSA-N 1 0 392.253 1.352 20 0 GDADRO CN1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000116273447 530904279 /nfs/dbraw/zinc/90/42/79/530904279.db2.gz VSYZHERWVOOXLR-WCQYABFASA-N 1 0 381.274 1.725 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000189021046 530905340 /nfs/dbraw/zinc/90/53/40/530905340.db2.gz CYCRRJYKACFSCR-MNOVXSKESA-N 1 0 379.404 1.193 20 0 GDADRO CC[N@H+](C)CCNC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000112925448 530885538 /nfs/dbraw/zinc/88/55/38/530885538.db2.gz GXLNTEDGYSNPBT-UHFFFAOYSA-N 1 0 384.274 1.633 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114047186 530892489 /nfs/dbraw/zinc/89/24/89/530892489.db2.gz WXRMQOCSBTUDFI-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000114323834 530893740 /nfs/dbraw/zinc/89/37/40/530893740.db2.gz XTWVDBVVWSUSHD-CYBMUJFWSA-N 1 0 396.285 1.335 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188484290 530894866 /nfs/dbraw/zinc/89/48/66/530894866.db2.gz ZSPOPRBQGFYEHW-UHFFFAOYSA-N 1 0 392.257 1.495 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000114400800 530895460 /nfs/dbraw/zinc/89/54/60/530895460.db2.gz BDQCXMSROFRCEG-NSHDSACASA-N 1 0 389.315 1.876 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000119860594 530932099 /nfs/dbraw/zinc/93/20/99/530932099.db2.gz KVDKHYWUPCLKOT-LBPRGKRZSA-N 1 0 393.962 1.774 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000119971855 530933385 /nfs/dbraw/zinc/93/33/85/530933385.db2.gz OOBOSZAAHCCCKT-UHFFFAOYSA-N 1 0 391.906 1.077 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1)C1CC1 ZINC000118120853 530917067 /nfs/dbraw/zinc/91/70/67/530917067.db2.gz DDQIBUOVMJNXSJ-RUZDIDTESA-N 1 0 385.917 1.758 20 0 GDADRO C[C@H](C(=O)N(C)CC[NH+](C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000119439213 530925866 /nfs/dbraw/zinc/92/58/66/530925866.db2.gz YMPIYNBDEYPHSC-SNVBAGLBSA-N 1 0 382.258 1.454 20 0 GDADRO C[C@@H](NC(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000121512859 530957965 /nfs/dbraw/zinc/95/79/65/530957965.db2.gz ZZYMCWUIGDNLGS-CYBMUJFWSA-N 1 0 387.933 1.873 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000192031680 530960019 /nfs/dbraw/zinc/96/00/19/530960019.db2.gz YYMXMBUIPYKHSC-WDEREUQCSA-N 1 0 379.935 1.608 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)COc1ccc(I)cc1)[C@H](C)[NH3+] ZINC000192034566 530960181 /nfs/dbraw/zinc/96/01/81/530960181.db2.gz BHFZCNAXWHABEK-SCVCMEIPSA-N 1 0 392.237 1.130 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190939981 530940727 /nfs/dbraw/zinc/94/07/27/530940727.db2.gz CQJUOJAKEXSJCU-UHFFFAOYSA-N 1 0 394.216 1.096 20 0 GDADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000120583749 530942906 /nfs/dbraw/zinc/94/29/06/530942906.db2.gz IMCSAPHEFRPGNF-LBPRGKRZSA-N 1 0 388.295 1.993 20 0 GDADRO COc1cc(=O)n(CC(=O)NC2CC[NH+](C3CC3)CC2)cc1Br ZINC000120600459 530943646 /nfs/dbraw/zinc/94/36/46/530943646.db2.gz HGKCJJUHYYEQPI-UHFFFAOYSA-N 1 0 384.274 1.362 20 0 GDADRO CC(C)[C@H](C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)[NH+](C)C ZINC000121434320 530956518 /nfs/dbraw/zinc/95/65/18/530956518.db2.gz MRSNVWBBEIVAHY-CYBMUJFWSA-N 1 0 387.468 1.388 20 0 GDADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)N1CCOCC1 ZINC000192902680 530975882 /nfs/dbraw/zinc/97/58/82/530975882.db2.gz YMQMETRKOLEYPG-ZDUSSCGKSA-N 1 0 399.289 1.256 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NCC[NH+]1CCCCC1 ZINC000192992568 530977706 /nfs/dbraw/zinc/97/77/06/530977706.db2.gz YJWMUBNIPRFVIA-UHFFFAOYSA-N 1 0 388.921 1.403 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000193058683 530978812 /nfs/dbraw/zinc/97/88/12/530978812.db2.gz DUPYMWUPMCVGHS-UHFFFAOYSA-N 1 0 380.286 1.922 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000193145090 530980293 /nfs/dbraw/zinc/98/02/93/530980293.db2.gz WJJVYHLWHRZFQN-QWHCGFSZSA-N 1 0 385.302 1.914 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193151477 530980528 /nfs/dbraw/zinc/98/05/28/530980528.db2.gz VEKYQUQGAHNMCR-ZDUSSCGKSA-N 1 0 399.289 1.352 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC([NH3+])CC2)c(OC)cc1Br ZINC000193223203 530981501 /nfs/dbraw/zinc/98/15/01/530981501.db2.gz AVBGHVGWZBOOQR-UHFFFAOYSA-N 1 0 379.276 1.578 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000123300308 530982543 /nfs/dbraw/zinc/98/25/43/530982543.db2.gz GTXSVHZTSYFQJD-SNVBAGLBSA-N 1 0 377.869 1.683 20 0 GDADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(F)c(Br)cc2OC)CC1 ZINC000193273368 530982717 /nfs/dbraw/zinc/98/27/17/530982717.db2.gz JULZHKFUUDTPCY-UHFFFAOYSA-N 1 0 381.267 1.969 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000193302036 530983630 /nfs/dbraw/zinc/98/36/30/530983630.db2.gz PUEVNVJIFQEQNB-NSHDSACASA-N 1 0 390.303 1.780 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)s1 ZINC000123490785 530984156 /nfs/dbraw/zinc/98/41/56/530984156.db2.gz QOSPOETYZPXLPU-UHFFFAOYSA-N 1 0 396.376 1.769 20 0 GDADRO CCC[NH2+]CCNS(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000193346631 530984929 /nfs/dbraw/zinc/98/49/29/530984929.db2.gz PENZKYHKMWKSNV-UHFFFAOYSA-N 1 0 381.292 1.744 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Br)o2)C1)[C@H]1CCC[NH2+]1 ZINC000122094876 530966462 /nfs/dbraw/zinc/96/64/62/530966462.db2.gz 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O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC[NH2+]CC1 ZINC000237766498 531050137 /nfs/dbraw/zinc/05/01/37/531050137.db2.gz PEGQOWXUPLVEFA-UHFFFAOYSA-N 1 0 385.917 1.950 20 0 GDADRO [NH3+]C[C@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C1CC1 ZINC000237872346 531051349 /nfs/dbraw/zinc/05/13/49/531051349.db2.gz RCRZITUIQLONNX-ZDUSSCGKSA-N 1 0 375.288 1.217 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000237930480 531052710 /nfs/dbraw/zinc/05/27/10/531052710.db2.gz RAYIWULPGFLVSK-SECBINFHSA-N 1 0 396.332 1.129 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000237942896 531052859 /nfs/dbraw/zinc/05/28/59/531052859.db2.gz FZWZBYZVAHMAHZ-JTQLQIEISA-N 1 0 380.297 1.469 20 0 GDADRO CC[C@@H]([NH3+])C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000129926973 531056194 /nfs/dbraw/zinc/05/61/94/531056194.db2.gz YYGFQNKVSRPYNE-GFCCVEGCSA-N 1 0 377.304 1.855 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)NCC1CC[NH+](CCO)CC1 ZINC000130097423 531057821 /nfs/dbraw/zinc/05/78/21/531057821.db2.gz 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CC(C)c1ccc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261756197 531098096 /nfs/dbraw/zinc/09/80/96/531098096.db2.gz LNCSIYSPFWSXPX-HNNXBMFYSA-N 1 0 379.448 1.924 20 0 GDADRO O=C(Cc1ccccc1Br)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261757622 531098117 /nfs/dbraw/zinc/09/81/17/531098117.db2.gz FCCAQFUGGUBOKJ-CYBMUJFWSA-N 1 0 394.235 1.944 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)O1 ZINC000261780517 531098361 /nfs/dbraw/zinc/09/83/61/531098361.db2.gz MWTDNNBETNNMAJ-SCZZXKLOSA-N 1 0 377.754 1.524 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cnc(C4CC4)s3)CC2)cn1 ZINC000134356416 531099627 /nfs/dbraw/zinc/09/96/27/531099627.db2.gz IDALITRYFRUTFD-UHFFFAOYSA-N 1 0 381.527 1.697 20 0 GDADRO COc1cccc(SCC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000261824147 531099908 /nfs/dbraw/zinc/09/99/08/531099908.db2.gz HYFNYQIXQASAAH-AWEZNQCLSA-N 1 0 377.432 1.740 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)c2cccnc12 ZINC000261864056 531100697 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GDADRO CSCC[C@H]([NH3+])C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000262320665 531116928 /nfs/dbraw/zinc/11/69/28/531116928.db2.gz QZFVDSKSHJQKRH-LBPRGKRZSA-N 1 0 377.557 1.098 20 0 GDADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262407709 531119612 /nfs/dbraw/zinc/11/96/12/531119612.db2.gz CVWWVJAVVFYAKV-NSHDSACASA-N 1 0 392.294 1.256 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000139772346 531121053 /nfs/dbraw/zinc/12/10/53/531121053.db2.gz JARDEEICUSGKGX-CQSZACIVSA-N 1 0 383.290 1.572 20 0 GDADRO O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NC1CC[NH2+]CC1 ZINC000262504894 531122606 /nfs/dbraw/zinc/12/26/06/531122606.db2.gz JEUMHBBCQVKGPI-UHFFFAOYSA-N 1 0 375.288 1.232 20 0 GDADRO O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NCC[C@@H]1CC[NH2+]C1 ZINC000262579306 531124363 /nfs/dbraw/zinc/12/43/63/531124363.db2.gz NBWKGZFJZNPUKA-NSHDSACASA-N 1 0 394.324 1.778 20 0 GDADRO C[C@@H](COc1ccc(F)cc1F)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262583732 531125067 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C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000154802841 531189959 /nfs/dbraw/zinc/18/99/59/531189959.db2.gz ZYEIJCSEBFMUFJ-KFWWJZLASA-N 1 0 375.579 1.823 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264601480 531192435 /nfs/dbraw/zinc/19/24/35/531192435.db2.gz NMYOJJRDCGYTAO-CYBMUJFWSA-N 1 0 385.917 1.949 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000264575610 531191799 /nfs/dbraw/zinc/19/17/99/531191799.db2.gz SWVXNGPBNGKQEX-LBPRGKRZSA-N 1 0 389.905 1.041 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000155113112 531195565 /nfs/dbraw/zinc/19/55/65/531195565.db2.gz OLZXXDOJIGHLPE-CYBMUJFWSA-N 1 0 382.302 1.979 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000264697998 531197691 /nfs/dbraw/zinc/19/76/91/531197691.db2.gz DKIOWTLVWSAOEM-UHFFFAOYSA-N 1 0 384.311 1.937 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000264673700 531196699 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20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)[C@H](C)C1 ZINC000276577934 531215542 /nfs/dbraw/zinc/21/55/42/531215542.db2.gz JFTDONNKBGCPLH-VXGBXAGGSA-N 1 0 381.527 1.209 20 0 GDADRO O=C(C[N@@H+](CCO)[C@@H]1CCCSC1)N1CCN(Cc2cccs2)CC1 ZINC000433192439 531218066 /nfs/dbraw/zinc/21/80/66/531218066.db2.gz LLQNUIJVHGDNIE-MRXNPFEDSA-N 1 0 383.583 1.582 20 0 GDADRO O=C(C[N@@H+](CCO)[C@H]1CCCSC1)N1CCN(Cc2cccs2)CC1 ZINC000433192438 531218147 /nfs/dbraw/zinc/21/81/47/531218147.db2.gz LLQNUIJVHGDNIE-INIZCTEOSA-N 1 0 383.583 1.582 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000472294803 531224345 /nfs/dbraw/zinc/22/43/45/531224345.db2.gz IIXMFTPYVPNPSC-RDJZCZTQSA-N 1 0 397.313 1.962 20 0 GDADRO C[C@@H]1OCC[C@@H]1S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000520290816 531225100 /nfs/dbraw/zinc/22/51/00/531225100.db2.gz FNACXFKYEAACNZ-XIRDDKMYSA-N 1 0 376.563 1.687 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000290318190 531223374 /nfs/dbraw/zinc/22/33/74/531223374.db2.gz ZCPCQVMYBQEPQW-OAHLLOKOSA-N 1 0 391.559 1.005 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000290323677 531223691 /nfs/dbraw/zinc/22/36/91/531223691.db2.gz ZVALOYPXLDLBRS-AWEZNQCLSA-N 1 0 391.559 1.336 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000290435546 531231687 /nfs/dbraw/zinc/23/16/87/531231687.db2.gz SSWZCWGFMVMEBC-UHFFFAOYSA-N 1 0 392.308 1.650 20 0 GDADRO CC1(C)CN(C(=O)c2n[nH]c3ccc(I)cc32)CC[NH2+]1 ZINC000408323389 531232701 /nfs/dbraw/zinc/23/27/01/531232701.db2.gz ZOTMQORBKHRDHP-UHFFFAOYSA-N 1 0 384.221 1.992 20 0 GDADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccccc1I ZINC000521620903 531248676 /nfs/dbraw/zinc/24/86/76/531248676.db2.gz UTEUJTYGBCZSQL-UHFFFAOYSA-N 1 0 398.208 1.071 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000277022837 531249536 /nfs/dbraw/zinc/24/95/36/531249536.db2.gz MZZFHMPTDWYTAA-UHFFFAOYSA-N 1 0 390.307 1.019 20 0 GDADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000521210299 531240871 /nfs/dbraw/zinc/24/08/71/531240871.db2.gz DBZSEBRXYOYGGI-INIZCTEOSA-N 1 0 375.535 1.311 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000435172828 531256137 /nfs/dbraw/zinc/25/61/37/531256137.db2.gz GTHUFNCHVOEEHS-LBPRGKRZSA-N 1 0 390.575 1.673 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000435171133 531256256 /nfs/dbraw/zinc/25/62/56/531256256.db2.gz MZXBCRXHIGXTRD-UHFFFAOYSA-N 1 0 376.548 1.400 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000473907756 531262740 /nfs/dbraw/zinc/26/27/40/531262740.db2.gz BYGJYTYTHDEPSO-LBPRGKRZSA-N 1 0 375.516 1.719 20 0 GDADRO C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000349498620 531257932 /nfs/dbraw/zinc/25/79/32/531257932.db2.gz CQYSDLONNFYUCR-CYBMUJFWSA-N 1 0 390.531 1.094 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)C2(c3cncc(Br)c3)CC2)n1 ZINC000409608683 531260422 /nfs/dbraw/zinc/26/04/22/531260422.db2.gz ZYOCFEOESFARPK-UHFFFAOYSA-N 1 0 378.274 2.273 20 0 GDADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000473345130 531253154 /nfs/dbraw/zinc/25/31/54/531253154.db2.gz NRDRHQAOXJOKGP-LBPRGKRZSA-N 1 0 388.559 1.451 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NCC[N@H+]1CC=CCC1 ZINC000474010185 531266804 /nfs/dbraw/zinc/26/68/04/531266804.db2.gz PEYWQKDQRUMLTO-UHFFFAOYSA-N 1 0 386.905 1.179 20 0 GDADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000435735888 531269787 /nfs/dbraw/zinc/26/97/87/531269787.db2.gz REWKHXVJFRBFHG-HZPDHXFCSA-N 1 0 386.587 1.535 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000291059739 531273715 /nfs/dbraw/zinc/27/37/15/531273715.db2.gz CWJVWEUJABATBX-UHFFFAOYSA-N 1 0 380.869 1.944 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cccnc1Br ZINC000277472875 531285881 /nfs/dbraw/zinc/28/58/81/531285881.db2.gz JVIFTGXCXHOMHC-LBPRGKRZSA-N 1 0 381.274 1.916 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000291261473 531281451 /nfs/dbraw/zinc/28/14/51/531281451.db2.gz HDOYKZKRQIPQMB-LLVKDONJSA-N 1 0 383.290 1.939 20 0 GDADRO Cc1c(Br)cc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(=O)n1C ZINC000277454207 531283508 /nfs/dbraw/zinc/28/35/08/531283508.db2.gz OJRFPRUELJLXRG-ZDUSSCGKSA-N 1 0 398.301 1.251 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cncc(Br)c1 ZINC000277542662 531291757 /nfs/dbraw/zinc/29/17/57/531291757.db2.gz PVFMTHGDVYZMKT-AWEZNQCLSA-N 1 0 381.274 1.916 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000291495699 531293916 /nfs/dbraw/zinc/29/39/16/531293916.db2.gz NAMJUDZTECHEKU-LBPRGKRZSA-N 1 0 379.258 1.564 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410857205 531295199 /nfs/dbraw/zinc/29/51/99/531295199.db2.gz HYRSZCQACCVHJV-GFCCVEGCSA-N 1 0 382.302 1.915 20 0 GDADRO COc1cc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc(Cl)c1OCC(N)=O ZINC000475434832 531296282 /nfs/dbraw/zinc/29/62/82/531296282.db2.gz PSPIFIILQSBKFI-UHFFFAOYSA-N 1 0 390.889 1.270 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000525187264 531286646 /nfs/dbraw/zinc/28/66/46/531286646.db2.gz SISNIIVPNHFEEJ-JKSUJKDBSA-N 1 0 375.535 1.170 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CCNS(C)(=O)=O)s2)[C@@H](C)C1 ZINC000265992264 531303406 /nfs/dbraw/zinc/30/34/06/531303406.db2.gz MTONJFQCJAMSTC-DZGCQCFKSA-N 1 0 387.571 1.642 20 0 GDADRO COc1cc(C[N@H+](CCO)[C@H]2CCCSC2)cc(Cl)c1OCC(N)=O ZINC000475502522 531298377 /nfs/dbraw/zinc/29/83/77/531298377.db2.gz LICQNNGPIQEQII-ZDUSSCGKSA-N 1 0 388.917 1.903 20 0 GDADRO COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000476338760 531309501 /nfs/dbraw/zinc/30/95/01/531309501.db2.gz ZWQBRTDWJQZIKD-JKSUJKDBSA-N 1 0 376.519 1.091 20 0 GDADRO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000291801113 531314235 /nfs/dbraw/zinc/31/42/35/531314235.db2.gz PPCMBQGQGPGVRN-CQSZACIVSA-N 1 0 385.917 1.705 20 0 GDADRO CC[NH+](CC)CCSCC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000266133082 531314507 /nfs/dbraw/zinc/31/45/07/531314507.db2.gz DKTMKCZAYSHOAD-CQSZACIVSA-N 1 0 388.559 1.565 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000291956031 531325866 /nfs/dbraw/zinc/32/58/66/531325866.db2.gz QYAINUPQKPUTDQ-MRVPVSSYSA-N 1 0 398.348 1.617 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1Br ZINC000440408003 531336650 /nfs/dbraw/zinc/33/66/50/531336650.db2.gz PSASYRQZJPDWJL-KOLCDFICSA-N 1 0 393.303 1.824 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000440409679 531337739 /nfs/dbraw/zinc/33/77/39/531337739.db2.gz OOLXWDOWIGJLGI-BBRMVZONSA-N 1 0 389.543 1.586 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000440433767 531338909 /nfs/dbraw/zinc/33/89/09/531338909.db2.gz NNJGBMRASHIFJN-CABZTGNLSA-N 1 0 380.388 1.898 20 0 GDADRO Cc1nc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)ccc1Br ZINC000278033769 531328992 /nfs/dbraw/zinc/32/89/92/531328992.db2.gz IKGVXQLCFAZRKL-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000292037966 531330356 /nfs/dbraw/zinc/33/03/56/531330356.db2.gz HVFLWXUYHKBAEQ-LBPRGKRZSA-N 1 0 391.584 1.733 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)ncc1Br ZINC000411680137 531333033 /nfs/dbraw/zinc/33/30/33/531333033.db2.gz XCYXOANWVJLQFP-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO O=c1[nH]c2cc(Br)c(S(=O)(=O)N[C@@H]3CCC[NH2+]C3)cc2[nH]1 ZINC000440334533 531334072 /nfs/dbraw/zinc/33/40/72/531334072.db2.gz DNTNWDIDBSFRHK-SSDOTTSWSA-N 1 0 375.248 1.061 20 0 GDADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000292107503 531334409 /nfs/dbraw/zinc/33/44/09/531334409.db2.gz GWUQJXGBYZLQBD-XHDPSFHLSA-N 1 0 398.301 1.185 20 0 GDADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000478716003 531348308 /nfs/dbraw/zinc/34/83/08/531348308.db2.gz DUULQEIWZKFIJS-WFASDCNBSA-N 1 0 398.301 1.390 20 0 GDADRO C[C@@H](CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[N@@H+]1CCCC[C@@H]1C ZINC000478706763 531348555 /nfs/dbraw/zinc/34/85/55/531348555.db2.gz UMWYGGLCFJHJJJ-QWRGUYRKSA-N 1 0 387.278 1.091 20 0 GDADRO C[C@H](CC[NH3+])NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000440860083 531348809 /nfs/dbraw/zinc/34/88/09/531348809.db2.gz NOUYTNKGGIJPRK-CQSZACIVSA-N 1 0 389.543 1.267 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)s1 ZINC000292319035 531348931 /nfs/dbraw/zinc/34/89/31/531348931.db2.gz BJYPKWCVUCQMBC-UHFFFAOYSA-N 1 0 380.539 1.990 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C[NH3+] ZINC000440870933 531350380 /nfs/dbraw/zinc/35/03/80/531350380.db2.gz ZVDQTDYUMRHWHU-JTQLQIEISA-N 1 0 381.292 1.490 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC[N@@H+]1C ZINC000440955799 531351285 /nfs/dbraw/zinc/35/12/85/531351285.db2.gz HEXHHPFYIVHEEG-ZYHUDNBSSA-N 1 0 399.289 1.027 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CC34CC[NH2+]CC4)c(Cl)cc21 ZINC000528047236 531340440 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COC(=O)[C@@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)CC[N@H+](C)C1 ZINC000413906150 531423184 /nfs/dbraw/zinc/42/31/84/531423184.db2.gz RIWZYRPHUVMTNF-JTQLQIEISA-N 1 0 395.257 1.502 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)s1 ZINC000484770913 531424274 /nfs/dbraw/zinc/42/42/74/531424274.db2.gz UJLAPRQXVFPDJL-NSHDSACASA-N 1 0 376.500 1.554 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)COc1ccccc1Br ZINC000484790275 531424555 /nfs/dbraw/zinc/42/45/55/531424555.db2.gz LGVWFZJLDIDGGH-WTTBNOFXSA-N 1 0 399.329 1.936 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc(F)c1I ZINC000532750379 531424824 /nfs/dbraw/zinc/42/48/24/531424824.db2.gz JTTNTMFXKRUATB-SNVBAGLBSA-N 1 0 391.228 1.406 20 0 GDADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414124083 531431708 /nfs/dbraw/zinc/43/17/08/531431708.db2.gz BTHJHTMFOFBJMN-NWANDNLSSA-N 1 0 389.290 1.409 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)sc1C ZINC000533692864 531431845 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O=C(CCNC(=O)Nc1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000449702285 531473386 /nfs/dbraw/zinc/47/33/86/531473386.db2.gz DKWAPTMHVISNGM-AWEZNQCLSA-N 1 0 399.289 1.455 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449720163 531474318 /nfs/dbraw/zinc/47/43/18/531474318.db2.gz MNWRCOXMSNUFKC-KWQFWETISA-N 1 0 387.811 1.403 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)Nc2cccn(CC(F)(F)F)c2=O)CCSC1 ZINC000268097714 531474343 /nfs/dbraw/zinc/47/43/43/531474343.db2.gz DADJOAGVPZDBTP-AWEZNQCLSA-N 1 0 378.420 1.969 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000449711794 531474419 /nfs/dbraw/zinc/47/44/19/531474419.db2.gz FMXOVTHPQDAZMQ-CMPLNLGQSA-N 1 0 382.258 1.418 20 0 GDADRO CNS(=O)(=O)[C@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000363180879 531474567 /nfs/dbraw/zinc/47/45/67/531474567.db2.gz NDCWQDYXJIPGGV-AWEZNQCLSA-N 1 0 384.889 1.946 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1F ZINC000449710325 531474606 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Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000362703304 531461861 /nfs/dbraw/zinc/46/18/61/531461861.db2.gz FNURGTZUHVOZFH-HNNXBMFYSA-N 1 0 395.301 1.202 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2c(Br)cnn2C)CC1 ZINC000449821987 531477449 /nfs/dbraw/zinc/47/74/49/531477449.db2.gz BAZGHKKLXXUPLQ-OKILXGFUSA-N 1 0 398.349 1.813 20 0 GDADRO [NH3+]C[C@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)CCCO1 ZINC000415109084 531465894 /nfs/dbraw/zinc/46/58/94/531465894.db2.gz NLRMXKHCJASLKC-INIZCTEOSA-N 1 0 384.318 1.835 20 0 GDADRO COC(=O)Cn1cc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000449119951 531465911 /nfs/dbraw/zinc/46/59/11/531465911.db2.gz BGCXLJDIQQUQCS-CYBMUJFWSA-N 1 0 394.273 1.582 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCOCCO ZINC000449059982 531466517 /nfs/dbraw/zinc/46/65/17/531466517.db2.gz BTYYTTDBIQNBTM-NSHDSACASA-N 1 0 375.263 1.061 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[S@](C)=O ZINC000449164008 531467294 /nfs/dbraw/zinc/46/72/94/531467294.db2.gz XTIOXSQQNIBGAZ-XFNZEKPQSA-N 1 0 391.331 1.821 20 0 GDADRO CN(CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000363026769 531469368 /nfs/dbraw/zinc/46/93/68/531469368.db2.gz MWNUQCANNIGOTE-HUUCEWRRSA-N 1 0 385.917 1.704 20 0 GDADRO O=S1(=O)CC[C@@](O)(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000449410376 531469814 /nfs/dbraw/zinc/46/98/14/531469814.db2.gz ZDWRHRSKAWMVEK-OAHLLOKOSA-N 1 0 378.277 1.908 20 0 GDADRO O=S1(=O)CC[C@](O)(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000449409508 531470081 /nfs/dbraw/zinc/47/00/81/531470081.db2.gz UMPQVDKWIMBFLE-WBVHZDCISA-N 1 0 389.901 1.537 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000415266880 531470353 /nfs/dbraw/zinc/47/03/53/531470353.db2.gz HXGLSEJXHQIKHC-UHFFFAOYSA-N 1 0 398.257 1.433 20 0 GDADRO CCCOc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000449407327 531470680 /nfs/dbraw/zinc/47/06/80/531470680.db2.gz GTFKXZYXAGHJDI-HNNXBMFYSA-N 1 0 392.315 1.877 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)ccc1Br ZINC000415289683 531471309 /nfs/dbraw/zinc/47/13/09/531471309.db2.gz ALGVSQHDOZUDGP-SECBINFHSA-N 1 0 384.230 1.042 20 0 GDADRO C[N@H+](CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000363096236 531471893 /nfs/dbraw/zinc/47/18/93/531471893.db2.gz KDPOGGFJFQHUQV-LBPRGKRZSA-N 1 0 391.946 1.765 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)CS(=O)(=O)CC)s1 ZINC000540415909 531472379 /nfs/dbraw/zinc/47/23/79/531472379.db2.gz PATHSGQOQVRNGC-CYBMUJFWSA-N 1 0 396.600 1.734 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415355266 531478517 /nfs/dbraw/zinc/47/85/17/531478517.db2.gz FWPORIKFYFYYJY-MRVPVSSYSA-N 1 0 376.201 1.876 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cccc(F)c1I ZINC000415358658 531478551 /nfs/dbraw/zinc/47/85/51/531478551.db2.gz IWHABFSWUYMXFA-ZETCQYMHSA-N 1 0 379.173 1.222 20 0 GDADRO C[NH2+]CCN(C)C(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000415362607 531479146 /nfs/dbraw/zinc/47/91/46/531479146.db2.gz QBQNCTDAQKJLBD-UHFFFAOYSA-N 1 0 391.209 1.761 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1c(F)cc(C)cc1I ZINC000415364216 531479297 /nfs/dbraw/zinc/47/92/97/531479297.db2.gz TYTFJBQQUWNCLV-UHFFFAOYSA-N 1 0 379.173 1.013 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)C1 ZINC000415367450 531479689 /nfs/dbraw/zinc/47/96/89/531479689.db2.gz YHDBROPGALFRRN-LLVKDONJSA-N 1 0 384.274 1.915 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)CC1=O ZINC000363301470 531480188 /nfs/dbraw/zinc/48/01/88/531480188.db2.gz JPZCPVKZCZMUIB-STQMWFEESA-N 1 0 385.917 1.712 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2C(=O)OC)C1 ZINC000415379257 531480500 /nfs/dbraw/zinc/48/05/00/531480500.db2.gz QYSWFGQXHCOKER-LLVKDONJSA-N 1 0 398.257 1.385 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415378397 531480623 /nfs/dbraw/zinc/48/06/23/531480623.db2.gz PJUUAEDKGOGIIL-MRVPVSSYSA-N 1 0 376.201 1.876 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)NCC[C@H](C)[NH3+])c(I)c1 ZINC000415376380 531481042 /nfs/dbraw/zinc/48/10/42/531481042.db2.gz MOTWPFRUOFJLKX-QMMMGPOBSA-N 1 0 393.200 1.531 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415384811 531481561 /nfs/dbraw/zinc/48/15/61/531481561.db2.gz AFCFOQUBCUMNGW-NSHDSACASA-N 1 0 384.274 1.902 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1OC ZINC000415380675 531481673 /nfs/dbraw/zinc/48/16/73/531481673.db2.gz PTIUQIAWDRBMMJ-VIFPVBQESA-N 1 0 386.246 1.273 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415400783 531483395 /nfs/dbraw/zinc/48/33/95/531483395.db2.gz WGLSGYMKHNPACN-NSHDSACASA-N 1 0 384.274 1.820 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccncc1I ZINC000415426036 531484828 /nfs/dbraw/zinc/48/48/28/531484828.db2.gz MNWQWJORTUBZPM-LLVKDONJSA-N 1 0 376.242 1.945 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2I)CC[C@H]1[NH3+] ZINC000415428576 531485041 /nfs/dbraw/zinc/48/50/41/531485041.db2.gz CWWKCLXMQSLQGR-GXSJLCMTSA-N 1 0 387.221 1.425 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)CC[NH2+]1 ZINC000415449984 531486849 /nfs/dbraw/zinc/48/68/49/531486849.db2.gz ZBGPMRGAJJFYMU-VIFPVBQESA-N 1 0 378.230 1.151 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000415445713 531486878 /nfs/dbraw/zinc/48/68/78/531486878.db2.gz OXYAFHQWBXMNJL-HQJQHLMTSA-N 1 0 376.201 1.862 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000415448571 531486963 /nfs/dbraw/zinc/48/69/63/531486963.db2.gz VCVQDDDITLPVTC-ZDUSSCGKSA-N 1 0 384.933 1.931 20 0 GDADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363496029 531488145 /nfs/dbraw/zinc/48/81/45/531488145.db2.gz MPHXIVVNICRKLJ-LLVKDONJSA-N 1 0 386.294 1.905 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415468301 531489123 /nfs/dbraw/zinc/48/91/23/531489123.db2.gz WCHUONXNWHYFJG-GFCCVEGCSA-N 1 0 384.267 2.217 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])c(I)c1 ZINC000415471993 531489842 /nfs/dbraw/zinc/48/98/42/531489842.db2.gz TVEJQOULUMPWFH-UHFFFAOYSA-N 1 0 391.209 1.092 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(Cc2nccn2C)C1=O ZINC000545302678 531490376 /nfs/dbraw/zinc/49/03/76/531490376.db2.gz GFMNMSRLGISZIW-JSGCOSHPSA-N 1 0 395.305 1.548 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)cc1Br ZINC000415502985 531491215 /nfs/dbraw/zinc/49/12/15/531491215.db2.gz VWVDSHLXGUPINC-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccnn1Cc1ccccc1Br ZINC000415522833 531491662 /nfs/dbraw/zinc/49/16/62/531491662.db2.gz ODTGLWLDFUYECK-CYBMUJFWSA-N 1 0 394.273 1.804 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415517897 531491792 /nfs/dbraw/zinc/49/17/92/531491792.db2.gz LSJKAQCOGXTWLW-ZETCQYMHSA-N 1 0 379.173 1.080 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000415549254 531493600 /nfs/dbraw/zinc/49/36/00/531493600.db2.gz JREOCNGYUWAYRX-UHFFFAOYSA-N 1 0 386.246 1.160 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCC(=O)NCC[NH+]2CCSCC2)cc1C ZINC000489011064 531492858 /nfs/dbraw/zinc/49/28/58/531492858.db2.gz DHSCYVWBAHMIHL-UHFFFAOYSA-N 1 0 385.555 1.137 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415662275 531510669 /nfs/dbraw/zinc/51/06/69/531510669.db2.gz RHCPDHUDCARTCN-GMSGAONNSA-N 1 0 376.201 1.780 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415662277 531510828 /nfs/dbraw/zinc/51/08/28/531510828.db2.gz RHCPDHUDCARTCN-OIBJUYFYSA-N 1 0 376.201 1.780 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000415677100 531512550 /nfs/dbraw/zinc/51/25/50/531512550.db2.gz UBIOKEVOUOFCHC-PHIMTYICSA-N 1 0 382.258 1.464 20 0 GDADRO C[C@H](C[S@](C)=O)N(C)c1cc(C2CC2)[nH+]c(N(C)[C@H](C)C[S@@](C)=O)n1 ZINC000557628533 531513002 /nfs/dbraw/zinc/51/30/02/531513002.db2.gz CYTSWNVKJSOWSX-NNXYFXBSSA-N 1 0 386.587 1.760 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415685952 531513744 /nfs/dbraw/zinc/51/37/44/531513744.db2.gz HFUHHCZLNALFSQ-MRXNPFEDSA-N 1 0 384.274 1.984 20 0 GDADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000581760985 531513833 /nfs/dbraw/zinc/51/38/33/531513833.db2.gz WQGAGPVVABLADA-NSHDSACASA-N 1 0 398.276 1.935 20 0 GDADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489911235 531514919 /nfs/dbraw/zinc/51/49/19/531514919.db2.gz YZTAWXKCRNFSBP-HNNXBMFYSA-N 1 0 385.339 1.931 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)NCc3cc(F)cc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000581809507 531515714 /nfs/dbraw/zinc/51/57/14/531515714.db2.gz LXYFIKJFKJBXMM-LSDHHAIUSA-N 1 0 396.264 1.958 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2cccc(Br)c2C)CCC[NH2+]1 ZINC000415706658 531516793 /nfs/dbraw/zinc/51/67/93/531516793.db2.gz LNZMFFJBJZXSEJ-INIZCTEOSA-N 1 0 384.274 1.581 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1Br ZINC000415705231 531516956 /nfs/dbraw/zinc/51/69/56/531516956.db2.gz IWOBKVIAWASLKE-CYBMUJFWSA-N 1 0 395.301 1.202 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2ccc(Br)c(F)c2)CCC[NH2+]1 ZINC000415708026 531517231 /nfs/dbraw/zinc/51/72/31/531517231.db2.gz NITYBMOLCIKWGQ-HNNXBMFYSA-N 1 0 388.237 1.412 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)CC[NH2+]CC1 ZINC000415707729 531517384 /nfs/dbraw/zinc/51/73/84/531517384.db2.gz NYMYCHUCANKAGE-UHFFFAOYSA-N 1 0 375.803 1.689 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)CCC1 ZINC000415552482 531493936 /nfs/dbraw/zinc/49/39/36/531493936.db2.gz ANXNPNPVKHDERP-UHFFFAOYSA-N 1 0 392.257 1.571 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415550409 531493970 /nfs/dbraw/zinc/49/39/70/531493970.db2.gz VUBDXGGKBWIALW-UHFFFAOYSA-N 1 0 398.179 1.964 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)C1 ZINC000415560500 531495500 /nfs/dbraw/zinc/49/55/00/531495500.db2.gz FWKSOSWZRBJJLE-RYUDHWBXSA-N 1 0 397.317 1.645 20 0 GDADRO CC(C)(C)NC(=O)CNC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000556517611 531496565 /nfs/dbraw/zinc/49/65/65/531496565.db2.gz DBUWUQZRAHEVAT-MRXNPFEDSA-N 1 0 397.317 1.916 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415578229 531496662 /nfs/dbraw/zinc/49/66/62/531496662.db2.gz ZTWLVVCZGZYHIV-VHSXEESVSA-N 1 0 392.257 1.540 20 0 GDADRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000268355308 531496960 /nfs/dbraw/zinc/49/69/60/531496960.db2.gz VPJDYCNAIXGVCV-GFCCVEGCSA-N 1 0 389.543 1.745 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c1OC ZINC000490054456 531518806 /nfs/dbraw/zinc/51/88/06/531518806.db2.gz OPYKGLLDIFOSLQ-JTQLQIEISA-N 1 0 378.878 1.611 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1Br ZINC000415571306 531497336 /nfs/dbraw/zinc/49/73/36/531497336.db2.gz ZRYYVUXFFRYSQT-UHFFFAOYSA-N 1 0 386.246 1.402 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415571862 531497628 /nfs/dbraw/zinc/49/76/28/531497628.db2.gz RUHHWUHWHCRRCR-UHFFFAOYSA-N 1 0 379.173 1.224 20 0 GDADRO Cc1cc(Br)oc1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000363649855 531498977 /nfs/dbraw/zinc/49/89/77/531498977.db2.gz ATFVAZCKSXSXIE-GFCCVEGCSA-N 1 0 384.274 1.905 20 0 GDADRO CSC1(CNC(=O)Nc2nnc(C3CCOCC3)s2)CC[NH+](C)CC1 ZINC000556658132 531500332 /nfs/dbraw/zinc/50/03/32/531500332.db2.gz LPSZVVLIFYGPCX-UHFFFAOYSA-N 1 0 385.559 2.381 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000581593793 531501215 /nfs/dbraw/zinc/50/12/15/531501215.db2.gz GZAKOGYVWNAKQB-UHFFFAOYSA-N 1 0 376.320 1.879 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415599209 531501586 /nfs/dbraw/zinc/50/15/86/531501586.db2.gz WIHDNRCRPIPIQI-QGZVFWFLSA-N 1 0 396.285 1.998 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CCO1 ZINC000415600737 531501600 /nfs/dbraw/zinc/50/16/00/531501600.db2.gz OLUBAFHOAZSFRG-SECBINFHSA-N 1 0 393.843 1.822 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415610693 531503214 /nfs/dbraw/zinc/50/32/14/531503214.db2.gz INNRRXXWPKKUSV-WRWORJQWSA-N 1 0 376.201 1.780 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000280510553 531506177 /nfs/dbraw/zinc/50/61/77/531506177.db2.gz LVZPXCBGPUZGOQ-LBPRGKRZSA-N 1 0 394.317 1.771 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N(C)C[C@H](O)C[NH3+] ZINC000415632974 531507017 /nfs/dbraw/zinc/50/70/17/531507017.db2.gz YSIHFIPQRDBQHF-SSDOTTSWSA-N 1 0 378.198 1.158 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000658409393 531507011 /nfs/dbraw/zinc/50/70/11/531507011.db2.gz BRTQUAUWNLIDMO-VIFPVBQESA-N 1 0 391.280 1.426 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C(F)F ZINC000581667462 531507520 /nfs/dbraw/zinc/50/75/20/531507520.db2.gz AMMVOYJETSSSGJ-GFCCVEGCSA-N 1 0 395.497 1.564 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(C)c(I)cn1 ZINC000415649950 531508577 /nfs/dbraw/zinc/50/85/77/531508577.db2.gz APWILNGKYOKMIL-SECBINFHSA-N 1 0 390.225 1.047 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000415657387 531509034 /nfs/dbraw/zinc/50/90/34/531509034.db2.gz UQGFTNZEJAGFEX-NXEZZACHSA-N 1 0 392.257 1.717 20 0 GDADRO CNC(=O)CCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280539728 531509003 /nfs/dbraw/zinc/50/90/03/531509003.db2.gz HWZHTWYMDBZXFC-VIFPVBQESA-N 1 0 378.292 1.273 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415660347 531510416 /nfs/dbraw/zinc/51/04/16/531510416.db2.gz SZWWHVJKLFFWSR-JTQLQIEISA-N 1 0 380.246 1.096 20 0 GDADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000582058251 531532448 /nfs/dbraw/zinc/53/24/48/531532448.db2.gz UQEGXAIXXXVPNN-UHFFFAOYSA-N 1 0 388.555 1.643 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000415743596 531523099 /nfs/dbraw/zinc/52/30/99/531523099.db2.gz KJWPLVKDSJGKTI-MNOVXSKESA-N 1 0 382.258 1.464 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415752843 531525871 /nfs/dbraw/zinc/52/58/71/531525871.db2.gz XSUQLMKVPWCBKV-HZMBPMFUSA-N 1 0 383.290 1.397 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415772970 531527508 /nfs/dbraw/zinc/52/75/08/531527508.db2.gz UTDBELGOZTYLEA-DGCLKSJQSA-N 1 0 396.285 1.997 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415780116 531528102 /nfs/dbraw/zinc/52/81/02/531528102.db2.gz CAATXJICCLVQBY-GFCCVEGCSA-N 1 0 383.290 1.841 20 0 GDADRO CO[C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)[C@@H](C[NH3+])C1 ZINC000415786033 531530049 /nfs/dbraw/zinc/53/00/49/531530049.db2.gz HXYUFRIRMBYHFG-GHMZBOCLSA-N 1 0 386.294 1.880 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000415799495 531532768 /nfs/dbraw/zinc/53/27/68/531532768.db2.gz CFRBYECHEWTFCY-UHFFFAOYSA-N 1 0 388.237 1.874 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000415792932 531531475 /nfs/dbraw/zinc/53/14/75/531531475.db2.gz UECFDYCOVUBMCI-GHMZBOCLSA-N 1 0 399.289 1.076 20 0 GDADRO CSc1nsc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000268561522 531537122 /nfs/dbraw/zinc/53/71/22/531537122.db2.gz DRPBAAUDNRCALA-UHFFFAOYSA-N 1 0 379.515 1.729 20 0 GDADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415822905 531537420 /nfs/dbraw/zinc/53/74/20/531537420.db2.gz RCZUXVJGRSFMAS-ZJUUUORDSA-N 1 0 376.404 1.949 20 0 GDADRO COc1cc(NC(=O)C(=O)NCC2C[NH2+]C2)c(Cl)cc1Br ZINC000659082579 531537962 /nfs/dbraw/zinc/53/79/62/531537962.db2.gz YVKFKCDFHXWRTM-UHFFFAOYSA-N 1 0 376.638 1.385 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c2cc(Br)ccc21 ZINC000659081295 531538105 /nfs/dbraw/zinc/53/81/05/531538105.db2.gz FJVQCKSBPMEBGE-GFCCVEGCSA-N 1 0 396.285 1.259 20 0 GDADRO CN(C(=O)C(=O)Nc1ccc(F)c(Br)c1F)C1CC[NH2+]CC1 ZINC000659075614 531538294 /nfs/dbraw/zinc/53/82/94/531538294.db2.gz ZRRFDBITDYZMKW-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)[C@H](C)C[NH2+]1 ZINC000659083111 531538931 /nfs/dbraw/zinc/53/89/31/531538931.db2.gz VDAPQYNWEWLDGB-HTQZYQBOSA-N 1 0 376.201 1.875 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415830182 531539038 /nfs/dbraw/zinc/53/90/38/531539038.db2.gz HWTSZPKVRZUCAF-QWRGUYRKSA-N 1 0 384.274 1.948 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1Br ZINC000659090796 531539676 /nfs/dbraw/zinc/53/96/76/531539676.db2.gz UOWFGJONJVDKFH-UHFFFAOYSA-N 1 0 385.306 1.645 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])c(Cl)cc1Br ZINC000659088024 531540572 /nfs/dbraw/zinc/54/05/72/531540572.db2.gz YNKGRPSULANRGV-RNFRBKRXSA-N 1 0 378.654 1.902 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659083399 531540606 /nfs/dbraw/zinc/54/06/06/531540606.db2.gz XWUDAAIQJLBWOR-HTQZYQBOSA-N 1 0 376.201 1.862 20 0 GDADRO Cc1cc(S(=O)(=O)NCCN2CCC(O)CC2)ccc1Br ZINC000295211713 531540797 /nfs/dbraw/zinc/54/07/97/531540797.db2.gz AAFKGCVMMUDFAD-UHFFFAOYSA-N 1 0 377.304 1.493 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c(I)cnn2C)C1 ZINC000551577492 531541096 /nfs/dbraw/zinc/54/10/96/531541096.db2.gz MMJMBQMAWYWHIF-NSHDSACASA-N 1 0 390.269 1.732 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCCO1 ZINC000415842900 531542299 /nfs/dbraw/zinc/54/22/99/531542299.db2.gz AWFCGMHJSNJZMO-SNVBAGLBSA-N 1 0 379.766 1.874 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1Br ZINC000415846957 531542430 /nfs/dbraw/zinc/54/24/30/531542430.db2.gz WHJXDHUGZHONMU-SNVBAGLBSA-N 1 0 398.179 1.792 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000659111213 531542643 /nfs/dbraw/zinc/54/26/43/531542643.db2.gz HWFZVOSDQDZGBU-SNVBAGLBSA-N 1 0 380.246 1.297 20 0 GDADRO Cn1c2ccc(C[NH2+]C[C@H]3CCCC[C@H]3NS(C)(=O)=O)cc2sc1=O ZINC000552190153 531553375 /nfs/dbraw/zinc/55/33/75/531553375.db2.gz ZJTTYSDWMZJKDY-ZIAGYGMSSA-N 1 0 383.539 1.798 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000415854252 531543561 /nfs/dbraw/zinc/54/35/61/531543561.db2.gz VVGPBHYRHQZVEU-WDEREUQCSA-N 1 0 387.889 1.125 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c1F ZINC000415861502 531544111 /nfs/dbraw/zinc/54/41/11/531544111.db2.gz PAQTYZFFLDPEOX-JTQLQIEISA-N 1 0 388.237 1.411 20 0 GDADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415859592 531545139 /nfs/dbraw/zinc/54/51/39/531545139.db2.gz BIGLYFXWTHLTCQ-MRVPVSSYSA-N 1 0 376.201 1.924 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415855897 531545355 /nfs/dbraw/zinc/54/53/55/531545355.db2.gz PLBMRFPRUJXJDI-CYBMUJFWSA-N 1 0 383.290 1.024 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000558084150 531546157 /nfs/dbraw/zinc/54/61/57/531546157.db2.gz STFOLOQSIDJNQV-LLVKDONJSA-N 1 0 389.905 1.927 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415863589 531546615 /nfs/dbraw/zinc/54/66/15/531546615.db2.gz LOVYKWOOCFSIHT-MRVPVSSYSA-N 1 0 394.628 1.285 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)n1 ZINC000659461977 531547256 /nfs/dbraw/zinc/54/72/56/531547256.db2.gz QGPAQEQTEBDEDU-JTQLQIEISA-N 1 0 384.223 1.881 20 0 GDADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000364257682 531548299 /nfs/dbraw/zinc/54/82/99/531548299.db2.gz CFHJKTNNXVMNKD-INIZCTEOSA-N 1 0 377.286 1.937 20 0 GDADRO O=S(=O)(NCCN1CCC(O)CC1)c1cc(Br)ccc1F ZINC000295248514 531548434 /nfs/dbraw/zinc/54/84/34/531548434.db2.gz FMWGFKXTIZSHCQ-UHFFFAOYSA-N 1 0 381.267 1.323 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000659480690 531548507 /nfs/dbraw/zinc/54/85/07/531548507.db2.gz BOOGPJKCIKNSCS-SMDDNHRTSA-N 1 0 383.290 1.770 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415872202 531548683 /nfs/dbraw/zinc/54/86/83/531548683.db2.gz RVGABRLICIKIGO-VIFPVBQESA-N 1 0 388.251 1.977 20 0 GDADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415885599 531549477 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COc1ccc(CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1Br ZINC000552191033 531552961 /nfs/dbraw/zinc/55/29/61/531552961.db2.gz PRGVBVLELFILBD-LLVKDONJSA-N 1 0 386.290 1.530 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1Br ZINC000659691132 531553004 /nfs/dbraw/zinc/55/30/04/531553004.db2.gz SLBFHYWJBLKNOT-UHFFFAOYSA-N 1 0 394.313 1.711 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)cc1Br ZINC000415798770 531533128 /nfs/dbraw/zinc/53/31/28/531533128.db2.gz CRYXQZNPDUQVPP-RKDXNWHRSA-N 1 0 386.246 1.335 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Br ZINC000415797775 531533459 /nfs/dbraw/zinc/53/34/59/531533459.db2.gz WPSCUGCOLQKCDK-SMDDNHRTSA-N 1 0 396.285 1.997 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000659012347 531536359 /nfs/dbraw/zinc/53/63/59/531536359.db2.gz IYRVYDOJKQXASD-UHFFFAOYSA-N 1 0 396.289 1.636 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000490524330 531536436 /nfs/dbraw/zinc/53/64/36/531536436.db2.gz OTCSOEYAPOUNMI-AWEZNQCLSA-N 1 0 397.310 1.883 20 0 GDADRO [NH3+]CC[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl)C(F)(F)F ZINC000416034391 531554986 /nfs/dbraw/zinc/55/49/86/531554986.db2.gz TYOHIUURTQSWGQ-RYUDHWBXSA-N 1 0 378.782 1.802 20 0 GDADRO COc1ccc(CC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1S(N)(=O)=O ZINC000558273346 531555170 /nfs/dbraw/zinc/55/51/70/531555170.db2.gz ORNLPMCGJYRJCB-BXUZGUMPSA-N 1 0 382.404 1.585 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)C2 ZINC000659723695 531556949 /nfs/dbraw/zinc/55/69/49/531556949.db2.gz KHEHDGSVBKNYPD-WCQYABFASA-N 1 0 380.286 1.843 20 0 GDADRO CNS(=O)(=O)NC1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000281011481 531567767 /nfs/dbraw/zinc/56/77/67/531567767.db2.gz NNXVXWDGMDMVNA-UHFFFAOYSA-N 1 0 381.420 1.646 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)C2 ZINC000659711600 531557383 /nfs/dbraw/zinc/55/73/83/531557383.db2.gz BAQLVHXKRDBLCD-LBPRGKRZSA-N 1 0 380.286 1.716 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000659740977 531558916 /nfs/dbraw/zinc/55/89/16/531558916.db2.gz IBLJZXLMGMITSY-UKRRQHHQSA-N 1 0 397.317 1.997 20 0 GDADRO CN(C(=O)c1csc(S(N)(=O)=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268709966 531559284 /nfs/dbraw/zinc/55/92/84/531559284.db2.gz LWMLFBHTRQAYFH-HNNXBMFYSA-N 1 0 379.507 1.742 20 0 GDADRO CS(=O)(=O)CCS(=O)(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000364381309 531559686 /nfs/dbraw/zinc/55/96/86/531559686.db2.gz FRDCVMASGWWKMW-IAGOWNOFSA-N 1 0 388.555 1.033 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)ccc1S(=O)(=O)C(F)F ZINC000280949194 531560761 /nfs/dbraw/zinc/56/07/61/531560761.db2.gz JOHNACYDXLHZSS-SNVBAGLBSA-N 1 0 397.465 1.919 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccsc1 ZINC000636554115 531562204 /nfs/dbraw/zinc/56/22/04/531562204.db2.gz NBHBIZRTMBXVOF-KFWWJZLASA-N 1 0 388.559 1.510 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000553534066 531563176 /nfs/dbraw/zinc/56/31/76/531563176.db2.gz IQLVQWXCDAWCPI-CQSZACIVSA-N 1 0 388.559 1.541 20 0 GDADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCC2(CC[NH2+]C2)CC1 ZINC000583083123 531563813 /nfs/dbraw/zinc/56/38/13/531563813.db2.gz HCPQSFDUFKSINX-UHFFFAOYSA-N 1 0 394.269 1.996 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC000295392014 531572029 /nfs/dbraw/zinc/57/20/29/531572029.db2.gz QZRSMQLXMSXWCT-LBPRGKRZSA-N 1 0 398.301 1.108 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000583389269 531573970 /nfs/dbraw/zinc/57/39/70/531573970.db2.gz HBKLQZUYRMVSGO-ZDUSSCGKSA-N 1 0 389.905 1.170 20 0 GDADRO CCC[C@H](CC)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000583376638 531574097 /nfs/dbraw/zinc/57/40/97/531574097.db2.gz XUZABSRKPHYHOL-AWEZNQCLSA-N 1 0 376.544 1.879 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)C1COC1 ZINC000493473392 531576289 /nfs/dbraw/zinc/57/62/89/531576289.db2.gz OMEOKSFNPZREHD-UHFFFAOYSA-N 1 0 377.304 1.541 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000583440945 531576796 /nfs/dbraw/zinc/57/67/96/531576796.db2.gz FXECUKNTVDXOKU-LBPRGKRZSA-N 1 0 379.881 1.159 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000583440282 531576967 /nfs/dbraw/zinc/57/69/67/531576967.db2.gz WQYDTXOCCRUNPG-UHFFFAOYSA-N 1 0 379.258 1.561 20 0 GDADRO CC1(C)CC[N@H+](CC(=O)N(CC(F)F)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000583573958 531585434 /nfs/dbraw/zinc/58/54/34/531585434.db2.gz KJDMRXFTIADGNG-UHFFFAOYSA-N 1 0 381.489 1.236 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 ZINC000416374231 531585461 /nfs/dbraw/zinc/58/54/61/531585461.db2.gz PNLVBZSTPONSEU-GASCZTMLSA-N 1 0 382.592 1.487 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000583639291 531586747 /nfs/dbraw/zinc/58/67/47/531586747.db2.gz CAXUTFDAIKJFCG-ARFHVFGLSA-N 1 0 389.587 1.038 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](O)COc1ccccc1Br ZINC000268910012 531586860 /nfs/dbraw/zinc/58/68/60/531586860.db2.gz MMCVTSFWQALCQW-OLZOCXBDSA-N 1 0 386.290 1.582 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000614065716 531586992 /nfs/dbraw/zinc/58/69/92/531586992.db2.gz SZHGZZXVGBZRTG-QGZVFWFLSA-N 1 0 393.285 1.921 20 0 GDADRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)CN1CCOCC1 ZINC000494106186 531588096 /nfs/dbraw/zinc/58/80/96/531588096.db2.gz JVZJABRPUWIQGL-CQSZACIVSA-N 1 0 393.347 1.652 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000583694832 531589450 /nfs/dbraw/zinc/58/94/50/531589450.db2.gz POSLTNQEHDPLRP-SFYZADRCSA-N 1 0 387.811 1.489 20 0 GDADRO CC(C)N1C(=O)C[C@H]([NH2+]CCNS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494211471 531590627 /nfs/dbraw/zinc/59/06/27/531590627.db2.gz GPNKOFHQTZGMCS-GOEBONIOSA-N 1 0 391.896 1.668 20 0 GDADRO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281186189 531590832 /nfs/dbraw/zinc/59/08/32/531590832.db2.gz RSRLJIBDIOYICN-GXSJLCMTSA-N 1 0 381.292 1.145 20 0 GDADRO CN(Cc1cc(=O)n(C)c(=O)n1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000364725828 531591728 /nfs/dbraw/zinc/59/17/28/531591728.db2.gz VNUSBRFCBARFRK-CQSZACIVSA-N 1 0 394.269 1.802 20 0 GDADRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000268978606 531595072 /nfs/dbraw/zinc/59/50/72/531595072.db2.gz OADHTESCLFYDBO-YOEHRIQHSA-N 1 0 386.539 1.226 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000583809900 531595409 /nfs/dbraw/zinc/59/54/09/531595409.db2.gz KHJSARRPVIYJHP-NSHDSACASA-N 1 0 384.271 1.574 20 0 GDADRO C[C@H]1CN(S(=O)(=O)C[C@H]2CCCC2(F)F)CCN1C1CC[NH+](C)CC1 ZINC000451356510 531596621 /nfs/dbraw/zinc/59/66/21/531596621.db2.gz AZWPDCWRAKJJPS-LSDHHAIUSA-N 1 0 379.517 1.852 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000583868926 531601187 /nfs/dbraw/zinc/60/11/87/531601187.db2.gz QNJCSZARARWGFD-LLVKDONJSA-N 1 0 396.245 1.131 20 0 GDADRO Cn1cc(C[N@H+](C)[C@H]2CCOc3ccc(Br)cc32)c(=O)n(C)c1=O ZINC000364837990 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GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000281979661 531686977 /nfs/dbraw/zinc/68/69/77/531686977.db2.gz PWTQWGNPOFMNPM-LKFCYVNXSA-N 1 0 382.877 1.281 20 0 GDADRO C[C@]12C[N@H+](Cc3cc4c(c(Br)c3)OCO4)C[C@@]1(C)C(=O)NC2=O ZINC000639363041 531689371 /nfs/dbraw/zinc/68/93/71/531689371.db2.gz WDVYAXGJPOOSKX-IYBDPMFKSA-N 1 0 381.226 1.662 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000662552297 531688144 /nfs/dbraw/zinc/68/81/44/531688144.db2.gz RRJJOVRNTHIOLJ-NSHDSACASA-N 1 0 381.274 1.374 20 0 GDADRO NS(=O)(=O)CC1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639551705 531694470 /nfs/dbraw/zinc/69/44/70/531694470.db2.gz QYGJFSASAGXIIA-CQSZACIVSA-N 1 0 397.324 1.734 20 0 GDADRO CSc1ccc([C@@H](C)[NH2+]CC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000639623481 531695946 /nfs/dbraw/zinc/69/59/46/531695946.db2.gz QQGMFJRLFYUQGI-CYBMUJFWSA-N 1 0 385.555 1.599 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C[NH3+])C2=O)ccc1Br ZINC000662802110 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383.242 1.648 20 0 GDADRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)sc1S(N)(=O)=O ZINC000618664369 531690965 /nfs/dbraw/zinc/69/09/65/531690965.db2.gz RWATWPHZDDRZTA-NSHDSACASA-N 1 0 387.527 1.541 20 0 GDADRO C[C@@H](C(=O)NCC1([NH3+])CCCC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000662650290 531691396 /nfs/dbraw/zinc/69/13/96/531691396.db2.gz YPTIYZFDPOQKNH-JTQLQIEISA-N 1 0 394.269 1.821 20 0 GDADRO CCNS(=O)(=O)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662655627 531691455 /nfs/dbraw/zinc/69/14/55/531691455.db2.gz HSMDWHSSFDPXEL-CQSZACIVSA-N 1 0 379.404 1.143 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cc2ccccc2Br)C1 ZINC000591185017 531711495 /nfs/dbraw/zinc/71/14/95/531711495.db2.gz PAKGFQFYFMUJGZ-CQSZACIVSA-N 1 0 382.302 1.695 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000662955194 531701418 /nfs/dbraw/zinc/70/14/18/531701418.db2.gz YIOMOAIVHPMKKR-NSHDSACASA-N 1 0 375.441 1.090 20 0 GDADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCc1nnnn1C ZINC000619428248 531704841 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C[C@@H](CCNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl)[NH+](C)C ZINC000664811225 531726538 /nfs/dbraw/zinc/72/65/38/531726538.db2.gz QPHWLAXAAXKDBS-ZDUSSCGKSA-N 1 0 390.937 1.648 20 0 GDADRO C[C@@H](CCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[NH+](C)C ZINC000664814201 531727046 /nfs/dbraw/zinc/72/70/46/531727046.db2.gz BQHWCPOSOXNQPA-NSHDSACASA-N 1 0 394.900 1.397 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)NCC2C[NH2+]C2)C1 ZINC000640255227 531730782 /nfs/dbraw/zinc/73/07/82/531730782.db2.gz HMRSGZCAVYBAIM-GFCCVEGCSA-N 1 0 396.289 1.424 20 0 GDADRO Cn1cc(Br)c(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000640309016 531735722 /nfs/dbraw/zinc/73/57/22/531735722.db2.gz VIBVLWHZGJIDSK-UHFFFAOYSA-N 1 0 378.274 2.362 20 0 GDADRO CS(=O)(=O)Nc1cccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000591692724 531736445 /nfs/dbraw/zinc/73/64/45/531736445.db2.gz XKISEJVHXBIGJY-UHFFFAOYSA-N 1 0 383.495 1.038 20 0 GDADRO NS(=O)(=O)c1sc(Cl)cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620935123 531737879 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O=C(NCCc1cc(Br)ccc1F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417291923 531764015 /nfs/dbraw/zinc/76/40/15/531764015.db2.gz BNJBCFLDYBTYFC-HNNXBMFYSA-N 1 0 399.308 1.820 20 0 GDADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCCN2CCCS2(=O)=O)[C@H](C(F)(F)F)C1 ZINC000366631287 531764621 /nfs/dbraw/zinc/76/46/21/531764621.db2.gz RHOCJNMCHAEBQR-VXGBXAGGSA-N 1 0 385.452 1.047 20 0 GDADRO C[N@H+](CCOCCO)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000282521095 531764855 /nfs/dbraw/zinc/76/48/55/531764855.db2.gz PMDDUKDTGZITAF-GFCCVEGCSA-N 1 0 382.682 1.783 20 0 GDADRO Cn1cc(Br)c(=O)c(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000666698505 531765455 /nfs/dbraw/zinc/76/54/55/531765455.db2.gz PCVBVMBWNMUTGX-LBPRGKRZSA-N 1 0 399.289 1.211 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000667398157 531780692 /nfs/dbraw/zinc/78/06/92/531780692.db2.gz NHUVTULILYUGJC-YGRLFVJLSA-N 1 0 384.274 1.525 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000667402450 531780875 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C[C@@H]1CN(C(=O)NCCCNC(=O)c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000417436842 531771060 /nfs/dbraw/zinc/77/10/60/531771060.db2.gz PRDLHOAIEXLLGP-DOMZBBRYSA-N 1 0 397.317 1.948 20 0 GDADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc(CC[C@@H](O)C[NH3+])nn1 ZINC000640881208 531771682 /nfs/dbraw/zinc/77/16/82/531771682.db2.gz BPHVIQYHSFIGGH-CYBMUJFWSA-N 1 0 386.283 1.496 20 0 GDADRO C[C@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000417444480 531773204 /nfs/dbraw/zinc/77/32/04/531773204.db2.gz YNZGHAHKFHQWLX-JSGCOSHPSA-N 1 0 397.317 1.866 20 0 GDADRO O=C(NCCNC(=O)c1cccc(Br)c1)NCC[C@H]1CC[NH2+]C1 ZINC000417441362 531773416 /nfs/dbraw/zinc/77/34/16/531773416.db2.gz UPVDILYWRABHLN-GFCCVEGCSA-N 1 0 383.290 1.478 20 0 GDADRO C[C@@H]1CN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000417482400 531776034 /nfs/dbraw/zinc/77/60/34/531776034.db2.gz IUKVQDZUMPTUDP-GFCCVEGCSA-N 1 0 383.290 1.572 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CCCO1 ZINC000417477054 531776578 /nfs/dbraw/zinc/77/65/78/531776578.db2.gz FWDYYBGZOPYQAN-HOCLYGCPSA-N 1 0 397.317 1.787 20 0 GDADRO C[C@@H]1[NH2+]CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)[C@H]1C ZINC000417481444 531776709 /nfs/dbraw/zinc/77/67/09/531776709.db2.gz HKNOGXKPYYQOEU-STQMWFEESA-N 1 0 397.317 1.961 20 0 GDADRO Cc1cc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c(C)cc1Br ZINC000269831752 531776837 /nfs/dbraw/zinc/77/68/37/531776837.db2.gz XMFVAPCVZHKESV-UHFFFAOYSA-N 1 0 391.331 1.801 20 0 GDADRO COCCCN(C(=O)CCn1cc(Br)cn1)C1CC[NH+](C)CC1 ZINC000641120009 531779938 /nfs/dbraw/zinc/77/99/38/531779938.db2.gz LYLQZHWBTGFLJS-UHFFFAOYSA-N 1 0 387.322 1.995 20 0 GDADRO Fc1cc(Br)cc(Cn2cc(CCN3CC[NH2+]CC3)nn2)c1F ZINC000641119117 531780007 /nfs/dbraw/zinc/78/00/07/531780007.db2.gz IKAWGAOAYSGDLW-UHFFFAOYSA-N 1 0 386.244 1.815 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000418088716 531800975 /nfs/dbraw/zinc/80/09/75/531800975.db2.gz AIELXQXPFACKPI-DZGCQCFKSA-N 1 0 383.290 1.397 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000417589585 531783824 /nfs/dbraw/zinc/78/38/24/531783824.db2.gz VOYMNCFZDKSXIU-NEPJUHHUSA-N 1 0 385.306 1.833 20 0 GDADRO CC(C)([NH3+])CNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000417783560 531784286 /nfs/dbraw/zinc/78/42/86/531784286.db2.gz HLXACERKRGOXBT-UHFFFAOYSA-N 1 0 388.559 1.502 20 0 GDADRO C[C@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)N1CC[NH+](C)CC1 ZINC000282687041 531785441 /nfs/dbraw/zinc/78/54/41/531785441.db2.gz KAKAICHVJZDHMR-LLVKDONJSA-N 1 0 380.290 1.691 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000641206282 531786303 /nfs/dbraw/zinc/78/63/03/531786303.db2.gz RIYHLIGDXDFUOD-ZYHUDNBSSA-N 1 0 375.256 1.541 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000269861112 531788232 /nfs/dbraw/zinc/78/82/32/531788232.db2.gz SBBLEQBJSGGNHN-CYBMUJFWSA-N 1 0 392.905 1.762 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NCCN1CC[NH2+]CC1 ZINC000417902553 531788701 /nfs/dbraw/zinc/78/87/01/531788701.db2.gz PVZVCAIHFSNNGK-GFCCVEGCSA-N 1 0 387.297 1.724 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000269865680 531790078 /nfs/dbraw/zinc/79/00/78/531790078.db2.gz SPRBNVAPHWENFU-UHFFFAOYSA-N 1 0 378.441 1.802 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)Nc1cccc(I)c1 ZINC000592486359 531791594 /nfs/dbraw/zinc/79/15/94/531791594.db2.gz AAYNFCDVYUMYOB-GWCFXTLKSA-N 1 0 391.228 1.862 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000366941472 531792227 /nfs/dbraw/zinc/79/22/27/531792227.db2.gz RNZSIZHSRFONPI-YGRLFVJLSA-N 1 0 375.288 1.830 20 0 GDADRO CCCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000417931187 531792426 /nfs/dbraw/zinc/79/24/26/531792426.db2.gz PMQBSCLHDQBQBY-NSHDSACASA-N 1 0 394.950 1.463 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623019514 531792687 /nfs/dbraw/zinc/79/26/87/531792687.db2.gz XHZIJAQNHFYSND-GFCCVEGCSA-N 1 0 393.289 1.839 20 0 GDADRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623019819 531793218 /nfs/dbraw/zinc/79/32/18/531793218.db2.gz JQEOOCKNPRREPR-NSHDSACASA-N 1 0 379.262 1.496 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000562994314 531793876 /nfs/dbraw/zinc/79/38/76/531793876.db2.gz XIBDOTLLVGBRFQ-GXFFZTMASA-N 1 0 398.294 1.741 20 0 GDADRO Cc1csc([C@H](C)CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000417996042 531794938 /nfs/dbraw/zinc/79/49/38/531794938.db2.gz BBOBXHPWQBQFBN-ZYHUDNBSSA-N 1 0 379.452 1.690 20 0 GDADRO O=C(c1nc(C2CC2)ncc1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000623063820 531797427 /nfs/dbraw/zinc/79/74/27/531797427.db2.gz MFDSYKDDUVXNHK-GFCCVEGCSA-N 1 0 380.290 1.236 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C[NH3+])C3CC3)nc12 ZINC000418019228 531797947 /nfs/dbraw/zinc/79/79/47/531797947.db2.gz KOSFFSDAWRDFLW-AWEZNQCLSA-N 1 0 380.290 1.984 20 0 GDADRO CCCCN(C(=O)CNS(=O)(=O)N(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000668224762 531798083 /nfs/dbraw/zinc/79/80/83/531798083.db2.gz XEZFASJXPCYEHK-UHFFFAOYSA-N 1 0 376.567 1.320 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000418075695 531799837 /nfs/dbraw/zinc/79/98/37/531799837.db2.gz PXOWAJCKDOKCAO-LBPRGKRZSA-N 1 0 381.832 1.540 20 0 GDADRO [NH3+]CCN(CCO)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418078470 531799904 /nfs/dbraw/zinc/79/99/04/531799904.db2.gz JJAOKLPLOPQUDV-ZDUSSCGKSA-N 1 0 375.300 1.925 20 0 GDADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000367001504 531800264 /nfs/dbraw/zinc/80/02/64/531800264.db2.gz FUVWCIMMEUUCTR-XJKSGUPXSA-N 1 0 379.507 1.575 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CC[NH+](C)CC1 ZINC000668695049 531803200 /nfs/dbraw/zinc/80/32/00/531803200.db2.gz BUDQQUGDBZDRFJ-JTQLQIEISA-N 1 0 396.289 1.397 20 0 GDADRO [NH3+]C1CCC(OCC(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000563064916 531803484 /nfs/dbraw/zinc/80/34/84/531803484.db2.gz NKAHZGKMPZCGFQ-UHFFFAOYSA-N 1 0 398.301 1.582 20 0 GDADRO CSc1ccc([C@@H](CNC(=O)NCCS(=O)(=O)N(C)C)[NH+](C)C)cc1 ZINC000297581252 531803822 /nfs/dbraw/zinc/80/38/22/531803822.db2.gz CLXXHWAZESGCMT-OAHLLOKOSA-N 1 0 388.559 1.202 20 0 GDADRO [NH3+]CC[C@H](NC(=O)NCc1cc(Cl)ccc1N1CCOCC1)C(F)F ZINC000418138513 531805247 /nfs/dbraw/zinc/80/52/47/531805247.db2.gz GHVMDFIYCDLBOL-ZDUSSCGKSA-N 1 0 376.835 1.958 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC[NH2+]1 ZINC000418153763 531806770 /nfs/dbraw/zinc/80/67/70/531806770.db2.gz JBOKXBFAHCQDQJ-ZYHUDNBSSA-N 1 0 392.884 1.197 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC[NH+](C)CC2)c1 ZINC000282880107 531807177 /nfs/dbraw/zinc/80/71/77/531807177.db2.gz COZMCHFLFRYQHQ-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO CS(=O)(=O)c1cc(CNC(=O)NC[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000418157443 531808103 /nfs/dbraw/zinc/80/81/03/531808103.db2.gz BQXHKOTWSABIMP-LBPRGKRZSA-N 1 0 379.404 1.660 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NCCC[NH2+]C(C)C)c1 ZINC000563118718 531808612 /nfs/dbraw/zinc/80/86/12/531808612.db2.gz WWHKQJYJCIDURF-UHFFFAOYSA-N 1 0 393.303 1.902 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418157755 531808792 /nfs/dbraw/zinc/80/87/92/531808792.db2.gz ABUUWEIFUCYWJO-IUCAKERBSA-N 1 0 383.301 1.307 20 0 GDADRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@H](C)[NH3+] ZINC000418157753 531809071 /nfs/dbraw/zinc/80/90/71/531809071.db2.gz ABUUWEIFUCYWJO-DTWKUNHWSA-N 1 0 383.301 1.307 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418159869 531809275 /nfs/dbraw/zinc/80/92/75/531809275.db2.gz RMKPLAIVZCJEAY-GHMZBOCLSA-N 1 0 392.884 1.136 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)NCCOc1ccc(I)cc1 ZINC000418165192 531810585 /nfs/dbraw/zinc/81/05/85/531810585.db2.gz YAILXKOLGMGZHZ-JTQLQIEISA-N 1 0 377.226 1.707 20 0 GDADRO CC[C@H]([NH3+])CNS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000563129119 531811279 /nfs/dbraw/zinc/81/12/79/531811279.db2.gz ANDKKIMONKGBDZ-YFKPBYRVSA-N 1 0 398.666 1.965 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000515824636 531812561 /nfs/dbraw/zinc/81/25/61/531812561.db2.gz FFLORXRAXXYTOO-OAHLLOKOSA-N 1 0 385.917 1.520 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000453365530 531813088 /nfs/dbraw/zinc/81/30/88/531813088.db2.gz MATLKAVFHLBQSN-OLZOCXBDSA-N 1 0 394.306 1.906 20 0 GDADRO O=C(NCC1C[NH2+]C1)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000669528721 531813654 /nfs/dbraw/zinc/81/36/54/531813654.db2.gz HRXOFBZGFMKYAS-LLVKDONJSA-N 1 0 377.798 1.851 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000623409078 531813610 /nfs/dbraw/zinc/81/36/10/531813610.db2.gz PGALIBGDPWATAN-UKRRQHHQSA-N 1 0 388.559 1.322 20 0 GDADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000563153254 531813828 /nfs/dbraw/zinc/81/38/28/531813828.db2.gz CDVVXGYUTHRHMN-ABAIWWIYSA-N 1 0 388.295 1.994 20 0 GDADRO CS(=O)(=O)c1cc(CNC(=O)N2CCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000418177911 531814290 /nfs/dbraw/zinc/81/42/90/531814290.db2.gz XYJAOJYSSFFUON-UHFFFAOYSA-N 1 0 379.404 1.614 20 0 GDADRO Fc1cc(Br)cnc1C[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000623420944 531814815 /nfs/dbraw/zinc/81/48/15/531814815.db2.gz TUAADJBWSPOZOC-AWEZNQCLSA-N 1 0 387.297 1.479 20 0 GDADRO CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000418190568 531814852 /nfs/dbraw/zinc/81/48/52/531814852.db2.gz WPJJWWJERUDAFI-SMDDNHRTSA-N 1 0 375.441 1.838 20 0 GDADRO O=C(NCCc1ccc(Br)cc1Cl)NC[C@H]1C[NH2+]CCO1 ZINC000418229280 531815839 /nfs/dbraw/zinc/81/58/39/531815839.db2.gz GRHNZTZVIFLFFB-GFCCVEGCSA-N 1 0 376.682 1.933 20 0 GDADRO Cc1c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc(Br)cc1S(N)(=O)=O ZINC000563170057 531816714 /nfs/dbraw/zinc/81/67/14/531816714.db2.gz NYPVNQBFROOFFL-HTQZYQBOSA-N 1 0 378.292 1.261 20 0 GDADRO CC(C)C[C@H](NS(=O)(=O)C[C@H]1C(C)(C)C1(F)F)C(=O)NCC[NH+](C)C ZINC000641398937 531817329 /nfs/dbraw/zinc/81/73/29/531817329.db2.gz LJOGCZWRSCPOEM-STQMWFEESA-N 1 0 383.505 1.290 20 0 GDADRO Cn1cc(I)c(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)n1 ZINC000418249111 531817738 /nfs/dbraw/zinc/81/77/38/531817738.db2.gz FZRPABNTLPGZKY-CYBMUJFWSA-N 1 0 391.257 1.214 20 0 GDADRO COC[C@@]1(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CCC[NH2+]1 ZINC000418276275 531817935 /nfs/dbraw/zinc/81/79/35/531817935.db2.gz ZZXBRUNVMDAJGH-INIZCTEOSA-N 1 0 396.289 1.893 20 0 GDADRO O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)NC[C@H]1CCC[NH2+]1 ZINC000418363926 531823036 /nfs/dbraw/zinc/82/30/36/531823036.db2.gz ITQMLPWKRGSSKN-QWHCGFSZSA-N 1 0 388.281 1.790 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418380959 531823248 /nfs/dbraw/zinc/82/32/48/531823248.db2.gz KMWZLZQZYBHWOI-ZFWWWQNUSA-N 1 0 384.318 1.960 20 0 GDADRO C[C@H](C[NH3+])NC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000418525801 531829923 /nfs/dbraw/zinc/82/99/23/531829923.db2.gz OWAFELTWHOHPDH-GFCCVEGCSA-N 1 0 398.305 1.062 20 0 GDADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)NCC(C)(C)[NH3+] ZINC000418426842 531824524 /nfs/dbraw/zinc/82/45/24/531824524.db2.gz KKZVGQLLXWYWNA-UHFFFAOYSA-N 1 0 381.278 1.909 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418410375 531825316 /nfs/dbraw/zinc/82/53/16/531825316.db2.gz WACDVVAIEQKTOD-LRDDRELGSA-N 1 0 384.318 1.945 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000297833707 531825644 /nfs/dbraw/zinc/82/56/44/531825644.db2.gz LPLBITFJFTUYHQ-MRXNPFEDSA-N 1 0 392.297 1.880 20 0 GDADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670408962 531830060 /nfs/dbraw/zinc/83/00/60/531830060.db2.gz AWZBBIBMRJXNAI-HIFRSBDPSA-N 1 0 382.302 1.723 20 0 GDADRO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418443745 531826508 /nfs/dbraw/zinc/82/65/08/531826508.db2.gz NTKOHSLBCGGRNH-GDBMZVCRSA-N 1 0 376.567 1.451 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)COc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000623837204 531826908 /nfs/dbraw/zinc/82/69/08/531826908.db2.gz IRWGRLLCIGXMNC-CQSZACIVSA-N 1 0 383.495 1.193 20 0 GDADRO COCC[NH2+]CCNC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000418504835 531828355 /nfs/dbraw/zinc/82/83/55/531828355.db2.gz CNUOKGVBJJAPHX-LSDHHAIUSA-N 1 0 376.284 1.829 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418516753 531828366 /nfs/dbraw/zinc/82/83/66/531828366.db2.gz CSHDVLLJXSFASM-CMPLNLGQSA-N 1 0 376.270 1.776 20 0 GDADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418501977 531828652 /nfs/dbraw/zinc/82/86/52/531828652.db2.gz SSQPNKBIBPPWOZ-HNNXBMFYSA-N 1 0 393.289 1.909 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418516755 531828682 /nfs/dbraw/zinc/82/86/82/531828682.db2.gz CSHDVLLJXSFASM-PWSUYJOCSA-N 1 0 376.270 1.776 20 0 GDADRO Cc1cc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000418281121 531819707 /nfs/dbraw/zinc/81/97/07/531819707.db2.gz NPMAWIDTWVLTQT-OAHLLOKOSA-N 1 0 381.318 1.947 20 0 GDADRO COCCCN(C(=O)NCC1([NH3+])CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000418281807 531820011 /nfs/dbraw/zinc/82/00/11/531820011.db2.gz FPSSODQSKVAYAC-HNNXBMFYSA-N 1 0 375.535 1.273 20 0 GDADRO O=C(NC[C@H](CO)Cc1cc(Br)ccc1F)NC1CC[NH2+]CC1 ZINC000418304932 531820147 /nfs/dbraw/zinc/82/01/47/531820147.db2.gz HGHRLUVEXDHVRA-LLVKDONJSA-N 1 0 388.281 1.790 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)NCc1cnc(N(C)C)n1C ZINC000623726427 531820898 /nfs/dbraw/zinc/82/08/98/531820898.db2.gz OPENIVKXSAHJQA-UHFFFAOYSA-N 1 0 397.277 1.652 20 0 GDADRO NS(=O)(=O)CCCCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000563239050 531821164 /nfs/dbraw/zinc/82/11/64/531821164.db2.gz GTFNWSJDDBKSMK-OAHLLOKOSA-N 1 0 387.571 1.925 20 0 GDADRO C[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000418322324 531821414 /nfs/dbraw/zinc/82/14/14/531821414.db2.gz DGOXSHJUWPLTDT-UHFFFAOYSA-N 1 0 395.312 1.229 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000669828577 531821780 /nfs/dbraw/zinc/82/17/80/531821780.db2.gz PLGCTHGNFMRKAN-QWHCGFSZSA-N 1 0 381.523 1.794 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NC[C@H](O)COc2ccccc2Br)CC[NH2+]1 ZINC000418630984 531832700 /nfs/dbraw/zinc/83/27/00/531832700.db2.gz XNHVOKBZMIXDMN-UPJWGTAASA-N 1 0 386.290 1.629 20 0 GDADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000297904177 531833166 /nfs/dbraw/zinc/83/31/66/531833166.db2.gz QKDLHZWNYMTYGF-UHFFFAOYSA-N 1 0 380.436 1.919 20 0 GDADRO CN1CCOC[C@H]1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000624174931 531833818 /nfs/dbraw/zinc/83/38/18/531833818.db2.gz GWMGEIAVODEBFN-OCCSQVGLSA-N 1 0 389.315 1.588 20 0 GDADRO C[C@@H](NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)[C@H](C)[NH3+] ZINC000418709130 531833905 /nfs/dbraw/zinc/83/39/05/531833905.db2.gz UTWNHYIMPVIQJR-QJPTWQEYSA-N 1 0 398.305 1.940 20 0 GDADRO Cc1ccc(C[C@@H](CO)CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Br ZINC000418679095 531834484 /nfs/dbraw/zinc/83/44/84/531834484.db2.gz WKNCBSXHADIBTR-NYTXWWLZSA-N 1 0 382.302 1.426 20 0 GDADRO Nc1nc(NC2(Cc3ccc(F)cc3Br)CCOCC2)nc(N)[nH+]1 ZINC000624243883 531835153 /nfs/dbraw/zinc/83/51/53/531835153.db2.gz CDGXELQOZIFBGK-UHFFFAOYSA-N 1 0 397.252 1.802 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000418758182 531837799 /nfs/dbraw/zinc/83/77/99/531837799.db2.gz IJOOKXPKXBUMSJ-AWEZNQCLSA-N 1 0 389.327 1.791 20 0 GDADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418755041 531838100 /nfs/dbraw/zinc/83/81/00/531838100.db2.gz BKOKNJMVVCVGKX-GFCCVEGCSA-N 1 0 392.319 1.657 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000418784606 531838758 /nfs/dbraw/zinc/83/87/58/531838758.db2.gz PQMDAKLBDMIPQM-GHMZBOCLSA-N 1 0 384.274 1.283 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1F ZINC000624364742 531839505 /nfs/dbraw/zinc/83/95/05/531839505.db2.gz ZHPGCSBUUPNWJC-LLVKDONJSA-N 1 0 387.374 1.388 20 0 GDADRO [NH3+]CCCCNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000418535148 531830376 /nfs/dbraw/zinc/83/03/76/531830376.db2.gz YLBOCZKIGJRDBU-NSHDSACASA-N 1 0 376.270 1.777 20 0 GDADRO COc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc(OC)c1Br ZINC000670409743 531831022 /nfs/dbraw/zinc/83/10/22/531831022.db2.gz TVBBCMPBOPZYNQ-ZDUSSCGKSA-N 1 0 398.301 1.586 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000367372238 531832129 /nfs/dbraw/zinc/83/21/29/531832129.db2.gz QDXFAWJNPOZFGC-UHFFFAOYSA-N 1 0 380.286 1.781 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418830744 531848941 /nfs/dbraw/zinc/84/89/41/531848941.db2.gz JXOZLKBMDUYYAZ-KAOXEZKKSA-N 1 0 380.286 1.535 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418830342 531849354 /nfs/dbraw/zinc/84/93/54/531849354.db2.gz OGBITCCAEQKQEW-GXTWGEPZSA-N 1 0 382.302 1.865 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418839542 531850707 /nfs/dbraw/zinc/85/07/07/531850707.db2.gz CPTXQSMHVASKNP-UHFFFAOYSA-N 1 0 395.301 1.705 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418836556 531850990 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O=C(NCCC[NH2+]C1CC1)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418851758 531854365 /nfs/dbraw/zinc/85/43/65/531854365.db2.gz SSPQTABOHHRKCA-UHFFFAOYSA-N 1 0 386.265 1.505 20 0 GDADRO O=C(CNC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000563591408 531854820 /nfs/dbraw/zinc/85/48/20/531854820.db2.gz LUZAVAXRAXKBCF-JOCQHMNTSA-N 1 0 385.295 1.970 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)NC/C=C/C[NH3+] ZINC000641861558 531854765 /nfs/dbraw/zinc/85/47/65/531854765.db2.gz BXILVWKQBZFGDA-QAVQXKDTSA-N 1 0 386.290 1.423 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)NC/C=C\C[NH3+])cc1Br ZINC000641862440 531854794 /nfs/dbraw/zinc/85/47/94/531854794.db2.gz OEDSZRJTFRBOGE-XQJDBVBESA-N 1 0 386.290 1.423 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418798864 531840678 /nfs/dbraw/zinc/84/06/78/531840678.db2.gz AIGNDRXUIBDNMJ-GMTAPVOTSA-N 1 0 386.315 1.741 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000418790323 531840812 /nfs/dbraw/zinc/84/08/12/531840812.db2.gz XMYRYWVCLLSGGA-CYBMUJFWSA-N 1 0 398.301 1.674 20 0 GDADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000624390589 531840931 /nfs/dbraw/zinc/84/09/31/531840931.db2.gz DUOOVSHNEHIWAZ-CABZTGNLSA-N 1 0 399.822 1.587 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc3nsnc32)CC[C@@H]1C(F)(F)F ZINC000624389924 531841086 /nfs/dbraw/zinc/84/10/86/531841086.db2.gz PMVUXBWAKDKHAH-BDAKNGLRSA-N 1 0 380.417 1.839 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)NCc1cc(Br)ccc1Br ZINC000418795356 531841384 /nfs/dbraw/zinc/84/13/84/531841384.db2.gz CMCBZFDOSPFGHU-UHFFFAOYSA-N 1 0 393.079 1.293 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC[NH2+]1 ZINC000418805770 531842306 /nfs/dbraw/zinc/84/23/06/531842306.db2.gz HMAPLLNUHZCEBE-NXEZZACHSA-N 1 0 386.315 1.693 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1F ZINC000624405047 531842284 /nfs/dbraw/zinc/84/22/84/531842284.db2.gz ARWDYWWPUCKPKZ-RYUDHWBXSA-N 1 0 393.506 1.396 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000624405175 531843315 /nfs/dbraw/zinc/84/33/15/531843315.db2.gz DZBURFYJLINHHM-UKRRQHHQSA-N 1 0 389.543 1.647 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C(=O)NC1CC[NH2+]CC1 ZINC000418813362 531844199 /nfs/dbraw/zinc/84/41/99/531844199.db2.gz SWMBWPGBSCABEJ-SMDDNHRTSA-N 1 0 384.249 1.429 20 0 GDADRO CO[C@H](C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(Cl)cc1 ZINC000283270319 531846043 /nfs/dbraw/zinc/84/60/43/531846043.db2.gz WOFKTPOXMWQBGO-YESZJQIVSA-N 1 0 388.917 1.115 20 0 GDADRO COC1(CS(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)CCOCC1 ZINC000593584389 531846779 /nfs/dbraw/zinc/84/67/79/531846779.db2.gz MZQDEJQVYYVXRZ-CABCVRRESA-N 1 0 378.560 1.023 20 0 GDADRO C[C@H]1SCCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@H]1C ZINC000671149769 531846911 /nfs/dbraw/zinc/84/69/11/531846911.db2.gz UMLDFRVTEXMPDR-LSDHHAIUSA-N 1 0 385.599 1.817 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418825426 531848329 /nfs/dbraw/zinc/84/83/29/531848329.db2.gz FFSXUCPOIWFMDG-XUWVNRHRSA-N 1 0 392.297 1.774 20 0 GDADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000367596111 531848413 /nfs/dbraw/zinc/84/84/13/531848413.db2.gz DGUGOHATPUMLPQ-FOSCPWQOSA-N 1 0 376.475 1.133 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595119874 531866395 /nfs/dbraw/zinc/86/63/95/531866395.db2.gz KYGNQYAMWFUELO-ZIAGYGMSSA-N 1 0 380.491 1.959 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCC2(c3cccc(Br)c3)CCC2)CCC1 ZINC000418943085 531869304 /nfs/dbraw/zinc/86/93/04/531869304.db2.gz YKNVVEBUEOBZIS-UHFFFAOYSA-N 1 0 394.313 1.985 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000298224825 531866861 /nfs/dbraw/zinc/86/68/61/531866861.db2.gz UXCHDMQEQKUIFQ-UHFFFAOYSA-N 1 0 389.543 1.088 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418941369 531867561 /nfs/dbraw/zinc/86/75/61/531867561.db2.gz VIUAIWZNIUEPEI-GFCCVEGCSA-N 1 0 382.302 1.698 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418944659 531868734 /nfs/dbraw/zinc/86/87/34/531868734.db2.gz OEYHSJHCZINZDG-IAQYHMDHSA-N 1 0 380.286 1.668 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418944370 531868759 /nfs/dbraw/zinc/86/87/59/531868759.db2.gz NRGJSOCTVRABGO-KMUNFCNLSA-N 1 0 380.286 1.667 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418942596 531868846 /nfs/dbraw/zinc/86/88/46/531868846.db2.gz XNJZTCIDCKESHZ-UHFFFAOYSA-N 1 0 382.302 1.713 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563606181 531856343 /nfs/dbraw/zinc/85/63/43/531856343.db2.gz ASHPQYXHTPBXMJ-YRGRVCCFSA-N 1 0 383.290 1.298 20 0 GDADRO CN(C)S(=O)(=O)NCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000298136742 531856813 /nfs/dbraw/zinc/85/68/13/531856813.db2.gz QLLRPTFYPBSFRL-UHFFFAOYSA-N 1 0 390.303 1.211 20 0 GDADRO CC(C)[C@H]1CN(C(=O)C(=O)NCCc2cccc(Br)c2)CC[NH2+]1 ZINC000642279202 531856923 /nfs/dbraw/zinc/85/69/23/531856923.db2.gz VZAPANHMAMRDMY-OAHLLOKOSA-N 1 0 382.302 1.564 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000563610899 531857287 /nfs/dbraw/zinc/85/72/87/531857287.db2.gz BOTHKARCEZWRSR-JKSUJKDBSA-N 1 0 398.301 1.911 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000563659719 531857884 /nfs/dbraw/zinc/85/78/84/531857884.db2.gz DNPLBYSPEYSJTB-UHFFFAOYSA-N 1 0 380.286 1.450 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000563633714 531858105 /nfs/dbraw/zinc/85/81/05/531858105.db2.gz QOARWKCJZOKRBU-GFCCVEGCSA-N 1 0 386.290 1.448 20 0 GDADRO CC(C)[NH+]1CCC(N(C)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000298159163 531858130 /nfs/dbraw/zinc/85/81/30/531858130.db2.gz OZRTUOYETAODGT-UHFFFAOYSA-N 1 0 387.278 1.043 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000642433224 531859601 /nfs/dbraw/zinc/85/96/01/531859601.db2.gz VZTVZTJMLNPSEB-OAHLLOKOSA-N 1 0 394.313 1.855 20 0 GDADRO O=C(NCCc1ccc(Br)s1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642506533 531860664 /nfs/dbraw/zinc/86/06/64/531860664.db2.gz UWTSDYSGISYDGH-ZYHUDNBSSA-N 1 0 386.315 1.380 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418894950 531861195 /nfs/dbraw/zinc/86/11/95/531861195.db2.gz SELFKYRXBILARH-JHJVBQTASA-N 1 0 386.279 1.460 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642769532 531862894 /nfs/dbraw/zinc/86/28/94/531862894.db2.gz TWROIIIOFGMEHY-MFKMUULPSA-N 1 0 386.283 1.127 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642724542 531863519 /nfs/dbraw/zinc/86/35/19/531863519.db2.gz VHDZPVROMFCPEA-ZDUSSCGKSA-N 1 0 384.274 1.332 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CSCCF)c1 ZINC000595018784 531864586 /nfs/dbraw/zinc/86/45/86/531864586.db2.gz GMECNBLPOVQSBM-VXGBXAGGSA-N 1 0 377.507 1.603 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000367826010 531869305 /nfs/dbraw/zinc/86/93/05/531869305.db2.gz XNRUYFQOOBTXID-ZDUSSCGKSA-N 1 0 375.288 1.878 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1I ZINC000595251586 531872137 /nfs/dbraw/zinc/87/21/37/531872137.db2.gz OCQZJALWXDQPPT-UHFFFAOYSA-N 1 0 399.232 1.488 20 0 GDADRO COC(=O)c1cc(S(N)(=O)=O)ccc1NC[C@@H](c1ccsc1)[NH+](C)C ZINC000298296855 531872222 /nfs/dbraw/zinc/87/22/22/531872222.db2.gz JNQHDOSZZOOBHF-HNNXBMFYSA-N 1 0 383.495 1.897 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)C1 ZINC000418966342 531873340 /nfs/dbraw/zinc/87/33/40/531873340.db2.gz NBHPVJWYWOKJOA-SNVBAGLBSA-N 1 0 383.279 1.941 20 0 GDADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418969431 531873413 /nfs/dbraw/zinc/87/34/13/531873413.db2.gz JACMOQUKPBINHK-KOLCDFICSA-N 1 0 394.273 1.185 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ncsc1Br ZINC000673186217 531873597 /nfs/dbraw/zinc/87/35/97/531873597.db2.gz UWNYVBUARBQEBJ-SNVBAGLBSA-N 1 0 389.319 1.578 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1F)c1cccs1 ZINC000298306570 531874013 /nfs/dbraw/zinc/87/40/13/531874013.db2.gz ONMXGDSQIJUBPD-ZDUSSCGKSA-N 1 0 385.486 1.585 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418974745 531874264 /nfs/dbraw/zinc/87/42/64/531874264.db2.gz PXRAATIHCPFOGR-SNVBAGLBSA-N 1 0 396.289 1.575 20 0 GDADRO C[C@H](CNS(=O)(=O)CCc1c(F)cccc1F)CN1CC[NH+](C)CC1 ZINC000625019055 531874622 /nfs/dbraw/zinc/87/46/22/531874622.db2.gz VASUZZICCJCJFK-CQSZACIVSA-N 1 0 375.485 1.310 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000595334369 531875285 /nfs/dbraw/zinc/87/52/85/531875285.db2.gz YKVGRWVSRROFQH-UHFFFAOYSA-N 1 0 393.303 1.854 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)c(C)c2)[C@H](C[NH3+])C1 ZINC000418991248 531875408 /nfs/dbraw/zinc/87/54/08/531875408.db2.gz MFNXTFXFOIWNJM-KBPBESRZSA-N 1 0 398.301 1.338 20 0 GDADRO CC1(CNC(=O)C(=O)NCCc2cccc(Br)c2)CC[NH2+]CC1 ZINC000418988194 531875511 /nfs/dbraw/zinc/87/55/11/531875511.db2.gz IGDASJGKZOZZCC-UHFFFAOYSA-N 1 0 382.302 1.614 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418984430 531875654 /nfs/dbraw/zinc/87/56/54/531875654.db2.gz DKHOJXJIONCGSM-CQSZACIVSA-N 1 0 382.302 1.614 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000418990924 531875883 /nfs/dbraw/zinc/87/58/83/531875883.db2.gz MCPKFAFTDFLODF-OCCSQVGLSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418992666 531877320 /nfs/dbraw/zinc/87/73/20/531877320.db2.gz OIBSKNAUCFTQRO-WFASDCNBSA-N 1 0 382.302 1.836 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CC[NH2+]C2)cc1Br ZINC000419005537 531878349 /nfs/dbraw/zinc/87/83/49/531878349.db2.gz GOSXVFSOAGUGKQ-QWRGUYRKSA-N 1 0 384.274 1.361 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000419010012 531879092 /nfs/dbraw/zinc/87/90/92/531879092.db2.gz OTOOOSGUFFVJQL-NWDGAFQWSA-N 1 0 398.301 1.703 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000298368472 531881229 /nfs/dbraw/zinc/88/12/29/531881229.db2.gz DACMFCFLHGQEKX-CYBMUJFWSA-N 1 0 389.543 1.229 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419017362 531882102 /nfs/dbraw/zinc/88/21/02/531882102.db2.gz GAOWGMPHGLPNHO-WCQYABFASA-N 1 0 382.258 1.257 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419025457 531883002 /nfs/dbraw/zinc/88/30/02/531883002.db2.gz SJNXJISQGWVHJC-QWHCGFSZSA-N 1 0 382.302 1.707 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000419027496 531883390 /nfs/dbraw/zinc/88/33/90/531883390.db2.gz VZBNJOWDUZCGTL-CHWSQXEVSA-N 1 0 382.258 1.242 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000283499356 531869419 /nfs/dbraw/zinc/86/94/19/531869419.db2.gz PKVAAUVKWTVGBQ-UHFFFAOYSA-N 1 0 382.302 1.708 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@](C)(O)CO)CC1 ZINC000643385531 531869927 /nfs/dbraw/zinc/86/99/27/531869927.db2.gz VCWPOLDZECZMRM-QGZVFWFLSA-N 1 0 385.302 1.695 20 0 GDADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000566684251 531891537 /nfs/dbraw/zinc/89/15/37/531891537.db2.gz JHLPAUMLCDFQMK-UHFFFAOYSA-N 1 0 378.420 1.408 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419051977 531892302 /nfs/dbraw/zinc/89/23/02/531892302.db2.gz GXXJJCDDZZAORX-TZMCWYRMSA-N 1 0 382.302 1.755 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000419051729 531892609 /nfs/dbraw/zinc/89/26/09/531892609.db2.gz GQCJKSUAYMLJNU-QMTHXVAHSA-N 1 0 388.281 1.735 20 0 GDADRO CC[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC[C@H]1[NH3+] ZINC000647004409 531892712 /nfs/dbraw/zinc/89/27/12/531892712.db2.gz KTRSVAKVALOYDP-RBSFLKMASA-N 1 0 385.555 1.795 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419052673 531892892 /nfs/dbraw/zinc/89/28/92/531892892.db2.gz IBROUDWGFQVUNG-SCLBCKFNSA-N 1 0 394.313 1.708 20 0 GDADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000595932314 531893618 /nfs/dbraw/zinc/89/36/18/531893618.db2.gz NLTFPHPEMNTLIN-NXEZZACHSA-N 1 0 380.251 1.375 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419054738 531894247 /nfs/dbraw/zinc/89/42/47/531894247.db2.gz MVBASLLYWIERSB-OLZOCXBDSA-N 1 0 382.302 1.612 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419054665 531894314 /nfs/dbraw/zinc/89/43/14/531894314.db2.gz MMNOAHZCJDSTIT-SNPRPXQTSA-N 1 0 394.313 1.564 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419054871 531894334 /nfs/dbraw/zinc/89/43/34/531894334.db2.gz MVBASLLYWIERSB-STQMWFEESA-N 1 0 382.302 1.612 20 0 GDADRO CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)cc1Cl ZINC000647272259 531894689 /nfs/dbraw/zinc/89/46/89/531894689.db2.gz HFHZCZOYHVOCEP-DTORHVGOSA-N 1 0 396.296 1.228 20 0 GDADRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000298507022 531894706 /nfs/dbraw/zinc/89/47/06/531894706.db2.gz KLQHFSCXGRDSLG-NEPJUHHUSA-N 1 0 385.511 1.072 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000419056532 531895420 /nfs/dbraw/zinc/89/54/20/531895420.db2.gz RJGBFLBLNHHZPW-MNOVXSKESA-N 1 0 388.281 1.607 20 0 GDADRO CCC[NH2+]CCNC(=O)c1sc2c(c1I)CNC2 ZINC000595949517 531895810 /nfs/dbraw/zinc/89/58/10/531895810.db2.gz WFOABEGVDLSYKA-UHFFFAOYSA-N 1 0 379.267 1.685 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419059707 531896572 /nfs/dbraw/zinc/89/65/72/531896572.db2.gz YAEANCSQANSUKI-STQMWFEESA-N 1 0 382.302 1.612 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419066446 531896597 /nfs/dbraw/zinc/89/65/97/531896597.db2.gz JPDLFEZIZQVBRD-MWLCHTKSSA-N 1 0 388.693 1.914 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000419065839 531896673 /nfs/dbraw/zinc/89/66/73/531896673.db2.gz JBASWLQFLCOBTF-SWLSCSKDSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419060601 531896735 /nfs/dbraw/zinc/89/67/35/531896735.db2.gz ZJNQSTJNBOPSJX-YRGRVCCFSA-N 1 0 382.302 1.753 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000419079730 531897609 /nfs/dbraw/zinc/89/76/09/531897609.db2.gz NPHOICDJPQKJIG-GFCCVEGCSA-N 1 0 380.286 1.417 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000567572742 531898347 /nfs/dbraw/zinc/89/83/47/531898347.db2.gz XHXCJNISUCXPLN-HOCLYGCPSA-N 1 0 396.333 1.231 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000567579495 531898530 /nfs/dbraw/zinc/89/85/30/531898530.db2.gz FVXXIVFVDXCAHT-OAHLLOKOSA-N 1 0 397.317 1.915 20 0 GDADRO O=C(NCCSCc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419103207 531899070 /nfs/dbraw/zinc/89/90/70/531899070.db2.gz ZYWKBTBWGXMWJD-LBPRGKRZSA-N 1 0 376.309 1.821 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419031605 531884713 /nfs/dbraw/zinc/88/47/13/531884713.db2.gz AGRMVBZDAPZMIN-MFKMUULPSA-N 1 0 382.258 1.209 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419032994 531884756 /nfs/dbraw/zinc/88/47/56/531884756.db2.gz BWKJCJWIFMHJRZ-SWHYSGLUSA-N 1 0 396.285 1.503 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419038624 531885546 /nfs/dbraw/zinc/88/55/46/531885546.db2.gz JVHQBFWFVIDGRS-RYUDHWBXSA-N 1 0 384.249 1.272 20 0 GDADRO COC(=O)CC1([NH2+]CCSc2cccc(OC)c2)CCS(=O)(=O)CC1 ZINC000595457879 531885725 /nfs/dbraw/zinc/88/57/25/531885725.db2.gz FTJJJQHNBRGPBW-UHFFFAOYSA-N 1 0 387.523 1.887 20 0 GDADRO CC[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000419039400 531885783 /nfs/dbraw/zinc/88/57/83/531885783.db2.gz HCRABXFUAWUCNE-KXUCPTDWSA-N 1 0 378.420 1.843 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)c1nc(C(F)(F)F)cs1 ZINC000419038952 531885953 /nfs/dbraw/zinc/88/59/53/531885953.db2.gz GGYYKUHZVHFLLF-DTWKUNHWSA-N 1 0 378.420 1.925 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1nc(C(F)(F)F)cs1 ZINC000419036618 531886205 /nfs/dbraw/zinc/88/62/05/531886205.db2.gz BSECICMHORJFOT-VIFPVBQESA-N 1 0 378.420 1.940 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419036437 531886396 /nfs/dbraw/zinc/88/63/96/531886396.db2.gz GYIYYFKJUKJMRB-GWCFXTLKSA-N 1 0 382.258 1.257 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000419042244 531887041 /nfs/dbraw/zinc/88/70/41/531887041.db2.gz LKHXPEQYOVCOJD-WPRPVWTQSA-N 1 0 378.420 1.973 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000283701640 531887156 /nfs/dbraw/zinc/88/71/56/531887156.db2.gz ILJHGLKCLNAUTQ-CQSZACIVSA-N 1 0 398.301 1.847 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1)c1nc(C(F)(F)F)cs1 ZINC000419041881 531887511 /nfs/dbraw/zinc/88/75/11/531887511.db2.gz KRQWKPOOJPFYMU-NXEZZACHSA-N 1 0 378.420 1.797 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(I)cn1 ZINC000566458444 531887958 /nfs/dbraw/zinc/88/79/58/531887958.db2.gz TWUGODTWXJEAIG-LBPRGKRZSA-N 1 0 391.253 1.509 20 0 GDADRO O=C(NCc1cc(Cl)ccc1OC(F)F)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419043001 531888245 /nfs/dbraw/zinc/88/82/45/531888245.db2.gz MVEZGYXXFBHGDQ-JTQLQIEISA-N 1 0 375.803 1.673 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419043783 531888305 /nfs/dbraw/zinc/88/83/05/531888305.db2.gz RRWNYPLBWHABGI-SMDDNHRTSA-N 1 0 386.265 1.838 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CCN2C1=O ZINC000566496838 531888925 /nfs/dbraw/zinc/88/89/25/531888925.db2.gz UZFVXFUVPFQRNR-YPMHNXCESA-N 1 0 392.308 1.011 20 0 GDADRO COC(=O)Cn1cc(CC[N@H+](C)C[C@H](O)c2cccc(Br)c2)nn1 ZINC000298440947 531888865 /nfs/dbraw/zinc/88/88/65/531888865.db2.gz QQPNCCNAZJYWSV-HNNXBMFYSA-N 1 0 397.273 1.422 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC[C@@H](C)[NH+](C)C ZINC000298452654 531889856 /nfs/dbraw/zinc/88/98/56/531889856.db2.gz VGYLRNVEHGRWAG-ZBFHGGJFSA-N 1 0 387.571 1.461 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2ccnc(OCC(F)(F)F)n2)C[C@H]1[NH+](C)C ZINC000455996421 531890454 /nfs/dbraw/zinc/89/04/54/531890454.db2.gz YYUJBUIWWUAFSA-NXEZZACHSA-N 1 0 379.408 1.927 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000419048483 531891076 /nfs/dbraw/zinc/89/10/76/531891076.db2.gz AEJBFKRNPWOWQN-GXTWGEPZSA-N 1 0 384.318 1.986 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419156278 531905752 /nfs/dbraw/zinc/90/57/52/531905752.db2.gz SXDMGFVIULAKCE-AWEZNQCLSA-N 1 0 398.301 1.456 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(F)ccc1Br ZINC000419160169 531905911 /nfs/dbraw/zinc/90/59/11/531905911.db2.gz PIOPONLWMGXGRY-CYBMUJFWSA-N 1 0 386.265 1.805 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419156279 531905936 /nfs/dbraw/zinc/90/59/36/531905936.db2.gz SXDMGFVIULAKCE-CQSZACIVSA-N 1 0 398.301 1.456 20 0 GDADRO CCCN(C(=O)C(=O)NCc1cc(F)ccc1Br)[C@H]1CC[NH2+]C1 ZINC000419156292 531906048 /nfs/dbraw/zinc/90/60/48/531906048.db2.gz JFAPNEJDOQICJI-ZDUSSCGKSA-N 1 0 386.265 1.805 20 0 GDADRO CSc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000298619049 531906207 /nfs/dbraw/zinc/90/62/07/531906207.db2.gz UQNKPKNBDABJMC-YPMHNXCESA-N 1 0 385.511 1.072 20 0 GDADRO CNS(=O)(=O)Cc1ccc(CNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000674871580 531907266 /nfs/dbraw/zinc/90/72/66/531907266.db2.gz ATZTUTRUSPSVOW-UHFFFAOYSA-N 1 0 381.523 1.789 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368379815 531907667 /nfs/dbraw/zinc/90/76/67/531907667.db2.gz VMQLXAMZOLFOAC-SMDDNHRTSA-N 1 0 391.269 1.369 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419172056 531908286 /nfs/dbraw/zinc/90/82/86/531908286.db2.gz YKKWPPCYDJZQFX-STQMWFEESA-N 1 0 382.302 1.878 20 0 GDADRO O=C(COc1ccc(I)cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368375694 531908360 /nfs/dbraw/zinc/90/83/60/531908360.db2.gz KDACPIVIKADFAX-CYBMUJFWSA-N 1 0 386.233 1.928 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCCCc2ccc(Br)cc2F)CCC1 ZINC000419167117 531908913 /nfs/dbraw/zinc/90/89/13/531908913.db2.gz CQFUMGNCFMVKJO-UHFFFAOYSA-N 1 0 386.265 1.635 20 0 GDADRO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000368396526 531909358 /nfs/dbraw/zinc/90/93/58/531909358.db2.gz DNOHECOOMXVUHC-ZIAGYGMSSA-N 1 0 388.452 1.253 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419212130 531914264 /nfs/dbraw/zinc/91/42/64/531914264.db2.gz ZDHAWZQRBWPYAG-QWRGUYRKSA-N 1 0 384.274 1.270 20 0 GDADRO [NH3+][C@@H]1CCc2ncc(NC(=O)Cn3cc(Br)ccc3=O)cc2C1 ZINC000568500352 531909979 /nfs/dbraw/zinc/90/99/79/531909979.db2.gz DGYSVVZMYXUXEG-GFCCVEGCSA-N 1 0 377.242 1.461 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419196583 531911580 /nfs/dbraw/zinc/91/15/80/531911580.db2.gz ZTRJXQGQNPMCDA-AWEZNQCLSA-N 1 0 397.317 1.212 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419192877 531911698 /nfs/dbraw/zinc/91/16/98/531911698.db2.gz TZAJOLRZRSOJCU-UHFFFAOYSA-N 1 0 384.318 1.911 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000419198258 531911930 /nfs/dbraw/zinc/91/19/30/531911930.db2.gz YWBKXNQIYPGMDW-IUODEOHRSA-N 1 0 382.302 1.836 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCc1ccccc1Br ZINC000419199896 531911957 /nfs/dbraw/zinc/91/19/57/531911957.db2.gz DCWXBFCGLORDNW-IUODEOHRSA-N 1 0 382.302 1.836 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419196586 531912082 /nfs/dbraw/zinc/91/20/82/531912082.db2.gz ZTRJXQGQNPMCDA-CQSZACIVSA-N 1 0 397.317 1.212 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCCc1ccc(Br)s1)[N@H+](C)C1CC1 ZINC000283955206 531913060 /nfs/dbraw/zinc/91/30/60/531913060.db2.gz NNUYPHQWSWDCNB-SNVBAGLBSA-N 1 0 388.331 1.768 20 0 GDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(OC(F)F)c1 ZINC000675818763 531913056 /nfs/dbraw/zinc/91/30/56/531913056.db2.gz DJTPSZMMRQTCFF-ZDUSSCGKSA-N 1 0 377.457 1.516 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccc(Br)s1 ZINC000419104188 531900724 /nfs/dbraw/zinc/90/07/24/531900724.db2.gz AASFEMQIBRTLQU-JQWIXIFHSA-N 1 0 388.331 1.898 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000419105624 531901033 /nfs/dbraw/zinc/90/10/33/531901033.db2.gz UVRKVVVPBAPTDP-CQSZACIVSA-N 1 0 385.295 1.118 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000419108060 531901655 /nfs/dbraw/zinc/90/16/55/531901655.db2.gz LNLSDJCCNFRYIT-LLVKDONJSA-N 1 0 396.207 1.894 20 0 GDADRO O=C(NCc1ccc(Br)cc1Cl)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419131230 531902544 /nfs/dbraw/zinc/90/25/44/531902544.db2.gz GLJAKXPXAPFIHJ-MFKMUULPSA-N 1 0 386.677 1.539 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419129490 531902806 /nfs/dbraw/zinc/90/28/06/531902806.db2.gz DERYFCXBPPWXRX-SMDDNHRTSA-N 1 0 388.295 1.993 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000419136687 531903227 /nfs/dbraw/zinc/90/32/27/531903227.db2.gz PLGMRFVBCAEVBR-KOLCDFICSA-N 1 0 388.693 1.914 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000368308299 531903534 /nfs/dbraw/zinc/90/35/34/531903534.db2.gz RQVSYEPZEAYBKP-QGZVFWFLSA-N 1 0 385.917 1.758 20 0 GDADRO O=C(NCc1ccccc1Br)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419142487 531903775 /nfs/dbraw/zinc/90/37/75/531903775.db2.gz GLUIMJJXVDCQFW-KWCYVHTRSA-N 1 0 380.286 1.570 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000298599626 531904118 /nfs/dbraw/zinc/90/41/18/531904118.db2.gz QFZUVEVCQYLCEF-CYBMUJFWSA-N 1 0 398.326 1.942 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1c2ccc(Br)cc2nn1C ZINC000648905949 531917155 /nfs/dbraw/zinc/91/71/55/531917155.db2.gz ZAFIDQUZTFHYKP-UHFFFAOYSA-N 1 0 396.333 1.949 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419256244 531917709 /nfs/dbraw/zinc/91/77/09/531917709.db2.gz HFPUJKYQUGNZDL-CYBMUJFWSA-N 1 0 384.274 1.284 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1nn(C)cc1I ZINC000456511853 531918690 /nfs/dbraw/zinc/91/86/90/531918690.db2.gz UHHRLUXMHXVHNZ-NSHDSACASA-N 1 0 390.269 1.905 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000569087015 531919549 /nfs/dbraw/zinc/91/95/49/531919549.db2.gz UUBPHRDGGGNTJB-UHFFFAOYSA-N 1 0 377.329 1.834 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)C(F)(F)F ZINC000625899204 531919594 /nfs/dbraw/zinc/91/95/94/531919594.db2.gz MMKLKRDEPXQODT-MWLCHTKSSA-N 1 0 382.745 1.773 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000419264293 531920091 /nfs/dbraw/zinc/92/00/91/531920091.db2.gz XJBBEJVPQSESAZ-OLZOCXBDSA-N 1 0 398.301 1.530 20 0 GDADRO C[C@H](NC(=O)c1cc2c(cccc2Br)[nH]1)C(=O)NCC[NH+](C)C ZINC000569354306 531920805 /nfs/dbraw/zinc/92/08/05/531920805.db2.gz IQFUXPYTBCGFJE-JTQLQIEISA-N 1 0 381.274 1.727 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000569358819 531920857 /nfs/dbraw/zinc/92/08/57/531920857.db2.gz NPJWYFGURNMKMX-SWLSCSKDSA-N 1 0 382.302 1.755 20 0 GDADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649079978 531920980 /nfs/dbraw/zinc/92/09/80/531920980.db2.gz NZYFYOKUCCXWEV-QWHCGFSZSA-N 1 0 398.301 1.795 20 0 GDADRO O=C(NCc1ccc(O)c(Br)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000368556112 531921487 /nfs/dbraw/zinc/92/14/87/531921487.db2.gz LMFSOPSLFWYXNE-GOEBONIOSA-N 1 0 398.301 1.895 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419300240 531921509 /nfs/dbraw/zinc/92/15/09/531921509.db2.gz LMGZBCCFKYLXLT-DOMZBBRYSA-N 1 0 380.286 1.502 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1csc(Br)c1 ZINC000419275742 531921850 /nfs/dbraw/zinc/92/18/50/531921850.db2.gz DBRVDLLCPDASPH-NSHDSACASA-N 1 0 376.320 1.959 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419307357 531922431 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[NH3+]CC[C@H](NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C(F)F ZINC000569847775 531932227 /nfs/dbraw/zinc/93/22/27/531932227.db2.gz HRUBMUSVHYRSLQ-VIFPVBQESA-N 1 0 390.239 1.370 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000368773032 531932445 /nfs/dbraw/zinc/93/24/45/531932445.db2.gz RBJKYVVJTMZZEA-GJZGRUSLSA-N 1 0 385.555 1.749 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1cc(Br)cnc1-n1cccn1 ZINC000626498029 531933539 /nfs/dbraw/zinc/93/35/39/531933539.db2.gz LJXUEUBLVBHEQZ-LBPRGKRZSA-N 1 0 395.261 1.218 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000419446114 531933712 /nfs/dbraw/zinc/93/37/12/531933712.db2.gz SJBAVPBBKMFBHQ-PWSUYJOCSA-N 1 0 384.274 1.331 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000570093484 531933955 /nfs/dbraw/zinc/93/39/55/531933955.db2.gz MTWCITXIWNNPFM-UWVGGRQHSA-N 1 0 386.265 1.715 20 0 GDADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419473487 531934439 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531941963 /nfs/dbraw/zinc/94/19/63/531941963.db2.gz QBRMJGCCMNYGFR-GZMMTYOYSA-N 1 0 388.237 1.792 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000419613768 531942600 /nfs/dbraw/zinc/94/26/00/531942600.db2.gz NZNKJOQGBKVBMQ-ZOWXZIJZSA-N 1 0 398.301 1.528 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000419614169 531942960 /nfs/dbraw/zinc/94/29/60/531942960.db2.gz OKVQAAJVTPJUDT-STQMWFEESA-N 1 0 398.301 1.448 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1Br ZINC000419627612 531944804 /nfs/dbraw/zinc/94/48/04/531944804.db2.gz YEHRJSLNKYYSAW-AGIUHOORSA-N 1 0 398.301 1.719 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000419624686 531945308 /nfs/dbraw/zinc/94/53/08/531945308.db2.gz VWVKOQBDFMJTHL-GFCCVEGCSA-N 1 0 386.290 1.448 20 0 GDADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)NC[C@@H]1COCC[NH2+]1 ZINC000627184908 531946104 /nfs/dbraw/zinc/94/61/04/531946104.db2.gz DMNHKFCLBPRRQX-MNOVXSKESA-N 1 0 378.256 1.021 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2)c(C)s1 ZINC000570960885 531946183 /nfs/dbraw/zinc/94/61/83/531946183.db2.gz YLONOHCWOGIHKO-NWDGAFQWSA-N 1 0 388.559 1.507 20 0 GDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000627179920 531946567 /nfs/dbraw/zinc/94/65/67/531946567.db2.gz QHUMZCWERUCOGV-ZETCQYMHSA-N 1 0 396.644 1.219 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000652379885 531946685 /nfs/dbraw/zinc/94/66/85/531946685.db2.gz SVILLUUVENTDPK-NOZJJQNGSA-N 1 0 381.267 1.573 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)[C@H]1CC[NH3+] ZINC000652377896 531946698 /nfs/dbraw/zinc/94/66/98/531946698.db2.gz SAKZQYVVNBYSLS-KGLIPLIRSA-N 1 0 389.543 1.075 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2cccc(Br)c2)CC1 ZINC000419639001 531946815 /nfs/dbraw/zinc/94/68/15/531946815.db2.gz JNJAAZKXEJQCFI-UHFFFAOYSA-N 1 0 382.302 1.913 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419631178 531946864 /nfs/dbraw/zinc/94/68/64/531946864.db2.gz NVPWMBYJKGANTQ-NHYWBVRUSA-N 1 0 398.301 1.591 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c(Cl)s1 ZINC000369181825 531947561 /nfs/dbraw/zinc/94/75/61/531947561.db2.gz BXKLVCGOXIHNNJ-UHFFFAOYSA-N 1 0 398.959 1.569 20 0 GDADRO C[C@H](Cc1ccsc1)NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627301667 531949168 /nfs/dbraw/zinc/94/91/68/531949168.db2.gz LFASJYGNEGIIGF-RAIGVLPGSA-N 1 0 377.432 1.781 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000419658667 531949206 /nfs/dbraw/zinc/94/92/06/531949206.db2.gz XMANHEVMKHNEIP-QMMMGPOBSA-N 1 0 376.226 1.602 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419658640 531949503 /nfs/dbraw/zinc/94/95/03/531949503.db2.gz XGYDJWNQGKNLQG-DZGCQCFKSA-N 1 0 395.301 1.094 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1nc(C(F)(F)F)cs1 ZINC000627314386 531949673 /nfs/dbraw/zinc/94/96/73/531949673.db2.gz BAWZIALKTIQPDG-RKDXNWHRSA-N 1 0 376.404 1.740 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000627314798 531950025 /nfs/dbraw/zinc/95/00/25/531950025.db2.gz NJMWJEMBXBNDEY-NWDGAFQWSA-N 1 0 375.803 1.814 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000627297030 531950176 /nfs/dbraw/zinc/95/01/76/531950176.db2.gz ZVLQHIGFZVUFHQ-CYBMUJFWSA-N 1 0 387.311 1.886 20 0 GDADRO C[C@H](Oc1ccc(I)cc1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000597653897 531950828 /nfs/dbraw/zinc/95/08/28/531950828.db2.gz NSPTZMHZMINVOQ-JQWIXIFHSA-N 1 0 392.237 1.097 20 0 GDADRO CCc1cnc(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000627392640 531950919 /nfs/dbraw/zinc/95/09/19/531950919.db2.gz AZKMAOLVZKSHFX-GXSJLCMTSA-N 1 0 378.420 1.307 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000626869555 531940401 /nfs/dbraw/zinc/94/04/01/531940401.db2.gz ZNEQXTXGVVOEBT-UHFFFAOYSA-N 1 0 396.644 1.532 20 0 GDADRO Cc1sc(Br)nc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000298932686 531940426 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CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ncccc2Br)CC1 ZINC000656935840 531984069 /nfs/dbraw/zinc/98/40/69/531984069.db2.gz XFHZZKUOWRGGCE-UHFFFAOYSA-N 1 0 392.319 1.358 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3ccccc3I)C[C@@H]12 ZINC000573428038 531984762 /nfs/dbraw/zinc/98/47/62/531984762.db2.gz UCHXRAPVGBARFO-HOSYDEDBSA-N 1 0 399.232 1.425 20 0 GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419921213 531986213 /nfs/dbraw/zinc/98/62/13/531986213.db2.gz NFIWZHAMIAVJGQ-JSGCOSHPSA-N 1 0 394.313 1.838 20 0 GDADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419927161 531987147 /nfs/dbraw/zinc/98/71/47/531987147.db2.gz VRPWXLSBBZEJGT-WCQYABFASA-N 1 0 386.279 1.699 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419954963 531989502 /nfs/dbraw/zinc/98/95/02/531989502.db2.gz RUIINXRESROYRG-CQSZACIVSA-N 1 0 398.301 1.545 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000419963899 531990969 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GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@H]2C)C[C@H]1[NH3+] ZINC000423473589 532075546 /nfs/dbraw/zinc/07/55/46/532075546.db2.gz IYLUAUHCNGGWAP-UEKVPHQBSA-N 1 0 380.286 1.700 20 0 GDADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423231117 532074423 /nfs/dbraw/zinc/07/44/23/532074423.db2.gz KXSHVPXNSIIBDL-JSGCOSHPSA-N 1 0 396.285 1.681 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2cc[nH]c(=O)c2Br)ccc1=O ZINC000469695678 532077871 /nfs/dbraw/zinc/07/78/71/532077871.db2.gz NRDSAHOERJXPPR-UHFFFAOYSA-N 1 0 381.230 1.525 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Br)[C@@H](C)C[NH2+]1 ZINC000423650898 532077977 /nfs/dbraw/zinc/07/79/77/532077977.db2.gz LEXOLXNCIYCQGV-QWRGUYRKSA-N 1 0 386.265 1.755 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Br)[C@H](C)C[NH2+]1 ZINC000423650896 532078213 /nfs/dbraw/zinc/07/82/13/532078213.db2.gz LEXOLXNCIYCQGV-GHMZBOCLSA-N 1 0 386.265 1.755 20 0 GDADRO CN(C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000581077143 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1.155 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423719328 532079571 /nfs/dbraw/zinc/07/95/71/532079571.db2.gz FEUGMXDQTFDLRV-UHFFFAOYSA-N 1 0 398.276 1.901 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423697708 532079633 /nfs/dbraw/zinc/07/96/33/532079633.db2.gz NJKJPGPRRDMHKE-KGLIPLIRSA-N 1 0 380.286 1.760 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000423709676 532079870 /nfs/dbraw/zinc/07/98/70/532079870.db2.gz IVOPXUBOCROIIR-CQSZACIVSA-N 1 0 382.302 1.833 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)[C@@H]1C[NH3+] ZINC000423745164 532080796 /nfs/dbraw/zinc/08/07/96/532080796.db2.gz XBMJFEUOHUWNPR-NXEZZACHSA-N 1 0 378.420 1.706 20 0 GDADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000285416786 532081232 /nfs/dbraw/zinc/08/12/32/532081232.db2.gz JJRHMCBDRBHLIX-APHBMKBZSA-N 1 0 376.291 1.659 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000423836996 532081504 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385.917 1.895 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000330493449 532125361 /nfs/dbraw/zinc/12/53/61/532125361.db2.gz MMLGVBWLOYKPBY-CABCVRRESA-N 1 0 375.535 1.216 20 0 GDADRO Cc1cc(F)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(F)c1 ZINC000425198871 532126777 /nfs/dbraw/zinc/12/67/77/532126777.db2.gz BMOPCQQKIMQBGP-GFCCVEGCSA-N 1 0 375.441 1.139 20 0 GDADRO O=C(NC[C@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000272989991 532127700 /nfs/dbraw/zinc/12/77/00/532127700.db2.gz FIPDVCFMFFNUBM-SWLSCSKDSA-N 1 0 380.286 1.779 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)C[C@@H]21 ZINC000374612196 532129668 /nfs/dbraw/zinc/12/96/68/532129668.db2.gz OCFXMERCEIGYJP-OUAUKWLOSA-N 1 0 377.919 1.266 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CSCc3cc(=O)n4ccsc4n3)C[C@H]21 ZINC000374602233 532129847 /nfs/dbraw/zinc/12/98/47/532129847.db2.gz HLSJGCJUMBGMJN-MRVWCRGKSA-N 1 0 378.523 1.575 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]CN2CCC(=O)CC2)c1 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ZINC000273423738 532149375 /nfs/dbraw/zinc/14/93/75/532149375.db2.gz RMZMUHQBZILTRR-UHFFFAOYSA-N 1 0 384.376 1.717 20 0 GDADRO C[C@@H]([NH2+]Cc1ncc(I)s1)[C@@H](C)N1CCOCC1 ZINC000286631147 532165153 /nfs/dbraw/zinc/16/51/53/532165153.db2.gz SPARCTUOUYGJKP-NXEZZACHSA-N 1 0 381.283 1.947 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000332122893 532165695 /nfs/dbraw/zinc/16/56/95/532165695.db2.gz GJCKMHUPYAUKST-YPMHNXCESA-N 1 0 382.258 1.339 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nc3ncc(Br)cn3n2)C[C@@H]1C ZINC000332149798 532167062 /nfs/dbraw/zinc/16/70/62/532167062.db2.gz ILRAJWCUNHLADW-CMPLNLGQSA-N 1 0 381.278 1.832 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)c1Br ZINC000426318369 532167696 /nfs/dbraw/zinc/16/76/96/532167696.db2.gz JLMQWWSCDFGYTO-JTQLQIEISA-N 1 0 398.257 1.385 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C[C@@H]1[NH3+] ZINC000332177417 532168307 /nfs/dbraw/zinc/16/83/07/532168307.db2.gz RINKDTVCCZZDED-OTYXRUKQSA-N 1 0 384.249 1.279 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)c1Br ZINC000426077881 532160830 /nfs/dbraw/zinc/16/08/30/532160830.db2.gz GKLSADSBQZBOHL-UHFFFAOYSA-N 1 0 398.257 1.385 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000332059078 532161565 /nfs/dbraw/zinc/16/15/65/532161565.db2.gz WWUINLJJEIJHLH-UHFFFAOYSA-N 1 0 393.285 1.268 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c1Br ZINC000426095358 532161728 /nfs/dbraw/zinc/16/17/28/532161728.db2.gz CIGPHAGFXMNFJC-SECBINFHSA-N 1 0 386.246 1.241 20 0 GDADRO CNS(=O)(=O)c1cc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1C ZINC000273677262 532164220 /nfs/dbraw/zinc/16/42/20/532164220.db2.gz JVBKLNGQBNAAMX-KGLIPLIRSA-N 1 0 386.543 1.412 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC[C@@H]1[NH3+] ZINC000332288584 532177922 /nfs/dbraw/zinc/17/79/22/532177922.db2.gz SOGFGPRHROIXRG-RNCFNFMXSA-N 1 0 384.249 1.673 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)s1 ZINC000286931558 532185651 /nfs/dbraw/zinc/18/56/51/532185651.db2.gz BRZNXHHZTIXHLU-GXTWGEPZSA-N 1 0 386.543 1.424 20 0 GDADRO O=S(=O)(N[C@H]1CCCC[NH2+]C1)c1cccc(I)c1 ZINC000332315610 532179417 /nfs/dbraw/zinc/17/94/17/532179417.db2.gz NVCFWNUAGKYQBX-NSHDSACASA-N 1 0 380.251 1.712 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccccc3Br)CC2)C1=O ZINC000332310048 532179765 /nfs/dbraw/zinc/17/97/65/532179765.db2.gz NYDXVIXTIQCREO-HNNXBMFYSA-N 1 0 380.286 1.874 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332309661 532179927 /nfs/dbraw/zinc/17/99/27/532179927.db2.gz MPAYPHIWPSJGTP-WDEREUQCSA-N 1 0 384.249 1.903 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC1 ZINC000332373810 532183130 /nfs/dbraw/zinc/18/31/30/532183130.db2.gz YYGSEXBOTCJXRY-UHFFFAOYSA-N 1 0 384.249 1.675 20 0 GDADRO C[C@@H]1[C@H](C)N(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC[N@H+]1C ZINC000332368996 532183136 /nfs/dbraw/zinc/18/31/36/532183136.db2.gz QEILPRLMHBXVQO-NEPJUHHUSA-N 1 0 396.285 1.726 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000286886646 532183541 /nfs/dbraw/zinc/18/35/41/532183541.db2.gz XBXQSKWOESKAOW-JTQLQIEISA-N 1 0 386.290 1.775 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CCCO1 ZINC000332237728 532173449 /nfs/dbraw/zinc/17/34/49/532173449.db2.gz SFWOKJUBRQDHPF-VIFPVBQESA-N 1 0 383.695 1.841 20 0 GDADRO CCc1oc(C(=O)OC)cc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000332621715 532200994 /nfs/dbraw/zinc/20/09/94/532200994.db2.gz GKBBZABKNZKVGS-GXFFZTMASA-N 1 0 376.500 1.295 20 0 GDADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])c1 ZINC000427928300 532194295 /nfs/dbraw/zinc/19/42/95/532194295.db2.gz CKWTVGAZJABDRN-KGLIPLIRSA-N 1 0 390.889 1.644 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1 ZINC000427944184 532194733 /nfs/dbraw/zinc/19/47/33/532194733.db2.gz GNVGTOGSTCXOIQ-AWEZNQCLSA-N 1 0 391.559 1.513 20 0 GDADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000427949865 532194830 /nfs/dbraw/zinc/19/48/30/532194830.db2.gz LFULPEXHGZXAHP-AWEZNQCLSA-N 1 0 389.543 1.267 20 0 GDADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000332555061 532195220 /nfs/dbraw/zinc/19/52/20/532195220.db2.gz MJJDPQKOFSEJJY-UFBFGSQYSA-N 1 0 388.212 1.876 20 0 GDADRO [NH3+]CC1CCN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC1 ZINC000332572271 532195787 /nfs/dbraw/zinc/19/57/87/532195787.db2.gz ZFGOAHNETIAFEN-UHFFFAOYSA-N 1 0 398.305 1.883 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2c(c(Br)c1)OCO2 ZINC000332567765 532195884 /nfs/dbraw/zinc/19/58/84/532195884.db2.gz BQZVKXNXTDDCPI-LBPRGKRZSA-N 1 0 385.258 1.754 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)CC2 ZINC000332584451 532197999 /nfs/dbraw/zinc/19/79/99/532197999.db2.gz HBSGXFZXMVPNPI-CYBMUJFWSA-N 1 0 380.286 1.592 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000287142926 532198588 /nfs/dbraw/zinc/19/85/88/532198588.db2.gz LLNOHXGJYRACRF-RYUDHWBXSA-N 1 0 386.290 1.990 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)CC[C@@H]1[NH3+] ZINC000332614877 532200144 /nfs/dbraw/zinc/20/01/44/532200144.db2.gz QPDWGNKCMXEMBC-BMIGLBTASA-N 1 0 398.276 1.669 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)C[C@H]1C[NH3+] ZINC000332620892 532200441 /nfs/dbraw/zinc/20/04/41/532200441.db2.gz RDFRNRWVQBENOO-SWLSCSKDSA-N 1 0 394.313 1.777 20 0 GDADRO CCN(C(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000286938312 532186932 /nfs/dbraw/zinc/18/69/32/532186932.db2.gz LQSYLHQZSSYSGU-HOTGVXAUSA-N 1 0 388.917 1.389 20 0 GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1ccc(Br)o1 ZINC000286977169 532188359 /nfs/dbraw/zinc/18/83/59/532188359.db2.gz GMHVLOZQGRQJTM-NWDGAFQWSA-N 1 0 384.274 1.857 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000376313042 532205180 /nfs/dbraw/zinc/20/51/80/532205180.db2.gz AUWSECZGXQJQAX-KBPBESRZSA-N 1 0 388.559 1.398 20 0 GDADRO C[C@H](C[NH3+])NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 ZINC000274392282 532207069 /nfs/dbraw/zinc/20/70/69/532207069.db2.gz DLQXVNXDIWMZJE-DGCLKSJQSA-N 1 0 391.331 1.506 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376348745 532208763 /nfs/dbraw/zinc/20/87/63/532208763.db2.gz HBEWOYJGTDLCGZ-SWLSCSKDSA-N 1 0 390.912 1.521 20 0 GDADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CSCc2cccnc2)c1 ZINC000428514464 532210150 /nfs/dbraw/zinc/21/01/50/532210150.db2.gz WFECWYWNXPQRBK-UHFFFAOYSA-N 1 0 380.495 1.191 20 0 GDADRO C[N@H+](CCNC(=O)NC[C@@H](CO)Cc1ccccc1Br)C1CC1 ZINC000428601053 532212454 /nfs/dbraw/zinc/21/24/54/532212454.db2.gz YEAISNHDUSIMQR-ZDUSSCGKSA-N 1 0 384.318 1.994 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000274561563 532217540 /nfs/dbraw/zinc/21/75/40/532217540.db2.gz BXQCMWUPSMFDNK-UHFFFAOYSA-N 1 0 392.301 1.993 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000274553153 532217832 /nfs/dbraw/zinc/21/78/32/532217832.db2.gz IGFBJCPEGFNSIM-UHFFFAOYSA-N 1 0 396.332 1.324 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 ZINC000274291599 532201680 /nfs/dbraw/zinc/20/16/80/532201680.db2.gz PYSDISBAEOMAOL-UHFFFAOYSA-N 1 0 382.873 1.827 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332640365 532202565 /nfs/dbraw/zinc/20/25/65/532202565.db2.gz VTRJUHUKWQSWHM-GFCCVEGCSA-N 1 0 394.313 1.920 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)[C@H]1c1cccs1 ZINC000333242648 532227066 /nfs/dbraw/zinc/22/70/66/532227066.db2.gz WOUBCGNLPMXXRB-NFAWXSAZSA-N 1 0 386.543 1.203 20 0 GDADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000376730261 532227244 /nfs/dbraw/zinc/22/72/44/532227244.db2.gz SHQUEXNNRWEIMI-CQSZACIVSA-N 1 0 385.917 1.601 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cccc3c2OCCO3)C[C@@H]1[NH+]1CCCC1 ZINC000333239444 532227329 /nfs/dbraw/zinc/22/73/29/532227329.db2.gz WALXIZPNQFNCLY-ZFWWWQNUSA-N 1 0 384.523 1.658 20 0 GDADRO O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333262655 532227448 /nfs/dbraw/zinc/22/74/48/532227448.db2.gz GJFMFTQJONQEOP-XUJVJEKNSA-N 1 0 378.270 1.622 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)ccc1Br ZINC000333315152 532229296 /nfs/dbraw/zinc/22/92/96/532229296.db2.gz SPLJUBJNHZTMOT-UHFFFAOYSA-N 1 0 375.288 1.974 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C[C@H]1[NH3+] ZINC000333307574 532229339 /nfs/dbraw/zinc/22/93/39/532229339.db2.gz LDXFBMSEOHATEQ-ZYHUDNBSSA-N 1 0 384.278 1.492 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@H]2C[NH2+]CCO2)ccc1Cl ZINC000429736447 532232547 /nfs/dbraw/zinc/23/25/47/532232547.db2.gz IDRJOVPVLJFJJD-ZDUSSCGKSA-N 1 0 389.905 1.688 20 0 GDADRO COCC[C@]1(C(=O)N(C)CC(=O)Nc2ccccc2Br)CC[NH2+]C1 ZINC000429743390 532233189 /nfs/dbraw/zinc/23/31/89/532233189.db2.gz MAMSXFKPGYNVFA-QGZVFWFLSA-N 1 0 398.301 1.862 20 0 GDADRO CC(C)[NH+]1CCC(N(C)C(=O)c2c(I)cnn2C)CC1 ZINC000429819131 532234230 /nfs/dbraw/zinc/23/42/30/532234230.db2.gz JUPHEAKLQCWRIA-UHFFFAOYSA-N 1 0 390.269 1.970 20 0 GDADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@H](O)C[C@H]3CO)C2=O)ccc1Br ZINC000274586317 532219293 /nfs/dbraw/zinc/21/92/93/532219293.db2.gz GKACAVLCPPSWQO-LZWOXQAQSA-N 1 0 383.286 1.680 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429024694 532221861 /nfs/dbraw/zinc/22/18/61/532221861.db2.gz HBEQRAORWLUYKY-UHFFFAOYSA-N 1 0 392.257 1.054 20 0 GDADRO O=S(=O)(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CCS(=O)(=O)CC1 ZINC000333177039 532223290 /nfs/dbraw/zinc/22/32/90/532223290.db2.gz RJWKVHFEDPMAQF-HNNXBMFYSA-N 1 0 378.560 1.280 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1F ZINC000376674171 532224149 /nfs/dbraw/zinc/22/41/49/532224149.db2.gz UHMHOQGFHFNQSE-OAHLLOKOSA-N 1 0 390.502 1.382 20 0 GDADRO C[C@@H]1CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[C@@H]1[NH3+] ZINC000429176340 532224385 /nfs/dbraw/zinc/22/43/85/532224385.db2.gz NVLVSLJCJSXOTB-RNCFNFMXSA-N 1 0 380.242 1.241 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC[C@H]1[NH3+] ZINC000429187197 532224635 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CC(C)(C)c1csc(CC[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)n1 ZINC000735652257 598286496 /nfs/dbraw/zinc/28/64/96/598286496.db2.gz FFKYRDKVANMAQZ-UHFFFAOYSA-N 1 0 383.485 1.996 20 0 GDADRO C[C@@H](CNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+]1CCCCC1 ZINC000736017445 598293741 /nfs/dbraw/zinc/29/37/41/598293741.db2.gz NPDYTQMZHVYPDS-INIZCTEOSA-N 1 0 398.515 1.573 20 0 GDADRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736412444 598300493 /nfs/dbraw/zinc/30/04/93/598300493.db2.gz PCZUAEIXFKEDBH-HNNXBMFYSA-N 1 0 399.499 1.824 20 0 GDADRO CCC1CC[NH+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736407428 598334453 /nfs/dbraw/zinc/33/44/53/598334453.db2.gz HEYYCRXGUBNMFX-UHFFFAOYSA-N 1 0 383.456 1.710 20 0 GDADRO O=C1CN(C[N@H+](C2CC2)C2CCCC2)C(=O)N1Cc1ccccc1-c1nn[nH]n1 ZINC000738302246 598334836 /nfs/dbraw/zinc/33/48/36/598334836.db2.gz KCRWSGFFXGLPAZ-UHFFFAOYSA-N 1 0 395.467 1.995 20 0 GDADRO COc1cc2c(nn1)CC[N@H+](CCC(=O)Nc1cccc(-c3nn[nH]n3)c1)C2 ZINC000737056588 598341113 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390.513 1.981 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000737189403 598462359 /nfs/dbraw/zinc/46/23/59/598462359.db2.gz MASICQSZCHNRRU-NSHDSACASA-N 1 0 385.497 1.828 20 0 GDADRO COC1CC[NH+](C(C)(C)CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736960405 598466356 /nfs/dbraw/zinc/46/63/56/598466356.db2.gz FYZBEGZUBQQTBB-HJWRWDBZSA-N 1 0 384.484 1.886 20 0 GDADRO Cn1c(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)nc2ccccc21 ZINC000737593224 598467056 /nfs/dbraw/zinc/46/70/56/598467056.db2.gz RHISLALHPKRRAQ-UHFFFAOYSA-N 1 0 389.467 1.907 20 0 GDADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC000737614840 598493410 /nfs/dbraw/zinc/49/34/10/598493410.db2.gz BDJPWDJXSRGQLB-OAHLLOKOSA-N 1 0 381.362 1.530 20 0 GDADRO O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000738328899 598510691 /nfs/dbraw/zinc/51/06/91/598510691.db2.gz HIRJMXAHYBDDGQ-MRXNPFEDSA-N 1 0 376.486 1.257 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736855958 598516483 /nfs/dbraw/zinc/51/64/83/598516483.db2.gz JMIIZDBJCWTZLI-OAHLLOKOSA-N 1 0 384.488 1.040 20 0 GDADRO COc1cccc([C@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N(C)C)c1 ZINC000737124300 598517747 /nfs/dbraw/zinc/51/77/47/598517747.db2.gz BQGNXYWWBAKUMS-DYVFJYSZSA-N 1 0 397.487 1.006 20 0 GDADRO C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCc2ccccc2C1 ZINC000736026378 598520071 /nfs/dbraw/zinc/52/00/71/598520071.db2.gz SCKJFEFMYHIBSK-CABCVRRESA-N 1 0 393.499 1.141 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1ccnc(OC3CCCC3)c1)C2 ZINC000738410308 598521900 /nfs/dbraw/zinc/52/19/00/598521900.db2.gz JFSMWCJBWMCEME-AWEZNQCLSA-N 1 0 395.471 1.611 20 0 GDADRO CC(C)COc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735845576 598524236 /nfs/dbraw/zinc/52/42/36/598524236.db2.gz YODFDKADQIOJHQ-AWEZNQCLSA-N 1 0 382.472 1.930 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)COCc1ccccc1 ZINC000736026099 598524463 /nfs/dbraw/zinc/52/44/63/598524463.db2.gz PZLGTXSLLGEAQQ-GOEBONIOSA-N 1 0 382.472 1.547 20 0 GDADRO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737875903 598524875 /nfs/dbraw/zinc/52/48/75/598524875.db2.gz GLCZNGNAGDZNAC-GOSISDBHSA-N 1 0 383.500 1.433 20 0 GDADRO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nn[nH]n4)cnn3C1)CCCO2 ZINC000737664917 598525016 /nfs/dbraw/zinc/52/50/16/598525016.db2.gz GMMHTZLBPNAJGT-ABAIWWIYSA-N 1 0 384.419 1.748 20 0 GDADRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736036619 598525417 /nfs/dbraw/zinc/52/54/17/598525417.db2.gz FMPGKMLNORMKGT-WDEREUQCSA-N 1 0 390.398 1.440 20 0 GDADRO CC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nnc2n1CCCCC2 ZINC000736369161 598529199 /nfs/dbraw/zinc/52/91/99/598529199.db2.gz GJYNQXKAPRQFKR-OCCSQVGLSA-N 1 0 397.491 1.164 20 0 GDADRO O=C(CC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1)NCC1CCCCC1 ZINC000737845352 598559067 /nfs/dbraw/zinc/55/90/67/598559067.db2.gz ZNIUOZZXMNLJRT-UHFFFAOYSA-N 1 0 398.515 1.470 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000736565486 598562314 /nfs/dbraw/zinc/56/23/14/598562314.db2.gz KSZNIUKNSHAIKZ-SNVBAGLBSA-N 1 0 381.387 1.931 20 0 GDADRO O=C(CCN1CCC[C@@H]([NH+]2CCCC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737843214 598564210 /nfs/dbraw/zinc/56/42/10/598564210.db2.gz JCHQLMVOLVORAD-CYBMUJFWSA-N 1 0 375.502 1.817 20 0 GDADRO c1csc(CC[NH+]2CCN(c3nc4ccccn4c3-c3nn[nH]n3)CC2)c1 ZINC000738452576 598567405 /nfs/dbraw/zinc/56/74/05/598567405.db2.gz QCHGMOXMBIUAOY-UHFFFAOYSA-N 1 0 380.481 1.941 20 0 GDADRO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738065916 598580122 /nfs/dbraw/zinc/58/01/22/598580122.db2.gz NKMYBYNEBHENMC-SFHVURJKSA-N 1 0 383.500 1.828 20 0 GDADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC000736760903 598595003 /nfs/dbraw/zinc/59/50/03/598595003.db2.gz RLOFJJCXOHMGDI-KRWDZBQOSA-N 1 0 383.500 1.826 20 0 GDADRO CCCCCC[N@H+](C)CC(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000736449424 598624108 /nfs/dbraw/zinc/62/41/08/598624108.db2.gz VJVIEGBGNABNAM-UHFFFAOYSA-N 1 0 386.504 1.422 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCCC[C@H]1C ZINC000736268288 598636741 /nfs/dbraw/zinc/63/67/41/598636741.db2.gz RYVDZGIPCBNURN-VXGBXAGGSA-N 1 0 389.435 1.323 20 0 GDADRO C[C@H](CNC(=O)COc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736014121 598665945 /nfs/dbraw/zinc/66/59/45/598665945.db2.gz KZZSDOUMRXOGDP-OAHLLOKOSA-N 1 0 380.452 1.882 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)CSc2nc(C)c(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736568823 598689714 /nfs/dbraw/zinc/68/97/14/598689714.db2.gz CZHUOHUTOFHZDQ-UHFFFAOYSA-N 1 0 389.529 1.833 20 0 GDADRO C[C@H](O)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736145286 598705735 /nfs/dbraw/zinc/70/57/35/598705735.db2.gz SJFMWIBUDRWDHP-NSHDSACASA-N 1 0 378.864 1.942 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(-c2nn[nH]n2)cc1 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CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821189236 599371119 /nfs/dbraw/zinc/37/11/19/599371119.db2.gz JORRQUOOWYVPET-GFCCVEGCSA-N 1 0 398.920 1.873 20 0 GDADRO COc1ccc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)cc1-c1nn[nH]n1 ZINC000821817883 599397347 /nfs/dbraw/zinc/39/73/47/599397347.db2.gz AHZLJIJYOMKCCP-UHFFFAOYSA-N 1 0 394.479 1.997 20 0 GDADRO COc1ccc(C[NH2+]Cc2ccc(OCCO)c(OC)c2)cc1-c1nn[nH]n1 ZINC000821717569 599408678 /nfs/dbraw/zinc/40/86/78/599408678.db2.gz QSVYBYAPRZTESU-UHFFFAOYSA-N 1 0 385.424 1.545 20 0 GDADRO Cn1cc(C[N@@H+]2CCCN(c3cc(-c4nn[nH]n4)c4ccccc4n3)CC2)cn1 ZINC000737600866 599430856 /nfs/dbraw/zinc/43/08/56/599430856.db2.gz ARMJEOGVXRZIFU-UHFFFAOYSA-N 1 0 389.467 1.861 20 0 GDADRO O=C(N[C@@H]1CCSC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823154889 599467249 /nfs/dbraw/zinc/46/72/49/599467249.db2.gz MBTNGOHXQXVIHO-MRXNPFEDSA-N 1 0 387.513 1.590 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NC[C@H](O)C[NH+]3CCCCC3)c2c1 ZINC000822195156 599474119 /nfs/dbraw/zinc/47/41/19/599474119.db2.gz IXAPBKXVHXEUII-HNNXBMFYSA-N 1 0 381.484 1.712 20 0 GDADRO C[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820340754 599475888 /nfs/dbraw/zinc/47/58/88/599475888.db2.gz NESVDZVRRDTZLW-HNNXBMFYSA-N 1 0 399.499 1.682 20 0 GDADRO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737162670 599484850 /nfs/dbraw/zinc/48/48/50/599484850.db2.gz OOFGCGALYJZBST-UHFFFAOYSA-N 1 0 397.464 1.349 20 0 GDADRO FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000737628016 599485005 /nfs/dbraw/zinc/48/50/05/599485005.db2.gz TXXHIOSTYLFORY-NSHDSACASA-N 1 0 380.378 1.488 20 0 GDADRO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)CC2 ZINC000735942295 599488124 /nfs/dbraw/zinc/48/81/24/599488124.db2.gz HUTBOPONJSDJDS-ZDUSSCGKSA-N 1 0 378.444 1.334 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000819876903 599585713 /nfs/dbraw/zinc/58/57/13/599585713.db2.gz JYIRTVUNAVULBQ-HZPDHXFCSA-N 1 0 399.499 1.380 20 0 GDADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000737739330 599585901 /nfs/dbraw/zinc/58/59/01/599585901.db2.gz KMMKBQYTETVJAQ-QFBILLFUSA-N 1 0 397.527 1.981 20 0 GDADRO CC[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000821169823 599589457 /nfs/dbraw/zinc/58/94/57/599589457.db2.gz FMXNVDBVFHOCJZ-AZUAARDMSA-N 1 0 397.479 1.970 20 0 GDADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736771718 599593819 /nfs/dbraw/zinc/59/38/19/599593819.db2.gz OPJZQKJTLXKLIQ-UHFFFAOYSA-N 1 0 386.481 1.749 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822319165 599596806 /nfs/dbraw/zinc/59/68/06/599596806.db2.gz LFMPMLJTNOMLCZ-AWEZNQCLSA-N 1 0 385.472 1.494 20 0 GDADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)COc1ccccc1-c1nn[nH]n1 ZINC000736771764 599604641 /nfs/dbraw/zinc/60/46/41/599604641.db2.gz QSMRMMCFIJVGBR-UHFFFAOYSA-N 1 0 380.452 1.966 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000821242877 599611487 /nfs/dbraw/zinc/61/14/87/599611487.db2.gz XGQRJSQSXBSUCU-UHFFFAOYSA-N 1 0 389.435 1.183 20 0 GDADRO O=C(CC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964894 599638842 /nfs/dbraw/zinc/63/88/42/599638842.db2.gz SIQNBQBJWNYMAX-GXTWGEPZSA-N 1 0 384.362 1.583 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000821180695 599644552 /nfs/dbraw/zinc/64/45/52/599644552.db2.gz FYJJDNUDDOZSGA-CYBMUJFWSA-N 1 0 377.880 1.875 20 0 GDADRO Fc1cccc(OC(F)F)c1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000822791567 599647440 /nfs/dbraw/zinc/64/74/40/599647440.db2.gz JJSSAEAIUOGFHC-VIFPVBQESA-N 1 0 394.361 1.635 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)CC[N@@H+]1C ZINC000820657462 599676097 /nfs/dbraw/zinc/67/60/97/599676097.db2.gz LIYSEMABIQFLAN-HOCLYGCPSA-N 1 0 399.499 1.902 20 0 GDADRO CC(C)CN(CC[NH+](C)C)C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820087252 599676757 /nfs/dbraw/zinc/67/67/57/599676757.db2.gz OFBASKBKGUNCEN-UHFFFAOYSA-N 1 0 375.477 1.475 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC000737515734 599881345 /nfs/dbraw/zinc/88/13/45/599881345.db2.gz WFYMDRAQOSISOL-INIZCTEOSA-N 1 0 389.500 1.357 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[N@@H+]1CCCN(Cc3ccccc3)CC1)C2 ZINC000823780316 607443858 /nfs/dbraw/zinc/44/38/58/607443858.db2.gz QNONZEXZAGLJFW-QGZVFWFLSA-N 1 0 393.499 1.313 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@@H](N(C)Cc3noc(C)n3)C2)cc1-c1nn[nH]n1 ZINC000821794750 607445021 /nfs/dbraw/zinc/44/50/21/607445021.db2.gz MBDMTJOKZIATAO-CQSZACIVSA-N 1 0 384.444 1.273 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000819867966 607448473 /nfs/dbraw/zinc/44/84/73/607448473.db2.gz VYPFJVGCKGWPDA-WCQYABFASA-N 1 0 375.864 1.627 20 0 GDADRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824377265 607472321 /nfs/dbraw/zinc/47/23/21/607472321.db2.gz AIADPDVOPNYPDG-ZTQAJYAQSA-N 1 0 395.463 1.930 20 0 GDADRO O[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)COc1ccc2c(c1)OCO2 ZINC000823681207 607478195 /nfs/dbraw/zinc/47/81/95/607478195.db2.gz BRIXQZGLOXVDNI-ZDUSSCGKSA-N 1 0 387.371 1.264 20 0 GDADRO C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000827363034 601106003 /nfs/dbraw/zinc/10/60/03/601106003.db2.gz YJIMQHPGAQNBIN-SFHVURJKSA-N 1 0 388.512 1.206 20 0 GDADRO C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000827369346 601124063 /nfs/dbraw/zinc/12/40/63/601124063.db2.gz VQXGJOMLMQQACA-INIZCTEOSA-N 1 0 389.500 1.451 20 0 GDADRO CC(C)n1ccnc1CN1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000824378096 607495848 /nfs/dbraw/zinc/49/58/48/607495848.db2.gz YLQGPPOFVVCDIX-UHFFFAOYSA-N 1 0 381.488 1.747 20 0 GDADRO C[C@@H]1CN(Cc2ccnc(-c3nn[nH]n3)c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000824992560 607495981 /nfs/dbraw/zinc/49/59/81/607495981.db2.gz MPSXRDYSXFDONT-BEFAXECRSA-N 1 0 379.468 1.501 20 0 GDADRO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000825985861 607496497 /nfs/dbraw/zinc/49/64/97/607496497.db2.gz DCEABOXZUZIKHE-HNNXBMFYSA-N 1 0 395.471 1.619 20 0 GDADRO C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000825985989 607497102 /nfs/dbraw/zinc/49/71/02/607497102.db2.gz JUXPSUXBNMXHHW-INIZCTEOSA-N 1 0 385.497 1.829 20 0 GDADRO CC1(OCC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000820628783 607505477 /nfs/dbraw/zinc/50/54/77/607505477.db2.gz NUTCPADOQHKGRR-UHFFFAOYSA-N 1 0 384.484 1.860 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000825451523 607513142 /nfs/dbraw/zinc/51/31/42/607513142.db2.gz JDGHZXTVQQSVDD-MLGOLLRUSA-N 1 0 375.452 1.878 20 0 GDADRO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(-c2nn[nH]n2)c1C ZINC000826349802 607556536 /nfs/dbraw/zinc/55/65/36/607556536.db2.gz VHTFRURIGDZRIK-CHWSQXEVSA-N 1 0 376.486 1.842 20 0 GDADRO COc1ccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1-c1nn[nH]n1 ZINC000826198552 607557508 /nfs/dbraw/zinc/55/75/08/607557508.db2.gz BNVXIFFRESLTQA-UHFFFAOYSA-N 1 0 387.488 1.984 20 0 GDADRO COc1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1-c1nn[nH]n1 ZINC000826200119 607567514 /nfs/dbraw/zinc/56/75/14/607567514.db2.gz ZDRYBKKZRTXUQR-QGZVFWFLSA-N 1 0 391.501 1.112 20 0 GDADRO O=C([O-])N1CCC[C@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000740428232 602599523 /nfs/dbraw/zinc/59/95/23/602599523.db2.gz MVPTXZJHYSTVFX-KRWDZBQOSA-N 1 0 390.488 1.035 20 0 GDADRO CC1CC[NH+](CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)CC1 ZINC000824957139 607588831 /nfs/dbraw/zinc/58/88/31/607588831.db2.gz WLRAMIJTBCHDAI-UHFFFAOYSA-N 1 0 384.893 1.530 20 0 GDADRO Cc1cccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826303228 607591138 /nfs/dbraw/zinc/59/11/38/607591138.db2.gz GEVHQLVULIBZQI-KBPBESRZSA-N 1 0 392.529 1.821 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000825849613 607615353 /nfs/dbraw/zinc/61/53/53/607615353.db2.gz LEVPQNWDEJVCHV-KURKYZTESA-N 1 0 384.484 1.509 20 0 GDADRO COc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1-c1nn[nH]n1 ZINC000826197750 607625830 /nfs/dbraw/zinc/62/58/30/607625830.db2.gz BTYOUVWDTHXBJM-ZBFHGGJFSA-N 1 0 385.472 1.501 20 0 GDADRO Cc1cccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1-c1nn[nH]n1 ZINC000826300706 607650934 /nfs/dbraw/zinc/65/09/34/607650934.db2.gz FEWJRNZPRZTKCK-AWEZNQCLSA-N 1 0 378.502 1.670 20 0 GDADRO [NH3+]CC1(NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCOCC1 ZINC000529320833 649940090 /nfs/dbraw/zinc/94/00/90/649940090.db2.gz GDUQKTFSCSMPTK-CQSZACIVSA-N 1 0 397.317 1.835 20 0 GDADRO O=C([O-])CCC[NH+]1CCC(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000833772990 605219238 /nfs/dbraw/zinc/21/92/38/605219238.db2.gz DXUMEYAPJFIYGD-FQEVSTJZSA-N 1 0 375.513 1.324 20 0 GDADRO O=C([O-])CCC[NH+]1CCC([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000833774060 605226475 /nfs/dbraw/zinc/22/64/75/605226475.db2.gz 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/nfs/dbraw/zinc/79/61/05/607796105.db2.gz SQIKIZWGNMZTDI-UHFFFAOYSA-N 1 0 394.501 1.039 20 0 GDADRO O=C(CC[NH+]1CCC(Cn2ccnn2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407709 607801500 /nfs/dbraw/zinc/80/15/00/607801500.db2.gz XIDZWKNYMMYKPP-UHFFFAOYSA-N 1 0 381.444 1.199 20 0 GDADRO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C1 ZINC000826145606 607858281 /nfs/dbraw/zinc/85/82/81/607858281.db2.gz JSKDFEUVHKOJSK-BRWVUGGUSA-N 1 0 386.456 1.464 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC000825855532 607897230 /nfs/dbraw/zinc/89/72/30/607897230.db2.gz HGTOGSQVBVNETP-UHFFFAOYSA-N 1 0 386.504 1.182 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc([S@@](C)=O)cc1 ZINC000824584621 607910171 /nfs/dbraw/zinc/91/01/71/607910171.db2.gz CTYYCNWZQRFVRR-RPTJNQDTSA-N 1 0 386.485 1.193 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000826175415 607913823 /nfs/dbraw/zinc/91/38/23/607913823.db2.gz DMDZNRYAGIRNCQ-KBPBESRZSA-N 1 0 388.472 1.585 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000530411155 649972694 /nfs/dbraw/zinc/97/26/94/649972694.db2.gz BCISOLRXHKCLGH-LLVKDONJSA-N 1 0 387.889 1.140 20 0 GDADRO CCOC(=O)CC1CC[NH+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)CC1 ZINC000825508350 607920594 /nfs/dbraw/zinc/92/05/94/607920594.db2.gz XLWXZMQZCGOFAW-UHFFFAOYSA-N 1 0 387.440 1.819 20 0 GDADRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825327338 607922461 /nfs/dbraw/zinc/92/24/61/607922461.db2.gz IZAGQFZGQDVUMJ-CQSZACIVSA-N 1 0 386.456 1.392 20 0 GDADRO C[C@@H](CO)CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824432873 607994519 /nfs/dbraw/zinc/99/45/19/607994519.db2.gz AQLHOALODQITBO-OAHLLOKOSA-N 1 0 389.504 1.349 20 0 GDADRO C[N@@H+]1CC[C@@H](NC(=O)COc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccccc1 ZINC000826029779 608007808 /nfs/dbraw/zinc/00/78/08/608007808.db2.gz WKESNKQVTSNNJR-MJGOQNOKSA-N 1 0 378.436 1.807 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCN(C)c3ccccc32)c1-c1nn[nH]n1 ZINC000826077705 608019628 /nfs/dbraw/zinc/01/96/28/608019628.db2.gz RDHNMUIVNCTVHJ-ZDUSSCGKSA-N 1 0 395.471 1.304 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(cccc3F)[nH]2)c1-c1nn[nH]n1 ZINC000826077664 608021129 /nfs/dbraw/zinc/02/11/29/608021129.db2.gz PSBFIVJNNIXGNK-UHFFFAOYSA-N 1 0 383.391 1.615 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sccc2SC)c1-c1nn[nH]n1 ZINC000826083741 608021655 /nfs/dbraw/zinc/02/16/55/608021655.db2.gz PKCHSCRGQFBHGT-UHFFFAOYSA-N 1 0 378.487 1.778 20 0 GDADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2N1CCN(CC[NH+]2CCCC2)CC1 ZINC000826523133 608033357 /nfs/dbraw/zinc/03/33/57/608033357.db2.gz BLKRSLVEQTWXGX-UHFFFAOYSA-N 1 0 378.484 1.633 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000826456147 608033473 /nfs/dbraw/zinc/03/34/73/608033473.db2.gz RYZLXVNQBMLCIJ-INIZCTEOSA-N 1 0 383.456 1.186 20 0 GDADRO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000825722466 608035903 /nfs/dbraw/zinc/03/59/03/608035903.db2.gz HHRWZPJFHPLFJC-GFCCVEGCSA-N 1 0 397.487 1.626 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825412836 608062821 /nfs/dbraw/zinc/06/28/21/608062821.db2.gz VLBGDZVRAGOYRY-YOEHRIQHSA-N 1 0 387.488 1.680 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825460475 608063423 /nfs/dbraw/zinc/06/34/23/608063423.db2.gz YDDUBRLGKVDNRO-ZWKOTPCHSA-N 1 0 399.499 1.824 20 0 GDADRO CS[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1N(C)C ZINC000826227265 608088691 /nfs/dbraw/zinc/08/86/91/608088691.db2.gz ONIRHORJJBENHD-LSDHHAIUSA-N 1 0 375.502 1.173 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)cc1-c1nn[nH]n1 ZINC000826202661 608134475 /nfs/dbraw/zinc/13/44/75/608134475.db2.gz HSSYOJLAVPTHHW-KRWDZBQOSA-N 1 0 393.451 1.551 20 0 GDADRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3cc(-c4nn[nH]n4)cs3)C2)nc1 ZINC000825560573 608134505 /nfs/dbraw/zinc/13/45/05/608134505.db2.gz RXAKUCVWMKPAJA-UHFFFAOYSA-N 1 0 385.453 1.478 20 0 GDADRO Cc1c(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)cccc1-c1nn[nH]n1 ZINC000826241119 608146169 /nfs/dbraw/zinc/14/61/69/608146169.db2.gz RVYYOKPIOYURFE-ZDUSSCGKSA-N 1 0 385.472 1.494 20 0 GDADRO C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[nH]n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824991514 608150896 /nfs/dbraw/zinc/15/08/96/608150896.db2.gz BUUVQTLYVGVLOA-RHSMWYFYSA-N 1 0 393.499 1.272 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H](O)c1ccccc1 ZINC000736767835 608192765 /nfs/dbraw/zinc/19/27/65/608192765.db2.gz SMGRKXTVRVOTHR-SFHVURJKSA-N 1 0 380.452 1.491 20 0 GDADRO Cc1cc(C[NH+](C)C)cc(NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826266203 608206647 /nfs/dbraw/zinc/20/66/47/608206647.db2.gz GQBJXCQEDAYAFJ-UHFFFAOYSA-N 1 0 393.451 1.605 20 0 GDADRO C[C@@H]1[C@H](C)N(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC[N@H+]1C ZINC000824859495 608210043 /nfs/dbraw/zinc/21/00/43/608210043.db2.gz PMOUYCHHQGLGEV-NEPJUHHUSA-N 1 0 389.529 1.770 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cn1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000826413412 608219239 /nfs/dbraw/zinc/21/92/39/608219239.db2.gz DPPVFWUPMQVJNH-UHFFFAOYSA-N 1 0 392.467 1.238 20 0 GDADRO COC[C@H](O)CC[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826152108 608242816 /nfs/dbraw/zinc/24/28/16/608242816.db2.gz RCTKOHFAIMFXMF-GOSISDBHSA-N 1 0 383.452 1.933 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000826176595 608254153 /nfs/dbraw/zinc/25/41/53/608254153.db2.gz VUEDOEZBYOEBSN-HXUWFJFHSA-N 1 0 381.436 1.678 20 0 GDADRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C[C@H]1C ZINC000825445243 608255638 /nfs/dbraw/zinc/25/56/38/608255638.db2.gz YJDKZYSUUXVQPV-VXGBXAGGSA-N 1 0 377.880 1.873 20 0 GDADRO C[C@@H](CCO)[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000824405948 608267770 /nfs/dbraw/zinc/26/77/70/608267770.db2.gz BVMTYZYSQIPLNB-INIZCTEOSA-N 1 0 394.479 1.756 20 0 GDADRO CCCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000825357086 608269065 /nfs/dbraw/zinc/26/90/65/608269065.db2.gz XQWZWQCBVVIOQV-UHFFFAOYSA-N 1 0 395.471 1.216 20 0 GDADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1-c1nn[nH]n1 ZINC000826332584 608315668 /nfs/dbraw/zinc/31/56/68/608315668.db2.gz YLONPOBYACMYHA-CQSZACIVSA-N 1 0 380.456 1.448 20 0 GDADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@@H+]1C ZINC000824885327 608334517 /nfs/dbraw/zinc/33/45/17/608334517.db2.gz RWDYGRWUJATYNP-FZMZJTMJSA-N 1 0 382.465 1.250 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000826168918 608375765 /nfs/dbraw/zinc/37/57/65/608375765.db2.gz CFAMDLDENXXPGX-DLBZAZTESA-N 1 0 383.456 1.697 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000825219536 608407630 /nfs/dbraw/zinc/40/76/30/608407630.db2.gz KHDLMRMSTNHSMQ-STQMWFEESA-N 1 0 375.502 1.815 20 0 GDADRO O=S(=O)(CC[NH2+][C@H](CCO)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826484473 608432807 /nfs/dbraw/zinc/43/28/07/608432807.db2.gz FBNDRWBUPWLGHF-QGZVFWFLSA-N 1 0 387.465 1.354 20 0 GDADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824005436 608433014 /nfs/dbraw/zinc/43/30/14/608433014.db2.gz SBEPDXMUZNHJDF-ZDUSSCGKSA-N 1 0 393.451 1.792 20 0 GDADRO CC[C@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccccc1OCC(=O)N(C)C ZINC000825149388 608456878 /nfs/dbraw/zinc/45/68/78/608456878.db2.gz XUSGXZXPGJPVPQ-INIZCTEOSA-N 1 0 395.467 1.970 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562636 608460847 /nfs/dbraw/zinc/46/08/47/608460847.db2.gz HTLSLCPOKBRVCK-LBPRGKRZSA-N 1 0 380.408 1.562 20 0 GDADRO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826504409 608464810 /nfs/dbraw/zinc/46/48/10/608464810.db2.gz VLGVGRIVOLSKBM-OALUTQOASA-N 1 0 385.468 1.512 20 0 GDADRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824600014 608466512 /nfs/dbraw/zinc/46/65/12/608466512.db2.gz VXEKWWBVPCVEQE-ZDUSSCGKSA-N 1 0 387.465 2.000 20 0 GDADRO Cc1cnccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826319415 608475819 /nfs/dbraw/zinc/47/58/19/608475819.db2.gz BQALLTOYXBFTLD-UHFFFAOYSA-N 1 0 380.456 1.588 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C[C@@H]1[NH+](C)C ZINC000826227024 608491570 /nfs/dbraw/zinc/49/15/70/608491570.db2.gz KFSFJLLUPTZFFW-STQMWFEESA-N 1 0 392.533 1.933 20 0 GDADRO CCN(CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)S(C)(=O)=O ZINC000825419475 608501510 /nfs/dbraw/zinc/50/15/10/608501510.db2.gz QFECVOAUVBFWAF-INIZCTEOSA-N 1 0 378.502 1.505 20 0 GDADRO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826091156 608504028 /nfs/dbraw/zinc/50/40/28/608504028.db2.gz XCAHQEGQHYILHC-SFHVURJKSA-N 1 0 398.492 1.942 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826223355 608505759 /nfs/dbraw/zinc/50/57/59/608505759.db2.gz KEXAGWGUGIWTQZ-GOEBONIOSA-N 1 0 376.486 1.258 20 0 GDADRO CC(=O)Nc1ccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1 ZINC000823999929 608509915 /nfs/dbraw/zinc/50/99/15/608509915.db2.gz NJBOQLVLTCPAKA-UHFFFAOYSA-N 1 0 378.440 1.542 20 0 GDADRO c1ncn(-c2ccc(C[NH+]3CCN(c4ccccc4-c4nn[nH]n4)CC3)cc2)n1 ZINC000826522142 608516053 /nfs/dbraw/zinc/51/60/53/608516053.db2.gz NQKPQVWPFKYKPN-UHFFFAOYSA-N 1 0 387.451 1.770 20 0 GDADRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000825406882 608519153 /nfs/dbraw/zinc/51/91/53/608519153.db2.gz SMUBNFIQBXVNHQ-UHFFFAOYSA-N 1 0 377.518 1.304 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000826412296 608528099 /nfs/dbraw/zinc/52/80/99/608528099.db2.gz JEWVHOWHRNZXNA-SJORKVTESA-N 1 0 382.468 1.615 20 0 GDADRO COC(=O)C1(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CCCCC1 ZINC000826123249 608529238 /nfs/dbraw/zinc/52/92/38/608529238.db2.gz AGJPNNAHEBVIEZ-UHFFFAOYSA-N 1 0 398.467 1.438 20 0 GDADRO OCCC[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826508883 608537361 /nfs/dbraw/zinc/53/73/61/608537361.db2.gz 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COc1ccc(OCC[NH+]2CCN(c3cnccc3-c3nn[nH]n3)CC2)cc1 ZINC000826211908 608769324 /nfs/dbraw/zinc/76/93/24/608769324.db2.gz ZTKSKIYGVJYCCR-UHFFFAOYSA-N 1 0 381.440 1.471 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825849770 608846390 /nfs/dbraw/zinc/84/63/90/608846390.db2.gz MNXVHDNSUCONMU-PVAVHDDUSA-N 1 0 382.472 1.198 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000826518773 608858874 /nfs/dbraw/zinc/85/88/74/608858874.db2.gz XFQGXUGKMMMJLK-CYBMUJFWSA-N 1 0 390.455 1.890 20 0 GDADRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824578493 609136894 /nfs/dbraw/zinc/13/68/94/609136894.db2.gz UNBCPERQAXYCNB-FZKQIMNGSA-N 1 0 392.504 1.864 20 0 GDADRO Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258940 609141350 /nfs/dbraw/zinc/14/13/50/609141350.db2.gz BQIYPBNSCUPNMP-UHFFFAOYSA-N 1 0 394.483 1.963 20 0 GDADRO O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826397364 609141753 /nfs/dbraw/zinc/14/17/53/609141753.db2.gz BKQFKKNFSVHXSP-KZNAEPCWSA-N 1 0 382.468 1.326 20 0 GDADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824976063 609168974 /nfs/dbraw/zinc/16/89/74/609168974.db2.gz MMHSMXIVTXCTQS-FSPWUOQZSA-N 1 0 381.484 1.434 20 0 GDADRO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825860313 609178462 /nfs/dbraw/zinc/17/84/62/609178462.db2.gz PPXNWZXAPASNNO-MRXNPFEDSA-N 1 0 385.472 1.210 20 0 GDADRO CN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000825825466 609206786 /nfs/dbraw/zinc/20/67/86/609206786.db2.gz CZSNGLIEQDVMFJ-UHFFFAOYSA-N 1 0 380.456 1.369 20 0 GDADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826298506 609222692 /nfs/dbraw/zinc/22/26/92/609222692.db2.gz WHJXUSKSJAWMLL-LJQANCHMSA-N 1 0 394.479 1.799 20 0 GDADRO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)n(C)n1 ZINC000826269376 609241073 /nfs/dbraw/zinc/24/10/73/609241073.db2.gz JRJOFHPUZMNGLX-MLGOLLRUSA-N 1 0 398.446 1.894 20 0 GDADRO O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826397567 609252614 /nfs/dbraw/zinc/25/26/14/609252614.db2.gz GSILJEFKDLJNEQ-KBAYOESNSA-N 1 0 382.468 1.375 20 0 GDADRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826160566 609253550 /nfs/dbraw/zinc/25/35/50/609253550.db2.gz XEMVXLGEAPTQJD-WBMJQRKESA-N 1 0 378.452 1.834 20 0 GDADRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826160565 609253565 /nfs/dbraw/zinc/25/35/65/609253565.db2.gz XEMVXLGEAPTQJD-LRDDRELGSA-N 1 0 378.452 1.834 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000826504361 609282670 /nfs/dbraw/zinc/28/26/70/609282670.db2.gz UPBDTSHVHZYOMM-PXNSSMCTSA-N 1 0 399.426 1.339 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000824985042 609286900 /nfs/dbraw/zinc/28/69/00/609286900.db2.gz QNVINRBNBHQZDM-TXEJJXNPSA-N 1 0 378.864 1.749 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000826158313 609316255 /nfs/dbraw/zinc/31/62/55/609316255.db2.gz KCINOJHHCQPBMT-OAHLLOKOSA-N 1 0 399.499 1.675 20 0 GDADRO C[C@H](NC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)C1=CC[N@H+](C)CC1 ZINC000824487823 609316340 /nfs/dbraw/zinc/31/63/40/609316340.db2.gz CQARCGAWBNANSJ-KBXCAEBGSA-N 1 0 397.483 1.600 20 0 GDADRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000825327503 609326557 /nfs/dbraw/zinc/32/65/57/609326557.db2.gz LIFNDJDWQOQIFT-ZDUSSCGKSA-N 1 0 389.479 1.647 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000825663808 609326685 /nfs/dbraw/zinc/32/66/85/609326685.db2.gz WSGYMBQPMJEYEF-LLVKDONJSA-N 1 0 382.465 1.471 20 0 GDADRO CC[C@@H]1C[C@H](CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)CCO1 ZINC000825183718 609435071 /nfs/dbraw/zinc/43/50/71/609435071.db2.gz PGVJCGABKQPFDI-VXGBXAGGSA-N 1 0 376.465 1.276 20 0 GDADRO CC(C)[C@@H](CO)[NH2+]CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000824337609 609438314 /nfs/dbraw/zinc/43/83/14/609438314.db2.gz CXALSZVHSFYJRE-GFCCVEGCSA-N 1 0 378.502 1.742 20 0 GDADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000826430123 609498069 /nfs/dbraw/zinc/49/80/69/609498069.db2.gz URHMYKNJTUGQDG-BHYGNILZSA-N 1 0 377.452 1.835 20 0 GDADRO NC(=O)[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389373 609509036 /nfs/dbraw/zinc/50/90/36/609509036.db2.gz WIXULVGWUZCQCI-HNNXBMFYSA-N 1 0 376.342 1.643 20 0 GDADRO Cc1ccnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1-c1nn[nH]n1 ZINC000826310521 609535464 /nfs/dbraw/zinc/53/54/64/609535464.db2.gz YJEZWOYYGCMZID-UHFFFAOYSA-N 1 0 398.515 1.389 20 0 GDADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC1 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COc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3nnc(C)s3)CC2)cc1 ZINC000543739785 650429716 /nfs/dbraw/zinc/42/97/16/650429716.db2.gz RDPUQSNVVNUVJF-UHFFFAOYSA-N 1 0 382.511 1.798 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)Cn2cc(Br)cn2)CC1 ZINC000544602756 650441787 /nfs/dbraw/zinc/44/17/87/650441787.db2.gz CHSRTOUZWKGMPL-LBPRGKRZSA-N 1 0 393.351 1.685 20 0 GDADRO O=S(=O)(CC[NH+]1CCCC1)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000544612822 650441915 /nfs/dbraw/zinc/44/19/15/650441915.db2.gz WVRGECLPQPKCIV-UHFFFAOYSA-N 1 0 387.933 1.692 20 0 GDADRO COCCC[NH+]1CCC(Nc2ncc(I)cn2)CC1 ZINC000545207744 650451860 /nfs/dbraw/zinc/45/18/60/650451860.db2.gz RXHQIZBCJHBWHW-UHFFFAOYSA-N 1 0 376.242 1.994 20 0 GDADRO Cc1c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000545863333 650462851 /nfs/dbraw/zinc/46/28/51/650462851.db2.gz FXILWYXADMYCMP-MRXNPFEDSA-N 1 0 394.273 1.135 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNc2ncc(I)cn2)CC1 ZINC000545916435 650466072 /nfs/dbraw/zinc/46/60/72/650466072.db2.gz IEIGOBZRDLXUEZ-LBPRGKRZSA-N 1 0 376.242 1.586 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Br)o1 ZINC000546778919 650485914 /nfs/dbraw/zinc/48/59/14/650485914.db2.gz QRPHSGDKFCSADO-UTUOFQBUSA-N 1 0 393.303 1.914 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Br)o1 ZINC000546778917 650485925 /nfs/dbraw/zinc/48/59/25/650485925.db2.gz QRPHSGDKFCSADO-GRYCIOLGSA-N 1 0 393.303 1.914 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000547292431 650494268 /nfs/dbraw/zinc/49/42/68/650494268.db2.gz KLLKXTNRWHYUEA-IAGOWNOFSA-N 1 0 381.885 1.452 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000547292433 650494321 /nfs/dbraw/zinc/49/43/21/650494321.db2.gz KLLKXTNRWHYUEA-SJORKVTESA-N 1 0 381.885 1.452 20 0 GDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CC2CCSCC2)c1 ZINC000547320033 650495022 /nfs/dbraw/zinc/49/50/22/650495022.db2.gz BCMFDVHMEXBXHN-UHFFFAOYSA-N 1 0 385.555 1.998 20 0 GDADRO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000547364715 650496528 /nfs/dbraw/zinc/49/65/28/650496528.db2.gz ITKVGIITZHIOJV-BPLDGKMQSA-N 1 0 392.974 1.810 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]C[C@H](O)[C@H]2CCOC2)c2cc(Br)ccc21 ZINC000548153937 650532785 /nfs/dbraw/zinc/53/27/85/650532785.db2.gz NFMOEOUMGKTTNS-BPNCWPANSA-N 1 0 390.299 1.655 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H](O)[C@H]2CCOC2)c2cc(Br)ccc21 ZINC000548153939 650532890 /nfs/dbraw/zinc/53/28/90/650532890.db2.gz NFMOEOUMGKTTNS-LEWSCRJBSA-N 1 0 390.299 1.655 20 0 GDADRO NC(=O)c1ncc(Br)cc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548758564 650562515 /nfs/dbraw/zinc/56/25/15/650562515.db2.gz SVGPOBDWBCUXSI-LBPRGKRZSA-N 1 0 383.290 1.492 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000549909244 650585329 /nfs/dbraw/zinc/58/53/29/650585329.db2.gz WABIHAJKCIOZOE-UHFFFAOYSA-N 1 0 376.284 1.646 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc(F)c2Br)C1 ZINC000550471057 650593344 /nfs/dbraw/zinc/59/33/44/650593344.db2.gz AZOZJRSNJGMSQV-LLVKDONJSA-N 1 0 386.265 1.905 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000550435925 650592929 /nfs/dbraw/zinc/59/29/29/650592929.db2.gz WHVDKFXHLLEKIN-HNNXBMFYSA-N 1 0 375.560 1.383 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000550634000 650595541 /nfs/dbraw/zinc/59/55/41/650595541.db2.gz GURRDMIMAQPNLX-SECBINFHSA-N 1 0 376.404 1.787 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]CCn1cc(Br)cn1 ZINC000551198700 650600786 /nfs/dbraw/zinc/60/07/86/650600786.db2.gz ODODARGSJBQOAK-HNNXBMFYSA-N 1 0 399.314 1.960 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000551706212 650611511 /nfs/dbraw/zinc/61/15/11/650611511.db2.gz RWGCSTLDVZCJSH-UHFFFAOYSA-N 1 0 377.819 1.950 20 0 GDADRO COc1cc([C@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)ccc1S(C)(=O)=O ZINC000552099652 650619562 /nfs/dbraw/zinc/61/95/62/650619562.db2.gz PYZRIHHGHRPZEM-NWDGAFQWSA-N 1 0 375.512 1.715 20 0 GDADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000555331762 650689135 /nfs/dbraw/zinc/68/91/35/650689135.db2.gz RXAWQIKTZQFXGB-UHFFFAOYSA-N 1 0 378.491 1.239 20 0 GDADRO Cc1ccc(NC(=O)[C@@H]2CSCN2S(=O)(=O)CC[NH+]2CCCC2)cc1 ZINC000555354390 650689912 /nfs/dbraw/zinc/68/99/12/650689912.db2.gz MZUWKWSBOJWUHT-INIZCTEOSA-N 1 0 383.539 1.734 20 0 GDADRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000555832294 650696307 /nfs/dbraw/zinc/69/63/07/650696307.db2.gz LSXBOGUIXLZFGC-CYBMUJFWSA-N 1 0 395.301 1.610 20 0 GDADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000556244198 650701012 /nfs/dbraw/zinc/70/10/12/650701012.db2.gz ZLLXZXPLCRJESI-CABCVRRESA-N 1 0 380.576 1.525 20 0 GDADRO CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000556501418 650706904 /nfs/dbraw/zinc/70/69/04/650706904.db2.gz BAOITDCMJIGDOM-QGZVFWFLSA-N 1 0 382.507 1.978 20 0 GDADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)N(C)[C@H](C)C2CC2)CC1 ZINC000556824834 650712540 /nfs/dbraw/zinc/71/25/40/650712540.db2.gz NGAHKXMAARRZGU-OAHLLOKOSA-N 1 0 377.551 1.021 20 0 GDADRO Cc1sc(Br)c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1C ZINC000556905413 650714816 /nfs/dbraw/zinc/71/48/16/650714816.db2.gz QOXSCKRHKTUPRS-VIFPVBQESA-N 1 0 376.320 1.924 20 0 GDADRO C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@H](C)S1(=O)=O ZINC000557229955 650721463 /nfs/dbraw/zinc/72/14/63/650721463.db2.gz GUBYSEPBBVDXJD-WUHRBBMRSA-N 1 0 384.464 1.929 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000557357068 650723571 /nfs/dbraw/zinc/72/35/71/650723571.db2.gz RKRGMSCCPMTWAB-DGCLKSJQSA-N 1 0 398.301 1.673 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c1OC ZINC000557386344 650724325 /nfs/dbraw/zinc/72/43/25/650724325.db2.gz ADTXXFMSEWOSGR-LLVKDONJSA-N 1 0 389.905 1.328 20 0 GDADRO O=C(CC[C@H]1CC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000563622142 650737319 /nfs/dbraw/zinc/73/73/19/650737319.db2.gz BEJMZTRUPOYSJZ-BLLLJJGKSA-N 1 0 380.286 1.838 20 0 GDADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([NH2+][C@H]2CCOC2)C1 ZINC000563761834 650739268 /nfs/dbraw/zinc/73/92/68/650739268.db2.gz LHFGDTBGOQTLSL-KBPBESRZSA-N 1 0 389.315 1.981 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)Cc2cccc(Br)c2)CCC[NH2+]1 ZINC000564453306 650758362 /nfs/dbraw/zinc/75/83/62/650758362.db2.gz MPTHGBQYHWRKRN-AWEZNQCLSA-N 1 0 377.304 1.637 20 0 GDADRO O=C(CNS(=O)(=O)c1cc(F)ccc1F)NCC[NH+]1CCCCCC1 ZINC000564700349 650764771 /nfs/dbraw/zinc/76/47/71/650764771.db2.gz ZVQKBHGDXWYXMH-UHFFFAOYSA-N 1 0 375.441 1.235 20 0 GDADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000564714441 650765388 /nfs/dbraw/zinc/76/53/88/650765388.db2.gz QRXIMBWLSCKMQC-UHFFFAOYSA-N 1 0 392.257 1.949 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1CCSC1 ZINC000564723694 650765504 /nfs/dbraw/zinc/76/55/04/650765504.db2.gz OZTMHMHFZVRPOW-ZDUSSCGKSA-N 1 0 392.568 1.053 20 0 GDADRO C[NH2+]CCSCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000564655073 650763905 /nfs/dbraw/zinc/76/39/05/650763905.db2.gz MTNHGRDIVORUNA-UHFFFAOYSA-N 1 0 397.975 1.187 20 0 GDADRO CN1CC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1=O ZINC000564856886 650770180 /nfs/dbraw/zinc/77/01/80/650770180.db2.gz WQFKWAUPHMYUKV-LBPRGKRZSA-N 1 0 389.315 1.681 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000564957461 650774533 /nfs/dbraw/zinc/77/45/33/650774533.db2.gz QBDMACSVWHDSNG-LLVKDONJSA-N 1 0 377.304 1.855 20 0 GDADRO Cc1c(C(=O)N2CCN(C)C[C@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000564943883 650773942 /nfs/dbraw/zinc/77/39/42/650773942.db2.gz ATIIAPZXLBIARQ-CQSZACIVSA-N 1 0 393.289 1.053 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC(C[NH3+])CC2)c1OC ZINC000564798530 650767942 /nfs/dbraw/zinc/76/79/42/650767942.db2.gz VSAXSEGHMVLTDB-UHFFFAOYSA-N 1 0 376.862 1.495 20 0 GDADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000564989418 650775383 /nfs/dbraw/zinc/77/53/83/650775383.db2.gz YWZNXTCVZLQAJU-UKRRQHHQSA-N 1 0 382.302 1.663 20 0 GDADRO CS(=O)(=O)C1(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC[NH2+]CC1 ZINC000564992732 650775835 /nfs/dbraw/zinc/77/58/35/650775835.db2.gz IXVVWGLNQFVOLV-GFCCVEGCSA-N 1 0 382.448 1.734 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000564994868 650776074 /nfs/dbraw/zinc/77/60/74/650776074.db2.gz MPBNKKGSYOWRDF-SNVBAGLBSA-N 1 0 399.822 1.587 20 0 GDADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C(F)F ZINC000564995119 650776173 /nfs/dbraw/zinc/77/61/73/650776173.db2.gz HWVBUKUIPLCSGN-RWMBFGLXSA-N 1 0 375.416 1.067 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000565157283 650783135 /nfs/dbraw/zinc/78/31/35/650783135.db2.gz NUWXIUJUKCTJCX-KWQFWETISA-N 1 0 376.276 1.048 20 0 GDADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N(CCC(F)(F)F)C[C@H](O)CO ZINC000565189519 650783685 /nfs/dbraw/zinc/78/36/85/650783685.db2.gz QHQJFUUORMWJSB-KBPBESRZSA-N 1 0 384.464 1.338 20 0 GDADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)CCC(=O)N1C ZINC000565357734 650793126 /nfs/dbraw/zinc/79/31/26/650793126.db2.gz UFZZLUXURLOKDO-MLGOLLRUSA-N 1 0 382.511 1.337 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CNC(=O)C1CC1 ZINC000565478640 650798640 /nfs/dbraw/zinc/79/86/40/650798640.db2.gz BEAWAMWMWJOQOA-UHFFFAOYSA-N 1 0 397.317 1.912 20 0 GDADRO CC[NH+]1C[C@@H](C)N(C(=O)CSCc2cc(=O)n3ccsc3n2)[C@H](C)C1 ZINC000565505923 650800205 /nfs/dbraw/zinc/80/02/05/650800205.db2.gz QGNWBBOBYGCCDJ-CHWSQXEVSA-N 1 0 380.539 1.930 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COCc2cccs2)s1 ZINC000565535526 650801591 /nfs/dbraw/zinc/80/15/91/650801591.db2.gz URSKMCGSGZYXFS-LLVKDONJSA-N 1 0 376.525 1.385 20 0 GDADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(Br)cc1 ZINC000565579686 650803821 /nfs/dbraw/zinc/80/38/21/650803821.db2.gz VTUWBDMFLNFTAU-KBMXLJTQSA-N 1 0 380.286 1.837 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000565599481 650805080 /nfs/dbraw/zinc/80/50/80/650805080.db2.gz LEDJESDTEROPOF-VIFPVBQESA-N 1 0 399.822 1.457 20 0 GDADRO CN(CCNC(=O)NCC1([NH3+])CCCCCC1)S(=O)(=O)c1cccs1 ZINC000565765402 650812525 /nfs/dbraw/zinc/81/25/25/650812525.db2.gz INAMKAHYWQQOTR-UHFFFAOYSA-N 1 0 388.559 1.720 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)N2CCc3sc(Cl)cc3C2)CC1 ZINC000565840016 650816957 /nfs/dbraw/zinc/81/69/57/650816957.db2.gz JGFWHYHUDYMLNS-UHFFFAOYSA-N 1 0 385.917 1.513 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000565999783 650825268 /nfs/dbraw/zinc/82/52/68/650825268.db2.gz GIMCFXDVVRFVBG-WCQYABFASA-N 1 0 385.306 1.803 20 0 GDADRO CCC[C@H](C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)OC ZINC000566120322 650828492 /nfs/dbraw/zinc/82/84/92/650828492.db2.gz MZYAHHWTRHWODH-CQSZACIVSA-N 1 0 392.543 1.115 20 0 GDADRO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000566213738 650835287 /nfs/dbraw/zinc/83/52/87/650835287.db2.gz CXAJHIHJSFPKQT-ZDUSSCGKSA-N 1 0 377.457 1.784 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000566411342 650844720 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388.559 1.070 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000368184867 645610841 /nfs/dbraw/zinc/61/08/41/645610841.db2.gz OTAXLTJLYGTVSQ-MRXNPFEDSA-N 1 0 386.539 1.241 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000368570413 645619795 /nfs/dbraw/zinc/61/97/95/645619795.db2.gz UEKJVEACZHEMFY-XOKHGSTOSA-N 1 0 390.933 1.792 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000368568698 645619849 /nfs/dbraw/zinc/61/98/49/645619849.db2.gz HBFSOVRNXSQZAP-HUUCEWRRSA-N 1 0 380.432 1.622 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000368570596 645620041 /nfs/dbraw/zinc/62/00/41/645620041.db2.gz XACDDCDZFTUYJF-HUUCEWRRSA-N 1 0 376.906 1.231 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000368877153 645631568 /nfs/dbraw/zinc/63/15/68/645631568.db2.gz UIUAZXFUMJIKDK-UHFFFAOYSA-N 1 0 375.535 1.601 20 0 GDADRO 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Cc1cc(I)cc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000570682311 651050623 /nfs/dbraw/zinc/05/06/23/651050623.db2.gz ARMYREVYUOWBID-NXEZZACHSA-N 1 0 389.237 1.780 20 0 GDADRO CC[NH+]1CCN(CC(=O)NCc2nc3ccc(Br)cc3o2)CC1 ZINC000570711834 651052073 /nfs/dbraw/zinc/05/20/73/651052073.db2.gz JGJFAPZOAWOFGF-UHFFFAOYSA-N 1 0 381.274 1.844 20 0 GDADRO CC(CO)(CO)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000570720366 651052385 /nfs/dbraw/zinc/05/23/85/651052385.db2.gz DIEICYMQVBZLRT-LLVKDONJSA-N 1 0 382.682 1.423 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000570782391 651054856 /nfs/dbraw/zinc/05/48/56/651054856.db2.gz KEHRHRYDMOJRHH-GFCCVEGCSA-N 1 0 392.543 1.353 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000415423821 645894612 /nfs/dbraw/zinc/89/46/12/645894612.db2.gz ZMLYJQKHXDONRA-ZETCQYMHSA-N 1 0 390.209 1.119 20 0 GDADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415507373 645894903 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CC[NH+](CC)CCN(C(=O)c1scnc1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000503504092 648189139 /nfs/dbraw/zinc/18/91/39/648189139.db2.gz QFVLHZBDAAEUCA-AWEZNQCLSA-N 1 0 385.555 1.992 20 0 GDADRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000507223023 648238731 /nfs/dbraw/zinc/23/87/31/648238731.db2.gz XQTIDSJTOJUXHQ-AUTRQRHGSA-N 1 0 375.416 1.888 20 0 GDADRO NC(=O)c1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000509399796 648285001 /nfs/dbraw/zinc/28/50/01/648285001.db2.gz JJGQGLMIIJDZMI-UHFFFAOYSA-N 1 0 385.848 1.646 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000510725678 648339336 /nfs/dbraw/zinc/33/93/36/648339336.db2.gz MQOQDCOMDCMBTG-AWEZNQCLSA-N 1 0 378.217 1.593 20 0 GDADRO CC(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000510760386 648340431 /nfs/dbraw/zinc/34/04/31/648340431.db2.gz BRFLLTMDRLWHPE-DLBZAZTESA-N 1 0 388.555 1.819 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000510776275 648341657 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O=C(C(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000513123444 648421937 /nfs/dbraw/zinc/42/19/37/648421937.db2.gz LHAQXFNQQDULHA-UHFFFAOYSA-N 1 0 394.313 1.872 20 0 GDADRO C[C@H]1C[C@@H](NS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000513353622 648430224 /nfs/dbraw/zinc/43/02/24/648430224.db2.gz WPLWDJZCWWIBMW-WFASDCNBSA-N 1 0 385.917 1.567 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000514855642 648469264 /nfs/dbraw/zinc/46/92/64/648469264.db2.gz YIFXMYFGEROFBH-HNNXBMFYSA-N 1 0 389.315 1.972 20 0 GDADRO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000514926013 648472155 /nfs/dbraw/zinc/47/21/55/648472155.db2.gz MFBRYOSBHQTXOP-ZDUSSCGKSA-N 1 0 375.897 1.785 20 0 GDADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCCO[C@H](C[NH3+])C3)cs2)cc1 ZINC000514941288 648473125 /nfs/dbraw/zinc/47/31/25/648473125.db2.gz BRYQMYPFLDPOPU-OAHLLOKOSA-N 1 0 381.523 1.763 20 0 GDADRO CSC1(CNC(=O)Cc2csc(N3CCOCC3)n2)CC[NH+](C)CC1 ZINC000515197086 648484796 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1.416 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000517237345 648561240 /nfs/dbraw/zinc/56/12/40/648561240.db2.gz XBZRFHKNAOCBQY-ZDUSSCGKSA-N 1 0 394.324 1.776 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000517261604 648562561 /nfs/dbraw/zinc/56/25/61/648562561.db2.gz VZKRGYIRCPMAMX-UHFFFAOYSA-N 1 0 399.289 1.080 20 0 GDADRO COC(=O)c1cc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1Br ZINC000517330436 648564281 /nfs/dbraw/zinc/56/42/81/648564281.db2.gz JCCJCQGVSRWMGK-NSHDSACASA-N 1 0 385.262 1.342 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000517742670 648576102 /nfs/dbraw/zinc/57/61/02/648576102.db2.gz UXJISUDCYJPFAG-UHFFFAOYSA-N 1 0 387.571 1.970 20 0 GDADRO CSC1(C[NH2+]CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000517925841 648582002 /nfs/dbraw/zinc/58/20/02/648582002.db2.gz JOQDMFJINVYBQY-UHFFFAOYSA-N 1 0 392.568 1.196 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCCN1c1nccs1 ZINC000518168102 648588641 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COCCN1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1=O ZINC000519711398 648636628 /nfs/dbraw/zinc/63/66/28/648636628.db2.gz JKNQJWOQYDFPOK-QGZVFWFLSA-N 1 0 398.301 1.330 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000519784367 648638910 /nfs/dbraw/zinc/63/89/10/648638910.db2.gz XRYHMKQKTVSPHJ-STQMWFEESA-N 1 0 387.933 1.983 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000520823635 648651287 /nfs/dbraw/zinc/65/12/87/648651287.db2.gz DYKPZJXBWAFHPB-HUUCEWRRSA-N 1 0 385.555 1.668 20 0 GDADRO COc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1Br ZINC000528058328 648710469 /nfs/dbraw/zinc/71/04/69/648710469.db2.gz XFZXBTJSOWQAGB-UHFFFAOYSA-N 1 0 379.276 1.244 20 0 GDADRO C[C@]1(CO)C[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@]1(C)CO ZINC000528754066 648728122 /nfs/dbraw/zinc/72/81/22/648728122.db2.gz VSXYZQOIUVXHAS-CALCHBBNSA-N 1 0 396.285 1.270 20 0 GDADRO C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000528818610 648729546 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C[C@H](O)CCC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602953990 652661054 /nfs/dbraw/zinc/66/10/54/652661054.db2.gz FUWMANGTSQWORX-NSHDSACASA-N 1 0 376.242 1.364 20 0 GDADRO Cn1cc(I)c(C(=O)NCC2(C)CC[NH+](C)CC2)n1 ZINC000602998627 652667544 /nfs/dbraw/zinc/66/75/44/652667544.db2.gz DSVHEINHXFHYKE-UHFFFAOYSA-N 1 0 376.242 1.486 20 0 GDADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1nn(C)cc1I ZINC000603032049 652670815 /nfs/dbraw/zinc/67/08/15/652670815.db2.gz FNMMCEOGTAVFPM-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO [NH3+][C@@H](CO)c1cn(Cc2cc(Cl)ccc2I)nn1 ZINC000603237654 652687272 /nfs/dbraw/zinc/68/72/72/652687272.db2.gz KZWPJCODHSMQBR-JTQLQIEISA-N 1 0 378.601 1.577 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)c1ncc(I)s1 ZINC000603426217 652714914 /nfs/dbraw/zinc/71/49/14/652714914.db2.gz BEIYCSLIGSQSRR-UHFFFAOYSA-N 1 0 395.266 1.590 20 0 GDADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)s1 ZINC000605787641 652765572 /nfs/dbraw/zinc/76/55/72/652765572.db2.gz OGNYXMGXRQWTQK-LBPRGKRZSA-N 1 0 389.543 1.334 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cc(F)c(F)c(F)c3)CC2)C1 ZINC000608025425 652810334 /nfs/dbraw/zinc/81/03/34/652810334.db2.gz QYXIAXXHWBOXSV-GFCCVEGCSA-N 1 0 377.432 1.504 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cc(C)ccc2Br)C1 ZINC000611973914 652924684 /nfs/dbraw/zinc/92/46/84/652924684.db2.gz SGUOCPIRQVESOH-CQSZACIVSA-N 1 0 382.302 1.974 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612600079 652939419 /nfs/dbraw/zinc/93/94/19/652939419.db2.gz DXONSBUMKPOTLN-ZDUSSCGKSA-N 1 0 385.917 1.729 20 0 GDADRO Cc1c(Br)cncc1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000613214241 652955443 /nfs/dbraw/zinc/95/54/43/652955443.db2.gz BVUJSZZMGRFMKE-UHFFFAOYSA-N 1 0 398.301 1.452 20 0 GDADRO Ic1cnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)nc1 ZINC000613267900 652958001 /nfs/dbraw/zinc/95/80/01/652958001.db2.gz GPUCWDLHZSTFKW-CYBMUJFWSA-N 1 0 388.253 1.772 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000613659476 652958861 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CO[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)c1ccccc1Br ZINC000615280301 652962478 /nfs/dbraw/zinc/96/24/78/652962478.db2.gz DNUABNZHPHDYLO-KRWDZBQOSA-N 1 0 396.329 1.842 20 0 GDADRO C[NH+](C)CC1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000615513737 652963568 /nfs/dbraw/zinc/96/35/68/652963568.db2.gz XVAMNAXUFHWWEL-ZDUSSCGKSA-N 1 0 380.286 1.822 20 0 GDADRO CN(C(=O)c1sccc1S(N)(=O)=O)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000616157119 652967970 /nfs/dbraw/zinc/96/79/70/652967970.db2.gz RKINVEVQWPFDJC-UHFFFAOYSA-N 1 0 399.460 1.884 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000616993805 652971127 /nfs/dbraw/zinc/97/11/27/652971127.db2.gz NPDUJSCDPAZHPR-SNVBAGLBSA-N 1 0 381.278 1.737 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000617356700 652973060 /nfs/dbraw/zinc/97/30/60/652973060.db2.gz OCKCJIQTPOLEEE-ZDUSSCGKSA-N 1 0 387.933 1.997 20 0 GDADRO Cn1ncc(Br)c1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617696324 652975339 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GDADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620483799 652991542 /nfs/dbraw/zinc/99/15/42/652991542.db2.gz CJTWOLVJQJMATM-LBPRGKRZSA-N 1 0 383.290 1.721 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCc2sc(S(N)(=O)=O)cc2C1)[NH+]1CCCCC1 ZINC000620733547 652992865 /nfs/dbraw/zinc/99/28/65/652992865.db2.gz XZFRQZBLUUMHSZ-INIZCTEOSA-N 1 0 385.555 1.791 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCNC(=O)c1ccc(Br)cc1)C2 ZINC000621689572 652998892 /nfs/dbraw/zinc/99/88/92/652998892.db2.gz JQAIIWCNOFKONE-SUMWQHHRSA-N 1 0 380.286 1.909 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)s1 ZINC000621696258 652998952 /nfs/dbraw/zinc/99/89/52/652998952.db2.gz JNWOSUOWRVCLSP-CKEIUWERSA-N 1 0 383.539 1.549 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622013315 653000818 /nfs/dbraw/zinc/00/08/18/653000818.db2.gz NVCJCHCEQIEXBX-HZMBPMFUSA-N 1 0 375.288 1.960 20 0 GDADRO C[NH+](C)C1CC(NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000622009207 653000826 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[NH3+]C[C@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)CC[C@H]1C(F)(F)F ZINC000624390864 653011732 /nfs/dbraw/zinc/01/17/32/653011732.db2.gz KLLNGVMTIOEZGH-LSDHHAIUSA-N 1 0 377.432 1.749 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)c(OC)cc1OC ZINC000624394129 653012339 /nfs/dbraw/zinc/01/23/39/653012339.db2.gz VMVXXLDBLTYSEE-WDEREUQCSA-N 1 0 393.303 1.885 20 0 GDADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000625122656 653018580 /nfs/dbraw/zinc/01/85/80/653018580.db2.gz PWPQHWJHHXSOSM-ZDUSSCGKSA-N 1 0 381.267 1.242 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000626101210 653049938 /nfs/dbraw/zinc/04/99/38/653049938.db2.gz LJFYFOYXZJBTOT-AWEZNQCLSA-N 1 0 382.309 1.946 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000626169692 653050995 /nfs/dbraw/zinc/05/09/95/653050995.db2.gz QNBPLGGVAUFIRM-CQSZACIVSA-N 1 0 385.555 1.284 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1cccc2cncc(Br)c21 ZINC000626882556 653062655 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CC(C)[NH+]1CCC(NC(=O)COc2cc(Br)ccc2C(N)=O)CC1 ZINC000634537904 653494296 /nfs/dbraw/zinc/49/42/96/653494296.db2.gz OSRUBHUSJFYEHF-UHFFFAOYSA-N 1 0 398.301 1.916 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)C1CCCCC1 ZINC000635284686 653512566 /nfs/dbraw/zinc/51/25/66/653512566.db2.gz ZHPACBBHCCAQFN-MGPQQGTHSA-N 1 0 384.464 1.836 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000635471560 653518796 /nfs/dbraw/zinc/51/87/96/653518796.db2.gz JGIFNUYHLJGPHL-HZSPNIEDSA-N 1 0 384.464 1.980 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)c(Br)c2)CC1 ZINC000636465708 653523447 /nfs/dbraw/zinc/52/34/47/653523447.db2.gz ISWRKBCBQYSQGF-UHFFFAOYSA-N 1 0 382.302 1.974 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)NCc1cc(Br)cnc1OC ZINC000637406803 653527257 /nfs/dbraw/zinc/52/72/57/653527257.db2.gz GNWACVAFOZKBSN-UHFFFAOYSA-N 1 0 389.294 1.572 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(Br)c(F)c1F ZINC000637422701 653527994 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CC(C)CN1CCO[C@H](C[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638279716 653537581 /nfs/dbraw/zinc/53/75/81/653537581.db2.gz VLHSPQJPZJRLAT-OAHLLOKOSA-N 1 0 382.306 1.938 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)s1 ZINC000638295562 653537816 /nfs/dbraw/zinc/53/78/16/653537816.db2.gz YZZFBKLCOVYWQT-ZDUSSCGKSA-N 1 0 387.552 1.620 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000638552512 653539688 /nfs/dbraw/zinc/53/96/88/653539688.db2.gz OBRDYDXGWCMEDG-WCBMZHEXSA-N 1 0 385.433 1.256 20 0 GDADRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)OC ZINC000638562695 653540253 /nfs/dbraw/zinc/54/02/53/653540253.db2.gz LDZMLRAITTZYOU-UKRRQHHQSA-N 1 0 376.544 1.920 20 0 GDADRO CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638595563 653541159 /nfs/dbraw/zinc/54/11/59/653541159.db2.gz ICGGPOJGLMMFHB-UONOGXRCSA-N 1 0 384.274 1.423 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000638644876 653541701 /nfs/dbraw/zinc/54/17/01/653541701.db2.gz SDKYROPGHDKRKD-SCVCMEIPSA-N 1 0 394.269 1.690 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C[NH2+]1 ZINC000638649909 653541747 /nfs/dbraw/zinc/54/17/47/653541747.db2.gz SKLIHDPHVWKQNS-ZYHUDNBSSA-N 1 0 382.258 1.431 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000638770540 653543089 /nfs/dbraw/zinc/54/30/89/653543089.db2.gz OVXNJDZWXCNJNK-BLLLJJGKSA-N 1 0 379.507 1.707 20 0 GDADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000638827330 653544129 /nfs/dbraw/zinc/54/41/29/653544129.db2.gz GZGBHQOLSWWUIM-KMFMINBZSA-N 1 0 391.295 1.959 20 0 GDADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)COC1CC[NH2+]CC1 ZINC000638827504 653544325 /nfs/dbraw/zinc/54/43/25/653544325.db2.gz MLSAUDABQPXIQR-AWEZNQCLSA-N 1 0 391.295 1.960 20 0 GDADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638828090 653544360 /nfs/dbraw/zinc/54/43/60/653544360.db2.gz QTSZXXSMDLRLFR-NWANDNLSSA-N 1 0 377.268 1.555 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@H]1OC ZINC000639046960 653545020 /nfs/dbraw/zinc/54/50/20/653545020.db2.gz HIKCKABSQFXVJM-OUCADQQQSA-N 1 0 393.303 1.379 20 0 GDADRO CO[C@@H](C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CCOC1 ZINC000639134894 653547173 /nfs/dbraw/zinc/54/71/73/653547173.db2.gz AFCOWPVMGOXXEQ-FZMZJTMJSA-N 1 0 380.869 1.399 20 0 GDADRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cnn2cc(Br)cnc12 ZINC000639169792 653547864 /nfs/dbraw/zinc/54/78/64/653547864.db2.gz JVWJEXLECGUJNA-UHFFFAOYSA-N 1 0 395.349 1.950 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)cc1Br ZINC000639172795 653547929 /nfs/dbraw/zinc/54/79/29/653547929.db2.gz WJSZPOHDMWBSBS-JTQLQIEISA-N 1 0 391.209 1.499 20 0 GDADRO Cn1cc(CCCNc2cc(N3CCOCC3)c(Br)c[nH+]2)cn1 ZINC000639242395 653548263 /nfs/dbraw/zinc/54/82/63/653548263.db2.gz ROBNKJZNNDBESI-UHFFFAOYSA-N 1 0 380.290 2.459 20 0 GDADRO Cc1ccc(C[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C(C)C)s1 ZINC000639459212 653550463 /nfs/dbraw/zinc/55/04/63/653550463.db2.gz JXYLAOMQRMOHPH-UHFFFAOYSA-N 1 0 387.571 1.807 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000639760049 653552448 /nfs/dbraw/zinc/55/24/48/653552448.db2.gz AWQZBTYIDNNUHA-ZBFHGGJFSA-N 1 0 388.281 1.503 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639775402 653553407 /nfs/dbraw/zinc/55/34/07/653553407.db2.gz BBDAHZRGJFRKCJ-CABCVRRESA-N 1 0 388.306 1.236 20 0 GDADRO O=c1cc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)nc2sccn21 ZINC000639774707 653553524 /nfs/dbraw/zinc/55/35/24/653553524.db2.gz GNKUVYKRKPKTLW-HNNXBMFYSA-N 1 0 380.539 1.396 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(Cc2ccc(OC)c(OC)c2Br)nn1 ZINC000640989871 653561905 /nfs/dbraw/zinc/56/19/05/653561905.db2.gz RIAPSRFYLQNCRM-LLVKDONJSA-N 1 0 385.262 1.622 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC000641323373 653564442 /nfs/dbraw/zinc/56/44/42/653564442.db2.gz KOMNSORQGBWGAG-JTQLQIEISA-N 1 0 388.291 1.112 20 0 GDADRO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641499721 653569977 /nfs/dbraw/zinc/56/99/77/653569977.db2.gz IBKVASZXVIQBBB-JTQLQIEISA-N 1 0 390.307 1.499 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642105599 653577078 /nfs/dbraw/zinc/57/70/78/653577078.db2.gz MAKJNMZLLCENMA-WFASDCNBSA-N 1 0 382.302 1.755 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)NCCc2cc(Br)ccc2F)CC1 ZINC000642249365 653578077 /nfs/dbraw/zinc/57/80/77/653578077.db2.gz VGIUMMFECOEHPB-UHFFFAOYSA-N 1 0 386.265 1.587 20 0 GDADRO O=C(NCc1cc(Cl)ccc1OC(F)F)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642356655 653578264 /nfs/dbraw/zinc/57/82/64/653578264.db2.gz CQOMLQRZOBGEBV-LBPRGKRZSA-N 1 0 375.803 1.816 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642808411 653579458 /nfs/dbraw/zinc/57/94/58/653579458.db2.gz DIIBXWDQOFEREC-WCQYABFASA-N 1 0 398.301 1.893 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642904888 653579646 /nfs/dbraw/zinc/57/96/46/653579646.db2.gz AZUIXDWHMFPRRK-HNNXBMFYSA-N 1 0 382.302 1.708 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000643421207 653581934 /nfs/dbraw/zinc/58/19/34/653581934.db2.gz PCPXVBWVPGVIOR-NSHDSACASA-N 1 0 388.693 1.929 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)CCO1 ZINC000643477633 653583044 /nfs/dbraw/zinc/58/30/44/653583044.db2.gz ZEYLCBIZDURDDW-KOLCDFICSA-N 1 0 390.303 1.044 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643542892 653583524 /nfs/dbraw/zinc/58/35/24/653583524.db2.gz VMMFMEJNFBFVGM-UHFFFAOYSA-N 1 0 386.265 1.886 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000643971005 653593292 /nfs/dbraw/zinc/59/32/92/653593292.db2.gz MOHUUZLTVOSJSW-AWEZNQCLSA-N 1 0 386.539 1.633 20 0 GDADRO COC[C@@]1(CNC(=O)c2cc(OC)c(Br)c(OC)c2)CCC[NH2+]1 ZINC000644125800 653595783 /nfs/dbraw/zinc/59/57/83/653595783.db2.gz YOEPVAZQWUJNLP-INIZCTEOSA-N 1 0 387.274 1.965 20 0 GDADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000644154158 653596074 /nfs/dbraw/zinc/59/60/74/653596074.db2.gz AKBNZDOCRWAJGI-KBPBESRZSA-N 1 0 379.473 1.084 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000644299355 653597427 /nfs/dbraw/zinc/59/74/27/653597427.db2.gz JJTSAWVVVTWJHO-YGRLFVJLSA-N 1 0 375.288 1.782 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000644537176 653599184 /nfs/dbraw/zinc/59/91/84/653599184.db2.gz PXMGZZDPJNRXLL-LBPRGKRZSA-N 1 0 397.324 1.748 20 0 GDADRO CCC(=O)N1CC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000644598100 653599516 /nfs/dbraw/zinc/59/95/16/653599516.db2.gz GVVZMSVVCZBNPO-CYBMUJFWSA-N 1 0 389.315 1.823 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000644612352 653599574 /nfs/dbraw/zinc/59/95/74/653599574.db2.gz WJJXBGSWNNDVBQ-AWEZNQCLSA-N 1 0 388.555 1.879 20 0 GDADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000644631183 653599731 /nfs/dbraw/zinc/59/97/31/653599731.db2.gz JMOBKWKFWUIXNG-GXTWGEPZSA-N 1 0 377.268 1.712 20 0 GDADRO COc1ncc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1Br ZINC000644639918 653599824 /nfs/dbraw/zinc/59/98/24/653599824.db2.gz FLEUIPDIRDSMBR-AWEZNQCLSA-N 1 0 397.317 1.705 20 0 GDADRO COc1cccc(OC(F)(F)F)c1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000644646172 653599905 /nfs/dbraw/zinc/59/99/05/653599905.db2.gz SQURJXIAMMICKT-UHFFFAOYSA-N 1 0 383.388 1.623 20 0 GDADRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCn1cc(Br)ccc1=O ZINC000644656564 653599950 /nfs/dbraw/zinc/59/99/50/653599950.db2.gz UKWXLBBTSUJWAD-QGZVFWFLSA-N 1 0 394.313 1.693 20 0 GDADRO COc1ncc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000644675746 653600001 /nfs/dbraw/zinc/60/00/01/653600001.db2.gz KVORCORJWRMRSS-ZDUSSCGKSA-N 1 0 384.274 1.836 20 0 GDADRO C[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644709451 653600086 /nfs/dbraw/zinc/60/00/86/653600086.db2.gz QCTFXPWKMNNMAS-NEPJUHHUSA-N 1 0 397.324 1.699 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(CC(=O)NCC(=O)Nc3ccccc3Br)[C@@H]2C1 ZINC000644728855 653600140 /nfs/dbraw/zinc/60/01/40/653600140.db2.gz KYEYCWYFWWSSNZ-IUODEOHRSA-N 1 0 395.301 1.140 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1cc(Br)cs1 ZINC000645165763 653601740 /nfs/dbraw/zinc/60/17/40/653601740.db2.gz QRUFKDHFRGBZFO-SNVBAGLBSA-N 1 0 389.319 1.772 20 0 GDADRO CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000645261580 653602098 /nfs/dbraw/zinc/60/20/98/653602098.db2.gz VXYRAHNLQZJNGH-ZIAGYGMSSA-N 1 0 382.452 1.134 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccsc1Br ZINC000645373722 653602396 /nfs/dbraw/zinc/60/23/96/653602396.db2.gz MCKQFNDMMQPINQ-JTQLQIEISA-N 1 0 389.319 1.772 20 0 GDADRO CO[C@H](CS(=O)(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C1CCOCC1 ZINC000645469659 653602991 /nfs/dbraw/zinc/60/29/91/653602991.db2.gz QETWEVVFMDRGKU-QZTJIDSGSA-N 1 0 376.563 1.858 20 0 GDADRO C[C@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1ncc(Br)cn1 ZINC000645515447 653603563 /nfs/dbraw/zinc/60/35/63/653603563.db2.gz DCNNDMBJPSPXMQ-LBPRGKRZSA-N 1 0 398.305 1.806 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1Cl ZINC000645539261 653603828 /nfs/dbraw/zinc/60/38/28/653603828.db2.gz DJWDNAFEBZIGFE-CYBMUJFWSA-N 1 0 388.921 1.144 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000645614317 653604689 /nfs/dbraw/zinc/60/46/89/653604689.db2.gz CXVDKIIYZDCIGW-SDBXPKJASA-N 1 0 388.212 1.828 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(Br)c(C4CC4)n3)[C@@H]2C1 ZINC000645619331 653604774 /nfs/dbraw/zinc/60/47/74/653604774.db2.gz LTGCLPLYHCRVMG-WCQYABFASA-N 1 0 393.285 1.823 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)N3CCc4ccc(Br)cc43)[C@@H]2C1 ZINC000645622009 653604848 /nfs/dbraw/zinc/60/48/48/653604848.db2.gz MVZSHATZXWZWAO-IUODEOHRSA-N 1 0 378.270 1.501 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1Br ZINC000645620070 653604884 /nfs/dbraw/zinc/60/48/84/653604884.db2.gz APYQZUWDXZZUNF-FZMZJTMJSA-N 1 0 396.285 1.949 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1Br ZINC000645623585 653604909 /nfs/dbraw/zinc/60/49/09/653604909.db2.gz BJEYUNIRTXAPAO-GXFFZTMASA-N 1 0 382.258 1.559 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000645694746 653605909 /nfs/dbraw/zinc/60/59/09/653605909.db2.gz ZGDNMHHVBGCREA-GFCCVEGCSA-N 1 0 382.237 1.862 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000645835632 653607348 /nfs/dbraw/zinc/60/73/48/653607348.db2.gz WTXLXKGVNXGDPR-NSHDSACASA-N 1 0 394.324 1.875 20 0 GDADRO COc1cc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)ncc1Br ZINC000646277928 653609384 /nfs/dbraw/zinc/60/93/84/653609384.db2.gz ZNJOSUSLTWJUIP-VIFPVBQESA-N 1 0 381.234 1.621 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000646458345 653610322 /nfs/dbraw/zinc/61/03/22/653610322.db2.gz STUKPNYAWDBMRK-UHFFFAOYSA-N 1 0 396.329 1.706 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3cc4c(c(Br)c3)OCO4)C2)CC1 ZINC000646460219 653610379 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CC[C@H]1CN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000648126499 653639564 /nfs/dbraw/zinc/63/95/64/653639564.db2.gz LHYNCZLWQMWSFS-GWCFXTLKSA-N 1 0 394.324 1.858 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1)c1cccc(Cl)c1 ZINC000648170336 653640419 /nfs/dbraw/zinc/64/04/19/653640419.db2.gz RDNZNTSHPQIITF-MRXNPFEDSA-N 1 0 385.917 1.061 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)CC[NH3+] ZINC000648179464 653640554 /nfs/dbraw/zinc/64/05/54/653640554.db2.gz YGHLWIPMRIPFDZ-JTQLQIEISA-N 1 0 381.420 1.616 20 0 GDADRO COc1ccc(Br)cc1C1(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000648191569 653640922 /nfs/dbraw/zinc/64/09/22/653640922.db2.gz QXNOSHHRMSDCGV-HNNXBMFYSA-N 1 0 398.301 1.663 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648206613 653641134 /nfs/dbraw/zinc/64/11/34/653641134.db2.gz IWXCIFMQECAGQU-WFASDCNBSA-N 1 0 385.917 1.798 20 0 GDADRO CN(CC(=O)N[C@@H]1CC[NH2+]C12CCCC2)C(=O)c1ccc(Br)o1 ZINC000648209645 653641304 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385.917 1.563 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000653186912 653907941 /nfs/dbraw/zinc/90/79/41/653907941.db2.gz QHUGXZFXVGBYPG-SCRDCRAPSA-N 1 0 387.527 1.015 20 0 GDADRO C[NH2+]Cc1ccccc1CNC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000653212040 653908167 /nfs/dbraw/zinc/90/81/67/653908167.db2.gz VHUSLIPHYFVZQD-UHFFFAOYSA-N 1 0 381.523 1.489 20 0 GDADRO C[NH2+]Cc1ccccc1CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000653213060 653908215 /nfs/dbraw/zinc/90/82/15/653908215.db2.gz BKEFTCMEVOKGPZ-UHFFFAOYSA-N 1 0 387.914 1.716 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H]1CCCCO1 ZINC000653876506 653925322 /nfs/dbraw/zinc/92/53/22/653925322.db2.gz GJXFVLSOEUZWTA-CVEARBPZSA-N 1 0 377.551 1.100 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654501018 653939148 /nfs/dbraw/zinc/93/91/48/653939148.db2.gz GNARDDUGMCSOGH-KGLIPLIRSA-N 1 0 386.543 1.343 20 0 GDADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 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384.278 1.143 20 0 GDADRO CC(C)(CCS(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)S(C)(=O)=O ZINC000660178692 654244988 /nfs/dbraw/zinc/24/49/88/654244988.db2.gz GQEGRHWJCLFLBO-OAHLLOKOSA-N 1 0 380.576 1.241 20 0 GDADRO COC[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CCOCC1 ZINC000661157690 654264749 /nfs/dbraw/zinc/26/47/49/654264749.db2.gz JOXNWICWKMVKAT-HNNXBMFYSA-N 1 0 396.285 1.988 20 0 GDADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1COCCO1 ZINC000661613625 654278608 /nfs/dbraw/zinc/27/86/08/654278608.db2.gz ZSCJJHYZRBOEIE-UKRRQHHQSA-N 1 0 378.238 1.675 20 0 GDADRO COc1ncc(Br)cc1CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662245333 654290586 /nfs/dbraw/zinc/29/05/86/654290586.db2.gz TVXRMFPAIFJRII-CYBMUJFWSA-N 1 0 397.317 1.497 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662260688 654291125 /nfs/dbraw/zinc/29/11/25/654291125.db2.gz PAGKOAVLXWCXCB-CQSZACIVSA-N 1 0 383.290 1.483 20 0 GDADRO CC(C)(CNC(=O)CC1([NH3+])CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000662615872 654298078 /nfs/dbraw/zinc/29/80/78/654298078.db2.gz PHRJRXJJWIHQKQ-UHFFFAOYSA-N 1 0 389.315 1.999 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662756515 654302243 /nfs/dbraw/zinc/30/22/43/654302243.db2.gz IJMWHBZZHYZJJY-XJKSGUPXSA-N 1 0 383.334 1.591 20 0 GDADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000662809806 654302999 /nfs/dbraw/zinc/30/29/99/654302999.db2.gz LHAFXFTUCYQACY-VXGBXAGGSA-N 1 0 381.230 1.479 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N2CC3CC2(C[NH3+])C3)c1F ZINC000662877539 654315920 /nfs/dbraw/zinc/31/59/20/654315920.db2.gz WXFUAZRDWNFRNP-UHFFFAOYSA-N 1 0 391.262 1.555 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1Cl ZINC000663310319 654332588 /nfs/dbraw/zinc/33/25/88/654332588.db2.gz UUWJNBZGGUURJE-LLVKDONJSA-N 1 0 376.784 1.867 20 0 GDADRO CC(=O)N1CCCc2cc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)ccc21 ZINC000663312263 654333015 /nfs/dbraw/zinc/33/30/15/654333015.db2.gz WLKFVNRXLXPGEL-CQSZACIVSA-N 1 0 379.404 1.496 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)ccc1F ZINC000663374907 654336141 /nfs/dbraw/zinc/33/61/41/654336141.db2.gz HLQWDRJPYGWMAM-GFCCVEGCSA-N 1 0 388.848 1.656 20 0 GDADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCOC2(C[NH2+]C2)C1 ZINC000663493563 654338979 /nfs/dbraw/zinc/33/89/79/654338979.db2.gz INWLBEYKHAJRGF-UHFFFAOYSA-N 1 0 395.232 1.588 20 0 GDADRO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663493843 654338997 /nfs/dbraw/zinc/33/89/97/654338997.db2.gz LGEODFCXLMPFAR-LBPRGKRZSA-N 1 0 394.269 1.003 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000663594749 654344612 /nfs/dbraw/zinc/34/46/12/654344612.db2.gz GRGYHZBWNAZZBI-INIZCTEOSA-N 1 0 397.321 1.469 20 0 GDADRO CCN(C(=O)NCCNC(=O)c1cccc(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000663897970 654360327 /nfs/dbraw/zinc/36/03/27/654360327.db2.gz ZIHPSOXYQIOROV-HNNXBMFYSA-N 1 0 397.317 1.915 20 0 GDADRO O=S1(=O)C[C@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)[C@H](N2CCOCC2)C1 ZINC000666275385 654422122 /nfs/dbraw/zinc/42/21/22/654422122.db2.gz QUGINAKCUXAJBW-FHLIZLRMSA-N 1 0 384.929 1.285 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000666342590 654424692 /nfs/dbraw/zinc/42/46/92/654424692.db2.gz ODNWRYXCMWDLLJ-UHFFFAOYSA-N 1 0 387.274 1.918 20 0 GDADRO CCC[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)S(N)(=O)=O ZINC000667431016 654450142 /nfs/dbraw/zinc/45/01/42/654450142.db2.gz FUDTXPNGXRUXJR-OAHLLOKOSA-N 1 0 375.922 1.687 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c(Br)c1 ZINC000667518540 654453461 /nfs/dbraw/zinc/45/34/61/654453461.db2.gz JGNQUAWGIUTAQM-CQSZACIVSA-N 1 0 384.274 1.853 20 0 GDADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000667558115 654455459 /nfs/dbraw/zinc/45/54/59/654455459.db2.gz VRNSUCYHLLBTQO-SSDOTTSWSA-N 1 0 378.654 1.903 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(OC)cc1Br ZINC000667583165 654457020 /nfs/dbraw/zinc/45/70/20/654457020.db2.gz ISRJGLKBKGZDQI-UWVGGRQHSA-N 1 0 388.237 1.555 20 0 GDADRO 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GDADRO COCC[NH+](CCOC)C1CCN(C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000806941112 655075294 /nfs/dbraw/zinc/07/52/94/655075294.db2.gz WSMGKBUOCOZBCN-MRXNPFEDSA-N 1 0 391.603 1.604 20 0 GDADRO C[C@H]([NH3+])CNC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000834686874 655075848 /nfs/dbraw/zinc/07/58/48/655075848.db2.gz MMXQNDKXGGSDCK-VIFPVBQESA-N 1 0 392.319 1.603 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000834862141 655081461 /nfs/dbraw/zinc/08/14/61/655081461.db2.gz QQZOGKREWDQNGZ-UWVGGRQHSA-N 1 0 375.288 1.710 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000835114271 655086185 /nfs/dbraw/zinc/08/61/85/655086185.db2.gz OWCZWUQRXGGMSX-GFCCVEGCSA-N 1 0 381.274 1.788 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000760049504 655100417 /nfs/dbraw/zinc/10/04/17/655100417.db2.gz XACAPJBFSYUUOM-KGLIPLIRSA-N 1 0 378.539 1.102 20 0 GDADRO CC[NH+](CC)CCNC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000760213601 655105185 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384.464 1.836 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1Cl ZINC000848438145 655489965 /nfs/dbraw/zinc/48/99/65/655489965.db2.gz AVVFGUCMWJZEOF-JTQLQIEISA-N 1 0 389.783 1.141 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc(Br)cnc1Cl ZINC000825618056 655491883 /nfs/dbraw/zinc/49/18/83/655491883.db2.gz IYAHZWAHXOEJRD-UHFFFAOYSA-N 1 0 375.654 1.001 20 0 GDADRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(Cl)n1 ZINC000825872570 655494348 /nfs/dbraw/zinc/49/43/48/655494348.db2.gz HKJCTHDQNKLNBT-AWEZNQCLSA-N 1 0 382.873 1.397 20 0 GDADRO COC(=O)c1cc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C)o1 ZINC000848899664 655502040 /nfs/dbraw/zinc/50/20/40/655502040.db2.gz RVQNCRYWYLNOCO-UHFFFAOYSA-N 1 0 384.376 1.778 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000827456919 655511612 /nfs/dbraw/zinc/51/16/12/655511612.db2.gz RGAKVUIIQIAXDM-UHFFFAOYSA-N 1 0 394.313 1.870 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(Br)cnc1Br ZINC000827529419 655512718 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CCCS(=O)(=O)N1CCC([NH2+]C2CCC(NC(=O)OCC)CC2)CC1 ZINC000850423167 655554849 /nfs/dbraw/zinc/55/48/49/655554849.db2.gz OXYRADFWVIBVPE-UHFFFAOYSA-N 1 0 375.535 1.838 20 0 GDADRO CCOC(=O)NC1CCC([NH2+]C2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000850433107 655554912 /nfs/dbraw/zinc/55/49/12/655554912.db2.gz FRTAXIINNXKVLV-UHFFFAOYSA-N 1 0 375.535 1.142 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)CCC2 ZINC000850495453 655556575 /nfs/dbraw/zinc/55/65/75/655556575.db2.gz DKOITXBBQVTKGX-NPMABZOXSA-N 1 0 384.445 1.612 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000850505287 655556967 /nfs/dbraw/zinc/55/69/67/655556967.db2.gz AITKDYIRFCMABR-JTQLQIEISA-N 1 0 399.289 1.780 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000850581644 655559126 /nfs/dbraw/zinc/55/91/26/655559126.db2.gz HMKBZSAXTDBQHW-SNVBAGLBSA-N 1 0 391.287 1.595 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCCC2SCCS2)C1 ZINC000850657147 655562849 /nfs/dbraw/zinc/56/28/49/655562849.db2.gz QYGOHGNKVHHKBK-CQSZACIVSA-N 1 0 389.587 1.258 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1 ZINC000850821493 655568788 /nfs/dbraw/zinc/56/87/88/655568788.db2.gz LPLNMWJPOFZARE-SECBINFHSA-N 1 0 382.877 1.203 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850823667 655568865 /nfs/dbraw/zinc/56/88/65/655568865.db2.gz LYSYZHSKMFVLSU-DTWKUNHWSA-N 1 0 382.877 1.250 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000851661527 655590101 /nfs/dbraw/zinc/59/01/01/655590101.db2.gz KFJGPTFYSANKRI-OAHLLOKOSA-N 1 0 379.332 1.860 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000851691416 655590602 /nfs/dbraw/zinc/59/06/02/655590602.db2.gz IATSRVYDWBEHTN-VIFPVBQESA-N 1 0 388.693 1.711 20 0 GDADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000851851925 655599765 /nfs/dbraw/zinc/59/97/65/655599765.db2.gz HOFCZHWZVQWBAG-OAHLLOKOSA-N 1 0 386.901 1.762 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CCO1 ZINC000851887377 655602600 /nfs/dbraw/zinc/60/26/00/655602600.db2.gz WDEJAKVWVYQGKV-CYBMUJFWSA-N 1 0 381.420 1.832 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCn2ncc(Br)c2C1 ZINC000852124753 655608084 /nfs/dbraw/zinc/60/80/84/655608084.db2.gz DIMPBJMFXICRRE-GFCCVEGCSA-N 1 0 386.294 1.282 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000852171055 655609369 /nfs/dbraw/zinc/60/93/69/655609369.db2.gz WSSOHKLUIOXHLY-CQSZACIVSA-N 1 0 384.435 1.071 20 0 GDADRO CS(=O)(=O)NCC[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600270 655618396 /nfs/dbraw/zinc/61/83/96/655618396.db2.gz GJSOFJXNHOECLG-ZDUSSCGKSA-N 1 0 385.452 1.049 20 0 GDADRO NS(=O)(=O)CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600665 655618568 /nfs/dbraw/zinc/61/85/68/655618568.db2.gz KGUJCDPDWNLLRL-CYBMUJFWSA-N 1 0 385.452 1.178 20 0 GDADRO O=C(c1cnn(-c2ccccc2)c1I)N1CC[NH2+]CC1 ZINC000852789518 655622571 /nfs/dbraw/zinc/62/25/71/655622571.db2.gz AJSBPVBCKXLWDP-UHFFFAOYSA-N 1 0 382.205 1.522 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000852795822 655622710 /nfs/dbraw/zinc/62/27/10/655622710.db2.gz LTDJPOXBGCXURN-UHFFFAOYSA-N 1 0 376.245 1.905 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)c1cnn(-c2ccccc2)c1I ZINC000852796293 655622721 /nfs/dbraw/zinc/62/27/21/655622721.db2.gz BKIAGVUUZREVDT-JTQLQIEISA-N 1 0 384.221 1.896 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)c1cnn(-c2ccccc2)c1I ZINC000852794083 655622726 /nfs/dbraw/zinc/62/27/26/655622726.db2.gz LDWUVTBCKPEDPC-NSHDSACASA-N 1 0 396.232 1.911 20 0 GDADRO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCn2c(Br)cnc2C1 ZINC000852822538 655623577 /nfs/dbraw/zinc/62/35/77/655623577.db2.gz RHOYGDBAWFFQAS-UHFFFAOYSA-N 1 0 380.246 1.757 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000852858622 655624117 /nfs/dbraw/zinc/62/41/17/655624117.db2.gz FRSURDKGAVGQSR-UHFFFAOYSA-N 1 0 383.901 1.688 20 0 GDADRO [NH3+]CCCCCC(=O)N1CCC(n2nncc2I)CC1 ZINC000852861235 655624411 /nfs/dbraw/zinc/62/44/11/655624411.db2.gz RKJWDZPYHXGVQJ-UHFFFAOYSA-N 1 0 391.257 1.565 20 0 GDADRO CC(C)[NH2+]CCC(=O)N1CCC(n2nncc2I)CC1 ZINC000852861410 655624423 /nfs/dbraw/zinc/62/44/23/655624423.db2.gz UVHBYLBRXXGCQV-UHFFFAOYSA-N 1 0 391.257 1.434 20 0 GDADRO C[C@H]([NH3+])CCC(=O)N1CCC(n2nncc2I)CC1 ZINC000852861396 655624425 /nfs/dbraw/zinc/62/44/25/655624425.db2.gz UFHOIPGPABGHAO-VIFPVBQESA-N 1 0 377.230 1.174 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)=NO1 ZINC000852862440 655624601 /nfs/dbraw/zinc/62/46/01/655624601.db2.gz DWHPLLFEEICYFR-SMDDNHRTSA-N 1 0 381.274 1.495 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)c1cnn(-c2ccccc2)c1I ZINC000852873749 655624698 /nfs/dbraw/zinc/62/46/98/655624698.db2.gz BVDHPQROKSQXBG-JTQLQIEISA-N 1 0 384.221 1.944 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000852896294 655625616 /nfs/dbraw/zinc/62/56/16/655625616.db2.gz XGKGPJFXHKYPFW-YNEHKIRRSA-N 1 0 385.306 1.850 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000852896954 655625724 /nfs/dbraw/zinc/62/57/24/655625724.db2.gz KDLNAYIJPHTKIJ-YNEHKIRRSA-N 1 0 385.306 1.992 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1I ZINC000852923519 655628412 /nfs/dbraw/zinc/62/84/12/655628412.db2.gz GAROJIBQBKZUQC-JTQLQIEISA-N 1 0 384.221 1.815 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c(F)cc1C ZINC000853080852 655632236 /nfs/dbraw/zinc/63/22/36/655632236.db2.gz FTNQEYBXNSIPHM-LBPRGKRZSA-N 1 0 386.367 1.821 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c(Br)cc1F ZINC000853083070 655632404 /nfs/dbraw/zinc/63/24/04/655632404.db2.gz QLPQXFYHQOROSG-ZDUSSCGKSA-N 1 0 395.250 1.405 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1nccn2c(Br)cnc12 ZINC000854642442 655673378 /nfs/dbraw/zinc/67/33/78/655673378.db2.gz OSFFYYINRSOYFF-RYUDHWBXSA-N 1 0 394.273 1.427 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1(Br)Br ZINC000854689279 655674064 /nfs/dbraw/zinc/67/40/64/655674064.db2.gz BZCFWEFCNMMYMM-PWSUYJOCSA-N 1 0 398.139 1.846 20 0 GDADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C2 ZINC000854736684 655675467 /nfs/dbraw/zinc/67/54/67/655675467.db2.gz GTQIRYKYVYUTCJ-INIZCTEOSA-N 1 0 389.880 1.684 20 0 GDADRO CCN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)[C@H]1CC[N@H+](C)C1 ZINC000855361128 655692721 /nfs/dbraw/zinc/69/27/21/655692721.db2.gz LVWQNSBDSFKTGK-QMMMGPOBSA-N 1 0 396.332 1.324 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CSc1nc2ccccc2s1 ZINC000855697207 655699772 /nfs/dbraw/zinc/69/97/72/655699772.db2.gz KSHZHNYXBZHZIN-UHFFFAOYSA-N 1 0 380.539 1.867 20 0 GDADRO COc1cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cnc1Br ZINC000856253338 655710839 /nfs/dbraw/zinc/71/08/39/655710839.db2.gz KJPXHPNWPHXHSS-CYBMUJFWSA-N 1 0 384.274 1.524 20 0 GDADRO C[N@H+](CC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCSC1 ZINC000856330794 655711754 /nfs/dbraw/zinc/71/17/54/655711754.db2.gz NRONLKDNXQCEEE-BFHYXJOUSA-N 1 0 375.510 1.887 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC[NH2+]1 ZINC000856484988 655714079 /nfs/dbraw/zinc/71/40/79/655714079.db2.gz UDNZAHLLILFMDF-ZDUSSCGKSA-N 1 0 390.303 1.167 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000856724218 655715233 /nfs/dbraw/zinc/71/52/33/655715233.db2.gz XZXAUJSMYYGYEW-HUUCEWRRSA-N 1 0 375.535 1.647 20 0 GDADRO O=C(NCC[C@@H]1CC1(Cl)Cl)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000857098337 655727780 /nfs/dbraw/zinc/72/77/80/655727780.db2.gz DRIWJPIJXXOJSJ-TZMCWYRMSA-N 1 0 386.279 1.986 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000857110098 655728023 /nfs/dbraw/zinc/72/80/23/655728023.db2.gz QEESZVRYMLSXMS-WDEREUQCSA-N 1 0 376.270 1.776 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2c(Br)nc3n2CCOC3)CCSC1 ZINC000857146396 655729107 /nfs/dbraw/zinc/72/91/07/655729107.db2.gz PLHBEDOUKGXFQS-CQSZACIVSA-N 1 0 389.319 1.343 20 0 GDADRO CS[C@H]1CN(C(=O)c2c(Br)nc3n2CCOC3)C[C@H]1[NH+](C)C ZINC000857164943 655729665 /nfs/dbraw/zinc/72/96/65/655729665.db2.gz UPJVQVQTLNXYCJ-ZJUUUORDSA-N 1 0 389.319 1.293 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000857183827 655730126 /nfs/dbraw/zinc/73/01/26/655730126.db2.gz ORFFUKGPCINLEH-HNNXBMFYSA-N 1 0 375.311 1.833 20 0 GDADRO C[NH+](C)C1CC(NC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C1 ZINC000857231134 655731601 /nfs/dbraw/zinc/73/16/01/655731601.db2.gz WDSLXOYVFMOORK-UHFFFAOYSA-N 1 0 378.416 1.774 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Br)cnc1Cl)C2 ZINC000857233837 655731607 /nfs/dbraw/zinc/73/16/07/655731607.db2.gz GIQYNYDBSSAOAY-QPUJVOFHSA-N 1 0 380.695 1.999 20 0 GDADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000858526581 655749055 /nfs/dbraw/zinc/74/90/55/655749055.db2.gz FPEGQZFOPSLGPV-SOUVJXGZSA-N 1 0 376.519 1.568 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000858613129 655750305 /nfs/dbraw/zinc/75/03/05/655750305.db2.gz SWFMPHIJKPLAEH-NSHDSACASA-N 1 0 383.804 1.794 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@]4(CCC[NH2+]4)C3)c(Cl)cc21 ZINC000858614476 655750448 /nfs/dbraw/zinc/75/04/48/655750448.db2.gz MNKRYUGWKJKPGT-KRWDZBQOSA-N 1 0 383.901 1.766 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc3c2COC3=O)CC[C@@H]1C(F)(F)F ZINC000858623225 655751039 /nfs/dbraw/zinc/75/10/39/655751039.db2.gz GEJFEYRDDDABRS-CABZTGNLSA-N 1 0 378.372 1.505 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(Br)o1 ZINC000858631324 655751383 /nfs/dbraw/zinc/75/13/83/655751383.db2.gz CDHAJEHZBGCZKW-YUMQZZPRSA-N 1 0 381.248 1.248 20 0 GDADRO C=CC(=O)N(C)CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000858862507 655754155 /nfs/dbraw/zinc/75/41/55/655754155.db2.gz JFBYOBLUQPKOHM-UHFFFAOYSA-N 1 0 382.302 1.984 20 0 GDADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)nc1F ZINC000858899493 655755045 /nfs/dbraw/zinc/75/50/45/655755045.db2.gz XONALOUNJJONKV-SECBINFHSA-N 1 0 378.267 1.746 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)nc2F)C[C@H]1[NH+](C)C ZINC000859084485 655762401 /nfs/dbraw/zinc/76/24/01/655762401.db2.gz FLDWBMSYBSJTCZ-BDAKNGLRSA-N 1 0 398.323 1.649 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cccc2scnc21)[C@H]1CCS(=O)(=O)C1 ZINC000859941272 655792027 /nfs/dbraw/zinc/79/20/27/655792027.db2.gz LMQZDXDKKLVRSP-ZDUSSCGKSA-N 1 0 381.523 1.877 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000860192985 655796316 /nfs/dbraw/zinc/79/63/16/655796316.db2.gz BYFXLPOMDBOSDS-SWLSCSKDSA-N 1 0 380.432 2.000 20 0 GDADRO O=Cc1cnc2c(Br)cc(C(=O)NCCN3CCCOCC3)cn12 ZINC000861191262 655817219 /nfs/dbraw/zinc/81/72/19/655817219.db2.gz OGRTVRFMPUPPAT-UHFFFAOYSA-N 1 0 395.257 1.361 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000861516330 655824276 /nfs/dbraw/zinc/82/42/76/655824276.db2.gz DMCRXRJODWDDBG-UHFFFAOYSA-N 1 0 393.669 1.097 20 0 GDADRO Cc1c(NC(=O)C(=O)N(C)CCOCC[NH3+])cnc(Cl)c1Br ZINC000861526237 655824714 /nfs/dbraw/zinc/82/47/14/655824714.db2.gz LSBDWCJTRBWEFZ-UHFFFAOYSA-N 1 0 393.669 1.178 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861543062 655825573 /nfs/dbraw/zinc/82/55/73/655825573.db2.gz WYSZNZNVFZTPME-SSDOTTSWSA-N 1 0 390.209 1.119 20 0 GDADRO CC(C)(C)OC(=O)N1[C@H](CN2CC[C@@H](CS(C)(=O)=O)C2)COC1(C)C ZINC000862373383 655845341 /nfs/dbraw/zinc/84/53/41/655845341.db2.gz FFOSKEWPURPSKD-ZIAGYGMSSA-N 1 0 376.519 1.725 20 0 GDADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000863570395 655875868 /nfs/dbraw/zinc/87/58/68/655875868.db2.gz GGDNROGGVQRRLI-WMZOPIPTSA-N 1 0 399.329 1.688 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000863753914 655879878 /nfs/dbraw/zinc/87/98/78/655879878.db2.gz LGWNUUBOQAJQNR-FZMZJTMJSA-N 1 0 384.274 1.155 20 0 GDADRO C[NH2+]C1(CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CCC1 ZINC000863922987 655883646 /nfs/dbraw/zinc/88/36/46/655883646.db2.gz ICFNQYPSUDOLBF-UHFFFAOYSA-N 1 0 380.495 1.170 20 0 GDADRO Cn1cc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c(I)n1 ZINC000864054565 655888182 /nfs/dbraw/zinc/88/81/82/655888182.db2.gz VMDLYIJWUGOKCP-LBPRGKRZSA-N 1 0 391.253 1.700 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2ccc(Br)cc2=O)C[C@H](C)O1 ZINC000864668579 655904072 /nfs/dbraw/zinc/90/40/72/655904072.db2.gz RARMHRZCMDCKDT-BETUJISGSA-N 1 0 386.290 1.226 20 0 GDADRO C[C@@H](CNC(=O)c1cc(I)nn1C)C[NH+]1CCCCC1 ZINC000864946364 655908754 /nfs/dbraw/zinc/90/87/54/655908754.db2.gz VJXGMYMYARSLDN-NSHDSACASA-N 1 0 390.269 1.877 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)c2nccn2c1 ZINC000865061406 655911170 /nfs/dbraw/zinc/91/11/70/655911170.db2.gz ZBWJKKDAMIOMAI-CHWSQXEVSA-N 1 0 379.258 1.690 20 0 GDADRO COCCc1ncc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)s1 ZINC000865426390 655919575 /nfs/dbraw/zinc/91/95/75/655919575.db2.gz NJPVMPSSADGZNS-CQSZACIVSA-N 1 0 378.420 1.995 20 0 GDADRO COCCc1ncc(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)s1 ZINC000865426389 655919581 /nfs/dbraw/zinc/91/95/81/655919581.db2.gz NJPVMPSSADGZNS-AWEZNQCLSA-N 1 0 378.420 1.995 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000865490255 655920763 /nfs/dbraw/zinc/92/07/63/655920763.db2.gz QMUSITIFKQGIBN-GWCFXTLKSA-N 1 0 392.319 1.660 20 0 GDADRO Cc1ccnc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1Br ZINC000865522916 655921179 /nfs/dbraw/zinc/92/11/79/655921179.db2.gz WKYDKZVPVTVKRI-WFASDCNBSA-N 1 0 389.315 1.978 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(Br)cc1S(N)(=O)=O ZINC000865523808 655921187 /nfs/dbraw/zinc/92/11/87/655921187.db2.gz FTKARNNJZIVASP-LLVKDONJSA-N 1 0 391.335 1.144 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865691632 655924371 /nfs/dbraw/zinc/92/43/71/655924371.db2.gz CUQYERZEFFZWKD-FVXHWKGMSA-N 1 0 385.917 1.718 20 0 GDADRO Cn1ncc(Br)c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000865747668 655925735 /nfs/dbraw/zinc/92/57/35/655925735.db2.gz PFQFPRIQONEUHR-WCQYABFASA-N 1 0 389.294 1.643 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@]34COC(=O)N3CCOC4)cnc12 ZINC000865770584 655926204 /nfs/dbraw/zinc/92/62/04/655926204.db2.gz SKFSGGXEMIBMMW-MRXNPFEDSA-N 1 0 395.257 1.716 20 0 GDADRO COc1ccc(C[NH2+]C[C@]23COCCN2C(=O)COC3)c(Br)c1 ZINC000865796110 655927044 /nfs/dbraw/zinc/92/70/44/655927044.db2.gz QCAOYEQUMOGOFW-MRXNPFEDSA-N 1 0 385.258 1.175 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(I)nn2C)C[C@H]1C ZINC000866020662 655933055 /nfs/dbraw/zinc/93/30/55/655933055.db2.gz OFYULPFWZGYJKM-MNOVXSKESA-N 1 0 390.269 1.970 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cn(C)nc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000866493071 655947084 /nfs/dbraw/zinc/94/70/84/655947084.db2.gz WIGZIJUOXIORPG-QWRGUYRKSA-N 1 0 379.324 1.724 20 0 GDADRO Cn1ncc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c1Br ZINC000866552737 655949067 /nfs/dbraw/zinc/94/90/67/655949067.db2.gz IRQYFMCKKWRKEZ-UHFFFAOYSA-N 1 0 379.324 1.724 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(Br)n1 ZINC000866615659 655951676 /nfs/dbraw/zinc/95/16/76/655951676.db2.gz HROTXWZGVIFFJQ-LLVKDONJSA-N 1 0 377.308 1.432 20 0 GDADRO C[C@@H]([NH2+]Cc1c(I)cnn1C)C1CCS(=O)(=O)CC1 ZINC000866631911 655951998 /nfs/dbraw/zinc/95/19/98/655951998.db2.gz SXTCKIMMCJUWAR-SECBINFHSA-N 1 0 397.282 1.328 20 0 GDADRO C[C@@]1(CS(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1(Cl)Cl ZINC000866711759 655956053 /nfs/dbraw/zinc/95/60/53/655956053.db2.gz NEEUUKSCNTWKLX-AAEUAGOBSA-N 1 0 386.345 1.077 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000866731552 655957132 /nfs/dbraw/zinc/95/71/32/655957132.db2.gz BWRFIKSHGXKJOL-HSZRJFAPSA-N 1 0 377.532 1.469 20 0 GDADRO C[NH2+]C1CCN(S(=O)(=O)Cc2c(Br)cccc2OC)CC1 ZINC000866739735 655957739 /nfs/dbraw/zinc/95/77/39/655957739.db2.gz GJELJBIUHNKIFL-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000866761875 655959915 /nfs/dbraw/zinc/95/99/15/655959915.db2.gz BWQXEKFNYYRASF-GFCCVEGCSA-N 1 0 380.333 1.811 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1Br ZINC000866769446 655960959 /nfs/dbraw/zinc/96/09/59/655960959.db2.gz KWNKUCSFZNRSRS-GHMZBOCLSA-N 1 0 377.308 1.335 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000866776820 655962183 /nfs/dbraw/zinc/96/21/83/655962183.db2.gz LQMQPOLWJMBCGJ-QWRGUYRKSA-N 1 0 388.253 1.581 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000866777019 655962239 /nfs/dbraw/zinc/96/22/39/655962239.db2.gz NSIGEZVJHPLLDC-TUBUTJRMSA-N 1 0 393.506 1.232 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000866792893 655964302 /nfs/dbraw/zinc/96/43/02/655964302.db2.gz LKSBHCBJBUHMIG-APPZFPTMSA-N 1 0 393.694 1.860 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)nc2F)[C@H](C)C1 ZINC000866797077 655964663 /nfs/dbraw/zinc/96/46/63/655964663.db2.gz OVGXGQKARWKQFM-OLZOCXBDSA-N 1 0 377.457 1.775 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)nc2F)[C@H](C)C1 ZINC000866797075 655964690 /nfs/dbraw/zinc/96/46/90/655964690.db2.gz OVGXGQKARWKQFM-CHWSQXEVSA-N 1 0 377.457 1.775 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000866809881 655966112 /nfs/dbraw/zinc/96/61/12/655966112.db2.gz PEFVWELJTGDQOZ-ZSBIGDGJSA-N 1 0 392.930 1.552 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)c1OC ZINC000866812334 655966329 /nfs/dbraw/zinc/96/63/29/655966329.db2.gz IKKPANQPYRPAEJ-JTQLQIEISA-N 1 0 389.905 1.375 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Cl)c1 ZINC000866816946 655966639 /nfs/dbraw/zinc/96/66/39/655966639.db2.gz GXQZVQRHGOADFH-YUTCNCBUSA-N 1 0 385.873 1.204 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)s1 ZINC000866819202 655966818 /nfs/dbraw/zinc/96/68/18/655966818.db2.gz DHEKQUPRIRYWFY-JSGCOSHPSA-N 1 0 387.527 1.409 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21)C(F)F ZINC000866820264 655966906 /nfs/dbraw/zinc/96/69/06/655966906.db2.gz PHDDMEKAZSUWCP-RYUDHWBXSA-N 1 0 394.465 1.446 20 0 GDADRO Cn1ncc(S(=O)(=O)N2C[C@H](C[NH3+])Cc3ccccc32)c1Br ZINC000866824969 655967322 /nfs/dbraw/zinc/96/73/22/655967322.db2.gz WYROFSYYVKEVDV-JTQLQIEISA-N 1 0 385.287 1.509 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(Br)o1 ZINC000866827939 655967678 /nfs/dbraw/zinc/96/76/78/655967678.db2.gz TZYSIUYRLIYPMJ-BDAKNGLRSA-N 1 0 393.259 1.344 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000866856866 655970832 /nfs/dbraw/zinc/97/08/32/655970832.db2.gz OUGXYWRECJPUGL-UHFFFAOYSA-N 1 0 391.331 1.634 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cnn(C)c2Br)C1 ZINC000866891937 655974345 /nfs/dbraw/zinc/97/43/45/655974345.db2.gz OARMQLASMODDGG-LLVKDONJSA-N 1 0 379.324 1.535 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000866993765 655985087 /nfs/dbraw/zinc/98/50/87/655985087.db2.gz JKRNZBAHPAZFQP-ZYHUDNBSSA-N 1 0 389.319 1.810 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3nc[nH]c3Br)C2)CC1 ZINC000867012466 655987108 /nfs/dbraw/zinc/98/71/08/655987108.db2.gz LWRCKAXADVPACY-NSHDSACASA-N 1 0 377.308 1.525 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000867018045 655987788 /nfs/dbraw/zinc/98/77/88/655987788.db2.gz UOEBXJFMWDOCNY-CABCVRRESA-N 1 0 377.551 1.893 20 0 GDADRO Cn1ncc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c1Br ZINC000867107409 655995732 /nfs/dbraw/zinc/99/57/32/655995732.db2.gz WKVJOQWLSSWKLR-UHFFFAOYSA-N 1 0 379.324 1.583 20 0 GDADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000867121929 655998281 /nfs/dbraw/zinc/99/82/81/655998281.db2.gz SBPOQFOSGUVPER-CQSZACIVSA-N 1 0 386.389 1.906 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000867147839 656002533 /nfs/dbraw/zinc/00/25/33/656002533.db2.gz PCDAONOHVCDDIV-UHFFFAOYSA-N 1 0 390.347 1.424 20 0 GDADRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)N=S(C)(C)=O)cc2)CC1 ZINC000867243312 656021009 /nfs/dbraw/zinc/02/10/09/656021009.db2.gz QDVADARKXSGRST-UHFFFAOYSA-N 1 0 375.516 1.222 20 0 GDADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cnn(C)c1Br ZINC000867262572 656025359 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20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCSCCC(F)(F)F)[C@@H](C)C1 ZINC000867516620 656074683 /nfs/dbraw/zinc/07/46/83/656074683.db2.gz ANRGHRZNOPUYSH-STQMWFEESA-N 1 0 383.480 1.977 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1nc[nH]c1Br ZINC000867516946 656074697 /nfs/dbraw/zinc/07/46/97/656074697.db2.gz KLHOVNATZQJHJQ-JTQLQIEISA-N 1 0 377.308 1.858 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CCO1 ZINC000867537182 656080213 /nfs/dbraw/zinc/08/02/13/656080213.db2.gz DALKSZZHCOZASZ-IZHWHUGBSA-N 1 0 389.543 1.431 20 0 GDADRO CC(C)n1ncc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1I ZINC000867965649 656136164 /nfs/dbraw/zinc/13/61/64/656136164.db2.gz GRXMBGBKFBXHEZ-AOOOYVTPSA-N 1 0 376.242 1.891 20 0 GDADRO COc1cc(I)ccc1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000867974949 656136641 /nfs/dbraw/zinc/13/66/41/656136641.db2.gz NZVZEXHRMQXERG-WPRPVWTQSA-N 1 0 378.185 1.730 20 0 GDADRO [NH3+][C@@H](C(=O)N1CC[C@H](Nc2ncccn2)C1)c1cccc(Br)c1 ZINC000867981037 656136790 /nfs/dbraw/zinc/13/67/90/656136790.db2.gz FXHAJWKFYWDVRQ-UONOGXRCSA-N 1 0 376.258 1.952 20 0 GDADRO C[NH+]1CCC2(CCCN(C(=O)Cn3ccc(Br)cc3=O)C2)CC1 ZINC000868016383 656137494 /nfs/dbraw/zinc/13/74/94/656137494.db2.gz OKRBPGJQMAZORD-UHFFFAOYSA-N 1 0 382.302 1.945 20 0 GDADRO Cn1ncc(I)c1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000868052756 656138597 /nfs/dbraw/zinc/13/85/97/656138597.db2.gz RYZVRBOAHXESSA-UHFFFAOYSA-N 1 0 382.205 1.558 20 0 GDADRO O=C(Nc1ccccc1Br)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868089587 656140619 /nfs/dbraw/zinc/14/06/19/656140619.db2.gz VEAPPQNHTPCCMQ-HONMWMINSA-N 1 0 395.257 1.848 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000868255386 656146633 /nfs/dbraw/zinc/14/66/33/656146633.db2.gz CKANFQUNDYCBMB-UHFFFAOYSA-N 1 0 384.274 1.902 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)cnc1Br ZINC000868268798 656147461 /nfs/dbraw/zinc/14/74/61/656147461.db2.gz PBSWKANDQRWPPZ-LLVKDONJSA-N 1 0 383.290 1.985 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000868278909 656148232 /nfs/dbraw/zinc/14/82/32/656148232.db2.gz JCVCBUVPNFILOA-DTORHVGOSA-N 1 0 380.861 1.098 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2I)C1 ZINC000868302435 656149801 /nfs/dbraw/zinc/14/98/01/656149801.db2.gz GMXUAUDZAZSVIU-OTSSQURYSA-N 1 0 391.184 1.222 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868307100 656150240 /nfs/dbraw/zinc/15/02/40/656150240.db2.gz OLMKBXOGOOBBIA-ZSBIGDGJSA-N 1 0 381.274 1.738 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868419466 656155127 /nfs/dbraw/zinc/15/51/27/656155127.db2.gz PKNDEQPYRGPNHF-HZPDHXFCSA-N 1 0 394.313 1.803 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3cc(Br)cn4ccnc34)C2)CC1 ZINC000868555800 656160689 /nfs/dbraw/zinc/16/06/89/656160689.db2.gz VCLKGVYAVNWDRZ-UHFFFAOYSA-N 1 0 392.301 1.416 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)c2cc(Br)cn3ccnc23)CC[N@H+](C)C1 ZINC000868865337 656172232 /nfs/dbraw/zinc/17/22/32/656172232.db2.gz HCNQJLALBVJZGJ-NSHDSACASA-N 1 0 395.257 1.274 20 0 GDADRO CC(C)n1ncc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1Br ZINC000869081741 656178919 /nfs/dbraw/zinc/17/89/19/656178919.db2.gz PEVYXMDKUANLDB-LLVKDONJSA-N 1 0 386.294 1.419 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000869210982 656185665 /nfs/dbraw/zinc/18/56/65/656185665.db2.gz ZLQDKFRIJREIRK-QWRGUYRKSA-N 1 0 388.253 1.771 20 0 GDADRO C/C(=C/c1ccc(Br)o1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000869260901 656188896 /nfs/dbraw/zinc/18/88/96/656188896.db2.gz OCQFSZLIQRSBJM-BENRWUELSA-N 1 0 386.290 1.924 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(F)c(Br)cc1F ZINC000869261301 656189081 /nfs/dbraw/zinc/18/90/81/656189081.db2.gz XVMBNRNOQTUPCD-UHFFFAOYSA-N 1 0 392.244 1.819 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000869775083 656206935 /nfs/dbraw/zinc/20/69/35/656206935.db2.gz HFKIISSDMZOAEP-JOYOIKCWSA-N 1 0 398.139 1.844 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(Br)c2[O-])C[C@H]1C[NH+](C)C ZINC000870022060 656214403 /nfs/dbraw/zinc/21/44/03/656214403.db2.gz NLWRYXMPSPEMQA-CHWSQXEVSA-N 1 0 384.318 1.966 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000870912755 656254979 /nfs/dbraw/zinc/25/49/79/656254979.db2.gz LJEOLZRRIBYCHI-RDJZCZTQSA-N 1 0 380.286 1.838 20 0 GDADRO O=C(c1cc(Br)cn2ccnc12)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000870914781 656255115 /nfs/dbraw/zinc/25/51/15/656255115.db2.gz TZNVUWRQNZKBKO-CYBMUJFWSA-N 1 0 378.274 1.217 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000870972376 656259482 /nfs/dbraw/zinc/25/94/82/656259482.db2.gz ZFVHTUUARHMLNN-QXEWZRGKSA-N 1 0 380.242 1.287 20 0 GDADRO O=C(Cc1ccccc1Br)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999218 656259810 /nfs/dbraw/zinc/25/98/10/656259810.db2.gz MBQNVFHQVDESSO-YUELXQCFSA-N 1 0 394.269 1.385 20 0 GDADRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871002889 656259892 /nfs/dbraw/zinc/25/98/92/656259892.db2.gz XIDRGKTWTGOSQV-DFBGVHRSSA-N 1 0 384.263 1.929 20 0 GDADRO O=C(c1ccc(F)cc1Br)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871001498 656259919 /nfs/dbraw/zinc/25/99/19/656259919.db2.gz APKAHFWMSKMSMG-GDLCADMTSA-N 1 0 398.232 1.595 20 0 GDADRO O=C(c1cc(Br)ccc1F)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871001632 656259950 /nfs/dbraw/zinc/25/99/50/656259950.db2.gz DQQDBSCCGPIVJE-GDLCADMTSA-N 1 0 398.232 1.595 20 0 GDADRO O=C(c1ccc(Br)s1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004899 656260135 /nfs/dbraw/zinc/26/01/35/656260135.db2.gz PMPZYUOBAYTZNH-BBBLOLIVSA-N 1 0 386.271 1.518 20 0 GDADRO CN1CCn2nc(NC(=O)[C@](C)([NH3+])c3ccc(Br)cc3)cc2C1 ZINC000871010613 656260293 /nfs/dbraw/zinc/26/02/93/656260293.db2.gz GCAMNPKEXJBTKF-MRXNPFEDSA-N 1 0 378.274 1.904 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000871019844 656260324 /nfs/dbraw/zinc/26/03/24/656260324.db2.gz 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NINSFVNOSJQEDL-GHMZBOCLSA-N 1 0 375.338 1.097 20 0 GDADRO CCN(C(=O)C(=O)NCc1ccc(Br)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000934128748 657339485 /nfs/dbraw/zinc/33/94/85/657339485.db2.gz SFTAHBDZVSTCLX-CYBMUJFWSA-N 1 0 386.265 1.757 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000884286822 657342483 /nfs/dbraw/zinc/34/24/83/657342483.db2.gz MALRLCSCAPSVRO-SNVBAGLBSA-N 1 0 379.404 1.462 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1)C(N)=O ZINC000884301143 657343977 /nfs/dbraw/zinc/34/39/77/657343977.db2.gz PNFGYVLWAWNLCS-AVGNSLFASA-N 1 0 382.555 1.500 20 0 GDADRO C[C@@H]1CCCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)[C@H]1CC[NH3+] ZINC000884385075 657351967 /nfs/dbraw/zinc/35/19/67/657351967.db2.gz DGZQMQVOQKAJCS-IPYPFGDCSA-N 1 0 385.555 1.564 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000884389231 657352204 /nfs/dbraw/zinc/35/22/04/657352204.db2.gz RJVHBVWWDZZOSO-LNSITVRQSA-N 1 0 385.306 1.613 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)nn1C ZINC000884394134 657352890 /nfs/dbraw/zinc/35/28/90/657352890.db2.gz VMXAEUGLNBCZIV-CYBMUJFWSA-N 1 0 393.241 1.670 20 0 GDADRO CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884409615 657353947 /nfs/dbraw/zinc/35/39/47/657353947.db2.gz NPZQOCXHHFPUJN-GJZGRUSLSA-N 1 0 388.917 1.781 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884431427 657356207 /nfs/dbraw/zinc/35/62/07/657356207.db2.gz TXNRDGFNHSQKKH-ZIAGYGMSSA-N 1 0 379.254 1.931 20 0 GDADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCC[S@](=O)CC(F)(F)F ZINC000884461598 657358789 /nfs/dbraw/zinc/35/87/89/657358789.db2.gz JFHPPUJKADAOMX-YDBLSZJJSA-N 1 0 378.420 1.613 20 0 GDADRO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1nn2c(c1Br)CCC2 ZINC000884462376 657359018 /nfs/dbraw/zinc/35/90/18/657359018.db2.gz CNJVAAVKVZHDJA-UHFFFAOYSA-N 1 0 391.273 1.649 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000884533949 657363463 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CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000934750849 657373501 /nfs/dbraw/zinc/37/35/01/657373501.db2.gz SZETXPZZFASAPG-PUAOIOHZSA-N 1 0 389.587 1.912 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)NC[C@@H]1CC13CCSCC3)C2 ZINC000884727273 657376154 /nfs/dbraw/zinc/37/61/54/657376154.db2.gz PNFBBJYQQKZNHF-NSHDSACASA-N 1 0 380.539 1.136 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Br)c1 ZINC000884820279 657381090 /nfs/dbraw/zinc/38/10/90/657381090.db2.gz NJUQFHVBPKQIHH-DFBGVHRSSA-N 1 0 398.301 1.510 20 0 GDADRO CC[N@H+](C)C[C@@H](O)CN[C@H](CO)c1ccccc1I ZINC000934828677 657381666 /nfs/dbraw/zinc/38/16/66/657381666.db2.gz QZOMGOKOBXZNSI-SMDDNHRTSA-N 1 0 378.254 1.227 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(Br)cn3ncnc23)C[C@H]1[NH+](C)C ZINC000935112213 657402907 /nfs/dbraw/zinc/40/29/07/657402907.db2.gz WKAVRAWRYPPAMO-VXGBXAGGSA-N 1 0 384.303 1.609 20 0 GDADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(Br)cn2)C1 ZINC000885023858 657407397 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C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000935398991 657429578 /nfs/dbraw/zinc/42/95/78/657429578.db2.gz DHEGNLBAYHBUCR-BDJLRTHQSA-N 1 0 382.258 1.058 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000935399880 657429837 /nfs/dbraw/zinc/42/98/37/657429837.db2.gz OKSOZVPDLVZQHL-KRWDZBQOSA-N 1 0 393.285 1.490 20 0 GDADRO C[NH+]1CCC(OCC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000935644723 657459942 /nfs/dbraw/zinc/45/99/42/657459942.db2.gz NYEFQVNHAKVHBP-OAHLLOKOSA-N 1 0 399.329 1.827 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(=O)n(C)cc2Br)CCCO1 ZINC000935657792 657463169 /nfs/dbraw/zinc/46/31/69/657463169.db2.gz SXZPLLWPTKVUER-LBPRGKRZSA-N 1 0 386.290 1.379 20 0 GDADRO O=C(N1CCC[C@@H]([NH+]2CCOCC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000935814850 657489896 /nfs/dbraw/zinc/48/98/96/657489896.db2.gz YXJZVMRLTFWGHW-OAHLLOKOSA-N 1 0 397.317 1.848 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1nc(Br)c2ccccn21 ZINC000935843192 657499698 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396.285 1.448 20 0 GDADRO O=C(c1ccc2c(Br)cnn2c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000935987452 657536190 /nfs/dbraw/zinc/53/61/90/657536190.db2.gz WYIJACZVSATMPG-CHWSQXEVSA-N 1 0 379.258 1.378 20 0 GDADRO CO[C@@H]1CN(C(=O)c2cscc2Cl)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000942004534 657555770 /nfs/dbraw/zinc/55/57/70/657555770.db2.gz YRINNQUPELSDJZ-YIKOMLBNSA-N 1 0 385.917 1.697 20 0 GDADRO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)nc1Br ZINC000885879534 657583236 /nfs/dbraw/zinc/58/32/36/657583236.db2.gz JAMHFEIACWAYNT-LBPRGKRZSA-N 1 0 384.274 1.836 20 0 GDADRO C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)n1cc(Br)cn1 ZINC000885888088 657584506 /nfs/dbraw/zinc/58/45/06/657584506.db2.gz BEEKXLUUFVZDCC-SWLSCSKDSA-N 1 0 385.306 1.966 20 0 GDADRO Cc1csc(Cl)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O ZINC000969430513 657586323 /nfs/dbraw/zinc/58/63/23/657586323.db2.gz DJZINMUPPOACIE-LPWJVIDDSA-N 1 0 385.917 1.352 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCn2ncc(I)c2C1)[NH+](C)C 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377.304 1.685 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000886891609 657720317 /nfs/dbraw/zinc/72/03/17/657720317.db2.gz BEWLGBYVTIUABH-NSHDSACASA-N 1 0 375.878 1.680 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000886891684 657720327 /nfs/dbraw/zinc/72/03/27/657720327.db2.gz CTUVZSBALXGAHN-JTQLQIEISA-N 1 0 386.417 1.353 20 0 GDADRO O=C(CCS(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F)OCc1ccccc1 ZINC000886896729 657723186 /nfs/dbraw/zinc/72/31/86/657723186.db2.gz SAIDVVHSPOCCQB-CQSZACIVSA-N 1 0 376.425 1.284 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000886896874 657723289 /nfs/dbraw/zinc/72/32/89/657723289.db2.gz XLFHTWHDHIRJIF-JTQLQIEISA-N 1 0 381.832 1.822 20 0 GDADRO O=C1CCc2cc(Cl)c(S(=O)(=O)NC[C@@H]3C[NH2+]CCC3(F)F)cc21 ZINC000886898375 657724868 /nfs/dbraw/zinc/72/48/68/657724868.db2.gz ZBCGEANIGRQJRW-JTQLQIEISA-N 1 0 378.828 1.992 20 0 GDADRO COC[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCCOC1 ZINC000886910088 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CN1CCC(CNC(=O)CN2CSCCSC2)([NH+]2CCCCC2)CC1 ZINC000900857820 659153627 /nfs/dbraw/zinc/15/36/27/659153627.db2.gz LCNCHBWDUVGILQ-UHFFFAOYSA-N 1 0 386.631 1.750 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H](O)c1cccc(Br)c1 ZINC000901140647 659195991 /nfs/dbraw/zinc/19/59/91/659195991.db2.gz UUSZCXARAGIFBU-JKSUJKDBSA-N 1 0 385.302 1.836 20 0 GDADRO CC(C)(C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)CS(C)(=O)=O ZINC000901586641 659221847 /nfs/dbraw/zinc/22/18/47/659221847.db2.gz HOSRSJPNSCKAHD-CYBMUJFWSA-N 1 0 380.432 1.762 20 0 GDADRO NC(=O)[C@H](NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc(Br)c1 ZINC000901621997 659223540 /nfs/dbraw/zinc/22/35/40/659223540.db2.gz ACPWIHBIHSZCSH-HZPDHXFCSA-N 1 0 382.302 1.818 20 0 GDADRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCc4ncc(Br)n4C3)C2=O)n(C)n1 ZINC000901728099 659230651 /nfs/dbraw/zinc/23/06/51/659230651.db2.gz KQTCESRWZURQNV-NEPJUHHUSA-N 1 0 393.289 1.397 20 0 GDADRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCc4ncc(Br)n4C3)C2=O)n(C)n1 ZINC000901728101 659231219 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COc1ccc(Br)c(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1F ZINC000903194579 659300583 /nfs/dbraw/zinc/30/05/83/659300583.db2.gz FWWWIOATOWKJSO-WOFXILAISA-N 1 0 393.278 1.777 20 0 GDADRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903229999 659308414 /nfs/dbraw/zinc/30/84/14/659308414.db2.gz TZBIZJGRFWHQHK-ZDUSSCGKSA-N 1 0 375.516 1.075 20 0 GDADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)C1(Br)CC1)CCS2(=O)=O ZINC000903452769 659316092 /nfs/dbraw/zinc/31/60/92/659316092.db2.gz QMBCOIRDZBKBOE-JJMZSNKZSA-N 1 0 394.331 1.791 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000903499055 659319643 /nfs/dbraw/zinc/31/96/43/659319643.db2.gz JQCWWEZKYGXDOO-UHFFFAOYSA-N 1 0 375.535 1.347 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(S(=O)(=O)c3cc4ccccc4s3)C2)nn1 ZINC000903503445 659319658 /nfs/dbraw/zinc/31/96/58/659319658.db2.gz FGBLJWNPJQPNBF-AWEZNQCLSA-N 1 0 377.495 1.977 20 0 GDADRO [NH3+]C[C@H]1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903513186 659322513 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GDADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903542109 659334335 /nfs/dbraw/zinc/33/43/35/659334335.db2.gz YZPKCPDLYYRBID-MNOVXSKESA-N 1 0 377.304 1.982 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903544625 659335764 /nfs/dbraw/zinc/33/57/64/659335764.db2.gz BYMUOEDZUDKRFF-HNNXBMFYSA-N 1 0 388.917 1.923 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1c(Cl)nc2sccn21 ZINC000903545329 659335861 /nfs/dbraw/zinc/33/58/61/659335861.db2.gz LTHGVLFNNPYHGG-JTQLQIEISA-N 1 0 390.918 1.486 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903548667 659337105 /nfs/dbraw/zinc/33/71/05/659337105.db2.gz QQRQSOLXGLYOLV-VXGBXAGGSA-N 1 0 375.516 1.171 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000903548624 659337243 /nfs/dbraw/zinc/33/72/43/659337243.db2.gz LCZNEGMCYAHHCO-GHMZBOCLSA-N 1 0 380.919 1.267 20 0 GDADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000903549662 659337665 /nfs/dbraw/zinc/33/76/65/659337665.db2.gz NVHDYVYJAAVUOD-UHFFFAOYSA-N 1 0 380.297 1.922 20 0 GDADRO C[NH2+]CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)C ZINC000903570335 659344221 /nfs/dbraw/zinc/34/42/21/659344221.db2.gz BTFYKBHCNXZLRL-UHFFFAOYSA-N 1 0 390.937 1.459 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH2+]C)cc1F ZINC000903575024 659346537 /nfs/dbraw/zinc/34/65/37/659346537.db2.gz CFTDSZNIIOOJQF-LBPRGKRZSA-N 1 0 393.506 1.350 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(C)c1 ZINC000903578301 659349183 /nfs/dbraw/zinc/34/91/83/659349183.db2.gz FMCKYUBKCQGGIS-VXGBXAGGSA-N 1 0 380.388 1.682 20 0 GDADRO COCc1ccc(OC)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903578460 659349581 /nfs/dbraw/zinc/34/95/81/659349581.db2.gz HYXLZORGLSPUPB-NWDGAFQWSA-N 1 0 382.404 1.742 20 0 GDADRO Cn1c2ccc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@H]([NH3+])C3)cc2oc1=O ZINC000903580095 659350866 /nfs/dbraw/zinc/35/08/66/659350866.db2.gz RYTIKWWEUYIEOP-VHSXEESVSA-N 1 0 379.360 1.032 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC[C@H]1C(F)(F)F ZINC000903580548 659351075 /nfs/dbraw/zinc/35/10/75/659351075.db2.gz VSFLUTZMNUQJQS-OLZOCXBDSA-N 1 0 398.428 1.015 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1Br ZINC000903581208 659351924 /nfs/dbraw/zinc/35/19/24/659351924.db2.gz BKKLTVTWMRCTFP-NKWVEPMBSA-N 1 0 391.213 1.083 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000903589755 659355880 /nfs/dbraw/zinc/35/58/80/659355880.db2.gz KRMBTVKBODJZDQ-UHFFFAOYSA-N 1 0 399.332 1.916 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1ccc(I)cc1 ZINC000903592847 659357059 /nfs/dbraw/zinc/35/70/59/659357059.db2.gz SRDBRBAOEYXPCF-MFKMUULPSA-N 1 0 392.262 1.793 20 0 GDADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000903628452 659364457 /nfs/dbraw/zinc/36/44/57/659364457.db2.gz PATHYIKMBCJFFJ-WDNXAPGXSA-N 1 0 386.543 1.422 20 0 GDADRO CCc1cnc(CN(C)C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)s1 ZINC000903754420 659378668 /nfs/dbraw/zinc/37/86/68/659378668.db2.gz HTHXHTURFAMPCN-QWRGUYRKSA-N 1 0 378.420 1.402 20 0 GDADRO Cc1csc([C@H]2CCN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)C2)n1 ZINC000903775166 659380160 /nfs/dbraw/zinc/38/01/60/659380160.db2.gz AXKAHOGXJZYOQW-HBNTYKKESA-N 1 0 376.404 1.115 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903792197 659380827 /nfs/dbraw/zinc/38/08/27/659380827.db2.gz OJMGYZBXNKKOSZ-NSHDSACASA-N 1 0 384.249 1.423 20 0 GDADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903793629 659381172 /nfs/dbraw/zinc/38/11/72/659381172.db2.gz ZSCLNYZHFQMHHN-UONOGXRCSA-N 1 0 398.301 1.137 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903802792 659381849 /nfs/dbraw/zinc/38/18/49/659381849.db2.gz XQBXZUQPEGAGJO-CABCVRRESA-N 1 0 395.301 1.718 20 0 GDADRO COC[C@H]1C[NH2+]CCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000903876447 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CCn1ccnc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271861 945652936 /nfs/dbraw/zinc/65/29/36/945652936.db2.gz LCCFIAQCSWCNCE-LBPRGKRZSA-N 1 0 386.485 1.491 20 0 GDADRO CC[C@H](C(=O)N1CCCC[C@@H]1CNc1nc(C)ccc1-c1nn[nH]n1)[NH+](C)C ZINC001571272281 945660368 /nfs/dbraw/zinc/66/03/68/945660368.db2.gz QQMFRPTUPMWIPD-GDBMZVCRSA-N 1 0 386.504 1.703 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n1C ZINC001571272480 945664388 /nfs/dbraw/zinc/66/43/88/945664388.db2.gz UGSLUJOGSWSUOI-GFCCVEGCSA-N 1 0 386.485 1.222 20 0 GDADRO Cn1cc(Cl)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571274675 945699054 /nfs/dbraw/zinc/69/90/54/945699054.db2.gz JVFIQOGEAJELFO-ZDUSSCGKSA-N 1 0 386.847 1.258 20 0 GDADRO C[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CCN(CCn2cccn2)CC1 ZINC000821595471 945734502 /nfs/dbraw/zinc/73/45/02/945734502.db2.gz YCRRPUHTHQZBJB-LJQANCHMSA-N 1 0 396.499 1.193 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC[N@@H+]1CCC1CCOCC1 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QQLCOHOMBFSYND-ZIAGYGMSSA-N 1 0 387.488 1.546 20 0 GDADRO C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001571285623 945922669 /nfs/dbraw/zinc/92/26/69/945922669.db2.gz KBJCZKLRCRSBRS-NSHDSACASA-N 1 0 388.382 1.215 20 0 GDADRO CC1(C)CN(C(=O)[C@H]2CCOC2)C[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571287272 945969829 /nfs/dbraw/zinc/96/98/29/945969829.db2.gz CDIZLULOMBHCEE-XJKSGUPXSA-N 1 0 388.447 1.369 20 0 GDADRO CO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571287610 945974728 /nfs/dbraw/zinc/97/47/28/945974728.db2.gz GBZXTBZXJWYJMO-OAUYIBNBSA-N 1 0 388.447 1.606 20 0 GDADRO CC[C@H](OC)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(F)c(-c3nn[nH]n3)c1)C2 ZINC001571287995 945980074 /nfs/dbraw/zinc/98/00/74/945980074.db2.gz KTQOZHXCSLMPQN-INIZCTEOSA-N 1 0 388.447 1.465 20 0 GDADRO CN(C(=O)[C@@]1(C)CCOC1)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571288462 945988184 /nfs/dbraw/zinc/98/81/84/945988184.db2.gz PBFODTJMSFZOGO-ZOJXTTQQSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)[C@@H]1CCOC1 ZINC001571288695 945991219 /nfs/dbraw/zinc/99/12/19/945991219.db2.gz RGJVYFYRFDEFLD-WLYUNCDWSA-N 1 0 388.447 1.559 20 0 GDADRO CCO[C@@H]1CN(C(=O)C2CC2)C[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571288911 945992278 /nfs/dbraw/zinc/99/22/78/945992278.db2.gz UJVPRRJZVOWUCJ-RHSMWYFYSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@@H]1CO[C@H](C(=O)NC2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001571288932 945994906 /nfs/dbraw/zinc/99/49/06/945994906.db2.gz USRKAPUFMMWUAT-SJCJKPOMSA-N 1 0 388.447 1.511 20 0 GDADRO CC(C)(O)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571288935 945995400 /nfs/dbraw/zinc/99/54/00/945995400.db2.gz UUGKCGMENYCLPC-BLLLJJGKSA-N 1 0 388.447 1.200 20 0 GDADRO CO[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001571289251 945997679 /nfs/dbraw/zinc/99/76/79/945997679.db2.gz YFCIJCBPLPGNJD-LQAWEQHXSA-N 1 0 388.447 1.367 20 0 GDADRO COc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H](C)OC)C2)cc1-c1nn[nH]n1 ZINC001571289637 946012515 /nfs/dbraw/zinc/01/25/15/946012515.db2.gz JFEBPHQXVVDURW-UKRRQHHQSA-N 1 0 388.472 1.191 20 0 GDADRO COc1nscc1C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571289763 946017007 /nfs/dbraw/zinc/01/70/07/946017007.db2.gz LYQONMRIVSOOLZ-LLVKDONJSA-N 1 0 388.457 1.054 20 0 GDADRO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571290626 946050887 /nfs/dbraw/zinc/05/08/87/946050887.db2.gz KKWSOSIMBHELFQ-ZOBORPQBSA-N 1 0 388.497 1.291 20 0 GDADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1-c1nn[nH]n1 ZINC001571293367 946104033 /nfs/dbraw/zinc/10/40/33/946104033.db2.gz GOFBVLIBOTVTLX-FMKPAKJESA-N 1 0 389.456 1.318 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000822535345 946118796 /nfs/dbraw/zinc/11/87/96/946118796.db2.gz NXTYPHRWIAFGLF-WCQYABFASA-N 1 0 381.440 1.914 20 0 GDADRO Cc1sc(NC(=O)CN2CC[NH+](C3CCC3)CC2)c(-c2nn[nH]n2)c1C ZINC000822559217 946128647 /nfs/dbraw/zinc/12/86/47/946128647.db2.gz YLLYCRHFEROIMY-UHFFFAOYSA-N 1 0 375.502 1.654 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295452 946165277 /nfs/dbraw/zinc/16/52/77/946165277.db2.gz TWRUFSXWYHTPKN-KGLIPLIRSA-N 1 0 389.529 1.351 20 0 GDADRO CN(c1cccc(C[NH2+]Cc2cccc(F)c2-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001571296137 946188135 /nfs/dbraw/zinc/18/81/35/946188135.db2.gz OXINEBZYIQFJFR-UHFFFAOYSA-N 1 0 390.444 1.691 20 0 GDADRO C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571298273 946210346 /nfs/dbraw/zinc/21/03/46/946210346.db2.gz MGFFBLSVDISKCN-DOMZBBRYSA-N 1 0 390.463 1.351 20 0 GDADRO O=C(NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CCOC1 ZINC001571298559 946221686 /nfs/dbraw/zinc/22/16/86/946221686.db2.gz AWEVQTSYNHRUGD-UONOGXRCSA-N 1 0 390.513 1.826 20 0 GDADRO O=C(c1cncnc1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571298837 946230095 /nfs/dbraw/zinc/23/00/95/946230095.db2.gz RGWABFVDUNELBB-QZTJIDSGSA-N 1 0 390.451 1.536 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571299147 946241241 /nfs/dbraw/zinc/24/12/41/946241241.db2.gz JDSSRGBQCUHSBD-SUHUHFCYSA-N 1 0 390.879 1.316 20 0 GDADRO CC[C@H](OC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571299737 946258261 /nfs/dbraw/zinc/25/82/61/946258261.db2.gz OZWFNEJKENJFAC-KBXCAEBGSA-N 1 0 390.513 1.778 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299741 946259577 /nfs/dbraw/zinc/25/95/77/946259577.db2.gz PAWDXESJCNCZCQ-NGFQHRJXSA-N 1 0 390.513 1.680 20 0 GDADRO Cc1nsc(N2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1-c1nn[nH]n1 ZINC001571299724 946260294 /nfs/dbraw/zinc/26/02/94/946260294.db2.gz OXMJZEDNHMGKCR-DGCLKSJQSA-N 1 0 390.517 1.011 20 0 GDADRO C[C@H](C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001571299885 946263342 /nfs/dbraw/zinc/26/33/42/946263342.db2.gz QGCSZIQBIZAANK-GXTWGEPZSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001571300068 946271918 /nfs/dbraw/zinc/27/19/18/946271918.db2.gz SQPICFGXNYZIEV-KJBLDROHSA-N 1 0 390.513 1.729 20 0 GDADRO Cc1nsc(N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC001571300191 946275871 /nfs/dbraw/zinc/27/58/71/946275871.db2.gz WLYQKJPGDYOXCH-LBPRGKRZSA-N 1 0 390.517 1.519 20 0 GDADRO Cc1nsc(NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)c1-c1nn[nH]n1 ZINC001571300265 946279238 /nfs/dbraw/zinc/27/92/38/946279238.db2.gz YCOGOMZFEDKQKK-OLZOCXBDSA-N 1 0 390.517 1.519 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H]([NH2+]Cc2nccn2C(F)F)C1 ZINC001571302236 946298359 /nfs/dbraw/zinc/29/83/59/946298359.db2.gz SDANWLGNFGYXAL-LLVKDONJSA-N 1 0 391.386 1.181 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)[C@H]1C[C@@H]1C(F)F ZINC001571308257 946431242 /nfs/dbraw/zinc/43/12/42/946431242.db2.gz NLUWWOIQAVYKCB-BTFPBAQTSA-N 1 0 392.385 1.453 20 0 GDADRO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C3CC3)on2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571310148 946464098 /nfs/dbraw/zinc/46/40/98/946464098.db2.gz WXFJTVHTQHGTNZ-LAQFHYBYSA-N 1 0 392.423 1.300 20 0 GDADRO CC(C)n1cccc1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571310333 946469428 /nfs/dbraw/zinc/46/94/28/946469428.db2.gz BRKXFPBMXALIQM-GASCZTMLSA-N 1 0 392.467 1.853 20 0 GDADRO O=C(Cc1ccccc1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571310433 946470325 /nfs/dbraw/zinc/47/03/25/946470325.db2.gz FVTHKLBDPJCSAT-GOSISDBHSA-N 1 0 392.463 1.426 20 0 GDADRO Cc1cccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)c1 ZINC001571310614 946477126 /nfs/dbraw/zinc/47/71/26/946477126.db2.gz KRNWOQBIZKNPRM-RTBURBONSA-N 1 0 392.463 1.079 20 0 GDADRO C[C@]12CN(C(=O)Cc3ccco3)C[C@H]1C[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571311055 946483070 /nfs/dbraw/zinc/48/30/70/946483070.db2.gz RAZAUXIEFIELJJ-IERDGZPVSA-N 1 0 392.463 1.983 20 0 GDADRO C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)c1 ZINC001571313346 946521556 /nfs/dbraw/zinc/52/15/56/946521556.db2.gz NBRLNNJIJFAUNW-QAQDUYKDSA-N 1 0 392.467 1.696 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571313500 946522144 /nfs/dbraw/zinc/52/21/44/946522144.db2.gz QKLOWLKRRAHJHG-KZULUSFZSA-N 1 0 392.467 1.718 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571313549 946525564 /nfs/dbraw/zinc/52/55/64/946525564.db2.gz RMXNMSWVRKHFGK-RHSMWYFYSA-N 1 0 392.467 1.545 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2CC23CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC3)n1C ZINC001571314890 946544877 /nfs/dbraw/zinc/54/48/77/946544877.db2.gz CWIOVBAXJFFBOP-KRWDZBQOSA-N 1 0 392.467 1.698 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2-c2nn[nH]n2)[nH]n1 ZINC001571315151 946546508 /nfs/dbraw/zinc/54/65/08/946546508.db2.gz GVRLCSVQSHGZDR-CVEARBPZSA-N 1 0 392.467 1.777 20 0 GDADRO Cc1cc(NC[C@@H]2CC[C@@H](NC(=O)c3ccncc3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315146 946546688 /nfs/dbraw/zinc/54/66/88/946546688.db2.gz GSBILOGXSQFCQI-HUUCEWRRSA-N 1 0 392.467 1.706 20 0 GDADRO Cc1cc(N2CCCN(C(=O)Cc3cnccc3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315402 946553045 /nfs/dbraw/zinc/55/30/45/946553045.db2.gz JMZYYTUNDLSHJZ-UHFFFAOYSA-N 1 0 392.467 1.555 20 0 GDADRO Cc1nccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@H](C)C2)n1 ZINC001571316384 946573830 /nfs/dbraw/zinc/57/38/30/946573830.db2.gz BFHPMKYDMFHTJE-CXAGYDPISA-N 1 0 392.467 1.463 20 0 GDADRO Cc1ncncc1C(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571316447 946575812 /nfs/dbraw/zinc/57/58/12/946575812.db2.gz CQZADDGODYIWTR-YJBOKZPZSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1ccnc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571316467 946575944 /nfs/dbraw/zinc/57/59/44/946575944.db2.gz DAVCIUKMPPLAKH-PBHICJAKSA-N 1 0 392.467 1.748 20 0 GDADRO Cc1ncncc1C(=O)N[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001571316545 946579221 /nfs/dbraw/zinc/57/92/21/946579221.db2.gz FXZFDNRMHLTIRM-KRWDZBQOSA-N 1 0 392.467 1.606 20 0 GDADRO Cc1cnc(C(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)cc1C ZINC001571316519 946579342 /nfs/dbraw/zinc/57/93/42/946579342.db2.gz FJLGYTGSXGQIQP-UHFFFAOYSA-N 1 0 392.467 1.920 20 0 GDADRO O=C(NC[C@H]1CCCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)c1ccncn1 ZINC001571316485 946579665 /nfs/dbraw/zinc/57/96/65/946579665.db2.gz DKLPAOBNWPYMIS-MRXNPFEDSA-N 1 0 392.467 1.831 20 0 GDADRO Cn1ncc(C2CC2)c1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316699 946584265 /nfs/dbraw/zinc/58/42/65/946584265.db2.gz KDWQTKWZXVKWRD-MRXNPFEDSA-N 1 0 392.467 1.482 20 0 GDADRO Cc1ccn(C)c1C(=O)N[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001571316657 946585666 /nfs/dbraw/zinc/58/56/66/946585666.db2.gz JGKIVZDJQOWEDH-JKSUJKDBSA-N 1 0 392.467 1.484 20 0 GDADRO Cc1cncc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2c[nH]c(-c4nn[nH]n4)c2)C3)c1 ZINC001571316862 946589556 /nfs/dbraw/zinc/58/95/56/946589556.db2.gz ONGSTJVHTYWEFO-XKQJLSEDSA-N 1 0 392.467 1.681 20 0 GDADRO Cc1nccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571317057 946597691 /nfs/dbraw/zinc/59/76/91/946597691.db2.gz UIYVZBNGWFNUNM-DLBZAZTESA-N 1 0 392.467 1.653 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@H]1CCn2ccnc2C1 ZINC001571317151 946601587 /nfs/dbraw/zinc/60/15/87/946601587.db2.gz WREMTJZSCFGCLI-GOEBONIOSA-N 1 0 392.467 1.016 20 0 GDADRO Cc1ncncc1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571317138 946601865 /nfs/dbraw/zinc/60/18/65/946601865.db2.gz WHXOTAVCMQOQKN-QGZVFWFLSA-N 1 0 392.467 1.606 20 0 GDADRO C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[nH]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824506084 946752258 /nfs/dbraw/zinc/75/22/58/946752258.db2.gz LAOQHYQGWCOPPS-ZFWWWQNUSA-N 1 0 395.471 1.632 20 0 GDADRO CC(=O)N[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573540636 946780596 /nfs/dbraw/zinc/78/05/96/946780596.db2.gz ITKVAMJMZHSWPN-MLGOLLRUSA-N 1 0 387.488 1.012 20 0 GDADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825066256 947062394 /nfs/dbraw/zinc/06/23/94/947062394.db2.gz AMIYLWCTNKHJJV-LSDHHAIUSA-N 1 0 385.516 1.724 20 0 GDADRO CCCn1cc(C[N@@H+]2CCCN(c3nccc(C)c3-c3nn[nH]n3)CC2)cn1 ZINC000825362257 947165072 /nfs/dbraw/zinc/16/50/72/947165072.db2.gz LGMFRVRSVUMVSY-UHFFFAOYSA-N 1 0 381.488 1.889 20 0 GDADRO C[C@@H](CNc1nccnc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573585955 947274192 /nfs/dbraw/zinc/27/41/92/947274192.db2.gz KCMIKTVIUFQSCL-KBPBESRZSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001573586362 947285428 /nfs/dbraw/zinc/28/54/28/947285428.db2.gz OXGLZXDPAKNVNT-UONOGXRCSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CCC1 ZINC001573592618 947343803 /nfs/dbraw/zinc/34/38/03/947343803.db2.gz LHCSKULHEYAEMM-PBHICJAKSA-N 1 0 386.500 1.554 20 0 GDADRO C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573594717 947405104 /nfs/dbraw/zinc/40/51/04/947405104.db2.gz COFMQEDNIIRHFV-QAPCUYQASA-N 1 0 386.500 1.962 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573594740 947406347 /nfs/dbraw/zinc/40/63/47/947406347.db2.gz RMXJGMXTNSXQMS-WMLDXEAASA-N 1 0 380.456 1.357 20 0 GDADRO C[N@@H+]1CCCC12CCN(CCC(=O)Nc1sccc1-c1nn[nH]n1)CC2 ZINC000826034828 947414076 /nfs/dbraw/zinc/41/40/76/947414076.db2.gz WVKFAGWQSHJTOF-UHFFFAOYSA-N 1 0 375.502 1.817 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573596968 947433518 /nfs/dbraw/zinc/43/35/18/947433518.db2.gz MFZXYWARSQEMLR-WMLDXEAASA-N 1 0 380.456 1.357 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826133127 947446574 /nfs/dbraw/zinc/44/65/74/947446574.db2.gz JYTLUEHLFOYAMS-YVEFUNNKSA-N 1 0 392.485 1.968 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)(F)F ZINC001573598833 947447685 /nfs/dbraw/zinc/44/76/85/947447685.db2.gz SETHMDRIMRZGGX-SMDDNHRTSA-N 1 0 382.415 1.067 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573617410 947635699 /nfs/dbraw/zinc/63/56/99/947635699.db2.gz OZOXUOXZFKCGKX-KGLIPLIRSA-N 1 0 381.440 1.943 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001573356303 947650403 /nfs/dbraw/zinc/65/04/03/947650403.db2.gz WIKYRVXFKJYDAE-SFHVURJKSA-N 1 0 378.436 1.390 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573619606 947667510 /nfs/dbraw/zinc/66/75/10/947667510.db2.gz WEIXHKIBOHWAOQ-DOMZBBRYSA-N 1 0 384.419 1.154 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(F)(F)F ZINC001573619829 947671342 /nfs/dbraw/zinc/67/13/42/947671342.db2.gz YESJIURAGXRJDM-KOLCDFICSA-N 1 0 386.353 1.895 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001573628811 947765265 /nfs/dbraw/zinc/76/52/65/947765265.db2.gz KITZWLBOBPYFPU-KZULUSFZSA-N 1 0 390.513 1.417 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@@H](C)C1 ZINC001573369807 947776258 /nfs/dbraw/zinc/77/62/58/947776258.db2.gz XATFBILOPGGIJJ-SJCJKPOMSA-N 1 0 388.447 1.702 20 0 GDADRO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826288129 947837434 /nfs/dbraw/zinc/83/74/34/947837434.db2.gz SEESKAOPWSKXGZ-UHFFFAOYSA-N 1 0 380.452 1.998 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001573640095 947850687 /nfs/dbraw/zinc/85/06/87/947850687.db2.gz FKAVMCBWPKFVOF-YPMHNXCESA-N 1 0 376.486 1.291 20 0 GDADRO C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C(C)(C)C ZINC001573640026 947851097 /nfs/dbraw/zinc/85/10/97/947851097.db2.gz FBZSDXISPGOFOK-GDBMZVCRSA-N 1 0 386.500 1.866 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccn1 ZINC001573646260 947873486 /nfs/dbraw/zinc/87/34/86/947873486.db2.gz KJKZKYYEUFOTHI-FHLIZLRMSA-N 1 0 392.467 1.357 20 0 GDADRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1)n1cccn1 ZINC001573647669 947900994 /nfs/dbraw/zinc/90/09/94/947900994.db2.gz RPGLDJACZCIHCP-OIISXLGYSA-N 1 0 392.467 1.215 20 0 GDADRO C[C@@H](C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(C)(F)F ZINC001573654251 947963972 /nfs/dbraw/zinc/96/39/72/947963972.db2.gz QGCCWAUHBLHJCI-MGPLVRAMSA-N 1 0 379.415 1.672 20 0 GDADRO C[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573657083 947996216 /nfs/dbraw/zinc/99/62/16/947996216.db2.gz KJEOHLGBXYAAPA-AUUYWEPGSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCOCC1)C1CC1 ZINC001573657606 948000121 /nfs/dbraw/zinc/00/01/21/948000121.db2.gz NRAWCEXGSNNILB-CQSZACIVSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCOCC1)C1CC1 ZINC001573660269 948019588 /nfs/dbraw/zinc/01/95/88/948019588.db2.gz ZDHNNKDUXKRKMV-LBPRGKRZSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573670342 948101656 /nfs/dbraw/zinc/10/16/56/948101656.db2.gz AYVKKARVASQFHA-KSSFIOAISA-N 1 0 377.452 1.756 20 0 GDADRO Cn1cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360219 948118923 /nfs/dbraw/zinc/11/89/23/948118923.db2.gz BTXNGZURYZTESB-AWEZNQCLSA-N 1 0 394.483 1.745 20 0 GDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573677994 948145057 /nfs/dbraw/zinc/14/50/57/948145057.db2.gz ZPSRREXGPOFFJM-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001573680702 948185763 /nfs/dbraw/zinc/18/57/63/948185763.db2.gz RIWAROQFXJOOIQ-CABCVRRESA-N 1 0 386.504 1.467 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC001573681014 948194348 /nfs/dbraw/zinc/19/43/48/948194348.db2.gz RPWIDPLBZSMTIY-SWLSCSKDSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)c1cnn(C)c1 ZINC001573681441 948203422 /nfs/dbraw/zinc/20/34/22/948203422.db2.gz WYBOCPMLHPPKIV-NWDGAFQWSA-N 1 0 388.501 1.402 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[nH]n2)nc1)[NH+]1CCCCCC1 ZINC001573681643 948211172 /nfs/dbraw/zinc/21/11/72/948211172.db2.gz YHQDSKYMWXAUSK-LSDHHAIUSA-N 1 0 386.504 1.467 20 0 GDADRO O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000826397767 948211474 /nfs/dbraw/zinc/21/14/74/948211474.db2.gz KIYGUZFXEPNETA-LJQANCHMSA-N 1 0 392.463 1.635 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCCC1 ZINC001573681882 948216538 /nfs/dbraw/zinc/21/65/38/948216538.db2.gz YJWFJRQDUMPUFY-BLLLJJGKSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCCC1 ZINC001573681897 948217577 /nfs/dbraw/zinc/21/75/77/948217577.db2.gz YOHYPPPGKPIFRX-WFASDCNBSA-N 1 0 390.463 1.399 20 0 GDADRO CC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001573439665 948249438 /nfs/dbraw/zinc/24/94/38/948249438.db2.gz OIVJZRKUCZXXCH-MRXNPFEDSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573692678 948271485 /nfs/dbraw/zinc/27/14/85/948271485.db2.gz QIIZUXURXCSWKS-YPMHNXCESA-N 1 0 378.452 1.255 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826431819 948283041 /nfs/dbraw/zinc/28/30/41/948283041.db2.gz LHYVWYALYIEPBI-KZNAEPCWSA-N 1 0 397.483 1.576 20 0 GDADRO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C1CCC1 ZINC001573694642 948295524 /nfs/dbraw/zinc/29/55/24/948295524.db2.gz CRMDXVOGXKVTPH-XIKOKIGWSA-N 1 0 390.513 1.417 20 0 GDADRO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001573695565 948307112 /nfs/dbraw/zinc/30/71/12/948307112.db2.gz HGSGXLQAIOALHZ-VBKZILBWSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573695884 948312157 /nfs/dbraw/zinc/31/21/57/948312157.db2.gz YQVWZBZUYIHYNH-ABAIWWIYSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001573696173 948318373 /nfs/dbraw/zinc/31/83/73/948318373.db2.gz LSGQSGGBGQRJPB-VBKZILBWSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573703573 948356977 /nfs/dbraw/zinc/35/69/77/948356977.db2.gz LBVJICKADIPHFU-CABCVRRESA-N 1 0 392.467 1.793 20 0 GDADRO O=C1[C@H]([N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476088 948377267 /nfs/dbraw/zinc/37/72/67/948377267.db2.gz AMOPMHIZUBSURL-BLIXFSHQSA-N 1 0 396.495 1.989 20 0 GDADRO O=C1[C@H]([NH+]2CCC(c3nnc[nH]3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476356 948380115 /nfs/dbraw/zinc/38/01/15/948380115.db2.gz GCALQLSEJFNRAH-MRXNPFEDSA-N 1 0 393.455 1.360 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+]CCOC[C@H]2CCCO2)CC1 ZINC000826514167 948438712 /nfs/dbraw/zinc/43/87/12/948438712.db2.gz JGWLENSPQUXAFV-LJQANCHMSA-N 1 0 386.500 1.616 20 0 GDADRO C[C@H](C(=O)NCC[C@H](C)Nc1cncc(-c2nn[nH]n2)n1)[NH+]1CCCCCC1 ZINC001573716289 948498743 /nfs/dbraw/zinc/49/87/43/948498743.db2.gz GACBDTPDILKCCJ-UONOGXRCSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@H](C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccn1 ZINC001573719667 948526617 /nfs/dbraw/zinc/52/66/17/948526617.db2.gz MPLGDIOHXIQTRO-GFCCVEGCSA-N 1 0 386.485 1.467 20 0 GDADRO CC(F)(F)C1(C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001575222802 948762220 /nfs/dbraw/zinc/76/22/20/948762220.db2.gz KMBPOYMOXPQDFO-LLVKDONJSA-N 1 0 377.399 1.522 20 0 GDADRO CC(C)c1ccc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 ZINC001574416784 948763626 /nfs/dbraw/zinc/76/36/26/948763626.db2.gz IBCPNKZANGERMR-INIZCTEOSA-N 1 0 383.456 1.199 20 0 GDADRO CC(C)[C@@H](F)C(=O)NCCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574080139 948785328 /nfs/dbraw/zinc/78/53/28/948785328.db2.gz ICKNHJZWTWDCQK-MRXNPFEDSA-N 1 0 375.452 1.979 20 0 GDADRO C[C@@H](CNC(=O)CCc1cn[nH]c1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574916692 948786472 /nfs/dbraw/zinc/78/64/72/948786472.db2.gz HOJZBBMBSYOULV-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO CC(F)(F)CC(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001575224493 948788592 /nfs/dbraw/zinc/78/85/92/948788592.db2.gz OHBFLMIHYIOEKW-NEPJUHHUSA-N 1 0 377.399 1.592 20 0 GDADRO CC(C)c1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574419950 948791170 /nfs/dbraw/zinc/79/11/70/948791170.db2.gz LMWPJMYCZZKPLC-CYBMUJFWSA-N 1 0 382.472 1.964 20 0 GDADRO C[C@H](CNC(=O)CCCn1cccn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574917743 948825284 /nfs/dbraw/zinc/82/52/84/948825284.db2.gz AKXZEMYGLVYIKO-OAHLLOKOSA-N 1 0 382.472 1.480 20 0 GDADRO CC(F)(F)CC(=O)N1CC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001575227098 948825348 /nfs/dbraw/zinc/82/53/48/948825348.db2.gz RWNRHJUCEQEROC-KRWDZBQOSA-N 1 0 377.399 1.736 20 0 GDADRO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001574917957 948832244 /nfs/dbraw/zinc/83/22/44/948832244.db2.gz DFTOFDGGFIJAIB-OAHLLOKOSA-N 1 0 386.504 1.469 20 0 GDADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001574082228 948850829 /nfs/dbraw/zinc/85/08/29/948850829.db2.gz CGZBHVXTUJAEKW-RVKKMQEKSA-N 1 0 384.484 1.680 20 0 GDADRO CC(C)c1ccsc1C(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574424550 948851878 /nfs/dbraw/zinc/85/18/78/948851878.db2.gz PNMYCBCWYJLMAB-NSHDSACASA-N 1 0 387.469 1.071 20 0 GDADRO C[C@H](CNC(=O)CCCc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574918632 948853502 /nfs/dbraw/zinc/85/35/02/948853502.db2.gz PELWQAXKSDURTF-OAHLLOKOSA-N 1 0 379.468 1.879 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574918607 948856836 /nfs/dbraw/zinc/85/68/36/948856836.db2.gz OQBLYITZIMQGAN-AWEZNQCLSA-N 1 0 391.545 1.741 20 0 GDADRO CC(C)(C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573764598 948890298 /nfs/dbraw/zinc/89/02/98/948890298.db2.gz OVUJIFDNMDUBGP-CQSZACIVSA-N 1 0 384.488 1.539 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574432508 948937139 /nfs/dbraw/zinc/93/71/39/948937139.db2.gz LQTIOCHBXRLOIC-HNNXBMFYSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574688618 948962235 /nfs/dbraw/zinc/96/22/35/948962235.db2.gz WBDVHQZKYRJOSM-CQSZACIVSA-N 1 0 384.488 1.444 20 0 GDADRO C[C@H](CNC(=O)C[NH+]1CCCC1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574925611 948978089 /nfs/dbraw/zinc/97/80/89/948978089.db2.gz BNRSDXCRWRDCMN-SECBINFHSA-N 1 0 384.897 1.013 20 0 GDADRO CC(C)[N@@H+](C)CC(=O)NC[C@H](C)CNc1snc(Cl)c1-c1nn[nH]n1 ZINC001574925995 948980439 /nfs/dbraw/zinc/98/04/39/948980439.db2.gz FYEHLCLLBDVVEX-VIFPVBQESA-N 1 0 386.913 1.481 20 0 GDADRO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C1CC1 ZINC001573774491 949006765 /nfs/dbraw/zinc/00/67/65/949006765.db2.gz SNFDKNVAKAXEFR-DLBZAZTESA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574692769 949040314 /nfs/dbraw/zinc/04/03/14/949040314.db2.gz BXZGHYNACFUMPB-CYBMUJFWSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@H](Oc1cccnc1)C(=O)NCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575503476 949049817 /nfs/dbraw/zinc/04/98/17/949049817.db2.gz QBCSQIIVHSSTHW-LBPRGKRZSA-N 1 0 385.403 1.074 20 0 GDADRO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C(F)(F)F ZINC001575248506 949073013 /nfs/dbraw/zinc/07/30/13/949073013.db2.gz SUTZIRRMEBDINZ-YGOYTEALSA-N 1 0 389.357 1.535 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)C(F)F ZINC001573780237 949084236 /nfs/dbraw/zinc/08/42/36/949084236.db2.gz UCKXBORJNJPUBG-QKDCVEJESA-N 1 0 390.438 1.952 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001574694718 949092242 /nfs/dbraw/zinc/09/22/42/949092242.db2.gz VFAWBYXFIWJAPP-RISCZKNCSA-N 1 0 378.456 1.246 20 0 GDADRO CC(C)c1nocc1C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574442715 949099422 /nfs/dbraw/zinc/09/94/22/949099422.db2.gz RQIBPHPCOFBSPX-UHFFFAOYSA-N 1 0 387.419 1.979 20 0 GDADRO C[C@H](CNC(=O)COCC1CCCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574931171 949114003 /nfs/dbraw/zinc/11/40/03/949114003.db2.gz OCZYRZVQODMGMY-CYBMUJFWSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](CNC(=O)COCc1ccncc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574931077 949114200 /nfs/dbraw/zinc/11/42/00/949114200.db2.gz NEYZQFCQLRIKPB-CQSZACIVSA-N 1 0 381.440 1.073 20 0 GDADRO C[C@@H](CNC(=O)COCc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574931349 949118094 /nfs/dbraw/zinc/11/80/94/949118094.db2.gz OQFJHMQOTXUHND-AWEZNQCLSA-N 1 0 381.440 1.073 20 0 GDADRO C[C@@H](CNC(=O)COc1cccc(Cl)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934291 949154381 /nfs/dbraw/zinc/15/43/81/949154381.db2.gz DKQFEMPVBFWIKI-NSHDSACASA-N 1 0 387.831 1.333 20 0 GDADRO C[C@H](c1cnccn1)[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514576 949167890 /nfs/dbraw/zinc/16/78/90/949167890.db2.gz DAFJLLSWDWDNBP-CHWSQXEVSA-N 1 0 381.444 1.140 20 0 GDADRO CC(C)c1ocnc1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574447688 949170192 /nfs/dbraw/zinc/17/01/92/949170192.db2.gz XRACQWLKWCLUAU-HAQNSBGRSA-N 1 0 382.428 1.416 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C(C)(C)C1CCOCC1 ZINC001575253155 949182948 /nfs/dbraw/zinc/18/29/48/949182948.db2.gz SSNSJCGYGBYICN-OLZOCXBDSA-N 1 0 387.488 1.442 20 0 GDADRO C[C@H](CNC(=O)COc1ccsc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574935114 949194975 /nfs/dbraw/zinc/19/49/75/949194975.db2.gz ZIUOILIQJDKASE-LLVKDONJSA-N 1 0 390.444 1.741 20 0 GDADRO CC(C)c1oncc1C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574451157 949215762 /nfs/dbraw/zinc/21/57/62/949215762.db2.gz FFIGPJAJKHPWKK-LBPRGKRZSA-N 1 0 382.428 1.629 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574698935 949218211 /nfs/dbraw/zinc/21/82/11/949218211.db2.gz QERSJCDNHWINLZ-NEPJUHHUSA-N 1 0 378.502 1.680 20 0 GDADRO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575516986 949224474 /nfs/dbraw/zinc/22/44/74/949224474.db2.gz SIOCVZLUDJHGQS-QWHCGFSZSA-N 1 0 381.444 1.330 20 0 GDADRO CC(C)c1scnc1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574451327 949227798 /nfs/dbraw/zinc/22/77/98/949227798.db2.gz MNRGIDIRWSXROR-NSHDSACASA-N 1 0 384.469 1.590 20 0 GDADRO CC(C)(C)C(=O)N1CCC(O)(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001573791978 949235814 /nfs/dbraw/zinc/23/58/14/949235814.db2.gz JCOMCPIGDHICCW-UHFFFAOYSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574938377 949240914 /nfs/dbraw/zinc/24/09/14/949240914.db2.gz UNQBUOCKPTVLAJ-OIISXLGYSA-N 1 0 391.479 1.869 20 0 GDADRO CC(C)c1oncc1C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574451785 949242688 /nfs/dbraw/zinc/24/26/88/949242688.db2.gz YOFOBJXQIMURJI-UHFFFAOYSA-N 1 0 382.428 1.416 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(C)CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574701552 949265557 /nfs/dbraw/zinc/26/55/57/949265557.db2.gz BSHMXOZQEXBFIQ-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](CCO)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573792818 949267515 /nfs/dbraw/zinc/26/75/15/949267515.db2.gz WBKJKLICJMCBJX-QGZVFWFLSA-N 1 0 386.500 1.698 20 0 GDADRO CC(C)n1cc(C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001574452978 949275429 /nfs/dbraw/zinc/27/54/29/949275429.db2.gz UGSFUYKUAFWEBB-CYBMUJFWSA-N 1 0 381.444 1.035 20 0 GDADRO CC(C)CC(=O)N1CCC[C@H]([N@H+](CCO)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574107453 949281867 /nfs/dbraw/zinc/28/18/67/949281867.db2.gz JSXMXHUNZYLUBG-SFHVURJKSA-N 1 0 386.500 1.698 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(F)CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574702656 949289025 /nfs/dbraw/zinc/28/90/25/949289025.db2.gz KBFQPRFDTDRZHL-DIFFPNOSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574702823 949294925 /nfs/dbraw/zinc/29/49/25/949294925.db2.gz MIMUCGVFJOOYMA-ORAYPTAESA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H](C)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cn1 ZINC001574454961 949296609 /nfs/dbraw/zinc/29/66/09/949296609.db2.gz JDSWZHUYGPNOAW-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574703014 949303167 /nfs/dbraw/zinc/30/31/67/949303167.db2.gz OWSQPJUXNKBSOU-NSHDSACASA-N 1 0 376.440 1.144 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(F)CCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574703393 949327509 /nfs/dbraw/zinc/32/75/09/949327509.db2.gz VRBGZTFUDGUODT-APPDUMDISA-N 1 0 380.399 1.071 20 0 GDADRO CC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573796029 949330717 /nfs/dbraw/zinc/33/07/17/949330717.db2.gz QLHTYKLBUJOLGT-CYBMUJFWSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574942173 949335936 /nfs/dbraw/zinc/33/59/36/949335936.db2.gz XCFQDTPKWPCNSS-LLVKDONJSA-N 1 0 387.394 1.724 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C2CC2)n1 ZINC001574460170 949370726 /nfs/dbraw/zinc/37/07/26/949370726.db2.gz RJFCXXXVOJMGKB-MRXNPFEDSA-N 1 0 383.460 1.270 20 0 GDADRO C[C@H](NC(=O)C1CCOCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575262820 949384381 /nfs/dbraw/zinc/38/43/81/949384381.db2.gz CJRYDXFYFLKAKK-NSHDSACASA-N 1 0 376.486 1.291 20 0 GDADRO C[C@@H](CNC(=O)Cc1cscn1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574944354 949391489 /nfs/dbraw/zinc/39/14/89/949391489.db2.gz AYEBIAKFLYZINH-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575263589 949404224 /nfs/dbraw/zinc/40/42/24/949404224.db2.gz IHGXMEXCOGBAQP-GHMZBOCLSA-N 1 0 383.378 1.935 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574704846 949409528 /nfs/dbraw/zinc/40/95/28/949409528.db2.gz FFTLUFZDASFPNP-ZFWWWQNUSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)Cc1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574945816 949421345 /nfs/dbraw/zinc/42/13/45/949421345.db2.gz OZFZNMUMPNDLPU-SNVBAGLBSA-N 1 0 375.433 1.299 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575534186 949422652 /nfs/dbraw/zinc/42/26/52/949422652.db2.gz KWTYULDANOKHCT-ORAYPTAESA-N 1 0 388.447 1.371 20 0 GDADRO C[C@H](CNC(=O)Cc1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574947058 949444298 /nfs/dbraw/zinc/44/42/98/949444298.db2.gz YUMVLRAFBRTHFR-SNVBAGLBSA-N 1 0 375.433 1.299 20 0 GDADRO CC(C)n1nccc1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574467974 949449056 /nfs/dbraw/zinc/44/90/56/949449056.db2.gz BTUZUYZBGZIGEJ-INIZCTEOSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@]1(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCOC1 ZINC001575535774 949455042 /nfs/dbraw/zinc/45/50/42/949455042.db2.gz AZSOQQYDBRDKJS-FQEVSTJZSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574707640 949470190 /nfs/dbraw/zinc/47/01/90/949470190.db2.gz PIZVUMORIORKGO-GWCFXTLKSA-N 1 0 378.868 1.268 20 0 GDADRO C[C@H](CNC(=O)Cn1cc(Cl)cn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574948770 949472421 /nfs/dbraw/zinc/47/24/21/949472421.db2.gz MOEYBMKDAWRWKX-GFCCVEGCSA-N 1 0 388.863 1.353 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574707683 949474172 /nfs/dbraw/zinc/47/41/72/949474172.db2.gz QCKUHBSBSRSADF-WBMJQRKESA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCCOCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574707888 949481193 /nfs/dbraw/zinc/48/11/93/949481193.db2.gz ROJAYFOATKSUTI-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001574708839 949497220 /nfs/dbraw/zinc/49/72/20/949497220.db2.gz XPAQXMURNFXKJV-CQSZACIVSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1COc2ccccc21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574710742 949512322 /nfs/dbraw/zinc/51/23/22/949512322.db2.gz APUDUYVVTPCANN-KDOFPFPSSA-N 1 0 392.463 1.979 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575538193 949516293 /nfs/dbraw/zinc/51/62/93/949516293.db2.gz DRUSJHWCZMGGKT-KXBFYZLASA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575871841 949519247 /nfs/dbraw/zinc/51/92/47/949519247.db2.gz CJWPWTMMZUSEKD-CZUORRHYSA-N 1 0 384.488 1.077 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001574471131 949528749 /nfs/dbraw/zinc/52/87/49/949528749.db2.gz ZYGSGJHLXADQHA-VQFNDLOPSA-N 1 0 392.467 1.504 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@]3(CCN(c4cc[nH+]cc4-c4nn[nH]n4)C3)C2)CCOC1 ZINC001575538907 949539110 /nfs/dbraw/zinc/53/91/10/949539110.db2.gz KXCNJLQUBLUDEI-RTBURBONSA-N 1 0 383.456 1.117 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575872177 949540094 /nfs/dbraw/zinc/54/00/94/949540094.db2.gz HDCVZYVPPHVLQD-DZGCQCFKSA-N 1 0 384.488 1.220 20 0 GDADRO C[C@@H](NC(=O)C[C@@H]1CCCO1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575269302 949546386 /nfs/dbraw/zinc/54/63/86/949546386.db2.gz SUYXLXMLGRVLOZ-WBMJQRKESA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@H](NC(=O)C[C@@H]1CCCCO1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269870 949567252 /nfs/dbraw/zinc/56/72/52/949567252.db2.gz XESYNQUJROMFOU-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cc[nH]n1 ZINC001573810817 949580048 /nfs/dbraw/zinc/58/00/48/949580048.db2.gz DKHUERSDJIXLKY-MRXNPFEDSA-N 1 0 382.472 1.453 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cncnc1 ZINC001573810890 949583059 /nfs/dbraw/zinc/58/30/59/949583059.db2.gz FITRJDFVVMGDIA-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573811265 949594811 /nfs/dbraw/zinc/59/48/11/949594811.db2.gz ITRJJSOWNCDRNK-VVLHAWIVSA-N 1 0 384.484 1.380 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCOC1 ZINC001573811308 949596311 /nfs/dbraw/zinc/59/63/11/949596311.db2.gz JVUPVLGXGNRBSY-BLLLJJGKSA-N 1 0 390.463 1.663 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCCOC1 ZINC001575546891 949617682 /nfs/dbraw/zinc/61/76/82/949617682.db2.gz SSJZVEKTAAJAMY-PXNSSMCTSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575876750 949652984 /nfs/dbraw/zinc/65/29/84/949652984.db2.gz XZNNAUATYGCXBV-YPMHNXCESA-N 1 0 378.502 1.558 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOC1 ZINC001575548105 949655256 /nfs/dbraw/zinc/65/52/56/949655256.db2.gz RBNXWBKLDUVUQW-AUUYWEPGSA-N 1 0 388.447 1.513 20 0 GDADRO CC(C)[C@@H](C(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nn[nH]n2)s1)[NH+](C)C ZINC001574958220 949660309 /nfs/dbraw/zinc/66/03/09/949660309.db2.gz OMPQLJLAFYHIHY-IUCAKERBSA-N 1 0 386.913 1.479 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574958317 949665747 /nfs/dbraw/zinc/66/57/47/949665747.db2.gz IRPAKVCCDVVCLY-MDRZDLKXSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@H]1[C@@H](NC(=O)CCCC(N)=O)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575877772 949672248 /nfs/dbraw/zinc/67/22/48/949672248.db2.gz MYAUFELJQZOJDB-AAEUAGOBSA-N 1 0 391.501 1.053 20 0 GDADRO C[C@H](CC(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)c1ccncc1 ZINC001574477724 949676156 /nfs/dbraw/zinc/67/61/56/949676156.db2.gz UMLSKHGVNCURKU-CQSZACIVSA-N 1 0 380.456 1.745 20 0 GDADRO C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575273886 949676967 /nfs/dbraw/zinc/67/69/67/949676967.db2.gz YPHVZEATORARNQ-OLZOCXBDSA-N 1 0 390.467 1.582 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574716134 949682170 /nfs/dbraw/zinc/68/21/70/949682170.db2.gz MYXUFKMWQDYARU-BLVKFPJESA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574716775 949709776 /nfs/dbraw/zinc/70/97/76/949709776.db2.gz LVNAZOHPSJMGDG-VIFPVBQESA-N 1 0 386.913 1.577 20 0 GDADRO C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001574478427 949710127 /nfs/dbraw/zinc/71/01/27/949710127.db2.gz ZDZLKKVIPVZSGC-MAUKXSAKSA-N 1 0 386.500 1.962 20 0 GDADRO CC1(C(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C2CC2)CCOCC1 ZINC001575558005 949725242 /nfs/dbraw/zinc/72/52/42/949725242.db2.gz MFSYUUKGEASABQ-KRWDZBQOSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574717852 949751238 /nfs/dbraw/zinc/75/12/38/949751238.db2.gz QVZCTTSGXOLJMS-DZGCQCFKSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](CNC(=O)c1c(F)ccc(F)c1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574964928 949791351 /nfs/dbraw/zinc/79/13/51/949791351.db2.gz CCMUWEROBYXISK-QMMMGPOBSA-N 1 0 377.330 1.331 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574720646 949800226 /nfs/dbraw/zinc/80/02/26/949800226.db2.gz FIDASKDXBVDPHI-CYBMUJFWSA-N 1 0 383.431 1.714 20 0 GDADRO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574965698 949811345 /nfs/dbraw/zinc/81/13/45/949811345.db2.gz JOCQVMVJCCZNMV-FXHACXQTSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575561783 949815362 /nfs/dbraw/zinc/81/53/62/949815362.db2.gz CKFFKEOFPIAKHZ-FXAWDEMLSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)C[C@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574139523 949818725 /nfs/dbraw/zinc/81/87/25/949818725.db2.gz KCQNXHUJVGRUMK-DZGCQCFKSA-N 1 0 377.493 1.242 20 0 GDADRO C[C@H](CNC(=O)c1c(Cl)cnn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574965842 949820283 /nfs/dbraw/zinc/82/02/83/949820283.db2.gz NHNPUZJDNCFQIC-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574965883 949821253 /nfs/dbraw/zinc/82/12/53/949821253.db2.gz NZDMAHBEVUKZCE-ZTQAJYAQSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)C[C@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574139937 949826187 /nfs/dbraw/zinc/82/61/87/949826187.db2.gz LQCDAVGRTJTXEL-ZFWWWQNUSA-N 1 0 377.493 1.242 20 0 GDADRO C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574966326 949844446 /nfs/dbraw/zinc/84/44/46/949844446.db2.gz XEGPPDSKYXAQGM-LBPRGKRZSA-N 1 0 382.472 1.795 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1F)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001575283639 949879327 /nfs/dbraw/zinc/87/93/27/949879327.db2.gz GIZLJWHJTTUGBD-NWDGAFQWSA-N 1 0 392.483 1.684 20 0 GDADRO C[C@@H](CN(C)C(=O)CCn1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574725014 949889019 /nfs/dbraw/zinc/88/90/19/949889019.db2.gz NFVURPUNWZOEAB-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1cn[nH]c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574725081 949892082 /nfs/dbraw/zinc/89/20/82/949892082.db2.gz PCBYLLZYLRCDHJ-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575284167 949895673 /nfs/dbraw/zinc/89/56/73/949895673.db2.gz HYJSWGRMVFBYNA-LSDHHAIUSA-N 1 0 386.504 1.323 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ncccn2)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576179012 949907290 /nfs/dbraw/zinc/90/72/90/949907290.db2.gz JKZGIKONQDPGEB-RHSMWYFYSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ncccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574725908 949914701 /nfs/dbraw/zinc/91/47/01/949914701.db2.gz VSDVNTBDDATHKM-GFCCVEGCSA-N 1 0 386.485 1.288 20 0 GDADRO C[C@H](CN(C)C(=O)CCn1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574726054 949925780 /nfs/dbraw/zinc/92/57/80/949925780.db2.gz XIHSYCZIMORGHO-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1nccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574726219 949928969 /nfs/dbraw/zinc/92/89/69/949928969.db2.gz XUADOQLJOKQRQD-GFCCVEGCSA-N 1 0 388.501 1.231 20 0 GDADRO CC1(C(=O)NC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CCOCC1 ZINC001575570617 949944191 /nfs/dbraw/zinc/94/41/91/949944191.db2.gz TWUYKYZWVJDGIK-UHFFFAOYSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H](CN(C)C(=O)COCC(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574726836 949944457 /nfs/dbraw/zinc/94/44/57/949944457.db2.gz LSSREEZAENYMAX-SNVBAGLBSA-N 1 0 386.378 1.224 20 0 GDADRO CC(C)(C)CC(=O)N1CCC(O)(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573829712 949959610 /nfs/dbraw/zinc/95/96/10/949959610.db2.gz CMFJJXQNWAIKBZ-UHFFFAOYSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@@H](CN(C)C(=O)COc1ccsc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574727457 949966314 /nfs/dbraw/zinc/96/63/14/949966314.db2.gz TUZOJBVKHIKLQS-ZDUSSCGKSA-N 1 0 386.481 1.944 20 0 GDADRO CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCCC1 ZINC001575572063 949969235 /nfs/dbraw/zinc/96/92/35/949969235.db2.gz CWNDRQUZFKWRSO-AWEZNQCLSA-N 1 0 390.463 1.543 20 0 GDADRO C[C@H](CN(C)C(=O)COc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574727640 949974613 /nfs/dbraw/zinc/97/46/13/949974613.db2.gz WSARHBZFURYZOU-CYBMUJFWSA-N 1 0 386.481 1.944 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575287046 949993694 /nfs/dbraw/zinc/99/36/94/949993694.db2.gz ZWUJORHLDUVWSZ-GJZGRUSLSA-N 1 0 386.504 1.323 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576181357 950000561 /nfs/dbraw/zinc/00/05/61/950000561.db2.gz LWPCZRIDYOSJAS-GUYCJALGSA-N 1 0 380.456 1.620 20 0 GDADRO CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001573834098 950013678 /nfs/dbraw/zinc/01/36/78/950013678.db2.gz FYCMIOQJOMOKLU-STQMWFEESA-N 1 0 378.502 1.416 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001576181771 950017871 /nfs/dbraw/zinc/01/78/71/950017871.db2.gz JLAABZGGNLLZNT-GOEBONIOSA-N 1 0 386.504 1.498 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cccnn2)[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576181829 950024059 /nfs/dbraw/zinc/02/40/59/950024059.db2.gz MRGNGQMBQQFWFO-KSSFIOAISA-N 1 0 392.467 1.687 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1ncc[nH]1 ZINC001574150317 950025539 /nfs/dbraw/zinc/02/55/39/950025539.db2.gz BGJYHJACGJIQCP-GFCCVEGCSA-N 1 0 388.501 1.515 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@]1(C)CCOC1 ZINC001574150675 950035550 /nfs/dbraw/zinc/03/55/50/950035550.db2.gz DGEWQICRNNGROI-FXAWDEMLSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574730950 950044325 /nfs/dbraw/zinc/04/43/25/950044325.db2.gz TXWWWFBLHUFAQB-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnns1 ZINC001574151069 950055195 /nfs/dbraw/zinc/05/51/95/950055195.db2.gz KMLVAWYKUGCYEY-SNVBAGLBSA-N 1 0 392.514 1.714 20 0 GDADRO CC1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CCC2)CCOCC1 ZINC001575575892 950062000 /nfs/dbraw/zinc/06/20/00/950062000.db2.gz MYBJOUCPNSIRIN-UHFFFAOYSA-N 1 0 390.513 1.873 20 0 GDADRO CC(C)C[C@H](C[NH2+][C@@H](C)c1cnccn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151264 950063090 /nfs/dbraw/zinc/06/30/90/950063090.db2.gz OIQFAMLHRXHICQ-GXTWGEPZSA-N 1 0 383.460 1.480 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](O)C(C)C ZINC001574151422 950074649 /nfs/dbraw/zinc/07/46/49/950074649.db2.gz QYACQGKLSKXAFR-DOTOQJQBSA-N 1 0 392.479 1.643 20 0 GDADRO C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576183306 950083093 /nfs/dbraw/zinc/08/30/93/950083093.db2.gz PDXLGJRYPCOZGY-GJZGRUSLSA-N 1 0 386.504 1.500 20 0 GDADRO C[C@]1(C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CCCC2)CCOC1 ZINC001575577505 950085027 /nfs/dbraw/zinc/08/50/27/950085027.db2.gz VYXNAYXNTSHAMO-IBGZPJMESA-N 1 0 384.484 1.812 20 0 GDADRO CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCCCC1 ZINC001575577967 950091289 /nfs/dbraw/zinc/09/12/89/950091289.db2.gz ZLYQWWJHAPPSCS-ZDUSSCGKSA-N 1 0 392.529 1.855 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccon1 ZINC001574151800 950092665 /nfs/dbraw/zinc/09/26/65/950092665.db2.gz YKTQSQWYQXHZME-CYBMUJFWSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574152494 950109076 /nfs/dbraw/zinc/10/90/76/950109076.db2.gz DOCDAUAUXFCWPC-GOEBONIOSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574733968 950121936 /nfs/dbraw/zinc/12/19/36/950121936.db2.gz IEBFLUHKUMCAGB-VHDGCEQUSA-N 1 0 378.440 1.141 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576184436 950128836 /nfs/dbraw/zinc/12/88/36/950128836.db2.gz WJJUOZXLHNJVCZ-DYVFJYSZSA-N 1 0 381.440 1.885 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576184595 950134349 /nfs/dbraw/zinc/13/43/49/950134349.db2.gz WSHJBJBOTBYXGI-GUYCJALGSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575896820 950135484 /nfs/dbraw/zinc/13/54/84/950135484.db2.gz NRXGOMSWJKCJNC-SMDDNHRTSA-N 1 0 386.485 1.445 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1ccon1 ZINC001574153302 950138752 /nfs/dbraw/zinc/13/87/52/950138752.db2.gz RCKDVOUXEKFZBF-INIZCTEOSA-N 1 0 383.456 1.718 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2ccnnc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575897623 950140636 /nfs/dbraw/zinc/14/06/36/950140636.db2.gz PILKUZANSIJMHJ-CXAGYDPISA-N 1 0 378.440 1.440 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cnsn1 ZINC001574153763 950151585 /nfs/dbraw/zinc/15/15/85/950151585.db2.gz WWFKYCVSCQBAOQ-ZDUSSCGKSA-N 1 0 386.485 1.653 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ccnnc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575898224 950152282 /nfs/dbraw/zinc/15/22/82/950152282.db2.gz RXSIFLDBERNCII-DYVFJYSZSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C[NH2+]Cc1ccccn1 ZINC001576190669 950168500 /nfs/dbraw/zinc/16/85/00/950168500.db2.gz CTHWYLZFJADFQC-UKRRQHHQSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575584388 950171100 /nfs/dbraw/zinc/17/11/00/950171100.db2.gz QISHVFPCAKJTOZ-JBAZFKOSSA-N 1 0 388.447 1.417 20 0 GDADRO CC1CC[NH+](CC(=O)N(C)C2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001576190882 950176035 /nfs/dbraw/zinc/17/60/35/950176035.db2.gz CIXDKBABCZJVNM-UHFFFAOYSA-N 1 0 383.500 1.241 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC001574982774 950183784 /nfs/dbraw/zinc/18/37/84/950183784.db2.gz GTYSTRWEKWNGLV-ZDUSSCGKSA-N 1 0 391.439 1.289 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575899909 950185787 /nfs/dbraw/zinc/18/57/87/950185787.db2.gz AWVLAYYCCSNFGR-YGRLFVJLSA-N 1 0 387.394 1.866 20 0 GDADRO CC(C)(C)CC[NH2+][C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573844630 950203250 /nfs/dbraw/zinc/20/32/50/950203250.db2.gz KWJUFPDDGJXFCK-GOSISDBHSA-N 1 0 375.477 1.188 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576191686 950205775 /nfs/dbraw/zinc/20/57/75/950205775.db2.gz HTNIQNJWWMKOAU-RDTXWAMCSA-N 1 0 392.467 1.545 20 0 GDADRO CC1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOCC1 ZINC001575585831 950206512 /nfs/dbraw/zinc/20/65/12/950206512.db2.gz DMQIHAGTVCXKFV-MRXNPFEDSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1ccco1 ZINC001575900899 950211951 /nfs/dbraw/zinc/21/19/51/950211951.db2.gz JCFIXAMUSRKTJE-SJCJKPOMSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001574739945 950212901 /nfs/dbraw/zinc/21/29/01/950212901.db2.gz ZWUKUFNSCWZIDT-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H]1[C@H]([NH2+]CCOc2ccccc2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901021 950216339 /nfs/dbraw/zinc/21/63/39/950216339.db2.gz JYWKKTXTUBTTHB-XJKSGUPXSA-N 1 0 381.440 1.466 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001574983538 950222577 /nfs/dbraw/zinc/22/25/77/950222577.db2.gz PEJHYYRIANRYQO-ZJUUUORDSA-N 1 0 385.432 1.172 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574740708 950228685 /nfs/dbraw/zinc/22/86/85/950228685.db2.gz FGIAVUMVOQRCHR-XDTLVQLUSA-N 1 0 382.390 1.844 20 0 GDADRO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573845621 950237629 /nfs/dbraw/zinc/23/76/29/950237629.db2.gz JOASAUOYKYSHRJ-YQQAZPJKSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC001574497799 950239827 /nfs/dbraw/zinc/23/98/27/950239827.db2.gz DITXQBGCYYZERY-BBRMVZONSA-N 1 0 384.440 1.220 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1ncc[nH]1 ZINC001575902017 950245185 /nfs/dbraw/zinc/24/51/85/950245185.db2.gz RNAFQXQVBKGJIR-XHDPSFHLSA-N 1 0 384.419 1.051 20 0 GDADRO CC1(C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575589178 950260119 /nfs/dbraw/zinc/26/01/19/950260119.db2.gz VOVSHXRGETVMBE-LLVKDONJSA-N 1 0 377.399 1.640 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1ccoc1 ZINC001575902696 950268691 /nfs/dbraw/zinc/26/86/91/950268691.db2.gz WXRWSZGBPMDDAO-YVEFUNNKSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)[C@@H]1CCCO1 ZINC001574498440 950276784 /nfs/dbraw/zinc/27/67/84/950276784.db2.gz NHOKJPBHJSGMFQ-JSGCOSHPSA-N 1 0 390.513 1.872 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575903228 950277408 /nfs/dbraw/zinc/27/74/08/950277408.db2.gz YZBPQBOVXJLVDB-BMIGLBTASA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001576193021 950283293 /nfs/dbraw/zinc/28/32/93/950283293.db2.gz QWTBQNPJXBCLJS-AWEZNQCLSA-N 1 0 386.504 1.500 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCc1c[nH]cn1 ZINC001575905767 950298913 /nfs/dbraw/zinc/29/89/13/950298913.db2.gz FEYBVOTUWXLYSE-RISCZKNCSA-N 1 0 386.485 1.363 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cccnn1 ZINC001575905714 950299295 /nfs/dbraw/zinc/29/92/95/950299295.db2.gz DQBYZGOHYPCIAX-IAQYHMDHSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1cnc[nH]1 ZINC001575905732 950300918 /nfs/dbraw/zinc/30/09/18/950300918.db2.gz DTQRRNYXLYQTNM-ZBEGNZNMSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccnnc1 ZINC001575906026 950303627 /nfs/dbraw/zinc/30/36/27/950303627.db2.gz GAOXRHXLVSXENV-BZNIZROVSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574743115 950311891 /nfs/dbraw/zinc/31/18/91/950311891.db2.gz RSNVNJFGFNXULA-IIMNLJJBSA-N 1 0 382.390 1.844 20 0 GDADRO CC(C)C[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574159750 950318178 /nfs/dbraw/zinc/31/81/78/950318178.db2.gz IBNHOJNBFIGQGU-ZBFHGGJFSA-N 1 0 388.520 1.791 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906970 950321781 /nfs/dbraw/zinc/32/17/81/950321781.db2.gz LFXLUDWVRBSIPD-ZUZCIYMTSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C2CC2)C1 ZINC001576193937 950324396 /nfs/dbraw/zinc/32/43/96/950324396.db2.gz WOXTVRMCDAOOAC-CXAGYDPISA-N 1 0 384.488 1.252 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cscn1 ZINC001575907384 950336405 /nfs/dbraw/zinc/33/64/05/950336405.db2.gz NUGKDRUWDWCBLJ-GXSJLCMTSA-N 1 0 375.483 1.778 20 0 GDADRO C[C@H](CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1ccnc1 ZINC001574501490 950337922 /nfs/dbraw/zinc/33/79/22/950337922.db2.gz DWNBQCJPVCAJGN-CQSZACIVSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1ccc[nH]1 ZINC001575907776 950341820 /nfs/dbraw/zinc/34/18/20/950341820.db2.gz QJTJZHCUXTZPNJ-PXAZEXFGSA-N 1 0 383.431 1.656 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cccnc1 ZINC001575908106 950350270 /nfs/dbraw/zinc/35/02/70/950350270.db2.gz AKGPTGAVUHESFC-KSSFIOAISA-N 1 0 377.452 1.583 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575908171 950355542 /nfs/dbraw/zinc/35/55/42/950355542.db2.gz ASJFRKHDAWZHFS-LRDDRELGSA-N 1 0 392.467 1.860 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(F)c2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575908315 950359148 /nfs/dbraw/zinc/35/91/48/950359148.db2.gz UHUXYAYTGMANJK-ZUZCIYMTSA-N 1 0 387.394 1.866 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCC[C@@H](Nc3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001576196411 950361447 /nfs/dbraw/zinc/36/14/47/950361447.db2.gz CQWLLISQQWOELM-MRXNPFEDSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(CO)ccc1F ZINC001574744731 950362669 /nfs/dbraw/zinc/36/26/69/950362669.db2.gz AANXQBKQUVSFFX-LLVKDONJSA-N 1 0 387.419 1.077 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575908787 950380102 /nfs/dbraw/zinc/38/01/02/950380102.db2.gz DWUHAQFLGGYGSV-GUYCJALGSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575909207 950389258 /nfs/dbraw/zinc/38/92/58/950389258.db2.gz GBTLOARVFRVDMW-SJKOYZFVSA-N 1 0 392.467 1.860 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575597014 950396218 /nfs/dbraw/zinc/39/62/18/950396218.db2.gz LAJQUTKQAGKRAO-WRWLIDTKSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575597297 950406586 /nfs/dbraw/zinc/40/65/86/950406586.db2.gz OGKNNZRXAHZSNQ-JCGVRSQUSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575597476 950411622 /nfs/dbraw/zinc/41/16/22/950411622.db2.gz QISHVFPCAKJTOZ-XFHNUULXSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001574991602 950411844 /nfs/dbraw/zinc/41/18/44/950411844.db2.gz PCAIENZSNXQOBH-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574503701 950419365 /nfs/dbraw/zinc/41/93/65/950419365.db2.gz YTSAURIDEJJRHB-HUUCEWRRSA-N 1 0 380.456 1.657 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)c3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576199186 950419538 /nfs/dbraw/zinc/41/95/38/950419538.db2.gz XCEDOSBNXWVZMB-ZIAGYGMSSA-N 1 0 387.463 1.385 20 0 GDADRO C[C@@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576199317 950424411 /nfs/dbraw/zinc/42/44/11/950424411.db2.gz YHRGLHCSHRLGTD-GDBMZVCRSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@@H](CCNC(=O)C[C@H](C)n1cccn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574506669 950440621 /nfs/dbraw/zinc/44/06/21/950440621.db2.gz BPOBIFMPLQHDQW-GJZGRUSLSA-N 1 0 382.472 1.699 20 0 GDADRO C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCCO1 ZINC001574507146 950451074 /nfs/dbraw/zinc/45/10/74/950451074.db2.gz DTCOEGWQRDUOBY-SUMWQHHRSA-N 1 0 390.463 1.759 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001576203731 950451193 /nfs/dbraw/zinc/45/11/93/950451193.db2.gz IWLQQEBJRSDEGE-HNNXBMFYSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574507435 950456590 /nfs/dbraw/zinc/45/65/90/950456590.db2.gz IWTLMEBCKOBMAS-KBPBESRZSA-N 1 0 382.472 1.388 20 0 GDADRO C[C@]1(C(=O)N[C@H]2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575605507 950468020 /nfs/dbraw/zinc/46/80/20/950468020.db2.gz JNBHPSLXRVYATL-NJSLBKSFSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(F)c2F)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575913756 950484012 /nfs/dbraw/zinc/48/40/12/950484012.db2.gz TTWUZICZPJNCLE-GXFFZTMASA-N 1 0 387.394 1.866 20 0 GDADRO CC1CC[NH+](CC(=O)NCC2(Nc3ncccc3-c3nn[nH]n3)CCC2)CC1 ZINC001576205011 950488352 /nfs/dbraw/zinc/48/83/52/950488352.db2.gz FOSLQGZUGXCXSX-UHFFFAOYSA-N 1 0 384.488 1.444 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574752847 950499078 /nfs/dbraw/zinc/49/90/78/950499078.db2.gz BEBYVGUFMAPHFL-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001576205467 950516988 /nfs/dbraw/zinc/51/69/88/950516988.db2.gz JRTVYDBAUOTVMT-AWEZNQCLSA-N 1 0 389.479 1.679 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574995727 950517538 /nfs/dbraw/zinc/51/75/38/950517538.db2.gz IDEIZZQMTBWFMP-GFCCVEGCSA-N 1 0 382.472 1.795 20 0 GDADRO C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574509815 950532528 /nfs/dbraw/zinc/53/25/28/950532528.db2.gz YMAZUBSSAVIGBY-DCAQKATOSA-N 1 0 383.378 1.579 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573867395 950532531 /nfs/dbraw/zinc/53/25/31/950532531.db2.gz YNULWXJIGUYIKQ-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc2n[nH]nc2c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574753748 950539334 /nfs/dbraw/zinc/53/93/34/950539334.db2.gz RHFURKANCMYQPM-LBPRGKRZSA-N 1 0 391.439 1.388 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574999405 950580286 /nfs/dbraw/zinc/58/02/86/950580286.db2.gz JBXOSBOXTOZDIG-JTQLQIEISA-N 1 0 388.382 1.502 20 0 GDADRO CC(C)(C)OCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573870100 950582664 /nfs/dbraw/zinc/58/26/64/950582664.db2.gz DIOJNPUIXJJYTM-UHFFFAOYSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576207124 950586460 /nfs/dbraw/zinc/58/64/60/950586460.db2.gz CQOBEBVMNZRGNJ-BZPMIXESSA-N 1 0 388.451 1.049 20 0 GDADRO CC(C)CCC(=O)N1CCO[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574173842 950607200 /nfs/dbraw/zinc/60/72/00/950607200.db2.gz NZZCDGPPFFZJAE-INIZCTEOSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[C@H](C)n1cccn1 ZINC001574513509 950608387 /nfs/dbraw/zinc/60/83/87/950608387.db2.gz RNXLWMADWFWFTO-OLZOCXBDSA-N 1 0 386.435 1.448 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001573871326 950614651 /nfs/dbraw/zinc/61/46/51/950614651.db2.gz NYBLFIBGZUCARC-CYBMUJFWSA-N 1 0 378.502 1.728 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[nH]n3)C[C@H]2C)C1 ZINC001576208734 950620463 /nfs/dbraw/zinc/62/04/63/950620463.db2.gz VEYCKVFBTZNCID-UMVBOHGHSA-N 1 0 387.463 1.289 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576209208 950620492 /nfs/dbraw/zinc/62/04/92/950620492.db2.gz YMKLLBPEJOGCJD-SHTZXODSSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccnc2ccnn21)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574758781 950621769 /nfs/dbraw/zinc/62/17/69/950621769.db2.gz HAUSFBPZTVOURI-ZDUSSCGKSA-N 1 0 391.439 1.160 20 0 GDADRO CC(C)(C)OCC(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573871568 950624295 /nfs/dbraw/zinc/62/42/95/950624295.db2.gz SJTOTARVCQAROT-UHFFFAOYSA-N 1 0 376.436 1.559 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)no1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575001473 950631089 /nfs/dbraw/zinc/63/10/89/950631089.db2.gz LCHHQWUSEWOWKO-QMMMGPOBSA-N 1 0 379.783 1.555 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574759391 950639525 /nfs/dbraw/zinc/63/95/25/950639525.db2.gz CBGRVWVIZLMEIN-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574517721 950644418 /nfs/dbraw/zinc/64/44/18/950644418.db2.gz LTGBXWJBUMCVPD-BPUTZDHNSA-N 1 0 380.456 1.451 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574517726 950645405 /nfs/dbraw/zinc/64/54/05/950645405.db2.gz LTGBXWJBUMCVPD-FVQBIDKESA-N 1 0 380.456 1.451 20 0 GDADRO C[C@H](CNC(=O)c1cc[nH]c(=O)c1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575005482 950684984 /nfs/dbraw/zinc/68/49/84/950684984.db2.gz GBGAGJBVLWHUQL-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575005483 950685686 /nfs/dbraw/zinc/68/56/86/950685686.db2.gz GBGAGJBVLWHUQL-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccc(N(C)C)c1 ZINC001575926386 950709445 /nfs/dbraw/zinc/70/94/45/950709445.db2.gz JQNWEDOMAKRPJN-SUMWQHHRSA-N 1 0 392.467 1.465 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926563 950713938 /nfs/dbraw/zinc/71/39/38/950713938.db2.gz KNPOXSGEHLZNRA-SJCJKPOMSA-N 1 0 391.435 1.429 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1occ2c1CCC2 ZINC001575927315 950738303 /nfs/dbraw/zinc/73/83/03/950738303.db2.gz OZTROQKUHSXWJJ-IAQYHMDHSA-N 1 0 379.424 1.480 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575927333 950740171 /nfs/dbraw/zinc/74/01/71/950740171.db2.gz PDMTZYLBGWQZCJ-WPRPVWTQSA-N 1 0 390.354 1.324 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnn(C(F)F)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574763967 950741032 /nfs/dbraw/zinc/74/10/32/950741032.db2.gz NXOOWZFIGDBBMS-NSHDSACASA-N 1 0 390.398 1.709 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927488 950742188 /nfs/dbraw/zinc/74/21/88/950742188.db2.gz PTLIRXNFBPPMMJ-WCBMZHEXSA-N 1 0 390.860 1.509 20 0 GDADRO CC1(C)CC(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575629740 950743173 /nfs/dbraw/zinc/74/31/73/950743173.db2.gz ROMYTOKUCRIWPR-AWEZNQCLSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574764657 950755333 /nfs/dbraw/zinc/75/53/33/950755333.db2.gz VQBWTBGVUWFRTQ-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576217059 950756132 /nfs/dbraw/zinc/75/61/32/950756132.db2.gz GOANQCAKSNUUMJ-CMPLNLGQSA-N 1 0 377.399 1.378 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576217715 950767324 /nfs/dbraw/zinc/76/73/24/950767324.db2.gz ITMXWWHBKVGKKN-MFKMUULPSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574765039 950775080 /nfs/dbraw/zinc/77/50/80/950775080.db2.gz CHQWMAFEJGXUBR-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1ncc[nH]1 ZINC001574521447 950778193 /nfs/dbraw/zinc/77/81/93/950778193.db2.gz GGELCSURKIJTMR-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCc1cn[nH]c1 ZINC001574522821 950797952 /nfs/dbraw/zinc/79/79/52/950797952.db2.gz LDOUTFVPUVYKCO-KBPBESRZSA-N 1 0 382.472 1.596 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575632501 950798791 /nfs/dbraw/zinc/79/87/91/950798791.db2.gz KBTYOMVYIIBMAW-LBPRGKRZSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cncs1 ZINC001574522840 950801504 /nfs/dbraw/zinc/80/15/04/950801504.db2.gz LINHWAUOMNXTIL-CHWSQXEVSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]cn1 ZINC001574523455 950814074 /nfs/dbraw/zinc/81/40/74/950814074.db2.gz NSKPBFHWGVPXLD-NWDGAFQWSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](CN(C)C(=O)c1conc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574766206 950815097 /nfs/dbraw/zinc/81/50/97/950815097.db2.gz LYILUPVNBRHLDS-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1ccc2c(c1)COC2 ZINC001575010588 950824060 /nfs/dbraw/zinc/82/40/60/950824060.db2.gz FZVFFPOLBAYSKY-LBPRGKRZSA-N 1 0 381.440 1.475 20 0 GDADRO CC(C)(C)c1n[nH]cc1C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573885559 950833268 /nfs/dbraw/zinc/83/32/68/950833268.db2.gz ZKZXZGBKAUFNEE-UHFFFAOYSA-N 1 0 388.501 1.859 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH]cn1 ZINC001574523903 950839516 /nfs/dbraw/zinc/83/95/16/950839516.db2.gz RXSIHOXRXJLWPG-VXGBXAGGSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001575011107 950842426 /nfs/dbraw/zinc/84/24/26/950842426.db2.gz MUGJFHWLVVLQRH-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576221340 950853293 /nfs/dbraw/zinc/85/32/93/950853293.db2.gz ZXWWEFXPXJADJS-MFKMUULPSA-N 1 0 379.415 1.624 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1cnn(C)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574524445 950855510 /nfs/dbraw/zinc/85/55/10/950855510.db2.gz WKOJJCUNIALMPC-KGLIPLIRSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001575934293 950857893 /nfs/dbraw/zinc/85/78/93/950857893.db2.gz RAWSQRGAQKJCOE-IAQYHMDHSA-N 1 0 388.451 1.286 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@@H](O)C1CCCCC1 ZINC001575012000 950872461 /nfs/dbraw/zinc/87/24/61/950872461.db2.gz VPWRISWIFMQOOV-MLGOLLRUSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CCOc1ccccc1F ZINC001575012321 950882445 /nfs/dbraw/zinc/88/24/45/950882445.db2.gz YSHGPFSSVQFBIW-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H](C[N@H+](C)C[C@@H](O)C1CCCCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574768307 950882973 /nfs/dbraw/zinc/88/29/73/950882973.db2.gz UEBAQPDXCFUWRY-BLLLJJGKSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H](C[N@H+](C)C[C@@H](O)C1CCCCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574768309 950885770 /nfs/dbraw/zinc/88/57/70/950885770.db2.gz UEBAQPDXCFUWRY-MLGOLLRUSA-N 1 0 375.477 1.186 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCO[C@@](C)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001575640064 950885994 /nfs/dbraw/zinc/88/59/94/950885994.db2.gz WUYMXPNDFAZQSM-IBGZPJMESA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccnn1C ZINC001574527725 950906875 /nfs/dbraw/zinc/90/68/75/950906875.db2.gz GNRWUVMLJDUBJC-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574527948 950915111 /nfs/dbraw/zinc/91/51/11/950915111.db2.gz IWAIHYAFJZHICF-NXEZZACHSA-N 1 0 388.457 1.111 20 0 GDADRO CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001573894156 950922910 /nfs/dbraw/zinc/92/29/10/950922910.db2.gz OAKZYBHJMBQXRM-JOCQHMNTSA-N 1 0 381.444 1.008 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1n[nH]cc1F ZINC001574528145 950928230 /nfs/dbraw/zinc/92/82/30/950928230.db2.gz LOEMNFRNJSCARI-NXEZZACHSA-N 1 0 390.398 1.555 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574528307 950934230 /nfs/dbraw/zinc/93/42/30/950934230.db2.gz MHDAOOZZGZPVAK-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]CCC1CCOCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529008 950946191 /nfs/dbraw/zinc/94/61/91/950946191.db2.gz PBQLQMYGUFSBAU-CHWSQXEVSA-N 1 0 375.477 1.498 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574772032 950952671 /nfs/dbraw/zinc/95/26/71/950952671.db2.gz OSCORBPXMYMLRD-YJYMSZOUSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cnns1 ZINC001574529971 950965673 /nfs/dbraw/zinc/96/56/73/950965673.db2.gz RXWOBQUKSQTPNJ-VHSXEESVSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC1(F)F ZINC001574772509 950969462 /nfs/dbraw/zinc/96/94/62/950969462.db2.gz SYOQMKJZGZCHGG-YGRLFVJLSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(Cl)cc1F ZINC001575017005 950972059 /nfs/dbraw/zinc/97/20/59/950972059.db2.gz FOBOLOUHJDQKEF-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(C2CC2)no1 ZINC001574530326 950979349 /nfs/dbraw/zinc/97/93/49/950979349.db2.gz BUMIKHSTZAXKIY-MNOVXSKESA-N 1 0 384.444 1.747 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575644732 950994817 /nfs/dbraw/zinc/99/48/17/950994817.db2.gz WQBIMWWXRQFYOR-GXTWGEPZSA-N 1 0 390.513 1.681 20 0 GDADRO CC(C)(CC(F)(F)F)C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573900363 951005671 /nfs/dbraw/zinc/00/56/71/951005671.db2.gz YGJPYSSJHRCTPG-UHFFFAOYSA-N 1 0 383.378 1.723 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Cl)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575023225 951077639 /nfs/dbraw/zinc/07/76/39/951077639.db2.gz KMFKREZQOGTPPD-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575024390 951101886 /nfs/dbraw/zinc/10/18/86/951101886.db2.gz CRXDMZQXFDVVLN-LBPRGKRZSA-N 1 0 379.424 1.451 20 0 GDADRO C[C@H](CNC(=O)c1ccc2[nH]ccc2n1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024609 951110321 /nfs/dbraw/zinc/11/03/21/951110321.db2.gz JDBZLDISPDTVAQ-CYBMUJFWSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@H](CNC(=O)c1cccc(=O)[nH]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575026216 951140306 /nfs/dbraw/zinc/14/03/06/951140306.db2.gz GTRCATPOAXGCMP-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575029739 951188872 /nfs/dbraw/zinc/18/88/72/951188872.db2.gz XCUVYVLJGURMKN-VXGBXAGGSA-N 1 0 379.424 1.237 20 0 GDADRO CC(C)Oc1ncccc1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575031572 951196665 /nfs/dbraw/zinc/19/66/65/951196665.db2.gz DMEATDRMWMLLTE-GFCCVEGCSA-N 1 0 382.428 1.096 20 0 GDADRO C[C@H](CNC(=O)c1cccnc1C(F)(F)F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575031921 951209913 /nfs/dbraw/zinc/20/99/13/951209913.db2.gz MCKPZVVELFFSOE-SECBINFHSA-N 1 0 392.345 1.328 20 0 GDADRO C[C@@H](CNC(=O)c1ccnn1C1CCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575033833 951228959 /nfs/dbraw/zinc/22/89/59/951228959.db2.gz CDUOFGROIGSTJC-ZDUSSCGKSA-N 1 0 380.456 1.696 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2-c2nn[nH]n2)c1 ZINC001575037628 951309745 /nfs/dbraw/zinc/30/97/45/951309745.db2.gz BVSKLNJQSPTQJR-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)c1ccsn1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575038443 951318750 /nfs/dbraw/zinc/31/87/50/951318750.db2.gz JCULJSOHOBQTLC-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575040057 951334691 /nfs/dbraw/zinc/33/46/91/951334691.db2.gz TVIMJUGGJUPNPD-GFCCVEGCSA-N 1 0 383.460 1.121 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575052812 951471207 /nfs/dbraw/zinc/47/12/07/951471207.db2.gz OLGINQVGHIGSHZ-LBPRGKRZSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CCF)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575054602 951493647 /nfs/dbraw/zinc/49/36/47/951493647.db2.gz JBPWRGZPLCSWGT-LLVKDONJSA-N 1 0 392.464 1.345 20 0 GDADRO C[C@H](CNC(=O)c1cnoc1C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575055424 951506115 /nfs/dbraw/zinc/50/61/15/951506115.db2.gz TUYUZUUZESATHK-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1csc(Cl)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575057473 951529185 /nfs/dbraw/zinc/52/91/85/951529185.db2.gz PPCFARAJMUUNDY-MRVPVSSYSA-N 1 0 378.849 1.272 20 0 GDADRO C[C@@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575059333 951540991 /nfs/dbraw/zinc/54/09/91/951540991.db2.gz ZOAZRHAVEYSJDE-JTQLQIEISA-N 1 0 386.485 1.668 20 0 GDADRO C[C@@H](CNC(=O)c1ncc(Cl)s1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575061938 951564494 /nfs/dbraw/zinc/56/44/94/951564494.db2.gz RKDLJWULEVZNSR-MRVPVSSYSA-N 1 0 378.849 1.272 20 0 GDADRO C[C@@H](CNC(=O)c1ncc(F)cc1F)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575062146 951565769 /nfs/dbraw/zinc/56/57/69/951565769.db2.gz UPHGZVFZHGPBFB-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1nn(C)cc1Cl)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067005 951601789 /nfs/dbraw/zinc/60/17/89/951601789.db2.gz OQRZIZDJFVOKGF-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1O)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575067866 951626335 /nfs/dbraw/zinc/62/63/35/951626335.db2.gz PZFUSUNXXPVLGT-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)c1snnc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575071317 951658668 /nfs/dbraw/zinc/65/86/68/951658668.db2.gz ZMBVXAJCYRPCKD-SNVBAGLBSA-N 1 0 384.469 1.504 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H](O)C1CCCCC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077326 951666206 /nfs/dbraw/zinc/66/62/06/951666206.db2.gz FSZMAMILNKOVAU-BLLLJJGKSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1cscn1 ZINC001575077436 951669147 /nfs/dbraw/zinc/66/91/47/951669147.db2.gz CQGWCWPPNKQVBN-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)n1cccn1 ZINC001575078060 951677938 /nfs/dbraw/zinc/67/79/38/951677938.db2.gz JQJGDXZUUOEHFP-CHWSQXEVSA-N 1 0 386.435 1.305 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078867 951684523 /nfs/dbraw/zinc/68/45/23/951684523.db2.gz AUXRSEMYRRZVQO-IYDIDCQVSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccc(F)cn1 ZINC001575079060 951687723 /nfs/dbraw/zinc/68/77/23/951687723.db2.gz PCJWQOSMKMANRH-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)CCn1ccnc1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080128 951704806 /nfs/dbraw/zinc/70/48/06/951704806.db2.gz VPXACUBHJSYZBC-CYBMUJFWSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)[C@H]1CCCO1)C1CC1 ZINC001575080683 951711767 /nfs/dbraw/zinc/71/17/67/951711767.db2.gz MQKPJRWPXBSCIQ-VQIMIIECSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C1CC(F)(F)C1 ZINC001575081189 951720525 /nfs/dbraw/zinc/72/05/25/951720525.db2.gz PLTPTQMFBSCGAC-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)n1cccn1 ZINC001575081143 951720893 /nfs/dbraw/zinc/72/08/93/951720893.db2.gz OPFFMBQZKZFBDF-STQMWFEESA-N 1 0 386.435 1.400 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)n1cccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081231 951722658 /nfs/dbraw/zinc/72/26/58/951722658.db2.gz QGSRFGLJHNRHBE-OLZOCXBDSA-N 1 0 386.435 1.305 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)n1cccc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081624 951723582 /nfs/dbraw/zinc/72/35/82/951723582.db2.gz RBHCNPURBZKUQF-KBPBESRZSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1ccns1 ZINC001575082944 951738151 /nfs/dbraw/zinc/73/81/51/951738151.db2.gz ZUPKAPTWKOCVOB-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1nccs1 ZINC001575088502 951739594 /nfs/dbraw/zinc/73/95/94/951739594.db2.gz AJDPQAOLJWLGNR-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)C1=COCCC1)C1CC1 ZINC001575088695 951741740 /nfs/dbraw/zinc/74/17/40/951741740.db2.gz AVTHGVXUJMEJOM-GOSISDBHSA-N 1 0 388.497 1.997 20 0 GDADRO C[C@H](CNC(=O)Cc1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089123 951746106 /nfs/dbraw/zinc/74/61/06/951746106.db2.gz DPSSAWJGFKTIDI-ZDUSSCGKSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ncccc1O ZINC001575089568 951750561 /nfs/dbraw/zinc/75/05/61/951750561.db2.gz GRWHTEHSMVVRIT-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575090680 951763742 /nfs/dbraw/zinc/76/37/42/951763742.db2.gz LCPQTHWMYJILNT-JSGCOSHPSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001575090961 951766976 /nfs/dbraw/zinc/76/69/76/951766976.db2.gz LZEDQQUTSCECGG-XLIONFOSSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](CNC(=O)c1cnsn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091026 951767160 /nfs/dbraw/zinc/76/71/60/951767160.db2.gz OVQOYAJRTPMEHY-VIFPVBQESA-N 1 0 376.421 1.013 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001575091072 951767637 /nfs/dbraw/zinc/76/76/37/951767637.db2.gz NNHNJJAEBVLXBQ-LJQANCHMSA-N 1 0 380.456 1.207 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1ncoc1C1CC1 ZINC001575091558 951778904 /nfs/dbraw/zinc/77/89/04/951778904.db2.gz VCBOOLMCEYYVPJ-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)[C@H]1CCCO1)C1CC1 ZINC001575091604 951780082 /nfs/dbraw/zinc/78/00/82/951780082.db2.gz VXMXTHNIQUYFON-APWZRJJASA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1nccs1 ZINC001575092541 951794638 /nfs/dbraw/zinc/79/46/38/951794638.db2.gz DMJPMUKZPNEDGA-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001575092577 951795148 /nfs/dbraw/zinc/79/51/48/951795148.db2.gz FLMHTBSSMOKHHT-NQYLQCIDSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575093406 951798080 /nfs/dbraw/zinc/79/80/80/951798080.db2.gz INDYRCRDPKIIBT-AWEZNQCLSA-N 1 0 387.488 1.062 20 0 GDADRO C[C@H](CNC(=O)c1nn(C)cc1Cl)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093404 951799449 /nfs/dbraw/zinc/79/94/49/951799449.db2.gz IMMVWSYVOQQCJJ-NSHDSACASA-N 1 0 388.863 1.409 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094367 951805305 /nfs/dbraw/zinc/80/53/05/951805305.db2.gz NFFCETZJHBWLNV-CYBMUJFWSA-N 1 0 392.467 1.690 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2cc[nH]c12)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099249 951830565 /nfs/dbraw/zinc/83/05/65/951830565.db2.gz JGXIHIGKDRGTDN-SNVBAGLBSA-N 1 0 385.457 1.060 20 0 GDADRO C[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cccnc1 ZINC001575100797 951847147 /nfs/dbraw/zinc/84/71/47/951847147.db2.gz VGZFBRNMSCUKJK-CHWSQXEVSA-N 1 0 385.497 1.969 20 0 GDADRO C[C@H](CNC(=O)c1cncs1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102048 951866355 /nfs/dbraw/zinc/86/63/55/951866355.db2.gz LEXXMRFOAUCEQF-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102357 951869020 /nfs/dbraw/zinc/86/90/20/951869020.db2.gz LOXOWVNGEROKRU-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575102742 951871340 /nfs/dbraw/zinc/87/13/40/951871340.db2.gz PTTNSWNTWYNKHA-KZULUSFZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575103704 951877160 /nfs/dbraw/zinc/87/71/60/951877160.db2.gz VIDJYXOOZPYNNF-JSGCOSHPSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)COC(C)(C)C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575104134 951881303 /nfs/dbraw/zinc/88/13/03/951881303.db2.gz XQOYGCDEEVXYKL-GFCCVEGCSA-N 1 0 378.452 1.663 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cc1cncs1 ZINC001575104915 951889680 /nfs/dbraw/zinc/88/96/80/951889680.db2.gz GSRFIDCIVVUWAX-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105912 951900913 /nfs/dbraw/zinc/90/09/13/951900913.db2.gz PPMMBBWKHWULJH-LIRRHRJNSA-N 1 0 392.463 1.712 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001575105892 951901277 /nfs/dbraw/zinc/90/12/77/951901277.db2.gz PBHPUSAFWLMIFJ-HXUWFJFHSA-N 1 0 379.468 1.812 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575107238 951917662 /nfs/dbraw/zinc/91/76/62/951917662.db2.gz BSKNJAZUQMZMBJ-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001575107930 951921323 /nfs/dbraw/zinc/92/13/23/951921323.db2.gz JIVGALYVEKWEMZ-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001575113842 951946843 /nfs/dbraw/zinc/94/68/43/951946843.db2.gz GXHMMIKGIVDXEL-XOBRGWDASA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](CNC(=O)CCc1ncccn1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114014 951951016 /nfs/dbraw/zinc/95/10/16/951951016.db2.gz KKWYBKNHYMZLHT-CQSZACIVSA-N 1 0 380.456 1.131 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001575114595 951959301 /nfs/dbraw/zinc/95/93/01/951959301.db2.gz QSUKFPNPHGQMRT-JXFKEZNVSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cnc(Cl)s1 ZINC001575116548 951972594 /nfs/dbraw/zinc/97/25/94/951972594.db2.gz DTAZTFZPNSCCCO-MRVPVSSYSA-N 1 0 380.865 1.460 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001575127597 952059820 /nfs/dbraw/zinc/05/98/20/952059820.db2.gz YUQSDTQWIRPDEV-RHSMWYFYSA-N 1 0 386.504 1.783 20 0 GDADRO C[C@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575135768 952121487 /nfs/dbraw/zinc/12/14/87/952121487.db2.gz NNVGWVFPUSODBA-CHWSQXEVSA-N 1 0 375.452 1.606 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575145210 952180747 /nfs/dbraw/zinc/18/07/47/952180747.db2.gz SOLYYLQVDXMSLQ-TZMCWYRMSA-N 1 0 378.440 1.067 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CC1 ZINC001575145485 952184116 /nfs/dbraw/zinc/18/41/16/952184116.db2.gz YJFSWDULVLQFGU-LYDQXWKUSA-N 1 0 393.495 1.983 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575145451 952184123 /nfs/dbraw/zinc/18/41/23/952184123.db2.gz XWMFTXIWAKEQFA-BFUOFWGJSA-N 1 0 385.472 1.197 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001575165961 952317744 /nfs/dbraw/zinc/31/77/44/952317744.db2.gz XRMLXLNQXGDHSV-DOMZBBRYSA-N 1 0 390.467 1.532 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001575166237 952322982 /nfs/dbraw/zinc/32/29/82/952322982.db2.gz ZMAVWLLXRDLVPO-LLVKDONJSA-N 1 0 376.440 1.144 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575190500 952462448 /nfs/dbraw/zinc/46/24/48/952462448.db2.gz SZEQPRMXXLAZIV-KBPBESRZSA-N 1 0 381.440 1.416 20 0 GDADRO CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575196240 952474988 /nfs/dbraw/zinc/47/49/88/952474988.db2.gz GDEJTLAKNOVXOA-SUMWQHHRSA-N 1 0 383.456 1.708 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575196872 952478657 /nfs/dbraw/zinc/47/86/57/952478657.db2.gz KJVCEGWOWYRJAR-HSBZDZAISA-N 1 0 381.440 1.462 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575199210 952488869 /nfs/dbraw/zinc/48/88/69/952488869.db2.gz AQLXVROHFAXENF-KGLIPLIRSA-N 1 0 382.472 1.405 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCC1(F)F ZINC001571121172 952516620 /nfs/dbraw/zinc/51/66/20/952516620.db2.gz XBGHJYVCJLRYOK-PESDSKBTSA-N 1 0 376.411 1.896 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCC(F)(F)C1 ZINC001571121295 952518686 /nfs/dbraw/zinc/51/86/86/952518686.db2.gz XUHAQLGUMZATGU-TZMCWYRMSA-N 1 0 376.411 1.993 20 0 GDADRO CO[C@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571122224 952523836 /nfs/dbraw/zinc/52/38/36/952523836.db2.gz HEMNOIMYTWLWFJ-OCCSQVGLSA-N 1 0 376.436 1.511 20 0 GDADRO O=C(c1ccnc(C2CC2)c1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571122798 952526833 /nfs/dbraw/zinc/52/68/33/952526833.db2.gz LJRQQWHODWFGSO-AWEZNQCLSA-N 1 0 376.424 1.283 20 0 GDADRO CO[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571123105 952527346 /nfs/dbraw/zinc/52/73/46/952527346.db2.gz OXDGAMBPDCTLKT-SWLSCSKDSA-N 1 0 376.436 1.464 20 0 GDADRO C[C@H]1CN(C(=O)c2cnsn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571123072 952528103 /nfs/dbraw/zinc/52/81/03/952528103.db2.gz NPXLIHKVESNWML-GZMMTYOYSA-N 1 0 376.471 1.030 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](F)C(C)C)C2)cc1-c1nn[nH]n1 ZINC001571123412 952530183 /nfs/dbraw/zinc/53/01/83/952530183.db2.gz RNASIROPVCMCGH-CJNGLKHVSA-N 1 0 376.436 1.560 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575206599 952531272 /nfs/dbraw/zinc/53/12/72/952531272.db2.gz KGMNZVNZWNQXSP-UONOGXRCSA-N 1 0 382.472 1.073 20 0 GDADRO C[N@@H+]1C[C@@H](CNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@H](c2ccccc2)C1 ZINC001571124004 952534309 /nfs/dbraw/zinc/53/43/09/952534309.db2.gz XBSCEWHMSMVNGX-MOPGFXCFSA-N 1 0 376.464 1.871 20 0 GDADRO Cc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3CCC3(F)F)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124433 952538917 /nfs/dbraw/zinc/53/89/17/952538917.db2.gz IVKNZHXBTFYNKF-YPMHNXCESA-N 1 0 377.399 1.440 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124601 952541296 /nfs/dbraw/zinc/54/12/96/952541296.db2.gz OQMSYFVKBVOSAS-OTYXRUKQSA-N 1 0 377.399 1.296 20 0 GDADRO 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ZINC001571127755 952560009 /nfs/dbraw/zinc/56/00/09/952560009.db2.gz MQEIMFYTMFXFTP-INIZCTEOSA-N 1 0 377.452 1.502 20 0 GDADRO CC1(C)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC001571139406 952620278 /nfs/dbraw/zinc/62/02/78/952620278.db2.gz HDRNQDYLGPDKSL-CYBMUJFWSA-N 1 0 379.415 1.680 20 0 GDADRO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)c1ccc(=O)[nH]c1 ZINC001571140369 952624357 /nfs/dbraw/zinc/62/43/57/952624357.db2.gz BWHACDGIKROKCW-OAHLLOKOSA-N 1 0 379.424 1.314 20 0 GDADRO O=C(c1cc[nH]n1)N1CCC2(C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001571142539 952643339 /nfs/dbraw/zinc/64/33/39/952643339.db2.gz UFYOHTUZXVRNBP-UHFFFAOYSA-N 1 0 378.440 1.328 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c(-c2nn[nH]n2)c1 ZINC001571142771 952645779 /nfs/dbraw/zinc/64/57/79/952645779.db2.gz XYODVJLYQSNQQB-AWEZNQCLSA-N 1 0 378.502 1.574 20 0 GDADRO C[C@H]1CN(C(=O)c2ccn(C)c2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571151550 952675566 /nfs/dbraw/zinc/67/55/66/952675566.db2.gz QIXKZJWXRGXAPY-KBXCAEBGSA-N 1 0 379.468 1.846 20 0 GDADRO Cc1cc(N2CCC(NC(=O)c3ccnc(C)n3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571156793 952704857 /nfs/dbraw/zinc/70/48/57/952704857.db2.gz JPNZWRBTPYKSGM-UHFFFAOYSA-N 1 0 379.428 1.067 20 0 GDADRO CCc1nc[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571166537 952763375 /nfs/dbraw/zinc/76/33/75/952763375.db2.gz MRWMGMYWFQSLMW-MLGOLLRUSA-N 1 0 380.456 1.403 20 0 GDADRO C[C@H](NC(=O)c1cn[nH]c1)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571166997 952767676 /nfs/dbraw/zinc/76/76/76/952767676.db2.gz RZPOUMOIHAQFJC-UONOGXRCSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167075 952768997 /nfs/dbraw/zinc/76/89/97/952768997.db2.gz VAMUZSMCZTXPGF-CJNGLKHVSA-N 1 0 380.456 1.098 20 0 GDADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001571167002 952769039 /nfs/dbraw/zinc/76/90/39/952769039.db2.gz SCOMUKLXRAXCKW-SFHVURJKSA-N 1 0 380.427 1.591 20 0 GDADRO C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571167109 952770614 /nfs/dbraw/zinc/77/06/14/952770614.db2.gz VTDGKPWAKIFMRE-XJKSGUPXSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571167083 952770622 /nfs/dbraw/zinc/77/06/22/952770622.db2.gz VDGMCHPMYVLPOF-DYVFJYSZSA-N 1 0 380.456 1.375 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001571167094 952770656 /nfs/dbraw/zinc/77/06/56/952770656.db2.gz VHZZHDYXHIWDSY-DAXOMENPSA-N 1 0 380.456 1.141 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167186 952771829 /nfs/dbraw/zinc/77/18/29/952771829.db2.gz XRPJKNSSCYCGKS-CJNGLKHVSA-N 1 0 380.456 1.302 20 0 GDADRO Cc1ccncc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571169550 952774781 /nfs/dbraw/zinc/77/47/81/952774781.db2.gz GSDAFMLIAQESNN-BBRMVZONSA-N 1 0 380.456 1.587 20 0 GDADRO Cc1n[nH]cc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC001571169592 952776141 /nfs/dbraw/zinc/77/61/41/952776141.db2.gz HKHOZERAGFNYNS-MLGOLLRUSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1cnn(CCC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571169793 952777955 /nfs/dbraw/zinc/77/79/55/952777955.db2.gz NNQGOVQFCOKNIB-QGZVFWFLSA-N 1 0 380.456 1.152 20 0 GDADRO CCn1ccnc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169748 952778278 /nfs/dbraw/zinc/77/82/78/952778278.db2.gz LSKZXOJIHPZKBO-IBGZPJMESA-N 1 0 380.456 1.478 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169781 952778398 /nfs/dbraw/zinc/77/83/98/952778398.db2.gz NDLLXGFZPOEDJC-IUODEOHRSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@H]1C ZINC001571169930 952780528 /nfs/dbraw/zinc/78/05/28/952780528.db2.gz QZSWHHRSJCXRLB-BBRMVZONSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571170079 952782631 /nfs/dbraw/zinc/78/26/31/952782631.db2.gz SIOUQUZKDWSTNG-UHFFFAOYSA-N 1 0 380.456 1.683 20 0 GDADRO Cn1nccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571171512 952793588 /nfs/dbraw/zinc/79/35/88/952793588.db2.gz BGTRLJQCEHZOFT-HNNXBMFYSA-N 1 0 380.456 1.385 20 0 GDADRO O=C(Cn1cccn1)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172524 952806700 /nfs/dbraw/zinc/80/67/00/952806700.db2.gz WGCZRWBFDNCTDP-INIZCTEOSA-N 1 0 380.456 1.092 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1ccncc1 ZINC001571178870 952849042 /nfs/dbraw/zinc/84/90/42/952849042.db2.gz WVMOEPCWQQCZDP-WBMJQRKESA-N 1 0 381.415 1.794 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC001571178934 952850219 /nfs/dbraw/zinc/85/02/19/952850219.db2.gz YLQMICGHRPRMLY-QGZVFWFLSA-N 1 0 381.415 1.747 20 0 GDADRO CCc1oncc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571182814 952869481 /nfs/dbraw/zinc/86/94/81/952869481.db2.gz GNJCSCJGQQTNNL-HNNXBMFYSA-N 1 0 381.440 1.764 20 0 GDADRO CCc1ncoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571182896 952870697 /nfs/dbraw/zinc/87/06/97/952870697.db2.gz JAZUTTQQOSSYEU-CTYIDZIISA-N 1 0 381.440 1.715 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1ccncc1F ZINC001571183019 952871480 /nfs/dbraw/zinc/87/14/80/952871480.db2.gz LZVHEBDWDDTGSW-CQSZACIVSA-N 1 0 381.415 1.795 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571183167 952874103 /nfs/dbraw/zinc/87/41/03/952874103.db2.gz QUGNFBQRDWOZRL-SUMWQHHRSA-N 1 0 381.440 1.885 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001571183190 952874234 /nfs/dbraw/zinc/87/42/34/952874234.db2.gz SBZPNVVMVABDDG-GDBMZVCRSA-N 1 0 381.415 1.826 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001571183155 952874802 /nfs/dbraw/zinc/87/48/02/952874802.db2.gz QDUMBURJMHTKKN-CQSZACIVSA-N 1 0 381.440 1.378 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571185271 952900943 /nfs/dbraw/zinc/90/09/43/952900943.db2.gz KGGLCPYVJHKSMO-WCQYABFASA-N 1 0 381.444 1.328 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001571185600 952902955 /nfs/dbraw/zinc/90/29/55/952902955.db2.gz NULDBQQUZPRYRP-GXTWGEPZSA-N 1 0 381.444 1.116 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001571187941 952909909 /nfs/dbraw/zinc/90/99/09/952909909.db2.gz DDOZGDAPUIQWES-AAEUAGOBSA-N 1 0 381.444 1.129 20 0 GDADRO Cc1nn[nH]c1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571189313 952927973 /nfs/dbraw/zinc/92/79/73/952927973.db2.gz USMNLTOYIOGYIC-OAHLLOKOSA-N 1 0 381.444 1.078 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@@H]2C)c[nH]1 ZINC001571189546 952930551 /nfs/dbraw/zinc/93/05/51/952930551.db2.gz XCBGIEBILHWDJZ-WCQYABFASA-N 1 0 381.444 1.129 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571189656 952931840 /nfs/dbraw/zinc/93/18/40/952931840.db2.gz ZPXYCZGGXALNAP-WCQYABFASA-N 1 0 381.444 1.389 20 0 GDADRO O=S1(=O)CC2(C1)CCC([NH2+]Cc1ccc(-c3nn[nH]n3)c(Cl)c1)CC2 ZINC001571193156 952951346 /nfs/dbraw/zinc/95/13/46/952951346.db2.gz ZARVVLCXCSOOPA-UHFFFAOYSA-N 1 0 381.889 1.967 20 0 GDADRO Cc1ccnc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571196719 952982849 /nfs/dbraw/zinc/98/28/49/952982849.db2.gz MRZOLTCNRKZCJJ-CQSZACIVSA-N 1 0 382.403 1.109 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001571197443 952990667 /nfs/dbraw/zinc/99/06/67/952990667.db2.gz ZYKYGDOVMJYOLN-ZDUSSCGKSA-N 1 0 382.403 1.142 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC001571199131 952997026 /nfs/dbraw/zinc/99/70/26/952997026.db2.gz MIMBZRKMSGUPFT-AWEZNQCLSA-N 1 0 382.428 1.217 20 0 GDADRO Cc1conc1C(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571200086 953006699 /nfs/dbraw/zinc/00/66/99/953006699.db2.gz APGWNYGUVJPSQM-ZDUSSCGKSA-N 1 0 382.428 1.689 20 0 GDADRO Cc1nocc1C(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571201078 953013655 /nfs/dbraw/zinc/01/36/55/953013655.db2.gz JHGIQPYHYFDSSD-ZWNOBZJWSA-N 1 0 382.428 1.109 20 0 GDADRO Cc1cc(C(=O)N2CCCC[C@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)no1 ZINC001571201977 953021782 /nfs/dbraw/zinc/02/17/82/953021782.db2.gz PRBKEOPLOGAYQV-ZDUSSCGKSA-N 1 0 382.428 1.395 20 0 GDADRO Cc1noc(C)c1C(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571204604 953030860 /nfs/dbraw/zinc/03/08/60/953030860.db2.gz AKWRMAMZJIKLEP-ZDUSSCGKSA-N 1 0 382.428 1.253 20 0 GDADRO Cc1ncoc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C1 ZINC001571204924 953033488 /nfs/dbraw/zinc/03/34/88/953033488.db2.gz DFDBIUNPCSDZIK-OCCSQVGLSA-N 1 0 382.428 1.085 20 0 GDADRO CC1(C)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571209950 953069624 /nfs/dbraw/zinc/06/96/24/953069624.db2.gz JZLQOGMEZALHRO-VVLHAWIVSA-N 1 0 382.468 1.086 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210152 953070918 /nfs/dbraw/zinc/07/09/18/953070918.db2.gz MKXDSLNEOYRJAR-KSSFIOAISA-N 1 0 382.468 1.683 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1=COCCC1 ZINC001571210377 953071249 /nfs/dbraw/zinc/07/12/49/953071249.db2.gz QCZCDXBMVLTIAW-SJLPKXTDSA-N 1 0 382.468 1.936 20 0 GDADRO O=C(N1CCCC[C@H]1CNc1ccc(-c2nn[nH]n2)cn1)C12CC[NH+](CC1)C2 ZINC001571219383 953125784 /nfs/dbraw/zinc/12/57/84/953125784.db2.gz YNMROWIZFVIQRE-HNNXBMFYSA-N 1 0 382.472 1.151 20 0 GDADRO CC1(C)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC001571230301 953176133 /nfs/dbraw/zinc/17/61/33/953176133.db2.gz UFPNBCBEIPEXBO-INIZCTEOSA-N 1 0 383.431 1.974 20 0 GDADRO CC1(C)CN(C(=O)c2ccc[nH]2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571230516 953177456 /nfs/dbraw/zinc/17/74/56/953177456.db2.gz XGKQODRGAOAZHD-MRXNPFEDSA-N 1 0 383.431 1.974 20 0 GDADRO Cc1cc(N2CCC(NC(=O)[C@@H]3C[C@]34CCOC4)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232882 953189284 /nfs/dbraw/zinc/18/92/84/953189284.db2.gz LQDCGHCPBQIMHO-KXBFYZLASA-N 1 0 383.456 1.082 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cscn1 ZINC001571233964 953197501 /nfs/dbraw/zinc/19/75/01/953197501.db2.gz JHPWSZQRGDHPQE-BLLLJJGKSA-N 1 0 383.481 1.645 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCN(C(=O)c2ccns2)C1 ZINC001571234113 953199174 /nfs/dbraw/zinc/19/91/74/953199174.db2.gz NHJUHEWEQGHNEM-AWEZNQCLSA-N 1 0 383.481 1.917 20 0 GDADRO CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCC([NH2+]Cc2nccn2C)CC1 ZINC001571234165 953200010 /nfs/dbraw/zinc/20/00/10/953200010.db2.gz OMXPKGQLBIAYMN-UHFFFAOYSA-N 1 0 383.460 1.101 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571239004 953234687 /nfs/dbraw/zinc/23/46/87/953234687.db2.gz DWULTFSGTDEIQZ-CQSZACIVSA-N 1 0 384.419 1.432 20 0 GDADRO CCn1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)c1 ZINC001571239165 953236749 /nfs/dbraw/zinc/23/67/49/953236749.db2.gz GYGKYJBCDCGWPD-CQSZACIVSA-N 1 0 384.419 1.227 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)[nH]1 ZINC001571241628 953248255 /nfs/dbraw/zinc/24/82/55/953248255.db2.gz GRMKLSVIUFYBGM-OKILXGFUSA-N 1 0 384.419 1.396 20 0 GDADRO Cn1nccc1C(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571241620 953248519 /nfs/dbraw/zinc/24/85/19/953248519.db2.gz GOBCDQAIRTYWQD-AWEZNQCLSA-N 1 0 384.419 1.134 20 0 GDADRO Cn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)cn1 ZINC001571241866 953250528 /nfs/dbraw/zinc/25/05/28/953250528.db2.gz NZWGDILNJXVVKW-SFHVURJKSA-N 1 0 384.419 1.134 20 0 GDADRO Cc1nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)c[nH]1 ZINC001571241846 953250612 /nfs/dbraw/zinc/25/06/12/953250612.db2.gz NCGMPTHEPJBFIY-AWEZNQCLSA-N 1 0 384.419 1.384 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001571241937 953251221 /nfs/dbraw/zinc/25/12/21/953251221.db2.gz QGOZNKRFUGCPQX-MRXNPFEDSA-N 1 0 384.440 1.178 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1ncc[nH]1 ZINC001571242020 953252401 /nfs/dbraw/zinc/25/24/01/953252401.db2.gz SWFAODZGZWVMSL-QWHCGFSZSA-N 1 0 384.419 1.560 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)n(C)n1 ZINC001571241995 953252578 /nfs/dbraw/zinc/25/25/78/953252578.db2.gz SJGJVVZKZZYTJK-OKILXGFUSA-N 1 0 384.419 1.098 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1n[nH]cc1F ZINC001571242096 953253268 /nfs/dbraw/zinc/25/32/68/953253268.db2.gz UVCJCIGIPCYVBF-UHFFFAOYSA-N 1 0 384.419 1.371 20 0 GDADRO Cc1nscc1C(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571245276 953272339 /nfs/dbraw/zinc/27/23/39/953272339.db2.gz RHVNCGJGFKEWKB-LBPRGKRZSA-N 1 0 384.469 1.331 20 0 GDADRO CCN(C(=O)c1ccsn1)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571245621 953275401 /nfs/dbraw/zinc/27/54/01/953275401.db2.gz XCFPHFOMFKIORX-LBPRGKRZSA-N 1 0 384.469 1.768 20 0 GDADRO Cc1ccnc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001571245831 953277626 /nfs/dbraw/zinc/27/76/26/953277626.db2.gz ZRERPRSWUFJUSX-LBPRGKRZSA-N 1 0 384.469 1.279 20 0 GDADRO CC1(C)CC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(F)ccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571245987 953279522 /nfs/dbraw/zinc/27/95/22/953279522.db2.gz PZLRBVBYXXEEPK-FVQHAEBGSA-N 1 0 384.459 1.988 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571247763 953286098 /nfs/dbraw/zinc/28/60/98/953286098.db2.gz DMGVELYMXACKGH-KURKYZTESA-N 1 0 384.484 1.762 20 0 GDADRO COCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571247972 953287815 /nfs/dbraw/zinc/28/78/15/953287815.db2.gz KBMSOJNCIUHFBH-ROUUACIJSA-N 1 0 384.484 1.859 20 0 GDADRO CC1(C)CO[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571247931 953287922 /nfs/dbraw/zinc/28/79/22/953287922.db2.gz ISWSHZNTBLDCKX-BRWVUGGUSA-N 1 0 384.484 1.809 20 0 GDADRO CC(C)(C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001571248172 953290973 /nfs/dbraw/zinc/29/09/73/953290973.db2.gz MRDLDRDGBVFOPO-QGZVFWFLSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2CCOCC2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571248259 953291716 /nfs/dbraw/zinc/29/17/16/953291716.db2.gz OTFMIDXUUQUHIX-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1)c1csnn1 ZINC001571248427 953293243 /nfs/dbraw/zinc/29/32/43/953293243.db2.gz SXZYXFGWBQIPQH-ZIAGYGMSSA-N 1 0 384.469 1.549 20 0 GDADRO CN(C(=O)[C@H]1CCCOCC1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571248483 953294082 /nfs/dbraw/zinc/29/40/82/953294082.db2.gz VLUGAIMNOGSNNA-AOCRQIFASA-N 1 0 384.484 1.762 20 0 GDADRO CC(=O)N1CCC(CO[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001571248487 953294510 /nfs/dbraw/zinc/29/45/10/953294510.db2.gz VMSPLQUTUFSUDI-LJQANCHMSA-N 1 0 384.484 1.716 20 0 GDADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1cnsn1 ZINC001571248728 953297325 /nfs/dbraw/zinc/29/73/25/953297325.db2.gz YJBLSYRDBVLQKF-CQSZACIVSA-N 1 0 384.469 1.503 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCOCC1 ZINC001571250190 953309135 /nfs/dbraw/zinc/30/91/35/953309135.db2.gz ODWBNWGRDVGLNH-MSOLQXFVSA-N 1 0 384.484 1.810 20 0 GDADRO Cc1cc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571250341 953310422 /nfs/dbraw/zinc/31/04/22/953310422.db2.gz QUKXZSLMSNHFHC-ZBEGNZNMSA-N 1 0 384.444 1.522 20 0 GDADRO Cc1cnc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571251202 953315777 /nfs/dbraw/zinc/31/57/77/953315777.db2.gz SGKXJBNWUGYIAT-QWHCGFSZSA-N 1 0 384.444 1.694 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001571251879 953320893 /nfs/dbraw/zinc/32/08/93/953320893.db2.gz BZCAEIUOWKOGTC-ZBFHGGJFSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@H]1C[C@@H](C(=O)NC2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)CC[N@@H+]1C ZINC001571252084 953323032 /nfs/dbraw/zinc/32/30/32/953323032.db2.gz GURWKBQNWHXDPO-KBPBESRZSA-N 1 0 384.488 1.077 20 0 GDADRO O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571252328 953326673 /nfs/dbraw/zinc/32/66/73/953326673.db2.gz LEONVUWFDWUESP-INIZCTEOSA-N 1 0 384.488 1.541 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252477 953328073 /nfs/dbraw/zinc/32/80/73/953328073.db2.gz NMXHTCSSVILNHD-HZPDHXFCSA-N 1 0 384.488 1.539 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001571252670 953332264 /nfs/dbraw/zinc/33/22/64/953332264.db2.gz SYRTZBDDVDULSE-GOEBONIOSA-N 1 0 384.488 1.397 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001571252886 953333551 /nfs/dbraw/zinc/33/35/51/953333551.db2.gz YDCWKMHKGPTDIH-INIZCTEOSA-N 1 0 384.488 1.539 20 0 GDADRO CC[N@@H+]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C(C)(C)C1 ZINC001571254405 953338941 /nfs/dbraw/zinc/33/89/41/953338941.db2.gz CTGPCVMZPMSJIH-GFCCVEGCSA-N 1 0 384.893 1.529 20 0 GDADRO C[C@H]1C[C@H](NC(=O)c2cocn2)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571254612 953339734 /nfs/dbraw/zinc/33/97/34/953339734.db2.gz HHFVIWMCJBNKQA-SMDDNHRTSA-N 1 0 385.403 1.777 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001571255168 953346337 /nfs/dbraw/zinc/34/63/37/953346337.db2.gz LXNADQMSAMFFIL-DGCLKSJQSA-N 1 0 385.403 1.634 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001571255374 953348351 /nfs/dbraw/zinc/34/83/51/953348351.db2.gz OGSZMQJSKBANEQ-AWEZNQCLSA-N 1 0 385.403 1.269 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571255564 953350693 /nfs/dbraw/zinc/35/06/93/953350693.db2.gz QKUUOIPYRSRPMC-BZNIZROVSA-N 1 0 385.403 1.173 20 0 GDADRO Cc1nocc1C(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571255669 953352278 /nfs/dbraw/zinc/35/22/78/953352278.db2.gz RSQGVJHAGKLHCV-UHFFFAOYSA-N 1 0 385.403 1.600 20 0 GDADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+](CC(=O)[O-])CC3)cc2)CC1 ZINC000902463282 956731422 /nfs/dbraw/zinc/73/14/22/956731422.db2.gz LOAZCLMKJYYOFH-UHFFFAOYSA-N 1 0 388.512 1.496 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)[C@H]1c1cccs1 ZINC001332348859 957754949 /nfs/dbraw/zinc/75/49/49/957754949.db2.gz USEHUTGGZKRWJE-KDOFPFPSSA-N 1 0 394.541 1.979 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000868447221 969338923 /nfs/dbraw/zinc/33/89/23/969338923.db2.gz KBSJPBZDRFVFBI-MRXNPFEDSA-N 1 0 377.460 1.703 20 0 GDADRO CC(C)c1[nH]c(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1C(=O)[O-] ZINC001591915737 976359549 /nfs/dbraw/zinc/35/95/49/976359549.db2.gz CZTWLQZBZNIVOH-UHFFFAOYSA-N 1 0 378.517 1.723 20 0 GDADRO C[C@@]([NH3+])(C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)c1ccccc1 ZINC001592952113 980045363 /nfs/dbraw/zinc/04/53/63/980045363.db2.gz RPDVDOJZPCXMEU-NRFANRHFSA-N 1 0 382.464 1.706 20 0 GDADRO C[NH+]1CCN(c2ccc(C[NH+]3CCC(n4cc(C(=O)[O-])nn4)CC3)cc2)CC1 ZINC000901523377 980344356 /nfs/dbraw/zinc/34/43/56/980344356.db2.gz KXZACZCJAVBXCQ-UHFFFAOYSA-N 1 0 384.484 1.565 20 0 GDADRO O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)cc2)CC1 ZINC000911338758 982362416 /nfs/dbraw/zinc/36/24/16/982362416.db2.gz CQWMHXKYWWGHLI-MOPGFXCFSA-N 1 0 386.496 1.849 20 0 GDADRO Cc1ncc2n1C[C@H](C(=O)Nc1ccc(N3CC[NH+](CC(=O)[O-])CC3)cc1)CC2 ZINC000911340428 982366951 /nfs/dbraw/zinc/36/69/51/982366951.db2.gz WAPWSQPLZWVDQQ-MRXNPFEDSA-N 1 0 397.479 1.599 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)[O-])C1 ZINC001589445270 986809556 /nfs/dbraw/zinc/80/95/56/986809556.db2.gz PGIACSIVQDWUHB-JKCQUFRZSA-N 1 0 383.395 1.739 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001599835864 988740677 /nfs/dbraw/zinc/74/06/77/988740677.db2.gz LIYQMDZBJSYXBY-LBPRGKRZSA-N 1 0 385.896 1.504 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001598225764 990919121 /nfs/dbraw/zinc/91/91/21/990919121.db2.gz VJPZAUGBBVUZEE-UHFFFAOYSA-N 1 0 394.497 1.047 20 0 GDADRO C[NH+]1CCC([C@@H]2CC[N@H+](CN3C[C@H](c4ccccc4)[C@@H](C(=O)[O-])C3=O)C2)CC1 ZINC001598580202 993330191 /nfs/dbraw/zinc/33/01/91/993330191.db2.gz QICZNHMRNSIRCA-VAMGGRTRSA-N 1 0 385.508 1.934 20 0 GDADRO C[C@H](NC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001593061979 993572923 /nfs/dbraw/zinc/57/29/23/993572923.db2.gz FKBCYGVGMSYANV-WDSOQIARSA-N 1 0 388.512 1.555 20 0 GDADRO COc1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC001599649934 994481342 /nfs/dbraw/zinc/48/13/42/994481342.db2.gz JDSQAJWIGACWDK-ZTFGCOKTSA-N 1 0 375.469 1.401 20 0 GDADRO CO[C@@]1(C(=O)[O-])CC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001599076929 996893184 /nfs/dbraw/zinc/89/31/84/996893184.db2.gz TXOZFUGYZVDTIO-IERDGZPVSA-N 1 0 389.496 1.331 20 0 GDADRO COC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C(=O)[O-] ZINC001598979725 998644565 /nfs/dbraw/zinc/64/45/65/998644565.db2.gz XPDBMDZDVNSGHY-UHFFFAOYSA-N 1 0 380.445 1.129 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000158967626 530538159 /nfs/dbraw/zinc/53/81/59/530538159.db2.gz MSKGKCKPZGHFPD-GFCCVEGCSA-N 1 0 382.404 1.710 20 0 GDADRO C[C@@H]1Cc2cc(S(=O)(=O)NCCC[NH+]3CCC(O)CC3)cc(Cl)c2O1 ZINC000159019226 530539384 /nfs/dbraw/zinc/53/93/84/530539384.db2.gz NCQITZJFKBVZBG-GFCCVEGCSA-N 1 0 388.917 1.789 20 0 GDADRO CN(CC(=O)N1CC[C@]2(CC[NH2+]C2)C1)C(=O)c1ccc(Br)s1 ZINC000159112052 530539682 /nfs/dbraw/zinc/53/96/82/530539682.db2.gz CNHXXETWUSVEMC-HNNXBMFYSA-N 1 0 386.315 1.795 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000161648033 530562632 /nfs/dbraw/zinc/56/26/32/530562632.db2.gz JUXJZMKDCCAXIS-ZDUSSCGKSA-N 1 0 378.441 1.659 20 0 GDADRO O=S(=O)(NCCCN1CC[NH2+]CC1)c1ccc(Br)cc1F ZINC000161897307 530564392 /nfs/dbraw/zinc/56/43/92/530564392.db2.gz YPRAQPMXDPWBMM-UHFFFAOYSA-N 1 0 380.283 1.162 20 0 GDADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000162774488 530570962 /nfs/dbraw/zinc/57/09/62/530570962.db2.gz TWGATFGVYLQNCW-UHFFFAOYSA-N 1 0 375.441 1.096 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CCO1 ZINC000163032131 530572973 /nfs/dbraw/zinc/57/29/73/530572973.db2.gz JZFAFWSNJADGLK-ABAIWWIYSA-N 1 0 379.258 1.823 20 0 GDADRO COCCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000167068976 530583782 /nfs/dbraw/zinc/58/37/82/530583782.db2.gz BDEQFEIQOZYTPA-ROUUACIJSA-N 1 0 375.579 1.622 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000163251024 530574674 /nfs/dbraw/zinc/57/46/74/530574674.db2.gz WTKHCQBXSXKHJW-LBPRGKRZSA-N 1 0 395.305 1.985 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccccc1)c1ccsc1 ZINC000025329219 530580844 /nfs/dbraw/zinc/58/08/44/530580844.db2.gz ZVMIELOFSAOOTL-INIZCTEOSA-N 1 0 381.523 1.836 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000170855689 530590345 /nfs/dbraw/zinc/59/03/45/530590345.db2.gz BXMMOXNMMKNGNV-CQSZACIVSA-N 1 0 389.315 1.526 20 0 GDADRO CC(C)NS(=O)(=O)CCNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000171169134 530594915 /nfs/dbraw/zinc/59/49/15/530594915.db2.gz TXHZOFVYMLTUSY-GASCZTMLSA-N 1 0 376.567 1.370 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000171750344 530602894 /nfs/dbraw/zinc/60/28/94/530602894.db2.gz VZHDSHZDMPCGKX-ZDUSSCGKSA-N 1 0 388.921 1.259 20 0 GDADRO NC(=O)[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(F)cc1 ZINC000171840884 530604192 /nfs/dbraw/zinc/60/41/92/530604192.db2.gz UUQUXJAMSDUKLD-ZDUSSCGKSA-N 1 0 379.404 1.206 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000172043459 530607220 /nfs/dbraw/zinc/60/72/20/530607220.db2.gz UGRJVFPGJMCBEB-LLVKDONJSA-N 1 0 388.331 1.879 20 0 GDADRO CN(CCCNC(=O)C[N@H+](C)CCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000172078891 530608085 /nfs/dbraw/zinc/60/80/85/530608085.db2.gz DMROUUHEMDQJTB-UHFFFAOYSA-N 1 0 375.922 1.212 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000172303257 530611379 /nfs/dbraw/zinc/61/13/79/530611379.db2.gz QLEFEWXAKXBYKQ-PWECECGKSA-N 1 0 385.917 1.758 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCc1ccc(Br)cc1 ZINC000172290988 530611825 /nfs/dbraw/zinc/61/18/25/530611825.db2.gz SIUAUVLIEAUZGN-CQSZACIVSA-N 1 0 383.334 1.927 20 0 GDADRO COc1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1Br ZINC000035257493 530613071 /nfs/dbraw/zinc/61/30/71/530613071.db2.gz XIKKHLOAOZUMFR-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000041923309 530625036 /nfs/dbraw/zinc/62/50/36/530625036.db2.gz XFARAZUNEQTNHO-UHFFFAOYSA-N 1 0 386.290 1.781 20 0 GDADRO O=C(CNS(=O)(=O)c1cccs1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000042023597 530626555 /nfs/dbraw/zinc/62/65/55/530626555.db2.gz OVRPSQLFQDCUIU-HNNXBMFYSA-N 1 0 379.507 1.417 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173270468 530627135 /nfs/dbraw/zinc/62/71/35/530627135.db2.gz IQKDCIMHCVCJQO-HNNXBMFYSA-N 1 0 382.302 1.992 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[NH2+]C2(c3ccc(Br)cc3)CC2)cn1 ZINC000173274023 530627540 /nfs/dbraw/zinc/62/75/40/530627540.db2.gz AVVHLFRKGFACPK-UHFFFAOYSA-N 1 0 399.314 1.740 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[N@H+](C)CCCOc2ccc(Cl)cc2)cn1 ZINC000173552659 530632867 /nfs/dbraw/zinc/63/28/67/530632867.db2.gz NQXRYTYTGFORKK-UHFFFAOYSA-N 1 0 386.905 1.753 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000173712378 530635630 /nfs/dbraw/zinc/63/56/30/530635630.db2.gz XNHIICBZZHKYCW-UHFFFAOYSA-N 1 0 384.318 1.754 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000173922195 530639914 /nfs/dbraw/zinc/63/99/14/530639914.db2.gz UTFNMQGFVLHGOS-CYBMUJFWSA-N 1 0 392.518 1.582 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NCc2cc(F)cc(Br)c2)CC1=O ZINC000174174981 530644290 /nfs/dbraw/zinc/64/42/90/530644290.db2.gz RVJVPCUNGGBREL-GFCCVEGCSA-N 1 0 386.265 1.615 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000174008281 530641648 /nfs/dbraw/zinc/64/16/48/530641648.db2.gz PKYXBMRQXPIWRU-OAHLLOKOSA-N 1 0 391.331 1.979 20 0 GDADRO CCS(=O)(=O)NCCCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000051711891 530681517 /nfs/dbraw/zinc/68/15/17/530681517.db2.gz IHYADLWMWBQOKS-HUUCEWRRSA-N 1 0 376.567 1.372 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000051762525 530681679 /nfs/dbraw/zinc/68/16/79/530681679.db2.gz DONGKCTVAAZDND-CYBMUJFWSA-N 1 0 390.311 1.439 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000174164540 530644957 /nfs/dbraw/zinc/64/49/57/530644957.db2.gz TWKNIGYCIKGPBV-OAHLLOKOSA-N 1 0 387.933 1.903 20 0 GDADRO C[C@H](CNC(=O)c1csc(S(N)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000047684810 530661679 /nfs/dbraw/zinc/66/16/79/530661679.db2.gz IMAAYHVRHQIAPK-GFCCVEGCSA-N 1 0 379.507 1.572 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000175303680 530663477 /nfs/dbraw/zinc/66/34/77/530663477.db2.gz NLFQEYFCVXUIPM-GFCCVEGCSA-N 1 0 390.347 1.672 20 0 GDADRO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000048220997 530666043 /nfs/dbraw/zinc/66/60/43/530666043.db2.gz LAYKWQKCTXMAIH-HNNXBMFYSA-N 1 0 385.555 1.893 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000175851937 530671584 /nfs/dbraw/zinc/67/15/84/530671584.db2.gz NBWRCALABVBUJI-UHFFFAOYSA-N 1 0 382.511 1.895 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000176696644 530688574 /nfs/dbraw/zinc/68/85/74/530688574.db2.gz BXGPGNPOHAJLFN-ZDUSSCGKSA-N 1 0 382.302 1.979 20 0 GDADRO CN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000176807637 530691321 /nfs/dbraw/zinc/69/13/21/530691321.db2.gz ORVCXDAHYJSAGL-UHFFFAOYSA-N 1 0 392.319 1.138 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000176920499 530694021 /nfs/dbraw/zinc/69/40/21/530694021.db2.gz BXJCPICZNQWDRG-UHFFFAOYSA-N 1 0 390.347 1.753 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[N@@H+]1C1CC1 ZINC000177157938 530698470 /nfs/dbraw/zinc/69/84/70/530698470.db2.gz LESGKFQVYAHNDU-NEPJUHHUSA-N 1 0 385.917 1.945 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1F ZINC000177393216 530702541 /nfs/dbraw/zinc/70/25/41/530702541.db2.gz NFGYBLKOQHCDJJ-ZDUSSCGKSA-N 1 0 385.486 1.828 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000177479117 530704018 /nfs/dbraw/zinc/70/40/18/530704018.db2.gz IYZILKKYOWZQRW-ZNMIVQPWSA-N 1 0 385.555 1.890 20 0 GDADRO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000177595920 530706355 /nfs/dbraw/zinc/70/63/55/530706355.db2.gz OLGCMKSHEGVIDM-HUUCEWRRSA-N 1 0 387.933 1.950 20 0 GDADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178104375 530715521 /nfs/dbraw/zinc/71/55/21/530715521.db2.gz SCMQONGHVQGBFH-GFCCVEGCSA-N 1 0 397.269 1.972 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000056981759 530721613 /nfs/dbraw/zinc/72/16/13/530721613.db2.gz CDBUXLKNHZPKBB-GFCCVEGCSA-N 1 0 398.301 1.934 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000056797796 530719979 /nfs/dbraw/zinc/71/99/79/530719979.db2.gz QRFZJGMCXWYIDL-UHFFFAOYSA-N 1 0 388.559 1.657 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000061959184 530742298 /nfs/dbraw/zinc/74/22/98/530742298.db2.gz CEZMGSALQYFTBL-UHFFFAOYSA-N 1 0 376.567 1.612 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000062586873 530743656 /nfs/dbraw/zinc/74/36/56/530743656.db2.gz BESQGFBWTWKNJX-JTQLQIEISA-N 1 0 377.413 1.078 20 0 GDADRO C[N@H+](CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CC1 ZINC000063117058 530744218 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NS(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)ccn1 ZINC000186764036 530861521 /nfs/dbraw/zinc/86/15/21/530861521.db2.gz YDJHFVKJESWRLE-ZDUSSCGKSA-N 1 0 380.495 1.357 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000186769835 530862241 /nfs/dbraw/zinc/86/22/41/530862241.db2.gz OYEHWAJVVUZRAQ-UHFFFAOYSA-N 1 0 397.277 1.466 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000186809552 530863228 /nfs/dbraw/zinc/86/32/28/530863228.db2.gz YNGMLKZUWMAMMP-MLGOLLRUSA-N 1 0 385.917 1.852 20 0 GDADRO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1ccc(I)cc1 ZINC000110797826 530869782 /nfs/dbraw/zinc/86/97/82/530869782.db2.gz LOKQXPAPZNYSNX-JTQLQIEISA-N 1 0 380.251 1.569 20 0 GDADRO CN(CCCNC(=O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1)S(C)(=O)=O ZINC000111305985 530872721 /nfs/dbraw/zinc/87/27/21/530872721.db2.gz DQVXUQHWTHRFGY-HNNXBMFYSA-N 1 0 387.933 1.527 20 0 GDADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)COc3ccc(I)cc3)C[C@@H]12 ZINC000185203412 530837781 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O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000188711903 530899329 /nfs/dbraw/zinc/89/93/29/530899329.db2.gz SUQFXBJCGIYPRB-UHFFFAOYSA-N 1 0 381.267 1.720 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188730284 530899459 /nfs/dbraw/zinc/89/94/59/530899459.db2.gz YDDINVIBFQXESD-KGYLQXTDSA-N 1 0 399.264 1.721 20 0 GDADRO C[C@H](CNC(=O)c1cc(I)c[nH]1)C[NH+]1CCN(C)CC1 ZINC000115383967 530899706 /nfs/dbraw/zinc/89/97/06/530899706.db2.gz BIPHAFIVNBMTLV-LLVKDONJSA-N 1 0 390.269 1.233 20 0 GDADRO C[S@@](=O)Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)ccc1Cl ZINC000115868038 530901943 /nfs/dbraw/zinc/90/19/43/530901943.db2.gz ZRNDFFFKHQKBIG-VWLOTQADSA-N 1 0 385.917 1.759 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000189119032 530908057 /nfs/dbraw/zinc/90/80/57/530908057.db2.gz VRTTVCRUBZDQHV-LBPRGKRZSA-N 1 0 380.436 1.405 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccsc1 ZINC000116941365 530910368 /nfs/dbraw/zinc/91/03/68/530910368.db2.gz DKTKGMVCXZEHIF-GJZGRUSLSA-N 1 0 388.559 1.464 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000188052823 530883353 /nfs/dbraw/zinc/88/33/53/530883353.db2.gz BQEABVHZVNHSND-UHFFFAOYSA-N 1 0 397.317 1.450 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188238792 530889460 /nfs/dbraw/zinc/88/94/60/530889460.db2.gz FKXUNUZONFNNBK-UHFFFAOYSA-N 1 0 392.257 1.495 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1Br ZINC000188357425 530892714 /nfs/dbraw/zinc/89/27/14/530892714.db2.gz FGOUXVRUNBZYBB-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCNc2ncc(Cl)cc2Cl)CC1=O ZINC000114171738 530893243 /nfs/dbraw/zinc/89/32/43/530893243.db2.gz NSUJHBTVBCHPEY-NSHDSACASA-N 1 0 388.299 1.327 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000114199764 530893403 /nfs/dbraw/zinc/89/34/03/530893403.db2.gz GWHCKHXMMQCYOJ-ZDUSSCGKSA-N 1 0 397.317 1.387 20 0 GDADRO C[C@@H](CNC(=O)C(=O)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000114379946 530894680 /nfs/dbraw/zinc/89/46/80/530894680.db2.gz MTGSYKAVUVAGQE-ZDUSSCGKSA-N 1 0 382.302 1.632 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)s1 ZINC000188525207 530896177 /nfs/dbraw/zinc/89/61/77/530896177.db2.gz GFYJCAVLOKGPOI-WCQYABFASA-N 1 0 377.507 1.137 20 0 GDADRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000190515347 530931928 /nfs/dbraw/zinc/93/19/28/530931928.db2.gz YNGMTCFKWKHPAN-CYBMUJFWSA-N 1 0 388.559 1.060 20 0 GDADRO O=C(Cc1ccccc1I)NCC[N@@H+]1CCCOCC1 ZINC000189365665 530912090 /nfs/dbraw/zinc/91/20/90/530912090.db2.gz KAYURMURCVFFMJ-UHFFFAOYSA-N 1 0 388.249 1.672 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000118116253 530916352 /nfs/dbraw/zinc/91/63/52/530916352.db2.gz WSMRCDNSLZXUNF-UHFFFAOYSA-N 1 0 381.782 1.992 20 0 GDADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000118453753 530917612 /nfs/dbraw/zinc/91/76/12/530917612.db2.gz XXALQPMXNNPZQV-UHFFFAOYSA-N 1 0 375.441 1.096 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccsc2Cl)CC1 ZINC000189633287 530918156 /nfs/dbraw/zinc/91/81/56/530918156.db2.gz WSFGELPHEXYZNV-ZDUSSCGKSA-N 1 0 384.933 1.969 20 0 GDADRO Cc1cnc([C@H](C)CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)s1 ZINC000189819235 530921119 /nfs/dbraw/zinc/92/11/19/530921119.db2.gz NOZZLQDPSZLGHU-LLVKDONJSA-N 1 0 385.559 1.908 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(NS(C)(=O)=O)c1 ZINC000119048306 530922037 /nfs/dbraw/zinc/92/20/37/530922037.db2.gz IFNUQVAVHLHNGY-MFKMUULPSA-N 1 0 379.404 1.872 20 0 GDADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000119269479 530923913 /nfs/dbraw/zinc/92/39/13/530923913.db2.gz NFZMSPFZQTXWGS-UHFFFAOYSA-N 1 0 391.896 1.610 20 0 GDADRO O=C(Nc1ccc(Br)nc1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190032981 530924560 /nfs/dbraw/zinc/92/45/60/530924560.db2.gz NDOVQRCYRBGQBL-ZDUSSCGKSA-N 1 0 381.274 1.869 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000119422892 530925673 /nfs/dbraw/zinc/92/56/73/530925673.db2.gz HPJVAXIILBXTFH-UHFFFAOYSA-N 1 0 390.253 1.563 20 0 GDADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1CN(S(=O)(=O)CC)C1 ZINC000190282509 530927435 /nfs/dbraw/zinc/92/74/35/530927435.db2.gz ZXDSHHMSHKPAHO-UHFFFAOYSA-N 1 0 394.946 1.505 20 0 GDADRO CCOc1cc(C[NH2+]CCS(=O)(=O)NC)cc(Br)c1OC ZINC000190304550 530928200 /nfs/dbraw/zinc/92/82/00/530928200.db2.gz HDQLGWHDOORYBU-UHFFFAOYSA-N 1 0 381.292 1.495 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000192034555 530960049 /nfs/dbraw/zinc/96/00/49/530960049.db2.gz BHFZCNAXWHABEK-FOGDFJRCSA-N 1 0 392.237 1.130 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1scc(C)c1I ZINC000190905057 530939832 /nfs/dbraw/zinc/93/98/32/530939832.db2.gz TUNJYZFSWVDMJA-UHFFFAOYSA-N 1 0 382.267 1.969 20 0 GDADRO C[NH+](C)C1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000120663523 530944272 /nfs/dbraw/zinc/94/42/72/530944272.db2.gz CLLJQFYSYOBIFF-UHFFFAOYSA-N 1 0 385.555 1.628 20 0 GDADRO COCCN(Cc1sccc1Br)C[C@H](O)CN1CCOCC1 ZINC000191426493 530948250 /nfs/dbraw/zinc/94/82/50/530948250.db2.gz CYIALYIPEAYMRA-CYBMUJFWSA-N 1 0 393.347 1.652 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000121008954 530949238 /nfs/dbraw/zinc/94/92/38/530949238.db2.gz COVDIUGOFCRUJK-RYUDHWBXSA-N 1 0 393.962 1.821 20 0 GDADRO C[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000121153552 530951515 /nfs/dbraw/zinc/95/15/15/530951515.db2.gz TTWKTCKGYXAUEE-KGLIPLIRSA-N 1 0 388.559 1.446 20 0 GDADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000191935872 530957285 /nfs/dbraw/zinc/95/72/85/530957285.db2.gz YEYMYRAYUDVOBK-MRXNPFEDSA-N 1 0 388.295 1.913 20 0 GDADRO O=C(CN1CCN(Cc2cncc(Br)c2)CC1)N1CCCCC1 ZINC000192841204 530974058 /nfs/dbraw/zinc/97/40/58/530974058.db2.gz ZDDHYOPOFWOPLA-UHFFFAOYSA-N 1 0 381.318 1.974 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)ccc1Br ZINC000193047143 530978411 /nfs/dbraw/zinc/97/84/11/530978411.db2.gz MGPCLKVWMNPEPL-NSHDSACASA-N 1 0 383.290 1.939 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2cc(CS(C)(=O)=O)c(C)s2)CC1 ZINC000123273989 530981453 /nfs/dbraw/zinc/98/14/53/530981453.db2.gz UZGQYTBEZSUDLL-UHFFFAOYSA-N 1 0 387.571 1.359 20 0 GDADRO Cc1cc(F)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000122126140 530966704 /nfs/dbraw/zinc/96/67/04/530966704.db2.gz OLEDYCXOUOTCNP-GFCCVEGCSA-N 1 0 375.441 1.139 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000122322663 530969796 /nfs/dbraw/zinc/96/97/96/530969796.db2.gz PTNHDFMFSLYUPJ-YPMHNXCESA-N 1 0 381.274 1.725 20 0 GDADRO Cn1c(=O)sc2cc(C[NH2+]C[C@@H](O)CS(=O)(=O)c3cccs3)ccc21 ZINC000192638734 530971113 /nfs/dbraw/zinc/97/11/13/530971113.db2.gz MQOGSLAIIAHVEW-GFCCVEGCSA-N 1 0 398.531 1.586 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c(Br)c1 ZINC000122442765 530971671 /nfs/dbraw/zinc/97/16/71/530971671.db2.gz UWRNNPQJVAKQFS-LLVKDONJSA-N 1 0 391.287 1.738 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Cc1cccc(Br)c1 ZINC000193681990 530991454 /nfs/dbraw/zinc/99/14/54/530991454.db2.gz MUYZUKKEHDEZRB-OAHLLOKOSA-N 1 0 382.302 1.838 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000124407893 530995345 /nfs/dbraw/zinc/99/53/45/530995345.db2.gz ALZGUMQOUFCLIG-LBPRGKRZSA-N 1 0 395.305 1.248 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000193399185 530986222 /nfs/dbraw/zinc/98/62/22/530986222.db2.gz HGJKEXOEXZUEAR-ONGXEEELSA-N 1 0 391.287 1.497 20 0 GDADRO C[C@H]1C[C@H](N(C)C(=O)CSCc2cc(=O)n3ccsc3n2)CC[N@@H+]1C ZINC000123838274 530988712 /nfs/dbraw/zinc/98/87/12/530988712.db2.gz ZTZBQQPUGVEUNB-GXTWGEPZSA-N 1 0 380.539 1.930 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncccc2Br)CC1 ZINC000193576889 530989757 /nfs/dbraw/zinc/98/97/57/530989757.db2.gz AUJPQKHJKQIXQW-ZDUSSCGKSA-N 1 0 381.274 1.223 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000125345778 531005142 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C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc(I)c1 ZINC000473275143 531252062 /nfs/dbraw/zinc/25/20/62/531252062.db2.gz FWMYVMNVLQDTKG-AWEZNQCLSA-N 1 0 376.238 1.724 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]Cc2cccc(Br)c2)[C@@H](N2CCOCC2)C1 ZINC000265284161 531240597 /nfs/dbraw/zinc/24/05/97/531240597.db2.gz XWKDVSLBYRCMEK-GJZGRUSLSA-N 1 0 389.315 1.037 20 0 GDADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000472889209 531244181 /nfs/dbraw/zinc/24/41/81/531244181.db2.gz CCPZIXQJXNPASE-LLVKDONJSA-N 1 0 387.889 1.235 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)c(Br)c(F)c3)C[C@H]12 ZINC000521360380 531244969 /nfs/dbraw/zinc/24/49/69/531244969.db2.gz UZNPDCRSFOKBQX-VFWDIBGWSA-N 1 0 388.212 1.862 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435234002 531258133 /nfs/dbraw/zinc/25/81/33/531258133.db2.gz DQEDVRSQTCRXDL-ABAIWWIYSA-N 1 0 380.286 1.920 20 0 GDADRO O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)NCC(=O)Nc1ccccc1Br ZINC000435239424 531258739 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531355314 /nfs/dbraw/zinc/35/53/14/531355314.db2.gz PTFXFHPYTOBXIP-UHFFFAOYSA-N 1 0 387.889 1.284 20 0 GDADRO COCCN1CC[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000278367608 531356022 /nfs/dbraw/zinc/35/60/22/531356022.db2.gz DHDHQFFXQDVLIS-ZBFHGGJFSA-N 1 0 382.302 1.865 20 0 GDADRO CNC(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000412052373 531357534 /nfs/dbraw/zinc/35/75/34/531357534.db2.gz CJVMTCPOGSUPKY-CQSZACIVSA-N 1 0 386.290 1.582 20 0 GDADRO Cc1nc(NC(=O)[C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)C)CC2)sc1C ZINC000266622077 531358260 /nfs/dbraw/zinc/35/82/60/531358260.db2.gz RCAQYOHYEVWZRO-LBPRGKRZSA-N 1 0 388.559 1.879 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000441608140 531362595 /nfs/dbraw/zinc/36/25/95/531362595.db2.gz BGCRGJCMGSUCPJ-DOMZBBRYSA-N 1 0 397.317 1.834 20 0 GDADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000412343228 531364006 /nfs/dbraw/zinc/36/40/06/531364006.db2.gz VTFAJYSRHUWULS-ZDUSSCGKSA-N 1 0 379.448 1.437 20 0 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COC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)s1 ZINC000266963896 531380305 /nfs/dbraw/zinc/38/03/05/531380305.db2.gz NZFSORODSJUIOP-UHFFFAOYSA-N 1 0 390.527 1.702 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)NCc2csc(Br)c2)CC[N@H+](C)C1 ZINC000413126073 531396510 /nfs/dbraw/zinc/39/65/10/531396510.db2.gz JLZSETHDQMWOJF-NSHDSACASA-N 1 0 390.303 1.757 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000530567127 531398641 /nfs/dbraw/zinc/39/86/41/531398641.db2.gz AMGTYOGHJNPXOP-OAHLLOKOSA-N 1 0 386.539 1.443 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cnn(C)c2I)C1 ZINC000293068811 531398720 /nfs/dbraw/zinc/39/87/20/531398720.db2.gz BLHNXGFMRHVFSV-LLVKDONJSA-N 1 0 390.269 1.829 20 0 GDADRO COc1ccccc1/C=C\C[NH2+]CCNS(=O)(=O)c1sc(=O)[nH]c1C ZINC000482507105 531398879 /nfs/dbraw/zinc/39/88/79/531398879.db2.gz IBBYQLDWQLLOQT-ALCCZGGFSA-N 1 0 383.495 1.747 20 0 GDADRO CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267125462 531400640 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GDADRO O=C(C[N@H+]1CCC[C@H](O)CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000293181893 531406104 /nfs/dbraw/zinc/40/61/04/531406104.db2.gz PSONSEFCLDQQAL-AWEZNQCLSA-N 1 0 387.311 1.884 20 0 GDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc[nH]c(=O)c1Br ZINC000446159032 531406931 /nfs/dbraw/zinc/40/69/31/531406931.db2.gz VNVLZAHHGSZMFH-UHFFFAOYSA-N 1 0 393.241 1.963 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)c2cnn(C)c2I)CC[N@@H+]1C ZINC000293189876 531407330 /nfs/dbraw/zinc/40/73/30/531407330.db2.gz NRMYDRGHHRMYTO-NXEZZACHSA-N 1 0 376.242 1.579 20 0 GDADRO CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@]3([NH+](C)C)CCSC3)cc21 ZINC000267182316 531408388 /nfs/dbraw/zinc/40/83/88/531408388.db2.gz NAZBBFNQRKSRKH-QGZVFWFLSA-N 1 0 383.539 1.311 20 0 GDADRO Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531319043 531409054 /nfs/dbraw/zinc/40/90/54/531409054.db2.gz ZCROYLRPLOIBCY-OAHLLOKOSA-N 1 0 384.889 1.359 20 0 GDADRO CCc1nc(CN(C)S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)cs1 ZINC000530482014 531396011 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GDADRO CN(C)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc[nH+]1 ZINC000267218241 531412609 /nfs/dbraw/zinc/41/26/09/531412609.db2.gz HPIGTDLSNFRDKI-UHFFFAOYSA-N 1 0 384.483 1.199 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cnn(C)c1I ZINC000293271098 531412656 /nfs/dbraw/zinc/41/26/56/531412656.db2.gz HKYMACHMIYKNHR-NSHDSACASA-N 1 0 390.269 1.971 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000293292278 531413625 /nfs/dbraw/zinc/41/36/25/531413625.db2.gz SCBHZGOBADONFS-KRWDZBQOSA-N 1 0 396.285 1.950 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)c2csc(S(N)(=O)=O)c2)c(F)c1 ZINC000413899386 531421000 /nfs/dbraw/zinc/42/10/00/531421000.db2.gz IOJWDLJANUABHD-UHFFFAOYSA-N 1 0 387.458 1.727 20 0 GDADRO CCN(CC)S(=O)(=O)CC(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413901649 531421705 /nfs/dbraw/zinc/42/17/05/531421705.db2.gz NEAGVZYOKBRBGM-UHFFFAOYSA-N 1 0 375.466 1.376 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(Br)c1 ZINC000447245769 531422172 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385.555 1.726 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000447253802 531424001 /nfs/dbraw/zinc/42/40/01/531424001.db2.gz BYGHBRQWWDFGBL-GHMZBOCLSA-N 1 0 376.320 1.873 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cc(F)cc(Br)c3F)C[C@H]2C1 ZINC000279314389 531425188 /nfs/dbraw/zinc/42/51/88/531425188.db2.gz NYTAIHOBHJNFHW-DTORHVGOSA-N 1 0 388.212 1.686 20 0 GDADRO CCC[C@H](CCCS(C)(=O)=O)C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000447581031 531430846 /nfs/dbraw/zinc/43/08/46/531430846.db2.gz RXELYXTZKJVWFR-MRXNPFEDSA-N 1 0 376.563 1.579 20 0 GDADRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414121801 531431318 /nfs/dbraw/zinc/43/13/18/531431318.db2.gz AOFUWVXXYKIMIJ-PWSUYJOCSA-N 1 0 376.320 1.457 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC000293595972 531431553 /nfs/dbraw/zinc/43/15/53/531431553.db2.gz CNBORZAUVSVNBE-SNVBAGLBSA-N 1 0 391.946 1.995 20 0 GDADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414124081 531431559 /nfs/dbraw/zinc/43/15/59/531431559.db2.gz BTHJHTMFOFBJMN-BPLDGKMQSA-N 1 0 389.290 1.409 20 0 GDADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3ccncc3Br)n2)CC1 ZINC000350925878 531429297 /nfs/dbraw/zinc/42/92/97/531429297.db2.gz KXPFXENQGZOKME-UHFFFAOYSA-N 1 0 394.273 1.989 20 0 GDADRO C[C@H]1C[C@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC[NH2+]1 ZINC000447509333 531430147 /nfs/dbraw/zinc/43/01/47/531430147.db2.gz FQXAKSYJTCCQLM-CMPLNLGQSA-N 1 0 394.269 1.692 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414263647 531436654 /nfs/dbraw/zinc/43/66/54/531436654.db2.gz PLPHBVHWLYUCSB-NSHDSACASA-N 1 0 379.320 1.802 20 0 GDADRO C[NH+]1CCN(C[C@@H](O)COc2ccc(I)cc2)CC1 ZINC000414165621 531432486 /nfs/dbraw/zinc/43/24/86/531432486.db2.gz PZVJLFVNIAUDFT-CYBMUJFWSA-N 1 0 376.238 1.278 20 0 GDADRO CC[NH+](CC)CCNC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000485465703 531433654 /nfs/dbraw/zinc/43/36/54/531433654.db2.gz NIZKJZYMPQMYKF-CYBMUJFWSA-N 1 0 388.306 1.830 20 0 GDADRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414193642 531434124 /nfs/dbraw/zinc/43/41/24/531434124.db2.gz WYGUACCYVDVSQX-KPXOXKRLSA-N 1 0 379.276 1.161 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Cl ZINC000293636531 531434481 /nfs/dbraw/zinc/43/44/81/531434481.db2.gz JEZLDKHRQSMGMK-OKILXGFUSA-N 1 0 385.917 1.662 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000293759043 531441999 /nfs/dbraw/zinc/44/19/99/531441999.db2.gz XAKFTMDNQFKUDR-UHFFFAOYSA-N 1 0 384.322 1.282 20 0 GDADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCSC(C)(C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000267594365 531437656 /nfs/dbraw/zinc/43/76/56/531437656.db2.gz JZRMRNFZXRCPPR-STQMWFEESA-N 1 0 385.555 1.727 20 0 GDADRO Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)C[N@@H+](C)[C@@H]2CCSC2)s1 ZINC000534304324 531439023 /nfs/dbraw/zinc/43/90/23/531439023.db2.gz HCIMRTBJBAKQPC-VXGBXAGGSA-N 1 0 386.568 1.729 20 0 GDADRO O=S(=O)(CC[NH2+][C@H](CO)[C@H]1CCCO1)c1cccc(Br)c1 ZINC000447913275 531440511 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Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](CC[NH3+])C(F)(F)F)s1 ZINC000449724133 531475052 /nfs/dbraw/zinc/47/50/52/531475052.db2.gz SJDYKFJJUUCSMZ-MNOVXSKESA-N 1 0 399.460 1.606 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000487573235 531475193 /nfs/dbraw/zinc/47/51/93/531475193.db2.gz NJWGKCJITNYSBV-UHFFFAOYSA-N 1 0 393.351 1.722 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000449729234 531475333 /nfs/dbraw/zinc/47/53/33/531475333.db2.gz ZCOSYUITLCFFJD-ZDUSSCGKSA-N 1 0 381.420 1.727 20 0 GDADRO COC(=O)c1sccc1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415329728 531475551 /nfs/dbraw/zinc/47/55/51/531475551.db2.gz JWIPYGSQUSPVJL-SNVBAGLBSA-N 1 0 380.392 1.492 20 0 GDADRO [NH3+]CC(=O)N1CCC[C@H](CN2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000414670374 531461462 /nfs/dbraw/zinc/46/14/62/531461462.db2.gz DCVCSYOVOAZQQY-CYBMUJFWSA-N 1 0 386.327 1.708 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C[C@H](C)N1C ZINC000294107517 531461941 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Cc1ccc(I)cc1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415264236 531468857 /nfs/dbraw/zinc/46/88/57/531468857.db2.gz IWIHDYJOIHLWCV-LLVKDONJSA-N 1 0 387.221 1.488 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)CCSC1 ZINC000268031619 531469058 /nfs/dbraw/zinc/46/90/58/531469058.db2.gz MJONTENPSMBVLB-PBHICJAKSA-N 1 0 384.933 1.993 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415264323 531469314 /nfs/dbraw/zinc/46/93/14/531469314.db2.gz CAYLAGJSSJBWLM-LBPRGKRZSA-N 1 0 392.257 1.523 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc(F)cc1I ZINC000415254474 531469405 /nfs/dbraw/zinc/46/94/05/531469405.db2.gz SMISOJVIVTURJM-JTQLQIEISA-N 1 0 393.200 1.930 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CCC([NH3+])CC2)cc1I ZINC000415262723 531469431 /nfs/dbraw/zinc/46/94/31/531469431.db2.gz GYFTVTJMVRVCJT-UHFFFAOYSA-N 1 0 387.221 1.488 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2Br)C1 ZINC000449322597 531469980 /nfs/dbraw/zinc/46/99/80/531469980.db2.gz YCPXFJSJUJALMO-GFCCVEGCSA-N 1 0 394.310 1.949 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH2+]CC2)cc1I ZINC000415271690 531470612 /nfs/dbraw/zinc/47/06/12/531470612.db2.gz QURZRKZPNHOQES-UHFFFAOYSA-N 1 0 387.221 1.406 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1I ZINC000415272812 531470647 /nfs/dbraw/zinc/47/06/47/531470647.db2.gz QNZZWLBNXVCYFI-SNVBAGLBSA-N 1 0 387.221 1.488 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[NH2+]CC2)nn1-c1ccc(Cl)cc1Cl ZINC000415285381 531471260 /nfs/dbraw/zinc/47/12/60/531471260.db2.gz ROVJVGXWRIMTRI-UHFFFAOYSA-N 1 0 382.251 1.858 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000415290375 531471604 /nfs/dbraw/zinc/47/16/04/531471604.db2.gz CKGUOKXPVNSJSB-MRVPVSSYSA-N 1 0 393.612 1.443 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000415288001 531471799 /nfs/dbraw/zinc/47/17/99/531471799.db2.gz XQMXISHRVBLYKM-UHFFFAOYSA-N 1 0 383.290 1.108 20 0 GDADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000415348469 531477814 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C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)C1 ZINC000415361916 531479300 /nfs/dbraw/zinc/47/93/00/531479300.db2.gz OGZMSNUMPHLRIH-LBPRGKRZSA-N 1 0 384.274 1.915 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cc(I)ccc2Cl)C1 ZINC000415365787 531479673 /nfs/dbraw/zinc/47/96/73/531479673.db2.gz CWOIQLLVYMJVKU-QMMMGPOBSA-N 1 0 393.612 1.443 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2Br)C1 ZINC000415370615 531480184 /nfs/dbraw/zinc/48/01/84/531480184.db2.gz DWDPRLBYIJVUKU-JTQLQIEISA-N 1 0 398.257 1.385 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000487979236 531480297 /nfs/dbraw/zinc/48/02/97/531480297.db2.gz ZMGONHAOJZVIRP-KZNAEPCWSA-N 1 0 376.563 1.954 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)C1 ZINC000415373721 531480548 /nfs/dbraw/zinc/48/05/48/531480548.db2.gz JGJQFWMAXGQDJJ-SNVBAGLBSA-N 1 0 381.889 1.951 20 0 GDADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415378154 531480891 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COC(=O)c1cc(NC(=O)N2CCCO[C@H](C[NH3+])C2)ccc1Br ZINC000415407373 531483464 /nfs/dbraw/zinc/48/34/64/531483464.db2.gz PNXICHFFECFZHR-LLVKDONJSA-N 1 0 386.246 1.817 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000415410426 531483813 /nfs/dbraw/zinc/48/38/13/531483813.db2.gz FJEFWSQSVOPWCT-SECBINFHSA-N 1 0 388.262 1.377 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415412817 531484578 /nfs/dbraw/zinc/48/45/78/531484578.db2.gz NHMFXGXKWAFBQE-NSHDSACASA-N 1 0 394.273 1.545 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000268207220 531484694 /nfs/dbraw/zinc/48/46/94/531484694.db2.gz YSHQMTBHAIEYHR-LLVKDONJSA-N 1 0 388.237 1.364 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c(C)cc1Br ZINC000415430789 531485002 /nfs/dbraw/zinc/48/50/02/531485002.db2.gz JYXRJCQVNLRNJH-JTQLQIEISA-N 1 0 398.257 1.303 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1Br ZINC000415430265 531485179 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C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415493776 531490566 /nfs/dbraw/zinc/49/05/66/531490566.db2.gz MFBQJYDGMKHLML-QMMMGPOBSA-N 1 0 376.201 1.876 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415528928 531491417 /nfs/dbraw/zinc/49/14/17/531491417.db2.gz SLFBIARYNMUDOE-MNOVXSKESA-N 1 0 384.274 1.982 20 0 GDADRO [NH3+]CCN(CCO)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415526289 531491937 /nfs/dbraw/zinc/49/19/37/531491937.db2.gz YKJZXKAWLGMWOW-UHFFFAOYSA-N 1 0 382.262 1.479 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000545984706 531492815 /nfs/dbraw/zinc/49/28/15/531492815.db2.gz OGCUFSAXCVZMBT-MGPQQGTHSA-N 1 0 389.543 1.620 20 0 GDADRO C[NH+](C)CCCN(C(=O)CSc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000268135972 531478121 /nfs/dbraw/zinc/47/81/21/531478121.db2.gz CIBDAHKYBAKFQP-CQSZACIVSA-N 1 0 386.539 1.452 20 0 GDADRO CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000581702351 531511141 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CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(I)cc1 ZINC000295102587 531522249 /nfs/dbraw/zinc/52/22/49/531522249.db2.gz SYLUOXUDCWMVLK-LBPRGKRZSA-N 1 0 382.267 1.709 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(C(F)F)cc2)C1 ZINC000557813263 531523060 /nfs/dbraw/zinc/52/30/60/531523060.db2.gz YRICBBBPWSHGIE-ZDUSSCGKSA-N 1 0 375.441 1.490 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)c(F)c1 ZINC000450969347 531523120 /nfs/dbraw/zinc/52/31/20/531523120.db2.gz OVJOHAOPWUDBQU-UHFFFAOYSA-N 1 0 381.495 1.207 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc(I)c1 ZINC000415743612 531523518 /nfs/dbraw/zinc/52/35/18/531523518.db2.gz OIGHEXFGFGBXMN-JTQLQIEISA-N 1 0 389.237 1.863 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658703380 531524181 /nfs/dbraw/zinc/52/41/81/531524181.db2.gz OZACKBYVYMOPIJ-CYBMUJFWSA-N 1 0 399.333 1.735 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415763358 531526659 /nfs/dbraw/zinc/52/66/59/531526659.db2.gz 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CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416004562 531551740 /nfs/dbraw/zinc/55/17/40/531551740.db2.gz IOXSKDCKIVYHDS-AAEUAGOBSA-N 1 0 381.420 1.818 20 0 GDADRO CCc1nsc(N2CCCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)n1 ZINC000416008309 531551807 /nfs/dbraw/zinc/55/18/07/531551807.db2.gz NSCILZVOXVYFDX-SNVBAGLBSA-N 1 0 380.440 1.602 20 0 GDADRO Nc1ncc(Br)cc1CNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415954960 531552184 /nfs/dbraw/zinc/55/21/84/531552184.db2.gz HHGARGAPJLLHMZ-LBPRGKRZSA-N 1 0 391.273 1.959 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC[N@@H+](C2CC2)C1 ZINC000295273043 531552552 /nfs/dbraw/zinc/55/25/52/531552552.db2.gz GZHWFMJRMBELLG-CYBMUJFWSA-N 1 0 385.555 1.396 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000659686179 531552788 /nfs/dbraw/zinc/55/27/88/531552788.db2.gz WOMAZJIGXBIQIE-QWHCGFSZSA-N 1 0 397.317 1.116 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000558206455 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GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H]2CCc3cc(Cl)ccc32)CCSC1 ZINC000636556780 531562794 /nfs/dbraw/zinc/56/27/94/531562794.db2.gz FMSNIDJQJSXVPP-MAUKXSAKSA-N 1 0 381.929 1.997 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC[C@H]1Sc2ccccc2NC1=O ZINC000659837565 531562971 /nfs/dbraw/zinc/56/29/71/531562971.db2.gz JNWPAZYFAZXTEE-CZUORRHYSA-N 1 0 383.539 1.893 20 0 GDADRO O=C(NCc1csc(C(F)(F)F)c1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636570678 531563870 /nfs/dbraw/zinc/56/38/70/531563870.db2.gz TYMOFOUZDHTNRV-SNVBAGLBSA-N 1 0 375.416 1.984 20 0 GDADRO CC[NH+](CC)CC1CCN(S(=O)(=O)C[C@]2(OC(C)C)CCOC2)CC1 ZINC000659915252 531569639 /nfs/dbraw/zinc/56/96/39/531569639.db2.gz GQETUIYSYOECDK-SFHVURJKSA-N 1 0 376.563 1.954 20 0 GDADRO CN(C)c1ncc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cn1 ZINC000268799419 531571286 /nfs/dbraw/zinc/57/12/86/531571286.db2.gz PICBKRBDKUBSJJ-CYBMUJFWSA-N 1 0 381.274 1.835 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281051112 531572897 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GDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2)n1 ZINC000559843203 531612026 /nfs/dbraw/zinc/61/20/26/531612026.db2.gz FKRXQPJMOVTHEW-UHFFFAOYSA-N 1 0 380.246 1.784 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)C(F)(F)F ZINC000584052481 531610351 /nfs/dbraw/zinc/61/03/51/531610351.db2.gz MAFSKRZNLPKAFW-SNVBAGLBSA-N 1 0 376.360 1.927 20 0 GDADRO Cc1cccc(Br)c1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000637227767 531615045 /nfs/dbraw/zinc/61/50/45/531615045.db2.gz HVSCXMHFQWFPDY-HNNXBMFYSA-N 1 0 396.329 1.894 20 0 GDADRO Cn1cc(Br)c(CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)n1 ZINC000637196887 531613112 /nfs/dbraw/zinc/61/31/12/531613112.db2.gz XVLGRRBYNJQOQQ-UHFFFAOYSA-N 1 0 396.293 1.968 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)s1 ZINC000416428504 531613141 /nfs/dbraw/zinc/61/31/41/531613141.db2.gz UZURJNBYIHZHNE-NSHDSACASA-N 1 0 382.463 1.622 20 0 GDADRO CC(C)[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)N1CCOCC1 ZINC000559896346 531613666 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O=C(NCc1cccc2c1CC[NH2+]C2)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000638846796 531669358 /nfs/dbraw/zinc/66/93/58/531669358.db2.gz DCXRGMFAVXCPRB-UONOGXRCSA-N 1 0 376.400 1.172 20 0 GDADRO O=C(Nc1nnc(C(F)(F)F)s1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000365414980 531648395 /nfs/dbraw/zinc/64/83/95/531648395.db2.gz NJBGVCIBHVHDSW-JTQLQIEISA-N 1 0 379.408 2.133 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC000269342400 531648850 /nfs/dbraw/zinc/64/88/50/531648850.db2.gz PKEVHDZAWAFNAK-LSDHHAIUSA-N 1 0 391.490 1.102 20 0 GDADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(I)cc2)C1 ZINC000416498041 531648975 /nfs/dbraw/zinc/64/89/75/531648975.db2.gz VUZQXPNJNNQRMJ-SNVBAGLBSA-N 1 0 380.251 1.521 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)CCOCC2CCCC2)CC1 ZINC000416498161 531649885 /nfs/dbraw/zinc/64/98/85/531649885.db2.gz WTGBGQVGNGBFOE-UHFFFAOYSA-N 1 0 375.579 1.529 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000638880652 531670662 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CC[C@@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C[C@H](C)[NH2+]1 ZINC000620906499 531737684 /nfs/dbraw/zinc/73/76/84/531737684.db2.gz ZUROMEOPGGDOQN-WCQYABFASA-N 1 0 396.285 1.773 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000366357774 531739685 /nfs/dbraw/zinc/73/96/85/531739685.db2.gz IVZDRDYFDUWCFE-CQSZACIVSA-N 1 0 388.331 1.936 20 0 GDADRO Nc1nn2c(nc(C[N@@H+]3CC[C@@H](c4cccc(Br)c4)C3)cc2=O)[nH]1 ZINC000621299872 531744484 /nfs/dbraw/zinc/74/44/84/531744484.db2.gz TUSCVBNRVUGFRD-LLVKDONJSA-N 1 0 389.257 1.582 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000416914243 531744622 /nfs/dbraw/zinc/74/46/22/531744622.db2.gz LEARWURAISXPPK-NSHDSACASA-N 1 0 382.511 1.675 20 0 GDADRO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000562301264 531745035 /nfs/dbraw/zinc/74/50/35/531745035.db2.gz CKHLAAQVNUGVHR-CQSZACIVSA-N 1 0 396.285 1.713 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)s1 ZINC000416924276 531746021 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CC[C@@]1(C(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)CC[NH2+]C1 ZINC000366545912 531758178 /nfs/dbraw/zinc/75/81/78/531758178.db2.gz LQKVOFDBZNQAQM-QGZVFWFLSA-N 1 0 385.555 1.588 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417205778 531758905 /nfs/dbraw/zinc/75/89/05/531758905.db2.gz ITUJRNFJIUSAGZ-FZMZJTMJSA-N 1 0 383.290 1.476 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCc1cccc(Br)c1)C2 ZINC000621839848 531759696 /nfs/dbraw/zinc/75/96/96/531759696.db2.gz ZNQYPVIONPLOCB-SUMWQHHRSA-N 1 0 380.286 1.448 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417217632 531760287 /nfs/dbraw/zinc/76/02/87/531760287.db2.gz ZYJFNYLVWMXOEV-CQSZACIVSA-N 1 0 383.290 1.572 20 0 GDADRO CC(C)(C[NH+]1CCCC1)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000452098322 531761217 /nfs/dbraw/zinc/76/12/17/531761217.db2.gz TTXHNBITGAXPBY-UHFFFAOYSA-N 1 0 388.921 1.390 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000562522756 531761526 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C[NH+]1CCC(CCO)(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000622490190 531781734 /nfs/dbraw/zinc/78/17/34/531781734.db2.gz LTCHHVWLBXROEQ-UHFFFAOYSA-N 1 0 389.905 1.288 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417582170 531781921 /nfs/dbraw/zinc/78/19/21/531781921.db2.gz HRYINJMIYGATRK-CYBMUJFWSA-N 1 0 383.290 1.540 20 0 GDADRO CS(=O)(=O)CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000417603993 531782292 /nfs/dbraw/zinc/78/22/92/531782292.db2.gz AQBCWLHYOWEVQC-DOMZBBRYSA-N 1 0 375.441 1.144 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(Cc2nc3ccc(Br)cc3n2C)nn1 ZINC000641173045 531782699 /nfs/dbraw/zinc/78/26/99/531782699.db2.gz IVJYLPPDIJTFCR-NSHDSACASA-N 1 0 379.262 1.492 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)C[C@@H]1[NH+](C)C ZINC000282673579 531782854 /nfs/dbraw/zinc/78/28/54/531782854.db2.gz QQNUXGWHSSUBQK-STQMWFEESA-N 1 0 377.919 1.105 20 0 GDADRO O=C(NCCNC(=O)c1cccc(Br)c1)NCCC1=CC[NH2+]CC1 ZINC000417431203 531769188 /nfs/dbraw/zinc/76/91/88/531769188.db2.gz KOZRMGKVAXDBGY-UHFFFAOYSA-N 1 0 395.301 1.788 20 0 GDADRO C[C@H]1C[N@H+](CCO)CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000452121188 531769440 /nfs/dbraw/zinc/76/94/40/531769440.db2.gz GJMIPOXFMGAEPL-SWLSCSKDSA-N 1 0 391.281 1.326 20 0 GDADRO C[N@@H+]1CCC[C@@H](CCNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000562660803 531769451 /nfs/dbraw/zinc/76/94/51/531769451.db2.gz JQAGJCSVCMMAJG-NSHDSACASA-N 1 0 379.935 1.528 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2SCC(N)=O)[C@@H]1SC ZINC000592168500 531770067 /nfs/dbraw/zinc/77/00/67/531770067.db2.gz JSHYSLWZXJWMED-XNJGSVPQSA-N 1 0 383.539 1.701 20 0 GDADRO O=C(NCCc1ccc(I)s1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417439990 531771226 /nfs/dbraw/zinc/77/12/26/531771226.db2.gz NGTZCXSVHHHWKM-KOLCDFICSA-N 1 0 391.278 1.899 20 0 GDADRO O=C(Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1)Nc1ccc(Br)cn1 ZINC000640896897 531771639 /nfs/dbraw/zinc/77/16/39/531771639.db2.gz NAQMVGZALBRRFG-NSHDSACASA-N 1 0 379.262 1.616 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417436633 531771979 /nfs/dbraw/zinc/77/19/79/531771979.db2.gz PBOUJDOTVPLCAF-GFCCVEGCSA-N 1 0 383.290 1.559 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cccc(I)c1 ZINC000452355225 531772061 /nfs/dbraw/zinc/77/20/61/531772061.db2.gz XMNIJGLWRMQTQU-AWEZNQCLSA-N 1 0 388.249 1.868 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417445396 531772638 /nfs/dbraw/zinc/77/26/38/531772638.db2.gz ZORMJLMKTUHPHO-UKRRQHHQSA-N 1 0 397.317 1.996 20 0 GDADRO C[C@@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000417444488 531773357 /nfs/dbraw/zinc/77/33/57/531773357.db2.gz YNZGHAHKFHQWLX-TZMCWYRMSA-N 1 0 397.317 1.866 20 0 GDADRO Brc1ccccc1-n1nnnc1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000641026951 531773356 /nfs/dbraw/zinc/77/33/56/531773356.db2.gz KNKKLMIDQAWVSF-UHFFFAOYSA-N 1 0 389.261 1.532 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000641034647 531773966 /nfs/dbraw/zinc/77/39/66/531773966.db2.gz UAAJKHNTKPHKIV-CABCVRRESA-N 1 0 395.301 1.774 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)N[C@H]1CCC[NH2+]CC1 ZINC000641023552 531774068 /nfs/dbraw/zinc/77/40/68/531774068.db2.gz FVFZYVFLRIYQBF-QWHCGFSZSA-N 1 0 386.290 1.630 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000592222933 531774413 /nfs/dbraw/zinc/77/44/13/531774413.db2.gz NHPFLQYVBLIUPI-HNNXBMFYSA-N 1 0 398.301 1.420 20 0 GDADRO O=C(NCCCNC(=O)c1ccc(Br)cc1)N[C@H]1CCC[NH2+]C1 ZINC000417469131 531774606 /nfs/dbraw/zinc/77/46/06/531774606.db2.gz ZDUMKUIROFXVHQ-AWEZNQCLSA-N 1 0 383.290 1.620 20 0 GDADRO Brc1ccccc1OCCn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641058422 531775786 /nfs/dbraw/zinc/77/57/86/531775786.db2.gz QKJRUUPQWNRIMZ-UHFFFAOYSA-N 1 0 380.290 1.567 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CCO1 ZINC000417479122 531776606 /nfs/dbraw/zinc/77/66/06/531776606.db2.gz JMJWMUQKKWXNJM-UKRRQHHQSA-N 1 0 383.290 1.397 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000417492226 531776922 /nfs/dbraw/zinc/77/69/22/531776922.db2.gz UQTVRCIVMPMGMP-AWEZNQCLSA-N 1 0 383.290 1.606 20 0 GDADRO CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000282613805 531777149 /nfs/dbraw/zinc/77/71/49/531777149.db2.gz LGTQNVZTWWZZSV-SNVBAGLBSA-N 1 0 381.830 1.763 20 0 GDADRO COc1ccc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(I)c1 ZINC000592310811 531778393 /nfs/dbraw/zinc/77/83/93/531778393.db2.gz YTDWSAYNDCXBCJ-RNCFNFMXSA-N 1 0 390.221 1.488 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2cccc(Br)c2)C1 ZINC000592311771 531778468 /nfs/dbraw/zinc/77/84/68/531778468.db2.gz CSGIDNYOTYTPFK-HNNXBMFYSA-N 1 0 398.301 1.406 20 0 GDADRO C[C@@H](CN1CCOCC1)N1CCC(O)(c2scnc2Br)CC1 ZINC000366798443 531779933 /nfs/dbraw/zinc/77/99/33/531779933.db2.gz FNMUQBIZVALABA-LBPRGKRZSA-N 1 0 390.347 1.910 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CCO1 ZINC000667398799 531780060 /nfs/dbraw/zinc/78/00/60/531780060.db2.gz WBRFEPKXJOEIMR-UFBFGSQYSA-N 1 0 390.665 1.616 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCCNC(=O)N(C)CC[NH3+])c1 ZINC000417557379 531780042 /nfs/dbraw/zinc/78/00/42/531780042.db2.gz BKRJDECTZQVRJC-UHFFFAOYSA-N 1 0 387.278 1.178 20 0 GDADRO COCC(COC)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000641307764 531800735 /nfs/dbraw/zinc/80/07/35/531800735.db2.gz KGQODMABJHPLGI-CQSZACIVSA-N 1 0 376.544 1.541 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418086119 531801361 /nfs/dbraw/zinc/80/13/61/531801361.db2.gz BRWNSXFVSQCWNI-BXUZGUMPSA-N 1 0 381.274 1.545 20 0 GDADRO [NH3+][C@@H](CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000418087696 531801604 /nfs/dbraw/zinc/80/16/04/531801604.db2.gz HYERBPVDPOGDFO-KBPBESRZSA-N 1 0 381.274 1.591 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417592233 531783816 /nfs/dbraw/zinc/78/38/16/531783816.db2.gz YIBNJBSWZDQFSL-CQSZACIVSA-N 1 0 397.317 1.930 20 0 GDADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCc2ccc(Br)cc21 ZINC000667629109 531783873 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CC[N@H+](C)C[C@H](O)Cn1cc(C(=O)c2ccc(Br)cc2F)nn1 ZINC000641221220 531788528 /nfs/dbraw/zinc/78/85/28/531788528.db2.gz DXZLLMNTVKYNBH-NSHDSACASA-N 1 0 385.237 1.723 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000269867682 531789761 /nfs/dbraw/zinc/78/97/61/531789761.db2.gz TWXAVIAFOIBJQO-HNNXBMFYSA-N 1 0 392.930 1.842 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N(C)CC[C@H]([NH3+])C(C)C)c(C)s1 ZINC000417914964 531790026 /nfs/dbraw/zinc/79/00/26/531790026.db2.gz SXVIEMRABYUOQP-AWEZNQCLSA-N 1 0 390.575 1.658 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000417922969 531790621 /nfs/dbraw/zinc/79/06/21/531790621.db2.gz GAEGGUWFFZDYDI-UWVGGRQHSA-N 1 0 380.923 1.106 20 0 GDADRO Cc1nc(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)sc1SCC(N)=O ZINC000592491641 531791155 /nfs/dbraw/zinc/79/11/55/531791155.db2.gz CLZGPINMFQSSOM-VIFPVBQESA-N 1 0 380.499 1.314 20 0 GDADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000297464634 531793547 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[NH3+]CCCNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000418318458 531822116 /nfs/dbraw/zinc/82/21/16/531822116.db2.gz AHADHXYUHLIGQE-UHFFFAOYSA-N 1 0 389.283 1.575 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000418385252 531823511 /nfs/dbraw/zinc/82/35/11/531823511.db2.gz KHLHNLMCJZEIIT-NSHDSACASA-N 1 0 394.950 1.273 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418378991 531823563 /nfs/dbraw/zinc/82/35/63/531823563.db2.gz KCRCACSPLANHNR-LLVKDONJSA-N 1 0 389.319 1.520 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)c1OC ZINC000563252580 531823593 /nfs/dbraw/zinc/82/35/93/531823593.db2.gz SJPQQJMVGVRKRF-PHIMTYICSA-N 1 0 388.873 1.317 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NC1CC(NS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000669888948 531823672 /nfs/dbraw/zinc/82/36/72/531823672.db2.gz HRIPMXNWWDRQKJ-YMAMQOFZSA-N 1 0 388.921 1.322 20 0 GDADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000418387965 531823858 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388.917 1.686 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2ccncc2N)c1 ZINC000641755281 531851089 /nfs/dbraw/zinc/85/10/89/531851089.db2.gz XRKPWWWSJDVLTF-UHFFFAOYSA-N 1 0 399.314 1.803 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12)C1CC1 ZINC000418843997 531851514 /nfs/dbraw/zinc/85/15/14/531851514.db2.gz LBALFHSFXPVLEM-OAHLLOKOSA-N 1 0 393.285 1.443 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2cccc(Br)c2)C1 ZINC000418846321 531852403 /nfs/dbraw/zinc/85/24/03/531852403.db2.gz RHUGBHJGXXKLJG-HIFRSBDPSA-N 1 0 396.329 1.954 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418846666 531852675 /nfs/dbraw/zinc/85/26/75/531852675.db2.gz SHDOCVLWBDWRMV-LALPHHSUSA-N 1 0 382.302 1.611 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418848010 531853044 /nfs/dbraw/zinc/85/30/44/531853044.db2.gz XAOYMGBVVLWJMN-WFASDCNBSA-N 1 0 382.302 1.755 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418846255 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GDADRO [NH3+]C1(CNS(=O)(=O)c2cc(Cl)cc(Br)c2)CCOCC1 ZINC000624388451 531840811 /nfs/dbraw/zinc/84/08/11/531840811.db2.gz XWLLWYKGFZWWQZ-UHFFFAOYSA-N 1 0 383.695 1.889 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000418789321 531840828 /nfs/dbraw/zinc/84/08/28/531840828.db2.gz WKAFALMJNVZFKS-QMTHXVAHSA-N 1 0 384.274 1.331 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000418785047 531840914 /nfs/dbraw/zinc/84/09/14/531840914.db2.gz QMKCZQISEGWQAN-HZMBPMFUSA-N 1 0 384.274 1.188 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000418785050 531841098 /nfs/dbraw/zinc/84/10/98/531841098.db2.gz QMKCZQISEGWQAN-YGRLFVJLSA-N 1 0 384.274 1.188 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624387563 531841279 /nfs/dbraw/zinc/84/12/79/531841279.db2.gz UVNGAPPTGXRJSG-UHFFFAOYSA-N 1 0 393.303 1.552 20 0 GDADRO C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C[NH2+]1 ZINC000624405378 531842438 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381.274 1.374 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000418866082 531857975 /nfs/dbraw/zinc/85/79/75/531857975.db2.gz MKVOCHCLARRNPI-MNOVXSKESA-N 1 0 383.290 1.607 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000642351367 531858191 /nfs/dbraw/zinc/85/81/91/531858191.db2.gz GXGXACYBGPFDEL-ZDUSSCGKSA-N 1 0 382.258 1.257 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563660135 531858798 /nfs/dbraw/zinc/85/87/98/531858798.db2.gz KYBKOYPYNZALAU-UHFFFAOYSA-N 1 0 382.302 1.913 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418878721 531859668 /nfs/dbraw/zinc/85/96/68/531859668.db2.gz AULJPBBSLRKZTO-PRHODGIISA-N 1 0 386.221 1.088 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418883451 531860110 /nfs/dbraw/zinc/86/01/10/531860110.db2.gz LRCTVGHOSNATPR-PELKAZGASA-N 1 0 388.237 1.252 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CCO1 ZINC000418897271 531861223 /nfs/dbraw/zinc/86/12/23/531861223.db2.gz WUXFAJRDMRWFLE-AVGNSLFASA-N 1 0 386.279 1.542 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000642700460 531861434 /nfs/dbraw/zinc/86/14/34/531861434.db2.gz LBSKXXJYOJKDFS-WCQYABFASA-N 1 0 398.326 1.970 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000563698679 531862247 /nfs/dbraw/zinc/86/22/47/531862247.db2.gz RZAADHUCSOHZEX-CYBMUJFWSA-N 1 0 396.285 1.427 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000418919363 531862921 /nfs/dbraw/zinc/86/29/21/531862921.db2.gz AMXSESCSXRVNOX-LLVKDONJSA-N 1 0 399.289 1.008 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000642726277 531863017 /nfs/dbraw/zinc/86/30/17/531863017.db2.gz HOAMIFLIZTVXRL-LBPRGKRZSA-N 1 0 382.302 1.841 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418917714 531863389 /nfs/dbraw/zinc/86/33/89/531863389.db2.gz BPBUITCQOLIMIW-MFKMUULPSA-N 1 0 386.265 1.491 20 0 GDADRO CCOC1(CS(=O)(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCOCC1 ZINC000624880354 531863613 /nfs/dbraw/zinc/86/36/13/531863613.db2.gz DBYUWDOVNUNXRM-UHFFFAOYSA-N 1 0 376.563 1.956 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642724380 531863793 /nfs/dbraw/zinc/86/37/93/531863793.db2.gz JZHXXUJMPMVRPF-ZDUSSCGKSA-N 1 0 384.274 1.332 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418927911 531864381 /nfs/dbraw/zinc/86/43/81/531864381.db2.gz XTTVTUGNETUWGY-IINYFYTJSA-N 1 0 386.265 1.361 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000418950470 531870682 /nfs/dbraw/zinc/87/06/82/531870682.db2.gz OXCYQBWIPKBKGR-STQMWFEESA-N 1 0 398.301 1.387 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1nnc(SC)s1)CC(C)C ZINC000283518622 531871108 /nfs/dbraw/zinc/87/11/08/531871108.db2.gz KALYBYXWTZMCOH-GFCCVEGCSA-N 1 0 387.575 1.749 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418946695 531871072 /nfs/dbraw/zinc/87/10/72/531871072.db2.gz LSXFQAWPYQVHTN-ZDUSSCGKSA-N 1 0 398.301 1.532 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1OC ZINC000564959806 531871192 /nfs/dbraw/zinc/87/11/92/531871192.db2.gz SOARNGOPBMPSHL-CYBMUJFWSA-N 1 0 391.921 1.702 20 0 GDADRO C[C@@H](c1ncc(Br)cn1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000367847116 531871562 /nfs/dbraw/zinc/87/15/62/531871562.db2.gz HEJIVMYMSSZBEP-SMDDNHRTSA-N 1 0 382.306 1.714 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1I ZINC000595243853 531871627 /nfs/dbraw/zinc/87/16/27/531871627.db2.gz XBZDFQBFLRWHKJ-UHFFFAOYSA-N 1 0 399.232 1.406 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595239932 531871757 /nfs/dbraw/zinc/87/17/57/531871757.db2.gz HMKLAWNBXVDGOC-UHFFFAOYSA-N 1 0 389.237 1.734 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418952993 531871807 /nfs/dbraw/zinc/87/18/07/531871807.db2.gz ZFPOTUOQJJTPBA-KMUNFCNLSA-N 1 0 380.286 1.667 20 0 GDADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000270460430 531872793 /nfs/dbraw/zinc/87/27/93/531872793.db2.gz ABGJQCVTUFJSHH-CHWSQXEVSA-N 1 0 376.475 1.278 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)C1 ZINC000418966029 531874571 /nfs/dbraw/zinc/87/45/71/531874571.db2.gz MLBYUWIXLGLRST-GFCCVEGCSA-N 1 0 383.279 1.954 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418991359 531875284 /nfs/dbraw/zinc/87/52/84/531875284.db2.gz MPUXNPJUAXOYPU-HIFRSBDPSA-N 1 0 382.302 1.742 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N(C)[C@H]2CCC[NH2+]CC2)ccc1Br ZINC000418984470 531875662 /nfs/dbraw/zinc/87/56/62/531875662.db2.gz DSGZRXDLYLHROL-AWEZNQCLSA-N 1 0 382.302 1.974 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1cccc(Br)c1)C1CCCC1 ZINC000418988908 531875674 /nfs/dbraw/zinc/87/56/74/531875674.db2.gz JNBZXSJEDISHFU-OAHLLOKOSA-N 1 0 382.302 1.742 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1cccc(Br)c1)C1CCCC1 ZINC000418988907 531876238 /nfs/dbraw/zinc/87/62/38/531876238.db2.gz JNBZXSJEDISHFU-HNNXBMFYSA-N 1 0 382.302 1.742 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1Br ZINC000418998291 531877033 /nfs/dbraw/zinc/87/70/33/531877033.db2.gz VQNZWYBHYIKCMW-KGLIPLIRSA-N 1 0 380.286 1.442 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000418995706 531877472 /nfs/dbraw/zinc/87/74/72/531877472.db2.gz DIZPWDSIQQDHLW-WDEREUQCSA-N 1 0 381.420 1.244 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC000418997404 531877546 /nfs/dbraw/zinc/87/75/46/531877546.db2.gz UNOCMOZYGMJUDR-OFQRWUPVSA-N 1 0 394.313 1.960 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000298338303 531877945 /nfs/dbraw/zinc/87/79/45/531877945.db2.gz QDBVCJVRFGZNIS-CYBMUJFWSA-N 1 0 399.333 1.546 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@H]2C[NH3+])cc1Br ZINC000419003971 531878225 /nfs/dbraw/zinc/87/82/25/531878225.db2.gz DTYRYIDNUWRZES-JQWIXIFHSA-N 1 0 384.274 1.585 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1csnn1 ZINC000566086450 531878259 /nfs/dbraw/zinc/87/82/59/531878259.db2.gz CIBGPLHGCZAJIL-QMTHXVAHSA-N 1 0 381.889 1.788 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2CC[NH2+]C2)cc1Br ZINC000419005536 531878289 /nfs/dbraw/zinc/87/82/89/531878289.db2.gz GOSXVFSOAGUGKQ-MNOVXSKESA-N 1 0 384.274 1.361 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1Br ZINC000419005264 531879385 /nfs/dbraw/zinc/87/93/85/531879385.db2.gz GAVCRQXWNLJTRW-LLVKDONJSA-N 1 0 398.301 1.832 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000566107804 531879872 /nfs/dbraw/zinc/87/98/72/531879872.db2.gz AFCDGRANVXOKBX-GFCCVEGCSA-N 1 0 385.313 1.651 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1Br ZINC000419010784 531880003 /nfs/dbraw/zinc/88/00/03/531880003.db2.gz QXPLJIJFRYCZPT-LLVKDONJSA-N 1 0 398.301 1.845 20 0 GDADRO Cc1sc(Br)cc1S(=O)(=O)NCCC[N@@H+](C)CCN(C)C ZINC000673580898 531880817 /nfs/dbraw/zinc/88/08/17/531880817.db2.gz RMUITXSNITXIME-UHFFFAOYSA-N 1 0 398.392 1.981 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cnc(OC)c(Cl)c2)C1 ZINC000645575204 531881217 /nfs/dbraw/zinc/88/12/17/531881217.db2.gz LATCLYZQSMCPKS-CYBMUJFWSA-N 1 0 391.921 1.865 20 0 GDADRO [NH3+]CC[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000566250765 531882259 /nfs/dbraw/zinc/88/22/59/531882259.db2.gz LQRVIMWNHMGDDR-LBPRGKRZSA-N 1 0 375.441 1.363 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419024025 531882802 /nfs/dbraw/zinc/88/28/02/531882802.db2.gz PVHBSLYLWJCTDJ-BXUZGUMPSA-N 1 0 396.285 1.457 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000367826009 531870110 /nfs/dbraw/zinc/87/01/10/531870110.db2.gz XNRUYFQOOBTXID-CYBMUJFWSA-N 1 0 375.288 1.878 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418948122 531870289 /nfs/dbraw/zinc/87/02/89/531870289.db2.gz MTTCPONLMIXJNM-CYBMUJFWSA-N 1 0 386.290 1.578 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000419050904 531891552 /nfs/dbraw/zinc/89/15/52/531891552.db2.gz FCFQEJYWACYQET-GFCCVEGCSA-N 1 0 387.267 1.068 20 0 GDADRO C[C@@H](O)CN1CCN(C(=O)c2ccc(I)cn2)[C@@H](C)C1 ZINC000456029373 531892441 /nfs/dbraw/zinc/89/24/41/531892441.db2.gz UKVOLQXLVHTOOP-WDEREUQCSA-N 1 0 389.237 1.213 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419052674 531892917 /nfs/dbraw/zinc/89/29/17/531892917.db2.gz IBROUDWGFQVUNG-UGSOOPFHSA-N 1 0 394.313 1.708 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419055937 531893285 /nfs/dbraw/zinc/89/32/85/531893285.db2.gz PHSLPUSQPKUESI-JSGCOSHPSA-N 1 0 382.302 1.836 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419055900 531893442 /nfs/dbraw/zinc/89/34/42/531893442.db2.gz OXUFHGOGCMQEPQ-LLVKDONJSA-N 1 0 398.276 1.671 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1C(F)(F)F ZINC000283777350 531893505 /nfs/dbraw/zinc/89/35/05/531893505.db2.gz CBEKDAIBISQQKH-JTQLQIEISA-N 1 0 380.388 1.817 20 0 GDADRO C[C@H]([NH3+])CNS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000647273878 531893655 /nfs/dbraw/zinc/89/36/55/531893655.db2.gz NBXHLYVFCPHIEQ-QMMMGPOBSA-N 1 0 384.285 1.086 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(I)cn1 ZINC000456043287 531893845 /nfs/dbraw/zinc/89/38/45/531893845.db2.gz ZFZSYWJHJCUTKL-LBPRGKRZSA-N 1 0 389.237 1.263 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419056362 531894659 /nfs/dbraw/zinc/89/46/59/531894659.db2.gz QYAXWNAGHHICCO-UONOGXRCSA-N 1 0 382.302 1.755 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1OC ZINC000270563167 531894888 /nfs/dbraw/zinc/89/48/88/531894888.db2.gz KWFPMJXCGVYYST-SMDDNHRTSA-N 1 0 378.491 1.509 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419058905 531895200 /nfs/dbraw/zinc/89/52/00/531895200.db2.gz WSQZGKBXHFRISG-UKRRQHHQSA-N 1 0 396.329 1.954 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419057177 531895474 /nfs/dbraw/zinc/89/54/74/531895474.db2.gz UCYJNCSYYKUDLV-DZGCQCFKSA-N 1 0 382.302 1.740 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419059741 531896419 /nfs/dbraw/zinc/89/64/19/531896419.db2.gz YEBLERBZJVAXIM-YCPHGPKFSA-N 1 0 394.313 1.707 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000419064528 531896487 /nfs/dbraw/zinc/89/64/87/531896487.db2.gz ICKYNLNMZOOGFP-CHWSQXEVSA-N 1 0 382.302 1.960 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419075600 531897278 /nfs/dbraw/zinc/89/72/78/531897278.db2.gz UWSSJQKVSGZYEK-UHFFFAOYSA-N 1 0 392.681 1.071 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)C[C@@H]1[NH+](C)C ZINC000270581608 531897491 /nfs/dbraw/zinc/89/74/91/531897491.db2.gz QWGQPZTZZVFZLD-LSDHHAIUSA-N 1 0 375.491 1.450 20 0 GDADRO CNS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2ccccc2SC)CC1 ZINC000298517325 531897713 /nfs/dbraw/zinc/89/77/13/531897713.db2.gz LDFJVIRSKOTNNE-UHFFFAOYSA-N 1 0 386.543 1.255 20 0 GDADRO C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000567609545 531899333 /nfs/dbraw/zinc/89/93/33/531899333.db2.gz PBXWYJSYCTXIKJ-WFASDCNBSA-N 1 0 398.301 1.591 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc(Br)c(F)c3)C[C@@H]12 ZINC000419044211 531888334 /nfs/dbraw/zinc/88/83/34/531888334.db2.gz SRVOXYIJKNPAOZ-MISXGVKJSA-N 1 0 384.249 1.400 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000419042503 531888590 /nfs/dbraw/zinc/88/85/90/531888590.db2.gz LOSDJECYDMWLJB-SNVBAGLBSA-N 1 0 375.803 1.626 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419044246 531888812 /nfs/dbraw/zinc/88/88/12/531888812.db2.gz SYCVABQADNCMBY-MFKMUULPSA-N 1 0 382.258 1.339 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)[C@H]1C[NH3+] ZINC000419044955 531889949 /nfs/dbraw/zinc/88/99/49/531889949.db2.gz UXGNINVLRVRLHN-HZMBPMFUSA-N 1 0 386.265 1.790 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419046369 531890279 /nfs/dbraw/zinc/89/02/79/531890279.db2.gz XXMQFCUUVVMHQW-MFKMUULPSA-N 1 0 382.258 1.257 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(Br)c2Cl)CC[C@H]1[NH3+] ZINC000419048467 531890931 /nfs/dbraw/zinc/89/09/31/531890931.db2.gz ACVJLJNKZAPGEB-BXKDBHETSA-N 1 0 388.693 1.914 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419048777 531890968 /nfs/dbraw/zinc/89/09/68/531890968.db2.gz APOMLMPLGNEYPI-JHJVBQTASA-N 1 0 382.302 1.705 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419159209 531906181 /nfs/dbraw/zinc/90/61/81/531906181.db2.gz NSLLQYJNCFIGJZ-MRVPVSSYSA-N 1 0 396.207 1.795 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)[C@@H](C[NH3+])C1 ZINC000567986876 531906819 /nfs/dbraw/zinc/90/68/19/531906819.db2.gz HRBUAEDTCWPZSE-HNNXBMFYSA-N 1 0 398.326 1.866 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c1Br ZINC000419164773 531907177 /nfs/dbraw/zinc/90/71/77/531907177.db2.gz MPTBKNJUTAUEND-CYBMUJFWSA-N 1 0 382.302 1.961 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c1Br ZINC000419164774 531907537 /nfs/dbraw/zinc/90/75/37/531907537.db2.gz MPTBKNJUTAUEND-ZDUSSCGKSA-N 1 0 382.302 1.961 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368372001 531907989 /nfs/dbraw/zinc/90/79/89/531907989.db2.gz YSHGRPKNOWFURW-HZMBPMFUSA-N 1 0 392.253 1.256 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419168026 531908622 /nfs/dbraw/zinc/90/86/22/531908622.db2.gz RLYCIYUUVKDZON-NWDGAFQWSA-N 1 0 388.295 1.822 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3ccc(Br)cc3)C[C@H]21 ZINC000419188628 531910422 /nfs/dbraw/zinc/91/04/22/531910422.db2.gz KEVMHLMUQOKFJJ-NUEKZKHPSA-N 1 0 394.313 1.694 20 0 GDADRO CC[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc(Cl)ccc1OC ZINC000675816651 531911915 /nfs/dbraw/zinc/91/19/15/531911915.db2.gz CXALFGCZNIGZOA-MRXNPFEDSA-N 1 0 389.949 1.967 20 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CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000626928111 531941825 /nfs/dbraw/zinc/94/18/25/531941825.db2.gz LQXQTLBWCFZOSN-STQMWFEESA-N 1 0 388.559 1.718 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000626912469 531941995 /nfs/dbraw/zinc/94/19/95/531941995.db2.gz AQHBKVIUXFILHB-MRVPVSSYSA-N 1 0 376.638 1.528 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419620686 531942360 /nfs/dbraw/zinc/94/23/60/531942360.db2.gz DZXAVBIIEXGGAS-SUNKGSAMSA-N 1 0 386.290 1.352 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000419620759 531942854 /nfs/dbraw/zinc/94/28/54/531942854.db2.gz QYCALLLRTOHOKP-YPMHNXCESA-N 1 0 384.274 1.201 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000419619946 531942969 /nfs/dbraw/zinc/94/29/69/531942969.db2.gz QHWNGTCHKOQUDH-GXTWGEPZSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)Oc1cccc(Br)c1 ZINC000419614117 531943020 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O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000419849728 531977722 /nfs/dbraw/zinc/97/77/22/531977722.db2.gz ZCKPRSDSVGJLFZ-HUUCEWRRSA-N 1 0 396.285 1.217 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419849182 531977777 /nfs/dbraw/zinc/97/77/77/531977777.db2.gz XWIKEAMNENUKTB-CYBMUJFWSA-N 1 0 384.274 1.155 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000419852190 531977868 /nfs/dbraw/zinc/97/78/68/531977868.db2.gz KYBTUNGVACCDES-UHFFFAOYSA-N 1 0 398.276 1.731 20 0 GDADRO C[N@@H+]1CCCC[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000628747458 531978562 /nfs/dbraw/zinc/97/85/62/531978562.db2.gz BLSDQBGWLBDQIM-NSHDSACASA-N 1 0 379.935 1.528 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000419976048 531992731 /nfs/dbraw/zinc/99/27/31/531992731.db2.gz BEONSWMFSDJOQK-NHYWBVRUSA-N 1 0 382.302 1.994 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000419984751 531993092 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CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000420024759 531998430 /nfs/dbraw/zinc/99/84/30/531998430.db2.gz ZDOUDMGJDGXWJO-CQSZACIVSA-N 1 0 386.290 1.386 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000370847364 532002060 /nfs/dbraw/zinc/00/20/60/532002060.db2.gz RFECLNFBARBOBG-RWMBFGLXSA-N 1 0 388.511 1.407 20 0 GDADRO CCn1ccnc1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000574899090 532001386 /nfs/dbraw/zinc/00/13/86/532001386.db2.gz LBGJBWIQHLGKNJ-UHFFFAOYSA-N 1 0 376.891 1.555 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(F)c3Cl)CCN2C1=O ZINC000574927596 532004080 /nfs/dbraw/zinc/00/40/80/532004080.db2.gz PFCNMMRURGZXEG-APPZFPTMSA-N 1 0 382.244 1.065 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CCC1 ZINC000420120564 532004725 /nfs/dbraw/zinc/00/47/25/532004725.db2.gz JUHCBNXRDWDTFO-AWEZNQCLSA-N 1 0 396.285 1.347 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420141751 532005628 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CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000631956014 532009094 /nfs/dbraw/zinc/00/90/94/532009094.db2.gz ROVUXJIUKTZXPX-ZDUSSCGKSA-N 1 0 390.912 1.576 20 0 GDADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCNS(=O)(=O)CCCOC)cc1 ZINC000284960340 532011898 /nfs/dbraw/zinc/01/18/98/532011898.db2.gz ZUCMUZOBVSWEDH-AWEZNQCLSA-N 1 0 392.543 1.087 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284972296 532012651 /nfs/dbraw/zinc/01/26/51/532012651.db2.gz AWZGDNJYWDFRDC-LSDHHAIUSA-N 1 0 396.285 1.628 20 0 GDADRO CCOc1cc(C[NH2+]CCNS(=O)(=O)Cc2ccon2)cc(Cl)c1O ZINC000459416446 532014788 /nfs/dbraw/zinc/01/47/88/532014788.db2.gz CFIRLAYRSDLKKK-UHFFFAOYSA-N 1 0 389.861 1.642 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(O)c1Br ZINC000459451486 532014961 /nfs/dbraw/zinc/01/49/61/532014961.db2.gz AWFOGDPQERNQAD-CMPLNLGQSA-N 1 0 377.304 1.962 20 0 GDADRO CCOc1cc(C[NH2+]CCCNS(=O)(=O)CC)cc(Br)c1O ZINC000459382751 532013620 /nfs/dbraw/zinc/01/36/20/532013620.db2.gz AEECFPRRRVYQNV-UHFFFAOYSA-N 1 0 395.319 1.972 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1C(F)(F)F ZINC000420451950 532016052 /nfs/dbraw/zinc/01/60/52/532016052.db2.gz ILNZKBPZHRSMBK-VHSXEESVSA-N 1 0 380.388 1.898 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000420452476 532016219 /nfs/dbraw/zinc/01/62/19/532016219.db2.gz SOJNFZZYJBUOQY-HNNXBMFYSA-N 1 0 391.559 1.880 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000271465532 532017069 /nfs/dbraw/zinc/01/70/69/532017069.db2.gz ZLTYIFNGCLEQFA-UHFFFAOYSA-N 1 0 395.305 1.248 20 0 GDADRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000271478295 532019543 /nfs/dbraw/zinc/01/95/43/532019543.db2.gz JXFAAOWQFNAETN-FENDNCTDSA-N 1 0 388.555 1.515 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Br)n2)[C@H](C)C1 ZINC000285059458 532025050 /nfs/dbraw/zinc/02/50/50/532025050.db2.gz FHUIWMVBXQFQOE-NEPJUHHUSA-N 1 0 383.290 1.971 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000576703428 532027425 /nfs/dbraw/zinc/02/74/25/532027425.db2.gz SCTLMPOMXLHMBZ-RKDXNWHRSA-N 1 0 398.312 1.474 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1F ZINC000599333171 532028244 /nfs/dbraw/zinc/02/82/44/532028244.db2.gz YJQOWLIPPHFLOL-GFCCVEGCSA-N 1 0 376.425 1.855 20 0 GDADRO COC(=O)Cc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1F ZINC000420662622 532034327 /nfs/dbraw/zinc/03/43/27/532034327.db2.gz BKDKDGSUWNCKJS-MRXNPFEDSA-N 1 0 390.502 1.257 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000271643226 532035061 /nfs/dbraw/zinc/03/50/61/532035061.db2.gz LJWRCHPYSGQOFQ-TVQRCGJNSA-N 1 0 381.274 1.690 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000285132400 532035897 /nfs/dbraw/zinc/03/58/97/532035897.db2.gz YLMSRSKONLXOSH-GFCCVEGCSA-N 1 0 382.302 1.707 20 0 GDADRO CNC(=O)C[C@@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000577399241 532036588 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Ic1cnc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000306116340 532052594 /nfs/dbraw/zinc/05/25/94/532052594.db2.gz ZUVLGTFSLJQVCG-NXEZZACHSA-N 1 0 379.267 1.701 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421213897 532052620 /nfs/dbraw/zinc/05/26/20/532052620.db2.gz AYNDQNNWBXQXPD-UHFFFAOYSA-N 1 0 380.286 1.891 20 0 GDADRO C[C@](O)(C[C@@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000634701630 532055070 /nfs/dbraw/zinc/05/50/70/532055070.db2.gz SMQGUZSQNCITDE-WBVHZDCISA-N 1 0 385.302 1.681 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)co1 ZINC000579127185 532056104 /nfs/dbraw/zinc/05/61/04/532056104.db2.gz TUJOKAMJEYCNGI-CQSZACIVSA-N 1 0 383.857 1.628 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000313360774 532057071 /nfs/dbraw/zinc/05/70/71/532057071.db2.gz XBCFQASNYOWZGO-LBPRGKRZSA-N 1 0 393.303 1.586 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000372990403 532057983 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C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000467718510 532062369 /nfs/dbraw/zinc/06/23/69/532062369.db2.gz QFTDOVPCIRPIPC-BLLLJJGKSA-N 1 0 385.917 1.607 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1OC ZINC000318898975 532065691 /nfs/dbraw/zinc/06/56/91/532065691.db2.gz JEGDHQBARPTOFI-JTQLQIEISA-N 1 0 393.303 1.887 20 0 GDADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000285298321 532063424 /nfs/dbraw/zinc/06/34/24/532063424.db2.gz RXAJOWZEGKMDJM-WBVHZDCISA-N 1 0 386.539 1.672 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000271938772 532066468 /nfs/dbraw/zinc/06/64/68/532066468.db2.gz REVDXFYRSQHAAM-CYBMUJFWSA-N 1 0 381.523 1.907 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N(CCC(F)(F)F)CC(F)(F)F)CC1=O ZINC000468514060 532068021 /nfs/dbraw/zinc/06/80/21/532068021.db2.gz GRDUAFCGOLMPFV-SNVBAGLBSA-N 1 0 377.329 1.740 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000423199988 532073826 /nfs/dbraw/zinc/07/38/26/532073826.db2.gz DCVWYGUKPPZTAY-SWLSCSKDSA-N 1 0 396.285 1.156 20 0 GDADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423103867 532072368 /nfs/dbraw/zinc/07/23/68/532072368.db2.gz LOMOXRKLEIBNBI-NWDGAFQWSA-N 1 0 396.340 1.628 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423108701 532072828 /nfs/dbraw/zinc/07/28/28/532072828.db2.gz UFAVCFMKFLGQNN-OCCSQVGLSA-N 1 0 382.302 1.993 20 0 GDADRO CCCN(CC[NH+]1CCCC1)C(=O)c1nn(C)cc1I ZINC000602335073 532074246 /nfs/dbraw/zinc/07/42/46/532074246.db2.gz UJWSYLAEWQJUNL-UHFFFAOYSA-N 1 0 390.269 1.973 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCOc3cccc(Cl)c3Cl)C[C@H]12 ZINC000581240891 532077639 /nfs/dbraw/zinc/07/76/39/532077639.db2.gz IDEMMXUKZIERIN-GMXVVIOVSA-N 1 0 386.279 1.684 20 0 GDADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423637179 532077736 /nfs/dbraw/zinc/07/77/36/532077736.db2.gz GXBIOJAYTZQIEW-UHFFFAOYSA-N 1 0 382.302 1.647 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000423638700 532077813 /nfs/dbraw/zinc/07/78/13/532077813.db2.gz VEICYJRVDPZBLW-WDEREUQCSA-N 1 0 386.265 1.755 20 0 GDADRO C[S@@](=O)C1(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC[NH2+]CC1 ZINC000602504472 532078022 /nfs/dbraw/zinc/07/80/22/532078022.db2.gz QSVBVBMTTKIIGU-UOXLDJKESA-N 1 0 387.908 1.675 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[N@H+](CC)CCO)cc1Cl ZINC000469627060 532076656 /nfs/dbraw/zinc/07/66/56/532076656.db2.gz HBTFGUSLSAOZSD-UHFFFAOYSA-N 1 0 392.283 1.761 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)CSCC(=O)N2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000602542464 532080539 /nfs/dbraw/zinc/08/05/39/532080539.db2.gz XXQXUFSNWUQFMN-STQMWFEESA-N 1 0 381.464 1.718 20 0 GDADRO C[S@@](=O)C1(C(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)CC[NH2+]CC1 ZINC000602519460 532078861 /nfs/dbraw/zinc/07/88/61/532078861.db2.gz ZVBFHHGKNHYXSP-DLUDVSRJSA-N 1 0 383.945 1.783 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000581428065 532079184 /nfs/dbraw/zinc/07/91/84/532079184.db2.gz CUPJYEGSRGWDSY-UHFFFAOYSA-N 1 0 381.274 1.663 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000423728970 532079236 /nfs/dbraw/zinc/07/92/36/532079236.db2.gz WLTGFRUKSXMEDH-YMTOWFKASA-N 1 0 392.258 1.838 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000423705578 532079660 /nfs/dbraw/zinc/07/96/60/532079660.db2.gz OVPXBNSSBFNARC-IUODEOHRSA-N 1 0 397.317 1.658 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423730110 532079926 /nfs/dbraw/zinc/07/99/26/532079926.db2.gz VXELEDIWLZIVGN-UHFFFAOYSA-N 1 0 394.313 1.805 20 0 GDADRO C[C@]12C[NH+](Cc3ccc(I)cc3)C[C@]1(C)C(=O)NC2=O ZINC000602723335 532080774 /nfs/dbraw/zinc/08/07/74/532080774.db2.gz GMWVVGHSFQOABG-HUUCEWRRSA-N 1 0 384.217 1.776 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423816373 532080892 /nfs/dbraw/zinc/08/08/92/532080892.db2.gz XRDZIQZJKICSQM-HNNXBMFYSA-N 1 0 388.295 1.964 20 0 GDADRO [NH3+]CCCCn1cc(C(=O)N2CCOc3ccc(Br)cc3C2)nn1 ZINC000423918988 532080983 /nfs/dbraw/zinc/08/09/83/532080983.db2.gz SUFRVICSNWBOMF-UHFFFAOYSA-N 1 0 394.273 1.814 20 0 GDADRO O=S1(=O)C[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)Oc2ccccc21 ZINC000581429094 532081442 /nfs/dbraw/zinc/08/14/42/532081442.db2.gz UTHIVNKRLBBUCU-ZDUSSCGKSA-N 1 0 378.416 1.838 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)Cc1cc(Br)c2c(c1)OCCO2 ZINC000470020062 532082232 /nfs/dbraw/zinc/08/22/32/532082232.db2.gz XACGAYPDAAIFIB-UHFFFAOYSA-N 1 0 384.274 1.084 20 0 GDADRO C[C@](CO)([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(Br)cc1 ZINC000285435026 532083811 /nfs/dbraw/zinc/08/38/11/532083811.db2.gz KWUQBJIOIUVQQK-DOTOQJQBSA-N 1 0 388.302 1.803 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470221487 532083822 /nfs/dbraw/zinc/08/38/22/532083822.db2.gz YLYLHQIMRHIYOX-DZGCQCFKSA-N 1 0 385.555 1.605 20 0 GDADRO [NH3+]C1(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CCC1 ZINC000581486150 532084050 /nfs/dbraw/zinc/08/40/50/532084050.db2.gz YDAYSXMBAICSSU-UHFFFAOYSA-N 1 0 392.308 1.708 20 0 GDADRO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581469389 532084206 /nfs/dbraw/zinc/08/42/06/532084206.db2.gz RTFMFSRGFTXUDP-YGRLFVJLSA-N 1 0 384.249 1.528 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000424215300 532085352 /nfs/dbraw/zinc/08/53/52/532085352.db2.gz FOXZGVWMDKMDTJ-OWYVNGRQSA-N 1 0 394.269 1.820 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)C[C@H]2C(C)(C)C2(F)F)CC1 ZINC000603270678 532085980 /nfs/dbraw/zinc/08/59/80/532085980.db2.gz FUGIDMNLGIXCMO-ZDUSSCGKSA-N 1 0 382.473 1.472 20 0 GDADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000327854194 532086473 /nfs/dbraw/zinc/08/64/73/532086473.db2.gz SEHZXWQJGUTUQD-LBPRGKRZSA-N 1 0 379.404 1.253 20 0 GDADRO C[NH2+]CCCNC(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000424482665 532096809 /nfs/dbraw/zinc/09/68/09/532096809.db2.gz UYFLWOLNYNLERK-CABCVRRESA-N 1 0 398.301 1.957 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000285591349 532097186 /nfs/dbraw/zinc/09/71/86/532097186.db2.gz HVPGJTQCQSQHHC-DZGCQCFKSA-N 1 0 380.432 1.702 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424533128 532097720 /nfs/dbraw/zinc/09/77/20/532097720.db2.gz CBZGKMPTXBXRHQ-UHFFFAOYSA-N 1 0 395.301 1.887 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(-c2cccs2)n1 ZINC000329299590 532103023 /nfs/dbraw/zinc/10/30/23/532103023.db2.gz UYWPFQZHSPXCCA-PBHICJAKSA-N 1 0 381.523 1.975 20 0 GDADRO O=C(C[C@H]1COCC[NH2+]1)NCCCNC(=O)c1cccc(Br)c1 ZINC000285695839 532105895 /nfs/dbraw/zinc/10/58/95/532105895.db2.gz PEVSHZDGOFCOJB-AWEZNQCLSA-N 1 0 384.274 1.064 20 0 GDADRO CC[C@@H](C(=O)NC[C@@H](Oc1ccc(Br)cc1)C(=O)OC)[NH+](C)C ZINC000285705578 532106672 /nfs/dbraw/zinc/10/66/72/532106672.db2.gz CIHULZIVUOFXEF-UONOGXRCSA-N 1 0 387.274 1.826 20 0 GDADRO C[N@H+](CCNS(=O)(=O)c1cc(Br)cc2c1OCC2)C1CC1 ZINC000329778995 532109251 /nfs/dbraw/zinc/10/92/51/532109251.db2.gz LNYGLWGLRWJYTC-UHFFFAOYSA-N 1 0 375.288 1.757 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272676176 532110099 /nfs/dbraw/zinc/11/00/99/532110099.db2.gz UQCSSLMCNXDNLV-XEZPLFJOSA-N 1 0 385.917 1.559 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000374083689 532110732 /nfs/dbraw/zinc/11/07/32/532110732.db2.gz MXBPTRUXTCGNEG-BXKDBHETSA-N 1 0 393.278 1.969 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)[nH]1 ZINC000272756462 532113295 /nfs/dbraw/zinc/11/32/95/532113295.db2.gz OYDHRKDJNQCXFV-UHFFFAOYSA-N 1 0 383.392 1.453 20 0 GDADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4c(c(Br)c3)OCO4)[C@H]2C1 ZINC000285792385 532113579 /nfs/dbraw/zinc/11/35/79/532113579.db2.gz NPUNXSDEDHKIRD-QWHCGFSZSA-N 1 0 383.242 1.723 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1Cl ZINC000374516293 532125074 /nfs/dbraw/zinc/12/50/74/532125074.db2.gz ZNNTUEXWKWYVLI-UHFFFAOYSA-N 1 0 385.917 1.806 20 0 GDADRO Cn1cc(Br)cc1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374522394 532126175 /nfs/dbraw/zinc/12/61/75/532126175.db2.gz OZOPCCLKCFSUCP-UHFFFAOYSA-N 1 0 386.290 1.087 20 0 GDADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000330557588 532127763 /nfs/dbraw/zinc/12/77/63/532127763.db2.gz GELRPPXZUAYUFX-UHFFFAOYSA-N 1 0 389.543 1.077 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)C[C@H]21 ZINC000374620581 532130545 /nfs/dbraw/zinc/13/05/45/532130545.db2.gz GSBGEKYWPQYBCY-BFHYXJOUSA-N 1 0 383.539 1.732 20 0 GDADRO COc1cc2[nH+]ccc(N3CC[C@@H](S(N)(=O)=O)C3)c2cc1Br ZINC000425225111 532130910 /nfs/dbraw/zinc/13/09/10/532130910.db2.gz KNBZOMALVOMNTK-SECBINFHSA-N 1 0 386.271 1.873 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000425401159 532137814 /nfs/dbraw/zinc/13/78/14/532137814.db2.gz GOEWZRXEBIYJTD-OAHLLOKOSA-N 1 0 387.571 1.543 20 0 GDADRO Cn1ncc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1Br ZINC000273263251 532142340 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GDADRO Cc1cc(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)c(C)cc1Br ZINC000332200095 532170340 /nfs/dbraw/zinc/17/03/40/532170340.db2.gz BSSNKALBVSCXBM-GFCCVEGCSA-N 1 0 377.304 1.804 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)sc1S(N)(=O)=O ZINC000286539174 532158289 /nfs/dbraw/zinc/15/82/89/532158289.db2.gz WLJFSQCALARDOE-UWVGGRQHSA-N 1 0 377.919 1.524 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(OCCN2CCOC[C@@H]2CC(F)F)cc1 ZINC000286565847 532159948 /nfs/dbraw/zinc/15/99/48/532159948.db2.gz UELNCZZCUJPBGE-ZDUSSCGKSA-N 1 0 378.441 1.672 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426005042 532160160 /nfs/dbraw/zinc/16/01/60/532160160.db2.gz AZXGLNOUKKDDDH-UHFFFAOYSA-N 1 0 376.567 1.562 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@H]1[NH+](C)C ZINC000273957258 532178041 /nfs/dbraw/zinc/17/80/41/532178041.db2.gz YYHHWPXQNTZWSX-NEPJUHHUSA-N 1 0 389.319 1.657 20 0 GDADRO CC[N@H+](CCNC(=O)c1cccc(CS(N)(=O)=O)c1)CCC(F)(F)F ZINC000427257324 532179424 /nfs/dbraw/zinc/17/94/24/532179424.db2.gz OLEIGDDEWUABKJ-UHFFFAOYSA-N 1 0 381.420 1.479 20 0 GDADRO CS[C@@H]1CN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000332344203 532181257 /nfs/dbraw/zinc/18/12/57/532181257.db2.gz FUMKPNOZDCHCKH-SDDRHHMPSA-N 1 0 382.452 1.275 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)c2c(F)cccc2I)CCCO1 ZINC000332215849 532171500 /nfs/dbraw/zinc/17/15/00/532171500.db2.gz ILEDRAAIZFHDPQ-SECBINFHSA-N 1 0 378.185 1.620 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2ccccc2N(C)S(C)(=O)=O)C[C@@H]1[NH+](C)C ZINC000273821438 532172903 /nfs/dbraw/zinc/17/29/03/532172903.db2.gz KFUXDSINPYZBCR-LSDHHAIUSA-N 1 0 386.543 1.592 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000286766525 532173849 /nfs/dbraw/zinc/17/38/49/532173849.db2.gz XYLDKVGEPZAPTK-OAHLLOKOSA-N 1 0 388.295 1.789 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000287034646 532191435 /nfs/dbraw/zinc/19/14/35/532191435.db2.gz VSZGCFHGZXCTGT-CQSZACIVSA-N 1 0 389.543 1.090 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000332522243 532192581 /nfs/dbraw/zinc/19/25/81/532192581.db2.gz ZPNQVMHDUVEYIZ-WQGACYEGSA-N 1 0 394.313 1.837 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000332521692 532192683 /nfs/dbraw/zinc/19/26/83/532192683.db2.gz KTFJURIBUHAXQF-CYBMUJFWSA-N 1 0 386.905 1.108 20 0 GDADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@]2(COC)CCC[NH2+]2)c1 ZINC000427959019 532195537 /nfs/dbraw/zinc/19/55/37/532195537.db2.gz KTZNWTSNGJDFQJ-MRXNPFEDSA-N 1 0 390.889 1.564 20 0 GDADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332572231 532195992 /nfs/dbraw/zinc/19/59/92/532195992.db2.gz WXIILWIOYBCAKA-BDAKNGLRSA-N 1 0 388.212 1.734 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000332465455 532187937 /nfs/dbraw/zinc/18/79/37/532187937.db2.gz IUGGLPTURBKNQG-MEBBXXQBSA-N 1 0 398.276 1.587 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375962900 532190163 /nfs/dbraw/zinc/19/01/63/532190163.db2.gz HYTOMEIYLHJATQ-IUODEOHRSA-N 1 0 379.507 1.418 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000332728787 532208594 /nfs/dbraw/zinc/20/85/94/532208594.db2.gz ZCSUQQKIYJOGLC-DZGCQCFKSA-N 1 0 380.286 1.715 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428539147 532209890 /nfs/dbraw/zinc/20/98/90/532209890.db2.gz YUKGXZWXXWDXIE-HOCLYGCPSA-N 1 0 384.318 1.994 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)Nc1ccncc1I ZINC000274434446 532210490 /nfs/dbraw/zinc/21/04/90/532210490.db2.gz QUMKWMXPPZPAPL-UHFFFAOYSA-N 1 0 378.214 1.122 20 0 GDADRO O=C(CN1CC[C@H](C(=O)N2CCCC2)C1)Nc1ccc(Br)cn1 ZINC000287426976 532215427 /nfs/dbraw/zinc/21/54/27/532215427.db2.gz PGTWTWPSMFCHMN-LBPRGKRZSA-N 1 0 381.274 1.727 20 0 GDADRO C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428767592 532216542 /nfs/dbraw/zinc/21/65/42/532216542.db2.gz RWFQIEXXASTKCA-NEPJUHHUSA-N 1 0 397.324 1.699 20 0 GDADRO CC(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000274567918 532218796 /nfs/dbraw/zinc/21/87/96/532218796.db2.gz BOAOKYAPDRFDFN-AWEZNQCLSA-N 1 0 391.921 1.525 20 0 GDADRO CC[C@H](C)[N@H+](CCO)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000287506168 532219238 /nfs/dbraw/zinc/21/92/38/532219238.db2.gz UHHMWNSNAADSLO-LBPRGKRZSA-N 1 0 386.290 1.597 20 0 GDADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376776751 532228944 /nfs/dbraw/zinc/22/89/44/532228944.db2.gz JABROCHQRVNTIK-ZDUSSCGKSA-N 1 0 390.912 1.135 20 0 GDADRO O=C(Cc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333304764 532228969 /nfs/dbraw/zinc/22/89/69/532228969.db2.gz CNLRJRKVUASZRU-INIZCTEOSA-N 1 0 394.313 1.805 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CCO1 ZINC000274736493 532229389 /nfs/dbraw/zinc/22/93/89/532229389.db2.gz DNSNALANGSHSPG-GJZGRUSLSA-N 1 0 396.285 1.240 20 0 GDADRO C[C@@H]([NH3+])c1ccc(CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1 ZINC000429508534 532230017 /nfs/dbraw/zinc/23/00/17/532230017.db2.gz CGIXWRZUUJIKTH-SECBINFHSA-N 1 0 381.230 1.048 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000429722446 532232429 /nfs/dbraw/zinc/23/24/29/532232429.db2.gz YUBQALZLAUWKIZ-OLZOCXBDSA-N 1 0 389.905 1.737 20 0 GDADRO CCCCc1nnc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000429713745 532233157 /nfs/dbraw/zinc/23/31/57/532233157.db2.gz DYNRHZTVLKMIKB-VXGBXAGGSA-N 1 0 389.547 1.269 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000274790207 532233830 /nfs/dbraw/zinc/23/38/30/532233830.db2.gz MWLXHACIGPZJJM-YYRQZUAOSA-N 1 0 383.242 1.420 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2(OC)CC[NH2+]CC2)s1 ZINC000429819122 532234437 /nfs/dbraw/zinc/23/44/37/532234437.db2.gz JTGBBPVDYZCGSV-UHFFFAOYSA-N 1 0 389.543 1.163 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000274820008 532235429 /nfs/dbraw/zinc/23/54/29/532235429.db2.gz WGNKINUTIHYEJQ-MRXNPFEDSA-N 1 0 394.921 1.346 20 0 GDADRO C[C@@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCC[NH2+]C1 ZINC000428998548 532221287 /nfs/dbraw/zinc/22/12/87/532221287.db2.gz RNYYBNVXKSAMNO-MNOVXSKESA-N 1 0 394.269 1.549 20 0 GDADRO OC[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(Br)c(F)c1 ZINC000429025470 532221989 /nfs/dbraw/zinc/22/19/89/532221989.db2.gz BFVOIOKVBVQTLG-LRDDRELGSA-N 1 0 392.265 1.768 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)C1 ZINC000429084971 532222957 /nfs/dbraw/zinc/22/29/57/532222957.db2.gz PGLBXVFYZKASER-GJZGRUSLSA-N 1 0 395.301 1.683 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000429142508 532223868 /nfs/dbraw/zinc/22/38/68/532223868.db2.gz NJWDEWOOFODTLB-LLVKDONJSA-N 1 0 377.557 1.199 20 0 GDADRO C[C@H]1CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC[C@H]1[NH3+] ZINC000429130286 532223954 /nfs/dbraw/zinc/22/39/54/532223954.db2.gz GWIIWFUJFUWAHZ-IINYFYTJSA-N 1 0 394.269 1.631 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CC[C@H]1[NH3+] ZINC000429137666 532224057 /nfs/dbraw/zinc/22/40/57/532224057.db2.gz BUTIHPIDUVVOFT-GZMMTYOYSA-N 1 0 393.278 1.801 20 0 GDADRO C[C@H]1CN(C(=O)c2n[nH]c3ccc(I)cc32)CC[C@H]1[NH3+] ZINC000429188367 532224911 /nfs/dbraw/zinc/22/49/11/532224911.db2.gz YTCWNIUTXRKMRE-GZMMTYOYSA-N 1 0 384.221 1.977 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000274699036 532225859 /nfs/dbraw/zinc/22/58/59/532225859.db2.gz XMEFMPRYLAHDTJ-AWEZNQCLSA-N 1 0 386.290 1.886 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cc[nH]c(=O)c3Br)C2)CC1 ZINC000377062176 532240656 /nfs/dbraw/zinc/24/06/56/532240656.db2.gz PIDRKZPOZNWYRT-ZDUSSCGKSA-N 1 0 397.317 1.377 20 0 GDADRO C[C@@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cn1 ZINC000333591014 532241212 /nfs/dbraw/zinc/24/12/12/532241212.db2.gz OMPWTDDEFGJNNH-TZMCWYRMSA-N 1 0 382.306 1.594 20 0 GDADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000430126503 532242006 /nfs/dbraw/zinc/24/20/06/532242006.db2.gz PXBUHWXHYGTDJB-GDBMZVCRSA-N 1 0 399.329 1.685 20 0 GDADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(Cl)cn1 ZINC000274916504 532242190 /nfs/dbraw/zinc/24/21/90/532242190.db2.gz OIFRBNALDORJAY-LBPRGKRZSA-N 1 0 383.905 1.972 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000333640579 532242699 /nfs/dbraw/zinc/24/26/99/532242699.db2.gz ICOJGDVVPCFUAT-DFBGVHRSSA-N 1 0 395.301 1.630 20 0 GDADRO CC(C)C[NH+]1CCN(C(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000333645607 532243071 /nfs/dbraw/zinc/24/30/71/532243071.db2.gz JPGBBLMINDLOEJ-UHFFFAOYSA-N 1 0 381.278 2.297 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Br ZINC000333676000 532243830 /nfs/dbraw/zinc/24/38/30/532243830.db2.gz NXUFOSVTDDBUKR-KOLCDFICSA-N 1 0 391.287 1.449 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000430174444 532244782 /nfs/dbraw/zinc/24/47/82/532244782.db2.gz YYIIAOKMYOXPPN-GJZGRUSLSA-N 1 0 399.329 1.685 20 0 GDADRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000333689633 532245214 /nfs/dbraw/zinc/24/52/14/532245214.db2.gz BOBFYCCXVBVFOV-HUUCEWRRSA-N 1 0 385.555 1.844 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430274326 532245499 /nfs/dbraw/zinc/24/54/99/532245499.db2.gz DEZDQXHRIYQKLB-CYBMUJFWSA-N 1 0 384.274 1.581 20 0 GDADRO C[C@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC(=O)N1 ZINC000333705968 532245689 /nfs/dbraw/zinc/24/56/89/532245689.db2.gz SCDHJKFYCFXIOD-JTQLQIEISA-N 1 0 398.261 1.033 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000333732590 532247376 /nfs/dbraw/zinc/24/73/76/532247376.db2.gz WKEBSLJTLNATJG-NSHDSACASA-N 1 0 392.934 1.169 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCn3cc(Br)cn3)CC2)C1 ZINC000377218038 532247823 /nfs/dbraw/zinc/24/78/23/532247823.db2.gz QTAUZOPTNVLIOB-OAHLLOKOSA-N 1 0 399.337 1.067 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000430383485 532248799 /nfs/dbraw/zinc/24/87/99/532248799.db2.gz CYLJIVCNTLZCCW-MRXNPFEDSA-N 1 0 388.555 1.763 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC[NH2+]1 ZINC000333798304 532250842 /nfs/dbraw/zinc/25/08/42/532250842.db2.gz NQJHVVHDBQPJEW-MGPQQGTHSA-N 1 0 386.543 1.341 20 0 GDADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC(OCCC[NH3+])CC1 ZINC000430588904 532252303 /nfs/dbraw/zinc/25/23/03/532252303.db2.gz BBHMWOPMMDZQKE-HNNXBMFYSA-N 1 0 388.281 1.944 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000274836891 532236422 /nfs/dbraw/zinc/23/64/22/532236422.db2.gz VWOCMVVXSMLVHK-GFCCVEGCSA-N 1 0 389.905 1.170 20 0 GDADRO O=C(C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)NCc1ccc(Cl)cc1 ZINC000275150471 532270501 /nfs/dbraw/zinc/27/05/01/532270501.db2.gz XRINQQPMTHQUGQ-LBPRGKRZSA-N 1 0 377.794 1.957 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)C1 ZINC000377750761 532271848 /nfs/dbraw/zinc/27/18/48/532271848.db2.gz WKTSHOAQSUMBSY-AWEZNQCLSA-N 1 0 375.897 1.880 20 0 GDADRO C[C@H]1CN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[C@@H]1[NH3+] ZINC000430972033 532258071 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CC(C)(C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1)S(C)(=O)=O ZINC000819983708 607259452 /nfs/dbraw/zinc/25/94/52/607259452.db2.gz BZAFEUVVCYVNIP-UHFFFAOYSA-N 1 0 378.502 1.248 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1)C(C)(C)C ZINC000736759834 599184237 /nfs/dbraw/zinc/18/42/37/599184237.db2.gz XEXFBHUIFPMRJZ-AWEZNQCLSA-N 1 0 389.508 1.339 20 0 GDADRO Cc1c(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)cccc1-c1nn[nH]n1 ZINC000822053640 607272417 /nfs/dbraw/zinc/27/24/17/607272417.db2.gz PJYIOUBSXFQJGZ-UHFFFAOYSA-N 1 0 385.472 1.350 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)cccc1-c1nn[nH]n1 ZINC000822043662 607275782 /nfs/dbraw/zinc/27/57/82/607275782.db2.gz FPKSASRPTCKUHB-CVEARBPZSA-N 1 0 383.456 1.199 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cccc1-c1nn[nH]n1 ZINC000822043196 607273751 /nfs/dbraw/zinc/27/37/51/607273751.db2.gz CBRQHMNBUHYSPJ-UHFFFAOYSA-N 1 0 383.456 1.200 20 0 GDADRO O=C(CCCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822955355 607300795 /nfs/dbraw/zinc/30/07/95/607300795.db2.gz QYPUCASRZFFGQK-OAHLLOKOSA-N 1 0 397.483 1.576 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736237006 599270723 /nfs/dbraw/zinc/27/07/23/599270723.db2.gz NGEYBCGDASOYNC-GPMSIDNRSA-N 1 0 397.527 1.820 20 0 GDADRO O=C(CCN1CCN(c2cc[nH+]cc2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737843148 599279362 /nfs/dbraw/zinc/27/93/62/599279362.db2.gz IADYBUQGWQUFQQ-UHFFFAOYSA-N 1 0 384.469 1.474 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000735881223 599282368 /nfs/dbraw/zinc/28/23/68/599282368.db2.gz HLAIJYYETIHZPD-GFCCVEGCSA-N 1 0 389.435 1.181 20 0 GDADRO Cn1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1=O ZINC000821586397 599283881 /nfs/dbraw/zinc/28/38/81/599283881.db2.gz WCORCJTUOCYPKN-UHFFFAOYSA-N 1 0 396.455 1.161 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCCN(Cc2nnc3n2CCCC3)CC1 ZINC000823743328 607324581 /nfs/dbraw/zinc/32/45/81/607324581.db2.gz YDIPFSRTOBJCRP-UHFFFAOYSA-N 1 0 393.499 1.502 20 0 GDADRO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000821584450 607336105 /nfs/dbraw/zinc/33/61/05/607336105.db2.gz DUUPRVGVUNSEPE-UHFFFAOYSA-N 1 0 391.451 1.573 20 0 GDADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820697802 607337049 /nfs/dbraw/zinc/33/70/49/607337049.db2.gz MJZIJIBNWLLKIK-TXEJJXNPSA-N 1 0 389.435 1.323 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)C1CCCCC1 ZINC000821602475 607339332 /nfs/dbraw/zinc/33/93/32/607339332.db2.gz DNBWFZLVJIJXNM-UHFFFAOYSA-N 1 0 389.435 1.325 20 0 GDADRO C[C@@H]([N@H+](C)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C(C)(C)C ZINC000736095528 598232535 /nfs/dbraw/zinc/23/25/35/598232535.db2.gz GAZHDUOCGMKRCJ-BLVKFPJESA-N 1 0 385.472 1.958 20 0 GDADRO COc1ccccc1CC[N@H+](C)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737150322 598247807 /nfs/dbraw/zinc/24/78/07/598247807.db2.gz NVTOLATWMLDCBZ-KRWDZBQOSA-N 1 0 383.452 1.790 20 0 GDADRO CC(C)C(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735684959 598250611 /nfs/dbraw/zinc/25/06/11/598250611.db2.gz MNXABTBBEGSUSB-INIZCTEOSA-N 1 0 385.472 1.432 20 0 GDADRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738345968 598263010 /nfs/dbraw/zinc/26/30/10/598263010.db2.gz UAWAFQBNIABBNS-UHFFFAOYSA-N 1 0 399.480 1.336 20 0 GDADRO O[C@@H](COCc1ccco1)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738388333 598274033 /nfs/dbraw/zinc/27/40/33/598274033.db2.gz SFNCKWFZRPNNQI-OAHLLOKOSA-N 1 0 384.440 1.159 20 0 GDADRO CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735467768 598274295 /nfs/dbraw/zinc/27/42/95/598274295.db2.gz XBCRAMKQPFQCGU-UHFFFAOYSA-N 1 0 391.479 1.825 20 0 GDADRO COCC[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000737007622 598281047 /nfs/dbraw/zinc/28/10/47/598281047.db2.gz OMIZUWJMBQUYAP-UHFFFAOYSA-N 1 0 390.492 1.656 20 0 GDADRO C[C@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736236039 598284769 /nfs/dbraw/zinc/28/47/69/598284769.db2.gz FSAJCSWLWIOBQP-RBSFLKMASA-N 1 0 384.488 1.172 20 0 GDADRO CN1CCO[C@@H](C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736869221 598285753 /nfs/dbraw/zinc/28/57/53/598285753.db2.gz ZKAJMUDMZKAKPP-FQEVSTJZSA-N 1 0 394.479 1.866 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736001638 598293722 /nfs/dbraw/zinc/29/37/22/598293722.db2.gz NTLYOPXJHMPIHK-INIZCTEOSA-N 1 0 398.515 1.573 20 0 GDADRO CCOCC[N@@H+]1CCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@@H]1CC ZINC000736619955 598345080 /nfs/dbraw/zinc/34/50/80/598345080.db2.gz SJTCLULXMCDAHY-KRWDZBQOSA-N 1 0 387.488 1.238 20 0 GDADRO Cc1ccc(N2CCC[C@H]([N@H+](C)CCOc3cccc(-c4nn[nH]n4)c3)C2)nn1 ZINC000737351616 598364275 /nfs/dbraw/zinc/36/42/75/598364275.db2.gz MFYHNRCCVUYVRJ-KRWDZBQOSA-N 1 0 394.483 1.945 20 0 GDADRO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736406365 598365570 /nfs/dbraw/zinc/36/55/70/598365570.db2.gz KGQXZZADPBAOND-QGZVFWFLSA-N 1 0 384.463 1.799 20 0 GDADRO CC[C@H]1CN(CCC(=O)Nc2sccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000736409742 598366456 /nfs/dbraw/zinc/36/64/56/598366456.db2.gz MYTJUHYHMAEPGC-ZDUSSCGKSA-N 1 0 393.517 1.299 20 0 GDADRO CC[C@H]1CN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC[N@@H+]1CCOC ZINC000736413070 598366637 /nfs/dbraw/zinc/36/66/37/598366637.db2.gz WMJZEQWBCUFTKM-FUHWJXTLSA-N 1 0 399.499 1.015 20 0 GDADRO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000737473540 598368319 /nfs/dbraw/zinc/36/83/19/598368319.db2.gz JXFRTFHRGJQKRK-OAHLLOKOSA-N 1 0 395.471 1.426 20 0 GDADRO O=C1[C@H]([NH+]2CCC(Cn3cccn3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738288635 598368986 /nfs/dbraw/zinc/36/89/86/598368986.db2.gz DAMLVEQUWDFQOP-GOSISDBHSA-N 1 0 392.467 1.581 20 0 GDADRO O=C(N[C@@H]1CCCOC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738027230 598374892 /nfs/dbraw/zinc/37/48/92/598374892.db2.gz XOFRPURLAOZLQI-QGZVFWFLSA-N 1 0 385.472 1.263 20 0 GDADRO Oc1ccc2c(c1)CC[N@H+](C[C@H](O)COc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000738401954 598374944 /nfs/dbraw/zinc/37/49/44/598374944.db2.gz YBOKMUYVZPSVGC-SFHVURJKSA-N 1 0 381.436 1.413 20 0 GDADRO C[N@H+](CCCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736801199 598399713 /nfs/dbraw/zinc/39/97/13/598399713.db2.gz SBZWEPHVUGWMIZ-UHFFFAOYSA-N 1 0 399.499 1.367 20 0 GDADRO CCOc1cccc(N2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000736655393 598406378 /nfs/dbraw/zinc/40/63/78/598406378.db2.gz RIWPTFYPGVJEJN-UHFFFAOYSA-N 1 0 395.467 1.861 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)CC1 ZINC000736980294 598412714 /nfs/dbraw/zinc/41/27/14/598412714.db2.gz CDAHFLCGUCGROB-UHFFFAOYSA-N 1 0 389.460 1.498 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000737024718 598464903 /nfs/dbraw/zinc/46/49/03/598464903.db2.gz NQMGKIPBHAIBPR-OAHLLOKOSA-N 1 0 386.456 1.341 20 0 GDADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736253866 598469497 /nfs/dbraw/zinc/46/94/97/598469497.db2.gz WMRBBLHHXLNSIU-TXEJJXNPSA-N 1 0 382.465 1.547 20 0 GDADRO CN(CC[N@H+](C)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736799420 598469640 /nfs/dbraw/zinc/46/96/40/598469640.db2.gz SULJMPQWZFEWHN-SFHVURJKSA-N 1 0 382.468 1.675 20 0 GDADRO FC(F)(F)c1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000737635899 598517382 /nfs/dbraw/zinc/51/73/82/598517382.db2.gz PIAWDCKTFHXJKE-NSHDSACASA-N 1 0 378.362 1.914 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(-n2cncn2)cc1 ZINC000736137832 598518363 /nfs/dbraw/zinc/51/83/63/598518363.db2.gz YNNHUVMXCJSEFP-CHWSQXEVSA-N 1 0 391.443 1.036 20 0 GDADRO CC(C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCC(C)CC1 ZINC000736277872 598521360 /nfs/dbraw/zinc/52/13/60/598521360.db2.gz NLNDIFWSKUQOJL-NVXWUHKLSA-N 1 0 387.536 1.451 20 0 GDADRO C[C@@H]1Cc2ccccc2N1CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736295896 598526019 /nfs/dbraw/zinc/52/60/19/598526019.db2.gz BGIBBJNWXJAOLG-KGLIPLIRSA-N 1 0 379.472 1.146 20 0 GDADRO COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737089540 598528232 /nfs/dbraw/zinc/52/82/32/598528232.db2.gz XMPJLPUDRPVWHC-ZFWWWQNUSA-N 1 0 382.472 1.724 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)C1CCCCC1 ZINC000736768295 598540319 /nfs/dbraw/zinc/54/03/19/598540319.db2.gz ZYVUAGNFJORONR-UHFFFAOYSA-N 1 0 392.529 1.893 20 0 GDADRO CO[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736964141 598554647 /nfs/dbraw/zinc/55/46/47/598554647.db2.gz ZUZVLXSSENDAAU-LLVKDONJSA-N 1 0 376.486 1.856 20 0 GDADRO O=C(c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738257111 598556997 /nfs/dbraw/zinc/55/69/97/598556997.db2.gz FSXIRNLXSARTIU-OAHLLOKOSA-N 1 0 394.435 1.959 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2nc3c(cc2-c2nn[nH]n2)CCC3)CC1 ZINC000736745950 598580242 /nfs/dbraw/zinc/58/02/42/598580242.db2.gz DGVJAAGLTOOHEP-UHFFFAOYSA-N 1 0 384.488 1.105 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc2nccn2c1 ZINC000736766606 598589245 /nfs/dbraw/zinc/58/92/45/598589245.db2.gz DSVGXXZQCHQKOF-UHFFFAOYSA-N 1 0 390.451 1.718 20 0 GDADRO C[NH+]1CCC(CCNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736849224 598596269 /nfs/dbraw/zinc/59/62/69/598596269.db2.gz QPLJRPPNKVZMDD-GOSISDBHSA-N 1 0 383.500 1.684 20 0 GDADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000737169375 598682532 /nfs/dbraw/zinc/68/25/32/598682532.db2.gz VJBGVTZWJMRKGX-AWEZNQCLSA-N 1 0 382.465 1.300 20 0 GDADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736402182 598733659 /nfs/dbraw/zinc/73/36/59/598733659.db2.gz MASYSAYNQXHCLK-CQSZACIVSA-N 1 0 399.499 1.822 20 0 GDADRO COC[C@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736969198 598757608 /nfs/dbraw/zinc/75/76/08/598757608.db2.gz VUMVFVSKPTZUBP-HXUWFJFHSA-N 1 0 383.452 1.933 20 0 GDADRO CCCC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)CC(N)=O ZINC000736456882 598758275 /nfs/dbraw/zinc/75/82/75/598758275.db2.gz MAZNIRDUFHTRAC-UHFFFAOYSA-N 1 0 391.501 1.333 20 0 GDADRO COc1cc[nH+]c(N2CCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)CC2)c1 ZINC000737160103 598797487 /nfs/dbraw/zinc/79/74/87/598797487.db2.gz RVRGSKJXAPRXSB-UHFFFAOYSA-N 1 0 378.440 1.481 20 0 GDADRO CC[NH+](CC)[C@@H](C(=O)NCCNc1ncccc1-c1nn[nH]n1)c1ccccc1 ZINC000736535543 598808828 /nfs/dbraw/zinc/80/88/28/598808828.db2.gz YIKJZGZZHHVDEZ-QGZVFWFLSA-N 1 0 394.483 1.873 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)C1 ZINC000736847159 598814327 /nfs/dbraw/zinc/81/43/27/598814327.db2.gz FKVBKMDWXQWYCF-ZDUSSCGKSA-N 1 0 382.424 1.720 20 0 GDADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000820722097 599301993 /nfs/dbraw/zinc/30/19/93/599301993.db2.gz FVFDSXHLUSXPHO-UHFFFAOYSA-N 1 0 398.920 1.920 20 0 GDADRO COCCOC[C@@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821692460 599329898 /nfs/dbraw/zinc/32/98/98/599329898.db2.gz YGSQYYWMSMVAFP-OAHLLOKOSA-N 1 0 398.471 1.376 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736352187 599344199 /nfs/dbraw/zinc/34/41/99/599344199.db2.gz XHJVQGVXLWVLAW-CQSZACIVSA-N 1 0 395.471 1.239 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000821242256 599356442 /nfs/dbraw/zinc/35/64/42/599356442.db2.gz RAAACVMEPDFDCI-UHFFFAOYSA-N 1 0 398.920 1.920 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821087725 599373696 /nfs/dbraw/zinc/37/36/96/599373696.db2.gz FLLPDFCQWATFBJ-LBPRGKRZSA-N 1 0 398.920 1.873 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC(=O)NCc1ccccc1 ZINC000820410081 599391273 /nfs/dbraw/zinc/39/12/73/599391273.db2.gz CTOAGDYWPWSBNX-KBPBESRZSA-N 1 0 393.451 1.932 20 0 GDADRO C[C@H](O)C[NH+]1CCC(CN(C)c2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000736146622 599428146 /nfs/dbraw/zinc/42/81/46/599428146.db2.gz JDAIQHCVBFTSAQ-AWEZNQCLSA-N 1 0 381.484 1.944 20 0 GDADRO CC[NH+](CC)CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000821190014 599479891 /nfs/dbraw/zinc/47/98/91/599479891.db2.gz XLSCYHMSKUMEEJ-UHFFFAOYSA-N 1 0 393.517 1.072 20 0 GDADRO CCN1CCO[C@H](C[NH+]2CCN(c3cc(Cl)ccc3-c3nn[nH]n3)CC2)C1 ZINC000821276786 599533562 /nfs/dbraw/zinc/53/35/62/599533562.db2.gz NKMLCXYHWIFBOZ-HNNXBMFYSA-N 1 0 391.907 1.363 20 0 GDADRO Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)c(-c2nn[nH]n2)c1C ZINC000737523577 599535587 /nfs/dbraw/zinc/53/55/87/599535587.db2.gz VLTLEVCEBOAHLC-UHFFFAOYSA-N 1 0 393.499 1.532 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000735564427 599585809 /nfs/dbraw/zinc/58/58/09/599585809.db2.gz WHSBQGKJEVOXMC-YJBOKZPZSA-N 1 0 399.499 1.380 20 0 GDADRO O=C1[C@H](N2CCC[N@@H+](C3CCCC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291172 599593326 /nfs/dbraw/zinc/59/33/26/599593326.db2.gz TXEWIRMBHXVVAN-LJQANCHMSA-N 1 0 395.511 1.922 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1-c1nn[nH]n1 ZINC000822312694 599597487 /nfs/dbraw/zinc/59/74/87/599597487.db2.gz IMPNFIFPOGDVHF-MRXNPFEDSA-N 1 0 393.451 1.533 20 0 GDADRO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000738040562 599605141 /nfs/dbraw/zinc/60/51/41/599605141.db2.gz VGAFHELWWNWFIJ-UHFFFAOYSA-N 1 0 397.483 1.073 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[nH]n2)C1 ZINC000821180275 599616066 /nfs/dbraw/zinc/61/60/66/599616066.db2.gz BBNONEYEKIYOPQ-AWEZNQCLSA-N 1 0 385.472 1.304 20 0 GDADRO C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820313697 599618743 /nfs/dbraw/zinc/61/87/43/599618743.db2.gz FQIRGADAMJOART-ZDUSSCGKSA-N 1 0 393.451 1.744 20 0 GDADRO CN1CC[N@H+](C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)[C@H](c2ccccc2)C1 ZINC000821626822 607386725 /nfs/dbraw/zinc/38/67/25/607386725.db2.gz ALEFHLSCEBRXOS-PBHICJAKSA-N 1 0 379.472 1.094 20 0 GDADRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC[N@@H+]1C ZINC000820657488 599675998 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COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000821761841 606162165 /nfs/dbraw/zinc/16/21/65/606162165.db2.gz FTUMRHQQMKSZOH-UHFFFAOYSA-N 1 0 387.444 1.204 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1)Cc1ccccc1 ZINC000821181813 606166905 /nfs/dbraw/zinc/16/69/05/606166905.db2.gz PRSQOOXHWSBLNY-OAHLLOKOSA-N 1 0 397.487 1.675 20 0 GDADRO COC1CC[NH+](CCNC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821679750 606189969 /nfs/dbraw/zinc/18/99/69/606189969.db2.gz LGOOWDMWJYMUMR-UHFFFAOYSA-N 1 0 390.513 1.327 20 0 GDADRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820077072 606201459 /nfs/dbraw/zinc/20/14/59/606201459.db2.gz ZSOYYBPAWHEEDK-UHFFFAOYSA-N 1 0 392.529 1.903 20 0 GDADRO Clc1cccc(N2CC[C@H]([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)c1 ZINC000822586060 606204298 /nfs/dbraw/zinc/20/42/98/606204298.db2.gz ROMQBXKUFAHYSC-JSGCOSHPSA-N 1 0 399.890 1.627 20 0 GDADRO OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823714614 606222237 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C[C@@H](CN1CCCC1=O)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824412590 609336844 /nfs/dbraw/zinc/33/68/44/609336844.db2.gz BJIXSJIAGZMGRM-ZDUSSCGKSA-N 1 0 380.456 1.368 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578071 609347485 /nfs/dbraw/zinc/34/74/85/609347485.db2.gz QBJRHXYSCJFSDD-RSNWOKGLSA-N 1 0 387.419 1.377 20 0 GDADRO CC(C)Cn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000824280150 609375158 /nfs/dbraw/zinc/37/51/58/609375158.db2.gz DVGDPVWTEWXUAX-UHFFFAOYSA-N 1 0 396.499 1.923 20 0 GDADRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826393379 609413330 /nfs/dbraw/zinc/41/33/30/609413330.db2.gz POVSQOUJSGZYSA-QGZVFWFLSA-N 1 0 391.435 1.251 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000530805746 649981170 /nfs/dbraw/zinc/98/11/70/649981170.db2.gz BSNJSUOGSCNFID-HNNXBMFYSA-N 1 0 386.539 1.443 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)ccc1Br ZINC000530845324 649981989 /nfs/dbraw/zinc/98/19/89/649981989.db2.gz GZVBQSHPJZPZDS-NSHDSACASA-N 1 0 384.274 1.997 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259535 609575017 /nfs/dbraw/zinc/57/50/17/609575017.db2.gz VOSLWOGHNAIZNX-FZKQIMNGSA-N 1 0 394.483 1.819 20 0 GDADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000826022306 609625629 /nfs/dbraw/zinc/62/56/29/609625629.db2.gz JFNDBOOIAAPFLT-UHFFFAOYSA-N 1 0 391.863 1.307 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)N2CCCN(Cc3cscn3)CC2)CCSC1 ZINC000530895179 649983678 /nfs/dbraw/zinc/98/36/78/649983678.db2.gz OCDPGVHURNKSMV-QGZVFWFLSA-N 1 0 383.587 1.798 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000532466752 650024878 /nfs/dbraw/zinc/02/48/78/650024878.db2.gz SHOXPJDUEPPJOS-CQSZACIVSA-N 1 0 382.302 1.854 20 0 GDADRO COC(=O)CNC(=O)CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000533026675 650040308 /nfs/dbraw/zinc/04/03/08/650040308.db2.gz QEWQKTFDHHXKAM-UHFFFAOYSA-N 1 0 399.285 1.724 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000533098865 650042187 /nfs/dbraw/zinc/04/21/87/650042187.db2.gz UPCZJUAJCFADRE-ZIAGYGMSSA-N 1 0 380.432 1.622 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CCCOc2ccc(Cl)cc2)[C@@H](N2CCOCC2)C1 ZINC000533382731 650050272 /nfs/dbraw/zinc/05/02/72/650050272.db2.gz CAHHWXTXSOZTMD-IRXDYDNUSA-N 1 0 388.917 1.196 20 0 GDADRO CSCC[C@@H](C)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000533393011 650051188 /nfs/dbraw/zinc/05/11/88/650051188.db2.gz BTMRUTDPDDKIJT-CHWSQXEVSA-N 1 0 385.555 1.685 20 0 GDADRO CC[N@H+](CCC1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1)CC(C)C ZINC000536919332 650283620 /nfs/dbraw/zinc/28/36/20/650283620.db2.gz DYYWREPPTOFUTK-UHFFFAOYSA-N 1 0 375.579 1.875 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000538064114 650304695 /nfs/dbraw/zinc/30/46/95/650304695.db2.gz MXLHDOPNGGQYPA-HOTGVXAUSA-N 1 0 375.535 1.096 20 0 GDADRO CCc1ncc(C[NH2+][C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)s1 ZINC000538402356 650309805 /nfs/dbraw/zinc/30/98/05/650309805.db2.gz ZMOUOBSNKMLDEA-LLVKDONJSA-N 1 0 382.511 1.730 20 0 GDADRO COc1ccc(CC[NH2+]C2CCN(CC(F)F)CC2)cc1S(N)(=O)=O ZINC000539408744 650334136 /nfs/dbraw/zinc/33/41/36/650334136.db2.gz KYUQUSLFCOFOMZ-UHFFFAOYSA-N 1 0 377.457 1.204 20 0 GDADRO C[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O ZINC000540139281 650350412 /nfs/dbraw/zinc/35/04/12/650350412.db2.gz MZFNVTHEBWTSGJ-HUUCEWRRSA-N 1 0 388.555 1.945 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cc1Br ZINC000540563430 650363370 /nfs/dbraw/zinc/36/33/70/650363370.db2.gz IYTIIRXXKGWHRX-UHFFFAOYSA-N 1 0 382.258 1.774 20 0 GDADRO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000540602241 650365147 /nfs/dbraw/zinc/36/51/47/650365147.db2.gz HGTANUINWHNHQV-RYUDHWBXSA-N 1 0 378.416 1.734 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000541523358 650385811 /nfs/dbraw/zinc/38/58/11/650385811.db2.gz ABIWBHDYPIKLFA-GJZGRUSLSA-N 1 0 379.592 1.428 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000541770351 650390235 /nfs/dbraw/zinc/39/02/35/650390235.db2.gz WESRYLHONPZJCN-HNNXBMFYSA-N 1 0 388.555 1.500 20 0 GDADRO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc([S@@](C)=O)cc1 ZINC000542048239 650398378 /nfs/dbraw/zinc/39/83/78/650398378.db2.gz UTJDOXABDFCHOD-YEBMWUKDSA-N 1 0 382.507 1.801 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CC1 ZINC000542074972 650398578 /nfs/dbraw/zinc/39/85/78/650398578.db2.gz KSXAFMCLMFEOIP-ZDUSSCGKSA-N 1 0 382.258 1.850 20 0 GDADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000542134837 650399509 /nfs/dbraw/zinc/39/95/09/650399509.db2.gz AHJXCJDVJNYCOH-UHFFFAOYSA-N 1 0 377.457 1.756 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(S(N)(=O)=O)c1 ZINC000542133865 650399511 /nfs/dbraw/zinc/39/95/11/650399511.db2.gz FBUKQDXZVSNKLD-GXFFZTMASA-N 1 0 379.404 1.538 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(S(N)(=O)=O)c1 ZINC000542133866 650399534 /nfs/dbraw/zinc/39/95/34/650399534.db2.gz FBUKQDXZVSNKLD-MFKMUULPSA-N 1 0 379.404 1.538 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCCOC1 ZINC000542577689 650407668 /nfs/dbraw/zinc/40/76/68/650407668.db2.gz QOVTUGMJEBUDSH-QWRGUYRKSA-N 1 0 375.878 1.331 20 0 GDADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000542840452 650414037 /nfs/dbraw/zinc/41/40/37/650414037.db2.gz XKUMABOTZBGDDW-CYBMUJFWSA-N 1 0 385.917 1.426 20 0 GDADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)C ZINC000543454438 650422858 /nfs/dbraw/zinc/42/28/58/650422858.db2.gz HAFYFDNFQXGOKV-CQSZACIVSA-N 1 0 391.921 1.789 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000543837866 650430479 /nfs/dbraw/zinc/43/04/79/650430479.db2.gz AZAIKDBAAMBNEL-ZDUSSCGKSA-N 1 0 378.288 1.012 20 0 GDADRO O=C1CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c2ccccc2N1 ZINC000544380083 650439113 /nfs/dbraw/zinc/43/91/13/650439113.db2.gz URBJAVWTKSZKTI-OCCSQVGLSA-N 1 0 380.491 1.946 20 0 GDADRO C[C@@H]1CN(c2cc(Br)cnc2C(N)=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000545323480 650454124 /nfs/dbraw/zinc/45/41/24/650454124.db2.gz LLRZNOAAURUILT-TZMCWYRMSA-N 1 0 396.333 1.405 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000545867860 650463206 /nfs/dbraw/zinc/46/32/06/650463206.db2.gz HEZQLJBQLJJLNA-LBPRGKRZSA-N 1 0 383.695 1.447 20 0 GDADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000546568404 650478734 /nfs/dbraw/zinc/47/87/34/650478734.db2.gz RDYGSXQDOCENKV-ZUZCIYMTSA-N 1 0 375.238 1.538 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000546779624 650485908 /nfs/dbraw/zinc/48/59/08/650485908.db2.gz HDQUQUDRBVLABK-OAHLLOKOSA-N 1 0 375.535 1.218 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000547286177 650494123 /nfs/dbraw/zinc/49/41/23/650494123.db2.gz KWVCQUNNSXXFPY-CQSZACIVSA-N 1 0 379.766 1.480 20 0 GDADRO C[N@H+](CCC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C1CCCCC1 ZINC000548064098 650529662 /nfs/dbraw/zinc/52/96/62/650529662.db2.gz ULWBWCJGFKULAX-OAHLLOKOSA-N 1 0 388.555 1.654 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)C2)C1 ZINC000549903209 650584839 /nfs/dbraw/zinc/58/48/39/650584839.db2.gz GHNVEMYAMBWYLZ-KRWDZBQOSA-N 1 0 386.539 1.338 20 0 GDADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)C1 ZINC000916186876 660188581 /nfs/dbraw/zinc/18/85/81/660188581.db2.gz PILQMIKSBWHDGG-SNVBAGLBSA-N 1 0 377.293 1.829 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c1OC ZINC000551169598 650600485 /nfs/dbraw/zinc/60/04/85/650600485.db2.gz UEGCNPRVAYYLKU-NSHDSACASA-N 1 0 390.889 1.898 20 0 GDADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000551219190 650601692 /nfs/dbraw/zinc/60/16/92/650601692.db2.gz GCCPGPCBHLODGL-UHFFFAOYSA-N 1 0 383.901 1.863 20 0 GDADRO CC[C@@H](Cn1cncn1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551304303 650603880 /nfs/dbraw/zinc/60/38/80/650603880.db2.gz GMSBNAGSQDORFS-LBPRGKRZSA-N 1 0 399.236 1.890 20 0 GDADRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)CCC(F)(F)F)cn2)CC1 ZINC000551518482 650608746 /nfs/dbraw/zinc/60/87/46/650608746.db2.gz IQUHSEBVCMOIMA-UHFFFAOYSA-N 1 0 380.436 1.595 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)c1cccs1 ZINC000552012879 650617542 /nfs/dbraw/zinc/61/75/42/650617542.db2.gz JKYDFUOJYPKWFE-UONOGXRCSA-N 1 0 388.559 1.464 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000553059466 650637076 /nfs/dbraw/zinc/63/70/76/650637076.db2.gz MCNQIUHPQIAXGV-KFWWJZLASA-N 1 0 385.555 1.748 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)cnc2c1Cl ZINC000553560817 650650946 /nfs/dbraw/zinc/65/09/46/650650946.db2.gz WMOOIGXLODIUER-GXTWGEPZSA-N 1 0 383.905 1.938 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000553763965 650656315 /nfs/dbraw/zinc/65/63/15/650656315.db2.gz MRGLKIDLVGHGFF-IRXDYDNUSA-N 1 0 394.603 1.631 20 0 GDADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)C[C@@H](C)C1 ZINC000553784402 650657257 /nfs/dbraw/zinc/65/72/57/650657257.db2.gz OCIUCCNSFYMMFU-JBLDHEPKSA-N 1 0 391.946 1.851 20 0 GDADRO CCC[N@H+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000553802197 650658199 /nfs/dbraw/zinc/65/81/99/650658199.db2.gz ZLHKEZQFSZCEMD-UHFFFAOYSA-N 1 0 387.933 1.905 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000554375023 650674057 /nfs/dbraw/zinc/67/40/57/650674057.db2.gz FWXRVOXXBWWBOM-UKRRQHHQSA-N 1 0 389.543 1.012 20 0 GDADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000554812275 650681913 /nfs/dbraw/zinc/68/19/13/650681913.db2.gz SQUNWPQOGHWSRZ-MNOVXSKESA-N 1 0 390.889 1.859 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)NCC[NH+](C)C ZINC000556904176 650714405 /nfs/dbraw/zinc/71/44/05/650714405.db2.gz SGARXDHLXGSQLS-GHMZBOCLSA-N 1 0 376.284 1.943 20 0 GDADRO 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C[NH2+]C1CCN(S(=O)(=O)c2cc(C(=O)OC)oc2Br)CC1 ZINC000237099888 645082440 /nfs/dbraw/zinc/08/24/40/645082440.db2.gz HXLPKXBETKWTPO-UHFFFAOYSA-N 1 0 381.248 1.201 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]([NH3+])C2CC2)ccc1Br ZINC000237095883 645082464 /nfs/dbraw/zinc/08/24/64/645082464.db2.gz HMFXBDIDPAOQQC-GFCCVEGCSA-N 1 0 390.303 1.167 20 0 GDADRO C[NH2+]CCN(C)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000237354875 645085262 /nfs/dbraw/zinc/08/52/62/645085262.db2.gz NQJWAMXFARDBMM-UHFFFAOYSA-N 1 0 381.523 1.561 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000237425983 645086141 /nfs/dbraw/zinc/08/61/41/645086141.db2.gz PMQFIHZHPVDWIP-JTQLQIEISA-N 1 0 375.288 1.725 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC[NH2+]1 ZINC000237534461 645086152 /nfs/dbraw/zinc/08/61/52/645086152.db2.gz CYCKOTSYDDMBBI-ZDUSSCGKSA-N 1 0 385.917 1.949 20 0 GDADRO C[C@@](C[NH3+])(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1CC1 ZINC000237640827 645086832 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CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000262151461 645124471 /nfs/dbraw/zinc/12/44/71/645124471.db2.gz RQKKNWAHSNOPIW-BXUZGUMPSA-N 1 0 393.506 1.382 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1C(F)(F)F ZINC000262182920 645124875 /nfs/dbraw/zinc/12/48/75/645124875.db2.gz BRDYHIUKHWUPMN-TVQRCGJNSA-N 1 0 380.388 1.911 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000262369603 645128583 /nfs/dbraw/zinc/12/85/83/645128583.db2.gz WMWDGTQPHGYBEZ-CJNGLKHVSA-N 1 0 389.543 1.136 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000569136364 650985510 /nfs/dbraw/zinc/98/55/10/650985510.db2.gz ALTKFMBKHLSWFH-HNNXBMFYSA-N 1 0 384.318 1.800 20 0 GDADRO O=C(NCCC[NH2+]C1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000291157359 645198457 /nfs/dbraw/zinc/19/84/57/645198457.db2.gz LQIONNGMDQCQBK-UHFFFAOYSA-N 1 0 389.315 1.736 20 0 GDADRO CN(C)[C@H](C(=O)N(C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000569256003 650991189 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GDADRO O=C(NCCc1ccc(Br)s1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000569600624 651006518 /nfs/dbraw/zinc/00/65/18/651006518.db2.gz VINWRFDTVUUYEG-SNVBAGLBSA-N 1 0 384.303 1.827 20 0 GDADRO COCCCS(=O)(=O)NCC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000569603342 651006527 /nfs/dbraw/zinc/00/65/27/651006527.db2.gz JGYURUHGPGDVGR-UHFFFAOYSA-N 1 0 383.392 1.059 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000330967586 645444643 /nfs/dbraw/zinc/44/46/43/645444643.db2.gz DFWXNJCCRDALQY-CYBMUJFWSA-N 1 0 391.559 1.192 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Br)o1 ZINC000330967895 645445236 /nfs/dbraw/zinc/44/52/36/645445236.db2.gz AHTGSMNUBGPGRU-LLVKDONJSA-N 1 0 380.308 1.346 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CCCC1 ZINC000331205356 645479075 /nfs/dbraw/zinc/47/90/75/645479075.db2.gz CTLQLWWTHIGABW-UHFFFAOYSA-N 1 0 393.506 1.350 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000569921370 651017276 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CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000368255891 645614418 /nfs/dbraw/zinc/61/44/18/645614418.db2.gz XCZAPLMMESHYSU-PEYYIBSZSA-N 1 0 385.917 1.790 20 0 GDADRO COC(=O)c1ccnc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000916270085 660190037 /nfs/dbraw/zinc/19/00/37/660190037.db2.gz OWBHHRZNLCETTJ-UHFFFAOYSA-N 1 0 383.495 1.682 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000370396944 645688928 /nfs/dbraw/zinc/68/89/28/645688928.db2.gz CCROEHVZJMGLNK-WCQYABFASA-N 1 0 396.285 1.679 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000371245173 645732239 /nfs/dbraw/zinc/73/22/39/645732239.db2.gz TUHJGLVAONLCCE-INIZCTEOSA-N 1 0 385.917 1.852 20 0 GDADRO CCS(=O)(=O)N(C)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377906403 645853939 /nfs/dbraw/zinc/85/39/39/645853939.db2.gz QBXZCPUUJGDGJY-KRWDZBQOSA-N 1 0 377.526 1.471 20 0 GDADRO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000570719044 651052379 /nfs/dbraw/zinc/05/23/79/651052379.db2.gz HEAVVEVXUJFDSM-CQSZACIVSA-N 1 0 378.325 1.803 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000570738915 651053429 /nfs/dbraw/zinc/05/34/29/651053429.db2.gz GYIKSWGSYOCTAM-ZUZCIYMTSA-N 1 0 375.878 1.108 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415423350 645894035 /nfs/dbraw/zinc/89/40/35/645894035.db2.gz YMYMOIQMQGSZIB-SSDOTTSWSA-N 1 0 393.079 1.956 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCCC[N@@H+](C)CCN(C)C)c1 ZINC000570753687 651054101 /nfs/dbraw/zinc/05/41/01/651054101.db2.gz FZXXTPXTTDMJEJ-UHFFFAOYSA-N 1 0 392.363 1.919 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415506547 645894894 /nfs/dbraw/zinc/89/48/94/645894894.db2.gz BDJKKWSVFLRGPJ-NSHDSACASA-N 1 0 394.273 1.343 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC3([NH+](C)C)CC3)C2)s1 ZINC000416294777 645900805 /nfs/dbraw/zinc/90/08/05/645900805.db2.gz YZHQJHXJVFEGAR-CQSZACIVSA-N 1 0 385.555 1.668 20 0 GDADRO COc1ccc(Br)c(CC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1 ZINC000416300367 645901624 /nfs/dbraw/zinc/90/16/24/645901624.db2.gz DRQNSAGMMMBNMW-OLZOCXBDSA-N 1 0 385.302 1.914 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000570785598 651055515 /nfs/dbraw/zinc/05/55/15/651055515.db2.gz BCVCPRUVYSUCHW-CYBMUJFWSA-N 1 0 386.327 1.777 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418093435 645908389 /nfs/dbraw/zinc/90/83/89/645908389.db2.gz SLBGYACUNVNOAW-DFBGVHRSSA-N 1 0 395.301 1.852 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000418093543 645908533 /nfs/dbraw/zinc/90/85/33/645908533.db2.gz SXYXWLBGQJBWKA-LLVKDONJSA-N 1 0 379.404 1.660 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419074370 645912082 /nfs/dbraw/zinc/91/20/82/645912082.db2.gz DQUUUIOEQVTWLS-CHWSQXEVSA-N 1 0 394.313 1.793 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C)c2Br)[C@@H](C[NH3+])C1 ZINC000419172500 645913107 /nfs/dbraw/zinc/91/31/07/645913107.db2.gz ZAVGKQDLENLDQK-ZIAGYGMSSA-N 1 0 398.301 1.338 20 0 GDADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCSC[C@H]1C1CCC1)S(C)(=O)=O ZINC000419370453 645914482 /nfs/dbraw/zinc/91/44/82/645914482.db2.gz HKZSSEJQCINZNX-INIZCTEOSA-N 1 0 391.603 1.380 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000419438465 645917673 /nfs/dbraw/zinc/91/76/73/645917673.db2.gz HLTIEAUTKWTOCZ-GXTWGEPZSA-N 1 0 398.301 1.708 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1Br ZINC000419438664 645917758 /nfs/dbraw/zinc/91/77/58/645917758.db2.gz HXVIYGRAADCZAV-QWRGUYRKSA-N 1 0 384.274 1.283 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)CC[NH2+]1 ZINC000419460561 645918598 /nfs/dbraw/zinc/91/85/98/645918598.db2.gz JAHXVHLQRMGWCR-LBPRGKRZSA-N 1 0 380.286 1.417 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419461403 645918727 /nfs/dbraw/zinc/91/87/27/645918727.db2.gz KMQWTYKTOOTXRJ-STQMWFEESA-N 1 0 394.313 1.793 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCCc1cc(Cl)ccc1Br ZINC000419491306 645920137 /nfs/dbraw/zinc/92/01/37/645920137.db2.gz FYYMWVCYEQKGRB-VIFPVBQESA-N 1 0 376.682 1.485 20 0 GDADRO O=C(NCCc1cc(Cl)ccc1Br)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419492231 645920764 /nfs/dbraw/zinc/92/07/64/645920764.db2.gz HDSNQSHRJAEAND-GFCCVEGCSA-N 1 0 388.693 1.629 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1cc(Cl)ccc1Br)C1CC1 ZINC000419493358 645920793 /nfs/dbraw/zinc/92/07/93/645920793.db2.gz IBILZRJKYOUURB-ZDUSSCGKSA-N 1 0 388.693 1.615 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1cc(Cl)ccc1Br)C1CC1 ZINC000419493357 645920938 /nfs/dbraw/zinc/92/09/38/645920938.db2.gz IBILZRJKYOUURB-CYBMUJFWSA-N 1 0 388.693 1.615 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccccc2Br)C1 ZINC000419605951 645924080 /nfs/dbraw/zinc/92/40/80/645924080.db2.gz FGINEVYDWYJXEW-RYUDHWBXSA-N 1 0 384.274 1.153 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419643092 645925896 /nfs/dbraw/zinc/92/58/96/645925896.db2.gz WRQGSUOBNUHRII-CQDKDKBSSA-N 1 0 398.301 1.510 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@@H]1n1cccn1 ZINC000419741905 645929630 /nfs/dbraw/zinc/92/96/30/645929630.db2.gz DEWGFZARWSVERF-LZWOXQAQSA-N 1 0 384.889 1.692 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(Cl)cc1I ZINC000419767713 645931389 /nfs/dbraw/zinc/93/13/89/645931389.db2.gz FCXJSMKRVIGTTK-ZETCQYMHSA-N 1 0 395.628 1.024 20 0 GDADRO C[NH2+]CCN(C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000420335807 645940412 /nfs/dbraw/zinc/94/04/12/645940412.db2.gz JEKZFYKIMIKXIQ-LLVKDONJSA-N 1 0 376.910 1.069 20 0 GDADRO C[NH2+]CCN(C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000420342093 645940417 /nfs/dbraw/zinc/94/04/17/645940417.db2.gz WFCZPXKLZWHFNX-UHFFFAOYSA-N 1 0 385.306 1.306 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421188555 645990438 /nfs/dbraw/zinc/99/04/38/645990438.db2.gz WSHWSHXTQMWGPP-UHFFFAOYSA-N 1 0 398.301 1.375 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000421298048 646002341 /nfs/dbraw/zinc/00/23/41/646002341.db2.gz METVJCNFHOFYIZ-ZDUSSCGKSA-N 1 0 384.274 1.949 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000421699510 646019325 /nfs/dbraw/zinc/01/93/25/646019325.db2.gz BKUJIFIFKMNLND-CYBMUJFWSA-N 1 0 396.285 1.727 20 0 GDADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccncc1Cl ZINC000421847780 646023423 /nfs/dbraw/zinc/02/34/23/646023423.db2.gz YQJJCIVZDZDBPT-LBPRGKRZSA-N 1 0 383.905 1.972 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000422073113 646035977 /nfs/dbraw/zinc/03/59/77/646035977.db2.gz TVCCINSMCVQZEX-CVEARBPZSA-N 1 0 394.313 1.851 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422119333 646042536 /nfs/dbraw/zinc/04/25/36/646042536.db2.gz SCAABHUUPOGPJF-ZDUSSCGKSA-N 1 0 385.306 1.299 20 0 GDADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCc2sccc2Br)C1 ZINC000422286965 646057162 /nfs/dbraw/zinc/05/71/62/646057162.db2.gz XIUPGMRXSOOAPW-LLVKDONJSA-N 1 0 388.331 1.975 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2cccc(Br)c2)CC[N@@H+]1C ZINC000422311912 646059479 /nfs/dbraw/zinc/05/94/79/646059479.db2.gz AFTILJWKOCGHLH-WFASDCNBSA-N 1 0 382.302 1.707 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC(C)(C)CC[NH3+])cc1Br ZINC000422553836 646078080 /nfs/dbraw/zinc/07/80/80/646078080.db2.gz KVEFOYNJVFIURW-UHFFFAOYSA-N 1 0 381.292 1.872 20 0 GDADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422731019 646098201 /nfs/dbraw/zinc/09/82/01/646098201.db2.gz GFNVNRFHASBDSZ-KBPBESRZSA-N 1 0 384.274 1.062 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])s1 ZINC000422942332 646101991 /nfs/dbraw/zinc/10/19/91/646101991.db2.gz WNNNYTIGERPJRT-BPLDGKMQSA-N 1 0 375.560 1.621 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422973902 646104537 /nfs/dbraw/zinc/10/45/37/646104537.db2.gz PVZOJYAFZYOOJP-OAHLLOKOSA-N 1 0 382.302 1.708 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000423020606 646108906 /nfs/dbraw/zinc/10/89/06/646108906.db2.gz CDDIAIHVPXUTDS-ZDUSSCGKSA-N 1 0 384.933 1.114 20 0 GDADRO COC[C@]1(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC000423073938 646111692 /nfs/dbraw/zinc/11/16/92/646111692.db2.gz SXHWTVPHTNERII-WBVHZDCISA-N 1 0 383.286 1.975 20 0 GDADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423094586 646112378 /nfs/dbraw/zinc/11/23/78/646112378.db2.gz CAZOBEYXKQDHCJ-IUODEOHRSA-N 1 0 382.302 1.992 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCc2c(Br)cccc2C1 ZINC000423231762 646119142 /nfs/dbraw/zinc/11/91/42/646119142.db2.gz LQZRBQIBJLRKRQ-BBRMVZONSA-N 1 0 392.297 1.544 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C[C@@H]1C[NH3+] ZINC000423232773 646119278 /nfs/dbraw/zinc/11/92/78/646119278.db2.gz NELDSIPCZPTCRA-JSGCOSHPSA-N 1 0 394.313 1.777 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423397055 646124623 /nfs/dbraw/zinc/12/46/23/646124623.db2.gz UIWILJYOUOPXEZ-HNNXBMFYSA-N 1 0 394.313 1.889 20 0 GDADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423530403 646128326 /nfs/dbraw/zinc/12/83/26/646128326.db2.gz WQIIDFJIKCZRLH-RISCZKNCSA-N 1 0 384.274 1.155 20 0 GDADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423556443 646130157 /nfs/dbraw/zinc/13/01/57/646130157.db2.gz HBLAVIMICPJZJW-STQMWFEESA-N 1 0 398.301 1.545 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)C[C@H]1[NH3+] ZINC000423578287 646132677 /nfs/dbraw/zinc/13/26/77/646132677.db2.gz KQVQWDZWULTCLQ-HONMWMINSA-N 1 0 396.285 1.537 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000423582879 646133913 /nfs/dbraw/zinc/13/39/13/646133913.db2.gz YHICMUYMHAYWJF-VZJVUDMVSA-N 1 0 398.276 1.742 20 0 GDADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423585719 646133936 /nfs/dbraw/zinc/13/39/36/646133936.db2.gz AFGCDFIESUWOIZ-OAHLLOKOSA-N 1 0 382.302 1.790 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000423589319 646134447 /nfs/dbraw/zinc/13/44/47/646134447.db2.gz HRVDQEJYQMIZAM-GXTWGEPZSA-N 1 0 381.274 1.457 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423596290 646135088 /nfs/dbraw/zinc/13/50/88/646135088.db2.gz MMINLCPUSLBKBO-QGZVFWFLSA-N 1 0 382.302 1.995 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)NC2CC([NH+](C)C)C2)cc1OC ZINC000916955439 660203847 /nfs/dbraw/zinc/20/38/47/660203847.db2.gz HPAMRUWXCILJHI-UHFFFAOYSA-N 1 0 393.303 1.837 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000423598108 646135767 /nfs/dbraw/zinc/13/57/67/646135767.db2.gz VQNPNOYVDFJDND-AWEZNQCLSA-N 1 0 398.305 1.020 20 0 GDADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000423600104 646135838 /nfs/dbraw/zinc/13/58/38/646135838.db2.gz AKJAOCDDFXMVGG-OAHLLOKOSA-N 1 0 396.285 1.171 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000423612077 646137248 /nfs/dbraw/zinc/13/72/48/646137248.db2.gz TVHDVMDFPGRMRS-SNVBAGLBSA-N 1 0 388.693 1.881 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000423625369 646138511 /nfs/dbraw/zinc/13/85/11/646138511.db2.gz CXQGFEDAJVADOC-JSGCOSHPSA-N 1 0 382.302 1.646 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000423653729 646139795 /nfs/dbraw/zinc/13/97/95/646139795.db2.gz PMLZAHWPPYZBDB-QWRGUYRKSA-N 1 0 386.265 1.755 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000423678226 646142731 /nfs/dbraw/zinc/14/27/31/646142731.db2.gz SGVRUROIOIKJGW-OLZOCXBDSA-N 1 0 384.933 1.241 20 0 GDADRO C[C@@H]1CN(C(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)C[C@H]1[NH3+] ZINC000423945097 646145157 /nfs/dbraw/zinc/14/51/57/646145157.db2.gz HRJOTIJVCZYLPC-MWLCHTKSSA-N 1 0 378.523 1.924 20 0 GDADRO [NH3+]C[C@@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CCCC1 ZINC000423948548 646145797 /nfs/dbraw/zinc/14/57/97/646145797.db2.gz WXYOLYUWOFNTDM-OAHLLOKOSA-N 1 0 393.285 1.793 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000423952950 646146427 /nfs/dbraw/zinc/14/64/27/646146427.db2.gz LRFZSRHOSPNJBL-ZDUSSCGKSA-N 1 0 391.331 1.854 20 0 GDADRO [NH3+]CCC[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1ccccc1 ZINC000423972897 646148431 /nfs/dbraw/zinc/14/84/31/646148431.db2.gz PRVHYJBZVIMOSN-ZDUSSCGKSA-N 1 0 395.257 1.308 20 0 GDADRO COc1ccc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000423994272 646150550 /nfs/dbraw/zinc/15/05/50/646150550.db2.gz CAGJLOLAENPBTL-ZDUSSCGKSA-N 1 0 394.273 1.985 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)Cc3cccc(Br)c3)C2)nn1 ZINC000423994742 646151280 /nfs/dbraw/zinc/15/12/80/646151280.db2.gz CSZVXATXOAMGMJ-HNNXBMFYSA-N 1 0 378.274 1.906 20 0 GDADRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1Br ZINC000424005392 646151919 /nfs/dbraw/zinc/15/19/19/646151919.db2.gz RSKTVAXURLBNNN-LLVKDONJSA-N 1 0 396.293 1.823 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cc(Br)ccc3O)C2)nn1 ZINC000424010300 646152757 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GDADRO CNS(=O)(=O)c1csc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000424042401 646156141 /nfs/dbraw/zinc/15/61/41/646156141.db2.gz XDGMOSLEEIBAJO-GXTWGEPZSA-N 1 0 383.470 1.362 20 0 GDADRO C[C@@H]1C[C@@H](C)N(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000424050648 646156752 /nfs/dbraw/zinc/15/67/52/646156752.db2.gz FECJVGZBMRWRKD-MCIONIFRSA-N 1 0 387.933 1.840 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)COc3ccccc3Br)C[C@H]2[NH3+])cn1 ZINC000424230004 646167357 /nfs/dbraw/zinc/16/73/57/646167357.db2.gz YYFXKMJKJDKYCF-GXTWGEPZSA-N 1 0 379.258 1.515 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)c3cccc(I)c3)C[C@H]2[NH3+])cn1 ZINC000424245008 646171432 /nfs/dbraw/zinc/17/14/32/646171432.db2.gz TZEPJRVPBBNABO-UONOGXRCSA-N 1 0 396.232 1.592 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424364638 646174567 /nfs/dbraw/zinc/17/45/67/646174567.db2.gz SJRZHTMIWHSCSB-VXGBXAGGSA-N 1 0 375.878 1.855 20 0 GDADRO COc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)c(Br)c1 ZINC000439215117 646228789 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20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ncc(Br)cn1 ZINC000917837109 660222431 /nfs/dbraw/zinc/22/24/31/660222431.db2.gz MQGSTBXRYFDVBB-CYBMUJFWSA-N 1 0 386.294 1.491 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000917959217 660225757 /nfs/dbraw/zinc/22/57/57/660225757.db2.gz CDFDBIWYABHSAC-CVEARBPZSA-N 1 0 396.333 1.936 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1c(C)[nH]nc1I ZINC000896402913 658776579 /nfs/dbraw/zinc/77/65/79/658776579.db2.gz KFBPSCJYQXHBMD-JTQLQIEISA-N 1 0 376.242 1.927 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000903480731 659316577 /nfs/dbraw/zinc/31/65/77/659316577.db2.gz ZOUIUICBCFGQKD-ZYHUDNBSSA-N 1 0 399.314 1.959 20 0 GDADRO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1ccc(I)s1 ZINC000903486730 659317071 /nfs/dbraw/zinc/31/70/71/659317071.db2.gz UAFWGFOCWORBGK-MRVPVSSYSA-N 1 0 386.280 1.631 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903526800 659330448 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COC(=O)c1nscc1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000443030688 647173282 /nfs/dbraw/zinc/17/32/82/647173282.db2.gz ZOFMAYAHDVNJIY-NSHDSACASA-N 1 0 375.516 1.719 20 0 GDADRO CCC(CC)[C@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)NC)[NH+](C)C ZINC000443219011 647189181 /nfs/dbraw/zinc/18/91/81/647189181.db2.gz GDCBDMCJUWLCSS-AWEZNQCLSA-N 1 0 391.559 1.239 20 0 GDADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)s1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000443315043 647199656 /nfs/dbraw/zinc/19/96/56/647199656.db2.gz CQIPFCMBDWPYKQ-BBBLOLIVSA-N 1 0 395.344 1.853 20 0 GDADRO CC1([NH+]2CCCC2)CCC(NC(=O)NCCOCCS(C)(=O)=O)CC1 ZINC000920389243 660270685 /nfs/dbraw/zinc/27/06/85/660270685.db2.gz BYNSMJTURXUFHK-UHFFFAOYSA-N 1 0 375.535 1.144 20 0 GDADRO C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)CC1(O)CCCC1 ZINC000443867491 647227082 /nfs/dbraw/zinc/22/70/82/647227082.db2.gz JFJGEXBFWVQLEX-UHFFFAOYSA-N 1 0 375.878 1.163 20 0 GDADRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000444205060 647244875 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BZARFLLIHXWGFN-CYBMUJFWSA-N 1 0 398.301 1.469 20 0 GDADRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000920074042 660265097 /nfs/dbraw/zinc/26/50/97/660265097.db2.gz LIGWETAMAOQDDL-GFCCVEGCSA-N 1 0 379.262 1.738 20 0 GDADRO C[NH+](C)CCCNC(=S)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000920081420 660265375 /nfs/dbraw/zinc/26/53/75/660265375.db2.gz QTVQWMXAYXBZOC-ZDUSSCGKSA-N 1 0 379.448 1.861 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452382093 647321638 /nfs/dbraw/zinc/32/16/38/647321638.db2.gz XHIQYRIRBAGILH-CQSZACIVSA-N 1 0 395.301 1.982 20 0 GDADRO C[N@H+](CCCCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000457186980 647414566 /nfs/dbraw/zinc/41/45/66/647414566.db2.gz QFTIFIITDLZVHA-UHFFFAOYSA-N 1 0 387.933 1.999 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000458204451 647438105 /nfs/dbraw/zinc/43/81/05/647438105.db2.gz QIFGCYNNEKEKBR-UHFFFAOYSA-N 1 0 381.523 1.741 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)N2CCn3nc(C(F)(F)F)cc3C2)CCSC1 ZINC000921312384 660286248 /nfs/dbraw/zinc/28/62/48/660286248.db2.gz ZSMVOPZXOIPPCM-AWEZNQCLSA-N 1 0 377.436 1.864 20 0 GDADRO OC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1O ZINC000459686035 647464064 /nfs/dbraw/zinc/46/40/64/647464064.db2.gz GXUKSASZAQTCOD-GAFUQQFSSA-N 1 0 380.666 1.127 20 0 GDADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459696578 647464551 /nfs/dbraw/zinc/46/45/51/647464551.db2.gz LOUKQAPTRXKDPK-SMDDNHRTSA-N 1 0 382.262 1.408 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCCc2ccc(Br)cc2F)C1 ZINC000460266386 647468986 /nfs/dbraw/zinc/46/89/86/647468986.db2.gz STSCEKFQLYKENU-MRXNPFEDSA-N 1 0 388.281 1.887 20 0 GDADRO CN(CC(=O)NCC(=O)Nc1ccccc1Br)[C@H](C[NH3+])C1CC1 ZINC000461902333 647503541 /nfs/dbraw/zinc/50/35/41/647503541.db2.gz RDEBPGSUCVMNLZ-CQSZACIVSA-N 1 0 383.290 1.173 20 0 GDADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000461903185 647503543 /nfs/dbraw/zinc/50/35/43/647503543.db2.gz SXLVYSJKHYNKSX-LBPRGKRZSA-N 1 0 375.288 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O=C(c1cc[nH]c(=O)c1Br)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000469408706 647709970 /nfs/dbraw/zinc/70/99/70/647709970.db2.gz VWQXMWWZQWONKI-LBPRGKRZSA-N 1 0 384.274 1.734 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CCO1 ZINC000469434442 647710987 /nfs/dbraw/zinc/71/09/87/647710987.db2.gz PPWHYYIMPRHMSI-JSGCOSHPSA-N 1 0 396.285 1.664 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000469470333 647712459 /nfs/dbraw/zinc/71/24/59/647712459.db2.gz IXUKHCGFABLGDW-GFCCVEGCSA-N 1 0 393.303 1.586 20 0 GDADRO CN(C)Cc1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1Br ZINC000469482610 647712816 /nfs/dbraw/zinc/71/28/16/647712816.db2.gz VXPGUNNFSQOBDS-MRXNPFEDSA-N 1 0 381.318 1.839 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCCOCC[NH+](C)C)cc1Cl ZINC000471642717 647749860 /nfs/dbraw/zinc/74/98/60/647749860.db2.gz DHMLPXJPUIEJTC-UHFFFAOYSA-N 1 0 381.857 1.294 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)c1ccc(F)cc1Br)C[NH+](C)C ZINC000921636137 660317526 /nfs/dbraw/zinc/31/75/26/660317526.db2.gz MUKKZDCZCZGMFT-NSHDSACASA-N 1 0 383.283 1.833 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000477191945 647797642 /nfs/dbraw/zinc/79/76/42/647797642.db2.gz UBYPHBPZCNRPEA-VIFPVBQESA-N 1 0 378.292 1.167 20 0 GDADRO CC[N@H+](CC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)C1CC1 ZINC000478547615 647813794 /nfs/dbraw/zinc/81/37/94/647813794.db2.gz IBOQTYWJWJESAG-MRXNPFEDSA-N 1 0 380.286 1.933 20 0 GDADRO C[N@H+](CC(=O)NCC(=O)Nc1cccc(Br)c1)[C@@H]1CCSC1 ZINC000482137470 647893578 /nfs/dbraw/zinc/89/35/78/647893578.db2.gz DOSVCNIEXHDNKI-CYBMUJFWSA-N 1 0 386.315 1.941 20 0 GDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000483484408 647903708 /nfs/dbraw/zinc/90/37/08/647903708.db2.gz QDQWOVUBHIKKFK-QMMMGPOBSA-N 1 0 378.654 1.080 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000487009008 647941771 /nfs/dbraw/zinc/94/17/71/647941771.db2.gz KIFNXLOCGVXJTO-UHFFFAOYSA-N 1 0 375.535 1.505 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCOc1ccc(I)cc1 ZINC000488585262 647962963 /nfs/dbraw/zinc/96/29/63/647962963.db2.gz VSWQKMYZEVJELK-FZMZJTMJSA-N 1 0 388.249 1.984 20 0 GDADRO CC[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1)[NH+](CC)CC ZINC000489761193 647982780 /nfs/dbraw/zinc/98/27/80/647982780.db2.gz KEZUCOVVDQLPAX-HZPDHXFCSA-N 1 0 377.551 1.006 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000490042352 647985029 /nfs/dbraw/zinc/98/50/29/647985029.db2.gz IGBHPXVSORJXLR-JTQLQIEISA-N 1 0 377.894 1.783 20 0 GDADRO CC1(C)NC(=O)CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000495013981 648009541 /nfs/dbraw/zinc/00/95/41/648009541.db2.gz BCFRHESOWMOUSF-GFCCVEGCSA-N 1 0 394.324 1.919 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCc2cccc(Br)c2C1 ZINC000497325403 648024110 /nfs/dbraw/zinc/02/41/10/648024110.db2.gz CIYPIROHUPDWCI-CYBMUJFWSA-N 1 0 375.288 1.096 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000497352204 648025783 /nfs/dbraw/zinc/02/57/83/648025783.db2.gz ISDRNHXZWNHURD-BXUZGUMPSA-N 1 0 394.946 1.775 20 0 GDADRO CC[NH2+]CCNS(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000497355346 648026595 /nfs/dbraw/zinc/02/65/95/648026595.db2.gz VARZYUOYRLOMMI-UHFFFAOYSA-N 1 0 381.292 1.362 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000497358092 648027080 /nfs/dbraw/zinc/02/70/80/648027080.db2.gz MCWHOFUZZCLXRW-HIFRSBDPSA-N 1 0 387.571 1.811 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)C[NH2+]C)cc1F ZINC000497360767 648027510 /nfs/dbraw/zinc/02/75/10/648027510.db2.gz DLLPZNAEVMOFMF-LLVKDONJSA-N 1 0 381.495 1.111 20 0 GDADRO CCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H](C)CS(C)(=O)=O ZINC000497713575 648035937 /nfs/dbraw/zinc/03/59/37/648035937.db2.gz MCJVIXBYYCGCTR-OAHLLOKOSA-N 1 0 375.535 1.096 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000497728318 648036385 /nfs/dbraw/zinc/03/63/85/648036385.db2.gz HQQVPHQLURCDOM-HNNXBMFYSA-N 1 0 388.917 1.266 20 0 GDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000497857437 648040081 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GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000499564303 648084903 /nfs/dbraw/zinc/08/49/03/648084903.db2.gz HKAXWQMIJBFXKN-RYUDHWBXSA-N 1 0 391.299 1.864 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000499940849 648096333 /nfs/dbraw/zinc/09/63/33/648096333.db2.gz WJVSULYEIFWLFD-GJZGRUSLSA-N 1 0 379.592 1.284 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500807712 648119830 /nfs/dbraw/zinc/11/98/30/648119830.db2.gz PTUPCZWRHUENKD-UHFFFAOYSA-N 1 0 376.567 1.421 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(Br)cc1O ZINC000500877792 648121529 /nfs/dbraw/zinc/12/15/29/648121529.db2.gz XYDQHZPMMDKRRB-CYBMUJFWSA-N 1 0 384.318 1.839 20 0 GDADRO CC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)[NH+](C)C ZINC000502434973 648165897 /nfs/dbraw/zinc/16/58/97/648165897.db2.gz NILCZWXXYOWAAU-OAHLLOKOSA-N 1 0 391.896 1.652 20 0 GDADRO CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)[NH+](C)C ZINC000502434972 648165994 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1.882 20 0 GDADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000510039145 648313988 /nfs/dbraw/zinc/31/39/88/648313988.db2.gz DROOCTHCEHEIEW-AWEZNQCLSA-N 1 0 399.296 1.371 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cn2ccc(Br)cc2n1 ZINC000510167195 648318440 /nfs/dbraw/zinc/31/84/40/648318440.db2.gz DAEMZMJXYWAFEM-CYBMUJFWSA-N 1 0 394.273 1.166 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000510766892 648341097 /nfs/dbraw/zinc/34/10/97/648341097.db2.gz VFQZZYAKQONFCG-NUEKZKHPSA-N 1 0 376.906 1.530 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000512010055 648394833 /nfs/dbraw/zinc/39/48/33/648394833.db2.gz QAVKKTRQHLGMFM-LSDHHAIUSA-N 1 0 385.555 1.749 20 0 GDADRO COCCN1CCC[C@@H]1C[NH2+]Cc1ncc(I)s1 ZINC000512131989 648397665 /nfs/dbraw/zinc/39/76/65/648397665.db2.gz QNPSXSIRIKAKRE-SNVBAGLBSA-N 1 0 381.283 1.948 20 0 GDADRO C[C@H]1OCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512893023 648417135 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386.290 1.528 20 0 GDADRO [NH3+][C@@H]1CCc2ncc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000578238121 651783852 /nfs/dbraw/zinc/78/38/52/651783852.db2.gz LHEXRQSKGZSQFA-CYBMUJFWSA-N 1 0 379.869 1.963 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000578505326 651795886 /nfs/dbraw/zinc/79/58/86/651795886.db2.gz REPYSBIKDDSCGO-YMTOWFKASA-N 1 0 389.315 1.970 20 0 GDADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1c(F)cccc1Cl ZINC000578508379 651796005 /nfs/dbraw/zinc/79/60/05/651796005.db2.gz QFKQMRBWJNWHSI-UHFFFAOYSA-N 1 0 375.897 1.974 20 0 GDADRO C[C@@H](C(=O)N(C)C1CC[NH2+]CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000578505395 651796088 /nfs/dbraw/zinc/79/60/88/651796088.db2.gz WYUASWFOAWJOEF-JTQLQIEISA-N 1 0 394.269 1.644 20 0 GDADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1cn2cc(Br)cc(C)c2n1 ZINC000578619964 651800645 /nfs/dbraw/zinc/80/06/45/651800645.db2.gz GJBQYQMNMOOKQX-DOMZBBRYSA-N 1 0 386.290 1.907 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CC[C@H](F)C1 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CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000579945193 651887324 /nfs/dbraw/zinc/88/73/24/651887324.db2.gz XUVZLYLOZPERNS-GFCCVEGCSA-N 1 0 386.265 1.744 20 0 GDADRO COCCN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000580065403 651892509 /nfs/dbraw/zinc/89/25/09/651892509.db2.gz VJQFJTLNMPZDPG-JKSUJKDBSA-N 1 0 387.318 1.889 20 0 GDADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000580072475 651893446 /nfs/dbraw/zinc/89/34/46/651893446.db2.gz JABATUOOWUNFMJ-NEPJUHHUSA-N 1 0 393.481 1.405 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCc3cc(Br)ccc32)C1 ZINC000580196375 651903416 /nfs/dbraw/zinc/90/34/16/651903416.db2.gz IEZFCKJZOUSNEF-BBRMVZONSA-N 1 0 394.313 1.792 20 0 GDADRO Cc1sc2c(cccc2C)c1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580216917 651905285 /nfs/dbraw/zinc/90/52/85/651905285.db2.gz MIRHRGODTJWODM-TZMCWYRMSA-N 1 0 379.507 1.451 20 0 GDADRO Cc1sc2c(cccc2C)c1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580216914 651905403 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391.287 1.655 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000595112153 652393391 /nfs/dbraw/zinc/39/33/91/652393391.db2.gz UEWLFFTXPDUFTP-LBPRGKRZSA-N 1 0 391.287 1.594 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)s1 ZINC000595154322 652394852 /nfs/dbraw/zinc/39/48/52/652394852.db2.gz SZSFPSHXUYSUFQ-CYBMUJFWSA-N 1 0 383.543 1.807 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NCC2([NH3+])CCCC2)ccc1Br ZINC000595238448 652399954 /nfs/dbraw/zinc/39/99/54/652399954.db2.gz YRKCPLJAEUGWCI-UHFFFAOYSA-N 1 0 398.257 1.562 20 0 GDADRO C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(F)c(Br)c1 ZINC000595267300 652401411 /nfs/dbraw/zinc/40/14/11/652401411.db2.gz WTFQNRPEFMOTLJ-CHIMOYNISA-N 1 0 399.264 1.603 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595403403 652417428 /nfs/dbraw/zinc/41/74/28/652417428.db2.gz DSQFUMQGCVPVRV-CYBMUJFWSA-N 1 0 390.527 1.574 20 0 GDADRO COC(=O)CCN1CCC[C@@H]([N@H+](C)CCn2cc(Br)cn2)C1=O ZINC000595487837 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CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000638299111 653537762 /nfs/dbraw/zinc/53/77/62/653537762.db2.gz IBGLBALYINISFC-YLVFBTJISA-N 1 0 386.279 1.982 20 0 GDADRO C[C@]1(C(=O)NCc2nc(-c3cccc(Br)c3)no2)C[NH2+]CCO1 ZINC000638323961 653538206 /nfs/dbraw/zinc/53/82/06/653538206.db2.gz MFWQQQCVWPMFRB-OAHLLOKOSA-N 1 0 381.230 1.494 20 0 GDADRO Cc1cc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCOCC2)sn1 ZINC000638359925 653538841 /nfs/dbraw/zinc/53/88/41/653538841.db2.gz FNAXQQWSVYKLRG-UHFFFAOYSA-N 1 0 381.523 1.903 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@@]2(OC)CCOC2)s1 ZINC000638533750 653538948 /nfs/dbraw/zinc/53/89/48/653538948.db2.gz YXEKHEZHXLMXJF-INIZCTEOSA-N 1 0 376.544 1.716 20 0 GDADRO CC(=O)N[C@H](CC(=O)NCC1([NH3+])CCOCC1)c1ccc(Br)cc1 ZINC000638538712 653539236 /nfs/dbraw/zinc/53/92/36/653539236.db2.gz VOZZELGOINCKAG-OAHLLOKOSA-N 1 0 398.301 1.641 20 0 GDADRO [NH3+]C1(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCOCC1 ZINC000638538416 653539241 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C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(S(N)(=O)=O)s3)nc2)C1 ZINC000638790197 653543695 /nfs/dbraw/zinc/54/36/95/653543695.db2.gz WHZZBSFUYFAUQL-CYBMUJFWSA-N 1 0 381.527 1.543 20 0 GDADRO CN(CCNC1CC[NH+](CC(C)(C)O)CC1)S(=O)(=O)c1cccs1 ZINC000638788445 653543697 /nfs/dbraw/zinc/54/36/97/653543697.db2.gz YMGVELMTYFTOOE-UHFFFAOYSA-N 1 0 375.560 1.194 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639071979 653545508 /nfs/dbraw/zinc/54/55/08/653545508.db2.gz UQJHUHAUCDCJAS-OLZOCXBDSA-N 1 0 379.507 1.894 20 0 GDADRO O=C(NCC[NH2+]Cc1cc2c(cn1)OCCO2)c1ccc(Br)cn1 ZINC000639305714 653549801 /nfs/dbraw/zinc/54/98/01/653549801.db2.gz VYGYKDNFRLUHHN-UHFFFAOYSA-N 1 0 393.241 1.530 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639487977 653551048 /nfs/dbraw/zinc/55/10/48/653551048.db2.gz BVEWCTJRQWIOJC-LBPRGKRZSA-N 1 0 381.424 1.054 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)s1 ZINC000639763092 653552750 /nfs/dbraw/zinc/55/27/50/653552750.db2.gz ASMGPAWOLTTYTH-ZBFHGGJFSA-N 1 0 388.555 1.798 20 0 GDADRO O=C1[C@H]([N@H+](CCN2CCOCC2)[C@@H]2CCSC2)CCN1CC(F)(F)F ZINC000639773660 653553188 /nfs/dbraw/zinc/55/31/88/653553188.db2.gz DLFCATDWBJIREM-ZIAGYGMSSA-N 1 0 381.464 1.289 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(Cc2ccc(OC)c(OC)c2Br)nn1 ZINC000640989872 653561951 /nfs/dbraw/zinc/56/19/51/653561951.db2.gz RIAPSRFYLQNCRM-NSHDSACASA-N 1 0 385.262 1.622 20 0 GDADRO C[NH+]1CCN(Cc2cn(Cc3cc4c(c(Br)c3)OCO4)nn2)CC1 ZINC000640988765 653562016 /nfs/dbraw/zinc/56/20/16/653562016.db2.gz SMLWKKKOCYAEGC-UHFFFAOYSA-N 1 0 394.273 1.565 20 0 GDADRO [NH3+][C@H](CO)c1cn(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nn1 ZINC000641003239 653562153 /nfs/dbraw/zinc/56/21/53/653562153.db2.gz PQUNUMXXFFCNAY-HIFRSBDPSA-N 1 0 384.267 1.941 20 0 GDADRO CN(CCC[NH3+])Cc1cn(C[C@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000641203480 653562925 /nfs/dbraw/zinc/56/29/25/653562925.db2.gz AFZQKHPDHKFBOV-ZDUSSCGKSA-N 1 0 388.299 1.805 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000641646694 653573877 /nfs/dbraw/zinc/57/38/77/653573877.db2.gz BAWRRQXYEZYBSX-UHFFFAOYSA-N 1 0 375.922 1.655 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000641663531 653574821 /nfs/dbraw/zinc/57/48/21/653574821.db2.gz AJKLPDLJEDCXOO-KRWDZBQOSA-N 1 0 396.329 1.976 20 0 GDADRO O=C(N[C@H]1CCOc2c(Br)cccc21)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642351410 653578161 /nfs/dbraw/zinc/57/81/61/653578161.db2.gz QJQGZZFZAYCSGH-RISCZKNCSA-N 1 0 396.285 1.647 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000642640494 653578902 /nfs/dbraw/zinc/57/89/02/653578902.db2.gz KYLKUTIUVRYISZ-LBPRGKRZSA-N 1 0 388.295 1.824 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000642682318 653579075 /nfs/dbraw/zinc/57/90/75/653579075.db2.gz ROORERVIRSUOLK-DZGCQCFKSA-N 1 0 382.302 1.694 20 0 GDADRO O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(=O)N1CC[NH2+]CC1 ZINC000642780757 653579248 /nfs/dbraw/zinc/57/92/48/653579248.db2.gz LEFZYKQUITYZGW-IUCAKERBSA-N 1 0 375.313 1.444 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NC2CCC(OC(F)F)CC2)CCSC1 ZINC000643329211 653581667 /nfs/dbraw/zinc/58/16/67/653581667.db2.gz VCKQLHYNRCHEMV-ZEPSKSRBSA-N 1 0 379.473 1.207 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643485561 653583111 /nfs/dbraw/zinc/58/31/11/653583111.db2.gz ISJLQGBYGRCJGO-HIFRSBDPSA-N 1 0 380.286 1.618 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)Cc2csc(Br)c2)CCO1 ZINC000643494786 653583142 /nfs/dbraw/zinc/58/31/42/653583142.db2.gz CRWHQYFAIJZYPU-KOLCDFICSA-N 1 0 390.303 1.044 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000643508971 653583361 /nfs/dbraw/zinc/58/33/61/653583361.db2.gz XAMYTEHXTUXGHE-CQSZACIVSA-N 1 0 382.302 1.647 20 0 GDADRO CC1(C)C[NH2+][C@@H]1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000643978662 653593627 /nfs/dbraw/zinc/59/36/27/653593627.db2.gz POOHIZSYIVVSNO-OAHLLOKOSA-N 1 0 385.555 1.579 20 0 GDADRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000643979748 653593657 /nfs/dbraw/zinc/59/36/57/653593657.db2.gz GKLOKLIMKXBKGU-GFCCVEGCSA-N 1 0 377.919 1.232 20 0 GDADRO C[C@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000644014723 653594822 /nfs/dbraw/zinc/59/48/22/653594822.db2.gz HFSZHQAIMLPAPZ-SMDDNHRTSA-N 1 0 375.441 1.359 20 0 GDADRO CC1(C)C[NH2+]CCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000644074506 653595339 /nfs/dbraw/zinc/59/53/39/653595339.db2.gz SLIRNTZDCMOJCO-UHFFFAOYSA-N 1 0 382.258 1.385 20 0 GDADRO CC1(C)C[NH2+]CCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000644074217 653595367 /nfs/dbraw/zinc/59/53/67/653595367.db2.gz GCCSJZBOQPOYGO-UHFFFAOYSA-N 1 0 393.285 1.760 20 0 GDADRO C[C@@H](OC[C@@H](O)C[NH2+]CC(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000644557321 653599305 /nfs/dbraw/zinc/59/93/05/653599305.db2.gz IBBBZGQZMFFUDM-DOMZBBRYSA-N 1 0 378.922 1.696 20 0 GDADRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C(=O)N1CCOCC1 ZINC000644586254 653599493 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CC1(OCC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C[NH2+]C1 ZINC000648010575 653637332 /nfs/dbraw/zinc/63/73/32/653637332.db2.gz IXFDDGWWJJXMNQ-UHFFFAOYSA-N 1 0 386.279 1.656 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@@H](C)n1cc(Br)cn1 ZINC000648359542 653646972 /nfs/dbraw/zinc/64/69/72/653646972.db2.gz QOHLJTZNVUBSEL-ZIAGYGMSSA-N 1 0 386.338 1.739 20 0 GDADRO C[C@H](CC(=O)N(C)CCCN1CC[NH+](C)CC1)n1cc(Br)cn1 ZINC000648777706 653655183 /nfs/dbraw/zinc/65/51/83/653655183.db2.gz SFXLFFASXBEIDC-CQSZACIVSA-N 1 0 386.338 1.693 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648781861 653655455 /nfs/dbraw/zinc/65/54/55/653655455.db2.gz AIUDMHRUQIVOEF-UHFFFAOYSA-N 1 0 394.317 1.703 20 0 GDADRO C[C@@H](CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)n1cc(Br)cn1 ZINC000649068637 653663181 /nfs/dbraw/zinc/66/31/81/653663181.db2.gz KPMLILCIYISSFG-NWDGAFQWSA-N 1 0 386.294 1.175 20 0 GDADRO C[C@]([NH3+])(C(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000649278962 653666404 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O=S(=O)(c1ccc2c(c1)CS(=O)(=O)C2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000652369162 653888771 /nfs/dbraw/zinc/88/87/71/653888771.db2.gz MOYNDSLDCHSWSA-KRWDZBQOSA-N 1 0 384.523 1.268 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000652633819 653894349 /nfs/dbraw/zinc/89/43/49/653894349.db2.gz BZGFVUPHOCDAEN-UHFFFAOYSA-N 1 0 376.201 1.911 20 0 GDADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653058919 653904655 /nfs/dbraw/zinc/90/46/55/653904655.db2.gz MFXQIIVXQNRHJQ-ZBEGNZNMSA-N 1 0 382.258 1.082 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000653062140 653904742 /nfs/dbraw/zinc/90/47/42/653904742.db2.gz NIUDYMCGEHBIGF-JTQLQIEISA-N 1 0 378.786 1.297 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000653112982 653906553 /nfs/dbraw/zinc/90/65/53/653906553.db2.gz OVXRRQSSDHNBLC-BBRMVZONSA-N 1 0 383.334 1.671 20 0 GDADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000653140484 653907265 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383.436 1.932 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654548780 653940499 /nfs/dbraw/zinc/94/04/99/653940499.db2.gz QNXDTOOJDRJQHW-XUWVNRHRSA-N 1 0 380.286 1.765 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1Br ZINC000654907371 653950690 /nfs/dbraw/zinc/95/06/90/653950690.db2.gz DSHOTBBVYGVANB-QWHCGFSZSA-N 1 0 396.285 1.282 20 0 GDADRO C[NH+](C)CCCC(C)(C)NC(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000654989499 653953796 /nfs/dbraw/zinc/95/37/96/653953796.db2.gz LWZWACLRVZLCPX-UHFFFAOYSA-N 1 0 376.567 1.658 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000655075197 653957750 /nfs/dbraw/zinc/95/77/50/653957750.db2.gz ZIYTWWZIYABCJY-HZPDHXFCSA-N 1 0 389.587 1.134 20 0 GDADRO C[C@@H](NC(=O)c1cc(Br)cc2[nH]cnc21)C(=O)NCC[NH+](C)C ZINC000655081134 653958024 /nfs/dbraw/zinc/95/80/24/653958024.db2.gz PZULBMIQBRXEQC-SECBINFHSA-N 1 0 382.262 1.122 20 0 GDADRO O=C(N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1(c2cc(F)cc(Br)c2)CC1 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OTRTXGWEHBRKQM-NWDGAFQWSA-N 1 0 378.782 1.976 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)C(F)(F)F ZINC000655914567 653993880 /nfs/dbraw/zinc/99/38/80/653993880.db2.gz MIWFSTKLQSORAN-VIFPVBQESA-N 1 0 384.152 1.867 20 0 GDADRO [NH3+]C[C@H](NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)C(F)(F)F ZINC000655928394 653994684 /nfs/dbraw/zinc/99/46/84/653994684.db2.gz RTMBCKCRXJHKJP-UWVGGRQHSA-N 1 0 388.159 1.810 20 0 GDADRO Cc1csc(-c2ccc(S(=O)(=O)N(C)CCN3CC[NH2+]CC3)cc2)n1 ZINC000655949778 653995733 /nfs/dbraw/zinc/99/57/33/653995733.db2.gz BNNRIUOGLPVHAF-UHFFFAOYSA-N 1 0 380.539 1.644 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F)C(F)(F)F ZINC000655957176 653996230 /nfs/dbraw/zinc/99/62/30/653996230.db2.gz QMBLLFZOWIIWJD-SECBINFHSA-N 1 0 389.708 1.928 20 0 GDADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655960025 653996801 /nfs/dbraw/zinc/99/68/01/653996801.db2.gz UCQOJWUFIIRAEI-JTQLQIEISA-N 1 0 380.754 1.633 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655959225 653996822 /nfs/dbraw/zinc/99/68/22/653996822.db2.gz STGXIPVLDSNDFM-SNVBAGLBSA-N 1 0 382.180 1.956 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)NCc2cccc(Br)c2C)C[C@H]1C[NH3+] ZINC000656024919 654000500 /nfs/dbraw/zinc/00/05/00/654000500.db2.gz XRUXEYJZODXXEN-UKRRQHHQSA-N 1 0 398.301 1.196 20 0 GDADRO CN(C)S(=O)(=O)C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)C(F)(F)F ZINC000656259358 654012520 /nfs/dbraw/zinc/01/25/20/654012520.db2.gz GJBQUMLNMIQNHZ-KGLIPLIRSA-N 1 0 387.468 1.042 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000656329937 654014717 /nfs/dbraw/zinc/01/47/17/654014717.db2.gz WKIFNVVTASCVCN-LPEHRKFASA-N 1 0 378.420 1.796 20 0 GDADRO CCc1ccc([C@H](CNC(=O)c2sccc2S(N)(=O)=O)[NH+](C)C)cc1 ZINC000656399849 654029789 /nfs/dbraw/zinc/02/97/89/654029789.db2.gz FGXNWEIYSNIOBK-AWEZNQCLSA-N 1 0 381.523 1.991 20 0 GDADRO COC1CCN(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000656889491 654064840 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XPXHDWFMYPPULH-GFCCVEGCSA-N 1 0 385.917 1.963 20 0 GDADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000658081581 654181124 /nfs/dbraw/zinc/18/11/24/654181124.db2.gz RPKKNPCXYVOTNR-CQSZACIVSA-N 1 0 388.555 1.816 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000658373906 654186236 /nfs/dbraw/zinc/18/62/36/654186236.db2.gz HOZSITUAWCRSQC-CABZTGNLSA-N 1 0 393.278 1.969 20 0 GDADRO CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000658372057 654186292 /nfs/dbraw/zinc/18/62/92/654186292.db2.gz IEQKUHIARGIJEF-JTQLQIEISA-N 1 0 387.811 1.502 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CCCO1 ZINC000658382429 654187993 /nfs/dbraw/zinc/18/79/93/654187993.db2.gz IJCIDJDBIMKOKN-NSHDSACASA-N 1 0 383.695 1.841 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658384738 654188379 /nfs/dbraw/zinc/18/83/79/654188379.db2.gz JCRYJYOMGCSGBO-OAHLLOKOSA-N 1 0 386.539 1.490 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC[C@H]1F ZINC000658407849 654191280 /nfs/dbraw/zinc/19/12/80/654191280.db2.gz JJLLYYXRTDMWOA-VXGBXAGGSA-N 1 0 383.367 1.039 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000658568141 654201304 /nfs/dbraw/zinc/20/13/04/654201304.db2.gz IJPQJRSTEPCJNG-UHFFFAOYSA-N 1 0 389.283 1.410 20 0 GDADRO CCN(C(=O)C(=O)N(C)Cc1ccccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000658806389 654206255 /nfs/dbraw/zinc/20/62/55/654206255.db2.gz FKFWJYARINMNSI-AWEZNQCLSA-N 1 0 382.302 1.960 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC([NH3+])CC2)c(Cl)cc1Br ZINC000659074470 654215140 /nfs/dbraw/zinc/21/51/40/654215140.db2.gz IUZATHZJJCMHLW-UHFFFAOYSA-N 1 0 390.665 1.999 20 0 GDADRO COc1cc(Br)c(CNC(=O)[C@@H]([NH3+])COC(C)C)cc1OC ZINC000659272504 654219667 /nfs/dbraw/zinc/21/96/67/654219667.db2.gz MUVURIRQVJWZHJ-LBPRGKRZSA-N 1 0 375.263 1.835 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1 ZINC000659299607 654220748 /nfs/dbraw/zinc/22/07/48/654220748.db2.gz IORHFGVEMSXXEG-AWEZNQCLSA-N 1 0 393.285 1.340 20 0 GDADRO O=C(CNC(=O)c1cc(-c2cccc(Br)c2)no1)N1CC[NH2+]CC1 ZINC000659302723 654221478 /nfs/dbraw/zinc/22/14/78/654221478.db2.gz IRUCALUBCMPQMT-UHFFFAOYSA-N 1 0 393.241 1.266 20 0 GDADRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659337015 654223713 /nfs/dbraw/zinc/22/37/13/654223713.db2.gz UOSZUZIQPRFCGE-KGLIPLIRSA-N 1 0 397.317 1.988 20 0 GDADRO [NH3+]CCn1cc(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)nn1 ZINC000659358254 654224111 /nfs/dbraw/zinc/22/41/11/654224111.db2.gz GWBQZEWIVSLRIP-AWEZNQCLSA-N 1 0 380.246 1.213 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC ZINC000659643103 654230761 /nfs/dbraw/zinc/23/07/61/654230761.db2.gz NOVSZEBWDAGTSS-NWDGAFQWSA-N 1 0 388.306 1.516 20 0 GDADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000660152311 654241591 /nfs/dbraw/zinc/24/15/91/654241591.db2.gz XYVOPQKQSUEEAH-UHFFFAOYSA-N 1 0 385.917 1.839 20 0 GDADRO CS(=O)(=O)c1ccc(-c2nc(CNC3(CO)CC[NH2+]CC3)cs2)cc1 ZINC000662286830 654291960 /nfs/dbraw/zinc/29/19/60/654291960.db2.gz MRQGWCQNOTVYSY-UHFFFAOYSA-N 1 0 381.523 1.418 20 0 GDADRO O=C1NCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1cccc(Br)c1 ZINC000662279549 654292054 /nfs/dbraw/zinc/29/20/54/654292054.db2.gz UZCJVTSYVNXAPC-LSDHHAIUSA-N 1 0 380.286 1.443 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662464170 654294078 /nfs/dbraw/zinc/29/40/78/654294078.db2.gz FCCJXQFPUOGXBN-CYBMUJFWSA-N 1 0 399.822 1.277 20 0 GDADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000662472651 654295271 /nfs/dbraw/zinc/29/52/71/654295271.db2.gz QHDDJGCTXYXOMJ-UKRRQHHQSA-N 1 0 386.279 1.642 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000662483055 654296615 /nfs/dbraw/zinc/29/66/15/654296615.db2.gz IEXLSRDOLNUURK-FZMZJTMJSA-N 1 0 386.279 1.642 20 0 GDADRO C[C@H](C(=O)N(C)CC(C)(C)[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000662605014 654297539 /nfs/dbraw/zinc/29/75/39/654297539.db2.gz JLQWJTHIULFYCG-SECBINFHSA-N 1 0 382.258 1.629 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662608270 654298100 /nfs/dbraw/zinc/29/81/00/654298100.db2.gz XEPBDNSQLHDZJG-UHFFFAOYSA-N 1 0 377.304 1.970 20 0 GDADRO CC1(C)CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)c2cc(Br)ccc21 ZINC000662691058 654300168 /nfs/dbraw/zinc/30/01/68/654300168.db2.gz DXHODQYJWIEVPV-CYBMUJFWSA-N 1 0 380.286 1.942 20 0 GDADRO [NH3+]CCn1cc(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000662691785 654300175 /nfs/dbraw/zinc/30/01/75/654300175.db2.gz KKEHCDQONJRCSP-GFCCVEGCSA-N 1 0 393.289 1.256 20 0 GDADRO [NH3+]C1(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC000662863086 654312163 /nfs/dbraw/zinc/31/21/63/654312163.db2.gz KDOKORJGEUWHHZ-UHFFFAOYSA-N 1 0 390.303 1.115 20 0 GDADRO C[C@@]1(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC[NH2+]C1 ZINC000663011951 654318735 /nfs/dbraw/zinc/31/87/35/654318735.db2.gz RKWQPANGKXWZPD-CQSZACIVSA-N 1 0 375.288 1.232 20 0 GDADRO C[C@H]1CN(c2nnc3ccc(Br)cn32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000663755924 654351832 /nfs/dbraw/zinc/35/18/32/654351832.db2.gz KLTFLGWANWJIJC-ZFWWWQNUSA-N 1 0 393.333 1.954 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000663770715 654353209 /nfs/dbraw/zinc/35/32/09/654353209.db2.gz UFSGFDJQNOUHBU-UHFFFAOYSA-N 1 0 383.290 1.382 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc(F)c1Br ZINC000663884307 654358822 /nfs/dbraw/zinc/35/88/22/654358822.db2.gz VMNKVLHTKHOSTO-MFKMUULPSA-N 1 0 384.249 1.998 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCC[C@@H](C)[NH+](C)C)c(C)s1 ZINC000664496732 654382614 /nfs/dbraw/zinc/38/26/14/654382614.db2.gz MOMVBWBRFPBDQO-LLVKDONJSA-N 1 0 376.548 1.283 20 0 GDADRO CS(=O)(=O)CCCCCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664710511 654389195 /nfs/dbraw/zinc/38/91/95/654389195.db2.gz SWKKOIKLNQAWPD-MRXNPFEDSA-N 1 0 375.535 1.098 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC000665490077 654408787 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C[NH+]1CCC2(CCN2C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000771737894 654545600 /nfs/dbraw/zinc/54/56/00/654545600.db2.gz UPZYMPARAGCQHI-UHFFFAOYSA-N 1 0 380.286 1.876 20 0 GDADRO O=C(C[NH2+][C@@H](CCO)C1CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000771801516 654548499 /nfs/dbraw/zinc/54/84/99/654548499.db2.gz SKMRTCMAMKTNDU-HOCLYGCPSA-N 1 0 386.539 1.014 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1 ZINC000672389246 654557673 /nfs/dbraw/zinc/55/76/73/654557673.db2.gz YOLUVMIHJFXWKR-UHFFFAOYSA-N 1 0 391.559 1.337 20 0 GDADRO COc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)sc1Br ZINC000673516565 654575730 /nfs/dbraw/zinc/57/57/30/654575730.db2.gz VSPNGAUHKOARIH-ZJUUUORDSA-N 1 0 375.288 1.800 20 0 GDADRO C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673513008 654575774 /nfs/dbraw/zinc/57/57/74/654575774.db2.gz MTLUBSVVPYOAFV-BFHYXJOUSA-N 1 0 383.286 1.884 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000673567142 654578883 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GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775177986 654659621 /nfs/dbraw/zinc/65/96/21/654659621.db2.gz ZIJSNWWXTGTSOR-SNPRPXQTSA-N 1 0 384.307 1.933 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000740824567 654673686 /nfs/dbraw/zinc/67/36/86/654673686.db2.gz PXKPEXAOLADRFW-ZDUSSCGKSA-N 1 0 387.933 1.499 20 0 GDADRO CS[C@H]1CN(C(=O)Cc2csc(-c3nc[nH]n3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000776210001 654684854 /nfs/dbraw/zinc/68/48/54/654684854.db2.gz BALPPNNKCJSQPT-STQMWFEESA-N 1 0 378.527 1.509 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=S)NCCNS(C)(=O)=O)[C@@H]1c1cccs1 ZINC000741500597 654689801 /nfs/dbraw/zinc/68/98/01/654689801.db2.gz ZPSFJKPGWXBZRC-GXTWGEPZSA-N 1 0 390.600 1.144 20 0 GDADRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(NS(C)(=O)=O)c1 ZINC000678583519 654691655 /nfs/dbraw/zinc/69/16/55/654691655.db2.gz UYMYSJXEDVTBKK-ZDUSSCGKSA-N 1 0 375.516 1.134 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cs1 ZINC000742295947 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GDADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805075721 655021707 /nfs/dbraw/zinc/02/17/07/655021707.db2.gz CLUWGYOBCAQURZ-UHFFFAOYSA-N 1 0 393.351 1.988 20 0 GDADRO CC1([NH+]2CCCCC2)CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000832247946 655022696 /nfs/dbraw/zinc/02/26/96/655022696.db2.gz AIJIZVOHQJUTHF-UHFFFAOYSA-N 1 0 385.555 1.893 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000789570806 655026094 /nfs/dbraw/zinc/02/60/94/655026094.db2.gz KAPBYCXQCRAGSA-VIFPVBQESA-N 1 0 383.246 1.144 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2OC)C1 ZINC000789572275 655026327 /nfs/dbraw/zinc/02/63/27/655026327.db2.gz OVZKPVFAOHFDNX-LLVKDONJSA-N 1 0 399.289 1.591 20 0 GDADRO CS[C@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000789706230 655031198 /nfs/dbraw/zinc/03/11/98/655031198.db2.gz PGIIZWJFANLQEI-GJZGRUSLSA-N 1 0 385.599 1.865 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000832452475 655031873 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COC(=O)c1cn(CC[NH2+]Cc2ccccc2I)nn1 ZINC000790622781 655052518 /nfs/dbraw/zinc/05/25/18/655052518.db2.gz DCFSFGABLPVPSO-UHFFFAOYSA-N 1 0 386.193 1.459 20 0 GDADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000790880818 655060468 /nfs/dbraw/zinc/06/04/68/655060468.db2.gz RHPOYZXDXZYFDJ-VIFPVBQESA-N 1 0 397.291 1.837 20 0 GDADRO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000834341365 655063926 /nfs/dbraw/zinc/06/39/26/655063926.db2.gz RVYBUGCWJLQWFF-SRFYIBEKSA-N 1 0 385.555 1.409 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000758536919 655064533 /nfs/dbraw/zinc/06/45/33/655064533.db2.gz BMEISZOEMJNZNH-NSHDSACASA-N 1 0 389.905 1.872 20 0 GDADRO COCC[NH2+]CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000834407933 655066328 /nfs/dbraw/zinc/06/63/28/655066328.db2.gz FTTKQFQFNZDLLU-UHFFFAOYSA-N 1 0 389.905 1.090 20 0 GDADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000806589482 655068674 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C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834878536 655082051 /nfs/dbraw/zinc/08/20/51/655082051.db2.gz DXURVZPNFIJAQX-STQMWFEESA-N 1 0 392.543 1.612 20 0 GDADRO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834906976 655082282 /nfs/dbraw/zinc/08/22/82/655082282.db2.gz VJHYHASCYFHUOW-WBMJQRKESA-N 1 0 390.527 1.224 20 0 GDADRO Cc1c(Br)c(Cl)ncc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000759359838 655082312 /nfs/dbraw/zinc/08/23/12/655082312.db2.gz MWGRMFRSCZAPRL-UHFFFAOYSA-N 1 0 389.681 1.955 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000835170912 655089839 /nfs/dbraw/zinc/08/98/39/655089839.db2.gz GMDKIBWNTYLLIK-QWRGUYRKSA-N 1 0 381.274 1.832 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)nc1Br ZINC000792952479 655102474 /nfs/dbraw/zinc/10/24/74/655102474.db2.gz INNCKPSCUJPDKV-NSHDSACASA-N 1 0 383.290 1.939 20 0 GDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C)c(Br)n2)C1 ZINC000792968682 655103445 /nfs/dbraw/zinc/10/34/45/655103445.db2.gz KORGANVKAJWNMR-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)nc1Br ZINC000792996731 655105400 /nfs/dbraw/zinc/10/54/00/655105400.db2.gz QXSBFQJTDBRKER-GFCCVEGCSA-N 1 0 379.258 1.564 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3cnc(Cl)n3C)CC2)CC1 ZINC000760434289 655112989 /nfs/dbraw/zinc/11/29/89/655112989.db2.gz LUWNIANAVGDRFG-UHFFFAOYSA-N 1 0 389.953 1.253 20 0 GDADRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000808727079 655113790 /nfs/dbraw/zinc/11/37/90/655113790.db2.gz VVAWVAIRAOSWQL-SOUVJXGZSA-N 1 0 378.535 1.718 20 0 GDADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000808790075 655114397 /nfs/dbraw/zinc/11/43/97/655114397.db2.gz AEEKGSHUTRNQGD-KKUMJFAQSA-N 1 0 375.535 1.646 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000760589897 655119171 /nfs/dbraw/zinc/11/91/71/655119171.db2.gz GKNPPICGKTZJGY-STQMWFEESA-N 1 0 390.937 1.638 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000760590629 655119462 /nfs/dbraw/zinc/11/94/62/655119462.db2.gz NOPSXJWBJIHOJB-NEPJUHHUSA-N 1 0 376.910 1.248 20 0 GDADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000793741542 655122809 /nfs/dbraw/zinc/12/28/09/655122809.db2.gz MAGBCCVUENDYKC-KFWWJZLASA-N 1 0 385.599 1.861 20 0 GDADRO Cc1cc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cnc1Cl ZINC000760677842 655123242 /nfs/dbraw/zinc/12/32/42/655123242.db2.gz IVZYGPDCSQHFPE-UHFFFAOYSA-N 1 0 383.905 1.720 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)C[C@H]1C ZINC000809526885 655131740 /nfs/dbraw/zinc/13/17/40/655131740.db2.gz UOKFCPNSAFTZET-DGADGQDISA-N 1 0 385.599 1.813 20 0 GDADRO CC(C)[C@H]([NH2+]C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)[C@H](O)C(F)(F)F ZINC000809561476 655133203 /nfs/dbraw/zinc/13/32/03/655133203.db2.gz YBIHLTBHGCUUJE-KKUMJFAQSA-N 1 0 383.432 1.835 20 0 GDADRO CCN(CCC[NH+](C)C)Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000809750454 655136290 /nfs/dbraw/zinc/13/62/90/655136290.db2.gz XCALJCPHPVXQFX-AWEZNQCLSA-N 1 0 376.954 1.978 20 0 GDADRO COCCS(=O)(=O)CCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000810008084 655145899 /nfs/dbraw/zinc/14/58/99/655145899.db2.gz ZEIPFMVVLHYOKC-DLBZAZTESA-N 1 0 376.469 1.751 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1 ZINC000810017751 655145908 /nfs/dbraw/zinc/14/59/08/655145908.db2.gz ITPAJYDEANJGEP-KRWDZBQOSA-N 1 0 377.526 1.567 20 0 GDADRO C[C@]1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000836584727 655148056 /nfs/dbraw/zinc/14/80/56/655148056.db2.gz FPEGDCMWGLFDQH-OAHLLOKOSA-N 1 0 377.316 1.520 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Br)nc1 ZINC000810239648 655154098 /nfs/dbraw/zinc/15/40/98/655154098.db2.gz FQHKDADTPFIPJX-WCQYABFASA-N 1 0 391.335 1.766 20 0 GDADRO Cn1nnc(Br)c1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000810404977 655159397 /nfs/dbraw/zinc/15/93/97/655159397.db2.gz KLHLAXGAPHEYKE-UHFFFAOYSA-N 1 0 379.262 1.367 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3c(Br)nnn3C)CC2)CC1 ZINC000810646673 655168816 /nfs/dbraw/zinc/16/88/16/655168816.db2.gz YKHVELNUWZGRFZ-UHFFFAOYSA-N 1 0 399.337 1.208 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000762578451 655170685 /nfs/dbraw/zinc/17/06/85/655170685.db2.gz WMRIUOVXRSGJJV-KBUPBQIOSA-N 1 0 386.587 1.253 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N(CCO)Cc2cccnc2Cl)cc1 ZINC000795327007 655171608 /nfs/dbraw/zinc/17/16/08/655171608.db2.gz BQTMRPYRDRIHCK-UHFFFAOYSA-N 1 0 383.901 1.980 20 0 GDADRO COCCN(CC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000763237540 655189394 /nfs/dbraw/zinc/18/93/94/655189394.db2.gz OEEXWYKEANWLPR-UONOGXRCSA-N 1 0 375.535 1.374 20 0 GDADRO C[C@H]1C[C@@H](C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC[N@@H+]1C ZINC000811489365 655198112 /nfs/dbraw/zinc/19/81/12/655198112.db2.gz BTWVHIKKTYQUTF-KBPBESRZSA-N 1 0 387.933 1.855 20 0 GDADRO C[C@H]1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC[N@@H+]1C ZINC000811493898 655198298 /nfs/dbraw/zinc/19/82/98/655198298.db2.gz NYNOFPHGRWRAIY-RYUDHWBXSA-N 1 0 375.441 1.090 20 0 GDADRO Cn1ncc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1I ZINC000838149861 655205990 /nfs/dbraw/zinc/20/59/90/655205990.db2.gz QCPHQLWDQFLVQT-SNVBAGLBSA-N 1 0 376.242 1.486 20 0 GDADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000812724288 655220294 /nfs/dbraw/zinc/22/02/94/655220294.db2.gz YYHFQFIGLIOPHL-KGLIPLIRSA-N 1 0 377.551 1.939 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000796828813 655222177 /nfs/dbraw/zinc/22/21/77/655222177.db2.gz WUIMKQBLDPRESW-LJISPDSOSA-N 1 0 378.535 1.718 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765035696 655227294 /nfs/dbraw/zinc/22/72/94/655227294.db2.gz VJRXEMXBQGYMMN-KRWDZBQOSA-N 1 0 375.535 1.649 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000797114398 655230619 /nfs/dbraw/zinc/23/06/19/655230619.db2.gz BYTCTVZKWYKFRY-CABCVRRESA-N 1 0 375.535 1.790 20 0 GDADRO CC(C)(C)OC(=O)NCC1(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000813334799 655235034 /nfs/dbraw/zinc/23/50/34/655235034.db2.gz YVLSDPLCEWPHQY-CQSZACIVSA-N 1 0 375.535 1.553 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCOC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765324172 655238127 /nfs/dbraw/zinc/23/81/27/655238127.db2.gz PFTKDEHNBITIKU-QWHCGFSZSA-N 1 0 376.500 1.099 20 0 GDADRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000839090192 655239223 /nfs/dbraw/zinc/23/92/23/655239223.db2.gz YSHYMWQPAAABNL-AWEZNQCLSA-N 1 0 375.535 1.647 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)c(F)cc1Br ZINC000813641914 655240259 /nfs/dbraw/zinc/24/02/59/655240259.db2.gz QCWPOYHOLDFFSX-UHFFFAOYSA-N 1 0 397.266 1.605 20 0 GDADRO CCC(O)(CC)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765471385 655241104 /nfs/dbraw/zinc/24/11/04/655241104.db2.gz CWFKCRWOMSPFPM-ZDUSSCGKSA-N 1 0 392.543 1.614 20 0 GDADRO Nc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl ZINC000839485074 655248840 /nfs/dbraw/zinc/24/88/40/655248840.db2.gz OSSFUDMIFXEITD-WDEREUQCSA-N 1 0 387.267 1.494 20 0 GDADRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765947267 655253759 /nfs/dbraw/zinc/25/37/59/655253759.db2.gz VUVLGVCOXQUZMB-CZUORRHYSA-N 1 0 392.543 1.614 20 0 GDADRO CCOC(=O)[C@@H]1[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)CCN1C(=O)OC(C)(C)C ZINC000798181734 655256228 /nfs/dbraw/zinc/25/62/28/655256228.db2.gz NWMQTYRKGVNQMH-WMJUZZJDSA-N 1 0 376.519 1.674 20 0 GDADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766189564 655261215 /nfs/dbraw/zinc/26/12/15/655261215.db2.gz ISONVCFDVYUBKI-KCQAQPDRSA-N 1 0 390.527 1.488 20 0 GDADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)ccc1S(=O)(=O)C(F)F ZINC000766438178 655266511 /nfs/dbraw/zinc/26/65/11/655266511.db2.gz PFGGYKIZRXPYNI-ZYHUDNBSSA-N 1 0 376.425 1.963 20 0 GDADRO Cn1ncc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1I ZINC000814799195 655274665 /nfs/dbraw/zinc/27/46/65/655274665.db2.gz YWCUGUVDIGYIOM-UHFFFAOYSA-N 1 0 397.220 1.382 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798945747 655281752 /nfs/dbraw/zinc/28/17/52/655281752.db2.gz NHLNRJXZKINONC-PBHICJAKSA-N 1 0 375.535 1.647 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798947071 655282075 /nfs/dbraw/zinc/28/20/75/655282075.db2.gz RJFRAEGVVCLSIA-QGZVFWFLSA-N 1 0 377.551 1.895 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cs1 ZINC000767052842 655283204 /nfs/dbraw/zinc/28/32/04/655283204.db2.gz IYXPMNYHIJJZTK-UHFFFAOYSA-N 1 0 386.495 1.051 20 0 GDADRO C[C@](O)(C[N@@H+]1CC[C@H](CO)[C@H](O)C1)c1ccc(Br)cc1Cl ZINC000815101276 655287226 /nfs/dbraw/zinc/28/72/26/655287226.db2.gz SYDVUHPECDTVSZ-KMUNFCNLSA-N 1 0 378.694 1.985 20 0 GDADRO COc1ccc(C[C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 ZINC000840724269 655294976 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C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000842726718 655373964 /nfs/dbraw/zinc/37/39/64/655373964.db2.gz MRHLPRWNDVWCGL-MNOVXSKESA-N 1 0 379.404 1.935 20 0 GDADRO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC000842734071 655374274 /nfs/dbraw/zinc/37/42/74/655374274.db2.gz FPNHCLQOMVCFIN-LLVKDONJSA-N 1 0 386.470 1.727 20 0 GDADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000842734683 655374374 /nfs/dbraw/zinc/37/43/74/655374374.db2.gz JTWOXNRFJXOBEK-SNVBAGLBSA-N 1 0 381.267 1.969 20 0 GDADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000842741030 655374639 /nfs/dbraw/zinc/37/46/39/655374639.db2.gz AFEYUCCDABMXDM-UHFFFAOYSA-N 1 0 378.491 1.382 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2Br)CCO1 ZINC000842744015 655374722 /nfs/dbraw/zinc/37/47/22/655374722.db2.gz NENJYWHAHJSPTK-YYZHOMROSA-N 1 0 375.288 1.798 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000842744354 655374824 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1.664 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000842788969 655376997 /nfs/dbraw/zinc/37/69/97/655376997.db2.gz NPGOUKQCOUWTLX-YUMQZZPRSA-N 1 0 397.316 1.655 20 0 GDADRO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N[C@@H](C)CC[NH3+])cc21 ZINC000842790606 655377149 /nfs/dbraw/zinc/37/71/49/655377149.db2.gz KRPMZKBJQANQPG-VIFPVBQESA-N 1 0 390.303 1.374 20 0 GDADRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000842803095 655378265 /nfs/dbraw/zinc/37/82/65/655378265.db2.gz GHHGHZIQKOLLNV-IAQYHMDHSA-N 1 0 378.491 1.415 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(Br)o1 ZINC000842814657 655378902 /nfs/dbraw/zinc/37/89/02/655378902.db2.gz KRLPAMSEERBSPP-SFYZADRCSA-N 1 0 381.248 1.248 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)ccc1Br ZINC000842832312 655380146 /nfs/dbraw/zinc/38/01/46/655380146.db2.gz SAFATMJOFSVSJB-SNVBAGLBSA-N 1 0 391.287 1.656 20 0 GDADRO Cc1ccc(/C=C\S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000842851237 655380838 /nfs/dbraw/zinc/38/08/38/655380838.db2.gz DGWYGKBOBCSTMM-FTXNUJCXSA-N 1 0 377.432 1.721 20 0 GDADRO O=S(=O)(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C(F)F)c1 ZINC000842853183 655380991 /nfs/dbraw/zinc/38/09/91/655380991.db2.gz URZWTCSMXGBPPK-GFCCVEGCSA-N 1 0 387.374 1.739 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1F ZINC000842863834 655381548 /nfs/dbraw/zinc/38/15/48/655381548.db2.gz NOJABAOFBYVKQA-XYPYZODXSA-N 1 0 376.425 1.795 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000842882040 655382311 /nfs/dbraw/zinc/38/23/11/655382311.db2.gz NVUCUNNNXLJSND-GHMZBOCLSA-N 1 0 397.950 1.385 20 0 GDADRO C[C@@H]1CN([C@H](C[NH2+]CCS(C)(=O)=O)c2c(F)cccc2Cl)CCO1 ZINC000818957397 655382437 /nfs/dbraw/zinc/38/24/37/655382437.db2.gz RVEYVGROMNRSAI-IUODEOHRSA-N 1 0 378.897 1.875 20 0 GDADRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000842883313 655382476 /nfs/dbraw/zinc/38/24/76/655382476.db2.gz LVRPUJOEVYOASJ-ZETCQYMHSA-N 1 0 399.694 1.905 20 0 GDADRO CS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000818990638 655382838 /nfs/dbraw/zinc/38/28/38/655382838.db2.gz KXOVJRHYPYUNAI-HNNXBMFYSA-N 1 0 391.331 1.744 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1)C(F)(F)F ZINC000842896135 655383493 /nfs/dbraw/zinc/38/34/93/655383493.db2.gz UBIZOIVDRZISGK-LLVKDONJSA-N 1 0 379.404 1.998 20 0 GDADRO CCNS(=O)(=O)CC[NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000819042787 655383719 /nfs/dbraw/zinc/38/37/19/655383719.db2.gz MAKCQWYOXXYWTL-UHFFFAOYSA-N 1 0 393.893 1.215 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(F)cc1Cl)NC[C@@H]1CCCCO1 ZINC000819052884 655384087 /nfs/dbraw/zinc/38/40/87/655384087.db2.gz GMIRNTYEHDPWMX-BBRMVZONSA-N 1 0 394.896 1.591 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]C[C@H](O)c2ccc(F)cn2)CC1)C(F)(F)F ZINC000819054291 655384149 /nfs/dbraw/zinc/38/41/49/655384149.db2.gz KHXGBKMGJFGTCY-ZDUSSCGKSA-N 1 0 385.383 1.405 20 0 GDADRO Cn1cc(S(=O)(=O)NCCCCCC[NH3+])cc1C(=O)NCC(F)(F)F ZINC000842920943 655384371 /nfs/dbraw/zinc/38/43/71/655384371.db2.gz UAIOOBQMTBHJFY-UHFFFAOYSA-N 1 0 384.424 1.115 20 0 GDADRO [NH3+]CCCCCCNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000842921955 655384627 /nfs/dbraw/zinc/38/46/27/655384627.db2.gz MIPCLLSOBLSBKI-UHFFFAOYSA-N 1 0 381.420 1.776 20 0 GDADRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(C)(C)C ZINC000819076201 655384758 /nfs/dbraw/zinc/38/47/58/655384758.db2.gz VDPAKHPUKFRRGB-CQSZACIVSA-N 1 0 390.571 1.982 20 0 GDADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)C2=O)cn1 ZINC000819080556 655384834 /nfs/dbraw/zinc/38/48/34/655384834.db2.gz GXEVZHREYFMXJN-HUUCEWRRSA-N 1 0 397.248 1.750 20 0 GDADRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000842927297 655385054 /nfs/dbraw/zinc/38/50/54/655385054.db2.gz FETDIIWCEHWVDO-MBNYWOFBSA-N 1 0 376.500 1.240 20 0 GDADRO COCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)CC2 ZINC000819152757 655387000 /nfs/dbraw/zinc/38/70/00/655387000.db2.gz AZEBNKYFIXFGKE-RISCZKNCSA-N 1 0 399.264 1.964 20 0 GDADRO COCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)CC2 ZINC000819154211 655387152 /nfs/dbraw/zinc/38/71/52/655387152.db2.gz PJPHJMKCDZSFDA-ZIAGYGMSSA-N 1 0 381.274 1.825 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2nc3ccccn3c2Br)C1 ZINC000843048011 655387282 /nfs/dbraw/zinc/38/72/82/655387282.db2.gz IYANSNVRILOHKN-LBPRGKRZSA-N 1 0 380.290 1.384 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000819187287 655387948 /nfs/dbraw/zinc/38/79/48/655387948.db2.gz GVFGHQKUSZJQNR-SMDDNHRTSA-N 1 0 377.304 1.354 20 0 GDADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)CCO2 ZINC000819210435 655388208 /nfs/dbraw/zinc/38/82/08/655388208.db2.gz VXFQBSFNMZLWJM-WQVCFCJDSA-N 1 0 377.865 1.838 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000843113282 655388785 /nfs/dbraw/zinc/38/87/85/655388785.db2.gz RAYVUCQVFCBGNF-ZDUSSCGKSA-N 1 0 378.288 1.012 20 0 GDADRO [NH3+]CCc1noc(CCCN2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000843130689 655389121 /nfs/dbraw/zinc/38/91/21/655389121.db2.gz QWCODPOFNMJXTE-UHFFFAOYSA-N 1 0 379.214 1.562 20 0 GDADRO CS(=O)(=O)c1ccc(-c2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)s1 ZINC000843242285 655390204 /nfs/dbraw/zinc/39/02/04/655390204.db2.gz LWIFWLPZIRHRIQ-UHFFFAOYSA-N 1 0 380.455 1.385 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]CCS(=O)(=O)C2CC2)CC1 ZINC000819368239 655390663 /nfs/dbraw/zinc/39/06/63/655390663.db2.gz DZZGTNLUHDEWDO-HNNXBMFYSA-N 1 0 376.519 1.161 20 0 GDADRO C[C@H](CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])NS(=O)(=O)c1cccnc1Cl ZINC000843346364 655393192 /nfs/dbraw/zinc/39/31/92/655393192.db2.gz DCMQRKDHDHDMEX-UPJWGTAASA-N 1 0 388.921 1.426 20 0 GDADRO CNS(=O)(=O)c1ccc(NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)cc1 ZINC000843365489 655393717 /nfs/dbraw/zinc/39/37/17/655393717.db2.gz MMHMUNFCRLJVHO-AWEZNQCLSA-N 1 0 382.873 1.980 20 0 GDADRO CC[C@H]1CN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC[C@@H]1[NH3+] ZINC000843376576 655393955 /nfs/dbraw/zinc/39/39/55/655393955.db2.gz BOSDTGCNZAFVCL-RYUDHWBXSA-N 1 0 375.441 1.681 20 0 GDADRO O=C(CN1CC[NH2+]C[C@H]1C(F)F)Nc1ccccc1S(=O)(=O)C(F)F ZINC000843385310 655394015 /nfs/dbraw/zinc/39/40/15/655394015.db2.gz JJPQCLLIUPTHJA-JTQLQIEISA-N 1 0 383.367 1.160 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)NCCNC(=O)c1ccc(Br)cc1 ZINC000843397635 655394261 /nfs/dbraw/zinc/39/42/61/655394261.db2.gz VYBFSNJSWVOYIN-AWEZNQCLSA-N 1 0 384.274 1.064 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@H](CC[NH3+])C1)NS(=O)(=O)c1cccnc1Cl ZINC000843473369 655395966 /nfs/dbraw/zinc/39/59/66/655395966.db2.gz JTBVGNKHAIQPIW-CHWSQXEVSA-N 1 0 388.921 1.379 20 0 GDADRO C[C@@H](CC(=O)N1CCC[C@H](CC[NH3+])C1)NS(=O)(=O)c1cccnc1Cl ZINC000843473375 655395991 /nfs/dbraw/zinc/39/59/91/655395991.db2.gz JTBVGNKHAIQPIW-QWHCGFSZSA-N 1 0 388.921 1.379 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000843477925 655396292 /nfs/dbraw/zinc/39/62/92/655396292.db2.gz CCWARWIQJDACEX-SNVBAGLBSA-N 1 0 375.441 1.653 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000843482843 655396426 /nfs/dbraw/zinc/39/64/26/655396426.db2.gz LLNCQTSJIBJCJV-SNVBAGLBSA-N 1 0 392.319 1.557 20 0 GDADRO Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NCCCCCC[NH3+])cn1 ZINC000844201192 655408548 /nfs/dbraw/zinc/40/85/48/655408548.db2.gz NGWRVEQDLAFPOA-UHFFFAOYSA-N 1 0 385.515 1.531 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(N)nc(Br)c2)C1 ZINC000820521501 655411075 /nfs/dbraw/zinc/41/10/75/655411075.db2.gz VOLIXQSEBSKJCL-ZDUSSCGKSA-N 1 0 385.306 1.999 20 0 GDADRO C[NH+](C)CCN1CCN(C(=S)Nc2ccc(Br)cc2)CC1=O ZINC000844569792 655411347 /nfs/dbraw/zinc/41/13/47/655411347.db2.gz OUEPNYBIJNHTOV-UHFFFAOYSA-N 1 0 385.331 1.852 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C3(n4cc(Br)cn4)CC3)[C@H]2C1 ZINC000820592570 655412363 /nfs/dbraw/zinc/41/23/63/655412363.db2.gz JRZKBQHQLJCECK-UONOGXRCSA-N 1 0 383.290 1.456 20 0 GDADRO CN(C)c1nc(Cl)c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)s1 ZINC000820632919 655413360 /nfs/dbraw/zinc/41/33/60/655413360.db2.gz SRYLGLHTPHXDEG-NSHDSACASA-N 1 0 385.921 1.287 20 0 GDADRO C[NH+](C)CCn1c2cc(C(=O)NC[C@H]3CSCCS3)ccc2[nH]c1=O ZINC000820700068 655413987 /nfs/dbraw/zinc/41/39/87/655413987.db2.gz COBSMWHRCMKMOH-ZDUSSCGKSA-N 1 0 380.539 1.882 20 0 GDADRO COC(=O)[C@H]1[C@H](C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)C1(F)F ZINC000820874231 655418455 /nfs/dbraw/zinc/41/84/55/655418455.db2.gz FWTUUSNCIBLPDD-CMPLNLGQSA-N 1 0 382.454 1.287 20 0 GDADRO COc1cc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)cc(Br)c1O ZINC000844917294 655421014 /nfs/dbraw/zinc/42/10/14/655421014.db2.gz QPUPQPUAFWXEOM-VFZGTOFNSA-N 1 0 382.214 1.701 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000821273236 655425619 /nfs/dbraw/zinc/42/56/19/655425619.db2.gz ZIKLNZIRQYNRIQ-UHFFFAOYSA-N 1 0 396.289 1.457 20 0 GDADRO Brc1ncn(CC[NH2+][C@@H](CN2CCOCC2)c2ccccc2)n1 ZINC000821402903 655429193 /nfs/dbraw/zinc/42/91/93/655429193.db2.gz XUKBCSVBAGUKKD-HNNXBMFYSA-N 1 0 380.290 1.704 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000821895625 655436777 /nfs/dbraw/zinc/43/67/77/655436777.db2.gz WDCHBLMHSUGMQY-FDYHWXHSSA-N 1 0 379.448 1.339 20 0 GDADRO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1cn2cc(Br)ncc2n1 ZINC000822033229 655439802 /nfs/dbraw/zinc/43/98/02/655439802.db2.gz RENZPOLFVAGIHV-UHFFFAOYSA-N 1 0 382.262 1.789 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(=O)n(C)cc2Br)CC1 ZINC000822046265 655439884 /nfs/dbraw/zinc/43/98/84/655439884.db2.gz CSSSNEWDFNCKFD-UHFFFAOYSA-N 1 0 399.333 1.294 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)C[C@H]1C[NH3+] ZINC000846232618 655450253 /nfs/dbraw/zinc/45/02/53/655450253.db2.gz UKLDFVCBQRSLMX-BXKDBHETSA-N 1 0 375.903 1.934 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846255582 655451033 /nfs/dbraw/zinc/45/10/33/655451033.db2.gz IVJCGHKIUDJUGI-IRXDYDNUSA-N 1 0 377.888 1.377 20 0 GDADRO COc1nc(Br)ccc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000822907145 655453507 /nfs/dbraw/zinc/45/35/07/655453507.db2.gz ZFVDAYPDCDVHOH-UHFFFAOYSA-N 1 0 388.310 1.858 20 0 GDADRO COc1ccc(Cc2noc(C[C@@H](C[NH3+])OC)n2)c(Br)c1OC ZINC000822947560 655454246 /nfs/dbraw/zinc/45/42/46/655454246.db2.gz UPWAHJVOQFFKEU-JTQLQIEISA-N 1 0 386.246 1.956 20 0 GDADRO CCO[C@@H]1CN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)C[C@H]1C[NH3+] ZINC000846697021 655458915 /nfs/dbraw/zinc/45/89/15/655458915.db2.gz WQXGIFPGLABWMI-ZIAGYGMSSA-N 1 0 376.425 1.260 20 0 GDADRO O=C1COc2cc(Br)ccc2N1Cc1nc(N2CC[NH2+]CC2)no1 ZINC000823315841 655460215 /nfs/dbraw/zinc/46/02/15/655460215.db2.gz PGBXNTAVPIEEJX-UHFFFAOYSA-N 1 0 394.229 1.167 20 0 GDADRO O=C1[C@@H](c2nc(N3CC[NH2+]CC3)no2)CCN1c1cccc(Br)c1 ZINC000823315387 655460217 /nfs/dbraw/zinc/46/02/17/655460217.db2.gz LWUPOJWETNDJFB-CYBMUJFWSA-N 1 0 392.257 1.762 20 0 GDADRO O=C(NCCc1nc(N2CC[NH2+]CC2)no1)c1cc(F)ccc1Br ZINC000823321030 655460385 /nfs/dbraw/zinc/46/03/85/655460385.db2.gz QRBYBDQRGYQTEF-UHFFFAOYSA-N 1 0 398.236 1.353 20 0 GDADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000823394960 655462119 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GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000825189306 655485435 /nfs/dbraw/zinc/48/54/35/655485435.db2.gz ZZBWHYMHCDHEOH-OCCSQVGLSA-N 1 0 385.917 1.982 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1Br ZINC000825196300 655485537 /nfs/dbraw/zinc/48/55/37/655485537.db2.gz CODWBERUHZHNOB-ONGXEEELSA-N 1 0 375.288 1.710 20 0 GDADRO COc1cc(/C=C/C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc(Br)c1O ZINC000848308130 655487052 /nfs/dbraw/zinc/48/70/52/655487052.db2.gz YTNMKYDEKZYGMI-OUDYMMNNSA-N 1 0 397.269 1.454 20 0 GDADRO Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H](C[NH3+])C(F)(F)F)cs1 ZINC000848436914 655489848 /nfs/dbraw/zinc/48/98/48/655489848.db2.gz BFRHSRVKWJNOGU-SNVBAGLBSA-N 1 0 376.360 1.845 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000848438531 655489999 /nfs/dbraw/zinc/48/99/99/655489999.db2.gz KATVBMICZSLSTH-VIFPVBQESA-N 1 0 389.193 1.472 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000848438282 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385.258 1.715 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cnn(-c2ccccc2)c1Br ZINC000852795310 655622695 /nfs/dbraw/zinc/62/26/95/655622695.db2.gz GJFBXRHJVUOQRO-UHFFFAOYSA-N 1 0 392.301 1.612 20 0 GDADRO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CCc2cccnc2Cl)c1 ZINC000852794640 655622723 /nfs/dbraw/zinc/62/27/23/655622723.db2.gz RVIKWHFXGFZJNY-UHFFFAOYSA-N 1 0 382.873 1.543 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)=NO1 ZINC000852819828 655623514 /nfs/dbraw/zinc/62/35/14/655623514.db2.gz HQBOLYYZEJWRDT-CYBMUJFWSA-N 1 0 382.258 1.675 20 0 GDADRO Cn1nc(Br)c2c1ncnc2NCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000852835371 655623877 /nfs/dbraw/zinc/62/38/77/655623877.db2.gz LZYFTEVJBTUHBN-SNVBAGLBSA-N 1 0 396.293 1.042 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000852859143 655624297 /nfs/dbraw/zinc/62/42/97/655624297.db2.gz QHPJJLTXHXOFJH-UHFFFAOYSA-N 1 0 376.507 1.878 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)c1ccc2ncc(I)n2c1 ZINC000852865553 655624564 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C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)Cn2cnnn2)C1 ZINC000857883447 655742847 /nfs/dbraw/zinc/74/28/47/655742847.db2.gz VCOBIPCCJPZIFS-CYBMUJFWSA-N 1 0 379.262 1.345 20 0 GDADRO COC(=O)C1CC[NH+](CCCNC(=O)c2c(Cl)nn(C)c2Cl)CC1 ZINC000858497434 655748741 /nfs/dbraw/zinc/74/87/41/655748741.db2.gz GAOOIZKIIBJFGT-UHFFFAOYSA-N 1 0 377.272 1.732 20 0 GDADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000858611264 655750237 /nfs/dbraw/zinc/75/02/37/655750237.db2.gz OPBPFEDGIFHZAZ-LLVKDONJSA-N 1 0 379.404 1.937 20 0 GDADRO C[C@]12CCN(c3nc(N)[nH+]c(N)n3)C[C@H]1C2(Br)Br ZINC000858622434 655750831 /nfs/dbraw/zinc/75/08/31/655750831.db2.gz UQGSCWXLYBRLOV-ANLVUFKYSA-N 1 0 378.072 1.368 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cnc1Cl ZINC000858624397 655751048 /nfs/dbraw/zinc/75/10/48/655751048.db2.gz GTWIHLIETMIZBF-PSASIEDQSA-N 1 0 387.811 1.891 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000858624148 655751062 /nfs/dbraw/zinc/75/10/62/655751062.db2.gz DEXULJQMUQQZBB-UHFFFAOYSA-N 1 0 376.425 1.731 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858877605 655754435 /nfs/dbraw/zinc/75/44/35/655754435.db2.gz WVKJMRNCCXYAMD-GFCCVEGCSA-N 1 0 379.404 1.950 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)nc2F)C[C@H]1[NH+](C)C ZINC000859084493 655762500 /nfs/dbraw/zinc/76/25/00/655762500.db2.gz FLDWBMSYBSJTCZ-RKDXNWHRSA-N 1 0 398.323 1.649 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)CCO1 ZINC000859572625 655787471 /nfs/dbraw/zinc/78/74/71/655787471.db2.gz SDFQLTOBCTWWEJ-ACJLOTCBSA-N 1 0 397.313 1.506 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2c(Cl)nn(C)c2Cl)CC1 ZINC000860009068 655793251 /nfs/dbraw/zinc/79/32/51/655793251.db2.gz KXKXAXGQCWRHTK-UHFFFAOYSA-N 1 0 377.272 1.873 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000860193206 655796302 /nfs/dbraw/zinc/79/63/02/655796302.db2.gz DIWBNDKYUBKUBH-LSDHHAIUSA-N 1 0 375.535 1.505 20 0 GDADRO CC[NH+](CC)CCOC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000860227907 655797328 /nfs/dbraw/zinc/79/73/28/655797328.db2.gz MHDWBIQPQMNCER-UHFFFAOYSA-N 1 0 379.276 1.595 20 0 GDADRO C[C@@H](C(=O)OCC[NH+]1CCC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000861386136 655820744 /nfs/dbraw/zinc/82/07/44/655820744.db2.gz MFJRQXXLTSOVRH-JTQLQIEISA-N 1 0 381.226 1.683 20 0 GDADRO CN(CCOCC[NH3+])C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000861525926 655824611 /nfs/dbraw/zinc/82/46/11/655824611.db2.gz GPLJBWFTHFCQIZ-UHFFFAOYSA-N 1 0 394.269 1.975 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000861541823 655825382 /nfs/dbraw/zinc/82/53/82/655825382.db2.gz GYCCQKOYHLDGKB-NSHDSACASA-N 1 0 394.273 1.438 20 0 GDADRO Cc1ncc(CCNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000861733245 655829358 /nfs/dbraw/zinc/82/93/58/655829358.db2.gz VCSSIVORWMQLOV-ZYHUDNBSSA-N 1 0 378.420 1.096 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000861786627 655830617 /nfs/dbraw/zinc/83/06/17/655830617.db2.gz YZMFFQVJJLSFPW-SECBINFHSA-N 1 0 378.217 1.463 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000862033110 655837059 /nfs/dbraw/zinc/83/70/59/655837059.db2.gz ZQPHPGYFPVKFKC-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000862550956 655847193 /nfs/dbraw/zinc/84/71/93/655847193.db2.gz HTBZEBSBHSEASO-CQSZACIVSA-N 1 0 375.535 1.553 20 0 GDADRO NC(=O)C[C@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)CCO1 ZINC000863327143 655866253 /nfs/dbraw/zinc/86/62/53/655866253.db2.gz XNGKUVJSCFIMRC-NSHDSACASA-N 1 0 380.242 1.298 20 0 GDADRO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]CCS(=O)(=O)CC2CC2)CC1 ZINC000863552685 655875585 /nfs/dbraw/zinc/87/55/85/655875585.db2.gz WBAQYLTVQLQHNS-UHFFFAOYSA-N 1 0 375.531 1.664 20 0 GDADRO C[C@@H]([NH3+])CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000863567247 655875927 /nfs/dbraw/zinc/87/59/27/655875927.db2.gz UOMWPTNPXPDOGH-MNOVXSKESA-N 1 0 376.910 1.196 20 0 GDADRO CCC[NH+]1CCC(NC(=O)c2cc(I)nn2C)CC1 ZINC000864581365 655902711 /nfs/dbraw/zinc/90/27/11/655902711.db2.gz ZUFVCMBBTUPCAE-UHFFFAOYSA-N 1 0 376.242 1.629 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000864863961 655907380 /nfs/dbraw/zinc/90/73/80/655907380.db2.gz SOANJBYMFBACBI-UHFFFAOYSA-N 1 0 394.317 1.854 20 0 GDADRO C[C@@H](CNC(=O)c1cc(I)nn1C)[NH+]1CCCCC1 ZINC000864955449 655908936 /nfs/dbraw/zinc/90/89/36/655908936.db2.gz OEWZWMOXCCBWCM-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000865212531 655914750 /nfs/dbraw/zinc/91/47/50/655914750.db2.gz MIQDUAQHYLCHLC-AWEZNQCLSA-N 1 0 377.388 1.562 20 0 GDADRO C[NH+](C)CCNC(=S)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000865242117 655915117 /nfs/dbraw/zinc/91/51/17/655915117.db2.gz IQZKQQVSJKBZMA-UHFFFAOYSA-N 1 0 399.358 1.529 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cc(Br)cnc1OC ZINC000865413400 655919347 /nfs/dbraw/zinc/91/93/47/655919347.db2.gz GYFUFBVRNMQASE-UHFFFAOYSA-N 1 0 380.308 1.614 20 0 GDADRO NS(=O)(=O)c1cc(Br)ccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000865485438 655920545 /nfs/dbraw/zinc/92/05/45/655920545.db2.gz RIKHJSUMXHBROZ-NWDGAFQWSA-N 1 0 390.303 1.372 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CC(NS(C)(=O)=O)C1)CC(F)(F)F ZINC000865559933 655921853 /nfs/dbraw/zinc/92/18/53/655921853.db2.gz ZDMDIYOYTGLERC-VQXHTEKXSA-N 1 0 389.440 1.502 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(CO)c(Br)n2)CC1 ZINC000865620011 655923088 /nfs/dbraw/zinc/92/30/88/655923088.db2.gz YMVOTUZTAXJIJE-ZDUSSCGKSA-N 1 0 383.290 1.079 20 0 GDADRO CS[C@H]1CN(c2ccc(Br)cc2S(N)(=O)=O)C[C@H]1[NH+](C)C ZINC000865645369 655923419 /nfs/dbraw/zinc/92/34/19/655923419.db2.gz YZSWJMWTHPRDRC-NEPJUHHUSA-N 1 0 394.360 1.578 20 0 GDADRO C[C@@H]1CN(c2ccc(CO)c(Br)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000865649230 655923529 /nfs/dbraw/zinc/92/35/29/655923529.db2.gz PJPNXBWCIIHLBU-HIFRSBDPSA-N 1 0 383.334 1.799 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865691634 655924343 /nfs/dbraw/zinc/92/43/43/655924343.db2.gz CUQYERZEFFZWKD-RNUZFXTQSA-N 1 0 385.917 1.718 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]Cc3cc(Br)c4c(c3)OCCO4)COCCN12 ZINC000865769082 655926074 /nfs/dbraw/zinc/92/60/74/655926074.db2.gz TUTUWVLDKZHCLS-MRXNPFEDSA-N 1 0 399.241 1.531 20 0 GDADRO O=C1COC[C@]2(C[NH2+]Cc3c(Cl)nc4cc(Cl)ccn43)COCCN12 ZINC000865796336 655927080 /nfs/dbraw/zinc/92/70/80/655927080.db2.gz RVPAZBGUGSBYNJ-INIZCTEOSA-N 1 0 385.251 1.359 20 0 GDADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Br)no1 ZINC000865901142 655929470 /nfs/dbraw/zinc/92/94/70/655929470.db2.gz MPDRPCCKMZERLL-CYBMUJFWSA-N 1 0 380.242 1.586 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cnn(C)c1Br ZINC000866422986 655941978 /nfs/dbraw/zinc/94/19/78/655941978.db2.gz UXMHRMBCGCHSJP-NSHDSACASA-N 1 0 379.324 1.725 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)NCCNc1ccc(C(F)(F)F)cn1 ZINC000866473599 655945455 /nfs/dbraw/zinc/94/54/55/655945455.db2.gz OOTZUXOSLQGREC-UHFFFAOYSA-N 1 0 380.436 1.918 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cn(C)nc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000866498567 655947493 /nfs/dbraw/zinc/94/74/93/655947493.db2.gz ZSLQEZTYROTQRF-WDEREUQCSA-N 1 0 379.324 1.581 20 0 GDADRO C[S@](=O)(=NS(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1F ZINC000866502480 655947585 /nfs/dbraw/zinc/94/75/85/655947585.db2.gz GMZXGAJMSOYBBC-GJDIJTJZSA-N 1 0 375.491 1.744 20 0 GDADRO C[C@H](CNS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000866541887 655948561 /nfs/dbraw/zinc/94/85/61/655948561.db2.gz DEWIWUPTVKPMDA-CQSZACIVSA-N 1 0 375.535 1.505 20 0 GDADRO O=S(=O)(c1ccc(Cl)nc1F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000866675042 655953225 /nfs/dbraw/zinc/95/32/25/655953225.db2.gz HQNAHSJJVYOPNZ-UHFFFAOYSA-N 1 0 391.896 1.997 20 0 GDADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866736430 655957521 /nfs/dbraw/zinc/95/75/21/655957521.db2.gz XQPJVQCJWJGDRF-SNVBAGLBSA-N 1 0 378.376 1.426 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC ZINC000866738795 655957711 /nfs/dbraw/zinc/95/77/11/655957711.db2.gz YEEFQOLXCUBHAH-NSHDSACASA-N 1 0 376.450 1.630 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000866759806 655959668 /nfs/dbraw/zinc/95/96/68/655959668.db2.gz DRHFVBWXCCCWJG-ZWNOBZJWSA-N 1 0 377.304 1.875 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC12CCOCC2 ZINC000866768675 655960970 /nfs/dbraw/zinc/96/09/70/655960970.db2.gz FGJJVNHXJHRMRK-JTQLQIEISA-N 1 0 380.297 1.764 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CCCO1 ZINC000866771244 655961474 /nfs/dbraw/zinc/96/14/74/655961474.db2.gz CCFAHMHJIDFHBI-JTQLQIEISA-N 1 0 389.271 1.934 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c(Br)n1 ZINC000866775748 655962006 /nfs/dbraw/zinc/96/20/06/655962006.db2.gz ODYKJKTZTYFGPJ-LBPRGKRZSA-N 1 0 391.335 1.583 20 0 GDADRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)N=[S@@](C)(=O)CC)cc1 ZINC000866777510 655962270 /nfs/dbraw/zinc/96/22/70/655962270.db2.gz UOVKEKJJRJFZIF-YWTKSJFSSA-N 1 0 389.543 1.483 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866779376 655962763 /nfs/dbraw/zinc/96/27/63/655962763.db2.gz QDTJWRODGIWLMP-UHFFFAOYSA-N 1 0 392.884 1.143 20 0 GDADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000866794991 655964442 /nfs/dbraw/zinc/96/44/42/655964442.db2.gz QOLQRFYOSFNOLW-UHFFFAOYSA-N 1 0 398.428 1.625 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1Br ZINC000866806533 655965914 /nfs/dbraw/zinc/96/59/14/655965914.db2.gz OONOFXGRFKVQAL-DTORHVGOSA-N 1 0 379.276 1.482 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)ccc1Cl ZINC000866823138 655967244 /nfs/dbraw/zinc/96/72/44/655967244.db2.gz FQQFSAPFYXIOIS-STQMWFEESA-N 1 0 378.903 1.259 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1OC ZINC000866822966 655967260 /nfs/dbraw/zinc/96/72/60/655967260.db2.gz FBZHGASTWNQXFF-QWHCGFSZSA-N 1 0 387.889 1.223 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1)C(F)(F)F ZINC000866824104 655967324 /nfs/dbraw/zinc/96/73/24/655967324.db2.gz RRCMQWHTHJZKDT-OLZOCXBDSA-N 1 0 377.388 1.702 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1)C(F)(F)F ZINC000866825661 655967480 /nfs/dbraw/zinc/96/74/80/655967480.db2.gz RMLZYHAXIBBNEP-STQMWFEESA-N 1 0 377.388 1.702 20 0 GDADRO CC(C)[C@H](CNS(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)N1CC[NH+](C)CC1 ZINC000866873273 655972373 /nfs/dbraw/zinc/97/23/73/655972373.db2.gz QSIKAWVKVCIFFH-UONOGXRCSA-N 1 0 386.389 1.762 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000867120309 655998174 /nfs/dbraw/zinc/99/81/74/655998174.db2.gz BQEJXSMFRXQAEQ-IZHWHUGBSA-N 1 0 388.559 1.004 20 0 GDADRO O=S(=O)(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc[nH]c1Br ZINC000867210419 656014335 /nfs/dbraw/zinc/01/43/35/656014335.db2.gz VEVLSFBNOLQNKA-ZDUSSCGKSA-N 1 0 399.314 1.973 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(Cl)c3c2C(=O)OC3)CC1 ZINC000867214131 656014909 /nfs/dbraw/zinc/01/49/09/656014909.db2.gz ZCRDMQVUFMKKGQ-UHFFFAOYSA-N 1 0 388.873 1.357 20 0 GDADRO CSC1(CNS(=O)(=O)c2nc[nH]c2Br)CC[NH+](C)CC1 ZINC000867279992 656030084 /nfs/dbraw/zinc/03/00/84/656030084.db2.gz KJVMOJIAIANDSJ-UHFFFAOYSA-N 1 0 383.337 1.278 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000867410420 656055938 /nfs/dbraw/zinc/05/59/38/656055938.db2.gz CWHHANHVFDLAPF-OAHLLOKOSA-N 1 0 395.301 1.547 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1Br ZINC000867496506 656070603 /nfs/dbraw/zinc/07/06/03/656070603.db2.gz IRLMUFGIEHBJLZ-JTQLQIEISA-N 1 0 379.324 1.581 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867515032 656074360 /nfs/dbraw/zinc/07/43/60/656074360.db2.gz GZODAFSBSMOYES-BXUZGUMPSA-N 1 0 383.290 1.259 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(Br)cn2)C1 ZINC000867532207 656079040 /nfs/dbraw/zinc/07/90/40/656079040.db2.gz HNTBNQKPWHTONS-IUODEOHRSA-N 1 0 395.301 1.403 20 0 GDADRO CN([C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)CCC[NH+](C)C ZINC000867538878 656080785 /nfs/dbraw/zinc/08/07/85/656080785.db2.gz ZKWNCFIOXMBNTG-LLVKDONJSA-N 1 0 391.456 1.655 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000867581445 656088120 /nfs/dbraw/zinc/08/81/20/656088120.db2.gz LCKQGAGNCKXUDZ-UHFFFAOYSA-N 1 0 390.527 1.514 20 0 GDADRO CC(C)[NH+]1CCC(CCNS(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000867653444 656099570 /nfs/dbraw/zinc/09/95/70/656099570.db2.gz WYWIEBHLXZHWGN-UHFFFAOYSA-N 1 0 388.555 1.879 20 0 GDADRO COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NS(=O)(=O)CCC[NH+](C)C ZINC000867678099 656101527 /nfs/dbraw/zinc/10/15/27/656101527.db2.gz APPKISKARCNFFQ-MRXNPFEDSA-N 1 0 376.906 1.685 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1 ZINC000867681996 656101984 /nfs/dbraw/zinc/10/19/84/656101984.db2.gz VLPKXQKQIAMDKZ-UHFFFAOYSA-N 1 0 389.543 1.042 20 0 GDADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000867743774 656107773 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1.952 20 0 GDADRO [NH3+][C@@H](C(=O)NCCN1C[C@H]2CCCCN2C1=O)c1cccc(Br)c1 ZINC000867985802 656137109 /nfs/dbraw/zinc/13/71/09/656137109.db2.gz OKVXBMXUOZQTTQ-HUUCEWRRSA-N 1 0 395.301 1.855 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000868253964 656146694 /nfs/dbraw/zinc/14/66/94/656146694.db2.gz RPJDGTOYEWSMSA-UHFFFAOYSA-N 1 0 382.258 1.751 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000868292521 656149325 /nfs/dbraw/zinc/14/93/25/656149325.db2.gz HSJVFBGKBLFVOY-NSHDSACASA-N 1 0 383.290 1.985 20 0 GDADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C1 ZINC000868303216 656149782 /nfs/dbraw/zinc/14/97/82/656149782.db2.gz TTXBDJHJSIQBLJ-BJHJDKERSA-N 1 0 382.917 1.685 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](COC)c1cccc(Br)c1 ZINC000868384615 656153145 /nfs/dbraw/zinc/15/31/45/656153145.db2.gz DYXHBJNVWIOQNW-HUUCEWRRSA-N 1 0 398.301 1.463 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ncc(Br)s1 ZINC000868510642 656158568 /nfs/dbraw/zinc/15/85/68/656158568.db2.gz XONNTHQTWAYWJJ-NSHDSACASA-N 1 0 390.351 1.731 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)NCc2ccc(Br)cn2)CC1(C)C ZINC000868579193 656161484 /nfs/dbraw/zinc/16/14/84/656161484.db2.gz SVVHBFNEMQOEAB-UHFFFAOYSA-N 1 0 384.322 1.669 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)cn2ccnc12 ZINC000868636901 656163457 /nfs/dbraw/zinc/16/34/57/656163457.db2.gz OQFKCKVGRVXAGD-CYBMUJFWSA-N 1 0 381.274 1.673 20 0 GDADRO CCN(C(=O)c1cc(I)nn1C)[C@@H]1CC[N@H+](CC)C1 ZINC000869247527 656188468 /nfs/dbraw/zinc/18/84/68/656188468.db2.gz LBEBCVQKXITPCJ-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC000870862552 656250761 /nfs/dbraw/zinc/25/07/61/656250761.db2.gz UYLUWQHYLSHDJR-HDJSIYSDSA-N 1 0 385.917 1.690 20 0 GDADRO [NH3+][C@H](C(=O)N1CCN(C(=O)N2CCCC2)CC1)c1cccc(Br)c1 ZINC000870860591 656250850 /nfs/dbraw/zinc/25/08/50/656250850.db2.gz MKTIQXQJNDDPQL-HNNXBMFYSA-N 1 0 395.301 1.809 20 0 GDADRO Cn1ccnc1CN1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870882318 656251269 /nfs/dbraw/zinc/25/12/69/656251269.db2.gz BGIHDPMBNOMMMB-INIZCTEOSA-N 1 0 392.301 1.527 20 0 GDADRO CCN1C(=S)N=NC1CCNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870882145 656251462 /nfs/dbraw/zinc/25/14/62/656251462.db2.gz JTLSRSAOZGOPRS-GFCCVEGCSA-N 1 0 384.303 1.708 20 0 GDADRO Cn1cc(CN2CCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2)cn1 ZINC000870883052 656251672 /nfs/dbraw/zinc/25/16/72/656251672.db2.gz KNIHOAJQOQXGAA-MRXNPFEDSA-N 1 0 392.301 1.527 20 0 GDADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870885234 656251752 /nfs/dbraw/zinc/25/17/52/656251752.db2.gz DRYQGGCUQSVTJY-SNVBAGLBSA-N 1 0 376.404 1.503 20 0 GDADRO CC(C)n1ncc(C(=O)N2CCC(C[NH3+])CC2)c1I ZINC000870932806 656256278 /nfs/dbraw/zinc/25/62/78/656256278.db2.gz KQDHGKMFVVPAFF-UHFFFAOYSA-N 1 0 376.242 1.880 20 0 GDADRO CC(C)n1ncc(C(=O)N(C)C2CC[NH2+]CC2)c1I ZINC000870933181 656256525 /nfs/dbraw/zinc/25/65/25/656256525.db2.gz QMWGSAUEENWTTI-UHFFFAOYSA-N 1 0 376.242 1.893 20 0 GDADRO O=C(Cc1cccc(Cl)c1Cl)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997589 656259592 /nfs/dbraw/zinc/25/95/92/656259592.db2.gz ORCWSNOFCBCJGH-YUTCNCBUSA-N 1 0 384.263 1.929 20 0 GDADRO O=C(c1cscc1C(F)(F)F)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996548 656259604 /nfs/dbraw/zinc/25/96/04/656259604.db2.gz JPEVEHRCMDMTLG-FXAINCCUSA-N 1 0 375.372 1.774 20 0 GDADRO O=C(Cc1cccc(Br)c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871000995 656259981 /nfs/dbraw/zinc/25/99/81/656259981.db2.gz POZQYMSFHNKUHB-ZNMIVQPWSA-N 1 0 394.269 1.385 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1COc2cccc(Br)c2C1 ZINC000871008495 656260170 /nfs/dbraw/zinc/26/01/70/656260170.db2.gz VWGVQFJFEDIMKB-FZMZJTMJSA-N 1 0 396.285 1.127 20 0 GDADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1ccnc(Br)c1 ZINC000871674874 656276282 /nfs/dbraw/zinc/27/62/82/656276282.db2.gz KWMHVFFXKFRPJM-UHFFFAOYSA-N 1 0 389.257 1.723 20 0 GDADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)nc1Cl ZINC000871810788 656281155 /nfs/dbraw/zinc/28/11/55/656281155.db2.gz PIMPGQRMQXWLBP-SNVBAGLBSA-N 1 0 380.297 1.825 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccnc2OCC(F)F)C[C@@H]1C(F)(F)F ZINC000871813565 656282138 /nfs/dbraw/zinc/28/21/38/656282138.db2.gz UOTVNGXXNIXQRQ-BDAKNGLRSA-N 1 0 389.346 1.483 20 0 GDADRO Cc1c(C(=O)N(C)C)occ1S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871813805 656282280 /nfs/dbraw/zinc/28/22/80/656282280.db2.gz YEXAXRYFNIXNJP-ZJUUUORDSA-N 1 0 383.392 1.048 20 0 GDADRO COC(=O)c1c(C)cccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871814038 656282442 /nfs/dbraw/zinc/28/24/42/656282442.db2.gz OIHNSJAJAYJSRR-GHMZBOCLSA-N 1 0 380.388 1.539 20 0 GDADRO CC(=O)Nc1cc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1F ZINC000871814203 656282611 /nfs/dbraw/zinc/28/26/11/656282611.db2.gz QKXSIVDCNUCJCL-ONGXEEELSA-N 1 0 383.367 1.542 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000871973916 656308980 /nfs/dbraw/zinc/30/89/80/656308980.db2.gz OZMYJILDICURBR-CQSZACIVSA-N 1 0 379.320 1.744 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+]C[C@H](O)CC(C)(C)O)cc1Br ZINC000872216344 656319954 /nfs/dbraw/zinc/31/99/54/656319954.db2.gz VBWQPBLTGRNPAY-UONOGXRCSA-N 1 0 390.318 1.720 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000872208450 656320001 /nfs/dbraw/zinc/32/00/01/656320001.db2.gz XBVAKFNNZKBISW-VHDGCEQUSA-N 1 0 391.331 1.790 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(Br)n1 ZINC000872461457 656333926 /nfs/dbraw/zinc/33/39/26/656333926.db2.gz UFEZWMWDOPRUFJ-LLVKDONJSA-N 1 0 380.308 1.479 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000872466605 656335479 /nfs/dbraw/zinc/33/54/79/656335479.db2.gz CTAGPUVJGTZEOX-KAEOHJDDSA-N 1 0 394.607 1.085 20 0 GDADRO O=C(NCc1ncc(Cl)s1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000872923293 656381934 /nfs/dbraw/zinc/38/19/34/656381934.db2.gz HKCRVBIMOJGNPR-DGCLKSJQSA-N 1 0 382.917 1.888 20 0 GDADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1cccc(Br)c1 ZINC000873101491 656386145 /nfs/dbraw/zinc/38/61/45/656386145.db2.gz VYVHLALZGKMVQE-AWEZNQCLSA-N 1 0 396.285 1.663 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)C[C@H]1C(F)(F)F ZINC000873106711 656386615 /nfs/dbraw/zinc/38/66/15/656386615.db2.gz KGFSQUGVLQWMQE-NTSWFWBYSA-N 1 0 390.309 1.696 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000873658820 656401594 /nfs/dbraw/zinc/40/15/94/656401594.db2.gz ZNNXUBHPLKERTE-UHFFFAOYSA-N 1 0 384.274 1.998 20 0 GDADRO CCc1ccc(Br)c(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000873802227 656417162 /nfs/dbraw/zinc/41/71/62/656417162.db2.gz MBCZTUPQWUXXPZ-INIZCTEOSA-N 1 0 384.274 1.133 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1Br ZINC000874173823 656448526 /nfs/dbraw/zinc/44/85/26/656448526.db2.gz OXNMUJNLZOLKNX-BXUZGUMPSA-N 1 0 396.285 1.949 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000922080112 656454181 /nfs/dbraw/zinc/45/41/81/656454181.db2.gz TZCYEUNBHBZZTD-AWEZNQCLSA-N 1 0 375.878 1.026 20 0 GDADRO COC(OC)C(=O)N1CCN(CCOc2cccc(Br)c2)CC1 ZINC000874245368 656455156 /nfs/dbraw/zinc/45/51/56/656455156.db2.gz HVOBKQQYOMPGSH-UHFFFAOYSA-N 1 0 387.274 1.591 20 0 GDADRO CSc1nnc(CNC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922120525 656458125 /nfs/dbraw/zinc/45/81/25/656458125.db2.gz KSZMPXUFKNUNKF-BQNAKDMGSA-N 1 0 385.559 1.539 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)s1 ZINC000922141804 656459475 /nfs/dbraw/zinc/45/94/75/656459475.db2.gz CMOLFLNFRLQXIJ-OLZOCXBDSA-N 1 0 389.568 1.531 20 0 GDADRO CN(C(=O)c1cc(N)nc(Br)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000874460630 656471764 /nfs/dbraw/zinc/47/17/64/656471764.db2.gz XSGVBXORUHUOLV-AWEZNQCLSA-N 1 0 396.333 1.667 20 0 GDADRO CCn1ncc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1Br ZINC000874460791 656471791 /nfs/dbraw/zinc/47/17/91/656471791.db2.gz ZSWUKCBVZLTSPF-AWEZNQCLSA-N 1 0 398.349 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Cn1cc(I)c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000875410795 656538350 /nfs/dbraw/zinc/53/83/50/656538350.db2.gz BBHOAROEGILOOO-VHSXEESVSA-N 1 0 376.242 1.627 20 0 GDADRO Cn1cc([C@@H]2CN(C[C@@H](O)COc3cc(Cl)ccc3Cl)C[C@H]2[NH3+])cn1 ZINC000923384412 656547998 /nfs/dbraw/zinc/54/79/98/656547998.db2.gz WVRKIGQIVDUNGX-IJEWVQPXSA-N 1 0 385.295 1.893 20 0 GDADRO O=S(=O)(CCN1CCC[C@@H]([NH2+]CCO)C1)c1cccc(Br)c1 ZINC000923407217 656550496 /nfs/dbraw/zinc/55/04/96/656550496.db2.gz KADCKSYADPZUPK-CQSZACIVSA-N 1 0 391.331 1.269 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000923413139 656551304 /nfs/dbraw/zinc/55/13/04/656551304.db2.gz CBWAPYZMKMZCLJ-JJXSEGSLSA-N 1 0 396.285 1.349 20 0 GDADRO [NH3+]C[C@H]1CC2(CO1)CCN(CC(=O)Nc1ccc(Br)cn1)CC2 ZINC000923448237 656553534 /nfs/dbraw/zinc/55/35/34/656553534.db2.gz ACVUIDHJIWCFCD-CYBMUJFWSA-N 1 0 383.290 1.612 20 0 GDADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448289 656553632 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O=S(=O)(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000923602782 656575233 /nfs/dbraw/zinc/57/52/33/656575233.db2.gz GEESPVFPAAUFMC-DLBZAZTESA-N 1 0 387.933 1.385 20 0 GDADRO Cc1cc(NC(=O)CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000923601187 656575288 /nfs/dbraw/zinc/57/52/88/656575288.db2.gz LTCDULXWKPBZDR-GFCCVEGCSA-N 1 0 390.303 1.367 20 0 GDADRO O=S(=O)(NCC1(c2ccc(Br)cc2)CCOCC1)C1C[NH2+]C1 ZINC000923604430 656575700 /nfs/dbraw/zinc/57/57/00/656575700.db2.gz VHZHLRPRXJLGQT-UHFFFAOYSA-N 1 0 389.315 1.389 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923606368 656576201 /nfs/dbraw/zinc/57/62/01/656576201.db2.gz SUQOHEFGJBTZSE-GFCCVEGCSA-N 1 0 390.303 1.367 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000923610455 656576482 /nfs/dbraw/zinc/57/64/82/656576482.db2.gz RFGURUSYWMTRIM-LBPRGKRZSA-N 1 0 386.294 1.235 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cscc1C(F)F ZINC000923637042 656578970 /nfs/dbraw/zinc/57/89/70/656578970.db2.gz NRFPRUSPTCSLGR-JTQLQIEISA-N 1 0 381.470 1.694 20 0 GDADRO CCOC(=O)CS[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)C(F)(F)F ZINC000876257202 656587651 /nfs/dbraw/zinc/58/76/51/656587651.db2.gz GJOLLSQRNSCTQG-NEPJUHHUSA-N 1 0 385.452 1.949 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCNCC[NH2+]CC2)c1 ZINC000923692408 656589325 /nfs/dbraw/zinc/58/93/25/656589325.db2.gz ADJNDGGDWFKJEW-UHFFFAOYSA-N 1 0 376.320 1.082 20 0 GDADRO [NH3+][C@]1(CO)CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000923693738 656589833 /nfs/dbraw/zinc/58/98/33/656589833.db2.gz DZQFZXDCIGNBNT-GFCCVEGCSA-N 1 0 383.695 1.577 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C(F)(F)F ZINC000923692748 656589860 /nfs/dbraw/zinc/58/98/60/656589860.db2.gz XFPNFFSOOQJHFA-CMPLNLGQSA-N 1 0 377.388 1.560 20 0 GDADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000923696409 656591652 /nfs/dbraw/zinc/59/16/52/656591652.db2.gz BHNSOWIAUYBKKH-JTQLQIEISA-N 1 0 386.417 1.340 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c1OC ZINC000923700434 656593132 /nfs/dbraw/zinc/59/31/32/656593132.db2.gz ATXHGPPPKARTHZ-MNOVXSKESA-N 1 0 390.889 1.741 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923704171 656593453 /nfs/dbraw/zinc/59/34/53/656593453.db2.gz UXXIZYGZLREWRP-GFCCVEGCSA-N 1 0 387.527 1.720 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Br ZINC000923710707 656593876 /nfs/dbraw/zinc/59/38/76/656593876.db2.gz MVSIKYSFVJTXAP-WDEREUQCSA-N 1 0 375.288 1.688 20 0 GDADRO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923735919 656596434 /nfs/dbraw/zinc/59/64/34/656596434.db2.gz MHCJSBCSHFINBK-AWEZNQCLSA-N 1 0 379.404 1.929 20 0 GDADRO [NH3+]CC[C@H]1Cc2ccccc2N(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000923744489 656597336 /nfs/dbraw/zinc/59/73/36/656597336.db2.gz HWITWDJOKZOIHE-GJZGRUSLSA-N 1 0 386.539 1.169 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCCOC(F)(F)C(F)(F)F)CC1 ZINC000876356236 656601837 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382.242 1.959 20 0 GDADRO C[NH+](C)C[C@H](N)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000876677827 656623477 /nfs/dbraw/zinc/62/34/77/656623477.db2.gz VUFPWXIFLGYCGB-HNNXBMFYSA-N 1 0 380.290 1.716 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](CC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC000876723824 656626817 /nfs/dbraw/zinc/62/68/17/656626817.db2.gz XXYZIBDBDWBQFD-UHFFFAOYSA-N 1 0 375.535 1.695 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(Br)cnc1F ZINC000876834397 656634555 /nfs/dbraw/zinc/63/45/55/656634555.db2.gz NFRMLQMJEIBBII-NSHDSACASA-N 1 0 387.253 1.443 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000876859380 656636050 /nfs/dbraw/zinc/63/60/50/656636050.db2.gz GXRYCJBEQRBIOU-KGLIPLIRSA-N 1 0 382.302 1.849 20 0 GDADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000876888388 656636578 /nfs/dbraw/zinc/63/65/78/656636578.db2.gz RFSQZCISKAPJAM-GFCCVEGCSA-N 1 0 382.511 1.511 20 0 GDADRO O=C(NCCOc1ccc(I)cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876897104 656638141 /nfs/dbraw/zinc/63/81/41/656638141.db2.gz PBRFRKTVOIVKBS-GWCFXTLKSA-N 1 0 392.212 1.734 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000876913858 656639880 /nfs/dbraw/zinc/63/98/80/656639880.db2.gz VCSQCQFTDONDDM-MNOVXSKESA-N 1 0 388.253 1.629 20 0 GDADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000876919082 656639905 /nfs/dbraw/zinc/63/99/05/656639905.db2.gz PTGSBPAMLKEYBO-PBHICJAKSA-N 1 0 398.301 1.356 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cn3ccc(Br)cc3=O)CC2)C1 ZINC000876920720 656640197 /nfs/dbraw/zinc/64/01/97/656640197.db2.gz ATXBRLFCVKBJBD-HUUCEWRRSA-N 1 0 398.301 1.356 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000876928515 656640787 /nfs/dbraw/zinc/64/07/87/656640787.db2.gz HNDHWUBOYXJBHE-UHFFFAOYSA-N 1 0 395.591 1.031 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cn2ccc(Br)cc2=O)C1 ZINC000876950087 656641956 /nfs/dbraw/zinc/64/19/56/656641956.db2.gz DYYARLJLGJQSJS-ILXRZTDVSA-N 1 0 398.301 1.498 20 0 GDADRO O=C(NCCc1ccc(I)cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876974718 656643496 /nfs/dbraw/zinc/64/34/96/656643496.db2.gz QSUGENQHMWKGFD-AAEUAGOBSA-N 1 0 376.213 1.898 20 0 GDADRO O=C(NCCc1ccc(I)cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876974721 656643559 /nfs/dbraw/zinc/64/35/59/656643559.db2.gz QSUGENQHMWKGFD-YPMHNXCESA-N 1 0 376.213 1.898 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000877009662 656645883 /nfs/dbraw/zinc/64/58/83/656645883.db2.gz VJTLUQRGUVXIBN-UWVGGRQHSA-N 1 0 380.297 1.705 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877030675 656647689 /nfs/dbraw/zinc/64/76/89/656647689.db2.gz KFUBEZHHRLKBQN-HUUCEWRRSA-N 1 0 396.285 1.439 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877030674 656647798 /nfs/dbraw/zinc/64/77/98/656647798.db2.gz KFUBEZHHRLKBQN-GJZGRUSLSA-N 1 0 396.285 1.439 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C[NH2+]1 ZINC000877049800 656649863 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/nfs/dbraw/zinc/37/05/84/657370584.db2.gz NVERFVSCRYBKJQ-KGLIPLIRSA-N 1 0 384.274 1.106 20 0 GDADRO CCOCCCNC(=O)[C@H](C)[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934750288 657373425 /nfs/dbraw/zinc/37/34/25/657373425.db2.gz NXVCSXKGDQNSNH-ODCWNRFASA-N 1 0 376.567 1.204 20 0 GDADRO COC[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1cccc(Br)c1 ZINC000884715099 657374360 /nfs/dbraw/zinc/37/43/60/657374360.db2.gz JCYMNQQYSZBTIC-ZDUSSCGKSA-N 1 0 384.274 1.250 20 0 GDADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000884716186 657374651 /nfs/dbraw/zinc/37/46/51/657374651.db2.gz QIPKKSMZGINVFO-SNVBAGLBSA-N 1 0 378.782 1.628 20 0 GDADRO O=C(c1ccc(Br)[nH]c1=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000934783266 657376853 /nfs/dbraw/zinc/37/68/53/657376853.db2.gz CXRQGSLKJGFLJL-GFCCVEGCSA-N 1 0 384.274 1.877 20 0 GDADRO OC[C@H]([NH2+]CC1(O)CCOCC1)c1ccccc1I ZINC000934825101 657379013 /nfs/dbraw/zinc/37/90/13/657379013.db2.gz BBCMHZWJJUYMHL-ZDUSSCGKSA-N 1 0 377.222 1.456 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884774268 657379132 /nfs/dbraw/zinc/37/91/32/657379132.db2.gz JBOKBBPDKGRWBT-HUUCEWRRSA-N 1 0 380.286 1.727 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000884796166 657379801 /nfs/dbraw/zinc/37/98/01/657379801.db2.gz CMRDUMDIKGBTTP-QMMMGPOBSA-N 1 0 396.207 1.808 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)cn2ncnc12 ZINC000934953944 657387545 /nfs/dbraw/zinc/38/75/45/657387545.db2.gz MBZWMXGJTRIFBM-ZDUSSCGKSA-N 1 0 396.289 1.459 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884950790 657389439 /nfs/dbraw/zinc/38/94/39/657389439.db2.gz RKOAHHHMRBWDJC-HUUCEWRRSA-N 1 0 386.539 1.612 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000884958840 657390462 /nfs/dbraw/zinc/39/04/62/657390462.db2.gz FGSFZNYREZSMID-KAEOHJDDSA-N 1 0 386.543 1.451 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000935052900 657396302 /nfs/dbraw/zinc/39/63/02/657396302.db2.gz RSCZQQMILROPCE-QGZVFWFLSA-N 1 0 395.301 1.736 20 0 GDADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(Br)cn2)C1 ZINC000885023859 657407288 /nfs/dbraw/zinc/40/72/88/657407288.db2.gz KIQWBHHCXYYRRN-QGZVFWFLSA-N 1 0 397.317 1.684 20 0 GDADRO C[NH+](C)CCOCCNC(=O)[C@@](C)(O)c1ccc(F)c(Br)c1 ZINC000935260937 657418522 /nfs/dbraw/zinc/41/85/22/657418522.db2.gz WKFVVICQCOPJDM-HNNXBMFYSA-N 1 0 377.254 1.490 20 0 GDADRO CC(C)([NH3+])CCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000885099922 657418958 /nfs/dbraw/zinc/41/89/58/657418958.db2.gz BHDLIWAPEVKZAV-UHFFFAOYSA-N 1 0 382.302 1.841 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000885100195 657418979 /nfs/dbraw/zinc/41/89/79/657418979.db2.gz DPTMUFIFKHARAQ-BXUZGUMPSA-N 1 0 380.286 1.545 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC000885176107 657425043 /nfs/dbraw/zinc/42/50/43/657425043.db2.gz NUSJKAXUNIABHV-UHFFFAOYSA-N 1 0 378.270 1.896 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)C[C@H]2CCCC(C)(C)O2)CC1 ZINC000885225638 657431186 /nfs/dbraw/zinc/43/11/86/657431186.db2.gz CBBNXBITIUDLBF-MRXNPFEDSA-N 1 0 375.579 1.670 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000885225637 657431437 /nfs/dbraw/zinc/43/14/37/657431437.db2.gz CBBNXBITIUDLBF-INIZCTEOSA-N 1 0 375.579 1.670 20 0 GDADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NCc2cscc2Cl)CC1 ZINC000885236067 657432444 /nfs/dbraw/zinc/43/24/44/657432444.db2.gz YGTBUZWERATIDH-GJZGRUSLSA-N 1 0 385.917 1.763 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc2c(Br)cnn2c1 ZINC000935446057 657433992 /nfs/dbraw/zinc/43/39/92/657433992.db2.gz PRUOWLVZQQWQKV-ZDUSSCGKSA-N 1 0 394.317 1.853 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCSC2(CCCCC2)C1 ZINC000885279350 657437796 /nfs/dbraw/zinc/43/77/96/657437796.db2.gz HLZYIFSCIAUUKK-ZDUSSCGKSA-N 1 0 375.485 1.626 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cnn3cccc(Br)c23)C1 ZINC000935681266 657467042 /nfs/dbraw/zinc/46/70/42/657467042.db2.gz UAWNLCVIIXQTSF-INIZCTEOSA-N 1 0 381.274 1.626 20 0 GDADRO O=C(NC[C@@H]1CN2CCN1CCC2)c1ccccc1[S@@](=O)C(F)(F)F ZINC000935843908 657499795 /nfs/dbraw/zinc/49/97/95/657499795.db2.gz XGNRMDTVCLWNLJ-XELLLNAOSA-N 1 0 375.416 1.434 20 0 GDADRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)oc1Br ZINC000935972472 657532797 /nfs/dbraw/zinc/53/27/97/657532797.db2.gz UDLOPEUBPMFWRF-LBPRGKRZSA-N 1 0 384.274 1.775 20 0 GDADRO CSC1(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)CC[NH+](C)CC1 ZINC000936042707 657543540 /nfs/dbraw/zinc/54/35/40/657543540.db2.gz RLXQJELMCZABTH-GFCCVEGCSA-N 1 0 381.464 1.731 20 0 GDADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000885848039 657579269 /nfs/dbraw/zinc/57/92/69/657579269.db2.gz NYIDPOYCFVGJEQ-AWEZNQCLSA-N 1 0 389.543 1.135 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1Br ZINC000885880503 657583549 /nfs/dbraw/zinc/58/35/49/657583549.db2.gz RWWGGCXHLIPMAC-LBPRGKRZSA-N 1 0 384.274 1.841 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCn2ncc(I)c2C1 ZINC000886197125 657606260 /nfs/dbraw/zinc/60/62/60/657606260.db2.gz MRYDAEZISDTEFP-NSHDSACASA-N 1 0 388.253 1.703 20 0 GDADRO CSC[C@H](O)CN1CC[N@H+](C[C@@H](O)CSC)[C@H](Cc2ccccc2)C1 ZINC000886384439 657648435 /nfs/dbraw/zinc/64/84/35/657648435.db2.gz ROKBTWYVKHSZGK-GUDVDZBRSA-N 1 0 384.611 1.663 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](CO)([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000886429023 657657876 /nfs/dbraw/zinc/65/78/76/657657876.db2.gz QKSGWZCRJIMIRD-YOEHRIQHSA-N 1 0 376.519 1.163 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2nc(Cl)cs2)C3)C1 ZINC000999571213 657662189 /nfs/dbraw/zinc/66/21/89/657662189.db2.gz CVGNGVFTOKKXKA-NDBYEHHHSA-N 1 0 382.917 2.000 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000886890365 657719128 /nfs/dbraw/zinc/71/91/28/657719128.db2.gz GLCBGYJNDCHWLB-QGZVFWFLSA-N 1 0 375.535 1.649 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)c(OC)cc1OC ZINC000886890665 657719659 /nfs/dbraw/zinc/71/96/59/657719659.db2.gz PKQRQTFOECOSCM-JTQLQIEISA-N 1 0 393.303 1.839 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1 ZINC000886891952 657720478 /nfs/dbraw/zinc/72/04/78/657720478.db2.gz LVQCKMKGALCXTJ-SNVBAGLBSA-N 1 0 380.388 1.865 20 0 GDADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886897987 657723877 /nfs/dbraw/zinc/72/38/77/657723877.db2.gz NZIGFTPDIVNHCJ-JTQLQIEISA-N 1 0 385.839 1.990 20 0 GDADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886897606 657723979 /nfs/dbraw/zinc/72/39/79/657723979.db2.gz BXXOJEAQNJYRAO-SECBINFHSA-N 1 0 382.816 1.650 20 0 GDADRO CCOC(=O)Cc1cccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000886897816 657724111 /nfs/dbraw/zinc/72/41/11/657724111.db2.gz IVFSUZVSQWCAQY-ZDUSSCGKSA-N 1 0 376.425 1.315 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000886899099 657725462 /nfs/dbraw/zinc/72/54/62/657725462.db2.gz BQCXWAUCGFIFAG-NSHDSACASA-N 1 0 377.413 1.696 20 0 GDADRO COC(=O)c1ccc(OC)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886899852 657725485 /nfs/dbraw/zinc/72/54/85/657725485.db2.gz WPIRGLNHVDLJIH-JTQLQIEISA-N 1 0 378.397 1.005 20 0 GDADRO CCN(C(=O)C(=O)Nc1ccccc1I)[C@H]1CC[NH2+]C1 ZINC000886987280 657731693 /nfs/dbraw/zinc/73/16/93/657731693.db2.gz VOBMOEBFDYNXBO-JTQLQIEISA-N 1 0 387.221 1.440 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)Nc1cccnc1Br ZINC000887035550 657741169 /nfs/dbraw/zinc/74/11/69/657741169.db2.gz RESWFPBHQYQSJO-MRVPVSSYSA-N 1 0 377.189 1.144 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000887035673 657741305 /nfs/dbraw/zinc/74/13/05/657741305.db2.gz UREOTOXFGBRADF-VIFPVBQESA-N 1 0 391.216 1.452 20 0 GDADRO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@H+](C)CCCF ZINC000887140168 657756231 /nfs/dbraw/zinc/75/62/31/657756231.db2.gz SVEHINDWHGFHIU-LBPRGKRZSA-N 1 0 375.466 1.564 20 0 GDADRO OC1(Cc2cn(-c3cccc(I)c3)nn2)CC[NH2+]CC1 ZINC000887409841 657781109 /nfs/dbraw/zinc/78/11/09/657781109.db2.gz 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1 0 392.543 1.876 20 0 GDADRO C[C@@H]([NH2+]CCOC1CCSCC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000903446938 659315424 /nfs/dbraw/zinc/31/54/24/659315424.db2.gz YVULHOSNATYMSU-CYBMUJFWSA-N 1 0 386.539 1.508 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)N[C@H]1CCC[NH2+]C1 ZINC000903510376 659321216 /nfs/dbraw/zinc/32/12/16/659321216.db2.gz ICAWXJHVDULDTL-JTQLQIEISA-N 1 0 377.260 1.349 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)NC1CC[NH2+]CC1 ZINC000903511160 659321546 /nfs/dbraw/zinc/32/15/46/659321546.db2.gz QYRZTTHKXXFAGN-UHFFFAOYSA-N 1 0 377.260 1.349 20 0 GDADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000903514032 659323401 /nfs/dbraw/zinc/32/34/01/659323401.db2.gz ZNWWWDFXQRWPNC-SECBINFHSA-N 1 0 381.267 1.969 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC[NH2+]1 ZINC000903519358 659326764 /nfs/dbraw/zinc/32/67/64/659326764.db2.gz ZLOCOQCNEINTRU-KOLCDFICSA-N 1 0 391.287 1.738 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)c1 ZINC000903521373 659327336 /nfs/dbraw/zinc/32/73/36/659327336.db2.gz UGEJESRKRIWACA-UHFFFAOYSA-N 1 0 388.555 1.866 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)N[C@H]1CCCC[NH2+]C1 ZINC000903522178 659328140 /nfs/dbraw/zinc/32/81/40/659328140.db2.gz OMHOVOHNPSWOGR-NSHDSACASA-N 1 0 391.287 1.739 20 0 GDADRO C[C@H](CCC[NH3+])NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903522874 659328555 /nfs/dbraw/zinc/32/85/55/659328555.db2.gz WXZYAFWJKZIEJP-SECBINFHSA-N 1 0 379.276 1.725 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1F ZINC000903524909 659329182 /nfs/dbraw/zinc/32/91/82/659329182.db2.gz DQXZOESENZWVFQ-RKDXNWHRSA-N 1 0 385.230 1.657 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903525421 659329438 /nfs/dbraw/zinc/32/94/38/659329438.db2.gz HYQNAQYYPONDQT-SCZZXKLOSA-N 1 0 377.260 1.429 20 0 GDADRO COCc1ccc(C(=O)OC)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000903525597 659329459 /nfs/dbraw/zinc/32/94/59/659329459.db2.gz XAXZZZDNOXAZCR-GFCCVEGCSA-N 1 0 384.376 1.130 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903536628 659332425 /nfs/dbraw/zinc/33/24/25/659332425.db2.gz GTPFAJXYMYKETR-WMLDXEAASA-N 1 0 386.539 1.762 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(Br)cc1F ZINC000903537934 659332856 /nfs/dbraw/zinc/33/28/56/659332856.db2.gz HVXJTVOKIGLXTF-UHFFFAOYSA-N 1 0 381.267 1.717 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c1 ZINC000903538105 659333284 /nfs/dbraw/zinc/33/32/84/659333284.db2.gz NYIJABONUIQIPC-UHFFFAOYSA-N 1 0 393.303 1.586 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)NC1(C2CC[NH2+]CC2)CC1 ZINC000903555535 659339817 /nfs/dbraw/zinc/33/98/17/659339817.db2.gz QVBFSWOEMBZAFE-UHFFFAOYSA-N 1 0 380.333 1.857 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC2(C)C)ccc1Br ZINC000903554581 659339993 /nfs/dbraw/zinc/33/99/93/659339993.db2.gz PKBXGVCVSRGMCK-GFCCVEGCSA-N 1 0 391.287 1.512 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)ccc1Cl ZINC000903557732 659340435 /nfs/dbraw/zinc/34/04/35/659340435.db2.gz IXOFDWLPOAXSJY-UHFFFAOYSA-N 1 0 392.930 1.554 20 0 GDADRO COc1ccsc1S(=O)(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000903560807 659341111 /nfs/dbraw/zinc/34/11/11/659341111.db2.gz ANFLVRAAJLZIJT-UHFFFAOYSA-N 1 0 381.523 1.640 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1I ZINC000903561343 659341247 /nfs/dbraw/zinc/34/12/47/659341247.db2.gz OIBQAGYUPBHWHZ-ZWKOPEQDSA-N 1 0 392.262 1.771 20 0 GDADRO Cc1cc(Br)ccc1CS(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000903564236 659342612 /nfs/dbraw/zinc/34/26/12/659342612.db2.gz RLTQLONXCOVYHW-UHFFFAOYSA-N 1 0 390.347 1.600 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000903565992 659343416 /nfs/dbraw/zinc/34/34/16/659343416.db2.gz WXGINNVETQIKAZ-UHFFFAOYSA-N 1 0 396.738 1.804 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000903569331 659344349 /nfs/dbraw/zinc/34/43/49/659344349.db2.gz IGUGBRSXNKJZPI-RCBQFDQVSA-N 1 0 385.917 1.601 20 0 GDADRO COC(=O)c1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903570485 659344613 /nfs/dbraw/zinc/34/46/13/659344613.db2.gz LMYMBFKOTXQXAE-VXGBXAGGSA-N 1 0 380.388 1.600 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)c(F)cc1Br ZINC000903570768 659344626 /nfs/dbraw/zinc/34/46/26/659344626.db2.gz BWTNNUQDIVIMPO-ZKCHVHJHSA-N 1 0 395.250 1.390 20 0 GDADRO C[NH2+]CCN(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000903570719 659344799 /nfs/dbraw/zinc/34/47/99/659344799.db2.gz ZMZLRJSVOHMWEW-HNNXBMFYSA-N 1 0 387.571 1.194 20 0 GDADRO CC(=O)N1Cc2ccc(S(=O)(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cc2C1 ZINC000903573376 659345530 /nfs/dbraw/zinc/34/55/30/659345530.db2.gz ZFMQVXYXEIWUJB-ZIAGYGMSSA-N 1 0 377.388 1.059 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1F ZINC000903573367 659345571 /nfs/dbraw/zinc/34/55/71/659345571.db2.gz YNZRVZAINSBLAI-RKDXNWHRSA-N 1 0 388.314 1.262 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903578051 659348845 /nfs/dbraw/zinc/34/88/45/659348845.db2.gz AZACQNYFGKXBQA-KGLIPLIRSA-N 1 0 379.404 1.223 20 0 GDADRO COC(=O)c1cc(C)ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903579770 659350495 /nfs/dbraw/zinc/35/04/95/659350495.db2.gz QJAMATDTYSSXKV-RYUDHWBXSA-N 1 0 380.388 1.682 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2)C(F)(F)F ZINC000903591365 659356816 /nfs/dbraw/zinc/35/68/16/659356816.db2.gz DOPZOPZOYTWMBI-CQSZACIVSA-N 1 0 377.388 1.704 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CCC[C@]12CC[NH2+]C2 ZINC000903592882 659357068 /nfs/dbraw/zinc/35/70/68/659357068.db2.gz INTYUXBMIBXFAM-CYBMUJFWSA-N 1 0 392.262 1.808 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC000903593402 659357153 /nfs/dbraw/zinc/35/71/53/659357153.db2.gz MLDMCZMGTSPKCC-CQSZACIVSA-N 1 0 375.288 1.974 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cc1Cl ZINC000903593705 659357544 /nfs/dbraw/zinc/35/75/44/659357544.db2.gz SUGSYWAWPCSGCF-OAHLLOKOSA-N 1 0 375.853 1.954 20 0 GDADRO CCc1nc(CN(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cs1 ZINC000903730375 659377986 /nfs/dbraw/zinc/37/79/86/659377986.db2.gz JBIAQYZABNLUBT-GHMZBOCLSA-N 1 0 378.420 1.402 20 0 GDADRO O=C(C(=O)N1CCS[C@@H](C(F)(F)F)C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000903764930 659379514 /nfs/dbraw/zinc/37/95/14/659379514.db2.gz OAWSCRZBCCOXLE-CYBMUJFWSA-N 1 0 379.448 1.483 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCSC[C@H]2c2nccs2)C[C@H]1C(F)(F)F ZINC000903759679 659379533 /nfs/dbraw/zinc/37/95/33/659379533.db2.gz VUFLYXSGQBLGNY-BBBLOLIVSA-N 1 0 394.444 1.108 20 0 GDADRO O=C(C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000903778331 659380340 /nfs/dbraw/zinc/38/03/40/659380340.db2.gz MHCOTMQIJNWQQA-IUODEOHRSA-N 1 0 379.448 1.485 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)CC1 ZINC000903791979 659380877 /nfs/dbraw/zinc/38/08/77/659380877.db2.gz MVIVGDMZLQCOBC-UHFFFAOYSA-N 1 0 384.249 1.423 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)CC[C@H]1F ZINC000903801021 659381468 /nfs/dbraw/zinc/38/14/68/659381468.db2.gz LJEMKYHFLTVCLT-MCIONIFRSA-N 1 0 399.264 1.405 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903801559 659381896 /nfs/dbraw/zinc/38/18/96/659381896.db2.gz PIESOZFWFQTHJG-BXUZGUMPSA-N 1 0 381.274 1.315 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903803306 659382074 /nfs/dbraw/zinc/38/20/74/659382074.db2.gz ZVNBBIKKDOGCHB-ZIAGYGMSSA-N 1 0 381.274 1.457 20 0 GDADRO O=C1NCCN(CC[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(I)cc1 ZINC000903825636 659382430 /nfs/dbraw/zinc/38/24/30/659382430.db2.gz BSDTVFNUYMTWCF-WFASDCNBSA-N 1 0 399.276 1.764 20 0 GDADRO COc1nc(N2CCN(C[C@@H]([NH3+])CC(F)F)CC2)ncc1Br ZINC000903904459 659389127 /nfs/dbraw/zinc/38/91/27/659389127.db2.gz VSAZPXXMAFSRJZ-VIFPVBQESA-N 1 0 380.237 1.352 20 0 GDADRO [NH3+][C@@H](CC(F)F)CN1CCN(c2ncc(I)cn2)CC1 ZINC000903935060 659389764 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C[C@](O)(C[NH2+]C1CCN(CCS(C)(=O)=O)CC1)C(F)(F)C(F)(F)F ZINC000905107197 659424468 /nfs/dbraw/zinc/42/44/68/659424468.db2.gz WLPOTXXNFBPSFU-NSHDSACASA-N 1 0 382.395 1.034 20 0 GDADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]C[C@@H]2CSCCS2)CC1 ZINC000905158398 659427671 /nfs/dbraw/zinc/42/76/71/659427671.db2.gz FXQGELUECKEYPZ-GYMHETDLSA-N 1 0 377.572 1.660 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CCc2ccc(Cl)nc2)CCC1 ZINC000905170600 659428949 /nfs/dbraw/zinc/42/89/49/659428949.db2.gz QXVCNWAVWLZFHX-CQSZACIVSA-N 1 0 389.949 1.869 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)C1(O)CCCC1)c1ccc(Cl)cc1F ZINC000905248091 659436915 /nfs/dbraw/zinc/43/69/15/659436915.db2.gz RJXGITOMKJXZHV-AWEZNQCLSA-N 1 0 380.869 1.013 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905256175 659437329 /nfs/dbraw/zinc/43/73/29/659437329.db2.gz MTSRGMYJYUIGOS-HNNXBMFYSA-N 1 0 390.933 1.572 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N[C@H]3CC[NH2+]C34CCCC4)cc2C1 ZINC000905352187 659445737 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GDADRO Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000905567988 659466190 /nfs/dbraw/zinc/46/61/90/659466190.db2.gz GYCWNNWELFEINC-ZDUSSCGKSA-N 1 0 377.388 1.666 20 0 GDADRO O[C@@H](C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)COc1cc(F)cc(Br)c1 ZINC000905573257 659466214 /nfs/dbraw/zinc/46/62/14/659466214.db2.gz UBLFXBBHRGFOTO-SUZRMVIJSA-N 1 0 390.249 1.721 20 0 GDADRO O=c1cc(N2CC[C@@H]([NH2+]C[C@H](O)c3ccc(F)c(Br)c3)C2)nc[nH]1 ZINC000905697930 659477038 /nfs/dbraw/zinc/47/70/38/659477038.db2.gz WHXNOHAZJOZDBU-RISCZKNCSA-N 1 0 397.248 1.986 20 0 GDADRO O[C@@H](C[NH2+]Cc1cnc2n1CCOC2)COc1cccc(Br)c1 ZINC000905701036 659477219 /nfs/dbraw/zinc/47/72/19/659477219.db2.gz XXTDLKAKOQGOIY-AWEZNQCLSA-N 1 0 382.258 1.705 20 0 GDADRO Cn1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)c(I)n1 ZINC000905924654 659495290 /nfs/dbraw/zinc/49/52/90/659495290.db2.gz OWTGEMLCWLRWNY-UHFFFAOYSA-N 1 0 388.253 1.725 20 0 GDADRO C[NH+](C)[C@@H]1CCN(c2ccc(NS(=O)(=O)N=S3(=O)CCCC3)nc2)C1 ZINC000906060757 659515408 /nfs/dbraw/zinc/51/54/08/659515408.db2.gz MEOQSXBDFKMXKS-CQSZACIVSA-N 1 0 387.531 1.140 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1nscc1I ZINC000906123101 659522347 /nfs/dbraw/zinc/52/23/47/659522347.db2.gz CNCAMKFPOOTBLF-UHFFFAOYSA-N 1 0 383.255 1.446 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn(C)nc1I ZINC000906389690 659536545 /nfs/dbraw/zinc/53/65/45/659536545.db2.gz OBNXXMHNLJNLMZ-MNOVXSKESA-N 1 0 390.269 1.875 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)nc2I)C1 ZINC000906447070 659541362 /nfs/dbraw/zinc/54/13/62/659541362.db2.gz BNJAGEWOCCSLGO-JTQLQIEISA-N 1 0 376.242 1.486 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2nscc2I)cn1 ZINC000906483826 659546730 /nfs/dbraw/zinc/54/67/30/659546730.db2.gz PIBDPIFWPZWTTH-UHFFFAOYSA-N 1 0 391.238 1.758 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906569372 659555603 /nfs/dbraw/zinc/55/56/03/659555603.db2.gz PLEPYXQOUOXONX-LLVKDONJSA-N 1 0 388.723 1.120 20 0 GDADRO CCN(C(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000906679836 659569780 /nfs/dbraw/zinc/56/97/80/659569780.db2.gz JJRQWZZRUZVYFH-LLVKDONJSA-N 1 0 381.889 1.795 20 0 GDADRO O=C(Nc1ccnn1Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000906685441 659570863 /nfs/dbraw/zinc/57/08/63/659570863.db2.gz RPMYUFSQKALICH-LLVKDONJSA-N 1 0 381.889 1.843 20 0 GDADRO C[C@H](CNC(=O)c1cccn2ncc(Br)c12)N1CC[NH+](C)CC1 ZINC000906683809 659570896 /nfs/dbraw/zinc/57/08/96/659570896.db2.gz QQEJTLBWBDAOIF-GFCCVEGCSA-N 1 0 380.290 1.463 20 0 GDADRO CC1(C)CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C[C@@H]1[NH3+] ZINC000906690397 659571855 /nfs/dbraw/zinc/57/18/55/659571855.db2.gz KOXWPHBLJDBUDA-NSHDSACASA-N 1 0 381.889 1.781 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000906708861 659574316 /nfs/dbraw/zinc/57/43/16/659574316.db2.gz XRPVEGQTSWSTCV-JTQLQIEISA-N 1 0 376.201 1.780 20 0 GDADRO O=C(Nc1ccnn1Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906728964 659577279 /nfs/dbraw/zinc/57/72/79/659577279.db2.gz RKQRTNPNNDPRJO-MVWJERBFSA-N 1 0 379.873 1.594 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000906747754 659580440 /nfs/dbraw/zinc/58/04/40/659580440.db2.gz MKXVNMKBADZESG-LLVKDONJSA-N 1 0 388.237 1.364 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000906746883 659580529 /nfs/dbraw/zinc/58/05/29/659580529.db2.gz FWYSLSBVKAGEFZ-JTQLQIEISA-N 1 0 378.231 1.908 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccccc1I)C2 ZINC000906755105 659582591 /nfs/dbraw/zinc/58/25/91/659582591.db2.gz NMABHAKIRIMLKJ-DCAQKATOSA-N 1 0 399.232 1.568 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000906769420 659583982 /nfs/dbraw/zinc/58/39/82/659583982.db2.gz LDOCNJYZZFSEGW-JTQLQIEISA-N 1 0 376.240 1.387 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000906770527 659584559 /nfs/dbraw/zinc/58/45/59/659584559.db2.gz GOELIRABZNGJIO-SNVBAGLBSA-N 1 0 377.775 1.327 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000906779382 659586011 /nfs/dbraw/zinc/58/60/11/659586011.db2.gz IGNYZKOMHMTHES-JTQLQIEISA-N 1 0 390.665 1.488 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000906784164 659587562 /nfs/dbraw/zinc/58/75/62/659587562.db2.gz XHXCEVSJJXCCFJ-JTQLQIEISA-N 1 0 388.237 1.282 20 0 GDADRO C[C@H](NC(=O)c1cn(C)nc1I)C(C)(C)C[NH+](C)C ZINC000906789494 659588736 /nfs/dbraw/zinc/58/87/36/659588736.db2.gz BLEMQCMSPGTTKP-VIFPVBQESA-N 1 0 378.258 1.731 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)nc2I)[C@@H](C)C1 ZINC000906795050 659589418 /nfs/dbraw/zinc/58/94/18/659589418.db2.gz ZRDROIAWMTUDCX-JQWIXIFHSA-N 1 0 390.269 1.827 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1nscc1I ZINC000907068948 659658156 /nfs/dbraw/zinc/65/81/56/659658156.db2.gz ROJZOOQBBUCMFV-VIFPVBQESA-N 1 0 395.266 1.324 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)Nc2cc(I)ccc2O)C1 ZINC000907143637 659680771 /nfs/dbraw/zinc/68/07/71/659680771.db2.gz CLDSXTFCBMYBNJ-UHFFFAOYSA-N 1 0 389.237 1.429 20 0 GDADRO CN(CCC(=O)N[C@H]1CCc2ncc(Br)n2C1)c1cc[nH+]cc1 ZINC000907279836 659717426 /nfs/dbraw/zinc/71/74/26/659717426.db2.gz WRIWWFRQIGSDIF-LBPRGKRZSA-N 1 0 378.274 1.998 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907336072 659730015 /nfs/dbraw/zinc/73/00/15/659730015.db2.gz IGVRXIPEGVBBAS-RHSMWYFYSA-N 1 0 385.302 1.962 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000907805263 659833789 /nfs/dbraw/zinc/83/37/89/659833789.db2.gz ISKBCGWGTSGJCW-INIZCTEOSA-N 1 0 395.345 1.637 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cccn2ncc(Br)c12 ZINC000908117701 659872154 /nfs/dbraw/zinc/87/21/54/659872154.db2.gz KBJBTHRBIXGXMK-GFCCVEGCSA-N 1 0 381.274 1.673 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cnnn1-c1ccccc1Br ZINC000908202906 659881847 /nfs/dbraw/zinc/88/18/47/659881847.db2.gz AXXKHHWVGALAJM-LBPRGKRZSA-N 1 0 394.273 1.216 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)nc2I)C1 ZINC000909435760 659948033 /nfs/dbraw/zinc/94/80/33/659948033.db2.gz AVIUHQVQXUUZGQ-JTQLQIEISA-N 1 0 376.242 1.579 20 0 GDADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NCC3(Br)CC3)cc21 ZINC000910220355 659965634 /nfs/dbraw/zinc/96/56/34/659965634.db2.gz MQEBZNQNAJPNPQ-UHFFFAOYSA-N 1 0 381.274 1.961 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910923078 659988596 /nfs/dbraw/zinc/98/85/96/659988596.db2.gz JBCJJUASSATJOX-UONOGXRCSA-N 1 0 385.917 1.418 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000910950354 659989083 /nfs/dbraw/zinc/98/90/83/659989083.db2.gz OSRBZQPXDLHNNW-CXAGYDPISA-N 1 0 382.917 1.424 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000910988884 659990295 /nfs/dbraw/zinc/99/02/95/659990295.db2.gz AYZORZFBCGYALT-CHWSQXEVSA-N 1 0 377.794 1.737 20 0 GDADRO [NH3+][C@H]1CN(C(=O)C(=O)NCc2nc(C3CC3)cs2)CC[C@H]1C(F)(F)F ZINC000911011817 659990893 /nfs/dbraw/zinc/99/08/93/659990893.db2.gz JYHKHOUHAKYXMN-ZJUUUORDSA-N 1 0 376.404 1.375 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C[C@H]1[NH3+] ZINC000911039986 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O=C(Nc1ccnc(-c2nn[nH]n2)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001571273053 945677301 /nfs/dbraw/zinc/67/73/01/945677301.db2.gz NYWPYIBXSPBQMW-HOTGVXAUSA-N 1 0 386.460 1.151 20 0 GDADRO O=C(Nc1ccnc(-c2nn[nH]n2)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001571273055 945678022 /nfs/dbraw/zinc/67/80/22/945678022.db2.gz NYWPYIBXSPBQMW-JKSUJKDBSA-N 1 0 386.460 1.151 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571276978 945738196 /nfs/dbraw/zinc/73/81/96/945738196.db2.gz LYTQMJCAPPYVIP-YEORSEQZSA-N 1 0 387.394 1.771 20 0 GDADRO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000821649686 945773491 /nfs/dbraw/zinc/77/34/91/945773491.db2.gz BDMVNXUWNGBYTD-CRAIPNDOSA-N 1 0 384.484 1.745 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571281832 945817832 /nfs/dbraw/zinc/81/78/32/945817832.db2.gz AVJWSRRFMBZOTP-QMTHXVAHSA-N 1 0 387.444 1.713 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001571282270 945835936 /nfs/dbraw/zinc/83/59/36/945835936.db2.gz FSARJLYZCPTWMF-LZWOXQAQSA-N 1 0 387.463 1.574 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1nccs1 ZINC001571282535 945850969 /nfs/dbraw/zinc/85/09/69/945850969.db2.gz JQZBXMKLRNALMG-LBPRGKRZSA-N 1 0 387.444 1.714 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571282644 945852887 /nfs/dbraw/zinc/85/28/87/945852887.db2.gz MXQCEZWCZIFHIC-KXBFYZLASA-N 1 0 387.463 1.575 20 0 GDADRO O=C(c1cscn1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571282726 945859049 /nfs/dbraw/zinc/85/90/49/945859049.db2.gz OZLNPKAQIYPFNH-GFCCVEGCSA-N 1 0 387.444 1.857 20 0 GDADRO CC[C@@H](C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1)OC ZINC001571283157 945876975 /nfs/dbraw/zinc/87/69/75/945876975.db2.gz ALIUJNRJEDKTQE-HNAYVOBHSA-N 1 0 387.488 1.548 20 0 GDADRO CC[C@@H](C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[nH]n3)nn2)CC1)[NH+](C)C ZINC001571283701 945889198 /nfs/dbraw/zinc/88/91/98/945889198.db2.gz HEAWGDWPZKISQV-DOMZBBRYSA-N 1 0 387.492 1.036 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cc(Cl)no1 ZINC001571283888 945894067 /nfs/dbraw/zinc/89/40/67/945894067.db2.gz KITMJSLAHIBSBS-UMSPYCQHSA-N 1 0 387.831 1.806 20 0 GDADRO CC[C@@H](C(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nn[nH]n1)[NH+](C)C ZINC001571284858 945904697 /nfs/dbraw/zinc/90/46/97/945904697.db2.gz VCIZOOWOXGGCQI-KBPBESRZSA-N 1 0 387.492 1.180 20 0 GDADRO Cc1cc(N(C)C[C@@H]2CCCN(C(=O)CC(C)(C)O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571284713 945905688 /nfs/dbraw/zinc/90/56/88/945905688.db2.gz ULZPLCQLZCOAHD-AWEZNQCLSA-N 1 0 387.488 1.406 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)C1CCOCC1 ZINC001571287386 945970269 /nfs/dbraw/zinc/97/02/69/945970269.db2.gz CNPDQRITLLCCHE-UHFFFAOYSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(c1csnn1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571287651 945975251 /nfs/dbraw/zinc/97/52/51/945975251.db2.gz GYGYWYCZAJBVJD-LLVKDONJSA-N 1 0 388.432 1.109 20 0 GDADRO O=C([C@@H]1CCCOC1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001571287674 945978443 /nfs/dbraw/zinc/97/84/43/945978443.db2.gz HSRFYVXNDDMADG-CQSZACIVSA-N 1 0 388.447 1.513 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571288243 945982958 /nfs/dbraw/zinc/98/29/58/945982958.db2.gz MXWBFEBQYPWEND-GJZGRUSLSA-N 1 0 388.447 1.369 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CCC1 ZINC001571288458 945987970 /nfs/dbraw/zinc/98/79/70/945987970.db2.gz PAWQLGYDONCCOZ-NVXWUHKLSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@H]1CCCOC1 ZINC001571288503 945988898 /nfs/dbraw/zinc/98/88/98/945988898.db2.gz PSTYVUZQGIPVDU-NRAUKZCXSA-N 1 0 388.447 1.417 20 0 GDADRO O=C(N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@]1(F)CCOC1 ZINC001571288565 945990480 /nfs/dbraw/zinc/99/04/80/945990480.db2.gz QPLZJIBVENLKDU-QFBILLFUSA-N 1 0 388.447 1.466 20 0 GDADRO O=C(c1cnns1)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571288773 945992579 /nfs/dbraw/zinc/99/25/79/945992579.db2.gz TWQDAEMAKWLXIM-LBPRGKRZSA-N 1 0 388.432 1.252 20 0 GDADRO CC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOCC1 ZINC001571288743 945993669 /nfs/dbraw/zinc/99/36/69/945993669.db2.gz SQOJBNSVJSRRRX-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]1CO[C@H](C(=O)NC2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001571288931 945995065 /nfs/dbraw/zinc/99/50/65/945995065.db2.gz USRKAPUFMMWUAT-PXAZEXFGSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCCCO1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571289147 945995426 /nfs/dbraw/zinc/99/54/26/945995426.db2.gz VVIFCNHRCATLID-YVEFUNNKSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001571289293 946001246 /nfs/dbraw/zinc/00/12/46/946001246.db2.gz ZBSHANALPLUMCO-LIRRHRJNSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(C[C@@H]1CCOC1)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001571290185 946032604 /nfs/dbraw/zinc/03/26/04/946032604.db2.gz XEZMYKNGATWFTD-KCQAQPDRSA-N 1 0 388.497 1.388 20 0 GDADRO Cc1cccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)n1 ZINC001571294505 946136261 /nfs/dbraw/zinc/13/62/61/946136261.db2.gz HVDKKSSYFVOENC-PKOBYXMFSA-N 1 0 389.463 1.917 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1csc(Cl)n1 ZINC001571295352 946161931 /nfs/dbraw/zinc/16/19/31/946161931.db2.gz YPYHGKHSNXLMGL-LBPRGKRZSA-N 1 0 389.872 1.981 20 0 GDADRO O=C(c1ccc2c(c1)CCO2)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571296385 946193920 /nfs/dbraw/zinc/19/39/20/946193920.db2.gz WMQRGJLOVPWZSD-KRWDZBQOSA-N 1 0 390.447 1.806 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1csnn1 ZINC001571298741 946226385 /nfs/dbraw/zinc/22/63/85/946226385.db2.gz QHQUCWXPOAHEHD-VHSXEESVSA-N 1 0 390.498 1.563 20 0 GDADRO O=C(C[NH+]1CCCC1)N[C@H]1CCCN(c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571299020 946236202 /nfs/dbraw/zinc/23/62/02/946236202.db2.gz HBUCDBHYBXNBPS-ZDUSSCGKSA-N 1 0 390.879 1.096 20 0 GDADRO O=C(CC[NH+]1CCC(O[C@H]2CCOC2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822964114 946236522 /nfs/dbraw/zinc/23/65/22/946236522.db2.gz DHQYLHXQVGRLAN-KRWDZBQOSA-N 1 0 386.456 1.465 20 0 GDADRO Cc1nsc(N2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1-c1nn[nH]n1 ZINC001571299728 946260374 /nfs/dbraw/zinc/26/03/74/946260374.db2.gz OXMJZEDNHMGKCR-YPMHNXCESA-N 1 0 390.517 1.011 20 0 GDADRO C[N@H+](CC(=O)N1CC[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1)C1CCC1 ZINC001571299732 946260456 /nfs/dbraw/zinc/26/04/56/946260456.db2.gz OYYSVSFPHIAORJ-LBPRGKRZSA-N 1 0 390.879 1.412 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)c3ccnc(C4CC4)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571299768 946262912 /nfs/dbraw/zinc/26/29/12/946262912.db2.gz UIBXRKBPAHZRDR-HNNXBMFYSA-N 1 0 390.451 1.851 20 0 GDADRO Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1-c1nn[nH]n1 ZINC001571300252 946278807 /nfs/dbraw/zinc/27/88/07/946278807.db2.gz XWUMFLUXHSSTAU-CHWSQXEVSA-N 1 0 390.517 1.376 20 0 GDADRO C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571301871 946285808 /nfs/dbraw/zinc/28/58/08/946285808.db2.gz GNFHZHGNMSGAMY-RYUDHWBXSA-N 1 0 391.426 1.625 20 0 GDADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823155649 946333486 /nfs/dbraw/zinc/33/34/86/946333486.db2.gz VVMURZSJSYLSBZ-NSHDSACASA-N 1 0 391.863 1.146 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cccnc1 ZINC001571305939 946381550 /nfs/dbraw/zinc/38/15/50/946381550.db2.gz DZGHNWZVSPZLAV-CRAIPNDOSA-N 1 0 391.479 1.974 20 0 GDADRO O=C(N[C@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571306335 946397124 /nfs/dbraw/zinc/39/71/24/946397124.db2.gz SUGHMGAHKKFHTL-KDOFPFPSSA-N 1 0 391.479 1.804 20 0 GDADRO O=C(Cc1ccc[nH]1)N[C@H]1CC12CC[NH+](Cc1ccccc1-c1nn[nH]n1)CC2 ZINC001571306671 946407142 /nfs/dbraw/zinc/40/71/42/946407142.db2.gz ZJLFXDZIZHVNEQ-SFHVURJKSA-N 1 0 391.479 1.908 20 0 GDADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCCO1)[C@@H]1CC1(F)F ZINC001571307212 946421229 /nfs/dbraw/zinc/42/12/29/946421229.db2.gz ABGDIJFRAKVOOL-HIFRSBDPSA-N 1 0 392.410 1.229 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571308545 946434008 /nfs/dbraw/zinc/43/40/08/946434008.db2.gz QPLMIPHFQOBQOV-FZKQIMNGSA-N 1 0 392.410 1.167 20 0 GDADRO Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccc(=O)[nH]2)C3)c(-c2nn[nH]n2)c[nH+]1 ZINC001571309992 946460191 /nfs/dbraw/zinc/46/01/91/946460191.db2.gz RKOKLQBRPYCMGA-DFBGVHRSSA-N 1 0 392.423 1.210 20 0 GDADRO C[C@@H](NC(=O)c1cncnc1)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571310609 946477438 /nfs/dbraw/zinc/47/74/38/946477438.db2.gz KPJZPMSUEKACOR-HUUCEWRRSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H](NC(=O)c1cncnc1)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571310607 946477824 /nfs/dbraw/zinc/47/78/24/946477824.db2.gz KPJZPMSUEKACOR-CABCVRRESA-N 1 0 392.467 1.687 20 0 GDADRO Cc1ccc(OCC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC001571310643 946477973 /nfs/dbraw/zinc/47/79/73/946477973.db2.gz LMYZMNITZUJTCH-SFHVURJKSA-N 1 0 392.463 1.945 20 0 GDADRO CC(C)n1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)cn1 ZINC001571311268 946485478 /nfs/dbraw/zinc/48/54/78/946485478.db2.gz VACFWSBQDFFMMP-PIIMJCKOSA-N 1 0 392.467 1.504 20 0 GDADRO CCc1cncc(C(=O)N2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)c1 ZINC001571312702 946499000 /nfs/dbraw/zinc/49/90/00/946499000.db2.gz AVNPZQDWLMCFFV-UHFFFAOYSA-N 1 0 392.467 1.880 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001571313299 946517644 /nfs/dbraw/zinc/51/76/44/946517644.db2.gz MBWJJEOIIBDJRW-PXAZEXFGSA-N 1 0 392.467 1.860 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)c1cnn2c1CCC2 ZINC001571313506 946524673 /nfs/dbraw/zinc/52/46/73/946524673.db2.gz QLXVVKBUGFQEDB-XJKSGUPXSA-N 1 0 392.467 1.402 20 0 GDADRO CCc1cccnc1C(=O)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571313650 946527360 /nfs/dbraw/zinc/52/73/60/946527360.db2.gz SIXXROJWMKLNCT-AWEZNQCLSA-N 1 0 392.467 1.605 20 0 GDADRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823994892 946535343 /nfs/dbraw/zinc/53/53/43/946535343.db2.gz RIAJHEYDWYOCMT-YJBOKZPZSA-N 1 0 397.483 1.210 20 0 GDADRO Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)Cc2cccnc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314781 946545087 /nfs/dbraw/zinc/54/50/87/946545087.db2.gz CRJRPABLBRKSJV-WBVHZDCISA-N 1 0 392.467 1.327 20 0 GDADRO CC(=O)OC1CC[NH+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824010731 946545484 /nfs/dbraw/zinc/54/54/84/946545484.db2.gz RMGRXOMCTPNHKB-UHFFFAOYSA-N 1 0 381.440 1.795 20 0 GDADRO Cc1cc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2ccc(-c4nn[nH]n4)cc2)CC3)[nH]n1 ZINC001571316136 946566096 /nfs/dbraw/zinc/56/60/96/946566096.db2.gz UVIDEIQKYHRFGP-FXAWDEMLSA-N 1 0 392.467 1.825 20 0 GDADRO Cc1ccc(CC(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2C)cn1 ZINC001571316196 946568392 /nfs/dbraw/zinc/56/83/92/946568392.db2.gz WANWKQNXSKIAND-HOCLYGCPSA-N 1 0 392.467 1.421 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C23CCC3)n1C ZINC001571316252 946571315 /nfs/dbraw/zinc/57/13/15/946571315.db2.gz XNHXSDUIBZIIOH-IAGOWNOFSA-N 1 0 392.467 1.484 20 0 GDADRO Cc1ncc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)n1C ZINC001571316501 946580012 /nfs/dbraw/zinc/58/00/12/946580012.db2.gz DSHPUWVTEIVGFQ-CRAIPNDOSA-N 1 0 392.467 1.255 20 0 GDADRO Cn1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C23CCC3)c1 ZINC001571316589 946581632 /nfs/dbraw/zinc/58/16/32/946581632.db2.gz HHPGXZYJPCBNPU-SJORKVTESA-N 1 0 392.467 1.431 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cc(C2CC2)n[nH]1 ZINC001571316741 946586301 /nfs/dbraw/zinc/58/63/01/946586301.db2.gz LEHAOLSXLOFCDR-AKAXFMLLSA-N 1 0 392.467 1.765 20 0 GDADRO O=C(CCc1cnccn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316739 946587686 /nfs/dbraw/zinc/58/76/86/946587686.db2.gz LDCKZCAJQCQKNX-GOSISDBHSA-N 1 0 392.467 1.370 20 0 GDADRO O=C(N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cncnc1 ZINC001571316885 946592155 /nfs/dbraw/zinc/59/21/55/946592155.db2.gz OXOKDXXDXDZTON-WMZOPIPTSA-N 1 0 392.467 1.735 20 0 GDADRO Cc1ccnc(C(=O)N2CCC(C)([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC001571316960 946595786 /nfs/dbraw/zinc/59/57/86/946595786.db2.gz QMSXPPSDHPNOAT-UHFFFAOYSA-N 1 0 392.467 1.750 20 0 GDADRO Cn1cnc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571317054 946597451 /nfs/dbraw/zinc/59/74/51/946597451.db2.gz UGVOGOXQWHLJFZ-MAUKXSAKSA-N 1 0 392.467 1.337 20 0 GDADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC001571317932 946623241 /nfs/dbraw/zinc/62/32/41/946623241.db2.gz ZDLPCZRGNGCODL-NEPJUHHUSA-N 1 0 392.485 1.805 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824412546 946692943 /nfs/dbraw/zinc/69/29/43/946692943.db2.gz ARGXHBHJLWVZOD-HNNXBMFYSA-N 1 0 380.452 1.882 20 0 GDADRO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573537767 946758287 /nfs/dbraw/zinc/75/82/87/946758287.db2.gz KTWFHMHYMXZQNH-GUYCJALGSA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573540926 946780997 /nfs/dbraw/zinc/78/09/97/946780997.db2.gz KTWFHMHYMXZQNH-SUMWQHHRSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824594139 946847254 /nfs/dbraw/zinc/84/72/54/946847254.db2.gz WUXHPXVADZYCBC-INIZCTEOSA-N 1 0 393.499 1.520 20 0 GDADRO C[C@](O)(C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F ZINC000824669907 946890998 /nfs/dbraw/zinc/89/09/98/946890998.db2.gz IAPPLLQSYSCPNA-INIZCTEOSA-N 1 0 384.406 1.734 20 0 GDADRO C[C@@H]1C[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC(C)(C)C1 ZINC000824983539 947020234 /nfs/dbraw/zinc/02/02/34/947020234.db2.gz BGOKXZKAEHAZDU-AWEZNQCLSA-N 1 0 397.483 1.956 20 0 GDADRO CCOc1cccc([C@@H]2C[C@@H]2[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825648738 947271116 /nfs/dbraw/zinc/27/11/16/947271116.db2.gz ACZCBSBHSPEOPY-OKZBNKHCSA-N 1 0 378.436 1.938 20 0 GDADRO C[C@@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573591559 947318277 /nfs/dbraw/zinc/31/82/77/947318277.db2.gz CTOQVIGZTMEJJO-NSHDSACASA-N 1 0 379.415 1.980 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573591871 947324362 /nfs/dbraw/zinc/32/43/62/947324362.db2.gz GYUBGYMCIJSSMQ-GOEBONIOSA-N 1 0 380.456 1.357 20 0 GDADRO C[NH+](C)CCOc1cc(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)ccn1 ZINC000825870148 947349776 /nfs/dbraw/zinc/34/97/76/947349776.db2.gz BQGXEBBXHLXSKT-FPLPWBNLSA-N 1 0 379.424 1.854 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573592914 947357066 /nfs/dbraw/zinc/35/70/66/947357066.db2.gz OHUQGFUFVYBBGD-DOTOQJQBSA-N 1 0 379.468 1.962 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCCNc3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC000826022659 947406104 /nfs/dbraw/zinc/40/61/04/947406104.db2.gz QQNLRXUXTPULDE-MRXNPFEDSA-N 1 0 399.503 1.047 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029801 947409656 /nfs/dbraw/zinc/40/96/56/947409656.db2.gz XAYMPAOKCNZMLL-QAPCUYQASA-N 1 0 383.500 1.636 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC001573596864 947431904 /nfs/dbraw/zinc/43/19/04/947431904.db2.gz LSSLHZNXQFFOAS-KBXCAEBGSA-N 1 0 386.500 1.602 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(C)C ZINC001573597788 947440372 /nfs/dbraw/zinc/44/03/72/947440372.db2.gz ONOZANIMIBCNGT-NEPJUHHUSA-N 1 0 380.518 1.519 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CCCC1 ZINC001573598827 947446754 /nfs/dbraw/zinc/44/67/54/947446754.db2.gz SCNLCJIKDYAVMU-RHSMWYFYSA-N 1 0 386.500 1.602 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCCO1 ZINC001573603013 947477575 /nfs/dbraw/zinc/47/75/75/947477575.db2.gz IUYWXTHTCRVXSV-SUMWQHHRSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@H](C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573613517 947564434 /nfs/dbraw/zinc/56/44/34/947564434.db2.gz BNZZLJHXCMPTIA-VBKZILBWSA-N 1 0 392.467 1.533 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573615183 947600000 /nfs/dbraw/zinc/60/00/00/947600000.db2.gz IQIRMAAHDLAEIS-HUUCEWRRSA-N 1 0 380.456 1.397 20 0 GDADRO C=Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001573354813 947635759 /nfs/dbraw/zinc/63/57/59/947635759.db2.gz HYYLIQLEDJRPLF-SFHVURJKSA-N 1 0 378.436 1.390 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573618939 947658288 /nfs/dbraw/zinc/65/82/88/947658288.db2.gz UCKZRCGLGDLCDB-RYUDHWBXSA-N 1 0 379.415 1.838 20 0 GDADRO C[C@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573619583 947667370 /nfs/dbraw/zinc/66/73/70/947667370.db2.gz VVDBISCXWFAYNB-AWEZNQCLSA-N 1 0 392.467 1.533 20 0 GDADRO CS[C@@H]1CN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C[C@H]1[NH+](C)C ZINC000826227827 947669521 /nfs/dbraw/zinc/66/95/21/947669521.db2.gz YIVCHVQAZMCICO-ZIAGYGMSSA-N 1 0 386.485 1.394 20 0 GDADRO C/C(=C/C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C1CC1 ZINC001573361846 947696961 /nfs/dbraw/zinc/69/69/61/947696961.db2.gz FUMPBWVLNQAWKH-CPZOXXFISA-N 1 0 382.468 1.274 20 0 GDADRO Cc1c(Cl)cnc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1-c1nn[nH]n1 ZINC000826237946 947700251 /nfs/dbraw/zinc/70/02/51/947700251.db2.gz RBYUMGVLLBINRV-CQSZACIVSA-N 1 0 390.923 1.830 20 0 GDADRO CC(=O)CCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573365237 947730741 /nfs/dbraw/zinc/73/07/41/947730741.db2.gz LSWQYWGXPCBJQT-LBPRGKRZSA-N 1 0 376.436 1.702 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573628025 947741889 /nfs/dbraw/zinc/74/18/89/947741889.db2.gz FGNWVIVUBFTCQQ-YOEHRIQHSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(C)(F)F ZINC001573629016 947769141 /nfs/dbraw/zinc/76/91/41/947769141.db2.gz QDRXXTNZZGYFFV-VXGBXAGGSA-N 1 0 379.415 1.980 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573372863 947784643 /nfs/dbraw/zinc/78/46/43/947784643.db2.gz DYVHBZFRPVVUHA-HUUCEWRRSA-N 1 0 385.472 1.482 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573373723 947796828 /nfs/dbraw/zinc/79/68/28/947796828.db2.gz KSYZNFYKBXITRO-OAHLLOKOSA-N 1 0 388.447 1.703 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573374600 947808869 /nfs/dbraw/zinc/80/88/69/947808869.db2.gz OJQGXYBFGJQVFH-MRXNPFEDSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001573376184 947830998 /nfs/dbraw/zinc/83/09/98/947830998.db2.gz SQVBDAXPPLAWDC-ZBFHGGJFSA-N 1 0 385.472 1.803 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H](C)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573376273 947833682 /nfs/dbraw/zinc/83/36/82/947833682.db2.gz XASWHGWMABREFJ-SUMWQHHRSA-N 1 0 385.472 1.482 20 0 GDADRO C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001573639617 947845975 /nfs/dbraw/zinc/84/59/75/947845975.db2.gz AGFCQUVWHKOVQZ-WMLDXEAASA-N 1 0 384.484 1.620 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573381210 947871518 /nfs/dbraw/zinc/87/15/18/947871518.db2.gz QPMHAGZFLDHLJZ-KRWDZBQOSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)NCCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573383892 947897379 /nfs/dbraw/zinc/89/73/79/947897379.db2.gz ZIMSLIMONXEVPZ-UHFFFAOYSA-N 1 0 385.472 1.744 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573647652 947898577 /nfs/dbraw/zinc/89/85/77/947898577.db2.gz RGBQXEVWZLYHOQ-RVKKMQEKSA-N 1 0 379.468 1.866 20 0 GDADRO C[C@@H](C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001573652496 947939904 /nfs/dbraw/zinc/93/99/04/947939904.db2.gz CVMAZSLUNPFTQP-BJOHPYRUSA-N 1 0 383.378 1.579 20 0 GDADRO C[C@@H](C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001573652499 947940152 /nfs/dbraw/zinc/94/01/52/947940152.db2.gz CVMAZSLUNPFTQP-VFZGTOFNSA-N 1 0 383.378 1.579 20 0 GDADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826334252 947967510 /nfs/dbraw/zinc/96/75/10/947967510.db2.gz NWCNWTKCEYXANY-UHFFFAOYSA-N 1 0 383.456 1.921 20 0 GDADRO Cc1nnc2n1C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826337363 947972899 /nfs/dbraw/zinc/97/28/99/947972899.db2.gz MAPRZFFUZNNCLM-MRXNPFEDSA-N 1 0 390.455 1.272 20 0 GDADRO C[C@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccc1 ZINC001573655161 947973870 /nfs/dbraw/zinc/97/38/70/947973870.db2.gz WEZAFKBKZBDQDR-KDOFPFPSSA-N 1 0 379.468 1.914 20 0 GDADRO Cc1onc(CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826342878 947986864 /nfs/dbraw/zinc/98/68/64/947986864.db2.gz CYXBVHPYIUJTGX-MRXNPFEDSA-N 1 0 395.467 1.686 20 0 GDADRO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573656831 947994807 /nfs/dbraw/zinc/99/48/07/947994807.db2.gz IPJPMQKONNIYNP-SJCJKPOMSA-N 1 0 386.485 1.467 20 0 GDADRO Cc1onc(CC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1-c1nn[nH]n1 ZINC000826345594 948024995 /nfs/dbraw/zinc/02/49/95/948024995.db2.gz ONMJSUYUJNYDJW-MRXNPFEDSA-N 1 0 381.440 1.659 20 0 GDADRO C[C@@H](C(=O)N[C@]1(CO)CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573664633 948058854 /nfs/dbraw/zinc/05/88/54/948058854.db2.gz WBZVBOJFUCSNCX-JLTOFOAXSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573677850 948142992 /nfs/dbraw/zinc/14/29/92/948142992.db2.gz FUPVEZMAADXQAD-KBPBESRZSA-N 1 0 382.472 1.340 20 0 GDADRO CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573432635 948192011 /nfs/dbraw/zinc/19/20/11/948192011.db2.gz HKOIWQBFZZAVOV-OCCSQVGLSA-N 1 0 386.353 1.895 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC1)[C@@H]1CCCO1 ZINC001573692152 948256536 /nfs/dbraw/zinc/25/65/36/948256536.db2.gz MLBPPWDGULAESX-YOEHRIQHSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)C1CC1 ZINC001573696705 948332111 /nfs/dbraw/zinc/33/21/11/948332111.db2.gz WAQAXRPWLYLOHN-GNCDUGFZSA-N 1 0 384.459 1.846 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573703466 948356252 /nfs/dbraw/zinc/35/62/52/948356252.db2.gz KGNHUYAQAGAQEW-CABCVRRESA-N 1 0 380.456 1.657 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573707500 948434017 /nfs/dbraw/zinc/43/40/17/948434017.db2.gz POEJMUDPJPZVGK-KGLIPLIRSA-N 1 0 385.497 1.929 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573707777 948437529 /nfs/dbraw/zinc/43/75/29/948437529.db2.gz QJXUVVUTAJNNDX-CVEARBPZSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573707783 948440023 /nfs/dbraw/zinc/44/00/23/948440023.db2.gz QJXUVVUTAJNNDX-JKSUJKDBSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCCO1)C1CC1 ZINC001573708536 948451277 /nfs/dbraw/zinc/45/12/77/948451277.db2.gz WKPIIJNAEZAZMM-YOEHRIQHSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCCO1)C1CC1 ZINC001573708535 948451352 /nfs/dbraw/zinc/45/13/52/948451352.db2.gz WKPIIJNAEZAZMM-WMLDXEAASA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)n1cccn1 ZINC001573717312 948506889 /nfs/dbraw/zinc/50/68/89/948506889.db2.gz LEJSVQDRCQKNJM-QWHCGFSZSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccn1 ZINC001573718388 948517993 /nfs/dbraw/zinc/51/79/93/948517993.db2.gz RGQFIMHASAPZNP-QWHCGFSZSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1CCCO1 ZINC001573729987 948573606 /nfs/dbraw/zinc/57/36/06/948573606.db2.gz XNCMCPBFDPGGSD-GUIRCDHDSA-N 1 0 390.513 1.728 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1cccnc1 ZINC001573731523 948591092 /nfs/dbraw/zinc/59/10/92/948591092.db2.gz FZJWPSAUFXZSPT-QWHCGFSZSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573740317 948632202 /nfs/dbraw/zinc/63/22/02/948632202.db2.gz NCVKKKWEULMFMA-NEPJUHHUSA-N 1 0 386.435 1.137 20 0 GDADRO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C1CCCC1 ZINC001573740660 948640390 /nfs/dbraw/zinc/64/03/90/948640390.db2.gz MGNPNQNCZRJIRX-VHSSKADRSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)c1ccco1 ZINC001573752651 948715703 /nfs/dbraw/zinc/71/57/03/948715703.db2.gz PNEMYMOGDIZAQT-ANRZDRKOSA-N 1 0 378.436 1.810 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001573752669 948716613 /nfs/dbraw/zinc/71/66/13/948716613.db2.gz PPLMRSAWLGOVLM-SIUGBPQLSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573754008 948724695 /nfs/dbraw/zinc/72/46/95/948724695.db2.gz ZLYNXKHHYXJFEP-KKUMJFAQSA-N 1 0 384.488 1.585 20 0 GDADRO CC(F)(F)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575225399 948807359 /nfs/dbraw/zinc/80/73/59/948807359.db2.gz AFQLPZNUDFWDJH-GFCCVEGCSA-N 1 0 382.390 1.989 20 0 GDADRO CC(F)(F)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575229492 948846121 /nfs/dbraw/zinc/84/61/21/948846121.db2.gz KEVGLQROSZHPDL-LBPRGKRZSA-N 1 0 382.390 1.989 20 0 GDADRO C[C@@H](CNC(=O)CCCn1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574919388 948877049 /nfs/dbraw/zinc/87/70/49/948877049.db2.gz YBTYAKVIOIEDLG-ZDUSSCGKSA-N 1 0 386.435 1.277 20 0 GDADRO C[C@@H](CNC(=O)CCCc1ccccn1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574919398 948877170 /nfs/dbraw/zinc/87/71/70/948877170.db2.gz YNOUUWOIJSDQLD-CQSZACIVSA-N 1 0 380.456 1.266 20 0 GDADRO C[C@H](CNC(=O)CCc1ncccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574920356 948898212 /nfs/dbraw/zinc/89/82/12/948898212.db2.gz JIUXOBWUJCCCQP-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO C[C@H](CNC(=O)CCc1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920342 948899473 /nfs/dbraw/zinc/89/94/73/948899473.db2.gz JBYNSZFRQGHANI-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)CCNc1ncccc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001574686593 948938919 /nfs/dbraw/zinc/93/89/19/948938919.db2.gz KAZWYKSVJWUXPD-LSDHHAIUSA-N 1 0 386.504 1.833 20 0 GDADRO C[C@H](CNC(=O)CCn1cccc1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574924117 948966070 /nfs/dbraw/zinc/96/60/70/948966070.db2.gz WNLPSFRYGFDPEZ-CQSZACIVSA-N 1 0 385.447 1.834 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001574925616 948976127 /nfs/dbraw/zinc/97/61/27/948976127.db2.gz BPZUJMNBDYWKFH-NSHDSACASA-N 1 0 376.440 1.049 20 0 GDADRO C[C@@H](F)CC[NH+]1CCC2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001575241600 948976325 /nfs/dbraw/zinc/97/63/25/948976325.db2.gz DIGXRVZCQSCRCG-CYBMUJFWSA-N 1 0 375.452 1.871 20 0 GDADRO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC001573773374 948982492 /nfs/dbraw/zinc/98/24/92/948982492.db2.gz AKFGANJOEKFAIF-GFCCVEGCSA-N 1 0 386.378 1.022 20 0 GDADRO C[C@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001575242186 948983751 /nfs/dbraw/zinc/98/37/51/948983751.db2.gz HVYNALUZKFTYPN-SCLBCKFNSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926222 948989632 /nfs/dbraw/zinc/98/96/32/948989632.db2.gz LFCNAONWSNLSNM-RYUDHWBXSA-N 1 0 392.895 1.421 20 0 GDADRO C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001575501350 949005497 /nfs/dbraw/zinc/00/54/97/949005497.db2.gz HFIVZZSJPAWKRW-KGLIPLIRSA-N 1 0 381.440 1.324 20 0 GDADRO CC(C)c1nnsc1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574440095 949021134 /nfs/dbraw/zinc/02/11/34/949021134.db2.gz NGWQZXVILBUQED-NSHDSACASA-N 1 0 386.485 1.750 20 0 GDADRO CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574441891 949083284 /nfs/dbraw/zinc/08/32/84/949083284.db2.gz DSLLYBWFPSJNHO-IAQYHMDHSA-N 1 0 382.428 1.368 20 0 GDADRO CC(C)(C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(F)F ZINC001573780323 949092220 /nfs/dbraw/zinc/09/22/20/949092220.db2.gz WFTJYBGZXOXSPD-UHFFFAOYSA-N 1 0 379.415 1.886 20 0 GDADRO CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCC1 ZINC001574694989 949100695 /nfs/dbraw/zinc/10/06/95/949100695.db2.gz YICHQQYQFHGQDM-CZUORRHYSA-N 1 0 387.492 1.036 20 0 GDADRO CC(C)c1nocc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574443154 949103304 /nfs/dbraw/zinc/10/33/04/949103304.db2.gz VKINUJOALSGNOR-OAHLLOKOSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)COCC1CC1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574930637 949105701 /nfs/dbraw/zinc/10/57/01/949105701.db2.gz LCSGIEFPXSFGBR-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)[C@@H]1C[C@H](CC(=O)NCC[NH2+]Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001574093456 949107988 /nfs/dbraw/zinc/10/79/88/949107988.db2.gz RWLSQXOBEPDDDU-QAPCUYQASA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)c1nocc1C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574443302 949108382 /nfs/dbraw/zinc/10/83/82/949108382.db2.gz XBIKUSLHRUYHHG-LBPRGKRZSA-N 1 0 382.428 1.512 20 0 GDADRO C[C@H](CNC(=O)COCC1CCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574930673 949110315 /nfs/dbraw/zinc/11/03/15/949110315.db2.gz LHKZHIPMGDWHGE-CYBMUJFWSA-N 1 0 390.463 1.807 20 0 GDADRO CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573782304 949119491 /nfs/dbraw/zinc/11/94/91/949119491.db2.gz QWOZGXKPHYKCBA-OTVXOJSOSA-N 1 0 392.467 1.363 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574446866 949142254 /nfs/dbraw/zinc/14/22/54/949142254.db2.gz YOYGLFDZZXZQNJ-OAHLLOKOSA-N 1 0 384.440 1.464 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001573786781 949145829 /nfs/dbraw/zinc/14/58/29/949145829.db2.gz APKJXJOSWLSEAT-PMPSAXMXSA-N 1 0 396.499 1.362 20 0 GDADRO C[C@@H](CNC(=O)COc1ccsc1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574934147 949150866 /nfs/dbraw/zinc/15/08/66/949150866.db2.gz CKVMXZVFLDUEBH-ZDUSSCGKSA-N 1 0 386.481 1.944 20 0 GDADRO C[C@H](CNC(=O)COc1cccnc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574934336 949153753 /nfs/dbraw/zinc/15/37/53/949153753.db2.gz FLWRXQZNVWZDNK-GFCCVEGCSA-N 1 0 385.403 1.074 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1F)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001575253231 949181911 /nfs/dbraw/zinc/18/19/11/949181911.db2.gz JEZINBKQOBFLLH-MNOVXSKESA-N 1 0 376.440 1.048 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)n1cccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574698273 949182241 /nfs/dbraw/zinc/18/22/41/949182241.db2.gz IPWOIOQOKLQSFD-CHWSQXEVSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574935039 949192227 /nfs/dbraw/zinc/19/22/27/949192227.db2.gz XQZZEXQKWDKAOM-ZDUSSCGKSA-N 1 0 386.481 1.944 20 0 GDADRO C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575516638 949210101 /nfs/dbraw/zinc/21/01/01/949210101.db2.gz QNDZGLYJLYMWCY-QWHCGFSZSA-N 1 0 381.444 1.188 20 0 GDADRO CC(C)(C)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573791529 949219112 /nfs/dbraw/zinc/21/91/12/949219112.db2.gz 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ZINC001576180478 949957162 /nfs/dbraw/zinc/95/71/62/949957162.db2.gz ILEVLROWKYQTHM-DYVFJYSZSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cc[nH]n2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576180808 949969076 /nfs/dbraw/zinc/96/90/76/949969076.db2.gz JBKCIORJKFQECA-SUMWQHHRSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180680 949969878 /nfs/dbraw/zinc/96/98/78/949969878.db2.gz QGQYZPWYQBGXKN-RISCZKNCSA-N 1 0 384.469 1.493 20 0 GDADRO C[C@H](NC(=O)Cc1ccoc1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575289621 950000204 /nfs/dbraw/zinc/00/02/04/950000204.db2.gz ALZJQDPDQVWFER-ZFWWWQNUSA-N 1 0 381.440 1.819 20 0 GDADRO CC1(C)C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575573986 950006551 /nfs/dbraw/zinc/00/65/51/950006551.db2.gz QRZHKIPYPOMSCO-JXFKEZNVSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1ccncc1 ZINC001574490812 950018994 /nfs/dbraw/zinc/01/89/94/950018994.db2.gz ZPAZOZXJWKEQPQ-FZKQIMNGSA-N 1 0 392.467 1.579 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574730970 950043486 /nfs/dbraw/zinc/04/34/86/950043486.db2.gz UNCTXISYSWXKGX-NSHDSACASA-N 1 0 387.394 1.463 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574730969 950043766 /nfs/dbraw/zinc/04/37/66/950043766.db2.gz UNCTXISYSWXKGX-LLVKDONJSA-N 1 0 387.394 1.463 20 0 GDADRO CC(C)(C)CC(=O)N[C@]1(CO)CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573835317 950047577 /nfs/dbraw/zinc/04/75/77/950047577.db2.gz UWXCGLMWIMAYAZ-HXUWFJFHSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccc2c(c1)COC2 ZINC001574975915 950050111 /nfs/dbraw/zinc/05/01/11/950050111.db2.gz KBCISDZYMBLYAM-LBPRGKRZSA-N 1 0 381.440 1.475 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ncc[nH]1 ZINC001574151355 950068246 /nfs/dbraw/zinc/06/82/46/950068246.db2.gz PUGLEYGDQKKRGF-CQSZACIVSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574151316 950070976 /nfs/dbraw/zinc/07/09/76/950070976.db2.gz PDGOXOFUCXTWDL-UYHMYPTGSA-N 1 0 390.513 1.441 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cn[nH]c1 ZINC001574151474 950079359 /nfs/dbraw/zinc/07/93/59/950079359.db2.gz SMUCWHXWXMHDPK-HNNXBMFYSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574152427 950102347 /nfs/dbraw/zinc/10/23/47/950102347.db2.gz CAIKBZLBMWTARK-DOTOQJQBSA-N 1 0 388.520 1.791 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001574493022 950112426 /nfs/dbraw/zinc/11/24/26/950112426.db2.gz QSGHFMANHFHRMA-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574733911 950122857 /nfs/dbraw/zinc/12/28/57/950122857.db2.gz GUXOFCLQXLBDKP-CYZMBNFOSA-N 1 0 386.485 1.392 20 0 GDADRO CC(C)(C)CC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573839405 950130811 /nfs/dbraw/zinc/13/08/11/950130811.db2.gz UFROSZGITGLRSD-MRXNPFEDSA-N 1 0 388.516 1.896 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001574738468 950171531 /nfs/dbraw/zinc/17/15/31/950171531.db2.gz FNTQLGZWFZMMID-CYBMUJFWSA-N 1 0 382.472 1.511 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1)c1ccncc1 ZINC001574494664 950174002 /nfs/dbraw/zinc/17/40/02/950174002.db2.gz MLHFMHOQRRRXTE-ZIAGYGMSSA-N 1 0 380.456 1.791 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]C[C@H](O)c1ccccc1F ZINC001574738627 950175954 /nfs/dbraw/zinc/17/59/54/950175954.db2.gz HHVPSGAEVWBYSO-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001576191805 950215246 /nfs/dbraw/zinc/21/52/46/950215246.db2.gz IKLCSUUYDFANTJ-RYUDHWBXSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)CC(C)(C)C ZINC001574496539 950215514 /nfs/dbraw/zinc/21/55/14/950215514.db2.gz XFTKLAREMYZWBM-PBHICJAKSA-N 1 0 388.516 1.896 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573845275 950217105 /nfs/dbraw/zinc/21/71/05/950217105.db2.gz UONTWOMYJLJBCJ-CYBMUJFWSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576191950 950218641 /nfs/dbraw/zinc/21/86/41/950218641.db2.gz JAYSVBZRZHYTGG-CJNGLKHVSA-N 1 0 380.456 1.478 20 0 GDADRO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573846653 950248257 /nfs/dbraw/zinc/24/82/57/950248257.db2.gz TZKAPASYJZKVNQ-YESZJQIVSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001574497968 950249832 /nfs/dbraw/zinc/24/98/32/950249832.db2.gz HHPBTNYHYZCVIV-SMDDNHRTSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](CC(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCCCC1 ZINC001574497975 950250051 /nfs/dbraw/zinc/25/00/51/950250051.db2.gz HKOQZLFTUXKPJR-UKRRQHHQSA-N 1 0 387.488 1.179 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccncc1F ZINC001574157691 950250517 /nfs/dbraw/zinc/25/05/17/950250517.db2.gz GRFKATIYHOLCMD-GFCCVEGCSA-N 1 0 384.419 1.474 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cnccn1 ZINC001575902067 950251424 /nfs/dbraw/zinc/25/14/24/950251424.db2.gz RXFXBXHSZQXWKV-IAQYHMDHSA-N 1 0 382.403 1.189 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H](C)n1cccn1 ZINC001574157815 950255794 /nfs/dbraw/zinc/25/57/94/950255794.db2.gz JFLDWOPEDPOKFP-KBPBESRZSA-N 1 0 383.460 1.084 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]nc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574741825 950257861 /nfs/dbraw/zinc/25/78/61/950257861.db2.gz DPRQIMZOJGGELT-GFCCVEGCSA-N 1 0 380.456 1.718 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccc(F)nc1 ZINC001574157895 950259069 /nfs/dbraw/zinc/25/90/69/950259069.db2.gz KUQVHLCMVZWDJI-CYBMUJFWSA-N 1 0 384.419 1.474 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001576192684 950259997 /nfs/dbraw/zinc/25/99/97/950259997.db2.gz PYHJYDNWJJAUTD-DZGCQCFKSA-N 1 0 387.488 1.309 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCCO1 ZINC001574158011 950268954 /nfs/dbraw/zinc/26/89/54/950268954.db2.gz MWSUJYUUCSIIMZ-HUUCEWRRSA-N 1 0 387.488 1.586 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cccnc1 ZINC001575903162 950273612 /nfs/dbraw/zinc/27/36/12/950273612.db2.gz YQJDSSBHOHADAR-YVEFUNNKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cscn1 ZINC001575902899 950275033 /nfs/dbraw/zinc/27/50/33/950275033.db2.gz XXUGZWUOPUCBHA-YGRLFVJLSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576193361 950297922 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NHJYHYWMGJDFGN-YVEFUNNKSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cn(C)cn1 ZINC001575907771 950342747 /nfs/dbraw/zinc/34/27/47/950342747.db2.gz QIWBQXDXVJBPPK-XHDPSFHLSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1ccon1 ZINC001575908072 950351641 /nfs/dbraw/zinc/35/16/41/950351641.db2.gz AGHCLKHKDCYLLC-GUYCJALGSA-N 1 0 381.440 1.567 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2ncccc2-c2nn[nH]n2)C1 ZINC001576196227 950353055 /nfs/dbraw/zinc/35/30/55/950353055.db2.gz BFWIPEABTZVQJV-GJZGRUSLSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2ncccc2-c2nn[nH]n2)C1 ZINC001576196436 950359417 /nfs/dbraw/zinc/35/94/17/950359417.db2.gz DMJFQTRQEPMWIZ-CABCVRRESA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CC1CCOCC1 ZINC001575908268 950359729 /nfs/dbraw/zinc/35/97/29/950359729.db2.gz TYJKUANTZOFHSC-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO 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C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001574995404 950509258 /nfs/dbraw/zinc/50/92/58/950509258.db2.gz ZKHUCMBGNSLFCI-BJOHPYRUSA-N 1 0 387.394 1.868 20 0 GDADRO CC1(C(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575608129 950513231 /nfs/dbraw/zinc/51/32/31/950513231.db2.gz NAOUBUSBMZAOIF-XYPYZODXSA-N 1 0 377.399 1.426 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575608756 950517441 /nfs/dbraw/zinc/51/74/41/950517441.db2.gz RINPHZKZGSWQOM-NJSLBKSFSA-N 1 0 388.447 1.417 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C2CC2)CC1 ZINC001576205662 950534698 /nfs/dbraw/zinc/53/46/98/950534698.db2.gz MAFCDDAKQYNEAQ-QGZVFWFLSA-N 1 0 384.488 1.300 20 0 GDADRO CC(C)(C)OCC(=O)NC1CC(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573868289 950537299 /nfs/dbraw/zinc/53/72/99/950537299.db2.gz ATHIBLFMZYCESV-UHFFFAOYSA-N 1 0 390.463 1.805 20 0 GDADRO 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ZINC001573873355 950643677 /nfs/dbraw/zinc/64/36/77/950643677.db2.gz KLBVZQGRGZVNQL-HDJSIYSDSA-N 1 0 376.436 1.558 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573877778 950696013 /nfs/dbraw/zinc/69/60/13/950696013.db2.gz FXZFWPZSTWTWFT-BPLDGKMQSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@H](CNC(=O)c1cc2n(c1)CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575005789 950702710 /nfs/dbraw/zinc/70/27/10/950702710.db2.gz NGJKBWJJBILLLI-CQSZACIVSA-N 1 0 379.468 1.913 20 0 GDADRO C[C@@H]1[C@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575926267 950705717 /nfs/dbraw/zinc/70/57/17/950705717.db2.gz XDDMSROQTOCDGP-IUODEOHRSA-N 1 0 387.463 1.749 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573878471 950710271 /nfs/dbraw/zinc/71/02/71/950710271.db2.gz QCGAFIYJYWCTMN-GZBFAFLISA-N 1 0 390.463 1.255 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ncc(F)cc1F ZINC001575926359 950711360 /nfs/dbraw/zinc/71/13/60/950711360.db2.gz JLRTWDHUGCYSKH-TVQRCGJNSA-N 1 0 386.366 1.072 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574763511 950719226 /nfs/dbraw/zinc/71/92/26/950719226.db2.gz CTCYNNXQOYFAQD-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1ccc(-c2nn[nH]n2)nc1 ZINC001576216594 950737669 /nfs/dbraw/zinc/73/76/69/950737669.db2.gz DUJHHFMTJYFYMD-CJNGLKHVSA-N 1 0 384.488 1.395 20 0 GDADRO CC1(C)CC(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575629394 950739421 /nfs/dbraw/zinc/73/94/21/950739421.db2.gz OAGJZAGOEYCAFV-ZDUSSCGKSA-N 1 0 376.436 1.009 20 0 GDADRO CC1(C)CC(C(=O)N[C@@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C23CCC3)C1 ZINC001575629566 950740897 /nfs/dbraw/zinc/74/08/97/950740897.db2.gz PLHJGLICJKMQQK-HZPDHXFCSA-N 1 0 381.484 1.959 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574764669 950755904 /nfs/dbraw/zinc/75/59/04/950755904.db2.gz VWMRBKKEOAUWCC-NSHDSACASA-N 1 0 392.464 1.345 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncc1 ZINC001575927763 950757284 /nfs/dbraw/zinc/75/72/84/950757284.db2.gz UBENQMPKKWEMPN-CZUORRHYSA-N 1 0 378.440 1.113 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575927819 950759028 /nfs/dbraw/zinc/75/90/28/950759028.db2.gz VBPBUPZNWISZJM-MLGOLLRUSA-N 1 0 390.451 1.671 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574764799 950759794 /nfs/dbraw/zinc/75/97/94/950759794.db2.gz YRQOYOSVWIYKQE-SNVBAGLBSA-N 1 0 384.469 1.590 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cc1ccccc1F ZINC001575927857 950761064 /nfs/dbraw/zinc/76/10/64/950761064.db2.gz VIMHPAWLESYIDI-BLLLJJGKSA-N 1 0 381.415 1.467 20 0 GDADRO CC(C)c1ncncc1C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574764779 950761640 /nfs/dbraw/zinc/76/16/40/950761640.db2.gz YDHJUKGLHUINHA-LBPRGKRZSA-N 1 0 381.444 1.170 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cnn(C)c1 ZINC001574520995 950762960 /nfs/dbraw/zinc/76/29/60/950762960.db2.gz CDFOGYSZBVILJF-ZIAGYGMSSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](CN(C)C(=O)c1scnc1C1CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574765440 950788811 /nfs/dbraw/zinc/78/88/11/950788811.db2.gz CIFREHIQBVWUKX-SNVBAGLBSA-N 1 0 384.469 1.590 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574522807 950797474 /nfs/dbraw/zinc/79/74/74/950797474.db2.gz LCJMWUDKGMPZNA-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1cn[nH]n1 ZINC001574522819 950798733 /nfs/dbraw/zinc/79/87/33/950798733.db2.gz LDBBNVAUORAAAW-QWRGUYRKSA-N 1 0 389.489 1.052 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1c[nH]cn1 ZINC001574523463 950814497 /nfs/dbraw/zinc/81/44/97/950814497.db2.gz NUZMFUUIWNJQSX-NWDGAFQWSA-N 1 0 386.435 1.345 20 0 GDADRO CC1(C)CC(C[NH2+]CC2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001575638414 950831674 /nfs/dbraw/zinc/83/16/74/950831674.db2.gz BUEPVEUHDNWNQO-UHFFFAOYSA-N 1 0 387.488 1.188 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cn1cccn1 ZINC001574523858 950833798 /nfs/dbraw/zinc/83/37/98/950833798.db2.gz RLBDQVLVOXIKTH-QWHCGFSZSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576220559 950837367 /nfs/dbraw/zinc/83/73/67/950837367.db2.gz RMYPZZLWKCJTMW-FZMZJTMJSA-N 1 0 376.411 1.849 20 0 GDADRO C[C@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001575934299 950857708 /nfs/dbraw/zinc/85/77/08/950857708.db2.gz RAWSQRGAQKJCOE-XHDPSFHLSA-N 1 0 388.451 1.286 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnsn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574767602 950860978 /nfs/dbraw/zinc/86/09/78/950860978.db2.gz SVEAYTVYBYGSTK-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1ccon1 ZINC001574524738 950870611 /nfs/dbraw/zinc/87/06/11/950870611.db2.gz ZAGJHQUCTTXVKD-RYUDHWBXSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cccc(=O)[nH]1 ZINC001574527704 950901282 /nfs/dbraw/zinc/90/12/82/950901282.db2.gz GCEADXDKOMGEAC-GHMZBOCLSA-N 1 0 387.469 1.716 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnccn1 ZINC001574527842 950911331 /nfs/dbraw/zinc/91/13/31/950911331.db2.gz HYAWVEMKXOZHAZ-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO CC(C)c1cnc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001574527902 950915855 /nfs/dbraw/zinc/91/58/55/950915855.db2.gz IJNVXJJEBUYDJT-RYUDHWBXSA-N 1 0 386.460 1.993 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCCO1 ZINC001574771337 950916113 /nfs/dbraw/zinc/91/61/13/950916113.db2.gz BPWOKUFDKVLJFJ-BLLLJJGKSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](C[N@H+](C)CCOc1cccc(F)c1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574771816 950943117 /nfs/dbraw/zinc/94/31/17/950943117.db2.gz KTEOWGCABRRPNF-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ncccn1 ZINC001574529077 950945280 /nfs/dbraw/zinc/94/52/80/950945280.db2.gz PRXJZFNSNBEWLJ-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576229426 950971153 /nfs/dbraw/zinc/97/11/53/950971153.db2.gz MMFISWLMNCIEOJ-UKRRQHHQSA-N 1 0 384.488 1.110 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cncnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574530177 950971360 /nfs/dbraw/zinc/97/13/60/950971360.db2.gz SVZNCROFKWHKGL-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576229865 950984517 /nfs/dbraw/zinc/98/45/17/950984517.db2.gz OMZKMJJNKCVCKX-CZUORRHYSA-N 1 0 381.484 1.913 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ncccn1 ZINC001574530691 950992399 /nfs/dbraw/zinc/99/23/99/950992399.db2.gz VTKOQLWFGXOPFH-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)CC[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CCO1 ZINC001575938938 950995034 /nfs/dbraw/zinc/99/50/34/950995034.db2.gz NTRMTJUYAQUVDP-ZIAGYGMSSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CCO1 ZINC001575938931 950996460 /nfs/dbraw/zinc/99/64/60/950996460.db2.gz NTRMTJUYAQUVDP-KBPBESRZSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cccc(=O)[nH]1 ZINC001574530789 950997773 /nfs/dbraw/zinc/99/77/73/950997773.db2.gz XEBPMQPWTFFJAF-STQMWFEESA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CO1 ZINC001575939084 951001208 /nfs/dbraw/zinc/00/12/08/951001208.db2.gz OUIREGFGGYLZJL-STQMWFEESA-N 1 0 392.529 1.927 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Cl)cc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575023305 951078215 /nfs/dbraw/zinc/07/82/15/951078215.db2.gz MNGGBDJFBFJZRB-VIFPVBQESA-N 1 0 375.795 1.707 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575023877 951086092 /nfs/dbraw/zinc/08/60/92/951086092.db2.gz RHTMDZRSPGPSHX-VIFPVBQESA-N 1 0 377.861 1.885 20 0 GDADRO C[C@H](CNC(=O)c1ccc2c(c1)COC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575024345 951100990 /nfs/dbraw/zinc/10/09/90/951100990.db2.gz BKGZYZJCCAWBEI-CYBMUJFWSA-N 1 0 378.436 1.805 20 0 GDADRO C[C@H](CNC(=O)c1ccc(N(C)C)cc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575024686 951111543 /nfs/dbraw/zinc/11/15/43/951111543.db2.gz KRUKHCNIPSWPCP-CQSZACIVSA-N 1 0 379.468 1.841 20 0 GDADRO C[C@H](CNC(=O)c1cccc(-c2nn[nH]n2)c1Br)[NH+]1CCCC1 ZINC001575026676 951146330 /nfs/dbraw/zinc/14/63/30/951146330.db2.gz MAAZLQCGKPXJCQ-SNVBAGLBSA-N 1 0 379.262 1.843 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1OCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575029939 951190888 /nfs/dbraw/zinc/19/08/88/951190888.db2.gz YVIZGUSVDQYDEU-LLVKDONJSA-N 1 0 384.465 1.771 20 0 GDADRO C[C@H](CNC(=O)c1ccnc2ccnn21)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575034038 951237813 /nfs/dbraw/zinc/23/78/13/951237813.db2.gz HVDXSHRAYFTUPL-CYBMUJFWSA-N 1 0 391.439 1.160 20 0 GDADRO C[C@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575034446 951246969 /nfs/dbraw/zinc/24/69/69/951246969.db2.gz NDMUGIGUXWFVDI-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575035979 951286134 /nfs/dbraw/zinc/28/61/34/951286134.db2.gz NUMMVCICVCRJJB-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](CNC(=O)c1ccsn1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575038919 951326637 /nfs/dbraw/zinc/32/66/37/951326637.db2.gz NEIFHEXMZAORNZ-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575040444 951342245 /nfs/dbraw/zinc/34/22/45/951342245.db2.gz YEKUNSWSXKBLGT-GFCCVEGCSA-N 1 0 383.460 1.121 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575042435 951363732 /nfs/dbraw/zinc/36/37/32/951363732.db2.gz JMRGQMDDPQHAAO-GFCCVEGCSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)o1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575044044 951408383 /nfs/dbraw/zinc/40/83/83/951408383.db2.gz OEIZBSNDEMGCQQ-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)o1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575044046 951408953 /nfs/dbraw/zinc/40/89/53/951408953.db2.gz OEIZBSNDEMGCQQ-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCC2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575045422 951428436 /nfs/dbraw/zinc/42/84/36/951428436.db2.gz CDKYMQRYMLBOGR-LLVKDONJSA-N 1 0 384.419 1.057 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575046941 951450775 /nfs/dbraw/zinc/45/07/75/951450775.db2.gz VJCGXAKKEMOUKZ-CYBMUJFWSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575054103 951486448 /nfs/dbraw/zinc/48/64/48/951486448.db2.gz VQQRDKBNSOATFO-CYBMUJFWSA-N 1 0 382.472 1.726 20 0 GDADRO C[C@H](CNC(=O)c1cnn2c1CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575055371 951503648 /nfs/dbraw/zinc/50/36/48/951503648.db2.gz RWBABGFEVCJEPZ-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1C(F)(F)F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067856 951623027 /nfs/dbraw/zinc/62/30/27/951623027.db2.gz PSTKPQROWIZOLA-SECBINFHSA-N 1 0 392.345 1.328 20 0 GDADRO C[C@@H](CNC(=O)c1noc2c1CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575067779 951623870 /nfs/dbraw/zinc/62/38/70/951623870.db2.gz YUIZSMUXPJZCIJ-LBPRGKRZSA-N 1 0 381.440 1.642 20 0 GDADRO C[C@H](CNC(=O)c1scnc1C(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575071034 951656467 /nfs/dbraw/zinc/65/64/67/951656467.db2.gz XJFSUIODTBZUBM-SNVBAGLBSA-N 1 0 386.485 1.668 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001575077451 951669000 /nfs/dbraw/zinc/66/90/00/951669000.db2.gz DFUGXRNBLIYPLB-XDTLVQLUSA-N 1 0 382.390 1.844 20 0 GDADRO C[C@H](C[NH2+]C[C@H](O)c1ccccc1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575077571 951670585 /nfs/dbraw/zinc/67/05/85/951670585.db2.gz GSCBTBMPAIRUGR-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](CNC(=O)CCn1ccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078953 951686107 /nfs/dbraw/zinc/68/61/07/951686107.db2.gz BHVARXSUTSSUIW-ZDUSSCGKSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(=O)[nH]1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079062 951687519 /nfs/dbraw/zinc/68/75/19/951687519.db2.gz PDTOWMGOXNDPNC-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@H](O)C1CCCCC1 ZINC001575079818 951697707 /nfs/dbraw/zinc/69/77/07/951697707.db2.gz OYBSELSVTHVGOA-WBMJQRKESA-N 1 0 375.477 1.092 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575080095 951704345 /nfs/dbraw/zinc/70/43/45/951704345.db2.gz URQUYPNXQMVYGZ-DJJJIMSYSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080468 951710167 /nfs/dbraw/zinc/71/01/67/951710167.db2.gz MNLGLTQWQNPIRI-CYBMUJFWSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](CNC(=O)c1ccncc1F)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080759 951714682 /nfs/dbraw/zinc/71/46/82/951714682.db2.gz ZFQCWLMUVAPEOQ-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)c1cc(F)c[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081647 951725220 /nfs/dbraw/zinc/72/52/20/951725220.db2.gz RDJTYDREMVHXKN-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO C[C@H](CNC(=O)COc1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088496 951739856 /nfs/dbraw/zinc/73/98/56/951739856.db2.gz AIHUSWXUNCISSL-AWEZNQCLSA-N 1 0 381.440 1.183 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001575088552 951740165 /nfs/dbraw/zinc/74/01/65/951740165.db2.gz BGDWTPYMFHNWNK-FQEVSTJZSA-N 1 0 379.468 1.812 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1n[nH]cc1F ZINC001575088755 951742467 /nfs/dbraw/zinc/74/24/67/951742467.db2.gz CHUAYSJTXASULO-SECBINFHSA-N 1 0 376.371 1.118 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001575088742 951742968 /nfs/dbraw/zinc/74/29/68/951742968.db2.gz BYGKFIJEYLSWEE-QGZVFWFLSA-N 1 0 386.485 1.269 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089471 951749344 /nfs/dbraw/zinc/74/93/44/951749344.db2.gz FYVQXSREGVZRNG-ZIAGYGMSSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089465 951749613 /nfs/dbraw/zinc/74/96/13/951749613.db2.gz FYVQXSREGVZRNG-KBPBESRZSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)COC1CCCC1 ZINC001575090672 951763723 /nfs/dbraw/zinc/76/37/23/951763723.db2.gz LAQRAAJJTSRRAA-ZDUSSCGKSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)n1cccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091102 951768969 /nfs/dbraw/zinc/76/89/69/951768969.db2.gz PCCLKIASSGIHPL-STQMWFEESA-N 1 0 386.435 1.305 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1ncoc1C1CC1 ZINC001575091557 951779234 /nfs/dbraw/zinc/77/92/34/951779234.db2.gz VCBOOLMCEYYVPJ-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)Cn1cc(Cl)cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092267 951793178 /nfs/dbraw/zinc/79/31/78/951793178.db2.gz ZWIVZWFKJGXUBU-GFCCVEGCSA-N 1 0 388.863 1.259 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1ccncc1 ZINC001575093022 951797310 /nfs/dbraw/zinc/79/73/10/951797310.db2.gz HCMCQAVXONTLRS-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1Cl)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094411 951804003 /nfs/dbraw/zinc/80/40/03/951804003.db2.gz NHXDFQFQPBNNTF-LLVKDONJSA-N 1 0 388.863 1.409 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(Cl)n1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095074 951809090 /nfs/dbraw/zinc/80/90/90/951809090.db2.gz QUQRQPZZYCQQPV-LLVKDONJSA-N 1 0 388.863 1.409 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)no1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096097 951817190 /nfs/dbraw/zinc/81/71/90/951817190.db2.gz ZCHDCDVHBKFRKX-JTQLQIEISA-N 1 0 375.820 1.664 20 0 GDADRO C[C@@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099363 951831622 /nfs/dbraw/zinc/83/16/22/951831622.db2.gz KPQUCIHXVWFYPO-OLZOCXBDSA-N 1 0 378.502 1.587 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099604 951836789 /nfs/dbraw/zinc/83/67/89/951836789.db2.gz NTQPFFPNYHXDAX-LBPRGKRZSA-N 1 0 378.502 1.729 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC001575100096 951842798 /nfs/dbraw/zinc/84/27/98/951842798.db2.gz QQQBCSIQCKNNOR-GFCCVEGCSA-N 1 0 388.501 1.861 20 0 GDADRO C[C@H](CNC(=O)Cc1cncs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100905 951848940 /nfs/dbraw/zinc/84/89/40/951848940.db2.gz WNWJZAKGCSAUAB-JTQLQIEISA-N 1 0 377.499 1.469 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1Cc2cccnc2C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104447 951886348 /nfs/dbraw/zinc/88/63/48/951886348.db2.gz CSSFWTUGCCDDOG-KBXCAEBGSA-N 1 0 391.479 1.519 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104456 951886386 /nfs/dbraw/zinc/88/63/86/951886386.db2.gz CVBXIEXTPNAXBB-OAHLLOKOSA-N 1 0 380.452 1.788 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc2c(c1)COC2)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575105173 951890548 /nfs/dbraw/zinc/89/05/48/951890548.db2.gz HLLCPYPFWXHREG-GFCCVEGCSA-N 1 0 381.440 1.475 20 0 GDADRO C[C@@H](CNC(=O)CCc1cscn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105648 951898563 /nfs/dbraw/zinc/89/85/63/951898563.db2.gz MBZCOJHWZDMYTF-CYBMUJFWSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575105840 951901505 /nfs/dbraw/zinc/90/15/05/951901505.db2.gz OLHIUUZKAYIACQ-OCCSQVGLSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1cscn1 ZINC001575107160 951914647 /nfs/dbraw/zinc/91/46/47/951914647.db2.gz AGNLBWARLZCVKE-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1cscn1 ZINC001575107159 951915686 /nfs/dbraw/zinc/91/56/86/951915686.db2.gz AGNLBWARLZCVKE-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107330 951916811 /nfs/dbraw/zinc/91/68/11/951916811.db2.gz CWEXPMAVBVWJLS-GFCCVEGCSA-N 1 0 380.456 1.623 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107911 951920851 /nfs/dbraw/zinc/92/08/51/951920851.db2.gz ILIJMRDJDBPUTG-ZOCIIQOWSA-N 1 0 398.511 1.771 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109270 951930640 /nfs/dbraw/zinc/93/06/40/951930640.db2.gz QPJOERFBANZHRR-MDASCCDHSA-N 1 0 391.479 1.907 20 0 GDADRO 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ZINC001575121522 951996168 /nfs/dbraw/zinc/99/61/68/951996168.db2.gz FULUSHAROUNYQN-CQSZACIVSA-N 1 0 386.504 1.785 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[nH]n2)nc1 ZINC001575127599 952058960 /nfs/dbraw/zinc/05/89/60/952058960.db2.gz YUQSDTQWIRPDEV-YOEHRIQHSA-N 1 0 386.504 1.783 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCc1ccccc1F ZINC001575147404 952199598 /nfs/dbraw/zinc/19/95/98/952199598.db2.gz SLYCCLVSQMZDDA-CYBMUJFWSA-N 1 0 383.431 1.714 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575166273 952323311 /nfs/dbraw/zinc/32/33/11/952323311.db2.gz UKFIGCGOXIXQLE-NWDGAFQWSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001575175386 952385082 /nfs/dbraw/zinc/38/50/82/952385082.db2.gz CVYXVQPAXKSVTA-AWEZNQCLSA-N 1 0 392.529 1.606 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575196878 952478270 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WMGVVOOYZZWUGM-SRVKXCTJSA-N 1 0 377.399 1.426 20 0 GDADRO CC(F)(F)C(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCCO1 ZINC001575211612 952548018 /nfs/dbraw/zinc/54/80/18/952548018.db2.gz WGYHVCJPUTXXFJ-AWEZNQCLSA-N 1 0 380.399 1.229 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)nc1C ZINC001571127155 952551484 /nfs/dbraw/zinc/55/14/84/952551484.db2.gz AHLLQEAKPVXETM-KRWDZBQOSA-N 1 0 377.452 1.883 20 0 GDADRO CC(F)(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)CC[C@@H]2C1 ZINC001575212564 952553618 /nfs/dbraw/zinc/55/36/18/952553618.db2.gz JWDAQQSRFGZZEY-OCCSQVGLSA-N 1 0 376.411 1.802 20 0 GDADRO O=C(CCc1ccccc1)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571127375 952553792 /nfs/dbraw/zinc/55/37/92/952553792.db2.gz FQVISKYURQYJIG-MRXNPFEDSA-N 1 0 377.452 1.577 20 0 GDADRO O=C(CCc1ccncc1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571128386 952566074 /nfs/dbraw/zinc/56/60/74/952566074.db2.gz SDRDIOFONALACQ-SFHVURJKSA-N 1 0 377.452 1.585 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575215047 952568327 /nfs/dbraw/zinc/56/83/27/952568327.db2.gz SCHAWZOOOYCTQQ-ZDUSSCGKSA-N 1 0 382.415 1.115 20 0 GDADRO Cc1ccncc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571128602 952568359 /nfs/dbraw/zinc/56/83/59/952568359.db2.gz VAXVHCIJPSCPLW-QGZVFWFLSA-N 1 0 377.452 1.965 20 0 GDADRO Cc1ccc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571128595 952568865 /nfs/dbraw/zinc/56/88/65/952568865.db2.gz UZTMYMMOJICMRD-QGZVFWFLSA-N 1 0 377.452 1.503 20 0 GDADRO O=C(Cc1cccnc1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571128932 952571988 /nfs/dbraw/zinc/57/19/88/952571988.db2.gz YTOJQGASXXUPCB-QGZVFWFLSA-N 1 0 377.452 1.585 20 0 GDADRO Cc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)n1 ZINC001571133978 952584169 /nfs/dbraw/zinc/58/41/69/952584169.db2.gz ALENTVFJEDUPLK-INIZCTEOSA-N 1 0 378.440 1.278 20 0 GDADRO CN(C)c1ccc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001571134428 952590793 /nfs/dbraw/zinc/59/07/93/952590793.db2.gz GDKWSFOLWMTSJD-AWEZNQCLSA-N 1 0 378.440 1.076 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cncnc1 ZINC001571134700 952594383 /nfs/dbraw/zinc/59/43/83/952594383.db2.gz JVKPYNIBRHSVMF-GUYCJALGSA-N 1 0 378.440 1.440 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571134899 952597630 /nfs/dbraw/zinc/59/76/30/952597630.db2.gz NAGCLBLHMJRWIW-OAHLLOKOSA-N 1 0 378.440 1.251 20 0 GDADRO Cc1cncc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)c1 ZINC001571135405 952603940 /nfs/dbraw/zinc/60/39/40/952603940.db2.gz WWIWMTIOUVJILE-CJNGLKHVSA-N 1 0 378.440 1.350 20 0 GDADRO COc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571136798 952616441 /nfs/dbraw/zinc/61/64/41/952616441.db2.gz WHFBFHBEWVLSQK-MRXNPFEDSA-N 1 0 378.436 1.880 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC(C[NH2+]CC2CC(F)(F)C2)CC1 ZINC001571139114 952618948 /nfs/dbraw/zinc/61/89/48/952618948.db2.gz CDEWCLRYBWMGBY-UHFFFAOYSA-N 1 0 379.415 1.682 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC001571140474 952625379 /nfs/dbraw/zinc/62/53/79/952625379.db2.gz AFXAPSHXIIUMQE-IBGZPJMESA-N 1 0 378.440 1.328 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1ncccc1O ZINC001571140385 952625441 /nfs/dbraw/zinc/62/54/41/952625441.db2.gz BXQPETJDBZRTBH-HNNXBMFYSA-N 1 0 379.424 1.362 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001571140678 952627634 /nfs/dbraw/zinc/62/76/34/952627634.db2.gz RYQMRXRJZIWOBM-UTUOFQBUSA-N 1 0 379.415 1.823 20 0 GDADRO Cc1ccc([C@H](C)C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)o1 ZINC001571141229 952631396 /nfs/dbraw/zinc/63/13/96/952631396.db2.gz IRMPJJDKKLITEI-HVOFVXBASA-N 1 0 379.424 1.518 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)[C@H](C)C(C)(F)F)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571141227 952631436 /nfs/dbraw/zinc/63/14/36/952631436.db2.gz WMUQRHRKVRXOKE-OLUVUFQESA-N 1 0 379.415 1.542 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001571141764 952636078 /nfs/dbraw/zinc/63/60/78/952636078.db2.gz MFMGECLLSORWPD-WBMJQRKESA-N 1 0 379.424 1.360 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571142299 952639632 /nfs/dbraw/zinc/63/96/32/952639632.db2.gz OOFMTPORKBMWDZ-GXTWGEPZSA-N 1 0 378.502 1.824 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C12CCC2)c1ccon1 ZINC001571142204 952639881 /nfs/dbraw/zinc/63/98/81/952639881.db2.gz RIICAYDZOPVVHY-CVEARBPZSA-N 1 0 379.424 1.686 20 0 GDADRO O=C(c1cc[nH]c1)N1CCC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571142314 952640034 /nfs/dbraw/zinc/64/00/34/952640034.db2.gz OVODWEGQQZHAMX-LJQANCHMSA-N 1 0 378.440 1.723 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cn2c(n1)CCC2 ZINC001571142494 952642948 /nfs/dbraw/zinc/64/29/48/952642948.db2.gz RYLCQJOAAVJKEW-OAHLLOKOSA-N 1 0 378.440 1.014 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1conc1C1CC1 ZINC001571146795 952652945 /nfs/dbraw/zinc/65/29/45/952652945.db2.gz CKCALVHHKQOMAJ-HDJSIYSDSA-N 1 0 379.424 1.783 20 0 GDADRO Cc1ccn(C)c1C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571151102 952672404 /nfs/dbraw/zinc/67/24/04/952672404.db2.gz LMIGQSXARVIPJH-UHFFFAOYSA-N 1 0 379.468 1.812 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571151077 952672603 /nfs/dbraw/zinc/67/26/03/952672603.db2.gz KSFBFQREWRYOTC-MRXNPFEDSA-N 1 0 379.468 1.879 20 0 GDADRO C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001571151342 952674417 /nfs/dbraw/zinc/67/44/17/952674417.db2.gz PFTNOCRGXBHXJW-NXVRBGIVSA-N 1 0 379.468 1.914 20 0 GDADRO Cc1cc(N2C[C@H](NC(=O)c3cncnc3)C(C)(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571156038 952700862 /nfs/dbraw/zinc/70/08/62/952700862.db2.gz BIXQAKNQCAVSPY-HNNXBMFYSA-N 1 0 379.428 1.005 20 0 GDADRO Cc1cc(N2C[C@@H](NC(=O)c3cnccn3)CC[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571156586 952702544 /nfs/dbraw/zinc/70/25/44/952702544.db2.gz DLTRFMVEHNBCNF-STQMWFEESA-N 1 0 379.428 1.147 20 0 GDADRO Cc1ncoc1C(=O)N1C[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571159468 952720001 /nfs/dbraw/zinc/72/00/01/952720001.db2.gz VOLOTHMLHUHFKG-BETUJISGSA-N 1 0 380.412 1.075 20 0 GDADRO O=C(NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ocnc1C1CC1 ZINC001571160230 952723762 /nfs/dbraw/zinc/72/37/62/952723762.db2.gz FGVYQVRBXLKBNO-LLVKDONJSA-N 1 0 380.412 1.383 20 0 GDADRO C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001571165422 952751353 /nfs/dbraw/zinc/75/13/53/952751353.db2.gz CWJKIMDBHYUNKI-PBHICJAKSA-N 1 0 380.456 1.405 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165614 952753044 /nfs/dbraw/zinc/75/30/44/952753044.db2.gz GXESOMCDBBWNGC-DLBZAZTESA-N 1 0 380.456 1.302 20 0 GDADRO CCc1[nH]ccc1C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571167222 952771275 /nfs/dbraw/zinc/77/12/75/952771275.db2.gz YUNJFEXCSWHGDI-ZDUSSCGKSA-N 1 0 380.456 1.859 20 0 GDADRO C[C@H]1CN(C(=O)c2ccnn2C)CC[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571167199 952771506 /nfs/dbraw/zinc/77/15/06/952771506.db2.gz YAKBOVPSRDOOHC-BBRMVZONSA-N 1 0 380.456 1.241 20 0 GDADRO CCn1cnc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571169340 952772394 /nfs/dbraw/zinc/77/23/94/952772394.db2.gz ACYVNVOAQACLGS-HNNXBMFYSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1c[nH]nc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571169474 952773323 /nfs/dbraw/zinc/77/33/23/952773323.db2.gz DQZDJVPTLCJIQF-HNNXBMFYSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1nc(C(=O)N2C[C@H](C)[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c[nH]1 ZINC001571169440 952773760 /nfs/dbraw/zinc/77/37/60/952773760.db2.gz COCQZMKAQLUMST-BLLLJJGKSA-N 1 0 380.456 1.396 20 0 GDADRO Cn1cnc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571169512 952774623 /nfs/dbraw/zinc/77/46/23/952774623.db2.gz FLGYXSJEOPCCPY-AWEZNQCLSA-N 1 0 380.456 1.194 20 0 GDADRO Cc1cncc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)c1 ZINC001571169636 952776128 /nfs/dbraw/zinc/77/61/28/952776128.db2.gz IWRICBHLSBFOKI-DZGCQCFKSA-N 1 0 380.456 1.396 20 0 GDADRO CCn1cccc1C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571169620 952776414 /nfs/dbraw/zinc/77/64/14/952776414.db2.gz IHOFHGJOJVZCNZ-UHFFFAOYSA-N 1 0 380.456 1.872 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571169720 952778240 /nfs/dbraw/zinc/77/82/40/952778240.db2.gz LEQIUSKPAVIZIC-ZIAGYGMSSA-N 1 0 380.456 1.232 20 0 GDADRO Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)[nH]1 ZINC001571169732 952778651 /nfs/dbraw/zinc/77/86/51/952778651.db2.gz LJSYPAZGCACRQF-CQSZACIVSA-N 1 0 380.456 1.914 20 0 GDADRO CCn1cccc1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001571169929 952780187 /nfs/dbraw/zinc/78/01/87/952780187.db2.gz QXHRVVABOACJTK-ZFWWWQNUSA-N 1 0 380.456 1.529 20 0 GDADRO Cc1cncn1CC(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170052 952782648 /nfs/dbraw/zinc/78/26/48/952782648.db2.gz RLWVYXNTJUUJTC-UHFFFAOYSA-N 1 0 380.456 1.056 20 0 GDADRO Cc1ccncc1C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](C)C1 ZINC001571170129 952783905 /nfs/dbraw/zinc/78/39/05/952783905.db2.gz TVVZTVQKTMRHOB-ZFWWWQNUSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1c[nH]c(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571170617 952787062 /nfs/dbraw/zinc/78/70/62/952787062.db2.gz XGUCFKOMDNNNDK-LRDDRELGSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1ccn(C)c1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571170886 952789348 /nfs/dbraw/zinc/78/93/48/952789348.db2.gz YPUYMFRXANWLDR-ZIAGYGMSSA-N 1 0 380.456 1.436 20 0 GDADRO CCn1nccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571170934 952790427 /nfs/dbraw/zinc/79/04/27/952790427.db2.gz ZWRJLIYBJFYNAB-MRXNPFEDSA-N 1 0 380.456 1.430 20 0 GDADRO Cc1cc(NC[C@H]2CCCCN2C(=O)c2ccn(C)c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571170912 952790911 /nfs/dbraw/zinc/79/09/11/952790911.db2.gz ZGRQRVLQAKAOPP-OAHLLOKOSA-N 1 0 380.456 1.437 20 0 GDADRO Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C ZINC001571172074 952801749 /nfs/dbraw/zinc/80/17/49/952801749.db2.gz LONUUCBYVOJIII-LRDDRELGSA-N 1 0 380.456 1.681 20 0 GDADRO Cn1ccc(C(=O)N2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC001571172290 952805550 /nfs/dbraw/zinc/80/55/50/952805550.db2.gz SEBWSHMRLXGHEA-UHFFFAOYSA-N 1 0 380.456 1.242 20 0 GDADRO Cc1cccc(F)c1C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571178481 952841672 /nfs/dbraw/zinc/84/16/72/952841672.db2.gz KEFZOLBQOBUFNT-LRDDRELGSA-N 1 0 381.415 1.704 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@H]2C)o1 ZINC001571179394 952853884 /nfs/dbraw/zinc/85/38/84/952853884.db2.gz CZYMHPDOIRXGLI-SJKOYZFVSA-N 1 0 381.440 1.485 20 0 GDADRO Cc1ccoc1CC(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571179563 952854303 /nfs/dbraw/zinc/85/43/03/952854303.db2.gz FRABIHQNPYOTRP-UHFFFAOYSA-N 1 0 381.440 1.539 20 0 GDADRO O=C(Cc1cnoc1)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571179911 952856052 /nfs/dbraw/zinc/85/60/52/952856052.db2.gz KDPRPBNNLQIAEQ-DLBZAZTESA-N 1 0 381.440 1.472 20 0 GDADRO Cc1cc(N2CCN(C(=O)[C@@H](C)Cc3ccco3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571179649 952856812 /nfs/dbraw/zinc/85/68/12/952856812.db2.gz HZJXTYDMQRAVGP-ZDUSSCGKSA-N 1 0 381.440 1.691 20 0 GDADRO Cc1cnoc1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571179969 952857168 /nfs/dbraw/zinc/85/71/68/952857168.db2.gz LGCGWLMWHZVBOB-INIZCTEOSA-N 1 0 381.440 1.948 20 0 GDADRO Cc1ncoc1C(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571181403 952864003 /nfs/dbraw/zinc/86/40/03/952864003.db2.gz WEFLUGHNYUQTED-CVEARBPZSA-N 1 0 381.440 1.851 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001571182692 952867518 /nfs/dbraw/zinc/86/75/18/952867518.db2.gz BRBBCUJYEYCSQS-OAHLLOKOSA-N 1 0 381.440 1.598 20 0 GDADRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cc1 ZINC001571182822 952869551 /nfs/dbraw/zinc/86/95/51/952869551.db2.gz GPARHIZXDUYLML-UHFFFAOYSA-N 1 0 381.440 1.502 20 0 GDADRO COc1cccc(C[NH+]2CC(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1C ZINC001571183231 952875642 /nfs/dbraw/zinc/87/56/42/952875642.db2.gz TZYHEQFRVHTLAD-UHFFFAOYSA-N 1 0 381.440 1.374 20 0 GDADRO CCc1nc(C(=O)N[C@H](C)C2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571183414 952877805 /nfs/dbraw/zinc/87/78/05/952877805.db2.gz ZTPHMISGXNNQBN-GFCCVEGCSA-N 1 0 381.440 1.667 20 0 GDADRO CCCn1nccc1C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571183807 952883564 /nfs/dbraw/zinc/88/35/64/952883564.db2.gz JWHXCQNLQZLZSO-CHWSQXEVSA-N 1 0 381.444 1.005 20 0 GDADRO CCn1cc(C(=O)N2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)c(C)n1 ZINC001571186800 952909407 /nfs/dbraw/zinc/90/94/07/952909407.db2.gz ZUTRHRSKEDSZLI-UHFFFAOYSA-N 1 0 381.444 1.057 20 0 GDADRO Cc1nn[nH]c1C(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571187750 952910503 /nfs/dbraw/zinc/91/05/03/952910503.db2.gz BMWLKTFTXAYPCA-LSDHHAIUSA-N 1 0 381.444 1.124 20 0 GDADRO Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)ncn1 ZINC001571188901 952921901 /nfs/dbraw/zinc/92/19/01/952921901.db2.gz PDJZNIBCPNBJKD-OAHLLOKOSA-N 1 0 381.444 1.078 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)c3ccn[nH]3)C(C)(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189019 952922950 /nfs/dbraw/zinc/92/29/50/952922950.db2.gz PQEIGUUROHUQDX-OAHLLOKOSA-N 1 0 381.444 1.328 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1cccnn1 ZINC001571195484 952976129 /nfs/dbraw/zinc/97/61/29/952976129.db2.gz ANXULAFLGPJLDX-ABAIWWIYSA-N 1 0 382.403 1.189 20 0 GDADRO CN(C[C@@H]1CCN(C(=O)c2cncc(F)c2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571195541 952976956 /nfs/dbraw/zinc/97/69/56/952976956.db2.gz BFLVZUDFPJDLGB-LBPRGKRZSA-N 1 0 382.403 1.394 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC001571195698 952977969 /nfs/dbraw/zinc/97/79/69/952977969.db2.gz DQUPWOCYMPHHSI-NWDGAFQWSA-N 1 0 382.403 1.180 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1ccncn1 ZINC001571197187 952987195 /nfs/dbraw/zinc/98/71/95/952987195.db2.gz UASJPNXFGLWABO-BXUZGUMPSA-N 1 0 382.403 1.189 20 0 GDADRO CCc1ncoc1C(=O)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571199170 952996036 /nfs/dbraw/zinc/99/60/36/952996036.db2.gz MSLYKGIUDLGKLY-GFCCVEGCSA-N 1 0 382.428 1.198 20 0 GDADRO CCc1cc(C(=O)N2C[C@H](C)[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001571199701 953003404 /nfs/dbraw/zinc/00/34/04/953003404.db2.gz ZRSVZFKKBQZBKD-NWDGAFQWSA-N 1 0 382.428 1.054 20 0 GDADRO O=C(c1ncccn1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571200720 953010950 /nfs/dbraw/zinc/01/09/50/953010950.db2.gz KMGOWKXLUYADSD-CQSZACIVSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1nc(C(=O)N[C@H](C)C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)co1 ZINC001571200768 953012338 /nfs/dbraw/zinc/01/23/38/953012338.db2.gz FZZVMQLUSBQBEN-LLVKDONJSA-N 1 0 382.428 1.593 20 0 GDADRO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C)o1 ZINC001571202460 953025647 /nfs/dbraw/zinc/02/56/47/953025647.db2.gz XOIWRWZKDAITJC-DOMZBBRYSA-N 1 0 382.424 1.861 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC001571202423 953025956 /nfs/dbraw/zinc/02/59/56/953025956.db2.gz WKCSMJNHENKMGJ-INIZCTEOSA-N 1 0 382.424 1.402 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)c3conc3C(C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571202632 953028387 /nfs/dbraw/zinc/02/83/87/953028387.db2.gz WQXFODGAZZOCTP-LBPRGKRZSA-N 1 0 382.428 1.690 20 0 GDADRO Cc1nocc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001571204616 953030837 /nfs/dbraw/zinc/03/08/37/953030837.db2.gz AMYJSCIWNCXSIX-GLQYFDAESA-N 1 0 382.428 1.274 20 0 GDADRO O=C(N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnon1 ZINC001571204942 953035102 /nfs/dbraw/zinc/03/51/02/953035102.db2.gz DLJNGQPBBZSILP-GJZGRUSLSA-N 1 0 382.428 1.328 20 0 GDADRO Cc1nocc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571205744 953041075 /nfs/dbraw/zinc/04/10/75/953041075.db2.gz LHRCQVJLTMEXAD-HOTGVXAUSA-N 1 0 382.428 1.370 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@]12C[C@H]1COC2 ZINC001571209816 953067827 /nfs/dbraw/zinc/06/78/27/953067827.db2.gz FQIJUVPEPDLMTL-QKLQHJQFSA-N 1 0 382.468 1.374 20 0 GDADRO O=C(c1ccon1)N1C[C@@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@@H]2C1 ZINC001571217578 953109191 /nfs/dbraw/zinc/10/91/91/953109191.db2.gz NZKIOHMBYJWVOH-OKILXGFUSA-N 1 0 383.387 1.198 20 0 GDADRO CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)c1cocc1C ZINC001571218922 953120640 /nfs/dbraw/zinc/12/06/40/953120640.db2.gz HCSCJLGMXAVHDU-GDBMZVCRSA-N 1 0 383.412 1.105 20 0 GDADRO COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]cc2-c2nn[nH]n2)o1 ZINC001571218978 953121666 /nfs/dbraw/zinc/12/16/66/953121666.db2.gz IOCJYFORFJVDTQ-ZIAGYGMSSA-N 1 0 383.412 1.438 20 0 GDADRO C[C@H]1CN(C(=O)c2ccn(C)c2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571229465 953169928 /nfs/dbraw/zinc/16/99/28/953169928.db2.gz FWABCPHQJAAXOQ-SJCJKPOMSA-N 1 0 383.431 1.595 20 0 GDADRO Cn1ccc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)c1 ZINC001571229534 953170502 /nfs/dbraw/zinc/17/05/02/953170502.db2.gz HUQGZEPGAOWWLM-MRXNPFEDSA-N 1 0 383.431 1.739 20 0 GDADRO Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571229754 953171429 /nfs/dbraw/zinc/17/14/29/953171429.db2.gz METJBHXDBYWEEI-JNSHFYNHSA-N 1 0 383.431 1.941 20 0 GDADRO Cc1[nH]ccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571230328 953176370 /nfs/dbraw/zinc/17/63/70/953176370.db2.gz VJVMLQQXZRICNQ-OAHLLOKOSA-N 1 0 383.431 1.989 20 0 GDADRO O=C(c1ccc[nH]1)N1CCC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571230775 953180707 /nfs/dbraw/zinc/18/07/07/953180707.db2.gz KBDRMKRSQHZMJG-ZDUSSCGKSA-N 1 0 383.431 1.976 20 0 GDADRO C[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571239228 953236999 /nfs/dbraw/zinc/23/69/99/953236999.db2.gz IBKYWGYWHUYERP-SMDDNHRTSA-N 1 0 384.419 1.227 20 0 GDADRO CN(C(=O)c1ccnn1C)C1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571239385 953238641 /nfs/dbraw/zinc/23/86/41/953238641.db2.gz JWYARFQVMYDURS-UHFFFAOYSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)n1cccn1 ZINC001571239439 953239552 /nfs/dbraw/zinc/23/95/52/953239552.db2.gz LUFVHVRGZZKMSX-FPMFFAJLSA-N 1 0 384.419 1.200 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1cn(C)cn1 ZINC001571240090 953246271 /nfs/dbraw/zinc/24/62/71/953246271.db2.gz ZMHHWZKGGRWXIF-FZMZJTMJSA-N 1 0 384.419 1.132 20 0 GDADRO O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1cn[nH]c1 ZINC001571241460 953246785 /nfs/dbraw/zinc/24/67/85/953246785.db2.gz ABVSBPSEUBOGTN-KBPBESRZSA-N 1 0 384.419 1.560 20 0 GDADRO CCc1nocc1C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571242560 953257666 /nfs/dbraw/zinc/25/76/66/953257666.db2.gz JAFOLCLHMYVIED-FZMZJTMJSA-N 1 0 384.444 1.434 20 0 GDADRO CC(C)n1cc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2N(C)C)c(=O)[nH]c1=O ZINC001571243215 953264343 /nfs/dbraw/zinc/26/43/43/953264343.db2.gz ZPGIIYPAIIDMBW-UHFFFAOYSA-N 1 0 384.444 1.066 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571244842 953267666 /nfs/dbraw/zinc/26/76/66/953267666.db2.gz KFAQSDLZLOBKQT-TXEJJXNPSA-N 1 0 384.469 1.438 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1CNC(=O)c1cnccn1 ZINC001571245262 953271665 /nfs/dbraw/zinc/27/16/65/953271665.db2.gz QTHAUUNURKZHMM-VXGBXAGGSA-N 1 0 384.469 1.216 20 0 GDADRO Cc1cc(N[C@@H]2CCCN(C(=O)Cc3cncs3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245806 953276571 /nfs/dbraw/zinc/27/65/71/953276571.db2.gz ZFJGAIQUQJJNIH-GFCCVEGCSA-N 1 0 384.469 1.094 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCN(C(=O)c2cnns2)C1 ZINC001571245834 953277423 /nfs/dbraw/zinc/27/74/23/953277423.db2.gz ZXFOQHAWIYTTLG-CYBMUJFWSA-N 1 0 384.469 1.312 20 0 GDADRO CC1(C)CN(C(=O)c2cnccn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571245848 953278055 /nfs/dbraw/zinc/27/80/55/953278055.db2.gz MZXLIVANSBCNRX-CQSZACIVSA-N 1 0 384.469 1.359 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC001571245962 953278675 /nfs/dbraw/zinc/27/86/75/953278675.db2.gz PLROCEBMSHYONN-SMDDNHRTSA-N 1 0 384.469 1.359 20 0 GDADRO O=C(Cc1cscn1)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571247876 953287618 /nfs/dbraw/zinc/28/76/18/953287618.db2.gz GZHHQALHJDSBGQ-UHFFFAOYSA-N 1 0 384.469 1.033 20 0 GDADRO Cc1cc(F)cc(-c2nn[nH]n2)c1S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC001571248159 953290823 /nfs/dbraw/zinc/29/08/23/953290823.db2.gz MKYNVUSKKWATMX-ZDUSSCGKSA-N 1 0 384.481 1.569 20 0 GDADRO Cc1nsc(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571248254 953291608 /nfs/dbraw/zinc/29/16/08/953291608.db2.gz ORUQYWPLFQPFQZ-NHAGDIPZSA-N 1 0 384.469 1.128 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC001571248421 953293734 /nfs/dbraw/zinc/29/37/34/953293734.db2.gz SXADYUBGSQXDPP-SJLPKXTDSA-N 1 0 384.484 1.716 20 0 GDADRO O=C(C[C@H]1CCCCO1)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571249009 953299688 /nfs/dbraw/zinc/29/96/88/953299688.db2.gz AUXFCNOZRFTNIQ-IAGOWNOFSA-N 1 0 384.484 1.907 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCC(Nc3ccc(-c4nn[nH]n4)nc3)CC2)CC1 ZINC001571249073 953300963 /nfs/dbraw/zinc/30/09/63/953300963.db2.gz CIWNREOHHQQUKF-UHFFFAOYSA-N 1 0 384.488 1.397 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[nH]n2)C1 ZINC001571249410 953304189 /nfs/dbraw/zinc/30/41/89/953304189.db2.gz INMNXNDHSMCVKA-GOEBONIOSA-N 1 0 384.488 1.457 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001571249383 953304363 /nfs/dbraw/zinc/30/43/63/953304363.db2.gz IBAMMBSCZPHDFT-HOCLYGCPSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571249956 953307954 /nfs/dbraw/zinc/30/79/54/953307954.db2.gz MVUBJTDGRWQOKJ-KGLIPLIRSA-N 1 0 384.488 1.252 20 0 GDADRO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001571250470 953311459 /nfs/dbraw/zinc/31/14/59/953311459.db2.gz RTDABKWJKYHDJS-ZWNOBZJWSA-N 1 0 384.444 1.583 20 0 GDADRO CN(CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ncccc1-c1nn[nH]n1 ZINC001571252023 953323104 /nfs/dbraw/zinc/32/31/04/953323104.db2.gz FOMFUMLBADVIMP-MRXNPFEDSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N2CCCN(c3ccc(-c4nn[nH]n4)nc3)CC2)CC[N@@H+]1C ZINC001571252318 953326420 /nfs/dbraw/zinc/32/64/20/953326420.db2.gz KZWVNXHTQMFRAF-GJZGRUSLSA-N 1 0 384.488 1.031 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001571252712 953331846 /nfs/dbraw/zinc/33/18/46/953331846.db2.gz URZVSORVYQEMEK-GOEBONIOSA-N 1 0 384.488 1.221 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)on1 ZINC001571254126 953335671 /nfs/dbraw/zinc/33/56/71/953335671.db2.gz DALBJSZDXDAYBO-CQSZACIVSA-N 1 0 385.403 1.697 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)o1 ZINC001571254058 953336186 /nfs/dbraw/zinc/33/61/86/953336186.db2.gz CQOZCFWMWXGTHI-JOCQHMNTSA-N 1 0 385.403 1.661 20 0 GDADRO CC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN(C(=O)c2cnco2)CC1 ZINC001571254206 953336882 /nfs/dbraw/zinc/33/68/82/953336882.db2.gz DOZYNPCWDVCIEU-UHFFFAOYSA-N 1 0 385.403 1.778 20 0 GDADRO O=C(c1ccc(F)cc1F)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571254400 953339049 /nfs/dbraw/zinc/33/90/49/953339049.db2.gz CTERDGMCAMCTQS-GFCCVEGCSA-N 1 0 385.378 1.679 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571254408 953339118 /nfs/dbraw/zinc/33/91/18/953339118.db2.gz GKBPFEJADADTBD-RISCZKNCSA-N 1 0 385.403 1.492 20 0 GDADRO CN(C(=O)Cc1cnoc1)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571255346 953347871 /nfs/dbraw/zinc/34/78/71/953347871.db2.gz NVHHGEZDCCLNOD-UHFFFAOYSA-N 1 0 385.403 1.316 20 0 GDADRO Cc1cc(C(=O)N2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)[C@@H](C)C2)no1 ZINC001571255404 953348670 /nfs/dbraw/zinc/34/86/70/953348670.db2.gz ONMISYFGPOCJOD-QFYYESIMSA-N 1 0 385.403 1.553 20 0 GDADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC000874416308 956200340 /nfs/dbraw/zinc/20/03/40/956200340.db2.gz ICQFCRGQKMATEP-UHFFFAOYSA-N 1 0 388.512 1.761 20 0 GDADRO CN(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000874428464 956223765 /nfs/dbraw/zinc/22/37/65/956223765.db2.gz HNJIIXGTZZIWTC-LAQRGFTBSA-N 1 0 380.533 1.828 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001603141887 972232020 /nfs/dbraw/zinc/23/20/20/972232020.db2.gz GHWOMHMKNSJYBN-DLBZAZTESA-N 1 0 378.517 1.696 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](C)[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC001603768316 974217013 /nfs/dbraw/zinc/21/70/13/974217013.db2.gz MZWZGSIISWTKGA-APWZRJJASA-N 1 0 388.512 1.810 20 0 GDADRO O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)C34CCC[NH+](CCC3)C4)cc2)CC1 ZINC000911338730 982361921 /nfs/dbraw/zinc/36/19/21/982361921.db2.gz BNQIOQBBLMKHON-UHFFFAOYSA-N 1 0 386.496 1.708 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001595734578 982375631 /nfs/dbraw/zinc/37/56/31/982375631.db2.gz UISPWPAQALTVTJ-UHFFFAOYSA-N 1 0 391.516 1.747 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589399605 986561686 /nfs/dbraw/zinc/56/16/86/986561686.db2.gz ZYKTYTXEFRNHJS-UYZIEWPDSA-N 1 0 385.508 1.952 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)C[C@H]1C[NH+](C)C ZINC001598246078 991000496 /nfs/dbraw/zinc/00/04/96/991000496.db2.gz DWOMAELZLQCHMC-CHWSQXEVSA-N 1 0 397.907 1.314 20 0 GDADRO C[NH2+]CCN(C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)C(C)C ZINC001598667106 994695264 /nfs/dbraw/zinc/69/52/64/994695264.db2.gz UXBQKXNGJBKYKO-UHFFFAOYSA-N 1 0 377.489 1.355 20 0 GDADRO CNS(=O)(=O)Cc1ccc(C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC001598671809 994770172 /nfs/dbraw/zinc/77/01/72/994770172.db2.gz POGJBEPFPNZNEO-UHFFFAOYSA-N 1 0 383.514 1.155 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)cc1 ZINC000873191507 1126119250 /nfs/dbraw/zinc/11/92/50/1126119250.db2.gz NTVZQCUKMDEHFE-OAQYLSRUSA-N 1 0 388.512 1.657 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cn(Cc3cccnc3)nn2)cc1OC ZINC000873192307 1126120393 /nfs/dbraw/zinc/12/03/93/1126120393.db2.gz DBKPSVNQBHKYRY-NRFANRHFSA-N 1 0 397.479 1.822 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2c(C)nn(CCO)c2C)cc1OC ZINC001352862639 1126183668 /nfs/dbraw/zinc/18/36/68/1126183668.db2.gz LMWVLWRXAYRAOG-FQEVSTJZSA-N 1 0 377.485 1.593 20 0 GDADRO CCOC(=O)c1cc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)[nH]n1 ZINC001462564981 1126197810 /nfs/dbraw/zinc/19/78/10/1126197810.db2.gz MEMBHTXGIUBKOH-LJQANCHMSA-N 1 0 377.441 1.687 20 0 GDADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@](CO)([NH2+]Cc2cnc(Cl)s2)C1 ZINC001502577377 1126206278 /nfs/dbraw/zinc/20/62/78/1126206278.db2.gz HSHVXJVHEQNVCM-SCQTYWGTSA-N 1 0 397.928 1.663 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)cc1 ZINC001560580125 1126213467 /nfs/dbraw/zinc/21/34/67/1126213467.db2.gz LDCBUDMKZHVDEY-GOSISDBHSA-N 1 0 382.457 1.565 20 0 GDADRO CCOC(=O)c1nn(C)cc1C[NH2+][C@@](C)(CO)Cc1ccc(OC)c(OC)c1 ZINC001660652391 1126264923 /nfs/dbraw/zinc/26/49/23/1126264923.db2.gz CQBGSLLNKSHHEG-HXUWFJFHSA-N 1 0 391.468 1.697 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)o1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008121855 530548531 /nfs/dbraw/zinc/54/85/31/530548531.db2.gz XKYSUAMUXWZNJJ-UHFFFAOYSA-N 1 0 393.241 1.516 20 0 GDADRO C[NH+]1CCC(NC(=O)NCCNC(=O)c2cccc(Br)c2)CC1 ZINC000158595956 530533845 /nfs/dbraw/zinc/53/38/45/530533845.db2.gz UVAOHVGPUFHKFL-UHFFFAOYSA-N 1 0 383.290 1.572 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)N[C@@H](C[NH3+])C3CC3)CC2=O)ccc1Br ZINC000159183745 530541134 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CSCC[C@H]([NH3+])C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000167246552 530583756 /nfs/dbraw/zinc/58/37/56/530583756.db2.gz KMFWLVDUJAWYDS-HNNXBMFYSA-N 1 0 384.933 1.185 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(F)c(F)cc2I)CCO1 ZINC000163043496 530572968 /nfs/dbraw/zinc/57/29/68/530572968.db2.gz XFJCVJPBQSTVHO-JMCQJSRRSA-N 1 0 396.175 1.758 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000163243834 530575148 /nfs/dbraw/zinc/57/51/48/530575148.db2.gz ICUOQRQZTSHYSC-SMDDNHRTSA-N 1 0 399.289 1.535 20 0 GDADRO CNC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000170782620 530588837 /nfs/dbraw/zinc/58/88/37/530588837.db2.gz FGBWGHZZTGBFJC-SNVBAGLBSA-N 1 0 389.237 1.686 20 0 GDADRO CC[N@H+](CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000171157124 530594859 /nfs/dbraw/zinc/59/48/59/530594859.db2.gz ZNBYSXIWGRSQJG-UHFFFAOYSA-N 1 0 388.921 1.402 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032762201 530609187 /nfs/dbraw/zinc/60/91/87/530609187.db2.gz UDCYYGWARMEQAU-HUUCEWRRSA-N 1 0 385.555 1.815 20 0 GDADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000170725522 530588098 /nfs/dbraw/zinc/58/80/98/530588098.db2.gz BWHFNEUNOJEWDD-GFCCVEGCSA-N 1 0 388.295 1.993 20 0 GDADRO CS(=O)(=O)CCS(=O)(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000173095858 530622985 /nfs/dbraw/zinc/62/29/85/530622985.db2.gz HZCOMFUCHLQJMJ-UHFFFAOYSA-N 1 0 388.555 1.001 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Br ZINC000173125697 530624325 /nfs/dbraw/zinc/62/43/25/530624325.db2.gz PKHZYDOSUHYAIB-ZDUSSCGKSA-N 1 0 390.347 1.672 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000042589892 530629980 /nfs/dbraw/zinc/62/99/80/530629980.db2.gz PWBYQZCZRAQXFB-CQSZACIVSA-N 1 0 384.318 1.970 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000173976835 530640475 /nfs/dbraw/zinc/64/04/75/530640475.db2.gz XPMOYRBJKIHWIR-DZGCQCFKSA-N 1 0 396.329 1.906 20 0 GDADRO CSCC[C@@H]1NC(=S)N(CC2([NH+]3CCCCC3)CCN(C)CC2)C1=O ZINC000172843630 530618404 /nfs/dbraw/zinc/61/84/04/530618404.db2.gz OAPAVEWDEYFXFW-HNNXBMFYSA-N 1 0 384.615 1.775 20 0 GDADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1c[nH]c(=O)c(Br)c1 ZINC000173050394 530622043 /nfs/dbraw/zinc/62/20/43/530622043.db2.gz CKYIMPVZSCYIMZ-UHFFFAOYSA-N 1 0 376.254 1.926 20 0 GDADRO CS(=O)(=O)N1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000051534719 530680228 /nfs/dbraw/zinc/68/02/28/530680228.db2.gz WUWHBEDPLAMETL-UHFFFAOYSA-N 1 0 377.869 1.775 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000174237851 530645453 /nfs/dbraw/zinc/64/54/53/530645453.db2.gz NRSHXOZNPNWFDQ-UHFFFAOYSA-N 1 0 382.258 1.549 20 0 GDADRO COc1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)ccc1Br ZINC000174606632 530651473 /nfs/dbraw/zinc/65/14/73/530651473.db2.gz YRIXHQPANQQJRL-LLVKDONJSA-N 1 0 384.274 1.806 20 0 GDADRO C[C@H]1C[C@H](N(C)C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC[N@@H+]1C ZINC000175105951 530659464 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COc1cc(I)c(C(=O)N2CCC[NH2+]CC2)cc1OC ZINC000178361695 530720165 /nfs/dbraw/zinc/72/01/65/530720165.db2.gz DVPNZPCIXSHUQY-UHFFFAOYSA-N 1 0 390.221 1.744 20 0 GDADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000176781927 530690992 /nfs/dbraw/zinc/69/09/92/530690992.db2.gz MJGVBACTXSTALI-OKILXGFUSA-N 1 0 389.484 1.937 20 0 GDADRO O=C(c1cc(I)c[nH]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000176824934 530692176 /nfs/dbraw/zinc/69/21/76/530692176.db2.gz KQPCJQYBUVYCIH-UHFFFAOYSA-N 1 0 389.237 1.556 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000177606653 530706144 /nfs/dbraw/zinc/70/61/44/530706144.db2.gz GXEUHPMONVRMPQ-WDEREUQCSA-N 1 0 379.935 1.669 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000177727313 530709046 /nfs/dbraw/zinc/70/90/46/530709046.db2.gz JQDPNKVGOPBIEJ-UHFFFAOYSA-N 1 0 384.274 1.998 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1COc2ccc(Br)cc21 ZINC000179371700 530739390 /nfs/dbraw/zinc/73/93/90/530739390.db2.gz 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CN(C(=O)CS(=O)(=O)Cc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000179091934 530734690 /nfs/dbraw/zinc/73/46/90/530734690.db2.gz GZZCAYNZQPKWLI-ZDUSSCGKSA-N 1 0 375.288 1.184 20 0 GDADRO CN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000179077139 530735037 /nfs/dbraw/zinc/73/50/37/530735037.db2.gz PXVHODLLHKLNIB-OAHLLOKOSA-N 1 0 385.917 1.561 20 0 GDADRO O=C1CNC(=O)N1CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000065604465 530754249 /nfs/dbraw/zinc/75/42/49/530754249.db2.gz VPRSIUNMGUNTSW-UHFFFAOYSA-N 1 0 382.258 1.596 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)c1nc2ncc(Br)cn2n1)c1ccccc1 ZINC000065619612 530754640 /nfs/dbraw/zinc/75/46/40/530754640.db2.gz GILVXBQTWRITTB-CYBMUJFWSA-N 1 0 389.257 1.920 20 0 GDADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180045944 530755569 /nfs/dbraw/zinc/75/55/69/530755569.db2.gz YJHAYIWJDULCCU-UHFFFAOYSA-N 1 0 376.201 1.878 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000065974656 530758107 /nfs/dbraw/zinc/75/81/07/530758107.db2.gz 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ZINC000179748705 530749110 /nfs/dbraw/zinc/74/91/10/530749110.db2.gz KLFFPFMFHIEUGX-GFCCVEGCSA-N 1 0 399.289 1.136 20 0 GDADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000067467098 530776464 /nfs/dbraw/zinc/77/64/64/530776464.db2.gz MOEANNSFWILBIT-WFASDCNBSA-N 1 0 379.507 1.961 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000067627726 530778404 /nfs/dbraw/zinc/77/84/04/530778404.db2.gz KDSKRRYAMIKQFD-MRXNPFEDSA-N 1 0 376.567 1.420 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000068080191 530783256 /nfs/dbraw/zinc/78/32/56/530783256.db2.gz STNXRKLMJGNSEZ-OLZOCXBDSA-N 1 0 375.922 1.853 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)[C@H](C)C1 ZINC000181453364 530783480 /nfs/dbraw/zinc/78/34/80/530783480.db2.gz DIYWRXRQHHAINQ-YGRLFVJLSA-N 1 0 391.896 1.929 20 0 GDADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CCN2CCCS2(=O)=O)CC1 ZINC000180504005 530767555 /nfs/dbraw/zinc/76/75/55/530767555.db2.gz OCTXYQGWHFTYRO-UHFFFAOYSA-N 1 0 385.917 1.570 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000070690418 530801649 /nfs/dbraw/zinc/80/16/49/530801649.db2.gz OHYXCOJESBFADQ-HIFRSBDPSA-N 1 0 381.523 1.834 20 0 GDADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCC(F)(F)F)nc1 ZINC000182637012 530802483 /nfs/dbraw/zinc/80/24/83/530802483.db2.gz XHPSKPDBZWGATJ-LLVKDONJSA-N 1 0 379.404 1.785 20 0 GDADRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)CCCS(C)(=O)=O ZINC000077389061 530806749 /nfs/dbraw/zinc/80/67/49/530806749.db2.gz QBUZDWIVRWTSFS-UHFFFAOYSA-N 1 0 376.544 1.335 20 0 GDADRO CC(C)[NH+](CCCNC(=O)NCc1ccc(S(N)(=O)=O)s1)C(C)C ZINC000074833433 530806784 /nfs/dbraw/zinc/80/67/84/530806784.db2.gz WVIABRNNHSVPTN-UHFFFAOYSA-N 1 0 376.548 1.704 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000181674953 530788807 /nfs/dbraw/zinc/78/88/07/530788807.db2.gz OSMSWWKNBMCFEL-QMTHXVAHSA-N 1 0 389.880 1.683 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000068643830 530790158 /nfs/dbraw/zinc/79/01/58/530790158.db2.gz BESQGFBWTWKNJX-SNVBAGLBSA-N 1 0 377.413 1.078 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000182003792 530793481 /nfs/dbraw/zinc/79/34/81/530793481.db2.gz KTDCJLARBVUPKA-UHFFFAOYSA-N 1 0 381.274 1.569 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000182026912 530793591 /nfs/dbraw/zinc/79/35/91/530793591.db2.gz NKAQRTFXPPMLPX-UHFFFAOYSA-N 1 0 381.420 1.394 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000184359956 530827235 /nfs/dbraw/zinc/82/72/35/530827235.db2.gz VLDPYWCCUOYBPJ-ZDUSSCGKSA-N 1 0 387.933 1.499 20 0 GDADRO CC[N@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccc(Cl)s1 ZINC000102685884 530828875 /nfs/dbraw/zinc/82/88/75/530828875.db2.gz ICKOAUIKNBCBLU-UHFFFAOYSA-N 1 0 381.889 1.671 20 0 GDADRO CNC(=O)C1C[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000184785285 530831163 /nfs/dbraw/zinc/83/11/63/530831163.db2.gz MYEOVJRFVOKLBM-NSHDSACASA-N 1 0 377.666 1.520 20 0 GDADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2csc(S(N)(=O)=O)c2)c1 ZINC000103113896 530831865 /nfs/dbraw/zinc/83/18/65/530831865.db2.gz BKVXOMMFDKVJQR-UHFFFAOYSA-N 1 0 381.523 1.908 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000184979288 530834769 /nfs/dbraw/zinc/83/47/69/530834769.db2.gz FVSRRGAPGCRBAH-HNNXBMFYSA-N 1 0 388.555 1.561 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000103449127 530835097 /nfs/dbraw/zinc/83/50/97/530835097.db2.gz JUMWIYGAUMAEQS-UHFFFAOYSA-N 1 0 375.300 1.958 20 0 GDADRO CCN(CCOc1ccc(F)cc1Cl)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000091730002 530809577 /nfs/dbraw/zinc/80/95/77/530809577.db2.gz WIJHVEXDNRMCTC-ZDUSSCGKSA-N 1 0 392.880 1.483 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000183144053 530809898 /nfs/dbraw/zinc/80/98/98/530809898.db2.gz FIFXFYIMZFFUGW-GFCCVEGCSA-N 1 0 391.287 1.656 20 0 GDADRO COc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)nc1Br ZINC000183234831 530811925 /nfs/dbraw/zinc/81/19/25/530811925.db2.gz ZTOGQCJEBMMRAV-GFCCVEGCSA-N 1 0 384.274 1.647 20 0 GDADRO CC1(CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[NH2+]CC1 ZINC000183376407 530813820 /nfs/dbraw/zinc/81/38/20/530813820.db2.gz GPHZLVLSBYNFKK-UHFFFAOYSA-N 1 0 394.269 1.551 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)s1 ZINC000183363867 530813927 /nfs/dbraw/zinc/81/39/27/530813927.db2.gz SPIXNXGYOHMDTQ-QWHCGFSZSA-N 1 0 380.557 1.280 20 0 GDADRO O[C@H](CN1CCOCC1)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183821461 530820885 /nfs/dbraw/zinc/82/08/85/530820885.db2.gz KRGNOOWKWQHHOB-INIZCTEOSA-N 1 0 399.329 1.985 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000183970463 530822775 /nfs/dbraw/zinc/82/27/75/530822775.db2.gz GBFVIQWLPQAYSJ-UHFFFAOYSA-N 1 0 396.289 1.382 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)Cc1ccccc1I ZINC000183975887 530822918 /nfs/dbraw/zinc/82/29/18/530822918.db2.gz ASNCKUZUJOQBIP-UHFFFAOYSA-N 1 0 376.238 1.264 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000183989725 530823230 /nfs/dbraw/zinc/82/32/30/530823230.db2.gz VDSRATGWKLXMEF-LLVKDONJSA-N 1 0 377.254 1.786 20 0 GDADRO CC[C@H](O)CN1CCN(C(=O)c2ccccc2I)CC1 ZINC000106383545 530848005 /nfs/dbraw/zinc/84/80/05/530848005.db2.gz XAXQHBYDNQOKAC-LBPRGKRZSA-N 1 0 388.249 1.820 20 0 GDADRO COCC[N@H+](CCO)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000106385577 530848372 /nfs/dbraw/zinc/84/83/72/530848372.db2.gz DLMRTQYDCGJPAD-GFCCVEGCSA-N 1 0 382.682 1.783 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(c3ncnc4c3c(Br)nn4C)C2)CC1 ZINC000106479291 530848603 /nfs/dbraw/zinc/84/86/03/530848603.db2.gz VJIWWCWQWJEOGO-LBPRGKRZSA-N 1 0 394.321 1.342 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000185997217 530849453 /nfs/dbraw/zinc/84/94/53/530849453.db2.gz SPLRKAIPPCPRME-NSHDSACASA-N 1 0 389.315 1.956 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000106895209 530850605 /nfs/dbraw/zinc/85/06/05/530850605.db2.gz HGEZAPCLMDEHQH-ZDUSSCGKSA-N 1 0 379.448 1.928 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000186322294 530855079 /nfs/dbraw/zinc/85/50/79/530855079.db2.gz PPAAVGUHOYHDIE-CYBMUJFWSA-N 1 0 378.270 1.838 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000107886811 530855228 /nfs/dbraw/zinc/85/52/28/530855228.db2.gz DPXCQCDIKJFWKY-NSHDSACASA-N 1 0 389.315 1.924 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000186809540 530863257 /nfs/dbraw/zinc/86/32/57/530863257.db2.gz YNGMLKZUWMAMMP-LRDDRELGSA-N 1 0 385.917 1.852 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000109805943 530864646 /nfs/dbraw/zinc/86/46/46/530864646.db2.gz WHVBBYOYISHCSM-CYBMUJFWSA-N 1 0 397.317 1.530 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000109848700 530865328 /nfs/dbraw/zinc/86/53/28/530865328.db2.gz RNJYQTJEAJKJEN-NSHDSACASA-N 1 0 382.258 1.242 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000110815524 530870246 /nfs/dbraw/zinc/87/02/46/530870246.db2.gz RBPPYHSINKKBFD-UHFFFAOYSA-N 1 0 375.441 1.187 20 0 GDADRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)C1CCS(=O)(=O)CC1 ZINC000187382612 530872153 /nfs/dbraw/zinc/87/21/53/530872153.db2.gz KDAQRISRINVABA-GFCCVEGCSA-N 1 0 380.557 1.172 20 0 GDADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)[C@@H]3CCN(c4ccccc4Br)C3=O)C[C@H]21 ZINC000185165874 530838107 /nfs/dbraw/zinc/83/81/07/530838107.db2.gz OFTDQMQMGVAJLT-XPCVCDNBSA-N 1 0 392.297 1.998 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000185341968 530840793 /nfs/dbraw/zinc/84/07/93/530840793.db2.gz SQMCIXBCIBLEFR-GFCCVEGCSA-N 1 0 380.436 1.405 20 0 GDADRO CC1CC[NH+](CCCNC(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC000106010781 530845334 /nfs/dbraw/zinc/84/53/34/530845334.db2.gz ODBXKPIAMANKJN-UHFFFAOYSA-N 1 0 380.440 1.566 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000188750522 530900387 /nfs/dbraw/zinc/90/03/87/530900387.db2.gz LXZMCOKIYRRINN-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)c1nc2ncc(Br)cn2n1)C(C)(C)C ZINC000116127859 530903189 /nfs/dbraw/zinc/90/31/89/530903189.db2.gz BCXQJJPFEBIADK-LLVKDONJSA-N 1 0 383.294 1.983 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116231742 530903477 /nfs/dbraw/zinc/90/34/77/530903477.db2.gz ZPIBERUDUFUOBS-QWHCGFSZSA-N 1 0 375.560 1.898 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000189008014 530905814 /nfs/dbraw/zinc/90/58/14/530905814.db2.gz FBGPDMCYXSBRPU-GFCCVEGCSA-N 1 0 386.290 1.738 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000112403694 530881148 /nfs/dbraw/zinc/88/11/48/530881148.db2.gz XYJHOXXIKWLUJY-CQSZACIVSA-N 1 0 384.318 1.970 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1Br ZINC000188141893 530886716 /nfs/dbraw/zinc/88/67/16/530886716.db2.gz XYFKXXQMYKCQAP-MRXNPFEDSA-N 1 0 386.290 1.433 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000113185389 530887146 /nfs/dbraw/zinc/88/71/46/530887146.db2.gz MSOGGWLPPLCTAU-ZDUSSCGKSA-N 1 0 398.349 1.666 20 0 GDADRO O=C(CNC(=O)c1[nH]nc2c1C[NH2+]CC2)Nc1ccc(Br)cc1 ZINC000188403289 530893397 /nfs/dbraw/zinc/89/33/97/530893397.db2.gz IOHCNENUDCFRNA-UHFFFAOYSA-N 1 0 378.230 1.186 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000119692404 530929540 /nfs/dbraw/zinc/92/95/40/530929540.db2.gz FGOZDGLDAHZLAJ-UHFFFAOYSA-N 1 0 376.906 1.816 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000190379457 530929904 /nfs/dbraw/zinc/92/99/04/530929904.db2.gz SAVAMJSRGDLOIX-SJORKVTESA-N 1 0 390.933 1.746 20 0 GDADRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000190515324 530931856 /nfs/dbraw/zinc/93/18/56/530931856.db2.gz YNGMTCFKWKHPAN-ZDUSSCGKSA-N 1 0 388.559 1.060 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190596040 530933461 /nfs/dbraw/zinc/93/34/61/530933461.db2.gz ATYNBVOLRMPDGZ-SNVBAGLBSA-N 1 0 391.274 1.823 20 0 GDADRO O=C(NCC[N@@H+]1CCCOCC1)c1ccc(F)c(I)c1 ZINC000189395882 530912173 /nfs/dbraw/zinc/91/21/73/530912173.db2.gz VONNRBHIUCGERS-UHFFFAOYSA-N 1 0 392.212 1.882 20 0 GDADRO CC[N@@H+]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000117705729 530913926 /nfs/dbraw/zinc/91/39/26/530913926.db2.gz OYGACFSKYWORDZ-LBPRGKRZSA-N 1 0 375.441 1.234 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000189684108 530918501 /nfs/dbraw/zinc/91/85/01/530918501.db2.gz ZWNGCKNQRYDFKV-UHFFFAOYSA-N 1 0 375.288 1.365 20 0 GDADRO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000118773838 530919034 /nfs/dbraw/zinc/91/90/34/530919034.db2.gz JPFQGMOBTONWSZ-VVLHAWIVSA-N 1 0 375.579 1.825 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)C(=O)Nc1ccccc1Br ZINC000118897247 530919553 /nfs/dbraw/zinc/91/95/53/530919553.db2.gz CDNAASJJLYPNNT-UHFFFAOYSA-N 1 0 384.274 1.351 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000191992273 530958587 /nfs/dbraw/zinc/95/85/87/530958587.db2.gz HVRXGTPRWXNUKL-WDEREUQCSA-N 1 0 394.324 1.810 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192110143 530961631 /nfs/dbraw/zinc/96/16/31/530961631.db2.gz LMZVIEYNQXWADQ-JKSUJKDBSA-N 1 0 394.896 1.855 20 0 GDADRO C[C@@H](CNC(=O)CCn1cc(Br)ccc1=O)C[NH+]1CCN(C)CC1 ZINC000121805020 530962262 /nfs/dbraw/zinc/96/22/62/530962262.db2.gz FLKYYAYQKKKVLB-AWEZNQCLSA-N 1 0 399.333 1.001 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000121880033 530963820 /nfs/dbraw/zinc/96/38/20/530963820.db2.gz PDRDSFUTJGGQCB-IAQYHMDHSA-N 1 0 375.441 1.362 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000190724891 530936076 /nfs/dbraw/zinc/93/60/76/530936076.db2.gz YEOYVEOWOMORPR-UHFFFAOYSA-N 1 0 386.290 1.435 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3cc(Br)ccc3C2)CC1=O ZINC000191605778 530951152 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GDADRO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1cc(Br)cc2c1OCC2 ZINC000193243691 530982002 /nfs/dbraw/zinc/98/20/02/530982002.db2.gz CZZZCENXXLXKQH-JTQLQIEISA-N 1 0 375.288 1.662 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000123509343 530984499 /nfs/dbraw/zinc/98/44/99/530984499.db2.gz HRGQVHZRANQHSJ-UHFFFAOYSA-N 1 0 390.347 1.707 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)s1 ZINC000193389002 530985629 /nfs/dbraw/zinc/98/56/29/530985629.db2.gz PEOGYLVDFKUINJ-UHFFFAOYSA-N 1 0 385.555 1.651 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1Br ZINC000193362313 530984971 /nfs/dbraw/zinc/98/49/71/530984971.db2.gz XNDGLMLVAUYLBA-GFCCVEGCSA-N 1 0 379.258 1.564 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)cc1Br ZINC000192485291 530968469 /nfs/dbraw/zinc/96/84/69/530968469.db2.gz MKRQGIIDTKWGKG-SNVBAGLBSA-N 1 0 382.258 1.706 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(S(C)(=O)=O)ccc3Br)C[C@H]2C1 ZINC000192530891 530969604 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COc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c(OC)cc1Br ZINC000193416451 530986143 /nfs/dbraw/zinc/98/61/43/530986143.db2.gz VKRRLNSQQMELPP-MWLCHTKSSA-N 1 0 393.303 1.743 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCc1cc(Br)ccc1F ZINC000123717607 530987279 /nfs/dbraw/zinc/98/72/79/530987279.db2.gz GCSSSGIJIVQQES-OAHLLOKOSA-N 1 0 376.270 1.743 20 0 GDADRO COc1cc(I)c(C(=O)NCC[NH+](C)C)cc1OC ZINC000123788267 530988042 /nfs/dbraw/zinc/98/80/42/530988042.db2.gz UOWVIXYBTWYZSH-UHFFFAOYSA-N 1 0 378.210 1.600 20 0 GDADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000193604045 530990157 /nfs/dbraw/zinc/99/01/57/530990157.db2.gz VXKMVLHWHGVFTP-BXUZGUMPSA-N 1 0 389.315 1.621 20 0 GDADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000193614897 530990215 /nfs/dbraw/zinc/99/02/15/530990215.db2.gz VONCITHKYZXDSP-ZANVPECISA-N 1 0 387.221 1.344 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC2(C[NH3+])CCCC2)c(Br)c1 ZINC000124045631 530990862 /nfs/dbraw/zinc/99/08/62/530990862.db2.gz QMXVQNPSLNFHPL-UHFFFAOYSA-N 1 0 391.287 1.786 20 0 GDADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 ZINC000125618542 531008897 /nfs/dbraw/zinc/00/88/97/531008897.db2.gz SNRIFHNSMYPIJL-UHFFFAOYSA-N 1 0 382.507 1.630 20 0 GDADRO [NH3+][C@H](CNS(=O)(=O)c1cc2c(cc1Br)OCCO2)C1CC1 ZINC000194731100 531009338 /nfs/dbraw/zinc/00/93/38/531009338.db2.gz WQYLYUZKKMZTLP-SNVBAGLBSA-N 1 0 377.260 1.236 20 0 GDADRO C[N@H+](C[C@H](O)COC1CCOCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000125823234 531010702 /nfs/dbraw/zinc/01/07/02/531010702.db2.gz XNYNQRDRAQJJOR-RDJZCZTQSA-N 1 0 388.302 1.971 20 0 GDADRO C[N@H+](C[C@@H](O)COC1CCOCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000125823500 531010791 /nfs/dbraw/zinc/01/07/91/531010791.db2.gz XNYNQRDRAQJJOR-WBVHZDCISA-N 1 0 388.302 1.971 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194918772 531011731 /nfs/dbraw/zinc/01/17/31/531011731.db2.gz BRTCJECEBLWHQT-TXEJJXNPSA-N 1 0 396.285 1.806 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)Cc1cc(Br)cn1C ZINC000126104953 531014679 /nfs/dbraw/zinc/01/46/79/531014679.db2.gz FLJWCADMFYUYCA-ZDUSSCGKSA-N 1 0 386.338 1.565 20 0 GDADRO C[C@H](C[S@](C)=O)N(C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126178746 531015288 /nfs/dbraw/zinc/01/52/88/531015288.db2.gz VFCZMDIAJMTBGC-SGANQWHYSA-N 1 0 383.583 1.873 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cncc(Br)c2)CC1 ZINC000126258582 531016081 /nfs/dbraw/zinc/01/60/81/531016081.db2.gz HNCPVVOSBSIOFY-CQSZACIVSA-N 1 0 396.289 1.614 20 0 GDADRO O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)N[C@@H]1CC[NH2+]C1 ZINC000126621522 531020496 /nfs/dbraw/zinc/02/04/96/531020496.db2.gz BPTKFODKODYADB-RNCFNFMXSA-N 1 0 385.251 1.677 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccccc1I ZINC000127874227 531034948 /nfs/dbraw/zinc/03/49/48/531034948.db2.gz OEZHCCPUYYJZCA-UHFFFAOYSA-N 1 0 389.237 1.734 20 0 GDADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)C ZINC000195527335 531025918 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CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)C1 ZINC000131273416 531068758 /nfs/dbraw/zinc/06/87/58/531068758.db2.gz RKQCNNCHHVTOJP-AWEZNQCLSA-N 1 0 388.559 1.318 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000130947132 531065080 /nfs/dbraw/zinc/06/50/80/531065080.db2.gz YMFHISAIHHNTOT-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000236572238 531037797 /nfs/dbraw/zinc/03/77/97/531037797.db2.gz VWJSATIHCGTMCV-STQMWFEESA-N 1 0 380.286 1.918 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000236587201 531037968 /nfs/dbraw/zinc/03/79/68/531037968.db2.gz KSBPYSLNRZAPRE-SWLSCSKDSA-N 1 0 395.301 1.565 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000236665782 531038822 /nfs/dbraw/zinc/03/88/22/531038822.db2.gz OCMZJHYWTRUJLM-HNNXBMFYSA-N 1 0 380.286 1.876 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000128297380 531039664 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C[NH2+]CCCC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000237140624 531043036 /nfs/dbraw/zinc/04/30/36/531043036.db2.gz WFZLQLZXHKSBJG-UHFFFAOYSA-N 1 0 394.324 1.826 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000237140599 531043310 /nfs/dbraw/zinc/04/33/10/531043310.db2.gz NEIGWMFHDQGGTC-KRWDZBQOSA-N 1 0 382.302 1.913 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3[NH3+])C2)s1 ZINC000128868866 531045290 /nfs/dbraw/zinc/04/52/90/531045290.db2.gz KJDVCKZBCSGJPR-RRFJBIMHSA-N 1 0 385.555 1.843 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000237337656 531045341 /nfs/dbraw/zinc/04/53/41/531045341.db2.gz MFFVPQUALIOCGO-JTQLQIEISA-N 1 0 380.539 1.808 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000237322945 531045411 /nfs/dbraw/zinc/04/54/11/531045411.db2.gz ZIJRKUNVIRQYKK-NSHDSACASA-N 1 0 377.304 1.714 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 ZINC000237342505 531045672 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Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH2+]C(C)C)C2)s1 ZINC000151839015 531143491 /nfs/dbraw/zinc/14/34/91/531143491.db2.gz ULXXLFHPEDBVFI-OAHLLOKOSA-N 1 0 387.571 1.962 20 0 GDADRO CC(C)[NH+](CCCNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(C)C ZINC000151817168 531143520 /nfs/dbraw/zinc/14/35/20/531143520.db2.gz CLKQYRPAVMQUQY-UHFFFAOYSA-N 1 0 388.555 1.804 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC(C)(C)C[NH3+] ZINC000151921908 531144662 /nfs/dbraw/zinc/14/46/62/531144662.db2.gz ZBOQWKGTANQPDW-JTQLQIEISA-N 1 0 377.304 1.712 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263525992 531145388 /nfs/dbraw/zinc/14/53/88/531145388.db2.gz UCFATMQVHCGSFS-VCANKDNSSA-N 1 0 385.306 1.951 20 0 GDADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000151745686 531142066 /nfs/dbraw/zinc/14/20/66/531142066.db2.gz CGTWJHADYWQOPZ-UHFFFAOYSA-N 1 0 392.518 1.628 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151741569 531142082 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Cc1cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)s1 ZINC000153507037 531168900 /nfs/dbraw/zinc/16/89/00/531168900.db2.gz PVTWBOPGJZKNAO-AWEZNQCLSA-N 1 0 375.560 1.736 20 0 GDADRO [NH3+]CC1(NC(=O)c2cccn3c(I)cnc23)CCCC1 ZINC000154303084 531181508 /nfs/dbraw/zinc/18/15/08/531181508.db2.gz XZENIPJNRHSNSQ-UHFFFAOYSA-N 1 0 384.221 1.940 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000154377251 531183088 /nfs/dbraw/zinc/18/30/88/531183088.db2.gz FLAUKNGDARFHOZ-UHFFFAOYSA-N 1 0 393.962 1.965 20 0 GDADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000264410481 531183395 /nfs/dbraw/zinc/18/33/95/531183395.db2.gz IXKIUSXALUUWNB-LBPRGKRZSA-N 1 0 389.905 1.041 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154589095 531186670 /nfs/dbraw/zinc/18/66/70/531186670.db2.gz QTECRLGCERDUTB-UHFFFAOYSA-N 1 0 385.555 1.893 20 0 GDADRO CN(C)c1nc2sc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2s1 ZINC000264494184 531187372 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CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000156103345 531203935 /nfs/dbraw/zinc/20/39/35/531203935.db2.gz XZHSMZPPVIBHNH-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO CSCC[C@@H]([NH3+])C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000157113648 531206059 /nfs/dbraw/zinc/20/60/59/531206059.db2.gz QMOLTJNGNZVULY-CYBMUJFWSA-N 1 0 388.331 1.766 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)[C@H](C)C[NH2+]1 ZINC000156177097 531204297 /nfs/dbraw/zinc/20/42/97/531204297.db2.gz JSECINIMKIAHSB-NXEZZACHSA-N 1 0 391.287 1.591 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]([NH3+])CC(C)C)s1 ZINC000156278431 531204676 /nfs/dbraw/zinc/20/46/76/531204676.db2.gz KLRCJIBTPDUKKF-AWEZNQCLSA-N 1 0 375.560 1.811 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccccc1OC(F)F)CN1CC[NH+](C)CC1 ZINC000158059709 531207635 /nfs/dbraw/zinc/20/76/35/531207635.db2.gz DGJBLXMSCMNOFU-CYBMUJFWSA-N 1 0 377.457 1.450 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)NCc2ccc(S(=O)(=O)NC)s2)CC1 ZINC000157700915 531207076 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GDADRO CN1CCN(C(=O)Nc2ccc(F)cc2I)[C@H](C[NH3+])C1 ZINC000519529619 531212997 /nfs/dbraw/zinc/21/29/97/531212997.db2.gz XYSOOSGBPJTYKJ-SNVBAGLBSA-N 1 0 392.216 1.537 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCOc3ccc(Br)cc3C2)CC[C@H]1[NH3+] ZINC000519541694 531213332 /nfs/dbraw/zinc/21/33/32/531213332.db2.gz VDEPMWHGHHHSJB-BXUZGUMPSA-N 1 0 396.285 1.366 20 0 GDADRO C[NH+](C)CCCCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000264946494 531213744 /nfs/dbraw/zinc/21/37/44/531213744.db2.gz XEWCGAHKVNUBRU-UHFFFAOYSA-N 1 0 384.321 1.230 20 0 GDADRO COc1ccc(OCc2nc(C[NH2+]CCCNS(C)(=O)=O)cs2)cc1 ZINC000264972592 531217404 /nfs/dbraw/zinc/21/74/04/531217404.db2.gz RFARBPRKQJDUOW-UHFFFAOYSA-N 1 0 385.511 1.760 20 0 GDADRO OC[C@@H](C[NH2+]C[C@H](O)Cn1cccn1)Cc1cc(Br)ccc1F ZINC000519778417 531220417 /nfs/dbraw/zinc/22/04/17/531220417.db2.gz ZDNHKUZYQPKUSX-DOMZBBRYSA-N 1 0 386.265 1.586 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000519774655 531220629 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WNGBYZQAPPLUDB-AWEZNQCLSA-N 1 0 389.543 1.124 20 0 GDADRO COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2Br)CC[N@H+](C)C1 ZINC000411913865 531346957 /nfs/dbraw/zinc/34/69/57/531346957.db2.gz WZAIFTSWSNCXPG-STQMWFEESA-N 1 0 398.301 1.813 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000440839099 531347244 /nfs/dbraw/zinc/34/72/44/531347244.db2.gz AATGMKQOHUFXMM-RKDXNWHRSA-N 1 0 381.267 1.955 20 0 GDADRO COC(=O)[C@H]1CSCC[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000412080177 531357132 /nfs/dbraw/zinc/35/71/32/531357132.db2.gz POBSNTFAMOADNI-MRXNPFEDSA-N 1 0 386.539 1.286 20 0 GDADRO COC(=O)[C@H](O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000441244097 531358105 /nfs/dbraw/zinc/35/81/05/531358105.db2.gz BKVZIXFEIBJGNH-XJKSGUPXSA-N 1 0 392.279 1.979 20 0 GDADRO C[C@H](CNC(=O)c1cccn2c(I)cnc12)C[NH+](C)C ZINC000292394669 531352492 /nfs/dbraw/zinc/35/24/92/531352492.db2.gz NWJSEGGQKMCIKK-SNVBAGLBSA-N 1 0 386.237 1.866 20 0 GDADRO CCC1(NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]c(C)c2)CCC1 ZINC000349577872 531352985 /nfs/dbraw/zinc/35/29/85/531352985.db2.gz RNPFPUNHTVFAHX-UHFFFAOYSA-N 1 0 375.516 1.196 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000528394605 531354433 /nfs/dbraw/zinc/35/44/33/531354433.db2.gz LPKGHJCZFFWJPI-UHFFFAOYSA-N 1 0 391.896 1.700 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441848904 531365071 /nfs/dbraw/zinc/36/50/71/531365071.db2.gz PHKLYGQJOZHFSY-UHFFFAOYSA-N 1 0 388.262 1.091 20 0 GDADRO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](C[C@@H]3CCSC3)CC2)cc1 ZINC000278509655 531365688 /nfs/dbraw/zinc/36/56/88/531365688.db2.gz WQLPOMPKEGXBCS-ZDUSSCGKSA-N 1 0 383.539 1.738 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)NCC[NH+](C)C)sc2c1CCCS2 ZINC000266887487 531375132 /nfs/dbraw/zinc/37/51/32/531375132.db2.gz QKLJJPVNEMOPFR-UHFFFAOYSA-N 1 0 385.511 1.579 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1F ZINC000292618853 531366289 /nfs/dbraw/zinc/36/62/89/531366289.db2.gz LXAPSYONDWXZJA-LBPRGKRZSA-N 1 0 395.522 1.452 20 0 GDADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1 ZINC000480296289 531369867 /nfs/dbraw/zinc/36/98/67/531369867.db2.gz SSJDBZGJYBHECN-UHFFFAOYSA-N 1 0 383.495 1.025 20 0 GDADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)CC1 ZINC000480289147 531370208 /nfs/dbraw/zinc/37/02/08/531370208.db2.gz JAYIKLFPCJSGJB-UHFFFAOYSA-N 1 0 389.543 1.008 20 0 GDADRO CS(=O)(=O)c1ccc(NC(=O)NC2(C[NH3+])CCOCC2)cc1C(F)F ZINC000528684679 531371212 /nfs/dbraw/zinc/37/12/12/531371212.db2.gz BFFGFQUQASIRSU-UHFFFAOYSA-N 1 0 377.413 1.657 20 0 GDADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000480628760 531372061 /nfs/dbraw/zinc/37/20/61/531372061.db2.gz AZXGVHACSPBBLY-CYBMUJFWSA-N 1 0 387.933 1.814 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000528707167 531372391 /nfs/dbraw/zinc/37/23/91/531372391.db2.gz VRUQRVYWDNRYGR-GFCCVEGCSA-N 1 0 391.896 1.700 20 0 GDADRO CC[NH+]1CCN(CC(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)CC1 ZINC000412490447 531372738 /nfs/dbraw/zinc/37/27/38/531372738.db2.gz PPYOAQXXRKRNOA-UHFFFAOYSA-N 1 0 387.933 1.387 20 0 GDADRO COc1c[nH+]ccc1N1CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000481034172 531382941 /nfs/dbraw/zinc/38/29/41/531382941.db2.gz HMCZLWIRACOOST-UHFFFAOYSA-N 1 0 392.257 1.673 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(I)cnn2C)C1 ZINC000292895205 531387344 /nfs/dbraw/zinc/38/73/44/531387344.db2.gz UOCKMKWGUVADSY-NSHDSACASA-N 1 0 390.269 1.829 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000267037557 531390457 /nfs/dbraw/zinc/39/04/57/531390457.db2.gz MAOXCAJYLCKCII-GFCCVEGCSA-N 1 0 377.304 1.709 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(c3cnn(-c4ccccn4)c(=O)c3Br)C2)C1 ZINC000293009658 531394130 /nfs/dbraw/zinc/39/41/30/531394130.db2.gz IEBUTLFLHBLOAX-QGZVFWFLSA-N 1 0 390.285 1.922 20 0 GDADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000443748629 531394890 /nfs/dbraw/zinc/39/48/90/531394890.db2.gz NAGWRJJIHGRKNN-UHFFFAOYSA-N 1 0 399.195 1.711 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CCC(C)(C)C2)cc[nH+]1 ZINC000349599246 531377278 /nfs/dbraw/zinc/37/72/78/531377278.db2.gz JFMJQZCNMKCSKI-UHFFFAOYSA-N 1 0 389.543 1.396 20 0 GDADRO COC(=O)C1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000442875907 531377812 /nfs/dbraw/zinc/37/78/12/531377812.db2.gz PUUGLGMBHGFRCD-UHFFFAOYSA-N 1 0 376.425 1.565 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000442908146 531379459 /nfs/dbraw/zinc/37/94/59/531379459.db2.gz KYWQKQDIVKVBQT-LLVKDONJSA-N 1 0 384.893 1.673 20 0 GDADRO OCc1cn([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)nn1 ZINC000293069814 531398332 /nfs/dbraw/zinc/39/83/32/531398332.db2.gz VHYQDCXCBUVTAN-HZPDHXFCSA-N 1 0 381.274 1.903 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000482532111 531399647 /nfs/dbraw/zinc/39/96/47/531399647.db2.gz REZGMACERVYNNA-NSHDSACASA-N 1 0 387.531 1.434 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(I)c1)C[NH+](C)C ZINC000293093093 531400012 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GDADRO Cc1ccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1S(C)(=O)=O ZINC000447555236 531430132 /nfs/dbraw/zinc/43/01/32/531430132.db2.gz AKSKWTREVVIAAM-CYBMUJFWSA-N 1 0 382.507 1.897 20 0 GDADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414251093 531436580 /nfs/dbraw/zinc/43/65/80/531436580.db2.gz GVFNALZZXZVIAE-CYBMUJFWSA-N 1 0 376.544 1.815 20 0 GDADRO CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000447759105 531433253 /nfs/dbraw/zinc/43/32/53/531433253.db2.gz PPYJXLADNNXGJH-UHFFFAOYSA-N 1 0 397.607 1.232 20 0 GDADRO CS[C@H]1CN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)C[C@@H]1[NH+](C)C ZINC000534092103 531433861 /nfs/dbraw/zinc/43/38/61/531433861.db2.gz KDQUTENVFBPMAN-GJZGRUSLSA-N 1 0 384.933 1.643 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cnc3ccsc3c2)CC1 ZINC000267600082 531437445 /nfs/dbraw/zinc/43/74/45/531437445.db2.gz DMUFTFSWQKLTKH-AWEZNQCLSA-N 1 0 382.555 1.848 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000267593602 531437847 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Cn1cc(Br)cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1=O ZINC000360622118 531442719 /nfs/dbraw/zinc/44/27/19/531442719.db2.gz UGEICOJKYHNVAI-ZIAGYGMSSA-N 1 0 399.289 1.211 20 0 GDADRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414360527 531442922 /nfs/dbraw/zinc/44/29/22/531442922.db2.gz QWSYETYXSPIWMX-UHFFFAOYSA-N 1 0 393.303 1.918 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)[C@@H](C[NH3+])C1 ZINC000293777905 531443559 /nfs/dbraw/zinc/44/35/59/531443559.db2.gz ZBWDWDAIDNWVAR-NXEZZACHSA-N 1 0 390.303 1.296 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](CO)c2ccccc2)cc1Br ZINC000414362975 531443594 /nfs/dbraw/zinc/44/35/94/531443594.db2.gz KCPWWUCTJMCJJD-CQSZACIVSA-N 1 0 399.310 1.962 20 0 GDADRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414356595 531443739 /nfs/dbraw/zinc/44/37/39/531443739.db2.gz FLKPSBCEXNESRA-KCJUWKMLSA-N 1 0 383.333 1.299 20 0 GDADRO C[C@@H]1C[C@H](NCc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000414364438 531443943 /nfs/dbraw/zinc/44/39/43/531443943.db2.gz ZUMDPGYNQXRYCG-ZYHUDNBSSA-N 1 0 376.320 1.669 20 0 GDADRO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414368948 531443959 /nfs/dbraw/zinc/44/39/59/531443959.db2.gz UCFTZLKQPMLOKH-ZYHUDNBSSA-N 1 0 393.303 1.380 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293902344 531450774 /nfs/dbraw/zinc/45/07/74/531450774.db2.gz HFBDKWXSJBKYRW-QGZVFWFLSA-N 1 0 385.917 1.806 20 0 GDADRO O=C1CNCCN1[C@H]1CCC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000486454388 531451796 /nfs/dbraw/zinc/45/17/96/531451796.db2.gz ISTNIUWJIFTSPM-HNNXBMFYSA-N 1 0 382.302 1.724 20 0 GDADRO COc1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)sc1S(N)(=O)=O ZINC000536513542 531451793 /nfs/dbraw/zinc/45/17/93/531451793.db2.gz OZZJCDAQCZOWIP-UHFFFAOYSA-N 1 0 383.495 1.396 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccc(OC(F)F)c(F)c1 ZINC000279776585 531453740 /nfs/dbraw/zinc/45/37/40/531453740.db2.gz NJVIBFGCDVSFGF-UHFFFAOYSA-N 1 0 382.404 1.552 20 0 GDADRO COC(=O)CN1CCC([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000293980206 531455715 /nfs/dbraw/zinc/45/57/15/531455715.db2.gz KWOYUZRDRNYDSH-UHFFFAOYSA-N 1 0 388.917 1.731 20 0 GDADRO COC[C@H](CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000279859898 531457921 /nfs/dbraw/zinc/45/79/21/531457921.db2.gz SLEOEQGJLWDGDV-JTQLQIEISA-N 1 0 381.210 1.405 20 0 GDADRO C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000279858805 531457595 /nfs/dbraw/zinc/45/75/95/531457595.db2.gz AVSKAGFSGHFKDS-LLVKDONJSA-N 1 0 382.511 1.386 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000267745487 531448796 /nfs/dbraw/zinc/44/87/96/531448796.db2.gz ORHCCNSQGIFYQG-UHFFFAOYSA-N 1 0 387.552 1.922 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)s1 ZINC000279696479 531450419 /nfs/dbraw/zinc/45/04/19/531450419.db2.gz VHASCZHNBJVWQD-OLZOCXBDSA-N 1 0 380.557 1.280 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000487527341 531473816 /nfs/dbraw/zinc/47/38/16/531473816.db2.gz PZODSOCXPPFPOD-WCQYABFASA-N 1 0 383.290 1.817 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(I)c(F)c1 ZINC000449712880 531474402 /nfs/dbraw/zinc/47/44/02/531474402.db2.gz UTESETMFBSPRAE-JTQLQIEISA-N 1 0 378.185 1.539 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000449720233 531474428 /nfs/dbraw/zinc/47/44/28/531474428.db2.gz RWFOMBDNTDJRJW-ZYHUDNBSSA-N 1 0 386.265 1.952 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1F ZINC000449710327 531474485 /nfs/dbraw/zinc/47/44/85/531474485.db2.gz AJVOYKMOIBPBTL-WPRPVWTQSA-N 1 0 393.278 1.849 20 0 GDADRO CC1(C)[NH2+]CC[C@H]1NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000449748329 531474981 /nfs/dbraw/zinc/47/49/81/531474981.db2.gz LJLJMTBTRWPLGU-GFCCVEGCSA-N 1 0 394.324 1.919 20 0 GDADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(F)(F)F ZINC000449723113 531475267 /nfs/dbraw/zinc/47/52/67/531475267.db2.gz QPLUAPOTKGZWFW-QWRGUYRKSA-N 1 0 399.460 1.687 20 0 GDADRO CN(C(=O)C(=O)Nc1ccc(I)cc1)C1CC[NH2+]CC1 ZINC000415331441 531475475 /nfs/dbraw/zinc/47/54/75/531475475.db2.gz SSTYFJSZGXEYNV-UHFFFAOYSA-N 1 0 387.221 1.440 20 0 GDADRO O=C(Nc1cc(Br)ccc1Br)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415330547 531475620 /nfs/dbraw/zinc/47/56/20/531475620.db2.gz OFLPCDGTPOTKLG-MRVPVSSYSA-N 1 0 391.063 1.628 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415327286 531475715 /nfs/dbraw/zinc/47/57/15/531475715.db2.gz HZWGIHRMJVEOMD-NSHDSACASA-N 1 0 386.246 1.736 20 0 GDADRO CSCCONC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000280136746 531475897 /nfs/dbraw/zinc/47/58/97/531475897.db2.gz WYMPZXMBDBNTNG-UHFFFAOYSA-N 1 0 389.543 1.249 20 0 GDADRO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)NC1CC1 ZINC000363213222 531475929 /nfs/dbraw/zinc/47/59/29/531475929.db2.gz MVWZMMNTRPYAID-LLVKDONJSA-N 1 0 381.274 1.773 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c(C)cc1Br ZINC000415343019 531476688 /nfs/dbraw/zinc/47/66/88/531476688.db2.gz RXMIMWVLHZXATE-JTQLQIEISA-N 1 0 398.257 1.303 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415336611 531476852 /nfs/dbraw/zinc/47/68/52/531476852.db2.gz SOSQVLHIFHHRDA-MRVPVSSYSA-N 1 0 376.201 1.782 20 0 GDADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C(F)(F)F ZINC000487728998 531477340 /nfs/dbraw/zinc/47/73/40/531477340.db2.gz XRGKKAHXYXUTIX-CYBMUJFWSA-N 1 0 381.420 1.300 20 0 GDADRO COC(=O)[C@H]1CN(Cc2cc(O)c(OC)cc2Br)CC[N@H+](C)C1 ZINC000414485881 531458237 /nfs/dbraw/zinc/45/82/37/531458237.db2.gz IYCGWJNRVOJODF-GFCCVEGCSA-N 1 0 387.274 1.700 20 0 GDADRO COc1c(Br)cccc1C[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000414570944 531458939 /nfs/dbraw/zinc/45/89/39/531458939.db2.gz TVKHWUPWDLFDQD-UHFFFAOYSA-N 1 0 382.262 1.718 20 0 GDADRO NC(=O)c1cn(CCCC[NH2+]Cc2cc(Br)cc3c2OCC3)nn1 ZINC000414562701 531459075 /nfs/dbraw/zinc/45/90/75/531459075.db2.gz BFWOZMPMICJLBW-UHFFFAOYSA-N 1 0 394.273 1.644 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)nc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362398472 531461326 /nfs/dbraw/zinc/46/13/26/531461326.db2.gz XOWQTEVYPBSOLY-ZBFHGGJFSA-N 1 0 386.949 1.523 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1Cl ZINC000415347185 531477451 /nfs/dbraw/zinc/47/74/51/531477451.db2.gz BLZFVEAQOFHIQO-VIFPVBQESA-N 1 0 376.240 1.517 20 0 GDADRO [NH3+]CCN(CCO)C(=O)Nc1cc(Br)ccc1Br ZINC000414784603 531464402 /nfs/dbraw/zinc/46/44/02/531464402.db2.gz SSUFWBULDHALHH-UHFFFAOYSA-N 1 0 381.068 1.997 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cc3sc(N4CCCC4)nc3s2)CC1 ZINC000279987877 531465452 /nfs/dbraw/zinc/46/54/52/531465452.db2.gz RAZVNQXBRZJKRQ-UHFFFAOYSA-N 1 0 379.555 1.935 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(Br)ccc2F)C1 ZINC000415160770 531467182 /nfs/dbraw/zinc/46/71/82/531467182.db2.gz LCVVPTGKZXXZJQ-SNVBAGLBSA-N 1 0 387.253 1.907 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000449184360 531467503 /nfs/dbraw/zinc/46/75/03/531467503.db2.gz MSGXIBTYJIRYBQ-IAQYHMDHSA-N 1 0 398.301 1.673 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCN(C(C)=O)C1 ZINC000449184357 531467821 /nfs/dbraw/zinc/46/78/21/531467821.db2.gz MSGXIBTYJIRYBQ-ABAIWWIYSA-N 1 0 398.301 1.673 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363020441 531468334 /nfs/dbraw/zinc/46/83/34/531468334.db2.gz JVWNSSPTXCEWBA-CABCVRRESA-N 1 0 380.286 1.922 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(F)ccc2Br)C1 ZINC000415262574 531469017 /nfs/dbraw/zinc/46/90/17/531469017.db2.gz GIHZVJPGNPHLLT-SNVBAGLBSA-N 1 0 387.253 1.907 20 0 GDADRO O=C(Nc1cnn(-c2ccc(Cl)cc2Cl)c1)C(=O)NC1CC[NH2+]CC1 ZINC000415265381 531469508 /nfs/dbraw/zinc/46/95/08/531469508.db2.gz FCMVNBKDLLGLJA-UHFFFAOYSA-N 1 0 382.251 1.986 20 0 GDADRO C[C@H](C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449324048 531470124 /nfs/dbraw/zinc/47/01/24/531470124.db2.gz XNSIPLFGAQYREU-ZBFHGGJFSA-N 1 0 388.555 1.597 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1I ZINC000415272811 531470271 /nfs/dbraw/zinc/47/02/71/531470271.db2.gz QNZZWLBNXVCYFI-JTQLQIEISA-N 1 0 387.221 1.488 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000449409472 531470527 /nfs/dbraw/zinc/47/05/27/531470527.db2.gz UBPZFQXAHQINRA-QMTHXVAHSA-N 1 0 380.279 1.658 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000449442705 531471560 /nfs/dbraw/zinc/47/15/60/531471560.db2.gz MGMLWBVEWRQABL-AAEUAGOBSA-N 1 0 391.921 1.983 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)c(=O)n(C)c1=O ZINC000449549227 531471637 /nfs/dbraw/zinc/47/16/37/531471637.db2.gz VWWOYJGPCYTDNZ-CYBMUJFWSA-N 1 0 382.233 1.763 20 0 GDADRO O=C(NCCC[NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000540417889 531472476 /nfs/dbraw/zinc/47/24/76/531472476.db2.gz BTWVPQQAHWUNCS-CQSZACIVSA-N 1 0 389.315 1.736 20 0 GDADRO COc1cc(C[N@H+](CCO)C2CCSCC2)cc(Cl)c1OCC(N)=O ZINC000449680878 531472566 /nfs/dbraw/zinc/47/25/66/531472566.db2.gz CNRPSDQHLDZFOF-UHFFFAOYSA-N 1 0 388.917 1.903 20 0 GDADRO CCOCCS(=O)(=O)NCC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000268142450 531478484 /nfs/dbraw/zinc/47/84/84/531478484.db2.gz RIXUSNSCGQOTHN-OAHLLOKOSA-N 1 0 391.559 1.203 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000415361837 531479372 /nfs/dbraw/zinc/47/93/72/531479372.db2.gz OMCMZURWJSKODW-YUMQZZPRSA-N 1 0 391.209 1.935 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000268164116 531479513 /nfs/dbraw/zinc/47/95/13/531479513.db2.gz JLKWMVVPMPXBCB-GFCCVEGCSA-N 1 0 392.905 1.762 20 0 GDADRO Cc1nnc(Sc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)c(C)c2)s1 ZINC000415370461 531479898 /nfs/dbraw/zinc/47/98/98/531479898.db2.gz OFPDVCYAVSDRSB-NSHDSACASA-N 1 0 377.495 1.804 20 0 GDADRO C[NH+](C)CCCN(C(=O)/C=C/SCc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000268157711 531479948 /nfs/dbraw/zinc/47/99/48/531479948.db2.gz HLKVYPABRVMDHQ-KDHUCADRSA-N 1 0 386.539 1.994 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)C1 ZINC000415366547 531480171 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C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn(C)c1I ZINC000294531072 531484032 /nfs/dbraw/zinc/48/40/32/531484032.db2.gz KTAIGYZVDAINGL-JTQLQIEISA-N 1 0 390.269 1.827 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cc2cccnc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000450118721 531486461 /nfs/dbraw/zinc/48/64/61/531486461.db2.gz AUHBPFRHIQXNFV-CQSZACIVSA-N 1 0 381.523 1.877 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415468431 531488527 /nfs/dbraw/zinc/48/85/27/531488527.db2.gz WAOSNDRTLUDOFY-BXKDBHETSA-N 1 0 398.257 1.370 20 0 GDADRO C[C@@H](O)C[NH+]1CCN(C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000294668379 531490654 /nfs/dbraw/zinc/49/06/54/531490654.db2.gz RRZIJGVCONYECY-WBMJQRKESA-N 1 0 375.282 1.794 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000415494428 531491068 /nfs/dbraw/zinc/49/10/68/531491068.db2.gz MKJHSRDWZJDREG-SNVBAGLBSA-N 1 0 398.257 1.385 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCCN(C)CCC[NH+](C)C)c1Br ZINC000658428950 531510811 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COc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415873959 531547595 /nfs/dbraw/zinc/54/75/95/531547595.db2.gz VWLZPXGASAGDMX-NQBHXWOUSA-N 1 0 396.285 1.901 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415870282 531547899 /nfs/dbraw/zinc/54/78/99/531547899.db2.gz OTPWEXGEKWGNCD-JTQLQIEISA-N 1 0 387.221 1.488 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1Br ZINC000415873140 531548420 /nfs/dbraw/zinc/54/84/20/531548420.db2.gz UHKDXXPIYPKZBR-MNOVXSKESA-N 1 0 382.258 1.464 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000582595414 531549723 /nfs/dbraw/zinc/54/97/23/531549723.db2.gz BNXXURLJLFAEHQ-UONOGXRCSA-N 1 0 386.543 1.058 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000415899950 531550255 /nfs/dbraw/zinc/55/02/55/531550255.db2.gz VOLQYZVYCACXLZ-GHMZBOCLSA-N 1 0 382.258 1.464 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)c1 ZINC000415881074 531550526 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COCC[N@@H+]1CC[C@H](NC(=O)c2cc(I)ccc2F)C1 ZINC000268540133 531533081 /nfs/dbraw/zinc/53/30/81/531533081.db2.gz KQKXLHHKENPRFL-NSHDSACASA-N 1 0 392.212 1.881 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)cc1Br ZINC000415798766 531533185 /nfs/dbraw/zinc/53/31/85/531533185.db2.gz CRYXQZNPDUQVPP-BDAKNGLRSA-N 1 0 386.246 1.335 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000415794729 531533241 /nfs/dbraw/zinc/53/32/41/531533241.db2.gz VZQSOADAOJCDBU-ZDUSSCGKSA-N 1 0 399.337 1.701 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415795401 531533388 /nfs/dbraw/zinc/53/33/88/531533388.db2.gz XLSWADCGUXZWGW-ZCFIWIBFSA-N 1 0 397.163 1.361 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C)c(I)c1 ZINC000415794145 531533448 /nfs/dbraw/zinc/53/34/48/531533448.db2.gz VVNVOWQBQKVJGK-SECBINFHSA-N 1 0 375.210 1.392 20 0 GDADRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 ZINC000582058358 531534036 /nfs/dbraw/zinc/53/40/36/531534036.db2.gz XVUQXIBKPRGYIX-DZGCQCFKSA-N 1 0 391.295 1.960 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415813958 531536067 /nfs/dbraw/zinc/53/60/67/531536067.db2.gz ARAAESJPDXOMQB-GFCCVEGCSA-N 1 0 390.665 1.536 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000415810668 531536155 /nfs/dbraw/zinc/53/61/55/531536155.db2.gz QQQUNRLOFLUGHZ-WDEREUQCSA-N 1 0 394.273 1.484 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)c1cccc(Br)c1 ZINC000659699075 531554834 /nfs/dbraw/zinc/55/48/34/531554834.db2.gz KOFCCBFURZTXNG-UHFFFAOYSA-N 1 0 394.313 1.793 20 0 GDADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000558269048 531555368 /nfs/dbraw/zinc/55/53/68/531555368.db2.gz XSKIBBFHHYEJEE-UHFFFAOYSA-N 1 0 383.495 1.417 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000659714882 531557119 /nfs/dbraw/zinc/55/71/19/531557119.db2.gz YSNMMIZAISLYDY-UHFFFAOYSA-N 1 0 385.295 1.510 20 0 GDADRO CC(=O)Nc1nnc(SCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000552740997 531558403 /nfs/dbraw/zinc/55/84/03/531558403.db2.gz SJHZTBFWLWLGHY-LBPRGKRZSA-N 1 0 387.531 1.062 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000659752748 531559428 /nfs/dbraw/zinc/55/94/28/531559428.db2.gz NNCGJEGVQMMYOE-GFCCVEGCSA-N 1 0 382.302 1.912 20 0 GDADRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)[NH+]1CCC(C)CC1 ZINC000558500185 531563726 /nfs/dbraw/zinc/56/37/26/531563726.db2.gz GOCFESJLNLQGKB-CQSZACIVSA-N 1 0 387.933 1.855 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)NCc2ccc(C[NH+](C)C)c(F)c2)s1 ZINC000553533469 531563890 /nfs/dbraw/zinc/56/38/90/531563890.db2.gz MEQRDQJCHYWDJH-UHFFFAOYSA-N 1 0 386.474 1.781 20 0 GDADRO CC1(C)OCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000295349801 531566118 /nfs/dbraw/zinc/56/61/18/531566118.db2.gz YMAUEZPRYBVQRM-CYBMUJFWSA-N 1 0 384.274 1.661 20 0 GDADRO C[NH+]1CCC(CNS(=O)(=O)CCc2cccs2)(N2CCOCC2)CC1 ZINC000583132868 531566452 /nfs/dbraw/zinc/56/64/52/531566452.db2.gz TYMFMJMIRZDUBD-UHFFFAOYSA-N 1 0 387.571 1.007 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Br)cc2c1OCCO2 ZINC000612659657 531554637 /nfs/dbraw/zinc/55/46/37/531554637.db2.gz QPERLILGTXVLGR-ZDUSSCGKSA-N 1 0 399.285 1.797 20 0 GDADRO C[C@@H](NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000553656879 531570177 /nfs/dbraw/zinc/57/01/77/531570177.db2.gz OPKQIWJCFDMGEY-MNOVXSKESA-N 1 0 390.472 1.084 20 0 GDADRO C[C@H]([NH2+]CCCOCCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281049162 531570605 /nfs/dbraw/zinc/57/06/05/531570605.db2.gz HSSCBICJNGSVKG-JTQLQIEISA-N 1 0 381.292 1.146 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(Cl)sc1Cl ZINC000281036538 531570644 /nfs/dbraw/zinc/57/06/44/531570644.db2.gz IOCSILATYLVGDM-UHFFFAOYSA-N 1 0 394.324 1.918 20 0 GDADRO CO[C@@H](C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)[C@H]1CCOC1 ZINC000659925162 531571564 /nfs/dbraw/zinc/57/15/64/531571564.db2.gz FAROCBGDYAIPKS-JSGCOSHPSA-N 1 0 388.452 1.326 20 0 GDADRO CN(C(=O)Cn1cc(Br)c(=O)[nH]c1=O)C(C)(C)C[NH+]1CCCC1 ZINC000416331712 531575797 /nfs/dbraw/zinc/57/57/97/531575797.db2.gz CSTQGLTWPVPVFA-UHFFFAOYSA-N 1 0 387.278 1.044 20 0 GDADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364567103 531578236 /nfs/dbraw/zinc/57/82/36/531578236.db2.gz ZBOFZSRMYMTCJW-QMTHXVAHSA-N 1 0 378.372 1.927 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1I ZINC000583499732 531580377 /nfs/dbraw/zinc/58/03/77/531580377.db2.gz XPCZEHDADNXZMY-GXFFZTMASA-N 1 0 394.278 1.957 20 0 GDADRO C[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)Oc1cccc(Br)c1 ZINC000636864834 531583582 /nfs/dbraw/zinc/58/35/82/531583582.db2.gz OQEQHGGRGSXCCH-OCCSQVGLSA-N 1 0 386.290 1.582 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000416373273 531584823 /nfs/dbraw/zinc/58/48/23/531584823.db2.gz ONCJSENOLPMVAI-LSDHHAIUSA-N 1 0 385.917 1.913 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000268945935 531592282 /nfs/dbraw/zinc/59/22/82/531592282.db2.gz WPVRFIXAOLOTCI-CYBMUJFWSA-N 1 0 399.289 1.294 20 0 GDADRO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281207698 531593480 /nfs/dbraw/zinc/59/34/80/531593480.db2.gz UBDVQDQYDLNNEF-QMMMGPOBSA-N 1 0 378.292 1.259 20 0 GDADRO O=C(Cc1c(F)ccc(Br)c1F)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614506080 531597930 /nfs/dbraw/zinc/59/79/30/531597930.db2.gz VIWNPUZRBYHXBK-NSHDSACASA-N 1 0 388.256 1.776 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1c[nH]c2ncc(Br)cc12 ZINC000614506401 531599027 /nfs/dbraw/zinc/59/90/27/531599027.db2.gz XFKQHFGKOYEWNZ-GFCCVEGCSA-N 1 0 378.274 1.445 20 0 GDADRO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000451373539 531600643 /nfs/dbraw/zinc/60/06/43/531600643.db2.gz IWHPLSZBPRIMSN-DGCLKSJQSA-N 1 0 388.452 1.862 20 0 GDADRO C[N@H+](C[C@H](O)CN1C(=O)C[C@H](c2cccc(Br)c2)C1=O)C1CC1 ZINC000416405764 531602415 /nfs/dbraw/zinc/60/24/15/531602415.db2.gz CPCNQXRNOZKMGJ-LSDHHAIUSA-N 1 0 381.270 1.747 20 0 GDADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000416406475 531602522 /nfs/dbraw/zinc/60/25/22/531602522.db2.gz YGRVQEJNPXGCHH-GFCCVEGCSA-N 1 0 390.889 1.252 20 0 GDADRO COCCN(C)C(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637119308 531605245 /nfs/dbraw/zinc/60/52/45/531605245.db2.gz RDYNPWFVRMZTNQ-CQSZACIVSA-N 1 0 376.284 1.817 20 0 GDADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614850466 531606660 /nfs/dbraw/zinc/60/66/60/531606660.db2.gz YRPSDJZBUUJKEV-ZBFHGGJFSA-N 1 0 387.318 1.683 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)C(=O)N1CCC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637121115 531607378 /nfs/dbraw/zinc/60/73/78/531607378.db2.gz NXMVROURXSULQS-SWLSCSKDSA-N 1 0 388.295 1.696 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)C(=O)N1CCC[C@@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637121113 531607663 /nfs/dbraw/zinc/60/76/63/531607663.db2.gz NXMVROURXSULQS-IUODEOHRSA-N 1 0 388.295 1.696 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000660180055 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387.299 1.819 20 0 GDADRO [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC[C@H]1CSCCS1 ZINC000269207444 531623068 /nfs/dbraw/zinc/62/30/68/531623068.db2.gz FCLMCPGISHXEIH-IRXDYDNUSA-N 1 0 376.551 1.766 20 0 GDADRO O=C(C[C@H]1C[NH2+]CCO1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000269204536 531623490 /nfs/dbraw/zinc/62/34/90/531623490.db2.gz JKYCJGRVMSHEIY-VIFPVBQESA-N 1 0 377.754 1.396 20 0 GDADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CNS(=O)(=O)c1ccc(Cl)s1)C2 ZINC000615618009 531622445 /nfs/dbraw/zinc/62/24/45/531622445.db2.gz DWTMNUDALDMFOF-HNNXBMFYSA-N 1 0 391.946 1.624 20 0 GDADRO CC(C)(C)n1cc(Br)c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)n1 ZINC000615659142 531625803 /nfs/dbraw/zinc/62/58/03/531625803.db2.gz KZAGGPVDSXMWNH-LBPRGKRZSA-N 1 0 387.322 1.977 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC[C@@H]1[NH3+] ZINC000269233635 531626816 /nfs/dbraw/zinc/62/68/16/531626816.db2.gz AXWSVYZOLGGJKN-BZPMIXESSA-N 1 0 380.286 1.998 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 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[NH3+]CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CCOCC1 ZINC000638634214 531661061 /nfs/dbraw/zinc/66/10/61/531661061.db2.gz DLAZOSCWRGGDPN-UHFFFAOYSA-N 1 0 380.242 1.528 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCc1nc(C(N)=O)cs1)c1ccc(Cl)cc1 ZINC000661891014 531661561 /nfs/dbraw/zinc/66/15/61/531661561.db2.gz YSROFWYONRAANX-ZDUSSCGKSA-N 1 0 381.889 1.998 20 0 GDADRO CCCOc1c(Br)cc(C(=O)NC[C@@H]2COCC[NH2+]2)cc1OC ZINC000638625957 531661699 /nfs/dbraw/zinc/66/16/99/531661699.db2.gz VUEYAOANOZRGLK-GFCCVEGCSA-N 1 0 387.274 1.965 20 0 GDADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000589230462 531667969 /nfs/dbraw/zinc/66/79/69/531667969.db2.gz KQBUADCDZUXHSC-NSHDSACASA-N 1 0 396.285 1.997 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000638903792 531672564 /nfs/dbraw/zinc/67/25/64/531672564.db2.gz UUCHISCEARVTET-FZMZJTMJSA-N 1 0 394.273 1.740 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C[C@@H]1C[NH3+] ZINC000638895714 531673144 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CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000666239415 531755149 /nfs/dbraw/zinc/75/51/49/531755149.db2.gz IIVZGVPEOFRILW-ZDUSSCGKSA-N 1 0 390.347 1.916 20 0 GDADRO CC1(NC(=O)NCCNC(=O)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000417201653 531757404 /nfs/dbraw/zinc/75/74/04/531757404.db2.gz AFPQZGWMVPDQPV-UHFFFAOYSA-N 1 0 383.290 1.620 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417210500 531759008 /nfs/dbraw/zinc/75/90/08/531759008.db2.gz QWPFONMKFHXDQC-AWEZNQCLSA-N 1 0 385.306 1.852 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000621838225 531759814 /nfs/dbraw/zinc/75/98/14/531759814.db2.gz ACOYRWRRZVFMEQ-UINNMSKDSA-N 1 0 376.404 1.679 20 0 GDADRO C[C@H]1CN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000417216631 531760416 /nfs/dbraw/zinc/76/04/16/531760416.db2.gz YMJCUNITJJXVAA-SMDDNHRTSA-N 1 0 383.290 1.558 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452105845 531763868 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C[C@]1(C[NH3+])CCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417438499 531771152 /nfs/dbraw/zinc/77/11/52/531771152.db2.gz TVERFPVYBFKISO-QGZVFWFLSA-N 1 0 397.317 1.949 20 0 GDADRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000592198548 531771281 /nfs/dbraw/zinc/77/12/81/531771281.db2.gz RRLGEYGFEXWJHV-FZMZJTMJSA-N 1 0 385.258 1.634 20 0 GDADRO O=C(NCCc1ccc(I)s1)NC[C@H]1CCC[NH2+]1 ZINC000417436378 531771505 /nfs/dbraw/zinc/77/15/05/531771505.db2.gz DOUBNJORBPBWDI-SECBINFHSA-N 1 0 379.267 1.946 20 0 GDADRO O=C(NCCc1ccc(I)s1)N[C@@H]1CCC[NH2+]C1 ZINC000417439234 531771694 /nfs/dbraw/zinc/77/16/94/531771694.db2.gz LERIFGCYYXMUJJ-SECBINFHSA-N 1 0 379.267 1.946 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1=O ZINC000622124900 531772036 /nfs/dbraw/zinc/77/20/36/531772036.db2.gz DLOCNKNCVAVPAM-UHFFFAOYSA-N 1 0 398.257 1.024 20 0 GDADRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000622145879 531772360 /nfs/dbraw/zinc/77/23/60/531772360.db2.gz 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[NH3+]C[C@H](O)CCc1cn([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nn1 ZINC000641109460 531778312 /nfs/dbraw/zinc/77/83/12/531778312.db2.gz RRVGQCLJAWJWGD-IUODEOHRSA-N 1 0 384.267 1.815 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N(C)C2CC([NH3+])C2)s1 ZINC000417499072 531778475 /nfs/dbraw/zinc/77/84/75/531778475.db2.gz DUBGNGMMGLCMRM-UHFFFAOYSA-N 1 0 388.559 1.452 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)CCc2cccc(Cl)c2)C1 ZINC000508528127 531778649 /nfs/dbraw/zinc/77/86/49/531778649.db2.gz LACXFALRQBFPKR-OAHLLOKOSA-N 1 0 387.933 1.389 20 0 GDADRO O=C1CO[C@H]2CCN(Cc3nc(-c4cccc(Br)c4)no3)C[C@@H]2N1 ZINC000366800543 531779323 /nfs/dbraw/zinc/77/93/23/531779323.db2.gz LHYHYRCXZGOXAZ-STQMWFEESA-N 1 0 393.241 1.588 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc(C)c1Br ZINC000667399078 531779983 /nfs/dbraw/zinc/77/99/83/531779983.db2.gz AVCCNPXYOMDEKV-YPMHNXCESA-N 1 0 384.274 1.579 20 0 GDADRO O=C(NCc1cn(Cc2c(F)cccc2Br)nn1)C1CC[NH2+]CC1 ZINC000641131781 531780040 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GDADRO CC[NH+](CC)[C@@H](CNC(=O)NCCCCS(N)(=O)=O)c1ccsc1 ZINC000297364704 531784700 /nfs/dbraw/zinc/78/47/00/531784700.db2.gz ISHHUOROMSIYIU-AWEZNQCLSA-N 1 0 376.548 1.499 20 0 GDADRO C[NH2+]CCCNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000417789908 531784834 /nfs/dbraw/zinc/78/48/34/531784834.db2.gz MUGSBBKUKQYJHJ-UHFFFAOYSA-N 1 0 388.559 1.374 20 0 GDADRO CN(C(=O)c1ccc(Br)cc1-n1cnnn1)[C@@H]1CCC[N@H+](C)C1 ZINC000622813377 531784952 /nfs/dbraw/zinc/78/49/52/531784952.db2.gz WRKHNTBRVLSAHZ-GFCCVEGCSA-N 1 0 379.262 1.591 20 0 GDADRO CN(CCN1CC[NH2+]CC1)Cc1c(F)ccc(I)c1F ZINC000592428409 531785094 /nfs/dbraw/zinc/78/50/94/531785094.db2.gz JCYVMBRKGLKEBG-UHFFFAOYSA-N 1 0 395.235 1.906 20 0 GDADRO O=C(Nc1nc2cc(Br)ccn2n1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000297384071 531786180 /nfs/dbraw/zinc/78/61/80/531786180.db2.gz WUHWYFRNYCKXSA-GFCCVEGCSA-N 1 0 397.277 1.460 20 0 GDADRO NC(=O)C1(C[NH2+]Cc2ccc(F)cc2I)CCOCC1 ZINC000417870816 531786192 /nfs/dbraw/zinc/78/61/92/531786192.db2.gz ZILJANQJUVDAQQ-UHFFFAOYSA-N 1 0 392.212 1.802 20 0 GDADRO COC[C@H](C)OC[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641219665 531786343 /nfs/dbraw/zinc/78/63/43/531786343.db2.gz BOPNBDYWUIJLMN-PEYYIBSZSA-N 1 0 399.289 1.501 20 0 GDADRO COC[C@H](C)OC[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641219667 531786423 /nfs/dbraw/zinc/78/64/23/531786423.db2.gz BOPNBDYWUIJLMN-SGIREYDYSA-N 1 0 399.289 1.501 20 0 GDADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1(OCCO)CCOCC1 ZINC000282701041 531786959 /nfs/dbraw/zinc/78/69/59/531786959.db2.gz OXMDXTFEZQCWDL-UHFFFAOYSA-N 1 0 391.917 1.781 20 0 GDADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000269858356 531787029 /nfs/dbraw/zinc/78/70/29/531787029.db2.gz ICVUVTIZGQADAE-ZDUSSCGKSA-N 1 0 390.889 1.252 20 0 GDADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1Cl ZINC000269857792 531787251 /nfs/dbraw/zinc/78/72/51/531787251.db2.gz CFJRMYYMVVYIED-HNNXBMFYSA-N 1 0 378.256 1.369 20 0 GDADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)CC)C1 ZINC000510374992 531788202 /nfs/dbraw/zinc/78/82/02/531788202.db2.gz IDPQQLMJJPSJLO-CYBMUJFWSA-N 1 0 387.468 1.439 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NCCC[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000417909490 531788510 /nfs/dbraw/zinc/78/85/10/531788510.db2.gz IDDUXBWNNUJCBX-AWEZNQCLSA-N 1 0 388.559 1.475 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000417911080 531788687 /nfs/dbraw/zinc/78/86/87/531788687.db2.gz KWJPRYRQAVHYHB-UONOGXRCSA-N 1 0 386.543 1.022 20 0 GDADRO O=C(NCc1ccc(O)c(Br)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417892572 531789473 /nfs/dbraw/zinc/78/94/73/531789473.db2.gz DICUVGBWXXWRSN-CYBMUJFWSA-N 1 0 383.290 1.344 20 0 GDADRO CCOC(=O)c1sc([C@H](C)NC(=O)N[C@H]2C[NH2+]CCC2(F)F)nc1C ZINC000417889750 531789629 /nfs/dbraw/zinc/78/96/29/531789629.db2.gz PKNAZVMNJBEZKZ-UWVGGRQHSA-N 1 0 376.429 1.986 20 0 GDADRO [NH3+]CCN(CCO)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081638 531801967 /nfs/dbraw/zinc/80/19/67/531801967.db2.gz OEGNLPUVARKBHB-GFCCVEGCSA-N 1 0 375.256 1.061 20 0 GDADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000269866430 531789696 /nfs/dbraw/zinc/78/96/96/531789696.db2.gz KUCNJRBPMMGJIH-LBPRGKRZSA-N 1 0 389.905 1.041 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000623018440 531790106 /nfs/dbraw/zinc/79/01/06/531790106.db2.gz IUVUPTVGULWZAJ-LBPRGKRZSA-N 1 0 398.301 1.934 20 0 GDADRO C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)CC[N@@H+]1C ZINC000623018953 531790304 /nfs/dbraw/zinc/79/03/04/531790304.db2.gz BCEIEKXDLKJWQF-CMPLNLGQSA-N 1 0 379.262 1.637 20 0 GDADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000417919580 531791402 /nfs/dbraw/zinc/79/14/02/531791402.db2.gz BTMAXIAETMIVKX-NXEZZACHSA-N 1 0 380.923 1.120 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)CC[N@@H+]1C ZINC000623018956 531791418 /nfs/dbraw/zinc/79/14/18/531791418.db2.gz BCEIEKXDLKJWQF-ZYHUDNBSSA-N 1 0 379.262 1.637 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000417988150 531794991 /nfs/dbraw/zinc/79/49/91/531794991.db2.gz RRAVPVSHUXXCNS-CQSZACIVSA-N 1 0 375.300 1.713 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418013153 531797874 /nfs/dbraw/zinc/79/78/74/531797874.db2.gz YTLBNFLLDLOGBW-AWEZNQCLSA-N 1 0 386.290 1.759 20 0 GDADRO [O-]c1c(Br)cc(CN2C[C@@H](O)[C@H](CO)C2)cc1Br ZINC000668235272 531798509 /nfs/dbraw/zinc/79/85/09/531798509.db2.gz HQJTWYRXQYNDRC-GZMMTYOYSA-N 1 0 381.064 1.702 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418046082 531799008 /nfs/dbraw/zinc/79/90/08/531799008.db2.gz GTJJONUGCYTBRF-CYBMUJFWSA-N 1 0 397.317 1.754 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1nn(C)cc1I ZINC000418245192 531818396 /nfs/dbraw/zinc/81/83/96/531818396.db2.gz BLHIEYXTDGQBBO-JOYOIKCWSA-N 1 0 391.257 1.436 20 0 GDADRO C[NH2+]CCCNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418274121 531818595 /nfs/dbraw/zinc/81/85/95/531818595.db2.gz 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GDADRO O=C(NC[C@H](CO)Cc1ccccc1Br)NC[C@H]1CCC[NH2+]C1 ZINC000418307717 531821395 /nfs/dbraw/zinc/82/13/95/531821395.db2.gz AVDOVXONEAYBOI-UONOGXRCSA-N 1 0 384.318 1.899 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418729751 531835676 /nfs/dbraw/zinc/83/56/76/531835676.db2.gz OINWPUVNHCKFRF-NWDGAFQWSA-N 1 0 376.270 1.776 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000270177772 531836817 /nfs/dbraw/zinc/83/68/17/531836817.db2.gz WLPBQGJYJLAAQI-CYBMUJFWSA-N 1 0 386.543 1.269 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418760346 531837806 /nfs/dbraw/zinc/83/78/06/531837806.db2.gz KGIGVLGIVKYWRX-CQSZACIVSA-N 1 0 385.306 1.503 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000270179217 531838297 /nfs/dbraw/zinc/83/82/97/531838297.db2.gz WLPBQGJYJLAAQI-ZDUSSCGKSA-N 1 0 386.543 1.269 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418778315 531839488 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GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418834445 531849434 /nfs/dbraw/zinc/84/94/34/531849434.db2.gz ONGNWSHQDPSGTG-BYCMXARLSA-N 1 0 380.286 1.537 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418838777 531850206 /nfs/dbraw/zinc/85/02/06/531850206.db2.gz BQZWZVIRXZSTBS-LALPHHSUSA-N 1 0 382.302 1.611 20 0 GDADRO COC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000641750708 531851224 /nfs/dbraw/zinc/85/12/24/531851224.db2.gz OLNQYSREYHVMPP-OAHLLOKOSA-N 1 0 393.311 1.801 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418841663 531851488 /nfs/dbraw/zinc/85/14/88/531851488.db2.gz HAFAPWUCTQKERY-SWLSCSKDSA-N 1 0 382.302 1.755 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418841870 531852252 /nfs/dbraw/zinc/85/22/52/531852252.db2.gz FURUIQCTSDSXGN-GFCCVEGCSA-N 1 0 386.265 1.505 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418841674 531852328 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GDADRO [NH3+]C1(CNS(=O)(=O)c2ccc(Cl)cc2Br)CCOCC1 ZINC000624387151 531841261 /nfs/dbraw/zinc/84/12/61/531841261.db2.gz HVELTJBOTWDCRQ-UHFFFAOYSA-N 1 0 383.695 1.889 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CCOCC1 ZINC000624387417 531841412 /nfs/dbraw/zinc/84/14/12/531841412.db2.gz OWGCVXHZJZXALT-UHFFFAOYSA-N 1 0 385.230 1.514 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418798766 531841431 /nfs/dbraw/zinc/84/14/31/531841431.db2.gz AEQCHDVKBDDGJT-GMTAPVOTSA-N 1 0 386.315 1.741 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418796106 531841483 /nfs/dbraw/zinc/84/14/83/531841483.db2.gz SVQYWUUFIYHRLX-BXUZGUMPSA-N 1 0 390.253 1.299 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1cncc(I)c1 ZINC000270214486 531842337 /nfs/dbraw/zinc/84/23/37/531842337.db2.gz OPKACBPKPVKTBX-UHFFFAOYSA-N 1 0 377.226 1.336 20 0 GDADRO O=C([C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000563445312 531844518 /nfs/dbraw/zinc/84/45/18/531844518.db2.gz AUKSXEJZANZRKX-HNNXBMFYSA-N 1 0 385.917 1.314 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cnn2cc(Br)cnc12 ZINC000367535477 531845279 /nfs/dbraw/zinc/84/52/79/531845279.db2.gz IHVMPYKGSWEDGL-RYUDHWBXSA-N 1 0 380.246 1.085 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000624405976 531845328 /nfs/dbraw/zinc/84/53/28/531845328.db2.gz RXUBSTVNSXDESM-JQWIXIFHSA-N 1 0 389.905 1.469 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C1CC1 ZINC000418809772 531845318 /nfs/dbraw/zinc/84/53/18/531845318.db2.gz NJPAZLXFMVVDMH-ZLKJLUDKSA-N 1 0 384.249 1.414 20 0 GDADRO COc1ccc(CCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1Br ZINC000563441217 531845609 /nfs/dbraw/zinc/84/56/09/531845609.db2.gz LHMVPHZQFFLKES-GXTWGEPZSA-N 1 0 396.285 1.161 20 0 GDADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418822753 531846202 /nfs/dbraw/zinc/84/62/02/531846202.db2.gz BCTGXAAIXOPHOI-JKSUJKDBSA-N 1 0 392.297 1.847 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000298082068 531847636 /nfs/dbraw/zinc/84/76/36/531847636.db2.gz KYKXBBHQGUHUBK-HUUCEWRRSA-N 1 0 390.937 1.570 20 0 GDADRO CSC1(CNS(=O)(=O)c2cccc3c2OCCCO3)CC[NH+](C)CC1 ZINC000593595087 531847831 /nfs/dbraw/zinc/84/78/31/531847831.db2.gz BJBQSUHSEPSKHJ-UHFFFAOYSA-N 1 0 386.539 1.954 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418828950 531848113 /nfs/dbraw/zinc/84/81/13/531848113.db2.gz IMDQEZFWUGGOSO-LUYZLQTOSA-N 1 0 392.297 1.489 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000418935066 531865841 /nfs/dbraw/zinc/86/58/41/531865841.db2.gz GAMSUEZEAQSJSB-UHFFFAOYSA-N 1 0 384.274 1.330 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000418935720 531866310 /nfs/dbraw/zinc/86/63/10/531866310.db2.gz MOFZNIZHHWHURU-OAHLLOKOSA-N 1 0 394.313 1.807 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H](C)C[NH2+]C)c1 ZINC000595119103 531866519 /nfs/dbraw/zinc/86/65/19/531866519.db2.gz LUVJNIGRKZHICR-SECBINFHSA-N 1 0 379.276 1.512 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000642982594 531866563 /nfs/dbraw/zinc/86/65/63/531866563.db2.gz YDTKNFMKGDCWOI-CYBMUJFWSA-N 1 0 398.301 1.674 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)CC2 ZINC000642980577 531867222 /nfs/dbraw/zinc/86/72/22/531867222.db2.gz HIVVCPLDABRTBP-CQSZACIVSA-N 1 0 394.313 1.901 20 0 GDADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418940407 531867413 /nfs/dbraw/zinc/86/74/13/531867413.db2.gz JCNPGUVBANXAKJ-UKRRQHHQSA-N 1 0 380.286 1.811 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418944372 531869115 /nfs/dbraw/zinc/86/91/15/531869115.db2.gz NRGJSOCTVRABGO-VCTAVGKDSA-N 1 0 380.286 1.667 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)c1ccc(Br)cc1 ZINC000418866626 531858411 /nfs/dbraw/zinc/85/84/11/531858411.db2.gz OHFYKCSBDGLCAN-UHIISALHSA-N 1 0 398.301 1.856 20 0 GDADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000563633567 531858435 /nfs/dbraw/zinc/85/84/35/531858435.db2.gz LXNGBLGJFFFBRQ-ISVAXAHUSA-N 1 0 384.299 1.436 20 0 GDADRO O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642408101 531859647 /nfs/dbraw/zinc/85/96/47/531859647.db2.gz WCSJEIIGDGJREH-MFKMUULPSA-N 1 0 378.885 1.776 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCO1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000563674001 531859776 /nfs/dbraw/zinc/85/97/76/531859776.db2.gz PVOHXQBXOFCKMX-JSGCOSHPSA-N 1 0 390.889 1.022 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418881437 531860028 /nfs/dbraw/zinc/86/00/28/531860028.db2.gz HJKTWGUTGSSHMU-UFBFGSQYSA-N 1 0 386.221 1.006 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418881435 531860707 /nfs/dbraw/zinc/86/07/07/531860707.db2.gz HJKTWGUTGSSHMU-PRHODGIISA-N 1 0 386.221 1.006 20 0 GDADRO O=S(=O)(CC1CCS(=O)(=O)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000367777397 531861500 /nfs/dbraw/zinc/86/15/00/531861500.db2.gz HSSUOZOHKXCUOI-UHFFFAOYSA-N 1 0 392.587 1.528 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1cccc(Br)c1 ZINC000642710662 531861614 /nfs/dbraw/zinc/86/16/14/531861614.db2.gz CGKIVFIXBROYIQ-YWPYICTPSA-N 1 0 380.286 1.837 20 0 GDADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)C(=O)N[C@@H]1CSC1(C)C ZINC000418911983 531861979 /nfs/dbraw/zinc/86/19/79/531861979.db2.gz WEOUIEWIJWZMSP-GXTWGEPZSA-N 1 0 382.555 1.400 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418913652 531862162 /nfs/dbraw/zinc/86/21/62/531862162.db2.gz AMQOZZRFHUCENB-CQSZACIVSA-N 1 0 380.286 1.465 20 0 GDADRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000283432607 531863071 /nfs/dbraw/zinc/86/30/71/531863071.db2.gz BFLKPCGNLHUFKF-UHFFFAOYSA-N 1 0 384.318 1.908 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)Oc1cccc(Br)c1 ZINC000642777608 531863982 /nfs/dbraw/zinc/86/39/82/531863982.db2.gz TVJXUCBKXMZQPO-LBPRGKRZSA-N 1 0 398.301 1.672 20 0 GDADRO C[C@H](CSCCF)[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000595018120 531864511 /nfs/dbraw/zinc/86/45/11/531864511.db2.gz QEBLJLCXHQBBRO-OAHLLOKOSA-N 1 0 390.550 1.214 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418925568 531865362 /nfs/dbraw/zinc/86/53/62/531865362.db2.gz RTMJDZGTUPGGOX-PWSUYJOCSA-N 1 0 386.265 1.443 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000642946691 531865425 /nfs/dbraw/zinc/86/54/25/531865425.db2.gz WPXUINVJTBUJPY-MRXNPFEDSA-N 1 0 388.917 1.465 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000418948957 531870549 /nfs/dbraw/zinc/87/05/49/531870549.db2.gz UJMCGMYSACJNOP-YGRLFVJLSA-N 1 0 388.295 1.881 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000418948082 531871123 /nfs/dbraw/zinc/87/11/23/531871123.db2.gz MNHXABHHRDATID-LBPRGKRZSA-N 1 0 398.301 1.530 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CCNS(=O)(=O)c1cccs1)c1ccsc1 ZINC000298267016 531871274 /nfs/dbraw/zinc/87/12/74/531871274.db2.gz ACRVGAGLNPPKMM-CYBMUJFWSA-N 1 0 387.552 1.897 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000419035156 531884322 /nfs/dbraw/zinc/88/43/22/531884322.db2.gz FKZQLPOZYJLHDD-NSHDSACASA-N 1 0 380.901 1.976 20 0 GDADRO COC[C@H](CCO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000564975626 531872560 /nfs/dbraw/zinc/87/25/60/531872560.db2.gz NUHFXLCNCUHYMW-RYUDHWBXSA-N 1 0 382.682 1.829 20 0 GDADRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(Cl)cc1I ZINC000564970340 531873352 /nfs/dbraw/zinc/87/33/52/531873352.db2.gz HKYWJFZONRMZLG-UHFFFAOYSA-N 1 0 388.658 1.785 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccccc1I ZINC000595251596 531873554 /nfs/dbraw/zinc/87/35/54/531873554.db2.gz ONGCCMWFSNUHRU-UHFFFAOYSA-N 1 0 385.205 1.179 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000418967471 531874033 /nfs/dbraw/zinc/87/40/33/531874033.db2.gz FYWUQPAKIWPLQI-UHFFFAOYSA-N 1 0 394.273 1.152 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000298301621 531875133 /nfs/dbraw/zinc/87/51/33/531875133.db2.gz LGLVPFGBXIWZRC-OAHLLOKOSA-N 1 0 381.523 1.754 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(I)cn1)N1CC[NH+](C)CC1 ZINC000455657726 531875814 /nfs/dbraw/zinc/87/58/14/531875814.db2.gz CUQKTPDBMSXQHC-NSHDSACASA-N 1 0 388.253 1.052 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000418986967 531875952 /nfs/dbraw/zinc/87/59/52/531875952.db2.gz GTBDIDIWFMUXHM-GXTWGEPZSA-N 1 0 382.302 1.612 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000419001257 531877235 /nfs/dbraw/zinc/87/72/35/531877235.db2.gz AACQQAYCBIZZHG-MDZLAQPJSA-N 1 0 398.301 1.831 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000419004525 531878602 /nfs/dbraw/zinc/87/86/02/531878602.db2.gz FKVRZKJXLXYYFY-AAEUAGOBSA-N 1 0 398.301 1.845 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NCCC[NH2+]C2CC2)cc1Br ZINC000419003776 531878898 /nfs/dbraw/zinc/87/88/98/531878898.db2.gz DGNFUNNVQCAJIS-NSHDSACASA-N 1 0 398.301 1.893 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1Br ZINC000419005105 531879188 /nfs/dbraw/zinc/87/91/88/531879188.db2.gz FOKDKLMTCFJIOE-SDDRHHMPSA-N 1 0 398.301 1.831 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000419016524 531880094 /nfs/dbraw/zinc/88/00/94/531880094.db2.gz DQDFSJKERKXQFM-GWCFXTLKSA-N 1 0 382.258 1.196 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1Br ZINC000419012299 531880402 /nfs/dbraw/zinc/88/04/02/531880402.db2.gz VTQJNWPLKDXMQO-QWRGUYRKSA-N 1 0 384.274 1.455 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419015729 531880488 /nfs/dbraw/zinc/88/04/88/531880488.db2.gz CHTQWDBDSLIMLI-WCQYABFASA-N 1 0 382.258 1.209 20 0 GDADRO C[C@H](NC(=O)C(=O)NCC[NH+]1CCC(C)CC1)c1ccc(Br)cn1 ZINC000283631278 531880528 /nfs/dbraw/zinc/88/05/28/531880528.db2.gz ABXHSYBJPMICEQ-ZDUSSCGKSA-N 1 0 397.317 1.869 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1Br ZINC000419013027 531880668 /nfs/dbraw/zinc/88/06/68/531880668.db2.gz YKQQXMPUGNQFAR-YPMHNXCESA-N 1 0 398.301 1.893 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000419016526 531880686 /nfs/dbraw/zinc/88/06/86/531880686.db2.gz DQDFSJKERKXQFM-MFKMUULPSA-N 1 0 382.258 1.196 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)CCc2ccc(Br)cc2)C1 ZINC000419016871 531881428 /nfs/dbraw/zinc/88/14/28/531881428.db2.gz FNXUKDIIPIFYKC-IUODEOHRSA-N 1 0 382.302 1.707 20 0 GDADRO CO[C@@H]1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[C@H](C[NH3+])C1 ZINC000566248478 531881617 /nfs/dbraw/zinc/88/16/17/531881617.db2.gz FBAXXPXRZLDCKH-NWDGAFQWSA-N 1 0 375.878 1.290 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419021404 531881951 /nfs/dbraw/zinc/88/19/51/531881951.db2.gz MAVISZFDAFBIMS-JSGCOSHPSA-N 1 0 396.285 1.599 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000566247054 531882034 /nfs/dbraw/zinc/88/20/34/531882034.db2.gz LPVFBOVIFWOFNV-MRVPVSSYSA-N 1 0 387.811 1.443 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419027533 531882905 /nfs/dbraw/zinc/88/29/05/531882905.db2.gz WCLQVVFDIZZNLB-NHYWBVRUSA-N 1 0 382.302 1.740 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418943111 531869631 /nfs/dbraw/zinc/86/96/31/531869631.db2.gz MGQSQAVTRHPNST-HFAKWTLXSA-N 1 0 380.286 1.748 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c(C)c1Cl ZINC000367830799 531869827 /nfs/dbraw/zinc/86/98/27/531869827.db2.gz FCXNRXLBMXUCIV-VIFPVBQESA-N 1 0 378.903 1.917 20 0 GDADRO COc1cc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000367833369 531869968 /nfs/dbraw/zinc/86/99/68/531869968.db2.gz RNHTYISKOYHADB-ZDUSSCGKSA-N 1 0 375.288 1.878 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000643394453 531870009 /nfs/dbraw/zinc/87/00/09/531870009.db2.gz KVDWUJBATUCWCD-MRXNPFEDSA-N 1 0 394.313 1.708 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418946694 531870347 /nfs/dbraw/zinc/87/03/47/531870347.db2.gz LSXFQAWPYQVHTN-CYBMUJFWSA-N 1 0 398.301 1.532 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000283509726 531870308 /nfs/dbraw/zinc/87/03/08/531870308.db2.gz QBVJXVQIIISESM-UHFFFAOYSA-N 1 0 398.301 1.674 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419050510 531891454 /nfs/dbraw/zinc/89/14/54/531891454.db2.gz DDFKSONECUTQQA-ZYHUDNBSSA-N 1 0 386.265 1.585 20 0 GDADRO CC[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000647004402 531891944 /nfs/dbraw/zinc/89/19/44/531891944.db2.gz KQLIOADNIGGCKX-ABAIWWIYSA-N 1 0 375.441 1.219 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000566721143 531892798 /nfs/dbraw/zinc/89/27/98/531892798.db2.gz BZXXEIIULLPQEK-AWEZNQCLSA-N 1 0 397.317 1.927 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000595931902 531893218 /nfs/dbraw/zinc/89/32/18/531893218.db2.gz HZJWWTSTGTWKIO-XVKPBYJWSA-N 1 0 382.148 1.872 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419056125 531893327 /nfs/dbraw/zinc/89/33/27/531893327.db2.gz PWDZVBVKVYTDPL-CMPLNLGQSA-N 1 0 386.265 1.504 20 0 GDADRO O=C(NCc1cccc(Br)c1Cl)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419058513 531895066 /nfs/dbraw/zinc/89/50/66/531895066.db2.gz WCWUOBGKYSNPLU-NSHDSACASA-N 1 0 388.693 1.977 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000298495594 531895193 /nfs/dbraw/zinc/89/51/93/531895193.db2.gz NXPDZRJDFPXSSG-CQSZACIVSA-N 1 0 389.543 1.090 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419057309 531895543 /nfs/dbraw/zinc/89/55/43/531895543.db2.gz UHKWBZUSADVXLK-UMVBOHGHSA-N 1 0 396.329 1.940 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000419061680 531895748 /nfs/dbraw/zinc/89/57/48/531895748.db2.gz GMXGXFIUQPRHPX-UHFFFAOYSA-N 1 0 388.295 1.493 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419062982 531896601 /nfs/dbraw/zinc/89/66/01/531896601.db2.gz AZXCGKKCFPKMDA-ZDUSSCGKSA-N 1 0 397.317 1.117 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000368143508 531896797 /nfs/dbraw/zinc/89/67/97/531896797.db2.gz DJFGWBDZSWXJDL-CQSZACIVSA-N 1 0 387.889 1.394 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000298516029 531897182 /nfs/dbraw/zinc/89/71/82/531897182.db2.gz SCQPRVKVOHQTER-CYBMUJFWSA-N 1 0 389.543 1.085 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419076026 531897690 /nfs/dbraw/zinc/89/76/90/531897690.db2.gz VMLHHPWRGOTABH-KOLCDFICSA-N 1 0 388.693 1.914 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)[C@@H](C)C[NH2+]1 ZINC000419077840 531897710 /nfs/dbraw/zinc/89/77/10/531897710.db2.gz KAKVOKYOYYACIF-STQMWFEESA-N 1 0 394.313 1.806 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000647732723 531897704 /nfs/dbraw/zinc/89/77/04/531897704.db2.gz VFFUICKTVGLFAD-QWRGUYRKSA-N 1 0 379.404 1.179 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419080788 531898248 /nfs/dbraw/zinc/89/82/48/531898248.db2.gz XOEGALGGOATCEI-ZDUSSCGKSA-N 1 0 397.317 1.247 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccccc1Br ZINC000283716019 531886883 /nfs/dbraw/zinc/88/68/83/531886883.db2.gz FOKZHASUZXBQTF-CYBMUJFWSA-N 1 0 382.302 1.866 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)C1 ZINC000419040061 531887137 /nfs/dbraw/zinc/88/71/37/531887137.db2.gz LQGOVLKJGLRPKD-JQWIXIFHSA-N 1 0 386.265 1.790 20 0 GDADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419041064 531887191 /nfs/dbraw/zinc/88/71/91/531887191.db2.gz NDRLQQATIVXTOP-NSHDSACASA-N 1 0 386.265 1.710 20 0 GDADRO C[C@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)N1CCc2ccccc2C1 ZINC000298446233 531888587 /nfs/dbraw/zinc/88/85/87/531888587.db2.gz IQZYVHNOJYBOCC-RHSMWYFYSA-N 1 0 382.551 1.470 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CCN2C1=O ZINC000566496443 531889356 /nfs/dbraw/zinc/88/93/56/531889356.db2.gz RNJUREWNSNMFOY-QPUJVOFHSA-N 1 0 397.806 1.291 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)[C@H](C)C[NH2+]1 ZINC000419045021 531889521 /nfs/dbraw/zinc/88/95/21/531889521.db2.gz VLXNDQKFHAIZEL-JTNHKYCSSA-N 1 0 396.285 1.598 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)C[C@@H]1C[NH3+] ZINC000419045266 531889760 /nfs/dbraw/zinc/88/97/60/531889760.db2.gz VURRWZLIJYTERC-PWSUYJOCSA-N 1 0 386.265 1.648 20 0 GDADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419046711 531889875 /nfs/dbraw/zinc/88/98/75/531889875.db2.gz YWKOIYIIDXVPDK-UHFFFAOYSA-N 1 0 384.249 1.630 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)C[C@@H]1[NH+](C)C ZINC000270536484 531889880 /nfs/dbraw/zinc/88/98/80/531889880.db2.gz WMNVAPBWWJNGQI-UONOGXRCSA-N 1 0 375.491 1.315 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000419086850 531899492 /nfs/dbraw/zinc/89/94/92/531899492.db2.gz YPLNHBANVOIQLG-UHFFFAOYSA-N 1 0 380.539 1.955 20 0 GDADRO NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000368089836 531890687 /nfs/dbraw/zinc/89/06/87/531890687.db2.gz ODVDYJJJOIIBHD-ZDUSSCGKSA-N 1 0 383.861 1.069 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419049916 531890920 /nfs/dbraw/zinc/89/09/20/531890920.db2.gz BUTFRXCWHDOTFH-ZANVPECISA-N 1 0 388.693 1.833 20 0 GDADRO CC1([NH3+])CCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000647926960 531905085 /nfs/dbraw/zinc/90/50/85/531905085.db2.gz UBIMQVTYHDNFRQ-UHFFFAOYSA-N 1 0 383.290 1.317 20 0 GDADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(N2CCOCC2)CC1 ZINC000625554116 531905418 /nfs/dbraw/zinc/90/54/18/531905418.db2.gz IVWFDICQVGCTME-KRWDZBQOSA-N 1 0 399.329 1.985 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000647985015 531905837 /nfs/dbraw/zinc/90/58/37/531905837.db2.gz XYTMUCADJAAZTG-GFCCVEGCSA-N 1 0 386.294 1.677 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368364800 531906097 /nfs/dbraw/zinc/90/60/97/531906097.db2.gz XNKGDEXVLIAJSZ-QQUHWDOBSA-N 1 0 387.299 1.193 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1Br ZINC000419163401 531906894 /nfs/dbraw/zinc/90/68/94/531906894.db2.gz JUELUPMIUJKEJZ-KRWDZBQOSA-N 1 0 380.286 1.586 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000419161645 531907239 /nfs/dbraw/zinc/90/72/39/531907239.db2.gz DYBHHCOTYJOYFM-KRWDZBQOSA-N 1 0 388.295 1.824 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000568491128 531908259 /nfs/dbraw/zinc/90/82/59/531908259.db2.gz GPDGOYLHYKYKNC-DOMZBBRYSA-N 1 0 395.301 1.631 20 0 GDADRO [NH3+][C@H]1CCc2nc(NC(=O)CCNS(=O)(=O)c3cccs3)sc2C1 ZINC000648137601 531908310 /nfs/dbraw/zinc/90/83/10/531908310.db2.gz RZHLLGJACKCWBV-VIFPVBQESA-N 1 0 386.524 1.328 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419168007 531908639 /nfs/dbraw/zinc/90/86/39/531908639.db2.gz RHEGFPHIUGTGJN-CYBMUJFWSA-N 1 0 382.302 1.961 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000568510543 531908968 /nfs/dbraw/zinc/90/89/68/531908968.db2.gz REJWSFRVRQCDBJ-LLVKDONJSA-N 1 0 384.274 1.686 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000419184619 531909876 /nfs/dbraw/zinc/90/98/76/531909876.db2.gz GGNSVCUFDWCRNU-FZMZJTMJSA-N 1 0 398.301 1.337 20 0 GDADRO C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)CCC(F)(F)F)c1 ZINC000283944050 531911987 /nfs/dbraw/zinc/91/19/87/531911987.db2.gz QYGDDTZYCCTQDD-UHFFFAOYSA-N 1 0 381.420 1.350 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000647858598 531900157 /nfs/dbraw/zinc/90/01/57/531900157.db2.gz DYTXEKZVZYFPNB-SNVBAGLBSA-N 1 0 380.297 1.482 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000647863968 531900305 /nfs/dbraw/zinc/90/03/05/531900305.db2.gz OCZLOOGQTHLBRX-RISCZKNCSA-N 1 0 377.304 1.271 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000419119622 531900874 /nfs/dbraw/zinc/90/08/74/531900874.db2.gz SGBNKVJISXUSFW-CMPLNLGQSA-N 1 0 388.331 1.803 20 0 GDADRO O=C(NCCc1ccc(Br)s1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419112859 531900938 /nfs/dbraw/zinc/90/09/38/531900938.db2.gz KRFGLVSKBIROCW-UHFFFAOYSA-N 1 0 386.315 1.595 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000567800531 531901271 /nfs/dbraw/zinc/90/12/71/531901271.db2.gz UVMATZKUMRWGLP-SECBINFHSA-N 1 0 375.313 1.588 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCCc2ccc(Br)s2)CCCCC1 ZINC000419120134 531901433 /nfs/dbraw/zinc/90/14/33/531901433.db2.gz SWUQRCXXKHFUBI-UHFFFAOYSA-N 1 0 388.331 1.947 20 0 GDADRO O=C(NCCc1ccc(Br)s1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419106641 531901663 /nfs/dbraw/zinc/90/16/63/531901663.db2.gz DBZPKJDLAVAOON-WDEREUQCSA-N 1 0 386.315 1.237 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)Cc1cccc(Br)c1)N1CCOCC1 ZINC000283959637 531914087 /nfs/dbraw/zinc/91/40/87/531914087.db2.gz ZWVKAGHEYHZXCD-OAHLLOKOSA-N 1 0 399.329 1.827 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000419147793 531904468 /nfs/dbraw/zinc/90/44/68/531904468.db2.gz IKYBUNWVADCAGQ-LLVKDONJSA-N 1 0 394.273 1.105 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000596047843 531904653 /nfs/dbraw/zinc/90/46/53/531904653.db2.gz BWPJNQGYOQRDHT-AWEZNQCLSA-N 1 0 391.287 1.656 20 0 GDADRO NS(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000625867125 531917344 /nfs/dbraw/zinc/91/73/44/531917344.db2.gz AUNLAMZRCPPUDJ-CABZTGNLSA-N 1 0 380.392 1.325 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1nn(C)cc1I ZINC000456511852 531918903 /nfs/dbraw/zinc/91/89/03/531918903.db2.gz UHHRLUXMHXVHNZ-LLVKDONJSA-N 1 0 390.269 1.905 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000419260345 531918960 /nfs/dbraw/zinc/91/89/60/531918960.db2.gz NUOJHDPMGJTWJE-VXGBXAGGSA-N 1 0 384.274 1.140 20 0 GDADRO 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GDADRO COCC[NH2+]CCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000271019368 531955469 /nfs/dbraw/zinc/95/54/69/531955469.db2.gz AEWUGZHNTVKBLI-JOCHJYFZSA-N 1 0 391.331 1.689 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)s1 ZINC000299081909 531955581 /nfs/dbraw/zinc/95/55/81/531955581.db2.gz YUIHTZFXONYMPG-UHFFFAOYSA-N 1 0 375.560 1.824 20 0 GDADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419754039 531965521 /nfs/dbraw/zinc/96/55/21/531965521.db2.gz OOJKZAMFGBQICL-UONOGXRCSA-N 1 0 388.295 1.617 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419762651 531966029 /nfs/dbraw/zinc/96/60/29/531966029.db2.gz SJMQNKWHCBSEFL-ABAIWWIYSA-N 1 0 387.311 1.788 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1Cl ZINC000271105237 531966401 /nfs/dbraw/zinc/96/64/01/531966401.db2.gz OOPQDFPYJASVFW-ZIAGYGMSSA-N 1 0 392.930 1.793 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(=O)N1CCC[NH2+]CC1 ZINC000419762769 531966870 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20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000419814499 531974194 /nfs/dbraw/zinc/97/41/94/531974194.db2.gz JGYZEVJVTGHRQU-GXTWGEPZSA-N 1 0 382.302 1.564 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419826257 531974962 /nfs/dbraw/zinc/97/49/62/531974962.db2.gz QVCNMFORKROPME-FZKQIMNGSA-N 1 0 394.313 1.708 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C[C@@H](C)O1 ZINC000573134344 531976934 /nfs/dbraw/zinc/97/69/34/531976934.db2.gz GNJZOMUWQDFPHQ-VXGBXAGGSA-N 1 0 389.905 1.217 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCCCCC2)c(C)c[nH+]1 ZINC000656384592 531977066 /nfs/dbraw/zinc/97/70/66/531977066.db2.gz HVXPHKOHYCLUOM-UHFFFAOYSA-N 1 0 389.543 1.458 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](C)C2)c(C)c[nH+]1 ZINC000656386111 531978637 /nfs/dbraw/zinc/97/86/37/531978637.db2.gz BWODGZHFRGDIAX-CYBMUJFWSA-N 1 0 389.543 1.314 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000419987040 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[NH3+]C1(CNC(=O)C(=O)N2CCOc3ccc(Br)cc3C2)CCC1 ZINC000420129255 532004029 /nfs/dbraw/zinc/00/40/29/532004029.db2.gz PXWBJWGCNOQKJK-UHFFFAOYSA-N 1 0 382.258 1.168 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000420119509 532004400 /nfs/dbraw/zinc/00/44/00/532004400.db2.gz JEVZVHBYQMGNOT-OCCSQVGLSA-N 1 0 398.301 1.543 20 0 GDADRO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000599088756 532004398 /nfs/dbraw/zinc/00/43/98/532004398.db2.gz MOILPLPTAXBFBK-OAHLLOKOSA-N 1 0 383.286 1.965 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1F ZINC000599101567 532004444 /nfs/dbraw/zinc/00/44/44/532004444.db2.gz RAFIOIXLJHBRTR-MXWKQRLJSA-N 1 0 376.425 1.745 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000599100507 532004743 /nfs/dbraw/zinc/00/47/43/532004743.db2.gz IEKMEWQACQDTTK-YPMHNXCESA-N 1 0 380.388 1.621 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000599100526 532004824 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O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cccc(I)c1 ZINC000579687308 532062296 /nfs/dbraw/zinc/06/22/96/532062296.db2.gz SMLQBLDKFHSIGQ-UHFFFAOYSA-N 1 0 387.221 1.346 20 0 GDADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000373092228 532063542 /nfs/dbraw/zinc/06/35/42/532063542.db2.gz IPCAEXZQCNBUNK-CHWSQXEVSA-N 1 0 384.274 1.150 20 0 GDADRO CCCN(CCC[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 ZINC000468424717 532066006 /nfs/dbraw/zinc/06/60/06/532066006.db2.gz FHISZXHNRXREAY-UHFFFAOYSA-N 1 0 376.567 1.564 20 0 GDADRO O=S(=O)(CCCS(=O)(=O)Nc1c[nH]cn1)NCC1CCCCCC1 ZINC000579733003 532066116 /nfs/dbraw/zinc/06/61/16/532066116.db2.gz GLBPHMKSWFSIJN-UHFFFAOYSA-N 1 0 378.520 1.431 20 0 GDADRO CC(C)[C@H]([NH3+])c1cn(Cc2cc(=O)n3cc(Br)ccc3n2)nn1 ZINC000322142218 532069268 /nfs/dbraw/zinc/06/92/68/532069268.db2.gz JWGAEAVBYAYYSU-HNNXBMFYSA-N 1 0 377.246 1.753 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000422902257 532069274 /nfs/dbraw/zinc/06/92/74/532069274.db2.gz MMUIVXUCGLWPEZ-IXPVHAAZSA-N 1 0 377.268 1.616 20 0 GDADRO CNC(=O)CN1CCC([NH2+]Cc2ncc(I)s2)CC1 ZINC000285336255 532069687 /nfs/dbraw/zinc/06/96/87/532069687.db2.gz CIERSKYKJADXPA-UHFFFAOYSA-N 1 0 394.282 1.048 20 0 GDADRO O=C(NCCc1nccs1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000285330431 532068565 /nfs/dbraw/zinc/06/85/65/532068565.db2.gz UKRBPQCRZYXPQC-UHFFFAOYSA-N 1 0 382.555 1.280 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)CC[NH2+]1 ZINC000423077177 532070273 /nfs/dbraw/zinc/07/02/73/532070273.db2.gz LKYFEROVRAJORG-LBPRGKRZSA-N 1 0 380.286 1.760 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423087896 532070947 /nfs/dbraw/zinc/07/09/47/532070947.db2.gz PABHSOZHEQWJGR-UONOGXRCSA-N 1 0 380.286 1.475 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C[C@H]1[NH3+] ZINC000423081532 532071206 /nfs/dbraw/zinc/07/12/06/532071206.db2.gz VEVMGJAEOHRRNK-XHDPSFHLSA-N 1 0 380.286 1.746 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423109600 532073002 /nfs/dbraw/zinc/07/30/02/532073002.db2.gz NWSZYTVUMYKDFV-WBVHZDCISA-N 1 0 387.933 1.283 20 0 GDADRO C[C@H]1C[C@H](N(C)C(=O)c2nn(C)cc2I)CC[N@@H+]1C ZINC000602268798 532073166 /nfs/dbraw/zinc/07/31/66/532073166.db2.gz OMOOFEARNGZVHE-VHSXEESVSA-N 1 0 376.242 1.579 20 0 GDADRO COC(=O)[C@H](NC(=O)c1cn(CCC[NH3+])nn1)c1ccc(Br)cc1 ZINC000423112387 532072567 /nfs/dbraw/zinc/07/25/67/532072567.db2.gz XJQROCANVBUBAT-CYBMUJFWSA-N 1 0 396.245 1.034 20 0 GDADRO O=C(CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000325666385 532075046 /nfs/dbraw/zinc/07/50/46/532075046.db2.gz LFBWZAKKEVFSSK-CYBMUJFWSA-N 1 0 377.268 1.572 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423461205 532075412 /nfs/dbraw/zinc/07/54/12/532075412.db2.gz UIELMERQLGAEEM-ZFWWWQNUSA-N 1 0 394.313 1.784 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)CCN1C1CC[NH+](C)CC1 ZINC000469739038 532077728 /nfs/dbraw/zinc/07/77/28/532077728.db2.gz CZRLEPAHQXIFLB-GFCCVEGCSA-N 1 0 397.317 1.790 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000423494549 532075801 /nfs/dbraw/zinc/07/58/01/532075801.db2.gz AUXINAVKLFUSKS-ABAIWWIYSA-N 1 0 398.301 1.612 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)c(F)c2)C1 ZINC000423513333 532076669 /nfs/dbraw/zinc/07/66/69/532076669.db2.gz RFRASCQUJYXFOA-ZYHUDNBSSA-N 1 0 386.265 1.742 20 0 GDADRO CCOc1c(Cl)cc(CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)cc1OC ZINC000602444398 532076765 /nfs/dbraw/zinc/07/67/65/532076765.db2.gz LKFFEEDIJROWJQ-RUZDIDTESA-N 1 0 388.917 1.864 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423513810 532076720 /nfs/dbraw/zinc/07/67/20/532076720.db2.gz RNVQLGAHHKRWRE-UHFFFAOYSA-N 1 0 388.281 1.990 20 0 GDADRO C[S@@](=O)C1(C(=O)NCc2ccc(OCC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000602440438 532077331 /nfs/dbraw/zinc/07/73/31/532077331.db2.gz TXSABDHHJILIMU-RUZDIDTESA-N 1 0 378.416 1.745 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000423728117 532079061 /nfs/dbraw/zinc/07/90/61/532079061.db2.gz VTUVHJSXCKUZFF-SMDDNHRTSA-N 1 0 384.274 1.155 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000423728114 532079619 /nfs/dbraw/zinc/07/96/19/532079619.db2.gz VTUVHJSXCKUZFF-RISCZKNCSA-N 1 0 384.274 1.155 20 0 GDADRO [NH3+]C1(CNC(=O)COc2ccc(I)cc2)CCOCC1 ZINC000602539588 532079632 /nfs/dbraw/zinc/07/96/32/532079632.db2.gz RNOINGLCLOROEV-UHFFFAOYSA-N 1 0 390.221 1.294 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](CC[NH3+])c3ccccc32)cc1 ZINC000327452198 532083627 /nfs/dbraw/zinc/08/36/27/532083627.db2.gz ULBGVSVGWDXING-ZDUSSCGKSA-N 1 0 380.491 1.731 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000470591461 532085025 /nfs/dbraw/zinc/08/50/25/532085025.db2.gz RMEAPIUXTGVVRD-CYBMUJFWSA-N 1 0 388.295 1.777 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272270051 532089210 /nfs/dbraw/zinc/08/92/10/532089210.db2.gz BCHLFHXSPZTWAF-DGCLKSJQSA-N 1 0 381.274 1.644 20 0 GDADRO CN(CCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)S(=O)(=O)c1cccs1 ZINC000272311034 532091575 /nfs/dbraw/zinc/09/15/75/532091575.db2.gz AIIDDQGUOFTVSC-KGLIPLIRSA-N 1 0 386.543 1.104 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424549587 532099378 /nfs/dbraw/zinc/09/93/78/532099378.db2.gz RQVYLYPTZKQAGB-ZETCQYMHSA-N 1 0 395.628 1.024 20 0 GDADRO CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)C1(C(=O)OC)CCC1 ZINC000272346504 532092235 /nfs/dbraw/zinc/09/22/35/532092235.db2.gz CNEIUFPNCYYRKK-QWHCGFSZSA-N 1 0 375.512 1.594 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)N[C@H](C)C[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000424483673 532096570 /nfs/dbraw/zinc/09/65/70/532096570.db2.gz YOAAGIGZAJBQNX-DDTOSNHZSA-N 1 0 384.274 1.694 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000604496136 532098109 /nfs/dbraw/zinc/09/81/09/532098109.db2.gz UREROMVBHPCKFN-JSGCOSHPSA-N 1 0 389.518 1.175 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272549787 532104508 /nfs/dbraw/zinc/10/45/08/532104508.db2.gz CVLGKHKVDGATBS-WBMJQRKESA-N 1 0 385.917 1.757 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272549784 532104536 /nfs/dbraw/zinc/10/45/36/532104536.db2.gz CVLGKHKVDGATBS-MLGOLLRUSA-N 1 0 385.917 1.757 20 0 GDADRO COc1ncc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1Br ZINC000424750901 532106434 /nfs/dbraw/zinc/10/64/34/532106434.db2.gz LPZXKVVLTDAPBN-UHFFFAOYSA-N 1 0 386.290 1.772 20 0 GDADRO COC(=O)[C@H](CNC(=O)/C=C/C[NH+](C)C)Oc1ccc(Br)cc1 ZINC000285730852 532109130 /nfs/dbraw/zinc/10/91/30/532109130.db2.gz GNEPGEDDGJDNCZ-NNTXTVRGSA-N 1 0 385.258 1.604 20 0 GDADRO CS[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)C[C@@H]1[NH+](C)C ZINC000272697776 532110262 /nfs/dbraw/zinc/11/02/62/532110262.db2.gz DRZINYLBHOYJFV-IRXDYDNUSA-N 1 0 384.567 1.915 20 0 GDADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000374087942 532111162 /nfs/dbraw/zinc/11/11/62/532111162.db2.gz TVRKXDBNTQBPBI-YPMHNXCESA-N 1 0 378.878 1.102 20 0 GDADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000329266973 532100551 /nfs/dbraw/zinc/10/05/51/532100551.db2.gz HOTMYVVDXLVFQY-UHFFFAOYSA-N 1 0 380.576 1.193 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H](c1cccc(F)c1)N(C)C ZINC000272835534 532117278 /nfs/dbraw/zinc/11/72/78/532117278.db2.gz IQPZDNOUBFKWDP-GFCCVEGCSA-N 1 0 387.458 1.650 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285902038 532119520 /nfs/dbraw/zinc/11/95/20/532119520.db2.gz YJRDZHUOQCFDNK-INIZCTEOSA-N 1 0 376.906 1.323 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000285788281 532113564 /nfs/dbraw/zinc/11/35/64/532113564.db2.gz OSWGSJFWGHCSSA-LBPRGKRZSA-N 1 0 386.290 1.825 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000285823363 532114887 /nfs/dbraw/zinc/11/48/87/532114887.db2.gz GAYRDBIJLBPDOR-UHFFFAOYSA-N 1 0 398.301 1.628 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374831719 532138696 /nfs/dbraw/zinc/13/86/96/532138696.db2.gz BZCBNQKMOIDJRJ-UHFFFAOYSA-N 1 0 377.576 1.088 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425426924 532139164 /nfs/dbraw/zinc/13/91/64/532139164.db2.gz SXCFXHFGMKLXJF-HNNXBMFYSA-N 1 0 389.587 1.931 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000286056064 532129543 /nfs/dbraw/zinc/12/95/43/532129543.db2.gz LPBPQJHIYBLZFW-JRKPZEMJSA-N 1 0 390.303 1.213 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)NC[C@H]3CC[NH2+]C3)CC2=O)ccc1Br ZINC000273062858 532131894 /nfs/dbraw/zinc/13/18/94/532131894.db2.gz TURRQNCWOIYHND-QWHCGFSZSA-N 1 0 380.286 1.836 20 0 GDADRO O=C(CSCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000286154068 532134659 /nfs/dbraw/zinc/13/46/59/532134659.db2.gz QASAPFNXKDBCBV-MRXNPFEDSA-N 1 0 381.929 1.762 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000286215381 532137322 /nfs/dbraw/zinc/13/73/22/532137322.db2.gz YLIKIPPTPCBUID-OAHLLOKOSA-N 1 0 384.293 1.982 20 0 GDADRO CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000273523831 532153898 /nfs/dbraw/zinc/15/38/98/532153898.db2.gz QBRTZEMPJRFNJZ-JKSUJKDBSA-N 1 0 383.539 1.247 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2sccc2Cl)CC1 ZINC000331872950 532154381 /nfs/dbraw/zinc/15/43/81/532154381.db2.gz SXVGFYCGTRAAKI-UHFFFAOYSA-N 1 0 377.919 1.330 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c(C)o1 ZINC000273528283 532154757 /nfs/dbraw/zinc/15/47/57/532154757.db2.gz QPPNJNAWCKTQKP-KBPBESRZSA-N 1 0 387.527 1.148 20 0 GDADRO COc1ccc(C[NH2+]CCC(=O)N2CCN(C(C)=O)CC2)c(Br)c1 ZINC000286395995 532146996 /nfs/dbraw/zinc/14/69/96/532146996.db2.gz HDXCLCOXRWPUSU-UHFFFAOYSA-N 1 0 398.301 1.628 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000273386327 532147360 /nfs/dbraw/zinc/14/73/60/532147360.db2.gz CLPBBLROSUEUNJ-ZDUSSCGKSA-N 1 0 388.559 1.398 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000331542998 532149811 /nfs/dbraw/zinc/14/98/11/532149811.db2.gz LPZGWLXABFYSLI-MRXNPFEDSA-N 1 0 381.274 1.693 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c1Br ZINC000426314038 532167596 /nfs/dbraw/zinc/16/75/96/532167596.db2.gz OTLSROHATJTVSS-JTQLQIEISA-N 1 0 398.257 1.242 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c(Br)c1 ZINC000286512848 532155850 /nfs/dbraw/zinc/15/58/50/532155850.db2.gz MWIYAWGFVJQFMO-GFCCVEGCSA-N 1 0 377.304 1.971 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000331995118 532159865 /nfs/dbraw/zinc/15/98/65/532159865.db2.gz BEDYSAUMDCACPW-ZANVPECISA-N 1 0 384.249 1.592 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)Nc1ccncc1I ZINC000273649747 532162285 /nfs/dbraw/zinc/16/22/85/532162285.db2.gz AVIKMZOZEZYANG-UHFFFAOYSA-N 1 0 392.241 1.728 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2c(c(Br)c1)OCO2 ZINC000332088474 532163248 /nfs/dbraw/zinc/16/32/48/532163248.db2.gz JZGAHXICNHCPCG-GFCCVEGCSA-N 1 0 385.258 1.754 20 0 GDADRO CC1(C)[C@H](O)CC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000332099446 532164161 /nfs/dbraw/zinc/16/41/61/532164161.db2.gz BUWONEABGNKFLZ-CQSZACIVSA-N 1 0 387.311 1.882 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000332296091 532178098 /nfs/dbraw/zinc/17/80/98/532178098.db2.gz FFVVXAFOSVWVFZ-DMDPSCGWSA-N 1 0 381.274 1.677 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000332323272 532180351 /nfs/dbraw/zinc/18/03/51/532180351.db2.gz NXWLNMZSFDGQNO-CHWSQXEVSA-N 1 0 388.331 1.973 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)C[NH+](C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000286856241 532181697 /nfs/dbraw/zinc/18/16/97/532181697.db2.gz BPBCKZNRAYCFLJ-VHSXEESVSA-N 1 0 382.258 1.500 20 0 GDADRO CCc1n[nH]c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000375741719 532181754 /nfs/dbraw/zinc/18/17/54/532181754.db2.gz GRVAHRRIMHINBB-NSHDSACASA-N 1 0 385.306 1.965 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C[C@@H]1C[NH3+] ZINC000332231252 532172544 /nfs/dbraw/zinc/17/25/44/532172544.db2.gz DPUJBLAPCMRPNG-YPMHNXCESA-N 1 0 380.286 1.782 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000286742313 532172943 /nfs/dbraw/zinc/17/29/43/532172943.db2.gz YHEUWWFIBYLRRW-CQSZACIVSA-N 1 0 379.320 1.576 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)c2cnc3ccc(Br)cc3c2O)CCO1 ZINC000332505322 532191017 /nfs/dbraw/zinc/19/10/17/532191017.db2.gz FTDBZRJTWAFKGX-LBPRGKRZSA-N 1 0 394.269 1.693 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375975686 532191077 /nfs/dbraw/zinc/19/10/77/532191077.db2.gz RSANXTQDZNVMFL-CYBMUJFWSA-N 1 0 399.925 1.683 20 0 GDADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000427944351 532194217 /nfs/dbraw/zinc/19/42/17/532194217.db2.gz DPEXSOUNLSLASP-UHFFFAOYSA-N 1 0 389.905 1.090 20 0 GDADRO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)CCCC[NH3+])s1 ZINC000427945004 532194307 /nfs/dbraw/zinc/19/43/07/532194307.db2.gz IXGOCZKMCSXDIO-GFCCVEGCSA-N 1 0 397.588 1.026 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000427974000 532195704 /nfs/dbraw/zinc/19/57/04/532195704.db2.gz PBAMIYOEOHAIRO-LLVKDONJSA-N 1 0 389.905 1.547 20 0 GDADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332572234 532195791 /nfs/dbraw/zinc/19/57/91/532195791.db2.gz WXIILWIOYBCAKA-RKDXNWHRSA-N 1 0 388.212 1.734 20 0 GDADRO O=C(Nc1ccncc1I)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332568906 532195835 /nfs/dbraw/zinc/19/58/35/532195835.db2.gz VOUCHNSHYRCKLI-GMTAPVOTSA-N 1 0 386.237 1.618 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2c(c(Br)c1)OCO2 ZINC000332567764 532196165 /nfs/dbraw/zinc/19/61/65/532196165.db2.gz BQZVKXNXTDDCPI-GFCCVEGCSA-N 1 0 385.258 1.754 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)CC[C@@H]1[NH3+] ZINC000332572565 532196192 /nfs/dbraw/zinc/19/61/92/532196192.db2.gz BJCHWTYEYXDPOT-WQGACYEGSA-N 1 0 394.313 1.918 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1(c2cncc(Br)c2)CC1 ZINC000376135260 532197091 /nfs/dbraw/zinc/19/70/91/532197091.db2.gz QOZRRYATKRGQJG-LSDHHAIUSA-N 1 0 380.286 1.855 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332588800 532197754 /nfs/dbraw/zinc/19/77/54/532197754.db2.gz LDDSHLDMEKWPKZ-QWRGUYRKSA-N 1 0 384.249 1.903 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000332612246 532199980 /nfs/dbraw/zinc/19/99/80/532199980.db2.gz PXWZIAUNOOSQQZ-UHFFFAOYSA-N 1 0 384.249 1.423 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000287184209 532200708 /nfs/dbraw/zinc/20/07/08/532200708.db2.gz YCZJSEWPEWDOLR-VWLOTQADSA-N 1 0 387.571 1.302 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000332443243 532186767 /nfs/dbraw/zinc/18/67/67/532186767.db2.gz CQFAKVIZOPXLCE-XHDPSFHLSA-N 1 0 380.286 1.591 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C)CC2 ZINC000332474752 532188727 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CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000428605871 532212401 /nfs/dbraw/zinc/21/24/01/532212401.db2.gz IYCJRCJNBZZKHC-ZBFHGGJFSA-N 1 0 385.555 1.284 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000376405295 532213139 /nfs/dbraw/zinc/21/31/39/532213139.db2.gz DFKQPHXUVUBQSI-NEPJUHHUSA-N 1 0 391.946 1.765 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@H]1[NH+]1CCCC1 ZINC000333060239 532217957 /nfs/dbraw/zinc/21/79/57/532217957.db2.gz BAYDHVKDQHXXQM-OLZOCXBDSA-N 1 0 398.476 1.646 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000287491083 532218774 /nfs/dbraw/zinc/21/87/74/532218774.db2.gz GBQJLPALYGFTEZ-UHFFFAOYSA-N 1 0 390.253 1.530 20 0 GDADRO CC(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000274338209 532203148 /nfs/dbraw/zinc/20/31/48/532203148.db2.gz TXINYMBPHBPVSU-CYBMUJFWSA-N 1 0 377.894 1.135 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1F ZINC000332643723 532203422 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1.800 20 0 GDADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cncc(Br)c1 ZINC000287707988 532235863 /nfs/dbraw/zinc/23/58/63/532235863.db2.gz BPKAVEWHGRQXHC-RISCZKNCSA-N 1 0 381.274 1.868 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000429613891 532230731 /nfs/dbraw/zinc/23/07/31/532230731.db2.gz WVSGFANXOJRELE-CYBMUJFWSA-N 1 0 375.516 1.016 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000287646721 532231117 /nfs/dbraw/zinc/23/11/17/532231117.db2.gz JGLCRJCPFBOCOL-UWVGGRQHSA-N 1 0 378.420 1.577 20 0 GDADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333410722 532233787 /nfs/dbraw/zinc/23/37/87/532233787.db2.gz ZUMMDLGRZGJCME-TXEJJXNPSA-N 1 0 376.258 2.318 20 0 GDADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333136720 532221799 /nfs/dbraw/zinc/22/17/99/532221799.db2.gz KJEKIPHKIQSBAO-BETUJISGSA-N 1 0 395.301 1.969 20 0 GDADRO C[C@H]1CN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000429138786 532224130 /nfs/dbraw/zinc/22/41/30/532224130.db2.gz DKBBMQVFYPZMBD-FZMZJTMJSA-N 1 0 389.315 1.560 20 0 GDADRO O=C(Nc1nc2c(s1)CSCC2)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000376676398 532224239 /nfs/dbraw/zinc/22/42/39/532224239.db2.gz AOUCFLZIDMHNPV-GFCCVEGCSA-N 1 0 380.539 1.958 20 0 GDADRO O=C(Cc1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333562072 532239955 /nfs/dbraw/zinc/23/99/55/532239955.db2.gz WOZSYUVXVCDCPG-INIZCTEOSA-N 1 0 394.313 1.805 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333533910 532239981 /nfs/dbraw/zinc/23/99/81/532239981.db2.gz JQRHQQJRIXSCKL-SMDDNHRTSA-N 1 0 394.269 1.385 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc2nccnc2c1Br)C1CC1 ZINC000287791940 532241597 /nfs/dbraw/zinc/24/15/97/532241597.db2.gz WBQMMQKAHFMOQM-UHFFFAOYSA-N 1 0 392.257 1.541 20 0 GDADRO COc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)sc1S(N)(=O)=O ZINC000333613765 532242216 /nfs/dbraw/zinc/24/22/16/532242216.db2.gz HEVHSFPGMUBCMC-UHFFFAOYSA-N 1 0 387.527 1.541 20 0 GDADRO [NH3+]C1CCC(NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000333626874 532242438 /nfs/dbraw/zinc/24/24/38/532242438.db2.gz FZMDGOPQFUNSIW-UHFFFAOYSA-N 1 0 378.424 1.658 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000333651315 532243777 /nfs/dbraw/zinc/24/37/77/532243777.db2.gz VUYMCDHNUBIQLL-TUKIKUTGSA-N 1 0 395.301 1.994 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000333661238 532244185 /nfs/dbraw/zinc/24/41/85/532244185.db2.gz XAMHYGVTQNBMEU-MELADBBJSA-N 1 0 386.543 1.022 20 0 GDADRO O=C1C[C@H](NCc2ncc(I)s2)[C@H]2CCCCN12 ZINC000377168029 532245318 /nfs/dbraw/zinc/24/53/18/532245318.db2.gz ORARKHOKJUAHEV-DTWKUNHWSA-N 1 0 377.251 1.991 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000287871347 532246926 /nfs/dbraw/zinc/24/69/26/532246926.db2.gz DETIDVNBLHZMBE-UHFFFAOYSA-N 1 0 397.195 1.821 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C[C@H]2CCC[N@@H+]2C)s1 ZINC000333740139 532247576 /nfs/dbraw/zinc/24/75/76/532247576.db2.gz MGFARKPKPQRSTN-HUUCEWRRSA-N 1 0 385.555 1.762 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000287873068 532247979 /nfs/dbraw/zinc/24/79/79/532247979.db2.gz MQQGRCOBENXTJZ-SNVBAGLBSA-N 1 0 378.420 1.769 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000333824683 532251418 /nfs/dbraw/zinc/25/14/18/532251418.db2.gz LKGNSPUKNHHBDY-CYBMUJFWSA-N 1 0 388.299 1.599 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000333818294 532251611 /nfs/dbraw/zinc/25/16/11/532251611.db2.gz KLLIVBBHZLQRJO-NHAGDIPZSA-N 1 0 383.279 1.679 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000333842909 532252534 /nfs/dbraw/zinc/25/25/34/532252534.db2.gz OPAYTMUEJNNKEX-NILFDRSVSA-N 1 0 395.301 1.772 20 0 GDADRO CC(C)[C@@](C)(CN)[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000430592277 532252972 /nfs/dbraw/zinc/25/29/72/532252972.db2.gz PXNZGRAUTFNWGR-WMLDXEAASA-N 1 0 387.571 1.227 20 0 GDADRO CN(CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CC[NH2+]CC1 ZINC000430625210 532253737 /nfs/dbraw/zinc/25/37/37/532253737.db2.gz PZMMQZNTMFIZCU-UHFFFAOYSA-N 1 0 386.327 1.721 20 0 GDADRO O=C(Nc1cc2ccc(Br)cn2n1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000429941550 532238881 /nfs/dbraw/zinc/23/88/81/532238881.db2.gz KGTQEWXNAGMKFM-AWEZNQCLSA-N 1 0 376.258 2.575 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000274878170 532239661 /nfs/dbraw/zinc/23/96/61/532239661.db2.gz YXGPRFFLUBRSQY-IRXDYDNUSA-N 1 0 383.539 1.845 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CCC[C@H]([NH3+])C2)c1 ZINC000430641878 532254672 /nfs/dbraw/zinc/25/46/72/532254672.db2.gz NDBZYOFSMBLPNA-LBPRGKRZSA-N 1 0 388.921 1.342 20 0 GDADRO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430753105 532255805 /nfs/dbraw/zinc/25/58/05/532255805.db2.gz JGLMBAZFDWTKQY-VXNVDRBHSA-N 1 0 387.246 1.763 20 0 GDADRO CO[C@]1(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCOC1 ZINC000430724350 532256325 /nfs/dbraw/zinc/25/63/25/532256325.db2.gz NQIMRPGEYHWWLR-YGRLFVJLSA-N 1 0 393.303 1.553 20 0 GDADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430809297 532257427 /nfs/dbraw/zinc/25/74/27/532257427.db2.gz PNVWLGMBQXTGEK-CYBMUJFWSA-N 1 0 382.302 1.643 20 0 GDADRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC[C@@H]1[NH3+] ZINC000430923329 532257519 /nfs/dbraw/zinc/25/75/19/532257519.db2.gz CXMLGZJIUBUZIX-RISCZKNCSA-N 1 0 388.921 1.198 20 0 GDADRO C[C@@H]([NH3+])C1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000430954712 532258810 /nfs/dbraw/zinc/25/88/10/532258810.db2.gz KGJWIANFZCLQIU-GFCCVEGCSA-N 1 0 397.317 1.563 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)s1 ZINC000333964635 532259675 /nfs/dbraw/zinc/25/96/75/532259675.db2.gz PGFCKDSLYZWFHX-GFCCVEGCSA-N 1 0 386.543 1.282 20 0 GDADRO CCC[N@H+](C)CC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000431041213 532259802 /nfs/dbraw/zinc/25/98/02/532259802.db2.gz RSGJHXBISRTFCZ-UHFFFAOYSA-N 1 0 386.294 1.238 20 0 GDADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cncc(Br)c1 ZINC000288077878 532262087 /nfs/dbraw/zinc/26/20/87/532262087.db2.gz GXSFASREWZMQAI-FZMZJTMJSA-N 1 0 381.274 1.868 20 0 GDADRO CC[N@@H+]1CC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)C1 ZINC000334111997 532264384 /nfs/dbraw/zinc/26/43/84/532264384.db2.gz CRDTZNVZMUXGTE-CABCVRRESA-N 1 0 395.301 1.726 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)Cc1cccc(Br)c1 ZINC000288161241 532269140 /nfs/dbraw/zinc/26/91/40/532269140.db2.gz OHGUKWBZAWWATJ-UHFFFAOYSA-N 1 0 379.320 1.837 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cccnc1C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000288331400 532282732 /nfs/dbraw/zinc/28/27/32/532282732.db2.gz XDLDMRTXHJWTQN-GFCCVEGCSA-N 1 0 380.436 1.262 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000275169943 532273108 /nfs/dbraw/zinc/27/31/08/532273108.db2.gz SIWWAMVJZJEHAW-GXSJLCMTSA-N 1 0 384.221 1.667 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000288222852 532273302 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CN(Cc1ccccc1Br)C(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405332437 532307076 /nfs/dbraw/zinc/30/70/76/532307076.db2.gz DVTAEQASMCOSMY-LSDHHAIUSA-N 1 0 382.302 1.158 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000275783607 532310052 /nfs/dbraw/zinc/31/00/52/532310052.db2.gz NMALAZCOCHTGJP-CQSZACIVSA-N 1 0 389.543 1.042 20 0 GDADRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc(Br)cc1S(N)(=O)=O ZINC000275825861 532311287 /nfs/dbraw/zinc/31/12/87/532311287.db2.gz XDEDFTDGTYSSCF-MNOVXSKESA-N 1 0 390.303 1.405 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000289214136 532318401 /nfs/dbraw/zinc/31/84/01/532318401.db2.gz QHPZRWSTSJLUIL-WMLDXEAASA-N 1 0 386.539 1.585 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000289331116 532321426 /nfs/dbraw/zinc/32/14/26/532321426.db2.gz YDXNZRXOFCOOSK-NXEZZACHSA-N 1 0 378.420 1.892 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(CCNC(=O)OC)s2)C1 ZINC000276175113 532321598 /nfs/dbraw/zinc/32/15/98/532321598.db2.gz DJLCNHFVWFVPQG-ZDUSSCGKSA-N 1 0 389.543 1.751 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000289353395 532322353 /nfs/dbraw/zinc/32/23/53/532322353.db2.gz YFNXTGOEWYYTHV-LLVKDONJSA-N 1 0 388.281 1.655 20 0 GDADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)nc1 ZINC000289527488 532326902 /nfs/dbraw/zinc/32/69/02/532326902.db2.gz AAGCHIJSBCDUBD-HIFRSBDPSA-N 1 0 397.317 1.428 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289757451 532331704 /nfs/dbraw/zinc/33/17/04/532331704.db2.gz MVAJBMVPASPSLW-KBPBESRZSA-N 1 0 383.539 1.143 20 0 GDADRO NC(=O)C1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000289797890 532332274 /nfs/dbraw/zinc/33/22/74/532332274.db2.gz IDBLSYZGGKLMTQ-UHFFFAOYSA-N 1 0 394.273 1.402 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000289802133 532332347 /nfs/dbraw/zinc/33/23/47/532332347.db2.gz ZFIGBQWAJHSKGF-RYUDHWBXSA-N 1 0 391.946 1.623 20 0 GDADRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000289834210 532332904 /nfs/dbraw/zinc/33/29/04/532332904.db2.gz DUPBRQNNTGUCMZ-IOASZLSFSA-N 1 0 385.302 1.939 20 0 GDADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289846444 532333044 /nfs/dbraw/zinc/33/30/44/532333044.db2.gz BZEAGWKMISFTEI-ZENOOKHLSA-N 1 0 392.297 1.870 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000289950055 532334377 /nfs/dbraw/zinc/33/43/77/532334377.db2.gz SKWWFDGJZYYQPW-LLVKDONJSA-N 1 0 384.893 1.625 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000359963546 212129010 /nfs/dbraw/zinc/12/90/10/212129010.db2.gz ZYVIRCOBSMZXKQ-UONOGXRCSA-N 1 0 399.538 1.126 20 0 GDADRO C[C@H](NC(=O)NCC1(CO)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359906169 212123568 /nfs/dbraw/zinc/12/35/68/212123568.db2.gz WIUQUEWQVAHOKY-PKOBYXMFSA-N 1 0 375.513 1.985 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000030568167 221701079 /nfs/dbraw/zinc/70/10/79/221701079.db2.gz FBCMHQBLTFLQHZ-UHFFFAOYSA-N 1 0 385.530 1.797 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)NCc2nc(C)no2)[C@@H]1c1cnn(C)c1 ZINC000583623187 570801417 /nfs/dbraw/zinc/80/14/17/570801417.db2.gz WTTBGZCKUPZDOT-WMLDXEAASA-N 1 0 375.477 1.726 20 0 GDADRO Cc1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)nc1 ZINC000549937317 570929649 /nfs/dbraw/zinc/92/96/49/570929649.db2.gz QMBLOQFBDQLTOS-QGZVFWFLSA-N 1 0 382.512 1.326 20 0 GDADRO C[NH+]1CCC(CNC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)(N2CCOCC2)CC1 ZINC000334052185 570955678 /nfs/dbraw/zinc/95/56/78/570955678.db2.gz SNKVNVBXTUCOGK-QHAWAJNXSA-N 1 0 398.551 1.811 20 0 GDADRO CC[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736322191 598834363 /nfs/dbraw/zinc/83/43/63/598834363.db2.gz IWIJIQBAFVJGIK-CQSZACIVSA-N 1 0 380.518 1.606 20 0 GDADRO COc1ccc2[nH]cc(CC[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c2c1 ZINC000737116705 598837168 /nfs/dbraw/zinc/83/71/68/598837168.db2.gz WRBHOGMCDLGTKP-GFCCVEGCSA-N 1 0 393.455 1.427 20 0 GDADRO C[N@H+](CCCNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1)C1CCCCC1 ZINC000736801919 598841406 /nfs/dbraw/zinc/84/14/06/598841406.db2.gz WKUOQHCABPJVID-UHFFFAOYSA-N 1 0 396.492 1.939 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000737034173 598841768 /nfs/dbraw/zinc/84/17/68/598841768.db2.gz XLFGPPVBSBAYCN-AWEZNQCLSA-N 1 0 388.472 1.444 20 0 GDADRO COCC[N@@H+]1CCN(Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000737004041 598852767 /nfs/dbraw/zinc/85/27/67/598852767.db2.gz KOFLANXQOMVSNO-AWEZNQCLSA-N 1 0 397.487 1.044 20 0 GDADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)CC1 ZINC000736564702 598874061 /nfs/dbraw/zinc/87/40/61/598874061.db2.gz CQSUOPNXCFLVED-UHFFFAOYSA-N 1 0 384.893 1.625 20 0 GDADRO O=S(=O)(c1cccc(Cl)c1-c1nn[nH]n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000738355587 598874751 /nfs/dbraw/zinc/87/47/51/598874751.db2.gz QWAJQGOAZGNEGV-LLVKDONJSA-N 1 0 382.877 1.379 20 0 GDADRO O=S(=O)(c1cccc(Cl)c1-c1nn[nH]n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738355949 598875232 /nfs/dbraw/zinc/87/52/32/598875232.db2.gz WYPKCJWUMWDTQZ-LBPRGKRZSA-N 1 0 396.904 1.769 20 0 GDADRO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738392424 598887784 /nfs/dbraw/zinc/88/77/84/598887784.db2.gz DCZDKBJAOWABRF-UXHICEINSA-N 1 0 378.480 1.839 20 0 GDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000736771719 598922619 /nfs/dbraw/zinc/92/26/19/598922619.db2.gz OPTVULQEUWUEPU-UHFFFAOYSA-N 1 0 395.423 1.045 20 0 GDADRO COC(=O)CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCO1 ZINC000736913879 598947099 /nfs/dbraw/zinc/94/70/99/598947099.db2.gz ZJXQVNZODZVHNY-MRXNPFEDSA-N 1 0 375.429 1.290 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000737298083 598953768 /nfs/dbraw/zinc/95/37/68/598953768.db2.gz NURRTMYGHUMEQV-CYBMUJFWSA-N 1 0 392.529 1.964 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000737296762 598958331 /nfs/dbraw/zinc/95/83/31/598958331.db2.gz OHIODUHJPBOZMK-HUUCEWRRSA-N 1 0 376.486 1.422 20 0 GDADRO Cn1cc(C[N@@H+]2CCCN(c3c4ccccc4nnc3-c3nn[nH]n3)CC2)cn1 ZINC000737601293 598967371 /nfs/dbraw/zinc/96/73/71/598967371.db2.gz GULRTGHEMJOCNS-UHFFFAOYSA-N 1 0 390.455 1.256 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000737293671 598973446 /nfs/dbraw/zinc/97/34/46/598973446.db2.gz HXJPRKJNAWBPSN-INIZCTEOSA-N 1 0 385.472 1.940 20 0 GDADRO COc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)nc2)[NH+]2CCCC2)cc1 ZINC000737077850 598982104 /nfs/dbraw/zinc/98/21/04/598982104.db2.gz ZWQCEHAMSKISAY-GOSISDBHSA-N 1 0 393.451 1.837 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000737031664 598984482 /nfs/dbraw/zinc/98/44/82/598984482.db2.gz CKVOBLOJKYJCHF-IBGZPJMESA-N 1 0 382.424 1.244 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736572681 599046503 /nfs/dbraw/zinc/04/65/03/599046503.db2.gz ZSFBNKUALPYRBK-GFCCVEGCSA-N 1 0 398.437 1.966 20 0 GDADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000737739837 599071238 /nfs/dbraw/zinc/07/12/38/599071238.db2.gz KUERXRIAVYTOOM-ZIFCJYIRSA-N 1 0 389.463 1.461 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(-c3nn[nH]n3)cc2OC)[C@H](C)C1 ZINC000736565608 599081043 /nfs/dbraw/zinc/08/10/43/599081043.db2.gz MLLVLZCUYFNMPS-HIFRSBDPSA-N 1 0 388.472 1.443 20 0 GDADRO COc1ccc2[nH]cc(CC[NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)c2c1 ZINC000737115310 599099388 /nfs/dbraw/zinc/09/93/88/599099388.db2.gz NTWVHEFEZKLHSJ-GOSISDBHSA-N 1 0 391.435 1.715 20 0 GDADRO C[C@H](CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736025604 599099569 /nfs/dbraw/zinc/09/95/69/599099569.db2.gz LWUKGIAKSLHBCD-RDTXWAMCSA-N 1 0 379.468 1.503 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736295241 599102425 /nfs/dbraw/zinc/10/24/25/599102425.db2.gz ZVMBLIQQNUEPAW-MLGOLLRUSA-N 1 0 395.471 1.047 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@H](N2CC=CC2)C1 ZINC000737521482 599251799 /nfs/dbraw/zinc/25/17/99/599251799.db2.gz AHQZDYRGPROTNB-KRWDZBQOSA-N 1 0 377.456 1.337 20 0 GDADRO Cc1ccc(NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c(OCC[NH+](C)C)c1 ZINC000822254617 607318011 /nfs/dbraw/zinc/31/80/11/607318011.db2.gz ODQCRODCYBVAIH-AWEZNQCLSA-N 1 0 397.487 1.466 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000823188128 599280013 /nfs/dbraw/zinc/28/00/13/599280013.db2.gz VJEMVKBSACRTEY-ZDUSSCGKSA-N 1 0 377.424 1.364 20 0 GDADRO C[C@@H](NC(=O)CCc1ccc(-c2nn[nH]n2)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000736105397 599280339 /nfs/dbraw/zinc/28/03/39/599280339.db2.gz NVDIXVJZMJOUDF-MRXNPFEDSA-N 1 0 398.511 1.949 20 0 GDADRO O=C1[C@H]([NH2+]C[C@H]2CCCn3ccnc32)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290529 599289606 /nfs/dbraw/zinc/28/96/06/599289606.db2.gz PQHGLHRHKLDWKG-GDBMZVCRSA-N 1 0 378.440 1.336 20 0 GDADRO Cc1nc(CN(C)[C@@H]2CC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737471600 599289973 /nfs/dbraw/zinc/28/99/73/599289973.db2.gz LDYROLIEGUBSKM-OAHLLOKOSA-N 1 0 384.444 1.143 20 0 GDADRO CCCN(CC[NH+](C)C)C(=O)CCc1c(C)nc2c(-c3nn[nH]n3)cnn2c1C ZINC000736481667 598239756 /nfs/dbraw/zinc/23/97/56/598239756.db2.gz ZGXGKFYZAFPRET-UHFFFAOYSA-N 1 0 399.503 1.259 20 0 GDADRO C[NH+](C)CCCCC(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000736759907 598258419 /nfs/dbraw/zinc/25/84/19/598258419.db2.gz ZKRGHUUOGIEDAE-UHFFFAOYSA-N 1 0 375.452 1.386 20 0 GDADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000738103642 598261029 /nfs/dbraw/zinc/26/10/29/598261029.db2.gz NEXHCIPIQMADIE-UHFFFAOYSA-N 1 0 392.463 1.753 20 0 GDADRO NC(=O)C1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737746334 598285333 /nfs/dbraw/zinc/28/53/33/598285333.db2.gz RSTNNMDSKNJMPT-UHFFFAOYSA-N 1 0 392.467 1.253 20 0 GDADRO C[C@H](C(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736236987 598286124 /nfs/dbraw/zinc/28/61/24/598286124.db2.gz NBBKAOMPDOPSKY-BZUAXINKSA-N 1 0 383.500 1.777 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000820126953 607350114 /nfs/dbraw/zinc/35/01/14/607350114.db2.gz FVKJJXSQFWLSHM-UHFFFAOYSA-N 1 0 397.527 1.426 20 0 GDADRO C[C@@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736264184 598334483 /nfs/dbraw/zinc/33/44/83/598334483.db2.gz CCUYCXNMKDHTDG-CQSZACIVSA-N 1 0 383.456 1.710 20 0 GDADRO Cc1nc(CN2CCC[C@H]([N@H+](C)Cc3cc(-c4nn[nH]n4)ccc3F)C2)no1 ZINC000737478444 598347075 /nfs/dbraw/zinc/34/70/75/598347075.db2.gz SCUULZYMRLDNDO-HNNXBMFYSA-N 1 0 386.435 1.794 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000735560768 598350639 /nfs/dbraw/zinc/35/06/39/598350639.db2.gz GVFNUKASYXWKEL-ZIAGYGMSSA-N 1 0 381.444 1.197 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000736860274 598353041 /nfs/dbraw/zinc/35/30/41/598353041.db2.gz NGUGQYJFBOBCPM-KGLIPLIRSA-N 1 0 375.502 1.815 20 0 GDADRO CCn1ccnc1CN1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736722456 598367002 /nfs/dbraw/zinc/36/70/02/598367002.db2.gz MLTCBZQRUZUXJL-UHFFFAOYSA-N 1 0 396.499 1.670 20 0 GDADRO COc1ccc(C[C@@H](C)[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)cc1OC ZINC000737086241 598388033 /nfs/dbraw/zinc/38/80/33/598388033.db2.gz GHLBECOTFFMABU-GFCCVEGCSA-N 1 0 394.439 1.647 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736457039 598405849 /nfs/dbraw/zinc/40/58/49/598405849.db2.gz KNEQOZRDUMMWGS-KRWDZBQOSA-N 1 0 399.499 1.367 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000737033735 598418075 /nfs/dbraw/zinc/41/80/75/598418075.db2.gz ROISVLADVKRGNP-UHFFFAOYSA-N 1 0 392.379 1.474 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)COc1ccccc1-c1nn[nH]n1 ZINC000736770060 598424600 /nfs/dbraw/zinc/42/46/00/598424600.db2.gz YSIYHOVFFXXXPS-UHFFFAOYSA-N 1 0 381.440 1.231 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736860408 598428756 /nfs/dbraw/zinc/42/87/56/598428756.db2.gz PKMZXGLKKOJNRN-KRWDZBQOSA-N 1 0 384.488 1.501 20 0 GDADRO O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738356095 598472750 /nfs/dbraw/zinc/47/27/50/598472750.db2.gz WXODWDVWYQXPCD-LBPRGKRZSA-N 1 0 380.449 1.255 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738024204 598498247 /nfs/dbraw/zinc/49/82/47/598498247.db2.gz JMGROJNLFRXFKA-SJLPKXTDSA-N 1 0 381.484 1.436 20 0 GDADRO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000737108993 598519117 /nfs/dbraw/zinc/51/91/17/598519117.db2.gz MPDONLCWDLCRPR-RYUDHWBXSA-N 1 0 384.444 1.473 20 0 GDADRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000737615694 598521866 /nfs/dbraw/zinc/52/18/66/598521866.db2.gz KPUOSHXHDXWFDQ-BBRMVZONSA-N 1 0 390.455 1.218 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000738432150 598522464 /nfs/dbraw/zinc/52/24/64/598522464.db2.gz CGWDZGAZOCADLB-SJORKVTESA-N 1 0 393.499 1.359 20 0 GDADRO CC(C)COc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735845579 598524313 /nfs/dbraw/zinc/52/43/13/598524313.db2.gz YODFDKADQIOJHQ-CQSZACIVSA-N 1 0 382.472 1.930 20 0 GDADRO CC(C)c1ccc(OCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735928165 598524609 /nfs/dbraw/zinc/52/46/09/598524609.db2.gz HGQJCQJKVVSGNV-CQSZACIVSA-N 1 0 382.472 1.897 20 0 GDADRO Cc1cccc2[nH]cc(CC[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c21 ZINC000737407867 598529518 /nfs/dbraw/zinc/52/95/18/598529518.db2.gz ITHSCRPQQIKLCT-CYBMUJFWSA-N 1 0 377.456 1.727 20 0 GDADRO CCn1c(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)nc2ccccc21 ZINC000736721007 598530817 /nfs/dbraw/zinc/53/08/17/598530817.db2.gz ZJYHLQCXFCPSIV-GFCCVEGCSA-N 1 0 378.444 1.264 20 0 GDADRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737088494 598531918 /nfs/dbraw/zinc/53/19/18/598531918.db2.gz RHFFKCJGGLLZDJ-GXTWGEPZSA-N 1 0 398.471 1.343 20 0 GDADRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737088506 598532250 /nfs/dbraw/zinc/53/22/50/598532250.db2.gz RHFFKCJGGLLZDJ-JSGCOSHPSA-N 1 0 398.471 1.343 20 0 GDADRO Cc1cc(N2CCO[C@H](C[NH+](C)C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737272962 598544972 /nfs/dbraw/zinc/54/49/72/598544972.db2.gz WSQZQWKFEKRICC-CQSZACIVSA-N 1 0 392.467 1.743 20 0 GDADRO O=C(C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)NC1CC1 ZINC000737895697 598562112 /nfs/dbraw/zinc/56/21/12/598562112.db2.gz QKPQENBOKRJXGW-UHFFFAOYSA-N 1 0 378.436 1.814 20 0 GDADRO O=C1NCCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000738316237 598562565 /nfs/dbraw/zinc/56/25/65/598562565.db2.gz QJZWKBROODTKRY-GOSISDBHSA-N 1 0 378.436 1.814 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000736746784 598580267 /nfs/dbraw/zinc/58/02/67/598580267.db2.gz OGWPNMAYQRWPLA-UHFFFAOYSA-N 1 0 379.415 1.500 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736757444 598600612 /nfs/dbraw/zinc/60/06/12/598600612.db2.gz STLWQDDVRHRMSO-CQSZACIVSA-N 1 0 382.424 1.815 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000736757442 598601019 /nfs/dbraw/zinc/60/10/19/598601019.db2.gz STLWQDDVRHRMSO-AWEZNQCLSA-N 1 0 382.424 1.815 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736859397 598618568 /nfs/dbraw/zinc/61/85/68/598618568.db2.gz GXRNBWYVKOENHJ-GOSISDBHSA-N 1 0 385.516 1.347 20 0 GDADRO O=C(CC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccccc1-c1nn[nH]n1 ZINC000737844867 598618624 /nfs/dbraw/zinc/61/86/24/598618624.db2.gz WUQXKCHYWPMZEB-JSGCOSHPSA-N 1 0 384.362 1.583 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000738411407 598622116 /nfs/dbraw/zinc/62/21/16/598622116.db2.gz DOVXKVNSPCKTAU-GOSISDBHSA-N 1 0 386.500 1.822 20 0 GDADRO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000737769511 598631380 /nfs/dbraw/zinc/63/13/80/598631380.db2.gz MBOSRJUGHNUXNJ-CQSZACIVSA-N 1 0 399.480 1.201 20 0 GDADRO CN(C(=O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000736769051 598667953 /nfs/dbraw/zinc/66/79/53/598667953.db2.gz NQAPAGQDSQGEKL-UHFFFAOYSA-N 1 0 396.451 1.849 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736571438 598681067 /nfs/dbraw/zinc/68/10/67/598681067.db2.gz RKSSEMQOYQYPIT-NSHDSACASA-N 1 0 377.836 1.059 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736237014 598716274 /nfs/dbraw/zinc/71/62/74/598716274.db2.gz NJQORSJLMHEAOB-HZPDHXFCSA-N 1 0 387.507 1.996 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736858752 598720342 /nfs/dbraw/zinc/72/03/42/598720342.db2.gz BBNHQDMSHATEQH-HNNXBMFYSA-N 1 0 379.424 1.878 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](c2ccncn2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842850 598759594 /nfs/dbraw/zinc/75/95/94/598759594.db2.gz DGWNKYISCRDJCN-CQSZACIVSA-N 1 0 378.440 1.865 20 0 GDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=S)Nc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736850825 598761870 /nfs/dbraw/zinc/76/18/70/598761870.db2.gz CIFZBCVRPBVJRW-CYBMUJFWSA-N 1 0 386.529 1.322 20 0 GDADRO Cc1nc(CC[N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)no1 ZINC000737471624 598764524 /nfs/dbraw/zinc/76/45/24/598764524.db2.gz MASJCPPACKUJJA-UHFFFAOYSA-N 1 0 390.835 1.715 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCc2nccn2C1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736133758 598786300 /nfs/dbraw/zinc/78/63/00/598786300.db2.gz SAIQOLCPIFRMHV-MNOVXSKESA-N 1 0 398.496 1.545 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736132432 599300470 /nfs/dbraw/zinc/30/04/70/599300470.db2.gz OABMCRBGBNFALJ-IIYDPXPESA-N 1 0 397.483 1.430 20 0 GDADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000821592864 599341890 /nfs/dbraw/zinc/34/18/90/599341890.db2.gz ZFXITPNCPWQXCB-LBPRGKRZSA-N 1 0 382.877 1.377 20 0 GDADRO 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CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000821002840 599369890 /nfs/dbraw/zinc/36/98/90/599369890.db2.gz ZFUWCKNMRKCITE-LSDHHAIUSA-N 1 0 376.486 1.422 20 0 GDADRO S=C(Nc1ccccc1-c1nn[nH]n1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000738410217 599371048 /nfs/dbraw/zinc/37/10/48/599371048.db2.gz WZRAERWFBGSYTL-UHFFFAOYSA-N 1 0 387.513 1.608 20 0 GDADRO O=C(C=Cc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000737801378 599391663 /nfs/dbraw/zinc/39/16/63/599391663.db2.gz TUQMSILTHUOKSA-DWTRPJMMSA-N 1 0 382.468 1.497 20 0 GDADRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000821841646 599399537 /nfs/dbraw/zinc/39/95/37/599399537.db2.gz KXRKNSWKFADMST-INIZCTEOSA-N 1 0 385.424 1.716 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000736146623 599428152 /nfs/dbraw/zinc/42/81/52/599428152.db2.gz JDAIQHCVBFTSAQ-CQSZACIVSA-N 1 0 381.484 1.944 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000821584638 599442954 /nfs/dbraw/zinc/44/29/54/599442954.db2.gz MHWNNBAQRAULCU-INIZCTEOSA-N 1 0 389.504 1.911 20 0 GDADRO CC(C)(C)OC(=O)CCCCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000819928437 599462205 /nfs/dbraw/zinc/46/22/05/599462205.db2.gz PCIFYZSOEJGSNL-ZDUSSCGKSA-N 1 0 390.492 1.597 20 0 GDADRO COc1ccc(OC)c(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000737109454 599486481 /nfs/dbraw/zinc/48/64/81/599486481.db2.gz RGXPTUZDDBTOIN-UHFFFAOYSA-N 1 0 379.424 1.864 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000738167231 599502349 /nfs/dbraw/zinc/50/23/49/599502349.db2.gz PTIPMICORKYTMH-LBPRGKRZSA-N 1 0 389.435 1.628 20 0 GDADRO C[C@@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)[NH+]1CCN(C)CC1 ZINC000820274032 599518330 /nfs/dbraw/zinc/51/83/30/599518330.db2.gz CBEDHBVCIUJQSZ-NSHDSACASA-N 1 0 388.426 1.163 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NCC[N@@H+]1CCOCC1(C)C ZINC000822204128 599523799 /nfs/dbraw/zinc/52/37/99/599523799.db2.gz FMCIMSBFMVJUPV-UHFFFAOYSA-N 1 0 385.447 1.807 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)N1CCC[C@H](O)C1 ZINC000735570582 599566471 /nfs/dbraw/zinc/56/64/71/599566471.db2.gz NYNIWXHBROHNRL-NEPJUHHUSA-N 1 0 390.513 1.981 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@H](C)C[NH+]1CCOCC1 ZINC000822204569 599566600 /nfs/dbraw/zinc/56/66/00/599566600.db2.gz SWZMEGAPSDECJJ-LBPRGKRZSA-N 1 0 385.447 1.665 20 0 GDADRO CC[C@@H]1CN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC[N@@H+]1C[C@H](C)O ZINC000820995398 599574364 /nfs/dbraw/zinc/57/43/64/599574364.db2.gz QUIPPITVAVXWKT-XJKSGUPXSA-N 1 0 398.471 1.194 20 0 GDADRO COCCOC[C@@H]1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000821692209 599586715 /nfs/dbraw/zinc/58/67/15/599586715.db2.gz QYCYPNNGAAJODS-CQSZACIVSA-N 1 0 377.445 1.239 20 0 GDADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738355934 599598102 /nfs/dbraw/zinc/59/81/02/599598102.db2.gz WLJAFEPLZBSVAA-HNNXBMFYSA-N 1 0 376.486 1.506 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000822312863 599605900 /nfs/dbraw/zinc/60/59/00/599605900.db2.gz JGTUSEUIQQKONZ-HNNXBMFYSA-N 1 0 397.483 1.591 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822319175 599606100 /nfs/dbraw/zinc/60/61/00/599606100.db2.gz LKJUFAQXYXSWNX-KBPBESRZSA-N 1 0 385.472 1.493 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(-n2cccn2)c1 ZINC000820419174 599647254 /nfs/dbraw/zinc/64/72/54/599647254.db2.gz FIUXXZIZSOOIPL-KGLIPLIRSA-N 1 0 390.455 1.641 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC[N@@H+]1C ZINC000820657485 599676107 /nfs/dbraw/zinc/67/61/07/599676107.db2.gz LXSJBYIICJLULW-CABCVRRESA-N 1 0 384.488 1.181 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000821689882 599676568 /nfs/dbraw/zinc/67/65/68/599676568.db2.gz QGZNXRORVDCURB-RHSMWYFYSA-N 1 0 387.488 1.507 20 0 GDADRO COC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000821682822 599676675 /nfs/dbraw/zinc/67/66/75/599676675.db2.gz OIYMYGQMFWJLKE-QGZVFWFLSA-N 1 0 389.504 1.611 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000822146355 599694781 /nfs/dbraw/zinc/69/47/81/599694781.db2.gz XSGASYLLYJJRGT-HNNXBMFYSA-N 1 0 390.513 1.528 20 0 GDADRO CN(CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)c1cccs1 ZINC000821602780 607390429 /nfs/dbraw/zinc/39/04/29/607390429.db2.gz URJWHWJNYJVLQN-UHFFFAOYSA-N 1 0 378.483 1.339 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000737519844 599822599 /nfs/dbraw/zinc/82/25/99/599822599.db2.gz IZNFNXAKTSREEX-QGZVFWFLSA-N 1 0 375.473 1.109 20 0 GDADRO CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cc1-c1nn[nH]n1 ZINC000820159993 607436147 /nfs/dbraw/zinc/43/61/47/607436147.db2.gz CGGGNYJSUXXSQI-UHFFFAOYSA-N 1 0 389.460 1.049 20 0 GDADRO CC[NH+]1CCN(CCC(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)CC1 ZINC000821266455 607440975 /nfs/dbraw/zinc/44/09/75/607440975.db2.gz DEDAZBCDZPYHCE-UHFFFAOYSA-N 1 0 387.488 1.620 20 0 GDADRO O=C(CCN1CC[N@@H+]2CCC[C@@H]2C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000822969640 607450002 /nfs/dbraw/zinc/45/00/02/607450002.db2.gz VDZDWCQGLHQHQH-GFCCVEGCSA-N 1 0 387.513 1.526 20 0 GDADRO O=C([O-])C1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000739592291 600563857 /nfs/dbraw/zinc/56/38/57/600563857.db2.gz HWYDXMAOXFDDLW-UHFFFAOYSA-N 1 0 375.473 1.100 20 0 GDADRO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000825977472 600824497 /nfs/dbraw/zinc/82/44/97/600824497.db2.gz ICTASHUTMAFSGY-MRXNPFEDSA-N 1 0 381.517 1.275 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821575501 607480900 /nfs/dbraw/zinc/48/09/00/607480900.db2.gz DYPSCLGVJZSYMU-UHFFFAOYSA-N 1 0 375.452 1.038 20 0 GDADRO O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826410600 607478159 /nfs/dbraw/zinc/47/81/59/607478159.db2.gz RVQHUTHJPUWDET-WFASDCNBSA-N 1 0 387.513 1.815 20 0 GDADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000823557386 607488007 /nfs/dbraw/zinc/48/80/07/607488007.db2.gz KPUCQDRDJYXVCI-UHFFFAOYSA-N 1 0 380.449 1.052 20 0 GDADRO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)c(OCC[NH+](C)C)c1 ZINC000832946761 601134429 /nfs/dbraw/zinc/13/44/29/601134429.db2.gz OROGHBZGSLZMNP-INIZCTEOSA-N 1 0 392.500 1.948 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829765343 601220051 /nfs/dbraw/zinc/22/00/51/601220051.db2.gz QHGCWBAXQLHIML-AWEZNQCLSA-N 1 0 387.502 1.323 20 0 GDADRO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@@H]1C(=O)[O-] ZINC000828438567 601536515 /nfs/dbraw/zinc/53/65/15/601536515.db2.gz DYIQISKMQCROLW-YOEHRIQHSA-N 1 0 377.510 1.826 20 0 GDADRO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825901874 607526366 /nfs/dbraw/zinc/52/63/66/607526366.db2.gz LFRPDRQBXFLXSW-WMLDXEAASA-N 1 0 383.456 1.349 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000826183436 607527824 /nfs/dbraw/zinc/52/78/24/607527824.db2.gz PDPMTXCBVKJIDP-SFHVURJKSA-N 1 0 385.516 1.477 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=S)Nc1ccccc1-c1nn[nH]n1 ZINC000825848220 607531099 /nfs/dbraw/zinc/53/10/99/607531099.db2.gz AFENLMXKQIZAKV-KCXAZCMYSA-N 1 0 387.513 1.747 20 0 GDADRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824429038 607538707 /nfs/dbraw/zinc/53/87/07/607538707.db2.gz VKFORMICZRQTIH-LBPRGKRZSA-N 1 0 386.460 1.765 20 0 GDADRO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(-c2nn[nH]n2)c1C ZINC000826349803 607557096 /nfs/dbraw/zinc/55/70/96/607557096.db2.gz VHTFRURIGDZRIK-OLZOCXBDSA-N 1 0 376.486 1.842 20 0 GDADRO O=C(C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826410203 607557141 /nfs/dbraw/zinc/55/71/41/607557141.db2.gz GIIVBRQJNWMOCJ-VXGBXAGGSA-N 1 0 376.848 1.817 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)C[NH+]1CCCC1 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ZINC000822223679 606405264 /nfs/dbraw/zinc/40/52/64/606405264.db2.gz GOKWPAYGMVTJLZ-UHFFFAOYSA-N 1 0 390.513 1.860 20 0 GDADRO COc1cc(C[C@@H](CO)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc(OC)c1 ZINC000821712643 606426557 /nfs/dbraw/zinc/42/65/57/606426557.db2.gz KIJBIRKQIJWOMY-CYBMUJFWSA-N 1 0 389.481 1.886 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000821688289 606453803 /nfs/dbraw/zinc/45/38/03/606453803.db2.gz FIYMFWPLDZOHLT-OCCSQVGLSA-N 1 0 389.504 1.990 20 0 GDADRO Cn1c(Sc2ccc(Cl)c(-c3nn[nH]n3)n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000822604895 606467573 /nfs/dbraw/zinc/46/75/73/606467573.db2.gz OVVZRXXASUVSTF-QMMMGPOBSA-N 1 0 377.865 1.662 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821587236 606474107 /nfs/dbraw/zinc/47/41/07/606474107.db2.gz MUXVGMFUWSNDLI-UHFFFAOYSA-N 1 0 392.510 1.681 20 0 GDADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000822733261 606491391 /nfs/dbraw/zinc/49/13/91/606491391.db2.gz 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ZINC000819857227 606699247 /nfs/dbraw/zinc/69/92/47/606699247.db2.gz POMOEMLEHGGXPN-GFCCVEGCSA-N 1 0 383.460 1.088 20 0 GDADRO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820563709 606699287 /nfs/dbraw/zinc/69/92/87/606699287.db2.gz UCVABQZSFUNGRJ-ZDUSSCGKSA-N 1 0 397.487 1.256 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)c1ccccc1 ZINC000820316458 606699412 /nfs/dbraw/zinc/69/94/12/606699412.db2.gz WAPBGZMDWDTNPF-OLZOCXBDSA-N 1 0 397.487 1.302 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cc(-c2cccs2)on1 ZINC000821601309 606699756 /nfs/dbraw/zinc/69/97/56/606699756.db2.gz AJFRISGYFYVSCZ-UHFFFAOYSA-N 1 0 385.457 1.953 20 0 GDADRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820981037 606700353 /nfs/dbraw/zinc/70/03/53/606700353.db2.gz OGDNHELWJVGKIS-CHWSQXEVSA-N 1 0 389.508 1.216 20 0 GDADRO CC(C)[C@@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820038414 606705594 /nfs/dbraw/zinc/70/55/94/606705594.db2.gz NPQWIDJWIIZDHL-MRXNPFEDSA-N 1 0 383.456 1.566 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000821586196 606706066 /nfs/dbraw/zinc/70/60/66/606706066.db2.gz NKRLWNVAGBKMJY-UHFFFAOYSA-N 1 0 399.459 1.040 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1 ZINC000821581331 606743414 /nfs/dbraw/zinc/74/34/14/606743414.db2.gz IPARBCLEARSASK-NWDGAFQWSA-N 1 0 391.863 1.448 20 0 GDADRO O=C(C[N@@H+]1CCC[C@H]2COCC[C@@H]21)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822997991 606774659 /nfs/dbraw/zinc/77/46/59/606774659.db2.gz YJHRGNYGLOLQRM-NHYWBVRUSA-N 1 0 376.848 1.960 20 0 GDADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000820542162 606775071 /nfs/dbraw/zinc/77/50/71/606775071.db2.gz LPEZKYCWACISGD-UKRRQHHQSA-N 1 0 386.456 1.004 20 0 GDADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000823065897 606776093 /nfs/dbraw/zinc/77/60/93/606776093.db2.gz DOMWRWKEKNMHSE-OAHLLOKOSA-N 1 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O[C@@H](C[NH2+]CC1(N2CCSCC2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682818 606855049 /nfs/dbraw/zinc/85/50/49/606855049.db2.gz VCEPVYQFOFQFSR-KRWDZBQOSA-N 1 0 388.541 1.851 20 0 GDADRO C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000821595298 606859078 /nfs/dbraw/zinc/85/90/78/606859078.db2.gz RVBGTBZNXKYVBK-SJORKVTESA-N 1 0 380.456 1.291 20 0 GDADRO O[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cc2ccccc2s1 ZINC000823681476 606870091 /nfs/dbraw/zinc/87/00/91/606870091.db2.gz DTFJNMWGXJQWTR-FZMZJTMJSA-N 1 0 396.480 1.643 20 0 GDADRO O=S(=O)(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000823594026 606889616 /nfs/dbraw/zinc/88/96/16/606889616.db2.gz ALRPUUHKVYYPFF-GFCCVEGCSA-N 1 0 398.439 1.394 20 0 GDADRO O=C1C[C@@H](c2ccccc2)[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCN1 ZINC000823521156 606892626 /nfs/dbraw/zinc/89/26/26/606892626.db2.gz RCTHLPMTIKALNM-ROUUACIJSA-N 1 0 378.436 1.463 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821159492 606893510 /nfs/dbraw/zinc/89/35/10/606893510.db2.gz CFZLDJBMDNACFE-SNVBAGLBSA-N 1 0 386.428 1.107 20 0 GDADRO O[C@@H](C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683122 606901778 /nfs/dbraw/zinc/90/17/78/606901778.db2.gz YVCJDYZOVRCFNA-SJORKVTESA-N 1 0 390.451 1.822 20 0 GDADRO O[C@H](C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683120 606901895 /nfs/dbraw/zinc/90/18/95/606901895.db2.gz YVCJDYZOVRCFNA-IAGOWNOFSA-N 1 0 390.451 1.822 20 0 GDADRO O[C@H]1CCC[C@H]1[NH+]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000823706365 606931806 /nfs/dbraw/zinc/93/18/06/606931806.db2.gz LYDHHARDRNFIJQ-CABCVRRESA-N 1 0 382.390 1.921 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(CCS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625037 606989560 /nfs/dbraw/zinc/98/95/60/606989560.db2.gz DFMVRPUEPVTRLJ-WBVHZDCISA-N 1 0 390.513 1.057 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)c(Cl)c3)CC[C@H]21 ZINC000821625737 607005788 /nfs/dbraw/zinc/00/57/88/607005788.db2.gz UWNHOUPWUIJLFI-XHDPSFHLSA-N 1 0 396.904 1.625 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000822145802 607005826 /nfs/dbraw/zinc/00/58/26/607005826.db2.gz UXDCXAXYOIZXPZ-GJZGRUSLSA-N 1 0 376.486 1.280 20 0 GDADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CCN(CCn2cccn2)CC1 ZINC000821607239 607063902 /nfs/dbraw/zinc/06/39/02/607063902.db2.gz FQLXHABKPGEXDS-UHFFFAOYSA-N 1 0 384.463 1.799 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000821700708 607072081 /nfs/dbraw/zinc/07/20/81/607072081.db2.gz VLYFFTPGQGYITC-HUUCEWRRSA-N 1 0 386.456 1.197 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000823314621 607180192 /nfs/dbraw/zinc/18/01/92/607180192.db2.gz RXGNAMCWUBFIGQ-ZIAGYGMSSA-N 1 0 389.847 1.202 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821583298 607181866 /nfs/dbraw/zinc/18/18/66/607181866.db2.gz PUIPNUQNZJWGQG-UHFFFAOYSA-N 1 0 379.852 1.163 20 0 GDADRO CC[C@@H](C(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1)[NH+](CC)CC ZINC000820842376 607188162 /nfs/dbraw/zinc/18/81/62/607188162.db2.gz MLXSNTDUXREYEI-INIZCTEOSA-N 1 0 382.472 1.993 20 0 GDADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000823074802 607223727 /nfs/dbraw/zinc/22/37/27/607223727.db2.gz WTKPDRCIIQWXGS-GOSISDBHSA-N 1 0 384.484 1.513 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC000530377179 649971304 /nfs/dbraw/zinc/97/13/04/649971304.db2.gz DQDAJVYQRNMVFT-ZDUSSCGKSA-N 1 0 376.450 1.247 20 0 GDADRO CCC[C@H](C(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1)[NH+](C)C ZINC000825225006 607792416 /nfs/dbraw/zinc/79/24/16/607792416.db2.gz JHUFJCVKBKZAFR-OAHLLOKOSA-N 1 0 375.452 1.385 20 0 GDADRO O=C(CC[NH+]1CCC(Cn2ccnn2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407207 607801502 /nfs/dbraw/zinc/80/15/02/607801502.db2.gz FJLFVMCAUDHMCI-UHFFFAOYSA-N 1 0 381.444 1.199 20 0 GDADRO O=C(CC[NH+]1CCC(Cn2ccnn2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407652 607801624 /nfs/dbraw/zinc/80/16/24/607801624.db2.gz VVNDVNUXTBNWGK-UHFFFAOYSA-N 1 0 381.444 1.199 20 0 GDADRO COc1ccc(C[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826202911 607814957 /nfs/dbraw/zinc/81/49/57/607814957.db2.gz SJDABTDZUZEAFU-UHFFFAOYSA-N 1 0 391.428 1.578 20 0 GDADRO C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)N1CCCCC1 ZINC000824427739 607815021 /nfs/dbraw/zinc/81/50/21/607815021.db2.gz NXXGQCMOVFMSPL-AWEZNQCLSA-N 1 0 378.502 1.104 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825302227 607828947 /nfs/dbraw/zinc/82/89/47/607828947.db2.gz YNTXYVMAVKDUFV-HNNXBMFYSA-N 1 0 392.529 1.304 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000826267935 607848921 /nfs/dbraw/zinc/84/89/21/607848921.db2.gz CLAKGWUXHUCOSL-CQSZACIVSA-N 1 0 383.431 1.773 20 0 GDADRO Clc1ccc2ncc(-c3nn[nH]n3)c(N3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000826352963 607849006 /nfs/dbraw/zinc/84/90/06/607849006.db2.gz VURBKBPHVMWQEC-ZDUSSCGKSA-N 1 0 385.859 1.979 20 0 GDADRO C[N@@H+]1CC[C@H](NC(=O)COc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccccc1 ZINC000826029780 608007665 /nfs/dbraw/zinc/00/76/65/608007665.db2.gz WKESNKQVTSNNJR-PKOBYXMFSA-N 1 0 378.436 1.807 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(c3snc(Cl)c3-c3nn[nH]n3)CC2)CC1 ZINC000824301367 608018314 /nfs/dbraw/zinc/01/83/14/608018314.db2.gz VUTLOKSROCQBLJ-UHFFFAOYSA-N 1 0 396.952 1.971 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c1-c1nn[nH]n1 ZINC000826083072 608020081 /nfs/dbraw/zinc/02/00/81/608020081.db2.gz HYDVNWUKBTZCEM-UHFFFAOYSA-N 1 0 398.427 1.415 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccccc2F)c1-c1nn[nH]n1 ZINC000826073407 608020238 /nfs/dbraw/zinc/02/02/38/608020238.db2.gz QWNLVLVBTRHHLG-LLVKDONJSA-N 1 0 386.435 1.698 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826073091 608020767 /nfs/dbraw/zinc/02/07/67/608020767.db2.gz DKYQPNRPXFOURT-UHFFFAOYSA-N 1 0 380.456 1.703 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2c(F)cccc2Cl)c1-c1nn[nH]n1 ZINC000826077351 608021096 /nfs/dbraw/zinc/02/10/96/608021096.db2.gz FGKMIKJSXWAFBR-UHFFFAOYSA-N 1 0 378.799 1.787 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCSc3ccccc32)c1-c1nn[nH]n1 ZINC000826077385 608021117 /nfs/dbraw/zinc/02/11/17/608021117.db2.gz GOMFNHPTXMPRCT-LBPRGKRZSA-N 1 0 398.496 1.960 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n(C(C)C)c2C)c1-c1nn[nH]n1 ZINC000826077693 608021445 /nfs/dbraw/zinc/02/14/45/608021445.db2.gz QUVGAZZFRWKPBO-UHFFFAOYSA-N 1 0 385.476 1.993 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCc3sccc32)c1-c1nn[nH]n1 ZINC000826077822 608022174 /nfs/dbraw/zinc/02/21/74/608022174.db2.gz XAFXZRDEXARAMO-LLVKDONJSA-N 1 0 386.485 1.862 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccc(C)o3)[nH]n2)c1-c1nn[nH]n1 ZINC000826077503 608022216 /nfs/dbraw/zinc/02/22/16/608022216.db2.gz KKYDQYKYRPGZRT-UHFFFAOYSA-N 1 0 396.415 1.286 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3cccc(F)c3)CC2)c1-c1nn[nH]n1 ZINC000826073626 608022584 /nfs/dbraw/zinc/02/25/84/608022584.db2.gz ZWXVOCMFWLRWSB-UHFFFAOYSA-N 1 0 384.419 1.551 20 0 GDADRO O=S1(=O)CC[C@H](CC[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000826495881 608032126 /nfs/dbraw/zinc/03/21/26/608032126.db2.gz FNYQTQYJVYTCRO-HNNXBMFYSA-N 1 0 390.513 1.204 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000826182857 608032995 /nfs/dbraw/zinc/03/29/95/608032995.db2.gz WKOQAMIUEZYNGW-QGZVFWFLSA-N 1 0 383.456 1.554 20 0 GDADRO COCC[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826157885 608033050 /nfs/dbraw/zinc/03/30/50/608033050.db2.gz PXKXWOPMNMTZDA-HNNXBMFYSA-N 1 0 379.486 1.140 20 0 GDADRO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1C ZINC000826290241 608035380 /nfs/dbraw/zinc/03/53/80/608035380.db2.gz GSYMVMJLQIZORN-CYBMUJFWSA-N 1 0 397.487 1.680 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](O)c1ccc(F)cc1F ZINC000825935154 608036720 /nfs/dbraw/zinc/03/67/20/608036720.db2.gz VVBBKEHUWFLWFU-CYBMUJFWSA-N 1 0 378.387 1.048 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccc(-c4nn[nH]n4)s3)CC2)CC1 ZINC000824300959 608040938 /nfs/dbraw/zinc/04/09/38/608040938.db2.gz OISHBAACSGWRKV-UHFFFAOYSA-N 1 0 389.529 1.559 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825121785 608065651 /nfs/dbraw/zinc/06/56/51/608065651.db2.gz VJZJULJDQBKRSU-MSOLQXFVSA-N 1 0 399.499 1.824 20 0 GDADRO C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@@H+]2CC[C@@H](C3CC3)C2)C1=O ZINC000824843572 608110007 /nfs/dbraw/zinc/11/00/07/608110007.db2.gz GYGNMBUZRKEBLB-AUUYWEPGSA-N 1 0 381.440 1.323 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)cs2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824976731 608121182 /nfs/dbraw/zinc/12/11/82/608121182.db2.gz OVSAZRCSWWJITN-JSGCOSHPSA-N 1 0 375.502 1.026 20 0 GDADRO Cc1cccc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c1-c1nn[nH]n1 ZINC000826303115 608126740 /nfs/dbraw/zinc/12/67/40/608126740.db2.gz APJKCXZOFJGBBN-AWEZNQCLSA-N 1 0 378.502 1.718 20 0 GDADRO CC(=O)NC1CCC([N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823988300 608130680 /nfs/dbraw/zinc/13/06/80/608130680.db2.gz GJMNSBJYYGKZMQ-UHFFFAOYSA-N 1 0 385.472 1.574 20 0 GDADRO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CN1 ZINC000826478973 608171376 /nfs/dbraw/zinc/17/13/76/608171376.db2.gz NLNDCFYFULJJSH-LSDHHAIUSA-N 1 0 394.439 1.407 20 0 GDADRO Cc1ccc([C@H](CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)[NH+]2CCCC2)o1 ZINC000826284177 608221967 /nfs/dbraw/zinc/22/19/67/608221967.db2.gz MHXLBVSICGUEKE-HNNXBMFYSA-N 1 0 396.455 1.528 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000826276405 608282170 /nfs/dbraw/zinc/28/21/70/608282170.db2.gz FDUHGJPTSAYYHG-UHFFFAOYSA-N 1 0 380.456 1.474 20 0 GDADRO C[NH+](C)CCCC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000825860387 608305667 /nfs/dbraw/zinc/30/56/67/608305667.db2.gz QWRSBCPBDFOZKZ-UHFFFAOYSA-N 1 0 393.517 1.072 20 0 GDADRO COCC[N@@H+]1CCN(Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000826159955 608311756 /nfs/dbraw/zinc/31/17/56/608311756.db2.gz YXDXNUDWEIPZJO-HNNXBMFYSA-N 1 0 396.499 1.513 20 0 GDADRO CCC[C@H]1CN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000825254811 608326901 /nfs/dbraw/zinc/32/69/01/608326901.db2.gz VBTNBIAOXDBGSX-KRWDZBQOSA-N 1 0 387.488 1.509 20 0 GDADRO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000825209642 608358837 /nfs/dbraw/zinc/35/88/37/608358837.db2.gz BHOGEOXPKSIACA-GOSISDBHSA-N 1 0 396.499 1.668 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000825219532 608407624 /nfs/dbraw/zinc/40/76/24/608407624.db2.gz KHDLMRMSTNHSMQ-QWHCGFSZSA-N 1 0 375.502 1.815 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826159522 608412125 /nfs/dbraw/zinc/41/21/25/608412125.db2.gz IVQLHHRDSPZRJF-GOSISDBHSA-N 1 0 397.483 1.386 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562601 608460828 /nfs/dbraw/zinc/46/08/28/608460828.db2.gz HODDUYMOFCELKI-CJNGLKHVSA-N 1 0 394.435 1.474 20 0 GDADRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824598041 608489499 /nfs/dbraw/zinc/48/94/99/608489499.db2.gz AMCOZFMPIRKDQW-CYBMUJFWSA-N 1 0 387.465 2.000 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000824572940 608494475 /nfs/dbraw/zinc/49/44/75/608494475.db2.gz YHOHSBGTMJKNCN-KPZWWZAWSA-N 1 0 378.436 1.770 20 0 GDADRO COCCOc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000826162628 608508863 /nfs/dbraw/zinc/50/88/63/608508863.db2.gz KVQATFJLBHPQDV-UHFFFAOYSA-N 1 0 395.467 1.609 20 0 GDADRO CC(C)CNC(=O)C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000824266005 608512099 /nfs/dbraw/zinc/51/20/99/608512099.db2.gz BBLJQQSKHHRRRJ-UHFFFAOYSA-N 1 0 382.472 1.499 20 0 GDADRO NC(=O)COc1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826391525 608515336 /nfs/dbraw/zinc/51/53/36/608515336.db2.gz OUHRRLHJJRIOSK-SFHVURJKSA-N 1 0 378.436 1.898 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NC(=O)NCc1ccccc1 ZINC000826412539 608531743 /nfs/dbraw/zinc/53/17/43/608531743.db2.gz RUZZQNBTQAFSDF-UHFFFAOYSA-N 1 0 391.435 1.471 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C1CCOCC1 ZINC000824562854 608537869 /nfs/dbraw/zinc/53/78/69/608537869.db2.gz KDUIAIKEAUDBBB-ZDUSSCGKSA-N 1 0 396.455 1.396 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)CCC1=O ZINC000824865712 608545789 /nfs/dbraw/zinc/54/57/89/608545789.db2.gz JBDNHEAGTCZXBT-YOEHRIQHSA-N 1 0 384.484 1.762 20 0 GDADRO CS(=O)(=O)C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826222286 608553502 /nfs/dbraw/zinc/55/35/02/608553502.db2.gz QMZOLMNOCVPYHN-KRWDZBQOSA-N 1 0 387.465 1.621 20 0 GDADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc(S(N)(=O)=O)c1 ZINC000824599998 608576134 /nfs/dbraw/zinc/57/61/34/608576134.db2.gz VOXORVLNPWIGMI-LBPRGKRZSA-N 1 0 388.453 1.244 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc([S@@](C)=O)cc1 ZINC000824562036 608579169 /nfs/dbraw/zinc/57/91/69/608579169.db2.gz BWVCEJNVRYRULH-BIXPNRAVSA-N 1 0 384.465 1.893 20 0 GDADRO C[S@](=O)C[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826225027 608580228 /nfs/dbraw/zinc/58/02/28/608580228.db2.gz RIWBCHLCTVGVDG-HPGBDJQBSA-N 1 0 398.492 1.905 20 0 GDADRO C[C@@H]1CN(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)[C@@H](C)C[N@@H+]1C ZINC000824984805 608588023 /nfs/dbraw/zinc/58/80/23/608588023.db2.gz NVGDRZFDYDJGJQ-NEPJUHHUSA-N 1 0 389.529 1.770 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000825460032 608605672 /nfs/dbraw/zinc/60/56/72/608605672.db2.gz QOTYXIHSQHEJRJ-JCYILVPMSA-N 1 0 399.499 1.942 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824908936 608641841 /nfs/dbraw/zinc/64/18/41/608641841.db2.gz RSNSFWCHQWMUAI-QBBMROGASA-N 1 0 399.499 1.941 20 0 GDADRO COc1c(C)cc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1C ZINC000826166790 608836748 /nfs/dbraw/zinc/83/67/48/608836748.db2.gz AWUPMJNHDSUETO-HNNXBMFYSA-N 1 0 394.483 1.993 20 0 GDADRO NC(=O)N[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000826392439 608850771 /nfs/dbraw/zinc/85/07/71/608850771.db2.gz YHUPUSXIMRLZGB-KRWDZBQOSA-N 1 0 393.451 1.688 20 0 GDADRO C[C@@H](O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000824689712 609145909 /nfs/dbraw/zinc/14/59/09/609145909.db2.gz NEROIZJBKJPAIR-MNOVXSKESA-N 1 0 376.486 1.448 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000826157963 609148116 /nfs/dbraw/zinc/14/81/16/609148116.db2.gz UAFTWEUULYBHNR-UHFFFAOYSA-N 1 0 398.471 1.059 20 0 GDADRO Cc1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257953 609160559 /nfs/dbraw/zinc/16/05/59/609160559.db2.gz USWLAWFXXYQUDI-KRWDZBQOSA-N 1 0 394.483 1.917 20 0 GDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826192336 609196646 /nfs/dbraw/zinc/19/66/46/609196646.db2.gz JQWDZGQJZAEJOM-KRWDZBQOSA-N 1 0 382.424 1.609 20 0 GDADRO C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000824505283 609206010 /nfs/dbraw/zinc/20/60/10/609206010.db2.gz AZHNKOSXVLMJFR-GFCCVEGCSA-N 1 0 398.446 1.577 20 0 GDADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825865992 609210746 /nfs/dbraw/zinc/21/07/46/609210746.db2.gz OTJRAYGZAKPGIP-GOSISDBHSA-N 1 0 398.442 1.630 20 0 GDADRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825391061 609210837 /nfs/dbraw/zinc/21/08/37/609210837.db2.gz UDNAQVUGEDEDLG-GOSISDBHSA-N 1 0 380.452 1.668 20 0 GDADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826443421 609219274 /nfs/dbraw/zinc/21/92/74/609219274.db2.gz OIUNYUBIDVHFOQ-UHFFFAOYSA-N 1 0 381.440 1.082 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000826504360 609282387 /nfs/dbraw/zinc/28/23/87/609282387.db2.gz UPBDTSHVHZYOMM-FXAWDEMLSA-N 1 0 399.426 1.339 20 0 GDADRO Cc1noc(C2(C)CC[NH+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826339856 609297579 /nfs/dbraw/zinc/29/75/79/609297579.db2.gz XFSOFTAXJQAHLE-HNNXBMFYSA-N 1 0 399.455 1.352 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824640798 609318377 /nfs/dbraw/zinc/31/83/77/609318377.db2.gz PBYYRUVKNISHPS-QWHCGFSZSA-N 1 0 391.501 1.193 20 0 GDADRO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545664 609333862 /nfs/dbraw/zinc/33/38/62/609333862.db2.gz DNWGCAOSPNFRON-CYBMUJFWSA-N 1 0 389.479 1.599 20 0 GDADRO COc1cccc([C@H]2[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[N@@H+]2C2CC2)c1 ZINC000826215692 609337174 /nfs/dbraw/zinc/33/71/74/609337174.db2.gz WJWYLEKJUIHETR-AEFFLSMTSA-N 1 0 393.451 1.911 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578069 609347618 /nfs/dbraw/zinc/34/76/18/609347618.db2.gz QBJRHXYSCJFSDD-KWFDTGPKSA-N 1 0 387.419 1.377 20 0 GDADRO CC[NH+](CC)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000825411863 609362957 /nfs/dbraw/zinc/36/29/57/609362957.db2.gz FOHQJIQROFTLQJ-UHFFFAOYSA-N 1 0 387.423 1.655 20 0 GDADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000823975496 609366398 /nfs/dbraw/zinc/36/63/98/609366398.db2.gz YHHBBGDKAKXBEP-LBPRGKRZSA-N 1 0 393.289 1.929 20 0 GDADRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000826215438 609403489 /nfs/dbraw/zinc/40/34/89/609403489.db2.gz OSLBWBYFVJHSIC-MAUKXSAKSA-N 1 0 393.451 1.911 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H]2CCCn3ccnc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476597 609417385 /nfs/dbraw/zinc/41/73/85/609417385.db2.gz KYFKYJGFLLMVEP-DOTOQJQBSA-N 1 0 392.467 1.726 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476276 609417499 /nfs/dbraw/zinc/41/74/99/609417499.db2.gz DVWZRPZKVLMIFT-MLHJIOFPSA-N 1 0 382.468 1.909 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@H]2CCCn3ccnc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476600 609417758 /nfs/dbraw/zinc/41/77/58/609417758.db2.gz KYFKYJGFLLMVEP-WBVHZDCISA-N 1 0 392.467 1.726 20 0 GDADRO O=C(CC[NH2+][C@H](CO)c1cccc(F)c1)Nc1sccc1-c1nn[nH]n1 ZINC000826407640 609425381 /nfs/dbraw/zinc/42/53/81/609425381.db2.gz VMORWRBXTOAOLV-CYBMUJFWSA-N 1 0 376.417 1.719 20 0 GDADRO CC(C)(C)[C@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000824844189 609501467 /nfs/dbraw/zinc/50/14/67/609501467.db2.gz RUWNHQPOBRKQAE-MGPUTAFESA-N 1 0 397.483 1.959 20 0 GDADRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826212740 609507758 /nfs/dbraw/zinc/50/77/58/609507758.db2.gz ZVCCIGQJJUKVHW-SJLPKXTDSA-N 1 0 378.436 1.549 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000824950065 609538629 /nfs/dbraw/zinc/53/86/29/609538629.db2.gz ZRHZZGVAYJUKQK-NWDGAFQWSA-N 1 0 398.920 1.919 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000825219098 609552378 /nfs/dbraw/zinc/55/23/78/609552378.db2.gz HLTIGSWEVSGRGJ-STQMWFEESA-N 1 0 396.904 1.767 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824975671 609555956 /nfs/dbraw/zinc/55/59/56/609555956.db2.gz KZGIRXAWSMJAMO-RNCFNFMXSA-N 1 0 382.877 1.281 20 0 GDADRO O=C1[C@H]([NH2+]Cc2cccc3nccn32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477172 609602073 /nfs/dbraw/zinc/60/20/73/609602073.db2.gz WXJWKOVJRRDOGN-QGZVFWFLSA-N 1 0 388.435 1.800 20 0 GDADRO COCC[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000530878188 649983060 /nfs/dbraw/zinc/98/30/60/649983060.db2.gz QXFDXCSSYGMRTM-UHFFFAOYSA-N 1 0 388.295 1.904 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC000531494093 649993018 /nfs/dbraw/zinc/99/30/18/649993018.db2.gz NKRMSFWVSGKBPG-LBPRGKRZSA-N 1 0 385.452 1.049 20 0 GDADRO O=C(NCc1n[nH]cc1Br)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000532652984 650029909 /nfs/dbraw/zinc/02/99/09/650029909.db2.gz YNHBMLIESNWPQN-UONOGXRCSA-N 1 0 386.294 1.349 20 0 GDADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000533086879 650040999 /nfs/dbraw/zinc/04/09/99/650040999.db2.gz RIPFMQLNMDUDFB-GFCCVEGCSA-N 1 0 375.878 1.301 20 0 GDADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000533098631 650042176 /nfs/dbraw/zinc/04/21/76/650042176.db2.gz FOOVVUJQGJKHOX-LLVKDONJSA-N 1 0 382.262 1.754 20 0 GDADRO NS(=O)(=O)CC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000534876269 650233264 /nfs/dbraw/zinc/23/32/64/650233264.db2.gz SJRNPJKNUXOJIE-UHFFFAOYSA-N 1 0 377.304 1.828 20 0 GDADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000535786873 650256288 /nfs/dbraw/zinc/25/62/88/650256288.db2.gz YSVXNNLIPPKVNO-QWRGUYRKSA-N 1 0 379.935 1.573 20 0 GDADRO CCCC[NH+]1CCC(NC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000536970451 650284933 /nfs/dbraw/zinc/28/49/33/650284933.db2.gz KKVQBWOAKABBPL-INIZCTEOSA-N 1 0 375.535 1.096 20 0 GDADRO CC[NH+](CC)CCSCC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000539697346 650338712 /nfs/dbraw/zinc/33/87/12/650338712.db2.gz SCASWYWITRMGIP-UHFFFAOYSA-N 1 0 393.619 1.628 20 0 GDADRO CS[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(C)cc2)C[C@H]1[NH+](C)C ZINC000540124227 650350001 /nfs/dbraw/zinc/35/00/01/650350001.db2.gz GIHIAGNNXGUEQX-CVEARBPZSA-N 1 0 385.555 1.167 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc(I)cc1 ZINC000540149691 650350276 /nfs/dbraw/zinc/35/02/76/650350276.db2.gz WRHLQBJUUTWUPQ-ZWNOBZJWSA-N 1 0 395.262 1.755 20 0 GDADRO COCCCN(C(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000540269832 650354187 /nfs/dbraw/zinc/35/41/87/650354187.db2.gz SCQBPUIPJAPJQU-MRXNPFEDSA-N 1 0 375.535 1.096 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C[C@H]1[NH+]1CCCC1 ZINC000541842470 650393776 /nfs/dbraw/zinc/39/37/76/650393776.db2.gz FVPOKFJAKVSHAV-JHJVBQTASA-N 1 0 379.448 1.435 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C[C@@H]1[NH+]1CCCC1 ZINC000541842471 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CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000546842323 650488047 /nfs/dbraw/zinc/48/80/47/650488047.db2.gz CSSHOGQLCIFFFD-CQSZACIVSA-N 1 0 379.592 1.286 20 0 GDADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000547275454 650493555 /nfs/dbraw/zinc/49/35/55/650493555.db2.gz DFSDRFRSSURHDK-PXAZEXFGSA-N 1 0 383.286 1.841 20 0 GDADRO C[C@H]1CN(c2ncc(I)cn2)CC[N@@H+]1CC(C)(C)O ZINC000548693123 650560820 /nfs/dbraw/zinc/56/08/20/650560820.db2.gz RIPRLGPVJDLWGL-JTQLQIEISA-N 1 0 376.242 1.363 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550455669 650593181 /nfs/dbraw/zinc/59/31/81/650593181.db2.gz SWZQAJHZGMCXFL-CQSZACIVSA-N 1 0 380.286 1.461 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000552944650 650635263 /nfs/dbraw/zinc/63/52/63/650635263.db2.gz LEEULZKIFBASHM-ABAIWWIYSA-N 1 0 396.285 1.712 20 0 GDADRO C[NH+](C)CC(C)(C)NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000916203441 660188849 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C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000555962508 650697751 /nfs/dbraw/zinc/69/77/51/650697751.db2.gz OWSSCHKKDIBFKI-DOMZBBRYSA-N 1 0 394.313 1.849 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(I)cnn2C)C[C@H]1C ZINC000556305799 650701989 /nfs/dbraw/zinc/70/19/89/650701989.db2.gz AZOFZFBEKWITMF-MNOVXSKESA-N 1 0 390.269 1.970 20 0 GDADRO Cn1cc(Br)c(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000556422975 650705727 /nfs/dbraw/zinc/70/57/27/650705727.db2.gz SAJPOWRXRBQJEQ-KRWDZBQOSA-N 1 0 393.285 1.549 20 0 GDADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ncc(Br)cc1F ZINC000556606070 650707760 /nfs/dbraw/zinc/70/77/60/650707760.db2.gz RHCYWFNNDSPONC-SECBINFHSA-N 1 0 381.267 1.574 20 0 GDADRO CCSc1nnc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)s1 ZINC000556668377 650708224 /nfs/dbraw/zinc/70/82/24/650708224.db2.gz VFEGYUFJPAEJRW-OLZOCXBDSA-N 1 0 384.575 2.140 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cccc(F)c1I ZINC000556984405 650715827 /nfs/dbraw/zinc/71/58/27/650715827.db2.gz JQZZMNCEECDVDF-UHFFFAOYSA-N 1 0 393.200 1.485 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556996172 650716201 /nfs/dbraw/zinc/71/62/01/650716201.db2.gz DNRKAJASYVRHKT-LLVKDONJSA-N 1 0 386.315 1.822 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000557248467 650721991 /nfs/dbraw/zinc/72/19/91/650721991.db2.gz WMQPSDUVXPMYKZ-LSDHHAIUSA-N 1 0 380.286 1.632 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000557196799 650720984 /nfs/dbraw/zinc/72/09/84/650720984.db2.gz DYIBXZDAZMXSTK-BXUZGUMPSA-N 1 0 384.274 1.950 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000557288572 650722634 /nfs/dbraw/zinc/72/26/34/650722634.db2.gz DYRJLXOGTYRVJX-NWDGAFQWSA-N 1 0 387.311 1.314 20 0 GDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000559651121 650734994 /nfs/dbraw/zinc/73/49/94/650734994.db2.gz NXOXEOHJEVLLTP-ZDUSSCGKSA-N 1 0 382.302 1.660 20 0 GDADRO 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C[C@H](NC(=O)C(=O)NCc1ccc(O)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000419418831 645916636 /nfs/dbraw/zinc/91/66/36/645916636.db2.gz YQGWKGBISOPAJL-CMPLNLGQSA-N 1 0 384.274 1.275 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000419434839 645917250 /nfs/dbraw/zinc/91/72/50/645917250.db2.gz BVIBCPXJOUSJIJ-MRVPVSSYSA-N 1 0 394.216 1.378 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC[NH2+]1 ZINC000570815196 651056849 /nfs/dbraw/zinc/05/68/49/651056849.db2.gz FTBSQCIUXIKFCJ-HZSPNIEDSA-N 1 0 386.543 1.198 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419459070 645918180 /nfs/dbraw/zinc/91/81/80/645918180.db2.gz FFKIAEDFRSCSPU-DOMZBBRYSA-N 1 0 394.313 1.711 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCc1cc(Cl)ccc1Br ZINC000419505852 645921477 /nfs/dbraw/zinc/92/14/77/645921477.db2.gz WBDUVZYPGLZVNP-GFCCVEGCSA-N 1 0 388.693 1.711 20 0 GDADRO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1c(Cl)cccc1Cl ZINC000419513142 645921997 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1.708 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1cc(F)cc(Br)c1 ZINC000419771112 645931372 /nfs/dbraw/zinc/93/13/72/645931372.db2.gz FCWQAWJQYBXHBN-HZMBPMFUSA-N 1 0 386.265 1.976 20 0 GDADRO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N1CC[NH2+]CC1 ZINC000419771809 645931548 /nfs/dbraw/zinc/93/15/48/645931548.db2.gz FVFACPXZBJBQIF-AWEZNQCLSA-N 1 0 384.249 1.587 20 0 GDADRO O=S1(=O)CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000570836661 651058137 /nfs/dbraw/zinc/05/81/37/651058137.db2.gz KCXBUVDBEJBCPE-UKRRQHHQSA-N 1 0 392.315 1.746 20 0 GDADRO CCOc1ccc(Br)cc1CN(C(=O)C(=O)NCC[NH2+]C)C1CC1 ZINC000419870364 645932609 /nfs/dbraw/zinc/93/26/09/645932609.db2.gz JOVAJTXRDAKPMW-UHFFFAOYSA-N 1 0 398.301 1.674 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000420069903 645935271 /nfs/dbraw/zinc/93/52/71/645935271.db2.gz WDLRFVFNILNHMH-WFASDCNBSA-N 1 0 386.279 1.827 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1Cc2cc(Br)ccc2C[C@H]1C ZINC000420154985 645936406 /nfs/dbraw/zinc/93/64/06/645936406.db2.gz JVOZXNCUKPPNBV-VXGBXAGGSA-N 1 0 382.302 1.837 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420156269 645937043 /nfs/dbraw/zinc/93/70/43/645937043.db2.gz FJQAYOSOIIHGBZ-GFCCVEGCSA-N 1 0 386.290 1.895 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420160037 645937630 /nfs/dbraw/zinc/93/76/30/645937630.db2.gz DGPWZLKKUPGOPJ-UHFFFAOYSA-N 1 0 386.315 1.895 20 0 GDADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CC[NH2+][C@H](C)C1 ZINC000420332205 645940353 /nfs/dbraw/zinc/94/03/53/645940353.db2.gz GGYQPNBEVUSMKN-VXGBXAGGSA-N 1 0 388.921 1.211 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C[C@H](O)C[NH3+] ZINC000420349641 645940867 /nfs/dbraw/zinc/94/08/67/645940867.db2.gz DMVKMQNMROMEIX-SECBINFHSA-N 1 0 384.196 1.658 20 0 GDADRO [NH3+]CC1(O)CCN(CC(=O)Nc2ccc(I)cc2)CC1 ZINC000420404802 645942685 /nfs/dbraw/zinc/94/26/85/645942685.db2.gz NVTCCYLZUYVDHZ-UHFFFAOYSA-N 1 0 389.237 1.015 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1F ZINC000420417067 645943160 /nfs/dbraw/zinc/94/31/60/645943160.db2.gz BOXGDILKTSODBT-GWCFXTLKSA-N 1 0 379.479 1.088 20 0 GDADRO C[NH2+]CCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000420472939 645943256 /nfs/dbraw/zinc/94/32/56/645943256.db2.gz TTYJECORTKTGSE-UHFFFAOYSA-N 1 0 389.543 1.091 20 0 GDADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NC[C@H]1C[NH2+]CCO1 ZINC000420475763 645944160 /nfs/dbraw/zinc/94/41/60/645944160.db2.gz HLPYQTLDWZOFFT-LLVKDONJSA-N 1 0 383.695 1.510 20 0 GDADRO CC[NH+]1CCC(N2CCCN(C(=O)c3c(Br)cnn3C)CC2)CC1 ZINC000422012757 646032285 /nfs/dbraw/zinc/03/22/85/646032285.db2.gz DTFBGKAUYYLSBC-UHFFFAOYSA-N 1 0 398.349 1.815 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422476669 646068790 /nfs/dbraw/zinc/06/87/90/646068790.db2.gz LOLLLHRPVNQVJC-HNNXBMFYSA-N 1 0 396.329 1.908 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422551018 646077425 /nfs/dbraw/zinc/07/74/25/646077425.db2.gz CRZBMCVGAFMYSZ-ILXRZTDVSA-N 1 0 388.555 1.864 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000916807743 660201769 /nfs/dbraw/zinc/20/17/69/660201769.db2.gz JYJKQSOBGBVBMR-OTVXOJSOSA-N 1 0 375.535 1.215 20 0 GDADRO CC(C)[C@H](C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H](C)[NH3+] ZINC000422953148 646102736 /nfs/dbraw/zinc/10/27/36/646102736.db2.gz DUSZJNGXZKEUJT-WFASDCNBSA-N 1 0 389.543 1.005 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422955163 646103160 /nfs/dbraw/zinc/10/31/60/646103160.db2.gz LBVZZRRUQCNLFH-DZGCQCFKSA-N 1 0 392.297 1.776 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000422991485 646106326 /nfs/dbraw/zinc/10/63/26/646106326.db2.gz BFPCZUAIEGWBQZ-ZIAGYGMSSA-N 1 0 380.286 1.475 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000423043893 646110405 /nfs/dbraw/zinc/11/04/05/646110405.db2.gz AIYZMYCDVOPUPB-AWEZNQCLSA-N 1 0 399.285 1.504 20 0 GDADRO [NH3+]CCCCn1cc(C(=O)NCCc2cc(Br)ccc2F)nn1 ZINC000423059082 646110425 /nfs/dbraw/zinc/11/04/25/646110425.db2.gz KZSKRMPYPQVSPB-UHFFFAOYSA-N 1 0 384.253 1.891 20 0 GDADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(I)c(C)c1 ZINC000423094900 646112328 /nfs/dbraw/zinc/11/23/28/646112328.db2.gz KXTDMPNKIATFGH-KBPBESRZSA-N 1 0 388.249 1.983 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000423177837 646117971 /nfs/dbraw/zinc/11/79/71/646117971.db2.gz JSBPEXBAIQNQJQ-HUUCEWRRSA-N 1 0 396.285 1.299 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423231944 646119281 /nfs/dbraw/zinc/11/92/81/646119281.db2.gz BJOJYLVZZVBTAL-WFASDCNBSA-N 1 0 386.279 1.714 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423235608 646120015 /nfs/dbraw/zinc/12/00/15/646120015.db2.gz GSBMPXQOHHWSES-CABCVRRESA-N 1 0 394.313 1.518 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000423516101 646125947 /nfs/dbraw/zinc/12/59/47/646125947.db2.gz ASEPUXZLRXDWFY-LLVKDONJSA-N 1 0 398.276 1.541 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000423517982 646126605 /nfs/dbraw/zinc/12/66/05/646126605.db2.gz UVKNFMQBGGTKBZ-CYBMUJFWSA-N 1 0 394.313 1.962 20 0 GDADRO C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423530402 646128124 /nfs/dbraw/zinc/12/81/24/646128124.db2.gz WQIIDFJIKCZRLH-FZMZJTMJSA-N 1 0 384.274 1.155 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423529012 646128129 /nfs/dbraw/zinc/12/81/29/646128129.db2.gz PMLQWSKXJCINAI-CYBMUJFWSA-N 1 0 375.416 1.739 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Br)C1 ZINC000423579510 646132586 /nfs/dbraw/zinc/13/25/86/646132586.db2.gz OLMXDNRPCFMAOG-LLVKDONJSA-N 1 0 386.265 1.615 20 0 GDADRO CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000423580986 646133275 /nfs/dbraw/zinc/13/32/75/646133275.db2.gz UNJKDTULEZSCPE-TZMCWYRMSA-N 1 0 396.285 1.681 20 0 GDADRO CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000423580981 646133284 /nfs/dbraw/zinc/13/32/84/646133284.db2.gz UNJKDTULEZSCPE-JSGCOSHPSA-N 1 0 396.285 1.681 20 0 GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423580643 646133314 /nfs/dbraw/zinc/13/33/14/646133314.db2.gz STXPEFRKDMCFTQ-STQMWFEESA-N 1 0 380.286 1.672 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423580640 646133350 /nfs/dbraw/zinc/13/33/50/646133350.db2.gz STXPEFRKDMCFTQ-CHWSQXEVSA-N 1 0 380.286 1.672 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423597787 646135800 /nfs/dbraw/zinc/13/58/00/646135800.db2.gz OQFOBGGDBIWVJJ-ZFWWWQNUSA-N 1 0 394.313 1.866 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000423602719 646136442 /nfs/dbraw/zinc/13/64/42/646136442.db2.gz ABZBEBOBEQENIU-NEPJUHHUSA-N 1 0 398.301 1.625 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000423607949 646136471 /nfs/dbraw/zinc/13/64/71/646136471.db2.gz NATFGJHEVNSFFD-CYBMUJFWSA-N 1 0 384.933 1.386 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423613224 646137154 /nfs/dbraw/zinc/13/71/54/646137154.db2.gz VEAWQAFKEYICOJ-DGCLKSJQSA-N 1 0 386.279 1.793 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000423627277 646138546 /nfs/dbraw/zinc/13/85/46/646138546.db2.gz HEDJWGNUBGERIQ-NEPJUHHUSA-N 1 0 398.301 1.612 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000423623570 646138636 /nfs/dbraw/zinc/13/86/36/646138636.db2.gz OKVRXDCEZHPTCT-ZDUSSCGKSA-N 1 0 398.301 1.756 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000423682403 646142546 /nfs/dbraw/zinc/14/25/46/646142546.db2.gz VWIYNTBPIXAXIF-STQMWFEESA-N 1 0 388.295 1.917 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000423691285 646143328 /nfs/dbraw/zinc/14/33/28/646143328.db2.gz ISIYIZPUPONDJZ-NXEZZACHSA-N 1 0 378.420 1.849 20 0 GDADRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000423689725 646143378 /nfs/dbraw/zinc/14/33/78/646143378.db2.gz YCPWQXYMHYDDFD-OIBJUYFYSA-N 1 0 379.251 1.553 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423969421 646148399 /nfs/dbraw/zinc/14/83/99/646148399.db2.gz ZVVKJUOYJQYTKD-SCVCMEIPSA-N 1 0 379.404 1.178 20 0 GDADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000423988219 646149744 /nfs/dbraw/zinc/14/97/44/646149744.db2.gz XAPLTWDGECZDDH-WFASDCNBSA-N 1 0 381.523 1.794 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@H]1C[NH3+] ZINC000423999533 646151346 /nfs/dbraw/zinc/15/13/46/646151346.db2.gz NKHVCCYOKPNEKM-NXEZZACHSA-N 1 0 382.258 1.837 20 0 GDADRO C[C@H]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C[C@@H]1C[NH3+] ZINC000424006177 646151792 /nfs/dbraw/zinc/15/17/92/646151792.db2.gz GATLJGUHKVSWGD-RYUDHWBXSA-N 1 0 393.285 1.602 20 0 GDADRO CC(C)[C@@H](C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H](C)[NH3+] ZINC000424008511 646152445 /nfs/dbraw/zinc/15/24/45/646152445.db2.gz YIUUCKRNDIJYSF-QMTHXVAHSA-N 1 0 379.885 1.493 20 0 GDADRO C[C@@H]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[C@@H]1C[NH3+] ZINC000424012961 646152527 /nfs/dbraw/zinc/15/25/27/646152527.db2.gz KEFDIGVMUVJPBT-MNOVXSKESA-N 1 0 394.269 1.488 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CCCO1 ZINC000424016453 646153262 /nfs/dbraw/zinc/15/32/62/646153262.db2.gz DWGUDJUZLPSDBD-CHWSQXEVSA-N 1 0 396.285 1.378 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCCO1 ZINC000424020711 646153965 /nfs/dbraw/zinc/15/39/65/646153965.db2.gz MKZSDLBDFMNTBF-GJZGRUSLSA-N 1 0 396.285 1.378 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000424045152 646156072 /nfs/dbraw/zinc/15/60/72/646156072.db2.gz GZKKKSUBTNBWQH-UHFFFAOYSA-N 1 0 384.321 1.033 20 0 GDADRO Cn1cc([C@@H]2CN([C@H](C(N)=O)c3ccc(Br)cc3F)C[C@H]2[NH3+])cn1 ZINC000424302145 646173778 /nfs/dbraw/zinc/17/37/78/646173778.db2.gz WXMDJRFSIJYRDD-CFVMTHIKSA-N 1 0 396.264 1.275 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)NCC[NH+]1CCC(O)CC1 ZINC000892433022 658327221 /nfs/dbraw/zinc/32/72/21/658327221.db2.gz QBMRZPWCEMRVBT-UHFFFAOYSA-N 1 0 386.290 1.584 20 0 GDADRO CCN(CC)C(=O)c1ccc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc1Cl ZINC000438880732 646225302 /nfs/dbraw/zinc/22/53/02/646225302.db2.gz BVRDXEDPXDZUSR-CQSZACIVSA-N 1 0 389.905 1.523 20 0 GDADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000439118168 646227400 /nfs/dbraw/zinc/22/74/00/646227400.db2.gz VWOSHOJCFFLTDG-UHFFFAOYSA-N 1 0 376.825 2.577 20 0 GDADRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(N)=O ZINC000439439999 646232449 /nfs/dbraw/zinc/23/24/49/646232449.db2.gz PBOKOXWORBDJCV-DGCLKSJQSA-N 1 0 377.254 1.818 20 0 GDADRO OCCO[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439442545 646233051 /nfs/dbraw/zinc/23/30/51/646233051.db2.gz VGHGYFNKQLZZEQ-LSDHHAIUSA-N 1 0 392.265 1.801 20 0 GDADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)C1 ZINC000440727053 646252811 /nfs/dbraw/zinc/25/28/11/646252811.db2.gz AQWZLOASTSABKB-SNVBAGLBSA-N 1 0 376.276 1.390 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000442063206 646260013 /nfs/dbraw/zinc/26/00/13/646260013.db2.gz OQKJMHDQDAJVEH-UHFFFAOYSA-N 1 0 388.237 1.100 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000442531757 646269095 /nfs/dbraw/zinc/26/90/95/646269095.db2.gz UQAKMWXCUYXTNP-CABCVRRESA-N 1 0 377.576 1.038 20 0 GDADRO C[C@H](CN(C)C(=O)OC(C)(C)C)NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000917746316 660221243 /nfs/dbraw/zinc/22/12/43/660221243.db2.gz MVECEHPFXIYCHH-PBHICJAKSA-N 1 0 375.535 1.647 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000917889921 660223815 /nfs/dbraw/zinc/22/38/15/660223815.db2.gz IOIOCOYOLWAWKT-AWEZNQCLSA-N 1 0 397.317 1.801 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCO[C@@]23CCOC3)s1 ZINC000903088879 659294312 /nfs/dbraw/zinc/29/43/12/659294312.db2.gz MNWGNMHKJJXOMA-DOTOQJQBSA-N 1 0 388.555 1.859 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCO[C@]23CCOC3)s1 ZINC000903088885 659294443 /nfs/dbraw/zinc/29/44/43/659294443.db2.gz MNWGNMHKJJXOMA-RDJZCZTQSA-N 1 0 388.555 1.859 20 0 GDADRO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)C1 ZINC000903483314 659316743 /nfs/dbraw/zinc/31/67/43/659316743.db2.gz CEQIJRULJCPDGQ-LBPRGKRZSA-N 1 0 379.404 1.019 20 0 GDADRO O=S(=O)(NCCN1CC[NH2+]CC1)c1c[nH]c2cc(Br)ccc21 ZINC000903483598 659316772 /nfs/dbraw/zinc/31/67/72/659316772.db2.gz JXPOVHNEWDLUDG-UHFFFAOYSA-N 1 0 387.303 1.114 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CCO1 ZINC000903487647 659317115 /nfs/dbraw/zinc/31/71/15/659317115.db2.gz FCMJVTQCQJBGJS-ZANVPECISA-N 1 0 388.287 1.667 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903496011 659318349 /nfs/dbraw/zinc/31/83/49/659318349.db2.gz RQHPUHMHRNZHOD-OCAPTIKFSA-N 1 0 384.264 1.193 20 0 GDADRO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000918359717 660234421 /nfs/dbraw/zinc/23/44/21/660234421.db2.gz HSSFRWIMJHPZTL-FPMFFAJLSA-N 1 0 386.436 1.474 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000918957470 660243862 /nfs/dbraw/zinc/24/38/62/660243862.db2.gz VJZDHPABPKDXDS-INIZCTEOSA-N 1 0 378.441 1.408 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)C1 ZINC000918963310 660244034 /nfs/dbraw/zinc/24/40/34/660244034.db2.gz SNXVYMZOAFFDBR-KRWDZBQOSA-N 1 0 383.901 1.965 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000919636500 660255552 /nfs/dbraw/zinc/25/55/52/660255552.db2.gz WVYNQDZAJYMCKL-CYBMUJFWSA-N 1 0 386.294 1.155 20 0 GDADRO CN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442782402 647163664 /nfs/dbraw/zinc/16/36/64/647163664.db2.gz RDAKRJKSDQHWBZ-FOSCPWQOSA-N 1 0 386.905 1.141 20 0 GDADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC[N@@H+]1C ZINC000442959148 647165841 /nfs/dbraw/zinc/16/58/41/647165841.db2.gz YLVQDUNXKVWXGL-CABZTGNLSA-N 1 0 390.303 1.309 20 0 GDADRO CC(C)[C@H](C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[NH+](C)C ZINC000442972027 647166949 /nfs/dbraw/zinc/16/69/49/647166949.db2.gz CVAIMORLJMEBPD-CQSZACIVSA-N 1 0 379.885 1.460 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443577876 647216936 /nfs/dbraw/zinc/21/69/36/647216936.db2.gz FXODBYYUFJOWMJ-KGLIPLIRSA-N 1 0 380.432 1.622 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCC(=O)NC1CC1 ZINC000920179414 660266647 /nfs/dbraw/zinc/26/66/47/660266647.db2.gz GCZZLPPXHAHITK-ZDUSSCGKSA-N 1 0 388.921 1.353 20 0 GDADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000920258100 660267604 /nfs/dbraw/zinc/26/76/04/660267604.db2.gz WKYJOVCYMDZEEF-UHFFFAOYSA-N 1 0 394.946 1.754 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)C[C@]1(C)CC1(Cl)Cl)C2 ZINC000920273189 660268258 /nfs/dbraw/zinc/26/82/58/660268258.db2.gz DHPRONKAPOVVFD-NIFZNCRKSA-N 1 0 399.384 1.969 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)C[C@@H]1CCCC1(F)F)C2 ZINC000920273113 660268308 /nfs/dbraw/zinc/26/83/08/660268308.db2.gz CIBMGKRGQDYHPR-OTJKEOIZSA-N 1 0 380.501 1.821 20 0 GDADRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000444145791 647243549 /nfs/dbraw/zinc/24/35/49/647243549.db2.gz XZQYNVWSOAWNBZ-RDJZCZTQSA-N 1 0 383.901 1.173 20 0 GDADRO O=C([C@H]1CC[NH2+]1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000444137415 647243564 /nfs/dbraw/zinc/24/35/64/647243564.db2.gz GXEPBHJOEUGSRF-CYBMUJFWSA-N 1 0 378.281 1.188 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NCC[C@H]1CCC[NH2+]1 ZINC000444270760 647247735 /nfs/dbraw/zinc/24/77/35/647247735.db2.gz WJTXESRIWPLTGH-CQSZACIVSA-N 1 0 385.555 1.724 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)CC[C@H]1CC1(Cl)Cl)C2 ZINC000920276605 660268829 /nfs/dbraw/zinc/26/88/29/660268829.db2.gz XSQPFBLWCRODLV-VYDRJRHOSA-N 1 0 399.384 1.969 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000920282627 660269133 /nfs/dbraw/zinc/26/91/33/660269133.db2.gz SIQIWDPQHNULPG-NCZKRNLISA-N 1 0 390.937 1.140 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)Cc3csc(C)n3)C2)[C@H]1C(C)C ZINC000920301740 660269383 /nfs/dbraw/zinc/26/93/83/660269383.db2.gz FVPPNFNBVBCDLT-VQHPVUNQSA-N 1 0 387.571 1.741 20 0 GDADRO C[C@H]1CN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC[N@@H+]1CC(C)(C)O ZINC000444884645 647258867 /nfs/dbraw/zinc/25/88/67/647258867.db2.gz YGIVWOCTJAIRPL-VIFPVBQESA-N 1 0 381.424 1.952 20 0 GDADRO CC[NH+](CC)CCOC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000920089825 660265776 /nfs/dbraw/zinc/26/57/76/660265776.db2.gz URYDZTFKJIXUSE-UHFFFAOYSA-N 1 0 383.242 1.930 20 0 GDADRO CC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Cl)s1 ZINC000446787289 647294823 /nfs/dbraw/zinc/29/48/23/647294823.db2.gz XITNZGFEJYCBPK-LLVKDONJSA-N 1 0 383.905 2.366 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000452079918 647311448 /nfs/dbraw/zinc/31/14/48/647311448.db2.gz GKWVGRAFNIMDFJ-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO Cc1c(Br)cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(=O)n1C ZINC000452386563 647322492 /nfs/dbraw/zinc/32/24/92/647322492.db2.gz XQKPYHZXXIINSF-GFCCVEGCSA-N 1 0 386.290 1.033 20 0 GDADRO O=C(Nc1c(F)cc(Cl)cc1F)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000453814173 647339148 /nfs/dbraw/zinc/33/91/48/647339148.db2.gz FALHUHIMQANSAY-NSHDSACASA-N 1 0 375.803 1.520 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000453819074 647339646 /nfs/dbraw/zinc/33/96/46/647339646.db2.gz LYHQWDXFZDRHAJ-JTQLQIEISA-N 1 0 375.803 1.520 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000453819902 647340091 /nfs/dbraw/zinc/34/00/91/647340091.db2.gz NVJZRYNJWXEWJR-ZDUSSCGKSA-N 1 0 398.301 1.659 20 0 GDADRO CSC1(CNC(=O)N2CCCC[C@H]2CS(C)(=O)=O)CC[NH+](C)CC1 ZINC000454976405 647366951 /nfs/dbraw/zinc/36/69/51/647366951.db2.gz RBNALTSVMAUJKY-AWEZNQCLSA-N 1 0 377.576 1.423 20 0 GDADRO CN(C)S(=O)(=O)CCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000454991315 647367825 /nfs/dbraw/zinc/36/78/25/647367825.db2.gz ZUJALTUBFVLXEV-UHFFFAOYSA-N 1 0 376.567 1.420 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000920429964 660271293 /nfs/dbraw/zinc/27/12/93/660271293.db2.gz IZTDVZXPODWDKG-UHFFFAOYSA-N 1 0 378.292 1.168 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NC(C)(C)CNS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000921175236 660283402 /nfs/dbraw/zinc/28/34/02/660283402.db2.gz VXFJVRADBOHHTG-AWEZNQCLSA-N 1 0 390.937 1.570 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000921174525 660283431 /nfs/dbraw/zinc/28/34/31/660283431.db2.gz PXYOVRAMUFWDLB-DOMZBBRYSA-N 1 0 388.921 1.263 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000456975832 647409717 /nfs/dbraw/zinc/40/97/17/647409717.db2.gz AYEURXFIARVXDN-RYUDHWBXSA-N 1 0 383.290 1.817 20 0 GDADRO C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000458501889 647442116 /nfs/dbraw/zinc/44/21/16/647442116.db2.gz JPUSHBBDGVVODR-HIFRSBDPSA-N 1 0 382.496 1.949 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCOCC1 ZINC000460053940 647466493 /nfs/dbraw/zinc/46/64/93/647466493.db2.gz MSCASNKBTADCMW-UHFFFAOYSA-N 1 0 398.301 1.198 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000460266438 647468995 /nfs/dbraw/zinc/46/89/95/647468995.db2.gz TWKMGWBDBUVEQG-BBRMVZONSA-N 1 0 384.274 1.639 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)[C@@H](CCSC)NS(=O)(=O)CC)CC1 ZINC000461221634 647486789 /nfs/dbraw/zinc/48/67/89/647486789.db2.gz NTUMUSGLXODLPA-OAHLLOKOSA-N 1 0 379.592 1.286 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cn1 ZINC000461904680 647503510 /nfs/dbraw/zinc/50/35/10/647503510.db2.gz YZHOFBAOZBSHAS-OAHLLOKOSA-N 1 0 384.889 1.892 20 0 GDADRO C[NH+](C)CCOCCNC(=O)Nc1cccc(I)c1 ZINC000463236613 647554975 /nfs/dbraw/zinc/55/49/75/647554975.db2.gz IQXLWXJIFGKEGQ-UHFFFAOYSA-N 1 0 377.226 1.991 20 0 GDADRO 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O=S(=O)(CCNCc1c(Cl)n[nH]c1C1CC1)NC[C@@H]1CCCCO1 ZINC000921725600 660326455 /nfs/dbraw/zinc/32/64/55/660326455.db2.gz MPAWZVSBDJMZIX-LBPRGKRZSA-N 1 0 376.910 1.519 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]Cc2cnc3n2CCOC3)CC1)C(F)(F)F ZINC000921729537 660327287 /nfs/dbraw/zinc/32/72/87/660327287.db2.gz OCMZGYFCDDYTRA-UHFFFAOYSA-N 1 0 382.408 1.065 20 0 GDADRO C[C@@]1(C(N)=O)CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000483284726 647901535 /nfs/dbraw/zinc/90/15/35/647901535.db2.gz IXWJFKFKVRLUCZ-IUODEOHRSA-N 1 0 375.238 1.525 20 0 GDADRO OC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000483317055 647902372 /nfs/dbraw/zinc/90/23/72/647902372.db2.gz SXTZQOVNXPWUHD-HOCLYGCPSA-N 1 0 392.265 1.705 20 0 GDADRO O=C(NCc1cn2cc(Br)ccc2n1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485814292 647929564 /nfs/dbraw/zinc/92/95/64/647929564.db2.gz GSLKGMGISPJKFB-JTQLQIEISA-N 1 0 389.257 1.827 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000486307119 647935417 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[NH3+][C@H](CC(F)F)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000498216920 648052190 /nfs/dbraw/zinc/05/21/90/648052190.db2.gz SFKIAKFKISIQTQ-WCQYABFASA-N 1 0 379.404 1.078 20 0 GDADRO Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000499105883 648075628 /nfs/dbraw/zinc/07/56/28/648075628.db2.gz DCHIGLKJHGOBED-INIZCTEOSA-N 1 0 388.555 1.433 20 0 GDADRO COc1ccc(Cl)cc1CS(=O)(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000500096022 648100309 /nfs/dbraw/zinc/10/03/09/648100309.db2.gz FIMQCLZFJSAQII-UHFFFAOYSA-N 1 0 376.906 1.567 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000500124247 648101884 /nfs/dbraw/zinc/10/18/84/648101884.db2.gz MUHOOVSOQCUBIP-ZMSDIMECSA-N 1 0 393.619 1.674 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)s1 ZINC000501550559 648142630 /nfs/dbraw/zinc/14/26/30/648142630.db2.gz KSQNMQQCGQFETL-OLZOCXBDSA-N 1 0 388.559 1.718 20 0 GDADRO COc1cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)sc1S(N)(=O)=O ZINC000501628172 648144148 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GDADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000513567526 648434991 /nfs/dbraw/zinc/43/49/91/648434991.db2.gz GJMBORHSCHKSIK-BFYDXBDKSA-N 1 0 388.555 1.689 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1I ZINC000514672913 648458782 /nfs/dbraw/zinc/45/87/82/648458782.db2.gz YUUCQEXKHUHUCA-QWRGUYRKSA-N 1 0 394.278 1.957 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CCC[NH2+]3)nc12 ZINC000514721791 648462152 /nfs/dbraw/zinc/46/21/52/648462152.db2.gz CBOAMKOOEGXDGM-ZDUSSCGKSA-N 1 0 380.290 1.999 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)[C@H]1C ZINC000515060299 648478730 /nfs/dbraw/zinc/47/87/30/648478730.db2.gz GEDNFELQHJBWFN-MNOVXSKESA-N 1 0 379.404 1.193 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000515435008 648496172 /nfs/dbraw/zinc/49/61/72/648496172.db2.gz TUEUVJKQBQJTJH-NEPJUHHUSA-N 1 0 397.273 1.624 20 0 GDADRO NS(=O)(=O)c1ccccc1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000515498487 648497471 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COc1cc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)sc1S(N)(=O)=O ZINC000574402489 651539026 /nfs/dbraw/zinc/53/90/26/651539026.db2.gz XYVWMDPTQZTRHY-ZDUSSCGKSA-N 1 0 387.527 1.254 20 0 GDADRO COc1cc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)sc1S(N)(=O)=O ZINC000574402488 651539092 /nfs/dbraw/zinc/53/90/92/651539092.db2.gz XYVWMDPTQZTRHY-CYBMUJFWSA-N 1 0 387.527 1.254 20 0 GDADRO Cc1cc(Br)ccc1SCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574651833 651557317 /nfs/dbraw/zinc/55/73/17/651557317.db2.gz JJGXVKYHJFXZFU-STQMWFEESA-N 1 0 398.326 1.620 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000574754987 651565759 /nfs/dbraw/zinc/56/57/59/651565759.db2.gz UQTFDFLQXMPHQN-JSGCOSHPSA-N 1 0 387.527 1.015 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)Nc2nnc3ccc(Br)cn32)CC1 ZINC000574852086 651574490 /nfs/dbraw/zinc/57/44/90/651574490.db2.gz GVHUDOWKBXIEME-UHFFFAOYSA-N 1 0 379.262 2.265 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000575038521 651578530 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651757385 /nfs/dbraw/zinc/75/73/85/651757385.db2.gz MMKWENSKTPLUSS-IUODEOHRSA-N 1 0 395.301 1.853 20 0 GDADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc[nH]c(=O)c3Br)C2)CC1 ZINC000577997785 651764315 /nfs/dbraw/zinc/76/43/15/651764315.db2.gz GUTXELXSLLEJQY-CYBMUJFWSA-N 1 0 397.317 1.790 20 0 GDADRO O=C([C@H]1CCCCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000578193755 651779973 /nfs/dbraw/zinc/77/99/73/651779973.db2.gz OQIIZIIZVXYLDQ-MRXNPFEDSA-N 1 0 385.917 1.705 20 0 GDADRO C[C@]([NH3+])(C(=O)N1CCO[C@@H](C(=O)C2CC2)C1)c1ccc(Br)cc1 ZINC000578235708 651783118 /nfs/dbraw/zinc/78/31/18/651783118.db2.gz SEIMKVBVJWOPKI-RHSMWYFYSA-N 1 0 381.270 1.830 20 0 GDADRO O=C(CNC(=O)c1cc2sc(N3CCCC3)nc2s1)N1CC[NH2+]CC1 ZINC000578315545 651789021 /nfs/dbraw/zinc/78/90/21/651789021.db2.gz XPXSSGNXAIZSHR-UHFFFAOYSA-N 1 0 379.511 1.120 20 0 GDADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CNC(=O)c3ccc(Br)s3)[C@@H]2C1 ZINC000578524204 651797556 /nfs/dbraw/zinc/79/75/56/651797556.db2.gz NDKVPBVFCNHCBR-WDEREUQCSA-N 1 0 386.315 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394.295 1.615 20 0 GDADRO O[C@H](C[NH2+]C[C@@H](O)CC1(O)CCOCC1)COc1cccc(Cl)c1Cl ZINC000634644669 653496006 /nfs/dbraw/zinc/49/60/06/653496006.db2.gz ZCNGRCRSXFNOOH-QWHCGFSZSA-N 1 0 394.295 1.615 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CCCN1CCO ZINC000634720446 653497342 /nfs/dbraw/zinc/49/73/42/653497342.db2.gz KFVFLYURZWPQCN-ZFWWWQNUSA-N 1 0 377.268 1.306 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1 ZINC000635097851 653506234 /nfs/dbraw/zinc/50/62/34/653506234.db2.gz VFNKMMLXUDVFLP-CQSZACIVSA-N 1 0 385.917 1.515 20 0 GDADRO O=C([C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000635421011 653516691 /nfs/dbraw/zinc/51/66/91/653516691.db2.gz UQFNROPEENVYTF-UONOGXRCSA-N 1 0 382.448 1.686 20 0 GDADRO Cn1cnc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1=O ZINC000635444743 653517393 /nfs/dbraw/zinc/51/73/93/653517393.db2.gz UAOPGSOXZRJTRN-UHFFFAOYSA-N 1 0 393.285 1.747 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc3ncc(Br)cn3n2)CCO1 ZINC000637416950 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/nfs/dbraw/zinc/53/79/53/653537953.db2.gz IFTOWLAZCCDFHM-UHFFFAOYSA-N 1 0 379.507 1.790 20 0 GDADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000638322891 653538050 /nfs/dbraw/zinc/53/80/50/653538050.db2.gz AUWRCJOUSCOSKM-LRDDRELGSA-N 1 0 395.257 1.882 20 0 GDADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000638322890 653538138 /nfs/dbraw/zinc/53/81/38/653538138.db2.gz AUWRCJOUSCOSKM-BLLLJJGKSA-N 1 0 395.257 1.882 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)COc3ccc(Br)cn3)CC2)C1 ZINC000638347229 653538490 /nfs/dbraw/zinc/53/84/90/653538490.db2.gz PHMRGYOCBRHKID-HUUCEWRRSA-N 1 0 398.301 1.968 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638337591 653538581 /nfs/dbraw/zinc/53/85/81/653538581.db2.gz HYCZZXSUWSQSDA-GJZGRUSLSA-N 1 0 396.285 1.045 20 0 GDADRO CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000638545903 653539415 /nfs/dbraw/zinc/53/94/15/653539415.db2.gz AGKISVCOYZJZIO-DGCLKSJQSA-N 1 0 379.404 1.194 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC[C@H]1C(F)(F)F ZINC000638553173 653539692 /nfs/dbraw/zinc/53/96/92/653539692.db2.gz RJAJPNWBJOVFCX-IVZWLZJFSA-N 1 0 375.313 1.383 20 0 GDADRO C[NH2+]CCOCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000638580867 653540512 /nfs/dbraw/zinc/54/05/12/653540512.db2.gz HKPSUFMPCSUAQP-UHFFFAOYSA-N 1 0 388.917 1.779 20 0 GDADRO O=C(COC1CC[NH2+]CC1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638594743 653541110 /nfs/dbraw/zinc/54/11/10/653541110.db2.gz CBOYKQSOVAXRLX-OAHLLOKOSA-N 1 0 396.285 1.439 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000638654009 653542017 /nfs/dbraw/zinc/54/20/17/653542017.db2.gz CPBHAOXAJBMEOT-GHMZBOCLSA-N 1 0 394.324 1.919 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000638769717 653543105 /nfs/dbraw/zinc/54/31/05/653543105.db2.gz SOLGEGMYSPKTNC-JOYOIKCWSA-N 1 0 390.303 1.180 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cccn(C(F)F)c2=O)c(C)s1 ZINC000638789255 653543735 /nfs/dbraw/zinc/54/37/35/653543735.db2.gz TZKQJGOLCGYFOG-UHFFFAOYSA-N 1 0 391.465 1.990 20 0 GDADRO COc1nsc(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1Br ZINC000639285989 653549336 /nfs/dbraw/zinc/54/93/36/653549336.db2.gz SBRXMMGHIMIULM-VIFPVBQESA-N 1 0 377.308 1.466 20 0 GDADRO O=c1cc(C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)[nH]c2ccnn21 ZINC000639771532 653553057 /nfs/dbraw/zinc/55/30/57/653553057.db2.gz CZLPTVMHULPYKT-ZDUSSCGKSA-N 1 0 390.241 1.833 20 0 GDADRO [NH3+][C@@H](CO)Cc1cn(Cc2cc(Br)ccc2OC(F)F)nn1 ZINC000641009837 653562122 /nfs/dbraw/zinc/56/21/22/653562122.db2.gz MJVBDZSVYNWUCC-SNVBAGLBSA-N 1 0 377.189 1.552 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)n1cc([C@H]([NH3+])CO)nn1 ZINC000640925751 653560649 /nfs/dbraw/zinc/56/06/49/653560649.db2.gz MNJZTTPBUASPRP-ZWNOBZJWSA-N 1 0 382.262 1.252 20 0 GDADRO [NH3+][C@@H](c1cn(Cc2cn3cc(Br)ccc3n2)nn1)[C@H]1CCCO1 ZINC000640958961 653561416 /nfs/dbraw/zinc/56/14/16/653561416.db2.gz RUCXHXTXJINGPG-HIFRSBDPSA-N 1 0 377.246 1.915 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(C[C@@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000641200509 653562952 /nfs/dbraw/zinc/56/29/52/653562952.db2.gz BETWGDIVBQYKNK-WCQYABFASA-N 1 0 389.283 1.931 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cnn2cc(Br)cnc12)[NH+]1CCCC1 ZINC000641276423 653563577 /nfs/dbraw/zinc/56/35/77/653563577.db2.gz GAQVQVXOQUCCLY-JTQLQIEISA-N 1 0 388.291 1.254 20 0 GDADRO CC1(C)[C@@H](CS(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1(F)F ZINC000641510682 653570632 /nfs/dbraw/zinc/57/06/32/653570632.db2.gz JNFIQZJSHXSJLR-CYBMUJFWSA-N 1 0 381.489 1.189 20 0 GDADRO Cc1csc(CC2(O)CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)n1 ZINC000641643611 653573625 /nfs/dbraw/zinc/57/36/25/653573625.db2.gz HNUBBJAQRLBQTK-UHFFFAOYSA-N 1 0 387.571 1.637 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000641650215 653574253 /nfs/dbraw/zinc/57/42/53/653574253.db2.gz PHXRZVWORPSSFO-UHFFFAOYSA-N 1 0 384.527 1.308 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000641665719 653574888 /nfs/dbraw/zinc/57/48/88/653574888.db2.gz XDDSLUOZBIGSRK-KRWDZBQOSA-N 1 0 396.329 1.976 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccccc1Br ZINC000642091687 653576794 /nfs/dbraw/zinc/57/67/94/653576794.db2.gz QRGJGEFLFPSYPN-HUBLWGQQSA-N 1 0 380.286 1.837 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 ZINC000642640448 653578901 /nfs/dbraw/zinc/57/89/01/653578901.db2.gz BMRJDFOVCJJGII-UHFFFAOYSA-N 1 0 388.295 1.966 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCCS(=O)(=O)NC(C)(C)C)c1cccs1 ZINC000642630254 653578918 /nfs/dbraw/zinc/57/89/18/653578918.db2.gz IZJKEIXBOUJPDK-GFCCVEGCSA-N 1 0 376.548 1.368 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642640077 653578930 /nfs/dbraw/zinc/57/89/30/653578930.db2.gz PTKLNJZKBRRMQN-UHFFFAOYSA-N 1 0 398.301 1.375 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642808429 653579460 /nfs/dbraw/zinc/57/94/60/653579460.db2.gz OSUWGHHJJXFWKY-WCQYABFASA-N 1 0 398.301 1.893 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000642903978 653579702 /nfs/dbraw/zinc/57/97/02/653579702.db2.gz PURAYHNRYOQYFU-ZDUSSCGKSA-N 1 0 398.276 1.731 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000642905646 653579708 /nfs/dbraw/zinc/57/97/08/653579708.db2.gz RCWZHAVLBBGPQT-ZDUSSCGKSA-N 1 0 380.286 1.592 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)CC2 ZINC000642903634 653579733 /nfs/dbraw/zinc/57/97/33/653579733.db2.gz MPFDCRDHCCOBCD-AWEZNQCLSA-N 1 0 394.313 1.901 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2Br)CC[C@H]1[NH3+] ZINC000643474940 653582912 /nfs/dbraw/zinc/58/29/12/653582912.db2.gz QOQSIRWKEWLGBK-IUODEOHRSA-N 1 0 382.302 1.993 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)s2)CCO1 ZINC000643477636 653583035 /nfs/dbraw/zinc/58/30/35/653583035.db2.gz ZEYLCBIZDURDDW-ONGXEEELSA-N 1 0 390.303 1.044 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643541722 653583411 /nfs/dbraw/zinc/58/34/11/653583411.db2.gz QGNLNAKWQCKZJX-ZJUUUORDSA-N 1 0 376.404 1.331 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)C[C@@H]3COCC[NH2+]3)C2=O)ccc1Br ZINC000644153460 653596038 /nfs/dbraw/zinc/59/60/38/653596038.db2.gz BFQYILSLQJVDLM-IUODEOHRSA-N 1 0 396.285 1.358 20 0 GDADRO CS(=O)(=O)Cc1c2ccccc2oc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000644164583 653596115 /nfs/dbraw/zinc/59/61/15/653596115.db2.gz XHKUBYCGGAJJQY-GFCCVEGCSA-N 1 0 378.372 1.987 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644299277 653597394 /nfs/dbraw/zinc/59/73/94/653597394.db2.gz IOKIBZDVMYKEBH-SKDRFNHKSA-N 1 0 393.278 1.921 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC1CCOCC1 ZINC000644533542 653599148 /nfs/dbraw/zinc/59/91/48/653599148.db2.gz JHBGOLFWFMFSJT-UHFFFAOYSA-N 1 0 389.539 1.660 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000644537297 653599167 /nfs/dbraw/zinc/59/91/67/653599167.db2.gz WWWGZPHTGRUNAN-HNNXBMFYSA-N 1 0 380.432 1.624 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)COc2ccccc2C)s1 ZINC000644603595 653599519 /nfs/dbraw/zinc/59/95/19/653599519.db2.gz BWFVEPWBKUGZKG-OAHLLOKOSA-N 1 0 384.523 1.673 20 0 GDADRO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCCNS(=O)(=O)c1cccs1 ZINC000644604178 653599560 /nfs/dbraw/zinc/59/95/60/653599560.db2.gz NDYPGMDKRBYTJL-MRXNPFEDSA-N 1 0 383.539 1.109 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000644616464 653599630 /nfs/dbraw/zinc/59/96/30/653599630.db2.gz IDHMJGGKCKKJIZ-UHFFFAOYSA-N 1 0 388.555 1.500 20 0 GDADRO C[C@@H](OC[C@@H](O)C[NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000644627019 653599679 /nfs/dbraw/zinc/59/96/79/653599679.db2.gz AZEQTMVSMBUWQC-WBMJQRKESA-N 1 0 376.906 1.260 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCOC1 ZINC000644622614 653599708 /nfs/dbraw/zinc/59/97/08/653599708.db2.gz OIPQCZOCMZKXGP-DZGCQCFKSA-N 1 0 378.238 1.723 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644657452 653599941 /nfs/dbraw/zinc/59/99/41/653599941.db2.gz RXBOBQFKFMTVSK-QWRGUYRKSA-N 1 0 385.313 1.651 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Cn4cc(Br)cn4)on3)[C@@H]2C1 ZINC000644814963 653600553 /nfs/dbraw/zinc/60/05/53/653600553.db2.gz NKLZLYYOUNMCBL-QMTHXVAHSA-N 1 0 380.246 1.458 20 0 GDADRO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)CC[N@@H+](C2CCC2)C1 ZINC000644826189 653600606 /nfs/dbraw/zinc/60/06/06/653600606.db2.gz DZDPERLFNOUYKB-AWEZNQCLSA-N 1 0 385.555 1.749 20 0 GDADRO CN(C(=O)c1nn(C)cc1Br)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645397936 653602481 /nfs/dbraw/zinc/60/24/81/653602481.db2.gz ASJJULMFOVXNMM-CYBMUJFWSA-N 1 0 384.322 1.423 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(F)cc1Br ZINC000645625681 653605024 /nfs/dbraw/zinc/60/50/24/653605024.db2.gz SQWFNZDNTLEEDW-HZMBPMFUSA-N 1 0 384.249 1.998 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645655993 653605461 /nfs/dbraw/zinc/60/54/61/653605461.db2.gz MMIJTWSFCLPZAT-UHFFFAOYSA-N 1 0 399.738 1.836 20 0 GDADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)CCCC1CCOCC1 ZINC000645718547 653606168 /nfs/dbraw/zinc/60/61/68/653606168.db2.gz BGCSIGMHGIQGJM-UHFFFAOYSA-N 1 0 376.563 1.956 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000645836197 653607312 /nfs/dbraw/zinc/60/73/12/653607312.db2.gz IWPLZFGBBNWZAA-HIFPTAJRSA-N 1 0 385.452 1.489 20 0 GDADRO COc1cc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)ccc1Cl ZINC000645836507 653607328 /nfs/dbraw/zinc/60/73/28/653607328.db2.gz SZZMUILXSJSCHW-NSHDSACASA-N 1 0 375.878 1.089 20 0 GDADRO Cc1cc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(Cl)cc1F ZINC000645835339 653607336 /nfs/dbraw/zinc/60/73/36/653607336.db2.gz OAHOFXDDQVQBND-NSHDSACASA-N 1 0 377.869 1.528 20 0 GDADRO COc1ccc(Br)cc1C1([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000645974498 653608195 /nfs/dbraw/zinc/60/81/95/653608195.db2.gz DGGDJEDNQDPSNV-AWEZNQCLSA-N 1 0 385.302 1.730 20 0 GDADRO O=c1c2c(ncn1Cc1nc3cc(Br)ccc3o1)CC[NH2+]CC2 ZINC000646084154 653608788 /nfs/dbraw/zinc/60/87/88/653608788.db2.gz WYXPTAWMEMFNEX-UHFFFAOYSA-N 1 0 375.226 1.884 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccccc1Br ZINC000646203143 653609094 /nfs/dbraw/zinc/60/90/94/653609094.db2.gz WKVGCYHDGYFNAJ-HUUCEWRRSA-N 1 0 380.286 1.981 20 0 GDADRO CCOc1c(Br)cc(C(=O)N[C@@H](CO)C[NH+](C)C)cc1OC ZINC000646210016 653609095 /nfs/dbraw/zinc/60/90/95/653609095.db2.gz UHSBKLMEOGVSOT-LLVKDONJSA-N 1 0 375.263 1.509 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000646210356 653609160 /nfs/dbraw/zinc/60/91/60/653609160.db2.gz ZKAHSYPHMYSNAJ-CQSZACIVSA-N 1 0 395.301 1.904 20 0 GDADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000646481494 653610348 /nfs/dbraw/zinc/61/03/48/653610348.db2.gz OBLBEUGTZNHTJK-AAEUAGOBSA-N 1 0 396.285 1.726 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCc2cc(Br)ccc2C1 ZINC000646513345 653610527 /nfs/dbraw/zinc/61/05/27/653610527.db2.gz SPPHTDZUDFMDOR-ZDUSSCGKSA-N 1 0 375.288 1.096 20 0 GDADRO C[C@]([NH3+])(C(=O)NC[C@H](CO)Cc1cccnc1)c1ccc(Br)cc1 ZINC000646555352 653610748 /nfs/dbraw/zinc/61/07/48/653610748.db2.gz FVBPYROZBVUUIY-RDTXWAMCSA-N 1 0 392.297 1.985 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000646822289 653614470 /nfs/dbraw/zinc/61/44/70/653614470.db2.gz VVBYDRAFCYTXMF-JTQLQIEISA-N 1 0 387.267 1.510 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCO1 ZINC000646844809 653614825 /nfs/dbraw/zinc/61/48/25/653614825.db2.gz AYUUZXKTMGXDBS-ITDIGPHOSA-N 1 0 386.279 1.921 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)[C@@H]2C1 ZINC000646912156 653616319 /nfs/dbraw/zinc/61/63/19/653616319.db2.gz OGZWGEQODJIQQM-WOSRLPQWSA-N 1 0 392.297 1.965 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000646985055 653618664 /nfs/dbraw/zinc/61/86/64/653618664.db2.gz KPJKNTXCKQKBOY-CMPLNLGQSA-N 1 0 394.269 1.692 20 0 GDADRO C[C@H]([NH3+])CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000647022418 653619014 /nfs/dbraw/zinc/61/90/14/653619014.db2.gz MTCOMMFFHQRIBM-JQWIXIFHSA-N 1 0 386.265 1.904 20 0 GDADRO C[C@@H](CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)n1cc(Br)cn1 ZINC000647087541 653620346 /nfs/dbraw/zinc/62/03/46/653620346.db2.gz HXHNUWFXIGAASB-SMDDNHRTSA-N 1 0 396.293 1.511 20 0 GDADRO Cc1ccccc1-n1cc(C[NH2+]CCS(=O)(=O)N2CCSCC2)cn1 ZINC000647181549 653622911 /nfs/dbraw/zinc/62/29/11/653622911.db2.gz GRWWSVUOXHXDOC-UHFFFAOYSA-N 1 0 380.539 1.649 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2csc(N3CCCC3)n2)c(F)c1 ZINC000647184413 653623017 /nfs/dbraw/zinc/62/30/17/653623017.db2.gz FGERSJSRCFYWET-UHFFFAOYSA-N 1 0 384.502 1.862 20 0 GDADRO Cn1cc(Br)c2ccc(S(=O)(=O)N3CCO[C@H](C[NH3+])C3)cc21 ZINC000647250961 653624336 /nfs/dbraw/zinc/62/43/36/653624336.db2.gz MRKJLGGVYUTRLY-SNVBAGLBSA-N 1 0 388.287 1.289 20 0 GDADRO O=C(c1cccc(Cl)c1)N1CCC[C@H](S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000647302381 653625743 /nfs/dbraw/zinc/62/57/43/653625743.db2.gz WBJGIHFZGOPMEI-CAOSSQGBSA-N 1 0 383.901 1.082 20 0 GDADRO OCc1cn(CCC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000647529729 653628228 /nfs/dbraw/zinc/62/82/28/653628228.db2.gz YOQUAQZJOJWOJQ-GFCCVEGCSA-N 1 0 375.256 1.497 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCCN1CCO ZINC000647531668 653628337 /nfs/dbraw/zinc/62/83/37/653628337.db2.gz PNZNURHXPJTTCK-JSGCOSHPSA-N 1 0 377.268 1.306 20 0 GDADRO O=C(NCc1cc(Cl)ccc1Br)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000647596313 653629829 /nfs/dbraw/zinc/62/98/29/653629829.db2.gz TVJCOHLBGZRSDX-LBPRGKRZSA-N 1 0 388.693 1.977 20 0 GDADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000647651128 653632128 /nfs/dbraw/zinc/63/21/28/653632128.db2.gz AIQBMCAZMYEHMH-NSHDSACASA-N 1 0 379.935 1.623 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1nc(C2CC2)ncc1Br ZINC000647673611 653632460 /nfs/dbraw/zinc/63/24/60/653632460.db2.gz QGRHUEOYIPNUNY-JTQLQIEISA-N 1 0 396.289 1.309 20 0 GDADRO C[C@@H]1CCCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)[C@@H]1C[NH3+] ZINC000647819626 653635101 /nfs/dbraw/zinc/63/51/01/653635101.db2.gz NAAXGGGWMAENTR-BXUZGUMPSA-N 1 0 389.315 1.809 20 0 GDADRO CN(CCC[NH3+])C(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000647830333 653635457 /nfs/dbraw/zinc/63/54/57/653635457.db2.gz HPRMDJCQWDTYGD-HNNXBMFYSA-N 1 0 397.317 1.930 20 0 GDADRO CN(CCN1CC[NH2+]CC1)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000647835882 653635693 /nfs/dbraw/zinc/63/56/93/653635693.db2.gz SUZVBKJHWAMJFK-UHFFFAOYSA-N 1 0 394.317 1.760 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000647833565 653635730 /nfs/dbraw/zinc/63/57/30/653635730.db2.gz PCJRJKLYCMGPPF-TVQRCGJNSA-N 1 0 382.258 1.945 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H]1CNc2ccnn2C1)c1ccc(F)cc1Cl ZINC000648031751 653637569 /nfs/dbraw/zinc/63/75/69/653637569.db2.gz CXEARKQXRCUQSG-NSHDSACASA-N 1 0 387.868 1.285 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000648107734 653638831 /nfs/dbraw/zinc/63/88/31/653638831.db2.gz KAJAXTRMBVYAMG-QWRGUYRKSA-N 1 0 379.404 1.179 20 0 GDADRO CC1([NH3+])CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000648120880 653639151 /nfs/dbraw/zinc/63/91/51/653639151.db2.gz UTMGQHHSOGDTNP-UHFFFAOYSA-N 1 0 389.315 1.704 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000648183469 653640911 /nfs/dbraw/zinc/64/09/11/653640911.db2.gz HAKXSGXEYCCEGZ-KBPBESRZSA-N 1 0 383.539 1.692 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@H](C)n2cc(Br)cn2)CC1 ZINC000648781997 653655335 /nfs/dbraw/zinc/65/53/35/653655335.db2.gz KVQZZXICTZGQJI-KBPBESRZSA-N 1 0 386.338 1.739 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2c(F)ccc(Br)c2OC)CC1 ZINC000648781873 653655382 /nfs/dbraw/zinc/65/53/82/653655382.db2.gz AYDFTIRJBUZEAR-UHFFFAOYSA-N 1 0 388.281 1.964 20 0 GDADRO COc1c(Br)ccc(F)c1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000648803939 653656252 /nfs/dbraw/zinc/65/62/52/653656252.db2.gz NQLTUIDCJMQXHS-UHFFFAOYSA-N 1 0 375.238 1.783 20 0 GDADRO COc1ncc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1Br ZINC000649068140 653662863 /nfs/dbraw/zinc/66/28/63/653662863.db2.gz AHCDGSRAQYKKNT-JTQLQIEISA-N 1 0 385.262 1.045 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)c(F)cc1F ZINC000649071577 653663155 /nfs/dbraw/zinc/66/31/55/653663155.db2.gz NBXYENKUIGXTCF-VIFPVBQESA-N 1 0 390.228 1.919 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000649076815 653663826 /nfs/dbraw/zinc/66/38/26/653663826.db2.gz DRTWWIPJRSLLII-SNVBAGLBSA-N 1 0 381.527 1.616 20 0 GDADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NCCN1CC[NH2+]CC1 ZINC000649422335 653667400 /nfs/dbraw/zinc/66/74/00/653667400.db2.gz NSDNHGZNLOQRMV-UHFFFAOYSA-N 1 0 396.738 1.427 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1cccc(Br)c1F ZINC000649422552 653667419 /nfs/dbraw/zinc/66/74/19/653667419.db2.gz XXNNWKXEFAHOCH-UHFFFAOYSA-N 1 0 380.283 1.114 20 0 GDADRO COCC[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cn2)C(C)(C)C1 ZINC000649849631 653676334 /nfs/dbraw/zinc/67/63/34/653676334.db2.gz DHAXSWKFYFHGRP-UHFFFAOYSA-N 1 0 385.306 1.825 20 0 GDADRO C[C@H](CCO)[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000649866389 653677276 /nfs/dbraw/zinc/67/72/76/653677276.db2.gz RXBORTGGQSHTEE-GFCCVEGCSA-N 1 0 391.921 1.622 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1=O ZINC000650303639 653690390 /nfs/dbraw/zinc/69/03/90/653690390.db2.gz KBIADVZYIPYURP-UHFFFAOYSA-N 1 0 386.265 1.363 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1=O ZINC000650305681 653690881 /nfs/dbraw/zinc/69/08/81/653690881.db2.gz GAKCABPFUMEMLB-UHFFFAOYSA-N 1 0 390.228 1.573 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1=O ZINC000650310188 653691492 /nfs/dbraw/zinc/69/14/92/653691492.db2.gz QODOUSHVBWSANO-INIZCTEOSA-N 1 0 394.313 1.711 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2nscc2Br)CC1 ZINC000651299786 653818624 /nfs/dbraw/zinc/81/86/24/653818624.db2.gz WDJHWQHZVNZQKY-UHFFFAOYSA-N 1 0 389.319 1.578 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000651579618 653834264 /nfs/dbraw/zinc/83/42/64/653834264.db2.gz IZYNOLGFVYCWIB-MRXNPFEDSA-N 1 0 386.539 1.610 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(F)c1)NCC[NH+]1CCCCCC1 ZINC000651716746 653850450 /nfs/dbraw/zinc/85/04/50/653850450.db2.gz HCIFUTOCVYHVAS-UHFFFAOYSA-N 1 0 391.896 1.750 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1=O ZINC000651793479 653856760 /nfs/dbraw/zinc/85/67/60/653856760.db2.gz SQSINXFSAFGLPT-UHFFFAOYSA-N 1 0 377.869 1.015 20 0 GDADRO CN(CCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)S(=O)(=O)c1cccs1 ZINC000652171307 653883730 /nfs/dbraw/zinc/88/37/30/653883730.db2.gz IKAWLJYXHKHSND-BBRMVZONSA-N 1 0 386.543 1.139 20 0 GDADRO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000652262153 653886448 /nfs/dbraw/zinc/88/64/48/653886448.db2.gz QMFCKZHUENWHCU-HZMBPMFUSA-N 1 0 393.303 1.289 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)C[C@H]1C[NH3+] ZINC000652636584 653894705 /nfs/dbraw/zinc/89/47/05/653894705.db2.gz PYQMNGCLQPVWAE-TZMCWYRMSA-N 1 0 398.301 1.827 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)C[C@H]1C[NH3+] ZINC000652637562 653895244 /nfs/dbraw/zinc/89/52/44/653895244.db2.gz ZFNKWTXCMORSHK-BXUZGUMPSA-N 1 0 384.274 1.518 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)c1 ZINC000652643636 653895291 /nfs/dbraw/zinc/89/52/91/653895291.db2.gz USYZRLPDVLZXEA-UHFFFAOYSA-N 1 0 384.274 1.902 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652667035 653896024 /nfs/dbraw/zinc/89/60/24/653896024.db2.gz ARGDMQAIGXPQFN-GFCCVEGCSA-N 1 0 382.302 1.742 20 0 GDADRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000653070682 653905012 /nfs/dbraw/zinc/90/50/12/653905012.db2.gz GDLDXRXDMBZZNF-GJZGRUSLSA-N 1 0 383.539 1.548 20 0 GDADRO [NH3+]CC1(CCNC(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000653218181 653908530 /nfs/dbraw/zinc/90/85/30/653908530.db2.gz ZHPLICFVIRPCHD-UHFFFAOYSA-N 1 0 386.265 1.953 20 0 GDADRO C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)[C@H]1CC[NH3+] ZINC000653243728 653908812 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GDADRO O=C(CNC(=O)C[N@H+]1CCCCC[C@H]1CO)Nc1ccccc1Br ZINC000653783225 653922062 /nfs/dbraw/zinc/92/20/62/653922062.db2.gz MDOGTZLVXDZLJC-ZDUSSCGKSA-N 1 0 398.301 1.741 20 0 GDADRO O=C(CSc1nnnn1CC(F)(F)F)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654311459 653933413 /nfs/dbraw/zinc/93/34/13/653933413.db2.gz PPOLHOWXILUDBW-WDEREUQCSA-N 1 0 378.424 1.461 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000654360377 653934093 /nfs/dbraw/zinc/93/40/93/653934093.db2.gz IWCCUFOEIQPQEU-UONOGXRCSA-N 1 0 386.543 1.472 20 0 GDADRO C[C@H]1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)[C@@H](C)[C@H]1[NH3+] ZINC000654827977 653947527 /nfs/dbraw/zinc/94/75/27/653947527.db2.gz IIBYQEMSYBQPFY-PGUXBMHVSA-N 1 0 389.315 1.807 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)C1 ZINC000654888005 653950044 /nfs/dbraw/zinc/95/00/44/653950044.db2.gz XJXGCDHJMXAQSI-PHIMTYICSA-N 1 0 387.889 1.138 20 0 GDADRO C[C@H](NC(=O)c1ccc(Cl)cc1Br)C(=O)NCC[NH+](C)C ZINC000655081588 653958058 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376.881 1.626 20 0 GDADRO O=c1cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)nc2ccc(Br)cn12 ZINC000661599575 654277775 /nfs/dbraw/zinc/27/77/75/654277775.db2.gz VDVNIOYLLVGTRY-RISCZKNCSA-N 1 0 391.269 1.558 20 0 GDADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2nnc(S(C)(=O)=O)s2)C1 ZINC000661650999 654280592 /nfs/dbraw/zinc/28/05/92/654280592.db2.gz XTPAETZDTHEEOK-OAHLLOKOSA-N 1 0 380.539 1.690 20 0 GDADRO C[C@H](NC(=O)[C@H](C)[N@H+](C)CC1=CCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000662268143 654291572 /nfs/dbraw/zinc/29/15/72/654291572.db2.gz QTCUQJFKWNACPR-STQMWFEESA-N 1 0 383.539 1.505 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC2CC1(C[NH3+])C2 ZINC000662304850 654292665 /nfs/dbraw/zinc/29/26/65/654292665.db2.gz CKYVTFQIXFQQTL-UHFFFAOYSA-N 1 0 386.539 1.067 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2sc3c(c2Br)CNC3)CCOCC1 ZINC000662459836 654293880 /nfs/dbraw/zinc/29/38/80/654293880.db2.gz MLUNAFXRADGAJC-UHFFFAOYSA-N 1 0 388.331 1.954 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000662602850 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1.345 20 0 GDADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000667474171 654452038 /nfs/dbraw/zinc/45/20/38/654452038.db2.gz DPIWUZAVRKAABG-HNNXBMFYSA-N 1 0 388.212 1.878 20 0 GDADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667540284 654454681 /nfs/dbraw/zinc/45/46/81/654454681.db2.gz HCJSQWWHRPFRBP-QPUJVOFHSA-N 1 0 388.212 1.876 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(OC)c(Br)c2)CC[C@H]1[NH3+] ZINC000667548919 654454987 /nfs/dbraw/zinc/45/49/87/654454987.db2.gz XOBCXCWNEFVKRJ-GXFFZTMASA-N 1 0 384.274 1.982 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000667542398 654455020 /nfs/dbraw/zinc/45/50/20/654455020.db2.gz TYDFZFDAURBXMT-HZMBPMFUSA-N 1 0 382.258 1.607 20 0 GDADRO CCOc1cc(Br)c(NC(=O)C(=O)NC[C@@H](C)[NH3+])cc1OCC ZINC000667559681 654455842 /nfs/dbraw/zinc/45/58/42/654455842.db2.gz RZORSBKQVZPVKE-SECBINFHSA-N 1 0 388.262 1.648 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH3+])n(-c2cccc(Br)c2)n1 ZINC000667559436 654456069 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386.949 1.873 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000769624385 654473141 /nfs/dbraw/zinc/47/31/41/654473141.db2.gz HOQKZBOZUWGIMG-LBPRGKRZSA-N 1 0 396.289 1.578 20 0 GDADRO C[NH+](C)CCCNC(=S)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732626330 654483722 /nfs/dbraw/zinc/48/37/22/654483722.db2.gz XKPSMAVXDACZBB-KRWDZBQOSA-N 1 0 384.977 1.817 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1nccn2c(Br)cnc12 ZINC000769993579 654495282 /nfs/dbraw/zinc/49/52/82/654495282.db2.gz MTJRYBQAIYHDDB-LBPRGKRZSA-N 1 0 394.273 1.475 20 0 GDADRO CCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cn1)[C@H]1CC[N@H+](CC)C1 ZINC000669248472 654500699 /nfs/dbraw/zinc/50/06/99/654500699.db2.gz JJFLMYLAPPXMEP-OCCSQVGLSA-N 1 0 397.317 1.964 20 0 GDADRO COc1ccc(C(=O)NCC[N@@H+]2CCC[C@H]2C)nc1I ZINC000770151070 654501893 /nfs/dbraw/zinc/50/18/93/654501893.db2.gz QOQFWCKVBLLETJ-SNVBAGLBSA-N 1 0 389.237 1.909 20 0 GDADRO O=C(OCC[NH+]1CCCCC1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000770397626 654510863 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GDADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1)C1CC[NH+](C)CC1 ZINC000672013778 654549109 /nfs/dbraw/zinc/54/91/09/654549109.db2.gz GTCJGIQWAUETED-NEPJUHHUSA-N 1 0 397.317 1.868 20 0 GDADRO CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NCC[NH+]1CCSCC1 ZINC000772086521 654555561 /nfs/dbraw/zinc/55/55/61/654555561.db2.gz WVXSRTBKMSQJSP-CQSZACIVSA-N 1 0 389.587 1.894 20 0 GDADRO C[C@H]1CSCCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000672634732 654561740 /nfs/dbraw/zinc/56/17/40/654561740.db2.gz FYBIXCIOKVNPAZ-HNNXBMFYSA-N 1 0 385.599 1.818 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000672660350 654561768 /nfs/dbraw/zinc/56/17/68/654561768.db2.gz RZCDUPBMNJJHQM-OAHLLOKOSA-N 1 0 394.313 1.807 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000672693761 654562376 /nfs/dbraw/zinc/56/23/76/654562376.db2.gz ZNHTXOLBCVQVFK-SNVBAGLBSA-N 1 0 378.420 1.769 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000735501554 654564013 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GDADRO CS(=O)(=O)CCCCCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000773708654 654601105 /nfs/dbraw/zinc/60/11/05/654601105.db2.gz VFCJHRNOLZNEQU-MRXNPFEDSA-N 1 0 375.535 1.144 20 0 GDADRO COCCC[N@H+](C)CCNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736981454 654607966 /nfs/dbraw/zinc/60/79/66/654607966.db2.gz KZWXRMQZKUTDGT-UHFFFAOYSA-N 1 0 383.909 1.775 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000675243070 654611205 /nfs/dbraw/zinc/61/12/05/654611205.db2.gz JYACCVSZBQFTGH-AWEZNQCLSA-N 1 0 399.308 1.902 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000675495177 654617179 /nfs/dbraw/zinc/61/71/79/654617179.db2.gz BTKIFSCLSYPPAJ-LBPRGKRZSA-N 1 0 388.921 1.388 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000774250571 654619512 /nfs/dbraw/zinc/61/95/12/654619512.db2.gz HIRCDRKHMXMCMR-VWLOTQADSA-N 1 0 379.404 1.709 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c(Br)n1 ZINC000774253613 654619772 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1 0 381.951 1.408 20 0 GDADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CC2(CS(C)(=O)=O)CC2)CC1 ZINC000676953113 654658343 /nfs/dbraw/zinc/65/83/43/654658343.db2.gz GFMNDWOHQKHVNB-CQSZACIVSA-N 1 0 380.576 1.193 20 0 GDADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000677540644 654670606 /nfs/dbraw/zinc/67/06/06/654670606.db2.gz FJJLYQLNZJXEJY-OAGGEKHMSA-N 1 0 395.297 1.983 20 0 GDADRO COCC1(N(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000677725189 654674104 /nfs/dbraw/zinc/67/41/04/654674104.db2.gz CTIGAHBYLYOQDJ-UHFFFAOYSA-N 1 0 389.905 1.640 20 0 GDADRO NS(=O)(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000740875989 654675202 /nfs/dbraw/zinc/67/52/02/654675202.db2.gz LMWPSKMSXPEFJZ-UHFFFAOYSA-N 1 0 390.303 1.388 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC000775888020 654676586 /nfs/dbraw/zinc/67/65/86/654676586.db2.gz KYFTUNDZNFOIPQ-UHFFFAOYSA-N 1 0 377.246 1.417 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000678611386 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GDADRO CC(C)c1cc(NC[C@@H](C)S(C)(=O)=O)nc(NC[C@@H](C)S(C)(=O)=O)[nH+]1 ZINC000682918357 654764752 /nfs/dbraw/zinc/76/47/52/654764752.db2.gz QEIKGBDFKLNZLV-VXGBXAGGSA-N 1 0 392.547 1.290 20 0 GDADRO O[C@@H](C[NH+]1CCC(O)(CN2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000779605348 654764783 /nfs/dbraw/zinc/76/47/83/654764783.db2.gz XYCNSIPJVRWHBF-KRWDZBQOSA-N 1 0 399.329 1.642 20 0 GDADRO CC(C)N1C(=O)C[C@@H]([NH2+]CCCS(N)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000683146902 654768655 /nfs/dbraw/zinc/76/86/55/654768655.db2.gz QVUTVJXQBGMIFO-ZBFHGGJFSA-N 1 0 391.896 1.798 20 0 GDADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000683617199 654780052 /nfs/dbraw/zinc/78/00/52/654780052.db2.gz AUECPZFONUPOCH-CQSZACIVSA-N 1 0 398.301 1.806 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000780196102 654780117 /nfs/dbraw/zinc/78/01/17/654780117.db2.gz XYEMEETZHNXBQZ-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO O=C(CN1C(=S)N=NC1c1cccs1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747325301 654782639 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CC(C)(C)OC(=O)N1CCC([NH2+]CCS(=O)(=O)NCC2CCC2)CC1 ZINC000749132499 654823118 /nfs/dbraw/zinc/82/31/18/654823118.db2.gz QERDJBXVZXUBAK-UHFFFAOYSA-N 1 0 375.535 1.695 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000685636903 654824045 /nfs/dbraw/zinc/82/40/45/654824045.db2.gz LKMBOKXLJRIXCG-NSHDSACASA-N 1 0 379.404 1.194 20 0 GDADRO COC[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1 ZINC000685646617 654824393 /nfs/dbraw/zinc/82/43/93/654824393.db2.gz FFOKRZAHWHIDHD-MRXNPFEDSA-N 1 0 375.922 1.194 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC000749373911 654831028 /nfs/dbraw/zinc/83/10/28/654831028.db2.gz TXGVQHSGYWJWGO-UHFFFAOYSA-N 1 0 393.289 1.981 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749390744 654832145 /nfs/dbraw/zinc/83/21/45/654832145.db2.gz YHGHCNZBEPNLKQ-NSHDSACASA-N 1 0 381.278 1.885 20 0 GDADRO O=C(C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1)Nc1cccc(I)c1 ZINC000712273761 654835265 /nfs/dbraw/zinc/83/52/65/654835265.db2.gz DVALKOOQIYWVEB-DDTOSNHZSA-N 1 0 386.233 1.932 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000749534434 654835748 /nfs/dbraw/zinc/83/57/48/654835748.db2.gz IQUWXVAOBOGLRU-VDBVYFBLSA-N 1 0 378.420 1.681 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC[NH2+][C@H]2CCCSC2)C1 ZINC000721727438 654838826 /nfs/dbraw/zinc/83/88/26/654838826.db2.gz UTSSBZIUDMSWNQ-UONOGXRCSA-N 1 0 378.560 1.896 20 0 GDADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000721864918 654840186 /nfs/dbraw/zinc/84/01/86/654840186.db2.gz JDMMOQXSLNZPRI-GMSGAONNSA-N 1 0 383.695 1.997 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCC2CC[NH+](C)CC2)ccc1Cl ZINC000725727974 654841847 /nfs/dbraw/zinc/84/18/47/654841847.db2.gz CDFJHZSCVWMDQS-UHFFFAOYSA-N 1 0 389.905 1.594 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCc1cnn(C)c1 ZINC000726797813 654858340 /nfs/dbraw/zinc/85/83/40/654858340.db2.gz YUNHEBLXKLMWPP-CQSZACIVSA-N 1 0 385.921 1.660 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000726869419 654859597 /nfs/dbraw/zinc/85/95/97/654859597.db2.gz INDABQYZKDTYMG-INDWDQIESA-N 1 0 385.917 1.818 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000783917470 654873711 /nfs/dbraw/zinc/87/37/11/654873711.db2.gz AIHSMBRFZCTVEW-LLVKDONJSA-N 1 0 394.269 1.646 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000728188577 654886106 /nfs/dbraw/zinc/88/61/06/654886106.db2.gz SVMCZZSSNZGYGV-WDEREUQCSA-N 1 0 377.388 1.732 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)C1 ZINC000800541718 654887433 /nfs/dbraw/zinc/88/74/33/654887433.db2.gz REMYFROWXXDKNG-CRWXNKLISA-N 1 0 382.473 1.661 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)C1 ZINC000800541998 654887496 /nfs/dbraw/zinc/88/74/96/654887496.db2.gz YIYDHFSIHJFMNV-ILXRZTDVSA-N 1 0 375.535 1.693 20 0 GDADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc[nH]c(=O)c1Br ZINC000829241713 654894891 /nfs/dbraw/zinc/89/48/91/654894891.db2.gz HQHFHKRZCWAMOS-UHFFFAOYSA-N 1 0 384.274 1.734 20 0 GDADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCn1cc(Br)cn1 ZINC000829279779 654895562 /nfs/dbraw/zinc/89/55/62/654895562.db2.gz AMGKRJIVZCUDNN-UHFFFAOYSA-N 1 0 385.306 1.607 20 0 GDADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc(S(N)(=O)=O)oc1Cl ZINC000829483618 654901190 /nfs/dbraw/zinc/90/11/90/654901190.db2.gz CIWBXZXLMLLZKQ-UHFFFAOYSA-N 1 0 377.894 1.919 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000829518379 654902742 /nfs/dbraw/zinc/90/27/42/654902742.db2.gz XXFZOVQZZSBFJO-VWLOTQADSA-N 1 0 375.535 1.155 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729493210 654911140 /nfs/dbraw/zinc/91/11/40/654911140.db2.gz SWMHGMHBXJMMKR-UHFFFAOYSA-N 1 0 376.910 1.305 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000801171812 654911741 /nfs/dbraw/zinc/91/17/41/654911741.db2.gz JVYLRHYQKJCCOB-CYBMUJFWSA-N 1 0 385.306 1.818 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000785433001 654917467 /nfs/dbraw/zinc/91/74/67/654917467.db2.gz ANBYXQHMSOFIDP-JTQLQIEISA-N 1 0 387.303 1.942 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000785445940 654917842 /nfs/dbraw/zinc/91/78/42/654917842.db2.gz NOTGKPRLFFKRGU-INIZCTEOSA-N 1 0 392.257 1.527 20 0 GDADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000752045922 654919104 /nfs/dbraw/zinc/91/91/04/654919104.db2.gz ZZDYLJFVUPNNQR-INIZCTEOSA-N 1 0 387.889 1.488 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1(n2cc(Br)cn2)CC1 ZINC000830023057 654926092 /nfs/dbraw/zinc/92/60/92/654926092.db2.gz NIEMWTJTMYQFJA-CHWSQXEVSA-N 1 0 385.331 1.831 20 0 GDADRO CN(C[C@H]1CC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1)C(=O)OC(C)(C)C ZINC000801515857 654926254 /nfs/dbraw/zinc/92/62/54/654926254.db2.gz JJKGKBMOPQNSQO-CABCVRRESA-N 1 0 375.535 1.457 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C[C@H]1CCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000801518441 654926337 /nfs/dbraw/zinc/92/63/37/654926337.db2.gz IKEZPZNGOSCRKI-CABCVRRESA-N 1 0 375.535 1.599 20 0 GDADRO COC(=O)c1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c(Br)c1 ZINC000785851459 654926859 /nfs/dbraw/zinc/92/68/59/654926859.db2.gz ZKOIPDSGZPPVCL-HNNXBMFYSA-N 1 0 396.285 1.242 20 0 GDADRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801525793 654926860 /nfs/dbraw/zinc/92/68/60/654926860.db2.gz ZSCZJTACELQIAT-QLFBSQMISA-N 1 0 375.535 1.503 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CCC(S(N)(=O)=O)CC2)C1 ZINC000801936290 654935979 /nfs/dbraw/zinc/93/59/79/654935979.db2.gz RLGLONPBZGYYBF-AWEZNQCLSA-N 1 0 375.535 1.777 20 0 GDADRO CNS(=O)(=O)[C@H]1CC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801933515 654935980 /nfs/dbraw/zinc/93/59/80/654935980.db2.gz BUIWCUCRLUXRRT-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731041838 654941835 /nfs/dbraw/zinc/94/18/35/654941835.db2.gz ZLRXSXDGIJPJJV-HUUCEWRRSA-N 1 0 386.949 1.778 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C ZINC000753085564 654942311 /nfs/dbraw/zinc/94/23/11/654942311.db2.gz MDSZLCRIRYJYDJ-KGLIPLIRSA-N 1 0 375.535 1.505 20 0 GDADRO COc1cc(Br)cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000830422567 654944656 /nfs/dbraw/zinc/94/46/56/654944656.db2.gz XVLUMYZPUGJIAV-CYBMUJFWSA-N 1 0 398.301 1.484 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc(Br)n[nH]3)CC2)CC1 ZINC000830653611 654953063 /nfs/dbraw/zinc/95/30/63/654953063.db2.gz XDJBQAFYPRYHHH-UHFFFAOYSA-N 1 0 384.322 1.803 20 0 GDADRO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000787349567 654964092 /nfs/dbraw/zinc/96/40/92/654964092.db2.gz ZSLDMKJHHXGPRG-CYBMUJFWSA-N 1 0 383.436 1.291 20 0 GDADRO CC[C@H](C(=O)NCc1c(I)cnn1C)[NH+](CC)CC ZINC000831079415 654970204 /nfs/dbraw/zinc/97/02/04/654970204.db2.gz PGCOPLJCZMEIEL-LLVKDONJSA-N 1 0 378.258 1.761 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)cn1 ZINC000754417876 654971918 /nfs/dbraw/zinc/97/19/18/654971918.db2.gz SISFLHFAWGPWOT-UHFFFAOYSA-N 1 0 389.840 1.137 20 0 GDADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCN(c3nc(N)ns3)CC2)cc(Cl)n1 ZINC000831151326 654974297 /nfs/dbraw/zinc/97/42/97/654974297.db2.gz VIGCGTZBAJSDIS-NSHDSACASA-N 1 0 381.893 1.216 20 0 GDADRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CC1 ZINC000754537118 654974464 /nfs/dbraw/zinc/97/44/64/654974464.db2.gz FMFCUCXGDLYQDU-ZDUSSCGKSA-N 1 0 388.873 1.613 20 0 GDADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787890992 654974779 /nfs/dbraw/zinc/97/47/79/654974779.db2.gz DJXDGXXEKGCXTL-RYUDHWBXSA-N 1 0 386.279 1.589 20 0 GDADRO CC[NH+](CC)CCN(C(=O)C1CC2(CC2(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000831216639 654976847 /nfs/dbraw/zinc/97/68/47/654976847.db2.gz LAQYGNZALCUIPS-NPCAHTBFSA-N 1 0 378.485 1.779 20 0 GDADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)s1 ZINC000754670631 654976903 /nfs/dbraw/zinc/97/69/03/654976903.db2.gz 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C[NH+](C)[C@@]1(CNC(=O)c2cccnc2I)CCSC1 ZINC000758310042 655056687 /nfs/dbraw/zinc/05/66/87/655056687.db2.gz JCMZSYLSMOBHOO-CYBMUJFWSA-N 1 0 391.278 1.853 20 0 GDADRO CS[C@H]1CN(C(=O)c2cccnc2I)C[C@H]1[NH+](C)C ZINC000758407608 655058796 /nfs/dbraw/zinc/05/87/96/655058796.db2.gz JBSYZEFAIFNRBP-MNOVXSKESA-N 1 0 391.278 1.804 20 0 GDADRO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@H](C)C[NH3+] ZINC000834341362 655063917 /nfs/dbraw/zinc/06/39/17/655063917.db2.gz RVYBUGCWJLQWFF-ASVHUPRUSA-N 1 0 385.555 1.409 20 0 GDADRO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000834453451 655068420 /nfs/dbraw/zinc/06/84/20/655068420.db2.gz SDALJUZPAUAZCW-JJPUIBJASA-N 1 0 385.555 1.552 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000834457223 655068577 /nfs/dbraw/zinc/06/85/77/655068577.db2.gz NUWYQJKUENUMOK-SECBINFHSA-N 1 0 390.303 1.357 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000834722834 655076791 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20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000808221139 655101165 /nfs/dbraw/zinc/10/11/65/655101165.db2.gz DMMOJDPGTMGPHG-CQSZACIVSA-N 1 0 376.425 1.011 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)nc1Br ZINC000792981201 655104147 /nfs/dbraw/zinc/10/41/47/655104147.db2.gz DNTSMAJLKZLUBI-UHFFFAOYSA-N 1 0 378.230 1.136 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)nc1Br ZINC000792987446 655104603 /nfs/dbraw/zinc/10/46/03/655104603.db2.gz XAAJNMQEDMEULA-UHFFFAOYSA-N 1 0 399.289 1.318 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000835477610 655105640 /nfs/dbraw/zinc/10/56/40/655105640.db2.gz XAYYMEIBUFSTPG-GFCCVEGCSA-N 1 0 399.289 1.054 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000835488804 655105938 /nfs/dbraw/zinc/10/59/38/655105938.db2.gz GFRQTRWXVPSSSV-LBPRGKRZSA-N 1 0 399.289 1.054 20 0 GDADRO CN(CCCNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O)CC[NH+](C)C ZINC000808334205 655106873 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GDADRO COc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)nc1I ZINC000761153803 655135216 /nfs/dbraw/zinc/13/52/16/655135216.db2.gz DIYUXKKCHUALSK-JTQLQIEISA-N 1 0 389.237 1.909 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1ccc(Br)cc1F)C1=CC[N@H+](C)CC1 ZINC000809707663 655135704 /nfs/dbraw/zinc/13/57/04/655135704.db2.gz KWUFCCUIEKPNPH-LLVKDONJSA-N 1 0 398.276 1.971 20 0 GDADRO CCNS(=O)(=O)CCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000836293289 655138425 /nfs/dbraw/zinc/13/84/25/655138425.db2.gz SBGJTKIQULVQPP-UHFFFAOYSA-N 1 0 376.567 1.468 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)C1CCOCC1 ZINC000836300800 655139049 /nfs/dbraw/zinc/13/90/49/655139049.db2.gz UFNXJKLXGISERX-OAHLLOKOSA-N 1 0 375.535 1.144 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](O)c1ccccc1Br ZINC000836351726 655141045 /nfs/dbraw/zinc/14/10/45/655141045.db2.gz UJMKATYGRWVJBD-CJNGLKHVSA-N 1 0 399.333 1.418 20 0 GDADRO COc1nc(Br)ccc1NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000836559145 655147002 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383.539 1.660 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000837239115 655172342 /nfs/dbraw/zinc/17/23/42/655172342.db2.gz JSSWUOHSFOPCCW-UHFFFAOYSA-N 1 0 377.304 1.923 20 0 GDADRO Cn1nc(Br)cc1C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810771872 655173053 /nfs/dbraw/zinc/17/30/53/655173053.db2.gz SUBTXCSSJKACJG-SECBINFHSA-N 1 0 381.234 1.381 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)c(F)cc1Cl ZINC000795869065 655192288 /nfs/dbraw/zinc/19/22/88/655192288.db2.gz VVPXKDRYTNBSBM-JTQLQIEISA-N 1 0 378.853 1.886 20 0 GDADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)N1CCN(C(=O)OCC)CC1 ZINC000763618605 655197873 /nfs/dbraw/zinc/19/78/73/655197873.db2.gz CXIOHESBIZNTDS-UHFFFAOYSA-N 1 0 378.539 1.059 20 0 GDADRO CC(C)(C)OC(=O)NCC1CCC([NH2+]CC2CN(S(C)(=O)=O)C2)CC1 ZINC000796354036 655210791 /nfs/dbraw/zinc/21/07/91/655210791.db2.gz TYRXJIRVBOVXCD-UHFFFAOYSA-N 1 0 375.535 1.551 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cn4cc(Br)cn4)on3)C[C@@H]2C1 ZINC000812341186 655211780 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O=C(Nc1ccc(Br)nc1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841226786 655315789 /nfs/dbraw/zinc/31/57/89/655315789.db2.gz UOTGJFAFQOJBOK-UHFFFAOYSA-N 1 0 381.274 1.775 20 0 GDADRO [NH3+]CC[C@H](NC(=O)NCCS(=O)(=O)CCc1ccccc1)C(F)(F)F ZINC000841332280 655319089 /nfs/dbraw/zinc/31/90/89/655319089.db2.gz CPLSPJOEBZJZSO-ZDUSSCGKSA-N 1 0 381.420 1.223 20 0 GDADRO O=C(CNC(=O)c1cccnc1Br)NCC[NH+]1CCCCCC1 ZINC000816746149 655335229 /nfs/dbraw/zinc/33/52/29/655335229.db2.gz KVQBBYBJJIEQHI-UHFFFAOYSA-N 1 0 383.290 1.566 20 0 GDADRO C[C@@H]1C[C@@H](C)[N@H+](CCS(=O)(=O)N(C)C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817292933 655349432 /nfs/dbraw/zinc/34/94/32/655349432.db2.gz NRKYPHTWSRPPGT-KFWWJZLASA-N 1 0 377.551 1.749 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000841808453 655353891 /nfs/dbraw/zinc/35/38/91/655353891.db2.gz LSSQAQXQOMFEJO-NSHDSACASA-N 1 0 388.456 1.365 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000841808391 655353917 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C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cnc(Cl)c(C(F)(F)F)c3)C[C@@H]21 ZINC000842211492 655358914 /nfs/dbraw/zinc/35/89/14/655358914.db2.gz AQMFKSIVOLGQCU-KCJUWKMLSA-N 1 0 376.766 1.855 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Br)cc2F)[C@@H](C)C[NH2+]1 ZINC000842217450 655359475 /nfs/dbraw/zinc/35/94/75/655359475.db2.gz XPOUVUMGKDSMAS-MNOVXSKESA-N 1 0 386.265 1.456 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000817944793 655362789 /nfs/dbraw/zinc/36/27/89/655362789.db2.gz MFEMDZOHSRWHHF-CQSZACIVSA-N 1 0 384.274 1.027 20 0 GDADRO COc1cc([C@@H](C)NC[C@@H]2C[NH2+]CCCO2)ccc1S(=O)(=O)C(F)F ZINC000817979861 655363211 /nfs/dbraw/zinc/36/32/11/655363211.db2.gz FKXBPVYVMBCSDQ-YPMHNXCESA-N 1 0 378.441 1.721 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000817989401 655363465 /nfs/dbraw/zinc/36/34/65/655363465.db2.gz NEAYNFYEERMFCB-WFASDCNBSA-N 1 0 398.301 1.151 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000817993138 655363766 /nfs/dbraw/zinc/36/37/66/655363766.db2.gz ZWFXOTPXXKHBTI-SWLSCSKDSA-N 1 0 398.301 1.009 20 0 GDADRO C[C@@H](CC(=O)N[C@@H](C[NH3+])C1CCCC1)NS(=O)(=O)c1cccnc1Cl ZINC000818001713 655364168 /nfs/dbraw/zinc/36/41/68/655364168.db2.gz NUOHYKTWBROQGT-AAEUAGOBSA-N 1 0 388.921 1.426 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC000818007871 655364295 /nfs/dbraw/zinc/36/42/95/655364295.db2.gz BOCUJQBJAZUVBY-AAEUAGOBSA-N 1 0 389.905 1.579 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)NS(=O)(=O)c1cccnc1Cl ZINC000818009428 655364461 /nfs/dbraw/zinc/36/44/61/655364461.db2.gz RLYWFJASPJLTFG-YNEHKIRRSA-N 1 0 388.921 1.235 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016741 655364745 /nfs/dbraw/zinc/36/47/45/655364745.db2.gz OOFMWZLFCFQDFA-OAHLLOKOSA-N 1 0 387.299 1.577 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000842481158 655367062 /nfs/dbraw/zinc/36/70/62/655367062.db2.gz FPPBIPOSWARDRP-UHFFFAOYSA-N 1 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CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000818357573 655373132 /nfs/dbraw/zinc/37/31/32/655373132.db2.gz APPIKZBTXPDKLD-HUUCEWRRSA-N 1 0 375.535 1.836 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)[C@@H]1C[NH3+] ZINC000842721448 655373523 /nfs/dbraw/zinc/37/35/23/655373523.db2.gz HHQPONLWSQSHBL-GHMZBOCLSA-N 1 0 382.454 1.431 20 0 GDADRO O=C(NC[C@H]1CCCN(S(=O)(=O)c2cccnc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000842748328 655375129 /nfs/dbraw/zinc/37/51/29/655375129.db2.gz BFKHVOLJSXSJMP-OLZOCXBDSA-N 1 0 386.905 1.004 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000842762192 655375527 /nfs/dbraw/zinc/37/55/27/655375527.db2.gz BUFHYWVJPDBCRV-CYBMUJFWSA-N 1 0 398.428 1.354 20 0 GDADRO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000842766616 655375884 /nfs/dbraw/zinc/37/58/84/655375884.db2.gz UUWVFJRWAZBGCB-LBPRGKRZSA-N 1 0 380.695 1.872 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1Br ZINC000818563366 655376368 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379.262 1.845 20 0 GDADRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000842802956 655378278 /nfs/dbraw/zinc/37/82/78/655378278.db2.gz FLNZZKHVFZFARQ-ABAIWWIYSA-N 1 0 394.946 1.929 20 0 GDADRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000842803097 655378283 /nfs/dbraw/zinc/37/82/83/655378283.db2.gz GHHGHZIQKOLLNV-XHDPSFHLSA-N 1 0 378.491 1.415 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)C[C@H]1[NH3+] ZINC000842806431 655378520 /nfs/dbraw/zinc/37/85/20/655378520.db2.gz NUGONVIFSOOSKK-VXNVDRBHSA-N 1 0 393.694 1.718 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)s1 ZINC000842832994 655380175 /nfs/dbraw/zinc/38/01/75/655380175.db2.gz XFPUSFCKIFHYKL-MRVPVSSYSA-N 1 0 397.316 1.718 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000842833378 655380262 /nfs/dbraw/zinc/38/02/62/655380262.db2.gz KPTPWKHYLDYUFC-GZMMTYOYSA-N 1 0 381.267 1.873 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 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398.428 1.401 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842883322 655382489 /nfs/dbraw/zinc/38/24/89/655382489.db2.gz VXVURUXCXQDOEN-BQBZGAKWSA-N 1 0 381.683 1.764 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000818976583 655382676 /nfs/dbraw/zinc/38/26/76/655382676.db2.gz JZUQZPAGMZXDCA-BXUZGUMPSA-N 1 0 377.304 1.496 20 0 GDADRO CS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000818990639 655382932 /nfs/dbraw/zinc/38/29/32/655382932.db2.gz KXOVJRHYPYUNAI-OAHLLOKOSA-N 1 0 391.331 1.744 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCCCCCC[NH3+] ZINC000842917653 655384073 /nfs/dbraw/zinc/38/40/73/655384073.db2.gz XJNIVOJJWSKAJO-UHFFFAOYSA-N 1 0 391.921 1.848 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cc(F)ccc1F)NC[C@H]1CCCCO1 ZINC000819054935 655384277 /nfs/dbraw/zinc/38/42/77/655384277.db2.gz QDNIRTATDWLBJV-CJNGLKHVSA-N 1 0 378.441 1.076 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000819062073 655384402 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C[C@]1(CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@]1(F)Cl ZINC000844987797 655421939 /nfs/dbraw/zinc/42/19/39/655421939.db2.gz DKUWDDOQCFNXJV-PVAVHDDUSA-N 1 0 376.904 1.397 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000845418031 655428818 /nfs/dbraw/zinc/42/88/18/655428818.db2.gz VUIUFBUJWNMPHV-DLBZAZTESA-N 1 0 376.904 1.887 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)[C@@]1(C)CC1(Br)Br ZINC000821883756 655436474 /nfs/dbraw/zinc/43/64/74/655436474.db2.gz JNNUDNONUHSDOZ-LLVKDONJSA-N 1 0 386.128 1.967 20 0 GDADRO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cnc1Br ZINC000821952261 655437721 /nfs/dbraw/zinc/43/77/21/655437721.db2.gz HIVKTBGPGVQPCV-AWEZNQCLSA-N 1 0 395.301 1.579 20 0 GDADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000845958122 655440195 /nfs/dbraw/zinc/44/01/95/655440195.db2.gz WMCXJGYYNYFQER-UHFFFAOYSA-N 1 0 398.497 1.939 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000846033893 655445815 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C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000846338456 655452425 /nfs/dbraw/zinc/45/24/25/655452425.db2.gz SRFODUWFXOBZES-BZUAXINKSA-N 1 0 379.551 1.518 20 0 GDADRO COc1cc(Br)c(Cc2noc(C[C@@H]3COCC[NH2+]3)n2)cc1OC ZINC000822910836 655453646 /nfs/dbraw/zinc/45/36/46/655453646.db2.gz QWIQCYZKZJKSLZ-LLVKDONJSA-N 1 0 398.257 1.971 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Br)cn2ncnc12 ZINC000822998046 655454907 /nfs/dbraw/zinc/45/49/07/655454907.db2.gz CWPOACJMNRAKCU-LBPRGKRZSA-N 1 0 382.262 1.068 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cnn2cccc(Br)c12 ZINC000822998416 655454954 /nfs/dbraw/zinc/45/49/54/655454954.db2.gz LAUQVMQMNXXCKO-LBPRGKRZSA-N 1 0 381.274 1.673 20 0 GDADRO O=C(N1CCO[C@@H](c2ccccc2Br)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846671150 655458605 /nfs/dbraw/zinc/45/86/05/655458605.db2.gz YXLLGLGORHZFKE-MJEQTWJJSA-N 1 0 381.270 1.585 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([NH2+]CCOC)CC2)c1 ZINC000846686314 655458802 /nfs/dbraw/zinc/45/88/02/655458802.db2.gz FFVAYGGJCMLSJT-UHFFFAOYSA-N 1 0 389.905 1.089 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000846690741 655458823 /nfs/dbraw/zinc/45/88/23/655458823.db2.gz ACZOPFSOEFJLAQ-UHFFFAOYSA-N 1 0 389.905 1.124 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCCC2CC[NH2+]CC2)ccc1Cl ZINC000846700093 655459016 /nfs/dbraw/zinc/45/90/16/655459016.db2.gz PLLLHPBFOZCIOO-UHFFFAOYSA-N 1 0 389.905 1.641 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000846737464 655460022 /nfs/dbraw/zinc/46/00/22/655460022.db2.gz ODHQPUSAKXUHSE-IAGOWNOFSA-N 1 0 377.888 1.424 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN(C)C[C@@H](O)c1ccccc1Br ZINC000846985282 655464095 /nfs/dbraw/zinc/46/40/95/655464095.db2.gz RYJJUYNMESPWAC-XJKSGUPXSA-N 1 0 375.307 1.353 20 0 GDADRO CC[S@@](=O)CC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000823871695 655469039 /nfs/dbraw/zinc/46/90/39/655469039.db2.gz MUKGVDWNGIWLMD-RKFFSXRUSA-N 1 0 391.331 1.821 20 0 GDADRO CCN1CCC([NH+]2CCC(C(=O)Nn3cc(Br)cn3)CC2)CC1 ZINC000847604506 655472991 /nfs/dbraw/zinc/47/29/91/655472991.db2.gz MUSIWJJOPKDHAY-UHFFFAOYSA-N 1 0 384.322 1.912 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000848024925 655480516 /nfs/dbraw/zinc/48/05/16/655480516.db2.gz LPXHSZILPPLVLG-HOCLYGCPSA-N 1 0 385.302 1.962 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Br)cn2ncnc12 ZINC000824958291 655482761 /nfs/dbraw/zinc/48/27/61/655482761.db2.gz UZGMMYZDMOMKOT-UHFFFAOYSA-N 1 0 383.294 1.105 20 0 GDADRO C[C@@H]1CN(c2ccc(Br)cc2-c2nn[nH]n2)C[C@H]1[NH+]1CCOCC1 ZINC000824994115 655483246 /nfs/dbraw/zinc/48/32/46/655483246.db2.gz SYAVRDQHSJSZOI-IAQYHMDHSA-N 1 0 393.289 1.786 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000825189305 655485416 /nfs/dbraw/zinc/48/54/16/655485416.db2.gz ZZBWHYMHCDHEOH-JSGCOSHPSA-N 1 0 385.917 1.982 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)ccc1Cl ZINC000825256879 655486835 /nfs/dbraw/zinc/48/68/35/655486835.db2.gz KRFVAFQCXOKWOE-ZDUSSCGKSA-N 1 0 375.878 1.392 20 0 GDADRO [NH3+][C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000825692525 655492709 /nfs/dbraw/zinc/49/27/09/655492709.db2.gz DWLNRUYSHWCQFH-NSHDSACASA-N 1 0 377.919 1.362 20 0 GDADRO [NH3+]CCCC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000825796080 655493739 /nfs/dbraw/zinc/49/37/39/655493739.db2.gz UVKPVZAEHDRYNB-UHFFFAOYSA-N 1 0 379.404 1.277 20 0 GDADRO CC[N@H+](CCNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 ZINC000825900926 655494640 /nfs/dbraw/zinc/49/46/40/655494640.db2.gz SRGCHJAXJOJBOX-UHFFFAOYSA-N 1 0 390.303 1.311 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848655382 655498320 /nfs/dbraw/zinc/49/83/20/655498320.db2.gz ARJSYQMMHJLXIN-HZPDHXFCSA-N 1 0 382.555 1.315 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=S)NCC(C)(C)C[NH+](C)C ZINC000848654568 655498389 /nfs/dbraw/zinc/49/83/89/655498389.db2.gz WJRAYVGGKWDVLT-VXGBXAGGSA-N 1 0 382.496 1.980 20 0 GDADRO O=C(c1cc(Br)cn2ncnc12)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000826564417 655498881 /nfs/dbraw/zinc/49/88/81/655498881.db2.gz PJTAERLUBYODGT-CYBMUJFWSA-N 1 0 394.273 1.163 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cnn(C(C)(C)C)c1Br ZINC000826713587 655500391 /nfs/dbraw/zinc/50/03/91/655500391.db2.gz VHERXMQOSOGNLV-LBPRGKRZSA-N 1 0 386.338 1.766 20 0 GDADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000848937131 655502300 /nfs/dbraw/zinc/50/23/00/655502300.db2.gz LDBVXEDZWQPNGK-QLFBSQMISA-N 1 0 385.599 1.815 20 0 GDADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc(Cl)n1 ZINC000827032608 655504544 /nfs/dbraw/zinc/50/45/44/655504544.db2.gz HJELDZRPQUASKB-TZMCWYRMSA-N 1 0 388.921 1.221 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Br)cc3-n3cnnn3)CC[C@H]21 ZINC000827221245 655507916 /nfs/dbraw/zinc/50/79/16/655507916.db2.gz WCEYESBFMXAYEG-BXUZGUMPSA-N 1 0 391.273 1.591 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(F)(F)c1ccc(Br)cc1 ZINC000827236808 655508098 /nfs/dbraw/zinc/50/80/98/655508098.db2.gz HDTVPBDUFUSJIK-ZDUSSCGKSA-N 1 0 376.245 1.903 20 0 GDADRO Cn1c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc2cc(Br)cnc21 ZINC000827837076 655517174 /nfs/dbraw/zinc/51/71/74/655517174.db2.gz QPCIHMZKHONTHB-ZDUSSCGKSA-N 1 0 395.301 1.911 20 0 GDADRO C[C@H]1CN(C(=[NH2+])NC[C@H](CO)Cc2ccc(F)c(Br)c2)CCO1 ZINC000849116775 655517580 /nfs/dbraw/zinc/51/75/80/655517580.db2.gz NPXBUSSTXWKMNE-WCQYABFASA-N 1 0 388.281 1.984 20 0 GDADRO Cc1nc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)n1C ZINC000849420095 655531416 /nfs/dbraw/zinc/53/14/16/655531416.db2.gz QSGLCANNLIUYOA-JTQLQIEISA-N 1 0 379.324 1.642 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccncc2Br)cn1 ZINC000849567723 655542404 /nfs/dbraw/zinc/54/24/04/655542404.db2.gz IWXVICLMIOOSNO-OLZOCXBDSA-N 1 0 378.274 1.674 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850376827 655553686 /nfs/dbraw/zinc/55/36/86/655553686.db2.gz YPWUIELMRZZJNR-UHFFFAOYSA-N 1 0 384.893 1.594 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)n1 ZINC000850417197 655554715 /nfs/dbraw/zinc/55/47/15/655554715.db2.gz PDGSESNBGRAVJL-UHFFFAOYSA-N 1 0 382.877 1.300 20 0 GDADRO C[C@H]([NH2+][C@H](CO)C1CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850490185 655556412 /nfs/dbraw/zinc/55/64/12/655556412.db2.gz WMRKDMGQZRNFTC-BLLLJJGKSA-N 1 0 390.527 1.224 20 0 GDADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCC2SCCS2)CC1 ZINC000850571637 655558961 /nfs/dbraw/zinc/55/89/61/655558961.db2.gz ZRXUYDBPMCOVJG-UHFFFAOYSA-N 1 0 390.600 1.965 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CCO1 ZINC000850712063 655566401 /nfs/dbraw/zinc/56/64/01/655566401.db2.gz VHBNBEYQWPDXMD-COXVUDFISA-N 1 0 377.888 1.377 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)n1 ZINC000850821709 655568789 /nfs/dbraw/zinc/56/87/89/655568789.db2.gz RFSAGBIJYBODEH-SECBINFHSA-N 1 0 382.877 1.333 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850823669 655568983 /nfs/dbraw/zinc/56/89/83/655568983.db2.gz LYSYZHSKMFVLSU-RKDXNWHRSA-N 1 0 382.877 1.250 20 0 GDADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCn1cnc(Br)n1 ZINC000851720939 655592586 /nfs/dbraw/zinc/59/25/86/655592586.db2.gz WNASNWCOPPTDPU-SNVBAGLBSA-N 1 0 388.291 1.381 20 0 GDADRO CC1(C)OC[C@H](CC[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)O1 ZINC000851771248 655594379 /nfs/dbraw/zinc/59/43/79/655594379.db2.gz ZSVYXXDONZHKHC-ZDUSSCGKSA-N 1 0 388.452 1.816 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc(F)c1F ZINC000851812902 655596203 /nfs/dbraw/zinc/59/62/03/655596203.db2.gz OAHWJCFAAIZYKI-LLVKDONJSA-N 1 0 376.425 1.856 20 0 GDADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000851851930 655599721 /nfs/dbraw/zinc/59/97/21/655599721.db2.gz HSLZNYKOMIXNSO-LLVKDONJSA-N 1 0 380.297 1.608 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCn2ncc(Br)c2C1 ZINC000852064673 655606852 /nfs/dbraw/zinc/60/68/52/655606852.db2.gz DMPMUODXERHNJF-NEPJUHHUSA-N 1 0 384.278 1.034 20 0 GDADRO C[NH+](C)Cc1cc(CNC(=O)NCC[S@](=O)CC(F)(F)F)ccc1F ZINC000852114787 655607904 /nfs/dbraw/zinc/60/79/04/655607904.db2.gz WJKAAAILRMVDNH-VWLOTQADSA-N 1 0 383.411 1.998 20 0 GDADRO C[N@H+](C[C@@H](O)c1ccccc1Br)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852149038 655608779 /nfs/dbraw/zinc/60/87/79/655608779.db2.gz DASCZJNUZPHQAE-AEFFLSMTSA-N 1 0 393.281 1.787 20 0 GDADRO CC(C)(C)OC(=O)CC1([NH2+]CCn2cnc(Br)n2)CCOCC1 ZINC000852180153 655609642 /nfs/dbraw/zinc/60/96/42/655609642.db2.gz IFWMLYQPKGBCHB-UHFFFAOYSA-N 1 0 389.294 1.911 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC000852773037 655622323 /nfs/dbraw/zinc/62/23/23/655622323.db2.gz URMLXYITSVLIAZ-OAHLLOKOSA-N 1 0 396.285 1.581 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)Nc2ccnn2Cc2cccc(Br)c2)=NO1 ZINC000852816366 655623377 /nfs/dbraw/zinc/62/33/77/655623377.db2.gz SDWPAKNSHGWNBC-GFCCVEGCSA-N 1 0 378.230 1.736 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)C=C3CC[NH2+]CC3)CC2)c(C)s1 ZINC000852823310 655623501 /nfs/dbraw/zinc/62/35/01/655623501.db2.gz KTYABDHHFUDTNP-UHFFFAOYSA-N 1 0 383.539 1.508 20 0 GDADRO O=C1OCCN1[C@H]1CC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000853538429 655641931 /nfs/dbraw/zinc/64/19/31/655641931.db2.gz FZPXNDUTDYCMJH-NSHDSACASA-N 1 0 393.241 1.643 20 0 GDADRO CN(CC1C[NH+](C)C1)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000853555355 655642702 /nfs/dbraw/zinc/64/27/02/655642702.db2.gz IZAAXXQKIMXHSU-QGZVFWFLSA-N 1 0 395.301 1.667 20 0 GDADRO CCN1C(=S)N=NC1CCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000854160265 655657624 /nfs/dbraw/zinc/65/76/24/655657624.db2.gz GDABFOVGCUDETP-UHFFFAOYSA-N 1 0 382.559 1.964 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1 ZINC000854309430 655662031 /nfs/dbraw/zinc/66/20/31/655662031.db2.gz NDDYTGQXBTVPMG-VWLOTQADSA-N 1 0 387.468 1.440 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000854353406 655663523 /nfs/dbraw/zinc/66/35/23/655663523.db2.gz YJFVYGNHHHSDJG-HOCLYGCPSA-N 1 0 380.286 1.259 20 0 GDADRO C[C@]1(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)CC1(Br)Br ZINC000854413141 655665995 /nfs/dbraw/zinc/66/59/95/655665995.db2.gz NJDMLUAVCSCIBP-ZYHUDNBSSA-N 1 0 398.139 1.846 20 0 GDADRO Cn1nc(Br)cc1NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000854588826 655670569 /nfs/dbraw/zinc/67/05/69/655670569.db2.gz OAOFNLREJWUJHG-UHFFFAOYSA-N 1 0 379.262 1.582 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000855287982 655691060 /nfs/dbraw/zinc/69/10/60/655691060.db2.gz DMDLPRJGEYHCBE-SECBINFHSA-N 1 0 377.869 1.729 20 0 GDADRO Cn1nnc(Br)c1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000855530081 655696008 /nfs/dbraw/zinc/69/60/08/655696008.db2.gz YGCSFZAKIIGFTO-UHFFFAOYSA-N 1 0 393.289 1.615 20 0 GDADRO CC[C@@H]1CN(C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)C[C@H](C)[NH2+]1 ZINC000856409571 655712910 /nfs/dbraw/zinc/71/29/10/655712910.db2.gz UTDZHYWNZMEXAV-FRRDWIJNSA-N 1 0 388.921 1.391 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2sccc2S(=O)(=O)C(F)F)CCO1 ZINC000856430008 655713161 /nfs/dbraw/zinc/71/31/61/655713161.db2.gz PCDCCVKNWFIVAE-NSHDSACASA-N 1 0 396.481 1.927 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000856729207 655715489 /nfs/dbraw/zinc/71/54/89/655715489.db2.gz HPYDBRQNSMMXNL-LSDHHAIUSA-N 1 0 375.535 1.790 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000856752565 655717212 /nfs/dbraw/zinc/71/72/12/655717212.db2.gz QUJVFGDFQCBXII-GFCCVEGCSA-N 1 0 383.345 1.924 20 0 GDADRO O=C(NCC[C@H]1CC1(Cl)Cl)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000857105463 655727872 /nfs/dbraw/zinc/72/78/72/655727872.db2.gz LMKAWRDECKNWQJ-STQMWFEESA-N 1 0 377.316 1.424 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1nc(Br)cs1 ZINC000857766917 655741395 /nfs/dbraw/zinc/74/13/95/655741395.db2.gz YEWTXRVFMOCTOC-SECBINFHSA-N 1 0 375.292 1.365 20 0 GDADRO Cn1cc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)c(Br)n1 ZINC000858094590 655744284 /nfs/dbraw/zinc/74/42/84/655744284.db2.gz OBUVGIKUUIYRKS-UHFFFAOYSA-N 1 0 394.321 1.275 20 0 GDADRO Cn1cc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)c(Br)n1 ZINC000858105412 655744463 /nfs/dbraw/zinc/74/44/63/655744463.db2.gz GPVQKXHXYVKOEL-GFCCVEGCSA-N 1 0 396.211 1.846 20 0 GDADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000858499150 655748761 /nfs/dbraw/zinc/74/87/61/655748761.db2.gz YYINSGKWDWHKGA-IGQOVBAYSA-N 1 0 382.473 1.804 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c1)C(F)(F)F ZINC000858617804 655750623 /nfs/dbraw/zinc/75/06/23/655750623.db2.gz LKWLABJAFZUULP-GFCCVEGCSA-N 1 0 377.388 1.750 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c(Br)o1 ZINC000858620635 655750757 /nfs/dbraw/zinc/75/07/57/655750757.db2.gz XUOFAKCKAOZORD-JTQLQIEISA-N 1 0 393.259 1.392 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000858626770 655751156 /nfs/dbraw/zinc/75/11/56/655751156.db2.gz KETWESKNZGRNTC-UHFFFAOYSA-N 1 0 386.699 1.354 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(Br)o1 ZINC000858631318 655751400 /nfs/dbraw/zinc/75/14/00/655751400.db2.gz CDHAJEHZBGCZKW-HTQZYQBOSA-N 1 0 381.248 1.248 20 0 GDADRO C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[NH2+]1 ZINC000858631800 655751466 /nfs/dbraw/zinc/75/14/66/655751466.db2.gz IIANOLFZLFRMPC-UWVGGRQHSA-N 1 0 386.417 1.399 20 0 GDADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000858642784 655751914 /nfs/dbraw/zinc/75/19/14/655751914.db2.gz QHDFNYDCZOIRSJ-QMMMGPOBSA-N 1 0 376.276 1.302 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000858643089 655751943 /nfs/dbraw/zinc/75/19/43/655751943.db2.gz WIBAMFOVHOKOFN-JOYOIKCWSA-N 1 0 391.287 1.655 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)nc1F ZINC000859003565 655758997 /nfs/dbraw/zinc/75/89/97/655758997.db2.gz SNGTUSURDIENIO-SNVBAGLBSA-N 1 0 396.282 1.108 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000859166796 655767041 /nfs/dbraw/zinc/76/70/41/655767041.db2.gz MDJOQMQYBHVJPG-GWCFXTLKSA-N 1 0 377.388 1.512 20 0 GDADRO CN(C1CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1)S(C)(=O)=O ZINC000859173788 655767363 /nfs/dbraw/zinc/76/73/63/655767363.db2.gz DHXMWHWWUZKVHG-UHFFFAOYSA-N 1 0 375.535 1.599 20 0 GDADRO NC(=O)c1cn(C2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)nn1 ZINC000859590579 655787719 /nfs/dbraw/zinc/78/77/19/655787719.db2.gz MGRWIRVKMHHRII-OAHLLOKOSA-N 1 0 394.273 1.510 20 0 GDADRO [NH3+]CC1(NC(=O)Nc2cc3c(cc2Br)OCCO3)CCOCC1 ZINC000859621587 655788283 /nfs/dbraw/zinc/78/82/83/655788283.db2.gz YSDASYTZLYDFOI-UHFFFAOYSA-N 1 0 386.246 1.850 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@H]2C[C@@]2(C)Br)C1 ZINC000860117637 655795569 /nfs/dbraw/zinc/79/55/69/655795569.db2.gz WTGIHXYYKXQJJD-DVOMOZLQSA-N 1 0 391.306 1.176 20 0 GDADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000861351187 655819946 /nfs/dbraw/zinc/81/99/46/655819946.db2.gz SPSMRJJZLRZJBJ-SWLSCSKDSA-N 1 0 376.500 1.069 20 0 GDADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861512616 655824173 /nfs/dbraw/zinc/82/41/73/655824173.db2.gz NJCNOSMBOQZMHQ-SNVBAGLBSA-N 1 0 387.665 1.837 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000861539758 655825325 /nfs/dbraw/zinc/82/53/25/655825325.db2.gz GTHJUNGPYYCGAV-LURJTMIESA-N 1 0 397.163 1.314 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000861740265 655829606 /nfs/dbraw/zinc/82/96/06/655829606.db2.gz OVTJSECYBSSKFY-CHWSQXEVSA-N 1 0 397.317 1.197 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000861772331 655830317 /nfs/dbraw/zinc/83/03/17/655830317.db2.gz QRBHTKQQCIXKIC-UONOGXRCSA-N 1 0 386.265 1.504 20 0 GDADRO COc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nc1I ZINC000861911201 655833486 /nfs/dbraw/zinc/83/34/86/655833486.db2.gz MIIOEJRJCWIWAP-GDGBQDQQSA-N 1 0 387.221 1.327 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)nc1Br ZINC000862031373 655836938 /nfs/dbraw/zinc/83/69/38/655836938.db2.gz FORRMPVCRVULCM-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO C[N@@H+]1C[C@H](C(=O)NCCS(=O)(=O)CC(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000862182345 655840697 /nfs/dbraw/zinc/84/06/97/655840697.db2.gz SMPYYEUUCSTJCL-KGLIPLIRSA-N 1 0 378.416 1.425 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862290150 655843991 /nfs/dbraw/zinc/84/39/91/655843991.db2.gz OVMMNDHTDMIQDJ-UKRRQHHQSA-N 1 0 376.519 1.425 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccnc(Cl)c1I ZINC000863320124 655865940 /nfs/dbraw/zinc/86/59/40/655865940.db2.gz JOPNRAAFBINDHT-MRVPVSSYSA-N 1 0 395.628 1.136 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000863753916 655879808 /nfs/dbraw/zinc/87/98/08/655879808.db2.gz LGWNUUBOQAJQNR-SMDDNHRTSA-N 1 0 384.274 1.155 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000863754727 655879881 /nfs/dbraw/zinc/87/98/81/655879881.db2.gz VIDRBGSEKQIUSW-BXUZGUMPSA-N 1 0 384.274 1.155 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000863765343 655880357 /nfs/dbraw/zinc/88/03/57/655880357.db2.gz GRKUCLIYFRUWIA-GFCCVEGCSA-N 1 0 382.302 1.993 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000864837362 655906706 /nfs/dbraw/zinc/90/67/06/655906706.db2.gz HGWNQEHOIAJBQA-UHFFFAOYSA-N 1 0 390.228 1.573 20 0 GDADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000864838467 655906739 /nfs/dbraw/zinc/90/67/39/655906739.db2.gz GTVJXXLVOISUIV-BENRWUELSA-N 1 0 384.274 1.678 20 0 GDADRO CCC[NH+]1CCN(c2ccc(NC(=O)C3CS(=O)(=O)C3)cc2Cl)CC1 ZINC000864991462 655909645 /nfs/dbraw/zinc/90/96/45/655909645.db2.gz GFJYASWJONJWOK-UHFFFAOYSA-N 1 0 385.917 1.855 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000865272112 655915985 /nfs/dbraw/zinc/91/59/85/655915985.db2.gz LJHNLOWYFCGCLW-UHFFFAOYSA-N 1 0 384.571 1.154 20 0 GDADRO Cc1sc2nc(SCC(=O)NC3CC[NH+](C)CC3)n(C)c(=O)c2c1C ZINC000865339829 655917532 /nfs/dbraw/zinc/91/75/32/655917532.db2.gz MHRPYMPGYHOFKM-UHFFFAOYSA-N 1 0 380.539 1.914 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865433986 655919822 /nfs/dbraw/zinc/91/98/22/655919822.db2.gz RYPDGBLDFYGWOQ-UHFFFAOYSA-N 1 0 375.535 1.693 20 0 GDADRO Cc1ccnc(CN[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1Br ZINC000865465462 655920281 /nfs/dbraw/zinc/92/02/81/655920281.db2.gz ALJHQFKULAJFRW-OAHLLOKOSA-N 1 0 383.334 1.649 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC[N@@H+]1C ZINC000865733259 655925246 /nfs/dbraw/zinc/92/52/46/655925246.db2.gz TVCFLLVNEBZMMA-QWHCGFSZSA-N 1 0 385.452 1.395 20 0 GDADRO COc1ccc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)c(Br)c1O ZINC000865770892 655926257 /nfs/dbraw/zinc/92/62/57/655926257.db2.gz VNGVKAYPBNSISV-OAHLLOKOSA-N 1 0 387.230 1.474 20 0 GDADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(I)nn2C)CC[N@@H+]1C ZINC000866049547 655933788 /nfs/dbraw/zinc/93/37/88/655933788.db2.gz PUTNGQIAYGEMAT-VHSXEESVSA-N 1 0 376.242 1.579 20 0 GDADRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866443818 655943720 /nfs/dbraw/zinc/94/37/20/655943720.db2.gz VDSFDXISUJZTTD-FOCJUVANSA-N 1 0 390.527 1.629 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866497084 655947234 /nfs/dbraw/zinc/94/72/34/655947234.db2.gz GTCACQZJPPQPMI-UHFFFAOYSA-N 1 0 393.868 1.428 20 0 GDADRO Cn1cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c(Br)n1 ZINC000866546062 655948669 /nfs/dbraw/zinc/94/86/69/655948669.db2.gz LUEHRVUMDTYLST-UHFFFAOYSA-N 1 0 377.308 1.335 20 0 GDADRO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1sccc1Br ZINC000866554585 655949356 /nfs/dbraw/zinc/94/93/56/655949356.db2.gz IBNUPRZDFYOTMT-HZMBPMFUSA-N 1 0 375.288 1.789 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)c(Br)n1 ZINC000866643815 655952228 /nfs/dbraw/zinc/95/22/28/655952228.db2.gz LLIRUJCHSHTLIR-UHFFFAOYSA-N 1 0 379.324 1.725 20 0 GDADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000866733789 655957354 /nfs/dbraw/zinc/95/73/54/655957354.db2.gz DDWSYQSEQOLRPW-LLVKDONJSA-N 1 0 379.404 1.808 20 0 GDADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC1 ZINC000866738364 655957700 /nfs/dbraw/zinc/95/77/00/655957700.db2.gz RCYOYJKPHJSPEM-SNVBAGLBSA-N 1 0 379.404 1.935 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000866742630 655958022 /nfs/dbraw/zinc/95/80/22/655958022.db2.gz AJKRAZRMOVMADV-SMDDNHRTSA-N 1 0 377.304 1.635 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000866752605 655959125 /nfs/dbraw/zinc/95/91/25/655959125.db2.gz SSQLYXNBETVDPQ-IAGOWNOFSA-N 1 0 388.917 1.404 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000866757834 655959514 /nfs/dbraw/zinc/95/95/14/655959514.db2.gz GWSLTPSGOYHEGO-AWEZNQCLSA-N 1 0 391.896 1.628 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000866759805 655959682 /nfs/dbraw/zinc/95/96/82/655959682.db2.gz DRHFVBWXCCCWJG-MFKMUULPSA-N 1 0 377.304 1.875 20 0 GDADRO O=S(=O)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000866765531 655960419 /nfs/dbraw/zinc/96/04/19/655960419.db2.gz XEEGIHPVRANOAE-CQSZACIVSA-N 1 0 380.901 1.556 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Br ZINC000866766500 655960660 /nfs/dbraw/zinc/96/06/60/655960660.db2.gz UADVGTFNAQUPHI-NWDGAFQWSA-N 1 0 391.335 1.583 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Br)n1 ZINC000866766594 655960667 /nfs/dbraw/zinc/96/06/67/655960667.db2.gz WEDWOYNOAOAPOJ-RYUDHWBXSA-N 1 0 391.335 1.583 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Br ZINC000866766502 655960682 /nfs/dbraw/zinc/96/06/82/655960682.db2.gz UADVGTFNAQUPHI-VXGBXAGGSA-N 1 0 391.335 1.583 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2)C(F)(F)F ZINC000866766807 655960683 /nfs/dbraw/zinc/96/06/83/655960683.db2.gz YQYTZKFIGJLKNL-GFCCVEGCSA-N 1 0 377.388 1.608 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C[C@H]1C[NH3+] ZINC000866774635 655961818 /nfs/dbraw/zinc/96/18/18/655961818.db2.gz OMIZALBZIAIHHY-PSASIEDQSA-N 1 0 376.891 1.329 20 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/nfs/dbraw/zinc/96/58/69/655965869.db2.gz WNUSAHAWHDBEDH-AWEZNQCLSA-N 1 0 387.575 1.582 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2C1 ZINC000866810293 655966111 /nfs/dbraw/zinc/96/61/11/655966111.db2.gz TUYBADPCRVPJQF-YOWGUQMCSA-N 1 0 383.539 1.462 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000866813610 655966415 /nfs/dbraw/zinc/96/64/15/655966415.db2.gz VXJCLRILXTYNFT-JTQLQIEISA-N 1 0 379.404 1.854 20 0 GDADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000866864110 655971667 /nfs/dbraw/zinc/97/16/67/655971667.db2.gz UCSVLKGYHNKPMY-UKRRQHHQSA-N 1 0 375.535 1.598 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(Br)n1 ZINC000866971801 655983205 /nfs/dbraw/zinc/98/32/05/655983205.db2.gz IRNCHTAGHNCZJE-WDEREUQCSA-N 1 0 377.308 1.287 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1nc[nH]c1Br ZINC000866995874 655985581 /nfs/dbraw/zinc/98/55/81/655985581.db2.gz LXGBSPKWBDMIMW-MXWKQRLJSA-N 1 0 393.307 1.044 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)NCCOCC[NH+](C)C)c1 ZINC000867090523 655994306 /nfs/dbraw/zinc/99/43/06/655994306.db2.gz XJLWIKKURWUFMH-UHFFFAOYSA-N 1 0 379.320 1.755 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000867092229 655994487 /nfs/dbraw/zinc/99/44/87/655994487.db2.gz JFBCQGHCUXGGMA-YESZJQIVSA-N 1 0 385.555 1.849 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2nc[nH]c2Br)C[C@H]1[NH+]1CCCC1 ZINC000867125397 655999139 /nfs/dbraw/zinc/99/91/39/655999139.db2.gz VEKSLXSFLAJLQV-ZJUUUORDSA-N 1 0 395.348 1.373 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000867143424 656001822 /nfs/dbraw/zinc/00/18/22/656001822.db2.gz AMYFMGJXNIBFDV-UHFFFAOYSA-N 1 0 388.253 1.725 20 0 GDADRO Cn1cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c(Br)n1 ZINC000867197322 656011117 /nfs/dbraw/zinc/01/11/17/656011117.db2.gz FKRCRCPJZDEPLL-UHFFFAOYSA-N 1 0 377.308 1.335 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000867225551 656017241 /nfs/dbraw/zinc/01/72/41/656017241.db2.gz WUVLBTIPPLWTCX-UHFFFAOYSA-N 1 0 380.436 1.935 20 0 GDADRO COc1cc(I)ccc1C(=O)NCCOCC[NH+](C)C ZINC000867240936 656020643 /nfs/dbraw/zinc/02/06/43/656020643.db2.gz FXHHURBIHZBOQH-UHFFFAOYSA-N 1 0 392.237 1.608 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000867302111 656034397 /nfs/dbraw/zinc/03/43/97/656034397.db2.gz KSISWPXVCWQIDT-UHFFFAOYSA-N 1 0 385.555 1.947 20 0 GDADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000867309483 656035741 /nfs/dbraw/zinc/03/57/41/656035741.db2.gz SDFRIPVWHVUJBH-ZWNOBZJWSA-N 1 0 379.404 1.901 20 0 GDADRO C[NH+](C)CC1CN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000867323346 656037941 /nfs/dbraw/zinc/03/79/41/656037941.db2.gz CJRURNXBYSKYCN-UHFFFAOYSA-N 1 0 386.417 1.162 20 0 GDADRO Cn1ncc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000867487427 656069209 /nfs/dbraw/zinc/06/92/09/656069209.db2.gz JNZTWDBEUDZPKS-QWRGUYRKSA-N 1 0 377.308 1.478 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)CCc1scnc1C ZINC000867581518 656088215 /nfs/dbraw/zinc/08/82/15/656088215.db2.gz NSOZPPXLNVYZMC-UHFFFAOYSA-N 1 0 375.560 1.614 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)nc1F ZINC000867582410 656088392 /nfs/dbraw/zinc/08/83/92/656088392.db2.gz WMYKYGHVDTZZCO-UHFFFAOYSA-N 1 0 379.885 1.853 20 0 GDADRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000867603825 656092214 /nfs/dbraw/zinc/09/22/14/656092214.db2.gz ACRUMGXMPSOGFJ-GJZGRUSLSA-N 1 0 375.535 1.790 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)CC[C@@H]21 ZINC000867812233 656120114 /nfs/dbraw/zinc/12/01/14/656120114.db2.gz IQQWZDYQFBDIIP-DOMZBBRYSA-N 1 0 383.901 1.939 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)C[C@H]3CCCCC3(F)F)CC2)CC1 ZINC000867816950 656121100 /nfs/dbraw/zinc/12/11/00/656121100.db2.gz QHBYPYIYJZGTES-OAHLLOKOSA-N 1 0 379.517 1.854 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)CC2)CC1 ZINC000867817154 656121399 /nfs/dbraw/zinc/12/13/99/656121399.db2.gz WURDZRWJTZYUOD-UHFFFAOYSA-N 1 0 393.340 1.789 20 0 GDADRO N[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc(Br)c1 ZINC000867958175 656135606 /nfs/dbraw/zinc/13/56/06/656135606.db2.gz KWSLMAYUASIPGU-INIZCTEOSA-N 1 0 382.302 1.772 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H](C[NH3+])C(F)(F)F)c1I ZINC000867983639 656137071 /nfs/dbraw/zinc/13/70/71/656137071.db2.gz QKJIWYAXPVQKLO-SSDOTTSWSA-N 1 0 390.147 1.688 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000868030099 656138253 /nfs/dbraw/zinc/13/82/53/656138253.db2.gz HFARSWOVJZBRCK-WBMJQRKESA-N 1 0 385.917 1.804 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000868053307 656138921 /nfs/dbraw/zinc/13/89/21/656138921.db2.gz XEWHNZMCMSQJRI-CMPLNLGQSA-N 1 0 390.269 1.939 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000868236095 656145387 /nfs/dbraw/zinc/14/53/87/656145387.db2.gz NVYXFUMWVISRPN-XLNGHYISSA-N 1 0 393.329 1.632 20 0 GDADRO Cc1c(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cnc(Cl)c1Br ZINC000868286425 656148646 /nfs/dbraw/zinc/14/86/46/656148646.db2.gz PSMVPNDDYZMOIZ-SVRRBLITSA-N 1 0 375.654 1.693 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000868301062 656149786 /nfs/dbraw/zinc/14/97/86/656149786.db2.gz BMRXLUMQNIGGTI-JGZJWPJOSA-N 1 0 387.221 1.392 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1cccc(Br)c1 ZINC000868390206 656153710 /nfs/dbraw/zinc/15/37/10/656153710.db2.gz GDLJEXXPXTZMDQ-CQDKDKBSSA-N 1 0 398.301 1.449 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000868390354 656153729 /nfs/dbraw/zinc/15/37/29/656153729.db2.gz ZETYTCCLZAKOGY-RHSMWYFYSA-N 1 0 398.301 1.450 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2nc(Br)sc2Cl)CC1=O ZINC000869131602 656181252 /nfs/dbraw/zinc/18/12/52/656181252.db2.gz NJZGVGQVSCXHBS-UHFFFAOYSA-N 1 0 395.710 1.405 20 0 GDADRO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000869194887 656184904 /nfs/dbraw/zinc/18/49/04/656184904.db2.gz KPXCVLSTSUQYCX-YRVYGCIDSA-N 1 0 377.282 1.612 20 0 GDADRO O=C(c1cc(Br)cn2ccnc12)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000869298990 656190011 /nfs/dbraw/zinc/19/00/11/656190011.db2.gz HSOCGRURYILGNO-CQSZACIVSA-N 1 0 393.285 1.768 20 0 GDADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC000870862553 656250870 /nfs/dbraw/zinc/25/08/70/656250870.db2.gz UYLUWQHYLSHDJR-OKILXGFUSA-N 1 0 385.917 1.690 20 0 GDADRO COCC[NH2+]CCNC(=O)c1ccc(I)cc1OC ZINC000870938620 656256769 /nfs/dbraw/zinc/25/67/69/656256769.db2.gz AYPJCJYELGONKI-UHFFFAOYSA-N 1 0 378.210 1.266 20 0 GDADRO CC(=O)N[C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)c1cccc(Br)c1 ZINC000870944176 656257852 /nfs/dbraw/zinc/25/78/52/656257852.db2.gz CEWBIWHZKJOQSP-LSDHHAIUSA-N 1 0 384.274 1.121 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1COc2cccc(Br)c2C1 ZINC000871008494 656260121 /nfs/dbraw/zinc/26/01/21/656260121.db2.gz VWGVQFJFEDIMKB-BXUZGUMPSA-N 1 0 396.285 1.127 20 0 GDADRO C[C@@H](C(=O)NCc1c(I)cnn1C)[C@H]([NH3+])c1ccccc1 ZINC000871020322 656260457 /nfs/dbraw/zinc/26/04/57/656260457.db2.gz UASKFSGTJWHHIE-YGRLFVJLSA-N 1 0 398.248 1.977 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 ZINC000871690606 656276825 /nfs/dbraw/zinc/27/68/25/656276825.db2.gz CBTCHTIBSRWITD-UHFFFAOYSA-N 1 0 384.527 1.287 20 0 GDADRO C[NH+]1CCN(CCCn2c(=O)onc2-c2ccc(Br)cc2)CC1 ZINC000871713516 656277619 /nfs/dbraw/zinc/27/76/19/656277619.db2.gz ZMZZTBPZKRMHKJ-UHFFFAOYSA-N 1 0 381.274 1.903 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cscc1Br ZINC000871809213 656280678 /nfs/dbraw/zinc/28/06/78/656280678.db2.gz WKEZLUINYSFIBY-JTQLQIEISA-N 1 0 395.344 1.948 20 0 GDADRO COC(=O)c1ccccc1CS(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871812519 656281598 /nfs/dbraw/zinc/28/15/98/656281598.db2.gz AMCSWJKJUSJZPV-WCQYABFASA-N 1 0 380.388 1.372 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cnc2c1Cl ZINC000871812704 656281753 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CC(C)(C)OC(=O)N1CCC2(CO[C@H](C[NH2+]CCS(C)(=O)=O)C2)CC1 ZINC000872246452 656321419 /nfs/dbraw/zinc/32/14/19/656321419.db2.gz PBUQYJXFSCUGOL-AWEZNQCLSA-N 1 0 376.519 1.427 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872462312 656334094 /nfs/dbraw/zinc/33/40/94/656334094.db2.gz BHXJQMTVJPJFIV-GNAIQMOGSA-N 1 0 381.564 1.311 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cccc(Br)n2)C[C@@H]1[NH+](C)C ZINC000872466309 656335245 /nfs/dbraw/zinc/33/52/45/656335245.db2.gz YKFJEGDOMZHMKB-UWVGGRQHSA-N 1 0 380.333 1.510 20 0 GDADRO O=S(=O)(c1ccc(F)c(C(F)F)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000872506851 656344137 /nfs/dbraw/zinc/34/41/37/656344137.db2.gz IXCQXJKZXOKHAP-GFCCVEGCSA-N 1 0 378.416 1.983 20 0 GDADRO CCC1(N2CCOCC2)CCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC1 ZINC000872508923 656344529 /nfs/dbraw/zinc/34/45/29/656344529.db2.gz MTVLDQKAGXQWON-XMMPIXPASA-N 1 0 395.591 1.704 20 0 GDADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872616068 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CC[NH+](CC)CCSCC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000921760382 656406716 /nfs/dbraw/zinc/40/67/16/656406716.db2.gz QZXQUJUESUNFRY-UHFFFAOYSA-N 1 0 377.557 1.628 20 0 GDADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2c3c(ccc2Br)OCC3)C1 ZINC000873744615 656409872 /nfs/dbraw/zinc/40/98/72/656409872.db2.gz RJKKVRDZOPPGTB-LLVKDONJSA-N 1 0 396.285 1.781 20 0 GDADRO O[C@@H](C[NH2+]Cc1cnc2n1CCOC2)COc1ccccc1Br ZINC000921855491 656420148 /nfs/dbraw/zinc/42/01/48/656420148.db2.gz GJKDLVUXHDHLRS-ZDUSSCGKSA-N 1 0 382.258 1.705 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)c1cnc(I)c([O-])c1 ZINC000873833529 656420654 /nfs/dbraw/zinc/42/06/54/656420654.db2.gz ODZDSVLFQKSMJQ-UHFFFAOYSA-N 1 0 375.210 1.608 20 0 GDADRO CCc1ccc(Br)c(NC(=O)C(=O)NCCOCC[NH+](C)C)c1 ZINC000873833580 656420734 /nfs/dbraw/zinc/42/07/34/656420734.db2.gz PUMQEEMXVZAMSL-UHFFFAOYSA-N 1 0 386.290 1.644 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873836284 656421040 /nfs/dbraw/zinc/42/10/40/656421040.db2.gz 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C[C@H]1[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000922375934 656472718 /nfs/dbraw/zinc/47/27/18/656472718.db2.gz BJBJXYKTUSTZHK-GWCFXTLKSA-N 1 0 392.884 1.149 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c(I)n1 ZINC000922526746 656488559 /nfs/dbraw/zinc/48/85/59/656488559.db2.gz UIZKEVBVDGKEIY-NEPJUHHUSA-N 1 0 392.310 1.694 20 0 GDADRO CCO[C@@H](CNC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21)C[NH+](C)C ZINC000922545675 656490362 /nfs/dbraw/zinc/49/03/62/656490362.db2.gz FPHWXIBOXYHISS-OBJOEFQTSA-N 1 0 389.543 1.621 20 0 GDADRO CS(=O)(=O)CC1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000922657948 656500151 /nfs/dbraw/zinc/50/01/51/656500151.db2.gz YSQLANGYIRSJMG-SSHXOBKSSA-N 1 0 389.587 1.469 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCO[C@H]1CCOC1 ZINC000922942876 656518199 /nfs/dbraw/zinc/51/81/99/656518199.db2.gz VPYRJZYVHIMDSN-STQMWFEESA-N 1 0 377.894 1.100 20 0 GDADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1cc(Br)c3c(c1)OCCO3)CC2 ZINC000922993515 656521247 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CCC1([NH+](C)C)CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000875345621 656532463 /nfs/dbraw/zinc/53/24/63/656532463.db2.gz ZVXAYEGWLXKBBS-KFWWJZLASA-N 1 0 385.599 1.815 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1ccc(Br)cn1)C1=CC[N@H+](C)CC1 ZINC000875360053 656533309 /nfs/dbraw/zinc/53/33/09/656533309.db2.gz CSOQKSDZTJCNHZ-NSHDSACASA-N 1 0 381.274 1.227 20 0 GDADRO CC(C)N1C(=S)N=NC1CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000923212708 656534541 /nfs/dbraw/zinc/53/45/41/656534541.db2.gz NWISWJQZBITHEZ-QWHCGFSZSA-N 1 0 384.575 1.569 20 0 GDADRO COC(=O)c1cc(Br)c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000923296355 656542932 /nfs/dbraw/zinc/54/29/32/656542932.db2.gz GIZKSJCYDXJEJY-MEBBXXQBSA-N 1 0 387.274 1.792 20 0 GDADRO O=S(=O)(c1ccc(Cl)s1)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923297260 656543497 /nfs/dbraw/zinc/54/34/97/656543497.db2.gz FPAUTRQXVAQBQP-LBPRGKRZSA-N 1 0 391.946 1.086 20 0 GDADRO O[C@H](COc1cc(F)cc(Br)c1)CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000923384764 656548506 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GDADRO CC[C@H]1CN(C(=O)NCc2cnc(Br)cn2)CC[N@@H+]1CCOC ZINC000923528983 656563223 /nfs/dbraw/zinc/56/32/23/656563223.db2.gz WVGYIILRXLTBKL-ZDUSSCGKSA-N 1 0 386.294 1.491 20 0 GDADRO O=C(c1c(F)cccc1Cl)N1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923604296 656575572 /nfs/dbraw/zinc/57/55/72/656575572.db2.gz FFTDWWFVNKWQKK-GFCCVEGCSA-N 1 0 389.880 1.319 20 0 GDADRO O=C1[C@@H](NS(=O)(=O)[C@H]2CCC[NH2+]C2)CCN1c1ccc(F)c(Cl)c1 ZINC000923633331 656579026 /nfs/dbraw/zinc/57/90/26/656579026.db2.gz ARDBKYSXXNBXFM-FZMZJTMJSA-N 1 0 375.853 1.256 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1COc2cccc(Br)c2C1 ZINC000876231367 656584431 /nfs/dbraw/zinc/58/44/31/656584431.db2.gz VGSWBRXRHUHCDH-VXGBXAGGSA-N 1 0 384.274 1.118 20 0 GDADRO COC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1cccc(Br)c1 ZINC000876232733 656585455 /nfs/dbraw/zinc/58/54/55/656585455.db2.gz NUSGKCSNGNFREO-GOEBONIOSA-N 1 0 388.306 1.748 20 0 GDADRO COC[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000876235174 656586432 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CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H](C[NH3+])[C@@H](C)C3)c(Cl)cc21 ZINC000923704426 656593425 /nfs/dbraw/zinc/59/34/25/656593425.db2.gz VCKPJKPUOHEVAQ-SMDDNHRTSA-N 1 0 385.917 1.854 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC[C@H]1C[NH3+] ZINC000923705145 656593555 /nfs/dbraw/zinc/59/35/55/656593555.db2.gz WADRIEQARHBHNH-PWSUYJOCSA-N 1 0 389.315 1.989 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)ccc1F ZINC000923735044 656595877 /nfs/dbraw/zinc/59/58/77/656595877.db2.gz GIGMZSUVWQNQPJ-HNNXBMFYSA-N 1 0 376.475 1.136 20 0 GDADRO Cn1ncc(I)c1CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000876302192 656598840 /nfs/dbraw/zinc/59/88/40/656598840.db2.gz YKXUNWXTZKQMMR-UHFFFAOYSA-N 1 0 389.241 1.086 20 0 GDADRO C[NH+]1CCC(OCC(=O)O[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000923789159 656599692 /nfs/dbraw/zinc/59/96/92/656599692.db2.gz JNOXTDVZKGWRNN-HNNXBMFYSA-N 1 0 385.258 1.630 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1COCO1 ZINC000923859375 656603385 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CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876694719 656624705 /nfs/dbraw/zinc/62/47/05/656624705.db2.gz MXRQKYKKHYDQSA-STQMWFEESA-N 1 0 379.404 1.245 20 0 GDADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@H](O)COc1ccccc1Br ZINC000876690920 656624753 /nfs/dbraw/zinc/62/47/53/656624753.db2.gz VEGLCJNYZMNDTE-XQYKZARXSA-N 1 0 383.286 1.861 20 0 GDADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1(F)F ZINC000876711433 656626191 /nfs/dbraw/zinc/62/61/91/656626191.db2.gz WMNLLXVNVNFRAA-ZYHUDNBSSA-N 1 0 394.285 1.995 20 0 GDADRO CN1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000876877064 656636478 /nfs/dbraw/zinc/63/64/78/656636478.db2.gz ZWLMGVRQJMUORN-CABCVRRESA-N 1 0 395.301 1.726 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)CC[C@H]21 ZINC000876876614 656636629 /nfs/dbraw/zinc/63/66/29/656636629.db2.gz RYTOLQZOXAFXQY-RBSFLKMASA-N 1 0 375.535 1.693 20 0 GDADRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000876892388 656636971 /nfs/dbraw/zinc/63/69/71/656636971.db2.gz BYORBNNUTSRANT-BNOWGMLFSA-N 1 0 384.249 1.396 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)[C@@]2(COC)C[NH2+]CCO2)cc1Cl ZINC000876897101 656638086 /nfs/dbraw/zinc/63/80/86/656638086.db2.gz HFVNVTDDUMVPQS-INIZCTEOSA-N 1 0 393.267 1.962 20 0 GDADRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000876913513 656639191 /nfs/dbraw/zinc/63/91/91/656639191.db2.gz HBOAQYQOTDIIKT-ZJUUUORDSA-N 1 0 376.404 1.863 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cc(I)nn2C)[C@H]1CC[NH3+] ZINC000876948431 656641961 /nfs/dbraw/zinc/64/19/61/656641961.db2.gz IOXOQRFDBZCBKZ-UWVGGRQHSA-N 1 0 376.242 1.614 20 0 GDADRO C[NH+](C)C[C@H](N)C(=O)NCc1cc(Cl)ccc1I ZINC000876959807 656642572 /nfs/dbraw/zinc/64/25/72/656642572.db2.gz PJSUBUOKMVVKMS-NSHDSACASA-N 1 0 381.645 1.450 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000877009929 656645794 /nfs/dbraw/zinc/64/57/94/656645794.db2.gz FSRDWHBWENLNNW-NWDGAFQWSA-N 1 0 396.232 1.510 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000877008984 656645861 /nfs/dbraw/zinc/64/58/61/656645861.db2.gz DAYVTNXSMBCLAH-CYBMUJFWSA-N 1 0 375.535 1.836 20 0 GDADRO COc1cc(I)ccc1C(=O)NCC1([NH3+])CCOCC1 ZINC000877014673 656646357 /nfs/dbraw/zinc/64/63/57/656646357.db2.gz LWZBEZUDEVGDNM-UHFFFAOYSA-N 1 0 390.221 1.538 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)NCC2([NH3+])CCOCC2)ccc1Br ZINC000877014339 656646360 /nfs/dbraw/zinc/64/63/60/656646360.db2.gz WYYLISYQDKRWIT-UHFFFAOYSA-N 1 0 391.287 1.090 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)/C=C\c1ccc(I)o1 ZINC000877026607 656647268 /nfs/dbraw/zinc/64/72/68/656647268.db2.gz CVRBUPBWTURPEL-XQRVVYSFSA-N 1 0 378.210 1.592 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C[NH2+]1 ZINC000877049757 656649791 /nfs/dbraw/zinc/64/97/91/656649791.db2.gz WRVROMIGVRKMPL-CHWSQXEVSA-N 1 0 385.917 1.995 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000877060579 656650964 /nfs/dbraw/zinc/65/09/64/656650964.db2.gz LUGDPSVMQUDAOF-UHFFFAOYSA-N 1 0 383.695 1.527 20 0 GDADRO [NH3+][C@@H]1CC=C(C(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)C1 ZINC000877124066 656655221 /nfs/dbraw/zinc/65/52/21/656655221.db2.gz SPJHDMCMAAZMII-OAHLLOKOSA-N 1 0 378.270 1.667 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877259937 656661388 /nfs/dbraw/zinc/66/13/88/656661388.db2.gz NEBSZYQWWDVYFA-BBRMVZONSA-N 1 0 379.592 1.271 20 0 GDADRO O=C(NCc1ncc(Br)s1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000877267242 656662931 /nfs/dbraw/zinc/66/29/31/656662931.db2.gz ZNZDTWBGUOINIY-VIFPVBQESA-N 1 0 385.291 1.742 20 0 GDADRO O=C(c1ccc(N2CCCS2(=O)=O)cc1Cl)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877277458 656663446 /nfs/dbraw/zinc/66/34/46/656663446.db2.gz HDGNSODEYFPHTB-HZPDHXFCSA-N 1 0 383.901 1.846 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877286619 656663907 /nfs/dbraw/zinc/66/39/07/656663907.db2.gz FWAMOJLMAVLAKL-HUUCEWRRSA-N 1 0 380.286 1.922 20 0 GDADRO COC[C@@]1(C(=O)NCC2(c3ccc(Br)cc3)CC2)C[NH2+]CCO1 ZINC000877306681 656666227 /nfs/dbraw/zinc/66/62/27/656666227.db2.gz XCPXZRPATKPVRY-QGZVFWFLSA-N 1 0 383.286 1.602 20 0 GDADRO COc1cc(Br)c(CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)cc1OC ZINC000924583330 656668388 /nfs/dbraw/zinc/66/83/88/656668388.db2.gz SIMCFMHRQZVOOP-NSHDSACASA-N 1 0 386.246 1.448 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)Cn2ccc(Br)cc2=O)C[C@H]1C(F)(F)F ZINC000877354554 656668891 /nfs/dbraw/zinc/66/88/91/656668891.db2.gz HGZPXNJPKHYYKL-WCBMZHEXSA-N 1 0 382.180 1.206 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2cc(I)c[nH]2)C[C@H]1C(F)(F)F ZINC000877363282 656669813 /nfs/dbraw/zinc/66/98/13/656669813.db2.gz DCRJLXGGVLCTLJ-POYBYMJQSA-N 1 0 387.143 1.829 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877370929 656671818 /nfs/dbraw/zinc/67/18/18/656671818.db2.gz IQKALOXXKSSQLZ-WCQYABFASA-N 1 0 379.404 1.146 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)ccc1Br ZINC000877391952 656672617 /nfs/dbraw/zinc/67/26/17/656672617.db2.gz KMICBMGEEMCLRZ-HIFRSBDPSA-N 1 0 387.299 1.867 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877394088 656673269 /nfs/dbraw/zinc/67/32/69/656673269.db2.gz BNHKXKSEZINGIE-RHSMWYFYSA-N 1 0 391.269 1.560 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CCCCCC[NH3+] ZINC000877441589 656674675 /nfs/dbraw/zinc/67/46/75/656674675.db2.gz GNKNNTWTXBQKEH-ZDUSSCGKSA-N 1 0 375.922 1.984 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@@]2(OCCO)CCOC2)cc1Br ZINC000877624022 656683939 /nfs/dbraw/zinc/68/39/39/656683939.db2.gz HBZKEBGQJKUZSI-INIZCTEOSA-N 1 0 388.258 1.493 20 0 GDADRO CN(C)S(=O)(=O)NCC(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000924888684 656685780 /nfs/dbraw/zinc/68/57/80/656685780.db2.gz LCTCHLLOBCWLOF-UHFFFAOYSA-N 1 0 382.408 1.102 20 0 GDADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CCO[C@@H]1C(=O)OC ZINC000877726183 656689134 /nfs/dbraw/zinc/68/91/34/656689134.db2.gz GLVRZUMDMUQTJN-FZMZJTMJSA-N 1 0 375.874 1.801 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000877750136 656690280 /nfs/dbraw/zinc/69/02/80/656690280.db2.gz BBORQHTXHYRLDX-GDBMZVCRSA-N 1 0 388.965 1.977 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000925166381 656697465 /nfs/dbraw/zinc/69/74/65/656697465.db2.gz AZXBKBUUWKHCCM-NWDGAFQWSA-N 1 0 380.436 1.330 20 0 GDADRO CC1(C)CNC(=O)[C@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000925168817 656697939 /nfs/dbraw/zinc/69/79/39/656697939.db2.gz XCRFKNCZSDSDBY-OAHLLOKOSA-N 1 0 385.555 1.579 20 0 GDADRO C[NH+](C)C[C@@H]1NC(=O)N(Cc2noc(-c3cccc(Br)c3)n2)C1=O ZINC000925394530 656710030 /nfs/dbraw/zinc/71/00/30/656710030.db2.gz YRRRZVTWRVTMHB-NSHDSACASA-N 1 0 394.229 1.481 20 0 GDADRO C[C@H](Sc1nc(CC(=O)NC2CC[NH+](CC3CC3)CC2)cs1)C(N)=O ZINC000878315862 656718778 /nfs/dbraw/zinc/71/87/78/656718778.db2.gz CXYBMTYHBUSKIX-NSHDSACASA-N 1 0 382.555 1.642 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(CC(=O)N=[S@](C)(=O)N(C)C)CC1 ZINC000878331883 656719183 /nfs/dbraw/zinc/71/91/83/656719183.db2.gz DHKXTZJCJMJQIE-VWLOTQADSA-N 1 0 376.567 1.158 20 0 GDADRO COC[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000925800711 656722325 /nfs/dbraw/zinc/72/23/25/656722325.db2.gz WKJSUDBTZUGQNZ-LSDHHAIUSA-N 1 0 380.432 1.759 20 0 GDADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CCNCC[NH2+]CC1 ZINC000925909429 656725732 /nfs/dbraw/zinc/72/57/32/656725732.db2.gz IEGLGINPHLSVIX-UHFFFAOYSA-N 1 0 385.262 1.247 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1nc(C(F)(F)F)cs1)C2 ZINC000925917601 656726213 /nfs/dbraw/zinc/72/62/13/656726213.db2.gz HBYPODWQTIWYDX-DAROEXNTSA-N 1 0 378.376 1.906 20 0 GDADRO Cn1cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc(Br)c1=O ZINC000926064870 656733147 /nfs/dbraw/zinc/73/31/47/656733147.db2.gz NZIRSPZAKGTLLB-PSASIEDQSA-N 1 0 397.195 1.891 20 0 GDADRO O=C(NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)Nc1ccnc(Br)c1 ZINC000926125295 656737039 /nfs/dbraw/zinc/73/70/39/656737039.db2.gz IQFPZHYQMAFUOV-LLVKDONJSA-N 1 0 383.246 1.651 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cc(Br)cnc1C)C2 ZINC000926133487 656737949 /nfs/dbraw/zinc/73/79/49/656737949.db2.gz MCEYWXPYAMTJSP-IETSOEAISA-N 1 0 397.273 1.897 20 0 GDADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(I)c(Cl)c1 ZINC000926219079 656741523 /nfs/dbraw/zinc/74/15/23/656741523.db2.gz LZSZKWBKKJWULA-QMMMGPOBSA-N 1 0 383.617 1.728 20 0 GDADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000926283232 656743552 /nfs/dbraw/zinc/74/35/52/656743552.db2.gz XLRFLYXUWZJLOT-XJKSGUPXSA-N 1 0 397.313 1.485 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cs1)C(N)=O ZINC000878736483 656744990 /nfs/dbraw/zinc/74/49/90/656744990.db2.gz FGBFAQIINJEAEF-GXTWGEPZSA-N 1 0 382.555 1.738 20 0 GDADRO OCC1([C@H]([NH2+]C[C@H](O)c2cc(Br)no2)[C@@H]2CCCO2)CCC1 ZINC000878869082 656754488 /nfs/dbraw/zinc/75/44/88/656754488.db2.gz YPNJKLKUTLPOCQ-COPLHBTASA-N 1 0 375.263 1.770 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)c(F)cc3C2)CC[C@@H]1[NH3+] ZINC000926433453 656754653 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C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000926955252 656782381 /nfs/dbraw/zinc/78/23/81/656782381.db2.gz ZYWFAYZCGDDHPA-AWEZNQCLSA-N 1 0 388.555 1.948 20 0 GDADRO C[C@@H]1C[N@H+](CC2(O)CCS(=O)(=O)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000879216355 656783096 /nfs/dbraw/zinc/78/30/96/656783096.db2.gz UTMNSCDEISMLAS-ZIAGYGMSSA-N 1 0 376.519 1.019 20 0 GDADRO O=C1C[C@H](CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CN1 ZINC000926980036 656784711 /nfs/dbraw/zinc/78/47/11/656784711.db2.gz OFCPCLLPQYAAPE-GWCFXTLKSA-N 1 0 387.299 1.783 20 0 GDADRO O=C1C[C@@H](CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CN1 ZINC000926980041 656784721 /nfs/dbraw/zinc/78/47/21/656784721.db2.gz OFCPCLLPQYAAPE-ZWNOBZJWSA-N 1 0 387.299 1.783 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)NC2CCC(C[NH+](C)C)CC2)cs1)C(N)=O ZINC000879256548 656784790 /nfs/dbraw/zinc/78/47/90/656784790.db2.gz DDTYLLIOGJNLFI-PNESKVBLSA-N 1 0 384.571 1.888 20 0 GDADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000927023617 656787203 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1.606 20 0 GDADRO CC1(C)[C@H](NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000884352036 657349855 /nfs/dbraw/zinc/34/98/55/657349855.db2.gz BHUWCPVPCJRCCX-QWHCGFSZSA-N 1 0 389.315 1.606 20 0 GDADRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000884352188 657349990 /nfs/dbraw/zinc/34/99/90/657349990.db2.gz FIUOJZXPLDIKCZ-RYUDHWBXSA-N 1 0 375.288 1.465 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)c1I ZINC000884366067 657350436 /nfs/dbraw/zinc/35/04/36/657350436.db2.gz SXAPUWALRBPTAA-VHSXEESVSA-N 1 0 376.242 1.924 20 0 GDADRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000884398309 657352936 /nfs/dbraw/zinc/35/29/36/657352936.db2.gz AVHXNHPMBGKROH-ZDUSSCGKSA-N 1 0 385.306 1.700 20 0 GDADRO CN(C)C[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000884438997 657357134 /nfs/dbraw/zinc/35/71/34/657357134.db2.gz PVWRNYIVOKBUBA-KBPBESRZSA-N 1 0 396.340 1.474 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884494306 657360990 /nfs/dbraw/zinc/36/09/90/657360990.db2.gz PXFRSZIRSJRUFS-KBPBESRZSA-N 1 0 396.285 1.079 20 0 GDADRO CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000884533382 657363626 /nfs/dbraw/zinc/36/36/26/657363626.db2.gz GXAGIBCSWHMVBZ-LLVKDONJSA-N 1 0 386.315 1.956 20 0 GDADRO O=C(NCc1sccc1Br)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884545075 657363920 /nfs/dbraw/zinc/36/39/20/657363920.db2.gz XZFMYMHGXATHGH-JGPRNRPPSA-N 1 0 386.315 1.774 20 0 GDADRO Cc1ccc(C[C@H](C)NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)s1 ZINC000884565208 657365030 /nfs/dbraw/zinc/36/50/30/657365030.db2.gz CVGMBUYPQCRELI-NDMJEZRESA-N 1 0 377.432 1.699 20 0 GDADRO CCC1([NH3+])CCN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000884622504 657367956 /nfs/dbraw/zinc/36/79/56/657367956.db2.gz QTEQSLJWOFPQRN-UHFFFAOYSA-N 1 0 378.420 1.551 20 0 GDADRO COC[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000884682226 657370911 /nfs/dbraw/zinc/37/09/11/657370911.db2.gz UHVCIEOQMUPCCP-GJZGRUSLSA-N 1 0 398.301 1.511 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC000934667762 657371170 /nfs/dbraw/zinc/37/11/70/657371170.db2.gz DWKYCEPFCRUYIO-WMLDXEAASA-N 1 0 375.535 1.695 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)CC1 ZINC000884684774 657371251 /nfs/dbraw/zinc/37/12/51/657371251.db2.gz PBBNDOLZQRCIIL-UHFFFAOYSA-N 1 0 375.803 1.944 20 0 GDADRO CSCC(C)(C)[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000934679642 657371405 /nfs/dbraw/zinc/37/14/05/657371405.db2.gz XMCKOQGOSKJAAF-ZDUSSCGKSA-N 1 0 390.596 1.995 20 0 GDADRO COC[C@@H](NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000884691717 657373246 /nfs/dbraw/zinc/37/32/46/657373246.db2.gz PWZZKWLJJNPJOA-IUODEOHRSA-N 1 0 398.301 1.369 20 0 GDADRO O=C(NCc1cc(C(F)(F)F)ccc1Br)C(=O)NCC1C[NH2+]C1 ZINC000884693553 657373492 /nfs/dbraw/zinc/37/34/92/657373492.db2.gz DSTUKXQFKAHNDT-UHFFFAOYSA-N 1 0 394.191 1.420 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1)C1CC1 ZINC000884706870 657374084 /nfs/dbraw/zinc/37/40/84/657374084.db2.gz QTEASBUTIVAHPW-AWEZNQCLSA-N 1 0 380.286 1.450 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)CCC1 ZINC000884715282 657374452 /nfs/dbraw/zinc/37/44/52/657374452.db2.gz PCFOGRZBGDLQBU-UHFFFAOYSA-N 1 0 380.286 1.595 20 0 GDADRO CC1(CNC(=O)C(=O)NCc2ncc(Br)s2)CC[NH2+]CC1 ZINC000884710410 657374496 /nfs/dbraw/zinc/37/44/96/657374496.db2.gz IHSMMNFXWLHYFN-UHFFFAOYSA-N 1 0 375.292 1.028 20 0 GDADRO COC[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1cccc(Br)c1 ZINC000884720481 657375383 /nfs/dbraw/zinc/37/53/83/657375383.db2.gz NZHNMJNLKXNLRN-CQDKDKBSSA-N 1 0 398.301 1.367 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](COC)c1cccc(Br)c1 ZINC000884722756 657375562 /nfs/dbraw/zinc/37/55/62/657375562.db2.gz KGXLTQRRPLUAIF-BXUZGUMPSA-N 1 0 386.290 1.367 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884957493 657390343 /nfs/dbraw/zinc/39/03/43/657390343.db2.gz RCPXZMHIRNOIEG-KGLIPLIRSA-N 1 0 385.917 1.913 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCc2ncc(Br)s2)[C@H]1C[NH3+] ZINC000885032765 657411036 /nfs/dbraw/zinc/41/10/36/657411036.db2.gz DFZQHGJVIRQGNU-BDAKNGLRSA-N 1 0 375.292 1.108 20 0 GDADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885108826 657421158 /nfs/dbraw/zinc/42/11/58/657421158.db2.gz ABWOHPCJXAFGHZ-AOOOYVTPSA-N 1 0 376.766 1.333 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ncc(Cl)s2)CC[C@H]1C(F)(F)F ZINC000885108627 657421234 /nfs/dbraw/zinc/42/12/34/657421234.db2.gz RXLYXLFBIWBGTG-JGVFFNPUSA-N 1 0 384.811 1.398 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)[C@@H](C)C[NH2+]1 ZINC000885109240 657421705 /nfs/dbraw/zinc/42/17/05/657421705.db2.gz LIBRFSVZEUBOFJ-IUCAKERBSA-N 1 0 378.782 1.579 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCc2ccc3ccc(Br)cc3c2)C1 ZINC000885176768 657425729 /nfs/dbraw/zinc/42/57/29/657425729.db2.gz XMGUOUUSOSBVFF-OAHLLOKOSA-N 1 0 376.254 1.778 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCc2sccc2Br)C[C@@H]1C[NH3+] ZINC000885209770 657428823 /nfs/dbraw/zinc/42/88/23/657428823.db2.gz AHEBGASWJTYPCM-MNOVXSKESA-N 1 0 388.331 1.613 20 0 GDADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCc2sccc2Br)CC1 ZINC000885209763 657428838 /nfs/dbraw/zinc/42/88/38/657428838.db2.gz ADNRRWOKDBNWDX-UHFFFAOYSA-N 1 0 388.331 1.757 20 0 GDADRO O=C(NCCc1sccc1Br)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000885210817 657429506 /nfs/dbraw/zinc/42/95/06/657429506.db2.gz ZRBLDBVMKBUMMX-VXGBXAGGSA-N 1 0 386.315 1.522 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Cl)n1 ZINC000885214558 657430186 /nfs/dbraw/zinc/43/01/86/657430186.db2.gz SCPKPRALUYHQIH-WDEREUQCSA-N 1 0 378.782 1.255 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Br)cn2ncnc12 ZINC000935779037 657484670 /nfs/dbraw/zinc/48/46/70/657484670.db2.gz AGXONSKUHYRREZ-LBPRGKRZSA-N 1 0 384.278 1.314 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cnn2cccc(Br)c12 ZINC000935780786 657484691 /nfs/dbraw/zinc/48/46/91/657484691.db2.gz RMNCWQCZGGLXAB-GFCCVEGCSA-N 1 0 383.290 1.919 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)c2ccc3c(Br)cnn3c2)CC1(C)C ZINC000935819572 657491811 /nfs/dbraw/zinc/49/18/11/657491811.db2.gz ZXJROTKCTQTREL-UHFFFAOYSA-N 1 0 394.317 1.853 20 0 GDADRO O=C(c1ccc(Br)[nH]c1=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000935839774 657497859 /nfs/dbraw/zinc/49/78/59/657497859.db2.gz IPLDPBDJSALRDY-LBPRGKRZSA-N 1 0 384.274 1.734 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC000935981899 657534402 /nfs/dbraw/zinc/53/44/02/657534402.db2.gz AHKWVGXGNQLSBO-VXGBXAGGSA-N 1 0 383.290 1.644 20 0 GDADRO Cn1c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc2cc(Br)cnc21 ZINC000935987381 657536264 /nfs/dbraw/zinc/53/62/64/657536264.db2.gz WIVSTSFVGHKXJB-KBPBESRZSA-N 1 0 393.285 1.617 20 0 GDADRO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)c1scnc1Cl ZINC000941885786 657554219 /nfs/dbraw/zinc/55/42/19/657554219.db2.gz SLSJBNCBEUSBRK-DDHJBXDOSA-N 1 0 386.905 1.092 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)s1 ZINC000956873164 657569288 /nfs/dbraw/zinc/56/92/88/657569288.db2.gz QVNQXHSSVRNJRV-SOUVJXGZSA-N 1 0 385.555 1.809 20 0 GDADRO O=C(N[C@@H]1[C@H]2CN(Cc3sccc3Cl)C[C@H]21)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000961323089 657576139 /nfs/dbraw/zinc/57/61/39/657576139.db2.gz NIWGTHFOVZTWGN-XTPYWUFDSA-N 1 0 382.913 1.999 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)cn2ncnc12 ZINC000885893748 657584533 /nfs/dbraw/zinc/58/45/33/657584533.db2.gz VYEIUZRCBSZGGT-ZDUSSCGKSA-N 1 0 394.273 1.475 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1c(Br)nc2n1CCC2 ZINC000885888836 657584575 /nfs/dbraw/zinc/58/45/75/657584575.db2.gz QVMLIOALQRVING-GFCCVEGCSA-N 1 0 383.290 1.575 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2scnc2Cl)C3)CC[N@@H+]1C ZINC000996595934 657626978 /nfs/dbraw/zinc/62/69/78/657626978.db2.gz GCFAMSMYDLRIIT-KVSVUVNWSA-N 1 0 382.917 1.998 20 0 GDADRO O[C@@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC[C@@H]1O ZINC000886262162 657632320 /nfs/dbraw/zinc/63/23/20/657632320.db2.gz LMSWOBADMHKEJH-XGHVKYEFSA-N 1 0 381.274 1.784 20 0 GDADRO Ic1cnnn1C1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886280461 657633718 /nfs/dbraw/zinc/63/37/18/657633718.db2.gz FKHDLSYVSSAFKL-FZMZJTMJSA-N 1 0 388.253 1.946 20 0 GDADRO Cn1ccn2c(CC[NH2+]Cc3cccc(Br)c3F)nnc2c1=O ZINC000886282446 657634741 /nfs/dbraw/zinc/63/47/41/657634741.db2.gz JFWPGZMOZCJLSM-UHFFFAOYSA-N 1 0 380.221 1.662 20 0 GDADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc(Cl)s1)C2)C1CC1 ZINC000998330289 657647976 /nfs/dbraw/zinc/64/79/76/657647976.db2.gz CWXVDTASGDKIAY-OWTLIXCDSA-N 1 0 382.917 1.998 20 0 GDADRO CSC[C@H](O)CN1CC[N@H+](C[C@H](O)CSC)[C@@H](Cc2ccccc2)C1 ZINC000886384441 657647959 /nfs/dbraw/zinc/64/79/59/657647959.db2.gz ROKBTWYVKHSZGK-OTWHNJEPSA-N 1 0 384.611 1.663 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncc(Cl)s2)C1 ZINC000998628584 657653198 /nfs/dbraw/zinc/65/31/98/657653198.db2.gz AVPCOHFMGVPCDT-NDBYEHHHSA-N 1 0 382.917 2.000 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2nc(Cl)cs2)C3)C1 ZINC000999571219 657662167 /nfs/dbraw/zinc/66/21/67/657662167.db2.gz CVGNGVFTOKKXKA-RNJOBUHISA-N 1 0 382.917 2.000 20 0 GDADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886561637 657674710 /nfs/dbraw/zinc/67/47/10/657674710.db2.gz DPFKHMVNLUCJQK-MCIONIFRSA-N 1 0 383.539 1.559 20 0 GDADRO C[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cncc(Br)c1 ZINC000886701288 657681969 /nfs/dbraw/zinc/68/19/69/657681969.db2.gz NHRPXVZXFMLELV-SNVBAGLBSA-N 1 0 377.246 1.479 20 0 GDADRO Cc1sc(Cl)nc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001002790643 657693132 /nfs/dbraw/zinc/69/31/32/657693132.db2.gz NZXSXYQRAFTWSE-LOWDOPEQSA-N 1 0 382.917 1.918 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)cc1Br ZINC000886882314 657715113 /nfs/dbraw/zinc/71/51/13/657715113.db2.gz NJIYFNCAQCRTSB-UHFFFAOYSA-N 1 0 393.303 1.586 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)cc1Br ZINC000886882634 657715934 /nfs/dbraw/zinc/71/59/34/657715934.db2.gz ZEZLRLQFJDBGRS-LLVKDONJSA-N 1 0 393.303 1.444 20 0 GDADRO [NH3+]CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000886894295 657721131 /nfs/dbraw/zinc/72/11/31/657721131.db2.gz GDNBFIDXARQQFH-OAHLLOKOSA-N 1 0 384.889 1.648 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000886896173 657721909 /nfs/dbraw/zinc/72/19/09/657721909.db2.gz AMKWQKIIDGXCIO-LBPRGKRZSA-N 1 0 396.481 1.230 20 0 GDADRO COC[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)[C@H]1CCCOC1 ZINC000886908152 657727160 /nfs/dbraw/zinc/72/71/60/657727160.db2.gz OKJTYOGCLAHGDM-JSGCOSHPSA-N 1 0 396.289 1.956 20 0 GDADRO CCS(=O)(=O)c1cc(F)ccc1NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886940300 657728126 /nfs/dbraw/zinc/72/81/26/657728126.db2.gz SWIJBZZFUTXYCQ-SNVBAGLBSA-N 1 0 379.404 1.986 20 0 GDADRO CN(c1ccccc1NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)S(C)(=O)=O ZINC000886935692 657728169 /nfs/dbraw/zinc/72/81/69/657728169.db2.gz TWXLXSVVPRQLGL-LLVKDONJSA-N 1 0 376.429 1.449 20 0 GDADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(Cl)n1)C2)C1CC1 ZINC001006178916 657730980 /nfs/dbraw/zinc/73/09/80/657730980.db2.gz UHWGYMNHPRRTLZ-RFHZTLPTSA-N 1 0 382.917 1.998 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)Nc1cccc(Br)n1 ZINC000887035595 657741185 /nfs/dbraw/zinc/74/11/85/657741185.db2.gz SEBPHJOBLWWGMX-QMMMGPOBSA-N 1 0 377.189 1.144 20 0 GDADRO COc1c(C)cc(Cl)cc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000887037143 657742104 /nfs/dbraw/zinc/74/21/04/657742104.db2.gz VTFMKMZHKSLJSO-SNVBAGLBSA-N 1 0 375.803 1.957 20 0 GDADRO Cn1c(Cl)cnc1Cc1nc(-c2cn(C[C@@H]3C[NH2+]CCO3)nn2)cs1 ZINC000887428097 657781926 /nfs/dbraw/zinc/78/19/26/657781926.db2.gz PKXBFOPTGFXZEP-JTQLQIEISA-N 1 0 379.877 1.368 20 0 GDADRO COC(=O)c1cc(NC(=O)NCC[N@H+](C)CCO)cc(Br)c1F ZINC000888028158 657856511 /nfs/dbraw/zinc/85/65/11/657856511.db2.gz VDISCZIVVWQKNO-UHFFFAOYSA-N 1 0 392.225 1.420 20 0 GDADRO CN1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC[N@H+](C)CC1 ZINC000888983926 657964648 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COCc1csc(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)c1 ZINC000899890771 659064396 /nfs/dbraw/zinc/06/43/96/659064396.db2.gz CIKIOZYYSXVJQR-OAHLLOKOSA-N 1 0 390.571 1.986 20 0 GDADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000900299484 659098419 /nfs/dbraw/zinc/09/84/19/659098419.db2.gz FYNZKECKAZYLCI-XJKSGUPXSA-N 1 0 384.274 1.349 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900516728 659117885 /nfs/dbraw/zinc/11/78/85/659117885.db2.gz BJDUNVZIGDRZSZ-INIZCTEOSA-N 1 0 399.289 1.088 20 0 GDADRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cn1nc(Br)c(Br)n1 ZINC000900522297 659118523 /nfs/dbraw/zinc/11/85/23/659118523.db2.gz AWAAUFKLUZSJQO-QMMMGPOBSA-N 1 0 395.099 1.356 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H](O)c1cccc(Br)c1 ZINC000900646377 659130143 /nfs/dbraw/zinc/13/01/43/659130143.db2.gz AXINREVFNGGIQT-MRXNPFEDSA-N 1 0 384.318 1.578 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000900687205 659136460 /nfs/dbraw/zinc/13/64/60/659136460.db2.gz ROQYKFWTXUNURG-GFCCVEGCSA-N 1 0 384.322 1.348 20 0 GDADRO CCn1c(Br)ncc1C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000900694706 659138047 /nfs/dbraw/zinc/13/80/47/659138047.db2.gz IKJCYIYVDRKUTK-CYBMUJFWSA-N 1 0 386.338 1.669 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000900993130 659177883 /nfs/dbraw/zinc/17/78/83/659177883.db2.gz GRHYLTHMJLNSGK-LBPRGKRZSA-N 1 0 391.299 1.591 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CSc2ccc(S(N)(=O)=O)cc2)C1 ZINC000901135084 659195205 /nfs/dbraw/zinc/19/52/05/659195205.db2.gz KJCOGSOFMYIUKY-BBRMVZONSA-N 1 0 383.539 1.369 20 0 GDADRO O=C(NCc1ccc(Br)cc1N1CCOCC1)C12CC[NH+](CC1)C2 ZINC000901136530 659195249 /nfs/dbraw/zinc/19/52/49/659195249.db2.gz AHDRYDPYJMIIFS-UHFFFAOYSA-N 1 0 394.313 1.998 20 0 GDADRO C[NH+]1CCC2(CCCN2C(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000901284505 659207850 /nfs/dbraw/zinc/20/78/50/659207850.db2.gz FFMUGADWZBFKDH-UHFFFAOYSA-N 1 0 383.539 1.513 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cn1nc(Br)c(Br)n1 ZINC000901284327 659208103 /nfs/dbraw/zinc/20/81/03/659208103.db2.gz ARICKENGKWEWFC-HTQZYQBOSA-N 1 0 395.099 1.354 20 0 GDADRO O=C1NCC2(CC[NH+](Cn3nc(Br)c(=O)c4ccccc43)CC2)O1 ZINC000902502982 659258298 /nfs/dbraw/zinc/25/82/98/659258298.db2.gz OSHFLOUMZFCGQN-UHFFFAOYSA-N 1 0 393.241 1.691 20 0 GDADRO O=C1c2c(cccc2Br)CN1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000902642655 659269453 /nfs/dbraw/zinc/26/94/53/659269453.db2.gz BYGWNAPROFXSGY-JKSUJKDBSA-N 1 0 394.313 1.893 20 0 GDADRO O=C(c1nc2ccc(Br)cn2n1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000903035804 659291754 /nfs/dbraw/zinc/29/17/54/659291754.db2.gz QITWIJNWINYMJZ-OLZOCXBDSA-N 1 0 394.273 1.163 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000903196925 659300748 /nfs/dbraw/zinc/30/07/48/659300748.db2.gz IERPOVQSUPWSPZ-UHFFFAOYSA-N 1 0 376.548 1.588 20 0 GDADRO COc1ccc([C@H](C)[C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1OC ZINC000903224739 659303594 /nfs/dbraw/zinc/30/35/94/659303594.db2.gz BHPPWBMIQOYNJV-OLZOCXBDSA-N 1 0 392.543 1.843 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000903290846 659312443 /nfs/dbraw/zinc/31/24/43/659312443.db2.gz HRFQWDNFPXLRKT-CYBMUJFWSA-N 1 0 375.516 1.134 20 0 GDADRO O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903426043 659315661 /nfs/dbraw/zinc/31/56/61/659315661.db2.gz CIYWCTILLVDKDI-CYBMUJFWSA-N 1 0 377.432 1.764 20 0 GDADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 ZINC000903510605 659321320 /nfs/dbraw/zinc/32/13/20/659321320.db2.gz YLDOJULNOQXVIR-GFCCVEGCSA-N 1 0 379.404 1.817 20 0 GDADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 ZINC000903514712 659323694 /nfs/dbraw/zinc/32/36/94/659323694.db2.gz MIGQCSRUZBOUKY-NSHDSACASA-N 1 0 381.420 1.265 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1F ZINC000903517566 659324739 /nfs/dbraw/zinc/32/47/39/659324739.db2.gz FLKGLRQOCLLORP-WPRPVWTQSA-N 1 0 381.267 1.873 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903519555 659326905 /nfs/dbraw/zinc/32/69/05/659326905.db2.gz YTUXDCGTYWFBKO-KWQFWETISA-N 1 0 377.260 1.429 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)c1F ZINC000903522085 659328210 /nfs/dbraw/zinc/32/82/10/659328210.db2.gz KMDAKMMIVBNAOH-SECBINFHSA-N 1 0 397.266 1.335 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC000903522672 659328675 /nfs/dbraw/zinc/32/86/75/659328675.db2.gz JWTZPIDWNMBYHQ-UHFFFAOYSA-N 1 0 375.535 1.203 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903522593 659328789 /nfs/dbraw/zinc/32/87/89/659328789.db2.gz SYDVIUCMGTUBBI-MWLCHTKSSA-N 1 0 391.287 1.725 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903525187 659329600 /nfs/dbraw/zinc/32/96/00/659329600.db2.gz CBRFUSIOGOXZIL-PHIMTYICSA-N 1 0 389.271 1.444 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCCN2S(=O)(=O)Cc1ncsc1Br ZINC000903531862 659331612 /nfs/dbraw/zinc/33/16/12/659331612.db2.gz QGMGZCLICMLVCQ-SKDRFNHKSA-N 1 0 380.333 1.939 20 0 GDADRO Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903540926 659333799 /nfs/dbraw/zinc/33/37/99/659333799.db2.gz QOOJVIZGYJYQMY-UONOGXRCSA-N 1 0 382.452 1.256 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903546501 659336841 /nfs/dbraw/zinc/33/68/41/659336841.db2.gz LCJDFQNNOFLADG-MRXNPFEDSA-N 1 0 386.539 1.762 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000903548478 659337258 /nfs/dbraw/zinc/33/72/58/659337258.db2.gz UDPQVQMEZABIGP-RKDXNWHRSA-N 1 0 386.948 1.329 20 0 GDADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000903550245 659337960 /nfs/dbraw/zinc/33/79/60/659337960.db2.gz XVWGFSZOVZNODA-UHFFFAOYSA-N 1 0 380.297 1.922 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1cccc(Cl)c1Cl)C2 ZINC000903549088 659337973 /nfs/dbraw/zinc/33/79/73/659337973.db2.gz WSRGIDNLNYTHFU-WMFXKJRFSA-N 1 0 393.292 1.894 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1ccc(Cl)c(OC)c1)C2 ZINC000903553033 659338983 /nfs/dbraw/zinc/33/89/83/659338983.db2.gz ZSCHVQDEDPAQNN-USBNGQNGSA-N 1 0 388.873 1.250 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1Br ZINC000903560361 659340745 /nfs/dbraw/zinc/34/07/45/659340745.db2.gz BFPROTLCEFIGRL-JMJZKYOTSA-N 1 0 391.287 1.638 20 0 GDADRO Cc1cc(S(=O)(=O)NCCN2CCC([NH3+])CC2)c(C)cc1Br ZINC000903565664 659343026 /nfs/dbraw/zinc/34/30/26/659343026.db2.gz AVCQTJGEEBQSGT-UHFFFAOYSA-N 1 0 390.347 1.767 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000903565543 659343089 /nfs/dbraw/zinc/34/30/89/659343089.db2.gz LPRKCMWVEITBKF-UHFFFAOYSA-N 1 0 396.738 1.804 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000903568547 659343913 /nfs/dbraw/zinc/34/39/13/659343913.db2.gz ZTHVZMWBIRYQIS-AWEZNQCLSA-N 1 0 394.946 1.695 20 0 GDADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903573101 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HMUKGFXOBRUKAW-WCQGTBRESA-N 1 0 392.262 1.792 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592883 659357166 /nfs/dbraw/zinc/35/71/66/659357166.db2.gz INTYUXBMIBXFAM-ZDUSSCGKSA-N 1 0 392.262 1.808 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903597568 659357778 /nfs/dbraw/zinc/35/77/78/659357778.db2.gz YWCZWJOOASEGGE-AWEZNQCLSA-N 1 0 375.288 1.974 20 0 GDADRO CC[NH+](CC)CCOc1ccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)cc1 ZINC000903605473 659361323 /nfs/dbraw/zinc/36/13/23/659361323.db2.gz NTTCFCQSJRNBMJ-DEOSSOPVSA-N 1 0 392.547 1.638 20 0 GDADRO CCN(CCc1cccs1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903723487 659377622 /nfs/dbraw/zinc/37/76/22/659377622.db2.gz GGNGVAOMHCYVDC-QWHCGFSZSA-N 1 0 377.432 1.877 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](c3nccs3)C2)CC[C@@H]1C(F)(F)F ZINC000903775795 659380052 /nfs/dbraw/zinc/38/00/52/659380052.db2.gz GQYQNGOGCBXPQR-OUAUKWLOSA-N 1 0 376.404 1.197 20 0 GDADRO 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GDADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000907739731 659820071 /nfs/dbraw/zinc/82/00/71/659820071.db2.gz VIFDWMXOQJFHMY-UNEWFSDZSA-N 1 0 385.302 1.171 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1nscc1I ZINC000908121318 659872971 /nfs/dbraw/zinc/87/29/71/659872971.db2.gz ZXWLFPBWUVNMLY-SECBINFHSA-N 1 0 395.266 1.324 20 0 GDADRO CC[N@@H+]1CCN(C(=O)Cn2nc(Br)c(Br)n2)[C@H](C)C1 ZINC000908145139 659875923 /nfs/dbraw/zinc/87/59/23/659875923.db2.gz YNLZSMWKELFONU-MRVPVSSYSA-N 1 0 395.099 1.356 20 0 GDADRO COC(=O)C1CC2(C1)C[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)CCS2 ZINC000908256296 659887715 /nfs/dbraw/zinc/88/77/15/659887715.db2.gz DDMNZZWYJXTGHA-ISXOHVOVSA-N 1 0 390.571 1.609 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cn(C)nc1I ZINC000908306797 659895621 /nfs/dbraw/zinc/89/56/21/659895621.db2.gz OCAIMIAHCYGOAD-JTQLQIEISA-N 1 0 378.258 1.875 20 0 GDADRO O=Cc1cc(Br)cc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1 ZINC000909310700 659945206 /nfs/dbraw/zinc/94/52/06/659945206.db2.gz 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O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[C@@H]1CCOC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571265946 945527327 /nfs/dbraw/zinc/52/73/27/945527327.db2.gz LMJXEHWEPAFROT-KFZJALRRSA-N 1 0 385.472 1.347 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC001571266102 945531404 /nfs/dbraw/zinc/53/14/04/945531404.db2.gz WGDPZRHAHNDWKB-IUODEOHRSA-N 1 0 385.497 1.955 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC2(C1)CC[NH+](C[C@H]1CCOC1)CC2 ZINC001571266782 945552761 /nfs/dbraw/zinc/55/27/61/945552761.db2.gz ZDRCPHMQXPDFKL-CQSZACIVSA-N 1 0 385.472 1.159 20 0 GDADRO O=C(c1ncc(F)cc1F)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571267466 945570698 /nfs/dbraw/zinc/57/06/98/945570698.db2.gz VWCGWBNVXDIKMN-LLVKDONJSA-N 1 0 386.366 1.074 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)C1=CCOCC1 ZINC001571268396 945593636 /nfs/dbraw/zinc/59/36/36/945593636.db2.gz FSXPKTZTEBNZGW-UHFFFAOYSA-N 1 0 386.431 1.433 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)[C@]12C[C@H]1COC2 ZINC001571269257 945615510 /nfs/dbraw/zinc/61/55/10/945615510.db2.gz TUVBBCOZEPQUEO-DCFBYQPESA-N 1 0 386.431 1.027 20 0 GDADRO C[N@@H+](Cc1ccns1)CC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571271348 945642327 /nfs/dbraw/zinc/64/23/27/945642327.db2.gz ARHUKCDZFDQXFB-UHFFFAOYSA-N 1 0 386.485 1.636 20 0 GDADRO Cn1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001571271426 945643969 /nfs/dbraw/zinc/64/39/69/945643969.db2.gz CJRUCGVRQBKZGI-GFCCVEGCSA-N 1 0 386.485 1.446 20 0 GDADRO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C)sn1 ZINC001571271685 945647855 /nfs/dbraw/zinc/64/78/55/945647855.db2.gz HESWZFLBJCZIBK-IINYFYTJSA-N 1 0 386.485 1.600 20 0 GDADRO Cc1ncsc1C[NH+]1CCC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571272309 945660405 /nfs/dbraw/zinc/66/04/05/945660405.db2.gz RGHQLACBSHRJPV-UHFFFAOYSA-N 1 0 386.485 1.602 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)C(C)(C)C ZINC001571272620 945666910 /nfs/dbraw/zinc/66/69/10/945666910.db2.gz XMHDCGPKMXQOKZ-WMLDXEAASA-N 1 0 386.500 1.866 20 0 GDADRO Cc1nn(C)cc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H]1C ZINC001571272678 945669251 /nfs/dbraw/zinc/66/92/51/945669251.db2.gz YGYDOWSVZNBHMQ-BXUZGUMPSA-N 1 0 386.485 1.363 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)cc2F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571275613 945709642 /nfs/dbraw/zinc/70/96/42/945709642.db2.gz YTJZSNITBCSIGM-MEBBXXQBSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC001571275638 945711875 /nfs/dbraw/zinc/71/18/75/945711875.db2.gz ZUZHHYRBYWLAFM-BONVTDFDSA-N 1 0 387.394 1.723 20 0 GDADRO C[C@]1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@H+](CCCC2CCOCC2)C1 ZINC001571281055 945797660 /nfs/dbraw/zinc/79/76/60/945797660.db2.gz BLDGNHUARZVIMK-IBGZPJMESA-N 1 0 387.488 1.596 20 0 GDADRO Cc1conc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C(C)(C)C1 ZINC001571281742 945815011 /nfs/dbraw/zinc/81/50/11/945815011.db2.gz MWTIYPUTBNPJKO-ZDUSSCGKSA-N 1 0 387.469 1.865 20 0 GDADRO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2Cc2cc(F)ccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001571281809 945816091 /nfs/dbraw/zinc/81/60/91/945816091.db2.gz OLPBHZMMCZJCBN-DAXOMENPSA-N 1 0 387.463 1.037 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571281987 945824799 /nfs/dbraw/zinc/82/47/99/945824799.db2.gz QPXCMIFVIGFGCP-CJNGLKHVSA-N 1 0 387.488 1.274 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282130 945832609 /nfs/dbraw/zinc/83/26/09/945832609.db2.gz DUICXFFKCTZJMB-QGZVFWFLSA-N 1 0 387.463 1.179 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)no1 ZINC001571282408 945842485 /nfs/dbraw/zinc/84/24/85/945842485.db2.gz XPUNXVKHKSRPMS-GFCCVEGCSA-N 1 0 387.469 1.961 20 0 GDADRO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC001571282389 945842625 /nfs/dbraw/zinc/84/26/25/945842625.db2.gz XBZRIIYJEVNXKV-UKRRQHHQSA-N 1 0 387.488 1.452 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)no1 ZINC001571282409 945843008 /nfs/dbraw/zinc/84/30/08/945843008.db2.gz XPUNXVKHKSRPMS-LBPRGKRZSA-N 1 0 387.469 1.961 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1cscn1 ZINC001571282538 945849411 /nfs/dbraw/zinc/84/94/11/945849411.db2.gz JRXWHYBVLREBMO-MJHDQNEOSA-N 1 0 387.444 1.761 20 0 GDADRO CN(C(=O)C[NH+]1CCCC1)C1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC001571282924 945868748 /nfs/dbraw/zinc/86/87/48/945868748.db2.gz VURAWYVGNBELSF-UHFFFAOYSA-N 1 0 387.463 1.529 20 0 GDADRO CC[C@@H](C(=O)N1CCC(CC)(Nc2cncc(-c3nn[nH]n3)n2)CC1)[NH+](C)C ZINC001571283374 945884679 /nfs/dbraw/zinc/88/46/79/945884679.db2.gz DKAOXKKXHYWRFQ-AWEZNQCLSA-N 1 0 387.492 1.180 20 0 GDADRO CCC(CC)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(-c3nn[nH]n3)[nH]1)O2 ZINC001571283742 945890026 /nfs/dbraw/zinc/89/00/26/945890026.db2.gz JABNNKPXQWRNPU-AWEZNQCLSA-N 1 0 387.488 1.594 20 0 GDADRO CCC(CC)C(=O)N1CCO[C@H]([C@@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571284643 945902470 /nfs/dbraw/zinc/90/24/70/945902470.db2.gz RUPAZLLWFOJLGY-DYVFJYSZSA-N 1 0 387.488 1.456 20 0 GDADRO CCC(CC)C(=O)N1CCO[C@@H]([C@@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571284642 945903265 /nfs/dbraw/zinc/90/32/65/945903265.db2.gz RUPAZLLWFOJLGY-CXAGYDPISA-N 1 0 387.488 1.456 20 0 GDADRO CO[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCC1 ZINC001571284419 945903643 /nfs/dbraw/zinc/90/36/43/945903643.db2.gz QHIZZMICLHLYOO-PBHICJAKSA-N 1 0 387.488 1.594 20 0 GDADRO Cc1oc(NC(=O)CN2CC[N@H+](C3CCCC3)[C@H](C)C2)c(-c2nn[nH]n2)c1C ZINC001571284885 945907714 /nfs/dbraw/zinc/90/77/14/945907714.db2.gz VSGCDUBQXASJIZ-GFCCVEGCSA-N 1 0 387.488 1.964 20 0 GDADRO O=C([C@H]1CC1(F)F)N1CCC2(C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001571286194 945940119 /nfs/dbraw/zinc/94/01/19/945940119.db2.gz AKRUZPFLZZQGDQ-OAHLLOKOSA-N 1 0 388.422 1.946 20 0 GDADRO Cc1cc(=O)c(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c[nH]1 ZINC000822161650 945967184 /nfs/dbraw/zinc/96/71/84/945967184.db2.gz ROJSEPLOMQPBCS-UHFFFAOYSA-N 1 0 381.440 1.067 20 0 GDADRO CC1(C)CN(C(=O)[C@@H]2CCOC2)C[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571287270 945969805 /nfs/dbraw/zinc/96/98/05/945969805.db2.gz CDIZLULOMBHCEE-CJNGLKHVSA-N 1 0 388.447 1.369 20 0 GDADRO O=C(CC[C@@H]1CCOC1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287249 945970504 /nfs/dbraw/zinc/97/05/04/945970504.db2.gz BQMOSWIGEMYFRG-CJNGLKHVSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287430 945972443 /nfs/dbraw/zinc/97/24/43/945972443.db2.gz DJLQWDRUMWASGL-NMFUWQPSSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571288073 945982467 /nfs/dbraw/zinc/98/24/67/945982467.db2.gz LVURJRTZCMPMGN-CSMYWGQOSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(CC1(O)CCC1)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571288292 945986748 /nfs/dbraw/zinc/98/67/48/945986748.db2.gz NNHHHMMEAYEMHO-CYBMUJFWSA-N 1 0 388.447 1.249 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571288536 945988487 /nfs/dbraw/zinc/98/84/87/945988487.db2.gz PYHSTDPMRBAEBE-HUUCEWRRSA-N 1 0 388.447 1.513 20 0 GDADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC001571288721 945990010 /nfs/dbraw/zinc/99/00/10/945990010.db2.gz RWYROJQUJHBRDQ-JKSUJKDBSA-N 1 0 388.447 1.608 20 0 GDADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC001571288719 945990097 /nfs/dbraw/zinc/99/00/97/945990097.db2.gz RWYROJQUJHBRDQ-HOTGVXAUSA-N 1 0 388.447 1.608 20 0 GDADRO O=C(N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@]1(F)CCOC1 ZINC001571288566 945990158 /nfs/dbraw/zinc/99/01/58/945990158.db2.gz QPLZJIBVENLKDU-VQIMIIECSA-N 1 0 388.447 1.466 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571288726 945990840 /nfs/dbraw/zinc/99/08/40/945990840.db2.gz RXVBMJPJIIGXTI-WMLDXEAASA-N 1 0 388.447 1.464 20 0 GDADRO O=C([C@@H]1CCOC1)N1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571289230 945997926 /nfs/dbraw/zinc/99/79/26/945997926.db2.gz XSCAMOOVQWQRHT-UONOGXRCSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)C1CCOCC1 ZINC001571289303 946000498 /nfs/dbraw/zinc/00/04/98/946000498.db2.gz ZILHPDJLICGDOQ-SJKOYZFVSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571289316 946002577 /nfs/dbraw/zinc/00/25/77/946002577.db2.gz ZNMABGSLZTXCLZ-RZFFKMDDSA-N 1 0 388.447 1.415 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H](C)OC)C2)cc1-c1nn[nH]n1 ZINC001571289430 946007489 /nfs/dbraw/zinc/00/74/89/946007489.db2.gz CVTTXTZVQMYEDL-UKRRQHHQSA-N 1 0 388.472 1.238 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571289548 946008901 /nfs/dbraw/zinc/00/89/01/946008901.db2.gz HJDUJTVYGIRQDJ-KPZWWZAWSA-N 1 0 388.451 1.003 20 0 GDADRO COc1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)sn1 ZINC001571289559 946009381 /nfs/dbraw/zinc/00/93/81/946009381.db2.gz HMAXJEYJGICKAG-ONGXEEELSA-N 1 0 388.457 1.053 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2 ZINC001571289916 946022798 /nfs/dbraw/zinc/02/27/98/946022798.db2.gz PQQDIZSGLSCENL-CYBMUJFWSA-N 1 0 388.497 1.389 20 0 GDADRO C[N@H+]1C[C@]23CN(S(=O)(=O)c4ccc(-c5nn[nH]n5)cc4)C[C@@]2(C1)CCCC3 ZINC001571290089 946028652 /nfs/dbraw/zinc/02/86/52/946028652.db2.gz VBYNQTGFHWKEEH-HDICACEKSA-N 1 0 388.497 1.363 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1-c1nn[nH]n1 ZINC000822315083 946051139 /nfs/dbraw/zinc/05/11/39/946051139.db2.gz YXKRDCVRRNOOOF-CABCVRRESA-N 1 0 397.483 1.587 20 0 GDADRO O=C(N[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2)C1CC(F)(F)C1 ZINC001571292385 946096664 /nfs/dbraw/zinc/09/66/64/946096664.db2.gz YRQYQNHCHKVBQK-UONOGXRCSA-N 1 0 389.410 1.568 20 0 GDADRO Cc1cnccc1C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571294165 946128002 /nfs/dbraw/zinc/12/80/02/946128002.db2.gz BVIIUNUTGPLWSF-UHFFFAOYSA-N 1 0 389.463 1.918 20 0 GDADRO O=C(c1cc(Cl)c[nH]1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571295108 946154779 /nfs/dbraw/zinc/15/47/79/946154779.db2.gz TUMQIINXHWBZQW-ZDUSSCGKSA-N 1 0 389.822 1.992 20 0 GDADRO CC(C)[C@H](F)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571298079 946206016 /nfs/dbraw/zinc/20/60/16/946206016.db2.gz JDMAFKJDWRNFRG-RDJZCZTQSA-N 1 0 390.463 1.568 20 0 GDADRO O=C(N[C@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2)c1cncnc1 ZINC001571298246 946211340 /nfs/dbraw/zinc/21/13/40/946211340.db2.gz LDAAATSRVLVPPP-XLIONFOSSA-N 1 0 390.451 1.584 20 0 GDADRO C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571298502 946219296 /nfs/dbraw/zinc/21/92/96/946219296.db2.gz PMNVTDZEAOVKGI-NXEZZACHSA-N 1 0 390.498 1.278 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2-c2nn[nH]n2)ncn1 ZINC001571298554 946220795 /nfs/dbraw/zinc/22/07/95/946220795.db2.gz GVACPXMJAVAKLY-KYJSFNMBSA-N 1 0 390.451 1.500 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001571298547 946220863 /nfs/dbraw/zinc/22/08/63/946220863.db2.gz ASYHXGATLNYHHX-FZKQIMNGSA-N 1 0 390.513 1.683 20 0 GDADRO Cc1nsc(NC[C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)c1-c1nn[nH]n1 ZINC001571299225 946243999 /nfs/dbraw/zinc/24/39/99/946243999.db2.gz JYVGIHYPERJYEC-DGCLKSJQSA-N 1 0 390.517 1.376 20 0 GDADRO CC[C@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001571299220 946244097 /nfs/dbraw/zinc/24/40/97/946244097.db2.gz UYJYNKWAPWDEBE-XPKDYRNWSA-N 1 0 390.463 1.808 20 0 GDADRO CC[C@@H](OC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571299740 946258703 /nfs/dbraw/zinc/25/87/03/946258703.db2.gz OZWFNEJKENJFAC-RDTXWAMCSA-N 1 0 390.513 1.778 20 0 GDADRO Cc1nsc(N2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)c1-c1nn[nH]n1 ZINC001571299736 946259924 /nfs/dbraw/zinc/25/99/24/946259924.db2.gz OZVCLZWAEYUAQI-NSHDSACASA-N 1 0 390.517 1.058 20 0 GDADRO C[C@H]1CN(C(=O)c2nc(Cl)cs2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571299892 946264043 /nfs/dbraw/zinc/26/40/43/946264043.db2.gz QGDQUNQHXIQOMO-KWQFWETISA-N 1 0 390.860 1.366 20 0 GDADRO Cc1nsc(N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)c1-c1nn[nH]n1 ZINC001571300314 946280358 /nfs/dbraw/zinc/28/03/58/946280358.db2.gz ZJYZDZBMUBJOAJ-ZWNOBZJWSA-N 1 0 390.517 1.232 20 0 GDADRO O=C(c1ccoc1C1CC1)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571302734 946313446 /nfs/dbraw/zinc/31/34/46/946313446.db2.gz AHYFNZAWWZOFPS-OKILXGFUSA-N 1 0 391.435 1.941 20 0 GDADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1sccc1-c1nn[nH]n1 ZINC000823171276 946336214 /nfs/dbraw/zinc/33/62/14/946336214.db2.gz SFYIULVHMJLHMI-SFHVURJKSA-N 1 0 384.465 1.295 20 0 GDADRO C[C@]12CN(C(=O)Cc3ccc[nH]3)C[C@H]1C[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571305908 946377826 /nfs/dbraw/zinc/37/78/26/946377826.db2.gz DBFPDXPSAKZMHH-IERDGZPVSA-N 1 0 391.479 1.718 20 0 GDADRO CN(C)c1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC001571305944 946382836 /nfs/dbraw/zinc/38/28/36/946382836.db2.gz FHEMKVQPTWLARB-HDICACEKSA-N 1 0 391.479 1.983 20 0 GDADRO C[C@@H](NC(=O)c1cc2c([nH]1)CCC2)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571306200 946390027 /nfs/dbraw/zinc/39/00/27/946390027.db2.gz INXKISCZSUTSME-CYBMUJFWSA-N 1 0 391.479 1.934 20 0 GDADRO Cc1ccn(C)c1C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571306431 946400502 /nfs/dbraw/zinc/40/05/02/946400502.db2.gz KSJDYQVUTWYVOG-UHFFFAOYSA-N 1 0 391.479 1.862 20 0 GDADRO CC1(C)CN(C(=O)Cc2cccnc2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571307009 946413987 /nfs/dbraw/zinc/41/39/87/946413987.db2.gz TXWLVMNVZUFWIL-GOSISDBHSA-N 1 0 391.479 1.831 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001571310774 946477049 /nfs/dbraw/zinc/47/70/49/946477049.db2.gz MLIKGCFPJWGNIB-GDBMZVCRSA-N 1 0 392.467 1.675 20 0 GDADRO C[C@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571312740 946499667 /nfs/dbraw/zinc/49/96/67/946499667.db2.gz CEFCPPJEMDKFBI-KSSFIOAISA-N 1 0 392.467 1.226 20 0 GDADRO CCCc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)[nH]n1 ZINC001571312798 946502811 /nfs/dbraw/zinc/50/28/11/946502811.db2.gz DDYIEAZOLHSKFK-VQFNDLOPSA-N 1 0 392.467 1.403 20 0 GDADRO CCc1ncncc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571312975 946507395 /nfs/dbraw/zinc/50/73/95/946507395.db2.gz GMYOJEFNHORIBN-OAHLLOKOSA-N 1 0 392.467 1.566 20 0 GDADRO CCn1nccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001571313727 946529890 /nfs/dbraw/zinc/52/98/90/946529890.db2.gz UTQVXVNTIATDSY-CALCHBBNSA-N 1 0 392.467 1.287 20 0 GDADRO CCc1cncc(C(=O)N[C@@]2(C)CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571314004 946539860 /nfs/dbraw/zinc/53/98/60/946539860.db2.gz YQJPNTYTWSHJPC-FQEVSTJZSA-N 1 0 392.467 1.926 20 0 GDADRO Cc1cc(C)nc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001571315187 946550843 /nfs/dbraw/zinc/55/08/43/946550843.db2.gz HBAPGIKCMLYWDP-GDBMZVCRSA-N 1 0 392.467 1.706 20 0 GDADRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccn(C)c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315480 946555107 /nfs/dbraw/zinc/55/51/07/946555107.db2.gz LUCJQLNUQIREGI-CVEARBPZSA-N 1 0 392.467 1.792 20 0 GDADRO Cc1cc(N(C)[C@H]2CCCN(C(=O)Cc3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316049 946564600 /nfs/dbraw/zinc/56/46/00/946564600.db2.gz SLCPRXQBNKXTKZ-INIZCTEOSA-N 1 0 392.467 1.635 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)Cc3cccnc3C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316169 946569949 /nfs/dbraw/zinc/56/99/49/946569949.db2.gz VJJMATJGJHPEHW-XIKOKIGWSA-N 1 0 392.467 1.197 20 0 GDADRO Cn1nccc1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571316439 946575713 /nfs/dbraw/zinc/57/57/13/946575713.db2.gz CNSMMMLIEUESQC-HXUWFJFHSA-N 1 0 392.467 1.338 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cncnc1 ZINC001571316883 946593539 /nfs/dbraw/zinc/59/35/39/946593539.db2.gz OXOKDXXDXDZTON-FUHWJXTLSA-N 1 0 392.467 1.735 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn2c1CCCC2 ZINC001571317044 946597550 /nfs/dbraw/zinc/59/75/50/946597550.db2.gz SWAHGZNUIVVXBC-INIZCTEOSA-N 1 0 392.467 1.404 20 0 GDADRO O=C(Cc1ncc[nH]1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571317075 946598115 /nfs/dbraw/zinc/59/81/15/946598115.db2.gz UWCWQJQVQJESII-IRXDYDNUSA-N 1 0 392.467 1.398 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC001571317297 946606052 /nfs/dbraw/zinc/60/60/52/946606052.db2.gz BJCZLCVWXQFZHK-UFBFGSQYSA-N 1 0 392.876 1.555 20 0 GDADRO O=C(c1c[nH]nc1C1CC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317383 946608386 /nfs/dbraw/zinc/60/83/86/946608386.db2.gz FTNAMPPJSVTSMP-MRXNPFEDSA-N 1 0 392.467 1.862 20 0 GDADRO Cc1[nH]nc(Cl)c1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571317372 946609284 /nfs/dbraw/zinc/60/92/84/946609284.db2.gz FJRSQUWYWXEVNH-VIFPVBQESA-N 1 0 392.876 1.617 20 0 GDADRO CC[C@H](C(=O)N1CC[C@@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1)[NH+](C)C ZINC001571317952 946623547 /nfs/dbraw/zinc/62/35/47/946623547.db2.gz ZVJXCUOTUPMALK-SMDDNHRTSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@H](CC[S@](C)=O)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824406190 946686154 /nfs/dbraw/zinc/68/61/54/946686154.db2.gz FKNJUQIJUALNSE-PTFIGZPYSA-N 1 0 376.530 1.578 20 0 GDADRO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573537764 946757207 /nfs/dbraw/zinc/75/72/07/946757207.db2.gz KTWFHMHYMXZQNH-DYVFJYSZSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568732 946807653 /nfs/dbraw/zinc/80/76/53/946807653.db2.gz CKJLHQSOAXONSA-BXUZGUMPSA-N 1 0 393.494 1.414 20 0 GDADRO C[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824613930 946863659 /nfs/dbraw/zinc/86/36/59/946863659.db2.gz YNHCOXGRFWESBE-FKIZINRSSA-N 1 0 391.435 1.772 20 0 GDADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000824728694 946914498 /nfs/dbraw/zinc/91/44/98/946914498.db2.gz GQFQIRNSFOXYNF-RHSMWYFYSA-N 1 0 384.484 1.824 20 0 GDADRO CC(=O)c1nc(CC[N@H+](C)CCOCc2ccc(-c3nn[nH]n3)cc2)[nH]c1C ZINC001573558283 946937585 /nfs/dbraw/zinc/93/75/85/946937585.db2.gz IMLSHPXDUPXGLU-UHFFFAOYSA-N 1 0 383.456 1.792 20 0 GDADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H]1O ZINC000825210198 947120412 /nfs/dbraw/zinc/12/04/12/947120412.db2.gz FWBJGPIGENMTFW-PWSUYJOCSA-N 1 0 376.486 1.448 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3noc(C)c3-c3nn[nH]n3)cc2)CC1 ZINC000825465932 947197833 /nfs/dbraw/zinc/19/78/33/947197833.db2.gz SOIFVWGREDFSRO-UHFFFAOYSA-N 1 0 396.455 1.486 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)c1cccc(F)c1 ZINC001573585618 947263865 /nfs/dbraw/zinc/26/38/65/947263865.db2.gz HGVDQVLFAXHHDL-QWHCGFSZSA-N 1 0 383.431 1.885 20 0 GDADRO C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573586363 947285404 /nfs/dbraw/zinc/28/54/04/947285404.db2.gz OXGLZXDPAKNVNT-ZIAGYGMSSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573586610 947290287 /nfs/dbraw/zinc/29/02/87/947290287.db2.gz RRZPJRDRCZKIKW-KBPBESRZSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573591987 947324676 /nfs/dbraw/zinc/32/46/76/947324676.db2.gz HUEXLVDPKBKUTE-RHSMWYFYSA-N 1 0 388.516 1.800 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573594493 947399409 /nfs/dbraw/zinc/39/94/09/947399409.db2.gz BFUUUYUJFBMTAS-OCCSQVGLSA-N 1 0 392.479 1.597 20 0 GDADRO C[C@@H](C(=O)N(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573594729 947405237 /nfs/dbraw/zinc/40/52/37/947405237.db2.gz RLTKBNBFQCIQGR-FZKQIMNGSA-N 1 0 392.467 1.531 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573594731 947405736 /nfs/dbraw/zinc/40/57/36/947405736.db2.gz RLTKBNBFQCIQGR-UGSOOPFHSA-N 1 0 392.467 1.531 20 0 GDADRO C[NH+]1CCC(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[nH]n3)n2)CC1 ZINC000826022280 947407008 /nfs/dbraw/zinc/40/70/08/947407008.db2.gz IGPUVFPPVDIAFX-UHFFFAOYSA-N 1 0 386.847 1.986 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573595066 947414848 /nfs/dbraw/zinc/41/48/48/947414848.db2.gz FKUDTIXDCLSUJO-SWLSCSKDSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCO1 ZINC001573595148 947415833 /nfs/dbraw/zinc/41/58/33/947415833.db2.gz FTNHUKPFGJGTHF-MAUKXSAKSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(C)C ZINC001573597791 947439389 /nfs/dbraw/zinc/43/93/89/947439389.db2.gz ONOZANIMIBCNGT-NWDGAFQWSA-N 1 0 380.518 1.519 20 0 GDADRO COC(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826133973 947445967 /nfs/dbraw/zinc/44/59/67/947445967.db2.gz RBUSHVWJDIFWOC-UHFFFAOYSA-N 1 0 381.440 1.652 20 0 GDADRO COC1(C[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOCC1 ZINC000826143585 947449226 /nfs/dbraw/zinc/44/92/26/947449226.db2.gz HAMSTBZDTGUODN-UHFFFAOYSA-N 1 0 386.500 1.616 20 0 GDADRO C[C@H](C(=O)N(C)CCOCCNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573604229 947507673 /nfs/dbraw/zinc/50/76/73/947507673.db2.gz MSZVTIGVAXJRRI-CYBMUJFWSA-N 1 0 375.477 1.253 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccc1 ZINC001573604432 947511387 /nfs/dbraw/zinc/51/13/87/947511387.db2.gz TWZLFAJACHQUOR-CQSZACIVSA-N 1 0 385.447 1.959 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000826170031 947531027 /nfs/dbraw/zinc/53/10/27/947531027.db2.gz MSGXVFGCBTUGQA-LLVKDONJSA-N 1 0 388.453 1.374 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)C(C)(F)F ZINC001573613477 947562486 /nfs/dbraw/zinc/56/24/86/947562486.db2.gz AYZTVLKGDHCVEL-ZWNOBZJWSA-N 1 0 379.415 1.624 20 0 GDADRO C[C@H](C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573614148 947577633 /nfs/dbraw/zinc/57/76/33/947577633.db2.gz CJDTUUSVVSLDKR-DJJJIMSYSA-N 1 0 381.440 1.731 20 0 GDADRO C[C@@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2)n1cccn1 ZINC001573614636 947587931 /nfs/dbraw/zinc/58/79/31/947587931.db2.gz NSWUBXCPACRFPG-HNNXBMFYSA-N 1 0 392.467 1.359 20 0 GDADRO C[C@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2)n1cccc1 ZINC001573614747 947590526 /nfs/dbraw/zinc/59/05/26/947590526.db2.gz OSRXALVPXQVZCU-MRXNPFEDSA-N 1 0 391.479 1.964 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573614828 947593707 /nfs/dbraw/zinc/59/37/07/947593707.db2.gz HRFWZWBCYUKBQC-ZIAGYGMSSA-N 1 0 385.497 1.929 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573618448 947653415 /nfs/dbraw/zinc/65/34/15/947653415.db2.gz SDDDAIZMKUTMNV-HOTGVXAUSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573619231 947661619 /nfs/dbraw/zinc/66/16/19/947661619.db2.gz UZPVYFLMVHLLHQ-YJBOKZPZSA-N 1 0 379.468 1.962 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1C ZINC001573367472 947760372 /nfs/dbraw/zinc/76/03/72/947760372.db2.gz DAYCNZGRUJHZQD-LRDDRELGSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573367634 947761256 /nfs/dbraw/zinc/76/12/56/947761256.db2.gz GDBYURCTUZTJIJ-UKRRQHHQSA-N 1 0 385.472 1.339 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1 ZINC001573367749 947763825 /nfs/dbraw/zinc/76/38/25/947763825.db2.gz HONVEJBTLBBJCK-SJCJKPOMSA-N 1 0 388.447 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573367748 947763963 /nfs/dbraw/zinc/76/39/63/947763963.db2.gz HONVEJBTLBBJCK-PXAZEXFGSA-N 1 0 388.447 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001573369910 947779540 /nfs/dbraw/zinc/77/95/40/947779540.db2.gz ZJALIOMTBQYZBV-SJCJKPOMSA-N 1 0 388.447 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)[C@@H]1C ZINC001573372690 947781687 /nfs/dbraw/zinc/78/16/87/947781687.db2.gz CCLRSJRGPWDFLB-SUMWQHHRSA-N 1 0 388.447 1.844 20 0 GDADRO C[C@H](C(=O)N1CCCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573637408 947813573 /nfs/dbraw/zinc/81/35/73/947813573.db2.gz BWPURGFXDIUGAF-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(C)(F)F ZINC001573645962 947872161 /nfs/dbraw/zinc/87/21/61/947872161.db2.gz FDLUMEKPLIWUNP-GWCFXTLKSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)c1cccnc1 ZINC001573647038 947882830 /nfs/dbraw/zinc/88/28/30/947882830.db2.gz AXILAPSTKWBIHL-IJEWVQPXSA-N 1 0 392.467 1.389 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573383173 947890183 /nfs/dbraw/zinc/89/01/83/947890183.db2.gz OPANIPGQPSYPIS-OAHLLOKOSA-N 1 0 388.447 1.703 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573383469 947892593 /nfs/dbraw/zinc/89/25/93/947892593.db2.gz SDSUNIOEOSGCPD-AWEZNQCLSA-N 1 0 388.447 1.703 20 0 GDADRO Cc1ccnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c1-c1nn[nH]n1 ZINC000826310640 947896558 /nfs/dbraw/zinc/89/65/58/947896558.db2.gz CELUVRDOJUGDOJ-UHFFFAOYSA-N 1 0 385.394 1.661 20 0 GDADRO Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826346311 948038400 /nfs/dbraw/zinc/03/84/00/948038400.db2.gz JGPLRYMOOBHTEK-XJKSGUPXSA-N 1 0 395.467 1.875 20 0 GDADRO Cc1onc(CC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826346723 948042294 /nfs/dbraw/zinc/04/22/94/948042294.db2.gz UMTVMCVCFCRBOV-DOMZBBRYSA-N 1 0 381.440 1.485 20 0 GDADRO Cc1onc(CC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826346617 948044240 /nfs/dbraw/zinc/04/42/40/948044240.db2.gz QRFMTADUWLKESW-SWLSCSKDSA-N 1 0 381.440 1.657 20 0 GDADRO Cc1onc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000826347602 948057973 /nfs/dbraw/zinc/05/79/73/948057973.db2.gz XITXEHDYDSVSRA-CYBMUJFWSA-N 1 0 387.469 1.720 20 0 GDADRO CC(=O)N(Cc1ccccn1)C1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573415425 948109335 /nfs/dbraw/zinc/10/93/35/948109335.db2.gz RSKCKFFTFOKZIX-UHFFFAOYSA-N 1 0 392.467 1.983 20 0 GDADRO C[C@@H](C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573677238 948132690 /nfs/dbraw/zinc/13/26/90/948132690.db2.gz WWHDYEMLDSWICP-CYBMUJFWSA-N 1 0 378.440 1.545 20 0 GDADRO CC(=O)N1C[C@H](C)OC2(CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573426448 948157200 /nfs/dbraw/zinc/15/72/00/948157200.db2.gz LMHBFIZMXUTFGH-ZDUSSCGKSA-N 1 0 388.447 1.608 20 0 GDADRO CC(=O)N1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@H](C(F)(F)F)C1 ZINC001573426967 948161990 /nfs/dbraw/zinc/16/19/90/948161990.db2.gz RTWBJQLDDWVJOL-QWHCGFSZSA-N 1 0 386.353 1.752 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C ZINC001573681003 948193597 /nfs/dbraw/zinc/19/35/97/948193597.db2.gz RMBUIHPTGYVVCF-SMDDNHRTSA-N 1 0 378.452 1.255 20 0 GDADRO NC(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826390163 948198335 /nfs/dbraw/zinc/19/83/35/948198335.db2.gz RJCJTWUUZCOPBX-FUHWJXTLSA-N 1 0 383.500 1.465 20 0 GDADRO CC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001573439664 948248863 /nfs/dbraw/zinc/24/88/63/948248863.db2.gz OIVJZRKUCZXXCH-INIZCTEOSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)nc2)CC1)[NH+]1CCCCCC1 ZINC001573691984 948253217 /nfs/dbraw/zinc/25/32/17/948253217.db2.gz KHBMIFIOAABOFR-CQSZACIVSA-N 1 0 384.488 1.587 20 0 GDADRO C[C@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1)C1CCC1 ZINC001573692088 948254312 /nfs/dbraw/zinc/25/43/12/948254312.db2.gz LIAJAHXVYZIXET-ZDUSSCGKSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCCC1 ZINC001573692067 948254670 /nfs/dbraw/zinc/25/46/70/948254670.db2.gz MIOVFPNDORXDBG-LRDDRELGSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCOCC1)C1CC1 ZINC001573692156 948257132 /nfs/dbraw/zinc/25/71/32/948257132.db2.gz MLFMWUVTDGDRSN-CQSZACIVSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C1CCC1 ZINC001573694636 948296871 /nfs/dbraw/zinc/29/68/71/948296871.db2.gz CRMDXVOGXKVTPH-KPZWWZAWSA-N 1 0 390.513 1.417 20 0 GDADRO O=C1[C@@H](N2CC[C@H](C[NH+]3CCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476377 948380320 /nfs/dbraw/zinc/38/03/20/948380320.db2.gz GGMXLXAZUREIMM-APWZRJJASA-N 1 0 395.511 1.780 20 0 GDADRO O=C1[C@@H]([NH+]2CCC3(CCOC3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476811 948385440 /nfs/dbraw/zinc/38/54/40/948385440.db2.gz PRDFDNMHDXLYSZ-KRWDZBQOSA-N 1 0 382.468 1.865 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@H]2Cn2cccn2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477159 948387487 /nfs/dbraw/zinc/38/74/87/948387487.db2.gz WSWNZVDEUQFDGO-QZTJIDSGSA-N 1 0 392.467 1.723 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCCO1)C1CC1 ZINC001573705937 948409670 /nfs/dbraw/zinc/40/96/70/948409670.db2.gz HNVPFMDMNSMWRT-KDOFPFPSSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573708570 948453150 /nfs/dbraw/zinc/45/31/50/948453150.db2.gz VUMFPHUYPSCVGD-KGLIPLIRSA-N 1 0 378.440 1.403 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCCO1)C1CC1 ZINC001573708701 948458270 /nfs/dbraw/zinc/45/82/70/948458270.db2.gz XIILOGQVZHNZQA-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CCNC(=O)[C@H](C)n1cccn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573717315 948506899 /nfs/dbraw/zinc/50/68/99/948506899.db2.gz LEJSVQDRCQKNJM-STQMWFEESA-N 1 0 386.435 1.448 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[C@@H]1CCCO1 ZINC001573720924 948536814 /nfs/dbraw/zinc/53/68/14/948536814.db2.gz SXQGZTYNQMWYSI-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1CCCO1 ZINC001573729986 948573287 /nfs/dbraw/zinc/57/32/87/948573287.db2.gz XNCMCPBFDPGGSD-CXTNEJHOSA-N 1 0 390.513 1.728 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573730071 948575099 /nfs/dbraw/zinc/57/50/99/948575099.db2.gz LTUUSKNDGNHVKN-MGPQQGTHSA-N 1 0 385.497 1.975 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573730562 948582644 /nfs/dbraw/zinc/58/26/44/948582644.db2.gz RCGQYUTZDVCPPT-QGPMSJSTSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)CNc1ncc(-c2nn[nH]n2)cc1F)[NH+]1CCCCCC1 ZINC001573732502 948602999 /nfs/dbraw/zinc/60/29/99/948602999.db2.gz PSTUWTIQMFRAHQ-QWHCGFSZSA-N 1 0 390.467 1.582 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573747468 948691803 /nfs/dbraw/zinc/69/18/03/948691803.db2.gz PFTNOCRGXBHXJW-QGPMSJSTSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)n1cccc1 ZINC001573749299 948700056 /nfs/dbraw/zinc/70/00/56/948700056.db2.gz XVFLRJHZOFFICC-VBNZEHGJSA-N 1 0 383.431 1.805 20 0 GDADRO C[C@@H](CNC(=O)CCc1c[nH]cn1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574914491 948750719 /nfs/dbraw/zinc/75/07/19/948750719.db2.gz KZZHPQLIUXDQAP-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO CC(C)c1ccc(C(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)nc1 ZINC001574416488 948750857 /nfs/dbraw/zinc/75/08/57/948750857.db2.gz VJFDWXBAYPWASJ-UHFFFAOYSA-N 1 0 380.456 1.989 20 0 GDADRO C[C@H](C(=O)Nc1n[nH]c(-c2cccc(-c3nn[nH]n3)c2)n1)[NH+]1CCCCCC1 ZINC001573755727 948779470 /nfs/dbraw/zinc/77/94/70/948779470.db2.gz TUCDHHAKRMFJKA-GFCCVEGCSA-N 1 0 381.444 1.855 20 0 GDADRO CC(C)[C@@H](F)C(=O)NCC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001574081466 948831007 /nfs/dbraw/zinc/83/10/07/948831007.db2.gz SWNDVJIMGYBVJZ-XJKCOSOUSA-N 1 0 375.452 1.834 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001574918482 948845192 /nfs/dbraw/zinc/84/51/92/948845192.db2.gz LGZFEHDITOFPTP-OAHLLOKOSA-N 1 0 386.504 1.692 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574684261 948858825 /nfs/dbraw/zinc/85/88/25/948858825.db2.gz CPDQRYKJBXJTHR-NWDGAFQWSA-N 1 0 376.440 1.049 20 0 GDADRO CC(C)(C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573765394 948909433 /nfs/dbraw/zinc/90/94/33/948909433.db2.gz BSNJVVPDPRJTAP-INIZCTEOSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574685433 948909683 /nfs/dbraw/zinc/90/96/83/948909683.db2.gz VZIXPGDVMHUXJI-WDEREUQCSA-N 1 0 378.868 1.174 20 0 GDADRO CC(C)c1ncncc1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001574431809 948926606 /nfs/dbraw/zinc/92/66/06/948926606.db2.gz BYPGHUCZVGBTCN-UHFFFAOYSA-N 1 0 392.467 1.832 20 0 GDADRO CC(C)c1ncncc1C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574432513 948936403 /nfs/dbraw/zinc/93/64/03/948936403.db2.gz LTTPJCHTJOJCDT-LBPRGKRZSA-N 1 0 381.444 1.218 20 0 GDADRO C[C@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001574686592 948939453 /nfs/dbraw/zinc/93/94/53/948939453.db2.gz KAZWYKSVJWUXPD-HUUCEWRRSA-N 1 0 386.504 1.833 20 0 GDADRO C[C@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574923389 948945209 /nfs/dbraw/zinc/94/52/09/948945209.db2.gz LGUPBNFJXWNYBF-LLVKDONJSA-N 1 0 389.851 1.143 20 0 GDADRO CC(F)(F)CCC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575238979 948958680 /nfs/dbraw/zinc/95/86/80/948958680.db2.gz OQXZTQHGODAFIP-NWDGAFQWSA-N 1 0 379.415 1.816 20 0 GDADRO C[C@@H](CNC(=O)CCn1ccnc1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574924058 948963399 /nfs/dbraw/zinc/96/33/99/948963399.db2.gz UXGMXHKLHFUCBI-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+]1CCCC1 ZINC001573772811 948967714 /nfs/dbraw/zinc/96/77/14/948967714.db2.gz FNASNUPXIPJCEO-CYBMUJFWSA-N 1 0 389.529 1.493 20 0 GDADRO CC(C)(C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1CCCC1 ZINC001573772846 948969418 /nfs/dbraw/zinc/96/94/18/948969418.db2.gz GAYHAPQBTNOBFN-UHFFFAOYSA-N 1 0 384.488 1.221 20 0 GDADRO C[C@H](CNC(=O)C[N@H+](C)C1CCC1)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001574925614 948976804 /nfs/dbraw/zinc/97/68/04/948976804.db2.gz BPZUJMNBDYWKFH-LLVKDONJSA-N 1 0 376.440 1.049 20 0 GDADRO C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574926146 948988137 /nfs/dbraw/zinc/98/81/37/948988137.db2.gz JIYGOAAFLDEETQ-LLVKDONJSA-N 1 0 378.456 1.295 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CC2 ZINC001575242319 948988259 /nfs/dbraw/zinc/98/82/59/948988259.db2.gz JBNKGMKCEPYLRV-CYBMUJFWSA-N 1 0 375.452 1.871 20 0 GDADRO C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575246530 949034285 /nfs/dbraw/zinc/03/42/85/949034285.db2.gz GWOOLURSKBFWCO-CHWSQXEVSA-N 1 0 387.488 1.012 20 0 GDADRO CC(C)(C(=O)NCC1CC(Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001573780441 949092716 /nfs/dbraw/zinc/09/27/16/949092716.db2.gz ZLWXASKHIYUVSD-UHFFFAOYSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@H](CCNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574695161 949105200 /nfs/dbraw/zinc/10/52/00/949105200.db2.gz CYWSIQDTMHSSDN-RKDXNWHRSA-N 1 0 384.897 1.235 20 0 GDADRO CC(C)[C@@H]1C[C@@H](CC(=O)NCC[NH2+]Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001574093457 949106710 /nfs/dbraw/zinc/10/67/10/949106710.db2.gz RWLSQXOBEPDDDU-YJBOKZPZSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H](CCNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001574696232 949123215 /nfs/dbraw/zinc/12/32/15/949123215.db2.gz OCIOYTBHYSTTJK-SECBINFHSA-N 1 0 384.897 1.379 20 0 GDADRO C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575510956 949125025 /nfs/dbraw/zinc/12/50/25/949125025.db2.gz INNHDDUXIXJXJC-DYVFJYSZSA-N 1 0 383.456 1.021 20 0 GDADRO CC(C)c1ocnc1C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574447706 949171908 /nfs/dbraw/zinc/17/19/08/949171908.db2.gz YENKTNVUVKEXQF-UHFFFAOYSA-N 1 0 387.419 1.979 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574698071 949174627 /nfs/dbraw/zinc/17/46/27/949174627.db2.gz FSOJDYALAHYXDE-UONOGXRCSA-N 1 0 382.472 1.405 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCC1 ZINC001573787381 949178099 /nfs/dbraw/zinc/17/80/99/949178099.db2.gz VVYKXZINTUYBEB-HDJSIYSDSA-N 1 0 384.488 1.585 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573787616 949181782 /nfs/dbraw/zinc/18/17/82/949181782.db2.gz ZJQPTLMJUPNHNS-IYARVYRRSA-N 1 0 391.479 1.976 20 0 GDADRO C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575253251 949182679 /nfs/dbraw/zinc/18/26/79/949182679.db2.gz JKJAQTORHKFQAP-QWRGUYRKSA-N 1 0 392.895 1.705 20 0 GDADRO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575253219 949183187 /nfs/dbraw/zinc/18/31/87/949183187.db2.gz JEZINBKQOBFLLH-GHMZBOCLSA-N 1 0 376.440 1.048 20 0 GDADRO C[C@H](c1cnccn1)[NH+]1CCC(C)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575515399 949189963 /nfs/dbraw/zinc/18/99/63/949189963.db2.gz IKBKHHKDTWXJEU-GFCCVEGCSA-N 1 0 381.444 1.330 20 0 GDADRO C[C@H](CNC(=O)COc1ccsc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574935020 949192709 /nfs/dbraw/zinc/19/27/09/949192709.db2.gz XCHPQDIGOSLPCU-LLVKDONJSA-N 1 0 390.444 1.741 20 0 GDADRO C[C@@H](Oc1ccccc1)C(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574698499 949193922 /nfs/dbraw/zinc/19/39/22/949193922.db2.gz LTEIAJSYTKSCBK-UONOGXRCSA-N 1 0 381.440 1.410 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)c1cnn(C)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574698646 949202563 /nfs/dbraw/zinc/20/25/63/949202563.db2.gz NKJCHLOTJVIHGY-ZIAGYGMSSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001575516969 949223006 /nfs/dbraw/zinc/22/30/06/949223006.db2.gz SEIFQTLLHMJEQH-OSMBCOQSSA-N 1 0 377.452 1.864 20 0 GDADRO CC(C)c1oncc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574451246 949223091 /nfs/dbraw/zinc/22/30/91/949223091.db2.gz ICFFNGBYFGBVPV-JTQLQIEISA-N 1 0 375.458 1.948 20 0 GDADRO C[C@@H](NC(=O)[C@]1(C)CCCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575255154 949227784 /nfs/dbraw/zinc/22/77/84/949227784.db2.gz PQMXCULNSUNNKC-JLTOFOAXSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574937744 949230825 /nfs/dbraw/zinc/23/08/25/949230825.db2.gz QGPFLFDXELPVDI-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574938159 949242617 /nfs/dbraw/zinc/24/26/17/949242617.db2.gz SYONAPRYJUTKLF-JTQLQIEISA-N 1 0 389.822 1.635 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574700035 949254944 /nfs/dbraw/zinc/25/49/44/949254944.db2.gz XYCRGNDJQXKXMN-ZIAGYGMSSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCC1(F)F)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575258047 949287520 /nfs/dbraw/zinc/28/75/20/949287520.db2.gz DGOBXWWXNMNGMD-NHYWBVRUSA-N 1 0 376.411 1.849 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574702821 949294038 /nfs/dbraw/zinc/29/40/38/949294038.db2.gz MIMUCGVFJOOYMA-BFUOFWGJSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574702822 949296247 /nfs/dbraw/zinc/29/62/47/949296247.db2.gz MIMUCGVFJOOYMA-DJJJIMSYSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001574455676 949312981 /nfs/dbraw/zinc/31/29/81/949312981.db2.gz WHZWDHZXSJYUOA-XBXGTLAGSA-N 1 0 381.444 1.082 20 0 GDADRO CC(C)n1ccc(C(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001574457344 949328693 /nfs/dbraw/zinc/32/86/93/949328693.db2.gz IEGDNHNDEWNZBP-UHFFFAOYSA-N 1 0 381.444 1.438 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCC1(F)F)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575259938 949341608 /nfs/dbraw/zinc/34/16/08/949341608.db2.gz SPYGEEXKVLWCLO-SKDRFNHKSA-N 1 0 382.440 1.910 20 0 GDADRO C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001574703906 949358248 /nfs/dbraw/zinc/35/82/48/949358248.db2.gz HHPAYFLESAAFNO-CQSZACIVSA-N 1 0 384.488 1.397 20 0 GDADRO CC(C)n1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574459786 949363682 /nfs/dbraw/zinc/36/36/82/949363682.db2.gz KPBRBXHWAVNSRE-CYBMUJFWSA-N 1 0 383.460 1.224 20 0 GDADRO C[C@@H](CNC(=O)Cc1cncs1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574944311 949387184 /nfs/dbraw/zinc/38/71/84/949387184.db2.gz ABTZBNCHNSMVSK-JTQLQIEISA-N 1 0 375.433 1.299 20 0 GDADRO CC(C)n1cnc(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)c1 ZINC001574464101 949396919 /nfs/dbraw/zinc/39/69/19/949396919.db2.gz DUXLMXFGKCSQTG-UHFFFAOYSA-N 1 0 381.444 1.226 20 0 GDADRO C[C@H](CNC(=O)Cc1ncccc1F)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574944829 949400796 /nfs/dbraw/zinc/40/07/96/949400796.db2.gz GWRPQFXXMYJXHY-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575533175 949410285 /nfs/dbraw/zinc/41/02/85/949410285.db2.gz DYCPPMMJHAUSCV-ORAYPTAESA-N 1 0 388.447 1.371 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575532926 949412170 /nfs/dbraw/zinc/41/21/70/949412170.db2.gz CYQLETIOCWJPIL-OXQOHEQNSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H](CNC(=O)Cc1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574946195 949427702 /nfs/dbraw/zinc/42/77/02/949427702.db2.gz SPTSJDFCUQUMGO-SNVBAGLBSA-N 1 0 375.433 1.299 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574468518 949464341 /nfs/dbraw/zinc/46/43/41/949464341.db2.gz NJRVRVZNZICHFJ-UHFFFAOYSA-N 1 0 388.501 1.958 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCC1(F)F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574707240 949465159 /nfs/dbraw/zinc/46/51/59/949465159.db2.gz OGOBGGQPNSFVQI-MFKMUULPSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574708090 949484560 /nfs/dbraw/zinc/48/45/60/949484560.db2.gz SSEDFLVHHKEFFG-BXUZGUMPSA-N 1 0 376.440 1.144 20 0 GDADRO CC(C)n1nccc1C(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574470146 949487972 /nfs/dbraw/zinc/48/79/72/949487972.db2.gz NGPMWAFCTODBGG-AWEZNQCLSA-N 1 0 382.472 1.942 20 0 GDADRO C[C@H]1CCCC[C@]1(CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccn[nH]1 ZINC001576158450 949496883 /nfs/dbraw/zinc/49/68/83/949496883.db2.gz SUJDAVLFPCQDGQ-KPZWWZAWSA-N 1 0 381.444 1.198 20 0 GDADRO C[C@H]1[C@@H](NC(=O)CC(C)(C)O)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575871856 949525454 /nfs/dbraw/zinc/52/54/54/949525454.db2.gz CNTPTQWXBKDAHS-LRDDRELGSA-N 1 0 390.463 1.636 20 0 GDADRO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576163412 949529570 /nfs/dbraw/zinc/52/95/70/949529570.db2.gz BCOPFTVOOQSBDG-BBRMVZONSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575872658 949551758 /nfs/dbraw/zinc/55/17/58/949551758.db2.gz KRVRXDPZMRNDSM-HIFRSBDPSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576164277 949554751 /nfs/dbraw/zinc/55/47/51/949554751.db2.gz GOQHPTVSYYAUGC-AYMQEEERSA-N 1 0 385.472 1.338 20 0 GDADRO C[C@H]1CCCC[C@H]1OCC[NH+]1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576165338 949567425 /nfs/dbraw/zinc/56/74/25/949567425.db2.gz JRLUJTBEDWQIHO-SUMWQHHRSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576165336 949568974 /nfs/dbraw/zinc/56/89/74/949568974.db2.gz JRLUJTBEDWQIHO-DYVFJYSZSA-N 1 0 387.488 1.452 20 0 GDADRO CC1(C(=O)N2CCCO[C@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CC1 ZINC001575544119 949575924 /nfs/dbraw/zinc/57/59/24/949575924.db2.gz AQVHNQHPDMXTBW-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO 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CC(C)(C)[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cn[nH]c1 ZINC001573811534 949599209 /nfs/dbraw/zinc/59/92/09/949599209.db2.gz LFIAVUIGGYVUDI-HNNXBMFYSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001575874084 949599422 /nfs/dbraw/zinc/59/94/22/949599422.db2.gz FAHFJDUEBXQMAR-HIFRSBDPSA-N 1 0 389.479 1.821 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574713499 949605179 /nfs/dbraw/zinc/60/51/79/949605179.db2.gz XRMLZESUZNBMBY-RDTXWAMCSA-N 1 0 392.463 1.979 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001574476706 949614480 /nfs/dbraw/zinc/61/44/80/949614480.db2.gz JGKBQQMYPGXTQA-WMLDXEAASA-N 1 0 386.500 1.554 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@@H]1CCOC1 ZINC001573812391 949615881 /nfs/dbraw/zinc/61/58/81/949615881.db2.gz RGKPIZTVWFWHRV-RDJZCZTQSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574957716 949627139 /nfs/dbraw/zinc/62/71/39/949627139.db2.gz GOZCKHKWMBGWBU-OWIUFQIYSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575272996 949653874 /nfs/dbraw/zinc/65/38/74/949653874.db2.gz UHDGVPZHIQXGAC-HUUCEWRRSA-N 1 0 386.504 1.833 20 0 GDADRO C[C@@H](NC(=O)CCCc1ccccn1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575273259 949658264 /nfs/dbraw/zinc/65/82/64/949658264.db2.gz UZSQQXVNEPFFCF-ZIAGYGMSSA-N 1 0 380.456 1.407 20 0 GDADRO C[C@H]1[C@H](NC(=O)CCCC(N)=O)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575877774 949671228 /nfs/dbraw/zinc/67/12/28/949671228.db2.gz MYAUFELJQZOJDB-WCQYABFASA-N 1 0 391.501 1.053 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574716105 949678010 /nfs/dbraw/zinc/67/80/10/949678010.db2.gz MJWHQPFEYOOWTB-XJKSGUPXSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H]1[C@@H](NC(=O)CN2CCCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575878340 949680914 /nfs/dbraw/zinc/68/09/14/949680914.db2.gz OOWQVKTZTZCIOH-YJBOKZPZSA-N 1 0 383.500 1.432 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575552703 949684314 /nfs/dbraw/zinc/68/43/14/949684314.db2.gz IJKGRFLIDZAOQI-SJCJKPOMSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716356 949688276 /nfs/dbraw/zinc/68/82/76/949688276.db2.gz JVMDODDTIRYZKM-QWHCGFSZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C[NH2+]Cc1ccccn1 ZINC001576170256 949712392 /nfs/dbraw/zinc/71/23/92/949712392.db2.gz JTHBRDNMOIBZKL-CXAGYDPISA-N 1 0 380.456 1.620 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574959404 949713574 /nfs/dbraw/zinc/71/35/74/949713574.db2.gz RIBCPFOJBKSUCN-JEBQAFNWSA-N 1 0 377.452 1.660 20 0 GDADRO C[C@H](CN(C)C(=O)CC1CCOCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716961 949717160 /nfs/dbraw/zinc/71/71/60/949717160.db2.gz MTNKHYVUTVVNEH-CYBMUJFWSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574960325 949723216 /nfs/dbraw/zinc/72/32/16/949723216.db2.gz WJEABLVHELDQOM-VNQPRFMTSA-N 1 0 377.452 1.652 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574717249 949726438 /nfs/dbraw/zinc/72/64/38/949726438.db2.gz OLINLXAVNNFNII-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881734 949728697 /nfs/dbraw/zinc/72/86/97/949728697.db2.gz AENUDJWOGUHWOE-RHSMWYFYSA-N 1 0 380.456 1.233 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574961015 949735849 /nfs/dbraw/zinc/73/58/49/949735849.db2.gz ZJCNDUQTTYPPAO-LEWSCRJBSA-N 1 0 399.405 1.682 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccccc1O ZINC001573818518 949738250 /nfs/dbraw/zinc/73/82/50/949738250.db2.gz NAHSZEKTMQUQKT-MRXNPFEDSA-N 1 0 381.440 1.646 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574717853 949750504 /nfs/dbraw/zinc/75/05/04/949750504.db2.gz QVZCTTSGXOLJMS-HIFRSBDPSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1cncc(-c2nn[nH]n2)n1 ZINC001576171492 949765891 /nfs/dbraw/zinc/76/58/91/949765891.db2.gz RGBKYKVZVFKQPC-DZGCQCFKSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)CCOC1 ZINC001575559843 949767899 /nfs/dbraw/zinc/76/78/99/949767899.db2.gz YBWILXMPCYTZQS-MBOZVWFJSA-N 1 0 382.468 1.326 20 0 GDADRO CC(C)C[C@H](C)C[NH+]1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574140505 949836738 /nfs/dbraw/zinc/83/67/38/949836738.db2.gz NYSOADQPHKLFLR-ZDUSSCGKSA-N 1 0 375.477 1.044 20 0 GDADRO C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575284112 949893877 /nfs/dbraw/zinc/89/38/77/949893877.db2.gz HRZQLUKKFIAQDR-BDAKNGLRSA-N 1 0 384.897 1.378 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ccon1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574725096 949893983 /nfs/dbraw/zinc/89/39/83/949893983.db2.gz PNDSBCYXZLSTQU-LBPRGKRZSA-N 1 0 387.419 1.563 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575284208 949895847 /nfs/dbraw/zinc/89/58/47/949895847.db2.gz IEOLDIBYOHSQEC-GHMZBOCLSA-N 1 0 380.884 1.560 20 0 GDADRO C[C@H](CN(C)C(=O)COCC1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574725710 949909560 /nfs/dbraw/zinc/90/95/60/949909560.db2.gz BLUSFUQNFVOLKO-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574725872 949913558 /nfs/dbraw/zinc/91/35/58/949913558.db2.gz VMVWMFMTNOCMHP-VIFPVBQESA-N 1 0 386.913 1.576 20 0 GDADRO CC(C)C[C@H](C)C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1 ZINC001574146022 949933109 /nfs/dbraw/zinc/93/31/09/949933109.db2.gz VYQZTKCURLZZCF-GJZGRUSLSA-N 1 0 389.504 1.698 20 0 GDADRO CC(C)(C)/C=C\C(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573829192 949944127 /nfs/dbraw/zinc/94/41/27/949944127.db2.gz XKAVAFSQVYTUQD-AFNCTOJWSA-N 1 0 376.436 1.175 20 0 GDADRO CC(C)(C)CC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573830005 949969042 /nfs/dbraw/zinc/96/90/42/949969042.db2.gz HFJDURSLAVKSEZ-UHFFFAOYSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@H](CN(C)C(=O)COCC(F)F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574727685 949981764 /nfs/dbraw/zinc/98/17/64/949981764.db2.gz XHXYXYPWVGRZMG-SNVBAGLBSA-N 1 0 386.378 1.224 20 0 GDADRO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNc1cccc(F)c1-c1nn[nH]n1 ZINC001576181417 950005021 /nfs/dbraw/zinc/00/50/21/950005021.db2.gz IDDKUTHVWLHHRQ-ZIAGYGMSSA-N 1 0 389.479 1.854 20 0 GDADRO C[C@H](CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1ccncc1 ZINC001574490811 950019297 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382.472 1.535 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@H]1CCOC1 ZINC001574151051 950056870 /nfs/dbraw/zinc/05/68/70/950056870.db2.gz KDWBRQUYOMMHOK-KGLIPLIRSA-N 1 0 392.529 1.975 20 0 GDADRO CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCCC1 ZINC001575575885 950059098 /nfs/dbraw/zinc/05/90/98/950059098.db2.gz MWGDKJNYOMTEPI-GFCCVEGCSA-N 1 0 378.502 1.465 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cn[nH]n1 ZINC001574151126 950060629 /nfs/dbraw/zinc/06/06/29/950060629.db2.gz LNKZBUXHUHKHNA-GFCCVEGCSA-N 1 0 387.423 1.058 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@]1(C)CCOC1 ZINC001574151330 950072416 /nfs/dbraw/zinc/07/24/16/950072416.db2.gz PJNGQSOSDCXHHO-FXAWDEMLSA-N 1 0 386.500 1.914 20 0 GDADRO CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCCCC1 ZINC001575576878 950074720 /nfs/dbraw/zinc/07/47/20/950074720.db2.gz SQJPRCRWYPCRMS-CQSZACIVSA-N 1 0 390.463 1.543 20 0 GDADRO CC1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CCOCC2)CC1 ZINC001575577059 950080283 /nfs/dbraw/zinc/08/02/83/950080283.db2.gz UVEPOVHMHBPRGZ-UHFFFAOYSA-N 1 0 388.447 1.561 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cn(C)cn1 ZINC001574151657 950090049 /nfs/dbraw/zinc/09/00/49/950090049.db2.gz XHEFVYRSDOZIRM-MRXNPFEDSA-N 1 0 382.472 1.535 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H](O)C(C)C ZINC001574151860 950093289 /nfs/dbraw/zinc/09/32/89/950093289.db2.gz ZOVGMQHFMATEJU-RHSMWYFYSA-N 1 0 392.479 1.643 20 0 GDADRO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574152446 950104777 /nfs/dbraw/zinc/10/47/77/950104777.db2.gz CJFDEEBTJFHNON-WBVHZDCISA-N 1 0 386.504 1.689 20 0 GDADRO CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573838413 950110170 /nfs/dbraw/zinc/11/01/70/950110170.db2.gz COUKCTANGVSFKP-INIZCTEOSA-N 1 0 388.516 1.896 20 0 GDADRO C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)C(F)(F)F ZINC001574493147 950118563 /nfs/dbraw/zinc/11/85/63/950118563.db2.gz DVADGUVAKDIPQF-ZYHUDNBSSA-N 1 0 386.378 1.022 20 0 GDADRO CC(C)(C)CC(=O)NCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573839119 950121654 /nfs/dbraw/zinc/12/16/54/950121654.db2.gz LGLIJOXQSLRTPX-UHFFFAOYSA-N 1 0 385.516 1.537 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574733974 950123822 /nfs/dbraw/zinc/12/38/22/950123822.db2.gz IJZQGUUTVYOYJU-JEBQAFNWSA-N 1 0 394.483 1.340 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575582762 950126442 /nfs/dbraw/zinc/12/64/42/950126442.db2.gz GQEBNQSNRSKEAC-KUHUBIRLSA-N 1 0 385.472 1.411 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001574978341 950134624 /nfs/dbraw/zinc/13/46/24/950134624.db2.gz RRPJCVNNOMCTER-SNVBAGLBSA-N 1 0 375.383 1.424 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001574979214 950152611 /nfs/dbraw/zinc/15/26/11/950152611.db2.gz XNNPZOFKIWYZLO-ZJUUUORDSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001574738300 950165827 /nfs/dbraw/zinc/16/58/27/950165827.db2.gz DSOCDXUJMTXRIF-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2ccncn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899527 950174973 /nfs/dbraw/zinc/17/49/73/950174973.db2.gz XLRIMUZGDLDGIR-BBRMVZONSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cc(CO)ccc1F ZINC001574738994 950181889 /nfs/dbraw/zinc/18/18/89/950181889.db2.gz KBJKEJLRSXCDOS-NSHDSACASA-N 1 0 387.419 1.077 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1nccs1 ZINC001575900261 950193307 /nfs/dbraw/zinc/19/33/07/950193307.db2.gz CWQHIGDTSNSBEX-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001576191424 950195559 /nfs/dbraw/zinc/19/55/59/950195559.db2.gz GEWXINRLMSOQMO-CQSZACIVSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCc1c(F)cccc1F ZINC001574739662 950202677 /nfs/dbraw/zinc/20/26/77/950202677.db2.gz VCMKUDFJYYGXHY-LLVKDONJSA-N 1 0 389.410 1.766 20 0 GDADRO CC1(C(=O)NC[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)CCCO2)CC1 ZINC001575586024 950213953 /nfs/dbraw/zinc/21/39/53/950213953.db2.gz FZJZOOPYZMURGJ-HNNXBMFYSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575586040 950214933 /nfs/dbraw/zinc/21/49/33/950214933.db2.gz GGCVUIDYXVKYEG-YWZLYKJASA-N 1 0 384.484 1.622 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573845298 950221808 /nfs/dbraw/zinc/22/18/08/950221808.db2.gz VMOFCMHBFYVHCP-LJQANCHMSA-N 1 0 389.504 1.842 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CCN2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192236 950231422 /nfs/dbraw/zinc/23/14/22/950231422.db2.gz LCDALJBCOFKICP-DOTOQJQBSA-N 1 0 383.500 1.241 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001576192686 950261031 /nfs/dbraw/zinc/26/10/31/950261031.db2.gz PYHJYDNWJJAUTD-UKRRQHHQSA-N 1 0 387.488 1.309 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575589901 950273382 /nfs/dbraw/zinc/27/33/82/950273382.db2.gz YQGLUUQHKSVKGQ-LIRRHRJNSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@H](CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)[C@@H]1CCCO1 ZINC001574499102 950294952 /nfs/dbraw/zinc/29/49/52/950294952.db2.gz RZXYWKDMUMPDAD-PBHICJAKSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ncccc1O ZINC001575905449 950296192 /nfs/dbraw/zinc/29/61/92/950296192.db2.gz CNCOQKSAVWUZPK-DOMZBBRYSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576193471 950303680 /nfs/dbraw/zinc/30/36/80/950303680.db2.gz VFRDZWKELVFEJI-DZGCQCFKSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)n1cccn1 ZINC001574499744 950304885 /nfs/dbraw/zinc/30/48/85/950304885.db2.gz WQIINHMERKFRNJ-LBPRGKRZSA-N 1 0 386.485 1.514 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cnoc1 ZINC001575906391 950313225 /nfs/dbraw/zinc/31/32/25/950313225.db2.gz IIENLYOFIFLBKJ-BDJLRTHQSA-N 1 0 385.403 1.316 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CCOC1CCCCCC1 ZINC001574988250 950327576 /nfs/dbraw/zinc/32/75/76/950327576.db2.gz PHGWXJVHSDINOD-CQSZACIVSA-N 1 0 389.504 1.984 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cccnc1 ZINC001575907228 950329951 /nfs/dbraw/zinc/32/99/51/950329951.db2.gz NCMCZJKOWVLWMW-PXAZEXFGSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cccnc1 ZINC001575907740 950343460 /nfs/dbraw/zinc/34/34/60/950343460.db2.gz QBJGAHUJJIPMDQ-PXAZEXFGSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575908134 950355017 /nfs/dbraw/zinc/35/50/17/950355017.db2.gz ALESELPNAQMNTC-MLGOLLRUSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001576196452 950364973 /nfs/dbraw/zinc/36/49/73/950364973.db2.gz DWLBWNWUWRVAEV-LBPRGKRZSA-N 1 0 392.895 1.152 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cnsn1 ZINC001575908602 950373253 /nfs/dbraw/zinc/37/32/53/950373253.db2.gz VPTHKFNMBWXHKV-WCBMZHEXSA-N 1 0 376.471 1.173 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccccc1N(C)C ZINC001574745029 950373531 /nfs/dbraw/zinc/37/35/31/950373531.db2.gz FHVNTXIEECWBAD-CYBMUJFWSA-N 1 0 382.472 1.511 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(C2CC2)on1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574745318 950381499 /nfs/dbraw/zinc/38/14/99/950381499.db2.gz IGCZKTFITWRQIO-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H]1[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576197275 950393974 /nfs/dbraw/zinc/39/39/74/950393974.db2.gz MOCRLIITMVSATC-GDBMZVCRSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001574746357 950396294 /nfs/dbraw/zinc/39/62/94/950396294.db2.gz NZERZQRGXWSIDS-GFCCVEGCSA-N 1 0 385.476 1.397 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575597049 950397325 /nfs/dbraw/zinc/39/73/25/950397325.db2.gz LJMVLSDJVJWOAF-XFHNUULXSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575597859 950419364 /nfs/dbraw/zinc/41/93/64/950419364.db2.gz XXNCFISQNIHDFV-JKDFXYPNSA-N 1 0 376.486 1.339 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001573861000 950431627 /nfs/dbraw/zinc/43/16/27/950431627.db2.gz OKHQNFRGJSXJJZ-JKSUJKDBSA-N 1 0 388.472 1.793 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]cc2-c2nn[nH]n2)CCCOC1 ZINC001575599449 950432196 /nfs/dbraw/zinc/43/21/96/950432196.db2.gz JOYULZSSJZBEJZ-GPMSIDNRSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574750663 950434658 /nfs/dbraw/zinc/43/46/58/950434658.db2.gz FSEBGPJHFIYALJ-LLVKDONJSA-N 1 0 385.497 1.995 20 0 GDADRO CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001573861053 950436131 /nfs/dbraw/zinc/43/61/31/950436131.db2.gz QPILHCHCOZWXPG-UHFFFAOYSA-N 1 0 389.460 1.113 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1Nc1ccc(-c2nn[nH]n2)nc1 ZINC001576203250 950440389 /nfs/dbraw/zinc/44/03/89/950440389.db2.gz FRGMJBJQKDVDGY-RHSMWYFYSA-N 1 0 384.488 1.252 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001576203733 950451333 /nfs/dbraw/zinc/45/13/33/950451333.db2.gz IWLQQEBJRSDEGE-OAHLLOKOSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576204560 950467557 /nfs/dbraw/zinc/46/75/57/950467557.db2.gz QEAAOPCDUVWELM-NEPJUHHUSA-N 1 0 376.440 1.049 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575913013 950472304 /nfs/dbraw/zinc/47/23/04/950472304.db2.gz SOKACGQZYLHLTH-LRDDRELGSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H](C[C@@H](C)Nc1nccnc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204814 950476246 /nfs/dbraw/zinc/47/62/46/950476246.db2.gz RJZWEIXUHPPKPP-ZIAGYGMSSA-N 1 0 387.492 1.084 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573866505 950505380 /nfs/dbraw/zinc/50/53/80/950505380.db2.gz FHEVRBMBQXCZQA-ZDUSSCGKSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575608170 950511710 /nfs/dbraw/zinc/51/17/10/950511710.db2.gz NQYRHIJPDWAVRU-NJSLBKSFSA-N 1 0 388.447 1.417 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@@H]2CCN2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001576205567 950524635 /nfs/dbraw/zinc/52/46/35/950524635.db2.gz KANGEBJFXRLJTN-KRWDZBQOSA-N 1 0 383.500 1.289 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ccncc1F ZINC001575915892 950526064 /nfs/dbraw/zinc/52/60/64/950526064.db2.gz XUIHOEULEJAXBI-PXAZEXFGSA-N 1 0 381.415 1.794 20 0 GDADRO CC(C)[C@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1ncccc1-c1nn[nH]n1 ZINC001576205628 950528563 /nfs/dbraw/zinc/52/85/63/950528563.db2.gz LEMGPTPAPUFMAK-INIZCTEOSA-N 1 0 386.504 1.546 20 0 GDADRO CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576205654 950530397 /nfs/dbraw/zinc/53/03/97/950530397.db2.gz LTOXDXYSXSBMPV-IUODEOHRSA-N 1 0 390.467 1.295 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001576205972 950549329 /nfs/dbraw/zinc/54/93/29/950549329.db2.gz SCLVLXPMZOFEQK-RKDXNWHRSA-N 1 0 384.897 1.235 20 0 GDADRO CC(C)CCC(=O)N1CCC(O)(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574171997 950574399 /nfs/dbraw/zinc/57/43/99/950574399.db2.gz XKSIZCWONKLHGE-UHFFFAOYSA-N 1 0 386.500 1.746 20 0 GDADRO CC1(C)C(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1(C)C ZINC001575615780 950575641 /nfs/dbraw/zinc/57/56/41/950575641.db2.gz HGDHBAWJOLJRMY-CABCVRRESA-N 1 0 384.484 1.210 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573869719 950575985 /nfs/dbraw/zinc/57/59/85/950575985.db2.gz BVFQAUJKSMUMBU-MRXNPFEDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206633 950579432 /nfs/dbraw/zinc/57/94/32/950579432.db2.gz YLONIRSNWWTGCU-ZIAGYGMSSA-N 1 0 389.479 1.284 20 0 GDADRO CC(C)(C)OCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001573869961 950582849 /nfs/dbraw/zinc/58/28/49/950582849.db2.gz SNYSDAOZBARNMW-CALCHBBNSA-N 1 0 384.484 1.572 20 0 GDADRO CC1CC[NH+](CC(=O)NCC2(Nc3cccc(F)c3-c3nn[nH]n3)CC2)CC1 ZINC001576206820 950584401 /nfs/dbraw/zinc/58/44/01/950584401.db2.gz ZESFOTQLVRLFIZ-UHFFFAOYSA-N 1 0 387.463 1.798 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574512708 950587003 /nfs/dbraw/zinc/58/70/03/950587003.db2.gz AANJMKFIIFOVGO-OLZOCXBDSA-N 1 0 386.435 1.448 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573870501 950595359 /nfs/dbraw/zinc/59/53/59/950595359.db2.gz XENGBBJFOZIFAU-DZGCQCFKSA-N 1 0 387.488 1.586 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)no1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575000623 950607292 /nfs/dbraw/zinc/60/72/92/950607292.db2.gz QXQNNUZVRKEJMR-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574518255 950650183 /nfs/dbraw/zinc/65/01/83/950650183.db2.gz MWSJYOGDDNIBQC-MBGYTDRXSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924343 950670555 /nfs/dbraw/zinc/67/05/55/950670555.db2.gz FFEQIGAUXAESRQ-ZUZCIYMTSA-N 1 0 385.378 1.677 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccsn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574760934 950687738 /nfs/dbraw/zinc/68/77/38/950687738.db2.gz OWSSELFBLVYMCO-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1ccc(-c2nn[nH]n2)nc1 ZINC001576216593 950735636 /nfs/dbraw/zinc/73/56/36/950735636.db2.gz DUJHHFMTJYFYMD-BBRMVZONSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576216599 950736729 /nfs/dbraw/zinc/73/67/29/950736729.db2.gz DUNBUOYATRTIGO-RYUDHWBXSA-N 1 0 391.426 1.625 20 0 GDADRO CC(C)[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC001576216857 950746579 /nfs/dbraw/zinc/74/65/79/950746579.db2.gz JTDBTENQQGHWLE-AAEUAGOBSA-N 1 0 392.529 1.988 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnc(C2CC2)o1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574764178 950749007 /nfs/dbraw/zinc/74/90/07/950749007.db2.gz QPMZEJFBGRCONE-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnc(C2CC2)o1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574764773 950762084 /nfs/dbraw/zinc/76/20/84/950762084.db2.gz YANVQBLCEAJAAT-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CN(C)C(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574764988 950769338 /nfs/dbraw/zinc/76/93/38/950769338.db2.gz BGGFSHQKKKUOGU-GFCCVEGCSA-N 1 0 380.456 1.329 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575928119 950773282 /nfs/dbraw/zinc/77/32/82/950773282.db2.gz YWTXFNZKNDZSCE-NHYWBVRUSA-N 1 0 391.439 1.066 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1ccc[nH]1 ZINC001574521503 950778672 /nfs/dbraw/zinc/77/86/72/950778672.db2.gz GKFCVTPGQKJEHC-CHWSQXEVSA-N 1 0 385.447 1.950 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=COCCC1 ZINC001574522574 950797166 /nfs/dbraw/zinc/79/71/66/950797166.db2.gz KYBUKOXXQXZITJ-VXGBXAGGSA-N 1 0 376.486 1.995 20 0 GDADRO C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574766404 950816889 /nfs/dbraw/zinc/81/68/89/950816889.db2.gz JJZXVSNQKYABIN-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cnn(C)c1 ZINC001574523476 950820096 /nfs/dbraw/zinc/82/00/96/950820096.db2.gz NWWHSNDLWJWCDZ-RYUDHWBXSA-N 1 0 388.501 1.277 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1CCOCC1 ZINC001574524136 950845525 /nfs/dbraw/zinc/84/55/25/950845525.db2.gz UCMVEIGPDJCAHK-CHWSQXEVSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CN(C)C(=O)c1coc(C2CC2)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574767335 950848520 /nfs/dbraw/zinc/84/85/20/950848520.db2.gz QPAJIZLXWUEOMB-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCc1cn[nH]c1 ZINC001574524286 950849329 /nfs/dbraw/zinc/84/93/29/950849329.db2.gz VFHQCAOOUPYLNI-KBPBESRZSA-N 1 0 382.472 1.596 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CC(C)(C)O)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574524279 950851315 /nfs/dbraw/zinc/85/13/15/950851315.db2.gz VDYGXKQIHNSPBF-NEPJUHHUSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001575934296 950858506 /nfs/dbraw/zinc/85/85/06/950858506.db2.gz RAWSQRGAQKJCOE-NHYWBVRUSA-N 1 0 388.451 1.286 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1ccnc1 ZINC001574524655 950867525 /nfs/dbraw/zinc/86/75/25/950867525.db2.gz YEEKQKKDIHDXIF-STQMWFEESA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CC(C)(C)O ZINC001574524729 950870232 /nfs/dbraw/zinc/87/02/32/950870232.db2.gz YWCHGUXRUXCQNJ-NWDGAFQWSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CCOc1ccccc1F ZINC001575012319 950885973 /nfs/dbraw/zinc/88/59/73/950885973.db2.gz YSHGPFSSVQFBIW-GFCCVEGCSA-N 1 0 387.419 1.463 20 0 GDADRO CC(C)(C)n1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cn1 ZINC001573893878 950910600 /nfs/dbraw/zinc/91/06/00/950910600.db2.gz AGDMPSRXYMWMIT-HDJSIYSDSA-N 1 0 383.460 1.197 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccn(C)n1 ZINC001574527845 950910818 /nfs/dbraw/zinc/91/08/18/950910818.db2.gz HZKXEMKQIAXFIQ-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO CC(C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001574190609 950915808 /nfs/dbraw/zinc/91/58/08/950915808.db2.gz ZGZGFEDRVXNWKJ-CABCVRRESA-N 1 0 392.529 1.806 20 0 GDADRO C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001576227541 950916103 /nfs/dbraw/zinc/91/61/03/950916103.db2.gz DQOKVTWLILTCIX-ZFWWWQNUSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574528009 950919827 /nfs/dbraw/zinc/91/98/27/950919827.db2.gz JTJFDBJXTLYEMC-NWDGAFQWSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576227643 950920661 /nfs/dbraw/zinc/92/06/61/950920661.db2.gz GUEBXONRPDQUJP-IAQYHMDHSA-N 1 0 388.451 1.001 20 0 GDADRO C[C@@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001574771832 950941398 /nfs/dbraw/zinc/94/13/98/950941398.db2.gz KYXPMUNCWJNHMZ-ZDUSSCGKSA-N 1 0 389.479 1.427 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574771811 950941976 /nfs/dbraw/zinc/94/19/76/950941976.db2.gz KSQWTIQJABVYHR-BLVKFPJESA-N 1 0 390.463 1.493 20 0 GDADRO CC(C)CCC[N@@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574194821 950957086 /nfs/dbraw/zinc/95/70/86/950957086.db2.gz BJVNBFLUJOZZLU-GOSISDBHSA-N 1 0 375.477 1.188 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOC1 ZINC001574772184 950961702 /nfs/dbraw/zinc/96/17/02/950961702.db2.gz QSXBYVSIJQXORQ-QWHCGFSZSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCc1c(F)cccc1Cl ZINC001575016915 950963681 /nfs/dbraw/zinc/96/36/81/950963681.db2.gz CMTAMFGBMDPASN-JTQLQIEISA-N 1 0 391.838 1.938 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC1(O)CCC1 ZINC001574772437 950970044 /nfs/dbraw/zinc/97/00/44/950970044.db2.gz SRQYSTANUDWJIK-GFCCVEGCSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574772661 950976273 /nfs/dbraw/zinc/97/62/73/950976273.db2.gz TZTQFOVCDQIWOX-APPDUMDISA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cncn1C ZINC001574530476 950983269 /nfs/dbraw/zinc/98/32/69/950983269.db2.gz UUJVLHSAIGGJBF-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575644866 950998465 /nfs/dbraw/zinc/99/84/65/950998465.db2.gz YLIHWFUOFFNONT-INIZCTEOSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CO1 ZINC001575939124 951006426 /nfs/dbraw/zinc/00/64/26/951006426.db2.gz PAYKTEXRBJZNKH-WMLDXEAASA-N 1 0 384.484 1.715 20 0 GDADRO C[C@@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575033817 951228506 /nfs/dbraw/zinc/22/85/06/951228506.db2.gz BUOUOLABBBMXJN-VIFPVBQESA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1cn2c(n1)CCC2)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575042371 951362613 /nfs/dbraw/zinc/36/26/13/951362613.db2.gz IRSGKKKUNPHBHZ-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1Cl)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575051916 951457721 /nfs/dbraw/zinc/45/77/21/951457721.db2.gz AUOKBQWACRFCQZ-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)c1cnn2c1CCC2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575054681 951495377 /nfs/dbraw/zinc/49/53/77/951495377.db2.gz JVYILDDMWJOSCT-LLVKDONJSA-N 1 0 384.419 1.057 20 0 GDADRO C[C@H](CNC(=O)c1coc(CC2CC2)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575055942 951513619 /nfs/dbraw/zinc/51/36/19/951513619.db2.gz DBNHQGCYGZWAQJ-GFCCVEGCSA-N 1 0 381.440 1.715 20 0 GDADRO C[C@@H](CNC(=O)c1conc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575058921 951536664 /nfs/dbraw/zinc/53/66/64/951536664.db2.gz WOJHLFCHDHGQQQ-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1csnn1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575062129 951566898 /nfs/dbraw/zinc/56/68/98/951566898.db2.gz UJNISWRXXVLUOP-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](CNC(=O)c1ncc(Cl)s1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575062183 951569627 /nfs/dbraw/zinc/56/96/27/951569627.db2.gz VFIJDTOYEKRTCY-SECBINFHSA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1ncnc2[nH]ccc21)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067450 951611839 /nfs/dbraw/zinc/61/18/39/951611839.db2.gz MFIFVSOUHRDSAW-LBPRGKRZSA-N 1 0 391.439 1.340 20 0 GDADRO C[C@H](CNC(=O)c1ncc2n1CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575068260 951631524 /nfs/dbraw/zinc/63/15/24/951631524.db2.gz YWNYQXLWGUHZOH-CYBMUJFWSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575069014 951639939 /nfs/dbraw/zinc/63/99/39/951639939.db2.gz FLYNHXZCDNNCAV-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1scnc1C1CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575069180 951642181 /nfs/dbraw/zinc/64/21/81/951642181.db2.gz HBVJHOJIDUGOJA-JTQLQIEISA-N 1 0 384.469 1.496 20 0 GDADRO CC(C)c1nnsc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575069878 951646646 /nfs/dbraw/zinc/64/66/46/951646646.db2.gz MQLVHALSIOJFKW-NSHDSACASA-N 1 0 386.485 1.750 20 0 GDADRO C[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077310 951666718 /nfs/dbraw/zinc/66/67/18/951666718.db2.gz FOVBPCYCRINBEO-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H](O)c1ccccc1F ZINC001575077526 951671174 /nfs/dbraw/zinc/67/11/74/951671174.db2.gz GPLBPSGREHHMGD-ZBEGNZNMSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575077534 951671358 /nfs/dbraw/zinc/67/13/58/951671358.db2.gz GDIIUTPZDVUHKJ-PIGZYNQJSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077643 951672668 /nfs/dbraw/zinc/67/26/68/951672668.db2.gz HONMHICCYILLTJ-KGLIPLIRSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001575077993 951676447 /nfs/dbraw/zinc/67/64/47/951676447.db2.gz IWFPJPSLRJABRI-MEDUHNTESA-N 1 0 387.419 1.023 20 0 GDADRO C[C@@H](CNC(=O)c1ccns1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078898 951685449 /nfs/dbraw/zinc/68/54/49/951685449.db2.gz NTHQZUPUPSZPRQ-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001575079172 951689172 /nfs/dbraw/zinc/68/91/72/951689172.db2.gz LRFOZVUKRAOPAR-VXGBXAGGSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001575079165 951689217 /nfs/dbraw/zinc/68/92/17/951689217.db2.gz LRFOZVUKRAOPAR-NEPJUHHUSA-N 1 0 381.431 1.976 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(O)ccc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575079416 951690880 /nfs/dbraw/zinc/69/08/80/951690880.db2.gz DSKFTVMNFVHODB-JTQLQIEISA-N 1 0 389.847 1.804 20 0 GDADRO C[C@H](CNC(=O)c1nccs1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079354 951691044 /nfs/dbraw/zinc/69/10/44/951691044.db2.gz DBURCRNHJGDFBL-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575079522 951692074 /nfs/dbraw/zinc/69/20/74/951692074.db2.gz QKMYKGGGZXMTJJ-CWTRNNRKSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575079521 951692355 /nfs/dbraw/zinc/69/23/55/951692355.db2.gz QKMYKGGGZXMTJJ-BUXKBTBVSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)n1cccn1 ZINC001575079582 951694933 /nfs/dbraw/zinc/69/49/33/951694933.db2.gz RQOROJQRLOOZSB-QWHCGFSZSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)c1ccon1)C1CC1 ZINC001575080505 951710412 /nfs/dbraw/zinc/71/04/12/951710412.db2.gz XHGBXQAIJVWDGY-SFHVURJKSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575081172 951720740 /nfs/dbraw/zinc/72/07/40/951720740.db2.gz PDOHDZDKOFUOJC-DOMZBBRYSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001575089024 951745772 /nfs/dbraw/zinc/74/57/72/951745772.db2.gz CORIZXCVVJOONK-IGNZVWTISA-N 1 0 388.497 1.339 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575089667 951751398 /nfs/dbraw/zinc/75/13/98/951751398.db2.gz HDMKACXOXMNFMX-DZGCQCFKSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575089749 951753249 /nfs/dbraw/zinc/75/32/49/951753249.db2.gz IIRYAHDTNMDTKX-HXPMCKFVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575089905 951755115 /nfs/dbraw/zinc/75/51/15/951755115.db2.gz IIAKVADUDQVSOP-YJYMSZOUSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cnsn1 ZINC001575090068 951757427 /nfs/dbraw/zinc/75/74/27/951757427.db2.gz IXAPXFUTXSXPBE-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1nccs1 ZINC001575091179 951769914 /nfs/dbraw/zinc/76/99/14/951769914.db2.gz PVYSXJPLKOYSFR-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001575091200 951772083 /nfs/dbraw/zinc/77/20/83/951772083.db2.gz QDWQWOZFSRDCCP-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575091832 951783149 /nfs/dbraw/zinc/78/31/49/951783149.db2.gz VIDYCBDOAITYIN-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)on1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092564 951794706 /nfs/dbraw/zinc/79/47/06/951794706.db2.gz FBHVKFSHWNMDHM-LBPRGKRZSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001575092997 951796518 /nfs/dbraw/zinc/79/65/18/951796518.db2.gz GOSQTZXSRXIGCY-GFCCVEGCSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@H](CNC(=O)c1[nH]nc2ccccc21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094238 951801988 /nfs/dbraw/zinc/80/19/88/951801988.db2.gz MBUJPWFXUQMRTL-ZDUSSCGKSA-N 1 0 390.451 1.899 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001575093835 951802523 /nfs/dbraw/zinc/80/25/23/951802523.db2.gz LDKUCNDINPYXAO-CYBMUJFWSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098736 951826523 /nfs/dbraw/zinc/82/65/23/951826523.db2.gz FTIWZQNZAQCSOG-OLZOCXBDSA-N 1 0 378.502 1.587 20 0 GDADRO C[C@@H](CNC(=O)C[C@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100939 951850468 /nfs/dbraw/zinc/85/04/68/951850468.db2.gz XGEABGLHQQKEOD-DIFFPNOSSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@@H](CNC(=O)c1cc(F)c[nH]1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101483 951860446 /nfs/dbraw/zinc/86/04/46/951860446.db2.gz FPBZKWABTVDBMZ-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO CC(C)n1cc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cn1 ZINC001575102422 951867104 /nfs/dbraw/zinc/86/71/04/951867104.db2.gz MXYOEUHLRSCAEL-LBPRGKRZSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cnc2n1CCC2 ZINC001575102727 951871360 /nfs/dbraw/zinc/87/13/60/951871360.db2.gz POFWJIAEVKMVDU-LLVKDONJSA-N 1 0 386.485 1.321 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575103707 951877701 /nfs/dbraw/zinc/87/77/01/951877701.db2.gz VIDJYXOOZPYNNF-TZMCWYRMSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CCc1ccon1 ZINC001575104079 951881379 /nfs/dbraw/zinc/88/13/79/951881379.db2.gz BCWNVEOOADVIAH-LBPRGKRZSA-N 1 0 387.419 1.563 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575104107 951882611 /nfs/dbraw/zinc/88/26/11/951882611.db2.gz BLRQPWHGWIRVAI-HXUWFJFHSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CC(C)(C)CO1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104477 951885434 /nfs/dbraw/zinc/88/54/34/951885434.db2.gz DIVCHUKIPUXLGD-PBHICJAKSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H](CNC(=O)CCc1ccccn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105215 951892012 /nfs/dbraw/zinc/89/20/12/951892012.db2.gz IBIHANFADXXNJT-HNNXBMFYSA-N 1 0 379.468 1.736 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC001575105813 951897714 /nfs/dbraw/zinc/89/77/14/951897714.db2.gz NVTQEXPEFQJCQM-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1ccc(F)cc1F ZINC001575106251 951903180 /nfs/dbraw/zinc/90/31/80/951903180.db2.gz RNJHWCGSYMKFRT-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001575107197 951915769 /nfs/dbraw/zinc/91/57/69/951915769.db2.gz BBJWAFRGNHQHKY-APHBMKBZSA-N 1 0 380.456 1.330 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575107307 951917924 /nfs/dbraw/zinc/91/79/24/951917924.db2.gz BYYKPPXQRPTIHG-OAHLLOKOSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnc2n1CCC2 ZINC001575107688 951921588 /nfs/dbraw/zinc/92/15/88/951921588.db2.gz HVGHIGXEDDRCNK-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cc(Cl)no1 ZINC001575109230 951928048 /nfs/dbraw/zinc/92/80/48/951928048.db2.gz PZMQTYQRJABJRU-JTQLQIEISA-N 1 0 375.820 1.758 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575109789 951933618 /nfs/dbraw/zinc/93/36/18/951933618.db2.gz VLNYAUHNTBFEML-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)COc1cccnc1 ZINC001575109775 951933996 /nfs/dbraw/zinc/93/39/96/951933996.db2.gz VFYFJZMNIAVHKC-AWEZNQCLSA-N 1 0 381.440 1.277 20 0 GDADRO C[C@@H](CNC(=O)c1ncc(F)cc1F)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110375 951938860 /nfs/dbraw/zinc/93/88/60/951938860.db2.gz ZVBLDEPAWIPYFM-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)C(C)(C)c1c[nH]cn1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115459 951965260 /nfs/dbraw/zinc/96/52/60/951965260.db2.gz XAWLRPWEVUXGBW-CYBMUJFWSA-N 1 0 382.472 1.410 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001575121484 951996252 /nfs/dbraw/zinc/99/62/52/951996252.db2.gz FJZDQEBBSBNHQL-HOCLYGCPSA-N 1 0 386.504 1.783 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001575131748 952087710 /nfs/dbraw/zinc/08/77/10/952087710.db2.gz AYBJHMABCNLMSX-ZFWWWQNUSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575143805 952157428 /nfs/dbraw/zinc/15/74/28/952157428.db2.gz CSEIAWYCESXATI-CYBMUJFWSA-N 1 0 378.440 1.069 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575146640 952195692 /nfs/dbraw/zinc/19/56/92/952195692.db2.gz MPWHJOVFCPDSAN-DOMZBBRYSA-N 1 0 379.424 1.119 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001575163555 952280082 /nfs/dbraw/zinc/28/00/82/952280082.db2.gz DCDIZRQLTHAEBF-BXUZGUMPSA-N 1 0 376.440 1.144 20 0 GDADRO C[C@](CNc1ncccc1-c1nn[nH]n1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575164156 952287833 /nfs/dbraw/zinc/28/78/33/952287833.db2.gz IXVFCAQAXVOPDM-GOSISDBHSA-N 1 0 382.472 1.054 20 0 GDADRO C[C@@H](CNc1snc(Cl)c1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575177128 952397574 /nfs/dbraw/zinc/39/75/74/952397574.db2.gz GSSQZLDRILLGPH-DTWKUNHWSA-N 1 0 384.897 1.330 20 0 GDADRO O=C([C@@H]1CC1(F)F)N1CC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571115024 952463221 /nfs/dbraw/zinc/46/32/21/952463221.db2.gz QHWXKDNKDDKRFA-BLLLJJGKSA-N 1 0 375.383 1.346 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575199207 952488080 /nfs/dbraw/zinc/48/80/80/952488080.db2.gz AQLXVROHFAXENF-KBPBESRZSA-N 1 0 382.472 1.405 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)s1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001571119524 952492089 /nfs/dbraw/zinc/49/20/89/952492089.db2.gz BZTHUMBJWMESON-CYBMUJFWSA-N 1 0 375.502 1.992 20 0 GDADRO O=C(C1CC(F)(F)C1)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571120867 952510359 /nfs/dbraw/zinc/51/03/59/952510359.db2.gz RYGCDFYUAYQXIX-CYBMUJFWSA-N 1 0 376.411 1.850 20 0 GDADRO Cc1nsc(NC[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)c1-c1nn[nH]n1 ZINC001571122828 952526491 /nfs/dbraw/zinc/52/64/91/952526491.db2.gz MDTQAJBSGHDKDF-NEPJUHHUSA-N 1 0 376.490 1.129 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1C[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2C1 ZINC001571124196 952535327 /nfs/dbraw/zinc/53/53/27/952535327.db2.gz ASNNFCDQFVRGCD-BETUJISGSA-N 1 0 377.399 1.244 20 0 GDADRO Cc1ccccc1CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571128667 952570290 /nfs/dbraw/zinc/57/02/90/952570290.db2.gz WIXBMDJTQOSJKD-KSSFIOAISA-N 1 0 377.452 1.494 20 0 GDADRO C[C@]12CN(C(=O)c3ccc[nH]3)C[C@H]1C[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001571129034 952573207 /nfs/dbraw/zinc/57/32/07/952573207.db2.gz ZPZUGNQOJCBOMV-UZLBHIALSA-N 1 0 377.452 1.789 20 0 GDADRO OC1(C[NH+]2CCCCC2)CCN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC1 ZINC001571130871 952582711 /nfs/dbraw/zinc/58/27/11/952582711.db2.gz XLTVKRZAJCMBBE-UHFFFAOYSA-N 1 0 377.880 1.732 20 0 GDADRO Cc1cnc(C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571134016 952585422 /nfs/dbraw/zinc/58/54/22/952585422.db2.gz BMCQQPTUVUPNAO-CQSZACIVSA-N 1 0 378.440 1.412 20 0 GDADRO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC001571134254 952587302 /nfs/dbraw/zinc/58/73/02/952587302.db2.gz GOCCNJOMUMXVOI-PXAZEXFGSA-N 1 0 378.440 1.215 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571134243 952587353 /nfs/dbraw/zinc/58/73/53/952587353.db2.gz DBCCSMRDPQIWHS-CJNGLKHVSA-N 1 0 378.440 1.155 20 0 GDADRO Cc1ccnc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001571134269 952588286 /nfs/dbraw/zinc/58/82/86/952588286.db2.gz GUOBSESWKOMUGG-MRXNPFEDSA-N 1 0 378.440 1.360 20 0 GDADRO CN(C(=O)c1cncnc1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571134724 952594409 /nfs/dbraw/zinc/59/44/09/952594409.db2.gz KOUZGCVUVLYSFV-UHFFFAOYSA-N 1 0 378.440 1.393 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)c3ccc(C)c(C)n3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135201 952600410 /nfs/dbraw/zinc/60/04/10/952600410.db2.gz RAQZYTKUCXIJTD-CQSZACIVSA-N 1 0 378.440 1.591 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ccncn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571135287 952601677 /nfs/dbraw/zinc/60/16/77/952601677.db2.gz STDWDFZPJVXSFF-CJNGLKHVSA-N 1 0 378.440 1.440 20 0 GDADRO CC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN(C(=O)c2cccnn2)CC1 ZINC001571135615 952606900 /nfs/dbraw/zinc/60/69/00/952606900.db2.gz YTYZZKXPJLNVNL-UHFFFAOYSA-N 1 0 378.440 1.441 20 0 GDADRO CC[C@@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@H](C)C1 ZINC001571135881 952610024 /nfs/dbraw/zinc/61/00/24/952610024.db2.gz GWLWAECGASVKRQ-KCPJHIHWSA-N 1 0 378.427 1.938 20 0 GDADRO Cc1ncncc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571141007 952630594 /nfs/dbraw/zinc/63/05/94/952630594.db2.gz FHZJFHTXRBREMD-KOMQPUFPSA-N 1 0 378.440 1.263 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571141279 952632900 /nfs/dbraw/zinc/63/29/00/952632900.db2.gz XBPFZGOMSRTOAE-YPMHNXCESA-N 1 0 379.415 1.824 20 0 GDADRO O=C(c1ccccn1)N1CCC(CCNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571141957 952637879 /nfs/dbraw/zinc/63/78/79/952637879.db2.gz LUHGWQOMULWWNQ-UHFFFAOYSA-N 1 0 378.440 1.433 20 0 GDADRO Cc1conc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571142446 952641850 /nfs/dbraw/zinc/64/18/50/952641850.db2.gz WFOSFOPDHIOODJ-HZPDHXFCSA-N 1 0 379.424 1.510 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571142507 952643320 /nfs/dbraw/zinc/64/33/20/952643320.db2.gz SQCGGRYEDKITAG-QKPAOTATSA-N 1 0 378.440 1.130 20 0 GDADRO CS[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571142581 952644152 /nfs/dbraw/zinc/64/41/52/952644152.db2.gz UYYUZNPJJNIEHL-UEKVPHQBSA-N 1 0 378.477 1.694 20 0 GDADRO Cn1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)c1 ZINC001571151092 952672621 /nfs/dbraw/zinc/67/26/21/952672621.db2.gz LEBVLSKFVTVXHY-QGZVFWFLSA-N 1 0 379.468 1.990 20 0 GDADRO Cc1ccc(CC[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C)cc1 ZINC001571151757 952677745 /nfs/dbraw/zinc/67/77/45/952677745.db2.gz WPRWDODUAWMLIS-GOEBONIOSA-N 1 0 379.468 1.939 20 0 GDADRO Cc1ccc(CC[NH2+][C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cc1 ZINC001571151875 952680419 /nfs/dbraw/zinc/68/04/19/952680419.db2.gz ZTSLAOKSQIKFEJ-INIZCTEOSA-N 1 0 379.468 1.940 20 0 GDADRO Cc1cc(N(C)[C@@H]2CCN(C(=O)c3ccnc(C)n3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571156819 952705752 /nfs/dbraw/zinc/70/57/52/952705752.db2.gz KPEHWGRMUUMVIM-CYBMUJFWSA-N 1 0 379.428 1.019 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571166753 952763686 /nfs/dbraw/zinc/76/36/86/952763686.db2.gz PRZVGSLYDNFADE-WKILWMFISA-N 1 0 380.456 1.695 20 0 GDADRO CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571166903 952766258 /nfs/dbraw/zinc/76/62/58/952766258.db2.gz RJQHZPRLSZFIIL-DLBZAZTESA-N 1 0 380.456 1.094 20 0 GDADRO CC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001571166910 952766955 /nfs/dbraw/zinc/76/69/55/952766955.db2.gz RKRVNJZOURLWDZ-UHFFFAOYSA-N 1 0 380.456 1.303 20 0 GDADRO CC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC001571167250 952772310 /nfs/dbraw/zinc/77/23/10/952772310.db2.gz ZVQGBNAEDKRZQQ-BBRMVZONSA-N 1 0 380.456 1.620 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C[C@@H]1C ZINC001571169833 952779138 /nfs/dbraw/zinc/77/91/38/952779138.db2.gz OVOLIILPRSTHEB-WFASDCNBSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1ncc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1C ZINC001571169902 952780999 /nfs/dbraw/zinc/78/09/99/952780999.db2.gz QAUUYIFCGBIHNU-CTYIDZIISA-N 1 0 380.456 1.207 20 0 GDADRO Cc1ccn(C)c1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571170884 952789420 /nfs/dbraw/zinc/78/94/20/952789420.db2.gz YPUYMFRXANWLDR-KGLIPLIRSA-N 1 0 380.456 1.436 20 0 GDADRO Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571172202 952803300 /nfs/dbraw/zinc/80/33/00/952803300.db2.gz PBDGGWKFQBBECN-CVEARBPZSA-N 1 0 380.456 1.289 20 0 GDADRO Cc1ncccc1C[N@@H+]1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](C)C1 ZINC001571172523 952807477 /nfs/dbraw/zinc/80/74/77/952807477.db2.gz WFWZSTASLULDIY-MLGOLLRUSA-N 1 0 380.456 1.396 20 0 GDADRO O=C(Cn1cccn1)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571172853 952809636 /nfs/dbraw/zinc/80/96/36/952809636.db2.gz ZOBGQQLZPCHMHE-MRXNPFEDSA-N 1 0 380.456 1.234 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CN1C(=O)c1ccncc1 ZINC001571178203 952835552 /nfs/dbraw/zinc/83/55/52/952835552.db2.gz BCGWABJLEDEHAU-DOMZBBRYSA-N 1 0 381.415 1.794 20 0 GDADRO O=C(NCc1ccc(C[NH2+]C[C@H]2CCOC2)cc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571179375 952852561 /nfs/dbraw/zinc/85/25/61/952852561.db2.gz CBJXNEZTYNDKPY-OAHLLOKOSA-N 1 0 381.440 1.251 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)o1 ZINC001571179393 952853643 /nfs/dbraw/zinc/85/36/43/952853643.db2.gz CZYMHPDOIRXGLI-SJCJKPOMSA-N 1 0 381.440 1.485 20 0 GDADRO Cc1noc(C)c1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571179665 952856793 /nfs/dbraw/zinc/85/67/93/952856793.db2.gz IMXQKZOLFFMSCU-OTVXOJSOSA-N 1 0 381.440 1.770 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)no1 ZINC001571179946 952857311 /nfs/dbraw/zinc/85/73/11/952857311.db2.gz KUSUVOKEHFILGZ-LSDHHAIUSA-N 1 0 381.440 1.994 20 0 GDADRO Cc1conc1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571181370 952862726 /nfs/dbraw/zinc/86/27/26/952862726.db2.gz VLVFFQUOTUSKSU-CQSZACIVSA-N 1 0 381.440 1.805 20 0 GDADRO Cc1ncoc1C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571181405 952864449 /nfs/dbraw/zinc/86/44/49/952864449.db2.gz WEFLUGHNYUQTED-HZPDHXFCSA-N 1 0 381.440 1.851 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(-c3cccc(-c4nn[nH]n4)c3)no2)C1(C)C ZINC001571182660 952867007 /nfs/dbraw/zinc/86/70/07/952867007.db2.gz AWXUWPZGBBHOQO-CVEARBPZSA-N 1 0 381.440 1.980 20 0 GDADRO COc1cccc(C[NH2+][C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571182689 952867570 /nfs/dbraw/zinc/86/75/70/952867570.db2.gz BQCQHABMVFIBCB-HNNXBMFYSA-N 1 0 381.440 1.598 20 0 GDADRO CCc1nc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571183075 952873532 /nfs/dbraw/zinc/87/35/32/952873532.db2.gz NQZPIUGIAGHNIZ-OAHLLOKOSA-N 1 0 381.440 1.764 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001571183154 952874545 /nfs/dbraw/zinc/87/45/45/952874545.db2.gz QDUMBURJMHTKKN-AWEZNQCLSA-N 1 0 381.440 1.378 20 0 GDADRO CCc1nc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c(C)o1 ZINC001571183418 952877383 /nfs/dbraw/zinc/87/73/83/952877383.db2.gz ZVODBSQURGEKIC-OAHLLOKOSA-N 1 0 381.440 1.730 20 0 GDADRO O=C(NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1)c1ccncc1 ZINC001571183374 952877394 /nfs/dbraw/zinc/87/73/94/952877394.db2.gz YWOXOPRCAWKENJ-UHFFFAOYSA-N 1 0 381.415 1.795 20 0 GDADRO Cc1[nH]nc(C(=O)N[C@@H]2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c1C ZINC001571186302 952906551 /nfs/dbraw/zinc/90/65/51/952906551.db2.gz WDECDGBBZCVJKT-GXTWGEPZSA-N 1 0 381.444 1.034 20 0 GDADRO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 ZINC001571188595 952916703 /nfs/dbraw/zinc/91/67/03/952916703.db2.gz LMWIVAFVEUQYJK-STQMWFEESA-N 1 0 381.444 1.106 20 0 GDADRO CC(F)(F)C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571194144 952958637 /nfs/dbraw/zinc/95/86/37/952958637.db2.gz JAALPEQXSXGUPM-NSHDSACASA-N 1 0 382.390 1.989 20 0 GDADRO C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)CC1CCN(C(=O)C(F)F)CC1 ZINC001571194355 952962252 /nfs/dbraw/zinc/96/22/52/952962252.db2.gz MNICQBYFQRTNJD-UHFFFAOYSA-N 1 0 382.390 1.941 20 0 GDADRO C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571195538 952976857 /nfs/dbraw/zinc/97/68/57/952976857.db2.gz BEZRUGRTFWXODO-BDJLRTHQSA-N 1 0 382.403 1.046 20 0 GDADRO Cc1cc(N2C[C@@H](C)[C@H](NC(=O)c3ncccc3F)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571195825 952978556 /nfs/dbraw/zinc/97/85/56/952978556.db2.gz GESYKFNNZQBDDN-QMTHXVAHSA-N 1 0 382.403 1.359 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)c3ncccc3F)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571196927 952984728 /nfs/dbraw/zinc/98/47/28/952984728.db2.gz QAHPPKUOSZYPMO-BONVTDFDSA-N 1 0 382.403 1.099 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC001571197442 952990039 /nfs/dbraw/zinc/99/00/39/952990039.db2.gz ZYKYGDOVMJYOLN-CYBMUJFWSA-N 1 0 382.403 1.142 20 0 GDADRO CCc1noc(C)c1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571198974 952994852 /nfs/dbraw/zinc/99/48/52/952994852.db2.gz JGBTYDZFWAPIMS-GFCCVEGCSA-N 1 0 382.428 1.259 20 0 GDADRO CC[C@H]1CN(C(=O)c2oncc2C)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571200721 953010532 /nfs/dbraw/zinc/01/05/32/953010532.db2.gz KPOAEDWMWPHDIC-GXTWGEPZSA-N 1 0 382.428 1.333 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)no1 ZINC001571201019 953014091 /nfs/dbraw/zinc/01/40/91/953014091.db2.gz IDDQIRQRXCBFMC-TZMCWYRMSA-N 1 0 382.428 1.299 20 0 GDADRO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C[C@@H]3C2)on1 ZINC001571201913 953021072 /nfs/dbraw/zinc/02/10/72/953021072.db2.gz PEVMUGCPLCPSSX-OLZOCXBDSA-N 1 0 382.428 1.085 20 0 GDADRO Cc1cc(C(=O)N2CCCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)no1 ZINC001571201974 953021866 /nfs/dbraw/zinc/02/18/66/953021866.db2.gz PRBKEOPLOGAYQV-CYBMUJFWSA-N 1 0 382.428 1.395 20 0 GDADRO Cc1nocc1C(=O)N[C@@H]1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202669 953027660 /nfs/dbraw/zinc/02/76/60/953027660.db2.gz XLAZJIINOKMXPV-CHWSQXEVSA-N 1 0 382.428 1.442 20 0 GDADRO Cc1noc(C)c1C[N@@H+]1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001571205583 953039101 /nfs/dbraw/zinc/03/91/01/953039101.db2.gz JWFSYCBMFKIALY-UHFFFAOYSA-N 1 0 382.428 1.148 20 0 GDADRO COc1ccc(C[NH+]2CCC3(C[C@H]3NC(=O)C3CC3)CC2)cc1-c1nn[nH]n1 ZINC001571209662 953065977 /nfs/dbraw/zinc/06/59/77/953065977.db2.gz AODZPPJXAJQTRA-QGZVFWFLSA-N 1 0 382.468 1.756 20 0 GDADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571211535 953077931 /nfs/dbraw/zinc/07/79/31/953077931.db2.gz AXZFELJLHRSKDV-TVFCKZIOSA-N 1 0 382.468 1.515 20 0 GDADRO COc1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)on1 ZINC001571219759 953127288 /nfs/dbraw/zinc/12/72/88/953127288.db2.gz SCRQHFAVCUTHPQ-LBPRGKRZSA-N 1 0 383.412 1.115 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3coc(C)n3)C2)cc1-c1nn[nH]n1 ZINC001571220150 953129630 /nfs/dbraw/zinc/12/96/30/953129630.db2.gz XYSKVSSBFQRXIO-CYBMUJFWSA-N 1 0 383.412 1.176 20 0 GDADRO Cc1nonc1C(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571228237 953163270 /nfs/dbraw/zinc/16/32/70/953163270.db2.gz LNUYHJFACSVCNF-GFCCVEGCSA-N 1 0 383.416 1.084 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571229314 953169265 /nfs/dbraw/zinc/16/92/65/953169265.db2.gz CBKFRNNPQLSKEV-MRXNPFEDSA-N 1 0 383.431 1.771 20 0 GDADRO Cc1ccc(F)cc1C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571229552 953170603 /nfs/dbraw/zinc/17/06/03/953170603.db2.gz IMURINFYGJRYAU-HNNXBMFYSA-N 1 0 383.431 1.989 20 0 GDADRO CC[C@@H]1CN(C(=O)C2=CCOCC2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571231517 953184609 /nfs/dbraw/zinc/18/46/09/953184609.db2.gz ZGMVUUIGCDVXOS-CJNGLKHVSA-N 1 0 383.456 1.069 20 0 GDADRO CC(C)(C)n1cc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 ZINC001571232726 953188275 /nfs/dbraw/zinc/18/82/75/953188275.db2.gz JYYLHZOSYIJYAC-CQSZACIVSA-N 1 0 383.460 1.151 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)s1 ZINC001571233815 953195934 /nfs/dbraw/zinc/19/59/34/953195934.db2.gz FDONDRMXPRQDFT-AWEZNQCLSA-N 1 0 383.481 1.944 20 0 GDADRO Cc1ncsc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC001571234004 953198501 /nfs/dbraw/zinc/19/85/01/953198501.db2.gz KHKWDHRYFBVEGT-NHYWBVRUSA-N 1 0 383.481 1.882 20 0 GDADRO Cc1ncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)s1 ZINC001571234059 953198580 /nfs/dbraw/zinc/19/85/80/953198580.db2.gz MCQVFMJUXAAOQQ-OAHLLOKOSA-N 1 0 383.481 1.978 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2cccs2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571234164 953199744 /nfs/dbraw/zinc/19/97/44/953199744.db2.gz OLOWCPSJQMLPSO-MLGOLLRUSA-N 1 0 383.481 1.637 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCN2C)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234676 953204299 /nfs/dbraw/zinc/20/42/99/953204299.db2.gz FSVQKJUQNIFUHW-JLSDUUJJSA-N 1 0 383.500 1.430 20 0 GDADRO O=C(CCc1ccoc1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571238934 953233815 /nfs/dbraw/zinc/23/38/15/953233815.db2.gz CPJFWWOLJTUPCP-HNNXBMFYSA-N 1 0 384.415 1.922 20 0 GDADRO Cc1c[nH]c(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001571239218 953236975 /nfs/dbraw/zinc/23/69/75/953236975.db2.gz HVUMXRMDXFYPHU-CQSZACIVSA-N 1 0 384.419 1.432 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1cn[nH]c1 ZINC001571241796 953249718 /nfs/dbraw/zinc/24/97/18/953249718.db2.gz LXLCKBUYJLVQED-LBPRGKRZSA-N 1 0 384.419 1.371 20 0 GDADRO CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001571242972 953261767 /nfs/dbraw/zinc/26/17/67/953261767.db2.gz SFQNJNLURRAUGZ-WCQYABFASA-N 1 0 384.444 1.528 20 0 GDADRO CC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1[NH2+]Cc1ncc(C)o1 ZINC001571243161 953263209 /nfs/dbraw/zinc/26/32/09/953263209.db2.gz XQUIVCGMZDVVSQ-GXTWGEPZSA-N 1 0 384.444 1.522 20 0 GDADRO Cc1cc(NC[C@@H]2CCCCN2C(=O)c2ccsn2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245571 953274594 /nfs/dbraw/zinc/27/45/94/953274594.db2.gz VQSFTCGCSNFMFM-LBPRGKRZSA-N 1 0 384.469 1.555 20 0 GDADRO Cc1ncc(C(=O)NC[C@@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571245625 953275512 /nfs/dbraw/zinc/27/55/12/953275512.db2.gz XEZLBZXRYMGGPE-TXEJJXNPSA-N 1 0 384.469 1.377 20 0 GDADRO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001571247646 953284233 /nfs/dbraw/zinc/28/42/33/953284233.db2.gz BNFBNRGMVYVTBY-TVFCKZIOSA-N 1 0 384.484 1.210 20 0 GDADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)s1)c1cn[nH]c1 ZINC001571247724 953285611 /nfs/dbraw/zinc/28/56/11/953285611.db2.gz CKCKJQMMVZNNES-YHWZYXNKSA-N 1 0 384.469 1.577 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571247791 953286611 /nfs/dbraw/zinc/28/66/11/953286611.db2.gz FARXOLLTBWJLJB-JZXOWHBKSA-N 1 0 384.484 1.620 20 0 GDADRO CC1(C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCOCC1 ZINC001571248161 953290330 /nfs/dbraw/zinc/29/03/30/953290330.db2.gz MLKHKHQALRKSKZ-MRXNPFEDSA-N 1 0 384.484 1.622 20 0 GDADRO CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571248679 953295947 /nfs/dbraw/zinc/29/59/47/953295947.db2.gz XKIKQJNICHQKOM-MJGOQNOKSA-N 1 0 384.484 1.762 20 0 GDADRO C[N@H+](CC(=O)N1CCC(c2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCC[C@H]1O ZINC001571248677 953296477 /nfs/dbraw/zinc/29/64/77/953296477.db2.gz XJPXVUFVZQHGKR-QZTJIDSGSA-N 1 0 384.484 1.418 20 0 GDADRO O=C(CCC1CC1)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571249218 953302311 /nfs/dbraw/zinc/30/23/11/953302311.db2.gz GBTUNDIHZBCDPZ-SFHVURJKSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCCCO1 ZINC001571249953 953308534 /nfs/dbraw/zinc/30/85/34/953308534.db2.gz MUIFVCKSNYSQSV-YJBOKZPZSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001571250184 953309283 /nfs/dbraw/zinc/30/92/83/953309283.db2.gz NYVIVLBAADYVSH-GDBMZVCRSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001571250270 953310456 /nfs/dbraw/zinc/31/04/56/953310456.db2.gz PVCZMUPXCZKNJF-AWEZNQCLSA-N 1 0 384.488 1.031 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NCC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001571251837 953320199 /nfs/dbraw/zinc/32/01/99/953320199.db2.gz AXQKCJKXASJMBG-GDBMZVCRSA-N 1 0 384.488 1.315 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2CCC(N(C)c3ccc(-c4nn[nH]n4)nc3)CC2)CC[N@@H+]1C ZINC001571252006 953321514 /nfs/dbraw/zinc/32/15/14/953321514.db2.gz DXSBWPULLMHGNR-CZUORRHYSA-N 1 0 384.488 1.029 20 0 GDADRO Cc1nc(N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)ccc1-c1nn[nH]n1 ZINC001571252640 953330891 /nfs/dbraw/zinc/33/08/91/953330891.db2.gz SGKPFSSOWWXEEI-HNNXBMFYSA-N 1 0 384.488 1.315 20 0 GDADRO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)ccc1-c1nn[nH]n1 ZINC001571252626 953331162 /nfs/dbraw/zinc/33/11/62/953331162.db2.gz RYDBQEUGDGUMDD-BZUAXINKSA-N 1 0 384.488 1.504 20 0 GDADRO Cc1cc(C(=O)N2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C)no1 ZINC001571253890 953335288 /nfs/dbraw/zinc/33/52/88/953335288.db2.gz ASBRLMVRRSEHBP-IINYFYTJSA-N 1 0 385.403 1.695 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cnco1 ZINC001571254251 953337465 /nfs/dbraw/zinc/33/74/65/953337465.db2.gz FELWNLBHJKLKKT-AAEUAGOBSA-N 1 0 385.403 1.777 20 0 GDADRO C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)c1ccncc1Cl ZINC001571254462 953339453 /nfs/dbraw/zinc/33/94/53/953339453.db2.gz DISPYPHKQXQRGZ-QWRGUYRKSA-N 1 0 384.831 1.447 20 0 GDADRO CCc1oncc1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571254548 953339963 /nfs/dbraw/zinc/33/99/63/953339963.db2.gz HBMIXRMMQIHJJU-CYBMUJFWSA-N 1 0 385.403 1.561 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001571255167 953345731 /nfs/dbraw/zinc/34/57/31/953345731.db2.gz LXNADQMSAMFFIL-AAEUAGOBSA-N 1 0 385.403 1.634 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)co1 ZINC001571255803 953356222 /nfs/dbraw/zinc/35/62/22/953356222.db2.gz UCUOMMYNYQOIQO-AWEZNQCLSA-N 1 0 385.403 1.697 20 0 GDADRO C[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571256376 953369966 /nfs/dbraw/zinc/36/99/66/953369966.db2.gz WLNAMIJXCMEGHL-MEBBXXQBSA-N 1 0 385.378 1.534 20 0 GDADRO COC[C@]1(C(=O)[O-])CC[N@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001593966629 956554514 /nfs/dbraw/zinc/55/45/14/956554514.db2.gz KIZLROSZKYTYKW-KRWDZBQOSA-N 1 0 386.395 1.993 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC001261908686 969691106 /nfs/dbraw/zinc/69/11/06/969691106.db2.gz WBMBKWMAOBMFRT-GOSISDBHSA-N 1 0 388.512 1.399 20 0 GDADRO O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)cc2)CC1 ZINC000911338761 982362272 /nfs/dbraw/zinc/36/22/72/982362272.db2.gz CQWMHXKYWWGHLI-RTBURBONSA-N 1 0 386.496 1.849 20 0 GDADRO CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC001596265244 983683454 /nfs/dbraw/zinc/68/34/54/983683454.db2.gz KIMOWKMCYTVMEY-LSDHHAIUSA-N 1 0 375.460 1.512 20 0 GDADRO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2ccc(F)c(Br)c2)CC1 ZINC001598616312 993888070 /nfs/dbraw/zinc/88/80/70/993888070.db2.gz DRMBTKBUCCLQNY-UHFFFAOYSA-N 1 0 388.281 1.722 20 0 GDADRO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001598616983 993903016 /nfs/dbraw/zinc/90/30/16/993903016.db2.gz MSCJBQOGVLITJX-HXUWFJFHSA-N 1 0 398.548 1.268 20 0 GDADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)c1 ZINC000466907123 1126093833 /nfs/dbraw/zinc/09/38/33/1126093833.db2.gz VLVHVZUJDJPXFW-OALUTQOASA-N 1 0 377.510 1.418 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)cc1 ZINC000873191502 1126119203 /nfs/dbraw/zinc/11/92/03/1126119203.db2.gz NTVZQCUKMDEHFE-NRFANRHFSA-N 1 0 388.512 1.657 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)cc1OC ZINC000873192277 1126120418 /nfs/dbraw/zinc/12/04/18/1126120418.db2.gz CLLANBUXNYQAFZ-FXAWDEMLSA-N 1 0 390.484 1.558 20 0 GDADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccn1)C(F)(F)F ZINC001582808981 1126215322 /nfs/dbraw/zinc/21/53/22/1126215322.db2.gz OJMIAXLFSQHVTQ-HUUCEWRRSA-N 1 0 378.358 1.886 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000007956972 530547794 /nfs/dbraw/zinc/54/77/94/530547794.db2.gz KGCIFNCNMCZVHO-UHFFFAOYSA-N 1 0 387.571 1.853 20 0 GDADRO CC(C)[C@@](C)(C[NH3+])NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000158278094 530531425 /nfs/dbraw/zinc/53/14/25/530531425.db2.gz KNBXTXWDQKVBAN-OAHLLOKOSA-N 1 0 391.331 1.854 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1Br ZINC000158938850 530537670 /nfs/dbraw/zinc/53/76/70/530537670.db2.gz OOFKFHANUOLEDH-ZDUSSCGKSA-N 1 0 391.331 1.883 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1Br ZINC000158938986 530537805 /nfs/dbraw/zinc/53/78/05/530537805.db2.gz OOFKFHANUOLEDH-CYBMUJFWSA-N 1 0 391.331 1.883 20 0 GDADRO Cc1cccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c1Br ZINC000159005693 530539239 /nfs/dbraw/zinc/53/92/39/530539239.db2.gz MKTZTBFPHRENDD-UHFFFAOYSA-N 1 0 391.331 1.883 20 0 GDADRO CN(CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C(=O)c1ccc(Br)s1 ZINC000159112209 530539866 /nfs/dbraw/zinc/53/98/66/530539866.db2.gz CNHXXETWUSVEMC-OAHLLOKOSA-N 1 0 386.315 1.795 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2sccc2Br)CC1 ZINC000161638816 530562138 /nfs/dbraw/zinc/56/21/38/530562138.db2.gz MTQMJYIMAHSWED-NSHDSACASA-N 1 0 397.360 1.882 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1cnc(Cl)c(Cl)c1 ZINC000161708508 530563364 /nfs/dbraw/zinc/56/33/64/530563364.db2.gz KDIIKHWHWZOGLK-NSHDSACASA-N 1 0 382.313 1.904 20 0 GDADRO CC(C)[C@@H](CCO)[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000161867692 530564517 /nfs/dbraw/zinc/56/45/17/530564517.db2.gz BIOHPMZXIXWOEQ-GOEBONIOSA-N 1 0 388.555 1.260 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000162332573 530567179 /nfs/dbraw/zinc/56/71/79/530567179.db2.gz HACDYTDKHMEGGH-KBPBESRZSA-N 1 0 389.315 1.750 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(F)c(F)cc2I)CCO1 ZINC000163043300 530572783 /nfs/dbraw/zinc/57/27/83/530572783.db2.gz XFJCVJPBQSTVHO-KRTXAFLBSA-N 1 0 396.175 1.758 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000163188376 530574120 /nfs/dbraw/zinc/57/41/20/530574120.db2.gz NLJQENWUKFWOCB-LBPRGKRZSA-N 1 0 399.333 1.862 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2I)C1 ZINC000170845196 530589505 /nfs/dbraw/zinc/58/95/05/530589505.db2.gz BWCVZIWTNFWWGN-SNVBAGLBSA-N 1 0 387.221 1.392 20 0 GDADRO NS(=O)(=O)CCC[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000172157906 530608753 /nfs/dbraw/zinc/60/87/53/530608753.db2.gz KLSKGZXWQZCXDU-UHFFFAOYSA-N 1 0 377.869 1.808 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000172291579 530611377 /nfs/dbraw/zinc/61/13/77/530611377.db2.gz VLCBMTBYJSJDPB-LLVKDONJSA-N 1 0 384.274 1.806 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)c(F)c2)CCOCC1 ZINC000173152270 530624252 /nfs/dbraw/zinc/62/42/52/530624252.db2.gz FYLKJBQFWDGOOH-UHFFFAOYSA-N 1 0 395.294 1.977 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)CSc2ccc(C(F)(F)F)cn2)CC1 ZINC000042590770 530630204 /nfs/dbraw/zinc/63/02/04/530630204.db2.gz BOEHABAWPHGQSK-UHFFFAOYSA-N 1 0 376.448 1.946 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCc3c2cccc3Br)CC1=O ZINC000172758587 530617991 /nfs/dbraw/zinc/61/79/91/530617991.db2.gz IWVFEIAIXDXJQF-LRDDRELGSA-N 1 0 394.313 1.963 20 0 GDADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000041323986 530621227 /nfs/dbraw/zinc/62/12/27/530621227.db2.gz BMEXVMUGCGHYMA-UHFFFAOYSA-N 1 0 397.317 1.530 20 0 GDADRO CCCCS(=O)(=O)N1CCC(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000173048959 530621806 /nfs/dbraw/zinc/62/18/06/530621806.db2.gz RNKYBPFCWQGZRX-OAHLLOKOSA-N 1 0 375.579 1.921 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000174246374 530645474 /nfs/dbraw/zinc/64/54/74/530645474.db2.gz WZAKJAFSHOFNFN-NSHDSACASA-N 1 0 379.452 1.939 20 0 GDADRO C[C@](O)(C[NH2+]Cc1cc2c(c(Br)c1)OCO2)CN1CCOCC1 ZINC000174485960 530650040 /nfs/dbraw/zinc/65/00/40/530650040.db2.gz CAVFOBRXFLWBET-INIZCTEOSA-N 1 0 387.274 1.351 20 0 GDADRO C[NH+](C)Cc1cccc(CNC(=O)Cn2cc(Br)ccc2=O)c1 ZINC000047529141 530660675 /nfs/dbraw/zinc/66/06/75/530660675.db2.gz UMBXEIJWPKYAPH-UHFFFAOYSA-N 1 0 378.270 1.989 20 0 GDADRO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Br)C1 ZINC000050241960 530675875 /nfs/dbraw/zinc/67/58/75/530675875.db2.gz OKWZZBZLXHYKIJ-QMMMGPOBSA-N 1 0 384.093 1.933 20 0 GDADRO O=C1NCCN1C1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000051449863 530679360 /nfs/dbraw/zinc/67/93/60/530679360.db2.gz QJDBQPHEHXMIIH-HNNXBMFYSA-N 1 0 398.301 1.678 20 0 GDADRO O=C(CC[N@@H+]1CCCN(CC(F)(F)F)CC1)NC(=O)NCC(F)(F)F ZINC000177096142 530696785 /nfs/dbraw/zinc/69/67/85/530696785.db2.gz OCHURSFOOVMFBC-UHFFFAOYSA-N 1 0 378.317 1.335 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[N@@H+]1C1CC1 ZINC000177093966 530697006 /nfs/dbraw/zinc/69/70/06/530697006.db2.gz KNCWVMUPYDYBDO-WCQYABFASA-N 1 0 385.917 1.945 20 0 GDADRO Cn1nccc1C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000177557186 530705458 /nfs/dbraw/zinc/70/54/58/530705458.db2.gz QSUWPTGFGMBVJX-CYBMUJFWSA-N 1 0 387.221 1.554 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000177568013 530706264 /nfs/dbraw/zinc/70/62/64/530706264.db2.gz BAHRVZIEXAJJAR-ZDUSSCGKSA-N 1 0 397.317 1.448 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C1CC1 ZINC000055719914 530711720 /nfs/dbraw/zinc/71/17/20/530711720.db2.gz WJQUSFOZGDYRQS-CABCVRRESA-N 1 0 385.555 1.748 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000177947187 530713415 /nfs/dbraw/zinc/71/34/15/530713415.db2.gz JFFFPPLPWPVTJU-HNNXBMFYSA-N 1 0 388.306 1.750 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000056192075 530718397 /nfs/dbraw/zinc/71/83/97/530718397.db2.gz GKVBOJYAQLYVIY-CQSZACIVSA-N 1 0 381.523 1.663 20 0 GDADRO CN(C(=O)CS(=O)(=O)Cc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000179110041 530735758 /nfs/dbraw/zinc/73/57/58/530735758.db2.gz DDUXOLVPLDQJML-ZDUSSCGKSA-N 1 0 375.288 1.184 20 0 GDADRO Cn1nnnc1SCCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061285744 530740249 /nfs/dbraw/zinc/74/02/49/530740249.db2.gz JOKKGBKLDYTIEY-UHFFFAOYSA-N 1 0 378.527 1.880 20 0 GDADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000061476425 530740504 /nfs/dbraw/zinc/74/05/04/530740504.db2.gz IDSSGPUMVXCVFU-QGZVFWFLSA-N 1 0 382.551 1.688 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]Cc2cccc3nccn32)CC1)C(F)(F)F ZINC000179425253 530740679 /nfs/dbraw/zinc/74/06/79/530740679.db2.gz MDRCZOQYJLFNNU-UHFFFAOYSA-N 1 0 376.404 1.986 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000179550488 530743662 /nfs/dbraw/zinc/74/36/62/530743662.db2.gz RLHLSHKTRUWVOR-UHFFFAOYSA-N 1 0 383.290 1.973 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000178587232 530723130 /nfs/dbraw/zinc/72/31/30/530723130.db2.gz VRYYAINZMAGCJY-NSHDSACASA-N 1 0 394.269 1.633 20 0 GDADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000178590423 530723177 /nfs/dbraw/zinc/72/31/77/530723177.db2.gz ITWDCWOBTZZPDC-OAHLLOKOSA-N 1 0 380.432 1.972 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000178654348 530725270 /nfs/dbraw/zinc/72/52/70/530725270.db2.gz GIGDIRCUAWVOPK-GFCCVEGCSA-N 1 0 382.511 1.597 20 0 GDADRO O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H]1CCC[NH2+]1 ZINC000178773932 530727711 /nfs/dbraw/zinc/72/77/11/530727711.db2.gz JDURXXZBBNVMIO-JTQLQIEISA-N 1 0 380.297 1.530 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000178921695 530730540 /nfs/dbraw/zinc/73/05/40/530730540.db2.gz WOGZKUCDVTVWET-LLVKDONJSA-N 1 0 391.287 1.656 20 0 GDADRO CCCN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@@H]1CC[NH2+]C1 ZINC000178933425 530731139 /nfs/dbraw/zinc/73/11/39/530731139.db2.gz WFLAIZPMYRBJAR-SNVBAGLBSA-N 1 0 390.303 1.311 20 0 GDADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000178948599 530732158 /nfs/dbraw/zinc/73/21/58/530732158.db2.gz LNDPGSUJZHNLTM-SNVBAGLBSA-N 1 0 388.287 1.316 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000179014806 530733410 /nfs/dbraw/zinc/73/34/10/530733410.db2.gz PVJFYAVKKXWVBV-OLZOCXBDSA-N 1 0 380.286 1.870 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000179003186 530733507 /nfs/dbraw/zinc/73/35/07/530733507.db2.gz YZOWSEGFSMPWKP-CQSZACIVSA-N 1 0 385.555 1.533 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2cncc(Br)c2)CC1 ZINC000179054680 530734218 /nfs/dbraw/zinc/73/42/18/530734218.db2.gz VJXNQRMQPDPBCJ-UHFFFAOYSA-N 1 0 398.305 1.766 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000058903791 530734596 /nfs/dbraw/zinc/73/45/96/530734596.db2.gz IQQVHHGJXOPWMS-KRWDZBQOSA-N 1 0 375.579 1.875 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000180047873 530755458 /nfs/dbraw/zinc/75/54/58/530755458.db2.gz CGDSUGASZUEHPF-LLVKDONJSA-N 1 0 375.803 1.784 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000066149922 530759445 /nfs/dbraw/zinc/75/94/45/530759445.db2.gz DHQILAVFBCETHC-AWEZNQCLSA-N 1 0 387.571 1.922 20 0 GDADRO Nc1ncc(Cl)cc1S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180197007 530759872 /nfs/dbraw/zinc/75/98/72/530759872.db2.gz MYHXVFQRIICXIZ-UHFFFAOYSA-N 1 0 381.889 1.907 20 0 GDADRO CC(C)[N@H+](C)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000063738434 530747009 /nfs/dbraw/zinc/74/70/09/530747009.db2.gz ZJIOXKGNZHOMED-ZDUSSCGKSA-N 1 0 375.922 1.853 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000179705760 530748020 /nfs/dbraw/zinc/74/80/20/530748020.db2.gz GVYRMVIBZCXVDL-UHFFFAOYSA-N 1 0 399.289 1.318 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cc(N)nc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179753356 530748939 /nfs/dbraw/zinc/74/89/39/530748939.db2.gz BYBBEXLIWDQFMH-CYBMUJFWSA-N 1 0 388.921 1.288 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000180765505 530771752 /nfs/dbraw/zinc/77/17/52/530771752.db2.gz DKOYCAGZVZPERX-MFKMUULPSA-N 1 0 379.404 1.409 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000180956060 530774770 /nfs/dbraw/zinc/77/47/70/530774770.db2.gz YHAILOGNNDYACZ-INIZCTEOSA-N 1 0 386.539 1.315 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)s1 ZINC000067706035 530778537 /nfs/dbraw/zinc/77/85/37/530778537.db2.gz YAZGZRVLRJJKMJ-CYBMUJFWSA-N 1 0 388.559 1.576 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(Br)cnc2Cl)CC1 ZINC000067806992 530779758 /nfs/dbraw/zinc/77/97/58/530779758.db2.gz FWOHGARFNUQBBH-UHFFFAOYSA-N 1 0 389.681 1.344 20 0 GDADRO Cc1nc(C)c(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000181480322 530784494 /nfs/dbraw/zinc/78/44/94/530784494.db2.gz KJUWXANUMLTYAJ-INIZCTEOSA-N 1 0 381.523 1.805 20 0 GDADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000068211728 530785158 /nfs/dbraw/zinc/78/51/58/530785158.db2.gz NDBQKNPRILPTKQ-LXTVHRRPSA-N 1 0 387.571 1.898 20 0 GDADRO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000066664898 530765687 /nfs/dbraw/zinc/76/56/87/530765687.db2.gz BTDFVELEZVJGPZ-RRQGHBQHSA-N 1 0 390.933 1.792 20 0 GDADRO CCN(C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000066884333 530768884 /nfs/dbraw/zinc/76/88/84/530768884.db2.gz CATYFSGRNLABKM-MRXNPFEDSA-N 1 0 390.933 1.826 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)C[C@@H](C)O1 ZINC000069870371 530800247 /nfs/dbraw/zinc/80/02/47/530800247.db2.gz VFPAGUUOGTZTBC-HZPDHXFCSA-N 1 0 391.603 1.682 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071027855 530803891 /nfs/dbraw/zinc/80/38/91/530803891.db2.gz GTMHTOHPUVTTPV-UHFFFAOYSA-N 1 0 377.451 1.831 20 0 GDADRO CCS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000182901522 530806524 /nfs/dbraw/zinc/80/65/24/530806524.db2.gz TZTWNVZGJROJGZ-NSHDSACASA-N 1 0 389.315 1.924 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000068470809 530788522 /nfs/dbraw/zinc/78/85/22/530788522.db2.gz KVBBZFPBVIVWAW-ZBFHGGJFSA-N 1 0 387.571 1.543 20 0 GDADRO CN(C)C(=O)C[NH+]1CCC(Nc2ncnc3c2c(Br)nn3C)CC1 ZINC000068773096 530790856 /nfs/dbraw/zinc/79/08/56/530790856.db2.gz JVHLITYOYHJNLB-UHFFFAOYSA-N 1 0 396.293 1.090 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1cc2ccccc2s1 ZINC000184382753 530827346 /nfs/dbraw/zinc/82/73/46/530827346.db2.gz LAGVAEHRANKUNI-ZDUSSCGKSA-N 1 0 383.539 1.950 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)CCn2cc(Br)ccc2=O)n1 ZINC000102491685 530828166 /nfs/dbraw/zinc/82/81/66/530828166.db2.gz ILAOCDUXQKCGHS-UHFFFAOYSA-N 1 0 382.262 1.398 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000103123703 530832996 /nfs/dbraw/zinc/83/29/96/530832996.db2.gz VLDBPODZLYNCJW-UHFFFAOYSA-N 1 0 398.276 1.968 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103453430 530834768 /nfs/dbraw/zinc/83/47/68/530834768.db2.gz VBQPLQQTESUDAM-ZDUSSCGKSA-N 1 0 387.933 1.807 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000185029745 530835007 /nfs/dbraw/zinc/83/50/07/530835007.db2.gz FUGOQCLLDLONMI-OAHLLOKOSA-N 1 0 376.544 1.418 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000182988860 530808802 /nfs/dbraw/zinc/80/88/02/530808802.db2.gz RDAGHRYONBDIJP-SNVBAGLBSA-N 1 0 382.258 1.994 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000183455792 530815429 /nfs/dbraw/zinc/81/54/29/530815429.db2.gz STEPHUPHSJNIOZ-JTQLQIEISA-N 1 0 382.258 1.852 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)c2nc3ncc(Br)cn3n2)C[C@@H](C)O1 ZINC000097372800 530820949 /nfs/dbraw/zinc/82/09/49/530820949.db2.gz HHYMDGPONDBXDA-GHMZBOCLSA-N 1 0 397.277 1.116 20 0 GDADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@@H](CO)c2cccc(Br)c2)C1 ZINC000183909314 530821297 /nfs/dbraw/zinc/82/12/97/530821297.db2.gz FQVXMHRLBWEQSO-DOMZBBRYSA-N 1 0 391.331 1.744 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000183921229 530822069 /nfs/dbraw/zinc/82/20/69/530822069.db2.gz AQDUSAXWLZAUCJ-CYBMUJFWSA-N 1 0 398.301 1.232 20 0 GDADRO C[C@H](C(=O)N1CCC[N@H+](C)CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000098143358 530823071 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CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000106893843 530850775 /nfs/dbraw/zinc/85/07/75/530850775.db2.gz OUHSGHMWYFHNHQ-ZDUSSCGKSA-N 1 0 375.897 1.880 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cc(F)ccc3Cl)C2)CC1 ZINC000106894022 530850828 /nfs/dbraw/zinc/85/08/28/530850828.db2.gz HDZKEYQEPCZQPF-AWEZNQCLSA-N 1 0 375.897 1.880 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(Br)c1 ZINC000106895630 530851836 /nfs/dbraw/zinc/85/18/36/530851836.db2.gz AKULSFRNEZEEIP-GFCCVEGCSA-N 1 0 376.320 1.363 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)C1CCS(=O)(=O)CC1 ZINC000187553611 530874576 /nfs/dbraw/zinc/87/45/76/530874576.db2.gz YTNSSRVENMQMJJ-AWEZNQCLSA-N 1 0 386.539 1.529 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)s2)CC1 ZINC000186759058 530861880 /nfs/dbraw/zinc/86/18/80/530861880.db2.gz UILISFUWMBKFFE-ZIAGYGMSSA-N 1 0 385.555 1.897 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000186876630 530864855 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CCN(CCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000105401596 530842303 /nfs/dbraw/zinc/84/23/03/530842303.db2.gz IGVNPRWKYQSFSK-ZDUSSCGKSA-N 1 0 392.319 1.237 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+]3CCC2CC3)s1 ZINC000188653760 530898609 /nfs/dbraw/zinc/89/86/09/530898609.db2.gz LRAPBPGUWWPZLN-HNNXBMFYSA-N 1 0 383.539 1.516 20 0 GDADRO CN(CC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Br)o1 ZINC000115442919 530900579 /nfs/dbraw/zinc/90/05/79/530900579.db2.gz MJCDLGVIOMTFDS-GFCCVEGCSA-N 1 0 386.290 1.914 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)c1ccccc1Cl ZINC000115871332 530901858 /nfs/dbraw/zinc/90/18/58/530901858.db2.gz FPALMIMVURADQT-SWLSCSKDSA-N 1 0 375.922 1.777 20 0 GDADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)n2)cc1 ZINC000188845009 530902842 /nfs/dbraw/zinc/90/28/42/530902842.db2.gz LEXISRWAQJUKRI-CMPLNLGQSA-N 1 0 384.458 1.820 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000187728381 530877429 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NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)co1 ZINC000119833763 530931919 /nfs/dbraw/zinc/93/19/19/530931919.db2.gz FKJZCBUFZWMWBP-GFCCVEGCSA-N 1 0 383.495 1.631 20 0 GDADRO CC[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CC[N@@H+]1CCOC ZINC000117307738 530912108 /nfs/dbraw/zinc/91/21/08/530912108.db2.gz ATHULZMNRZMVJP-AWEZNQCLSA-N 1 0 386.290 1.180 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000118577779 530918198 /nfs/dbraw/zinc/91/81/98/530918198.db2.gz MYKQTRPIMCFNCK-LRDDRELGSA-N 1 0 389.327 1.962 20 0 GDADRO COc1cc(Br)c(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1OC ZINC000189686113 530918915 /nfs/dbraw/zinc/91/89/15/530918915.db2.gz QUJRXHSLPUYNQD-UHFFFAOYSA-N 1 0 393.303 1.447 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000118898836 530919563 /nfs/dbraw/zinc/91/95/63/530919563.db2.gz MOOVAANVEQVUBO-LLVKDONJSA-N 1 0 384.274 1.854 20 0 GDADRO O=C(Nc1cccc(I)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189802518 530921087 /nfs/dbraw/zinc/92/10/87/530921087.db2.gz 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530986522 /nfs/dbraw/zinc/98/65/22/530986522.db2.gz GIYUGIKKIAADJN-UHFFFAOYSA-N 1 0 382.349 1.393 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000193449575 530986706 /nfs/dbraw/zinc/98/67/06/530986706.db2.gz YIPSWLAZNGWQNL-ONGXEEELSA-N 1 0 391.287 1.639 20 0 GDADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C2)N1 ZINC000193474002 530987168 /nfs/dbraw/zinc/98/71/68/530987168.db2.gz PEKRSTGKMXXMCQ-KRWDZBQOSA-N 1 0 392.253 1.899 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000124628393 530998406 /nfs/dbraw/zinc/99/84/06/530998406.db2.gz TTZVWMRSAOIBHI-UHFFFAOYSA-N 1 0 387.311 1.994 20 0 GDADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000193614868 530990264 /nfs/dbraw/zinc/99/02/64/530990264.db2.gz VONCITHKYZXDSP-TVQRCGJNSA-N 1 0 387.221 1.344 20 0 GDADRO Cc1cc(F)c(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1F ZINC000194766280 531009511 /nfs/dbraw/zinc/00/95/11/531009511.db2.gz LMQZIDSAVBFLDD-LBPRGKRZSA-N 1 0 375.441 1.281 20 0 GDADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000194790952 531009766 /nfs/dbraw/zinc/00/97/66/531009766.db2.gz PJRSHOFQHSFHOA-UHFFFAOYSA-N 1 0 384.527 1.859 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000194927046 531011908 /nfs/dbraw/zinc/01/19/08/531011908.db2.gz VZYKBFFHXUEDEF-PHIMTYICSA-N 1 0 382.258 1.416 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccccc2Br)cn1 ZINC000126281174 531017120 /nfs/dbraw/zinc/01/71/20/531017120.db2.gz GIONCCMRRLSDNG-UHFFFAOYSA-N 1 0 394.273 1.462 20 0 GDADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000127576989 531031902 /nfs/dbraw/zinc/03/19/02/531031902.db2.gz RKSIXGQJWSEMCF-MRXNPFEDSA-N 1 0 388.295 1.913 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000226712578 531032191 /nfs/dbraw/zinc/03/21/91/531032191.db2.gz BMFFCARVIILLNJ-SNVBAGLBSA-N 1 0 376.272 1.760 20 0 GDADRO Cc1ccc(Cl)c(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000127744289 531033143 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CC(=O)Nc1cc(F)c(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1Cl ZINC000528054857 531341173 /nfs/dbraw/zinc/34/11/73/531341173.db2.gz BIXLZPVZXQNWKD-UHFFFAOYSA-N 1 0 379.841 1.224 20 0 GDADRO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000440643247 531341730 /nfs/dbraw/zinc/34/17/30/531341730.db2.gz FZTZBSTXFQUUFR-APHBMKBZSA-N 1 0 376.906 1.531 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)C2)C1 ZINC000292220716 531343177 /nfs/dbraw/zinc/34/31/77/531343177.db2.gz AKWSQMLQAGOKLC-WMLDXEAASA-N 1 0 383.539 1.455 20 0 GDADRO CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292217850 531343576 /nfs/dbraw/zinc/34/35/76/531343576.db2.gz MVAMOMYGXHSBAP-GFCCVEGCSA-N 1 0 376.881 1.804 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1F ZINC000440810866 531345125 /nfs/dbraw/zinc/34/51/25/531345125.db2.gz QJLMPRMIBKOXFA-GFCCVEGCSA-N 1 0 393.506 1.396 20 0 GDADRO COC(=O)[C@H]1CN(C)CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000411899113 531345369 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CSC[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000292459016 531356375 /nfs/dbraw/zinc/35/63/75/531356375.db2.gz QFRJWVLVAFLIEO-HNNXBMFYSA-N 1 0 385.555 1.068 20 0 GDADRO CC[N@@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000528439464 531356819 /nfs/dbraw/zinc/35/68/19/531356819.db2.gz WEUKGPHIDAYFCT-LLVKDONJSA-N 1 0 377.869 1.358 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@@H](F)C2)cc[nH+]1 ZINC000349583119 531357606 /nfs/dbraw/zinc/35/76/06/531357606.db2.gz IZBNVQFLJTUGOJ-ZIAGYGMSSA-N 1 0 393.506 1.144 20 0 GDADRO NC(=O)c1csc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000441384856 531358937 /nfs/dbraw/zinc/35/89/37/531358937.db2.gz QZUOJPFZJLJBDU-UHFFFAOYSA-N 1 0 375.422 1.193 20 0 GDADRO O=C(Cn1cc(Br)cn1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266657440 531360094 /nfs/dbraw/zinc/36/00/94/531360094.db2.gz PQBWYXAIHACGTE-UHFFFAOYSA-N 1 0 385.306 1.749 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000292390653 531352360 /nfs/dbraw/zinc/35/23/60/531352360.db2.gz NPNMHNMEPPPWMM-GFCCVEGCSA-N 1 0 391.921 1.192 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000411978819 531353854 /nfs/dbraw/zinc/35/38/54/531353854.db2.gz DMNHPVSRLBTBMS-ZBFHGGJFSA-N 1 0 385.302 1.785 20 0 GDADRO O=C(c1ccc2ncc(I)n2c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000292432717 531354248 /nfs/dbraw/zinc/35/42/48/531354248.db2.gz IYVVJVLZZRIQCW-ZYHUDNBSSA-N 1 0 396.232 1.763 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000349586222 531360923 /nfs/dbraw/zinc/36/09/23/531360923.db2.gz MOCPPCZPIAYVLB-MUJYYYPQSA-N 1 0 387.527 1.052 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000441540037 531361483 /nfs/dbraw/zinc/36/14/83/531361483.db2.gz BDKKBVLZYPPDRS-ZDUSSCGKSA-N 1 0 392.905 1.762 20 0 GDADRO NC(=O)N1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000278466004 531362310 /nfs/dbraw/zinc/36/23/10/531362310.db2.gz NBUDPWOCQPLZSR-CQSZACIVSA-N 1 0 381.274 1.687 20 0 GDADRO C[C@@H](CNC(=O)CCN1C(=O)COc2cc(Br)ccc21)[NH+](C)C ZINC000412388905 531366563 /nfs/dbraw/zinc/36/65/63/531366563.db2.gz SWRJAXBZAJPMPM-NSHDSACASA-N 1 0 384.274 1.631 20 0 GDADRO Cn1ncc(C(=O)NCCC[NH+]2CCCCC2)c1I ZINC000292643659 531367861 /nfs/dbraw/zinc/36/78/61/531367861.db2.gz BUVQHTNEMHGXCX-UHFFFAOYSA-N 1 0 376.242 1.631 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000412412163 531368731 /nfs/dbraw/zinc/36/87/31/531368731.db2.gz RSGRGYWXSIAFHX-CQSZACIVSA-N 1 0 387.933 1.950 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000266827874 531371914 /nfs/dbraw/zinc/37/19/14/531371914.db2.gz LECMKAHJLHMZOG-AWEZNQCLSA-N 1 0 387.571 1.847 20 0 GDADRO CC(=O)NCC(=O)N1CCCN(Cc2cc(Br)ccc2F)CC1 ZINC000528729323 531372685 /nfs/dbraw/zinc/37/26/85/531372685.db2.gz LCCMNZXCXXMKEK-UHFFFAOYSA-N 1 0 386.265 1.759 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000267013717 531387582 /nfs/dbraw/zinc/38/75/82/531387582.db2.gz IQKYDJSUKUERHY-AWEZNQCLSA-N 1 0 389.543 1.042 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000293020006 531395293 /nfs/dbraw/zinc/39/52/93/531395293.db2.gz VHLXGBKDIIHVKB-WCQYABFASA-N 1 0 384.420 1.527 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Cl)cc(F)c2F)CCOCC1 ZINC000443282175 531390119 /nfs/dbraw/zinc/39/01/19/531390119.db2.gz IFIWDUIYGDLNOQ-UHFFFAOYSA-N 1 0 375.803 1.784 20 0 GDADRO Cc1c([C@@H](C)NC[C@@H]2COCC[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000530223765 531390615 /nfs/dbraw/zinc/39/06/15/531390615.db2.gz PSAPOZBXLOZSLP-BXUZGUMPSA-N 1 0 380.290 1.977 20 0 GDADRO COC(=O)Cc1cc(Br)ccc1S(=O)(=O)NCCC[NH+](C)C ZINC000292956535 531391314 /nfs/dbraw/zinc/39/13/14/531391314.db2.gz JZTMMGPCJNYMQB-UHFFFAOYSA-N 1 0 393.303 1.395 20 0 GDADRO O=C1C[C@]2(CC[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)CN1 ZINC000278841473 531394915 /nfs/dbraw/zinc/39/49/15/531394915.db2.gz JHHJWZJTSUAUJW-RHSMWYFYSA-N 1 0 378.270 1.766 20 0 GDADRO Cc1c(C(=O)NCC(C)(C)[NH+](C)C)cc(Br)cc1S(N)(=O)=O ZINC000266938323 531378507 /nfs/dbraw/zinc/37/85/07/531378507.db2.gz AXNORCPPFFOMIO-UHFFFAOYSA-N 1 0 392.319 1.475 20 0 GDADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000442900089 531379726 /nfs/dbraw/zinc/37/97/26/531379726.db2.gz HDCWUBLWKGERDU-SNVBAGLBSA-N 1 0 392.319 1.557 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000480905419 531381949 /nfs/dbraw/zinc/38/19/49/531381949.db2.gz XUVFMQQTTMBSID-XHDPSFHLSA-N 1 0 383.495 1.899 20 0 GDADRO CC(=O)Nc1ccccc1C[NH2+]CCNS(=O)(=O)c1sc(=O)[nH]c1C ZINC000482500280 531398631 /nfs/dbraw/zinc/39/86/31/531398631.db2.gz HTMPBWBYCMKFNR-UHFFFAOYSA-N 1 0 384.483 1.184 20 0 GDADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCSC1 ZINC000267157070 531404933 /nfs/dbraw/zinc/40/49/33/531404933.db2.gz PONGJDOKGIBRQP-QGZVFWFLSA-N 1 0 383.539 1.529 20 0 GDADRO Cn1ncc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1I ZINC000293153687 531405243 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C[C@@H]1OCC[C@H]1[N@H+](CCO)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000483264622 531409689 /nfs/dbraw/zinc/40/96/89/531409689.db2.gz WLYBCIPQFZDCCL-HZUKXOBISA-N 1 0 392.265 1.800 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000531366786 531409956 /nfs/dbraw/zinc/40/99/56/531409956.db2.gz GHAQSUWUYXHNLI-YOEHRIQHSA-N 1 0 385.555 1.215 20 0 GDADRO Cn1cc(Br)c(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)n1 ZINC000293255965 531411664 /nfs/dbraw/zinc/41/16/64/531411664.db2.gz DTUUQAVYCADREV-GFCCVEGCSA-N 1 0 393.289 1.970 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000531578340 531412368 /nfs/dbraw/zinc/41/23/68/531412368.db2.gz VCWOACJSWZJIDH-CQSZACIVSA-N 1 0 394.317 1.912 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Cc2cc(F)ccc2Br)CC[N@H+](C)C1 ZINC000413893594 531419893 /nfs/dbraw/zinc/41/98/93/531419893.db2.gz BGLNOKZWTQPGAU-LBPRGKRZSA-N 1 0 387.249 1.694 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000447243469 531421632 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531431038 /nfs/dbraw/zinc/43/10/38/531431038.db2.gz KEJQRDKCYAIJFE-UWVGGRQHSA-N 1 0 379.935 1.960 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000533057104 531428165 /nfs/dbraw/zinc/42/81/65/531428165.db2.gz FCEWVJCYSFWBTJ-CYBMUJFWSA-N 1 0 389.905 1.691 20 0 GDADRO Cc1c(Cl)c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)sc1S(N)(=O)=O ZINC000279468741 531435341 /nfs/dbraw/zinc/43/53/41/531435341.db2.gz PPVWQAOWMZRDEX-APPZFPTMSA-N 1 0 377.919 1.712 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447823676 531436891 /nfs/dbraw/zinc/43/68/91/531436891.db2.gz XJTKVHLAMRCEFY-LLVKDONJSA-N 1 0 383.411 1.759 20 0 GDADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414251096 531437176 /nfs/dbraw/zinc/43/71/76/531437176.db2.gz GVFNALZZXZVIAE-ZDUSSCGKSA-N 1 0 376.544 1.815 20 0 GDADRO CS[C@@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C[C@@H]1[NH+](C)C ZINC000534092015 531434073 /nfs/dbraw/zinc/43/40/73/531434073.db2.gz 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O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279783720 531453562 /nfs/dbraw/zinc/45/35/62/531453562.db2.gz GZMXRDBHYPWEDU-LLVKDONJSA-N 1 0 377.919 1.423 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000537013167 531454395 /nfs/dbraw/zinc/45/43/95/531454395.db2.gz SOAPSEGHNANAMQ-GFCCVEGCSA-N 1 0 380.491 1.515 20 0 GDADRO Cc1c(F)cccc1S(=O)(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000414462318 531455179 /nfs/dbraw/zinc/45/51/79/531455179.db2.gz UGJRUKBJKRZVBA-AWEZNQCLSA-N 1 0 392.518 1.264 20 0 GDADRO Cc1cc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1C[NH+](C)C ZINC000414461910 531455822 /nfs/dbraw/zinc/45/58/22/531455822.db2.gz GNUYJIBYFOJYLA-UHFFFAOYSA-N 1 0 383.495 1.505 20 0 GDADRO COC(=O)C1CCN(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000448165873 531448671 /nfs/dbraw/zinc/44/86/71/531448671.db2.gz SVOZLQAJKPSZAR-HNNXBMFYSA-N 1 0 375.535 1.074 20 0 GDADRO C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000536072108 531448675 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CC[C@H]([NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)C(=O)NC ZINC000449767223 531475951 /nfs/dbraw/zinc/47/59/51/531475951.db2.gz AKDQUCXSCSIEPQ-GWCFXTLKSA-N 1 0 386.290 1.577 20 0 GDADRO CC[C@@H]([NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)C(=O)NC ZINC000449767226 531476158 /nfs/dbraw/zinc/47/61/58/531476158.db2.gz AKDQUCXSCSIEPQ-ZWNOBZJWSA-N 1 0 386.290 1.577 20 0 GDADRO CN(C(=O)C(=O)Nc1cccc(I)c1)C1CC[NH2+]CC1 ZINC000415332387 531476262 /nfs/dbraw/zinc/47/62/62/531476262.db2.gz UQOZEBNVBUJGNN-UHFFFAOYSA-N 1 0 387.221 1.440 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cccc(Cl)c1Br ZINC000415333744 531476890 /nfs/dbraw/zinc/47/68/90/531476890.db2.gz RFDXILJXFSAYFJ-UHFFFAOYSA-N 1 0 389.681 1.062 20 0 GDADRO Cc1noc(Cl)c1CCC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000268123518 531477296 /nfs/dbraw/zinc/47/72/96/531477296.db2.gz AHCPRQUJGXLRLY-ZDUSSCGKSA-N 1 0 391.921 1.536 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000267876975 531458578 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ZINC000449083138 531465632 /nfs/dbraw/zinc/46/56/32/531465632.db2.gz SCHHCOFWBRZSJL-UHFFFAOYSA-N 1 0 380.539 1.693 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000538206868 531466171 /nfs/dbraw/zinc/46/61/71/531466171.db2.gz VVJUKYUBWBNPMD-HUUCEWRRSA-N 1 0 388.555 1.630 20 0 GDADRO COCCOCCS(=O)(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000294199663 531466694 /nfs/dbraw/zinc/46/66/94/531466694.db2.gz RKLCDJLCIGHRLH-MRXNPFEDSA-N 1 0 376.544 1.594 20 0 GDADRO C[NH+]1CCC(C(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CC1 ZINC000280017855 531466818 /nfs/dbraw/zinc/46/68/18/531466818.db2.gz LOXIYQUFFYNZKR-HNNXBMFYSA-N 1 0 380.286 1.790 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000415269829 531470576 /nfs/dbraw/zinc/47/05/76/531470576.db2.gz MVAYYDRBBMFPMP-UHFFFAOYSA-N 1 0 377.247 1.483 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C1 ZINC000415269025 531470717 /nfs/dbraw/zinc/47/07/17/531470717.db2.gz KSCZPBOAUTVZEK-JTQLQIEISA-N 1 0 383.239 1.462 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)C1 ZINC000415292244 531471180 /nfs/dbraw/zinc/47/11/80/531471180.db2.gz ITDQOTCUMCQEQN-LLVKDONJSA-N 1 0 382.251 1.736 20 0 GDADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)NCCC[NH3+] ZINC000415291625 531471197 /nfs/dbraw/zinc/47/11/97/531471197.db2.gz KAKHMMPBMSGPHW-UHFFFAOYSA-N 1 0 378.654 1.905 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(CCNS(C)(=O)=O)s3)C2)C1 ZINC000294286731 531471371 /nfs/dbraw/zinc/47/13/71/531471371.db2.gz VDOHYZBQEMXWQL-KRWDZBQOSA-N 1 0 385.555 1.398 20 0 GDADRO Cn1cc(C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)c(=O)n(C)c1=O ZINC000449504283 531471428 /nfs/dbraw/zinc/47/14/28/531471428.db2.gz VOJJOIMLQRNIDG-ZDUSSCGKSA-N 1 0 378.270 1.836 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000415291823 531471915 /nfs/dbraw/zinc/47/19/15/531471915.db2.gz HWAGZKLXDXHAGU-SNVBAGLBSA-N 1 0 384.230 1.124 20 0 GDADRO COc1cc(I)ccc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415366119 531479852 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ZINC000542910676 531478067 /nfs/dbraw/zinc/47/80/67/531478067.db2.gz XURXUQRAIALMAP-CZUORRHYSA-N 1 0 385.302 1.957 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000415358961 531478268 /nfs/dbraw/zinc/47/82/68/531478268.db2.gz VGHDDMFCWDSLFJ-SNVBAGLBSA-N 1 0 387.221 1.345 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)CS(=O)(=O)N(C)C)c1ccccc1Cl ZINC000543264711 531478332 /nfs/dbraw/zinc/47/83/32/531478332.db2.gz DPKMDGSEGGJTQL-HNNXBMFYSA-N 1 0 375.922 1.731 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1Br ZINC000415352094 531478400 /nfs/dbraw/zinc/47/84/00/531478400.db2.gz OYIJCVRXOPCWOR-MNOVXSKESA-N 1 0 384.274 1.901 20 0 GDADRO C[C@](C[NH3+])(NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1)C1CC1 ZINC000415664338 531510705 /nfs/dbraw/zinc/51/07/05/531510705.db2.gz CTFKNIGKMANJPR-MRXNPFEDSA-N 1 0 398.305 1.930 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(I)c2)CC[NH2+]1 ZINC000415660822 531510783 /nfs/dbraw/zinc/51/07/83/531510783.db2.gz OCZODVCUHXXJFH-JOYOIKCWSA-N 1 0 387.221 1.486 20 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CCOc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1Br ZINC000415545832 531493677 /nfs/dbraw/zinc/49/36/77/531493677.db2.gz WSNJZCQKRVRGIP-GHMZBOCLSA-N 1 0 384.274 1.982 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1c(C)cc(Br)cc1Cl ZINC000415546029 531493803 /nfs/dbraw/zinc/49/38/03/531493803.db2.gz MHPHVOBBXNKSIS-UHFFFAOYSA-N 1 0 392.681 1.702 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])cc1I ZINC000415554081 531494408 /nfs/dbraw/zinc/49/44/08/531494408.db2.gz AYKXVLKJIUMWSA-VIFPVBQESA-N 1 0 375.210 1.392 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415560907 531495306 /nfs/dbraw/zinc/49/53/06/531495306.db2.gz HJEKVNNOGNINCP-UHFFFAOYSA-N 1 0 380.246 1.428 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000415562357 531495324 /nfs/dbraw/zinc/49/53/24/531495324.db2.gz GTLYDRAEBUUWKB-LLVKDONJSA-N 1 0 399.289 1.078 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415566638 531495749 /nfs/dbraw/zinc/49/57/49/531495749.db2.gz 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375.512 1.413 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415646254 531507075 /nfs/dbraw/zinc/50/70/75/531507075.db2.gz ZFPDCHNFRFQNPH-NSHDSACASA-N 1 0 394.273 1.290 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2sccc2OC)CC1 ZINC000268408385 531507169 /nfs/dbraw/zinc/50/71/69/531507169.db2.gz SEEUPZMQWNDSRD-UHFFFAOYSA-N 1 0 376.500 1.310 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415628306 531507266 /nfs/dbraw/zinc/50/72/66/531507266.db2.gz UJTCKHWLWIWWRM-OQPBUACISA-N 1 0 388.251 1.833 20 0 GDADRO [NH3+]CCN(CCO)C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415634937 531507300 /nfs/dbraw/zinc/50/73/00/531507300.db2.gz AIZXIDTZQFFMQZ-UHFFFAOYSA-N 1 0 386.275 1.753 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Br ZINC000363774129 531508336 /nfs/dbraw/zinc/50/83/36/531508336.db2.gz AMNPMNUMDGJRMN-ZIAGYGMSSA-N 1 0 384.274 1.529 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(I)cc2)CC[NH2+]1 ZINC000415653618 531508705 /nfs/dbraw/zinc/50/87/05/531508705.db2.gz FYIYXLKXCSVBMV-BXKDBHETSA-N 1 0 387.221 1.486 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000415650128 531508782 /nfs/dbraw/zinc/50/87/82/531508782.db2.gz FFWIXPGOUBNRCX-GXFFZTMASA-N 1 0 384.274 1.901 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(I)cc1C ZINC000415651066 531508987 /nfs/dbraw/zinc/50/89/87/531508987.db2.gz AKWUXXDURKJKFV-SNVBAGLBSA-N 1 0 389.237 1.652 20 0 GDADRO CCS(=O)(=O)N1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)[C@H](C)C1 ZINC000581683807 531509867 /nfs/dbraw/zinc/50/98/67/531509867.db2.gz IDGFJBJHGXHGKD-ZIAGYGMSSA-N 1 0 388.559 1.416 20 0 GDADRO C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)[C@H](c1ccccc1)[NH+](C)C ZINC000548432897 531510364 /nfs/dbraw/zinc/51/03/64/531510364.db2.gz DCJBYAYRDQTBKE-SJKOYZFVSA-N 1 0 381.523 1.746 20 0 GDADRO Cc1cc(I)cc(NC(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000415718002 531520659 /nfs/dbraw/zinc/52/06/59/531520659.db2.gz ZLBIHQAXXVGKBX-CYBMUJFWSA-N 1 0 388.253 1.625 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415741364 531522165 /nfs/dbraw/zinc/52/21/65/531522165.db2.gz IJCSRHORLWNRIJ-RYUDHWBXSA-N 1 0 396.285 1.854 20 0 GDADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415734363 531522689 /nfs/dbraw/zinc/52/26/89/531522689.db2.gz KEQKVDBHOQHCGX-JTQLQIEISA-N 1 0 376.404 1.949 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415749902 531523106 /nfs/dbraw/zinc/52/31/06/531523106.db2.gz SNJIZVRRXRRJMN-ONGXEEELSA-N 1 0 387.221 1.486 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000295107161 531523268 /nfs/dbraw/zinc/52/32/68/531523268.db2.gz UMVWKALNJJNLDE-HIFRSBDPSA-N 1 0 389.949 1.994 20 0 GDADRO CN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br)C1C[NH2+]C1 ZINC000415744800 531523779 /nfs/dbraw/zinc/52/37/79/531523779.db2.gz PLCZFPIJPANMPB-UHFFFAOYSA-N 1 0 380.164 1.837 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415746851 531523981 /nfs/dbraw/zinc/52/39/81/531523981.db2.gz PDGDEGLNZGCSMY-CABZTGNLSA-N 1 0 377.242 1.884 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1Br ZINC000415745074 531524288 /nfs/dbraw/zinc/52/42/88/531524288.db2.gz NJHJXLQYLNMXMJ-WPRPVWTQSA-N 1 0 386.246 1.353 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCCO1 ZINC000415752960 531525674 /nfs/dbraw/zinc/52/56/74/531525674.db2.gz FIEYIKUUACRDFF-AWEZNQCLSA-N 1 0 394.273 2.216 20 0 GDADRO O=S(=O)(Cc1ccccc1Br)NCCC[NH+]1CCC(O)CC1 ZINC000557824204 531525816 /nfs/dbraw/zinc/52/58/16/531525816.db2.gz VARNACQCNVCELR-UHFFFAOYSA-N 1 0 391.331 1.715 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000415769910 531526683 /nfs/dbraw/zinc/52/66/83/531526683.db2.gz PXXGVKSVUFRFAB-UHFFFAOYSA-N 1 0 396.285 1.998 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415772968 531527044 /nfs/dbraw/zinc/52/70/44/531527044.db2.gz UTDBELGOZTYLEA-AAEUAGOBSA-N 1 0 396.285 1.997 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ncsc2Br)CC1 ZINC000582022423 531529157 /nfs/dbraw/zinc/52/91/57/531529157.db2.gz OJTDEBBWURZZPK-UHFFFAOYSA-N 1 0 389.319 1.532 20 0 GDADRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280725110 531530240 /nfs/dbraw/zinc/53/02/40/531530240.db2.gz NMZPNOVBAPKGMA-RNCFNFMXSA-N 1 0 395.344 1.615 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)NCC(C)(C)[NH3+])CC1 ZINC000415782346 531530324 /nfs/dbraw/zinc/53/03/24/531530324.db2.gz DWKWNKPGMLHLSQ-UHFFFAOYSA-N 1 0 385.310 1.455 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000415726659 531520366 /nfs/dbraw/zinc/52/03/66/531520366.db2.gz PRADGDMNMLNYRI-QGZVFWFLSA-N 1 0 396.285 1.998 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CCO1 ZINC000658997001 531536825 /nfs/dbraw/zinc/53/68/25/531536825.db2.gz CVIQFKDVPZTOBN-OAHLLOKOSA-N 1 0 398.301 1.957 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636091675 531537029 /nfs/dbraw/zinc/53/70/29/531537029.db2.gz KDWBDFQBOJGXNJ-GASCZTMLSA-N 1 0 385.917 1.751 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415820788 531537292 /nfs/dbraw/zinc/53/72/92/531537292.db2.gz CPBLIHMLXGLJSF-UHFFFAOYSA-N 1 0 387.889 1.283 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c1Br ZINC000415820993 531537608 /nfs/dbraw/zinc/53/76/08/531537608.db2.gz DQAVHUBJYDDFSC-UHFFFAOYSA-N 1 0 398.257 1.385 20 0 GDADRO COc1cc(NC(=O)C(=O)NCC(C)(C)[NH3+])c(Cl)cc1Br ZINC000659076953 531537709 /nfs/dbraw/zinc/53/77/09/531537709.db2.gz ILDWYYNLFJFSGS-UHFFFAOYSA-N 1 0 378.654 1.903 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000582715959 531553279 /nfs/dbraw/zinc/55/32/79/531553279.db2.gz JPDJDNACCXTERO-JSGCOSHPSA-N 1 0 382.302 1.694 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)s1 ZINC000611731813 531538620 /nfs/dbraw/zinc/53/86/20/531538620.db2.gz JPCNKYBVALLZID-NSHDSACASA-N 1 0 383.543 1.399 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC[C@H]1[NH3+] ZINC000659076968 531538777 /nfs/dbraw/zinc/53/87/77/531538777.db2.gz IPSCVURXSDRXHI-VXNVDRBHSA-N 1 0 376.201 1.862 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2I)C1 ZINC000415831237 531539088 /nfs/dbraw/zinc/53/90/88/531539088.db2.gz HMDWQELWNZFVFY-VHSXEESVSA-N 1 0 387.221 1.473 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415832178 531539418 /nfs/dbraw/zinc/53/94/18/531539418.db2.gz KYHHIXXWGJEPGB-JTQLQIEISA-N 1 0 390.665 1.536 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000451059935 531540045 /nfs/dbraw/zinc/54/00/45/531540045.db2.gz VKGNWCQOIWSVFK-CQSZACIVSA-N 1 0 382.473 1.616 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)cc(C)c1Br ZINC000415834191 531540813 /nfs/dbraw/zinc/54/08/13/531540813.db2.gz NOTHVOSJCILZMT-CYBMUJFWSA-N 1 0 384.274 1.499 20 0 GDADRO O=C(CN1CCCS1(=O)=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000611772395 531541159 /nfs/dbraw/zinc/54/11/59/531541159.db2.gz YOPAEQJUFWHMJS-INIZCTEOSA-N 1 0 385.917 1.629 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC[C@H]1F ZINC000659108062 531541265 /nfs/dbraw/zinc/54/12/65/531541265.db2.gz HKWPUIBNLURHHB-NXEZZACHSA-N 1 0 378.629 1.939 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000558032731 531542271 /nfs/dbraw/zinc/54/22/71/531542271.db2.gz XADZIWPJCIDSTR-NSHDSACASA-N 1 0 387.552 1.968 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 ZINC000659112487 531542556 /nfs/dbraw/zinc/54/25/56/531542556.db2.gz JJYPUAQJRFIGGN-NSHDSACASA-N 1 0 394.273 1.606 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000415854250 531543438 /nfs/dbraw/zinc/54/34/38/531543438.db2.gz VVGPBHYRHQZVEU-MNOVXSKESA-N 1 0 387.889 1.125 20 0 GDADRO O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415863474 531544462 /nfs/dbraw/zinc/54/44/62/531544462.db2.gz XNGFPHGAVGCCOV-NWDGAFQWSA-N 1 0 381.274 1.631 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NCCC[NH2+]C2CC2)ccc1Br ZINC000415861557 531544782 /nfs/dbraw/zinc/54/47/82/531544782.db2.gz QJYCOCMMDQTKTI-UHFFFAOYSA-N 1 0 398.257 1.433 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415859447 531545247 /nfs/dbraw/zinc/54/52/47/531545247.db2.gz GOANINBANILHTR-SECBINFHSA-N 1 0 376.638 1.146 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1Cl ZINC000415863625 531546497 /nfs/dbraw/zinc/54/64/97/531546497.db2.gz LQZLVXFRMKAFMQ-JTQLQIEISA-N 1 0 376.240 1.435 20 0 GDADRO [NH3+]CC(=O)NCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000364237791 531547055 /nfs/dbraw/zinc/54/70/55/531547055.db2.gz ACQRUFNLCKZURO-CYBMUJFWSA-N 1 0 387.267 1.388 20 0 GDADRO [NH3+]CC(=O)NCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000364237792 531547077 /nfs/dbraw/zinc/54/70/77/531547077.db2.gz ACQRUFNLCKZURO-ZDUSSCGKSA-N 1 0 387.267 1.388 20 0 GDADRO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000491081869 531547154 /nfs/dbraw/zinc/54/71/54/531547154.db2.gz YUWWGPVCCOMVAQ-OAHLLOKOSA-N 1 0 376.567 1.418 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415873019 531547769 /nfs/dbraw/zinc/54/77/69/531547769.db2.gz UEWJDKYQSXWASW-SECBINFHSA-N 1 0 376.201 1.924 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N(C)CC(C)(C)[NH3+])s1 ZINC000659451315 531548143 /nfs/dbraw/zinc/54/81/43/531548143.db2.gz PBJRGGBYPRZJTF-UHFFFAOYSA-N 1 0 390.575 1.700 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2ccc(F)c(I)c2)CC1 ZINC000268639655 531549372 /nfs/dbraw/zinc/54/93/72/531549372.db2.gz GUVJRKQLADTGHV-UHFFFAOYSA-N 1 0 392.212 1.617 20 0 GDADRO O=C(Nc1ccc(Cl)cc1OC(F)F)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415899936 531550574 /nfs/dbraw/zinc/55/05/74/531550574.db2.gz VMWZUPXUZCATRJ-UHFFFAOYSA-N 1 0 375.759 1.081 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000659679946 531550635 /nfs/dbraw/zinc/55/06/35/531550635.db2.gz IECWTIJKCUFVJN-LBPRGKRZSA-N 1 0 382.302 1.711 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000280879621 531552154 /nfs/dbraw/zinc/55/21/54/531552154.db2.gz NCMPYDWDUURTNZ-RIEGTJTDSA-N 1 0 395.301 1.900 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000280886215 531552527 /nfs/dbraw/zinc/55/25/27/531552527.db2.gz FAOZJRRFASUBEK-OWCLPIDISA-N 1 0 381.318 1.850 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000552190959 531552593 /nfs/dbraw/zinc/55/25/93/531552593.db2.gz NEIBJNOEIPDSKF-LBPRGKRZSA-N 1 0 382.302 1.790 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659684500 531552812 /nfs/dbraw/zinc/55/28/12/531552812.db2.gz IKCXAEMRZBVRGV-UHFFFAOYSA-N 1 0 392.297 1.465 20 0 GDADRO CN(C(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1)C1CC([NH3+])C1 ZINC000415805833 531533986 /nfs/dbraw/zinc/53/39/86/531533986.db2.gz JMPBCZXUQHYPOD-UHFFFAOYSA-N 1 0 392.257 1.521 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415801525 531534135 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382.360 1.306 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000281503423 531626160 /nfs/dbraw/zinc/62/61/60/531626160.db2.gz ICEVLGOBHNQAJG-UHFFFAOYSA-N 1 0 385.873 1.784 20 0 GDADRO COc1ncc(Br)cc1CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000660750491 531630859 /nfs/dbraw/zinc/63/08/59/531630859.db2.gz CNKURCORDIUDRT-HNNXBMFYSA-N 1 0 397.317 1.639 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)C1 ZINC000660840932 531633193 /nfs/dbraw/zinc/63/31/93/531633193.db2.gz NGEKRNFLJFZVPJ-GFCCVEGCSA-N 1 0 386.543 1.195 20 0 GDADRO Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)C(C)(C)CO ZINC000295871865 531633203 /nfs/dbraw/zinc/63/32/03/531633203.db2.gz YXCTXVIEJHVDGP-CYBMUJFWSA-N 1 0 377.388 1.876 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[C@@H]1[NH3+] ZINC000269283261 531634894 /nfs/dbraw/zinc/63/48/94/531634894.db2.gz REYNOAWMNCGXEX-XUJVJEKNSA-N 1 0 380.286 1.998 20 0 GDADRO C[C@]1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C[NH2+]CCO1 ZINC000638131265 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CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000269682069 531712352 /nfs/dbraw/zinc/71/23/52/531712352.db2.gz GLKLMNQPHUISIQ-ZDUSSCGKSA-N 1 0 389.905 1.424 20 0 GDADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000663486914 531713795 /nfs/dbraw/zinc/71/37/95/531713795.db2.gz WALPFYDORNZCJA-UHFFFAOYSA-N 1 0 377.242 1.449 20 0 GDADRO O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000663487082 531714505 /nfs/dbraw/zinc/71/45/05/531714505.db2.gz XQEGNSZMKLGUSD-LBPRGKRZSA-N 1 0 394.269 1.003 20 0 GDADRO CC[C@H]1CN(C)CCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000561614169 531715477 /nfs/dbraw/zinc/71/54/77/531715477.db2.gz FNUNSOCHUZGXPN-JTQLQIEISA-N 1 0 382.258 1.946 20 0 GDADRO O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)[C@@H]1CCn2cncc2C1 ZINC000561626152 531715763 /nfs/dbraw/zinc/71/57/63/531715763.db2.gz HPMCBKHRXHHKOD-ABAIWWIYSA-N 1 0 389.253 1.740 20 0 GDADRO C[C@]1(NC(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)CC[NH2+]C1 ZINC000663610123 531716094 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NS(=O)(=O)c1ccc(CNC(=O)N(CC[NH3+])CCc2ccccc2)s1 ZINC000416878577 531744108 /nfs/dbraw/zinc/74/41/08/531744108.db2.gz XVDJNJFKXVNYRY-UHFFFAOYSA-N 1 0 382.511 1.109 20 0 GDADRO COc1cc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(Br)cn1 ZINC000621299916 531744339 /nfs/dbraw/zinc/74/43/39/531744339.db2.gz VBZARQJTKZBKAH-AWEZNQCLSA-N 1 0 397.317 1.639 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000366416770 531744656 /nfs/dbraw/zinc/74/46/56/531744656.db2.gz ZHWZTTQCELCOAC-KWCYVHTRSA-N 1 0 384.274 1.873 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)Nc3nn(C)cc3Br)CC2)c1 ZINC000640328524 531744874 /nfs/dbraw/zinc/74/48/74/531744874.db2.gz ZHZYVUVFIBPLQM-UHFFFAOYSA-N 1 0 395.261 1.940 20 0 GDADRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000416943300 531747651 /nfs/dbraw/zinc/74/76/51/531747651.db2.gz FHYQUODVSVXTHD-JSGCOSHPSA-N 1 0 388.921 1.435 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NCCC1=CC[NH2+]CC1 ZINC000416942549 531747824 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/nfs/dbraw/zinc/76/32/70/531763270.db2.gz GLRRGKFBGZYGGY-UHFFFAOYSA-N 1 0 383.283 1.971 20 0 GDADRO CC[NH+](CC)CCOCCNC(=O)Nc1cn(C)cc(Br)c1=O ZINC000666694699 531763429 /nfs/dbraw/zinc/76/34/29/531763429.db2.gz DQABSNCGOSPJAJ-UHFFFAOYSA-N 1 0 389.294 1.628 20 0 GDADRO COCC[NH2+]CCNC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417294121 531765237 /nfs/dbraw/zinc/76/52/37/531765237.db2.gz BHVIFNLIDSKADR-UHFFFAOYSA-N 1 0 388.262 1.256 20 0 GDADRO COc1cc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)cc(Br)c1OC ZINC000417381612 531765881 /nfs/dbraw/zinc/76/58/81/531765881.db2.gz WQPSXCZXNUPDNF-NSHDSACASA-N 1 0 388.262 1.335 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000297029949 531751245 /nfs/dbraw/zinc/75/12/45/531751245.db2.gz XJWIUCPTOGYQRT-GTNSWQLSSA-N 1 0 398.301 1.660 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000297029931 531751327 /nfs/dbraw/zinc/75/13/27/531751327.db2.gz XJWIUCPTOGYQRT-APPDUMDISA-N 1 0 398.301 1.660 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CCO1 ZINC000667399676 531780271 /nfs/dbraw/zinc/78/02/71/531780271.db2.gz KLVOEWNYCODFRZ-WRWORJQWSA-N 1 0 392.200 1.240 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CCO1 ZINC000667399669 531780354 /nfs/dbraw/zinc/78/03/54/531780354.db2.gz KFIQQPKVROAPJE-QPUJVOFHSA-N 1 0 379.766 1.872 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CCO1 ZINC000667399671 531780864 /nfs/dbraw/zinc/78/08/64/531780864.db2.gz KLVOEWNYCODFRZ-CPCISQLKSA-N 1 0 392.200 1.240 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417575563 531781519 /nfs/dbraw/zinc/78/15/19/531781519.db2.gz GEIWBOKGWKDKNN-CQSZACIVSA-N 1 0 397.317 1.754 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000417590253 531783355 /nfs/dbraw/zinc/78/33/55/531783355.db2.gz WFJFZPOTSRNHPS-ZDUSSCGKSA-N 1 0 385.306 1.834 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000269846490 531782194 /nfs/dbraw/zinc/78/21/94/531782194.db2.gz ZDDBCJHRXKIHIK-LBPRGKRZSA-N 1 0 376.500 1.050 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2c(cc1Br)OCO2 ZINC000622075359 531768377 /nfs/dbraw/zinc/76/83/77/531768377.db2.gz ZKFKIERAADBRPU-LLVKDONJSA-N 1 0 385.258 1.754 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417418135 531768628 /nfs/dbraw/zinc/76/86/28/531768628.db2.gz DIJHXIBCYHUVGQ-GXTWGEPZSA-N 1 0 397.317 1.948 20 0 GDADRO [NH3+][C@@H](CNC(=O)NCCCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000417435561 531770701 /nfs/dbraw/zinc/77/07/01/531770701.db2.gz NJMOLNKUMYYLJZ-AWEZNQCLSA-N 1 0 383.290 1.606 20 0 GDADRO CCCN(C(=O)NCCNC(=O)c1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000417439274 531771078 /nfs/dbraw/zinc/77/10/78/531771078.db2.gz RYWUMOYLPROTMO-OAHLLOKOSA-N 1 0 397.317 1.962 20 0 GDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCc2c(F)ccc(Br)c2C1 ZINC000452188212 531771174 /nfs/dbraw/zinc/77/11/74/531771174.db2.gz BXJVWUYDMACKSU-INIZCTEOSA-N 1 0 382.277 1.863 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000562669786 531771170 /nfs/dbraw/zinc/77/11/70/531771170.db2.gz OSKOOHMQFGLGBD-CQSZACIVSA-N 1 0 397.317 1.738 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000562669785 531771377 /nfs/dbraw/zinc/77/13/77/531771377.db2.gz OSKOOHMQFGLGBD-AWEZNQCLSA-N 1 0 397.317 1.738 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(Br)c1)n1cc(CN2CC[NH2+]CC2)nn1 ZINC000640882272 531771575 /nfs/dbraw/zinc/77/15/75/531771575.db2.gz VYPWAHDNZBZDTM-LBPRGKRZSA-N 1 0 393.289 1.646 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2cccc(Br)c2)nn1 ZINC000640880372 531771992 /nfs/dbraw/zinc/77/19/92/531771992.db2.gz JLUAOGRXPAYOEV-PWSUYJOCSA-N 1 0 382.262 1.757 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667266042 531773176 /nfs/dbraw/zinc/77/31/76/531773176.db2.gz KOCXCGHZYCDKJH-GFCCVEGCSA-N 1 0 387.889 1.330 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000667265918 531773588 /nfs/dbraw/zinc/77/35/88/531773588.db2.gz GOOZLEHJFHCZBP-NSHDSACASA-N 1 0 381.274 1.918 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cnn2cc(Br)cnc12 ZINC000452375991 531775029 /nfs/dbraw/zinc/77/50/29/531775029.db2.gz BPSXJMGRBVUZNG-LBPRGKRZSA-N 1 0 382.262 1.068 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000667295495 531775484 /nfs/dbraw/zinc/77/54/84/531775484.db2.gz MQVZVQRSVRMTON-UHFFFAOYSA-N 1 0 377.242 1.804 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000667278487 531775968 /nfs/dbraw/zinc/77/59/68/531775968.db2.gz YOKCRPNENYUVOL-QMMMGPOBSA-N 1 0 390.665 1.857 20 0 GDADRO C[C@H]1CN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000417487361 531776108 /nfs/dbraw/zinc/77/61/08/531776108.db2.gz NODLHJJVBVFXSF-SWLSCSKDSA-N 1 0 397.317 1.948 20 0 GDADRO COc1ccc(Br)c(Cn2cc(CN3CC[NH+](C)CC3)nn2)c1 ZINC000641057445 531776316 /nfs/dbraw/zinc/77/63/16/531776316.db2.gz BOCRFVFPWRXFHZ-UHFFFAOYSA-N 1 0 380.290 1.845 20 0 GDADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000562757941 531777550 /nfs/dbraw/zinc/77/75/50/531777550.db2.gz VJLFVXGKNLLSNF-QMMMGPOBSA-N 1 0 376.201 1.863 20 0 GDADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ncc(Br)cc3F)nn2)n1 ZINC000641103648 531777704 /nfs/dbraw/zinc/77/77/04/531777704.db2.gz NFJCVKYQICXEQC-UHFFFAOYSA-N 1 0 394.252 1.977 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000282626007 531777854 /nfs/dbraw/zinc/77/78/54/531777854.db2.gz BMLTYBHHCYZKKG-ZDUSSCGKSA-N 1 0 390.253 1.635 20 0 GDADRO O=C(NCc1cn(Cc2ncc(Br)cc2F)nn1)C1CC[NH2+]CC1 ZINC000641104550 531777946 /nfs/dbraw/zinc/77/79/46/531777946.db2.gz VDWZXLLSADYFDH-UHFFFAOYSA-N 1 0 397.252 1.239 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000452541167 531783246 /nfs/dbraw/zinc/78/32/46/531783246.db2.gz KLOPRKUEWPWKLE-INIZCTEOSA-N 1 0 385.555 1.293 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2CC[C@H](C[NH3+])C2)s1 ZINC000417517452 531778658 /nfs/dbraw/zinc/77/86/58/531778658.db2.gz QGQUBHZBMFUTDZ-CYBMUJFWSA-N 1 0 388.559 1.311 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1Br ZINC000366793067 531779407 /nfs/dbraw/zinc/77/94/07/531779407.db2.gz CZDAHMXYNJFHDA-INIZCTEOSA-N 1 0 396.329 1.894 20 0 GDADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000512831277 531800705 /nfs/dbraw/zinc/80/07/05/531800705.db2.gz BSTVZVFSGFORNB-NSHDSACASA-N 1 0 377.413 1.224 20 0 GDADRO C[C@@H]1CN(C(=O)NCCC(=O)N(C)Cc2ccccc2Br)CC[NH2+]1 ZINC000417585336 531783834 /nfs/dbraw/zinc/78/38/34/531783834.db2.gz ORUBVWFEXFAQLL-CYBMUJFWSA-N 1 0 397.317 1.801 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(I)cc1 ZINC000592387721 531784657 /nfs/dbraw/zinc/78/46/57/531784657.db2.gz JBHXOEUHBFXOIX-ONGXEEELSA-N 1 0 398.241 1.612 20 0 GDADRO O[C@H](COc1ccc(Br)cc1)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641195132 531785259 /nfs/dbraw/zinc/78/52/59/531785259.db2.gz SUHSKTGGWFMEPY-OCCSQVGLSA-N 1 0 381.274 1.948 20 0 GDADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(Br)cc2-n2cnnn2)CC[N@@H+]1C ZINC000622811805 531785432 /nfs/dbraw/zinc/78/54/32/531785432.db2.gz GOBSPNRCRPOWIF-WCQYABFASA-N 1 0 393.289 1.980 20 0 GDADRO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000510320555 531785735 /nfs/dbraw/zinc/78/57/35/531785735.db2.gz FNEOKNDPGJIOAR-LSDHHAIUSA-N 1 0 391.603 1.428 20 0 GDADRO COCCOC[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641220426 531786587 /nfs/dbraw/zinc/78/65/87/531786587.db2.gz ALBIOECDPGWEOP-UKRRQHHQSA-N 1 0 385.262 1.113 20 0 GDADRO C[NH+](C)CCn1nccc1NC(=O)NCc1cc(Br)cnc1N ZINC000297370089 531786938 /nfs/dbraw/zinc/78/69/38/531786938.db2.gz LFXLSUIEGRUBDI-UHFFFAOYSA-N 1 0 382.266 1.506 20 0 GDADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)C1 ZINC000562903920 531787004 /nfs/dbraw/zinc/78/70/04/531787004.db2.gz HAPSIFRRKNFAHZ-GXTWGEPZSA-N 1 0 375.487 1.061 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000417909498 531788467 /nfs/dbraw/zinc/78/84/67/531788467.db2.gz IEDUXMSQVRDBKO-MELADBBJSA-N 1 0 386.543 1.022 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000417898019 531789422 /nfs/dbraw/zinc/78/94/22/531789422.db2.gz JDWVJONULUWJIF-LBPRGKRZSA-N 1 0 399.289 1.151 20 0 GDADRO O[C@H](COc1cc(F)cc(Br)c1)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000641230512 531789765 /nfs/dbraw/zinc/78/97/65/531789765.db2.gz ZPBCJRDKHMRRQD-AWEZNQCLSA-N 1 0 385.237 1.872 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623018829 531789953 /nfs/dbraw/zinc/78/99/53/531789953.db2.gz XRWWFHMEXJFTNS-LLVKDONJSA-N 1 0 379.262 1.496 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC000623017855 531790035 /nfs/dbraw/zinc/79/00/35/531790035.db2.gz MBLYNGKOWORVAJ-UHFFFAOYSA-N 1 0 393.289 1.981 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000592491501 531790917 /nfs/dbraw/zinc/79/09/17/531790917.db2.gz LHKFDYRZNYVAKM-OAHLLOKOSA-N 1 0 388.295 1.789 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)NCC[NH2+]C1CCCCCC1 ZINC000417913435 531791162 /nfs/dbraw/zinc/79/11/62/531791162.db2.gz KCYGNJCGXREBEE-UHFFFAOYSA-N 1 0 388.559 1.638 20 0 GDADRO O=C(c1ccc(Br)cc1-n1cnnn1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000623018134 531791366 /nfs/dbraw/zinc/79/13/66/531791366.db2.gz XJSOQINVPATAOW-CYBMUJFWSA-N 1 0 391.273 1.735 20 0 GDADRO CN(C)CCN(C(=O)c1cc(C(F)F)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000623019958 531792172 /nfs/dbraw/zinc/79/21/72/531792172.db2.gz QOCWYWRCAQWZIM-GFCCVEGCSA-N 1 0 378.416 1.954 20 0 GDADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000297438191 531792215 /nfs/dbraw/zinc/79/22/15/531792215.db2.gz UPQRYXDGNYZHGL-BXKDBHETSA-N 1 0 375.288 1.804 20 0 GDADRO C[C@@H]1CC2(CN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1)CC[NH2+]CC2 ZINC000562966914 531792632 /nfs/dbraw/zinc/79/26/32/531792632.db2.gz JZNFHOOECNZOIU-LLVKDONJSA-N 1 0 391.946 1.670 20 0 GDADRO Cc1csc(C(=O)NC[C@@H]2C[NH2+]CCN2C)c1I ZINC000562977736 531792817 /nfs/dbraw/zinc/79/28/17/531792817.db2.gz MNTISRLLNSKNGS-VIFPVBQESA-N 1 0 379.267 1.295 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(Br)cc3-n3cnnn3)C[C@H]2C1 ZINC000623025131 531794216 /nfs/dbraw/zinc/79/42/16/531794216.db2.gz BVENDLBLPLBDCT-PHIMTYICSA-N 1 0 377.246 1.058 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000297456511 531794319 /nfs/dbraw/zinc/79/43/19/531794319.db2.gz ANFJGIGMBAJNGS-ZDUSSCGKSA-N 1 0 398.301 1.945 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c(Br)o1 ZINC000366947279 531794554 /nfs/dbraw/zinc/79/45/54/531794554.db2.gz WOWMJFKGBRSUAK-QMMMGPOBSA-N 1 0 381.248 1.249 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623028272 531794700 /nfs/dbraw/zinc/79/47/00/531794700.db2.gz FKDFTKXXKFHLMB-GXFFZTMASA-N 1 0 379.262 1.589 20 0 GDADRO C[C@H]([C@H](C)[NH2+]C[C@@H](O)COc1cccc(Br)c1)N1CCOCC1 ZINC000562983831 531795048 /nfs/dbraw/zinc/79/50/48/531795048.db2.gz FPCFNTAMSFAPQX-SQWLQELKSA-N 1 0 387.318 1.888 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(F)F ZINC000418000837 531795210 /nfs/dbraw/zinc/79/52/10/531795210.db2.gz KIJYIXQRVFUJAZ-NEPJUHHUSA-N 1 0 378.782 1.866 20 0 GDADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623030616 531796890 /nfs/dbraw/zinc/79/68/90/531796890.db2.gz UYZDUURJCRLBKT-LBPRGKRZSA-N 1 0 393.289 1.887 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)C1 ZINC000366975265 531797097 /nfs/dbraw/zinc/79/70/97/531797097.db2.gz KJOHAKWVTFXOEB-LBPRGKRZSA-N 1 0 380.436 1.820 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1OC ZINC000282793923 531797762 /nfs/dbraw/zinc/79/77/62/531797762.db2.gz YZXHDTAYDZBDJP-UKRRQHHQSA-N 1 0 388.511 1.148 20 0 GDADRO CCOc1cc(C[NH2+]C[C@@]2(OCCO)CCOC2)cc(Br)c1O ZINC000668490336 531802403 /nfs/dbraw/zinc/80/24/03/531802403.db2.gz QFIOCEQBCNWTQC-INIZCTEOSA-N 1 0 390.274 1.811 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cn(-c2ccccc2Br)nn1 ZINC000418115479 531803215 /nfs/dbraw/zinc/80/32/15/531803215.db2.gz PKDFGYZUCGDKDR-UONOGXRCSA-N 1 0 394.317 1.917 20 0 GDADRO Cc1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1I ZINC000563065077 531803476 /nfs/dbraw/zinc/80/34/76/531803476.db2.gz LWAHGKWLDHXQEI-GFCCVEGCSA-N 1 0 387.221 1.406 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCC1CCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC000513988773 531803890 /nfs/dbraw/zinc/80/38/90/531803890.db2.gz CVLYRIGBKRUQFJ-OAHLLOKOSA-N 1 0 388.559 1.322 20 0 GDADRO CCN(C(=O)C(=O)NCc1cc(Br)ccc1OC)[C@H]1CC[N@H+](C)C1 ZINC000668696244 531803985 /nfs/dbraw/zinc/80/39/85/531803985.db2.gz ZNWLMVFKLVXVGH-AWEZNQCLSA-N 1 0 398.301 1.627 20 0 GDADRO C[C@@H]1CN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000418147278 531805144 /nfs/dbraw/zinc/80/51/44/531805144.db2.gz LWTLIYFXXUYMPF-OCCSQVGLSA-N 1 0 388.921 1.387 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418154771 531806265 /nfs/dbraw/zinc/80/62/65/531806265.db2.gz XZZZMNPALTUJRW-OCCSQVGLSA-N 1 0 388.921 1.306 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)NCC(=O)Nc1ccc(I)cc1 ZINC000418156636 531806288 /nfs/dbraw/zinc/80/62/88/531806288.db2.gz BCJUVSDKEZJORR-VIFPVBQESA-N 1 0 390.225 1.218 20 0 GDADRO Cc1nn(C)c(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1Br ZINC000563102716 531806672 /nfs/dbraw/zinc/80/66/72/531806672.db2.gz DYYFHSMQFOVMIY-UHFFFAOYSA-N 1 0 387.322 1.462 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC1([NH3+])CCC1 ZINC000563086236 531807531 /nfs/dbraw/zinc/80/75/31/531807531.db2.gz DXKCXMSLMYQPIZ-HNNXBMFYSA-N 1 0 385.555 1.393 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418159806 531808594 /nfs/dbraw/zinc/80/85/94/531808594.db2.gz COSXLNHJMCZUFC-SNVBAGLBSA-N 1 0 397.328 1.569 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669072223 531809157 /nfs/dbraw/zinc/80/91/57/531809157.db2.gz UQCJEYCFTVBHFJ-IUODEOHRSA-N 1 0 386.905 1.012 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000269950036 531809676 /nfs/dbraw/zinc/80/96/76/531809676.db2.gz VOFJBYBXTNGVKP-YOEHRIQHSA-N 1 0 385.917 1.284 20 0 GDADRO O=C(NCc1cc(Cl)ccc1Br)C(=O)NCC1CC[NH2+]CC1 ZINC000563142996 531812006 /nfs/dbraw/zinc/81/20/06/531812006.db2.gz MDVWEOMXFRNYIN-UHFFFAOYSA-N 1 0 388.693 1.835 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000563140708 531812329 /nfs/dbraw/zinc/81/23/29/531812329.db2.gz ANSPPARYFAWJFG-QMMMGPOBSA-N 1 0 387.811 1.491 20 0 GDADRO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453352927 531812793 /nfs/dbraw/zinc/81/27/93/531812793.db2.gz GIVNQEHKHWJARH-XHNCKOQMSA-N 1 0 380.297 1.945 20 0 GDADRO O=S1(=O)CCO[C@@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000515832137 531812765 /nfs/dbraw/zinc/81/27/65/531812765.db2.gz KZHDRUCLBLUHEY-RYUDHWBXSA-N 1 0 384.281 1.136 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000297674917 531812827 /nfs/dbraw/zinc/81/28/27/531812827.db2.gz DIRBROVWCQLZDM-DGCLKSJQSA-N 1 0 384.274 1.553 20 0 GDADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000453246350 531813249 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GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CCO1 ZINC000669506354 531814472 /nfs/dbraw/zinc/81/44/72/531814472.db2.gz VZJBNNAEAVWVFV-LALPHHSUSA-N 1 0 386.290 1.974 20 0 GDADRO C[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)Oc1cccc(Br)c1 ZINC000669505930 531814509 /nfs/dbraw/zinc/81/45/09/531814509.db2.gz VRMFIACREVRRSU-TYNCELHUSA-N 1 0 386.290 1.974 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000563158542 531815044 /nfs/dbraw/zinc/81/50/44/531815044.db2.gz DFHKOPKCESKFCC-VHSXEESVSA-N 1 0 380.297 1.467 20 0 GDADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1Br ZINC000453576266 531815708 /nfs/dbraw/zinc/81/57/08/531815708.db2.gz VIRKJSMLYZGZIT-SNVBAGLBSA-N 1 0 392.681 1.388 20 0 GDADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NC[C@@H]1C[NH2+]CCO1 ZINC000418204337 531816619 /nfs/dbraw/zinc/81/66/19/531816619.db2.gz XLHMUTBTAALUFL-LBPRGKRZSA-N 1 0 381.274 1.761 20 0 GDADRO Cn1cc(I)c(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000418269078 531817891 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C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418836211 531849857 /nfs/dbraw/zinc/84/98/57/531849857.db2.gz QULZPPMGMNQGGK-AQNFWKISSA-N 1 0 380.286 1.678 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418838122 531850668 /nfs/dbraw/zinc/85/06/68/531850668.db2.gz AQCUAWDXQWELAI-LBPRGKRZSA-N 1 0 382.302 1.707 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000418839569 531850908 /nfs/dbraw/zinc/85/09/08/531850908.db2.gz CUGYHQZMTXKQPW-LBPRGKRZSA-N 1 0 382.302 1.707 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CCN2C1=O ZINC000563548876 531851750 /nfs/dbraw/zinc/85/17/50/531851750.db2.gz AQZQHPTZCXTKPH-BXKDBHETSA-N 1 0 391.686 1.829 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418842351 531851796 /nfs/dbraw/zinc/85/17/96/531851796.db2.gz GNERPOYNVAYZLC-QMTHXVAHSA-N 1 0 386.265 1.361 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000418843226 531852203 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[NH3+]C[C@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)CC[C@@H]1C(F)(F)F ZINC000624390862 531840511 /nfs/dbraw/zinc/84/05/11/531840511.db2.gz KLLNGVMTIOEZGH-GJZGRUSLSA-N 1 0 377.432 1.749 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418800485 531841226 /nfs/dbraw/zinc/84/12/26/531841226.db2.gz BOBAHVQFSPRGMM-NDMCHQMPSA-N 1 0 398.276 1.675 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000418786912 531841527 /nfs/dbraw/zinc/84/15/27/531841527.db2.gz SUGVMZVSYHTRHH-KRWDZBQOSA-N 1 0 398.301 1.580 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000624397940 531842183 /nfs/dbraw/zinc/84/21/83/531842183.db2.gz PQPFZMKJMBGLHK-UHFFFAOYSA-N 1 0 385.711 1.959 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000624395931 531842239 /nfs/dbraw/zinc/84/22/39/531842239.db2.gz VECNBSFGZUDOGM-UHFFFAOYSA-N 1 0 389.674 1.756 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1OC ZINC000624403995 531842714 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ARWDYWWPUCKPKZ-NEPJUHHUSA-N 1 0 393.506 1.396 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC000641615986 531843802 /nfs/dbraw/zinc/84/38/02/531843802.db2.gz ISIJNFANJYCBRM-LLVKDONJSA-N 1 0 388.291 1.254 20 0 GDADRO CCOC1(CS(=O)(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)CCOCC1 ZINC000641625135 531845275 /nfs/dbraw/zinc/84/52/75/531845275.db2.gz SNLMYBFCGQAIMN-SJORKVTESA-N 1 0 376.563 1.954 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3[nH]c4ccccc4c3Br)CCN2C1=O ZINC000563442773 531845561 /nfs/dbraw/zinc/84/55/61/531845561.db2.gz UAPUJZSCOKAFSH-GXSJLCMTSA-N 1 0 377.242 1.314 20 0 GDADRO COC1(CS(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)CCOCC1 ZINC000593584391 531846122 /nfs/dbraw/zinc/84/61/22/531846122.db2.gz MZQDEJQVYYVXRZ-HUUCEWRRSA-N 1 0 378.560 1.023 20 0 GDADRO O=c1c(Br)c(N2CC[C@H]3CC[NH2+][C@H]3C2)cnn1-c1ccccn1 ZINC000643031516 531866109 /nfs/dbraw/zinc/86/61/09/531866109.db2.gz QTUUTRRVTKFTAD-NEPJUHHUSA-N 1 0 376.258 1.578 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCCOc2cccc(Br)c2)CCCCC1 ZINC000418934532 531866086 /nfs/dbraw/zinc/86/60/86/531866086.db2.gz FVNOFIWKMMBUSK-UHFFFAOYSA-N 1 0 398.301 1.722 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418853335 531856424 /nfs/dbraw/zinc/85/64/24/531856424.db2.gz JIIRLKBAIDHXIL-TZMCWYRMSA-N 1 0 382.302 1.878 20 0 GDADRO NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000642318249 531857086 /nfs/dbraw/zinc/85/70/86/531857086.db2.gz DOVBCJGVRLXSMC-CQSZACIVSA-N 1 0 379.507 1.329 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000270313387 531857388 /nfs/dbraw/zinc/85/73/88/531857388.db2.gz GJSJKNLOEJVWRP-UHFFFAOYSA-N 1 0 394.273 1.216 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000418871222 531858726 /nfs/dbraw/zinc/85/87/26/531858726.db2.gz UYVSGAVVDKMJHP-KWCYVHTRSA-N 1 0 380.286 1.694 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc(Br)cn1 ZINC000418868197 531859292 /nfs/dbraw/zinc/85/92/92/531859292.db2.gz PLCDOSKNWXLLLI-WOPDTQHZSA-N 1 0 383.290 1.465 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(I)cnn1C ZINC000563694923 531861227 /nfs/dbraw/zinc/86/12/27/531861227.db2.gz CULZLSXDMFXKTM-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418922995 531862953 /nfs/dbraw/zinc/86/29/53/531862953.db2.gz LSGGLLBWTAWYOM-NSHDSACASA-N 1 0 386.265 1.363 20 0 GDADRO CC(C)[NH+](CCCNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1)C(C)C ZINC000367787340 531863094 /nfs/dbraw/zinc/86/30/94/531863094.db2.gz RVRVJALOXAOKBV-MRXNPFEDSA-N 1 0 376.567 1.561 20 0 GDADRO O=S(=O)(Cc1ccccc1Br)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000672385358 531863315 /nfs/dbraw/zinc/86/33/15/531863315.db2.gz SFYGQUSCALAYKM-CQSZACIVSA-N 1 0 391.331 1.715 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2OC)CC[C@@H]1[NH3+] ZINC000642724556 531863567 /nfs/dbraw/zinc/86/35/67/531863567.db2.gz XZKKSNKLZQSAMR-FZMZJTMJSA-N 1 0 398.301 1.660 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418921734 531863625 /nfs/dbraw/zinc/86/36/25/531863625.db2.gz JWXYEJQZUYIEPE-YGRLFVJLSA-N 1 0 386.265 1.361 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)Oc1ccc(Br)cc1 ZINC000642777834 531863754 /nfs/dbraw/zinc/86/37/54/531863754.db2.gz LBXBIGNACJNFAP-NSHDSACASA-N 1 0 384.274 1.201 20 0 GDADRO Cc1cn2c(n1)CN(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000367800165 531864480 /nfs/dbraw/zinc/86/44/80/531864480.db2.gz IKCWXZSFPXIELI-UHFFFAOYSA-N 1 0 382.873 1.844 20 0 GDADRO O=C(NCC1(c2ccc(Br)cc2)CCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418931591 531865267 /nfs/dbraw/zinc/86/52/67/531865267.db2.gz GKWGYLCQHJVNTQ-CQSZACIVSA-N 1 0 380.286 1.465 20 0 GDADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000270452584 531870652 /nfs/dbraw/zinc/87/06/52/531870652.db2.gz JKZLFEJXHZBLOU-LSDHHAIUSA-N 1 0 389.518 1.242 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCOc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000418946702 531870871 /nfs/dbraw/zinc/87/08/71/531870871.db2.gz LULOALJNIRJQJP-CHWSQXEVSA-N 1 0 398.301 1.448 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H]([NH3+])CC)c1 ZINC000564966811 531871147 /nfs/dbraw/zinc/87/11/47/531871147.db2.gz NIIUCNRDVXPYKV-LLVKDONJSA-N 1 0 379.276 1.641 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418954821 531872070 /nfs/dbraw/zinc/87/20/70/531872070.db2.gz UDZYCWLWGDPZKV-ZDUSSCGKSA-N 1 0 384.274 1.284 20 0 GDADRO COC(=O)[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1Br ZINC000595256347 531872270 /nfs/dbraw/zinc/87/22/70/531872270.db2.gz NLMXUMWJHBEWFE-YGRLFVJLSA-N 1 0 387.299 1.875 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c1OC ZINC000564970973 531872396 /nfs/dbraw/zinc/87/23/96/531872396.db2.gz ZBYMSAYBEKPVOA-NXEZZACHSA-N 1 0 375.878 1.079 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418962290 531873527 /nfs/dbraw/zinc/87/35/27/531873527.db2.gz CTSTZCSUMBPFHG-UHFFFAOYSA-N 1 0 394.273 1.200 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)[C@H](C)C[NH2+]1 ZINC000418973145 531873985 /nfs/dbraw/zinc/87/39/85/531873985.db2.gz OMGFBJFNQWLFCS-NXEZZACHSA-N 1 0 394.273 1.150 20 0 GDADRO COc1ccc(C(=O)CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)cc1Br ZINC000565654921 531874275 /nfs/dbraw/zinc/87/42/75/531874275.db2.gz OHFPKBMLQLDZCF-INIZCTEOSA-N 1 0 396.241 1.314 20 0 GDADRO C[NH+](C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000298313360 531876612 /nfs/dbraw/zinc/87/66/12/531876612.db2.gz LCSDMXDIUJGYCT-UHFFFAOYSA-N 1 0 387.811 1.315 20 0 GDADRO C[C@H](CNC(=O)c1ccc(I)cn1)N1CC[NH+](C)CC1 ZINC000455657725 531876688 /nfs/dbraw/zinc/87/66/88/531876688.db2.gz CUQKTPDBMSXQHC-LLVKDONJSA-N 1 0 388.253 1.052 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000418997403 531876882 /nfs/dbraw/zinc/87/68/82/531876882.db2.gz UNOCMOZYGMJUDR-LZWOXQAQSA-N 1 0 394.313 1.960 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000419001258 531877759 /nfs/dbraw/zinc/87/77/59/531877759.db2.gz AACQQAYCBIZZHG-NTZNESFSSA-N 1 0 398.301 1.831 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000367942094 531878191 /nfs/dbraw/zinc/87/81/91/531878191.db2.gz NDJKGSOIKGJCKY-GOOCMWNKSA-N 1 0 375.535 1.836 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1ccc(OC)c(I)n1 ZINC000270486980 531878250 /nfs/dbraw/zinc/87/82/50/531878250.db2.gz KAPUOWXXTFHUCK-UHFFFAOYSA-N 1 0 377.226 1.766 20 0 GDADRO CN1CC[NH2+]C[C@H]1CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000566092506 531878959 /nfs/dbraw/zinc/87/89/59/531878959.db2.gz FOBOXMCHFKLSIK-JSGCOSHPSA-N 1 0 388.331 1.161 20 0 GDADRO Cc1nc(C(=O)N2CCC(O)(C[NH3+])CC2)nn1-c1c(Cl)cccc1Cl ZINC000566067451 531879203 /nfs/dbraw/zinc/87/92/03/531879203.db2.gz FKVRCBRROORHDE-UHFFFAOYSA-N 1 0 384.267 1.808 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1Br ZINC000419012300 531880733 /nfs/dbraw/zinc/88/07/33/531880733.db2.gz VTQJNWPLKDXMQO-WDEREUQCSA-N 1 0 384.274 1.455 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C(F)F ZINC000566250519 531882359 /nfs/dbraw/zinc/88/23/59/531882359.db2.gz IPADGCDCVVOCGE-SNVBAGLBSA-N 1 0 379.201 1.862 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419028656 531883542 /nfs/dbraw/zinc/88/35/42/531883542.db2.gz XEFXAZAESODNDW-SCDSUCTJSA-N 1 0 396.285 1.633 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000673750316 531883631 /nfs/dbraw/zinc/88/36/31/531883631.db2.gz UTHMSXZWWNDULJ-AWEZNQCLSA-N 1 0 375.922 1.777 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)C1 ZINC000419035215 531884008 /nfs/dbraw/zinc/88/40/08/531884008.db2.gz FPOKPTSXNFVRAQ-NSHDSACASA-N 1 0 386.265 1.792 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000419034549 531884123 /nfs/dbraw/zinc/88/41/23/531884123.db2.gz DKRUDEQHPYYFCV-UHFFFAOYSA-N 1 0 380.901 1.848 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000672842647 531869696 /nfs/dbraw/zinc/86/96/96/531869696.db2.gz VYRAPXMNGPIYQE-CYBMUJFWSA-N 1 0 382.404 1.725 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H](C)Cc2ccccc2Br)C1 ZINC000419050491 531891667 /nfs/dbraw/zinc/89/16/67/531891667.db2.gz CZTCCEFIEXVZJA-YRGRVCCFSA-N 1 0 382.302 1.692 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC000419052414 531892553 /nfs/dbraw/zinc/89/25/53/531892553.db2.gz HUCNYHSVHWAKKL-PWSUYJOCSA-N 1 0 386.265 1.456 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000283781153 531893590 /nfs/dbraw/zinc/89/35/90/531893590.db2.gz CSEAUULESJITJL-UHFFFAOYSA-N 1 0 391.896 1.558 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1cc(Br)cs1)C1=CC[N@H+](C)CC1 ZINC000283773120 531893839 /nfs/dbraw/zinc/89/38/39/531893839.db2.gz DFIOIVMMKGHMCX-SNVBAGLBSA-N 1 0 386.315 1.893 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419055563 531894049 /nfs/dbraw/zinc/89/40/49/531894049.db2.gz OMCZZJLVGVFBQM-LALPHHSUSA-N 1 0 382.302 1.611 20 0 GDADRO C[C@H]1CCSCC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000298488769 531894184 /nfs/dbraw/zinc/89/41/84/531894184.db2.gz JLIDZTHIIBPJCJ-AWEZNQCLSA-N 1 0 385.555 1.210 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419055217 531894285 /nfs/dbraw/zinc/89/42/85/531894285.db2.gz NTCKNONUIWSZBK-PWSUYJOCSA-N 1 0 386.265 1.504 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419056896 531895011 /nfs/dbraw/zinc/89/50/11/531895011.db2.gz SHCFOZCZMUAFLE-LLVKDONJSA-N 1 0 386.265 1.457 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419057740 531895341 /nfs/dbraw/zinc/89/53/41/531895341.db2.gz VEIKZQMEXAKRSO-SECBINFHSA-N 1 0 376.682 1.690 20 0 GDADRO CN(C(=O)C(=O)NCc1cc(Cl)cc(Br)c1)C1CC[NH2+]CC1 ZINC000419065210 531896346 /nfs/dbraw/zinc/89/63/46/531896346.db2.gz IMKWNITYSLFKOT-UHFFFAOYSA-N 1 0 388.693 1.929 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419060322 531896600 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C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000283682973 531885354 /nfs/dbraw/zinc/88/53/54/531885354.db2.gz XUWUTALZUOBEGS-XHDPSFHLSA-N 1 0 380.286 1.664 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419038267 531885889 /nfs/dbraw/zinc/88/58/89/531885889.db2.gz JMWZXTGYPJKFFY-JHJVBQTASA-N 1 0 398.276 1.709 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000419039430 531886242 /nfs/dbraw/zinc/88/62/42/531886242.db2.gz HFXNAPPNTRNPNM-VHSXEESVSA-N 1 0 375.803 1.753 20 0 GDADRO C[NH+](C)CCc1ccc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)cc1 ZINC000566464496 531887506 /nfs/dbraw/zinc/88/75/06/531887506.db2.gz GIHYTGVZUODGOW-UHFFFAOYSA-N 1 0 379.507 1.970 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419043781 531888450 /nfs/dbraw/zinc/88/84/50/531888450.db2.gz RRWNYPLBWHABGI-FZMZJTMJSA-N 1 0 386.265 1.838 20 0 GDADRO CCc1ccc(CS(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000566503777 531889396 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C[C@H]1CCCN(C(=O)C(=O)NCc2cc(F)ccc2Br)[C@@H]1C[NH3+] ZINC000419157072 531906096 /nfs/dbraw/zinc/90/60/96/531906096.db2.gz KRGCXILCKBIIHZ-IINYFYTJSA-N 1 0 386.265 1.790 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419161089 531906250 /nfs/dbraw/zinc/90/62/50/531906250.db2.gz CUAVAJVQCUNARP-QGZVFWFLSA-N 1 0 380.286 1.586 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2cc(F)ccc2Br)C1 ZINC000419156351 531906310 /nfs/dbraw/zinc/90/63/10/531906310.db2.gz JNDDQHUDBOKEHN-WDEREUQCSA-N 1 0 386.265 1.790 20 0 GDADRO COC(=O)C1(c2ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc2)CC1 ZINC000596053178 531906718 /nfs/dbraw/zinc/90/67/18/531906718.db2.gz XHGLDFFCPWKYDM-GFCCVEGCSA-N 1 0 380.388 1.401 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000419163034 531907773 /nfs/dbraw/zinc/90/77/73/531907773.db2.gz ISVNWPHCQBTRNJ-GFCCVEGCSA-N 1 0 382.302 1.960 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568490846 531907850 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Cc1cccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1Br ZINC000419169432 531909188 /nfs/dbraw/zinc/90/91/88/531909188.db2.gz UUNSHFBHSNTFEE-OKILXGFUSA-N 1 0 380.286 1.727 20 0 GDADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cnnn1C ZINC000456378466 531909644 /nfs/dbraw/zinc/90/96/44/531909644.db2.gz VCGCNKKOAXVKMA-LLVKDONJSA-N 1 0 393.289 1.970 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[C@@](C)(C[NH3+])C1 ZINC000568512622 531909834 /nfs/dbraw/zinc/90/98/34/531909834.db2.gz ZBZVJKSYQMLOMI-KRWDZBQOSA-N 1 0 388.555 1.315 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCO[C@@H](c3ccsc3)C2)CCSC1 ZINC000283929567 531909959 /nfs/dbraw/zinc/90/99/59/531909959.db2.gz FCANVSLISPHMSO-PBHICJAKSA-N 1 0 383.539 1.202 20 0 GDADRO CC(C)(CNC(=O)C(=O)NC1CC[NH2+]CC1)c1ccccc1Br ZINC000419186542 531910290 /nfs/dbraw/zinc/91/02/90/531910290.db2.gz MDOYNUIEZURHDC-UHFFFAOYSA-N 1 0 382.302 1.711 20 0 GDADRO Cn1c(=O)cc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)n(C)c1=O ZINC000283939602 531912686 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Cc1nc(C)c([C@H](C)N(C)C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)s1 ZINC000283839019 531901905 /nfs/dbraw/zinc/90/19/05/531901905.db2.gz ALRYYIQEADVNAT-YVEFUNNKSA-N 1 0 384.571 1.833 20 0 GDADRO COc1ccsc1S(=O)(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368286188 531902166 /nfs/dbraw/zinc/90/21/66/531902166.db2.gz RPLONKOTVYINGY-UHFFFAOYSA-N 1 0 387.571 1.795 20 0 GDADRO O=C(NCc1ccc(Br)cc1Cl)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419134645 531903379 /nfs/dbraw/zinc/90/33/79/531903379.db2.gz KLOXWBKNYVAQLI-PHIMTYICSA-N 1 0 386.677 1.397 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)CC[NH2+]1 ZINC000419253378 531917964 /nfs/dbraw/zinc/91/79/64/531917964.db2.gz UGPYYEILDKHGKH-SKDRFNHKSA-N 1 0 384.299 1.532 20 0 GDADRO COC[C@]1(CNC(=O)c2cc(F)ccc2I)CCC[NH2+]1 ZINC000569095266 531918355 /nfs/dbraw/zinc/91/83/55/531918355.db2.gz PXZVUJXDWQNVQG-CQSZACIVSA-N 1 0 392.212 1.929 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000419258006 531919460 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1.224 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419754447 531964993 /nfs/dbraw/zinc/96/49/93/531964993.db2.gz AIRNOAUSCPWERK-MNOVXSKESA-N 1 0 384.274 1.455 20 0 GDADRO COc1ncc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)c(C)c1Br ZINC000627803223 531965565 /nfs/dbraw/zinc/96/55/65/531965565.db2.gz GFDWWEIOCDSYIH-SNVBAGLBSA-N 1 0 385.262 1.310 20 0 GDADRO [NH3+]C[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)C1CC1 ZINC000573247854 531978847 /nfs/dbraw/zinc/97/88/47/531978847.db2.gz QQMAODGGNAHNLE-CVEARBPZSA-N 1 0 385.917 1.601 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419757883 531966383 /nfs/dbraw/zinc/96/63/83/531966383.db2.gz JFVGPBMCZUHWJG-VXGBXAGGSA-N 1 0 385.295 1.557 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cc(F)cc(Br)c1 ZINC000419781613 531968945 /nfs/dbraw/zinc/96/89/45/531968945.db2.gz QBOKUBKETONPLB-KMUNFCNLSA-N 1 0 398.276 1.976 20 0 GDADRO CN(Cc1ncc(Cl)n1C)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000284568299 531969002 /nfs/dbraw/zinc/96/90/02/531969002.db2.gz VWIWRPZNWJAJRC-LLVKDONJSA-N 1 0 383.905 1.513 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419784776 531969124 /nfs/dbraw/zinc/96/91/24/531969124.db2.gz VGUJPXSGFLTMON-WDEREUQCSA-N 1 0 384.274 1.455 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Br)cn2)C[C@@H]1[NH+](C)C ZINC000271117112 531969763 /nfs/dbraw/zinc/96/97/63/531969763.db2.gz RBBXGGZWPNJEMI-QWRGUYRKSA-N 1 0 380.333 1.510 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419798776 531971203 /nfs/dbraw/zinc/97/12/03/531971203.db2.gz YGNOUFWJWMJNJL-UHFFFAOYSA-N 1 0 384.274 1.915 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1C[NH+](C)C ZINC000299244113 531971239 /nfs/dbraw/zinc/97/12/39/531971239.db2.gz WWULRQRARKEOTI-CYBMUJFWSA-N 1 0 381.523 1.793 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C[C@@H]1[NH+](C)C ZINC000271149035 531972446 /nfs/dbraw/zinc/97/24/46/531972446.db2.gz ZXSAACRHJJEMEH-JKSUJKDBSA-N 1 0 383.539 1.628 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000271144716 531972740 /nfs/dbraw/zinc/97/27/40/531972740.db2.gz XMWJPZLZYSWCEK-CJNGLKHVSA-N 1 0 384.318 1.986 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000572999368 531972859 /nfs/dbraw/zinc/97/28/59/531972859.db2.gz TWLCOIVQGLNWKB-WDEREUQCSA-N 1 0 375.194 1.418 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419824232 531974326 /nfs/dbraw/zinc/97/43/26/531974326.db2.gz PIDSVPABBWHHPN-GUTXKFCHSA-N 1 0 396.329 1.940 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419833363 531974784 /nfs/dbraw/zinc/97/47/84/531974784.db2.gz WIWWPMWPOCGWMW-ZOWXZIJZSA-N 1 0 382.302 1.692 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000419835816 531975070 /nfs/dbraw/zinc/97/50/70/531975070.db2.gz AVXVNKRONYHBHB-LBPRGKRZSA-N 1 0 384.274 1.284 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000419835519 531975196 /nfs/dbraw/zinc/97/51/96/531975196.db2.gz WBVJSZADFAWITB-SNVBAGLBSA-N 1 0 378.420 1.723 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1Br ZINC000419830196 531975634 /nfs/dbraw/zinc/97/56/34/531975634.db2.gz FVSQTIIISCLVAS-NEPJUHHUSA-N 1 0 377.304 1.737 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419843993 531976451 /nfs/dbraw/zinc/97/64/51/531976451.db2.gz NQVVLUWKXCFGJV-ZIAGYGMSSA-N 1 0 394.313 1.981 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000419843164 531976573 /nfs/dbraw/zinc/97/65/73/531976573.db2.gz CVLJZVONUQYTCI-UHFFFAOYSA-N 1 0 380.286 1.592 20 0 GDADRO CN1CCO[C@H](C(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)C1 ZINC000458145561 531977750 /nfs/dbraw/zinc/97/77/50/531977750.db2.gz NGURSVIYBCJNRT-DOMZBBRYSA-N 1 0 389.265 1.186 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000419850061 531977808 /nfs/dbraw/zinc/97/78/08/531977808.db2.gz ZTIQEXMMJNPHPT-GJZGRUSLSA-N 1 0 396.285 1.217 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000419849723 531977898 /nfs/dbraw/zinc/97/78/98/531977898.db2.gz ZCKPRSDSVGJLFZ-CABCVRRESA-N 1 0 396.285 1.217 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000419849730 531978083 /nfs/dbraw/zinc/97/80/83/531978083.db2.gz ZCKPRSDSVGJLFZ-LSDHHAIUSA-N 1 0 396.285 1.217 20 0 GDADRO CN1CCO[C@@H](C(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)C1 ZINC000458145562 531978346 /nfs/dbraw/zinc/97/83/46/531978346.db2.gz NGURSVIYBCJNRT-IUODEOHRSA-N 1 0 389.265 1.186 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N(CCOC)Cc1ccc(Br)s1 ZINC000419847578 531978618 /nfs/dbraw/zinc/97/86/18/531978618.db2.gz RUPDGAFPWDJXBB-UHFFFAOYSA-N 1 0 392.319 1.211 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000458755376 531992050 /nfs/dbraw/zinc/99/20/50/531992050.db2.gz FBCSPVZMCFRJKC-CYBMUJFWSA-N 1 0 388.559 1.398 20 0 GDADRO Cn1cc(Br)c(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)n1 ZINC000573895887 531992347 /nfs/dbraw/zinc/99/23/47/531992347.db2.gz CUVKVYRLNXDAKV-UHFFFAOYSA-N 1 0 396.293 1.968 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)COc1ccc(F)cc1Br ZINC000419981508 531992357 /nfs/dbraw/zinc/99/23/57/531992357.db2.gz ABCMCKPVGLLHOJ-HNNXBMFYSA-N 1 0 377.254 1.786 20 0 GDADRO O=C(CC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000573913613 531992663 /nfs/dbraw/zinc/99/26/63/531992663.db2.gz VYNZGDRPZBPBQT-AOOOYVTPSA-N 1 0 384.205 1.121 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)Cc1ccc(I)cc1 ZINC000420003664 531994317 /nfs/dbraw/zinc/99/43/17/531994317.db2.gz VGHRRAYLAAVZOQ-OAHLLOKOSA-N 1 0 390.265 1.653 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]C1)CC2 ZINC000419861880 531979399 /nfs/dbraw/zinc/97/93/99/531979399.db2.gz QBXRWNKXGNKWEF-ZDUSSCGKSA-N 1 0 394.313 1.758 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1Br ZINC000370103914 531982036 /nfs/dbraw/zinc/98/20/36/531982036.db2.gz SGUAWCDWAYRLTC-GWCFXTLKSA-N 1 0 375.288 1.830 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419890249 531982294 /nfs/dbraw/zinc/98/22/94/531982294.db2.gz HQOYWJBQPXPFFE-NWDGAFQWSA-N 1 0 386.265 1.933 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000419892914 531982322 /nfs/dbraw/zinc/98/23/22/531982322.db2.gz PAWOQRBTXDNXPG-CYBMUJFWSA-N 1 0 384.274 1.457 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000419895333 531982336 /nfs/dbraw/zinc/98/23/36/531982336.db2.gz WTPISGIOJSWSCK-ZIAGYGMSSA-N 1 0 384.249 1.730 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419895266 531982430 /nfs/dbraw/zinc/98/24/30/531982430.db2.gz RWCDWSOOMDRSRJ-HNNXBMFYSA-N 1 0 394.313 1.807 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)Cc1csc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000419907015 531983333 /nfs/dbraw/zinc/98/33/33/531983333.db2.gz XGQCXYOIRBHBPH-ZYHUDNBSSA-N 1 0 388.331 1.973 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000271224332 531984227 /nfs/dbraw/zinc/98/42/27/531984227.db2.gz QFOWEEHTIOHQPV-LBPRGKRZSA-N 1 0 393.506 1.160 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000419917704 531985013 /nfs/dbraw/zinc/98/50/13/531985013.db2.gz SHQHEPMIXHCQDH-GFCCVEGCSA-N 1 0 396.285 1.286 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419925281 531986380 /nfs/dbraw/zinc/98/63/80/531986380.db2.gz SPXFIAOBTJRIOM-LLVKDONJSA-N 1 0 384.274 1.142 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656942317 531986489 /nfs/dbraw/zinc/98/64/89/531986489.db2.gz DJQKIJIKNKNMOM-LBPRGKRZSA-N 1 0 385.711 1.693 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419942801 531987783 /nfs/dbraw/zinc/98/77/83/531987783.db2.gz HTNCOMBDRGGKPC-CQSZACIVSA-N 1 0 398.301 1.674 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000419930217 531988129 /nfs/dbraw/zinc/98/81/29/531988129.db2.gz ALZMVLOKAXEYKK-UKRRQHHQSA-N 1 0 395.301 1.766 20 0 GDADRO CC1(C)COC[C@@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000573774542 531990410 /nfs/dbraw/zinc/99/04/10/531990410.db2.gz AOMXOSCQXJVYHK-ZFWWWQNUSA-N 1 0 386.539 1.278 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 ZINC000657061318 531994832 /nfs/dbraw/zinc/99/48/32/531994832.db2.gz MGTPZMWORRHYJB-LBPRGKRZSA-N 1 0 393.506 1.348 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCSC[C@@H]1c1nccs1)C1CCCCC1 ZINC000419967541 531991111 /nfs/dbraw/zinc/99/11/11/531991111.db2.gz OHSHGJNVNBCAST-UONOGXRCSA-N 1 0 382.555 1.783 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C[C@H]1[NH+](C)C ZINC000370613528 531997167 /nfs/dbraw/zinc/99/71/67/531997167.db2.gz BYIYFISMTSIRCG-BZUAXINKSA-N 1 0 381.567 1.786 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000458867656 531997959 /nfs/dbraw/zinc/99/79/59/531997959.db2.gz PTCJWSUOXKRRSJ-UHFFFAOYSA-N 1 0 391.299 1.935 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420000498 531995000 /nfs/dbraw/zinc/99/50/00/531995000.db2.gz OEMITJWMDOSZQV-HNNXBMFYSA-N 1 0 382.302 1.708 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000420015492 531995495 /nfs/dbraw/zinc/99/54/95/531995495.db2.gz QTKNADUDZWEVAH-GFCCVEGCSA-N 1 0 387.311 1.144 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000574878037 531998940 /nfs/dbraw/zinc/99/89/40/531998940.db2.gz NJPDDMHVNKINHC-VIFPVBQESA-N 1 0 376.682 1.690 20 0 GDADRO COCCc1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(C)s2)s1 ZINC000631097792 531999257 /nfs/dbraw/zinc/99/92/57/531999257.db2.gz GKENEUGKRMBOIH-UHFFFAOYSA-N 1 0 375.541 1.770 20 0 GDADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420092080 532000860 /nfs/dbraw/zinc/00/08/60/532000860.db2.gz NWKAUNIGNLHEMW-NSHDSACASA-N 1 0 380.286 1.720 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000420126777 532003954 /nfs/dbraw/zinc/00/39/54/532003954.db2.gz UQKYQMUZZZOGFR-DOMZBBRYSA-N 1 0 382.302 1.564 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2c(F)cncc2Br)C1=O ZINC000657386815 532004759 /nfs/dbraw/zinc/00/47/59/532004759.db2.gz HNFLXTAMHASKRX-VFZGTOFNSA-N 1 0 385.237 1.793 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000420103904 532003141 /nfs/dbraw/zinc/00/31/41/532003141.db2.gz PZONMPLTHKZGJE-QMTHXVAHSA-N 1 0 386.265 1.661 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000420146087 532005624 /nfs/dbraw/zinc/00/56/24/532005624.db2.gz PZPFYCWISFGVQG-IUODEOHRSA-N 1 0 398.301 1.401 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCc2nn(C)cc2Br)CC1 ZINC000459024359 532005962 /nfs/dbraw/zinc/00/59/62/532005962.db2.gz OHTDCDLJDHICBP-GFCCVEGCSA-N 1 0 388.310 1.075 20 0 GDADRO COC(=O)c1cncc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000599103861 532006104 /nfs/dbraw/zinc/00/61/04/532006104.db2.gz TVONIKXOOUWGEU-ZYHUDNBSSA-N 1 0 381.376 1.016 20 0 GDADRO C[C@H]1CC[C@H](NS(=O)(=O)c2cccc(I)c2)C[NH2+]1 ZINC000599102281 532006630 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Cn1cc(Br)cc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000285863729 532117412 /nfs/dbraw/zinc/11/74/12/532117412.db2.gz BDZJIROUXNFUAW-LLVKDONJSA-N 1 0 383.212 1.354 20 0 GDADRO Cc1cc(F)c(S(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c(F)c1 ZINC000425162642 532120801 /nfs/dbraw/zinc/12/08/01/532120801.db2.gz ZZNXZMJPZQBNFC-UHFFFAOYSA-N 1 0 375.485 1.920 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1sccc1Br ZINC000285976141 532123808 /nfs/dbraw/zinc/12/38/08/532123808.db2.gz RXCFWVHIEHRPJU-CMPLNLGQSA-N 1 0 388.331 1.925 20 0 GDADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000330549331 532127988 /nfs/dbraw/zinc/12/79/88/532127988.db2.gz ARRLAPFVZBEIPJ-UHFFFAOYSA-N 1 0 375.878 1.969 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cnc1Br ZINC000273022087 532129726 /nfs/dbraw/zinc/12/97/26/532129726.db2.gz ZNZPUBLCJNFIMY-GXFFZTMASA-N 1 0 381.274 1.690 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)NC[C@@H]3CC[NH2+]C3)CC2=O)ccc1Br ZINC000273062857 532132050 /nfs/dbraw/zinc/13/20/50/532132050.db2.gz TURRQNCWOIYHND-OLZOCXBDSA-N 1 0 380.286 1.836 20 0 GDADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2csc(S(N)(=O)=O)c2)cc1 ZINC000286173162 532135638 /nfs/dbraw/zinc/13/56/38/532135638.db2.gz RACAWBBBWMVBRJ-AWEZNQCLSA-N 1 0 383.495 1.437 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425373755 532135929 /nfs/dbraw/zinc/13/59/29/532135929.db2.gz NLCFREUIJYZEGI-GOEBONIOSA-N 1 0 394.313 1.960 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC[N@@H+]1C ZINC000331108070 532137302 /nfs/dbraw/zinc/13/73/02/532137302.db2.gz AOEHTRGVKUTKIO-LBPRGKRZSA-N 1 0 386.290 1.913 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3cc(Br)cs3)C[C@H]21 ZINC000331561142 532150830 /nfs/dbraw/zinc/15/08/30/532150830.db2.gz JLJJJOLFVUUREO-ZWKOPEQDSA-N 1 0 386.315 1.713 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cc(Br)cs3)C[C@@H]21 ZINC000331561133 532150940 /nfs/dbraw/zinc/15/09/40/532150940.db2.gz JLJJJOLFVUUREO-JIMOISOXSA-N 1 0 386.315 1.713 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C[C@@H]1[NH3+] ZINC000331771938 532152365 /nfs/dbraw/zinc/15/23/65/532152365.db2.gz KCXQERPXNLFFJR-JIMOISOXSA-N 1 0 382.258 1.195 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000375190546 532152741 /nfs/dbraw/zinc/15/27/41/532152741.db2.gz AVUUAFQOQWCNHL-GFCCVEGCSA-N 1 0 389.905 1.471 20 0 GDADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H](CO)c2ccsc2)CC1 ZINC000331839723 532152970 /nfs/dbraw/zinc/15/29/70/532152970.db2.gz MBWPSSVCBKBLEM-OAHLLOKOSA-N 1 0 384.527 1.564 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000273506916 532153175 /nfs/dbraw/zinc/15/31/75/532153175.db2.gz KRJPLXKFBAWYSD-CQSZACIVSA-N 1 0 388.555 1.831 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)s1 ZINC000273504360 532153312 /nfs/dbraw/zinc/15/33/12/532153312.db2.gz VUFIPVHJCNLQCC-GFCCVEGCSA-N 1 0 388.559 1.528 20 0 GDADRO COc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)sc1S(N)(=O)=O ZINC000331282218 532142726 /nfs/dbraw/zinc/14/27/26/532142726.db2.gz VOADNUFPIKKMPY-UHFFFAOYSA-N 1 0 375.516 1.254 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000331523962 532147461 /nfs/dbraw/zinc/14/74/61/532147461.db2.gz GEOQWKJXRHTHGX-NEPJUHHUSA-N 1 0 390.552 1.735 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000331559723 532149851 /nfs/dbraw/zinc/14/98/51/532149851.db2.gz FTCQDVYGQNZTCA-WDEREUQCSA-N 1 0 386.315 1.537 20 0 GDADRO [NH3+]C[C@@H]1CCCN1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000332136817 532166064 /nfs/dbraw/zinc/16/60/64/532166064.db2.gz MCBFRGBMQXJCAC-LBPRGKRZSA-N 1 0 384.278 1.636 20 0 GDADRO CN1C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Br)cc3)CC[C@@H]21 ZINC000332159043 532167509 /nfs/dbraw/zinc/16/75/09/532167509.db2.gz OYLGKQRDZLBFNH-CFVMTHIKSA-N 1 0 384.274 1.287 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000332172595 532168099 /nfs/dbraw/zinc/16/80/99/532168099.db2.gz PZGQLCHBIYWHQL-SNVBAGLBSA-N 1 0 384.249 1.293 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000332176484 532168400 /nfs/dbraw/zinc/16/84/00/532168400.db2.gz RGQRQZDVJLDEIN-AAEUAGOBSA-N 1 0 380.286 1.530 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)s1 ZINC000286720609 532170949 /nfs/dbraw/zinc/17/09/49/532170949.db2.gz NIJXVJALSSBKHB-NEPJUHHUSA-N 1 0 388.511 1.791 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000286514906 532155888 /nfs/dbraw/zinc/15/58/88/532155888.db2.gz ONLGVJFJFCPNRW-JTQLQIEISA-N 1 0 376.320 1.925 20 0 GDADRO CS[C@@H]1CN(C(=O)C[C@H](NC(N)=O)c2cccs2)C[C@H]1[NH+]1CCCC1 ZINC000273546752 532155940 /nfs/dbraw/zinc/15/59/40/532155940.db2.gz USBIXVNTHAGJFY-GZBFAFLISA-N 1 0 382.555 1.886 20 0 GDADRO Cn1cc([C@H]2CSCCN2S(=O)(=O)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000331967091 532158014 /nfs/dbraw/zinc/15/80/14/532158014.db2.gz VUPDCKQYGRKLEH-QGZVFWFLSA-N 1 0 380.539 1.961 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000332037603 532161370 /nfs/dbraw/zinc/16/13/70/532161370.db2.gz JVKUBEQTMCOQIU-GFCCVEGCSA-N 1 0 386.221 1.088 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cnn2cc(Br)cnc12 ZINC000332065367 532162181 /nfs/dbraw/zinc/16/21/81/532162181.db2.gz RLTKBFWBKUTRPX-LBPRGKRZSA-N 1 0 382.262 1.068 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000332066842 532162286 /nfs/dbraw/zinc/16/22/86/532162286.db2.gz SHHZXCPUFVKNMN-VXGBXAGGSA-N 1 0 384.249 1.863 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)CC2=O)ccc1Br ZINC000332091913 532163956 /nfs/dbraw/zinc/16/39/56/532163956.db2.gz AJLZOBQXARCXBU-ZOWXZIJZSA-N 1 0 380.286 1.916 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)c1[nH]nc2ccc(I)cc21 ZINC000427171828 532177898 /nfs/dbraw/zinc/17/78/98/532177898.db2.gz OKSOAMBQMGNVET-UHFFFAOYSA-N 1 0 382.205 1.817 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1F ZINC000332295476 532178139 /nfs/dbraw/zinc/17/81/39/532178139.db2.gz KFCPDHIOSDCKIS-GHMZBOCLSA-N 1 0 384.249 1.903 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@@H]1[NH+](C)C ZINC000273957267 532178347 /nfs/dbraw/zinc/17/83/47/532178347.db2.gz YYHHWPXQNTZWSX-RYUDHWBXSA-N 1 0 389.319 1.657 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccc(Br)c3)CC2)C1=O ZINC000332334116 532180681 /nfs/dbraw/zinc/18/06/81/532180681.db2.gz TZPOVLUCDUPGGH-HNNXBMFYSA-N 1 0 380.286 1.874 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000286836825 532180798 /nfs/dbraw/zinc/18/07/98/532180798.db2.gz KCGVWIQJBLDZAF-GFCCVEGCSA-N 1 0 382.511 1.900 20 0 GDADRO NC(=O)c1csc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000375747106 532181713 /nfs/dbraw/zinc/18/17/13/532181713.db2.gz UEYZCQXHSOXKFT-NSHDSACASA-N 1 0 385.536 1.709 20 0 GDADRO O=S(=O)(N[C@@H]1CCC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000375621587 532172989 /nfs/dbraw/zinc/17/29/89/532172989.db2.gz UTHIBBXIRRZSDA-SNVBAGLBSA-N 1 0 391.287 1.641 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332246088 532174073 /nfs/dbraw/zinc/17/40/73/532174073.db2.gz ARTKMQDAQZYMRN-WDEREUQCSA-N 1 0 384.249 1.903 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)CC2 ZINC000332512467 532191915 /nfs/dbraw/zinc/19/19/15/532191915.db2.gz VHYMTBBMDVIAKE-WBMJQRKESA-N 1 0 394.313 1.756 20 0 GDADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000287069018 532194097 /nfs/dbraw/zinc/19/40/97/532194097.db2.gz JZRHFMMLORNRIZ-ZFWWWQNUSA-N 1 0 385.555 1.539 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1F ZINC000376062666 532194200 /nfs/dbraw/zinc/19/42/00/532194200.db2.gz UQRIGZMCJWPICK-UHFFFAOYSA-N 1 0 390.502 1.382 20 0 GDADRO O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccc(I)cc1 ZINC000428042334 532196374 /nfs/dbraw/zinc/19/63/74/532196374.db2.gz LPSCNNMPKOIUED-FZMZJTMJSA-N 1 0 385.249 1.914 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(c2cncc(Br)c2)CC1 ZINC000376135258 532197051 /nfs/dbraw/zinc/19/70/51/532197051.db2.gz QOZRRYATKRGQJG-HUUCEWRRSA-N 1 0 380.286 1.855 20 0 GDADRO [NH3+]CC1CCN(C(=O)c2n[nH]c3ccc(I)cc32)CC1 ZINC000428120667 532198072 /nfs/dbraw/zinc/19/80/72/532198072.db2.gz KRAMGUUCMLXAFE-UHFFFAOYSA-N 1 0 384.221 1.978 20 0 GDADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000286934392 532185987 /nfs/dbraw/zinc/18/59/87/532185987.db2.gz DXRPFUXZJKIOLZ-HZMBPMFUSA-N 1 0 389.880 1.825 20 0 GDADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000332447635 532187367 /nfs/dbraw/zinc/18/73/67/532187367.db2.gz DPFGCYCRFRSLDL-UHFFFAOYSA-N 1 0 384.249 1.341 20 0 GDADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(CCCS(C)(=O)=O)C2)CC1 ZINC000375898235 532188528 /nfs/dbraw/zinc/18/85/28/532188528.db2.gz QHSUORRVRMLJDC-OAHLLOKOSA-N 1 0 375.535 1.048 20 0 GDADRO COC(=O)CC[N@@H+](CC(OC)OC)C[C@H](O)c1ccccc1Br ZINC000274353681 532205037 /nfs/dbraw/zinc/20/50/37/532205037.db2.gz XLRYMPPCGXEXPA-AWEZNQCLSA-N 1 0 390.274 1.967 20 0 GDADRO CNC(=O)c1cccc(NC(=O)N[C@H]2CC[N@H+](CCOC)C2)c1Br ZINC000287277968 532206008 /nfs/dbraw/zinc/20/60/08/532206008.db2.gz DZMFUQFKNKRBSA-NSHDSACASA-N 1 0 399.289 1.651 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000274375443 532206522 /nfs/dbraw/zinc/20/65/22/532206522.db2.gz TUBJYKRKDSCJQP-SECBINFHSA-N 1 0 389.681 1.846 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)CC[C@@H]1[NH3+] ZINC000332703791 532206801 /nfs/dbraw/zinc/20/68/01/532206801.db2.gz XLILQYCBCQHYBA-INWMFGNUSA-N 1 0 394.313 1.961 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N3CCC[C@@H]([NH3+])C3)C2=O)ccc1Br ZINC000332701141 532206819 /nfs/dbraw/zinc/20/68/19/532206819.db2.gz WDCDWEGRUSWWCR-DOMZBBRYSA-N 1 0 395.301 1.996 20 0 GDADRO CCOCCS(=O)(=O)NCC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000428425458 532207250 /nfs/dbraw/zinc/20/72/50/532207250.db2.gz CVXLSJSZSGBHGS-UHFFFAOYSA-N 1 0 377.551 1.055 20 0 GDADRO O=C(Cc1cccc(Br)c1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428600099 532212579 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GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)c(C)s1 ZINC000333741523 532247602 /nfs/dbraw/zinc/24/76/02/532247602.db2.gz XQNMPZNEBGBOKB-AWEZNQCLSA-N 1 0 386.543 1.133 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000333727573 532247910 /nfs/dbraw/zinc/24/79/10/532247910.db2.gz HHAWHVVJADGCNQ-UONOGXRCSA-N 1 0 386.543 1.200 20 0 GDADRO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000430385040 532248977 /nfs/dbraw/zinc/24/89/77/532248977.db2.gz HNSGOMRLQXPBCB-CQSZACIVSA-N 1 0 378.491 1.286 20 0 GDADRO C[C@H]1C[C@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC[NH2+]1 ZINC000333769927 532249153 /nfs/dbraw/zinc/24/91/53/532249153.db2.gz BWLQMGUNQHCZFE-VHSXEESVSA-N 1 0 378.424 1.529 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000333835125 532251674 /nfs/dbraw/zinc/25/16/74/532251674.db2.gz NGFAZOMMNAVGMP-BYCMXARLSA-N 1 0 395.301 1.630 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CCOC2(C[NH2+]C2)C1 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398.257 1.338 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)s1 ZINC000288319479 532281734 /nfs/dbraw/zinc/28/17/34/532281734.db2.gz WRNOXOBTPYUZRU-UHFFFAOYSA-N 1 0 390.531 1.223 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432290631 532282644 /nfs/dbraw/zinc/28/26/44/532282644.db2.gz CXNMNQGFWXBKHP-OAGGEKHMSA-N 1 0 376.519 1.139 20 0 GDADRO O=C(NCCn1cc(Br)cn1)N1CCC[C@H]1CN1CCOCC1 ZINC000288341842 532283326 /nfs/dbraw/zinc/28/33/26/532283326.db2.gz ZIPPOCJORQIXFC-AWEZNQCLSA-N 1 0 386.294 1.152 20 0 GDADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000275372950 532291298 /nfs/dbraw/zinc/29/12/98/532291298.db2.gz APGMRLFSERSAMV-UHFFFAOYSA-N 1 0 377.413 1.527 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)[C@H]3CCOC3)nc12 ZINC000288492744 532292977 /nfs/dbraw/zinc/29/29/77/532292977.db2.gz HLFSGSCMRSBITK-ZDUSSCGKSA-N 1 0 395.257 1.269 20 0 GDADRO C[NH2+][C@H](C)c1cn(CC(=O)Nc2cccc(I)c2)nn1 ZINC000381152498 532295204 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ZINC000737221538 599003752 /nfs/dbraw/zinc/00/37/52/599003752.db2.gz NUEFVCWOSRBJBU-INIZCTEOSA-N 1 0 390.513 1.814 20 0 GDADRO CC1CCC([NH+]2CCN(C(=O)COc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736239034 599016642 /nfs/dbraw/zinc/01/66/42/599016642.db2.gz FUEPZTAXZNHUAT-UHFFFAOYSA-N 1 0 384.484 1.968 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C=Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736855390 599034194 /nfs/dbraw/zinc/03/41/94/599034194.db2.gz GIIURZKIQUNBID-KBOKABMXSA-N 1 0 381.484 1.118 20 0 GDADRO C[C@@H](O)C[N@H+](C)C1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736143830 599054189 /nfs/dbraw/zinc/05/41/89/599054189.db2.gz LJFQWZVMRXGFPC-SNVBAGLBSA-N 1 0 385.394 1.562 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000737738428 599071042 /nfs/dbraw/zinc/07/10/42/599071042.db2.gz JCSLPJPPTBOSQI-SFHVURJKSA-N 1 0 377.452 1.605 20 0 GDADRO C[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000736026592 599088689 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DPQWTRLOKGHUFP-KRWDZBQOSA-N 1 0 387.488 1.509 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cccc1-c1nn[nH]n1 ZINC000822045033 607279915 /nfs/dbraw/zinc/27/99/15/607279915.db2.gz OEQBECDZYYHCMZ-CJNGLKHVSA-N 1 0 383.456 1.056 20 0 GDADRO C[NH+](C)C1(CNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CCCCC1 ZINC000736756804 599254692 /nfs/dbraw/zinc/25/46/92/599254692.db2.gz MEGILNQWJSHSSO-UHFFFAOYSA-N 1 0 379.490 1.191 20 0 GDADRO Cc1c(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1-c1nn[nH]n1 ZINC000822091918 607291705 /nfs/dbraw/zinc/29/17/05/607291705.db2.gz UZMJRGIAXOYCTM-AWEZNQCLSA-N 1 0 385.472 1.798 20 0 GDADRO O=C(CCCC(=O)NC1CC[NH+](C2CC2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000822955181 607299480 /nfs/dbraw/zinc/29/94/80/607299480.db2.gz LCTZUFAWESXLBG-UHFFFAOYSA-N 1 0 397.483 1.719 20 0 GDADRO COc1ccc(C[NH+](C)C)cc1NC[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821795356 607313376 /nfs/dbraw/zinc/31/33/76/607313376.db2.gz YFEINZRDECTJGD-ZDUSSCGKSA-N 1 0 383.460 1.287 20 0 GDADRO Cn1c(Sc2ncc(-c3nn[nH]n3)cc2Cl)nnc1[C@@H]1CCC[NH2+]C1 ZINC000737590669 599266995 /nfs/dbraw/zinc/26/69/95/599266995.db2.gz BUEMBCBDEZJGQE-MRVPVSSYSA-N 1 0 377.865 1.662 20 0 GDADRO O=C(CCCC(=O)Nc1ccccc1-c1nn[nH]n1)NCC[NH+]1CCCCCC1 ZINC000822954787 607319785 /nfs/dbraw/zinc/31/97/85/607319785.db2.gz DCSREASNRPWQJQ-UHFFFAOYSA-N 1 0 399.499 1.968 20 0 GDADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC000820892820 607338819 /nfs/dbraw/zinc/33/88/19/607338819.db2.gz FRHUZOWJOOSKNW-OAHLLOKOSA-N 1 0 391.451 1.427 20 0 GDADRO C[NH+](C)Cc1ccc(C(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000736771404 598231439 /nfs/dbraw/zinc/23/14/39/598231439.db2.gz KFJSEBLRIOSFDZ-UHFFFAOYSA-N 1 0 391.479 1.891 20 0 GDADRO C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[NH+]2CCCCCCC2)C1=O ZINC000736225116 598233104 /nfs/dbraw/zinc/23/31/04/598233104.db2.gz VVDSLNDPVPYCHT-LJQANCHMSA-N 1 0 383.456 1.857 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736860382 598271062 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C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC(=O)NCC(F)(F)F ZINC000820410772 599388092 /nfs/dbraw/zinc/38/80/92/599388092.db2.gz GPTWPSXGTZODAQ-DTWKUNHWSA-N 1 0 385.350 1.294 20 0 GDADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822496279 599396318 /nfs/dbraw/zinc/39/63/18/599396318.db2.gz HWNJERYEPNEENN-CYBMUJFWSA-N 1 0 382.472 1.596 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C)nn3)C2)cc1-c1nn[nH]n1 ZINC000821805296 599430616 /nfs/dbraw/zinc/43/06/16/599430616.db2.gz SSAILFSISCLDMT-HNNXBMFYSA-N 1 0 380.456 1.732 20 0 GDADRO COc1ccc([C@@H](C)CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000821778059 599448389 /nfs/dbraw/zinc/44/83/89/599448389.db2.gz SPPFIANWEHMXLR-UONOGXRCSA-N 1 0 382.472 1.897 20 0 GDADRO O=C(NCCOC1CCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823206028 599469654 /nfs/dbraw/zinc/46/96/54/599469654.db2.gz GMKZMVSHGLEKMW-UHFFFAOYSA-N 1 0 399.499 1.653 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)C1 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FWCDGPZYAFXCLS-HYVNUMGLSA-N 1 0 380.485 1.938 20 0 GDADRO COc1ccc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1-c1nn[nH]n1 ZINC000826192334 607496428 /nfs/dbraw/zinc/49/64/28/607496428.db2.gz JQKRDKDNOWBHOC-HNNXBMFYSA-N 1 0 380.456 1.766 20 0 GDADRO COC(=O)[C@@H]1CC12CC[NH+](CCOCC[NH+]1CCC3(C[C@@H]3C(=O)[O-])CC1)CC2 ZINC000831100700 601381498 /nfs/dbraw/zinc/38/14/98/601381498.db2.gz PJERXJNOFTWEMD-SJORKVTESA-N 1 0 394.512 1.465 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C[C@@H]1[NH+](C)C ZINC000828378394 601755525 /nfs/dbraw/zinc/75/55/25/601755525.db2.gz QIIYPVYSWOCTMU-QAPCUYQASA-N 1 0 389.500 1.307 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000826181920 607525885 /nfs/dbraw/zinc/52/58/85/607525885.db2.gz SGOVEEQCFXPIEZ-MRXNPFEDSA-N 1 0 380.456 1.766 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000826175701 607526237 /nfs/dbraw/zinc/52/62/37/607526237.db2.gz NDTBKBIURUMHFV-OAHLLOKOSA-N 1 0 383.456 1.997 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=S)Nc1ccccc1-c1nn[nH]n1 ZINC000825848222 607530821 /nfs/dbraw/zinc/53/08/21/607530821.db2.gz AFENLMXKQIZAKV-WQVCFCJDSA-N 1 0 387.513 1.747 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=S)NC[C@H]1CCOC1 ZINC000825866467 607530909 /nfs/dbraw/zinc/53/09/09/607530909.db2.gz YPKPTENEOIFVCU-OAHLLOKOSA-N 1 0 389.529 1.141 20 0 GDADRO COc1cccc(C(C)(C)C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826214662 607531440 /nfs/dbraw/zinc/53/14/40/607531440.db2.gz SRDIDBNCDGCGES-QGZVFWFLSA-N 1 0 380.452 1.969 20 0 GDADRO COC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000826150380 607541235 /nfs/dbraw/zinc/54/12/35/607541235.db2.gz CRDDIDRSRMUGKR-GOSISDBHSA-N 1 0 399.499 1.509 20 0 GDADRO Cc1nccn1CCC[N@@H+](C)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000826330882 607544757 /nfs/dbraw/zinc/54/47/57/607544757.db2.gz LYLMFNQAYHUMCK-UHFFFAOYSA-N 1 0 392.471 1.918 20 0 GDADRO O=C(C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826410072 607558805 /nfs/dbraw/zinc/55/88/05/607558805.db2.gz AFSAINAFVHOLDG-RYUDHWBXSA-N 1 0 376.848 1.817 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000826491088 607580833 /nfs/dbraw/zinc/58/08/33/607580833.db2.gz SVCDPVJWCUSWFZ-UHFFFAOYSA-N 1 0 384.893 1.674 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)CC1 ZINC000825328715 607601862 /nfs/dbraw/zinc/60/18/62/607601862.db2.gz WLKCUSWTUAICHK-UHFFFAOYSA-N 1 0 378.502 1.575 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)CC1 ZINC000825327336 607601936 /nfs/dbraw/zinc/60/19/36/607601936.db2.gz IYMNHVDMLYRVDE-UHFFFAOYSA-N 1 0 398.920 1.920 20 0 GDADRO O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000826496262 607607973 /nfs/dbraw/zinc/60/79/73/607607973.db2.gz QBQVJFNYCQEMNY-AWEZNQCLSA-N 1 0 376.486 1.506 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000825851291 607633511 /nfs/dbraw/zinc/63/35/11/607633511.db2.gz 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O=C(NC[C@H]1COCC[NH2+]1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000529382744 649942587 /nfs/dbraw/zinc/94/25/87/649942587.db2.gz VHLLCBHUSPZIFR-GJZGRUSLSA-N 1 0 384.274 1.520 20 0 GDADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000529427223 649944845 /nfs/dbraw/zinc/94/48/45/649944845.db2.gz PHQDXJJQVHSKIU-QMTHXVAHSA-N 1 0 377.869 1.308 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1CCC(=O)[O-] ZINC000833625646 605279134 /nfs/dbraw/zinc/27/91/34/605279134.db2.gz ZGYISVNHLAQRSQ-QGZVFWFLSA-N 1 0 388.512 1.055 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000826402378 607752213 /nfs/dbraw/zinc/75/22/13/607752213.db2.gz SBYMDVIYMLCTQB-IWAYRVGRSA-N 1 0 382.468 1.593 20 0 GDADRO CCOC(=O)Nc1ccc(NC(=O)NCC[N@H+](C)C(C)C)cc1-c1nn[nH]n1 ZINC000825538190 607766184 /nfs/dbraw/zinc/76/61/84/607766184.db2.gz BMDOXZCDKLOYCA-UHFFFAOYSA-N 1 0 390.448 1.897 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccc(Cl)c(Cl)c1 ZINC000530032373 649962891 /nfs/dbraw/zinc/96/28/91/649962891.db2.gz QZNNADIBYZWFJV-LBPRGKRZSA-N 1 0 385.255 1.103 20 0 GDADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000820518758 606028603 /nfs/dbraw/zinc/02/86/03/606028603.db2.gz KHCYZZRDGZMJPS-HOCLYGCPSA-N 1 0 384.484 1.824 20 0 GDADRO C[N@@H+]1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C2(CCCCC2)C1 ZINC000821626899 606096960 /nfs/dbraw/zinc/09/69/60/606096960.db2.gz DNXJGMOJOWLFFT-QGZVFWFLSA-N 1 0 386.500 1.557 20 0 GDADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000822207218 606165595 /nfs/dbraw/zinc/16/55/95/606165595.db2.gz OOHQYVLUIYHTNA-UHFFFAOYSA-N 1 0 396.459 1.304 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000821254993 606189056 /nfs/dbraw/zinc/18/90/56/606189056.db2.gz RJCCHVFBGXRJIJ-GDBMZVCRSA-N 1 0 392.529 1.445 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)CC1 ZINC000821680098 606189959 /nfs/dbraw/zinc/18/99/59/606189959.db2.gz ZGNRTOPVFCMUSO-UHFFFAOYSA-N 1 0 399.455 1.399 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@@H](C)C1 ZINC000820769723 606223096 /nfs/dbraw/zinc/22/30/96/606223096.db2.gz WBKZCFRMMBJWHC-SMDDNHRTSA-N 1 0 384.531 1.466 20 0 GDADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820760045 606261142 /nfs/dbraw/zinc/26/11/42/606261142.db2.gz PBRGJLUXKONXRJ-YOEHRIQHSA-N 1 0 379.468 1.846 20 0 GDADRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCCC[C@@H]1C ZINC000820703189 606307298 /nfs/dbraw/zinc/30/72/98/606307298.db2.gz DGFYVAOHHHISGF-GJZGRUSLSA-N 1 0 392.529 1.493 20 0 GDADRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCCCC1 ZINC000820275807 606309376 /nfs/dbraw/zinc/30/93/76/606309376.db2.gz RZDHYGUILDADAC-AWEZNQCLSA-N 1 0 378.502 1.104 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1 ZINC000821189761 606312413 /nfs/dbraw/zinc/31/24/13/606312413.db2.gz SLRHSPNTQUVUIU-UHFFFAOYSA-N 1 0 396.455 1.519 20 0 GDADRO 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ZINC000823715937 606422659 /nfs/dbraw/zinc/42/26/59/606422659.db2.gz ZPKZSAQDXXCRPM-DOTOQJQBSA-N 1 0 384.509 1.901 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000820994255 606423329 /nfs/dbraw/zinc/42/33/29/606423329.db2.gz GBXXTXRQJGDKLI-GXTWGEPZSA-N 1 0 398.558 1.857 20 0 GDADRO CN(c1ccc(Cl)c(-c2nn[nH]n2)n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000821619269 606464730 /nfs/dbraw/zinc/46/47/30/606464730.db2.gz POWHWUTZNMKVIW-UHFFFAOYSA-N 1 0 387.879 1.712 20 0 GDADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000822733280 606524677 /nfs/dbraw/zinc/52/46/77/606524677.db2.gz WQWGVTOHVHXULX-UHFFFAOYSA-N 1 0 376.371 1.966 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000821587424 606552826 /nfs/dbraw/zinc/55/28/26/606552826.db2.gz WQRKBZYOXPMEJA-UHFFFAOYSA-N 1 0 386.481 1.897 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)s2)[C@@H](C)C1 ZINC000821378132 606565032 /nfs/dbraw/zinc/56/50/32/606565032.db2.gz 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YYQFDQOUJLKRMR-LBPRGKRZSA-N 1 0 391.863 1.259 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000824051772 607859615 /nfs/dbraw/zinc/85/96/15/607859615.db2.gz DKNJHCRBHBMULM-NQBHXWOUSA-N 1 0 390.513 1.837 20 0 GDADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826404227 607949016 /nfs/dbraw/zinc/94/90/16/607949016.db2.gz SZMSZTKWPDASMX-UHFFFAOYSA-N 1 0 382.468 1.791 20 0 GDADRO Cc1c(CCC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cnn1C ZINC000826236490 607976280 /nfs/dbraw/zinc/97/62/80/607976280.db2.gz OKCPSAJNVFLCEA-UHFFFAOYSA-N 1 0 396.499 1.432 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000826073308 608020141 /nfs/dbraw/zinc/02/01/41/608020141.db2.gz NJPMHFCPOLYHGK-UHFFFAOYSA-N 1 0 394.361 1.611 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCC(=O)c2ccccc2)c1-c1nn[nH]n1 ZINC000826077362 608020666 /nfs/dbraw/zinc/02/06/66/608020666.db2.gz FPZBRBDRGIFWCB-UHFFFAOYSA-N 1 0 382.428 1.343 20 0 GDADRO 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FUPLQCGHOHTKCU-UHFFFAOYSA-N 1 0 389.467 1.617 20 0 GDADRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cnc2c(C(N)=O)cnn2c1 ZINC000824293522 608531845 /nfs/dbraw/zinc/53/18/45/608531845.db2.gz PTHIDBYZUSBAIT-UHFFFAOYSA-N 1 0 391.439 1.419 20 0 GDADRO COc1ccc(CNC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826197516 608533913 /nfs/dbraw/zinc/53/39/13/608533913.db2.gz RWPLAPBRBNSQMX-UHFFFAOYSA-N 1 0 378.436 1.770 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824449233 608579275 /nfs/dbraw/zinc/57/92/75/608579275.db2.gz MSMUYHIBZKJBMU-AWEZNQCLSA-N 1 0 387.465 1.698 20 0 GDADRO COc1ccc([C@H](C)C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000826188163 608590399 /nfs/dbraw/zinc/59/03/99/608590399.db2.gz PABDMVRZFHVHDF-HUUCEWRRSA-N 1 0 394.483 1.980 20 0 GDADRO Cn1cc(C(=O)NCC2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cn1 ZINC000826358923 608661549 /nfs/dbraw/zinc/66/15/49/608661549.db2.gz NWCORZJNQBDNCQ-UHFFFAOYSA-N 1 0 386.485 1.304 20 0 GDADRO 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609137471 /nfs/dbraw/zinc/13/74/71/609137471.db2.gz LCEWKARIBDDDJM-LBPRGKRZSA-N 1 0 384.415 1.981 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCCS(=O)(=O)NC1CC1)c1ccc(Cl)cc1 ZINC000530602576 649979843 /nfs/dbraw/zinc/97/98/43/649979843.db2.gz POZAPTQOKYYYIO-HNNXBMFYSA-N 1 0 388.921 1.324 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2cncn2)cc1 ZINC000824563784 609179968 /nfs/dbraw/zinc/17/99/68/609179968.db2.gz QDCMDOJOVVBUOS-CYBMUJFWSA-N 1 0 389.423 1.737 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000825848247 609207255 /nfs/dbraw/zinc/20/72/55/609207255.db2.gz AUZVHVNMDGTPFT-DLBZAZTESA-N 1 0 384.415 1.458 20 0 GDADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC000826157750 609208794 /nfs/dbraw/zinc/20/87/94/609208794.db2.gz KBANAWSURGFFDQ-UHFFFAOYSA-N 1 0 399.455 1.082 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826435539 609232257 /nfs/dbraw/zinc/23/22/57/609232257.db2.gz 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C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C1=CC[N@H+](C)CC1 ZINC000824470702 609314376 /nfs/dbraw/zinc/31/43/76/609314376.db2.gz KTUOCLISKCZVMY-RDTXWAMCSA-N 1 0 381.484 1.602 20 0 GDADRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)c21 ZINC000826217708 609314796 /nfs/dbraw/zinc/31/47/96/609314796.db2.gz YYRPYUXQZBVWMU-GOSISDBHSA-N 1 0 391.435 1.715 20 0 GDADRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824607479 609325213 /nfs/dbraw/zinc/32/52/13/609325213.db2.gz YWJAZBNHPIIYID-LLVKDONJSA-N 1 0 390.444 1.547 20 0 GDADRO Cn1cc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361475 609338816 /nfs/dbraw/zinc/33/88/16/609338816.db2.gz YEGSBIYTZSXSKM-QZTJIDSGSA-N 1 0 394.483 1.220 20 0 GDADRO COCCCN(C)CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826156150 609339825 /nfs/dbraw/zinc/33/98/25/609339825.db2.gz RJYFJCZEFNGYDP-UHFFFAOYSA-N 1 0 384.488 1.325 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CN1C1CC1 ZINC000824894349 609341219 /nfs/dbraw/zinc/34/12/19/609341219.db2.gz YQFWTEWRYUKFLQ-GUYCJALGSA-N 1 0 378.484 1.982 20 0 GDADRO Cn1cc(C[NH2+]CCCNC(=O)C2CCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361913 609342127 /nfs/dbraw/zinc/34/21/27/609342127.db2.gz VTAWSASKUFWESF-UHFFFAOYSA-N 1 0 394.483 1.663 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC1 ZINC000825459715 609361279 /nfs/dbraw/zinc/36/12/79/609361279.db2.gz MDCSMBAXJSBXTP-UHFFFAOYSA-N 1 0 399.434 1.751 20 0 GDADRO C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000825909388 609378209 /nfs/dbraw/zinc/37/82/09/609378209.db2.gz XTOWJYMGKWWUJW-FPMFFAJLSA-N 1 0 376.486 1.516 20 0 GDADRO CC(C)(C)[C@@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000824080075 609501630 /nfs/dbraw/zinc/50/16/30/609501630.db2.gz UFONGSDJKDTXDQ-MRXNPFEDSA-N 1 0 397.483 1.956 20 0 GDADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl 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388.555 1.546 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000555368743 650690076 /nfs/dbraw/zinc/69/00/76/650690076.db2.gz ZYWBVJPWMJCLOF-GJZGRUSLSA-N 1 0 388.555 1.546 20 0 GDADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000556236141 650700785 /nfs/dbraw/zinc/70/07/85/650700785.db2.gz OJHXHUGZIRLQKY-CJNGLKHVSA-N 1 0 375.512 1.414 20 0 GDADRO CN(CC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)S(=O)(=O)c1cccs1 ZINC000556263965 650701142 /nfs/dbraw/zinc/70/11/42/650701142.db2.gz IOJIHJYBHAEPJD-STQMWFEESA-N 1 0 380.557 1.314 20 0 GDADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000556354537 650703062 /nfs/dbraw/zinc/70/30/62/650703062.db2.gz RKVYPROUWWZIDX-CYBMUJFWSA-N 1 0 388.295 1.686 20 0 GDADRO O=S1(=O)CCO[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000556411474 650705101 /nfs/dbraw/zinc/70/51/01/650705101.db2.gz CUDJEODVLMZTAB-GFCCVEGCSA-N 1 0 381.235 1.194 20 0 GDADRO CCOc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000556578377 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390.933 1.731 20 0 GDADRO CC(C)COC[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000566130280 650829491 /nfs/dbraw/zinc/82/94/91/650829491.db2.gz OGEBQZXCFKGWET-GFCCVEGCSA-N 1 0 399.340 1.895 20 0 GDADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000566210697 650835034 /nfs/dbraw/zinc/83/50/34/650835034.db2.gz DDJBTAJQZUAKEB-CYBMUJFWSA-N 1 0 386.543 1.014 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(F)F ZINC000566213825 650835341 /nfs/dbraw/zinc/83/53/41/650835341.db2.gz JRXLJQXNHMCJMM-GXTWGEPZSA-N 1 0 375.441 1.186 20 0 GDADRO O[C@H](CNC[C@H](O)C[NH+]1CCCC1)COc1cc(F)cc(Br)c1 ZINC000566232957 650836632 /nfs/dbraw/zinc/83/66/32/650836632.db2.gz FNUWWIJLYDXQCZ-LSDHHAIUSA-N 1 0 391.281 1.374 20 0 GDADRO O=C(NC1C[NH2+]C1)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000566551842 650854864 /nfs/dbraw/zinc/85/48/64/650854864.db2.gz BJCIXITXGJSGFO-CYBMUJFWSA-N 1 0 376.215 1.120 20 0 GDADRO COc1nc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)ncc1Br ZINC000566602113 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C[C@H](C[NH2+]CCOc1ccc(I)cc1)S(C)(=O)=O ZINC000567105154 650885332 /nfs/dbraw/zinc/88/53/32/650885332.db2.gz XLNMEYKSHDBSTD-SNVBAGLBSA-N 1 0 383.251 1.693 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000567121113 650886827 /nfs/dbraw/zinc/88/68/27/650886827.db2.gz ZDWXBOCCNULELY-LBPRGKRZSA-N 1 0 378.300 1.803 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@@](C)(CO)c1ccc(Br)cc1 ZINC000567156376 650889128 /nfs/dbraw/zinc/88/91/28/650889128.db2.gz SECUIVLCJHXIQZ-HNNXBMFYSA-N 1 0 393.347 1.918 20 0 GDADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000567262314 650896726 /nfs/dbraw/zinc/89/67/26/650896726.db2.gz KLUOVGDKVIOXHQ-CABZTGNLSA-N 1 0 384.267 1.351 20 0 GDADRO O=C(NCc1cc(F)ccc1Br)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567250032 650895700 /nfs/dbraw/zinc/89/57/00/650895700.db2.gz OHEKKFULFNGUFD-KRWDZBQOSA-N 1 0 398.276 1.807 20 0 GDADRO C[NH2+]C1CCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000567271814 650897185 /nfs/dbraw/zinc/89/71/85/650897185.db2.gz 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[NH3+]CC[C@@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)C(F)(F)F ZINC000567673998 650914301 /nfs/dbraw/zinc/91/43/01/650914301.db2.gz XTFTWQORFGQOML-SECBINFHSA-N 1 0 380.417 1.385 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000567710604 650916099 /nfs/dbraw/zinc/91/60/99/650916099.db2.gz NRSMCVPEHHXDKJ-SUMWQHHRSA-N 1 0 390.933 1.650 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)COc1ccc(I)cc1)C(F)F ZINC000567849389 650924052 /nfs/dbraw/zinc/92/40/52/650924052.db2.gz XBEQTFFFLVELQD-SNVBAGLBSA-N 1 0 384.164 1.769 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H]([NH3+])CC)c(Br)c1 ZINC000567861711 650924850 /nfs/dbraw/zinc/92/48/50/650924850.db2.gz QTFNAPHPIYIZRX-JTQLQIEISA-N 1 0 379.276 1.641 20 0 GDADRO C[NH+]1CCC(NC(=S)NNC(=S)NCCc2ccc(Cl)cc2)CC1 ZINC000063144077 644519601 /nfs/dbraw/zinc/51/96/01/644519601.db2.gz QGXYBRLNHXACHX-UHFFFAOYSA-N 1 0 385.990 1.820 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN2CCC(C)CC2)cc1 ZINC000567915968 650929260 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COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCC([NH3+])CC2)c1 ZINC000122323451 644687011 /nfs/dbraw/zinc/68/70/11/644687011.db2.gz YOCDQKFDJNWEIJ-UHFFFAOYSA-N 1 0 377.260 1.348 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(Br)o1 ZINC000124378864 644707402 /nfs/dbraw/zinc/70/74/02/644707402.db2.gz CUBDMRPPOKUXMB-BDAKNGLRSA-N 1 0 395.275 1.577 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2nc(Cl)ccc2Cl)cn1 ZINC000150926394 644777353 /nfs/dbraw/zinc/77/73/53/644777353.db2.gz WZBLVKJNYWUIAO-UHFFFAOYSA-N 1 0 385.255 1.515 20 0 GDADRO [NH3+]CCCCCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000154235686 644802280 /nfs/dbraw/zinc/80/22/80/644802280.db2.gz JGBIAZGOXKQYCL-UHFFFAOYSA-N 1 0 375.441 1.317 20 0 GDADRO [NH3+]CCCCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000154297319 644803069 /nfs/dbraw/zinc/80/30/69/644803069.db2.gz QQOTYGYGXAKAOI-UHFFFAOYSA-N 1 0 375.441 1.317 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000158851625 644838648 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CC(C)(C)[NH2+]CCNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000174250782 644898773 /nfs/dbraw/zinc/89/87/73/644898773.db2.gz GPWJEVRDDWNJNI-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1F ZINC000177720247 644920940 /nfs/dbraw/zinc/92/09/40/644920940.db2.gz WATCLMCOJMXKEC-QWRGUYRKSA-N 1 0 376.425 1.855 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(SC[C@@H](O)C[N@H+](C)C(C)C)nc1 ZINC000568770018 650969796 /nfs/dbraw/zinc/96/97/96/650969796.db2.gz NGULPUFMXQLLPQ-AWEZNQCLSA-N 1 0 375.560 1.905 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000181371556 644954659 /nfs/dbraw/zinc/95/46/59/644954659.db2.gz DKWGOCFBGYSUQV-GFCCVEGCSA-N 1 0 399.289 1.256 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c(Cl)s1 ZINC000183180168 644967897 /nfs/dbraw/zinc/96/78/97/644967897.db2.gz OJKIGZRHEGINEE-RKDXNWHRSA-N 1 0 386.948 1.601 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000568807401 650971777 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COc1cc(NC(=O)CC[NH2+][C@@H]2CCS(=O)(=O)C2)c(OC)cc1Cl ZINC000242964324 645090698 /nfs/dbraw/zinc/09/06/98/645090698.db2.gz HKSAMTMLGGMNKK-SNVBAGLBSA-N 1 0 376.862 1.463 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)NCCn2cc(Br)ccc2=O)C[N@@H+]1C1CC1 ZINC000568960918 650978369 /nfs/dbraw/zinc/97/83/69/650978369.db2.gz FGBFRPPULXGBDS-DGCLKSJQSA-N 1 0 383.290 1.535 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[S@@](=O)C(C)(C)C)[C@@H](C)C1 ZINC000247246612 645097548 /nfs/dbraw/zinc/09/75/48/645097548.db2.gz XKAJUAYHEOVIQW-DUOCMMSMSA-N 1 0 375.579 1.970 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000255505443 645110534 /nfs/dbraw/zinc/11/05/34/645110534.db2.gz AGAGLEVRAQSBTF-DANTVBBOSA-N 1 0 377.304 1.652 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000261689725 645115613 /nfs/dbraw/zinc/11/56/13/645115613.db2.gz IJHYOEBAMLQIJB-RNCFNFMXSA-N 1 0 387.267 1.923 20 0 GDADRO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000261719132 645116310 /nfs/dbraw/zinc/11/63/10/645116310.db2.gz KPTOAIBKKMCVPE-SECBINFHSA-N 1 0 391.280 1.426 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000262116545 645123711 /nfs/dbraw/zinc/12/37/11/645123711.db2.gz INDBZFYEKXDQHD-RISCZKNCSA-N 1 0 393.506 1.383 20 0 GDADRO CSC1(CNC(=O)c2nc3ncc(Br)cn3n2)CC[NH+](C)CC1 ZINC000569042765 650981866 /nfs/dbraw/zinc/98/18/66/650981866.db2.gz DIWTXZGVXYJEAG-UHFFFAOYSA-N 1 0 399.318 1.444 20 0 GDADRO [NH3+]C1CCC(NS(=O)(=O)c2cccc(I)c2)CC1 ZINC000262736048 645136500 /nfs/dbraw/zinc/13/65/00/645136500.db2.gz GSVLNACUUBWXTD-UHFFFAOYSA-N 1 0 380.251 1.839 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C[C@@H]1[NH+](C)C ZINC000273673834 645169435 /nfs/dbraw/zinc/16/94/35/645169435.db2.gz JMKPYPMPSSCVCS-GJZGRUSLSA-N 1 0 386.543 1.460 20 0 GDADRO Cc1nc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(Br)n1C ZINC000319281345 645250963 /nfs/dbraw/zinc/25/09/63/645250963.db2.gz FMCRWKHZPUDHBM-LBPRGKRZSA-N 1 0 391.335 1.740 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c(OC)cc1Br ZINC000569350846 650995903 /nfs/dbraw/zinc/99/59/03/650995903.db2.gz UQAFQXVGYVBAQL-VHSXEESVSA-N 1 0 393.303 1.967 20 0 GDADRO O=S1(=O)CCC(O)(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC000329442623 645313128 /nfs/dbraw/zinc/31/31/28/645313128.db2.gz NHRWBQGWBCHQRG-UHFFFAOYSA-N 1 0 381.420 1.479 20 0 GDADRO O=S(=O)(NC1CC[NH+](C2CCCCC2)CC1)C1CCS(=O)(=O)CC1 ZINC000329987984 645337770 /nfs/dbraw/zinc/33/77/70/645337770.db2.gz GRUVYUWHKBAIDU-UHFFFAOYSA-N 1 0 378.560 1.280 20 0 GDADRO CN1CCN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)[C@@H](C[NH3+])C1 ZINC000569559797 651003649 /nfs/dbraw/zinc/00/36/49/651003649.db2.gz HTKRKDCVYKAYAH-HZMBPMFUSA-N 1 0 385.295 1.198 20 0 GDADRO O=S(=O)(NCCCCN1CC[NH+](CCO)CC1)c1cc(Cl)ccc1F ZINC000569632333 651008163 /nfs/dbraw/zinc/00/81/63/651008163.db2.gz HSYCKUOOGJEOCE-UHFFFAOYSA-N 1 0 393.912 1.148 20 0 GDADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 ZINC000330611185 645382707 /nfs/dbraw/zinc/38/27/07/645382707.db2.gz PNUXPMSRMUIVAF-LBPRGKRZSA-N 1 0 393.506 1.207 20 0 GDADRO CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000330969880 645445200 /nfs/dbraw/zinc/44/52/00/645445200.db2.gz BAJJOULZRXLEDM-MRXNPFEDSA-N 1 0 385.555 1.679 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(C)(C)C[NH+](C)C ZINC000330986719 645448035 /nfs/dbraw/zinc/44/80/35/645448035.db2.gz LNWUCJSAKNAOIT-CYBMUJFWSA-N 1 0 391.559 1.192 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])cc1I ZINC000569724255 651012599 /nfs/dbraw/zinc/01/25/99/651012599.db2.gz UQXSRWZQPZRPDF-SNVBAGLBSA-N 1 0 380.251 1.711 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)CCn2cc(Br)ccc2=O)CCSC1 ZINC000331082073 645462160 /nfs/dbraw/zinc/46/21/60/645462160.db2.gz AUJOJVJEJYILIY-OAHLLOKOSA-N 1 0 388.331 1.554 20 0 GDADRO CC(C)[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000331143165 645470160 /nfs/dbraw/zinc/47/01/60/645470160.db2.gz MVFZKYBAKUORMK-OAHLLOKOSA-N 1 0 382.302 1.978 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000331161458 645472590 /nfs/dbraw/zinc/47/25/90/645472590.db2.gz FKRZRESIPSLSFZ-KGLIPLIRSA-N 1 0 377.869 1.868 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000331180862 645476580 /nfs/dbraw/zinc/47/65/80/645476580.db2.gz LMRLZDGISLYHON-VQISRLSMSA-N 1 0 375.441 1.742 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc(F)c1I ZINC000569913046 651016626 /nfs/dbraw/zinc/01/66/26/651016626.db2.gz QPBLXSPYDIWCGK-AWEZNQCLSA-N 1 0 394.228 1.863 20 0 GDADRO CC[NH+](CC)CC[C@H](CO)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000569940312 651018350 /nfs/dbraw/zinc/01/83/50/651018350.db2.gz ITEPCEMNMTUCQQ-CYBMUJFWSA-N 1 0 390.311 1.932 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2cccc(SC)c2)CC1 ZINC000570058353 651024764 /nfs/dbraw/zinc/02/47/64/651024764.db2.gz RPFNVAKPEIWRNE-UHFFFAOYSA-N 1 0 385.555 1.677 20 0 GDADRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)nnn1-c1cccc(Br)c1 ZINC000366460478 645588288 /nfs/dbraw/zinc/58/82/88/645588288.db2.gz INUFPAPYHCTXIH-SMDDNHRTSA-N 1 0 376.258 1.772 20 0 GDADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@H]2COC(=O)N2)CC1 ZINC000368188476 645611166 /nfs/dbraw/zinc/61/11/66/645611166.db2.gz YCFRAJOFRQKBAS-OAHLLOKOSA-N 1 0 396.285 1.980 20 0 GDADRO O=C(C(=O)N1CCc2cc(Br)cc(F)c21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000570183709 651028610 /nfs/dbraw/zinc/02/86/10/651028610.db2.gz NHJFCYNBPSKLRX-QGZVFWFLSA-N 1 0 396.260 1.689 20 0 GDADRO O=C(C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)NCC1CC1 ZINC000570202104 651029699 /nfs/dbraw/zinc/02/96/99/651029699.db2.gz CDHAEYPJSKWPTA-CYBMUJFWSA-N 1 0 375.238 1.444 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000369538053 645646741 /nfs/dbraw/zinc/64/67/41/645646741.db2.gz XMTZHFYYLJTUAG-LLVKDONJSA-N 1 0 376.404 1.716 20 0 GDADRO COc1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)nc1Br ZINC000370335526 645684114 /nfs/dbraw/zinc/68/41/14/645684114.db2.gz UENDEGQSOWFTRY-LBPRGKRZSA-N 1 0 384.274 1.836 20 0 GDADRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000570293909 651034563 /nfs/dbraw/zinc/03/45/63/651034563.db2.gz OZIPDSMJXKZWTQ-OAHLLOKOSA-N 1 0 388.555 1.630 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000570332686 651035747 /nfs/dbraw/zinc/03/57/47/651035747.db2.gz PGPJZGCYPWOYLH-RISCZKNCSA-N 1 0 389.315 1.857 20 0 GDADRO O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]1c1ccccc1I ZINC000370770151 645703196 /nfs/dbraw/zinc/70/31/96/645703196.db2.gz CEVIXJMUZSZEJL-KBPBESRZSA-N 1 0 386.233 1.943 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000370832107 645708033 /nfs/dbraw/zinc/70/80/33/645708033.db2.gz XFCGZUSWRSGQFM-UHFFFAOYSA-N 1 0 375.535 1.647 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CC12CCSCC2 ZINC000570562091 651044499 /nfs/dbraw/zinc/04/44/99/651044499.db2.gz PEOAVGDZPADEDS-STQMWFEESA-N 1 0 380.480 1.655 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000570562427 651044601 /nfs/dbraw/zinc/04/46/01/651044601.db2.gz JPTJAPAKOKHEFJ-ZMLRMANQSA-N 1 0 386.315 1.665 20 0 GDADRO [NH3+]CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(F)F ZINC000570682148 651050659 /nfs/dbraw/zinc/05/06/59/651050659.db2.gz VKMUNIUEICPGGU-AWEZNQCLSA-N 1 0 375.441 1.186 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000415418942 645893103 /nfs/dbraw/zinc/89/31/03/645893103.db2.gz PGYGCBQIPPZPDN-SECBINFHSA-N 1 0 375.210 1.344 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c1 ZINC000415514220 645895787 /nfs/dbraw/zinc/89/57/87/645895787.db2.gz YZRHRAINZKXLON-VIFPVBQESA-N 1 0 375.210 1.249 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1Br ZINC000415538313 645897900 /nfs/dbraw/zinc/89/79/00/645897900.db2.gz JGNKPVIVVUSLLK-AWEZNQCLSA-N 1 0 383.290 1.303 20 0 GDADRO O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)N[C@H]1CCC[NH2+]C1 ZINC000417724489 645906392 /nfs/dbraw/zinc/90/63/92/645906392.db2.gz ICQJSZCWHMQSIH-LBPRGKRZSA-N 1 0 379.262 1.785 20 0 GDADRO O=C(C(=O)N1CCc2cc(Br)cc(F)c2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000570792733 651055807 /nfs/dbraw/zinc/05/58/07/651055807.db2.gz NPTDQJBKESWPNR-TXEJJXNPSA-N 1 0 396.260 1.151 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000417735076 645907108 /nfs/dbraw/zinc/90/71/08/645907108.db2.gz KTLLPYSFNUHIKS-JTQLQIEISA-N 1 0 382.770 1.502 20 0 GDADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@@H]1C[NH2+]CCO1 ZINC000417736447 645907284 /nfs/dbraw/zinc/90/72/84/645907284.db2.gz MQRARLOVVHYMRE-JTQLQIEISA-N 1 0 382.770 1.420 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)c1 ZINC000419070228 645910947 /nfs/dbraw/zinc/91/09/47/645910947.db2.gz OLDNHCHNMFRMDU-BXUZGUMPSA-N 1 0 398.301 1.603 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000419072255 645911578 /nfs/dbraw/zinc/91/15/78/645911578.db2.gz QLMPOMGGFASOAZ-OCCSQVGLSA-N 1 0 382.302 1.817 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419193854 645914563 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COc1ccc(CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1Br ZINC000419444675 645918267 /nfs/dbraw/zinc/91/82/67/645918267.db2.gz QRWIPWMTKNJOSO-QGZVFWFLSA-N 1 0 396.285 1.428 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419462672 645919342 /nfs/dbraw/zinc/91/93/42/645919342.db2.gz NKXNYUGLNCZPRS-GFCCVEGCSA-N 1 0 380.286 1.417 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000419503749 645921449 /nfs/dbraw/zinc/92/14/49/645921449.db2.gz DYLPIYKSYODVBC-UHFFFAOYSA-N 1 0 398.301 1.079 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])Oc1cccc(Br)c1 ZINC000419607959 645925038 /nfs/dbraw/zinc/92/50/38/645925038.db2.gz HMBNMKCYTYNMFS-DGCLKSJQSA-N 1 0 384.274 1.282 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000419644585 645926366 /nfs/dbraw/zinc/92/63/66/645926366.db2.gz XNOROODSZKTTPE-BXUZGUMPSA-N 1 0 386.290 1.367 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000419645384 645926398 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398.301 1.612 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423007842 646107972 /nfs/dbraw/zinc/10/79/72/646107972.db2.gz YQJUURXELSIYQW-LBPRGKRZSA-N 1 0 384.274 1.094 20 0 GDADRO O=S(=O)(C[C@H](O)CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccs1 ZINC000423003256 646108054 /nfs/dbraw/zinc/10/80/54/646108054.db2.gz LHFJLHCIFBTMGI-BRWVUGGUSA-N 1 0 380.535 1.966 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000916909334 660203290 /nfs/dbraw/zinc/20/32/90/660203290.db2.gz ZEMVFNZYGDTCRM-UHFFFAOYSA-N 1 0 388.291 1.171 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000423021875 646109473 /nfs/dbraw/zinc/10/94/73/646109473.db2.gz GKALZYHLAWQYLX-STQMWFEESA-N 1 0 384.933 1.241 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000423075176 646111483 /nfs/dbraw/zinc/11/14/83/646111483.db2.gz NZNVWRDQNFOCIA-VNQPRFMTSA-N 1 0 385.302 1.483 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)NC2CC([NH+](C)C)C2)s1 ZINC000916929014 660203577 /nfs/dbraw/zinc/20/35/77/660203577.db2.gz ASNCIMAHHPNENU-UHFFFAOYSA-N 1 0 397.316 1.668 20 0 GDADRO COC[C@]1(C(=O)NCCc2ccc(I)s2)CC[NH2+]C1 ZINC000423129533 646115723 /nfs/dbraw/zinc/11/57/23/646115723.db2.gz FEJWSWCYYVLBDY-ZDUSSCGKSA-N 1 0 394.278 1.638 20 0 GDADRO COC[C@]1(C(=O)NCCCNC(=O)c2cccc(Br)c2)CC[NH2+]C1 ZINC000423124048 646115908 /nfs/dbraw/zinc/11/59/08/646115908.db2.gz LVRCJJWFMLXALV-KRWDZBQOSA-N 1 0 398.301 1.311 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000423160837 646117197 /nfs/dbraw/zinc/11/71/97/646117197.db2.gz NCFMRIUERAUAOM-BHYGNILZSA-N 1 0 399.329 1.792 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C[C@H]1[NH3+] ZINC000423176354 646117965 /nfs/dbraw/zinc/11/79/65/646117965.db2.gz GXVDROGFHZDCKS-IAQYHMDHSA-N 1 0 388.295 1.510 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000423180794 646118472 /nfs/dbraw/zinc/11/84/72/646118472.db2.gz OBYYIRDQTWTEDH-CYBMUJFWSA-N 1 0 388.295 1.525 20 0 GDADRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2c(Br)cccc2C1 ZINC000423231812 646119317 /nfs/dbraw/zinc/11/93/17/646119317.db2.gz MBIVRVRKKINSLU-GXTWGEPZSA-N 1 0 392.297 1.402 20 0 GDADRO C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)Oc1ccccc1Br ZINC000423237664 646120661 /nfs/dbraw/zinc/12/06/61/646120661.db2.gz DKSWKHKNUBIOKA-LBPRGKRZSA-N 1 0 396.289 1.977 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423239680 646121449 /nfs/dbraw/zinc/12/14/49/646121449.db2.gz WHKBJLKWUXXNOT-ZDUSSCGKSA-N 1 0 386.265 1.886 20 0 GDADRO COCC[NH2+]CCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423341339 646123118 /nfs/dbraw/zinc/12/31/18/646123118.db2.gz UEKQSXBOPZIXNJ-ZDUSSCGKSA-N 1 0 377.304 1.493 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CCO1 ZINC000423355185 646123129 /nfs/dbraw/zinc/12/31/29/646123129.db2.gz DXWWTMHDBNKZTF-HUUCEWRRSA-N 1 0 383.901 1.143 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)C1 ZINC000423364312 646124018 /nfs/dbraw/zinc/12/40/18/646124018.db2.gz BBZWBACOOPOKQN-OAHLLOKOSA-N 1 0 394.313 1.759 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000423514357 646125995 /nfs/dbraw/zinc/12/59/95/646125995.db2.gz RZCFETYXZAWLDK-UHFFFAOYSA-N 1 0 394.313 1.792 20 0 GDADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423529411 646128337 /nfs/dbraw/zinc/12/83/37/646128337.db2.gz VKFLEUXLKFQGAP-DOMZBBRYSA-N 1 0 396.285 1.169 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423540211 646129135 /nfs/dbraw/zinc/12/91/35/646129135.db2.gz QBSLODNNZDWJBJ-WCQYABFASA-N 1 0 386.279 1.923 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423565475 646130851 /nfs/dbraw/zinc/13/08/51/646130851.db2.gz BMHXTKCHOFHQAT-WFASDCNBSA-N 1 0 398.276 1.757 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423568225 646130908 /nfs/dbraw/zinc/13/09/08/646130908.db2.gz WRSDNLSEFOLQIC-KZULUSFZSA-N 1 0 394.313 1.920 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC([NH+](C)C)C2)cc1 ZINC000916944118 660203813 /nfs/dbraw/zinc/20/38/13/660203813.db2.gz UMLGKOWWRWYCQO-UHFFFAOYSA-N 1 0 389.543 1.599 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000423580495 646133363 /nfs/dbraw/zinc/13/33/63/646133363.db2.gz RYDNKBDVEZNJKP-CQSZACIVSA-N 1 0 398.301 1.799 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000423589493 646134553 /nfs/dbraw/zinc/13/45/53/646134553.db2.gz ICCWBLULNCIJNM-ZFWWWQNUSA-N 1 0 395.301 1.718 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000423594382 646135232 /nfs/dbraw/zinc/13/52/32/646135232.db2.gz OCRNTCRIERQXJQ-SWLSCSKDSA-N 1 0 395.301 1.576 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C[C@H]1[NH3+] ZINC000423600503 646135780 /nfs/dbraw/zinc/13/57/80/646135780.db2.gz YOWNHPRZQPJBRI-QKCSRTOESA-N 1 0 381.274 1.313 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000423607953 646136382 /nfs/dbraw/zinc/13/63/82/646136382.db2.gz NATFGJHEVNSFFD-ZDUSSCGKSA-N 1 0 384.933 1.386 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)C1 ZINC000423611038 646136512 /nfs/dbraw/zinc/13/65/12/646136512.db2.gz MNIZUKFALLXGHE-DZGCQCFKSA-N 1 0 380.286 1.400 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)C1 ZINC000423611043 646137175 /nfs/dbraw/zinc/13/71/75/646137175.db2.gz MNIZUKFALLXGHE-UKRRQHHQSA-N 1 0 380.286 1.400 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423624250 646138608 /nfs/dbraw/zinc/13/86/08/646138608.db2.gz PKFOCMMHNWJQIG-GFCCVEGCSA-N 1 0 386.265 1.886 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)[C@@H](C)C[NH2+]1 ZINC000423627446 646139162 /nfs/dbraw/zinc/13/91/62/646139162.db2.gz IDXBBRPJXZMXMY-IUCAKERBSA-N 1 0 375.313 1.539 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000423653118 646139234 /nfs/dbraw/zinc/13/92/34/646139234.db2.gz OKQYOUHCRNJLDZ-RYUDHWBXSA-N 1 0 398.301 1.625 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000423676716 646141966 /nfs/dbraw/zinc/14/19/66/646141966.db2.gz QZMCMKFNKQNGHZ-STQMWFEESA-N 1 0 398.301 1.482 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)C2)s1 ZINC000423946011 646145255 /nfs/dbraw/zinc/14/52/55/646145255.db2.gz BNKUWDAOMOZQIN-UONOGXRCSA-N 1 0 387.571 1.947 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423975419 646148342 /nfs/dbraw/zinc/14/83/42/646148342.db2.gz LVLYPSJITKLTJN-CWRNSKLLSA-N 1 0 385.555 1.343 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423990835 646149562 /nfs/dbraw/zinc/14/95/62/646149562.db2.gz CZUKHNIVKSDVIY-AWEZNQCLSA-N 1 0 379.258 1.661 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCCO1 ZINC000424026164 646154562 /nfs/dbraw/zinc/15/45/62/646154562.db2.gz UDBSTIBJHFHMNV-QWHCGFSZSA-N 1 0 386.279 1.923 20 0 GDADRO C[C@@H](C(=O)NC(C)(C)CC[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000424047559 646156085 /nfs/dbraw/zinc/15/60/85/646156085.db2.gz OGLNTQBVDZBBJD-VIFPVBQESA-N 1 0 382.258 1.677 20 0 GDADRO C[C@@H]1C[C@H](C)N(C(=O)CN(C)C(=O)c2ccc(Br)o2)C[C@H]1C[NH3+] ZINC000424064869 646158287 /nfs/dbraw/zinc/15/82/87/646158287.db2.gz DQUXTIKEHHKGKW-GRYCIOLGSA-N 1 0 386.290 1.946 20 0 GDADRO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000424316561 646173764 /nfs/dbraw/zinc/17/37/64/646173764.db2.gz NCSGJXSRQGIFSX-OLZOCXBDSA-N 1 0 387.889 1.436 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000424336797 646173800 /nfs/dbraw/zinc/17/38/00/646173800.db2.gz RAQKSNCCLXUNIL-FVQBIDKESA-N 1 0 385.555 1.123 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000442600875 646273092 /nfs/dbraw/zinc/27/30/92/646273092.db2.gz RPMZQRHHVOKKRR-GFCCVEGCSA-N 1 0 375.441 1.221 20 0 GDADRO Cc1ccc2sc(CNS(=O)(=O)CCCN3CC[NH+](C)CC3)nc2c1 ZINC000918107951 660229005 /nfs/dbraw/zinc/22/90/05/660229005.db2.gz PAGPMOPKYFBYBM-UHFFFAOYSA-N 1 0 382.555 1.662 20 0 GDADRO C[NH+]1CCN(CC2CN(S(=O)(=O)C3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000917899056 660224113 /nfs/dbraw/zinc/22/41/13/660224113.db2.gz QFBCCLWEOVSHCK-UHFFFAOYSA-N 1 0 383.480 1.617 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000900476526 659112923 /nfs/dbraw/zinc/11/29/23/659112923.db2.gz PXMOKGCAGQZTMB-QGZVFWFLSA-N 1 0 398.301 1.142 20 0 GDADRO CNS(=O)(=O)CCCSCC[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000918737184 660240287 /nfs/dbraw/zinc/24/02/87/660240287.db2.gz DOKHPTYZAKBIFL-UHFFFAOYSA-N 1 0 387.571 1.490 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000918948322 660243484 /nfs/dbraw/zinc/24/34/84/660243484.db2.gz ZTPWTTIVQLTIJY-CQSZACIVSA-N 1 0 395.294 1.665 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000443009962 647169589 /nfs/dbraw/zinc/16/95/89/647169589.db2.gz CJJLIOZGDIBVCA-ZDUSSCGKSA-N 1 0 383.495 1.381 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000443223168 647189836 /nfs/dbraw/zinc/18/98/36/647189836.db2.gz JXZUNBQFZUPWHH-LLVKDONJSA-N 1 0 384.893 1.673 20 0 GDADRO C[C@H](O)C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H](C)CO ZINC000443332917 647201001 /nfs/dbraw/zinc/20/10/01/647201001.db2.gz OKZOOMNUDBUWLT-MJVIPROJSA-N 1 0 380.254 1.392 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CCSC1 ZINC000443918794 647228831 /nfs/dbraw/zinc/22/88/31/647228831.db2.gz MCSGCKKCSLWKNA-AWEZNQCLSA-N 1 0 376.479 1.032 20 0 GDADRO CSc1ccccc1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000444072844 647238936 /nfs/dbraw/zinc/23/89/36/647238936.db2.gz ITSIOOWUIOKDCK-UHFFFAOYSA-N 1 0 387.571 1.077 20 0 GDADRO COc1nc(NC2CC[NH+](CCC(=O)N(C)C)CC2)ncc1Br ZINC000444080645 647240249 /nfs/dbraw/zinc/24/02/49/647240249.db2.gz AWMRQBORGQWFDV-UHFFFAOYSA-N 1 0 386.294 1.602 20 0 GDADRO O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NCC[C@H]1CCC[NH2+]1 ZINC000444269836 647247624 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GPKKFPBCUDXOGH-ZIAGYGMSSA-N 1 0 389.543 1.265 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000445553479 647269824 /nfs/dbraw/zinc/26/98/24/647269824.db2.gz MHAHVIPMMFCFQT-UONOGXRCSA-N 1 0 387.527 1.019 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)ncc1Br ZINC000446449332 647288993 /nfs/dbraw/zinc/28/89/93/647288993.db2.gz SZBIJBHZOMJXFZ-UHFFFAOYSA-N 1 0 383.290 1.891 20 0 GDADRO COc1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)sc1S(N)(=O)=O ZINC000446922306 647297643 /nfs/dbraw/zinc/29/76/43/647297643.db2.gz LQZLXMZMLULJMG-PHIMTYICSA-N 1 0 375.516 1.397 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)s1 ZINC000452088089 647313291 /nfs/dbraw/zinc/31/32/91/647313291.db2.gz RLLYSIGVEZFCQG-UHFFFAOYSA-N 1 0 376.500 1.696 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000453807040 647338097 /nfs/dbraw/zinc/33/80/97/647338097.db2.gz OIXKVDIJJPFRLB-JTQLQIEISA-N 1 0 375.803 1.520 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(C4CC4)n3)C[C@@H]21 ZINC000453914650 647345359 /nfs/dbraw/zinc/34/53/59/647345359.db2.gz IVTIIWPJYBVGGQ-YPMHNXCESA-N 1 0 393.285 1.823 20 0 GDADRO C[C@@H]1[C@H](NC(=O)NCc2nn(C)cc2I)CCC[N@@H+]1C ZINC000454772692 647361171 /nfs/dbraw/zinc/36/11/71/647361171.db2.gz CPJGKBAEWOMUHA-MWLCHTKSSA-N 1 0 391.257 1.307 20 0 GDADRO C[C@@H](CNC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)[NH+](C)C ZINC000455437131 647379355 /nfs/dbraw/zinc/37/93/55/647379355.db2.gz VSSQTPFPBNHVDP-JTQLQIEISA-N 1 0 380.440 1.729 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000455836110 647389890 /nfs/dbraw/zinc/38/98/90/647389890.db2.gz CUYWYXMMGNCTEK-NSHDSACASA-N 1 0 381.278 2.488 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NC(C)(C)CNS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000921175238 660283357 /nfs/dbraw/zinc/28/33/57/660283357.db2.gz VXFJVRADBOHHTG-CQSZACIVSA-N 1 0 390.937 1.570 20 0 GDADRO C[NH+](C)CC(C)(C)NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000457211103 647415794 /nfs/dbraw/zinc/41/57/94/647415794.db2.gz QPTFQIKUTDMCAP-UHFFFAOYSA-N 1 0 384.274 1.631 20 0 GDADRO C[N@@H+]1CCC[C@@H](CCNC(=O)CSCc2cc(=O)n3ccsc3n2)C1 ZINC000458169499 647435890 /nfs/dbraw/zinc/43/58/90/647435890.db2.gz OMDCFMBXGXIYBO-ZDUSSCGKSA-N 1 0 380.539 1.837 20 0 GDADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459696572 647464553 /nfs/dbraw/zinc/46/45/53/647464553.db2.gz LOUKQAPTRXKDPK-BXUZGUMPSA-N 1 0 382.262 1.408 20 0 GDADRO O[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)Cn1ccnn1 ZINC000459710958 647465278 /nfs/dbraw/zinc/46/52/78/647465278.db2.gz ZXORLHGSISFPKU-SNVBAGLBSA-N 1 0 377.189 1.793 20 0 GDADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000460681450 647471417 /nfs/dbraw/zinc/47/14/17/647471417.db2.gz XADLZLWUNCFTDE-CQSZACIVSA-N 1 0 376.567 1.607 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462110045 647510396 /nfs/dbraw/zinc/51/03/96/647510396.db2.gz SFWQIXNOLNIXAX-UHFFFAOYSA-N 1 0 390.449 1.328 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000462266207 647518206 /nfs/dbraw/zinc/51/82/06/647518206.db2.gz DWCKIGVNQPDWHC-ZDUSSCGKSA-N 1 0 384.889 1.859 20 0 GDADRO CC[NH+](CC)CCCNC(=O)C1CCN(S(=O)(=O)CCC(C)C)CC1 ZINC000462541159 647530336 /nfs/dbraw/zinc/53/03/36/647530336.db2.gz ZHABORTVVGCLEZ-UHFFFAOYSA-N 1 0 375.579 1.922 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000462881909 647546443 /nfs/dbraw/zinc/54/64/43/647546443.db2.gz DLSHCTYSSVWOCR-AWEZNQCLSA-N 1 0 387.527 1.168 20 0 GDADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1Cl ZINC000463218390 647553236 /nfs/dbraw/zinc/55/32/36/647553236.db2.gz KENZYMFAHDXUGY-SNVBAGLBSA-N 1 0 375.803 1.717 20 0 GDADRO CC(C)[C@@H]1C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CCS1 ZINC000464772455 647588555 /nfs/dbraw/zinc/58/85/55/647588555.db2.gz MZUGZMSAAGQUEQ-HNNXBMFYSA-N 1 0 379.592 1.236 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)NCCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000465704830 647603012 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C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000573284453 651474558 /nfs/dbraw/zinc/47/45/58/651474558.db2.gz BMDPNPWXHCVAOY-UDZFHETQSA-N 1 0 391.693 1.956 20 0 GDADRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cc2c(cc1Br)OCO2 ZINC000573442134 651478423 /nfs/dbraw/zinc/47/84/23/651478423.db2.gz HJIUSDJHEYYRQR-OAHLLOKOSA-N 1 0 382.214 1.352 20 0 GDADRO CSC1(CNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC[NH+](C)CC1 ZINC000573472432 651479707 /nfs/dbraw/zinc/47/97/07/651479707.db2.gz UVYCPWOBNYTCHL-NSHDSACASA-N 1 0 382.452 1.276 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000573478943 651480518 /nfs/dbraw/zinc/48/05/18/651480518.db2.gz UBBYAXCZKJYXQG-LBPRGKRZSA-N 1 0 385.313 1.651 20 0 GDADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000573646804 651488158 /nfs/dbraw/zinc/48/81/58/651488158.db2.gz FCGGMVZREWBFFU-UHFFFAOYSA-N 1 0 387.933 1.951 20 0 GDADRO Cc1c(C(=O)N[C@H](C)CCC[NH3+])cc(Br)cc1S(N)(=O)=O ZINC000573723113 651492986 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GDADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCOc2ccc(Br)cc2)C[C@H](C)O1 ZINC000574393179 651537929 /nfs/dbraw/zinc/53/79/29/651537929.db2.gz QAHYUKNUJMMGPR-IJEWVQPXSA-N 1 0 387.318 1.888 20 0 GDADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000574501064 651547377 /nfs/dbraw/zinc/54/73/77/651547377.db2.gz NDMKMDHDWVNXQJ-SJORKVTESA-N 1 0 388.302 1.800 20 0 GDADRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000574631185 651553905 /nfs/dbraw/zinc/55/39/05/651553905.db2.gz DANPENVVNQCBFQ-HNNXBMFYSA-N 1 0 384.885 1.778 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000574694730 651561361 /nfs/dbraw/zinc/56/13/61/651561361.db2.gz RDQJJRBQBSUQHB-LBPRGKRZSA-N 1 0 397.317 1.738 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000574704465 651562334 /nfs/dbraw/zinc/56/23/34/651562334.db2.gz XBJOPOHWDNUCQF-NSHDSACASA-N 1 0 396.289 1.201 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCCOc3ccccc3Br)CCN2C1=O ZINC000574770813 651568081 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CNS(=O)(=O)C1CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000576006739 651617745 /nfs/dbraw/zinc/61/77/45/651617745.db2.gz OSOMRBHEXIINSR-ZDUSSCGKSA-N 1 0 380.432 1.622 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000576016672 651618585 /nfs/dbraw/zinc/61/85/85/651618585.db2.gz MVJXCISEBYIKLD-IRXDYDNUSA-N 1 0 386.539 1.775 20 0 GDADRO CSC1(CNC(=O)Cc2csc(N3CCCC3=O)n2)CC[NH+](C)CC1 ZINC000576036685 651620402 /nfs/dbraw/zinc/62/04/02/651620402.db2.gz MKSMXRCOZKTDJC-UHFFFAOYSA-N 1 0 382.555 1.756 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3cc(Br)c(F)cc3F)CCN2C1=O ZINC000576173705 651641483 /nfs/dbraw/zinc/64/14/83/651641483.db2.gz ZVPQHRPCYQFEAO-RDDDGLTNSA-N 1 0 389.200 1.503 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(F)c(Br)cc3F)C[C@@H]12 ZINC000576252187 651651360 /nfs/dbraw/zinc/65/13/60/651651360.db2.gz UUDZIYQMHHYBIK-JOAULVNJSA-N 1 0 388.212 1.862 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncc(Br)cc1S(N)(=O)=O ZINC000576610623 651676081 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O=C(c1ccc(Br)o1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577107435 651706948 /nfs/dbraw/zinc/70/69/48/651706948.db2.gz ZGWMTFPYUYTFSG-VXGBXAGGSA-N 1 0 397.273 1.402 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000577125005 651708513 /nfs/dbraw/zinc/70/85/13/651708513.db2.gz WDELIZJFLVJIPJ-AWEZNQCLSA-N 1 0 382.302 1.926 20 0 GDADRO CC[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000577164932 651712026 /nfs/dbraw/zinc/71/20/26/651712026.db2.gz QIPPUFNVLISNEW-UHFFFAOYSA-N 1 0 388.921 1.356 20 0 GDADRO C[NH+](C)[C@H]1CN(CCCOc2cccc(I)c2)C[C@@H]1O ZINC000577230452 651717399 /nfs/dbraw/zinc/71/73/99/651717399.db2.gz NRKGLMGXLNKIQH-GJZGRUSLSA-N 1 0 390.265 1.667 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000577228497 651717468 /nfs/dbraw/zinc/71/74/68/651717468.db2.gz VJBHQGOMMRZYPU-ZYHUDNBSSA-N 1 0 399.314 1.959 20 0 GDADRO O=S(=O)(NC[C@@H]1CCCO1)c1ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000577274970 651721361 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CCS(=O)(=O)N1CC(C[NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000577843006 651757158 /nfs/dbraw/zinc/75/71/58/651757158.db2.gz UWLAHMFJIUTJAM-HNNXBMFYSA-N 1 0 376.906 1.089 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCc1cc(Br)ccc1F ZINC000577844931 651757396 /nfs/dbraw/zinc/75/73/96/651757396.db2.gz IKMVCXLVJRQNQP-CQSZACIVSA-N 1 0 386.265 1.505 20 0 GDADRO CC[NH+](CC)CCN(C(=O)Cc1cnccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000577862553 651759289 /nfs/dbraw/zinc/75/92/89/651759289.db2.gz BEBSVNVISPHLPO-HNNXBMFYSA-N 1 0 387.933 1.635 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)[C@H](C[NH3+])C1 ZINC000578012708 651764984 /nfs/dbraw/zinc/76/49/84/651764984.db2.gz VPIOBHYMZWMTBO-NWDGAFQWSA-N 1 0 387.889 1.352 20 0 GDADRO O=C(Nc1nnc(C(F)(F)F)s1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000578664310 651806047 /nfs/dbraw/zinc/80/60/47/651806047.db2.gz JKDLASTWDKAUFD-SNVBAGLBSA-N 1 0 379.408 2.276 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000578859443 651819964 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GDADRO O=S1(=O)CCC(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000579582734 651869457 /nfs/dbraw/zinc/86/94/57/651869457.db2.gz LSTXBPFOJXCSBK-AWEZNQCLSA-N 1 0 392.315 1.603 20 0 GDADRO O=S1(=O)CCC(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000579582735 651869680 /nfs/dbraw/zinc/86/96/80/651869680.db2.gz LSTXBPFOJXCSBK-CQSZACIVSA-N 1 0 392.315 1.603 20 0 GDADRO C[C@@H](C(=O)NC1CC[NH2+]CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000579589424 651869711 /nfs/dbraw/zinc/86/97/11/651869711.db2.gz DDAQIQNYPQEUOA-VIFPVBQESA-N 1 0 380.242 1.302 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000579837735 651879590 /nfs/dbraw/zinc/87/95/90/651879590.db2.gz OEFUNIKMXWWPJN-UHFFFAOYSA-N 1 0 391.584 1.604 20 0 GDADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000579851229 651880472 /nfs/dbraw/zinc/88/04/72/651880472.db2.gz LKPSNPJXRJVKRT-IKGGRYGDSA-N 1 0 386.583 1.772 20 0 GDADRO CCCN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000579952867 651887867 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PNQGXSNVURUANV-CQSZACIVSA-N 1 0 397.317 1.835 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)NCc1cc(Br)ccc1C ZINC000627328559 653072470 /nfs/dbraw/zinc/07/24/70/653072470.db2.gz FXIWEVGHGJBLRN-UHFFFAOYSA-N 1 0 386.290 1.068 20 0 GDADRO Cc1nnc([C@H](C)NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000627348778 653073159 /nfs/dbraw/zinc/07/31/59/653073159.db2.gz SHOCZXFSTGXFMI-UJNFCWOMSA-N 1 0 379.408 1.009 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000627375513 653074147 /nfs/dbraw/zinc/07/41/47/653074147.db2.gz XJHFJWDHCRYQEI-TUKIKUTGSA-N 1 0 398.301 1.589 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000627421173 653075024 /nfs/dbraw/zinc/07/50/24/653075024.db2.gz CJAGONGTPXXKSJ-QWHCGFSZSA-N 1 0 388.693 1.975 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2cc(Cl)ccc2Br)C[NH2+]1 ZINC000627421838 653075183 /nfs/dbraw/zinc/07/51/83/653075183.db2.gz ULQHFCXGFMAWIL-JOYOIKCWSA-N 1 0 388.693 1.975 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000627500347 653076433 /nfs/dbraw/zinc/07/64/33/653076433.db2.gz YFAIAZGCWVCPDM-GLQYFDAESA-N 1 0 396.285 1.216 20 0 GDADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627508065 653076564 /nfs/dbraw/zinc/07/65/64/653076564.db2.gz XXCUSZFBUQFRFU-CORIIIEPSA-N 1 0 380.286 1.632 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CN3C(=O)COc4cc(Br)ccc43)C[C@H]21 ZINC000627647735 653077055 /nfs/dbraw/zinc/07/70/55/653077055.db2.gz LBUGPSSIOXJZDV-PBKGOJFUSA-N 1 0 394.269 1.193 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1cccc(Cl)c1Br ZINC000627982333 653083019 /nfs/dbraw/zinc/08/30/19/653083019.db2.gz FHEIBXOGJTYWMZ-SECBINFHSA-N 1 0 390.665 1.224 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)c(Br)c1 ZINC000628105121 653089586 /nfs/dbraw/zinc/08/95/86/653089586.db2.gz OLDSLVBWTTUTKS-LBPRGKRZSA-N 1 0 384.274 1.187 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000628105202 653089669 /nfs/dbraw/zinc/08/96/69/653089669.db2.gz QIUGDEAEOHIYSD-JTQLQIEISA-N 1 0 390.665 1.224 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000629173222 653135419 /nfs/dbraw/zinc/13/54/19/653135419.db2.gz JRVAKGJKEVZPNT-SJORKVTESA-N 1 0 396.329 1.769 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000629175475 653135777 /nfs/dbraw/zinc/13/57/77/653135777.db2.gz OTGQYCORIQDKFS-CHWSQXEVSA-N 1 0 386.279 1.529 20 0 GDADRO CCC1([NH+]2CCOCC2)CCN(C(=O)Cn2cc(Br)cn2)CC1 ZINC000629417432 653164465 /nfs/dbraw/zinc/16/44/65/653164465.db2.gz MMNPPWCCFSQGAB-UHFFFAOYSA-N 1 0 385.306 1.749 20 0 GDADRO CC[C@H](NCC1([NH3+])CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000629519605 653168263 /nfs/dbraw/zinc/16/82/63/653168263.db2.gz GTVJRNZFNIMAIJ-AWEZNQCLSA-N 1 0 375.922 1.797 20 0 GDADRO C[NH2+]CCOCCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000629531061 653168767 /nfs/dbraw/zinc/16/87/67/653168767.db2.gz YYDUOMXDHYXBPW-CYBMUJFWSA-N 1 0 377.304 1.493 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC[C@H](O)C[NH+]2CCCC2)s1 ZINC000629559847 653171779 /nfs/dbraw/zinc/17/17/79/653171779.db2.gz NZCKXUYTHHRHBN-HNNXBMFYSA-N 1 0 389.587 1.367 20 0 GDADRO CCN(CC[NH3+])[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000629557572 653171876 /nfs/dbraw/zinc/17/18/76/653171876.db2.gz RUOIZXIISKPIAU-NSHDSACASA-N 1 0 376.910 1.198 20 0 GDADRO Cc1cc(N2CC[C@@H](NC[C@H](O)C[NH+]3CCCC3)C2=O)ccc1Br ZINC000629576259 653175120 /nfs/dbraw/zinc/17/51/20/653175120.db2.gz WPAOUHDQEOTFRN-DOTOQJQBSA-N 1 0 396.329 1.909 20 0 GDADRO Cc1cc(N2CC[C@H](NC[C@@H](O)C[NH+]3CCCC3)C2=O)ccc1Br ZINC000629576262 653175161 /nfs/dbraw/zinc/17/51/61/653175161.db2.gz WPAOUHDQEOTFRN-WBVHZDCISA-N 1 0 396.329 1.909 20 0 GDADRO CN1CCOC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000629600076 653175924 /nfs/dbraw/zinc/17/59/24/653175924.db2.gz RESDCIHXSGSUNY-STQMWFEESA-N 1 0 393.709 1.762 20 0 GDADRO O=C1[C@H](NC[C@H](O)C[NH+]2CCCC2)CCN1c1cccc(Br)c1 ZINC000629578284 653176056 /nfs/dbraw/zinc/17/60/56/653176056.db2.gz ANNBVDOOKWPBFQ-JKSUJKDBSA-N 1 0 382.302 1.601 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COC1CCOCC1 ZINC000629594044 653176081 /nfs/dbraw/zinc/17/60/81/653176081.db2.gz ZJYSARNRSLUOQX-ZDUSSCGKSA-N 1 0 375.263 1.499 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000629913748 653192423 /nfs/dbraw/zinc/19/24/23/653192423.db2.gz JRVAKGJKEVZPNT-IRXDYDNUSA-N 1 0 396.329 1.769 20 0 GDADRO C[NH2+]C1(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)CCC1 ZINC000629999673 653195657 /nfs/dbraw/zinc/19/56/57/653195657.db2.gz RQXWFQWNIVZKCA-UHFFFAOYSA-N 1 0 379.258 1.417 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000630398551 653208337 /nfs/dbraw/zinc/20/83/37/653208337.db2.gz AXJRIOLFHFGPRX-KBPBESRZSA-N 1 0 388.559 1.322 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000630573625 653217377 /nfs/dbraw/zinc/21/73/77/653217377.db2.gz YTIXCZBIGNXLHU-UHFFFAOYSA-N 1 0 392.301 1.712 20 0 GDADRO O=C(COc1ccc(Br)cn1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000630946072 653227531 /nfs/dbraw/zinc/22/75/31/653227531.db2.gz REFCOOVIFOENSE-KGLIPLIRSA-N 1 0 384.274 1.281 20 0 GDADRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCO1 ZINC000631153186 653230419 /nfs/dbraw/zinc/23/04/19/653230419.db2.gz XWGHLOHTVAUFNC-IUODEOHRSA-N 1 0 384.889 1.731 20 0 GDADRO CCOc1c(Br)cc(C[NH2+]CCCS(=O)(=O)NC)cc1OC ZINC000631244626 653232406 /nfs/dbraw/zinc/23/24/06/653232406.db2.gz CSVCMFFZSXTARI-UHFFFAOYSA-N 1 0 395.319 1.885 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)COc2ccc(Br)cn2)CC1 ZINC000631283503 653233663 /nfs/dbraw/zinc/23/36/63/653233663.db2.gz GEOXZOILOIVSFO-UHFFFAOYSA-N 1 0 399.333 1.613 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000631676065 653242895 /nfs/dbraw/zinc/24/28/95/653242895.db2.gz RHIADYDQZHCTCA-UHFFFAOYSA-N 1 0 377.457 1.345 20 0 GDADRO C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631704326 653244891 /nfs/dbraw/zinc/24/48/91/653244891.db2.gz ZOWUHQIVZWOKQZ-AWEZNQCLSA-N 1 0 375.485 1.925 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCc2cccc(Br)c2)CC1 ZINC000631815401 653256921 /nfs/dbraw/zinc/25/69/21/653256921.db2.gz NQNISTBJUYGEFH-UHFFFAOYSA-N 1 0 390.347 1.506 20 0 GDADRO OCC[NH2+]C1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000631864785 653261823 /nfs/dbraw/zinc/26/18/23/653261823.db2.gz VOUPPNOROPZZKY-UHFFFAOYSA-N 1 0 395.301 1.969 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000631918164 653270312 /nfs/dbraw/zinc/27/03/12/653270312.db2.gz VVJRYQNKNPBHOO-MRXNPFEDSA-N 1 0 391.896 1.781 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCc2c1cccc2Br ZINC000631917848 653270352 /nfs/dbraw/zinc/27/03/52/653270352.db2.gz PRWHDGJHTUWNPD-QMTHXVAHSA-N 1 0 375.288 1.344 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC1(c2cccc(Br)c2)CC1 ZINC000631920270 653270736 /nfs/dbraw/zinc/27/07/36/653270736.db2.gz VVQLOKUIJAOCOJ-AWEZNQCLSA-N 1 0 389.315 1.389 20 0 GDADRO CCCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631920437 653270863 /nfs/dbraw/zinc/27/08/63/653270863.db2.gz ZKOIWGHASZQMID-OAHLLOKOSA-N 1 0 389.905 1.309 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000631923981 653271784 /nfs/dbraw/zinc/27/17/84/653271784.db2.gz JQTVFYVBUDKXIB-LBPRGKRZSA-N 1 0 380.297 1.945 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000631927683 653272982 /nfs/dbraw/zinc/27/29/82/653272982.db2.gz GABRWGIWGIEQKH-GHMZBOCLSA-N 1 0 399.460 1.660 20 0 GDADRO CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631951691 653277754 /nfs/dbraw/zinc/27/77/54/653277754.db2.gz NMKRXYVKYDLVQB-HZPDHXFCSA-N 1 0 388.917 1.810 20 0 GDADRO Cn1nc2c(c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)CCCC2 ZINC000631954232 653278686 /nfs/dbraw/zinc/27/86/86/653278686.db2.gz FSBXYRUVUGGTQA-PWSUYJOCSA-N 1 0 380.436 1.447 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000631973976 653282928 /nfs/dbraw/zinc/28/29/28/653282928.db2.gz ODNWPQBIZSIAHI-IUCAKERBSA-N 1 0 379.276 1.577 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631992213 653286160 /nfs/dbraw/zinc/28/61/60/653286160.db2.gz ROIWIPIYDIRMPH-MWLCHTKSSA-N 1 0 380.333 1.809 20 0 GDADRO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631993719 653286543 /nfs/dbraw/zinc/28/65/43/653286543.db2.gz YHDGXGSZBCWCOZ-AAEUAGOBSA-N 1 0 379.404 1.785 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000632036010 653293895 /nfs/dbraw/zinc/29/38/95/653293895.db2.gz HPYNSXRTODESED-GFCCVEGCSA-N 1 0 380.436 1.935 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)Cc1ncsc1Br ZINC000632097918 653304565 /nfs/dbraw/zinc/30/45/65/653304565.db2.gz ZEDWHUHDTOXCEY-PSASIEDQSA-N 1 0 380.333 1.808 20 0 GDADRO Cc1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)sn1 ZINC000632197339 653315346 /nfs/dbraw/zinc/31/53/46/653315346.db2.gz PCRPSUUDFUPZNH-INIZCTEOSA-N 1 0 381.523 1.887 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000632197886 653315762 /nfs/dbraw/zinc/31/57/62/653315762.db2.gz ZKLIJSGLROSCFT-INIZCTEOSA-N 1 0 389.543 1.174 20 0 GDADRO Cc1nc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c(-c2ccccc2)s1 ZINC000632254763 653324323 /nfs/dbraw/zinc/32/43/23/653324323.db2.gz XPRYUNWRMJGKMW-UHFFFAOYSA-N 1 0 380.539 1.644 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCC(=O)c2ccc(F)cc2Cl)CC1 ZINC000632601007 653382593 /nfs/dbraw/zinc/38/25/93/653382593.db2.gz UXZJNHTVNKAQFV-UHFFFAOYSA-N 1 0 391.896 1.219 20 0 GDADRO COC[C@]1(CNC(=O)NCc2nc(C)c(Br)s2)CCC[NH2+]1 ZINC000632918953 653414740 /nfs/dbraw/zinc/41/47/40/653414740.db2.gz NWFDHPFQBFAVDL-CYBMUJFWSA-N 1 0 377.308 1.782 20 0 GDADRO O=C(Nc1ccc(Br)cc1C(F)(F)F)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633029795 653422007 /nfs/dbraw/zinc/42/20/07/653422007.db2.gz XOJJXWYQHHDMFA-IUCAKERBSA-N 1 0 392.175 1.979 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000633036302 653422518 /nfs/dbraw/zinc/42/25/18/653422518.db2.gz IRCUOIAJHSBXJD-AAEUAGOBSA-N 1 0 382.917 1.780 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)Nc2nnc3ccc(Br)cn32)cn1 ZINC000633263009 653435498 /nfs/dbraw/zinc/43/54/98/653435498.db2.gz IGMCBWUAVXPHAE-UHFFFAOYSA-N 1 0 378.234 1.502 20 0 GDADRO COc1cc(C[NH+](C)C)ccc1NC(=O)CNS(=O)(=O)c1cccs1 ZINC000633374618 653440990 /nfs/dbraw/zinc/44/09/90/653440990.db2.gz YMQDXFSFGFOCCW-UHFFFAOYSA-N 1 0 383.495 1.735 20 0 GDADRO O=C(c1ccc2cncc(Br)c2n1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000633588995 653457318 /nfs/dbraw/zinc/45/73/18/653457318.db2.gz FBFKPHZZJGCHJU-NWDGAFQWSA-N 1 0 377.242 1.283 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)COc2ccc(Br)cn2)CCO1 ZINC000633657189 653460199 /nfs/dbraw/zinc/46/01/99/653460199.db2.gz FXVUDMMEOJCZMJ-AWEZNQCLSA-N 1 0 386.290 1.792 20 0 GDADRO Cn1ncc(Br)c1C(=O)N1CCN(Cc2ccc(O)cc2)CC1 ZINC000633899033 653478226 /nfs/dbraw/zinc/47/82/26/653478226.db2.gz ULEIQINUSKSBCD-UHFFFAOYSA-N 1 0 379.258 1.846 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cc1 ZINC000634533144 653493735 /nfs/dbraw/zinc/49/37/35/653493735.db2.gz CQWJJZRBOMTXEH-ZDUSSCGKSA-N 1 0 380.491 1.731 20 0 GDADRO C[C@](O)(C[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1Br)C1CC1 ZINC000634720712 653497250 /nfs/dbraw/zinc/49/72/50/653497250.db2.gz OCBKQQMCRQSNKI-ZQIUZPCESA-N 1 0 388.302 1.690 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C2 ZINC000634747228 653498030 /nfs/dbraw/zinc/49/80/30/653498030.db2.gz CAMZCACFIIPAOI-XYPHTWIQSA-N 1 0 383.539 1.359 20 0 GDADRO CCN(C(=O)C(=O)NCc1ccc(C)c(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000634906378 653503095 /nfs/dbraw/zinc/50/30/95/653503095.db2.gz MNFAPRWHTHFUHL-AWEZNQCLSA-N 1 0 382.302 1.926 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1Cl ZINC000634990765 653503982 /nfs/dbraw/zinc/50/39/82/653503982.db2.gz BKPPFMMKFVJFHK-UHFFFAOYSA-N 1 0 382.795 1.993 20 0 GDADRO C[NH+](C)CC1(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000635097381 653506154 /nfs/dbraw/zinc/50/61/54/653506154.db2.gz ISMYNGYQQGWQCW-UHFFFAOYSA-N 1 0 385.917 1.515 20 0 GDADRO C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)cc1 ZINC000635491128 653519924 /nfs/dbraw/zinc/51/99/24/653519924.db2.gz ZVUJYXALZXPTMR-KGLIPLIRSA-N 1 0 378.416 1.952 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000637423694 653528322 /nfs/dbraw/zinc/52/83/22/653528322.db2.gz RGLRNNIJHVTUFM-UHFFFAOYSA-N 1 0 392.244 1.983 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000637649526 653530535 /nfs/dbraw/zinc/53/05/35/653530535.db2.gz BPGBCVANBYKVQR-KLZNWCGWSA-N 1 0 380.286 1.453 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)s1 ZINC000637900231 653531900 /nfs/dbraw/zinc/53/19/00/653531900.db2.gz ZCPIZXDKZXVGBX-WBMJQRKESA-N 1 0 389.543 1.162 20 0 GDADRO O=C(NCCCO)C1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000637906603 653532101 /nfs/dbraw/zinc/53/21/01/653532101.db2.gz BEDGOBQRQLNPCK-UHFFFAOYSA-N 1 0 396.289 1.202 20 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LDZMLRAITTZYOU-ZFWWWQNUSA-N 1 0 376.544 1.920 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638575077 653540518 /nfs/dbraw/zinc/54/05/18/653540518.db2.gz JTEKZZKSEHLIMZ-HNNXBMFYSA-N 1 0 398.301 1.292 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638581437 653540695 /nfs/dbraw/zinc/54/06/95/653540695.db2.gz JQMBYPRWPOJJCQ-CQSZACIVSA-N 1 0 384.274 1.154 20 0 GDADRO CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638595562 653541084 /nfs/dbraw/zinc/54/10/84/653541084.db2.gz ICGGPOJGLMMFHB-KBPBESRZSA-N 1 0 384.274 1.423 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C[NH2+]1 ZINC000638654769 653542137 /nfs/dbraw/zinc/54/21/37/653542137.db2.gz GLKHSBFTIRPSCG-JQWIXIFHSA-N 1 0 394.269 1.692 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000638770866 653543026 /nfs/dbraw/zinc/54/30/26/653543026.db2.gz SYAGUBXJWJFJTR-CMPLNLGQSA-N 1 0 382.258 1.431 20 0 GDADRO CO[C@@H](C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)C1CCOCC1 ZINC000638771301 653543240 /nfs/dbraw/zinc/54/32/40/653543240.db2.gz CXGXRKRCDDCPQF-LBPRGKRZSA-N 1 0 382.935 1.711 20 0 GDADRO O=S1(=O)CCC(CC[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638798882 653543710 /nfs/dbraw/zinc/54/37/10/653543710.db2.gz JBPVLWRJFCACAJ-UHFFFAOYSA-N 1 0 387.303 1.796 20 0 GDADRO [NH3+][C@H]1CC[C@H](NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000639029090 653544770 /nfs/dbraw/zinc/54/47/70/653544770.db2.gz VRSNNVRSPIVLHW-HDJSIYSDSA-N 1 0 389.315 1.750 20 0 GDADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639060597 653545248 /nfs/dbraw/zinc/54/52/48/653545248.db2.gz FXCHLZZTSWLJNL-KBPBESRZSA-N 1 0 385.262 1.402 20 0 GDADRO CO[C@H](C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CCOC1 ZINC000639134879 653547218 /nfs/dbraw/zinc/54/72/18/653547218.db2.gz AFCOWPVMGOXXEQ-BXUZGUMPSA-N 1 0 380.869 1.399 20 0 GDADRO CO[C@H](C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C)C1CCOCC1 ZINC000639165995 653547665 /nfs/dbraw/zinc/54/76/65/653547665.db2.gz VLSZPWZAVKXNTK-MRXNPFEDSA-N 1 0 390.933 1.958 20 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C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000642777874 653579222 /nfs/dbraw/zinc/57/92/22/653579222.db2.gz UODPSFDCZAEFFU-OCCSQVGLSA-N 1 0 398.301 1.591 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000642802143 653579482 /nfs/dbraw/zinc/57/94/82/653579482.db2.gz GZGITKUTDCKHMD-OAHLLOKOSA-N 1 0 386.315 1.729 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000642883507 653579589 /nfs/dbraw/zinc/57/95/89/653579589.db2.gz LJNJLROWRIEZJB-UHFFFAOYSA-N 1 0 382.302 1.711 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000642903101 653579596 /nfs/dbraw/zinc/57/95/96/653579596.db2.gz BNKGRTHVTXGPCB-HNNXBMFYSA-N 1 0 380.286 1.592 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000642902015 653579599 /nfs/dbraw/zinc/57/95/99/653579599.db2.gz IGSSXLGAXLJWEX-NSHDSACASA-N 1 0 398.276 1.731 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000642918765 653579769 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384.274 1.650 20 0 GDADRO C[C@H](Oc1ccccc1Br)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649075490 653663902 /nfs/dbraw/zinc/66/39/02/653663902.db2.gz DPHRMZGOZJUCSE-OLZOCXBDSA-N 1 0 398.301 1.795 20 0 GDADRO Cc1nc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(Br)s1 ZINC000649234841 653665548 /nfs/dbraw/zinc/66/55/48/653665548.db2.gz RNVZARVGSSXUDN-QMMMGPOBSA-N 1 0 375.292 1.406 20 0 GDADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649422419 653667435 /nfs/dbraw/zinc/66/74/35/653667435.db2.gz SZCARELGJUQQPM-UHFFFAOYSA-N 1 0 394.310 1.422 20 0 GDADRO O=C(NCCCc1cccc(Br)c1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650860629 653700444 /nfs/dbraw/zinc/70/04/44/653700444.db2.gz LWNBBYBCXBDTPM-MRXNPFEDSA-N 1 0 382.302 1.842 20 0 GDADRO CN(CC[NH+]1CCCCC1)C(=O)NCCn1cc(Br)ccc1=O ZINC000651126213 653812131 /nfs/dbraw/zinc/81/21/31/653812131.db2.gz LHMXZAYJOFVBDL-UHFFFAOYSA-N 1 0 385.306 1.738 20 0 GDADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC1 ZINC000651531523 653829597 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Cc1cc(C)c(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000667404795 654449373 /nfs/dbraw/zinc/44/93/73/654449373.db2.gz XODJLZYNZODJQI-SMDDNHRTSA-N 1 0 384.274 1.579 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667535989 654454112 /nfs/dbraw/zinc/45/41/12/654454112.db2.gz YXHMPZGCHJZEFK-GWCFXTLKSA-N 1 0 393.285 1.870 20 0 GDADRO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CCc2ccc(Br)cc21 ZINC000667540652 654454476 /nfs/dbraw/zinc/45/44/76/654454476.db2.gz PYQBDLSKBKVPQT-RISCZKNCSA-N 1 0 378.270 1.549 20 0 GDADRO Cc1n[nH]c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1Br ZINC000769318880 654455750 /nfs/dbraw/zinc/45/57/50/654455750.db2.gz VUACAKCLTFOZFM-QWHCGFSZSA-N 1 0 385.306 1.978 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000667559900 654456035 /nfs/dbraw/zinc/45/60/35/654456035.db2.gz WCIYVGMGVZDTDE-NSHDSACASA-N 1 0 394.273 1.290 20 0 GDADRO CCOCCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000667560483 654456066 /nfs/dbraw/zinc/45/60/66/654456066.db2.gz BILVCKRBCFLRTM-SNVBAGLBSA-N 1 0 388.262 1.266 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000731952392 654456100 /nfs/dbraw/zinc/45/61/00/654456100.db2.gz VBULZQFFWOTEGQ-HNNXBMFYSA-N 1 0 382.555 1.802 20 0 GDADRO O=C(C(=O)N1CCc2ccc(Br)cc21)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000667713198 654460535 /nfs/dbraw/zinc/46/05/35/654460535.db2.gz DRPOCYBYFSXAOC-STQMWFEESA-N 1 0 378.270 1.406 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Br)ccc1-n1cnnn1)[N@H+](C)C1CC1 ZINC000668095544 654473911 /nfs/dbraw/zinc/47/39/11/654473911.db2.gz KENMNAFNCLVARF-JTQLQIEISA-N 1 0 379.262 1.637 20 0 GDADRO O=C(CCCC[NH+]1CCCC1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000732970307 654494403 /nfs/dbraw/zinc/49/44/03/654494403.db2.gz ARHKIAUYMCGKAJ-UHFFFAOYSA-N 1 0 381.489 1.633 20 0 GDADRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000770194542 654503216 /nfs/dbraw/zinc/50/32/16/654503216.db2.gz GGEDPVFJHMHGPD-UHFFFAOYSA-N 1 0 376.862 1.613 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000669363099 654503228 /nfs/dbraw/zinc/50/32/28/654503228.db2.gz IGUPRGCCZSKXHZ-GFCCVEGCSA-N 1 0 393.289 1.839 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC[NH2+]C3CC3)nc12 ZINC000669558945 654505728 /nfs/dbraw/zinc/50/57/28/654505728.db2.gz KGMVBYUGQVEFSV-UHFFFAOYSA-N 1 0 380.290 1.999 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1c(Cl)ccnc1Cl ZINC000770293119 654508061 /nfs/dbraw/zinc/50/80/61/654508061.db2.gz OXZBZNMJPHOJMX-NSHDSACASA-N 1 0 381.329 1.693 20 0 GDADRO NS(=O)(=O)c1ccsc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000669705051 654508775 /nfs/dbraw/zinc/50/87/75/654508775.db2.gz UGXTZILJUTXHEG-UHFFFAOYSA-N 1 0 379.507 1.921 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](OC(F)F)C1)c1cccs1 ZINC000670535441 654523686 /nfs/dbraw/zinc/52/36/86/654523686.db2.gz PKGPKFNWKBFRCX-RYUDHWBXSA-N 1 0 375.441 1.697 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](OC(F)F)C1)c1cccs1 ZINC000670535439 654523779 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CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2F)CC1 ZINC000775037040 654652282 /nfs/dbraw/zinc/65/22/82/654652282.db2.gz ZRVCFMMSDQWTGM-UHFFFAOYSA-N 1 0 386.265 1.805 20 0 GDADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000775160704 654657150 /nfs/dbraw/zinc/65/71/50/654657150.db2.gz GBSARVXLQTVJLA-CYBMUJFWSA-N 1 0 392.327 1.400 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000677017721 654659114 /nfs/dbraw/zinc/65/91/14/654659114.db2.gz RUYPFECMCIRTNA-KBPBESRZSA-N 1 0 389.543 1.056 20 0 GDADRO O=C1C(=O)N(CN2CC[C@@H]([NH+]3CC=CC3)C2)c2cccc(Br)c21 ZINC000742162824 654695753 /nfs/dbraw/zinc/69/57/53/654695753.db2.gz KAJJIHCTNJYQKX-GFCCVEGCSA-N 1 0 376.254 1.882 20 0 GDADRO COc1ccc(Br)c(CC(=O)N2CC[NH+](C(C)(C)CO)CC2)c1 ZINC000679314651 654701097 /nfs/dbraw/zinc/70/10/97/654701097.db2.gz GOGQFFJETPGWKK-UHFFFAOYSA-N 1 0 385.302 1.915 20 0 GDADRO CCC[N@@H+]1CC[C@@H](CNc2ncc(Br)cc2S(N)(=O)=O)C1 ZINC000679466981 654702720 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COC(=O)C1(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000777221979 654714971 /nfs/dbraw/zinc/71/49/71/654714971.db2.gz OEYRJRBAEKWEGQ-LLVKDONJSA-N 1 0 375.878 1.247 20 0 GDADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000743979925 654721923 /nfs/dbraw/zinc/72/19/23/654721923.db2.gz CRUPJGNFYOMEJR-UOXLDJKESA-N 1 0 385.917 1.758 20 0 GDADRO COC1CC[NH+](CCNC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000681194844 654724511 /nfs/dbraw/zinc/72/45/11/654724511.db2.gz PTSBOYYBWZRURZ-UHFFFAOYSA-N 1 0 398.301 1.406 20 0 GDADRO CSC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000778077899 654731424 /nfs/dbraw/zinc/73/14/24/654731424.db2.gz NJKQCPOPMNHIOX-UONOGXRCSA-N 1 0 375.535 1.063 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nn1cc(Br)cn1 ZINC000778395274 654740728 /nfs/dbraw/zinc/74/07/28/654740728.db2.gz DSRJNARGVOXVLV-UHFFFAOYSA-N 1 0 379.262 1.323 20 0 GDADRO CC1(C)CN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000681992828 654744259 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C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cn1 ZINC000684553393 654799041 /nfs/dbraw/zinc/79/90/41/654799041.db2.gz PHAMXNBMLRKXDY-ZBFHGGJFSA-N 1 0 383.334 1.901 20 0 GDADRO CC(C)(C)OC(=O)NC1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000749058173 654820694 /nfs/dbraw/zinc/82/06/94/654820694.db2.gz GWJCXOIAGULAHY-AWEZNQCLSA-N 1 0 375.535 1.647 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000685595886 654822037 /nfs/dbraw/zinc/82/20/37/654822037.db2.gz CMNNDOSSSSISPB-GFCCVEGCSA-N 1 0 375.441 1.331 20 0 GDADRO Cc1n[nH]c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1Br ZINC000782031591 654822843 /nfs/dbraw/zinc/82/28/43/654822843.db2.gz CHSXYIIGHCTGLN-CQSZACIVSA-N 1 0 393.285 1.977 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000685636955 654824078 /nfs/dbraw/zinc/82/40/78/654824078.db2.gz NMVVLKZBPKBMAG-GFCCVEGCSA-N 1 0 379.404 1.194 20 0 GDADRO COC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)C ZINC000721743692 654839196 /nfs/dbraw/zinc/83/91/96/654839196.db2.gz CWQDTBMRBDCYDJ-HUUCEWRRSA-N 1 0 378.535 1.671 20 0 GDADRO C[NH+]1CCC(CNC(=S)N2CCC(S(=O)(=O)N3CCCC3)CC2)CC1 ZINC000799909048 654862670 /nfs/dbraw/zinc/86/26/70/654862670.db2.gz XIOVNCJHJRUUJE-UHFFFAOYSA-N 1 0 388.603 1.093 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000727287183 654871917 /nfs/dbraw/zinc/87/19/17/654871917.db2.gz BTORYFVYRYHPIM-ZFWWWQNUSA-N 1 0 384.571 1.604 20 0 GDADRO CN(CCCNC(=S)NNC(=S)NCCC[NH+](C)C)c1ccccc1 ZINC000727291309 654872373 /nfs/dbraw/zinc/87/23/73/654872373.db2.gz VHZCDJMTWIWKIF-UHFFFAOYSA-N 1 0 382.603 1.308 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000800309107 654881948 /nfs/dbraw/zinc/88/19/48/654881948.db2.gz HNMRQXFMQMCWBL-UKRRQHHQSA-N 1 0 375.535 1.693 20 0 GDADRO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000800309039 654881973 /nfs/dbraw/zinc/88/19/73/654881973.db2.gz BURYZNYFBDVNRP-GOEBONIOSA-N 1 0 375.535 1.551 20 0 GDADRO COC(=O)CC1([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CCS(=O)(=O)CC1 ZINC000784399715 654885511 /nfs/dbraw/zinc/88/55/11/654885511.db2.gz PMCKJGACCFHQOR-CQSZACIVSA-N 1 0 393.864 1.613 20 0 GDADRO Cn1cc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000829111265 654891447 /nfs/dbraw/zinc/89/14/47/654891447.db2.gz OICIVSQDQCXGRJ-INIZCTEOSA-N 1 0 379.258 1.758 20 0 GDADRO OCCN(Cc1cc(Br)ccc1F)C[C@H](O)C[NH+]1CCCC1 ZINC000728686665 654893802 /nfs/dbraw/zinc/89/38/02/654893802.db2.gz UUVOYGAWKABJGN-OAHLLOKOSA-N 1 0 375.282 1.839 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(=O)n(C)cc2Br)CCN1c1cc[nH+]cc1 ZINC000829215468 654894207 /nfs/dbraw/zinc/89/42/07/654894207.db2.gz PEDSMMCKXOLXMM-LBPRGKRZSA-N 1 0 391.269 1.894 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000751478258 654894984 /nfs/dbraw/zinc/89/49/84/654894984.db2.gz FPYLMLCCCSDCND-AWEZNQCLSA-N 1 0 393.918 1.237 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000751478259 654895132 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C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801525794 654926884 /nfs/dbraw/zinc/92/68/84/654926884.db2.gz ZSCZJTACELQIAT-RBSFLKMASA-N 1 0 375.535 1.503 20 0 GDADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000753080318 654942044 /nfs/dbraw/zinc/94/20/44/654942044.db2.gz ASZBERQAAJDEKP-ZDUSSCGKSA-N 1 0 376.906 1.566 20 0 GDADRO C[NH+](C)CCCNC(=S)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000753159103 654943775 /nfs/dbraw/zinc/94/37/75/654943775.db2.gz WZMWIKDCELLJNO-HNNXBMFYSA-N 1 0 387.546 1.641 20 0 GDADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000802654266 654951738 /nfs/dbraw/zinc/95/17/38/654951738.db2.gz HQXYKFGEZPFYHC-URGYJCLVSA-N 1 0 375.535 1.834 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)c3ncc(Br)cn3)ccn2)CC1 ZINC000786994296 654956778 /nfs/dbraw/zinc/95/67/78/654956778.db2.gz FWDUCLAMGGTWEV-UHFFFAOYSA-N 1 0 391.273 1.316 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000753849333 654959334 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O=C(NC[C@H](O)c1cccc(Br)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842005352 655355117 /nfs/dbraw/zinc/35/51/17/655355117.db2.gz SLKVEEDIDIELMN-NWDGAFQWSA-N 1 0 378.217 1.779 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000842011143 655355173 /nfs/dbraw/zinc/35/51/73/655355173.db2.gz PSVZTMBELJCPGH-SWLSCSKDSA-N 1 0 386.290 1.502 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000842216865 655359392 /nfs/dbraw/zinc/35/93/92/655359392.db2.gz PEJUHFZDCRRHLL-HZMBPMFUSA-N 1 0 386.265 1.361 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000842217102 655359403 /nfs/dbraw/zinc/35/94/03/655359403.db2.gz SONUCNINQBKSAT-CYBMUJFWSA-N 1 0 386.265 1.505 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000817824010 655359804 /nfs/dbraw/zinc/35/98/04/655359804.db2.gz HMKLKQRCEPTUOQ-CQSZACIVSA-N 1 0 387.596 1.603 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1)C(F)(F)F ZINC000817862251 655361070 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COC(=O)c1cc(Br)c(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)s1 ZINC000842723345 655373647 /nfs/dbraw/zinc/37/36/47/655373647.db2.gz CGYXKZVCBRTNJK-MRVPVSSYSA-N 1 0 385.305 1.559 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000842726955 655373954 /nfs/dbraw/zinc/37/39/54/655373954.db2.gz RXPWXYYQKJXOBT-VXGBXAGGSA-N 1 0 375.516 1.395 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000842726847 655374012 /nfs/dbraw/zinc/37/40/12/655374012.db2.gz PJLKLDDEUUQBDP-JOYOIKCWSA-N 1 0 391.287 1.594 20 0 GDADRO C[C@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000818533896 655376236 /nfs/dbraw/zinc/37/62/36/655376236.db2.gz VLHSYAMYDFNNNA-STQMWFEESA-N 1 0 385.917 1.998 20 0 GDADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000818527767 655376242 /nfs/dbraw/zinc/37/62/42/655376242.db2.gz ZUWAPJBQPNIGDS-NEPJUHHUSA-N 1 0 376.258 1.996 20 0 GDADRO CC1([NH3+])CCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000842776095 655376308 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388.921 1.520 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCC([NH3+])CC1 ZINC000843354798 655393534 /nfs/dbraw/zinc/39/35/34/655393534.db2.gz OJPMMIJFCSMVKF-UHFFFAOYSA-N 1 0 394.324 2.000 20 0 GDADRO CC[C@@H]1CN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC[C@@H]1[NH3+] ZINC000843376574 655393854 /nfs/dbraw/zinc/39/38/54/655393854.db2.gz BOSDTGCNZAFVCL-NEPJUHHUSA-N 1 0 375.441 1.681 20 0 GDADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000843372755 655393858 /nfs/dbraw/zinc/39/38/58/655393858.db2.gz FRHJDBHQZSJLBS-OAHLLOKOSA-N 1 0 388.921 1.071 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)sc1Br ZINC000843451509 655395185 /nfs/dbraw/zinc/39/51/85/655395185.db2.gz SERSPFSWOTWBEX-QMMMGPOBSA-N 1 0 394.316 1.125 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)[C@H](C)C[NH2+]1 ZINC000843455612 655395375 /nfs/dbraw/zinc/39/53/75/655395375.db2.gz RUFFTBDFKODXKR-GHMZBOCLSA-N 1 0 380.495 1.121 20 0 GDADRO CC[C@@H]1CN(C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)CC[C@H]1[NH3+] ZINC000843471459 655395906 /nfs/dbraw/zinc/39/59/06/655395906.db2.gz UVYHEJHHVJTODI-YNEHKIRRSA-N 1 0 388.921 1.378 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1CC12CC[NH2+]CC2)NS(=O)(=O)c1cccnc1Cl ZINC000843478520 655396272 /nfs/dbraw/zinc/39/62/72/655396272.db2.gz HLTQOJTXEQFTEF-DGCLKSJQSA-N 1 0 386.905 1.050 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000843500878 655397029 /nfs/dbraw/zinc/39/70/29/655397029.db2.gz BRLPKPCRLLWSDP-OAHLLOKOSA-N 1 0 392.308 1.626 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC[C@H]1c1ccc(F)cc1 ZINC000843501317 655397087 /nfs/dbraw/zinc/39/70/87/655397087.db2.gz IGAZADHSLWQXKR-OWCLPIDISA-N 1 0 386.514 1.389 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000843507038 655397313 /nfs/dbraw/zinc/39/73/13/655397313.db2.gz ORRFPMAMXLQHMR-GFCCVEGCSA-N 1 0 385.917 1.995 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCCC[NH2+]C2CC2)ccc1Cl ZINC000843511895 655397420 /nfs/dbraw/zinc/39/74/20/655397420.db2.gz ARZLCRFIAZLXLW-UHFFFAOYSA-N 1 0 375.878 1.394 20 0 GDADRO CN1C(=S)N=NC1CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000820279797 655407168 /nfs/dbraw/zinc/40/71/68/655407168.db2.gz ZFTQQQLHBRGXQX-ZDUSSCGKSA-N 1 0 382.921 1.902 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000844171070 655408311 /nfs/dbraw/zinc/40/83/11/655408311.db2.gz LWAJXIHQMXYDCX-AWEZNQCLSA-N 1 0 383.290 1.261 20 0 GDADRO C[NH+]1CCC(OCC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000820341076 655408469 /nfs/dbraw/zinc/40/84/69/655408469.db2.gz BHERGSCWYXVFIN-HNNXBMFYSA-N 1 0 389.265 1.849 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)c1cccn2c(I)cnc12 ZINC000844200604 655408516 /nfs/dbraw/zinc/40/85/16/655408516.db2.gz VUVMHEBHAJZCHX-UHFFFAOYSA-N 1 0 384.221 1.811 20 0 GDADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000844305376 655409318 /nfs/dbraw/zinc/40/93/18/655409318.db2.gz ZJGRJFYYTLBKBI-CXAGYDPISA-N 1 0 376.519 1.585 20 0 GDADRO COCC[N@H+]1[C@H](C)CN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000844347853 655409685 /nfs/dbraw/zinc/40/96/85/655409685.db2.gz SBMZQONZHSIBRB-BETUJISGSA-N 1 0 375.922 1.528 20 0 GDADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000844344231 655409734 /nfs/dbraw/zinc/40/97/34/655409734.db2.gz VQPVPFJELCOMLU-GUYCJALGSA-N 1 0 376.519 1.442 20 0 GDADRO O=C(CNC(=O)c1cc(=O)[nH]cc1Br)NCC[NH+]1CCCCCC1 ZINC000820442801 655409913 /nfs/dbraw/zinc/40/99/13/655409913.db2.gz YSURVVOFDWRXQC-UHFFFAOYSA-N 1 0 399.289 1.272 20 0 GDADRO C[NH+](C)CCn1c2cc(C(=O)NC[C@@H]3CSCCS3)ccc2[nH]c1=O ZINC000820700067 655413932 /nfs/dbraw/zinc/41/39/32/655413932.db2.gz COBSMWHRCMKMOH-CYBMUJFWSA-N 1 0 380.539 1.882 20 0 GDADRO C[NH+](C)CCN1CCN(CN2Cc3cccc(Br)c3C2=O)CC1=O ZINC000844722177 655413934 /nfs/dbraw/zinc/41/39/34/655413934.db2.gz QVMGXPUXJGNIKI-UHFFFAOYSA-N 1 0 395.301 1.068 20 0 GDADRO Cc1sc(Br)nc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844762196 655414408 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CCn1ncc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1Br ZINC000821436021 655430114 /nfs/dbraw/zinc/43/01/14/655430114.db2.gz IEFQIUIPAPWBCZ-ZFWWWQNUSA-N 1 0 398.349 1.764 20 0 GDADRO C[C@@H](C[NH+]1CCCC1)OC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000845665579 655433976 /nfs/dbraw/zinc/43/39/76/655433976.db2.gz WURFWSSPODDCPK-LBPRGKRZSA-N 1 0 376.425 1.661 20 0 GDADRO C[C@H]1CC[C@H]([NH2+]CCCN2CCCS2(=O)=O)CN1C(=O)OC(C)(C)C ZINC000822455691 655445697 /nfs/dbraw/zinc/44/56/97/655445697.db2.gz IOXLGZCOYFUBDJ-GJZGRUSLSA-N 1 0 375.535 1.790 20 0 GDADRO COCC[NH2+]C1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000846228761 655450027 /nfs/dbraw/zinc/45/00/27/655450027.db2.gz CWSRMIIVZYVNDN-UHFFFAOYSA-N 1 0 378.907 1.438 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000846232698 655450271 /nfs/dbraw/zinc/45/02/71/655450271.db2.gz XZVKZVCKCLTDHE-LRDDRELGSA-N 1 0 387.527 1.396 20 0 GDADRO Cc1cnc(Br)cc1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000822738026 655450355 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O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Br)cn2ncnc12 ZINC000823193172 655457904 /nfs/dbraw/zinc/45/79/04/655457904.db2.gz CWPOACJMNRAKCU-GFCCVEGCSA-N 1 0 382.262 1.068 20 0 GDADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000846638865 655458062 /nfs/dbraw/zinc/45/80/62/655458062.db2.gz NEEURMBCNIQYFH-UHFFFAOYSA-N 1 0 398.349 1.738 20 0 GDADRO C[C@@H](CC(=O)NCCC1CC[NH2+]CC1)NS(=O)(=O)c1cccnc1Cl ZINC000846700506 655459028 /nfs/dbraw/zinc/45/90/28/655459028.db2.gz UWXDJNQQADILKG-LBPRGKRZSA-N 1 0 388.921 1.298 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)C1 ZINC000846917752 655462888 /nfs/dbraw/zinc/46/28/88/655462888.db2.gz CYYFWBZBEYHQQE-WMLDXEAASA-N 1 0 376.519 1.115 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN(C)C[C@@H](O)c1cccc(Br)c1 ZINC000846992221 655464424 /nfs/dbraw/zinc/46/44/24/655464424.db2.gz BNXHABONTDKZOB-JKSUJKDBSA-N 1 0 375.307 1.353 20 0 GDADRO COc1ccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)nc1I ZINC000847181134 655466152 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C[NH+](C)CCn1ccc(C(=O)NC[C@@H](O)c2ccccc2Br)n1 ZINC000848214297 655484791 /nfs/dbraw/zinc/48/47/91/655484791.db2.gz VCPVRJHAMUUVIV-OAHLLOKOSA-N 1 0 381.274 1.671 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000848474812 655493658 /nfs/dbraw/zinc/49/36/58/655493658.db2.gz IQJBDUOJUWVPJK-OKILXGFUSA-N 1 0 375.535 1.646 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NNc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825854534 655494355 /nfs/dbraw/zinc/49/43/55/655494355.db2.gz CQDSIHPMKUDUNU-UHFFFAOYSA-N 1 0 382.925 1.899 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCN2CCCS2(=O)=O)C1 ZINC000848535155 655496445 /nfs/dbraw/zinc/49/64/45/655496445.db2.gz XAURMJVKGOUMBN-LSDHHAIUSA-N 1 0 375.535 1.838 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000848594356 655497103 /nfs/dbraw/zinc/49/71/03/655497103.db2.gz AZGZKCRKEYUWHB-NXEZZACHSA-N 1 0 375.269 1.807 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)C(F)(F)F ZINC000848594738 655497158 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O=C(c1cc(Br)ccc1-n1cnnn1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000851638768 655589600 /nfs/dbraw/zinc/58/96/00/655589600.db2.gz KYVVGRCNHMMKMB-OAHLLOKOSA-N 1 0 377.246 1.393 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1Br ZINC000851648442 655589741 /nfs/dbraw/zinc/58/97/41/655589741.db2.gz GRCSKMQMQCWKMC-GHMZBOCLSA-N 1 0 379.251 1.364 20 0 GDADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000851851924 655599743 /nfs/dbraw/zinc/59/97/43/655599743.db2.gz HOFCZHWZVQWBAG-HNNXBMFYSA-N 1 0 386.901 1.762 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)CCO1 ZINC000851887352 655602572 /nfs/dbraw/zinc/60/25/72/655602572.db2.gz VTUUNBGWNZGYHN-LLVKDONJSA-N 1 0 381.292 1.773 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)C(C)(C)C ZINC000852011080 655605642 /nfs/dbraw/zinc/60/56/42/655605642.db2.gz ZVLZHRIONUWWDX-LBPRGKRZSA-N 1 0 375.491 1.956 20 0 GDADRO COC1CC[NH+](C(C)(C)CNC(=O)NCC[S@@](=O)CC(F)(F)F)CC1 ZINC000852077804 655607221 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O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852898449 655625840 /nfs/dbraw/zinc/62/58/40/655625840.db2.gz YXXVRZDZJXKSSL-SKDRFNHKSA-N 1 0 375.313 1.446 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)nn1C ZINC000852900526 655625939 /nfs/dbraw/zinc/62/59/39/655625939.db2.gz XTQNMJZRKBBDDT-UHFFFAOYSA-N 1 0 376.360 1.733 20 0 GDADRO CO[C@H](C[NH3+])CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901317 655625972 /nfs/dbraw/zinc/62/59/72/655625972.db2.gz GHWWMEZWSCGUPN-NGZCFLSTSA-N 1 0 384.112 1.705 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)[C@@H](CCSC)NS(=O)(=O)/C=C\c1ccccc1 ZINC000852919813 655628284 /nfs/dbraw/zinc/62/82/84/655628284.db2.gz CKUSLYUAAHYWLT-BAYDZXBMSA-N 1 0 385.555 1.423 20 0 GDADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCCN1CC[NH+](CC)CC1 ZINC000853151542 655633491 /nfs/dbraw/zinc/63/34/91/655633491.db2.gz QRRVWUKWOXSQKD-UHFFFAOYSA-N 1 0 389.953 1.286 20 0 GDADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000853282929 655637726 /nfs/dbraw/zinc/63/77/26/655637726.db2.gz WLKCIARSJRXGRO-UHFFFAOYSA-N 1 0 399.337 1.197 20 0 GDADRO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000853820154 655650985 /nfs/dbraw/zinc/65/09/85/655650985.db2.gz IPGKSFDHCTZLFL-HOTGVXAUSA-N 1 0 375.535 1.144 20 0 GDADRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000854466391 655667421 /nfs/dbraw/zinc/66/74/21/655667421.db2.gz BYQMPIXQICWMJN-NSHDSACASA-N 1 0 391.921 1.069 20 0 GDADRO Cn1nc(Br)cc1NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000854588534 655670573 /nfs/dbraw/zinc/67/05/73/655670573.db2.gz CNMDROLPCJGYGN-INIZCTEOSA-N 1 0 379.258 1.758 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1(Br)Br ZINC000854689277 655674041 /nfs/dbraw/zinc/67/40/41/655674041.db2.gz BZCFWEFCNMMYMM-CMPLNLGQSA-N 1 0 398.139 1.846 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1(Br)Br ZINC000854743391 655675750 /nfs/dbraw/zinc/67/57/50/655675750.db2.gz KMSKNHRCDGLZRR-PWSUYJOCSA-N 1 0 398.139 1.846 20 0 GDADRO Cn1nc(Br)cc1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000855402549 655693037 /nfs/dbraw/zinc/69/30/37/655693037.db2.gz FHVLDTQSZQFSPK-AWEZNQCLSA-N 1 0 393.285 1.679 20 0 GDADRO C[C@H](CCNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[NH+](C)C ZINC000855412480 655693681 /nfs/dbraw/zinc/69/36/81/655693681.db2.gz WYMCZPJUVGUTLD-SNVBAGLBSA-N 1 0 377.304 1.923 20 0 GDADRO C[C@@H](CCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)[NH+](C)C ZINC000855417646 655693907 /nfs/dbraw/zinc/69/39/07/655693907.db2.gz MDLPAAZTDNMXGY-NSHDSACASA-N 1 0 382.511 1.368 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(n2nncc2I)CC1 ZINC000855826082 655702297 /nfs/dbraw/zinc/70/22/97/655702297.db2.gz SMNIUDLYEAEZPS-NSHDSACASA-N 1 0 389.241 1.140 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1Cl ZINC000856255965 655711031 /nfs/dbraw/zinc/71/10/31/655711031.db2.gz RMBYZVQIAAQPIT-CQSZACIVSA-N 1 0 386.901 1.415 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000856745487 655716575 /nfs/dbraw/zinc/71/65/75/655716575.db2.gz GHVCUMRJZGCJKU-CABCVRRESA-N 1 0 375.535 1.505 20 0 GDADRO C[C@H](CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)NS(=O)(=O)c1cccnc1Cl ZINC000857009123 655725494 /nfs/dbraw/zinc/72/54/94/655725494.db2.gz TYAIYBCWROYONA-XHBSWPGZSA-N 1 0 386.905 1.132 20 0 GDADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000857103671 655727893 /nfs/dbraw/zinc/72/78/93/655727893.db2.gz MIRAGCBJOQSLFP-NXEZZACHSA-N 1 0 377.238 1.706 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c(Br)nc4n3CCOC4)CC[C@@H]21 ZINC000857155532 655729475 /nfs/dbraw/zinc/72/94/75/655729475.db2.gz UKWMESPLEDMQJL-NEPJUHHUSA-N 1 0 383.290 1.732 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(Br)nc3n2CCOC3)[C@H](C)C1 ZINC000857712709 655739742 /nfs/dbraw/zinc/73/97/42/655739742.db2.gz RMVSUXBTOSVXSX-VXGBXAGGSA-N 1 0 385.306 1.978 20 0 GDADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c(Br)nc3n1CCOC3)C2 ZINC000857721416 655740101 /nfs/dbraw/zinc/74/01/01/655740101.db2.gz KFXHYVXPWVDMOG-INIZCTEOSA-N 1 0 383.290 1.734 20 0 GDADRO Cn1cc(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c(Br)n1 ZINC000858090481 655744332 /nfs/dbraw/zinc/74/43/32/655744332.db2.gz PYBFTSGAVSZTJF-UHFFFAOYSA-N 1 0 384.278 1.527 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000858306730 655747012 /nfs/dbraw/zinc/74/70/12/655747012.db2.gz PVDSGPHSFVRXAB-OAHLLOKOSA-N 1 0 380.290 1.568 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)/C=C/c2cccc(Br)c2)CCOCC1 ZINC000858622466 655750818 /nfs/dbraw/zinc/75/08/18/655750818.db2.gz DUCNTHXHAZWGME-RUDMXATFSA-N 1 0 375.288 1.847 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)/C=C/c1ccccc1Br ZINC000858627897 655751115 /nfs/dbraw/zinc/75/11/15/655751115.db2.gz VUVSIDPAQXRWIK-KPKJPENVSA-N 1 0 377.304 1.917 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)/C=C\c1ccccc1Br ZINC000858627895 655751178 /nfs/dbraw/zinc/75/11/78/655751178.db2.gz VUVSIDPAQXRWIK-GHXNOFRVSA-N 1 0 377.304 1.917 20 0 GDADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000858641018 655751774 /nfs/dbraw/zinc/75/17/74/655751774.db2.gz XRQDCDXADHYKQI-SSDOTTSWSA-N 1 0 381.683 1.718 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)OCc2ccc(Br)cc2)CC1 ZINC000858903119 655755410 /nfs/dbraw/zinc/75/54/10/655755410.db2.gz KKXOTAQHVGDCEX-UHFFFAOYSA-N 1 0 384.274 1.792 20 0 GDADRO CN(CCOCC[N@H+](C)CC1CCS(=O)(=O)CC1)C(=O)OC(C)(C)C ZINC000859661828 655788539 /nfs/dbraw/zinc/78/85/39/655788539.db2.gz ISSNWSMLZRUJRG-UHFFFAOYSA-N 1 0 378.535 1.627 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC000859742021 655789525 /nfs/dbraw/zinc/78/95/25/655789525.db2.gz MRNHWANQERLTKY-UHFFFAOYSA-N 1 0 395.257 1.096 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000860196950 655796400 /nfs/dbraw/zinc/79/64/00/655796400.db2.gz NDGYUIQJDJBCPO-IUODEOHRSA-N 1 0 391.331 1.744 20 0 GDADRO CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000861340191 655819740 /nfs/dbraw/zinc/81/97/40/655819740.db2.gz GBPXGPBFPAWRHR-BLLLJJGKSA-N 1 0 377.409 1.949 20 0 GDADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc(Br)c(C)n(C)c2=O)C1 ZINC000861352258 655820208 /nfs/dbraw/zinc/82/02/08/655820208.db2.gz MNWPJYXRYUGOCA-MEDUHNTESA-N 1 0 387.274 1.722 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cnc1Cl ZINC000861515894 655824294 /nfs/dbraw/zinc/82/42/94/655824294.db2.gz QWWVJLHEKBFMOR-ONGXEEELSA-N 1 0 378.782 1.968 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861543076 655825561 /nfs/dbraw/zinc/82/55/61/655825561.db2.gz XGWJPNMHXDDEAX-VIFPVBQESA-N 1 0 386.246 1.370 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000861542139 655825576 /nfs/dbraw/zinc/82/55/76/655825576.db2.gz LYCABSCDXUIVLT-LURJTMIESA-N 1 0 394.067 1.351 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000861543578 655825663 /nfs/dbraw/zinc/82/56/63/655825663.db2.gz CXZJVMGGWMNZBC-ZCFIWIBFSA-N 1 0 383.168 1.607 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000861544499 655825695 /nfs/dbraw/zinc/82/56/95/655825695.db2.gz NIUYWPOMVBJVGO-WCBMZHEXSA-N 1 0 384.230 1.025 20 0 GDADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000861648095 655827399 /nfs/dbraw/zinc/82/73/99/655827399.db2.gz MUBBAZJYHBZZIH-CYBMUJFWSA-N 1 0 392.331 1.313 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000861733663 655829485 /nfs/dbraw/zinc/82/94/85/655829485.db2.gz ZWHPYTVQLOLNOT-WCQYABFASA-N 1 0 387.311 1.884 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(SC(F)(F)F)nc2)CC1=O ZINC000862121139 655839019 /nfs/dbraw/zinc/83/90/19/655839019.db2.gz FANXZHUPKCWBLR-UHFFFAOYSA-N 1 0 376.404 1.540 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1ccccc1SC(F)(F)F ZINC000862205472 655841805 /nfs/dbraw/zinc/84/18/05/655841805.db2.gz KGZVHIIGRDTDCE-JTQLQIEISA-N 1 0 377.388 1.420 20 0 GDADRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862290949 655843999 /nfs/dbraw/zinc/84/39/99/655843999.db2.gz IMENDSDPGOUWRH-ZFWWWQNUSA-N 1 0 376.519 1.425 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000863565218 655875775 /nfs/dbraw/zinc/87/57/75/655875775.db2.gz CNHJMNPZYRKKHD-KGLIPLIRSA-N 1 0 377.388 1.713 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000863768005 655880536 /nfs/dbraw/zinc/88/05/36/655880536.db2.gz YQYHKVRJPRRVBF-SECBINFHSA-N 1 0 388.693 1.793 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000863771868 655880575 /nfs/dbraw/zinc/88/05/75/655880575.db2.gz DQPKWYVMTKVYJC-OBJOEFQTSA-N 1 0 382.302 1.959 20 0 GDADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000863831274 655882730 /nfs/dbraw/zinc/88/27/30/655882730.db2.gz GWXCGFRJUJAREA-GJZGRUSLSA-N 1 0 395.301 1.465 20 0 GDADRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2c(Br)nc3n2CCOC3)C12CCC2 ZINC000864070007 655889203 /nfs/dbraw/zinc/88/92/03/655889203.db2.gz KZPUHKDWZIYNIT-QWRGUYRKSA-N 1 0 383.290 1.778 20 0 GDADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2c(Br)nc3n2CCOC3)C12CCC2 ZINC000864070008 655889260 /nfs/dbraw/zinc/88/92/60/655889260.db2.gz KZPUHKDWZIYNIT-WDEREUQCSA-N 1 0 383.290 1.778 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000865046952 655910558 /nfs/dbraw/zinc/91/05/58/655910558.db2.gz DXGWAJHFCOGIII-UHFFFAOYSA-N 1 0 390.269 1.971 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2cncc(Br)c2n1 ZINC000865057270 655910972 /nfs/dbraw/zinc/91/09/72/655910972.db2.gz CGGANEKCHHPLRA-STQMWFEESA-N 1 0 391.269 1.985 20 0 GDADRO Cc1ccnc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1Br ZINC000865522913 655921157 /nfs/dbraw/zinc/92/11/57/655921157.db2.gz WKYDKZVPVTVKRI-DOMZBBRYSA-N 1 0 389.315 1.978 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000865586741 655922387 /nfs/dbraw/zinc/92/23/87/655922387.db2.gz GDKBYLJUKKDJAM-NSHDSACASA-N 1 0 388.253 1.725 20 0 GDADRO O=C(c1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1)N1CCCC1 ZINC000865625211 655923080 /nfs/dbraw/zinc/92/30/80/655923080.db2.gz XMOYFDDOSUQQBN-UHFFFAOYSA-N 1 0 378.416 1.989 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](O)[C@@H](C)O)CC1 ZINC000865739187 655925552 /nfs/dbraw/zinc/92/55/52/655925552.db2.gz TUZWVARSPPWPHF-WBMJQRKESA-N 1 0 385.302 1.693 20 0 GDADRO O=C1COC[C@]2(C[NH2+]Cc3cc(Cl)ccc3OC(F)F)COCCN12 ZINC000865801416 655927433 /nfs/dbraw/zinc/92/74/33/655927433.db2.gz XRRZCANSPRBINF-INIZCTEOSA-N 1 0 376.787 1.659 20 0 GDADRO CC(C)(C[NH2+]Cc1cc2c(c(Br)c1)OCO2)CS(N)(=O)=O ZINC000865814996 655927710 /nfs/dbraw/zinc/92/77/10/655927710.db2.gz ORKHTQTXOQWNMW-UHFFFAOYSA-N 1 0 379.276 1.582 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000865818377 655927922 /nfs/dbraw/zinc/92/79/22/655927922.db2.gz RQZPJOSXYOYWAI-UHFFFAOYSA-N 1 0 380.539 1.852 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(I)nn1C ZINC000866113330 655934633 /nfs/dbraw/zinc/93/46/33/655934633.db2.gz MADUKGMWTGXSCI-LLVKDONJSA-N 1 0 390.269 1.971 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(I)nn2C)C1 ZINC000866185977 655935508 /nfs/dbraw/zinc/93/55/08/655935508.db2.gz NSRLWBGOMGSVOM-NSHDSACASA-N 1 0 390.269 1.829 20 0 GDADRO Cn1cc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c(Br)n1 ZINC000866398263 655940045 /nfs/dbraw/zinc/94/00/45/655940045.db2.gz HJUAYSUVPQFZRJ-UHFFFAOYSA-N 1 0 379.324 1.725 20 0 GDADRO COC(C)(C)CC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866504222 655947727 /nfs/dbraw/zinc/94/77/27/655947727.db2.gz BKNXPCKYFSMNPF-CYBMUJFWSA-N 1 0 392.543 1.878 20 0 GDADRO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1sccc1Br ZINC000866554588 655949364 /nfs/dbraw/zinc/94/93/64/655949364.db2.gz IBNUPRZDFYOTMT-IINYFYTJSA-N 1 0 375.288 1.789 20 0 GDADRO Cn1cc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866658907 655952683 /nfs/dbraw/zinc/95/26/83/655952683.db2.gz ADCRWIQAYZQQKA-TZMCWYRMSA-N 1 0 384.322 1.263 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000866717835 655956482 /nfs/dbraw/zinc/95/64/82/655956482.db2.gz QRFRACGFVNCKCE-UHFFFAOYSA-N 1 0 393.351 1.924 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000866731501 655957064 /nfs/dbraw/zinc/95/70/64/655957064.db2.gz AMIZRZXSTQQXLT-QGZVFWFLSA-N 1 0 387.571 1.893 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000866764153 655960231 /nfs/dbraw/zinc/96/02/31/655960231.db2.gz KLUDQYDIPYVGSF-LLVKDONJSA-N 1 0 379.404 1.902 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1Br ZINC000866770128 655961099 /nfs/dbraw/zinc/96/10/99/655961099.db2.gz SYOHHJWXHRZOTP-MNOVXSKESA-N 1 0 377.308 1.478 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1)C(F)(F)F ZINC000866772159 655961586 /nfs/dbraw/zinc/96/15/86/655961586.db2.gz QENSMGMNYUUKQO-CQSZACIVSA-N 1 0 377.388 1.704 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Br)n1 ZINC000866775516 655962033 /nfs/dbraw/zinc/96/20/33/655962033.db2.gz GOTYGJJZDGCLQU-GFCCVEGCSA-N 1 0 391.335 1.583 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)c(Br)n1 ZINC000866779669 655962748 /nfs/dbraw/zinc/96/27/48/655962748.db2.gz QZAMXRDYQMEQEC-UHFFFAOYSA-N 1 0 385.287 1.783 20 0 GDADRO O=S(=O)(NCc1cccc2c1CC[NH2+]C2)c1cncc(Br)c1 ZINC000866783713 655963256 /nfs/dbraw/zinc/96/32/56/655963256.db2.gz SPQRGZXRVPVEFU-UHFFFAOYSA-N 1 0 382.283 1.968 20 0 GDADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000866795382 655964609 /nfs/dbraw/zinc/96/46/09/655964609.db2.gz WBAVKIFUHGKYBS-UHFFFAOYSA-N 1 0 377.388 1.832 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000866797072 655964673 /nfs/dbraw/zinc/96/46/73/655964673.db2.gz OUEZFJMEACCPLJ-GFCCVEGCSA-N 1 0 389.543 1.703 20 0 GDADRO Cn1cc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(Br)n1 ZINC000866798919 655964939 /nfs/dbraw/zinc/96/49/39/655964939.db2.gz LJMPVSPQMYQKEU-NSHDSACASA-N 1 0 381.340 1.827 20 0 GDADRO COCCC1(NS(=O)(=O)c2ccc(OCC(F)F)cc2)CC[NH2+]CC1 ZINC000866821610 655967105 /nfs/dbraw/zinc/96/71/05/655967105.db2.gz MJHYETBZQXGGSU-UHFFFAOYSA-N 1 0 378.441 1.768 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cnn(C)c1Br ZINC000866882525 655973346 /nfs/dbraw/zinc/97/33/46/655973346.db2.gz RFJCTHOOPJQAPW-NSHDSACASA-N 1 0 379.324 1.678 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000866972676 655983356 /nfs/dbraw/zinc/98/33/56/655983356.db2.gz UXNGGBFSNPVPET-IAGOWNOFSA-N 1 0 385.555 1.945 20 0 GDADRO CN(C1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1N(C)S(=O)(=O)N=S(C)(C)=O ZINC000867010199 655986920 /nfs/dbraw/zinc/98/69/20/655986920.db2.gz MKSGCZQHFVJHEK-JKSUJKDBSA-N 1 0 394.607 1.228 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000867074305 655993665 /nfs/dbraw/zinc/99/36/65/655993665.db2.gz AUTDFJSFICCWRN-RFGFWPKPSA-N 1 0 389.587 1.937 20 0 GDADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cn(C)nc1Br ZINC000867109295 655996202 /nfs/dbraw/zinc/99/62/02/655996202.db2.gz JIGQLKASUDSMRV-UHFFFAOYSA-N 1 0 381.340 1.925 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867121201 655998277 /nfs/dbraw/zinc/99/82/77/655998277.db2.gz MTOSUCQJWSBUKS-NSHDSACASA-N 1 0 381.329 1.693 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 ZINC000867191584 656009366 /nfs/dbraw/zinc/00/93/66/656009366.db2.gz RDDDIXIVHDSIMV-JCQPUDPBSA-N 1 0 377.507 1.943 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000867191587 656009414 /nfs/dbraw/zinc/00/94/14/656009414.db2.gz RDDDIXIVHDSIMV-ZLOXQWCVSA-N 1 0 377.507 1.943 20 0 GDADRO Cn1cc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(Br)n1 ZINC000867206326 656013439 /nfs/dbraw/zinc/01/34/39/656013439.db2.gz FPXJGSZCYULXPO-NSHDSACASA-N 1 0 379.324 1.581 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cn(C)nc1Br ZINC000867261912 656025081 /nfs/dbraw/zinc/02/50/81/656025081.db2.gz ONZBZJJQCYWICT-WDEREUQCSA-N 1 0 377.308 1.430 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867451360 656063586 /nfs/dbraw/zinc/06/35/86/656063586.db2.gz VPVYDHLZZTVEIO-VIFPVBQESA-N 1 0 381.285 1.129 20 0 GDADRO NC(=O)c1ccc(Br)c(OS(=O)(=O)CCC[NH+]2CCCC2)c1 ZINC000867452344 656063900 /nfs/dbraw/zinc/06/39/00/656063900.db2.gz CTRFLJGPZSFFKR-UHFFFAOYSA-N 1 0 391.287 1.743 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000867455115 656064336 /nfs/dbraw/zinc/06/43/36/656064336.db2.gz FNGNTVHIMCHJCJ-XMHCIUCPSA-N 1 0 381.951 1.937 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867524851 656076243 /nfs/dbraw/zinc/07/62/43/656076243.db2.gz QCWKWVODPZENEH-HNNXBMFYSA-N 1 0 397.317 1.793 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1Br ZINC000867541177 656080942 /nfs/dbraw/zinc/08/09/42/656080942.db2.gz ZDQZQBHLPHGLOE-GFCCVEGCSA-N 1 0 391.335 1.583 20 0 GDADRO Cn1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(Br)n1 ZINC000867555018 656082780 /nfs/dbraw/zinc/08/27/80/656082780.db2.gz FMOICTRKUGNVLJ-LBPRGKRZSA-N 1 0 391.335 1.868 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccccc2N=S(C)(C)=O)CC1 ZINC000867569910 656086389 /nfs/dbraw/zinc/08/63/89/656086389.db2.gz AGYVBFGCUBXMMO-UHFFFAOYSA-N 1 0 389.543 1.392 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCc3csc(C(F)(F)F)c3)CC[C@@H]21 ZINC000867798820 656117902 /nfs/dbraw/zinc/11/79/02/656117902.db2.gz HWCQGSBLWNLTNP-NEPJUHHUSA-N 1 0 375.416 1.936 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@@](C)(C[NH3+])C2CC2)c1I ZINC000867965578 656135931 /nfs/dbraw/zinc/13/59/31/656135931.db2.gz FXDOODGEJZSZGH-ZDUSSCGKSA-N 1 0 376.242 1.926 20 0 GDADRO Cn1cc(N2CCC[C@@H](NC(=O)[C@H]([NH3+])c3cccc(Br)c3)C2)cn1 ZINC000867963897 656135965 /nfs/dbraw/zinc/13/59/65/656135965.db2.gz YAUKCXGFDDDMIC-GDBMZVCRSA-N 1 0 392.301 1.968 20 0 GDADRO C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Br)C1CC[NH2+]CC1 ZINC000868003212 656137252 /nfs/dbraw/zinc/13/72/52/656137252.db2.gz RJUSTUPIGQNDFI-SNVBAGLBSA-N 1 0 389.315 1.971 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C1CC[NH2+]CC1 ZINC000868011188 656137544 /nfs/dbraw/zinc/13/75/44/656137544.db2.gz BJTKVAXSPRYTTE-DZGCQCFKSA-N 1 0 385.555 1.796 20 0 GDADRO O=C(NCc1ncc(Br)s1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000868217584 656144440 /nfs/dbraw/zinc/14/44/40/656144440.db2.gz TVRMZVAXUCGLPX-UWVGGRQHSA-N 1 0 375.292 1.568 20 0 GDADRO COC[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1cccc(Br)c1 ZINC000868235767 656145432 /nfs/dbraw/zinc/14/54/32/656145432.db2.gz HCCRKTBYIXIQTG-CVEARBPZSA-N 1 0 399.333 1.682 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868247233 656146024 /nfs/dbraw/zinc/14/60/24/656146024.db2.gz ASHUOFKVERJQQX-UHFFFAOYSA-N 1 0 391.063 1.486 20 0 GDADRO C[C@@H](CNC(=O)NCc1ncc(Br)s1)C[NH+]1CCN(C)CC1 ZINC000868359252 656151849 /nfs/dbraw/zinc/15/18/49/656151849.db2.gz WFXXJUPLPPNAHR-NSHDSACASA-N 1 0 390.351 1.588 20 0 GDADRO Cn1ncc(I)c1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000868367263 656152133 /nfs/dbraw/zinc/15/21/33/656152133.db2.gz IPQBSWCMXQZDAD-SNVBAGLBSA-N 1 0 391.257 1.166 20 0 GDADRO CCOC(=O)CS[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)C(F)(F)F ZINC000868367624 656152137 /nfs/dbraw/zinc/15/21/37/656152137.db2.gz RSHDMGZJYITSPH-RYUDHWBXSA-N 1 0 385.452 1.855 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H](COC)c2cccc(Br)c2)C1 ZINC000868386918 656153524 /nfs/dbraw/zinc/15/35/24/656153524.db2.gz KFJVOHKAWDIDMO-IUODEOHRSA-N 1 0 398.301 1.321 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1I ZINC000868522021 656159040 /nfs/dbraw/zinc/15/90/40/656159040.db2.gz YILQBCCNLKDKNW-PWSUYJOCSA-N 1 0 388.253 1.845 20 0 GDADRO C[NH+](C)C1(C)CCC(NC(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000869007746 656176951 /nfs/dbraw/zinc/17/69/51/656176951.db2.gz ISRQMZJINOLQSR-UHFFFAOYSA-N 1 0 388.559 1.589 20 0 GDADRO CCOC(=O)CS[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)C(F)(F)F ZINC000869171719 656183756 /nfs/dbraw/zinc/18/37/56/656183756.db2.gz PMXDKLIYQNRKEJ-VXGBXAGGSA-N 1 0 385.452 1.949 20 0 GDADRO O=C([C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000869194884 656184884 /nfs/dbraw/zinc/18/48/84/656184884.db2.gz KPXCVLSTSUQYCX-GMBUGEKQSA-N 1 0 377.282 1.612 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)NN2Cc3ccc(Br)cc3C2=O)cn1 ZINC000869400302 656194387 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[NH3+]C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1(F)F ZINC000876553719 656612930 /nfs/dbraw/zinc/61/29/30/656612930.db2.gz SJFWJVBTJWQEAF-CHWSQXEVSA-N 1 0 393.843 1.013 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876594157 656616178 /nfs/dbraw/zinc/61/61/78/656616178.db2.gz ZIPPKJPPNRVTGS-QWHCGFSZSA-N 1 0 379.404 1.245 20 0 GDADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)C1(F)F ZINC000876628311 656619258 /nfs/dbraw/zinc/61/92/58/656619258.db2.gz OUPKCJFEZZCECX-NOZJJQNGSA-N 1 0 375.778 1.604 20 0 GDADRO O=C(NCCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000876634896 656619802 /nfs/dbraw/zinc/61/98/02/656619802.db2.gz FYRYXEWMKMNGRW-GXTWGEPZSA-N 1 0 386.265 1.633 20 0 GDADRO C[S@](=O)C1(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)CC[NH2+]CC1 ZINC000876641432 656621132 /nfs/dbraw/zinc/62/11/32/656621132.db2.gz OOCUJCZFEIFVTF-BZQUYTCOSA-N 1 0 378.416 1.053 20 0 GDADRO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H](O)COc2ccccc2Br)C1(F)F 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ZVKXUZMHPMXIKY-JTQLQIEISA-N 1 0 382.205 1.555 20 0 GDADRO Nc1cc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc(Br)n1 ZINC000876920848 656640145 /nfs/dbraw/zinc/64/01/45/656640145.db2.gz DIXWEHDWFHSHCS-STQMWFEESA-N 1 0 383.290 1.785 20 0 GDADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cn3ccc(Br)cc3=O)CC2)C1 ZINC000876920719 656640244 /nfs/dbraw/zinc/64/02/44/656640244.db2.gz ATXBRLFCVKBJBD-GJZGRUSLSA-N 1 0 398.301 1.356 20 0 GDADRO CC(C)n1ncc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1Br ZINC000876934839 656640843 /nfs/dbraw/zinc/64/08/43/656640843.db2.gz JNZFKZUJTKTGGL-QWHCGFSZSA-N 1 0 381.278 1.527 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cn2ccc(Br)cc2=O)C1 ZINC000876950089 656641944 /nfs/dbraw/zinc/64/19/44/656641944.db2.gz DYYARLJLGJQSJS-QLFBSQMISA-N 1 0 398.301 1.498 20 0 GDADRO Nc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc(Br)n1 ZINC000876950251 656641947 /nfs/dbraw/zinc/64/19/47/656641947.db2.gz IVBMQQQKPSFBDD-UPJWGTAASA-N 1 0 383.290 1.927 20 0 GDADRO CCN(CC[NH3+])C(=O)[C@H](CCSC)NS(=O)(=O)/C=C\c1ccccc1 ZINC000877008239 656645758 /nfs/dbraw/zinc/64/57/58/656645758.db2.gz NQFOCOQCQUMHIT-DNXIFWLFSA-N 1 0 385.555 1.506 20 0 GDADRO CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000877017663 656646339 /nfs/dbraw/zinc/64/63/39/656646339.db2.gz VSXCMZDPGHFEKU-SKDRFNHKSA-N 1 0 382.379 1.829 20 0 GDADRO C[NH2+]CCOCCNC(=O)c1c(C)c2cc(Br)ccc2oc1=O ZINC000877025883 656647219 /nfs/dbraw/zinc/64/72/19/656647219.db2.gz ZAWLXDYULMHCLG-UHFFFAOYSA-N 1 0 383.242 1.830 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1Cl ZINC000877048079 656649130 /nfs/dbraw/zinc/64/91/30/656649130.db2.gz HSVYIYWWNYNWBU-ZYHUDNBSSA-N 1 0 375.878 1.392 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C[NH2+]1 ZINC000877048112 656649226 /nfs/dbraw/zinc/64/92/26/656649226.db2.gz HFFDNTVPLRYVIB-GXTWGEPZSA-N 1 0 385.917 1.995 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000877048497 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[NH3+][C@@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)ccc(Br)c3C2)C1 ZINC000926435911 656755304 /nfs/dbraw/zinc/75/53/04/656755304.db2.gz PSZSNRULCARBKU-SECBINFHSA-N 1 0 386.677 1.547 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cs1)C(N)=O ZINC000879022808 656768998 /nfs/dbraw/zinc/76/89/98/656768998.db2.gz ZTYXIKFIAKQQFY-GXTWGEPZSA-N 1 0 384.571 1.842 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000879090953 656773143 /nfs/dbraw/zinc/77/31/43/656773143.db2.gz CPVQPEJVYZGULX-GZBFAFLISA-N 1 0 385.555 1.577 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000926783205 656779461 /nfs/dbraw/zinc/77/94/61/656779461.db2.gz DIUJUXRSMFZSBK-UONOGXRCSA-N 1 0 377.551 1.987 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000879249331 656784357 /nfs/dbraw/zinc/78/43/57/656784357.db2.gz NIBSMXBZMUPHJC-OSAQELSMSA-N 1 0 385.306 1.435 20 0 GDADRO CS[C@@H]1CN(C(=O)Cc2csc(S[C@H](C)C(N)=O)n2)C[C@@H]1[NH+](C)C 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375.338 1.097 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C(=O)Cc2c(Br)cnn2C)CC1 ZINC000879844966 656834785 /nfs/dbraw/zinc/83/47/85/656834785.db2.gz IQJJEHBDAKVEIW-UHFFFAOYSA-N 1 0 394.273 1.478 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000927814888 656841662 /nfs/dbraw/zinc/84/16/62/656841662.db2.gz KCDMRFHSUGTMMU-SFYZADRCSA-N 1 0 375.654 1.408 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000927815762 656841740 /nfs/dbraw/zinc/84/17/40/656841740.db2.gz QFLVVUHGWYFLDR-ZJUUUORDSA-N 1 0 375.803 1.894 20 0 GDADRO O=C(Nc1ccc(Br)nc1)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000927822561 656842380 /nfs/dbraw/zinc/84/23/80/656842380.db2.gz SASXKBDFNUMTHP-LBPRGKRZSA-N 1 0 397.273 1.058 20 0 GDADRO [NH3+]CCOc1cccc(NC(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000927858406 656846241 /nfs/dbraw/zinc/84/62/41/656846241.db2.gz QSPGUNKUCGBMRR-GFCCVEGCSA-N 1 0 377.388 1.469 20 0 GDADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000927876572 656848741 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COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000927891005 656851730 /nfs/dbraw/zinc/85/17/30/656851730.db2.gz KXABPSYZZYTBHS-QWRGUYRKSA-N 1 0 384.274 1.840 20 0 GDADRO Cn1cc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c(Br)n1 ZINC000880064340 656863621 /nfs/dbraw/zinc/86/36/21/656863621.db2.gz ACZZKJNGKGLFTD-UHFFFAOYSA-N 1 0 386.294 1.901 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000928078342 656867884 /nfs/dbraw/zinc/86/78/84/656867884.db2.gz JOYJYHZTAXTHFS-REWJHTLYSA-N 1 0 382.448 1.666 20 0 GDADRO Cc1sc2ncc(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)c(=O)n2c1C ZINC000928091085 656870337 /nfs/dbraw/zinc/87/03/37/656870337.db2.gz PBXHFCFUAHNWTM-ZIAGYGMSSA-N 1 0 378.523 1.682 20 0 GDADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928095910 656871437 /nfs/dbraw/zinc/87/14/37/656871437.db2.gz VTHZDPQQEXHPRO-BZUAXINKSA-N 1 0 389.587 1.277 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS[C@H](C(F)(F)F)C1 ZINC000928140535 656878239 /nfs/dbraw/zinc/87/82/39/656878239.db2.gz HXQBRJGLSRBODG-QWRGUYRKSA-N 1 0 385.452 1.948 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC[N@@H+]1C ZINC000928443774 656902575 /nfs/dbraw/zinc/90/25/75/656902575.db2.gz GKECVDIFSGACJB-NWDGAFQWSA-N 1 0 389.568 1.308 20 0 GDADRO Cn1ncc(Br)c1CC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000880660067 656902823 /nfs/dbraw/zinc/90/28/23/656902823.db2.gz YBOWPWYEHKAMGT-UHFFFAOYSA-N 1 0 399.333 1.732 20 0 GDADRO C[C@@H]1[C@H](NC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC[N@@H+]1C ZINC000928453107 656903795 /nfs/dbraw/zinc/90/37/95/656903795.db2.gz IGOPJZBPQJBYCR-DGCLKSJQSA-N 1 0 396.285 1.773 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000928458315 656904397 /nfs/dbraw/zinc/90/43/97/656904397.db2.gz WQKSLUDAHQMZGK-ABAIWWIYSA-N 1 0 389.905 1.087 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000880849576 656910821 /nfs/dbraw/zinc/91/08/21/656910821.db2.gz DZBOOFFTHLOVBP-UHFFFAOYSA-N 1 0 385.306 1.438 20 0 GDADRO COCC[C@@H]([NH3+])Cc1cn(Cc2cc(Br)ccc2C(=O)OC)nn1 ZINC000881338700 656928627 /nfs/dbraw/zinc/92/86/27/656928627.db2.gz BDWUOQPBEYWIIA-CYBMUJFWSA-N 1 0 397.273 1.782 20 0 GDADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3cn(C)nc3Br)nn2)n1 ZINC000881389871 656932457 /nfs/dbraw/zinc/93/24/57/656932457.db2.gz GTYQWKJYFXYMGD-UHFFFAOYSA-N 1 0 379.266 1.177 20 0 GDADRO CC(C)[C@H]1CN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC[N@@H+]1C ZINC000881439732 656937640 /nfs/dbraw/zinc/93/76/40/656937640.db2.gz PQEYVEHTVZCDKJ-UKRRQHHQSA-N 1 0 385.555 1.386 20 0 GDADRO Cn1ncc(I)c1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000881448264 656938150 /nfs/dbraw/zinc/93/81/50/656938150.db2.gz LQMGFRRBQMROMX-LLVKDONJSA-N 1 0 390.269 1.905 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000928946151 656943628 /nfs/dbraw/zinc/94/36/28/656943628.db2.gz RQVPDOZYCOADNS-HNNXBMFYSA-N 1 0 396.333 1.930 20 0 GDADRO CCO[C@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)C[NH+](C)C ZINC000929122032 656948798 /nfs/dbraw/zinc/94/87/98/656948798.db2.gz QKXMXLFNDKANLY-CYBMUJFWSA-N 1 0 376.284 1.693 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccccc1I ZINC000929134740 656949368 /nfs/dbraw/zinc/94/93/68/656949368.db2.gz DEZZXCWUUROZQR-UHFFFAOYSA-N 1 0 389.237 1.869 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000881786019 656958406 /nfs/dbraw/zinc/95/84/06/656958406.db2.gz OYIXRYOFTCTZNK-DEOSSOPVSA-N 1 0 394.607 1.279 20 0 GDADRO CCO[C@@H](CNC(=O)C(=O)NCc1ccccc1Br)C[NH+](C)C ZINC000929329736 656960751 /nfs/dbraw/zinc/96/07/51/656960751.db2.gz RYOGNELRNUYVFC-ZDUSSCGKSA-N 1 0 386.290 1.148 20 0 GDADRO CN(C)[S@@](C)(=O)=NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000881822877 656966714 /nfs/dbraw/zinc/96/67/14/656966714.db2.gz BLHKJPKKUSUIPR-GYCJOSAFSA-N 1 0 388.559 1.307 20 0 GDADRO CCC[C@@H](C(=O)OCC)S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000881899684 656985780 /nfs/dbraw/zinc/98/57/80/656985780.db2.gz CQZDHVULXPFFQC-HOTGVXAUSA-N 1 0 376.519 1.281 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C ZINC000881931956 656996004 /nfs/dbraw/zinc/99/60/04/656996004.db2.gz CYBAQNWMJVEGFX-WDNXAPGXSA-N 1 0 388.559 1.507 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000930017432 656996198 /nfs/dbraw/zinc/99/61/98/656996198.db2.gz IECOXVHUJBMKRA-RBSFLKMASA-N 1 0 375.535 1.503 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCCCC[C@@H]2CCO)CCC1 ZINC000930369619 657019319 /nfs/dbraw/zinc/01/93/19/657019319.db2.gz DGWGUSYFZACEAX-CVEARBPZSA-N 1 0 376.563 1.615 20 0 GDADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CC[S@@](=O)C(F)(F)F)CC1 ZINC000930496573 657030252 /nfs/dbraw/zinc/03/02/52/657030252.db2.gz DMDPRPMYJKXLHJ-KPWVOAKYSA-N 1 0 378.482 1.637 20 0 GDADRO CN(C)c1cc[nH+]c(CNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000930561926 657034687 /nfs/dbraw/zinc/03/46/87/657034687.db2.gz XKPLCULRMJSWOZ-RBSFLKMASA-N 1 0 380.539 1.260 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CC[C@H](O)CC(C)(C)C2)CCC1 ZINC000930651161 657040610 /nfs/dbraw/zinc/04/06/10/657040610.db2.gz RHMFISYZQBJMKG-GJZGRUSLSA-N 1 0 376.563 1.471 20 0 GDADRO CO[C@@](C)([C@@H](C)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1CC1 ZINC000930717590 657044981 /nfs/dbraw/zinc/04/49/81/657044981.db2.gz KLRXERMAQGWAHP-KMFMINBZSA-N 1 0 376.563 1.781 20 0 GDADRO CS[C@H]1CN(c2ccc3nnc(Br)n3n2)C[C@H]1[NH+]1CCCC1 ZINC000882200613 657070132 /nfs/dbraw/zinc/07/01/32/657070132.db2.gz KOMAAOGQPRYROY-MNOVXSKESA-N 1 0 383.319 1.903 20 0 GDADRO C[NH+]1CCC(OCC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000931148320 657073665 /nfs/dbraw/zinc/07/36/65/657073665.db2.gz VQLQBZHHEJWMEZ-HNNXBMFYSA-N 1 0 384.274 1.203 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000882252568 657084573 /nfs/dbraw/zinc/08/45/73/657084573.db2.gz WOGSGTAKBACBTA-IZHWHUGBSA-N 1 0 388.559 1.556 20 0 GDADRO CN(C)[S@](C)(=O)=NS(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000882315119 657096688 /nfs/dbraw/zinc/09/66/88/657096688.db2.gz NTWFTLUHQSOGPW-ZAMGYDSWSA-N 1 0 396.966 1.394 20 0 GDADRO COC1(OC)CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H]1O ZINC000931641883 657115678 /nfs/dbraw/zinc/11/56/78/657115678.db2.gz JUTZXEAEBXBDJJ-XHDPSFHLSA-N 1 0 380.268 1.789 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)C1 ZINC000931684672 657120471 /nfs/dbraw/zinc/12/04/71/657120471.db2.gz MOFXPZHKQHGYKO-GASCZTMLSA-N 1 0 389.315 1.280 20 0 GDADRO O[C@H](C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)C[C@]1(O)CCOC1 ZINC000931685447 657120633 /nfs/dbraw/zinc/12/06/33/657120633.db2.gz RSAZXFHXMQLFQW-MWDXBVQZSA-N 1 0 386.286 1.291 20 0 GDADRO CC[N@@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000882481227 657131578 /nfs/dbraw/zinc/13/15/78/657131578.db2.gz GFSMXDHGLIGFPT-GFCCVEGCSA-N 1 0 379.404 1.194 20 0 GDADRO COC(C)(C)[C@H](C)[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000932368865 657181005 /nfs/dbraw/zinc/18/10/05/657181005.db2.gz BOVZWPOHJBJAFR-NSHDSACASA-N 1 0 386.290 1.907 20 0 GDADRO CC[N@H+](CCC(N)=O)CC(=O)Nc1ccccc1I ZINC000932481498 657188865 /nfs/dbraw/zinc/18/88/65/657188865.db2.gz WKYOSOBVMUOCJT-UHFFFAOYSA-N 1 0 375.210 1.427 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1COC[C@H]1C ZINC000932493123 657190512 /nfs/dbraw/zinc/19/05/12/657190512.db2.gz WZYWFUDUXBPITQ-ZIAGYGMSSA-N 1 0 375.512 1.269 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(Br)c2nccnc2c1 ZINC000932524178 657194046 /nfs/dbraw/zinc/19/40/46/657194046.db2.gz DMUJOEDLYSRPKT-LBPRGKRZSA-N 1 0 378.274 1.368 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000932704409 657211526 /nfs/dbraw/zinc/21/15/26/657211526.db2.gz UHFMABIWTWVYHF-CYBMUJFWSA-N 1 0 394.317 1.853 20 0 GDADRO C[C@H](CNC(=O)c1cc2cc(Br)cnc2n1C)N1CC[NH+](C)CC1 ZINC000932724043 657214331 /nfs/dbraw/zinc/21/43/31/657214331.db2.gz WYEMFVLDFWNAET-GFCCVEGCSA-N 1 0 394.317 1.702 20 0 GDADRO CNC(=O)NC(=O)[C@@H](C)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932811191 657223612 /nfs/dbraw/zinc/22/36/12/657223612.db2.gz GZHNCXLJJWGJNS-BDJLRTHQSA-N 1 0 384.274 1.577 20 0 GDADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cc3c(c(Br)c1)OCO3)CC2 ZINC000932839367 657227219 /nfs/dbraw/zinc/22/72/19/657227219.db2.gz LOSNZJLOIKBZLX-LBPRGKRZSA-N 1 0 397.269 1.641 20 0 GDADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)[nH]c1=O ZINC000933166789 657262635 /nfs/dbraw/zinc/26/26/35/657262635.db2.gz YAFYCHSQPPEOST-LLVKDONJSA-N 1 0 384.274 1.780 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@]23C[C@H]2COC32CCC2)c1 ZINC000933389510 657275764 /nfs/dbraw/zinc/27/57/64/657275764.db2.gz AOPSKPNWLYUIFZ-APPDUMDISA-N 1 0 384.885 1.983 20 0 GDADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCCOC1 ZINC000883221125 657277713 /nfs/dbraw/zinc/27/77/13/657277713.db2.gz UYIPUYASWGSHKO-IUODEOHRSA-N 1 0 378.441 1.274 20 0 GDADRO CN(CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2)CCOCCO ZINC000883350250 657283279 /nfs/dbraw/zinc/28/32/79/657283279.db2.gz AEHUGBNZDYXXOB-UHFFFAOYSA-N 1 0 389.290 1.251 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCc1sccc1Br ZINC000883386057 657285206 /nfs/dbraw/zinc/28/52/06/657285206.db2.gz YQWONLVLYKSNJV-NSHDSACASA-N 1 0 375.336 1.598 20 0 GDADRO C[NH2+]CCN(C)S(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 ZINC000883467739 657288155 /nfs/dbraw/zinc/28/81/55/657288155.db2.gz XZPWQGZTMTYHGP-UHFFFAOYSA-N 1 0 390.303 1.564 20 0 GDADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc1 ZINC000883470750 657289038 /nfs/dbraw/zinc/28/90/38/657289038.db2.gz GJGHUEGGTBDMBU-VMPITWQZSA-N 1 0 380.388 1.775 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000883473656 657290364 /nfs/dbraw/zinc/29/03/64/657290364.db2.gz HJWNZZQYTVYPSQ-SECBINFHSA-N 1 0 386.948 1.568 20 0 GDADRO CC(C)(C)S(=O)(=O)CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883473194 657290502 /nfs/dbraw/zinc/29/05/02/657290502.db2.gz TXQDFKARRKOTEI-HNNXBMFYSA-N 1 0 375.535 1.142 20 0 GDADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933701263 657299520 /nfs/dbraw/zinc/29/95/20/657299520.db2.gz WYNLJROQOHSRMZ-NFAWXSAZSA-N 1 0 387.933 1.716 20 0 GDADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933703868 657299875 /nfs/dbraw/zinc/29/98/75/657299875.db2.gz PMZYPHPMGUKORS-VNHYZAJKSA-N 1 0 385.555 1.440 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)Nc1cnn(C)c1I ZINC000933732999 657305160 /nfs/dbraw/zinc/30/51/60/657305160.db2.gz YEERFLCINLJDPU-UHFFFAOYSA-N 1 0 395.245 1.067 20 0 GDADRO C[C@@H]1CN(C(=O)NCC[S@@](=O)CC(F)(F)F)CCN1c1cc[nH+]cc1 ZINC000883716206 657307483 /nfs/dbraw/zinc/30/74/83/657307483.db2.gz DQBHOWZKKKWMGW-XELLLNAOSA-N 1 0 378.420 1.613 20 0 GDADRO O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883770757 657311353 /nfs/dbraw/zinc/31/13/53/657311353.db2.gz ZZNQHVSXBWCMSE-ZJWNCGCPSA-N 1 0 385.452 1.240 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cnn(C)c1I ZINC000933741610 657315384 /nfs/dbraw/zinc/31/53/84/657315384.db2.gz YMFDSPZSKZPYPU-VIFPVBQESA-N 1 0 377.230 1.583 20 0 GDADRO CCCN(C(=O)Nc1cnn(C)c1I)[C@@H]1CC[N@H+](C)C1 ZINC000933743285 657316551 /nfs/dbraw/zinc/31/65/51/657316551.db2.gz YGNWENPQIYPSAW-SNVBAGLBSA-N 1 0 391.257 1.973 20 0 GDADRO C[C@H](Sc1nc(CC(=O)Nc2ccc3c(c2)C[NH2+]CC3)cs1)C(N)=O ZINC000884031972 657321511 /nfs/dbraw/zinc/32/15/11/657321511.db2.gz FGATYBRDUIUVIJ-JTQLQIEISA-N 1 0 376.507 1.936 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000933838887 657322531 /nfs/dbraw/zinc/32/25/31/657322531.db2.gz RGQAVPLVUOEDMX-GFCCVEGCSA-N 1 0 396.285 1.448 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1 ZINC000933839231 657322740 /nfs/dbraw/zinc/32/27/40/657322740.db2.gz VLLHJZFPPWMLNM-UHFFFAOYSA-N 1 0 384.267 1.761 20 0 GDADRO CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)C1 ZINC000933854273 657323087 /nfs/dbraw/zinc/32/30/87/657323087.db2.gz VRGRLRYXRXIXEL-CYBMUJFWSA-N 1 0 382.555 1.608 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1)C(N)=O ZINC000884238988 657339171 /nfs/dbraw/zinc/33/91/71/657339171.db2.gz LFMQHEAVHYMFBU-OBJOEFQTSA-N 1 0 382.555 1.642 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)C(F)F ZINC000884297711 657343427 /nfs/dbraw/zinc/34/34/27/657343427.db2.gz WEHOXPGCNFVJNF-GHMZBOCLSA-N 1 0 377.185 1.629 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884302565 657343940 /nfs/dbraw/zinc/34/39/40/657343940.db2.gz UAZVUUYFBOKIKD-GXTWGEPZSA-N 1 0 383.242 1.025 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000884382395 657351907 /nfs/dbraw/zinc/35/19/07/657351907.db2.gz IIVHDDOVJWQRKK-SLEUVZQESA-N 1 0 385.306 1.470 20 0 GDADRO [NH3+][C@H](C(=O)NC[C@H](n1cncn1)C(F)(F)F)c1ccc(Br)cc1 ZINC000884453942 657358609 /nfs/dbraw/zinc/35/86/09/657358609.db2.gz CBGWHOXQJQQDLK-QWRGUYRKSA-N 1 0 392.179 1.960 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)NCCc1ccccc1Cl)C2 ZINC000884498499 657361233 /nfs/dbraw/zinc/36/12/33/657361233.db2.gz DBLPUTFTQFFKJK-UHFFFAOYSA-N 1 0 378.885 1.499 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN[C@](C)(CO)c1cccc(Br)c1 ZINC000934494465 657363631 /nfs/dbraw/zinc/36/36/31/657363631.db2.gz IZOFLAKZXLOVKA-JKSUJKDBSA-N 1 0 375.307 1.185 20 0 GDADRO C[C@@](CO)([NH2+]C[C@H](O)COC1CCOCC1)c1cccc(Br)c1 ZINC000934497990 657364506 /nfs/dbraw/zinc/36/45/06/657364506.db2.gz VCQOJFQOCYRMLJ-RDJZCZTQSA-N 1 0 388.302 1.803 20 0 GDADRO COCC[N@H+](CCC(=O)OC(C)(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000934523908 657365054 /nfs/dbraw/zinc/36/50/54/657365054.db2.gz NAMJQHWWYWVYAG-OAHLLOKOSA-N 1 0 378.535 1.338 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)Oc1cccc(Br)c1 ZINC000884621719 657367367 /nfs/dbraw/zinc/36/73/67/657367367.db2.gz QRJDBLDOOHFCDI-LOWVWBTDSA-N 1 0 384.274 1.281 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000934736900 657372607 /nfs/dbraw/zinc/37/26/07/657372607.db2.gz VYSHSHABKRYIJJ-UHFFFAOYSA-N 1 0 385.306 1.486 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1cccc(Br)c1 ZINC000884694484 657373440 /nfs/dbraw/zinc/37/34/40/657373440.db2.gz NZYSKEJYPOFBAF-HUUCEWRRSA-N 1 0 398.301 1.511 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000884726444 657376258 /nfs/dbraw/zinc/37/62/58/657376258.db2.gz SKVASXQMILWWPD-SOUVJXGZSA-N 1 0 394.313 1.878 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000884729055 657376320 /nfs/dbraw/zinc/37/63/20/657376320.db2.gz GWBDLJOFAWGYDR-NWDGAFQWSA-N 1 0 382.302 1.839 20 0 GDADRO COCc1csc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000884782692 657379550 /nfs/dbraw/zinc/37/95/50/657379550.db2.gz KGIBXERXEIRXMY-ZYHUDNBSSA-N 1 0 379.404 1.106 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C[NH2+]1 ZINC000884817628 657380595 /nfs/dbraw/zinc/38/05/95/657380595.db2.gz PKRGCVOGHIUVMB-SWLSCSKDSA-N 1 0 394.313 1.854 20 0 GDADRO CC1(C)CC[C@H](CNC(=O)C(=O)NCc2ccc(Br)cn2)[NH2+]C1 ZINC000884873413 657383158 /nfs/dbraw/zinc/38/31/58/657383158.db2.gz FJDBOPBFHHXFPJ-CYBMUJFWSA-N 1 0 383.290 1.355 20 0 GDADRO Cc1ccc(Br)c(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000934897189 657385849 /nfs/dbraw/zinc/38/58/49/657385849.db2.gz XSTJMTHWWGJBFN-CQSZACIVSA-N 1 0 395.301 1.531 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884954653 657389785 /nfs/dbraw/zinc/38/97/85/657389785.db2.gz IAVZITGHKUVNBU-ZIAGYGMSSA-N 1 0 385.917 1.947 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935053056 657396308 /nfs/dbraw/zinc/39/63/08/657396308.db2.gz YRQAVPHPEBVDMH-LRDDRELGSA-N 1 0 384.274 1.304 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000884990760 657397296 /nfs/dbraw/zinc/39/72/96/657397296.db2.gz LGPZMNFUQMXXKP-SKDRFNHKSA-N 1 0 375.803 1.753 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(Br)cn3ncnc23)C[C@@H]1[NH+](C)C ZINC000935112211 657402896 /nfs/dbraw/zinc/40/28/96/657402896.db2.gz WKAVRAWRYPPAMO-NWDGAFQWSA-N 1 0 384.303 1.609 20 0 GDADRO C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2ccc(-n3cccn3)cc2)CCSC1 ZINC000885042600 657413564 /nfs/dbraw/zinc/41/35/64/657413564.db2.gz ULVCRYVUJLJTJU-QGZVFWFLSA-N 1 0 380.539 1.729 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1Br ZINC000885096094 657418090 /nfs/dbraw/zinc/41/80/90/657418090.db2.gz GMIOXDREAXNGRT-SUMWQHHRSA-N 1 0 380.286 1.442 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1Br ZINC000885096835 657418589 /nfs/dbraw/zinc/41/85/89/657418589.db2.gz OHEHHFPAEBOLIZ-GJZGRUSLSA-N 1 0 380.286 1.727 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000885096689 657418700 /nfs/dbraw/zinc/41/87/00/657418700.db2.gz MYRNMPYGTCCRGE-OCCSQVGLSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCc2sccc2Br)C1 ZINC000885210235 657429197 /nfs/dbraw/zinc/42/91/97/657429197.db2.gz NOTMULQERAKSJI-GHMZBOCLSA-N 1 0 388.331 1.755 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(Br)cn3ncnc23)CC[N@@H+]1CC(C)(C)O ZINC000935541556 657446880 /nfs/dbraw/zinc/44/68/80/657446880.db2.gz BQHZGSYBTMWAKH-NSHDSACASA-N 1 0 396.289 1.409 20 0 GDADRO Cn1c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc2cc(Br)cnc21 ZINC000935679911 657466474 /nfs/dbraw/zinc/46/64/74/657466474.db2.gz MPTQKNDLVJXERQ-KRWDZBQOSA-N 1 0 395.301 1.865 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(=O)[nH]cc1Br ZINC000935697357 657470226 /nfs/dbraw/zinc/47/02/26/657470226.db2.gz OOIDKIALBHEHER-NSHDSACASA-N 1 0 384.274 1.875 20 0 GDADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@@H](CO)C[NH+]1CCCC1 ZINC000935983248 657534478 /nfs/dbraw/zinc/53/44/78/657534478.db2.gz BJBVGSVDHZZAIL-DGCLKSJQSA-N 1 0 396.285 1.448 20 0 GDADRO CN1C(=O)C[C@@H](NS(=O)(=O)CCC[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000885831844 657576922 /nfs/dbraw/zinc/57/69/22/657576922.db2.gz WPDUPAGFDRIDBM-ZBFHGGJFSA-N 1 0 375.441 1.108 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC000885845970 657579065 /nfs/dbraw/zinc/57/90/65/657579065.db2.gz XFFLFUQLFYMLLB-LBPRGKRZSA-N 1 0 381.479 1.829 20 0 GDADRO Cn1cc(Br)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1=O ZINC000885895895 657585223 /nfs/dbraw/zinc/58/52/23/657585223.db2.gz PMWIBGYMAAGOJQ-GFCCVEGCSA-N 1 0 384.274 1.131 20 0 GDADRO O=S(=O)(NCC[NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000885949439 657588288 /nfs/dbraw/zinc/58/82/88/657588288.db2.gz YAQLAXRXYUOFSW-HNNXBMFYSA-N 1 0 388.917 1.936 20 0 GDADRO O=C(N1CCn2ncc(I)c2C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000886196959 657605330 /nfs/dbraw/zinc/60/53/30/657605330.db2.gz HPWFIVAWOIOPHI-AWEZNQCLSA-N 1 0 386.237 1.316 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)c1nc(Cl)cs1 ZINC000999572637 657663521 /nfs/dbraw/zinc/66/35/21/657663521.db2.gz NOEJGNBVCALTDD-WOPDTQHZSA-N 1 0 380.901 1.754 20 0 GDADRO C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cncc(Br)c1 ZINC000886701287 657682112 /nfs/dbraw/zinc/68/21/12/657682112.db2.gz NHRPXVZXFMLELV-JTQLQIEISA-N 1 0 377.246 1.479 20 0 GDADRO OCCOCC1(O)CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000886748894 657690877 /nfs/dbraw/zinc/69/08/77/657690877.db2.gz BXVMNLAAOSYLRT-UHFFFAOYSA-N 1 0 392.265 1.803 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+](CCNS(C)(=O)=O)C2 ZINC000886887984 657718374 /nfs/dbraw/zinc/71/83/74/657718374.db2.gz NPDBFAPKLIJBPT-KRWDZBQOSA-N 1 0 375.535 1.649 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@H+](CCCS(N)(=O)=O)C2 ZINC000886887973 657718412 /nfs/dbraw/zinc/71/84/12/657718412.db2.gz NFCHFLOQDIYYSI-QGZVFWFLSA-N 1 0 375.535 1.778 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000886892073 657720426 /nfs/dbraw/zinc/72/04/26/657720426.db2.gz PNISECWWSQDPBJ-MRVPVSSYSA-N 1 0 381.248 1.201 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000886892357 657721245 /nfs/dbraw/zinc/72/12/45/657721245.db2.gz ZHZGXLRDNDZVFJ-MRVPVSSYSA-N 1 0 397.316 1.670 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000886896636 657722574 /nfs/dbraw/zinc/72/25/74/657722574.db2.gz PPNZPYINYPBTHU-QMMMGPOBSA-N 1 0 384.426 1.066 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886896856 657723257 /nfs/dbraw/zinc/72/32/57/657723257.db2.gz WPEDPXUWVHWGEL-LLVKDONJSA-N 1 0 382.454 1.003 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000886896845 657723267 /nfs/dbraw/zinc/72/32/67/657723267.db2.gz WEIAZKNLHAPTTJ-VIFPVBQESA-N 1 0 399.257 1.981 20 0 GDADRO COC[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCCOC1 ZINC000886910089 657726872 /nfs/dbraw/zinc/72/68/72/657726872.db2.gz LDKBFQNFFICAGJ-SWLSCSKDSA-N 1 0 396.285 1.988 20 0 GDADRO CCS(=O)(=O)Nc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886934232 657728050 /nfs/dbraw/zinc/72/80/50/657728050.db2.gz QBYGRKGBPQLDIM-NSHDSACASA-N 1 0 376.429 1.815 20 0 GDADRO CCN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC)[C@@H]1CC[NH2+]C1 ZINC000887007057 657736258 /nfs/dbraw/zinc/73/62/58/657736258.db2.gz BZWUJYSTCMMAEF-SECBINFHSA-N 1 0 388.251 1.929 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001022476348 657741336 /nfs/dbraw/zinc/74/13/36/657741336.db2.gz UQHPYHNTGGHEAI-ZLCQRPCESA-N 1 0 377.312 1.859 20 0 GDADRO CNC(=O)C1([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCOCC1 ZINC000887081499 657752943 /nfs/dbraw/zinc/75/29/43/657752943.db2.gz UYFMTALONYCWGW-CYBMUJFWSA-N 1 0 387.274 1.074 20 0 GDADRO CNC(=O)C1([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCOCC1 ZINC000887082782 657753214 /nfs/dbraw/zinc/75/32/14/657753214.db2.gz DZFGTNXGFJWJEW-LBPRGKRZSA-N 1 0 377.268 1.618 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001025716143 657754092 /nfs/dbraw/zinc/75/40/92/657754092.db2.gz WAPVPMXZDJHDFM-UMSGYPCISA-N 1 0 385.917 1.433 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1(C2CC2)CCC1 ZINC000887148456 657755887 /nfs/dbraw/zinc/75/58/87/657755887.db2.gz CRYKLDFHUPYZIM-UHFFFAOYSA-N 1 0 386.539 1.633 20 0 GDADRO C[N@H+](CCO)CCNC(=O)Nc1ccc(I)cc1Cl ZINC000887222296 657770700 /nfs/dbraw/zinc/77/07/00/657770700.db2.gz JBSBPMNVVHLLDW-UHFFFAOYSA-N 1 0 397.644 1.990 20 0 GDADRO C[N@H+](CCO)CCNC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000888253685 657879168 /nfs/dbraw/zinc/87/91/68/657879168.db2.gz PLWIRCMISAGEQR-UHFFFAOYSA-N 1 0 382.262 1.680 20 0 GDADRO C[N@H+](CCO)CCNC(=O)Nc1ccc(I)cc1F ZINC000888855157 657942190 /nfs/dbraw/zinc/94/21/90/657942190.db2.gz PVELZNYZALXYQH-UHFFFAOYSA-N 1 0 381.189 1.476 20 0 GDADRO O=C(c1cccn2ncc(Br)c12)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889744063 658026334 /nfs/dbraw/zinc/02/63/34/658026334.db2.gz SJULHLXPSXKEAA-GJZGRUSLSA-N 1 0 393.285 1.768 20 0 GDADRO C[NH+]1CCC(CC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000889812611 658045777 /nfs/dbraw/zinc/04/57/77/658045777.db2.gz BWRQBTJTXGVAHM-ZDUSSCGKSA-N 1 0 381.274 1.555 20 0 GDADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000889813184 658047803 /nfs/dbraw/zinc/04/78/03/658047803.db2.gz MBNWSKBTPBEVOD-JOYOIKCWSA-N 1 0 383.290 1.990 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)CC[N@@H+]1C ZINC000889815774 658054337 /nfs/dbraw/zinc/05/43/37/658054337.db2.gz DSVNLIWZRREINC-YNEHKIRRSA-N 1 0 381.274 1.554 20 0 GDADRO C[N@H+](CC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O)CC(C)(C)C ZINC000889817217 658057659 /nfs/dbraw/zinc/05/76/59/658057659.db2.gz QUXGNCCXQMGTHD-GFCCVEGCSA-N 1 0 383.290 1.801 20 0 GDADRO Cn1cc(I)c(C(=O)NCC[N@@H+]2CCC(C)(C)C2)n1 ZINC000890066560 658078274 /nfs/dbraw/zinc/07/82/74/658078274.db2.gz WRACBGRHKWMBDS-UHFFFAOYSA-N 1 0 376.242 1.486 20 0 GDADRO C[NH+](C)CC1(C(=O)N[C@@H](CO)c2ccccc2I)CC1 ZINC000891322577 658225183 /nfs/dbraw/zinc/22/51/83/658225183.db2.gz SVQZXFWUQRDVIY-ZDUSSCGKSA-N 1 0 388.249 1.783 20 0 GDADRO CCC[N@H+](C)CC(=O)N[C@@H](CO)c1ccccc1I ZINC000891324292 658227221 /nfs/dbraw/zinc/22/72/21/658227221.db2.gz GPCAGOUPZCWEEI-ZDUSSCGKSA-N 1 0 376.238 1.783 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C(F)(F)F ZINC000891364311 658231477 /nfs/dbraw/zinc/23/14/77/658231477.db2.gz AMUVUHSXUZCBNI-HBNTYKKESA-N 1 0 376.345 1.649 20 0 GDADRO CCC1([NH3+])CCN(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000891549142 658249491 /nfs/dbraw/zinc/24/94/91/658249491.db2.gz 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398.349 1.970 20 0 GDADRO Cn1nc(Br)nc1C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000894155736 658513125 /nfs/dbraw/zinc/51/31/25/658513125.db2.gz IMPXTFBIBLPWRJ-UHFFFAOYSA-N 1 0 378.274 1.972 20 0 GDADRO COC(=O)[C@H]1[C@H](C[NH2+]CCNC(=O)c2ccc(Br)cc2)C1(F)F ZINC000894199859 658520352 /nfs/dbraw/zinc/52/03/52/658520352.db2.gz RQLFVOPHXDRDCN-NWDGAFQWSA-N 1 0 391.212 1.823 20 0 GDADRO CCS(=O)(=O)NCCNCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894207206 658521591 /nfs/dbraw/zinc/52/15/91/658521591.db2.gz STAJHKQYYUCLMO-UHFFFAOYSA-N 1 0 379.429 1.099 20 0 GDADRO COC(=O)[C@H]1[C@@H](C[NH2+]CCNC(=O)c2cccc(Br)c2)C1(F)F ZINC000894256405 658529293 /nfs/dbraw/zinc/52/92/93/658529293.db2.gz ACYDYQJHJAVNQH-VXGBXAGGSA-N 1 0 391.212 1.823 20 0 GDADRO C[NH+](C)Cc1ccc(CN[C@@H]2CCCS(=O)(=O)C2)c2c1OC(F)(F)O2 ZINC000894287884 658533304 /nfs/dbraw/zinc/53/33/04/658533304.db2.gz LPAZSRQBHVQLIA-CYBMUJFWSA-N 1 0 376.425 1.737 20 0 GDADRO COC1CC[NH+](CCNCc2cn(C)nc2I)CC1 ZINC000894399243 658552209 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O=S(=O)(C[C@@H]1CCCC[NH2+]C1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000899629237 659037629 /nfs/dbraw/zinc/03/76/29/659037629.db2.gz BWIIFLIYKIQCJO-OAHLLOKOSA-N 1 0 386.539 1.635 20 0 GDADRO Cc1c(C(=O)NCC[N@H+](C)CCO)cnn1-c1ccc(Br)cc1 ZINC000899729739 659056098 /nfs/dbraw/zinc/05/60/98/659056098.db2.gz NWVIKBQTWDVCKP-UHFFFAOYSA-N 1 0 381.274 1.597 20 0 GDADRO C[N@H+](CCO)CCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000899734765 659056395 /nfs/dbraw/zinc/05/63/95/659056395.db2.gz RMUNQXSREQXPMI-MRXNPFEDSA-N 1 0 390.311 1.407 20 0 GDADRO O=C(NCc1cn(-c2ccc(Br)c(F)c2)nn1)C1CC[NH2+]CC1 ZINC000899735984 659056484 /nfs/dbraw/zinc/05/64/84/659056484.db2.gz VVMPQMUABADBMO-UHFFFAOYSA-N 1 0 382.237 1.785 20 0 GDADRO C[N@H+](CCO)CCNC(=O)c1cc(Br)ncc1Br ZINC000899741532 659058183 /nfs/dbraw/zinc/05/81/83/659058183.db2.gz GJIFFNIMKJYJIZ-UHFFFAOYSA-N 1 0 381.068 1.261 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]Cc2ccc(Cl)nc2)CCC1 ZINC000899870539 659062885 /nfs/dbraw/zinc/06/28/85/659062885.db2.gz 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ZINC000900699257 659138952 /nfs/dbraw/zinc/13/89/52/659138952.db2.gz LFXOOSFFZSZCMF-UHFFFAOYSA-N 1 0 395.305 1.249 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2csc(S[C@H](C)C(N)=O)n2)C[C@H]1C ZINC000900797795 659146317 /nfs/dbraw/zinc/14/63/17/659146317.db2.gz ABJYSYXNFZCKSE-BZPMIXESSA-N 1 0 384.571 1.983 20 0 GDADRO C[C@@H](NC(=O)c1c[nH]c2ncc(Br)cc12)[C@@H]1C[N@H+](C)CCN1C ZINC000900812836 659149796 /nfs/dbraw/zinc/14/97/96/659149796.db2.gz XFIMLGCZMQKKCA-YGRLFVJLSA-N 1 0 380.290 1.690 20 0 GDADRO C[C@H]1CC[N@H+](CCNC(=O)Cn2nc(Br)c(Br)n2)C1 ZINC000900913393 659160122 /nfs/dbraw/zinc/16/01/22/659160122.db2.gz UBSFKXZZHXEEHS-QMMMGPOBSA-N 1 0 395.099 1.261 20 0 GDADRO O=C([C@H](O)c1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000900967384 659175344 /nfs/dbraw/zinc/17/53/44/659175344.db2.gz XRTANYQVJJLQJA-XJKSGUPXSA-N 1 0 383.286 1.663 20 0 GDADRO COC1CC[NH+](CCNC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000900979442 659176609 /nfs/dbraw/zinc/17/66/09/659176609.db2.gz BQYKTHSSUXKTSK-UHFFFAOYSA-N 1 0 389.283 1.345 20 0 GDADRO Cc1nc(CNC(=O)Cn2nc(Br)c(Br)n2)[nH]c1C ZINC000900999640 659178442 /nfs/dbraw/zinc/17/84/42/659178442.db2.gz ILLXVKYIDJONQP-UHFFFAOYSA-N 1 0 392.055 1.459 20 0 GDADRO CS[C@H]1CN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000901228517 659204082 /nfs/dbraw/zinc/20/40/82/659204082.db2.gz HVNDKYWINYQMES-NEPJUHHUSA-N 1 0 391.324 1.622 20 0 GDADRO CC(C)[NH+]1CCN(CCCC(=O)Nc2c[nH]cc(Br)c2=O)CC1 ZINC000901238742 659205092 /nfs/dbraw/zinc/20/50/92/659205092.db2.gz HKSSSOXBFXSYFU-UHFFFAOYSA-N 1 0 385.306 1.882 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000901260272 659206102 /nfs/dbraw/zinc/20/61/02/659206102.db2.gz YKXPCLYHRLBONE-ZDUSSCGKSA-N 1 0 385.555 1.615 20 0 GDADRO O=c1oc2cc(Br)ccc2n1CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000902644843 659269488 /nfs/dbraw/zinc/26/94/88/659269488.db2.gz QRLHUYCJICTSNW-KBPBESRZSA-N 1 0 396.285 1.846 20 0 GDADRO O=c1oc2cccc(Br)c2n1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000902642145 659269692 /nfs/dbraw/zinc/26/96/92/659269692.db2.gz FMHWVFGNJRRZDZ-UONOGXRCSA-N 1 0 396.285 1.846 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000903227786 659306528 /nfs/dbraw/zinc/30/65/28/659306528.db2.gz UVDUFKSURJLXSO-RDJZCZTQSA-N 1 0 387.571 1.544 20 0 GDADRO COCCC[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(F)cc1 ZINC000903227539 659306559 /nfs/dbraw/zinc/30/65/59/659306559.db2.gz TWXVPUFQIUHRJD-HNNXBMFYSA-N 1 0 380.507 1.940 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)CCN1Cc1ccccc1 ZINC000903229676 659307589 /nfs/dbraw/zinc/30/75/89/659307589.db2.gz MMXFNDYSCHUDDT-WBVHZDCISA-N 1 0 387.571 1.687 20 0 GDADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000903267206 659311800 /nfs/dbraw/zinc/31/18/00/659311800.db2.gz BNVOOBWPPTZNLP-YJNKXOJESA-N 1 0 376.519 1.566 20 0 GDADRO C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903281654 659312471 /nfs/dbraw/zinc/31/24/71/659312471.db2.gz QBXNXKCSUTWIDL-MLGOLLRUSA-N 1 0 378.441 1.027 20 0 GDADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@]1(CO)COCCN1C ZINC000903281571 659312537 /nfs/dbraw/zinc/31/25/37/659312537.db2.gz YLVXIGXXIGIVAD-XHDPSFHLSA-N 1 0 381.826 1.968 20 0 GDADRO Brc1cnc(CNC2CC[NH+](CCN3CCOCC3)CC2)nc1 ZINC000903318089 659313127 /nfs/dbraw/zinc/31/31/27/659313127.db2.gz HXXFPSHYGBKROS-UHFFFAOYSA-N 1 0 384.322 1.125 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)C1 ZINC000903367471 659314683 /nfs/dbraw/zinc/31/46/83/659314683.db2.gz ZFBUWNHHBURFEV-NFAWXSAZSA-N 1 0 383.457 1.537 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc(I)s1)C2 ZINC000903514578 659323682 /nfs/dbraw/zinc/32/36/82/659323682.db2.gz DKKSQFGSYFZZJE-GZMMTYOYSA-N 1 0 398.291 1.583 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c[nH]c2ncc(Cl)cc12 ZINC000903516310 659324232 /nfs/dbraw/zinc/32/42/32/659324232.db2.gz ZNALVDHVQKZJRA-LBPRGKRZSA-N 1 0 384.889 1.653 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903517148 659324683 /nfs/dbraw/zinc/32/46/83/659324683.db2.gz BQVYWLZQEQVALS-SKDRFNHKSA-N 1 0 391.287 1.595 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1F ZINC000903518814 659326088 /nfs/dbraw/zinc/32/60/88/659326088.db2.gz XZLOKDPUSXQEPT-DTWKUNHWSA-N 1 0 381.267 1.955 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)CC1 ZINC000903524433 659329232 /nfs/dbraw/zinc/32/92/32/659329232.db2.gz NMNPSYXSTKJKNX-UHFFFAOYSA-N 1 0 379.667 1.520 20 0 GDADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903525314 659329547 /nfs/dbraw/zinc/32/95/47/659329547.db2.gz SPOOATPJPOOPKA-UHFFFAOYSA-N 1 0 389.271 1.431 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])ccc1F ZINC000903537613 659332791 /nfs/dbraw/zinc/33/27/91/659332791.db2.gz XKWIAIHBPAGSFI-NHYWBVRUSA-N 1 0 376.475 1.121 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000903537820 659332834 /nfs/dbraw/zinc/33/28/34/659332834.db2.gz CXPWSDTZXKJGFG-UHFFFAOYSA-N 1 0 383.392 1.151 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000903538317 659333264 /nfs/dbraw/zinc/33/32/64/659333264.db2.gz BQSFWDYTTFJONX-PWSUYJOCSA-N 1 0 379.404 1.113 20 0 GDADRO O=S(=O)(c1ccc(Br)cc1)N1CC[NH2+]CCC12CCOCC2 ZINC000903547538 659336690 /nfs/dbraw/zinc/33/66/90/659336690.db2.gz RYKLUAWYBJRRKA-UHFFFAOYSA-N 1 0 389.315 1.982 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c1Br ZINC000903547973 659337174 /nfs/dbraw/zinc/33/71/74/659337174.db2.gz ZAFMXQDETJZETL-GFCCVEGCSA-N 1 0 391.335 1.855 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]CC2(C)C)c1F ZINC000903551030 659338322 /nfs/dbraw/zinc/33/83/22/659338322.db2.gz SEFWACODHBBFBK-SNVBAGLBSA-N 1 0 381.267 1.873 20 0 GDADRO O=S(=O)(c1onc(C2CC2)c1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000903550485 659338380 /nfs/dbraw/zinc/33/83/80/659338380.db2.gz RMZHZGTWTCVXGZ-UHFFFAOYSA-N 1 0 375.878 1.739 20 0 GDADRO CC1(C)CN(CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H]1[NH3+] ZINC000903552309 659338844 /nfs/dbraw/zinc/33/88/44/659338844.db2.gz LVKMHKYLXOTVOF-ZDUSSCGKSA-N 1 0 383.290 1.173 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000903554359 659339465 /nfs/dbraw/zinc/33/94/65/659339465.db2.gz LOTSQXDVNDKUMN-GFCCVEGCSA-N 1 0 380.388 1.768 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C[C@H]1CC[NH3+] ZINC000903557273 659340351 /nfs/dbraw/zinc/34/03/51/659340351.db2.gz MLXCKPPKJKJAAE-GHMZBOCLSA-N 1 0 379.404 1.793 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)ccc1Br ZINC000903561408 659340991 /nfs/dbraw/zinc/34/09/91/659340991.db2.gz UAXUNGVIKUNTIG-ZEGGKSINSA-N 1 0 389.271 1.407 20 0 GDADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NCCN2CCC([NH3+])CC2)c1 ZINC000903565187 659342605 /nfs/dbraw/zinc/34/26/05/659342605.db2.gz FNKMRZMEIIJJLX-UHFFFAOYSA-N 1 0 381.420 1.415 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903564831 659342665 /nfs/dbraw/zinc/34/26/65/659342665.db2.gz LHJRWFMNHJMHJZ-ADEWGFFLSA-N 1 0 378.372 1.663 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000903566127 659343390 /nfs/dbraw/zinc/34/33/90/659343390.db2.gz JBMLWCANPGBVLJ-UHFFFAOYSA-N 1 0 396.738 1.804 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C[C@H]1C(F)(F)F ZINC000903570368 659344284 /nfs/dbraw/zinc/34/42/84/659344284.db2.gz DTKREJPNLOERES-VXNVDRBHSA-N 1 0 386.779 1.621 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)c1 ZINC000903570847 659344759 /nfs/dbraw/zinc/34/47/59/659344759.db2.gz FMRBCLSTLQTIJX-CZMCAQCFSA-N 1 0 377.260 1.251 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1C ZINC000903573088 659345501 /nfs/dbraw/zinc/34/55/01/659345501.db2.gz PWBSFBBPLFIQBG-CHWSQXEVSA-N 1 0 380.388 1.682 20 0 GDADRO CC(C)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903572747 659345675 /nfs/dbraw/zinc/34/56/75/659345675.db2.gz CXINUPKXRUDDNV-CHWSQXEVSA-N 1 0 379.404 1.791 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903574466 659345910 /nfs/dbraw/zinc/34/59/10/659345910.db2.gz RWMMKIVZLGRFKG-BBRMVZONSA-N 1 0 382.873 1.608 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903578050 659348901 /nfs/dbraw/zinc/34/89/01/659348901.db2.gz AZACQNYFGKXBQA-KBPBESRZSA-N 1 0 379.404 1.223 20 0 GDADRO COC(=O)c1c(C)cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903578966 659349832 /nfs/dbraw/zinc/34/98/32/659349832.db2.gz KZAIYVLAPZEUKR-GHMZBOCLSA-N 1 0 380.388 1.682 20 0 GDADRO COC(=O)c1cc(F)ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903580036 659350730 /nfs/dbraw/zinc/35/07/30/659350730.db2.gz RUUUOXSQEPCEMF-GHMZBOCLSA-N 1 0 384.351 1.513 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Br)cnc1Cl)C2 ZINC000903580773 659351601 /nfs/dbraw/zinc/35/16/01/659351601.db2.gz BAWSRVIGHCVTCJ-SFGNSQDASA-N 1 0 380.695 1.998 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)CCc2noc3ccccc32)CC[C@H]1C(F)(F)F ZINC000903581446 659351934 /nfs/dbraw/zinc/35/19/34/659351934.db2.gz JLXHSAXWWKXRGM-VXGBXAGGSA-N 1 0 377.388 1.912 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903581770 659352232 /nfs/dbraw/zinc/35/22/32/659352232.db2.gz ZETSJTAWDKLJTA-XPUUQOCRSA-N 1 0 380.314 1.339 20 0 GDADRO COC(=O)c1ccc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903581737 659352339 /nfs/dbraw/zinc/35/23/39/659352339.db2.gz WGUVATSEUDYUED-QWHCGFSZSA-N 1 0 380.388 1.515 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000903584275 659353175 /nfs/dbraw/zinc/35/31/75/659353175.db2.gz KTTNOJWHTOBOAY-ZDUSSCGKSA-N 1 0 376.320 1.873 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C[C@H]1[NH3+] ZINC000903584542 659353728 /nfs/dbraw/zinc/35/37/28/659353728.db2.gz NUYXVHSDMZKSAV-GFCCVEGCSA-N 1 0 379.404 1.337 20 0 GDADRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000903588286 659355581 /nfs/dbraw/zinc/35/55/81/659355581.db2.gz HYELUOXQFPWCOH-MRVPVSSYSA-N 1 0 378.351 1.894 20 0 GDADRO Cc1csc(C)c1S(=O)(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000903637106 659365627 /nfs/dbraw/zinc/36/56/27/659365627.db2.gz RREWNJONMPBSEL-CQSZACIVSA-N 1 0 394.584 1.494 20 0 GDADRO C[C@@H]1c2sccc2CCN1C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903777235 659380542 /nfs/dbraw/zinc/38/05/42/659380542.db2.gz VBYWZBLXZLCBGW-USWWRNFRSA-N 1 0 375.416 1.932 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCc2ccc(Br)c(F)c2C1 ZINC000903791614 659380787 /nfs/dbraw/zinc/38/07/87/659380787.db2.gz IKEOLQOLGDDUPB-UHFFFAOYSA-N 1 0 386.265 1.541 20 0 GDADRO O=C(C(=O)N1CCS[C@H](C(F)(F)F)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903799840 659381501 /nfs/dbraw/zinc/38/15/01/659381501.db2.gz ZFXKTUDVEYGKAR-STQMWFEESA-N 1 0 379.448 1.341 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903802795 659381885 /nfs/dbraw/zinc/38/18/85/659381885.db2.gz XQBXZUQPEGAGJO-LSDHHAIUSA-N 1 0 395.301 1.718 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903909644 659389311 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O=C(CC[NH2+]C[C@H](O)C[C@]1(O)CCOC1)Nc1ccc(Br)cc1 ZINC000905059630 659419845 /nfs/dbraw/zinc/41/98/45/659419845.db2.gz PXVVFJKFOPEBGM-GDBMZVCRSA-N 1 0 387.274 1.270 20 0 GDADRO O[C@H](C[NH2+]CCc1ccc(I)s1)C[C@@]1(O)CCOC1 ZINC000905085629 659421801 /nfs/dbraw/zinc/42/18/01/659421801.db2.gz XOOQWBMBTNEWRW-GWCFXTLKSA-N 1 0 397.278 1.387 20 0 GDADRO C[C@](O)(C[NH2+]Cc1cccc(CS(N)(=O)=O)c1)C(F)(F)C(F)(F)F ZINC000905086184 659421814 /nfs/dbraw/zinc/42/18/14/659421814.db2.gz AYNZLLHEYJASKV-NSHDSACASA-N 1 0 376.347 1.513 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905103084 659423946 /nfs/dbraw/zinc/42/39/46/659423946.db2.gz XKSSBEOQSJWJEB-INIZCTEOSA-N 1 0 388.295 1.697 20 0 GDADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccccc2Br)C1)C1(O)CCOCC1 ZINC000905102169 659424016 /nfs/dbraw/zinc/42/40/16/659424016.db2.gz BALBECJYLHSHOF-CJNGLKHVSA-N 1 0 385.302 1.520 20 0 GDADRO CC[C@](O)(C[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)C(F)(F)F ZINC000905128861 659425628 /nfs/dbraw/zinc/42/56/28/659425628.db2.gz VRGVAWVZEFFVRS-AWEZNQCLSA-N 1 0 388.452 1.253 20 0 GDADRO CO[C@H](C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C(F)(F)F ZINC000905119500 659425741 /nfs/dbraw/zinc/42/57/41/659425741.db2.gz ZTMKSXKUQVUMQP-GHMZBOCLSA-N 1 0 376.441 1.155 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C(=O)N1c1cnn(C)c1 ZINC000905144425 659426741 /nfs/dbraw/zinc/42/67/41/659426741.db2.gz INYGRTSUEIVHFE-XZJROXQQSA-N 1 0 393.285 2.000 20 0 GDADRO COc1cc(Br)ccc1CCC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905206309 659433008 /nfs/dbraw/zinc/43/30/08/659433008.db2.gz BWWFJUDYWBPBKH-WBVHZDCISA-N 1 0 388.302 1.882 20 0 GDADRO CCOC1CC(CC[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905229788 659434961 /nfs/dbraw/zinc/43/49/61/659434961.db2.gz JXFLIHSQAAYUSR-GPANFISMSA-N 1 0 376.563 1.783 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CCCc2nccs2)CCC1 ZINC000905263753 659438386 /nfs/dbraw/zinc/43/83/86/659438386.db2.gz PJPIMKSTZRAIMV-CYBMUJFWSA-N 1 0 375.560 1.667 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000905336573 659443935 /nfs/dbraw/zinc/44/39/35/659443935.db2.gz TYHCVHMINIDDLR-UHFFFAOYSA-N 1 0 391.260 1.690 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000905356087 659446673 /nfs/dbraw/zinc/44/66/73/659446673.db2.gz LFJKQUKYYFUJFU-GFCCVEGCSA-N 1 0 380.436 1.838 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000905358645 659446677 /nfs/dbraw/zinc/44/66/77/659446677.db2.gz QGMNLNJRDCDUKT-AWEZNQCLSA-N 1 0 375.878 1.726 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2(C)C)cc1Br ZINC000905360070 659447085 /nfs/dbraw/zinc/44/70/85/659447085.db2.gz VSNQPMBVRMUDIP-ZDUSSCGKSA-N 1 0 390.303 1.826 20 0 GDADRO COC(=O)c1cnc(C2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)s1 ZINC000905361655 659447101 /nfs/dbraw/zinc/44/71/01/659447101.db2.gz IXISFDYZWLUBLS-UHFFFAOYSA-N 1 0 387.527 1.439 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000905363866 659447545 /nfs/dbraw/zinc/44/75/45/659447545.db2.gz YRCYXBQMKLHEOI-CYBMUJFWSA-N 1 0 389.319 1.705 20 0 GDADRO OC[C@H](C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1)Cc1cccc(Br)c1 ZINC000905365521 659447826 /nfs/dbraw/zinc/44/78/26/659447826.db2.gz JZIWYZKUZCAPNX-UAGQMJEPSA-N 1 0 388.302 1.092 20 0 GDADRO O[C@H](CCC1(O)CCC1)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000905367654 659448276 /nfs/dbraw/zinc/44/82/76/659448276.db2.gz LPNWKZQWNYVGQL-KGLIPLIRSA-N 1 0 388.302 1.835 20 0 GDADRO O=S(=O)(CC[NH2+][C@H](CO)C[C@H]1CCCO1)c1cccc(Br)c1 ZINC000905460562 659455408 /nfs/dbraw/zinc/45/54/08/659455408.db2.gz MRHPMWOILSKTPA-UONOGXRCSA-N 1 0 392.315 1.742 20 0 GDADRO Cn1ccn2c(CC[NH2+]C[C@@H](O)c3ccc(Cl)c(Cl)c3)nnc2c1=O ZINC000905471316 659456165 /nfs/dbraw/zinc/45/61/65/659456165.db2.gz BQRNGTIJGMZIFE-CYBMUJFWSA-N 1 0 382.251 1.601 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CCS(=O)(=O)C1 ZINC000905555791 659464260 /nfs/dbraw/zinc/46/42/60/659464260.db2.gz GGGTXSXJFCTXTL-HIFRSBDPSA-N 1 0 398.308 1.526 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 ZINC000905557164 659464810 /nfs/dbraw/zinc/46/48/10/659464810.db2.gz MFJXLEKSVNUBIY-ABAIWWIYSA-N 1 0 398.308 1.526 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000905566353 659465873 /nfs/dbraw/zinc/46/58/73/659465873.db2.gz UGJVMVWIICBAEA-ZFWWWQNUSA-N 1 0 380.432 1.740 20 0 GDADRO Cn1nnc2c1C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000905632829 659470587 /nfs/dbraw/zinc/47/05/87/659470587.db2.gz IVQUTVIOMPCHTC-QWHCGFSZSA-N 1 0 381.274 1.464 20 0 GDADRO Cn1nnnc1CCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000905677062 659474814 /nfs/dbraw/zinc/47/48/14/659474814.db2.gz ASNWABJDCFZXHA-LBPRGKRZSA-N 1 0 388.241 1.074 20 0 GDADRO O[C@H](C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1)COc1cccc(Cl)c1Cl ZINC000905918434 659494823 /nfs/dbraw/zinc/49/48/23/659494823.db2.gz HINAXWCQPKSQIU-HSMVNMDESA-N 1 0 380.268 1.225 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cn(C)nc1I ZINC000906104405 659520635 /nfs/dbraw/zinc/52/06/35/659520635.db2.gz OAOYKNAYXAKQIK-SNVBAGLBSA-N 1 0 376.242 1.629 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906428222 659539338 /nfs/dbraw/zinc/53/93/38/659539338.db2.gz GZNHDUFHERYEIT-LBPRGKRZSA-N 1 0 395.718 1.571 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)nc2I)C1 ZINC000906449386 659541382 /nfs/dbraw/zinc/54/13/82/659541382.db2.gz CBGYUTQPLZHAOS-LLVKDONJSA-N 1 0 390.269 1.875 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1nscc1I ZINC000906460622 659543463 /nfs/dbraw/zinc/54/34/63/659543463.db2.gz VGSMFHZYRLMVMF-DTWKUNHWSA-N 1 0 393.250 1.341 20 0 GDADRO CN1CCC([NH+]2CCC(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC2)CC1 ZINC000906465386 659544990 /nfs/dbraw/zinc/54/49/90/659544990.db2.gz JGIQTJMCDMMTNL-CYBMUJFWSA-N 1 0 386.751 1.782 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccn2ncc(Br)c12 ZINC000906574622 659556742 /nfs/dbraw/zinc/55/67/42/659556742.db2.gz VXJZFPHGWOVZHS-GFCCVEGCSA-N 1 0 381.274 1.937 20 0 GDADRO CC(C)(O)C[NH+]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906603866 659560121 /nfs/dbraw/zinc/56/01/21/659560121.db2.gz YQTHPMSYGGYTLQ-UHFFFAOYSA-N 1 0 398.301 1.474 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000906642370 659563947 /nfs/dbraw/zinc/56/39/47/659563947.db2.gz MTZSJMAOSUVLPL-LBPRGKRZSA-N 1 0 383.283 1.550 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2nscc2I)CC1 ZINC000906670514 659567444 /nfs/dbraw/zinc/56/74/44/659567444.db2.gz CPPASJADSIIRDI-UHFFFAOYSA-N 1 0 394.282 1.115 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)[C@@H](OC)c2ccc(Br)s2)CC1 ZINC000906671009 659567984 /nfs/dbraw/zinc/56/79/84/659567984.db2.gz DLRKLLGCLSROTE-AWEZNQCLSA-N 1 0 390.347 1.952 20 0 GDADRO CC(C)C[C@@H](CNC(=O)c1cn(C)nc1I)[NH+](C)C ZINC000906673281 659568588 /nfs/dbraw/zinc/56/85/88/659568588.db2.gz JLNMSGIGVSGDSO-JTQLQIEISA-N 1 0 378.258 1.731 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)[C@@H](C)C[NH2+]1 ZINC000906676600 659569023 /nfs/dbraw/zinc/56/90/23/659569023.db2.gz VEMRIOVTXWEZHX-QWRGUYRKSA-N 1 0 381.889 1.794 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906683153 659570071 /nfs/dbraw/zinc/57/00/71/659570071.db2.gz VOIRGTXTEQLOQD-NWDGAFQWSA-N 1 0 381.889 1.842 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)c(I)c(F)c2)CC1 ZINC000906696346 659573035 /nfs/dbraw/zinc/57/30/35/659573035.db2.gz CYTMRQCCCOGXTC-UHFFFAOYSA-N 1 0 395.147 1.115 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000906705909 659574031 /nfs/dbraw/zinc/57/40/31/659574031.db2.gz ODRGQPVQPZZANZ-CQSZACIVSA-N 1 0 380.286 1.991 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)c(Cl)cc1Br ZINC000906741521 659579027 /nfs/dbraw/zinc/57/90/27/659579027.db2.gz KAVGKXUUNLUMLF-ZKCHVHJHSA-N 1 0 390.665 1.903 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)cc1C ZINC000906749062 659580868 /nfs/dbraw/zinc/58/08/68/659580868.db2.gz NFJGSENRFXDVEO-ZDUSSCGKSA-N 1 0 384.274 1.533 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000906778676 659585585 /nfs/dbraw/zinc/58/55/85/659585585.db2.gz GPVPRUNCXFFTDS-JTQLQIEISA-N 1 0 379.766 1.744 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cn(C)nc1I ZINC000906793444 659589363 /nfs/dbraw/zinc/58/93/63/659589363.db2.gz REKFNNWJPSVVOT-MWLCHTKSSA-N 1 0 376.242 1.437 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nc2I)[C@@H](C)C1 ZINC000906795049 659589432 /nfs/dbraw/zinc/58/94/32/659589432.db2.gz ZRDROIAWMTUDCX-CMPLNLGQSA-N 1 0 390.269 1.827 20 0 GDADRO CN1CCC[C@H](NS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C1 ZINC000906862464 659603016 /nfs/dbraw/zinc/60/30/16/659603016.db2.gz VLSPVLMNPFHZOJ-QMMMGPOBSA-N 1 0 394.266 1.060 20 0 GDADRO C[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)Oc1ccccc1Br ZINC000906907352 659615534 /nfs/dbraw/zinc/61/55/34/659615534.db2.gz OKYQIFUVXDIMCZ-CYBMUJFWSA-N 1 0 384.318 1.826 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)nc12 ZINC000907374107 659740644 /nfs/dbraw/zinc/74/06/44/659740644.db2.gz MGTBMWBXDCBIHQ-CZUORRHYSA-N 1 0 381.274 1.477 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CCCS(N)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000907436105 659752020 /nfs/dbraw/zinc/75/20/20/659752020.db2.gz GIKGDGDXZLFLOO-ZDUSSCGKSA-N 1 0 381.420 1.493 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)N=[S@](C)(=O)c3ccccc3F)C[C@]2(C)C1 ZINC000907563985 659784916 /nfs/dbraw/zinc/78/49/16/659784916.db2.gz LKFIDVXXEVEMFW-XLNZQSRMSA-N 1 0 375.491 1.411 20 0 GDADRO CN1CC[N@H+](C)CC(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)C1 ZINC000907740415 659820329 /nfs/dbraw/zinc/82/03/29/659820329.db2.gz ZXVRKZUJLCEXME-HNNXBMFYSA-N 1 0 398.345 1.210 20 0 GDADRO Cn1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c(I)n1 ZINC000907745442 659821591 /nfs/dbraw/zinc/82/15/91/659821591.db2.gz YMZBWFIFHRYHAU-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000907781182 659829418 /nfs/dbraw/zinc/82/94/18/659829418.db2.gz DLYHBDXPSLUDSY-OAHLLOKOSA-N 1 0 382.262 1.021 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000907805212 659833320 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398.301 1.576 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000911280760 660001597 /nfs/dbraw/zinc/00/15/97/660001597.db2.gz LGWKQUADAYDANK-ZIAGYGMSSA-N 1 0 382.302 1.802 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000911420066 660006874 /nfs/dbraw/zinc/00/68/74/660006874.db2.gz GYQXEZYVWUTVQN-ZYHUDNBSSA-N 1 0 384.274 1.127 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911429121 660007523 /nfs/dbraw/zinc/00/75/23/660007523.db2.gz QOQDGPMVRVPNKF-DOMZBBRYSA-N 1 0 396.329 1.860 20 0 GDADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000911488986 660008707 /nfs/dbraw/zinc/00/87/07/660008707.db2.gz NBVWJIQHUARXGU-NJZAAPMLSA-N 1 0 395.301 1.751 20 0 GDADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)C(=O)NCC2([NH3+])CC2)C3)cs1 ZINC000911506813 660009159 /nfs/dbraw/zinc/00/91/59/660009159.db2.gz RCHOPGHJYVNEGC-UHFFFAOYSA-N 1 0 376.507 1.672 20 0 GDADRO O=C(NCc1ccc(Br)cc1F)C(=O)NC[C@H]1CCCCC[NH2+]1 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660037489 /nfs/dbraw/zinc/03/74/89/660037489.db2.gz FFRKMQWLQZBNSP-UHFFFAOYSA-N 1 0 379.869 1.584 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000912454766 660037827 /nfs/dbraw/zinc/03/78/27/660037827.db2.gz RENIVNCEHJHQDC-NVXWUHKLSA-N 1 0 382.302 1.553 20 0 GDADRO Cc1cc(NC(=O)[C@H]2C[NH2+]CCN2C)n(-c2cccc(Br)c2)n1 ZINC000912489071 660039676 /nfs/dbraw/zinc/03/96/76/660039676.db2.gz WIVHCWHIAVMAOC-CQSZACIVSA-N 1 0 378.274 1.785 20 0 GDADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000912592147 660043703 /nfs/dbraw/zinc/04/37/03/660043703.db2.gz WUVKZFMQZKRPBI-UHFFFAOYSA-N 1 0 387.322 1.635 20 0 GDADRO O=C(c1cccn2ncc(Br)c12)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000912715366 660050258 /nfs/dbraw/zinc/05/02/58/660050258.db2.gz UVCCIRCQBZNMLD-CYBMUJFWSA-N 1 0 393.285 1.768 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCC([NH+]2CCC2)CC1 ZINC000912883769 660057435 /nfs/dbraw/zinc/05/74/35/660057435.db2.gz SFIMGNXSMLZUAY-UHFFFAOYSA-N 1 0 385.917 1.705 20 0 GDADRO 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1.287 20 0 GDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(-c4nnco4)ccn2)CC3)CC1 ZINC001164795168 721520399 /nfs/dbraw/zinc/52/03/99/721520399.db2.gz KRTBDFIVJDWRQA-UHFFFAOYSA-N 1 0 380.456 1.096 20 0 GDADRO COc1ccnc(Cl)c1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794822 721521227 /nfs/dbraw/zinc/52/12/27/721521227.db2.gz IEZQFKPDKQPPHL-UHFFFAOYSA-N 1 0 376.892 1.708 20 0 GDADRO O=C1COc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2N1 ZINC001164905781 721536064 /nfs/dbraw/zinc/53/60/64/721536064.db2.gz IEGNGYBRFAPFFP-GDBMZVCRSA-N 1 0 384.411 1.894 20 0 GDADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)OCC(=O)N3)[C@@H]2CCCO[C@H]12 ZINC001164807201 721553431 /nfs/dbraw/zinc/55/34/31/721553431.db2.gz QHYAKFQNWSQTIU-HLIPFELVSA-N 1 0 395.463 1.676 20 0 GDADRO COCCOc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164910883 721556015 /nfs/dbraw/zinc/55/60/15/721556015.db2.gz XMUDJKXANLYIFR-WMZOPIPTSA-N 1 0 388.443 1.983 20 0 GDADRO CCNC(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 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FRXUVKPNNMRKFA-INIZCTEOSA-N 1 0 385.871 1.781 20 0 GDADRO C[NH+]1CCN(c2ccc(N3CC[C@@]4(C[C@@H](Oc5cccnc5)CO4)C3)nn2)CC1 ZINC001164916088 721804970 /nfs/dbraw/zinc/80/49/70/721804970.db2.gz MZHMGWIKJQFRMK-WIYYLYMNSA-N 1 0 396.495 1.440 20 0 GDADRO CCOC(=O)c1cnc(N2CC[NH+](C3CCCC3)CC2)nc1C(=O)OCC ZINC001165027996 721854478 /nfs/dbraw/zinc/85/44/78/721854478.db2.gz GTTKHFWXCGNLCN-UHFFFAOYSA-N 1 0 376.457 1.895 20 0 GDADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)nc2[nH]cnc21 ZINC001164932265 721880635 /nfs/dbraw/zinc/88/06/35/721880635.db2.gz HSGJKRLOIGPZSZ-WDEREUQCSA-N 1 0 385.850 1.717 20 0 GDADRO CCOC(=O)N1CCc2nnc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)cc2C1 ZINC001164936275 721880667 /nfs/dbraw/zinc/88/06/67/721880667.db2.gz ZBAGRJCLSNXWCH-ROUUACIJSA-N 1 0 388.516 1.206 20 0 GDADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cncc(C(N)=O)n4)CC3)C2)cc1 ZINC001164940987 721924644 /nfs/dbraw/zinc/92/46/44/721924644.db2.gz YAELWRNEDNFRRJ-UHFFFAOYSA-N 1 0 381.480 1.755 20 0 GDADRO CNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962297 722057913 /nfs/dbraw/zinc/05/79/13/722057913.db2.gz QNQDEGBUAPZNGB-UHFFFAOYSA-N 1 0 395.507 1.955 20 0 GDADRO NC(=O)c1cc(F)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959976 722058729 /nfs/dbraw/zinc/05/87/29/722058729.db2.gz BEPZIGYGSHFAJM-UHFFFAOYSA-N 1 0 399.470 1.834 20 0 GDADRO CON(C)C(=O)c1cc(Cl)nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967277 722072698 /nfs/dbraw/zinc/07/26/98/722072698.db2.gz LXZMAAVRVHPYPQ-GASCZTMLSA-N 1 0 380.876 1.668 20 0 GDADRO c1cn(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cn1 ZINC001164975151 722128876 /nfs/dbraw/zinc/12/88/76/722128876.db2.gz DVUKZGOFGQSRQD-OALUTQOASA-N 1 0 391.479 1.785 20 0 GDADRO CNC(=O)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983790 722130290 /nfs/dbraw/zinc/13/02/90/722130290.db2.gz UWWRTSCZHDKLID-PKOBYXMFSA-N 1 0 381.480 1.564 20 0 GDADRO Cn1nc(C(=O)N2CCOCC2)c2c1CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164972129 722160197 /nfs/dbraw/zinc/16/01/97/722160197.db2.gz FUPRVYLGWOEKQX-UHFFFAOYSA-N 1 0 396.495 1.404 20 0 GDADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3nc[nH]c31)CCC2 ZINC001165001732 722250572 /nfs/dbraw/zinc/25/05/72/722250572.db2.gz UISHEAJKGYOTOB-UHFFFAOYSA-N 1 0 390.879 1.691 20 0 GDADRO CCOC(=O)c1nccnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165003108 722253246 /nfs/dbraw/zinc/25/32/46/722253246.db2.gz ZVGVRZKUMIMUAG-UHFFFAOYSA-N 1 0 388.472 1.338 20 0 GDADRO COc1ncc(Cl)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165003848 722257582 /nfs/dbraw/zinc/25/75/82/722257582.db2.gz JMASHTFNYINKDK-UHFFFAOYSA-N 1 0 380.880 1.824 20 0 GDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc3c(nn1)CC[NH2+]C3)C2 ZINC001165006420 722266151 /nfs/dbraw/zinc/26/61/51/722266151.db2.gz IMPHKQFOANBVKZ-OAQYLSRUSA-N 1 0 396.470 1.189 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000738152160 945251659 /nfs/dbraw/zinc/25/16/59/945251659.db2.gz PQTBPNIOSQJXPH-GJZGRUSLSA-N 1 0 391.863 1.583 20 0 GDADRO CC(=O)N1CC[NH+]([C@H]2CN(c3cc(Cl)ccc3-c3nn[nH]n3)C[C@@H]2C)CC1 ZINC000819796837 945293246 /nfs/dbraw/zinc/29/32/46/945293246.db2.gz PVKGCHUBBIUEPB-SJCJKPOMSA-N 1 0 389.891 1.509 20 0 GDADRO CC[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736568140 944843883 /nfs/dbraw/zinc/84/38/83/944843883.db2.gz ARYHTOANPQZAMY-GFCCVEGCSA-N 1 0 377.880 1.875 20 0 GDADRO Cc1noc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001571260631 945420458 /nfs/dbraw/zinc/42/04/58/945420458.db2.gz XTFBTMJHLSIQRB-JQWIXIFHSA-N 1 0 385.432 1.089 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1csc(=O)[nH]1 ZINC001571261682 945429309 /nfs/dbraw/zinc/42/93/09/945429309.db2.gz IJSPROAHXLFNBT-ZDUSSCGKSA-N 1 0 385.453 1.423 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1csc(=O)[nH]1 ZINC001571262022 945433512 /nfs/dbraw/zinc/43/35/12/945433512.db2.gz MHONQXOTNJIPJL-CYBMUJFWSA-N 1 0 385.453 1.423 20 0 GDADRO Cc1cc(N2CCC(C)(NC(=O)c3csnn3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571263100 945449473 /nfs/dbraw/zinc/44/94/73/945449473.db2.gz HJYVAPNXYCCQSX-UHFFFAOYSA-N 1 0 385.457 1.211 20 0 GDADRO C[C@@](O)(CC(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001571263235 945453825 /nfs/dbraw/zinc/45/38/25/945453825.db2.gz KNLYPXPULPFWET-IFXJQAMLSA-N 1 0 385.472 1.028 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CN(C(=O)C(C)(C)C2CC2)CCO1 ZINC001571263627 945463353 /nfs/dbraw/zinc/46/33/53/945463353.db2.gz VHWAPVBQMONKTI-WBMJQRKESA-N 1 0 385.472 1.148 20 0 GDADRO Cc1cc(N2CC[C@]3(CCN(C(=O)[C@H](O)C(C)C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264295 945479998 /nfs/dbraw/zinc/47/99/98/945479998.db2.gz KLKGRHJBEOAXGK-APWZRJJASA-N 1 0 385.472 1.016 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571264259 945480095 /nfs/dbraw/zinc/48/00/95/945480095.db2.gz JYLMDQGMKYTXTE-WBOJAVRRSA-N 1 0 385.472 1.265 20 0 GDADRO Cc1cc(N(C)C[C@H]2CCN(C(=O)[C@H]3CCCOC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264807 945493815 /nfs/dbraw/zinc/49/38/15/945493815.db2.gz XUWGHJQVJGKRKF-CABCVRRESA-N 1 0 385.472 1.281 20 0 GDADRO O=C(COC1CCCC1)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571265099 945499458 /nfs/dbraw/zinc/49/94/58/945499458.db2.gz CFUQNWODPYMOJH-CQSZACIVSA-N 1 0 385.472 1.436 20 0 GDADRO O=C(CC1CCOCC1)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571266379 945538376 /nfs/dbraw/zinc/53/83/76/945538376.db2.gz PMVYCPBRYKVVFS-OAHLLOKOSA-N 1 0 385.472 1.293 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@@H]1CCOC1 ZINC001571266453 945541309 /nfs/dbraw/zinc/54/13/09/945541309.db2.gz QVQSJJKWHTYVMS-XYPHTWIQSA-N 1 0 385.472 1.300 20 0 GDADRO Cc1cc(NC[C@H]2CCCN2C(=O)CC[C@H]2CCCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266514 945545880 /nfs/dbraw/zinc/54/58/80/945545880.db2.gz SRBYLJWIYWUUIU-HUUCEWRRSA-N 1 0 385.472 1.354 20 0 GDADRO Cc1cc(NC2CC(N(C)C(=O)[C@H]3CCCOCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266732 945552998 /nfs/dbraw/zinc/55/29/98/945552998.db2.gz YCVZWCFCSKEQAV-NFOMZHRRSA-N 1 0 385.472 1.210 20 0 GDADRO Cc1nonc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001571268019 945585896 /nfs/dbraw/zinc/58/58/96/945585896.db2.gz LJADKFMLONNOER-TVQRCGJNSA-N 1 0 386.391 1.090 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@@H]1C[C@@]12CCOC2 ZINC001571268600 945600590 /nfs/dbraw/zinc/60/05/90/945600590.db2.gz IFWYRVJJRKARKY-XMDUPGNXSA-N 1 0 386.431 1.169 20 0 GDADRO O=C([C@@H]1CCOC1)N1CC[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001571269199 945613692 /nfs/dbraw/zinc/61/36/92/945613692.db2.gz RZUAURIUMQVPJJ-JJRVBVJISA-N 1 0 386.431 1.075 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271370 945642621 /nfs/dbraw/zinc/64/26/21/945642621.db2.gz BATXJACGBRUVIY-NEPJUHHUSA-N 1 0 386.485 1.078 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c(C)s1 ZINC001571271533 945645172 /nfs/dbraw/zinc/64/51/72/945645172.db2.gz CPXFYAGLYZCFNJ-GFCCVEGCSA-N 1 0 386.485 1.663 20 0 GDADRO CC[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[nH]n2)c(C)n1)[NH+](C)C ZINC001571271678 945648045 /nfs/dbraw/zinc/64/80/45/945648045.db2.gz HCXOAWWTWWUNPG-GDBMZVCRSA-N 1 0 386.504 1.703 20 0 GDADRO CC(C)CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001571271879 945652705 /nfs/dbraw/zinc/65/27/05/945652705.db2.gz LPAKTMWBIPTNRR-INIZCTEOSA-N 1 0 386.504 1.073 20 0 GDADRO C[C@H]([NH2+]Cc1cncs1)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571272045 945654618 /nfs/dbraw/zinc/65/46/18/945654618.db2.gz NOJZUXZMPGPLHR-NWDGAFQWSA-N 1 0 386.485 1.682 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)CC1 ZINC000821253932 945659450 /nfs/dbraw/zinc/65/94/50/945659450.db2.gz JGCRVLRUFUGYFU-UHFFFAOYSA-N 1 0 377.836 1.059 20 0 GDADRO Cn1cc(Cl)c(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571274091 945692540 /nfs/dbraw/zinc/69/25/40/945692540.db2.gz AROWCFVWGCZLHR-ZDUSSCGKSA-N 1 0 386.847 1.258 20 0 GDADRO Cn1ncc(Cl)c1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571274888 945701145 /nfs/dbraw/zinc/70/11/45/945701145.db2.gz MGJQVCURTJDGJW-LBPRGKRZSA-N 1 0 386.847 1.258 20 0 GDADRO O=C(Cn1cc(Cl)cn1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571275578 945708280 /nfs/dbraw/zinc/70/82/80/945708280.db2.gz XTRXXJJOSSJASI-OAHLLOKOSA-N 1 0 386.847 1.107 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)c1ccc(F)cn1 ZINC001571279864 945790877 /nfs/dbraw/zinc/79/08/77/945790877.db2.gz YCKUJGLTYNTSKU-PWSUYJOCSA-N 1 0 387.444 1.855 20 0 GDADRO CC1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001571281212 945800178 /nfs/dbraw/zinc/80/01/78/945800178.db2.gz FMIPGMSEYPHVRW-AWEZNQCLSA-N 1 0 387.488 1.596 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001571281791 945811519 /nfs/dbraw/zinc/81/15/19/945811519.db2.gz NTLXAWZGJGQIRL-UHFFFAOYSA-N 1 0 387.463 1.136 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001571281787 945811912 /nfs/dbraw/zinc/81/19/12/945811912.db2.gz NTHPWVVKLLHNMU-MFKMUULPSA-N 1 0 387.473 1.219 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C)c1csnn1 ZINC001571281720 945814994 /nfs/dbraw/zinc/81/49/94/945814994.db2.gz MOJYQUZRVXGTOQ-CKYFFXLPSA-N 1 0 387.473 1.105 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000821690035 945817314 /nfs/dbraw/zinc/81/73/14/945817314.db2.gz WRSIZTBJTZSQBQ-KDOFPFPSSA-N 1 0 399.499 1.507 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000821690037 945817563 /nfs/dbraw/zinc/81/75/63/945817563.db2.gz WRSIZTBJTZSQBQ-RDTXWAMCSA-N 1 0 399.499 1.507 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ccns1 ZINC001571281938 945820744 /nfs/dbraw/zinc/82/07/44/945820744.db2.gz BYTOHLJMIXJGRS-MJHDQNEOSA-N 1 0 387.444 1.761 20 0 GDADRO CCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2C)no1 ZINC001571282261 945834732 /nfs/dbraw/zinc/83/47/32/945834732.db2.gz WDYXNBYMMOWFDX-QMTHXVAHSA-N 1 0 387.469 1.729 20 0 GDADRO Cc1ncsc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282708 945856929 /nfs/dbraw/zinc/85/69/29/945856929.db2.gz OGGQVNXMNJWHMF-LBPRGKRZSA-N 1 0 387.444 1.775 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571282801 945863126 /nfs/dbraw/zinc/86/31/26/945863126.db2.gz RKFDVODYPCFSBR-LSDHHAIUSA-N 1 0 387.463 1.038 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571282961 945868529 /nfs/dbraw/zinc/86/85/29/945868529.db2.gz WSCUAPXCGMIBKN-KRWDZBQOSA-N 1 0 387.463 1.181 20 0 GDADRO O=C(N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1ccc(Cl)s1 ZINC001571285317 945912714 /nfs/dbraw/zinc/91/27/14/945912714.db2.gz AZLDBKMGEDDHLR-MSRIBSCDSA-N 1 0 387.856 1.841 20 0 GDADRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](CO)C2)c1-c1nn[nH]n1 ZINC000822016042 945920973 /nfs/dbraw/zinc/92/09/73/945920973.db2.gz UKCHTQDWJHTFOF-HNNXBMFYSA-N 1 0 395.467 1.527 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1n[nH]cc1F ZINC001571285648 945923089 /nfs/dbraw/zinc/92/30/89/945923089.db2.gz KPQWBSNDVJOSPC-UHFFFAOYSA-N 1 0 388.382 1.166 20 0 GDADRO C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CO1 ZINC001571287220 945970499 /nfs/dbraw/zinc/97/04/99/945970499.db2.gz AZPJLQYQMIBACU-BHTHQVBYSA-N 1 0 388.447 1.415 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)[C@H]1CCOC1 ZINC001571287411 945973181 /nfs/dbraw/zinc/97/31/81/945973181.db2.gz DDTQNZJZGODCKW-HNNXBMFYSA-N 1 0 388.447 1.371 20 0 GDADRO O=C(CC1CCOCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571287671 945978051 /nfs/dbraw/zinc/97/80/51/945978051.db2.gz HQMNFFCKYAFHMQ-GASCZTMLSA-N 1 0 388.447 1.559 20 0 GDADRO CCO[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287659 945978900 /nfs/dbraw/zinc/97/89/00/945978900.db2.gz HFHAAUAJISGOND-GKLJAUDBSA-N 1 0 388.447 1.415 20 0 GDADRO Cc1cc(C)cc([C@@H](O)C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000822196273 945980615 /nfs/dbraw/zinc/98/06/15/945980615.db2.gz BWRUPZONZSDREV-SFHVURJKSA-N 1 0 379.468 1.734 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571288046 945982631 /nfs/dbraw/zinc/98/26/31/945982631.db2.gz LSTJMMPXWCVTPO-WMLDXEAASA-N 1 0 388.447 1.511 20 0 GDADRO CC(=O)N[C@H](C)C(=O)N(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573467928 945986825 /nfs/dbraw/zinc/98/68/25/945986825.db2.gz JHOOLKOPZREGMQ-CQSZACIVSA-N 1 0 387.488 1.060 20 0 GDADRO O=C(C[C@H]1CCCO1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571288759 945992733 /nfs/dbraw/zinc/99/27/33/945992733.db2.gz SVWVUALVUYOJJG-JKSUJKDBSA-N 1 0 388.447 1.656 20 0 GDADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001571290131 946028956 /nfs/dbraw/zinc/02/89/56/946028956.db2.gz VUOGYGWIBASZAR-IUODEOHRSA-N 1 0 388.451 1.193 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571290517 946044430 /nfs/dbraw/zinc/04/44/30/946044430.db2.gz HXIORFAGUATWMK-NXEZZACHSA-N 1 0 388.819 1.288 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000822335883 946057885 /nfs/dbraw/zinc/05/78/85/946057885.db2.gz NBSPVRAVTUWUMH-MRXNPFEDSA-N 1 0 392.511 1.940 20 0 GDADRO O=C(N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[C@H]1CCCC(F)(F)C1 ZINC001571291249 946070928 /nfs/dbraw/zinc/07/09/28/946070928.db2.gz HHLXZKONJPLVAM-MUYACECFSA-N 1 0 389.410 1.638 20 0 GDADRO COc1nc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571293579 946112041 /nfs/dbraw/zinc/11/20/41/946112041.db2.gz LRMNIDDPOFIYQR-MRXNPFEDSA-N 1 0 389.441 1.319 20 0 GDADRO Cc1sc(NC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)c(-c2nn[nH]n2)c1C ZINC000822557770 946126485 /nfs/dbraw/zinc/12/64/85/946126485.db2.gz JVWHGLASGSPLJN-ZDUSSCGKSA-N 1 0 375.502 1.654 20 0 GDADRO O=C(CCc1cncs1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295018 946152982 /nfs/dbraw/zinc/15/29/82/946152982.db2.gz NPRXAHJBEDBESV-LLVKDONJSA-N 1 0 389.510 1.708 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1csc(Cl)n1 ZINC001571295123 946154997 /nfs/dbraw/zinc/15/49/97/946154997.db2.gz UHZJCEAYTJENST-GFCCVEGCSA-N 1 0 389.872 1.981 20 0 GDADRO Cn1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(-c2cccnc2)n1 ZINC000822679889 946155609 /nfs/dbraw/zinc/15/56/09/946155609.db2.gz JTRLPEJCFMZJPO-UHFFFAOYSA-N 1 0 376.424 1.831 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCc2c(sc(N)c2-c2nn[nH]n2)C1)[NH+]1CCCCC1 ZINC001571295566 946165789 /nfs/dbraw/zinc/16/57/89/946165789.db2.gz XWUSYEQLOXEKBE-HNNXBMFYSA-N 1 0 389.529 1.906 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1)[NH+](C)C ZINC001571295551 946167668 /nfs/dbraw/zinc/16/76/68/946167668.db2.gz XLQVMBVVQPKGNN-QGZVFWFLSA-N 1 0 389.479 1.236 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571295650 946168928 /nfs/dbraw/zinc/16/89/28/946168928.db2.gz AXGJHTGCAGOOET-FWYOQMDTSA-N 1 0 390.438 1.952 20 0 GDADRO CO[C@H](C(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1)C(C)C ZINC001571298264 946210170 /nfs/dbraw/zinc/21/01/70/946210170.db2.gz MAROSQRSWXYUFZ-KRWDZBQOSA-N 1 0 390.463 1.757 20 0 GDADRO CC[C@H](OC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571298458 946215639 /nfs/dbraw/zinc/21/56/39/946215639.db2.gz OHMBLRYGNJNZIU-RDJZCZTQSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H]1CN(C(=O)c2csnn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571298503 946218581 /nfs/dbraw/zinc/21/85/81/946218581.db2.gz PMNVTDZEAOVKGI-UWVGGRQHSA-N 1 0 390.498 1.278 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC001571298740 946227863 /nfs/dbraw/zinc/22/78/63/946227863.db2.gz CVCBPNQORWNHJN-AWEZNQCLSA-N 1 0 390.879 1.094 20 0 GDADRO O=C([C@@H]1C[C@H]1c1cccnc1)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571299077 946237081 /nfs/dbraw/zinc/23/70/81/946237081.db2.gz UGKSCMHTHOELPZ-JKSUJKDBSA-N 1 0 390.451 1.285 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571299144 946241357 /nfs/dbraw/zinc/24/13/57/946241357.db2.gz JDSSRGBQCUHSBD-SCDSUCTJSA-N 1 0 390.879 1.316 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@H]1CCCN1C(=O)[C@@H]1CCCOC1 ZINC001571299385 946249017 /nfs/dbraw/zinc/24/90/17/946249017.db2.gz LZYHHJDXJMJKIV-ZIAGYGMSSA-N 1 0 390.513 1.778 20 0 GDADRO O=C(C[N@@H+]1CCC2(C1)CCOCC2)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822996325 946254433 /nfs/dbraw/zinc/25/44/33/946254433.db2.gz CEEDAQQEHDJOFZ-UHFFFAOYSA-N 1 0 376.848 1.961 20 0 GDADRO CO[C@@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571300330 946280308 /nfs/dbraw/zinc/28/03/08/946280308.db2.gz ZUCKMDLHLBHOQT-LSDHHAIUSA-N 1 0 390.513 1.824 20 0 GDADRO C[NH+](C)CCc1cccc(C(=O)N2CC(Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571306281 946393558 /nfs/dbraw/zinc/39/35/58/946393558.db2.gz JHSZWFRJFKLMTQ-UHFFFAOYSA-N 1 0 391.479 1.907 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC3(F)F)C2)cc1-c1nn[nH]n1 ZINC001571307590 946425479 /nfs/dbraw/zinc/42/54/79/946425479.db2.gz FTGXVPJJIHWILO-YRGRVCCFSA-N 1 0 392.410 1.515 20 0 GDADRO O=C([C@H]1C[C@@H]1C(F)F)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571308332 946431082 /nfs/dbraw/zinc/43/10/82/946431082.db2.gz OUKMJCORJIWVSW-ILXRZTDVSA-N 1 0 392.410 1.085 20 0 GDADRO O=C(c1ncc(-c2nn[nH]n2)cc1Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000823498618 946440022 /nfs/dbraw/zinc/44/00/22/946440022.db2.gz WIKBLJYKFQSOBN-UHFFFAOYSA-N 1 0 391.863 1.100 20 0 GDADRO O=S(=O)(CC[NH2+]CCOc1ccccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562488 946447790 /nfs/dbraw/zinc/44/77/90/946447790.db2.gz SCKHDXPDHXFZFJ-UHFFFAOYSA-N 1 0 391.428 1.448 20 0 GDADRO C[C@H](NC(=O)c1cnccn1)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571310359 946468510 /nfs/dbraw/zinc/46/85/10/946468510.db2.gz CSWOCUJHBCNSAC-LSDHHAIUSA-N 1 0 392.467 1.687 20 0 GDADRO OCCCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000823718482 946471838 /nfs/dbraw/zinc/47/18/38/946471838.db2.gz WHDHOJHHKXMGMB-UHFFFAOYSA-N 1 0 389.410 1.588 20 0 GDADRO CCc1ncncc1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571313165 946512857 /nfs/dbraw/zinc/51/28/57/946512857.db2.gz JARCEMDSDMLJMX-OAHLLOKOSA-N 1 0 392.467 1.471 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)cnn1 ZINC001571315593 946554768 /nfs/dbraw/zinc/55/47/68/946554768.db2.gz LYDFXRCRUWPQBY-RDTXWAMCSA-N 1 0 392.467 1.748 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)ncn1 ZINC001571315644 946555421 /nfs/dbraw/zinc/55/54/21/946555421.db2.gz MVYUKLOWQNOLAU-OAHLLOKOSA-N 1 0 392.467 1.607 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)cnn1 ZINC001571315674 946557529 /nfs/dbraw/zinc/55/75/29/946557529.db2.gz NSQLEFIBXXIVNU-QGZVFWFLSA-N 1 0 392.467 1.702 20 0 GDADRO Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H]2C1 ZINC001571315837 946561398 /nfs/dbraw/zinc/56/13/98/946561398.db2.gz PDSQMKCWBCAXOA-JQFCIGGWSA-N 1 0 392.467 1.673 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)c3cc(C)c(C)cn3)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316135 946565809 /nfs/dbraw/zinc/56/58/09/946565809.db2.gz UTDOSWHMJKGLDL-ZBFHGGJFSA-N 1 0 392.467 1.979 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1n[nH]c2c1CCC2 ZINC001571316574 946581252 /nfs/dbraw/zinc/58/12/52/946581252.db2.gz GYBOZQUMPJRWLZ-HNNXBMFYSA-N 1 0 392.467 1.473 20 0 GDADRO O=C(Cc1ncc[nH]1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571316649 946585143 /nfs/dbraw/zinc/58/51/43/946585143.db2.gz JFLRTGFQQHVRDY-IRXDYDNUSA-N 1 0 392.467 1.398 20 0 GDADRO Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(-c3nn[nH]n3)cc2)[nH]1 ZINC001571316766 946587258 /nfs/dbraw/zinc/58/72/58/946587258.db2.gz MDWZVFUXIIYRBZ-CALCHBBNSA-N 1 0 392.467 1.696 20 0 GDADRO Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c(C2CC2)n1 ZINC001571316856 946589532 /nfs/dbraw/zinc/58/95/32/946589532.db2.gz OGOFDXHJNJNKKF-INIZCTEOSA-N 1 0 392.467 1.482 20 0 GDADRO O=C(c1cn2c(n1)CCCC2)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571317915 946623426 /nfs/dbraw/zinc/62/34/26/946623426.db2.gz YJKRGSSAMHJNBX-OAHLLOKOSA-N 1 0 392.467 1.404 20 0 GDADRO CC(C)C[NH+]1CCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824262197 946636273 /nfs/dbraw/zinc/63/62/73/946636273.db2.gz YDGXKJAPQMUAAW-GOSISDBHSA-N 1 0 383.500 1.636 20 0 GDADRO C[C@@H](CC[S@@](C)=O)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824406191 946685236 /nfs/dbraw/zinc/68/52/36/946685236.db2.gz FKNJUQIJUALNSE-RMKBEBRYSA-N 1 0 376.530 1.578 20 0 GDADRO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573541564 946788862 /nfs/dbraw/zinc/78/88/62/946788862.db2.gz RREYEMFVFCOCLR-SUMWQHHRSA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573542470 946796911 /nfs/dbraw/zinc/79/69/11/946796911.db2.gz JTSWHHIVGATQEK-CXAGYDPISA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)Nc1cccc(C(=O)NCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001573546504 946808795 /nfs/dbraw/zinc/80/87/95/946808795.db2.gz BIWGBQAROKZNDG-UHFFFAOYSA-N 1 0 380.412 1.086 20 0 GDADRO CC(=O)Nc1cccc(C[NH2+][C@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 ZINC001573547063 946826080 /nfs/dbraw/zinc/82/60/80/946826080.db2.gz VQCGKNBHNXQVNQ-LLVKDONJSA-N 1 0 382.428 1.061 20 0 GDADRO C[C@H]1COc2ccccc2C[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825006918 947039108 /nfs/dbraw/zinc/03/91/08/947039108.db2.gz SNDISLQVWQKINI-YOEHRIQHSA-N 1 0 381.436 1.890 20 0 GDADRO C[C@@H]1COCCN1CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825006816 947040173 /nfs/dbraw/zinc/04/01/73/947040173.db2.gz QACVJXYTAZJKIV-CQSZACIVSA-N 1 0 382.472 1.078 20 0 GDADRO CCC[C@@H]1CN(C(=S)Nc2ccccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825255615 947132905 /nfs/dbraw/zinc/13/29/05/947132905.db2.gz XVZBWLAYCVULMA-CQSZACIVSA-N 1 0 389.529 1.996 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H](C)CNc1ncccc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573585396 947256374 /nfs/dbraw/zinc/25/63/74/947256374.db2.gz FMMXCHDSXIFMEJ-LSDHHAIUSA-N 1 0 386.504 1.785 20 0 GDADRO CC(C(=O)N(C)C[C@@H](O)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)=C1CCC1 ZINC001573591852 947323087 /nfs/dbraw/zinc/32/30/87/947323087.db2.gz GSTRFQXIJNRLLD-HNNXBMFYSA-N 1 0 385.472 1.326 20 0 GDADRO CN(CCC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1cc[nH+]cc1 ZINC000825914569 947369401 /nfs/dbraw/zinc/36/94/01/947369401.db2.gz KFPPOEJXTMBDOJ-UHFFFAOYSA-N 1 0 392.467 1.437 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573598293 947443333 /nfs/dbraw/zinc/44/33/33/947443333.db2.gz PQYAMLAVEGFATN-RHSMWYFYSA-N 1 0 380.456 1.357 20 0 GDADRO C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCO1 ZINC001573599065 947448913 /nfs/dbraw/zinc/44/89/13/947448913.db2.gz VFSDTIBMIVAWKW-YJBOKZPZSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573599018 947449715 /nfs/dbraw/zinc/44/97/15/947449715.db2.gz UGGDDLJPFVZUCI-SWLSCSKDSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)c1cccnc1 ZINC001573602632 947471116 /nfs/dbraw/zinc/47/11/16/947471116.db2.gz GGLWSTMVXLALFK-HNNXBMFYSA-N 1 0 379.468 1.956 20 0 GDADRO C[C@H](C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)c1ccc(F)cc1F ZINC001573603643 947494400 /nfs/dbraw/zinc/49/44/00/947494400.db2.gz IXDQZGMBSIHKBQ-NSHDSACASA-N 1 0 387.394 1.636 20 0 GDADRO COCC[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000826159297 947503253 /nfs/dbraw/zinc/50/32/53/947503253.db2.gz ANWUJSJQNXOERX-OAHLLOKOSA-N 1 0 396.499 1.420 20 0 GDADRO COc1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1-c1nn[nH]n1 ZINC000826193561 947591693 /nfs/dbraw/zinc/59/16/93/947591693.db2.gz HOQFESMIBPQANT-KRWDZBQOSA-N 1 0 383.456 1.554 20 0 GDADRO C=Cc1ccc(C(=O)N2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001573355319 947640217 /nfs/dbraw/zinc/64/02/17/947640217.db2.gz NVGIOIOJVNEPME-MRXNPFEDSA-N 1 0 391.435 1.280 20 0 GDADRO C/C(=C\C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1)C1CC1 ZINC001573361648 947693872 /nfs/dbraw/zinc/69/38/72/947693872.db2.gz DFTORSLSWXVKKJ-WZSOIAESSA-N 1 0 381.484 1.997 20 0 GDADRO Cc1c(Cl)cnc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1-c1nn[nH]n1 ZINC000826238103 947700407 /nfs/dbraw/zinc/70/04/07/947700407.db2.gz WNGDNTVIZSDHLM-ZDUSSCGKSA-N 1 0 376.896 1.440 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573367540 947762099 /nfs/dbraw/zinc/76/20/99/947762099.db2.gz DPCZTLKYKBJMIJ-PBHICJAKSA-N 1 0 384.484 1.810 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573368330 947766444 /nfs/dbraw/zinc/76/64/44/947766444.db2.gz MTLZVUVPCSQYKK-MAUKXSAKSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1C ZINC001573369583 947773949 /nfs/dbraw/zinc/77/39/49/947773949.db2.gz UWSOZYCIIXOCHJ-IUODEOHRSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573369911 947780041 /nfs/dbraw/zinc/78/00/41/947780041.db2.gz ZJALIOMTBQYZBV-SJKOYZFVSA-N 1 0 388.447 1.702 20 0 GDADRO C[C@H](C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001573630296 947790626 /nfs/dbraw/zinc/79/06/26/947790626.db2.gz XSZRYGPYSLLDJF-CABCVRRESA-N 1 0 380.456 1.539 20 0 GDADRO CC(=O)CCCC(=O)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573375228 947818819 /nfs/dbraw/zinc/81/88/19/947818819.db2.gz RSRGFXUUQVNOOV-UHFFFAOYSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573376020 947830480 /nfs/dbraw/zinc/83/04/80/947830480.db2.gz VKLFQDNJYRZELT-QGZVFWFLSA-N 1 0 384.484 1.906 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573639739 947848354 /nfs/dbraw/zinc/84/83/54/947848354.db2.gz BYSWJVQAHCCYNU-GOEBONIOSA-N 1 0 384.488 1.539 20 0 GDADRO CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573378050 947855141 /nfs/dbraw/zinc/85/51/41/947855141.db2.gz VGJMTXYQKLJKJZ-CABCVRRESA-N 1 0 385.472 1.742 20 0 GDADRO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573644147 947869391 /nfs/dbraw/zinc/86/93/91/947869391.db2.gz ZCEDEECTJNSTNZ-LRDDRELGSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573647343 947892964 /nfs/dbraw/zinc/89/29/64/947892964.db2.gz IKVSAPCJZPPHBH-MBNYWOFBSA-N 1 0 386.485 1.322 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1)n1cccc1 ZINC001573647640 947899141 /nfs/dbraw/zinc/89/91/41/947899141.db2.gz RAUXKEOZNVPFAS-ZYSHUDEJSA-N 1 0 391.479 1.820 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573384748 947907862 /nfs/dbraw/zinc/90/78/62/947907862.db2.gz WBXBONUFNJAMSQ-SHTZXODSSA-N 1 0 388.447 1.750 20 0 GDADRO Cc1ccnc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1-c1nn[nH]n1 ZINC000826313144 947910867 /nfs/dbraw/zinc/91/08/67/947910867.db2.gz XCCZDMLXSRHNOS-DLBZAZTESA-N 1 0 379.468 1.865 20 0 GDADRO C[C@@H](C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C)n1cccc1 ZINC001573652729 947946767 /nfs/dbraw/zinc/94/67/67/947946767.db2.gz HAMJSIOFKASZTJ-XJKSGUPXSA-N 1 0 382.472 1.689 20 0 GDADRO Cc1nc2n(n1)CCC[C@@H]2NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826329033 947959338 /nfs/dbraw/zinc/95/93/38/947959338.db2.gz NRNAOXCBPNSJAW-SFHVURJKSA-N 1 0 393.499 1.856 20 0 GDADRO C[C@@H](C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573656194 947985960 /nfs/dbraw/zinc/98/59/60/947985960.db2.gz DIAJJPKRFVWSHH-CQSZACIVSA-N 1 0 392.467 1.936 20 0 GDADRO Cc1onc(CC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1-c1nn[nH]n1 ZINC000826343693 947994782 /nfs/dbraw/zinc/99/47/82/947994782.db2.gz KHQRZLWTJYGRBN-UHFFFAOYSA-N 1 0 387.488 1.820 20 0 GDADRO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573657085 947997103 /nfs/dbraw/zinc/99/71/03/947997103.db2.gz KJEOHLGBXYAAPA-IFXJQAMLSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573670691 948103272 /nfs/dbraw/zinc/10/32/72/948103272.db2.gz CVKZTXJLMXQBKG-SUMWQHHRSA-N 1 0 380.456 1.094 20 0 GDADRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cn3ccccc3c2-c2nn[nH]n2)cn1 ZINC000826359482 948116321 /nfs/dbraw/zinc/11/63/21/948116321.db2.gz IMSZHKQXBGZRPT-AEFFLSMTSA-N 1 0 392.467 1.941 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573677110 948132699 /nfs/dbraw/zinc/13/26/99/948132699.db2.gz VWGSKHXQXLROMY-GOEBONIOSA-N 1 0 384.488 1.221 20 0 GDADRO CC(=O)N1C[C@H](C)OC2(CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC001573426034 948154724 /nfs/dbraw/zinc/15/47/24/948154724.db2.gz GXEAPWFAQCQHBN-ZDUSSCGKSA-N 1 0 388.447 1.608 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1)n1cccn1 ZINC001573679747 948168341 /nfs/dbraw/zinc/16/83/41/948168341.db2.gz JWZUQKIDRDMBFP-SUMWQHHRSA-N 1 0 380.456 1.309 20 0 GDADRO [NH2+]=C(NOCCOc1cccc(-c2nn[nH]n2)c1)[C@H]1COc2ccccc2O1 ZINC000826388310 948194711 /nfs/dbraw/zinc/19/47/11/948194711.db2.gz RJHROJQKUKVCJO-MRXNPFEDSA-N 1 0 382.380 1.584 20 0 GDADRO Nc1ncnc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1Cl ZINC000826396583 948208055 /nfs/dbraw/zinc/20/80/55/948208055.db2.gz DEXYYFBDLGEIBU-UHFFFAOYSA-N 1 0 385.863 1.605 20 0 GDADRO CC(=O)N1CCC([C@@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CCO2)CC1 ZINC001573434972 948224675 /nfs/dbraw/zinc/22/46/75/948224675.db2.gz UFRQBKYYVSZMEN-MJGOQNOKSA-N 1 0 384.484 1.762 20 0 GDADRO O=C(CCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)NC1CC1 ZINC000826406410 948235640 /nfs/dbraw/zinc/23/56/40/948235640.db2.gz VXCDFDATQSKKAA-UHFFFAOYSA-N 1 0 383.500 1.480 20 0 GDADRO C[C@@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccc(F)c1 ZINC001573692111 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VMCPHBSOSISXSG-WDEREUQCSA-N 1 0 392.510 1.360 20 0 GDADRO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573704352 948372481 /nfs/dbraw/zinc/37/24/81/948372481.db2.gz ATGMGPPYBWQTAZ-ZDUSSCGKSA-N 1 0 381.444 1.052 20 0 GDADRO O=C1[C@H]([NH+]2CCC(c3cn[nH]c3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476593 948383341 /nfs/dbraw/zinc/38/33/41/948383341.db2.gz KWSUWXXDOQSZFI-GOSISDBHSA-N 1 0 392.467 1.965 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001573707502 948434767 /nfs/dbraw/zinc/43/47/67/948434767.db2.gz POEJMUDPJPZVGK-ZIAGYGMSSA-N 1 0 385.497 1.929 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573708572 948453686 /nfs/dbraw/zinc/45/36/86/948453686.db2.gz VUMFPHUYPSCVGD-ZIAGYGMSSA-N 1 0 378.440 1.403 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1CCCO1 ZINC001573729989 948574090 /nfs/dbraw/zinc/57/40/90/948574090.db2.gz XNCMCPBFDPGGSD-RMRHIDDWSA-N 1 0 390.513 1.728 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC001573731074 948586939 /nfs/dbraw/zinc/58/69/39/948586939.db2.gz CVXUOQDKGLAHBQ-WDEREUQCSA-N 1 0 387.394 1.682 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCO1 ZINC001573749325 948699669 /nfs/dbraw/zinc/69/96/69/948699669.db2.gz YGTMHFMDDVXCGC-QXRTWZOPSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccn1 ZINC001573753587 948719708 /nfs/dbraw/zinc/71/97/08/948719708.db2.gz VOMDCQFKQJDIEK-CQDKDKBSSA-N 1 0 384.419 1.200 20 0 GDADRO C[C@H](CNC(=O)CCc1cccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574914312 948749541 /nfs/dbraw/zinc/74/95/41/948749541.db2.gz IGAPOFCFIDIQMY-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574679304 948773012 /nfs/dbraw/zinc/77/30/12/948773012.db2.gz SGQHQTHIXBFXFP-CYBMUJFWSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574916944 948798799 /nfs/dbraw/zinc/79/87/99/948798799.db2.gz MVIHIMNWIHTYEC-LBPRGKRZSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001574080747 948799867 /nfs/dbraw/zinc/79/98/67/948799867.db2.gz MUNFBXACJRQRMS-LYRGGWFBSA-N 1 0 378.427 1.936 20 0 GDADRO CC(C)c1ccoc1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574421971 948827184 /nfs/dbraw/zinc/82/71/84/948827184.db2.gz SINJMMAHRQVGMX-CQSZACIVSA-N 1 0 384.440 1.464 20 0 GDADRO CC(C)[C@H](F)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574081917 948841407 /nfs/dbraw/zinc/84/14/07/948841407.db2.gz XUIVHGYNWVPDPY-XEZPLFJOSA-N 1 0 378.427 1.984 20 0 GDADRO C[C@@H](CNC(=O)CCCn1cccn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574918620 948856277 /nfs/dbraw/zinc/85/62/77/948856277.db2.gz OZHAEUABFYRLHY-ZDUSSCGKSA-N 1 0 386.435 1.277 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(F)F ZINC001573763375 948867346 /nfs/dbraw/zinc/86/73/46/948867346.db2.gz DQFREPMLPSDMJR-GFCCVEGCSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)(C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573765478 948912706 /nfs/dbraw/zinc/91/27/06/948912706.db2.gz JMEHFEJYNJLHSV-KRWDZBQOSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)(C(=O)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001573765568 948917613 /nfs/dbraw/zinc/91/76/13/948917613.db2.gz OFTNMVPBEMVUNK-CQSZACIVSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001574685793 948920497 /nfs/dbraw/zinc/92/04/97/948920497.db2.gz ZTSNPXHENNYEQS-LLVKDONJSA-N 1 0 376.440 1.192 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncn1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921453 948923816 /nfs/dbraw/zinc/92/38/16/948923816.db2.gz XYNXLNREZFTHCM-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001574089020 948940550 /nfs/dbraw/zinc/94/05/50/948940550.db2.gz FQRVHJNIGJKSNR-YXISZKLHSA-N 1 0 384.459 1.844 20 0 GDADRO C[C@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001574688849 948973289 /nfs/dbraw/zinc/97/32/89/948973289.db2.gz AICWVLLLGQSLPU-UONOGXRCSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001574688848 948973584 /nfs/dbraw/zinc/97/35/84/948973584.db2.gz AICWVLLLGQSLPU-KGLIPLIRSA-N 1 0 387.492 1.228 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC001573774677 949015354 /nfs/dbraw/zinc/01/53/54/949015354.db2.gz QAHTXTNHMYSXKR-ZDUSSCGKSA-N 1 0 392.529 1.711 20 0 GDADRO C[C@@H](CNC(=O)C[NH+]1CCCC1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926803 949020630 /nfs/dbraw/zinc/02/06/30/949020630.db2.gz XTDNJCAFKSBQMW-NSHDSACASA-N 1 0 378.868 1.175 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573775060 949031051 /nfs/dbraw/zinc/03/10/51/949031051.db2.gz SZEVVSXKKCAKGL-AWEZNQCLSA-N 1 0 376.436 1.009 20 0 GDADRO CC(C)[C@@H]1C[C@@H](CC(=O)NCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CCO1 ZINC001574092258 949053891 /nfs/dbraw/zinc/05/38/91/949053891.db2.gz MYGMKXUKBNTMKS-YOEHRIQHSA-N 1 0 387.488 1.655 20 0 GDADRO C[C@@H](NC(=O)C(F)F)[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575248969 949086321 /nfs/dbraw/zinc/08/63/21/949086321.db2.gz ABQOEAUKLQEJCK-PWSUYJOCSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)[C@H]1C[C@@H](CC(=O)NCC[NH2+]Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001574093454 949107172 /nfs/dbraw/zinc/10/71/72/949107172.db2.gz RWLSQXOBEPDDDU-MAUKXSAKSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)c1nocc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574443478 949109525 /nfs/dbraw/zinc/10/95/25/949109525.db2.gz YXFULXMBXHYUIF-OAHLLOKOSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574446594 949134017 /nfs/dbraw/zinc/13/40/17/949134017.db2.gz SEXUCZWUYDYRSV-HNNXBMFYSA-N 1 0 384.440 1.464 20 0 GDADRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001574094477 949141416 /nfs/dbraw/zinc/14/14/16/949141416.db2.gz WKCKKAXCYUQJFF-CVEARBPZSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H](c1cnccn1)[N@@H+]1CC[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575514219 949163289 /nfs/dbraw/zinc/16/32/89/949163289.db2.gz BOXWEFWNZBUESJ-OLZOCXBDSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@@H](NC(=O)C1(F)CCOCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575252671 949166444 /nfs/dbraw/zinc/16/64/44/949166444.db2.gz GUFRURWOGHUTPM-CYBMUJFWSA-N 1 0 388.447 1.322 20 0 GDADRO CC(C)c1ocnc1C[NH2+]C1CC(N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574448027 949179988 /nfs/dbraw/zinc/17/99/88/949179988.db2.gz BVKVTQFHTGHRPW-UHFFFAOYSA-N 1 0 384.444 1.699 20 0 GDADRO C[C@@H](CNC(=O)COc1cccnc1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574934934 949182215 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382.468 1.227 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574713906 949619295 /nfs/dbraw/zinc/61/92/95/949619295.db2.gz ZFKMTPKTXWUKBI-IFXJQAMLSA-N 1 0 392.463 1.807 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)COCC1CC1 ZINC001573812794 949620800 /nfs/dbraw/zinc/62/08/00/949620800.db2.gz UAUPLPCSLUAKAV-QGZVFWFLSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574957606 949623518 /nfs/dbraw/zinc/62/35/18/949623518.db2.gz CQOACOCTXKMDMK-TWJWRFFLSA-N 1 0 390.513 1.680 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001574476858 949624364 /nfs/dbraw/zinc/62/43/64/949624364.db2.gz KRNKUBXQHUZILK-KSSFIOAISA-N 1 0 386.500 1.554 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573813269 949631452 /nfs/dbraw/zinc/63/14/52/949631452.db2.gz XTAOLONBGWBIIU-CYBMUJFWSA-N 1 0 381.431 1.974 20 0 GDADRO 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ZINC001575927724 950751526 /nfs/dbraw/zinc/75/15/26/950751526.db2.gz SWRSPXRDADIROK-ZWNOBZJWSA-N 1 0 380.412 1.264 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccn2nccc12 ZINC001575927771 950756722 /nfs/dbraw/zinc/75/67/22/950756722.db2.gz UCNJCLSLHPOFLD-SWLSCSKDSA-N 1 0 389.423 1.046 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccc2[nH]ccc21 ZINC001575927730 950757146 /nfs/dbraw/zinc/75/71/46/950757146.db2.gz SYBVOHVKTODGTI-LRDDRELGSA-N 1 0 388.435 1.880 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1cc[nH]n1 ZINC001574520937 950762288 /nfs/dbraw/zinc/76/22/88/950762288.db2.gz BHQSNTLLEKXSIH-NWDGAFQWSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCn1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574521284 950774292 /nfs/dbraw/zinc/77/42/92/950774292.db2.gz DVMVOJUUERHQJP-CABCVRRESA-N 1 0 382.472 1.526 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cscn1 ZINC001574521339 950774712 /nfs/dbraw/zinc/77/47/12/950774712.db2.gz FOMHNJUQPQHEAO-CHWSQXEVSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1c[nH]cn1 ZINC001574522810 950798904 /nfs/dbraw/zinc/79/89/04/950798904.db2.gz LCJMWUDKGMPZNA-VXGBXAGGSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1c[nH]cn1 ZINC001574522809 950799190 /nfs/dbraw/zinc/79/91/90/950799190.db2.gz LCJMWUDKGMPZNA-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576219473 950804727 /nfs/dbraw/zinc/80/47/27/950804727.db2.gz NXYYVCZPNAUDKX-YGRLFVJLSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)CCCC(=O)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574186311 950807500 /nfs/dbraw/zinc/80/75/00/950807500.db2.gz CMQRBSKMKYWRBO-UHFFFAOYSA-N 1 0 387.488 1.275 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1=COCCO1 ZINC001574523580 950816494 /nfs/dbraw/zinc/81/64/94/950816494.db2.gz OFDRJFRUCPGBQP-NWDGAFQWSA-N 1 0 390.419 1.267 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576220441 950832941 /nfs/dbraw/zinc/83/29/41/950832941.db2.gz QZWLLWDBOXETMZ-QMTHXVAHSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)c1scnc1Cl)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574767138 950836588 /nfs/dbraw/zinc/83/65/88/950836588.db2.gz MECFIIBPQWNQBE-QMMMGPOBSA-N 1 0 378.849 1.366 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1(F)CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574523921 950842582 /nfs/dbraw/zinc/84/25/82/950842582.db2.gz SFPSHOSVQBSTQI-KGLIPLIRSA-N 1 0 390.463 1.758 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC(C)(C)O ZINC001574524285 950852329 /nfs/dbraw/zinc/85/23/29/950852329.db2.gz VDYGXKQIHNSPBF-VXGBXAGGSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CC(C)(C)O ZINC001574524730 950870284 /nfs/dbraw/zinc/87/02/84/950870284.db2.gz YWCHGUXRUXCQNJ-RYUDHWBXSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1=CCOCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574524837 950871170 /nfs/dbraw/zinc/87/11/70/950871170.db2.gz ZPLZDSHHZLNJRI-OLZOCXBDSA-N 1 0 388.447 1.725 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574767941 950872791 /nfs/dbraw/zinc/87/27/91/950872791.db2.gz VLJONRQIFSCPSW-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CN(C)C(=O)c1n[nH]cc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574768047 950881838 /nfs/dbraw/zinc/88/18/38/950881838.db2.gz XDEBYDDEGKZPNV-VIFPVBQESA-N 1 0 376.371 1.118 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@H](O)c1ccccc1F ZINC001575012190 950884347 /nfs/dbraw/zinc/88/43/47/950884347.db2.gz XPBNBHGFFALEKN-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ncccc1O ZINC001574527495 950892435 /nfs/dbraw/zinc/89/24/35/950892435.db2.gz CMYQEOIDBCDJMY-STQMWFEESA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cncn1C ZINC001574527831 950909281 /nfs/dbraw/zinc/90/92/81/950909281.db2.gz HVMBWNHWGVMVPO-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1n[nH]cc1F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574528151 950928736 /nfs/dbraw/zinc/92/87/36/950928736.db2.gz LOEMNFRNJSCARI-ZJUUUORDSA-N 1 0 390.398 1.555 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCO1 ZINC001574771633 950931013 /nfs/dbraw/zinc/93/10/13/950931013.db2.gz IDOLINZDQUDHCK-IUODEOHRSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]CCn1cc(Cl)cn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574528580 950934999 /nfs/dbraw/zinc/93/49/99/950934999.db2.gz NNPKEHVYZIBLRV-QWRGUYRKSA-N 1 0 391.867 1.231 20 0 GDADRO CC(C)(CC(=O)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001573897473 950962450 /nfs/dbraw/zinc/96/24/50/950962450.db2.gz QDTQHYZXTCSJQB-AWEZNQCLSA-N 1 0 385.472 1.149 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575643275 950964427 /nfs/dbraw/zinc/96/44/27/950964427.db2.gz LCSWPMPWHWOSAF-IRXDYDNUSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cncnc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574530037 950971330 /nfs/dbraw/zinc/97/13/30/950971330.db2.gz SPJGDIZPZROUBZ-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccncc1Cl)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574530709 950991278 /nfs/dbraw/zinc/99/12/78/950991278.db2.gz VYKQHSBGHRHXNS-WDEREUQCSA-N 1 0 388.863 1.930 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccnn1C ZINC001574530824 950999471 /nfs/dbraw/zinc/99/94/71/950999471.db2.gz XNHIDSFLIRFZDG-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C1(c2cccnc2)CC1 ZINC001574774398 951004229 /nfs/dbraw/zinc/00/42/29/951004229.db2.gz CDMIQJVWAXCVJN-OAHLLOKOSA-N 1 0 391.479 1.930 20 0 GDADRO CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)nc1 ZINC001575025329 951130118 /nfs/dbraw/zinc/13/01/18/951130118.db2.gz YBBGEDNWKBCRSL-GFCCVEGCSA-N 1 0 382.428 1.096 20 0 GDADRO CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)nc1 ZINC001575025330 951130867 /nfs/dbraw/zinc/13/08/67/951130867.db2.gz YBBGEDNWKBCRSL-LBPRGKRZSA-N 1 0 382.428 1.096 20 0 GDADRO C[C@@H](CNC(=O)c1cccn2ccnc12)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575031589 951197787 /nfs/dbraw/zinc/19/77/87/951197787.db2.gz DYGNJSNFEQDQQL-ZDUSSCGKSA-N 1 0 376.424 1.423 20 0 GDADRO C[C@@H](CNC(=O)c1ccns1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575035006 951265098 /nfs/dbraw/zinc/26/50/98/951265098.db2.gz SAJOQAVJMRFBHD-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1ccn(C(F)F)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575036263 951291044 /nfs/dbraw/zinc/29/10/44/951291044.db2.gz QHKUPUHDNUPKHF-SNVBAGLBSA-N 1 0 376.371 1.366 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(N(C)C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575036714 951300158 /nfs/dbraw/zinc/30/01/58/951300158.db2.gz WQEMMNBIAVLDBT-LLVKDONJSA-N 1 0 386.485 1.297 20 0 GDADRO C[C@H](CNC(=O)c1ccsn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575037539 951304551 /nfs/dbraw/zinc/30/45/51/951304551.db2.gz AHPPUBOHPZEHSG-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2-c2nn[nH]n2)c1 ZINC001575037629 951307705 /nfs/dbraw/zinc/30/77/05/951307705.db2.gz BVSKLNJQSPTQJR-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](CNC(=O)c1cn2ccccc2n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575042701 951370353 /nfs/dbraw/zinc/37/03/53/951370353.db2.gz BATUFIWGYGXTNW-CYBMUJFWSA-N 1 0 376.424 1.423 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044013 951407763 /nfs/dbraw/zinc/40/77/63/951407763.db2.gz NVKMLDFOHNIOFU-GFCCVEGCSA-N 1 0 381.444 1.049 20 0 GDADRO C[C@H](CNC(=O)c1cnc(Cl)n1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575044834 951421065 /nfs/dbraw/zinc/42/10/65/951421065.db2.gz VTNBEHOMBJYOTQ-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)c1cnc2ccccc2c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575045135 951425451 /nfs/dbraw/zinc/42/54/51/951425451.db2.gz ZXAXFVFWXIAIQH-ZDUSSCGKSA-N 1 0 388.435 1.710 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575046235 951437601 /nfs/dbraw/zinc/43/76/01/951437601.db2.gz LQRSAUXSJIJZII-CYBMUJFWSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575046551 951442805 /nfs/dbraw/zinc/44/28/05/951442805.db2.gz OXQWRTYRZQGYTC-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(F)F)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575052886 951473510 /nfs/dbraw/zinc/47/35/10/951473510.db2.gz PWYFDWVBJUXABM-SNVBAGLBSA-N 1 0 376.371 1.366 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cn1 ZINC001575053123 951473868 /nfs/dbraw/zinc/47/38/68/951473868.db2.gz QWVUGMPLLMOSAU-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2c1CCC2)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575055280 951501888 /nfs/dbraw/zinc/50/18/88/951501888.db2.gz PJDFWANKHZPIJC-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@@H](CNC(=O)c1conc1C1CC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575055837 951514412 /nfs/dbraw/zinc/51/44/12/951514412.db2.gz ANHQPPBQMLXGOE-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001575060987 951554351 /nfs/dbraw/zinc/55/43/51/951554351.db2.gz KQIJUYZFLAPMOX-JTQLQIEISA-N 1 0 386.485 1.390 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575062437 951567885 /nfs/dbraw/zinc/56/78/85/951567885.db2.gz WBGIAFUJLPRVHI-JTQLQIEISA-N 1 0 384.419 1.126 20 0 GDADRO C[C@@H](CNC(=O)c1ncsc1C1CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067741 951620477 /nfs/dbraw/zinc/62/04/77/951620477.db2.gz XMZPIKOXDHELBK-SNVBAGLBSA-N 1 0 384.469 1.496 20 0 GDADRO O=C([O-])C[NH+]1CCC([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001595079345 951667427 /nfs/dbraw/zinc/66/74/27/951667427.db2.gz MJDJQBGNYYCHLQ-UHFFFAOYSA-N 1 0 375.469 1.926 20 0 GDADRO C[C@@H](CNC(=O)c1ccccc1O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077816 951674737 /nfs/dbraw/zinc/67/47/37/951674737.db2.gz HYDXBTQFDZIVEP-GFCCVEGCSA-N 1 0 384.415 1.867 20 0 GDADRO C[C@H](CNC(=O)Cc1cscn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078257 951679410 /nfs/dbraw/zinc/67/94/10/951679410.db2.gz KPCRRYSCBVDBJO-NSHDSACASA-N 1 0 389.460 1.547 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ncccc1F ZINC001575078267 951679559 /nfs/dbraw/zinc/67/95/59/951679559.db2.gz KVSMHALLCQAWOX-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575079266 951689469 /nfs/dbraw/zinc/68/94/69/951689469.db2.gz MWIULECUYZXRKL-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575080100 951704117 /nfs/dbraw/zinc/70/41/17/951704117.db2.gz UUGJXURVTBFWFO-DOMZBBRYSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575080127 951704491 /nfs/dbraw/zinc/70/44/91/951704491.db2.gz VONHCGZVXVSNJS-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575080246 951706478 /nfs/dbraw/zinc/70/64/78/951706478.db2.gz QNKLBCDVOFQVFM-BFUOFWGJSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575080682 951712061 /nfs/dbraw/zinc/71/20/61/951712061.db2.gz MQKPJRWPXBSCIQ-QFBILLFUSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cc(O)ccc1Cl ZINC001575080694 951714144 /nfs/dbraw/zinc/71/41/44/951714144.db2.gz MTOGFZHJMODXHV-JTQLQIEISA-N 1 0 389.847 1.710 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575080909 951718441 /nfs/dbraw/zinc/71/84/41/951718441.db2.gz ZYZUOGIPBWIOLE-XIKOKIGWSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cc(F)ccc1F ZINC001575081167 951720549 /nfs/dbraw/zinc/72/05/49/951720549.db2.gz PCFZLDNSDAENMG-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cc1cncs1 ZINC001575081702 951726237 /nfs/dbraw/zinc/72/62/37/951726237.db2.gz RRVDSCMPTMHTMD-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](CNC(=O)[C@@]1(C)CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082070 951730587 /nfs/dbraw/zinc/73/05/87/951730587.db2.gz UWHJPQQCJXWUKG-SGTLLEGYSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](CNC(=O)CC[C@@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082176 951731133 /nfs/dbraw/zinc/73/11/33/951731133.db2.gz VIZQJRIIQFENAJ-HIFRSBDPSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](CNC(=O)c1ccsn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082667 951736000 /nfs/dbraw/zinc/73/60/00/951736000.db2.gz XUVAJYIIBAQANB-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001575088741 951743328 /nfs/dbraw/zinc/74/33/28/951743328.db2.gz BYGKFIJEYLSWEE-KRWDZBQOSA-N 1 0 386.485 1.269 20 0 GDADRO C[C@@H](CNC(=O)c1csnn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089494 951750509 /nfs/dbraw/zinc/75/05/09/951750509.db2.gz GFEUGAPALCCIPJ-SECBINFHSA-N 1 0 376.421 1.013 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1cccnc1 ZINC001575090917 951765232 /nfs/dbraw/zinc/76/52/32/951765232.db2.gz NZORRRAGTWMHII-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091173 951769820 /nfs/dbraw/zinc/76/98/20/951769820.db2.gz PUKLDLXRTXUFOC-CYHLAULCSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001575092170 951790920 /nfs/dbraw/zinc/79/09/20/951790920.db2.gz APYZACZARDUUNE-CYBMUJFWSA-N 1 0 382.472 1.504 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CCF)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093426 951798148 /nfs/dbraw/zinc/79/81/48/951798148.db2.gz JFSNHKGBCWXIDL-ZDUSSCGKSA-N 1 0 386.435 1.188 20 0 GDADRO C[C@@H](CNC(=O)c1c(Cl)cnn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094777 951806899 /nfs/dbraw/zinc/80/68/99/951806899.db2.gz PJBONHXTVFTVKF-LLVKDONJSA-N 1 0 388.863 1.409 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnc(C2CC2)o1 ZINC001575095563 951813370 /nfs/dbraw/zinc/81/33/70/951813370.db2.gz VHNMGGHNYLRWRV-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)C[C@H](C)n1ccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098103 951819936 /nfs/dbraw/zinc/81/99/36/951819936.db2.gz ARIYCMRKTCZFNR-OLZOCXBDSA-N 1 0 388.501 1.618 20 0 GDADRO C[C@H](CNC(=O)CCc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098665 951824106 /nfs/dbraw/zinc/82/41/06/951824106.db2.gz DZLSAFXWBLUWCY-LBPRGKRZSA-N 1 0 388.501 1.136 20 0 GDADRO C[C@H](CNC(=O)c1cn2c(n1)CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099831 951839241 /nfs/dbraw/zinc/83/92/41/951839241.db2.gz PCMFORLDIHDHBL-NSHDSACASA-N 1 0 386.485 1.227 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575100918 951850090 /nfs/dbraw/zinc/85/00/90/951850090.db2.gz WQFXIDLAKHYWIM-OLZOCXBDSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@@H](CNC(=O)c1n[nH]cc1F)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101226 951855270 /nfs/dbraw/zinc/85/52/70/951855270.db2.gz BBRPPYBQOCVYDO-SECBINFHSA-N 1 0 376.371 1.024 20 0 GDADRO C[C@H](CNC(=O)CC1OCCCO1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102016 951865782 /nfs/dbraw/zinc/86/57/82/951865782.db2.gz KLWOABCLGZQJIH-LBPRGKRZSA-N 1 0 392.435 1.001 20 0 GDADRO C[C@H](CNC(=O)COC(C)(C)C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575104137 951881353 /nfs/dbraw/zinc/88/13/53/951881353.db2.gz XQOYGCDEEVXYKL-LBPRGKRZSA-N 1 0 378.452 1.663 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001575106994 951910275 /nfs/dbraw/zinc/91/02/75/951910275.db2.gz XAIMAYNIMRTVHK-LJQANCHMSA-N 1 0 380.456 1.207 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1ccccn1 ZINC001575107303 951917535 /nfs/dbraw/zinc/91/75/35/951917535.db2.gz BXAMQYBWOLJDGI-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001575107606 951918826 /nfs/dbraw/zinc/91/88/26/951918826.db2.gz GINPJRBNISHKPA-WMLDXEAASA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cc(C2CC2)no1 ZINC001575109916 951935478 /nfs/dbraw/zinc/93/54/78/951935478.db2.gz VWIFNQLRTHWOTP-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1coc(C2CC2)n1 ZINC001575114301 951957307 /nfs/dbraw/zinc/95/73/07/951957307.db2.gz OVDIFXMKFVKGOG-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115447 951964446 /nfs/dbraw/zinc/96/44/46/951964446.db2.gz WWSSYLXQGLMAPC-CYBMUJFWSA-N 1 0 392.467 1.690 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001575115539 951965756 /nfs/dbraw/zinc/96/57/56/951965756.db2.gz YCMGGIWLENCFBS-LJQANCHMSA-N 1 0 380.456 1.207 20 0 GDADRO C[C@@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575116507 951970302 /nfs/dbraw/zinc/97/03/02/951970302.db2.gz CZNLJMYAWXCEHF-LBPRGKRZSA-N 1 0 385.476 1.397 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1Cl)[NH+]1CCCCC1 ZINC001575117267 951977632 /nfs/dbraw/zinc/97/76/32/951977632.db2.gz MCGPXJXBMMJVEZ-LLVKDONJSA-N 1 0 384.893 1.673 20 0 GDADRO C[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001575137153 952136388 /nfs/dbraw/zinc/13/63/88/952136388.db2.gz VDRYUVZPBJXGIW-WFASDCNBSA-N 1 0 375.452 1.749 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575144249 952163796 /nfs/dbraw/zinc/16/37/96/952163796.db2.gz HHMJRZHSDNTVER-QGZVFWFLSA-N 1 0 386.847 1.676 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575146377 952192871 /nfs/dbraw/zinc/19/28/71/952192871.db2.gz JSELYTNPLPEPLZ-NSHDSACASA-N 1 0 382.428 1.123 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575146587 952195675 /nfs/dbraw/zinc/19/56/75/952195675.db2.gz LUTSXDSSQAOZQH-CQSZACIVSA-N 1 0 380.456 1.079 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575148130 952202157 /nfs/dbraw/zinc/20/21/57/952202157.db2.gz XRWTVAZGTWYMJG-CYBMUJFWSA-N 1 0 383.431 1.714 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575148222 952203426 /nfs/dbraw/zinc/20/34/26/952203426.db2.gz YYYZYECGOKPNPF-SNVBAGLBSA-N 1 0 388.382 1.589 20 0 GDADRO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC(F)(F)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571115039 952463203 /nfs/dbraw/zinc/46/32/03/952463203.db2.gz QNHDREWIYDVWRW-IMRBUKKESA-N 1 0 375.383 1.166 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001571119779 952493739 /nfs/dbraw/zinc/49/37/39/952493739.db2.gz FNJIJHHJGOEXSC-KCPJHIHWSA-N 1 0 376.411 1.706 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575200615 952496654 /nfs/dbraw/zinc/49/66/54/952496654.db2.gz DJJYVMHVMZBMEK-CQSZACIVSA-N 1 0 382.472 1.359 20 0 GDADRO O=C(c1n[nH]cc1F)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571120640 952505437 /nfs/dbraw/zinc/50/54/37/952505437.db2.gz OHMWGLTVABEEAN-VIFPVBQESA-N 1 0 376.421 1.185 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCC1(F)F)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571121137 952516826 /nfs/dbraw/zinc/51/68/26/952516826.db2.gz WYXCQUQSTIMASB-ABAIWWIYSA-N 1 0 376.411 1.849 20 0 GDADRO C[C@@H](Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N(C)CC1CC1)[NH+](C)C ZINC001575206117 952528198 /nfs/dbraw/zinc/52/81/98/952528198.db2.gz HDCRNLPUYYWKIO-ZDUSSCGKSA-N 1 0 381.488 1.922 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)CC(C)(C)O ZINC001571122838 952528402 /nfs/dbraw/zinc/52/84/02/952528402.db2.gz MGULHXSPXVBALU-XHDPSFHLSA-N 1 0 376.436 1.246 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571124106 952533572 /nfs/dbraw/zinc/53/35/72/952533572.db2.gz YXZFIHXUJIBEEJ-GDBMZVCRSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001571124032 952534273 /nfs/dbraw/zinc/53/42/73/952534273.db2.gz XRTKJGLPRXXYTF-PSTGCABASA-N 1 0 376.486 1.339 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001571124376 952537753 /nfs/dbraw/zinc/53/77/53/952537753.db2.gz HEQBIONWPUUXGQ-GFCCVEGCSA-N 1 0 377.399 1.522 20 0 GDADRO C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124676 952542217 /nfs/dbraw/zinc/54/22/17/952542217.db2.gz QZNVQTQXCVPCNB-WDEREUQCSA-N 1 0 377.399 1.235 20 0 GDADRO CN(C(=O)c1ccncc1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571127138 952550590 /nfs/dbraw/zinc/55/05/90/952550590.db2.gz GYROUVMBAMNNDN-UHFFFAOYSA-N 1 0 377.452 1.998 20 0 GDADRO CC(F)(F)C(=O)N[C@@H]1CC12CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001575212915 952556719 /nfs/dbraw/zinc/55/67/19/952556719.db2.gz NTPWISIIYWFUNH-CQSZACIVSA-N 1 0 376.411 1.993 20 0 GDADRO CCc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001571127747 952559514 /nfs/dbraw/zinc/55/95/14/952559514.db2.gz MLVJZLULAZOGBG-VQFNDLOPSA-N 1 0 377.452 1.617 20 0 GDADRO Cc1ccncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571127870 952560381 /nfs/dbraw/zinc/56/03/81/952560381.db2.gz LGCNGWLVRLOMLP-RDTXWAMCSA-N 1 0 377.452 1.820 20 0 GDADRO Cc1ccncc1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001571127914 952561784 /nfs/dbraw/zinc/56/17/84/952561784.db2.gz MRWJFFQIARKNIE-PBHICJAKSA-N 1 0 377.452 1.963 20 0 GDADRO O=C(NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)c1cc2c([nH]1)CCC2 ZINC001571128134 952563648 /nfs/dbraw/zinc/56/36/48/952563648.db2.gz QJFYFOLYEDHRJG-UHFFFAOYSA-N 1 0 377.452 1.545 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cc(C)n1 ZINC001571128439 952567492 /nfs/dbraw/zinc/56/74/92/952567492.db2.gz SAZPEJPCCRIVQI-SFHVURJKSA-N 1 0 377.452 1.883 20 0 GDADRO C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC001571128491 952568321 /nfs/dbraw/zinc/56/83/21/952568321.db2.gz UUNXOWUDWDMYOM-XHBKTUGNSA-N 1 0 377.452 1.932 20 0 GDADRO Cc1ccncc1C(=O)N[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571134005 952584144 /nfs/dbraw/zinc/58/41/44/952584144.db2.gz BCORCMPZWCSTCV-KGLIPLIRSA-N 1 0 378.440 1.540 20 0 GDADRO C[C@H]1CN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571134164 952586499 /nfs/dbraw/zinc/58/64/99/952586499.db2.gz BJDLDJHQWLVQHX-DZGCQCFKSA-N 1 0 378.440 1.155 20 0 GDADRO Cc1cnccc1CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001571134154 952586520 /nfs/dbraw/zinc/58/65/20/952586520.db2.gz FJEIOFJVTVBKIL-DZGCQCFKSA-N 1 0 378.440 1.031 20 0 GDADRO Cc1cncc(C(=O)N2CC[C@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571135484 952604959 /nfs/dbraw/zinc/60/49/59/952604959.db2.gz YVLSKSMUWIKDPA-CQSZACIVSA-N 1 0 378.440 1.564 20 0 GDADRO O=C(c1ccccc1O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135765 952608102 /nfs/dbraw/zinc/60/81/02/952608102.db2.gz CSLDIRAEHYZXTJ-INIZCTEOSA-N 1 0 378.436 1.967 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)c1ccccc1 ZINC001571135926 952610205 /nfs/dbraw/zinc/61/02/05/952610205.db2.gz IENXHORGPOCWJP-PIIMJCKOSA-N 1 0 378.411 1.866 20 0 GDADRO CC(C)[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571136968 952616943 /nfs/dbraw/zinc/61/69/43/952616943.db2.gz YGYDAMWYXGJYIL-LYRGGWFBSA-N 1 0 378.427 1.936 20 0 GDADRO Cc1nsc(N[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1-c1nn[nH]n1 ZINC001571140972 952629615 /nfs/dbraw/zinc/62/96/15/952629615.db2.gz DEXJTOHWHHOXQW-AAEUAGOBSA-N 1 0 378.506 1.231 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccc(=O)[nH]1 ZINC001571141182 952631731 /nfs/dbraw/zinc/63/17/31/952631731.db2.gz IDFWVSJGUPEJDY-OAHLLOKOSA-N 1 0 379.424 1.362 20 0 GDADRO Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)c1 ZINC001571141214 952631872 /nfs/dbraw/zinc/63/18/72/952631872.db2.gz WKQGXAWXTOLYFL-HALDLXJZSA-N 1 0 379.399 1.574 20 0 GDADRO C[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571141561 952633963 /nfs/dbraw/zinc/63/39/63/952633963.db2.gz IJGNGWXIWLUMIH-RYUDHWBXSA-N 1 0 378.502 1.273 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001571141763 952635667 /nfs/dbraw/zinc/63/56/67/952635667.db2.gz MFMGECLLSORWPD-MLGOLLRUSA-N 1 0 379.424 1.360 20 0 GDADRO O=C(c1ccncn1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571141966 952637784 /nfs/dbraw/zinc/63/77/84/952637784.db2.gz LYTXUMSYTFKUGI-OAHLLOKOSA-N 1 0 378.440 1.299 20 0 GDADRO CS[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571141955 952637824 /nfs/dbraw/zinc/63/78/24/952637824.db2.gz LPTVKGFXOAEBGL-YPMHNXCESA-N 1 0 378.477 1.695 20 0 GDADRO CC(C)[C@H]1CN(C(=O)c2cccc(-c3nn[nH]n3)c2Br)CC[NH2+]1 ZINC001571141976 952638408 /nfs/dbraw/zinc/63/84/08/952638408.db2.gz MGCXVAFZFAVKNZ-GFCCVEGCSA-N 1 0 379.262 1.699 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccncn1 ZINC001571142342 952640912 /nfs/dbraw/zinc/64/09/12/952640912.db2.gz PRAWUXASDAWSKX-HZPDHXFCSA-N 1 0 378.440 1.345 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cc(C2CC2)no1 ZINC001571147007 952655671 /nfs/dbraw/zinc/65/56/71/952655671.db2.gz GKIXTTGKTSIMAI-GASCZTMLSA-N 1 0 379.424 1.783 20 0 GDADRO O=C(c1ncoc1C1CC1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571147846 952664786 /nfs/dbraw/zinc/66/47/86/952664786.db2.gz QZTAZSGKUOSTEF-OAHLLOKOSA-N 1 0 379.424 1.736 20 0 GDADRO Cc1c(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)ccn1C ZINC001571150844 952670265 /nfs/dbraw/zinc/67/02/65/952670265.db2.gz HLUDUKWDKVGFLO-ACJLOTCBSA-N 1 0 379.468 1.764 20 0 GDADRO CN(C(=O)[C@H]1CC1(F)F)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571153366 952686037 /nfs/dbraw/zinc/68/60/37/952686037.db2.gz PTCVJAAXTJNICO-WXRRBKDZSA-N 1 0 380.374 1.740 20 0 GDADRO CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571165650 952753097 /nfs/dbraw/zinc/75/30/97/952753097.db2.gz HIYCXCBAKVBTFU-MRXNPFEDSA-N 1 0 380.456 1.430 20 0 GDADRO Cc1cnn(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571169368 952772468 /nfs/dbraw/zinc/77/24/68/952772468.db2.gz AUARNSKAKLWWBI-QGZVFWFLSA-N 1 0 380.456 1.152 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC001571167251 952772530 /nfs/dbraw/zinc/77/25/30/952772530.db2.gz ZVQGBNAEDKRZQQ-CJNGLKHVSA-N 1 0 380.456 1.620 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n(C)n1 ZINC001571169401 952773739 /nfs/dbraw/zinc/77/37/39/952773739.db2.gz BLWFVXIRSMSXQP-MRXNPFEDSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1cncn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169476 952773965 /nfs/dbraw/zinc/77/39/65/952773965.db2.gz DSHSWGUQCNKIMA-CXAGYDPISA-N 1 0 380.456 1.008 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169560 952776016 /nfs/dbraw/zinc/77/60/16/952776016.db2.gz GUZPOLKYVNLXBF-CVEARBPZSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@H]2C)[nH]n1 ZINC001571169703 952777040 /nfs/dbraw/zinc/77/70/40/952777040.db2.gz KUSJQZKVRTVURF-HIFRSBDPSA-N 1 0 380.456 1.681 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571169656 952777085 /nfs/dbraw/zinc/77/70/85/952777085.db2.gz JSOALOJEDYWVET-CXAGYDPISA-N 1 0 380.456 1.159 20 0 GDADRO Cc1cncc(C[NH2+]C2(C)CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)c1 ZINC001571169923 952780801 /nfs/dbraw/zinc/78/08/01/952780801.db2.gz QNGWBHNUZFPJLN-UHFFFAOYSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1[nH]nc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1C ZINC001571170046 952783344 /nfs/dbraw/zinc/78/33/44/952783344.db2.gz RLAHWIYWMYIIMN-HNNXBMFYSA-N 1 0 380.456 1.459 20 0 GDADRO Cc1nccn1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571171892 952799378 /nfs/dbraw/zinc/79/93/78/952799378.db2.gz HUCBNUVUZYMDND-MRXNPFEDSA-N 1 0 380.456 1.152 20 0 GDADRO Cc1nn(C)c(C)c1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171934 952799409 /nfs/dbraw/zinc/79/94/09/952799409.db2.gz IUKHJOMNSHVRBI-UHFFFAOYSA-N 1 0 380.456 1.079 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571172204 952804075 /nfs/dbraw/zinc/80/40/75/952804075.db2.gz PBDGGWKFQBBECN-HZPDHXFCSA-N 1 0 380.456 1.289 20 0 GDADRO Cc1ncccc1C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C ZINC001571172330 952805795 /nfs/dbraw/zinc/80/57/95/952805795.db2.gz SSFVHJFWDGEVDY-LRDDRELGSA-N 1 0 380.456 1.396 20 0 GDADRO O=C(Cc1cc[nH]n1)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172308 952805848 /nfs/dbraw/zinc/80/58/48/952805848.db2.gz SKKXGPPTEYUXGS-HUUCEWRRSA-N 1 0 380.456 1.350 20 0 GDADRO Cc1ncccc1C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571172404 952807517 /nfs/dbraw/zinc/80/75/17/952807517.db2.gz VKUNQJKNPCVZDF-OAHLLOKOSA-N 1 0 380.456 1.683 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CN1C(=O)c1ccncc1 ZINC001571178206 952835620 /nfs/dbraw/zinc/83/56/20/952835620.db2.gz BCGWABJLEDEHAU-WFASDCNBSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)c1ccc(F)cn1 ZINC001571178837 952848181 /nfs/dbraw/zinc/84/81/81/952848181.db2.gz VZLYVHRCEZVAGF-WBMJQRKESA-N 1 0 381.415 1.794 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)o1 ZINC001571179395 952853199 /nfs/dbraw/zinc/85/31/99/952853199.db2.gz CZYMHPDOIRXGLI-YVEFUNNKSA-N 1 0 381.440 1.485 20 0 GDADRO COc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571183052 952873161 /nfs/dbraw/zinc/87/31/61/952873161.db2.gz NAPYGHKZUWNDGF-IUODEOHRSA-N 1 0 381.440 1.596 20 0 GDADRO CC(C)c1ocnc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571183285 952876322 /nfs/dbraw/zinc/87/63/22/952876322.db2.gz VMEVRGIKPPAPNU-CQSZACIVSA-N 1 0 381.440 1.982 20 0 GDADRO CO[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)c1[nH]ccc1C ZINC001571183286 952876894 /nfs/dbraw/zinc/87/68/94/952876894.db2.gz VOZAZFKGNDSCSK-HZPDHXFCSA-N 1 0 381.440 1.132 20 0 GDADRO CCc1nc[nH]c1C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571183740 952882533 /nfs/dbraw/zinc/88/25/33/952882533.db2.gz ILHZGOVMLHSCKE-LBPRGKRZSA-N 1 0 381.444 1.076 20 0 GDADRO CCCn1nccc1C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571183808 952882896 /nfs/dbraw/zinc/88/28/96/952882896.db2.gz JWHXCQNLQZLZSO-OLZOCXBDSA-N 1 0 381.444 1.005 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@H]2CCCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001571185601 952903308 /nfs/dbraw/zinc/90/33/08/952903308.db2.gz NULDBQQUZPRYRP-JSGCOSHPSA-N 1 0 381.444 1.116 20 0 GDADRO O=C(c1cscn1)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571189123 952925698 /nfs/dbraw/zinc/92/56/98/952925698.db2.gz MNGLFOJYPMNDRL-GDBMZVCRSA-N 1 0 381.465 1.670 20 0 GDADRO Cc1cnc(C[NH2+]C[C@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC001571189360 952929078 /nfs/dbraw/zinc/92/90/78/952929078.db2.gz VMXFMEFMRMDTEN-CQSZACIVSA-N 1 0 381.444 1.078 20 0 GDADRO C[C@H]1CN(C(=O)C(F)F)CC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571194086 952956468 /nfs/dbraw/zinc/95/64/68/952956468.db2.gz IKSJBEVJISFZDB-CMPLNLGQSA-N 1 0 382.390 1.845 20 0 GDADRO Cc1cnc(C(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)cn1 ZINC001571196837 952984195 /nfs/dbraw/zinc/98/41/95/952984195.db2.gz OYMODKFXWNEPHH-AWEZNQCLSA-N 1 0 382.403 1.109 20 0 GDADRO CCc1noc(C)c1C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571198975 952994456 /nfs/dbraw/zinc/99/44/56/952994456.db2.gz JGBTYDZFWAPIMS-LBPRGKRZSA-N 1 0 382.428 1.259 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ncccn1 ZINC001571200389 953009061 /nfs/dbraw/zinc/00/90/61/953009061.db2.gz IFVDRHLOPUTPKE-JOCQHMNTSA-N 1 0 382.403 1.094 20 0 GDADRO Cc1cnoc1C(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571200527 953009780 /nfs/dbraw/zinc/00/97/80/953009780.db2.gz CWNUIFBMCQTXIW-CQSZACIVSA-N 1 0 382.428 1.251 20 0 GDADRO Cc1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)CC[C@@H]32)o1 ZINC001571201298 953016553 /nfs/dbraw/zinc/01/65/53/953016553.db2.gz JUBKJDNFOLCRKW-DOMZBBRYSA-N 1 0 382.428 1.228 20 0 GDADRO Cc1nc(C(=O)N(C)C2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)co1 ZINC001571201678 953019287 /nfs/dbraw/zinc/01/92/87/953019287.db2.gz MXRVJWWCGQIEGD-UHFFFAOYSA-N 1 0 382.428 1.608 20 0 GDADRO CO[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)Cc1ccco1 ZINC001571202014 953022216 /nfs/dbraw/zinc/02/22/16/953022216.db2.gz ULPIRVQYQNTQPJ-IAGOWNOFSA-N 1 0 382.424 1.018 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)on1 ZINC001571202274 953024043 /nfs/dbraw/zinc/02/40/43/953024043.db2.gz SINYQHPFWLNTJB-NHYWBVRUSA-N 1 0 382.428 1.333 20 0 GDADRO Cc1nocc1C[N@@H+]1CC[C@@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@@H]12 ZINC001571205662 953039920 /nfs/dbraw/zinc/03/99/20/953039920.db2.gz KKMCNCZDIAWVTN-QAPCUYQASA-N 1 0 382.428 1.418 20 0 GDADRO Cc1nocc1C[N@@H+]1CC[C@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@H]12 ZINC001571205658 953040251 /nfs/dbraw/zinc/04/02/51/953040251.db2.gz KKMCNCZDIAWVTN-MAUKXSAKSA-N 1 0 382.428 1.418 20 0 GDADRO Cc1ncoc1C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C12CCC2 ZINC001571207129 953059980 /nfs/dbraw/zinc/05/99/80/953059980.db2.gz WAWAUAOYFDVCBP-GJZGRUSLSA-N 1 0 382.428 1.322 20 0 GDADRO C[C@@H]1CN(C(=O)C2=COCCC2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571210180 953070878 /nfs/dbraw/zinc/07/08/78/953070878.db2.gz NNSKZJFPRPZMEC-PBHICJAKSA-N 1 0 382.468 1.745 20 0 GDADRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001571210423 953072266 /nfs/dbraw/zinc/07/22/66/953072266.db2.gz RJYFRNDMNYULDI-GFCCVEGCSA-N 1 0 382.465 1.405 20 0 GDADRO COc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)on1 ZINC001571219184 953123676 /nfs/dbraw/zinc/12/36/76/953123676.db2.gz LLUAAVAUJTZTOM-MQMHXKEQSA-N 1 0 383.412 1.162 20 0 GDADRO COCc1nocc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571220002 953128429 /nfs/dbraw/zinc/12/84/29/953128429.db2.gz WTTWOBNFHKUCOY-ZDUSSCGKSA-N 1 0 383.412 1.005 20 0 GDADRO C[C@H]1CN(C(=O)c2cccn2C)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571230044 953173537 /nfs/dbraw/zinc/17/35/37/953173537.db2.gz RLNQIPFKWXYHKP-LRDDRELGSA-N 1 0 383.431 1.595 20 0 GDADRO Cc1ccc(F)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571230033 953173840 /nfs/dbraw/zinc/17/38/40/953173840.db2.gz RESIRJICFPPRGM-YGUOUDRMSA-N 1 0 383.431 1.941 20 0 GDADRO Cc1[nH]ccc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571230062 953174022 /nfs/dbraw/zinc/17/40/22/953174022.db2.gz RRJKIBYKUCOQDR-JNSHFYNHSA-N 1 0 383.431 1.941 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc[nH]2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571230312 953176268 /nfs/dbraw/zinc/17/62/68/953176268.db2.gz UTZUTKZFQZFDLT-LRDDRELGSA-N 1 0 383.431 1.974 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CN1C(=O)Cc1ccc[nH]1 ZINC001571230392 953176638 /nfs/dbraw/zinc/17/66/38/953176638.db2.gz WZJGXSJMHKTUEI-IUODEOHRSA-N 1 0 383.431 1.656 20 0 GDADRO Cc1ncccc1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571233840 953196016 /nfs/dbraw/zinc/19/60/16/953196016.db2.gz FWOJHTOXDHNNBL-CYBMUJFWSA-N 1 0 383.481 1.884 20 0 GDADRO Cc1nscc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233913 953196632 /nfs/dbraw/zinc/19/66/32/953196632.db2.gz HQOXMESTVUGYBK-HNNXBMFYSA-N 1 0 383.481 1.978 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)Cc3cccs3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233928 953197825 /nfs/dbraw/zinc/19/78/25/953197825.db2.gz IGRMRABGXBVQEG-BDJLRTHQSA-N 1 0 383.481 1.555 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cncc(Cl)c1 ZINC001571235113 953208784 /nfs/dbraw/zinc/20/87/84/953208784.db2.gz UBYZZWHITOONQJ-GASCZTMLSA-N 1 0 383.843 1.966 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571238931 953234319 /nfs/dbraw/zinc/23/43/19/953234319.db2.gz CJPIAAUEDKOKCT-CQSZACIVSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571238922 953234373 /nfs/dbraw/zinc/23/43/73/953234373.db2.gz CEVBSNVNXFVJDY-AWEZNQCLSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1c[nH]nc1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571239934 953245008 /nfs/dbraw/zinc/24/50/08/953245008.db2.gz VBNLPFNWDVNHMU-XHDPSFHLSA-N 1 0 384.419 1.288 20 0 GDADRO O=C(c1n[nH]cc1F)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571241732 953248993 /nfs/dbraw/zinc/24/89/93/953248993.db2.gz JZOPRFFDJLBGAL-UHFFFAOYSA-N 1 0 384.419 1.371 20 0 GDADRO CCc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)o1 ZINC001571243214 953264419 /nfs/dbraw/zinc/26/44/19/953264419.db2.gz ZPARCVYGAYBKBB-CYBMUJFWSA-N 1 0 384.444 1.448 20 0 GDADRO Cc1ncc(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571244694 953266049 /nfs/dbraw/zinc/26/60/49/953266049.db2.gz FFAAYWVRJXZOSU-LBPRGKRZSA-N 1 0 384.469 1.686 20 0 GDADRO C[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571244855 953267441 /nfs/dbraw/zinc/26/74/41/953267441.db2.gz KOYQTVUBXXNDAQ-NEPJUHHUSA-N 1 0 384.469 1.216 20 0 GDADRO Cc1cc(NCC2CCN(C(=O)c3ccsn3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571244912 953268306 /nfs/dbraw/zinc/26/83/06/953268306.db2.gz LWRXIPAZLONLJA-UHFFFAOYSA-N 1 0 384.469 1.413 20 0 GDADRO COc1ccsc1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571244952 953269353 /nfs/dbraw/zinc/26/93/53/953269353.db2.gz AYHYOTVLRJUANR-UHFFFAOYSA-N 1 0 384.465 1.799 20 0 GDADRO C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245070 953269736 /nfs/dbraw/zinc/26/97/36/953269736.db2.gz NIZBCQFAWJYDFZ-RYUDHWBXSA-N 1 0 384.469 1.350 20 0 GDADRO CC(C)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571245471 953273596 /nfs/dbraw/zinc/27/35/96/953273596.db2.gz IZEMWRNDHMLVJO-WKULXVSPSA-N 1 0 384.459 1.844 20 0 GDADRO CCc1ncc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571245639 953275497 /nfs/dbraw/zinc/27/54/97/953275497.db2.gz XWXJBSZGHGIWHB-LLVKDONJSA-N 1 0 384.469 1.338 20 0 GDADRO CC1(C)CN(C(=O)c2cnccn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571245847 953278015 /nfs/dbraw/zinc/27/80/15/953278015.db2.gz MZXLIVANSBCNRX-AWEZNQCLSA-N 1 0 384.469 1.359 20 0 GDADRO CC1(C)C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001571245877 953278063 /nfs/dbraw/zinc/27/80/63/953278063.db2.gz NQFWZKOHWSNIBN-LVQVYYBASA-N 1 0 384.459 1.846 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)on1 ZINC001571247573 953283135 /nfs/dbraw/zinc/28/31/35/953283135.db2.gz ARCKENNLSBBFPD-MEDUHNTESA-N 1 0 384.444 1.522 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)COC1CCCC1 ZINC001571247895 953287593 /nfs/dbraw/zinc/28/75/93/953287593.db2.gz HUECHFDCTWUETC-KDOFPFPSSA-N 1 0 384.484 1.905 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CN(C(=O)CC2(C)CC2)CCO1 ZINC001571248467 953293602 /nfs/dbraw/zinc/29/36/02/953293602.db2.gz UZYKNGDVISIKET-RHSMWYFYSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H]1CO[C@@H](C(=O)N2CCC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001571248732 953296698 /nfs/dbraw/zinc/29/66/98/953296698.db2.gz YJCLNCFSQHDVLZ-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1cnco1 ZINC001571254416 953338833 /nfs/dbraw/zinc/33/88/33/953338833.db2.gz GKHBVLVLTVABLD-IAQYHMDHSA-N 1 0 385.403 1.682 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)co1 ZINC001571254692 953341012 /nfs/dbraw/zinc/34/10/12/953341012.db2.gz IBTJNLASSPKUQX-CQSZACIVSA-N 1 0 385.403 1.697 20 0 GDADRO Cc1cnoc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571254855 953343430 /nfs/dbraw/zinc/34/34/30/953343430.db2.gz LHCBQMBSHPUGED-CQSZACIVSA-N 1 0 385.403 1.697 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1cocn1 ZINC001571255217 953346796 /nfs/dbraw/zinc/34/67/96/953346796.db2.gz MUSDBIFRNSZRKY-ABAIWWIYSA-N 1 0 385.403 1.682 20 0 GDADRO Cc1conc1C(=O)N1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1C ZINC001571255583 953350659 /nfs/dbraw/zinc/35/06/59/953350659.db2.gz QMUKJQJBXGDUGB-SMDDNHRTSA-N 1 0 385.403 1.695 20 0 GDADRO Cc1ncoc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001571255676 953352520 /nfs/dbraw/zinc/35/25/20/953352520.db2.gz RXEKGNDUTXNTAU-IINYFYTJSA-N 1 0 385.403 1.695 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1cnoc1 ZINC001571256087 953363243 /nfs/dbraw/zinc/36/32/43/953363243.db2.gz XUZWVYLFXGVFJP-MEDUHNTESA-N 1 0 385.403 1.316 20 0 GDADRO COC[C@]1(C(=O)[O-])CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000635020743 953874709 /nfs/dbraw/zinc/87/47/09/953874709.db2.gz RAFUXEFYJQTHGR-NRFANRHFSA-N 1 0 389.496 1.322 20 0 GDADRO C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC1 ZINC001593781447 954671876 /nfs/dbraw/zinc/67/18/76/954671876.db2.gz YWSCBQLDIXYIEC-INIZCTEOSA-N 1 0 378.517 1.696 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)cc2)CC1 ZINC000864587208 955993029 /nfs/dbraw/zinc/99/30/29/955993029.db2.gz FABVBINYWGWFCR-UHFFFAOYSA-N 1 0 389.500 1.499 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000874388679 956135676 /nfs/dbraw/zinc/13/56/76/956135676.db2.gz YSVUDJAXFYVXQH-GOSISDBHSA-N 1 0 388.512 1.747 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C[C@H]1C[NH+](C)C ZINC001329789570 957707086 /nfs/dbraw/zinc/70/70/86/957707086.db2.gz AFGURXMMMDJULW-CBGDNZLLSA-N 1 0 390.528 1.410 20 0 GDADRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001593197337 994162397 /nfs/dbraw/zinc/16/23/97/994162397.db2.gz ZOSSMILDXCYIAS-DOTOQJQBSA-N 1 0 376.501 1.774 20 0 GDADRO COc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)cc(Cl)c1OCC(N)=O ZINC000172068918 1126076839 /nfs/dbraw/zinc/07/68/39/1126076839.db2.gz LMJYESFZDGKJEO-QAPCUYQASA-N 1 0 376.840 1.961 20 0 GDADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)cc1C ZINC000453635267 1126093425 /nfs/dbraw/zinc/09/34/25/1126093425.db2.gz SDCPNKUQPKAEKV-PMACEKPBSA-N 1 0 391.537 1.727 20 0 GDADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)cc1C ZINC001592147879 1126216880 /nfs/dbraw/zinc/21/68/80/1126216880.db2.gz JMTRYJBLMDELLJ-MRXNPFEDSA-N 1 0 378.440 1.219 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000158432316 530532529 /nfs/dbraw/zinc/53/25/29/530532529.db2.gz HTBCOEHRCJGTFP-CQSZACIVSA-N 1 0 388.559 1.508 20 0 GDADRO CN(CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)s1 ZINC000158440527 530532576 /nfs/dbraw/zinc/53/25/76/530532576.db2.gz KQAUDJNZBLWCBG-GHMZBOCLSA-N 1 0 379.935 1.656 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c1Br ZINC000158951507 530537842 /nfs/dbraw/zinc/53/78/42/530537842.db2.gz ZDLWRUXRKRQSQT-ZDUSSCGKSA-N 1 0 391.331 1.883 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000158994824 530538187 /nfs/dbraw/zinc/53/81/87/530538187.db2.gz OVMLWYJNIJQEGI-NSHDSACASA-N 1 0 394.269 1.503 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(Br)c1 ZINC000158980199 530538217 /nfs/dbraw/zinc/53/82/17/530538217.db2.gz SPZIVFBZBKNDSC-LLVKDONJSA-N 1 0 395.294 1.713 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1Br ZINC000158963950 530538481 /nfs/dbraw/zinc/53/84/81/530538481.db2.gz GZQQIEHIPGQWRZ-ZDUSSCGKSA-N 1 0 391.331 1.883 20 0 GDADRO O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159123912 530539673 /nfs/dbraw/zinc/53/96/73/530539673.db2.gz MUXIJONFACLNCP-QGZVFWFLSA-N 1 0 383.539 1.748 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000161542781 530561473 /nfs/dbraw/zinc/56/14/73/530561473.db2.gz QAZWWGJDPGUVME-RYUDHWBXSA-N 1 0 394.269 1.821 20 0 GDADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(I)c2)CC1 ZINC000161973552 530564930 /nfs/dbraw/zinc/56/49/30/530564930.db2.gz MLHNSHNAKIRXAX-UHFFFAOYSA-N 1 0 387.221 1.394 20 0 GDADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(I)cc2)CC1 ZINC000161993306 530565191 /nfs/dbraw/zinc/56/51/91/530565191.db2.gz DFKBFOLRKFAEGW-UHFFFAOYSA-N 1 0 387.221 1.394 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CCO1 ZINC000163309121 530574615 /nfs/dbraw/zinc/57/46/15/530574615.db2.gz ZLXONPIQHJPBMN-NHYWBVRUSA-N 1 0 379.258 1.823 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000163243950 530574803 /nfs/dbraw/zinc/57/48/03/530574803.db2.gz ICUOQRQZTSHYSC-BXUZGUMPSA-N 1 0 399.289 1.535 20 0 GDADRO O[C@@H](CN1CCOCC1)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163937983 530578186 /nfs/dbraw/zinc/57/81/86/530578186.db2.gz HJWQSKUGDZZYHJ-GOSISDBHSA-N 1 0 398.345 1.260 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(Br)nc1 ZINC000166396357 530582871 /nfs/dbraw/zinc/58/28/71/530582871.db2.gz WFEDTABKAMALQV-CYBMUJFWSA-N 1 0 398.305 1.908 20 0 GDADRO COCC[N@H+](C)CCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000171127855 530594789 /nfs/dbraw/zinc/59/47/89/530594789.db2.gz ZUBZRLHJVJKPIL-SNVBAGLBSA-N 1 0 392.319 1.323 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000171154837 530594825 /nfs/dbraw/zinc/59/48/25/530594825.db2.gz NXQZQFYQAJTEPF-UHFFFAOYSA-N 1 0 398.345 1.796 20 0 GDADRO C[C@]12CCC(=O)N1[C@H](C(=O)NCC1([NH+]3CCSCC3)CCCC1)CS2 ZINC000029369823 530595277 /nfs/dbraw/zinc/59/52/77/530595277.db2.gz YXYNCYPSGHVMID-YOEHRIQHSA-N 1 0 383.583 1.918 20 0 GDADRO O=C(CSCc1cc(=O)n2ccsc2n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171442763 530599263 /nfs/dbraw/zinc/59/92/63/530599263.db2.gz MFQFLHPIEAQILW-CQSZACIVSA-N 1 0 378.523 1.686 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(Cl)nc3Cl)C2)CC1 ZINC000171597976 530601147 /nfs/dbraw/zinc/60/11/47/530601147.db2.gz VVRLMLGIHQGJOP-LBPRGKRZSA-N 1 0 393.340 1.789 20 0 GDADRO C[C@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000171880488 530604712 /nfs/dbraw/zinc/60/47/12/530604712.db2.gz JXGHBEWFQLHFEJ-LLVKDONJSA-N 1 0 380.290 1.691 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(S(N)(=O)=O)s1)c1cccc(F)c1 ZINC000032731687 530609004 /nfs/dbraw/zinc/60/90/04/530609004.db2.gz SYGAKFATHWJABO-AWEZNQCLSA-N 1 0 385.486 1.496 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000173210065 530626062 /nfs/dbraw/zinc/62/60/62/530626062.db2.gz RIAODIWPLPDRQB-GFCCVEGCSA-N 1 0 394.269 1.869 20 0 GDADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173224690 530626970 /nfs/dbraw/zinc/62/69/70/530626970.db2.gz AYLYUUXTQPWPNZ-GFCCVEGCSA-N 1 0 382.233 1.999 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000174127319 530643690 /nfs/dbraw/zinc/64/36/90/530643690.db2.gz CKXUCTJZPPVUME-NSHDSACASA-N 1 0 385.262 1.981 20 0 GDADRO COc1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1Br ZINC000042741753 530630803 /nfs/dbraw/zinc/63/08/03/530630803.db2.gz HXHMVGQQHQZRQS-UHFFFAOYSA-N 1 0 384.274 1.304 20 0 GDADRO CC(C)[NH+](CCCNS(=O)(=O)c1ccccc1S(C)(=O)=O)C(C)C ZINC000173526276 530632002 /nfs/dbraw/zinc/63/20/02/530632002.db2.gz XAOUDTNLGNIVEF-UHFFFAOYSA-N 1 0 376.544 1.877 20 0 GDADRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000043115626 530633851 /nfs/dbraw/zinc/63/38/51/530633851.db2.gz XYQLTZAIVGLNQI-UHFFFAOYSA-N 1 0 387.571 1.785 20 0 GDADRO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@H](CSc2ccccc2)C1 ZINC000174143201 530643995 /nfs/dbraw/zinc/64/39/95/530643995.db2.gz KWINFAXIGSNHEA-PMPSAXMXSA-N 1 0 382.551 1.792 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000173814181 530637508 /nfs/dbraw/zinc/63/75/08/530637508.db2.gz LWRIHSXVLNTPAU-NSHDSACASA-N 1 0 381.278 1.691 20 0 GDADRO 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C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000175084024 530658761 /nfs/dbraw/zinc/65/87/61/530658761.db2.gz KKARIJUAIXJGIP-NEPJUHHUSA-N 1 0 378.491 1.380 20 0 GDADRO CC(C)[NH+]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 ZINC000047841151 530663614 /nfs/dbraw/zinc/66/36/14/530663614.db2.gz UOSGEMLNAFOZHG-OAHLLOKOSA-N 1 0 385.555 1.844 20 0 GDADRO O=C(CCN1CCN2C(=O)NC[C@H]2C1)Nc1ccc(Br)cc1F ZINC000175903467 530672568 /nfs/dbraw/zinc/67/25/68/530672568.db2.gz GAEJQTDIPHBSHJ-NSHDSACASA-N 1 0 385.237 1.626 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCN(C(C)C)CC2)ccc1Br ZINC000175884270 530672626 /nfs/dbraw/zinc/67/26/26/530672626.db2.gz DDGXQWZSTHUTPG-UHFFFAOYSA-N 1 0 384.274 1.949 20 0 GDADRO C[C@@H]1C[NH+](CCCCNC(=O)c2c[nH]c(=O)c(Br)c2)C[C@@H](C)O1 ZINC000176138118 530677665 /nfs/dbraw/zinc/67/76/65/530677665.db2.gz UJZKDMGDJORINR-VXGBXAGGSA-N 1 0 386.290 1.757 20 0 GDADRO CCN(CCCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)S(C)(=O)=O ZINC000052558262 530685476 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GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000181285805 530780699 /nfs/dbraw/zinc/78/06/99/530780699.db2.gz PGQSLRRRDKXERW-MDZLAQPJSA-N 1 0 379.324 1.342 20 0 GDADRO Cn1cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc(Br)c1=O ZINC000181446843 530783825 /nfs/dbraw/zinc/78/38/25/530783825.db2.gz ZJQDXFZJICOEMR-UHFFFAOYSA-N 1 0 399.289 1.079 20 0 GDADRO Cn1cnc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1Cl ZINC000181473740 530784329 /nfs/dbraw/zinc/78/43/29/530784329.db2.gz ZHLUBJZEOILICR-CQSZACIVSA-N 1 0 384.889 1.119 20 0 GDADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000181515837 530785995 /nfs/dbraw/zinc/78/59/95/530785995.db2.gz MKWHXSMSNIZWDP-CYBMUJFWSA-N 1 0 388.306 1.284 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)s1 ZINC000068346239 530786634 /nfs/dbraw/zinc/78/66/34/530786634.db2.gz WAVZFQQULYKBLM-UHFFFAOYSA-N 1 0 387.571 1.970 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000180476178 530767589 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CCS(=O)(=O)NCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000068813349 530791395 /nfs/dbraw/zinc/79/13/95/530791395.db2.gz FXYVRPJQHUYBCD-UHFFFAOYSA-N 1 0 391.331 1.984 20 0 GDADRO NC(=O)C[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000181950408 530792752 /nfs/dbraw/zinc/79/27/52/530792752.db2.gz NPRAYBZXRPMEJI-SWLSCSKDSA-N 1 0 391.295 1.993 20 0 GDADRO O=C(CN1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc(Br)cn1 ZINC000069029260 530793771 /nfs/dbraw/zinc/79/37/71/530793771.db2.gz AVSMQYFJIIOGRL-UHFFFAOYSA-N 1 0 397.317 1.827 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)COc4cc(Br)ccc43)C[C@@H]12 ZINC000184995861 530834521 /nfs/dbraw/zinc/83/45/21/530834521.db2.gz FNCRZUUULDHIER-RAIGVLPGSA-N 1 0 394.269 1.370 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000103498283 530835488 /nfs/dbraw/zinc/83/54/88/530835488.db2.gz YHEXGVFDQSGUJG-UHFFFAOYSA-N 1 0 388.921 1.051 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000183286678 530812775 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[NH3+]Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)co1 ZINC000187245430 530869327 /nfs/dbraw/zinc/86/93/27/530869327.db2.gz PXCPOUYIEGANIK-UHFFFAOYSA-N 1 0 383.857 1.538 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(I)c[nH]2)C[C@H](C)O1 ZINC000115324553 530898129 /nfs/dbraw/zinc/89/81/29/530898129.db2.gz XSKDNUHNZHIKQT-PHIMTYICSA-N 1 0 391.253 1.848 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(I)c[nH]2)CC1 ZINC000115383617 530899492 /nfs/dbraw/zinc/89/94/92/530899492.db2.gz FHRXAEPZEHJOCZ-LLVKDONJSA-N 1 0 390.269 1.375 20 0 GDADRO CN1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCC1=O ZINC000188741342 530900255 /nfs/dbraw/zinc/90/02/55/530900255.db2.gz SVUYRWYCQRNHMP-HNNXBMFYSA-N 1 0 382.302 1.996 20 0 GDADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(C)(C)C ZINC000116372355 530904429 /nfs/dbraw/zinc/90/44/29/530904429.db2.gz IFSFLDGQEQLJCS-OAHLLOKOSA-N 1 0 394.534 1.874 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116900563 530909540 /nfs/dbraw/zinc/90/95/40/530909540.db2.gz LENLOPOCVMKKPX-GFCCVEGCSA-N 1 0 393.303 1.409 20 0 GDADRO CC(C)COC[C@@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000112731958 530884468 /nfs/dbraw/zinc/88/44/68/530884468.db2.gz IIDWLMRQPOCWRD-AWEZNQCLSA-N 1 0 390.468 1.308 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1nc2ncc(Br)cn2n1 ZINC000113197733 530887073 /nfs/dbraw/zinc/88/70/73/530887073.db2.gz DFBKBUIJVSXSHO-GFCCVEGCSA-N 1 0 381.278 1.881 20 0 GDADRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)[NH+](C)C ZINC000188210203 530888370 /nfs/dbraw/zinc/88/83/70/530888370.db2.gz XTFIFVQXHAHZDW-QGZVFWFLSA-N 1 0 390.571 1.876 20 0 GDADRO Cc1cccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c1Br ZINC000188205600 530888681 /nfs/dbraw/zinc/88/86/81/530888681.db2.gz VZGCYDKWVCTPDH-UHFFFAOYSA-N 1 0 376.320 1.283 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000113449493 530890266 /nfs/dbraw/zinc/89/02/66/530890266.db2.gz RLXZWKBXZISUDG-AWEZNQCLSA-N 1 0 385.555 1.946 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000188306351 530891342 /nfs/dbraw/zinc/89/13/42/530891342.db2.gz DPFLYBAATCXTHM-UHFFFAOYSA-N 1 0 385.306 1.481 20 0 GDADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cn1 ZINC000119859019 530932540 /nfs/dbraw/zinc/93/25/40/530932540.db2.gz ISFLSSFBPQWDMP-MRXNPFEDSA-N 1 0 390.281 1.993 20 0 GDADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)Nc1ccc(Br)cn1 ZINC000189420944 530913226 /nfs/dbraw/zinc/91/32/26/530913226.db2.gz VURJOSIVVMBOJW-LBPRGKRZSA-N 1 0 385.306 1.560 20 0 GDADRO COc1ccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)c(Br)c1 ZINC000118102194 530916079 /nfs/dbraw/zinc/91/60/79/530916079.db2.gz KFPCNSDTNNOUQL-CQSZACIVSA-N 1 0 384.274 1.853 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000118577782 530918056 /nfs/dbraw/zinc/91/80/56/530918056.db2.gz MYKQTRPIMCFNCK-WBMJQRKESA-N 1 0 389.327 1.962 20 0 GDADRO C[NH+](C)CCNC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000119513068 530926404 /nfs/dbraw/zinc/92/64/04/530926404.db2.gz PWUFKOIATACEPU-UHFFFAOYSA-N 1 0 395.628 1.561 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2c(C)nn(C)c2OCC(F)(F)F)C1 ZINC000190282917 530927666 /nfs/dbraw/zinc/92/76/66/530927666.db2.gz TVVBXCRVMISQPU-UHFFFAOYSA-N 1 0 384.424 1.041 20 0 GDADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121572573 530958981 /nfs/dbraw/zinc/95/89/81/530958981.db2.gz ROQHKFSIMMTLKG-OAHLLOKOSA-N 1 0 376.906 1.436 20 0 GDADRO C[NH+]1CCC(CCNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000121715641 530960865 /nfs/dbraw/zinc/96/08/65/530960865.db2.gz ZHEQSZPHMZJZPI-UHFFFAOYSA-N 1 0 387.933 1.857 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(Br)nn3C)CC2)c1 ZINC000192112607 530962518 /nfs/dbraw/zinc/96/25/18/530962518.db2.gz DAJBHEVLGDMBKF-UHFFFAOYSA-N 1 0 380.246 1.549 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000192175614 530964053 /nfs/dbraw/zinc/96/40/53/530964053.db2.gz HMPBNWPDCLNCBJ-CQSZACIVSA-N 1 0 398.276 1.967 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 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GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000193100798 530979492 /nfs/dbraw/zinc/97/94/92/530979492.db2.gz PWECKMVIYYTWMT-UHFFFAOYSA-N 1 0 397.875 1.857 20 0 GDADRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])c(OC)cc1Br ZINC000193246145 530982120 /nfs/dbraw/zinc/98/21/20/530982120.db2.gz YYIQHDSQKQCKHG-SNVBAGLBSA-N 1 0 393.303 1.968 20 0 GDADRO C[C@@H]([NH3+])CCC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000193232126 530982474 /nfs/dbraw/zinc/98/24/74/530982474.db2.gz YOOXSLCPMLIKOW-LLVKDONJSA-N 1 0 379.935 1.752 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(I)c1 ZINC000123311565 530982533 /nfs/dbraw/zinc/98/25/33/530982533.db2.gz GZNUQCKBLQOQDR-VXGBXAGGSA-N 1 0 380.251 1.839 20 0 GDADRO COc1cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c(OC)cc1Br ZINC000193266249 530982720 /nfs/dbraw/zinc/98/27/20/530982720.db2.gz SBESTEZDKJVKTK-JTQLQIEISA-N 1 0 393.303 1.744 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1OC(F)F ZINC000123476960 530984350 /nfs/dbraw/zinc/98/43/50/530984350.db2.gz 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380.286 1.966 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Br)c(C)[nH]c3=O)C2)CC1 ZINC000126827809 531023286 /nfs/dbraw/zinc/02/32/86/531023286.db2.gz VKQCDJHUMFMLQJ-CYBMUJFWSA-N 1 0 397.317 1.710 20 0 GDADRO C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000127410721 531029528 /nfs/dbraw/zinc/02/95/28/531029528.db2.gz XUOOTDFDGSMSQC-UHFFFAOYSA-N 1 0 394.324 1.826 20 0 GDADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000127522559 531030857 /nfs/dbraw/zinc/03/08/57/531030857.db2.gz BIQYSNIRKAJAOR-INIZCTEOSA-N 1 0 388.295 1.913 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc(F)cc1I ZINC000226247316 531031433 /nfs/dbraw/zinc/03/14/33/531031433.db2.gz YRAVHJHKHNDLRT-UHFFFAOYSA-N 1 0 391.228 1.408 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000227925260 531032175 /nfs/dbraw/zinc/03/21/75/531032175.db2.gz PGEHCFAYSXUORV-UHFFFAOYSA-N 1 0 380.283 1.114 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CCO1 ZINC000229507135 531033614 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CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccncc1Br ZINC000151555404 531139178 /nfs/dbraw/zinc/13/91/78/531139178.db2.gz CLNUEKUQADTSMP-CQSZACIVSA-N 1 0 383.290 1.517 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000262117225 531108537 /nfs/dbraw/zinc/10/85/37/531108537.db2.gz NAEWXZIYNAHPQX-AWEZNQCLSA-N 1 0 375.256 1.148 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000262137891 531109531 /nfs/dbraw/zinc/10/95/31/531109531.db2.gz YWLKFRSWCZYFFJ-QWRGUYRKSA-N 1 0 389.905 1.408 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000262139494 531110093 /nfs/dbraw/zinc/11/00/93/531110093.db2.gz YXWUPWATMLUVQV-UHFFFAOYSA-N 1 0 375.878 1.034 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000262187445 531111826 /nfs/dbraw/zinc/11/18/26/531111826.db2.gz ZLVOYOXPTAMVCT-INIZCTEOSA-N 1 0 398.301 1.956 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1C(F)(F)F ZINC000262194521 531111846 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O=C(NCc1ccc(O)c(Br)c1)NCC1CC[NH+](CCO)CC1 ZINC000139865097 531120961 /nfs/dbraw/zinc/12/09/61/531120961.db2.gz HGHAQTCIYFAKBT-UHFFFAOYSA-N 1 0 386.290 1.658 20 0 GDADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000262443750 531121036 /nfs/dbraw/zinc/12/10/36/531121036.db2.gz IFZRUSDHZFYHEF-SECBINFHSA-N 1 0 379.276 1.512 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000262527420 531123216 /nfs/dbraw/zinc/12/32/16/531123216.db2.gz BXAXVBCYBGIYSU-GOEBONIOSA-N 1 0 385.555 1.202 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC[C@H]3C[NH3+])C2)s1 ZINC000262536128 531123799 /nfs/dbraw/zinc/12/37/99/531123799.db2.gz OMARJEKOIRABNP-GJZGRUSLSA-N 1 0 385.555 1.797 20 0 GDADRO CSCC[C@H](NC(N)=O)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000146045490 531124873 /nfs/dbraw/zinc/12/48/73/531124873.db2.gz NXKKIUYRBDUOHC-HNNXBMFYSA-N 1 0 382.555 1.964 20 0 GDADRO Cc1c(C(=O)N[C@](C)(C[NH3+])C(C)C)cc(Br)cc1S(N)(=O)=O ZINC000262633817 531125742 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1.684 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc3c(cc2Br)OCCO3)CC[NH2+]1 ZINC000262752196 531129128 /nfs/dbraw/zinc/12/91/28/531129128.db2.gz CFFLBLHKXZMYFU-ZJUUUORDSA-N 1 0 391.287 1.639 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000262765612 531129652 /nfs/dbraw/zinc/12/96/52/531129652.db2.gz KRRBFJZFGYSZEI-ZDUSSCGKSA-N 1 0 389.905 1.357 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1Br ZINC000262778436 531129953 /nfs/dbraw/zinc/12/99/53/531129953.db2.gz OFRHTQQDMVRMBA-ZJUUUORDSA-N 1 0 390.303 1.778 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1Br ZINC000262793654 531130840 /nfs/dbraw/zinc/13/08/40/531130840.db2.gz SGLJPEVQZHVTGC-UWVGGRQHSA-N 1 0 393.303 1.837 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1F ZINC000262809469 531131809 /nfs/dbraw/zinc/13/18/09/531131809.db2.gz XTHROJMNXPBCAW-FZMZJTMJSA-N 1 0 393.506 1.252 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000262807337 531132048 /nfs/dbraw/zinc/13/20/48/531132048.db2.gz XCNPNIDYOPUHID-ZFWWWQNUSA-N 1 0 387.571 1.729 20 0 GDADRO CN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[C@@H]1CCC[N@H+](C)C1 ZINC000151191819 531134882 /nfs/dbraw/zinc/13/48/82/531134882.db2.gz DXAGMIUCEAQSHI-CABCVRRESA-N 1 0 385.555 1.844 20 0 GDADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000151274320 531135958 /nfs/dbraw/zinc/13/59/58/531135958.db2.gz PDPFPRSBPYNZDY-INIZCTEOSA-N 1 0 387.933 1.807 20 0 GDADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000151639081 531141036 /nfs/dbraw/zinc/14/10/36/531141036.db2.gz FPAZXVSKCUJMEG-MRXNPFEDSA-N 1 0 386.539 1.338 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O)CC(C)C ZINC000151664817 531141330 /nfs/dbraw/zinc/14/13/30/531141330.db2.gz NGHLGRGTDMMRML-DLBZAZTESA-N 1 0 375.579 1.919 20 0 GDADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1cc(Cl)cnc1N ZINC000152741893 531156390 /nfs/dbraw/zinc/15/63/90/531156390.db2.gz BJDNTNGJCWHEAR-UHFFFAOYSA-N 1 0 384.889 1.736 20 0 GDADRO CN(C)c1ncc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cn1 ZINC000263856236 531157759 /nfs/dbraw/zinc/15/77/59/531157759.db2.gz RZEDMGMFLHYLJC-UHFFFAOYSA-N 1 0 378.274 1.825 20 0 GDADRO Cc1c(C(=O)NC[C@@](C)(O)C[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000152889063 531158689 /nfs/dbraw/zinc/15/86/89/531158689.db2.gz UEASNXMQACJRGQ-QGZVFWFLSA-N 1 0 395.301 1.986 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000152897075 531158886 /nfs/dbraw/zinc/15/88/86/531158886.db2.gz WEUQDQQMNLXWNS-SJKOYZFVSA-N 1 0 398.301 1.231 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccsc1 ZINC000263930483 531160914 /nfs/dbraw/zinc/16/09/14/531160914.db2.gz UQNSXQQDKGYOME-UKRRQHHQSA-N 1 0 380.495 1.197 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000153066514 531162144 /nfs/dbraw/zinc/16/21/44/531162144.db2.gz ARXBYEKHGAAISZ-SJCJKPOMSA-N 1 0 388.295 1.775 20 0 GDADRO C[C@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C[C@H](C)[NH2+]1 ZINC000153799321 531171970 /nfs/dbraw/zinc/17/19/70/531171970.db2.gz TWRALXGAJBGJNB-QWRGUYRKSA-N 1 0 382.258 1.383 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000153798434 531172418 /nfs/dbraw/zinc/17/24/18/531172418.db2.gz FKXFGWGEYJEJKW-NSHDSACASA-N 1 0 379.935 1.670 20 0 GDADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000153893035 531173684 /nfs/dbraw/zinc/17/36/84/531173684.db2.gz FVMABXARUUXRLW-NSHDSACASA-N 1 0 379.935 1.528 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000153960160 531175200 /nfs/dbraw/zinc/17/52/00/531175200.db2.gz JJGHYKVRQNYDCL-HOCLYGCPSA-N 1 0 388.555 1.945 20 0 GDADRO CC(C)[N@H+](C)CCCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000264282954 531176853 /nfs/dbraw/zinc/17/68/53/531176853.db2.gz ZCNILHMPIZREAU-UHFFFAOYSA-N 1 0 398.348 1.618 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000154411274 531183483 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GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000408024508 531211929 /nfs/dbraw/zinc/21/19/29/531211929.db2.gz CHVMKXFHFCCQLO-UONOGXRCSA-N 1 0 391.490 1.102 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C[C@H]1[NH+](C)C ZINC000408065390 531215246 /nfs/dbraw/zinc/21/52/46/531215246.db2.gz ZALPWNOJFSMHRU-RISCZKNCSA-N 1 0 392.930 1.777 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000519760396 531219409 /nfs/dbraw/zinc/21/94/09/531219409.db2.gz HRGMBYGONRXDLM-DOMZBBRYSA-N 1 0 382.302 1.755 20 0 GDADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCC(=O)N1 ZINC000519687003 531217830 /nfs/dbraw/zinc/21/78/30/531217830.db2.gz VINDNPSDMHBHDY-AAEUAGOBSA-N 1 0 395.301 1.807 20 0 GDADRO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290270695 531219742 /nfs/dbraw/zinc/21/97/42/531219742.db2.gz YMBUAJQMJWQRBO-BFHYXJOUSA-N 1 0 392.297 1.870 20 0 GDADRO CN(CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)c1ccc(Br)s1 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390.267 1.777 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000472393814 531228461 /nfs/dbraw/zinc/22/84/61/531228461.db2.gz HXCNKRMRHMQBJH-LLVKDONJSA-N 1 0 389.905 1.529 20 0 GDADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000276793817 531230072 /nfs/dbraw/zinc/23/00/72/531230072.db2.gz YJFTYRZQYHIWSD-UHFFFAOYSA-N 1 0 390.347 1.592 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000520583595 531231397 /nfs/dbraw/zinc/23/13/97/531231397.db2.gz XQCXLXKAFXFIIM-RYUDHWBXSA-N 1 0 387.311 1.884 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000520622001 531232778 /nfs/dbraw/zinc/23/27/78/531232778.db2.gz OZBULOFMNHOYHW-NSHDSACASA-N 1 0 381.951 1.869 20 0 GDADRO COc1cc(C)c(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1Cl ZINC000433879796 531235854 /nfs/dbraw/zinc/23/58/54/531235854.db2.gz XQCJYLXUNDSZPX-UHFFFAOYSA-N 1 0 376.906 1.640 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(S(N)(=O)=O)s1)c1ccco1 ZINC000520868837 531236628 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20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)s1 ZINC000408462263 531243373 /nfs/dbraw/zinc/24/33/73/531243373.db2.gz CPFNMKPJXUYKNF-KFWWJZLASA-N 1 0 383.539 1.372 20 0 GDADRO CN(CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C(=O)c1ccc(Br)s1 ZINC000435246418 531258544 /nfs/dbraw/zinc/25/85/44/531258544.db2.gz QPYBUVJAGOLVFP-NSHDSACASA-N 1 0 386.315 1.936 20 0 GDADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000290937583 531266946 /nfs/dbraw/zinc/26/69/46/531266946.db2.gz PNCOGZQMNNTZCB-WDEREUQCSA-N 1 0 380.798 1.795 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000474162458 531269515 /nfs/dbraw/zinc/26/95/15/531269515.db2.gz YMDUVYNKSSKMAR-AWEZNQCLSA-N 1 0 384.274 1.016 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000409742035 531263231 /nfs/dbraw/zinc/26/32/31/531263231.db2.gz PQFKWNNVHFRQAF-UHFFFAOYSA-N 1 0 395.345 1.972 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)N(CC)CCC[NH+](CC)CC)CC1 ZINC000473947454 531265237 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CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c1 ZINC000474616550 531280342 /nfs/dbraw/zinc/28/03/42/531280342.db2.gz CKGATCNPONCYCF-AWEZNQCLSA-N 1 0 388.555 1.676 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O)C(C)(C)C ZINC000410189606 531280801 /nfs/dbraw/zinc/28/08/01/531280801.db2.gz OKHNTHYTUPBUCV-ZNMIVQPWSA-N 1 0 376.567 1.370 20 0 GDADRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)[C@H]1C ZINC000277428451 531281737 /nfs/dbraw/zinc/28/17/37/531281737.db2.gz BTYCWCQSGKGGGO-STQMWFEESA-N 1 0 385.917 1.947 20 0 GDADRO CC[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C[C@H](C)OC ZINC000291271736 531282534 /nfs/dbraw/zinc/28/25/34/531282534.db2.gz POKVBRRYUVCNJG-LBPRGKRZSA-N 1 0 386.290 1.861 20 0 GDADRO C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000474848228 531284999 /nfs/dbraw/zinc/28/49/99/531284999.db2.gz HKOXEWUVEOVETI-HNNXBMFYSA-N 1 0 375.535 1.096 20 0 GDADRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000475091540 531289689 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CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(C)c2I)C1 ZINC000293322678 531414756 /nfs/dbraw/zinc/41/47/56/531414756.db2.gz ZNBPXHTVFDRLHH-SNVBAGLBSA-N 1 0 376.242 1.439 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc2sc(C)nc2cc1Cl ZINC000483925774 531415120 /nfs/dbraw/zinc/41/51/20/531415120.db2.gz CBCLOUPRLVJDHU-UHFFFAOYSA-N 1 0 384.889 1.891 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000447242524 531421542 /nfs/dbraw/zinc/42/15/42/531421542.db2.gz GQERPYPEUKFBLC-SKDRFNHKSA-N 1 0 391.287 1.655 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)CC[NH3+] ZINC000447244023 531421961 /nfs/dbraw/zinc/42/19/61/531421961.db2.gz JWLLAIBXEQMAOB-JTQLQIEISA-N 1 0 381.292 1.490 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000447245784 531422050 /nfs/dbraw/zinc/42/20/50/531422050.db2.gz NWCJCNRWWNXUSV-NEPJUHHUSA-N 1 0 384.889 1.892 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000447252685 531423271 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20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cnc2ccsc2c1 ZINC000447252433 531423060 /nfs/dbraw/zinc/42/30/60/531423060.db2.gz ZDAPXSBIXIBBFE-LBPRGKRZSA-N 1 0 382.511 1.305 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000293401960 531419068 /nfs/dbraw/zinc/41/90/68/531419068.db2.gz YEPMDVDBVZWTNE-CQSZACIVSA-N 1 0 387.933 1.690 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(Br)c1 ZINC000447257815 531423931 /nfs/dbraw/zinc/42/39/31/531423931.db2.gz SSCPVTQVHNEICK-LDYMZIIASA-N 1 0 377.260 1.203 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)C[C@@H]1[NH3+] ZINC000447257334 531424161 /nfs/dbraw/zinc/42/41/61/531424161.db2.gz PGQSKQRPRGNTKI-WPRPVWTQSA-N 1 0 377.260 1.188 20 0 GDADRO CN1CCO[C@H]2CN(C(=O)c3cccc(F)c3I)C[C@H]21 ZINC000533535573 531430739 /nfs/dbraw/zinc/43/07/39/531430739.db2.gz HRJSKSDJBDPLQO-NEPJUHHUSA-N 1 0 390.196 1.585 20 0 GDADRO CO[C@@H](C[NH3+])CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000447442372 531428986 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C[N@@H+]1CC[C@@]2(CCN(C(=O)CSCc3cc(=O)n4ccsc4n3)C2)C1 ZINC000293913353 531451459 /nfs/dbraw/zinc/45/14/59/531451459.db2.gz ORZAVRZYXYEBNY-QGZVFWFLSA-N 1 0 378.523 1.543 20 0 GDADRO Cc1cc(F)cc(S(=O)(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000414457061 531453892 /nfs/dbraw/zinc/45/38/92/531453892.db2.gz KOPHFRUHQKGOPE-HNNXBMFYSA-N 1 0 392.518 1.264 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@H]3CSCCS3)ccn2)CC1 ZINC000267818077 531454391 /nfs/dbraw/zinc/45/43/91/531454391.db2.gz GHXJQQRWPPAMIF-HNNXBMFYSA-N 1 0 381.571 1.481 20 0 GDADRO CC(C)NS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000267853174 531457130 /nfs/dbraw/zinc/45/71/30/531457130.db2.gz NPIQZHVDWALBTD-UHFFFAOYSA-N 1 0 376.548 1.149 20 0 GDADRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(S(N)(=O)=O)cc1Cl ZINC000537223159 531457218 /nfs/dbraw/zinc/45/72/18/531457218.db2.gz FFHMQGVNXVGQFM-UHFFFAOYSA-N 1 0 381.885 1.979 20 0 GDADRO Cc1cc(C)c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1Br ZINC000448684947 531457734 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CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415309482 531473708 /nfs/dbraw/zinc/47/37/08/531473708.db2.gz ZEZFVDWLDQDVRQ-UHFFFAOYSA-N 1 0 384.274 1.984 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487495493 531474124 /nfs/dbraw/zinc/47/41/24/531474124.db2.gz GIXCLUSVVZPKTF-UHFFFAOYSA-N 1 0 388.306 1.531 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415318758 531474291 /nfs/dbraw/zinc/47/42/91/531474291.db2.gz RKMZMIKZVWFNTL-LLVKDONJSA-N 1 0 387.221 1.406 20 0 GDADRO O=C(Nc1cc(Br)ccc1-n1cccn1)C(=O)N1CCC[NH2+]CC1 ZINC000415317513 531474973 /nfs/dbraw/zinc/47/49/73/531474973.db2.gz LLUPUALMPQCHPC-UHFFFAOYSA-N 1 0 392.257 1.395 20 0 GDADRO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449729151 531475382 /nfs/dbraw/zinc/47/53/82/531475382.db2.gz YTCGZGLKJKJTGT-OLZOCXBDSA-N 1 0 377.432 1.934 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000415331871 531475582 /nfs/dbraw/zinc/47/55/82/531475582.db2.gz TZIYBIZTHLIACC-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415327285 531475662 /nfs/dbraw/zinc/47/56/62/531475662.db2.gz HZWGIHRMJVEOMD-LLVKDONJSA-N 1 0 386.246 1.736 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415341694 531476434 /nfs/dbraw/zinc/47/64/34/531476434.db2.gz PIULUBWYHRKPRS-SNVBAGLBSA-N 1 0 377.242 1.756 20 0 GDADRO COc1sc(C[NH2+]CCCCn2cc(C(N)=O)nn2)cc1Br ZINC000414572371 531459652 /nfs/dbraw/zinc/45/96/52/531459652.db2.gz WRYJFZQILVGINZ-UHFFFAOYSA-N 1 0 388.291 1.780 20 0 GDADRO COCC1(C(=O)N(C)CC(=O)Nc2ccc(Br)cn2)CC[NH2+]CC1 ZINC000279904263 531460165 /nfs/dbraw/zinc/46/01/65/531460165.db2.gz KHDRNAPZSMIFRE-UHFFFAOYSA-N 1 0 399.289 1.257 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000267901909 531460405 /nfs/dbraw/zinc/46/04/05/531460405.db2.gz WNYNXRQQKRHIOR-CYBMUJFWSA-N 1 0 375.466 1.419 20 0 GDADRO CCn1cc(Br)cc1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000362428189 531461007 /nfs/dbraw/zinc/46/10/07/531461007.db2.gz HRILSLXFYGZXPB-AWEZNQCLSA-N 1 0 397.317 1.825 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448873469 531461642 /nfs/dbraw/zinc/46/16/42/531461642.db2.gz JTSQNVCHGRNQEB-UHFFFAOYSA-N 1 0 381.274 1.943 20 0 GDADRO [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)NCCc3ccc(Cl)s3)cc2C1 ZINC000414693683 531462616 /nfs/dbraw/zinc/46/26/16/531462616.db2.gz FEBVLTUKYRCHPV-LLVKDONJSA-N 1 0 378.885 1.910 20 0 GDADRO C[C@@H]1CN(Cc2csc(NC(=O)N[C@H](CC[NH3+])C(F)F)n2)C[C@@H](C)O1 ZINC000414728437 531463152 /nfs/dbraw/zinc/46/31/52/531463152.db2.gz CLZSYJHXHSZFMU-CKYFFXLPSA-N 1 0 377.461 1.856 20 0 GDADRO CCOc1cc(CN[C@H](C)C[NH3+])cc(Br)c1OCC(=O)N(C)C ZINC000414927058 531463814 /nfs/dbraw/zinc/46/38/14/531463814.db2.gz KUSFMVWFINUGHJ-LLVKDONJSA-N 1 0 388.306 1.752 20 0 GDADRO CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414931140 531464437 /nfs/dbraw/zinc/46/44/37/531464437.db2.gz QWGZAGXJRIMZTH-PRHODGIISA-N 1 0 379.404 1.331 20 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CCOC(=O)c1c(NC(=O)C(=O)N(C)CC[NH2+]C)sc2c1CCCS2 ZINC000415545345 531492467 /nfs/dbraw/zinc/49/24/67/531492467.db2.gz JSOHNHZOLWKMAY-UHFFFAOYSA-N 1 0 385.511 1.579 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000415543128 531492685 /nfs/dbraw/zinc/49/26/85/531492685.db2.gz CKORKTDQUNLQPP-UHFFFAOYSA-N 1 0 384.267 1.526 20 0 GDADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000294710371 531492752 /nfs/dbraw/zinc/49/27/52/531492752.db2.gz RRZJQUGGWYFKKY-IUODEOHRSA-N 1 0 382.302 1.789 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415662380 531510928 /nfs/dbraw/zinc/51/09/28/531510928.db2.gz RJQVSMFEAIUWKR-JOYOIKCWSA-N 1 0 387.221 1.344 20 0 GDADRO CN(C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)[C@H](C[NH3+])C1CC1 ZINC000415670890 531511973 /nfs/dbraw/zinc/51/19/73/531511973.db2.gz IYXFVRZFMCIGEB-CQSZACIVSA-N 1 0 398.305 1.882 20 0 GDADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000557624586 531512592 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CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCC(C)(C)C ZINC000557680807 531515249 /nfs/dbraw/zinc/51/52/49/531515249.db2.gz ZQYCIXRZAPQQFA-UHFFFAOYSA-N 1 0 376.544 1.736 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415551365 531493933 /nfs/dbraw/zinc/49/39/33/531493933.db2.gz LEIPDGHAMOIRKB-JTQLQIEISA-N 1 0 380.246 1.427 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(I)c2)[C@@H](C)C[NH2+]1 ZINC000415552922 531494368 /nfs/dbraw/zinc/49/43/68/531494368.db2.gz FSZUTEXTNSGRHR-UWVGGRQHSA-N 1 0 387.221 1.439 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)ccc1Br ZINC000415564976 531495396 /nfs/dbraw/zinc/49/53/96/531495396.db2.gz ONGJCGFZFZEEAE-VHSXEESVSA-N 1 0 398.257 1.383 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415573977 531497297 /nfs/dbraw/zinc/49/72/97/531497297.db2.gz VZRIIYJDAANXDR-NXEZZACHSA-N 1 0 398.257 1.383 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccccc1I ZINC000415576149 531497643 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C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280715833 531530326 /nfs/dbraw/zinc/53/03/26/531530326.db2.gz JTKFAPROBKHPAI-SJCJKPOMSA-N 1 0 382.302 1.993 20 0 GDADRO C[C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)Oc1ccc(Br)cc1 ZINC000582052116 531530750 /nfs/dbraw/zinc/53/07/50/531530750.db2.gz NGKTZZODFBBHFW-GFCCVEGCSA-N 1 0 384.274 1.600 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])ccc1Br ZINC000415791567 531531721 /nfs/dbraw/zinc/53/17/21/531531721.db2.gz SMHLSDJLSBBRAA-IUCAKERBSA-N 1 0 386.246 1.335 20 0 GDADRO Cn1ncc(Br)c1C[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000582157377 531537234 /nfs/dbraw/zinc/53/72/34/531537234.db2.gz MVOZBYPYMUCEFL-UHFFFAOYSA-N 1 0 398.305 1.917 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415822087 531537909 /nfs/dbraw/zinc/53/79/09/531537909.db2.gz KGNRANKPWZBZSV-UHFFFAOYSA-N 1 0 381.889 1.951 20 0 GDADRO C[N@H+](CC(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[C@@H]1CCSC1 ZINC000557937139 531538143 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NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000280780829 531539675 /nfs/dbraw/zinc/53/96/75/531539675.db2.gz DZHWWSXWTLABRX-CYBMUJFWSA-N 1 0 394.273 1.395 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CCCO1 ZINC000659087052 531539711 /nfs/dbraw/zinc/53/97/11/531539711.db2.gz GJTCJRWTIQGKOE-MRVPVSSYSA-N 1 0 392.200 1.242 20 0 GDADRO O=C(Nc1ccc(F)c(Br)c1F)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000659084882 531539958 /nfs/dbraw/zinc/53/99/58/531539958.db2.gz BGGWLGNFHQAZQV-KWQFWETISA-N 1 0 388.212 1.876 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000659090346 531540033 /nfs/dbraw/zinc/54/00/33/531540033.db2.gz PTCOZTVKMJLLRT-UHFFFAOYSA-N 1 0 380.246 1.527 20 0 GDADRO O=C(Nc1ccc(F)c(Br)c1F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000659087936 531540137 /nfs/dbraw/zinc/54/01/37/531540137.db2.gz ROUFNCNHMLSOSI-QMMMGPOBSA-N 1 0 376.201 1.924 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000659089020 531540141 /nfs/dbraw/zinc/54/01/41/531540141.db2.gz WXPQTESFDAJDTJ-UHFFFAOYSA-N 1 0 376.201 1.911 20 0 GDADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)COC[C@H]1CCCO1 ZINC000582217250 531541273 /nfs/dbraw/zinc/54/12/73/531541273.db2.gz RRVOOSULOHHWNE-UONOGXRCSA-N 1 0 394.331 1.861 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000659111663 531541232 /nfs/dbraw/zinc/54/12/32/531541232.db2.gz MFJGGDGYAAQSJB-SNVBAGLBSA-N 1 0 379.511 1.969 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[C@H]1F ZINC000659108361 531541479 /nfs/dbraw/zinc/54/14/79/531541479.db2.gz LVYUWBXHKZRLIP-RKDXNWHRSA-N 1 0 380.164 1.564 20 0 GDADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415846021 531541545 /nfs/dbraw/zinc/54/15/45/531541545.db2.gz BLKVQKHOPLJXBD-ZDUSSCGKSA-N 1 0 384.933 1.799 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415845778 531542209 /nfs/dbraw/zinc/54/22/09/531542209.db2.gz BBCNKHUEFKBPCD-SNVBAGLBSA-N 1 0 389.681 1.061 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415851109 531543302 /nfs/dbraw/zinc/54/33/02/531543302.db2.gz OURKGJPKKZGNNL-QWRGUYRKSA-N 1 0 384.274 1.840 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cccc(Br)c1Cl ZINC000415858906 531544300 /nfs/dbraw/zinc/54/43/00/531544300.db2.gz FRSVFDPXDRQLBQ-QMMMGPOBSA-N 1 0 376.638 1.146 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000558084151 531545911 /nfs/dbraw/zinc/54/59/11/531545911.db2.gz STFOLOQSIDJNQV-NSHDSACASA-N 1 0 389.905 1.927 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CCCO1 ZINC000415865775 531546698 /nfs/dbraw/zinc/54/66/98/531546698.db2.gz UXJIDADXOFJRDE-CYBMUJFWSA-N 1 0 396.285 1.453 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000659485797 531548271 /nfs/dbraw/zinc/54/82/71/531548271.db2.gz CLVRRNIFHRJTOF-CHHLVHLRSA-N 1 0 393.285 1.606 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415873080 531548757 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ZINC000281094671 531577307 /nfs/dbraw/zinc/57/73/07/531577307.db2.gz VKJYISRDSKPQLL-UHFFFAOYSA-N 1 0 381.420 1.646 20 0 GDADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCN(C)S(=O)(=O)CC)cc1 ZINC000268851979 531578607 /nfs/dbraw/zinc/57/86/07/531578607.db2.gz WQIWCVXXKZRFRQ-CQSZACIVSA-N 1 0 391.559 1.770 20 0 GDADRO C[C@](O)(C[NH+]1CCC(O)(C(N)=O)CC1)c1ccc(Br)cc1Cl ZINC000295475669 531584245 /nfs/dbraw/zinc/58/42/45/531584245.db2.gz YHWQCIYLFMNEOH-AWEZNQCLSA-N 1 0 391.693 1.622 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1Br ZINC000281183772 531589966 /nfs/dbraw/zinc/58/99/66/531589966.db2.gz LPCMGEKFCFMUOK-PHIMTYICSA-N 1 0 384.249 1.855 20 0 GDADRO Cc1nn(C)c(Cl)c1CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000364724730 531590677 /nfs/dbraw/zinc/59/06/77/531590677.db2.gz RVSFCQHYEDGCNW-ZDUSSCGKSA-N 1 0 376.910 1.008 20 0 GDADRO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281186201 531591181 /nfs/dbraw/zinc/59/11/81/531591181.db2.gz RSRLJIBDIOYICN-MWLCHTKSSA-N 1 0 381.292 1.145 20 0 GDADRO O=C(NC[C@@H](O)COc1ccccc1Br)NC[C@@H]1CCCC[NH2+]1 ZINC000637015183 531594123 /nfs/dbraw/zinc/59/41/23/531594123.db2.gz MDGVGUYFMHFVFU-QWHCGFSZSA-N 1 0 386.290 1.630 20 0 GDADRO O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614507589 531597243 /nfs/dbraw/zinc/59/72/43/531597243.db2.gz QAQCXPUJIYMSHA-OAHLLOKOSA-N 1 0 391.313 1.979 20 0 GDADRO CNS(=O)(=O)CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637073555 531597246 /nfs/dbraw/zinc/59/72/46/531597246.db2.gz DFVAFFJAVZDENV-CYBMUJFWSA-N 1 0 397.328 1.445 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637076133 531598532 /nfs/dbraw/zinc/59/85/32/531598532.db2.gz FNBGDLTYGIZHHO-DGCLKSJQSA-N 1 0 386.290 1.885 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)CCOCC2CCCC2)CC1 ZINC000416409242 531604746 /nfs/dbraw/zinc/60/47/46/531604746.db2.gz UNGNNPJTRQPTRM-KRWDZBQOSA-N 1 0 375.579 1.386 20 0 GDADRO Cn1ncc(Br)c1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000295630828 531605512 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O=c1cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)nc2ccc(Br)cn12 ZINC000560183572 531629550 /nfs/dbraw/zinc/62/95/50/531629550.db2.gz MLSZILDPQRXYQI-GUYCJALGSA-N 1 0 391.269 1.604 20 0 GDADRO COCCOC[C@H](O)CN(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000295875510 531633351 /nfs/dbraw/zinc/63/33/51/531633351.db2.gz CYZIYIAOGKXRPM-MRXNPFEDSA-N 1 0 399.289 1.486 20 0 GDADRO C[C@@H](NC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1)C(C)(C)C[NH+](C)C ZINC000660870472 531634481 /nfs/dbraw/zinc/63/44/81/531634481.db2.gz DUTGZHQAZJFDDE-LLVKDONJSA-N 1 0 388.559 1.440 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NCCNC(=O)c2ccc(Br)cn2)CC[N@@H+]1C ZINC000660858396 531634608 /nfs/dbraw/zinc/63/46/08/531634608.db2.gz JVIGDKBOJFWMNB-DGCLKSJQSA-N 1 0 398.305 1.356 20 0 GDADRO CCC[C@H]1CN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[N@@H+]1CCOC ZINC000638162416 531643932 /nfs/dbraw/zinc/64/39/32/531643932.db2.gz HLORQZDHQAHWSN-HNNXBMFYSA-N 1 0 389.949 1.920 20 0 GDADRO C[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)CC(C)(C)CN1CCOCC1 ZINC000638129839 531644278 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CC[N@@H+]1C[C@H](C)N(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[C@@H]1C ZINC000498566868 531637201 /nfs/dbraw/zinc/63/72/01/531637201.db2.gz JXCHBHQYIUIHPQ-QWRGUYRKSA-N 1 0 379.935 1.621 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000661058511 531640799 /nfs/dbraw/zinc/64/07/99/531640799.db2.gz OBMYSQGGMGLENA-CYBMUJFWSA-N 1 0 387.527 1.204 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c[nH]c2ncc(Br)cc12 ZINC000281690848 531649066 /nfs/dbraw/zinc/64/90/66/531649066.db2.gz VCYQRRALUMHEBC-LBPRGKRZSA-N 1 0 381.274 1.902 20 0 GDADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638228241 531649776 /nfs/dbraw/zinc/64/97/76/531649776.db2.gz FJYCXBCLRONPEO-LGRHPFTQSA-N 1 0 390.325 1.841 20 0 GDADRO CN(CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000617021284 531650812 /nfs/dbraw/zinc/65/08/12/531650812.db2.gz UXIZCDXYIFHNDJ-CQSZACIVSA-N 1 0 387.933 1.950 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)COc3ccc(Br)cn3)C2)C1 ZINC000638386117 531651308 /nfs/dbraw/zinc/65/13/08/531651308.db2.gz YIAKTEXIQHIPRN-CFVMTHIKSA-N 1 0 398.301 1.968 20 0 GDADRO Cn1nnnc1SCCC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000560508654 531652425 /nfs/dbraw/zinc/65/24/25/531652425.db2.gz PQVULQDIBNMQEH-CYBMUJFWSA-N 1 0 382.921 1.807 20 0 GDADRO C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1cc(F)c(Br)cc1F ZINC000638495835 531655588 /nfs/dbraw/zinc/65/55/88/531655588.db2.gz SDOFGCZNCTXNFI-AMIZOPFISA-N 1 0 390.228 1.773 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638512623 531658137 /nfs/dbraw/zinc/65/81/37/531658137.db2.gz WWPWJJRGQNSZRM-ZDUSSCGKSA-N 1 0 392.308 1.673 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)c1scc(Br)c1Br ZINC000638612281 531660308 /nfs/dbraw/zinc/66/03/08/531660308.db2.gz OFHMELBHLIQQOZ-LURJTMIESA-N 1 0 384.093 1.991 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638612868 531660438 /nfs/dbraw/zinc/66/04/38/531660438.db2.gz SMPKSGMPPDXOSI-GJZGRUSLSA-N 1 0 396.285 1.045 20 0 GDADRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000365555877 531660960 /nfs/dbraw/zinc/66/09/60/531660960.db2.gz NYWJDQXJCLZEAV-KFWWJZLASA-N 1 0 383.539 1.932 20 0 GDADRO Cn1cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc(Br)c1=O ZINC000269392116 531661189 /nfs/dbraw/zinc/66/11/89/531661189.db2.gz LKIRLIJWTUWESA-CQSZACIVSA-N 1 0 389.319 1.707 20 0 GDADRO [NH3+]CCCOCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000638658651 531665303 /nfs/dbraw/zinc/66/53/03/531665303.db2.gz ZDUXNSNKGUVQPK-GFCCVEGCSA-N 1 0 384.274 1.284 20 0 GDADRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000638746550 531666386 /nfs/dbraw/zinc/66/63/86/531666386.db2.gz HMFBYUOKEMHRGF-NSHDSACASA-N 1 0 390.303 1.197 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1[NH+](C)C ZINC000365626002 531667689 /nfs/dbraw/zinc/66/76/89/531667689.db2.gz PARSDWYUTUAPFA-MJBXVCDLSA-N 1 0 375.510 1.695 20 0 GDADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638911528 531675077 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CO[C@@H](C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C1CCOCC1 ZINC000639142053 531682079 /nfs/dbraw/zinc/68/20/79/531682079.db2.gz IWRFFYQVAYUIEQ-HNNXBMFYSA-N 1 0 394.896 1.789 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCc1cc(Br)cs1 ZINC000618305734 531682561 /nfs/dbraw/zinc/68/25/61/531682561.db2.gz FPFTWVQGUWKTIU-UHFFFAOYSA-N 1 0 390.347 1.922 20 0 GDADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@@H](C)C[NH2+]1 ZINC000561198528 531684900 /nfs/dbraw/zinc/68/49/00/531684900.db2.gz SACRBXHDMYCILX-RDBSUJKOSA-N 1 0 386.543 1.151 20 0 GDADRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000639194096 531686103 /nfs/dbraw/zinc/68/61/03/531686103.db2.gz VBXNITSNROHRAE-CQSZACIVSA-N 1 0 391.331 1.983 20 0 GDADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000639223714 531688224 /nfs/dbraw/zinc/68/82/24/531688224.db2.gz VYTBNDBUPGICAH-KCPJHIHWSA-N 1 0 381.274 1.854 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC[C@H]1[NH3+] ZINC000662563827 531688748 /nfs/dbraw/zinc/68/87/48/531688748.db2.gz WUYCCYYIYQWVNR-ZWNOBZJWSA-N 1 0 379.262 1.624 20 0 GDADRO O=C1NC(=O)C2(CC[NH+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)CC2)N1 ZINC000639549492 531694003 /nfs/dbraw/zinc/69/40/03/531694003.db2.gz RUUHIUIHVDOFNB-GFCCVEGCSA-N 1 0 388.251 1.407 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000561327852 531694040 /nfs/dbraw/zinc/69/40/40/531694040.db2.gz TXWXIDQOHFMAID-CQSZACIVSA-N 1 0 385.917 1.688 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000662721756 531694889 /nfs/dbraw/zinc/69/48/89/531694889.db2.gz CTBRGMYFMSMRIB-VMBJYNEYSA-N 1 0 378.270 1.670 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000269602318 531696319 /nfs/dbraw/zinc/69/63/19/531696319.db2.gz LGSLOAAZCJJNHZ-DZGCQCFKSA-N 1 0 380.432 1.609 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000662926314 531699180 /nfs/dbraw/zinc/69/91/80/531699180.db2.gz YWXZXYGQWDASMY-OAHLLOKOSA-N 1 0 387.571 1.955 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000662925552 531700170 /nfs/dbraw/zinc/70/01/70/531700170.db2.gz CFDJTUSBKZQZCG-GFCCVEGCSA-N 1 0 381.420 1.473 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000662732190 531693684 /nfs/dbraw/zinc/69/36/84/531693684.db2.gz NUTMGSKLRCSBEH-SECBINFHSA-N 1 0 398.348 1.279 20 0 GDADRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000619534646 531710128 /nfs/dbraw/zinc/71/01/28/531710128.db2.gz UNLCSEYZPQALON-ONGXEEELSA-N 1 0 397.360 1.861 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000662946556 531701647 /nfs/dbraw/zinc/70/16/47/531701647.db2.gz WTYOFJUBVABDQE-CHHLVHLRSA-N 1 0 393.285 1.457 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000662940021 531702107 /nfs/dbraw/zinc/70/21/07/531702107.db2.gz FBFJULQFJXJHTJ-UHFFFAOYSA-N 1 0 376.682 1.868 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2Cc3ccc(C)c(Br)c3C2)C1 ZINC000662989945 531705985 /nfs/dbraw/zinc/70/59/85/531705985.db2.gz AUZOAAATZWXQKL-GFCCVEGCSA-N 1 0 380.286 1.668 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000296572723 531706977 /nfs/dbraw/zinc/70/69/77/531706977.db2.gz TTZWJAPGWJNSFH-OCCSQVGLSA-N 1 0 377.532 1.427 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000591452101 531723896 /nfs/dbraw/zinc/72/38/96/531723896.db2.gz SEEZUUCGMKJAGD-LBPRGKRZSA-N 1 0 391.946 1.576 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000282229957 531724682 /nfs/dbraw/zinc/72/46/82/531724682.db2.gz RABWFLSFRGTCJD-WDEREUQCSA-N 1 0 382.877 1.377 20 0 GDADRO C[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(I)cc1 ZINC000296656964 531713017 /nfs/dbraw/zinc/71/30/17/531713017.db2.gz ZLDQGOYJFKOPAK-GXFFZTMASA-N 1 0 395.262 1.491 20 0 GDADRO CO[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2F)[C@](C)(CO)C1 ZINC000640003068 531714344 /nfs/dbraw/zinc/71/43/44/531714344.db2.gz MYQMPMPEJLQBFV-NHYWBVRUSA-N 1 0 375.238 1.998 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c(Br)c1 ZINC000451927313 531715752 /nfs/dbraw/zinc/71/57/52/531715752.db2.gz JIOLVVARXFDOLU-VIFPVBQESA-N 1 0 379.276 1.464 20 0 GDADRO Cn1cc(Br)c(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000640309035 531735626 /nfs/dbraw/zinc/73/56/26/531735626.db2.gz VZZOYFGDXMEQOU-ZDUSSCGKSA-N 1 0 380.290 2.477 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1Cl ZINC000366321105 531738420 /nfs/dbraw/zinc/73/84/20/531738420.db2.gz VZEBEMHQSAKTHH-NXEZZACHSA-N 1 0 378.903 1.869 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000366349632 531739786 /nfs/dbraw/zinc/73/97/86/531739786.db2.gz ZWWWBRNDEIVNSA-OAHLLOKOSA-N 1 0 385.917 1.561 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)NCC(F)(F)c2ccc(Br)cc2)C[C@@H]1O ZINC000621552789 531749830 /nfs/dbraw/zinc/74/98/30/531749830.db2.gz DANQOVGADQNFMQ-STQMWFEESA-N 1 0 392.244 1.857 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000416954381 531749818 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C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000416940603 531747559 /nfs/dbraw/zinc/74/75/59/531747559.db2.gz AQLHDSCQIWWRQW-STQMWFEESA-N 1 0 388.921 1.306 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000621477445 531748172 /nfs/dbraw/zinc/74/81/72/531748172.db2.gz XWRWCHPBTKBBMV-UHFFFAOYSA-N 1 0 398.257 1.024 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc3c(c2)nnn3C)C[C@H]1[NH+]1CCCC1 ZINC000592045471 531752123 /nfs/dbraw/zinc/75/21/23/531752123.db2.gz RGIYQUVXUGGDLZ-CVEARBPZSA-N 1 0 381.527 1.169 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417175460 531754958 /nfs/dbraw/zinc/75/49/58/531754958.db2.gz IWXZUQKEYQFHOA-CQSZACIVSA-N 1 0 399.308 1.820 20 0 GDADRO NC(=O)c1cc(Cl)nnc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000366545093 531758447 /nfs/dbraw/zinc/75/84/47/531758447.db2.gz USXFHSFMMHRKHR-UHFFFAOYSA-N 1 0 377.798 2.446 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cn4cc(Br)ccc4n3)C[C@H]12 ZINC000417208257 531758617 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CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621848326 531761578 /nfs/dbraw/zinc/76/15/78/531761578.db2.gz VWKJSIWILRPYQT-SNVBAGLBSA-N 1 0 392.244 1.771 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000417264453 531762202 /nfs/dbraw/zinc/76/22/02/531762202.db2.gz SJBMBVVMHHVSAP-BBRMVZONSA-N 1 0 397.317 1.645 20 0 GDADRO O=C(Cn1cc(CCN2CC[NH2+]CC2)nn1)Nc1ccc(Cl)c(Cl)c1 ZINC000640759731 531762327 /nfs/dbraw/zinc/76/23/27/531762327.db2.gz JULHNTZMWKAHCH-UHFFFAOYSA-N 1 0 383.283 1.671 20 0 GDADRO C[NH+]1CCN(Cc2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)CC1 ZINC000640764236 531762503 /nfs/dbraw/zinc/76/25/03/531762503.db2.gz PRFIMJKLUVVFCM-UHFFFAOYSA-N 1 0 383.283 1.971 20 0 GDADRO O=C(NCc1cn2cc(Br)ccc2n1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417229668 531762944 /nfs/dbraw/zinc/76/29/44/531762944.db2.gz XZMPZCAEGQYQIB-NWDGAFQWSA-N 1 0 378.274 1.848 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417234489 531763238 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GDADRO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562803196 531781512 /nfs/dbraw/zinc/78/15/12/531781512.db2.gz MYFMABNCGVJJTB-QGZVFWFLSA-N 1 0 385.917 1.899 20 0 GDADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000562809010 531781706 /nfs/dbraw/zinc/78/17/06/531781706.db2.gz OLDSSAMVPJYMFT-FZMZJTMJSA-N 1 0 387.297 1.804 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000592367147 531782306 /nfs/dbraw/zinc/78/23/06/531782306.db2.gz JFJITICKYKAADU-NSHDSACASA-N 1 0 380.388 1.912 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1Cl ZINC000562825555 531782514 /nfs/dbraw/zinc/78/25/14/531782514.db2.gz IPGARRIVGZVIGI-CJNGLKHVSA-N 1 0 388.917 1.645 20 0 GDADRO Cn1cc(CCC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)cn1 ZINC000562639510 531767931 /nfs/dbraw/zinc/76/79/31/531767931.db2.gz DBYYGFSCZYCGOP-UHFFFAOYSA-N 1 0 394.273 1.986 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417402288 531768214 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GDADRO C[C@@H]1CN(C(=O)NCCNC(=O)c2cccc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000417444581 531773076 /nfs/dbraw/zinc/77/30/76/531773076.db2.gz YQDKENIFLVCIQY-NEPJUHHUSA-N 1 0 383.290 1.571 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000667266233 531773307 /nfs/dbraw/zinc/77/33/07/531773307.db2.gz QPMNBLFYIVPWHF-VIFPVBQESA-N 1 0 376.201 1.924 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)C1 ZINC000667248327 531773936 /nfs/dbraw/zinc/77/39/36/531773936.db2.gz WIROPXBDVWHYED-LLVKDONJSA-N 1 0 386.543 1.856 20 0 GDADRO O=C(NCCCNC(=O)c1ccc(Br)cc1)NC[C@H]1CCC[NH2+]1 ZINC000417461620 531774000 /nfs/dbraw/zinc/77/40/00/531774000.db2.gz LREYEXYBDSUEKY-CQSZACIVSA-N 1 0 383.290 1.620 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000667297796 531775289 /nfs/dbraw/zinc/77/52/89/531775289.db2.gz CVFVPTCQUMCYDQ-UHFFFAOYSA-N 1 0 390.665 1.918 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000667278486 531775931 /nfs/dbraw/zinc/77/59/31/531775931.db2.gz YOKCRPNENYUVOL-MRVPVSSYSA-N 1 0 390.665 1.857 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000641041261 531776004 /nfs/dbraw/zinc/77/60/04/531776004.db2.gz ASXMTBIZSIQFSN-HUUCEWRRSA-N 1 0 395.301 1.774 20 0 GDADRO [NH3+][C@H](CNC(=O)NCCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000417487470 531775962 /nfs/dbraw/zinc/77/59/62/531775962.db2.gz NUHLWXMRNSDWAZ-CQSZACIVSA-N 1 0 383.290 1.606 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417475182 531776644 /nfs/dbraw/zinc/77/66/44/531776644.db2.gz BBMRYVLYGVLLDC-GXTWGEPZSA-N 1 0 397.317 1.948 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417475675 531776653 /nfs/dbraw/zinc/77/66/53/531776653.db2.gz BBMRYVLYGVLLDC-OCCSQVGLSA-N 1 0 397.317 1.948 20 0 GDADRO CN1CCN(C(=O)c2ccc(I)cc2Cl)[C@@H](C[NH3+])C1 ZINC000592308216 531777363 /nfs/dbraw/zinc/77/73/63/531777363.db2.gz BNUGHXTWRQOOCU-JTQLQIEISA-N 1 0 393.656 1.660 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000562825297 531783236 /nfs/dbraw/zinc/78/32/36/531783236.db2.gz JEGRPBJHAJMTIM-LBPRGKRZSA-N 1 0 382.302 1.612 20 0 GDADRO CSc1ccc([C@@H](CNc2nc(C)c(S(N)(=O)=O)s2)[NH+](C)C)cc1 ZINC000562759331 531778499 /nfs/dbraw/zinc/77/84/99/531778499.db2.gz FVVPOEJKWNWTKE-CYBMUJFWSA-N 1 0 386.568 2.536 20 0 GDADRO [NH3+][C@@H](CO)Cc1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641120604 531779353 /nfs/dbraw/zinc/77/93/53/531779353.db2.gz HSIINGDGEYKQLE-LLVKDONJSA-N 1 0 383.246 1.112 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000418087763 531801439 /nfs/dbraw/zinc/80/14/39/531801439.db2.gz ICMDUHBXYMZFJI-LLVKDONJSA-N 1 0 379.404 1.742 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418086806 531801502 /nfs/dbraw/zinc/80/15/02/531801502.db2.gz DZDRGNJLNBORSG-KYOSRNDESA-N 1 0 395.301 1.981 20 0 GDADRO [NH3+]CCN(CCO)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081639 531801778 /nfs/dbraw/zinc/80/17/78/531801778.db2.gz OEGNLPUVARKBHB-LBPRGKRZSA-N 1 0 375.256 1.061 20 0 GDADRO CN(CCC[NH3+])Cc1cn(C[C@@H](O)COc2cccc(Br)c2)nn1 ZINC000641195969 531784457 /nfs/dbraw/zinc/78/44/57/531784457.db2.gz LXANZDNEFGSYGJ-OAHLLOKOSA-N 1 0 398.305 1.261 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000641219750 531785980 /nfs/dbraw/zinc/78/59/80/531785980.db2.gz KCFHCNUCQHVDIX-DZGCQCFKSA-N 1 0 389.283 1.931 20 0 GDADRO [NH3+][C@H](c1cn(C[C@H](O)Cn2cccn2)nn1)c1ccc(Br)cc1 ZINC000641213505 531786072 /nfs/dbraw/zinc/78/60/72/531786072.db2.gz IIEZSZZMIIPSSM-HIFRSBDPSA-N 1 0 377.246 1.346 20 0 GDADRO C[C@H]1CN(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC[NH2+]1 ZINC000417835806 531786112 /nfs/dbraw/zinc/78/61/12/531786112.db2.gz OBZPPNFLIMTATD-QMMMGPOBSA-N 1 0 376.770 1.905 20 0 GDADRO Cc1cccc(I)c1C(=O)NCCCN1CC[NH2+]CC1 ZINC000592441577 531786445 /nfs/dbraw/zinc/78/64/45/531786445.db2.gz HMZCZVMRFFARPP-UHFFFAOYSA-N 1 0 387.265 1.625 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000282701452 531786646 /nfs/dbraw/zinc/78/66/46/531786646.db2.gz SIJNOPYJQNORDT-CYBMUJFWSA-N 1 0 377.894 1.074 20 0 GDADRO C[C@@H]1CN(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C[C@H]1[NH3+] ZINC000417831772 531787579 /nfs/dbraw/zinc/78/75/79/531787579.db2.gz KWBBIDPRIRPBIQ-GMSGAONNSA-N 1 0 376.770 1.890 20 0 GDADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282707666 531788449 /nfs/dbraw/zinc/78/84/49/531788449.db2.gz YIJDUWSGYVPJHZ-UHFFFAOYSA-N 1 0 387.933 1.847 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCC(C)(C)c1ccccc1Br ZINC000417907467 531789442 /nfs/dbraw/zinc/78/94/42/531789442.db2.gz FEIZTKLFCPMDNZ-ZDUSSCGKSA-N 1 0 383.334 1.930 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N[C@@H](C[NH3+])CC(C)C)c(C)s1 ZINC000417916905 531791149 /nfs/dbraw/zinc/79/11/49/531791149.db2.gz WITAMUFRRIFVNI-CYBMUJFWSA-N 1 0 376.548 1.316 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H](C[NH3+])C2CCCCC2)s1 ZINC000417915744 531791271 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1.407 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000283009027 531818823 /nfs/dbraw/zinc/81/88/23/531818823.db2.gz ONLBUJBLGHRASL-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO CCN(C(=O)C(=O)NCc1ccc(OC)c(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000668770968 531806152 /nfs/dbraw/zinc/80/61/52/531806152.db2.gz RFMXDXYLIALLGA-ZDUSSCGKSA-N 1 0 398.301 1.627 20 0 GDADRO CC(C)(C[NH3+])NC(=O)NCCOc1ccc(I)cc1 ZINC000418154233 531806424 /nfs/dbraw/zinc/80/64/24/531806424.db2.gz JLILCMRBEDZSBM-UHFFFAOYSA-N 1 0 377.226 1.707 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)NCCOc2ccc(I)cc2)C1 ZINC000418153104 531806500 /nfs/dbraw/zinc/80/65/00/531806500.db2.gz IHLJJINYSJWRAV-LBPRGKRZSA-N 1 0 389.237 1.673 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418156626 531806684 /nfs/dbraw/zinc/80/66/84/531806684.db2.gz NETVVILHGUTLGS-ZYHUDNBSSA-N 1 0 392.884 1.184 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)NCCOc1ccc(I)cc1 ZINC000418153700 531806893 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Cn1cc(C[C@H](CO)C[NH2+]CCC(=O)Nc2cccc(Br)c2)cn1 ZINC000516468588 531817998 /nfs/dbraw/zinc/81/79/98/531817998.db2.gz ZGCWGUJQYLDOHJ-AWEZNQCLSA-N 1 0 395.301 1.952 20 0 GDADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000563257377 531822399 /nfs/dbraw/zinc/82/23/99/531822399.db2.gz KSIRROUGKLMLJA-GXTWGEPZSA-N 1 0 375.922 1.381 20 0 GDADRO CCN1CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000367216191 531822449 /nfs/dbraw/zinc/82/24/49/531822449.db2.gz BFFSETSNXFOOJW-GDBMZVCRSA-N 1 0 379.448 1.720 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000418422203 531825121 /nfs/dbraw/zinc/82/51/21/531825121.db2.gz COTRDQZARNCPFQ-SNVBAGLBSA-N 1 0 380.440 1.762 20 0 GDADRO CC1([NH+]2CCOCC2)CCN(C(=O)NCCCCCS(C)(=O)=O)CC1 ZINC000623906054 531825829 /nfs/dbraw/zinc/82/58/29/531825829.db2.gz OVTNRGVTKIEQCK-UHFFFAOYSA-N 1 0 375.535 1.098 20 0 GDADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)ccc1=O ZINC000270056130 531825846 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C[C@@H](CN(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1nccs1 ZINC000418618282 531833199 /nfs/dbraw/zinc/83/31/99/531833199.db2.gz OGHXFVZKPNDIMC-NWDGAFQWSA-N 1 0 379.452 1.724 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000270167037 531834269 /nfs/dbraw/zinc/83/42/69/531834269.db2.gz BUZTZYHFWHMMSF-OAHLLOKOSA-N 1 0 386.539 1.443 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C1CC[NH+](C)CC1 ZINC000624270728 531834968 /nfs/dbraw/zinc/83/49/68/531834968.db2.gz FEWJIVALSRPUNY-HIFRSBDPSA-N 1 0 385.555 1.748 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]CCN2CC[C@@H](O)C2)c2cc(Br)ccc21 ZINC000624230299 531835400 /nfs/dbraw/zinc/83/54/00/531835400.db2.gz UDYMGKHJNJGJPE-OCCSQVGLSA-N 1 0 389.315 1.324 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418730786 531835584 /nfs/dbraw/zinc/83/55/84/531835584.db2.gz SHZMVWFZOIPHFU-MNOVXSKESA-N 1 0 381.278 1.907 20 0 GDADRO CCN(CC[NH3+])S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000624382130 531838736 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O=C(N[C@@H]1C[C@H]1c1ccccc1Br)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418830431 531849130 /nfs/dbraw/zinc/84/91/30/531849130.db2.gz OMKOPRLZYPWNSY-TWJWRFFLSA-N 1 0 392.297 1.489 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418831158 531849511 /nfs/dbraw/zinc/84/95/11/531849511.db2.gz KKXMJRIKSMIRHZ-QLFBSQMISA-N 1 0 380.286 1.680 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418831318 531849535 /nfs/dbraw/zinc/84/95/35/531849535.db2.gz YPCYVYBBXIGBRF-RYUDHWBXSA-N 1 0 384.249 1.272 20 0 GDADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000641697929 531850637 /nfs/dbraw/zinc/85/06/37/531850637.db2.gz OHWQSPABFWEMAJ-UHFFFAOYSA-N 1 0 388.555 1.977 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418843845 531852113 /nfs/dbraw/zinc/85/21/13/531852113.db2.gz IUQOZIDVUOZGPR-IINYFYTJSA-N 1 0 386.265 1.504 20 0 GDADRO COC[C@H](C)OC[C@@H](O)C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000298107613 531853058 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20 0 GDADRO CN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C1CC[NH2+]CC1 ZINC000418798811 531841077 /nfs/dbraw/zinc/84/10/77/531841077.db2.gz AHDLRKNDLHCGBB-SWLSCSKDSA-N 1 0 398.276 1.771 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)C[C@H](C)[NH2+]1 ZINC000418812994 531844390 /nfs/dbraw/zinc/84/43/90/531844390.db2.gz SIDNMQXXPXQQLQ-UKKRHICBSA-N 1 0 386.315 1.692 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000624405768 531844582 /nfs/dbraw/zinc/84/45/82/531844582.db2.gz QGZQQYKPDUPITP-KBPBESRZSA-N 1 0 389.543 1.136 20 0 GDADRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000624408759 531845440 /nfs/dbraw/zinc/84/54/40/531845440.db2.gz DMVNBBSDNPZDRQ-UHFFFAOYSA-N 1 0 390.303 1.537 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCS1 ZINC000671149142 531846331 /nfs/dbraw/zinc/84/63/31/531846331.db2.gz GWTJVJCKHMWMGO-UHFFFAOYSA-N 1 0 385.599 1.818 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000418821751 531846737 /nfs/dbraw/zinc/84/67/37/531846737.db2.gz VUWSFHHFMTWGGQ-SLEUVZQESA-N 1 0 386.279 1.542 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C[C@H]1[NH3+] ZINC000418829038 531847321 /nfs/dbraw/zinc/84/73/21/531847321.db2.gz NALLVVHCVOWXSI-SDBHATRESA-N 1 0 398.276 1.756 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000367597004 531847612 /nfs/dbraw/zinc/84/76/12/531847612.db2.gz LCDLWVCYASOGIW-UBHSHLNASA-N 1 0 387.527 1.395 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000418932567 531865781 /nfs/dbraw/zinc/86/57/81/531865781.db2.gz HXEHFVDJOAAECS-GXFFZTMASA-N 1 0 384.274 1.295 20 0 GDADRO CS[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1[NH+](C)C ZINC000270415139 531866581 /nfs/dbraw/zinc/86/65/81/531866581.db2.gz BVFCGDVWYUHLQF-KGLIPLIRSA-N 1 0 392.493 1.729 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cc2ccc(Br)cn2n1 ZINC000455240477 531867121 /nfs/dbraw/zinc/86/71/21/531867121.db2.gz FDAAGKBZYPJMNJ-AWEZNQCLSA-N 1 0 396.289 2.065 20 0 GDADRO O=C(NCc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418941255 531867909 /nfs/dbraw/zinc/86/79/09/531867909.db2.gz UYQLFVHNMJFVRX-UMVBOHGHSA-N 1 0 380.286 1.570 20 0 GDADRO C[NH+]1CCC(Oc2ccc(CNc3ncc(S(N)(=O)=O)s3)cc2)CC1 ZINC000367814428 531868158 /nfs/dbraw/zinc/86/81/58/531868158.db2.gz MYQDLSADHXXQRB-UHFFFAOYSA-N 1 0 382.511 1.876 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418853333 531855751 /nfs/dbraw/zinc/85/57/51/531855751.db2.gz JIIRLKBAIDHXIL-JSGCOSHPSA-N 1 0 382.302 1.878 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2C)CC1 ZINC000418856058 531855987 /nfs/dbraw/zinc/85/59/87/531855987.db2.gz NXVOBRAOKWYYEG-UHFFFAOYSA-N 1 0 382.302 1.832 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000418857375 531856501 /nfs/dbraw/zinc/85/65/01/531856501.db2.gz YZNJYQXINCZIHP-SNVBAGLBSA-N 1 0 391.274 1.331 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000418942699 531869043 /nfs/dbraw/zinc/86/90/43/531869043.db2.gz LPMYYKQFAATMFK-RYUDHWBXSA-N 1 0 388.295 1.617 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000418863110 531857927 /nfs/dbraw/zinc/85/79/27/531857927.db2.gz ILRLXMUWXDLOTH-CHWSQXEVSA-N 1 0 395.301 1.012 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000454705664 531858837 /nfs/dbraw/zinc/85/88/37/531858837.db2.gz CBSBGRZEWKBFFU-UONOGXRCSA-N 1 0 385.306 1.783 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(Br)n1C ZINC000367742440 531858966 /nfs/dbraw/zinc/85/89/66/531858966.db2.gz UYAFEUFYDDPFAA-GFCCVEGCSA-N 1 0 391.335 1.740 20 0 GDADRO CC1(c2cccc(Br)c2)CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000563644377 531858993 /nfs/dbraw/zinc/85/89/93/531858993.db2.gz BZVGTBAYLXQHHF-UHFFFAOYSA-N 1 0 380.286 1.417 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000418870128 531859084 /nfs/dbraw/zinc/85/90/84/531859084.db2.gz RKPGEIUMUYRARU-SRVKXCTJSA-N 1 0 383.290 1.607 20 0 GDADRO C[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[NH+](C)C ZINC000454828206 531860393 /nfs/dbraw/zinc/86/03/93/531860393.db2.gz CPJDQZSBAXVNRG-JTQLQIEISA-N 1 0 382.408 1.599 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418891245 531862014 /nfs/dbraw/zinc/86/20/14/531862014.db2.gz XGRPHRYGLDGNAV-UFBFGSQYSA-N 1 0 388.237 1.110 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000298188024 531863273 /nfs/dbraw/zinc/86/32/73/531863273.db2.gz JKBLFEBRNSCYMV-LBPRGKRZSA-N 1 0 385.917 1.750 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642712840 531863449 /nfs/dbraw/zinc/86/34/49/531863449.db2.gz TUCVBYHGEVYOCT-IUODEOHRSA-N 1 0 398.301 1.257 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642724327 531863504 /nfs/dbraw/zinc/86/35/04/531863504.db2.gz BIKFUDHOKYSHFV-SMDDNHRTSA-N 1 0 396.285 1.284 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418921732 531863901 /nfs/dbraw/zinc/86/39/01/531863901.db2.gz JWXYEJQZUYIEPE-IINYFYTJSA-N 1 0 386.265 1.361 20 0 GDADRO COc1ccc(C(=O)NCCC[NH+]2CCCC2)nc1I ZINC000270451115 531870835 /nfs/dbraw/zinc/87/08/35/531870835.db2.gz CIGBYXUPJSLFRF-UHFFFAOYSA-N 1 0 389.237 1.911 20 0 GDADRO C[C@@H](CNC(=O)NCCCNC(=O)c1cccc(Br)c1)[NH+](C)C ZINC000455423588 531871213 /nfs/dbraw/zinc/87/12/13/531871213.db2.gz ANJOGJOYDPZPSC-LBPRGKRZSA-N 1 0 385.306 1.818 20 0 GDADRO CN(CC(=O)NC[C@H](c1ccsc1)[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000298280046 531871485 /nfs/dbraw/zinc/87/14/85/531871485.db2.gz FVMARLFVOPTIBF-MRXNPFEDSA-N 1 0 381.523 1.788 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)CCc1c(F)cccc1F ZINC000624982668 531871492 /nfs/dbraw/zinc/87/14/92/531871492.db2.gz OSNQMIMRECJUBB-UHFFFAOYSA-N 1 0 375.485 1.406 20 0 GDADRO CCOC(=O)c1c2c(sc1NC(=O)N[C@@H](C)C[NH2+]C)CS(=O)(=O)CC2 ZINC000595243000 531871805 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GDADRO Cc1cc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1Br ZINC000418998296 531876950 /nfs/dbraw/zinc/87/69/50/531876950.db2.gz VQNZWYBHYIKCMW-ZIAGYGMSSA-N 1 0 380.286 1.442 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1Br ZINC000418998294 531877494 /nfs/dbraw/zinc/87/74/94/531877494.db2.gz VQNZWYBHYIKCMW-UONOGXRCSA-N 1 0 380.286 1.442 20 0 GDADRO NS(=O)(=O)c1ccsc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000644045972 531877564 /nfs/dbraw/zinc/87/75/64/531877564.db2.gz BWYVWUMXJJRWON-AWEZNQCLSA-N 1 0 379.507 1.962 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)C[C@@H](C)O1 ZINC000298326506 531877788 /nfs/dbraw/zinc/87/77/88/531877788.db2.gz NNZGCDPAYAOSTC-VXGBXAGGSA-N 1 0 389.905 1.217 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000283591545 531878039 /nfs/dbraw/zinc/87/80/39/531878039.db2.gz VSHPLMKMIRBXIN-NSHDSACASA-N 1 0 383.290 1.622 20 0 GDADRO O=C(CC[NH2+]C[C@@H]1CS(=O)(=O)CCO1)Nc1ccc(Br)cc1 ZINC000566111998 531879705 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GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419021424 531881785 /nfs/dbraw/zinc/88/17/85/531881785.db2.gz MEUSRLRYILSGMI-NHYWBVRUSA-N 1 0 382.302 1.740 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419018955 531881820 /nfs/dbraw/zinc/88/18/20/531881820.db2.gz ILFWXMMNRUKJAK-WFASDCNBSA-N 1 0 382.302 1.755 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419018946 531881849 /nfs/dbraw/zinc/88/18/49/531881849.db2.gz ILFWXMMNRUKJAK-DOMZBBRYSA-N 1 0 382.302 1.755 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000367974892 531882023 /nfs/dbraw/zinc/88/20/23/531882023.db2.gz UVSWERIWNUECHS-UHFFFAOYSA-N 1 0 383.543 1.463 20 0 GDADRO CO[C@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1)C1CCOCC1 ZINC000645753338 531883337 /nfs/dbraw/zinc/88/33/37/531883337.db2.gz BGYKXQGJHIFJCR-QGZVFWFLSA-N 1 0 390.571 1.883 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418943315 531869364 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394.313 1.708 20 0 GDADRO C[C@H]([NH3+])CNS(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000647273441 531893556 /nfs/dbraw/zinc/89/35/56/531893556.db2.gz PXMGWTXDTQOWBL-YFKPBYRVSA-N 1 0 390.072 1.976 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(I)cn1 ZINC000456043286 531893930 /nfs/dbraw/zinc/89/39/30/531893930.db2.gz ZFZSYWJHJCUTKL-GFCCVEGCSA-N 1 0 389.237 1.263 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419055632 531893951 /nfs/dbraw/zinc/89/39/51/531893951.db2.gz OPSKHXHGPWIVRF-YMTOWFKASA-N 1 0 386.265 1.489 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1sc2c(c1Br)CNC2 ZINC000595948911 531894859 /nfs/dbraw/zinc/89/48/59/531894859.db2.gz CKVDVBBGNFOYFB-VIFPVBQESA-N 1 0 388.287 1.091 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419057691 531895079 /nfs/dbraw/zinc/89/50/79/531895079.db2.gz VBLFPOJCMVMYOI-TZMCWYRMSA-N 1 0 382.302 1.612 20 0 GDADRO CC1(NC(=O)c2sc3c(c2I)CNC3)CC[NH2+]CC1 ZINC000595950332 531895937 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O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000567599337 531898915 /nfs/dbraw/zinc/89/89/15/531898915.db2.gz VENAVEAVPCYYTC-GOEBONIOSA-N 1 0 384.523 1.169 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000567612623 531898940 /nfs/dbraw/zinc/89/89/40/531898940.db2.gz YAHMXRZOVVGLHW-OLZOCXBDSA-N 1 0 377.532 1.121 20 0 GDADRO CC1(C)OCC(CO)([NH2+]CCC(=O)Nc2ccc(Br)cc2)CO1 ZINC000298530005 531899157 /nfs/dbraw/zinc/89/91/57/531899157.db2.gz MDESZJNCINSIJA-UHFFFAOYSA-N 1 0 387.274 1.881 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000419038728 531886140 /nfs/dbraw/zinc/88/61/40/531886140.db2.gz KFQFGBWJJABQQT-CQSZACIVSA-N 1 0 396.285 1.599 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CC[NH2+]1 ZINC000419039165 531886338 /nfs/dbraw/zinc/88/63/38/531886338.db2.gz KSWLTOZOINVWJS-ZDUSSCGKSA-N 1 0 396.285 1.599 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000419038730 531886421 /nfs/dbraw/zinc/88/64/21/531886421.db2.gz KFQWEVALMAHBBF-UHFFFAOYSA-N 1 0 380.901 1.976 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1Cl ZINC000298420320 531886676 /nfs/dbraw/zinc/88/66/76/531886676.db2.gz BCDLLFCDEZAOHH-LBPRGKRZSA-N 1 0 385.917 1.804 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@](C)(O)CSC)CC2)cc1 ZINC000368033537 531886675 /nfs/dbraw/zinc/88/66/75/531886675.db2.gz ANSZPYYSQWYXLS-KRWDZBQOSA-N 1 0 388.555 1.552 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000419040874 531886993 /nfs/dbraw/zinc/88/69/93/531886993.db2.gz JIPUHVSYIKSTJC-BBBLOLIVSA-N 1 0 378.420 1.925 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419039720 531887011 /nfs/dbraw/zinc/88/70/11/531887011.db2.gz LOGNWJDUSDNODU-CXAGYDPISA-N 1 0 396.285 1.586 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419040728 531887345 /nfs/dbraw/zinc/88/73/45/531887345.db2.gz JCTJLZBXHURUIW-UWVGGRQHSA-N 1 0 375.803 1.753 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000419044689 531889986 /nfs/dbraw/zinc/88/99/86/531889986.db2.gz QPWXVGKJKFNFAT-BBBLOLIVSA-N 1 0 378.420 1.938 20 0 GDADRO COc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)nc1I ZINC000270539694 531890321 /nfs/dbraw/zinc/89/03/21/531890321.db2.gz WTGYWEHGHAUOIA-VIFPVBQESA-N 1 0 375.210 1.376 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419050183 531890845 /nfs/dbraw/zinc/89/08/45/531890845.db2.gz CYOZPAFJEPHQQA-CABZTGNLSA-N 1 0 388.693 1.833 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000419050960 531890998 /nfs/dbraw/zinc/89/09/98/531890998.db2.gz FEZUMPSOEWIKBQ-KBPBESRZSA-N 1 0 382.302 1.836 20 0 GDADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cccc(I)c1 ZINC000283871102 531905779 /nfs/dbraw/zinc/90/57/79/531905779.db2.gz ISQMDYOEVKWLSC-AWEZNQCLSA-N 1 0 387.265 1.721 20 0 GDADRO O=C(NCc1cc(F)ccc1Br)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419158408 531906041 /nfs/dbraw/zinc/90/60/41/531906041.db2.gz MYTQYPVAEVGXHB-PWSUYJOCSA-N 1 0 384.249 1.272 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CCC([N@H+](C)CCCO)CC2)c1Br ZINC000647984096 531906065 /nfs/dbraw/zinc/90/60/65/531906065.db2.gz JQOHIAOYQNVYSR-UHFFFAOYSA-N 1 0 388.310 1.802 20 0 GDADRO O=S(=O)(CCN1CC[NH2+]C[C@H]1C(F)F)c1ccc(Br)cc1 ZINC000647968372 531906172 /nfs/dbraw/zinc/90/61/72/531906172.db2.gz YRXMHXQHJGTZBU-LBPRGKRZSA-N 1 0 383.258 1.762 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000647961165 531906466 /nfs/dbraw/zinc/90/64/66/531906466.db2.gz RNYVCAQTLZCVSY-QWRGUYRKSA-N 1 0 377.869 1.314 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cc(F)ccc3Br)C[C@@H]21 ZINC000419163270 531907044 /nfs/dbraw/zinc/90/70/44/531907044.db2.gz VZYMUZPEMHAGAQ-RIEGTJTDSA-N 1 0 398.276 1.790 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cc(F)ccc1Br ZINC000419163502 531907218 /nfs/dbraw/zinc/90/72/18/531907218.db2.gz WSTJFXDYGOEFMX-HZMBPMFUSA-N 1 0 386.265 1.838 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cc(F)ccc1Br ZINC000419163505 531907436 /nfs/dbraw/zinc/90/74/36/531907436.db2.gz WSTJFXDYGOEFMX-YGRLFVJLSA-N 1 0 386.265 1.838 20 0 GDADRO O=S(=O)(CCN1CC[NH2+]C[C@@H]1C(F)F)c1ccc(Br)cc1 ZINC000647968371 531907615 /nfs/dbraw/zinc/90/76/15/531907615.db2.gz YRXMHXQHJGTZBU-GFCCVEGCSA-N 1 0 383.258 1.762 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)Cn1cccn1 ZINC000568486374 531908657 /nfs/dbraw/zinc/90/86/57/531908657.db2.gz PLPZGOMIYZRSOO-NSHDSACASA-N 1 0 387.303 1.719 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419172054 531908731 /nfs/dbraw/zinc/90/87/31/531908731.db2.gz YKKWPPCYDJZQFX-QWHCGFSZSA-N 1 0 382.302 1.878 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419170766 531909289 /nfs/dbraw/zinc/90/92/89/531909289.db2.gz WJUXGWDQFGAEJK-LBPRGKRZSA-N 1 0 388.295 1.742 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1Br ZINC000419188740 531909824 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CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)Cc1cc(Br)ccc1OC ZINC000420176601 532008461 /nfs/dbraw/zinc/00/84/61/532008461.db2.gz XAKANDSVUAJMCV-LLVKDONJSA-N 1 0 386.290 1.530 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420167432 532007205 /nfs/dbraw/zinc/00/72/05/532007205.db2.gz RPQONPWDXKYKQK-UHFFFAOYSA-N 1 0 386.315 1.895 20 0 GDADRO O=C(NCCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000574975082 532007545 /nfs/dbraw/zinc/00/75/45/532007545.db2.gz GKMCWWQDTYUGQJ-QGZVFWFLSA-N 1 0 395.301 1.574 20 0 GDADRO Brc1ccccc1-n1nnnc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888601 532008176 /nfs/dbraw/zinc/00/81/76/532008176.db2.gz XPJJESCDKNRJDX-TZMCWYRMSA-N 1 0 377.290 1.999 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420167363 532008374 /nfs/dbraw/zinc/00/83/74/532008374.db2.gz RDBYYNAAFBBOJI-UHFFFAOYSA-N 1 0 380.286 1.834 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000420204261 532009899 /nfs/dbraw/zinc/00/98/99/532009899.db2.gz ORCQHNUBRFPREZ-DGCLKSJQSA-N 1 0 380.286 1.577 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420199774 532009910 /nfs/dbraw/zinc/00/99/10/532009910.db2.gz MOONVSGZYYWYAK-OCCSQVGLSA-N 1 0 398.301 1.530 20 0 GDADRO COc1ccc2nc(CN3CCCN(S(=O)(=O)N(C)C)CC3)sc2c1 ZINC000575097894 532008634 /nfs/dbraw/zinc/00/86/34/532008634.db2.gz SGMISEXVGPCTOC-UHFFFAOYSA-N 1 0 384.527 1.619 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420199770 532008824 /nfs/dbraw/zinc/00/88/24/532008824.db2.gz MOONVSGZYYWYAK-JSGCOSHPSA-N 1 0 398.301 1.530 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)F)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000632161053 532013273 /nfs/dbraw/zinc/01/32/73/532013273.db2.gz QIOPMQFUIGRMHS-STQMWFEESA-N 1 0 377.457 1.864 20 0 GDADRO OCCO[C@@]1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCOC1 ZINC000657598315 532011833 /nfs/dbraw/zinc/01/18/33/532011833.db2.gz JJLRGJBVOBLVPO-MRXNPFEDSA-N 1 0 397.273 1.287 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cn1 ZINC000420444320 532012391 /nfs/dbraw/zinc/01/23/91/532012391.db2.gz CIRJKVRBBAJIQB-CYBMUJFWSA-N 1 0 384.889 1.955 20 0 GDADRO NC(=O)Cn1cc(C[NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)nn1 ZINC000459446296 532014523 /nfs/dbraw/zinc/01/45/23/532014523.db2.gz DYRUBUVPNFJEEH-UHFFFAOYSA-N 1 0 376.873 1.873 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1C(F)(F)F ZINC000420449172 532014646 /nfs/dbraw/zinc/01/46/46/532014646.db2.gz MUSKPWYMVMZJDW-UHFFFAOYSA-N 1 0 380.388 1.912 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000575920798 532016970 /nfs/dbraw/zinc/01/69/70/532016970.db2.gz PPZOLSQIOCBVKL-GFCCVEGCSA-N 1 0 381.230 1.494 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000420459408 532017654 /nfs/dbraw/zinc/01/76/54/532017654.db2.gz QZFDMNAVMDIYGO-VHSXEESVSA-N 1 0 393.303 1.872 20 0 GDADRO NC(=O)Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)nn1 ZINC000459508057 532018716 /nfs/dbraw/zinc/01/87/16/532018716.db2.gz ABYXYGFDZULYIP-GFCCVEGCSA-N 1 0 383.283 1.829 20 0 GDADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc(Br)o3)CC2)C1 ZINC000420466284 532018955 /nfs/dbraw/zinc/01/89/55/532018955.db2.gz ANAFFYQXPCZYIQ-NWDGAFQWSA-N 1 0 393.303 1.949 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c(OC)c1 ZINC000420455119 532018036 /nfs/dbraw/zinc/01/80/36/532018036.db2.gz XEZNIDIXVMJSJK-CQSZACIVSA-N 1 0 393.531 1.109 20 0 GDADRO CC[C@H](C)C[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271490566 532020283 /nfs/dbraw/zinc/02/02/83/532020283.db2.gz ZOJMDDSMQNJSAU-ZDUSSCGKSA-N 1 0 378.516 1.427 20 0 GDADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCOCCS(C)(=O)=O ZINC000271471342 532019422 /nfs/dbraw/zinc/01/94/22/532019422.db2.gz IYIKLOHPBJSSMF-AWEZNQCLSA-N 1 0 390.933 1.728 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N(CCO)Cc1ccc(Br)s1 ZINC000632273649 532019502 /nfs/dbraw/zinc/01/95/02/532019502.db2.gz VYLZYLKQYLPELN-UHFFFAOYSA-N 1 0 385.349 1.586 20 0 GDADRO C[NH2+]CCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000420468069 532020639 /nfs/dbraw/zinc/02/06/39/532020639.db2.gz FMZPJIZVCYNPRA-INIZCTEOSA-N 1 0 387.933 1.816 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000285032560 532021409 /nfs/dbraw/zinc/02/14/09/532021409.db2.gz UTXPPRSQFZTJOA-UHFFFAOYSA-N 1 0 384.274 1.284 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2cccc(I)c2)C[C@H]1C[NH3+] ZINC000420484976 532022134 /nfs/dbraw/zinc/02/21/34/532022134.db2.gz YSAPAGLHDSISBY-GHMZBOCLSA-N 1 0 394.278 1.897 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)nn2C)C[C@@H]1[NH+]1CCCC1 ZINC000599280248 532024706 /nfs/dbraw/zinc/02/47/06/532024706.db2.gz ZUKVSFUDAUJTAT-QWRGUYRKSA-N 1 0 398.476 1.639 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000285071300 532026976 /nfs/dbraw/zinc/02/69/76/532026976.db2.gz PHJMMXOSWOBMMQ-UHFFFAOYSA-N 1 0 384.889 1.260 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000372027031 532027605 /nfs/dbraw/zinc/02/76/05/532027605.db2.gz UPFLMDSIHHYPRM-UHFFFAOYSA-N 1 0 380.286 1.922 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000576703764 532026750 /nfs/dbraw/zinc/02/67/50/532026750.db2.gz QGAHDSAIFUXBKU-UHFFFAOYSA-N 1 0 377.304 1.727 20 0 GDADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)CCOC(C)(C)C)CC2)CC1 ZINC000632489410 532033167 /nfs/dbraw/zinc/03/31/67/532033167.db2.gz JNZQXBMSUKSLMQ-UHFFFAOYSA-N 1 0 375.579 1.623 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000459857547 532032203 /nfs/dbraw/zinc/03/22/03/532032203.db2.gz DYIDTGOMKUTGGK-UHFFFAOYSA-N 1 0 387.933 1.665 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)c1OC ZINC000577326455 532034133 /nfs/dbraw/zinc/03/41/33/532034133.db2.gz OYYYQLXQENADKY-LLVKDONJSA-N 1 0 391.921 1.715 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)c1ccc(Br)c2c1OCCC2 ZINC000577407894 532036862 /nfs/dbraw/zinc/03/68/62/532036862.db2.gz UISKGDSAVNQSKR-UHFFFAOYSA-N 1 0 383.286 1.961 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000460270349 532042416 /nfs/dbraw/zinc/04/24/16/532042416.db2.gz NIPZUYXGHTTWKR-QGZVFWFLSA-N 1 0 382.302 1.847 20 0 GDADRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000632869233 532043202 /nfs/dbraw/zinc/04/32/02/532043202.db2.gz ZWHPCBSUMRNFCV-SNVBAGLBSA-N 1 0 387.241 1.665 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(Br)n3)CC[C@@H]21 ZINC000285179098 532043778 /nfs/dbraw/zinc/04/37/78/532043778.db2.gz KSHCNFJWGPVOKA-RYUDHWBXSA-N 1 0 381.274 1.725 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cccc(Br)c1 ZINC000578573987 532051945 /nfs/dbraw/zinc/05/19/45/532051945.db2.gz VKWJOFCQSPBDRY-UHFFFAOYSA-N 1 0 378.336 1.611 20 0 GDADRO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@@](O)(C(N)=O)C3)C2=O)ccc1Br ZINC000285234200 532052524 /nfs/dbraw/zinc/05/25/24/532052524.db2.gz YGGIUFCAAUYHLJ-YOEHRIQHSA-N 1 0 396.285 1.175 20 0 GDADRO CC(C)(CN1CCOCC1)[NH2+]Cc1ncc(I)s1 ZINC000308641073 532053348 /nfs/dbraw/zinc/05/33/48/532053348.db2.gz YMRRASAWTAGSRR-UHFFFAOYSA-N 1 0 381.283 1.948 20 0 GDADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)CC1(O)CCOCC1 ZINC000634702423 532054457 /nfs/dbraw/zinc/05/44/57/532054457.db2.gz GTWZPONQCLXFPP-DOTOQJQBSA-N 1 0 399.329 1.910 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634709510 532056105 /nfs/dbraw/zinc/05/61/05/532056105.db2.gz KBTDVJDYTYYBML-FZMZJTMJSA-N 1 0 397.324 1.604 20 0 GDADRO OCC[C@@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccccc1Br ZINC000634720171 532056247 /nfs/dbraw/zinc/05/62/47/532056247.db2.gz GFMUEONVICTINF-CZUORRHYSA-N 1 0 388.302 1.755 20 0 GDADRO C[C@](O)(C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000634713091 532056404 /nfs/dbraw/zinc/05/64/04/532056404.db2.gz QEPUTAROIBMZLT-CJNGLKHVSA-N 1 0 394.896 1.259 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)C2(S(N)(=O)=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579131634 532058313 /nfs/dbraw/zinc/05/83/13/532058313.db2.gz BDPLHWLNHZQCFI-BXUZGUMPSA-N 1 0 389.880 1.409 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1nc(C)n(C)c1Br ZINC000314015876 532058796 /nfs/dbraw/zinc/05/87/96/532058796.db2.gz GWILSRHDASELIQ-LLVKDONJSA-N 1 0 379.324 1.596 20 0 GDADRO C[NH+](C)CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000635119416 532059357 /nfs/dbraw/zinc/05/93/57/532059357.db2.gz XAYHUSHLEXFFOF-UHFFFAOYSA-N 1 0 385.917 1.515 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)N1CC[NH2+]CC1 ZINC000315108543 532060055 /nfs/dbraw/zinc/06/00/55/532060055.db2.gz PPVFCEMMPDJJAL-UHFFFAOYSA-N 1 0 386.688 1.357 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[NH2+]CC2)c(Br)cc1F ZINC000373040039 532061301 /nfs/dbraw/zinc/06/13/01/532061301.db2.gz PGMGCECKMMTDJH-UHFFFAOYSA-N 1 0 395.250 1.359 20 0 GDADRO C[C@@H](CO)[N@@H+]1CCCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000373034115 532061349 /nfs/dbraw/zinc/06/13/49/532061349.db2.gz HXDMOBDKYSLFRL-WMLDXEAASA-N 1 0 396.329 1.943 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1Br ZINC000373056517 532061410 /nfs/dbraw/zinc/06/14/10/532061410.db2.gz LULDEIGXCXZERB-GXFFZTMASA-N 1 0 375.288 1.830 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1Br ZINC000373056519 532061451 /nfs/dbraw/zinc/06/14/51/532061451.db2.gz LULDEIGXCXZERB-ZWNOBZJWSA-N 1 0 375.288 1.830 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)O1 ZINC000579470361 532060823 /nfs/dbraw/zinc/06/08/23/532060823.db2.gz GRLGMFHPZCEGDK-ZQIUZPCESA-N 1 0 398.301 1.375 20 0 GDADRO COC(=O)C1(CS(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000601327202 532060783 /nfs/dbraw/zinc/06/07/83/532060783.db2.gz SJBVLQJSYXWQHA-UHFFFAOYSA-N 1 0 386.539 1.833 20 0 GDADRO COC(=O)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CCC[NH+](C)C ZINC000601341838 532061731 /nfs/dbraw/zinc/06/17/31/532061731.db2.gz KJCOOHAJBOCTTF-UHFFFAOYSA-N 1 0 378.441 1.611 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000373072418 532062212 /nfs/dbraw/zinc/06/22/12/532062212.db2.gz XFVVEYFOIXSWME-AAEUAGOBSA-N 1 0 396.285 1.821 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000373136256 532065118 /nfs/dbraw/zinc/06/51/18/532065118.db2.gz MGZJFVNKSQROEX-LBPRGKRZSA-N 1 0 381.274 1.788 20 0 GDADRO C[C@H](NC[C@H](O)COc1ccc(I)cc1)[C@@H]1CCC[NH2+]1 ZINC000422910080 532069316 /nfs/dbraw/zinc/06/93/16/532069316.db2.gz PPYSQQLHCRDVJG-WHOFXGATSA-N 1 0 390.265 1.761 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000422902256 532069611 /nfs/dbraw/zinc/06/96/11/532069611.db2.gz MMUIVXUCGLWPEZ-ITDIGPHOSA-N 1 0 377.268 1.616 20 0 GDADRO C[C@H](NC[C@@H](O)COc1ccc(I)cc1)[C@H]1CCC[NH2+]1 ZINC000422910077 532069685 /nfs/dbraw/zinc/06/96/85/532069685.db2.gz PPYSQQLHCRDVJG-NJZAAPMLSA-N 1 0 390.265 1.761 20 0 GDADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000373155577 532067712 /nfs/dbraw/zinc/06/77/12/532067712.db2.gz ZFJCNFDCYWGPFY-UHFFFAOYSA-N 1 0 381.274 1.869 20 0 GDADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CSc1nnnn1CC(F)(F)F ZINC000468479892 532068061 /nfs/dbraw/zinc/06/80/61/532068061.db2.gz RDGGTANLVYSDGI-SNVBAGLBSA-N 1 0 380.440 1.564 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000468490132 532068081 /nfs/dbraw/zinc/06/80/81/532068081.db2.gz XGISWOYYKLFHGB-ZIAGYGMSSA-N 1 0 379.592 1.284 20 0 GDADRO CS[C@@H]1CN(Cc2nnc3n2c2ccsc2c(=O)n3C)C[C@H]1[NH+](C)C ZINC000271981619 532068484 /nfs/dbraw/zinc/06/84/84/532068484.db2.gz DRZYAMLZAUJGFP-VXGBXAGGSA-N 1 0 378.527 1.120 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000423088103 532070681 /nfs/dbraw/zinc/07/06/81/532070681.db2.gz PMLMNVYGAYUJJN-AWEZNQCLSA-N 1 0 382.302 1.866 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C[C@H]1[NH3+] ZINC000423081530 532071295 /nfs/dbraw/zinc/07/12/95/532071295.db2.gz VEVMGJAEOHRRNK-IAQYHMDHSA-N 1 0 380.286 1.746 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)c2nn(C)cc2I)CC[N@@H+]1C ZINC000602268329 532073415 /nfs/dbraw/zinc/07/34/15/532073415.db2.gz OMOOFEARNGZVHE-NXEZZACHSA-N 1 0 376.242 1.579 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423457902 532075011 /nfs/dbraw/zinc/07/50/11/532075011.db2.gz PLVJAGSHQIQWIL-OAHLLOKOSA-N 1 0 398.301 1.292 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3[C@@H]2C)C1 ZINC000423465760 532075607 /nfs/dbraw/zinc/07/56/07/532075607.db2.gz COGFFMRNXXWCSY-NWDGAFQWSA-N 1 0 380.286 1.715 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423229021 532073966 /nfs/dbraw/zinc/07/39/66/532073966.db2.gz GJPYICFHDOSAHN-YPMHNXCESA-N 1 0 398.276 1.615 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000423637081 532077848 /nfs/dbraw/zinc/07/78/48/532077848.db2.gz SWLBTFCKNOIWBP-QWHCGFSZSA-N 1 0 382.302 1.659 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000581241287 532077874 /nfs/dbraw/zinc/07/78/74/532077874.db2.gz YJWXHVOGQZFVOF-HOTGVXAUSA-N 1 0 397.317 1.436 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000423649391 532077937 /nfs/dbraw/zinc/07/79/37/532077937.db2.gz SKAXYYRSHDYWPF-AWEZNQCLSA-N 1 0 394.313 1.790 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000326497114 532078166 /nfs/dbraw/zinc/07/81/66/532078166.db2.gz OOOLAMXRAFLYDA-CYBMUJFWSA-N 1 0 381.523 1.764 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000423636203 532078260 /nfs/dbraw/zinc/07/82/60/532078260.db2.gz FXEPBSJWTSNWNL-CABZTGNLSA-N 1 0 380.297 1.610 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000285414776 532080549 /nfs/dbraw/zinc/08/05/49/532080549.db2.gz XIUZEJMLUVDTSY-GFCCVEGCSA-N 1 0 383.290 1.973 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423726282 532079116 /nfs/dbraw/zinc/07/91/16/532079116.db2.gz PPMAZUVAXYNJHJ-UHFFFAOYSA-N 1 0 380.286 1.762 20 0 GDADRO COC(=O)[C@]1(NC(=O)CC2([NH3+])CC2)CCc2cc(Br)ccc2C1 ZINC000602544339 532080046 /nfs/dbraw/zinc/08/00/46/532080046.db2.gz QCKPGAWEFFCIKY-KRWDZBQOSA-N 1 0 381.270 1.847 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)C2)s1 ZINC000272163706 532081846 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381.274 1.690 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cn2ccc(Br)cc2n1 ZINC000286070542 532130409 /nfs/dbraw/zinc/13/04/09/532130409.db2.gz MKLWGDHLVWYPMN-CYBMUJFWSA-N 1 0 394.317 1.853 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000286074068 532130936 /nfs/dbraw/zinc/13/09/36/532130936.db2.gz MMGYDTPSWKZGLQ-XSSZXYGBSA-N 1 0 396.332 1.274 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000273100118 532134077 /nfs/dbraw/zinc/13/40/77/532134077.db2.gz LUCGFSYLRZHPJW-CQSZACIVSA-N 1 0 395.319 1.028 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000331781649 532152501 /nfs/dbraw/zinc/15/25/01/532152501.db2.gz DMTQGYBWYNEYPP-TVQRCGJNSA-N 1 0 388.287 1.705 20 0 GDADRO C[C@@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)s2)CC[N@@H+]1CC(C)(C)O ZINC000425453196 532140201 /nfs/dbraw/zinc/14/02/01/532140201.db2.gz YSGXKKOEYRWFSF-CYBMUJFWSA-N 1 0 375.560 1.275 20 0 GDADRO Cc1ncc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c(Cl)c1Cl ZINC000374939034 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CN(CC(=O)N1CC[NH2+]CC1)C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000428181702 532200335 /nfs/dbraw/zinc/20/03/35/532200335.db2.gz GFHYEEVWBLEHNZ-UHFFFAOYSA-N 1 0 383.901 1.146 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375962899 532189898 /nfs/dbraw/zinc/18/98/98/532189898.db2.gz HYTOMEIYLHJATQ-DOMZBBRYSA-N 1 0 379.507 1.418 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000274159246 532190111 /nfs/dbraw/zinc/19/01/11/532190111.db2.gz KKXDEAFQHUTAPS-RHSMWYFYSA-N 1 0 383.539 1.422 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000274168591 532190536 /nfs/dbraw/zinc/19/05/36/532190536.db2.gz NULCGLBRLFTBAO-WCQYABFASA-N 1 0 385.511 1.567 20 0 GDADRO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]1 ZINC000332706563 532207177 /nfs/dbraw/zinc/20/71/77/532207177.db2.gz UGGKMFIQFQHCNK-RISCZKNCSA-N 1 0 381.274 1.558 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3SCCc4sccc43)CC2)C1=O ZINC000332792052 532210323 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GDADRO Cc1c(C(=O)N2CCO[C@@H](C[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000274718028 532227676 /nfs/dbraw/zinc/22/76/76/532227676.db2.gz ASXUJYWCELEZTP-AWEZNQCLSA-N 1 0 379.258 1.743 20 0 GDADRO O=C(NCCCn1cc(Br)cn1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000376771248 532227853 /nfs/dbraw/zinc/22/78/53/532227853.db2.gz GSOZGXRJHVUTTG-UONOGXRCSA-N 1 0 386.294 1.198 20 0 GDADRO COc1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)c(I)c1 ZINC000274726389 532228580 /nfs/dbraw/zinc/22/85/80/532228580.db2.gz BXQZJMVRXCXOLR-SNVBAGLBSA-N 1 0 376.194 1.100 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)C1 ZINC000429443894 532228978 /nfs/dbraw/zinc/22/89/78/532228978.db2.gz GZXZZGYZDBXSSD-ZFWWWQNUSA-N 1 0 376.316 1.767 20 0 GDADRO C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000429474400 532229425 /nfs/dbraw/zinc/22/94/25/532229425.db2.gz YMXNVMWHTPCFFH-JSGCOSHPSA-N 1 0 378.441 1.374 20 0 GDADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000376820464 532230207 /nfs/dbraw/zinc/23/02/07/532230207.db2.gz UUFIFBOUHSGCEQ-UAGQMJEPSA-N 1 0 386.539 1.395 20 0 GDADRO CCc1c(C(=O)N2CCO[C@H](C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000274759306 532231799 /nfs/dbraw/zinc/23/17/99/532231799.db2.gz HXTVSGCRFDAOCX-CQSZACIVSA-N 1 0 393.285 1.997 20 0 GDADRO Cc1cccc(S(=O)(=O)CCC[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000429706169 532232225 /nfs/dbraw/zinc/23/22/25/532232225.db2.gz FJHJNIXAZQQFIL-IRXDYDNUSA-N 1 0 388.555 1.609 20 0 GDADRO O=S(=O)(c1ccc(Cl)cc1)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000429716024 532232673 /nfs/dbraw/zinc/23/26/73/532232673.db2.gz FKTMNQMXWGYMOS-UHFFFAOYSA-N 1 0 387.933 1.369 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000429722449 532233141 /nfs/dbraw/zinc/23/31/41/532233141.db2.gz YUBQALZLAUWKIZ-STQMWFEESA-N 1 0 389.905 1.737 20 0 GDADRO Cc1c(C(=O)N2CCO[C@@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000274799651 532234099 /nfs/dbraw/zinc/23/40/99/532234099.db2.gz ORAGWUBTNOGKTD-ZDUSSCGKSA-N 1 0 380.246 1.138 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccsc2Br)C[N@@H+]1C1CC1 ZINC000287696982 532234292 /nfs/dbraw/zinc/23/42/92/532234292.db2.gz SWSLLDKVRBFXLL-MWLCHTKSSA-N 1 0 386.315 1.868 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000333427578 532234807 /nfs/dbraw/zinc/23/48/07/532234807.db2.gz MZUYNMMTNDIVPG-VVLHAWIVSA-N 1 0 392.587 1.478 20 0 GDADRO COC(=O)CN(C)C(=O)CC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000428992737 532220934 /nfs/dbraw/zinc/22/09/34/532220934.db2.gz KSIGKJOSOBMYMG-CYBMUJFWSA-N 1 0 391.237 1.233 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000429037004 532222190 /nfs/dbraw/zinc/22/21/90/532222190.db2.gz SHBFWZNEYYBKRU-IINYFYTJSA-N 1 0 395.294 1.493 20 0 GDADRO O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)N1 ZINC000333178231 532223650 /nfs/dbraw/zinc/22/36/50/532223650.db2.gz RRDIHWRLHGKNKR-MGPLVRAMSA-N 1 0 388.251 1.407 20 0 GDADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000376695561 532224960 /nfs/dbraw/zinc/22/49/60/532224960.db2.gz POJKCRXWIVXWHX-HNNXBMFYSA-N 1 0 383.539 1.051 20 0 GDADRO C[C@@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000333530110 532240376 /nfs/dbraw/zinc/24/03/76/532240376.db2.gz HVSMPHAMIAGUCJ-MNOVXSKESA-N 1 0 377.436 1.912 20 0 GDADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)COC1C[NH2+]C1 ZINC000430078897 532240908 /nfs/dbraw/zinc/24/09/08/532240908.db2.gz SXXKMTYADFPFBK-CQSZACIVSA-N 1 0 375.252 1.572 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC[NH2+]1 ZINC000377077442 532241054 /nfs/dbraw/zinc/24/10/54/532241054.db2.gz KTJDRNFLXCWCKQ-YPMHNXCESA-N 1 0 396.285 1.821 20 0 GDADRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000287788703 532241614 /nfs/dbraw/zinc/24/16/14/532241614.db2.gz CEIMLGHCDKQZGY-SWLSCSKDSA-N 1 0 396.285 1.709 20 0 GDADRO O=C(CCN1C(=O)COc2cc(Br)ccc21)NC1CC[NH2+]CC1 ZINC000377124743 532243505 /nfs/dbraw/zinc/24/35/05/532243505.db2.gz AUIUVNNFUMCTBH-UHFFFAOYSA-N 1 0 382.258 1.433 20 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383.695 1.839 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000288539032 532295500 /nfs/dbraw/zinc/29/55/00/532295500.db2.gz AFJGUFOGILQXAP-KRWDZBQOSA-N 1 0 385.917 1.806 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000275455617 532296453 /nfs/dbraw/zinc/29/64/53/532296453.db2.gz UIDPJKALBPYXSQ-UHFFFAOYSA-N 1 0 384.933 1.852 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)oc1C ZINC000275492139 532297111 /nfs/dbraw/zinc/29/71/11/532297111.db2.gz PIHFHSUEVHHRJE-ZIAGYGMSSA-N 1 0 388.511 1.575 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)oc1C ZINC000275492135 532297200 /nfs/dbraw/zinc/29/72/00/532297200.db2.gz PIHFHSUEVHHRJE-UONOGXRCSA-N 1 0 388.511 1.575 20 0 GDADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000288596384 532297930 /nfs/dbraw/zinc/29/79/30/532297930.db2.gz NKXYNABILBZDNB-LBPRGKRZSA-N 1 0 385.306 1.820 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000391860166 532298893 /nfs/dbraw/zinc/29/88/93/532298893.db2.gz OWMHANIZGCUHRA-CYBMUJFWSA-N 1 0 397.324 1.747 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000392681306 532299494 /nfs/dbraw/zinc/29/94/94/532299494.db2.gz FETWSEUODQGMRN-OAHLLOKOSA-N 1 0 375.535 1.408 20 0 GDADRO O=C(NC[C@H]1CCCN(C(=O)c2ccncc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000395917090 532301232 /nfs/dbraw/zinc/30/12/32/532301232.db2.gz BJJZZYIRZKTSCZ-IUODEOHRSA-N 1 0 395.301 1.565 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000400143287 532304071 /nfs/dbraw/zinc/30/40/71/532304071.db2.gz MFAZPZSHBOSZEJ-HIFRSBDPSA-N 1 0 389.543 1.012 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1cc(OC)c(OC)cc1Br ZINC000288736271 532305729 /nfs/dbraw/zinc/30/57/29/532305729.db2.gz LVHLOTWKEQPRJO-LLVKDONJSA-N 1 0 389.246 1.363 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000288851620 532309667 /nfs/dbraw/zinc/30/96/67/532309667.db2.gz WWGCSMYBTKUFLZ-RNCFNFMXSA-N 1 0 375.238 1.916 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(O)c(Br)c2)[C@@H](C)C1 ZINC000289095394 532315700 /nfs/dbraw/zinc/31/57/00/532315700.db2.gz FKVTUJFKMBKOGN-RYUDHWBXSA-N 1 0 386.290 1.751 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000276081122 532319370 /nfs/dbraw/zinc/31/93/70/532319370.db2.gz SKDZLRXOYMJZJT-QWRGUYRKSA-N 1 0 378.541 1.509 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(Cl)ncc2Br)CC1 ZINC000289539710 532327464 /nfs/dbraw/zinc/32/74/64/532327464.db2.gz SVVHUPIUVKZNIU-UHFFFAOYSA-N 1 0 389.681 1.344 20 0 GDADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000276335007 532327465 /nfs/dbraw/zinc/32/74/65/532327465.db2.gz JBFNVOGWTPQEPJ-UHFFFAOYSA-N 1 0 375.560 1.644 20 0 GDADRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000289539263 532327553 /nfs/dbraw/zinc/32/75/53/532327553.db2.gz JRIMJHUDBHPFFF-GDBMZVCRSA-N 1 0 385.555 1.652 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000289567084 532328292 /nfs/dbraw/zinc/32/82/92/532328292.db2.gz GLDLFDNIGGNCBK-RUZDIDTESA-N 1 0 385.555 1.056 20 0 GDADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000289636989 532330003 /nfs/dbraw/zinc/33/00/03/532330003.db2.gz PSUDNCPFBYYSCZ-HZPDHXFCSA-N 1 0 385.917 1.561 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000289710178 532331160 /nfs/dbraw/zinc/33/11/60/532331160.db2.gz UHVKZSMPWNKZFV-LLVKDONJSA-N 1 0 394.324 1.730 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289757457 532331663 /nfs/dbraw/zinc/33/16/63/532331663.db2.gz MVAJBMVPASPSLW-KGLIPLIRSA-N 1 0 383.539 1.143 20 0 GDADRO C[C@H](CN1CCOCC1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000289885715 532333429 /nfs/dbraw/zinc/33/34/29/532333429.db2.gz MQSZBNYUUSGLNU-CYBMUJFWSA-N 1 0 380.290 1.840 20 0 GDADRO COc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(I)c1 ZINC000290050646 532335933 /nfs/dbraw/zinc/33/59/33/532335933.db2.gz HDWSNSFXWKXGPX-WDEREUQCSA-N 1 0 386.233 1.981 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000359999423 212131526 /nfs/dbraw/zinc/13/15/26/212131526.db2.gz ZBFXTVCLIISUHM-OAHLLOKOSA-N 1 0 380.489 1.650 20 0 GDADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000359912246 212125220 /nfs/dbraw/zinc/12/52/20/212125220.db2.gz YWKISKFOECKMFA-OAQYLSRUSA-N 1 0 399.535 1.996 20 0 GDADRO CCc1ccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)o1 ZINC000576364218 570454557 /nfs/dbraw/zinc/45/45/57/570454557.db2.gz NNTAEMRMVKIQPE-INIZCTEOSA-N 1 0 385.512 1.778 20 0 GDADRO CN(C(=O)c1ccc(-c2nn[nH]n2)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736750207 598823088 /nfs/dbraw/zinc/82/30/88/598823088.db2.gz WHURZSZGNDGPEP-UHFFFAOYSA-N 1 0 377.452 1.998 20 0 GDADRO CCC[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736422887 598835274 /nfs/dbraw/zinc/83/52/74/598835274.db2.gz KFMPHSDUBSZGRZ-HNNXBMFYSA-N 1 0 394.545 1.996 20 0 GDADRO C[C@]1(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOC1 ZINC000736216952 598839937 /nfs/dbraw/zinc/83/99/37/598839937.db2.gz OJFIXFLTZIASCZ-HXUWFJFHSA-N 1 0 399.499 1.511 20 0 GDADRO O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737790558 598848687 /nfs/dbraw/zinc/84/86/87/598848687.db2.gz GEYVHKDAVLGMFO-VQIMIIECSA-N 1 0 395.511 1.780 20 0 GDADRO CCOC(=O)[C@H]1CCC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736590048 598849955 /nfs/dbraw/zinc/84/99/55/598849955.db2.gz DESYULJMPKHWIY-INIZCTEOSA-N 1 0 396.455 1.666 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000737524553 598853176 /nfs/dbraw/zinc/85/31/76/598853176.db2.gz MZQLCAUKIWBOSW-SUMWQHHRSA-N 1 0 379.472 1.560 20 0 GDADRO COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736971731 598865690 /nfs/dbraw/zinc/86/56/90/598865690.db2.gz KRJBJVVNQPZFDO-QWRGUYRKSA-N 1 0 376.486 1.712 20 0 GDADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736456176 598871769 /nfs/dbraw/zinc/87/17/69/598871769.db2.gz DUSIWKISUZEKIY-CQSZACIVSA-N 1 0 396.492 1.939 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737297105 598877168 /nfs/dbraw/zinc/87/71/68/598877168.db2.gz UKMGJVQRWHZLGU-AWEZNQCLSA-N 1 0 376.486 1.282 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]Cc1ccccc1OCC1CC1)C2 ZINC000738436043 598888174 /nfs/dbraw/zinc/88/81/74/598888174.db2.gz MSWFDYVEYYFHDP-AWEZNQCLSA-N 1 0 380.456 1.684 20 0 GDADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)COCc1ccccc1 ZINC000736802483 598897463 /nfs/dbraw/zinc/89/74/63/598897463.db2.gz SXOAIJXGCSJLIZ-SFHVURJKSA-N 1 0 383.452 1.755 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736759196 598898539 /nfs/dbraw/zinc/89/85/39/598898539.db2.gz PNQFOJLRLYXBCW-LBPRGKRZSA-N 1 0 389.529 1.629 20 0 GDADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000736481599 598930674 /nfs/dbraw/zinc/93/06/74/598930674.db2.gz YCGUDBQSRCXIDQ-QGZVFWFLSA-N 1 0 399.499 1.015 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc(-c2nn[nH]n2)cc1Cl ZINC000736744950 598940085 /nfs/dbraw/zinc/94/00/85/598940085.db2.gz DKGDOWVZAFXMBW-ZDUSSCGKSA-N 1 0 378.868 1.270 20 0 GDADRO C[C@H](O)C[NH+]1CCC(CN(C)c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000736147882 598966663 /nfs/dbraw/zinc/96/66/63/598966663.db2.gz NTJXSEYWNMQMRK-ZDUSSCGKSA-N 1 0 382.472 1.339 20 0 GDADRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000736523068 598987178 /nfs/dbraw/zinc/98/71/78/598987178.db2.gz NLMVJDDXAUDSEI-HNNXBMFYSA-N 1 0 388.472 1.587 20 0 GDADRO COC1CC[NH+](C2(CNC(=O)c3ccc(-c4nn[nH]n4)nc3)CCCC2)CC1 ZINC000736959821 599004184 /nfs/dbraw/zinc/00/41/84/599004184.db2.gz AKNIORQWBCRKOA-UHFFFAOYSA-N 1 0 385.472 1.415 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC000736564447 599007885 /nfs/dbraw/zinc/00/78/85/599007885.db2.gz BQOSSCXDWSEREL-CZUORRHYSA-N 1 0 378.502 1.501 20 0 GDADRO COC(=O)[C@@H](C)C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)C1CC1 ZINC000736891703 599019344 /nfs/dbraw/zinc/01/93/44/599019344.db2.gz KBUUCYREJDEGNV-LBPRGKRZSA-N 1 0 375.429 1.528 20 0 GDADRO COc1ccc(C(C)(C)C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737072090 599095895 /nfs/dbraw/zinc/09/58/95/599095895.db2.gz JCAHTXRDLZSUEQ-QGZVFWFLSA-N 1 0 380.452 1.969 20 0 GDADRO CC1CC[NH+](C[C@H]2CCCN([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736277487 599133425 /nfs/dbraw/zinc/13/34/25/599133425.db2.gz XGMORSSTUMMXFW-VQIMIIECSA-N 1 0 397.527 1.837 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CC[C@H](CCO)C1 ZINC000735570544 599140087 /nfs/dbraw/zinc/14/00/87/599140087.db2.gz NQNIHGZUBKLIIB-GHMZBOCLSA-N 1 0 376.486 1.448 20 0 GDADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC000736759146 599178120 /nfs/dbraw/zinc/17/81/20/599178120.db2.gz ODDLROPAJYFPRI-CQSZACIVSA-N 1 0 384.481 1.651 20 0 GDADRO CCOCC[N@@H+]1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)C[C@@H]1CC ZINC000736620644 599201614 /nfs/dbraw/zinc/20/16/14/599201614.db2.gz YFIPHXGCSYJYLB-IBSYWUHOSA-N 1 0 384.484 1.839 20 0 GDADRO CC[C@@H]1CN(C(=S)Nc2ccccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000736411617 599221586 /nfs/dbraw/zinc/22/15/86/599221586.db2.gz RCFVRHUHFJEVLD-CYBMUJFWSA-N 1 0 375.502 1.606 20 0 GDADRO COCC[N@@H+]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@@H]1C ZINC000737004892 599231519 /nfs/dbraw/zinc/23/15/19/599231519.db2.gz PQKRZWJNDRLJMQ-HNNXBMFYSA-N 1 0 382.472 1.340 20 0 GDADRO Cc1c(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)cccc1-c1nn[nH]n1 ZINC000822053730 607272423 /nfs/dbraw/zinc/27/24/23/607272423.db2.gz PVMGDHDSOBEYEU-UHFFFAOYSA-N 1 0 399.499 1.884 20 0 GDADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1C)[NH+](C)C ZINC000820892548 607276353 /nfs/dbraw/zinc/27/63/53/607276353.db2.gz BGEQRYWWDOKZJA-MRXNPFEDSA-N 1 0 387.488 1.596 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cccc1-c1nn[nH]n1 ZINC000822053433 607274101 /nfs/dbraw/zinc/27/41/01/607274101.db2.gz NJFOXYGUQAFTBK-MRXNPFEDSA-N 1 0 385.472 1.350 20 0 GDADRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cccc1-c1nn[nH]n1 ZINC000822052633 607274628 /nfs/dbraw/zinc/27/46/28/607274628.db2.gz FILPRIWCSYXAGE-UHFFFAOYSA-N 1 0 385.472 1.493 20 0 GDADRO Cc1c(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822053918 607274643 /nfs/dbraw/zinc/27/46/43/607274643.db2.gz SOKPCSFMKVOKOX-ZDUSSCGKSA-N 1 0 399.499 1.740 20 0 GDADRO CCN1CC[NH+](CCCCNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC000821267166 607287097 /nfs/dbraw/zinc/28/70/97/607287097.db2.gz LVCMJOBRKVHMMJ-UHFFFAOYSA-N 1 0 386.504 1.714 20 0 GDADRO CN(C)c1cccc(C[N@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821614792 607312346 /nfs/dbraw/zinc/31/23/46/607312346.db2.gz VEKFAQXENYDLIZ-SFHVURJKSA-N 1 0 382.468 1.804 20 0 GDADRO Cc1nnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c(-c2nn[nH]n2)c1C ZINC000737534813 599267003 /nfs/dbraw/zinc/26/70/03/599267003.db2.gz XTORKWGZBGSINT-LLVKDONJSA-N 1 0 398.500 1.818 20 0 GDADRO NC(=O)c1ccc(N2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737759126 599272326 /nfs/dbraw/zinc/27/23/26/599272326.db2.gz HNNPTYPYUVIERP-UHFFFAOYSA-N 1 0 393.451 1.167 20 0 GDADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000736291591 599288473 /nfs/dbraw/zinc/28/84/73/599288473.db2.gz GBDDEWXNDCQXFP-XJKSGUPXSA-N 1 0 380.456 1.975 20 0 GDADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000736291590 599288877 /nfs/dbraw/zinc/28/88/77/599288877.db2.gz GBDDEWXNDCQXFP-CZUORRHYSA-N 1 0 380.456 1.975 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)NC1CC[NH+](CCO)CC1 ZINC000823303241 599289919 /nfs/dbraw/zinc/28/99/19/599289919.db2.gz DWMLCHBIESKAPH-UHFFFAOYSA-N 1 0 399.377 1.464 20 0 GDADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)C(C)C ZINC000820116289 607341451 /nfs/dbraw/zinc/34/14/51/607341451.db2.gz GHBREYNPSAHGPT-UHFFFAOYSA-N 1 0 391.451 1.569 20 0 GDADRO 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ZINC000737160223 598255543 /nfs/dbraw/zinc/25/55/43/598255543.db2.gz WEGXLYJYASXXEL-UHFFFAOYSA-N 1 0 380.412 1.624 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738051531 598264414 /nfs/dbraw/zinc/26/44/14/598264414.db2.gz OMTADJUTAFNDTI-NEPJUHHUSA-N 1 0 377.836 1.505 20 0 GDADRO CC(C)[C@@H](CNC(=O)NCCNc1ncccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC000735706473 598269719 /nfs/dbraw/zinc/26/97/19/598269719.db2.gz BLPFWTNXVGHBSI-OAHLLOKOSA-N 1 0 387.492 1.093 20 0 GDADRO C[C@H]([NH2+]CCC(=O)NC(=O)NCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736137930 598273334 /nfs/dbraw/zinc/27/33/34/598273334.db2.gz YXISVXCRBFTZCZ-AWEZNQCLSA-N 1 0 393.451 1.933 20 0 GDADRO COCC[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736977669 598283970 /nfs/dbraw/zinc/28/39/70/598283970.db2.gz ZYDJOAPPCQSBLE-OAHLLOKOSA-N 1 0 387.488 1.509 20 0 GDADRO CC[NH+](CC)CCCNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736529983 598294077 /nfs/dbraw/zinc/29/40/77/598294077.db2.gz CZMHKRKGIWGJOK-UHFFFAOYSA-N 1 0 386.504 1.430 20 0 GDADRO S=C(NCCCC[NH+]1CCOCC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738400643 598321385 /nfs/dbraw/zinc/32/13/85/598321385.db2.gz HUBQKALMOZEXBA-UHFFFAOYSA-N 1 0 395.920 1.919 20 0 GDADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736765422 598326014 /nfs/dbraw/zinc/32/60/14/598326014.db2.gz WPOMOSCUFZLHIS-KRWDZBQOSA-N 1 0 397.458 1.978 20 0 GDADRO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1CC ZINC000736621128 598345608 /nfs/dbraw/zinc/34/56/08/598345608.db2.gz ZZZPYSOROYGRLT-KRWDZBQOSA-N 1 0 387.488 1.238 20 0 GDADRO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000737474697 598351764 /nfs/dbraw/zinc/35/17/64/598351764.db2.gz QNDOBHXOIPHSCW-INIZCTEOSA-N 1 0 382.472 1.866 20 0 GDADRO Cc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500071 598356013 /nfs/dbraw/zinc/35/60/13/598356013.db2.gz NJXWIFNMCIXPQF-SJORKVTESA-N 1 0 383.456 1.448 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737005514 598363505 /nfs/dbraw/zinc/36/35/05/598363505.db2.gz BMSFEDXZOBVPKS-FUHWJXTLSA-N 1 0 399.499 1.063 20 0 GDADRO O=C(CC[N@@H+]1CCCN(c2cccnn2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737842909 598365311 /nfs/dbraw/zinc/36/53/11/598365311.db2.gz FFFKGMAHTWJGNI-UHFFFAOYSA-N 1 0 399.484 1.259 20 0 GDADRO C[NH+]1CCN(c2ccc(CNc3ncc(-c4nn[nH]n4)cc3Cl)cn2)CC1 ZINC000736866846 598387509 /nfs/dbraw/zinc/38/75/09/598387509.db2.gz HUPAZRSPIDFQJT-UHFFFAOYSA-N 1 0 385.863 1.674 20 0 GDADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000736187871 598417851 /nfs/dbraw/zinc/41/78/51/598417851.db2.gz JZLJOYTYIZWKED-LBPRGKRZSA-N 1 0 376.380 1.853 20 0 GDADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000736181161 598424304 /nfs/dbraw/zinc/42/43/04/598424304.db2.gz JPKTYJWDLWBQBU-OAHLLOKOSA-N 1 0 395.467 1.619 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2snc(Cl)c2-c2nn[nH]n2)CC1 ZINC000736860604 598427184 /nfs/dbraw/zinc/42/71/84/598427184.db2.gz UKEQJYKHASAGRZ-LLVKDONJSA-N 1 0 382.925 1.583 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCOC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736322627 598429499 /nfs/dbraw/zinc/42/94/99/598429499.db2.gz MPNMABISPQKZJB-OAHLLOKOSA-N 1 0 389.504 1.755 20 0 GDADRO O=C(Nc1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000738162962 598431931 /nfs/dbraw/zinc/43/19/31/598431931.db2.gz JMRARAZNHUXGLN-LBPRGKRZSA-N 1 0 389.847 1.155 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000737009261 598434334 /nfs/dbraw/zinc/43/43/34/598434334.db2.gz YTXWKUCUAIZWPD-NSHDSACASA-N 1 0 381.893 1.527 20 0 GDADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736868546 598438168 /nfs/dbraw/zinc/43/81/68/598438168.db2.gz SSQKFMZOARKUCV-UHFFFAOYSA-N 1 0 398.858 1.919 20 0 GDADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000737428161 598459592 /nfs/dbraw/zinc/45/95/92/598459592.db2.gz LJHNUKYRJWZRGC-UHFFFAOYSA-N 1 0 377.452 1.918 20 0 GDADRO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000735943326 598465321 /nfs/dbraw/zinc/46/53/21/598465321.db2.gz POHGXJOODIFACD-UHFFFAOYSA-N 1 0 396.499 1.850 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738151125 598486144 /nfs/dbraw/zinc/48/61/44/598486144.db2.gz GJQDJZWXLFRNLT-INIZCTEOSA-N 1 0 383.456 1.282 20 0 GDADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC000737614838 598493485 /nfs/dbraw/zinc/49/34/85/598493485.db2.gz BDJPWDJXSRGQLB-HNNXBMFYSA-N 1 0 381.362 1.530 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000737546223 598498071 /nfs/dbraw/zinc/49/80/71/598498071.db2.gz AZTNHXZTZBLSGG-AWEZNQCLSA-N 1 0 381.440 1.773 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ncccc3-c3nn[nH]n3)c2)C1 ZINC000737746940 598502441 /nfs/dbraw/zinc/50/24/41/598502441.db2.gz UTQIXZVKWVXADC-MRXNPFEDSA-N 1 0 392.467 1.571 20 0 GDADRO C[C@@H](CNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000736279095 598506195 /nfs/dbraw/zinc/50/61/95/598506195.db2.gz VBSFZRZCYRTAKC-AWEZNQCLSA-N 1 0 378.502 1.407 20 0 GDADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736247423 598510100 /nfs/dbraw/zinc/51/01/00/598510100.db2.gz CTIISVKQYRPBIH-OKILXGFUSA-N 1 0 378.502 1.549 20 0 GDADRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735984604 598527453 /nfs/dbraw/zinc/52/74/53/598527453.db2.gz BRJQRERVXUFNJG-OCCSQVGLSA-N 1 0 396.455 1.445 20 0 GDADRO COc1ccccc1C(C)(C)C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737137829 598528193 /nfs/dbraw/zinc/52/81/93/598528193.db2.gz JPJLWRNJCLXOIA-CYBMUJFWSA-N 1 0 382.472 1.681 20 0 GDADRO CCn1c(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)nc2ccccc21 ZINC000736721008 598530737 /nfs/dbraw/zinc/53/07/37/598530737.db2.gz ZJYHLQCXFCPSIV-LBPRGKRZSA-N 1 0 378.444 1.264 20 0 GDADRO FC(F)COc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000737640086 598530859 /nfs/dbraw/zinc/53/08/59/598530859.db2.gz ZQPADCOTQUGBGD-GFCCVEGCSA-N 1 0 390.398 1.539 20 0 GDADRO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000738038486 598531132 /nfs/dbraw/zinc/53/11/32/598531132.db2.gz JLLKKZZDNIQAJV-KRWDZBQOSA-N 1 0 397.483 1.073 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCCc1c[nH]c3ccccc13)C2 ZINC000738433967 598532475 /nfs/dbraw/zinc/53/24/75/598532475.db2.gz XPUYCAPMBULXCU-CYBMUJFWSA-N 1 0 377.456 1.809 20 0 GDADRO CNC(=O)c1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000736878431 598558513 /nfs/dbraw/zinc/55/85/13/598558513.db2.gz TXGMAKUWELVMKV-UHFFFAOYSA-N 1 0 391.479 1.544 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)NCC1CCCCC1 ZINC000737842953 598559003 /nfs/dbraw/zinc/55/90/03/598559003.db2.gz FZFFTQVVDCSSLH-UHFFFAOYSA-N 1 0 398.515 1.470 20 0 GDADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH2+]CCN3CCOCC3)c2)c1 ZINC000738409874 598560741 /nfs/dbraw/zinc/56/07/41/598560741.db2.gz IQASIPANWOQRMW-UHFFFAOYSA-N 1 0 394.479 1.868 20 0 GDADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736770621 598563613 /nfs/dbraw/zinc/56/36/13/598563613.db2.gz BXTLPSSYAZILFA-UHFFFAOYSA-N 1 0 393.451 1.226 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265422 598595096 /nfs/dbraw/zinc/59/50/96/598595096.db2.gz JODCWRRONRABCS-MAUKXSAKSA-N 1 0 383.500 1.684 20 0 GDADRO C[NH+]1CCC(CCNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736849228 598596566 /nfs/dbraw/zinc/59/65/66/598596566.db2.gz QPLJRPPNKVZMDD-SFHVURJKSA-N 1 0 383.500 1.684 20 0 GDADRO COCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737006736 598596746 /nfs/dbraw/zinc/59/67/46/598596746.db2.gz IPRSUFAADFJQCY-SFHVURJKSA-N 1 0 399.499 1.063 20 0 GDADRO COc1cccc(N2CC[C@H]([NH2+]Cc3cnc4c(-c5nn[nH]n5)cnn4c3)C2)c1 ZINC000737138972 598617533 /nfs/dbraw/zinc/61/75/33/598617533.db2.gz JEMFYGJWOHLZGZ-AWEZNQCLSA-N 1 0 391.439 1.287 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000735835165 598631877 /nfs/dbraw/zinc/63/18/77/598631877.db2.gz FKOGLUJGLQCQNT-ZDUSSCGKSA-N 1 0 377.424 1.484 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736268016 598636869 /nfs/dbraw/zinc/63/68/69/598636869.db2.gz WCTFCHBXEWZGKB-VXGBXAGGSA-N 1 0 389.435 1.181 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736534057 598672227 /nfs/dbraw/zinc/67/22/27/598672227.db2.gz LDHIGUJETDMIES-UHFFFAOYSA-N 1 0 377.880 1.511 20 0 GDADRO O=C1CN(C[N@@H+]2CCC[C@@H]2C2CC2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738303315 598672931 /nfs/dbraw/zinc/67/29/31/598672931.db2.gz PTGBMPKNWRCGFI-MRXNPFEDSA-N 1 0 381.440 1.463 20 0 GDADRO Cc1nc(SCC(=O)NC[C@@H]2CC[N@@H+](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737485085 598685209 /nfs/dbraw/zinc/68/52/09/598685209.db2.gz ZLABPDPTGQOWJV-ZDUSSCGKSA-N 1 0 375.502 1.347 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736855435 598688555 /nfs/dbraw/zinc/68/85/55/598688555.db2.gz GSDIHVXANBWPED-OAHLLOKOSA-N 1 0 379.424 1.878 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736568349 598694031 /nfs/dbraw/zinc/69/40/31/598694031.db2.gz AMJKXFHOMSRKKI-LBPRGKRZSA-N 1 0 391.863 1.449 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736573582 598694402 /nfs/dbraw/zinc/69/44/02/598694402.db2.gz ZWNHTHPEZKAMHU-ZWKOTPCHSA-N 1 0 383.500 1.826 20 0 GDADRO O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000738353726 598695367 /nfs/dbraw/zinc/69/53/67/598695367.db2.gz FYSSVQNXNFKGAP-CYBMUJFWSA-N 1 0 394.476 1.645 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737843294 598708456 /nfs/dbraw/zinc/70/84/56/598708456.db2.gz KCFQRDPAPDRTDH-CQSZACIVSA-N 1 0 383.456 1.282 20 0 GDADRO Cn1nccc1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737627580 598759527 /nfs/dbraw/zinc/75/95/27/598759527.db2.gz 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CCCS(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736498664 599309780 /nfs/dbraw/zinc/30/97/80/599309780.db2.gz WQFVJVFYQVAOHY-ZDUSSCGKSA-N 1 0 378.502 1.722 20 0 GDADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000736199025 599312500 /nfs/dbraw/zinc/31/25/00/599312500.db2.gz MMHHIPMZOIONLF-CYBMUJFWSA-N 1 0 378.440 1.244 20 0 GDADRO COc1cc(C)nc(N2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000737039505 599318013 /nfs/dbraw/zinc/31/80/13/599318013.db2.gz GZIWHMZUSUBIKR-AWEZNQCLSA-N 1 0 380.456 1.857 20 0 GDADRO CCN(C1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1)S(C)(=O)=O ZINC000736512584 599319345 /nfs/dbraw/zinc/31/93/45/599319345.db2.gz RGMOYGOWQNHZKZ-CYBMUJFWSA-N 1 0 378.502 1.674 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000737263094 599320180 /nfs/dbraw/zinc/32/01/80/599320180.db2.gz KNFLDRFIABVKLS-IRXDYDNUSA-N 1 0 397.458 1.898 20 0 GDADRO CC[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)CC1 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COc1ccc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1-c1nn[nH]n1 ZINC000821810304 599437568 /nfs/dbraw/zinc/43/75/68/599437568.db2.gz YBOAIBRPZBCQNU-OAHLLOKOSA-N 1 0 397.361 1.149 20 0 GDADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820698291 599439075 /nfs/dbraw/zinc/43/90/75/599439075.db2.gz SKMFOVHMEFSUSK-GASCZTMLSA-N 1 0 387.488 1.808 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C1 ZINC000820648664 599479563 /nfs/dbraw/zinc/47/95/63/599479563.db2.gz FAVPIOSSFXQOJY-BETUJISGSA-N 1 0 393.517 1.294 20 0 GDADRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000737109058 599484788 /nfs/dbraw/zinc/48/47/88/599484788.db2.gz OFLKOCIMVKFISH-INIZCTEOSA-N 1 0 395.423 1.355 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000738330549 599487251 /nfs/dbraw/zinc/48/72/51/599487251.db2.gz RBBLEXBOKGKYJL-UHFFFAOYSA-N 1 0 397.464 1.219 20 0 GDADRO CSCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737181184 599507068 /nfs/dbraw/zinc/50/70/68/599507068.db2.gz GQZXASXTDGWBHK-UHFFFAOYSA-N 1 0 377.518 1.693 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000736762877 599519887 /nfs/dbraw/zinc/51/98/87/599519887.db2.gz KZDXAVVKIGMVMQ-UHFFFAOYSA-N 1 0 383.378 1.096 20 0 GDADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2NCC1([NH+]2CCCC2)CCOCC1 ZINC000823796959 599530760 /nfs/dbraw/zinc/53/07/60/599530760.db2.gz IYDBFWFDYQUAHR-UHFFFAOYSA-N 1 0 379.468 1.894 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)C[C@@H]1C ZINC000820480720 599530805 /nfs/dbraw/zinc/53/08/05/599530805.db2.gz NFWOILRRDKTCSW-QWRGUYRKSA-N 1 0 389.410 1.584 20 0 GDADRO Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)n1 ZINC000822192831 599537300 /nfs/dbraw/zinc/53/73/00/599537300.db2.gz CFOQFHACXVPCKY-UHFFFAOYSA-N 1 0 393.499 1.662 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822319579 599599003 /nfs/dbraw/zinc/59/90/03/599599003.db2.gz 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CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821180721 599644211 /nfs/dbraw/zinc/64/42/11/599644211.db2.gz GEVXEQRKGHNHHX-TZMCWYRMSA-N 1 0 375.477 1.820 20 0 GDADRO CC[C@H]1C[C@H](C)C[N@@H+]1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000820972688 599646361 /nfs/dbraw/zinc/64/63/61/599646361.db2.gz QSGJFGAINUUYTA-ZFWWWQNUSA-N 1 0 383.456 1.709 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000822534935 599654166 /nfs/dbraw/zinc/65/41/66/599654166.db2.gz CSWQMAXLJTWZCS-KGLIPLIRSA-N 1 0 381.440 1.868 20 0 GDADRO C[C@H](CNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCCCC1 ZINC000820261725 599670914 /nfs/dbraw/zinc/67/09/14/599670914.db2.gz PBZMJOHRJPPVFV-OAHLLOKOSA-N 1 0 387.488 1.667 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820709070 599672409 /nfs/dbraw/zinc/67/24/09/599672409.db2.gz CNUUZJBKHQNEKR-LSDHHAIUSA-N 1 0 387.488 1.665 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821268407 599675739 /nfs/dbraw/zinc/67/57/39/599675739.db2.gz WENHFMODGDNVGA-GOSISDBHSA-N 1 0 398.515 1.178 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000821267335 599675846 /nfs/dbraw/zinc/67/58/46/599675846.db2.gz MNQJSKYRSZYELG-MRXNPFEDSA-N 1 0 398.515 1.573 20 0 GDADRO CN1CCO[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821628673 599697948 /nfs/dbraw/zinc/69/79/48/599697948.db2.gz OBDORTCWWFWJBQ-QGZVFWFLSA-N 1 0 380.408 1.928 20 0 GDADRO O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)NCCC[NH+]3CCCC3)cc2)CC1 ZINC000739802106 600123606 /nfs/dbraw/zinc/12/36/06/600123606.db2.gz REOIFUJCMXJQQE-UHFFFAOYSA-N 1 0 389.500 1.501 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000819864932 607448717 /nfs/dbraw/zinc/44/87/17/607448717.db2.gz ABZJAZZEHARNOF-WCQYABFASA-N 1 0 393.879 1.110 20 0 GDADRO Cc1oc(NC(=O)C[NH2+]C2(CO)Cc3ccccc3C2)c(-c2nn[nH]n2)c1C ZINC000822549200 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ZINC000822192798 606450913 /nfs/dbraw/zinc/45/09/13/606450913.db2.gz BAJNQUGIQZHMLI-QGZVFWFLSA-N 1 0 379.468 1.710 20 0 GDADRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820993968 606507250 /nfs/dbraw/zinc/50/72/50/606507250.db2.gz CZDZKNSUUFXKTD-MSOLQXFVSA-N 1 0 399.499 1.917 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)cn2)CC1 ZINC000821628295 606521807 /nfs/dbraw/zinc/52/18/07/606521807.db2.gz FLSMFJFJDPHVST-UHFFFAOYSA-N 1 0 378.440 1.195 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821586302 606539775 /nfs/dbraw/zinc/53/97/75/606539775.db2.gz RULCJOZTSLLFTK-UHFFFAOYSA-N 1 0 380.474 1.274 20 0 GDADRO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3ccc(-c4nn[nH]n4)s3)CC2)nc1 ZINC000821588248 606563636 /nfs/dbraw/zinc/56/36/36/606563636.db2.gz ISSZXMMRRPJLNR-UHFFFAOYSA-N 1 0 398.496 1.347 20 0 GDADRO C[C@@H](N(C)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1(C)CC1 ZINC000820307394 606591975 /nfs/dbraw/zinc/59/19/75/606591975.db2.gz MPTKJXMCQCLCGJ-BLVKFPJESA-N 1 0 383.456 1.712 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000821581297 606614491 /nfs/dbraw/zinc/61/44/91/606614491.db2.gz ICICVAOKINIACP-CMPLNLGQSA-N 1 0 391.863 1.448 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000822135949 606615366 /nfs/dbraw/zinc/61/53/66/606615366.db2.gz HHSOKKQSKNHPIH-INIZCTEOSA-N 1 0 388.472 1.027 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1C1CC1 ZINC000820658505 606624865 /nfs/dbraw/zinc/62/48/65/606624865.db2.gz SOOOLSBOYHUBHL-QIIPPGSGSA-N 1 0 381.484 1.577 20 0 GDADRO O=C1CN(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)C(=O)N1Cc1ccccc1-c1nn[nH]n1 ZINC000823535821 606632116 /nfs/dbraw/zinc/63/21/16/606632116.db2.gz ISQYMASOUQTWEK-GASCZTMLSA-N 1 0 395.467 1.710 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000823359589 606632181 /nfs/dbraw/zinc/63/21/81/606632181.db2.gz QGKLYMOJELCDIZ-CQSZACIVSA-N 1 0 384.440 1.470 20 0 GDADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820650660 606636179 /nfs/dbraw/zinc/63/61/79/606636179.db2.gz XEICYPFYISRZHE-MJBXVCDLSA-N 1 0 378.502 1.511 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)C[C@@H]1C ZINC000821253498 606637148 /nfs/dbraw/zinc/63/71/48/606637148.db2.gz FULIEAZYWITPDT-DZGCQCFKSA-N 1 0 385.472 1.445 20 0 GDADRO COc1coc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1=O ZINC000821911356 606655832 /nfs/dbraw/zinc/65/58/32/606655832.db2.gz PNNZOAYKPAJXQX-UHFFFAOYSA-N 1 0 396.451 1.536 20 0 GDADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000821241458 606678926 /nfs/dbraw/zinc/67/89/26/606678926.db2.gz NITFQOUUVKESLQ-KBXCAEBGSA-N 1 0 399.499 1.760 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000819857620 606699598 /nfs/dbraw/zinc/69/95/98/606699598.db2.gz SXUJRPWPJDHMIM-CYBMUJFWSA-N 1 0 397.487 1.084 20 0 GDADRO Cc1ccc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c(C)c1 ZINC000822242749 606701192 /nfs/dbraw/zinc/70/11/92/606701192.db2.gz WRENGVMLFFKHSG-UHFFFAOYSA-N 1 0 383.460 1.292 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)COc2cccc(-c3nn[nH]n3)c2)c2ccccc2O1 ZINC000821584834 606747769 /nfs/dbraw/zinc/74/77/69/606747769.db2.gz UTZGUAFFITVBAE-MRXNPFEDSA-N 1 0 394.435 1.601 20 0 GDADRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000820854268 606750022 /nfs/dbraw/zinc/75/00/22/606750022.db2.gz SEAZLWIWQVMUHI-MRXNPFEDSA-N 1 0 380.474 1.805 20 0 GDADRO C[N@H+](CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)C1CCCCC1 ZINC000821600209 606763620 /nfs/dbraw/zinc/76/36/20/606763620.db2.gz BYXZOGWEDVLGFJ-UHFFFAOYSA-N 1 0 396.492 1.939 20 0 GDADRO Cc1cnn(CCCCC[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000822403230 606784433 /nfs/dbraw/zinc/78/44/33/606784433.db2.gz MAWKBINZRPXQGO-MRXNPFEDSA-N 1 0 396.503 1.543 20 0 GDADRO CCC[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)CC(C)(C)O ZINC000821088782 606795047 /nfs/dbraw/zinc/79/50/47/606795047.db2.gz WBAZCJNEFNRKKP-UHFFFAOYSA-N 1 0 398.471 1.474 20 0 GDADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000822974370 606820971 /nfs/dbraw/zinc/82/09/71/606820971.db2.gz JEXDGTDHVNHKEF-SFHVURJKSA-N 1 0 384.484 1.513 20 0 GDADRO COC(=O)C[C@@H]1CSCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821660263 606822313 /nfs/dbraw/zinc/82/23/13/606822313.db2.gz LERXTOBNGLWNND-CQSZACIVSA-N 1 0 377.470 1.616 20 0 GDADRO O[C@@H](C[NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689156 606846586 /nfs/dbraw/zinc/84/65/86/606846586.db2.gz BUZHBLLTKPKARX-FQEVSTJZSA-N 1 0 394.479 1.522 20 0 GDADRO COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821841683 606853433 /nfs/dbraw/zinc/85/34/33/606853433.db2.gz LSLIPEHZRAEEIM-DLBZAZTESA-N 1 0 385.424 1.241 20 0 GDADRO CCC(CC)C(=O)N1CCC([NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820893346 606855160 /nfs/dbraw/zinc/85/51/60/606855160.db2.gz NZRGBEKIUQOWNJ-SFHVURJKSA-N 1 0 386.500 1.917 20 0 GDADRO CN(c1cccnn1)C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821619035 606859099 /nfs/dbraw/zinc/85/90/99/606859099.db2.gz GRNHXWPFDLVBCR-QGZVFWFLSA-N 1 0 380.456 1.291 20 0 GDADRO Cc1ccc(N2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000822242470 606859690 /nfs/dbraw/zinc/85/96/90/606859690.db2.gz MCRARVSPPKVTQA-KRWDZBQOSA-N 1 0 380.456 1.211 20 0 GDADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821015296 606891959 /nfs/dbraw/zinc/89/19/59/606891959.db2.gz OSSKPJAGTIDDJV-BMGDILEWSA-N 1 0 386.500 1.917 20 0 GDADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820666459 606896555 /nfs/dbraw/zinc/89/65/55/606896555.db2.gz HZKOPPWIPCFIFM-PBHICJAKSA-N 1 0 398.492 1.808 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821625582 606897857 /nfs/dbraw/zinc/89/78/57/606897857.db2.gz RBQJSVUVRCNSMP-LJQANCHMSA-N 1 0 399.543 1.738 20 0 GDADRO O[C@@H](C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683121 606902215 /nfs/dbraw/zinc/90/22/15/606902215.db2.gz YVCJDYZOVRCFNA-IRXDYDNUSA-N 1 0 390.451 1.822 20 0 GDADRO Cc1nc(CN(C)[C@H]2CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC000822439991 606906398 /nfs/dbraw/zinc/90/63/98/606906398.db2.gz HRYFNHNCLXHZRC-INIZCTEOSA-N 1 0 398.471 1.533 20 0 GDADRO C[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820659644 606906981 /nfs/dbraw/zinc/90/69/81/606906981.db2.gz ZGEKEGOPGZKQQC-JSGCOSHPSA-N 1 0 381.444 1.385 20 0 GDADRO O=C(CC[N@@H+]1CC[C@@H](Oc2ccccn2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822963922 606915886 /nfs/dbraw/zinc/91/58/86/606915886.db2.gz AUAHIRNIEDPCCY-GFCCVEGCSA-N 1 0 385.453 1.805 20 0 GDADRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C12CCC2 ZINC000821357335 606917017 /nfs/dbraw/zinc/91/70/17/606917017.db2.gz CBXRCPCSRGBETK-IAGOWNOFSA-N 1 0 384.484 1.762 20 0 GDADRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000821357760 606917087 /nfs/dbraw/zinc/91/70/87/606917087.db2.gz FLTUGNHFOUVEFL-SJORKVTESA-N 1 0 384.484 1.762 20 0 GDADRO CCc1nnc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(-c2nn[nH]n2)c1CC ZINC000821536250 606918723 /nfs/dbraw/zinc/91/87/23/606918723.db2.gz TYJRMOMZWDTIFC-INIZCTEOSA-N 1 0 387.536 1.465 20 0 GDADRO CC[C@]1(C)CC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000820950982 606920222 /nfs/dbraw/zinc/92/02/22/606920222.db2.gz UCTDISRMFVUVEE-LJQANCHMSA-N 1 0 383.456 1.710 20 0 GDADRO CC[C@]1(C)CC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820951244 606920277 /nfs/dbraw/zinc/92/02/77/606920277.db2.gz WWGSAIKUOGZJHY-LJQANCHMSA-N 1 0 383.456 1.710 20 0 GDADRO CCOCC[N@@H+]1CCN(c2nnc(CC)c(CC)c2-c2nn[nH]n2)C[C@H]1CC ZINC000821378371 606932127 /nfs/dbraw/zinc/93/21/27/606932127.db2.gz MIGKMCLICBKGJW-CQSZACIVSA-N 1 0 388.520 1.719 20 0 GDADRO CCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821521396 606932192 /nfs/dbraw/zinc/93/21/92/606932192.db2.gz FINJPLKBVMLFPX-UHFFFAOYSA-N 1 0 396.503 1.227 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000821587155 607020224 /nfs/dbraw/zinc/02/02/24/607020224.db2.gz JJLAQIREKFKZTQ-UHFFFAOYSA-N 1 0 384.444 1.421 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821350738 607061206 /nfs/dbraw/zinc/06/12/06/607061206.db2.gz CGQZODPRRYVGSK-INIZCTEOSA-N 1 0 390.488 1.497 20 0 GDADRO Cc1c(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)cnn1C ZINC000822027802 607102878 /nfs/dbraw/zinc/10/28/78/607102878.db2.gz JLAHDGFRTFXMAW-UHFFFAOYSA-N 1 0 380.456 1.759 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000821625570 607105207 /nfs/dbraw/zinc/10/52/07/607105207.db2.gz QTJGSHXRBQULRD-NXHRZFHOSA-N 1 0 381.484 1.388 20 0 GDADRO O=C1[C@H]([N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504388 607107792 /nfs/dbraw/zinc/10/77/92/607107792.db2.gz PQNKCFTUZCBADH-VPWXQRGCSA-N 1 0 382.468 1.599 20 0 GDADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000823078980 607177908 /nfs/dbraw/zinc/17/79/08/607177908.db2.gz ZXDVEBRUSWDCDA-ZWKOTPCHSA-N 1 0 384.484 1.293 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1sccc1-c1nn[nH]n1 ZINC000823149825 607178102 /nfs/dbraw/zinc/17/81/02/607178102.db2.gz HMDCXNFFXJPNFI-UONOGXRCSA-N 1 0 376.486 1.426 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC[N@@H+]1C ZINC000820657454 607182295 /nfs/dbraw/zinc/18/22/95/607182295.db2.gz LHFZLXDQXKZRKQ-MWLCHTKSSA-N 1 0 377.836 1.058 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC[N@@H+]1C ZINC000820657453 607182536 /nfs/dbraw/zinc/18/25/36/607182536.db2.gz LHFZLXDQXKZRKQ-KOLCDFICSA-N 1 0 377.836 1.058 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821182495 607183304 /nfs/dbraw/zinc/18/33/04/607183304.db2.gz VIEVQNGBDNCUNY-LBPRGKRZSA-N 1 0 391.863 1.401 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821623554 607251289 /nfs/dbraw/zinc/25/12/89/607251289.db2.gz NEJAIMORACMPCD-QRQLOZEOSA-N 1 0 395.511 1.778 20 0 GDADRO c1cn(C[C@H]2CCC[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)nn1 ZINC000826524641 607784381 /nfs/dbraw/zinc/78/43/81/607784381.db2.gz DAIQADUHMSLBJO-HNNXBMFYSA-N 1 0 390.455 1.691 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCN1c1sccc1-c1nn[nH]n1 ZINC000826476571 607818296 /nfs/dbraw/zinc/81/82/96/607818296.db2.gz KNVJAWOURFGRQS-IGHBBLSQSA-N 1 0 386.481 1.581 20 0 GDADRO CC(C)[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CCOCC1 ZINC000824288917 607829393 /nfs/dbraw/zinc/82/93/93/607829393.db2.gz PUGIVHJRAFWMAS-UHFFFAOYSA-N 1 0 379.486 1.530 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000825453693 607829650 /nfs/dbraw/zinc/82/96/50/607829650.db2.gz WMHPDRNOBHAYIT-WMLDXEAASA-N 1 0 392.529 1.303 20 0 GDADRO O=C1[C@H]([N@@H+]2CC[C@@H](C3CCOCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000826477211 607859246 /nfs/dbraw/zinc/85/92/46/607859246.db2.gz XUVCXYKZWADLIC-UKRRQHHQSA-N 1 0 388.497 1.782 20 0 GDADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@@H]1CCC[C@H]1O ZINC000825914563 607859561 /nfs/dbraw/zinc/85/95/61/607859561.db2.gz KASDEBQROJLQTB-WCQYABFASA-N 1 0 390.513 1.838 20 0 GDADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCOCC1 ZINC000824040212 607881194 /nfs/dbraw/zinc/88/11/94/607881194.db2.gz NDDASYFUJHJPGZ-MRXNPFEDSA-N 1 0 398.511 1.964 20 0 GDADRO Cn1ccnc1[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000826363884 607889546 /nfs/dbraw/zinc/88/95/46/607889546.db2.gz DZOATUUFGNZBCI-MRXNPFEDSA-N 1 0 375.440 1.911 20 0 GDADRO C[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000824619246 607908943 /nfs/dbraw/zinc/90/89/43/607908943.db2.gz VRILFDIJAZXFIM-ZDUSSCGKSA-N 1 0 386.481 1.968 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC000825210454 607909986 /nfs/dbraw/zinc/90/99/86/607909986.db2.gz HGBAWOLDTHDWCN-PBHICJAKSA-N 1 0 392.529 1.795 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000826277002 607928770 /nfs/dbraw/zinc/92/87/70/607928770.db2.gz FTRBGQVJRNDHMA-MRXNPFEDSA-N 1 0 397.483 1.304 20 0 GDADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000826090775 607986463 /nfs/dbraw/zinc/98/64/63/607986463.db2.gz OKOOEUGZJWSFRG-LLVKDONJSA-N 1 0 390.444 1.765 20 0 GDADRO C[N@@H+]1CC[C@H](NC(=O)COc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826029658 608007016 /nfs/dbraw/zinc/00/70/16/608007016.db2.gz VFQGSAKAQDUPFV-PKOBYXMFSA-N 1 0 378.436 1.807 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccccc2F)c1-c1nn[nH]n1 ZINC000826073504 608019313 /nfs/dbraw/zinc/01/93/13/608019313.db2.gz VFKSKQVUEIZLPJ-JTQLQIEISA-N 1 0 388.407 1.287 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cccc(OC)c3o2)c1-c1nn[nH]n1 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/nfs/dbraw/zinc/30/99/00/608309900.db2.gz PBEGBNODLPEUIK-MRXNPFEDSA-N 1 0 394.483 1.709 20 0 GDADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826224229 608311802 /nfs/dbraw/zinc/31/18/02/608311802.db2.gz VGRADFPBTNJBBN-UHFFFAOYSA-N 1 0 388.453 1.407 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000826277390 608316783 /nfs/dbraw/zinc/31/67/83/608316783.db2.gz SIVCPTLGCIFUFE-UHFFFAOYSA-N 1 0 399.499 1.694 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826504349 608326849 /nfs/dbraw/zinc/32/68/49/608326849.db2.gz UKMHGSFIBAQHSQ-JZXOWHBKSA-N 1 0 387.484 1.745 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826033932 608333603 /nfs/dbraw/zinc/33/36/03/608333603.db2.gz LIMLAEYTHGJOAI-JKSUJKDBSA-N 1 0 394.476 1.394 20 0 GDADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000825860341 608342289 /nfs/dbraw/zinc/34/22/89/608342289.db2.gz QHNLQTLAQPAFOO-UHFFFAOYSA-N 1 0 379.490 1.004 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000826169230 608359477 /nfs/dbraw/zinc/35/94/77/608359477.db2.gz LWFDOHCYHNSMRY-UHFFFAOYSA-N 1 0 382.472 1.317 20 0 GDADRO COc1ccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1-c1nn[nH]n1 ZINC000826202087 608363179 /nfs/dbraw/zinc/36/31/79/608363179.db2.gz NRMNTETZKYGVOM-LLVKDONJSA-N 1 0 388.453 1.374 20 0 GDADRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826189436 608431820 /nfs/dbraw/zinc/43/18/20/608431820.db2.gz VQABZNNMMHSFPX-QGZVFWFLSA-N 1 0 382.424 1.527 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562508 608459472 /nfs/dbraw/zinc/45/94/72/608459472.db2.gz GTFKLMDKIFJXLN-JTQLQIEISA-N 1 0 378.396 1.738 20 0 GDADRO C[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)CC1CCOCC1 ZINC000825892183 608459916 /nfs/dbraw/zinc/45/99/16/608459916.db2.gz HLDATONBNURZKH-UHFFFAOYSA-N 1 0 396.455 1.349 20 0 GDADRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826134137 608461466 /nfs/dbraw/zinc/46/14/66/608461466.db2.gz SQSXDMQRLGOTHX-CHWSQXEVSA-N 1 0 386.456 1.317 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824569012 608480458 /nfs/dbraw/zinc/48/04/58/608480458.db2.gz FRDFZJQKQRPXME-SWLSCSKDSA-N 1 0 392.419 1.174 20 0 GDADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824478183 608490644 /nfs/dbraw/zinc/49/06/44/608490644.db2.gz FQTCFJDLODXYKM-KGLIPLIRSA-N 1 0 385.472 1.035 20 0 GDADRO CN(C)c1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000825879367 608502313 /nfs/dbraw/zinc/50/23/13/608502313.db2.gz LQZSZHQPHDEHNZ-UHFFFAOYSA-N 1 0 378.484 1.646 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824094469 608504948 /nfs/dbraw/zinc/50/49/48/608504948.db2.gz WFOILARGDNGMDF-OAHLLOKOSA-N 1 0 378.502 1.552 20 0 GDADRO 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C[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1cccc(S(N)(=O)=O)c1 ZINC000824618951 608576319 /nfs/dbraw/zinc/57/63/19/608576319.db2.gz SNADASXVZPBIHP-SNVBAGLBSA-N 1 0 376.417 1.504 20 0 GDADRO CCC[C@@H](C(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1)[NH+](C)C ZINC000825224910 608605173 /nfs/dbraw/zinc/60/51/73/608605173.db2.gz GRHCJANIPPPRTD-GPANFISMSA-N 1 0 387.488 1.798 20 0 GDADRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@H](C)O1 ZINC000824984664 608636114 /nfs/dbraw/zinc/63/61/14/608636114.db2.gz LVZIKQOIXSFBMS-HLLBOEOZSA-N 1 0 396.499 1.588 20 0 GDADRO COCC[N@H+](CCO)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826158194 608675339 /nfs/dbraw/zinc/67/53/39/608675339.db2.gz FFLYUWFJCPIOAZ-UHFFFAOYSA-N 1 0 383.452 1.886 20 0 GDADRO CN(c1cccnn1)C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826010838 608683416 /nfs/dbraw/zinc/68/34/16/608683416.db2.gz PQUVLACHPPPAQT-UHFFFAOYSA-N 1 0 390.455 1.405 20 0 GDADRO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)C2)cc1 ZINC000826521175 608873322 /nfs/dbraw/zinc/87/33/22/608873322.db2.gz CGXXASKUMXFCRN-LJQANCHMSA-N 1 0 390.495 1.658 20 0 GDADRO COCc1nc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)no1 ZINC000826165719 609137484 /nfs/dbraw/zinc/13/74/84/609137484.db2.gz HJJJAKXVDUJWFN-UHFFFAOYSA-N 1 0 384.444 1.104 20 0 GDADRO C[C@H](O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000824689245 609146289 /nfs/dbraw/zinc/14/62/89/609146289.db2.gz JZVAUWRNEHXUHA-RYUDHWBXSA-N 1 0 390.513 1.838 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546373 609151146 /nfs/dbraw/zinc/15/11/46/609151146.db2.gz IEYLEWDYRPVYJY-ABAIWWIYSA-N 1 0 384.419 1.586 20 0 GDADRO Cc1cc(C(=O)NCC[N@@H+](C)C2CCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259025 609153878 /nfs/dbraw/zinc/15/38/78/609153878.db2.gz FDCULJOSJMCSRW-UHFFFAOYSA-N 1 0 394.483 1.965 20 0 GDADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824976065 609169369 /nfs/dbraw/zinc/16/93/69/609169369.db2.gz MMHSMXIVTXCTQS-XWIAVFTESA-N 1 0 381.484 1.434 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824270840 609187440 /nfs/dbraw/zinc/18/74/40/609187440.db2.gz HTCPOEHWGMHEHU-UHFFFAOYSA-N 1 0 384.531 1.468 20 0 GDADRO C[C@@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000824422438 609194303 /nfs/dbraw/zinc/19/43/03/609194303.db2.gz ZWEZETWGWSTDRQ-LIRRHRJNSA-N 1 0 392.463 1.463 20 0 GDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826192337 609196257 /nfs/dbraw/zinc/19/62/57/609196257.db2.gz JQWDZGQJZAEJOM-QGZVFWFLSA-N 1 0 382.424 1.609 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826431886 609201214 /nfs/dbraw/zinc/20/12/14/609201214.db2.gz NAMCYNOOFJQRMC-GOSISDBHSA-N 1 0 393.451 1.076 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C(=O)N1c1cnn(C)c1 ZINC000824893419 609240639 /nfs/dbraw/zinc/24/06/39/609240639.db2.gz QRKWOJVVVSCZNB-OCBCSQNSSA-N 1 0 392.467 1.761 20 0 GDADRO CCC[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[NH+](C)C ZINC000825225165 609264928 /nfs/dbraw/zinc/26/49/28/609264928.db2.gz NALXWPKEGNDAMZ-HOTGVXAUSA-N 1 0 385.472 1.209 20 0 GDADRO O=C(CC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407234 609281836 /nfs/dbraw/zinc/28/18/36/609281836.db2.gz GGOSIJODXVEVRD-HXUWFJFHSA-N 1 0 396.426 1.928 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000826504362 609282663 /nfs/dbraw/zinc/28/26/63/609282663.db2.gz UPBDTSHVHZYOMM-XLIONFOSSA-N 1 0 399.426 1.339 20 0 GDADRO Cc1noc(C2(C)CC[NH+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000826339620 609297911 /nfs/dbraw/zinc/29/79/11/609297911.db2.gz LWXBUQDAKVZWHH-UHFFFAOYSA-N 1 0 396.455 1.940 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824640464 609317525 /nfs/dbraw/zinc/31/75/25/609317525.db2.gz JEFCJAFEXWGJLK-UKRRQHHQSA-N 1 0 390.513 1.798 20 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609424573 /nfs/dbraw/zinc/42/45/73/609424573.db2.gz QEBXFHUGYKDBMT-CYBMUJFWSA-N 1 0 388.453 1.589 20 0 GDADRO C[C@H](NC(=O)c1cc(-c2nn[nH]n2)cn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824515936 609448340 /nfs/dbraw/zinc/44/83/40/609448340.db2.gz UNQOCSVINQARLK-GOEBONIOSA-N 1 0 379.468 1.846 20 0 GDADRO COCCCOCC[N@H+](C)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826156995 609491311 /nfs/dbraw/zinc/49/13/11/609491311.db2.gz CWULERXVJKZSRB-UHFFFAOYSA-N 1 0 385.472 1.752 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2ncc(Cl)c(C)c2-c2nn[nH]n2)CC1 ZINC000825413237 609548709 /nfs/dbraw/zinc/54/87/09/609548709.db2.gz YXNYUZTYNSENTG-UHFFFAOYSA-N 1 0 392.895 1.214 20 0 GDADRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000531940968 650002362 /nfs/dbraw/zinc/00/23/62/650002362.db2.gz IVRXNSHHGPKNER-CQSZACIVSA-N 1 0 376.544 1.920 20 0 GDADRO CCCCS(=O)(=O)NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000534116821 650218098 /nfs/dbraw/zinc/21/80/98/650218098.db2.gz RYIILTWLKYFYTI-UHFFFAOYSA-N 1 0 385.555 1.893 20 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/nfs/dbraw/zinc/31/58/48/650315848.db2.gz MWGBJNOGWIMUCB-UHFFFAOYSA-N 1 0 376.238 1.908 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCSCC(F)(F)F)CC1 ZINC000538810569 650322957 /nfs/dbraw/zinc/32/29/57/650322957.db2.gz TZUZXVGMXUIHFY-LBPRGKRZSA-N 1 0 382.452 1.230 20 0 GDADRO CN(CC[NH2+]C1CCN(c2cnccn2)CC1)S(=O)(=O)c1cccs1 ZINC000539048485 650327595 /nfs/dbraw/zinc/32/75/95/650327595.db2.gz MELZCVBULGIFAX-UHFFFAOYSA-N 1 0 381.527 1.417 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000539052668 650327665 /nfs/dbraw/zinc/32/76/65/650327665.db2.gz LGQPQWLCXZTRBD-WCQYABFASA-N 1 0 390.889 1.469 20 0 GDADRO CS[C@H]1CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C[C@H]1[NH+](C)C ZINC000539477325 650335437 /nfs/dbraw/zinc/33/54/37/650335437.db2.gz AFJBVXAMJUCXTN-CABCVRRESA-N 1 0 389.518 1.145 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000541034561 650376598 /nfs/dbraw/zinc/37/65/98/650376598.db2.gz CPEJNCYICLALKZ-XJKSGUPXSA-N 1 0 399.333 1.418 20 0 GDADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000541828948 650393396 /nfs/dbraw/zinc/39/33/96/650393396.db2.gz MKVAURQZDFZMMW-UHFFFAOYSA-N 1 0 392.905 1.748 20 0 GDADRO C[NH+]1CCC(C)(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000541886815 650395408 /nfs/dbraw/zinc/39/54/08/650395408.db2.gz BIOULRUWHSAOCJ-UHFFFAOYSA-N 1 0 387.933 1.857 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000546570728 650479280 /nfs/dbraw/zinc/47/92/80/650479280.db2.gz FMJUEWDIPFYMLU-MRXNPFEDSA-N 1 0 379.258 1.431 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000546583203 650479819 /nfs/dbraw/zinc/47/98/19/650479819.db2.gz NZKRQTJQSUPHRB-AWEZNQCLSA-N 1 0 390.665 1.224 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000546583204 650479866 /nfs/dbraw/zinc/47/98/66/650479866.db2.gz NZKRQTJQSUPHRB-CQSZACIVSA-N 1 0 390.665 1.224 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)nc12 ZINC000546590560 650480174 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C[NH+](C)CCCN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000552342185 650623809 /nfs/dbraw/zinc/62/38/09/650623809.db2.gz GAXUYULYQZEGHL-RDBSUJKOSA-N 1 0 384.464 1.932 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(Cl)cc2Cl)CC1=O ZINC000552359916 650624085 /nfs/dbraw/zinc/62/40/85/650624085.db2.gz ZZKVOZLGLUWMHL-ZDUSSCGKSA-N 1 0 388.295 1.902 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000552428764 650626291 /nfs/dbraw/zinc/62/62/91/650626291.db2.gz SRDXNBSDZUBYIC-RISCZKNCSA-N 1 0 398.301 1.673 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2nc(C)sc2Br)CC1 ZINC000553314690 650642659 /nfs/dbraw/zinc/64/26/59/650642659.db2.gz UNXZSUAGHBSQAN-UHFFFAOYSA-N 1 0 375.336 1.971 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)C2)C1 ZINC000554142697 650669208 /nfs/dbraw/zinc/66/92/08/650669208.db2.gz YRBKJDGJFHGGKH-CQSZACIVSA-N 1 0 377.919 1.234 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000554725741 650680772 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GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000565481149 650798664 /nfs/dbraw/zinc/79/86/64/650798664.db2.gz OWFBHRJRGWIHFB-NXEZZACHSA-N 1 0 381.292 1.488 20 0 GDADRO O=C(Cn1nnnc1-c1ccsc1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000565775653 650813033 /nfs/dbraw/zinc/81/30/33/650813033.db2.gz KTBJUSSGRVABDL-UHFFFAOYSA-N 1 0 375.483 1.964 20 0 GDADRO C[C@H](CNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)C[NH+]1CCCCC1 ZINC000565882213 650819172 /nfs/dbraw/zinc/81/91/72/650819172.db2.gz YCANVVFFVKZYHV-GFCCVEGCSA-N 1 0 386.543 1.858 20 0 GDADRO COC[C@@](C)(O)CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000566121694 650828980 /nfs/dbraw/zinc/82/89/80/650828980.db2.gz NDNNLLCEXSYZFC-HIFRSBDPSA-N 1 0 380.254 1.705 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)cc1Br ZINC000566203641 650834616 /nfs/dbraw/zinc/83/46/16/650834616.db2.gz VKKUCSMZDBOQJA-CYBMUJFWSA-N 1 0 382.302 1.993 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000566211602 650834796 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CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=S)NCC[NH+](C)C)c1 ZINC000007519939 644210567 /nfs/dbraw/zinc/21/05/67/644210567.db2.gz OJHICRZMYIMZLO-UHFFFAOYSA-N 1 0 388.559 1.574 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000567351551 650900896 /nfs/dbraw/zinc/90/08/96/650900896.db2.gz VAUWZPNKHPJDFB-ZDUSSCGKSA-N 1 0 375.441 1.490 20 0 GDADRO O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000567472401 650906626 /nfs/dbraw/zinc/90/66/26/650906626.db2.gz UBRMTLKCKIVDEE-ZDUSSCGKSA-N 1 0 378.782 1.674 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229170 644330913 /nfs/dbraw/zinc/33/09/13/644330913.db2.gz LZPOGAGAQDHZJL-ZFWWWQNUSA-N 1 0 386.949 1.778 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC(C)(C)c1ccccc1Br ZINC000567614551 650910766 /nfs/dbraw/zinc/91/07/66/650910766.db2.gz ZAVUKPMRUNBQJL-HNNXBMFYSA-N 1 0 384.318 1.942 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)CCn2cc(Br)ccc2=O)CC12CCOCC2 ZINC000567733317 650917283 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20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000567912781 650929115 /nfs/dbraw/zinc/92/91/15/650929115.db2.gz UZJDICHKHPYSBV-NSHDSACASA-N 1 0 377.557 1.343 20 0 GDADRO CC[N@H+](CCNC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(C)C ZINC000102480397 644598701 /nfs/dbraw/zinc/59/87/01/644598701.db2.gz IZLVEXPTWMHKRO-UHFFFAOYSA-N 1 0 392.319 1.557 20 0 GDADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1c(F)cc(Br)cc1F ZINC000568212532 650940975 /nfs/dbraw/zinc/94/09/75/650940975.db2.gz BRRZMFKOOBGZCZ-OAHLLOKOSA-N 1 0 375.213 1.914 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2sccc2S(=O)(=O)C(F)F)CCOCC1 ZINC000114055340 644640653 /nfs/dbraw/zinc/64/06/53/644640653.db2.gz VJLGROGPOWJFNB-UHFFFAOYSA-N 1 0 382.454 1.585 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000118342511 644652758 /nfs/dbraw/zinc/65/27/58/644652758.db2.gz WMIDWGJOOBAYGT-CYBMUJFWSA-N 1 0 387.933 1.499 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[NH2+]C2)ccc1Br ZINC000120164422 644667033 /nfs/dbraw/zinc/66/70/33/644667033.db2.gz KQTQLTBRABXOMV-NSHDSACASA-N 1 0 390.303 1.181 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000568231411 650942331 /nfs/dbraw/zinc/94/23/31/650942331.db2.gz UAKRZLRJAGHGRJ-UHFFFAOYSA-N 1 0 389.315 1.541 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000122369119 644687627 /nfs/dbraw/zinc/68/76/27/644687627.db2.gz QORJFDYJROHNBL-JTQLQIEISA-N 1 0 377.260 1.348 20 0 GDADRO C[NH+](C)CCCN(C(=O)/C=C/c1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000122592647 644689366 /nfs/dbraw/zinc/68/93/66/644689366.db2.gz GKQWZFLRBVTZAY-ZKKXHLJNSA-N 1 0 385.917 1.716 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C2)c(F)cc1Br ZINC000123125398 644693544 /nfs/dbraw/zinc/69/35/44/644693544.db2.gz LZPKUGRFXONNOO-ZETCQYMHSA-N 1 0 381.223 1.015 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)ccc1Br ZINC000124207444 644705010 /nfs/dbraw/zinc/70/50/10/644705010.db2.gz WEVCXBSTNJNTDZ-SNVBAGLBSA-N 1 0 393.303 1.887 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)nc1Cl ZINC000124423943 644707435 /nfs/dbraw/zinc/70/74/35/644707435.db2.gz CJZNNZYFEMDFHQ-UHFFFAOYSA-N 1 0 376.910 1.339 20 0 GDADRO Cn1cnc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1Cl ZINC000127522464 644727036 /nfs/dbraw/zinc/72/70/36/644727036.db2.gz CRXOHWPRUNBFLP-CHWSQXEVSA-N 1 0 376.910 1.120 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000130688265 644740448 /nfs/dbraw/zinc/74/04/48/644740448.db2.gz KTALWUQEOXAXBS-UHFFFAOYSA-N 1 0 382.935 1.754 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000133779522 644756067 /nfs/dbraw/zinc/75/60/67/644756067.db2.gz KNDPOXPUTAIVKE-AWEZNQCLSA-N 1 0 389.315 1.574 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000568268984 650949752 /nfs/dbraw/zinc/94/97/52/650949752.db2.gz ROGOHVMJNCPTMJ-AWEZNQCLSA-N 1 0 382.404 1.761 20 0 GDADRO CC[NH2+]CCNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000151397817 644780385 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C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000419181913 645914021 /nfs/dbraw/zinc/91/40/21/645914021.db2.gz BRINPUIYQAOYBT-OCCSQVGLSA-N 1 0 382.302 1.551 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000419388692 645915189 /nfs/dbraw/zinc/91/51/89/645915189.db2.gz BUJDBROFCPQGRC-VIFPVBQESA-N 1 0 396.245 1.012 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419399563 645915686 /nfs/dbraw/zinc/91/56/86/645915686.db2.gz IUPGGCMOMIRVTD-LLVKDONJSA-N 1 0 377.272 1.373 20 0 GDADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(O)c(Br)c1 ZINC000419416508 645916799 /nfs/dbraw/zinc/91/67/99/645916799.db2.gz WKGGAUZTFKGBDQ-CQSZACIVSA-N 1 0 398.301 1.665 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000419434840 645917299 /nfs/dbraw/zinc/91/72/99/645917299.db2.gz BVIBCPXJOUSJIJ-QMMMGPOBSA-N 1 0 394.216 1.378 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000419437976 645917677 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[NH3+]C1(CNC(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)CCCCC1 ZINC000419646875 645926897 /nfs/dbraw/zinc/92/68/97/645926897.db2.gz QPGJPNKFEKHOIP-UHFFFAOYSA-N 1 0 378.420 1.598 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2OC)C1 ZINC000419769408 645931387 /nfs/dbraw/zinc/93/13/87/645931387.db2.gz CINOQGIWDKJGSY-VXGBXAGGSA-N 1 0 398.301 1.703 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419875864 645933159 /nfs/dbraw/zinc/93/31/59/645933159.db2.gz OWQUKFKGERMKMX-UHFFFAOYSA-N 1 0 382.302 1.913 20 0 GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420062405 645934214 /nfs/dbraw/zinc/93/42/14/645934214.db2.gz MJGXSNAPEDINBI-BBRMVZONSA-N 1 0 394.313 1.966 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)C1CC1 ZINC000420057951 645934356 /nfs/dbraw/zinc/93/43/56/645934356.db2.gz IFTOJPRSRJZZOX-GJZGRUSLSA-N 1 0 396.285 1.203 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)CC2 ZINC000420072675 645935302 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GDADRO CCOc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)cc1Br ZINC000420474039 645943890 /nfs/dbraw/zinc/94/38/90/645943890.db2.gz DXJRNHAEJUJPTH-JTQLQIEISA-N 1 0 379.276 1.115 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420473570 645943895 /nfs/dbraw/zinc/94/38/95/645943895.db2.gz DLVRJHXWWBHACE-DZGCQCFKSA-N 1 0 388.511 1.442 20 0 GDADRO CNC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000420978538 645977225 /nfs/dbraw/zinc/97/72/25/645977225.db2.gz RUHTUWDYFFTHPB-JTQLQIEISA-N 1 0 387.221 1.298 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421170311 645988166 /nfs/dbraw/zinc/98/81/66/645988166.db2.gz FXQOZNLFUMOLNE-UHFFFAOYSA-N 1 0 398.301 1.423 20 0 GDADRO NC(=O)CC1(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000421871117 646023393 /nfs/dbraw/zinc/02/33/93/646023393.db2.gz FTJQANBFTBTNBN-LBPRGKRZSA-N 1 0 387.299 1.913 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)c1csnn1 ZINC000422110014 646041047 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GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000423242104 646121875 /nfs/dbraw/zinc/12/18/75/646121875.db2.gz YLBNHIIKICRQLY-CQSZACIVSA-N 1 0 398.301 1.799 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423241538 646121944 /nfs/dbraw/zinc/12/19/44/646121944.db2.gz YEGTWVHBUARIOR-NHYWBVRUSA-N 1 0 398.276 1.757 20 0 GDADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423243212 646121960 /nfs/dbraw/zinc/12/19/60/646121960.db2.gz ZQDRQRYVYCYLFE-AWEZNQCLSA-N 1 0 396.285 1.553 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423251131 646122580 /nfs/dbraw/zinc/12/25/80/646122580.db2.gz WEJPIFKFZBBWJT-OAHLLOKOSA-N 1 0 398.301 1.026 20 0 GDADRO C[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423406481 646124492 /nfs/dbraw/zinc/12/44/92/646124492.db2.gz USKAQEPRNLDCAT-OUJBWJOFSA-N 1 0 376.320 1.745 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000423514440 646125797 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646156099 /nfs/dbraw/zinc/15/60/99/646156099.db2.gz VQJIXZZNTHRLEA-UHFFFAOYSA-N 1 0 387.933 1.809 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000424052307 646156603 /nfs/dbraw/zinc/15/66/03/646156603.db2.gz BFAZPRHDIYKMAA-UHFFFAOYSA-N 1 0 383.392 1.107 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000424062737 646158233 /nfs/dbraw/zinc/15/82/33/646158233.db2.gz TUPLAMVPNBGDQV-UHFFFAOYSA-N 1 0 377.666 1.794 20 0 GDADRO CN1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1=O ZINC000424190240 646161292 /nfs/dbraw/zinc/16/12/92/646161292.db2.gz PDKVHUOMODKMSY-NSHDSACASA-N 1 0 390.303 1.055 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424221208 646165332 /nfs/dbraw/zinc/16/53/32/646165332.db2.gz BHRKFHPOFIRTDK-LSDHHAIUSA-N 1 0 393.285 1.687 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)Cc3ccc(F)c(Br)c3)C[C@H]2[NH3+])cn1 ZINC000424225430 646166656 /nfs/dbraw/zinc/16/66/56/646166656.db2.gz MLMWUQSYRYYDRR-SWLSCSKDSA-N 1 0 381.249 1.818 20 0 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CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000903478514 659316788 /nfs/dbraw/zinc/31/67/88/659316788.db2.gz LJEPAHHDSGRCPO-GRYCIOLGSA-N 1 0 376.320 1.906 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCS[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000918907203 660242635 /nfs/dbraw/zinc/24/26/35/660242635.db2.gz WKDATVSIOPEZTJ-GXTWGEPZSA-N 1 0 380.480 1.844 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000918947590 660243291 /nfs/dbraw/zinc/24/32/91/660243291.db2.gz OPRKHHLWEXXOPY-AWEZNQCLSA-N 1 0 384.395 1.922 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCS[C@H](C(F)(F)F)C2)C1 ZINC000919517065 660253416 /nfs/dbraw/zinc/25/34/16/660253416.db2.gz HNBRYAMPCWVWIV-RYUDHWBXSA-N 1 0 382.452 1.263 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1cnccc1C(F)(F)F ZINC000442746943 647161390 /nfs/dbraw/zinc/16/13/90/647161390.db2.gz VBOPGTUYSLHKGY-LBPRGKRZSA-N 1 0 381.420 1.616 20 0 GDADRO C[N@@H+]1CCN(CCNC(=O)c2c(Cl)cccc2S(C)(=O)=O)CC1(C)C ZINC000442969620 647166191 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C[NH+](C)C1(CNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CCC1 ZINC000445873339 647274879 /nfs/dbraw/zinc/27/48/79/647274879.db2.gz DVRHOTSGYQOCEI-UHFFFAOYSA-N 1 0 388.921 1.402 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446230567 647283385 /nfs/dbraw/zinc/28/33/85/647283385.db2.gz BRUFVMMETFYCNI-WBMJQRKESA-N 1 0 384.274 1.304 20 0 GDADRO O=C(COc1ccc(F)cc1Br)NC[C@H]1CCC[N@H+]1CCCO ZINC000452344857 647321190 /nfs/dbraw/zinc/32/11/90/647321190.db2.gz DCMIJJROYIKSDX-CYBMUJFWSA-N 1 0 389.265 1.930 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453659818 647326195 /nfs/dbraw/zinc/32/61/95/647326195.db2.gz VXUJYTDVOIJBQL-ZDUSSCGKSA-N 1 0 399.289 1.318 20 0 GDADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNS(=O)(=O)CCC[NH+](C)C ZINC000920674759 660274553 /nfs/dbraw/zinc/27/45/53/660274553.db2.gz JFUGMQGZTXUEPN-HUUCEWRRSA-N 1 0 377.551 1.751 20 0 GDADRO Cc1cc(C(F)(F)F)nn1CCNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000920860946 660276959 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C[NH+](C)CC(C)(C)NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000457212621 647416036 /nfs/dbraw/zinc/41/60/36/647416036.db2.gz UBGUKIXKRBZQTO-UHFFFAOYSA-N 1 0 391.331 1.820 20 0 GDADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000457385587 647418881 /nfs/dbraw/zinc/41/88/81/647418881.db2.gz VACGOUSUAWHBQV-NOZJJQNGSA-N 1 0 380.242 1.383 20 0 GDADRO C[NH+](C)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1 ZINC000921234974 660284498 /nfs/dbraw/zinc/28/44/98/660284498.db2.gz TYOQVTRTFIFMHG-ZGUWOUCSSA-N 1 0 386.539 1.428 20 0 GDADRO C[NH+](C)CCNC(=S)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000921269658 660285319 /nfs/dbraw/zinc/28/53/19/660285319.db2.gz ADOWXHNIRYRDRW-UHFFFAOYSA-N 1 0 380.949 1.541 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000458560369 647442576 /nfs/dbraw/zinc/44/25/76/647442576.db2.gz AQWFSQJBUBWPBG-CQSZACIVSA-N 1 0 388.559 1.366 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)NCc2cc(N(C)C)cc[nH+]2)s1 ZINC000921026188 660280143 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GDADRO O=S(=O)(CC[NH2+]C1CCN(CCC(F)(F)F)CC1)N1CCSCC1 ZINC000463148123 647551481 /nfs/dbraw/zinc/55/14/81/647551481.db2.gz FZVZAXRTJJZFID-UHFFFAOYSA-N 1 0 389.509 1.371 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1OCCCO)C(=O)NC(N)=O ZINC000463365559 647558153 /nfs/dbraw/zinc/55/81/53/647558153.db2.gz HSJVNHOUTAZKIH-UWVGGRQHSA-N 1 0 388.262 1.444 20 0 GDADRO COC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000463371095 647558315 /nfs/dbraw/zinc/55/83/15/647558315.db2.gz VINXFSYFPUQMDL-BZNIZROVSA-N 1 0 390.274 1.785 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)CCCN1CCOCC1 ZINC000463850981 647567202 /nfs/dbraw/zinc/56/72/02/647567202.db2.gz ZEVFGGDFWSQOPO-ZWKOTPCHSA-N 1 0 375.579 1.529 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)CSc2nnnn2CC(F)(F)F)C1 ZINC000464652529 647586170 /nfs/dbraw/zinc/58/61/70/647586170.db2.gz ZGEBMJWLBFCPKF-LLVKDONJSA-N 1 0 380.440 1.518 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)CC)C1 ZINC000464674354 647586229 /nfs/dbraw/zinc/58/62/29/647586229.db2.gz ZKSNCWWISCSHLS-LSDHHAIUSA-N 1 0 379.592 1.238 20 0 GDADRO NC(=O)c1cccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000466382706 647612557 /nfs/dbraw/zinc/61/25/57/647612557.db2.gz YPIMOMIDJQMAHX-UHFFFAOYSA-N 1 0 381.885 1.897 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000467409521 647642872 /nfs/dbraw/zinc/64/28/72/647642872.db2.gz YANHVJUQWKZVFX-LBPRGKRZSA-N 1 0 382.935 1.421 20 0 GDADRO NC(=O)C1CC[NH+](C[C@H](NCC(F)(F)CO)c2ccc(Cl)cc2)CC1 ZINC000468042330 647656131 /nfs/dbraw/zinc/65/61/31/647656131.db2.gz LHQMDZPGLFCUEZ-HNNXBMFYSA-N 1 0 375.847 1.796 20 0 GDADRO CCc1n[nH]c(C(=O)NCCCC[NH+]2CCN(CC)CC2)c1Br ZINC000468255408 647660623 /nfs/dbraw/zinc/66/06/23/647660623.db2.gz ZHBPDBSEMDCFPP-UHFFFAOYSA-N 1 0 386.338 1.882 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](C)CN1CCOCC1 ZINC000921531318 660307528 /nfs/dbraw/zinc/30/75/28/660307528.db2.gz GMDBENRVUAHJHB-TZMCWYRMSA-N 1 0 390.937 1.015 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2c(C)csc2C(=O)OC)CC1 ZINC000469349281 647706981 /nfs/dbraw/zinc/70/69/81/647706981.db2.gz ZYMRSIBHIOOBND-CYBMUJFWSA-N 1 0 389.543 1.147 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CCO1 ZINC000469434443 647711163 /nfs/dbraw/zinc/71/11/63/647711163.db2.gz PPWHYYIMPRHMSI-OCCSQVGLSA-N 1 0 396.285 1.664 20 0 GDADRO CC(C)[NH+]1CCN(CCCSc2nnc(SCC(N)=O)s2)CC1 ZINC000470446915 647726608 /nfs/dbraw/zinc/72/66/08/647726608.db2.gz WDJKGPUAVNUQTE-UHFFFAOYSA-N 1 0 375.589 1.624 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C[NH+](C)C ZINC000921634793 660317284 /nfs/dbraw/zinc/31/72/84/660317284.db2.gz KCCRGBCDTRMAQJ-NSHDSACASA-N 1 0 395.884 1.683 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000477191943 647797731 /nfs/dbraw/zinc/79/77/31/647797731.db2.gz UBYPHBPZCNRPEA-SECBINFHSA-N 1 0 378.292 1.167 20 0 GDADRO COc1ccc(C(=O)NCCNc2cc[nH+]cc2)cc1I ZINC000479332427 647828572 /nfs/dbraw/zinc/82/85/72/647828572.db2.gz BSVCIJRGEPJCHD-UHFFFAOYSA-N 1 0 397.216 1.959 20 0 GDADRO C[C@@H]([NH2+]CCc1ncn(C)n1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479415043 647831083 /nfs/dbraw/zinc/83/10/83/647831083.db2.gz XLZYWGQVTLZYTG-MRVPVSSYSA-N 1 0 378.285 1.663 20 0 GDADRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)C1 ZINC000479769913 647835877 /nfs/dbraw/zinc/83/58/77/647835877.db2.gz LDAGVJUKNUUSSK-KYZUINATSA-N 1 0 389.264 1.307 20 0 GDADRO CNC(=O)CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480174669 647840655 /nfs/dbraw/zinc/84/06/55/647840655.db2.gz TWHVGMUEFRLMSO-LBPRGKRZSA-N 1 0 375.288 1.783 20 0 GDADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000481188604 647871199 /nfs/dbraw/zinc/87/11/99/647871199.db2.gz JCQDPJGYTIAUTI-GDBMZVCRSA-N 1 0 377.576 1.134 20 0 GDADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000483484407 647903776 /nfs/dbraw/zinc/90/37/76/647903776.db2.gz QDQWOVUBHIKKFK-MRVPVSSYSA-N 1 0 378.654 1.080 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCn3cc(Br)ccc3=O)CC[C@H]21 ZINC000483593404 647905570 /nfs/dbraw/zinc/90/55/70/647905570.db2.gz BZFXKROHRBXZOK-UKRRQHHQSA-N 1 0 382.302 1.944 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000487913990 647955953 /nfs/dbraw/zinc/95/59/53/647955953.db2.gz KWPKLMDVXRPYOG-INIZCTEOSA-N 1 0 381.274 1.677 20 0 GDADRO CSCC[C@@H]([NH3+])C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000495499801 648013365 /nfs/dbraw/zinc/01/33/65/648013365.db2.gz ONNQUJXKNPXHMA-OAHLLOKOSA-N 1 0 385.555 1.558 20 0 GDADRO C[C@@H](Oc1ccccc1Br)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000495640070 648014355 /nfs/dbraw/zinc/01/43/55/648014355.db2.gz OQFDBFSMIKNWMM-GFCCVEGCSA-N 1 0 384.274 1.107 20 0 GDADRO CO[C@H](C)c1nc(CN2CCCN(C(=O)[C@H]([NH3+])CCSC)CC2)cs1 ZINC000497326504 648024099 /nfs/dbraw/zinc/02/40/99/648024099.db2.gz VKHREOMURDJLNW-UKRRQHHQSA-N 1 0 386.587 1.965 20 0 GDADRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 ZINC000497365532 648028009 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[NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccc(Br)cc3[nH]2)C1 ZINC000517953957 648582680 /nfs/dbraw/zinc/58/26/80/648582680.db2.gz UPCPEEQYHWRGBK-LBPRGKRZSA-N 1 0 393.285 1.858 20 0 GDADRO [NH3+]CCCCNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000518182542 648589608 /nfs/dbraw/zinc/58/96/08/648589608.db2.gz GEJXJICGYZNOML-UHFFFAOYSA-N 1 0 377.304 1.858 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(Br)cn2)CC1 ZINC000518295055 648592929 /nfs/dbraw/zinc/59/29/29/648592929.db2.gz OTJLHDLFDVWOKI-UHFFFAOYSA-N 1 0 383.290 1.517 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1OC ZINC000518769217 648609325 /nfs/dbraw/zinc/60/93/25/648609325.db2.gz HDRDRRBXFAQADB-WDEREUQCSA-N 1 0 390.889 1.802 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1F ZINC000519158065 648623225 /nfs/dbraw/zinc/62/32/25/648623225.db2.gz QXVCPPDMAWXXNJ-WCQYABFASA-N 1 0 377.507 1.079 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000519591497 648630453 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O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)NC[C@@H]1CCC[NH2+]1 ZINC000521986898 648666304 /nfs/dbraw/zinc/66/63/04/648666304.db2.gz TZVINGDHWCOYAA-VIFPVBQESA-N 1 0 376.770 1.953 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000522054045 648668515 /nfs/dbraw/zinc/66/85/15/648668515.db2.gz ZRWAWHCYKMPOBI-OAGGEKHMSA-N 1 0 381.318 1.850 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000522183798 648671957 /nfs/dbraw/zinc/67/19/57/648671957.db2.gz JYFOMDWRJRCXQR-UHFFFAOYSA-N 1 0 377.304 1.679 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NCC[N@H+](C)C2CC2)c1 ZINC000522969791 648680089 /nfs/dbraw/zinc/68/00/89/648680089.db2.gz DKAHSBPDHJUYQQ-UHFFFAOYSA-N 1 0 391.287 1.608 20 0 GDADRO O=S(=O)(c1ccc(Br)o1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528060438 648710290 /nfs/dbraw/zinc/71/02/90/648710290.db2.gz KJYIRLGQPUNVAU-GFCCVEGCSA-N 1 0 393.303 1.821 20 0 GDADRO CC(C)[N@H+]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000528820101 648729566 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GDADRO C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ncc(Br)cn1 ZINC000571716331 651081296 /nfs/dbraw/zinc/08/12/96/651081296.db2.gz JPTYTNDDEVYNJK-LBPRGKRZSA-N 1 0 399.337 1.625 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000571790732 651082626 /nfs/dbraw/zinc/08/26/26/651082626.db2.gz FMPCIPXPADFKQH-UHFFFAOYSA-N 1 0 378.441 1.859 20 0 GDADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CC1 ZINC000571931337 651087444 /nfs/dbraw/zinc/08/74/44/651087444.db2.gz SUIWKJLTFSLPML-UHFFFAOYSA-N 1 0 390.889 1.516 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCc2c1cccc2Br ZINC000572279417 651093692 /nfs/dbraw/zinc/09/36/92/651093692.db2.gz GDBOPMYRKHMLNB-CABCVRRESA-N 1 0 380.286 1.811 20 0 GDADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[NH+]1CC(C)C1 ZINC000572493826 651098724 /nfs/dbraw/zinc/09/87/24/651098724.db2.gz BLJAAGFEUDAEEO-AWEZNQCLSA-N 1 0 385.917 1.513 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000572525192 651099311 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Cc1ccc(CS(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000572763087 651105059 /nfs/dbraw/zinc/10/50/59/651105059.db2.gz ONBYGNJDOHPGHJ-AWEZNQCLSA-N 1 0 383.411 1.390 20 0 GDADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000572977027 651465059 /nfs/dbraw/zinc/46/50/59/651465059.db2.gz YEPKNTJQAGCHJP-ZDUSSCGKSA-N 1 0 393.289 1.923 20 0 GDADRO COCCN(C)C[C@@H](O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000573016322 651466039 /nfs/dbraw/zinc/46/60/39/651466039.db2.gz NUCAFWAUGANFGZ-OAHLLOKOSA-N 1 0 375.311 1.222 20 0 GDADRO Cc1ccc(I)cc1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000573216013 651471954 /nfs/dbraw/zinc/47/19/54/651471954.db2.gz QKTKXYISSAEIMK-LLVKDONJSA-N 1 0 387.221 1.406 20 0 GDADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000573536000 651483210 /nfs/dbraw/zinc/48/32/10/651483210.db2.gz LLDMAGQRKNVAEH-UHFFFAOYSA-N 1 0 384.893 1.673 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000573976113 651506300 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399.289 1.103 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(Br)ccc3-n3cnnn3)C[C@H]21 ZINC000627656532 653077228 /nfs/dbraw/zinc/07/72/28/653077228.db2.gz MDQCETOZXXXICF-IMRBUKKESA-N 1 0 377.246 1.057 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000628545942 653103108 /nfs/dbraw/zinc/10/31/08/653103108.db2.gz GFKUZHHQRFWCHQ-ZFWWWQNUSA-N 1 0 385.555 1.938 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000629165560 653135018 /nfs/dbraw/zinc/13/50/18/653135018.db2.gz BANNXSPWBDKCLB-CYBMUJFWSA-N 1 0 384.267 1.430 20 0 GDADRO Cc1sc2ncnc(SCCC(=O)NCC[N@@H+]3CC[C@@H](O)C3)c2c1C ZINC000629175630 653135857 /nfs/dbraw/zinc/13/58/57/653135857.db2.gz LZRFICHDQKVEFK-CYBMUJFWSA-N 1 0 380.539 1.973 20 0 GDADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000629420452 653165057 /nfs/dbraw/zinc/16/50/57/653165057.db2.gz WPNYGZKKIINMRN-UHFFFAOYSA-N 1 0 387.527 1.113 20 0 GDADRO C[C@H](NCC1([NH3+])CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000629522079 653168265 /nfs/dbraw/zinc/16/82/65/653168265.db2.gz XFRFXAQLJQJPIV-VIFPVBQESA-N 1 0 382.313 1.799 20 0 GDADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629788619 653182567 /nfs/dbraw/zinc/18/25/67/653182567.db2.gz IQKOLLYIVIWFAP-LLVKDONJSA-N 1 0 376.284 1.947 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000629912359 653192430 /nfs/dbraw/zinc/19/24/30/653192430.db2.gz QNIVOFRSWWPGCG-HNNXBMFYSA-N 1 0 379.258 1.431 20 0 GDADRO COCCc1ncc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)s1 ZINC000631136391 653229759 /nfs/dbraw/zinc/22/97/59/653229759.db2.gz KXAYZRIJNQODMS-AWEZNQCLSA-N 1 0 381.523 1.885 20 0 GDADRO CNS(=O)(=O)CCC[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000631244594 653232380 /nfs/dbraw/zinc/23/23/80/653232380.db2.gz BYSOSNDOFVQFSD-UHFFFAOYSA-N 1 0 381.292 1.495 20 0 GDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccc(Br)cn3)C2)CC1 ZINC000631259589 653232800 /nfs/dbraw/zinc/23/28/00/653232800.db2.gz WRKWVGGFZZLQML-CQSZACIVSA-N 1 0 397.317 1.508 20 0 GDADRO Cc1nc(C)c(Br)c(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)n1 ZINC000631307212 653234455 /nfs/dbraw/zinc/23/44/55/653234455.db2.gz MLMYFWAKFGESFZ-ZDUSSCGKSA-N 1 0 382.306 1.963 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000631639562 653241396 /nfs/dbraw/zinc/24/13/96/653241396.db2.gz NWONGJHVVMEXHD-GFCCVEGCSA-N 1 0 384.274 1.652 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000631676607 653242900 /nfs/dbraw/zinc/24/29/00/653242900.db2.gz AZOHWWUDYZRDIZ-UHFFFAOYSA-N 1 0 391.990 1.989 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000631709999 653245515 /nfs/dbraw/zinc/24/55/15/653245515.db2.gz NPTCSRDMYROVCA-NSHDSACASA-N 1 0 392.319 1.695 20 0 GDADRO C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)c3c[nH]c(=O)s3)cc2)CC1 ZINC000631752383 653249662 /nfs/dbraw/zinc/24/96/62/653249662.db2.gz ITZDBHYGAGDQTL-UHFFFAOYSA-N 1 0 382.511 1.075 20 0 GDADRO CN1CCO[C@H](CS(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000631847174 653259234 /nfs/dbraw/zinc/25/92/34/653259234.db2.gz PICGYPROIOLCKR-HOTGVXAUSA-N 1 0 387.571 1.210 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000631857741 653261357 /nfs/dbraw/zinc/26/13/57/653261357.db2.gz MNQVXJLYDRQCCG-RYUDHWBXSA-N 1 0 388.921 1.340 20 0 GDADRO O=C1[C@@H](N2CCC([NH2+]CCO)CC2)CCN1c1cccc(Br)c1 ZINC000631863156 653261835 /nfs/dbraw/zinc/26/18/35/653261835.db2.gz RYHUJAKARNJLRN-INIZCTEOSA-N 1 0 382.302 1.601 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000631905463 653266051 /nfs/dbraw/zinc/26/60/51/653266051.db2.gz NIGUXDIKTSBVCB-LDYMZIIASA-N 1 0 388.291 1.158 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000631907204 653266325 /nfs/dbraw/zinc/26/63/25/653266325.db2.gz FXOZBDAIWPNUKL-UHFFFAOYSA-N 1 0 390.307 1.406 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000631911170 653267702 /nfs/dbraw/zinc/26/77/02/653267702.db2.gz XMIBBXDCOUVJHH-UHFFFAOYSA-N 1 0 389.905 1.172 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000631910174 653267762 /nfs/dbraw/zinc/26/77/62/653267762.db2.gz YCTKCXXKRCFIBE-QGZVFWFLSA-N 1 0 387.933 1.212 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000631916632 653269618 /nfs/dbraw/zinc/26/96/18/653269618.db2.gz AIVDRNJIARBWAM-UKRRQHHQSA-N 1 0 376.425 1.573 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)Cc3ncsc3Br)C[C@@H]21 ZINC000631932635 653273898 /nfs/dbraw/zinc/27/38/98/653273898.db2.gz XAAYUAYCPOCRBC-LPEHRKFASA-N 1 0 380.333 1.795 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000631937828 653275095 /nfs/dbraw/zinc/27/50/95/653275095.db2.gz MIPOGFAPOWVZET-GFCCVEGCSA-N 1 0 380.333 1.811 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1cc(Cl)ccc1Br ZINC000631946798 653276701 /nfs/dbraw/zinc/27/67/01/653276701.db2.gz KBSSFLRMAUPLRB-NSHDSACASA-N 1 0 383.695 1.510 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000631951802 653277894 /nfs/dbraw/zinc/27/78/94/653277894.db2.gz QOYDVGLBSBHYDH-INIZCTEOSA-N 1 0 375.441 1.267 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCc2ccc(F)c(Br)c2C1 ZINC000631953266 653278111 /nfs/dbraw/zinc/27/81/11/653278111.db2.gz GNEUPCBCCIFCIV-NSHDSACASA-N 1 0 393.278 1.265 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(C)nn2cc(Br)cnc12 ZINC000631954406 653279052 /nfs/dbraw/zinc/27/90/52/653279052.db2.gz KUFLLLKVFAFRNI-WDEREUQCSA-N 1 0 388.291 1.219 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000631965571 653280105 /nfs/dbraw/zinc/28/01/05/653280105.db2.gz DFWVLUCBMCDWLC-MWLCHTKSSA-N 1 0 390.303 1.623 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000631965812 653280410 /nfs/dbraw/zinc/28/04/10/653280410.db2.gz IFNNTWAYZLXVPY-MGPQQGTHSA-N 1 0 388.917 1.971 20 0 GDADRO COCCOc1c(Cl)cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1Cl ZINC000631969864 653281976 /nfs/dbraw/zinc/28/19/76/653281976.db2.gz FLBVKSRYTJSFID-UWVGGRQHSA-N 1 0 381.281 1.753 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1ccsc1COC)[C@H]1CCS(=O)(=O)C1 ZINC000632124507 653309245 /nfs/dbraw/zinc/30/92/45/653309245.db2.gz FJWKRRKSLUWHTN-AWEZNQCLSA-N 1 0 388.555 1.866 20 0 GDADRO CCC(CC)[C@H]1C[C@H](NS(=O)(=O)CCCN2CC[NH+](C)CC2)CCO1 ZINC000632185847 653312994 /nfs/dbraw/zinc/31/29/94/653312994.db2.gz FDVIMHKQNJZSDN-QZTJIDSGSA-N 1 0 375.579 1.527 20 0 GDADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000632350022 653342898 /nfs/dbraw/zinc/34/28/98/653342898.db2.gz SEKIDTDZWDDEGW-XBFCOCLRSA-N 1 0 392.905 1.049 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc3[nH]c(=O)sc3c1)CCO2 ZINC000632504296 653366656 /nfs/dbraw/zinc/36/66/56/653366656.db2.gz XDCBTFMAUVLLQF-UHFFFAOYSA-N 1 0 383.495 1.487 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cscc1Br ZINC000632549587 653375188 /nfs/dbraw/zinc/37/51/88/653375188.db2.gz ACVRICDDBOOVPV-UHFFFAOYSA-N 1 0 384.365 1.672 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000632548590 653375206 /nfs/dbraw/zinc/37/52/06/653375206.db2.gz RTBICQJKFNZKND-LBPRGKRZSA-N 1 0 386.543 1.552 20 0 GDADRO C[NH2+]Cc1ccc(NC(=O)C(=O)NCc2c(Br)cnn2C)cc1 ZINC000633016866 653419827 /nfs/dbraw/zinc/41/98/27/653419827.db2.gz MEUDLDRNNYZTMT-UHFFFAOYSA-N 1 0 380.246 1.157 20 0 GDADRO O=C(Nc1cnn(-c2ccccc2Br)c1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633028998 653422221 /nfs/dbraw/zinc/42/22/21/653422221.db2.gz HOAYEYOHHUIEBO-JQWIXIFHSA-N 1 0 390.241 1.146 20 0 GDADRO COc1cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc(OC)c1Br ZINC000633043240 653423814 /nfs/dbraw/zinc/42/38/14/653423814.db2.gz YTOQNGDFMTZENA-IUCAKERBSA-N 1 0 386.246 1.353 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000633114988 653428902 /nfs/dbraw/zinc/42/89/02/653428902.db2.gz FJNSPQFSFYDDBR-UGFHNGPFSA-N 1 0 396.285 1.297 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000633977772 653480975 /nfs/dbraw/zinc/48/09/75/653480975.db2.gz DZOCZUTZQUZHDF-KRWDZBQOSA-N 1 0 393.285 1.436 20 0 GDADRO CC[N@H+](C)C[C@@H](O)CN1C(=O)C[C@@]2(CCc3cc(Br)ccc32)C1=O ZINC000634651974 653496429 /nfs/dbraw/zinc/49/64/29/653496429.db2.gz DLZYZNQXDGOQNO-RDTXWAMCSA-N 1 0 395.297 1.705 20 0 GDADRO O[C@H](C[NH2+]C1CN(c2ccncn2)C1)COc1cccc(Br)c1 ZINC000634728933 653497745 /nfs/dbraw/zinc/49/77/45/653497745.db2.gz SICRWXYKTBWORZ-CQSZACIVSA-N 1 0 379.258 1.457 20 0 GDADRO CNS(=O)(=O)CCC[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000634727357 653497797 /nfs/dbraw/zinc/49/77/97/653497797.db2.gz RNWAWIHQAVMEGI-UHFFFAOYSA-N 1 0 376.544 1.287 20 0 GDADRO C[NH+](C)CC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC000635115206 653506873 /nfs/dbraw/zinc/50/68/73/653506873.db2.gz MJIURGRIZYEYSX-UHFFFAOYSA-N 1 0 385.917 1.515 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)N1C[C@@H](O)[C@H](CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000637473228 653529244 /nfs/dbraw/zinc/52/92/44/653529244.db2.gz JMBCFTZPNMURKU-TUKIKUTGSA-N 1 0 376.284 1.591 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000637921481 653532209 /nfs/dbraw/zinc/53/22/09/653532209.db2.gz DBQPZCVKHFEYTG-QWHCGFSZSA-N 1 0 379.404 1.245 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000637930408 653532253 /nfs/dbraw/zinc/53/22/53/653532253.db2.gz XMHOVYRRPJQGHB-CYBMUJFWSA-N 1 0 381.420 1.493 20 0 GDADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000637938555 653532543 /nfs/dbraw/zinc/53/25/43/653532543.db2.gz SMRSRXCDNQDGOU-XJKSGUPXSA-N 1 0 384.274 1.661 20 0 GDADRO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CC3CCSCC3)CC2)C[C@H](C)O1 ZINC000637944549 653532747 /nfs/dbraw/zinc/53/27/47/653532747.db2.gz WECCBOXOTIZNJD-GJZGRUSLSA-N 1 0 377.576 1.101 20 0 GDADRO [NH3+]C[C@]1(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CCCOC1 ZINC000637959890 653533146 /nfs/dbraw/zinc/53/31/46/653533146.db2.gz KHIHXGWRXYZBAS-MRXNPFEDSA-N 1 0 385.258 1.592 20 0 GDADRO [NH3+]C[C@]1(C(=O)NCCCNC(=O)c2cccc(Br)c2)CCCOC1 ZINC000637970407 653533737 /nfs/dbraw/zinc/53/37/37/653533737.db2.gz QHYGTFNRMXQEOM-QGZVFWFLSA-N 1 0 398.301 1.441 20 0 GDADRO C[C@@]1(C(=O)NCCCNC(=O)c2cccc(Br)c2)C[NH2+]CCO1 ZINC000637969524 653533759 /nfs/dbraw/zinc/53/37/59/653533759.db2.gz KYZFZIQPYOHJGT-INIZCTEOSA-N 1 0 384.274 1.064 20 0 GDADRO [NH3+]C[C@]1(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CCCOC1 ZINC000638100373 653536630 /nfs/dbraw/zinc/53/66/30/653536630.db2.gz YWDKPFQNJYABET-RHSMWYFYSA-N 1 0 382.302 1.900 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638361561 653538866 /nfs/dbraw/zinc/53/88/66/653538866.db2.gz QXSKJOQVVQNYQI-UHFFFAOYSA-N 1 0 382.452 1.999 20 0 GDADRO [NH3+]C1(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CCOCC1 ZINC000638537009 653538980 /nfs/dbraw/zinc/53/89/80/653538980.db2.gz JWIBNLFAEDFGAJ-UHFFFAOYSA-N 1 0 380.242 1.941 20 0 GDADRO [NH3+]CCc1nc(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cs1 ZINC000638534537 653539013 /nfs/dbraw/zinc/53/90/13/653539013.db2.gz LIQALMRUYCJEJF-AWEZNQCLSA-N 1 0 380.901 1.933 20 0 GDADRO CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000638547124 653539346 /nfs/dbraw/zinc/53/93/46/653539346.db2.gz FGEKTWXUDVHWFP-YPMHNXCESA-N 1 0 379.404 1.194 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CC[C@H]1C(F)(F)F ZINC000638549367 653539526 /nfs/dbraw/zinc/53/95/26/653539526.db2.gz HOYAJZNNZQFVNB-GXSJLCMTSA-N 1 0 396.207 1.597 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC[C@@H]1C(F)(F)F ZINC000638553169 653539721 /nfs/dbraw/zinc/53/97/21/653539721.db2.gz RJAJPNWBJOVFCX-BBBLOLIVSA-N 1 0 375.313 1.383 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000638586997 653540702 /nfs/dbraw/zinc/54/07/02/653540702.db2.gz HNUXIGRHKUIVOZ-LLVKDONJSA-N 1 0 376.284 1.806 20 0 GDADRO COC[C@@]1(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]C1 ZINC000638595832 653541322 /nfs/dbraw/zinc/54/13/22/653541322.db2.gz KLGZWAWAQQYGDA-RHSMWYFYSA-N 1 0 396.285 1.297 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)C[NH2+]1 ZINC000638648181 653541772 /nfs/dbraw/zinc/54/17/72/653541772.db2.gz LEHVJPMUQDETHV-CMPLNLGQSA-N 1 0 386.265 1.965 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)C[NH2+]1 ZINC000638652473 653541966 /nfs/dbraw/zinc/54/19/66/653541966.db2.gz LBRKMNUAQCXCFQ-PWSUYJOCSA-N 1 0 379.258 1.416 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccs1 ZINC000638773366 653543166 /nfs/dbraw/zinc/54/31/66/653543166.db2.gz JYUQNVQQPRTUCP-NVXWUHKLSA-N 1 0 380.535 1.999 20 0 GDADRO C[C@@]([NH3+])(C(=O)N[C@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1 ZINC000638799214 653543756 /nfs/dbraw/zinc/54/37/56/653543756.db2.gz MVGQJUFWHSYOCA-YOEHRIQHSA-N 1 0 380.286 1.893 20 0 GDADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1snc(OC)c1Br ZINC000639061203 653545155 /nfs/dbraw/zinc/54/51/55/653545155.db2.gz MJUKUBXGRVPIGZ-VHSXEESVSA-N 1 0 381.292 1.824 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(S(N)(=O)=O)c(Cl)c1)C[C@@H]1CCCO1 ZINC000639171601 653547907 /nfs/dbraw/zinc/54/79/07/653547907.db2.gz XKHXOAVOFVCPDQ-AWEZNQCLSA-N 1 0 375.922 1.530 20 0 GDADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@@H]1n1cccn1 ZINC000639235412 653548182 /nfs/dbraw/zinc/54/81/82/653548182.db2.gz ILVRNPVSBGTZSR-NFAWXSAZSA-N 1 0 384.527 1.879 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639487976 653550945 /nfs/dbraw/zinc/55/09/45/653550945.db2.gz BVEWCTJRQWIOJC-GFCCVEGCSA-N 1 0 381.424 1.054 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000639545779 653552027 /nfs/dbraw/zinc/55/20/27/653552027.db2.gz BALLSDCNTLYTDH-HNNXBMFYSA-N 1 0 385.281 1.897 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000639768015 653552687 /nfs/dbraw/zinc/55/26/87/653552687.db2.gz XEQWSLQJQPHKKN-NVXWUHKLSA-N 1 0 387.318 1.577 20 0 GDADRO Brc1ccc2nc(Cn3cc(CCN4CC[NH2+]CC4)nn3)cn2c1 ZINC000640958959 653561423 /nfs/dbraw/zinc/56/14/23/653561423.db2.gz RUBDIXDHUDPWAG-UHFFFAOYSA-N 1 0 390.289 1.184 20 0 GDADRO [NH3+][C@H](c1cn(Cc2cc3c(c(Br)c2)OCO3)nn1)[C@H]1CCCO1 ZINC000640986746 653561969 /nfs/dbraw/zinc/56/19/69/653561969.db2.gz IIODBQILFCZESY-TZMCWYRMSA-N 1 0 381.230 1.996 20 0 GDADRO C[C@H]([NH3+])CNC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000641425538 653567208 /nfs/dbraw/zinc/56/72/08/653567208.db2.gz PPKJOZMOVNCMIH-LBPRGKRZSA-N 1 0 399.289 1.029 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2cnn3cc(Br)cnc23)CCC1 ZINC000641446314 653568371 /nfs/dbraw/zinc/56/83/71/653568371.db2.gz FCUNLBHWTVJIBY-UHFFFAOYSA-N 1 0 388.291 1.254 20 0 GDADRO CCCCN(C)S(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000641599073 653572295 /nfs/dbraw/zinc/57/22/95/653572295.db2.gz SYZZFNVMVFPKAU-HOTGVXAUSA-N 1 0 376.567 1.130 20 0 GDADRO Cc1cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)sn1 ZINC000641600251 653572491 /nfs/dbraw/zinc/57/24/91/653572491.db2.gz IENGHYOCBIIBFX-KGLIPLIRSA-N 1 0 388.559 1.307 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000641647035 653573926 /nfs/dbraw/zinc/57/39/26/653573926.db2.gz GGTJZDPMFQXDTF-UHFFFAOYSA-N 1 0 377.457 1.594 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cscc2Br)CC1 ZINC000641649750 653574087 /nfs/dbraw/zinc/57/40/87/653574087.db2.gz JHZPAWBAFZWXQU-UHFFFAOYSA-N 1 0 396.376 1.817 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000642542818 653578525 /nfs/dbraw/zinc/57/85/25/653578525.db2.gz VEIHNMLKMQUMFO-UHFFFAOYSA-N 1 0 377.304 1.679 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC[NH2+]C1CC1)c1ccccc1Br ZINC000642651241 653578990 /nfs/dbraw/zinc/57/89/90/653578990.db2.gz PQBOZHWWCKTHQX-UHFFFAOYSA-N 1 0 382.302 1.711 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000642808843 653579575 /nfs/dbraw/zinc/57/95/75/653579575.db2.gz JKUMIPNVNRMDHH-LBPRGKRZSA-N 1 0 385.295 1.557 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000642904053 653579706 /nfs/dbraw/zinc/57/97/06/653579706.db2.gz QNFYIEIZWDNPOY-UKRRQHHQSA-N 1 0 395.301 1.766 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2cc(Br)ccc2C1 ZINC000643542218 653583415 /nfs/dbraw/zinc/58/34/15/653583415.db2.gz AVNMZFNELLXLNV-HIFRSBDPSA-N 1 0 392.297 1.402 20 0 GDADRO O=C(C(=O)N1CCSC[C@H]1c1nccs1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000643552816 653583526 /nfs/dbraw/zinc/58/35/26/653583526.db2.gz OGYYAFZZBGOQOR-GUYCJALGSA-N 1 0 380.539 1.362 20 0 GDADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000643604714 653583764 /nfs/dbraw/zinc/58/37/64/653583764.db2.gz IZYPEDOYZUPXMU-ZBFHGGJFSA-N 1 0 385.306 1.781 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000643726015 653587194 /nfs/dbraw/zinc/58/71/94/653587194.db2.gz HBCQKTFCAIVQND-DOMZBBRYSA-N 1 0 382.302 1.836 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000643971037 653593294 /nfs/dbraw/zinc/59/32/94/653593294.db2.gz SZMFPJSICASBHK-AWEZNQCLSA-N 1 0 386.539 1.551 20 0 GDADRO O=C(CCOC1C[NH2+]C1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000644016910 653594844 /nfs/dbraw/zinc/59/48/44/653594844.db2.gz KYONIVOITPOCAB-UHFFFAOYSA-N 1 0 397.313 1.992 20 0 GDADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000644108955 653595687 /nfs/dbraw/zinc/59/56/87/653595687.db2.gz MRLYMWAMRYJQHX-IUODEOHRSA-N 1 0 382.302 1.929 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c(C)c1NS(C)(=O)=O ZINC000644265089 653596949 /nfs/dbraw/zinc/59/69/49/653596949.db2.gz GGFRWEYMXZQAGW-NSHDSACASA-N 1 0 391.559 1.459 20 0 GDADRO O=C(CC[NH2+]CCS(=O)(=O)N1CCSCC1)Nc1ccccc1F ZINC000644550476 653599255 /nfs/dbraw/zinc/59/92/55/653599255.db2.gz GNWXDBSVXCFZDN-UHFFFAOYSA-N 1 0 375.491 1.123 20 0 GDADRO CC(C)(C[NH2+]CCC(=O)Nc1ccc(Br)cc1)NS(C)(=O)=O ZINC000644557296 653599277 /nfs/dbraw/zinc/59/92/77/653599277.db2.gz CRIJWRKPKLBSJY-UHFFFAOYSA-N 1 0 392.319 1.695 20 0 GDADRO C[C@H](OC[C@@H](O)C[NH2+]CC(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000644557324 653599282 /nfs/dbraw/zinc/59/92/82/653599282.db2.gz IBBBZGQZMFFUDM-WFASDCNBSA-N 1 0 378.922 1.696 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCC(F)(F)C1 ZINC000644600626 653599529 /nfs/dbraw/zinc/59/95/29/653599529.db2.gz WCWKOJLQFUSBEG-LBPRGKRZSA-N 1 0 396.481 1.488 20 0 GDADRO CCNC(=O)N1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000644595606 653599539 /nfs/dbraw/zinc/59/95/39/653599539.db2.gz URCCHTKVWORSRH-KBPBESRZSA-N 1 0 386.290 1.582 20 0 GDADRO CS(=O)(=O)NC1CC([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000644640784 653599863 /nfs/dbraw/zinc/59/98/63/653599863.db2.gz BEOZTHWNIWSNDO-WXRRBKDZSA-N 1 0 382.404 1.115 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000645131705 653601683 /nfs/dbraw/zinc/60/16/83/653601683.db2.gz DBSBZJPSPMGNMY-UHFFFAOYSA-N 1 0 381.889 1.306 20 0 GDADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000645354871 653602345 /nfs/dbraw/zinc/60/23/45/653602345.db2.gz JCIAUTJCFOFPSS-UKRRQHHQSA-N 1 0 385.555 1.925 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)NCc1ccc(S(C)(=O)=O)s1)CCO2 ZINC000645464386 653602935 /nfs/dbraw/zinc/60/29/35/653602935.db2.gz KSLSBPVLEWOLDT-UHFFFAOYSA-N 1 0 387.527 1.158 20 0 GDADRO C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000645523438 653603664 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CCN(CCOc1ccc(Br)cc1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646087646 653608787 /nfs/dbraw/zinc/60/87/87/653608787.db2.gz MEAUFWPFDUMNLT-OAHLLOKOSA-N 1 0 398.301 1.545 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000646214319 653609139 /nfs/dbraw/zinc/60/91/39/653609139.db2.gz XQDHYGSUDMHGFZ-MJVIPROJSA-N 1 0 383.290 1.757 20 0 GDADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000646210652 653609188 /nfs/dbraw/zinc/60/91/88/653609188.db2.gz CILVBDGDJBLUTC-MWLCHTKSSA-N 1 0 379.682 1.909 20 0 GDADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000646457750 653610275 /nfs/dbraw/zinc/61/02/75/653610275.db2.gz CQQDOXJYIBDOQX-CQSZACIVSA-N 1 0 396.329 1.922 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3n[nH]c4ccc(Br)cc43)C2)CC1 ZINC000646458657 653610292 /nfs/dbraw/zinc/61/02/92/653610292.db2.gz CZVAJMPSTRGUSR-UHFFFAOYSA-N 1 0 392.301 1.645 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)C1 ZINC000646672834 653612282 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384.152 1.402 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1Br ZINC000655958038 653996412 /nfs/dbraw/zinc/99/64/12/653996412.db2.gz HTZFAMBHDHFZMI-SECBINFHSA-N 1 0 384.152 1.402 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655957567 653996419 /nfs/dbraw/zinc/99/64/19/653996419.db2.gz CAZTYDUMBYPQER-VIFPVBQESA-N 1 0 384.152 1.402 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000656023702 654000090 /nfs/dbraw/zinc/00/00/90/654000090.db2.gz HNEJZWJCMYOOMM-DOMZBBRYSA-N 1 0 380.286 1.584 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656060527 654001071 /nfs/dbraw/zinc/00/10/71/654001071.db2.gz ZGVBRFOCPNZWCD-PHIMTYICSA-N 1 0 388.331 1.925 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000656078368 654001489 /nfs/dbraw/zinc/00/14/89/654001489.db2.gz AEXNCWDGKAGIFC-DRQUAOQDSA-N 1 0 394.313 1.790 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2cc(Cn3cc(Br)cn3)nn2)C1 ZINC000656448946 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387.937 1.767 20 0 GDADRO Cc1cc(Br)c(S(=O)(=O)NCCN(C)CCC[NH+](C)C)s1 ZINC000657093069 654109405 /nfs/dbraw/zinc/10/94/05/654109405.db2.gz XGBNGVPJOWTPPQ-UHFFFAOYSA-N 1 0 398.392 1.981 20 0 GDADRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000657285127 654148727 /nfs/dbraw/zinc/14/87/27/654148727.db2.gz ZQIXCWCTNUSNDC-CQSZACIVSA-N 1 0 382.302 1.902 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000658381193 654187631 /nfs/dbraw/zinc/18/76/31/654187631.db2.gz ZZBQVYQEDMZNMG-OLZOCXBDSA-N 1 0 390.303 1.361 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000658388956 654188796 /nfs/dbraw/zinc/18/87/96/654188796.db2.gz DJKKYMFZQYSRIT-UHFFFAOYSA-N 1 0 389.905 1.600 20 0 GDADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 ZINC000658406005 654190551 /nfs/dbraw/zinc/19/05/51/654190551.db2.gz CQFAZDONCXVDJS-CQSZACIVSA-N 1 0 395.522 1.628 20 0 GDADRO CC(C)(Oc1ccc(Br)cc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000659302429 654220780 /nfs/dbraw/zinc/22/07/80/654220780.db2.gz GEWZDDGCBNTTOM-UHFFFAOYSA-N 1 0 384.274 1.155 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)s1 ZINC000659391616 654225049 /nfs/dbraw/zinc/22/50/49/654225049.db2.gz YNUVARMDMXTTDX-UPJWGTAASA-N 1 0 375.491 1.107 20 0 GDADRO COc1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1Br ZINC000659447758 654227172 /nfs/dbraw/zinc/22/71/72/654227172.db2.gz IDXDNMXHRQVNHJ-UHFFFAOYSA-N 1 0 396.245 1.411 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659630871 654230443 /nfs/dbraw/zinc/23/04/43/654230443.db2.gz OFRPUIZDDZEUFS-UHFFFAOYSA-N 1 0 398.236 1.884 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CCO1 ZINC000660157508 654242408 /nfs/dbraw/zinc/24/24/08/654242408.db2.gz PODMDVDYXBVRIW-LBPRGKRZSA-N 1 0 386.905 1.948 20 0 GDADRO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000660388000 654248092 /nfs/dbraw/zinc/24/80/92/654248092.db2.gz HOFXZIKTFDMQTA-GFCCVEGCSA-N 1 0 386.279 1.653 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1C(F)(F)F ZINC000660569970 654255049 /nfs/dbraw/zinc/25/50/49/654255049.db2.gz DWDLBHNZHYEEON-FVCCEPFGSA-N 1 0 383.436 1.230 20 0 GDADRO O[C@@H](CN1CCOCC1)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661576779 654276309 /nfs/dbraw/zinc/27/63/09/654276309.db2.gz OVYDDGPHBSHNPI-QGZVFWFLSA-N 1 0 384.318 1.264 20 0 GDADRO C[C@H](NC(=O)C[NH2+]C1(C(N)=O)CCOCC1)c1ccc(Br)cc1 ZINC000661593644 654277318 /nfs/dbraw/zinc/27/73/18/654277318.db2.gz AZFJJEUXKKHGDQ-NSHDSACASA-N 1 0 384.274 1.250 20 0 GDADRO O=c1cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)nc2ccc(Br)cn12 ZINC000661599576 654277888 /nfs/dbraw/zinc/27/78/88/654277888.db2.gz VDVNIOYLLVGTRY-SMDDNHRTSA-N 1 0 391.269 1.558 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN1CCOC[C@@H]1c1cccc(Br)c1 ZINC000661734798 654282423 /nfs/dbraw/zinc/28/24/23/654282423.db2.gz ZIQSNRXPMICJJV-DLBZAZTESA-N 1 0 387.318 1.762 20 0 GDADRO O=S(=O)(c1ccc(Cl)cc1)N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248725 654290536 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CC(C)([NH3+])c1nocc1C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000662850369 654309137 /nfs/dbraw/zinc/30/91/37/654309137.db2.gz NPNFCAJBDRFPJR-UHFFFAOYSA-N 1 0 396.245 1.186 20 0 GDADRO Cc1cc(N2C[C@H](C(=O)N[C@@]3(C)CC[NH2+]C3)CC2=O)ccc1Br ZINC000663007854 654318022 /nfs/dbraw/zinc/31/80/22/654318022.db2.gz GTLOQLWQYVNATP-PXAZEXFGSA-N 1 0 380.286 1.979 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663603267 654345136 /nfs/dbraw/zinc/34/51/36/654345136.db2.gz GHICVVPXFQDARW-UHFFFAOYSA-N 1 0 383.754 1.529 20 0 GDADRO CS(=O)(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1C(F)(F)F ZINC000663684933 654347403 /nfs/dbraw/zinc/34/74/03/654347403.db2.gz YIFSAGPRXVJCLR-UMSGYPCISA-N 1 0 383.436 1.230 20 0 GDADRO O=C(N1CCOC2(C[NH2+]C2)C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000664723589 654389987 /nfs/dbraw/zinc/38/99/87/654389987.db2.gz BGIUZAGMCXMAED-UHFFFAOYSA-N 1 0 395.297 1.698 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCC[C@H](C)[NH+](C)C ZINC000664889597 654393121 /nfs/dbraw/zinc/39/31/21/654393121.db2.gz OSNPJXHMCGOLGR-ZDUSSCGKSA-N 1 0 390.937 1.566 20 0 GDADRO CN(C(=O)c1cc(Br)ccc1-n1cnnn1)C1CC[NH+](C)CC1 ZINC000665075314 654396873 /nfs/dbraw/zinc/39/68/73/654396873.db2.gz TXPUUYSIFGJHJK-UHFFFAOYSA-N 1 0 379.262 1.591 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)NCc2cc(Cl)ccc2Br)C[C@@H]1O ZINC000665202285 654399988 /nfs/dbraw/zinc/39/99/88/654399988.db2.gz YISBZGIJJHQFME-STQMWFEESA-N 1 0 376.682 1.919 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1nc2ccc(Br)cn2n1 ZINC000666320662 654424476 /nfs/dbraw/zinc/42/44/76/654424476.db2.gz YGVMZNZICRUNRV-ZDUSSCGKSA-N 1 0 394.273 1.475 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCO1 ZINC000667403578 654448564 /nfs/dbraw/zinc/44/85/64/654448564.db2.gz VKHLSLRVIGDUNM-PRHODGIISA-N 1 0 377.775 1.455 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c(F)cc1Br ZINC000667404257 654448809 /nfs/dbraw/zinc/44/88/09/654448809.db2.gz HZKHSNWOEMCTLM-ZANVPECISA-N 1 0 388.237 1.410 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(F)cc1Br ZINC000667404255 654448996 /nfs/dbraw/zinc/44/89/96/654448996.db2.gz HZKHSNWOEMCTLM-RNCFNFMXSA-N 1 0 388.237 1.410 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000667441146 654450785 /nfs/dbraw/zinc/45/07/85/654450785.db2.gz WGHNHCNFYQEZMG-JTQLQIEISA-N 1 0 390.665 1.903 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3c(F)cc(Br)cc3F)C[C@H]12 ZINC000667471284 654451480 /nfs/dbraw/zinc/45/14/80/654451480.db2.gz IOTQIALWZSKVOV-VFWDIBGWSA-N 1 0 388.212 1.862 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1Br ZINC000667517630 654453864 /nfs/dbraw/zinc/45/38/64/654453864.db2.gz YNPMWXGCWGCVFL-CYBMUJFWSA-N 1 0 384.274 1.853 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667535992 654454195 /nfs/dbraw/zinc/45/41/95/654454195.db2.gz YXHMPZGCHJZEFK-MFKMUULPSA-N 1 0 393.285 1.870 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667540347 654454576 /nfs/dbraw/zinc/45/45/76/654454576.db2.gz IUBYIKRVBSDQRN-FZMZJTMJSA-N 1 0 396.285 1.997 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCc2ccc(Br)cc21 ZINC000667540653 654454650 /nfs/dbraw/zinc/45/46/50/654454650.db2.gz PYQBDLSKBKVPQT-SMDDNHRTSA-N 1 0 378.270 1.549 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(Cc2c(F)cncc2Br)CC1 ZINC000667562252 654455918 /nfs/dbraw/zinc/45/59/18/654455918.db2.gz XUYJXIUZZZXLLI-UHFFFAOYSA-N 1 0 387.297 1.873 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2c(F)cncc2Br)CC1 ZINC000667685985 654459421 /nfs/dbraw/zinc/45/94/21/654459421.db2.gz QGOBPQNBCHMQPS-OAHLLOKOSA-N 1 0 385.281 1.722 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)c(F)cc1Br ZINC000667715388 654460484 /nfs/dbraw/zinc/46/04/84/654460484.db2.gz BGVCKLVXQZQKIV-UHFFFAOYSA-N 1 0 386.221 1.036 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000732205213 654463174 /nfs/dbraw/zinc/46/31/74/654463174.db2.gz DYADRQUSNFGTHG-AWEZNQCLSA-N 1 0 377.304 1.496 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000769426444 654463804 /nfs/dbraw/zinc/46/38/04/654463804.db2.gz AVXQCNPNKJFYKK-OAHLLOKOSA-N 1 0 375.535 1.777 20 0 GDADRO CCCN(CC[NH+](C)C)C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000668300717 654477101 /nfs/dbraw/zinc/47/71/01/654477101.db2.gz UHFZJXCRTGTLOM-UHFFFAOYSA-N 1 0 381.278 1.839 20 0 GDADRO CN(C)c1ncc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)s1 ZINC000732672168 654485225 /nfs/dbraw/zinc/48/52/25/654485225.db2.gz AFBLXGWPXZJBBP-UHFFFAOYSA-N 1 0 386.465 1.860 20 0 GDADRO CCS(=O)(=O)N[C@@H](C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000668627796 654488245 /nfs/dbraw/zinc/48/82/45/654488245.db2.gz WYSDLNKOQXASMI-AWEZNQCLSA-N 1 0 377.576 1.182 20 0 GDADRO CCS(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000668847780 654492578 /nfs/dbraw/zinc/49/25/78/654492578.db2.gz KFJCFJFLHBENAH-NSHDSACASA-N 1 0 377.894 1.547 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCN1CCCS1(=O)=O)C1CCCC1 ZINC000769920701 654493135 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ZINC000754666647 654976692 /nfs/dbraw/zinc/97/66/92/654976692.db2.gz TYLWHOYEKPMZNC-HUUCEWRRSA-N 1 0 375.535 1.599 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC[N@@H+]1C ZINC000755194245 654987969 /nfs/dbraw/zinc/98/79/69/654987969.db2.gz OGXMAORNZUCXRW-JQWIXIFHSA-N 1 0 386.440 1.082 20 0 GDADRO C[C@H]1C[C@H](NC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC[N@@H+]1C ZINC000755194243 654988129 /nfs/dbraw/zinc/98/81/29/654988129.db2.gz OGXMAORNZUCXRW-CMPLNLGQSA-N 1 0 386.440 1.082 20 0 GDADRO CCO[C@H](CNC(=O)c1cn2c(Br)cnc2s1)C[NH+](C)C ZINC000831713354 654993741 /nfs/dbraw/zinc/99/37/41/654993741.db2.gz LJEQJWQEGXKLOF-SECBINFHSA-N 1 0 375.292 1.855 20 0 GDADRO CCO[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C[NH+](C)C ZINC000831776334 654996697 /nfs/dbraw/zinc/99/66/97/654996697.db2.gz HSTBMMGYAAKLCQ-ZDUSSCGKSA-N 1 0 391.921 1.287 20 0 GDADRO C[C@@H](O)CCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000788604697 654999377 /nfs/dbraw/zinc/99/93/77/654999377.db2.gz 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COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000832298469 655026072 /nfs/dbraw/zinc/02/60/72/655026072.db2.gz NDBNVABKIHFQLH-RHJSKUNNSA-N 1 0 382.404 1.211 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000789571369 655026304 /nfs/dbraw/zinc/02/63/04/655026304.db2.gz KSEYBHXTYZSMNS-SNVBAGLBSA-N 1 0 385.262 1.249 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000789594013 655028895 /nfs/dbraw/zinc/02/88/95/655028895.db2.gz ILGQQWIWTHMXFQ-UHFFFAOYSA-N 1 0 385.262 1.344 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCc2ccc(Br)cc2F)C1 ZINC000805177176 655030704 /nfs/dbraw/zinc/03/07/04/655030704.db2.gz VTQCIQPMRXBOKS-CYBMUJFWSA-N 1 0 386.265 1.457 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000790357273 655045669 /nfs/dbraw/zinc/04/56/69/655045669.db2.gz UNMFHTCWCINDRE-UHFFFAOYSA-N 1 0 387.571 1.005 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000832731524 655049727 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CC[NH+](CC)CCN(C(=O)CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000767868997 655308564 /nfs/dbraw/zinc/30/85/64/655308564.db2.gz VJBARNXJTTYYMF-INIZCTEOSA-N 1 0 387.571 1.742 20 0 GDADRO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)C(=O)NC1CC[NH2+]CC1 ZINC000841146031 655310295 /nfs/dbraw/zinc/31/02/95/655310295.db2.gz LJCNJEHJQOQKSN-UHFFFAOYSA-N 1 0 382.917 1.700 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000841150004 655310551 /nfs/dbraw/zinc/31/05/51/655310551.db2.gz QDAWIAAPTBSJPP-UHFFFAOYSA-N 1 0 398.257 1.356 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)CC[NH2+]1 ZINC000841172964 655311997 /nfs/dbraw/zinc/31/19/97/655311997.db2.gz DTWGXUDXFITNJP-JTQLQIEISA-N 1 0 377.242 1.756 20 0 GDADRO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000768119720 655314307 /nfs/dbraw/zinc/31/43/07/655314307.db2.gz FKJOTVKUYHTRCA-MJBXVCDLSA-N 1 0 375.535 1.420 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CCO1 ZINC000841218280 655315136 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Nc1c(Br)nccc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000768589019 655322523 /nfs/dbraw/zinc/32/25/23/655322523.db2.gz VZZKERCBWARDBW-UHFFFAOYSA-N 1 0 397.273 1.326 20 0 GDADRO C[C@@H]1CN(C(=O)CN2C(=S)N=NC2c2cccs2)[C@@H](C)C[N@@H+]1CCO ZINC000841452436 655325509 /nfs/dbraw/zinc/32/55/09/655325509.db2.gz CMKJIXAHXJHTRF-NEPJUHHUSA-N 1 0 381.527 1.209 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)c1nc(Br)ccc1Br ZINC000816617742 655330183 /nfs/dbraw/zinc/33/01/83/655330183.db2.gz HNYBGIMKJHZYBC-SSDOTTSWSA-N 1 0 381.068 1.259 20 0 GDADRO Cc1csc([C@](O)(CC(=O)N[C@H](CO)C[NH+]2CCCC2)C(F)(F)F)n1 ZINC000816625619 655330503 /nfs/dbraw/zinc/33/05/03/655330503.db2.gz JIIQKFVAINBBDG-SMDDNHRTSA-N 1 0 381.420 1.164 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(F)cc1Cl ZINC000841522550 655336512 /nfs/dbraw/zinc/33/65/12/655336512.db2.gz XLTWHIOOTSSOII-YGRLFVJLSA-N 1 0 390.864 1.980 20 0 GDADRO C[C@H](CNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F)C[NH+](C)C ZINC000816833041 655336663 /nfs/dbraw/zinc/33/66/63/655336663.db2.gz VLBRULBSTROJTM-SNVBAGLBSA-N 1 0 375.441 1.333 20 0 GDADRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000817146789 655345645 /nfs/dbraw/zinc/34/56/45/655345645.db2.gz KMFCPTIEDWLVGP-UHFFFAOYSA-N 1 0 378.491 1.380 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817400609 655351570 /nfs/dbraw/zinc/35/15/70/655351570.db2.gz BFOJGICMIUHJOJ-JTQLQIEISA-N 1 0 385.262 1.344 20 0 GDADRO CN(C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCC([NH3+])CC1 ZINC000841676799 655352087 /nfs/dbraw/zinc/35/20/87/655352087.db2.gz RAJHPEZGNRRFCP-UHFFFAOYSA-N 1 0 388.921 1.530 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)Nc2cnc(Br)c(C)c2)CC[N@H+](C)C1 ZINC000841683457 655352286 /nfs/dbraw/zinc/35/22/86/655352286.db2.gz KLYRJLKVYXJTFU-LLVKDONJSA-N 1 0 385.262 1.721 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(Br)ncc2C)CC[N@H+](C)C1 ZINC000841695622 655352375 /nfs/dbraw/zinc/35/23/75/655352375.db2.gz VGNCMZDKDBSKMU-LLVKDONJSA-N 1 0 385.262 1.721 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000841795244 655353768 /nfs/dbraw/zinc/35/37/68/655353768.db2.gz OZQLSQLNUDOBLX-HNNXBMFYSA-N 1 0 399.308 1.820 20 0 GDADRO CC[NH2+]CCNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000841865383 655354318 /nfs/dbraw/zinc/35/43/18/655354318.db2.gz ALQGWBIAMNDZBJ-UHFFFAOYSA-N 1 0 383.392 1.268 20 0 GDADRO O=C(NCc1cc(F)cnc1Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841908384 655354552 /nfs/dbraw/zinc/35/45/52/655354552.db2.gz ZVVLYZQVGCRWIF-LLVKDONJSA-N 1 0 383.777 1.509 20 0 GDADRO C[C@]1(CNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1(Cl)Cl ZINC000841911745 655354568 /nfs/dbraw/zinc/35/45/68/655354568.db2.gz YHURTLWUUDQLHU-HEHGZKQESA-N 1 0 391.343 1.860 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000841920204 655354754 /nfs/dbraw/zinc/35/47/54/655354754.db2.gz RRAXZIBDOPJZON-CQSZACIVSA-N 1 0 375.300 1.621 20 0 GDADRO O=C(NC[C@@H](O)c1ccccc1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000842002454 655355048 /nfs/dbraw/zinc/35/50/48/655355048.db2.gz FNMORLZAPFTHJS-NEPJUHHUSA-N 1 0 378.217 1.779 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000842012541 655355191 /nfs/dbraw/zinc/35/51/91/655355191.db2.gz XYAPDRIYEIIQQK-DOMZBBRYSA-N 1 0 384.274 1.520 20 0 GDADRO O=C(NCCSCc1ccnc(Cl)c1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842020827 655355380 /nfs/dbraw/zinc/35/53/80/655355380.db2.gz MCGZSFVQNSJZCW-KRWDZBQOSA-N 1 0 382.917 1.439 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000842020571 655355409 /nfs/dbraw/zinc/35/54/09/655355409.db2.gz KOENYQKYHMGMIW-UONOGXRCSA-N 1 0 384.933 1.718 20 0 GDADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000842182944 655357900 /nfs/dbraw/zinc/35/79/00/655357900.db2.gz JWSVRRDAICGNTR-BJKJVOPESA-N 1 0 379.551 1.818 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000842216866 655359418 /nfs/dbraw/zinc/35/94/18/655359418.db2.gz PEJUHFZDCRRHLL-IINYFYTJSA-N 1 0 386.265 1.361 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842217610 655359510 /nfs/dbraw/zinc/35/95/10/655359510.db2.gz YBMSCUCAQOERGW-OKILXGFUSA-N 1 0 398.276 1.600 20 0 GDADRO O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000817862005 655361095 /nfs/dbraw/zinc/36/10/95/655361095.db2.gz MQQUUEDPZLHVRF-UHFFFAOYSA-N 1 0 398.428 1.497 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000817863693 655361197 /nfs/dbraw/zinc/36/11/97/655361197.db2.gz LXXRJDHDQRTBJF-AGIUHOORSA-N 1 0 389.543 1.641 20 0 GDADRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817967380 655363047 /nfs/dbraw/zinc/36/30/47/655363047.db2.gz GYQJHCCVIRWKPT-HEHGZKQESA-N 1 0 389.543 1.061 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000817989320 655363486 /nfs/dbraw/zinc/36/34/86/655363486.db2.gz FXUOXMXSUTZHJR-IUODEOHRSA-N 1 0 396.285 1.169 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000817994098 655363929 /nfs/dbraw/zinc/36/39/29/655363929.db2.gz VBSCMACONGFJQF-BXUZGUMPSA-N 1 0 384.274 1.155 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)CC[NH3+])ccc2Cl)C[C@H](C)O1 ZINC000818010458 655364566 /nfs/dbraw/zinc/36/45/66/655364566.db2.gz LSEBCRSDQNTDPN-RYUDHWBXSA-N 1 0 389.905 1.169 20 0 GDADRO O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016185 655364736 /nfs/dbraw/zinc/36/47/36/655364736.db2.gz FYWJNAPURCJQMM-YOEHRIQHSA-N 1 0 383.539 1.646 20 0 GDADRO C[C@@H]1CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C[C@@H]1C[NH3+] ZINC000842478697 655366646 /nfs/dbraw/zinc/36/66/46/655366646.db2.gz NGNAWESYWBMGTH-NEPJUHHUSA-N 1 0 375.441 1.538 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c1 ZINC000842482072 655367328 /nfs/dbraw/zinc/36/73/28/655367328.db2.gz XCGPEMIWGPVCCT-NSHDSACASA-N 1 0 391.287 1.656 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc1Br ZINC000842484036 655367686 /nfs/dbraw/zinc/36/76/86/655367686.db2.gz WFGHJGUVKNNOKG-LBPRGKRZSA-N 1 0 393.303 1.887 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c(Br)c1 ZINC000842484606 655367946 /nfs/dbraw/zinc/36/79/46/655367946.db2.gz CARPTMVXFNUSBA-CQSZACIVSA-N 1 0 375.288 1.974 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c(Br)o1 ZINC000842485359 655368084 /nfs/dbraw/zinc/36/80/84/655368084.db2.gz MUNJPECXFABOKL-CYBMUJFWSA-N 1 0 393.259 1.345 20 0 GDADRO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000818134956 655368144 /nfs/dbraw/zinc/36/81/44/655368144.db2.gz KLNWGIMRBRZRMC-YGRLFVJLSA-N 1 0 384.267 1.973 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C[C@@H]1C[NH3+] ZINC000842485900 655368259 /nfs/dbraw/zinc/36/82/59/655368259.db2.gz PWDZXGFTOKXUSM-MNOVXSKESA-N 1 0 382.454 1.288 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000818187250 655369579 /nfs/dbraw/zinc/36/95/79/655369579.db2.gz WCEQAHTXGNWRPU-UHFFFAOYSA-N 1 0 376.425 1.607 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)C[C@H]2[NH3+])cn1 ZINC000818291686 655371636 /nfs/dbraw/zinc/37/16/36/655371636.db2.gz SMMWSGMPZBCHTM-GXTWGEPZSA-N 1 0 382.873 1.044 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000842698431 655371825 /nfs/dbraw/zinc/37/18/25/655371825.db2.gz FONIIRZJYYAENU-SECBINFHSA-N 1 0 381.267 1.875 20 0 GDADRO [NH3+][C@H]1CCN(S(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)C1 ZINC000842700767 655371967 /nfs/dbraw/zinc/37/19/67/655371967.db2.gz MZKVARONHJWGPJ-QMMMGPOBSA-N 1 0 379.667 1.472 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)s1 ZINC000842722896 655373660 /nfs/dbraw/zinc/37/36/60/655373660.db2.gz POSJFNJFERDCFR-OAHLLOKOSA-N 1 0 377.532 1.688 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000842726952 655373983 /nfs/dbraw/zinc/37/39/83/655373983.db2.gz RXPWXYYQKJXOBT-NEPJUHHUSA-N 1 0 375.516 1.395 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)c(Br)cc1F ZINC000842728785 655374123 /nfs/dbraw/zinc/37/41/23/655374123.db2.gz IZOKUGUORWGMKP-LLVKDONJSA-N 1 0 395.250 1.390 20 0 GDADRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000818524306 655376064 /nfs/dbraw/zinc/37/60/64/655376064.db2.gz IZYFMWNVAAJGBQ-UHFFFAOYSA-N 1 0 375.288 1.677 20 0 GDADRO CC1(C)C[NH2+]CCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000818524198 655376111 /nfs/dbraw/zinc/37/61/11/655376111.db2.gz FSXQHIDRHRTKAG-UHFFFAOYSA-N 1 0 385.917 1.949 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000818562789 655376401 /nfs/dbraw/zinc/37/64/01/655376401.db2.gz AAPSSFFWEDVDLD-LLVKDONJSA-N 1 0 387.299 1.819 20 0 GDADRO O=C(c1cn(-c2ccccc2Br)nn1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000818564469 655376524 /nfs/dbraw/zinc/37/65/24/655376524.db2.gz YUTSQRJMPYMKGH-GFCCVEGCSA-N 1 0 376.258 1.996 20 0 GDADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000842780578 655376532 /nfs/dbraw/zinc/37/65/32/655376532.db2.gz STDJRBLEAFQTGH-UONOGXRCSA-N 1 0 390.527 1.048 20 0 GDADRO C[C@@]1(CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CCC[NH2+]C1 ZINC000818572636 655376652 /nfs/dbraw/zinc/37/66/52/655376652.db2.gz JQNZDAYXIHCPLE-QGZVFWFLSA-N 1 0 385.917 1.999 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1Br ZINC000842786889 655376874 /nfs/dbraw/zinc/37/68/74/655376874.db2.gz GZWOZQCZWKGDHU-VHSXEESVSA-N 1 0 391.287 1.594 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H](C)CC[NH3+])c1 ZINC000842789727 655377121 /nfs/dbraw/zinc/37/71/21/655377121.db2.gz BJMFIHRJAOJYFO-VIFPVBQESA-N 1 0 379.276 1.641 20 0 GDADRO [NH3+][C@@H](CNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21)C1CC1 ZINC000842790585 655377145 /nfs/dbraw/zinc/37/71/45/655377145.db2.gz KHBACWNZRHLKHC-VIFPVBQESA-N 1 0 393.694 1.766 20 0 GDADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000818603652 655377414 /nfs/dbraw/zinc/37/74/14/655377414.db2.gz HTARCPBVYCFDFL-HNNXBMFYSA-N 1 0 383.901 1.752 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)cc1Cl ZINC000842795340 655377665 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COc1ccc(Cc2noc(C[C@H]3COCC[NH2+]3)n2)c(Br)c1OC ZINC000822947640 655454298 /nfs/dbraw/zinc/45/42/98/655454298.db2.gz WMQMLOWUOWIZHM-NSHDSACASA-N 1 0 398.257 1.971 20 0 GDADRO O=C(NCc1noc(C[C@@H]2COCC[NH2+]2)n1)c1ccc(Br)cc1 ZINC000823200122 655458202 /nfs/dbraw/zinc/45/82/02/655458202.db2.gz PJXCHWFHFRNDLM-GFCCVEGCSA-N 1 0 381.230 1.293 20 0 GDADRO CCO[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000846694676 655458911 /nfs/dbraw/zinc/45/89/11/655458911.db2.gz BLHVQBAIVMJUKX-TZMCWYRMSA-N 1 0 389.905 1.026 20 0 GDADRO [NH3+]CC1(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000846692600 655458949 /nfs/dbraw/zinc/45/89/49/655458949.db2.gz UYVNPLMIFQDFDC-UHFFFAOYSA-N 1 0 385.917 1.983 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)s1 ZINC000846699733 655459065 /nfs/dbraw/zinc/45/90/65/655459065.db2.gz WGLFTICZMOIBFH-HTQZYQBOSA-N 1 0 397.316 1.798 20 0 GDADRO COc1ccc(-c2nc(N3CC[NH2+]CC3)no2)c(I)c1 ZINC000823303993 655460089 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CCn1ncc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1Br ZINC000824983111 655483054 /nfs/dbraw/zinc/48/30/54/655483054.db2.gz XBIVITUBZWGDCJ-UHFFFAOYSA-N 1 0 385.306 1.992 20 0 GDADRO O=C(/C=C\c1ccc(I)o1)NC[C@@H]1C[NH2+]CCCO1 ZINC000825183421 655485260 /nfs/dbraw/zinc/48/52/60/655485260.db2.gz NEHIHZDBVVAISY-MZBZXASESA-N 1 0 376.194 1.392 20 0 GDADRO O=C(c1ccc(N2CCCS2(=O)=O)cc1Cl)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000825215860 655486023 /nfs/dbraw/zinc/48/60/23/655486023.db2.gz ZGYJGUUUWNQJJO-BLLLJJGKSA-N 1 0 383.901 1.704 20 0 GDADRO Cn1cc(C[N@H+](C)C[C@H](O)c2ccccc2Br)c(=O)n(C)c1=O ZINC000825305254 655487585 /nfs/dbraw/zinc/48/75/85/655487585.db2.gz FUUZNPQTMZOSCV-AWEZNQCLSA-N 1 0 382.258 1.012 20 0 GDADRO O=C(N1CCN(Cc2ccc(Br)s2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000825886665 655494505 /nfs/dbraw/zinc/49/45/05/655494505.db2.gz YGRJBXYOYHVTMS-CQSZACIVSA-N 1 0 376.295 1.856 20 0 GDADRO C[N@H+](CCO)C1CCN(c2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000825942062 655494980 /nfs/dbraw/zinc/49/49/80/655494980.db2.gz UUFOJMJCTPXHOO-UHFFFAOYSA-N 1 0 381.278 1.522 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)s1 ZINC000848601924 655497376 /nfs/dbraw/zinc/49/73/76/655497376.db2.gz LSBUJXQOTQCFCW-UHFFFAOYSA-N 1 0 387.527 1.539 20 0 GDADRO C[C@@H]1CN(c2ccccc2C[NH2+]CCS(=O)(=O)CC(F)(F)F)CCO1 ZINC000827045796 655504720 /nfs/dbraw/zinc/50/47/20/655504720.db2.gz WQYMXPBLJZVLPA-CYBMUJFWSA-N 1 0 380.432 1.978 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)ccc3-n3cnnn3)CC[C@H]21 ZINC000827234107 655508142 /nfs/dbraw/zinc/50/81/42/655508142.db2.gz WUHQBEFTFQPDKD-BXUZGUMPSA-N 1 0 391.273 1.591 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)CC[C@H]21 ZINC000827328631 655509068 /nfs/dbraw/zinc/50/90/68/655509068.db2.gz FEHJXPJPFKASLW-WDEREUQCSA-N 1 0 377.919 1.232 20 0 GDADRO CCn1ncc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1Br ZINC000827425687 655510958 /nfs/dbraw/zinc/51/09/58/655510958.db2.gz OIZDENOMPHDIGR-UHFFFAOYSA-N 1 0 384.322 1.518 20 0 GDADRO COc1ccc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)nc1Br ZINC000827445584 655511238 /nfs/dbraw/zinc/51/12/38/655511238.db2.gz TUXGIIPFACGNCB-UHFFFAOYSA-N 1 0 397.317 1.705 20 0 GDADRO COC(=O)N1CCC(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000827656026 655514702 /nfs/dbraw/zinc/51/47/02/655514702.db2.gz BPPOORLZTVQAPT-MRXNPFEDSA-N 1 0 384.274 1.970 20 0 GDADRO COC[C@@H](C)NC(=[NH2+])NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000849050672 655517023 /nfs/dbraw/zinc/51/70/23/655517023.db2.gz CZHAWWPRWFYUIG-SECBINFHSA-N 1 0 383.301 1.421 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cnn3cccc(Br)c23)C1 ZINC000827836597 655517159 /nfs/dbraw/zinc/51/71/59/655517159.db2.gz HEFBOMJPFMAZRJ-NSHDSACASA-N 1 0 381.274 1.672 20 0 GDADRO C[NH+](C)[C@H]1CCN(CCn2cc(COc3ccc(Br)nc3)nn2)C1 ZINC000849140249 655517588 /nfs/dbraw/zinc/51/75/88/655517588.db2.gz MUNOWQYELWFZRU-AWEZNQCLSA-N 1 0 395.305 1.651 20 0 GDADRO CN(CCCC[NH+](C)C)C(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000828269853 655520190 /nfs/dbraw/zinc/52/01/90/655520190.db2.gz TYQGZZSCWCZMDO-UHFFFAOYSA-N 1 0 392.319 1.510 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cc(Br)no2)cn1 ZINC000849598688 655542569 /nfs/dbraw/zinc/54/25/69/655542569.db2.gz FFEIZEARSSETII-CHWSQXEVSA-N 1 0 382.262 1.522 20 0 GDADRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000850361550 655553014 /nfs/dbraw/zinc/55/30/14/655553014.db2.gz TWWMKSIQHUHHHP-CVSAEHQPSA-N 1 0 376.519 1.472 20 0 GDADRO CCN(C(=O)C(=O)Nc1cnc(Cl)c(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000850584890 655559104 /nfs/dbraw/zinc/55/91/04/655559104.db2.gz URVJQAPLDRIPNI-SNVBAGLBSA-N 1 0 389.681 1.989 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCCC1 ZINC000850590860 655559477 /nfs/dbraw/zinc/55/94/77/655559477.db2.gz WNDCAMGNJLLKGS-UHFFFAOYSA-N 1 0 386.417 1.530 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000850592985 655559761 /nfs/dbraw/zinc/55/97/61/655559761.db2.gz FJTMGRXCCRFNMU-GHMZBOCLSA-N 1 0 395.250 1.296 20 0 GDADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[NH+](C)C ZINC000850595463 655560102 /nfs/dbraw/zinc/56/01/02/655560102.db2.gz ABOTVRWHVBFIJP-JTQLQIEISA-N 1 0 377.413 1.078 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000850627788 655561639 /nfs/dbraw/zinc/56/16/39/655561639.db2.gz CUIZQJKQLXWMPZ-RUZDIDTESA-N 1 0 377.388 1.273 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000850628600 655561747 /nfs/dbraw/zinc/56/17/47/655561747.db2.gz OZUHXZRDLAHHJL-UHFFFAOYSA-N 1 0 398.257 1.179 20 0 GDADRO O=C(NC[C@@H]1CSCCS1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850808610 655568564 /nfs/dbraw/zinc/56/85/64/655568564.db2.gz IOZOWTXHAYSQCI-HUUCEWRRSA-N 1 0 381.523 1.251 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1 ZINC000850822226 655568893 /nfs/dbraw/zinc/56/88/93/655568893.db2.gz YKQKPRPNMVXENW-VIFPVBQESA-N 1 0 382.877 1.346 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1 ZINC000850823194 655568908 /nfs/dbraw/zinc/56/89/08/655568908.db2.gz DHNUYLOITCAXMS-RKDXNWHRSA-N 1 0 382.877 1.331 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000850825494 655569130 /nfs/dbraw/zinc/56/91/30/655569130.db2.gz XJNDTQZDPHCUAD-BDAKNGLRSA-N 1 0 382.877 1.379 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)n1 ZINC000850826462 655569150 /nfs/dbraw/zinc/56/91/50/655569150.db2.gz HRXWAZIXDXSJDE-OAHLLOKOSA-N 1 0 382.877 1.333 20 0 GDADRO COC[C@]1(CNC(=O)[C@@]2(C)CC2(Br)Br)CCC[NH2+]1 ZINC000851636282 655589398 /nfs/dbraw/zinc/58/93/98/655589398.db2.gz RDFPHJZKTMCUQJ-GHMZBOCLSA-N 1 0 384.112 1.767 20 0 GDADRO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCS(=O)(=O)CC(F)(F)F)cc21 ZINC000851642761 655589571 /nfs/dbraw/zinc/58/95/71/655589571.db2.gz CORQMCCMVAZCHN-CYBMUJFWSA-N 1 0 378.416 1.772 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000851659055 655590102 /nfs/dbraw/zinc/59/01/02/655590102.db2.gz NDXDBJLGSVBKBR-JTQLQIEISA-N 1 0 383.392 1.266 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000851672341 655590238 /nfs/dbraw/zinc/59/02/38/655590238.db2.gz CMGZCFURKMJOAS-QWHCGFSZSA-N 1 0 379.404 1.100 20 0 GDADRO [NH3+]CCC[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1ccccc1 ZINC000851665345 655590241 /nfs/dbraw/zinc/59/02/41/655590241.db2.gz ANQGVSASWIRARN-CYBMUJFWSA-N 1 0 381.420 1.743 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)s1 ZINC000851814340 655596354 /nfs/dbraw/zinc/59/63/54/655596354.db2.gz ZRIAPJYUTROUQC-ZDUSSCGKSA-N 1 0 389.543 1.751 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000851836644 655598682 /nfs/dbraw/zinc/59/86/82/655598682.db2.gz WCOBEWPBGCWGHY-IUODEOHRSA-N 1 0 394.430 1.911 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000851836645 655598710 /nfs/dbraw/zinc/59/87/10/655598710.db2.gz WCOBEWPBGCWGHY-SWLSCSKDSA-N 1 0 394.430 1.911 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)CCSC1 ZINC000852182912 655609645 /nfs/dbraw/zinc/60/96/45/655609645.db2.gz YHUPHAHJAMBSFZ-CJNGLKHVSA-N 1 0 377.432 1.874 20 0 GDADRO CNC(=O)NC(=O)CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852336175 655612588 /nfs/dbraw/zinc/61/25/88/655612588.db2.gz YDGKGLJUARPHDZ-KCJUWKMLSA-N 1 0 397.111 1.660 20 0 GDADRO COCCS(=O)(=O)CCCN1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000852774067 655622427 /nfs/dbraw/zinc/62/24/27/655622427.db2.gz NEGVRCVBPAUMFA-ZDUSSCGKSA-N 1 0 390.527 1.560 20 0 GDADRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cnnn1C1CC[NH2+]CC1 ZINC000852808171 655622988 /nfs/dbraw/zinc/62/29/88/655622988.db2.gz MIOBKXVANXEIIL-OAHLLOKOSA-N 1 0 384.267 1.973 20 0 GDADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000852819077 655623487 /nfs/dbraw/zinc/62/34/87/655623487.db2.gz XGUSLLBYLILTGD-LBPRGKRZSA-N 1 0 389.244 1.646 20 0 GDADRO O=C(CC[C@@H]1CC1(Cl)Cl)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000852834488 655623859 /nfs/dbraw/zinc/62/38/59/655623859.db2.gz RFRWHBRGCHWSBY-XBFCOCLRSA-N 1 0 389.327 1.707 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000852842341 655623994 /nfs/dbraw/zinc/62/39/94/655623994.db2.gz VJZIDGVMUJESNF-UHFFFAOYSA-N 1 0 389.905 1.170 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)NCC2([NH3+])CCCC2)ccc1Br ZINC000852852999 655624103 /nfs/dbraw/zinc/62/41/03/655624103.db2.gz OUJVDISLGYLMOO-UHFFFAOYSA-N 1 0 375.288 1.854 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cnn(C(C)(C)C)c1Br ZINC000852878951 655624936 /nfs/dbraw/zinc/62/49/36/655624936.db2.gz AYWGECFKEHSEHW-NSHDSACASA-N 1 0 387.278 1.378 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NCc2cc(Br)ccc2Br)=NO1 ZINC000852884825 655625267 /nfs/dbraw/zinc/62/52/67/655625267.db2.gz KYUNVRSXWQNIAC-VIFPVBQESA-N 1 0 391.063 1.931 20 0 GDADRO O=C(NCCS(=O)(=O)CCc1ccccc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852891339 655625370 /nfs/dbraw/zinc/62/53/70/655625370.db2.gz QIIHZEIXARFIQF-OAHLLOKOSA-N 1 0 378.416 1.302 20 0 GDADRO C[C@]12CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])C[C@H]1C2(Br)Br ZINC000852901906 655626229 /nfs/dbraw/zinc/62/62/29/655626229.db2.gz VHJUUISJKRGIMY-KLBPJQLPSA-N 1 0 396.123 1.705 20 0 GDADRO [NH3+]CCn1cc(-c2nc(CS(=O)(=O)Cc3ccc(Cl)cc3)no2)nn1 ZINC000854161146 655657804 /nfs/dbraw/zinc/65/78/04/655657804.db2.gz QEEYTXLCKUOBGJ-UHFFFAOYSA-N 1 0 382.833 1.055 20 0 GDADRO O=C(NCCNC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Br)cn1 ZINC000855287674 655691105 /nfs/dbraw/zinc/69/11/05/655691105.db2.gz RPKHYOCQZHEITC-UHFFFAOYSA-N 1 0 395.301 1.565 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)[C@]1(C)CC1(Br)Br ZINC000855417309 655693895 /nfs/dbraw/zinc/69/38/95/655693895.db2.gz FMRIWMYGNCIBSC-LBPRGKRZSA-N 1 0 399.171 1.882 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnc(Cl)c(Br)c1 ZINC000855698450 655699894 /nfs/dbraw/zinc/69/98/94/655699894.db2.gz QEJXGDMPMBZHGT-UHFFFAOYSA-N 1 0 391.697 1.590 20 0 GDADRO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254545 655711048 /nfs/dbraw/zinc/71/10/48/655711048.db2.gz BXYNPLRZKCBQOV-NVXWUHKLSA-N 1 0 395.297 1.810 20 0 GDADRO CNS(=O)(=O)CC[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000856722216 655715149 /nfs/dbraw/zinc/71/51/49/655715149.db2.gz QALFOLFNXXWYOV-OAHLLOKOSA-N 1 0 375.535 1.647 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000856745605 655716483 /nfs/dbraw/zinc/71/64/83/655716483.db2.gz VIAUUIFEHSWGJS-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO O=C(NCC[C@H]1CC1(Cl)Cl)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000856839018 655720133 /nfs/dbraw/zinc/72/01/33/655720133.db2.gz GVOZHRYBABKFGI-UONOGXRCSA-N 1 0 379.332 1.276 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC(O)(c3cccc(Br)c3)C2)C1 ZINC000856867322 655720784 /nfs/dbraw/zinc/72/07/84/655720784.db2.gz PTYNWEJIZBYHBB-HNNXBMFYSA-N 1 0 398.301 1.383 20 0 GDADRO CC(C)C[C@H](NC(=O)NCC[C@H]1CC1(Cl)Cl)C(=O)NCC[NH+](C)C ZINC000856946424 655722995 /nfs/dbraw/zinc/72/29/95/655722995.db2.gz JUNIUMKONQDUPS-STQMWFEESA-N 1 0 381.348 1.962 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCSCc1ccnc(Cl)c1)C2 ZINC000857101460 655727741 /nfs/dbraw/zinc/72/77/41/655727741.db2.gz YCVCDFFAVTUAPM-SUMWQHHRSA-N 1 0 382.917 1.424 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857143789 655729005 /nfs/dbraw/zinc/72/90/05/655729005.db2.gz SNBNGUSZSXYCFT-CYBMUJFWSA-N 1 0 397.317 1.980 20 0 GDADRO O=C(c1c(Br)nc2n1CCOC2)N1CC[NH+](C2CCOCC2)CC1 ZINC000857144541 655729010 /nfs/dbraw/zinc/72/90/10/655729010.db2.gz MKYAIDZQGJRNMC-UHFFFAOYSA-N 1 0 399.289 1.113 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c(C)c1Cl ZINC000857234467 655731595 /nfs/dbraw/zinc/73/15/95/655731595.db2.gz KRCKEEVNPZIINT-OTYXRUKQSA-N 1 0 378.903 1.998 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2nc(Cl)sc2Cl)CC1=O ZINC000857259672 655732614 /nfs/dbraw/zinc/73/26/14/655732614.db2.gz FDRJRYVIAKQQDZ-SECBINFHSA-N 1 0 395.312 1.359 20 0 GDADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000857881110 655742828 /nfs/dbraw/zinc/74/28/28/655742828.db2.gz QHZGBUHKKAVDLI-OLZOCXBDSA-N 1 0 382.258 1.767 20 0 GDADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)Cn2cncn2)C1 ZINC000857882768 655742845 /nfs/dbraw/zinc/74/28/45/655742845.db2.gz LOVZMZRBRLFDCR-AWEZNQCLSA-N 1 0 378.274 1.950 20 0 GDADRO Cc1cc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)ncc1Br ZINC000858133411 655744819 /nfs/dbraw/zinc/74/48/19/655744819.db2.gz VLTBVFUGHRRJOI-UHFFFAOYSA-N 1 0 390.347 1.751 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(Br)cc(C=O)c2)CC1 ZINC000858424404 655748012 /nfs/dbraw/zinc/74/80/12/655748012.db2.gz YRXDTSCUBIGYPS-UHFFFAOYSA-N 1 0 382.258 1.108 20 0 GDADRO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000858498847 655748776 /nfs/dbraw/zinc/74/87/76/655748776.db2.gz WHLGVSGEMFFHEG-HZPDHXFCSA-N 1 0 375.535 1.693 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)ccc1Cl ZINC000858618152 655750697 /nfs/dbraw/zinc/75/06/97/655750697.db2.gz UEHLSZYXMXUEFZ-ZDUSSCGKSA-N 1 0 378.903 1.306 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N(C)CCOCC[NH3+])ccc1Br ZINC000858633757 655751672 /nfs/dbraw/zinc/75/16/72/655751672.db2.gz BVDYCPAJSLHMSZ-UHFFFAOYSA-N 1 0 379.276 1.248 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(Br)nc1F ZINC000859219866 655769993 /nfs/dbraw/zinc/76/99/93/655769993.db2.gz JTGQAXPTVAEGML-UHFFFAOYSA-N 1 0 397.314 1.145 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000860192984 655796264 /nfs/dbraw/zinc/79/62/64/655796264.db2.gz BYFXLPOMDBOSDS-IUODEOHRSA-N 1 0 380.432 2.000 20 0 GDADRO Cc1cnc(Cl)c(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000861515973 655824325 /nfs/dbraw/zinc/82/43/25/655824325.db2.gz UMLZKHLOOVFZRW-UWVGGRQHSA-N 1 0 378.782 1.968 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C[NH2+]1 ZINC000861524943 655824588 /nfs/dbraw/zinc/82/45/88/655824588.db2.gz JVEORIWKEQFQHQ-SFYZADRCSA-N 1 0 375.654 1.693 20 0 GDADRO C[C@]1(CCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[C@@]1(F)Cl ZINC000861648122 655827479 /nfs/dbraw/zinc/82/74/79/655827479.db2.gz NFJDZGHAYVZKED-HOTGVXAUSA-N 1 0 375.876 1.044 20 0 GDADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCC1([NH3+])CCOCC1 ZINC000861667260 655827941 /nfs/dbraw/zinc/82/79/41/655827941.db2.gz QTYDVXFNUDFGGT-AWEZNQCLSA-N 1 0 386.290 1.632 20 0 GDADRO C[C@]1(CCNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C[C@@]1(F)Cl ZINC000861781372 655830675 /nfs/dbraw/zinc/83/06/75/655830675.db2.gz UCMBBQQLRHIGPU-OAACRXHESA-N 1 0 387.805 1.793 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccc(Br)nc1 ZINC000862092669 655838334 /nfs/dbraw/zinc/83/83/34/655838334.db2.gz YSMYOFWJWSHDLO-CYBMUJFWSA-N 1 0 381.274 1.916 20 0 GDADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]CC(C)(C)NS(C)(=O)=O)COC1(C)C ZINC000862276189 655843788 /nfs/dbraw/zinc/84/37/88/655843788.db2.gz DWSCNSHHWKNXCX-GFCCVEGCSA-N 1 0 379.523 1.276 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C1CN(S(=O)(=O)N(C)C)C1)NC(=O)OC(C)(C)C ZINC000862535885 655847255 /nfs/dbraw/zinc/84/72/55/655847255.db2.gz AXXCCRQFSTWVGU-ZDUSSCGKSA-N 1 0 378.539 1.006 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000863218217 655863157 /nfs/dbraw/zinc/86/31/57/655863157.db2.gz QFKXFWKSNQRLIR-AWEZNQCLSA-N 1 0 384.571 1.955 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000864063373 655888756 /nfs/dbraw/zinc/88/87/56/655888756.db2.gz JUNFOXSEXBSKJO-UWVGGRQHSA-N 1 0 376.242 1.483 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000864069106 655889217 /nfs/dbraw/zinc/88/92/17/655889217.db2.gz YBFZDBCCJWAJAJ-SECBINFHSA-N 1 0 376.242 1.925 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cn2ccnc12 ZINC000865172390 655913682 /nfs/dbraw/zinc/91/36/82/655913682.db2.gz UMQRLMVQYOAWRG-CYBMUJFWSA-N 1 0 381.274 1.937 20 0 GDADRO Cn1nc(I)cc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000865178645 655913867 /nfs/dbraw/zinc/91/38/67/655913867.db2.gz BQNDJORHZFXTGC-UHFFFAOYSA-N 1 0 376.242 1.629 20 0 GDADRO O=C(c1cc(Br)cn2ccnc12)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000865198957 655914456 /nfs/dbraw/zinc/91/44/56/655914456.db2.gz NXPOBZNLOQMTKG-CABCVRRESA-N 1 0 393.285 1.768 20 0 GDADRO C[NH+]1CCC(CNC(=S)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 ZINC000865262352 655915673 /nfs/dbraw/zinc/91/56/73/655915673.db2.gz LGJBCIJPYRSUAZ-JCNLHEQBSA-N 1 0 381.567 1.797 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000865266907 655915724 /nfs/dbraw/zinc/91/57/24/655915724.db2.gz AKZXQMNNJBWVFT-CJNGLKHVSA-N 1 0 382.555 1.660 20 0 GDADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]CCNS(C)(=O)=O)cc2C1 ZINC000865431169 655919592 /nfs/dbraw/zinc/91/95/92/655919592.db2.gz GMKFVWAUJGSKFR-UHFFFAOYSA-N 1 0 389.543 1.680 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]CCCN1CCCS1(=O)=O ZINC000865451301 655920149 /nfs/dbraw/zinc/92/01/49/655920149.db2.gz XTFOOLRZBQGAKL-UHFFFAOYSA-N 1 0 378.292 1.368 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cnc(Cl)c(F)c3)CC2)cn1 ZINC000865473617 655920424 /nfs/dbraw/zinc/92/04/24/655920424.db2.gz SPODFFNPOVIEBJ-UHFFFAOYSA-N 1 0 387.868 1.551 20 0 GDADRO Cn1nc2c(c1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)CCCC2 ZINC000865488066 655920591 /nfs/dbraw/zinc/92/05/91/655920591.db2.gz BCXZUSGCWGNOOF-UHFFFAOYSA-N 1 0 380.436 1.703 20 0 GDADRO COc1cc(C[NH2+]C[C@]23COC(=O)N2CCOC3)cc(Br)c1O ZINC000865768137 655926080 /nfs/dbraw/zinc/92/60/80/655926080.db2.gz XKXRMSVSGMLJLQ-HNNXBMFYSA-N 1 0 387.230 1.474 20 0 GDADRO NS(=O)(=O)c1cc(Br)ccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000865854128 655928437 /nfs/dbraw/zinc/92/84/37/655928437.db2.gz MNTDEGGDHABMEO-TXEJJXNPSA-N 1 0 390.303 1.372 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(OC)cc1F ZINC000866387995 655939567 /nfs/dbraw/zinc/93/95/67/655939567.db2.gz YYVSXCMOLQQAOO-UHFFFAOYSA-N 1 0 376.450 1.487 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cn(C)nc1Br)[N@@H+]1CCCC[C@H]1C ZINC000866493070 655947116 /nfs/dbraw/zinc/94/71/16/655947116.db2.gz WIGZIJUOXIORPG-MNOVXSKESA-N 1 0 379.324 1.724 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cn(C)nc1Br)[N@@H+]1CCCC[C@H]1C ZINC000866493069 655947124 /nfs/dbraw/zinc/94/71/24/655947124.db2.gz WIGZIJUOXIORPG-GHMZBOCLSA-N 1 0 379.324 1.724 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000866497610 655947319 /nfs/dbraw/zinc/94/73/19/655947319.db2.gz NKYNODHFPKBZQN-AWEZNQCLSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(F)c(Br)c1 ZINC000866554017 655949205 /nfs/dbraw/zinc/94/92/05/655949205.db2.gz FTJISUDVKYFANJ-MEDUHNTESA-N 1 0 387.249 1.867 20 0 GDADRO CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000866566690 655949765 /nfs/dbraw/zinc/94/97/65/655949765.db2.gz FTBWQZLMVLPKND-UHFFFAOYSA-N 1 0 375.535 1.745 20 0 GDADRO COc1ccc(Br)cc1CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710151 655955922 /nfs/dbraw/zinc/95/59/22/655955922.db2.gz WKHFBCPXTSJDGC-FMKPAKJESA-N 1 0 396.285 1.825 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866748782 655958691 /nfs/dbraw/zinc/95/86/91/655958691.db2.gz BSWMZPSCTMNWKM-CYBMUJFWSA-N 1 0 390.912 1.665 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866766651 655960656 /nfs/dbraw/zinc/96/06/56/655960656.db2.gz XMXKGUFFJHVMGV-QWRGUYRKSA-N 1 0 377.308 1.573 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1Br ZINC000866770130 655961211 /nfs/dbraw/zinc/96/12/11/655961211.db2.gz SYOHHJWXHRZOTP-QWRGUYRKSA-N 1 0 377.308 1.478 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2Br)[C@@H]1CCC[NH3+] ZINC000866777440 655962250 /nfs/dbraw/zinc/96/22/50/655962250.db2.gz KHKGQKNSFACNET-GHMZBOCLSA-N 1 0 379.324 1.711 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCOc3ccc(C[NH3+])cc32)c1Br ZINC000866781642 655962945 /nfs/dbraw/zinc/96/29/45/655962945.db2.gz RWRPFBQZTCZNIL-UHFFFAOYSA-N 1 0 387.259 1.229 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000866808184 655966091 /nfs/dbraw/zinc/96/60/91/655966091.db2.gz BXXFCVXIWGMYKQ-CZMCAQCFSA-N 1 0 377.260 1.251 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)c1F ZINC000866813269 655966288 /nfs/dbraw/zinc/96/62/88/655966288.db2.gz YHAGGTARAJOLDH-VIFPVBQESA-N 1 0 378.853 1.932 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(I)c1)C1CC[NH2+]CC1 ZINC000866811744 655966309 /nfs/dbraw/zinc/96/63/09/655966309.db2.gz KBWXERCXCOKHOL-SNVBAGLBSA-N 1 0 394.278 1.958 20 0 GDADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000866813989 655966405 /nfs/dbraw/zinc/96/64/05/655966405.db2.gz IDEWTZCASVUTGX-INIZCTEOSA-N 1 0 392.518 1.615 20 0 GDADRO Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866816269 655966632 /nfs/dbraw/zinc/96/66/32/655966632.db2.gz DBAIAKCFCMXHSJ-MJBXVCDLSA-N 1 0 385.873 1.204 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Cl ZINC000866818440 655966793 /nfs/dbraw/zinc/96/67/93/655966793.db2.gz YNCGKSKFWWEAIE-GLQYFDAESA-N 1 0 385.873 1.204 20 0 GDADRO O=C(Nc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1)C(F)(F)F ZINC000866825658 655967438 /nfs/dbraw/zinc/96/74/38/655967438.db2.gz RMLZYHAXIBBNEP-CHWSQXEVSA-N 1 0 377.388 1.702 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866825837 655967451 /nfs/dbraw/zinc/96/74/51/655967451.db2.gz SMYJGKUHDUQVSF-CHWSQXEVSA-N 1 0 388.287 1.063 20 0 GDADRO O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866825423 655967497 /nfs/dbraw/zinc/96/74/97/655967497.db2.gz QIGHQFOIAKKYQJ-CHWSQXEVSA-N 1 0 398.428 1.495 20 0 GDADRO Cc1ccc(OS(=O)(=O)CCC[NH+](C)C)c(I)n1 ZINC000867015029 655987460 /nfs/dbraw/zinc/98/74/60/655987460.db2.gz UHXRHYOXYTXGHI-UHFFFAOYSA-N 1 0 384.239 1.655 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cnn(C)c2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000867125108 655999130 /nfs/dbraw/zinc/99/91/30/655999130.db2.gz SMCNRMJLTZPVJZ-WDEREUQCSA-N 1 0 398.476 1.639 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cn(C)nc1Br ZINC000867146132 656002143 /nfs/dbraw/zinc/00/21/43/656002143.db2.gz NWROCLVPWYNLQA-QWRGUYRKSA-N 1 0 379.324 1.581 20 0 GDADRO CCC(CC)[C@@H](CNS(=O)(=O)c1cn(C)nc1Br)[NH+](C)C ZINC000867147765 656002368 /nfs/dbraw/zinc/00/23/68/656002368.db2.gz NTMRHQCGAIUJLU-LLVKDONJSA-N 1 0 381.340 1.827 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867285651 656031124 /nfs/dbraw/zinc/03/11/24/656031124.db2.gz GADKIEZCODTWGI-HOCLYGCPSA-N 1 0 394.313 1.960 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000867297362 656033266 /nfs/dbraw/zinc/03/32/66/656033266.db2.gz JDJKRRBDBHWNLW-RISCZKNCSA-N 1 0 389.315 1.923 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2cnn(C)c2Br)CC[N@@H+](C2CCC2)C1 ZINC000867299255 656033726 /nfs/dbraw/zinc/03/37/26/656033726.db2.gz PYVDQLHQJHRFGR-LLVKDONJSA-N 1 0 391.335 1.678 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)S(=O)(=O)CCC[NH+](C)C ZINC000867369892 656047019 /nfs/dbraw/zinc/04/70/19/656047019.db2.gz JHGNVNHOVINWDE-CQSZACIVSA-N 1 0 379.320 1.696 20 0 GDADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867539500 656080776 /nfs/dbraw/zinc/08/07/76/656080776.db2.gz LSMKZECRJDQNCO-UHFFFAOYSA-N 1 0 397.317 1.795 20 0 GDADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000867743044 656107585 /nfs/dbraw/zinc/10/75/85/656107585.db2.gz GMWCBBRGKUGYME-UHFFFAOYSA-N 1 0 392.518 1.770 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)N=[S@@](C)(=O)c3ccccc3F)CC[C@H]21 ZINC000867807486 656119453 /nfs/dbraw/zinc/11/94/53/656119453.db2.gz DRENOKFAGPFNSU-QNXDBWELSA-N 1 0 375.491 1.553 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)CC[C@H]21 ZINC000867812234 656120146 /nfs/dbraw/zinc/12/01/46/656120146.db2.gz IQQWZDYQFBDIIP-IUODEOHRSA-N 1 0 383.901 1.939 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(Br)o3)CC2)CC1 ZINC000867816736 656121096 /nfs/dbraw/zinc/12/10/96/656121096.db2.gz KKKHIHWADZJNSG-UHFFFAOYSA-N 1 0 392.319 1.443 20 0 GDADRO CC(=O)N[C@@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1cccc(Br)c1 ZINC000867978616 656136649 /nfs/dbraw/zinc/13/66/49/656136649.db2.gz QFKNQUQPYOKFHX-NVXWUHKLSA-N 1 0 380.286 1.981 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1I ZINC000867983640 656137031 /nfs/dbraw/zinc/13/70/31/656137031.db2.gz QKJIWYAXPVQKLO-ZETCQYMHSA-N 1 0 390.147 1.688 20 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O=C(NCc1ncc(Br)s1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000876282915 656592005 /nfs/dbraw/zinc/59/20/05/656592005.db2.gz AEVKBARFWCAOQV-LLVKDONJSA-N 1 0 389.319 1.646 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCC[C@]([NH3+])(CO)C2)c(F)cc1Br ZINC000923697108 656592195 /nfs/dbraw/zinc/59/21/95/656592195.db2.gz XIOQTXFJIVGNKO-CYBMUJFWSA-N 1 0 381.267 1.371 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923702252 656593165 /nfs/dbraw/zinc/59/31/65/656593165.db2.gz NTCIXKCRBMRROR-MNOVXSKESA-N 1 0 379.404 1.793 20 0 GDADRO COC1CC[NH+](CCNC(=O)NCc2ncc(Br)s2)CC1 ZINC000876286216 656593397 /nfs/dbraw/zinc/59/33/97/656593397.db2.gz PRWFYGGTVFZFTC-UHFFFAOYSA-N 1 0 377.308 1.816 20 0 GDADRO O=C(NCc1ncc(Br)s1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000876286812 656594097 /nfs/dbraw/zinc/59/40/97/656594097.db2.gz WNBXWZVBRCQHAN-MNOVXSKESA-N 1 0 389.319 1.646 20 0 GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923712834 656594546 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O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000876552682 656612987 /nfs/dbraw/zinc/61/29/87/656612987.db2.gz ACBOSZYVGRKDFQ-WFASDCNBSA-N 1 0 389.880 1.121 20 0 GDADRO O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000876557671 656613596 /nfs/dbraw/zinc/61/35/96/656613596.db2.gz CLQZYKOBMOTZCY-WFASDCNBSA-N 1 0 389.880 1.121 20 0 GDADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCNC(=O)c1ccc(Br)cc1 ZINC000876609515 656617382 /nfs/dbraw/zinc/61/73/82/656617382.db2.gz URXJGODHFLNIEQ-UJYKQDJBSA-N 1 0 380.286 1.851 20 0 GDADRO CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876623859 656618560 /nfs/dbraw/zinc/61/85/60/656618560.db2.gz XFWLSCBQWJGKQM-KBPBESRZSA-N 1 0 376.425 1.157 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1 ZINC000876618200 656618708 /nfs/dbraw/zinc/61/87/08/656618708.db2.gz MWJHLYKZCMHIKH-KBPBESRZSA-N 1 0 375.441 1.172 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876694753 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[NH3+][C@H]1C[C@@H](CNC(=O)c2sc3c(c2I)CNC3)C1 ZINC000877242452 656660351 /nfs/dbraw/zinc/66/03/51/656660351.db2.gz PWPXRLFQCXIYDZ-KNVOCYPGSA-N 1 0 377.251 1.423 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)c1cccc(Br)c1 ZINC000877273663 656662909 /nfs/dbraw/zinc/66/29/09/656662909.db2.gz PQSJHUKLMJIMPL-OAGGEKHMSA-N 1 0 380.286 1.979 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000877313612 656666702 /nfs/dbraw/zinc/66/67/02/656666702.db2.gz ZSTYYZMVVLTXML-LLVKDONJSA-N 1 0 378.782 1.628 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc(Br)cn2)C[C@H]1C(F)(F)F ZINC000877355397 656668923 /nfs/dbraw/zinc/66/89/23/656668923.db2.gz NKARYRPZUSSKFK-WCBMZHEXSA-N 1 0 382.180 1.819 20 0 GDADRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000877355792 656668929 /nfs/dbraw/zinc/66/89/29/656668929.db2.gz CGCGJNJQYUXQQM-UHFFFAOYSA-N 1 0 393.303 1.918 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)C[C@H]1C(F)(F)F ZINC000877359160 656669507 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388.555 1.500 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CCS(=O)(=O)C2CC2)cc1Br ZINC000877591480 656682134 /nfs/dbraw/zinc/68/21/34/656682134.db2.gz UXIZVZFRQISNIL-UHFFFAOYSA-N 1 0 376.272 1.903 20 0 GDADRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000924846022 656682149 /nfs/dbraw/zinc/68/21/49/656682149.db2.gz BPSQLOBCNPVZDI-MNOVXSKESA-N 1 0 382.404 1.564 20 0 GDADRO C[NH+](C)Cc1ccc(NC(=O)C2CN(S(C)(=O)=O)C2)cc1C(F)(F)F ZINC000924887629 656685728 /nfs/dbraw/zinc/68/57/28/656685728.db2.gz RWIYLZOCEYQBRN-UHFFFAOYSA-N 1 0 379.404 1.597 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000877662893 656686996 /nfs/dbraw/zinc/68/69/96/656686996.db2.gz ZXLUVQRUMJONAN-AWEZNQCLSA-N 1 0 377.551 1.799 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000877776184 656691987 /nfs/dbraw/zinc/69/19/87/656691987.db2.gz ADLFTAVAESSTTI-UWVGGRQHSA-N 1 0 397.282 1.470 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccc(Br)n1 ZINC000925080050 656693762 /nfs/dbraw/zinc/69/37/62/656693762.db2.gz KDGPZPJZKRAUNH-HUUCEWRRSA-N 1 0 383.334 1.901 20 0 GDADRO C[NH+](C)C[C@@H]1NC(=O)N([C@@H]2CCc3cc(Br)ccc3NC2=O)C1=O ZINC000925107274 656694746 /nfs/dbraw/zinc/69/47/46/656694746.db2.gz SLKQMBBXZAOENP-QWHCGFSZSA-N 1 0 395.257 1.184 20 0 GDADRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cnn(C)n1 ZINC000925168814 656697860 /nfs/dbraw/zinc/69/78/60/656697860.db2.gz WXZRMWGVBSLITM-CYBMUJFWSA-N 1 0 383.543 1.945 20 0 GDADRO O=C(NCC[NH2+][C@@H]1C(=O)NCC12CCOCC2)c1cccc(Br)c1 ZINC000925400891 656710113 /nfs/dbraw/zinc/71/01/13/656710113.db2.gz PCFDCGZRKYQDRG-CQSZACIVSA-N 1 0 396.285 1.064 20 0 GDADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@H](O)COc1ccccc1Br ZINC000925544687 656714828 /nfs/dbraw/zinc/71/48/28/656714828.db2.gz UMVDEJRMMOJBBL-SWLSCSKDSA-N 1 0 399.285 1.074 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC[C@H](O)COc1ccc(I)cc1 ZINC000925566136 656714893 /nfs/dbraw/zinc/71/48/93/656714893.db2.gz DVKGHOGQPUPARB-JSGCOSHPSA-N 1 0 390.265 1.761 20 0 GDADRO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000925794263 656720609 /nfs/dbraw/zinc/72/06/09/656720609.db2.gz MDAULFSLWWOSMG-FZMZJTMJSA-N 1 0 396.481 1.110 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cs1)C(N)=O ZINC000878523759 656730276 /nfs/dbraw/zinc/73/02/76/656730276.db2.gz IMCBNFRCDOZKBU-GFCCVEGCSA-N 1 0 384.571 1.984 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000926114134 656736320 /nfs/dbraw/zinc/73/63/20/656736320.db2.gz VCRVVGPMPFRTQI-NEPJUHHUSA-N 1 0 398.305 1.658 20 0 GDADRO Cc1cnc(Br)c(NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000926122341 656736938 /nfs/dbraw/zinc/73/69/38/656736938.db2.gz FNGJMAOIHKBLJI-LLVKDONJSA-N 1 0 397.273 1.959 20 0 GDADRO CCn1c(Br)ncc1C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926138889 656738591 /nfs/dbraw/zinc/73/85/91/656738591.db2.gz BQAHELMGVZXIBH-GDLHICMESA-N 1 0 399.333 1.875 20 0 GDADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926192450 656740843 /nfs/dbraw/zinc/74/08/43/656740843.db2.gz IKXRVNIHBAHUTJ-JOYOIKCWSA-N 1 0 395.257 1.996 20 0 GDADRO CC1(C)CN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C[C@H]1[NH3+] ZINC000926193341 656740913 /nfs/dbraw/zinc/74/09/13/656740913.db2.gz NABIZKMFALYWAI-LLVKDONJSA-N 1 0 383.246 1.981 20 0 GDADRO O=C1CC[C@@H]([NH+]2CCN(C[C@H](O)c3ccc(Br)cc3)CC2)CCN1 ZINC000878688192 656741717 /nfs/dbraw/zinc/74/17/17/656741717.db2.gz YEDFRZUMGBLQLG-SJORKVTESA-N 1 0 396.329 1.769 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000926281177 656743531 /nfs/dbraw/zinc/74/35/31/656743531.db2.gz NKRVSWXOXAGWKO-CYBMUJFWSA-N 1 0 391.335 1.644 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000926357662 656749534 /nfs/dbraw/zinc/74/95/34/656749534.db2.gz ZDANTTORAILKHZ-LBPRGKRZSA-N 1 0 380.286 1.531 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000926362723 656750025 /nfs/dbraw/zinc/75/00/25/656750025.db2.gz UCVWMRJBVYOJSY-NSHDSACASA-N 1 0 398.276 1.670 20 0 GDADRO C[C@@H]([NH2+]CCn1cc(Br)cn1)C1CCN(S(C)(=O)=O)CC1 ZINC000926414881 656752923 /nfs/dbraw/zinc/75/29/23/656752923.db2.gz LZMXLSVTDVDDKS-LLVKDONJSA-N 1 0 379.324 1.295 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)Cc2c(Br)cnn2C)CC1 ZINC000878869435 656754609 /nfs/dbraw/zinc/75/46/09/656754609.db2.gz DXGDLORDMPWMTI-UHFFFAOYSA-N 1 0 386.338 1.115 20 0 GDADRO CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000926477720 656757396 /nfs/dbraw/zinc/75/73/96/656757396.db2.gz ZKTQZTZCIRJXJC-RBSFLKMASA-N 1 0 376.519 1.568 20 0 GDADRO CC(C)[C@H](O)CC[NH+]1CCC(n2nncc2I)CC1 ZINC000878950013 656762732 /nfs/dbraw/zinc/76/27/32/656762732.db2.gz RFVMAIIFXDDIOG-GFCCVEGCSA-N 1 0 378.258 1.927 20 0 GDADRO CCOC(=O)CC1([NH2+]C[C@H](O)c2cc(Br)no2)CCOCC1 ZINC000878996919 656766287 /nfs/dbraw/zinc/76/62/87/656766287.db2.gz QYEWJWODDZUTID-JTQLQIEISA-N 1 0 377.235 1.563 20 0 GDADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000879020043 656768958 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382.247 1.645 20 0 GDADRO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879556843 656805874 /nfs/dbraw/zinc/80/58/74/656805874.db2.gz WPFDBLJJFFJZAX-HUUCEWRRSA-N 1 0 381.567 1.898 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cn(C)nc2Br)cn1 ZINC000927618663 656816423 /nfs/dbraw/zinc/81/64/23/656816423.db2.gz XOMCNXNTZMMOLQ-ZIAGYGMSSA-N 1 0 395.305 1.268 20 0 GDADRO Cc1c(C)c(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])ccc1I ZINC000927799546 656839265 /nfs/dbraw/zinc/83/92/65/656839265.db2.gz OURLDRBXHUYWHB-VHSXEESVSA-N 1 0 389.237 1.698 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(I)c(Cl)c1 ZINC000927801050 656839612 /nfs/dbraw/zinc/83/96/12/656839612.db2.gz NBAXKPKGDLIYOW-ZCFIWIBFSA-N 1 0 381.601 1.347 20 0 GDADRO Cc1c(C)c(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])ccc1I ZINC000927807290 656840134 /nfs/dbraw/zinc/84/01/34/656840134.db2.gz DMDHUDKGTIWCFL-MRVPVSSYSA-N 1 0 389.237 1.652 20 0 GDADRO [NH3+]C1CCN(CCNC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000927840671 656843311 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COC1(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)CS(=O)(=O)C1 ZINC000931293463 657089927 /nfs/dbraw/zinc/08/99/27/657089927.db2.gz AELWQDMEMZLVRD-UHFFFAOYSA-N 1 0 384.523 1.296 20 0 GDADRO COC[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000931558610 657107711 /nfs/dbraw/zinc/10/77/11/657107711.db2.gz SNYCRTJIRGJCAS-CQSZACIVSA-N 1 0 377.304 1.618 20 0 GDADRO Cc1nn(C)c(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1Br ZINC000931576576 657108954 /nfs/dbraw/zinc/10/89/54/657108954.db2.gz KPPJMXDIZXGQIF-GFCCVEGCSA-N 1 0 386.294 1.866 20 0 GDADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000931723376 657123248 /nfs/dbraw/zinc/12/32/48/657123248.db2.gz OOBIYNJZBHBZGQ-NWDGAFQWSA-N 1 0 386.905 1.094 20 0 GDADRO CCOC(=O)C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C(F)(F)F ZINC000931910641 657139083 /nfs/dbraw/zinc/13/90/83/657139083.db2.gz GWLCCXMEELLELS-SRVKXCTJSA-N 1 0 383.436 1.750 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cn2ncnc12 ZINC000931987714 657142816 /nfs/dbraw/zinc/14/28/16/657142816.db2.gz HWUYDLGYYRKOPJ-GFCCVEGCSA-N 1 0 382.262 1.332 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000882524293 657143102 /nfs/dbraw/zinc/14/31/02/657143102.db2.gz JQCGTHCFKUSDDP-UHFFFAOYSA-N 1 0 381.329 1.694 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cccc(Br)n2)CC1 ZINC000882523935 657143160 /nfs/dbraw/zinc/14/31/60/657143160.db2.gz DOLBJLXHIXWBRU-UHFFFAOYSA-N 1 0 391.335 1.150 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Br)cn2ncnc12 ZINC000932034895 657144987 /nfs/dbraw/zinc/14/49/87/657144987.db2.gz RXYWKWBLJNWERI-ZDUSSCGKSA-N 1 0 396.289 1.675 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000932263946 657167921 /nfs/dbraw/zinc/16/79/21/657167921.db2.gz YHIODZCCUIQRLQ-GFCCVEGCSA-N 1 0 379.258 1.843 20 0 GDADRO C[C@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000932493581 657191063 /nfs/dbraw/zinc/19/10/63/657191063.db2.gz IMNWIJQXCXUJEC-GWCFXTLKSA-N 1 0 375.878 1.153 20 0 GDADRO Cc1cc(I)cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000932526214 657193851 /nfs/dbraw/zinc/19/38/51/657193851.db2.gz KRRQEHKDUSYSCW-AWEZNQCLSA-N 1 0 387.265 1.575 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000932525726 657193949 /nfs/dbraw/zinc/19/39/49/657193949.db2.gz GZHOXHMLFIUMSF-WCQYABFASA-N 1 0 395.301 1.237 20 0 GDADRO COC(=O)c1cnc([C@H]2CC[N@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)s1 ZINC000932667154 657207261 /nfs/dbraw/zinc/20/72/61/657207261.db2.gz CIGKWZCKQAZTMY-STQMWFEESA-N 1 0 387.527 1.391 20 0 GDADRO C[C@H](CNC(=O)c1cc(Br)cn2ncnc12)C[NH+]1CCN(C)CC1 ZINC000932714952 657212518 /nfs/dbraw/zinc/21/25/18/657212518.db2.gz XGNLTOQWUVJJIZ-GFCCVEGCSA-N 1 0 395.305 1.105 20 0 GDADRO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932808875 657223695 /nfs/dbraw/zinc/22/36/95/657223695.db2.gz HUEQXRRMYZVROK-INIZCTEOSA-N 1 0 384.274 1.708 20 0 GDADRO COc1ncc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)c(C)c1Br ZINC000932946441 657232549 /nfs/dbraw/zinc/23/25/49/657232549.db2.gz PYYCESQYUDOSGD-NSHDSACASA-N 1 0 386.294 1.528 20 0 GDADRO NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000932950355 657234612 /nfs/dbraw/zinc/23/46/12/657234612.db2.gz RMKOPOAIEPJTJB-ZWNOBZJWSA-N 1 0 383.297 1.344 20 0 GDADRO NS(=O)(=O)C[C@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000932959146 657239783 /nfs/dbraw/zinc/23/97/83/657239783.db2.gz VVDGLDIUXWUJSW-WDEREUQCSA-N 1 0 383.297 1.344 20 0 GDADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000933038456 657248930 /nfs/dbraw/zinc/24/89/30/657248930.db2.gz DPLCNPYCNPLHPN-WFASDCNBSA-N 1 0 389.279 1.618 20 0 GDADRO Cn1ncc(I)c1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933053678 657250363 /nfs/dbraw/zinc/25/03/63/657250363.db2.gz AMSFRTVUAPASMK-NSHDSACASA-N 1 0 391.253 1.531 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2c3c(nn2C)CCSC3)cc1 ZINC000882916991 657257988 /nfs/dbraw/zinc/25/79/88/657257988.db2.gz BAQPQPYSVRTZPI-LBPRGKRZSA-N 1 0 380.539 1.968 20 0 GDADRO C[N@H+](CCNc1ncnc(C(F)(F)F)c1Br)CCOCCO ZINC000882950875 657259516 /nfs/dbraw/zinc/25/95/16/657259516.db2.gz DTEOQKSMRZBIGQ-UHFFFAOYSA-N 1 0 387.200 1.611 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ncc(I)s2)C1 ZINC000883120249 657273416 /nfs/dbraw/zinc/27/34/16/657273416.db2.gz XXCDDSBOJSKBTN-LBPRGKRZSA-N 1 0 395.266 1.276 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@H]([C@H]2CCOC2)C1 ZINC000883181142 657277089 /nfs/dbraw/zinc/27/70/89/657277089.db2.gz SOAXSUXKRBAWHM-KKUMJFAQSA-N 1 0 376.519 1.283 20 0 GDADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CCCOC1 ZINC000883220585 657277891 /nfs/dbraw/zinc/27/78/91/657277891.db2.gz MHJVETLNXXKILC-IUODEOHRSA-N 1 0 394.896 1.789 20 0 GDADRO Cn1ccn2c(C[NH2+][C@H]3CCc4cc(Br)ccc4C3)nnc2c1=O ZINC000883333358 657282304 /nfs/dbraw/zinc/28/23/04/657282304.db2.gz RIQPHJFLRWYWNT-AWEZNQCLSA-N 1 0 388.269 1.838 20 0 GDADRO C[N@H+](C[C@H]1CCS(=O)(=O)C1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000933496897 657283977 /nfs/dbraw/zinc/28/39/77/657283977.db2.gz BAGFJWSWSLMPLQ-CQSZACIVSA-N 1 0 376.519 1.427 20 0 GDADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000883377408 657284471 /nfs/dbraw/zinc/28/44/71/657284471.db2.gz HIZSSASSJRRNIF-GXTWGEPZSA-N 1 0 387.299 1.869 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc1C ZINC000883470048 657288420 /nfs/dbraw/zinc/28/84/20/657288420.db2.gz KBWWWPDZQOEZLW-UHFFFAOYSA-N 1 0 384.420 1.922 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000883473174 657290428 /nfs/dbraw/zinc/29/04/28/657290428.db2.gz SNEDDPYVNFSGGT-LLVKDONJSA-N 1 0 379.404 1.950 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc3c(c1)CCCC3=O)C2 ZINC000883480400 657291475 /nfs/dbraw/zinc/29/14/75/657291475.db2.gz BEQBMTBLTHMCFK-UHFFFAOYSA-N 1 0 377.491 1.868 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)c(F)c1 ZINC000883481628 657291968 /nfs/dbraw/zinc/29/19/68/657291968.db2.gz UNKJCIGVVIUNQM-UHFFFAOYSA-N 1 0 375.422 1.636 20 0 GDADRO O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000883584623 657299248 /nfs/dbraw/zinc/29/92/48/657299248.db2.gz TZQFJWSIMNZKQR-LBPRGKRZSA-N 1 0 384.527 1.467 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000883641364 657303214 /nfs/dbraw/zinc/30/32/14/657303214.db2.gz NBWDOMJQRYJNDW-XHDPSFHLSA-N 1 0 386.315 1.809 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)Nc1cnn(C)c1I ZINC000933733050 657305078 /nfs/dbraw/zinc/30/50/78/657305078.db2.gz OHOGYYPYZXHKQS-UHFFFAOYSA-N 1 0 395.245 1.115 20 0 GDADRO Cn1ncc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1I ZINC000933734036 657305610 /nfs/dbraw/zinc/30/56/10/657305610.db2.gz NDRZSHYTACTWNI-SNVBAGLBSA-N 1 0 389.241 1.727 20 0 GDADRO CC[N@@H+]1CCN(C(=O)Nc2cnn(C)c2I)C[C@@H]1C ZINC000933735023 657307366 /nfs/dbraw/zinc/30/73/66/657307366.db2.gz IOHCCDIPJWYYDZ-VIFPVBQESA-N 1 0 377.230 1.583 20 0 GDADRO CN(CCC[NH+]1CCCC1)C(=O)Nc1cnn(C)c1I ZINC000933741020 657314347 /nfs/dbraw/zinc/31/43/47/657314347.db2.gz UPWUBHJEEUDGGF-UHFFFAOYSA-N 1 0 391.257 1.974 20 0 GDADRO CC(C)N(Cc1cccc(Br)c1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884079762 657323367 /nfs/dbraw/zinc/32/33/67/657323367.db2.gz AFISWJGAHCNPKQ-AWEZNQCLSA-N 1 0 391.331 1.948 20 0 GDADRO COCC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000884114932 657326503 /nfs/dbraw/zinc/32/65/03/657326503.db2.gz DORACSXNAAEOHX-HNNXBMFYSA-N 1 0 398.301 1.990 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2cc(Br)cn3ncnc23)CCSC1 ZINC000934080647 657335940 /nfs/dbraw/zinc/33/59/40/657335940.db2.gz ZBZCYYOKRACUNW-AWEZNQCLSA-N 1 0 384.303 1.659 20 0 GDADRO COCc1nc2n(n1)C[C@H](NC(=O)[C@H]([NH3+])c1ccc(Br)cc1)CC2 ZINC000884327625 657346579 /nfs/dbraw/zinc/34/65/79/657346579.db2.gz YTULIZZYFURCBA-IUODEOHRSA-N 1 0 394.273 1.318 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CCCO1 ZINC000884342208 657348699 /nfs/dbraw/zinc/34/86/99/657348699.db2.gz ULNQSAYGGIUOKE-TZMCWYRMSA-N 1 0 383.242 1.107 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CCCO1 ZINC000884342206 657348781 /nfs/dbraw/zinc/34/87/81/657348781.db2.gz ULNQSAYGGIUOKE-JSGCOSHPSA-N 1 0 383.242 1.107 20 0 GDADRO COCC[C@@H]([NH3+])C(=O)NCc1cc(Cl)cc(I)c1 ZINC000884368587 657350824 /nfs/dbraw/zinc/35/08/24/657350824.db2.gz BQWLEOAEAZDIRZ-LLVKDONJSA-N 1 0 382.629 1.925 20 0 GDADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCc1nn(C)cc1Br ZINC000884391561 657352390 /nfs/dbraw/zinc/35/23/90/657352390.db2.gz DRBBIRDLXYNKBF-LBPRGKRZSA-N 1 0 393.289 1.998 20 0 GDADRO [NH3+][C@@H](C(=O)N1CC[C@H](CN2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000884415395 657355412 /nfs/dbraw/zinc/35/54/12/657355412.db2.gz SJMCNSYQAJJIBR-MLGOLLRUSA-N 1 0 380.286 1.920 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934375786 657359243 /nfs/dbraw/zinc/35/92/43/657359243.db2.gz ONUAVXXSGMNWBH-NSHDSACASA-N 1 0 385.310 1.738 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000884515940 657362172 /nfs/dbraw/zinc/36/21/72/657362172.db2.gz XBKYWVUQIMJNML-CTYIDZIISA-N 1 0 382.302 1.742 20 0 GDADRO COC(=O)Cn1cc(CC[NH2+][C@@](C)(CO)c2cccc(Br)c2)nn1 ZINC000934496868 657363339 /nfs/dbraw/zinc/36/33/39/657363339.db2.gz OCQMBVGLBIIHQL-INIZCTEOSA-N 1 0 397.273 1.253 20 0 GDADRO CCN(C(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21)[C@H]1CC[NH2+]C1 ZINC000884533494 657363521 /nfs/dbraw/zinc/36/35/21/657363521.db2.gz JUWOKRSLRDOMNM-WCQYABFASA-N 1 0 398.326 1.923 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884562617 657364377 /nfs/dbraw/zinc/36/43/77/657364377.db2.gz FWGSCLHMPDEKBQ-ZIAGYGMSSA-N 1 0 396.285 1.427 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000884601894 657366540 /nfs/dbraw/zinc/36/65/40/657366540.db2.gz YJAFTRIFKCNSGA-FZMZJTMJSA-N 1 0 382.302 1.791 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)Oc1ccc(Br)cc1 ZINC000884621398 657367380 /nfs/dbraw/zinc/36/73/80/657367380.db2.gz HLQGVTHXVICNBM-NQBHXWOUSA-N 1 0 384.274 1.281 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc(Br)cn1)C1CCCCC1 ZINC000884700253 657373741 /nfs/dbraw/zinc/37/37/41/657373741.db2.gz OOBRNAQVTQYKSJ-CQSZACIVSA-N 1 0 383.290 1.484 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1sccc1Br)C1CCCC1 ZINC000884709972 657374417 /nfs/dbraw/zinc/37/44/17/657374417.db2.gz UZMQWAQPCFNKFC-GFCCVEGCSA-N 1 0 388.331 1.803 20 0 GDADRO O=C(NCc1ncc(Br)s1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000884725847 657376272 /nfs/dbraw/zinc/37/62/72/657376272.db2.gz AEIHVGMZSHXSQG-LPEHRKFASA-N 1 0 387.303 1.026 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1Br ZINC000884773282 657379085 /nfs/dbraw/zinc/37/90/85/657379085.db2.gz CRBFBTVILKYCCD-UHFFFAOYSA-N 1 0 382.302 1.880 20 0 GDADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCCO[C@@H]1CC1(F)F ZINC000884779200 657379366 /nfs/dbraw/zinc/37/93/66/657379366.db2.gz TVHSUAUVTSYBPH-CYBMUJFWSA-N 1 0 375.803 1.168 20 0 GDADRO O=C1CC[C@H](C[NH2+][C@@H](CO)c2ccccc2I)CCN1 ZINC000934827085 657380284 /nfs/dbraw/zinc/38/02/84/657380284.db2.gz RWAARXZXHCCCNW-FZMZJTMJSA-N 1 0 388.249 1.831 20 0 GDADRO [NH3+]CCCOCCNC(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884819168 657380667 /nfs/dbraw/zinc/38/06/67/657380667.db2.gz CGKOPUSBHPZRDG-UHFFFAOYSA-N 1 0 381.782 1.457 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OCC(F)(F)F)nc1 ZINC000884955235 657390511 /nfs/dbraw/zinc/39/05/11/657390511.db2.gz RKDIIAVSZNFMEI-RYUDHWBXSA-N 1 0 379.404 1.928 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000884969825 657393863 /nfs/dbraw/zinc/39/38/63/657393863.db2.gz RPANGRWIBQNJFA-KBAYOESNSA-N 1 0 397.313 1.714 20 0 GDADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000885009331 657401712 /nfs/dbraw/zinc/40/17/12/657401712.db2.gz QSGNRSLOPBTUOL-CRWXNKLISA-N 1 0 380.539 1.406 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000935117186 657404166 /nfs/dbraw/zinc/40/41/66/657404166.db2.gz VOZBDMYEUBEOCW-NSHDSACASA-N 1 0 388.310 1.303 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CSCC(=O)N2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935147541 657406813 /nfs/dbraw/zinc/40/68/13/657406813.db2.gz NMOPJQDFHDRUGI-WPGHFRTFSA-N 1 0 385.892 1.820 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000885024324 657407245 /nfs/dbraw/zinc/40/72/45/657407245.db2.gz YQHFYXVBOJOGPF-MRXNPFEDSA-N 1 0 381.274 1.062 20 0 GDADRO O=C(NCc1ncc(Br)s1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000885032204 657411047 /nfs/dbraw/zinc/41/10/47/657411047.db2.gz VDSWJLXMELSDMQ-CQSZACIVSA-N 1 0 387.303 1.124 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ncc(Br)s1 ZINC000885032397 657411066 /nfs/dbraw/zinc/41/10/66/657411066.db2.gz WVBFWZLBPFCAQS-SECBINFHSA-N 1 0 375.292 1.122 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(-n3cccn3)cc2)C[C@H]1[NH+](C)C ZINC000885078262 657417149 /nfs/dbraw/zinc/41/71/49/657417149.db2.gz FUGIBOBZTRBOQS-IAGOWNOFSA-N 1 0 380.539 1.680 20 0 GDADRO Cc1cnc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000885081690 657417594 /nfs/dbraw/zinc/41/75/94/657417594.db2.gz ZLCVGVWMUQOEJI-HUUCEWRRSA-N 1 0 386.949 1.690 20 0 GDADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000935270252 657418882 /nfs/dbraw/zinc/41/88/82/657418882.db2.gz TUPWTRDOWSKCPF-UHFFFAOYSA-N 1 0 393.285 1.969 20 0 GDADRO C[NH+]1CCC(CCO)(NC(=O)c2cnn3cccc(Br)c23)CC1 ZINC000935270428 657418966 /nfs/dbraw/zinc/41/89/66/657418966.db2.gz WREZSTXZSZLCEM-UHFFFAOYSA-N 1 0 381.274 1.673 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C[C@H]1C[NH3+] ZINC000885101285 657419406 /nfs/dbraw/zinc/41/94/06/657419406.db2.gz STRDCZKEYBJPOP-CHWSQXEVSA-N 1 0 394.313 1.650 20 0 GDADRO CC(C)[NH+]1CCN(CCCOC(=O)Cc2c(Br)cnn2C)CC1 ZINC000885241499 657432819 /nfs/dbraw/zinc/43/28/19/657432819.db2.gz KCNWENDXAQBZEP-UHFFFAOYSA-N 1 0 387.322 1.684 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(C=O)sc1Cl ZINC000935799374 657487530 /nfs/dbraw/zinc/48/75/30/657487530.db2.gz LQUPWLNSDBYTJQ-UHFFFAOYSA-N 1 0 387.889 1.077 20 0 GDADRO O=C(c1ccc(Br)[nH]c1=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000935814891 657489993 /nfs/dbraw/zinc/48/99/93/657489993.db2.gz ZHYHTHCHCGUHSI-GFCCVEGCSA-N 1 0 384.274 1.877 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1=O ZINC000935837298 657497304 /nfs/dbraw/zinc/49/73/04/657497304.db2.gz IMCIAGABTWSCQL-ZDUSSCGKSA-N 1 0 398.301 1.332 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)c2nccnc2c1 ZINC000935843752 657499830 /nfs/dbraw/zinc/49/98/30/657499830.db2.gz VGLVXIHRALYRHV-ZDUSSCGKSA-N 1 0 390.285 1.512 20 0 GDADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(S(N)(=O)=O)oc1Cl ZINC000935943129 657526148 /nfs/dbraw/zinc/52/61/48/657526148.db2.gz USIUNBPYMHXPFW-UHFFFAOYSA-N 1 0 377.894 1.919 20 0 GDADRO O=C(COc1ccc(Br)cn1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885893817 657585813 /nfs/dbraw/zinc/58/58/13/657585813.db2.gz XMNLQXJANYJHAM-AWEZNQCLSA-N 1 0 384.274 1.592 20 0 GDADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)c3scnc3Cl)C[C@H]2C)CC[N@@H+]1C ZINC000994084639 657606182 /nfs/dbraw/zinc/60/61/82/657606182.db2.gz KXVLODHWTNSCMP-FDYHWXHSSA-N 1 0 384.933 1.961 20 0 GDADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)c3ncc(Cl)s3)C[C@H]2C)CC[N@@H+]1C ZINC000994087155 657607443 /nfs/dbraw/zinc/60/74/43/657607443.db2.gz HUCSGQYFWHFDSJ-FDYHWXHSSA-N 1 0 384.933 1.961 20 0 GDADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1Cl)C2)C1CC1 ZINC000996595431 657626831 /nfs/dbraw/zinc/62/68/31/657626831.db2.gz DJJSJRRQYAUEOJ-VOAKCMCISA-N 1 0 382.917 1.998 20 0 GDADRO CSC[C@H](O)CN1CC[N@H+](C[C@H](O)CSC)[C@H](Cc2ccccc2)C1 ZINC000886384442 657648146 /nfs/dbraw/zinc/64/81/46/657648146.db2.gz ROKBTWYVKHSZGK-QRVBRYPASA-N 1 0 384.611 1.663 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](CO)([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000886429020 657658034 /nfs/dbraw/zinc/65/80/34/657658034.db2.gz QKSGWZCRJIMIRD-PBHICJAKSA-N 1 0 376.519 1.163 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2csc(Cl)n2)C3)CC[N@@H+]1C ZINC001000372357 657669681 /nfs/dbraw/zinc/66/96/81/657669681.db2.gz OTMQBYLZAVREAX-SSKLVLDBSA-N 1 0 382.917 1.998 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)ccc1S(C)(=O)=O ZINC000886734604 657684912 /nfs/dbraw/zinc/68/49/12/657684912.db2.gz KUWOBSUKHSTPRQ-GFCCVEGCSA-N 1 0 390.527 1.173 20 0 GDADRO OCCOCC1(O)CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000886737108 657688222 /nfs/dbraw/zinc/68/82/22/657688222.db2.gz SYYMTEYDVVXCAJ-CQSZACIVSA-N 1 0 394.295 1.569 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000886891578 657719738 /nfs/dbraw/zinc/71/97/38/657719738.db2.gz ACGHSCHPKPMKBE-LLVKDONJSA-N 1 0 376.862 1.508 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000886895426 657721976 /nfs/dbraw/zinc/72/19/76/657721976.db2.gz PRWLJGLRWGNFHA-VIFPVBQESA-N 1 0 399.257 1.981 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886896172 657721989 /nfs/dbraw/zinc/72/19/89/657721989.db2.gz AMKWQKIIDGXCIO-GFCCVEGCSA-N 1 0 396.481 1.230 20 0 GDADRO COC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)[C@H]1CCCOC1 ZINC000886908151 657727267 /nfs/dbraw/zinc/72/72/67/657727267.db2.gz OKJTYOGCLAHGDM-GXTWGEPZSA-N 1 0 396.289 1.956 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2csc(Cl)n2)C3)C1 ZINC001006178545 657730070 /nfs/dbraw/zinc/73/00/70/657730070.db2.gz SDNYDUJDQVCDBA-BYNQJWBRSA-N 1 0 382.917 2.000 20 0 GDADRO CCCNC(=O)Cc1csc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)n1 ZINC000886974028 657730462 /nfs/dbraw/zinc/73/04/62/657730462.db2.gz LKPUWTAHFDJFSI-JTQLQIEISA-N 1 0 375.445 1.578 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001020423188 657739273 /nfs/dbraw/zinc/73/92/73/657739273.db2.gz UQHPYHNTGGHEAI-JLZCTACVSA-N 1 0 377.312 1.859 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)C[C@]2(C)C1 ZINC000887939272 657850339 /nfs/dbraw/zinc/85/03/39/657850339.db2.gz XQKGCYUCZIGOOC-DYVFJYSZSA-N 1 0 380.286 1.589 20 0 GDADRO CO[C@@H](C(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccc(Br)s1 ZINC000888977708 657962712 /nfs/dbraw/zinc/96/27/12/657962712.db2.gz LJLIZZIMQCGMDS-CQSZACIVSA-N 1 0 390.347 1.904 20 0 GDADRO CN1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC[N@H+](C)CC1 ZINC000888992428 657965836 /nfs/dbraw/zinc/96/58/36/657965836.db2.gz KWTYOXZEFWHGLL-UHFFFAOYSA-N 1 0 398.301 1.540 20 0 GDADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888991337 657965858 /nfs/dbraw/zinc/96/58/58/657965858.db2.gz YTCXDZOPJQGMSG-AWEZNQCLSA-N 1 0 384.318 1.922 20 0 GDADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889773686 658036181 /nfs/dbraw/zinc/03/61/81/658036181.db2.gz KPMAYIWXBUXOIZ-NWDGAFQWSA-N 1 0 383.290 1.721 20 0 GDADRO O=C(N[C@H]1Cc2cc(Br)cnc2NC1=O)[C@@H]1CCN1C1CCCC1 ZINC000889817081 658056818 /nfs/dbraw/zinc/05/68/18/658056818.db2.gz PKMLIADUOFLISG-KBPBESRZSA-N 1 0 393.285 1.840 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889833597 658060686 /nfs/dbraw/zinc/06/06/86/658060686.db2.gz HYHGROJYQGJGNO-UHFFFAOYSA-N 1 0 391.946 1.813 20 0 GDADRO CC[NH+]1CCC(NC(=O)c2c(Br)nnn2C)(C(F)(F)F)CC1 ZINC000891212647 658202733 /nfs/dbraw/zinc/20/27/33/658202733.db2.gz YEZRARRJARIFIN-UHFFFAOYSA-N 1 0 384.200 1.724 20 0 GDADRO CC(C)([NH3+])CCNC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000891472645 658242627 /nfs/dbraw/zinc/24/26/27/658242627.db2.gz OFLRTTDMBVSEPT-UHFFFAOYSA-N 1 0 385.306 1.996 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000891474016 658243298 /nfs/dbraw/zinc/24/32/98/658243298.db2.gz QKTNFBWZSVUZII-OAHLLOKOSA-N 1 0 397.317 1.962 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000891548499 658249158 /nfs/dbraw/zinc/24/91/58/658249158.db2.gz HJPVXRGQZMOOMJ-CYBMUJFWSA-N 1 0 382.477 1.034 20 0 GDADRO C[NH+](C)C1(CNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CCCCCC1 ZINC000891589155 658253046 /nfs/dbraw/zinc/25/30/46/658253046.db2.gz KRQVUXGPUKJCPR-OAHLLOKOSA-N 1 0 375.535 1.096 20 0 GDADRO C[C@]1(Br)C[C@H]1C[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000891625883 658256588 /nfs/dbraw/zinc/25/65/88/658256588.db2.gz FCCABYZSQNCLEQ-YOEHRIQHSA-N 1 0 386.334 1.596 20 0 GDADRO [NH3+][C@@H]1CCCCCN(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000891665611 658262571 /nfs/dbraw/zinc/26/25/71/658262571.db2.gz VDRMGTMXRZJNPL-LLVKDONJSA-N 1 0 386.440 1.213 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000891697417 658266433 /nfs/dbraw/zinc/26/64/33/658266433.db2.gz DXGIIEKUBDRBRU-ZDUSSCGKSA-N 1 0 388.559 1.412 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c(C)s1 ZINC000891698300 658266477 /nfs/dbraw/zinc/26/64/77/658266477.db2.gz ZKPPYQDFVLVQBN-HOCLYGCPSA-N 1 0 386.543 1.227 20 0 GDADRO CN(CC(C)(C)C[NH+](C)C)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000891736140 658268404 /nfs/dbraw/zinc/26/84/04/658268404.db2.gz HWYQQEANEMPOMM-UHFFFAOYSA-N 1 0 376.567 1.468 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000892142135 658299206 /nfs/dbraw/zinc/29/92/06/658299206.db2.gz LPZNANZNVQXPEF-RYUDHWBXSA-N 1 0 383.290 1.539 20 0 GDADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)NC[C@H]1C[NH2+]CCO1 ZINC000892190296 658303042 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C[NH+](C)C[C@H]1NC(=O)N(c2ccnn2Cc2ccccc2Br)C1=O ZINC000900213019 659092310 /nfs/dbraw/zinc/09/23/10/659092310.db2.gz NQCCUHCYEFRYRM-CYBMUJFWSA-N 1 0 392.257 1.680 20 0 GDADRO COCC[NH+]1CCC(NC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900383330 659103512 /nfs/dbraw/zinc/10/35/12/659103512.db2.gz SDXNVBGUHXTOJH-UHFFFAOYSA-N 1 0 382.262 1.332 20 0 GDADRO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900441825 659108115 /nfs/dbraw/zinc/10/81/15/659108115.db2.gz ODSONULACCLZOO-NWDGAFQWSA-N 1 0 387.267 1.098 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900501548 659115295 /nfs/dbraw/zinc/11/52/95/659115295.db2.gz PLWLTCXESWJSNO-SUMWQHHRSA-N 1 0 398.301 1.657 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N(C)C2CC[NH+](CC)CC2)cs1)C(N)=O ZINC000900517719 659117777 /nfs/dbraw/zinc/11/77/77/659117777.db2.gz KBFKSKDKBIQROR-CQSZACIVSA-N 1 0 384.571 1.984 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C23CC[NH+](CC2)C3)s1 ZINC000900576222 659123079 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CCn1c(Br)ncc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000901105661 659190169 /nfs/dbraw/zinc/19/01/69/659190169.db2.gz JAPRSAICROOVAG-LBPRGKRZSA-N 1 0 398.305 1.044 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000901162257 659198464 /nfs/dbraw/zinc/19/84/64/659198464.db2.gz LOIZXWCENRBINZ-SGMGOOAPSA-N 1 0 385.306 1.989 20 0 GDADRO C[NH+]1CCC(CCO)(NC(=O)COCCc2ccc(Br)cc2)CC1 ZINC000901346852 659211549 /nfs/dbraw/zinc/21/15/49/659211549.db2.gz NHLYNYXRDGTSCJ-UHFFFAOYSA-N 1 0 399.329 1.971 20 0 GDADRO O=C([O-])C[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000902163073 659247193 /nfs/dbraw/zinc/24/71/93/659247193.db2.gz WWEBJUNQUAUVOA-UHFFFAOYSA-N 1 0 384.274 1.916 20 0 GDADRO CCOC(=O)Cc1csc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)n1 ZINC000902904727 659283370 /nfs/dbraw/zinc/28/33/70/659283370.db2.gz LOQGLJJIFJIZAL-CHWSQXEVSA-N 1 0 384.527 1.950 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903179834 659299436 /nfs/dbraw/zinc/29/94/36/659299436.db2.gz ULRCZYAVKKLIOY-CYBMUJFWSA-N 1 0 376.519 1.616 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)CC(C)(C)C1 ZINC000903226286 659305114 /nfs/dbraw/zinc/30/51/14/659305114.db2.gz KGNQSKNKEADODR-ZIAGYGMSSA-N 1 0 378.535 1.407 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000903227787 659306260 /nfs/dbraw/zinc/30/62/60/659306260.db2.gz UVDUFKSURJLXSO-WBVHZDCISA-N 1 0 387.571 1.544 20 0 GDADRO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC1 ZINC000903230154 659308314 /nfs/dbraw/zinc/30/83/14/659308314.db2.gz WGUUAKWCAMCYKD-GOEBONIOSA-N 1 0 379.592 1.677 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000903290872 659312184 /nfs/dbraw/zinc/31/21/84/659312184.db2.gz IJZLISNHXREYEM-CYBMUJFWSA-N 1 0 375.516 1.134 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)Cc1cccc(F)c1Br ZINC000903513210 659322399 /nfs/dbraw/zinc/32/23/99/659322399.db2.gz XXYDMEQFEVREAI-UHFFFAOYSA-N 1 0 394.310 1.255 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1F ZINC000903512904 659322428 /nfs/dbraw/zinc/32/24/28/659322428.db2.gz CDSSJCQHWXIZNM-WCBMZHEXSA-N 1 0 381.267 1.955 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903518583 659326163 /nfs/dbraw/zinc/32/61/63/659326163.db2.gz VPVWEBVSTYKEFK-WDEREUQCSA-N 1 0 391.287 1.867 20 0 GDADRO O=S(=O)(Cc1cccc(Cl)c1Br)NC[C@@H]1C[NH2+]CCO1 ZINC000903521540 659327388 /nfs/dbraw/zinc/32/73/88/659327388.db2.gz ABWHLSZKAGKEGT-JTQLQIEISA-N 1 0 383.695 1.510 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903536700 659332334 /nfs/dbraw/zinc/33/23/34/659332334.db2.gz HOXBKSYVLIHZFL-YOEHRIQHSA-N 1 0 386.539 1.599 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])c(Cl)s1 ZINC000903537114 659332925 /nfs/dbraw/zinc/33/29/25/659332925.db2.gz NUXTUHSPUHBNGX-RNCFNFMXSA-N 1 0 398.959 1.697 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000903537544 659332949 /nfs/dbraw/zinc/33/29/49/659332949.db2.gz WIQXANMITCSSNT-FZMZJTMJSA-N 1 0 379.404 1.915 20 0 GDADRO Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903540924 659333754 /nfs/dbraw/zinc/33/37/54/659333754.db2.gz QOOJVIZGYJYQMY-KBPBESRZSA-N 1 0 382.452 1.256 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1c[nH]c2nccc(Cl)c12 ZINC000903544666 659335635 /nfs/dbraw/zinc/33/56/35/659335635.db2.gz DTINYABVXGOFRB-NSHDSACASA-N 1 0 384.889 1.653 20 0 GDADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CC[NH2+]CCC12CCOCC2 ZINC000903547813 659337131 /nfs/dbraw/zinc/33/71/31/659337131.db2.gz TWWYNNFYDJYTPE-UHFFFAOYSA-N 1 0 390.918 1.582 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000903554487 659339843 /nfs/dbraw/zinc/33/98/43/659339843.db2.gz RWZMUKCIOHSINK-CYBMUJFWSA-N 1 0 376.320 1.791 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC2(C)C)ccc1Br ZINC000903555060 659340009 /nfs/dbraw/zinc/34/00/09/659340009.db2.gz ZFGQGSXZNOVBIK-CYBMUJFWSA-N 1 0 375.288 1.928 20 0 GDADRO CCOCCOc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903570636 659344708 /nfs/dbraw/zinc/34/47/08/659344708.db2.gz UWMZXNLTWKBLGF-ZIAGYGMSSA-N 1 0 382.404 1.612 20 0 GDADRO Cn1c(Cl)ncc1S(=O)(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903573744 659346027 /nfs/dbraw/zinc/34/60/27/659346027.db2.gz LONORGDTRXPQRU-MLGOLLRUSA-N 1 0 382.873 1.608 20 0 GDADRO Cn1cc(S(=O)(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1Cl ZINC000903573694 659346135 /nfs/dbraw/zinc/34/61/35/659346135.db2.gz LBWTURACVCPXSU-WBMJQRKESA-N 1 0 382.873 1.608 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC[C@H]1C(F)(F)F ZINC000903578277 659349302 /nfs/dbraw/zinc/34/93/02/659349302.db2.gz FBCGMRAZDQKXGK-RKDXNWHRSA-N 1 0 382.795 1.888 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C2 ZINC000903578953 659349841 /nfs/dbraw/zinc/34/98/41/659349841.db2.gz HCAVMZZXIWHPRK-DCAQKATOSA-N 1 0 380.438 1.183 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2cncc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000903579272 659350117 /nfs/dbraw/zinc/35/01/17/659350117.db2.gz MWWQRWVMEOHABL-UWVGGRQHSA-N 1 0 388.209 1.744 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903579703 659350167 /nfs/dbraw/zinc/35/01/67/659350167.db2.gz PBYWBJFDQWIHCR-QWHCGFSZSA-N 1 0 380.388 1.764 20 0 GDADRO CN(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903579551 659350172 /nfs/dbraw/zinc/35/01/72/659350172.db2.gz OWBDSEBXMMZGFM-CHWSQXEVSA-N 1 0 379.404 1.289 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000903579928 659350385 /nfs/dbraw/zinc/35/03/85/659350385.db2.gz REMKEZIOFFUTFH-RKDXNWHRSA-N 1 0 380.314 1.346 20 0 GDADRO CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903579843 659350565 /nfs/dbraw/zinc/35/05/65/659350565.db2.gz QSRZCNRQALDZNQ-STQMWFEESA-N 1 0 379.404 1.935 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903580098 659350894 /nfs/dbraw/zinc/35/08/94/659350894.db2.gz RZJYLVVNTNXMJV-KGLIPLIRSA-N 1 0 382.404 1.612 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC[C@@H]1C(F)(F)F ZINC000903580549 659351483 /nfs/dbraw/zinc/35/14/83/659351483.db2.gz VSFLUTZMNUQJQS-QWHCGFSZSA-N 1 0 398.428 1.015 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)CCc2noc3ccccc32)CC[C@H]1C(F)(F)F ZINC000903581443 659351789 /nfs/dbraw/zinc/35/17/89/659351789.db2.gz JLXHSAXWWKXRGM-NEPJUHHUSA-N 1 0 377.388 1.912 20 0 GDADRO CCc1nc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cn1CC1CC1 ZINC000903581472 659351848 /nfs/dbraw/zinc/35/18/48/659351848.db2.gz MNCLGYQOUSICMW-NWDGAFQWSA-N 1 0 380.436 1.756 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1Br ZINC000903581210 659351850 /nfs/dbraw/zinc/35/18/50/659351850.db2.gz BKKLTVTWMRCTFP-RQJHMYQMSA-N 1 0 391.213 1.083 20 0 GDADRO COc1cc(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)c(OC)cc1Br ZINC000903586397 659354573 /nfs/dbraw/zinc/35/45/73/659354573.db2.gz FWCMFDPIEMRNAT-ZDUSSCGKSA-N 1 0 393.303 1.824 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc1Cl ZINC000903587745 659354987 /nfs/dbraw/zinc/35/49/87/659354987.db2.gz AVYANDXYIJCHNP-BMIGLBTASA-N 1 0 375.853 1.939 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903587636 659355037 /nfs/dbraw/zinc/35/50/37/659355037.db2.gz YREJPGWYYAIOLB-CYBMUJFWSA-N 1 0 377.304 1.957 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1F ZINC000903593307 659357255 /nfs/dbraw/zinc/35/72/55/659357255.db2.gz YRRQFSHXUCFHEY-HNNXBMFYSA-N 1 0 376.837 1.782 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1CCC[C@]12CC[NH2+]C2 ZINC000903593841 659357607 /nfs/dbraw/zinc/35/76/07/659357607.db2.gz XQTADMQEESUDBZ-CYBMUJFWSA-N 1 0 398.428 1.497 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@]34CCC[C@H]3C[NH2+]C4)c(Cl)cc21 ZINC000903609360 659361618 /nfs/dbraw/zinc/36/16/18/659361618.db2.gz ALBYAOWOTCCIPC-GUYCJALGSA-N 1 0 383.901 1.669 20 0 GDADRO CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903758980 659379126 /nfs/dbraw/zinc/37/91/26/659379126.db2.gz MANJLBQTHCCQJE-LOWDOPEQSA-N 1 0 381.464 1.857 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903792340 659380757 /nfs/dbraw/zinc/38/07/57/659380757.db2.gz PXXRKZWANIMTAI-ZIAGYGMSSA-N 1 0 398.301 1.137 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903802764 659381788 /nfs/dbraw/zinc/38/17/88/659381788.db2.gz XEAYFOZQIHWBIA-WFASDCNBSA-N 1 0 395.301 1.576 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000903881805 659388175 /nfs/dbraw/zinc/38/81/75/659388175.db2.gz IYFLFOZRNXJIQS-UONOGXRCSA-N 1 0 377.254 1.248 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000903969315 659390729 /nfs/dbraw/zinc/39/07/29/659390729.db2.gz WOIJYIUKWFDVKR-NSHDSACASA-N 1 0 381.723 1.969 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1ccc(Cl)cc1Br ZINC000903968919 659390943 /nfs/dbraw/zinc/39/09/43/659390943.db2.gz QIDXLNTWLNUYRM-LBPRGKRZSA-N 1 0 381.723 1.969 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000903969222 659390964 /nfs/dbraw/zinc/39/09/64/659390964.db2.gz CZJDRGYYHFARAF-GOSISDBHSA-N 1 0 385.961 1.671 20 0 GDADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CNCCS2(=O)=O)cc1Cl ZINC000903969653 659391266 /nfs/dbraw/zinc/39/12/66/659391266.db2.gz IDDOMIYHVOKUOC-ZFWWWQNUSA-N 1 0 387.933 1.732 20 0 GDADRO [NH3+][C@]1(CO)CCCN(Cc2c(F)ccc(I)c2F)C1 ZINC000904406280 659400235 /nfs/dbraw/zinc/40/02/35/659400235.db2.gz DVXYDMWFWGKOCP-CYBMUJFWSA-N 1 0 382.192 1.855 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904983443 659415208 /nfs/dbraw/zinc/41/52/08/659415208.db2.gz MDILFTKMQKRIOJ-UHFFFAOYSA-N 1 0 385.917 1.731 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905001406 659416236 /nfs/dbraw/zinc/41/62/36/659416236.db2.gz OLZKTYYRLLZLBM-DYVFJYSZSA-N 1 0 380.286 1.747 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905006536 659416853 /nfs/dbraw/zinc/41/68/53/659416853.db2.gz IVULKBQBSJESPU-ABAIWWIYSA-N 1 0 386.315 1.809 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CCC1(O)CCC1)c1cccc(Cl)c1 ZINC000905037799 659418105 /nfs/dbraw/zinc/41/81/05/659418105.db2.gz MJLRHAQIRPAJHO-AWEZNQCLSA-N 1 0 376.906 1.264 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CC1(O)CCCCC1)c1cccc(Cl)c1 ZINC000905039655 659418676 /nfs/dbraw/zinc/41/86/76/659418676.db2.gz WMMPOCXGRBXQPN-HNNXBMFYSA-N 1 0 390.933 1.654 20 0 GDADRO O[C@@H](C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)C1(O)CCOCC1 ZINC000905067696 659420305 /nfs/dbraw/zinc/42/03/05/659420305.db2.gz HPMWILQOXOULIW-PBHICJAKSA-N 1 0 399.329 1.767 20 0 GDADRO C[C@H](COCC(F)(F)F)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905067187 659420325 /nfs/dbraw/zinc/42/03/25/659420325.db2.gz VOALTQJFKQGHMH-VXGBXAGGSA-N 1 0 390.468 1.545 20 0 GDADRO C[S@@](=O)CC[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905099236 659423661 /nfs/dbraw/zinc/42/36/61/659423661.db2.gz ZOYTYVWBDHWMQQ-DLUDVSRJSA-N 1 0 378.416 1.135 20 0 GDADRO CC[C@@](O)(C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(F)(F)F ZINC000905108706 659424846 /nfs/dbraw/zinc/42/48/46/659424846.db2.gz HSYCFFARVKMLSB-SNVBAGLBSA-N 1 0 386.358 1.841 20 0 GDADRO CSC1(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCOCC1 ZINC000905132562 659426168 /nfs/dbraw/zinc/42/61/68/659426168.db2.gz BHVNPVHMHNIZJS-AWEZNQCLSA-N 1 0 394.603 1.490 20 0 GDADRO CN(C)[C@]1(C[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCSC1 ZINC000905146065 659427300 /nfs/dbraw/zinc/42/73/00/659427300.db2.gz FBPADJBKACTMHF-HOCLYGCPSA-N 1 0 393.619 1.015 20 0 GDADRO CC[C@](O)(C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)C(F)(F)F ZINC000905246899 659436700 /nfs/dbraw/zinc/43/67/00/659436700.db2.gz KAFKBMSJJMZJST-LBPRGKRZSA-N 1 0 376.347 1.536 20 0 GDADRO O[C@H](C[NH2+]CCc1c[nH]c2cccc(Br)c12)C[C@]1(O)CCOC1 ZINC000905260837 659438313 /nfs/dbraw/zinc/43/83/13/659438313.db2.gz NSXAYDWWVBYQLW-SUMWQHHRSA-N 1 0 383.286 1.965 20 0 GDADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@H](O)C2(O)CCOCC2)c1 ZINC000905284298 659439720 /nfs/dbraw/zinc/43/97/20/659439720.db2.gz ATHHVKWQCVHSBO-HNNXBMFYSA-N 1 0 377.890 1.126 20 0 GDADRO COc1ccc(CNS(=O)(=O)CC2CC[NH2+]CC2)cc1Br ZINC000905338916 659444074 /nfs/dbraw/zinc/44/40/74/659444074.db2.gz CCQFQOOOZKOOLF-UHFFFAOYSA-N 1 0 377.304 1.877 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1COc2cccc(Br)c2C1 ZINC000905360528 659447176 /nfs/dbraw/zinc/44/71/76/659447176.db2.gz VGJZBFUTNDIZQO-LBPRGKRZSA-N 1 0 389.315 1.672 20 0 GDADRO OC[C@H](C[NH2+]C[C@H](O)C[C@]1(O)CCOC1)Cc1cccc(Br)c1 ZINC000905365523 659448260 /nfs/dbraw/zinc/44/82/60/659448260.db2.gz JZIWYZKUZCAPNX-USXIJHARSA-N 1 0 388.302 1.092 20 0 GDADRO O[C@@H](C[NH2+]CCc1ccc(I)cc1)C[C@@]1(O)CCOC1 ZINC000905380780 659450003 /nfs/dbraw/zinc/45/00/03/659450003.db2.gz JLGMGNJYKCWYFN-CABCVRRESA-N 1 0 391.249 1.326 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)CCC1 ZINC000905406176 659451235 /nfs/dbraw/zinc/45/12/35/659451235.db2.gz WXSSMAITMJJIPK-RBSFLKMASA-N 1 0 376.563 1.517 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@]1(C)CC1(C)C ZINC000905424524 659451891 /nfs/dbraw/zinc/45/18/91/659451891.db2.gz IMDUHTKHGXXCHU-QGZVFWFLSA-N 1 0 388.555 1.736 20 0 GDADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000905433485 659453465 /nfs/dbraw/zinc/45/34/65/659453465.db2.gz XHJJVWGWTGYKJJ-ZFWWWQNUSA-N 1 0 392.315 1.746 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000905448644 659453994 /nfs/dbraw/zinc/45/39/94/659453994.db2.gz YESJFGICJKBCSC-WDEREUQCSA-N 1 0 377.331 1.272 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCS(=O)(=O)C1 ZINC000905559123 659465306 /nfs/dbraw/zinc/46/53/06/659465306.db2.gz VCSXUFNVJKKZOK-ZIAGYGMSSA-N 1 0 396.278 1.415 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000905568625 659466311 /nfs/dbraw/zinc/46/63/11/659466311.db2.gz UYIFXTMGSSAKGK-NWDGAFQWSA-N 1 0 389.436 1.833 20 0 GDADRO CSCCNC(=S)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000905622127 659470179 /nfs/dbraw/zinc/47/01/79/659470179.db2.gz HBQDMPUUHMTPIT-UHFFFAOYSA-N 1 0 376.592 1.803 20 0 GDADRO O=c1n(CN2CC[C@H]([NH+]3CCCC3)C2)nnn1-c1ccc(Br)cc1 ZINC000905669472 659473880 /nfs/dbraw/zinc/47/38/80/659473880.db2.gz YAAQVDRHHXCHIQ-HNNXBMFYSA-N 1 0 393.289 1.319 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CCN2CCC(C)(C)C2)CCC1 ZINC000905675977 659474975 /nfs/dbraw/zinc/47/49/75/659474975.db2.gz BDSHNUZSMFNMBQ-HNNXBMFYSA-N 1 0 375.579 1.309 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]C[C@H]2CCCC(C)(C)O2)CCC1 ZINC000905680851 659475551 /nfs/dbraw/zinc/47/55/51/659475551.db2.gz GBEDKIWUHDGVQY-HUUCEWRRSA-N 1 0 376.563 1.925 20 0 GDADRO CN(c1cccc(C[NH2+]C[C@@H](O)COCc2cccs2)c1)S(C)(=O)=O ZINC000905698047 659477210 /nfs/dbraw/zinc/47/72/10/659477210.db2.gz FMJPWMVVBSORAM-MRXNPFEDSA-N 1 0 384.523 1.811 20 0 GDADRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000905702857 659477543 /nfs/dbraw/zinc/47/75/43/659477543.db2.gz RIFXPLVXMCARRZ-AEGPPILISA-N 1 0 387.274 1.521 20 0 GDADRO NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000905791381 659482357 /nfs/dbraw/zinc/48/23/57/659482357.db2.gz ATCOIAUWKZSCEN-ZIAGYGMSSA-N 1 0 378.416 1.659 20 0 GDADRO CC[S@](C)(=O)=NS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000906068754 659516842 /nfs/dbraw/zinc/51/68/42/659516842.db2.gz XPOAYFSSFMFSKF-QHCPKHFHSA-N 1 0 379.504 1.410 20 0 GDADRO Cn1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(I)n1 ZINC000906618831 659561498 /nfs/dbraw/zinc/56/14/98/659561498.db2.gz LYEVOJMPHHCXFC-NSHDSACASA-N 1 0 388.253 1.725 20 0 GDADRO CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000906654618 659565472 /nfs/dbraw/zinc/56/54/72/659565472.db2.gz KZYSBXSUURNQJF-OLZOCXBDSA-N 1 0 386.751 1.735 20 0 GDADRO O=C(NCC[NH+]1CCSCC1)c1cc(Br)cn(C2CC2)c1=O ZINC000906659782 659566232 /nfs/dbraw/zinc/56/62/32/659566232.db2.gz JMLJJOKGAZXTGK-UHFFFAOYSA-N 1 0 386.315 1.724 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCOC)c(Br)c1 ZINC000906677745 659568998 /nfs/dbraw/zinc/56/89/98/659568998.db2.gz HFVLTOUEOFYFOF-SNVBAGLBSA-N 1 0 388.262 1.137 20 0 GDADRO C[C@@H](CNC(=O)c1nscc1I)N1CC[NH+](C)CC1 ZINC000906683090 659570239 /nfs/dbraw/zinc/57/02/39/659570239.db2.gz JOPADNZBNPJMEB-VIFPVBQESA-N 1 0 394.282 1.113 20 0 GDADRO CO[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000906682960 659570297 /nfs/dbraw/zinc/57/02/97/659570297.db2.gz IRYGUPOFLJCFHN-SMDDNHRTSA-N 1 0 390.347 1.950 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C1 ZINC000906687437 659571466 /nfs/dbraw/zinc/57/14/66/659571466.db2.gz XHNXTUQQPVDMQL-MRXNPFEDSA-N 1 0 381.889 1.782 20 0 GDADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C1 ZINC000906691677 659571990 /nfs/dbraw/zinc/57/19/90/659571990.db2.gz SVOKPDGDACFBHX-LLVKDONJSA-N 1 0 381.889 1.782 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000906701613 659573491 /nfs/dbraw/zinc/57/34/91/659573491.db2.gz PUMKRXLRSYNOIF-NSHDSACASA-N 1 0 381.274 1.774 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)cnc(Cl)c1Br ZINC000906704136 659573587 /nfs/dbraw/zinc/57/35/87/659573587.db2.gz FFGKCLHQZYYWTK-SECBINFHSA-N 1 0 389.681 1.859 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906726443 659576341 /nfs/dbraw/zinc/57/63/41/659576341.db2.gz FCKKEFOOEFYBOY-IVZWLZJFSA-N 1 0 379.873 1.750 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906727763 659576688 /nfs/dbraw/zinc/57/66/88/659576688.db2.gz RRPZQCFELAXLQA-HOCOFYGGSA-N 1 0 386.235 1.728 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1Br ZINC000906727042 659576861 /nfs/dbraw/zinc/57/68/61/659576861.db2.gz KFDWYYACIACOCZ-UBHAPETDSA-N 1 0 396.241 1.183 20 0 GDADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc3cc(Br)cnc32)C1 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ZINC001164916759 721791197 /nfs/dbraw/zinc/79/11/97/721791197.db2.gz TVYZBLKMTSATQK-OAQYLSRUSA-N 1 0 383.496 1.352 20 0 GDADRO C[NH+]1CCN(c2ccc(N3CC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)nn2)CC1 ZINC001164916085 721805021 /nfs/dbraw/zinc/80/50/21/721805021.db2.gz MZHMGWIKJQFRMK-GHTZIAJQSA-N 1 0 396.495 1.440 20 0 GDADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)COc1cncc(Cl)n1 ZINC001164933285 721881297 /nfs/dbraw/zinc/88/12/97/721881297.db2.gz LKFQHJYWSFNWGW-STQMWFEESA-N 1 0 375.851 1.812 20 0 GDADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[NH+](C[C@@H]3CCCO3)CC2)[nH]1 ZINC001165037066 721913199 /nfs/dbraw/zinc/91/31/99/721913199.db2.gz GGGXZKVAZFILSN-NSHDSACASA-N 1 0 379.848 1.699 20 0 GDADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[NH+](C[C@H]3CCCO3)CC2)n1C ZINC001165037819 721916781 /nfs/dbraw/zinc/91/67/81/721916781.db2.gz KFUPNUPOPGYUGP-GFCCVEGCSA-N 1 0 393.875 1.709 20 0 GDADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CNC(=O)CN3C(C)=O)nc1 ZINC001164972295 722079636 /nfs/dbraw/zinc/07/96/36/722079636.db2.gz 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C[NH+](C)CCOCc1ncn2c1CN(c1ncc(F)cc1C(N)=O)CCC2 ZINC001165002266 722255427 /nfs/dbraw/zinc/25/54/27/722255427.db2.gz MNSBUGWDLYSIRQ-UHFFFAOYSA-N 1 0 376.436 1.005 20 0 GDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ncc3c(n1)CC[NH2+]C3)C2 ZINC001165003750 722261450 /nfs/dbraw/zinc/26/14/50/722261450.db2.gz KDRHMHBRZRONBC-NRFANRHFSA-N 1 0 396.470 1.189 20 0 GDADRO O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737876730 945142420 /nfs/dbraw/zinc/14/24/20/945142420.db2.gz GWKPXOLBSGEKFC-ZDUSSCGKSA-N 1 0 389.891 1.876 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738347025 945262358 /nfs/dbraw/zinc/26/23/58/945262358.db2.gz CUIKNUUYIBGJBX-ZDUSSCGKSA-N 1 0 380.449 1.255 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000819877014 945303330 /nfs/dbraw/zinc/30/33/30/945303330.db2.gz NCXLXWMNLWMDKB-KBPBESRZSA-N 1 0 380.456 1.492 20 0 GDADRO CC(C)N1CC[C@@H]([NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)C1=O 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/nfs/dbraw/zinc/47/74/97/945477497.db2.gz INHFYLPDXANZAN-UXLLHSPISA-N 1 0 385.472 1.299 20 0 GDADRO Cc1cc(NC2CC(N(C)C(=O)[C@@]3(C)CCCOC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571265787 945521891 /nfs/dbraw/zinc/52/18/91/945521891.db2.gz KHWKVZXKIULXPN-MHVYXZCWSA-N 1 0 385.472 1.210 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCCOC1 ZINC001571266537 945543902 /nfs/dbraw/zinc/54/39/02/945543902.db2.gz TVEXCYSJSQIPEE-XKQJLSEDSA-N 1 0 385.472 1.300 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CCCOC1 ZINC001571266538 945544629 /nfs/dbraw/zinc/54/46/29/945544629.db2.gz TVEXCYSJSQIPEE-XYPHTWIQSA-N 1 0 385.472 1.300 20 0 GDADRO Cc1cc(NC[C@H]2C[C@H](NC(=O)C[C@H]3CCCCO3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571266821 945555397 /nfs/dbraw/zinc/55/53/97/945555397.db2.gz ZRBVYYKMGAFLGI-RBSFLKMASA-N 1 0 385.472 1.258 20 0 GDADRO Cc1nonc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571268627 945600126 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JUVDIVIUXNZTMH-KRWDZBQOSA-N 1 0 386.485 1.663 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821189664 945651325 /nfs/dbraw/zinc/65/13/25/945651325.db2.gz RJYLCTPJBSHXBV-QGZVFWFLSA-N 1 0 387.488 1.509 20 0 GDADRO CCn1cc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001571272340 945659813 /nfs/dbraw/zinc/65/98/13/945659813.db2.gz SDWNETDAPUVORZ-CYBMUJFWSA-N 1 0 386.485 1.078 20 0 GDADRO Cc1ncsc1CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571272308 945660156 /nfs/dbraw/zinc/66/01/56/945660156.db2.gz RFWMKELPAKCYTG-LBPRGKRZSA-N 1 0 386.485 1.349 20 0 GDADRO Cc1nsc(C)c1C[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571272499 945664176 /nfs/dbraw/zinc/66/41/76/945664176.db2.gz VBAIMYYHYFMLJQ-UHFFFAOYSA-N 1 0 386.485 1.663 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C)c(C)s1 ZINC001571272670 945668130 /nfs/dbraw/zinc/66/81/30/945668130.db2.gz YDZJENDUBLZDOU-TVQRCGJNSA-N 1 0 386.485 1.661 20 0 GDADRO Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)s1 ZINC001571272785 945671989 /nfs/dbraw/zinc/67/19/89/945671989.db2.gz ZYJKGDMBBSGZJM-JOCQHMNTSA-N 1 0 386.485 1.791 20 0 GDADRO Cn1cc(Cl)c(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571274960 945703680 /nfs/dbraw/zinc/70/36/80/945703680.db2.gz NKXCTEBGRNULTK-CYBMUJFWSA-N 1 0 386.847 1.258 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821598997 945735373 /nfs/dbraw/zinc/73/53/73/945735373.db2.gz BFCALZNORHXGDX-MRXNPFEDSA-N 1 0 392.529 1.447 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821598996 945735597 /nfs/dbraw/zinc/73/55/97/945735597.db2.gz BFCALZNORHXGDX-INIZCTEOSA-N 1 0 392.529 1.447 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@]2(C1)CN(C(C)=O)C[C@@H](C)O2 ZINC001571278375 945750495 /nfs/dbraw/zinc/75/04/95/945750495.db2.gz MZKBRUXEQUDFGX-YJYMSZOUSA-N 1 0 386.456 1.087 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccsn1 ZINC001571279786 945789267 /nfs/dbraw/zinc/78/92/67/945789267.db2.gz VSAYOEANZMZNGI-QMTHXVAHSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]([NH2+]CC1CCOCC1)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571281046 945795337 /nfs/dbraw/zinc/79/53/37/945795337.db2.gz BJZWWDWAQBDNFL-CXAGYDPISA-N 1 0 387.488 1.594 20 0 GDADRO C[C@@H]1C[C@H](C[NH+]2CCC(N(C)C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)CCO1 ZINC001571281131 945797625 /nfs/dbraw/zinc/79/76/25/945797625.db2.gz CMYSAGWSDBNIHH-ZIAGYGMSSA-N 1 0 387.488 1.546 20 0 GDADRO CCc1ncoc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281060 945799095 /nfs/dbraw/zinc/79/90/95/945799095.db2.gz BMRZLBYBMKIHAN-LLVKDONJSA-N 1 0 387.469 1.825 20 0 GDADRO CC1(C)CO[C@H](C[NH2+]C[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571281215 945801531 /nfs/dbraw/zinc/80/15/31/945801531.db2.gz FRPFXFYGYRUNPE-GJZGRUSLSA-N 1 0 387.488 1.594 20 0 GDADRO CC[C@H]1CN(C(=O)c2cocn2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571281670 945809223 /nfs/dbraw/zinc/80/92/23/945809223.db2.gz LFHHDSDPRQWGJD-AAEUAGOBSA-N 1 0 387.469 1.947 20 0 GDADRO C[C@@H]([NH2+]Cc1nncs1)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571281881 945819750 /nfs/dbraw/zinc/81/97/50/945819750.db2.gz PJPARBOCAHBLCM-GHMZBOCLSA-N 1 0 387.473 1.077 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001571281923 945821056 /nfs/dbraw/zinc/82/10/56/945821056.db2.gz PTOCSXKHANVIBQ-NEPJUHHUSA-N 1 0 387.469 1.486 20 0 GDADRO C[C@@H]([NH2+]Cc1nncs1)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571281883 945821603 /nfs/dbraw/zinc/82/16/03/945821603.db2.gz PJPARBOCAHBLCM-MNOVXSKESA-N 1 0 387.473 1.077 20 0 GDADRO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC001571282558 945851293 /nfs/dbraw/zinc/85/12/93/945851293.db2.gz KPBXKNBFFXLYRJ-AWEZNQCLSA-N 1 0 387.463 1.529 20 0 GDADRO C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571282736 945858944 /nfs/dbraw/zinc/85/89/44/945858944.db2.gz PHCDZODICNSYOW-QMTHXVAHSA-N 1 0 387.444 1.713 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571283133 945876155 /nfs/dbraw/zinc/87/61/55/945876155.db2.gz ZXKMQWOBJFLLPC-CJNGLKHVSA-N 1 0 387.463 1.575 20 0 GDADRO O=C(NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ccsn1 ZINC001571283099 945876446 /nfs/dbraw/zinc/87/64/46/945876446.db2.gz ZCCMELBVBAVHJZ-UHFFFAOYSA-N 1 0 387.444 1.761 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)ns1 ZINC001571283091 945877758 /nfs/dbraw/zinc/87/77/58/945877758.db2.gz YZCFDSUVVWWMKI-HAQNSBGRSA-N 1 0 387.444 1.821 20 0 GDADRO CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC001571284703 945905857 /nfs/dbraw/zinc/90/58/57/945905857.db2.gz UFICATSETQECGN-IUDNXUCKSA-N 1 0 387.488 1.594 20 0 GDADRO C[C@@H]1COCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287210 945968976 /nfs/dbraw/zinc/96/89/76/945968976.db2.gz ARTNLTBDYBDAMO-MPESAESLSA-N 1 0 388.447 1.415 20 0 GDADRO O=C(C[C@@H]1CCCOC1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287605 945974998 /nfs/dbraw/zinc/97/49/98/945974998.db2.gz FWNTZJOPAXWSNJ-XJKSGUPXSA-N 1 0 388.447 1.513 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001571287831 945978010 /nfs/dbraw/zinc/97/80/10/945978010.db2.gz IZJLAWFBFDNUDP-WMLDXEAASA-N 1 0 388.447 1.511 20 0 GDADRO CCO[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571287854 945980139 /nfs/dbraw/zinc/98/01/39/945980139.db2.gz JOCJRVBFMSCTFS-DLBZAZTESA-N 1 0 388.447 1.511 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001571288334 945985695 /nfs/dbraw/zinc/98/56/95/945985695.db2.gz OJSSKIORNIXNFX-IFXJQAMLSA-N 1 0 388.447 1.513 20 0 GDADRO COCC(=O)N1CCC[C@]2(CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571288764 945993059 /nfs/dbraw/zinc/99/30/59/945993059.db2.gz SZSJVWVXHOLJNQ-LJQANCHMSA-N 1 0 388.447 1.467 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCCCO1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571289143 945995958 /nfs/dbraw/zinc/99/59/58/945995958.db2.gz VVIFCNHRCATLID-SJCJKPOMSA-N 1 0 388.447 1.511 20 0 GDADRO COc1cc(C[NH2+]C2CC(N(C)C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)sn1 ZINC001571289863 946020427 /nfs/dbraw/zinc/02/04/27/946020427.db2.gz OHYUWVXJJCYWIC-UHFFFAOYSA-N 1 0 388.457 1.053 20 0 GDADRO O=C(c1ocnc1C(F)F)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571291298 946076328 /nfs/dbraw/zinc/07/63/28/946076328.db2.gz IDONRZRNQFJFHQ-GFCCVEGCSA-N 1 0 389.366 1.797 20 0 GDADRO COc1nc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571293578 946111409 /nfs/dbraw/zinc/11/14/09/946111409.db2.gz LRMNIDDPOFIYQR-INIZCTEOSA-N 1 0 389.441 1.319 20 0 GDADRO O=C(c1cncc(Cl)c1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294834 946145036 /nfs/dbraw/zinc/14/50/36/946145036.db2.gz NGKDSNLFVKOHJQ-LBPRGKRZSA-N 1 0 389.872 1.981 20 0 GDADRO O=C(NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCCO1 ZINC001571298636 946225528 /nfs/dbraw/zinc/22/55/28/946225528.db2.gz BSKRJBHKPFVXNS-HIFRSBDPSA-N 1 0 390.513 1.968 20 0 GDADRO Cc1nsc(NC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1-c1nn[nH]n1 ZINC001571298861 946231055 /nfs/dbraw/zinc/23/10/55/946231055.db2.gz FRFHKBJLSXETSF-FRRDWIJNSA-N 1 0 390.517 1.375 20 0 GDADRO C[C@@H]1COCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571299317 946246408 /nfs/dbraw/zinc/24/64/08/946246408.db2.gz KLHRTLADISXJBC-IUODEOHRSA-N 1 0 390.513 1.681 20 0 GDADRO O=C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822991394 946248510 /nfs/dbraw/zinc/24/85/10/946248510.db2.gz BJILCDJFYHABQN-KRWDZBQOSA-N 1 0 383.500 1.291 20 0 GDADRO Cc1nsc(N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1-c1nn[nH]n1 ZINC001571299647 946255608 /nfs/dbraw/zinc/25/56/08/946255608.db2.gz OCUXPIHMBOSLMO-STQMWFEESA-N 1 0 390.517 1.517 20 0 GDADRO O=C(C[C@@H]1CCCCO1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299744 946262757 /nfs/dbraw/zinc/26/27/57/946262757.db2.gz PDTJBOZFRCYEML-KBPBESRZSA-N 1 0 390.513 1.826 20 0 GDADRO C[C@@H](C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001571299888 946264333 /nfs/dbraw/zinc/26/43/33/946264333.db2.gz QGCSZIQBIZAANK-TZMCWYRMSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571299891 946264913 /nfs/dbraw/zinc/26/49/13/946264913.db2.gz QGDQUNQHXIQOMO-KCJUWKMLSA-N 1 0 390.860 1.366 20 0 GDADRO O=C(C1CCC(O)CC1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571300262 946276845 /nfs/dbraw/zinc/27/68/45/946276845.db2.gz XYXVBDHWGLKEID-HSBZDZAISA-N 1 0 390.513 1.417 20 0 GDADRO Cc1cc(NC[C@@H]2CCN(C(=O)C3(C(F)F)CCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571301747 946282267 /nfs/dbraw/zinc/28/22/67/946282267.db2.gz 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O=C1CCCCN1CCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826480044 948392265 /nfs/dbraw/zinc/39/22/65/948392265.db2.gz PROOXLSFMJZTKW-UHFFFAOYSA-N 1 0 397.527 1.823 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCCO1)C1CC1 ZINC001573705938 948410106 /nfs/dbraw/zinc/41/01/06/948410106.db2.gz HNVPFMDMNSMWRT-KSSFIOAISA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573706117 948414339 /nfs/dbraw/zinc/41/43/39/948414339.db2.gz JRPCVISYRIWNTM-GOEBONIOSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@@H](C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1)c1ccc(Cl)s1 ZINC001573717794 948509877 /nfs/dbraw/zinc/50/98/77/948509877.db2.gz NIJFYUBNKRAQEC-SECBINFHSA-N 1 0 377.861 1.730 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573728931 948563725 /nfs/dbraw/zinc/56/37/25/948563725.db2.gz RIMBKZYUMWPBOG-JLJPHGGASA-N 1 0 380.456 1.309 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H](C)c1cnn(C)c1 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948699193 /nfs/dbraw/zinc/69/91/93/948699193.db2.gz YMFULDQENAOBKI-BNOWGMLFSA-N 1 0 384.419 1.200 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@@H]1CCCO1 ZINC001573751598 948703089 /nfs/dbraw/zinc/70/30/89/948703089.db2.gz BRNUCHHJVADEHL-MJFSBKNWSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001573755181 948757219 /nfs/dbraw/zinc/75/72/19/948757219.db2.gz BQYXJDKRCNXSIW-KZVDOYCCSA-N 1 0 390.875 1.940 20 0 GDADRO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCNc1cncc(-c2nn[nH]n2)n1 ZINC001574679331 948777551 /nfs/dbraw/zinc/77/75/51/948777551.db2.gz SSJGQEHXJURFEY-HIFRSBDPSA-N 1 0 387.492 1.226 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574917036 948801551 /nfs/dbraw/zinc/80/15/51/948801551.db2.gz PJIIDCUXVBBERM-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnc[nH]1 ZINC001573763455 948872503 /nfs/dbraw/zinc/87/25/03/948872503.db2.gz FOLFJZTYZUVMAU-OAHLLOKOSA-N 1 0 380.456 1.258 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920048 948882647 /nfs/dbraw/zinc/88/26/47/948882647.db2.gz AWDONVMXRXNLEM-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)c1ncncc1C(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574431737 948926509 /nfs/dbraw/zinc/92/65/09/948926509.db2.gz ANFGZRQRDAOUIC-ARJAWSKDSA-N 1 0 392.467 1.856 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001574687068 948944307 /nfs/dbraw/zinc/94/43/07/948944307.db2.gz MQIWFSRPBWIGEE-NSHDSACASA-N 1 0 376.440 1.192 20 0 GDADRO CC(C)c1nccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574433293 948950247 /nfs/dbraw/zinc/95/02/47/948950247.db2.gz SENFHTXKWIETQU-LBPRGKRZSA-N 1 0 388.501 1.543 20 0 GDADRO CC(C)[C@H](C(=O)N[C@@H](C)CCNc1ncccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001574687728 948951601 /nfs/dbraw/zinc/95/16/01/948951601.db2.gz QYYYBVFSJBHVEC-GOEBONIOSA-N 1 0 386.504 1.689 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574433923 948971861 /nfs/dbraw/zinc/97/18/61/948971861.db2.gz WBIJKJZTSXAZEN-UHFFFAOYSA-N 1 0 382.472 1.585 20 0 GDADRO C[C@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574925978 948980949 /nfs/dbraw/zinc/98/09/49/948980949.db2.gz FOCFBDBRIDXQJJ-MRVPVSSYSA-N 1 0 384.897 1.378 20 0 GDADRO C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001574926364 948997799 /nfs/dbraw/zinc/99/77/99/948997799.db2.gz OMVRMESOIQHPOR-CYBMUJFWSA-N 1 0 391.495 1.925 20 0 GDADRO C[C@@H](CNC(=O)COC(C)(C)C)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574927446 949042689 /nfs/dbraw/zinc/04/26/89/949042689.db2.gz IUBVZHVLDSNZNW-LBPRGKRZSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@@H](CNC(=O)CN1CCc2ccccc21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574927479 949045629 /nfs/dbraw/zinc/04/56/29/949045629.db2.gz JGHJVWNNTPMMRM-HNNXBMFYSA-N 1 0 391.479 1.524 20 0 GDADRO C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574929053 949071708 /nfs/dbraw/zinc/07/17/08/949071708.db2.gz WYDQQAMGBAIDPC-CYBMUJFWSA-N 1 0 387.488 1.013 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[nH]n2)nc1)[NH+]1CCCC1 ZINC001574694564 949084233 /nfs/dbraw/zinc/08/42/33/949084233.db2.gz RPZHZNOWLBOEMY-PBHICJAKSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574931193 949115179 /nfs/dbraw/zinc/11/51/79/949115179.db2.gz OIKMUVFCNPZPBD-ZDUSSCGKSA-N 1 0 390.463 1.949 20 0 GDADRO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575252518 949168259 /nfs/dbraw/zinc/16/82/59/949168259.db2.gz GMXGSXVHTFXGSD-ZIAGYGMSSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@H](c1cccc(F)c1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575514600 949173144 /nfs/dbraw/zinc/17/31/44/949173144.db2.gz XDTRKJIFAFLECQ-MGJUMRQLSA-N 1 0 381.415 1.755 20 0 GDADRO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575253235 949182507 /nfs/dbraw/zinc/18/25/07/949182507.db2.gz JEZINBKQOBFLLH-WDEREUQCSA-N 1 0 376.440 1.048 20 0 GDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575515639 949190036 /nfs/dbraw/zinc/19/00/36/949190036.db2.gz JKSUSWPDSXQVEK-RHSMWYFYSA-N 1 0 392.467 1.625 20 0 GDADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575515658 949190440 /nfs/dbraw/zinc/19/04/40/949190440.db2.gz JOTFNJGFBPABCP-ORAYPTAESA-N 1 0 381.440 1.123 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574698538 949193980 /nfs/dbraw/zinc/19/39/80/949193980.db2.gz MJAFHXOPXDZHAU-KGLIPLIRSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)n1cccn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574698608 949200306 /nfs/dbraw/zinc/20/03/06/949200306.db2.gz NADCYSSNFZNKRE-OLZOCXBDSA-N 1 0 386.435 1.400 20 0 GDADRO CC(C)c1ocnc1C[NH2+]C1CC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574450273 949209787 /nfs/dbraw/zinc/20/97/87/949209787.db2.gz YKEZSLGGYZBLDM-UHFFFAOYSA-N 1 0 384.444 1.699 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)CC[C@@H]2CCOC2)CC1 ZINC001575854434 949234815 /nfs/dbraw/zinc/23/48/15/949234815.db2.gz WVSOXAKHCIOFML-CQSZACIVSA-N 1 0 385.472 1.293 20 0 GDADRO C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001575255947 949243459 /nfs/dbraw/zinc/24/34/59/949243459.db2.gz SOJQQGKRBIVKDX-KBPBESRZSA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)n1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001574451979 949255458 /nfs/dbraw/zinc/25/54/58/949255458.db2.gz CSZRLSNMTDVOEQ-QGZVFWFLSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@H](CN(C)C(=O)C1(C(F)F)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574701578 949263827 /nfs/dbraw/zinc/26/38/27/949263827.db2.gz CCIIDLYRHMKDHI-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001574452946 949273230 /nfs/dbraw/zinc/27/32/30/949273230.db2.gz SGJMMFMSJDYQBK-KRWDZBQOSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574702074 949275019 /nfs/dbraw/zinc/27/50/19/949275019.db2.gz GCEJTRWKMHGVQY-LLVKDONJSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@]1(C)CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574702097 949275777 /nfs/dbraw/zinc/27/57/77/949275777.db2.gz GNUISAOTTHBGDV-XIKOKIGWSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574941535 949308963 /nfs/dbraw/zinc/30/89/63/949308963.db2.gz RQKVDQVKLATBDQ-SNVBAGLBSA-N 1 0 389.822 1.635 20 0 GDADRO CC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573794177 949314316 /nfs/dbraw/zinc/31/43/16/949314316.db2.gz BTQVLCZUCLHJTF-CYBMUJFWSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574109715 949328961 /nfs/dbraw/zinc/32/89/61/949328961.db2.gz ARVOEZJTNRFMCN-CXAGYDPISA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001574457658 949330426 /nfs/dbraw/zinc/33/04/26/949330426.db2.gz MFSUVPKQYJGOFF-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]1(C)CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574703587 949337895 /nfs/dbraw/zinc/33/78/95/949337895.db2.gz WORIWIFGNKFBLZ-KPZWWZAWSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573796961 949345073 /nfs/dbraw/zinc/34/50/73/949345073.db2.gz YLWHHDMIHYZTRB-CQSZACIVSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573797052 949348568 /nfs/dbraw/zinc/34/85/68/949348568.db2.gz ZELIXRQHTQJADV-AWEZNQCLSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)n1ccc(C[NH2+]C2(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC2)n1 ZINC001574459345 949352154 /nfs/dbraw/zinc/35/21/54/949352154.db2.gz BIXNMZGPUYOVOK-UHFFFAOYSA-N 1 0 383.460 1.415 20 0 GDADRO CC(C)n1ccc(CC(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)n1 ZINC001574459464 949356672 /nfs/dbraw/zinc/35/66/72/949356672.db2.gz HOIPKZFKIQHXKE-AWEZNQCLSA-N 1 0 382.472 1.481 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C2CC2)n1 ZINC001574459800 949361459 /nfs/dbraw/zinc/36/14/59/949361459.db2.gz KYKGCXDCQXYUSP-MRXNPFEDSA-N 1 0 383.460 1.270 20 0 GDADRO CC(C)(C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573801790 949402336 /nfs/dbraw/zinc/40/23/36/949402336.db2.gz CPTYMTNKBWTREM-GOSISDBHSA-N 1 0 376.436 1.105 20 0 GDADRO CC1(C(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575534173 949423065 /nfs/dbraw/zinc/42/30/65/949423065.db2.gz KQOMSXMPCXWHCS-AWEZNQCLSA-N 1 0 385.472 1.151 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575534179 949424134 /nfs/dbraw/zinc/42/41/34/949424134.db2.gz KWTYULDANOKHCT-BFUOFWGJSA-N 1 0 388.447 1.371 20 0 GDADRO CC(C)n1cnc(C(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001574465047 949426571 /nfs/dbraw/zinc/42/65/71/949426571.db2.gz UQTPRBHJAIMCBD-UHFFFAOYSA-N 1 0 381.444 1.082 20 0 GDADRO CC(C)n1cccc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574465185 949433468 /nfs/dbraw/zinc/43/34/68/949433468.db2.gz RUWUNQYEXUCURO-LBPRGKRZSA-N 1 0 389.485 1.191 20 0 GDADRO CC(C)n1cccc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574465980 949446739 /nfs/dbraw/zinc/44/67/39/949446739.db2.gz YWZWZZAWISTXSN-HNNXBMFYSA-N 1 0 383.456 1.130 20 0 GDADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001574468002 949452822 /nfs/dbraw/zinc/45/28/22/949452822.db2.gz CSKLOYHGISZILY-SJORKVTESA-N 1 0 382.472 1.952 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574706488 949458086 /nfs/dbraw/zinc/45/80/86/949458086.db2.gz ZALYICJVQHPDDF-TZMCWYRMSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574707680 949474799 /nfs/dbraw/zinc/47/47/99/949474799.db2.gz QCKUHBSBSRSADF-BLLLJJGKSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](NC(=O)C[C@H]1CCCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575267967 949510148 /nfs/dbraw/zinc/51/01/48/949510148.db2.gz KVCJEXWPIRFVFZ-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574710940 949515051 /nfs/dbraw/zinc/51/50/51/949515051.db2.gz CGIHXZVBQMBQLH-RDTXWAMCSA-N 1 0 391.479 1.928 20 0 GDADRO C[C@H](CN(C)C(=O)C=Cc1ccc[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574710787 949516110 /nfs/dbraw/zinc/51/61/10/949516110.db2.gz BMCHASLJBCROTI-STMXVASLSA-N 1 0 383.431 1.984 20 0 GDADRO C[C@H]1[C@@H](NC(=O)CC(C)(C)O)CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575871607 949516740 /nfs/dbraw/zinc/51/67/40/949516740.db2.gz AWMIZNFCPRDXLD-LRDDRELGSA-N 1 0 390.463 1.636 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001574711097 949522924 /nfs/dbraw/zinc/52/29/24/949522924.db2.gz DCPFSXNBCXKCRF-CYBMUJFWSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2CCOCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575872325 949544444 /nfs/dbraw/zinc/54/44/44/949544444.db2.gz HSXIVZGKPHAYAL-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccon1 ZINC001573810652 949575824 /nfs/dbraw/zinc/57/58/24/949575824.db2.gz BKFGCBNRRUNXRO-OAHLLOKOSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@@H](NC(=O)C[C@H]1CCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575270448 949590383 /nfs/dbraw/zinc/59/03/83/949590383.db2.gz ZTHXXRGELIBCAL-DGCLKSJQSA-N 1 0 376.486 1.434 20 0 GDADRO CC(C)C[C@@H](C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)n1ccnc1 ZINC001574125495 949590896 /nfs/dbraw/zinc/59/08/96/949590896.db2.gz QVGIQLCLUFHMDD-INIZCTEOSA-N 1 0 383.460 1.038 20 0 GDADRO C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576167021 949597800 /nfs/dbraw/zinc/59/78/00/949597800.db2.gz OJWCECQPIXHVLO-WMLDXEAASA-N 1 0 386.500 1.744 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCCO1 ZINC001573811582 949603073 /nfs/dbraw/zinc/60/30/73/949603073.db2.gz MBXZARHZQFWIOA-CVEARBPZSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CCOC1 ZINC001573811809 949609332 /nfs/dbraw/zinc/60/93/32/949609332.db2.gz NSAPXCZPUJCCIU-CJNGLKHVSA-N 1 0 390.463 1.663 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573812043 949613677 /nfs/dbraw/zinc/61/36/77/949613677.db2.gz PTJUTIGVAKYGQT-NBQZKYEYSA-N 1 0 384.484 1.524 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1n[nH]cc1F ZINC001573812012 949614004 /nfs/dbraw/zinc/61/40/04/949614004.db2.gz PLCQPFWSSRZMOD-CQSZACIVSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574714098 949623880 /nfs/dbraw/zinc/62/38/80/949623880.db2.gz CBHJZHMNMFWZPD-OLZOCXBDSA-N 1 0 378.502 1.824 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnco1 ZINC001573812909 949625495 /nfs/dbraw/zinc/62/54/95/949625495.db2.gz WBDRJDDYQRRUFC-CYBMUJFWSA-N 1 0 375.458 1.851 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cnoc1 ZINC001573812853 949626008 /nfs/dbraw/zinc/62/60/08/949626008.db2.gz VOKLEUPIMRQKES-MRXNPFEDSA-N 1 0 383.456 1.718 20 0 GDADRO CC(C)CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574129299 949635803 /nfs/dbraw/zinc/63/58/03/949635803.db2.gz SVPVUSAMJZVXJH-HNNXBMFYSA-N 1 0 392.479 1.645 20 0 GDADRO C[C@H](NC(=O)CC[C@H]1CCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575272318 949640068 /nfs/dbraw/zinc/64/00/68/949640068.db2.gz OWBITNMJVRUFJO-GXTWGEPZSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C[NH2+]Cc1nccs1 ZINC001576169004 949659239 /nfs/dbraw/zinc/65/92/39/949659239.db2.gz DKYRSVSRWODQHM-FZMZJTMJSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575273264 949659381 /nfs/dbraw/zinc/65/93/81/949659381.db2.gz VEHMCXZJVMCBLR-BDAKNGLRSA-N 1 0 386.913 1.624 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574958281 949661402 /nfs/dbraw/zinc/66/14/02/949661402.db2.gz ORNYFARRRUPSAW-KGLIPLIRSA-N 1 0 381.440 1.206 20 0 GDADRO CC1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOCC1 ZINC001575548143 949661633 /nfs/dbraw/zinc/66/16/33/949661633.db2.gz QXFXANOPCLCUQB-AWEZNQCLSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](CN(C)C(=O)CC1(O)CCC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574715869 949672960 /nfs/dbraw/zinc/67/29/60/949672960.db2.gz LUSBUHBJBUIKEL-LBPRGKRZSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@](C)(O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574716099 949678920 /nfs/dbraw/zinc/67/89/20/949678920.db2.gz MJWDQROSJHBDGN-BUXKBTBVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H](CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1ccnc1 ZINC001574477935 949686067 /nfs/dbraw/zinc/68/60/67/949686067.db2.gz SWBDXSHUIXZDSJ-CYBMUJFWSA-N 1 0 386.435 1.402 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574958927 949692997 /nfs/dbraw/zinc/69/29/97/949692997.db2.gz NXVJPCYWTQKJBS-UHOFOFEASA-N 1 0 395.442 1.799 20 0 GDADRO C[C@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574717041 949722210 /nfs/dbraw/zinc/72/22/10/949722210.db2.gz SOSLKJCOEQYFAT-SNVBAGLBSA-N 1 0 383.378 1.675 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574717025 949724251 /nfs/dbraw/zinc/72/42/51/949724251.db2.gz SLALEAPGSKCPHF-GXTWGEPZSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cn2cccn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575882047 949745884 /nfs/dbraw/zinc/74/58/84/949745884.db2.gz FTDFBBZYUAAPNN-YOEHRIQHSA-N 1 0 380.456 1.233 20 0 GDADRO C[C@]1(C(=O)N[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CCCC2)CCOC1 ZINC001575558821 949747616 /nfs/dbraw/zinc/74/76/16/949747616.db2.gz SMSVKRRYTLTKNF-APWZRJJASA-N 1 0 385.472 1.197 20 0 GDADRO C[C@H](NC(=O)CCc1ccncc1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575277846 949757008 /nfs/dbraw/zinc/75/70/08/949757008.db2.gz RTBKBZSFLHRDAP-HNNXBMFYSA-N 1 0 391.479 1.831 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574718137 949762202 /nfs/dbraw/zinc/76/22/02/949762202.db2.gz SPRFQWURAHMVFS-JSGCOSHPSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573820337 949763538 /nfs/dbraw/zinc/76/35/38/949763538.db2.gz YDCMBSBIQMFQGY-AVRGHOLYSA-N 1 0 385.472 1.194 20 0 GDADRO C[C@@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCOC1 ZINC001575559915 949771041 /nfs/dbraw/zinc/77/10/41/949771041.db2.gz ZECSUAUMOQYFFJ-CXAGYDPISA-N 1 0 376.486 1.339 20 0 GDADRO C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576172025 949785411 /nfs/dbraw/zinc/78/54/11/949785411.db2.gz UIBLCWTWTKDKFY-GOEBONIOSA-N 1 0 386.504 1.643 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574139289 949812264 /nfs/dbraw/zinc/81/22/64/949812264.db2.gz JKGBBSPLOVMLIQ-KUHUBIRLSA-N 1 0 389.504 1.434 20 0 GDADRO C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574965806 949818791 /nfs/dbraw/zinc/81/87/91/949818791.db2.gz MISGLZASCSUXAO-JTQLQIEISA-N 1 0 386.485 1.447 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccncn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574721894 949825831 /nfs/dbraw/zinc/82/58/31/949825831.db2.gz OXJWCZOYRXSBKC-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@H](CNC(=O)c1c(Cl)cnn1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574966265 949837496 /nfs/dbraw/zinc/83/74/96/949837496.db2.gz VUBFRURFGWKNKR-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO CC(C)(C)C1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573824409 949854326 /nfs/dbraw/zinc/85/43/26/949854326.db2.gz FMMQDMRDGWVFTN-JCYILVPMSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1nccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574724291 949864723 /nfs/dbraw/zinc/86/47/23/949864723.db2.gz GNJMSANZJWCLJZ-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)CCOC1 ZINC001575569104 949909913 /nfs/dbraw/zinc/90/99/13/949909913.db2.gz GFHFUOOSTXJTCJ-HNAYVOBHSA-N 1 0 385.472 1.409 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1cnn(C)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574726002 949917869 /nfs/dbraw/zinc/91/78/69/949917869.db2.gz WPUDOVREHSQWQX-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)(C)/C=C/C(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573829220 949950344 /nfs/dbraw/zinc/95/03/44/949950344.db2.gz XQDUJBYSPLDBAW-UZYOAWRESA-N 1 0 376.436 1.175 20 0 GDADRO C[C@@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574727643 949976758 /nfs/dbraw/zinc/97/67/58/949976758.db2.gz WSTWMOJFIYTPLL-LBPRGKRZSA-N 1 0 385.403 1.161 20 0 GDADRO C[C@@H](NC(=O)C[NH+]1CCCC1)C1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575286679 949982440 /nfs/dbraw/zinc/98/24/40/949982440.db2.gz XMANOYNGVINOJJ-CYBMUJFWSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576181279 949997391 /nfs/dbraw/zinc/99/73/91/949997391.db2.gz LLGXVNJQJNGPMA-GUYCJALGSA-N 1 0 381.440 1.885 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576181354 950003742 /nfs/dbraw/zinc/00/37/42/950003742.db2.gz LWPCZRIDYOSJAS-DYVFJYSZSA-N 1 0 380.456 1.620 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCCOC1 ZINC001574150307 950026894 /nfs/dbraw/zinc/02/68/94/950026894.db2.gz BERLSXTXJMKTKW-UONOGXRCSA-N 1 0 392.529 1.975 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@]1(F)CCOC1 ZINC001574150606 950028792 /nfs/dbraw/zinc/02/87/92/950028792.db2.gz CHIMQIKPHXOMOV-LPHOPBHVSA-N 1 0 390.463 1.616 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576182159 950040791 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C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(N(C)C)cc1 ZINC001575927110 950736505 /nfs/dbraw/zinc/73/65/05/950736505.db2.gz NMJUUAZXKPROCD-CXAGYDPISA-N 1 0 392.467 1.465 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1occ2c1CCC2 ZINC001575927316 950738409 /nfs/dbraw/zinc/73/84/09/950738409.db2.gz OZTROQKUHSXWJJ-NHYWBVRUSA-N 1 0 379.424 1.480 20 0 GDADRO CC(C)OCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574521006 950761130 /nfs/dbraw/zinc/76/11/30/950761130.db2.gz CFWRMNRELNJEEA-QWHCGFSZSA-N 1 0 378.452 1.804 20 0 GDADRO CC(C)c1noc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001575009094 950774815 /nfs/dbraw/zinc/77/48/15/950774815.db2.gz NHKWJSJCJHBSRS-WDEREUQCSA-N 1 0 387.448 1.418 20 0 GDADRO CC1(C)CC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(-c5nn[nH]n5)ccc4F)C[C@H]32)C1 ZINC001575631511 950776032 /nfs/dbraw/zinc/77/60/32/950776032.db2.gz NEQXNNCXSGVGNX-QLPKVWCKSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@@H](C[N@H+](C)C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765522 950791760 /nfs/dbraw/zinc/79/17/60/950791760.db2.gz DGLCIKHUHHSQBS-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1ccc[nH]1 ZINC001574522890 950800808 /nfs/dbraw/zinc/80/08/08/950800808.db2.gz LPHFMZJJZDEVBP-STQMWFEESA-N 1 0 385.447 1.950 20 0 GDADRO C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[nH]n3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575931522 950813898 /nfs/dbraw/zinc/81/38/98/950813898.db2.gz IKWSRUSMWJQINX-DTWKUNHWSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1cnn(C)c1 ZINC001574523477 950820932 /nfs/dbraw/zinc/82/09/32/950820932.db2.gz NWWHSNDLWJWCDZ-VXGBXAGGSA-N 1 0 388.501 1.277 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574523905 950842789 /nfs/dbraw/zinc/84/27/89/950842789.db2.gz SBQGRGMXJIHAOT-PVBKFEAWSA-N 1 0 388.447 1.271 20 0 GDADRO C[C@H](C[N@H+](C)C[C@@H](O)c1ccccc1F)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767741 950864966 /nfs/dbraw/zinc/86/49/66/950864966.db2.gz QBNPYRVQDSWZGG-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574767825 950870423 /nfs/dbraw/zinc/87/04/23/950870423.db2.gz QTNPOSJYHKJTMJ-JTQLQIEISA-N 1 0 384.469 1.590 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncc(F)cc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574767891 950871118 /nfs/dbraw/zinc/87/11/18/950871118.db2.gz VATYROSOJXEHKR-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCn1ccnc1 ZINC001574524727 950873931 /nfs/dbraw/zinc/87/39/31/950873931.db2.gz YVJYMHYAQKPETG-LSDHHAIUSA-N 1 0 382.472 1.526 20 0 GDADRO C[C@H]1CN(C(=O)C2CCOCC2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576226438 950883083 /nfs/dbraw/zinc/88/30/83/950883083.db2.gz BIHWYORZWMPAQL-WMLDXEAASA-N 1 0 384.484 1.477 20 0 GDADRO CC(C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001574189515 950889068 /nfs/dbraw/zinc/88/90/68/950889068.db2.gz MVEZTVDCPNNMDZ-ROUUACIJSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ccn(C)n1 ZINC001574527555 950896661 /nfs/dbraw/zinc/89/66/61/950896661.db2.gz DHEFMAMETBHPIN-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cn(C)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574527648 950901213 /nfs/dbraw/zinc/90/12/13/950901213.db2.gz FKVKPNIRIDAWRT-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnns1 ZINC001574527905 950914165 /nfs/dbraw/zinc/91/41/65/950914165.db2.gz IKJASMPFJCUPJB-UWVGGRQHSA-N 1 0 390.448 1.544 20 0 GDADRO CC1(C)C[C@@H](NC(=O)[C@@H]2CCOC2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575641353 950915140 /nfs/dbraw/zinc/91/51/40/950915140.db2.gz OHRYOSPISKFFGF-KGLIPLIRSA-N 1 0 385.472 1.409 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)cc(F)c1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771646 950933281 /nfs/dbraw/zinc/93/32/81/950933281.db2.gz ILTYYOZKFLKBMH-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)CC[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)CO1 ZINC001575936976 950934764 /nfs/dbraw/zinc/93/47/64/950934764.db2.gz BOIPGRSVINQACB-JSGCOSHPSA-N 1 0 376.436 1.321 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccn(C)n1 ZINC001574529715 950954312 /nfs/dbraw/zinc/95/43/12/950954312.db2.gz RPWBHPUXGQPDRC-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ncc(Cl)n1C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574530009 950963794 /nfs/dbraw/zinc/96/37/94/950963794.db2.gz SIZHDBDSRZYGPK-NXEZZACHSA-N 1 0 391.867 1.268 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ncc(Cl)n1C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574530011 950966617 /nfs/dbraw/zinc/96/66/17/950966617.db2.gz SIZHDBDSRZYGPK-VHSXEESVSA-N 1 0 391.867 1.268 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575643277 950967583 /nfs/dbraw/zinc/96/75/83/950967583.db2.gz LCSWPMPWHWOSAF-SJORKVTESA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cncnc1 ZINC001574530180 950970528 /nfs/dbraw/zinc/97/05/28/950970528.db2.gz SVZNCROFKWHKGL-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1(C)CCOCC1 ZINC001574772683 950974091 /nfs/dbraw/zinc/97/40/91/950974091.db2.gz UFILKIXRGUHMIG-ZDUSSCGKSA-N 1 0 390.463 1.759 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575644327 950982962 /nfs/dbraw/zinc/98/29/62/950982962.db2.gz SONKYDGZASKESN-OXJNMPFZSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@@H]1CCCCO1 ZINC001574774443 951002856 /nfs/dbraw/zinc/00/28/56/951002856.db2.gz CNLMVFCDILGWAT-HIFRSBDPSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)(CC(=O)N[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O)C1CC1 ZINC001573900380 951005231 /nfs/dbraw/zinc/00/52/31/951005231.db2.gz YZOLMGKWHTYTCD-IAGOWNOFSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575018621 951021727 /nfs/dbraw/zinc/02/17/27/951021727.db2.gz MWOFCQDCGFPMFE-SECBINFHSA-N 1 0 392.345 1.328 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575023996 951088709 /nfs/dbraw/zinc/08/87/09/951088709.db2.gz UQRUZLMDBUVUTB-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575024613 951109834 /nfs/dbraw/zinc/10/98/34/951109834.db2.gz JGAMBPQQRUJVIE-CYBMUJFWSA-N 1 0 392.467 1.154 20 0 GDADRO C[C@H](CNC(=O)c1ccc(N(C)C)nc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575024809 951114791 /nfs/dbraw/zinc/11/47/91/951114791.db2.gz NAUCGTMWJYIUKX-CYBMUJFWSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1CCOC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575029650 951189719 /nfs/dbraw/zinc/18/97/19/951189719.db2.gz WOBXRPIUNLYJDO-CQSZACIVSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@H](CNC(=O)c1ccnc2c1ncn2C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575033950 951235323 /nfs/dbraw/zinc/23/53/23/951235323.db2.gz FJRXQJQBOARFQX-GFCCVEGCSA-N 1 0 391.439 1.057 20 0 GDADRO C[C@@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575034361 951247428 /nfs/dbraw/zinc/24/74/28/951247428.db2.gz MRGFFKRFKBXWMC-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575035266 951271307 /nfs/dbraw/zinc/27/13/07/951271307.db2.gz VBYIAFHACMIFAJ-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(N(C)C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575035439 951273969 /nfs/dbraw/zinc/27/39/69/951273969.db2.gz IHBOAFCDNWHQFN-CYBMUJFWSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575037026 951303337 /nfs/dbraw/zinc/30/33/37/951303337.db2.gz ZVDDZDJEYIWTNV-CYBMUJFWSA-N 1 0 382.472 1.726 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)c1 ZINC001575038848 951324443 /nfs/dbraw/zinc/32/44/43/951324443.db2.gz MGENKUQUYDXQEE-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575041782 951347350 /nfs/dbraw/zinc/34/73/50/951347350.db2.gz CDNPCOLDBAJSIS-JTQLQIEISA-N 1 0 390.398 1.446 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1C(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575041783 951350118 /nfs/dbraw/zinc/35/01/18/951350118.db2.gz CDNPCOLDBAJSIS-SNVBAGLBSA-N 1 0 390.398 1.446 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575042387 951361467 /nfs/dbraw/zinc/36/14/67/951361467.db2.gz IUKCWYGQANZDRE-GFCCVEGCSA-N 1 0 383.460 1.019 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(Cl)n1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575042758 951370401 /nfs/dbraw/zinc/37/04/01/951370401.db2.gz BJCQHFQVLZIQMC-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)c1cn2ccccc2n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044664 951417545 /nfs/dbraw/zinc/41/75/45/951417545.db2.gz UTDCRCLXWPOGQM-GFCCVEGCSA-N 1 0 377.412 1.164 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C(F)F)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575054174 951487304 /nfs/dbraw/zinc/48/73/04/951487304.db2.gz XANWEFOWCYKVGD-LLVKDONJSA-N 1 0 390.398 1.709 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575055470 951506510 /nfs/dbraw/zinc/50/65/10/951506510.db2.gz VBJWPECPQGTBLV-NSHDSACASA-N 1 0 386.485 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1cnsn1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575055605 951509019 /nfs/dbraw/zinc/50/90/19/951509019.db2.gz YCRRJYCBFPCMOR-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](CNC(=O)c1cnsn1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575055604 951509785 /nfs/dbraw/zinc/50/97/85/951509785.db2.gz YCRRJYCBFPCMOR-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](CNC(=O)c1cnoc1C1CC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575055568 951510413 /nfs/dbraw/zinc/51/04/13/951510413.db2.gz XJAMWZIQWNIXJA-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575058090 951536120 /nfs/dbraw/zinc/53/61/20/951536120.db2.gz URTYFKJPMWIWCO-LLVKDONJSA-N 1 0 384.444 1.447 20 0 GDADRO C[C@H](CNC(=O)c1coc(C2CCC2)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575059286 951540719 /nfs/dbraw/zinc/54/07/19/951540719.db2.gz YUHKEWSCJYYUED-NSHDSACASA-N 1 0 382.428 1.417 20 0 GDADRO C[C@@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067331 951608404 /nfs/dbraw/zinc/60/84/04/951608404.db2.gz KSJWSQXLZXWYEY-LBPRGKRZSA-N 1 0 381.444 1.049 20 0 GDADRO C[C@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067330 951609395 /nfs/dbraw/zinc/60/93/95/951609395.db2.gz KSJWSQXLZXWYEY-GFCCVEGCSA-N 1 0 381.444 1.049 20 0 GDADRO C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067334 951609652 /nfs/dbraw/zinc/60/96/52/951609652.db2.gz KZJLWIMFGFHIPE-GFCCVEGCSA-N 1 0 383.460 1.121 20 0 GDADRO C[C@@H](CNC(=O)c1occ2c1CCOC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575067416 951611049 /nfs/dbraw/zinc/61/10/49/951611049.db2.gz SEIIQWKFBMXTPQ-LBPRGKRZSA-N 1 0 382.424 1.441 20 0 GDADRO C[C@@H](CNC(=O)c1scnc1C1CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575069182 951642234 /nfs/dbraw/zinc/64/22/34/951642234.db2.gz HBVJHOJIDUGOJA-SNVBAGLBSA-N 1 0 384.469 1.496 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C1CC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575070402 951649963 /nfs/dbraw/zinc/64/99/63/951649963.db2.gz PVJKGLHXDFOYBU-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1onc2c1CCCC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575070225 951650760 /nfs/dbraw/zinc/65/07/60/951650760.db2.gz PNAXBFOTEWMCON-LLVKDONJSA-N 1 0 382.428 1.028 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cnsn1 ZINC001575077858 951675586 /nfs/dbraw/zinc/67/55/86/951675586.db2.gz IZSKOQNRHZPFDJ-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1csnn1 ZINC001575077875 951675700 /nfs/dbraw/zinc/67/57/00/951675700.db2.gz JEEAOJQWYPGQEJ-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575077881 951675739 /nfs/dbraw/zinc/67/57/39/951675739.db2.gz JELVBOXNVSQXHI-TZMCWYRMSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@](C[NH2+]CCC[C@@H]1CCOC1)(NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001575078592 951682574 /nfs/dbraw/zinc/68/25/74/951682574.db2.gz KXACPYLOFBMSRF-YJYMSZOUSA-N 1 0 387.488 1.500 20 0 GDADRO C[C@H](CNC(=O)Cc1cccnc1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079176 951688423 /nfs/dbraw/zinc/68/84/23/951688423.db2.gz LSRSGAANFAZWFI-ZDUSSCGKSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@@H](CNC(=O)C=Cc1ccc[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079577 951693643 /nfs/dbraw/zinc/69/36/43/951693643.db2.gz ROOHZLMKADDREW-VUDGCMKMSA-N 1 0 383.431 1.889 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)COCC1CC1 ZINC001575080098 951703888 /nfs/dbraw/zinc/70/38/88/951703888.db2.gz UUBMGAKMWOMJOH-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)c1csnn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080374 951707759 /nfs/dbraw/zinc/70/77/59/951707759.db2.gz KLJOCCFQPUVGJH-SECBINFHSA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@H](CNC(=O)CCn1cccc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080461 951710867 /nfs/dbraw/zinc/71/08/67/951710867.db2.gz MJNDQOWFOCLAMK-CQSZACIVSA-N 1 0 385.447 1.740 20 0 GDADRO C[C@@H](CNC(=O)C1CC(F)(F)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080766 951714751 /nfs/dbraw/zinc/71/47/51/951714751.db2.gz ZGNUQLCDXYMFLR-SNVBAGLBSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@@H](CNC(=O)C1(C(F)F)CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080899 951718625 /nfs/dbraw/zinc/71/86/25/951718625.db2.gz OHXKTXSUDFNXQM-SNVBAGLBSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575081906 951728196 /nfs/dbraw/zinc/72/81/96/951728196.db2.gz SYAQQBACQBXWOL-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@H](CNC(=O)[C@]1(C)CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082068 951730832 /nfs/dbraw/zinc/73/08/32/951730832.db2.gz UWHJPQQCJXWUKG-KPZWWZAWSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)CC1(O)CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082877 951737350 /nfs/dbraw/zinc/73/73/50/951737350.db2.gz YVSUGYBQDNVMDQ-LBPRGKRZSA-N 1 0 376.436 1.153 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088592 951741997 /nfs/dbraw/zinc/74/19/97/951741997.db2.gz BTJURDPYJIUYIK-CYBMUJFWSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575089740 951752611 /nfs/dbraw/zinc/75/26/11/951752611.db2.gz IIRYAHDTNMDTKX-BLVKFPJESA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575090213 951758590 /nfs/dbraw/zinc/75/85/90/951758590.db2.gz KBFPPQCUAAOLKI-IYDIDCQVSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CC1OCCCO1 ZINC001575090696 951763629 /nfs/dbraw/zinc/76/36/29/951763629.db2.gz LFMYTRMDCVYUJL-LBPRGKRZSA-N 1 0 392.435 1.095 20 0 GDADRO C[C@H](CNC(=O)[C@@]1(C)CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090898 951764626 /nfs/dbraw/zinc/76/46/26/951764626.db2.gz NUWGLBACABKRHR-DJJJIMSYSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)CC1(O)CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090927 951764990 /nfs/dbraw/zinc/76/49/90/951764990.db2.gz OEGAONUFNJMRCA-GFCCVEGCSA-N 1 0 376.436 1.153 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091174 951770693 /nfs/dbraw/zinc/77/06/93/951770693.db2.gz PUKLDLXRTXUFOC-OFSOMGBPSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CCn1ccnc1 ZINC001575091127 951770833 /nfs/dbraw/zinc/77/08/33/951770833.db2.gz NVDBHNNMPIYCIP-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1cccnn1)C1CC1 ZINC001575091370 951774688 /nfs/dbraw/zinc/77/46/88/951774688.db2.gz QFOSULTWAPWDCM-IBGZPJMESA-N 1 0 378.440 1.345 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC001575091672 951779995 /nfs/dbraw/zinc/77/99/95/951779995.db2.gz ULDSGJDGDYBCAG-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001575093025 951797027 /nfs/dbraw/zinc/79/70/27/951797027.db2.gz HEISEDKIADVDML-PBHICJAKSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CCF)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093425 951799157 /nfs/dbraw/zinc/79/91/57/951799157.db2.gz JFSNHKGBCWXIDL-CYBMUJFWSA-N 1 0 386.435 1.188 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnc2n[nH]cc2c1 ZINC001575095509 951813303 /nfs/dbraw/zinc/81/33/03/951813303.db2.gz VEBMKBGKGCVNEX-LBPRGKRZSA-N 1 0 391.439 1.388 20 0 GDADRO C[C@@H](CNC(=O)CCc1ncccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098479 951823557 /nfs/dbraw/zinc/82/35/57/951823557.db2.gz DOJLIWQUZVWLOS-GFCCVEGCSA-N 1 0 386.485 1.193 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575099176 951829526 /nfs/dbraw/zinc/82/95/26/951829526.db2.gz IJBLNIKATNLULC-QWHCGFSZSA-N 1 0 378.502 1.824 20 0 GDADRO C[C@@H](CNC(=O)c1ccsn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102987 951872087 /nfs/dbraw/zinc/87/20/87/951872087.db2.gz PWHMYXLATMOWHE-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)c1cncc(F)c1 ZINC001575103061 951873749 /nfs/dbraw/zinc/87/37/49/951873749.db2.gz RNUOXSQNECCTDH-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1cnsn1 ZINC001575104047 951878764 /nfs/dbraw/zinc/87/87/64/951878764.db2.gz AYICKGQRCXAMHZ-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105908 951900636 /nfs/dbraw/zinc/90/06/36/951900636.db2.gz PPMMBBWKHWULJH-AUUYWEPGSA-N 1 0 392.463 1.712 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CC12CCOCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106534 951905910 /nfs/dbraw/zinc/90/59/10/951905910.db2.gz RTQLERZYZUWGOI-YOEHRIQHSA-N 1 0 384.484 1.525 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2c1CCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107570 951919202 /nfs/dbraw/zinc/91/92/02/951919202.db2.gz GBOWSKBWMXNDPN-CYBMUJFWSA-N 1 0 380.456 1.165 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001575109556 951931457 /nfs/dbraw/zinc/93/14/57/951931457.db2.gz SKSCACFZKKXHJZ-CQSZACIVSA-N 1 0 382.472 1.800 20 0 GDADRO C[C@H](CNC(=O)c1cncnc1C1CC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575110323 951939357 /nfs/dbraw/zinc/93/93/57/951939357.db2.gz ZGXHEHZRHNZHSA-ZDUSSCGKSA-N 1 0 392.467 1.690 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1Cl)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114031 951950613 /nfs/dbraw/zinc/95/06/13/951950613.db2.gz KWYWGFJBLNVWCH-LLVKDONJSA-N 1 0 388.863 1.409 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575114792 951960403 /nfs/dbraw/zinc/96/04/03/951960403.db2.gz TWAQAJPTBKJAIN-LJQANCHMSA-N 1 0 380.456 1.138 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CC12CCOCC2)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115202 951963227 /nfs/dbraw/zinc/96/32/27/951963227.db2.gz VTFKABQEWYGNKE-RHSMWYFYSA-N 1 0 384.484 1.525 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)c1cccnn1)C1CC1 ZINC001575115572 951967373 /nfs/dbraw/zinc/96/73/73/951967373.db2.gz YJQUEGDCMYOZIM-LJQANCHMSA-N 1 0 378.440 1.345 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575144059 952160831 /nfs/dbraw/zinc/16/08/31/952160831.db2.gz FVRWAGVDFMBZMZ-GOSISDBHSA-N 1 0 382.403 1.228 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575145478 952184840 /nfs/dbraw/zinc/18/48/40/952184840.db2.gz YIAOCIDNGXYBMG-DJJJIMSYSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575145834 952188885 /nfs/dbraw/zinc/18/88/85/952188885.db2.gz DHMXDIBAQIPXIR-GFCCVEGCSA-N 1 0 385.403 1.161 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCCc1ccccn1 ZINC001575147076 952198040 /nfs/dbraw/zinc/19/80/40/952198040.db2.gz POMNZMNMRLUIBQ-AWEZNQCLSA-N 1 0 380.456 1.360 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575147917 952202070 /nfs/dbraw/zinc/20/20/70/952202070.db2.gz WXKNREYSHWRRAU-ZDUSSCGKSA-N 1 0 380.456 1.322 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575164177 952288194 /nfs/dbraw/zinc/28/81/94/952288194.db2.gz BWBVBZMSGWYBPO-GHMZBOCLSA-N 1 0 378.868 1.126 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001575164986 952301263 /nfs/dbraw/zinc/30/12/63/952301263.db2.gz PYSSCKMGJWPJIH-GFCCVEGCSA-N 1 0 390.467 1.392 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575165009 952302941 /nfs/dbraw/zinc/30/29/41/952302941.db2.gz QCXQHLLTYGNYIS-LLVKDONJSA-N 1 0 376.440 1.001 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001575166219 952321281 /nfs/dbraw/zinc/32/12/81/952321281.db2.gz SZTQLECOXWLPCK-RISCZKNCSA-N 1 0 392.895 1.658 20 0 GDADRO CC[C@@H](F)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001571117164 952479443 /nfs/dbraw/zinc/47/94/43/952479443.db2.gz HMNIADAMGYRGKR-RDTXWAMCSA-N 1 0 375.452 1.871 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCC1(F)F ZINC001571120049 952498300 /nfs/dbraw/zinc/49/83/00/952498300.db2.gz IPOCHJIQQSAQFF-GJZGRUSLSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)C1CC(F)(F)C1 ZINC001571120487 952505162 /nfs/dbraw/zinc/50/51/62/952505162.db2.gz NSUVAWAIOSRLRY-IAQYHMDHSA-N 1 0 376.411 1.849 20 0 GDADRO CC(F)(F)C(=O)N[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC001571120669 952507209 /nfs/dbraw/zinc/50/72/09/952507209.db2.gz PCSHCAMWKHACLI-AWEZNQCLSA-N 1 0 376.411 1.993 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1)c1ccnnc1 ZINC001571121097 952515042 /nfs/dbraw/zinc/51/50/42/952515042.db2.gz WISJPRQFRHEJON-ZACQAIPSSA-N 1 0 376.424 1.192 20 0 GDADRO O=C(C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC001571121907 952521937 /nfs/dbraw/zinc/52/19/37/952521937.db2.gz DQCUJMAXBWNATP-APPDUMDISA-N 1 0 376.848 1.553 20 0 GDADRO CO[C@H](C)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2 ZINC001571122830 952526293 /nfs/dbraw/zinc/52/62/93/952526293.db2.gz MEBVUDBSAPZVJU-GFCCVEGCSA-N 1 0 376.486 1.388 20 0 GDADRO CO[C@@H](C)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571124017 952533553 /nfs/dbraw/zinc/53/35/53/952533553.db2.gz XFBJTNIBFIHGHK-LBPRGKRZSA-N 1 0 376.436 1.464 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CCOCC1 ZINC001571124048 952533578 /nfs/dbraw/zinc/53/35/78/952533578.db2.gz YANYIBRYTGKIFX-BJHJDKERSA-N 1 0 376.486 1.339 20 0 GDADRO Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)C3CC(F)(F)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124293 952535990 /nfs/dbraw/zinc/53/59/90/952535990.db2.gz DTUYCUYTWSQFOL-ZYHUDNBSSA-N 1 0 377.399 1.439 20 0 GDADRO Cc1cc(N(C)[C@H]2CCN(C(=O)C3CC(F)(F)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124688 952542301 /nfs/dbraw/zinc/54/23/01/952542301.db2.gz REIBBWIHUNIJPK-LBPRGKRZSA-N 1 0 377.399 1.653 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CC2)C1 ZINC001571127210 952551794 /nfs/dbraw/zinc/55/17/94/952551794.db2.gz BIUBKHOBTXPPQN-MAUKXSAKSA-N 1 0 377.452 1.803 20 0 GDADRO CC(F)(F)C(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[nH]n2)CCOCC1 ZINC001575212621 952554954 /nfs/dbraw/zinc/55/49/54/952554954.db2.gz MHAYMZLMEWRZAC-UHFFFAOYSA-N 1 0 380.399 1.277 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571127553 952557698 /nfs/dbraw/zinc/55/76/98/952557698.db2.gz HWZXEQAPYMAFTK-GOSISDBHSA-N 1 0 377.452 1.917 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571127841 952561176 /nfs/dbraw/zinc/56/11/76/952561176.db2.gz ORKXZMRZZXBBIW-RDTXWAMCSA-N 1 0 377.452 1.441 20 0 GDADRO Cc1ccncc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571128038 952562156 /nfs/dbraw/zinc/56/21/56/952562156.db2.gz NXERXUZDSVXALS-MRXNPFEDSA-N 1 0 377.452 1.965 20 0 GDADRO Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)c1 ZINC001571127928 952562746 /nfs/dbraw/zinc/56/27/46/952562746.db2.gz NNNPYFKHQXACQA-KDOFPFPSSA-N 1 0 377.452 1.963 20 0 GDADRO Cc1cccc(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@@H](C)C2)n1 ZINC001571128960 952572388 /nfs/dbraw/zinc/57/23/88/952572388.db2.gz ZOOOIVBNFQIMMH-UGSOOPFHSA-N 1 0 377.452 1.820 20 0 GDADRO Cc1ccnc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571133972 952583206 /nfs/dbraw/zinc/58/32/06/952583206.db2.gz AICKUYOJRXQDGY-IBGZPJMESA-N 1 0 378.440 1.360 20 0 GDADRO Cc1ccncc1C(=O)N[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571134007 952583350 /nfs/dbraw/zinc/58/33/50/952583350.db2.gz BCORCMPZWCSTCV-ZIAGYGMSSA-N 1 0 378.440 1.540 20 0 GDADRO Cc1cnccc1C(=O)N1C[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571134183 952587174 /nfs/dbraw/zinc/58/71/74/952587174.db2.gz GBYUKIHLRBICJX-KBPBESRZSA-N 1 0 378.440 1.207 20 0 GDADRO Cc1cncc(C(=O)N[C@H]2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)c1 ZINC001571134332 952588650 /nfs/dbraw/zinc/58/86/50/952588650.db2.gz HNHYADCJLBFUOG-SHTZXODSSA-N 1 0 378.440 1.540 20 0 GDADRO Cc1cnc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C)cn1 ZINC001571135156 952600352 /nfs/dbraw/zinc/60/03/52/952600352.db2.gz SITIAZBEILIJEP-BBRMVZONSA-N 1 0 378.440 1.358 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)c2cncnc2)C1 ZINC001571135320 952602530 /nfs/dbraw/zinc/60/25/30/952602530.db2.gz UBYDGMDIOAIPQZ-QGZVFWFLSA-N 1 0 378.440 1.393 20 0 GDADRO C[C@@H](C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001571139073 952618139 /nfs/dbraw/zinc/61/81/39/952618139.db2.gz BLHQMHZPMWKKSI-MEDUHNTESA-N 1 0 379.415 1.625 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ncccc1O ZINC001571140264 952624242 /nfs/dbraw/zinc/62/42/42/952624242.db2.gz BAXJFCRCDSKVBL-SWLSCSKDSA-N 1 0 379.424 1.360 20 0 GDADRO Cc1nnccc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571140497 952626744 /nfs/dbraw/zinc/62/67/44/952626744.db2.gz BHVXUOQKRNRRJM-MRXNPFEDSA-N 1 0 378.440 1.360 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571140744 952628785 /nfs/dbraw/zinc/62/87/85/952628785.db2.gz SJZLTZCWOPLNDM-NSHDSACASA-N 1 0 379.415 1.625 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccnn1 ZINC001571141048 952630970 /nfs/dbraw/zinc/63/09/70/952630970.db2.gz GCHPZCLPVDQYHS-UHFFFAOYSA-N 1 0 378.440 1.299 20 0 GDADRO CS[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571141636 952634790 /nfs/dbraw/zinc/63/47/90/952634790.db2.gz JGRAZXAAZQSGRY-WCQYABFASA-N 1 0 378.477 1.838 20 0 GDADRO Cc1ncncc1C(=O)N1CCC[C@@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571146131 952647947 /nfs/dbraw/zinc/64/79/47/952647947.db2.gz DFXFHSNFXAWKCF-CYBMUJFWSA-N 1 0 379.428 1.101 20 0 GDADRO O=C(c1ccccc1O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571146666 952651631 /nfs/dbraw/zinc/65/16/31/952651631.db2.gz AJDSATULIYWZKV-UHFFFAOYSA-N 1 0 379.424 1.354 20 0 GDADRO O=C(c1ccco1)N1CCC[C@@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571146962 952655537 /nfs/dbraw/zinc/65/55/37/952655537.db2.gz DTGPHLXXZPYYMY-IBGZPJMESA-N 1 0 379.424 1.987 20 0 GDADRO O=C(c1ccon1)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571147200 952658541 /nfs/dbraw/zinc/65/85/41/952658541.db2.gz IWYUDWUJYMMXIR-NVXWUHKLSA-N 1 0 379.424 1.591 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)Cc2ccc[nH]2)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571150408 952667830 /nfs/dbraw/zinc/66/78/30/952667830.db2.gz AENIFEKLXIUSCI-WMLDXEAASA-N 1 0 379.468 1.907 20 0 GDADRO Cc1ccc(CC[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1 ZINC001571150689 952670885 /nfs/dbraw/zinc/67/08/85/952670885.db2.gz FGCQGJFYPFRYPO-KRWDZBQOSA-N 1 0 379.468 1.940 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2cccn2C)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571151191 952673598 /nfs/dbraw/zinc/67/35/98/952673598.db2.gz NAWQGZUIIRCTRL-WMLDXEAASA-N 1 0 379.468 1.988 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccn2C)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571151837 952678821 /nfs/dbraw/zinc/67/88/21/952678821.db2.gz YNVZQGRKSICWHK-ZBFHGGJFSA-N 1 0 379.468 1.703 20 0 GDADRO Cc1cc(C(=O)N2C[C@H]3CN(c4cc(C)[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)on1 ZINC001571159018 952717696 /nfs/dbraw/zinc/71/76/96/952717696.db2.gz PGLRYQGQRRBWIH-BETUJISGSA-N 1 0 380.412 1.075 20 0 GDADRO Cc1conc1C(=O)N[C@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2 ZINC001571161638 952734163 /nfs/dbraw/zinc/73/41/63/952734163.db2.gz ZKRBYLSQHJHESA-AWEZNQCLSA-N 1 0 380.412 1.347 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C)n1cccn1 ZINC001571165384 952749432 /nfs/dbraw/zinc/74/94/32/952749432.db2.gz CJWSRCRJWDSOMX-JKIFEVAISA-N 1 0 380.456 1.261 20 0 GDADRO Cc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001571169431 952773413 /nfs/dbraw/zinc/77/34/13/952773413.db2.gz CEVVCYZIYGTHIM-XJKSGUPXSA-N 1 0 380.456 1.994 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571169402 952773482 /nfs/dbraw/zinc/77/34/82/952773482.db2.gz BNJRJBWBFFLVBP-HNNXBMFYSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169498 952774833 /nfs/dbraw/zinc/77/48/33/952774833.db2.gz FBUJLKDGRYVQIJ-DOMZBBRYSA-N 1 0 380.456 1.539 20 0 GDADRO CCn1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571169524 952775012 /nfs/dbraw/zinc/77/50/12/952775012.db2.gz FTAJZGVPLRPEPO-INIZCTEOSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1nc[nH]c1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571169597 952776190 /nfs/dbraw/zinc/77/61/90/952776190.db2.gz HNONKEITTSZPBZ-IUODEOHRSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1c(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)ccn1C ZINC001571169817 952779332 /nfs/dbraw/zinc/77/93/32/952779332.db2.gz ONNSEZRKSNSQQI-CQSZACIVSA-N 1 0 380.456 1.616 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169826 952779531 /nfs/dbraw/zinc/77/95/31/952779531.db2.gz ORRHJROMEIWCNF-JKSUJKDBSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1ncc(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C)n1C ZINC001571170117 952782793 /nfs/dbraw/zinc/78/27/93/952782793.db2.gz SVWORGSWOYPOII-SWLSCSKDSA-N 1 0 380.456 1.301 20 0 GDADRO Cc1nc[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170137 952783935 /nfs/dbraw/zinc/78/39/35/952783935.db2.gz TXDBTCPIJDHIAA-UHFFFAOYSA-N 1 0 380.456 1.220 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@H]1C ZINC001571170542 952787402 /nfs/dbraw/zinc/78/74/02/952787402.db2.gz WFQZLBLJVWBIPJ-GUYCJALGSA-N 1 0 380.456 1.681 20 0 GDADRO COc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nn[nH]n4)C[C@H]32)o1 ZINC001571171043 952791027 /nfs/dbraw/zinc/79/10/27/952791027.db2.gz MJPWFPJROKQJLG-ATCWAGBWSA-N 1 0 381.396 1.036 20 0 GDADRO Cn1nccc1C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171711 952796003 /nfs/dbraw/zinc/79/60/03/952796003.db2.gz DPUXXDWMHQIWHW-GOEBONIOSA-N 1 0 380.456 1.289 20 0 GDADRO Cn1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC001571171729 952796997 /nfs/dbraw/zinc/79/69/97/952796997.db2.gz FJDGQQAXQSVEAD-HNNXBMFYSA-N 1 0 380.456 1.385 20 0 GDADRO O=C(CCn1cccn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171942 952799084 /nfs/dbraw/zinc/79/90/84/952799084.db2.gz JHHBNIOPCXPDGR-QGZVFWFLSA-N 1 0 380.456 1.234 20 0 GDADRO C[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571178233 952836858 /nfs/dbraw/zinc/83/68/58/952836858.db2.gz CDISHFBBHTWOAE-SJCJKPOMSA-N 1 0 381.415 1.651 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccccn1 ZINC001571178336 952838875 /nfs/dbraw/zinc/83/88/75/952838875.db2.gz GDPJMLYQXQZJIX-MLGOLLRUSA-N 1 0 381.415 1.794 20 0 GDADRO Cc1occc1C(=O)N1C[C@@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571179517 952852958 /nfs/dbraw/zinc/85/29/58/952852958.db2.gz FJTSZLVFPBAVNH-RISCZKNCSA-N 1 0 381.440 1.714 20 0 GDADRO Cc1nocc1C(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571180279 952858821 /nfs/dbraw/zinc/85/88/21/952858821.db2.gz OHRJFVYJFYIYNH-WBVHZDCISA-N 1 0 381.440 1.851 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)on1 ZINC001571180467 952860666 /nfs/dbraw/zinc/86/06/66/952860666.db2.gz OVFLFIWASIMYPQ-WBMJQRKESA-N 1 0 381.440 1.661 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC001571181718 952865058 /nfs/dbraw/zinc/86/50/58/952865058.db2.gz XJFFAXSQAQQRQB-GOEBONIOSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1cnoc1C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571181889 952865928 /nfs/dbraw/zinc/86/59/28/952865928.db2.gz ZIUBGFOQMMLSDS-GDBMZVCRSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1cnoc1C(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571181894 952866394 /nfs/dbraw/zinc/86/63/94/952866394.db2.gz ZIUBGFOQMMLSDS-ZBFHGGJFSA-N 1 0 381.440 1.851 20 0 GDADRO O=C(c1ccc[nH]1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@@H]2C1 ZINC001571182764 952868158 /nfs/dbraw/zinc/86/81/58/952868158.db2.gz DWSFMYBUXJHYPG-GASCZTMLSA-N 1 0 381.415 1.538 20 0 GDADRO C[C@@H](NC(=O)c1cocn1)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571182783 952868673 /nfs/dbraw/zinc/86/86/73/952868673.db2.gz FRJDJLDPTUNXDA-KGLIPLIRSA-N 1 0 381.440 1.885 20 0 GDADRO CC1(C)C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1NC(=O)Cc1cnoc1 ZINC001571182911 952870738 /nfs/dbraw/zinc/87/07/38/952870738.db2.gz JIQXRMQSGBNEIN-INIZCTEOSA-N 1 0 381.440 1.424 20 0 GDADRO COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1 ZINC001571183043 952873572 /nfs/dbraw/zinc/87/35/72/952873572.db2.gz MTBZAJYAKOTPIM-CQSZACIVSA-N 1 0 381.440 1.598 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571183217 952875381 /nfs/dbraw/zinc/87/53/81/952875381.db2.gz SSRHMILQEMSYQC-ZIAGYGMSSA-N 1 0 381.440 1.558 20 0 GDADRO CC1(C)CN(C(=O)CCc2ccoc2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571183396 952877490 /nfs/dbraw/zinc/87/74/90/952877490.db2.gz ZERWTMPWXKBHBO-MRXNPFEDSA-N 1 0 381.440 1.558 20 0 GDADRO Cc1nn[nH]c1C(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571187744 952910248 /nfs/dbraw/zinc/91/02/48/952910248.db2.gz BMWLKTFTXAYPCA-CABCVRRESA-N 1 0 381.444 1.124 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571188005 952911297 /nfs/dbraw/zinc/91/12/97/952911297.db2.gz FNZLVLOBYHFOGF-CYBMUJFWSA-N 1 0 381.444 1.200 20 0 GDADRO Cc1cnc([C@H](C)[NH2+][C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 ZINC001571187968 952911712 /nfs/dbraw/zinc/91/17/12/952911712.db2.gz DXFJWFRVEKMWCZ-STQMWFEESA-N 1 0 381.444 1.249 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CCC(N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571188122 952912801 /nfs/dbraw/zinc/91/28/01/952912801.db2.gz FUZHZVDEAGZSSV-UHFFFAOYSA-N 1 0 381.444 1.343 20 0 GDADRO Cc1ncsc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571189927 952937265 /nfs/dbraw/zinc/93/72/65/952937265.db2.gz ZLZYFGVORLHNEE-FICVDOATSA-N 1 0 381.465 1.492 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571196361 952982153 /nfs/dbraw/zinc/98/21/53/952982153.db2.gz JMEUEONWDAQXTB-BDJLRTHQSA-N 1 0 382.403 1.046 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)c3ncccc3F)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571196929 952984609 /nfs/dbraw/zinc/98/46/09/952984609.db2.gz QAHPPKUOSZYPMO-ZUZCIYMTSA-N 1 0 382.403 1.099 20 0 GDADRO CCc1ocnc1C(=O)NC1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571198569 952990654 /nfs/dbraw/zinc/99/06/54/952990654.db2.gz CVYNYNIFRNTMDZ-UHFFFAOYSA-N 1 0 382.428 1.519 20 0 GDADRO CCc1cc(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)no1 ZINC001571199112 952996732 /nfs/dbraw/zinc/99/67/32/952996732.db2.gz LWIAFWOLMQQFJF-LBPRGKRZSA-N 1 0 382.428 1.259 20 0 GDADRO Cc1nc(C(=O)N2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c(C)o1 ZINC001571200127 953008107 /nfs/dbraw/zinc/00/81/07/953008107.db2.gz AWUZRTLYBAYYIO-CYBMUJFWSA-N 1 0 382.428 1.395 20 0 GDADRO Cc1conc1C(=O)N1CC[C@@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571201344 953016654 /nfs/dbraw/zinc/01/66/54/953016654.db2.gz KGLUGCMWRJIVGO-YPMHNXCESA-N 1 0 382.428 1.190 20 0 GDADRO C[C@H]1CCN(C(=O)c2cnon2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571201479 953018373 /nfs/dbraw/zinc/01/83/73/953018373.db2.gz QIXQJWVCJHVEGV-WFASDCNBSA-N 1 0 382.428 1.138 20 0 GDADRO Cc1nocc1C(=O)N[C@H]1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202673 953027477 /nfs/dbraw/zinc/02/74/77/953027477.db2.gz XLAZJIINOKMXPV-STQMWFEESA-N 1 0 382.428 1.442 20 0 GDADRO Cc1ocnc1C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202778 953029355 /nfs/dbraw/zinc/02/93/55/953029355.db2.gz YPHPLXRGTKLJQI-ZDUSSCGKSA-N 1 0 382.428 1.465 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H](C[NH2+]Cc2coc(C3CC3)n2)C1 ZINC001571204575 953030404 /nfs/dbraw/zinc/03/04/04/953030404.db2.gz AAEGPKUAHDCPQX-NSHDSACASA-N 1 0 382.428 1.312 20 0 GDADRO Cc1nocc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571205747 953041186 /nfs/dbraw/zinc/04/11/86/953041186.db2.gz LHRCQVJLTMEXAD-JKSUJKDBSA-N 1 0 382.428 1.370 20 0 GDADRO Cc1ncsc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571209864 953068661 /nfs/dbraw/zinc/06/86/61/953068661.db2.gz HFIHFMHTTBAVTE-RYUDHWBXSA-N 1 0 382.453 1.438 20 0 GDADRO O=C(N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1=COCCC1 ZINC001571210378 953071560 /nfs/dbraw/zinc/07/15/60/953071560.db2.gz QCZCDXBMVLTIAW-WMZOPIPTSA-N 1 0 382.468 1.936 20 0 GDADRO Cc1nc(NC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)ccc1-c1nn[nH]n1 ZINC001571216874 953104210 /nfs/dbraw/zinc/10/42/10/953104210.db2.gz BJBXBEGQIIZTJD-UHFFFAOYSA-N 1 0 382.472 1.069 20 0 GDADRO O=S(=O)(NC[C@H]1C[NH+]2CCC1CC2)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001571218756 953118754 /nfs/dbraw/zinc/11/87/54/953118754.db2.gz QDAVZTDCPLSEMV-NSHDSACASA-N 1 0 382.877 1.140 20 0 GDADRO COc1nc(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571219033 953121678 /nfs/dbraw/zinc/12/16/78/953121678.db2.gz JWEHQZOZWMUXPP-UHFFFAOYSA-N 1 0 383.412 1.162 20 0 GDADRO Cc1ccc(F)cc1C[NH2+]CC1CC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571229572 953170607 /nfs/dbraw/zinc/17/06/07/953170607.db2.gz IZXRFKYHICABDY-UHFFFAOYSA-N 1 0 383.431 1.941 20 0 GDADRO O=C(Cc1ccc[nH]1)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571229506 953170644 /nfs/dbraw/zinc/17/06/44/953170644.db2.gz GTUSKKMODZXBPO-UHFFFAOYSA-N 1 0 383.431 1.657 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)n1cccc1 ZINC001571229782 953172422 /nfs/dbraw/zinc/17/24/22/953172422.db2.gz MZWANKVIPJVCTJ-UKRRQHHQSA-N 1 0 383.431 1.759 20 0 GDADRO Cc1cc(N2CCC(NC(=O)[C@@H]3C[C@@]34CCOC4)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232879 953188967 /nfs/dbraw/zinc/18/89/67/953188967.db2.gz LQDCGHCPBQIMHO-HNAYVOBHSA-N 1 0 383.456 1.082 20 0 GDADRO CCc1ncsc1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234075 953198436 /nfs/dbraw/zinc/19/84/36/953198436.db2.gz MOPJTGRWZDTYHW-CQSZACIVSA-N 1 0 383.481 1.890 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN2C)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234675 953204886 /nfs/dbraw/zinc/20/48/86/953204886.db2.gz FSVQKJUQNIFUHW-FHLIZLRMSA-N 1 0 383.500 1.430 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001571238820 953233044 /nfs/dbraw/zinc/23/30/44/953233044.db2.gz ASBIILXEMPITNE-ZDUSSCGKSA-N 1 0 384.419 1.466 20 0 GDADRO Cc1nc[nH]c1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239364 953238442 /nfs/dbraw/zinc/23/84/42/953238442.db2.gz JGWWFNYNXWIQLY-JOCQHMNTSA-N 1 0 384.419 1.336 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cn1 ZINC001571241929 953251133 /nfs/dbraw/zinc/25/11/33/953251133.db2.gz PZZGRYYOZDUBDF-HNNXBMFYSA-N 1 0 384.419 1.513 20 0 GDADRO Cn1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)n1 ZINC001571241928 953251551 /nfs/dbraw/zinc/25/15/51/953251551.db2.gz PYTDDIJJJQSSAQ-CQSZACIVSA-N 1 0 384.419 1.134 20 0 GDADRO CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571242377 953256025 /nfs/dbraw/zinc/25/60/25/953256025.db2.gz DVUJSYSXUZQKRY-HAQNSBGRSA-N 1 0 384.444 1.576 20 0 GDADRO Cc1n[nH]cc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001571244887 953268443 /nfs/dbraw/zinc/26/84/43/953268443.db2.gz LDRNSFNWVISQAQ-ZSOGYDGISA-N 1 0 384.469 1.068 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001571247726 953285130 /nfs/dbraw/zinc/28/51/30/953285130.db2.gz CKFFKEOFPIAKHZ-YLJYHZDGSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1COCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571247690 953285531 /nfs/dbraw/zinc/28/55/31/953285531.db2.gz CGYLHICSICYPTK-SRABZTEZSA-N 1 0 384.484 1.524 20 0 GDADRO C[C@H]1COCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571247688 953285671 /nfs/dbraw/zinc/28/56/71/953285671.db2.gz CGYLHICSICYPTK-OTRWWLKZSA-N 1 0 384.484 1.524 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H]2[C@@H]1CCN2Cc1ccns1 ZINC001571248206 953290629 /nfs/dbraw/zinc/29/06/29/953290629.db2.gz NKFMVPBOHOAZLC-GJZGRUSLSA-N 1 0 384.469 1.530 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)c1csnn1 ZINC001571248309 953291230 /nfs/dbraw/zinc/29/12/30/953291230.db2.gz QCENQYWSVZGDJN-UHFFFAOYSA-N 1 0 384.469 1.549 20 0 GDADRO C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571248285 953291503 /nfs/dbraw/zinc/29/15/03/953291503.db2.gz PMIHRCBLVJERQQ-WMLDXEAASA-N 1 0 384.484 1.620 20 0 GDADRO CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571248353 953292290 /nfs/dbraw/zinc/29/22/90/953292290.db2.gz RHSLXFRPKFWKMY-MJGOQNOKSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H]1COCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571248504 953294655 /nfs/dbraw/zinc/29/46/55/953294655.db2.gz WAFKRIPYJOOEIM-QAPCUYQASA-N 1 0 384.484 1.574 20 0 GDADRO Cc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571248874 953297933 /nfs/dbraw/zinc/29/79/33/953297933.db2.gz KXZZRXVCTHFJHK-DOMZBBRYSA-N 1 0 384.444 1.570 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC[N@@H+]1C ZINC001571252071 953322463 /nfs/dbraw/zinc/32/24/63/953322463.db2.gz GOIPJIHPCJPWSQ-NJSLBKSFSA-N 1 0 384.488 1.077 20 0 GDADRO CN(c1ccc(-c2nn[nH]n2)nc1)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001571252451 953328610 /nfs/dbraw/zinc/32/86/10/953328610.db2.gz MYTAUYSLDRTMDX-CQSZACIVSA-N 1 0 384.488 1.031 20 0 GDADRO CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571252779 953333213 /nfs/dbraw/zinc/33/32/13/953333213.db2.gz WFGQVOBIZDJDNZ-OAHLLOKOSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnco2)CC[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571254285 953338071 /nfs/dbraw/zinc/33/80/71/953338071.db2.gz FHYPOGWCRLLZKL-IAQYHMDHSA-N 1 0 385.403 1.634 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)c1ccoc1Cl ZINC001571254345 953338277 /nfs/dbraw/zinc/33/82/77/953338277.db2.gz CDKMIWDMGGSZFL-FICVDOATSA-N 1 0 384.827 1.973 20 0 GDADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2Cl)CC1 ZINC001571254702 953341284 /nfs/dbraw/zinc/34/12/84/953341284.db2.gz GGWQCCHTOJHAQV-NSHDSACASA-N 1 0 384.893 1.625 20 0 GDADRO Cc1cnoc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC001571255178 953345839 /nfs/dbraw/zinc/34/58/39/953345839.db2.gz MCGSHDQZYMSEGB-NHYWBVRUSA-N 1 0 385.403 1.553 20 0 GDADRO Cc1conc1C(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571255225 953347210 /nfs/dbraw/zinc/34/72/10/953347210.db2.gz MVMWLTVELDRXQM-UHFFFAOYSA-N 1 0 385.403 1.695 20 0 GDADRO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cn3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571255520 953350323 /nfs/dbraw/zinc/35/03/23/953350323.db2.gz MRGOXTRQJMYBCD-UHFFFAOYSA-N 1 0 384.831 1.581 20 0 GDADRO C[N@@H+]1CCN(CC[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1(C)C ZINC001593784367 954681869 /nfs/dbraw/zinc/68/18/69/954681869.db2.gz GZXYPNAEHBWSAJ-MRXNPFEDSA-N 1 0 378.517 1.696 20 0 GDADRO CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)CC1 ZINC001603068478 972135065 /nfs/dbraw/zinc/13/50/65/972135065.db2.gz PCXVMWLAWRASPA-ZWKOTPCHSA-N 1 0 377.533 1.326 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000874417564 969395707 /nfs/dbraw/zinc/39/57/07/969395707.db2.gz MFTRHTBNJFFZPQ-UHFFFAOYSA-N 1 0 380.533 1.833 20 0 GDADRO C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001332945956 969724187 /nfs/dbraw/zinc/72/41/87/969724187.db2.gz JTOABNQFHRZTSS-XOYOTBSWSA-N 1 0 394.560 1.932 20 0 GDADRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CC[NH+](CC(=O)[O-])CC1 ZINC001604382293 973098151 /nfs/dbraw/zinc/09/81/51/973098151.db2.gz BTJDIQSMCOMGFI-UHFFFAOYSA-N 1 0 376.409 1.867 20 0 GDADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)c1ccco1 ZINC001594994702 982881527 /nfs/dbraw/zinc/88/15/27/982881527.db2.gz PRDPNHDZKYCUNU-JYJNAYRXSA-N 1 0 380.489 1.899 20 0 GDADRO COc1cccc([C@@H](CNC(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)[NH+](C)C)c1 ZINC001599658575 994620425 /nfs/dbraw/zinc/62/04/25/994620425.db2.gz UESHLNMNEDJPKV-CRAIPNDOSA-N 1 0 392.500 1.488 20 0 GDADRO C[C@H](Oc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F)C(=O)[O-] ZINC001593626376 995896537 /nfs/dbraw/zinc/89/65/37/995896537.db2.gz MBVSYNCYRZKXKA-ZDUSSCGKSA-N 1 0 384.452 1.635 20 0 GDADRO C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001594165855 998620311 /nfs/dbraw/zinc/62/03/11/998620311.db2.gz IHXAJDNCBFHUSZ-RHSMWYFYSA-N 1 0 377.510 1.969 20 0 GDADRO CN1CCN(c2ncc(C[NH2+][C@@H](CO)Cc3c[nH]c4ccccc34)cn2)CC1 ZINC000134332396 1126076671 /nfs/dbraw/zinc/07/66/71/1126076671.db2.gz PSTFDJTXRAINEZ-GOSISDBHSA-N 1 0 380.496 1.403 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000898394258 1126126603 /nfs/dbraw/zinc/12/66/03/1126126603.db2.gz XMOVYRAJWYWFLU-KBRIMQKVSA-N 1 0 395.912 1.952 20 0 GDADRO Cn1cc(C[NH2+][C@H](CO)Cc2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001592573129 1126217289 /nfs/dbraw/zinc/21/72/89/1126217289.db2.gz PTVFNUIKWYDFKA-IBGZPJMESA-N 1 0 389.463 1.960 20 0 GDADRO C[NH+](C)C1CN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C1 ZINC000158341944 530532063 /nfs/dbraw/zinc/53/20/63/530532063.db2.gz PISHIPYKNDGBJZ-UHFFFAOYSA-N 1 0 379.507 1.613 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000158824045 530536262 /nfs/dbraw/zinc/53/62/62/530536262.db2.gz NKTALCAGZDVNII-GASCZTMLSA-N 1 0 386.949 1.914 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000158902352 530537118 /nfs/dbraw/zinc/53/71/18/530537118.db2.gz KIVRZKHDYSBGEZ-NSHDSACASA-N 1 0 384.395 1.970 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000158914694 530537823 /nfs/dbraw/zinc/53/78/23/530537823.db2.gz YNARHLOKNVVIMS-ZDUSSCGKSA-N 1 0 377.304 1.574 20 0 GDADRO Cc1ccc(Br)cc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000158997045 530538599 /nfs/dbraw/zinc/53/85/99/530538599.db2.gz YOKPSWIUTNRPGM-UHFFFAOYSA-N 1 0 391.331 1.883 20 0 GDADRO CN(CCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccs1 ZINC000159108015 530540035 /nfs/dbraw/zinc/54/00/35/530540035.db2.gz RTIVHABSOUSPKT-CYBMUJFWSA-N 1 0 386.543 1.152 20 0 GDADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000159175632 530540537 /nfs/dbraw/zinc/54/05/37/530540537.db2.gz GWPQKFAOCCGPPO-HNNXBMFYSA-N 1 0 381.523 1.316 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)s1 ZINC000159180556 530541345 /nfs/dbraw/zinc/54/13/45/530541345.db2.gz AXTGMNSWZRHWKV-DGCLKSJQSA-N 1 0 386.543 1.259 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000161755279 530563923 /nfs/dbraw/zinc/56/39/23/530563923.db2.gz CICXZBNMYFZJFC-NEPJUHHUSA-N 1 0 379.258 1.545 20 0 GDADRO CN1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@H](C[NH3+])C1 ZINC000162568535 530569496 /nfs/dbraw/zinc/56/94/96/530569496.db2.gz LXNIKWGRLAZKIS-CYBMUJFWSA-N 1 0 396.264 1.489 20 0 GDADRO NC(=O)NC(=O)CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000162826257 530571695 /nfs/dbraw/zinc/57/16/95/530571695.db2.gz FGBXNILLDFKRMJ-UHFFFAOYSA-N 1 0 387.253 1.291 20 0 GDADRO C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000163134225 530573436 /nfs/dbraw/zinc/57/34/36/530573436.db2.gz RKPRGCCURSTIMZ-JOYOIKCWSA-N 1 0 381.230 1.665 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc(I)c1 ZINC000163468113 530575578 /nfs/dbraw/zinc/57/55/78/530575578.db2.gz IHPZRTSYPXJQLR-CYBMUJFWSA-N 1 0 389.237 1.527 20 0 GDADRO C[NH+](C)Cc1cccc(NC(=O)NCCNS(=O)(=O)c2cccs2)c1 ZINC000163490896 530576224 /nfs/dbraw/zinc/57/62/24/530576224.db2.gz WWGORHDWBHGDCR-UHFFFAOYSA-N 1 0 382.511 1.910 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)Cc2c(F)cccc2F)CC1 ZINC000163720305 530576873 /nfs/dbraw/zinc/57/68/73/530576873.db2.gz AQIBWWGMAJYTIX-CQSZACIVSA-N 1 0 375.485 1.658 20 0 GDADRO Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027607658 530589501 /nfs/dbraw/zinc/58/95/01/530589501.db2.gz YIPXCNAIXLVKSB-AWEZNQCLSA-N 1 0 382.511 1.301 20 0 GDADRO CC[NH+]1CCC(NC(=O)Cn2nnc(-c3ccc(Br)cc3)n2)CC1 ZINC000030028179 530597069 /nfs/dbraw/zinc/59/70/69/530597069.db2.gz WDPDHOUIXUJSPY-UHFFFAOYSA-N 1 0 393.289 1.703 20 0 GDADRO CCCS(=O)(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000030135665 530597891 /nfs/dbraw/zinc/59/78/91/530597891.db2.gz DKQZZQNQLRLDNI-MRXNPFEDSA-N 1 0 390.933 1.874 20 0 GDADRO C[N@H+](CCC(=O)Nc1ccccc1Br)CC(=O)N1CCOCC1 ZINC000171941959 530605614 /nfs/dbraw/zinc/60/56/14/530605614.db2.gz RVPHDHVXCFVHTP-UHFFFAOYSA-N 1 0 384.274 1.568 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172419647 530613352 /nfs/dbraw/zinc/61/33/52/530613352.db2.gz NMSILHIPOGRAAZ-UHFFFAOYSA-N 1 0 385.555 1.893 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1OC ZINC000026857733 530586764 /nfs/dbraw/zinc/58/67/64/530586764.db2.gz PSUCFFNUKBJFFU-VIFPVBQESA-N 1 0 381.292 1.695 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)CCNS(C)(=O)=O)c1ccccc1Cl ZINC000042476064 530629313 /nfs/dbraw/zinc/62/93/13/530629313.db2.gz BOTSNFAJWHXLDO-HNNXBMFYSA-N 1 0 375.922 1.778 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2csc(CS(C)(=O)=O)n2)CC1 ZINC000173713859 530635312 /nfs/dbraw/zinc/63/53/12/530635312.db2.gz KNIVJQLHHDRQEA-INIZCTEOSA-N 1 0 386.587 1.290 20 0 GDADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000173713402 530635815 /nfs/dbraw/zinc/63/58/15/530635815.db2.gz AJNHDRRMQSSEDO-LBPRGKRZSA-N 1 0 381.420 1.633 20 0 GDADRO CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 ZINC000044020144 530636813 /nfs/dbraw/zinc/63/68/13/530636813.db2.gz BFBYHTBWHMZINY-HNNXBMFYSA-N 1 0 385.555 1.810 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(CCNC(C)=O)s2)C1 ZINC000173923781 530640123 /nfs/dbraw/zinc/64/01/23/530640123.db2.gz FQOQCCKYRXNUNH-HNNXBMFYSA-N 1 0 387.571 1.779 20 0 GDADRO Cn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)CC2 ZINC000172791123 530617879 /nfs/dbraw/zinc/61/78/79/530617879.db2.gz XCTFQRWBTKKIGU-CYBMUJFWSA-N 1 0 384.263 1.885 20 0 GDADRO CCS(=O)(=O)NCCCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000051686142 530680824 /nfs/dbraw/zinc/68/08/24/530680824.db2.gz DYGSDJBIRRRKFH-HZPDHXFCSA-N 1 0 376.567 1.373 20 0 GDADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000174262633 530645404 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375.288 1.945 20 0 GDADRO CCOC(=O)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)o1 ZINC000182215219 530796495 /nfs/dbraw/zinc/79/64/95/530796495.db2.gz IBCOIXWGHYQTIQ-UHFFFAOYSA-N 1 0 380.413 1.810 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000102247689 530827487 /nfs/dbraw/zinc/82/74/87/530827487.db2.gz WQFFSWHWJZARHX-UHFFFAOYSA-N 1 0 384.889 1.901 20 0 GDADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cnn2cc(Br)cnc12 ZINC000184383171 530827486 /nfs/dbraw/zinc/82/74/86/530827486.db2.gz MLQXNIZIPBJRQM-LBPRGKRZSA-N 1 0 395.305 1.248 20 0 GDADRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCCNS(C)(=O)=O)cc1 ZINC000184920884 530833976 /nfs/dbraw/zinc/83/39/76/530833976.db2.gz YKXDDDCKXLZSCN-SJORKVTESA-N 1 0 388.555 1.609 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000103498278 530835532 /nfs/dbraw/zinc/83/55/32/530835532.db2.gz AZZOVAUQZXSRLK-UHFFFAOYSA-N 1 0 391.896 1.654 20 0 GDADRO C[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 ZINC000079116917 530807716 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C[N@@H+]1CC[C@@H](CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000110651002 530869075 /nfs/dbraw/zinc/86/90/75/530869075.db2.gz SWBLACSUEYQZAW-JTQLQIEISA-N 1 0 380.242 1.113 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000111402419 530875413 /nfs/dbraw/zinc/87/54/13/530875413.db2.gz PUXOPFXFWATARD-DGCLKSJQSA-N 1 0 376.425 1.317 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(I)c[nH]2)CC1 ZINC000115383616 530899884 /nfs/dbraw/zinc/89/98/84/530899884.db2.gz FHRXAEPZEHJOCZ-NSHDSACASA-N 1 0 390.269 1.375 20 0 GDADRO C[N@H+](CCCO)C1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000115547840 530900817 /nfs/dbraw/zinc/90/08/17/530900817.db2.gz QMEWYDDVHVYKDE-MRXNPFEDSA-N 1 0 384.318 1.754 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000189121470 530908441 /nfs/dbraw/zinc/90/84/41/530908441.db2.gz QMQLYILBFDJBGP-UHFFFAOYSA-N 1 0 383.411 1.760 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)ccc1Br ZINC000114047233 530892646 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O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc(CC(F)(F)F)cc1 ZINC000189996446 530923853 /nfs/dbraw/zinc/92/38/53/530923853.db2.gz HMCZJBSKCTWKRS-UHFFFAOYSA-N 1 0 380.432 1.774 20 0 GDADRO Cc1cc(Cl)c(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000119245519 530923980 /nfs/dbraw/zinc/92/39/80/530923980.db2.gz SZCHHMFXCPKOKV-GFCCVEGCSA-N 1 0 387.311 1.992 20 0 GDADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000190084771 530925525 /nfs/dbraw/zinc/92/55/25/530925525.db2.gz CKCIXRJAEDIZCK-CYBMUJFWSA-N 1 0 383.283 1.488 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000120003850 530934622 /nfs/dbraw/zinc/93/46/22/530934622.db2.gz KSTGXTBTLDYTBP-FUHWJXTLSA-N 1 0 384.567 1.646 20 0 GDADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)[C@H](C)[NH3+] ZINC000191989901 530958068 /nfs/dbraw/zinc/95/80/68/530958068.db2.gz GKZLOJCRWVDUNA-MNOVXSKESA-N 1 0 394.324 1.810 20 0 GDADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC[N@@H+]1C ZINC000121583690 530958505 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CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)C1 ZINC000121357236 530955173 /nfs/dbraw/zinc/95/51/73/530955173.db2.gz AMJUBZWREDDPJG-GJZGRUSLSA-N 1 0 385.555 1.668 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000191875673 530955961 /nfs/dbraw/zinc/95/59/61/530955961.db2.gz HBQCZBQGYSIDMK-GXTWGEPZSA-N 1 0 384.274 1.531 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCSc2ncccc21 ZINC000192721203 530972504 /nfs/dbraw/zinc/97/25/04/530972504.db2.gz SULQMWYNUABTND-UHFFFAOYSA-N 1 0 381.527 1.758 20 0 GDADRO O=C(NCCn1ccnc1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192834738 530973996 /nfs/dbraw/zinc/97/39/96/530973996.db2.gz YLTQPSWKFWGACF-UHFFFAOYSA-N 1 0 377.242 1.889 20 0 GDADRO C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 ZINC000192993787 530977778 /nfs/dbraw/zinc/97/77/78/530977778.db2.gz ZYNBXOUNEYRSIY-UHFFFAOYSA-N 1 0 382.511 1.457 20 0 GDADRO O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000123133707 530980058 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C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)C1 ZINC000193267806 530982900 /nfs/dbraw/zinc/98/29/00/530982900.db2.gz LTTPOPNFHRKIDV-QWHCGFSZSA-N 1 0 376.906 1.984 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1c(F)cccc1Cl ZINC000193317036 530984367 /nfs/dbraw/zinc/98/43/67/530984367.db2.gz FIXOWRCNKHFFQH-LLVKDONJSA-N 1 0 377.869 1.487 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cn2cc(Br)cn2)on1)[N@H+](C)C1CC1 ZINC000123464077 530984529 /nfs/dbraw/zinc/98/45/29/530984529.db2.gz AMIXPKYOIQASOU-SNVBAGLBSA-N 1 0 382.262 1.894 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)CN3C(=O)c4ccc(Br)cc4C3=O)C[C@H]2C1 ZINC000192480672 530968344 /nfs/dbraw/zinc/96/83/44/530968344.db2.gz QOIYHRGMIZBTAU-PHIMTYICSA-N 1 0 392.253 1.065 20 0 GDADRO O=C(NC[C@H]1CCCN(C(=O)c2occc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000122225410 530968553 /nfs/dbraw/zinc/96/85/53/530968553.db2.gz VLXRKMGVNCPMTC-DGCLKSJQSA-N 1 0 384.274 1.763 20 0 GDADRO C[C@]([NH3+])(C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000192500833 530969460 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C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000194018280 530998178 /nfs/dbraw/zinc/99/81/78/530998178.db2.gz BIKOSUFQHDKHNT-CHWSQXEVSA-N 1 0 398.301 1.092 20 0 GDADRO Cc1c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc(Br)cc1S(N)(=O)=O ZINC000193571297 530989278 /nfs/dbraw/zinc/98/92/78/530989278.db2.gz KQFLPOSRIIKXAC-CABZTGNLSA-N 1 0 390.303 1.275 20 0 GDADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000193650277 530990876 /nfs/dbraw/zinc/99/08/76/530990876.db2.gz HKDFKLXRUVOAGM-ZYHUDNBSSA-N 1 0 382.258 1.431 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000125624947 531008518 /nfs/dbraw/zinc/00/85/18/531008518.db2.gz VATLCJFQJJSKAQ-AWEZNQCLSA-N 1 0 379.320 1.696 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 ZINC000194850798 531010666 /nfs/dbraw/zinc/01/06/66/531010666.db2.gz GLTPZMLGLFWLBD-DGCLKSJQSA-N 1 0 391.331 1.506 20 0 GDADRO Cc1cc(C(=O)NCCN2CC[NH2+]CC2)nn1-c1ccc(Br)cc1 ZINC000125823416 531010626 /nfs/dbraw/zinc/01/06/26/531010626.db2.gz XLPYDPDFZVOJHA-UHFFFAOYSA-N 1 0 392.301 1.578 20 0 GDADRO [NH3+]CCCCc1cn(CC(=O)Nc2ccccc2I)nn1 ZINC000229631886 531034435 /nfs/dbraw/zinc/03/44/35/531034435.db2.gz FDJYOOVMBGSDPM-UHFFFAOYSA-N 1 0 399.236 1.803 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccccc1Br ZINC000195054521 531013999 /nfs/dbraw/zinc/01/39/99/531013999.db2.gz LBGLYRTUCIXFJA-CYBMUJFWSA-N 1 0 398.301 1.957 20 0 GDADRO O=C(CNS(=O)(=O)c1cccs1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126728853 531022343 /nfs/dbraw/zinc/02/23/43/531022343.db2.gz UFMHRNITLIGJNE-DZGCQCFKSA-N 1 0 383.539 1.502 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cncc(Br)c2)CC1 ZINC000126859155 531023424 /nfs/dbraw/zinc/02/34/24/531023424.db2.gz HRPAXUMHAHKLIS-UHFFFAOYSA-N 1 0 398.305 1.862 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000198234687 531026196 /nfs/dbraw/zinc/02/61/96/531026196.db2.gz IGSZQPYZHVWQSV-UHFFFAOYSA-N 1 0 387.933 1.997 20 0 GDADRO C[NH+]1CCC(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000127492342 531030388 /nfs/dbraw/zinc/03/03/88/531030388.db2.gz SYHOZWHCJUFNDZ-UHFFFAOYSA-N 1 0 385.555 1.533 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)CCO1 ZINC000229507198 531033493 /nfs/dbraw/zinc/03/34/93/531033493.db2.gz YASVGIKAGGERGS-SECBINFHSA-N 1 0 380.613 1.744 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NCC(F)(F)F ZINC000194075564 530999315 /nfs/dbraw/zinc/99/93/15/530999315.db2.gz IEZFLQDJMPTQTR-WDEREUQCSA-N 1 0 381.420 1.655 20 0 GDADRO O=C(CN1C(=O)NC2(CC[NH2+]CC2)C1=O)Nc1ccc(Br)cc1 ZINC000228993172 531033835 /nfs/dbraw/zinc/03/38/35/531033835.db2.gz ZOFOARGJUDCSEG-UHFFFAOYSA-N 1 0 381.230 1.062 20 0 GDADRO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000245906943 531061622 /nfs/dbraw/zinc/06/16/22/531061622.db2.gz CLGQAEWENAOZDU-ZKYQVNSYSA-N 1 0 377.222 1.798 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@H]1C ZINC000246212622 531065250 /nfs/dbraw/zinc/06/52/50/531065250.db2.gz NWUXUMYJPKSDKJ-OLZOCXBDSA-N 1 0 398.301 1.092 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000246257035 531065720 /nfs/dbraw/zinc/06/57/20/531065720.db2.gz KLYNGTQAWAIUHH-CABCVRRESA-N 1 0 385.555 1.668 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N2CCC[C@H]2CN2CCOCC2)c1=O ZINC000130981148 531065870 /nfs/dbraw/zinc/06/58/70/531065870.db2.gz UFAFXCQUTFHYDF-ZDUSSCGKSA-N 1 0 399.289 1.476 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000127968407 531036400 /nfs/dbraw/zinc/03/64/00/531036400.db2.gz ORALAMHVILVOGH-UHFFFAOYSA-N 1 0 389.237 1.734 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000128062062 531036693 /nfs/dbraw/zinc/03/66/93/531036693.db2.gz WFHYTUZMVVALMC-CYBMUJFWSA-N 1 0 385.917 1.806 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236570873 531037983 /nfs/dbraw/zinc/03/79/83/531037983.db2.gz RUNFHSNUPHLMKL-DOMZBBRYSA-N 1 0 380.286 1.918 20 0 GDADRO CC(=O)N1CCN(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000236621567 531038473 /nfs/dbraw/zinc/03/84/73/531038473.db2.gz MPJZSADCYMWXSR-UHFFFAOYSA-N 1 0 394.313 1.979 20 0 GDADRO CC(C)C[C@@H]([NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000236695816 531039253 /nfs/dbraw/zinc/03/92/53/531039253.db2.gz ZUPAMOMLDAXTBM-GFCCVEGCSA-N 1 0 393.962 1.998 20 0 GDADRO CCC[C@H]([NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000236817264 531040477 /nfs/dbraw/zinc/04/04/77/531040477.db2.gz FOKCTTABIRJLFX-NSHDSACASA-N 1 0 379.935 1.752 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000236819779 531040651 /nfs/dbraw/zinc/04/06/51/531040651.db2.gz QKMOUBQSNBQYAB-AWEZNQCLSA-N 1 0 391.331 1.998 20 0 GDADRO CCn1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)c1Cl ZINC000236968016 531040876 /nfs/dbraw/zinc/04/08/76/531040876.db2.gz GDNDLWOBDROLNW-UHFFFAOYSA-N 1 0 385.877 1.354 20 0 GDADRO CCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000236923461 531041201 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Cc1cc(NC(=O)CN2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000261870701 531101124 /nfs/dbraw/zinc/10/11/24/531101124.db2.gz LGCSYZKIGWDUBY-HNNXBMFYSA-N 1 0 381.318 1.676 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)c3cccnc3Br)ccn2)CC1 ZINC000134606676 531101550 /nfs/dbraw/zinc/10/15/50/531101550.db2.gz KIWXNFVFDYJTSC-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000261992640 531105154 /nfs/dbraw/zinc/10/51/54/531105154.db2.gz MVZVPTNSCWHBKW-QGZVFWFLSA-N 1 0 393.285 1.746 20 0 GDADRO O=S(=O)(Cc1ccccc1Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261894003 531101907 /nfs/dbraw/zinc/10/19/07/531101907.db2.gz VVLVRGJIYFBPLX-CYBMUJFWSA-N 1 0 385.839 1.596 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261895319 531102347 /nfs/dbraw/zinc/10/23/47/531102347.db2.gz VZGBAMHKPABSDY-OCCSQVGLSA-N 1 0 384.274 1.661 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000261944143 531102889 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CO[C@@H]1CCN(S(=O)(=O)c2cc(C)cc(Br)c2)[C@@H](C[NH3+])C1 ZINC000440842153 531347282 /nfs/dbraw/zinc/34/72/82/531347282.db2.gz DOORYGWQOAEEEU-CHWSQXEVSA-N 1 0 377.304 1.884 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000411987392 531354782 /nfs/dbraw/zinc/35/47/82/531354782.db2.gz GFBSZMSPTRSAFU-BXUZGUMPSA-N 1 0 391.331 1.846 20 0 GDADRO CN(CC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000292443568 531355139 /nfs/dbraw/zinc/35/51/39/531355139.db2.gz XGLZEAPRGVQONR-KRWDZBQOSA-N 1 0 385.917 1.515 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412058570 531356601 /nfs/dbraw/zinc/35/66/01/531356601.db2.gz ADTHXPWEDKLSKF-IVMMDQJWSA-N 1 0 385.302 1.471 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2cc[nH]c(=O)c2Br)CC[N@@H+]1CC(C)(C)O ZINC000278388419 531356776 /nfs/dbraw/zinc/35/67/76/531356776.db2.gz URXNYBCXPBIOAZ-LLVKDONJSA-N 1 0 386.290 1.396 20 0 GDADRO C[C@@H](O)C[N@H+](CC1(O)CCS(=O)(=O)CC1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441266455 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CSc1ccccc1OC[C@H](O)C[N@H+](CCNS(C)(=O)=O)C(C)C ZINC000411978851 531353615 /nfs/dbraw/zinc/35/36/15/531353615.db2.gz DQDIDSQCVYOSAT-CQSZACIVSA-N 1 0 376.544 1.408 20 0 GDADRO CNc1cc(I)ccc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000412250828 531361270 /nfs/dbraw/zinc/36/12/70/531361270.db2.gz OUVAQZHJVGYGHS-AWEZNQCLSA-N 1 0 389.237 1.129 20 0 GDADRO C[NH+](C)C1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000528486541 531361384 /nfs/dbraw/zinc/36/13/84/531361384.db2.gz GGIIGZZXBRPENZ-UHFFFAOYSA-N 1 0 377.869 1.310 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000266682176 531362070 /nfs/dbraw/zinc/36/20/70/531362070.db2.gz UAQMVDUSGICYKI-ZDUSSCGKSA-N 1 0 384.274 1.533 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000278470614 531363485 /nfs/dbraw/zinc/36/34/85/531363485.db2.gz CRAUXKVEPVCSSP-UHFFFAOYSA-N 1 0 389.880 1.731 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)[C@H](C)C1 ZINC000278501483 531364181 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C[C@@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000292938670 531390288 /nfs/dbraw/zinc/39/02/88/531390288.db2.gz NGQRRFJUMJTSDY-YPMHNXCESA-N 1 0 384.420 1.527 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(c3ncnc4c3c(Br)nn4C)[C@H]2C1 ZINC000292765870 531377035 /nfs/dbraw/zinc/37/70/35/531377035.db2.gz KRGLTWHVDWHSTF-WDEREUQCSA-N 1 0 381.278 1.425 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000278684147 531379416 /nfs/dbraw/zinc/37/94/16/531379416.db2.gz DNVKWKPQDQXHSO-UHFFFAOYSA-N 1 0 389.949 1.995 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)c2nonc21 ZINC000292811035 531380427 /nfs/dbraw/zinc/38/04/27/531380427.db2.gz SXEFYDMVSBKWNA-NSHDSACASA-N 1 0 388.877 1.391 20 0 GDADRO C[N@H+](CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C1CCCC1 ZINC000442940928 531381944 /nfs/dbraw/zinc/38/19/44/531381944.db2.gz GTLWAYCXXQIURL-UHFFFAOYSA-N 1 0 384.893 1.673 20 0 GDADRO COc1ccc(S(=O)(=O)NCCOCC[NH+](C)C)c(Br)c1 ZINC000480907232 531381994 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CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(C)c1I ZINC000293775362 531442987 /nfs/dbraw/zinc/44/29/87/531442987.db2.gz PXKJARRFRQNULU-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)cc1OC ZINC000279667668 531448422 /nfs/dbraw/zinc/44/84/22/531448422.db2.gz DDVGBTBOLXIPNF-UHFFFAOYSA-N 1 0 378.878 1.092 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000486071952 531445271 /nfs/dbraw/zinc/44/52/71/531445271.db2.gz UOMMNBDVOPUQDR-IUODEOHRSA-N 1 0 382.302 1.883 20 0 GDADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cnn(C)c1I ZINC000293925885 531452477 /nfs/dbraw/zinc/45/24/77/531452477.db2.gz GZSWJNBAULODSS-ZYHUDNBSSA-N 1 0 388.253 1.724 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2ccc(I)cc2F)CC1 ZINC000294338307 531473989 /nfs/dbraw/zinc/47/39/89/531473989.db2.gz IMKOTZOVBAARES-UHFFFAOYSA-N 1 0 391.228 1.408 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(I)c2)C1 ZINC000415315015 531474390 /nfs/dbraw/zinc/47/43/90/531474390.db2.gz HJJOKCSNNXFGOG-LLVKDONJSA-N 1 0 387.221 1.358 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc(OC(C)C)c2)C1 ZINC000415313520 531474486 /nfs/dbraw/zinc/47/44/86/531474486.db2.gz DZJMYLCPSFVLCE-LBPRGKRZSA-N 1 0 384.274 1.995 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1Br ZINC000415315133 531474990 /nfs/dbraw/zinc/47/49/90/531474990.db2.gz LCOVOOAVPDEZCX-SECBINFHSA-N 1 0 384.230 1.042 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415325443 531474994 /nfs/dbraw/zinc/47/49/94/531474994.db2.gz GBDQTXZCNKXVMD-LLVKDONJSA-N 1 0 384.274 1.902 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415328850 531475396 /nfs/dbraw/zinc/47/53/96/531475396.db2.gz JVGFLLGABIYJRG-SNVBAGLBSA-N 1 0 398.257 1.290 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000415342806 531476495 /nfs/dbraw/zinc/47/64/95/531476495.db2.gz KDKJRDQSRDPNNX-LBPRGKRZSA-N 1 0 382.917 1.652 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000267876973 531458664 /nfs/dbraw/zinc/45/86/64/531458664.db2.gz ZYXCWNCWEGBREV-LLVKDONJSA-N 1 0 387.889 1.235 20 0 GDADRO CC[NH+]1CCN(CCC(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000279904756 531460716 /nfs/dbraw/zinc/46/07/16/531460716.db2.gz IAMGXKMZWSVDDB-UHFFFAOYSA-N 1 0 386.338 1.570 20 0 GDADRO CC[NH+](CC)CCN(C(=O)C[C@H](O)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000486810148 531460957 /nfs/dbraw/zinc/46/09/57/531460957.db2.gz IHLWIUPTPVQCPX-HOTGVXAUSA-N 1 0 376.563 1.531 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000267926725 531462305 /nfs/dbraw/zinc/46/23/05/531462305.db2.gz DVUFMMNJUUNHQT-CYBMUJFWSA-N 1 0 376.906 1.830 20 0 GDADRO COc1cc(Br)c(NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1OC ZINC000414987249 531464786 /nfs/dbraw/zinc/46/47/86/531464786.db2.gz DKGSQEIBJGGZRN-SNVBAGLBSA-N 1 0 387.278 1.491 20 0 GDADRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000486962584 531465055 /nfs/dbraw/zinc/46/50/55/531465055.db2.gz GGTZAKNZSDEWMW-GFCCVEGCSA-N 1 0 390.472 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COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000449699869 531472805 /nfs/dbraw/zinc/47/28/05/531472805.db2.gz AKRPFDLFOXPKMR-ZDUSSCGKSA-N 1 0 399.285 1.915 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000415354001 531478529 /nfs/dbraw/zinc/47/85/29/531478529.db2.gz BAQNDCRFMKYEHW-JTQLQIEISA-N 1 0 391.209 1.937 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1I ZINC000415363588 531479238 /nfs/dbraw/zinc/47/92/38/531479238.db2.gz QUGULDYYTDEMDO-SNVBAGLBSA-N 1 0 387.221 1.345 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000415362270 531479268 /nfs/dbraw/zinc/47/92/68/531479268.db2.gz OOESDIBLVJYLJI-JTQLQIEISA-N 1 0 392.257 1.541 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)NC(C)(C)C[NH3+])c1 ZINC000415362847 531479367 /nfs/dbraw/zinc/47/93/67/531479367.db2.gz QRLRKTLHFAPJGQ-UHFFFAOYSA-N 1 0 391.209 1.937 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000415369310 531480096 /nfs/dbraw/zinc/48/00/96/531480096.db2.gz OXHZKIKFPVNVRA-UHFFFAOYSA-N 1 0 379.511 1.970 20 0 GDADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000294476865 531481134 /nfs/dbraw/zinc/48/11/34/531481134.db2.gz BJQPQCBHFGLNJX-KCPJHIHWSA-N 1 0 383.286 1.839 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])cc1I ZINC000415387318 531481349 /nfs/dbraw/zinc/48/13/49/531481349.db2.gz YECWIFMIWZORKC-UHFFFAOYSA-N 1 0 375.210 1.392 20 0 GDADRO CC(C)[C@@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC[N@@H+]1C ZINC000488089797 531481346 /nfs/dbraw/zinc/48/13/46/531481346.db2.gz JZCGHYQWJVRSHW-HNNXBMFYSA-N 1 0 388.921 1.198 20 0 GDADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415384487 531481503 /nfs/dbraw/zinc/48/15/03/531481503.db2.gz UASYXXWKYIAYSY-UHFFFAOYSA-N 1 0 394.273 1.486 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415397328 531482509 /nfs/dbraw/zinc/48/25/09/531482509.db2.gz QXZYNQFHRBTKDY-QMMMGPOBSA-N 1 0 376.201 1.734 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000415394259 531482584 /nfs/dbraw/zinc/48/25/84/531482584.db2.gz LZSNAELETZATSS-QMMMGPOBSA-N 1 0 376.201 1.734 20 0 GDADRO Cc1cc(F)c(NC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(I)c1 ZINC000415404519 531483400 /nfs/dbraw/zinc/48/34/00/531483400.db2.gz MXMBRLWXFPGGSG-LDYMZIIASA-N 1 0 393.200 1.441 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000415416010 531484225 /nfs/dbraw/zinc/48/42/25/531484225.db2.gz JKJNKWIPUDNSIX-SNVBAGLBSA-N 1 0 384.267 2.232 20 0 GDADRO COC(=O)CN(C)C(=O)CC[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488253069 531484938 /nfs/dbraw/zinc/48/49/38/531484938.db2.gz PFGAXVISQNTPLU-UHFFFAOYSA-N 1 0 387.274 1.265 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000544184242 531485479 /nfs/dbraw/zinc/48/54/79/531485479.db2.gz VUEJKHJRTUPANN-HZPDHXFCSA-N 1 0 375.535 1.360 20 0 GDADRO CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280312194 531487202 /nfs/dbraw/zinc/48/72/02/531487202.db2.gz OMHYERLNYKAJAE-SMDDNHRTSA-N 1 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531490784 /nfs/dbraw/zinc/49/07/84/531490784.db2.gz QJPKJQUVBDAZFE-GFCCVEGCSA-N 1 0 384.274 1.915 20 0 GDADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000268282395 531491049 /nfs/dbraw/zinc/49/10/49/531491049.db2.gz BKEBIPNKILWBQA-HZPDHXFCSA-N 1 0 383.539 1.941 20 0 GDADRO Cc1ccc(I)cc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415506342 531491132 /nfs/dbraw/zinc/49/11/32/531491132.db2.gz KSTSUTQAKWBQSH-NSHDSACASA-N 1 0 375.210 1.710 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCCCn1cc(Br)cn1 ZINC000280377033 531491340 /nfs/dbraw/zinc/49/13/40/531491340.db2.gz MKBPQPSBOBOIPI-AWEZNQCLSA-N 1 0 376.299 1.038 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000363536895 531491451 /nfs/dbraw/zinc/49/14/51/531491451.db2.gz SMAKCANVJOFYQL-GFCCVEGCSA-N 1 0 377.869 1.821 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(F)c1I ZINC000415521209 531491540 /nfs/dbraw/zinc/49/15/40/531491540.db2.gz SPJFKCONLABUPY-UHFFFAOYSA-N 1 0 393.200 1.485 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000415517039 531491704 /nfs/dbraw/zinc/49/17/04/531491704.db2.gz IIAAADNPYBBRGY-UHFFFAOYSA-N 1 0 386.246 1.290 20 0 GDADRO COCCOCC[N@H+](C)CCC(=O)Nc1cn(C)cc(Br)c1=O ZINC000635780339 531511590 /nfs/dbraw/zinc/51/15/90/531511590.db2.gz XLWQRWVPGJFSPH-UHFFFAOYSA-N 1 0 390.278 1.071 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415684058 531513610 /nfs/dbraw/zinc/51/36/10/531513610.db2.gz DPLNRMJDHUPNTP-MRXNPFEDSA-N 1 0 384.274 1.902 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000415685048 531513768 /nfs/dbraw/zinc/51/37/68/531513768.db2.gz UCCIAIZHEPHJHH-NEPJUHHUSA-N 1 0 398.305 1.930 20 0 GDADRO CN(C[C@H](O)CN1CCOCC1)C(=O)Cc1cscc1Br ZINC000295008634 531513864 /nfs/dbraw/zinc/51/38/64/531513864.db2.gz PKNYXJMCYHOMKJ-LBPRGKRZSA-N 1 0 377.304 1.205 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000415682198 531513927 /nfs/dbraw/zinc/51/39/27/531513927.db2.gz RRGKREOIABCNFT-UWVGGRQHSA-N 1 0 381.889 1.997 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363864355 531514047 /nfs/dbraw/zinc/51/40/47/531514047.db2.gz WLQNXROZCDHLLG-QWHCGFSZSA-N 1 0 389.283 1.930 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000658539521 531514768 /nfs/dbraw/zinc/51/47/68/531514768.db2.gz DCQVIPYFBMHJPA-UHFFFAOYSA-N 1 0 391.269 1.956 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000415700816 531514974 /nfs/dbraw/zinc/51/49/74/531514974.db2.gz DJEZVJQQLZXWHU-UHFFFAOYSA-N 1 0 384.274 1.520 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1CS(=O)(=O)NC)CC(C)C ZINC000489923875 531515024 /nfs/dbraw/zinc/51/50/24/531515024.db2.gz OVHPNEVEPYCSTK-HOTGVXAUSA-N 1 0 376.567 1.466 20 0 GDADRO CSc1ccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000415700896 531515376 /nfs/dbraw/zinc/51/53/76/531515376.db2.gz AKIHNYHVVHFCEW-ZDUSSCGKSA-N 1 0 382.917 1.507 20 0 GDADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489992217 531516063 /nfs/dbraw/zinc/51/60/63/531516063.db2.gz YGHGEHYUSNIUSF-HNNXBMFYSA-N 1 0 378.523 1.478 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489956811 531516533 /nfs/dbraw/zinc/51/65/33/531516533.db2.gz NVCMMUMGIGRULO-UONOGXRCSA-N 1 0 381.318 1.756 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000415709608 531516808 /nfs/dbraw/zinc/51/68/08/531516808.db2.gz PPLJNOPUIARCCB-QGZVFWFLSA-N 1 0 398.301 1.835 20 0 GDADRO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415716408 531518099 /nfs/dbraw/zinc/51/80/99/531518099.db2.gz WSNFHAGWMGWEFY-NSHDSACASA-N 1 0 389.258 1.577 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581835091 531518268 /nfs/dbraw/zinc/51/82/68/531518268.db2.gz LUUFGVXHTKYBSF-OAHLLOKOSA-N 1 0 381.318 1.947 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415553510 531494412 /nfs/dbraw/zinc/49/44/12/531494412.db2.gz RQLBSLBTYMPSDY-UHFFFAOYSA-N 1 0 394.273 1.310 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1Br ZINC000415554367 531494619 /nfs/dbraw/zinc/49/46/19/531494619.db2.gz ALOAMQYAWDIBGZ-ZJUUUORDSA-N 1 0 398.257 1.383 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415556591 531494719 /nfs/dbraw/zinc/49/47/19/531494719.db2.gz INCBGTMAXVQCHJ-WDEREUQCSA-N 1 0 384.274 1.913 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)[C@H](C)C[NH2+]1 ZINC000415565239 531495297 /nfs/dbraw/zinc/49/52/97/531495297.db2.gz OSDCDJGRVURTJX-NXEZZACHSA-N 1 0 381.889 1.949 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415566640 531495403 /nfs/dbraw/zinc/49/54/03/531495403.db2.gz JCTCWUVXQDYKJH-WDEREUQCSA-N 1 0 387.889 1.268 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000415566091 531495636 /nfs/dbraw/zinc/49/56/36/531495636.db2.gz IUPJLSUKGVBHPH-SFYZADRCSA-N 1 0 376.201 1.862 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn(C)c1I 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C[C@H](NC(=O)c1ccnc(SCC(F)(F)F)c1)C(=O)NCC[NH+](C)C ZINC000560562446 531655463 /nfs/dbraw/zinc/65/54/63/531655463.db2.gz KGMSRZPCUNQPPV-JTQLQIEISA-N 1 0 378.420 1.532 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ncnn2C)c1 ZINC000638524523 531656482 /nfs/dbraw/zinc/65/64/82/531656482.db2.gz PXEJLJSTODARLX-UHFFFAOYSA-N 1 0 382.262 1.496 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCOC[C@@H]2CCOC2)cc1Br ZINC000638521952 531656619 /nfs/dbraw/zinc/65/66/19/531656619.db2.gz MANOQENBUPMSIY-GFCCVEGCSA-N 1 0 393.303 1.239 20 0 GDADRO C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1cc(F)c(Br)cc1F ZINC000638495845 531657695 /nfs/dbraw/zinc/65/76/95/531657695.db2.gz SDOFGCZNCTXNFI-SDBXPKJASA-N 1 0 390.228 1.773 20 0 GDADRO O=S(=O)(NC[C@@H]1CCCCN1CCO)c1ccc(CC(F)(F)F)cc1 ZINC000451666076 531658760 /nfs/dbraw/zinc/65/87/60/531658760.db2.gz FVOTUOCDHDYUSI-AWEZNQCLSA-N 1 0 380.432 1.917 20 0 GDADRO CN(CCOCC[NH3+])C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000638677609 531664866 /nfs/dbraw/zinc/66/48/66/531664866.db2.gz 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O=C(NCCS(=O)(=O)NCc1ccccc1)c1cc2c(s1)CC[NH2+]C2 ZINC000662386560 531676373 /nfs/dbraw/zinc/67/63/73/531676373.db2.gz KBTPDHPDWFWQDX-UHFFFAOYSA-N 1 0 379.507 1.243 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000638938325 531676841 /nfs/dbraw/zinc/67/68/41/531676841.db2.gz BQVVHSLMQZLXFD-KOLCDFICSA-N 1 0 380.242 1.383 20 0 GDADRO COc1ccc(CNC(=O)c2cnnn2C2CC[NH2+]CC2)cc1Br ZINC000662437175 531677648 /nfs/dbraw/zinc/67/76/48/531677648.db2.gz NMWVQPFELDOFSJ-UHFFFAOYSA-N 1 0 394.273 1.904 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 ZINC000638945566 531677959 /nfs/dbraw/zinc/67/79/59/531677959.db2.gz CVGWWDDNQBHSAU-KKUMJFAQSA-N 1 0 385.555 1.925 20 0 GDADRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000662439866 531679117 /nfs/dbraw/zinc/67/91/17/531679117.db2.gz QNCJLIGYIJEUJF-HNNXBMFYSA-N 1 0 385.917 1.561 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000662456037 531679307 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CN(Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@H](O)C(F)(F)F ZINC000639175804 531685409 /nfs/dbraw/zinc/68/54/09/531685409.db2.gz UAKAKNRLKGBXGP-JTQLQIEISA-N 1 0 391.209 1.452 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)ccc1Cl ZINC000281976662 531685894 /nfs/dbraw/zinc/68/58/94/531685894.db2.gz OHORYBVXHWTWAR-GFCCVEGCSA-N 1 0 389.905 1.723 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000662562082 531686974 /nfs/dbraw/zinc/68/69/74/531686974.db2.gz SWLLJSNVKRISJB-LLVKDONJSA-N 1 0 379.262 1.626 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639210608 531687436 /nfs/dbraw/zinc/68/74/36/531687436.db2.gz HHHGGURXSDITMV-GFCCVEGCSA-N 1 0 376.320 1.623 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000662732200 531693865 /nfs/dbraw/zinc/69/38/65/531693865.db2.gz OALMBURZTNPLJF-CQSZACIVSA-N 1 0 391.331 1.854 20 0 GDADRO OC[C@@H]1CSCCN1CC(C[N@@H+]1CCSC[C@H]1CO)c1ccccc1 ZINC000639554659 531694670 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RUVPKOYTOQIJQQ-NSHDSACASA-N 1 0 399.289 1.235 20 0 GDADRO COC(=O)CN(C)C(=O)CC[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451912283 531710411 /nfs/dbraw/zinc/71/04/11/531710411.db2.gz OZYLQKIMFSNLQZ-MRXNPFEDSA-N 1 0 377.268 1.812 20 0 GDADRO COc1ccc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c(Br)c1OC ZINC000639944489 531711235 /nfs/dbraw/zinc/71/12/35/531711235.db2.gz CBQRZVYTIYCVQW-IRXDYDNUSA-N 1 0 397.269 1.951 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000269682067 531711964 /nfs/dbraw/zinc/71/19/64/531711964.db2.gz GLKLMNQPHUISIQ-CYBMUJFWSA-N 1 0 389.905 1.424 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000662941740 531701852 /nfs/dbraw/zinc/70/18/52/531701852.db2.gz BISWENKIFFXMTI-UHFFFAOYSA-N 1 0 387.311 1.838 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[C@H]1F ZINC000662945641 531701898 /nfs/dbraw/zinc/70/18/98/531701898.db2.gz SUKMDLZURDKVKB-VXGBXAGGSA-N 1 0 384.260 1.169 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CCC(C)([NH3+])CC1)C2 ZINC000662992436 531706106 /nfs/dbraw/zinc/70/61/06/531706106.db2.gz GYRHBSGJQZOJQU-UHFFFAOYSA-N 1 0 380.286 1.940 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000296586666 531706539 /nfs/dbraw/zinc/70/65/39/531706539.db2.gz JXFFJVXQIBDRJT-UHFFFAOYSA-N 1 0 388.310 1.153 20 0 GDADRO C[C@H]1NC(=O)N(CC[N@H+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1=O ZINC000639919130 531707906 /nfs/dbraw/zinc/70/79/06/531707906.db2.gz PLAFDAWALMMWKX-MFKMUULPSA-N 1 0 390.267 1.605 20 0 GDADRO Cc1cccc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1Br ZINC000269730681 531728141 /nfs/dbraw/zinc/72/81/41/531728141.db2.gz CLVUJFCLPFBHGC-UHFFFAOYSA-N 1 0 377.304 1.493 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000296824335 531728681 /nfs/dbraw/zinc/72/86/81/531728681.db2.gz ASWLOQBGRMGPFF-CYBMUJFWSA-N 1 0 380.286 1.918 20 0 GDADRO CCN(C(=O)[C@@H](C)N(C)CC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000505880489 531729006 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COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663613904 531715888 /nfs/dbraw/zinc/71/58/88/531715888.db2.gz XBKPWVJNOQNMNW-CQSZACIVSA-N 1 0 390.665 1.918 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Nc2ccnc(C)c2Br)CC[N@H+](C)C1 ZINC000591340857 531718135 /nfs/dbraw/zinc/71/81/35/531718135.db2.gz YRYFMVJRAPECMJ-NSHDSACASA-N 1 0 385.262 1.143 20 0 GDADRO CC[NH+](CC)CCSCC(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000561670818 531719165 /nfs/dbraw/zinc/71/91/65/531719165.db2.gz JAZUCWKMLVXNJZ-UHFFFAOYSA-N 1 0 387.571 1.628 20 0 GDADRO C[C@@H](NC(=O)CCOc1cccc(Br)c1)C(=O)NCC[NH+](C)C ZINC000561719987 531719646 /nfs/dbraw/zinc/71/96/46/531719646.db2.gz GDCGAYDTJDZLPF-GFCCVEGCSA-N 1 0 386.290 1.401 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCC[NH+]1CCC1 ZINC000505431561 531720283 /nfs/dbraw/zinc/72/02/83/531720283.db2.gz WKIBURQBTQSTQF-LLVKDONJSA-N 1 0 379.404 1.194 20 0 GDADRO C[NH+](C)CCN(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CC1 ZINC000505628972 531722402 /nfs/dbraw/zinc/72/24/02/531722402.db2.gz CKJXFPNADKJIOY-UHFFFAOYSA-N 1 0 394.269 1.598 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+]CCOc1ccc(I)cc1 ZINC000282295281 531734893 /nfs/dbraw/zinc/73/48/93/531734893.db2.gz CGSXHDLHYLMMCR-SNVBAGLBSA-N 1 0 383.251 1.693 20 0 GDADRO COCCCN(C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000665554107 531735898 /nfs/dbraw/zinc/73/58/98/531735898.db2.gz FVWPMXUPBVKELG-CABCVRRESA-N 1 0 375.535 1.094 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)n1 ZINC000620907160 531736995 /nfs/dbraw/zinc/73/69/95/531736995.db2.gz GKAYSRJXISXRGS-LBPRGKRZSA-N 1 0 385.306 1.898 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)n1 ZINC000620907159 531737150 /nfs/dbraw/zinc/73/71/50/531737150.db2.gz GKAYSRJXISXRGS-GFCCVEGCSA-N 1 0 385.306 1.898 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@H](C)[NH2+]1 ZINC000620899675 531737942 /nfs/dbraw/zinc/73/79/42/531737942.db2.gz NQDBWRZBTAMSMA-VHSXEESVSA-N 1 0 382.258 1.993 20 0 GDADRO COC(=O)c1cn(CC[NH2+]Cc2ccc(I)cc2)nn1 ZINC000296912442 531739135 /nfs/dbraw/zinc/73/91/35/531739135.db2.gz RLAJIMZLNZUHSO-UHFFFAOYSA-N 1 0 386.193 1.459 20 0 GDADRO Cn1cc(Br)c(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)n1 ZINC000640314638 531740094 /nfs/dbraw/zinc/74/00/94/531740094.db2.gz BKCKOAFIJBMSBI-UHFFFAOYSA-N 1 0 382.266 2.290 20 0 GDADRO Cc1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1I ZINC000296936158 531742713 /nfs/dbraw/zinc/74/27/13/531742713.db2.gz MQMYZJOPZKBAKI-UHFFFAOYSA-N 1 0 388.249 1.786 20 0 GDADRO O=C(CNS(=O)(=O)c1cccs1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640449693 531749841 /nfs/dbraw/zinc/74/98/41/531749841.db2.gz LFXRKTUOXZYAEH-UHFFFAOYSA-N 1 0 380.495 1.160 20 0 GDADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000296986951 531745796 /nfs/dbraw/zinc/74/57/96/531745796.db2.gz HLNQGTWWVOWIDR-HNNXBMFYSA-N 1 0 386.290 1.504 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCC2=CC[NH2+]CC2)s1 ZINC000416924810 531746442 /nfs/dbraw/zinc/74/64/42/531746442.db2.gz XLFPJQDBYSQZCE-UHFFFAOYSA-N 1 0 386.543 1.498 20 0 GDADRO CCN(C(=O)C[NH2+][C@@H](C)c1ccc2ncsc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000562323614 531747664 /nfs/dbraw/zinc/74/76/64/531747664.db2.gz AXIZLPMXUGRJHB-JSGCOSHPSA-N 1 0 381.523 1.983 20 0 GDADRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000416959242 531748940 /nfs/dbraw/zinc/74/89/40/531748940.db2.gz UYJGDDMMOFENKB-STQMWFEESA-N 1 0 388.921 1.245 20 0 GDADRO COC[C@]1(CNC(=O)NCCOc2cccc(Br)c2)CCC[NH2+]1 ZINC000417205794 531758438 /nfs/dbraw/zinc/75/84/38/531758438.db2.gz IUQDFAMJWUJKNI-MRXNPFEDSA-N 1 0 386.290 1.896 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000269789303 531758618 /nfs/dbraw/zinc/75/86/18/531758618.db2.gz JNHSZQNDZDGQBH-UHFFFAOYSA-N 1 0 376.906 1.862 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000417207767 531758894 /nfs/dbraw/zinc/75/88/94/531758894.db2.gz OAJKPVCUMDLQNR-LBPRGKRZSA-N 1 0 397.317 1.948 20 0 GDADRO COc1ccc(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000282479453 531759444 /nfs/dbraw/zinc/75/94/44/531759444.db2.gz JACQKEJLVJBSGJ-UHFFFAOYSA-N 1 0 375.922 1.653 20 0 GDADRO COC[C@@]1(CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000417216719 531760244 /nfs/dbraw/zinc/76/02/44/531760244.db2.gz BTQQLTXXSPYWFA-INIZCTEOSA-N 1 0 389.905 1.182 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCS(=O)(=O)c3ccc(Cl)cc3)C[C@@H]21 ZINC000417225965 531760865 /nfs/dbraw/zinc/76/08/65/531760865.db2.gz ZCUGSPUTPMOAHF-VBNZEHGJSA-N 1 0 385.917 1.883 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621848548 531760917 /nfs/dbraw/zinc/76/09/17/531760917.db2.gz ASBMPRRVNISSSG-GFCCVEGCSA-N 1 0 390.228 1.607 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000417226856 531762518 /nfs/dbraw/zinc/76/25/18/531762518.db2.gz AEUVHGHZOFTMBC-AWEZNQCLSA-N 1 0 383.290 1.477 20 0 GDADRO COCCCNC(=O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640792207 531763050 /nfs/dbraw/zinc/76/30/50/531763050.db2.gz QOFYHICSUNKZID-OAHLLOKOSA-N 1 0 382.262 1.241 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(Br)c[nH]c1=O ZINC000621927065 531763177 /nfs/dbraw/zinc/76/31/77/531763177.db2.gz CKDFRHJNRYBOCM-XBFCOCLRSA-N 1 0 384.274 1.873 20 0 GDADRO COC[C@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2ccc(Br)cc2)nn1 ZINC000640800914 531764294 /nfs/dbraw/zinc/76/42/94/531764294.db2.gz IVAGUGZUOUYENO-CMPLNLGQSA-N 1 0 382.262 1.757 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000562564784 531764783 /nfs/dbraw/zinc/76/47/83/531764783.db2.gz YRIFLPJNZZEQGB-DLBZAZTESA-N 1 0 387.929 1.959 20 0 GDADRO COCC[NH2+]CCc1cn(Cc2nc3cc(Br)ccc3[nH]2)nn1 ZINC000641162480 531780600 /nfs/dbraw/zinc/78/06/00/531780600.db2.gz OQSMZMCGACUJQO-UHFFFAOYSA-N 1 0 379.262 1.744 20 0 GDADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(Br)cn3)nn2)n1 ZINC000641147212 531780643 /nfs/dbraw/zinc/78/06/43/531780643.db2.gz ZILVRBIYRCODEQ-UHFFFAOYSA-N 1 0 376.262 1.838 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NCC2CC[NH2+]CC2)c1 ZINC000592365537 531781542 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O=C(NCc1cc(Br)ccc1OC(F)F)NC[C@H]1C[NH2+]CCO1 ZINC000417406372 531767864 /nfs/dbraw/zinc/76/78/64/531767864.db2.gz KZHGZYVWSHEWMK-LLVKDONJSA-N 1 0 394.216 1.838 20 0 GDADRO COc1cc(Br)c(Cn2cc(CN(C)CCC[NH3+])nn2)cc1OC ZINC000640861090 531769758 /nfs/dbraw/zinc/76/97/58/531769758.db2.gz WYBIBSNMQMYZJT-UHFFFAOYSA-N 1 0 398.305 1.887 20 0 GDADRO C[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)CC[N@@H+](C2CC2)C1 ZINC000452171292 531770895 /nfs/dbraw/zinc/77/08/95/531770895.db2.gz PVVSUFMNSCQBFV-LLVKDONJSA-N 1 0 384.274 1.715 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NCCc1ccc(I)s1)C1CC1 ZINC000417440436 531771906 /nfs/dbraw/zinc/77/19/06/531771906.db2.gz OCMXVLQNVOFSHZ-SNVBAGLBSA-N 1 0 379.267 1.932 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417443910 531772685 /nfs/dbraw/zinc/77/26/85/531772685.db2.gz YBDGWXVIFQUYAP-SMDDNHRTSA-N 1 0 383.290 1.606 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452356170 531772754 /nfs/dbraw/zinc/77/27/54/531772754.db2.gz 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C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623019818 531793074 /nfs/dbraw/zinc/79/30/74/531793074.db2.gz JQEOOCKNPRREPR-LLVKDONJSA-N 1 0 379.262 1.496 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000562976162 531793239 /nfs/dbraw/zinc/79/32/39/531793239.db2.gz WZEKKHIXNSLHOI-CYBMUJFWSA-N 1 0 389.315 1.953 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)Nc1ccc(Br)cc1C ZINC000592491943 531793497 /nfs/dbraw/zinc/79/34/97/531793497.db2.gz OPDVDQKDZQRQMB-CQSZACIVSA-N 1 0 384.274 1.533 20 0 GDADRO Cn1cc([C@@H]2CN(CCC(=O)Nc3ccccc3Br)C[C@H]2[NH3+])cn1 ZINC000562969910 531793489 /nfs/dbraw/zinc/79/34/89/531793489.db2.gz NHDXCWCORVCKIE-DZGCQCFKSA-N 1 0 392.301 1.938 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ncc(I)s1 ZINC000592523048 531793705 /nfs/dbraw/zinc/79/37/05/531793705.db2.gz IKWMWIKFSJMFDR-VIFPVBQESA-N 1 0 394.282 1.300 20 0 GDADRO O=C(NCC12CCC[NH+]1CCC2)c1ccc(Br)cc1-n1cnnn1 ZINC000623025741 531794434 /nfs/dbraw/zinc/79/44/34/531794434.db2.gz RQDHIRKKEFWSFX-UHFFFAOYSA-N 1 0 391.273 1.783 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)N3CC[C@@H]([NH3+])C3)C2=O)ccc1Br ZINC000418006379 531794792 /nfs/dbraw/zinc/79/47/92/531794792.db2.gz FCTCCENDIGSALI-IUODEOHRSA-N 1 0 395.301 1.996 20 0 GDADRO O=C(NCC[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccco1 ZINC000562984177 531794936 /nfs/dbraw/zinc/79/49/36/531794936.db2.gz DIKSDMLWKCQVPZ-ZDUSSCGKSA-N 1 0 383.242 1.801 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cn2ccc(Br)cc2n1 ZINC000452798189 531798403 /nfs/dbraw/zinc/79/84/03/531798403.db2.gz OGMOYWMQNXUXJU-CYBMUJFWSA-N 1 0 381.274 1.673 20 0 GDADRO OCc1cn(CCC[NH2+]Cc2ccc(F)cc2I)nn1 ZINC000418076593 531798632 /nfs/dbraw/zinc/79/86/32/531798632.db2.gz GLKBDSSPMGTWMG-UHFFFAOYSA-N 1 0 390.200 1.694 20 0 GDADRO Cc1cccc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1Br ZINC000418055375 531799574 /nfs/dbraw/zinc/79/95/74/531799574.db2.gz IRBAXKOVXHATLC-OAHLLOKOSA-N 1 0 381.318 1.947 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000512277333 531799529 /nfs/dbraw/zinc/79/95/29/531799529.db2.gz GPNWIXIKFSJGQJ-VXGBXAGGSA-N 1 0 383.297 1.486 20 0 GDADRO C[C@@H]1CCN(C(=O)NCc2nn(C)cc2I)C[C@H]1C[NH3+] ZINC000418269521 531818157 /nfs/dbraw/zinc/81/81/57/531818157.db2.gz YDQOYJMXRKVILP-NXEZZACHSA-N 1 0 391.257 1.151 20 0 GDADRO CN([C@H]1CCN(C2CC2)C1)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000669628102 531818212 /nfs/dbraw/zinc/81/82/12/531818212.db2.gz WSNMSRXNSOWLDD-NSHDSACASA-N 1 0 382.877 1.377 20 0 GDADRO Cn1cc(I)c(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000418269082 531818355 /nfs/dbraw/zinc/81/83/55/531818355.db2.gz XRVNPCYRCPHGTG-RKDXNWHRSA-N 1 0 377.230 1.094 20 0 GDADRO COc1ncc(Br)c(NCc2cccnc2N2CC[NH+](C)CC2)n1 ZINC000641309771 531802413 /nfs/dbraw/zinc/80/24/13/531802413.db2.gz AAYNIHJCIJDYTB-UHFFFAOYSA-N 1 0 393.289 2.007 20 0 GDADRO C[NH+]1CCN(CCNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000282857172 531802723 /nfs/dbraw/zinc/80/27/23/531802723.db2.gz CHJRBMAMNKOXOV-UHFFFAOYSA-N 1 0 394.313 1.413 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)CCOCCOC ZINC000269913558 531802752 /nfs/dbraw/zinc/80/27/52/531802752.db2.gz WNHKBNDPIUBWKQ-UHFFFAOYSA-N 1 0 378.560 1.885 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)C[C@@H](C)n2cc(Br)cn2)CC[N@H+](C)C1 ZINC000592806110 531804015 /nfs/dbraw/zinc/80/40/15/531804015.db2.gz LRNSHDQSOUYKKC-VXGBXAGGSA-N 1 0 387.278 1.160 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641320254 531805616 /nfs/dbraw/zinc/80/56/16/531805616.db2.gz YDOGZNOHYLNITK-JTQLQIEISA-N 1 0 390.307 1.500 20 0 GDADRO C[C@H]1CN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)[C@@H](C)C[NH2+]1 ZINC000418146394 531805706 /nfs/dbraw/zinc/80/57/06/531805706.db2.gz KPBVSBBOEHEOLQ-STQMWFEESA-N 1 0 388.921 1.400 20 0 GDADRO CC(C)CC[C@H](CO)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000623646721 531818781 /nfs/dbraw/zinc/81/87/81/531818781.db2.gz OGQAAWGONGAZJM-GFCCVEGCSA-N 1 0 379.320 1.983 20 0 GDADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCc1cccc(Br)c1 ZINC000297662686 531810588 /nfs/dbraw/zinc/81/05/88/531810588.db2.gz 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COc1cc(CS(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)sn1 ZINC000641385426 531814189 /nfs/dbraw/zinc/81/41/89/531814189.db2.gz PHKCYUQQLYCJBW-HUUCEWRRSA-N 1 0 389.543 1.339 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000418187731 531814236 /nfs/dbraw/zinc/81/42/36/531814236.db2.gz SDDMWOSCDMAPNE-LBPRGKRZSA-N 1 0 376.910 1.353 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCCNC(=O)NC[C@@H](C)[NH3+])c1 ZINC000669472384 531814527 /nfs/dbraw/zinc/81/45/27/531814527.db2.gz YAFMOSDCHPRKKC-SNVBAGLBSA-N 1 0 387.278 1.224 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418187708 531814550 /nfs/dbraw/zinc/81/45/50/531814550.db2.gz SBOYWLAKIYZWHO-KBPBESRZSA-N 1 0 388.921 1.496 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000418181565 531814902 /nfs/dbraw/zinc/81/49/02/531814902.db2.gz IQTDTNNYMIPRQM-INIZCTEOSA-N 1 0 388.921 1.307 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418183298 531814937 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20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418810192 531845109 /nfs/dbraw/zinc/84/51/09/531845109.db2.gz OEDDPPCYXUQSND-GMTAPVOTSA-N 1 0 386.315 1.599 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000641626039 531845241 /nfs/dbraw/zinc/84/52/41/531845241.db2.gz XZDYHRKQKFCWPV-WMLDXEAASA-N 1 0 388.555 1.831 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418823309 531845824 /nfs/dbraw/zinc/84/58/24/531845824.db2.gz RWBQUNMASYCBLN-MPKXVKKWSA-N 1 0 398.276 1.709 20 0 GDADRO C[C@@H]1CSCCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000671149211 531845882 /nfs/dbraw/zinc/84/58/82/531845882.db2.gz OSAFHDBDGUDDCH-HNNXBMFYSA-N 1 0 385.599 1.676 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418817695 531845930 /nfs/dbraw/zinc/84/59/30/531845930.db2.gz NEADLNILNRLINN-SLEUVZQESA-N 1 0 386.279 1.460 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)C1 ZINC000418816868 531846763 /nfs/dbraw/zinc/84/67/63/531846763.db2.gz ZAYSQRHMAKRHOO-UKKRHICBSA-N 1 0 386.315 1.678 20 0 GDADRO CC1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC[NH2+]CC1 ZINC000418819417 531846924 /nfs/dbraw/zinc/84/69/24/531846924.db2.gz DBIWKZQTXUIXFG-DZGCQCFKSA-N 1 0 394.313 1.927 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CCC1 ZINC000418827559 531847877 /nfs/dbraw/zinc/84/78/77/531847877.db2.gz LRZOLXUGTQTIJP-HAQNSBGRSA-N 1 0 398.276 1.948 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1)C1CC1 ZINC000418937281 531867332 /nfs/dbraw/zinc/86/73/32/531867332.db2.gz OEABVLAIAMLNNC-OAHLLOKOSA-N 1 0 394.313 1.841 20 0 GDADRO COCCN1CCC[C@@H](NS(=O)(=O)c2cccnc2OCC(F)F)C1 ZINC000624958045 531868160 /nfs/dbraw/zinc/86/81/60/531868160.db2.gz JTKDEJJONWQSNZ-GFCCVEGCSA-N 1 0 379.429 1.115 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3ccc(Br)cc3)[C@H]2C1 ZINC000283499622 531868737 /nfs/dbraw/zinc/86/87/37/531868737.db2.gz IMYWTICTNJMTTI-ZFWWWQNUSA-N 1 0 380.286 1.618 20 0 GDADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418945656 531868878 /nfs/dbraw/zinc/86/88/78/531868878.db2.gz QESBASNKIMBBQN-MRXNPFEDSA-N 1 0 392.297 1.979 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418853542 531855829 /nfs/dbraw/zinc/85/58/29/531855829.db2.gz YABKXHVOUUJEGD-LBPRGKRZSA-N 1 0 388.281 1.737 20 0 GDADRO NS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000642318248 531855887 /nfs/dbraw/zinc/85/58/87/531855887.db2.gz DOVBCJGVRLXSMC-AWEZNQCLSA-N 1 0 379.507 1.329 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000418858446 531856039 /nfs/dbraw/zinc/85/60/39/531856039.db2.gz WADZVZBUEBXHPO-IMJJTQAJSA-N 1 0 394.313 1.960 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418864383 531857330 /nfs/dbraw/zinc/85/73/30/531857330.db2.gz JFQRLJSWZJWJPW-CYBMUJFWSA-N 1 0 385.295 1.414 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000418861031 531857524 /nfs/dbraw/zinc/85/75/24/531857524.db2.gz DXFDNGXAZKGRAR-YPMHNXCESA-N 1 0 385.306 1.853 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418872605 531858943 /nfs/dbraw/zinc/85/89/43/531858943.db2.gz WYMMQAPWPOVNPS-OLZOCXBDSA-N 1 0 397.317 1.116 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000418870127 531859128 /nfs/dbraw/zinc/85/91/28/531859128.db2.gz RKPGEIUMUYRARU-SDDRHHMPSA-N 1 0 383.290 1.607 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000642506515 531859469 /nfs/dbraw/zinc/85/94/69/531859469.db2.gz SXEQOBJTTUVMSD-ZYHUDNBSSA-N 1 0 388.331 1.755 20 0 GDADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)C(=O)NC1CC[NH2+]CC1 ZINC000418888148 531860103 /nfs/dbraw/zinc/86/01/03/531860103.db2.gz SSVZDMRAOHLAON-LBPRGKRZSA-N 1 0 386.221 1.006 20 0 GDADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000563666403 531860451 /nfs/dbraw/zinc/86/04/51/531860451.db2.gz KZJVXVCDKIIRBP-CKEIUWERSA-N 1 0 386.539 1.657 20 0 GDADRO O=C(N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)C(=O)NC1C[NH2+]C1 ZINC000642495858 531860519 /nfs/dbraw/zinc/86/05/19/531860519.db2.gz XKGSHWBFUHYQJN-NSHDSACASA-N 1 0 394.191 1.647 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642687303 531861813 /nfs/dbraw/zinc/86/18/13/531861813.db2.gz GFKMBGOPENHXOG-FZMZJTMJSA-N 1 0 396.285 1.284 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)Oc1ccccc1Br ZINC000642777820 531862772 /nfs/dbraw/zinc/86/27/72/531862772.db2.gz DIPLKBBUYFCGAN-STQMWFEESA-N 1 0 398.301 1.591 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1Br ZINC000642740692 531862993 /nfs/dbraw/zinc/86/29/93/531862993.db2.gz BPFNQQKPSCKNJL-CQSZACIVSA-N 1 0 398.301 1.530 20 0 GDADRO CCCN(C(=O)C(=O)NCc1cc(F)cc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000418920808 531862896 /nfs/dbraw/zinc/86/28/96/531862896.db2.gz CBJXQFKOMQMZGY-CQSZACIVSA-N 1 0 386.265 1.805 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418917715 531863063 /nfs/dbraw/zinc/86/30/63/531863063.db2.gz BPBUITCQOLIMIW-ZWNOBZJWSA-N 1 0 386.265 1.491 20 0 GDADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCc1cc(F)cc(Br)c1 ZINC000418920330 531863646 /nfs/dbraw/zinc/86/36/46/531863646.db2.gz BOXDUECVZGUNGH-NSHDSACASA-N 1 0 386.265 1.710 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000563805914 531863959 /nfs/dbraw/zinc/86/39/59/531863959.db2.gz MRAMYDXRSARVPG-KBPBESRZSA-N 1 0 376.906 1.402 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418925569 531864302 /nfs/dbraw/zinc/86/43/02/531864302.db2.gz RTMJDZGTUPGGOX-ZYHUDNBSSA-N 1 0 386.265 1.443 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000672454625 531864615 /nfs/dbraw/zinc/86/46/15/531864615.db2.gz QGFZWHVSQJNFAQ-KGLIPLIRSA-N 1 0 386.543 1.152 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000595241782 531871283 /nfs/dbraw/zinc/87/12/83/531871283.db2.gz JBKIEINJPVELGU-GFCCVEGCSA-N 1 0 389.237 1.719 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1cccc(Br)c1Cl ZINC000564967168 531871338 /nfs/dbraw/zinc/87/13/38/531871338.db2.gz STRUXYKWARDCMI-SECBINFHSA-N 1 0 382.711 1.284 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000564958977 531871447 /nfs/dbraw/zinc/87/14/47/531871447.db2.gz HESLDDPMXJKXAQ-LBPRGKRZSA-N 1 0 391.921 1.702 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000595244349 531871690 /nfs/dbraw/zinc/87/16/90/531871690.db2.gz JPZNSVDZKGWWDL-QMMMGPOBSA-N 1 0 386.246 1.207 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(I)cc1C ZINC000595243695 531871846 /nfs/dbraw/zinc/87/18/46/531871846.db2.gz GONOBXAANLVGMR-VIFPVBQESA-N 1 0 375.210 1.262 20 0 GDADRO CS(=O)(=O)CCCN1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000367886353 531873648 /nfs/dbraw/zinc/87/36/48/531873648.db2.gz PEGJZZOAYQFAPG-INIZCTEOSA-N 1 0 386.539 1.278 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419032991 531884356 /nfs/dbraw/zinc/88/43/56/531884356.db2.gz BWKJCJWIFMHJRZ-DDTOSNHZSA-N 1 0 396.285 1.503 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)CC1 ZINC000418981749 531876101 /nfs/dbraw/zinc/87/61/01/531876101.db2.gz ADORBUBLTOXQGJ-LBPRGKRZSA-N 1 0 382.302 1.694 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418991358 531876189 /nfs/dbraw/zinc/87/61/89/531876189.db2.gz MPUXNPJUAXOYPU-DZGCQCFKSA-N 1 0 382.302 1.742 20 0 GDADRO O=S(=O)(c1ccccc1Cl)N1CCN(CCOC2CCOCC2)CC1 ZINC000625051592 531877093 /nfs/dbraw/zinc/87/70/93/531877093.db2.gz YWGAGOVYAXOCPM-UHFFFAOYSA-N 1 0 388.917 1.842 20 0 GDADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cccnc2OCC(F)F)CCSC1 ZINC000625044995 531877487 /nfs/dbraw/zinc/87/74/87/531877487.db2.gz QRLYFHIMCDZNEP-CQSZACIVSA-N 1 0 381.470 1.441 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000418993480 531877554 /nfs/dbraw/zinc/87/75/54/531877554.db2.gz PFLLGYLXUYBNPG-YDHLFZDLSA-N 1 0 380.286 1.569 20 0 GDADRO O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@H]1C[NH2+]CCC1(F)F ZINC000644049012 531877711 /nfs/dbraw/zinc/87/77/11/531877711.db2.gz LWJKMMMDFTWCGP-LLVKDONJSA-N 1 0 377.388 1.549 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418992155 531877736 /nfs/dbraw/zinc/87/77/36/531877736.db2.gz NMJFUWHPEAFVPO-UHFFFAOYSA-N 1 0 380.286 1.534 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000418991766 531877804 /nfs/dbraw/zinc/87/78/04/531877804.db2.gz NBQRQFKXVIFFLD-JSGCOSHPSA-N 1 0 382.302 1.551 20 0 GDADRO CNS(=O)(=O)c1cccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c1 ZINC000566093375 531878292 /nfs/dbraw/zinc/87/82/92/531878292.db2.gz YKEBTUNJBNTHPI-UHFFFAOYSA-N 1 0 380.495 1.771 20 0 GDADRO CC1(C)CN(CC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCO1 ZINC000566109950 531880203 /nfs/dbraw/zinc/88/02/03/531880203.db2.gz UKROSVZIUNGSFS-OAHLLOKOSA-N 1 0 387.318 1.889 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000566106477 531880776 /nfs/dbraw/zinc/88/07/76/531880776.db2.gz RCIHPIUSURUCRD-AWEZNQCLSA-N 1 0 382.448 1.916 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595405415 531880918 /nfs/dbraw/zinc/88/09/18/531880918.db2.gz XQGSPEQKYIXTIK-GFCCVEGCSA-N 1 0 376.500 1.266 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419019005 531881589 /nfs/dbraw/zinc/88/15/89/531881589.db2.gz IORHKLPAFSALRD-GXTWGEPZSA-N 1 0 398.301 1.879 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000419017584 531881601 /nfs/dbraw/zinc/88/16/01/531881601.db2.gz GJCKMHUPYAUKST-WCQYABFASA-N 1 0 382.258 1.339 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000419023690 531883016 /nfs/dbraw/zinc/88/30/16/531883016.db2.gz OZTFUUSMPKLUAZ-QKCSRTOESA-N 1 0 396.285 1.646 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1Br ZINC000673782676 531883520 /nfs/dbraw/zinc/88/35/20/531883520.db2.gz DYKXTURYKOMDGT-ZDUSSCGKSA-N 1 0 396.285 1.997 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418943114 531869481 /nfs/dbraw/zinc/86/94/81/531869481.db2.gz MGQSQAVTRHPNST-ZETOZRRWSA-N 1 0 380.286 1.748 20 0 GDADRO CC[C@H](CO)[NH+]1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000270553543 531892218 /nfs/dbraw/zinc/89/22/18/531892218.db2.gz RTPVFIBSVJPHDN-GFCCVEGCSA-N 1 0 381.527 1.210 20 0 GDADRO CCOC(=O)CC1([NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)CCOCC1 ZINC000595875897 531892531 /nfs/dbraw/zinc/89/25/31/531892531.db2.gz FPLRJGVORQMAHP-UHFFFAOYSA-N 1 0 390.527 1.590 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419052820 531892920 /nfs/dbraw/zinc/89/29/20/531892920.db2.gz ILNSERUYQCYIEJ-LBPRGKRZSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000419053079 531892956 /nfs/dbraw/zinc/89/29/56/531892956.db2.gz IUWPUZYRPYZJDM-CABZTGNLSA-N 1 0 387.267 1.068 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)Cc2ccccc2Br)CC1 ZINC000419054303 531893912 /nfs/dbraw/zinc/89/39/12/531893912.db2.gz LRYPKZWHXKVWKD-GFCCVEGCSA-N 1 0 382.302 1.707 20 0 GDADRO CC[C@H]([NH2+]C)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000595928747 531894083 /nfs/dbraw/zinc/89/40/83/531894083.db2.gz NJTDCPJRWLHMSO-AAEUAGOBSA-N 1 0 392.237 1.145 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419055565 531894069 /nfs/dbraw/zinc/89/40/69/531894069.db2.gz OMCZZJLVGVFBQM-YWPYICTPSA-N 1 0 382.302 1.611 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419056726 531895186 /nfs/dbraw/zinc/89/51/86/531895186.db2.gz RVGGQSQZJVDNQC-QLFBSQMISA-N 1 0 394.313 1.564 20 0 GDADRO CS(=O)(=O)NCc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)o1 ZINC000567384164 531895351 /nfs/dbraw/zinc/89/53/51/531895351.db2.gz XQPLZHBPXITRMZ-UHFFFAOYSA-N 1 0 384.483 1.505 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419057103 531895333 /nfs/dbraw/zinc/89/53/33/531895333.db2.gz SZLGGYUEYFFHGF-SJKOYZFVSA-N 1 0 382.302 1.694 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000419062118 531895944 /nfs/dbraw/zinc/89/59/44/531895944.db2.gz FEOKRJIPVDGQGG-KRWDZBQOSA-N 1 0 382.302 1.880 20 0 GDADRO C[NH+]1CCC(NC(=O)c2sc3c(c2I)CNC3)CC1 ZINC000595948381 531896086 /nfs/dbraw/zinc/89/60/86/531896086.db2.gz VMLWZRSSUQLYPL-UHFFFAOYSA-N 1 0 391.278 1.780 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000647710753 531896456 /nfs/dbraw/zinc/89/64/56/531896456.db2.gz NJNJFTVOMZZNRK-CYBMUJFWSA-N 1 0 381.274 1.596 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)c2cccc(I)c2C)nn1C ZINC000595960860 531898107 /nfs/dbraw/zinc/89/81/07/531898107.db2.gz XLFXJXINDUOYNQ-UHFFFAOYSA-N 1 0 384.221 2.353 20 0 GDADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368171498 531899094 /nfs/dbraw/zinc/89/90/94/531899094.db2.gz RGBJKFLKDFCQOR-NWDGAFQWSA-N 1 0 387.299 1.614 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000419036364 531884849 /nfs/dbraw/zinc/88/48/49/531884849.db2.gz GJGWSBQVSITVFJ-GWCFXTLKSA-N 1 0 382.258 1.339 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000419042431 531887157 /nfs/dbraw/zinc/88/71/57/531887157.db2.gz PGHDGUUOCLCWHM-SECBINFHSA-N 1 0 394.686 1.949 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000419042152 531887351 /nfs/dbraw/zinc/88/73/51/531887351.db2.gz KXWYDVPHPOWAEJ-ZJUUUORDSA-N 1 0 378.420 1.927 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000419041217 531887550 /nfs/dbraw/zinc/88/75/50/531887550.db2.gz NJRPNMYSQXSBLA-STQMWFEESA-N 1 0 382.258 1.242 20 0 GDADRO Cc1sc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000419043976 531888520 /nfs/dbraw/zinc/88/85/20/531888520.db2.gz KSWIKMJSFNZMRH-CYBMUJFWSA-N 1 0 378.885 1.866 20 0 GDADRO O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000298446420 531888785 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CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000625893251 531919083 /nfs/dbraw/zinc/91/90/83/531919083.db2.gz OICGSTRDHRBAPK-QWHCGFSZSA-N 1 0 398.305 1.943 20 0 GDADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000625975079 531921231 /nfs/dbraw/zinc/92/12/31/531921231.db2.gz RKYJGQWHAVJGCP-UZTWBRENSA-N 1 0 398.301 1.905 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(OCC(F)(F)F)nc1 ZINC000679188459 531922026 /nfs/dbraw/zinc/92/20/26/531922026.db2.gz BATGDYBEKCNIHV-LBPRGKRZSA-N 1 0 379.404 1.785 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000456582374 531922312 /nfs/dbraw/zinc/92/23/12/531922312.db2.gz LAQNNVMQNIEXKH-TZMCWYRMSA-N 1 0 396.333 1.732 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419306258 531922853 /nfs/dbraw/zinc/92/28/53/531922853.db2.gz YAHBVJMABDGJNK-OCCSQVGLSA-N 1 0 382.302 1.939 20 0 GDADRO CC(C)[C@@](C)(CO)[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000569771213 531926142 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C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)C[C@H](C)[NH2+]1 ZINC000419244164 531915834 /nfs/dbraw/zinc/91/58/34/531915834.db2.gz JVTYAPJCTMGEHU-GBIKHYSHSA-N 1 0 398.326 1.921 20 0 GDADRO Cc1csc([C@@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C2CC2)n1 ZINC000283973839 531916320 /nfs/dbraw/zinc/91/63/20/531916320.db2.gz HECLBFSXMVEEOD-SUMWQHHRSA-N 1 0 382.555 1.572 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000569811411 531930667 /nfs/dbraw/zinc/93/06/67/531930667.db2.gz VFEJCBMEXXLJEE-NSHDSACASA-N 1 0 379.404 1.194 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000419411296 531931927 /nfs/dbraw/zinc/93/19/27/531931927.db2.gz BLDYTCNNYBLEEN-VXGBXAGGSA-N 1 0 390.315 1.897 20 0 GDADRO O=C(NCc1cc(Br)ccc1OC(F)F)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419444383 531933353 /nfs/dbraw/zinc/93/33/53/531933353.db2.gz QFRPOINQVCODIM-JTQLQIEISA-N 1 0 392.200 1.145 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC000419479055 531934275 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[NH3+]CC1(NC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CCOCC1 ZINC000627044666 531943729 /nfs/dbraw/zinc/94/37/29/531943729.db2.gz CKQMCAXSEACKKM-UHFFFAOYSA-N 1 0 389.905 1.311 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC000419623133 531943798 /nfs/dbraw/zinc/94/37/98/531943798.db2.gz UFJCETSQTSXGDU-FZMZJTMJSA-N 1 0 386.290 1.432 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419622162 531944240 /nfs/dbraw/zinc/94/42/40/531944240.db2.gz GMOJFFDBWRFFNI-MJVIPROJSA-N 1 0 386.290 1.447 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 ZINC000270932396 531944798 /nfs/dbraw/zinc/94/47/98/531944798.db2.gz HPBNVBIRPMFDAX-GFCCVEGCSA-N 1 0 395.522 1.596 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Oc1ccc(Br)cc1 ZINC000419625572 531945148 /nfs/dbraw/zinc/94/51/48/531945148.db2.gz WNVGNEQWQPYAPK-ZOWXZIJZSA-N 1 0 396.285 1.153 20 0 GDADRO C[NH2+]CCOCCNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000627176786 531946683 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C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000627314635 531949682 /nfs/dbraw/zinc/94/96/82/531949682.db2.gz IRCMEYCGYOSDEJ-VIFPVBQESA-N 1 0 382.408 1.034 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000369206479 531950243 /nfs/dbraw/zinc/95/02/43/531950243.db2.gz VVWWMGUDDUVPIC-GFCCVEGCSA-N 1 0 388.511 1.696 20 0 GDADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419670822 531951012 /nfs/dbraw/zinc/95/10/12/531951012.db2.gz DZCGFFWRIWEHNM-LLVKDONJSA-N 1 0 393.285 1.662 20 0 GDADRO O=C(N[C@@H]1CCc2c1cccc2Br)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419591399 531940004 /nfs/dbraw/zinc/94/00/04/531940004.db2.gz UIHCOCKYEISAQS-BFQNTYOBSA-N 1 0 392.297 1.906 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)C1 ZINC000284435075 531958358 /nfs/dbraw/zinc/95/83/58/531958358.db2.gz YUNCBRNOWAWJFE-UONOGXRCSA-N 1 0 382.555 1.608 20 0 GDADRO CCCS(=O)(=O)N1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000457645725 531958391 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O=C(NCc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284487817 531962278 /nfs/dbraw/zinc/96/22/78/531962278.db2.gz ZLROZJQZRCRPGX-UWVGGRQHSA-N 1 0 376.404 1.521 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419674129 531952252 /nfs/dbraw/zinc/95/22/52/531952252.db2.gz JQLCWALLTMFPMV-LLVKDONJSA-N 1 0 393.285 1.662 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000627455666 531952300 /nfs/dbraw/zinc/95/23/00/531952300.db2.gz FMXKXOOGARZNEX-ZWNOBZJWSA-N 1 0 399.289 1.197 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627456076 531952715 /nfs/dbraw/zinc/95/27/15/531952715.db2.gz YGBBEXSJMKWQED-UHFFFAOYSA-N 1 0 398.301 1.422 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627455829 531953173 /nfs/dbraw/zinc/95/31/73/531953173.db2.gz NWRRCGFKHZCTNB-UHFFFAOYSA-N 1 0 398.301 1.074 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1Br ZINC000419691424 531955776 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COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419786380 531970867 /nfs/dbraw/zinc/97/08/67/531970867.db2.gz YLMNGFXCDOYMEZ-MJVIPROJSA-N 1 0 398.301 1.749 20 0 GDADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000572839993 531971757 /nfs/dbraw/zinc/97/17/57/531971757.db2.gz HANRYYKBBRZVBC-VIFPVBQESA-N 1 0 385.255 1.927 20 0 GDADRO CCS(=O)(=O)NCC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000572992497 531973637 /nfs/dbraw/zinc/97/36/37/531973637.db2.gz ODLBWRHMXOWAOZ-UHFFFAOYSA-N 1 0 378.292 1.307 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ncsc2Br)CC1 ZINC000573004759 531973786 /nfs/dbraw/zinc/97/37/86/531973786.db2.gz QSCAJLFYYCIKNO-SNVBAGLBSA-N 1 0 387.303 1.284 20 0 GDADRO CN(CC[NH2+]C1CCN(C[C@H]2CCCO2)CC1)S(=O)(=O)c1cccs1 ZINC000655734173 531974613 /nfs/dbraw/zinc/97/46/13/531974613.db2.gz BFRIYPAVNRLBBV-MRXNPFEDSA-N 1 0 387.571 1.602 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419833979 531975530 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C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000628757005 531978746 /nfs/dbraw/zinc/97/87/46/531978746.db2.gz ZTMFKGAGGSBZOP-GFCCVEGCSA-N 1 0 393.289 1.887 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000573902799 531992889 /nfs/dbraw/zinc/99/28/89/531992889.db2.gz PWESIUALUOLXEE-MRVPVSSYSA-N 1 0 376.201 1.863 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1nccn2c(Br)cnc12 ZINC000271264549 531993505 /nfs/dbraw/zinc/99/35/05/531993505.db2.gz LHLHSNPBJRXVNP-UHFFFAOYSA-N 1 0 395.305 1.201 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419995740 531993852 /nfs/dbraw/zinc/99/38/52/531993852.db2.gz IHJDSHYCVATNGG-LLVKDONJSA-N 1 0 388.331 1.975 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000420001324 531994374 /nfs/dbraw/zinc/99/43/74/531994374.db2.gz VDZIJWYXBKSZFL-SECBINFHSA-N 1 0 376.682 1.914 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000419855223 531979255 /nfs/dbraw/zinc/97/92/55/531979255.db2.gz 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20 0 GDADRO CSc1nnc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)s1 ZINC000285314768 532066351 /nfs/dbraw/zinc/06/63/51/532066351.db2.gz DOCVGJPGSSTCHJ-ZBEGNZNMSA-N 1 0 385.559 1.503 20 0 GDADRO C[C@@H](NC[C@H](O)COc1ccc(I)cc1)[C@@H]1CCC[NH2+]1 ZINC000422910081 532069481 /nfs/dbraw/zinc/06/94/81/532069481.db2.gz PPYSQQLHCRDVJG-ZLDLUXBVSA-N 1 0 390.265 1.761 20 0 GDADRO O=C(CC[NH2+]C[C@H](O)COc1cccc(Br)c1)N1CCOCC1 ZINC000322603259 532070026 /nfs/dbraw/zinc/07/00/26/532070026.db2.gz YLCUGCPPDJCSMS-AWEZNQCLSA-N 1 0 387.274 1.027 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000423087285 532070787 /nfs/dbraw/zinc/07/07/87/532070787.db2.gz NTDRNVFPOHJWOC-OCCSQVGLSA-N 1 0 382.302 1.851 20 0 GDADRO CCN(CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)S(C)(=O)=O ZINC000324449765 532072972 /nfs/dbraw/zinc/07/29/72/532072972.db2.gz DIEPPVHIRCFTNQ-CQSZACIVSA-N 1 0 378.491 1.305 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000580368632 532072438 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381.278 1.832 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1CC[C@@H](C[NH3+])C1)CC2 ZINC000332157533 532167385 /nfs/dbraw/zinc/16/73/85/532167385.db2.gz MWDQTBQUFAUPSB-LBPRGKRZSA-N 1 0 380.286 1.449 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CCC(N)=O ZINC000286659125 532167575 /nfs/dbraw/zinc/16/75/75/532167575.db2.gz ZUCIQAAXMMYPGV-VIFPVBQESA-N 1 0 375.210 1.425 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000332158757 532167786 /nfs/dbraw/zinc/16/77/86/532167786.db2.gz NFXRFGAHNMRGGF-WDEREUQCSA-N 1 0 398.276 1.669 20 0 GDADRO NS(=O)(=O)Cc1cccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1 ZINC000286685151 532169690 /nfs/dbraw/zinc/16/96/90/532169690.db2.gz GJSOTYBAEHZXOX-UHFFFAOYSA-N 1 0 380.495 1.651 20 0 GDADRO CCc1ccc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1S(N)(=O)=O ZINC000273552592 532156422 /nfs/dbraw/zinc/15/64/22/532156422.db2.gz BBAMRVZRQXNLPC-KGLIPLIRSA-N 1 0 386.543 1.406 20 0 GDADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000286529700 532157663 /nfs/dbraw/zinc/15/76/63/532157663.db2.gz KCHFKWNWTFLEJK-LSDHHAIUSA-N 1 0 388.559 1.416 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000286603215 532163190 /nfs/dbraw/zinc/16/31/90/532163190.db2.gz XHFDYFNGJGANQR-HNNXBMFYSA-N 1 0 387.311 1.014 20 0 GDADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCc2sccc2C1 ZINC000332099175 532163778 /nfs/dbraw/zinc/16/37/78/532163778.db2.gz QQBIVNLTMFFQMJ-GJZGRUSLSA-N 1 0 385.555 1.473 20 0 GDADRO CNS(=O)(=O)c1cc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1C ZINC000273677266 532164393 /nfs/dbraw/zinc/16/43/93/532164393.db2.gz JVBKLNGQBNAAMX-ZIAGYGMSSA-N 1 0 386.543 1.412 20 0 GDADRO O=C(C[N@H+]1CCC[C@H]1CCO)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000426208551 532164875 /nfs/dbraw/zinc/16/48/75/532164875.db2.gz DDJHVDWCEDDKOS-AWEZNQCLSA-N 1 0 387.311 1.884 20 0 GDADRO CC[N@H+](CCNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)CCC(F)(F)F ZINC000427200863 532177903 /nfs/dbraw/zinc/17/79/03/532177903.db2.gz SYDDTZINPLITLL-NXEZZACHSA-N 1 0 377.329 1.834 20 0 GDADRO O=C(Nc1cccc(I)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332373005 532182774 /nfs/dbraw/zinc/18/27/74/532182774.db2.gz ZFWZCNDVNFZAPH-WDEREUQCSA-N 1 0 399.232 1.298 20 0 GDADRO CC[NH+](CC)CCSCC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000427426552 532183710 /nfs/dbraw/zinc/18/37/10/532183710.db2.gz GEWCOOHHOGGAFT-UHFFFAOYSA-N 1 0 393.619 1.770 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C[C@@H]1C[NH3+] ZINC000332250735 532174734 /nfs/dbraw/zinc/17/47/34/532174734.db2.gz LQARLKLARIMYQL-PWSUYJOCSA-N 1 0 398.276 1.921 20 0 GDADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332258808 532175865 /nfs/dbraw/zinc/17/58/65/532175865.db2.gz DBTJVAQSKIEZDK-RKDXNWHRSA-N 1 0 388.212 1.734 20 0 GDADRO CSC1(CNC(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)CC[NH+](C)CC1 ZINC000332267734 532176476 /nfs/dbraw/zinc/17/64/76/532176476.db2.gz FQXNNQMRMCJZPM-CQSZACIVSA-N 1 0 377.576 1.423 20 0 GDADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cnn(C)c2Br)CC1 ZINC000274273881 532200938 /nfs/dbraw/zinc/20/09/38/532200938.db2.gz XLTKGQBAIZNZRW-UHFFFAOYSA-N 1 0 387.278 1.188 20 0 GDADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000376031236 532192771 /nfs/dbraw/zinc/19/27/71/532192771.db2.gz HCDUINUOXUVJQD-RHSMWYFYSA-N 1 0 375.535 1.647 20 0 GDADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000332546109 532194143 /nfs/dbraw/zinc/19/41/43/532194143.db2.gz GKRDNWBCWYUYKI-UFBFGSQYSA-N 1 0 388.212 1.876 20 0 GDADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332555031 532195015 /nfs/dbraw/zinc/19/50/15/532195015.db2.gz MGUKLWZFCKIAFZ-BDAKNGLRSA-N 1 0 388.212 1.734 20 0 GDADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332554285 532195281 /nfs/dbraw/zinc/19/52/81/532195281.db2.gz LSUSOEFZIPCJHF-LDYMZIIASA-N 1 0 388.212 1.876 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCC[NH2+]1 ZINC000427963109 532195363 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C[C@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)CC[NH2+]1 ZINC000332480443 532189373 /nfs/dbraw/zinc/18/93/73/532189373.db2.gz MIONJSLWNJERRU-QWRGUYRKSA-N 1 0 398.276 1.730 20 0 GDADRO Cc1nc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(Br)n1C ZINC000376320088 532206615 /nfs/dbraw/zinc/20/66/15/532206615.db2.gz GQUSTZJBNQMHBU-JQWIXIFHSA-N 1 0 391.335 1.738 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000428444214 532208243 /nfs/dbraw/zinc/20/82/43/532208243.db2.gz URPAFOGKXHSHIR-WCQYABFASA-N 1 0 389.315 1.679 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc2nccnc2c1Br)[NH+](C)C ZINC000287317069 532208507 /nfs/dbraw/zinc/20/85/07/532208507.db2.gz DYHAHTBULMBEDY-VIFPVBQESA-N 1 0 380.246 1.397 20 0 GDADRO Cc1nc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(Br)n1C ZINC000376357434 532210200 /nfs/dbraw/zinc/21/02/00/532210200.db2.gz FPHPEYWBNSNYCV-CMPLNLGQSA-N 1 0 391.335 1.738 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000332783204 532210432 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Cc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)s1 ZINC000274298815 532201577 /nfs/dbraw/zinc/20/15/77/532201577.db2.gz RWQJQMLVWSBXAS-UHFFFAOYSA-N 1 0 382.511 1.852 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000332633597 532201869 /nfs/dbraw/zinc/20/18/69/532201869.db2.gz DYPDNAPTBMOHCA-CQSZACIVSA-N 1 0 394.313 1.975 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1F ZINC000332643724 532203286 /nfs/dbraw/zinc/20/32/86/532203286.db2.gz ZERXPHCKWSTMCK-QWRGUYRKSA-N 1 0 384.249 1.903 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000287239102 532204019 /nfs/dbraw/zinc/20/40/19/532204019.db2.gz PZBZAWHOKSOEDV-ZDUSSCGKSA-N 1 0 381.523 1.907 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)NCCCn2cc(Br)cn2)CCSC1 ZINC000287614060 532227453 /nfs/dbraw/zinc/22/74/53/532227453.db2.gz MKAZLYBYSDEORP-AWEZNQCLSA-N 1 0 390.351 1.772 20 0 GDADRO COc1cc(OC)c([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)cc1Cl ZINC000429427609 532228392 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1.125 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000274798661 532234182 /nfs/dbraw/zinc/23/41/82/532234182.db2.gz ONNRNFIQMVQOGB-LLVKDONJSA-N 1 0 389.905 1.217 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc2nccnc2c1Br ZINC000287696123 532234653 /nfs/dbraw/zinc/23/46/53/532234653.db2.gz MPKPLSGSGKGIFP-NSHDSACASA-N 1 0 393.289 1.760 20 0 GDADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cncc(Br)c1 ZINC000287707976 532235958 /nfs/dbraw/zinc/23/59/58/532235958.db2.gz BPKAVEWHGRQXHC-FZMZJTMJSA-N 1 0 381.274 1.868 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429034790 532222224 /nfs/dbraw/zinc/22/22/24/532222224.db2.gz JNXWVWUIHMESIT-CYBMUJFWSA-N 1 0 383.283 1.493 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1[nH]nc(C2CC2)c1Br ZINC000274652950 532223214 /nfs/dbraw/zinc/22/32/14/532223214.db2.gz WZZIOHZADIKWAS-NSHDSACASA-N 1 0 384.322 1.805 20 0 GDADRO C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000274669057 532223810 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Cc1cc(I)ccc1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000288203442 532271275 /nfs/dbraw/zinc/27/12/75/532271275.db2.gz PQICIMVOBNXQIM-JTQLQIEISA-N 1 0 389.237 1.604 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000430641602 532254885 /nfs/dbraw/zinc/25/48/85/532254885.db2.gz MJFWRJBFWMXSIO-LBPRGKRZSA-N 1 0 383.290 1.140 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430725434 532256311 /nfs/dbraw/zinc/25/63/11/532256311.db2.gz SZJITUACZYHRKJ-SKDRFNHKSA-N 1 0 390.303 1.368 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CC[C@H](C[NH3+])C1 ZINC000430939302 532258819 /nfs/dbraw/zinc/25/88/19/532258819.db2.gz KOUVCCHYMKOGQR-NWDGAFQWSA-N 1 0 388.921 1.198 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000333933237 532258911 /nfs/dbraw/zinc/25/89/11/532258911.db2.gz HMZRCHSUFOPZKQ-LBPRGKRZSA-N 1 0 395.305 1.248 20 0 GDADRO O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000431052352 532259718 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C[NH+](C)[C@H](CC(=O)NCCS(=O)(=O)N1CCSCC1)c1ccccc1 ZINC000431790480 532273814 /nfs/dbraw/zinc/27/38/14/532273814.db2.gz HKMNWDFUZZNTHL-MRXNPFEDSA-N 1 0 385.555 1.174 20 0 GDADRO C[N@H+](CCOc1cccc(Br)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000386706470 532295537 /nfs/dbraw/zinc/29/55/37/532295537.db2.gz OPUZKDASEYMOEZ-ZDUSSCGKSA-N 1 0 377.304 1.794 20 0 GDADRO C[N@H+](CCOc1cccc(Br)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000386706468 532295721 /nfs/dbraw/zinc/29/57/21/532295721.db2.gz OPUZKDASEYMOEZ-CYBMUJFWSA-N 1 0 377.304 1.794 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N(C)C2CC([NH3+])C2)cc1OC ZINC000385014986 532295778 /nfs/dbraw/zinc/29/57/78/532295778.db2.gz NTDVYTSLOHLTIU-UHFFFAOYSA-N 1 0 379.276 1.577 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@@H](C)CCC[NH3+])cc1OC ZINC000385649493 532295795 /nfs/dbraw/zinc/29/57/95/532295795.db2.gz DXNULVSEJFIRHQ-VIFPVBQESA-N 1 0 381.292 1.872 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cn1 ZINC000288598045 532298740 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CCO[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2Br)C[C@H]1C[NH3+] ZINC000405271309 532307191 /nfs/dbraw/zinc/30/71/91/532307191.db2.gz VARIHTWRZZNJPC-DGCLKSJQSA-N 1 0 377.304 1.742 20 0 GDADRO COCCO[C@@H]1C[C@@H](CO)CN(Cc2nc3ccccn3c2Br)C1 ZINC000289485263 532325732 /nfs/dbraw/zinc/32/57/32/532325732.db2.gz BBZXBWJBVSRKQC-ZIAGYGMSSA-N 1 0 398.301 1.943 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000288851618 532309679 /nfs/dbraw/zinc/30/96/79/532309679.db2.gz WWGCSMYBTKUFLZ-NOZJJQNGSA-N 1 0 375.238 1.916 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000275890885 532313764 /nfs/dbraw/zinc/31/37/64/532313764.db2.gz NBQPDPXACKVBNX-UHFFFAOYSA-N 1 0 376.226 1.269 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289162114 532316978 /nfs/dbraw/zinc/31/69/78/532316978.db2.gz GZKLGGCKIFGKOF-CXAGYDPISA-N 1 0 385.917 1.609 20 0 GDADRO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cccc(Br)n1 ZINC000289215166 532318434 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GDADRO CO[C@@H](C[NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000289901996 532333767 /nfs/dbraw/zinc/33/37/67/532333767.db2.gz JDKQIJDENFPYFG-AWEZNQCLSA-N 1 0 384.274 1.600 20 0 GDADRO COC(=O)c1cn([C@H]2CC[N@H+](CCCc3nc(-c4ccccc4)no3)C2)nn1 ZINC000359973165 212129284 /nfs/dbraw/zinc/12/92/84/212129284.db2.gz JJFBYQBZZRLRKH-HNNXBMFYSA-N 1 0 382.424 1.994 20 0 GDADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C)s1 ZINC000333657613 570828780 /nfs/dbraw/zinc/82/87/80/570828780.db2.gz KYCQHEKEPMIEOV-HUUCEWRRSA-N 1 0 398.554 1.274 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000737522982 598852907 /nfs/dbraw/zinc/85/29/07/598852907.db2.gz FYKWBUBUZSOQRD-KRWDZBQOSA-N 1 0 379.472 1.560 20 0 GDADRO COC(=O)[C@@H]1CC12CC[NH+]([C@@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000736911104 598873636 /nfs/dbraw/zinc/87/36/36/598873636.db2.gz ZTWPGGHLKRGLBN-WFASDCNBSA-N 1 0 384.440 1.469 20 0 GDADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736252613 598874335 /nfs/dbraw/zinc/87/43/35/598874335.db2.gz QQZWIRIHBFOLIJ-TXEJJXNPSA-N 1 0 382.465 1.547 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000736858782 598875478 /nfs/dbraw/zinc/87/54/78/598875478.db2.gz BKMHFQCKQIKSOY-CHWSQXEVSA-N 1 0 396.904 1.767 20 0 GDADRO OC[C@@]1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCN(Cc2ccccc2)C1 ZINC000738394490 598900281 /nfs/dbraw/zinc/90/02/81/598900281.db2.gz RTSYNDFICLGNOL-OAQYLSRUSA-N 1 0 378.480 1.983 20 0 GDADRO O=C(C[NH2+]C1(c2ccccc2)CCOCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737896088 598917323 /nfs/dbraw/zinc/91/73/23/598917323.db2.gz SUOJOGKJZOLBPH-UHFFFAOYSA-N 1 0 392.463 1.778 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000737297680 598951957 /nfs/dbraw/zinc/95/19/57/598951957.db2.gz JRQHEGQRXPGEKX-ZIAGYGMSSA-N 1 0 392.529 1.821 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000737031314 598982915 /nfs/dbraw/zinc/98/29/15/598982915.db2.gz FMZWNJWEIZJLJN-UHFFFAOYSA-N 1 0 386.456 1.245 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000737223606 599005807 /nfs/dbraw/zinc/00/58/07/599005807.db2.gz IYGNWVQUXWJDNL-OAHLLOKOSA-N 1 0 380.518 1.820 20 0 GDADRO C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736112289 599023752 /nfs/dbraw/zinc/02/37/52/599023752.db2.gz HSXKIVWUTKHCTQ-AWEZNQCLSA-N 1 0 387.488 1.416 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736236133 599028900 /nfs/dbraw/zinc/02/89/00/599028900.db2.gz HIAYOAHOKQRWEL-OKILXGFUSA-N 1 0 387.463 1.527 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000737745306 599069441 /nfs/dbraw/zinc/06/94/41/599069441.db2.gz WEOYSHLFZIHCEC-SFHVURJKSA-N 1 0 378.436 1.978 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000736232729 599080547 /nfs/dbraw/zinc/08/05/47/599080547.db2.gz ZZYNVMSEVGUPLD-ZTFGCOKTSA-N 1 0 383.500 1.777 20 0 GDADRO NC(=O)C1(c2ccccc2)CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000737739899 599080905 /nfs/dbraw/zinc/08/09/05/599080905.db2.gz RQYKILMNFAQVRU-UHFFFAOYSA-N 1 0 392.463 1.765 20 0 GDADRO CC1CCC([NH+]2CCN([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736240825 599082034 /nfs/dbraw/zinc/08/20/34/599082034.db2.gz LZXWAKUPAOZCCT-UYJHFMRCSA-N 1 0 383.500 1.589 20 0 GDADRO Cc1nc(SCC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737483309 599091875 /nfs/dbraw/zinc/09/18/75/599091875.db2.gz NAODYQNRRLIICW-CQSZACIVSA-N 1 0 389.529 1.832 20 0 GDADRO NC(=O)[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737738010 599092619 /nfs/dbraw/zinc/09/26/19/599092619.db2.gz UAXKYLJVZUKHRD-LJQANCHMSA-N 1 0 391.479 1.779 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736225815 599101542 /nfs/dbraw/zinc/10/15/42/599101542.db2.gz DVJJMZVULVSLHA-ZYHUDNBSSA-N 1 0 391.863 1.400 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000738163635 599148656 /nfs/dbraw/zinc/14/86/56/599148656.db2.gz RLQORGDBMKXIBP-LSDHHAIUSA-N 1 0 375.408 1.069 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C1 ZINC000821160660 599211281 /nfs/dbraw/zinc/21/12/81/599211281.db2.gz OGNXOIIWUQEDRM-CQSZACIVSA-N 1 0 383.456 1.973 20 0 GDADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000736290805 599235537 /nfs/dbraw/zinc/23/55/37/599235537.db2.gz CBUYOUYNFLYJSV-OLZOCXBDSA-N 1 0 375.502 1.815 20 0 GDADRO Cc1c(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cccc1-c1nn[nH]n1 ZINC000822046113 607271416 /nfs/dbraw/zinc/27/14/16/607271416.db2.gz YCSCUZVNIZLKPE-UHFFFAOYSA-N 1 0 385.472 1.539 20 0 GDADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000737943283 599246107 /nfs/dbraw/zinc/24/61/07/599246107.db2.gz RUUXLJLRLYWXKQ-AWEZNQCLSA-N 1 0 388.497 1.140 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cnc(Cl)cn1 ZINC000821586153 607299003 /nfs/dbraw/zinc/29/90/03/607299003.db2.gz LXTFNJMDRLAKRU-UHFFFAOYSA-N 1 0 386.847 1.514 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000737007838 599281125 /nfs/dbraw/zinc/28/11/25/599281125.db2.gz POXLTKNLOJLJDO-CYBMUJFWSA-N 1 0 375.433 1.108 20 0 GDADRO CC(=O)N(Cc1noc(C)n1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735460049 599290651 /nfs/dbraw/zinc/29/06/51/599290651.db2.gz CKDOVVTYTVVBFD-INIZCTEOSA-N 1 0 382.428 1.181 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000820709793 607333297 /nfs/dbraw/zinc/33/32/97/607333297.db2.gz MBQGSDMJPUGCGM-RYUDHWBXSA-N 1 0 389.435 1.181 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821109988 607340486 /nfs/dbraw/zinc/34/04/86/607340486.db2.gz VGCOSUYGXPHNIG-UHFFFAOYSA-N 1 0 389.435 1.183 20 0 GDADRO C[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736267518 598234432 /nfs/dbraw/zinc/23/44/32/598234432.db2.gz SQUOAOMDNSQEPN-ORAYPTAESA-N 1 0 383.456 1.713 20 0 GDADRO C[NH+](C)CCOc1ccc(CCNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736770103 598234557 /nfs/dbraw/zinc/23/45/57/598234557.db2.gz ZUGRXZHHXIZJHE-UHFFFAOYSA-N 1 0 394.479 1.709 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000736637069 598263800 /nfs/dbraw/zinc/26/38/00/598263800.db2.gz ODUAQOIBGQDGJZ-KBPBESRZSA-N 1 0 387.444 1.250 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000736228501 598265336 /nfs/dbraw/zinc/26/53/36/598265336.db2.gz NZZXJXUMBYZTSR-ZIAGYGMSSA-N 1 0 393.517 1.298 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736860381 598271367 /nfs/dbraw/zinc/27/13/67/598271367.db2.gz OLTCKCYRSQBMNJ-HNNXBMFYSA-N 1 0 385.472 1.514 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)c2cccc(-c3nn[nH]n3)c2)CC1=O ZINC000736571384 598273149 /nfs/dbraw/zinc/27/31/49/598273149.db2.gz PXMZCUYISGFXMO-DOTOQJQBSA-N 1 0 397.483 1.162 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)c2cccc(-c3nn[nH]n3)c2)CC1=O ZINC000736571386 598273308 /nfs/dbraw/zinc/27/33/08/598273308.db2.gz PXMZCUYISGFXMO-RDJZCZTQSA-N 1 0 397.483 1.162 20 0 GDADRO C[C@@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000736266810 598334421 /nfs/dbraw/zinc/33/44/21/598334421.db2.gz PGNMEKAEVHRURN-CQSZACIVSA-N 1 0 383.456 1.710 20 0 GDADRO Cc1cc(NC2CC[NH+](CCO)CC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737273343 598336756 /nfs/dbraw/zinc/33/67/56/598336756.db2.gz ALMKUOHRHCZZBO-UHFFFAOYSA-N 1 0 392.467 1.845 20 0 GDADRO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000737474698 598351803 /nfs/dbraw/zinc/35/18/03/598351803.db2.gz QNDOBHXOIPHSCW-MRXNPFEDSA-N 1 0 382.472 1.866 20 0 GDADRO CC[N@H+](CCNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)C(C)C ZINC000736536545 598362085 /nfs/dbraw/zinc/36/20/85/598362085.db2.gz LOEYDQKVTOHOGY-UHFFFAOYSA-N 1 0 386.504 1.429 20 0 GDADRO CO[C@@H](C)CCNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736957465 598362317 /nfs/dbraw/zinc/36/23/17/598362317.db2.gz HLLOJIJSJZACLS-HNNXBMFYSA-N 1 0 387.488 1.509 20 0 GDADRO CC[C@@H]1CN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC[N@@H+]1CCOC ZINC000736413073 598366433 /nfs/dbraw/zinc/36/64/33/598366433.db2.gz WMJZEQWBCUFTKM-SJLPKXTDSA-N 1 0 399.499 1.015 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737844461 598368457 /nfs/dbraw/zinc/36/84/57/598368457.db2.gz UTPCHNLGISIOAY-CQSZACIVSA-N 1 0 381.444 1.199 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000736859369 598427013 /nfs/dbraw/zinc/42/70/13/598427013.db2.gz GLCAUCRKXONJCD-AWEZNQCLSA-N 1 0 376.896 1.521 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736265438 598434600 /nfs/dbraw/zinc/43/46/00/598434600.db2.gz APSPDRFAIGGVOI-CYBMUJFWSA-N 1 0 395.471 1.239 20 0 GDADRO COC1CC[NH+](C(C)(C)CNC(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736961668 598466068 /nfs/dbraw/zinc/46/60/68/598466068.db2.gz LGIADCBXWCZGMN-UHFFFAOYSA-N 1 0 388.472 1.251 20 0 GDADRO NC(=O)c1cccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000737761063 598467171 /nfs/dbraw/zinc/46/71/71/598467171.db2.gz PHAZBTNSGNONEN-UHFFFAOYSA-N 1 0 378.440 1.119 20 0 GDADRO c1cc2c(cc1C[NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)OCCO2 ZINC000738420492 598468659 /nfs/dbraw/zinc/46/86/59/598468659.db2.gz HWIJZGBNLGPTQN-UHFFFAOYSA-N 1 0 393.451 1.792 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738178595 598485978 /nfs/dbraw/zinc/48/59/78/598485978.db2.gz XGPHRLFJFKTMRE-INIZCTEOSA-N 1 0 383.456 1.282 20 0 GDADRO Cc1nc(SCC(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(-c2nn[nH]n2)c(C)c1C ZINC000737482611 598503123 /nfs/dbraw/zinc/50/31/23/598503123.db2.gz JNMQZVOANOOXMO-SNVBAGLBSA-N 1 0 389.529 1.878 20 0 GDADRO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000737108994 598519008 /nfs/dbraw/zinc/51/90/08/598519008.db2.gz MPDONLCWDLCRPR-VXGBXAGGSA-N 1 0 384.444 1.473 20 0 GDADRO CC(C)OCc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735905206 598519455 /nfs/dbraw/zinc/51/94/55/598519455.db2.gz YJXITHUKQIQVML-CQSZACIVSA-N 1 0 382.472 1.820 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000735559612 598523279 /nfs/dbraw/zinc/52/32/79/598523279.db2.gz MILXCWUKJJIBID-HNNXBMFYSA-N 1 0 399.499 1.238 20 0 GDADRO Fc1cc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)ccc1-n1ccnc1 ZINC000737645043 598526750 /nfs/dbraw/zinc/52/67/50/598526750.db2.gz OPPKOMMYDOLZAG-ZDUSSCGKSA-N 1 0 394.418 1.220 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCCCOCc1ccccc1)C2 ZINC000738432179 598528639 /nfs/dbraw/zinc/52/86/39/598528639.db2.gz DGFJQXFLBQIYQT-INIZCTEOSA-N 1 0 382.472 1.692 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccnc1)C2 ZINC000738425994 598529578 /nfs/dbraw/zinc/52/95/78/598529578.db2.gz QPERETPIQNFKQA-KDOFPFPSSA-N 1 0 387.451 1.879 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[nH]n1 ZINC000736989576 598570106 /nfs/dbraw/zinc/57/01/06/598570106.db2.gz DSJQXMYVICDFDK-UHFFFAOYSA-N 1 0 391.501 1.169 20 0 GDADRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C1 ZINC000736757387 598614324 /nfs/dbraw/zinc/61/43/24/598614324.db2.gz RSJRNMMQEDBZQA-SNVBAGLBSA-N 1 0 390.391 1.210 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000737005414 598700444 /nfs/dbraw/zinc/70/04/44/598700444.db2.gz AXPFNXGPBWYZMQ-AWEZNQCLSA-N 1 0 376.486 1.186 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736847605 598754344 /nfs/dbraw/zinc/75/43/44/598754344.db2.gz IDDSZRUZKFBBCB-SFHVURJKSA-N 1 0 383.500 1.636 20 0 GDADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000736184268 598758350 /nfs/dbraw/zinc/75/83/50/598758350.db2.gz XJAHAVWDKQYDNV-CQSZACIVSA-N 1 0 388.472 1.203 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000737287221 598761904 /nfs/dbraw/zinc/76/19/04/598761904.db2.gz CZXAOYNKOVGMCU-HOTGVXAUSA-N 1 0 383.456 1.199 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842488 598776718 /nfs/dbraw/zinc/77/67/18/598776718.db2.gz CILKANQUFHXXQU-OAHLLOKOSA-N 1 0 397.483 1.672 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738065321 598784142 /nfs/dbraw/zinc/78/41/42/598784142.db2.gz ISWBAJUKTVVDLH-UHFFFAOYSA-N 1 0 399.499 1.905 20 0 GDADRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000736129140 598787229 /nfs/dbraw/zinc/78/72/29/598787229.db2.gz CDSADCIDWZOVQN-DOMZBBRYSA-N 1 0 395.471 1.513 20 0 GDADRO COc1ncccc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000737163811 598805326 /nfs/dbraw/zinc/80/53/26/598805326.db2.gz PMKWHPFHTMCABI-UHFFFAOYSA-N 1 0 381.440 1.474 20 0 GDADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2nc3n(c2-c2nn[nH]n2)CCS3)o1 ZINC000736531084 599294048 /nfs/dbraw/zinc/29/40/48/599294048.db2.gz QCOWGUDUMFDPSU-UHFFFAOYSA-N 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CC[NH+](CC)CC1CCN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821189158 599322694 /nfs/dbraw/zinc/32/26/94/599322694.db2.gz IPUNYXHEUCMNKA-UHFFFAOYSA-N 1 0 392.529 1.750 20 0 GDADRO c1cn(C[N@H+]2CCC[C@@H]2CN2CCOCC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000823743048 599330752 /nfs/dbraw/zinc/33/07/52/599330752.db2.gz RCYWXALVVNQZHT-GOSISDBHSA-N 1 0 394.483 1.484 20 0 GDADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000735906220 599351190 /nfs/dbraw/zinc/35/11/90/599351190.db2.gz PXDBRJYUCFTCRK-UHFFFAOYSA-N 1 0 382.428 1.704 20 0 GDADRO O=C(CC[N@@H+]1CCc2n[nH]cc2C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737847467 599358276 /nfs/dbraw/zinc/35/82/76/599358276.db2.gz SNEVQWTUFXAZEY-UHFFFAOYSA-N 1 0 384.469 1.527 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000443017165 599368128 /nfs/dbraw/zinc/36/81/28/599368128.db2.gz YSBCNOVVIFBCOY-NWDGAFQWSA-N 1 0 396.904 1.767 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000821002836 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JCKSPDQLFXBBFP-UHFFFAOYSA-N 1 0 384.415 1.842 20 0 GDADRO C[C@H](CNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000820704628 599409613 /nfs/dbraw/zinc/40/96/13/599409613.db2.gz PDTHZFJZBDKVPX-HUUCEWRRSA-N 1 0 387.488 1.808 20 0 GDADRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1-c1nn[nH]n1 ZINC000821806090 599409894 /nfs/dbraw/zinc/40/98/94/599409894.db2.gz ZYDQBVSEJHPNCF-UHFFFAOYSA-N 1 0 393.451 1.665 20 0 GDADRO CC[NH+](CC)CC1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821182755 599412649 /nfs/dbraw/zinc/41/26/49/599412649.db2.gz YPUKUAAWWMYWMY-UHFFFAOYSA-N 1 0 399.499 1.177 20 0 GDADRO C[NH+](C)C1(CNC(=O)NCc2cccc(-c3nn[nH]n3)c2)Cc2ccccc2C1 ZINC000821580994 599415836 /nfs/dbraw/zinc/41/58/36/599415836.db2.gz APESSESYVUEULH-UHFFFAOYSA-N 1 0 391.479 1.765 20 0 GDADRO COc1cccc(C(=O)NCC[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000821858940 599418802 /nfs/dbraw/zinc/41/88/02/599418802.db2.gz IYUQIDGUSOEVLN-UHFFFAOYSA-N 1 0 382.424 1.404 20 0 GDADRO C[C@H](CNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000820710343 599439276 /nfs/dbraw/zinc/43/92/76/599439276.db2.gz PPGRVAFBYWLKEN-HUUCEWRRSA-N 1 0 387.488 1.665 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820979445 599443057 /nfs/dbraw/zinc/44/30/57/599443057.db2.gz IIYWSROBPSPASB-MRXNPFEDSA-N 1 0 387.488 1.809 20 0 GDADRO c1ccc2c(c1)nc(N1CC[NH+](CC3CCOCC3)CC1)cc2-c1nn[nH]n1 ZINC000738432584 599443568 /nfs/dbraw/zinc/44/35/68/599443568.db2.gz HRZUKEICTOMUEF-UHFFFAOYSA-N 1 0 379.468 1.964 20 0 GDADRO CO[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1 ZINC000821677074 599448950 /nfs/dbraw/zinc/44/89/50/599448950.db2.gz NTFJPOZXIZMSOZ-XHDPSFHLSA-N 1 0 388.863 1.736 20 0 GDADRO COc1ccccc1O[C@@H](C)C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821903401 599458425 /nfs/dbraw/zinc/45/84/25/599458425.db2.gz GCQNCZCUIRFJNQ-QWHCGFSZSA-N 1 0 384.444 1.171 20 0 GDADRO CC(C)(C)OC(=O)CCCCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000819928436 599461731 /nfs/dbraw/zinc/46/17/31/599461731.db2.gz PCIFYZSOEJGSNL-CYBMUJFWSA-N 1 0 390.492 1.597 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000738445994 599485512 /nfs/dbraw/zinc/48/55/12/599485512.db2.gz QJTCGDXMMOHQIY-UHFFFAOYSA-N 1 0 391.439 1.036 20 0 GDADRO O=C(NCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1Cl ZINC000738076338 599491449 /nfs/dbraw/zinc/49/14/49/599491449.db2.gz XIGLMPDNIONYKY-UHFFFAOYSA-N 1 0 396.842 1.687 20 0 GDADRO O=C(NCCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccc(F)c1 ZINC000738066659 599491726 /nfs/dbraw/zinc/49/17/26/599491726.db2.gz SZQJKMHHUCZBOQ-UHFFFAOYSA-N 1 0 394.414 1.563 20 0 GDADRO CCCC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000821065543 599497909 /nfs/dbraw/zinc/49/79/09/599497909.db2.gz KKAPXIDTJBRUDD-UHFFFAOYSA-N 1 0 379.490 1.191 20 0 GDADRO NS(=O)(=O)c1ccc(NCCCCC[NH+]2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000822898832 599551054 /nfs/dbraw/zinc/55/10/54/599551054.db2.gz ALHXEXYQENHCTH-UHFFFAOYSA-N 1 0 393.517 1.582 20 0 GDADRO C[NH+](C)C1(CNc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CCOCC1 ZINC000821581392 599557752 /nfs/dbraw/zinc/55/77/52/599557752.db2.gz JXQJYPQQNBOGAL-UHFFFAOYSA-N 1 0 389.410 1.638 20 0 GDADRO c1cnc(N2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)c(-c2nn[nH]n2)c1 ZINC000823810505 599560475 /nfs/dbraw/zinc/56/04/75/599560475.db2.gz ZIDYKYGDQVCOKG-UHFFFAOYSA-N 1 0 377.452 1.561 20 0 GDADRO c1cc(-c2nnc(CN3CCC[C@H]([NH+]4CCCC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823737521 599565292 /nfs/dbraw/zinc/56/52/92/599565292.db2.gz GMNZQUDVWUCRFT-INIZCTEOSA-N 1 0 380.456 1.977 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1-c1nn[nH]n1 ZINC000822312186 599607460 /nfs/dbraw/zinc/60/74/60/599607460.db2.gz CCVJNCHVESYNHR-AWEZNQCLSA-N 1 0 387.488 1.596 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000822309011 599609379 /nfs/dbraw/zinc/60/93/79/599609379.db2.gz LYQKUAXVIAVKBU-CQSZACIVSA-N 1 0 383.456 1.058 20 0 GDADRO O=C(NCCNc1ncccc1-c1nn[nH]n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738077532 599613689 /nfs/dbraw/zinc/61/36/89/599613689.db2.gz FDASXRRQQHSZQZ-OAHLLOKOSA-N 1 0 399.503 1.334 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823308455 599613878 /nfs/dbraw/zinc/61/38/78/599613878.db2.gz AXPUARIFVHADAO-CQSZACIVSA-N 1 0 383.456 1.140 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@H]1CN1CCOCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822965005 599638707 /nfs/dbraw/zinc/63/87/07/599638707.db2.gz WKKOFCGUGODXSC-SFHVURJKSA-N 1 0 399.499 1.382 20 0 GDADRO COc1ccc([C@@H](CO)[N@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821777160 599638951 /nfs/dbraw/zinc/63/89/51/599638951.db2.gz BGDFKBQIFMBUPP-GOSISDBHSA-N 1 0 396.451 1.869 20 0 GDADRO Cc1oc(NC(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1C ZINC000822548341 599641691 /nfs/dbraw/zinc/64/16/91/599641691.db2.gz ISSKNNLHGNQJMM-HNNXBMFYSA-N 1 0 387.488 1.823 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821160569 599644396 /nfs/dbraw/zinc/64/43/96/599644396.db2.gz MWLVFNQGDUYSOZ-JSGCOSHPSA-N 1 0 375.477 1.677 20 0 GDADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000820971957 599646598 /nfs/dbraw/zinc/64/65/98/599646598.db2.gz IPJRUTNADLFRBK-KPAZRMRSSA-N 1 0 383.456 1.712 20 0 GDADRO Fc1cccc(OC(F)F)c1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000822791566 599647349 /nfs/dbraw/zinc/64/73/49/599647349.db2.gz JJSSAEAIUOGFHC-SECBINFHSA-N 1 0 394.361 1.635 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000820127031 599651904 /nfs/dbraw/zinc/65/19/04/599651904.db2.gz HKICSVAVDKZIOY-FPLPWBNLSA-N 1 0 398.467 1.412 20 0 GDADRO C[C@@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820359287 599667012 /nfs/dbraw/zinc/66/70/12/599667012.db2.gz RYGGSJVIXCPYKH-CQSZACIVSA-N 1 0 386.504 1.253 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820711451 599672336 /nfs/dbraw/zinc/67/23/36/599672336.db2.gz ZJOVCHFLIFVTOX-STQMWFEESA-N 1 0 375.452 1.925 20 0 GDADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCOC1 ZINC000820341701 599676710 /nfs/dbraw/zinc/67/67/10/599676710.db2.gz RCXZJBWTAREXSF-PBHICJAKSA-N 1 0 387.488 1.365 20 0 GDADRO Cn1cccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821586385 599682477 /nfs/dbraw/zinc/68/24/77/599682477.db2.gz VMTFGWQYBJCLEA-UHFFFAOYSA-N 1 0 382.472 1.479 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821596527 599694842 /nfs/dbraw/zinc/69/48/42/599694842.db2.gz MVCUMJCHZDROOJ-AWEZNQCLSA-N 1 0 376.486 1.219 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000821690019 599696947 /nfs/dbraw/zinc/69/69/47/599696947.db2.gz WENMQLUBCKUDSZ-UHFFFAOYSA-N 1 0 386.500 1.962 20 0 GDADRO C[NH+](C)CC1CC[NH+](CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000737362248 599788119 /nfs/dbraw/zinc/78/81/19/599788119.db2.gz YPJRURIRDVWUOF-LJQANCHMSA-N 1 0 386.496 1.553 20 0 GDADRO O=C([O-])/C=C1\SCC(=O)N1CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000739624215 599850628 /nfs/dbraw/zinc/85/06/28/599850628.db2.gz JEXXGTOUYZAZTK-JXAWBTAJSA-N 1 0 397.541 1.312 20 0 GDADRO CC(C)Oc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1-c1nn[nH]n1 ZINC000820155232 607433757 /nfs/dbraw/zinc/43/37/57/607433757.db2.gz LLPRBSPYNSMYLR-UHFFFAOYSA-N 1 0 389.460 1.049 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000822224043 607494677 /nfs/dbraw/zinc/49/46/77/607494677.db2.gz UDCVAWKCFXPZKI-HNNXBMFYSA-N 1 0 392.529 1.821 20 0 GDADRO CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(C(=O)[O-])cc2OC)C[C@@H]1C ZINC000829758973 601220433 /nfs/dbraw/zinc/22/04/33/601220433.db2.gz FWCDGPZYAFXCLS-BHYGNILZSA-N 1 0 380.485 1.938 20 0 GDADRO COc1ccc(C[N@H+](C)C[C@@H]2CCCN2c2cccnn2)cc1-c1nn[nH]n1 ZINC000826192871 607496813 /nfs/dbraw/zinc/49/68/13/607496813.db2.gz GMHVRGCIGMIZMH-HNNXBMFYSA-N 1 0 380.456 1.766 20 0 GDADRO O=C(COc1ccccc1-c1nn[nH]n1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 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384.415 1.979 20 0 GDADRO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822478499 606616915 /nfs/dbraw/zinc/61/69/15/606616915.db2.gz SMEMJYYJCAJMEJ-ZFWWWQNUSA-N 1 0 380.456 1.863 20 0 GDADRO C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)C1=O ZINC000820637539 606631998 /nfs/dbraw/zinc/63/19/98/606631998.db2.gz ZHIYSWMODGPDEL-QEEYODRMSA-N 1 0 395.467 1.713 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000821689827 606632707 /nfs/dbraw/zinc/63/27/07/606632707.db2.gz OBHAJRLONNZRQW-YOEHRIQHSA-N 1 0 399.499 1.650 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000821689825 606632821 /nfs/dbraw/zinc/63/28/21/606632821.db2.gz OBHAJRLONNZRQW-RHSMWYFYSA-N 1 0 399.499 1.650 20 0 GDADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820650659 606636348 /nfs/dbraw/zinc/63/63/48/606636348.db2.gz XEICYPFYISRZHE-MGPQQGTHSA-N 1 0 378.502 1.511 20 0 GDADRO 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CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825399591 607921475 /nfs/dbraw/zinc/92/14/75/607921475.db2.gz YQOOSLNLKUEFEI-HNNXBMFYSA-N 1 0 386.456 1.486 20 0 GDADRO C[C@@H](CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000824948368 608002095 /nfs/dbraw/zinc/00/20/95/608002095.db2.gz UQEUUODWPPCTAQ-OLZOCXBDSA-N 1 0 396.492 1.546 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826077856 608019844 /nfs/dbraw/zinc/01/98/44/608019844.db2.gz XSYQWOCOCUUDHW-KGLIPLIRSA-N 1 0 380.456 1.559 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(C)cc2OC)c1-c1nn[nH]n1 ZINC000826083548 608020929 /nfs/dbraw/zinc/02/09/29/608020929.db2.gz MRLUEDLBXCZGFM-UHFFFAOYSA-N 1 0 376.446 1.373 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2coc(Br)c2)c1-c1nn[nH]n1 ZINC000826083388 608021543 /nfs/dbraw/zinc/02/15/43/608021543.db2.gz KEFRKLMFDJLEFA-UHFFFAOYSA-N 1 0 395.221 1.350 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OCC3CC3)cc2)c1-c1nn[nH]n1 ZINC000826083383 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C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cnccc2-c2nn[nH]n2)CC1 ZINC000825856639 608371330 /nfs/dbraw/zinc/37/13/30/608371330.db2.gz ZHTATMBEUBIQRA-UHFFFAOYSA-N 1 0 386.504 1.182 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C[C@@H]1C ZINC000824954921 608377120 /nfs/dbraw/zinc/37/71/20/608377120.db2.gz MBXNKPILRNXYED-KGLIPLIRSA-N 1 0 380.456 1.969 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825220373 608407554 /nfs/dbraw/zinc/40/75/54/608407554.db2.gz ROCONQPGBUIFNE-CVEARBPZSA-N 1 0 390.513 1.199 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000825934369 608414622 /nfs/dbraw/zinc/41/46/22/608414622.db2.gz OPLMYWLWXCHROC-CYBMUJFWSA-N 1 0 376.852 1.423 20 0 GDADRO c1cnc(-c2nn[nH]n2)c(NCCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000826524727 608416011 /nfs/dbraw/zinc/41/60/11/608416011.db2.gz HKXRXLARAYFGEV-UHFFFAOYSA-N 1 0 380.456 1.786 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826187663 608431299 /nfs/dbraw/zinc/43/12/99/608431299.db2.gz AVYAUPXFICBGCY-CYBMUJFWSA-N 1 0 387.465 2.000 20 0 GDADRO COc1cccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826214144 608432435 /nfs/dbraw/zinc/43/24/35/608432435.db2.gz BOQYALUPEDECAO-ZDUSSCGKSA-N 1 0 387.465 2.000 20 0 GDADRO O=S1(=O)CCC(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826497077 608450728 /nfs/dbraw/zinc/45/07/28/608450728.db2.gz UASQALFXMQSVEP-UHFFFAOYSA-N 1 0 391.497 1.535 20 0 GDADRO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599712 608462815 /nfs/dbraw/zinc/46/28/15/608462815.db2.gz RGMMRCCWYTUADX-LBPRGKRZSA-N 1 0 388.453 1.244 20 0 GDADRO O=S(=O)(NCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826491054 608505791 /nfs/dbraw/zinc/50/57/91/608505791.db2.gz RRCOWELMMYWIDX-GOSISDBHSA-N 1 0 398.492 1.812 20 0 GDADRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825840966 608511150 /nfs/dbraw/zinc/51/11/50/608511150.db2.gz SCQKDRNNTZISJY-SFHVURJKSA-N 1 0 383.500 1.386 20 0 GDADRO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824936289 608530417 /nfs/dbraw/zinc/53/04/17/608530417.db2.gz FLQJZLPVZUGLQG-BBRMVZONSA-N 1 0 397.483 1.850 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NC1CCC2(CC1)OCCO2 ZINC000826412297 608534436 /nfs/dbraw/zinc/53/44/36/608534436.db2.gz JHOWRBUUIZCMMY-UHFFFAOYSA-N 1 0 398.467 1.247 20 0 GDADRO c1csc(CC[NH+]2CCN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)c1 ZINC000826526284 608534606 /nfs/dbraw/zinc/53/46/06/608534606.db2.gz SHIGEDHANVDRGE-UHFFFAOYSA-N 1 0 394.508 1.936 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)S(C)(=O)=O ZINC000530492744 649976898 /nfs/dbraw/zinc/97/68/98/649976898.db2.gz UIJWOMZQJJZIRK-LBPRGKRZSA-N 1 0 391.331 1.808 20 0 GDADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000824598772 608576282 /nfs/dbraw/zinc/57/62/82/608576282.db2.gz IMJFAULAHNABSF-LBPRGKRZSA-N 1 0 388.453 1.244 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C[C@H]1O ZINC000824984381 608586060 /nfs/dbraw/zinc/58/60/60/608586060.db2.gz JICCMRTYVBUESH-CMPLNLGQSA-N 1 0 376.486 1.448 20 0 GDADRO CC(C)[C@@H](C(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1)[NH+](C)C ZINC000824185293 608604672 /nfs/dbraw/zinc/60/46/72/608604672.db2.gz UZOBHCNARKAXGK-DQPZFDDXSA-N 1 0 387.488 1.654 20 0 GDADRO C[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@H]1CCCN1c1cccnn1 ZINC000825992279 608684352 /nfs/dbraw/zinc/68/43/52/608684352.db2.gz SLURWLLKLUITMG-OAHLLOKOSA-N 1 0 390.455 1.405 20 0 GDADRO COc1cccc(OCC[NH+]2CCN(c3cnccc3-c3nn[nH]n3)CC2)c1 ZINC000826217355 608793635 /nfs/dbraw/zinc/79/36/35/608793635.db2.gz JAQCZQOZQZOKGD-UHFFFAOYSA-N 1 0 381.440 1.471 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000824999982 608834992 /nfs/dbraw/zinc/83/49/92/608834992.db2.gz LVAAHQXRWJPSLI-LBPRGKRZSA-N 1 0 376.428 1.244 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545471 609146174 /nfs/dbraw/zinc/14/61/74/609146174.db2.gz CQLHJSLCYHWYGE-BZNIZROVSA-N 1 0 384.419 1.586 20 0 GDADRO Cc1cc(C(=O)N2CCC[N@@H+](C(C)C)CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257466 609153056 /nfs/dbraw/zinc/15/30/56/609153056.db2.gz DPIKBFZEAZUSED-UHFFFAOYSA-N 1 0 394.483 1.917 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C1 ZINC000825391373 609159699 /nfs/dbraw/zinc/15/96/99/609159699.db2.gz YRSXGLPTSLAXCD-OAHLLOKOSA-N 1 0 394.483 1.775 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259041 609161913 /nfs/dbraw/zinc/16/19/13/609161913.db2.gz FQAXBUJOHAEUEA-XIKOKIGWSA-N 1 0 392.467 1.573 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1 ZINC000825849336 609187739 /nfs/dbraw/zinc/18/77/39/609187739.db2.gz KEQNBOLERFOHTJ-SJORKVTESA-N 1 0 384.415 1.458 20 0 GDADRO C[NH+](C)CCOc1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825870603 609220915 /nfs/dbraw/zinc/22/09/15/609220915.db2.gz ULRILGRCTAPBRN-GOSISDBHSA-N 1 0 396.451 1.157 20 0 GDADRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824536918 609239777 /nfs/dbraw/zinc/23/97/77/609239777.db2.gz AFEDHDUPJZQWJK-GDLVEWKHSA-N 1 0 384.419 1.584 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824579203 609241533 /nfs/dbraw/zinc/24/15/33/609241533.db2.gz YOMYEXLUNBPFGP-RSNWOKGLSA-N 1 0 387.419 1.377 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824885341 609245898 /nfs/dbraw/zinc/24/58/98/609245898.db2.gz SCGIESGEAMUSGF-CCKFTAQKSA-N 1 0 392.463 1.679 20 0 GDADRO O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826397565 609252752 /nfs/dbraw/zinc/25/27/52/609252752.db2.gz GSILJEFKDLJNEQ-BPQIPLTHSA-N 1 0 382.468 1.375 20 0 GDADRO CC(C)[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[NH+](C)C ZINC000824185309 609265271 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1.141 20 0 GDADRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C1 ZINC000825450780 609363056 /nfs/dbraw/zinc/36/30/56/609363056.db2.gz CXDXRDSKDPUJAB-LBPRGKRZSA-N 1 0 399.434 1.797 20 0 GDADRO CC[N@H+]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC000825444800 609363628 /nfs/dbraw/zinc/36/36/28/609363628.db2.gz REQSZEUYRVAMIS-AAEUAGOBSA-N 1 0 399.434 1.653 20 0 GDADRO CC(=O)NC1CCC([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000823988827 609414172 /nfs/dbraw/zinc/41/41/72/609414172.db2.gz KBYIDJCKYNUDBN-HTWSVDAQSA-N 1 0 397.483 1.399 20 0 GDADRO CC(C)[NH+]1CCC(N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824297590 609416105 /nfs/dbraw/zinc/41/61/05/609416105.db2.gz XJWNKKKWGGHTNQ-GOSISDBHSA-N 1 0 383.500 1.825 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC000825411734 609437077 /nfs/dbraw/zinc/43/70/77/609437077.db2.gz FAFJSOKHRBFGCE-UHFFFAOYSA-N 1 0 396.455 1.519 20 0 GDADRO Cc1c(Cl)cnc(N2CCC(C[NH+]3CCN(C)CC3)CC2)c1-c1nn[nH]n1 ZINC000826238209 609539551 /nfs/dbraw/zinc/53/95/51/609539551.db2.gz ZOSVCWMUOKXRBY-UHFFFAOYSA-N 1 0 390.923 1.687 20 0 GDADRO COC1(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000826143735 609620161 /nfs/dbraw/zinc/62/01/61/609620161.db2.gz NJQVFXKXIDKRQJ-UHFFFAOYSA-N 1 0 399.499 1.653 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000530910337 649984261 /nfs/dbraw/zinc/98/42/61/649984261.db2.gz RSTYWCSKGUJPOK-MRXNPFEDSA-N 1 0 387.933 1.875 20 0 GDADRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533248025 650047533 /nfs/dbraw/zinc/04/75/33/650047533.db2.gz NGFPLNJXAOKLBD-CYBMUJFWSA-N 1 0 393.285 1.805 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000533755896 650213108 /nfs/dbraw/zinc/21/31/08/650213108.db2.gz HTIZTDKDKCFWND-UHFFFAOYSA-N 1 0 392.312 1.993 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)c2coc(S(N)(=O)=O)c2)cc1Cl ZINC000533873573 650215214 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NS(=O)(=O)c1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000537931358 650302533 /nfs/dbraw/zinc/30/25/33/650302533.db2.gz NUVRAJMWPUVWSD-UHFFFAOYSA-N 1 0 380.495 1.437 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C[C@H](C)O1 ZINC000539067487 650327687 /nfs/dbraw/zinc/32/76/87/650327687.db2.gz PHCFYRIMMKPEHJ-TXEJJXNPSA-N 1 0 389.905 1.217 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000539279535 650332172 /nfs/dbraw/zinc/33/21/72/650332172.db2.gz FCZQWQQFKMTFGY-SNVBAGLBSA-N 1 0 393.303 1.810 20 0 GDADRO C[C@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[S@@](C)=O ZINC000540156663 650350320 /nfs/dbraw/zinc/35/03/20/650350320.db2.gz IZFGNEINNZENQU-JPMUSVJPSA-N 1 0 388.555 1.515 20 0 GDADRO CC1(C)NC(=O)N(CC[NH2+][C@@H](CCO)c2ccccc2Br)C1=O ZINC000541020865 650376534 /nfs/dbraw/zinc/37/65/34/650376534.db2.gz LAYCSOATECKSGY-ZDUSSCGKSA-N 1 0 384.274 1.793 20 0 GDADRO O=C(C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)Nc1ccc(Br)cc1 ZINC000541090508 650377742 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C[NH+](C)CCCOC1CCN(C(=O)NC[C@H]2CCCCS2(=O)=O)CC1 ZINC000543378185 650421484 /nfs/dbraw/zinc/42/14/84/650421484.db2.gz OHOFTBOBSOKVSV-MRXNPFEDSA-N 1 0 375.535 1.096 20 0 GDADRO CCS(=O)(=O)N1CCC(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000543477672 650423033 /nfs/dbraw/zinc/42/30/33/650423033.db2.gz BYLLIQLLXGQATR-AWEZNQCLSA-N 1 0 376.567 1.324 20 0 GDADRO O=C(Nc1ccncc1I)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000543710053 650428916 /nfs/dbraw/zinc/42/89/16/650428916.db2.gz XZKVGLOCQXXEMV-LLVKDONJSA-N 1 0 386.237 1.810 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000543628295 650425021 /nfs/dbraw/zinc/42/50/21/650425021.db2.gz NTXQPIITEUYOEU-CYBMUJFWSA-N 1 0 389.543 1.046 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCCO1 ZINC000544460406 650439908 /nfs/dbraw/zinc/43/99/08/650439908.db2.gz JHUBFSZVJMSTIE-TZMCWYRMSA-N 1 0 375.878 1.473 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H]1CCCO1 ZINC000544460405 650439934 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C[N@H+](CCCO)C1CCN(c2ncc(I)cn2)CC1 ZINC000545916282 650466086 /nfs/dbraw/zinc/46/60/86/650466086.db2.gz DAFHDBFSJGXDFS-UHFFFAOYSA-N 1 0 376.242 1.364 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000546632713 650482039 /nfs/dbraw/zinc/48/20/39/650482039.db2.gz WLGDBVYMKOLDPS-UHFFFAOYSA-N 1 0 376.320 1.995 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000546778753 650485871 /nfs/dbraw/zinc/48/58/71/650485871.db2.gz PJKKRLPRGAJSKP-UHFFFAOYSA-N 1 0 381.292 1.509 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000547286176 650494157 /nfs/dbraw/zinc/49/41/57/650494157.db2.gz KWVCQUNNSXXFPY-AWEZNQCLSA-N 1 0 379.766 1.480 20 0 GDADRO Cc1sc2ncnc(SCCC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2c1C ZINC000547292688 650494313 /nfs/dbraw/zinc/49/43/13/650494313.db2.gz CDXOFCRZLNASEJ-KRWDZBQOSA-N 1 0 380.539 1.973 20 0 GDADRO C[C@H](COC1CCCC1)CS(=O)(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000549372353 650575705 /nfs/dbraw/zinc/57/57/05/650575705.db2.gz GCBCANSPLDLVCK-SJORKVTESA-N 1 0 376.563 1.594 20 0 GDADRO CO[C@@H](CCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)C(F)(F)F ZINC000550002112 650586856 /nfs/dbraw/zinc/58/68/56/650586856.db2.gz QNDRESLNHDITNO-PWSUYJOCSA-N 1 0 381.420 1.551 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1Br ZINC000550425054 650592540 /nfs/dbraw/zinc/59/25/40/650592540.db2.gz JUXDXWCIAOWPDZ-AWEZNQCLSA-N 1 0 398.301 1.292 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c1OC ZINC000551169597 650600460 /nfs/dbraw/zinc/60/04/60/650600460.db2.gz UEGCNPRVAYYLKU-LLVKDONJSA-N 1 0 390.889 1.898 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c1OC ZINC000551214393 650601581 /nfs/dbraw/zinc/60/15/81/650601581.db2.gz PJEROWVYWNNBQY-LBPRGKRZSA-N 1 0 390.889 1.850 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000552082148 650618808 /nfs/dbraw/zinc/61/88/08/650618808.db2.gz IIDNPEUQHXGLIN-MNOVXSKESA-N 1 0 376.284 1.943 20 0 GDADRO C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000552082149 650618845 /nfs/dbraw/zinc/61/88/45/650618845.db2.gz IIDNPEUQHXGLIN-QWRGUYRKSA-N 1 0 376.284 1.943 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000552688794 650631060 /nfs/dbraw/zinc/63/10/60/650631060.db2.gz RPORGLRBBBRCNS-OAHLLOKOSA-N 1 0 379.592 1.191 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)CC2CCS(=O)(=O)CC2)C1 ZINC000553797811 650657968 /nfs/dbraw/zinc/65/79/68/650657968.db2.gz FZLNWXJYBPVVKQ-HLLBOEOZSA-N 1 0 392.587 1.478 20 0 GDADRO O=S(=O)(NCC[NH2+]Cc1cnc(-c2ccncc2)s1)c1cccnc1 ZINC000553878233 650662516 /nfs/dbraw/zinc/66/25/16/650662516.db2.gz RXKDCHMRRQKCRA-UHFFFAOYSA-N 1 0 375.479 1.668 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)CC[N@@H+]1C ZINC000554334860 650673406 /nfs/dbraw/zinc/67/34/06/650673406.db2.gz MFNYOTKOFKECDR-JSGCOSHPSA-N 1 0 394.313 1.933 20 0 GDADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)[N@H+](C)C1CC1 ZINC000555022830 650684538 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O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000563782157 650739989 /nfs/dbraw/zinc/73/99/89/650739989.db2.gz OUCMYCFFQHPITH-OLZOCXBDSA-N 1 0 396.285 1.297 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCO1)c1ccc2cc(Br)ccc2c1 ZINC000563948748 650744146 /nfs/dbraw/zinc/74/41/46/650744146.db2.gz VYORZQJTQZKMEL-AWEZNQCLSA-N 1 0 385.283 1.869 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000564090019 650748155 /nfs/dbraw/zinc/74/81/55/650748155.db2.gz HJZSXLDFBBJHNA-UHFFFAOYSA-N 1 0 377.938 1.853 20 0 GDADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000564329223 650754730 /nfs/dbraw/zinc/75/47/30/650754730.db2.gz QHWNKVVUGRZRQG-GOEBONIOSA-N 1 0 382.302 1.756 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000564392397 650756666 /nfs/dbraw/zinc/75/66/66/650756666.db2.gz PBGQUBDAJPSIEL-HOCLYGCPSA-N 1 0 375.535 1.168 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000564739542 650766491 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Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000564827377 650768716 /nfs/dbraw/zinc/76/87/16/650768716.db2.gz FXBSZHUMVUKXNA-CYBMUJFWSA-N 1 0 382.302 1.913 20 0 GDADRO CN(CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C(=O)c1ccc(Br)o1 ZINC000564837524 650769327 /nfs/dbraw/zinc/76/93/27/650769327.db2.gz UTURSQCEJXUQCW-QJPTWQEYSA-N 1 0 384.274 1.700 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)n1 ZINC000565316000 650792205 /nfs/dbraw/zinc/79/22/05/650792205.db2.gz UCJLHVSSJIEITG-UHFFFAOYSA-N 1 0 384.889 1.432 20 0 GDADRO CCS(=O)(=O)CCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000565359162 650793090 /nfs/dbraw/zinc/79/30/90/650793090.db2.gz QIPYTXVGVTVWDC-ZDUSSCGKSA-N 1 0 398.294 1.742 20 0 GDADRO O=C1C[C@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CN1C1CC1 ZINC000565594496 650804667 /nfs/dbraw/zinc/80/46/67/650804667.db2.gz YVTCCTFHUUVUGB-DOMZBBRYSA-N 1 0 383.286 1.789 20 0 GDADRO COc1ccc(Br)cc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000565475263 650798705 /nfs/dbraw/zinc/79/87/05/650798705.db2.gz HNYGTUAAFINYMY-UONOGXRCSA-N 1 0 379.258 1.758 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000565721384 650810313 /nfs/dbraw/zinc/81/03/13/650810313.db2.gz QJZWKAHVTPXWJB-LSDHHAIUSA-N 1 0 388.921 1.276 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1F ZINC000565782101 650813318 /nfs/dbraw/zinc/81/33/18/650813318.db2.gz COTJDCGMKHLWRR-VXGBXAGGSA-N 1 0 393.506 1.476 20 0 GDADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000565893159 650819822 /nfs/dbraw/zinc/81/98/22/650819822.db2.gz SMMXIBBNDHRBBR-OLZOCXBDSA-N 1 0 389.855 1.969 20 0 GDADRO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000565943606 650822121 /nfs/dbraw/zinc/82/21/21/650822121.db2.gz IBNIGKRWBJPTIW-CYBMUJFWSA-N 1 0 389.543 1.134 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566152842 650830099 /nfs/dbraw/zinc/83/00/99/650830099.db2.gz VFRDGEYIUOMXNH-CYBMUJFWSA-N 1 0 384.274 1.284 20 0 GDADRO C[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000566199531 650834614 /nfs/dbraw/zinc/83/46/14/650834614.db2.gz CRLPAOUSEMKGTD-QWRGUYRKSA-N 1 0 394.269 1.549 20 0 GDADRO O=C(c1ccncc1Br)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566203995 650834626 /nfs/dbraw/zinc/83/46/26/650834626.db2.gz CAKGHDYSCATRPV-LBPRGKRZSA-N 1 0 381.274 1.128 20 0 GDADRO COCC1(CNS(=O)(=O)c2cccc3c2OC(F)(F)O3)CC[NH2+]CC1 ZINC000566228715 650836438 /nfs/dbraw/zinc/83/64/38/650836438.db2.gz KWBALWLWOCGRAU-UHFFFAOYSA-N 1 0 378.397 1.303 20 0 GDADRO Cn1cc(C[C@H](CO)C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)cn1 ZINC000566231810 650836593 /nfs/dbraw/zinc/83/65/93/650836593.db2.gz UJTXNXPGJPKMKF-DZGCQCFKSA-N 1 0 388.295 1.907 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000566388510 650843828 /nfs/dbraw/zinc/84/38/28/650843828.db2.gz IECQDINRCGMDPT-CYBMUJFWSA-N 1 0 385.306 1.642 20 0 GDADRO COc1cc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1Br ZINC000566505612 650852984 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/nfs/dbraw/zinc/91/54/26/650915426.db2.gz LTPBLPWOPSHZFN-SHTZXODSSA-N 1 0 389.539 1.537 20 0 GDADRO Cc1cccc(OC[C@@H](O)C[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000567696853 650915437 /nfs/dbraw/zinc/91/54/37/650915437.db2.gz JFMCCBBFRJHUPY-HNNXBMFYSA-N 1 0 381.270 1.949 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000567710435 650916076 /nfs/dbraw/zinc/91/60/76/650916076.db2.gz LAXBOQOQQIEZQV-UHFFFAOYSA-N 1 0 387.299 1.960 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cccn1 ZINC000048785125 644394239 /nfs/dbraw/zinc/39/42/39/644394239.db2.gz CUSLFLKYSSOBNG-OCCSQVGLSA-N 1 0 385.921 1.827 20 0 GDADRO CCC[C@@H](O)[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567734705 650917712 /nfs/dbraw/zinc/91/77/12/650917712.db2.gz UTXBAZOVDVNJEE-UONOGXRCSA-N 1 0 380.304 1.334 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000567737663 650918222 /nfs/dbraw/zinc/91/82/22/650918222.db2.gz VGELTUNTUSFOSL-VHSXEESVSA-N 1 0 392.319 1.555 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000567764290 650919383 /nfs/dbraw/zinc/91/93/83/650919383.db2.gz UVIYTOJIMLPUTJ-LLVKDONJSA-N 1 0 399.220 2.197 20 0 GDADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(C)c(I)c1 ZINC000567850593 650924102 /nfs/dbraw/zinc/92/41/02/650924102.db2.gz OADOWDFVYHXICY-VIFPVBQESA-N 1 0 382.267 1.733 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000567861554 650924319 /nfs/dbraw/zinc/92/43/19/650924319.db2.gz CGCJLEVLURLXFY-RFZPGFLSSA-N 1 0 398.666 1.963 20 0 GDADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000567873438 650926292 /nfs/dbraw/zinc/92/62/92/650926292.db2.gz VVTPWNQBFICBOM-PBHICJAKSA-N 1 0 385.346 1.953 20 0 GDADRO OC[C@H](CN1CCCCC1)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000567873522 650926321 /nfs/dbraw/zinc/92/63/21/650926321.db2.gz XSFMXLJAJGHTOW-HOTGVXAUSA-N 1 0 387.318 1.625 20 0 GDADRO C[NH+]1CCC(NC(=S)NNC(=O)CSc2nc3ccccc3s2)CC1 ZINC000063143181 644519383 /nfs/dbraw/zinc/51/93/83/644519383.db2.gz UVNIRTAQDNUIBJ-UHFFFAOYSA-N 1 0 395.579 1.978 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000567911258 650928575 /nfs/dbraw/zinc/92/85/75/650928575.db2.gz SIBGBIGWPCEZMI-HNNXBMFYSA-N 1 0 385.306 1.549 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000567916814 650929691 /nfs/dbraw/zinc/92/96/91/650929691.db2.gz JKXFSEUHPWGAFM-MNOVXSKESA-N 1 0 381.420 1.486 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000066010446 644539300 /nfs/dbraw/zinc/53/93/00/644539300.db2.gz WMSQNGRQHLYUDM-HIFRSBDPSA-N 1 0 384.571 1.604 20 0 GDADRO C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000068195072 644559748 /nfs/dbraw/zinc/55/97/48/644559748.db2.gz GODNZDSPZJBCMM-BETUJISGSA-N 1 0 398.301 1.638 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000070710129 644585349 /nfs/dbraw/zinc/58/53/49/644585349.db2.gz APFZDDVQJDBNII-UHFFFAOYSA-N 1 0 382.511 1.370 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000105592405 644610198 /nfs/dbraw/zinc/61/01/98/644610198.db2.gz XHGTVEDMOATNMA-UHFFFAOYSA-N 1 0 375.441 1.477 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1Cl ZINC000108297728 644618589 /nfs/dbraw/zinc/61/85/89/644618589.db2.gz QDTDGTVMFFBUTH-CQSZACIVSA-N 1 0 385.917 1.804 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000110055290 644624157 /nfs/dbraw/zinc/62/41/57/644624157.db2.gz YYNPKSATFJKTGJ-UHFFFAOYSA-N 1 0 388.917 1.976 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000568216797 650941259 /nfs/dbraw/zinc/94/12/59/650941259.db2.gz BXSGADSGARLFGE-XHSDSOJGSA-N 1 0 389.587 1.038 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccnc(Br)c2)CC1 ZINC000135349817 644765076 /nfs/dbraw/zinc/76/50/76/644765076.db2.gz OAFDXGWCNMNOSG-UHFFFAOYSA-N 1 0 381.274 1.224 20 0 GDADRO CC(C)N(CCS(C)(=O)=O)C[C@@H](O)COc1ccc(Br)cc1 ZINC000137084557 644769466 /nfs/dbraw/zinc/76/94/66/644769466.db2.gz NSMDEPCYEKXNPF-CQSZACIVSA-N 1 0 394.331 1.944 20 0 GDADRO O=S(=O)(Cc1cccc(Cl)c1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000568279860 650950592 /nfs/dbraw/zinc/95/05/92/650950592.db2.gz RJYYBTDRVPTHJQ-ZDUSSCGKSA-N 1 0 385.839 1.596 20 0 GDADRO O=S(=O)(CCO)c1ccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000568343541 650953511 /nfs/dbraw/zinc/95/35/11/650953511.db2.gz JCGJVOWEGNTIGS-UHFFFAOYSA-N 1 0 381.416 1.778 20 0 GDADRO C[NH+](C)C1(CNC(=O)COc2ccc(C=O)cc2Br)CCOCC1 ZINC000173460317 644891301 /nfs/dbraw/zinc/89/13/01/644891301.db2.gz OLSQUBACRRQVGH-UHFFFAOYSA-N 1 0 399.285 1.867 20 0 GDADRO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Cl)nc1 ZINC000174583440 644900234 /nfs/dbraw/zinc/90/02/34/644900234.db2.gz UCAOUPQXWUOESU-LLVKDONJSA-N 1 0 382.873 1.841 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1C ZINC000179729995 644936964 /nfs/dbraw/zinc/93/69/64/644936964.db2.gz YOIWTSWNHVSJGV-GFCCVEGCSA-N 1 0 399.289 1.318 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000183193076 644967959 /nfs/dbraw/zinc/96/79/59/644967959.db2.gz IZFYXTQBIWSWAN-VIFPVBQESA-N 1 0 388.964 1.799 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000186829393 644996124 /nfs/dbraw/zinc/99/61/24/644996124.db2.gz LFCDXDXZXJGEFJ-KCJUWKMLSA-N 1 0 393.278 1.720 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@](C)(O)c1ccsc1 ZINC000192709044 645042505 /nfs/dbraw/zinc/04/25/05/645042505.db2.gz PGMBGSWRVPFHQO-MRXNPFEDSA-N 1 0 386.543 1.309 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000193412353 645050790 /nfs/dbraw/zinc/05/07/90/645050790.db2.gz BCDBNOUIVVSLHG-KWQFWETISA-N 1 0 378.248 1.634 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193457643 645052005 /nfs/dbraw/zinc/05/20/05/645052005.db2.gz VECQAHKVDULLGT-JOYOIKCWSA-N 1 0 375.288 1.803 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)s1 ZINC000193457519 645052079 /nfs/dbraw/zinc/05/20/79/645052079.db2.gz VUCATWWDDKCTHK-ZFWWWQNUSA-N 1 0 387.571 1.872 20 0 GDADRO O=C(c1cc(Br)c[nH]1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000568878802 650974981 /nfs/dbraw/zinc/97/49/81/650974981.db2.gz CUOQLTTVNNPBIK-KGLIPLIRSA-N 1 0 396.289 1.138 20 0 GDADRO CNS(=O)(=O)CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000221005857 645073218 /nfs/dbraw/zinc/07/32/18/645073218.db2.gz GRLDUBWJILKDIG-UHFFFAOYSA-N 1 0 386.109 1.850 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000236797963 645081002 /nfs/dbraw/zinc/08/10/02/645081002.db2.gz MLCHJTLCBPASQB-GXTWGEPZSA-N 1 0 387.571 1.859 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@@H](C)C[NH3+])c1 ZINC000236983014 645081850 /nfs/dbraw/zinc/08/18/50/645081850.db2.gz VZZDQWXVCWDRTF-VIFPVBQESA-N 1 0 379.276 1.594 20 0 GDADRO CC[NH2+]CCNS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C ZINC000237017970 645081902 /nfs/dbraw/zinc/08/19/02/645081902.db2.gz VXGUDLNKHCVOND-UHFFFAOYSA-N 1 0 378.292 1.604 20 0 GDADRO C[NH2+]C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000237100901 645082257 /nfs/dbraw/zinc/08/22/57/645082257.db2.gz WBTJCZLXYDRNQD-UHFFFAOYSA-N 1 0 378.248 1.730 20 0 GDADRO O=S1(=O)CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000568977060 650978944 /nfs/dbraw/zinc/97/89/44/650978944.db2.gz MGJJMJGTQRNGHE-JSGCOSHPSA-N 1 0 392.315 1.603 20 0 GDADRO COC[C@H]([NH3+])C(=O)Nc1ccc(Br)c(I)c1 ZINC000261587663 645114372 /nfs/dbraw/zinc/11/43/72/645114372.db2.gz RXXRUOVMPNFLMQ-VIFPVBQESA-N 1 0 399.026 1.966 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000261849135 645118155 /nfs/dbraw/zinc/11/81/55/645118155.db2.gz XBYVSBNVBCEJOR-RYUDHWBXSA-N 1 0 398.301 1.641 20 0 GDADRO C[C@H](CC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)C1CC[NH2+]CC1 ZINC000262654436 645135571 /nfs/dbraw/zinc/13/55/71/645135571.db2.gz WRZDHVILKLFRAT-GFCCVEGCSA-N 1 0 381.489 1.393 20 0 GDADRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000262788493 645139111 /nfs/dbraw/zinc/13/91/11/645139111.db2.gz QYLXFTVYZKTPMO-BBRMVZONSA-N 1 0 389.543 1.123 20 0 GDADRO COC(=O)C1(CS(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)CCCC1 ZINC000569053042 650982462 /nfs/dbraw/zinc/98/24/62/650982462.db2.gz HLZHKLSBNYLYCD-CABCVRRESA-N 1 0 390.571 1.561 20 0 GDADRO O=C(Nc1cnc2c(Br)cccn12)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000569118499 650984445 /nfs/dbraw/zinc/98/44/45/650984445.db2.gz SDMMTHYALNJJSC-FGWVZKOKSA-N 1 0 377.242 1.850 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)sc1Br ZINC000275596458 645175014 /nfs/dbraw/zinc/17/50/14/645175014.db2.gz GJARRNPCMNUTAT-RQJHMYQMSA-N 1 0 382.305 1.158 20 0 GDADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000292086302 645202344 /nfs/dbraw/zinc/20/23/44/645202344.db2.gz DZOOFHUANXNENC-WHOFXGATSA-N 1 0 398.301 1.185 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(Cc3nnnn3-c3ccccc3Br)C2)C1 ZINC000292089751 645202907 /nfs/dbraw/zinc/20/29/07/645202907.db2.gz GOZGWGKPXPAEDT-INIZCTEOSA-N 1 0 377.290 1.952 20 0 GDADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC000292091945 645203267 /nfs/dbraw/zinc/20/32/67/645203267.db2.gz FQAFWOFSXGADER-BLLLJJGKSA-N 1 0 398.301 1.151 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000298067983 645221929 /nfs/dbraw/zinc/22/19/29/645221929.db2.gz LTNCSROYXKPQMT-AWEZNQCLSA-N 1 0 399.333 1.689 20 0 GDADRO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)n1C ZINC000314854427 645245967 /nfs/dbraw/zinc/24/59/67/645245967.db2.gz VVTJQFOEZPDFAQ-MNOVXSKESA-N 1 0 377.308 1.396 20 0 GDADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000329088226 645295577 /nfs/dbraw/zinc/29/55/77/645295577.db2.gz VPHBMYVMNCHOEL-UONOGXRCSA-N 1 0 384.527 1.057 20 0 GDADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000329113304 645297441 /nfs/dbraw/zinc/29/74/41/645297441.db2.gz LEYRLIMYVGBDHH-KBPBESRZSA-N 1 0 385.555 1.626 20 0 GDADRO CC1(C)CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000329421421 645311692 /nfs/dbraw/zinc/31/16/92/645311692.db2.gz FJIKZAZQAUSGOR-UHFFFAOYSA-N 1 0 391.603 1.683 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)s1 ZINC000329693434 645322172 /nfs/dbraw/zinc/32/21/72/645322172.db2.gz CLTUDVLKBUPWLU-GUTXKFCHSA-N 1 0 385.555 1.761 20 0 GDADRO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(c2cncc(Br)c2)C1 ZINC000329736468 645327215 /nfs/dbraw/zinc/32/72/15/645327215.db2.gz SNSZTQBPISGAGU-LBPRGKRZSA-N 1 0 379.262 1.633 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000569556625 651003305 /nfs/dbraw/zinc/00/33/05/651003305.db2.gz OJTIKKZFHQJCJJ-UHFFFAOYSA-N 1 0 395.628 1.690 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000330598053 645381282 /nfs/dbraw/zinc/38/12/82/645381282.db2.gz DIYKALGHEHZVNK-QWHCGFSZSA-N 1 0 393.962 1.810 20 0 GDADRO [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 ZINC000569607951 651006910 /nfs/dbraw/zinc/00/69/10/651006910.db2.gz WVPMMZFNXUGUPA-HNNXBMFYSA-N 1 0 379.507 1.676 20 0 GDADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000569677004 651010043 /nfs/dbraw/zinc/01/00/43/651010043.db2.gz ZRIYYSMONWIBKE-WDEREUQCSA-N 1 0 392.884 1.149 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000569723037 651012299 /nfs/dbraw/zinc/01/22/99/651012299.db2.gz AJVVQOZQXMANFN-MNOVXSKESA-N 1 0 377.304 1.855 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000331089929 645463589 /nfs/dbraw/zinc/46/35/89/645463589.db2.gz GXSWKPIEWOZNPX-GOEBONIOSA-N 1 0 377.576 1.134 20 0 GDADRO COc1cc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)sc1S(N)(=O)=O ZINC000331339139 645502683 /nfs/dbraw/zinc/50/26/83/645502683.db2.gz MICANKDVTKKMJO-TUAOUCFPSA-N 1 0 389.543 1.500 20 0 GDADRO C[C@H]1CN(C(C)(C)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@H](C)O1 ZINC000331342864 645503900 /nfs/dbraw/zinc/50/39/00/645503900.db2.gz KVGMFCBCKGIYLK-STQMWFEESA-N 1 0 389.949 1.965 20 0 GDADRO CN1CCN(C)[C@@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000569920982 651017379 /nfs/dbraw/zinc/01/73/79/651017379.db2.gz MQWLIMYYZIPMKL-GJZGRUSLSA-N 1 0 390.297 1.163 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)s1 ZINC000331406861 645510593 /nfs/dbraw/zinc/51/05/93/645510593.db2.gz NUUDTBBXOKONRT-LBPRGKRZSA-N 1 0 389.568 1.229 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cc1 ZINC000331463338 645514768 /nfs/dbraw/zinc/51/47/68/645514768.db2.gz QGEOMHYAERRSEN-MRXNPFEDSA-N 1 0 383.539 1.434 20 0 GDADRO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000331677841 645523857 /nfs/dbraw/zinc/52/38/57/645523857.db2.gz QRILSEFUUOPQRD-LBPRGKRZSA-N 1 0 386.436 1.761 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)C2)s1 ZINC000368196278 645612567 /nfs/dbraw/zinc/61/25/67/645612567.db2.gz ZWWFPJBCLQMHHT-RDBSUJKOSA-N 1 0 389.518 1.273 20 0 GDADRO O=C(COc1ccc(I)cc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368212970 645613329 /nfs/dbraw/zinc/61/33/29/645613329.db2.gz JUZQXFAYLRKQSM-ONGXEEELSA-N 1 0 378.185 1.486 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000570201892 651029816 /nfs/dbraw/zinc/02/98/16/651029816.db2.gz MLAOTNHODAJLRO-CABCVRRESA-N 1 0 376.906 1.231 20 0 GDADRO CC(C)OC[C@H](O)CN1CCC(O)(c2scnc2Br)CC1 ZINC000369703376 645653605 /nfs/dbraw/zinc/65/36/05/645653605.db2.gz MIKSGGBNHAOBNN-LLVKDONJSA-N 1 0 379.320 1.975 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232516 645731046 /nfs/dbraw/zinc/73/10/46/645731046.db2.gz SQXZOZRUEUBWML-NWDGAFQWSA-N 1 0 391.946 1.670 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000570562425 651044416 /nfs/dbraw/zinc/04/44/16/651044416.db2.gz JPTJAPAKOKHEFJ-MVWJERBFSA-N 1 0 386.315 1.665 20 0 GDADRO CCS(=O)(=O)CC[NH2+][C@@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000372479888 645821084 /nfs/dbraw/zinc/82/10/84/645821084.db2.gz FTPSEDZYYCLTBS-CABCVRRESA-N 1 0 376.519 1.425 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCCCc2cccc(Cl)c2)CCSC1 ZINC000570638761 651048495 /nfs/dbraw/zinc/04/84/95/651048495.db2.gz GHEPUZVPZXWQMD-SFHVURJKSA-N 1 0 383.945 1.942 20 0 GDADRO O=C(COc1cccc(I)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000570680290 651050662 /nfs/dbraw/zinc/05/06/62/651050662.db2.gz OYUMAEOPQLYILR-HNNXBMFYSA-N 1 0 386.233 1.882 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000570689987 651051238 /nfs/dbraw/zinc/05/12/38/651051238.db2.gz HYIAVQXUVSUQFG-UHFFFAOYSA-N 1 0 384.271 1.601 20 0 GDADRO CCC[NH+](CCC)CCCC(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 ZINC000378120220 645867017 /nfs/dbraw/zinc/86/70/17/645867017.db2.gz MASUJYZRQFBWSM-UHFFFAOYSA-N 1 0 376.519 1.125 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415514859 645896460 /nfs/dbraw/zinc/89/64/60/645896460.db2.gz HGQIFDBZNPXNSL-SNVBAGLBSA-N 1 0 380.246 1.284 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1)C1CC1 ZINC000415537720 645897848 /nfs/dbraw/zinc/89/78/48/645897848.db2.gz PQLOEQMRGMCMMM-CYBMUJFWSA-N 1 0 395.301 1.841 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000418095006 645908811 /nfs/dbraw/zinc/90/88/11/645908811.db2.gz VLNBRRCFHAWQGJ-ZIAGYGMSSA-N 1 0 381.274 1.591 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)c1 ZINC000419070231 645910964 /nfs/dbraw/zinc/91/09/64/645910964.db2.gz OLDNHCHNMFRMDU-RISCZKNCSA-N 1 0 398.301 1.603 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000419071881 645911436 /nfs/dbraw/zinc/91/14/36/645911436.db2.gz QLMPOMGGFASOAZ-GXTWGEPZSA-N 1 0 382.302 1.817 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419166547 645912402 /nfs/dbraw/zinc/91/24/02/645912402.db2.gz PJTHHGGGPUNJNR-QGZVFWFLSA-N 1 0 380.286 1.728 20 0 GDADRO O=C(NCCCc1ccc(Br)cc1F)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419173881 645913127 /nfs/dbraw/zinc/91/31/27/645913127.db2.gz MKRFRDYSUYABNC-DOMZBBRYSA-N 1 0 398.276 1.457 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419181998 645914149 /nfs/dbraw/zinc/91/41/49/645914149.db2.gz CFBDBHAVQUMACV-GXTWGEPZSA-N 1 0 382.302 1.612 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000419382422 645915123 /nfs/dbraw/zinc/91/51/23/645915123.db2.gz ZASUZVLQPVRMGN-UHFFFAOYSA-N 1 0 394.313 1.713 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000419401593 645916098 /nfs/dbraw/zinc/91/60/98/645916098.db2.gz NTCRIDAIVTUXLP-LLVKDONJSA-N 1 0 389.283 1.471 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(OC)c(Br)c2)C1 ZINC000419437121 645917755 /nfs/dbraw/zinc/91/77/55/645917755.db2.gz FOUZJWWOFADTMB-ZDUSSCGKSA-N 1 0 398.301 1.532 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCCc2cc(Cl)ccc2Br)C1 ZINC000419490182 645920143 /nfs/dbraw/zinc/92/01/43/645920143.db2.gz DYQPWSBTBBBUQF-LBPRGKRZSA-N 1 0 388.693 1.711 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000419485577 645920159 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GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419774357 645932281 /nfs/dbraw/zinc/93/22/81/645932281.db2.gz IBORYSAEYUUCBG-ZANVPECISA-N 1 0 384.274 1.488 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000419867996 645932311 /nfs/dbraw/zinc/93/23/11/645932311.db2.gz VILXCKFJLLQDQZ-DOMZBBRYSA-N 1 0 395.301 1.623 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420055888 645933656 /nfs/dbraw/zinc/93/36/56/645933656.db2.gz GXMFAUUMXNSGOC-OAHLLOKOSA-N 1 0 398.301 1.530 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420070318 645935237 /nfs/dbraw/zinc/93/52/37/645935237.db2.gz WRMWVMLFXZQIRO-BONVTDFDSA-N 1 0 380.286 1.748 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420183833 645937666 /nfs/dbraw/zinc/93/76/66/645937666.db2.gz HTJOXJNMZXZXGR-GXFFZTMASA-N 1 0 386.265 1.790 20 0 GDADRO C[C@@H]1CN(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC[NH2+]1 ZINC000420330809 645940404 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C[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1nc2c(s1)CCC2 ZINC000421727308 646019843 /nfs/dbraw/zinc/01/98/43/646019843.db2.gz WGHJHNCWXCDNBF-PIGZYNQJSA-N 1 0 382.555 1.363 20 0 GDADRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000421879808 646023868 /nfs/dbraw/zinc/02/38/68/646023868.db2.gz NNVMTBUOKNORDU-MRVPVSSYSA-N 1 0 380.297 1.947 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCc3c2cccc3Br)CC1=O ZINC000421941858 646027123 /nfs/dbraw/zinc/02/71/23/646027123.db2.gz AUGHTIWQEFRNIX-GFCCVEGCSA-N 1 0 380.286 1.748 20 0 GDADRO C[NH+](C)C1CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000422010928 646032221 /nfs/dbraw/zinc/03/22/21/646032221.db2.gz UFEYSCSXNJRQQX-UHFFFAOYSA-N 1 0 379.935 1.669 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000422093540 646038395 /nfs/dbraw/zinc/03/83/95/646038395.db2.gz ZACFGOZBKCIJGB-JKSUJKDBSA-N 1 0 394.313 1.851 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000422114935 646041770 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C[C@@H]1CN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000423002224 646107486 /nfs/dbraw/zinc/10/74/86/646107486.db2.gz JEXGRQGMGRSHOD-BXUZGUMPSA-N 1 0 384.274 1.092 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2OC)CC1 ZINC000423005979 646108044 /nfs/dbraw/zinc/10/80/44/646108044.db2.gz TXBCXABVKWMQRE-UHFFFAOYSA-N 1 0 398.301 1.627 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000423021874 646109619 /nfs/dbraw/zinc/10/96/19/646109619.db2.gz GKALZYHLAWQYLX-QWHCGFSZSA-N 1 0 384.933 1.241 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000423029400 646109648 /nfs/dbraw/zinc/10/96/48/646109648.db2.gz VBLCHCYPCFZWJJ-UHFFFAOYSA-N 1 0 384.933 1.256 20 0 GDADRO OC[C@H](C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)Cc1ccccc1Br ZINC000423075366 646111549 /nfs/dbraw/zinc/11/15/49/646111549.db2.gz OJVZGTODAPHRBE-MORSLUCNSA-N 1 0 383.330 1.957 20 0 GDADRO C[C@H](C[C@H]1COCCN1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423095185 646112081 /nfs/dbraw/zinc/11/20/81/646112081.db2.gz DNHLCBLMVPLRSH-YPMHNXCESA-N 1 0 379.885 1.114 20 0 GDADRO COC[C@]1(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CC[NH2+]C1 ZINC000423097999 646113098 /nfs/dbraw/zinc/11/30/98/646113098.db2.gz BXPYIKQFECQOSE-INIZCTEOSA-N 1 0 394.273 1.654 20 0 GDADRO COc1cc(CNC(=O)COC2CC[NH2+]CC2)cc(Br)c1OC ZINC000423122846 646114954 /nfs/dbraw/zinc/11/49/54/646114954.db2.gz LGAYXQMNMLKFGD-UHFFFAOYSA-N 1 0 387.274 1.851 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CCO1 ZINC000423172916 646117109 /nfs/dbraw/zinc/11/71/09/646117109.db2.gz VYWKEIRRPRWUCR-GJZGRUSLSA-N 1 0 396.285 1.299 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000423237269 646120561 /nfs/dbraw/zinc/12/05/61/646120561.db2.gz HZHBZBMTDDKTTG-WFASDCNBSA-N 1 0 382.302 1.646 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423241539 646121881 /nfs/dbraw/zinc/12/18/81/646121881.db2.gz YEGTWVHBUARIOR-XHDPSFHLSA-N 1 0 398.276 1.757 20 0 GDADRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423370144 646123968 /nfs/dbraw/zinc/12/39/68/646123968.db2.gz UFADYOIZLXZRDY-KWBADKCTSA-N 1 0 376.320 1.745 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)N=[S@@](C)(=O)c3ccccc3F)C[C@@H]2C1 ZINC000916660114 660198049 /nfs/dbraw/zinc/19/80/49/660198049.db2.gz DBKCTIDPJOBBPT-PSVOKBTDSA-N 1 0 375.491 1.411 20 0 GDADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423414845 646125105 /nfs/dbraw/zinc/12/51/05/646125105.db2.gz CPVJKONEVPSAEU-ZDUSSCGKSA-N 1 0 397.317 1.071 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423451357 646125127 /nfs/dbraw/zinc/12/51/27/646125127.db2.gz GOMSWCAZFYMBDG-UHFFFAOYSA-N 1 0 382.302 1.926 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000423520813 646127386 /nfs/dbraw/zinc/12/73/86/646127386.db2.gz KOQGKQOEHVBPIG-UHFFFAOYSA-N 1 0 387.311 1.710 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)C1 ZINC000423532543 646128028 /nfs/dbraw/zinc/12/80/28/646128028.db2.gz ZWYDUMULVSHEBS-GFCCVEGCSA-N 1 0 385.295 1.462 20 0 GDADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423556438 646129590 /nfs/dbraw/zinc/12/95/90/646129590.db2.gz HBLAVIMICPJZJW-CHWSQXEVSA-N 1 0 398.301 1.545 20 0 GDADRO O=C(C(=O)N1CC[NH2+]CC1)N1CC=C(c2cccc(Br)c2)CC1 ZINC000423556092 646129657 /nfs/dbraw/zinc/12/96/57/646129657.db2.gz BOWKWPFUSHVYCL-UHFFFAOYSA-N 1 0 378.270 1.497 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423565466 646130807 /nfs/dbraw/zinc/13/08/07/646130807.db2.gz BMHXTKCHOFHQAT-DOMZBBRYSA-N 1 0 398.276 1.757 20 0 GDADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423573937 646132109 /nfs/dbraw/zinc/13/21/09/646132109.db2.gz ZIJOYRVMWRGNJE-NEPJUHHUSA-N 1 0 384.274 1.155 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423577797 646132660 /nfs/dbraw/zinc/13/26/60/646132660.db2.gz IZEMWBNRNMEUNY-UONOGXRCSA-N 1 0 394.313 1.933 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000423587315 646133950 /nfs/dbraw/zinc/13/39/50/646133950.db2.gz BZRIWNQEDUKAGS-NOLJZWGESA-N 1 0 394.313 1.993 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000423591493 646134386 /nfs/dbraw/zinc/13/43/86/646134386.db2.gz KGEVPIOMZXQTSK-OAHLLOKOSA-N 1 0 395.301 1.718 20 0 GDADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000423605666 646136573 /nfs/dbraw/zinc/13/65/73/646136573.db2.gz HEXYEYZJPWNZGP-OAHLLOKOSA-N 1 0 396.285 1.171 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000423612075 646137049 /nfs/dbraw/zinc/13/70/49/646137049.db2.gz TVHDVMDFPGRMRS-JTQLQIEISA-N 1 0 388.693 1.881 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423623093 646138005 /nfs/dbraw/zinc/13/80/05/646138005.db2.gz NOPOCQMLPGVQAM-CQSZACIVSA-N 1 0 398.301 1.756 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)C1 ZINC000423631517 646139195 /nfs/dbraw/zinc/13/91/95/646139195.db2.gz MNIZUKFALLXGHE-ZFWWWQNUSA-N 1 0 380.286 1.400 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)C1 ZINC000423660310 646140814 /nfs/dbraw/zinc/14/08/14/646140814.db2.gz JZBTZBMXDNPBOH-CQSZACIVSA-N 1 0 382.302 1.518 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000423670960 646141405 /nfs/dbraw/zinc/14/14/05/646141405.db2.gz BNAXMWFPSOQRNY-CQSZACIVSA-N 1 0 394.313 1.975 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cccc(Cl)c2Cl)[C@@H](C[NH3+])C1 ZINC000423683732 646142608 /nfs/dbraw/zinc/14/26/08/646142608.db2.gz XCUXQZGJJWVAOT-CHWSQXEVSA-N 1 0 388.295 1.917 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423678553 646142638 /nfs/dbraw/zinc/14/26/38/646142638.db2.gz CVGLEBDCXFYAEY-CABCVRRESA-N 1 0 380.286 1.760 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC000423686466 646142821 /nfs/dbraw/zinc/14/28/21/646142821.db2.gz UNGLDKPAWNZWOJ-STQMWFEESA-N 1 0 382.302 1.659 20 0 GDADRO Cc1c(C(=O)NC[C@H]2C[NH2+]CCO2)nnn1-c1cccc(Br)c1 ZINC000423992368 646150505 /nfs/dbraw/zinc/15/05/05/646150505.db2.gz OIPQOPNOAGUCHX-CYBMUJFWSA-N 1 0 380.246 1.056 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424003945 646151783 /nfs/dbraw/zinc/15/17/83/646151783.db2.gz AOTGGWOLURZYQI-QWHCGFSZSA-N 1 0 383.470 1.410 20 0 GDADRO C[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C[C@H]1C[NH3+] ZINC000424006943 646152559 /nfs/dbraw/zinc/15/25/59/646152559.db2.gz GLDIJCLXAAXBDC-UONOGXRCSA-N 1 0 385.555 1.518 20 0 GDADRO C[NH2+]CCCN(C)C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000424019229 646153266 /nfs/dbraw/zinc/15/32/66/646153266.db2.gz LMKFKXVSBQGZGU-JTQLQIEISA-N 1 0 382.258 1.502 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)Cc3ccc(Br)c(F)c3)C[C@H]2[NH3+])cn1 ZINC000424224708 646165911 /nfs/dbraw/zinc/16/59/11/646165911.db2.gz KUFRPFHBTNCVAP-SWLSCSKDSA-N 1 0 381.249 1.818 20 0 GDADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424235476 646169133 /nfs/dbraw/zinc/16/91/33/646169133.db2.gz KZNMFHCMZDIEBE-XFBWCDHKSA-N 1 0 393.285 1.903 20 0 GDADRO Cn1cc([C@@H]2CN([C@H](C(N)=O)c3ccc(Br)cc3)C[C@H]2[NH3+])cn1 ZINC000424284072 646173961 /nfs/dbraw/zinc/17/39/61/646173961.db2.gz BWQPMKOMFDVDQN-ZNMIVQPWSA-N 1 0 378.274 1.136 20 0 GDADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000439440415 646232151 /nfs/dbraw/zinc/23/21/51/646232151.db2.gz PYTIWABMLYHSMA-LSDHHAIUSA-N 1 0 389.265 1.344 20 0 GDADRO O=C(Cn1cc(Br)cn1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440517357 646247022 /nfs/dbraw/zinc/24/70/22/646247022.db2.gz SLQSBTQHAIYOMF-KRWDZBQOSA-N 1 0 393.285 1.399 20 0 GDADRO O=S(=O)(NCCN1CC[NH2+]CC1)c1ccc2cc(Br)ccc2c1 ZINC000440730462 646252920 /nfs/dbraw/zinc/25/29/20/646252920.db2.gz IELDMBYKNKTLAR-UHFFFAOYSA-N 1 0 398.326 1.786 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000440744255 646254167 /nfs/dbraw/zinc/25/41/67/646254167.db2.gz CLDJUOFMFAGYKA-GZMMTYOYSA-N 1 0 381.267 1.955 20 0 GDADRO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CN1C1CC1 ZINC000441344833 646254656 /nfs/dbraw/zinc/25/46/56/646254656.db2.gz FBJMSWIOWGWJCD-AAEUAGOBSA-N 1 0 375.897 1.972 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC[N@@H+]1C ZINC000442140200 646262948 /nfs/dbraw/zinc/26/29/48/646262948.db2.gz SCBQCVCTWBQZBE-MNOVXSKESA-N 1 0 387.889 1.281 20 0 GDADRO COc1ncc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)s1 ZINC000917745278 660221001 /nfs/dbraw/zinc/22/10/01/660221001.db2.gz CQMAMGCVLZZYDH-GFCCVEGCSA-N 1 0 375.516 1.416 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1F ZINC000917755009 660221403 /nfs/dbraw/zinc/22/14/03/660221403.db2.gz UNPRVAFVBWTFBV-GFCCVEGCSA-N 1 0 378.441 1.705 20 0 GDADRO Cn1cc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c(I)n1 ZINC000895026885 658649658 /nfs/dbraw/zinc/64/96/58/658649658.db2.gz YZKOSKKJYGFAKG-UHFFFAOYSA-N 1 0 393.269 1.682 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000903528786 659330297 /nfs/dbraw/zinc/33/02/97/659330297.db2.gz WFOGXNQHPYCKNQ-VXNVDRBHSA-N 1 0 393.694 1.636 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000918476999 660236113 /nfs/dbraw/zinc/23/61/13/660236113.db2.gz BLZAAYYRRRYHSY-JTQLQIEISA-N 1 0 398.257 1.369 20 0 GDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cnc(Br)cn3)C2)CC1 ZINC000918907321 660242626 /nfs/dbraw/zinc/24/26/26/660242626.db2.gz XCAHQSLNXKATDU-GFCCVEGCSA-N 1 0 397.321 1.207 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000918954957 660243846 /nfs/dbraw/zinc/24/38/46/660243846.db2.gz APOUBYDNRUNVJW-AWEZNQCLSA-N 1 0 395.294 1.665 20 0 GDADRO Cc1cc(Br)c(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000443157919 647184925 /nfs/dbraw/zinc/18/49/25/647184925.db2.gz SODJSNROKPTHQI-NSHDSACASA-N 1 0 397.360 1.944 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000443220551 647189244 /nfs/dbraw/zinc/18/92/44/647189244.db2.gz AGMNFLPLZHLAHQ-SNVBAGLBSA-N 1 0 392.319 1.557 20 0 GDADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000443701714 647220800 /nfs/dbraw/zinc/22/08/00/647220800.db2.gz ZHPZATKFUOPOJR-UHFFFAOYSA-N 1 0 384.889 1.736 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2SC)CC1 ZINC000444072843 647238910 /nfs/dbraw/zinc/23/89/10/647238910.db2.gz ITRPZPQKELVDIM-UHFFFAOYSA-N 1 0 385.555 1.583 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)nc1F)C2 ZINC000920273436 660268407 /nfs/dbraw/zinc/26/84/07/660268407.db2.gz HJRHVSXHILBSRI-JDOCFBBISA-N 1 0 375.441 1.118 20 0 GDADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000920274847 660268708 /nfs/dbraw/zinc/26/87/08/660268708.db2.gz PHWIAJSJVYXUCG-OMNBBPDLSA-N 1 0 387.933 1.801 20 0 GDADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccc(Cl)nc3)C2)[C@@H]1C(C)C ZINC000920296551 660269286 /nfs/dbraw/zinc/26/92/86/660269286.db2.gz UHCAYZIIHGUWCO-TXCZRRACSA-N 1 0 387.933 1.883 20 0 GDADRO CC1(C)CCC[N@H+](CCNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000444611553 647255196 /nfs/dbraw/zinc/25/51/96/647255196.db2.gz RHTOXZMMXKOTME-UHFFFAOYSA-N 1 0 393.962 1.918 20 0 GDADRO CCOC[C@H](C)CS(=O)(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000920304097 660269788 /nfs/dbraw/zinc/26/97/88/660269788.db2.gz WUCQGPRLUKGKPA-OBVSXPTNSA-N 1 0 376.563 1.448 20 0 GDADRO NS(=O)(=O)CC1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000445809973 647274217 /nfs/dbraw/zinc/27/42/17/647274217.db2.gz HNOBCFCJKWLHMN-UHFFFAOYSA-N 1 0 395.294 1.968 20 0 GDADRO C[C@H](C(=O)OCCC[NH+](C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000920088372 660265499 /nfs/dbraw/zinc/26/54/99/660265499.db2.gz DAXBNZJSLQUDEP-SNVBAGLBSA-N 1 0 383.242 1.929 20 0 GDADRO COc1cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)sc1S(N)(=O)=O ZINC000446897289 647296477 /nfs/dbraw/zinc/29/64/77/647296477.db2.gz XYFYIARVQJWWDG-GFCCVEGCSA-N 1 0 387.527 1.208 20 0 GDADRO CC(C)N(CCCNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1)S(C)(=O)=O ZINC000452059951 647307846 /nfs/dbraw/zinc/30/78/46/647307846.db2.gz CUXDDZSITNNTSF-ULQDDVLXSA-N 1 0 375.579 1.967 20 0 GDADRO O=C(COc1ccc(F)cc1Br)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452344858 647321765 /nfs/dbraw/zinc/32/17/65/647321765.db2.gz DCMIJJROYIKSDX-ZDUSSCGKSA-N 1 0 389.265 1.930 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000453680306 647327155 /nfs/dbraw/zinc/32/71/55/647327155.db2.gz ZCJRYBDRWWICPL-HNNXBMFYSA-N 1 0 390.253 1.264 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000453807716 647338682 /nfs/dbraw/zinc/33/86/82/647338682.db2.gz QDNGEPXPMIYTCO-HNNXBMFYSA-N 1 0 398.301 1.659 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C(=O)Nc1cccc(Br)c1 ZINC000453819092 647339618 /nfs/dbraw/zinc/33/96/18/647339618.db2.gz MBVPZKOSUNWUDK-AWEZNQCLSA-N 1 0 384.274 1.351 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1nn(C)cc1I ZINC000454472040 647357040 /nfs/dbraw/zinc/35/70/40/647357040.db2.gz VJGRHLYNACUHCI-SNVBAGLBSA-N 1 0 393.273 1.554 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000920421484 660271213 /nfs/dbraw/zinc/27/12/13/660271213.db2.gz POLROBFTOKPWIT-UHFFFAOYSA-N 1 0 388.310 1.402 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C[C@H](O)C[NH+]3CCCC3)CC2)c(C)s1 ZINC000921065397 660280881 /nfs/dbraw/zinc/28/08/81/660280881.db2.gz ACVGPYRXJUQGPU-MRXNPFEDSA-N 1 0 387.571 1.128 20 0 GDADRO C[C@@H](CNC(=O)Nc1cc(N2CCOCC2)c(Br)cn1)[NH+](C)C ZINC000455957041 647394053 /nfs/dbraw/zinc/39/40/53/647394053.db2.gz PSWOOGNYXMDJMX-NSHDSACASA-N 1 0 386.294 1.752 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000921174526 660283410 /nfs/dbraw/zinc/28/34/10/660283410.db2.gz PXYOVRAMUFWDLB-IUODEOHRSA-N 1 0 388.921 1.263 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458210003 647437998 /nfs/dbraw/zinc/43/79/98/647437998.db2.gz ZHJZPGQEBMFBBP-UHFFFAOYSA-N 1 0 387.552 1.969 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)NCCc2ccccc2S(C)(=O)=O)CCSC1 ZINC000921311328 660286249 /nfs/dbraw/zinc/28/62/49/660286249.db2.gz QABRUOBFQJZQHX-KRWDZBQOSA-N 1 0 385.555 1.369 20 0 GDADRO Cn1cc(I)c(CNC(=O)NCC2=CC[N@H+](C)CC2)n1 ZINC000459096397 647457099 /nfs/dbraw/zinc/45/70/99/647457099.db2.gz ITQVYOYBUUZOGV-UHFFFAOYSA-N 1 0 389.241 1.086 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685750 647464055 /nfs/dbraw/zinc/46/40/55/647464055.db2.gz BFALVWFNLIHGRT-PWSUYJOCSA-N 1 0 382.295 1.762 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000461042965 647483672 /nfs/dbraw/zinc/48/36/72/647483672.db2.gz NIBCGOTWHDJCLG-CYBMUJFWSA-N 1 0 375.922 1.853 20 0 GDADRO CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000461519609 647495888 /nfs/dbraw/zinc/49/58/88/647495888.db2.gz MUDGUVCYAAZPAU-QGZVFWFLSA-N 1 0 382.551 1.885 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(NS(=O)(=O)CCC)CC1 ZINC000461797243 647501921 /nfs/dbraw/zinc/50/19/21/647501921.db2.gz KWIMDUMJOJDJHY-HNNXBMFYSA-N 1 0 376.567 1.610 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000461903925 647503506 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C[C@@H]([NH2+]CCN1CCNC1=O)c1ccc(Br)cc1OCCCO ZINC000463366540 647558232 /nfs/dbraw/zinc/55/82/32/647558232.db2.gz JNRMDMMIQFKAEG-GFCCVEGCSA-N 1 0 386.290 1.886 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000465359650 647596309 /nfs/dbraw/zinc/59/63/09/647596309.db2.gz UBSKZFBPSQSBBX-OWCLPIDISA-N 1 0 391.603 1.521 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1cccs1 ZINC000465576879 647601560 /nfs/dbraw/zinc/60/15/60/647601560.db2.gz SICOMUYILCJOJR-SQWLQELKSA-N 1 0 385.555 1.865 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000921434095 660299875 /nfs/dbraw/zinc/29/98/75/660299875.db2.gz BODRKRYMDGGULN-FZMZJTMJSA-N 1 0 382.306 1.917 20 0 GDADRO C[NH+](C)CCCN(C(=O)CSC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000467641510 647648440 /nfs/dbraw/zinc/64/84/40/647648440.db2.gz SURZIZPACLNWIO-HOTGVXAUSA-N 1 0 392.587 1.256 20 0 GDADRO C[NH+](C)CCCN(C(=O)CSC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000467641491 647648521 /nfs/dbraw/zinc/64/85/21/647648521.db2.gz SURZIZPACLNWIO-CVEARBPZSA-N 1 0 392.587 1.256 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc[nH]c(=O)c3Br)C2)CC1 ZINC000468770714 647674679 /nfs/dbraw/zinc/67/46/79/647674679.db2.gz ASHODQRXPUCAIJ-GFCCVEGCSA-N 1 0 383.290 1.402 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000470296734 647722071 /nfs/dbraw/zinc/72/20/71/647722071.db2.gz NEMVNDTYXOFKHZ-UHFFFAOYSA-N 1 0 386.290 1.497 20 0 GDADRO C[C@H](C[NH3+])NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000470458728 647727098 /nfs/dbraw/zinc/72/70/98/647727098.db2.gz NKDIJAYLPIABHE-PWSUYJOCSA-N 1 0 386.265 1.904 20 0 GDADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000474377998 647761093 /nfs/dbraw/zinc/76/10/93/647761093.db2.gz ZRDCZPPHFBBEKQ-INIZCTEOSA-N 1 0 382.302 1.996 20 0 GDADRO Cc1c(I)cccc1C(=O)NCCOCC[NH+](C)C ZINC000476235740 647775327 /nfs/dbraw/zinc/77/53/27/647775327.db2.gz UFOUKCNDCNCCKK-UHFFFAOYSA-N 1 0 376.238 1.908 20 0 GDADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000476598857 647783559 /nfs/dbraw/zinc/78/35/59/647783559.db2.gz OLCBPRUHPRUZKS-HNNXBMFYSA-N 1 0 391.921 1.793 20 0 GDADRO CCCCNC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000477504325 647806266 /nfs/dbraw/zinc/80/62/66/647806266.db2.gz CEHUKKGRJICBSW-INIZCTEOSA-N 1 0 385.555 1.728 20 0 GDADRO O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479279431 647826961 /nfs/dbraw/zinc/82/69/61/647826961.db2.gz BAAYXAAFMQVLSJ-HOSYDEDBSA-N 1 0 378.782 1.172 20 0 GDADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCCCCS(C)(=O)=O ZINC000479453323 647832218 /nfs/dbraw/zinc/83/22/18/647832218.db2.gz JOVDJQUJPRGYLR-CQSZACIVSA-N 1 0 376.544 1.816 20 0 GDADRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2Br)C1 ZINC000479798584 647836439 /nfs/dbraw/zinc/83/64/39/647836439.db2.gz ZAJHEVZXDMZDAJ-ZKCHVHJHSA-N 1 0 384.093 1.980 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000921617974 660315228 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CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000497125345 648022028 /nfs/dbraw/zinc/02/20/28/648022028.db2.gz OCKCLVQCSCCDDT-HUUCEWRRSA-N 1 0 385.555 1.892 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000497349890 648025342 /nfs/dbraw/zinc/02/53/42/648025342.db2.gz ICZWYSSVURHFRP-UHFFFAOYSA-N 1 0 393.303 1.586 20 0 GDADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000497358663 648027535 /nfs/dbraw/zinc/02/75/35/648027535.db2.gz UVMRYWIOPVUCQU-LLVKDONJSA-N 1 0 395.319 1.608 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000497371138 648028696 /nfs/dbraw/zinc/02/86/96/648028696.db2.gz WCSYQJJVWVNWRH-GXFFZTMASA-N 1 0 380.919 1.290 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(C)(C)C ZINC000497552901 648032086 /nfs/dbraw/zinc/03/20/86/648032086.db2.gz ICVGXZBLEPIBCE-KFWWJZLASA-N 1 0 376.567 1.512 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC000497926534 648041782 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648283670 /nfs/dbraw/zinc/28/36/70/648283670.db2.gz KDMUEFDCTJANFR-UHFFFAOYSA-N 1 0 383.539 1.337 20 0 GDADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000510299745 648322649 /nfs/dbraw/zinc/32/26/49/648322649.db2.gz RSNDFGXFCYJFGT-BBWFWOEESA-N 1 0 375.579 1.823 20 0 GDADRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000511393533 648374204 /nfs/dbraw/zinc/37/42/04/648374204.db2.gz FLJFZMYMAWZDPN-INIZCTEOSA-N 1 0 377.551 1.165 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)s1 ZINC000511727866 648385871 /nfs/dbraw/zinc/38/58/71/648385871.db2.gz SURSDNGCPYAAJW-UHFFFAOYSA-N 1 0 381.479 1.570 20 0 GDADRO COc1ccc(NC(=O)C[NH2+][C@H]2CSC[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000512213388 648399854 /nfs/dbraw/zinc/39/98/54/648399854.db2.gz RENDZISVZKCJSS-AAEUAGOBSA-N 1 0 387.527 1.225 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000512266071 648400741 /nfs/dbraw/zinc/40/07/41/648400741.db2.gz CYVJBGZCZKNSTN-MNOVXSKESA-N 1 0 383.297 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C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628967997 653128738 /nfs/dbraw/zinc/12/87/38/653128738.db2.gz BVDGLHWCZDNEKU-NOZJJQNGSA-N 1 0 382.313 1.650 20 0 GDADRO Cc1c(Br)c2ccccc2n1CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629174821 653135432 /nfs/dbraw/zinc/13/54/32/653135432.db2.gz FAZDJKVVTMQXAG-CYBMUJFWSA-N 1 0 380.286 1.895 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000629175748 653135911 /nfs/dbraw/zinc/13/59/11/653135911.db2.gz QIKWDSKCUHVGJF-XHDPSFHLSA-N 1 0 386.279 1.529 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cc(F)c(Br)cc3F)C[C@H]21 ZINC000629353668 653160987 /nfs/dbraw/zinc/16/09/87/653160987.db2.gz LUDRMPLGMSUCGE-BWPRHRIFSA-N 1 0 381.242 1.908 20 0 GDADRO O=C(NC[C@@H]1CCCN(Cc2ccncc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000629516423 653167953 /nfs/dbraw/zinc/16/79/53/653167953.db2.gz FIPKYCAXVUGZOP-BBRMVZONSA-N 1 0 381.318 1.924 20 0 GDADRO C[C@@H](NCC1([NH3+])CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000629522078 653168165 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C[NH+](C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1)c1cccs1 ZINC000630395815 653208059 /nfs/dbraw/zinc/20/80/59/653208059.db2.gz YVDNYYUVYRLDMS-AWEZNQCLSA-N 1 0 386.543 1.170 20 0 GDADRO C[NH+]1CCN(CCNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000630623069 653218760 /nfs/dbraw/zinc/21/87/60/653218760.db2.gz XOWPYIYSAPEZRR-GVDBMIGSSA-N 1 0 378.314 1.698 20 0 GDADRO O=C(COc1ccc(Br)cn1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000631510581 653237840 /nfs/dbraw/zinc/23/78/40/653237840.db2.gz MPKMJZNBBJXAOK-ZDUSSCGKSA-N 1 0 384.274 1.404 20 0 GDADRO O=C(COc1ccc(Br)cn1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000631639136 653241385 /nfs/dbraw/zinc/24/13/85/653241385.db2.gz KTKVNDDATVHJME-CYBMUJFWSA-N 1 0 384.274 1.404 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000631713196 653245697 /nfs/dbraw/zinc/24/56/97/653245697.db2.gz YHNNBVINEVHZFK-AWEZNQCLSA-N 1 0 388.555 1.993 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000631802991 653255757 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Cn1c2ccc(S(=O)(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2sc1=O ZINC000631922732 653271492 /nfs/dbraw/zinc/27/14/92/653271492.db2.gz CUKHGDHUIGXDCG-CYBMUJFWSA-N 1 0 381.523 1.849 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000631928100 653272950 /nfs/dbraw/zinc/27/29/50/653272950.db2.gz QGKWXHLMLOOCEM-ZIAGYGMSSA-N 1 0 385.555 1.520 20 0 GDADRO CC(C)(CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1Br ZINC000631927820 653272999 /nfs/dbraw/zinc/27/29/99/653272999.db2.gz JMWJEEGAVDAOMO-LBPRGKRZSA-N 1 0 391.331 1.635 20 0 GDADRO Cn1nnc2cc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc21 ZINC000631954720 653279081 /nfs/dbraw/zinc/27/90/81/653279081.db2.gz UWTWLKHWPLIOFQ-MWLCHTKSSA-N 1 0 377.392 1.116 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCN(S(=O)(=O)C3CCC(C(F)(F)F)CC3)C2)nn1 ZINC000631967616 653280965 /nfs/dbraw/zinc/28/09/65/653280965.db2.gz KJFCNCWSPXEHDY-YXMLORGKSA-N 1 0 381.424 1.435 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631992214 653286166 /nfs/dbraw/zinc/28/61/66/653286166.db2.gz ROIWIPIYDIRMPH-ONGXEEELSA-N 1 0 380.333 1.809 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000632005045 653288429 /nfs/dbraw/zinc/28/84/29/653288429.db2.gz DSJAYPOINOOASJ-ZDUSSCGKSA-N 1 0 384.420 1.316 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000632010514 653289220 /nfs/dbraw/zinc/28/92/20/653289220.db2.gz YRALFNDTYYHMHS-KRWDZBQOSA-N 1 0 389.949 1.273 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000632013819 653290165 /nfs/dbraw/zinc/29/01/65/653290165.db2.gz UPWRDSIMZPHVGX-UHFFFAOYSA-N 1 0 385.511 1.469 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000632071491 653300359 /nfs/dbraw/zinc/30/03/59/653300359.db2.gz AYBIBHBVSUYRAB-AWEZNQCLSA-N 1 0 381.420 1.277 20 0 GDADRO COc1cccc(Cl)c1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632269556 653326920 /nfs/dbraw/zinc/32/69/20/653326920.db2.gz KCTNUIXVFOTVKB-UHFFFAOYSA-N 1 0 375.922 1.406 20 0 GDADRO Cn1c2ccc(S(=O)(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2sc1=O ZINC000632370777 653347699 /nfs/dbraw/zinc/34/76/99/653347699.db2.gz KMADGDVYOXIBSD-KRWDZBQOSA-N 1 0 381.523 1.706 20 0 GDADRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)[C@H](C)C1 ZINC000632450315 653359756 /nfs/dbraw/zinc/35/97/56/653359756.db2.gz YCVRXHJYVJJWFP-GFCCVEGCSA-N 1 0 393.506 1.302 20 0 GDADRO Cn1c2ccc(S(=O)(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2sc1=O ZINC000632539439 653373220 /nfs/dbraw/zinc/37/32/20/653373220.db2.gz HRJSFYORVMNWDJ-UONOGXRCSA-N 1 0 381.523 1.895 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2onc(C3CC3)c2Cl)CCO1 ZINC000632575796 653378417 /nfs/dbraw/zinc/37/84/17/653378417.db2.gz AVSSNSRPENAHLG-LBPRGKRZSA-N 1 0 377.894 1.937 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)c2nccn2c1 ZINC000632890004 653413424 /nfs/dbraw/zinc/41/34/24/653413424.db2.gz BACLEIWRYJXNQE-ZDUSSCGKSA-N 1 0 378.274 1.217 20 0 GDADRO O=C(Nc1cc(Br)cnc1-n1cccn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632936667 653415671 /nfs/dbraw/zinc/41/56/71/653415671.db2.gz XNOYJBJTXSUKFO-TXEJJXNPSA-N 1 0 377.246 1.998 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)C[C@H]1C[NH3+] ZINC000633026493 653421206 /nfs/dbraw/zinc/42/12/06/653421206.db2.gz WSGLQIFABLRRKV-NXEZZACHSA-N 1 0 375.803 1.976 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000633041319 653423362 /nfs/dbraw/zinc/42/33/62/653423362.db2.gz VPBRGVKVWRACSE-SKDRFNHKSA-N 1 0 377.242 1.884 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000633114708 653428982 /nfs/dbraw/zinc/42/89/82/653428982.db2.gz ZGGGVSLLZTUYQX-ZYHUDNBSSA-N 1 0 386.265 1.600 20 0 GDADRO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633766043 653468932 /nfs/dbraw/zinc/46/89/32/653468932.db2.gz LCRVHMPLCKEKAT-ZWNOBZJWSA-N 1 0 381.420 1.362 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)N1CCN(C)CC1 ZINC000633782362 653471384 /nfs/dbraw/zinc/47/13/84/653471384.db2.gz MYFZARSFVZKNLR-IPALMDDQSA-N 1 0 378.314 1.839 20 0 GDADRO C[NH+]1CCN(c2ccnc(NC(=O)c3cc(S(C)(=O)=O)cs3)c2)CC1 ZINC000634195000 653488281 /nfs/dbraw/zinc/48/82/81/653488281.db2.gz ZWKRBLIALLWQSG-UHFFFAOYSA-N 1 0 380.495 1.551 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634754685 653498319 /nfs/dbraw/zinc/49/83/19/653498319.db2.gz HWPBVYATCFXVSJ-TZMCWYRMSA-N 1 0 387.933 1.901 20 0 GDADRO O=C(COc1ccc(Br)cc1)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634994158 653504005 /nfs/dbraw/zinc/50/40/05/653504005.db2.gz SPBFRCBBJANLDU-UHFFFAOYSA-N 1 0 394.313 1.724 20 0 GDADRO C[C@@]1(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C[NH2+]CCO1 ZINC000637942298 653532465 /nfs/dbraw/zinc/53/24/65/653532465.db2.gz KKFDGHGKBMCIII-KRWDZBQOSA-N 1 0 386.279 1.656 20 0 GDADRO COc1cc(Br)c(CNC(=O)[C@]2(C[NH3+])CCCOC2)cc1OC ZINC000637980574 653534087 /nfs/dbraw/zinc/53/40/87/653534087.db2.gz YUKZBEADAXJHEF-INIZCTEOSA-N 1 0 387.274 1.838 20 0 GDADRO C[C@]1(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C[NH2+]CCO1 ZINC000637973830 653534100 /nfs/dbraw/zinc/53/41/00/653534100.db2.gz MYCVTOGRDPJPNV-QGZVFWFLSA-N 1 0 397.313 1.992 20 0 GDADRO C[C@@]1(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C[NH2+]CCO1 ZINC000637973829 653534102 /nfs/dbraw/zinc/53/41/02/653534102.db2.gz MYCVTOGRDPJPNV-KRWDZBQOSA-N 1 0 397.313 1.992 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C[NH2+]CCO1 ZINC000638077052 653535643 /nfs/dbraw/zinc/53/56/43/653535643.db2.gz PHYIQMWCMVZFEF-CXAGYDPISA-N 1 0 382.302 1.770 20 0 GDADRO O=C(CN1CC[NH2+]CC1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000638302885 653537688 /nfs/dbraw/zinc/53/76/88/653537688.db2.gz USBSBNMBCSHVSF-UHFFFAOYSA-N 1 0 382.302 1.724 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638335770 653538285 /nfs/dbraw/zinc/53/82/85/653538285.db2.gz RNTGRHXSNFWGNP-CQDKDKBSSA-N 1 0 380.286 1.888 20 0 GDADRO [NH3+]C1(CNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CCOCC1 ZINC000638537380 653539172 /nfs/dbraw/zinc/53/91/72/653539172.db2.gz PAKZYAIVNKWNBH-CQSZACIVSA-N 1 0 396.285 1.426 20 0 GDADRO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638547621 653539360 /nfs/dbraw/zinc/53/93/60/653539360.db2.gz HKLGDOAORSMDPE-WUHRBBMRSA-N 1 0 381.464 1.920 20 0 GDADRO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638548988 653539546 /nfs/dbraw/zinc/53/95/46/653539546.db2.gz MLMASGMIDSFRLZ-QJPTWQEYSA-N 1 0 381.464 1.920 20 0 GDADRO CC(C)[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)N1CCCS1(=O)=O ZINC000638559127 653539885 /nfs/dbraw/zinc/53/98/85/653539885.db2.gz SKDODOJAWGEJSZ-JHJVBQTASA-N 1 0 385.452 1.032 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)CC[C@@H]1C(F)(F)F ZINC000638555342 653539915 /nfs/dbraw/zinc/53/99/15/653539915.db2.gz ZCCNTGZPRUVMSF-STQMWFEESA-N 1 0 385.452 1.178 20 0 GDADRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638561958 653540070 /nfs/dbraw/zinc/54/00/70/653540070.db2.gz WAMVETFNUDIQEX-SECBINFHSA-N 1 0 387.303 1.989 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000638570010 653540286 /nfs/dbraw/zinc/54/02/86/653540286.db2.gz SBKHQHRPUYEZHY-NWDGAFQWSA-N 1 0 389.568 1.356 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000638573450 653540548 /nfs/dbraw/zinc/54/05/48/653540548.db2.gz DWALOSWKACISPE-NWDGAFQWSA-N 1 0 379.404 1.240 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638581436 653540741 /nfs/dbraw/zinc/54/07/41/653540741.db2.gz JQMBYPRWPOJJCQ-AWEZNQCLSA-N 1 0 384.274 1.154 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000638772273 653543302 /nfs/dbraw/zinc/54/33/02/653543302.db2.gz MTRQIZJGLJEIIG-JOYOIKCWSA-N 1 0 380.297 1.528 20 0 GDADRO COc1nsc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c1Br ZINC000638799062 653543701 /nfs/dbraw/zinc/54/37/01/653543701.db2.gz GSDRJWWJOZOVKG-MRVPVSSYSA-N 1 0 384.321 1.285 20 0 GDADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000638827329 653544119 /nfs/dbraw/zinc/54/41/19/653544119.db2.gz GZGBHQOLSWWUIM-JLJPHGGASA-N 1 0 391.295 1.959 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)c2nc3ncc(Br)cn3n2)c2ccccc21 ZINC000639070944 653545465 /nfs/dbraw/zinc/54/54/65/653545465.db2.gz NURIVUJENGBYHX-JTQLQIEISA-N 1 0 387.241 1.980 20 0 GDADRO CO[C@@H](C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl)[C@H]1CCOC1 ZINC000639132494 653547085 /nfs/dbraw/zinc/54/70/85/653547085.db2.gz OYUHYNQISYRNOO-ZFWWWQNUSA-N 1 0 376.906 1.650 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(S(N)(=O)=O)c(Cl)c1)C[C@H]1CCCO1 ZINC000639171602 653547935 /nfs/dbraw/zinc/54/79/35/653547935.db2.gz XKHXOAVOFVCPDQ-CQSZACIVSA-N 1 0 375.922 1.530 20 0 GDADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639776338 653553697 /nfs/dbraw/zinc/55/36/97/653553697.db2.gz MACSCHKBRGJZDV-CFVMTHIKSA-N 1 0 389.290 1.710 20 0 GDADRO [NH3+][C@H](c1cn(Cc2cn3cc(Br)ccc3n2)nn1)[C@H]1CCCO1 ZINC000640958962 653561393 /nfs/dbraw/zinc/56/13/93/653561393.db2.gz RUCXHXTXJINGPG-UKRRQHHQSA-N 1 0 377.246 1.915 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1OC ZINC000641443029 653568206 /nfs/dbraw/zinc/56/82/06/653568206.db2.gz YSCHIBYQIRBBNK-CHWSQXEVSA-N 1 0 389.905 1.469 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ncnc(C(F)(F)F)c1Br ZINC000641646132 653573934 /nfs/dbraw/zinc/57/39/34/653573934.db2.gz PHWRNSVLFHPSHO-MRVPVSSYSA-N 1 0 396.211 1.814 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000641648290 653574092 /nfs/dbraw/zinc/57/40/92/653574092.db2.gz HDUPMIAWNXJOBI-UHFFFAOYSA-N 1 0 380.436 1.504 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000641650249 653574238 /nfs/dbraw/zinc/57/42/38/653574238.db2.gz KTNGWMGBFJTADZ-UHFFFAOYSA-N 1 0 377.913 1.926 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000641997748 653576566 /nfs/dbraw/zinc/57/65/66/653576566.db2.gz RTYSZTFKKCGSPI-OAHLLOKOSA-N 1 0 376.567 1.658 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642640839 653579032 /nfs/dbraw/zinc/57/90/32/653579032.db2.gz BBWLSKORJGIKCK-SWLSCSKDSA-N 1 0 380.286 1.584 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(S(N)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000642685338 653579107 /nfs/dbraw/zinc/57/91/07/653579107.db2.gz AVDMSEYDRGBSHD-HNNXBMFYSA-N 1 0 388.921 1.405 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000642908978 653579718 /nfs/dbraw/zinc/57/97/18/653579718.db2.gz CUMQNAWRFDPFPM-STQMWFEESA-N 1 0 397.317 1.118 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)N3CCc4c3cccc4Br)[C@@H]2C1 ZINC000643275952 653581451 /nfs/dbraw/zinc/58/14/51/653581451.db2.gz WBOKFVGLJPAWCM-XHDPSFHLSA-N 1 0 378.270 1.501 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643487692 653583116 /nfs/dbraw/zinc/58/31/16/653583116.db2.gz JSOMRNFQDAWFGE-DOMZBBRYSA-N 1 0 398.301 1.372 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC[C@@H]1[NH3+] ZINC000643542236 653583419 /nfs/dbraw/zinc/58/34/19/653583419.db2.gz DGJIAYVLLFHKGU-WBMJQRKESA-N 1 0 394.313 1.920 20 0 GDADRO NS(=O)(=O)c1cc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Cl ZINC000643888138 653592109 /nfs/dbraw/zinc/59/21/09/653592109.db2.gz ZHVTYRBMBDTXPN-AWEZNQCLSA-N 1 0 387.933 1.578 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000643986488 653593641 /nfs/dbraw/zinc/59/36/41/653593641.db2.gz PYBUTKSHKPWDOG-OAHLLOKOSA-N 1 0 382.302 1.912 20 0 GDADRO C[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000644014720 653594839 /nfs/dbraw/zinc/59/48/39/653594839.db2.gz HFSZHQAIMLPAPZ-BXUZGUMPSA-N 1 0 375.441 1.359 20 0 GDADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000644131971 653595892 /nfs/dbraw/zinc/59/58/92/653595892.db2.gz FUNQVLSEWGBKEN-CQSZACIVSA-N 1 0 387.527 1.031 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644302508 653597493 /nfs/dbraw/zinc/59/74/93/653597493.db2.gz RTMPQPMZUNNHQX-CMPLNLGQSA-N 1 0 375.288 1.782 20 0 GDADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 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GDADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)CCn3cc(Br)cn3)CC2)C1 ZINC000647089685 653620386 /nfs/dbraw/zinc/62/03/86/653620386.db2.gz HGJGMSWGDRAXTI-GJZGRUSLSA-N 1 0 385.306 1.781 20 0 GDADRO O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)cc1 ZINC000647189903 653622972 /nfs/dbraw/zinc/62/29/72/653622972.db2.gz XYNRZAVDUQILTA-UHFFFAOYSA-N 1 0 379.404 1.257 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1ccnn1-c1ccccn1)c1cccs1 ZINC000647196011 653622979 /nfs/dbraw/zinc/62/29/79/653622979.db2.gz LZWDETWPAYJOSH-AWEZNQCLSA-N 1 0 378.479 1.253 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1F ZINC000647201476 653623133 /nfs/dbraw/zinc/62/31/33/653623133.db2.gz PCBCAJKGBSZMSB-GFCCVEGCSA-N 1 0 393.506 1.398 20 0 GDADRO O=C(c1cccc(Cl)c1)N1CCC[C@@H](S(=O)(=O)NCC[NH2+]C2CC2)C1 ZINC000647210485 653623339 /nfs/dbraw/zinc/62/33/39/653623339.db2.gz JCWJREWNUICZLD-MRXNPFEDSA-N 1 0 385.917 1.616 20 0 GDADRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000647228381 653623533 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394.946 1.633 20 0 GDADRO CO[C@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000647280007 653625074 /nfs/dbraw/zinc/62/50/74/653625074.db2.gz NCKPVSXYNJHTLB-KBPBESRZSA-N 1 0 377.304 1.717 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647306795 653625729 /nfs/dbraw/zinc/62/57/29/653625729.db2.gz JIWCEQKRSVKWAU-CABCVRRESA-N 1 0 385.555 1.785 20 0 GDADRO CSc1cccc(S(=O)(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000647312589 653625829 /nfs/dbraw/zinc/62/58/29/653625829.db2.gz VFMSJUZSTYZIKW-WBVHZDCISA-N 1 0 383.539 1.334 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc2c1OCC2 ZINC000647319546 653625988 /nfs/dbraw/zinc/62/59/88/653625988.db2.gz CDLSJZPMURUOBQ-LLVKDONJSA-N 1 0 397.241 1.660 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000647316415 653626043 /nfs/dbraw/zinc/62/60/43/653626043.db2.gz HKRHIVWTVQXLJM-JOYOIKCWSA-N 1 0 390.303 1.344 20 0 GDADRO COc1ncc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1Cl ZINC000647324756 653626354 /nfs/dbraw/zinc/62/63/54/653626354.db2.gz GSVIWNXXYTYFHY-SWLSCSKDSA-N 1 0 385.848 1.998 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000647335671 653626588 /nfs/dbraw/zinc/62/65/88/653626588.db2.gz YSLRXRVMWBFHFL-BDAKNGLRSA-N 1 0 399.332 1.257 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000647494197 653627565 /nfs/dbraw/zinc/62/75/65/653627565.db2.gz DETXLQZECNXHTC-UWVGGRQHSA-N 1 0 395.261 1.210 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)C1CCOCC1)c1cccc(Br)c1 ZINC000647527481 653627962 /nfs/dbraw/zinc/62/79/62/653627962.db2.gz AGGQNMNZPFVXMN-HNNXBMFYSA-N 1 0 392.315 1.600 20 0 GDADRO CCCN(C(=O)CS(=O)(=O)c1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000647768090 653633762 /nfs/dbraw/zinc/63/37/62/653633762.db2.gz ZZRFAEUFPAKZBF-CYBMUJFWSA-N 1 0 389.315 1.823 20 0 GDADRO C[C@@H]1CCCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)[C@H]1C[NH3+] ZINC000647819628 653635221 /nfs/dbraw/zinc/63/52/21/653635221.db2.gz NAAXGGGWMAENTR-RISCZKNCSA-N 1 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ZINC000655427619 653969265 /nfs/dbraw/zinc/96/92/65/653969265.db2.gz UGMDXFTXAMDLMS-YOEHRIQHSA-N 1 0 383.539 1.407 20 0 GDADRO CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655512188 653973190 /nfs/dbraw/zinc/97/31/90/653973190.db2.gz SQYFWMWELKLVSI-GFCCVEGCSA-N 1 0 381.420 1.524 20 0 GDADRO Cc1cc(NC(=O)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000655915776 653993820 /nfs/dbraw/zinc/99/38/20/653993820.db2.gz XQZLCJOZWIEYSH-SNVBAGLBSA-N 1 0 397.195 1.885 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Cl ZINC000655952207 653995920 /nfs/dbraw/zinc/99/59/20/653995920.db2.gz KGLCNPDGUOANQC-CYBMUJFWSA-N 1 0 385.839 1.763 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655958054 653996397 /nfs/dbraw/zinc/99/63/97/653996397.db2.gz IIXKNNWYIFAVCA-SNVBAGLBSA-N 1 0 398.179 1.792 20 0 GDADRO NS(=O)(=O)c1cc(Br)cnc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656226372 654011594 /nfs/dbraw/zinc/01/15/94/654011594.db2.gz MHMKSGVNFZHDKG-VXGBXAGGSA-N 1 0 389.319 1.920 20 0 GDADRO Cc1cc(-n2cc(CNC(=O)C3CC[NH2+]CC3)nn2)ccc1Br ZINC000656437744 654030119 /nfs/dbraw/zinc/03/01/19/654030119.db2.gz GRRYYVRSSBBXII-UHFFFAOYSA-N 1 0 378.274 1.954 20 0 GDADRO Cc1cc(Br)ccc1-n1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000656455822 654030597 /nfs/dbraw/zinc/03/05/97/654030597.db2.gz NIBHKCHVRVIWDW-UHFFFAOYSA-N 1 0 378.274 1.954 20 0 GDADRO CCOc1cc(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc(Cl)c1O ZINC000656498114 654031609 /nfs/dbraw/zinc/03/16/09/654031609.db2.gz MYZRKHKFPKPMJG-UHFFFAOYSA-N 1 0 391.921 1.111 20 0 GDADRO CCOc1cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc(Br)c1O ZINC000656599229 654039643 /nfs/dbraw/zinc/03/96/43/654039643.db2.gz KKUXMGHVSCANNQ-UHFFFAOYSA-N 1 0 393.303 1.723 20 0 GDADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ncccc1Br ZINC000656895837 654066813 /nfs/dbraw/zinc/06/68/13/654066813.db2.gz AMPUKYISSZSHMV-UHFFFAOYSA-N 1 0 394.335 1.823 20 0 GDADRO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000656894879 654066963 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1.120 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)Cn2cncn2)cc1Br ZINC000658030428 654179317 /nfs/dbraw/zinc/17/93/17/654179317.db2.gz YPFHVTBOGVKSHH-TZMCWYRMSA-N 1 0 383.290 1.879 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)Cn1cncn1 ZINC000658032459 654179390 /nfs/dbraw/zinc/17/93/90/654179390.db2.gz SKASIGQTSCQCHX-CHWSQXEVSA-N 1 0 383.290 1.879 20 0 GDADRO COc1ncc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(C)c1Br ZINC000658052447 654180146 /nfs/dbraw/zinc/18/01/46/654180146.db2.gz KWKIZYWTHVVTCA-PHIMTYICSA-N 1 0 399.289 1.556 20 0 GDADRO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000658075715 654180506 /nfs/dbraw/zinc/18/05/06/654180506.db2.gz AGIURMKXWXOBBC-CQSZACIVSA-N 1 0 388.555 1.802 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000658371647 654185638 /nfs/dbraw/zinc/18/56/38/654185638.db2.gz GFNHQZYHVHXIIA-PRHODGIISA-N 1 0 397.266 1.334 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)cc2C1 ZINC000658379027 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Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@]2(C)CC2(C)C)cc[nH+]1 ZINC000662849143 654308331 /nfs/dbraw/zinc/30/83/31/654308331.db2.gz CTAYRQCYPRTFDL-HNNXBMFYSA-N 1 0 375.516 1.052 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cs1 ZINC000662867393 654313840 /nfs/dbraw/zinc/31/38/40/654313840.db2.gz ZQNKRQAIFMQPRT-ZIAGYGMSSA-N 1 0 383.470 1.410 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000662873352 654314787 /nfs/dbraw/zinc/31/47/87/654314787.db2.gz MIEFDPGGBHLCFV-INIZCTEOSA-N 1 0 396.329 1.988 20 0 GDADRO NS(=O)(=O)c1ccc(CC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)s1 ZINC000662884095 654316733 /nfs/dbraw/zinc/31/67/33/654316733.db2.gz LTSIGCHUIAGZQG-AWEZNQCLSA-N 1 0 381.479 1.238 20 0 GDADRO C[C@@]1(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000663005226 654318241 /nfs/dbraw/zinc/31/82/41/654318241.db2.gz IMQPYRJUVLKSIF-QGZVFWFLSA-N 1 0 385.917 1.609 20 0 GDADRO Cc1cnn(-c2ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc2F)c1 ZINC000663309451 654332319 /nfs/dbraw/zinc/33/23/19/654332319.db2.gz CQUUDOGNCTUQDS-CYBMUJFWSA-N 1 0 380.367 1.830 20 0 GDADRO CCC(CC)[C@@H](CNc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)[NH+](C)C ZINC000663380666 654336198 /nfs/dbraw/zinc/33/61/98/654336198.db2.gz VIKAVPNENMWZOK-OAHLLOKOSA-N 1 0 391.559 1.516 20 0 GDADRO CC(C)[NH+](CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)C(C)C ZINC000663419553 654338036 /nfs/dbraw/zinc/33/80/36/654338036.db2.gz GHSCAYMYCHEFPC-STQMWFEESA-N 1 0 387.468 1.722 20 0 GDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1nc2ccc(Br)cn2n1 ZINC000666320650 654424137 /nfs/dbraw/zinc/42/41/37/654424137.db2.gz YGVMZNZICRUNRV-CYBMUJFWSA-N 1 0 394.273 1.475 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000666428188 654428405 /nfs/dbraw/zinc/42/84/05/654428405.db2.gz KEECHOAHARBKGU-LBPRGKRZSA-N 1 0 393.289 1.887 20 0 GDADRO O=C(NCC[NH2+]C1CC1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000667116356 654442406 /nfs/dbraw/zinc/44/24/06/654442406.db2.gz XLLHZQRJTADCTM-UHFFFAOYSA-N 1 0 380.392 1.401 20 0 GDADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000667404765 654449379 /nfs/dbraw/zinc/44/93/79/654449379.db2.gz WHHVSRVRNIESSI-SDBXPKJASA-N 1 0 376.240 1.515 20 0 GDADRO CCC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)S(N)(=O)=O ZINC000667431474 654450956 /nfs/dbraw/zinc/45/09/56/654450956.db2.gz WAVMRICWIJAPHW-OAHLLOKOSA-N 1 0 377.457 1.312 20 0 GDADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667504797 654453194 /nfs/dbraw/zinc/45/31/94/654453194.db2.gz OHDVTVCWQJPCTO-SECBINFHSA-N 1 0 376.201 1.924 20 0 GDADRO CCS(=O)(=O)N[C@H](C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000667600051 654458234 /nfs/dbraw/zinc/45/82/34/654458234.db2.gz JIELNPIUXOBKAX-CQSZACIVSA-N 1 0 385.555 1.810 20 0 GDADRO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000667715032 654460413 /nfs/dbraw/zinc/46/04/13/654460413.db2.gz DCCJQMRPFYLZFU-UHFFFAOYSA-N 1 0 394.269 1.077 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[NH+](C2CCC2)CC1 ZINC000769415326 654462212 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CC(C)[C@H](C[NH+](C)C)NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000733166713 654501206 /nfs/dbraw/zinc/50/12/06/654501206.db2.gz KHNBESRTYYCJKV-HNNXBMFYSA-N 1 0 377.457 1.336 20 0 GDADRO O=C(NCCc1ccc(Cl)s1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000669392390 654503630 /nfs/dbraw/zinc/50/36/30/654503630.db2.gz LHOZELWLEQZABA-CYBMUJFWSA-N 1 0 384.933 1.797 20 0 GDADRO C[C@](CO)([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000669930022 654515053 /nfs/dbraw/zinc/51/50/53/654515053.db2.gz DEJFEEFBRZHXLR-SWLSCSKDSA-N 1 0 380.432 1.784 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000733884219 654524425 /nfs/dbraw/zinc/52/44/25/654524425.db2.gz PUUCERGVUBVSHN-JTQLQIEISA-N 1 0 390.303 1.120 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000670851863 654527195 /nfs/dbraw/zinc/52/71/95/654527195.db2.gz FQBFWGAEOWGTJS-GFCCVEGCSA-N 1 0 382.302 1.912 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000733996717 654527316 /nfs/dbraw/zinc/52/73/16/654527316.db2.gz IUHQFOGMDHGZSH-GJZGRUSLSA-N 1 0 375.535 1.634 20 0 GDADRO O=C(Cc1cc[nH]c(=O)c1Br)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000772277176 654558432 /nfs/dbraw/zinc/55/84/32/654558432.db2.gz NACNLPUZFGNNOD-CQSZACIVSA-N 1 0 398.301 1.852 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCS1 ZINC000672635217 654561761 /nfs/dbraw/zinc/56/17/61/654561761.db2.gz IDWWRUBDBACBIR-HNNXBMFYSA-N 1 0 385.599 1.818 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)Oc1ccc(Br)cc1 ZINC000673249071 654571948 /nfs/dbraw/zinc/57/19/48/654571948.db2.gz LNKYCAPUSOXWFN-JSGCOSHPSA-N 1 0 398.301 1.543 20 0 GDADRO CS[C@@H]1CN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1[NH+](C)C ZINC000772846263 654572947 /nfs/dbraw/zinc/57/29/47/654572947.db2.gz OLSLFOHCXNJKNL-UIOUNXJESA-N 1 0 383.539 1.575 20 0 GDADRO Cc1c(C(=O)N[C@@H](CO)C[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC000673522134 654576393 /nfs/dbraw/zinc/57/63/93/654576393.db2.gz UFQSZCKOBMTUNV-CYBMUJFWSA-N 1 0 381.274 1.596 20 0 GDADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000772962550 654577216 /nfs/dbraw/zinc/57/72/16/654577216.db2.gz LWUSDKHQJXWARV-LLVKDONJSA-N 1 0 387.468 1.831 20 0 GDADRO CC[C@@H](C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[NH+](CC)CC ZINC000736019286 654579451 /nfs/dbraw/zinc/57/94/51/654579451.db2.gz SGWGCIAZVNJOHU-ZDUSSCGKSA-N 1 0 387.468 1.785 20 0 GDADRO COC[C@@H]([NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C1CC1 ZINC000773097094 654580980 /nfs/dbraw/zinc/58/09/80/654580980.db2.gz YSBOLAPGQSRPDS-MLGOLLRUSA-N 1 0 390.527 1.488 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)CNC(=O)c2cc3c(s2)CCCC3)CCSC1 ZINC000673957341 654585329 /nfs/dbraw/zinc/58/53/29/654585329.db2.gz AQXILOPBAMAYNN-GOSISDBHSA-N 1 0 381.567 1.910 20 0 GDADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000737465865 654621329 /nfs/dbraw/zinc/62/13/29/654621329.db2.gz XURVAEIDADXVIE-MRXNPFEDSA-N 1 0 384.571 1.906 20 0 GDADRO CC[NH+](CC)Cc1ccc(C(=O)NCCNS(=O)(=O)c2cccs2)o1 ZINC000676587483 654646284 /nfs/dbraw/zinc/64/62/84/654646284.db2.gz GTXSPBXAJXHXMN-UHFFFAOYSA-N 1 0 385.511 1.891 20 0 GDADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000775184605 654660054 /nfs/dbraw/zinc/66/00/54/654660054.db2.gz RIKVMZPYYDJHSB-CYBMUJFWSA-N 1 0 388.295 1.553 20 0 GDADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)C[C@@H]1C ZINC000677175530 654662347 /nfs/dbraw/zinc/66/23/47/654662347.db2.gz SKXJWDXIFKPENL-DZGCQCFKSA-N 1 0 385.555 1.762 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000677310854 654665871 /nfs/dbraw/zinc/66/58/71/654665871.db2.gz UJTSOPLMJWOOOO-UHFFFAOYSA-N 1 0 377.913 1.926 20 0 GDADRO CS(=O)(=O)c1csc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000678084943 654683357 /nfs/dbraw/zinc/68/33/57/654683357.db2.gz BWLIWVBTKNSVCP-CQSZACIVSA-N 1 0 386.539 1.869 20 0 GDADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cccc(NS(C)(=O)=O)c1 ZINC000678146309 654685254 /nfs/dbraw/zinc/68/52/54/654685254.db2.gz YDFOJNXLIXOAJD-INIZCTEOSA-N 1 0 389.543 1.352 20 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CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000682275336 654750697 /nfs/dbraw/zinc/75/06/97/654750697.db2.gz ZWLFUZVKUSOOJM-LBPRGKRZSA-N 1 0 399.289 1.077 20 0 GDADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000779137552 654755513 /nfs/dbraw/zinc/75/55/13/654755513.db2.gz BODCISDLVYQPPC-RBSFLKMASA-N 1 0 375.535 1.646 20 0 GDADRO Brc1ccc(C[NH2+]CCN2CCOCC2)c(N2CCOCC2)c1 ZINC000682731192 654761432 /nfs/dbraw/zinc/76/14/32/654761432.db2.gz FVEBWEGFBRQEML-UHFFFAOYSA-N 1 0 384.318 1.708 20 0 GDADRO CC[C@]1([NH2+]CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC000683040604 654766792 /nfs/dbraw/zinc/76/67/92/654766792.db2.gz COEYUOLWQJMODC-YOEHRIQHSA-N 1 0 386.539 1.423 20 0 GDADRO C[NH+](C)CCOc1ccccc1CNC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000746855082 654768436 /nfs/dbraw/zinc/76/84/36/654768436.db2.gz HZDGAMBDZAYLIR-HNNXBMFYSA-N 1 0 386.539 1.164 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)C1 ZINC000683204214 654770833 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C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CSCCS2)C1 ZINC000787908260 654975442 /nfs/dbraw/zinc/97/54/42/654975442.db2.gz DCXHWEJAJMSEMX-BZUAXINKSA-N 1 0 387.615 1.826 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000754639299 654976185 /nfs/dbraw/zinc/97/61/85/654976185.db2.gz HGRBYKJQTHDJAJ-HUUCEWRRSA-N 1 0 375.535 1.647 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)/C=C\c1ccccc1Br ZINC000788072649 654981760 /nfs/dbraw/zinc/98/17/60/654981760.db2.gz UBRXMSFGTBJXIM-GHXNOFRVSA-N 1 0 377.304 1.917 20 0 GDADRO Cc1ccc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(Br)n1 ZINC000831571069 654987828 /nfs/dbraw/zinc/98/78/28/654987828.db2.gz OVCXASOKRFWJHY-LLVKDONJSA-N 1 0 384.278 1.736 20 0 GDADRO COc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cnc1Br ZINC000788515294 654995892 /nfs/dbraw/zinc/99/58/92/654995892.db2.gz FDNWKASAHXMUJU-ZDUSSCGKSA-N 1 0 386.290 1.819 20 0 GDADRO CCO[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C[NH+](C)C ZINC000831751328 654996030 /nfs/dbraw/zinc/99/60/30/654996030.db2.gz ISZKXWWPJJNXSC-GFCCVEGCSA-N 1 0 396.285 1.987 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000788602092 654999179 /nfs/dbraw/zinc/99/91/79/654999179.db2.gz NWOGWIXAOCTCBT-INIZCTEOSA-N 1 0 383.543 1.504 20 0 GDADRO Cc1cc([C@H]([NH3+])CC(=O)Nc2cccc(CS(N)(=O)=O)c2)cc(Cl)n1 ZINC000831880401 655000341 /nfs/dbraw/zinc/00/03/41/655000341.db2.gz DFNZOWFBQAMXGP-CQSZACIVSA-N 1 0 382.873 1.861 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000788913345 655007905 /nfs/dbraw/zinc/00/79/05/655007905.db2.gz NQBTUVFRBDAZAS-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCNC(=O)C(C)C ZINC000756042493 655008699 /nfs/dbraw/zinc/00/86/99/655008699.db2.gz WSKNHBFBPTVQPY-CYBMUJFWSA-N 1 0 390.937 1.456 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000805020575 655012794 /nfs/dbraw/zinc/01/27/94/655012794.db2.gz OVWUSIXWRKFJSD-GFCCVEGCSA-N 1 0 393.351 1.843 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)C1 ZINC000756176730 655013329 /nfs/dbraw/zinc/01/33/29/655013329.db2.gz HFACYRARQLJRJJ-LLVKDONJSA-N 1 0 375.878 1.626 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000789570050 655025800 /nfs/dbraw/zinc/02/58/00/655025800.db2.gz JMMZTPQBFKLOFK-UWVGGRQHSA-N 1 0 385.262 1.390 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)nc1OC ZINC000789593721 655028934 /nfs/dbraw/zinc/02/89/34/655028934.db2.gz TZMJQVBPHJFZCB-NSHDSACASA-N 1 0 399.289 1.782 20 0 GDADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000756933917 655030109 /nfs/dbraw/zinc/03/01/09/655030109.db2.gz ZEGSAYKRQZHXHA-GFCCVEGCSA-N 1 0 379.262 1.591 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)ccc1Br ZINC000832452431 655031835 /nfs/dbraw/zinc/03/18/35/655031835.db2.gz LSPPYOSYAQELFU-JTQLQIEISA-N 1 0 375.288 1.664 20 0 GDADRO CC[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757109141 655034533 /nfs/dbraw/zinc/03/45/33/655034533.db2.gz HPTGSZSHUKLWGH-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cc(Br)ncc2Cl)C1 ZINC000832526391 655034588 /nfs/dbraw/zinc/03/45/88/655034588.db2.gz CRUBKZOBNQDIIF-VIFPVBQESA-N 1 0 389.681 1.425 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000757706129 655042666 /nfs/dbraw/zinc/04/26/66/655042666.db2.gz OADSJLOQAQMGPO-PEYYIBSZSA-N 1 0 386.949 1.777 20 0 GDADRO Cn1c(=O)cc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)n(C)c1=O ZINC000832672775 655044190 /nfs/dbraw/zinc/04/41/90/655044190.db2.gz LXMVHRKFJHMNJV-CQSZACIVSA-N 1 0 382.258 1.012 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2scnc2Br)CC1 ZINC000757932432 655046571 /nfs/dbraw/zinc/04/65/71/655046571.db2.gz MSSDPFAJZXWGGT-JTQLQIEISA-N 1 0 387.303 1.460 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000757947306 655047169 /nfs/dbraw/zinc/04/71/69/655047169.db2.gz WSFNXNIFFKLLFS-UHFFFAOYSA-N 1 0 384.571 1.883 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC[C@H]1[NH3+] ZINC000832737293 655050231 /nfs/dbraw/zinc/05/02/31/655050231.db2.gz RGMWKRRUARKGAZ-TVQRCGJNSA-N 1 0 375.288 1.662 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccnc2I)C1 ZINC000758108782 655051733 /nfs/dbraw/zinc/05/17/33/655051733.db2.gz KAOTUNQHMDRTPG-SNVBAGLBSA-N 1 0 375.210 1.137 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cccnc2I)C[C@@H]1[NH+](C)C ZINC000758407610 655058920 /nfs/dbraw/zinc/05/89/20/655058920.db2.gz JBSYZEFAIFNRBP-WDEREUQCSA-N 1 0 391.278 1.804 20 0 GDADRO CS[C@H]1CN(C(=O)CCNC(=O)OCC(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000758791243 655071586 /nfs/dbraw/zinc/07/15/86/655071586.db2.gz LLWQTQTUVKLROL-RYUDHWBXSA-N 1 0 383.436 1.703 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NC[C@H](C)[NH3+])c1 ZINC000834686001 655075888 /nfs/dbraw/zinc/07/58/88/655075888.db2.gz AFDVDCWNYYFRED-JTQLQIEISA-N 1 0 392.319 1.557 20 0 GDADRO C[NH+](C)CCCOC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC000791793899 655078039 /nfs/dbraw/zinc/07/80/39/655078039.db2.gz MWEDTIZMLOBXRE-UHFFFAOYSA-N 1 0 390.527 1.250 20 0 GDADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cccn2c(I)cnc12 ZINC000834791280 655078100 /nfs/dbraw/zinc/07/81/00/655078100.db2.gz FQVYAOCDNKFDJN-LLVKDONJSA-N 1 0 396.232 1.811 20 0 GDADRO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000834817442 655079779 /nfs/dbraw/zinc/07/97/79/655079779.db2.gz QWZGVHXXJMHRNU-WQRBWPNZSA-N 1 0 385.555 1.550 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000834841899 655081050 /nfs/dbraw/zinc/08/10/50/655081050.db2.gz WAHIVUTWFIZBNJ-GFCCVEGCSA-N 1 0 381.832 1.317 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835146606 655087918 /nfs/dbraw/zinc/08/79/18/655087918.db2.gz IVFJBSJHASVMAL-UHFFFAOYSA-N 1 0 387.278 1.176 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12)C[NH+]1CCCC1 ZINC000807666266 655088152 /nfs/dbraw/zinc/08/81/52/655088152.db2.gz RAIMGZGVZNUQST-RBSFLKMASA-N 1 0 385.599 1.720 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)n2)C1 ZINC000835149796 655088457 /nfs/dbraw/zinc/08/84/57/655088457.db2.gz IGHUOJBMJVDBQW-LBPRGKRZSA-N 1 0 383.290 1.891 20 0 GDADRO O=C(/C=C\c1ccc(I)o1)N[C@H](CO)C[NH+]1CCCC1 ZINC000808220457 655101136 /nfs/dbraw/zinc/10/11/36/655101136.db2.gz GMNVJYRWVCXSID-QZPNVGJNSA-N 1 0 390.221 1.470 20 0 GDADRO CN(CCn1cc(Br)cn1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000808242651 655101831 /nfs/dbraw/zinc/10/18/31/655101831.db2.gz HCPFJICYSQXQPV-INIZCTEOSA-N 1 0 398.305 1.452 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000792955160 655102701 /nfs/dbraw/zinc/10/27/01/655102701.db2.gz SJJFRIBLGVXMAB-UHFFFAOYSA-N 1 0 387.278 1.176 20 0 GDADRO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)nc1I ZINC000760222103 655105721 /nfs/dbraw/zinc/10/57/21/655105721.db2.gz DMDRCHHDGRRWDP-JTQLQIEISA-N 1 0 389.237 1.766 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cn1 ZINC000793091919 655110473 /nfs/dbraw/zinc/11/04/73/655110473.db2.gz HPWFLAMLBNEJPQ-DOMZBBRYSA-N 1 0 388.299 1.426 20 0 GDADRO CN(C)c1ccc(NC(=S)NNC(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000760483330 655114908 /nfs/dbraw/zinc/11/49/08/655114908.db2.gz NDIDEAJULAUUCG-UHFFFAOYSA-N 1 0 380.587 1.760 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000809520697 655129627 /nfs/dbraw/zinc/12/96/27/655129627.db2.gz DXVQAXMDAIFCRG-YIDVYQOGSA-N 1 0 383.583 1.567 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000809639899 655134843 /nfs/dbraw/zinc/13/48/43/655134843.db2.gz PCWGACYBKFVPDM-UHFFFAOYSA-N 1 0 375.516 1.340 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1cnc(Cl)s1 ZINC000809849434 655142695 /nfs/dbraw/zinc/14/26/95/655142695.db2.gz WUGYVLRWWKGFGU-UHFFFAOYSA-N 1 0 377.923 1.650 20 0 GDADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)C1 ZINC000810066932 655147750 /nfs/dbraw/zinc/14/77/50/655147750.db2.gz QVDJWHVCTLJHRA-QWHCGFSZSA-N 1 0 385.452 1.049 20 0 GDADRO C[C@H](CNC(=O)c1c(Br)nnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000810081703 655148367 /nfs/dbraw/zinc/14/83/67/655148367.db2.gz HUVHKWQXSINRTF-LLVKDONJSA-N 1 0 378.274 1.754 20 0 GDADRO O=C(CNC(=O)Nc1ccnc(Br)c1)NCC[NH+]1CCCCCC1 ZINC000836694909 655151536 /nfs/dbraw/zinc/15/15/36/655151536.db2.gz RKINXCPTGJZSID-UHFFFAOYSA-N 1 0 398.305 1.958 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccnc(Br)c2)CC1 ZINC000836698244 655151699 /nfs/dbraw/zinc/15/16/99/655151699.db2.gz OTTLQXSCZNDYSX-CYBMUJFWSA-N 1 0 396.289 1.614 20 0 GDADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@@](C)(C(N)=O)C3)c2ccc1Br ZINC000794708518 655151766 /nfs/dbraw/zinc/15/17/66/655151766.db2.gz BEZZXFCMZFISRT-MRXNPFEDSA-N 1 0 395.257 1.740 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=S)NCC2CC[NH+](C)CC2)s1 ZINC000794988659 655157473 /nfs/dbraw/zinc/15/74/73/655157473.db2.gz SLEQHXGVITXKDF-UHFFFAOYSA-N 1 0 375.585 1.848 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000795128755 655163009 /nfs/dbraw/zinc/16/30/09/655163009.db2.gz AVBHGZUCEHVFNB-ZNMIVQPWSA-N 1 0 376.592 1.043 20 0 GDADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2c(Br)nnn2C)CC1 ZINC000810695036 655170609 /nfs/dbraw/zinc/17/06/09/655170609.db2.gz MBHHJNUWYZBOQI-LLVKDONJSA-N 1 0 393.289 1.928 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000762701871 655174422 /nfs/dbraw/zinc/17/44/22/655174422.db2.gz SOBJCZLCADCFCW-OAHLLOKOSA-N 1 0 393.843 1.776 20 0 GDADRO O=C(c1cn(-c2ccccc2Br)nn1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000837306370 655177847 /nfs/dbraw/zinc/17/78/47/655177847.db2.gz GKWDQYKEMAZIJJ-VXGBXAGGSA-N 1 0 376.258 1.711 20 0 GDADRO O=C(c1c(Br)nc2n1CCCC2)N1CC[NH+](C2CCOCC2)CC1 ZINC000837452120 655184080 /nfs/dbraw/zinc/18/40/80/655184080.db2.gz QJTWWGFVLUTZRS-UHFFFAOYSA-N 1 0 397.317 1.919 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)C1 ZINC000763058029 655184335 /nfs/dbraw/zinc/18/43/35/655184335.db2.gz CIQMEMIMBYKKAN-VVLHAWIVSA-N 1 0 384.615 1.787 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c(Br)nc2n1CCCC2 ZINC000837480854 655185389 /nfs/dbraw/zinc/18/53/89/655185389.db2.gz MREWVLLRDAHGJC-CYBMUJFWSA-N 1 0 399.333 1.949 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2csc(CS(C)(=O)=O)n2)C1 ZINC000811448386 655194867 /nfs/dbraw/zinc/19/48/67/655194867.db2.gz VQMCJUBJLKAJGW-OAHLLOKOSA-N 1 0 378.491 1.943 20 0 GDADRO CCC[N@H+](CCS(=O)(=O)N(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000795938445 655196770 /nfs/dbraw/zinc/19/67/70/655196770.db2.gz UIIPIJMWTDGRRK-UHFFFAOYSA-N 1 0 377.551 1.989 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811466560 655197322 /nfs/dbraw/zinc/19/73/22/655197322.db2.gz YSNKVRCKGJOMAV-GJZGRUSLSA-N 1 0 377.551 1.939 20 0 GDADRO CC(C)C[C@@H](C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000811485448 655197883 /nfs/dbraw/zinc/19/78/83/655197883.db2.gz LNLGHKJEAJMTRL-GJZGRUSLSA-N 1 0 377.551 1.797 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000811711973 655203052 /nfs/dbraw/zinc/20/30/52/655203052.db2.gz COFPQCLQMHMOPD-CHWSQXEVSA-N 1 0 380.480 1.736 20 0 GDADRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000796706073 655217953 /nfs/dbraw/zinc/21/79/53/655217953.db2.gz VGDQROFABGLWFZ-HOTGVXAUSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@@H](NCCC[NH+](C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764518401 655217924 /nfs/dbraw/zinc/21/79/24/655217924.db2.gz BMQRNFJXAOIZHI-CYBMUJFWSA-N 1 0 377.532 1.015 20 0 GDADRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000796706077 655218020 /nfs/dbraw/zinc/21/80/20/655218020.db2.gz VGDQROFABGLWFZ-JKSUJKDBSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764818657 655223655 /nfs/dbraw/zinc/22/36/55/655223655.db2.gz MCSYCONRGKSXQZ-LLVKDONJSA-N 1 0 396.481 1.758 20 0 GDADRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765290827 655237562 /nfs/dbraw/zinc/23/75/62/655237562.db2.gz LTXSQVMTMXVLPX-DZGCQCFKSA-N 1 0 392.543 1.470 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(F)cc1Cl ZINC000813741715 655244897 /nfs/dbraw/zinc/24/48/97/655244897.db2.gz SZJMGGBRNKIOQL-RNCFNFMXSA-N 1 0 376.837 1.590 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1nc(C2CC2)ncc1Br ZINC000813803894 655246712 /nfs/dbraw/zinc/24/67/12/655246712.db2.gz BLOAQDRHRNHTTM-UHFFFAOYSA-N 1 0 383.290 1.693 20 0 GDADRO CNS(=O)(=O)[C@H]1CCC[N@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000839518020 655250877 /nfs/dbraw/zinc/25/08/77/655250877.db2.gz XAMZMVDJVIFTBK-GJZGRUSLSA-N 1 0 375.535 1.647 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000839591565 655255225 /nfs/dbraw/zinc/25/52/25/655255225.db2.gz KDNSOYPXTUKWTQ-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3Cl)[C@@H]2C1 ZINC000814143898 655257328 /nfs/dbraw/zinc/25/73/28/655257328.db2.gz CGBWKEPCRMLKHQ-MLGOLLRUSA-N 1 0 383.901 1.656 20 0 GDADRO 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GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c(F)cc1Br ZINC000842882641 655382496 /nfs/dbraw/zinc/38/24/96/655382496.db2.gz RRSKHEJHQJNRNV-RQJHMYQMSA-N 1 0 383.239 1.389 20 0 GDADRO CCN(CC)C(=O)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000818975542 655382547 /nfs/dbraw/zinc/38/25/47/655382547.db2.gz RHQPYLAGGCMMCV-CYBMUJFWSA-N 1 0 377.254 1.786 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818976542 655382722 /nfs/dbraw/zinc/38/27/22/655382722.db2.gz INXXLRODQJYOHQ-SMDDNHRTSA-N 1 0 395.294 1.635 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819036754 655383534 /nfs/dbraw/zinc/38/35/34/655383534.db2.gz GREMMYYIILXEBQ-INIZCTEOSA-N 1 0 398.301 1.153 20 0 GDADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000819061807 655384397 /nfs/dbraw/zinc/38/43/97/655384397.db2.gz RNIPNGLUYOOORU-ZDUSSCGKSA-N 1 0 394.331 1.992 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCN1C1CCOCC1 ZINC000819129360 655386749 /nfs/dbraw/zinc/38/67/49/655386749.db2.gz HGXDEZDWOXGIMQ-HZPDHXFCSA-N 1 0 383.286 1.852 20 0 GDADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1 ZINC000819156200 655387115 /nfs/dbraw/zinc/38/71/15/655387115.db2.gz QINTVYJTVSBZNO-AWEZNQCLSA-N 1 0 383.388 1.177 20 0 GDADRO CN(CC[NH2+]C[C@H](O)c1c(F)cccc1F)S(=O)(=O)c1cccs1 ZINC000819179393 655387616 /nfs/dbraw/zinc/38/76/16/655387616.db2.gz AGUHQXBNGKBUTO-ZDUSSCGKSA-N 1 0 376.450 1.970 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000819190274 655388042 /nfs/dbraw/zinc/38/80/42/655388042.db2.gz NTSWCBVLBKZYHO-KGLIPLIRSA-N 1 0 377.304 1.496 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)O1 ZINC000819209072 655388162 /nfs/dbraw/zinc/38/81/62/655388162.db2.gz UBELVRQNEMADNO-DFBGVHRSSA-N 1 0 389.265 1.847 20 0 GDADRO C[C@](O)(C[NH2+]CC(=O)N1CCOCC1)c1ccc(Br)cc1F ZINC000819210980 655388170 /nfs/dbraw/zinc/38/81/70/655388170.db2.gz ONUQNIWCRGTGJG-HNNXBMFYSA-N 1 0 375.238 1.244 20 0 GDADRO COC[C@H](C)OC[C@@H](O)C[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000843084012 655388182 /nfs/dbraw/zinc/38/81/82/655388182.db2.gz UNJRIMIUZQPEST-WHOFXGATSA-N 1 0 375.849 1.147 20 0 GDADRO CON(C)C(=O)CC[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000819201929 655388190 /nfs/dbraw/zinc/38/81/90/655388190.db2.gz YMLJTBIUABFKMD-UHFFFAOYSA-N 1 0 384.376 1.358 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1cccs1 ZINC000843096924 655388259 /nfs/dbraw/zinc/38/82/59/655388259.db2.gz GDVSTSIUKBMPHA-FZMZJTMJSA-N 1 0 393.889 1.998 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+]C[C@@H](O)c1cc(F)ccc1F)c1cccs1 ZINC000843100740 655388456 /nfs/dbraw/zinc/38/84/56/655388456.db2.gz YFSIAVNIIXTDIS-BXUZGUMPSA-N 1 0 377.434 1.484 20 0 GDADRO CON(C)C(=O)CC[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000843116414 655388777 /nfs/dbraw/zinc/38/87/77/655388777.db2.gz KYXJBJBFQYBWOG-LLVKDONJSA-N 1 0 377.254 1.739 20 0 GDADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)s1 ZINC000819274566 655389033 /nfs/dbraw/zinc/38/90/33/655389033.db2.gz LEDVKXIPBCPDJB-INIZCTEOSA-N 1 0 392.543 1.907 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccccc1Br ZINC000819289942 655389250 /nfs/dbraw/zinc/38/92/50/655389250.db2.gz SLZPDSTUUXAYBM-GLQYFDAESA-N 1 0 391.331 1.790 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000819310792 655389695 /nfs/dbraw/zinc/38/96/95/655389695.db2.gz DJQUMNARGOSTON-IUODEOHRSA-N 1 0 379.885 1.373 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C1 ZINC000843326435 655392634 /nfs/dbraw/zinc/39/26/34/655392634.db2.gz MKZVMFPUTFJACO-LBPRGKRZSA-N 1 0 380.495 1.122 20 0 GDADRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843346673 655393229 /nfs/dbraw/zinc/39/32/29/655393229.db2.gz FTZKMHXXODRRKM-INIZCTEOSA-N 1 0 382.511 1.401 20 0 GDADRO CCCN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000843349404 655393385 /nfs/dbraw/zinc/39/33/85/655393385.db2.gz YLVZCMSTAUFFOE-ZDUSSCGKSA-N 1 0 375.441 1.695 20 0 GDADRO CN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCC([NH3+])CC1 ZINC000843353668 655393518 /nfs/dbraw/zinc/39/35/18/655393518.db2.gz IKJPUTUPHKUYQR-UHFFFAOYSA-N 1 0 375.441 1.823 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843365016 655393774 /nfs/dbraw/zinc/39/37/74/655393774.db2.gz AGSSWOWTYSDDMC-CYBMUJFWSA-N 1 0 384.274 1.581 20 0 GDADRO CC[C@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[C@H]1[NH3+] ZINC000843377228 655393931 /nfs/dbraw/zinc/39/39/31/655393931.db2.gz LXEGLSLRMLQENW-SMDDNHRTSA-N 1 0 375.441 1.681 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCS2(=O)=O)CN(C(=O)OC(C)(C)C)C1 ZINC000843399539 655394352 /nfs/dbraw/zinc/39/43/52/655394352.db2.gz KSYYVLBXABOCQE-HUUCEWRRSA-N 1 0 375.535 1.647 20 0 GDADRO COc1cc(CNC(=O)CO[C@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000843415315 655394630 /nfs/dbraw/zinc/39/46/30/655394630.db2.gz JDAMPPSMPLNSAS-LBPRGKRZSA-N 1 0 387.274 1.851 20 0 GDADRO CC[C@@H]1CN(C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)CC[C@@H]1[NH3+] ZINC000843471458 655395999 /nfs/dbraw/zinc/39/59/99/655395999.db2.gz UVYHEJHHVJTODI-XQQFMLRXSA-N 1 0 388.921 1.378 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccc1Cl ZINC000843482650 655396476 /nfs/dbraw/zinc/39/64/76/655396476.db2.gz BZYNZWTVEHHCNA-GFCCVEGCSA-N 1 0 397.831 1.249 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000843492542 655396902 /nfs/dbraw/zinc/39/69/02/655396902.db2.gz NNKTUFBGQPPDDS-SWLSCSKDSA-N 1 0 386.279 1.984 20 0 GDADRO Cc1c(C(=O)NCCCCCC[NH3+])cc(Br)cc1S(N)(=O)=O ZINC000843512170 655397475 /nfs/dbraw/zinc/39/74/75/655397475.db2.gz REIYHJPTZGBPPA-UHFFFAOYSA-N 1 0 392.319 1.654 20 0 GDADRO COc1cc2[nH+]ccc(NC[C@H]3CC(C(N)=O)=NO3)c2cc1Br ZINC000819929023 655400002 /nfs/dbraw/zinc/40/00/02/655400002.db2.gz ZXUGHPNTRGUZMH-MRVPVSSYSA-N 1 0 379.214 1.470 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000844035312 655405602 /nfs/dbraw/zinc/40/56/02/655405602.db2.gz NFCWKFJRRGUFOB-XHDPSFHLSA-N 1 0 388.295 1.995 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cccnc1SC(F)(F)F ZINC000844037211 655405754 /nfs/dbraw/zinc/40/57/54/655405754.db2.gz SJNUSZOMBNBQBA-SNVBAGLBSA-N 1 0 376.404 1.886 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)c1nccn3c(Br)cnc13)CCO2 ZINC000844093827 655407018 /nfs/dbraw/zinc/40/70/18/655407018.db2.gz IJOPDQXFHHUBDC-UHFFFAOYSA-N 1 0 394.273 1.429 20 0 GDADRO O=C(NCc1ccc(Br)cc1N1CCOCC1)[C@]1(F)CC[NH2+]C1 ZINC000844202815 655408522 /nfs/dbraw/zinc/40/85/22/655408522.db2.gz IJPXHSGLAGZPJQ-INIZCTEOSA-N 1 0 386.265 1.604 20 0 GDADRO C[NH+](C)CCN1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1=O ZINC000844375330 655409859 /nfs/dbraw/zinc/40/98/59/655409859.db2.gz DLIWWNWEIGVGKN-HNNXBMFYSA-N 1 0 388.281 1.327 20 0 GDADRO CCS(=O)(=O)NCCC[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000844442258 655410426 /nfs/dbraw/zinc/41/04/26/655410426.db2.gz FZVFLVZILXSQHG-UHFFFAOYSA-N 1 0 377.551 1.943 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000820503716 655410895 /nfs/dbraw/zinc/41/08/95/655410895.db2.gz MNKDASHKDARYPF-TVQRCGJNSA-N 1 0 390.303 1.261 20 0 GDADRO C[NH+](C)CCN1CCN(C(=S)NCc2ccc(Br)cc2)CC1=O ZINC000844569921 655411329 /nfs/dbraw/zinc/41/13/29/655411329.db2.gz QIRVOENQCBFZNX-UHFFFAOYSA-N 1 0 399.358 1.529 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cn4ncnc34)[C@H]2C1 ZINC000820588861 655412286 /nfs/dbraw/zinc/41/22/86/655412286.db2.gz XLCDAZDGQQFCIN-UONOGXRCSA-N 1 0 394.273 1.427 20 0 GDADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000820793511 655416927 /nfs/dbraw/zinc/41/69/27/655416927.db2.gz ZOBZNLZIBVXRPF-MRVPVSSYSA-N 1 0 396.282 1.306 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000844962796 655421443 /nfs/dbraw/zinc/42/14/43/655421443.db2.gz FMUJRSNHDCVZIG-DLBZAZTESA-N 1 0 376.904 1.933 20 0 GDADRO CCn1ncc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1Br ZINC000821143571 655423348 /nfs/dbraw/zinc/42/33/48/655423348.db2.gz MIFMMWWTNIJBQV-IACUBPJLSA-N 1 0 385.306 1.989 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cnc(Cl)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000821329439 655426680 /nfs/dbraw/zinc/42/66/80/655426680.db2.gz DGLUWOJFTJOUQA-GFCCVEGCSA-N 1 0 376.910 1.045 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000845670670 655434087 /nfs/dbraw/zinc/43/40/87/655434087.db2.gz DTNXTTKNYNNORW-ZIAGYGMSSA-N 1 0 391.343 1.908 20 0 GDADRO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CCN1C(=O)OC(C)(C)C ZINC000846031521 655445617 /nfs/dbraw/zinc/44/56/17/655445617.db2.gz MSTTZKLAHRAMRI-QLFBSQMISA-N 1 0 375.535 1.646 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)ccc1S(=O)(=O)C(F)F ZINC000846195863 655449697 /nfs/dbraw/zinc/44/96/97/655449697.db2.gz VBRMTNFIPNIHBH-BDJLRTHQSA-N 1 0 379.425 1.884 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)ccc1Cl ZINC000846233268 655450399 /nfs/dbraw/zinc/45/03/99/655450399.db2.gz DORKHPBNEIGOJP-UHFFFAOYSA-N 1 0 380.919 1.493 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1Cl 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20 0 GDADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cnc(I)c([O-])c2)C1 ZINC000823531639 655464412 /nfs/dbraw/zinc/46/44/12/655464412.db2.gz CBVJNYKWBRMELN-JTQLQIEISA-N 1 0 389.237 1.854 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN(C)C[C@H](O)c1cccc(Br)c1 ZINC000846992212 655464466 /nfs/dbraw/zinc/46/44/66/655464466.db2.gz BNXHABONTDKZOB-HOTGVXAUSA-N 1 0 375.307 1.353 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cnc(F)c(Br)c2)C1 ZINC000847426353 655469356 /nfs/dbraw/zinc/46/93/56/655469356.db2.gz YFODWVKXSRYDIJ-JTQLQIEISA-N 1 0 387.253 1.300 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1csc(I)n1 ZINC000824740907 655479779 /nfs/dbraw/zinc/47/97/79/655479779.db2.gz LZRQCNIMUOYGRI-DTWKUNHWSA-N 1 0 393.250 1.341 20 0 GDADRO O=C(c1nc(F)ccc1Br)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000848209346 655484625 /nfs/dbraw/zinc/48/46/25/655484625.db2.gz JPQXBOYKHOJMJZ-NSHDSACASA-N 1 0 399.264 1.410 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000825175932 655485134 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C[N@@H+]1CC[C@H]2CN(C(=O)CNC(=O)c3ccc(Br)s3)CC[C@@H]21 ZINC000827278215 655508612 /nfs/dbraw/zinc/50/86/12/655508612.db2.gz VEVUPJVZRBXWHN-QWRGUYRKSA-N 1 0 386.315 1.793 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CSCc3cc(=O)n4ccsc4n3)CC[C@H]21 ZINC000827347862 655509414 /nfs/dbraw/zinc/50/94/14/655509414.db2.gz YJRPCXSSIWNNLL-TZMCWYRMSA-N 1 0 378.523 1.542 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1CSCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000827459427 655511698 /nfs/dbraw/zinc/51/16/98/655511698.db2.gz KGWMYXGEVYOUCZ-STQMWFEESA-N 1 0 376.309 1.944 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cnn(Cc2ccccc2)c1Br ZINC000827528587 655512703 /nfs/dbraw/zinc/51/27/03/655512703.db2.gz NQCGUHRXSJYXQT-CQSZACIVSA-N 1 0 393.285 1.490 20 0 GDADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3cnc(Cl)n3C)CC2)CC1 ZINC000827756507 655515969 /nfs/dbraw/zinc/51/59/69/655515969.db2.gz VDUCPYNVXDCPBH-UHFFFAOYSA-N 1 0 389.953 1.254 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(Br)cnc1Br ZINC000827749993 655515990 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Cn1nc(C(F)(F)F)cc1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000850184056 655551044 /nfs/dbraw/zinc/55/10/44/655551044.db2.gz KZCYKLUNSHWSER-UHFFFAOYSA-N 1 0 394.341 1.843 20 0 GDADRO CCOC(=O)NC1CCC([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000850446633 655555299 /nfs/dbraw/zinc/55/52/99/655555299.db2.gz APVZOUOSBCBQRX-RUXDESIVSA-N 1 0 390.527 1.530 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1)C[NH+](C)C ZINC000850458474 655555704 /nfs/dbraw/zinc/55/57/04/655555704.db2.gz UGNBUMJBBPUVQD-SECBINFHSA-N 1 0 384.893 1.449 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cnc1Cl ZINC000850589324 655559384 /nfs/dbraw/zinc/55/93/84/655559384.db2.gz SGAKKMOWHOLWBB-OCCSQVGLSA-N 1 0 389.905 1.651 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])s1 ZINC000850592718 655559725 /nfs/dbraw/zinc/55/97/25/655559725.db2.gz XAVRZRCQAAXRHA-NEPJUHHUSA-N 1 0 375.516 1.395 20 0 GDADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000850593712 655559905 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1.262 20 0 GDADRO CC1CC[NH+](CCCCNC(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 ZINC000851980719 655604958 /nfs/dbraw/zinc/60/49/58/655604958.db2.gz KYYNYOGNJGDTGR-UHFFFAOYSA-N 1 0 387.468 1.775 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000852017753 655605870 /nfs/dbraw/zinc/60/58/70/655605870.db2.gz FHQQMADXSKZKIF-AWEZNQCLSA-N 1 0 384.435 1.071 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000852061271 655606924 /nfs/dbraw/zinc/60/69/24/655606924.db2.gz MCRMRLIABOPSQN-VXGBXAGGSA-N 1 0 390.339 1.961 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCCS(=O)(=O)CC(F)(F)F)C1CCCCC1 ZINC000852110431 655607860 /nfs/dbraw/zinc/60/78/60/655607860.db2.gz OJAOQNBPTINPHN-CYBMUJFWSA-N 1 0 387.468 1.773 20 0 GDADRO C[C@]12CC[N@H+](CCC(=O)NC(N)=O)C[C@H]1C2(Br)Br ZINC000852336104 655612630 /nfs/dbraw/zinc/61/26/30/655612630.db2.gz VKPYYUKEYZTEGO-XCBNKYQSSA-N 1 0 383.084 1.399 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[S@@](=O)CC(F)(F)F ZINC000852457214 655614847 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[NH3+]C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)CCCO1 ZINC000852889075 655625265 /nfs/dbraw/zinc/62/52/65/655625265.db2.gz BGNGEORXJDCZMW-ZDUSSCGKSA-N 1 0 379.258 1.825 20 0 GDADRO O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852898446 655625799 /nfs/dbraw/zinc/62/57/99/655625799.db2.gz YXXVRZDZJXKSSL-BXKDBHETSA-N 1 0 375.313 1.446 20 0 GDADRO C[C@]12CCN(C(=O)C[C@H]3C[NH2+]CCO3)C[C@H]1C2(Br)Br ZINC000852901501 655626114 /nfs/dbraw/zinc/62/61/14/655626114.db2.gz JPRLQAXNSLFHLE-UMNHJUIQSA-N 1 0 396.123 1.719 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000852917820 655628294 /nfs/dbraw/zinc/62/82/94/655628294.db2.gz RGWFKNFOSNWLGM-VXGBXAGGSA-N 1 0 376.910 1.282 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)[C@@H](CCSC)NS(=O)(=O)/C=C/c1ccccc1 ZINC000852919814 655628307 /nfs/dbraw/zinc/62/83/07/655628307.db2.gz CKUSLYUAAHYWLT-HKFUTYSHSA-N 1 0 385.555 1.423 20 0 GDADRO C[C@]1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC[NH2+]C1 ZINC000852927169 655628544 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C[NH+](C)CCCOC1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1 ZINC000854309429 655662033 /nfs/dbraw/zinc/66/20/33/655662033.db2.gz NDDYTGQXBTVPMG-RUZDIDTESA-N 1 0 387.468 1.440 20 0 GDADRO O=Cc1ccc(OCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(Br)c1 ZINC000854353292 655663603 /nfs/dbraw/zinc/66/36/03/655663603.db2.gz VXKPJJIJAYMIID-CQSZACIVSA-N 1 0 396.285 1.147 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3csc(I)n3)C2)C1 ZINC000854605092 655672296 /nfs/dbraw/zinc/67/22/96/655672296.db2.gz HOONSBPVTFOGPL-GFCCVEGCSA-N 1 0 377.251 1.916 20 0 GDADRO COc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)cnc1Br ZINC000854641903 655673163 /nfs/dbraw/zinc/67/31/63/655673163.db2.gz HICPAJNCBYPLTE-CHWSQXEVSA-N 1 0 384.274 1.788 20 0 GDADRO C[C@H](CC(=O)NCC[C@@H](C)[NH+](C)C)NS(=O)(=O)c1cccnc1Cl ZINC000855410684 655693691 /nfs/dbraw/zinc/69/36/91/655693691.db2.gz IOOLJLQUHXWLKT-VXGBXAGGSA-N 1 0 376.910 1.248 20 0 GDADRO CC[C@@H]1CN(C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)C[C@H](C)[NH2+]1 ZINC000856406801 655712906 /nfs/dbraw/zinc/71/29/06/655712906.db2.gz IMBQCQFELAEYNC-GXSJLCMTSA-N 1 0 390.303 1.309 20 0 GDADRO C[NH+](C)Cc1ccnc(NC(=O)c2c(Br)nc3n2CCOC3)c1 ZINC000857146538 655729120 /nfs/dbraw/zinc/72/91/20/655729120.db2.gz QCVIMVGWHXNZFF-UHFFFAOYSA-N 1 0 380.246 1.885 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)ccc1Cl ZINC000857235678 655731642 /nfs/dbraw/zinc/73/16/42/655731642.db2.gz BWKGGKVLOXTLLO-YGRLFVJLSA-N 1 0 378.903 1.245 20 0 GDADRO Cn1cc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Br)n1 ZINC000858163643 655745243 /nfs/dbraw/zinc/74/52/43/655745243.db2.gz JGSUBTSKRYIIAU-PWSUYJOCSA-N 1 0 379.324 1.380 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000858607424 655749939 /nfs/dbraw/zinc/74/99/39/655749939.db2.gz BYCQREOYRVKKBR-NOZJJQNGSA-N 1 0 377.850 1.255 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858608466 655750062 /nfs/dbraw/zinc/75/00/62/655750062.db2.gz JTSRWVCYZDFDCM-GWCFXTLKSA-N 1 0 379.404 1.983 20 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/nfs/dbraw/zinc/88/90/02/655889002.db2.gz NEMMYFUDIKKYLG-VIFPVBQESA-N 1 0 376.242 1.925 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(I)nn1C ZINC000864081918 655889738 /nfs/dbraw/zinc/88/97/38/655889738.db2.gz MXLFZYPSOVPTMH-BBBLOLIVSA-N 1 0 376.242 1.578 20 0 GDADRO Cn1nc(I)cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000865060843 655911133 /nfs/dbraw/zinc/91/11/33/655911133.db2.gz UVZKGPKDASVGRA-UHFFFAOYSA-N 1 0 388.213 1.035 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cn2ccnc12 ZINC000865059294 655911158 /nfs/dbraw/zinc/91/11/58/655911158.db2.gz MCCDTHKHMDIPTH-QWHCGFSZSA-N 1 0 379.258 1.690 20 0 GDADRO CS(=O)(=O)CCNC(=S)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000865246101 655915237 /nfs/dbraw/zinc/91/52/37/655915237.db2.gz YGBKPGBWADVOHA-QGZVFWFLSA-N 1 0 383.583 1.940 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000865266911 655915737 /nfs/dbraw/zinc/91/57/37/655915737.db2.gz AKZXQMNNJBWVFT-XJKSGUPXSA-N 1 0 382.555 1.660 20 0 GDADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CCN1CCCS1(=O)=O)CC(F)(F)F ZINC000865450237 655919904 /nfs/dbraw/zinc/91/99/04/655919904.db2.gz KHJVZTQNXINXCM-NSHDSACASA-N 1 0 389.440 1.457 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000865706344 655924648 /nfs/dbraw/zinc/92/46/48/655924648.db2.gz TVBWIQWOCPGBCC-MXASKKJJSA-N 1 0 378.314 1.697 20 0 GDADRO COc1cc(C[NH2+]C[C@@H](O)[C@@H](C)O)cc(I)c1OC ZINC000865740105 655925544 /nfs/dbraw/zinc/92/55/44/655925544.db2.gz BKPDMLIBSIMZNW-LDYMZIIASA-N 1 0 381.210 1.140 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]Cc3cc4c(c(Br)c3)OCO4)COCCN12 ZINC000865768154 655926063 /nfs/dbraw/zinc/92/60/63/655926063.db2.gz XPWWURYBMXACRF-OAHLLOKOSA-N 1 0 385.214 1.489 20 0 GDADRO O=C1COC[C@@]2(C[NH2+]Cc3ccc(OC(F)F)c(Cl)c3)COCCN12 ZINC000865797033 655927110 /nfs/dbraw/zinc/92/71/10/655927110.db2.gz CTVVTSUEAIFCEX-MRXNPFEDSA-N 1 0 376.787 1.659 20 0 GDADRO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000865799536 655927211 /nfs/dbraw/zinc/92/72/11/655927211.db2.gz BKJHFRNRGOYWQH-MRXNPFEDSA-N 1 0 375.252 1.719 20 0 GDADRO C[C@H](CNC(=O)c1nc(Br)sc1Cl)N1CC[NH+](C)CC1 ZINC000865816215 655927682 /nfs/dbraw/zinc/92/76/82/655927682.db2.gz BZYUWRCKLZUBJE-MRVPVSSYSA-N 1 0 381.727 1.925 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2nccn2CC(F)(F)F)cc1 ZINC000865818543 655927916 /nfs/dbraw/zinc/92/79/16/655927916.db2.gz BQUSMSJVVSCKQV-UHFFFAOYSA-N 1 0 376.404 1.686 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(I)nn1C ZINC000866047274 655933883 /nfs/dbraw/zinc/93/38/83/655933883.db2.gz XTXMQFWRJZVAIU-VHSXEESVSA-N 1 0 376.242 1.437 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cnn(C)c1Br ZINC000866422985 655942010 /nfs/dbraw/zinc/94/20/10/655942010.db2.gz UXMHRMBCGCHSJP-LLVKDONJSA-N 1 0 379.324 1.725 20 0 GDADRO C[NH+](C)C1CCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC1 ZINC000866483736 655946180 /nfs/dbraw/zinc/94/61/80/655946180.db2.gz KZCVICFEVPGIFO-UHFFFAOYSA-N 1 0 379.404 1.902 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c(Br)n1 ZINC000866531322 655948288 /nfs/dbraw/zinc/94/82/88/655948288.db2.gz GCMBMASRVIQOOU-UHFFFAOYSA-N 1 0 391.335 1.822 20 0 GDADRO Cn1ncc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1Br ZINC000866547299 655948806 /nfs/dbraw/zinc/94/88/06/655948806.db2.gz VAYRYMUCFQBEMH-UHFFFAOYSA-N 1 0 377.308 1.335 20 0 GDADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000866572830 655950049 /nfs/dbraw/zinc/95/00/49/655950049.db2.gz FNSOIDWYAKAITK-ZDUSSCGKSA-N 1 0 389.949 1.981 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000866694532 655954938 /nfs/dbraw/zinc/95/49/38/655954938.db2.gz MXCAYLSKAZFSOR-OAHLLOKOSA-N 1 0 375.535 1.649 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2cc(F)cc(Br)c2)C1 ZINC000866714681 655956212 /nfs/dbraw/zinc/95/62/12/655956212.db2.gz VBUAGDALDWHPSC-ZNMIVQPWSA-N 1 0 384.249 1.955 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000866740806 655957938 /nfs/dbraw/zinc/95/79/38/655957938.db2.gz VBDFOJOOGVYGPV-NSHDSACASA-N 1 0 377.304 1.877 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000866740697 655957939 /nfs/dbraw/zinc/95/79/39/655957939.db2.gz UOOZYMZZFLVEDX-GXFFZTMASA-N 1 0 377.304 1.957 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000866742628 655958069 /nfs/dbraw/zinc/95/80/69/655958069.db2.gz AJKRAZRMOVMADV-FZMZJTMJSA-N 1 0 377.304 1.635 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1Br ZINC000866744781 655958278 /nfs/dbraw/zinc/95/82/78/655958278.db2.gz TXEVCHLHKIEKKJ-MNOVXSKESA-N 1 0 377.308 1.335 20 0 GDADRO C[C@]1(CNS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CCC[NH2+]C1 ZINC000866761526 655959911 /nfs/dbraw/zinc/95/99/11/655959911.db2.gz XMYNTJNZKVCXQG-AWEZNQCLSA-N 1 0 379.404 1.855 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Br)n1 ZINC000866770474 655961193 /nfs/dbraw/zinc/96/11/93/655961193.db2.gz ZMHLSRRMXMRYOG-QWRGUYRKSA-N 1 0 377.308 1.193 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Br)n1 ZINC000866770368 655961210 /nfs/dbraw/zinc/96/12/10/655961210.db2.gz WBDZVYOMLHCFCJ-GHMZBOCLSA-N 1 0 377.308 1.335 20 0 GDADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc(Cl)nc3F)CC2)C1 ZINC000866771892 655961592 /nfs/dbraw/zinc/96/15/92/655961592.db2.gz LGFCGLMCGKSFRB-NWDGAFQWSA-N 1 0 377.869 1.781 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)nc3F)C2)C1 ZINC000866773850 655961810 /nfs/dbraw/zinc/96/18/10/655961810.db2.gz GIYZSFTZARJDAB-IJLUTSLNSA-N 1 0 377.869 1.781 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c(OC)cc1F ZINC000866778174 655962407 /nfs/dbraw/zinc/96/24/07/655962407.db2.gz BEJDZAIKJFMYTA-LLVKDONJSA-N 1 0 388.339 1.131 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2nc[nH]c2Br)CC[C@@H]1C(F)(F)F ZINC000866779201 655962663 /nfs/dbraw/zinc/96/26/63/655962663.db2.gz JWEBUODASNSSFX-BQBZGAKWSA-N 1 0 391.213 1.320 20 0 GDADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 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GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCc2cc(C)c(Br)cc2C1 ZINC000926440534 656755691 /nfs/dbraw/zinc/75/56/91/656755691.db2.gz SFFBCAWMOIEZBI-UHFFFAOYSA-N 1 0 382.302 1.710 20 0 GDADRO OC[C@@H]1CC[C@@H](CO)[NH+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000878883117 656755824 /nfs/dbraw/zinc/75/58/24/656755824.db2.gz QSBVVDIKWUSLKY-AVGNSLFASA-N 1 0 394.693 1.660 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cs1)C(N)=O ZINC000878947276 656762609 /nfs/dbraw/zinc/76/26/09/656762609.db2.gz MMSWKRLQVKJNOF-XBFCOCLRSA-N 1 0 384.571 1.840 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2c(Br)cnn2C)C1 ZINC000879059491 656770840 /nfs/dbraw/zinc/77/08/40/656770840.db2.gz BRAGBZWBZGUWLT-CYBMUJFWSA-N 1 0 387.322 1.684 20 0 GDADRO COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000879080048 656771945 /nfs/dbraw/zinc/77/19/45/656771945.db2.gz VQAJNUJDWUYBRK-GUYCJALGSA-N 1 0 375.535 1.470 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)Nc3ccncc3Br)CC2)CC1 ZINC000879073212 656772034 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1.609 20 0 GDADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000927023618 656787130 /nfs/dbraw/zinc/78/71/30/656787130.db2.gz DQMJOCQKXRPCFU-CFVMTHIKSA-N 1 0 392.315 1.522 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000927046410 656788667 /nfs/dbraw/zinc/78/86/67/656788667.db2.gz AQUCSAPTWCZFMU-OCCSQVGLSA-N 1 0 377.507 1.187 20 0 GDADRO CC[N@H+](C)C[C@@H](O)CN(C)[C@@H](C(=O)OC)c1ccc(Br)s1 ZINC000879494515 656799128 /nfs/dbraw/zinc/79/91/28/656799128.db2.gz UHFKSJBEOPLWHT-ZWNOBZJWSA-N 1 0 379.320 1.969 20 0 GDADRO CN1C(=O)[C@H]2C[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)C[C@H]2C1=O ZINC000879533416 656802238 /nfs/dbraw/zinc/80/22/38/656802238.db2.gz GTOKUGGRIAGSTN-TXEJJXNPSA-N 1 0 384.263 1.199 20 0 GDADRO Cn1nc(Br)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000879638722 656811394 /nfs/dbraw/zinc/81/13/94/656811394.db2.gz CCGACZNQAJYVMX-LBPRGKRZSA-N 1 0 386.294 1.759 20 0 GDADRO O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927631431 656820513 /nfs/dbraw/zinc/82/05/13/656820513.db2.gz SYCLKQRPAMULQH-WDEREUQCSA-N 1 0 375.338 1.097 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cs1)C(N)=O ZINC000879818517 656832828 /nfs/dbraw/zinc/83/28/28/656832828.db2.gz HIQNPCDQXMANMY-DGCLKSJQSA-N 1 0 384.571 1.888 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000927810967 656840676 /nfs/dbraw/zinc/84/06/76/656840676.db2.gz PKCPYPRSQDOQDS-RDDDGLTNSA-N 1 0 390.665 1.774 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000927811740 656841111 /nfs/dbraw/zinc/84/11/11/656841111.db2.gz YUCMGTDZZDINNT-LDYMZIIASA-N 1 0 379.766 1.944 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000927812145 656841225 /nfs/dbraw/zinc/84/12/25/656841225.db2.gz KJWZGKJKEVCKBB-LDYMZIIASA-N 1 0 386.246 1.129 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000927815815 656841566 /nfs/dbraw/zinc/84/15/66/656841566.db2.gz QZTYEFMEXJCRHV-SFYZADRCSA-N 1 0 376.201 1.638 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000927816112 656841611 /nfs/dbraw/zinc/84/16/11/656841611.db2.gz MXJFTVWRKVRINL-KOLCDFICSA-N 1 0 384.249 1.449 20 0 GDADRO COc1cc(SC)ccc1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000927842360 656843798 /nfs/dbraw/zinc/84/37/98/656843798.db2.gz MSELZYDHBBGUKX-NXEZZACHSA-N 1 0 377.388 1.704 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2F)C[C@H]1C(F)(F)F ZINC000927843574 656844000 /nfs/dbraw/zinc/84/40/00/656844000.db2.gz YQJAKEDTLCADBQ-VXNVDRBHSA-N 1 0 398.154 1.875 20 0 GDADRO O=S1(=O)C[C@@H]2CC[N@@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000879940028 656844402 /nfs/dbraw/zinc/84/44/02/656844402.db2.gz LWZOSDSSMJHOEF-LZWOXQAQSA-N 1 0 377.428 1.975 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[C@H]1C(F)(F)F ZINC000927848783 656844934 /nfs/dbraw/zinc/84/49/34/656844934.db2.gz KVWBUBPOZBRJST-RKDXNWHRSA-N 1 0 395.179 1.521 20 0 GDADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2cccc(Br)n2)CC[C@H]1C(F)(F)F ZINC000927847947 656845004 /nfs/dbraw/zinc/84/50/04/656845004.db2.gz YIISKGFEXSFCHM-SFYZADRCSA-N 1 0 395.179 1.521 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cs1)C(N)=O ZINC000879981839 656850410 /nfs/dbraw/zinc/85/04/10/656850410.db2.gz XTMFHVVLFUXBSX-OBJOEFQTSA-N 1 0 382.555 1.737 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000927886616 656850845 /nfs/dbraw/zinc/85/08/45/656850845.db2.gz PRPAUVCSEOQDCT-LLVKDONJSA-N 1 0 384.274 1.984 20 0 GDADRO Cc1sc2ncnc(SCC(=O)N[C@@H](CO)C[NH+]3CCCC3)c2c1C ZINC000879996913 656853153 /nfs/dbraw/zinc/85/31/53/656853153.db2.gz XQXMSAMKFVSGNA-CYBMUJFWSA-N 1 0 380.539 1.973 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2cn(C)nc2Br)CC1 ZINC000880056986 656860343 /nfs/dbraw/zinc/86/03/43/656860343.db2.gz NHDCZWOZTLBMEO-UHFFFAOYSA-N 1 0 395.261 1.940 20 0 GDADRO O=C(CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)Nc1ccccc1Br ZINC000880070599 656865593 /nfs/dbraw/zinc/86/55/93/656865593.db2.gz RVDRHWCPNDKSJS-UONOGXRCSA-N 1 0 382.302 1.919 20 0 GDADRO Cc1ccc(NC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(Br)c1 ZINC000880072590 656865855 /nfs/dbraw/zinc/86/58/55/656865855.db2.gz ZHYVIOVUEQZUAN-UONOGXRCSA-N 1 0 382.302 1.837 20 0 GDADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(C(F)(F)F)nc1 ZINC000880098189 656869081 /nfs/dbraw/zinc/86/90/81/656869081.db2.gz NGKFMNQXAZMYNI-SNVBAGLBSA-N 1 0 377.392 1.463 20 0 GDADRO C[N@H+](CCNC(=O)Nc1cccc(Br)c1F)CCOCCO ZINC000880109870 656869452 /nfs/dbraw/zinc/86/94/52/656869452.db2.gz KNOXMSRGPLXCMK-UHFFFAOYSA-N 1 0 378.242 1.650 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000928097848 656872216 /nfs/dbraw/zinc/87/22/16/656872216.db2.gz MTFDYLFLJDUAJM-PMPSAXMXSA-N 1 0 383.583 1.774 20 0 GDADRO CS(=O)(=O)Nc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1F ZINC000928098433 656873188 /nfs/dbraw/zinc/87/31/88/656873188.db2.gz PIASONGNISDBBH-DZGCQCFKSA-N 1 0 387.502 1.507 20 0 GDADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880218503 656875654 /nfs/dbraw/zinc/87/56/54/656875654.db2.gz OFYZDTHKLPVNGR-OSMBCOQSSA-N 1 0 388.302 1.801 20 0 GDADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880221034 656876244 /nfs/dbraw/zinc/87/62/44/656876244.db2.gz IUXGTRJRIYETLS-ZXIHIIQKSA-N 1 0 384.274 1.623 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000880248739 656879139 /nfs/dbraw/zinc/87/91/39/656879139.db2.gz YAMALSOLBQFMAY-UKRRQHHQSA-N 1 0 385.555 1.529 20 0 GDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928356848 656895407 /nfs/dbraw/zinc/89/54/07/656895407.db2.gz HQKJQGIIFAFROT-KGLIPLIRSA-N 1 0 380.290 1.293 20 0 GDADRO COC(=O)[C@@]1(O)CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000880566108 656898460 /nfs/dbraw/zinc/89/84/60/656898460.db2.gz UIZTXZOQGRUQEH-HUUCEWRRSA-N 1 0 392.677 1.920 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c1I ZINC000928428094 656901457 /nfs/dbraw/zinc/90/14/57/656901457.db2.gz PMOKMCIHKCDUIQ-ONGXEEELSA-N 1 0 376.242 1.891 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000880659005 656902885 /nfs/dbraw/zinc/90/28/85/656902885.db2.gz VKEBGGJJQWJOCK-GXTWGEPZSA-N 1 0 385.555 1.577 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[N@@H+]1C ZINC000928452528 656903953 /nfs/dbraw/zinc/90/39/53/656903953.db2.gz IDPPNFCPSGBKGI-MFKMUULPSA-N 1 0 379.258 1.368 20 0 GDADRO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000880759418 656906897 /nfs/dbraw/zinc/90/68/97/656906897.db2.gz KXFBKRNUFFGLGY-ZDUSSCGKSA-N 1 0 387.571 1.824 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928570929 656917326 /nfs/dbraw/zinc/91/73/26/656917326.db2.gz YVTBGHIODFGPTA-OCCSQVGLSA-N 1 0 389.518 1.046 20 0 GDADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000881113661 656917559 /nfs/dbraw/zinc/91/75/59/656917559.db2.gz DONFVPPGGYQEBX-NEPJUHHUSA-N 1 0 384.527 1.705 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)C[C@@H]1[NH+](C)C ZINC000881118505 656920350 /nfs/dbraw/zinc/92/03/50/656920350.db2.gz YOKDELXHZSVOHY-QWRGUYRKSA-N 1 0 390.556 1.123 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)Cc2csc(S[C@H](C)C(N)=O)n2)CC1 ZINC000881283562 656926425 /nfs/dbraw/zinc/92/64/25/656926425.db2.gz CNCPUSKEIYUSIY-GFCCVEGCSA-N 1 0 384.571 1.984 20 0 GDADRO O=C(NCc1cn(Cc2ccnc(Br)c2)nn1)C1CC[NH2+]CC1 ZINC000881351204 656930140 /nfs/dbraw/zinc/93/01/40/656930140.db2.gz PBBFVKJEBGFQLG-UHFFFAOYSA-N 1 0 379.262 1.100 20 0 GDADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ncccc3Br)nn2)n1 ZINC000881364405 656930960 /nfs/dbraw/zinc/93/09/60/656930960.db2.gz GGGAVAGVWDQYES-UHFFFAOYSA-N 1 0 376.262 1.838 20 0 GDADRO O[C@H](Cn1cc(CN2CC[NH2+]CC2)nn1)c1ccc(F)c(Br)c1 ZINC000881416991 656934466 /nfs/dbraw/zinc/93/44/66/656934466.db2.gz FNWNAYYIRGXYST-OAHLLOKOSA-N 1 0 384.253 1.319 20 0 GDADRO COC[C@H]([NH3+])Cc1cn(C[C@@](C)(O)c2ccc(Br)cc2F)nn1 ZINC000881424194 656936231 /nfs/dbraw/zinc/93/62/31/656936231.db2.gz LSSXKJFEVDJVEI-IAQYHMDHSA-N 1 0 387.253 1.604 20 0 GDADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1c(Br)cnn1C ZINC000881442312 656937700 /nfs/dbraw/zinc/93/77/00/656937700.db2.gz DNMBQUXSBYJBAV-UHFFFAOYSA-N 1 0 385.306 1.296 20 0 GDADRO O=C(c1cc[nH]c(=O)c1Br)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881477777 656939333 /nfs/dbraw/zinc/93/93/33/656939333.db2.gz ZAOGLYLDHYGQPQ-GFCCVEGCSA-N 1 0 384.274 1.923 20 0 GDADRO Cc1n[nH]c(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1Br ZINC000881622443 656942418 /nfs/dbraw/zinc/94/24/18/656942418.db2.gz MKEAPKFSFFMLQN-UHFFFAOYSA-N 1 0 398.305 1.427 20 0 GDADRO C[N@H+](C[C@H](O)C1(O)CCOCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000929331757 656960730 /nfs/dbraw/zinc/96/07/30/656960730.db2.gz WAOBTSXBPMLGQO-PMPSAXMXSA-N 1 0 376.280 1.786 20 0 GDADRO CCO[C@H](CNC(=O)C(=O)NCc1c(Cl)cccc1Cl)C[NH+](C)C ZINC000929425094 656965950 /nfs/dbraw/zinc/96/59/50/656965950.db2.gz FPUSIYMREWXLTE-LLVKDONJSA-N 1 0 376.284 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GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@@H]1CCCc3sccc31)C2 ZINC000884615664 657366862 /nfs/dbraw/zinc/36/68/62/657366862.db2.gz LKCZIMVLYHGXDJ-LLVKDONJSA-N 1 0 376.507 1.742 20 0 GDADRO CCN(C(=O)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000884621430 657367423 /nfs/dbraw/zinc/36/74/23/657367423.db2.gz IUHHYKIPVLMWFG-TZMCWYRMSA-N 1 0 398.301 1.543 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)Oc1ccccc1Br ZINC000884621601 657367430 /nfs/dbraw/zinc/36/74/30/657367430.db2.gz NJEDRGVVSOGGTI-QJPTWQEYSA-N 1 0 384.274 1.281 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)Oc1ccc(Br)cc1 ZINC000884621433 657367453 /nfs/dbraw/zinc/36/74/53/657367453.db2.gz JAAMRWYGXGIUQL-JHJVBQTASA-N 1 0 398.301 1.386 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884659655 657369279 /nfs/dbraw/zinc/36/92/79/657369279.db2.gz AAFMPELQJDNURE-DLOVCJGASA-N 1 0 382.258 1.208 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 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394.313 1.886 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC23CCSCC3)C[C@H]1C(F)(F)F ZINC000884727606 657376167 /nfs/dbraw/zinc/37/61/67/657376167.db2.gz WXFFUWRWCZBZNJ-IJLUTSLNSA-N 1 0 379.448 1.232 20 0 GDADRO C[N@H+](C[C@H](O)CN[C@@H](CO)c1ccccc1I)C1CC1 ZINC000934828343 657381320 /nfs/dbraw/zinc/38/13/20/657381320.db2.gz OVVTUTNETWEOIE-DOMZBBRYSA-N 1 0 390.265 1.369 20 0 GDADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)nc1F ZINC000884958794 657390446 /nfs/dbraw/zinc/39/04/46/657390446.db2.gz DRKUEQWLIHRZSD-ZJUUUORDSA-N 1 0 378.267 1.888 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1(n2cc(Br)cn2)CC1 ZINC000935019609 657392598 /nfs/dbraw/zinc/39/25/98/657392598.db2.gz XSFFLZRZGLQGNW-KFWWJZLASA-N 1 0 397.317 1.845 20 0 GDADRO O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884977198 657395534 /nfs/dbraw/zinc/39/55/34/657395534.db2.gz LVTLTIGBADZQHA-PHIMTYICSA-N 1 0 375.778 1.653 20 0 GDADRO CC(C)C[C@H](NC(=O)c1ncc(Br)cn1)C(=O)NCC[NH+](C)C 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CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000886602513 657678186 /nfs/dbraw/zinc/67/81/86/657678186.db2.gz SRILFYADSVQGNG-TZMCWYRMSA-N 1 0 384.571 1.840 20 0 GDADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC2(S(=O)(=O)N(C)C)CC2)C1 ZINC000886734800 657685038 /nfs/dbraw/zinc/68/50/38/657685038.db2.gz PVUKLVYAJBQONJ-STQMWFEESA-N 1 0 382.473 1.757 20 0 GDADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2scnc2Cl)C3)CC1 ZINC001002857198 657694261 /nfs/dbraw/zinc/69/42/61/657694261.db2.gz HGWJGYOIRXWHRE-UPJWGTAASA-N 1 0 382.917 2.000 20 0 GDADRO CCN(C(=O)CN(CC[NH3+])Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000886862000 657711800 /nfs/dbraw/zinc/71/18/00/657711800.db2.gz UMPCTCAJMJNTQQ-INIZCTEOSA-N 1 0 387.933 1.136 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)n2)C1 ZINC001004366669 657716283 /nfs/dbraw/zinc/71/62/83/657716283.db2.gz JUKJTZREDVGRMQ-BYNQJWBRSA-N 1 0 382.917 2.000 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 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394.191 1.888 20 0 GDADRO COc1cc(Cl)c(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000887035070 657741240 /nfs/dbraw/zinc/74/12/40/657741240.db2.gz FYJUCGVMMTTZJQ-JTQLQIEISA-N 1 0 375.803 1.957 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(Cl)s3)C[C@H]2O)CC[N@@H+]1C ZINC001023980652 657745427 /nfs/dbraw/zinc/74/54/27/657745427.db2.gz YDFXXMWTPCDTMP-UMSGYPCISA-N 1 0 385.917 1.433 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(Br)cc3-n3cnnn3)C[C@]2(C)C1 ZINC000887923027 657848809 /nfs/dbraw/zinc/84/88/09/657848809.db2.gz KXOPDBULRYDGIT-BZNIZROVSA-N 1 0 391.273 1.449 20 0 GDADRO CCOC(=O)[C@H]1CCCN(CC(=O)NCc2ncc(Br)cn2)C1 ZINC000889712085 658019130 /nfs/dbraw/zinc/01/91/30/658019130.db2.gz UIXUMKDIHBTWGB-NSHDSACASA-N 1 0 385.262 1.130 20 0 GDADRO O=C(N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1(n2cc(Br)cn2)CC1 ZINC000889739702 658024208 /nfs/dbraw/zinc/02/42/08/658024208.db2.gz NGDOMZACJMTNOX-KBPBESRZSA-N 1 0 383.290 1.192 20 0 GDADRO O=C([C@H](O)c1cccc(Br)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO 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MUOGZIYHRHKDDW-KYEXWDHISA-N 1 0 382.448 1.685 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@H](CO)c2ccccc2I)CC1 ZINC000891323308 658226016 /nfs/dbraw/zinc/22/60/16/658226016.db2.gz YPRJUIPLNKBWMG-CQSZACIVSA-N 1 0 388.249 1.783 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000891364629 658231618 /nfs/dbraw/zinc/23/16/18/658231618.db2.gz ZVJMRULCJQMKTH-AAEUAGOBSA-N 1 0 379.404 1.369 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000891375748 658234474 /nfs/dbraw/zinc/23/44/74/658234474.db2.gz TZGNUFKZMZAGKA-UHFFFAOYSA-N 1 0 398.349 1.738 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)NCCN2CCc3sccc3C2)C[C@H]1C(F)(F)F ZINC000891411678 658236947 /nfs/dbraw/zinc/23/69/47/658236947.db2.gz ONRFSVSUGHCABA-QWHCGFSZSA-N 1 0 376.448 1.885 20 0 GDADRO [NH3+][C@H]1CCCCCN(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000891665614 658262506 /nfs/dbraw/zinc/26/25/06/658262506.db2.gz VDRMGTMXRZJNPL-NSHDSACASA-N 1 0 386.440 1.213 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1C(F)(F)F ZINC000891858281 658278150 /nfs/dbraw/zinc/27/81/50/658278150.db2.gz NWDATVYECCEWAP-QWRGUYRKSA-N 1 0 377.388 1.365 20 0 GDADRO Cn1cc(Br)c(CNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)n1 ZINC000891935968 658284485 /nfs/dbraw/zinc/28/44/85/658284485.db2.gz KTPPQIFLYQZACA-HTQZYQBOSA-N 1 0 384.200 1.461 20 0 GDADRO Cn1cc(Br)c(CNC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000891936204 658284959 /nfs/dbraw/zinc/28/49/59/658284959.db2.gz MBYPXERBTSYNPD-CYBMUJFWSA-N 1 0 380.290 1.942 20 0 GDADRO C[N@H+](CCO)CCNC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br ZINC000892211827 658308850 /nfs/dbraw/zinc/30/88/50/658308850.db2.gz YYIUCLHNCFFZCV-UHFFFAOYSA-N 1 0 396.644 1.220 20 0 GDADRO [NH3+]CC1(NC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CCOCC1 ZINC000892323536 658317804 /nfs/dbraw/zinc/31/78/04/658317804.db2.gz WCMKIPUMBAKFOP-NWANDNLSSA-N 1 0 380.286 1.894 20 0 GDADRO [NH3+]CC1(NC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CCOCC1 ZINC000892427517 658326489 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O=S(=O)(NCC[NH2+]Cc1cnc(CC(F)(F)F)s1)c1cccnc1 ZINC000893201132 658384235 /nfs/dbraw/zinc/38/42/35/658384235.db2.gz XOPFTLHTRCCVOB-UHFFFAOYSA-N 1 0 380.417 1.711 20 0 GDADRO O=C(NCc1ncc(Br)cn1)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000893699147 658435360 /nfs/dbraw/zinc/43/53/60/658435360.db2.gz GYVOPYSRFRGWGY-KGLIPLIRSA-N 1 0 398.305 1.682 20 0 GDADRO COC(=O)[C@H]1CC12CC[NH+](Cc1cn(C)nc1I)CC2 ZINC000894026760 658496253 /nfs/dbraw/zinc/49/62/53/658496253.db2.gz HTCLCVPKOVUWBK-LLVKDONJSA-N 1 0 389.237 1.800 20 0 GDADRO C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894035139 658497875 /nfs/dbraw/zinc/49/78/75/658497875.db2.gz VVAMNFHTHIVBSN-LLVKDONJSA-N 1 0 376.425 1.689 20 0 GDADRO C[C@@H]1C[N@@H+](CCCNCc2c(I)cnn2C)C[C@H](C)O1 ZINC000894159377 658513184 /nfs/dbraw/zinc/51/31/84/658513184.db2.gz AOSWUGPHHQWFKL-TXEJJXNPSA-N 1 0 392.285 1.614 20 0 GDADRO C[C@@H]1C[NH+](CCCNCc2cn(C)nc2I)C[C@@H](C)O1 ZINC000894161774 658513818 /nfs/dbraw/zinc/51/38/18/658513818.db2.gz 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GDADRO COC1([C@H](C)[NH2+]Cc2cn(C)nc2I)CCOCC1 ZINC000895038094 658652179 /nfs/dbraw/zinc/65/21/79/658652179.db2.gz ZIHNYJUUPSIBJC-JTQLQIEISA-N 1 0 379.242 1.698 20 0 GDADRO C[C@H]1CC[N@H+](CCNC(=O)NCc2nn(C)cc2I)C1 ZINC000895225773 658676824 /nfs/dbraw/zinc/67/68/24/658676824.db2.gz HFGFTQSCPXWIGQ-JTQLQIEISA-N 1 0 391.257 1.166 20 0 GDADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000895337832 658687927 /nfs/dbraw/zinc/68/79/27/658687927.db2.gz KTJPRPGLHUOYLR-CJNGLKHVSA-N 1 0 385.917 1.979 20 0 GDADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000895338262 658688002 /nfs/dbraw/zinc/68/80/02/658688002.db2.gz PABOJOFKPBIXBW-OKILXGFUSA-N 1 0 385.917 1.837 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(Br)nn2C)cc1OC ZINC000895475965 658703093 /nfs/dbraw/zinc/70/30/93/658703093.db2.gz CHZSRWRKIDGSQL-MRXNPFEDSA-N 1 0 399.289 1.678 20 0 GDADRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C[C@@H]1S(C)(=O)=O ZINC000895509131 658706288 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O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895885153 658737400 /nfs/dbraw/zinc/73/74/00/658737400.db2.gz TZXRIJOWSWKBFY-QWHCGFSZSA-N 1 0 389.279 1.570 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC[NH2+]CC[C@H]2CCOC2)C1 ZINC000896203310 658757434 /nfs/dbraw/zinc/75/74/34/658757434.db2.gz WSFFRZUPXXFJCE-GJZGRUSLSA-N 1 0 376.519 1.427 20 0 GDADRO COC(=O)C[C@@H]1CN(Cc2cn(C)nc2I)C[C@H]1C ZINC000896469764 658781138 /nfs/dbraw/zinc/78/11/38/658781138.db2.gz JWZQHFIYZURTHJ-NXEZZACHSA-N 1 0 377.226 1.656 20 0 GDADRO C[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)[C@H]1C[N@H+](C)CCN1C ZINC000896528763 658783719 /nfs/dbraw/zinc/78/37/19/658783719.db2.gz UKBSIAGLSPKJBJ-HOSYDEDBSA-N 1 0 397.155 1.633 20 0 GDADRO C[C@@H](NC(=O)c1c(Br)nc2n1CCCC2)[C@@H]1C[N@H+](C)CCN1C ZINC000896532171 658785031 /nfs/dbraw/zinc/78/50/31/658785031.db2.gz AIFXIXOOOVSMNI-NEPJUHHUSA-N 1 0 384.322 1.346 20 0 GDADRO C[C@@H](NC(=O)c1c(Br)nc2n1CCCC2)[C@H]1C[N@H+](C)CCN1C ZINC000896532174 658785171 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CC(C)(C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)CS(C)(=O)=O ZINC000896868318 658810584 /nfs/dbraw/zinc/81/05/84/658810584.db2.gz JISJNGAMLMQPIO-UHFFFAOYSA-N 1 0 381.951 1.794 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897016049 658819293 /nfs/dbraw/zinc/81/92/93/658819293.db2.gz MTMNKKJDMGEYSS-KGLIPLIRSA-N 1 0 399.285 1.026 20 0 GDADRO O=C(Nc1cn2cc(Br)ncc2n1)C1C[NH+](C2CCOCC2)C1 ZINC000897419677 658852054 /nfs/dbraw/zinc/85/20/54/658852054.db2.gz DYPMTAZNBWUMAV-UHFFFAOYSA-N 1 0 380.246 1.541 20 0 GDADRO CCN1CC[C@H]1CNC(=O)C(=O)NCc1ccc(Br)cc1OC ZINC000897616884 658874427 /nfs/dbraw/zinc/87/44/27/658874427.db2.gz AXWKGPPOQIBNAG-ZDUSSCGKSA-N 1 0 384.274 1.284 20 0 GDADRO CCCN(CC[NH+]1CCCC1)C(=O)c1c[nH]nc1I ZINC000897734862 658885000 /nfs/dbraw/zinc/88/50/00/658885000.db2.gz JTDMAQCBKAQCOV-UHFFFAOYSA-N 1 0 376.242 1.962 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000897748572 658886781 /nfs/dbraw/zinc/88/67/81/658886781.db2.gz WWSWPHXNLBLWSH-KRWDZBQOSA-N 1 0 385.917 1.529 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000897902642 658899597 /nfs/dbraw/zinc/89/95/97/658899597.db2.gz XAMPASRXGXOPRT-UHFFFAOYSA-N 1 0 376.284 1.347 20 0 GDADRO O=C(NCc1cscc1Cl)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000897938523 658902117 /nfs/dbraw/zinc/90/21/17/658902117.db2.gz FKAJLQFECHRDEI-CABCVRRESA-N 1 0 385.917 1.512 20 0 GDADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897972382 658906315 /nfs/dbraw/zinc/90/63/15/658906315.db2.gz QJYZNQJJJUGQEU-CVEARBPZSA-N 1 0 383.286 1.662 20 0 GDADRO CCCN(C(=O)c1c(C)[nH]nc1I)[C@H]1CC[N@H+](C)C1 ZINC000898082944 658915224 /nfs/dbraw/zinc/91/52/24/658915224.db2.gz HCTIGUBDJCVTLC-JTQLQIEISA-N 1 0 376.242 1.879 20 0 GDADRO COCC[N@@H+]1CC[C@@H](N[C@H](CO)c2ccccc2I)C1 ZINC000898511493 658938390 /nfs/dbraw/zinc/93/83/90/658938390.db2.gz CJBMVMCEVIPPFH-IUODEOHRSA-N 1 0 390.265 1.635 20 0 GDADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc(Br)c[nH]c1=O ZINC000898639813 658943051 /nfs/dbraw/zinc/94/30/51/658943051.db2.gz DSHBZWNJISQKBT-UHFFFAOYSA-N 1 0 384.274 1.923 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C1CCS(=O)(=O)CC1 ZINC000898719110 658951412 /nfs/dbraw/zinc/95/14/12/658951412.db2.gz BKVAAQIEOMPVRY-CMPLNLGQSA-N 1 0 376.320 1.763 20 0 GDADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000899148514 658988397 /nfs/dbraw/zinc/98/83/97/658988397.db2.gz QKSIQSXUWCMEKA-GVDBMIGSSA-N 1 0 395.297 1.804 20 0 GDADRO CCO[C@H](CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)C[NH+](C)C ZINC000899565128 659029935 /nfs/dbraw/zinc/02/99/35/659029935.db2.gz BCBLNKJXJVCRBS-CQSZACIVSA-N 1 0 388.559 1.190 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000899982537 659081210 /nfs/dbraw/zinc/08/12/10/659081210.db2.gz NQNIJXUDCCBUED-AWEZNQCLSA-N 1 0 385.555 1.807 20 0 GDADRO Cc1c(I)ccc(N2C(=O)N[C@H](C[NH+](C)C)C2=O)c1C ZINC000900251475 659096106 /nfs/dbraw/zinc/09/61/06/659096106.db2.gz HAILPKXBXRIDSG-LLVKDONJSA-N 1 0 387.221 1.894 20 0 GDADRO Cc1cc(NC(=O)CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)ccc1Br ZINC000900459963 659109752 /nfs/dbraw/zinc/10/97/52/659109752.db2.gz DWUCYDJUDPOLCR-QGZVFWFLSA-N 1 0 398.301 1.659 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900492955 659113864 /nfs/dbraw/zinc/11/38/64/659113864.db2.gz ZBKUNJLBWWBSBW-UHFFFAOYSA-N 1 0 392.297 1.829 20 0 GDADRO C[NH+]1CCC(NCc2cn(C[C@H](O)c3ccccc3Br)nn2)CC1 ZINC000900580009 659123585 /nfs/dbraw/zinc/12/35/85/659123585.db2.gz FPHLXQOQGHWDFV-KRWDZBQOSA-N 1 0 394.317 1.958 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000900706304 659139425 /nfs/dbraw/zinc/13/94/25/659139425.db2.gz TXJIGOQMBWHDGL-AWEZNQCLSA-N 1 0 385.555 1.807 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000900800980 659146466 /nfs/dbraw/zinc/14/64/66/659146466.db2.gz OOXYNHMBKXJRIN-KGLIPLIRSA-N 1 0 385.555 1.757 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)C1 ZINC000900885091 659156468 /nfs/dbraw/zinc/15/64/68/659156468.db2.gz JEWLEPXPYVRGBY-CQSZACIVSA-N 1 0 385.555 1.616 20 0 GDADRO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000900899910 659159136 /nfs/dbraw/zinc/15/91/36/659159136.db2.gz SUFLMYXNNCAFMA-KRWDZBQOSA-N 1 0 393.285 1.549 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900956015 659173536 /nfs/dbraw/zinc/17/35/36/659173536.db2.gz USHFQMWJRSXVGM-UHFFFAOYSA-N 1 0 395.305 1.248 20 0 GDADRO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000901134766 659195158 /nfs/dbraw/zinc/19/51/58/659195158.db2.gz NMLXKUMOVCWDMC-GFCCVEGCSA-N 1 0 389.283 1.081 20 0 GDADRO C[NH+]1CCC(OCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)CC1 ZINC000901137351 659195172 /nfs/dbraw/zinc/19/51/72/659195172.db2.gz GCTNRZALUBLCTJ-UHFFFAOYSA-N 1 0 383.495 1.749 20 0 GDADRO O=C1c2c(cccc2Br)CN1CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000902642654 659269548 /nfs/dbraw/zinc/26/95/48/659269548.db2.gz BYGWNAPROFXSGY-HZPDHXFCSA-N 1 0 394.313 1.893 20 0 GDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902789195 659279423 /nfs/dbraw/zinc/27/94/23/659279423.db2.gz DIFDNLXOCYAHCG-LBPRGKRZSA-N 1 0 380.436 1.328 20 0 GDADRO CCOC(=O)Cc1csc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)n1 ZINC000902904732 659283289 /nfs/dbraw/zinc/28/32/89/659283289.db2.gz LOQGLJJIFJIZAL-OLZOCXBDSA-N 1 0 384.527 1.950 20 0 GDADRO CCS(=O)(=O)NC1CC[NH+](C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000903010177 659289611 /nfs/dbraw/zinc/28/96/11/659289611.db2.gz PAOYDHVECPGWRD-HNNXBMFYSA-N 1 0 390.933 1.792 20 0 GDADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000903156603 659297695 /nfs/dbraw/zinc/29/76/95/659297695.db2.gz VQOCUHXUOGFWHG-HLIUYOAVSA-N 1 0 388.555 1.849 20 0 GDADRO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC2)C1 ZINC000903230096 659308300 /nfs/dbraw/zinc/30/83/00/659308300.db2.gz VIFRFDOXJOQZNB-GOEBONIOSA-N 1 0 379.592 1.677 20 0 GDADRO CCOC(=O)NC1CCC([NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000903235141 659310250 /nfs/dbraw/zinc/31/02/50/659310250.db2.gz RUHZDUFIULZLPC-PRLABOORSA-N 1 0 375.535 1.741 20 0 GDADRO CC[C@H](C[C@](C)(O)CC)[NH2+][C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000903452774 659315851 /nfs/dbraw/zinc/31/58/51/659315851.db2.gz QMDMUCMXBGAWBT-NEHBASCSSA-N 1 0 375.531 1.805 20 0 GDADRO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(I)s1 ZINC000903499565 659319570 /nfs/dbraw/zinc/31/95/70/659319570.db2.gz LKOKQFIBJXNGDM-BQBZGAKWSA-N 1 0 390.243 1.331 20 0 GDADRO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1ccc(I)s1 ZINC000903511514 659321707 /nfs/dbraw/zinc/32/17/07/659321707.db2.gz UTMAFCCKKIBJSV-UHFFFAOYSA-N 1 0 384.264 1.383 20 0 GDADRO COc1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1OC ZINC000903512474 659321992 /nfs/dbraw/zinc/32/19/92/659321992.db2.gz WGGRGYIZPHDWSF-QWRGUYRKSA-N 1 0 382.404 1.852 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC000903511799 659322014 /nfs/dbraw/zinc/32/20/14/659322014.db2.gz CVVBSJHLXXSHHM-UHFFFAOYSA-N 1 0 376.276 1.445 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)NCC1([NH3+])CC1 ZINC000903524801 659329110 /nfs/dbraw/zinc/32/91/10/659329110.db2.gz ZHNVEQUIYIBRSX-UHFFFAOYSA-N 1 0 393.303 1.634 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903525304 659329589 /nfs/dbraw/zinc/32/95/89/659329589.db2.gz SEOYSOAFOWQFDM-UHFFFAOYSA-N 1 0 385.711 1.758 20 0 GDADRO C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C[NH2+]1 ZINC000903525754 659329912 /nfs/dbraw/zinc/32/99/12/659329912.db2.gz ZHDQQSXZZKZOGE-MWLCHTKSSA-N 1 0 391.287 1.738 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903529703 659330855 /nfs/dbraw/zinc/33/08/55/659330855.db2.gz RRZJGJKDXMAXDP-ZYHUDNBSSA-N 1 0 393.303 1.361 20 0 GDADRO [NH3+][C@H]1CN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC[C@@H]1C(F)(F)F ZINC000903542265 659334831 /nfs/dbraw/zinc/33/48/31/659334831.db2.gz RJRKAPULSOUQOP-GJZGRUSLSA-N 1 0 377.432 1.839 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C[C@H]1CC[NH3+] ZINC000903556213 659340268 /nfs/dbraw/zinc/34/02/68/659340268.db2.gz RETALUJWRMCJDX-ZYHUDNBSSA-N 1 0 389.315 1.989 20 0 GDADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000903565226 659342683 /nfs/dbraw/zinc/34/26/83/659342683.db2.gz HAOIXSJJWALNPP-UHFFFAOYSA-N 1 0 394.310 1.598 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000903566104 659343519 /nfs/dbraw/zinc/34/35/19/659343519.db2.gz IEVPOLCXKOSYNF-UHFFFAOYSA-N 1 0 376.320 1.292 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000903568169 659343952 /nfs/dbraw/zinc/34/39/52/659343952.db2.gz JMPBRMOEASLNMH-UHFFFAOYSA-N 1 0 396.738 1.804 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC[C@@H]1C(F)(F)F ZINC000903578275 659349169 /nfs/dbraw/zinc/34/91/69/659349169.db2.gz FBCGMRAZDQKXGK-DTWKUNHWSA-N 1 0 382.795 1.888 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cncc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000903579273 659350191 /nfs/dbraw/zinc/35/01/91/659350191.db2.gz MWWQRWVMEOHABL-VHSXEESVSA-N 1 0 388.209 1.744 20 0 GDADRO Cc1c(C(=O)N(C)C)occ1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903579505 659350199 /nfs/dbraw/zinc/35/01/99/659350199.db2.gz OFAZOWBOWTVOPP-VHSXEESVSA-N 1 0 383.392 1.190 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1OC ZINC000903580001 659350887 /nfs/dbraw/zinc/35/08/87/659350887.db2.gz ROUTUYCXUUHWCF-SCZZXKLOSA-N 1 0 386.367 1.743 20 0 GDADRO CNC(=O)c1ccc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903580676 659351405 /nfs/dbraw/zinc/35/14/05/659351405.db2.gz XLJGGHCFXKAGLE-OLZOCXBDSA-N 1 0 379.404 1.088 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1Br ZINC000903581209 659351833 /nfs/dbraw/zinc/35/18/33/659351833.db2.gz BKKLTVTWMRCTFP-RNFRBKRXSA-N 1 0 391.213 1.083 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2nc[nH]c2Br)CC[C@H]1C(F)(F)F ZINC000903581253 659351946 /nfs/dbraw/zinc/35/19/46/659351946.db2.gz CTEWPGCZNXCFLR-RITPCOANSA-N 1 0 377.186 1.072 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000903585943 659354211 /nfs/dbraw/zinc/35/42/11/659354211.db2.gz ALGJSUJGPIEGPF-ZIAGYGMSSA-N 1 0 390.303 1.299 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903589038 659355332 /nfs/dbraw/zinc/35/53/32/659355332.db2.gz MLRCTVSXDJQKDY-IINYFYTJSA-N 1 0 375.288 1.960 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000903590083 659355857 /nfs/dbraw/zinc/35/58/57/659355857.db2.gz MEBVDFIXTKRGJW-UHFFFAOYSA-N 1 0 393.303 1.854 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c(Br)c1 ZINC000903589575 659356010 /nfs/dbraw/zinc/35/60/10/659356010.db2.gz PNJGZWLZAYHQIS-HZMBPMFUSA-N 1 0 375.288 1.960 20 0 GDADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903589217 659356029 /nfs/dbraw/zinc/35/60/29/659356029.db2.gz VLWWOLZQNJGAHJ-BSNNYGBQSA-N 1 0 377.507 1.904 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CCC[C@]12CC[NH2+]C2 ZINC000903597193 659357945 /nfs/dbraw/zinc/35/79/45/659357945.db2.gz UYQAFWSOYVLGJN-CYBMUJFWSA-N 1 0 392.262 1.808 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903736893 659378379 /nfs/dbraw/zinc/37/83/79/659378379.db2.gz HRGFDMYWTVBBCS-AWEZNQCLSA-N 1 0 382.302 1.646 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000903756109 659378999 /nfs/dbraw/zinc/37/89/99/659378999.db2.gz IKRJNABIENVWRC-AWEZNQCLSA-N 1 0 398.301 1.612 20 0 GDADRO Ic1cnn2c1CN(C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903788790 659380465 /nfs/dbraw/zinc/38/04/65/659380465.db2.gz QJEWKYMNTMIXGN-RISCZKNCSA-N 1 0 388.253 1.072 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903799166 659381226 /nfs/dbraw/zinc/38/12/26/659381226.db2.gz DFNWKGLCPQJMKC-KBPBESRZSA-N 1 0 381.274 1.328 20 0 GDADRO Cc1cc(Cl)ccc1Cc1noc(C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@H]32)n1 ZINC000904111397 659395624 /nfs/dbraw/zinc/39/56/24/659395624.db2.gz CGDXSLRGRNHDAE-SNPRPXQTSA-N 1 0 381.885 1.797 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000904406225 659400270 /nfs/dbraw/zinc/40/02/70/659400270.db2.gz UYLFJWOQRRYPEF-NSHDSACASA-N 1 0 388.262 1.918 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000904459250 659402076 /nfs/dbraw/zinc/40/20/76/659402076.db2.gz PUJYJAPQVLROLM-GFCCVEGCSA-N 1 0 395.261 1.482 20 0 GDADRO Cc1csc([C@@](O)(CC(=O)N[C@H](CC[NH3+])C(F)(F)F)C(F)(F)F)n1 ZINC000904928832 659414253 /nfs/dbraw/zinc/41/42/53/659414253.db2.gz SWMQJSQKPMFASO-XCBNKYQSSA-N 1 0 379.326 1.987 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905006754 659416830 /nfs/dbraw/zinc/41/68/30/659416830.db2.gz FBSJDKSDORBTKG-XHDPSFHLSA-N 1 0 386.315 1.809 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905010264 659417073 /nfs/dbraw/zinc/41/70/73/659417073.db2.gz VKEKENORGBVBOX-QGZVFWFLSA-N 1 0 380.286 1.762 20 0 GDADRO O[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1(O)CCOCC1 ZINC000905067407 659420210 /nfs/dbraw/zinc/42/02/10/659420210.db2.gz ZNXBUEWMJUSMAP-CQSZACIVSA-N 1 0 388.258 1.212 20 0 GDADRO O[C@H](C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)C[C@@]1(O)CCOC1 ZINC000905068312 659420307 /nfs/dbraw/zinc/42/03/07/659420307.db2.gz NIJOUVSFKZQMOD-JLSDUUJJSA-N 1 0 399.329 1.767 20 0 GDADRO O[C@@H](C[NH2+]CCc1ccc(I)s1)C[C@]1(O)CCOC1 ZINC000905085634 659421864 /nfs/dbraw/zinc/42/18/64/659421864.db2.gz XOOQWBMBTNEWRW-ZWNOBZJWSA-N 1 0 397.278 1.387 20 0 GDADRO CCc1cnc(CC[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000905138159 659426126 /nfs/dbraw/zinc/42/61/26/659426126.db2.gz WTWUDBMHLZQKRD-CQSZACIVSA-N 1 0 389.587 1.839 20 0 GDADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]C[C@H]2CSCCS2)CC1 ZINC000905158397 659427574 /nfs/dbraw/zinc/42/75/74/659427574.db2.gz FXQGELUECKEYPZ-GWUWNPHMSA-N 1 0 377.572 1.660 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)s1 ZINC000905173328 659429244 /nfs/dbraw/zinc/42/92/44/659429244.db2.gz BQCPTNCZLFBAFJ-HOTGVXAUSA-N 1 0 384.523 1.409 20 0 GDADRO O=C1[C@H]([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000905200677 659432019 /nfs/dbraw/zinc/43/20/19/659432019.db2.gz HLCZGTVUCJTTDY-SRCQZFHVSA-N 1 0 389.279 1.591 20 0 GDADRO C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC000905208745 659433421 /nfs/dbraw/zinc/43/34/21/659433421.db2.gz MQHWQRXIGCVUCS-OAGGEKHMSA-N 1 0 376.563 1.783 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905212054 659433640 /nfs/dbraw/zinc/43/36/40/659433640.db2.gz ICHFPNNAUNYKSZ-LLVKDONJSA-N 1 0 382.395 1.586 20 0 GDADRO O=c1ccc(Br)cn1CC[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905272286 659438831 /nfs/dbraw/zinc/43/88/31/659438831.db2.gz GNJLXLDXYBLTEB-HZPDHXFCSA-N 1 0 381.270 1.685 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1Br ZINC000905356295 659446644 /nfs/dbraw/zinc/44/66/44/659446644.db2.gz MRUSOYDBKRNOHE-GFCCVEGCSA-N 1 0 391.335 1.581 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+]C2(C)C)c1OC ZINC000905360055 659447008 /nfs/dbraw/zinc/44/70/08/659447008.db2.gz VNEWETPINGATHX-LBPRGKRZSA-N 1 0 375.878 1.127 20 0 GDADRO OC[C@@H](C[NH2+]C[C@H](O)C1(O)CCC1)Cc1ccc(F)c(Br)c1 ZINC000905373914 659449054 /nfs/dbraw/zinc/44/90/54/659449054.db2.gz RXILCDVASCQZAP-DOMZBBRYSA-N 1 0 376.266 1.605 20 0 GDADRO C[C@](O)(C[NH2+]Cc1ccc(F)c(S(N)(=O)=O)c1)C(F)(F)C(F)(F)F ZINC000905380339 659450113 /nfs/dbraw/zinc/45/01/13/659450113.db2.gz FILMLUKSVHNBJP-JTQLQIEISA-N 1 0 380.310 1.511 20 0 GDADRO O=C1NCCN1CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000905480004 659457892 /nfs/dbraw/zinc/45/78/92/659457892.db2.gz BXPZPCKKCDBABX-NSHDSACASA-N 1 0 392.681 1.457 20 0 GDADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000905509290 659460574 /nfs/dbraw/zinc/46/05/74/659460574.db2.gz PGGHWELGZSZHKN-ZIAGYGMSSA-N 1 0 376.519 1.019 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@@H](O)c2cccc(Br)c2)CCS(=O)(=O)C1 ZINC000905557927 659464902 /nfs/dbraw/zinc/46/49/02/659464902.db2.gz RLXDPSSMNLMTNF-ZIAGYGMSSA-N 1 0 378.288 1.276 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H]2CCCN2CC(F)(F)F)cc1 ZINC000905565952 659465689 /nfs/dbraw/zinc/46/56/89/659465689.db2.gz UGJVMVWIICBAEA-UKRRQHHQSA-N 1 0 380.432 1.740 20 0 GDADRO O=C1C[C@@H](CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CN1 ZINC000905584757 659467189 /nfs/dbraw/zinc/46/71/89/659467189.db2.gz HGMSAYCNADHXLW-LLVKDONJSA-N 1 0 375.288 1.339 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)COCc1ccccc1Cl)N1CCCC1 ZINC000905663802 659472622 /nfs/dbraw/zinc/47/26/22/659472622.db2.gz HGQVSOPFUBDXIU-HNNXBMFYSA-N 1 0 376.906 1.233 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000905668738 659473708 /nfs/dbraw/zinc/47/37/08/659473708.db2.gz XGGWTKJWHKVOIV-QLFBSQMISA-N 1 0 386.539 1.489 20 0 GDADRO CCCCCC[C@H](O)C[NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000905709684 659478486 /nfs/dbraw/zinc/47/84/86/659478486.db2.gz OOHFBXIEARKHRE-NDUQDZPOSA-N 1 0 375.531 1.806 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000906061146 659515465 /nfs/dbraw/zinc/51/54/65/659515465.db2.gz FIXLTUIWQBHVQN-XMMPIXPASA-N 1 0 388.559 1.991 20 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/nfs/dbraw/zinc/57/30/52/659573052.db2.gz TWYPTVMJXWNDRE-UHFFFAOYSA-N 1 0 398.301 1.786 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000906705938 659573959 /nfs/dbraw/zinc/57/39/59/659573959.db2.gz OKFBAZNHQCRORR-LBPRGKRZSA-N 1 0 398.257 1.288 20 0 GDADRO C[C@@H](NC(=O)c1cc(Br)cn(C2CC2)c1=O)[C@@H]1C[N@H+](C)CCN1C ZINC000906783070 659587621 /nfs/dbraw/zinc/58/76/21/659587621.db2.gz XGZXOLAUYZFGLB-ABAIWWIYSA-N 1 0 397.317 1.310 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000906784165 659587659 /nfs/dbraw/zinc/58/76/59/659587659.db2.gz XHXCEVSJJXCCFJ-SNVBAGLBSA-N 1 0 388.237 1.282 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000906784147 659587684 /nfs/dbraw/zinc/58/76/84/659587684.db2.gz WZLMMZNLUSSQJG-SNVBAGLBSA-N 1 0 377.775 1.327 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cn(C)nc1I ZINC000906793445 659589403 /nfs/dbraw/zinc/58/94/03/659589403.db2.gz REKFNNWJPSVVOT-ONGXEEELSA-N 1 0 376.242 1.437 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(F)(F)c1ncccc1Br ZINC000907069614 659658094 /nfs/dbraw/zinc/65/80/94/659658094.db2.gz XIIKANKAKFRPJM-LLVKDONJSA-N 1 0 392.244 1.899 20 0 GDADRO COC(=O)CCN1CCN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)[C@H](C)C1 ZINC000907219234 659700994 /nfs/dbraw/zinc/70/09/94/659700994.db2.gz OLNLNHSDPKFIJJ-ZJUUUORDSA-N 1 0 375.680 1.203 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000907292647 659721105 /nfs/dbraw/zinc/72/11/05/659721105.db2.gz SVOFVLDTYKJQGF-DOTOQJQBSA-N 1 0 385.302 1.836 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)nc12 ZINC000907354974 659735040 /nfs/dbraw/zinc/73/50/40/659735040.db2.gz NPWKLVCRXVBFDE-RHSMWYFYSA-N 1 0 395.301 1.519 20 0 GDADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1c[nH]c2ncc(Cl)cc12 ZINC000907430510 659751550 /nfs/dbraw/zinc/75/15/50/659751550.db2.gz YSLRKJQAOQRBCU-CYBMUJFWSA-N 1 0 384.889 1.748 20 0 GDADRO CC(C)[NH+]1CCN(CCCC(=O)N2CCn3c(Br)cnc3C2)CC1 ZINC000907744261 659821157 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384.484 1.043 20 0 GDADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc(-c2cc3c([nH]2)CCNC3=O)ccn1 ZINC001164927272 721861325 /nfs/dbraw/zinc/86/13/25/721861325.db2.gz KHRWTHBGUNNAPO-UXHICEINSA-N 1 0 394.523 1.577 20 0 GDADRO Cn1ccc(CN2CCOCC23CCN(c2cc(-n4ccnc4)cc[nH+]2)CC3)n1 ZINC001164935361 721909094 /nfs/dbraw/zinc/90/90/94/721909094.db2.gz FVZFYSOAPVBOOI-UHFFFAOYSA-N 1 0 393.495 1.872 20 0 GDADRO CS(=O)(=O)N1C[C@@H]2CCCN(c3cccc(OCC[NH+]4CCCC4)n3)[C@@H]2C1 ZINC001164948234 721984793 /nfs/dbraw/zinc/98/47/93/721984793.db2.gz KEEDFPLWQORWIH-DLBZAZTESA-N 1 0 394.541 1.416 20 0 GDADRO C[NH+]1CCN(c2cccc(N3C[C@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)n2)CC1 ZINC001164958111 722047692 /nfs/dbraw/zinc/04/76/92/722047692.db2.gz LMTVXHNIKPTNCO-IAGOWNOFSA-N 1 0 381.480 1.777 20 0 GDADRO COC(=O)c1nccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958720 722053502 /nfs/dbraw/zinc/05/35/02/722053502.db2.gz FUNMFNMLXZVPDC-UHFFFAOYSA-N 1 0 397.479 1.777 20 0 GDADRO Cc1nc(N(C)C)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 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CC[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@H](CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)O1 ZINC001571264680 945489387 /nfs/dbraw/zinc/48/93/87/945489387.db2.gz UAEHXTLSLGZBFN-WSMBLCCSSA-N 1 0 385.472 1.256 20 0 GDADRO COC1CCC(C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001571264708 945490004 /nfs/dbraw/zinc/49/00/04/945490004.db2.gz UVHYWYVCHNIPKN-SHARSMKWSA-N 1 0 385.472 1.292 20 0 GDADRO O=C([C@@H]1CC12CC2)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571269041 945611262 /nfs/dbraw/zinc/61/12/62/945611262.db2.gz NAXXYEOISNFJGT-HIFRSBDPSA-N 1 0 386.431 1.123 20 0 GDADRO CC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1[NH2+]Cc1cncs1 ZINC001571271380 945643180 /nfs/dbraw/zinc/64/31/80/945643180.db2.gz BCRKHUNDWXJDHX-FZMZJTMJSA-N 1 0 386.485 1.682 20 0 GDADRO Cc1cc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C)sn1 ZINC001571271687 945648134 /nfs/dbraw/zinc/64/81/34/945648134.db2.gz HESWZFLBJCZIBK-YGRLFVJLSA-N 1 0 386.485 1.600 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)cs1 ZINC001571271802 945649791 /nfs/dbraw/zinc/64/97/91/945649791.db2.gz JYUUIPZWERDEIQ-ZWNOBZJWSA-N 1 0 386.485 1.600 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@@H+]1CCc1ccns1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571271834 945651665 /nfs/dbraw/zinc/65/16/65/945651665.db2.gz KTLTXFWANMTLLT-ZDUSSCGKSA-N 1 0 386.485 1.478 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571272737 945669697 /nfs/dbraw/zinc/66/96/97/945669697.db2.gz ZDDICJVIVXNVJT-HAQNSBGRSA-N 1 0 386.485 1.791 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001571276028 945722109 /nfs/dbraw/zinc/72/21/09/945722109.db2.gz COPJRVOMHHSLMY-ZDUSSCGKSA-N 1 0 387.394 1.867 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)cc1-c1nn[nH]n1 ZINC001571279399 945777518 /nfs/dbraw/zinc/77/75/18/945777518.db2.gz WIXJTHFVKIYLKN-RHSMWYFYSA-N 1 0 386.456 1.135 20 0 GDADRO C[C@H]([NH2+]CC1CCOCC1)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571281051 945794682 /nfs/dbraw/zinc/79/46/82/945794682.db2.gz BJZWWDWAQBDNFL-GUYCJALGSA-N 1 0 387.488 1.594 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cocn2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571281671 945810939 /nfs/dbraw/zinc/81/09/39/945810939.db2.gz LFHHDSDPRQWGJD-DGCLKSJQSA-N 1 0 387.469 1.947 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281889 945819299 /nfs/dbraw/zinc/81/92/99/945819299.db2.gz BMWZPBZMPXCLCP-WBVHZDCISA-N 1 0 387.463 1.181 20 0 GDADRO C[C@H]([NH2+]Cc1nncs1)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571281887 945820723 /nfs/dbraw/zinc/82/07/23/945820723.db2.gz PJPARBOCAHBLCM-WDEREUQCSA-N 1 0 387.473 1.077 20 0 GDADRO CCC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CC1 ZINC001571282305 945837872 /nfs/dbraw/zinc/83/78/72/945837872.db2.gz GQTJTLWRZGGVAB-HNNXBMFYSA-N 1 0 387.463 1.134 20 0 GDADRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1Nc1cccc(F)c1-c1nn[nH]n1 ZINC001571282391 945840659 /nfs/dbraw/zinc/84/06/59/945840659.db2.gz XGNZYOZLPAQKJW-IUODEOHRSA-N 1 0 387.463 1.749 20 0 GDADRO CO[C@@H](C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)C1CCCC1 ZINC001571283163 945881345 /nfs/dbraw/zinc/88/13/45/945881345.db2.gz AMMVHDPIYHVJON-PBHICJAKSA-N 1 0 387.488 1.594 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[N@@H+]1CCC[C@@H]1CCOC1 ZINC001571285177 945910515 /nfs/dbraw/zinc/91/05/15/945910515.db2.gz YZGODTRSHYRXQC-JKIFEVAISA-N 1 0 387.488 1.594 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)[C@@H]1CC[C@@H](F)C1 ZINC001571286321 945945632 /nfs/dbraw/zinc/94/56/32/945945632.db2.gz DOYKTTAPVIKLNS-BOGLJMFRSA-N 1 0 388.422 1.690 20 0 GDADRO O=C(C1CCCC1)N1CCO[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287242 945970552 /nfs/dbraw/zinc/97/05/52/945970552.db2.gz BMSABVRRKVOZBF-INIZCTEOSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(c1cnns1)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571287629 945975491 /nfs/dbraw/zinc/97/54/91/945975491.db2.gz GKLDHIRJSZSXTL-GFCCVEGCSA-N 1 0 388.432 1.252 20 0 GDADRO C[C@@H]1CO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571288322 945985839 /nfs/dbraw/zinc/98/58/39/945985839.db2.gz OCLIUDHIKTVLDT-VGWHQZGPSA-N 1 0 388.447 1.415 20 0 GDADRO CN(C(=O)[C@]1(C)CCOC1)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571288461 945988902 /nfs/dbraw/zinc/98/89/02/945988902.db2.gz PBFODTJMSFZOGO-JFIBYHEFSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H]1CO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001571288915 945993330 /nfs/dbraw/zinc/99/33/30/945993330.db2.gz ULTQZAZRLVFUBM-GDLHICMESA-N 1 0 388.447 1.415 20 0 GDADRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOCC1 ZINC001571289305 946002210 /nfs/dbraw/zinc/00/22/10/946002210.db2.gz ZJDWGPROJVHTQV-SHTZXODSSA-N 1 0 388.447 1.559 20 0 GDADRO 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Cn1cc(-c2nn[nH]n2)c(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000822613696 946137600 /nfs/dbraw/zinc/13/76/00/946137600.db2.gz FUNUTWVGQQLNCW-UHFFFAOYSA-N 1 0 395.471 1.634 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)[NH+](C)C ZINC001571294938 946151106 /nfs/dbraw/zinc/15/11/06/946151106.db2.gz MQERFEJPFOQJAU-QGZVFWFLSA-N 1 0 389.479 1.236 20 0 GDADRO CC(C)(O)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC001571297991 946203223 /nfs/dbraw/zinc/20/32/23/946203223.db2.gz GMDKPVYJZFZQIB-HNNXBMFYSA-N 1 0 390.463 1.493 20 0 GDADRO Cc1nsc(N(C)[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571298525 946218110 /nfs/dbraw/zinc/21/81/10/946218110.db2.gz AHMMVMYLQFXXSL-OLZOCXBDSA-N 1 0 390.517 1.153 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)C3(c4cccnc4)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571299002 946234606 /nfs/dbraw/zinc/23/46/06/946234606.db2.gz NCVMKOUCHMUTBC-OAHLLOKOSA-N 1 0 390.451 1.392 20 0 GDADRO C[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)[C@H]1CCCO1 ZINC001571299864 946265267 /nfs/dbraw/zinc/26/52/67/946265267.db2.gz PSNVMFIEVSXOEM-IUODEOHRSA-N 1 0 390.513 1.824 20 0 GDADRO CCOC1CC(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571299928 946266289 /nfs/dbraw/zinc/26/62/89/946266289.db2.gz RGWREHKNFBRFOK-AEBJDNRDSA-N 1 0 390.513 1.870 20 0 GDADRO C[C@](O)(CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001571300105 946272482 /nfs/dbraw/zinc/27/24/82/946272482.db2.gz UXSUZGSLKFNGGE-XIKOKIGWSA-N 1 0 390.513 1.417 20 0 GDADRO Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1-c1nn[nH]n1 ZINC001571300255 946277111 /nfs/dbraw/zinc/27/71/11/946277111.db2.gz XWUMFLUXHSSTAU-STQMWFEESA-N 1 0 390.517 1.376 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCO1 ZINC001571300268 946278615 /nfs/dbraw/zinc/27/86/15/946278615.db2.gz YGRCCEMDPIOXSD-AAVRWANBSA-N 1 0 390.513 1.728 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000823211152 946346986 /nfs/dbraw/zinc/34/69/86/946346986.db2.gz MLGLNQIEUVGJKG-INIZCTEOSA-N 1 0 385.472 1.515 20 0 GDADRO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC2(CCOCC2)C1 ZINC001573498128 946357356 /nfs/dbraw/zinc/35/73/56/946357356.db2.gz XQGRPPZKMUGUKH-ZDUSSCGKSA-N 1 0 376.486 1.435 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCN1C(=O)Cc1cccnc1 ZINC001571305706 946373454 /nfs/dbraw/zinc/37/34/54/946373454.db2.gz ANPZQYBQSRSVTJ-LJQANCHMSA-N 1 0 391.479 1.927 20 0 GDADRO CN(C)c1cccc(C(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571305774 946375403 /nfs/dbraw/zinc/37/54/03/946375403.db2.gz CICFGKXEBSESBC-UHFFFAOYSA-N 1 0 391.479 1.795 20 0 GDADRO C[C@@H](NC(=O)c1csc(=O)[nH]1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571306345 946397566 /nfs/dbraw/zinc/39/75/66/946397566.db2.gz TWLTVWMRRKDUFJ-MRVPVSSYSA-N 1 0 391.482 1.341 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC001571308047 946428709 /nfs/dbraw/zinc/42/87/09/946428709.db2.gz KQGPPZXXBFWPDV-UONOGXRCSA-N 1 0 392.410 1.563 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571308546 946433918 /nfs/dbraw/zinc/43/39/18/946433918.db2.gz QPLMIPHFQOBQOV-SCLBCKFNSA-N 1 0 392.410 1.167 20 0 GDADRO CCn1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)n1 ZINC001571312720 946500665 /nfs/dbraw/zinc/50/06/65/946500665.db2.gz BPEYBZFOWVAORO-CRAIPNDOSA-N 1 0 392.467 1.430 20 0 GDADRO C[C@H]1CN(C(=O)c2cncnc2)CC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571313726 946529852 /nfs/dbraw/zinc/52/98/52/946529852.db2.gz UTHYSAYDGYZSII-YOEHRIQHSA-N 1 0 392.467 1.545 20 0 GDADRO CC(=O)N1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823981944 946532429 /nfs/dbraw/zinc/53/24/29/946532429.db2.gz TVKWZEODUNOMQD-UHFFFAOYSA-N 1 0 380.456 1.321 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)nn1 ZINC001571315880 946561619 /nfs/dbraw/zinc/56/16/19/946561619.db2.gz QPEZVUDAADJKFI-KRWDZBQOSA-N 1 0 392.467 1.620 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571316173 946568622 /nfs/dbraw/zinc/56/86/22/946568622.db2.gz VKJDOYHUUGDSPA-XLIONFOSSA-N 1 0 392.467 1.825 20 0 GDADRO Cc1cc(N[C@H]2CCC[C@H](NC(=O)Cc3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316291 946571473 /nfs/dbraw/zinc/57/14/73/946571473.db2.gz YNMLPDDFJQDQKO-HOTGVXAUSA-N 1 0 392.467 1.469 20 0 GDADRO Cc1cnc(C(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1C ZINC001571316744 946586915 /nfs/dbraw/zinc/58/69/15/946586915.db2.gz LJNZYEUVPIUHFH-HNNXBMFYSA-N 1 0 392.467 1.660 20 0 GDADRO O=C(Cc1ncc[nH]1)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571317073 946599397 /nfs/dbraw/zinc/59/93/97/946599397.db2.gz UWCWQJQVQJESII-DLBZAZTESA-N 1 0 392.467 1.398 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1n[nH]c2c1CCCC2 ZINC001571317263 946604052 /nfs/dbraw/zinc/60/40/52/946604052.db2.gz ZSXRHVMYMFHISH-AWEZNQCLSA-N 1 0 392.467 1.473 20 0 GDADRO CC(C)COC[C@@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824272379 946641282 /nfs/dbraw/zinc/64/12/82/946641282.db2.gz WSAUSVNQOAQCDJ-KRWDZBQOSA-N 1 0 385.472 1.390 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000824413063 946695132 /nfs/dbraw/zinc/69/51/32/946695132.db2.gz IZYWONJAWJKJSO-OAHLLOKOSA-N 1 0 379.468 1.915 20 0 GDADRO CC(=O)N[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573536331 946732256 /nfs/dbraw/zinc/73/22/56/946732256.db2.gz SVPFOGOXODESTB-CXAGYDPISA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@](C)=O)cc1 ZINC000824565081 946805326 /nfs/dbraw/zinc/80/53/26/946805326.db2.gz YQFDJOGTRGXIMY-JWNZJDHWSA-N 1 0 384.465 1.893 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000824612213 946862708 /nfs/dbraw/zinc/86/27/08/946862708.db2.gz KUZSANNHGJQAJY-SNVBAGLBSA-N 1 0 376.417 1.504 20 0 GDADRO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2noc(C)c2-c2nn[nH]n2)c1 ZINC000825417337 947183764 /nfs/dbraw/zinc/18/37/64/947183764.db2.gz QBNVMWRJJWRFID-UHFFFAOYSA-N 1 0 383.456 1.864 20 0 GDADRO C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586360 947286600 /nfs/dbraw/zinc/28/66/00/947286600.db2.gz OXGLZXDPAKNVNT-KBPBESRZSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573592731 947348654 /nfs/dbraw/zinc/34/86/54/947348654.db2.gz FXSSXIKYZIKBOH-NVPAJSRCSA-N 1 0 380.456 1.403 20 0 GDADRO C[NH+](C)CCOc1cc(CNc2nc3ccccn3c2-c2nn[nH]n2)ccn1 ZINC000825870503 947352283 /nfs/dbraw/zinc/35/22/83/947352283.db2.gz OYEYXWADWIYXSP-UHFFFAOYSA-N 1 0 379.428 1.462 20 0 GDADRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573592894 947356168 /nfs/dbraw/zinc/35/61/68/947356168.db2.gz GLQBOESIGIDWIE-QAPCUYQASA-N 1 0 379.468 1.962 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C1CCCC1 ZINC001573593179 947363651 /nfs/dbraw/zinc/36/36/51/947363651.db2.gz REGCYPKHYRATBQ-UKRRQHHQSA-N 1 0 387.488 1.344 20 0 GDADRO C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573594715 947406105 /nfs/dbraw/zinc/40/61/05/947406105.db2.gz COFMQEDNIIRHFV-CRAIPNDOSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@@H](C(=O)N(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1ccco1 ZINC001573595015 947412424 /nfs/dbraw/zinc/41/24/24/947412424.db2.gz WKCHBQYFVUVBAS-WBMJQRKESA-N 1 0 381.440 1.729 20 0 GDADRO C[NH2+]C(C)(C)CNC(=O)Nc1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1 ZINC000826073313 947424237 /nfs/dbraw/zinc/42/42/37/947424237.db2.gz NOQUCUXJGDTYDS-UHFFFAOYSA-N 1 0 389.851 1.825 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCC1 ZINC001573598861 947447482 /nfs/dbraw/zinc/44/74/82/947447482.db2.gz SOGBBFBHOIYPFU-WBMJQRKESA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCCO1 ZINC001573603349 947485373 /nfs/dbraw/zinc/48/53/73/947485373.db2.gz KPQNSWBIFFVZSH-SUMWQHHRSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1cnn(C)c1 ZINC001573604092 947504554 /nfs/dbraw/zinc/50/45/54/947504554.db2.gz RULMJZDIXZONSN-LBPRGKRZSA-N 1 0 386.435 1.091 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000826170032 947531904 /nfs/dbraw/zinc/53/19/04/947531904.db2.gz MSGXVFGCBTUGQA-NSHDSACASA-N 1 0 388.453 1.374 20 0 GDADRO C[C@H](C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)C(C)(C)C ZINC001573607165 947540868 /nfs/dbraw/zinc/54/08/68/947540868.db2.gz GIGYDFPQGBAGKE-KBPBESRZSA-N 1 0 389.504 1.235 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573619744 947669463 /nfs/dbraw/zinc/66/94/63/947669463.db2.gz XNKUJYUKPUSORI-KSSFIOAISA-N 1 0 377.452 1.756 20 0 GDADRO CC(=O)CCCC(=O)N(C)[C@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001573364118 947718059 /nfs/dbraw/zinc/71/80/59/947718059.db2.gz GGSXDPIWPYORES-QGZVFWFLSA-N 1 0 385.472 1.400 20 0 GDADRO C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1cccnc1 ZINC001573627482 947725568 /nfs/dbraw/zinc/72/55/68/947725568.db2.gz CFIUAAJDOYRWBU-GDBMZVCRSA-N 1 0 392.467 1.675 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259681 947750112 /nfs/dbraw/zinc/75/01/12/947750112.db2.gz ZTMUEPHXBCJZJP-HOTGVXAUSA-N 1 0 392.467 1.717 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573369557 947774705 /nfs/dbraw/zinc/77/47/05/947774705.db2.gz URFNLLZTLMYEKJ-SJKOYZFVSA-N 1 0 388.447 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573372685 947782237 /nfs/dbraw/zinc/78/22/37/947782237.db2.gz CBVVLDMMTLFQHO-HNNXBMFYSA-N 1 0 385.472 1.484 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC001573373768 947800515 /nfs/dbraw/zinc/80/05/15/947800515.db2.gz LJOOZSKGJKTQIR-KDOFPFPSSA-N 1 0 384.484 1.953 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573375029 947813895 /nfs/dbraw/zinc/81/38/95/947813895.db2.gz QICZISCMQZXKIO-OAHLLOKOSA-N 1 0 388.447 1.703 20 0 GDADRO C[C@H](C(=O)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cccn1 ZINC001573637742 947820946 /nfs/dbraw/zinc/82/09/46/947820946.db2.gz OWELBAUPUQXRFJ-OAHLLOKOSA-N 1 0 380.456 1.359 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001573641626 947857265 /nfs/dbraw/zinc/85/72/65/947857265.db2.gz MJPRNLCRSFRZGD-KDOFPFPSSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccn1 ZINC001573645926 947871539 /nfs/dbraw/zinc/87/15/39/947871539.db2.gz DASLWPXRAGXDGC-JCGIZDLHSA-N 1 0 392.467 1.357 20 0 GDADRO CC(=O)CCCC(=O)NCC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573382647 947885840 /nfs/dbraw/zinc/88/58/40/947885840.db2.gz JJINHMFUROWMRI-INIZCTEOSA-N 1 0 384.484 1.954 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573383475 947892161 /nfs/dbraw/zinc/89/21/61/947892161.db2.gz SIAMAWTZUMJRJG-AKAXFMLLSA-N 1 0 388.447 1.750 20 0 GDADRO Cc1oc(NC(=O)C[NH2+][C@H](CCO)C2CCCCC2)c(-c2nn[nH]n2)c1C ZINC000826342109 947981972 /nfs/dbraw/zinc/98/19/72/947981972.db2.gz YHMSIAAOOGUTRO-CQSZACIVSA-N 1 0 376.461 1.936 20 0 GDADRO C[C@H](C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCOCC1)C1CC1 ZINC001573656165 947985794 /nfs/dbraw/zinc/98/57/94/947985794.db2.gz COUZUYVWIVKUHJ-AWEZNQCLSA-N 1 0 384.484 1.668 20 0 GDADRO Cc1onc(CC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1-c1nn[nH]n1 ZINC000826343893 947997088 /nfs/dbraw/zinc/99/70/88/947997088.db2.gz QDJCAEIUSNLYSR-UHFFFAOYSA-N 1 0 385.428 1.422 20 0 GDADRO Cc1onc(CC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1-c1nn[nH]n1 ZINC000826344272 948005124 /nfs/dbraw/zinc/00/51/24/948005124.db2.gz CECZBHHMKHSXQU-DZGCQCFKSA-N 1 0 387.488 1.819 20 0 GDADRO C[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCOCC1)C1CC1 ZINC001573660264 948021278 /nfs/dbraw/zinc/02/12/78/948021278.db2.gz ZDHNNKDUXKRKMV-GFCCVEGCSA-N 1 0 390.513 1.729 20 0 GDADRO Cc1onc(CC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826346724 948043345 /nfs/dbraw/zinc/04/33/45/948043345.db2.gz UMTVMCVCFCRBOV-IUODEOHRSA-N 1 0 381.440 1.485 20 0 GDADRO Cc1onc(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1-c1nn[nH]n1 ZINC000826347273 948050458 /nfs/dbraw/zinc/05/04/58/948050458.db2.gz LKOGTDAHABKSMB-AWEZNQCLSA-N 1 0 385.428 1.642 20 0 GDADRO C[C@@H](C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)[C@H]1CCCO1 ZINC001573664720 948059866 /nfs/dbraw/zinc/05/98/66/948059866.db2.gz XTJZSUBMHRIXBO-CZUORRHYSA-N 1 0 385.472 1.340 20 0 GDADRO Cc1onc(CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1-c1nn[nH]n1 ZINC000826348587 948078144 /nfs/dbraw/zinc/07/81/44/948078144.db2.gz UMVHFWLLBBJBIP-UHFFFAOYSA-N 1 0 381.440 1.983 20 0 GDADRO Cn1cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360620 948123310 /nfs/dbraw/zinc/12/33/10/948123310.db2.gz RGUNWDZVCYOEHR-ZDUSSCGKSA-N 1 0 380.456 1.355 20 0 GDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)[C@H]1CCCO1 ZINC001573676185 948125129 /nfs/dbraw/zinc/12/51/29/948125129.db2.gz SJUKYBUKTHSUAE-IUODEOHRSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573676738 948129300 /nfs/dbraw/zinc/12/93/00/948129300.db2.gz UWTHZHXQNJQQSW-XJKSGUPXSA-N 1 0 380.456 1.094 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573677107 948132708 /nfs/dbraw/zinc/13/27/08/948132708.db2.gz VWGSKHXQXLROMY-GDBMZVCRSA-N 1 0 384.488 1.221 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccc1 ZINC001573679357 948159820 /nfs/dbraw/zinc/15/98/20/948159820.db2.gz IBYUHUGXIQSLPG-SWLSCSKDSA-N 1 0 385.497 1.975 20 0 GDADRO CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573432076 948185286 /nfs/dbraw/zinc/18/52/86/948185286.db2.gz CTBXQHSWUOFLHV-OCCSQVGLSA-N 1 0 386.353 1.895 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC001573690253 948223566 /nfs/dbraw/zinc/22/35/66/948223566.db2.gz BWRIUVONASPEAV-WFASDCNBSA-N 1 0 386.481 1.299 20 0 GDADRO CC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CC1 ZINC001573439236 948245077 /nfs/dbraw/zinc/24/50/77/948245077.db2.gz KAWGVWSXYVHBKH-MRXNPFEDSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1CCCCCC1 ZINC001573691940 948250728 /nfs/dbraw/zinc/25/07/28/948250728.db2.gz JZKWLAWJVJKYIA-AWEZNQCLSA-N 1 0 384.488 1.587 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573692220 948257684 /nfs/dbraw/zinc/25/76/84/948257684.db2.gz NCOGECLUIKWJOY-BXUZGUMPSA-N 1 0 378.452 1.255 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-c2nn[nH]n2)s1 ZINC000826443694 948306166 /nfs/dbraw/zinc/30/61/66/948306166.db2.gz ZKQMILLKMLTZSR-HNNXBMFYSA-N 1 0 398.492 1.815 20 0 GDADRO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccsc1 ZINC001573695692 948309074 /nfs/dbraw/zinc/30/90/74/948309074.db2.gz YMWPYIOUTJVOPO-JQWIXIFHSA-N 1 0 392.510 1.360 20 0 GDADRO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001573696175 948317879 /nfs/dbraw/zinc/31/78/79/948317879.db2.gz LSGQSGGBGQRJPB-XOBRGWDASA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573703617 948357407 /nfs/dbraw/zinc/35/74/07/948357407.db2.gz LHZNVNSTYUNHMS-UONOGXRCSA-N 1 0 381.440 1.991 20 0 GDADRO c1[nH]nc2c1C[C@@H]([NH2+]C1CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826513570 948437713 /nfs/dbraw/zinc/43/77/13/948437713.db2.gz PCDPDIHQVABZGS-SFHVURJKSA-N 1 0 378.484 1.701 20 0 GDADRO C[C@H](C(=O)NCC[NH+]1CCC(Nc2ncccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573721032 948537279 /nfs/dbraw/zinc/53/72/79/948537279.db2.gz VJAOCOJYJUBWBS-ZDUSSCGKSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)n1cccc1 ZINC001573728595 948561270 /nfs/dbraw/zinc/56/12/70/948561270.db2.gz QBWRJLCKVJJYQF-QLFBSQMISA-N 1 0 380.456 1.513 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573729997 948573417 /nfs/dbraw/zinc/57/34/17/948573417.db2.gz XOIBIYUFPAZDOP-JLJPHGGASA-N 1 0 380.456 1.309 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001573730570 948582513 /nfs/dbraw/zinc/58/25/13/948582513.db2.gz RHBZDBLQHOQNNK-QGPMSJSTSA-N 1 0 379.468 1.914 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H](C)c1cccnc1 ZINC001573732760 948608555 /nfs/dbraw/zinc/60/85/55/948608555.db2.gz XCVWECJSCXUQFJ-STQMWFEESA-N 1 0 383.431 1.799 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001573745971 948676933 /nfs/dbraw/zinc/67/69/33/948676933.db2.gz HKHLHSOTFMZLGM-FPMFFAJLSA-N 1 0 383.481 1.864 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@H]1CCCO1 ZINC001573746449 948682018 /nfs/dbraw/zinc/68/20/18/948682018.db2.gz JZWUXWQSKCNGRV-ZYIUAKIQSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(F)(F)F ZINC001573747316 948687871 /nfs/dbraw/zinc/68/78/71/948687871.db2.gz NEZQUDHYSPUTAS-INTQDDNPSA-N 1 0 386.353 1.941 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@@H]1CCCO1 ZINC001573753674 948720652 /nfs/dbraw/zinc/72/06/52/948720652.db2.gz WWICSVIMENEROP-MJFSBKNWSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573753935 948722340 /nfs/dbraw/zinc/72/23/40/948722340.db2.gz YMFULDQENAOBKI-MRVWCRGKSA-N 1 0 384.419 1.200 20 0 GDADRO CC(F)(F)C1(C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001575223957 948774171 /nfs/dbraw/zinc/77/41/71/948774171.db2.gz QKSAHYWFHWVVKK-UHFFFAOYSA-N 1 0 377.399 1.426 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574916625 948782681 /nfs/dbraw/zinc/78/26/81/948782681.db2.gz GBOCXOSXWZBLGL-CYBMUJFWSA-N 1 0 383.431 1.628 20 0 GDADRO C[C@@H](CNC(=O)CCCn1cccc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574917784 948827521 /nfs/dbraw/zinc/82/75/21/948827521.db2.gz BIWWJIUWYLPLNA-AWEZNQCLSA-N 1 0 385.447 1.882 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)F ZINC001573761285 948842320 /nfs/dbraw/zinc/84/23/20/948842320.db2.gz GCZXMURKUNLFMO-LLVKDONJSA-N 1 0 379.415 1.625 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001574684278 948865772 /nfs/dbraw/zinc/86/57/72/948865772.db2.gz CVKPWDZMNDHTFM-GFCCVEGCSA-N 1 0 390.467 1.582 20 0 GDADRO C[C@@H](CNC(=O)CCCn1cccc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574919017 948869421 /nfs/dbraw/zinc/86/94/21/948869421.db2.gz UHLLPSRKKJQSCO-AWEZNQCLSA-N 1 0 385.447 1.882 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573765195 948902832 /nfs/dbraw/zinc/90/28/32/948902832.db2.gz WEPHJDDNNREJFQ-QGZVFWFLSA-N 1 0 391.479 1.930 20 0 GDADRO CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCO1 ZINC001574088326 948917496 /nfs/dbraw/zinc/91/74/96/948917496.db2.gz AWTZSRRHZQKUKF-SZOQZIPDSA-N 1 0 385.472 1.194 20 0 GDADRO C[C@@H](CNC(=O)CCc1cscn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574921133 948918260 /nfs/dbraw/zinc/91/82/60/948918260.db2.gz SUOOSQLVTIEVDN-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO CC(C)c1ncncc1C(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574431739 948926165 /nfs/dbraw/zinc/92/61/65/948926165.db2.gz ANFGZRQRDAOUIC-ONEGZZNKSA-N 1 0 392.467 1.856 20 0 GDADRO CC(C)c1ncncc1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574432226 948927849 /nfs/dbraw/zinc/92/78/49/948927849.db2.gz FUYUEWJANQPIEB-HNNXBMFYSA-N 1 0 392.467 1.784 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574432288 948933525 /nfs/dbraw/zinc/93/35/25/948933525.db2.gz IOALESCAOWKAKR-ZDUSSCGKSA-N 1 0 380.456 1.688 20 0 GDADRO CC(C)[C@H](C(=O)N[C@@H](C)CCNc1ncc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001574686441 948936316 /nfs/dbraw/zinc/93/63/16/948936316.db2.gz JGBLBSMHVDSQJJ-SMDDNHRTSA-N 1 0 378.456 1.294 20 0 GDADRO CC(C)c1ncncc1C(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574432949 948946954 /nfs/dbraw/zinc/94/69/54/948946954.db2.gz QGHDGQUQIXNWBD-GFCCVEGCSA-N 1 0 381.444 1.430 20 0 GDADRO CC(C)(C(=O)N[C@H](CNc1ccc(-c2nn[nH]n2)nc1)C1CC1)[NH+]1CCCC1 ZINC001573772559 948962376 /nfs/dbraw/zinc/96/23/76/948962376.db2.gz UVWUJDRGONDNFE-MRXNPFEDSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@H](CNC(=O)CCn1ccnc1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574924057 948962947 /nfs/dbraw/zinc/96/29/47/948962947.db2.gz UXGMXHKLHFUCBI-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO CC(C)(C(=O)NC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+]1CCCCC1 ZINC001573773325 948979463 /nfs/dbraw/zinc/97/94/63/948979463.db2.gz KOVVCFSUGQIZMM-UHFFFAOYSA-N 1 0 383.500 1.432 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCC1 ZINC001573773318 948981054 /nfs/dbraw/zinc/98/10/54/948981054.db2.gz KLMMLOBRSSPDGE-GFCCVEGCSA-N 1 0 378.502 1.321 20 0 GDADRO CC(C)[C@H]1C[C@H](C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCO1 ZINC001574091385 949009237 /nfs/dbraw/zinc/00/92/37/949009237.db2.gz KUIORKVGLSBPBX-CZUORRHYSA-N 1 0 385.472 1.196 20 0 GDADRO CC(C)(C(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)C1CCCCC1 ZINC001573774783 949023521 /nfs/dbraw/zinc/02/35/21/949023521.db2.gz VUVWVBNANLNASR-CQSZACIVSA-N 1 0 387.488 1.179 20 0 GDADRO CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCC1 ZINC001573779444 949063394 /nfs/dbraw/zinc/06/33/94/949063394.db2.gz IDTRBEDUQNWZOS-CQSZACIVSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575249221 949094195 /nfs/dbraw/zinc/09/41/95/949094195.db2.gz XSUWXTPNYGENDM-OLZOCXBDSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574694888 949096291 /nfs/dbraw/zinc/09/62/91/949096291.db2.gz XOHATGJZTBGJCG-CYBMUJFWSA-N 1 0 380.456 1.315 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)n1cccc1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251058 949125672 /nfs/dbraw/zinc/12/56/72/949125672.db2.gz KQCICGQKSUIRHC-OLZOCXBDSA-N 1 0 385.497 1.927 20 0 GDADRO CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1)[NH+]1CCCC1 ZINC001573782823 949133685 /nfs/dbraw/zinc/13/36/85/949133685.db2.gz LDOQNWSUVBMYHO-CTYIDZIISA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)c1ocnc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574446635 949137828 /nfs/dbraw/zinc/13/78/28/949137828.db2.gz UNTBQKPAPSARFR-CQSZACIVSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001574095547 949151951 /nfs/dbraw/zinc/15/19/51/949151951.db2.gz YXRDNFCOLKYJCA-GJZGRUSLSA-N 1 0 391.501 1.145 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1c[nH]cn1 ZINC001573786971 949157857 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/nfs/dbraw/zinc/21/45/35/949214535.db2.gz RJMDNXBOSHACRG-ORAYPTAESA-N 1 0 381.440 1.123 20 0 GDADRO CC(C)c1oncc1C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574451156 949216504 /nfs/dbraw/zinc/21/65/04/949216504.db2.gz FFIGPJAJKHPWKK-GFCCVEGCSA-N 1 0 382.428 1.629 20 0 GDADRO C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575517302 949225141 /nfs/dbraw/zinc/22/51/41/949225141.db2.gz VASUUUSJDCXSJT-STQMWFEESA-N 1 0 381.444 1.188 20 0 GDADRO C[C@@H](c1cnccn1)[N@H+](C)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575517561 949232747 /nfs/dbraw/zinc/23/27/47/949232747.db2.gz WUANHUPYXMBGBP-LBPRGKRZSA-N 1 0 381.444 1.282 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574699473 949237705 /nfs/dbraw/zinc/23/77/05/949237705.db2.gz VERXZUZSAVMCRH-CHWSQXEVSA-N 1 0 390.463 1.757 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574699474 949240166 /nfs/dbraw/zinc/24/01/66/949240166.db2.gz VERXZUZSAVMCRH-OLZOCXBDSA-N 1 0 390.463 1.757 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574938167 949242561 /nfs/dbraw/zinc/24/25/61/949242561.db2.gz UCZHNSOPWMADEG-LLVKDONJSA-N 1 0 387.394 1.377 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574938674 949249172 /nfs/dbraw/zinc/24/91/72/949249172.db2.gz YYQAHGQBYBKNCB-NSHDSACASA-N 1 0 387.394 1.377 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)c1cnn(C)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574700327 949260893 /nfs/dbraw/zinc/26/08/93/949260893.db2.gz ZOUPMMHKNVDSSU-ZIAGYGMSSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@@H](Nc1ccc(-c2nn[nH]n2)cn1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575257120 949267486 /nfs/dbraw/zinc/26/74/86/949267486.db2.gz YFJFHTJKMWKNPN-KGLIPLIRSA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)n1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001574452877 949267479 /nfs/dbraw/zinc/26/74/79/949267479.db2.gz PGYKZJXERUQZRW-QGZVFWFLSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574940616 949270426 /nfs/dbraw/zinc/27/04/26/949270426.db2.gz HMOJPCGOPNWUMJ-NSHDSACASA-N 1 0 387.394 1.781 20 0 GDADRO C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575259160 949322244 /nfs/dbraw/zinc/32/22/44/949322244.db2.gz MXAGJGWUSGBNLJ-UONOGXRCSA-N 1 0 383.456 1.677 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001574457596 949327581 /nfs/dbraw/zinc/32/75/81/949327581.db2.gz KVUABJOGMMZYRM-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@H](CN(C)C(=O)C1CC(F)(F)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574703492 949331505 /nfs/dbraw/zinc/33/15/05/949331505.db2.gz CZNICYDSZYCSJY-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)n1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001574458672 949345996 /nfs/dbraw/zinc/34/59/96/949345996.db2.gz WZFOFGLGVZXGAF-LBPRGKRZSA-N 1 0 386.485 1.710 20 0 GDADRO C[C@H](CNC(=O)Cc1cccnc1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574942313 949347671 /nfs/dbraw/zinc/34/76/71/949347671.db2.gz YHQOHAMOLWXWQQ-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575533174 949410924 /nfs/dbraw/zinc/41/09/24/949410924.db2.gz DYCPPMMJHAUSCV-DJJJIMSYSA-N 1 0 388.447 1.371 20 0 GDADRO CC(C)CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCOCC1 ZINC001574116630 949428471 /nfs/dbraw/zinc/42/84/71/949428471.db2.gz BXUYFWLFVJWJOR-UHFFFAOYSA-N 1 0 378.502 1.729 20 0 GDADRO C[C@]1(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCc2ccccc21 ZINC001575536395 949472276 /nfs/dbraw/zinc/47/22/76/949472276.db2.gz IBPFFVDDXJBUJY-VFNWGFHPSA-N 1 0 389.463 1.601 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574707890 949480496 /nfs/dbraw/zinc/48/04/96/949480496.db2.gz ROJAYFOATKSUTI-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)n1nccc1C(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574469992 949485836 /nfs/dbraw/zinc/48/58/36/949485836.db2.gz JZNRVCGRTZJWPW-ARJAWSKDSA-N 1 0 380.456 1.720 20 0 GDADRO C[C@H]1CCCC[C@]1(C[NH2+]Cc1ccon1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576157537 949486765 /nfs/dbraw/zinc/48/67/65/949486765.db2.gz RHNSVZTUCOOFGU-KPZWWZAWSA-N 1 0 384.444 1.651 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCC1(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574708585 949497930 /nfs/dbraw/zinc/49/79/30/949497930.db2.gz WUKVTIQNENBCHR-MFKMUULPSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574710744 949513681 /nfs/dbraw/zinc/51/36/81/949513681.db2.gz APUDUYVVTPCANN-RDTXWAMCSA-N 1 0 392.463 1.979 20 0 GDADRO CC(C)CC(=O)NC[C@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1 ZINC001574121479 949514693 /nfs/dbraw/zinc/51/46/93/949514693.db2.gz RHRYJBVWVDDGNU-INIZCTEOSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001576159400 949516774 /nfs/dbraw/zinc/51/67/74/949516774.db2.gz XERKFNNIYMCZGS-XUWVNRHRSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575269321 949546136 /nfs/dbraw/zinc/54/61/36/949546136.db2.gz UDLADNTZGOKCKI-RYUDHWBXSA-N 1 0 390.467 1.438 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cnns1 ZINC001573810571 949572448 /nfs/dbraw/zinc/57/24/48/949572448.db2.gz ABWNNWDVFRWHAD-CQSZACIVSA-N 1 0 386.485 1.653 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001574475805 949576326 /nfs/dbraw/zinc/57/63/26/949576326.db2.gz BZFUCSHETCLANL-BLLLJJGKSA-N 1 0 390.463 1.351 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=COCCO1 ZINC001573810844 949579342 /nfs/dbraw/zinc/57/93/42/949579342.db2.gz DTZBPIGCQYCZMQ-AWEZNQCLSA-N 1 0 392.485 1.437 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573811169 949589153 /nfs/dbraw/zinc/58/91/53/949589153.db2.gz IJUNAERXPATOJH-WFASDCNBSA-N 1 0 375.477 1.356 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ccnnc1 ZINC001573811072 949591159 /nfs/dbraw/zinc/59/11/59/949591159.db2.gz HHOJIOSDFRJHTJ-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCOC1 ZINC001573811309 949596247 /nfs/dbraw/zinc/59/62/47/949596247.db2.gz JVUPVLGXGNRBSY-LRDDRELGSA-N 1 0 390.463 1.663 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574713165 949601169 /nfs/dbraw/zinc/60/11/69/949601169.db2.gz WCYHKAUHXUGLOV-SWLSCSKDSA-N 1 0 379.424 1.119 20 0 GDADRO C[C@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576167206 949604054 /nfs/dbraw/zinc/60/40/54/949604054.db2.gz PIZMBRTWJKFYNI-SUMWQHHRSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575874165 949605747 /nfs/dbraw/zinc/60/57/47/949605747.db2.gz RWLUSRQBIKGUFE-BBRMVZONSA-N 1 0 384.488 1.077 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cocn1 ZINC001573812145 949612634 /nfs/dbraw/zinc/61/26/34/949612634.db2.gz QHYWYNVHQAOWCP-OAHLLOKOSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCCO1 ZINC001573812552 949616286 /nfs/dbraw/zinc/61/62/86/949616286.db2.gz SJZIBQUNULXOPT-HZPDHXFCSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1ncc[nH]1 ZINC001573812822 949621115 /nfs/dbraw/zinc/62/11/15/949621115.db2.gz UVSRYPLEAOAHAO-OAHLLOKOSA-N 1 0 382.472 1.453 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574714136 949622315 /nfs/dbraw/zinc/62/23/15/949622315.db2.gz CJZKPOIZKUAKBP-XJKSGUPXSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575272096 949633188 /nfs/dbraw/zinc/63/31/88/949633188.db2.gz NIUKGUAILOJTAA-GHMZBOCLSA-N 1 0 380.884 1.562 20 0 GDADRO CC1(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575547890 949647476 /nfs/dbraw/zinc/64/74/76/949647476.db2.gz JOEOQKUEERQYIW-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574715328 949652439 /nfs/dbraw/zinc/65/24/39/949652439.db2.gz IQWHJGFDTLNCGJ-NWDGAFQWSA-N 1 0 376.440 1.001 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C[NH2+]Cc1nccs1 ZINC001576169001 949657500 /nfs/dbraw/zinc/65/75/00/949657500.db2.gz DKYRSVSRWODQHM-BXUZGUMPSA-N 1 0 386.485 1.682 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574958467 949676216 /nfs/dbraw/zinc/67/62/16/949676216.db2.gz KEOFBMRDSPJSMW-JEBQAFNWSA-N 1 0 394.483 1.340 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574716104 949677873 /nfs/dbraw/zinc/67/78/73/949677873.db2.gz MJWHQPFEYOOWTB-CZUORRHYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](NC(=O)CCc1ccncn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575274584 949689938 /nfs/dbraw/zinc/68/99/38/949689938.db2.gz APQPOLGQCUSUPB-CQSZACIVSA-N 1 0 392.467 1.226 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cc(Cl)no1 ZINC001573817800 949706685 /nfs/dbraw/zinc/70/66/85/949706685.db2.gz BGAGMAMCISKKJF-GFCCVEGCSA-N 1 0 390.835 1.582 20 0 GDADRO C[C@H](NC(=O)CCc1ccncc1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575276265 949713597 /nfs/dbraw/zinc/71/35/97/949713597.db2.gz HYLBLLQDSVIDQT-HNNXBMFYSA-N 1 0 391.479 1.831 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@]1(C)CCOC1 ZINC001575558000 949726698 /nfs/dbraw/zinc/72/66/98/949726698.db2.gz MEGBVLXJSYZVHR-UZLBHIALSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574961013 949735648 /nfs/dbraw/zinc/73/56/48/949735648.db2.gz ZJCNDUQTTYPPAO-DDTOSNHZSA-N 1 0 399.405 1.682 20 0 GDADRO C[C@@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCCOC1 ZINC001575558743 949742525 /nfs/dbraw/zinc/74/25/25/949742525.db2.gz RQOLYUBOFKYXRS-RDTXWAMCSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@H](NC(=O)CCOc1ccccc1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575277106 949742339 /nfs/dbraw/zinc/74/23/39/949742339.db2.gz NTWBSXFKCQJYLX-KBPBESRZSA-N 1 0 381.440 1.458 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573818742 949745680 /nfs/dbraw/zinc/74/56/80/949745680.db2.gz PDEQJSXLEIXPHJ-OUJBWJOFSA-N 1 0 379.415 1.528 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574480421 949748402 /nfs/dbraw/zinc/74/84/02/949748402.db2.gz IGYIEMYBERHLMQ-ZIAGYGMSSA-N 1 0 381.440 1.731 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C=Cc1ccc[nH]1 ZINC001573819325 949754120 /nfs/dbraw/zinc/75/41/20/949754120.db2.gz SYRQXZPOAUAHOL-WLMCBFPDSA-N 1 0 380.456 1.668 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cc2ccon2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575882203 949756624 /nfs/dbraw/zinc/75/66/24/949756624.db2.gz HSQMWKZDLYRCNW-SUMWQHHRSA-N 1 0 381.440 1.567 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576171265 949757534 /nfs/dbraw/zinc/75/75/34/949757534.db2.gz PXWXLDZQOZRFKH-WMLDXEAASA-N 1 0 386.504 1.641 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H](C)n1ccnc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574718180 949765751 /nfs/dbraw/zinc/76/57/51/949765751.db2.gz ZCXYVYZFNDHDSE-HUUCEWRRSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)c1ncc(-c2nn[nH]n2)cc1F ZINC001574964228 949771989 /nfs/dbraw/zinc/77/19/89/949771989.db2.gz SEIWADRHPOBKQV-XQQFMLRXSA-N 1 0 390.467 1.072 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574718335 949775608 /nfs/dbraw/zinc/77/56/08/949775608.db2.gz ZYKUYZMNOWKAEF-PIGZYNQJSA-N 1 0 378.502 1.416 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@@H]1CCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574718534 949788227 /nfs/dbraw/zinc/78/82/27/949788227.db2.gz YORYLUIWJRAVMQ-CJNGLKHVSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)C[C@@H](C)C[NH+]1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574138466 949791775 /nfs/dbraw/zinc/79/17/75/949791775.db2.gz CYNQHQNDPHQUOC-CYBMUJFWSA-N 1 0 375.477 1.044 20 0 GDADRO C[C@H](NC(=O)COC1CCCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575280883 949792831 /nfs/dbraw/zinc/79/28/31/949792831.db2.gz BEVYSXGDUYNTHO-AWEZNQCLSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccncc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574722666 949840461 /nfs/dbraw/zinc/84/04/61/949840461.db2.gz UZJFHZJYOBOYLN-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574966288 949842735 /nfs/dbraw/zinc/84/27/35/949842735.db2.gz WJEABLVHELDQOM-IMJJTQAJSA-N 1 0 377.452 1.652 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ccccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574723006 949850435 /nfs/dbraw/zinc/85/04/35/949850435.db2.gz ZKEHEEJHEPBNPJ-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575564160 949855840 /nfs/dbraw/zinc/85/58/40/949855840.db2.gz ODDVIUCJHFPNOH-JXFKEZNVSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574141791 949857692 /nfs/dbraw/zinc/85/76/92/949857692.db2.gz VNQDTXKAGUIDID-IFXJQAMLSA-N 1 0 389.504 1.434 20 0 GDADRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574141804 949859340 /nfs/dbraw/zinc/85/93/40/949859340.db2.gz VNQDTXKAGUIDID-LIRRHRJNSA-N 1 0 389.504 1.434 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1cncn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574724946 949885591 /nfs/dbraw/zinc/88/55/91/949885591.db2.gz MQOMPXVHULFUEZ-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cncnc2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576178425 949886412 /nfs/dbraw/zinc/88/64/12/949886412.db2.gz BFPOHJRAOHKORZ-KDOFPFPSSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576178623 949892302 /nfs/dbraw/zinc/89/23/02/949892302.db2.gz CGNBCWANEVMJPM-XHDPSFHLSA-N 1 0 384.469 1.493 20 0 GDADRO C[C@H](CN(C)C(=O)COc1ccccc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574725681 949911028 /nfs/dbraw/zinc/91/10/28/949911028.db2.gz ALPBYWMEZVCPKF-OAHLLOKOSA-N 1 0 380.452 1.882 20 0 GDADRO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1 ZINC001574146024 949934211 /nfs/dbraw/zinc/93/42/11/949934211.db2.gz VYQZTKCURLZZCF-HUUCEWRRSA-N 1 0 389.504 1.698 20 0 GDADRO C[C@@H](CN(C)C(=O)COc1ccccc1F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574727023 949948918 /nfs/dbraw/zinc/94/89/18/949948918.db2.gz NLNHZKWMZIBNKI-LBPRGKRZSA-N 1 0 385.403 1.161 20 0 GDADRO C[C@H](NC(=O)Cc1cccc(F)c1F)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575289616 949999245 /nfs/dbraw/zinc/99/92/45/949999245.db2.gz AKDIONQXRPGKDM-QWRGUYRKSA-N 1 0 387.394 1.510 20 0 GDADRO CC(C)(C)CC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573834569 950022599 /nfs/dbraw/zinc/02/25/99/950022599.db2.gz ILRZKUOOYXSPOM-FQEVSTJZSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ncccn2)[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576182057 950035604 /nfs/dbraw/zinc/03/56/04/950035604.db2.gz XRPJRWKVQPOZKL-PBHICJAKSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576182370 950047682 /nfs/dbraw/zinc/04/76/82/950047682.db2.gz ZHAOLZLTDVXRPD-NEPJUHHUSA-N 1 0 381.444 1.008 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cnn(C)c1 ZINC001574151007 950049060 /nfs/dbraw/zinc/04/90/60/950049060.db2.gz JDYFXNLDLOHIBJ-QGZVFWFLSA-N 1 0 382.472 1.535 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCO1 ZINC001574150994 950050323 /nfs/dbraw/zinc/05/03/23/950050323.db2.gz IVNRPCBLQPWKEN-DOTOQJQBSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC001576182399 950050594 /nfs/dbraw/zinc/05/05/94/950050594.db2.gz ZIUAFSCOPYRUKL-RYUDHWBXSA-N 1 0 382.465 1.405 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnon1 ZINC001574151145 950061081 /nfs/dbraw/zinc/06/10/81/950061081.db2.gz LVIKWCQOTCAQNU-SNVBAGLBSA-N 1 0 376.446 1.246 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CCCO1 ZINC001574151208 950064913 /nfs/dbraw/zinc/06/49/13/950064913.db2.gz NKOXCLQZHIMRAL-RDJZCZTQSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cn[nH]n1 ZINC001574151289 950069940 /nfs/dbraw/zinc/06/99/40/950069940.db2.gz ORIMMSLIDAXKGR-LBPRGKRZSA-N 1 0 387.423 1.058 20 0 GDADRO CC1(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCCCCC1 ZINC001575577008 950079095 /nfs/dbraw/zinc/07/90/95/950079095.db2.gz UOAWSSGWXGHBAY-QGZVFWFLSA-N 1 0 386.500 1.794 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576183445 950089356 /nfs/dbraw/zinc/08/93/56/950089356.db2.gz SARYGDUFCMLEEM-GUYCJALGSA-N 1 0 378.440 1.431 20 0 GDADRO CC(C)C[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151682 950089677 /nfs/dbraw/zinc/08/96/77/950089677.db2.gz XYGUXEALSQPETK-CABCVRRESA-N 1 0 389.504 1.744 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cc[nH]n2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576183726 950101925 /nfs/dbraw/zinc/10/19/25/950101925.db2.gz TWJYYXHWWANIQH-SUMWQHHRSA-N 1 0 380.456 1.620 20 0 GDADRO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574152496 950107057 /nfs/dbraw/zinc/10/70/57/950107057.db2.gz DOCDAUAUXFCWPC-ZBFHGGJFSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576184146 950119129 /nfs/dbraw/zinc/11/91/29/950119129.db2.gz UOOUMTDXEPKWMW-ZIAGYGMSSA-N 1 0 387.463 1.720 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574734100 950128496 /nfs/dbraw/zinc/12/84/96/950128496.db2.gz IVTFKFPNEGEZPG-LMRQPLJMSA-N 1 0 390.513 1.680 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CC1(O)CCC1 ZINC001574153489 950144704 /nfs/dbraw/zinc/14/47/04/950144704.db2.gz TXNIWERMAKLRHW-MRXNPFEDSA-N 1 0 386.500 1.792 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2ccn(C)n2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575898763 950155902 /nfs/dbraw/zinc/15/59/02/950155902.db2.gz UFDZQVXIAWOJRM-XJKSGUPXSA-N 1 0 380.456 1.383 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1=CCOCC1 ZINC001574153959 950158000 /nfs/dbraw/zinc/15/80/00/950158000.db2.gz YNTHGSJGOQRVBX-QGZVFWFLSA-N 1 0 384.484 1.834 20 0 GDADRO C[C@]1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)CCOC1 ZINC001575584230 950167013 /nfs/dbraw/zinc/16/70/13/950167013.db2.gz XBMYOSSAGOFHLJ-LJCCNALRSA-N 1 0 382.468 1.087 20 0 GDADRO CC1(C(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)CC(F)(F)C1 ZINC001575584416 950171366 /nfs/dbraw/zinc/17/13/66/950171366.db2.gz QUIJQEZEWRQQIO-UOJUARBOSA-N 1 0 389.410 1.496 20 0 GDADRO CC(C)C[C@H](CNc1cccc(F)c1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001574154611 950174570 /nfs/dbraw/zinc/17/45/70/950174570.db2.gz FJAZWOVAPAVMQG-CYBMUJFWSA-N 1 0 377.468 1.900 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1cnc[nH]1 ZINC001575899944 950185927 /nfs/dbraw/zinc/18/59/27/950185927.db2.gz BAGAXGDDYLVFPV-BZNIZROVSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC001575585184 950189754 /nfs/dbraw/zinc/18/97/54/950189754.db2.gz XCUZWLUZHXADOQ-XLIONFOSSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2ncccn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575900127 950192010 /nfs/dbraw/zinc/19/20/10/950192010.db2.gz CJCBOSRUICQLSZ-BBRMVZONSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001576191804 950215206 /nfs/dbraw/zinc/21/52/06/950215206.db2.gz IKLCSUUYDFANTJ-NWDGAFQWSA-N 1 0 392.895 1.516 20 0 GDADRO 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ZINC001574502085 950360420 /nfs/dbraw/zinc/36/04/20/950360420.db2.gz ITGHAPVAILVVIW-GHMZBOCLSA-N 1 0 383.378 1.793 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1cncnc1 ZINC001575908520 950368813 /nfs/dbraw/zinc/36/88/13/950368813.db2.gz CPGGRRVKAWHFDQ-KBXCAEBGSA-N 1 0 392.467 1.369 20 0 GDADRO CC1CC[NH+](CC(=O)N(C)CCNc2ncc(-c3nn[nH]n3)cc2F)CC1 ZINC001576196745 950369470 /nfs/dbraw/zinc/36/94/70/950369470.db2.gz GWFCKLAUDMJZMK-UHFFFAOYSA-N 1 0 376.440 1.003 20 0 GDADRO CC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOCC1 ZINC001575597877 950423913 /nfs/dbraw/zinc/42/39/13/950423913.db2.gz YPFWRUUJBBVELB-JOCQHMNTSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001576199291 950424524 /nfs/dbraw/zinc/42/45/24/950424524.db2.gz YGIWIXZLJROFGL-UONOGXRCSA-N 1 0 389.529 1.303 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575910674 950424882 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SJICUTZJRZVDQF-IUODEOHRSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H](CN(C)c1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576205095 950495974 /nfs/dbraw/zinc/49/59/74/950495974.db2.gz UANIQAKOWZUJJC-NWDGAFQWSA-N 1 0 392.895 1.198 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575607056 950498294 /nfs/dbraw/zinc/49/82/94/950498294.db2.gz FWRKDKUVIPIFMZ-NJSLBKSFSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575607057 950499831 /nfs/dbraw/zinc/49/98/31/950499831.db2.gz FWRKDKUVIPIFMZ-PJIJBLCYSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccc1F ZINC001575914728 950501537 /nfs/dbraw/zinc/50/15/37/950501537.db2.gz VUBSWYALGAUBHQ-MLGOLLRUSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001576205474 950518684 /nfs/dbraw/zinc/51/86/84/950518684.db2.gz JRTVYDBAUOTVMT-CQSZACIVSA-N 1 0 389.479 1.679 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001573867161 950523259 /nfs/dbraw/zinc/52/32/59/950523259.db2.gz RDYWQTXHOSIELP-UHFFFAOYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001576205672 950534616 /nfs/dbraw/zinc/53/46/16/950534616.db2.gz MIQIZFIJQKLYLE-NWDGAFQWSA-N 1 0 392.895 1.564 20 0 GDADRO CC(C)c1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n(C)n1 ZINC001574997000 950536923 /nfs/dbraw/zinc/53/69/23/950536923.db2.gz PONVPHQHRQWRRV-NSHDSACASA-N 1 0 388.501 1.693 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001574753917 950549056 /nfs/dbraw/zinc/54/90/56/950549056.db2.gz HTQLJZRVSJWESO-BZNIZROVSA-N 1 0 387.419 1.118 20 0 GDADRO CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575615639 950571148 /nfs/dbraw/zinc/57/11/48/950571148.db2.gz FAQKPVDRNGVJBP-CQSZACIVSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)no1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574999268 950574092 /nfs/dbraw/zinc/57/40/92/950574092.db2.gz ICBKPSHFUCUFEK-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574999465 950580542 /nfs/dbraw/zinc/58/05/42/950580542.db2.gz KLGSFZZXBXFWGS-LBPRGKRZSA-N 1 0 380.456 1.718 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573870582 950599670 /nfs/dbraw/zinc/59/96/70/950599670.db2.gz JFCKMEAZDJRVRN-JNSHFYNHSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001573871005 950610540 /nfs/dbraw/zinc/61/05/40/950610540.db2.gz LQRFBFJYKRKIRZ-INIZCTEOSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)cn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575000710 950611321 /nfs/dbraw/zinc/61/13/21/950611321.db2.gz RVHDTPXPAONUHU-SNVBAGLBSA-N 1 0 391.838 1.906 20 0 GDADRO CC(C)(C)OCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001573871343 950616055 /nfs/dbraw/zinc/61/60/55/950616055.db2.gz OHIHAPRTNOKRFN-UHFFFAOYSA-N 1 0 376.436 1.559 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)C1 ZINC001576208680 950618490 /nfs/dbraw/zinc/61/84/90/950618490.db2.gz SHABQDCJQTZFLI-IHRRRGAJSA-N 1 0 387.463 1.654 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1ccnc1 ZINC001574515145 950624317 /nfs/dbraw/zinc/62/43/17/950624317.db2.gz AHFCVIGSDGFQCT-RRQGHBQHSA-N 1 0 380.456 1.451 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575001495 950631786 /nfs/dbraw/zinc/63/17/86/950631786.db2.gz LQVFHIFQASFNPO-ZDUSSCGKSA-N 1 0 379.468 1.982 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575001577 950637283 /nfs/dbraw/zinc/63/72/83/950637283.db2.gz VYNUTDVWXSFRSC-SNVBAGLBSA-N 1 0 390.398 1.446 20 0 GDADRO CC(C)CCC(=O)NC1(CO)CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574175119 950652464 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C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1ccc(-c2nn[nH]n2)nc1 ZINC001576227900 950923679 /nfs/dbraw/zinc/92/36/79/950923679.db2.gz FJLQGYZTIGXLRS-ZFWWWQNUSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1n[nH]cc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574528128 950926455 /nfs/dbraw/zinc/92/64/55/950926455.db2.gz LLRTUMBWOFGXNJ-BDAKNGLRSA-N 1 0 378.437 1.477 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cccnn1 ZINC001574528670 950938485 /nfs/dbraw/zinc/93/84/85/950938485.db2.gz NYBNBBLJAOAWPI-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@H+](C)C1CCC1 ZINC001574771831 950943778 /nfs/dbraw/zinc/94/37/78/950943778.db2.gz KYXPMUNCWJNHMZ-CYBMUJFWSA-N 1 0 389.479 1.427 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1CC(F)(F)C1 ZINC001574771918 950947454 /nfs/dbraw/zinc/94/74/54/950947454.db2.gz MVAHXDZNKJAVQS-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO CC(C)(CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573897320 950962065 /nfs/dbraw/zinc/96/20/65/950962065.db2.gz OJEDVAKCJDYANQ-CQSZACIVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCOC1 ZINC001574772382 950967647 /nfs/dbraw/zinc/96/76/47/950967647.db2.gz SFUXCKWSVLYMFF-OLZOCXBDSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)O2 ZINC001574195022 950971453 /nfs/dbraw/zinc/97/14/53/950971453.db2.gz GESVIAMUZDAKIF-OAHLLOKOSA-N 1 0 387.488 1.594 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@]1(F)CCOC1 ZINC001574772665 950973848 /nfs/dbraw/zinc/97/38/48/950973848.db2.gz TZTQFOVCDQIWOX-GTNSWQLSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cccnn1 ZINC001574530206 950974856 /nfs/dbraw/zinc/97/48/56/950974856.db2.gz TZYKRPUSTBIGGX-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ccncn1 ZINC001574530218 950976239 /nfs/dbraw/zinc/97/62/39/950976239.db2.gz UEQIXBKUNSXHAT-NWDGAFQWSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc2n(n1)CCC2)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574530683 950991297 /nfs/dbraw/zinc/99/12/97/950991297.db2.gz DIXYKPNTSZYEME-NWDGAFQWSA-N 1 0 383.460 1.024 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccncc1Cl)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574530706 950991681 /nfs/dbraw/zinc/99/16/81/950991681.db2.gz VYKQHSBGHRHXNS-GHMZBOCLSA-N 1 0 388.863 1.930 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@]1(C)CCCOC1 ZINC001574773954 950998573 /nfs/dbraw/zinc/99/85/73/950998573.db2.gz AASDPRAUTQUIIZ-ORAYPTAESA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1csnn1 ZINC001574530871 951000189 /nfs/dbraw/zinc/00/01/89/951000189.db2.gz YEKYRTUVZMGDMN-DTWKUNHWSA-N 1 0 378.487 1.466 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cccc2c1CCOC2 ZINC001575018883 951028726 /nfs/dbraw/zinc/02/87/26/951028726.db2.gz RHEAHENEMLVDJS-GFCCVEGCSA-N 1 0 381.440 1.176 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccccc1OC1CC1 ZINC001575020327 951058052 /nfs/dbraw/zinc/05/80/52/951058052.db2.gz YWHKZYCGTURKSE-LBPRGKRZSA-N 1 0 381.440 1.644 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024491 951104525 /nfs/dbraw/zinc/10/45/25/951104525.db2.gz FPWFZFWZGSIECA-AWEZNQCLSA-N 1 0 391.479 1.767 20 0 GDADRO C[C@H](CNC(=O)c1ccc(F)cn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575024897 951118661 /nfs/dbraw/zinc/11/86/61/951118661.db2.gz PGQANCFPOVNWNP-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1cccc(N(C)C)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575029037 951183013 /nfs/dbraw/zinc/18/30/13/951183013.db2.gz RHVPZFHRMWVDDY-CQSZACIVSA-N 1 0 379.468 1.841 20 0 GDADRO C[C@H](CNC(=O)c1ccnn1C1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575034630 951254371 /nfs/dbraw/zinc/25/43/71/951254371.db2.gz OZKRMUOTLZRBKV-GFCCVEGCSA-N 1 0 381.444 1.226 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575042714 951369839 /nfs/dbraw/zinc/36/98/39/951369839.db2.gz MLWFEDDLCPWOFF-LBPRGKRZSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C(F)F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575052521 951465690 /nfs/dbraw/zinc/46/56/90/951465690.db2.gz KTRNGSHCDYUVOX-JTQLQIEISA-N 1 0 376.371 1.366 20 0 GDADRO C[C@H](CNC(=O)c1occ2c1CCOC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067258 951606814 /nfs/dbraw/zinc/60/68/14/951606814.db2.gz POWQGIVBJAEVPT-LLVKDONJSA-N 1 0 383.412 1.182 20 0 GDADRO CC(C)c1nnsc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575069877 951646831 /nfs/dbraw/zinc/64/68/31/951646831.db2.gz MQLVHALSIOJFKW-LLVKDONJSA-N 1 0 386.485 1.750 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077487 951669484 /nfs/dbraw/zinc/66/94/84/951669484.db2.gz 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C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575080097 951705146 /nfs/dbraw/zinc/70/51/46/951705146.db2.gz URQUYPNXQMVYGZ-YJYMSZOUSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080832 951716026 /nfs/dbraw/zinc/71/60/26/951716026.db2.gz ZSOHSSCQAWWGFX-OLZOCXBDSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)c1ncc[nH]1)C1CC1 ZINC001575080931 951718815 /nfs/dbraw/zinc/71/88/15/951718815.db2.gz SRTVNIQCFCPOFD-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1ccccc1O ZINC001575081185 951720732 /nfs/dbraw/zinc/72/07/32/951720732.db2.gz PGOKUSFJPDTRDB-LBPRGKRZSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1cncs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081705 951726107 /nfs/dbraw/zinc/72/61/07/951726107.db2.gz RSWNNEQGUXVSBJ-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)n1cccc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081628 951726284 /nfs/dbraw/zinc/72/62/84/951726284.db2.gz RBHCNPURBZKUQF-UONOGXRCSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575081864 951726993 /nfs/dbraw/zinc/72/69/93/951726993.db2.gz SNZBYARMQJURKW-NSHDSACASA-N 1 0 387.394 1.696 20 0 GDADRO C[C@@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575081903 951727404 /nfs/dbraw/zinc/72/74/04/951727404.db2.gz SYAQQBACQBXWOL-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001575081854 951727498 /nfs/dbraw/zinc/72/74/98/951727498.db2.gz WIMMSWPJLAEDBY-ZBEGNZNMSA-N 1 0 387.419 1.023 20 0 GDADRO C[C@@H](CNC(=O)C[C@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082694 951736850 /nfs/dbraw/zinc/73/68/50/951736850.db2.gz YBSYDIFERPWCQZ-BLVKFPJESA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1cnns1 ZINC001575082882 951737845 /nfs/dbraw/zinc/73/78/45/951737845.db2.gz YXYWPLIRTZJFQU-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575088841 951742724 /nfs/dbraw/zinc/74/27/24/951742724.db2.gz BWESCBMUZLQYHV-RTBURBONSA-N 1 0 388.447 1.370 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575089687 951753308 /nfs/dbraw/zinc/75/33/08/951753308.db2.gz HPPOYKYNEDYSCP-IBGZPJMESA-N 1 0 380.456 1.138 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1(O)CCC1 ZINC001575090662 951761397 /nfs/dbraw/zinc/76/13/97/951761397.db2.gz NBRBNGPEVMPSLQ-GFCCVEGCSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@@H](CNC(=O)[C@H](C)n1cccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091100 951767803 /nfs/dbraw/zinc/76/78/03/951767803.db2.gz PCCLKIASSGIHPL-OLZOCXBDSA-N 1 0 386.435 1.305 20 0 GDADRO C[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001575091190 951770651 /nfs/dbraw/zinc/77/06/51/951770651.db2.gz OGMQCYPASGIHOM-ZIAGYGMSSA-N 1 0 382.472 1.246 20 0 GDADRO C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091186 951770706 /nfs/dbraw/zinc/77/07/06/951770706.db2.gz OGMQCYPASGIHOM-KGLIPLIRSA-N 1 0 382.472 1.246 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccsn1 ZINC001575091239 951771666 /nfs/dbraw/zinc/77/16/66/951771666.db2.gz QHARLFIWIUXZOF-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091586 951778454 /nfs/dbraw/zinc/77/84/54/951778454.db2.gz VQZDOUUZKBFQDU-XJKSGUPXSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575091616 951779675 /nfs/dbraw/zinc/77/96/75/951779675.db2.gz SPEAZGAPVFRHFR-LJQANCHMSA-N 1 0 384.440 1.129 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091642 951780793 /nfs/dbraw/zinc/78/07/93/951780793.db2.gz SZJHVUBRIBLKKK-OAHLLOKOSA-N 1 0 379.468 1.736 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091641 951781068 /nfs/dbraw/zinc/78/10/68/951781068.db2.gz SZJHVUBRIBLKKK-HNNXBMFYSA-N 1 0 379.468 1.736 20 0 GDADRO C[C@@H](CNC(=O)CCn1cccc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091714 951782350 /nfs/dbraw/zinc/78/23/50/951782350.db2.gz WROJZZFWSWTAEB-CQSZACIVSA-N 1 0 385.447 1.740 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc(Cl)no1 ZINC001575092557 951794394 /nfs/dbraw/zinc/79/43/94/951794394.db2.gz DUKQERDJNBFVNT-JTQLQIEISA-N 1 0 375.820 1.758 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001575095506 951812537 /nfs/dbraw/zinc/81/25/37/951812537.db2.gz VCONFOBBKFCBPH-CQSZACIVSA-N 1 0 382.472 1.800 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1cnn(C)c1 ZINC001575098758 951826148 /nfs/dbraw/zinc/82/61/48/951826148.db2.gz GHZCGCAUQPMCQE-LBPRGKRZSA-N 1 0 388.501 1.231 20 0 GDADRO C[C@H](CNC(=O)[C@]1(C)CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101413 951859957 /nfs/dbraw/zinc/85/99/57/951859957.db2.gz DYWDRUREYNJWHH-KPZWWZAWSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](CNC(=O)CCn1cccn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101538 951861097 /nfs/dbraw/zinc/86/10/97/951861097.db2.gz GVGOXJHGXQNXNA-CYBMUJFWSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@@H](CNC(=O)C1CCC(O)CC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101702 951863384 /nfs/dbraw/zinc/86/33/84/951863384.db2.gz IQCMNWIKLSYCCG-LRVUVFPRSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575102365 951867475 /nfs/dbraw/zinc/86/74/75/951867475.db2.gz LXJCTTZJGSUCSL-BFUOFWGJSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103020 951872317 /nfs/dbraw/zinc/87/23/17/951872317.db2.gz QZARSQQXAMPLRM-GXTWGEPZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1cccnn1)C1CC1 ZINC001575104467 951885762 /nfs/dbraw/zinc/88/57/62/951885762.db2.gz CZPOXZLUXORISW-IBGZPJMESA-N 1 0 378.440 1.345 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCc2cccnc21)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106197 951903148 /nfs/dbraw/zinc/90/31/48/951903148.db2.gz QUQIDSNCOOKCIX-KBXCAEBGSA-N 1 0 391.479 1.834 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CC12CCOCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106531 951905143 /nfs/dbraw/zinc/90/51/43/951905143.db2.gz RTQLERZYZUWGOI-PBHICJAKSA-N 1 0 384.484 1.525 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)c1cccnc1)C1CC1 ZINC001575107036 951911232 /nfs/dbraw/zinc/91/12/32/951911232.db2.gz XQCNXIBUTGCZIJ-HXUWFJFHSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1ccncc1F ZINC001575107106 951912750 /nfs/dbraw/zinc/91/27/50/951912750.db2.gz YZNQXNVEJATADI-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575107134 951913161 /nfs/dbraw/zinc/91/31/61/951913161.db2.gz ZTOGZUVDXWSSQA-KGLIPLIRSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1ccncn1 ZINC001575107956 951922357 /nfs/dbraw/zinc/92/23/57/951922357.db2.gz JYHIAXUMLSVYGV-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108737 951927069 /nfs/dbraw/zinc/92/70/69/951927069.db2.gz NBICOWGDRZCZKG-CYBMUJFWSA-N 1 0 379.468 1.839 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575109227 951927747 /nfs/dbraw/zinc/92/77/47/951927747.db2.gz PUEDUPJTEXRXMV-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575109946 951935654 /nfs/dbraw/zinc/93/56/54/951935654.db2.gz WLRBTJNZGLAZTB-CYBMUJFWSA-N 1 0 386.435 1.283 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575110054 951937886 /nfs/dbraw/zinc/93/78/86/951937886.db2.gz XOKSNXKSNIQWLO-NSHDSACASA-N 1 0 390.398 1.709 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001575113408 951940963 /nfs/dbraw/zinc/94/09/63/951940963.db2.gz AZRAIBMRFRYUEF-YLJYHZDGSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](CNC(=O)c1c(F)cncc1F)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113753 951944929 /nfs/dbraw/zinc/94/49/29/951944929.db2.gz FORACJNXJSLXHE-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575113766 951945984 /nfs/dbraw/zinc/94/59/84/951945984.db2.gz FVCOIJDRQIWFQP-HXUWFJFHSA-N 1 0 384.484 1.668 20 0 GDADRO CC(C)c1nsc(C[NH2+]C[C@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001575116559 951972478 /nfs/dbraw/zinc/97/24/78/951972478.db2.gz FDCVTAXAEXOMPF-JTQLQIEISA-N 1 0 389.489 1.325 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1ncc(Cl)s1 ZINC001575117799 951982580 /nfs/dbraw/zinc/98/25/80/951982580.db2.gz PVZGXNILNZXHNM-QMMMGPOBSA-N 1 0 380.865 1.460 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1nc2c(o1)CCCC2 ZINC001575118235 951984508 /nfs/dbraw/zinc/98/45/08/951984508.db2.gz RIEWTPDCWXIJMC-LLVKDONJSA-N 1 0 384.444 1.217 20 0 GDADRO C[C@@H](C[NH2+]Cc1cnc(Cl)s1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575119377 951989252 /nfs/dbraw/zinc/98/92/52/951989252.db2.gz XRMBLLXSPZQLEE-QMMMGPOBSA-N 1 0 380.865 1.555 20 0 GDADRO CC(C)c1nnc(C[NH2+]C[C@@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)s1 ZINC001575119660 951990494 /nfs/dbraw/zinc/99/04/94/951990494.db2.gz ZYRGTQIAOFMFIV-SNVBAGLBSA-N 1 0 389.489 1.325 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575143931 952159961 /nfs/dbraw/zinc/15/99/61/952159961.db2.gz DTCQOQFWXLLLJO-IFXJQAMLSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575145065 952176840 /nfs/dbraw/zinc/17/68/40/952176840.db2.gz OZRDQMBZUWKZKE-HNNXBMFYSA-N 1 0 383.378 1.723 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575146381 952192924 /nfs/dbraw/zinc/19/29/24/952192924.db2.gz JUSLFKJNANCAPG-QMMMGPOBSA-N 1 0 378.343 1.182 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1c(F)ccc(F)c1F ZINC001575147444 952200305 /nfs/dbraw/zinc/20/03/05/952200305.db2.gz UATBFASOFQHFBS-SECBINFHSA-N 1 0 391.357 1.674 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575164138 952287160 /nfs/dbraw/zinc/28/71/60/952287160.db2.gz IQLBRFNRLIDTEQ-FZMZJTMJSA-N 1 0 388.451 1.001 20 0 GDADRO C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575189378 952456292 /nfs/dbraw/zinc/45/62/92/952456292.db2.gz PDEDIKGXSTXXPZ-ZDUSSCGKSA-N 1 0 383.431 1.572 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC(F)(F)C1 ZINC001571121124 952514020 /nfs/dbraw/zinc/51/40/20/952514020.db2.gz WUUWGYJKTQDKSS-HNNXBMFYSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CN1C(=O)CC(C)(C)O ZINC001571124134 952533606 /nfs/dbraw/zinc/53/36/06/952533606.db2.gz ZKVLOPRLMHJXJU-WCQYABFASA-N 1 0 376.436 1.246 20 0 GDADRO Cc1cc(N2CCN(C(=O)C3(C)CC(F)(F)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124449 952539001 /nfs/dbraw/zinc/53/90/01/952539001.db2.gz JFMPSHRUANQKRD-UHFFFAOYSA-N 1 0 377.399 1.654 20 0 GDADRO Cc1cc(N2CCC(NC(=O)[C@@H]3CCC3(F)F)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571124736 952544159 /nfs/dbraw/zinc/54/41/59/952544159.db2.gz SLZIHNFUNWWTLT-ZDUSSCGKSA-N 1 0 377.399 1.700 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001571127395 952554906 /nfs/dbraw/zinc/55/49/06/952554906.db2.gz GGYZKNXFHFAQQS-JTQLQIEISA-N 1 0 377.861 1.914 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001575214192 952562574 /nfs/dbraw/zinc/56/25/74/952562574.db2.gz KLFVWRFCNNSBMP-UOJUARBOSA-N 1 0 391.426 1.742 20 0 GDADRO Cc1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571128085 952563752 /nfs/dbraw/zinc/56/37/52/952563752.db2.gz OTTRJXGQPZCBGU-KDYLLFBJSA-N 1 0 377.452 1.868 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575214482 952565865 /nfs/dbraw/zinc/56/58/65/952565865.db2.gz LIBSQFSCLMMFDV-ZDUSSCGKSA-N 1 0 382.415 1.115 20 0 GDADRO Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@@H]3C2)c1 ZINC001571128340 952565818 /nfs/dbraw/zinc/56/58/18/952565818.db2.gz RGIAYMARFXGZDB-MAUKXSAKSA-N 1 0 377.452 1.850 20 0 GDADRO Cc1cncc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571128317 952566221 /nfs/dbraw/zinc/56/62/21/952566221.db2.gz RBEKGEZWEGLZPF-GOSISDBHSA-N 1 0 377.452 1.965 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001571128279 952566283 /nfs/dbraw/zinc/56/62/83/952566283.db2.gz QLODEHZWDFDMDF-UHFFFAOYSA-N 1 0 377.452 1.933 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001571128906 952572508 /nfs/dbraw/zinc/57/25/08/952572508.db2.gz XUEUPMUSUMNSGW-RDTXWAMCSA-N 1 0 377.452 1.902 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)c3cc4c([nH]3)CCC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134176 952587325 /nfs/dbraw/zinc/58/73/25/952587325.db2.gz BOTXIKZLTPPDDM-CYBMUJFWSA-N 1 0 378.440 1.396 20 0 GDADRO Cc1cccnc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001571134179 952587751 /nfs/dbraw/zinc/58/77/51/952587751.db2.gz GAJBQRPZJUZANK-KEYYUXOJSA-N 1 0 378.440 1.434 20 0 GDADRO Cc1cnc(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)cn1 ZINC001571134698 952593631 /nfs/dbraw/zinc/59/36/31/952593631.db2.gz LZRKZNXEPMIMSC-CJNGLKHVSA-N 1 0 378.440 1.358 20 0 GDADRO Cc1ccnc(C(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)n1 ZINC001571134690 952593656 /nfs/dbraw/zinc/59/36/56/952593656.db2.gz LYTIEUBIBMZRPS-CJNGLKHVSA-N 1 0 378.440 1.358 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(C(=O)c2cncnc2)C1 ZINC001571135318 952602494 /nfs/dbraw/zinc/60/24/94/952602494.db2.gz UBYDGMDIOAIPQZ-KRWDZBQOSA-N 1 0 378.440 1.393 20 0 GDADRO O=C(c1occ2c1CCC2)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571135444 952603994 /nfs/dbraw/zinc/60/39/94/952603994.db2.gz WANNIHZXIDZAAT-INIZCTEOSA-N 1 0 378.436 1.953 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)c1cccc(F)c1 ZINC001571135670 952606950 /nfs/dbraw/zinc/60/69/50/952606950.db2.gz ARSDUPRPJCSULR-PIIMJCKOSA-N 1 0 378.411 1.866 20 0 GDADRO CC(C)[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571136967 952617415 /nfs/dbraw/zinc/61/74/15/952617415.db2.gz YGYDAMWYXGJYIL-HFBAOOFYSA-N 1 0 378.427 1.936 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)oc1C ZINC001571136822 952617482 /nfs/dbraw/zinc/61/74/82/952617482.db2.gz XEKDFEMEPRWZOU-VQFNDLOPSA-N 1 0 378.436 1.937 20 0 GDADRO COc1cccnc1C(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571140160 952623337 /nfs/dbraw/zinc/62/33/37/952623337.db2.gz AHXSPTWSPFBTMK-UHFFFAOYSA-N 1 0 379.424 1.132 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)c1ccncc1F ZINC001571140056 952623415 /nfs/dbraw/zinc/62/34/15/952623415.db2.gz OGDSFPSEDCXPPV-QLPKVWCKSA-N 1 0 379.399 1.261 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1ncccc1O ZINC001571140388 952625617 /nfs/dbraw/zinc/62/56/17/952625617.db2.gz BXQPETJDBZRTBH-OAHLLOKOSA-N 1 0 379.424 1.362 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC001571141027 952630653 /nfs/dbraw/zinc/63/06/53/952630653.db2.gz FRLOPIOXNCSTSM-UHFFFAOYSA-N 1 0 378.440 1.328 20 0 GDADRO CC[NH+]1CCC(NC(=O)c2cccc(-c3nn[nH]n3)c2Br)CC1 ZINC001571141008 952630879 /nfs/dbraw/zinc/63/08/79/952630879.db2.gz FJCYPVCWYRKUCG-UHFFFAOYSA-N 1 0 379.262 1.843 20 0 GDADRO Cc1nnccc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571141583 952634813 /nfs/dbraw/zinc/63/48/13/952634813.db2.gz IQMODCGERSEJQG-OAHLLOKOSA-N 1 0 378.440 1.360 20 0 GDADRO O=C(c1cc[nH]n1)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC001571142255 952640322 /nfs/dbraw/zinc/64/03/22/952640322.db2.gz NIDVRHDMAVIGSS-UHFFFAOYSA-N 1 0 378.440 1.328 20 0 GDADRO O=C(NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)c1cnc(C2CC2)o1 ZINC001571142382 952640782 /nfs/dbraw/zinc/64/07/82/952640782.db2.gz SPFWXSGDWCLBAM-UHFFFAOYSA-N 1 0 379.424 1.594 20 0 GDADRO O=C(NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccccc1O ZINC001571142604 952644147 /nfs/dbraw/zinc/64/41/47/952644147.db2.gz XYEGPXPYNZRSBK-ZDUSSCGKSA-N 1 0 379.424 1.614 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1c[nH]nc1C1CC1 ZINC001571142689 952645134 /nfs/dbraw/zinc/64/51/34/952645134.db2.gz VNCMKLAPYFHLHG-SHTZXODSSA-N 1 0 378.440 1.518 20 0 GDADRO O=C(c1cocn1)N1CC2(C1)CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571147000 952655203 /nfs/dbraw/zinc/65/52/03/952655203.db2.gz GBRYGCRBUYEEJR-UHFFFAOYSA-N 1 0 379.424 1.593 20 0 GDADRO O=C(c1cocn1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CC[C@@H]2C1 ZINC001571147730 952663421 /nfs/dbraw/zinc/66/34/21/952663421.db2.gz PDVJVNRIWCMWRH-CVEARBPZSA-N 1 0 379.424 1.449 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccn(C)c2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571151551 952675345 /nfs/dbraw/zinc/67/53/45/952675345.db2.gz QIXKZJWXRGXAPY-KDOFPFPSSA-N 1 0 379.468 1.846 20 0 GDADRO C[C@H]1CN(C(=O)c2cccn2C)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571151835 952678965 /nfs/dbraw/zinc/67/89/65/952678965.db2.gz YNVZQGRKSICWHK-GOEBONIOSA-N 1 0 379.468 1.703 20 0 GDADRO O=C([C@H]1CCC1(F)F)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571152195 952680966 /nfs/dbraw/zinc/68/09/66/952680966.db2.gz DEIBNPZJOHUORN-DGCLKSJQSA-N 1 0 380.374 1.742 20 0 GDADRO CCc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)[nH+]cc2-c2nn[nH]n2)no1 ZINC001571155688 952698850 /nfs/dbraw/zinc/69/88/50/952698850.db2.gz XRIFWFPSWVITCC-RYUDHWBXSA-N 1 0 380.412 1.224 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)cnn1 ZINC001571158939 952716016 /nfs/dbraw/zinc/71/60/16/952716016.db2.gz UYOCMZKIIQDLLL-CQSZACIVSA-N 1 0 379.428 1.149 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)c3coc(C4CC4)n3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571159274 952717937 /nfs/dbraw/zinc/71/79/37/952717937.db2.gz SPNIVBWBVAGFOC-GFCCVEGCSA-N 1 0 380.412 1.444 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)c2cnn(C)c2)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571165928 952755822 /nfs/dbraw/zinc/75/58/22/952755822.db2.gz JAUJIVKQTLNLRE-DYVFJYSZSA-N 1 0 380.456 1.383 20 0 GDADRO CCc1nc[nH]c1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571166879 952766391 /nfs/dbraw/zinc/76/63/91/952766391.db2.gz QUICAVADOQPIOY-CQSZACIVSA-N 1 0 380.456 1.404 20 0 GDADRO CCc1cc(C(=O)NC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)[nH]n1 ZINC001571166855 952766649 /nfs/dbraw/zinc/76/66/49/952766649.db2.gz QPHQXCUGBUKMRQ-UHFFFAOYSA-N 1 0 380.456 1.547 20 0 GDADRO C[C@@H](NC(=O)c1cn[nH]c1)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571166996 952767383 /nfs/dbraw/zinc/76/73/83/952767383.db2.gz RZPOUMOIHAQFJC-KGLIPLIRSA-N 1 0 380.456 1.620 20 0 GDADRO C[C@H]([NH2+]Cc1cccnc1)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571167220 952771742 /nfs/dbraw/zinc/77/17/42/952771742.db2.gz YSYRXJNSAKOJFW-SUMWQHHRSA-N 1 0 380.456 1.763 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571167254 952772354 /nfs/dbraw/zinc/77/23/54/952772354.db2.gz ZWDIFGOXTREFPU-PBHICJAKSA-N 1 0 380.456 1.233 20 0 GDADRO Cc1cccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571169377 952772366 /nfs/dbraw/zinc/77/23/66/952772366.db2.gz AVDZQXXLWVOTNY-ZIAGYGMSSA-N 1 0 380.456 1.587 20 0 GDADRO Cc1ccncc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571169551 952775101 /nfs/dbraw/zinc/77/51/01/952775101.db2.gz GSDAFMLIAQESNN-CJNGLKHVSA-N 1 0 380.456 1.587 20 0 GDADRO Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571169836 952779542 /nfs/dbraw/zinc/77/95/42/952779542.db2.gz OWQKUBXAVUUEFB-CZUORRHYSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1nn(C)cc1C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571171913 952799020 /nfs/dbraw/zinc/79/90/20/952799020.db2.gz IHYAESLJDOOYEL-LRDDRELGSA-N 1 0 380.456 1.301 20 0 GDADRO Cc1ncn(C)c1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172534 952806404 /nfs/dbraw/zinc/80/64/04/952806404.db2.gz WOFZUVOMGIWFEW-CTYIDZIISA-N 1 0 380.456 1.207 20 0 GDADRO Cc1cnoc1C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571179310 952852116 /nfs/dbraw/zinc/85/21/16/952852116.db2.gz BFEAQZQGNYGHMK-GDBMZVCRSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c(C)o1 ZINC001571179655 952856182 /nfs/dbraw/zinc/85/61/82/952856182.db2.gz IGPIOHVMDPGHTC-BDJLRTHQSA-N 1 0 381.440 1.722 20 0 GDADRO CCc1oncc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571182657 952867116 /nfs/dbraw/zinc/86/71/16/952867116.db2.gz ARUCTTGIWJKLLY-CQSZACIVSA-N 1 0 381.440 1.812 20 0 GDADRO COc1cccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571182651 952867656 /nfs/dbraw/zinc/86/76/56/952867656.db2.gz AJAFQYHASDPECU-DOMZBBRYSA-N 1 0 381.440 1.769 20 0 GDADRO CCc1ocnc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571182714 952867763 /nfs/dbraw/zinc/86/77/63/952867763.db2.gz CLKQJMSPERHROJ-CQSZACIVSA-N 1 0 381.440 1.812 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3[nH]ccc3C)C2)cc1-c1nn[nH]n1 ZINC001571182756 952868831 /nfs/dbraw/zinc/86/88/31/952868831.db2.gz DSIUICXOAWSMGB-AWEZNQCLSA-N 1 0 381.440 1.516 20 0 GDADRO CC(C)c1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)on1 ZINC001571182987 952871737 /nfs/dbraw/zinc/87/17/37/952871737.db2.gz LNZSMTZTMAZHJR-OAHLLOKOSA-N 1 0 381.440 1.982 20 0 GDADRO O=C(c1ccncc1)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571183104 952873030 /nfs/dbraw/zinc/87/30/30/952873030.db2.gz OQWJERYPQPENPX-HNNXBMFYSA-N 1 0 381.415 1.795 20 0 GDADRO O=C(c1cncc(F)c1)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571183229 952875571 /nfs/dbraw/zinc/87/55/71/952875571.db2.gz TZNJNSXHYYCQDT-UHFFFAOYSA-N 1 0 381.415 1.749 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001571183666 952880899 /nfs/dbraw/zinc/88/08/99/952880899.db2.gz HCCQSVGFADNQST-IUODEOHRSA-N 1 0 381.444 1.015 20 0 GDADRO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)c1ncccn1 ZINC001571183851 952884311 /nfs/dbraw/zinc/88/43/11/952884311.db2.gz KWNNUQHWHLONSM-SGMGOOAPSA-N 1 0 381.444 1.234 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571187942 952911255 /nfs/dbraw/zinc/91/12/55/952911255.db2.gz DDOZGDAPUIQWES-DGCLKSJQSA-N 1 0 381.444 1.129 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571189654 952931911 /nfs/dbraw/zinc/93/19/11/952931911.db2.gz ZPXYCZGGXALNAP-AAEUAGOBSA-N 1 0 381.444 1.389 20 0 GDADRO Cc1ncc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)[nH]1 ZINC001571189879 952935879 /nfs/dbraw/zinc/93/58/79/952935879.db2.gz YGSGHQWXXDHZFC-WCQYABFASA-N 1 0 381.444 1.328 20 0 GDADRO Cc1cc(N[C@@H]2CCCN(C(=O)c3cncc(F)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571196487 952981240 /nfs/dbraw/zinc/98/12/40/952981240.db2.gz LAFUKXSSLMCMAN-CQSZACIVSA-N 1 0 382.403 1.243 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)cnn1 ZINC001571196762 952983454 /nfs/dbraw/zinc/98/34/54/952983454.db2.gz NPQGVZJAKLWTQZ-OAHLLOKOSA-N 1 0 382.403 1.109 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CN1C(=O)c1cncnc1 ZINC001571197352 952988871 /nfs/dbraw/zinc/98/88/71/952988871.db2.gz XSIALIASVQEVIK-FZMZJTMJSA-N 1 0 382.403 1.189 20 0 GDADRO CCOc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571198909 952994823 /nfs/dbraw/zinc/99/48/23/952994823.db2.gz IAONQGSPPUDXAU-JOCQHMNTSA-N 1 0 382.428 1.039 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571199718 953004080 /nfs/dbraw/zinc/00/40/80/953004080.db2.gz AAXVYKQRRHMUCP-MLGOLLRUSA-N 1 0 382.428 1.415 20 0 GDADRO Cc1cnc(C[N@@H+]2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)CC[C@H]32)o1 ZINC001571201300 953016193 /nfs/dbraw/zinc/01/61/93/953016193.db2.gz JUBKJDNFOLCRKW-SWLSCSKDSA-N 1 0 382.428 1.228 20 0 GDADRO O=C(c1ccncn1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571201485 953019078 /nfs/dbraw/zinc/01/90/78/953019078.db2.gz QNIVTJOVZKRDHJ-CYBMUJFWSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1cnoc1C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571202535 953026627 /nfs/dbraw/zinc/02/66/27/953026627.db2.gz UPCLSPIBFVUXFB-OLZOCXBDSA-N 1 0 382.428 1.190 20 0 GDADRO Cc1nocc1C(=O)N1CCC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202769 953028546 /nfs/dbraw/zinc/02/85/46/953028546.db2.gz YIMIKRNTSIOXMN-CYBMUJFWSA-N 1 0 382.428 1.608 20 0 GDADRO Cc1nonc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571204700 953032753 /nfs/dbraw/zinc/03/27/53/953032753.db2.gz CEDNRLCSBUVQMI-CQSZACIVSA-N 1 0 382.428 1.343 20 0 GDADRO O=C(C1=CCOCC1)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571209881 953069017 /nfs/dbraw/zinc/06/90/17/953069017.db2.gz HOLZDGXMAAYPLB-GOSISDBHSA-N 1 0 382.468 1.684 20 0 GDADRO CO[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)C1CC1 ZINC001571210017 953069777 /nfs/dbraw/zinc/06/97/77/953069777.db2.gz LUDXWFWHKCCIRZ-KSZLIROESA-N 1 0 382.468 1.324 20 0 GDADRO C[C@@H]1COCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571209941 953069833 /nfs/dbraw/zinc/06/98/33/953069833.db2.gz JSBRYCLEENQINH-FUEZWAHWSA-N 1 0 382.468 1.086 20 0 GDADRO O=C(C[C@@H]1CCOC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210832 953075738 /nfs/dbraw/zinc/07/57/38/953075738.db2.gz XUMUIIGZZNVQJL-RANZSIQMSA-N 1 0 382.468 1.515 20 0 GDADRO COc1nc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571220166 953129659 /nfs/dbraw/zinc/12/96/59/953129659.db2.gz YAXKTWHLOPOTKI-GOSISDBHSA-N 1 0 383.412 1.258 20 0 GDADRO Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC001571229363 953169152 /nfs/dbraw/zinc/16/91/52/953169152.db2.gz CSXQLPFKIFOYCP-YVEFUNNKSA-N 1 0 383.431 1.893 20 0 GDADRO Cn1cccc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571229835 953171891 /nfs/dbraw/zinc/17/18/91/953171891.db2.gz OUICKPMJTXNPOH-HDJSIYSDSA-N 1 0 383.431 1.643 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccc1 ZINC001571230000 953173139 /nfs/dbraw/zinc/17/31/39/953173139.db2.gz QPLRPDSDQXGHGX-VBNZEHGJSA-N 1 0 383.431 1.805 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc[nH]2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571230313 953176072 /nfs/dbraw/zinc/17/60/72/953176072.db2.gz UTZUTKZFQZFDLT-MLGOLLRUSA-N 1 0 383.431 1.974 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc[nH]2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571230314 953176262 /nfs/dbraw/zinc/17/62/62/953176262.db2.gz UTZUTKZFQZFDLT-WBMJQRKESA-N 1 0 383.431 1.974 20 0 GDADRO Cc1c[nH]cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571230308 953176345 /nfs/dbraw/zinc/17/63/45/953176345.db2.gz UNVPAUIPNOVERN-SJKOYZFVSA-N 1 0 383.431 1.893 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)sc1C ZINC001571233727 953195267 /nfs/dbraw/zinc/19/52/67/953195267.db2.gz BUDDFBYIPVHPDE-CQSZACIVSA-N 1 0 383.481 1.944 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)Cc1cccnc1 ZINC001571233812 953196105 /nfs/dbraw/zinc/19/61/05/953196105.db2.gz FBPZEEVCHIUPKD-IUODEOHRSA-N 1 0 383.481 1.502 20 0 GDADRO Cc1ncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)s1 ZINC001571233799 953196211 /nfs/dbraw/zinc/19/62/11/953196211.db2.gz DKZBDBMTWBUJQR-HNNXBMFYSA-N 1 0 383.481 1.978 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]2C)[nH]n1 ZINC001571239760 953243152 /nfs/dbraw/zinc/24/31/52/953243152.db2.gz SEQPNNPXQRQDLP-RISCZKNCSA-N 1 0 384.419 1.430 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1cn(C)cn1 ZINC001571240089 953246588 /nfs/dbraw/zinc/24/65/88/953246588.db2.gz ZMHHWZKGGRWXIF-BXUZGUMPSA-N 1 0 384.419 1.132 20 0 GDADRO Cn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)cn1 ZINC001571241821 953250690 /nfs/dbraw/zinc/25/06/90/953250690.db2.gz MHSIIPWJKRASIS-CQSZACIVSA-N 1 0 384.419 1.134 20 0 GDADRO Cc1ncn(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571242015 953252642 /nfs/dbraw/zinc/25/26/42/953252642.db2.gz SUGLBQILWJJRGH-OKILXGFUSA-N 1 0 384.419 1.098 20 0 GDADRO CCc1nocc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571242559 953257941 /nfs/dbraw/zinc/25/79/41/953257941.db2.gz JAFOLCLHMYVIED-BXUZGUMPSA-N 1 0 384.444 1.434 20 0 GDADRO CCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)c2cncs2)CC1 ZINC001571244797 953267350 /nfs/dbraw/zinc/26/73/50/953267350.db2.gz IZJZRABBETURGO-UHFFFAOYSA-N 1 0 384.469 1.637 20 0 GDADRO C[C@@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245853 953278008 /nfs/dbraw/zinc/27/80/08/953278008.db2.gz NFMVIMHIKBKJDV-VXGBXAGGSA-N 1 0 384.469 1.350 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571245910 953278684 /nfs/dbraw/zinc/27/86/84/953278684.db2.gz OLAVLLIPJFUFCX-BXUZGUMPSA-N 1 0 384.469 1.501 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571245989 953279074 /nfs/dbraw/zinc/27/90/74/953279074.db2.gz QALUIJUVPHEDNS-VZEFYGNVSA-N 1 0 384.459 1.990 20 0 GDADRO CC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN(C(=O)c2cnns2)CC1 ZINC001571246301 953281701 /nfs/dbraw/zinc/28/17/01/953281701.db2.gz XSIROWSSJUIQKV-UHFFFAOYSA-N 1 0 384.469 1.503 20 0 GDADRO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOCC1 ZINC001571247627 953284209 /nfs/dbraw/zinc/28/42/09/953284209.db2.gz BFIAPIRZCQCGSC-QGZVFWFLSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(N[C@@H]1C[C@@H]([NH2+]Cc2cscn2)C12CCC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571247674 953284523 /nfs/dbraw/zinc/28/45/23/953284523.db2.gz BXNYMCPWRGIHLC-ZIAGYGMSSA-N 1 0 384.469 1.482 20 0 GDADRO CO[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001571247719 953285643 /nfs/dbraw/zinc/28/56/43/953285643.db2.gz CJNJVEBQJSLROM-MSOLQXFVSA-N 1 0 384.484 1.715 20 0 GDADRO CO[C@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571247983 953288399 /nfs/dbraw/zinc/28/83/99/953288399.db2.gz KJYIBBZIYOEPIW-MSOLQXFVSA-N 1 0 384.484 1.762 20 0 GDADRO Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1C ZINC001571248130 953289858 /nfs/dbraw/zinc/28/98/58/953289858.db2.gz FAKYXYYREYIDGR-BXUZGUMPSA-N 1 0 384.444 1.379 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)C2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CO1 ZINC001571248157 953290529 /nfs/dbraw/zinc/29/05/29/953290529.db2.gz MKMVCYZSCUGZLK-ZBFHGGJFSA-N 1 0 384.484 1.715 20 0 GDADRO C[C@H]1CO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001571248316 953292153 /nfs/dbraw/zinc/29/21/53/953292153.db2.gz QFJXDPLXEOBIJJ-IIVZCXTMSA-N 1 0 384.484 1.809 20 0 GDADRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[nH]n3)s1)C2)c1cn[nH]c1 ZINC001571248501 953294744 /nfs/dbraw/zinc/29/47/44/953294744.db2.gz VZQBQWAWYYQCPS-UHFFFAOYSA-N 1 0 384.469 1.482 20 0 GDADRO Cc1ncsc1C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571248639 953295719 /nfs/dbraw/zinc/29/57/19/953295719.db2.gz WUDIYXUQMIZYJC-GFCCVEGCSA-N 1 0 384.469 1.673 20 0 GDADRO Cc1conc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571248833 953298061 /nfs/dbraw/zinc/29/80/61/953298061.db2.gz JUCDUKNMBQEVSD-OCCSQVGLSA-N 1 0 384.444 1.570 20 0 GDADRO Cc1ncc(C[NH2+]C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)o1 ZINC001571248957 953299788 /nfs/dbraw/zinc/29/97/88/953299788.db2.gz MWJRWERMKTWXBB-DGCLKSJQSA-N 1 0 384.444 1.379 20 0 GDADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCCO1 ZINC001571249414 953304621 /nfs/dbraw/zinc/30/46/21/953304621.db2.gz IOKKNNUFMUZNST-AEFFLSMTSA-N 1 0 384.484 1.907 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571250683 953312819 /nfs/dbraw/zinc/31/28/19/953312819.db2.gz SETBNWZZROPUTK-CQSZACIVSA-N 1 0 384.488 1.221 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571251823 953320676 /nfs/dbraw/zinc/32/06/76/953320676.db2.gz ANNPZIAGHXGXOY-JKSUJKDBSA-N 1 0 384.488 1.539 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001571252010 953321794 /nfs/dbraw/zinc/32/17/94/953321794.db2.gz FBFJEFMIUAGSSY-ZBFHGGJFSA-N 1 0 384.488 1.092 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571251961 953322091 /nfs/dbraw/zinc/32/20/91/953322091.db2.gz CUSWMPHUWONDAH-PBHICJAKSA-N 1 0 384.488 1.397 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(c3ncccc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571252066 953322519 /nfs/dbraw/zinc/32/25/19/953322519.db2.gz GLXSCBXNLYYBHL-ZBQZNYHESA-N 1 0 384.488 1.077 20 0 GDADRO Cc1nc(N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)ccc1-c1nn[nH]n1 ZINC001571252140 953324058 /nfs/dbraw/zinc/32/40/58/953324058.db2.gz IGAYGRYJEVRXKA-DAXOMENPSA-N 1 0 384.488 1.313 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571252257 953326396 /nfs/dbraw/zinc/32/63/96/953326396.db2.gz JASBUEIZRSJRLF-CVEARBPZSA-N 1 0 384.488 1.539 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CCCN2C(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001571252438 953328978 /nfs/dbraw/zinc/32/89/78/953328978.db2.gz MOUGVYJFMOTVJS-GOEBONIOSA-N 1 0 384.488 1.457 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252730 953332098 /nfs/dbraw/zinc/33/20/98/953332098.db2.gz VFKZZHMUBGPPHW-HZPDHXFCSA-N 1 0 384.488 1.079 20 0 GDADRO Cc1conc1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@@H]1C ZINC001571253872 953334590 /nfs/dbraw/zinc/33/45/90/953334590.db2.gz AANACSRYCBTLKT-XHDPSFHLSA-N 1 0 385.403 1.695 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)co1 ZINC001571254023 953336465 /nfs/dbraw/zinc/33/64/65/953336465.db2.gz CKEFTXSVZMGLGJ-CYBMUJFWSA-N 1 0 385.403 1.697 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ncc(F)cc1F ZINC001571255089 953345257 /nfs/dbraw/zinc/34/52/57/953345257.db2.gz HVLVXCJHOUYXKY-AWEZNQCLSA-N 1 0 385.378 1.544 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)c1cocn1 ZINC001571255218 953347148 /nfs/dbraw/zinc/34/71/48/953347148.db2.gz MUSDBIFRNSZRKY-IAQYHMDHSA-N 1 0 385.403 1.682 20 0 GDADRO CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1 ZINC001593702063 954126670 /nfs/dbraw/zinc/12/66/70/954126670.db2.gz RDLTVUUDGRLEHV-GOSISDBHSA-N 1 0 392.544 1.944 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000874419797 956214274 /nfs/dbraw/zinc/21/42/74/956214274.db2.gz UYRYFAZIRCUUKV-HDICACEKSA-N 1 0 386.496 1.309 20 0 GDADRO CC(C)(C)OC(=O)NCCN1CCC([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001573447989 958847505 /nfs/dbraw/zinc/84/75/05/958847505.db2.gz QUHSAPODRHGQSS-UHFFFAOYSA-N 1 0 384.521 1.114 20 0 GDADRO C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001332945953 969723606 /nfs/dbraw/zinc/72/36/06/969723606.db2.gz JTOABNQFHRZTSS-LEUOFYLZSA-N 1 0 394.560 1.932 20 0 GDADRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c1 ZINC001604399772 973131385 /nfs/dbraw/zinc/13/13/85/973131385.db2.gz BXMXSXZVDLYQBH-ZDUSSCGKSA-N 1 0 377.441 1.329 20 0 GDADRO CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001596265241 983683429 /nfs/dbraw/zinc/68/34/29/983683429.db2.gz KIMOWKMCYTVMEY-CABCVRRESA-N 1 0 375.460 1.512 20 0 GDADRO CC[N@H+](CCNC(=O)N1CC[NH+](CCC(=O)[O-])C[C@@H]1C)CCC(F)(F)F ZINC001596334296 983775711 /nfs/dbraw/zinc/77/57/11/983775711.db2.gz CEYSYUQLPWTWQO-ZDUSSCGKSA-N 1 0 382.427 1.451 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001594516548 985909303 /nfs/dbraw/zinc/90/93/03/985909303.db2.gz PSSIRTJYVAEQPT-OAHLLOKOSA-N 1 0 375.473 1.241 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001594519356 985953953 /nfs/dbraw/zinc/95/39/53/985953953.db2.gz SKZMOTRUMDFHNG-MRXNPFEDSA-N 1 0 397.479 1.938 20 0 GDADRO CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC001589623121 987510621 /nfs/dbraw/zinc/51/06/21/987510621.db2.gz GJEIZKBOLLXMCI-UHFFFAOYSA-N 1 0 398.573 1.538 20 0 GDADRO C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001598232256 990943956 /nfs/dbraw/zinc/94/39/56/990943956.db2.gz IOGLBVKSSXYMDY-MRXNPFEDSA-N 1 0 385.867 1.995 20 0 GDADRO C[C@H](NC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001593064174 993596195 /nfs/dbraw/zinc/59/61/95/993596195.db2.gz VGCNABQMTUTLAV-YESZJQIVSA-N 1 0 380.533 1.830 20 0 GDADRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C(=O)[O-])C1 ZINC001598803292 996160132 /nfs/dbraw/zinc/16/01/32/996160132.db2.gz LCWGRVUPTIRWEG-PKOBYXMFSA-N 1 0 390.480 1.999 20 0 GDADRO COc1cc(Br)c(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)cc1O ZINC001599347813 998040428 /nfs/dbraw/zinc/04/04/28/998040428.db2.gz KATFUBDJJXSEFQ-USBNGQNGSA-N 1 0 385.258 1.787 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000775315732 1126109167 /nfs/dbraw/zinc/10/91/67/1126109167.db2.gz QRIXZVYZVVRTBD-HZPDHXFCSA-N 1 0 397.928 1.898 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(=O)n3ccccc3n2)cc1OC ZINC000933443369 1126142486 /nfs/dbraw/zinc/14/24/86/1126142486.db2.gz ALUMHOLJWSDORQ-OAQYLSRUSA-N 1 0 383.448 1.795 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC001591584035 1126216294 /nfs/dbraw/zinc/21/62/94/1126216294.db2.gz SQZAGYPDEBKAGI-HXUWFJFHSA-N 1 0 393.451 1.606 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001621248722 1126245994 /nfs/dbraw/zinc/24/59/94/1126245994.db2.gz KSJCELQHNIQLCA-LLVKDONJSA-N 1 0 387.221 1.424 20 0 GDADRO O=C(CN1C(=S)N=NC1c1cccs1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160094015 530549127 /nfs/dbraw/zinc/54/91/27/530549127.db2.gz CBJGZZFTOSLQNY-GFCCVEGCSA-N 1 0 381.527 1.258 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)c(C)s1 ZINC000158379674 530531987 /nfs/dbraw/zinc/53/19/87/530531987.db2.gz ZPYFGVKXZXNMCI-UHFFFAOYSA-N 1 0 384.527 1.463 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1Br ZINC000158913488 530537351 /nfs/dbraw/zinc/53/73/51/530537351.db2.gz AHRXOKNEGWVUDS-LBPRGKRZSA-N 1 0 395.294 1.713 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Br ZINC000158944302 530537411 /nfs/dbraw/zinc/53/74/11/530537411.db2.gz VKHRBWJBTBHFNP-GFCCVEGCSA-N 1 0 377.304 1.574 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000161944277 530564287 /nfs/dbraw/zinc/56/42/87/530564287.db2.gz DHNGFNSNCFTZLX-HNNXBMFYSA-N 1 0 375.922 1.792 20 0 GDADRO CC(C)[NH2+]CCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000161960666 530564887 /nfs/dbraw/zinc/56/48/87/530564887.db2.gz GAOLVCQMPIFCFC-UHFFFAOYSA-N 1 0 387.571 1.970 20 0 GDADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)CC1 ZINC000162067192 530565966 /nfs/dbraw/zinc/56/59/66/530565966.db2.gz RMRAFEZBDWJFPD-VWLOTQADSA-N 1 0 377.388 1.417 20 0 GDADRO COc1nc(N2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)ncc1Br ZINC000163232986 530574296 /nfs/dbraw/zinc/57/42/96/530574296.db2.gz LMZQBIJLXRQBIF-CYBMUJFWSA-N 1 0 384.322 1.854 20 0 GDADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000165639838 530581779 /nfs/dbraw/zinc/58/17/79/530581779.db2.gz FUOYLLHUQDARDP-SECBINFHSA-N 1 0 399.694 1.459 20 0 GDADRO CNC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000170782618 530588615 /nfs/dbraw/zinc/58/86/15/530588615.db2.gz FGBWGHZZTGBFJC-JTQLQIEISA-N 1 0 389.237 1.686 20 0 GDADRO C[C@@H](CNC(=O)CCOc1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000171136462 530594771 /nfs/dbraw/zinc/59/47/71/530594771.db2.gz HFFYRQLKAQVWJQ-AWEZNQCLSA-N 1 0 384.318 1.970 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171454441 530599974 /nfs/dbraw/zinc/59/99/74/530599974.db2.gz ZJTHRXXRZPUWEJ-LLVKDONJSA-N 1 0 377.919 1.377 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000172390377 530612759 /nfs/dbraw/zinc/61/27/59/530612759.db2.gz WQCGYWQBLZTZHP-ZDUSSCGKSA-N 1 0 396.289 1.578 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)nc1Cl)CN1CC[NH+](C)CC1 ZINC000173455086 530630649 /nfs/dbraw/zinc/63/06/49/530630649.db2.gz XITSUKYOVISECZ-LLVKDONJSA-N 1 0 381.329 1.550 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(Cc2ccc(I)cc2)CC1 ZINC000173520919 530632082 /nfs/dbraw/zinc/63/20/82/530632082.db2.gz BRHFDMXAALYTHD-UHFFFAOYSA-N 1 0 387.265 1.497 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000173720280 530635791 /nfs/dbraw/zinc/63/57/91/530635791.db2.gz TXZGHANLCXGNJW-GFCCVEGCSA-N 1 0 385.306 1.141 20 0 GDADRO Cn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)CC2 ZINC000172790921 530617784 /nfs/dbraw/zinc/61/77/84/530617784.db2.gz ACNBHDWAUUEHBI-CYBMUJFWSA-N 1 0 384.263 1.885 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000174394321 530646855 /nfs/dbraw/zinc/64/68/55/530646855.db2.gz AOVILVDLEAAEKB-CYBMUJFWSA-N 1 0 398.301 1.484 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NCCc2ccc(Br)cc2)CC1=O ZINC000174946788 530656534 /nfs/dbraw/zinc/65/65/34/530656534.db2.gz RNBJTYSCISNOLM-CQSZACIVSA-N 1 0 382.302 1.518 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1=O ZINC000174995877 530657055 /nfs/dbraw/zinc/65/70/55/530657055.db2.gz CFBJXWSYRUPBAE-SWLSCSKDSA-N 1 0 388.295 1.553 20 0 GDADRO COCCCS(=O)(=O)NCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000175174153 530659630 /nfs/dbraw/zinc/65/96/30/530659630.db2.gz XAVLXFLZILBRAY-GOSISDBHSA-N 1 0 375.579 1.530 20 0 GDADRO CCC[NH+]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 ZINC000047798449 530662748 /nfs/dbraw/zinc/66/27/48/530662748.db2.gz MUVMDAXYOMGFNJ-OAHLLOKOSA-N 1 0 385.555 1.846 20 0 GDADRO C[N@H+](CCNC(=O)CCNS(=O)(=O)c1cccs1)Cc1ccccc1 ZINC000053349510 530692210 /nfs/dbraw/zinc/69/22/10/530692210.db2.gz HUWFMWJEZYDDRT-UHFFFAOYSA-N 1 0 381.523 1.665 20 0 GDADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)CN2CCCC2=O)CC1 ZINC000053464858 530693061 /nfs/dbraw/zinc/69/30/61/530693061.db2.gz OGXAVBBTWGVJMZ-UHFFFAOYSA-N 1 0 395.301 1.762 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000176892991 530693139 /nfs/dbraw/zinc/69/31/39/530693139.db2.gz LJUVLWIFBOAJHC-LBPRGKRZSA-N 1 0 376.906 1.830 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cnc1N(C)C ZINC000176862067 530693230 /nfs/dbraw/zinc/69/32/30/530693230.db2.gz MFURDQOFBBMHTJ-CYBMUJFWSA-N 1 0 387.322 1.997 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000176917578 530693856 /nfs/dbraw/zinc/69/38/56/530693856.db2.gz XVTMBQHLMXLAMF-UHFFFAOYSA-N 1 0 377.457 1.592 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000177217223 530699544 /nfs/dbraw/zinc/69/95/44/530699544.db2.gz HPEUZRNLVTZRER-VHSXEESVSA-N 1 0 377.919 1.421 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)C1 ZINC000177513495 530704169 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O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1COc2ccc(Br)cc21 ZINC000179495035 530742685 /nfs/dbraw/zinc/74/26/85/530742685.db2.gz DSOBUKMZYMLPOE-OAHLLOKOSA-N 1 0 383.286 1.888 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c(Br)n1 ZINC000179519928 530743613 /nfs/dbraw/zinc/74/36/13/530743613.db2.gz XAJUAZJTBXODFZ-NSHDSACASA-N 1 0 383.290 1.939 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C)nc2Br)C1 ZINC000179559768 530744036 /nfs/dbraw/zinc/74/40/36/530744036.db2.gz ONEWCFOKKFNTSM-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO CCC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[NH+](C)C ZINC000178645309 530725050 /nfs/dbraw/zinc/72/50/50/530725050.db2.gz UQOINNLBAMNHDT-LBPRGKRZSA-N 1 0 393.962 1.965 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000178672575 530725413 /nfs/dbraw/zinc/72/54/13/530725413.db2.gz DLGBAIYJGKMLSS-VIFPVBQESA-N 1 0 390.303 1.357 20 0 GDADRO CS(=O)(=O)N1CCC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000178678555 530725784 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CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1F ZINC000262132189 531109512 /nfs/dbraw/zinc/10/95/12/531109512.db2.gz MYWNVTYWCXBKFD-LLVKDONJSA-N 1 0 379.479 1.006 20 0 GDADRO C[NH2+]CCNS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000262156362 531109927 /nfs/dbraw/zinc/10/99/27/531109927.db2.gz SYAFKARDRJQEOV-UHFFFAOYSA-N 1 0 384.639 1.035 20 0 GDADRO O=c1[nH]c2cc(Br)c(S(=O)(=O)N[C@@H]3CC[NH2+]C3)c(Cl)c2o1 ZINC000262169159 531110686 /nfs/dbraw/zinc/11/06/86/531110686.db2.gz WONDWPNDRSKLSZ-RXMQYKEDSA-N 1 0 396.650 1.177 20 0 GDADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)ccc2s1 ZINC000262181537 531111236 /nfs/dbraw/zinc/11/12/36/531111236.db2.gz BNHVOZQREJJLNF-BETUJISGSA-N 1 0 380.491 1.918 20 0 GDADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262191013 531111839 /nfs/dbraw/zinc/11/18/39/531111839.db2.gz CGNRDRSFJKLYMY-HNNXBMFYSA-N 1 0 378.325 1.803 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000262213137 531112424 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CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000154158667 531178689 /nfs/dbraw/zinc/17/86/89/531178689.db2.gz IALSBMSHZDWDLU-CQSZACIVSA-N 1 0 382.507 1.719 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)C2)s1 ZINC000154176677 531179185 /nfs/dbraw/zinc/17/91/85/531179185.db2.gz NFXFAMVXRXMMJS-VNHYZAJKSA-N 1 0 385.555 1.666 20 0 GDADRO C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000264422339 531183976 /nfs/dbraw/zinc/18/39/76/531183976.db2.gz IZWZFPUTZCAGEL-UHFFFAOYSA-N 1 0 383.333 1.588 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000264503002 531187980 /nfs/dbraw/zinc/18/79/80/531187980.db2.gz RMLRGKSXZRYEJG-HNNXBMFYSA-N 1 0 397.317 1.930 20 0 GDADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264631025 531194758 /nfs/dbraw/zinc/19/47/58/531194758.db2.gz CTNPNMGSLOETOU-DGCLKSJQSA-N 1 0 388.281 1.718 20 0 GDADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264631029 531194503 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1.742 20 0 GDADRO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000411923767 531348599 /nfs/dbraw/zinc/34/85/99/531348599.db2.gz OPSYMLXGABBSEV-RCBQFDQVSA-N 1 0 385.302 1.878 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000440857304 531349188 /nfs/dbraw/zinc/34/91/88/531349188.db2.gz SHNIKRPCQLDOBK-WRWORJQWSA-N 1 0 389.275 1.307 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])c1 ZINC000440863159 531349201 /nfs/dbraw/zinc/34/92/01/531349201.db2.gz UHKKENDKJQSHCA-CMPLNLGQSA-N 1 0 393.303 1.585 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000440855404 531349291 /nfs/dbraw/zinc/34/92/91/531349291.db2.gz FFLKNWPXUCKCTO-JTQLQIEISA-N 1 0 391.287 1.514 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000440866126 531349755 /nfs/dbraw/zinc/34/97/55/531349755.db2.gz VZSOVOWJQCVJHO-QWRGUYRKSA-N 1 0 390.303 1.956 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)c2sc(C)cc2Br)[C@H](C[NH3+])C1 ZINC000440865849 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GMHMCLFFRLNJST-SWLSCSKDSA-N 1 0 385.917 1.997 20 0 GDADRO CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000278208320 531343561 /nfs/dbraw/zinc/34/35/61/531343561.db2.gz HPPRWQLPZRHQFV-CQSZACIVSA-N 1 0 383.290 1.757 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c(OC)cc1Br ZINC000440809190 531344623 /nfs/dbraw/zinc/34/46/23/531344623.db2.gz MCJIHWZNXDRCFE-ZJUUUORDSA-N 1 0 393.303 1.837 20 0 GDADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000278239414 531345401 /nfs/dbraw/zinc/34/54/01/531345401.db2.gz LEBLOXKWMNBCHG-MWLCHTKSSA-N 1 0 384.221 1.809 20 0 GDADRO COC(=O)[C@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000411910387 531346342 /nfs/dbraw/zinc/34/63/42/531346342.db2.gz GNJZDEHMVFLCIV-TZMCWYRMSA-N 1 0 384.274 1.012 20 0 GDADRO COC(=O)[C@H]1CN(C)CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000411913991 531346720 /nfs/dbraw/zinc/34/67/20/531346720.db2.gz JQZDJJAVALXBPE-ZDUSSCGKSA-N 1 0 398.301 1.814 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)s1 ZINC000440811748 531346755 /nfs/dbraw/zinc/34/67/55/531346755.db2.gz YZVQKQYOHIVIJY-CYBMUJFWSA-N 1 0 387.571 1.873 20 0 GDADRO C[NH+]1CCC(CC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000292288269 531346938 /nfs/dbraw/zinc/34/69/38/531346938.db2.gz VEADEYXMOAVIQL-UHFFFAOYSA-N 1 0 379.935 1.528 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000440835154 531347295 /nfs/dbraw/zinc/34/72/95/531347295.db2.gz UGCKSDFIDHSULZ-KOLCDFICSA-N 1 0 390.303 1.765 20 0 GDADRO O=S(=O)(CC[NH2+][C@H](CO)[C@@H]1CCCOC1)c1ccc(Br)cc1 ZINC000411991518 531354851 /nfs/dbraw/zinc/35/48/51/531354851.db2.gz XWVTXMODWOHCLJ-IUODEOHRSA-N 1 0 392.315 1.600 20 0 GDADRO O=S(=O)(CC[NH2+][C@H](CO)[C@H]1CCCOC1)c1cccc(Br)c1 ZINC000411995487 531355051 /nfs/dbraw/zinc/35/50/51/531355051.db2.gz PWQSKBYQNIHPOF-SWLSCSKDSA-N 1 0 392.315 1.600 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000411987402 531355156 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GDADRO CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000411960406 531352805 /nfs/dbraw/zinc/35/28/05/531352805.db2.gz WQKSVKFSFPXBMF-NSHDSACASA-N 1 0 388.331 1.879 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441834966 531364625 /nfs/dbraw/zinc/36/46/25/531364625.db2.gz UFDCIMXDJCICPY-UHFFFAOYSA-N 1 0 390.253 1.530 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000266720769 531365171 /nfs/dbraw/zinc/36/51/71/531365171.db2.gz MCNCDJBYSYHLHD-AWEZNQCLSA-N 1 0 383.901 1.716 20 0 GDADRO CNc1cc(I)ccc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000412207388 531360705 /nfs/dbraw/zinc/36/07/05/531360705.db2.gz NMRZWEXRHGYAFK-AWEZNQCLSA-N 1 0 391.253 1.375 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000266659236 531360888 /nfs/dbraw/zinc/36/08/88/531360888.db2.gz OLFDKPLFKJRODR-CYBMUJFWSA-N 1 0 384.274 1.533 20 0 GDADRO CS(=O)(=O)c1ccc(OCCCN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000528777252 531373927 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O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000528689169 531373143 /nfs/dbraw/zinc/37/31/43/531373143.db2.gz OPQJNHOCGYDGBW-CQSZACIVSA-N 1 0 394.273 1.804 20 0 GDADRO Cn1ncc(I)c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000292924022 531388455 /nfs/dbraw/zinc/38/84/55/531388455.db2.gz WPDFHXDTMJQZFJ-NXEZZACHSA-N 1 0 376.242 1.627 20 0 GDADRO Cn1ncc(I)c1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000292924025 531388924 /nfs/dbraw/zinc/38/89/24/531388924.db2.gz WPDFHXDTMJQZFJ-UWVGGRQHSA-N 1 0 376.242 1.627 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CCSC1 ZINC000267062007 531392338 /nfs/dbraw/zinc/39/23/38/531392338.db2.gz BSWFZKSIZSGDPS-OAHLLOKOSA-N 1 0 375.491 1.364 20 0 GDADRO CC(=O)NC1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000442874278 531378625 /nfs/dbraw/zinc/37/86/25/531378625.db2.gz TVXJRAPBHXXXOV-UHFFFAOYSA-N 1 0 375.441 1.280 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442863145 531378819 /nfs/dbraw/zinc/37/88/19/531378819.db2.gz QAYWOCGINJNPKA-SNVBAGLBSA-N 1 0 386.898 1.170 20 0 GDADRO COc1cc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)ccc1S(=O)(=O)C(F)F ZINC000278675146 531379010 /nfs/dbraw/zinc/37/90/10/531379010.db2.gz GAYAXCPJMFAKLE-MMPTUQATSA-N 1 0 379.425 1.882 20 0 GDADRO Cc1c(C(=O)NCCCC[NH+](C)C)cc(Br)cc1S(N)(=O)=O ZINC000266974367 531381507 /nfs/dbraw/zinc/38/15/07/531381507.db2.gz CSRNACGCNZKKOM-UHFFFAOYSA-N 1 0 392.319 1.477 20 0 GDADRO [NH3+]CC1(NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CCOCC1 ZINC000529304122 531381699 /nfs/dbraw/zinc/38/16/99/531381699.db2.gz UKPDAKNIFZQICZ-AWEZNQCLSA-N 1 0 397.317 1.835 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)CCC(=O)N2CCc3sccc3C2)CCSC1 ZINC000267094578 531397034 /nfs/dbraw/zinc/39/70/34/531397034.db2.gz JDHBZDZEAOFTPW-GOSISDBHSA-N 1 0 381.567 1.967 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cnn(C)c2I)C1 ZINC000293068813 531398443 /nfs/dbraw/zinc/39/84/43/531398443.db2.gz BLHNXGFMRHVFSV-NSHDSACASA-N 1 0 390.269 1.829 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)s1 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20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c(Br)n1 ZINC000293253156 531411840 /nfs/dbraw/zinc/41/18/40/531411840.db2.gz PHYJTVSAHCHYDS-INIZCTEOSA-N 1 0 381.274 1.645 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(S(=O)(=O)NC)s2)C[C@@H]1C ZINC000483677407 531412859 /nfs/dbraw/zinc/41/28/59/531412859.db2.gz BQNJFIAXUSYTPJ-QWHCGFSZSA-N 1 0 388.559 1.670 20 0 GDADRO COCCN(C(=O)N[C@@H](C)C[NH+]1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000483623854 531413593 /nfs/dbraw/zinc/41/35/93/531413593.db2.gz NBKNPPIMEJPEKN-HOTGVXAUSA-N 1 0 375.535 1.096 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc2nccnc2c1Br)C[NH+](C)C ZINC000293307746 531414989 /nfs/dbraw/zinc/41/49/89/531414989.db2.gz WZLUILGRZGMHSR-JTQLQIEISA-N 1 0 394.273 1.645 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Cc2cscc2Br)CC[N@H+](C)C1 ZINC000413889701 531420059 /nfs/dbraw/zinc/42/00/59/531420059.db2.gz AHQNSRBIZOKOTH-NSHDSACASA-N 1 0 375.288 1.616 20 0 GDADRO Cc1c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc(Br)cc1S(N)(=O)=O ZINC000484646201 531420960 /nfs/dbraw/zinc/42/09/60/531420960.db2.gz UBBWWCBCUWOBDH-UWVGGRQHSA-N 1 0 390.303 1.214 20 0 GDADRO CS[C@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484628812 531421668 /nfs/dbraw/zinc/42/16/68/531421668.db2.gz ZVPVVAPFKPMSRE-ROUUACIJSA-N 1 0 383.583 1.949 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000413801013 531418504 /nfs/dbraw/zinc/41/85/04/531418504.db2.gz QXBXLMLDSSUGMU-ZBFHGGJFSA-N 1 0 383.286 1.716 20 0 GDADRO CS[C@H]1CN(C(=O)c2cnn(C)c2I)C[C@@H]1[NH+](C)C ZINC000293464022 531423707 /nfs/dbraw/zinc/42/37/07/531423707.db2.gz NPHURLGDVRSLAQ-UWVGGRQHSA-N 1 0 394.282 1.142 20 0 GDADRO COCC[NH+]1CCC(NC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)CC1 ZINC000279280942 531423794 /nfs/dbraw/zinc/42/37/94/531423794.db2.gz XNAVUBVYZRIMEX-UHFFFAOYSA-N 1 0 395.934 1.198 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnn(C)c1I ZINC000293522875 531425880 /nfs/dbraw/zinc/42/58/80/531425880.db2.gz OYNAOINNASPNPQ-SNVBAGLBSA-N 1 0 376.242 1.629 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)c(C)s1 ZINC000532941314 531426726 /nfs/dbraw/zinc/42/67/26/531426726.db2.gz XCWRSZGXKHRGRQ-LBPRGKRZSA-N 1 0 388.559 1.379 20 0 GDADRO CN(CC[NH2+]Cc1ccc2c(c1)NC(=O)CO2)S(=O)(=O)c1cccs1 ZINC000293539400 531427091 /nfs/dbraw/zinc/42/70/91/531427091.db2.gz FUGCQOQPPPLOQX-UHFFFAOYSA-N 1 0 381.479 1.489 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000447247850 531423317 /nfs/dbraw/zinc/42/33/17/531423317.db2.gz SFFDAPWFTGKEHF-QWRGUYRKSA-N 1 0 379.404 1.337 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]C2CN(S(=O)(=O)c3ccc(OC)cc3)C2)[C@H]1SC ZINC000485249317 531431310 /nfs/dbraw/zinc/43/13/10/531431310.db2.gz VZCBISUTXZQFOL-BRWVUGGUSA-N 1 0 386.539 1.567 20 0 GDADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000293556708 531428192 /nfs/dbraw/zinc/42/81/92/531428192.db2.gz CGQUQBBLKQWEKJ-BXUZGUMPSA-N 1 0 399.285 1.747 20 0 GDADRO C[C@H]1C[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H](C)S1 ZINC000533291553 531429657 /nfs/dbraw/zinc/42/96/57/531429657.db2.gz GMLNIEDUZHUHOC-KBPBESRZSA-N 1 0 385.555 1.209 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)s1 ZINC000414267614 531436965 /nfs/dbraw/zinc/43/69/65/531436965.db2.gz IUYMJRYSVAAXIB-MRXNPFEDSA-N 1 0 380.535 1.660 20 0 GDADRO C[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C[NH+](C)C ZINC000293615106 531432240 /nfs/dbraw/zinc/43/22/40/531432240.db2.gz BSGYYMXIYKODKK-LBPRGKRZSA-N 1 0 391.331 1.678 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)C1 ZINC000414172240 531432460 /nfs/dbraw/zinc/43/24/60/531432460.db2.gz DNNBIOBYXHMGMM-SWLSCSKDSA-N 1 0 394.306 1.906 20 0 GDADRO CSCC[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C(=O)N(C)C ZINC000414172047 531432816 /nfs/dbraw/zinc/43/28/16/531432816.db2.gz YEEGCKTWYZYREM-AAEUAGOBSA-N 1 0 390.347 1.799 20 0 GDADRO CN(C)S(=O)(=O)CCCS(=O)(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000447762563 531433504 /nfs/dbraw/zinc/43/35/04/531433504.db2.gz FQLPNYOPCASNHN-UHFFFAOYSA-N 1 0 397.607 1.042 20 0 GDADRO OC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000447924615 531441451 /nfs/dbraw/zinc/44/14/51/531441451.db2.gz WVYFCLXKPFBHCV-CORIIIEPSA-N 1 0 394.693 1.972 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c(C)s1 ZINC000485956587 531441978 /nfs/dbraw/zinc/44/19/78/531441978.db2.gz MZNUQDNHXBTLGA-DOMZBBRYSA-N 1 0 385.555 1.396 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414324374 531440209 /nfs/dbraw/zinc/44/02/09/531440209.db2.gz WPVRSHVABRIANG-CYBMUJFWSA-N 1 0 390.347 1.918 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1ccnn1-c1ccccc1)c1cccs1 ZINC000447894687 531440559 /nfs/dbraw/zinc/44/05/59/531440559.db2.gz FAVSOXPSHUJGLF-MRXNPFEDSA-N 1 0 377.491 1.858 20 0 GDADRO Cc1nn(C)c(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1Br ZINC000447899340 531440598 /nfs/dbraw/zinc/44/05/98/531440598.db2.gz SKVVUCHCNOJXDV-MNOVXSKESA-N 1 0 379.324 1.299 20 0 GDADRO Cc1cc(C[C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[nH]n1 ZINC000414384718 531447198 /nfs/dbraw/zinc/44/71/98/531447198.db2.gz VVJGHKPUYBRFSM-VIFPVBQESA-N 1 0 387.303 1.849 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000361273660 531447842 /nfs/dbraw/zinc/44/78/42/531447842.db2.gz XHOYSBYIVPGGQO-OAHLLOKOSA-N 1 0 375.535 1.647 20 0 GDADRO CCC[C@H](CCO)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414361818 531443617 /nfs/dbraw/zinc/44/36/17/531443617.db2.gz UCDDBQXVHJGISI-LLVKDONJSA-N 1 0 379.320 1.985 20 0 GDADRO C[N@H+](CC(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1)[C@@H]1CCSC1 ZINC000486422218 531450851 /nfs/dbraw/zinc/45/08/51/531450851.db2.gz LALJMAMYGBBYAO-CQSZACIVSA-N 1 0 383.539 1.380 20 0 GDADRO CC[C@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@@H]1O ZINC000536370341 531451024 /nfs/dbraw/zinc/45/10/24/531451024.db2.gz WQJNQMLIMZZBAC-BBRMVZONSA-N 1 0 385.302 1.989 20 0 GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cnn(C)c1I ZINC000293925856 531452452 /nfs/dbraw/zinc/45/24/52/531452452.db2.gz GZSWJNBAULODSS-CMPLNLGQSA-N 1 0 388.253 1.724 20 0 GDADRO CCOC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000486533778 531454240 /nfs/dbraw/zinc/45/42/40/531454240.db2.gz HQQFFZHNNPJDAH-HUUCEWRRSA-N 1 0 390.502 1.669 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C1CC1 ZINC000537071057 531455125 /nfs/dbraw/zinc/45/51/25/531455125.db2.gz CXWGCVQVZSADIL-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO C[N@H+](CC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)[C@@H]1CCSC1 ZINC000486589451 531455853 /nfs/dbraw/zinc/45/58/53/531455853.db2.gz YINZICZIRRAOJL-OCCSQVGLSA-N 1 0 386.315 1.529 20 0 GDADRO COC(=O)[C@@H]1CN(Cc2cnc3ccc(Br)cn23)CC[N@H+](C)C1 ZINC000414479962 531457889 /nfs/dbraw/zinc/45/78/89/531457889.db2.gz AFVMQQGEALWAPA-LBPRGKRZSA-N 1 0 381.274 1.633 20 0 GDADRO CCOC(=O)c1nn(C)cc1CNc1cc(N(C)C)c(Br)c[nH+]1 ZINC000449642661 531473333 /nfs/dbraw/zinc/47/33/33/531473333.db2.gz GXOMLQXFLSLZDE-UHFFFAOYSA-N 1 0 382.262 2.432 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000415309916 531473412 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C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000487598220 531475807 /nfs/dbraw/zinc/47/58/07/531475807.db2.gz NEBNQIWKBYTCQB-DFBGVHRSSA-N 1 0 380.286 1.646 20 0 GDADRO Cc1nnc(Sc2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c(C)c2)s1 ZINC000415336762 531476533 /nfs/dbraw/zinc/47/65/33/531476533.db2.gz WGCQGNGQIMYPHI-NSHDSACASA-N 1 0 377.495 1.723 20 0 GDADRO Cc1cc(Cl)c(NC(=O)C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1Cl ZINC000415335092 531476862 /nfs/dbraw/zinc/47/68/62/531476862.db2.gz RQTONODKFDTHCC-UHFFFAOYSA-N 1 0 387.267 1.131 20 0 GDADRO COC(=O)[C@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)CC[N@H+](C)C1 ZINC000414484385 531458451 /nfs/dbraw/zinc/45/84/51/531458451.db2.gz GRKREQUJFBKINI-CYBMUJFWSA-N 1 0 399.285 1.757 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000362294068 531459481 /nfs/dbraw/zinc/45/94/81/531459481.db2.gz RDDLOKVIMZYAGU-LBPRGKRZSA-N 1 0 381.274 1.869 20 0 GDADRO CC[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000294070508 531460726 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Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000280016029 531466834 /nfs/dbraw/zinc/46/68/34/531466834.db2.gz FDIPGXFYOSTDBM-GFCCVEGCSA-N 1 0 394.317 1.771 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[S@](C)=O ZINC000449164007 531467702 /nfs/dbraw/zinc/46/77/02/531467702.db2.gz XTIOXSQQNIBGAZ-SAHAZLINSA-N 1 0 391.331 1.821 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449285029 531468381 /nfs/dbraw/zinc/46/83/81/531468381.db2.gz QLWFWXYEZYKFHJ-CYBMUJFWSA-N 1 0 394.310 1.998 20 0 GDADRO OCCC[N@@H+]1CCC[C@H]1CNCc1ncc(I)s1 ZINC000449389226 531469992 /nfs/dbraw/zinc/46/99/92/531469992.db2.gz RTIDAFKVVUVWKM-JTQLQIEISA-N 1 0 381.283 1.684 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415350316 531477692 /nfs/dbraw/zinc/47/76/92/531477692.db2.gz MXOSSMVGZLVZSO-LLVKDONJSA-N 1 0 386.246 1.817 20 0 GDADRO Cc1ccc(Br)c(NC(=O)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000415284586 531471393 /nfs/dbraw/zinc/47/13/93/531471393.db2.gz QBKXXJZBYBZYKS-UHFFFAOYSA-N 1 0 383.290 1.108 20 0 GDADRO O=C(Nc1ccc(OC(F)(F)F)cc1Br)C(=O)N1CC[NH2+]CC1 ZINC000415283638 531471423 /nfs/dbraw/zinc/47/14/23/531471423.db2.gz UGOKIWJIABSBPN-UHFFFAOYSA-N 1 0 396.163 1.718 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)N2CC[NH2+]CC2)c(I)c1 ZINC000415285172 531471583 /nfs/dbraw/zinc/47/15/83/531471583.db2.gz QZUZORFAWANKSP-UHFFFAOYSA-N 1 0 391.184 1.109 20 0 GDADRO CCOc1cc(Br)c(NC(=O)C(=O)NCCC[NH3+])cc1OCC ZINC000415289135 531471895 /nfs/dbraw/zinc/47/18/95/531471895.db2.gz AUYZZLBXMKNQMB-UHFFFAOYSA-N 1 0 388.262 1.650 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415295392 531472257 /nfs/dbraw/zinc/47/22/57/531472257.db2.gz ALFQMCGGCUDWJL-UHFFFAOYSA-N 1 0 388.251 1.916 20 0 GDADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415302790 531472279 /nfs/dbraw/zinc/47/22/79/531472279.db2.gz CPUUZKQRMHTMFH-ZDUSSCGKSA-N 1 0 382.917 1.700 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2I)C1 ZINC000415293724 531472589 /nfs/dbraw/zinc/47/25/89/531472589.db2.gz NECJEJCYMRXZMJ-MRVPVSSYSA-N 1 0 393.612 1.443 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000415302401 531472703 /nfs/dbraw/zinc/47/27/03/531472703.db2.gz RCTVBZYPPOACGR-LLVKDONJSA-N 1 0 398.257 1.385 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)NCC(C)(C)[NH3+])c1 ZINC000415360689 531478971 /nfs/dbraw/zinc/47/89/71/531478971.db2.gz MQDWPUAAUGRVEN-UHFFFAOYSA-N 1 0 391.209 1.937 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000415365164 531479281 /nfs/dbraw/zinc/47/92/81/531479281.db2.gz IRZVBHRDFFBIMU-UHFFFAOYSA-N 1 0 390.209 1.039 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)NCC[C@H](C)[NH3+])c1 ZINC000415366941 531479964 /nfs/dbraw/zinc/47/99/64/531479964.db2.gz ZRFTWQBPBDHMAW-QMMMGPOBSA-N 1 0 391.209 1.937 20 0 GDADRO C[NH+](C)Cc1ccsc1C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000268160850 531480046 /nfs/dbraw/zinc/48/00/46/531480046.db2.gz SVLSTCIQNGBMDE-UHFFFAOYSA-N 1 0 381.523 1.659 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000415373759 531480356 /nfs/dbraw/zinc/48/03/56/531480356.db2.gz XFHVTIQXMAWBTE-UHFFFAOYSA-N 1 0 378.256 1.683 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)NC(C)(C)C[NH3+])c(I)c1 ZINC000415378410 531480468 /nfs/dbraw/zinc/48/04/68/531480468.db2.gz HREFWVALACSRMZ-UHFFFAOYSA-N 1 0 393.200 1.531 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)CC(C)C ZINC000488150204 531481281 /nfs/dbraw/zinc/48/12/81/531481281.db2.gz ZXPKMKIZWHGZPQ-CVEARBPZSA-N 1 0 376.567 1.418 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000415389250 531481311 /nfs/dbraw/zinc/48/13/11/531481311.db2.gz DUFZLHCZFUXCQY-SNVBAGLBSA-N 1 0 387.221 1.298 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CCn1cc(Br)ccc1=O ZINC000488152181 531481616 /nfs/dbraw/zinc/48/16/16/531481616.db2.gz QBRSGZHBGXAHMW-AWEZNQCLSA-N 1 0 388.306 1.474 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000415395382 531482227 /nfs/dbraw/zinc/48/22/27/531482227.db2.gz NRPWAMQCGGSMTD-UHFFFAOYSA-N 1 0 380.286 1.796 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415398420 531482291 /nfs/dbraw/zinc/48/22/91/531482291.db2.gz SJGVLHQGRFCJSM-MRVPVSSYSA-N 1 0 376.201 1.782 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2OC)C1 ZINC000415396927 531482293 /nfs/dbraw/zinc/48/22/93/531482293.db2.gz QPFCMWWSGAPBBL-LLVKDONJSA-N 1 0 384.274 1.773 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415398709 531482367 /nfs/dbraw/zinc/48/23/67/531482367.db2.gz SXLSLILAEJOMKB-MRVPVSSYSA-N 1 0 376.201 1.734 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415396484 531482408 /nfs/dbraw/zinc/48/24/08/531482408.db2.gz PNCLRGYNEXXQSM-NSHDSACASA-N 1 0 380.286 1.944 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000488239913 531483629 /nfs/dbraw/zinc/48/36/29/531483629.db2.gz RFQGNWZLPUVWEN-UHFFFAOYSA-N 1 0 398.301 1.827 20 0 GDADRO COC(=O)c1cc(NC(=O)NCCN2CC[NH2+]CC2)ccc1Br ZINC000415400484 531483523 /nfs/dbraw/zinc/48/35/23/531483523.db2.gz FSIZTRDRNFVOCN-UHFFFAOYSA-N 1 0 385.262 1.262 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1OC ZINC000415407246 531483569 /nfs/dbraw/zinc/48/35/69/531483569.db2.gz AZCZSPFPJQUTST-VIFPVBQESA-N 1 0 386.246 1.225 20 0 GDADRO Cc1cc(F)c(NC(=O)N(C)C[C@H](O)C[NH3+])c(I)c1 ZINC000415411804 531483826 /nfs/dbraw/zinc/48/38/26/531483826.db2.gz XFBCFGUGVFJOSZ-MRVPVSSYSA-N 1 0 381.189 1.522 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415412656 531483932 /nfs/dbraw/zinc/48/39/32/531483932.db2.gz HYQPWHJKZMHFBP-SNVBAGLBSA-N 1 0 384.267 2.089 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC[NH2+]1 ZINC000415433814 531486061 /nfs/dbraw/zinc/48/60/61/531486061.db2.gz MLMJVABWKVMUOD-SNVBAGLBSA-N 1 0 377.242 1.756 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1I ZINC000415441826 531486100 /nfs/dbraw/zinc/48/61/00/531486100.db2.gz AUEPRMYSJCTWAF-LBPRGKRZSA-N 1 0 387.221 1.392 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415432782 531486158 /nfs/dbraw/zinc/48/61/58/531486158.db2.gz GEJKUANTLJYSAL-NSHDSACASA-N 1 0 375.210 1.329 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000294579273 531486404 /nfs/dbraw/zinc/48/64/04/531486404.db2.gz KQJIVVUCAHBIBG-CYBMUJFWSA-N 1 0 393.289 1.005 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)CC[NH3+])cc1Cl ZINC000415552754 531493652 /nfs/dbraw/zinc/49/36/52/531493652.db2.gz NGTCVUMTUQVEGT-SECBINFHSA-N 1 0 378.256 1.811 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000280299387 531487230 /nfs/dbraw/zinc/48/72/30/531487230.db2.gz QQWDFINNAXBTON-MRVPVSSYSA-N 1 0 376.201 1.734 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000268233587 531487635 /nfs/dbraw/zinc/48/76/35/531487635.db2.gz SSQJSOVVRHLXPI-IAQYHMDHSA-N 1 0 380.286 1.778 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccsc2Br)CC1 ZINC000450143068 531487935 /nfs/dbraw/zinc/48/79/35/531487935.db2.gz DQVWFHOLKWUOFG-GFCCVEGCSA-N 1 0 386.315 1.889 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1Br ZINC000415549455 531493531 /nfs/dbraw/zinc/49/35/31/531493531.db2.gz GYCRJYAOQCWZDX-UHFFFAOYSA-N 1 0 381.274 1.693 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415465311 531489037 /nfs/dbraw/zinc/48/90/37/531489037.db2.gz FGBXTJQZHVUYTH-GFCCVEGCSA-N 1 0 392.257 1.523 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(I)c(F)cc2F)C1 ZINC000545153755 531489224 /nfs/dbraw/zinc/48/92/24/531489224.db2.gz VCBIIKUUQSJXFI-ZDUSSCGKSA-N 1 0 396.175 1.366 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415498445 531490598 /nfs/dbraw/zinc/49/05/98/531490598.db2.gz QIJKMKXZQAJVHB-VIFPVBQESA-N 1 0 376.201 1.876 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000450239892 531490782 /nfs/dbraw/zinc/49/07/82/531490782.db2.gz BRMGYUSZBJZQLS-UHFFFAOYSA-N 1 0 378.274 1.603 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415548938 531493643 /nfs/dbraw/zinc/49/36/43/531493643.db2.gz RRXCCNIRXIXZLO-UHFFFAOYSA-N 1 0 380.246 1.251 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415521162 531491746 /nfs/dbraw/zinc/49/17/46/531491746.db2.gz KGVNAVHIOLUMAC-AWEZNQCLSA-N 1 0 394.273 1.804 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415519079 531491770 /nfs/dbraw/zinc/49/17/70/531491770.db2.gz JILWYJKORKCBJL-QWRGUYRKSA-N 1 0 384.274 1.982 20 0 GDADRO Cn1ncc(Br)c1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000450288297 531492179 /nfs/dbraw/zinc/49/21/79/531492179.db2.gz SUJMRGMHDYNHEE-UONOGXRCSA-N 1 0 393.285 1.548 20 0 GDADRO O=C(C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)NCC(F)F ZINC000280391352 531492431 /nfs/dbraw/zinc/49/24/31/531492431.db2.gz WTPKXXCPAVNERC-UHFFFAOYSA-N 1 0 392.244 1.757 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1)C1CC1 ZINC000415539248 531492663 /nfs/dbraw/zinc/49/26/63/531492663.db2.gz LNGUHSMYWWCYMO-CYBMUJFWSA-N 1 0 382.917 1.685 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415544465 531492746 /nfs/dbraw/zinc/49/27/46/531492746.db2.gz UGTIFYZGURVNLX-NWDGAFQWSA-N 1 0 397.317 1.645 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c1Br ZINC000415544326 531492861 /nfs/dbraw/zinc/49/28/61/531492861.db2.gz ZWHCSRQBWDSAGD-JTQLQIEISA-N 1 0 384.230 1.028 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415662377 531510536 /nfs/dbraw/zinc/51/05/36/531510536.db2.gz RJQVSMFEAIUWKR-CABZTGNLSA-N 1 0 387.221 1.344 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[NH2+]1 ZINC000415660903 531510920 /nfs/dbraw/zinc/51/09/20/531510920.db2.gz OJFRDILMZGBMHK-YUMQZZPRSA-N 1 0 376.201 1.923 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)ncc1Br ZINC000415678346 531512380 /nfs/dbraw/zinc/51/23/80/531512380.db2.gz PZBAGBCBNILBHO-GFCCVEGCSA-N 1 0 383.290 1.985 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](CC[NH3+])C(F)F)c(C)c1 ZINC000581725989 531512827 /nfs/dbraw/zinc/51/28/27/531512827.db2.gz SRFNURZXXXTKDV-ZDUSSCGKSA-N 1 0 377.457 1.379 20 0 GDADRO C[C@@H](NC(=O)c1c(Br)cnn1C)C1(N2CCOCC2)CCCC1 ZINC000295012533 531513015 /nfs/dbraw/zinc/51/30/15/531513015.db2.gz PZHMFRUTNDNETI-GFCCVEGCSA-N 1 0 385.306 1.946 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)cc1Br ZINC000658540726 531513629 /nfs/dbraw/zinc/51/36/29/531513629.db2.gz YLCVGIGSPKNPEP-UHFFFAOYSA-N 1 0 397.317 1.469 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000415691330 531515311 /nfs/dbraw/zinc/51/53/11/531515311.db2.gz YDWWAFNSAUEYBX-NSHDSACASA-N 1 0 386.294 1.658 20 0 GDADRO OC1CC[NH+](CCNc2ncnc3cccc(I)c32)CC1 ZINC000450878444 531515588 /nfs/dbraw/zinc/51/55/88/531515588.db2.gz YOHKYRGUMHRWKN-UHFFFAOYSA-N 1 0 398.248 2.103 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)Nc1ccccc1Cl ZINC000415694363 531515779 /nfs/dbraw/zinc/51/57/79/531515779.db2.gz PHQHVDOAZGXATN-GFCCVEGCSA-N 1 0 378.782 1.231 20 0 GDADRO COC(=O)c1cc(NC(=O)NC[C@@H]2C[NH2+]CCO2)c(C)cc1Br ZINC000415711148 531517043 /nfs/dbraw/zinc/51/70/43/531517043.db2.gz RZAQJGLBKFOOBX-JTQLQIEISA-N 1 0 386.246 1.654 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2c(F)cccc2Br)CCC[NH2+]1 ZINC000415709720 531517116 /nfs/dbraw/zinc/51/71/16/531517116.db2.gz QBXCQIUZUFINHO-HNNXBMFYSA-N 1 0 388.237 1.412 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000415711519 531518212 /nfs/dbraw/zinc/51/82/12/531518212.db2.gz SMUXYFDAUPRJBL-OAHLLOKOSA-N 1 0 395.301 1.202 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1Br ZINC000415545552 531493821 /nfs/dbraw/zinc/49/38/21/531493821.db2.gz WIYNAAZDZFPZNC-NXEZZACHSA-N 1 0 398.257 1.370 20 0 GDADRO C[C@H]1CN(C(=O)c2c(Br)cnn2C)CCN1C1CC[NH+](C)CC1 ZINC000450363633 531494103 /nfs/dbraw/zinc/49/41/03/531494103.db2.gz KXGDATFIESEDIS-LBPRGKRZSA-N 1 0 384.322 1.423 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)C1 ZINC000415556298 531494461 /nfs/dbraw/zinc/49/44/61/531494461.db2.gz CINHRQQKWDDTEC-UWVGGRQHSA-N 1 0 381.889 1.936 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415558544 531494670 /nfs/dbraw/zinc/49/46/70/531494670.db2.gz FHAARDVPPPHQAL-UHFFFAOYSA-N 1 0 395.628 1.738 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000581511689 531496555 /nfs/dbraw/zinc/49/65/55/531496555.db2.gz YLYQJTUCLKRHSC-CYBMUJFWSA-N 1 0 385.921 1.587 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415575795 531496748 /nfs/dbraw/zinc/49/67/48/531496748.db2.gz XKPJPECSCNEAAV-GHMZBOCLSA-N 1 0 387.889 1.281 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415715417 531518863 /nfs/dbraw/zinc/51/88/63/531518863.db2.gz AMKXZPAWROYJHG-AAEUAGOBSA-N 1 0 395.301 1.936 20 0 GDADRO COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCN(S(=O)(=O)C(C)C)C[C@H]1C ZINC000657947738 531499306 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COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c1OC ZINC000581607025 531503713 /nfs/dbraw/zinc/50/37/13/531503713.db2.gz BHIHRJQCAQQMIO-SNVBAGLBSA-N 1 0 390.889 1.883 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000548106517 531503735 /nfs/dbraw/zinc/50/37/35/531503735.db2.gz ZGHYOOVJSAOXIK-XHDPSFHLSA-N 1 0 380.286 1.778 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1nc2c(s1)COCC2 ZINC000556958658 531504209 /nfs/dbraw/zinc/50/42/09/531504209.db2.gz ZLZIISLUCKWZAK-LLVKDONJSA-N 1 0 379.408 1.173 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000658412222 531505582 /nfs/dbraw/zinc/50/55/82/531505582.db2.gz VJUQAJFTPBWVCP-JTQLQIEISA-N 1 0 381.292 1.361 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415646761 531506475 /nfs/dbraw/zinc/50/64/75/531506475.db2.gz DDDNURVATJSQHN-LURJTMIESA-N 1 0 381.601 1.347 20 0 GDADRO CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(Cl)s1 ZINC000581661747 531506601 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C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280533754 531509128 /nfs/dbraw/zinc/50/91/28/531509128.db2.gz HISRPTNWEILNFA-SKDRFNHKSA-N 1 0 390.303 1.416 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(I)c1 ZINC000415664004 531510256 /nfs/dbraw/zinc/51/02/56/531510256.db2.gz ZPZTXIDXKBLNNY-SECBINFHSA-N 1 0 375.210 1.344 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000658428919 531510518 /nfs/dbraw/zinc/51/05/18/531510518.db2.gz PPAJAZFGDGNLBQ-UHFFFAOYSA-N 1 0 399.333 1.696 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O)c1ccsc1 ZINC000557764901 531520520 /nfs/dbraw/zinc/52/05/20/531520520.db2.gz GKTHNMIWCJXKFK-CABCVRRESA-N 1 0 388.559 1.464 20 0 GDADRO COCCN(CCOC)S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000490173492 531521955 /nfs/dbraw/zinc/52/19/55/531521955.db2.gz VUMQZXJIRHSERS-OAHLLOKOSA-N 1 0 391.559 1.314 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415762709 531524773 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CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000658779397 531529805 /nfs/dbraw/zinc/52/98/05/531529805.db2.gz PLUCTYMDHVRYBQ-CQSZACIVSA-N 1 0 380.286 1.939 20 0 GDADRO CSCC[C@H]([NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)C(=O)N(C)C ZINC000550819532 531529896 /nfs/dbraw/zinc/52/98/96/531529896.db2.gz WXLSPNFLJXGKSU-CVEARBPZSA-N 1 0 385.555 1.511 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415785608 531530216 /nfs/dbraw/zinc/53/02/16/531530216.db2.gz IHENGBQFSGGZIW-VIFPVBQESA-N 1 0 394.216 1.885 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415797296 531532789 /nfs/dbraw/zinc/53/27/89/531532789.db2.gz ZYGIPXKQNGQKSY-JTQLQIEISA-N 1 0 394.216 1.885 20 0 GDADRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280725109 531531135 /nfs/dbraw/zinc/53/11/35/531531135.db2.gz NMZPNOVBAPKGMA-NOZJJQNGSA-N 1 0 395.344 1.615 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])cc(Br)c1F ZINC000415789426 531532091 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GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000415839734 531540261 /nfs/dbraw/zinc/54/02/61/531540261.db2.gz ORZGRSRXNVOVTQ-YUMQZZPRSA-N 1 0 376.201 1.909 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1F)C(F)(F)F ZINC000415837003 531540670 /nfs/dbraw/zinc/54/06/70/531540670.db2.gz NBVQZSOEBMCAHQ-SECBINFHSA-N 1 0 386.143 1.923 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659100694 531541694 /nfs/dbraw/zinc/54/16/94/531541694.db2.gz ZDYUURBBKQEVMS-UHFFFAOYSA-N 1 0 382.258 1.654 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659108697 531542308 /nfs/dbraw/zinc/54/23/08/531542308.db2.gz SCDNMPMKPGYBOV-MWLCHTKSSA-N 1 0 376.201 1.733 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415849237 531543806 /nfs/dbraw/zinc/54/38/06/531543806.db2.gz YVPJPRPJNUXBFX-VHSXEESVSA-N 1 0 381.889 1.984 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280820740 531544403 /nfs/dbraw/zinc/54/44/03/531544403.db2.gz NIFQLANTJJKKCC-IGCXYCKISA-N 1 0 383.286 1.695 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280820742 531544693 /nfs/dbraw/zinc/54/46/93/531544693.db2.gz NIFQLANTJJKKCC-IIYDPXPESA-N 1 0 383.286 1.695 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000659681881 531553433 /nfs/dbraw/zinc/55/34/33/531553433.db2.gz CXQGYLZPEQEKON-LBPRGKRZSA-N 1 0 384.274 1.585 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415865743 531546807 /nfs/dbraw/zinc/54/68/07/531546807.db2.gz ZQHLVBPPZPPQLH-SECBINFHSA-N 1 0 389.681 1.061 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000582295706 531547988 /nfs/dbraw/zinc/54/79/88/531547988.db2.gz UHFPLHKZQSFVRZ-HUUCEWRRSA-N 1 0 396.285 1.158 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)N(C)CC[NH3+])c1C ZINC000415879001 531548604 /nfs/dbraw/zinc/54/86/04/531548604.db2.gz OESJGABVJDOSES-UHFFFAOYSA-N 1 0 394.273 1.607 20 0 GDADRO [NH3+]CC(=O)NCC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000364246441 531548962 /nfs/dbraw/zinc/54/89/62/531548962.db2.gz ISKAJOWATBWCNM-UHFFFAOYSA-N 1 0 387.267 1.245 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1c(Br)cc(F)cc1Br ZINC000415883046 531549424 /nfs/dbraw/zinc/54/94/24/531549424.db2.gz ZAVWSRIUYWQTGW-UHFFFAOYSA-N 1 0 397.042 1.706 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000491238262 531549395 /nfs/dbraw/zinc/54/93/95/531549395.db2.gz UXKGPFFWZFBVNK-CQSZACIVSA-N 1 0 389.543 1.138 20 0 GDADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCc2cc(Br)cc(F)c21 ZINC000582594309 531549782 /nfs/dbraw/zinc/54/97/82/531549782.db2.gz JNKQYMUTGLXBGR-BXUZGUMPSA-N 1 0 396.260 1.688 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415893298 531549932 /nfs/dbraw/zinc/54/99/32/531549932.db2.gz MXEDZSUFWLDVPU-NWDGAFQWSA-N 1 0 396.285 1.854 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000415886436 531549943 /nfs/dbraw/zinc/54/99/43/531549943.db2.gz KLFDTCCLKNEHCJ-UHFFFAOYSA-N 1 0 384.274 1.262 20 0 GDADRO Cn1cc(Br)cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1=O ZINC000364293673 531551804 /nfs/dbraw/zinc/55/18/04/531551804.db2.gz BSNNFRQKXAVTCO-RYUDHWBXSA-N 1 0 385.262 1.133 20 0 GDADRO CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000416015351 531552122 /nfs/dbraw/zinc/55/21/22/531552122.db2.gz WDOGIIWTAPYQFD-RYUDHWBXSA-N 1 0 382.408 1.364 20 0 GDADRO C[NH2+]Cc1cccc(NC(=O)NCCN(C)S(=O)(=O)c2cccs2)c1 ZINC000415944231 531552752 /nfs/dbraw/zinc/55/27/52/531552752.db2.gz OFNKOUHEGLQYMM-UHFFFAOYSA-N 1 0 382.511 1.910 20 0 GDADRO CC(=O)N[C@H](CC(=O)N1CCO[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000364306663 531552954 /nfs/dbraw/zinc/55/29/54/531552954.db2.gz WDFABCXQPSHFHO-HUUCEWRRSA-N 1 0 384.274 1.203 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC12CCOCC2 ZINC000415813945 531535260 /nfs/dbraw/zinc/53/52/60/531535260.db2.gz CSRWXYRSPIYBSF-LBPRGKRZSA-N 1 0 396.285 1.602 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000415819673 531535465 /nfs/dbraw/zinc/53/54/65/531535465.db2.gz JELYXCZPOGOHDV-STQMWFEESA-N 1 0 395.301 1.939 20 0 GDADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)c2csnn2)c1 ZINC000552765181 531558061 /nfs/dbraw/zinc/55/80/61/531558061.db2.gz FLCWSGJCEQEDOT-UHFFFAOYSA-N 1 0 383.499 1.411 20 0 GDADRO CC(=O)Nc1nnc(SCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000552740996 531558375 /nfs/dbraw/zinc/55/83/75/531558375.db2.gz SJHZTBFWLWLGHY-GFCCVEGCSA-N 1 0 387.531 1.062 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000659751913 531559622 /nfs/dbraw/zinc/55/96/22/531559622.db2.gz XGYOBXDYDSOIIG-DOMZBBRYSA-N 1 0 397.317 1.576 20 0 GDADRO O=C(CNC(=O)c1cc2cccc(Cl)c2s1)NCCN1CCOCC1 ZINC000583085955 531563770 /nfs/dbraw/zinc/56/37/70/531563770.db2.gz SIVYVGDEESGAPT-UHFFFAOYSA-N 1 0 381.885 1.733 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)CC1 ZINC000416176486 531565683 /nfs/dbraw/zinc/56/56/83/531565683.db2.gz DJCSWIUANNHNBZ-HOTGVXAUSA-N 1 0 376.563 1.653 20 0 GDADRO CO[C@H]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@@H](C[NH3+])C1 ZINC000582720103 531553810 /nfs/dbraw/zinc/55/38/10/531553810.db2.gz FOZKBXCABKVSCN-OLZOCXBDSA-N 1 0 399.285 1.728 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)NCCn1cc(Br)ccc1=O)C(F)(F)F ZINC000416039288 531553853 /nfs/dbraw/zinc/55/38/53/531553853.db2.gz GITMUXOMOFSDCA-SECBINFHSA-N 1 0 385.184 1.190 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)Oc1cccc(Br)c1 ZINC000659701658 531554568 /nfs/dbraw/zinc/55/45/68/531554568.db2.gz IGZUUORKKQMTLT-ZBFVHZJFSA-N 1 0 396.285 1.201 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000659709266 531554767 /nfs/dbraw/zinc/55/47/67/531554767.db2.gz AYJYUTBWHFQWGH-UHFFFAOYSA-N 1 0 387.311 1.758 20 0 GDADRO C[C@@H](C[NH3+])NS(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000492776559 531569756 /nfs/dbraw/zinc/56/97/56/531569756.db2.gz UKEVVYYBTZQREP-YFKPBYRVSA-N 1 0 390.072 1.976 20 0 GDADRO CCN(CCC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1)S(C)(=O)=O ZINC000268789237 531568395 /nfs/dbraw/zinc/56/83/95/531568395.db2.gz LJSYLMVLVZDKHA-AWEZNQCLSA-N 1 0 391.559 1.770 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc2c(Cl)ccnc21)N1CC[NH+](C)CC1 ZINC000451240171 531573156 /nfs/dbraw/zinc/57/31/56/531573156.db2.gz YZFKTPLOMULQDU-ZDUSSCGKSA-N 1 0 382.917 1.802 20 0 GDADRO CCCCS(=O)(=O)N1CCC(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000493741226 531578940 /nfs/dbraw/zinc/57/89/40/531578940.db2.gz PXNAMXWULXIBJM-QGZVFWFLSA-N 1 0 375.579 1.921 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000364582992 531580020 /nfs/dbraw/zinc/58/00/20/531580020.db2.gz RVVHMKXKYBPTDI-CQSZACIVSA-N 1 0 387.933 1.749 20 0 GDADRO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](CCCS(N)(=O)=O)C2)CC1 ZINC000364627181 531582704 /nfs/dbraw/zinc/58/27/04/531582704.db2.gz YVIVUNLIIFSEGX-UHFFFAOYSA-N 1 0 375.535 1.778 20 0 GDADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000660009778 531584040 /nfs/dbraw/zinc/58/40/40/531584040.db2.gz AHGBZAZZZKICMS-CYBMUJFWSA-N 1 0 393.506 1.302 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)CC2CCS(=O)(=O)CC2)C1 ZINC000555948864 531586308 /nfs/dbraw/zinc/58/63/08/531586308.db2.gz UIKCNDDTOOPJBL-IYBDPMFKSA-N 1 0 394.603 1.489 20 0 GDADRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1Cl ZINC000268935769 531589307 /nfs/dbraw/zinc/58/93/07/531589307.db2.gz GUKJSFGLQOSIHP-LBPRGKRZSA-N 1 0 375.878 1.301 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)s1 ZINC000558966420 531589384 /nfs/dbraw/zinc/58/93/84/531589384.db2.gz ISFCSVFJPRLAQZ-CQSZACIVSA-N 1 0 388.559 1.316 20 0 GDADRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268981527 531595513 /nfs/dbraw/zinc/59/55/13/531595513.db2.gz DHNZBYJTVNTDFC-GRDNDAEWSA-N 1 0 388.555 1.471 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1(c2cncc(Br)c2)CC1 ZINC000614506723 531597396 /nfs/dbraw/zinc/59/73/96/531597396.db2.gz ZFNZUAUYEJJEHW-OAHLLOKOSA-N 1 0 379.302 1.382 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCC(C)(F)F ZINC000583831407 531597053 /nfs/dbraw/zinc/59/70/53/531597053.db2.gz XZCSPEQQBSIDBJ-UHFFFAOYSA-N 1 0 377.457 1.610 20 0 GDADRO COc1cc(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)ccc1Cl ZINC000416400296 531599154 /nfs/dbraw/zinc/59/91/54/531599154.db2.gz JUPMTHWSMDSHJL-UHFFFAOYSA-N 1 0 375.922 1.607 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000269016636 531599724 /nfs/dbraw/zinc/59/97/24/531599724.db2.gz ISBFQCDJWNZOCM-NSHDSACASA-N 1 0 377.894 1.074 20 0 GDADRO CCOc1ccc(NC(=O)[C@H]([NH3+])CCSC)cc1S(=O)(=O)N(C)C ZINC000269038340 531601649 /nfs/dbraw/zinc/60/16/49/531601649.db2.gz LGIDIANLRFAZFV-GFCCVEGCSA-N 1 0 375.516 1.355 20 0 GDADRO CSCC[C@@H]([NH3+])C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000269048240 531602451 /nfs/dbraw/zinc/60/24/51/531602451.db2.gz OYGALAJZGNMGAT-OAHLLOKOSA-N 1 0 389.518 1.175 20 0 GDADRO CCC[NH+]1CCC(NC(=O)C(=O)N2CCSC[C@H]2c2nccs2)CC1 ZINC000559460617 531602535 /nfs/dbraw/zinc/60/25/35/531602535.db2.gz LYDQXDMQZQXBEY-AWEZNQCLSA-N 1 0 382.555 1.750 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CCSC)cc1 ZINC000269033015 531602309 /nfs/dbraw/zinc/60/23/09/531602309.db2.gz JOHHOXHEKCUPLV-BBRMVZONSA-N 1 0 387.571 1.975 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000637096345 531604450 /nfs/dbraw/zinc/60/44/50/531604450.db2.gz INQDNXMMZSTLPZ-ZBFHGGJFSA-N 1 0 397.317 1.394 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c(Br)c1 ZINC000281328274 531606078 /nfs/dbraw/zinc/60/60/78/531606078.db2.gz AKRXPUCPCUILLM-ZDUSSCGKSA-N 1 0 381.292 1.049 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000269121214 531612373 /nfs/dbraw/zinc/61/23/73/531612373.db2.gz JTMXECOHVQHAOV-SNVBAGLBSA-N 1 0 380.297 1.482 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451407762 531609264 /nfs/dbraw/zinc/60/92/64/531609264.db2.gz XTBWYWSCHGRBFB-UHFFFAOYSA-N 1 0 383.283 1.322 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000584057956 531609853 /nfs/dbraw/zinc/60/98/53/531609853.db2.gz BRFACMDJGCVGMG-SKDRFNHKSA-N 1 0 380.388 1.898 20 0 GDADRO C[NH+](C)CCCN(C(=O)Cc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000269148045 531616005 /nfs/dbraw/zinc/61/60/05/531616005.db2.gz NGJZCDSRWODDGZ-HNNXBMFYSA-N 1 0 390.908 1.989 20 0 GDADRO O=S1(=O)CC[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)c2cc(Br)ccc21 ZINC000559870664 531612840 /nfs/dbraw/zinc/61/28/40/531612840.db2.gz FPWYCYLJNCFLPU-MBNYWOFBSA-N 1 0 390.299 1.797 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000559899524 531613735 /nfs/dbraw/zinc/61/37/35/531613735.db2.gz CXOHLSKGANBAAF-HIFRSBDPSA-N 1 0 394.317 1.991 20 0 GDADRO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000295711471 531614438 /nfs/dbraw/zinc/61/44/38/531614438.db2.gz KENNWSDELOZXQG-SRVKXCTJSA-N 1 0 391.921 1.524 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NCC[N@H+](C)C(C)C)cnc1C(F)F ZINC000451429625 531614743 /nfs/dbraw/zinc/61/47/43/531614743.db2.gz MFNYHGSSTBGIBD-UHFFFAOYSA-N 1 0 379.429 1.814 20 0 GDADRO Cc1cnc(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000559964689 531617588 /nfs/dbraw/zinc/61/75/88/531617588.db2.gz GIOPOECWMQTXKE-UHFFFAOYSA-N 1 0 382.555 1.546 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOc1cccc(Br)c1 ZINC000494691855 531618119 /nfs/dbraw/zinc/61/81/19/531618119.db2.gz RWFFPNNUFKDFFR-CYBMUJFWSA-N 1 0 377.304 1.842 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000560026469 531618547 /nfs/dbraw/zinc/61/85/47/531618547.db2.gz VIBCUWGXBCWJAY-LSDHHAIUSA-N 1 0 397.317 1.489 20 0 GDADRO CCCCN(C(=O)C[NH2+][C@@H](CO)c1sccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000494654153 531616204 /nfs/dbraw/zinc/61/62/04/531616204.db2.gz GQRQXHDWBBXVQQ-GJZGRUSLSA-N 1 0 388.555 1.495 20 0 GDADRO CCC[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC1 ZINC000660250823 531616790 /nfs/dbraw/zinc/61/67/90/531616790.db2.gz DTEIVGGMAUNRPT-STQMWFEESA-N 1 0 385.452 1.478 20 0 GDADRO O=C(CC1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000269183709 531619992 /nfs/dbraw/zinc/61/99/92/531619992.db2.gz DNZTWDKIBRSAHR-UHFFFAOYSA-N 1 0 385.917 1.563 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC(C)(C)C[NH3+])ccc1Br ZINC000269177485 531620460 /nfs/dbraw/zinc/62/04/60/531620460.db2.gz NFBRDTXSQCJSLP-UHFFFAOYSA-N 1 0 378.292 1.167 20 0 GDADRO O=C(Nc1nc2cc(Br)ccn2n1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000584518160 531620529 /nfs/dbraw/zinc/62/05/29/531620529.db2.gz SXPHPOUVPCCVCW-NWDGAFQWSA-N 1 0 379.262 2.001 20 0 GDADRO O=C(NCC[NH2+]C1CC1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000637307060 531619611 /nfs/dbraw/zinc/61/96/11/531619611.db2.gz OXPZSIWCHIAYFJ-AWEZNQCLSA-N 1 0 381.274 1.384 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1OC ZINC000560028299 531620739 /nfs/dbraw/zinc/62/07/39/531620739.db2.gz LDGDHEHWUWYOGM-LBPRGKRZSA-N 1 0 390.889 1.850 20 0 GDADRO O=C(C[C@H]1C[NH2+]CCO1)Nc1cc(F)c(I)c(F)c1 ZINC000269210976 531624709 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CCN(CCC[NH+](C)C)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623024817 531795332 /nfs/dbraw/zinc/79/53/32/531795332.db2.gz YIGCOGXMNRIODO-UHFFFAOYSA-N 1 0 381.278 1.839 20 0 GDADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1csc(C(F)(F)F)n1 ZINC000562980016 531795565 /nfs/dbraw/zinc/79/55/65/531795565.db2.gz CJFAAVJMYLWSHL-SKDRFNHKSA-N 1 0 376.404 1.539 20 0 GDADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)NC[C@H]1C[NH2+]CCO1 ZINC000418013833 531797049 /nfs/dbraw/zinc/79/70/49/531797049.db2.gz ZWAIFBFBCRGWKX-CYBMUJFWSA-N 1 0 381.274 1.761 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)C1CCN(S(=O)(=O)NC)CC1)CC(C)C ZINC000512306692 531798911 /nfs/dbraw/zinc/79/89/11/531798911.db2.gz RQTYCEZFXWLYHY-INIZCTEOSA-N 1 0 376.567 1.035 20 0 GDADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000563026376 531799217 /nfs/dbraw/zinc/79/92/17/531799217.db2.gz QJJUCPMJGCMZNX-UHFFFAOYSA-N 1 0 385.486 1.739 20 0 GDADRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(F)cc2I)CC1 ZINC000418025315 531799286 /nfs/dbraw/zinc/79/92/86/531799286.db2.gz 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[NH3+]CC1CCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000418150225 531805783 /nfs/dbraw/zinc/80/57/83/531805783.db2.gz QMGROMKTWQJJPK-UHFFFAOYSA-N 1 0 388.921 1.389 20 0 GDADRO COC[C@]1(CNC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CCC[NH2+]1 ZINC000514789725 531805827 /nfs/dbraw/zinc/80/58/27/531805827.db2.gz QBHULFJNOFBWPY-PIGZYNQJSA-N 1 0 388.295 1.997 20 0 GDADRO CCCN(C(=O)c1c(I)cnn1C)[C@@H]1CC[N@H+](C)C1 ZINC000592829764 531805985 /nfs/dbraw/zinc/80/59/85/531805985.db2.gz YGVHRYJUFGYLJG-SNVBAGLBSA-N 1 0 376.242 1.581 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)NCCOc2ccc(I)cc2)C1 ZINC000418155339 531806204 /nfs/dbraw/zinc/80/62/04/531806204.db2.gz LIGWYQVEBAZIAI-LLVKDONJSA-N 1 0 375.210 1.413 20 0 GDADRO [NH3+]C1CCC(NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000418155802 531806825 /nfs/dbraw/zinc/80/68/25/531806825.db2.gz MBKAALOZUGQJLS-UHFFFAOYSA-N 1 0 392.884 1.327 20 0 GDADRO O=C(c1ncsc1C(F)(F)F)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563106539 531806956 /nfs/dbraw/zinc/80/69/56/531806956.db2.gz 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20 0 GDADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000453286160 531812969 /nfs/dbraw/zinc/81/29/69/531812969.db2.gz XORKYKCWYSXVED-JSGCOSHPSA-N 1 0 378.263 1.715 20 0 GDADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000453286166 531813027 /nfs/dbraw/zinc/81/30/27/531813027.db2.gz XORKYKCWYSXVED-TZMCWYRMSA-N 1 0 378.263 1.715 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000563162491 531814556 /nfs/dbraw/zinc/81/45/56/531814556.db2.gz HXNPDAAYPJCEMX-NSHDSACASA-N 1 0 381.420 1.617 20 0 GDADRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453380349 531815423 /nfs/dbraw/zinc/81/54/23/531815423.db2.gz ZJIOLJBCXBRMMA-OASPWFOLSA-N 1 0 393.303 1.551 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)C1 ZINC000453380785 531815450 /nfs/dbraw/zinc/81/54/50/531815450.db2.gz RGZQDJOOLUJSAX-RISCZKNCSA-N 1 0 394.306 1.906 20 0 GDADRO [NH3+]C/C=C/CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000669584315 531815557 /nfs/dbraw/zinc/81/55/57/531815557.db2.gz NLTILMZYPOEPMI-OWOJBTEDSA-N 1 0 381.285 1.086 20 0 GDADRO O=C(NCC[NH2+]C1CC1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000669571868 531815920 /nfs/dbraw/zinc/81/59/20/531815920.db2.gz YLXWXFPHFZQKRS-CQSZACIVSA-N 1 0 381.274 1.606 20 0 GDADRO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000669578926 531816686 /nfs/dbraw/zinc/81/66/86/531816686.db2.gz PDRVJDLEFZMPNO-CYBMUJFWSA-N 1 0 388.921 1.450 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000516397321 531816966 /nfs/dbraw/zinc/81/69/66/531816966.db2.gz QGVMKOJRGUVVAV-OKILXGFUSA-N 1 0 387.571 1.812 20 0 GDADRO CO[C@@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)[C@@H](C[NH3+])C1 ZINC000418262526 531817748 /nfs/dbraw/zinc/81/77/48/531817748.db2.gz ILSSNKGVHGDYPT-GHMZBOCLSA-N 1 0 396.289 1.973 20 0 GDADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418235284 531818072 /nfs/dbraw/zinc/81/80/72/531818072.db2.gz RZZSGXHBXKPNEC-CYBMUJFWSA-N 1 0 395.859 1.800 20 0 GDADRO CC[NH2+]CCNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000418331275 531822206 /nfs/dbraw/zinc/82/22/06/531822206.db2.gz XMODOFWSELPCIA-GFCCVEGCSA-N 1 0 398.305 1.814 20 0 GDADRO O=C(NC[C@@H](CO)Cc1cc(Br)ccc1F)N[C@@H]1CCC[NH2+]C1 ZINC000418385622 531823555 /nfs/dbraw/zinc/82/35/55/531823555.db2.gz QJGXVRZURPLFIK-SMDDNHRTSA-N 1 0 388.281 1.790 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000418389616 531823726 /nfs/dbraw/zinc/82/37/26/531823726.db2.gz OKEOYIGYSLRCPY-NEPJUHHUSA-N 1 0 390.297 1.894 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000418416025 531824215 /nfs/dbraw/zinc/82/42/15/531824215.db2.gz UZSPDLQYIHRITA-AWEZNQCLSA-N 1 0 388.921 1.339 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453694038 531824952 /nfs/dbraw/zinc/82/49/52/531824952.db2.gz KDNSZIOJMLYLEV-UHFFFAOYSA-N 1 0 379.258 1.956 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000418391654 531825058 /nfs/dbraw/zinc/82/50/58/531825058.db2.gz CJQMBVQDKBVLMV-XHDPSFHLSA-N 1 0 388.281 1.776 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)co1 ZINC000270040640 531825815 /nfs/dbraw/zinc/82/58/15/531825815.db2.gz OAXJTYJXMXOHND-UHFFFAOYSA-N 1 0 387.527 1.279 20 0 GDADRO Cc1ccc(C[C@H](CO)CNC(=O)NC[C@@H]([NH3+])C2CC2)cc1Br ZINC000418490645 531826327 /nfs/dbraw/zinc/82/63/27/531826327.db2.gz QOWRCBKDMMHYRC-XJKSGUPXSA-N 1 0 384.318 1.945 20 0 GDADRO COc1ccc(C[C@@H](CO)CNC(=O)NC[C@@H](C)C[NH3+])cc1Br ZINC000418481386 531826709 /nfs/dbraw/zinc/82/67/09/531826709.db2.gz DHFHHTHCKSXGNP-WCQYABFASA-N 1 0 388.306 1.503 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000670123741 531827183 /nfs/dbraw/zinc/82/71/83/531827183.db2.gz JYJTZSXHAQZHLH-CQSZACIVSA-N 1 0 390.937 1.570 20 0 GDADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)C[C@H]2C(C)(C)C2(F)F)CC1 ZINC000641472495 531828079 /nfs/dbraw/zinc/82/80/79/531828079.db2.gz UDYAVXMBMMXCDT-AWEZNQCLSA-N 1 0 375.441 1.833 20 0 GDADRO [NH3+][C@H](CNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000418494127 531828170 /nfs/dbraw/zinc/82/81/70/531828170.db2.gz XLOCXPHQLYHTFQ-XHDPSFHLSA-N 1 0 388.281 1.776 20 0 GDADRO C[NH2+]CCCNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000418276536 531819621 /nfs/dbraw/zinc/81/96/21/531819621.db2.gz GGKSGLFRBSOCNJ-GFCCVEGCSA-N 1 0 376.270 1.648 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000418303031 531820656 /nfs/dbraw/zinc/82/06/56/531820656.db2.gz UQCJKNHWFDMEKX-UHFFFAOYSA-N 1 0 385.965 1.524 20 0 GDADRO CC[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000624176723 531833615 /nfs/dbraw/zinc/83/36/15/531833615.db2.gz QUVPJOOCIBKIPE-DZGCQCFKSA-N 1 0 375.922 1.619 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000367404610 531833684 /nfs/dbraw/zinc/83/36/84/531833684.db2.gz ITYCAIKBAXCYQM-YUMQZZPRSA-N 1 0 390.911 1.126 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418702583 531834407 /nfs/dbraw/zinc/83/44/07/531834407.db2.gz AXOXXRRDZMFJPM-GFCCVEGCSA-N 1 0 381.278 1.909 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000418702585 531834679 /nfs/dbraw/zinc/83/46/79/531834679.db2.gz AXOXXRRDZMFJPM-LBPRGKRZSA-N 1 0 381.278 1.909 20 0 GDADRO CC1=C(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)S(=O)(=O)CCO1 ZINC000283162420 531835051 /nfs/dbraw/zinc/83/50/51/531835051.db2.gz UBVQZBJYTNPHJC-UHFFFAOYSA-N 1 0 388.873 1.895 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cncc(Br)c2)CCSC1 ZINC000270168044 531835381 /nfs/dbraw/zinc/83/53/81/531835381.db2.gz JMIGUSCTTQKSLS-CQSZACIVSA-N 1 0 387.303 1.336 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000418734814 531836515 /nfs/dbraw/zinc/83/65/15/531836515.db2.gz WRRDWPBTGPMRJL-QWRGUYRKSA-N 1 0 392.884 1.231 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000270173250 531836982 /nfs/dbraw/zinc/83/69/82/531836982.db2.gz DCJYDZTUMSGMCF-OAHLLOKOSA-N 1 0 385.555 1.737 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418752464 531837178 /nfs/dbraw/zinc/83/71/78/531837178.db2.gz BVDGKHHCYJUXIS-CQSZACIVSA-N 1 0 385.306 1.373 20 0 GDADRO CC[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]c3c[nH]cn3)cc2)C1 ZINC000563428718 531837199 /nfs/dbraw/zinc/83/71/99/531837199.db2.gz YTMGENLQTCXFIU-GFCCVEGCSA-N 1 0 384.483 1.631 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000418776266 531839422 /nfs/dbraw/zinc/83/94/22/531839422.db2.gz FZWICXRDHXZJOZ-UHFFFAOYSA-N 1 0 386.290 1.517 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000297879010 531830320 /nfs/dbraw/zinc/83/03/20/531830320.db2.gz OHIHTSSZXNAFAZ-HNNXBMFYSA-N 1 0 392.297 1.880 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN(C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000563360299 531830662 /nfs/dbraw/zinc/83/06/62/531830662.db2.gz GFRNNHOVPYNMCP-LRDDRELGSA-N 1 0 375.307 1.736 20 0 GDADRO O=C(Nc1cc(Cl)cc(F)c1F)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000453824547 531830823 /nfs/dbraw/zinc/83/08/23/531830823.db2.gz UCNYGDJXLJHMSB-NSHDSACASA-N 1 0 375.803 1.520 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1Br ZINC000453827397 531830931 /nfs/dbraw/zinc/83/09/31/531830931.db2.gz XLFBQMNSRHJHSB-ZDUSSCGKSA-N 1 0 398.301 1.659 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H](O)COc1ccccc1Br ZINC000418616024 531831335 /nfs/dbraw/zinc/83/13/35/531831335.db2.gz KQYBOTXZVZITNL-DYEKYZERSA-N 1 0 386.290 1.486 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418591857 531831415 /nfs/dbraw/zinc/83/14/15/531831415.db2.gz KTQUCIYQOPFYJJ-INWMFGNUSA-N 1 0 384.318 1.897 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000418588081 531831457 /nfs/dbraw/zinc/83/14/57/531831457.db2.gz FDZGPALFUVZNFK-RISCZKNCSA-N 1 0 383.290 1.630 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000418832180 531849272 /nfs/dbraw/zinc/84/92/72/531849272.db2.gz LTENLYAWWZRKKX-UEEZHKSASA-N 1 0 380.286 1.617 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000624565506 531849400 /nfs/dbraw/zinc/84/94/00/531849400.db2.gz BJHVKINMLZUQLN-HNNXBMFYSA-N 1 0 387.933 1.997 20 0 GDADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367614999 531849952 /nfs/dbraw/zinc/84/99/52/531849952.db2.gz JTVVSOUVCCGOBW-LSDHHAIUSA-N 1 0 387.571 1.995 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)C[C@H](C)[NH2+]1 ZINC000418839684 531850218 /nfs/dbraw/zinc/85/02/18/531850218.db2.gz AUJPBUPCEDZVPQ-PHIMTYICSA-N 1 0 386.265 1.456 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000418837948 531850392 /nfs/dbraw/zinc/85/03/92/531850392.db2.gz UJSFFVJJRPPOPO-UONOGXRCSA-N 1 0 380.286 1.632 20 0 GDADRO CO[C@@H](CS(=O)(=O)N(C)CCCC[NH+]1CCCCC1)C1CCOCC1 ZINC000641697701 531850500 /nfs/dbraw/zinc/85/05/00/531850500.db2.gz KTCPZAQVGPKNTP-SFHVURJKSA-N 1 0 376.563 1.956 20 0 GDADRO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C(=O)N1CC[NH2+]CC1 ZINC000418837428 531850804 /nfs/dbraw/zinc/85/08/04/531850804.db2.gz WBRIVYTUFUWGGT-HAQNSBGRSA-N 1 0 384.249 1.382 20 0 GDADRO CCC(C)(C)[NH+]1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)CC)CC1 ZINC000594389435 531851474 /nfs/dbraw/zinc/85/14/74/531851474.db2.gz HXFVEVSKWPWRIE-CQSZACIVSA-N 1 0 379.592 1.380 20 0 GDADRO O=C(c1ccc(F)c(I)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594391652 531851644 /nfs/dbraw/zinc/85/16/44/531851644.db2.gz BPRZKTOHAQZQMF-WDEREUQCSA-N 1 0 390.196 1.321 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000270270350 531852576 /nfs/dbraw/zinc/85/25/76/531852576.db2.gz QDRNQXMOAAQUTC-ZDUSSCGKSA-N 1 0 376.450 1.247 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418846262 531853254 /nfs/dbraw/zinc/85/32/54/531853254.db2.gz QWORMPNUTFIUHU-ACJLOTCBSA-N 1 0 394.313 1.708 20 0 GDADRO [NH3+]C/C=C/CNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000641864264 531854061 /nfs/dbraw/zinc/85/40/61/531854061.db2.gz BBKFVBJRYMHLGH-OWOJBTEDSA-N 1 0 381.274 1.431 20 0 GDADRO O=C(NCc1cc(Br)cc2c1OCC2)NC[C@H]1C[NH2+]CCCO1 ZINC000563584834 531854221 /nfs/dbraw/zinc/85/42/21/531854221.db2.gz OYWLFPLEZQMSQY-CQSZACIVSA-N 1 0 384.274 1.562 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418800390 531840640 /nfs/dbraw/zinc/84/06/40/531840640.db2.gz BJMJDZKFLKHZSJ-TYNCELHUSA-N 1 0 398.276 1.771 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(OC)ccc1Br ZINC000624396823 531842320 /nfs/dbraw/zinc/84/23/20/531842320.db2.gz FQRPWRCYVYNQFV-UHFFFAOYSA-N 1 0 381.292 1.314 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC000270218983 531842458 /nfs/dbraw/zinc/84/24/58/531842458.db2.gz MMRGTKWMEGFRBC-HNNXBMFYSA-N 1 0 386.539 1.443 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418809214 531842470 /nfs/dbraw/zinc/84/24/70/531842470.db2.gz MGBMBVFLTLTJPN-PCVQNBPASA-N 1 0 398.276 1.756 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000624396008 531842699 /nfs/dbraw/zinc/84/26/99/531842699.db2.gz YJAOJGHASNDIPL-UHFFFAOYSA-N 1 0 385.711 1.758 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000624396940 531843003 /nfs/dbraw/zinc/84/30/03/531843003.db2.gz JLYONJDDYDDRGI-UHFFFAOYSA-N 1 0 387.246 1.584 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000624405978 531844146 /nfs/dbraw/zinc/84/41/46/531844146.db2.gz RXUBSTVNSXDESM-ZYHUDNBSSA-N 1 0 389.905 1.469 20 0 GDADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000641623188 531844309 /nfs/dbraw/zinc/84/43/09/531844309.db2.gz GBVRETNWTKKAOR-OWCLPIDISA-N 1 0 380.576 1.193 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC[NH2+]1 ZINC000418813877 531844821 /nfs/dbraw/zinc/84/48/21/531844821.db2.gz UKQQFGQWHAKTJL-LMLFDSFASA-N 1 0 386.315 1.739 20 0 GDADRO COc1cc(Br)c(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1OC ZINC000563453516 531845659 /nfs/dbraw/zinc/84/56/59/531845659.db2.gz IGFQTGXWOWBNIV-SNVBAGLBSA-N 1 0 387.278 1.573 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418823311 531846568 /nfs/dbraw/zinc/84/65/68/531846568.db2.gz RWBQUNMASYCBLN-VHRBIJSZSA-N 1 0 398.276 1.709 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000283261384 531846780 /nfs/dbraw/zinc/84/67/80/531846780.db2.gz JHPQUQKHABUPRR-UHFFFAOYSA-N 1 0 376.284 1.694 20 0 GDADRO C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418825204 531847921 /nfs/dbraw/zinc/84/79/21/531847921.db2.gz JJGQHLKTSZHQOC-YUSALJHKSA-N 1 0 386.265 1.675 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)c(Br)c1 ZINC000595120689 531866092 /nfs/dbraw/zinc/86/60/92/531866092.db2.gz KNVYVIMUWIQMKT-UHFFFAOYSA-N 1 0 389.271 1.266 20 0 GDADRO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])Sc1ccc(Br)cc1 ZINC000418931863 531866095 /nfs/dbraw/zinc/86/60/95/531866095.db2.gz FDYFBPQFQPBCJN-WDEREUQCSA-N 1 0 388.331 1.852 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCOc2cccc(Br)c2)[C@H](C)C[NH2+]1 ZINC000418931844 531866273 /nfs/dbraw/zinc/86/62/73/531866273.db2.gz CQAMJZKCAHCRRU-VXGBXAGGSA-N 1 0 384.274 1.153 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)Sc1ccc(Br)cc1 ZINC000418932255 531866766 /nfs/dbraw/zinc/86/67/66/531866766.db2.gz GGSCIQZNKPZVEG-SNVBAGLBSA-N 1 0 386.315 1.382 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595120987 531867024 /nfs/dbraw/zinc/86/70/24/531867024.db2.gz JJTKQAZQQWLTGW-GHMZBOCLSA-N 1 0 395.250 1.296 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000418940918 531867915 /nfs/dbraw/zinc/86/79/15/531867915.db2.gz JWHZFZWGDZQWSE-ITDIGPHOSA-N 1 0 380.286 1.748 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)NCCc2ccc(F)c(Br)c2)CC1 ZINC000418854628 531855914 /nfs/dbraw/zinc/85/59/14/531855914.db2.gz ZRRVNCKUFXAIDO-UHFFFAOYSA-N 1 0 386.265 1.633 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642279148 531856383 /nfs/dbraw/zinc/85/63/83/531856383.db2.gz OJXWNEURNXWXLM-DZGCQCFKSA-N 1 0 380.286 1.318 20 0 GDADRO 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C[NH+](C)CC(C)(C)CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000625041530 531875363 /nfs/dbraw/zinc/87/53/63/531875363.db2.gz MUFVEUCYORUAIP-UHFFFAOYSA-N 1 0 396.340 1.976 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000419033489 531884389 /nfs/dbraw/zinc/88/43/89/531884389.db2.gz CNBVFBAZNYCDSR-STQMWFEESA-N 1 0 382.258 1.242 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12)C1CC1 ZINC000418976566 531875795 /nfs/dbraw/zinc/87/57/95/531875795.db2.gz UYQPNMNPOMJDBT-CQSZACIVSA-N 1 0 383.279 1.987 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C[C@H]1[NH+](C)C ZINC000270471477 531875923 /nfs/dbraw/zinc/87/59/23/531875923.db2.gz CHTOUBOCDYIDTL-HZPDHXFCSA-N 1 0 383.539 1.480 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418997345 531877465 /nfs/dbraw/zinc/87/74/65/531877465.db2.gz UCVUKTRDWFIUOG-OAHLLOKOSA-N 1 0 384.318 1.940 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000283591544 531877510 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CS[C@H]1CN(C(=O)CSCc2cc(=O)n3ccsc3n2)C[C@@H]1[NH+](C)C ZINC000270497485 531880056 /nfs/dbraw/zinc/88/00/56/531880056.db2.gz PCZYVRKLWLBUNY-STQMWFEESA-N 1 0 398.579 1.493 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])cc1Br ZINC000419010772 531880657 /nfs/dbraw/zinc/88/06/57/531880657.db2.gz QUIZWBLGFYZPCS-WCQYABFASA-N 1 0 398.301 1.975 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419023233 531882022 /nfs/dbraw/zinc/88/20/22/531882022.db2.gz OIGAEONCYXBZHT-STQMWFEESA-N 1 0 384.274 1.488 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000566237899 531882485 /nfs/dbraw/zinc/88/24/85/531882485.db2.gz WBIKOCJSIRSKDS-QWRGUYRKSA-N 1 0 399.289 1.054 20 0 GDADRO COc1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000367832830 531869770 /nfs/dbraw/zinc/86/97/70/531869770.db2.gz PSANRFAOOBFQCV-ZDUSSCGKSA-N 1 0 375.288 1.878 20 0 GDADRO CC[C@H]1CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[C@@H]1[NH3+] ZINC000647004694 531892099 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C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1sc2c(c1I)CNC2 ZINC000595949442 531895752 /nfs/dbraw/zinc/89/57/52/531895752.db2.gz DKVRNSXQIMMKKD-VXNVDRBHSA-N 1 0 391.278 1.684 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419059337 531896529 /nfs/dbraw/zinc/89/65/29/531896529.db2.gz XNMSMSNNQVZNHP-HIFRSBDPSA-N 1 0 384.318 1.986 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000567555140 531896844 /nfs/dbraw/zinc/89/68/44/531896844.db2.gz HUJGASGAUUTNJD-LLVKDONJSA-N 1 0 384.893 1.625 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419078045 531897466 /nfs/dbraw/zinc/89/74/66/531897466.db2.gz SKMZXOLAIVSHPC-CHWSQXEVSA-N 1 0 397.317 1.245 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1sc2c(c1I)CNC2 ZINC000595960406 531897532 /nfs/dbraw/zinc/89/75/32/531897532.db2.gz DYZWOTXVKSOZBP-RKDXNWHRSA-N 1 0 391.278 1.956 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000647732721 531897775 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1.630 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCO1 ZINC000647877177 531899414 /nfs/dbraw/zinc/89/94/14/531899414.db2.gz KDCKKTYMELXPAP-TUKIKUTGSA-N 1 0 383.901 1.430 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000419042580 531888268 /nfs/dbraw/zinc/88/82/68/531888268.db2.gz LXTOJPVICPNSDW-LPEHRKFASA-N 1 0 376.404 1.407 20 0 GDADRO C[C@@H](CNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[NH+](C)C ZINC000298448109 531888931 /nfs/dbraw/zinc/88/89/31/531888931.db2.gz SQDXDTHEEJDIJT-JTQLQIEISA-N 1 0 382.313 1.728 20 0 GDADRO C[C@H](CNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[NH+](C)C ZINC000298448116 531888961 /nfs/dbraw/zinc/88/89/61/531888961.db2.gz SQDXDTHEEJDIJT-SNVBAGLBSA-N 1 0 382.313 1.728 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C[C@H]1[NH+](C)C ZINC000270540965 531890273 /nfs/dbraw/zinc/89/02/73/531890273.db2.gz XMYFPZKLAWDNDE-CVEARBPZSA-N 1 0 383.539 1.126 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000419088318 531899462 /nfs/dbraw/zinc/89/94/62/531899462.db2.gz QXEYNUANLRMYRN-UHFFFAOYSA-N 1 0 388.295 1.623 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)[C@H](C)C[NH2+]1 ZINC000419045019 531890358 /nfs/dbraw/zinc/89/03/58/531890358.db2.gz VLXNDQKFHAIZEL-GYSYKLTISA-N 1 0 396.285 1.598 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)C[C@H]1[NH+](C)C ZINC000270536485 531890603 /nfs/dbraw/zinc/89/06/03/531890603.db2.gz WMNVAPBWWJNGQI-ZIAGYGMSSA-N 1 0 375.491 1.315 20 0 GDADRO CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000566678885 531890667 /nfs/dbraw/zinc/89/06/67/531890667.db2.gz MBHJKCPMVSALFX-KGLIPLIRSA-N 1 0 380.286 1.824 20 0 GDADRO C[C@@H](CNS(=O)(=O)Cc1ccccc1Br)N1CC[NH+](C)CC1 ZINC000566696991 531890947 /nfs/dbraw/zinc/89/09/47/531890947.db2.gz YZPVGAMJYHZMCM-ZDUSSCGKSA-N 1 0 390.347 1.504 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(I)cc1)[NH+](C)C ZINC000298609272 531905112 /nfs/dbraw/zinc/90/51/12/531905112.db2.gz SOQCPEGCHZAONJ-SECBINFHSA-N 1 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/nfs/dbraw/zinc/90/87/52/531908752.db2.gz JABXAFXXSKECGU-UHFFFAOYSA-N 1 0 392.319 1.361 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419171795 531908790 /nfs/dbraw/zinc/90/87/90/531908790.db2.gz YGIRDEPPXQPWOP-AWEZNQCLSA-N 1 0 388.295 1.885 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419169387 531908956 /nfs/dbraw/zinc/90/89/56/531908956.db2.gz UOBXWAUGUAEQOA-TZMCWYRMSA-N 1 0 380.286 1.442 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419170741 531909072 /nfs/dbraw/zinc/90/90/72/531909072.db2.gz WGSCFFAWGAPLJN-AWEZNQCLSA-N 1 0 388.295 1.837 20 0 GDADRO O=C(c1nc2ncc(Br)cn2n1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000648142521 531909269 /nfs/dbraw/zinc/90/92/69/531909269.db2.gz TZPBCMSCXMNWTJ-NWDGAFQWSA-N 1 0 393.289 1.739 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2ccsc2Br)CC1 ZINC000419183866 531909522 /nfs/dbraw/zinc/90/95/22/531909522.db2.gz MXGGGJDJCJNEIX-UHFFFAOYSA-N 1 0 388.331 1.975 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000648142839 531909597 /nfs/dbraw/zinc/90/95/97/531909597.db2.gz ARCBCOLKGJLUAK-ZIAGYGMSSA-N 1 0 385.555 1.850 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)cc2)[C@@H]1C[NH3+] ZINC000419185982 531910263 /nfs/dbraw/zinc/91/02/63/531910263.db2.gz HUXWCVUEKSXJMS-IUODEOHRSA-N 1 0 382.302 1.694 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419199968 531911408 /nfs/dbraw/zinc/91/14/08/531911408.db2.gz DHLQSILBYQAXIU-GFCCVEGCSA-N 1 0 398.301 1.661 20 0 GDADRO O=C(NCCc1ccccc1Br)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419199793 531912206 /nfs/dbraw/zinc/91/22/06/531912206.db2.gz CYTPNESNAVVBCE-RBSFLKMASA-N 1 0 394.313 1.612 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419202154 531913608 /nfs/dbraw/zinc/91/36/08/531913608.db2.gz GGQNMLBIZNCWOM-FZMZJTMJSA-N 1 0 398.301 1.802 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000419207233 531913675 /nfs/dbraw/zinc/91/36/75/531913675.db2.gz SYIRMSFRVBCFRY-UHFFFAOYSA-N 1 0 394.313 1.713 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419204814 531913765 /nfs/dbraw/zinc/91/37/65/531913765.db2.gz JKQQLGDEMRBZEE-QWHCGFSZSA-N 1 0 384.274 1.460 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCc1ccc(Br)s1 ZINC000419111833 531900598 /nfs/dbraw/zinc/90/05/98/531900598.db2.gz JKRFESIFOTWQQQ-UHFFFAOYSA-N 1 0 376.320 1.613 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)s2)[C@H]1C[NH3+] ZINC000419105685 531900764 /nfs/dbraw/zinc/90/07/64/531900764.db2.gz BZMIGWSNDNFVFR-JQWIXIFHSA-N 1 0 388.331 1.755 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)s2)C1 ZINC000419109340 531900806 /nfs/dbraw/zinc/90/08/06/531900806.db2.gz HEUVEBCZXZMXPF-QWRGUYRKSA-N 1 0 388.331 1.755 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1ccc(Br)s1)C1CCCC1 ZINC000419117848 531901142 /nfs/dbraw/zinc/90/11/42/531901142.db2.gz QMXXAYICYHOLHM-LBPRGKRZSA-N 1 0 388.331 1.803 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000419122910 531901597 /nfs/dbraw/zinc/90/15/97/531901597.db2.gz XGSHTOUOKRIFSZ-JTQLQIEISA-N 1 0 376.320 1.803 20 0 GDADRO CNC(=O)C[NH+]1CCC(N[C@@H](C(=O)OC)c2ccccc2Br)CC1 ZINC000596040466 531902235 /nfs/dbraw/zinc/90/22/35/531902235.db2.gz AFTRHESSEOVFQO-MRXNPFEDSA-N 1 0 398.301 1.463 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000419135806 531902902 /nfs/dbraw/zinc/90/29/02/531902902.db2.gz NQLLTYNOHVPSAQ-NOZJJQNGSA-N 1 0 388.693 1.914 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccnc1OCC(F)F ZINC000647900194 531903141 /nfs/dbraw/zinc/90/31/41/531903141.db2.gz KURGDICMCJYLGQ-QWHCGFSZSA-N 1 0 375.441 1.973 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCc1ccc(Br)cc1Cl ZINC000419136546 531903275 /nfs/dbraw/zinc/90/32/75/531903275.db2.gz PIFLSSCFVCQJHO-SNVBAGLBSA-N 1 0 388.693 1.835 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419137789 531904578 /nfs/dbraw/zinc/90/45/78/531904578.db2.gz RCKZYWQQJMONKL-LBPRGKRZSA-N 1 0 388.693 1.929 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NCCn1ccnc1 ZINC000283986238 531917026 /nfs/dbraw/zinc/91/70/26/531917026.db2.gz OIBXZWMGVMYYCK-ZDUSSCGKSA-N 1 0 393.285 1.899 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(NC(=O)NCCOCCC[NH3+])c(F)c1 ZINC000625891981 531917073 /nfs/dbraw/zinc/91/70/73/531917073.db2.gz XNENLVMEHXAIMX-UHFFFAOYSA-N 1 0 376.454 1.464 20 0 GDADRO CS(=O)(=O)c1ccc(NC(=O)NCC2([NH3+])CCOCC2)cc1C(F)F ZINC000625875656 531917253 /nfs/dbraw/zinc/91/72/53/531917253.db2.gz FKINWLIFBHHNOJ-UHFFFAOYSA-N 1 0 377.413 1.657 20 0 GDADRO NS(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000625860325 531917439 /nfs/dbraw/zinc/91/74/39/531917439.db2.gz XPNQUTMTPBPTGU-JOYOIKCWSA-N 1 0 380.392 1.325 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000678037499 531917541 /nfs/dbraw/zinc/91/75/41/531917541.db2.gz OREUFINJXJJEDF-ZDUSSCGKSA-N 1 0 389.905 1.357 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000270759384 531917887 /nfs/dbraw/zinc/91/78/87/531917887.db2.gz FCKKEHZIEUWQHN-UHFFFAOYSA-N 1 0 383.290 1.374 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000419251880 531918095 /nfs/dbraw/zinc/91/80/95/531918095.db2.gz RQVXVKOYIRLWPZ-OUJBWJOFSA-N 1 0 398.326 1.908 20 0 GDADRO COC(=O)CNC(=O)CC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000283998651 531918977 /nfs/dbraw/zinc/91/89/77/531918977.db2.gz DJZADFWLSLSKMI-UHFFFAOYSA-N 1 0 384.274 1.250 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)s1 ZINC000569353961 531920125 /nfs/dbraw/zinc/92/01/25/531920125.db2.gz PXEBIWTYYGVNQN-JKSUJKDBSA-N 1 0 387.571 1.731 20 0 GDADRO CC[C@H](C)[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000456555858 531921009 /nfs/dbraw/zinc/92/10/09/531921009.db2.gz PKGVXYZPJVAIFU-NSHDSACASA-N 1 0 379.935 1.623 20 0 GDADRO COc1ccc(Br)c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC000649080188 531921245 /nfs/dbraw/zinc/92/12/45/531921245.db2.gz SBFIFMIRECKJDL-NSHDSACASA-N 1 0 384.274 1.650 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419265932 531921610 /nfs/dbraw/zinc/92/16/10/531921610.db2.gz ZYXAHUCRKBJNCM-OKILXGFUSA-N 1 0 396.285 1.297 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(I)cc1F ZINC000569471535 531922462 /nfs/dbraw/zinc/92/24/62/531922462.db2.gz AVFLQFVSKHTLHR-UHFFFAOYSA-N 1 0 393.200 1.485 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419305048 531923288 /nfs/dbraw/zinc/92/32/88/531923288.db2.gz VXXWGOXSEVYSIM-CQSZACIVSA-N 1 0 382.302 1.940 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419304127 531923312 /nfs/dbraw/zinc/92/33/12/531923312.db2.gz UHBOQUATYNXSFF-BONVTDFDSA-N 1 0 382.302 1.796 20 0 GDADRO O=C(NCc1sccc1Br)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419303489 531923424 /nfs/dbraw/zinc/92/34/24/531923424.db2.gz SBWPBJSYKAOAMN-GMTAPVOTSA-N 1 0 386.315 1.631 20 0 GDADRO Cc1csc(C(=O)N2CCC(O)(C[NH3+])CC2)c1I ZINC000569482975 531924247 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O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419239466 531915858 /nfs/dbraw/zinc/91/58/58/531915858.db2.gz FEMYCJKHOSVUFK-ZWNOBZJWSA-N 1 0 398.326 1.828 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)CC1 ZINC000419245994 531916783 /nfs/dbraw/zinc/91/67/83/531916783.db2.gz LZILASGAKVGLGS-ZDUSSCGKSA-N 1 0 398.326 1.923 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)NCc2ccc(O)c(Br)c2)CCC[NH2+]C1 ZINC000419412798 531931229 /nfs/dbraw/zinc/93/12/29/531931229.db2.gz RJUPAZJGGTYWSI-MRXNPFEDSA-N 1 0 384.274 1.277 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(O)c(Br)c3)C[C@@H]21 ZINC000419415502 531931326 /nfs/dbraw/zinc/93/13/26/531931326.db2.gz VGLBOLDLVCAXMP-SGMGOOAPSA-N 1 0 396.285 1.357 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)CC[NH2+]1 ZINC000419404646 531931796 /nfs/dbraw/zinc/93/17/96/531931796.db2.gz RNSHNXMKIQXKNB-GXSJLCMTSA-N 1 0 375.256 1.140 20 0 GDADRO O=C(CN1CCCS1(=O)=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650681366 531931979 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386.290 1.734 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419784775 531969147 /nfs/dbraw/zinc/96/91/47/531969147.db2.gz VGUJPXSGFLTMON-QWRGUYRKSA-N 1 0 384.274 1.455 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419794437 531970477 /nfs/dbraw/zinc/97/04/77/531970477.db2.gz GFVWHYSUPNTXBR-UHFFFAOYSA-N 1 0 384.274 1.915 20 0 GDADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000572839992 531971128 /nfs/dbraw/zinc/97/11/28/531971128.db2.gz HANRYYKBBRZVBC-SECBINFHSA-N 1 0 385.255 1.927 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000419786034 531971476 /nfs/dbraw/zinc/97/14/76/531971476.db2.gz XXDLHVMSFMODGT-UONOGXRCSA-N 1 0 384.249 1.715 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000419806963 531971848 /nfs/dbraw/zinc/97/18/48/531971848.db2.gz FQBMWQZWDIPJQR-UHFFFAOYSA-N 1 0 382.302 1.793 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 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1.532 20 0 GDADRO Cc1cc(C2CCN(C(=O)C(=O)NCCC[NH3+])CC2)ccc1Br ZINC000419828944 531974996 /nfs/dbraw/zinc/97/49/96/531974996.db2.gz DJFDIOMWUQDIRQ-UHFFFAOYSA-N 1 0 382.302 1.929 20 0 GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NCCCC[NH3+] ZINC000419827887 531975443 /nfs/dbraw/zinc/97/54/43/531975443.db2.gz FVFIOLTZPJHARG-ZDUSSCGKSA-N 1 0 382.302 1.968 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419835577 531975740 /nfs/dbraw/zinc/97/57/40/531975740.db2.gz AJLZEVJXPMAVHQ-CYBMUJFWSA-N 1 0 384.274 1.284 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000419840539 531976527 /nfs/dbraw/zinc/97/65/27/531976527.db2.gz DGCQMTUIGPVXPY-UHFFFAOYSA-N 1 0 380.286 1.791 20 0 GDADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000419837197 531976954 /nfs/dbraw/zinc/97/69/54/531976954.db2.gz CQRPTZVAMPEMMA-OAHLLOKOSA-N 1 0 396.285 1.217 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419842384 531977204 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[NH3+][C@@H](CNC(=O)C(=O)N1CC=C(c2cccc(Br)c2)CC1)C1CC1 ZINC000419858568 531979247 /nfs/dbraw/zinc/97/92/47/531979247.db2.gz IGQCEWNLKSFMBU-INIZCTEOSA-N 1 0 392.297 1.918 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)CC2 ZINC000419858398 531979369 /nfs/dbraw/zinc/97/93/69/531979369.db2.gz HZUYATWEDPDFGI-HNNXBMFYSA-N 1 0 380.286 1.496 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000419998000 531994607 /nfs/dbraw/zinc/99/46/07/531994607.db2.gz MHGIJLKNWNADQP-GXTWGEPZSA-N 1 0 383.290 1.607 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCC[C@H]2CCC[NH2+]2)s1 ZINC000573357617 531979863 /nfs/dbraw/zinc/97/98/63/531979863.db2.gz GNXDRHADCLTNER-HUUCEWRRSA-N 1 0 385.555 1.858 20 0 GDADRO CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000419878851 531980784 /nfs/dbraw/zinc/98/07/84/531980784.db2.gz ZDOVEPSYCAADPD-AAEUAGOBSA-N 1 0 398.326 1.923 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419890248 531982578 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GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000419951168 531989248 /nfs/dbraw/zinc/98/92/48/531989248.db2.gz IDNMOMQEIKZUIT-JTQLQIEISA-N 1 0 386.265 1.790 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000419951170 531990099 /nfs/dbraw/zinc/99/00/99/531990099.db2.gz IDNMOMQEIKZUIT-SNVBAGLBSA-N 1 0 386.265 1.790 20 0 GDADRO CC1(C)COC[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000573774539 531990384 /nfs/dbraw/zinc/99/03/84/531990384.db2.gz AOMXOSCQXJVYHK-DZGCQCFKSA-N 1 0 386.539 1.278 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000420013079 531996346 /nfs/dbraw/zinc/99/63/46/531996346.db2.gz IRDOSXCHLIXWJJ-CJNGLKHVSA-N 1 0 394.313 1.968 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)CC2 ZINC000420024972 531997092 /nfs/dbraw/zinc/99/70/92/531997092.db2.gz ASYFEIGDIYQSDD-OAHLLOKOSA-N 1 0 380.286 1.496 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000420018603 531997544 /nfs/dbraw/zinc/99/75/44/531997544.db2.gz YEQBCZWGVZQAIY-LLVKDONJSA-N 1 0 388.295 1.964 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(I)c(O)c1 ZINC000420017063 531995289 /nfs/dbraw/zinc/99/52/89/531995289.db2.gz NYTITNMKGVURDV-AWEZNQCLSA-N 1 0 392.237 1.429 20 0 GDADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1Cl ZINC000574876550 531999582 /nfs/dbraw/zinc/99/95/82/531999582.db2.gz JGXXLNVHTXUPAR-SNVBAGLBSA-N 1 0 399.296 1.367 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000370673847 532000147 /nfs/dbraw/zinc/00/01/47/532000147.db2.gz QFXBWMFXUQZJCG-QWRGUYRKSA-N 1 0 375.288 1.688 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N(CCOC)Cc1cc(Br)cs1 ZINC000420108862 532002412 /nfs/dbraw/zinc/00/24/12/532002412.db2.gz AKSPYACRPJSWMI-JTQLQIEISA-N 1 0 392.319 1.210 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420075051 532000973 /nfs/dbraw/zinc/00/09/73/532000973.db2.gz JGWXMJUYJRDUKP-UHFFFAOYSA-N 1 0 386.290 1.530 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420128101 532004273 /nfs/dbraw/zinc/00/42/73/532004273.db2.gz UGJHNMSXWHNWCJ-OAHLLOKOSA-N 1 0 388.331 1.975 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000420108512 532002977 /nfs/dbraw/zinc/00/29/77/532002977.db2.gz CIRYJPONQIFMQS-UGFHNGPFSA-N 1 0 395.301 1.622 20 0 GDADRO O=S(=O)(NCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)c1cccs1 ZINC000657413330 532005487 /nfs/dbraw/zinc/00/54/87/532005487.db2.gz LQTMKFJWJNKJJU-INIZCTEOSA-N 1 0 382.507 1.984 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000599102973 532006360 /nfs/dbraw/zinc/00/63/60/532006360.db2.gz HPSQXACJIAGAMA-JOYOIKCWSA-N 1 0 391.287 1.655 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2cnn3cc(Br)cnc23)CCSC1 ZINC000271345936 532005171 /nfs/dbraw/zinc/00/51/71/532005171.db2.gz GSCIKIQEDSQUIO-AWEZNQCLSA-N 1 0 384.303 1.659 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631887679 532007398 /nfs/dbraw/zinc/00/73/98/532007398.db2.gz TYTOKIJEAWYFBS-LRDDRELGSA-N 1 0 385.917 1.756 20 0 GDADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000420163345 532007973 /nfs/dbraw/zinc/00/79/73/532007973.db2.gz JSXPBFGXPLAJMV-UHFFFAOYSA-N 1 0 392.297 1.760 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(F)cncc2Br)CC1 ZINC000631887579 532008312 /nfs/dbraw/zinc/00/83/12/532008312.db2.gz PDKGIUBETAHULH-ZDUSSCGKSA-N 1 0 399.264 1.362 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420201072 532009539 /nfs/dbraw/zinc/00/95/39/532009539.db2.gz HEMYPFBBDULMEA-AEGPPILISA-N 1 0 394.313 1.912 20 0 GDADRO NC(=O)Cn1cc(C[NH2+]CC2(c3cccc(Br)c3)CCC2)nn1 ZINC000459375646 532013265 /nfs/dbraw/zinc/01/32/65/532013265.db2.gz QPLLGTHPINGRQV-UHFFFAOYSA-N 1 0 378.274 1.737 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@@]2(OCCO)CCOC2)cc1OC ZINC000657597167 532012494 /nfs/dbraw/zinc/01/24/94/532012494.db2.gz MVTOFSBIIUQJHR-INIZCTEOSA-N 1 0 390.274 1.724 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1Br ZINC000420434681 532013023 /nfs/dbraw/zinc/01/30/23/532013023.db2.gz RPIVCUNBNBRKJG-WPRPVWTQSA-N 1 0 379.276 1.577 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)[C@H]1SC ZINC000459425319 532014270 /nfs/dbraw/zinc/01/42/70/532014270.db2.gz HDWZSSUCNVQQAI-ARFHVFGLSA-N 1 0 388.559 1.072 20 0 GDADRO C[C@@H]1NC(=O)N(CC[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1=O ZINC000459445424 532014612 /nfs/dbraw/zinc/01/46/12/532014612.db2.gz OHXJWXVEKUYNSX-QPUJVOFHSA-N 1 0 379.766 1.922 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000420447477 532014641 /nfs/dbraw/zinc/01/46/41/532014641.db2.gz JPYVPFCUCGRBDA-RNCFNFMXSA-N 1 0 389.271 1.218 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1OC ZINC000420447138 532013999 /nfs/dbraw/zinc/01/39/99/532013999.db2.gz CHKBNKOWBYLHTJ-GXSJLCMTSA-N 1 0 376.862 1.541 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2cc3c(cc2Br)OCCO3)C1 ZINC000420454128 532016002 /nfs/dbraw/zinc/01/60/02/532016002.db2.gz VVKQCECCMRYKIS-ZJUUUORDSA-N 1 0 391.287 1.626 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000420456120 532017279 /nfs/dbraw/zinc/01/72/79/532017279.db2.gz YUGHFCAMEMXDFQ-OAHLLOKOSA-N 1 0 389.543 1.123 20 0 GDADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000420459389 532017438 /nfs/dbraw/zinc/01/74/38/532017438.db2.gz QXXFHQBEOTUJFV-LBPRGKRZSA-N 1 0 376.862 1.092 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371491779 532017587 /nfs/dbraw/zinc/01/75/87/532017587.db2.gz VXXIYZQHJINXIB-MNOVXSKESA-N 1 0 377.919 1.423 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000420454138 532015602 /nfs/dbraw/zinc/01/56/02/532015602.db2.gz VWHUTGKJYFIDRR-KGLIPLIRSA-N 1 0 389.543 1.123 20 0 GDADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)Cc1cn(CC(N)=O)nn1 ZINC000459509486 532018372 /nfs/dbraw/zinc/01/83/72/532018372.db2.gz YEMSXFMFKQLJHE-CQSZACIVSA-N 1 0 380.290 1.979 20 0 GDADRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000271478311 532018866 /nfs/dbraw/zinc/01/88/66/532018866.db2.gz JXFAAOWQFNAETN-KAEOHJDDSA-N 1 0 388.555 1.515 20 0 GDADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420466790 532019150 /nfs/dbraw/zinc/01/91/50/532019150.db2.gz BSRZVYGSZBBLNG-LBPRGKRZSA-N 1 0 376.862 1.173 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1F ZINC000599245631 532017985 /nfs/dbraw/zinc/01/79/85/532017985.db2.gz VAHVFCRPOYUCDP-ZWNOBZJWSA-N 1 0 376.425 1.712 20 0 GDADRO C[NH2+]CCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000420468070 532020400 /nfs/dbraw/zinc/02/04/00/532020400.db2.gz FMZPJIZVCYNPRA-MRXNPFEDSA-N 1 0 387.933 1.816 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271518839 532022184 /nfs/dbraw/zinc/02/21/84/532022184.db2.gz PFPADVBACGQZOM-DZGCQCFKSA-N 1 0 389.543 1.012 20 0 GDADRO Cc1cc(CC(C)(C)[NH2+]Cc2cn(CC(N)=O)nn2)ccc1Br ZINC000459561398 532022634 /nfs/dbraw/zinc/02/26/34/532022634.db2.gz RTJACYJRPJCTNC-UHFFFAOYSA-N 1 0 380.290 1.945 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000271536428 532023679 /nfs/dbraw/zinc/02/36/79/532023679.db2.gz YJEYMXCCWVVHLQ-UHFFFAOYSA-N 1 0 396.289 1.457 20 0 GDADRO CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000576521862 532023888 /nfs/dbraw/zinc/02/38/88/532023888.db2.gz YQEOGUODEAPPRT-ZIAGYGMSSA-N 1 0 396.285 1.599 20 0 GDADRO CSC1(CNC(=O)NCC2(S(C)(=O)=O)CCCC2)CC[NH+](C)CC1 ZINC000576678408 532025886 /nfs/dbraw/zinc/02/58/86/532025886.db2.gz OGQHPYBRQZLCIN-UHFFFAOYSA-N 1 0 377.576 1.470 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C1CCN(c2nccs2)CC1)c1cccs1 ZINC000271553278 532026396 /nfs/dbraw/zinc/02/63/96/532026396.db2.gz VLALEOHJPJZYMD-ZDUSSCGKSA-N 1 0 387.552 1.598 20 0 GDADRO Cn1nccc1[C@@H](CO)NCCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000459758554 532026745 /nfs/dbraw/zinc/02/67/45/532026745.db2.gz VNHYREWSUONJDG-GFCCVEGCSA-N 1 0 378.281 1.824 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)c1F ZINC000599332609 532028690 /nfs/dbraw/zinc/02/86/90/532028690.db2.gz UEBRHUZIRKLPCZ-UHFFFAOYSA-N 1 0 376.425 1.904 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000372607080 532037159 /nfs/dbraw/zinc/03/71/59/532037159.db2.gz CDOALXGTQRFAOH-CABCVRRESA-N 1 0 375.535 1.777 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cccnc2Br)CCSC1 ZINC000271667273 532037288 /nfs/dbraw/zinc/03/72/88/532037288.db2.gz PJYQUURTOFVMKQ-CQSZACIVSA-N 1 0 387.303 1.336 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1Br ZINC000372605036 532037495 /nfs/dbraw/zinc/03/74/95/532037495.db2.gz DUWYOCYUPYZEOX-CQSZACIVSA-N 1 0 382.302 1.585 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000372618053 532038008 /nfs/dbraw/zinc/03/80/08/532038008.db2.gz SSGWVWRDEVGUJP-CYBMUJFWSA-N 1 0 385.917 1.901 20 0 GDADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCCS(=O)(=O)NC(C)C 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PQZUKMHCNWMQGN-NSHDSACASA-N 1 0 391.287 1.608 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(Br)cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372860252 532050215 /nfs/dbraw/zinc/05/02/15/532050215.db2.gz ULJRFUFGNODLNG-CZUORRHYSA-N 1 0 381.318 1.942 20 0 GDADRO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@](O)(C(N)=O)C3)C2=O)ccc1Br ZINC000285234197 532052378 /nfs/dbraw/zinc/05/23/78/532052378.db2.gz YGGIUFCAAUYHLJ-WMLDXEAASA-N 1 0 396.285 1.175 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1F ZINC000271813166 532055448 /nfs/dbraw/zinc/05/54/48/532055448.db2.gz YRULHYSDWSKAHK-LBPRGKRZSA-N 1 0 393.506 1.348 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)C[C@H]1[NH+](C)C ZINC000271827254 532056244 /nfs/dbraw/zinc/05/62/44/532056244.db2.gz RKBZZYCWQIDIOH-ZIAGYGMSSA-N 1 0 392.493 1.942 20 0 GDADRO O=C1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCN1 ZINC000634981115 532057827 /nfs/dbraw/zinc/05/78/27/532057827.db2.gz YCDDPUWFGUWCHS-SNVBAGLBSA-N 1 0 380.297 1.530 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000315449266 532060317 /nfs/dbraw/zinc/06/03/17/532060317.db2.gz MLEGCELVSVHCCF-UHFFFAOYSA-N 1 0 390.303 1.401 20 0 GDADRO COC(=O)CNC(=O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467303066 532060526 /nfs/dbraw/zinc/06/05/26/532060526.db2.gz RQEYDNMVQJOTEO-UHFFFAOYSA-N 1 0 399.285 1.719 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000422472967 532063024 /nfs/dbraw/zinc/06/30/24/532063024.db2.gz DRJJOZMPIUXKIH-OAHLLOKOSA-N 1 0 382.302 1.660 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000468003614 532063462 /nfs/dbraw/zinc/06/34/62/532063462.db2.gz JLAGHYPOMRWBPA-OAHLLOKOSA-N 1 0 379.592 1.382 20 0 GDADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635414968 532064134 /nfs/dbraw/zinc/06/41/34/532064134.db2.gz FHNFDZIYIZNMLJ-VJTDZRGJSA-N 1 0 384.464 1.692 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000579710766 532064273 /nfs/dbraw/zinc/06/42/73/532064273.db2.gz STGVIDBSBKGKSV-JQWIXIFHSA-N 1 0 394.269 1.644 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422489360 532064525 /nfs/dbraw/zinc/06/45/25/532064525.db2.gz PIHPYZGBYDYHBJ-LBPRGKRZSA-N 1 0 386.290 1.849 20 0 GDADRO CC(C)(C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)NS(C)(=O)=O ZINC000320521952 532067680 /nfs/dbraw/zinc/06/76/80/532067680.db2.gz CQNNRIOLINMXQX-NSHDSACASA-N 1 0 385.313 1.651 20 0 GDADRO OC[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)Cc1ccc(Br)cc1 ZINC000423076914 532071028 /nfs/dbraw/zinc/07/10/28/532071028.db2.gz SBWUZGBILILQAT-WBAXXEDZSA-N 1 0 383.330 1.957 20 0 GDADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(O)ccc1Br)CCO2 ZINC000272059598 532073723 /nfs/dbraw/zinc/07/37/23/532073723.db2.gz NGMREDJSXRTYQD-IUODEOHRSA-N 1 0 390.299 1.981 20 0 GDADRO CC[NH+]1CCN(CC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000469336063 532072605 /nfs/dbraw/zinc/07/26/05/532072605.db2.gz REKMHCDWQNPUAB-KRWDZBQOSA-N 1 0 396.329 1.987 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423105524 532072687 /nfs/dbraw/zinc/07/26/87/532072687.db2.gz QRBVWSMCSOVFCB-CABCVRRESA-N 1 0 394.313 1.866 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000423204123 532074527 /nfs/dbraw/zinc/07/45/27/532074527.db2.gz NQRPCPPBQUWDNO-LSDHHAIUSA-N 1 0 396.285 1.299 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000423650920 532077912 /nfs/dbraw/zinc/07/79/12/532077912.db2.gz LFXKKUIBWJHHDI-QWRGUYRKSA-N 1 0 386.265 1.742 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2F)[C@H](C)C[NH2+]1 ZINC000423638690 532078046 /nfs/dbraw/zinc/07/80/46/532078046.db2.gz VEICYJRVDPZBLW-GHMZBOCLSA-N 1 0 386.265 1.755 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cc(F)cc(Br)c3)[C@@H]2C1 ZINC000285395569 532078113 /nfs/dbraw/zinc/07/81/13/532078113.db2.gz IHIPFONRXLHLOT-IUODEOHRSA-N 1 0 398.276 1.757 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCOc3cccc(Cl)c3Cl)C[C@@H]12 ZINC000581240890 532078521 /nfs/dbraw/zinc/07/85/21/532078521.db2.gz IDEMMXUKZIERIN-DMDPSCGWSA-N 1 0 386.279 1.684 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423488153 532075948 /nfs/dbraw/zinc/07/59/48/532075948.db2.gz VXKINLRUNQTBHA-RYUDHWBXSA-N 1 0 396.285 1.081 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)c(F)c2)C1 ZINC000423501295 532076456 /nfs/dbraw/zinc/07/64/56/532076456.db2.gz JIMOIXXQLUEVAJ-LBPRGKRZSA-N 1 0 386.265 1.615 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000423497040 532076780 /nfs/dbraw/zinc/07/67/80/532076780.db2.gz FWPSBJBWDCQTRS-NEPJUHHUSA-N 1 0 398.301 1.612 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423501474 532077016 /nfs/dbraw/zinc/07/70/16/532077016.db2.gz DPVMTMODPCZHBQ-YPMHNXCESA-N 1 0 386.279 1.780 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000423497042 532077072 /nfs/dbraw/zinc/07/70/72/532077072.db2.gz FWPSBJBWDCQTRS-RYUDHWBXSA-N 1 0 398.301 1.612 20 0 GDADRO C[S@](=O)C1(C(=O)NCCOc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000602446449 532077447 /nfs/dbraw/zinc/07/74/47/532077447.db2.gz DEZDTIAAGHAGEH-QHCPKHFHSA-N 1 0 379.309 1.989 20 0 GDADRO C[S@](=O)C1(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC[NH2+]CC1 ZINC000602503442 532078953 /nfs/dbraw/zinc/07/89/53/532078953.db2.gz OPTAMAHRTVLQSL-VDBVYFBLSA-N 1 0 387.908 1.675 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000423727073 532079395 /nfs/dbraw/zinc/07/93/95/532079395.db2.gz UXFYRFRYBRLHIP-LBPRGKRZSA-N 1 0 398.301 1.625 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000423724503 532080006 /nfs/dbraw/zinc/08/00/06/532080006.db2.gz RLWCYPMYBNOZKN-SECBINFHSA-N 1 0 376.682 1.867 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)NCc1cc(Br)ccc1Br ZINC000423755980 532080244 /nfs/dbraw/zinc/08/02/44/532080244.db2.gz KLSKZPAERKFYRU-JTQLQIEISA-N 1 0 394.063 1.718 20 0 GDADRO OCC[C@@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 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1.769 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424536813 532098127 /nfs/dbraw/zinc/09/81/27/532098127.db2.gz BNWGWVHXJQIRQK-QWHCGFSZSA-N 1 0 381.889 1.047 20 0 GDADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000604764617 532099626 /nfs/dbraw/zinc/09/96/26/532099626.db2.gz XHLODZDTPPYFKR-HUUCEWRRSA-N 1 0 388.555 1.772 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000373885703 532101525 /nfs/dbraw/zinc/10/15/25/532101525.db2.gz MTGOOBCMOLYRME-BXUZGUMPSA-N 1 0 388.331 1.888 20 0 GDADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)c3cccc(Br)c3)[C@@H]2C1 ZINC000285674550 532103587 /nfs/dbraw/zinc/10/35/87/532103587.db2.gz HINMCNFBSYGLBA-CABCVRRESA-N 1 0 396.285 1.110 20 0 GDADRO CN(CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000272542701 532103682 /nfs/dbraw/zinc/10/36/82/532103682.db2.gz CFOIBHMUQKBTSU-XJKSGUPXSA-N 1 0 385.917 1.513 20 0 GDADRO 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Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cnc1Br ZINC000273022090 532129670 /nfs/dbraw/zinc/12/96/70/532129670.db2.gz ZNZPUBLCJNFIMY-MFKMUULPSA-N 1 0 381.274 1.690 20 0 GDADRO CN(CC[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O)S(=O)(=O)c1cccs1 ZINC000273037692 532130478 /nfs/dbraw/zinc/13/04/78/532130478.db2.gz UIWKODZHVNFSAT-AWEZNQCLSA-N 1 0 385.486 1.194 20 0 GDADRO CC(=O)[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000330861260 532131589 /nfs/dbraw/zinc/13/15/89/532131589.db2.gz PXNWDZTVKWATQX-MRXNPFEDSA-N 1 0 384.274 1.835 20 0 GDADRO COc1cc2[nH+]ccc(N3CCN(CC(N)=O)C(=O)C3)c2cc1Br ZINC000425266579 532133350 /nfs/dbraw/zinc/13/33/50/532133350.db2.gz IFOCTKZEWBJEDF-UHFFFAOYSA-N 1 0 393.241 1.140 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000331780231 532152396 /nfs/dbraw/zinc/15/23/96/532152396.db2.gz PKWHTRPPASXQPA-RVBZMBCESA-N 1 0 380.242 1.382 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1F ZINC000273528658 532154640 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1.957 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000331559722 532149046 /nfs/dbraw/zinc/14/90/46/532149046.db2.gz FTCQDVYGQNZTCA-QWRGUYRKSA-N 1 0 386.315 1.537 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000332142820 532166039 /nfs/dbraw/zinc/16/60/39/532166039.db2.gz KXOFVGJCPRRTQD-ZDUSSCGKSA-N 1 0 382.258 1.339 20 0 GDADRO C[C@@H]1CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)[C@@H](C)C[N@@H+]1C ZINC000332150729 532167070 /nfs/dbraw/zinc/16/70/70/532167070.db2.gz INPYCHLDOLBVID-MNOVXSKESA-N 1 0 394.269 1.596 20 0 GDADRO CS[C@@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000273539752 532155764 /nfs/dbraw/zinc/15/57/64/532155764.db2.gz SVTJEKGPXMHZTP-VXGBXAGGSA-N 1 0 375.541 1.047 20 0 GDADRO CC[C@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1ccc(Cl)s1 ZINC000273556703 532156542 /nfs/dbraw/zinc/15/65/42/532156542.db2.gz YPCGVDABPWULFP-NSHDSACASA-N 1 0 381.951 1.840 20 0 GDADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+]C(C)(C)CC(N)=O ZINC000273569356 532157603 /nfs/dbraw/zinc/15/76/03/532157603.db2.gz XTUIPZIPIBYSIY-UHFFFAOYSA-N 1 0 376.240 1.962 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(OCCN2CCOC[C@H]2CC(F)F)cc1 ZINC000286565842 532159732 /nfs/dbraw/zinc/15/97/32/532159732.db2.gz UELNCZZCUJPBGE-CYBMUJFWSA-N 1 0 378.441 1.672 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCc2cnc3n2CCCC3)c(Br)n1 ZINC000375338187 532160339 /nfs/dbraw/zinc/16/03/39/532160339.db2.gz WZOVVFNZDAVFOP-UHFFFAOYSA-N 1 0 392.257 1.940 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000286598406 532163275 /nfs/dbraw/zinc/16/32/75/532163275.db2.gz GTWSDOVLXUBOBB-ZDUSSCGKSA-N 1 0 377.532 1.457 20 0 GDADRO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332298351 532178084 /nfs/dbraw/zinc/17/80/84/532178084.db2.gz KRWUCOGLMJZCMH-BDAKNGLRSA-N 1 0 388.212 1.734 20 0 GDADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332370761 532183089 /nfs/dbraw/zinc/18/30/89/532183089.db2.gz YVPALYYANYANRB-DTWKUNHWSA-N 1 0 388.212 1.734 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ncc1Br ZINC000332381932 532183759 /nfs/dbraw/zinc/18/37/59/532183759.db2.gz VFUJQIBSUGQVLO-GMXVVIOVSA-N 1 0 381.274 1.677 20 0 GDADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1nnc2ccc(Br)cn21 ZINC000332240960 532174039 /nfs/dbraw/zinc/17/40/39/532174039.db2.gz IYRKSRFSHZTDFA-LBPRGKRZSA-N 1 0 381.278 2.296 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)CCCO1 ZINC000332244105 532174309 /nfs/dbraw/zinc/17/43/09/532174309.db2.gz WKACIYHVRHRWKP-MRVPVSSYSA-N 1 0 385.230 1.466 20 0 GDADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332258805 532175670 /nfs/dbraw/zinc/17/56/70/532175670.db2.gz DBTJVAQSKIEZDK-DTWKUNHWSA-N 1 0 388.212 1.734 20 0 GDADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Br)c2c(c1)OCCO2 ZINC000332505191 532191033 /nfs/dbraw/zinc/19/10/33/532191033.db2.gz SKZDTJUREWNPLT-CYBMUJFWSA-N 1 0 399.285 1.797 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000332515782 532191599 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GDADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000376096895 532195471 /nfs/dbraw/zinc/19/54/71/532195471.db2.gz OZBQUUITEGNYDD-OLZOCXBDSA-N 1 0 387.527 1.204 20 0 GDADRO O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccc(I)cc1 ZINC000428042335 532196392 /nfs/dbraw/zinc/19/63/92/532196392.db2.gz LPSCNNMPKOIUED-RISCZKNCSA-N 1 0 385.249 1.914 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C[C@@H](C)[NH2+]1 ZINC000332578391 532197033 /nfs/dbraw/zinc/19/70/33/532197033.db2.gz DVZXEWBSLQHJRW-GHMZBOCLSA-N 1 0 398.276 1.682 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000286934423 532186990 /nfs/dbraw/zinc/18/69/90/532186990.db2.gz DXRPFUXZJKIOLZ-YGRLFVJLSA-N 1 0 389.880 1.825 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC[NH2+]1 ZINC000332459454 532188147 /nfs/dbraw/zinc/18/81/47/532188147.db2.gz HKLRULQJHHQLSF-IAQYHMDHSA-N 1 0 380.286 1.591 20 0 GDADRO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H](C)C[NH2+]1 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385.555 1.890 20 0 GDADRO O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NC1CC[NH2+]CC1 ZINC000428739793 532216105 /nfs/dbraw/zinc/21/61/05/532216105.db2.gz JCMPTAVWNSHIME-UHFFFAOYSA-N 1 0 380.242 1.303 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000429341133 532227613 /nfs/dbraw/zinc/22/76/13/532227613.db2.gz YFFWXKSDIXSMEJ-NEPJUHHUSA-N 1 0 398.301 1.722 20 0 GDADRO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000333275729 532228177 /nfs/dbraw/zinc/22/81/77/532228177.db2.gz LKECYBVCSFXXAV-HNNXBMFYSA-N 1 0 385.555 1.796 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)cc1Br ZINC000429432905 532228605 /nfs/dbraw/zinc/22/86/05/532228605.db2.gz XONIWSBFPSSPAL-LLVKDONJSA-N 1 0 394.335 1.941 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000429460263 532228914 /nfs/dbraw/zinc/22/89/14/532228914.db2.gz XLTOUDPWVRNLOZ-CYBMUJFWSA-N 1 0 394.310 1.998 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000429438828 532229071 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C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CSCCS1)Cc1ccc(F)cc1 ZINC000287694254 532234585 /nfs/dbraw/zinc/23/45/85/532234585.db2.gz RGMIKXBFJKTFNA-OAHLLOKOSA-N 1 0 385.530 1.339 20 0 GDADRO CCN1CCOC[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000376548707 532219452 /nfs/dbraw/zinc/21/94/52/532219452.db2.gz RDAOUUQBYLFCMX-AWEZNQCLSA-N 1 0 384.274 1.615 20 0 GDADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCCCCCC[NH+](C)C)C1 ZINC000376608932 532221659 /nfs/dbraw/zinc/22/16/59/532221659.db2.gz HOFAMYHGCBXAKU-INIZCTEOSA-N 1 0 376.567 1.564 20 0 GDADRO OC[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(Br)c(F)c1 ZINC000429025469 532221980 /nfs/dbraw/zinc/22/19/80/532221980.db2.gz BFVOIOKVBVQTLG-BLLLJJGKSA-N 1 0 392.265 1.768 20 0 GDADRO O=C(Nc1nc2c(s1)CSCC2)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000376651540 532222643 /nfs/dbraw/zinc/22/26/43/532222643.db2.gz FWFURGWNJQBOMB-UHFFFAOYSA-N 1 0 380.539 1.862 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000274687023 532225516 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GDADRO CC[NH+]1CCN(CC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000430119707 532241925 /nfs/dbraw/zinc/24/19/25/532241925.db2.gz IOKZZRDEBPNUKJ-INIZCTEOSA-N 1 0 398.345 1.354 20 0 GDADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000333608339 532242009 /nfs/dbraw/zinc/24/20/09/532242009.db2.gz WHAUYNIJFHXQKL-AWEZNQCLSA-N 1 0 385.555 1.722 20 0 GDADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1F ZINC000333632338 532242651 /nfs/dbraw/zinc/24/26/51/532242651.db2.gz BAUBBAAAPYQFGM-UHFFFAOYSA-N 1 0 375.897 1.974 20 0 GDADRO O=S(=O)(C1CC[NH+](C[C@H](O)COCc2cccs2)CC1)N1CCCC1 ZINC000377119440 532243180 /nfs/dbraw/zinc/24/31/80/532243180.db2.gz JIJGVIGVAFZVHC-HNNXBMFYSA-N 1 0 388.555 1.516 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)C1 ZINC000333668348 532244267 /nfs/dbraw/zinc/24/42/67/532244267.db2.gz MRKUTFWOFCMTJW-BYCMXARLSA-N 1 0 395.301 1.759 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000333692826 532244998 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20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000333797455 532250957 /nfs/dbraw/zinc/25/09/57/532250957.db2.gz HFNUMDJBWNPADT-DFBGVHRSSA-N 1 0 395.301 1.772 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000333854775 532252027 /nfs/dbraw/zinc/25/20/27/532252027.db2.gz YATLRMRYAQTQMQ-LBPRGKRZSA-N 1 0 385.295 1.956 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000333855095 532252297 /nfs/dbraw/zinc/25/22/97/532252297.db2.gz YBLZQQVNORMLHX-SMDDNHRTSA-N 1 0 384.249 1.828 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000287939005 532252573 /nfs/dbraw/zinc/25/25/73/532252573.db2.gz KIVAJEMOQTUYML-KGLIPLIRSA-N 1 0 386.543 1.247 20 0 GDADRO CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1 ZINC000274843305 532236874 /nfs/dbraw/zinc/23/68/74/532236874.db2.gz SJEHVSNSSIYRMC-HZPDHXFCSA-N 1 0 383.539 1.247 20 0 GDADRO Cn1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc(Br)c1=O 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KOUVCCHYMKOGQR-RYUDHWBXSA-N 1 0 388.921 1.198 20 0 GDADRO O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000431052351 532259953 /nfs/dbraw/zinc/25/99/53/532259953.db2.gz WJMAOMHKWURDSN-BBRMVZONSA-N 1 0 382.302 1.770 20 0 GDADRO COCC[C@@]1(C(=O)NCc2cn3cc(Br)ccc3n2)CC[NH2+]C1 ZINC000431068544 532259977 /nfs/dbraw/zinc/25/99/77/532259977.db2.gz YSEADOHAXSBHJQ-INIZCTEOSA-N 1 0 381.274 1.729 20 0 GDADRO C[N@@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@H](O)COCC(F)(F)F ZINC000431140437 532261133 /nfs/dbraw/zinc/26/11/33/532261133.db2.gz QVUUBBZAFZAYKX-UONOGXRCSA-N 1 0 382.448 1.993 20 0 GDADRO NC(=O)C[C@H]1CC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000377498878 532261543 /nfs/dbraw/zinc/26/15/43/532261543.db2.gz ZKZKBBWLBDMELF-SNVBAGLBSA-N 1 0 387.221 1.427 20 0 GDADRO CS[C@H]1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000275089796 532263641 /nfs/dbraw/zinc/26/36/41/532263641.db2.gz HRQLXBOULBJOSG-HOTGVXAUSA-N 1 0 383.539 1.127 20 0 GDADRO CC[N@@H+]1CC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)C1 ZINC000334126936 532263880 /nfs/dbraw/zinc/26/38/80/532263880.db2.gz QDXDFJZLUOGALN-CABCVRRESA-N 1 0 395.301 1.726 20 0 GDADRO CS[C@@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)C[C@H]1[NH+]1CCCC1 ZINC000275096270 532264261 /nfs/dbraw/zinc/26/42/61/532264261.db2.gz PWTKBQSZWQTLRK-IAGOWNOFSA-N 1 0 385.555 1.224 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@H](C)CC[NH+](C)C)s1 ZINC000275103299 532265422 /nfs/dbraw/zinc/26/54/22/532265422.db2.gz UKQLFXTWYFTOCS-MRVPVSSYSA-N 1 0 399.332 1.916 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000275119369 532266601 /nfs/dbraw/zinc/26/66/01/532266601.db2.gz IUPPHWVPKKLSHD-GXSJLCMTSA-N 1 0 384.221 1.667 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000431510234 532267093 /nfs/dbraw/zinc/26/70/93/532267093.db2.gz XYKVHGNEERPRMI-OAHLLOKOSA-N 1 0 381.523 1.965 20 0 GDADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000275206993 532276572 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WHSBCIWWVOHXKX-UHFFFAOYSA-N 1 0 390.923 1.910 20 0 GDADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000819914557 607336777 /nfs/dbraw/zinc/33/67/77/607336777.db2.gz WXWGYKWWDHESNM-UHFFFAOYSA-N 1 0 389.435 1.277 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821241848 607340641 /nfs/dbraw/zinc/34/06/41/607340641.db2.gz PDCDDMQVFOCKSB-UHFFFAOYSA-N 1 0 389.435 1.183 20 0 GDADRO C[N@H+](CC1CCCC1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736793749 598234669 /nfs/dbraw/zinc/23/46/69/598234669.db2.gz LCMACKAOJWTTNV-LJQANCHMSA-N 1 0 383.456 1.713 20 0 GDADRO C[C@@]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)(C(N)=O)c1ccccc1 ZINC000736133655 598249455 /nfs/dbraw/zinc/24/94/55/598249455.db2.gz IPZBDGYCXSPYFL-KRWDZBQOSA-N 1 0 385.453 1.247 20 0 GDADRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735684928 598299680 /nfs/dbraw/zinc/29/96/80/598299680.db2.gz LINGEZSZCFGVHN-OAHLLOKOSA-N 1 0 399.499 1.680 20 0 GDADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735684927 598299942 /nfs/dbraw/zinc/29/99/42/598299942.db2.gz LINGEZSZCFGVHN-HNNXBMFYSA-N 1 0 399.499 1.680 20 0 GDADRO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736569795 598301869 /nfs/dbraw/zinc/30/18/69/598301869.db2.gz IXIQIXBYXUNEKO-HNNXBMFYSA-N 1 0 384.488 1.183 20 0 GDADRO C[N@@H+]1CCCN(CCNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736857704 598322447 /nfs/dbraw/zinc/32/24/47/598322447.db2.gz SSDJVGRQZIIXEL-UHFFFAOYSA-N 1 0 394.936 1.444 20 0 GDADRO C[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000736267956 598325075 /nfs/dbraw/zinc/32/50/75/598325075.db2.gz VGTRNJQBPZHNGV-CHWSQXEVSA-N 1 0 375.452 1.925 20 0 GDADRO C[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000736267962 598325265 /nfs/dbraw/zinc/32/52/65/598325265.db2.gz VGTRNJQBPZHNGV-STQMWFEESA-N 1 0 375.452 1.925 20 0 GDADRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)CC[N@@H+]1CCOC 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ZJAFULWGYKJEPY-MAUKXSAKSA-N 1 0 384.484 1.967 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736768700 598424550 /nfs/dbraw/zinc/42/45/50/598424550.db2.gz HWZCCWDXJCRGDK-UHFFFAOYSA-N 1 0 381.440 1.231 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736323135 598430015 /nfs/dbraw/zinc/43/00/15/598430015.db2.gz URDBUDNVAHNQMH-OAHLLOKOSA-N 1 0 386.504 1.429 20 0 GDADRO O=C1[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291310 598471361 /nfs/dbraw/zinc/47/13/61/598471361.db2.gz UFDVRIXLRRCIEH-ROUUACIJSA-N 1 0 381.484 1.532 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000737287121 598485572 /nfs/dbraw/zinc/48/55/72/598485572.db2.gz BUUVTJSGDKJBKG-OAHLLOKOSA-N 1 0 383.456 1.200 20 0 GDADRO CCOC(=O)N[C@H](C[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)CC(C)C ZINC000736601239 598493400 /nfs/dbraw/zinc/49/34/00/598493400.db2.gz UHUHPOCDOZKDOM-ZDUSSCGKSA-N 1 0 387.448 1.160 20 0 GDADRO O=C(Nc1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000738162343 598516997 /nfs/dbraw/zinc/51/69/97/598516997.db2.gz BEMXAJACJJXQTJ-LBPRGKRZSA-N 1 0 389.847 1.059 20 0 GDADRO CN(C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(F)c1 ZINC000736760124 598517403 /nfs/dbraw/zinc/51/74/03/598517403.db2.gz PKBMVKKPDFHFLH-WBMJQRKESA-N 1 0 385.451 1.137 20 0 GDADRO c1cn(CCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc12 ZINC000738442941 598517472 /nfs/dbraw/zinc/51/74/72/598517472.db2.gz SKARDFNVQKSSAV-CQSZACIVSA-N 1 0 377.456 1.740 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(-n2cncn2)cc1 ZINC000736137846 598518127 /nfs/dbraw/zinc/51/81/27/598518127.db2.gz YNNHUVMXCJSEFP-STQMWFEESA-N 1 0 391.443 1.036 20 0 GDADRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000737615700 598521738 /nfs/dbraw/zinc/52/17/38/598521738.db2.gz KPUOSHXHDXWFDQ-CJNGLKHVSA-N 1 0 390.455 1.218 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)C2 ZINC000738429216 598526685 /nfs/dbraw/zinc/52/66/85/598526685.db2.gz VWNJGZISPCRITR-LESCRADOSA-N 1 0 394.483 1.862 20 0 GDADRO Fc1ccc(N2CC[C@@H](C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)cc1 ZINC000737659540 598527032 /nfs/dbraw/zinc/52/70/32/598527032.db2.gz IULYIUCOQBXDNP-UONOGXRCSA-N 1 0 397.462 1.360 20 0 GDADRO COc1ccc(COCCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000737098771 598529937 /nfs/dbraw/zinc/52/99/37/598529937.db2.gz ZMRYRQVQZWFCAF-OAHLLOKOSA-N 1 0 398.471 1.310 20 0 GDADRO COC(=O)CC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736909988 598530931 /nfs/dbraw/zinc/53/09/31/598530931.db2.gz AHDOMPNMUBNGTA-CJNGLKHVSA-N 1 0 396.455 1.389 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735876194 598596020 /nfs/dbraw/zinc/59/60/20/598596020.db2.gz WVBLWLBFVOHGJN-YJBOKZPZSA-N 1 0 383.500 1.682 20 0 GDADRO C[C@](CO)([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccccc1 ZINC000736026170 598617935 /nfs/dbraw/zinc/61/79/35/598617935.db2.gz LXNQVSFXRJDALR-GOSISDBHSA-N 1 0 386.843 1.956 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736860792 598618605 /nfs/dbraw/zinc/61/86/05/598618605.db2.gz WLBCZIMGCIRAKF-GOSISDBHSA-N 1 0 385.516 1.347 20 0 GDADRO O=C1[C@H]([NH+]2CCC(n3ccnc3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738289093 598620421 /nfs/dbraw/zinc/62/04/21/598620421.db2.gz GJRRJUROYCPBQM-QGZVFWFLSA-N 1 0 378.440 1.506 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cnn2ccccc12 ZINC000736767624 598626726 /nfs/dbraw/zinc/62/67/26/598626726.db2.gz RPOAHXWNWBMHQM-UHFFFAOYSA-N 1 0 390.451 1.718 20 0 GDADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736264795 598691646 /nfs/dbraw/zinc/69/16/46/598691646.db2.gz GPLNKFSHEKYBMW-LBPRGKRZSA-N 1 0 396.492 1.795 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000737007016 598713795 /nfs/dbraw/zinc/71/37/95/598713795.db2.gz KITWDJPETKARTM-CQSZACIVSA-N 1 0 390.492 1.656 20 0 GDADRO CC(C)C[N@H+](CCCS(=O)(=O)N(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735828019 598715908 /nfs/dbraw/zinc/71/59/08/598715908.db2.gz YCDOSZROFJRFCJ-UHFFFAOYSA-N 1 0 380.518 1.606 20 0 GDADRO C[NH+](C)CCNC(=S)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736769059 598733216 /nfs/dbraw/zinc/73/32/16/598733216.db2.gz OALJVRWGPAUODD-UHFFFAOYSA-N 1 0 375.502 1.146 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736846685 598754699 /nfs/dbraw/zinc/75/46/99/598754699.db2.gz AHRAYTDJGGWUSO-UHFFFAOYSA-N 1 0 395.471 1.048 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000669628166 598756603 /nfs/dbraw/zinc/75/66/03/598756603.db2.gz RCVHWZDZOYLHAB-CABCVRRESA-N 1 0 396.904 1.767 20 0 GDADRO CC[NH+]1CCC(NC(=O)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000736568861 598802251 /nfs/dbraw/zinc/80/22/51/598802251.db2.gz DDQGYRYSDSPHRO-UHFFFAOYSA-N 1 0 380.456 1.331 20 0 GDADRO CC(C)n1ccc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000735959848 598809739 /nfs/dbraw/zinc/80/97/39/598809739.db2.gz CZVYQUHGWUZVPC-UHFFFAOYSA-N 1 0 394.483 1.992 20 0 GDADRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736407383 599300620 /nfs/dbraw/zinc/30/06/20/599300620.db2.gz GMMOSADGXDPVQI-BJJXKVORSA-N 1 0 385.472 1.430 20 0 GDADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000736195332 599319044 /nfs/dbraw/zinc/31/90/44/599319044.db2.gz GAFFIUZSDRBLGB-MRXNPFEDSA-N 1 0 397.527 1.804 20 0 GDADRO COCCOC[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000821692117 599330077 /nfs/dbraw/zinc/33/00/77/599330077.db2.gz OPDFATIVSSVXHW-OAHLLOKOSA-N 1 0 383.456 1.673 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)c(-c2nn[nH]n2)c1C ZINC000737548363 599355570 /nfs/dbraw/zinc/35/55/70/599355570.db2.gz OZJOHXKIDTYKIH-JSGCOSHPSA-N 1 0 375.477 1.677 20 0 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ZINC000736972098 599506375 /nfs/dbraw/zinc/50/63/75/599506375.db2.gz WEOYCVWQQPNFBM-AWEZNQCLSA-N 1 0 375.477 1.222 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000821686958 599550881 /nfs/dbraw/zinc/55/08/81/599550881.db2.gz HGEHHEJPDBLRIC-UHFFFAOYSA-N 1 0 378.481 1.513 20 0 GDADRO CC[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000820931639 599561211 /nfs/dbraw/zinc/56/12/11/599561211.db2.gz HWWXAXPYEDJEAO-GFCCVEGCSA-N 1 0 389.410 1.586 20 0 GDADRO O=C(CCN1CCC[N@H+](C[C@@H]2CCCO2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842356 599587011 /nfs/dbraw/zinc/58/70/11/599587011.db2.gz ASKLJHLHQGNDGS-INIZCTEOSA-N 1 0 399.499 1.382 20 0 GDADRO COC(=O)CC[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC000821661642 599594902 /nfs/dbraw/zinc/59/49/02/599594902.db2.gz RPFPPSPFPGBWRW-UHFFFAOYSA-N 1 0 389.456 1.680 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738348504 599597927 /nfs/dbraw/zinc/59/79/27/599597927.db2.gz UUAOZJABQHQLCQ-OAHLLOKOSA-N 1 0 376.486 1.506 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821182572 599616099 /nfs/dbraw/zinc/61/60/99/599616099.db2.gz WVASBMGGSQDAKU-LBPRGKRZSA-N 1 0 389.435 1.135 20 0 GDADRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821170665 599638424 /nfs/dbraw/zinc/63/84/24/599638424.db2.gz VFYUVMKARVRFSD-INIZCTEOSA-N 1 0 385.472 1.528 20 0 GDADRO O=C(CC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964896 599638961 /nfs/dbraw/zinc/63/89/61/599638961.db2.gz SIQNBQBJWNYMAX-OCCSQVGLSA-N 1 0 384.362 1.583 20 0 GDADRO O=C(c1sccc1-c1nn[nH]n1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823498437 599656206 /nfs/dbraw/zinc/65/62/06/599656206.db2.gz PTLSFBNMTVKWKR-UHFFFAOYSA-N 1 0 376.486 1.645 20 0 GDADRO C[C@@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)C[NH+]1CCCCC1 ZINC000820269490 599671001 /nfs/dbraw/zinc/67/10/01/599671001.db2.gz LLJRWEORIGHXBF-ZDUSSCGKSA-N 1 0 375.452 1.927 20 0 GDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000821586443 599675056 /nfs/dbraw/zinc/67/50/56/599675056.db2.gz YDPISOUDOFASIH-HNNXBMFYSA-N 1 0 391.451 1.258 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC[N@@H+]1C ZINC000820657486 599676343 /nfs/dbraw/zinc/67/63/43/599676343.db2.gz LXSJBYIICJLULW-GJZGRUSLSA-N 1 0 384.488 1.181 20 0 GDADRO CN(CC[NH2+]Cc1cc(-c2nn[nH]n2)cs1)S(=O)(=O)c1cccs1 ZINC000821602724 607390249 /nfs/dbraw/zinc/39/02/49/607390249.db2.gz QEVRRCWUXWMDBR-UHFFFAOYSA-N 1 0 384.512 1.400 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000825870561 607394526 /nfs/dbraw/zinc/39/45/26/607394526.db2.gz RMTWJPLKUKLKBI-UHFFFAOYSA-N 1 0 381.444 1.436 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)C1 ZINC000737113464 600122935 /nfs/dbraw/zinc/12/29/35/600122935.db2.gz UMARXSSOTRIBNY-INIZCTEOSA-N 1 0 389.500 1.357 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000819877422 607448776 /nfs/dbraw/zinc/44/87/76/607448776.db2.gz VSFRJZVNDSVJSF-RYUDHWBXSA-N 1 0 387.513 1.524 20 0 GDADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000819864931 607448831 /nfs/dbraw/zinc/44/88/31/607448831.db2.gz ABZJAZZEHARNOF-DGCLKSJQSA-N 1 0 393.879 1.110 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826435389 607456125 /nfs/dbraw/zinc/45/61/25/607456125.db2.gz NCVHUZKLRYCUMX-HOTGVXAUSA-N 1 0 383.456 1.018 20 0 GDADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000824763050 607470379 /nfs/dbraw/zinc/47/03/79/607470379.db2.gz JTAIGQILUMTJQO-KGLIPLIRSA-N 1 0 390.455 1.576 20 0 GDADRO O=C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826410598 607478025 /nfs/dbraw/zinc/47/80/25/607478025.db2.gz RVQHUTHJPUWDET-IUODEOHRSA-N 1 0 387.513 1.815 20 0 GDADRO COc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826194341 607484402 /nfs/dbraw/zinc/48/44/02/607484402.db2.gz JVIADKRBMXVPMB-UHFFFAOYSA-N 1 0 399.499 1.005 20 0 GDADRO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820995343 607485492 /nfs/dbraw/zinc/48/54/92/607485492.db2.gz PWFQDCFQDZYODI-NHYWBVRUSA-N 1 0 382.465 1.156 20 0 GDADRO Cc1cc(NC(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)n(C2CC[NH+](C)CC2)n1 ZINC000832894906 601198873 /nfs/dbraw/zinc/19/88/73/601198873.db2.gz PJQQEVCGBHGBSE-HNNXBMFYSA-N 1 0 392.504 1.471 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000825453732 607512788 /nfs/dbraw/zinc/51/27/88/607512788.db2.gz WOXJHOMMVPQHLZ-RHSMWYFYSA-N 1 0 387.488 1.617 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@H]1CCCN(Cc2noc(C)n2)C1 ZINC000826181661 607525914 /nfs/dbraw/zinc/52/59/14/607525914.db2.gz JPSWJDQZYQDQEO-INIZCTEOSA-N 1 0 398.471 1.663 20 0 GDADRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000825915316 607526837 /nfs/dbraw/zinc/52/68/37/607526837.db2.gz XRADFNUQOSXMCM-INIZCTEOSA-N 1 0 380.456 1.938 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825460463 607529250 /nfs/dbraw/zinc/52/92/50/607529250.db2.gz XWLAHTHOERLANU-ZDUSSCGKSA-N 1 0 375.502 1.324 20 0 GDADRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824429037 607538783 /nfs/dbraw/zinc/53/87/83/607538783.db2.gz VKFORMICZRQTIH-GFCCVEGCSA-N 1 0 386.460 1.765 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1-c1nn[nH]n1 ZINC000826301972 607549533 /nfs/dbraw/zinc/54/95/33/607549533.db2.gz WOSMXZVHLJDSHK-CABCVRRESA-N 1 0 390.513 1.811 20 0 GDADRO O=C(C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826410201 607556552 /nfs/dbraw/zinc/55/65/52/607556552.db2.gz GIIVBRQJNWMOCJ-NWDGAFQWSA-N 1 0 376.848 1.817 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738622598 602531132 /nfs/dbraw/zinc/53/11/32/602531132.db2.gz FFDLEIRSTSLMQS-NEWSRXKRSA-N 1 0 388.512 1.697 20 0 GDADRO COc1ccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)cc1-c1nn[nH]n1 ZINC000826199994 607575794 /nfs/dbraw/zinc/57/57/94/607575794.db2.gz USHZFTPRBJJVOV-UHFFFAOYSA-N 1 0 375.477 1.793 20 0 GDADRO Cc1cccc(S(=O)(=O)NCCCC[NH+]2CCC(C)CC2)c1-c1nn[nH]n1 ZINC000826303124 607588574 /nfs/dbraw/zinc/58/85/74/607588574.db2.gz AVIMZVDPXLCZEL-UHFFFAOYSA-N 1 0 392.529 1.966 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000824948389 607588622 /nfs/dbraw/zinc/58/86/22/607588622.db2.gz USNZKLJCJBHBFE-NEPJUHHUSA-N 1 0 382.465 1.405 20 0 GDADRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccccc2-c2nn[nH]n2)CC1 ZINC000824952741 607588999 /nfs/dbraw/zinc/58/89/99/607588999.db2.gz ANKXRDMIQMNPFQ-UHFFFAOYSA-N 1 0 378.502 1.657 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000826488665 607589561 /nfs/dbraw/zinc/58/95/61/607589561.db2.gz VYBYJCHEIVGDGE-QWHCGFSZSA-N 1 0 382.877 1.425 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c1-c1nn[nH]n1 ZINC000826301459 607592624 /nfs/dbraw/zinc/59/26/24/607592624.db2.gz FUDQMHLZARPRPO-UHFFFAOYSA-N 1 0 390.513 1.814 20 0 GDADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000824929434 607611675 /nfs/dbraw/zinc/61/16/75/607611675.db2.gz XMIOWIKDXPAKLC-VXGBXAGGSA-N 1 0 382.465 1.547 20 0 GDADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccccc2-c2nn[nH]n2)CC1 ZINC000826147440 607611909 /nfs/dbraw/zinc/61/19/09/607611909.db2.gz XRFKOGBXRDBJJE-UHFFFAOYSA-N 1 0 394.501 1.034 20 0 GDADRO O=C([O-])N1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000740439028 603278333 /nfs/dbraw/zinc/27/83/33/603278333.db2.gz KLZNJVACCLOKLF-GOSISDBHSA-N 1 0 388.512 1.992 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1-c1nn[nH]n1 ZINC000826302050 607649523 /nfs/dbraw/zinc/64/95/23/607649523.db2.gz YWYUKJSUUIYASF-HNNXBMFYSA-N 1 0 390.513 1.672 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000825390749 607656441 /nfs/dbraw/zinc/65/64/41/607656441.db2.gz LNXFDANMTKTWPO-LLVKDONJSA-N 1 0 384.893 1.482 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000529328871 649940588 /nfs/dbraw/zinc/94/05/88/649940588.db2.gz IFDQWYVPHSWHOR-UHFFFAOYSA-N 1 0 379.302 1.916 20 0 GDADRO CS(=O)(=O)N1CC[C@H](NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000529513512 649947629 /nfs/dbraw/zinc/94/76/29/649947629.db2.gz RXWCSGRZQSBGQB-JKSUJKDBSA-N 1 0 385.917 1.455 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000833624274 605037567 /nfs/dbraw/zinc/03/75/67/605037567.db2.gz JVDNWNMFFLDLFU-HZPDHXFCSA-N 1 0 378.473 1.607 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000826280352 607746818 /nfs/dbraw/zinc/74/68/18/607746818.db2.gz YITISUYFTBEEKF-OAHLLOKOSA-N 1 0 378.502 1.574 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@H](Cn3ccnn3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000826476982 607749040 /nfs/dbraw/zinc/74/90/40/607749040.db2.gz SROOWYHNAJPSGO-TZMCWYRMSA-N 1 0 399.484 1.037 20 0 GDADRO CN(CC(F)F)C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821595114 606088230 /nfs/dbraw/zinc/08/82/30/606088230.db2.gz NDCCJAJUGCSLJL-HNNXBMFYSA-N 1 0 396.442 1.268 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000819875689 606094891 /nfs/dbraw/zinc/09/48/91/606094891.db2.gz BRLRWIPTUFYPOS-GOEBONIOSA-N 1 0 383.500 1.857 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)n1 ZINC000822613629 606159829 /nfs/dbraw/zinc/15/98/29/606159829.db2.gz FFLZKXDEOWWTRV-UHFFFAOYSA-N 1 0 387.492 1.911 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000823332248 606162763 /nfs/dbraw/zinc/16/27/63/606162763.db2.gz MCEVJWILTULRET-UHFFFAOYSA-N 1 0 375.408 1.334 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000821253548 606169075 /nfs/dbraw/zinc/16/90/75/606169075.db2.gz HCFAVLTVIJHCMI-LBPRGKRZSA-N 1 0 391.863 1.401 20 0 GDADRO C[C@@H](CCN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 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606474125 /nfs/dbraw/zinc/47/41/25/606474125.db2.gz TUUQFCZADMAOOI-NXEZZACHSA-N 1 0 375.462 1.059 20 0 GDADRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000821932330 606480552 /nfs/dbraw/zinc/48/05/52/606480552.db2.gz KOMZXXARECTNHC-UHFFFAOYSA-N 1 0 397.464 1.349 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000820481138 606488367 /nfs/dbraw/zinc/48/83/67/606488367.db2.gz TUWZEXPRKLDDRU-VXGBXAGGSA-N 1 0 382.415 1.355 20 0 GDADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000823697474 606490314 /nfs/dbraw/zinc/49/03/14/606490314.db2.gz LREYPKSFUMFBTL-GJZGRUSLSA-N 1 0 394.426 1.499 20 0 GDADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000822732576 606502459 /nfs/dbraw/zinc/50/24/59/606502459.db2.gz KOZKXOSBMYQVMY-ZDUSSCGKSA-N 1 0 394.426 1.622 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000820129053 606568440 /nfs/dbraw/zinc/56/84/40/606568440.db2.gz WOGAYFYYPIMMCE-UHFFFAOYSA-N 1 0 378.458 1.074 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(-c3nn[nH]n3)cs2)cc1 ZINC000821587239 606570757 /nfs/dbraw/zinc/57/07/57/606570757.db2.gz MWMCJIGDWXXXJZ-UHFFFAOYSA-N 1 0 399.480 1.150 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000821689824 606632642 /nfs/dbraw/zinc/63/26/42/606632642.db2.gz OBHAJRLONNZRQW-PBHICJAKSA-N 1 0 399.499 1.650 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)C[N@@H+]1C1CC1 ZINC000820659183 606635639 /nfs/dbraw/zinc/63/56/39/606635639.db2.gz XBOHTYBPUHHYEM-ONGXEEELSA-N 1 0 389.847 1.200 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)C[N@@H+]1C1CC1 ZINC000820659175 606635859 /nfs/dbraw/zinc/63/58/59/606635859.db2.gz XBOHTYBPUHHYEM-GXSJLCMTSA-N 1 0 389.847 1.200 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000822146421 606636428 /nfs/dbraw/zinc/63/64/28/606636428.db2.gz YBWYFQCNEXBSEF-GUTXKFCHSA-N 1 0 392.529 1.820 20 0 GDADRO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820813727 606699781 /nfs/dbraw/zinc/69/97/81/606699781.db2.gz MNMPAULUEGJGJL-LBPRGKRZSA-N 1 0 395.471 1.014 20 0 GDADRO CC[C@H]1CC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)c(C)c(C)n2CCCOC)C1 ZINC000820989123 606714478 /nfs/dbraw/zinc/71/44/78/606714478.db2.gz MISJYMABLUJJRU-HNNXBMFYSA-N 1 0 389.504 1.992 20 0 GDADRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000821657730 606716385 /nfs/dbraw/zinc/71/63/85/606716385.db2.gz UXVXJOZSNXSWGW-GXFFZTMASA-N 1 0 392.847 1.590 20 0 GDADRO COc1cc(C[N@@H+]2CC[C@H](Nc3ncccc3-c3nn[nH]n3)C2)cc(OC)c1 ZINC000821716934 606728245 /nfs/dbraw/zinc/72/82/45/606728245.db2.gz HWNVTXFVMRILMT-AWEZNQCLSA-N 1 0 381.440 1.965 20 0 GDADRO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c(-c2nn[nH]n2)c1C ZINC000822559229 606774148 /nfs/dbraw/zinc/77/41/48/606774148.db2.gz YXRMZNKBVVWMHY-CHWSQXEVSA-N 1 0 376.486 1.984 20 0 GDADRO CC[C@H]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000820972968 606775172 /nfs/dbraw/zinc/77/51/72/606775172.db2.gz SHPZMADWFLEDTL-ZWKOTPCHSA-N 1 0 384.484 1.859 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000820722065 606804367 /nfs/dbraw/zinc/80/43/67/606804367.db2.gz DYPMSLFKMUZQFJ-UHFFFAOYSA-N 1 0 384.484 1.968 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820742307 606825934 /nfs/dbraw/zinc/82/59/34/606825934.db2.gz JCFAXCBBNOCHCC-QMTHXVAHSA-N 1 0 391.863 1.304 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820751357 606826283 /nfs/dbraw/zinc/82/62/83/606826283.db2.gz FZGGJWOXKJEHIL-JLSDUUJJSA-N 1 0 383.500 1.680 20 0 GDADRO C[C@@H]1CN(C(=O)NCCSCc2ccccc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000820735334 606827494 /nfs/dbraw/zinc/82/74/94/606827494.db2.gz RIKRYKNPDUKRQZ-CZUORRHYSA-N 1 0 389.529 1.691 20 0 GDADRO CCOC(=O)N[C@H](C[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000821333890 606852890 /nfs/dbraw/zinc/85/28/90/606852890.db2.gz CYFGDGVQLPXQHE-HOTGVXAUSA-N 1 0 376.461 1.651 20 0 GDADRO COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821841684 606853162 /nfs/dbraw/zinc/85/31/62/606853162.db2.gz LSLIPEHZRAEEIM-IAGOWNOFSA-N 1 0 385.424 1.241 20 0 GDADRO O[C@@H](C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681981 606856761 /nfs/dbraw/zinc/85/67/61/606856761.db2.gz LUSUPZDDOWGKPU-IBGZPJMESA-N 1 0 379.468 1.549 20 0 GDADRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822299690 606857815 /nfs/dbraw/zinc/85/78/15/606857815.db2.gz RGULYSGANFWHTI-MSOLQXFVSA-N 1 0 383.452 1.546 20 0 GDADRO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC000822240896 606859402 /nfs/dbraw/zinc/85/94/02/606859402.db2.gz CZPCKRRVTLQXPL-SJORKVTESA-N 1 0 380.456 1.257 20 0 GDADRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCCOc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000821361823 606903116 /nfs/dbraw/zinc/90/31/16/606903116.db2.gz WYCTZPBJHVFZDQ-ROUUACIJSA-N 1 0 387.484 1.888 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819940028 606904325 /nfs/dbraw/zinc/90/43/25/606904325.db2.gz NPQIBQBBNJDFHH-HZPDHXFCSA-N 1 0 388.472 1.889 20 0 GDADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CC[NH+](C2CCCCC2)CC1 ZINC000823699532 606991306 /nfs/dbraw/zinc/99/13/06/606991306.db2.gz VOVAAKVBGVLNEJ-GOSISDBHSA-N 1 0 386.500 1.557 20 0 GDADRO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821337913 607073033 /nfs/dbraw/zinc/07/30/33/607073033.db2.gz QFPQLHCAULUMBD-LLVKDONJSA-N 1 0 378.458 1.532 20 0 GDADRO O=C(CN1CC[NH+](C2CCCCC2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822996766 607075108 /nfs/dbraw/zinc/07/51/08/607075108.db2.gz IVCNBLQZHHBWKJ-UHFFFAOYSA-N 1 0 383.500 1.433 20 0 GDADRO COC(=O)[C@]1(C)CC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821652331 607122605 /nfs/dbraw/zinc/12/26/05/607122605.db2.gz QAYIVLNNOWOJOA-GOSISDBHSA-N 1 0 382.428 1.276 20 0 GDADRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc(Cl)c(-c3nn[nH]n3)n2)C1 ZINC000821621914 607125874 /nfs/dbraw/zinc/12/58/74/607125874.db2.gz LCTQYTCMONSZIE-QMMMGPOBSA-N 1 0 378.853 1.005 20 0 GDADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C[C@H]1N1CCOCC1 ZINC000820994941 607177330 /nfs/dbraw/zinc/17/73/30/607177330.db2.gz LQGVNSJPEOEAHO-CRAIPNDOSA-N 1 0 399.499 1.238 20 0 GDADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000822978155 607177939 /nfs/dbraw/zinc/17/79/39/607177939.db2.gz DIUWBDZIKFNRLD-RTBURBONSA-N 1 0 398.511 1.683 20 0 GDADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000821110025 607182500 /nfs/dbraw/zinc/18/25/00/607182500.db2.gz VWJCHXCDAKKVKJ-UHFFFAOYSA-N 1 0 391.863 1.449 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000823313498 607203070 /nfs/dbraw/zinc/20/30/70/607203070.db2.gz CQUYHSIODIBKJO-GJZGRUSLSA-N 1 0 391.863 1.583 20 0 GDADRO O=C1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476815 607818165 /nfs/dbraw/zinc/81/81/65/607818165.db2.gz PRSTUVDWXBTMLO-VQHPVUNQSA-N 1 0 380.452 1.519 20 0 GDADRO CCC[NH+]1CCC(N(C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825326368 607829047 /nfs/dbraw/zinc/82/90/47/607829047.db2.gz CCQQPASAMBLLJV-UHFFFAOYSA-N 1 0 392.529 1.447 20 0 GDADRO C[C@@H](CNC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)N1CC[NH+](C)CC1 ZINC000824422386 607834134 /nfs/dbraw/zinc/83/41/34/607834134.db2.gz ZDQYIALJOWMOMH-JTQLQIEISA-N 1 0 398.298 1.539 20 0 GDADRO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)[C@@H]2C1 ZINC000826146115 607858395 /nfs/dbraw/zinc/85/83/95/607858395.db2.gz QOYFISUNOQZCDI-KBRIMQKVSA-N 1 0 386.456 1.464 20 0 GDADRO CCn1cnnc1C1CC[NH+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)CC1 ZINC000825804527 607922630 /nfs/dbraw/zinc/92/26/30/607922630.db2.gz CNWSXEBLJTUPGE-UHFFFAOYSA-N 1 0 396.455 1.644 20 0 GDADRO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc21 ZINC000823975360 607938912 /nfs/dbraw/zinc/93/89/12/607938912.db2.gz XKPFNNVMLYMFRV-CJNGLKHVSA-N 1 0 393.455 1.192 20 0 GDADRO C[N@@H+]1CCCN(C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826033377 607964765 /nfs/dbraw/zinc/96/47/65/607964765.db2.gz BOGCOUNYPAXEBR-UHFFFAOYSA-N 1 0 382.424 1.816 20 0 GDADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826134386 608003172 /nfs/dbraw/zinc/00/31/72/608003172.db2.gz WXLOFIACHIJVBX-KXBFYZLASA-N 1 0 386.456 1.907 20 0 GDADRO CC[C@H](Oc1ccccc1C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825159382 608021003 /nfs/dbraw/zinc/02/10/03/608021003.db2.gz OGJHYSUZBCACQC-AWEZNQCLSA-N 1 0 398.471 1.846 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2c(F)c(F)cc(F)c2F)c1-c1nn[nH]n1 ZINC000826077745 608021559 /nfs/dbraw/zinc/02/15/59/608021559.db2.gz SUTXDRAGFOPYAW-UHFFFAOYSA-N 1 0 398.324 1.551 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)c1cc(F)ccc1F ZINC000825933285 608035669 /nfs/dbraw/zinc/03/56/69/608035669.db2.gz AOSHIWKXXPVBQF-ZDUSSCGKSA-N 1 0 378.387 1.048 20 0 GDADRO Fc1cncc(N2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826378297 608041602 /nfs/dbraw/zinc/04/16/02/608041602.db2.gz CWTQJNGDYOMZGY-UHFFFAOYSA-N 1 0 383.431 1.992 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825406321 608061898 /nfs/dbraw/zinc/06/18/98/608061898.db2.gz KHTFUOUKFFZZIS-PBHICJAKSA-N 1 0 387.488 1.680 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1sccc1-c1nn[nH]n1 ZINC000826431940 608075965 /nfs/dbraw/zinc/07/59/65/608075965.db2.gz OAJQEXXIHCLNLL-HOCLYGCPSA-N 1 0 398.492 1.541 20 0 GDADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826227102 608088819 /nfs/dbraw/zinc/08/88/19/608088819.db2.gz LTAUQQYHMIAZPI-BYCMXARLSA-N 1 0 375.502 1.171 20 0 GDADRO C[NH+](C)C1CN(C(=O)c2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825854883 608109074 /nfs/dbraw/zinc/10/90/74/608109074.db2.gz 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GDADRO C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[nH]n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824991513 608150854 /nfs/dbraw/zinc/15/08/54/608150854.db2.gz BUUVQTLYVGVLOA-PBHICJAKSA-N 1 0 393.499 1.272 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000824706192 608163109 /nfs/dbraw/zinc/16/31/09/608163109.db2.gz HKMPCNGUUBIQDW-ZPIQOJFGSA-N 1 0 384.484 1.431 20 0 GDADRO O=C(Nc1nc(-c2cccc(-c3nn[nH]n3)c2)cs1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000826459662 608201882 /nfs/dbraw/zinc/20/18/82/608201882.db2.gz SXHSNOYIAVEBAI-HNNXBMFYSA-N 1 0 396.480 1.319 20 0 GDADRO COc1cccc([C@H](CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)[NH+](C)C)c1 ZINC000826214445 608215614 /nfs/dbraw/zinc/21/56/14/608215614.db2.gz MDWXNXVKNKKFMT-INIZCTEOSA-N 1 0 396.455 1.101 20 0 GDADRO CC(C)C[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824255389 608253517 /nfs/dbraw/zinc/25/35/17/608253517.db2.gz HWZRAVJTIAOGLT-LJQANCHMSA-N 1 0 398.511 1.962 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C[C@@H]1C ZINC000825445242 608256048 /nfs/dbraw/zinc/25/60/48/608256048.db2.gz YJDKZYSUUXVQPV-RYUDHWBXSA-N 1 0 377.880 1.873 20 0 GDADRO C[C@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C ZINC000824956133 608269012 /nfs/dbraw/zinc/26/90/12/608269012.db2.gz QITGBWPROWBPOY-UONOGXRCSA-N 1 0 383.456 1.566 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1 ZINC000826273989 608274136 /nfs/dbraw/zinc/27/41/36/608274136.db2.gz CINMYRGXPJHCTK-UHFFFAOYSA-N 1 0 398.515 1.389 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(CN(C)c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC1 ZINC000824707317 608284039 /nfs/dbraw/zinc/28/40/39/608284039.db2.gz PVSPOKCKNQLAQP-CQSZACIVSA-N 1 0 385.516 1.670 20 0 GDADRO Cc1nn(-c2ccccc2)c(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826332155 608312509 /nfs/dbraw/zinc/31/25/09/608312509.db2.gz LKMXXTZKIWHBRQ-CABCVRRESA-N 1 0 396.499 1.248 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826504351 608326531 /nfs/dbraw/zinc/32/65/31/608326531.db2.gz UKMHGSFIBAQHSQ-RYRKJORJSA-N 1 0 387.484 1.745 20 0 GDADRO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000825203989 608337476 /nfs/dbraw/zinc/33/74/76/608337476.db2.gz OTUNZCFEMXSGRD-JKIFEVAISA-N 1 0 387.488 1.414 20 0 GDADRO C[C@H](NS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C[NH+](C)C ZINC000824632799 608337700 /nfs/dbraw/zinc/33/77/00/608337700.db2.gz FHXBLSBLRKWQAR-NSHDSACASA-N 1 0 384.481 1.402 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824261835 608340296 /nfs/dbraw/zinc/34/02/96/608340296.db2.gz ROVWVFMGVHMANL-OAHLLOKOSA-N 1 0 396.492 1.546 20 0 GDADRO C[NH+](C)CCCC1CCN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825860004 608342302 /nfs/dbraw/zinc/34/23/02/608342302.db2.gz JZEJRMPQHWBPLI-UHFFFAOYSA-N 1 0 392.529 1.750 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000826168429 608375322 /nfs/dbraw/zinc/37/53/22/608375322.db2.gz MMKDXSONVCHXQG-MAUKXSAKSA-N 1 0 385.516 1.333 20 0 GDADRO C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000824843790 608378916 /nfs/dbraw/zinc/37/89/16/608378916.db2.gz KIRGAMOLVZLKKI-QGZVFWFLSA-N 1 0 376.486 1.592 20 0 GDADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000826160273 608388989 /nfs/dbraw/zinc/38/89/89/608388989.db2.gz LXGKZHWIFPUXQI-OCCSQVGLSA-N 1 0 376.436 1.369 20 0 GDADRO COc1ccc([C@@H](CCO)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826188707 608431742 /nfs/dbraw/zinc/43/17/42/608431742.db2.gz DMUUIMKWDQQVSF-GOSISDBHSA-N 1 0 396.451 1.917 20 0 GDADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c(C)nn1 ZINC000826257579 608448218 /nfs/dbraw/zinc/44/82/18/608448218.db2.gz HZLMODBHKVQIPC-UHFFFAOYSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000824626161 608450565 /nfs/dbraw/zinc/45/05/65/608450565.db2.gz MVEKQVPDFZOTGG-ZDUSSCGKSA-N 1 0 393.451 1.770 20 0 GDADRO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825499291 608467996 /nfs/dbraw/zinc/46/79/96/608467996.db2.gz JXUFVWGJLRMADZ-BBRMVZONSA-N 1 0 386.456 1.462 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1)c1cccc(-c2nn[nH]n2)c1 ZINC000824565144 608481818 /nfs/dbraw/zinc/48/18/18/608481818.db2.gz ZYELXLDQRYBOKZ-DYVFJYSZSA-N 1 0 378.436 1.637 20 0 GDADRO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825499663 608486306 /nfs/dbraw/zinc/48/63/06/608486306.db2.gz QJXWDNATCZTEFH-ZDUSSCGKSA-N 1 0 386.456 1.319 20 0 GDADRO CS[C@@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C[C@H]1[NH+](C)C ZINC000826227021 608491351 /nfs/dbraw/zinc/49/13/51/608491351.db2.gz KFSFJLLUPTZFFW-CHWSQXEVSA-N 1 0 392.533 1.933 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000824563686 608493272 /nfs/dbraw/zinc/49/32/72/608493272.db2.gz PIFBBODSYWUTGI-LBPRGKRZSA-N 1 0 391.435 1.675 20 0 GDADRO O[C@H](C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826503269 608528964 /nfs/dbraw/zinc/52/89/64/608528964.db2.gz UMSKYAKEGCLXBY-NLWGTHIKSA-N 1 0 395.463 1.974 20 0 GDADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NCc1ccc2c(c1)OCO2 ZINC000826412357 608529730 /nfs/dbraw/zinc/52/97/30/608529730.db2.gz LDXJKLQAYGPOAO-UHFFFAOYSA-N 1 0 392.419 1.491 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000824569461 608559884 /nfs/dbraw/zinc/55/98/84/608559884.db2.gz IDTMGUWYTJARQS-SCLBCKFNSA-N 1 0 376.424 1.832 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000824985570 608588383 /nfs/dbraw/zinc/58/83/83/608588383.db2.gz XLEAVVZZKGADJX-UONOGXRCSA-N 1 0 395.471 1.015 20 0 GDADRO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000824193473 608658448 /nfs/dbraw/zinc/65/84/48/608658448.db2.gz YSPDMFJWCTXFGY-AWEZNQCLSA-N 1 0 396.499 1.887 20 0 GDADRO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(-c2nn[nH]n2)o1 ZINC000825937383 608681244 /nfs/dbraw/zinc/68/12/44/608681244.db2.gz BPFRGILELWYQLM-UHFFFAOYSA-N 1 0 391.476 1.444 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000825001256 608834387 /nfs/dbraw/zinc/83/43/87/608834387.db2.gz XZBWMUHHBXTWEO-GJZGRUSLSA-N 1 0 392.467 1.734 20 0 GDADRO CC[NH+]1CCC(CNC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)CC1 ZINC000825451872 609150115 /nfs/dbraw/zinc/15/01/15/609150115.db2.gz LIPKHCDIWLUNCM-UHFFFAOYSA-N 1 0 394.483 1.823 20 0 GDADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CN1C1CC1 ZINC000824892288 609168965 /nfs/dbraw/zinc/16/89/65/609168965.db2.gz GHXBKAGQSYSBKC-QIIPPGSGSA-N 1 0 381.484 1.577 20 0 GDADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826434025 609185535 /nfs/dbraw/zinc/18/55/35/609185535.db2.gz ZQQSNRLBCFVWQF-RDJZCZTQSA-N 1 0 382.424 1.446 20 0 GDADRO CCc1ccc([C@@H](CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[NH+](C)C)cc1 ZINC000825704215 609187858 /nfs/dbraw/zinc/18/78/58/609187858.db2.gz DNTAEHOKHAGKRR-RTBURBONSA-N 1 0 394.479 1.882 20 0 GDADRO CC1CCC2(CC1)OC[C@@H](C[NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)O2 ZINC000824918642 609187881 /nfs/dbraw/zinc/18/78/81/609187881.db2.gz QLJDYARCMTZKPY-ZHTDJMBKSA-N 1 0 383.456 1.926 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c2ccccc2O1 ZINC000825860613 609247641 /nfs/dbraw/zinc/24/76/41/609247641.db2.gz UDZVHMTWWXUJIX-CRAIPNDOSA-N 1 0 394.435 1.256 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)cn2)CC1 ZINC000826044930 609286673 /nfs/dbraw/zinc/28/66/73/609286673.db2.gz MXQGGMWTZDFTOF-UHFFFAOYSA-N 1 0 398.858 1.919 20 0 GDADRO O=C(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000826473034 609289184 /nfs/dbraw/zinc/28/91/84/609289184.db2.gz HTIJOJFMYIWMTM-UHFFFAOYSA-N 1 0 390.875 1.705 20 0 GDADRO C[N@H+](CCO)C1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000825941128 609316309 /nfs/dbraw/zinc/31/63/09/609316309.db2.gz AGILKENDIISWAN-UHFFFAOYSA-N 1 0 389.410 1.586 20 0 GDADRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)CN1CCOCC1 ZINC000824427373 609339484 /nfs/dbraw/zinc/33/94/84/609339484.db2.gz MGAIEIKMTJOKJY-OAHLLOKOSA-N 1 0 396.499 1.325 20 0 GDADRO Cc1ccc([C@H](O)C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826283928 609340205 /nfs/dbraw/zinc/34/02/05/609340205.db2.gz FPZHONQPHUDBSZ-MRXNPFEDSA-N 1 0 379.424 1.992 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC[N@@H+]1C ZINC000824893948 609357748 /nfs/dbraw/zinc/35/77/48/609357748.db2.gz VZDJIYMHJGGGGB-NEPJUHHUSA-N 1 0 399.434 1.796 20 0 GDADRO C[NH+](C)C1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC1 ZINC000825855624 609359358 /nfs/dbraw/zinc/35/93/58/609359358.db2.gz IOKCBMQXSWKRQZ-UHFFFAOYSA-N 1 0 399.434 1.749 20 0 GDADRO CC(C)[NH+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC1 ZINC000824301117 609360059 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CC(C)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1F)C(=O)NCC[NH+](C)C ZINC000551516108 650608614 /nfs/dbraw/zinc/60/86/14/650608614.db2.gz XEAYXEXRYJXNAH-AWEZNQCLSA-N 1 0 393.912 1.850 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000551519447 650609019 /nfs/dbraw/zinc/60/90/19/650609019.db2.gz WWLAJNSAWIULRG-UHFFFAOYSA-N 1 0 396.738 1.628 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCc4ccc(Br)cc43)C2)C1 ZINC000551691429 650610906 /nfs/dbraw/zinc/61/09/06/650610906.db2.gz UXIRWDFMCUMEIY-GOSISDBHSA-N 1 0 392.297 1.892 20 0 GDADRO CNC(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000552320031 650623343 /nfs/dbraw/zinc/62/33/43/650623343.db2.gz XLSDVUCMGXGHNV-LLVKDONJSA-N 1 0 392.319 1.150 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000552340367 650623830 /nfs/dbraw/zinc/62/38/30/650623830.db2.gz SRQJVRNAGXDAHE-GFCCVEGCSA-N 1 0 382.935 1.340 20 0 GDADRO NC(=O)c1c[nH+]ccc1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000553263050 650640880 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383.539 1.896 20 0 GDADRO C[C@H](c1ncc(Br)cn1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000367870327 645608347 /nfs/dbraw/zinc/60/83/47/645608347.db2.gz ZDFYHGNXLHOUGR-CYBMUJFWSA-N 1 0 385.306 1.459 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c(Cl)s1 ZINC000368637328 645622413 /nfs/dbraw/zinc/62/24/13/645622413.db2.gz XSDDLVYZAAONFA-SECBINFHSA-N 1 0 384.932 1.225 20 0 GDADRO CC[N@H+]1C[C@@H](C)N(C(=O)CCNS(=O)(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000570224959 651030763 /nfs/dbraw/zinc/03/07/63/651030763.db2.gz JHFCPBBWIDWMGG-OKILXGFUSA-N 1 0 387.933 1.950 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@]34C[C@H]3CC[NH2+]4)C2=O)ccc1Br ZINC000570389021 651038569 /nfs/dbraw/zinc/03/85/69/651038569.db2.gz JOFHRHVFKXAXFS-WHCBVINPSA-N 1 0 378.270 1.731 20 0 GDADRO COCCN(C)S(=O)(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000370193301 645670807 /nfs/dbraw/zinc/67/08/07/645670807.db2.gz VTQVUWNZTAJNKJ-IYBDPMFKSA-N 1 0 377.551 1.021 20 0 GDADRO CSc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl 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389.283 1.469 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)C[C@H](C)[NH2+]1 ZINC000419459439 645918251 /nfs/dbraw/zinc/91/82/51/645918251.db2.gz FZVHPHUCWPBLIQ-STQMWFEESA-N 1 0 394.313 1.806 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000419494879 645920887 /nfs/dbraw/zinc/92/08/87/645920887.db2.gz OWFMQYLLRFSWPO-NWDGAFQWSA-N 1 0 391.299 1.864 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCCc2cc(Cl)ccc2Br)C[C@H]1[NH3+] ZINC000419495704 645920902 /nfs/dbraw/zinc/92/09/02/645920902.db2.gz KUORERYFXMAZHC-NOZJJQNGSA-N 1 0 388.693 1.567 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1cccc(Br)c1 ZINC000419521556 645922348 /nfs/dbraw/zinc/92/23/48/645922348.db2.gz KETXAJIDNIITGC-AWEZNQCLSA-N 1 0 382.302 1.696 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)Oc1ccc(Br)cc1 ZINC000419608729 645924992 /nfs/dbraw/zinc/92/49/92/645924992.db2.gz IKQTWHXTRYIQMW-LALPHHSUSA-N 1 0 398.301 1.447 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 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FROJAMWAPAFMHP-LSDHHAIUSA-N 1 0 383.901 1.061 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000420191719 645938580 /nfs/dbraw/zinc/93/85/80/645938580.db2.gz HLRBEHMDNVWRMR-LSDHHAIUSA-N 1 0 396.285 1.217 20 0 GDADRO COc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c1OC ZINC000420350973 645941544 /nfs/dbraw/zinc/94/15/44/645941544.db2.gz VKQFCEHPIXQJEH-AWEZNQCLSA-N 1 0 384.318 1.946 20 0 GDADRO COCCCS(=O)(=O)NCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420930385 645975364 /nfs/dbraw/zinc/97/53/64/645975364.db2.gz RUAUJEMFUQVCAU-CABCVRRESA-N 1 0 378.535 1.385 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCCc1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000422307210 646059167 /nfs/dbraw/zinc/05/91/67/646059167.db2.gz NCNGASBOJIFCTA-GFCCVEGCSA-N 1 0 382.302 1.707 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000422371227 646061038 /nfs/dbraw/zinc/06/10/38/646061038.db2.gz XZOFLBBKDHPUMA-JTQLQIEISA-N 1 0 378.420 1.373 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422422073 646066645 /nfs/dbraw/zinc/06/66/45/646066645.db2.gz FYPZCVALPHDSNX-LRDDRELGSA-N 1 0 394.313 1.707 20 0 GDADRO COc1ccc([C@H](C)NC(=O)c2cn(CCC[NH3+])nn2)cc1Br ZINC000422937179 646101334 /nfs/dbraw/zinc/10/13/34/646101334.db2.gz NSSGWWPHIPRIEV-JTQLQIEISA-N 1 0 382.262 1.889 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000422955519 646103424 /nfs/dbraw/zinc/10/34/24/646103424.db2.gz MNOOQTSSKSHOGE-UHFFFAOYSA-N 1 0 396.285 1.428 20 0 GDADRO O=C(NCCc1ccccc1Br)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422982517 646104924 /nfs/dbraw/zinc/10/49/24/646104924.db2.gz QYVTTWJAWRVHQQ-UHFFFAOYSA-N 1 0 380.286 1.462 20 0 GDADRO O=C(NCc1cc(F)ccc1Br)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422981338 646105221 /nfs/dbraw/zinc/10/52/21/646105221.db2.gz NXXYNBBAOLBOAW-UHFFFAOYSA-N 1 0 384.249 1.559 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000423025456 646109511 /nfs/dbraw/zinc/10/95/11/646109511.db2.gz OHRNIGVPMUKCGA-UHFFFAOYSA-N 1 0 384.933 1.256 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423073975 646111651 /nfs/dbraw/zinc/11/16/51/646111651.db2.gz KGJXILVCXMPWPB-HIFRSBDPSA-N 1 0 380.286 1.618 20 0 GDADRO OC[C@H](C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)Cc1ccc(Br)cc1 ZINC000423076911 646112036 /nfs/dbraw/zinc/11/20/36/646112036.db2.gz SBWUZGBILILQAT-BMGDILEWSA-N 1 0 383.330 1.957 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000423172187 646117223 /nfs/dbraw/zinc/11/72/23/646117223.db2.gz RSVDSFBWXXYQTR-IUODEOHRSA-N 1 0 380.286 1.920 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)CC1 ZINC000423231529 646119195 /nfs/dbraw/zinc/11/91/95/646119195.db2.gz LLUDBDRWMKEUSZ-GFCCVEGCSA-N 1 0 394.313 1.920 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CCO1 ZINC000423355176 646123023 /nfs/dbraw/zinc/12/30/23/646123023.db2.gz DXWWTMHDBNKZTF-CABCVRRESA-N 1 0 383.901 1.143 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)C[C@@H]1[NH3+] ZINC000423363538 646123923 /nfs/dbraw/zinc/12/39/23/646123923.db2.gz ANUIJWJGJZLWJP-WFASDCNBSA-N 1 0 394.313 1.745 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423371140 646124001 /nfs/dbraw/zinc/12/40/01/646124001.db2.gz HKWMRUWJRAGRMK-CYBMUJFWSA-N 1 0 394.313 1.746 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423411257 646125209 /nfs/dbraw/zinc/12/52/09/646125209.db2.gz UECGLIQZYKTKRX-WFASDCNBSA-N 1 0 398.301 1.482 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)C1 ZINC000423521874 646127442 /nfs/dbraw/zinc/12/74/42/646127442.db2.gz LOJJDPQVDOCFSQ-LBPRGKRZSA-N 1 0 385.295 1.449 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)s2)C[C@@H]1[NH3+] ZINC000423576058 646132044 /nfs/dbraw/zinc/13/20/44/646132044.db2.gz XHEVMKVIOFQTDI-VWYCJHECSA-N 1 0 386.315 1.980 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000423580492 646133354 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20 0 GDADRO C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C[C@H]1[NH3+] ZINC000423943741 646144469 /nfs/dbraw/zinc/14/44/69/646144469.db2.gz GPQLEUUHDOKKFX-ZYHUDNBSSA-N 1 0 385.536 1.707 20 0 GDADRO [NH3+]C[C@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CCCC1 ZINC000423948547 646145623 /nfs/dbraw/zinc/14/56/23/646145623.db2.gz WXYOLYUWOFNTDM-HNNXBMFYSA-N 1 0 393.285 1.793 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000423949409 646145735 /nfs/dbraw/zinc/14/57/35/646145735.db2.gz MDOSWNVKKHMOMT-CQSZACIVSA-N 1 0 387.571 1.955 20 0 GDADRO Cc1c(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc(Br)cc1S(N)(=O)=O ZINC000423966228 646147681 /nfs/dbraw/zinc/14/76/81/646147681.db2.gz YTEPWWSDHIYHLM-LBPRGKRZSA-N 1 0 390.303 1.214 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@@]1(C)C[NH3+] ZINC000423973438 646148257 /nfs/dbraw/zinc/14/82/57/646148257.db2.gz BIUGVPLMZWNIEM-JDNHERCYSA-N 1 0 382.258 1.837 20 0 GDADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1nc2ncc(Br)cn2n1 ZINC000423974147 646148303 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CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)C2 ZINC000920273191 660268203 /nfs/dbraw/zinc/26/82/03/660268203.db2.gz DHPRONKAPOVVFD-UXXRCYHCSA-N 1 0 399.384 1.969 20 0 GDADRO O=C(CCN1C(=O)COc2cc(Br)ccc21)NCC[C@H]1CCC[NH2+]1 ZINC000444259895 647247250 /nfs/dbraw/zinc/24/72/50/647247250.db2.gz PJUMCBXAHJYCRH-CYBMUJFWSA-N 1 0 396.285 1.823 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c(Cl)n1 ZINC000920276281 660268767 /nfs/dbraw/zinc/26/87/67/660268767.db2.gz VYNYOESLLWGGAS-LGWLGOQQSA-N 1 0 387.933 1.801 20 0 GDADRO CCc1ncc(S(=O)(=O)N[C@@H]2C[C@@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000920303338 660269568 /nfs/dbraw/zinc/26/95/68/660269568.db2.gz OGSAZBWMKQBXTH-OMNBBPDLSA-N 1 0 387.571 1.854 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cnc(OC)s3)C2)[C@H]1C(C)C ZINC000920303837 660269859 /nfs/dbraw/zinc/26/98/59/660269859.db2.gz SCZBBSMPUNVIJC-NCZKRNLISA-N 1 0 389.543 1.300 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000445553565 647269999 /nfs/dbraw/zinc/26/99/99/647269999.db2.gz MPVXSWIQEXXFCH-RYUDHWBXSA-N 1 0 391.515 1.005 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000445557178 647270306 /nfs/dbraw/zinc/27/03/06/647270306.db2.gz KCYMGPKEBZEXPP-DZGCQCFKSA-N 1 0 389.543 1.777 20 0 GDADRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000920435518 660271566 /nfs/dbraw/zinc/27/15/66/660271566.db2.gz OOOHVODNGWVTCD-UHFFFAOYSA-N 1 0 381.885 1.979 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000920462833 660271866 /nfs/dbraw/zinc/27/18/66/660271866.db2.gz WTUJQOFMFPQZET-KGLIPLIRSA-N 1 0 382.496 1.949 20 0 GDADRO CC(C)N(CCCNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1)S(C)(=O)=O ZINC000452059947 647307922 /nfs/dbraw/zinc/30/79/22/647307922.db2.gz CUXDDZSITNNTSF-IKGGRYGDSA-N 1 0 375.579 1.967 20 0 GDADRO O=C(C[NH2+][C@@H](c1cccs1)C1(CO)CCC1)NC(=O)NCC(F)(F)F ZINC000452063769 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CC[NH+](CC)CCOCCNC(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 ZINC000455816874 647388962 /nfs/dbraw/zinc/38/89/62/647388962.db2.gz GSJYFUPCUBQJFM-UHFFFAOYSA-N 1 0 375.466 1.709 20 0 GDADRO Cn1cc(Br)c(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000456115933 647396078 /nfs/dbraw/zinc/39/60/78/647396078.db2.gz BRNVIBGGXUACKS-UHFFFAOYSA-N 1 0 393.289 1.259 20 0 GDADRO C[C@@H](C(=O)NCc1nn(C)cc1I)[NH+]1[C@H](C)CC[C@H]1C ZINC000456506982 647403032 /nfs/dbraw/zinc/40/30/32/647403032.db2.gz NMQXSQWEXZDHKV-MXWKQRLJSA-N 1 0 390.269 1.902 20 0 GDADRO C[C@H]1CN(CC(F)(F)F)CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000458501891 647442261 /nfs/dbraw/zinc/44/22/61/647442261.db2.gz JPUSHBBDGVVODR-ZFWWWQNUSA-N 1 0 382.496 1.949 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCn1cc(Br)cn1 ZINC000461353908 647490641 /nfs/dbraw/zinc/49/06/41/647490641.db2.gz XVXOAQOSWWHSQX-UHFFFAOYSA-N 1 0 389.342 1.171 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000461541437 647496219 /nfs/dbraw/zinc/49/62/19/647496219.db2.gz DLZMSEISQUGMOU-NSHDSACASA-N 1 0 381.951 1.916 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000461611556 647497372 /nfs/dbraw/zinc/49/73/72/647497372.db2.gz DLZMSEISQUGMOU-LLVKDONJSA-N 1 0 381.951 1.916 20 0 GDADRO CN(CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H](C[NH3+])C1CC1 ZINC000461906058 647503482 /nfs/dbraw/zinc/50/34/82/647503482.db2.gz WPSAFQDCNWKYTJ-HNNXBMFYSA-N 1 0 386.327 1.706 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000462123692 647511336 /nfs/dbraw/zinc/51/13/36/647511336.db2.gz XLNBWOFXUREMOF-QGZVFWFLSA-N 1 0 395.301 1.839 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)cs1 ZINC000462290262 647519758 /nfs/dbraw/zinc/51/97/58/647519758.db2.gz RYRFOJHBTIXKGT-UHFFFAOYSA-N 1 0 388.511 1.458 20 0 GDADRO O[C@@H]1COC[C@@H]1[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000463106375 647550342 /nfs/dbraw/zinc/55/03/42/647550342.db2.gz NPAQBBSFIFEDAE-UONOGXRCSA-N 1 0 389.233 1.894 20 0 GDADRO C[C@@H](O)C[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl 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Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN(C)[C@H]1CC[NH2+]C1 ZINC000580952384 651950041 /nfs/dbraw/zinc/95/00/41/651950041.db2.gz ZUAXZWGVMXCUES-AWEZNQCLSA-N 1 0 397.317 1.448 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N(C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000581022826 651955899 /nfs/dbraw/zinc/95/58/99/651955899.db2.gz KBRBTZCHBYTOAT-UHFFFAOYSA-N 1 0 391.563 1.279 20 0 GDADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000581127218 651960310 /nfs/dbraw/zinc/96/03/10/651960310.db2.gz NZSRWEIVOVFJOC-FZMZJTMJSA-N 1 0 378.416 1.901 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000581282658 651969371 /nfs/dbraw/zinc/96/93/71/651969371.db2.gz BWRRZQZDJCVJKU-OAHLLOKOSA-N 1 0 376.567 1.562 20 0 GDADRO CN(C(=O)NCCn1cc(Br)ccc1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000582107388 651985111 /nfs/dbraw/zinc/98/51/11/651985111.db2.gz PHXMYKVPVWIOIP-CQSZACIVSA-N 1 0 383.290 1.489 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCc4cc(Br)ccc43)CCN2C1=O ZINC000583095265 652025979 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CCCS(=O)(=O)N1CCC([NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000589640718 652116865 /nfs/dbraw/zinc/11/68/65/652116865.db2.gz NPMOYGFNQMUMPE-UHFFFAOYSA-N 1 0 389.543 1.352 20 0 GDADRO CSC1(CNC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000589651508 652116972 /nfs/dbraw/zinc/11/69/72/652116972.db2.gz ZJFPEZJJTFKHBJ-CYBMUJFWSA-N 1 0 388.530 1.932 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1cc(C(=O)OC)c(F)cc1Br ZINC000591287367 652158860 /nfs/dbraw/zinc/15/88/60/652158860.db2.gz RQKROSCIBPKXND-UHFFFAOYSA-N 1 0 392.225 1.732 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NCC[NH2+]C2CC2)ccc1Br ZINC000591294763 652159202 /nfs/dbraw/zinc/15/92/02/652159202.db2.gz UQSHEXDTEZUCPE-UHFFFAOYSA-N 1 0 384.230 1.042 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(I)cn1 ZINC000591294891 652159211 /nfs/dbraw/zinc/15/92/11/652159211.db2.gz ZTNMZGPLMLSYJD-UHFFFAOYSA-N 1 0 390.225 1.129 20 0 GDADRO COC(=O)c1c(Br)ccc(NC(=O)C(=O)NCC[NH2+]C2CC2)c1C ZINC000591294662 652159292 /nfs/dbraw/zinc/15/92/92/652159292.db2.gz CXEAFMMFAPVYCV-UHFFFAOYSA-N 1 0 398.257 1.351 20 0 GDADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000592207999 652177002 /nfs/dbraw/zinc/17/70/02/652177002.db2.gz LZBMURFARRWSKE-KGYLQXTDSA-N 1 0 378.252 1.589 20 0 GDADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000592374671 652184065 /nfs/dbraw/zinc/18/40/65/652184065.db2.gz NPPVOQMSZHHJJB-IINYFYTJSA-N 1 0 376.862 1.253 20 0 GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592374310 652184069 /nfs/dbraw/zinc/18/40/69/652184069.db2.gz LBPOPSZMKQUQGD-CMPLNLGQSA-N 1 0 384.479 1.425 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc(F)c(F)cc1Br ZINC000592556805 652195650 /nfs/dbraw/zinc/19/56/50/652195650.db2.gz UKNNVAXIKOGNPB-LBPRGKRZSA-N 1 0 377.185 1.704 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)C[C@H]1C[NH3+] ZINC000593730193 652244139 /nfs/dbraw/zinc/24/41/39/652244139.db2.gz FKECOCKNZXYYTB-QMTHXVAHSA-N 1 0 376.862 1.111 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000593729738 652244179 /nfs/dbraw/zinc/24/41/79/652244179.db2.gz JYKWONAXKNLKFS-JTQLQIEISA-N 1 0 380.388 1.851 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1c[nH]c2cccc(Br)c21 ZINC000593906350 652261365 /nfs/dbraw/zinc/26/13/65/652261365.db2.gz BLLATBIGSPZOPZ-ZDUSSCGKSA-N 1 0 380.242 1.908 20 0 GDADRO COC(=O)c1cc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1Br ZINC000594079442 652269679 /nfs/dbraw/zinc/26/96/79/652269679.db2.gz WJKVNABVZYXVMX-NWDGAFQWSA-N 1 0 398.257 1.518 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)c1F ZINC000594585086 652320444 /nfs/dbraw/zinc/32/04/44/652320444.db2.gz RLVMKNAXVJPJAS-UHFFFAOYSA-N 1 0 378.853 1.980 20 0 GDADRO C[C@@H]1SCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH]cn2)[C@H]1C ZINC000594639076 652341298 /nfs/dbraw/zinc/34/12/98/652341298.db2.gz RDDDRDQLXWBJEN-RYUDHWBXSA-N 1 0 396.560 1.087 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1ccc(I)cc1)[NH+](C)C ZINC000594817533 652372349 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C[NH+](C)CC[C@@H](N)C(=O)NCc1cc(Cl)ccc1I ZINC000595938302 652428087 /nfs/dbraw/zinc/42/80/87/652428087.db2.gz NHVWHRGJIBIOOO-GFCCVEGCSA-N 1 0 395.672 1.840 20 0 GDADRO C[C@@H](CNC(=O)c1sc2c(c1I)CNC2)[NH+](C)C ZINC000595944443 652428283 /nfs/dbraw/zinc/42/82/83/652428283.db2.gz UPJUJPQNDLDHCO-ZETCQYMHSA-N 1 0 379.267 1.636 20 0 GDADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000595953142 652429867 /nfs/dbraw/zinc/42/98/67/652429867.db2.gz GCCMQYQRQBSUKB-BXKDBHETSA-N 1 0 394.640 1.925 20 0 GDADRO C[C@@]1(NC(=O)C(=O)Nc2ccc(I)cc2F)CC[NH2+]C1 ZINC000596130484 652437507 /nfs/dbraw/zinc/43/75/07/652437507.db2.gz YPKGYLAWHNEYIC-CYBMUJFWSA-N 1 0 391.184 1.237 20 0 GDADRO CCN(C(=O)NCc1nn(C)cc1I)[C@@H]1CC[N@H+](C)C1 ZINC000596620474 652442299 /nfs/dbraw/zinc/44/22/99/652442299.db2.gz ZNOIKYQEPXSGDV-SNVBAGLBSA-N 1 0 391.257 1.260 20 0 GDADRO C[NH2+]CCOCCNS(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 ZINC000599108443 652478919 /nfs/dbraw/zinc/47/89/19/652478919.db2.gz YFAAIORDQNQTCK-UHFFFAOYSA-N 1 0 384.376 1.006 20 0 GDADRO O=C(C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)NC(=O)NC1CC1 ZINC000599572613 652508744 /nfs/dbraw/zinc/50/87/44/652508744.db2.gz CSSMRUOURYRTLR-QGZVFWFLSA-N 1 0 396.285 1.247 20 0 GDADRO [NH3+]C1(CNC(=O)Nc2ccccc2I)CCOCC1 ZINC000599598604 652510339 /nfs/dbraw/zinc/51/03/39/652510339.db2.gz ZMZLIRGFBZAUJF-UHFFFAOYSA-N 1 0 375.210 1.921 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)Nc1cc(OC)ccc1I ZINC000599888904 652516657 /nfs/dbraw/zinc/51/66/57/652516657.db2.gz ZYZCIGLRCJDDLV-UHFFFAOYSA-N 1 0 391.209 1.046 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000599892085 652516972 /nfs/dbraw/zinc/51/69/72/652516972.db2.gz VTTLCSFNPUEYKR-UHFFFAOYSA-N 1 0 386.246 1.290 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2I)C[NH2+]1 ZINC000599897023 652517242 /nfs/dbraw/zinc/51/72/42/652517242.db2.gz UJRWNLIUOSPOQY-ZJUUUORDSA-N 1 0 387.221 1.486 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1I ZINC000599903675 652517520 /nfs/dbraw/zinc/51/75/20/652517520.db2.gz JKSKSJWRTSOCLV-JOYOIKCWSA-N 1 0 387.221 1.405 20 0 GDADRO COc1cc(C[NH2+][C@@H]2COC[C@@H]2O)cc(I)c1OC ZINC000601140090 652563433 /nfs/dbraw/zinc/56/34/33/652563433.db2.gz RREQMRKNXVIKTQ-MNOVXSKESA-N 1 0 379.194 1.158 20 0 GDADRO COC(=O)c1ccc(OC)cc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000601380979 652573502 /nfs/dbraw/zinc/57/35/02/652573502.db2.gz URWFJVZAJWIJKQ-KBPBESRZSA-N 1 0 388.511 1.148 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000601889224 652610154 /nfs/dbraw/zinc/61/01/54/652610154.db2.gz UXIISKKWZQGAPB-HZPDHXFCSA-N 1 0 391.603 1.571 20 0 GDADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000601969561 652612258 /nfs/dbraw/zinc/61/22/58/652612258.db2.gz WEGPGQYFNMIGPZ-NHCYSSNCSA-N 1 0 393.267 1.389 20 0 GDADRO COC(=O)[C@]1(NC(=O)[C@H]2CC[NH2+][C@H]2C)CCc2cc(Br)ccc2C1 ZINC000602545834 652640507 /nfs/dbraw/zinc/64/05/07/652640507.db2.gz XLFCHYYESIWNIK-GYOIFBIXSA-N 1 0 395.297 1.964 20 0 GDADRO COC(=O)CCCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602658181 652644622 /nfs/dbraw/zinc/64/46/22/652644622.db2.gz CXTYYSKHJUZYNM-UHFFFAOYSA-N 1 0 393.303 1.920 20 0 GDADRO Ic1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)s1 ZINC000602694339 652645383 /nfs/dbraw/zinc/64/53/83/652645383.db2.gz LHWOMEZVMXLFKE-QMMMGPOBSA-N 1 0 375.239 1.834 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1nn(C)cc1I ZINC000602785763 652646268 /nfs/dbraw/zinc/64/62/68/652646268.db2.gz BZMVGHSUBHHSHO-SNVBAGLBSA-N 1 0 376.242 1.629 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2nn(C)cc2I)C1 ZINC000602819079 652647616 /nfs/dbraw/zinc/64/76/16/652647616.db2.gz YSAAGCCNMABYQR-SNVBAGLBSA-N 1 0 376.242 1.485 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2nn(C)cc2I)C1 ZINC000602819077 652647721 /nfs/dbraw/zinc/64/77/21/652647721.db2.gz YSAAGCCNMABYQR-JTQLQIEISA-N 1 0 376.242 1.485 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2nn(C)cc2I)C1 ZINC000602908213 652654999 /nfs/dbraw/zinc/65/49/99/652654999.db2.gz ZVVUYAJBSUUKDK-JTQLQIEISA-N 1 0 376.242 1.439 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COc1cc(OC)c(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1Br ZINC000626519835 653055857 /nfs/dbraw/zinc/05/58/57/653055857.db2.gz CVJPEZQAQZTMKF-JTQLQIEISA-N 1 0 388.262 1.654 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000626882433 653062576 /nfs/dbraw/zinc/06/25/76/653062576.db2.gz LIDVBPSNHJSLEX-GFCCVEGCSA-N 1 0 393.241 1.040 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC1(C[NH3+])CCOCC1 ZINC000626884676 653063147 /nfs/dbraw/zinc/06/31/47/653063147.db2.gz JXMHMWPSFRCOFT-UHFFFAOYSA-N 1 0 388.237 1.459 20 0 GDADRO C[NH2+]CCOCCNC(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000626959377 653065542 /nfs/dbraw/zinc/06/55/42/653065542.db2.gz DSGUSSJYJHWMMM-UHFFFAOYSA-N 1 0 390.278 1.502 20 0 GDADRO CCN(CC[NH3+])C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000626974443 653065934 /nfs/dbraw/zinc/06/59/34/653065934.db2.gz FNVLOMYMBDHEJZ-UHFFFAOYSA-N 1 0 385.306 1.788 20 0 GDADRO O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)N[C@@H]1CC[NH2+]C1 ZINC000626988762 653066081 /nfs/dbraw/zinc/06/60/81/653066081.db2.gz MUHPSTBZYRUWHE-CYBMUJFWSA-N 1 0 386.543 1.126 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C[NH2+]1 ZINC000627003759 653066302 /nfs/dbraw/zinc/06/63/02/653066302.db2.gz FIPCTLORMHCVAP-VHSXEESVSA-N 1 0 380.923 1.120 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)C2 ZINC000627020186 653066929 /nfs/dbraw/zinc/06/69/29/653066929.db2.gz DTRPNNCBDLNOGR-CALCHBBNSA-N 1 0 385.917 1.885 20 0 GDADRO C[NH+](C)CCCNC(=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000627154520 653067820 /nfs/dbraw/zinc/06/78/20/653067820.db2.gz ZJVFLLPDUZAXTK-UHFFFAOYSA-N 1 0 380.286 1.895 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)NCc1cc(Br)cnc1OC ZINC000627157195 653067991 /nfs/dbraw/zinc/06/79/91/653067991.db2.gz PAXILRZLHUMYEP-UHFFFAOYSA-N 1 0 375.267 1.230 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627265386 653070129 /nfs/dbraw/zinc/07/01/29/653070129.db2.gz IKHHENMXCIXVMI-NWANDNLSSA-N 1 0 383.286 1.884 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C[NH2+]1 ZINC000627320573 653072048 /nfs/dbraw/zinc/07/20/48/653072048.db2.gz HKYRWTTWDKNFRA-SWLSCSKDSA-N 1 0 394.313 1.854 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Br)cc2Cl)C[NH2+]1 ZINC000627325390 653072327 /nfs/dbraw/zinc/07/23/27/653072327.db2.gz HYJHNYVRVOBHQD-JOYOIKCWSA-N 1 0 388.693 1.975 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000627366229 653073705 /nfs/dbraw/zinc/07/37/05/653073705.db2.gz LWRPIERBDRYEHP-LLVKDONJSA-N 1 0 376.284 1.565 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2(c3ccccc3Br)CC2)C[NH2+]1 ZINC000627361164 653073757 /nfs/dbraw/zinc/07/37/57/653073757.db2.gz HMDGHVMEWAJJHW-QWHCGFSZSA-N 1 0 394.313 1.854 20 0 GDADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627981267 653082461 /nfs/dbraw/zinc/08/24/61/653082461.db2.gz QRVPOZZXHCSMHO-CYBMUJFWSA-N 1 0 385.917 1.962 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627981584 653082616 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O=C(NCC[N@H+]1CC[C@H](O)C1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000629912849 653192544 /nfs/dbraw/zinc/19/25/44/653192544.db2.gz AAPTYZZSTYEKID-ZDUSSCGKSA-N 1 0 397.248 1.570 20 0 GDADRO O[C@H](C[NH+]1CCC(n2cc(Br)cn2)CC1)CC1(O)CCOCC1 ZINC000630039802 653198330 /nfs/dbraw/zinc/19/83/30/653198330.db2.gz VWGRNRRBVODKRJ-HNNXBMFYSA-N 1 0 388.306 1.575 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000631279282 653233329 /nfs/dbraw/zinc/23/33/29/653233329.db2.gz CEOLCXBBZUXAQS-UHFFFAOYSA-N 1 0 380.290 1.464 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000631472456 653236782 /nfs/dbraw/zinc/23/67/82/653236782.db2.gz QRDBUPBMHIBHDX-HNNXBMFYSA-N 1 0 382.262 1.021 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000631606347 653240596 /nfs/dbraw/zinc/24/05/96/653240596.db2.gz DBUFSHXPJYXBII-UHFFFAOYSA-N 1 0 384.274 1.795 20 0 GDADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631712878 653245673 /nfs/dbraw/zinc/24/56/73/653245673.db2.gz DGOGKNFMZJCHHD-HNNXBMFYSA-N 1 0 388.555 1.899 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000631724583 653246817 /nfs/dbraw/zinc/24/68/17/653246817.db2.gz SYHLKTILPXLGRA-QGZVFWFLSA-N 1 0 389.949 1.584 20 0 GDADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000631813701 653256544 /nfs/dbraw/zinc/25/65/44/653256544.db2.gz RUVTVCWASGTDFV-ZDUSSCGKSA-N 1 0 381.489 1.141 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1C[C@H]([NH3+])C[C@@H]1C ZINC000631858295 653261422 /nfs/dbraw/zinc/26/14/22/653261422.db2.gz WDCKHTFYAFSSCD-GXTWGEPZSA-N 1 0 397.317 1.576 20 0 GDADRO O=C(CN1CCC([NH2+]CCO)CC1)Nc1c(F)cc(F)cc1Br ZINC000631864098 653261675 /nfs/dbraw/zinc/26/16/75/653261675.db2.gz KIJATTVAUATUBJ-UHFFFAOYSA-N 1 0 392.244 1.712 20 0 GDADRO C[C@H](c1ccccc1Br)N(C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631915253 653268980 /nfs/dbraw/zinc/26/89/80/653268980.db2.gz HOLWDWPFVRPCGO-NEPJUHHUSA-N 1 0 377.304 1.760 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1(c2ccc(Br)cc2)CC1 ZINC000631914714 653268986 /nfs/dbraw/zinc/26/89/86/653268986.db2.gz WADYRBMDSWWUDR-ZDUSSCGKSA-N 1 0 375.288 1.346 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000631918342 653270193 /nfs/dbraw/zinc/27/01/93/653270193.db2.gz ZQCDPGZCUCLTMV-UHFFFAOYSA-N 1 0 377.392 1.576 20 0 GDADRO Cc1cc(Br)cc2c1CN(S(=O)(=O)C[C@@H]1C[NH2+]CCO1)CC2 ZINC000631928899 653273307 /nfs/dbraw/zinc/27/33/07/653273307.db2.gz QISSLLMASTUWMU-AWEZNQCLSA-N 1 0 389.315 1.434 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000631935611 653274219 /nfs/dbraw/zinc/27/42/19/653274219.db2.gz XLBKXSPLMWQTOD-GZMMTYOYSA-N 1 0 388.291 1.077 20 0 GDADRO O=S(=O)(c1csnc1-c1ccccc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000631937848 653275053 /nfs/dbraw/zinc/27/50/53/653275053.db2.gz MXUDBLUOHWPUKK-HNNXBMFYSA-N 1 0 378.523 1.478 20 0 GDADRO C[NH2+]CCCN(C)S(=O)(=O)c1c(C)nn2cc(Br)cnc12 ZINC000631945416 653276222 /nfs/dbraw/zinc/27/62/22/653276222.db2.gz XVFQJNOUTKHGQI-UHFFFAOYSA-N 1 0 376.280 1.030 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000631949606 653277235 /nfs/dbraw/zinc/27/72/35/653277235.db2.gz KSICXELREMMDFX-GFCCVEGCSA-N 1 0 380.436 1.839 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000631951455 653277913 /nfs/dbraw/zinc/27/79/13/653277913.db2.gz HYMZCJMIYNJMGH-VIFPVBQESA-N 1 0 380.333 2.000 20 0 GDADRO Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000631954100 653278609 /nfs/dbraw/zinc/27/86/09/653278609.db2.gz BEVKUNRFGODWSP-JGVFFNPUSA-N 1 0 394.341 1.587 20 0 GDADRO O=C1CCc2cc(Br)c(S(=O)(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2N1 ZINC000631969972 653281921 /nfs/dbraw/zinc/28/19/21/653281921.db2.gz PATHBABWAUTWON-UWVGGRQHSA-N 1 0 386.271 1.069 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCS[C@H](c3ccccc3)C2)CC1 ZINC000631988045 653285509 /nfs/dbraw/zinc/28/55/09/653285509.db2.gz WISFSNPYSKQAOB-SFHVURJKSA-N 1 0 383.583 1.744 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631992212 653286253 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383.539 1.951 20 0 GDADRO C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc2ncsc2c1 ZINC000632237385 653321057 /nfs/dbraw/zinc/32/10/57/653321057.db2.gz ZURYWXLOJDQGEV-CQSZACIVSA-N 1 0 382.555 1.914 20 0 GDADRO Cc1cc(S(=O)(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000632243870 653322835 /nfs/dbraw/zinc/32/28/35/653322835.db2.gz AIYOOOHOCOEBAY-KRWDZBQOSA-N 1 0 381.523 1.709 20 0 GDADRO C[NH+](C)[C@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@@H]1O ZINC000632350023 653342574 /nfs/dbraw/zinc/34/25/74/653342574.db2.gz SFTWYYIXFSQINC-QWRGUYRKSA-N 1 0 385.230 1.023 20 0 GDADRO O=C(CNS(=O)(=O)C[C@H]1CCC(F)(F)C1)NCC[NH+]1CCCCCC1 ZINC000632363369 653346114 /nfs/dbraw/zinc/34/61/14/653346114.db2.gz LVVZJVHJQJEBKR-AWEZNQCLSA-N 1 0 381.489 1.333 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000632382266 653349897 /nfs/dbraw/zinc/34/98/97/653349897.db2.gz KLVMGMPODNWNTB-UHFFFAOYSA-N 1 0 376.906 1.937 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC(C[NH+](C)C)C2)cc1 ZINC000632382383 653349985 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C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000633040619 653423494 /nfs/dbraw/zinc/42/34/94/653423494.db2.gz YGWSUPALFGSJMS-PWSUYJOCSA-N 1 0 392.257 1.521 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)C2 ZINC000633111913 653428008 /nfs/dbraw/zinc/42/80/08/653428008.db2.gz ACHWROVHFLJFHY-GOSISDBHSA-N 1 0 394.313 1.840 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1c(Br)cnn1C ZINC000633171720 653430510 /nfs/dbraw/zinc/43/05/10/653430510.db2.gz DDUWACVPSXYVMV-GFCCVEGCSA-N 1 0 387.326 1.008 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)c2nccn2c1 ZINC000633257360 653434872 /nfs/dbraw/zinc/43/48/72/653434872.db2.gz UIINMMRLCOJKAR-CYBMUJFWSA-N 1 0 381.274 1.673 20 0 GDADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc2cncc(Br)c2n1 ZINC000633318094 653437224 /nfs/dbraw/zinc/43/72/24/653437224.db2.gz BZPTTWCHKNGBAC-BETUJISGSA-N 1 0 391.269 1.985 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000633555989 653454976 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GDADRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1c(Br)cnn1C ZINC000637635343 653530245 /nfs/dbraw/zinc/53/02/45/653530245.db2.gz FPDLATMUHXYMPX-UHFFFAOYSA-N 1 0 390.326 1.682 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000637649569 653530526 /nfs/dbraw/zinc/53/05/26/653530526.db2.gz BYNMEYVUVKIHRN-HWMZRRJGSA-N 1 0 382.302 1.699 20 0 GDADRO NS(=O)(=O)c1cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000637896929 653531754 /nfs/dbraw/zinc/53/17/54/653531754.db2.gz PNLAOHYFTGYHRP-OAHLLOKOSA-N 1 0 387.933 1.674 20 0 GDADRO NS(=O)(=O)c1cc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000637896928 653531903 /nfs/dbraw/zinc/53/19/03/653531903.db2.gz PNLAOHYFTGYHRP-HNNXBMFYSA-N 1 0 387.933 1.674 20 0 GDADRO NS(=O)(=O)c1ccc(CN2CC[NH+](CCc3cccs3)CC2)c(F)c1 ZINC000637912488 653532003 /nfs/dbraw/zinc/53/20/03/653532003.db2.gz DIDCCWBFNPNSFE-UHFFFAOYSA-N 1 0 383.514 1.895 20 0 GDADRO C[C@@]1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C[NH2+]CCO1 ZINC000637911823 653532076 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[NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000637968138 653533571 /nfs/dbraw/zinc/53/35/71/653533571.db2.gz CZIJQGSKGYCSMJ-MFKMUULPSA-N 1 0 385.649 2.547 20 0 GDADRO O=C(CN1CC[NH2+]CC1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000637974560 653534086 /nfs/dbraw/zinc/53/40/86/653534086.db2.gz WURGMODHIMTJKC-UHFFFAOYSA-N 1 0 396.329 1.519 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(Cl)c(S(N)(=O)=O)c3)CC2)C1 ZINC000638059313 653535350 /nfs/dbraw/zinc/53/53/50/653535350.db2.gz YXYUPJXIWJFQNH-OAHLLOKOSA-N 1 0 386.949 1.199 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C[NH2+]CCO1 ZINC000638077054 653535610 /nfs/dbraw/zinc/53/56/10/653535610.db2.gz PHYIQMWCMVZFEF-GUYCJALGSA-N 1 0 382.302 1.770 20 0 GDADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000638339359 653538578 /nfs/dbraw/zinc/53/85/78/653538578.db2.gz MIAMBWIFXIJLRO-PBHICJAKSA-N 1 0 398.301 1.968 20 0 GDADRO CNC(=O)CN1CCC([NH2+]Cc2snc(OC)c2Br)CC1 ZINC000638356437 653538759 /nfs/dbraw/zinc/53/87/59/653538759.db2.gz BZPWMJJOLQGZPH-UHFFFAOYSA-N 1 0 377.308 1.214 20 0 GDADRO [NH3+]C1(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCOCC1 ZINC000638537320 653539213 /nfs/dbraw/zinc/53/92/13/653539213.db2.gz NSKKPPSUYRLYHT-LBPRGKRZSA-N 1 0 396.285 1.426 20 0 GDADRO [NH3+]C1(CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CCOCC1 ZINC000638537683 653539222 /nfs/dbraw/zinc/53/92/22/653539222.db2.gz RQGJNTKQPCEOCH-LLVKDONJSA-N 1 0 386.279 1.970 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638547587 653539348 /nfs/dbraw/zinc/53/93/48/653539348.db2.gz GYCMDRQCIXUQMY-NXEZZACHSA-N 1 0 399.460 1.598 20 0 GDADRO NC(=O)CSc1ccccc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638553501 653539674 /nfs/dbraw/zinc/53/96/74/653539674.db2.gz VLFBJPHJZNTKCL-ZYHUDNBSSA-N 1 0 375.416 1.863 20 0 GDADRO CS(=O)(=O)c1ccccc1CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638556709 653539937 /nfs/dbraw/zinc/53/99/37/653539937.db2.gz DXEBPTPZEVGINP-CHWSQXEVSA-N 1 0 378.416 1.618 20 0 GDADRO [NH3+]C[C@@]1(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCCOC1 ZINC000638595305 653541165 /nfs/dbraw/zinc/54/11/65/653541165.db2.gz HAEAHCVEGVYLHJ-YOEHRIQHSA-N 1 0 396.285 1.426 20 0 GDADRO COC[C@@]1(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]C1 ZINC000638595833 653541394 /nfs/dbraw/zinc/54/13/94/653541394.db2.gz KLGZWAWAQQYGDA-WMLDXEAASA-N 1 0 396.285 1.297 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000638643283 653541525 /nfs/dbraw/zinc/54/15/25/653541525.db2.gz JHPHBWJBSWOYKL-VHSXEESVSA-N 1 0 380.297 1.528 20 0 GDADRO O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596567 653541586 /nfs/dbraw/zinc/54/15/86/653541586.db2.gz QSWWMRRLFVVNBI-GXTWGEPZSA-N 1 0 398.326 1.766 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000638767212 653543074 /nfs/dbraw/zinc/54/30/74/653543074.db2.gz AYSYYKXLHREZMS-MWODSPESSA-N 1 0 380.242 1.300 20 0 GDADRO O=c1c(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cccn1C(F)F ZINC000638773610 653543270 /nfs/dbraw/zinc/54/32/70/653543270.db2.gz NEMIHZRMDHADMW-NSHDSACASA-N 1 0 378.422 1.229 20 0 GDADRO CN(CC[NH2+]Cc1cccn(C(F)F)c1=O)S(=O)(=O)c1cccs1 ZINC000638788437 653543731 /nfs/dbraw/zinc/54/37/31/653543731.db2.gz XMPCXAAQRJYESV-UHFFFAOYSA-N 1 0 377.438 1.715 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C2 ZINC000638825245 653544228 /nfs/dbraw/zinc/54/42/28/653544228.db2.gz OGXQINAYINDAHY-INIZCTEOSA-N 1 0 382.302 1.742 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000638830270 653544688 /nfs/dbraw/zinc/54/46/88/653544688.db2.gz CVXVBKFLWQDCOV-BJKJVOPESA-N 1 0 380.286 1.303 20 0 GDADRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000639160075 653547532 /nfs/dbraw/zinc/54/75/32/653547532.db2.gz AILAEAJHAXZCFP-WFASDCNBSA-N 1 0 380.290 1.787 20 0 GDADRO CS(=O)(=O)CC1(C[NH2+]Cc2cnn3cc(Br)cnc23)CCC1 ZINC000639271952 653548741 /nfs/dbraw/zinc/54/87/41/653548741.db2.gz XFVNCSASSWMXTG-UHFFFAOYSA-N 1 0 387.303 1.796 20 0 GDADRO Cc1nn(C)c(NC(=O)NCCC[N@@H+](C)CCN(C)C)c1Br ZINC000640168627 653556415 /nfs/dbraw/zinc/55/64/15/653556415.db2.gz QZMWGQRBYVKWEY-UHFFFAOYSA-N 1 0 375.315 1.496 20 0 GDADRO COC1CC[NH+](CCNC(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC1 ZINC000640294298 653557322 /nfs/dbraw/zinc/55/73/22/653557322.db2.gz BYCSCXMIYSJUMQ-UHFFFAOYSA-N 1 0 383.802 2.331 20 0 GDADRO COCC[C@@H]([NH3+])Cc1cn(C[C@@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641197717 653562729 /nfs/dbraw/zinc/56/27/29/653562729.db2.gz YHIKJTDCLDLWTJ-TZMCWYRMSA-N 1 0 389.283 1.931 20 0 GDADRO COc1cc(CS(=O)(=O)NCc2cccc(OCC[NH+](C)C)c2)sn1 ZINC000641284039 653564206 /nfs/dbraw/zinc/56/42/06/653564206.db2.gz ZLLRXHKKKKNHJI-UHFFFAOYSA-N 1 0 385.511 1.712 20 0 GDADRO COC[C@H](CS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)OC ZINC000641350565 653565494 /nfs/dbraw/zinc/56/54/94/653565494.db2.gz FOQLIZGFNMPBTD-FMKPAKJESA-N 1 0 376.544 1.712 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)Cc2cc(OC)ns2)C1 ZINC000641365580 653566394 /nfs/dbraw/zinc/56/63/94/653566394.db2.gz OHCAPHLIARNCOQ-CYBMUJFWSA-N 1 0 377.532 1.414 20 0 GDADRO CC(C)C[C@H](NS(=O)(=O)CCC(F)(F)F)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000641600578 653572606 /nfs/dbraw/zinc/57/26/06/653572606.db2.gz NZVQBLFCVOYLSN-OLZOCXBDSA-N 1 0 387.468 1.435 20 0 GDADRO O=C(NCc1cc(Cl)ccc1OC(F)F)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642359065 653578260 /nfs/dbraw/zinc/57/82/60/653578260.db2.gz VIIVREBYAGDKGN-LBPRGKRZSA-N 1 0 375.803 1.816 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC[C@H]1[NH3+] ZINC000642355267 653578261 /nfs/dbraw/zinc/57/82/61/653578261.db2.gz UBQGDPVBZSLJTG-OPRDCNLKSA-N 1 0 378.420 1.925 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642367202 653578367 /nfs/dbraw/zinc/57/83/67/653578367.db2.gz ZAKXCKWFMCHRGV-JTQLQIEISA-N 1 0 386.265 1.504 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000642808842 653579588 /nfs/dbraw/zinc/57/95/88/653579588.db2.gz JKUMIPNVNRMDHH-GFCCVEGCSA-N 1 0 385.295 1.557 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000642909282 653579802 /nfs/dbraw/zinc/57/98/02/653579802.db2.gz JTQDSWIZULAEAT-SDBXPKJASA-N 1 0 378.231 1.496 20 0 GDADRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000643502447 653583218 /nfs/dbraw/zinc/58/32/18/653583218.db2.gz GWXJSWDPBUDIIY-CMPLNLGQSA-N 1 0 376.320 1.889 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643508972 653583339 /nfs/dbraw/zinc/58/33/39/653583339.db2.gz XTPOTFNGLAKWNG-UHFFFAOYSA-N 1 0 382.302 1.790 20 0 GDADRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000643619914 653583998 /nfs/dbraw/zinc/58/39/98/653583998.db2.gz JNJNYSNFDMBCPV-JOYOIKCWSA-N 1 0 378.281 1.174 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000643986487 653593603 /nfs/dbraw/zinc/59/36/03/653593603.db2.gz PYBUTKSHKPWDOG-HNNXBMFYSA-N 1 0 382.302 1.912 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3(C)C)C2)s1 ZINC000644074376 653595270 /nfs/dbraw/zinc/59/52/70/653595270.db2.gz MYRKKPQITQJXNR-CQSZACIVSA-N 1 0 385.555 1.668 20 0 GDADRO COc1ncc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1Br ZINC000644082857 653595451 /nfs/dbraw/zinc/59/54/51/653595451.db2.gz PHTVOCBEOCKXMH-UHFFFAOYSA-N 1 0 392.257 1.910 20 0 GDADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644142759 653595998 /nfs/dbraw/zinc/59/59/98/653595998.db2.gz FQPLCWJRMLMPDE-AAEUAGOBSA-N 1 0 387.253 1.777 20 0 GDADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000644143922 653596004 /nfs/dbraw/zinc/59/60/04/653596004.db2.gz QNGKMXMAPSITTK-AWEZNQCLSA-N 1 0 383.539 1.795 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000644300497 653597421 /nfs/dbraw/zinc/59/74/21/653597421.db2.gz QBKWGTSTEFBZLN-GWCFXTLKSA-N 1 0 375.288 1.782 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000644299353 653597454 /nfs/dbraw/zinc/59/74/54/653597454.db2.gz JJTSAWVVVTWJHO-IINYFYTJSA-N 1 0 375.288 1.782 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)C3CN(C(=O)c4cccc(Cl)c4)C3)[C@H]2C1 ZINC000644302283 653597496 /nfs/dbraw/zinc/59/74/96/653597496.db2.gz OQSKZXYAJYFTHN-CJNGLKHVSA-N 1 0 383.901 1.130 20 0 GDADRO O=C1NCCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000644555715 653599257 /nfs/dbraw/zinc/59/92/57/653599257.db2.gz OCCGMCZTDRBLFN-MFKMUULPSA-N 1 0 375.238 1.444 20 0 GDADRO O[C@@H](C[NH2+]CC1(N2CCOCC2)CC1)COc1ccc(Br)cc1 ZINC000644633268 653599760 /nfs/dbraw/zinc/59/97/60/653599760.db2.gz VIPUYXZJFIXSAJ-HNNXBMFYSA-N 1 0 385.302 1.643 20 0 GDADRO O=C1C[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)[C@@H]2CCCCN12 ZINC000644641299 653599871 /nfs/dbraw/zinc/59/98/71/653599871.db2.gz PRUSPIUSOWULAN-BPUTZDHNSA-N 1 0 383.286 1.932 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000644646112 653599903 /nfs/dbraw/zinc/59/99/03/653599903.db2.gz LMBBSWFSISBKRS-SJORKVTESA-N 1 0 390.933 1.621 20 0 GDADRO CC[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)C(=O)NCc1cccs1 ZINC000645260207 653602043 /nfs/dbraw/zinc/60/20/43/653602043.db2.gz IPUPMUWUIIFBBH-YOEHRIQHSA-N 1 0 384.571 1.879 20 0 GDADRO CO[C@@H](CS(=O)(=O)N1CC[NH+](CCC(C)(C)C)CC1)C1CCOCC1 ZINC000645485003 653603142 /nfs/dbraw/zinc/60/31/42/653603142.db2.gz BUVUGVOWTJGYHG-KRWDZBQOSA-N 1 0 376.563 1.812 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000645623253 653604969 /nfs/dbraw/zinc/60/49/69/653604969.db2.gz RCCQIQKGQGIAMI-SDBXPKJASA-N 1 0 388.212 1.828 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645626398 653604992 /nfs/dbraw/zinc/60/49/92/653604992.db2.gz KDWFXEBXBGPHHF-GFCCVEGCSA-N 1 0 390.811 1.830 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(F)cc(F)c3Br)[C@@H]2C1 ZINC000645625923 653604995 /nfs/dbraw/zinc/60/49/95/653604995.db2.gz NEIJHCLQCSGKOV-PRHODGIISA-N 1 0 388.212 1.828 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000645834333 653607186 /nfs/dbraw/zinc/60/71/86/653607186.db2.gz KVXTYXIGZFVDAX-JTQLQIEISA-N 1 0 380.297 1.734 20 0 GDADRO COc1ccc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1Cl ZINC000645834223 653607215 /nfs/dbraw/zinc/60/72/15/653607215.db2.gz GNFWPGKGZQAUPD-LLVKDONJSA-N 1 0 375.878 1.089 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000645835468 653607314 /nfs/dbraw/zinc/60/73/14/653607314.db2.gz SCVIMDGWSFIIFI-VIFPVBQESA-N 1 0 398.287 1.873 20 0 GDADRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1nc2ccc(Br)cc2o1 ZINC000646075577 653608797 /nfs/dbraw/zinc/60/87/97/653608797.db2.gz KHBOLWZLZLSNIT-UHFFFAOYSA-N 1 0 379.214 1.764 20 0 GDADRO C[NH+]1CCC2(CC1)CN([C@@H](C(N)=O)c1ccc(Br)cc1)CCO2 ZINC000646105967 653608874 /nfs/dbraw/zinc/60/88/74/653608874.db2.gz AVXKXSCBUVJHBN-OAHLLOKOSA-N 1 0 382.302 1.772 20 0 GDADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000646210650 653609146 /nfs/dbraw/zinc/60/91/46/653609146.db2.gz CILVBDGDJBLUTC-GXSJLCMTSA-N 1 0 379.682 1.909 20 0 GDADRO NS(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1 ZINC000646359714 653609940 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1.995 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CCO1 ZINC000646851553 653615087 /nfs/dbraw/zinc/61/50/87/653615087.db2.gz XEBQCCBMGQLMKO-CMPLNLGQSA-N 1 0 380.495 1.574 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CCO1 ZINC000646861907 653615241 /nfs/dbraw/zinc/61/52/41/653615241.db2.gz QBWHVFJMXYCHHK-IAQYHMDHSA-N 1 0 379.258 1.823 20 0 GDADRO CC1([NH3+])CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000646993469 653618899 /nfs/dbraw/zinc/61/88/99/653618899.db2.gz XRXYFCARNLLJMD-UHFFFAOYSA-N 1 0 379.404 1.324 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000647068362 653619974 /nfs/dbraw/zinc/61/99/74/653619974.db2.gz MYRSMPHWMNDSIL-MNOVXSKESA-N 1 0 377.304 1.855 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000647202062 653623251 /nfs/dbraw/zinc/62/32/51/653623251.db2.gz KWNZNDXRPSOMNV-NSHDSACASA-N 1 0 375.878 1.727 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647234694 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20 0 GDADRO [NH3+]CC1(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC000647806271 653634739 /nfs/dbraw/zinc/63/47/39/653634739.db2.gz CXUQPBBPEMYZRK-UHFFFAOYSA-N 1 0 390.303 1.115 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)CCOc3ccccc3Br)C2)CC1 ZINC000647825137 653635142 /nfs/dbraw/zinc/63/51/42/653635142.db2.gz IXFXPEQTFFCGPS-UHFFFAOYSA-N 1 0 396.329 1.924 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000647832564 653635688 /nfs/dbraw/zinc/63/56/88/653635688.db2.gz BGVZOEYTWGOIAW-DZGCQCFKSA-N 1 0 385.555 1.626 20 0 GDADRO [NH3+][C@@H](CNC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000648106265 653638755 /nfs/dbraw/zinc/63/87/55/653638755.db2.gz RUBVLGDOPBFMSF-NSHDSACASA-N 1 0 399.822 1.491 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648104924 653638781 /nfs/dbraw/zinc/63/87/81/653638781.db2.gz RMTDPBWLBQGTRK-CJNGLKHVSA-N 1 0 385.917 1.609 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000648120317 653639126 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C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)C[C@@H]3CCCCC3(F)F)CC2)C1 ZINC000649766208 653673895 /nfs/dbraw/zinc/67/38/95/653673895.db2.gz HHIVWTILHIRHOO-JKSUJKDBSA-N 1 0 379.517 1.854 20 0 GDADRO COc1cc(C)c(Br)cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650308547 653691324 /nfs/dbraw/zinc/69/13/24/653691324.db2.gz VQCLIFIWZUWKIE-UHFFFAOYSA-N 1 0 398.301 1.612 20 0 GDADRO Cc1cc(Br)c(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)s1 ZINC000651582508 653834412 /nfs/dbraw/zinc/83/44/12/653834412.db2.gz MWOSOBQAETWSHB-UHFFFAOYSA-N 1 0 396.376 1.486 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1=O ZINC000651792234 653856716 /nfs/dbraw/zinc/85/67/16/653856716.db2.gz KGPHOXVKBPMANQ-UHFFFAOYSA-N 1 0 380.297 1.388 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3c(F)cc(Br)cc3F)C[C@@H]21 ZINC000651842596 653863409 /nfs/dbraw/zinc/86/34/09/653863409.db2.gz IRAZSNMEUCKJKQ-PELKAZGASA-N 1 0 388.212 1.828 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652633854 653894427 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0 GDADRO O=C([C@H]1CCOc2ccc(Br)cc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000653140482 653907175 /nfs/dbraw/zinc/90/71/75/653907175.db2.gz CBERLDPDMJWWQC-CABCVRRESA-N 1 0 394.313 1.821 20 0 GDADRO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653153422 653907222 /nfs/dbraw/zinc/90/72/22/653907222.db2.gz OQVYHJFGUSULFL-ZBEGNZNMSA-N 1 0 377.242 1.809 20 0 GDADRO [NH3+]CC1(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000653216442 653908173 /nfs/dbraw/zinc/90/81/73/653908173.db2.gz ZYFJXVKCEKIGAX-UHFFFAOYSA-N 1 0 385.555 1.710 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653232508 653908951 /nfs/dbraw/zinc/90/89/51/653908951.db2.gz CLRFIBSUJREQSK-XEZPLFJOSA-N 1 0 387.933 1.983 20 0 GDADRO CCO[C@@H]1CN(C(=O)c2c3ccc(Br)cc3nn2C)C[C@H]1C[NH3+] ZINC000653248920 653909226 /nfs/dbraw/zinc/90/92/26/653909226.db2.gz IWLMXEVGOLWNSL-QMTHXVAHSA-N 1 0 381.274 1.772 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCCC1CC[NH2+]CC1 ZINC000653268596 653909415 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20 0 GDADRO NS(=O)(=O)c1sc(Cl)cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655348684 653967232 /nfs/dbraw/zinc/96/72/32/653967232.db2.gz HOBZTMUBYTVLMD-MNOVXSKESA-N 1 0 377.919 1.796 20 0 GDADRO CN(C)c1ncc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000655460696 653969911 /nfs/dbraw/zinc/96/99/11/653969911.db2.gz WELVQAFGYJGXOC-GFCCVEGCSA-N 1 0 379.814 1.367 20 0 GDADRO [NH3+]C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C(F)(F)F ZINC000655509071 653972666 /nfs/dbraw/zinc/97/26/66/653972666.db2.gz IZTLCBWOEWKGRT-GZMMTYOYSA-N 1 0 394.191 1.808 20 0 GDADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648411 653984920 /nfs/dbraw/zinc/98/49/20/653984920.db2.gz PTBODSKVCAFDMP-QWHCGFSZSA-N 1 0 380.388 1.166 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1)C(F)(F)F ZINC000655927942 653994808 /nfs/dbraw/zinc/99/48/08/653994808.db2.gz JVDRQWNKFRHWFM-CMPLNLGQSA-N 1 0 398.223 1.789 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F)C(F)(F)F ZINC000655929896 653995013 /nfs/dbraw/zinc/99/50/13/653995013.db2.gz XVTKRRBONPHNOG-WCBMZHEXSA-N 1 0 375.269 1.807 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1F ZINC000655957409 653996222 /nfs/dbraw/zinc/99/62/22/653996222.db2.gz YBWPDCNOOYHKOZ-MRVPVSSYSA-N 1 0 386.143 1.841 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C(F)(F)F ZINC000655957707 653996432 /nfs/dbraw/zinc/99/64/32/653996432.db2.gz DAOFAMCMTXMJML-QMMMGPOBSA-N 1 0 375.681 1.886 20 0 GDADRO C[C@@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ncc(Br)cn1 ZINC000655964002 653996736 /nfs/dbraw/zinc/99/67/36/653996736.db2.gz GMWMRRDGCLPEDX-LLVKDONJSA-N 1 0 386.294 1.398 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCc2cccc(Br)c2C)CC[C@H]1[NH3+] ZINC000656024725 654000416 /nfs/dbraw/zinc/00/04/16/654000416.db2.gz UNQIEZDGRFPWKD-IUODEOHRSA-N 1 0 382.302 1.960 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656069060 654001220 /nfs/dbraw/zinc/00/12/20/654001220.db2.gz OYQPIVIEHLNUID-FZNQNYSPSA-N 1 0 396.329 1.906 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000656093355 654002415 /nfs/dbraw/zinc/00/24/15/654002415.db2.gz TYQLZAKXLMBWRR-CQSZACIVSA-N 1 0 385.306 1.783 20 0 GDADRO O=c1c(Cl)c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000656219135 654011182 /nfs/dbraw/zinc/01/11/82/654011182.db2.gz MEJRMWGMKFXLCT-UONOGXRCSA-N 1 0 381.263 1.795 20 0 GDADRO CCC(C)(C)[NH+]1CCN(c2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000656214834 654011224 /nfs/dbraw/zinc/01/12/24/654011224.db2.gz GZLUUUUEWHSKPF-UHFFFAOYSA-N 1 0 391.335 1.802 20 0 GDADRO O[C@@H]1C[C@H]2CN(Cc3cn(-c4ccccc4Br)nn3)CC[N@@H+]2C1 ZINC000656273734 654012581 /nfs/dbraw/zinc/01/25/81/654012581.db2.gz PMVVHNNTFXKEJH-UONOGXRCSA-N 1 0 378.274 1.281 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCc2ccc(Br)s2)C1 ZINC000656289016 654013090 /nfs/dbraw/zinc/01/30/90/654013090.db2.gz ISTSHEGUCBUISB-PHIMTYICSA-N 1 0 388.331 1.626 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CF)c(C)c[nH+]1 ZINC000656376817 654024380 /nfs/dbraw/zinc/02/43/80/654024380.db2.gz JNGVHMDEGXIIGB-AWEZNQCLSA-N 1 0 393.506 1.016 20 0 GDADRO CN(CCC[NH+](C)C)CCN[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000656683054 654046948 /nfs/dbraw/zinc/04/69/48/654046948.db2.gz XDDQSKRNARWXEQ-OAHLLOKOSA-N 1 0 389.313 1.588 20 0 GDADRO CO[C@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCOC1 ZINC000656704172 654047556 /nfs/dbraw/zinc/04/75/56/654047556.db2.gz GRDRDVSKIVGSNE-DIOULYMOSA-N 1 0 392.265 1.969 20 0 GDADRO CO[C@@H](CS(=O)(=O)NCCCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000656874810 654061084 /nfs/dbraw/zinc/06/10/84/654061084.db2.gz WSHVTTBWIDVAEP-SFHVURJKSA-N 1 0 375.579 1.529 20 0 GDADRO CO[C@H](CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCOC1 ZINC000656876283 654061651 /nfs/dbraw/zinc/06/16/51/654061651.db2.gz XNWOCYGCBVMAGR-JKSUJKDBSA-N 1 0 392.587 1.319 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2C1 ZINC000656878059 654062374 /nfs/dbraw/zinc/06/23/74/654062374.db2.gz VDKZDRMWRAPHJV-HUUCEWRRSA-N 1 0 383.539 1.558 20 0 GDADRO CO[C@H](CS(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCOC1 ZINC000656882245 654063248 /nfs/dbraw/zinc/06/32/48/654063248.db2.gz FECFZXFQVKMMEL-QBPKDAKJSA-N 1 0 376.563 1.714 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657033689 654104753 /nfs/dbraw/zinc/10/47/53/654104753.db2.gz LFYMHVGLJZYJEE-AWEZNQCLSA-N 1 0 388.555 1.797 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000657035291 654104759 /nfs/dbraw/zinc/10/47/59/654104759.db2.gz WAWJPYFLSYAQFR-HNNXBMFYSA-N 1 0 388.555 1.630 20 0 GDADRO Cc1cccc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)c1Br ZINC000657090381 654107739 /nfs/dbraw/zinc/10/77/39/654107739.db2.gz DEDJRIIVPBUUBK-UHFFFAOYSA-N 1 0 392.363 1.919 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cccc2c1OC(F)(F)O2 ZINC000657090847 654108122 /nfs/dbraw/zinc/10/81/22/654108122.db2.gz IJSYEWUJQBXBQI-UHFFFAOYSA-N 1 0 379.429 1.170 20 0 GDADRO Cc1ccc(Br)cc1S(=O)(=O)NCCN(C)CCC[NH+](C)C ZINC000657092206 654108883 /nfs/dbraw/zinc/10/88/83/654108883.db2.gz HZSKFAGTFFABIQ-UHFFFAOYSA-N 1 0 392.363 1.919 20 0 GDADRO NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000657161678 654135593 /nfs/dbraw/zinc/13/55/93/654135593.db2.gz PXLBQHJRAHLUOF-ZDUSSCGKSA-N 1 0 387.527 1.019 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCNC1=O ZINC000657276932 654148794 /nfs/dbraw/zinc/14/87/94/654148794.db2.gz VUJVJRLTXCLORS-RYUDHWBXSA-N 1 0 398.301 1.578 20 0 GDADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)C(C)(C)n1cncn1 ZINC000658091270 654181494 /nfs/dbraw/zinc/18/14/94/654181494.db2.gz DABNPHCPZOQLOC-LLVKDONJSA-N 1 0 381.278 1.579 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N[C@H]3CC[NH2+]C4(CCC4)C3)cc2C1 ZINC000658400593 654189909 /nfs/dbraw/zinc/18/99/09/654189909.db2.gz KUELVAAWSWUFIR-AWEZNQCLSA-N 1 0 383.539 1.606 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000658401247 654189966 /nfs/dbraw/zinc/18/99/66/654189966.db2.gz AXYJMKOQSXICAN-GFCCVEGCSA-N 1 0 388.511 1.052 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000659113167 654215302 /nfs/dbraw/zinc/21/53/02/654215302.db2.gz NEMIBZYRNKKMCW-SNVBAGLBSA-N 1 0 384.267 1.901 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000659324773 654222451 /nfs/dbraw/zinc/22/24/51/654222451.db2.gz KTKKKLMMYQAOTA-UHFFFAOYSA-N 1 0 395.301 1.764 20 0 GDADRO [NH3+]CCCn1cc(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)nn1 ZINC000659370172 654224197 /nfs/dbraw/zinc/22/41/97/654224197.db2.gz WXCAEYWXYOFWJA-HNNXBMFYSA-N 1 0 394.273 1.603 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000659387034 654224580 /nfs/dbraw/zinc/22/45/80/654224580.db2.gz MJPWWYJKUDCXFL-ZEGGKSINSA-N 1 0 398.232 1.331 20 0 GDADRO COc1cc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)ccc1OC(F)F ZINC000659381957 654224642 /nfs/dbraw/zinc/22/46/42/654224642.db2.gz NRZZOEBRONJKEY-UHFFFAOYSA-N 1 0 378.397 1.402 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000659428321 654226418 /nfs/dbraw/zinc/22/64/18/654226418.db2.gz RTUNMFLLNFIMHZ-CYBMUJFWSA-N 1 0 386.543 1.317 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000659441384 654227329 /nfs/dbraw/zinc/22/73/29/654227329.db2.gz SUQQDXKLUFRJRF-UHFFFAOYSA-N 1 0 381.274 1.312 20 0 GDADRO Cc1ccc(C[C@@H](CO)CNC(=O)NCC23CC(C2)C[NH2+]3)cc1Br ZINC000659613977 654229876 /nfs/dbraw/zinc/22/98/76/654229876.db2.gz PSGLNNXAWAXPSA-KSTDHSDQSA-N 1 0 396.329 1.960 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2Cc3cccc(Br)c3C2)n1 ZINC000659631115 654230365 /nfs/dbraw/zinc/23/03/65/654230365.db2.gz RBNADLCTRLESSE-UHFFFAOYSA-N 1 0 378.230 1.629 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000659643104 654230817 /nfs/dbraw/zinc/23/08/17/654230817.db2.gz NOVSZEBWDAGTSS-RYUDHWBXSA-N 1 0 388.306 1.516 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000659640758 654230885 /nfs/dbraw/zinc/23/08/85/654230885.db2.gz YAEAMDZPVCACBX-LLVKDONJSA-N 1 0 398.305 1.812 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ncccc2Br)CCO1 ZINC000660154532 654241936 /nfs/dbraw/zinc/24/19/36/654241936.db2.gz IKIACEISPOGWOS-GFCCVEGCSA-N 1 0 392.319 1.575 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ncccc2Br)CCO1 ZINC000660154534 654242057 /nfs/dbraw/zinc/24/20/57/654242057.db2.gz IKIACEISPOGWOS-LBPRGKRZSA-N 1 0 392.319 1.575 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000660177265 654245032 /nfs/dbraw/zinc/24/50/32/654245032.db2.gz ASJAPRVRBGLYJV-HNNXBMFYSA-N 1 0 386.539 1.490 20 0 GDADRO O=C(C[NH2+][C@H](CO)C1CCC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000661155292 654264766 /nfs/dbraw/zinc/26/47/66/654264766.db2.gz DQHKAKJMOLTPOO-GDBMZVCRSA-N 1 0 386.539 1.014 20 0 GDADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1COCCO1 ZINC000661613626 654278507 /nfs/dbraw/zinc/27/85/07/654278507.db2.gz ZSCJJHYZRBOEIE-ZFWWWQNUSA-N 1 0 378.238 1.675 20 0 GDADRO CCN(CC(=O)NCc1cccs1)C(=O)CN(C)[C@H](C[NH3+])C(F)(F)F ZINC000662328634 654292969 /nfs/dbraw/zinc/29/29/69/654292969.db2.gz CTGYXLHXHPMQBV-GFCCVEGCSA-N 1 0 380.436 1.034 20 0 GDADRO C[C@@H](C(=O)N(C)CC(C)(C)[NH3+])N1C(=O)c2ccc(Br)cc2C1=O ZINC000662605015 654297657 /nfs/dbraw/zinc/29/76/57/654297657.db2.gz JLQWJTHIULFYCG-VIFPVBQESA-N 1 0 382.258 1.629 20 0 GDADRO O=C(NCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)c1ccc(Br)cn1 ZINC000662622834 654298527 /nfs/dbraw/zinc/29/85/27/654298527.db2.gz UTRVSQAKSXUIIV-JSGCOSHPSA-N 1 0 381.274 1.221 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000662822997 654303768 /nfs/dbraw/zinc/30/37/68/654303768.db2.gz QXBLLBQNULBDMG-VXGBXAGGSA-N 1 0 395.301 1.762 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000662877616 654315881 /nfs/dbraw/zinc/31/58/81/654315881.db2.gz YQRAHFHPCLLMIJ-UHFFFAOYSA-N 1 0 387.299 1.314 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663010228 654318177 /nfs/dbraw/zinc/31/81/77/654318177.db2.gz NSPPRHYTZASDOM-XHDPSFHLSA-N 1 0 389.315 1.727 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000663311856 654333010 /nfs/dbraw/zinc/33/30/10/654333010.db2.gz RFEWXHSWTLRRCQ-JTQLQIEISA-N 1 0 391.209 1.968 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663312476 654333027 /nfs/dbraw/zinc/33/30/27/654333027.db2.gz CZHFXVNQBYEIJY-AWEZNQCLSA-N 1 0 393.303 1.505 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1Br ZINC000663312656 654333321 /nfs/dbraw/zinc/33/33/21/654333321.db2.gz DVHJHSFVRHUWQG-CQSZACIVSA-N 1 0 390.303 1.746 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000663538293 654340851 /nfs/dbraw/zinc/34/08/51/654340851.db2.gz GPMLQVKECQLSJD-UHFFFAOYSA-N 1 0 394.317 1.861 20 0 GDADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3cc(Br)cnn3)C[C@H]2C)CC1 ZINC000663721513 654350185 /nfs/dbraw/zinc/35/01/85/654350185.db2.gz UTQHWDIVIHKQCE-DOMZBBRYSA-N 1 0 382.306 1.618 20 0 GDADRO O=C1CC[C@@H]([NH+]2CCN(c3nnc4ccc(Br)cn43)CC2)CCN1 ZINC000663983499 654363723 /nfs/dbraw/zinc/36/37/23/654363723.db2.gz GOTWGWLMZUNYQC-CYBMUJFWSA-N 1 0 393.289 1.283 20 0 GDADRO Cc1nc(NCC2CC[NH+](Cc3ccncc3)CC2)sc1S(N)(=O)=O ZINC000664283032 654372991 /nfs/dbraw/zinc/37/29/91/654372991.db2.gz MLXKFOZHKCRGOS-UHFFFAOYSA-N 1 0 381.527 1.818 20 0 GDADRO CC[NH+](CC)CCCNC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000665151697 654398810 /nfs/dbraw/zinc/39/88/10/654398810.db2.gz HPXPAEJTZJKNDN-UHFFFAOYSA-N 1 0 381.278 1.887 20 0 GDADRO CC1(C)CC(NC(=O)CSc2nnnn2CC(F)(F)F)CC(C)(C)[NH2+]1 ZINC000665855430 654413579 /nfs/dbraw/zinc/41/35/79/654413579.db2.gz RCFLJAWOLPTOKR-UHFFFAOYSA-N 1 0 380.440 1.753 20 0 GDADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000731843211 654447734 /nfs/dbraw/zinc/44/77/34/654447734.db2.gz MJVWERODVIWCND-UEYGRWJOSA-N 1 0 382.404 1.354 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000731853125 654448739 /nfs/dbraw/zinc/44/87/39/654448739.db2.gz CPYDHIGAPQKFGK-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000667404793 654449282 /nfs/dbraw/zinc/44/92/82/654449282.db2.gz XODJLZYNZODJQI-RISCZKNCSA-N 1 0 384.274 1.579 20 0 GDADRO CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)S(N)(=O)=O ZINC000667431618 654450847 /nfs/dbraw/zinc/45/08/47/654450847.db2.gz AKCCVWIGQGVYMI-HNNXBMFYSA-N 1 0 377.457 1.312 20 0 GDADRO CCS(=O)(=O)N[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000667432298 654450901 /nfs/dbraw/zinc/45/09/01/654450901.db2.gz ZSMVLLPSLRJDGE-GFCCVEGCSA-N 1 0 377.457 1.183 20 0 GDADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC[NH2+]1 ZINC000667520524 654453516 /nfs/dbraw/zinc/45/35/16/654453516.db2.gz MBJYVMIQKBLIKL-CYBMUJFWSA-N 1 0 387.889 1.138 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC000667540131 654454621 /nfs/dbraw/zinc/45/46/21/654454621.db2.gz BUXIPTFGKHSOJJ-GXFFZTMASA-N 1 0 382.258 1.607 20 0 GDADRO O=C(Nc1cnc(N2CCOCC2)c(Br)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000667554648 654455533 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O=C(NCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1cccc(Br)c1 ZINC000669436812 654504891 /nfs/dbraw/zinc/50/48/91/654504891.db2.gz JBQOLKQKFXHKHX-HIFRSBDPSA-N 1 0 395.301 1.572 20 0 GDADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669571828 654506253 /nfs/dbraw/zinc/50/62/53/654506253.db2.gz HSAPWTHNOKZMOX-HIFRSBDPSA-N 1 0 395.301 1.996 20 0 GDADRO C[C@H]([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000669939043 654515270 /nfs/dbraw/zinc/51/52/70/654515270.db2.gz IJKJNIPMOUCJFN-CWRNSKLLSA-N 1 0 386.539 1.593 20 0 GDADRO COc1ccc(C[NH2+]CCCN2CCCS2(=O)=O)c(Br)c1 ZINC000671708354 654542468 /nfs/dbraw/zinc/54/24/68/654542468.db2.gz BCHJNTVLJMSYPK-UHFFFAOYSA-N 1 0 377.304 1.973 20 0 GDADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000671726192 654542645 /nfs/dbraw/zinc/54/26/45/654542645.db2.gz IVRGOAIEFJVKLX-HOCLYGCPSA-N 1 0 389.543 1.256 20 0 GDADRO C[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000771811936 654548572 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377.551 1.069 20 0 GDADRO C[N@@H+]1CCCN(CCCNC(=O)COc2ccccc2Br)CC1 ZINC000677926439 654678577 /nfs/dbraw/zinc/67/85/77/654678577.db2.gz ZJKKFBAZGDQJFA-UHFFFAOYSA-N 1 0 384.318 1.972 20 0 GDADRO C[C@@H]([NH2+]CCCCCCO)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000776166729 654684222 /nfs/dbraw/zinc/68/42/22/654684222.db2.gz DJTPMUCEGITMQV-CQSZACIVSA-N 1 0 392.543 1.616 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCc2ccc(S(=O)(=O)NC)cc21 ZINC000741510282 654690278 /nfs/dbraw/zinc/69/02/78/654690278.db2.gz HPYMYFJADYFKPB-CQSZACIVSA-N 1 0 382.555 1.316 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC[N@@H+]1C ZINC000741726142 654691634 /nfs/dbraw/zinc/69/16/34/654691634.db2.gz TVYCOCIYKLGQGH-HTQZYQBOSA-N 1 0 396.332 1.371 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000678721922 654694505 /nfs/dbraw/zinc/69/45/05/654694505.db2.gz PKGWDOMVRHXZOB-UHFFFAOYSA-N 1 0 389.949 1.995 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000679314278 654701110 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COc1ccc(CN2CCC[C@@H](CNS(N)(=O)=O)C2)c(Br)c1 ZINC000685410820 654817776 /nfs/dbraw/zinc/81/77/76/654817776.db2.gz JRGVUJOFORDHTL-NSHDSACASA-N 1 0 392.319 1.463 20 0 GDADRO COc1cc(CN2CC[C@H](S(N)(=O)=O)C2)cc(OC)c1OCC(F)F ZINC000685429518 654818331 /nfs/dbraw/zinc/81/83/31/654818331.db2.gz PDRLFMGDCUAZAH-NSHDSACASA-N 1 0 380.413 1.211 20 0 GDADRO COc1cc(CNC(=S)NCC[NH+](C)C)cc(Br)c1OC ZINC000749108562 654822763 /nfs/dbraw/zinc/82/27/63/654822763.db2.gz CMTMDMNCLYOBHC-UHFFFAOYSA-N 1 0 376.320 1.992 20 0 GDADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000685650304 654824589 /nfs/dbraw/zinc/82/45/89/654824589.db2.gz WJUHDMXZHIMUDD-JJRVBVJISA-N 1 0 386.539 1.657 20 0 GDADRO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(c2ccncc2Br)C1 ZINC000685915143 654831591 /nfs/dbraw/zinc/83/15/91/654831591.db2.gz XQPPYYACDPXNSC-NSHDSACASA-N 1 0 379.262 1.633 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CCC1 ZINC000782487184 654833362 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GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCNS(C)(=O)=O)C12CCCC2 ZINC000831028036 654966561 /nfs/dbraw/zinc/96/65/61/654966561.db2.gz ASJQZJMDNPSVNM-AWEZNQCLSA-N 1 0 375.535 1.838 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000754187140 654967907 /nfs/dbraw/zinc/96/79/07/654967907.db2.gz ZEHBGXADQSCSKU-OAHLLOKOSA-N 1 0 377.551 1.989 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000803201850 654968994 /nfs/dbraw/zinc/96/89/94/654968994.db2.gz ISZBQRGJPDPTFW-LBPRGKRZSA-N 1 0 382.302 1.790 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@H]2CSCCS2)C1 ZINC000787908265 654975452 /nfs/dbraw/zinc/97/54/52/654975452.db2.gz DCXHWEJAJMSEMX-OAGGEKHMSA-N 1 0 387.615 1.826 20 0 GDADRO COc1ccc(Br)c([C@@H](CO)N(C)C[C@H](O)C[NH+]2CCCC2)c1 ZINC000831243817 654977998 /nfs/dbraw/zinc/97/79/98/654977998.db2.gz XHNFSEPSOLADRL-SUMWQHHRSA-N 1 0 387.318 1.880 20 0 GDADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(CCNC(=O)OC)s2)CC1 ZINC000788017422 654978481 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O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841158867 655311213 /nfs/dbraw/zinc/31/12/13/655311213.db2.gz UKVZXVQDSBCVLY-SNVBAGLBSA-N 1 0 398.257 1.275 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841164363 655311601 /nfs/dbraw/zinc/31/16/01/655311601.db2.gz REAZVLVUKFEIQM-SNVBAGLBSA-N 1 0 398.257 1.369 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000768070280 655313460 /nfs/dbraw/zinc/31/34/60/655313460.db2.gz LMHOPAUKPNGRQU-OAGGEKHMSA-N 1 0 398.301 1.645 20 0 GDADRO Cc1c(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cnc(Cl)c1Br ZINC000841209521 655314227 /nfs/dbraw/zinc/31/42/27/655314227.db2.gz NASUTLOEHGWWNT-HTQZYQBOSA-N 1 0 389.681 1.953 20 0 GDADRO Cn1cc(Br)c(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)n1 ZINC000816055321 655314278 /nfs/dbraw/zinc/31/42/78/655314278.db2.gz DAIZFYZSCMTONU-SECBINFHSA-N 1 0 381.234 1.381 20 0 GDADRO C[C@]1(CNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CCC[NH2+]C1 ZINC000841211954 655314403 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C[NH+](C)CCOCCNC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841412939 655322029 /nfs/dbraw/zinc/32/20/29/655322029.db2.gz FTBYEMQMESBJOR-UHFFFAOYSA-N 1 0 383.242 1.864 20 0 GDADRO Cc1csc([C@](O)(CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C(F)(F)F)n1 ZINC000816625616 655330570 /nfs/dbraw/zinc/33/05/70/655330570.db2.gz JIIQKFVAINBBDG-BXUZGUMPSA-N 1 0 381.420 1.164 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c(F)cc1Cl ZINC000841513603 655333958 /nfs/dbraw/zinc/33/39/58/655333958.db2.gz SIHNFFOBJJFORN-OAHLLOKOSA-N 1 0 394.852 1.001 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cn2c(Br)cnc2s1 ZINC000816721877 655334257 /nfs/dbraw/zinc/33/42/57/655334257.db2.gz WRIGPNFKBPOGDB-UHFFFAOYSA-N 1 0 388.335 1.772 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)Nc2cnc(Br)cc2C)CC[N@H+](C)C1 ZINC000841670662 655351881 /nfs/dbraw/zinc/35/18/81/655351881.db2.gz ZPKLNADYDHOWMR-LLVKDONJSA-N 1 0 385.262 1.721 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)Nc2ccc(C)c(Br)n2)CC[N@H+](C)C1 ZINC000841709247 655352546 /nfs/dbraw/zinc/35/25/46/655352546.db2.gz GBZIEZBJTXKBQK-LLVKDONJSA-N 1 0 385.262 1.721 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc1Cl ZINC000817490563 655352806 /nfs/dbraw/zinc/35/28/06/655352806.db2.gz GYWXUPHABODELI-CYBMUJFWSA-N 1 0 389.905 1.688 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NC[C@@H](O)c1ccccc1Br ZINC000841920538 655354717 /nfs/dbraw/zinc/35/47/17/655354717.db2.gz WDQIBUZJAALZGD-OAHLLOKOSA-N 1 0 385.306 1.077 20 0 GDADRO O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)NCC(=O)N1CC[NH2+]CC1 ZINC000841919759 655354777 /nfs/dbraw/zinc/35/47/77/655354777.db2.gz KPZTUVGDFQFHKA-AWEZNQCLSA-N 1 0 389.283 1.148 20 0 GDADRO CC1=C(Br)CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000841993230 655355011 /nfs/dbraw/zinc/35/50/11/655355011.db2.gz UUWRQSJVHCVEHF-LBPRGKRZSA-N 1 0 399.255 1.907 20 0 GDADRO CCCN(C(=O)C(=O)NCCSCc1ccnc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000842019966 655355312 /nfs/dbraw/zinc/35/53/12/655355312.db2.gz BBBIXQAKWIPZII-CQSZACIVSA-N 1 0 384.933 1.685 20 0 GDADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]2CSCCS2)cc1 ZINC000842128131 655357118 /nfs/dbraw/zinc/35/71/18/655357118.db2.gz ZBBVADDTENBMTP-HZPDHXFCSA-N 1 0 381.567 1.891 20 0 GDADRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000842207375 655358658 /nfs/dbraw/zinc/35/86/58/655358658.db2.gz QSJATVWJIOVAMF-SNVBAGLBSA-N 1 0 377.894 1.990 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2F)C1 ZINC000842213435 655359171 /nfs/dbraw/zinc/35/91/71/655359171.db2.gz AJQZVYYGWCBDNB-ZYHUDNBSSA-N 1 0 386.265 1.443 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000842251135 655360293 /nfs/dbraw/zinc/36/02/93/655360293.db2.gz NKOJHAMYELGRCY-LSDHHAIUSA-N 1 0 398.301 1.449 20 0 GDADRO O=C(NCc1ccc(Br)cc1F)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000842275640 655360863 /nfs/dbraw/zinc/36/08/63/655360863.db2.gz FXDKXZJIUULQFK-MPKXVKKWSA-N 1 0 398.276 1.709 20 0 GDADRO [NH3+][C@H](CC1CCCCC1)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817955538 655362950 /nfs/dbraw/zinc/36/29/50/655362950.db2.gz YDOCCTCXLXAEKL-CYBMUJFWSA-N 1 0 385.452 1.714 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](O)c2ccccc2Br)C1 ZINC000817994256 655363940 /nfs/dbraw/zinc/36/39/40/655363940.db2.gz MZRSFRNLVLVJKZ-YWPYICTPSA-N 1 0 398.301 1.137 20 0 GDADRO CN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000818004170 655364209 /nfs/dbraw/zinc/36/42/09/655364209.db2.gz HBTPRLLLYUWYJZ-INIZCTEOSA-N 1 0 385.917 1.934 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c(Cl)s1 ZINC000842480490 655366910 /nfs/dbraw/zinc/36/69/10/655366910.db2.gz XTMFYQASUXZAER-DTWKUNHWSA-N 1 0 384.932 1.178 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842481730 655367291 /nfs/dbraw/zinc/36/72/91/655367291.db2.gz OSZHZYNQVJPEGT-LLVKDONJSA-N 1 0 388.433 1.632 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000842482884 655367589 /nfs/dbraw/zinc/36/75/89/655367589.db2.gz DJZQOISOFYGHBJ-RYUDHWBXSA-N 1 0 387.889 1.817 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1F ZINC000842485333 655368063 /nfs/dbraw/zinc/36/80/63/655368063.db2.gz MKOSYCYVHWFVQG-OAHLLOKOSA-N 1 0 391.490 1.104 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1Cl ZINC000842485698 655368151 /nfs/dbraw/zinc/36/81/51/655368151.db2.gz QDUMUQYAZZABRD-OAHLLOKOSA-N 1 0 375.853 1.954 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1Br ZINC000842509788 655368569 /nfs/dbraw/zinc/36/85/69/655368569.db2.gz MUHIUWRJUXPRJV-NSHDSACASA-N 1 0 391.287 1.042 20 0 GDADRO O=C(c1ccc2ncc(I)n2c1)N1CCC2(CC[NH2+]2)CC1 ZINC000842512509 655368613 /nfs/dbraw/zinc/36/86/13/655368613.db2.gz PMZAAQDXPAUUSS-UHFFFAOYSA-N 1 0 396.232 1.907 20 0 GDADRO CC(C)(C[NH3+])NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000842707234 655372572 /nfs/dbraw/zinc/37/25/72/655372572.db2.gz LTXCGNFKMAQCSL-UHFFFAOYSA-N 1 0 381.683 1.766 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)s1 ZINC000842711490 655372816 /nfs/dbraw/zinc/37/28/16/655372816.db2.gz FVBFOMSVHMBDTN-ZETCQYMHSA-N 1 0 383.289 1.280 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)[C@@H]1C[NH3+] ZINC000842723157 655373655 /nfs/dbraw/zinc/37/36/55/655373655.db2.gz ZFKSXANEDOXIFI-GXFFZTMASA-N 1 0 380.919 1.491 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C2CCC([NH3+])CC2)s1 ZINC000818528965 655376205 /nfs/dbraw/zinc/37/62/05/655376205.db2.gz PHQVLJUKTIXNAH-YMAMQOFZSA-N 1 0 385.555 1.938 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000818589804 655376761 /nfs/dbraw/zinc/37/67/61/655376761.db2.gz GTXOFKYVFVXOSH-ISTVAULSSA-N 1 0 389.315 1.969 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(COC)CC[NH2+]CC2)c1 ZINC000818591589 655376886 /nfs/dbraw/zinc/37/68/86/655376886.db2.gz SSMGDUZPGBUDFN-UHFFFAOYSA-N 1 0 388.917 1.880 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842790325 655377153 /nfs/dbraw/zinc/37/71/53/655377153.db2.gz GANFAKWEDHKFIM-VHSXEESVSA-N 1 0 386.417 1.338 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000842793500 655377541 /nfs/dbraw/zinc/37/75/41/655377541.db2.gz LDAPNKDFGXQNGH-GXSJLCMTSA-N 1 0 391.287 1.594 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000842793504 655377544 /nfs/dbraw/zinc/37/75/44/655377544.db2.gz LDAPNKDFGXQNGH-MWLCHTKSSA-N 1 0 391.287 1.594 20 0 GDADRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000818614868 655377574 /nfs/dbraw/zinc/37/75/74/655377574.db2.gz HWROOWHBMXSAIT-APHBMKBZSA-N 1 0 389.543 1.333 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000842798313 655377872 /nfs/dbraw/zinc/37/78/72/655377872.db2.gz PLZBBDVIFXOXJX-MFKMUULPSA-N 1 0 379.404 1.935 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000842812703 655378805 /nfs/dbraw/zinc/37/88/05/655378805.db2.gz JDBURTVMNKZQTK-MWLCHTKSSA-N 1 0 391.287 1.655 20 0 GDADRO CCC[NH2+]CCNS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 ZINC000842821273 655379442 /nfs/dbraw/zinc/37/94/42/655379442.db2.gz XTVJCHRTWFQNGM-UHFFFAOYSA-N 1 0 379.276 1.514 20 0 GDADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842822571 655379606 /nfs/dbraw/zinc/37/96/06/655379606.db2.gz YLBFVYLWSYKYJO-SNVBAGLBSA-N 1 0 386.417 1.353 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c(F)cc1Br ZINC000842882636 655382499 /nfs/dbraw/zinc/38/24/99/655382499.db2.gz RRSKHEJHQJNRNV-NKWVEPMBSA-N 1 0 383.239 1.389 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000818976377 655382594 /nfs/dbraw/zinc/38/25/94/655382594.db2.gz BRULLOWRZOPBLI-UONOGXRCSA-N 1 0 377.304 1.496 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC000842895561 655383496 /nfs/dbraw/zinc/38/34/96/655383496.db2.gz XSTKOAYSWNYHQX-GFCCVEGCSA-N 1 0 397.241 1.927 20 0 GDADRO CS(=O)(=O)CCN1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819048570 655383818 /nfs/dbraw/zinc/38/38/18/655383818.db2.gz LBDZQFGQGOUSEO-INIZCTEOSA-N 1 0 378.897 1.611 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccccc1Cl)NC[C@H]1CCCCO1 ZINC000819053360 655384097 /nfs/dbraw/zinc/38/40/97/655384097.db2.gz IRLHJJWKFGLPFS-CJNGLKHVSA-N 1 0 376.906 1.452 20 0 GDADRO O[C@H](C[NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccccc1Br ZINC000819077863 655384705 /nfs/dbraw/zinc/38/47/05/655384705.db2.gz PMJNGOCRGGIVPX-MAUKXSAKSA-N 1 0 398.345 1.479 20 0 GDADRO C[S@](=O)c1ccc(C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)cc1 ZINC000819137907 655386924 /nfs/dbraw/zinc/38/69/24/655386924.db2.gz KGSILDBLJLSWSO-QHCPKHFHSA-N 1 0 375.512 1.270 20 0 GDADRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cnc(Cl)c1Br ZINC000843049235 655387517 /nfs/dbraw/zinc/38/75/17/655387517.db2.gz HWYRUYMJCXFTLI-RQJHMYQMSA-N 1 0 377.670 1.986 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819187452 655387937 /nfs/dbraw/zinc/38/79/37/655387937.db2.gz KPVUJZKQNMANJA-RISCZKNCSA-N 1 0 377.304 1.354 20 0 GDADRO [NH3+]CCc1noc(CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000843130456 655389107 /nfs/dbraw/zinc/38/91/07/655389107.db2.gz BAPQMDNWSWCTNN-NSHDSACASA-N 1 0 384.223 1.935 20 0 GDADRO C[C@H]1CCCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)[C@H]1C[NH3+] ZINC000843353091 655393510 /nfs/dbraw/zinc/39/35/10/655393510.db2.gz BSPFCOCVJYTVTL-AAEUAGOBSA-N 1 0 375.441 1.681 20 0 GDADRO O=C(CN1CC[NH2+]C[C@@H]1C(F)F)Nc1ccccc1S(=O)(=O)C(F)F ZINC000843385311 655394121 /nfs/dbraw/zinc/39/41/21/655394121.db2.gz JJPQCLLIUPTHJA-SNVBAGLBSA-N 1 0 383.367 1.160 20 0 GDADRO C[C@H]1C[C@H]([NH2+]CCCN2CCCS2(=O)=O)CN(C(=O)OC(C)(C)C)C1 ZINC000843399537 655394322 /nfs/dbraw/zinc/39/43/22/655394322.db2.gz KSYYVLBXABOCQE-GJZGRUSLSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@H](CC(=O)NCC1(C)CC[NH2+]CC1)NS(=O)(=O)c1cccnc1Cl ZINC000843454310 655395286 /nfs/dbraw/zinc/39/52/86/655395286.db2.gz QTDWHMGEHRRBKF-GFCCVEGCSA-N 1 0 388.921 1.298 20 0 GDADRO C[C@@H](CC(=O)N1CCC[C@@H](CC[NH3+])C1)NS(=O)(=O)c1cccnc1Cl ZINC000843473378 655396060 /nfs/dbraw/zinc/39/60/60/655396060.db2.gz JTBVGNKHAIQPIW-STQMWFEESA-N 1 0 388.921 1.379 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C1 ZINC000843473721 655396074 /nfs/dbraw/zinc/39/60/74/655396074.db2.gz KSWHXAIRLKWMRK-MRXNPFEDSA-N 1 0 380.495 1.109 20 0 GDADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000819838237 655396386 /nfs/dbraw/zinc/39/63/86/655396386.db2.gz XNHBQXAYSRDNGZ-NSHDSACASA-N 1 0 394.269 1.889 20 0 GDADRO [NH3+]CCCCCCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000843509030 655397287 /nfs/dbraw/zinc/39/72/87/655397287.db2.gz CWJQSZZXYJUDSL-UHFFFAOYSA-N 1 0 381.274 1.794 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000844039305 655405691 /nfs/dbraw/zinc/40/56/91/655405691.db2.gz PXWFDKZHYMNJCU-NHYWBVRUSA-N 1 0 396.285 1.331 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CSc1nc2ccccc2s1 ZINC000844041380 655405830 /nfs/dbraw/zinc/40/58/30/655405830.db2.gz RIPGIPXWYOPESL-GFCCVEGCSA-N 1 0 378.523 1.967 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000844181971 655408390 /nfs/dbraw/zinc/40/83/90/655408390.db2.gz XEYIPMXSUGGLFB-GDBMZVCRSA-N 1 0 382.302 1.913 20 0 GDADRO C[C@@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844403483 655410151 /nfs/dbraw/zinc/41/01/51/655410151.db2.gz WSARJVZELYLCAI-HUUCEWRRSA-N 1 0 377.551 1.893 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1Cl ZINC000820504456 655410951 /nfs/dbraw/zinc/41/09/51/655410951.db2.gz WWHAFEBULNJKMF-FZMZJTMJSA-N 1 0 389.905 1.687 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2c(Cl)nccc2C(F)(F)F)CC1=O ZINC000844762746 655414597 /nfs/dbraw/zinc/41/45/97/655414597.db2.gz ZKUZPTZDQJRVMS-UHFFFAOYSA-N 1 0 378.782 1.600 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(Cl)ncc2Cl)CC1=O ZINC000820852914 655418117 /nfs/dbraw/zinc/41/81/17/655418117.db2.gz PFKLJGUVXBUOGP-LLVKDONJSA-N 1 0 389.283 1.297 20 0 GDADRO COc1nc(C)c(Br)cc1-c1noc([C@]23C[NH2+]C[C@H]2COC3)n1 ZINC000844916481 655421008 /nfs/dbraw/zinc/42/10/08/655421008.db2.gz FOXRCRZYOSYDTR-VFZGTOFNSA-N 1 0 381.230 1.699 20 0 GDADRO Nc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc(Br)n1 ZINC000821043290 655421174 /nfs/dbraw/zinc/42/11/74/655421174.db2.gz RBPUONGYIBOPJI-ZIAGYGMSSA-N 1 0 397.317 1.924 20 0 GDADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)NCC[NH+]1CCC(O)CC1 ZINC000821862343 655436192 /nfs/dbraw/zinc/43/61/92/655436192.db2.gz CYFXSDFYRWUEHM-ZDUSSCGKSA-N 1 0 396.285 1.448 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)[C@H]1CC[NH3+] ZINC000846229837 655450173 /nfs/dbraw/zinc/45/01/73/655450173.db2.gz AIRGEKZNNYUANO-RYUDHWBXSA-N 1 0 396.481 1.821 20 0 GDADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000846233313 655450437 /nfs/dbraw/zinc/45/04/37/655450437.db2.gz GFSGGUKHNNFQJS-UHFFFAOYSA-N 1 0 383.857 1.720 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(Cl)n2)CC1=O ZINC000846366200 655452773 /nfs/dbraw/zinc/45/27/73/655452773.db2.gz ZXYQGZWGHHMAEP-UHFFFAOYSA-N 1 0 378.782 1.600 20 0 GDADRO Ic1cnc2ccc(-c3noc([C@H]4C[NH2+]CCO4)n3)cn12 ZINC000823116192 655456814 /nfs/dbraw/zinc/45/68/14/655456814.db2.gz RBFUKMRXJRQSIA-SECBINFHSA-N 1 0 397.176 1.650 20 0 GDADRO C[NH+]1CCC(ONC(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000846647837 655458347 /nfs/dbraw/zinc/45/83/47/655458347.db2.gz QSJUILDBAWHYPT-UHFFFAOYSA-N 1 0 384.234 1.438 20 0 GDADRO CC(=O)N[C@H](Cc1nc(N2CC[NH2+]CC2)no1)c1ccc(Br)cc1 ZINC000823321332 655460348 /nfs/dbraw/zinc/46/03/48/655460348.db2.gz ZDXOKCZNVGALSF-CQSZACIVSA-N 1 0 394.273 1.662 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN1CCC(O)(c2scnc2Br)CC1 ZINC000846889254 655461823 /nfs/dbraw/zinc/46/18/23/655461823.db2.gz ATHDRGOAHTUCMQ-NSHDSACASA-N 1 0 378.336 1.502 20 0 GDADRO C[N@@H+]1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1(C)C ZINC000846893751 655461913 /nfs/dbraw/zinc/46/19/13/655461913.db2.gz ZBTWTFBBQQMVFX-UHFFFAOYSA-N 1 0 375.441 1.647 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823649153 655466348 /nfs/dbraw/zinc/46/63/48/655466348.db2.gz GAXBPDQBUNKMOK-YOEHRIQHSA-N 1 0 375.535 1.505 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847313373 655467717 /nfs/dbraw/zinc/46/77/17/655467717.db2.gz CCBOJTFTKFSXQM-UONOGXRCSA-N 1 0 386.265 1.591 20 0 GDADRO Brc1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823826697 655468654 /nfs/dbraw/zinc/46/86/54/655468654.db2.gz NJNHSLJNKZNXOC-GFCCVEGCSA-N 1 0 379.262 1.540 20 0 GDADRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1(C)C ZINC000824086808 655471450 /nfs/dbraw/zinc/47/14/50/655471450.db2.gz PFOPTKXFOUMTDT-RYUDHWBXSA-N 1 0 377.869 1.585 20 0 GDADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1(C)C ZINC000824086809 655471480 /nfs/dbraw/zinc/47/14/80/655471480.db2.gz PFOPTKXFOUMTDT-VXGBXAGGSA-N 1 0 377.869 1.585 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000824516373 655476769 /nfs/dbraw/zinc/47/67/69/655476769.db2.gz SGVHPWNIKCXEST-JTQLQIEISA-N 1 0 383.909 1.564 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000825202543 655485671 /nfs/dbraw/zinc/48/56/71/655485671.db2.gz RMJWALGDGHIULZ-NSHDSACASA-N 1 0 387.811 1.600 20 0 GDADRO CC[NH+](CC)CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O ZINC000825254991 655486681 /nfs/dbraw/zinc/48/66/81/655486681.db2.gz HKCXKBCSVXWLSH-DOMZBBRYSA-N 1 0 392.905 1.253 20 0 GDADRO C[NH+]1CCC2(CCN(C(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)CC1 ZINC000825251523 655486730 /nfs/dbraw/zinc/48/67/30/655486730.db2.gz ZYETTZBZEHFSNN-QWHCGFSZSA-N 1 0 382.448 1.544 20 0 GDADRO O=C(/C=C/c1ccc(I)o1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848309752 655487058 /nfs/dbraw/zinc/48/70/58/655487058.db2.gz RQIOQOWBYBRVIF-OVXAFGJRSA-N 1 0 388.205 1.175 20 0 GDADRO CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000825329549 655487917 /nfs/dbraw/zinc/48/79/17/655487917.db2.gz XRBAPKFXJODFBG-KBPBESRZSA-N 1 0 384.464 1.836 20 0 GDADRO Cn1nc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cc1Br ZINC000825568739 655491134 /nfs/dbraw/zinc/49/11/34/655491134.db2.gz YGRFXOPPVRPCJE-UHFFFAOYSA-N 1 0 389.294 1.528 20 0 GDADRO Cc1n[nH]c(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1Br ZINC000825633254 655492033 /nfs/dbraw/zinc/49/20/33/655492033.db2.gz RCJRGGRJYAYVEV-NEPJUHHUSA-N 1 0 398.305 1.201 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cnn(C)c2I)C1 ZINC000825670468 655492367 /nfs/dbraw/zinc/49/23/67/655492367.db2.gz OYDDBQRZKOTFHQ-JTQLQIEISA-N 1 0 376.242 1.627 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000825891573 655494477 /nfs/dbraw/zinc/49/44/77/655494477.db2.gz LJWPFUFIPFJXJY-CYBMUJFWSA-N 1 0 398.349 1.595 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C)CC1(Br)Br ZINC000826712618 655500472 /nfs/dbraw/zinc/50/04/72/655500472.db2.gz KRHXSJURQHWPHR-JQWIXIFHSA-N 1 0 397.155 1.635 20 0 GDADRO C[NH+]1CCN(c2cc(C(=O)NCc3ccc(Br)cn3)ccn2)CC1 ZINC000826827591 655501707 /nfs/dbraw/zinc/50/17/07/655501707.db2.gz RRVFVMYDDBDCPF-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cnn2cccc(Br)c12 ZINC000827094162 655505604 /nfs/dbraw/zinc/50/56/04/655505604.db2.gz ZHDLDMSNASPHCU-ZDUSSCGKSA-N 1 0 394.273 1.166 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1nc(Br)c2ccccn21 ZINC000827093489 655505622 /nfs/dbraw/zinc/50/56/22/655505622.db2.gz UASJXAULUUUPOK-LBPRGKRZSA-N 1 0 394.273 1.166 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c(cc3Br)NC(=O)CO4)CC[C@H]21 ZINC000827287797 655508713 /nfs/dbraw/zinc/50/87/13/655508713.db2.gz LPLUIUONHUSHTB-IINYFYTJSA-N 1 0 394.269 1.946 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c(Br)nc2n1CCC2 ZINC000827350905 655509433 /nfs/dbraw/zinc/50/94/33/655509433.db2.gz YFQDULRVKSLMBJ-GFCCVEGCSA-N 1 0 385.306 1.559 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827367469 655509918 /nfs/dbraw/zinc/50/99/18/655509918.db2.gz WEEDQLHSJVIPPI-WOSRLPQWSA-N 1 0 385.917 1.559 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1=O ZINC000827409742 655510722 /nfs/dbraw/zinc/51/07/22/655510722.db2.gz IJWPYAVRRHRAIW-UHFFFAOYSA-N 1 0 398.301 1.475 20 0 GDADRO CC(=O)N1CCO[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000827460160 655511696 /nfs/dbraw/zinc/51/16/96/655511696.db2.gz VRCLTSQXAJFAMP-HOTGVXAUSA-N 1 0 388.295 1.960 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2csc(I)n2)CCOCC1 ZINC000827762841 655515988 /nfs/dbraw/zinc/51/59/88/655515988.db2.gz VXEVMCCNKNMLAK-UHFFFAOYSA-N 1 0 395.266 1.588 20 0 GDADRO COc1ccc(CNC(=[NH2+])NCc2ccc(S(C)(=O)=O)s2)cc1OC ZINC000849088486 655517267 /nfs/dbraw/zinc/51/72/67/655517267.db2.gz MIZYLMQWCGHXJL-UHFFFAOYSA-N 1 0 383.495 1.983 20 0 GDADRO COC[C@@H](C)NC(=[NH2+])NC[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000849115052 655517477 /nfs/dbraw/zinc/51/74/77/655517477.db2.gz CSXOZWQMYOSOIY-DGCLKSJQSA-N 1 0 388.306 1.758 20 0 GDADRO CC[NH+]1CCN(CCC(=O)N[C@H]2COc3cccc(Br)c3C2)CC1 ZINC000828033406 655518656 /nfs/dbraw/zinc/51/86/56/655518656.db2.gz LMCFEPASBZLOMY-CQSZACIVSA-N 1 0 396.329 1.896 20 0 GDADRO CO[C@H](CS(=O)(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000849371215 655522992 /nfs/dbraw/zinc/52/29/92/655522992.db2.gz RXKGCBRUFSTJEJ-KZNAEPCWSA-N 1 0 376.563 1.714 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1F ZINC000849419498 655531208 /nfs/dbraw/zinc/53/12/08/655531208.db2.gz OBXZVUQVMQKCRK-JTQLQIEISA-N 1 0 376.425 1.903 20 0 GDADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Br)c[nH]c2=O)cn1 ZINC000849510178 655542352 /nfs/dbraw/zinc/54/23/52/655542352.db2.gz OSCARNFJGGWHNL-CHWSQXEVSA-N 1 0 394.273 1.957 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cc(Br)no2)cn1 ZINC000849598691 655542699 /nfs/dbraw/zinc/54/26/99/655542699.db2.gz FFEIZEARSSETII-STQMWFEESA-N 1 0 382.262 1.522 20 0 GDADRO Cn1ncc(C(F)(F)F)c1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000850184845 655551062 /nfs/dbraw/zinc/55/10/62/655551062.db2.gz YNTMHEZMFWYSJZ-UHFFFAOYSA-N 1 0 394.341 1.843 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](CO)CC1CC1 ZINC000850386867 655553993 /nfs/dbraw/zinc/55/39/93/655553993.db2.gz QUAXIFZUNNWGNC-KGLIPLIRSA-N 1 0 375.922 1.703 20 0 GDADRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850517939 655557141 /nfs/dbraw/zinc/55/71/41/655557141.db2.gz ADZGUYGVIUFANN-UKRRQHHQSA-N 1 0 379.448 1.859 20 0 GDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850519103 655557230 /nfs/dbraw/zinc/55/72/30/655557230.db2.gz HMHPEPAJEKBWNJ-JTQLQIEISA-N 1 0 388.433 1.222 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cnc1Cl ZINC000850588523 655559284 /nfs/dbraw/zinc/55/92/84/655559284.db2.gz JTHJMMHKLYAFQB-DZGCQCFKSA-N 1 0 389.905 1.651 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000850591735 655559518 /nfs/dbraw/zinc/55/95/18/655559518.db2.gz FETVTDOWUWPBKX-ZDUSSCGKSA-N 1 0 385.917 1.995 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)ccc1Br ZINC000850592551 655559745 /nfs/dbraw/zinc/55/97/45/655559745.db2.gz OUKLJWVINUNODT-UHFFFAOYSA-N 1 0 389.271 1.266 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000850593281 655559882 /nfs/dbraw/zinc/55/98/82/655559882.db2.gz ZTQRLDHMKXTWSB-UHFFFAOYSA-N 1 0 379.251 1.627 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N[C@H](C)C[NH2+]C)c1 ZINC000850593676 655559907 /nfs/dbraw/zinc/55/99/07/655559907.db2.gz CGZGBSCWZIBPFD-SNVBAGLBSA-N 1 0 393.303 1.820 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000851681706 655590498 /nfs/dbraw/zinc/59/04/98/655590498.db2.gz QPEDGDWYGADFAV-SECBINFHSA-N 1 0 377.308 1.507 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000851814004 655596372 /nfs/dbraw/zinc/59/63/72/655596372.db2.gz XONBIFKKPOGMFM-LLVKDONJSA-N 1 0 375.878 1.626 20 0 GDADRO CCCCCC[C@@](O)(C[NH+]1CCC(N(C)S(C)(=O)=O)CC1)C(=O)OC ZINC000851826734 655597450 /nfs/dbraw/zinc/59/74/50/655597450.db2.gz WBAXBIXIHCHVAX-QGZVFWFLSA-N 1 0 378.535 1.217 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(Cc2c(C)noc2C)CC1 ZINC000851827070 655597605 /nfs/dbraw/zinc/59/76/05/655597605.db2.gz AGYUHHRIQBYHQK-MRXNPFEDSA-N 1 0 375.406 1.994 20 0 GDADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000851853549 655599890 /nfs/dbraw/zinc/59/98/90/655599890.db2.gz WPTSNEPJVKBBGD-ZDUSSCGKSA-N 1 0 384.889 1.207 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000851862153 655600642 /nfs/dbraw/zinc/60/06/42/655600642.db2.gz WFZPAHSDEOUVAS-CABCVRRESA-N 1 0 375.406 1.750 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000851862156 655600663 /nfs/dbraw/zinc/60/06/63/655600663.db2.gz WFZPAHSDEOUVAS-LSDHHAIUSA-N 1 0 375.406 1.750 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901445 655626132 /nfs/dbraw/zinc/62/61/32/655626132.db2.gz IMCRHRXIJVFLOF-UMNHJUIQSA-N 1 0 397.155 1.620 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000851886806 655602420 /nfs/dbraw/zinc/60/24/20/655602420.db2.gz SJJPVNQEFSVXIV-PMPSAXMXSA-N 1 0 375.406 1.893 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)N1CCn2ncc(Br)c2C1 ZINC000851981037 655604948 /nfs/dbraw/zinc/60/49/48/655604948.db2.gz OSVFXCJFMRNITJ-UHFFFAOYSA-N 1 0 386.294 1.283 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000852017964 655605885 /nfs/dbraw/zinc/60/58/85/655605885.db2.gz ICLIDJLWZQCMBR-MRLBHPIUSA-N 1 0 379.390 1.754 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852093012 655607715 /nfs/dbraw/zinc/60/77/15/655607715.db2.gz ZFOPQVUHTKXFIS-DOMZBBRYSA-N 1 0 375.300 1.572 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000852151740 655608976 /nfs/dbraw/zinc/60/89/76/655608976.db2.gz LXFZRRIUGGRRCO-JSGCOSHPSA-N 1 0 391.430 1.874 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(CO)([NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000852172892 655609507 /nfs/dbraw/zinc/60/95/07/655609507.db2.gz CPRVIMGVKVLNPU-AWEZNQCLSA-N 1 0 376.519 1.163 20 0 GDADRO COCC[NH+]1CCC(NC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000852187605 655609799 /nfs/dbraw/zinc/60/97/99/655609799.db2.gz PPHQDGOZASAVIS-UHFFFAOYSA-N 1 0 386.294 1.282 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C1 ZINC000852224100 655610635 /nfs/dbraw/zinc/61/06/35/655610635.db2.gz ZXWBYHYQKQGVNH-VOAKCMCISA-N 1 0 385.452 1.476 20 0 GDADRO COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337574 655612802 /nfs/dbraw/zinc/61/28/02/655612802.db2.gz UWGDIERKAGWPEN-MIMYLULJSA-N 1 0 385.096 1.738 20 0 GDADRO OC1(C[NH+]2CCC(n3nncc3I)CC2)CCOCC1 ZINC000852533044 655617633 /nfs/dbraw/zinc/61/76/33/655617633.db2.gz RVDMOUDKKYUNGD-UHFFFAOYSA-N 1 0 392.241 1.061 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)CC[C@H]1F ZINC000852739185 655621769 /nfs/dbraw/zinc/62/17/69/655621769.db2.gz OCFOFZBPPOCEAX-MGPQQGTHSA-N 1 0 379.498 1.205 20 0 GDADRO CC(C)(C[NH3+])NC(=O)c1cnn(-c2ccccc2)c1I ZINC000852796779 655622683 /nfs/dbraw/zinc/62/26/83/655622683.db2.gz XVYQPPPXNFYZCD-UHFFFAOYSA-N 1 0 384.221 1.944 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)c1cnn(-c2ccccc2)c1I ZINC000852795242 655622731 /nfs/dbraw/zinc/62/27/31/655622731.db2.gz GDYCSPNKKQVSFN-NSHDSACASA-N 1 0 396.232 1.959 20 0 GDADRO [NH3+]C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1I)C1CC1 ZINC000852799326 655622922 /nfs/dbraw/zinc/62/29/22/655622922.db2.gz RONKRDWOBNCYDZ-CYBMUJFWSA-N 1 0 396.232 1.944 20 0 GDADRO O=C(C=C1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000852804671 655623018 /nfs/dbraw/zinc/62/30/18/655623018.db2.gz VGRBOKAFUGNZQQ-UHFFFAOYSA-N 1 0 389.930 1.544 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000852849257 655623987 /nfs/dbraw/zinc/62/39/87/655623987.db2.gz ANXGRVYTGHSLPC-HUXQLNKYSA-N 1 0 383.539 1.177 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCC23CC(C2)C[NH2+]3)ccc1Cl ZINC000852867615 655624549 /nfs/dbraw/zinc/62/45/49/655624549.db2.gz YMHNUKTXMPLYCU-UHFFFAOYSA-N 1 0 385.917 1.899 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000852891665 655625395 /nfs/dbraw/zinc/62/53/95/655625395.db2.gz VKKVOAZXFVKQLW-LLVKDONJSA-N 1 0 382.266 1.019 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)nn1C ZINC000852899236 655625817 /nfs/dbraw/zinc/62/58/17/655625817.db2.gz FDHJNQZMNLGDHZ-UHFFFAOYSA-N 1 0 376.360 1.733 20 0 GDADRO C[C@]12CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])C[C@H]1C2(Br)Br ZINC000852901904 655626276 /nfs/dbraw/zinc/62/62/76/655626276.db2.gz VHJUUISJKRGIMY-BFLSOPEQSA-N 1 0 396.123 1.705 20 0 GDADRO O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000852906901 655627445 /nfs/dbraw/zinc/62/74/45/655627445.db2.gz WUTAUCZEZQMDRR-JYJNAYRXSA-N 1 0 386.514 1.308 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])NS(=O)(=O)c1cccnc1Cl ZINC000852912163 655628180 /nfs/dbraw/zinc/62/81/80/655628180.db2.gz NQLQFRJNIPUHFP-UPJWGTAASA-N 1 0 388.921 1.378 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000852917609 655628297 /nfs/dbraw/zinc/62/82/97/655628297.db2.gz NUYFJQRJNZDUEI-SSDOTTSWSA-N 1 0 384.321 1.261 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c(F)cc1Br ZINC000853083630 655632493 /nfs/dbraw/zinc/63/24/93/655632493.db2.gz YIDQQJVDJMKWAC-ZDUSSCGKSA-N 1 0 395.250 1.405 20 0 GDADRO COc1ncc(Br)cc1CONC(=[NH2+])[C@H]1CN(C(C)C)CCO1 ZINC000853685413 655647405 /nfs/dbraw/zinc/64/74/05/655647405.db2.gz IFHHQNSZZRIOSZ-CYBMUJFWSA-N 1 0 387.278 1.960 20 0 GDADRO C[NH+]1CCN(c2cccc(C(=O)NCc3cnc(Br)s3)n2)CC1 ZINC000854356559 655663998 /nfs/dbraw/zinc/66/39/98/655663998.db2.gz QDNZEVYRBYCQSX-UHFFFAOYSA-N 1 0 396.314 1.982 20 0 GDADRO C[C@]1(C(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1(Br)Br ZINC000854413138 655665940 /nfs/dbraw/zinc/66/59/40/655665940.db2.gz NJDMLUAVCSCIBP-CMPLNLGQSA-N 1 0 398.139 1.846 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)sc1S(N)(=O)=O ZINC000854734862 655675453 /nfs/dbraw/zinc/67/54/53/655675453.db2.gz FFGGIDRWGZHLIE-HNNXBMFYSA-N 1 0 391.946 1.915 20 0 GDADRO Cn1ncc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1Br ZINC000855404850 655693169 /nfs/dbraw/zinc/69/31/69/655693169.db2.gz XRAZHKQXPAZJKJ-CQSZACIVSA-N 1 0 393.285 1.679 20 0 GDADRO C[C@@H](CCNC(=O)c1cc(S(N)(=O)=O)ccc1Br)[NH+](C)C ZINC000855413491 655693729 /nfs/dbraw/zinc/69/37/29/655693729.db2.gz MBYDUWGFOZNLNQ-VIFPVBQESA-N 1 0 378.292 1.167 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000855639192 655698594 /nfs/dbraw/zinc/69/85/94/655698594.db2.gz DRDDHCMZRDWYSU-UHFFFAOYSA-N 1 0 378.523 1.948 20 0 GDADRO Cc1c(Br)cccc1CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000855699095 655699995 /nfs/dbraw/zinc/69/99/95/655699995.db2.gz XATCEAARGNKMDC-UHFFFAOYSA-N 1 0 384.318 1.778 20 0 GDADRO CC[C@H](C(=O)N1CCC(n2nncc2I)CC1)[NH+](C)C ZINC000855830252 655702742 /nfs/dbraw/zinc/70/27/42/655702742.db2.gz YNDMCVYFZDMQFH-LLVKDONJSA-N 1 0 391.257 1.386 20 0 GDADRO CC[C@@H](C(=O)N1CCC(n2nncc2I)CC1)[NH+](C)C ZINC000855830253 655702782 /nfs/dbraw/zinc/70/27/82/655702782.db2.gz YNDMCVYFZDMQFH-NSHDSACASA-N 1 0 391.257 1.386 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000856255930 655711016 /nfs/dbraw/zinc/71/10/16/655711016.db2.gz QVQJBTANSARFCO-ZDUSSCGKSA-N 1 0 386.901 1.415 20 0 GDADRO O=C(c1c(Br)nc2n1CCOC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000856743170 655716284 /nfs/dbraw/zinc/71/62/84/655716284.db2.gz XWBDYKPYTDOTFV-UHFFFAOYSA-N 1 0 392.257 1.533 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856817252 655719632 /nfs/dbraw/zinc/71/96/32/655719632.db2.gz WAXOFBOXEDGSBF-YOEHRIQHSA-N 1 0 375.535 1.695 20 0 GDADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1-n1cnnn1 ZINC000857004581 655725317 /nfs/dbraw/zinc/72/53/17/655725317.db2.gz FAAWINZNXYFEJA-NSHDSACASA-N 1 0 387.188 1.152 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(Br)nc2n1CCOC2 ZINC000857109545 655728056 /nfs/dbraw/zinc/72/80/56/655728056.db2.gz MGYRSIADYALLGM-LLVKDONJSA-N 1 0 387.278 1.016 20 0 GDADRO COC1CC[NH+](CCNC(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000857148161 655729180 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385.873 1.286 20 0 GDADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000858619617 655750742 /nfs/dbraw/zinc/75/07/42/655750742.db2.gz OHZNWQPOOUDIDH-GFCCVEGCSA-N 1 0 398.428 1.543 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000858630543 655751348 /nfs/dbraw/zinc/75/13/48/655751348.db2.gz ZSRIMPJRMGOHFT-UHFFFAOYSA-N 1 0 397.266 1.383 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC[NH+]1CCC1 ZINC000861387298 655820659 /nfs/dbraw/zinc/82/06/59/655820659.db2.gz CDZODDUWOGUIKQ-INIZCTEOSA-N 1 0 386.539 1.644 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1cc2ccccc2nc1Br ZINC000861520912 655824399 /nfs/dbraw/zinc/82/43/99/655824399.db2.gz AYMQUDHWFGJULQ-NSHDSACASA-N 1 0 393.241 1.040 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000861540767 655825414 /nfs/dbraw/zinc/82/54/14/655825414.db2.gz XXXPXYZECBJRFJ-SSDOTTSWSA-N 1 0 395.628 1.689 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861540482 655825416 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C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000861802448 655831077 /nfs/dbraw/zinc/83/10/77/655831077.db2.gz KWDFNNNOVSWSHD-AWEZNQCLSA-N 1 0 377.388 1.420 20 0 GDADRO CCN(C(=O)c1cnn(C)c1I)C1CC[NH+](C)CC1 ZINC000861890028 655832949 /nfs/dbraw/zinc/83/29/49/655832949.db2.gz CTIYIYDCIUWFJS-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cnc(Cl)c(Br)c1 ZINC000862648790 655850805 /nfs/dbraw/zinc/85/08/05/655850805.db2.gz GOMULMWNZZNBNW-NSHDSACASA-N 1 0 389.681 1.567 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000863443934 655873285 /nfs/dbraw/zinc/87/32/85/655873285.db2.gz YBQJDEJEOGJJSI-STQMWFEESA-N 1 0 379.404 1.948 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000863548635 655875446 /nfs/dbraw/zinc/87/54/46/655875446.db2.gz UTKSSOMSRGNBEQ-CYBMUJFWSA-N 1 0 375.441 1.551 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1nc(Br)ccc1Br ZINC000863833106 655882847 /nfs/dbraw/zinc/88/28/47/655882847.db2.gz JHXOJGHKHPQMEI-QMMMGPOBSA-N 1 0 393.079 1.403 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000864071102 655889265 /nfs/dbraw/zinc/88/92/65/655889265.db2.gz YWVSPVHOHPXAMC-GHMZBOCLSA-N 1 0 388.253 1.627 20 0 GDADRO CC(C)n1ncc(C(=O)NCC[NH+]2CCCC2)c1I ZINC000864611822 655903321 /nfs/dbraw/zinc/90/33/21/655903321.db2.gz MQUWLEBSEDBUSX-UHFFFAOYSA-N 1 0 376.242 1.894 20 0 GDADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2CCC(=O)O2)CC1 ZINC000865027659 655910313 /nfs/dbraw/zinc/91/03/13/655910313.db2.gz ZFRXMDGVCULOBM-CQSZACIVSA-N 1 0 382.258 1.845 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)c2cc(I)nn2C)CC1 ZINC000865075316 655911569 /nfs/dbraw/zinc/91/15/69/655911569.db2.gz XDJLJUGOJTWANP-UHFFFAOYSA-N 1 0 390.269 1.877 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cnn(C(C)C)c1I ZINC000865123993 655912769 /nfs/dbraw/zinc/91/27/69/655912769.db2.gz ZTBIRJQYYKVZGS-UHFFFAOYSA-N 1 0 394.257 1.377 20 0 GDADRO COc1ncc(Br)cc1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000865456010 655920133 /nfs/dbraw/zinc/92/01/33/655920133.db2.gz HQPUOPPPKIVVHF-UHFFFAOYSA-N 1 0 399.333 1.885 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000865489906 655920745 /nfs/dbraw/zinc/92/07/45/655920745.db2.gz JLAXIFOEFHEBSR-KFWWJZLASA-N 1 0 375.535 1.693 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000865576307 655922169 /nfs/dbraw/zinc/92/21/69/655922169.db2.gz IPQDSIBNNRMFHJ-LLVKDONJSA-N 1 0 388.253 1.725 20 0 GDADRO O=C1COC[C@@]2(C[NH2+]Cc3cc(Br)c(Cl)s3)COCCN12 ZINC000865796514 655927095 /nfs/dbraw/zinc/92/70/95/655927095.db2.gz WGYUIYYCAOOWGC-CYBMUJFWSA-N 1 0 395.706 1.881 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+]CC(C)(C)CS(N)(=O)=O)cnc12 ZINC000865814345 655927531 /nfs/dbraw/zinc/92/75/31/655927531.db2.gz SEOYHJZRMAZFMP-UHFFFAOYSA-N 1 0 389.319 1.810 20 0 GDADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(I)nn2C)CC[N@@H+]1C ZINC000866049543 655933844 /nfs/dbraw/zinc/93/38/44/655933844.db2.gz PUTNGQIAYGEMAT-NXEZZACHSA-N 1 0 376.242 1.579 20 0 GDADRO C[NH+](C)CCCN(C(=O)CC(F)(F)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000866417175 655941478 /nfs/dbraw/zinc/94/14/78/655941478.db2.gz KQUPHUUZCAXEBM-SNVBAGLBSA-N 1 0 380.379 1.542 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866485901 655946426 /nfs/dbraw/zinc/94/64/26/655946426.db2.gz ZQQWWSPXSVOTIN-UHFFFAOYSA-N 1 0 381.329 1.694 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cnn(C)c1Br)[N@@H+]1CCCC[C@@H]1C ZINC000866492591 655947127 /nfs/dbraw/zinc/94/71/27/655947127.db2.gz QJVBFKGJLCGDMI-QWRGUYRKSA-N 1 0 379.324 1.724 20 0 GDADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cn(C)nc2Br)C1 ZINC000866581524 655950378 /nfs/dbraw/zinc/95/03/78/655950378.db2.gz APVIPDRMOITTJI-NSHDSACASA-N 1 0 393.351 1.971 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@H]1CCC[N@@H+]1C ZINC000866602345 655951388 /nfs/dbraw/zinc/95/13/88/655951388.db2.gz HJVRLKSPABYABN-LLVKDONJSA-N 1 0 377.304 1.971 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866766652 655960671 /nfs/dbraw/zinc/96/06/71/655960671.db2.gz XMXKGUFFJHVMGV-WDEREUQCSA-N 1 0 377.308 1.573 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000866769767 655961085 /nfs/dbraw/zinc/96/10/85/655961085.db2.gz QLJCNDGHIAXJCQ-ZDUSSCGKSA-N 1 0 377.304 1.555 20 0 GDADRO [NH3+]CCC1CCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC1 ZINC000866773786 655961693 /nfs/dbraw/zinc/96/16/93/655961693.db2.gz FISLWMZKFGAYTG-UHFFFAOYSA-N 1 0 379.404 1.937 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c(Br)n1 ZINC000866786904 655963525 /nfs/dbraw/zinc/96/35/25/655963525.db2.gz FZAMSTOCXQXEMR-GFCCVEGCSA-N 1 0 387.303 1.421 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866791536 655963990 /nfs/dbraw/zinc/96/39/90/655963990.db2.gz DOMUCEWRDQYUOP-PHIMTYICSA-N 1 0 375.288 1.724 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)ccc1Cl ZINC000866794155 655964412 /nfs/dbraw/zinc/96/44/12/655964412.db2.gz LRALRQSDYBZVFP-UHFFFAOYSA-N 1 0 378.903 1.388 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000866812004 655966273 /nfs/dbraw/zinc/96/62/73/655966273.db2.gz VXJCLRILXTYNFT-SNVBAGLBSA-N 1 0 379.404 1.854 20 0 GDADRO COC[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000866820196 655966943 /nfs/dbraw/zinc/96/69/43/655966943.db2.gz QADPFFZZUISYGY-ZIAGYGMSSA-N 1 0 393.303 1.044 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1OC ZINC000866822963 655967230 /nfs/dbraw/zinc/96/72/30/655967230.db2.gz FBZHGASTWNQXFF-OLZOCXBDSA-N 1 0 387.889 1.223 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866827964 655967711 /nfs/dbraw/zinc/96/77/11/655967711.db2.gz UGCSVRQBLZJTKQ-ZIAGYGMSSA-N 1 0 392.930 1.400 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000866839947 655968933 /nfs/dbraw/zinc/96/89/33/655968933.db2.gz RJFMVAVQXDPNAQ-HNNXBMFYSA-N 1 0 380.432 1.842 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000866841137 655969108 /nfs/dbraw/zinc/96/91/08/655969108.db2.gz UYTQASILCVUWHZ-XMMPIXPASA-N 1 0 389.543 1.095 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cc2nc(Cl)ncc2s1)N1CC[NH+](C)CC1 ZINC000866857363 655970837 /nfs/dbraw/zinc/97/08/37/655970837.db2.gz FQYCVHRRPFULPI-SNVBAGLBSA-N 1 0 389.934 1.259 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000866866087 655971825 /nfs/dbraw/zinc/97/18/25/655971825.db2.gz KUTAPMKPXBOGCS-ZFWWWQNUSA-N 1 0 375.535 1.455 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)N=[S@](C)(=O)c2ccccc2F)C1 ZINC000866921376 655977477 /nfs/dbraw/zinc/97/74/77/655977477.db2.gz SFWHJVYNGBUQPL-NSCUQIJASA-N 1 0 377.507 1.990 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000866927007 655978346 /nfs/dbraw/zinc/97/83/46/655978346.db2.gz OJKLJZGKYBAROJ-CABCVRRESA-N 1 0 375.535 1.742 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866940910 655979504 /nfs/dbraw/zinc/97/95/04/655979504.db2.gz ZNLHGUIZVMZAAA-LFVRLGFBSA-N 1 0 377.532 1.335 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1Br ZINC000866971949 655983209 /nfs/dbraw/zinc/98/32/09/655983209.db2.gz KNNPGMPZOWEYMI-GHMZBOCLSA-N 1 0 377.308 1.287 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cc(F)ccc2Br)CC1 ZINC000866987603 655984512 /nfs/dbraw/zinc/98/45/12/655984512.db2.gz LPHPKXCNZAFRAO-UHFFFAOYSA-N 1 0 395.294 1.934 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000867107777 655995739 /nfs/dbraw/zinc/99/57/39/655995739.db2.gz CVTXAMNPUJDXOC-CQSZACIVSA-N 1 0 377.304 1.244 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000867128479 655999821 /nfs/dbraw/zinc/99/98/21/655999821.db2.gz QSTUERYWJIHQTK-UHFFFAOYSA-N 1 0 388.921 1.789 20 0 GDADRO O=S(=O)(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc[nH]c1Br ZINC000867210418 656014189 /nfs/dbraw/zinc/01/41/89/656014189.db2.gz VEVLSFBNOLQNKA-CYBMUJFWSA-N 1 0 399.314 1.973 20 0 GDADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cnn(C)c1Br ZINC000867261696 656025192 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O=C(N1CCCC[C@@H]1CNS(=O)(=O)CCC[NH+]1CCCC1)C(F)(F)F ZINC000867451029 656063487 /nfs/dbraw/zinc/06/34/87/656063487.db2.gz ZXKQABHNKRZTDP-CYBMUJFWSA-N 1 0 385.452 1.335 20 0 GDADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)CCO2 ZINC000867453026 656063754 /nfs/dbraw/zinc/06/37/54/656063754.db2.gz KHGCSLHMIVKWNL-DEOSSOPVSA-N 1 0 387.527 1.185 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)Nc2cn3cc(Br)ncc3n2)cn1 ZINC000867473759 656067135 /nfs/dbraw/zinc/06/71/35/656067135.db2.gz MTUWRVFAMCXHEH-UHFFFAOYSA-N 1 0 378.234 1.502 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Br)cn2)[C@@H](C)C1 ZINC000867518149 656075006 /nfs/dbraw/zinc/07/50/06/656075006.db2.gz YCJOHVBKUYOQCS-WFASDCNBSA-N 1 0 397.317 1.649 20 0 GDADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC(N2CCOCC2)CC1 ZINC000867566198 656085224 /nfs/dbraw/zinc/08/52/24/656085224.db2.gz HXRGPZUFEKCYDN-UHFFFAOYSA-N 1 0 380.297 1.874 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000867581444 656088172 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GDADRO CN(C)C(=O)Cn1ccc(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867956673 656135470 /nfs/dbraw/zinc/13/54/70/656135470.db2.gz WHMVHGWTHFJNQM-AWEZNQCLSA-N 1 0 380.246 1.372 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1I ZINC000867970078 656136388 /nfs/dbraw/zinc/13/63/88/656136388.db2.gz XAPZRJFOAZMOOC-ONGXEEELSA-N 1 0 376.242 1.796 20 0 GDADRO COC(=O)C1(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CCOCC1 ZINC000867976193 656136583 /nfs/dbraw/zinc/13/65/83/656136583.db2.gz XCCBQIGLZJLOOL-CYBMUJFWSA-N 1 0 385.258 1.535 20 0 GDADRO O=C(NCc1ccc(Br)cn1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000868167516 656142658 /nfs/dbraw/zinc/14/26/58/656142658.db2.gz RSUJBYKRYFHYFC-UHFFFAOYSA-N 1 0 392.261 1.365 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000868246716 656145960 /nfs/dbraw/zinc/14/59/60/656145960.db2.gz WCOAERDOSLGPAE-JTQLQIEISA-N 1 0 384.274 1.982 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000868249026 656146211 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Cc1cc(Br)cc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000870996456 656259594 /nfs/dbraw/zinc/25/95/94/656259594.db2.gz CMVHAMAKDILJJL-KFWWJZLASA-N 1 0 394.269 1.765 20 0 GDADRO CN1CCCc2ccc(S(=O)(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc21 ZINC000871813416 656282122 /nfs/dbraw/zinc/28/21/22/656282122.db2.gz IKZNYJXPMHTYBJ-JSGCOSHPSA-N 1 0 377.432 1.827 20 0 GDADRO O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1S(=O)(=O)C(F)F ZINC000871816526 656283641 /nfs/dbraw/zinc/28/36/41/656283641.db2.gz GJDOHEWDKRZSCD-OCCSQVGLSA-N 1 0 380.438 1.246 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c1F ZINC000871820418 656283984 /nfs/dbraw/zinc/28/39/84/656283984.db2.gz ORVYJDNKRVKCTP-WFASDCNBSA-N 1 0 376.837 1.829 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCCC(=O)N4)C[C@H]21 ZINC000872005991 656317389 /nfs/dbraw/zinc/31/73/89/656317389.db2.gz HWDGDMMCHMMWST-PBKGOJFUSA-N 1 0 383.901 1.795 20 0 GDADRO O[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)Cn1ccnn1 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377.283 1.548 20 0 GDADRO O[C@@H](C[NH2+][C@@H]1CCOC[C@H]1O)COc1ccc(Cl)cc1Br ZINC000872252379 656321314 /nfs/dbraw/zinc/32/13/14/656321314.db2.gz BEZIBBKBIZVLGS-CYZMBNFOSA-N 1 0 380.666 1.582 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 ZINC000872466174 656335276 /nfs/dbraw/zinc/33/52/76/656335276.db2.gz JUAUHHLMOYQXGU-OAHLLOKOSA-N 1 0 382.448 1.870 20 0 GDADRO O=S(=O)(Cc1ccccc1Br)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872616706 656366400 /nfs/dbraw/zinc/36/64/00/656366400.db2.gz HSLQIHSKQRZQHD-UONOGXRCSA-N 1 0 389.315 1.420 20 0 GDADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000872661883 656371350 /nfs/dbraw/zinc/37/13/50/656371350.db2.gz DMWIQLYPZARDGJ-GJZGRUSLSA-N 1 0 391.490 1.054 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000872663382 656371813 /nfs/dbraw/zinc/37/18/13/656371813.db2.gz DGSGPZLCVKRMTI-CABCVRRESA-N 1 0 385.917 1.865 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCc2ncc(Cl)s2)CC1 ZINC000872853392 656379855 /nfs/dbraw/zinc/37/98/55/656379855.db2.gz ARHBSCVOPCOCIS-UHFFFAOYSA-N 1 0 380.905 1.943 20 0 GDADRO O=C(C[NH2+][C@@H]1CCCS(=O)(=O)CC1)Nc1ccc(Br)cc1 ZINC000873016696 656384076 /nfs/dbraw/zinc/38/40/76/656384076.db2.gz PAQSCEUKHUJSJM-GFCCVEGCSA-N 1 0 375.288 1.945 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000873057857 656385042 /nfs/dbraw/zinc/38/50/42/656385042.db2.gz DQEWQVBNIRVQIA-JSGCOSHPSA-N 1 0 375.874 1.702 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1Br ZINC000873109450 656387329 /nfs/dbraw/zinc/38/73/29/656387329.db2.gz RZFRQCNPVSODSO-MGPLVRAMSA-N 1 0 384.249 1.903 20 0 GDADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873209286 656389809 /nfs/dbraw/zinc/38/98/09/656389809.db2.gz LBRSVZMDURDHGR-INIZCTEOSA-N 1 0 387.571 1.266 20 0 GDADRO CC(C)OCCS(=O)(=O)N1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873208426 656389843 /nfs/dbraw/zinc/38/98/43/656389843.db2.gz VXYFLYMKEYOXDJ-UHFFFAOYSA-N 1 0 387.571 1.266 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2c3c(ccc2Br)OCC3)C1 ZINC000873711255 656405249 /nfs/dbraw/zinc/40/52/49/656405249.db2.gz CHLWDFAWXWFXDJ-LLVKDONJSA-N 1 0 396.285 1.733 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000873731654 656409024 /nfs/dbraw/zinc/40/90/24/656409024.db2.gz HDTGJZFEARGRGH-ZYHUDNBSSA-N 1 0 384.274 1.995 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000873790915 656415911 /nfs/dbraw/zinc/41/59/11/656415911.db2.gz YDCOFEGWOPBVGR-UHFFFAOYSA-N 1 0 379.258 1.956 20 0 GDADRO CCn1c(C[NH2+]CC[C@@H](O)COC)nc(Br)c1Br ZINC000921948560 656430975 /nfs/dbraw/zinc/43/09/75/656430975.db2.gz PYSJCWXBSQWAFN-MRVPVSSYSA-N 1 0 385.100 1.915 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)nc1Br ZINC000873974040 656435088 /nfs/dbraw/zinc/43/50/88/656435088.db2.gz WBOIWBLPWQXFLA-NSHDSACASA-N 1 0 399.289 1.052 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCc4c3cccc4Br)CC[C@@H]21 ZINC000874173623 656448372 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NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)cc1Cl ZINC000922524798 656488446 /nfs/dbraw/zinc/48/84/46/656488446.db2.gz YAYLVWGNULMGBA-KBPBESRZSA-N 1 0 375.947 1.657 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c(I)n1 ZINC000922526753 656488476 /nfs/dbraw/zinc/48/84/76/656488476.db2.gz UIZKEVBVDGKEIY-NWDGAFQWSA-N 1 0 392.310 1.694 20 0 GDADRO CN1CCOC[C@]1(CO)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000922534629 656489904 /nfs/dbraw/zinc/48/99/04/656489904.db2.gz BCATYPXQKDKQGH-QGZVFWFLSA-N 1 0 395.301 1.418 20 0 GDADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000874847040 656490695 /nfs/dbraw/zinc/49/06/95/656490695.db2.gz LYCSEAFJXOJNQB-UONOGXRCSA-N 1 0 383.539 1.841 20 0 GDADRO COc1ccc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc1Br ZINC000922616170 656495900 /nfs/dbraw/zinc/49/59/00/656495900.db2.gz TUVHTWJUQHFURX-CQSZACIVSA-N 1 0 378.288 1.751 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ncc(Cl)s1)Cc1ccccc1 ZINC000874994519 656499590 /nfs/dbraw/zinc/49/95/90/656499590.db2.gz FKJMSZLDXNGZQP-CYBMUJFWSA-N 1 0 380.901 1.702 20 0 GDADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2ccc(Br)cn2)CC1 ZINC000875046126 656503916 /nfs/dbraw/zinc/50/39/16/656503916.db2.gz CBALHRZFMFNGLI-UHFFFAOYSA-N 1 0 384.322 1.669 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922730317 656505337 /nfs/dbraw/zinc/50/53/37/656505337.db2.gz RAYCYSWPLZGDID-OSFYFWSMSA-N 1 0 389.905 1.098 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCc1ncc(Br)s1)C[NH+]1CCCC1 ZINC000875096797 656508516 /nfs/dbraw/zinc/50/85/16/656508516.db2.gz VUKUSYMCQSVRHT-JTQLQIEISA-N 1 0 389.319 1.370 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCOC2CCOCC2)cc1Br ZINC000922928045 656516878 /nfs/dbraw/zinc/51/68/78/656516878.db2.gz GDEHWKXZDCQVKU-UHFFFAOYSA-N 1 0 393.303 1.382 20 0 GDADRO C[NH+](C)C1(CNC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000922997635 656521111 /nfs/dbraw/zinc/52/11/11/656521111.db2.gz DSSKFFWRYJJVNW-AWEZNQCLSA-N 1 0 384.318 1.994 20 0 GDADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000923023747 656523150 /nfs/dbraw/zinc/52/31/50/656523150.db2.gz CKCIIPJENNMCDD-MRXNPFEDSA-N 1 0 398.257 1.565 20 0 GDADRO O=C(NCCSCCC(F)(F)F)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000875374908 656534967 /nfs/dbraw/zinc/53/49/67/656534967.db2.gz PYZUZKYORNJYSM-CYBMUJFWSA-N 1 0 381.464 1.921 20 0 GDADRO C[NH+](C)C1CCC(NC(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000875423009 656539572 /nfs/dbraw/zinc/53/95/72/656539572.db2.gz XXZHUJKVECXBEH-UHFFFAOYSA-N 1 0 383.290 1.449 20 0 GDADRO [NH3+]C[C@H]1CN(C[C@@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000923377969 656547351 /nfs/dbraw/zinc/54/73/51/656547351.db2.gz FLCJPNAHIUFTIM-HIFRSBDPSA-N 1 0 377.254 1.378 20 0 GDADRO COC(=O)c1cc(Br)c(CN2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000923379521 656547974 /nfs/dbraw/zinc/54/79/74/656547974.db2.gz QISGWUFEYCZDHT-GFCCVEGCSA-N 1 0 387.274 1.794 20 0 GDADRO O[C@H](COc1cc(F)cc(Br)c1)CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000923384763 656548475 /nfs/dbraw/zinc/54/84/75/656548475.db2.gz MKVXZUZQDJQVOL-IMJJTQAJSA-N 1 0 389.265 1.391 20 0 GDADRO O=C(CCN1CCC[C@@H]([NH2+]CCO)C1)Nc1ccc(Br)cc1F ZINC000923404670 656550104 /nfs/dbraw/zinc/55/01/04/656550104.db2.gz LBCKZHYWUYHVOC-CYBMUJFWSA-N 1 0 388.281 1.963 20 0 GDADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@H]([NH2+]CCO)C1 ZINC000923408089 656550434 /nfs/dbraw/zinc/55/04/34/656550434.db2.gz BHVNYCJVZUPOAZ-HOCLYGCPSA-N 1 0 382.302 1.749 20 0 GDADRO CCN(C(=O)C(=O)NCc1ncc(Br)s1)[C@@H]1CC[N@H+](CC)C1 ZINC000875783462 656561742 /nfs/dbraw/zinc/56/17/42/656561742.db2.gz FVKKGGCPXQFJSU-SNVBAGLBSA-N 1 0 389.319 1.465 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3cnc(Br)cn3)CC2)C1 ZINC000923528021 656562522 /nfs/dbraw/zinc/56/25/22/656562522.db2.gz NGIGIECHHQJPLC-CQSZACIVSA-N 1 0 397.321 1.161 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2ncc(Br)s2)C1 ZINC000875784673 656564362 /nfs/dbraw/zinc/56/43/62/656564362.db2.gz JBUQGKPBMLFJND-SNVBAGLBSA-N 1 0 389.319 1.465 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ncc(Br)s2)C1 ZINC000875785585 656565258 /nfs/dbraw/zinc/56/52/58/656565258.db2.gz SXYVUPGVDIPVCP-SNVBAGLBSA-N 1 0 389.319 1.370 20 0 GDADRO O=C(NCc1cnc(Br)cn1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000923556521 656570640 /nfs/dbraw/zinc/57/06/40/656570640.db2.gz OMVFRGOPAIGFOD-VXGBXAGGSA-N 1 0 386.319 1.618 20 0 GDADRO CCOc1cc(CN(C)S(=O)(=O)N2CC[NH2+]CC2)ccc1OC(F)F ZINC000923589577 656572797 /nfs/dbraw/zinc/57/27/97/656572797.db2.gz QELNTTYPTCUIJW-UHFFFAOYSA-N 1 0 379.429 1.269 20 0 GDADRO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000923598937 656574828 /nfs/dbraw/zinc/57/48/28/656574828.db2.gz YQFLXGRHMQCILP-LSDHHAIUSA-N 1 0 389.315 1.904 20 0 GDADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923620941 656577876 /nfs/dbraw/zinc/57/78/76/656577876.db2.gz MPACEGCSPGDNBA-QWHCGFSZSA-N 1 0 385.452 1.191 20 0 GDADRO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000923635794 656578867 /nfs/dbraw/zinc/57/88/67/656578867.db2.gz SHCLTKTVMBIENK-HUUCEWRRSA-N 1 0 376.425 1.743 20 0 GDADRO COC(=O)c1cc(OC)ccc1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000923672786 656581901 /nfs/dbraw/zinc/58/19/01/656581901.db2.gz GJCLKFKPJNWCNE-SNVBAGLBSA-N 1 0 378.397 1.005 20 0 GDADRO O=C1O[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)s2)CC12CC[NH2+]CC2 ZINC000923682182 656584160 /nfs/dbraw/zinc/58/41/60/656584160.db2.gz BFAVFAVQJSGJBX-VIFPVBQESA-N 1 0 398.428 1.731 20 0 GDADRO O=C1O[C@@H](CNS(=O)(=O)c2cnc3ccsc3c2)CC12CC[NH2+]CC2 ZINC000923684831 656586535 /nfs/dbraw/zinc/58/65/35/656586535.db2.gz QDLZRGXTPIRAGT-LLVKDONJSA-N 1 0 381.479 1.260 20 0 GDADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1Br)CC2 ZINC000923686430 656587493 /nfs/dbraw/zinc/58/74/93/656587493.db2.gz LHVGSMFAOQDDHH-GFCCVEGCSA-N 1 0 389.315 1.968 20 0 GDADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2 ZINC000923687553 656588325 /nfs/dbraw/zinc/58/83/25/656588325.db2.gz LMEBVYJYQMXXDN-SNVBAGLBSA-N 1 0 380.297 1.907 20 0 GDADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2 ZINC000923687551 656588397 /nfs/dbraw/zinc/58/83/97/656588397.db2.gz LMEBVYJYQMXXDN-JTQLQIEISA-N 1 0 380.297 1.907 20 0 GDADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(Br)cn1)CC2 ZINC000923688671 656588440 /nfs/dbraw/zinc/58/84/40/656588440.db2.gz XKDCGNDJRFKCHT-LBPRGKRZSA-N 1 0 390.303 1.363 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCNCC[NH2+]CC2)c(C)cc1Br ZINC000923691564 656589522 /nfs/dbraw/zinc/58/95/22/656589522.db2.gz RTSIFSVISPQUGA-UHFFFAOYSA-N 1 0 376.320 1.249 20 0 GDADRO [NH3+][C@]1(CO)CCCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000923693545 656589904 /nfs/dbraw/zinc/58/99/04/656589904.db2.gz ALFSNXHICZHVBK-GFCCVEGCSA-N 1 0 383.695 1.577 20 0 GDADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000923697477 656592189 /nfs/dbraw/zinc/59/21/89/656592189.db2.gz QUBLKOYDSVYMTA-JTQLQIEISA-N 1 0 375.288 1.743 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923702549 656593581 /nfs/dbraw/zinc/59/35/81/656593581.db2.gz MEDYHVUCCTVPPY-WDEREUQCSA-N 1 0 379.404 1.793 20 0 GDADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1csc(Br)c1 ZINC000876471209 656606588 /nfs/dbraw/zinc/60/65/88/656606588.db2.gz LOQNDDLFONLZDU-AWEZNQCLSA-N 1 0 377.304 1.930 20 0 GDADRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1csc(Br)c1 ZINC000876471210 656606647 /nfs/dbraw/zinc/60/66/47/656606647.db2.gz LOQNDDLFONLZDU-CQSZACIVSA-N 1 0 377.304 1.930 20 0 GDADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1(F)F ZINC000876558296 656614106 /nfs/dbraw/zinc/61/41/06/656614106.db2.gz QSNOTLIGJQYBJU-LDYMZIIASA-N 1 0 399.872 1.074 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)s1 ZINC000876570370 656615034 /nfs/dbraw/zinc/61/50/34/656615034.db2.gz BBPMPHSHOULFDO-KGXGESDWSA-N 1 0 385.555 1.951 20 0 GDADRO COC[C@]1(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C[NH2+]CCO1 ZINC000876616138 656618014 /nfs/dbraw/zinc/61/80/14/656618014.db2.gz SXFXKCGKJDTJIW-RDJZCZTQSA-N 1 0 399.285 1.354 20 0 GDADRO [NH3+]C[C@@H]1[C@H](C(=O)NCCCNC(=O)c2cccc(Br)c2)C1(F)F ZINC000876635350 656619819 /nfs/dbraw/zinc/61/98/19/656619819.db2.gz VLKKXNRNDFCQHC-VXGBXAGGSA-N 1 0 390.228 1.525 20 0 GDADRO C[S@@](=O)C1(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000876658577 656622201 /nfs/dbraw/zinc/62/22/01/656622201.db2.gz ZOJJGWVTMLQCNF-ZAMGYDSWSA-N 1 0 379.309 1.644 20 0 GDADRO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H](O)COc2ccccc2Br)C1(F)F ZINC000876690842 656624067 /nfs/dbraw/zinc/62/40/67/656624067.db2.gz SQBKUISFXMGTDI-YGOYTEALSA-N 1 0 379.201 1.145 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000924087706 656624695 /nfs/dbraw/zinc/62/46/95/656624695.db2.gz ITLPPOVFQONUQN-UHFFFAOYSA-N 1 0 387.278 1.626 20 0 GDADRO Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000876894490 656637462 /nfs/dbraw/zinc/63/74/62/656637462.db2.gz PUSMPYXCCNECQH-CYBMUJFWSA-N 1 0 382.251 1.721 20 0 GDADRO COC[C@]1(C(=O)NCCOCc2ccc(Cl)cc2Cl)C[NH2+]CCO1 ZINC000876896965 656637487 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CCN(CC)S(=O)(=O)c1cc(C(=O)NCCOCC[NH2+]C)ccc1Cl ZINC000877024609 656647236 /nfs/dbraw/zinc/64/72/36/656647236.db2.gz JGBQISVPACCTHL-UHFFFAOYSA-N 1 0 391.921 1.336 20 0 GDADRO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)[C@]12CCCO2 ZINC000877037945 656648193 /nfs/dbraw/zinc/64/81/93/656648193.db2.gz DMLSRQJNVXLFRU-SQWLQELKSA-N 1 0 382.473 1.567 20 0 GDADRO COc1cc(C[C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)ccn1 ZINC000877038535 656648742 /nfs/dbraw/zinc/64/87/42/656648742.db2.gz ROIUYDXESZXLRS-GFCCVEGCSA-N 1 0 377.457 1.875 20 0 GDADRO CN(CCOCC[NH3+])C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000877057476 656650286 /nfs/dbraw/zinc/65/02/86/656650286.db2.gz FRCYLTSXKKVILV-UHFFFAOYSA-N 1 0 382.511 1.362 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000877098195 656652730 /nfs/dbraw/zinc/65/27/30/656652730.db2.gz PGGDMEOYXOYVNW-SECBINFHSA-N 1 0 390.303 1.309 20 0 GDADRO [NH3+][C@@H](CC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1)C1CC1 ZINC000877124042 656655315 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386.905 1.094 20 0 GDADRO C[N@H+](CCNC(=O)Nc1ccc(F)c(Br)c1F)CCOCCO ZINC000880140195 656870634 /nfs/dbraw/zinc/87/06/34/656870634.db2.gz FPZHZHZHHOYHIB-UHFFFAOYSA-N 1 0 396.232 1.790 20 0 GDADRO Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1C ZINC000928095061 656870788 /nfs/dbraw/zinc/87/07/88/656870788.db2.gz CTIBNRVHMCHCFW-HOTGVXAUSA-N 1 0 383.539 1.260 20 0 GDADRO O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928093680 656870816 /nfs/dbraw/zinc/87/08/16/656870816.db2.gz MZZGKQNZNZZANV-STQMWFEESA-N 1 0 375.416 1.563 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc(S(C)(=O)=O)cc1 ZINC000928095301 656871747 /nfs/dbraw/zinc/87/17/47/656871747.db2.gz NZJOJYIGRLFJLW-IAOVAPTHSA-N 1 0 382.551 1.890 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928102900 656874431 /nfs/dbraw/zinc/87/44/31/656874431.db2.gz ORWNBWQMDPXXTH-CVEARBPZSA-N 1 0 383.539 1.051 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cs1)C(N)=O ZINC000880225060 656876830 /nfs/dbraw/zinc/87/68/30/656876830.db2.gz NRZZSUFZUYKFPE-ZHDCTAKOSA-N 1 0 382.555 1.783 20 0 GDADRO CCOC(=O)c1sc([C@@H]2CC[N@H+](CCCS(=O)(=O)NC)C2)nc1C ZINC000880322371 656883234 /nfs/dbraw/zinc/88/32/34/656883234.db2.gz JTGMWDVZFSIMNI-GFCCVEGCSA-N 1 0 375.516 1.357 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]2c2ncc(Br)cn2)cn1 ZINC000928359692 656896772 /nfs/dbraw/zinc/89/67/72/656896772.db2.gz POANVQWAMCPWAU-CQSZACIVSA-N 1 0 393.289 1.975 20 0 GDADRO COC(=O)[C@]1(O)CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000880566107 656897934 /nfs/dbraw/zinc/89/79/34/656897934.db2.gz UIZTXZOQGRUQEH-GJZGRUSLSA-N 1 0 392.677 1.920 20 0 GDADRO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)C[C@@H]1C ZINC000880609092 656900142 /nfs/dbraw/zinc/90/01/42/656900142.db2.gz QAPDNSVQBYGSHA-TXEJJXNPSA-N 1 0 393.289 1.980 20 0 GDADRO O=C(NCc1cn(Cc2ncccc2Br)nn1)C1CC[NH2+]CC1 ZINC000881364572 656930977 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CC(=O)NCCCCC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000929631962 656976807 /nfs/dbraw/zinc/97/68/07/656976807.db2.gz LEKNSPTZGHMKGY-UHFFFAOYSA-N 1 0 387.468 1.581 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000929884208 656989561 /nfs/dbraw/zinc/98/95/61/656989561.db2.gz AJSWHRXXIXYSLF-TZMCWYRMSA-N 1 0 398.301 1.771 20 0 GDADRO CC(=O)NCCCCCN1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000929898263 656990826 /nfs/dbraw/zinc/99/08/26/656990826.db2.gz SNISKAICWHYWFK-UHFFFAOYSA-N 1 0 387.571 1.978 20 0 GDADRO CNS(=O)(=O)[C@H]1CCC[N@H+](CCCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000929983259 656994858 /nfs/dbraw/zinc/99/48/58/656994858.db2.gz ZVKMRKFFSVJPKT-HNNXBMFYSA-N 1 0 375.535 1.790 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000930017867 656996076 /nfs/dbraw/zinc/99/60/76/656996076.db2.gz KBYQSAQRTNPSFH-ILXRZTDVSA-N 1 0 375.535 1.693 20 0 GDADRO C[N@H+](CCc1nccs1)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000930088295 656999449 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20 0 GDADRO C[NH+](C)C[C@H]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000882171754 657063505 /nfs/dbraw/zinc/06/35/05/657063505.db2.gz JIEHLUYXMWDNAA-SECBINFHSA-N 1 0 383.212 1.956 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000931184170 657077573 /nfs/dbraw/zinc/07/75/73/657077573.db2.gz ZQGDPWZGCGYTOZ-CQSZACIVSA-N 1 0 375.535 1.790 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000931184360 657078186 /nfs/dbraw/zinc/07/81/86/657078186.db2.gz BVIUUTQIAHBPFK-NEPJUHHUSA-N 1 0 383.290 1.956 20 0 GDADRO Cn1[nH]c(=O)c2c1C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000931200560 657080303 /nfs/dbraw/zinc/08/03/03/657080303.db2.gz YVNGPXRVEYEOMO-GFCCVEGCSA-N 1 0 382.258 1.686 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000931224998 657082118 /nfs/dbraw/zinc/08/21/18/657082118.db2.gz DOQMFIXLOPOTHT-NWDGAFQWSA-N 1 0 397.324 1.876 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ncc(Br)cn2)CC1 ZINC000931300844 657090313 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O=C(NC[C@H](O)C(F)(F)C(F)(F)F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000882556147 657149725 /nfs/dbraw/zinc/14/97/25/657149725.db2.gz FNPUJQJFBWNCPN-MNOVXSKESA-N 1 0 376.391 1.879 20 0 GDADRO O=C(c1cnn2cccc(Br)c12)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000932160959 657153780 /nfs/dbraw/zinc/15/37/80/657153780.db2.gz GTHJGSNGSPMQKN-HUUCEWRRSA-N 1 0 393.285 1.768 20 0 GDADRO CCOC(=O)c1sc([C@@H]2CCN(S(=O)(=O)CCC[NH+](C)C)C2)nc1C ZINC000882638711 657170262 /nfs/dbraw/zinc/17/02/62/657170262.db2.gz RRLCFCAAWRVAHM-CYBMUJFWSA-N 1 0 389.543 1.699 20 0 GDADRO COC(C)(C)[C@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000932372493 657180786 /nfs/dbraw/zinc/18/07/86/657180786.db2.gz MNJPKTDURLIWHE-ZDUSSCGKSA-N 1 0 392.543 1.114 20 0 GDADRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000932493487 657191283 /nfs/dbraw/zinc/19/12/83/657191283.db2.gz GQSYRJOSWSYGIE-COPLHBTASA-N 1 0 389.905 1.542 20 0 GDADRO C[C@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000932498357 657191776 /nfs/dbraw/zinc/19/17/76/657191776.db2.gz FDZQARZQSWUGBD-NHYWBVRUSA-N 1 0 389.905 1.543 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1nccc2c(Br)cccc21 ZINC000932527414 657194874 /nfs/dbraw/zinc/19/48/74/657194874.db2.gz WDLQVRILVYZKQI-LBPRGKRZSA-N 1 0 377.286 1.973 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(=O)[nH]cc3Br)C2)CC1 ZINC000932621357 657203656 /nfs/dbraw/zinc/20/36/56/657203656.db2.gz HSYRFIMFBPITGE-NSHDSACASA-N 1 0 383.290 1.448 20 0 GDADRO C[C@@H](CNC(=O)c1ccccc1[S@@](=O)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000932723256 657214483 /nfs/dbraw/zinc/21/44/83/657214483.db2.gz NBUPGOKSJPPWGB-UOXLDJKESA-N 1 0 377.432 1.680 20 0 GDADRO NS(=O)(=O)C[C@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000932956787 657238320 /nfs/dbraw/zinc/23/83/20/657238320.db2.gz VKMLXYNMGWKWKA-JTQLQIEISA-N 1 0 380.297 1.932 20 0 GDADRO NC(=O)C1([NH+]2CCCCC2)CCN(c2ncnc(F)c2Br)CC1 ZINC000882813129 657239292 /nfs/dbraw/zinc/23/92/92/657239292.db2.gz FUTXCLJODRQTTA-UHFFFAOYSA-N 1 0 386.269 1.688 20 0 GDADRO O=C(CC[NH2+][C@@H]1C(=O)NCC12CCOCC2)Nc1ccccc1Br ZINC000933035299 657248091 /nfs/dbraw/zinc/24/80/91/657248091.db2.gz NOUYRAFUKFSYGW-OAHLLOKOSA-N 1 0 396.285 1.663 20 0 GDADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000933035767 657248208 /nfs/dbraw/zinc/24/82/08/657248208.db2.gz QTMSRRJEGOZQMM-KBPBESRZSA-N 1 0 387.249 1.506 20 0 GDADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000933038906 657248806 /nfs/dbraw/zinc/24/88/06/657248806.db2.gz ISFPJPYFKBKEFP-IAQYHMDHSA-N 1 0 389.279 1.618 20 0 GDADRO C[N@H+](CCNc1cc(Br)cnc1Br)CCOCCO ZINC000882951384 657260078 /nfs/dbraw/zinc/26/00/78/657260078.db2.gz BQTPZZNHMATXBY-UHFFFAOYSA-N 1 0 397.111 1.959 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN1CCc2cc(F)c(Br)cc2C1 ZINC000933138200 657262186 /nfs/dbraw/zinc/26/21/86/657262186.db2.gz OJRBIJJIDKAOOA-CQSZACIVSA-N 1 0 375.282 1.885 20 0 GDADRO O=C(c1ccc(Br)[nH]c1=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000933179277 657263321 /nfs/dbraw/zinc/26/33/21/657263321.db2.gz QWAMDOPXNNEJII-UHFFFAOYSA-N 1 0 384.274 1.734 20 0 GDADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCCOC1 ZINC000883179925 657276588 /nfs/dbraw/zinc/27/65/88/657276588.db2.gz NURXSEGCMKMDOG-CJNGLKHVSA-N 1 0 376.906 1.650 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000883290713 657279514 /nfs/dbraw/zinc/27/95/14/657279514.db2.gz DKPOTWPSSGWZRF-UHFFFAOYSA-N 1 0 379.324 1.523 20 0 GDADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436162 657279944 /nfs/dbraw/zinc/27/99/44/657279944.db2.gz AMWHIOVACUEONL-BDJLRTHQSA-N 1 0 386.290 1.566 20 0 GDADRO O=C1NCCn2c(C[NH2+][C@@H]3CCc4cc(Br)ccc4C3)nnc21 ZINC000883303358 657280744 /nfs/dbraw/zinc/28/07/44/657280744.db2.gz VVSODNXCLDAHDM-CYBMUJFWSA-N 1 0 376.258 1.431 20 0 GDADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CCN1CCCS1(=O)=O ZINC000933438213 657281125 /nfs/dbraw/zinc/28/11/25/657281125.db2.gz URFJQVMLHBCMDA-OAHLLOKOSA-N 1 0 391.331 1.368 20 0 GDADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000933442585 657281650 /nfs/dbraw/zinc/28/16/50/657281650.db2.gz UFKRLFASOKUFQE-DZGCQCFKSA-N 1 0 376.316 1.767 20 0 GDADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000933448815 657282165 /nfs/dbraw/zinc/28/21/65/657282165.db2.gz KPGKEBMPZVIIKV-CQSZACIVSA-N 1 0 381.782 1.611 20 0 GDADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC000883359176 657284139 /nfs/dbraw/zinc/28/41/39/657284139.db2.gz ZPQSYCKZYATSBD-GZMMTYOYSA-N 1 0 376.347 1.804 20 0 GDADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000883466641 657287940 /nfs/dbraw/zinc/28/79/40/657287940.db2.gz RXRTXBTVWCWNKV-SECBINFHSA-N 1 0 383.695 1.759 20 0 GDADRO CN(CCC[NH3+])S(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 ZINC000883466629 657288117 /nfs/dbraw/zinc/28/81/17/657288117.db2.gz RRQBSMPHLCYXQC-UHFFFAOYSA-N 1 0 390.303 1.693 20 0 GDADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 ZINC000883468806 657288447 /nfs/dbraw/zinc/28/84/47/657288447.db2.gz BKKFJBCRLVVCNR-VIFPVBQESA-N 1 0 390.303 1.692 20 0 GDADRO COC(=O)c1ccc(OC)c(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c1 ZINC000883470839 657288910 /nfs/dbraw/zinc/28/89/10/657288910.db2.gz JRBYJRRSDBJNPQ-UHFFFAOYSA-N 1 0 384.376 1.384 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c(OC)c1 ZINC000883470931 657289027 /nfs/dbraw/zinc/28/90/27/657289027.db2.gz NFBWYJDRGWJZHC-UHFFFAOYSA-N 1 0 384.376 1.384 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cnn(CC(F)(F)F)c1)C2 ZINC000883480606 657291494 /nfs/dbraw/zinc/29/14/94/657291494.db2.gz HSQHJGXODCNICG-UHFFFAOYSA-N 1 0 381.405 1.108 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)CCc1ccc3c(c1)CCO3)C2 ZINC000883480956 657291628 /nfs/dbraw/zinc/29/16/28/657291628.db2.gz SEVHHMLXAMWFOI-UHFFFAOYSA-N 1 0 379.507 1.467 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCCC(C)(C)[NH3+])c(Br)cc1F ZINC000883479839 657291652 /nfs/dbraw/zinc/29/16/52/657291652.db2.gz KIUVNQVWLGITQN-UHFFFAOYSA-N 1 0 397.266 1.781 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000883481559 657292084 /nfs/dbraw/zinc/29/20/84/657292084.db2.gz QOOYAMHTDFLJRE-UHFFFAOYSA-N 1 0 383.495 1.374 20 0 GDADRO C[C@@H]1C[N@H+](CCOc2ccccc2Br)C[C@H]1CS(N)(=O)=O ZINC000933702452 657300045 /nfs/dbraw/zinc/30/00/45/657300045.db2.gz OMCVPKUYTARCCN-NEPJUHHUSA-N 1 0 377.304 1.684 20 0 GDADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883593132 657300288 /nfs/dbraw/zinc/30/02/88/657300288.db2.gz BZCQQAWUFDWWFW-AOOOYVTPSA-N 1 0 381.230 1.748 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C[C@H]1C[NH3+] ZINC000883594156 657300833 /nfs/dbraw/zinc/30/08/33/657300833.db2.gz ZWPQBHBDGUCSFL-RKDXNWHRSA-N 1 0 383.246 1.839 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000883639768 657303114 /nfs/dbraw/zinc/30/31/14/657303114.db2.gz YMMQSZXIZXLSKC-HNNXBMFYSA-N 1 0 386.315 1.681 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000883661877 657304580 /nfs/dbraw/zinc/30/45/80/657304580.db2.gz UTSGJNJOQZHMCA-MFKMUULPSA-N 1 0 386.315 1.679 20 0 GDADRO O=C(NCC[C@H]1CC1(Cl)Cl)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883733835 657309314 /nfs/dbraw/zinc/30/93/14/657309314.db2.gz HHJBCFOBSLUOOQ-GJZGRUSLSA-N 1 0 393.359 1.666 20 0 GDADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCc2ncc(Cl)s2)CC1 ZINC000883765648 657310739 /nfs/dbraw/zinc/31/07/39/657310739.db2.gz BFGOCGHMJZHYFA-UHFFFAOYSA-N 1 0 385.921 1.812 20 0 GDADRO [NH3+][C@H](C(=O)N1CCN(C(=O)N2CCCC2)CC1)c1ccc(Br)cc1 ZINC000884064871 657322961 /nfs/dbraw/zinc/32/29/61/657322961.db2.gz WOOHQYKXPDRXJB-HNNXBMFYSA-N 1 0 395.301 1.809 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000884112821 657326619 /nfs/dbraw/zinc/32/66/19/657326619.db2.gz YDXNPKNMHLLTGZ-HNNXBMFYSA-N 1 0 394.313 1.979 20 0 GDADRO CN1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@H+](C)CC1 ZINC000933996914 657331825 /nfs/dbraw/zinc/33/18/25/657331825.db2.gz FKVQBLSDVDUEFV-AWEZNQCLSA-N 1 0 376.328 1.912 20 0 GDADRO CN1CCN(C[C@H](O)COc2ccc(Br)cc2)CC[N@H+](C)CC1 ZINC000934000178 657332418 /nfs/dbraw/zinc/33/24/18/657332418.db2.gz HJSFVZLEIDUHND-INIZCTEOSA-N 1 0 386.334 1.368 20 0 GDADRO COCC[C@@H]([NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000884176764 657332603 /nfs/dbraw/zinc/33/26/03/657332603.db2.gz OPLAUIFOTQGHPL-GFCCVEGCSA-N 1 0 380.798 1.766 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCN(c2cccnn2)CC1)c1ccc(Br)cc1 ZINC000884209639 657334248 /nfs/dbraw/zinc/33/42/48/657334248.db2.gz FWBKTQQBEHQYEQ-OAHLLOKOSA-N 1 0 376.258 1.588 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1)C(N)=O ZINC000884301146 657343935 /nfs/dbraw/zinc/34/39/35/657343935.db2.gz PNFGYVLWAWNLCS-YNEHKIRRSA-N 1 0 382.555 1.500 20 0 GDADRO O=C(c1nc(Br)c2ccccn21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000934222383 657345518 /nfs/dbraw/zinc/34/55/18/657345518.db2.gz LIMSHIICABIXGZ-CYBMUJFWSA-N 1 0 393.285 1.891 20 0 GDADRO COCC[C@@H]([NH3+])C(=O)NCc1ccc(I)c(Cl)c1 ZINC000884321458 657345522 /nfs/dbraw/zinc/34/55/22/657345522.db2.gz OWHKVXBVHQNMPT-LLVKDONJSA-N 1 0 382.629 1.925 20 0 GDADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000884341115 657348677 /nfs/dbraw/zinc/34/86/77/657348677.db2.gz SMXOSUKPSSVKHT-BLLLJJGKSA-N 1 0 397.317 1.950 20 0 GDADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934260869 657349015 /nfs/dbraw/zinc/34/90/15/657349015.db2.gz CABSUHVFXLEFRT-XHSDSOJGSA-N 1 0 382.302 1.507 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)c1I ZINC000884366066 657350332 /nfs/dbraw/zinc/35/03/32/657350332.db2.gz SXAPUWALRBPTAA-UWVGGRQHSA-N 1 0 376.242 1.924 20 0 GDADRO CC(C)Cc1ncc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000934307738 657352063 /nfs/dbraw/zinc/35/20/63/657352063.db2.gz QOWHZCUEPXYWII-CQSZACIVSA-N 1 0 387.571 1.923 20 0 GDADRO [NH3+][C@H](C(=O)N1CC[C@@H](CN2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000884415394 657354666 /nfs/dbraw/zinc/35/46/66/657354666.db2.gz SJMCNSYQAJJIBR-LRDDRELGSA-N 1 0 380.286 1.920 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000884431425 657355832 /nfs/dbraw/zinc/35/58/32/657355832.db2.gz TXNRDGFNHSQKKH-KGLIPLIRSA-N 1 0 379.254 1.931 20 0 GDADRO COCc1ncc2c(n1)CCN(C(=O)[C@H]([NH3+])c1ccc(Br)cc1)C2 ZINC000884450560 657358192 /nfs/dbraw/zinc/35/81/92/657358192.db2.gz MQBXKFUSRRILEM-MRXNPFEDSA-N 1 0 391.269 1.970 20 0 GDADRO O=C(NCc1ccc(Br)cn1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884471157 657359696 /nfs/dbraw/zinc/35/96/96/657359696.db2.gz MYMNZJIAQWEYNT-UHFFFAOYSA-N 1 0 376.258 1.579 20 0 GDADRO O=C(NCCOc1ccccc1Cl)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884501098 657361712 /nfs/dbraw/zinc/36/17/12/657361712.db2.gz YYSLIYKQOGAAKQ-LLVKDONJSA-N 1 0 375.803 1.196 20 0 GDADRO C[C@@](CO)([NH2+]CC(=O)N1CCOC(C)(C)C1)c1cccc(Br)c1 ZINC000934494358 657362961 /nfs/dbraw/zinc/36/29/61/657362961.db2.gz PEYQRIGBTATEPU-KRWDZBQOSA-N 1 0 385.302 1.884 20 0 GDADRO COC(=O)CN(C)C(=O)CC[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934497505 657363919 /nfs/dbraw/zinc/36/39/19/657363919.db2.gz NUZAUVNFUPMYLF-MRXNPFEDSA-N 1 0 387.274 1.268 20 0 GDADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934497350 657364169 /nfs/dbraw/zinc/36/41/69/657364169.db2.gz UWHXAEKPQWBGQA-RCBQFDQVSA-N 1 0 376.291 1.659 20 0 GDADRO CCC1([NH3+])CCN(C(=O)C(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000884585109 657365626 /nfs/dbraw/zinc/36/56/26/657365626.db2.gz AOWVUCYYGXBJHJ-UHFFFAOYSA-N 1 0 398.301 1.804 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1Br ZINC000884585653 657366047 /nfs/dbraw/zinc/36/60/47/657366047.db2.gz QHTDICKVHBRVAZ-KGLIPLIRSA-N 1 0 396.285 1.427 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)ccc1Cl ZINC000884606774 657366380 /nfs/dbraw/zinc/36/63/80/657366380.db2.gz JDSKJZVZTDAMRS-UHFFFAOYSA-N 1 0 378.885 1.765 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl ZINC000884606608 657366478 /nfs/dbraw/zinc/36/64/78/657366478.db2.gz GBDGIQNFCQPDQT-VXGBXAGGSA-N 1 0 377.794 1.860 20 0 GDADRO COc1cc(Cl)ccc1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884656367 657368887 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OC[C@@H]([NH2+]C[C@@H]1CCc2ncnn21)c1ccccc1I ZINC000934825089 657379131 /nfs/dbraw/zinc/37/91/31/657379131.db2.gz AVAQNBRLXQXBGG-GXFFZTMASA-N 1 0 384.221 1.693 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000884951165 657389276 /nfs/dbraw/zinc/38/92/76/657389276.db2.gz YKTHBCAZUKRDBN-CHWSQXEVSA-N 1 0 391.490 1.102 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000884951469 657389888 /nfs/dbraw/zinc/38/98/88/657389888.db2.gz DYCOVMKNKFHUFD-NWDGAFQWSA-N 1 0 391.490 1.102 20 0 GDADRO Cc1ncc([C@H](C)NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000884961217 657390879 /nfs/dbraw/zinc/39/08/79/657390879.db2.gz JLNYWQKDWROWTH-GDPRMGEGSA-N 1 0 378.420 1.614 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000884969827 657393842 /nfs/dbraw/zinc/39/38/42/657393842.db2.gz RPANGRWIBQNJFA-NXHRZFHOSA-N 1 0 397.313 1.714 20 0 GDADRO O=C(NCCSCCC(F)(F)F)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000884991322 657397930 /nfs/dbraw/zinc/39/79/30/657397930.db2.gz VNBXSDMKNRLLIX-ZDUSSCGKSA-N 1 0 381.464 1.779 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000935261297 657418341 /nfs/dbraw/zinc/41/83/41/657418341.db2.gz YQZLMINDZBWHCP-GFCCVEGCSA-N 1 0 384.274 1.569 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc1Br ZINC000885096802 657418722 /nfs/dbraw/zinc/41/87/22/657418722.db2.gz NIFBIRIPKSVVEZ-UHFFFAOYSA-N 1 0 380.286 1.728 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C[C@H](C)[NH2+]1 ZINC000885109041 657421202 /nfs/dbraw/zinc/42/12/02/657421202.db2.gz FNHIEYKEMUWSLR-IUCAKERBSA-N 1 0 378.782 1.579 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CC[C@H]1F ZINC000885108878 657421311 /nfs/dbraw/zinc/42/13/11/657421311.db2.gz BFWHSOCGFSNYRB-NXEZZACHSA-N 1 0 382.745 1.268 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000885109576 657421684 /nfs/dbraw/zinc/42/16/84/657421684.db2.gz WCXLLPBLRKJWRH-UHFFFAOYSA-N 1 0 376.766 1.320 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000885109062 657421711 /nfs/dbraw/zinc/42/17/11/657421711.db2.gz GDDZGLCXRXOFQZ-SECBINFHSA-N 1 0 378.782 1.438 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCc1sccc1Br)C2 ZINC000885209807 657428709 /nfs/dbraw/zinc/42/87/09/657428709.db2.gz BJXXHBJAOSMIFY-BMIGLBTASA-N 1 0 386.315 1.509 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000935398994 657429829 /nfs/dbraw/zinc/42/98/29/657429829.db2.gz DHEGNLBAYHBUCR-ZBEGNZNMSA-N 1 0 382.258 1.058 20 0 GDADRO CN(Cc1ccc(Cl)c(F)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885279412 657437908 /nfs/dbraw/zinc/43/79/08/657437908.db2.gz IFOWTTVGFAFGHI-NSHDSACASA-N 1 0 377.794 1.799 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ncc(Br)cn2)CC1 ZINC000935768419 657481291 /nfs/dbraw/zinc/48/12/91/657481291.db2.gz ZAKWMQXUZVCZQN-UHFFFAOYSA-N 1 0 378.230 1.605 20 0 GDADRO O=C(c1cc(=O)[nH]cc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000935811672 657489121 /nfs/dbraw/zinc/48/91/21/657489121.db2.gz DCWXXIVYVWREJH-LBPRGKRZSA-N 1 0 384.274 1.877 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000935854712 657502462 /nfs/dbraw/zinc/50/24/62/657502462.db2.gz FDXJHOMUDPVKBR-CQSZACIVSA-N 1 0 381.489 1.377 20 0 GDADRO CO[C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000942007365 657555431 /nfs/dbraw/zinc/55/54/31/657555431.db2.gz GZUFUAWZQBHSSK-DDHJBXDOSA-N 1 0 386.905 1.092 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000956949190 657569918 /nfs/dbraw/zinc/56/99/18/657569918.db2.gz BKODEJAOZURQAC-FPMFFAJLSA-N 1 0 380.286 1.587 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1nccn2c(Br)cnc12 ZINC000885879056 657581938 /nfs/dbraw/zinc/58/19/38/657581938.db2.gz CJVUJHQBSFJCOG-LBPRGKRZSA-N 1 0 394.273 1.475 20 0 GDADRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nc(Cl)cs2)CC[N@@H+]1C ZINC000997014525 657631970 /nfs/dbraw/zinc/63/19/70/657631970.db2.gz AHCZGECAOGNVNK-KVSVUVNWSA-N 1 0 382.917 1.998 20 0 GDADRO COC(=O)c1cncc([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000886553194 657674869 /nfs/dbraw/zinc/67/48/69/657674869.db2.gz FYWHILQXJMHPKD-LBPRGKRZSA-N 1 0 383.495 1.901 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)NC2(c3ncc(Br)cn3)CCC2)cn1 ZINC000886842307 657708138 /nfs/dbraw/zinc/70/81/38/657708138.db2.gz OLKJNWIDXMLNGV-UHFFFAOYSA-N 1 0 393.289 1.806 20 0 GDADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(OCCOC)c(Br)c1 ZINC000886885207 657716438 /nfs/dbraw/zinc/71/64/38/657716438.db2.gz LPWSMNMEYYHKLM-LLVKDONJSA-N 1 0 395.319 1.751 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1Br ZINC000886885442 657716661 /nfs/dbraw/zinc/71/66/61/657716661.db2.gz VKSPHTJLNIFINC-MGCOHNPYSA-N 1 0 379.276 1.242 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000886890700 657719854 /nfs/dbraw/zinc/71/98/54/657719854.db2.gz QCRRLRZVYWXXCD-SNVBAGLBSA-N 1 0 381.267 1.969 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000886892015 657720363 /nfs/dbraw/zinc/72/03/63/657720363.db2.gz NWUIOFNBTFCRKX-GFCCVEGCSA-N 1 0 389.905 1.423 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000886896305 657721959 /nfs/dbraw/zinc/72/19/59/657721959.db2.gz FHDUGTZLKLYZDE-SECBINFHSA-N 1 0 399.822 1.961 20 0 GDADRO COC(=O)c1c(F)ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1F ZINC000886896690 657722649 /nfs/dbraw/zinc/72/26/49/657722649.db2.gz QXCPYBNFMHYCCH-MRVPVSSYSA-N 1 0 384.351 1.275 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2nc(Cl)cs2)C3)C1 ZINC001005358281 657725849 /nfs/dbraw/zinc/72/58/49/657725849.db2.gz SGCGMHNMQKPDNF-LPWJVIDDSA-N 1 0 382.917 2.000 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886901282 657726192 /nfs/dbraw/zinc/72/61/92/657726192.db2.gz VDYTYMUTXHWZIC-KRWDZBQOSA-N 1 0 386.539 1.635 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)c1csc(Cl)n1 ZINC001006179136 657730792 /nfs/dbraw/zinc/73/07/92/657730792.db2.gz WQIHKOUINUPALV-WZRBSPASSA-N 1 0 380.901 1.754 20 0 GDADRO CCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1OC)[C@@H]1CC[NH2+]C1 ZINC000887000590 657734266 /nfs/dbraw/zinc/73/42/66/657734266.db2.gz HGBPMHXVWHCPRC-GFCCVEGCSA-N 1 0 384.274 1.915 20 0 GDADRO CCN(C(=O)C(=O)Nc1cc(Br)c(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC000887004832 657736129 /nfs/dbraw/zinc/73/61/29/657736129.db2.gz WUCNTFIROFETJT-MRVPVSSYSA-N 1 0 376.201 1.876 20 0 GDADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1)[C@H]1CC[NH2+]C1 ZINC000887004755 657736289 /nfs/dbraw/zinc/73/62/89/657736289.db2.gz VCTQWGXRWDTCGO-NSHDSACASA-N 1 0 398.257 1.385 20 0 GDADRO COC(=O)c1scc(C)c1NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000887035472 657741215 /nfs/dbraw/zinc/74/12/15/657741215.db2.gz PBNYOIYNNZXGFC-SECBINFHSA-N 1 0 375.397 1.143 20 0 GDADRO CNC(=O)C1([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCOCC1 ZINC000887082750 657753433 /nfs/dbraw/zinc/75/34/33/657753433.db2.gz CXCCNZSOEXJLPF-GFCCVEGCSA-N 1 0 377.268 1.618 20 0 GDADRO [NH3+][C@H]1CCCN(Cc2cn(Cc3ccc(I)cc3)nn2)C1 ZINC000887419514 657780886 /nfs/dbraw/zinc/78/08/86/657780886.db2.gz RONXTJQFNYXXFC-AWEZNQCLSA-N 1 0 397.264 1.854 20 0 GDADRO [NH3+][C@H]1CCCN(Cc2cn(Cc3ccccc3I)nn2)C1 ZINC000887415853 657781180 /nfs/dbraw/zinc/78/11/80/657781180.db2.gz YKIJQQRCXYVPPW-ZDUSSCGKSA-N 1 0 397.264 1.854 20 0 GDADRO [NH3+][C@@H]1CCCN(Cc2cn(C[C@@H](O)c3cccc(Br)c3)nn2)C1 ZINC000887448880 657784057 /nfs/dbraw/zinc/78/40/57/657784057.db2.gz IXHYVUXMAURVCF-GDBMZVCRSA-N 1 0 380.290 1.697 20 0 GDADRO C[N@H+](CCO)CCNC(=O)Nc1cc(I)ccc1Cl ZINC000887880928 657840799 /nfs/dbraw/zinc/84/07/99/657840799.db2.gz CDCCCADWRXXJGV-UHFFFAOYSA-N 1 0 397.644 1.990 20 0 GDADRO CC(C)[NH+]1CCC(N(C)C(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)CC1 ZINC000887899751 657842532 /nfs/dbraw/zinc/84/25/32/657842532.db2.gz DSVHGVAIJZXXOW-LBPRGKRZSA-N 1 0 384.571 1.983 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)CNC(=O)c3ccc(Br)s3)C[C@]2(C)C1 ZINC000887928163 657849689 /nfs/dbraw/zinc/84/96/89/657849689.db2.gz YFJSUCSMRJOWOJ-BMIGLBTASA-N 1 0 386.315 1.651 20 0 GDADRO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(=O)n1C ZINC000889755465 658032076 /nfs/dbraw/zinc/03/20/76/658032076.db2.gz GKTAWPZVPSBVMT-GJZGRUSLSA-N 1 0 398.301 1.127 20 0 GDADRO O=C(COc1ccccc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889761816 658033325 /nfs/dbraw/zinc/03/33/25/658033325.db2.gz MOFOIGJEUCICEF-CABCVRRESA-N 1 0 383.286 1.886 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890068052 658078497 /nfs/dbraw/zinc/07/84/97/658078497.db2.gz CQQWLOQTPXYCRG-UHFFFAOYSA-N 1 0 376.242 1.784 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)N[C@](C)(CO)c2cccc(Br)c2)cn1 ZINC000890630942 658132944 /nfs/dbraw/zinc/13/29/44/658132944.db2.gz XHOOLLOFZFSGCD-QGZVFWFLSA-N 1 0 395.301 1.845 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOC1CCSCC1 ZINC000891218149 658203480 /nfs/dbraw/zinc/20/34/80/658203480.db2.gz SJDAZFZTJCWQHJ-AWEZNQCLSA-N 1 0 375.535 1.470 20 0 GDADRO CC[N@H+](CC(=O)N[C@@H](CO)c1ccccc1I)C1CC1 ZINC000891322078 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GDADRO CN(C(=O)[C@@]12CC[N@H+](C1)CCC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000901316090 659209357 /nfs/dbraw/zinc/20/93/57/659209357.db2.gz RJMKKGMZUUTNTE-PBHICJAKSA-N 1 0 380.286 1.920 20 0 GDADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CN1C(=S)N=NC1Cc1cccs1 ZINC000902641764 659269502 /nfs/dbraw/zinc/26/95/02/659269502.db2.gz AUJHETZLNSQAFW-CABCVRRESA-N 1 0 379.555 1.708 20 0 GDADRO COc1ccccc1N1CCC([NH2+]CCS(=O)(=O)N=S(C)(C)=O)CC1 ZINC000903226630 659305631 /nfs/dbraw/zinc/30/56/31/659305631.db2.gz OIBPGAZAQZFCCB-UHFFFAOYSA-N 1 0 389.543 1.311 20 0 GDADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903229207 659307172 /nfs/dbraw/zinc/30/71/72/659307172.db2.gz FQLYKFAWSGBRRY-HNNXBMFYSA-N 1 0 380.507 1.420 20 0 GDADRO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903229863 659307695 /nfs/dbraw/zinc/30/76/95/659307695.db2.gz QPULIEBBDAQNPV-RDJZCZTQSA-N 1 0 387.571 1.544 20 0 GDADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000903325742 659313687 /nfs/dbraw/zinc/31/36/87/659313687.db2.gz MQUQQEJJSLUFLI-ZDUSSCGKSA-N 1 0 382.258 1.983 20 0 GDADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H](C)C1(Br)CC1)CCS2(=O)=O ZINC000903452768 659316228 /nfs/dbraw/zinc/31/62/28/659316228.db2.gz QMBCOIRDZBKBOE-ATWGWHJKSA-N 1 0 394.331 1.791 20 0 GDADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1ccc(I)s1 ZINC000903500773 659319620 /nfs/dbraw/zinc/31/96/20/659319620.db2.gz XVSJVDXILSBIOJ-QMMMGPOBSA-N 1 0 398.291 1.773 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(I)s2)C1 ZINC000903504091 659319825 /nfs/dbraw/zinc/31/98/25/659319825.db2.gz RAICDJPAWATILT-HTQZYQBOSA-N 1 0 386.280 1.758 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 ZINC000903509710 659320714 /nfs/dbraw/zinc/32/07/14/659320714.db2.gz OLYJPGJTISIUCO-NSHDSACASA-N 1 0 381.420 1.184 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC000903511915 659321975 /nfs/dbraw/zinc/32/19/75/659321975.db2.gz GFOQZPYVAUAZKI-UHFFFAOYSA-N 1 0 390.303 1.787 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC[C@@H]1[NH3+] ZINC000903513637 659323033 /nfs/dbraw/zinc/32/30/33/659323033.db2.gz QKXNXNGBNPFJAS-SKDRFNHKSA-N 1 0 391.287 1.677 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)c1ccc(I)s1 ZINC000903517649 659324692 /nfs/dbraw/zinc/32/46/92/659324692.db2.gz RQLVTJVIOOSDSX-SFYZADRCSA-N 1 0 386.280 1.487 20 0 GDADRO [NH3+][C@@H](CNS(=O)(=O)Cc1cc2c(cc1Br)OCO2)C1CC1 ZINC000903518761 659326119 /nfs/dbraw/zinc/32/61/19/659326119.db2.gz WSTZWGDCMRITGX-NSHDSACASA-N 1 0 377.260 1.335 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2ccc(I)s2)C[C@@H]1[NH3+] ZINC000903519383 659326713 /nfs/dbraw/zinc/32/67/13/659326713.db2.gz CXMUOZFYPZDMPK-ZETCQYMHSA-N 1 0 386.280 1.711 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000903542190 659334665 /nfs/dbraw/zinc/33/46/65/659334665.db2.gz GARDOKOEEPVKMS-UHFFFAOYSA-N 1 0 398.710 1.626 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)cnc1Cl ZINC000903544393 659335159 /nfs/dbraw/zinc/33/51/59/659335159.db2.gz PSZNMAFLHHJKNI-LLVKDONJSA-N 1 0 380.297 1.825 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Br)cn1 ZINC000903545369 659335614 /nfs/dbraw/zinc/33/56/14/659335614.db2.gz OJBHNOWVHLZYTB-GFCCVEGCSA-N 1 0 390.303 1.281 20 0 GDADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCC1 ZINC000903548253 659337167 /nfs/dbraw/zinc/33/71/67/659337167.db2.gz YNCLZSDXWMOTHD-CABCVRRESA-N 1 0 378.560 1.125 20 0 GDADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCC1 ZINC000903548255 659337285 /nfs/dbraw/zinc/33/72/85/659337285.db2.gz YNCLZSDXWMOTHD-HUUCEWRRSA-N 1 0 378.560 1.125 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)/C=C\c1cccc(Cl)c1)C2 ZINC000903551519 659338349 /nfs/dbraw/zinc/33/83/49/659338349.db2.gz OFJZJRSWAVMCIH-CEQBETFZSA-N 1 0 384.885 1.853 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1cc(F)ccc1Cl)C2 ZINC000903551284 659338390 /nfs/dbraw/zinc/33/83/90/659338390.db2.gz DEMQTUVJRKBDBT-ISOBSLSZSA-N 1 0 376.837 1.380 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@H]2C[NH2+]CC2(C)C)s1 ZINC000903554075 659339501 /nfs/dbraw/zinc/33/95/01/659339501.db2.gz MGQQTCHLOAHXNE-VIFPVBQESA-N 1 0 397.316 1.574 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)ccc1F ZINC000903558686 659340831 /nfs/dbraw/zinc/34/08/31/659340831.db2.gz VVPRNDPUPMYGGK-UHFFFAOYSA-N 1 0 376.475 1.040 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903564641 659342520 /nfs/dbraw/zinc/34/25/20/659342520.db2.gz DPURURMWUJSYOC-DVVUODLYSA-N 1 0 379.251 1.768 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903564312 659342571 /nfs/dbraw/zinc/34/25/71/659342571.db2.gz VJTVGXPTVRTTCJ-PPKCKEKNSA-N 1 0 379.251 1.768 20 0 GDADRO COc1ccc(S(=O)(=O)NCCN2CCC([NH3+])CC2)c(Br)c1 ZINC000903565892 659343468 /nfs/dbraw/zinc/34/34/68/659343468.db2.gz SQXARFCXVDKVRZ-UHFFFAOYSA-N 1 0 392.319 1.159 20 0 GDADRO Cc1c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cnn1-c1ccccn1 ZINC000903570524 659344602 /nfs/dbraw/zinc/34/46/02/659344602.db2.gz NTYCKLOCJFKCIR-GHMZBOCLSA-N 1 0 375.376 1.086 20 0 GDADRO CCOC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903572061 659345245 /nfs/dbraw/zinc/34/52/45/659345245.db2.gz FUZPRWKPVUQHBX-VXGBXAGGSA-N 1 0 384.351 1.513 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000903573832 659346007 /nfs/dbraw/zinc/34/60/07/659346007.db2.gz MLUNYBOPGWFPPN-LBPRGKRZSA-N 1 0 379.404 1.950 20 0 GDADRO Cn1cc(S(=O)(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1Cl ZINC000903573692 659346041 /nfs/dbraw/zinc/34/60/41/659346041.db2.gz LBWTURACVCPXSU-LRDDRELGSA-N 1 0 382.873 1.608 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903579701 659350207 /nfs/dbraw/zinc/35/02/07/659350207.db2.gz PBYWBJFDQWIHCR-CHWSQXEVSA-N 1 0 380.388 1.764 20 0 GDADRO CC(=O)Nc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1F ZINC000903579732 659350531 /nfs/dbraw/zinc/35/05/31/659350531.db2.gz PZRYUTQEMMDZRV-ZYHUDNBSSA-N 1 0 383.367 1.684 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(F)c1 ZINC000903580005 659350828 /nfs/dbraw/zinc/35/08/28/659350828.db2.gz RPPFBBMYGWFTGK-JQWIXIFHSA-N 1 0 383.367 1.684 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2cccc3c2OCCCO3)CC[C@H]1C(F)(F)F ZINC000903579936 659350861 /nfs/dbraw/zinc/35/08/61/659350861.db2.gz RFOVUVIPRWTKLL-MNOVXSKESA-N 1 0 380.388 1.748 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(F)c1 ZINC000903580006 659350881 /nfs/dbraw/zinc/35/08/81/659350881.db2.gz RPPFBBMYGWFTGK-PWSUYJOCSA-N 1 0 383.367 1.684 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c1OC ZINC000903584206 659353125 /nfs/dbraw/zinc/35/31/25/659353125.db2.gz IZPFHYJKMAEHLY-MGPLVRAMSA-N 1 0 388.873 1.637 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000903585520 659353968 /nfs/dbraw/zinc/35/39/68/659353968.db2.gz POCYVELAQXBHGU-IINYFYTJSA-N 1 0 377.388 1.689 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000903585522 659354107 /nfs/dbraw/zinc/35/41/07/659354107.db2.gz POCYVELAQXBHGU-YGRLFVJLSA-N 1 0 377.388 1.689 20 0 GDADRO CN(C)[S@@](C)(=O)=NS(=O)(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000903606053 659361122 /nfs/dbraw/zinc/36/11/22/659361122.db2.gz GOIBLZDGNSEPCT-DEOSSOPVSA-N 1 0 387.531 1.434 20 0 GDADRO CCN(CCc1nccs1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903754542 659379181 /nfs/dbraw/zinc/37/91/81/659379181.db2.gz KIQCDPFVIZCCSN-MNOVXSKESA-N 1 0 378.420 1.272 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000903800053 659381527 /nfs/dbraw/zinc/38/15/27/659381527.db2.gz HLVPGIYTFRALFB-CQSZACIVSA-N 1 0 381.274 1.457 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000903802127 659381781 /nfs/dbraw/zinc/38/17/81/659381781.db2.gz SYCDKBKFLSJULV-AWEZNQCLSA-N 1 0 397.317 1.951 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903803304 659382206 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ABQXSFZNZVORDB-RHSMWYFYSA-N 1 0 385.472 1.354 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCCOC1 ZINC001571265274 945505464 /nfs/dbraw/zinc/50/54/64/945505464.db2.gz FMSYEZBHZCCIMZ-CWRNSKLLSA-N 1 0 385.472 1.300 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CCCC[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571266575 945547019 /nfs/dbraw/zinc/54/70/19/945547019.db2.gz UJVDBGCPMBDXGD-HUUCEWRRSA-N 1 0 385.472 1.293 20 0 GDADRO CCn1cnc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571271396 945642023 /nfs/dbraw/zinc/64/20/23/945642023.db2.gz BJSASMYDFKBNGK-YPMHNXCESA-N 1 0 386.485 1.395 20 0 GDADRO Cc1nsc(C)c1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C ZINC001571271553 945644285 /nfs/dbraw/zinc/64/42/85/945644285.db2.gz DGLPLPSMZNBMAE-YGRLFVJLSA-N 1 0 386.485 1.661 20 0 GDADRO Cc1cnc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)s1 ZINC001571271596 945646013 /nfs/dbraw/zinc/64/60/13/945646013.db2.gz FJXMVPWQCXLXDT-NEPJUHHUSA-N 1 0 386.485 1.600 20 0 GDADRO Cc1ncsc1CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571271594 945646290 /nfs/dbraw/zinc/64/62/90/945646290.db2.gz FHOHWHHWEFTNOR-CYBMUJFWSA-N 1 0 386.485 1.349 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001571271709 945648920 /nfs/dbraw/zinc/64/89/20/945648920.db2.gz HYWLRUWAOKGZIJ-HOCLYGCPSA-N 1 0 386.504 1.559 20 0 GDADRO Cc1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@H]2C)c1 ZINC001571272040 945653456 /nfs/dbraw/zinc/65/34/56/945653456.db2.gz NKMHCTIAFKCMRM-OCCSQVGLSA-N 1 0 386.485 1.212 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000821268415 945661220 /nfs/dbraw/zinc/66/12/20/945661220.db2.gz WJCKCHYVMFLZQO-OCCSQVGLSA-N 1 0 375.477 1.820 20 0 GDADRO Cn1c(Cl)ncc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571275625 945711293 /nfs/dbraw/zinc/71/12/93/945711293.db2.gz ZHBXYWCFCBGESL-CYBMUJFWSA-N 1 0 386.847 1.258 20 0 GDADRO CCc1nc(CN2CCC[C@@H]([NH2+]C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000821509692 945712815 /nfs/dbraw/zinc/71/28/15/945712815.db2.gz LLGOHOMODBXGCC-CVEARBPZSA-N 1 0 398.471 1.100 20 0 GDADRO C[NH+](C)CCC1CCN([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000821584910 945725440 /nfs/dbraw/zinc/72/54/40/945725440.db2.gz XTWWHYNZGTXKEY-HNNXBMFYSA-N 1 0 389.529 1.697 20 0 GDADRO CNc1nc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000821637315 945763183 /nfs/dbraw/zinc/76/31/83/945763183.db2.gz ARRAJCCPHMXOAT-UHFFFAOYSA-N 1 0 398.496 1.713 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H]3CCCO3)C2)cc1-c1nn[nH]n1 ZINC001571280028 945795151 /nfs/dbraw/zinc/79/51/51/945795151.db2.gz ZUBCRTSEDIAGED-RBSFLKMASA-N 1 0 386.456 1.181 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571281425 945805330 /nfs/dbraw/zinc/80/53/30/945805330.db2.gz IKBJLURILCFOFX-ZYHUDNBSSA-N 1 0 387.469 1.865 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCCCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC001571281668 945810328 /nfs/dbraw/zinc/81/03/28/945810328.db2.gz LEFGKBKNJDFHPC-GFCCVEGCSA-N 1 0 387.473 1.221 20 0 GDADRO Cc1ncoc1C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571281818 945817288 /nfs/dbraw/zinc/81/72/88/945817288.db2.gz OLUWACAXDIRDIC-WCQYABFASA-N 1 0 387.469 1.913 20 0 GDADRO C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571281986 945822854 /nfs/dbraw/zinc/82/28/54/945822854.db2.gz QPXCMIFVIGFGCP-BBRMVZONSA-N 1 0 387.488 1.274 20 0 GDADRO O=C(Cc1cncs1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282085 945826256 /nfs/dbraw/zinc/82/62/56/945826256.db2.gz CWNIRVOFCIPECL-GFCCVEGCSA-N 1 0 387.444 1.396 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282129 945831460 /nfs/dbraw/zinc/83/14/60/945831460.db2.gz DUICXFFKCTZJMB-KRWDZBQOSA-N 1 0 387.463 1.179 20 0 GDADRO CCOC1CC(C[N@@H+]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2CC)C1 ZINC001571284134 945897859 /nfs/dbraw/zinc/89/78/59/945897859.db2.gz LXVKIKTXKVOFRF-TXBNBULBSA-N 1 0 387.488 1.593 20 0 GDADRO CO[C@@H](C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCC1 ZINC001571284422 945902955 /nfs/dbraw/zinc/90/29/55/945902955.db2.gz QHIZZMICLHLYOO-YOEHRIQHSA-N 1 0 387.488 1.594 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCO2)CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571287581 945976046 /nfs/dbraw/zinc/97/60/46/945976046.db2.gz FKSVCGNPTQEKFN-MRRJBJDNSA-N 1 0 388.447 1.654 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001571287802 945976968 /nfs/dbraw/zinc/97/69/68/945976968.db2.gz IFZBKRDGOTVMTA-DRPJVOAASA-N 1 0 388.447 1.750 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@H]1CCCOC1 ZINC001571288486 945988156 /nfs/dbraw/zinc/98/81/56/945988156.db2.gz PNBDQLQTUFYJHP-SOUVJXGZSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCOC1 ZINC001571289325 946001139 /nfs/dbraw/zinc/00/11/39/946001139.db2.gz ZRENXRGCVYTBOI-ODYMNIRHSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@]1(NC(=O)C2CCOCC2)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571289296 946002677 /nfs/dbraw/zinc/00/26/77/946002677.db2.gz ZFEKOEKKSBQAID-IBGZPJMESA-N 1 0 388.447 1.513 20 0 GDADRO CC[C@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001571289757 946018736 /nfs/dbraw/zinc/01/87/36/946018736.db2.gz LXSWUFZAXBIJNB-CVEARBPZSA-N 1 0 388.472 1.381 20 0 GDADRO O=C(NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)c1ccn(C(F)F)n1 ZINC001571291426 946076087 /nfs/dbraw/zinc/07/60/87/946076087.db2.gz JRKAJQCOUYADRE-UHFFFAOYSA-N 1 0 389.370 1.252 20 0 GDADRO O=C(NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CCCO1 ZINC001571298634 946224615 /nfs/dbraw/zinc/22/46/15/946224615.db2.gz BSKRJBHKPFVXNS-DZGCQCFKSA-N 1 0 390.513 1.968 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001571300080 946271212 /nfs/dbraw/zinc/27/12/12/946271212.db2.gz UDMGSQHODWETIJ-OCCSQVGLSA-N 1 0 390.879 1.412 20 0 GDADRO COc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)SC)C2)cc1-c1nn[nH]n1 ZINC001571300171 946273839 /nfs/dbraw/zinc/27/38/39/946273839.db2.gz WGKLIVQBUSTGHR-GXTWGEPZSA-N 1 0 390.513 1.660 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000823210974 946344759 /nfs/dbraw/zinc/34/47/59/946344759.db2.gz IZMGOECUWCNDPB-UHFFFAOYSA-N 1 0 385.472 1.515 20 0 GDADRO COc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)cn1 ZINC001571304020 946354402 /nfs/dbraw/zinc/35/44/02/946354402.db2.gz VZECKAMUWPJPOF-VQFNDLOPSA-N 1 0 391.435 1.131 20 0 GDADRO NC(=O)c1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC001571304149 946359983 /nfs/dbraw/zinc/35/99/83/946359983.db2.gz ZASSTQUVFMPOEP-WKILWMFISA-N 1 0 391.435 1.016 20 0 GDADRO Cc1ncccc1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571305512 946366204 /nfs/dbraw/zinc/36/62/04/946366204.db2.gz CSNIXTMGAXUPSM-SFHVURJKSA-N 1 0 391.479 1.893 20 0 GDADRO Cc1ncccc1CC(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571305542 946368105 /nfs/dbraw/zinc/36/81/05/946368105.db2.gz DTTGUQOWSRKTDY-UHFFFAOYSA-N 1 0 391.479 1.797 20 0 GDADRO Cc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571306282 946393436 /nfs/dbraw/zinc/39/34/36/946393436.db2.gz JIHYXZZLOYTCFW-IBGZPJMESA-N 1 0 391.479 1.893 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571306271 946394655 /nfs/dbraw/zinc/39/46/55/946394655.db2.gz JDSOROAIARSWTM-IUODEOHRSA-N 1 0 391.451 1.016 20 0 GDADRO CN(CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccccc1 ZINC001571306287 946394878 /nfs/dbraw/zinc/39/48/78/946394878.db2.gz JJIUSIBJOIGHBB-SFHVURJKSA-N 1 0 391.479 1.694 20 0 GDADRO O=C(N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@]1(F)CCOC1 ZINC001571308398 946433109 /nfs/dbraw/zinc/43/31/09/946433109.db2.gz PPOASOJZEINAKC-KDOFPFPSSA-N 1 0 392.410 1.215 20 0 GDADRO O=C(N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2)[C@@]1(F)CCOC1 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PUKCKFWURRICJV-CJNGLKHVSA-N 1 0 392.467 1.136 20 0 GDADRO Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C1 ZINC001571315839 946561655 /nfs/dbraw/zinc/56/16/55/946561655.db2.gz PDSQMKCWBCAXOA-XKQJLSEDSA-N 1 0 392.467 1.673 20 0 GDADRO Cn1cnc(C(=O)N[C@@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C23CCC3)c1 ZINC001571316587 946582611 /nfs/dbraw/zinc/58/26/11/946582611.db2.gz HHPGXZYJPCBNPU-IAGOWNOFSA-N 1 0 392.467 1.431 20 0 GDADRO Cc1ccncc1CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571316645 946584126 /nfs/dbraw/zinc/58/41/26/946584126.db2.gz JEVCFRAJKAYGMS-QGZVFWFLSA-N 1 0 392.467 1.279 20 0 GDADRO O=C(Cc1ncc[nH]1)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571316647 946584386 /nfs/dbraw/zinc/58/43/86/946584386.db2.gz JFLRTGFQQHVRDY-DLBZAZTESA-N 1 0 392.467 1.398 20 0 GDADRO Cc1ccn(C)c1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001571316655 946585286 /nfs/dbraw/zinc/58/52/86/946585286.db2.gz JGKIVZDJQOWEDH-HOTGVXAUSA-N 1 0 392.467 1.484 20 0 GDADRO O=C(CCc1cncnc1)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316677 946585428 /nfs/dbraw/zinc/58/54/28/946585428.db2.gz JPKJTYVLCJTLNL-GOSISDBHSA-N 1 0 392.467 1.370 20 0 GDADRO Cc1ncncc1C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC001571316936 946592101 /nfs/dbraw/zinc/59/21/01/946592101.db2.gz QHTNYXYTJRBJNO-KRWDZBQOSA-N 1 0 392.467 1.606 20 0 GDADRO CC(C)(C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)S(C)(=O)=O ZINC000824157528 946602624 /nfs/dbraw/zinc/60/26/24/946602624.db2.gz ITMSTHSNDISEGI-UHFFFAOYSA-N 1 0 392.529 1.244 20 0 GDADRO O=C(c1ccnn1C1CCC1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317583 946614496 /nfs/dbraw/zinc/61/44/96/946614496.db2.gz NMUBKOCXSQRWKU-MRXNPFEDSA-N 1 0 392.467 1.793 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000824377653 946671769 /nfs/dbraw/zinc/67/17/69/946671769.db2.gz KHEKCOHYKBHTGF-NSHDSACASA-N 1 0 382.465 1.357 20 0 GDADRO CC(=O)N[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)C ZINC001573536333 946732486 /nfs/dbraw/zinc/73/24/86/946732486.db2.gz SVPFOGOXODESTB-SUMWQHHRSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000824708517 946907093 /nfs/dbraw/zinc/90/70/93/946907093.db2.gz YBRQCWLDQAZDFX-GJZGRUSLSA-N 1 0 396.499 1.154 20 0 GDADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H]1O ZINC000825210200 947120945 /nfs/dbraw/zinc/12/09/45/947120945.db2.gz FWBJGPIGENMTFW-ZYHUDNBSSA-N 1 0 376.486 1.448 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029799 947409070 /nfs/dbraw/zinc/40/90/70/947409070.db2.gz XAYMPAOKCNZMLL-CRAIPNDOSA-N 1 0 383.500 1.636 20 0 GDADRO C[N@@H+]1CCCC12CCN([C@@H]1CCCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000826033511 947413073 /nfs/dbraw/zinc/41/30/73/947413073.db2.gz FUMHPPYHTHPYKT-GOSISDBHSA-N 1 0 395.511 1.922 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573595119 947414915 /nfs/dbraw/zinc/41/49/15/947414915.db2.gz FPDGEYTWPDLTHU-GDBMZVCRSA-N 1 0 380.456 1.357 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC001573595167 947417197 /nfs/dbraw/zinc/41/71/97/947417197.db2.gz FZEBHBZEGQLYEV-KBXCAEBGSA-N 1 0 386.500 1.602 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001573596573 947431747 /nfs/dbraw/zinc/43/17/47/947431747.db2.gz LCULDAPWVVPADU-WBMJQRKESA-N 1 0 390.463 1.351 20 0 GDADRO COC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826133551 947445690 /nfs/dbraw/zinc/44/56/90/947445690.db2.gz NGAKCIVCCYZWDK-HNNXBMFYSA-N 1 0 381.440 1.652 20 0 GDADRO C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573599009 947450080 /nfs/dbraw/zinc/45/00/80/947450080.db2.gz UCWCJHHXBLBZFQ-OAHLLOKOSA-N 1 0 382.472 1.605 20 0 GDADRO CO[C@H]1CCC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)CC1 ZINC000826147057 947470998 /nfs/dbraw/zinc/47/09/98/947470998.db2.gz MPJGXIXTXBMFBA-HNNXBMFYSA-N 1 0 396.455 1.492 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCCO1 ZINC001573603010 947477047 /nfs/dbraw/zinc/47/70/47/947477047.db2.gz IUYWXTHTCRVXSV-CXAGYDPISA-N 1 0 390.463 1.711 20 0 GDADRO C[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[nH]n2)nc1)[NH+]1CCCCCC1 ZINC001573603711 947495231 /nfs/dbraw/zinc/49/52/31/947495231.db2.gz OTASPSKDSBANJI-OAHLLOKOSA-N 1 0 386.504 1.421 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573614392 947584230 /nfs/dbraw/zinc/58/42/30/947584230.db2.gz DVNYBJYDJPLLCF-WDEREUQCSA-N 1 0 383.378 1.745 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1-c1nn[nH]n1 ZINC000826194320 947590034 /nfs/dbraw/zinc/59/00/34/947590034.db2.gz IWVDQAGBEXAPEU-WBVHZDCISA-N 1 0 383.456 1.697 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(F)(F)F ZINC001573616518 947622629 /nfs/dbraw/zinc/62/26/29/947622629.db2.gz JEFCWUMICIFCSD-CABZTGNLSA-N 1 0 386.353 1.895 20 0 GDADRO C=Cc1ccc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)cc1 ZINC001573352121 947625845 /nfs/dbraw/zinc/62/58/45/947625845.db2.gz VNQUQQHKIRJLJC-SFHVURJKSA-N 1 0 392.463 1.732 20 0 GDADRO COc1cccc([C@@H](CNC(=O)Cc2noc(C)c2-c2nn[nH]n2)[NH+](C)C)c1 ZINC000826214510 947626404 /nfs/dbraw/zinc/62/64/04/947626404.db2.gz NTWCFPFHDBZJHN-OAHLLOKOSA-N 1 0 385.428 1.133 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573625214 947699798 /nfs/dbraw/zinc/69/97/98/947699798.db2.gz NZDHTKMKVIPARB-JSGCOSHPSA-N 1 0 384.419 1.154 20 0 GDADRO Cc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259120 947746091 /nfs/dbraw/zinc/74/60/91/947746091.db2.gz IEVCKUOXCQYKPV-QGZVFWFLSA-N 1 0 380.456 1.431 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573629245 947775171 /nfs/dbraw/zinc/77/51/71/947775171.db2.gz MUZHFEVQJCNGBB-KGLIPLIRSA-N 1 0 381.440 1.731 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573372826 947783713 /nfs/dbraw/zinc/78/37/13/947783713.db2.gz DMPDKWULXOJONC-AWEZNQCLSA-N 1 0 390.513 1.968 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573376269 947833744 /nfs/dbraw/zinc/83/37/44/947833744.db2.gz XASWHGWMABREFJ-DYVFJYSZSA-N 1 0 385.472 1.482 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001573376697 947839745 /nfs/dbraw/zinc/83/97/45/947839745.db2.gz CGYOWOHPDJODEP-CABCVRRESA-N 1 0 383.456 1.306 20 0 GDADRO CC(=O)CCCC(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573381021 947869604 /nfs/dbraw/zinc/86/96/04/947869604.db2.gz NIJIUKDDMFUGHN-UHFFFAOYSA-N 1 0 388.447 1.750 20 0 GDADRO CC(=O)CCCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573383464 947892618 /nfs/dbraw/zinc/89/26/18/947892618.db2.gz RUWDMVIRYADVHG-QGZVFWFLSA-N 1 0 384.484 1.954 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573647535 947896095 /nfs/dbraw/zinc/89/60/95/947896095.db2.gz NZLCYBXBPVEIHC-JKIFEVAISA-N 1 0 380.456 1.261 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001573647651 947898467 /nfs/dbraw/zinc/89/84/67/947898467.db2.gz RGBQXEVWZLYHOQ-IIDMSEBBSA-N 1 0 379.468 1.866 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573384434 947901097 /nfs/dbraw/zinc/90/10/97/947901097.db2.gz NBQPKUCKCZWSKJ-SAZUREKKSA-N 1 0 388.447 1.750 20 0 GDADRO C[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccc1 ZINC001573653246 947952774 /nfs/dbraw/zinc/95/27/74/947952774.db2.gz JYNXNEFISJAJHX-SWLSCSKDSA-N 1 0 385.497 1.975 20 0 GDADRO Cc1onc(CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1-c1nn[nH]n1 ZINC000826344994 948016481 /nfs/dbraw/zinc/01/64/81/948016481.db2.gz ZBZJUGIYGCLNBQ-HNNXBMFYSA-N 1 0 387.488 1.820 20 0 GDADRO Cc1onc(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1-c1nn[nH]n1 ZINC000826347850 948061009 /nfs/dbraw/zinc/06/10/09/948061009.db2.gz IYZGDUTYMKZEEJ-UHFFFAOYSA-N 1 0 381.440 1.618 20 0 GDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cccn1 ZINC001573673373 948113348 /nfs/dbraw/zinc/11/33/48/948113348.db2.gz KSCFYERQNBLVNR-AWEZNQCLSA-N 1 0 380.456 1.405 20 0 GDADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826359265 948115314 /nfs/dbraw/zinc/11/53/14/948115314.db2.gz AYSOFTIKKCVDHM-KZNAEPCWSA-N 1 0 383.456 1.222 20 0 GDADRO Cn1cc(C[N@@H+]2CCSC[C@H]2CCO)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361261 948129924 /nfs/dbraw/zinc/12/99/24/948129924.db2.gz QZKBVINZSPTUNM-MRXNPFEDSA-N 1 0 385.497 1.567 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cccs1 ZINC001573678622 948152217 /nfs/dbraw/zinc/15/22/17/948152217.db2.gz FOSIVKUPHYOEHU-QWRGUYRKSA-N 1 0 392.510 1.360 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC001573680886 948189918 /nfs/dbraw/zinc/18/99/18/948189918.db2.gz RGSNSJKWQOPKFU-WCQYABFASA-N 1 0 378.502 1.321 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C ZINC001573681002 948194300 /nfs/dbraw/zinc/19/43/00/948194300.db2.gz RMBUIHPTGYVVCF-RISCZKNCSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573681932 948216649 /nfs/dbraw/zinc/21/66/49/948216649.db2.gz ZHHHFKATVQCXJQ-AAEUAGOBSA-N 1 0 378.452 1.255 20 0 GDADRO CC(=O)N1CCC([C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC001573435268 948226519 /nfs/dbraw/zinc/22/65/19/948226519.db2.gz VDIAMORZDVZMKR-RTBURBONSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)n1cccc1 ZINC001573690828 948230806 /nfs/dbraw/zinc/23/08/06/948230806.db2.gz BTPHIQXAJYQTSG-ZDUSSCGKSA-N 1 0 383.431 1.807 20 0 GDADRO O=C(C[N@@H+]1CC[C@H](COc2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410814 948247167 /nfs/dbraw/zinc/24/71/67/948247167.db2.gz ZHSYHAQWTDTSCJ-KRWDZBQOSA-N 1 0 392.463 1.884 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccsc1 ZINC001573695696 948308668 /nfs/dbraw/zinc/30/86/68/948308668.db2.gz YMWPYIOUTJVOPO-ZYHUDNBSSA-N 1 0 392.510 1.360 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573703668 948357618 /nfs/dbraw/zinc/35/76/18/948357618.db2.gz LXXRUCNEUGJKQV-NWDGAFQWSA-N 1 0 379.415 1.886 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@H](C3OCCO3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476563 948381711 /nfs/dbraw/zinc/38/17/11/948381711.db2.gz KLGPLYFKHBLAQV-RDJZCZTQSA-N 1 0 398.467 1.447 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573705042 948389479 /nfs/dbraw/zinc/38/94/79/948389479.db2.gz VGMTWWFRBWHGMV-ZIAGYGMSSA-N 1 0 381.444 1.052 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573705039 948389941 /nfs/dbraw/zinc/38/99/41/948389941.db2.gz VGMTWWFRBWHGMV-KGLIPLIRSA-N 1 0 381.444 1.052 20 0 GDADRO OCC[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000826509439 948429149 /nfs/dbraw/zinc/42/91/49/948429149.db2.gz VXOMEPJPSGPOOC-FUHWJXTLSA-N 1 0 375.473 1.527 20 0 GDADRO c1c2c(nc(N3CCC(C[NH+]4CCOCC4)CC3)c1-c1nn[nH]n1)CCCC2 ZINC000826511972 948433838 /nfs/dbraw/zinc/43/38/38/948433838.db2.gz KRSVOAKIHREAPB-UHFFFAOYSA-N 1 0 383.500 1.689 20 0 GDADRO c1cc(C[N@@H+](CCCN2CCOCC2)Cc2ccc(-c3nn[nH]n3)cc2)ccn1 ZINC000826515947 948442353 /nfs/dbraw/zinc/44/23/53/948442353.db2.gz QMZMAIRWRNYNEG-UHFFFAOYSA-N 1 0 393.495 1.986 20 0 GDADRO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573708113 948442947 /nfs/dbraw/zinc/44/29/47/948442947.db2.gz RLQSNPBRMAZHQE-AWEZNQCLSA-N 1 0 380.456 1.657 20 0 GDADRO C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001573717757 948510470 /nfs/dbraw/zinc/51/04/70/948510470.db2.gz NDFKNSMABHOBOQ-GJZGRUSLSA-N 1 0 386.504 1.833 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CC1)[C@H]1CCCO1 ZINC001573721563 948539181 /nfs/dbraw/zinc/53/91/81/948539181.db2.gz YJQLAWVTJHUBLR-IUODEOHRSA-N 1 0 390.513 1.824 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001573727280 948553385 /nfs/dbraw/zinc/55/33/85/948553385.db2.gz LVZILBAHDOKGQJ-DEICHXMPSA-N 1 0 384.484 1.666 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1)C(F)(F)F ZINC001573736091 948612102 /nfs/dbraw/zinc/61/21/02/948612102.db2.gz HRYJZKNOGKPHPQ-ZWKOPEQDSA-N 1 0 383.378 1.721 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001573745529 948672409 /nfs/dbraw/zinc/67/24/09/948672409.db2.gz FDWGXDCXEDFRON-VYDXJSESSA-N 1 0 398.515 1.610 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573748427 948696803 /nfs/dbraw/zinc/69/68/03/948696803.db2.gz SWXVMUHEMPMNKT-QRTARXTBSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)n1cccn1 ZINC001573752273 948712203 /nfs/dbraw/zinc/71/22/03/948712203.db2.gz MGBZRFULPJTHBM-CQDKDKBSSA-N 1 0 384.419 1.200 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)[C@H]1CCCO1 ZINC001573752621 948714061 /nfs/dbraw/zinc/71/40/61/948714061.db2.gz PCDKTMZDPNYHJB-CUWKQTPXSA-N 1 0 382.468 1.228 20 0 GDADRO CC(C)[C@H](F)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574079453 948769541 /nfs/dbraw/zinc/76/95/41/948769541.db2.gz JKTWWMRPZCAEOK-XEZPLFJOSA-N 1 0 378.427 1.984 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccnn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574916607 948784059 /nfs/dbraw/zinc/78/40/59/948784059.db2.gz FKMJCJGFZJYORJ-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)c1ccccc1C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574419956 948790608 /nfs/dbraw/zinc/79/06/08/948790608.db2.gz LYSQMRWXANWSGV-CYBMUJFWSA-N 1 0 381.440 1.010 20 0 GDADRO CC(F)(F)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575224696 948792722 /nfs/dbraw/zinc/79/27/22/948792722.db2.gz QJHNCUKCPIQJPO-CQSZACIVSA-N 1 0 380.399 1.229 20 0 GDADRO CC(C)c1ccccc1C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574420363 948796581 /nfs/dbraw/zinc/79/65/81/948796581.db2.gz UCPNTSFQAGUWRV-OAHLLOKOSA-N 1 0 383.456 1.199 20 0 GDADRO CC(C)c1cccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574420304 948796751 /nfs/dbraw/zinc/79/67/51/948796751.db2.gz TTXGFDLOZISGLO-AWEZNQCLSA-N 1 0 380.456 1.718 20 0 GDADRO CC(C)[C@@H](F)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574080796 948806095 /nfs/dbraw/zinc/80/60/95/948806095.db2.gz NODQZSZBFOPHKW-DIOULYMOSA-N 1 0 378.427 1.984 20 0 GDADRO C[C@@H](CNC(=O)CCCn1cccn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574918160 948835481 /nfs/dbraw/zinc/83/54/81/948835481.db2.gz GPFWWZUGCCAATM-HNNXBMFYSA-N 1 0 382.472 1.480 20 0 GDADRO CC(F)(F)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575229456 948844623 /nfs/dbraw/zinc/84/46/23/948844623.db2.gz JDGUAOLACJUOAE-LLVKDONJSA-N 1 0 382.390 1.989 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCC1 ZINC001573762385 948855722 /nfs/dbraw/zinc/85/57/22/948855722.db2.gz VPXKDIUQMWZIFJ-AWEZNQCLSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574684424 948867600 /nfs/dbraw/zinc/86/76/00/948867600.db2.gz FZVUXNGQBQDHED-NSHDSACASA-N 1 0 392.895 1.564 20 0 GDADRO CC(C)(C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CCCCO1 ZINC001573763405 948869898 /nfs/dbraw/zinc/86/98/98/948869898.db2.gz DRYCRCUASGVHBN-XJKSGUPXSA-N 1 0 385.472 1.292 20 0 GDADRO CC(F)(F)CC(=O)NC[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575232631 948877050 /nfs/dbraw/zinc/87/70/50/948877050.db2.gz FUJXRSRHNCSOKI-NSHDSACASA-N 1 0 382.390 1.989 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574920256 948896589 /nfs/dbraw/zinc/89/65/89/948896589.db2.gz HAYCQVZMKUNMHQ-LLVKDONJSA-N 1 0 389.460 1.689 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574433357 948953475 /nfs/dbraw/zinc/95/34/75/948953475.db2.gz WBJCOAMUDMMBBU-IYBDPMFKSA-N 1 0 392.467 1.831 20 0 GDADRO CC(F)(F)CCC(=O)NC[C@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575238428 948954078 /nfs/dbraw/zinc/95/40/78/948954078.db2.gz NAJWRGLUABKXIR-GFCCVEGCSA-N 1 0 386.378 1.008 20 0 GDADRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001574089608 948962113 /nfs/dbraw/zinc/96/21/13/948962113.db2.gz GARZROWXSULVMO-DOTOQJQBSA-N 1 0 390.513 1.750 20 0 GDADRO CC(C)[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCO1 ZINC001574091337 949009908 /nfs/dbraw/zinc/00/99/08/949009908.db2.gz KELBIMSIAITRLU-DZGCQCFKSA-N 1 0 392.529 1.927 20 0 GDADRO CC(C)(C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1c[nH]cn1 ZINC001573775003 949024592 /nfs/dbraw/zinc/02/45/92/949024592.db2.gz RLEUWWIIJADKME-UHFFFAOYSA-N 1 0 380.456 1.306 20 0 GDADRO C[C@H](CNC(=O)CN1CCc2ccccc21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574927481 949045535 /nfs/dbraw/zinc/04/55/35/949045535.db2.gz JGHJVWNNTPMMRM-OAHLLOKOSA-N 1 0 391.479 1.524 20 0 GDADRO CC(C)(C(=O)NC[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573779686 949067168 /nfs/dbraw/zinc/06/71/68/949067168.db2.gz MFBYKRCRKNDINE-CQSZACIVSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@H](F)CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575248292 949070488 /nfs/dbraw/zinc/07/04/88/949070488.db2.gz QJZKICOWLYPRNJ-UGSOOPFHSA-N 1 0 375.452 1.871 20 0 GDADRO CC(C)c1nocc1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574441876 949080396 /nfs/dbraw/zinc/08/03/96/949080396.db2.gz DLTDGSXEESEZTH-UHFFFAOYSA-N 1 0 381.440 1.840 20 0 GDADRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccccc1-c1nn[nH]n1 ZINC001574093565 949111373 /nfs/dbraw/zinc/11/13/73/949111373.db2.gz SSVUSKIGCBDKSO-WBVHZDCISA-N 1 0 384.484 1.967 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574931724 949119883 /nfs/dbraw/zinc/11/98/83/949119883.db2.gz RAOMJESDXASTME-LBPRGKRZSA-N 1 0 378.502 1.872 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574931785 949125895 /nfs/dbraw/zinc/12/58/95/949125895.db2.gz SGPJACCQCRVFHW-GFCCVEGCSA-N 1 0 378.502 1.824 20 0 GDADRO CC(C)c1ocnc1C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574446584 949131543 /nfs/dbraw/zinc/13/15/43/949131543.db2.gz RWVUWXWTLGHVHH-LBPRGKRZSA-N 1 0 382.428 1.369 20 0 GDADRO C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575251394 949138385 /nfs/dbraw/zinc/13/83/85/949138385.db2.gz BMHAHUUDZIPPMA-WDEREUQCSA-N 1 0 376.440 1.190 20 0 GDADRO CC(C)(C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1c[nH]cn1 ZINC001573783012 949140403 /nfs/dbraw/zinc/14/04/03/949140403.db2.gz ZZMMKZVORRYIQH-ONEGZZNKSA-N 1 0 386.485 1.391 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)n1cccn1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575252205 949155675 /nfs/dbraw/zinc/15/56/75/949155675.db2.gz PDAUCANWJBDJAB-ZIAGYGMSSA-N 1 0 380.456 1.261 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574697892 949164453 /nfs/dbraw/zinc/16/44/53/949164453.db2.gz CYXCBAHNTQGBSJ-OLZOCXBDSA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCOCC1 ZINC001573787163 949166299 /nfs/dbraw/zinc/16/62/99/949166299.db2.gz NPNRHKVOCLZPFZ-HDJSIYSDSA-N 1 0 385.472 1.196 20 0 GDADRO CC(C)c1ocnc1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574447665 949169263 /nfs/dbraw/zinc/16/92/63/949169263.db2.gz WNYZHHFOJURLSS-AWEZNQCLSA-N 1 0 382.428 1.416 20 0 GDADRO C[C@@H](NC(=O)[C@@]1(C)CCOC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575252910 949176231 /nfs/dbraw/zinc/17/62/31/949176231.db2.gz IHLPSJFOCQXFOT-BLVKFPJESA-N 1 0 388.447 1.369 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574698500 949193998 /nfs/dbraw/zinc/19/39/98/949193998.db2.gz LTEIAJSYTKSCBK-ZIAGYGMSSA-N 1 0 381.440 1.410 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574936697 949212755 /nfs/dbraw/zinc/21/27/55/949212755.db2.gz KBFPQYLYUOVRCB-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573791494 949222188 /nfs/dbraw/zinc/22/21/88/949222188.db2.gz ARTZNHWEAMVSIR-KRWDZBQOSA-N 1 0 378.502 1.417 20 0 GDADRO C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576151510 949224518 /nfs/dbraw/zinc/22/45/18/949224518.db2.gz GCRIOWRJWBYOCH-KBUPBQIOSA-N 1 0 385.472 1.338 20 0 GDADRO C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575517300 949229053 /nfs/dbraw/zinc/22/90/53/949229053.db2.gz VASUUUSJDCXSJT-QWHCGFSZSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001575255953 949242272 /nfs/dbraw/zinc/24/22/72/949242272.db2.gz SOJQQGKRBIVKDX-ZIAGYGMSSA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)c1scnc1C(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574451801 949248674 /nfs/dbraw/zinc/24/86/74/949248674.db2.gz ZFTKNOKLWDGQFE-QWRGUYRKSA-N 1 0 386.485 1.882 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@H]([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573792503 949251034 /nfs/dbraw/zinc/25/10/34/949251034.db2.gz QAPVBDHATRJMRH-KRWDZBQOSA-N 1 0 386.500 1.698 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)Nc1ncccc1-c1nn[nH]n1 ZINC001574700270 949252245 /nfs/dbraw/zinc/25/22/45/949252245.db2.gz YOZSGWHDYGZGFE-HUUCEWRRSA-N 1 0 386.504 1.785 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCCC1 ZINC001574700034 949252797 /nfs/dbraw/zinc/25/27/97/949252797.db2.gz XYCRGNDJQXKXMN-UONOGXRCSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574701456 949258254 /nfs/dbraw/zinc/25/82/54/949258254.db2.gz ABZRRHOEDOXFEF-BFUOFWGJSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)n1cc(C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001574452528 949265634 /nfs/dbraw/zinc/26/56/34/949265634.db2.gz MFPKYIFTCWSOQH-UHFFFAOYSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@H](c1ncccn1)[N@@H+]1CC[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522544 949282329 /nfs/dbraw/zinc/28/23/29/949282329.db2.gz MOGKVSVGVKZOTB-OLZOCXBDSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@H](CN(C)C(=O)C1(c2cccnc2)CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574703028 949303695 /nfs/dbraw/zinc/30/36/95/949303695.db2.gz PELXDLXDHJDEGP-OAHLLOKOSA-N 1 0 391.479 1.930 20 0 GDADRO CC(C)CC(=O)N1CCC[C@](CO)([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574109272 949318092 /nfs/dbraw/zinc/31/80/92/949318092.db2.gz WMIQAEOHIKRPCO-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO C[C@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575259158 949324575 /nfs/dbraw/zinc/32/45/75/949324575.db2.gz MXAGJGWUSGBNLJ-KBPBESRZSA-N 1 0 383.456 1.677 20 0 GDADRO C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574703498 949331739 /nfs/dbraw/zinc/33/17/39/949331739.db2.gz VUWDBVPOEKCQNY-LBPRGKRZSA-N 1 0 375.452 1.749 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574703523 949334331 /nfs/dbraw/zinc/33/43/31/949334331.db2.gz DMTSBROEZHGKQL-LOWRVKSDSA-N 1 0 389.463 1.528 20 0 GDADRO C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)CC[NH+](C)C ZINC001576154372 949335450 /nfs/dbraw/zinc/33/54/50/949335450.db2.gz CUHBGVSJYTWALN-IFXJQAMLSA-N 1 0 386.504 1.690 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001574458277 949343214 /nfs/dbraw/zinc/34/32/14/949343214.db2.gz RUWKOLXHSNCYLG-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@H]1CCC[C@H](OCC(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576154619 949348465 /nfs/dbraw/zinc/34/84/65/949348465.db2.gz QIQIVDIYSJLKPB-BBRMVZONSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](c1cnccn1)[N@H+]1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 ZINC001575525654 949350796 /nfs/dbraw/zinc/35/07/96/949350796.db2.gz YYIQMOLSNQBIGQ-JHJVBQTASA-N 1 0 381.444 1.044 20 0 GDADRO C[C@@H]1CCCC[C@@]1(CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1ccon1 ZINC001576155297 949397510 /nfs/dbraw/zinc/39/75/10/949397510.db2.gz HTPFAOBSJCIPCK-XIKOKIGWSA-N 1 0 382.428 1.462 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574704844 949409682 /nfs/dbraw/zinc/40/96/82/949409682.db2.gz FFTLUFZDASFPNP-UKRRQHHQSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575264183 949421210 /nfs/dbraw/zinc/42/12/10/949421210.db2.gz MJUKANULLIMPPW-QWRGUYRKSA-N 1 0 376.440 1.048 20 0 GDADRO C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575264580 949428033 /nfs/dbraw/zinc/42/80/33/949428033.db2.gz PAJBVCNEQBHJTK-YOEHRIQHSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCCO1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574706801 949462177 /nfs/dbraw/zinc/46/21/77/949462177.db2.gz MWCKUFPTMOADMH-LRDDRELGSA-N 1 0 376.436 1.511 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001575266098 949469005 /nfs/dbraw/zinc/46/90/05/949469005.db2.gz XDQKHTYYHMWWSE-OLZOCXBDSA-N 1 0 387.492 1.082 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574707682 949474687 /nfs/dbraw/zinc/47/46/87/949474687.db2.gz QCKUHBSBSRSADF-MLGOLLRUSA-N 1 0 376.436 1.511 20 0 GDADRO CC(C)n1nccc1C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574469477 949480986 /nfs/dbraw/zinc/48/09/86/949480986.db2.gz FCIQQQCXUWBGJZ-UHFFFAOYSA-N 1 0 386.435 1.645 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574708469 949494307 /nfs/dbraw/zinc/49/43/07/949494307.db2.gz VPDTUNDPPHOJNA-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCC1(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574708583 949497769 /nfs/dbraw/zinc/49/77/69/949497769.db2.gz WUKVTIQNENBCHR-GWCFXTLKSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](NC(=O)CC1OCCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575267368 949502560 /nfs/dbraw/zinc/50/25/60/949502560.db2.gz IMCVFDNRPWISHH-LLVKDONJSA-N 1 0 392.485 1.018 20 0 GDADRO C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)CC[NH+](C)C ZINC001576159006 949510901 /nfs/dbraw/zinc/51/09/01/949510901.db2.gz VRZRLFAIPCUAPE-UGSOOPFHSA-N 1 0 387.492 1.085 20 0 GDADRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001574950002 949524827 /nfs/dbraw/zinc/52/48/27/949524827.db2.gz JLPUATHJLJDXFB-SWLSCSKDSA-N 1 0 376.461 1.745 20 0 GDADRO CC1(C(=O)N2CCC[C@@](CO)([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCC1 ZINC001575538683 949529194 /nfs/dbraw/zinc/52/91/94/949529194.db2.gz IXAIPPHLGDFJMS-GOSISDBHSA-N 1 0 390.513 1.562 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575872178 949539420 /nfs/dbraw/zinc/53/94/20/949539420.db2.gz HDCVZYVPPHVLQD-HIFRSBDPSA-N 1 0 384.488 1.220 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575872338 949544092 /nfs/dbraw/zinc/54/40/92/949544092.db2.gz IAZZWKFRDCUSQO-HIFRSBDPSA-N 1 0 384.488 1.220 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)COCC1CC1 ZINC001573810777 949577870 /nfs/dbraw/zinc/57/78/70/949577870.db2.gz CLPUASGMIZGHKE-OAHLLOKOSA-N 1 0 392.529 1.975 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnco1 ZINC001573810884 949580421 /nfs/dbraw/zinc/58/04/21/949580421.db2.gz FELROOIXSIIUOP-HNNXBMFYSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001574956573 949583004 /nfs/dbraw/zinc/58/30/04/949583004.db2.gz KWPIBMITINNATD-JHJVBQTASA-N 1 0 375.452 1.287 20 0 GDADRO CC1(C(=O)N2CCCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCCC1 ZINC001575544448 949583194 /nfs/dbraw/zinc/58/31/94/949583194.db2.gz CVRJQAKFLUGCPN-AWEZNQCLSA-N 1 0 385.472 1.293 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cn1ccnc1 ZINC001573810910 949583108 /nfs/dbraw/zinc/58/31/08/949583108.db2.gz FQQYHRWHMNJMEB-MRXNPFEDSA-N 1 0 382.472 1.384 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ccncn1 ZINC001573811165 949591747 /nfs/dbraw/zinc/59/17/47/949591747.db2.gz IJSQGGAITKCBSO-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cncnc1 ZINC001573811138 949591793 /nfs/dbraw/zinc/59/17/93/949591793.db2.gz IDVNCEXOKGPVSW-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@H](NC(=O)C[C@H]1CCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575270449 949592861 /nfs/dbraw/zinc/59/28/61/949592861.db2.gz ZTHXXRGELIBCAL-WCQYABFASA-N 1 0 376.486 1.434 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCOC1 ZINC001573811186 949593751 /nfs/dbraw/zinc/59/37/51/949593751.db2.gz IPXUYGXPYGAGBH-RDJZCZTQSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCOC1 ZINC001573811306 949596752 /nfs/dbraw/zinc/59/67/52/949596752.db2.gz JUZVCTAISHNNHI-CZUORRHYSA-N 1 0 390.463 1.663 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ccnnc1 ZINC001573811566 949603845 /nfs/dbraw/zinc/60/38/45/949603845.db2.gz LVALTEXWUBIVGZ-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=CCOCC1 ZINC001573811694 949603891 /nfs/dbraw/zinc/60/38/91/949603891.db2.gz MVLFKWMUDKKGLB-HNNXBMFYSA-N 1 0 390.513 1.895 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cnon1 ZINC001573812009 949611831 /nfs/dbraw/zinc/61/18/31/949611831.db2.gz PKGQVUBRHIGJMT-AWEZNQCLSA-N 1 0 388.407 1.323 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@H]1CCOC1 ZINC001573812528 949618030 /nfs/dbraw/zinc/61/80/30/949618030.db2.gz SJKCXPGXJSUSKW-IUODEOHRSA-N 1 0 392.529 1.975 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2CCOCC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575875106 949622017 /nfs/dbraw/zinc/62/20/17/949622017.db2.gz UYRCXSCBNMBJDJ-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(F)F)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576168078 949626387 /nfs/dbraw/zinc/62/63/87/949626387.db2.gz SOTOQYAHCBSBDL-QMTHXVAHSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574957779 949631907 /nfs/dbraw/zinc/63/19/07/949631907.db2.gz IGQPEFIWEXVCPT-JOTOCRJQSA-N 1 0 377.452 1.578 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001574714832 949636415 /nfs/dbraw/zinc/63/64/15/949636415.db2.gz GQGFKWOHSIECKU-LSDHHAIUSA-N 1 0 382.472 1.651 20 0 GDADRO CC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOCC1 ZINC001575548144 949661761 /nfs/dbraw/zinc/66/17/61/949661761.db2.gz QXFXANOPCLCUQB-CQSZACIVSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1 ZINC001574477733 949676374 /nfs/dbraw/zinc/67/63/74/949676374.db2.gz UNANWGFQCURNCG-BLLLJJGKSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@@H](NC(=O)CC[C@@H]1CCOC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575274147 949677907 /nfs/dbraw/zinc/67/79/07/949677907.db2.gz ZCUTWXGMDBDNHY-HUUCEWRRSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574716337 949689223 /nfs/dbraw/zinc/68/92/23/949689223.db2.gz JPPZNMNFJDCLFE-OLZOCXBDSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574959831 949718414 /nfs/dbraw/zinc/71/84/14/949718414.db2.gz UVDJZEMVFCMQHZ-AEGPPILISA-N 1 0 378.440 1.401 20 0 GDADRO C[C@H](CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001574478840 949723233 /nfs/dbraw/zinc/72/32/33/949723233.db2.gz BJIGVWAGJCSJJM-DYVFJYSZSA-N 1 0 385.472 1.292 20 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C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1n[nH]cc1F ZINC001575908881 950382660 /nfs/dbraw/zinc/38/26/60/950382660.db2.gz WSIXFFXKOCEKEK-OTYXRUKQSA-N 1 0 388.382 1.261 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cncs1 ZINC001575908923 950382783 /nfs/dbraw/zinc/38/27/83/950382783.db2.gz XDKFNUMZTQESJJ-YGRLFVJLSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nn[nH]n4)nc3)C(C)(C)C2)C1 ZINC001576197255 950384553 /nfs/dbraw/zinc/38/45/53/950384553.db2.gz MEMFNXAPYAOYIG-BBRMVZONSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cnc(Cl)s1 ZINC001574746686 950395190 /nfs/dbraw/zinc/39/51/90/950395190.db2.gz OIHLPQSOISNMFH-MRVPVSSYSA-N 1 0 380.865 1.555 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575909543 950402225 /nfs/dbraw/zinc/40/22/25/950402225.db2.gz HGBAFXPFKMFLKD-BBRMVZONSA-N 1 0 392.467 1.402 20 0 GDADRO 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/nfs/dbraw/zinc/56/55/37/950565537.db2.gz PRMVRJSKFDODRT-KGLIPLIRSA-N 1 0 385.472 1.362 20 0 GDADRO CC1CC[NH+](CC(=O)NCC2CC(Nc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576206642 950575649 /nfs/dbraw/zinc/57/56/49/950575649.db2.gz YMKLLBPEJOGCJD-UHFFFAOYSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001574754706 950583559 /nfs/dbraw/zinc/58/35/59/950583559.db2.gz OKZULYWDGDDEJX-ZDUSSCGKSA-N 1 0 382.472 1.511 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ncccc3-c3nn[nH]n3)C2)C1 ZINC001576207372 950596687 /nfs/dbraw/zinc/59/66/87/950596687.db2.gz FZTSVZWBZSSIOO-SOUVJXGZSA-N 1 0 384.488 1.300 20 0 GDADRO CC(C)(C)OCC(=O)NCC[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573870584 950598398 /nfs/dbraw/zinc/59/83/98/950598398.db2.gz JHCWPFZSKXMBPV-UHFFFAOYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575918775 950600037 /nfs/dbraw/zinc/60/00/37/950600037.db2.gz 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C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)COc1ccsc1 ZINC001575923522 950662952 /nfs/dbraw/zinc/66/29/52/950662952.db2.gz BTGBIUHHLFJZGG-BXUZGUMPSA-N 1 0 385.453 1.225 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]c2ncccc12 ZINC001575923574 950664769 /nfs/dbraw/zinc/66/47/69/950664769.db2.gz CEIYQRQDPSEKCF-XHDPSFHLSA-N 1 0 389.423 1.275 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCn1cccc1 ZINC001575925861 950693669 /nfs/dbraw/zinc/69/36/69/950693669.db2.gz VPLQLCXBMIFHDM-GOEBONIOSA-N 1 0 380.456 1.367 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574761169 950697721 /nfs/dbraw/zinc/69/77/21/950697721.db2.gz RTAJQRUGJZYOJD-NSHDSACASA-N 1 0 388.863 1.504 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574762522 950709533 /nfs/dbraw/zinc/70/95/33/950709533.db2.gz YPLKMYGWOKSOMC-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573878629 950718548 /nfs/dbraw/zinc/71/85/48/950718548.db2.gz XHFXXYQAKJFKQZ-GZBFAFLISA-N 1 0 390.463 1.255 20 0 GDADRO C[C@H](Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CC[C@@H](C)C1)[NH+](C)C ZINC001576215956 950720530 /nfs/dbraw/zinc/72/05/30/950720530.db2.gz XANGYDAZORJBEX-ZIAGYGMSSA-N 1 0 381.488 1.922 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574763606 950723341 /nfs/dbraw/zinc/72/33/41/950723341.db2.gz GITBIAOYHOUBJD-ZDUSSCGKSA-N 1 0 386.435 1.283 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncc1 ZINC001575927764 950756113 /nfs/dbraw/zinc/75/61/13/950756113.db2.gz UBENQMPKKWEMPN-XJKSGUPXSA-N 1 0 378.440 1.113 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1cncs1 ZINC001575928130 950777485 /nfs/dbraw/zinc/77/74/85/950777485.db2.gz YZBNRBAYTWRVEY-FZMZJTMJSA-N 1 0 384.469 1.174 20 0 GDADRO C[C@@H](C[N@H+](C)C[C@H](O)c1ccc(F)cc1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765281 950782730 /nfs/dbraw/zinc/78/27/30/950782730.db2.gz BCHVGQNHKPSTDL-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C1CCOCC1 ZINC001574523150 950805789 /nfs/dbraw/zinc/80/57/89/950805789.db2.gz MKEGDEDFDBXRPQ-CHWSQXEVSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574186506 950810980 /nfs/dbraw/zinc/81/09/80/950810980.db2.gz FLXDHHMNDKMAJW-YOEHRIQHSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575933405 950838093 /nfs/dbraw/zinc/83/80/93/950838093.db2.gz ORHNTJBRQPIGJW-NHYWBVRUSA-N 1 0 388.451 1.144 20 0 GDADRO C[C@H](C[N@H+](C)C[C@H](O)C1CCCCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574768310 950884698 /nfs/dbraw/zinc/88/46/98/950884698.db2.gz UEBAQPDXCFUWRY-WBMJQRKESA-N 1 0 375.477 1.186 20 0 GDADRO CC(C)c1ocnc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527657 950898863 /nfs/dbraw/zinc/89/88/63/950898863.db2.gz FNIOVIRGCUKFHT-NWDGAFQWSA-N 1 0 386.460 1.993 20 0 GDADRO CC(C)c1ocnc1C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527656 950901163 /nfs/dbraw/zinc/90/11/63/950901163.db2.gz FNIOVIRGCUKFHT-NEPJUHHUSA-N 1 0 386.460 1.993 20 0 GDADRO C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576227465 950912329 /nfs/dbraw/zinc/91/23/29/950912329.db2.gz CWLPCDNJGNYRSY-CZUORRHYSA-N 1 0 388.447 1.322 20 0 GDADRO C[C@H]1[C@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575936594 950916001 /nfs/dbraw/zinc/91/60/01/950916001.db2.gz GNZNKUYPWXVOGF-DZGCQCFKSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ncccc1O ZINC001574527992 950917031 /nfs/dbraw/zinc/91/70/31/950917031.db2.gz JNFPVKQZSYWPFB-GHMZBOCLSA-N 1 0 387.469 1.716 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574528008 950917738 /nfs/dbraw/zinc/91/77/38/950917738.db2.gz JTJFDBJXTLYEMC-NEPJUHHUSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc2n(n1)CCC2 ZINC001574528072 950924639 /nfs/dbraw/zinc/92/46/39/950924639.db2.gz KPWZYRPYSKIJRQ-NEPJUHHUSA-N 1 0 383.460 1.024 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnccn1 ZINC001574528172 950929048 /nfs/dbraw/zinc/92/90/48/950929048.db2.gz LTPYRUVNMHWJIZ-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ncccc1O ZINC001574528638 950938075 /nfs/dbraw/zinc/93/80/75/950938075.db2.gz NVAHAJZFQCNNOR-CHWSQXEVSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cnn(C)c1 ZINC001574528905 950941676 /nfs/dbraw/zinc/94/16/76/950941676.db2.gz OONHQRVJVUIFMT-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC001575016978 950968053 /nfs/dbraw/zinc/96/80/53/950968053.db2.gz DYUAEKRIWMHRES-ZDUSSCGKSA-N 1 0 391.439 1.289 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccc(=O)[nH]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574530169 950969134 /nfs/dbraw/zinc/96/91/34/950969134.db2.gz SUQHNQJLKKSORV-OLZOCXBDSA-N 1 0 381.440 1.654 20 0 GDADRO CC(C)(CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001573898356 950980992 /nfs/dbraw/zinc/98/09/92/950980992.db2.gz ZYGUDKAVZWVTSI-CQSZACIVSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576229877 950983379 /nfs/dbraw/zinc/98/33/79/950983379.db2.gz ONJGOCSTBWDRJR-HIFRSBDPSA-N 1 0 385.472 1.007 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575644736 950994281 /nfs/dbraw/zinc/99/42/81/950994281.db2.gz WQBIMWWXRQFYOR-JSGCOSHPSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575017409 950994484 /nfs/dbraw/zinc/99/44/84/950994484.db2.gz FHGMTAXRVBCLFZ-GFCCVEGCSA-N 1 0 380.456 1.607 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccsn1 ZINC001574774606 951005881 /nfs/dbraw/zinc/00/58/81/951005881.db2.gz DSUIXSCOYSSOHG-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCc1ccc2c(c1)CCO2 ZINC001575019401 951038513 /nfs/dbraw/zinc/03/85/13/951038513.db2.gz UKSUZTSVDSIUQC-GFCCVEGCSA-N 1 0 381.440 1.080 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2ncn(C)c21)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575028168 951169332 /nfs/dbraw/zinc/16/93/32/951169332.db2.gz LVXVLHYNBCOBIZ-LBPRGKRZSA-N 1 0 391.439 1.403 20 0 GDADRO C[C@@H](CNC(=O)c1cccc(N(C)C)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575028138 951169878 /nfs/dbraw/zinc/16/98/78/951169878.db2.gz LDZHKPAZXYIPNX-AWEZNQCLSA-N 1 0 379.468 1.841 20 0 GDADRO C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575035827 951284577 /nfs/dbraw/zinc/28/45/77/951284577.db2.gz MJBSRYZPMFBOTQ-LBPRGKRZSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@H](CNC(=O)c1ccn(C(F)F)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575036520 951294891 /nfs/dbraw/zinc/29/48/91/951294891.db2.gz UCYHHQXGSBAECS-MRVPVSSYSA-N 1 0 382.400 1.428 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@@H](C)[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001575037897 951313162 /nfs/dbraw/zinc/31/31/62/951313162.db2.gz FCJGISCWFJLWPA-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](CNC(=O)c1ccsn1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575038446 951318565 /nfs/dbraw/zinc/31/85/65/951318565.db2.gz JCULJSOHOBQTLC-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1ccsn1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575038921 951325919 /nfs/dbraw/zinc/32/59/19/951325919.db2.gz NEIFHEXMZAORNZ-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1cnc(Cl)n1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575042757 951371044 /nfs/dbraw/zinc/37/10/44/951371044.db2.gz BJCQHFQVLZIQMC-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575047151 951451723 /nfs/dbraw/zinc/45/17/23/951451723.db2.gz XZSHZJYOOGUWDP-LLVKDONJSA-N 1 0 384.419 1.057 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575054218 951488974 /nfs/dbraw/zinc/48/89/74/951488974.db2.gz XPDZIJXVWBXDGN-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cnsn1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575055052 951498069 /nfs/dbraw/zinc/49/80/69/951498069.db2.gz MOGKPRYLCBJZOI-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](CNC(=O)c1cnoc1C1CC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575055497 951508465 /nfs/dbraw/zinc/50/84/65/951508465.db2.gz VVANBZDTPPMKBD-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1coc(C(F)F)c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056202 951517870 /nfs/dbraw/zinc/51/78/70/951517870.db2.gz GNEDQCSCTZRJMX-VIFPVBQESA-N 1 0 377.355 1.692 20 0 GDADRO C[C@H](CNC(=O)c1coc(C2CC2)n1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575056620 951521303 /nfs/dbraw/zinc/52/13/03/951521303.db2.gz JVVIRHOTQNKOMP-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1ncc(F)cc1F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575062420 951569014 /nfs/dbraw/zinc/56/90/14/951569014.db2.gz VWOASPBROQCIPN-VIFPVBQESA-N 1 0 391.357 1.587 20 0 GDADRO C[C@H](CNC(=O)c1nccs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067189 951603963 /nfs/dbraw/zinc/60/39/63/951603963.db2.gz JUUKSEPHJKKJPX-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1ncoc1C1CC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067645 951618227 /nfs/dbraw/zinc/61/82/27/951618227.db2.gz WVUMPKXDMZYXLN-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C(F)F)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575067769 951621014 /nfs/dbraw/zinc/62/10/14/951621014.db2.gz YKILSOPIYZTOSY-VIFPVBQESA-N 1 0 377.355 1.700 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077368 951667575 /nfs/dbraw/zinc/66/75/75/951667575.db2.gz GFTZILMUZAKGRC-QWHCGFSZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575077532 951670756 /nfs/dbraw/zinc/67/07/56/951670756.db2.gz GDIIUTPZDVUHKJ-DIFFPNOSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@H](C[NH2+]C[C@@H](O)C1CCCCC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575078009 951676435 /nfs/dbraw/zinc/67/64/35/951676435.db2.gz JDMFTKGBIJPADZ-BLLLJJGKSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)c1cn[nH]c1)C1CC1 ZINC001575078254 951679744 /nfs/dbraw/zinc/67/97/44/951679744.db2.gz KNHGAXZFEOEBBL-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@@H](CNC(=O)C[C@H]1CCCCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078667 951683968 /nfs/dbraw/zinc/68/39/68/951683968.db2.gz LIUDUOULGTVYJJ-CZUORRHYSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078836 951684102 /nfs/dbraw/zinc/68/41/02/951684102.db2.gz ANWCRVKTCMTSGG-GXTWGEPZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)c1cn[nH]c1)C1CC1 ZINC001575079485 951692227 /nfs/dbraw/zinc/69/22/27/951692227.db2.gz FHSLAJVBYQCDOA-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCCO1 ZINC001575080028 951701884 /nfs/dbraw/zinc/70/18/84/951701884.db2.gz JJMRTDRAFCJEGX-MLGOLLRUSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)c1ccon1)C1CC1 ZINC001575080409 951708709 /nfs/dbraw/zinc/70/87/09/951708709.db2.gz LBUMYENNUSSVLU-SFHVURJKSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088872 951743162 /nfs/dbraw/zinc/74/31/62/951743162.db2.gz CHIJUMDZKGZRPK-KUHUBIRLSA-N 1 0 392.463 1.712 20 0 GDADRO C[C@@H](CNC(=O)c1ccns1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090524 951759880 /nfs/dbraw/zinc/75/98/80/951759880.db2.gz LLRKPXMIEHNBTM-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090693 951763693 /nfs/dbraw/zinc/76/36/93/951763693.db2.gz NJLNWMVZOUGBDD-SECBINFHSA-N 1 0 391.432 1.324 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1cncnc1)C1CC1 ZINC001575090748 951764692 /nfs/dbraw/zinc/76/46/92/951764692.db2.gz LOUPDEIFCNINSL-LJQANCHMSA-N 1 0 378.440 1.345 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575090954 951766062 /nfs/dbraw/zinc/76/60/62/951766062.db2.gz ONNCSKFOQKYUBQ-KRWDZBQOSA-N 1 0 386.485 1.199 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1cccnc1)C1CC1 ZINC001575091289 951773292 /nfs/dbraw/zinc/77/32/92/951773292.db2.gz PYRAAFLSXAUNAF-FQEVSTJZSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@H](CNC(=O)C1(c2cccnc2)CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091587 951778664 /nfs/dbraw/zinc/77/86/64/951778664.db2.gz SJNZWPPEWGUWOK-HNNXBMFYSA-N 1 0 391.479 1.835 20 0 GDADRO C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092174 951790930 /nfs/dbraw/zinc/79/09/30/951790930.db2.gz AQSAFVQQAZXMLK-CYBMUJFWSA-N 1 0 379.468 1.839 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnoc1C1CC1 ZINC001575092280 951793655 /nfs/dbraw/zinc/79/36/55/951793655.db2.gz BSRAQFFTWHJPJN-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092581 951794864 /nfs/dbraw/zinc/79/48/64/951794864.db2.gz FNOYYECIYIHUOW-GFCCVEGCSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C[C@H](C)n1cccn1 ZINC001575092584 951795218 /nfs/dbraw/zinc/79/52/18/951795218.db2.gz FRTBKIKEDMQOPT-GJZGRUSLSA-N 1 0 382.472 1.651 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575093407 951798833 /nfs/dbraw/zinc/79/88/33/951798833.db2.gz INDYRCRDPKIIBT-CQSZACIVSA-N 1 0 387.488 1.062 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575094825 951807728 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ZINC001571142676 952645077 /nfs/dbraw/zinc/64/50/77/952645077.db2.gz VDSJYHHKNOSWNJ-HNNXBMFYSA-N 1 0 378.440 1.299 20 0 GDADRO O=C(c1conc1C1CC1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571147562 952662470 /nfs/dbraw/zinc/66/24/70/952662470.db2.gz NSKWQSWVFWSPRO-CQSZACIVSA-N 1 0 379.424 1.736 20 0 GDADRO O=C(c1cccc(=O)[nH]1)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571148235 952666189 /nfs/dbraw/zinc/66/61/89/952666189.db2.gz WJFVXMRSWMCTFN-AWEZNQCLSA-N 1 0 379.424 1.219 20 0 GDADRO Cc1c(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)ccn1C ZINC001571150401 952667232 /nfs/dbraw/zinc/66/72/32/952667232.db2.gz ACPGHVKSJSXATQ-QGZVFWFLSA-N 1 0 379.468 1.908 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571151834 952679213 /nfs/dbraw/zinc/67/92/13/952679213.db2.gz YNVZQGRKSICWHK-GDBMZVCRSA-N 1 0 379.468 1.703 20 0 GDADRO CN(C(=O)[C@@H]1CC1(F)F)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571152883 952684014 /nfs/dbraw/zinc/68/40/14/952684014.db2.gz KELNPWNGCNQDLS-YIZWMMSDSA-N 1 0 380.374 1.740 20 0 GDADRO O=C(N[C@]12CCC[C@@H]1[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)CC2)C(F)F ZINC001571152670 952684058 /nfs/dbraw/zinc/68/40/58/952684058.db2.gz JSPRUKSCGSIKMT-GUYCJALGSA-N 1 0 380.374 1.884 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3conc3C3CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571158330 952710892 /nfs/dbraw/zinc/71/08/92/952710892.db2.gz HKRFWUATKDQXEU-LBPRGKRZSA-N 1 0 380.412 1.184 20 0 GDADRO C[C@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571166718 952763668 /nfs/dbraw/zinc/76/36/68/952763668.db2.gz OZACGJOWYHOWRG-BBRMVZONSA-N 1 0 380.456 1.159 20 0 GDADRO CCc1nc[nH]c1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571167160 952770535 /nfs/dbraw/zinc/77/05/35/952770535.db2.gz WVJNLENMRVNFBA-OAHLLOKOSA-N 1 0 380.456 1.547 20 0 GDADRO C[C@@H](NC(=O)c1ncc[nH]1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571169347 952772773 /nfs/dbraw/zinc/77/27/73/952772773.db2.gz AKOPJKKGUFBJQG-CYBMUJFWSA-N 1 0 380.456 1.620 20 0 GDADRO Cc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001571169430 952773664 /nfs/dbraw/zinc/77/36/64/952773664.db2.gz CEVVCYZIYGTHIM-CZUORRHYSA-N 1 0 380.456 1.994 20 0 GDADRO CCn1cc(CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571169507 952775088 /nfs/dbraw/zinc/77/50/88/952775088.db2.gz FENOHVGJHLKFIX-QGZVFWFLSA-N 1 0 380.456 1.016 20 0 GDADRO CCn1cccc1C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571169752 952778282 /nfs/dbraw/zinc/77/82/82/952778282.db2.gz LXSANJUPSZUNES-ZIAGYGMSSA-N 1 0 380.456 1.585 20 0 GDADRO Cc1c[nH]nc1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571169751 952778331 /nfs/dbraw/zinc/77/83/31/952778331.db2.gz LTRXQSOLRRKFAU-UHFFFAOYSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1cnn(C)c1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169871 952779294 /nfs/dbraw/zinc/77/92/94/952779294.db2.gz PNYAUZCBIMOFKY-MRXNPFEDSA-N 1 0 380.456 1.303 20 0 GDADRO Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1C ZINC001571169805 952779430 /nfs/dbraw/zinc/77/94/30/952779430.db2.gz NZRNTRVUUBBCHR-HIFRSBDPSA-N 1 0 380.456 1.681 20 0 GDADRO CCn1ccnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571170089 952782525 /nfs/dbraw/zinc/78/25/25/952782525.db2.gz SQSKRVRRTRENRD-CZUORRHYSA-N 1 0 380.456 1.333 20 0 GDADRO Cn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571170080 952782926 /nfs/dbraw/zinc/78/29/26/952782926.db2.gz SOBKSBMDMMLPOE-AWEZNQCLSA-N 1 0 380.456 1.194 20 0 GDADRO Cc1ccn(C)c1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571170550 952786751 /nfs/dbraw/zinc/78/67/51/952786751.db2.gz WIPWQXLDBJHMES-CQSZACIVSA-N 1 0 380.456 1.616 20 0 GDADRO Cc1c[nH]c(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571170619 952786990 /nfs/dbraw/zinc/78/69/90/952786990.db2.gz XGUCFKOMDNNNDK-WBMJQRKESA-N 1 0 380.456 1.396 20 0 GDADRO Cc1ncn(C)c1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171728 952796675 /nfs/dbraw/zinc/79/66/75/952796675.db2.gz FGWLXPSMCKKKDZ-OAHLLOKOSA-N 1 0 380.456 1.161 20 0 GDADRO Cc1nccn1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171774 952796872 /nfs/dbraw/zinc/79/68/72/952796872.db2.gz GHWLRALQRHRMCB-INIZCTEOSA-N 1 0 380.456 1.010 20 0 GDADRO Cn1cncc1C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571171890 952799213 /nfs/dbraw/zinc/79/92/13/952799213.db2.gz HQXGJOZKYJYDMZ-UHFFFAOYSA-N 1 0 380.456 1.242 20 0 GDADRO O=C(c1ncc[nH]1)N1CCCCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172140 952803163 /nfs/dbraw/zinc/80/31/63/952803163.db2.gz NPQRRNCARUVLIS-OAHLLOKOSA-N 1 0 380.456 1.764 20 0 GDADRO Cn1cncc1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172350 952804893 /nfs/dbraw/zinc/80/48/93/952804893.db2.gz SZFWXDSTICBONA-AWEZNQCLSA-N 1 0 380.456 1.242 20 0 GDADRO F[C@H]1C[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3Br)CC[N@@H+]2C1 ZINC001571172299 952806021 /nfs/dbraw/zinc/80/60/21/952806021.db2.gz SHLAMESPOOSTCB-STQMWFEESA-N 1 0 381.253 1.857 20 0 GDADRO Cn1cnc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571172867 952810473 /nfs/dbraw/zinc/81/04/73/952810473.db2.gz ZVIIMFIGEFSNIL-INIZCTEOSA-N 1 0 380.456 1.385 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571178197 952835786 /nfs/dbraw/zinc/83/57/86/952835786.db2.gz AYGHWVHBIJDADY-OLZOCXBDSA-N 1 0 381.415 1.643 20 0 GDADRO O=C(NCc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571179374 952851616 /nfs/dbraw/zinc/85/16/16/952851616.db2.gz CBJXNEZTYNDKPY-HNNXBMFYSA-N 1 0 381.440 1.251 20 0 GDADRO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)no1 ZINC001571180454 952859856 /nfs/dbraw/zinc/85/98/56/952859856.db2.gz OPQKZISIXQLZRC-MRXNPFEDSA-N 1 0 381.440 1.948 20 0 GDADRO Cc1cc(N[C@H]2CCC[C@H](NC(=O)Cc3ccoc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180574 952860456 /nfs/dbraw/zinc/86/04/56/952860456.db2.gz QTQTXOCUHMKBST-GJZGRUSLSA-N 1 0 381.440 1.667 20 0 GDADRO Cc1nocc1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571181758 952864512 /nfs/dbraw/zinc/86/45/12/952864512.db2.gz YAEVZJUIBHJKRP-CQSZACIVSA-N 1 0 381.440 1.757 20 0 GDADRO Cc1cc(C(=O)N(C)C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)no1 ZINC001571181714 952864609 /nfs/dbraw/zinc/86/46/09/952864609.db2.gz XIAUQGVCVSOFMT-UHFFFAOYSA-N 1 0 381.440 1.900 20 0 GDADRO O=C(c1ccncc1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571182885 952870473 /nfs/dbraw/zinc/87/04/73/952870473.db2.gz IQQQNBWAFNHEAE-HNNXBMFYSA-N 1 0 381.415 1.795 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001571183192 952873765 /nfs/dbraw/zinc/87/37/65/952873765.db2.gz SBZPNVVMVABDDG-HOCLYGCPSA-N 1 0 381.415 1.826 20 0 GDADRO CCc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571183247 952875107 /nfs/dbraw/zinc/87/51/07/952875107.db2.gz UHKOQMKWRZYTSA-IUODEOHRSA-N 1 0 381.440 1.667 20 0 GDADRO CCN(C(=O)c1c[nH]c(C)n1)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571183858 952884274 /nfs/dbraw/zinc/88/42/74/952884274.db2.gz LCJDCFQBCCRDHR-CYBMUJFWSA-N 1 0 381.444 1.343 20 0 GDADRO CC(C)n1nccc1C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571184418 952894377 /nfs/dbraw/zinc/89/43/77/952894377.db2.gz YUWCTGFTKVICAJ-IUODEOHRSA-N 1 0 381.444 1.034 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@H](C)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571185270 952901041 /nfs/dbraw/zinc/90/10/41/952901041.db2.gz KGGLCPYVJHKSMO-DGCLKSJQSA-N 1 0 381.444 1.328 20 0 GDADRO Cc1[nH]nc(C(=O)NC[C@H]2CCCN2c2cc(C)[nH+]cc2-c2nn[nH]n2)c1C ZINC001571187792 952910152 /nfs/dbraw/zinc/91/01/52/952910152.db2.gz CATCWZYBPUOBKP-CYBMUJFWSA-N 1 0 381.444 1.309 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)c3ccn(C)n3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188144 952912366 /nfs/dbraw/zinc/91/23/66/952912366.db2.gz GSWRIHDRBNBBQB-GXTWGEPZSA-N 1 0 381.444 1.091 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)ncn1 ZINC001571188900 952921728 /nfs/dbraw/zinc/92/17/28/952921728.db2.gz PDJZNIBCPNBJKD-HNNXBMFYSA-N 1 0 381.444 1.078 20 0 GDADRO Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)cn1 ZINC001571189124 952925720 /nfs/dbraw/zinc/92/57/20/952925720.db2.gz MNSKOCHBISAZOB-SHTZXODSSA-N 1 0 381.444 1.124 20 0 GDADRO Cc1nnccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571196908 952984587 /nfs/dbraw/zinc/98/45/87/952984587.db2.gz POVFBHVVAGSHEH-JOCQHMNTSA-N 1 0 382.403 1.155 20 0 GDADRO O=C(c1cncnc1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571199973 953006379 /nfs/dbraw/zinc/00/63/79/953006379.db2.gz FWRSSOPDWGUKBO-AWEZNQCLSA-N 1 0 382.403 1.190 20 0 GDADRO CC(C)c1oncc1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571201119 953015290 /nfs/dbraw/zinc/01/52/90/953015290.db2.gz MZFIKHPRRFDHJY-GFCCVEGCSA-N 1 0 382.428 1.512 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)[C@@H](C)C2)no1 ZINC001571201352 953017702 /nfs/dbraw/zinc/01/77/02/953017702.db2.gz KOOYVRXFUYBVFX-AAEUAGOBSA-N 1 0 382.428 1.190 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)on1 ZINC001571201633 953018802 /nfs/dbraw/zinc/01/88/02/953018802.db2.gz MAWXZLLATHIEBV-GXTWGEPZSA-N 1 0 382.428 1.381 20 0 GDADRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001571201999 953022231 /nfs/dbraw/zinc/02/22/31/953022231.db2.gz UGTYYNQOGQFLFJ-UHIISALHSA-N 1 0 382.428 1.391 20 0 GDADRO Cc1conc1C(=O)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571202111 953023254 /nfs/dbraw/zinc/02/32/54/953023254.db2.gz RBPDXGAYCPFSBW-JOCQHMNTSA-N 1 0 382.428 1.381 20 0 GDADRO Cc1conc1C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202546 953026286 /nfs/dbraw/zinc/02/62/86/953026286.db2.gz UREBLLILLVCIMM-CYBMUJFWSA-N 1 0 382.428 1.465 20 0 GDADRO Cc1conc1C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202549 953026423 /nfs/dbraw/zinc/02/64/23/953026423.db2.gz UREBLLILLVCIMM-ZDUSSCGKSA-N 1 0 382.428 1.465 20 0 GDADRO Cc1oncc1C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@]2(C)C1 ZINC001571205367 953037525 /nfs/dbraw/zinc/03/75/25/953037525.db2.gz IEYLUPRIGOWOEX-ACJLOTCBSA-N 1 0 382.428 1.085 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571209980 953069301 /nfs/dbraw/zinc/06/93/01/953069301.db2.gz KPRKRJPAHIISBD-KURKYZTESA-N 1 0 382.468 1.515 20 0 GDADRO O=C(NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCCO1)[C@@H]1CC12CC2 ZINC001571209986 953069746 /nfs/dbraw/zinc/06/97/46/953069746.db2.gz KSBZPGBUBRBUIS-SJORKVTESA-N 1 0 382.468 1.374 20 0 GDADRO C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571210580 953072721 /nfs/dbraw/zinc/07/27/21/953072721.db2.gz SVTRVDSTTRGNDF-JOYOIKCWSA-N 1 0 382.440 1.910 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1C[C@@]12CCOC2 ZINC001571213219 953093470 /nfs/dbraw/zinc/09/34/70/953093470.db2.gz PUFQQNCAQBWVRZ-DZIWXPPMSA-N 1 0 382.468 1.278 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccon3)C2)cc1-c1nn[nH]n1 ZINC001571219723 953126454 /nfs/dbraw/zinc/12/64/54/953126454.db2.gz QYZNIWMUUIXUEZ-BETUJISGSA-N 1 0 383.412 1.162 20 0 GDADRO COc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)[C@H]2C)on1 ZINC001571219714 953126659 /nfs/dbraw/zinc/12/66/59/953126659.db2.gz QRXBSYVZUQFIPT-BXUZGUMPSA-N 1 0 383.412 1.256 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cocn3)C2)cc1-c1nn[nH]n1 ZINC001571220119 953128351 /nfs/dbraw/zinc/12/83/51/953128351.db2.gz XMFBCXASFSZWDS-JOCQHMNTSA-N 1 0 383.412 1.162 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571229464 953170039 /nfs/dbraw/zinc/17/00/39/953170039.db2.gz FWABCPHQJAAXOQ-PXAZEXFGSA-N 1 0 383.431 1.595 20 0 GDADRO Cn1cccc1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571229727 953171191 /nfs/dbraw/zinc/17/11/91/953171191.db2.gz LIOKXTWNNXNMGI-AWEZNQCLSA-N 1 0 383.431 1.596 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(CF)cc2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571230109 953173824 /nfs/dbraw/zinc/17/38/24/953173824.db2.gz RWSBBUODQRJULW-UHFFFAOYSA-N 1 0 383.431 1.963 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CN1C(=O)c1cccn1C ZINC001571230122 953173886 /nfs/dbraw/zinc/17/38/86/953173886.db2.gz SAULSJFVOMWSIP-WFASDCNBSA-N 1 0 383.431 1.737 20 0 GDADRO Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)CC[C@H]2CCCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232141 953186108 /nfs/dbraw/zinc/18/61/08/953186108.db2.gz BUEZFNXKJWATCW-SOUVJXGZSA-N 1 0 383.456 1.319 20 0 GDADRO O=C(CCc1cscn1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234232 953199583 /nfs/dbraw/zinc/19/95/83/953199583.db2.gz QKCKDADTWOMVLT-HNNXBMFYSA-N 1 0 383.481 1.647 20 0 GDADRO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)nn1C ZINC001571234476 953202174 /nfs/dbraw/zinc/20/21/74/953202174.db2.gz ZEMAAMCEFWEIDW-JOCQHMNTSA-N 1 0 383.460 1.068 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)Cc1ccco1 ZINC001571238777 953232417 /nfs/dbraw/zinc/23/24/17/953232417.db2.gz AGNFABHVHUUQKJ-WFASDCNBSA-N 1 0 384.415 1.921 20 0 GDADRO Cc1[nH]nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)c1C ZINC001571238896 953234082 /nfs/dbraw/zinc/23/40/82/953234082.db2.gz BUIINBHMZUDHSX-BETUJISGSA-N 1 0 384.419 1.396 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239892 953243721 /nfs/dbraw/zinc/24/37/21/953243721.db2.gz UBPVYPHWODAPOE-ZDUSSCGKSA-N 1 0 384.419 1.432 20 0 GDADRO COC(=O)[C@]12C[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]1CCCC2 ZINC001571241793 953250051 /nfs/dbraw/zinc/25/00/51/953250051.db2.gz LWDUTHNSIUYLAU-ZRGWGRIASA-N 1 0 384.440 1.058 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCN1C(=O)c1csnn1 ZINC001571244542 953263925 /nfs/dbraw/zinc/26/39/25/953263925.db2.gz ALUMOXSCFATPBJ-CQSZACIVSA-N 1 0 384.469 1.455 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCN1C(=O)c1csnn1 ZINC001571244536 953264431 /nfs/dbraw/zinc/26/44/31/953264431.db2.gz AIVSPDAHSLYZJW-CQSZACIVSA-N 1 0 384.469 1.455 20 0 GDADRO Cc1ccnc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001571245830 953277695 /nfs/dbraw/zinc/27/76/95/953277695.db2.gz ZRERPRSWUFJUSX-GFCCVEGCSA-N 1 0 384.469 1.279 20 0 GDADRO CC(C)(O)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571247640 953284219 /nfs/dbraw/zinc/28/42/19/953284219.db2.gz BHQQRWQWKXFHPZ-IRXDYDNUSA-N 1 0 384.484 1.451 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2C)s1 ZINC001571247849 953287522 /nfs/dbraw/zinc/28/75/22/953287522.db2.gz GDUBNVULAGZALF-JQWIXIFHSA-N 1 0 384.469 1.554 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1csnn1 ZINC001571247943 953288170 /nfs/dbraw/zinc/28/81/70/953288170.db2.gz JBHJGHSEHQLLJP-KGLIPLIRSA-N 1 0 384.469 1.549 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCOC1 ZINC001571247947 953288380 /nfs/dbraw/zinc/28/83/80/953288380.db2.gz JDPHTRWCXWXIFE-FOIQADDNSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H]1OCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571248240 953291458 /nfs/dbraw/zinc/29/14/58/953291458.db2.gz OMEIUTJEYJNEMV-RHSMWYFYSA-N 1 0 384.484 1.762 20 0 GDADRO CC1(C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)CCOCC1 ZINC001571248274 953291519 /nfs/dbraw/zinc/29/15/19/953291519.db2.gz PCCBGDSUJFKHCO-UHFFFAOYSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(CCc1cncs1)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571248335 953292212 /nfs/dbraw/zinc/29/22/12/953292212.db2.gz QRFRZJGFKCYIDS-UHFFFAOYSA-N 1 0 384.469 1.176 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001571248413 953293430 /nfs/dbraw/zinc/29/34/30/953293430.db2.gz STRIBYQTPGGCJT-JXFKEZNVSA-N 1 0 384.484 1.622 20 0 GDADRO CC1(C)CN(C(=O)[C@H]2CCCOC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571248490 953294249 /nfs/dbraw/zinc/29/42/49/953294249.db2.gz VNDULRWQNVNSKS-IRXDYDNUSA-N 1 0 384.484 1.620 20 0 GDADRO Cc1nocc1C[NH+]1CCC([C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571248844 953298082 /nfs/dbraw/zinc/29/80/82/953298082.db2.gz KERWBVXINKRWIC-LLVKDONJSA-N 1 0 384.444 1.522 20 0 GDADRO O=C(C[C@@H]1CCCCO1)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571249010 953299702 /nfs/dbraw/zinc/29/97/02/953299702.db2.gz AUXFCNOZRFTNIQ-IRXDYDNUSA-N 1 0 384.484 1.907 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001571249083 953300276 /nfs/dbraw/zinc/30/02/76/953300276.db2.gz CTQKJUCFZWKYCZ-UHFFFAOYSA-N 1 0 384.484 1.628 20 0 GDADRO Cc1cc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)no1 ZINC001571250299 953310702 /nfs/dbraw/zinc/31/07/02/953310702.db2.gz QLPVOSQNCGZVNS-OLZOCXBDSA-N 1 0 384.444 1.522 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571250842 953313075 /nfs/dbraw/zinc/31/30/75/953313075.db2.gz UANFETWEEGCOKG-HUUCEWRRSA-N 1 0 384.488 1.254 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001571252343 953327322 /nfs/dbraw/zinc/32/73/22/953327322.db2.gz LMGSXQKGZYADAV-IIAWOOMASA-N 1 0 384.488 1.585 20 0 GDADRO CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001571252446 953328491 /nfs/dbraw/zinc/32/84/91/953328491.db2.gz MURHOROZDGQQIP-QGZVFWFLSA-N 1 0 384.488 1.173 20 0 GDADRO Cc1nc(N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571252850 953333204 /nfs/dbraw/zinc/33/32/04/953333204.db2.gz WZVRSFMHYZAHEZ-SQWLQELKSA-N 1 0 384.488 1.361 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)NC1(C)CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571252881 953333540 /nfs/dbraw/zinc/33/35/40/953333540.db2.gz XWZDYVQYKUZANR-HNNXBMFYSA-N 1 0 384.488 1.221 20 0 GDADRO CC[C@@H](C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001571255491 953349752 /nfs/dbraw/zinc/34/97/52/953349752.db2.gz LVGVQQQLLKCMAG-BDAKNGLRSA-N 1 0 384.897 1.330 20 0 GDADRO Cc1cnoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571255852 953357865 /nfs/dbraw/zinc/35/78/65/953357865.db2.gz VEEJTVSCLRVYLK-YEORSEQZSA-N 1 0 385.403 1.600 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1cnoc1 ZINC001571256088 953362635 /nfs/dbraw/zinc/36/26/35/953362635.db2.gz XUZWVYLFXGVFJP-ZBEGNZNMSA-N 1 0 385.403 1.316 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)c1cocn1 ZINC001571256150 953363292 /nfs/dbraw/zinc/36/32/92/953363292.db2.gz ZHAWZLHSSQHOQA-ZDUSSCGKSA-N 1 0 385.403 1.778 20 0 GDADRO O=C(c1cocn1)N1CCC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571256095 953364411 /nfs/dbraw/zinc/36/44/11/953364411.db2.gz XZNIYBVIXFZPIN-ZDUSSCGKSA-N 1 0 385.403 1.636 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000874388680 956135526 /nfs/dbraw/zinc/13/55/26/956135526.db2.gz YSVUDJAXFYVXQH-SFHVURJKSA-N 1 0 388.512 1.747 20 0 GDADRO C[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000874418171 956206221 /nfs/dbraw/zinc/20/62/21/956206221.db2.gz XHNSTXVGLZLDHZ-QGZVFWFLSA-N 1 0 388.512 1.841 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C3CC[NH+](CC(=O)[O-])CC3)CC2)cc1 ZINC001334016376 961744378 /nfs/dbraw/zinc/74/43/78/961744378.db2.gz OHSDVWJHMZLHJP-UHFFFAOYSA-N 1 0 395.525 1.287 20 0 GDADRO O=C([O-])C1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC001354072258 962715720 /nfs/dbraw/zinc/71/57/20/962715720.db2.gz IZMJTTMEGBEHQL-LJQANCHMSA-N 1 0 388.512 1.597 20 0 GDADRO C[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C(=O)[O-] ZINC000564925176 968422152 /nfs/dbraw/zinc/42/21/52/968422152.db2.gz JUJNGJQCDDIRFB-FUHWJXTLSA-N 1 0 389.500 1.346 20 0 GDADRO CC(=O)c1[nH]c(CC(=O)Nc2cc(N3CCN(C)CC3)cc[nH+]2)c(C(=O)[O-])c1C ZINC001589244721 985848068 /nfs/dbraw/zinc/84/80/68/985848068.db2.gz WVQFZHWLLVMTHK-UHFFFAOYSA-N 1 0 399.451 1.552 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)O[C@H]1C(=O)[O-] ZINC001599870869 989347713 /nfs/dbraw/zinc/34/77/13/989347713.db2.gz KXXVMMFIFOGQJF-WSIUPNEHSA-N 1 0 395.544 1.660 20 0 GDADRO C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC001598220632 990897012 /nfs/dbraw/zinc/89/70/12/990897012.db2.gz QTMISXUGAHXEFB-QGZVFWFLSA-N 1 0 392.500 1.175 20 0 GDADRO C[NH+](C)CCOc1ccc(CCC(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC001598235445 990953791 /nfs/dbraw/zinc/95/37/91/990953791.db2.gz BJQPAPMABSADGA-QGZVFWFLSA-N 1 0 377.485 1.034 20 0 GDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C[C@H]1C[NH+](C)C ZINC001598246678 991007147 /nfs/dbraw/zinc/00/71/47/991007147.db2.gz UXCJGDRWGYBWOG-JSMQFAGNSA-N 1 0 395.525 1.144 20 0 GDADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C)C[C@@H](C(=O)[O-])C1 ZINC001590981257 991139617 /nfs/dbraw/zinc/13/96/17/991139617.db2.gz RXDPAYVSMRCXIX-RTBURBONSA-N 1 0 390.528 1.801 20 0 GDADRO C[C@H](NC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001593061976 993572663 /nfs/dbraw/zinc/57/26/63/993572663.db2.gz FKBCYGVGMSYANV-UHOSZYNNSA-N 1 0 388.512 1.555 20 0 GDADRO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001598616828 993899407 /nfs/dbraw/zinc/89/94/07/993899407.db2.gz KTPNAFNOLISBOP-UHFFFAOYSA-N 1 0 391.512 1.776 20 0 GDADRO COC[C@@]1(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)CCCN1C(=O)OC(C)(C)C ZINC001599199508 997278961 /nfs/dbraw/zinc/27/89/61/997278961.db2.gz WPOQSRZLSMZYDL-IBGZPJMESA-N 1 0 385.505 1.541 20 0 GDADRO C[C@H]1CN(C(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)CC[N@@H+]1CCC(=O)[O-] ZINC001594466917 999691990 /nfs/dbraw/zinc/69/19/90/999691990.db2.gz ULEKUBPFYAFUNG-ICSRJNTNSA-N 1 0 387.524 1.949 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1 ZINC000528646582 1126096154 /nfs/dbraw/zinc/09/61/54/1126096154.db2.gz SWFRIUUZWGWJDP-IBGZPJMESA-N 1 0 376.478 1.393 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(S(C)(=O)=O)o2)cc1OC ZINC000873193347 1126120858 /nfs/dbraw/zinc/12/08/58/1126120858.db2.gz OCFLPDBCCSMSCL-SFHVURJKSA-N 1 0 383.466 1.784 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(-c3nn[nH]n3)c(OC)c2)cc1 ZINC001591583600 1126215937 /nfs/dbraw/zinc/21/59/37/1126215937.db2.gz IJAPYUQNFLMOCL-FQEVSTJZSA-N 1 0 383.452 1.967 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000158343927 530532123 /nfs/dbraw/zinc/53/21/23/530532123.db2.gz DMVWXRBHGLGDDK-UHFFFAOYSA-N 1 0 382.258 1.599 20 0 GDADRO [NH3+]CCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC000158677918 530534978 /nfs/dbraw/zinc/53/49/78/530534978.db2.gz IQUQZYHCAVAGQA-UHFFFAOYSA-N 1 0 378.152 1.737 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000159016956 530539275 /nfs/dbraw/zinc/53/92/75/530539275.db2.gz XQTZTXJNRSBNKK-ILXRZTDVSA-N 1 0 385.555 1.746 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000159083176 530539965 /nfs/dbraw/zinc/53/99/65/530539965.db2.gz RBRMJTKWNLCRET-KGLIPLIRSA-N 1 0 385.555 1.991 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000159141615 530540356 /nfs/dbraw/zinc/54/03/56/530540356.db2.gz MOWRRBVXZFANMB-AWEZNQCLSA-N 1 0 388.559 1.284 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000161712621 530562859 /nfs/dbraw/zinc/56/28/59/530562859.db2.gz SMLQMYHAMISYAK-ZDUSSCGKSA-N 1 0 376.906 1.864 20 0 GDADRO COCCC(=O)N1CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000162284644 530566983 /nfs/dbraw/zinc/56/69/83/530566983.db2.gz WGONCJCZJRSWBR-MRXNPFEDSA-N 1 0 398.301 1.593 20 0 GDADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000162400379 530568072 /nfs/dbraw/zinc/56/80/72/530568072.db2.gz BREDEQAAURVPEQ-PWSUYJOCSA-N 1 0 390.709 1.971 20 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YEIQCSWYZGEEBI-CQSZACIVSA-N 1 0 383.290 1.572 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000171608475 530601040 /nfs/dbraw/zinc/60/10/40/530601040.db2.gz PFYWTAQBVJNRRH-CQSZACIVSA-N 1 0 388.921 1.354 20 0 GDADRO NC(=O)c1cccc(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000171759000 530602745 /nfs/dbraw/zinc/60/27/45/530602745.db2.gz JOAVISMVKOUEHW-HNNXBMFYSA-N 1 0 376.254 1.907 20 0 GDADRO Cn1c(=O)cc(C[NH2+]C(C)(C)Cc2ccc(Br)cc2)n(C)c1=O ZINC000171941236 530605554 /nfs/dbraw/zinc/60/55/54/530605554.db2.gz QEVHFQQKASXSLU-UHFFFAOYSA-N 1 0 380.286 1.957 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 ZINC000172209893 530609681 /nfs/dbraw/zinc/60/96/81/530609681.db2.gz MRIWKRXXRIVLIV-GFCCVEGCSA-N 1 0 393.285 1.569 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000036300223 530613685 /nfs/dbraw/zinc/61/36/85/530613685.db2.gz OPVLVULHMHWFGX-UHFFFAOYSA-N 1 0 376.320 1.331 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)[NH+](C)C ZINC000026856401 530586611 /nfs/dbraw/zinc/58/66/11/530586611.db2.gz RVIHFXGYHGWGFK-QMMMGPOBSA-N 1 0 392.275 1.008 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[NH+](C)C ZINC000026856655 530586669 /nfs/dbraw/zinc/58/66/69/530586669.db2.gz MJASXVBBFRNEMS-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO O=C(C(=O)N1CCc2ccc(Br)cc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173221847 530626351 /nfs/dbraw/zinc/62/63/51/530626351.db2.gz XTPFJKXWYMUHES-HNNXBMFYSA-N 1 0 390.281 1.811 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000045406549 530643666 /nfs/dbraw/zinc/64/36/66/530643666.db2.gz YDXWMQIXUWSLHT-UHFFFAOYSA-N 1 0 376.567 1.420 20 0 GDADRO CCN1CC[NH+](CCCCNC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000042596452 530629826 /nfs/dbraw/zinc/62/98/26/530629826.db2.gz PCXLIOOKCMJHBG-UHFFFAOYSA-N 1 0 399.333 1.145 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000173575222 530632679 /nfs/dbraw/zinc/63/26/79/530632679.db2.gz UYONXYFRFLJEJI-LBPRGKRZSA-N 1 0 393.962 1.870 20 0 GDADRO COc1ccc(Br)cc1CC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000173726866 530635591 /nfs/dbraw/zinc/63/55/91/530635591.db2.gz QDNLZABHPNLALE-ZDUSSCGKSA-N 1 0 384.318 1.752 20 0 GDADRO CCC[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 ZINC000043607983 530635853 /nfs/dbraw/zinc/63/58/53/530635853.db2.gz PISBCOCJNBSXHW-HNNXBMFYSA-N 1 0 385.555 1.764 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000173952982 530639999 /nfs/dbraw/zinc/63/99/99/530639999.db2.gz JXTSPQSKIDRLPJ-CYBMUJFWSA-N 1 0 392.518 1.582 20 0 GDADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000176247440 530680476 /nfs/dbraw/zinc/68/04/76/530680476.db2.gz XFHLPWWVWHYXMG-UHFFFAOYSA-N 1 0 379.173 1.047 20 0 GDADRO Cc1c(C(=O)NCC[N@@H+](C)C(C)C)cc(Br)cc1S(N)(=O)=O ZINC000176300398 530681049 /nfs/dbraw/zinc/68/10/49/530681049.db2.gz YGOMGVYIHXCSBG-UHFFFAOYSA-N 1 0 392.319 1.475 20 0 GDADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCCNS(C)(=O)=O ZINC000045589206 530644493 /nfs/dbraw/zinc/64/44/93/530644493.db2.gz JDEVMRAYSUAAOU-UHFFFAOYSA-N 1 0 376.548 1.151 20 0 GDADRO CC(C)[NH+]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000045428994 530644517 /nfs/dbraw/zinc/64/45/17/530644517.db2.gz CHNSZSSBCXCEKE-UHFFFAOYSA-N 1 0 394.269 1.598 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000174990251 530657423 /nfs/dbraw/zinc/65/74/23/530657423.db2.gz QQMRVNNLEKBXHM-NWDGAFQWSA-N 1 0 391.946 1.765 20 0 GDADRO CC1CC[NH+](CCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000047383781 530658143 /nfs/dbraw/zinc/65/81/43/530658143.db2.gz KSQZTJABOKHQDL-UHFFFAOYSA-N 1 0 387.933 1.809 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC[NH+](C)CC3)C2)s1 ZINC000047615611 530661092 /nfs/dbraw/zinc/66/10/92/530661092.db2.gz QQVWLFLZUNZQSF-AWEZNQCLSA-N 1 0 385.555 1.668 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000048184990 530666154 /nfs/dbraw/zinc/66/61/54/530666154.db2.gz TVLGHWLHGNAHLZ-UHFFFAOYSA-N 1 0 376.320 1.944 20 0 GDADRO CCC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000049930781 530674542 /nfs/dbraw/zinc/67/45/42/530674542.db2.gz AMSTXLJPIFPVNR-UHFFFAOYSA-N 1 0 379.935 1.576 20 0 GDADRO O=C1NCCN1C1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000051449862 530679406 /nfs/dbraw/zinc/67/94/06/530679406.db2.gz QJDBQPHEHXMIIH-OAHLLOKOSA-N 1 0 398.301 1.678 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000177111548 530697189 /nfs/dbraw/zinc/69/71/89/530697189.db2.gz CKSHVUHSFZUEJW-UHFFFAOYSA-N 1 0 386.290 1.710 20 0 GDADRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000177408048 530702587 /nfs/dbraw/zinc/70/25/87/530702587.db2.gz ASDJUQXAOGJDMY-CQSZACIVSA-N 1 0 392.237 1.607 20 0 GDADRO CC1CC[NH+](CCNC(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC000054780277 530702567 /nfs/dbraw/zinc/70/25/67/530702567.db2.gz HFGIXWPGQTYHIL-UHFFFAOYSA-N 1 0 386.290 1.962 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177727411 530709398 /nfs/dbraw/zinc/70/93/98/530709398.db2.gz SSYJCZWTQMLIQC-GFCCVEGCSA-N 1 0 384.249 1.688 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C1CC1 ZINC000055718778 530711342 /nfs/dbraw/zinc/71/13/42/530711342.db2.gz ITHCSXFYBNEIFK-OAHLLOKOSA-N 1 0 385.555 1.532 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000177856841 530712363 /nfs/dbraw/zinc/71/23/63/530712363.db2.gz ADXIOFLNRUIXBO-GFCCVEGCSA-N 1 0 392.518 1.694 20 0 GDADRO CC(C)(C)CC[NH+]1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000056797776 530720088 /nfs/dbraw/zinc/72/00/88/530720088.db2.gz HSKVIYKLPLBRLN-UHFFFAOYSA-N 1 0 388.559 1.659 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(F)ccc1F ZINC000060348550 530736137 /nfs/dbraw/zinc/73/61/37/530736137.db2.gz NOEOIEXGYYYJNV-UHFFFAOYSA-N 1 0 378.441 1.859 20 0 GDADRO C[NH2+]C1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000179139898 530736156 /nfs/dbraw/zinc/73/61/56/530736156.db2.gz KJGGBPWUSYLMND-UHFFFAOYSA-N 1 0 382.258 1.385 20 0 GDADRO O=S(=O)(c1cccc(Br)c1)N1CCN(Cc2c[nH]cn2)CC1 ZINC000179602657 530744823 /nfs/dbraw/zinc/74/48/23/530744823.db2.gz TXHGXXPXNVHMHX-UHFFFAOYSA-N 1 0 385.287 1.679 20 0 GDADRO Cn1nnnc1SCCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061567337 530741093 /nfs/dbraw/zinc/74/10/93/530741093.db2.gz GGBJDEMTPPHJOS-UHFFFAOYSA-N 1 0 380.543 1.782 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)C1 ZINC000178550980 530722168 /nfs/dbraw/zinc/72/21/68/530722168.db2.gz QTUOJRZEJTYNFP-VIFPVBQESA-N 1 0 392.308 1.855 20 0 GDADRO O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NC[C@H]1CCC[NH2+]1 ZINC000178776612 530728427 /nfs/dbraw/zinc/72/84/27/530728427.db2.gz NPQVKOLAULCQNB-CYBMUJFWSA-N 1 0 375.288 1.232 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000178839248 530728886 /nfs/dbraw/zinc/72/88/86/530728886.db2.gz IQTAMWCJRXXUPF-JTQLQIEISA-N 1 0 394.269 1.631 20 0 GDADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)NCC[C@H]1CC[NH2+]C1 ZINC000178955561 530732247 /nfs/dbraw/zinc/73/22/47/530732247.db2.gz MOCJSUVMHNAZMO-GFCCVEGCSA-N 1 0 393.285 1.665 20 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/nfs/dbraw/zinc/74/81/13/530748113.db2.gz ZSRXNSPZMFQJIH-UHFFFAOYSA-N 1 0 386.315 1.795 20 0 GDADRO C[N@H+](CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CC1 ZINC000066924495 530770035 /nfs/dbraw/zinc/77/00/35/530770035.db2.gz RIZNRXSHKPNXDD-UHFFFAOYSA-N 1 0 380.242 1.256 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000181430793 530782814 /nfs/dbraw/zinc/78/28/14/530782814.db2.gz HTBAMTOAIASITI-UHFFFAOYSA-N 1 0 381.274 1.834 20 0 GDADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C(C)(C)COc1ncccc1Br ZINC000180395825 530765651 /nfs/dbraw/zinc/76/56/51/530765651.db2.gz XUSSRCGPLHNOJT-SNVBAGLBSA-N 1 0 387.278 1.825 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000069475675 530797934 /nfs/dbraw/zinc/79/79/34/530797934.db2.gz JDOSMGOUIXDHGA-KBPBESRZSA-N 1 0 387.933 1.855 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000182535534 530801421 /nfs/dbraw/zinc/80/14/21/530801421.db2.gz JSMXSDBMGLOFEW-LLVKDONJSA-N 1 0 377.304 1.592 20 0 GDADRO CC[NH+](CC)CCNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000070709958 530801654 /nfs/dbraw/zinc/80/16/54/530801654.db2.gz RCPQZTGZGMAMGB-UHFFFAOYSA-N 1 0 381.420 1.442 20 0 GDADRO COCCN(C(=O)C[NH2+][C@@H](C)c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000182750161 530804209 /nfs/dbraw/zinc/80/42/09/530804209.db2.gz KSDTWYVNOHLADP-DZGCQCFKSA-N 1 0 388.555 1.678 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)cnc1Br ZINC000182766511 530804586 /nfs/dbraw/zinc/80/45/86/530804586.db2.gz IABIGTUMOXMKJZ-UHFFFAOYSA-N 1 0 399.289 1.054 20 0 GDADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](O)COCc2cccs2)c1 ZINC000181934604 530793055 /nfs/dbraw/zinc/79/30/55/530793055.db2.gz AQTQVBFUSWJCKR-UKRRQHHQSA-N 1 0 384.523 1.885 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000069143725 530795777 /nfs/dbraw/zinc/79/57/77/530795777.db2.gz VSBJHDAMQPGWMZ-AWEZNQCLSA-N 1 0 387.933 1.857 20 0 GDADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000184841536 530832534 /nfs/dbraw/zinc/83/25/34/530832534.db2.gz RGBHYCFEVZWAGK-PWSUYJOCSA-N 1 0 379.262 1.559 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000078923468 530807474 /nfs/dbraw/zinc/80/74/74/530807474.db2.gz KHASNXMLJLOUHB-UHFFFAOYSA-N 1 0 388.555 1.669 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)cc1Br ZINC000183162924 530810700 /nfs/dbraw/zinc/81/07/00/530810700.db2.gz ZQMQCURBHZXLFP-LLVKDONJSA-N 1 0 390.303 1.698 20 0 GDADRO O=C(C[NH2+][C@@H]1CCCS(=O)(=O)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000183243650 530812079 /nfs/dbraw/zinc/81/20/79/530812079.db2.gz OYVZPKKJBAZKES-OAHLLOKOSA-N 1 0 385.917 1.155 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000183341857 530813255 /nfs/dbraw/zinc/81/32/55/530813255.db2.gz HVLHQODWLNODGY-NEPJUHHUSA-N 1 0 380.304 1.602 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000183341897 530813532 /nfs/dbraw/zinc/81/35/32/530813532.db2.gz HVLHQODWLNODGY-VXGBXAGGSA-N 1 0 380.304 1.602 20 0 GDADRO C[N@@H+](Cc1cnc2ccc(Br)cn12)C[C@@H](O)CN1CCOCC1 ZINC000093583056 530813816 /nfs/dbraw/zinc/81/38/16/530813816.db2.gz MVPFFIHWUIIGJH-OAHLLOKOSA-N 1 0 383.290 1.222 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000096999573 530819289 /nfs/dbraw/zinc/81/92/89/530819289.db2.gz DWMOMIBJRISOAY-LBPRGKRZSA-N 1 0 379.448 1.656 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000097028575 530819919 /nfs/dbraw/zinc/81/99/19/530819919.db2.gz XEXQJORUYVGUNE-CQSZACIVSA-N 1 0 382.507 1.986 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000183980461 530822990 /nfs/dbraw/zinc/82/29/90/530822990.db2.gz STKFJTVNFSCDPT-UHFFFAOYSA-N 1 0 392.319 1.013 20 0 GDADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000101583507 530824994 /nfs/dbraw/zinc/82/49/94/530824994.db2.gz YMWXNOQFNGTTBW-LBPRGKRZSA-N 1 0 398.301 1.931 20 0 GDADRO CC(C)(C)[C@@H](NCC(=O)Nc1ccccc1I)C(N)=O ZINC000106444677 530847954 /nfs/dbraw/zinc/84/79/54/530847954.db2.gz OQFZWJQXJVSGHH-LBPRGKRZSA-N 1 0 389.237 1.719 20 0 GDADRO CC[C@@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000106403147 530848389 /nfs/dbraw/zinc/84/83/89/530848389.db2.gz YWAJTNJVXOMQOB-CYBMUJFWSA-N 1 0 388.295 1.638 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000106895212 530850591 /nfs/dbraw/zinc/85/05/91/530850591.db2.gz PECYFKBYVVQBRR-CYBMUJFWSA-N 1 0 379.448 1.761 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000106895611 530851334 /nfs/dbraw/zinc/85/13/34/530851334.db2.gz GXZRVDWKHRZKNT-GFCCVEGCSA-N 1 0 376.320 1.363 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2csc(I)c2)CC1 ZINC000107539386 530853988 /nfs/dbraw/zinc/85/39/88/530853988.db2.gz RSUYFZUMKKAQFN-UHFFFAOYSA-N 1 0 393.294 1.720 20 0 GDADRO CN(CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000108308258 530856759 /nfs/dbraw/zinc/85/67/59/530856759.db2.gz UFPSTKNZWSPDAQ-HNNXBMFYSA-N 1 0 385.917 1.561 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)C2)s1 ZINC000186703209 530860421 /nfs/dbraw/zinc/86/04/21/530860421.db2.gz RZWDNYSZJIXISG-NWANDNLSSA-N 1 0 385.555 1.571 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)s2)CC1 ZINC000186759045 530861838 /nfs/dbraw/zinc/86/18/38/530861838.db2.gz UILISFUWMBKFFE-KBPBESRZSA-N 1 0 385.555 1.897 20 0 GDADRO CC(C)c1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1Br ZINC000109363980 530862967 /nfs/dbraw/zinc/86/29/67/530862967.db2.gz SXWRBTUIRDAKFC-LBPRGKRZSA-N 1 0 386.338 1.909 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000111402947 530874985 /nfs/dbraw/zinc/87/49/85/530874985.db2.gz AXNNVRBHRFMGFI-WCQYABFASA-N 1 0 389.315 1.478 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000109810578 530864661 /nfs/dbraw/zinc/86/46/61/530864661.db2.gz SFFSDDUXBMKZBS-GFCCVEGCSA-N 1 0 375.441 1.647 20 0 GDADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000187114346 530867443 /nfs/dbraw/zinc/86/74/43/530867443.db2.gz DPMZAUOVJGYJDX-UHFFFAOYSA-N 1 0 394.946 1.647 20 0 GDADRO C[C@H](NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1)C(=O)N(C)C ZINC000111252990 530873081 /nfs/dbraw/zinc/87/30/81/530873081.db2.gz FGMOXPXDDZLEEW-LBPRGKRZSA-N 1 0 384.318 1.953 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3cnc4ccc(Br)cc4c3=O)C[C@@H]12 ZINC000185151602 530837456 /nfs/dbraw/zinc/83/74/56/530837456.db2.gz PYDWEKSLZCEROR-ZLKJLUDKSA-N 1 0 391.269 1.355 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COc3ccc(I)cc3)C[C@@H]12 ZINC000185203445 530837892 /nfs/dbraw/zinc/83/78/92/530837892.db2.gz KYKKLMHRBNXCEM-LERXQTSPSA-N 1 0 386.233 1.866 20 0 GDADRO COc1cc(C[NH2+]CCN2CCCS2(=O)=O)ccc1OCC(F)(F)F ZINC000105473252 530843283 /nfs/dbraw/zinc/84/32/83/530843283.db2.gz KHDBLBBHOZOZLR-UHFFFAOYSA-N 1 0 382.404 1.761 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000189293855 530911452 /nfs/dbraw/zinc/91/14/52/530911452.db2.gz DZVGJBASJPYMFL-SNVBAGLBSA-N 1 0 386.358 1.588 20 0 GDADRO CS(=O)(=O)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188712486 530899125 /nfs/dbraw/zinc/89/91/25/530899125.db2.gz KBUYWTRCTBDAHF-UHFFFAOYSA-N 1 0 377.304 1.420 20 0 GDADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC000116372685 530904878 /nfs/dbraw/zinc/90/48/78/530904878.db2.gz FHIXBJXVWNMDGJ-HNNXBMFYSA-N 1 0 376.544 1.735 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000187727516 530877217 /nfs/dbraw/zinc/87/72/17/530877217.db2.gz UHZMWFLZXRDWMW-UHFFFAOYSA-N 1 0 384.274 1.949 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187836458 530878927 /nfs/dbraw/zinc/87/89/27/530878927.db2.gz YSGJIAZGJKNGDJ-CYBMUJFWSA-N 1 0 387.933 1.558 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000112928995 530886414 /nfs/dbraw/zinc/88/64/14/530886414.db2.gz FGUKHGPFCLNDJA-LLVKDONJSA-N 1 0 396.285 1.890 20 0 GDADRO CN(CC(=O)N1CC[C@@H](C[NH+](C)C)C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000113450791 530890055 /nfs/dbraw/zinc/89/00/55/530890055.db2.gz PARGHZUNLDIGIX-NSHDSACASA-N 1 0 379.935 1.432 20 0 GDADRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000188495956 530895738 /nfs/dbraw/zinc/89/57/38/530895738.db2.gz JBZACSQLHYYEAR-WDEREUQCSA-N 1 0 395.909 1.325 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cccc(Br)n2)CC1 ZINC000188640083 530897775 /nfs/dbraw/zinc/89/77/75/530897775.db2.gz NZOBTIWICVJBMK-LBPRGKRZSA-N 1 0 396.289 1.614 20 0 GDADRO COC[C@@H](O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000117946162 530915210 /nfs/dbraw/zinc/91/52/10/530915210.db2.gz CIQAHNWFZGQCFB-JTQLQIEISA-N 1 0 381.210 1.405 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000118095735 530916224 /nfs/dbraw/zinc/91/62/24/530916224.db2.gz PUKVJVGMMROLTQ-LLVKDONJSA-N 1 0 384.274 1.997 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000118116332 530916338 /nfs/dbraw/zinc/91/63/38/530916338.db2.gz MWWWVIXTXNSOGD-UHFFFAOYSA-N 1 0 376.226 1.221 20 0 GDADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000118453834 530917584 /nfs/dbraw/zinc/91/75/84/530917584.db2.gz OHFUMBIDEBLLMH-UHFFFAOYSA-N 1 0 375.441 1.096 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000189700345 530919026 /nfs/dbraw/zinc/91/90/26/530919026.db2.gz RQFRLFAUIDNRRJ-INIZCTEOSA-N 1 0 388.917 1.879 20 0 GDADRO O=S(=O)(NCCCCN1CC[NH+](CCO)CC1)c1ccc(F)cc1Cl ZINC000119516022 530926826 /nfs/dbraw/zinc/92/68/26/530926826.db2.gz UDSSWOUUTHTMHA-UHFFFAOYSA-N 1 0 393.912 1.148 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(CS(C)(=O)=O)c(C)s2)CC1 ZINC000121757123 530961367 /nfs/dbraw/zinc/96/13/67/530961367.db2.gz JXZWFVWOKPSURI-CYBMUJFWSA-N 1 0 387.571 1.357 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccnc(Cl)c1I ZINC000120616039 530943560 /nfs/dbraw/zinc/94/35/60/530943560.db2.gz CWEXBIGOWAHJAX-GFCCVEGCSA-N 1 0 397.644 1.382 20 0 GDADRO O[C@H](Cn1cccn1)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191303302 530946836 /nfs/dbraw/zinc/94/68/36/530946836.db2.gz QEIOISUEJAQUEE-NSHDSACASA-N 1 0 376.408 1.327 20 0 GDADRO C[C@@H](CN1CCOCC1)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191311273 530947034 /nfs/dbraw/zinc/94/70/34/530947034.db2.gz FJDBRHWFHOPCBE-LBPRGKRZSA-N 1 0 379.452 1.790 20 0 GDADRO C[C@@H]1COCCN1CC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000192817713 530974533 /nfs/dbraw/zinc/97/45/33/530974533.db2.gz VXVHMQSBALACCT-GFCCVEGCSA-N 1 0 379.452 1.790 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000122791613 530976583 /nfs/dbraw/zinc/97/65/83/530976583.db2.gz JCPKDXLSHUUBFD-CQSZACIVSA-N 1 0 384.889 1.946 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)c1 ZINC000193036594 530978434 /nfs/dbraw/zinc/97/84/34/530978434.db2.gz ZLPUIQZOEJTEIU-GUYCJALGSA-N 1 0 388.555 1.893 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)c(Br)c1 ZINC000123085196 530979330 /nfs/dbraw/zinc/97/93/30/530979330.db2.gz HLABUCCLDAVKIF-UHFFFAOYSA-N 1 0 391.287 1.608 20 0 GDADRO CCS(=O)(=O)NC1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000193107748 530979396 /nfs/dbraw/zinc/97/93/96/530979396.db2.gz RXGHDSMCJGVFLR-CQSZACIVSA-N 1 0 388.559 1.464 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cccc(I)c1 ZINC000193396910 530985477 /nfs/dbraw/zinc/98/54/77/530985477.db2.gz DMKASLIIPUGKQI-BXKDBHETSA-N 1 0 380.251 1.568 20 0 GDADRO C[C@H]([NH3+])CCC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000193177795 530981095 /nfs/dbraw/zinc/98/10/95/530981095.db2.gz CCJPVXSLHIDVGU-NSHDSACASA-N 1 0 394.324 1.954 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc4c(cc3Br)NC(=O)CO4)C[C@H]2C1 ZINC000192514004 530969312 /nfs/dbraw/zinc/96/93/12/530969312.db2.gz JZSAIBOXEYUBMU-AOOOYVTPSA-N 1 0 380.242 1.414 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CC1 ZINC000122446557 530971902 /nfs/dbraw/zinc/97/19/02/530971902.db2.gz RSQJDCMRLZVVCA-AWEZNQCLSA-N 1 0 394.269 1.502 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000123748707 530987054 /nfs/dbraw/zinc/98/70/54/530987054.db2.gz AWRGXLYHBAXTRX-QGZVFWFLSA-N 1 0 383.901 1.713 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000193585605 530989600 /nfs/dbraw/zinc/98/96/00/530989600.db2.gz FPOBOARZRHLCHA-WBMJQRKESA-N 1 0 385.917 1.995 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)NCCOCC[NH+](C)C ZINC000230413678 531034162 /nfs/dbraw/zinc/03/41/62/531034162.db2.gz LBXUAFNROJHZOD-UHFFFAOYSA-N 1 0 381.292 1.314 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)c(Br)c1 ZINC000194737263 531009369 /nfs/dbraw/zinc/00/93/69/531009369.db2.gz SONOYHGUXHSTOB-LBPRGKRZSA-N 1 0 391.287 1.641 20 0 GDADRO C[C@H]([NH3+])CNC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000194865060 531011280 /nfs/dbraw/zinc/01/12/80/531011280.db2.gz ANIZSIUFDAOIJG-LBPRGKRZSA-N 1 0 379.507 1.572 20 0 GDADRO Cc1c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nnn1-c1cccc(Br)c1 ZINC000195255622 531019488 /nfs/dbraw/zinc/01/94/88/531019488.db2.gz IBGBBCWKGRDIDI-TXEJJXNPSA-N 1 0 376.258 1.630 20 0 GDADRO COC(=O)c1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c[nH]1 ZINC000127889264 531034833 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GDADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000237797119 531050105 /nfs/dbraw/zinc/05/01/05/531050105.db2.gz JSLTWNGDHPXJOP-KOLCDFICSA-N 1 0 384.221 1.796 20 0 GDADRO [NH3+]CC1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000237799367 531050327 /nfs/dbraw/zinc/05/03/27/531050327.db2.gz NVMVNVRSQBXPCO-UHFFFAOYSA-N 1 0 382.258 1.372 20 0 GDADRO O=C(/C=C/c1ccc(I)o1)NCCCN1CC[NH2+]CC1 ZINC000237807446 531050697 /nfs/dbraw/zinc/05/06/97/531050697.db2.gz GZIWGUYACNFCTG-HWKANZROSA-N 1 0 389.237 1.309 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)C1 ZINC000237849544 531050927 /nfs/dbraw/zinc/05/09/27/531050927.db2.gz FQHZZSRANRGYDJ-AWEZNQCLSA-N 1 0 379.507 1.442 20 0 GDADRO O=S(=O)(NCCCN1CC[NH2+]CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000237832831 531050944 /nfs/dbraw/zinc/05/09/44/531050944.db2.gz WCXGHEALLRLVBF-UHFFFAOYSA-N 1 0 385.839 1.932 20 0 GDADRO [NH3+]CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000237865373 531051673 /nfs/dbraw/zinc/05/16/73/531051673.db2.gz 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GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000264807715 531201404 /nfs/dbraw/zinc/20/14/04/531201404.db2.gz XQPBNNAQJJKNJR-INIZCTEOSA-N 1 0 392.301 1.610 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000264851178 531202566 /nfs/dbraw/zinc/20/25/66/531202566.db2.gz NAAOOILMLSZCAJ-UKRRQHHQSA-N 1 0 397.317 1.818 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000156901078 531205623 /nfs/dbraw/zinc/20/56/23/531205623.db2.gz PLDKOTAEBHGDDT-GFCCVEGCSA-N 1 0 380.507 1.551 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000157114168 531206050 /nfs/dbraw/zinc/20/60/50/531206050.db2.gz YTVYPMGMZLVCNR-LRDDRELGSA-N 1 0 385.917 1.804 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000157136237 531206079 /nfs/dbraw/zinc/20/60/79/531206079.db2.gz JRVFPIWUYIDMFV-INIZCTEOSA-N 1 0 387.933 1.840 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000156555450 531205335 /nfs/dbraw/zinc/20/53/35/531205335.db2.gz QXGGQJDTQYZJKM-VHSXEESVSA-N 1 0 390.303 1.296 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN([C@H](C(N)=O)c3cccc(Br)c3)C2)CC1 ZINC000157416044 531206667 /nfs/dbraw/zinc/20/66/67/531206667.db2.gz FFHJYSJQSCDTFX-SJORKVTESA-N 1 0 395.345 1.687 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000157619379 531207091 /nfs/dbraw/zinc/20/70/91/531207091.db2.gz HVQWMCPVHYISES-ONGXEEELSA-N 1 0 384.221 1.796 20 0 GDADRO CCN(CCC[NH+]1CCCC1)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000472062219 531216581 /nfs/dbraw/zinc/21/65/81/531216581.db2.gz HSKJGOQTKFDIQQ-UHFFFAOYSA-N 1 0 388.559 1.544 20 0 GDADRO CCN(CCC[NH+](CC)CC)C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000472088088 531216906 /nfs/dbraw/zinc/21/69/06/531216906.db2.gz WSPGUKBOSYCYNK-UHFFFAOYSA-N 1 0 376.567 1.564 20 0 GDADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@@H](O)COCC(F)(F)F)CC1 ZINC000433205237 531218867 /nfs/dbraw/zinc/21/88/67/531218867.db2.gz KBVARHHJFFEQCD-GXTWGEPZSA-N 1 0 390.468 1.308 20 0 GDADRO CCC[C@H](O)[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000519770941 531220091 /nfs/dbraw/zinc/22/00/91/531220091.db2.gz JQEMIDCYHNGYQP-BNOWGMLFSA-N 1 0 396.709 1.954 20 0 GDADRO CCOCCOC[C@@H](O)C[NH2+]Cc1cccc(I)c1 ZINC000519835972 531221381 /nfs/dbraw/zinc/22/13/81/531221381.db2.gz AFWXLFNPTLSZNU-AWEZNQCLSA-N 1 0 379.238 1.795 20 0 GDADRO CC(C)(CNC(=O)c1nc2ncc(Br)cn2n1)C[NH+]1CCCC1 ZINC000276667247 531221479 /nfs/dbraw/zinc/22/14/79/531221479.db2.gz CNAHSLRUUIPKEY-UHFFFAOYSA-N 1 0 381.278 1.739 20 0 GDADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000276705272 531224222 /nfs/dbraw/zinc/22/42/22/531224222.db2.gz OFIZIXCVVFBEBG-UHFFFAOYSA-N 1 0 391.559 1.337 20 0 GDADRO CC(=O)NCC[N@H+](CC[C@H]1CCNC1=O)Cc1ccc(Br)s1 ZINC000520423688 531226917 /nfs/dbraw/zinc/22/69/17/531226917.db2.gz HCYVIRLYAGSFPZ-GFCCVEGCSA-N 1 0 388.331 1.975 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000472404921 531228452 /nfs/dbraw/zinc/22/84/52/531228452.db2.gz GZFWPVHDMNRIJH-JTQLQIEISA-N 1 0 375.878 1.138 20 0 GDADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000276921932 531240119 /nfs/dbraw/zinc/24/01/19/531240119.db2.gz HGLXNPTWJYWHLX-OAHLLOKOSA-N 1 0 378.256 1.369 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000520569223 531231026 /nfs/dbraw/zinc/23/10/26/531231026.db2.gz ZMDSXDGTGFJUFU-UHFFFAOYSA-N 1 0 390.889 1.207 20 0 GDADRO CCC[C@H]1CN(c2cc(Br)cnc2C(N)=O)CC[N@@H+]1CCOC ZINC000472498384 531231989 /nfs/dbraw/zinc/23/19/89/531231989.db2.gz KIXGDYFJBPKINC-ZDUSSCGKSA-N 1 0 385.306 1.880 20 0 GDADRO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709816 531234591 /nfs/dbraw/zinc/23/45/91/531234591.db2.gz GMKRZWVPPOGTGA-HIFRSBDPSA-N 1 0 399.333 1.807 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(Br)s1 ZINC000520769197 531235392 /nfs/dbraw/zinc/23/53/92/531235392.db2.gz YVKNGLSSJKMQEU-LLVKDONJSA-N 1 0 389.319 1.650 20 0 GDADRO C[N@H+](C[C@H](O)Cn1cnc2ccc(I)cc2c1=O)C1CC1 ZINC000290508018 531238109 /nfs/dbraw/zinc/23/81/09/531238109.db2.gz BEGFFNFEMLSDIY-LBPRGKRZSA-N 1 0 399.232 1.456 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)COc1ccccc1)c1cccc(Cl)c1 ZINC000521029751 531238585 /nfs/dbraw/zinc/23/85/85/531238585.db2.gz PQTKJJVJFIRMEP-OAHLLOKOSA-N 1 0 384.885 1.648 20 0 GDADRO CN(CC(=O)NC[C@@]1(C)CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000521028574 531238786 /nfs/dbraw/zinc/23/87/86/531238786.db2.gz SMGTVHFNYBSGJN-AWEZNQCLSA-N 1 0 379.935 1.528 20 0 GDADRO C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@H]1CCCOC1 ZINC000472736237 531238858 /nfs/dbraw/zinc/23/88/58/531238858.db2.gz NGBGRIGDDGQWMA-LLVKDONJSA-N 1 0 375.878 1.284 20 0 GDADRO COc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc(OC)c1Br ZINC000473270156 531251192 /nfs/dbraw/zinc/25/11/92/531251192.db2.gz FDMWMJWKCGXHKE-MRXNPFEDSA-N 1 0 389.290 1.899 20 0 GDADRO O=S1(=O)C[C@@H]([NH2+]Cc2cc(Br)cs2)[C@H](N2CCOCC2)C1 ZINC000265279380 531240644 /nfs/dbraw/zinc/24/06/44/531240644.db2.gz WYBIKPIWZBTBJQ-CHWSQXEVSA-N 1 0 395.344 1.098 20 0 GDADRO CN(CC[NH2+]C[C@H](O)COc1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000521227901 531240807 /nfs/dbraw/zinc/24/08/07/531240807.db2.gz AMZFDTBEAKABBC-AWEZNQCLSA-N 1 0 388.486 1.537 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(F)c(Br)c(F)c3)C[C@@H]12 ZINC000521360378 531244284 /nfs/dbraw/zinc/24/42/84/531244284.db2.gz UZNPDCRSFOKBQX-LPBBDHJYSA-N 1 0 388.212 1.862 20 0 GDADRO O=S1(=O)C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@H](N2CCOCC2)C1 ZINC000265343996 531244694 /nfs/dbraw/zinc/24/46/94/531244694.db2.gz IZWCSXOCYJHKCL-HUUCEWRRSA-N 1 0 378.416 1.293 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CCCOc2cccc(Cl)c2)[C@H](N2CCOCC2)C1 ZINC000265370723 531246748 /nfs/dbraw/zinc/24/67/48/531246748.db2.gz OMXJJCNBDOHVAJ-DLBZAZTESA-N 1 0 388.917 1.196 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCC[S@@](C)=O)cc1Cl ZINC000522657207 531257347 /nfs/dbraw/zinc/25/73/47/531257347.db2.gz DYZQYWIVCWDAGC-RUZDIDTESA-N 1 0 389.905 1.104 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000277140749 531260963 /nfs/dbraw/zinc/26/09/63/531260963.db2.gz PFPLDFSGDIWNMJ-NSHDSACASA-N 1 0 399.485 1.166 20 0 GDADRO C[N@H+](C[C@H](O)Cn1nnc(-c2ccccc2I)n1)C1CC1 ZINC000290867880 531261294 /nfs/dbraw/zinc/26/12/94/531261294.db2.gz ZJLQPTKZYWAPKJ-NSHDSACASA-N 1 0 399.236 1.400 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000522010717 531253604 /nfs/dbraw/zinc/25/36/04/531253604.db2.gz CGEHJHADTRHHOQ-WDEREUQCSA-N 1 0 379.404 1.322 20 0 GDADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000290941198 531267351 /nfs/dbraw/zinc/26/73/51/531267351.db2.gz ONZILOTWJFEHLK-CYBMUJFWSA-N 1 0 389.543 1.228 20 0 GDADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCc1ccc(Br)cc1 ZINC000290967566 531267928 /nfs/dbraw/zinc/26/79/28/531267928.db2.gz WYXPNJOQPFUTED-UHFFFAOYSA-N 1 0 387.303 1.632 20 0 GDADRO CCC(=O)N1CSC[C@H]1C(=O)N(Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435601038 531263922 /nfs/dbraw/zinc/26/39/22/531263922.db2.gz IOXMLICQUCLNIJ-KGLIPLIRSA-N 1 0 382.555 1.701 20 0 GDADRO C[C@H]1C[NH+](CC2CCN(C(=O)Cn3cc(Br)cn3)CC2)C[C@H](C)O1 ZINC000524225175 531275336 /nfs/dbraw/zinc/27/53/36/531275336.db2.gz WJNKWLCJRIRVDZ-KBPBESRZSA-N 1 0 399.333 1.993 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cc[nH+]1 ZINC000349509882 531275528 /nfs/dbraw/zinc/27/55/28/531275528.db2.gz ZLOCBACIWCJUKY-GASCZTMLSA-N 1 0 387.527 1.005 20 0 GDADRO C[NH2+]CCCN1CCN(C(=O)c2ccccc2I)CC1 ZINC000435878417 531271691 /nfs/dbraw/zinc/27/16/91/531271691.db2.gz BOTJHSOBMRSXSL-UHFFFAOYSA-N 1 0 387.265 1.659 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cncc(Br)c1)CN1CCOCC1 ZINC000265650817 531274765 /nfs/dbraw/zinc/27/47/65/531274765.db2.gz NDNCIWTUHXMYHN-NSHDSACASA-N 1 0 378.292 1.091 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cccc(Br)c1 ZINC000410169478 531280588 /nfs/dbraw/zinc/28/05/88/531280588.db2.gz TWHTZCGMAACRJS-UHFFFAOYSA-N 1 0 398.301 1.312 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCOc2cccc(Cl)c2Cl)CC1=O ZINC000524797275 531280651 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O=C(C[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1)NCc1ccc(Cl)s1 ZINC000475314084 531294105 /nfs/dbraw/zinc/29/41/05/531294105.db2.gz HFLMUPAJGCZMJE-UONOGXRCSA-N 1 0 383.905 1.875 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000410862891 531296414 /nfs/dbraw/zinc/29/64/14/531296414.db2.gz NXQBRMWFWJCCEW-VHSXEESVSA-N 1 0 376.404 1.283 20 0 GDADRO NC(=O)NC(=O)C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000475743398 531303155 /nfs/dbraw/zinc/30/31/55/531303155.db2.gz YJPYMKVHFFDHCB-CQSZACIVSA-N 1 0 377.242 1.912 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)c(SC)c2)CC1 ZINC000411134703 531304313 /nfs/dbraw/zinc/30/43/13/531304313.db2.gz OHYPBTIGSSFLIA-UHFFFAOYSA-N 1 0 384.933 1.754 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)s1 ZINC000277722651 531305453 /nfs/dbraw/zinc/30/54/53/531305453.db2.gz GKOKKZGTJZIDKJ-UHFFFAOYSA-N 1 0 386.543 1.330 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cs1 ZINC000277719623 531306087 /nfs/dbraw/zinc/30/60/87/531306087.db2.gz JCIPIEPPVSOCHR-GFCCVEGCSA-N 1 0 376.500 1.314 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000476547500 531314610 /nfs/dbraw/zinc/31/46/10/531314610.db2.gz MRIMVONPWGYWGS-UHFFFAOYSA-N 1 0 395.301 1.982 20 0 GDADRO CS(=O)(=O)CCOCCNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000266178191 531320430 /nfs/dbraw/zinc/32/04/30/531320430.db2.gz UEMCVJWBKWLLGT-UHFFFAOYSA-N 1 0 384.479 1.690 20 0 GDADRO C[C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)C[NH+]1CCN(C)CC1 ZINC000277935359 531320755 /nfs/dbraw/zinc/32/07/55/531320755.db2.gz IGSOQPADGYHBEZ-GFCCVEGCSA-N 1 0 385.306 1.092 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1Br ZINC000439359368 531320962 /nfs/dbraw/zinc/32/09/62/531320962.db2.gz NTJMIZJTWIVGOI-NSHDSACASA-N 1 0 384.274 1.949 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000527316092 531321964 /nfs/dbraw/zinc/32/19/64/531321964.db2.gz HFHBKIIQHRSPAJ-UHFFFAOYSA-N 1 0 375.878 1.081 20 0 GDADRO C[C@@H](C[NH2+]Cc1cn(C)c(=O)n(C)c1=O)Oc1cccc(Br)c1 ZINC000266194952 531323140 /nfs/dbraw/zinc/32/31/40/531323140.db2.gz ZYXYLXZZYZXBNV-NSHDSACASA-N 1 0 382.258 1.404 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)C[NH2+]C)cc1 ZINC000440416375 531338056 /nfs/dbraw/zinc/33/80/56/531338056.db2.gz VRNZSZPGXNZKMA-ZDUSSCGKSA-N 1 0 377.532 1.362 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H](O)[C@H]2CCCO2)c2cc(Br)ccc21 ZINC000527957957 531338746 /nfs/dbraw/zinc/33/87/46/531338746.db2.gz TUBZJRANLRYNLW-BFHYXJOUSA-N 1 0 390.299 1.797 20 0 GDADRO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000440421568 531338803 /nfs/dbraw/zinc/33/88/03/531338803.db2.gz PHEJVHXMNCKYOD-NSHDSACASA-N 1 0 386.470 1.727 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC000266229009 531328285 /nfs/dbraw/zinc/32/82/85/531328285.db2.gz SXAQYZXRSRAYHB-NSHDSACASA-N 1 0 381.420 1.246 20 0 GDADRO CSc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000411648744 531332484 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Cc1nn(C)c(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1Br ZINC000527752838 531336431 /nfs/dbraw/zinc/33/64/31/531336431.db2.gz IADQJQGOLZYHOF-MRXNPFEDSA-N 1 0 387.322 1.196 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)N3CCO[C@@H](C[NH3+])C3)CC2=O)ccc1Br ZINC000478713345 531347989 /nfs/dbraw/zinc/34/79/89/531347989.db2.gz CPKWAFDTCSXKBT-JSGCOSHPSA-N 1 0 396.285 1.297 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])ccc1Br ZINC000440852798 531348229 /nfs/dbraw/zinc/34/82/29/531348229.db2.gz YBTSHDUAQMSOHH-GHMZBOCLSA-N 1 0 393.303 1.585 20 0 GDADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)CCCO1 ZINC000278272625 531348490 /nfs/dbraw/zinc/34/84/90/531348490.db2.gz WDRGFIMUOKHGIN-GFCCVEGCSA-N 1 0 389.905 1.218 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)c2c(I)cnn2C)C1 ZINC000292341722 531350484 /nfs/dbraw/zinc/35/04/84/531350484.db2.gz SRGNBVQEZRQIIF-JTQLQIEISA-N 1 0 376.242 1.486 20 0 GDADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)C1 ZINC000528042739 531339658 /nfs/dbraw/zinc/33/96/58/531339658.db2.gz HUHKYBVHACSPNF-CYBMUJFWSA-N 1 0 385.917 1.869 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)CC[C@H]1[NH3+] ZINC000528047749 531340127 /nfs/dbraw/zinc/34/01/27/531340127.db2.gz GMHMCLFFRLNJST-IUODEOHRSA-N 1 0 385.917 1.997 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)c(Cl)cc21 ZINC000528046670 531340483 /nfs/dbraw/zinc/34/04/83/531340483.db2.gz IRWNOOCSUSFBLD-HIFRSBDPSA-N 1 0 383.901 1.622 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[NH2+][C@@H](C(C)C)C3)c(Cl)cc21 ZINC000528049018 531340541 /nfs/dbraw/zinc/34/05/41/531340541.db2.gz LMKVOLSUSXKSED-OAHLLOKOSA-N 1 0 385.917 1.868 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528047406 531340797 /nfs/dbraw/zinc/34/07/97/531340797.db2.gz FJMJYNMQHMVGIH-OAHLLOKOSA-N 1 0 387.889 1.870 20 0 GDADRO [NH3+]CC1(NS(=O)(=O)c2cccc(Cl)c2Br)CCOCC1 ZINC000528056919 531341263 /nfs/dbraw/zinc/34/12/63/531341263.db2.gz QLSNCEIJZOVYQT-UHFFFAOYSA-N 1 0 383.695 1.889 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCC2CCCC2)cc[nH+]1 ZINC000349569221 531342300 /nfs/dbraw/zinc/34/23/00/531342300.db2.gz PPXFLBHISVRZSJ-UHFFFAOYSA-N 1 0 375.516 1.053 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1Br ZINC000440747063 531343496 /nfs/dbraw/zinc/34/34/96/531343496.db2.gz MGDKHQYHKACWNP-ZJUUUORDSA-N 1 0 390.303 1.778 20 0 GDADRO COc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000440749488 531343741 /nfs/dbraw/zinc/34/37/41/531343741.db2.gz QXHBBCDHWYOQGY-LLVKDONJSA-N 1 0 375.288 1.973 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000440805748 531345163 /nfs/dbraw/zinc/34/51/63/531345163.db2.gz DZGBGMGNSJSQPZ-JOYOIKCWSA-N 1 0 380.388 1.768 20 0 GDADRO CCCC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000266392192 531345193 /nfs/dbraw/zinc/34/51/93/531345193.db2.gz OGGOAGQXTIEVQL-UHFFFAOYSA-N 1 0 389.543 1.414 20 0 GDADRO C[C@H](CNC(=O)c1c(I)cnn1C)C[NH+]1CCCCC1 ZINC000292264333 531345736 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CC[NH+]1CCN([C@H](C)CNC(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000479097902 531354524 /nfs/dbraw/zinc/35/45/24/531354524.db2.gz JYQJUGCXCKWIQH-GFCCVEGCSA-N 1 0 375.382 1.733 20 0 GDADRO CCn1cc(Br)cc1C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000412315803 531363463 /nfs/dbraw/zinc/36/34/63/531363463.db2.gz CFVVUBXZBILOQK-CYBMUJFWSA-N 1 0 399.333 1.991 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000441963175 531367479 /nfs/dbraw/zinc/36/74/79/531367479.db2.gz XCPMNCYHDXYPBQ-SNVBAGLBSA-N 1 0 382.258 1.749 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000480200612 531369051 /nfs/dbraw/zinc/36/90/51/531369051.db2.gz VNOSWAADOKMPTL-GHMZBOCLSA-N 1 0 381.420 1.244 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000442003229 531369426 /nfs/dbraw/zinc/36/94/26/531369426.db2.gz NZRJCKWJYLDFAZ-NSHDSACASA-N 1 0 388.237 1.364 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000442004950 531369561 /nfs/dbraw/zinc/36/95/61/531369561.db2.gz RAGDTGVLZGUBND-LLVKDONJSA-N 1 0 396.285 1.887 20 0 GDADRO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC000412423712 531370363 /nfs/dbraw/zinc/37/03/63/531370363.db2.gz YOCRWARIKHKNMH-HOTGVXAUSA-N 1 0 376.567 1.224 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266810240 531370693 /nfs/dbraw/zinc/37/06/93/531370693.db2.gz VITCIRWCISORFM-IMJJTQAJSA-N 1 0 388.555 1.943 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1cccc(F)c1I ZINC000528685846 531371628 /nfs/dbraw/zinc/37/16/28/531371628.db2.gz LLFQJBKSPYJJQV-QMMMGPOBSA-N 1 0 379.173 1.540 20 0 GDADRO CC[NH+](CC)CCSCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000266833205 531371748 /nfs/dbraw/zinc/37/17/48/531371748.db2.gz MEMNMMYXTCYNFT-UHFFFAOYSA-N 1 0 387.571 1.628 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000528707169 531372213 /nfs/dbraw/zinc/37/22/13/531372213.db2.gz VRUQRVYWDNRYGR-LBPRGKRZSA-N 1 0 391.896 1.700 20 0 GDADRO C[NH+](C)[C@H]1CCCN(c2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000292887342 531386304 /nfs/dbraw/zinc/38/63/04/531386304.db2.gz WGQRLQBZKSNPRG-LBPRGKRZSA-N 1 0 378.274 1.920 20 0 GDADRO C[NH+]1CCN(CCNc2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000292926480 531388431 /nfs/dbraw/zinc/38/84/31/531388431.db2.gz ZWHMKZGIKFEQCM-UHFFFAOYSA-N 1 0 393.289 1.049 20 0 GDADRO NC(=O)CCn1c(SCC[N@@H+]2CCCOCC2)nnc1-c1cccs1 ZINC000412992013 531393066 /nfs/dbraw/zinc/39/30/66/531393066.db2.gz SFCGSXCZGBFDFC-UHFFFAOYSA-N 1 0 381.527 1.696 20 0 GDADRO COc1cc(CNC(=O)NC[C@H]2COCC[NH2+]2)cc(Br)c1OC ZINC000529300868 531381723 /nfs/dbraw/zinc/38/17/23/531381723.db2.gz QNQCQVHONBHSEF-NSHDSACASA-N 1 0 388.262 1.254 20 0 GDADRO O=C(NCc1cc(Br)ccc1OC(F)F)NC[C@@H]1COCC[NH2+]1 ZINC000529302126 531382546 /nfs/dbraw/zinc/38/25/46/531382546.db2.gz WOMLCGKFKCZSEA-LLVKDONJSA-N 1 0 394.216 1.838 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000530481996 531396365 /nfs/dbraw/zinc/39/63/65/531396365.db2.gz 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CN(CC[NH+](C)C)C(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000267893695 531459283 /nfs/dbraw/zinc/45/92/83/531459283.db2.gz VJGCGQDAFQZHSH-UHFFFAOYSA-N 1 0 377.557 1.119 20 0 GDADRO COc1ccc(Br)cc1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000414996147 531464723 /nfs/dbraw/zinc/46/47/23/531464723.db2.gz XBYIAAQISJTWLU-CYBMUJFWSA-N 1 0 383.290 1.969 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(F)cc(Br)cc1F ZINC000267978211 531464774 /nfs/dbraw/zinc/46/47/74/531464774.db2.gz KFLNGOKDNPPRPW-LBPRGKRZSA-N 1 0 390.228 1.797 20 0 GDADRO COC(=O)CCCc1nnc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)s1 ZINC000267982577 531464868 /nfs/dbraw/zinc/46/48/68/531464868.db2.gz PIUYYZXPEOOESS-OAHLLOKOSA-N 1 0 387.531 1.593 20 0 GDADRO CS[C@H]1CN(c2ncc(C(=O)N3CCOCC3)cc2Cl)C[C@H]1[NH+](C)C ZINC000538095886 531465013 /nfs/dbraw/zinc/46/50/13/531465013.db2.gz HATMMKGCXOOYKG-CABCVRRESA-N 1 0 384.933 1.689 20 0 GDADRO COc1ccc(I)c(NC(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000415067158 531465663 /nfs/dbraw/zinc/46/56/63/531465663.db2.gz 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CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCn1ccnn1 ZINC000449239485 531468421 /nfs/dbraw/zinc/46/84/21/531468421.db2.gz JYZYNMQQZUGTKS-LBPRGKRZSA-N 1 0 396.289 1.734 20 0 GDADRO CCn1nnc(C)c1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000449304060 531469302 /nfs/dbraw/zinc/46/93/02/531469302.db2.gz OEMALXOKIIZUEO-UHFFFAOYSA-N 1 0 375.857 1.467 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc(F)cc1I ZINC000415248035 531469409 /nfs/dbraw/zinc/46/94/09/531469409.db2.gz FYRWEDTUYXDVKC-SNVBAGLBSA-N 1 0 392.216 1.455 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000415264237 531469705 /nfs/dbraw/zinc/46/97/05/531469705.db2.gz IWIHDYJOIHLWCV-NSHDSACASA-N 1 0 387.221 1.488 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415278210 531470151 /nfs/dbraw/zinc/47/01/51/531470151.db2.gz ZOVAGNVHZUNHNS-SNVBAGLBSA-N 1 0 377.242 1.886 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415275472 531470403 /nfs/dbraw/zinc/47/04/03/531470403.db2.gz VXMQEQCVFRVVDW-SNVBAGLBSA-N 1 0 384.230 1.124 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)NC2CC[NH2+]CC2)c1 ZINC000415274208 531470632 /nfs/dbraw/zinc/47/06/32/531470632.db2.gz YMLBAQMKHNBWQQ-UHFFFAOYSA-N 1 0 387.221 1.406 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCCN2CC[NH2+]CC2)cc1Br ZINC000415285631 531471144 /nfs/dbraw/zinc/47/11/44/531471144.db2.gz SBKBIIVFFGDSNY-UHFFFAOYSA-N 1 0 383.290 1.108 20 0 GDADRO [NH3+]CCN(CCO)C(=O)Nc1ccc(Cl)cc1I ZINC000415283107 531471223 /nfs/dbraw/zinc/47/12/23/531471223.db2.gz MIZCWWYBBLTPFH-UHFFFAOYSA-N 1 0 383.617 1.730 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000415289375 531471291 /nfs/dbraw/zinc/47/12/91/531471291.db2.gz CICQRCIRAQNPOV-UHFFFAOYSA-N 1 0 379.052 1.615 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)NCCC[NH3+])c1C ZINC000415288918 531471497 /nfs/dbraw/zinc/47/14/97/531471497.db2.gz ACTMELZNGOQAMN-UHFFFAOYSA-N 1 0 394.273 1.655 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(I)cc2C)C1 ZINC000415300256 531472315 /nfs/dbraw/zinc/47/23/15/531472315.db2.gz OGOKKZCHOSBYMN-NSHDSACASA-N 1 0 387.221 1.358 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)CS(=O)(=O)CC)s1 ZINC000540415910 531472995 /nfs/dbraw/zinc/47/29/95/531472995.db2.gz PATHSGQOQVRNGC-ZDUSSCGKSA-N 1 0 396.600 1.734 20 0 GDADRO O=Cc1ccc(OCC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000363118754 531473161 /nfs/dbraw/zinc/47/31/61/531473161.db2.gz BYSYWBVFQFBXJU-KBPBESRZSA-N 1 0 397.269 1.620 20 0 GDADRO CCN(CC)S(=O)(=O)CC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000363262249 531478487 /nfs/dbraw/zinc/47/84/87/531478487.db2.gz YKVZLAJMCSAMNZ-UHFFFAOYSA-N 1 0 377.576 1.136 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415356114 531478498 /nfs/dbraw/zinc/47/84/98/531478498.db2.gz QBCQCAYBXLPXNW-LLVKDONJSA-N 1 0 392.257 1.381 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415357574 531478567 /nfs/dbraw/zinc/47/85/67/531478567.db2.gz SGUZZHJZBJUVMK-NSHDSACASA-N 1 0 383.290 1.256 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccsc2Br)CC1 ZINC000449842783 531478756 /nfs/dbraw/zinc/47/87/56/531478756.db2.gz ZZZRQAIYMWECII-UHFFFAOYSA-N 1 0 386.315 1.891 20 0 GDADRO Cc1nn(C)c(NC(=O)N(CC[NH3+])CCO)c1-c1ccc(Br)cc1 ZINC000415360229 531479172 /nfs/dbraw/zinc/47/91/72/531479172.db2.gz LLSPJGJMPFHRDD-UHFFFAOYSA-N 1 0 396.289 1.943 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)NCCCC[NH3+])c1 ZINC000415366483 531479553 /nfs/dbraw/zinc/47/95/53/531479553.db2.gz YOWOERCKHFHEKS-UHFFFAOYSA-N 1 0 391.209 1.938 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1OC ZINC000415380674 531481660 /nfs/dbraw/zinc/48/16/60/531481660.db2.gz PTIUQIAWDRBMMJ-SECBINFHSA-N 1 0 386.246 1.273 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)NC(C)(C)C[NH3+])sc2c1CCCS2 ZINC000415383188 531481729 /nfs/dbraw/zinc/48/17/29/531481729.db2.gz LLYZKTBVVAWKSM-UHFFFAOYSA-N 1 0 385.511 1.755 20 0 GDADRO CCCN(C(=O)C(=O)N1CCc2ccc(Br)cc21)[C@@H]1CC[NH2+]C1 ZINC000415390240 531482256 /nfs/dbraw/zinc/48/22/56/531482256.db2.gz HGJBOLJYBDJHOD-CQSZACIVSA-N 1 0 380.286 1.939 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000488165776 531482278 /nfs/dbraw/zinc/48/22/78/531482278.db2.gz IAKCEDJODVUDIC-CVEARBPZSA-N 1 0 377.551 1.054 20 0 GDADRO COC(=O)c1cc(NC(=O)NCCCN2CC[NH2+]CC2)ccc1Br ZINC000415397353 531482357 /nfs/dbraw/zinc/48/23/57/531482357.db2.gz AJVYRLOUXPYTTG-UHFFFAOYSA-N 1 0 399.289 1.653 20 0 GDADRO CCCN(C(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O)[C@H]1CC[NH2+]C1 ZINC000415403660 531483015 /nfs/dbraw/zinc/48/30/15/531483015.db2.gz LVWRPLVZPKRKHA-NSHDSACASA-N 1 0 387.889 1.283 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000415441792 531485780 /nfs/dbraw/zinc/48/57/80/531485780.db2.gz FZWKPGMJOOUSPT-GFCCVEGCSA-N 1 0 388.237 1.779 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000415435950 531486214 /nfs/dbraw/zinc/48/62/14/531486214.db2.gz NWJLSSQNVLAVJY-JTQLQIEISA-N 1 0 387.221 1.358 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1)C1CC1 ZINC000415443956 531486785 /nfs/dbraw/zinc/48/67/85/531486785.db2.gz CTLXYECPLYRQJM-AWEZNQCLSA-N 1 0 395.301 1.841 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000415442892 531487135 /nfs/dbraw/zinc/48/71/35/531487135.db2.gz SXQRTDMFPLXRSU-SECBINFHSA-N 1 0 388.237 1.746 20 0 GDADRO CN(c1ccccc1NC(=O)NC[C@]1([NH+](C)C)CCSC1)S(C)(=O)=O ZINC000268238363 531487705 /nfs/dbraw/zinc/48/77/05/531487705.db2.gz UJIOIPAYXWTRIX-MRXNPFEDSA-N 1 0 386.543 1.641 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cn1cc(Br)ccc1=O ZINC000363492241 531487796 /nfs/dbraw/zinc/48/77/96/531487796.db2.gz ZYUBYFFPDICMLR-KFWWJZLASA-N 1 0 398.301 1.321 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1Cl ZINC000415459384 531488241 /nfs/dbraw/zinc/48/82/41/531488241.db2.gz WSEJRZARYATSHZ-ZDUSSCGKSA-N 1 0 390.267 1.811 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC[C@@H]1[NH3+] ZINC000415465193 531488766 /nfs/dbraw/zinc/48/87/66/531488766.db2.gz RXKWIROOEPRNBQ-CPCISQLKSA-N 1 0 376.201 1.862 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1OC ZINC000415464254 531489010 /nfs/dbraw/zinc/48/90/10/531489010.db2.gz CMTIYKRQHILRAI-SECBINFHSA-N 1 0 386.246 1.355 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000415490009 531489536 /nfs/dbraw/zinc/48/95/36/531489536.db2.gz VEDTZOKQBXRPMI-LLVKDONJSA-N 1 0 387.221 1.488 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415474308 531489657 /nfs/dbraw/zinc/48/96/57/531489657.db2.gz KOGDVSPKGXMLBN-NEPJUHHUSA-N 1 0 382.258 1.749 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](S(=O)(=O)NC)C1)CC(C)C ZINC000363534145 531489981 /nfs/dbraw/zinc/48/99/81/531489981.db2.gz LAUVQTBKQIGZOZ-CVEARBPZSA-N 1 0 376.567 1.466 20 0 GDADRO CC[C@@H](CO)N1CCN(C(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC000450265791 531491381 /nfs/dbraw/zinc/49/13/81/531491381.db2.gz ZFFGNGSQLJHZAM-JTQLQIEISA-N 1 0 375.238 1.823 20 0 GDADRO COc1cc(OC)c(NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1Br ZINC000415526432 531491628 /nfs/dbraw/zinc/49/16/28/531491628.db2.gz HIYWIIVFHYDCBY-JTQLQIEISA-N 1 0 387.278 1.491 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(I)c1 ZINC000415528299 531491819 /nfs/dbraw/zinc/49/18/19/531491819.db2.gz RXDAPCINNBORDQ-UWVGGRQHSA-N 1 0 387.221 1.425 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)Nc1cc(I)ccc1Cl ZINC000415529426 531492000 /nfs/dbraw/zinc/49/20/00/531492000.db2.gz AYLUHELVWILZBR-UHFFFAOYSA-N 1 0 393.612 1.219 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(Br)c2cccnc12)C1CC1 ZINC000415539199 531492508 /nfs/dbraw/zinc/49/25/08/531492508.db2.gz UNLFXDXTHUOPQV-LBPRGKRZSA-N 1 0 377.242 1.789 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000487767208 531478086 /nfs/dbraw/zinc/47/80/86/531478086.db2.gz PLLOCLKJQAKCFG-QWRGUYRKSA-N 1 0 394.324 1.586 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1cccc(F)c1I ZINC000415356744 531478158 /nfs/dbraw/zinc/47/81/58/531478158.db2.gz HOICWDJTXNKNGQ-VIFPVBQESA-N 1 0 392.216 1.455 20 0 GDADRO COc1cc(NC(=O)N[C@@H](CC[NH3+])C(F)F)ccc1S(=O)(=O)N(C)C ZINC000415354686 531478310 /nfs/dbraw/zinc/47/83/10/531478310.db2.gz DYJKPEAEJULCHK-JTQLQIEISA-N 1 0 380.417 1.050 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415658625 531510861 /nfs/dbraw/zinc/51/08/61/531510861.db2.gz NNWIZELBYFNOGU-CPCISQLKSA-N 1 0 376.201 1.780 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415662802 531511012 /nfs/dbraw/zinc/51/10/12/531511012.db2.gz QSNULXOGDKOBIH-GHMZBOCLSA-N 1 0 384.274 1.961 20 0 GDADRO O=C(Nc1cccc2c(Br)ccnc12)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415667444 531512179 /nfs/dbraw/zinc/51/21/79/531512179.db2.gz AIQJWDQFJKBDHL-PHIMTYICSA-N 1 0 389.253 1.614 20 0 GDADRO CCOc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)cc1Br ZINC000581725932 531512640 /nfs/dbraw/zinc/51/26/40/531512640.db2.gz OOGMZNHVKIDGET-LLVKDONJSA-N 1 0 392.319 1.030 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)Nc1cccc(Cl)c1 ZINC000415682802 531514035 /nfs/dbraw/zinc/51/40/35/531514035.db2.gz BHHDAQUTLREMKU-LBPRGKRZSA-N 1 0 378.782 1.231 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000268448989 531514181 /nfs/dbraw/zinc/51/41/81/531514181.db2.gz ZIJXVHOJNOVKGW-UHFFFAOYSA-N 1 0 375.466 1.460 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000658540241 531514501 /nfs/dbraw/zinc/51/45/01/531514501.db2.gz RXYJSWHBXVCRHL-UHFFFAOYSA-N 1 0 376.201 1.686 20 0 GDADRO O[C@H](C[NH2+]Cc1cnccn1)COc1ccc(I)cc1 ZINC000581771497 531515517 /nfs/dbraw/zinc/51/55/17/531515517.db2.gz DBODAWVMRRUAGZ-CYBMUJFWSA-N 1 0 385.205 1.611 20 0 GDADRO COC(=O)c1cc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)c(C)cc1Br ZINC000415707969 531517515 /nfs/dbraw/zinc/51/75/15/531517515.db2.gz NBFNPSQKJHMDHF-NSHDSACASA-N 1 0 399.289 1.569 20 0 GDADRO Cn1ncc(Br)c1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000295054174 531517721 /nfs/dbraw/zinc/51/77/21/531517721.db2.gz KFYHBZXMXFTAOE-CYBMUJFWSA-N 1 0 384.322 1.425 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000490048546 531518224 /nfs/dbraw/zinc/51/82/24/531518224.db2.gz UCMDSVINZQBOOB-SNVBAGLBSA-N 1 0 382.404 1.968 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c1OC ZINC000490049329 531518452 /nfs/dbraw/zinc/51/84/52/531518452.db2.gz XVRUQOCDUPYUQW-JTQLQIEISA-N 1 0 377.894 1.184 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c(Br)c1 ZINC000490057133 531518636 /nfs/dbraw/zinc/51/86/36/531518636.db2.gz HLWMCDNNFKHHKZ-JTQLQIEISA-N 1 0 393.303 1.712 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415545980 531493944 /nfs/dbraw/zinc/49/39/44/531493944.db2.gz LURKCFOXPWBKJS-UHFFFAOYSA-N 1 0 380.246 1.251 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415554546 531494870 /nfs/dbraw/zinc/49/48/70/531494870.db2.gz HEUUFUHJSCLMFN-GHMZBOCLSA-N 1 0 384.274 1.995 20 0 GDADRO C[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000556380603 531495261 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CN(CC[NH3+])C(=O)C(=O)Nc1ccc(Br)cc1Br ZINC000415876962 531548780 /nfs/dbraw/zinc/54/87/80/531548780.db2.gz HCRXIZCATTVEMC-UHFFFAOYSA-N 1 0 379.052 1.567 20 0 GDADRO C[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cn1 ZINC000659489818 531549345 /nfs/dbraw/zinc/54/93/45/531549345.db2.gz LLFZWNKRPJLOGA-MRVPVSSYSA-N 1 0 381.234 1.359 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000582694227 531550856 /nfs/dbraw/zinc/55/08/56/531550856.db2.gz GJHSYOVJSBYENJ-CYBMUJFWSA-N 1 0 392.319 1.237 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000659683942 531552853 /nfs/dbraw/zinc/55/28/53/531552853.db2.gz DCWOSTCRSPMBQT-LLVKDONJSA-N 1 0 376.320 1.659 20 0 GDADRO O=C(c1ccc(Br)cc1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364088498 531534342 /nfs/dbraw/zinc/53/43/42/531534342.db2.gz DUTGLNHPANZDFW-UHFFFAOYSA-N 1 0 383.286 1.748 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CC[C@@H]1c1ccccc1 ZINC000658967557 531534812 /nfs/dbraw/zinc/53/48/12/531534812.db2.gz JFBYHWIRMDLALT-HZPDHXFCSA-N 1 0 390.281 1.954 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)CC[C@@H]1c1ccccc1 ZINC000658968409 531534993 /nfs/dbraw/zinc/53/49/93/531534993.db2.gz UOQNJLPURYROQA-HUUCEWRRSA-N 1 0 379.507 1.370 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415820179 531535421 /nfs/dbraw/zinc/53/54/21/531535421.db2.gz ALBMGVRAHMLFCL-UHFFFAOYSA-N 1 0 398.257 1.385 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415815068 531535485 /nfs/dbraw/zinc/53/54/85/531535485.db2.gz JSEOJQJBTYJPIN-PWSUYJOCSA-N 1 0 382.258 1.525 20 0 GDADRO CN(C(=O)C(=O)Nc1ccc2nccnc2c1Br)C1CC([NH3+])C1 ZINC000415816380 531536317 /nfs/dbraw/zinc/53/63/17/531536317.db2.gz UBEHKDYGWJGYQK-UHFFFAOYSA-N 1 0 378.230 1.279 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491596142 531555202 /nfs/dbraw/zinc/55/52/02/531555202.db2.gz HPIWYDRDEFBYHA-ZIAGYGMSSA-N 1 0 389.543 1.088 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NCC1CC[NH2+]CC1)C2 ZINC000659709917 531555296 /nfs/dbraw/zinc/55/52/96/531555296.db2.gz NCGZCUHNIPUUFO-UHFFFAOYSA-N 1 0 380.286 1.716 20 0 GDADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000491592054 531555317 /nfs/dbraw/zinc/55/53/17/531555317.db2.gz QSUWRNPOQRNQGJ-ZDUSSCGKSA-N 1 0 391.559 1.239 20 0 GDADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280912308 531555912 /nfs/dbraw/zinc/55/59/12/531555912.db2.gz PDSRUDQJQGOLOP-UHFFFAOYSA-N 1 0 383.905 1.682 20 0 GDADRO CCNS(=O)(=O)c1ccc(CNC(=O)CSCC[NH+](CC)CC)cc1 ZINC000268694541 531556312 /nfs/dbraw/zinc/55/63/12/531556312.db2.gz PRKCCYZDWICVNJ-UHFFFAOYSA-N 1 0 387.571 1.676 20 0 GDADRO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000492067555 531559269 /nfs/dbraw/zinc/55/92/69/531559269.db2.gz MQNWVUPJKWOMES-JKSUJKDBSA-N 1 0 376.567 1.658 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c2ncc(Br)cc12)N1CC[NH+](C)CC1 ZINC000280988410 531562935 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CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000660009802 531582465 /nfs/dbraw/zinc/58/24/65/531582465.db2.gz AWQFDXWWHPALIT-CQSZACIVSA-N 1 0 389.543 1.042 20 0 GDADRO C[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)Oc1ccc(Br)cc1 ZINC000636862863 531584510 /nfs/dbraw/zinc/58/45/10/531584510.db2.gz VRZIXRHYTXWSPI-OCCSQVGLSA-N 1 0 386.290 1.582 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000614065826 531587252 /nfs/dbraw/zinc/58/72/52/531587252.db2.gz VXBCKBAMGXCQPE-INIZCTEOSA-N 1 0 382.302 1.791 20 0 GDADRO CC1(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000583695019 531589716 /nfs/dbraw/zinc/58/97/16/531589716.db2.gz VSZIBVQXYSEHFO-UHFFFAOYSA-N 1 0 380.297 1.530 20 0 GDADRO CCC[NH2+][C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000583690293 531590313 /nfs/dbraw/zinc/59/03/13/531590313.db2.gz LLQJNCNEUQKTMR-LLVKDONJSA-N 1 0 379.935 1.623 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2c(C)cccc2Cl)CC1 ZINC000416384668 531591120 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386.290 1.502 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CC12CCSCC2 ZINC000583805488 531594986 /nfs/dbraw/zinc/59/49/86/531594986.db2.gz OSMFPDMFMGJACA-OAHLLOKOSA-N 1 0 386.587 1.873 20 0 GDADRO CNS(=O)(=O)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637073561 531597806 /nfs/dbraw/zinc/59/78/06/531597806.db2.gz DFVAFFJAVZDENV-ZDUSSCGKSA-N 1 0 397.328 1.445 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)C[C@@H]1[NH+](C)C ZINC000451354343 531596412 /nfs/dbraw/zinc/59/64/12/531596412.db2.gz RIFGPFOKRKVFTF-JKSUJKDBSA-N 1 0 385.555 1.947 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)C[C@H]1[NH+](C)C ZINC000451354340 531596606 /nfs/dbraw/zinc/59/66/06/531596606.db2.gz RIFGPFOKRKVFTF-CVEARBPZSA-N 1 0 385.555 1.947 20 0 GDADRO COc1cc(C)c(Br)cc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614504807 531598757 /nfs/dbraw/zinc/59/87/57/531598757.db2.gz GBKARLXGCLBYNA-CYBMUJFWSA-N 1 0 382.302 1.886 20 0 GDADRO CC(C)OCC[C@H](O)C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 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1 0 375.922 1.559 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000269071215 531605303 /nfs/dbraw/zinc/60/53/03/531605303.db2.gz MTVNQIWWVAWJAF-UHFFFAOYSA-N 1 0 399.289 1.134 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)C1 ZINC000416417992 531607649 /nfs/dbraw/zinc/60/76/49/531607649.db2.gz ZJXZDUWNLSTCQJ-ZDUSSCGKSA-N 1 0 387.933 1.970 20 0 GDADRO O=C(Nc1nc(CC(F)(F)F)cs1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584041545 531608124 /nfs/dbraw/zinc/60/81/24/531608124.db2.gz NUTDHZYSPUHLLN-AWEZNQCLSA-N 1 0 376.404 1.789 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416421990 531611848 /nfs/dbraw/zinc/61/18/48/531611848.db2.gz HPZQXOJEXAQYQD-GFCCVEGCSA-N 1 0 392.905 1.762 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCc3cc(F)ccc3Br)CCN2C1=O ZINC000584064972 531612189 /nfs/dbraw/zinc/61/21/89/531612189.db2.gz SSRLREPBOHGYBW-JSGCOSHPSA-N 1 0 384.249 1.291 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000416427311 531612455 /nfs/dbraw/zinc/61/24/55/531612455.db2.gz PBGHATYBENVSSQ-BONVTDFDSA-N 1 0 385.917 1.769 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000559901044 531613494 /nfs/dbraw/zinc/61/34/94/531613494.db2.gz AITMYQWSCHDLME-LLVKDONJSA-N 1 0 377.304 1.556 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CCCO1 ZINC000584291114 531613835 /nfs/dbraw/zinc/61/38/35/531613835.db2.gz ZSPWNDOVDHFPSH-ZDUSSCGKSA-N 1 0 385.917 1.830 20 0 GDADRO Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000584370525 531617716 /nfs/dbraw/zinc/61/77/16/531617716.db2.gz UULYYJPPFRRHEP-CQSZACIVSA-N 1 0 392.518 1.264 20 0 GDADRO COCC(=O)N1CCC([NH2+]Cc2cc(O)c(OC)cc2Br)CC1 ZINC000494678866 531618515 /nfs/dbraw/zinc/61/85/15/531618515.db2.gz GIUFUPNUOXJIMM-UHFFFAOYSA-N 1 0 387.274 1.890 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[C@@H]1[NH3+] ZINC000269175131 531619985 /nfs/dbraw/zinc/61/99/85/531619985.db2.gz BJDYXUNQCROLHB-UGFHNGPFSA-N 1 0 380.286 1.998 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000494699120 531619209 /nfs/dbraw/zinc/61/92/09/531619209.db2.gz MKTKZFZUVJEHDJ-GFCCVEGCSA-N 1 0 375.516 1.016 20 0 GDADRO C[C@](O)(C[NH2+]Cc1cccc(I)c1)CN1CCOCC1 ZINC000560048569 531621324 /nfs/dbraw/zinc/62/13/24/531621324.db2.gz MAGXXTGHORLESG-HNNXBMFYSA-N 1 0 390.265 1.464 20 0 GDADRO Cc1ccc(C[C@@H](CO)CNC(=O)NCC[NH2+]C2CC2)cc1Br ZINC000637348578 531620858 /nfs/dbraw/zinc/62/08/58/531620858.db2.gz UVSJTWHMFPBJGW-CQSZACIVSA-N 1 0 384.318 1.960 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000416457696 531623035 /nfs/dbraw/zinc/62/30/35/531623035.db2.gz OMUJWUSSIBLTFX-SWLSCSKDSA-N 1 0 385.917 1.723 20 0 GDADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(CCNS(C)(=O)=O)s1)C2 ZINC000615624082 531622176 /nfs/dbraw/zinc/62/21/76/531622176.db2.gz VJAAIEQQGIALRP-KRWDZBQOSA-N 1 0 385.555 1.398 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000615656176 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O=C(NC[C@H]1CCC[N@H+]1CCCO)c1[nH]nc2ccc(Br)cc21 ZINC000452353944 531771988 /nfs/dbraw/zinc/77/19/88/531771988.db2.gz VDBJGXDQOAYYIT-GFCCVEGCSA-N 1 0 381.274 1.902 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417443906 531772381 /nfs/dbraw/zinc/77/23/81/531772381.db2.gz YBDGWXVIFQUYAP-BXUZGUMPSA-N 1 0 383.290 1.606 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000417589587 531783172 /nfs/dbraw/zinc/78/31/72/531783172.db2.gz VOYMNCFZDKSXIU-RYUDHWBXSA-N 1 0 385.306 1.833 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667265986 531774045 /nfs/dbraw/zinc/77/40/45/531774045.db2.gz IVOMZXVSAFMROM-GFCCVEGCSA-N 1 0 384.274 1.963 20 0 GDADRO C[C@@H](c1ncc(Br)cn1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641175362 531783190 /nfs/dbraw/zinc/78/31/90/531783190.db2.gz KMXJMAIQHAYJLO-NSHDSACASA-N 1 0 380.294 1.406 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417475687 531776057 /nfs/dbraw/zinc/77/60/57/531776057.db2.gz BBMRYVLYGVLLDC-TZMCWYRMSA-N 1 0 397.317 1.948 20 0 GDADRO CSc1ccc([C@@H](CNC(=O)NCCCCS(N)(=O)=O)[NH+](C)C)cc1 ZINC000297273296 531777016 /nfs/dbraw/zinc/77/70/16/531777016.db2.gz ITOYERSOVYHLKF-OAHLLOKOSA-N 1 0 388.559 1.379 20 0 GDADRO O=C(NCCCNC(=O)c1ccc(Br)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417494545 531777357 /nfs/dbraw/zinc/77/73/57/531777357.db2.gz YCSMWBRZFFYBMI-WDNDVIMCSA-N 1 0 381.274 1.086 20 0 GDADRO [NH3+]C[C@H](O)CCc1cn([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)nn1 ZINC000641108785 531777995 /nfs/dbraw/zinc/77/79/95/531777995.db2.gz NUAGOGQDTVWKSJ-IUODEOHRSA-N 1 0 384.267 1.815 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c1OC ZINC000508531354 531779396 /nfs/dbraw/zinc/77/93/96/531779396.db2.gz MQYAIHFDZKNDSV-JTQLQIEISA-N 1 0 389.905 1.469 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cn1 ZINC000622403740 531779509 /nfs/dbraw/zinc/77/95/09/531779509.db2.gz PCQAEXGLNNUPKX-UHFFFAOYSA-N 1 0 385.877 1.722 20 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ZXVAPKXYIZIBEG-UHFFFAOYSA-N 1 0 392.212 1.617 20 0 GDADRO C[C@H]([NH3+])c1ccc(CNC(=O)NCCNS(=O)(=O)c2cccs2)cc1 ZINC000417917685 531790137 /nfs/dbraw/zinc/79/01/37/531790137.db2.gz OHWBZNZCUUCQFO-LBPRGKRZSA-N 1 0 382.511 1.546 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC[NH2+]C1CC1 ZINC000592468032 531790277 /nfs/dbraw/zinc/79/02/77/531790277.db2.gz PFLBUZBFYIJQHU-AWEZNQCLSA-N 1 0 389.518 1.094 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000417922970 531790665 /nfs/dbraw/zinc/79/06/65/531790665.db2.gz GAEGGUWFFZDYDI-VHSXEESVSA-N 1 0 380.923 1.106 20 0 GDADRO CN(CCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)S(=O)(=O)c1cccs1 ZINC000417912930 531790803 /nfs/dbraw/zinc/79/08/03/531790803.db2.gz PIZBAMIYBHKCDQ-HDJSIYSDSA-N 1 0 388.559 1.433 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc(I)c(F)c1 ZINC000592469430 531791385 /nfs/dbraw/zinc/79/13/85/531791385.db2.gz OTMZIOTZFMRJSF-UHFFFAOYSA-N 1 0 391.228 1.408 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000417922971 531792563 /nfs/dbraw/zinc/79/25/63/531792563.db2.gz GAEGGUWFFZDYDI-ZJUUUORDSA-N 1 0 380.923 1.106 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000417941405 531793512 /nfs/dbraw/zinc/79/35/12/531793512.db2.gz ZOQUAYLGJMOELE-JTQLQIEISA-N 1 0 382.939 1.352 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000366957705 531793915 /nfs/dbraw/zinc/79/39/15/531793915.db2.gz FHOGTSIMPZTUGP-KRWDZBQOSA-N 1 0 375.535 1.647 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000297466763 531794165 /nfs/dbraw/zinc/79/41/65/531794165.db2.gz YDDVXUSDJYVICD-BMFZPTHFSA-N 1 0 385.555 1.425 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCO1 ZINC000418007664 531795614 /nfs/dbraw/zinc/79/56/14/531795614.db2.gz QJTVZOIRWBUJLM-FZMZJTMJSA-N 1 0 387.267 1.468 20 0 GDADRO Cc1csc([C@@H](C)CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000417996037 531795804 /nfs/dbraw/zinc/79/58/04/531795804.db2.gz BBOBXHPWQBQFBN-CMPLNLGQSA-N 1 0 379.452 1.690 20 0 GDADRO Cc1csc([C@@H](C)CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000417996040 531795892 /nfs/dbraw/zinc/79/58/92/531795892.db2.gz BBOBXHPWQBQFBN-JQWIXIFHSA-N 1 0 379.452 1.690 20 0 GDADRO C[NH2+]CCNC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000418017401 531796752 /nfs/dbraw/zinc/79/67/52/531796752.db2.gz SLQZKVAPWVCXJT-CQSZACIVSA-N 1 0 383.290 1.772 20 0 GDADRO CCn1c(C[NH2+]C[C@H](O)CN2CCOCC2)nc2cc(Br)ccc21 ZINC000563002456 531797072 /nfs/dbraw/zinc/79/70/72/531797072.db2.gz GLWRCPDXOJZQAJ-AWEZNQCLSA-N 1 0 397.317 1.601 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)NCC[C@H](C)[NH3+])C2=O)ccc1Br ZINC000418016352 531797831 /nfs/dbraw/zinc/79/78/31/531797831.db2.gz QYNLMRPXQGCIPJ-FZMZJTMJSA-N 1 0 383.290 1.899 20 0 GDADRO CCn1c(CNC(=O)N(CC[NH3+])CCO)nc2cc(Br)ccc21 ZINC000418071399 531799152 /nfs/dbraw/zinc/79/91/52/531799152.db2.gz WIIZOSZRXGNVML-UHFFFAOYSA-N 1 0 384.278 1.281 20 0 GDADRO NC(=O)[C@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000367001503 531799435 /nfs/dbraw/zinc/79/94/35/531799435.db2.gz FUVWCIMMEUUCTR-CZUORRHYSA-N 1 0 379.507 1.575 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000418075694 531799715 /nfs/dbraw/zinc/79/97/15/531799715.db2.gz PXOWAJCKDOKCAO-GFCCVEGCSA-N 1 0 381.832 1.540 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1nn(C)cc1I ZINC000418268260 531818510 /nfs/dbraw/zinc/81/85/10/531818510.db2.gz XHACOHNMWUDHLF-SECBINFHSA-N 1 0 379.246 1.197 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)NCc1nn(C)cc1I ZINC000418250531 531818685 /nfs/dbraw/zinc/81/86/85/531818685.db2.gz HFAKVDUQYJAPMR-SECBINFHSA-N 1 0 379.246 1.341 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000668674991 531804200 /nfs/dbraw/zinc/80/42/00/531804200.db2.gz WADXSYDVNGJLLP-UHFFFAOYSA-N 1 0 398.301 1.588 20 0 GDADRO OC1CCN(CC[NH2+]Cc2ccc(F)cc2I)CC1 ZINC000418111204 531804231 /nfs/dbraw/zinc/80/42/31/531804231.db2.gz GPTAHDCRMXTJIT-UHFFFAOYSA-N 1 0 378.229 1.977 20 0 GDADRO Cn1cc(I)c(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000418258596 531818800 /nfs/dbraw/zinc/81/88/00/531818800.db2.gz NUVBERNSNVYSHA-UWVGGRQHSA-N 1 0 391.257 1.341 20 0 GDADRO COC[C@@]1(CNC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CCC[NH2+]1 ZINC000514789724 531804621 /nfs/dbraw/zinc/80/46/21/531804621.db2.gz QBHULFJNOFBWPY-GTNSWQLSSA-N 1 0 388.295 1.997 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000514790642 531804928 /nfs/dbraw/zinc/80/49/28/531804928.db2.gz JTUKZIRCZKQAGO-WDEREUQCSA-N 1 0 381.420 1.344 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000418151060 531806600 /nfs/dbraw/zinc/80/66/00/531806600.db2.gz FARYDORKEBPHGK-GFCCVEGCSA-N 1 0 394.900 1.430 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)NCCOc1ccc(I)cc1 ZINC000418154318 531807348 /nfs/dbraw/zinc/80/73/48/531807348.db2.gz JUGBVOYDRMXHTR-SNVBAGLBSA-N 1 0 377.226 1.707 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418152739 531807468 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C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000269940018 531808720 /nfs/dbraw/zinc/80/87/20/531808720.db2.gz SZTZEEXLIZKRLF-OAHLLOKOSA-N 1 0 379.791 1.309 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418165781 531809795 /nfs/dbraw/zinc/80/97/95/531809795.db2.gz ILBVLJQHPCYYOJ-ZWNOBZJWSA-N 1 0 392.884 1.055 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc(OC)c1Br ZINC000563131626 531811027 /nfs/dbraw/zinc/81/10/27/531811027.db2.gz MOXROBJODODTRQ-DTWKUNHWSA-N 1 0 388.262 1.647 20 0 GDADRO COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1Br ZINC000453272171 531811764 /nfs/dbraw/zinc/81/17/64/531811764.db2.gz HSORSKVFPCQINP-HZMBPMFUSA-N 1 0 378.288 1.658 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)c3cncc(Cl)c3)CC2)CC1 ZINC000269954988 531812193 /nfs/dbraw/zinc/81/21/93/531812193.db2.gz HWFPQJCXGADHBO-UHFFFAOYSA-N 1 0 386.949 1.914 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000418171090 531812512 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GDADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NC[C@@H]1CCCC[NH2+]1 ZINC000669581551 531815980 /nfs/dbraw/zinc/81/59/80/531815980.db2.gz DQGXTCZVYPJMFG-LBPRGKRZSA-N 1 0 392.884 1.199 20 0 GDADRO C[NH+](C)CCCCNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000563180937 531816221 /nfs/dbraw/zinc/81/62/21/531816221.db2.gz VYHXHSBBTUREEO-UHFFFAOYSA-N 1 0 392.319 1.185 20 0 GDADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NC1CC[NH2+]CC1 ZINC000418306014 531821886 /nfs/dbraw/zinc/82/18/86/531821886.db2.gz JKTWVFUTPJMLRD-CYBMUJFWSA-N 1 0 384.318 1.960 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000563244613 531822018 /nfs/dbraw/zinc/82/20/18/531822018.db2.gz DQHJCYVQPKQLRX-HNNXBMFYSA-N 1 0 391.331 1.979 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1Cl ZINC000623737751 531822807 /nfs/dbraw/zinc/82/28/07/531822807.db2.gz KNCZDMMILROLMG-CJNGLKHVSA-N 1 0 383.857 1.708 20 0 GDADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000283028315 531823200 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C[NH+](C)CCCOc1ccc(NC(=O)c2ccc(S(N)(=O)=O)s2)cc1 ZINC000593265833 531825982 /nfs/dbraw/zinc/82/59/82/531825982.db2.gz XNMJVSZYIOWKRA-UHFFFAOYSA-N 1 0 383.495 1.978 20 0 GDADRO O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)NC1CC[NH2+]CC1 ZINC000418305937 531821179 /nfs/dbraw/zinc/82/11/79/531821179.db2.gz ISROVEDRRZTLMK-LBPRGKRZSA-N 1 0 388.281 1.790 20 0 GDADRO COC(=O)C1CC[NH+](CCCNC(=O)c2nscc2Br)CC1 ZINC000593407595 531832897 /nfs/dbraw/zinc/83/28/97/531832897.db2.gz PCFAVFUDAOLYBI-UHFFFAOYSA-N 1 0 390.303 1.911 20 0 GDADRO COc1cc(CNS(=O)(=O)CCn2ccnc2)c(Br)cc1O ZINC000641554160 531835047 /nfs/dbraw/zinc/83/50/47/531835047.db2.gz RQFAHRRDYXFCNZ-UHFFFAOYSA-N 1 0 390.259 1.479 20 0 GDADRO O=C(NCCCn1cc(Br)cn1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000297933116 531835084 /nfs/dbraw/zinc/83/50/84/531835084.db2.gz JQBSBPZGKZVPNU-AWEZNQCLSA-N 1 0 388.310 1.182 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000563421889 531835303 /nfs/dbraw/zinc/83/53/03/531835303.db2.gz 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C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418846676 531853035 /nfs/dbraw/zinc/85/30/35/531853035.db2.gz SKFHBJKPTDVSRQ-GXTWGEPZSA-N 1 0 382.302 1.612 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)s1 ZINC000641786912 531853054 /nfs/dbraw/zinc/85/30/54/531853054.db2.gz LJRUSOIFSKARKL-HNNXBMFYSA-N 1 0 387.571 1.038 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418846696 531853310 /nfs/dbraw/zinc/85/33/10/531853310.db2.gz SMKKVXPEZXXBCK-DFBGVHRSSA-N 1 0 382.302 1.882 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000418788945 531841375 /nfs/dbraw/zinc/84/13/75/531841375.db2.gz WCZCJJYAWJVQNM-ZBINZKHDSA-N 1 0 396.285 1.270 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000624405174 531842820 /nfs/dbraw/zinc/84/28/20/531842820.db2.gz DZBURFYJLINHHM-HIFRSBDPSA-N 1 0 389.543 1.647 20 0 GDADRO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C[NH2+]1 ZINC000624405377 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GDADRO CCOc1ccc(S(=O)(=O)N(C)CCOCC[NH3+])cc1Br ZINC000624409596 531844862 /nfs/dbraw/zinc/84/48/62/531844862.db2.gz HMDKWZVYKTYFGQ-UHFFFAOYSA-N 1 0 381.292 1.444 20 0 GDADRO CCCN(C(=O)c1cccs1)C1CCN(CCS(=O)(=O)N(C)C)CC1 ZINC000367539520 531845208 /nfs/dbraw/zinc/84/52/08/531845208.db2.gz ARLQWOAIEULHLE-UHFFFAOYSA-N 1 0 387.571 1.956 20 0 GDADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)N(C)C)c(Cl)c1 ZINC000298032177 531845259 /nfs/dbraw/zinc/84/52/59/531845259.db2.gz GDSNXIWCKCDJNR-LBPRGKRZSA-N 1 0 376.910 1.351 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1cc(Br)cs1)C1CC[NH+](C)CC1 ZINC000671158834 531846142 /nfs/dbraw/zinc/84/61/42/531846142.db2.gz LDQXTUZNIWAXMR-SNVBAGLBSA-N 1 0 388.331 1.973 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC[C@@H]1[NH3+] ZINC000418817351 531846452 /nfs/dbraw/zinc/84/64/52/531846452.db2.gz ZZBHIFZRQYFOFR-LHAJWOIZSA-N 1 0 398.276 1.756 20 0 GDADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418826104 531847255 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531859693 /nfs/dbraw/zinc/85/96/93/531859693.db2.gz FYZFSGBLSIVPNV-PELKAZGASA-N 1 0 386.221 1.006 20 0 GDADRO O=S(=O)(NC[C@H]1C[NH2+]CCO1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000563674003 531860964 /nfs/dbraw/zinc/86/09/64/531860964.db2.gz PVOHXQBXOFCKMX-TZMCWYRMSA-N 1 0 390.889 1.022 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418915123 531861266 /nfs/dbraw/zinc/86/12/66/531861266.db2.gz CDDLRNVOBYTSKK-OAHLLOKOSA-N 1 0 394.313 1.855 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642712764 531861445 /nfs/dbraw/zinc/86/14/45/531861445.db2.gz BYOZDEYUPMWODY-AWEZNQCLSA-N 1 0 382.302 1.940 20 0 GDADRO Cc1ccc(S(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c(F)c1F ZINC000624873111 531863420 /nfs/dbraw/zinc/86/34/20/531863420.db2.gz OIFOCNOKHKOMQW-UHFFFAOYSA-N 1 0 375.485 1.920 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000563805917 531863376 /nfs/dbraw/zinc/86/33/76/531863376.db2.gz MRAMYDXRSARVPG-KGLIPLIRSA-N 1 0 376.906 1.402 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N(C)CCC[NH3+])ccc1Br ZINC000563797098 531863621 /nfs/dbraw/zinc/86/36/21/531863621.db2.gz RJCZPIHGEJIFKV-UHFFFAOYSA-N 1 0 386.246 1.290 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000563799145 531864203 /nfs/dbraw/zinc/86/42/03/531864203.db2.gz SLHHIPQQFLNJMM-HNNXBMFYSA-N 1 0 397.317 1.517 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1)C1CC1 ZINC000418930901 531864674 /nfs/dbraw/zinc/86/46/74/531864674.db2.gz FGYRAEUPLODFAH-OAHLLOKOSA-N 1 0 394.313 1.841 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cn(-c3ccccc3Br)nn2)[C@H](C)C1 ZINC000563847187 531864976 /nfs/dbraw/zinc/86/49/76/531864976.db2.gz MJTPXPGGGQEAOP-ZIAGYGMSSA-N 1 0 394.317 1.917 20 0 GDADRO C[C@H](CSCCF)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000595011187 531865336 /nfs/dbraw/zinc/86/53/36/531865336.db2.gz YGPWBARTHGPKOJ-OAHLLOKOSA-N 1 0 389.562 1.804 20 0 GDADRO C[C@@H](c1ncc(Br)cn1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367847114 531870432 /nfs/dbraw/zinc/87/04/32/531870432.db2.gz HEJIVMYMSSZBEP-FZMZJTMJSA-N 1 0 382.306 1.714 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418950436 531870627 /nfs/dbraw/zinc/87/06/27/531870627.db2.gz ORLDPIWRLBPQDZ-WCQYABFASA-N 1 0 384.274 1.188 20 0 GDADRO C[C@H](c1ncc(Br)cn1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000367847113 531870722 /nfs/dbraw/zinc/87/07/22/531870722.db2.gz HEJIVMYMSSZBEP-BXUZGUMPSA-N 1 0 382.306 1.714 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418950516 531870772 /nfs/dbraw/zinc/87/07/72/531870772.db2.gz PCUXPBIZELZQCZ-VXGBXAGGSA-N 1 0 384.274 1.140 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418949309 531870922 /nfs/dbraw/zinc/87/09/22/531870922.db2.gz NZAREPMXHFUAAC-DOMZBBRYSA-N 1 0 398.301 1.578 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)CC[NH2+]1 ZINC000418951242 531871012 /nfs/dbraw/zinc/87/10/12/531871012.db2.gz WYGXQOQQYKZKGM-DGFSRKRXSA-N 1 0 380.286 1.809 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000595245063 531871359 /nfs/dbraw/zinc/87/13/59/531871359.db2.gz OUTKQWYGNKUJJJ-SSDOTTSWSA-N 1 0 390.209 1.037 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc(F)c1I ZINC000595244779 531871718 /nfs/dbraw/zinc/87/17/18/531871718.db2.gz MGXSBVYODIRXEV-SSDOTTSWSA-N 1 0 379.173 1.093 20 0 GDADRO COC[C@@H](CCO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000564975627 531873213 /nfs/dbraw/zinc/87/32/13/531873213.db2.gz NUHFXLCNCUHYMW-VXGBXAGGSA-N 1 0 382.682 1.829 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418970055 531873543 /nfs/dbraw/zinc/87/35/43/531873543.db2.gz KFSBKLADNYIEAV-UHFFFAOYSA-N 1 0 382.262 1.057 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1I ZINC000564970260 531873541 /nfs/dbraw/zinc/87/35/41/531873541.db2.gz FOXQLLHCAOPNEG-HTQZYQBOSA-N 1 0 393.200 1.611 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000595249225 531873698 /nfs/dbraw/zinc/87/36/98/531873698.db2.gz LEWKVLNCKIBOCO-UHFFFAOYSA-N 1 0 399.232 1.406 20 0 GDADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418964395 531874306 /nfs/dbraw/zinc/87/43/06/531874306.db2.gz JKEQSGCXWCVIRT-JTQLQIEISA-N 1 0 383.279 1.859 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000418983427 531876216 /nfs/dbraw/zinc/87/62/16/531876216.db2.gz CDZPVRWWRMRHTM-RBSFLKMASA-N 1 0 394.313 1.878 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1Br ZINC000419001371 531877695 /nfs/dbraw/zinc/87/76/95/531877695.db2.gz ARXWCDSENNFITR-GXFFZTMASA-N 1 0 386.290 1.734 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000566092508 531878165 /nfs/dbraw/zinc/87/81/65/531878165.db2.gz FOBOXMCHFKLSIK-TZMCWYRMSA-N 1 0 388.331 1.161 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000419002522 531879352 /nfs/dbraw/zinc/87/93/52/531879352.db2.gz BRNGMPARYZQNEO-UHIISALHSA-N 1 0 398.301 1.749 20 0 GDADRO O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566102349 531881173 /nfs/dbraw/zinc/88/11/73/531881173.db2.gz JPINFIVFTFALSV-YOEHRIQHSA-N 1 0 383.539 1.503 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000419018487 531881685 /nfs/dbraw/zinc/88/16/85/531881685.db2.gz HLKMJVFTCUKEKX-STQMWFEESA-N 1 0 384.318 1.858 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCC[NH3+] ZINC000566240435 531882295 /nfs/dbraw/zinc/88/22/95/531882295.db2.gz WTFRVKDAWFPFCE-INIZCTEOSA-N 1 0 381.523 1.315 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000566249899 531882662 /nfs/dbraw/zinc/88/26/62/531882662.db2.gz SORKWRIZEODUQZ-LBPRGKRZSA-N 1 0 381.420 1.473 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419024564 531882691 /nfs/dbraw/zinc/88/26/91/531882691.db2.gz QRJQLVKJQUNXIH-LBPRGKRZSA-N 1 0 382.302 1.755 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419025459 531883069 /nfs/dbraw/zinc/88/30/69/531883069.db2.gz SJNXJISQGWVHJC-STQMWFEESA-N 1 0 382.302 1.707 20 0 GDADRO C[NH+]1CCN(CCNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000298386817 531883233 /nfs/dbraw/zinc/88/32/33/531883233.db2.gz DMJDEBBSSGASKL-HNNXBMFYSA-N 1 0 382.917 1.507 20 0 GDADRO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000367830237 531869642 /nfs/dbraw/zinc/86/96/42/531869642.db2.gz AZLXOTPCYXWBEK-IUCAKERBSA-N 1 0 395.250 1.199 20 0 GDADRO O=C1[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000564873304 531869838 /nfs/dbraw/zinc/86/98/38/531869838.db2.gz MLHDBCYRXUNMKM-AWEZNQCLSA-N 1 0 390.864 1.114 20 0 GDADRO CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)[C@H](C[NH3+])C1 ZINC000566682301 531891342 /nfs/dbraw/zinc/89/13/42/531891342.db2.gz PPSKLAUGXSFECI-OAHLLOKOSA-N 1 0 387.933 1.782 20 0 GDADRO CC[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC[C@@H]1[NH3+] ZINC000647004406 531891965 /nfs/dbraw/zinc/89/19/65/531891965.db2.gz KTRSVAKVALOYDP-ILXRZTDVSA-N 1 0 385.555 1.795 20 0 GDADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)[NH+](C)C ZINC000674266682 531893454 /nfs/dbraw/zinc/89/34/54/531893454.db2.gz WYRSQQUPIFSKIZ-NSHDSACASA-N 1 0 394.324 1.776 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419054737 531894198 /nfs/dbraw/zinc/89/41/98/531894198.db2.gz MVBASLLYWIERSB-CHWSQXEVSA-N 1 0 382.302 1.612 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419053975 531894341 /nfs/dbraw/zinc/89/43/41/531894341.db2.gz LAQOLXAUGPSZJC-FPMFFAJLSA-N 1 0 380.286 1.174 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000298525397 531899603 /nfs/dbraw/zinc/89/96/03/531899603.db2.gz XRBRWZZVNFFOQS-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1sc2c(c1I)CNC2 ZINC000595949440 531895020 /nfs/dbraw/zinc/89/50/20/531895020.db2.gz DKVRNSXQIMMKKD-IONNQARKSA-N 1 0 391.278 1.684 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419057679 531895099 /nfs/dbraw/zinc/89/50/99/531895099.db2.gz VBGMFYUJRVXDPR-ZYHUDNBSSA-N 1 0 386.265 1.585 20 0 GDADRO CC1([NH3+])CCN(C(=O)c2sc3c(c2I)CNC3)CC1 ZINC000595948753 531895147 /nfs/dbraw/zinc/89/51/47/531895147.db2.gz AWTHJSLOCRMTFG-UHFFFAOYSA-N 1 0 391.278 1.909 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000419056335 531895443 /nfs/dbraw/zinc/89/54/43/531895443.db2.gz QSHHZGYOOSHFDZ-JMSVASOKSA-N 1 0 382.302 1.753 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419056178 531895507 /nfs/dbraw/zinc/89/55/07/531895507.db2.gz QFRXMRWWJUFBBA-ZIAGYGMSSA-N 1 0 382.302 1.836 20 0 GDADRO O=C(COc1ccc(F)cc1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707152 531895924 /nfs/dbraw/zinc/89/59/24/531895924.db2.gz XBZUYUWMEKYBIJ-CHWSQXEVSA-N 1 0 387.249 1.635 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1cc(Br)cs1 ZINC000283788844 531895979 /nfs/dbraw/zinc/89/59/79/531895979.db2.gz GHMDLTPJNKBOPL-MFKMUULPSA-N 1 0 388.331 1.925 20 0 GDADRO O=C(COC1CC[NH2+]CC1)NCCc1ccc(I)cc1 ZINC000595949338 531896016 /nfs/dbraw/zinc/89/60/16/531896016.db2.gz XOKFGUDREIYJHS-UHFFFAOYSA-N 1 0 388.249 1.719 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419059388 531896452 /nfs/dbraw/zinc/89/64/52/531896452.db2.gz XVGGSSCMPHIAHP-GFCCVEGCSA-N 1 0 382.302 1.755 20 0 GDADRO O=C(COc1ccc(F)cc1Br)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707153 531896562 /nfs/dbraw/zinc/89/65/62/531896562.db2.gz XBZUYUWMEKYBIJ-OLZOCXBDSA-N 1 0 387.249 1.635 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000567579494 531898052 /nfs/dbraw/zinc/89/80/52/531898052.db2.gz FVXXIVFVDXCAHT-HNNXBMFYSA-N 1 0 397.317 1.915 20 0 GDADRO CC1(C)CN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000419075883 531898164 /nfs/dbraw/zinc/89/81/64/531898164.db2.gz GUFKPXKHTSETFS-UHFFFAOYSA-N 1 0 394.313 1.807 20 0 GDADRO O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000567599339 531899258 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531888512 /nfs/dbraw/zinc/88/85/12/531888512.db2.gz ROBDJLDQHGBMQK-CYBMUJFWSA-N 1 0 382.258 1.339 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566505461 531889088 /nfs/dbraw/zinc/88/90/88/531889088.db2.gz WLALYAQZDZJKSS-NEPJUHHUSA-N 1 0 397.273 1.624 20 0 GDADRO CCS(=O)(=O)NCc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000270541066 531889549 /nfs/dbraw/zinc/88/95/49/531889549.db2.gz XSKUNYVVYVWDIS-JKSUJKDBSA-N 1 0 385.555 1.244 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000419045941 531889843 /nfs/dbraw/zinc/88/98/43/531889843.db2.gz USDICIRIVWNFJD-LPEHRKFASA-N 1 0 378.420 1.925 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(I)cn2)C[C@@H]1[NH+](C)C ZINC000456002432 531889884 /nfs/dbraw/zinc/88/98/84/531889884.db2.gz NMZPAOZHOHHTFM-RYUDHWBXSA-N 1 0 391.278 1.804 20 0 GDADRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)s1)C[NH+]1CCN(C)CC1 ZINC000283870326 531905412 /nfs/dbraw/zinc/90/54/12/531905412.db2.gz NFUQGJGYUPTTHQ-CYBMUJFWSA-N 1 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GDADRO CN(CC(C)(C)[NH3+])C(=O)c1sc2c(c1I)CNC2 ZINC000595962854 531899786 /nfs/dbraw/zinc/89/97/86/531899786.db2.gz VUWUIKXMVQBYCJ-UHFFFAOYSA-N 1 0 379.267 1.765 20 0 GDADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)s1 ZINC000674650955 531900310 /nfs/dbraw/zinc/90/03/10/531900310.db2.gz JNNQMHSNVQGUPS-NSHDSACASA-N 1 0 380.495 1.985 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)s2)[C@@H]1C[NH3+] ZINC000419105688 531900378 /nfs/dbraw/zinc/90/03/78/531900378.db2.gz BZMIGWSNDNFVFR-ZYHUDNBSSA-N 1 0 388.331 1.755 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000567820170 531902664 /nfs/dbraw/zinc/90/26/64/531902664.db2.gz HCHCGACYZFTJPQ-GHMZBOCLSA-N 1 0 394.950 1.543 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000298597919 531902838 /nfs/dbraw/zinc/90/28/38/531902838.db2.gz DDMGGTMWTQXJGF-UHFFFAOYSA-N 1 0 377.413 1.078 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CCO1 ZINC000419128520 531903263 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20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000419259050 531920064 /nfs/dbraw/zinc/92/00/64/531920064.db2.gz KNDZGOHPEXSFIX-UHFFFAOYSA-N 1 0 384.274 1.330 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419260812 531920080 /nfs/dbraw/zinc/92/00/80/531920080.db2.gz PDOVKRYFCNKCJE-UHFFFAOYSA-N 1 0 386.290 1.387 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COc1ccc(Br)cc1 ZINC000649080704 531920316 /nfs/dbraw/zinc/92/03/16/531920316.db2.gz CQLDQMQWMKPKOR-LBPRGKRZSA-N 1 0 384.274 1.406 20 0 GDADRO COc1ncc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1Br ZINC000649128841 531921207 /nfs/dbraw/zinc/92/12/07/531921207.db2.gz AYPAVYUGFSYWIW-UHFFFAOYSA-N 1 0 384.274 1.790 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419300597 531921455 /nfs/dbraw/zinc/92/14/55/531921455.db2.gz MGJBFMINIILQIJ-QWHCGFSZSA-N 1 0 382.302 1.878 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000419294599 531921878 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CN(C[C@H](O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)C1CC1 ZINC000625796664 531915892 /nfs/dbraw/zinc/91/58/92/531915892.db2.gz KZJUWHOCKKLKPN-QZTJIDSGSA-N 1 0 383.330 1.714 20 0 GDADRO C[NH2+]CCOCCNC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000625890533 531916860 /nfs/dbraw/zinc/91/68/60/531916860.db2.gz LYXNWUXPJHPQLY-UHFFFAOYSA-N 1 0 382.262 1.992 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)Cc1cccc(Br)c1 ZINC000419366146 531929194 /nfs/dbraw/zinc/92/91/94/531929194.db2.gz SAZSIBUPLVEQDM-ZIAGYGMSSA-N 1 0 396.329 1.954 20 0 GDADRO CC[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000419359528 531929250 /nfs/dbraw/zinc/92/92/50/531929250.db2.gz KNHSKICDVFCNCH-AWEZNQCLSA-N 1 0 396.329 1.956 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2OC)C1 ZINC000419360394 531930215 /nfs/dbraw/zinc/93/02/15/531930215.db2.gz RQSRQXRXJQXLHW-LBPRGKRZSA-N 1 0 398.301 1.532 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)CC[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000419411213 531931380 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C[NH+]1CCC(NC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)CC1 ZINC000270871712 531934005 /nfs/dbraw/zinc/93/40/05/531934005.db2.gz LSTNMQMEBZIUPS-OAHLLOKOSA-N 1 0 395.301 1.726 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC000419473565 531934938 /nfs/dbraw/zinc/93/49/38/531934938.db2.gz DQFOAFADWRAJNL-YGRLFVJLSA-N 1 0 388.281 1.735 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000570125419 531935745 /nfs/dbraw/zinc/93/57/45/531935745.db2.gz PYJANUYFKGAFKA-MLGOLLRUSA-N 1 0 382.258 1.058 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000419567640 531936498 /nfs/dbraw/zinc/93/64/98/531936498.db2.gz IXFSNIYDFXKTFY-ZWNOBZJWSA-N 1 0 388.299 1.550 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(Cl)c(F)c2)C1 ZINC000651546410 531937327 /nfs/dbraw/zinc/93/73/27/531937327.db2.gz SWSMPIJKLRFSTF-NSHDSACASA-N 1 0 377.869 1.345 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000626848742 531937856 /nfs/dbraw/zinc/93/78/56/531937856.db2.gz HTJFJLBUNRGESD-ZDUSSCGKSA-N 1 0 385.873 1.083 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C[C@@H](C)[NH2+]1 ZINC000419588373 531938419 /nfs/dbraw/zinc/93/84/19/531938419.db2.gz OVIURGUEKWTXJD-HFAKWTLXSA-N 1 0 380.286 1.761 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419584061 531938617 /nfs/dbraw/zinc/93/86/17/531938617.db2.gz IBPRXYPQEIJYKY-NZVBXONLSA-N 1 0 380.286 1.809 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCOCC1 ZINC000626859605 531938646 /nfs/dbraw/zinc/93/86/46/531938646.db2.gz USQUINMTYMXATF-UHFFFAOYSA-N 1 0 392.200 1.290 20 0 GDADRO Cc1c(Cl)cncc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626859927 531938809 /nfs/dbraw/zinc/93/88/09/531938809.db2.gz MMZLKCBWRDJSGK-ZJUUUORDSA-N 1 0 378.782 1.968 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)CCOCC1 ZINC000626858958 531938974 /nfs/dbraw/zinc/93/89/74/531938974.db2.gz HDZUNEPOIZQTJA-UHFFFAOYSA-N 1 0 390.665 1.665 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000626863526 531939305 /nfs/dbraw/zinc/93/93/05/531939305.db2.gz KHRCPGQTQOHAKZ-WDEREUQCSA-N 1 0 376.201 1.923 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000270826249 531928239 /nfs/dbraw/zinc/92/82/39/531928239.db2.gz CAPIODBVOBCKCQ-UHFFFAOYSA-N 1 0 396.289 1.680 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000419609196 531940764 /nfs/dbraw/zinc/94/07/64/531940764.db2.gz IWDVGHJORNBFPL-LBPRGKRZSA-N 1 0 386.290 1.401 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)Oc1ccc(Br)cc1 ZINC000419613478 531941069 /nfs/dbraw/zinc/94/10/69/531941069.db2.gz NRYYXDDVWCRHOO-LBPRGKRZSA-N 1 0 398.301 1.591 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419620684 531942398 /nfs/dbraw/zinc/94/23/98/531942398.db2.gz DZXAVBIIEXGGAS-MJVIPROJSA-N 1 0 386.290 1.352 20 0 GDADRO COC[C@]1(CNC(=O)NCc2cc(Br)cnc2OC)CCC[NH2+]1 ZINC000627091937 531943068 /nfs/dbraw/zinc/94/30/68/531943068.db2.gz FKWLNFVTMRJTNF-OAHLLOKOSA-N 1 0 387.278 1.421 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000419614028 531943186 /nfs/dbraw/zinc/94/31/86/531943186.db2.gz OCTHBBTZSCQVEL-NWDGAFQWSA-N 1 0 384.274 1.153 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000627036506 531943247 /nfs/dbraw/zinc/94/32/47/531943247.db2.gz IQBUQGNDYGNSNI-UONOGXRCSA-N 1 0 388.921 1.366 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000457087571 531944981 /nfs/dbraw/zinc/94/49/81/531944981.db2.gz QDHFBHCAUZDHTB-HNNXBMFYSA-N 1 0 387.933 1.950 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)Oc1ccccc1Br ZINC000419625620 531945650 /nfs/dbraw/zinc/94/56/50/531945650.db2.gz WRVXZODOTOCHPN-XQQFMLRXSA-N 1 0 398.301 1.541 20 0 GDADRO CC1(C)CCC[N@@H+]1CCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000457076606 531945670 /nfs/dbraw/zinc/94/56/70/531945670.db2.gz OBBPQVNHPHEFEU-UHFFFAOYSA-N 1 0 387.933 1.999 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419639415 531946409 /nfs/dbraw/zinc/94/64/09/531946409.db2.gz GZFRGSNOBJUOAW-GXTWGEPZSA-N 1 0 397.317 1.116 20 0 GDADRO O=C(NCc1cccc(Br)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419636227 531946845 /nfs/dbraw/zinc/94/68/45/531946845.db2.gz GZMURCUFUNBUJJ-GZBFAFLISA-N 1 0 380.286 1.570 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000419636151 531946974 /nfs/dbraw/zinc/94/69/74/531946974.db2.gz JOFRSXUXHCYROJ-SNVBAGLBSA-N 1 0 380.436 1.652 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000571056266 531947696 /nfs/dbraw/zinc/94/76/96/531947696.db2.gz ZVSGQYLLLHDZMP-LLVKDONJSA-N 1 0 385.262 1.342 20 0 GDADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000652381516 531948251 /nfs/dbraw/zinc/94/82/51/531948251.db2.gz RXKPMESCVBCAIT-UHFFFAOYSA-N 1 0 381.523 1.625 20 0 GDADRO C[C@]([NH2+]CC1CCS(=O)(=O)CC1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000270965825 531948289 /nfs/dbraw/zinc/94/82/89/531948289.db2.gz BMWLSKSODYCEKZ-OAHLLOKOSA-N 1 0 378.416 1.820 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cccc3nsnc32)C1 ZINC000652384530 531948297 /nfs/dbraw/zinc/94/82/97/531948297.db2.gz CFSWNSUODPSWRV-BNOWGMLFSA-N 1 0 382.511 1.741 20 0 GDADRO COc1cc(Br)c(C[NH2+][C@H]2CCc3nnnn3CC2)cc1OC ZINC000571071386 531949269 /nfs/dbraw/zinc/94/92/69/531949269.db2.gz CDXYBVRDVWJTTP-NSHDSACASA-N 1 0 382.262 1.948 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)CC2)c(C)s1 ZINC000571073356 531949437 /nfs/dbraw/zinc/94/94/37/531949437.db2.gz XJCNHQKDSMFVMU-WFASDCNBSA-N 1 0 385.555 1.586 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627393764 531951236 /nfs/dbraw/zinc/95/12/36/531951236.db2.gz JTZHPVFHEQVHQC-GVXVVHGQSA-N 1 0 398.301 1.892 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419670852 531951343 /nfs/dbraw/zinc/95/13/43/531951343.db2.gz FDMXZMKNQKBYDS-ZDUSSCGKSA-N 1 0 381.274 1.646 20 0 GDADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419595602 531940060 /nfs/dbraw/zinc/94/00/60/531940060.db2.gz PEVZSZHPIZETOU-GFCCVEGCSA-N 1 0 387.311 1.062 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000626869640 531940516 /nfs/dbraw/zinc/94/05/16/531940516.db2.gz JDHWQGPUPUGTQA-UHFFFAOYSA-N 1 0 378.654 1.393 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000572149406 531959509 /nfs/dbraw/zinc/95/95/09/531959509.db2.gz CQCVLWDMNLWSSY-VXGBXAGGSA-N 1 0 397.324 1.747 20 0 GDADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000653717337 531960491 /nfs/dbraw/zinc/96/04/91/531960491.db2.gz UOORIVQIJVJKIH-IAGOWNOFSA-N 1 0 399.329 1.985 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000654069131 531961778 /nfs/dbraw/zinc/96/17/78/531961778.db2.gz ZIQIGXCSDNQJCE-BJHJDKERSA-N 1 0 396.285 1.631 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000598001275 531962646 /nfs/dbraw/zinc/96/26/46/531962646.db2.gz YPUVJNLQMCUWKR-GDBMZVCRSA-N 1 0 387.571 1.543 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C(=O)OC)c1ccc(OC)c(Cl)c1 ZINC000572326487 531963187 /nfs/dbraw/zinc/96/31/87/531963187.db2.gz VZMUIXZDFXZCGP-OAHLLOKOSA-N 1 0 392.905 1.824 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(Br)cc3c2OCC3)CC[C@H]1[NH3+] ZINC000419676911 531952346 /nfs/dbraw/zinc/95/23/46/531952346.db2.gz NIVNHTAPYAJZJW-IINYFYTJSA-N 1 0 396.285 1.196 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419674132 531952494 /nfs/dbraw/zinc/95/24/94/531952494.db2.gz JQLCWALLTMFPMV-NSHDSACASA-N 1 0 393.285 1.662 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000627456928 531953018 /nfs/dbraw/zinc/95/30/18/531953018.db2.gz CYGSNDGPHAMVJV-LSDHHAIUSA-N 1 0 380.286 1.591 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000270996432 531953626 /nfs/dbraw/zinc/95/36/26/531953626.db2.gz BCAGMGBEGOBJLV-BBRMVZONSA-N 1 0 399.333 1.418 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(Br)cc3c2OCC3)C[C@@H](C)[NH2+]1 ZINC000419679548 531953769 /nfs/dbraw/zinc/95/37/69/531953769.db2.gz QPXCDNGGEPFQGA-GHMZBOCLSA-N 1 0 396.285 1.209 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419684077 531954610 /nfs/dbraw/zinc/95/46/10/531954610.db2.gz XYDOZSWBJAGMRH-AWEZNQCLSA-N 1 0 393.285 1.757 20 0 GDADRO C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)Oc1cccc(Br)c1 ZINC000572346983 531965451 /nfs/dbraw/zinc/96/54/51/531965451.db2.gz KZYYXFIVCCDTGQ-IUODEOHRSA-N 1 0 386.290 1.894 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000419761980 531966696 /nfs/dbraw/zinc/96/66/96/531966696.db2.gz QUXWYLFJQJWXTO-XHDPSFHLSA-N 1 0 385.295 1.542 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419757909 531966772 /nfs/dbraw/zinc/96/67/72/531966772.db2.gz JLJARXFXIPOXTL-VXGBXAGGSA-N 1 0 387.311 1.660 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419776319 531967816 /nfs/dbraw/zinc/96/78/16/531967816.db2.gz KDRMWFRVLCHPJP-BONVTDFDSA-N 1 0 398.276 1.976 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000419775566 531967830 /nfs/dbraw/zinc/96/78/30/531967830.db2.gz JNFFKXFRKCOTKJ-TUAOUCFPSA-N 1 0 398.301 1.844 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cnn(-c3ccccn3)c2C)C[C@H]1[NH+](C)C ZINC000271111149 531968626 /nfs/dbraw/zinc/96/86/26/531968626.db2.gz PVJWKCRRNVSFMA-KGLIPLIRSA-N 1 0 381.527 1.242 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000419781568 531968831 /nfs/dbraw/zinc/96/88/31/531968831.db2.gz PRADFZJKNRRJGP-YMTOWFKASA-N 1 0 386.265 1.867 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000419784649 531969182 /nfs/dbraw/zinc/96/91/82/531969182.db2.gz UWSQSGIPNCCRJF-LSDHHAIUSA-N 1 0 398.276 1.976 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000572840052 531972019 /nfs/dbraw/zinc/97/20/19/531972019.db2.gz KJNRVQXLGDYKJJ-RISCZKNCSA-N 1 0 398.301 1.893 20 0 GDADRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419812775 531972182 /nfs/dbraw/zinc/97/21/82/531972182.db2.gz TWDJGKPQWXWTIN-VIFPVBQESA-N 1 0 378.292 1.099 20 0 GDADRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000419811937 531972252 /nfs/dbraw/zinc/97/22/52/531972252.db2.gz HRUFJGXWHOLEDK-RDJZCZTQSA-N 1 0 387.318 1.897 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419810493 531972813 /nfs/dbraw/zinc/97/28/13/531972813.db2.gz HFAZZOHEZFNESX-CYBMUJFWSA-N 1 0 394.313 1.922 20 0 GDADRO [NH3+]CCNC(=O)C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000419823758 531973445 /nfs/dbraw/zinc/97/34/45/531973445.db2.gz YFKSCWDWKWJCIZ-GFCCVEGCSA-N 1 0 387.221 1.030 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419819552 531973472 /nfs/dbraw/zinc/97/34/72/531973472.db2.gz MCEABBIAASUCTR-SWLSCSKDSA-N 1 0 382.302 1.755 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)NCCCC[NH3+] ZINC000419832674 531974802 /nfs/dbraw/zinc/97/48/02/531974802.db2.gz NYCLXUDCHAGEFX-UHFFFAOYSA-N 1 0 382.302 1.794 20 0 GDADRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@H](C)O1 ZINC000419828049 531975218 /nfs/dbraw/zinc/97/52/18/531975218.db2.gz YEKIFDRMWYOPQC-SCVCMEIPSA-N 1 0 377.304 2.000 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000419828527 531975525 /nfs/dbraw/zinc/97/55/25/531975525.db2.gz RZDQFMDKXHKKLU-LBPRGKRZSA-N 1 0 382.302 1.707 20 0 GDADRO CN(C(=O)C(=O)NCCCC[NH3+])[C@@H]1CCOc2ccc(Br)cc21 ZINC000419834785 531975593 /nfs/dbraw/zinc/97/55/93/531975593.db2.gz TUGRZRMNDMSVGY-CYBMUJFWSA-N 1 0 384.274 1.586 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000419845168 531976294 /nfs/dbraw/zinc/97/62/94/531976294.db2.gz NBAKFOJYMPHDPR-UHFFFAOYSA-N 1 0 376.682 1.787 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000299293867 531977023 /nfs/dbraw/zinc/97/70/23/531977023.db2.gz QNUGSDCSGMJSMX-LLVKDONJSA-N 1 0 394.324 1.872 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000419851036 531977767 /nfs/dbraw/zinc/97/77/67/531977767.db2.gz AJVNKVKEEUCQKW-LBPRGKRZSA-N 1 0 396.285 1.286 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000420001326 531994940 /nfs/dbraw/zinc/99/49/40/531994940.db2.gz VDZIJWYXBKSZFL-VIFPVBQESA-N 1 0 376.682 1.914 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000573906131 531993454 /nfs/dbraw/zinc/99/34/54/531993454.db2.gz XPBPAFVIBIUWLO-UKRRQHHQSA-N 1 0 395.301 1.996 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000574097849 531993913 /nfs/dbraw/zinc/99/39/13/531993913.db2.gz GAPWYNMITMDXMI-TXEJJXNPSA-N 1 0 391.896 1.746 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299470671 531994182 /nfs/dbraw/zinc/99/41/82/531994182.db2.gz YMJCSJANZBWTKI-UHFFFAOYSA-N 1 0 390.315 1.514 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000419863186 531979426 /nfs/dbraw/zinc/97/94/26/531979426.db2.gz NOHOOATVXPSKLG-HUUCEWRRSA-N 1 0 380.286 1.966 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N(C)CCC[NH3+])cc(Br)c1F ZINC000573341169 531979640 /nfs/dbraw/zinc/97/96/40/531979640.db2.gz DDMUUZOGZFSNSI-UHFFFAOYSA-N 1 0 390.209 1.121 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000419864450 531979844 /nfs/dbraw/zinc/97/98/44/531979844.db2.gz DMMDHCSOYQYPMO-GFCCVEGCSA-N 1 0 386.315 1.780 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419882164 531980979 /nfs/dbraw/zinc/98/09/79/531980979.db2.gz LYVYXVHKJYXZOM-WCQYABFASA-N 1 0 386.279 1.841 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000419887551 531982239 /nfs/dbraw/zinc/98/22/39/531982239.db2.gz FFEWNXUGSFHGNR-VNHYZAJKSA-N 1 0 395.301 1.894 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419889078 531982359 /nfs/dbraw/zinc/98/23/59/531982359.db2.gz KRVVJFWQPRVOCK-CQSZACIVSA-N 1 0 398.301 1.545 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000419901980 531984066 /nfs/dbraw/zinc/98/40/66/531984066.db2.gz VJBRWDFCDSCDSW-RISCZKNCSA-N 1 0 384.274 1.073 20 0 GDADRO O[C@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)Cn1cccn1 ZINC000573438494 531984634 /nfs/dbraw/zinc/98/46/34/531984634.db2.gz GSIVEDHXMSBOKK-MRXNPFEDSA-N 1 0 376.258 1.982 20 0 GDADRO CO[C@@H](CS(=O)(=O)NCC1(O)CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000656934665 531984853 /nfs/dbraw/zinc/98/48/53/531984853.db2.gz KMQKTIWGEMDMRY-KRWDZBQOSA-N 1 0 376.563 1.736 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000573437330 531984984 /nfs/dbraw/zinc/98/49/84/531984984.db2.gz AZVPCXKFGBPJNX-BFVZDQMLSA-N 1 0 379.935 1.525 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419928234 531986713 /nfs/dbraw/zinc/98/67/13/531986713.db2.gz XSKLNCCJKZDPLO-CYBMUJFWSA-N 1 0 398.301 1.402 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)C1 ZINC000299404382 531986776 /nfs/dbraw/zinc/98/67/76/531986776.db2.gz WUXDKKQMMRXNCN-AWEZNQCLSA-N 1 0 387.571 1.690 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000573555852 531986825 /nfs/dbraw/zinc/98/68/25/531986825.db2.gz MULFNXWUAODCLG-AWEZNQCLSA-N 1 0 396.285 1.381 20 0 GDADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419930771 531988680 /nfs/dbraw/zinc/98/86/80/531988680.db2.gz YWIZPPHWBUQNGK-IAQYHMDHSA-N 1 0 396.285 1.073 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccsc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370517191 531989921 /nfs/dbraw/zinc/98/99/21/531989921.db2.gz HNFXJFMFBTXJFW-OCCSQVGLSA-N 1 0 384.933 1.824 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000419958156 531990126 /nfs/dbraw/zinc/99/01/26/531990126.db2.gz UTDFMTJOHAGZNV-DOMZBBRYSA-N 1 0 398.301 1.321 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000419951532 531990167 /nfs/dbraw/zinc/99/01/67/531990167.db2.gz JRZVEQQAGLSTFL-NSHDSACASA-N 1 0 376.320 1.959 20 0 GDADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420011476 531996231 /nfs/dbraw/zinc/99/62/31/531996231.db2.gz YWIWPBSFWHRWHO-RISCZKNCSA-N 1 0 398.301 1.975 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000420018844 531996957 /nfs/dbraw/zinc/99/69/57/531996957.db2.gz QFYCVPHTAYZCGC-OAHLLOKOSA-N 1 0 390.311 1.804 20 0 GDADRO Cc1nc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000370622090 531997419 /nfs/dbraw/zinc/99/74/19/531997419.db2.gz KSXBYVFIIHFYHM-RYUDHWBXSA-N 1 0 381.274 1.834 20 0 GDADRO COCCC[NH+]1CCC(NCc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631061285 531998034 /nfs/dbraw/zinc/99/80/34/531998034.db2.gz OSKBVTFBVIFXEL-UHFFFAOYSA-N 1 0 375.922 1.578 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420045002 531999327 /nfs/dbraw/zinc/99/93/27/531999327.db2.gz QKVAWTBGSAUGLY-QMTHXVAHSA-N 1 0 386.265 1.790 20 0 GDADRO Cc1nc(C)c(S(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657084042 531998642 /nfs/dbraw/zinc/99/86/42/531998642.db2.gz GXDMKTYUSMWTEM-MRXNPFEDSA-N 1 0 381.523 1.805 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000420108511 532002683 /nfs/dbraw/zinc/00/26/83/532002683.db2.gz CIRYJPONQIFMQS-KCPJHIHWSA-N 1 0 395.301 1.622 20 0 GDADRO Cc1nc(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)sc1Br ZINC000458938811 532002709 /nfs/dbraw/zinc/00/27/09/532002709.db2.gz ZXYUAJXFFKWYAJ-LLVKDONJSA-N 1 0 391.335 1.860 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000420109821 532002797 /nfs/dbraw/zinc/00/27/97/532002797.db2.gz DYUVEIVXMRTRCH-IINYFYTJSA-N 1 0 386.265 1.661 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000420113211 532002852 /nfs/dbraw/zinc/00/28/52/532002852.db2.gz DZSCJFBDGUTDRX-CHWSQXEVSA-N 1 0 384.933 1.302 20 0 GDADRO O=C(c1ccsc1)N1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631780207 532004350 /nfs/dbraw/zinc/00/43/50/532004350.db2.gz RYSFNTONEOYSGE-UHFFFAOYSA-N 1 0 385.555 1.712 20 0 GDADRO C[C@]1(CNC(=O)C(=O)N2CCc3c(Br)cccc3C2)CCC[NH2+]C1 ZINC000420105932 532003151 /nfs/dbraw/zinc/00/31/51/532003151.db2.gz QZXWUCZVAWKWCC-SFHVURJKSA-N 1 0 394.313 1.840 20 0 GDADRO Cc1c(Br)cncc1C[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000657428928 532005542 /nfs/dbraw/zinc/00/55/42/532005542.db2.gz NWONFIOGHGYZNQ-DZGCQCFKSA-N 1 0 389.315 1.978 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000599105618 532005866 /nfs/dbraw/zinc/00/58/66/532005866.db2.gz ZFIHDZYAOSSULT-ZJUUUORDSA-N 1 0 386.417 1.683 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000420141441 532006197 /nfs/dbraw/zinc/00/61/97/532006197.db2.gz ROLBFURQMMCBBM-UHFFFAOYSA-N 1 0 394.269 1.206 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)c1F ZINC000599106057 532006247 /nfs/dbraw/zinc/00/62/47/532006247.db2.gz UPAXBIRKAINWBJ-LBPRGKRZSA-N 1 0 378.853 1.884 20 0 GDADRO COc1ncc(NC(=O)C(=O)NCC[NH+]2CCCCC2)c(C)c1Br ZINC000657514628 532006775 /nfs/dbraw/zinc/00/67/75/532006775.db2.gz APXDDKNWOMCYQL-UHFFFAOYSA-N 1 0 399.289 1.702 20 0 GDADRO CCOC[C@@H](O)C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000574983101 532007178 /nfs/dbraw/zinc/00/71/78/532007178.db2.gz YEHIKWXSCLFBDT-AWEZNQCLSA-N 1 0 376.544 1.452 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(OC)c1 ZINC000574988832 532007450 /nfs/dbraw/zinc/00/74/50/532007450.db2.gz QWVQASCQZLPBTK-NEPJUHHUSA-N 1 0 393.531 1.251 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000420172700 532008206 /nfs/dbraw/zinc/00/82/06/532008206.db2.gz UJRITJDTVMNDFD-BDAKNGLRSA-N 1 0 375.313 1.586 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420200507 532009849 /nfs/dbraw/zinc/00/98/49/532009849.db2.gz MVJLMVBBTUWSFQ-ZYHUDNBSSA-N 1 0 386.265 1.790 20 0 GDADRO C[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)Oc1ccc(Cl)cc1 ZINC000632046704 532009844 /nfs/dbraw/zinc/00/98/44/532009844.db2.gz RJWZYZSLSYWTLL-OAHLLOKOSA-N 1 0 389.949 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532014229 /nfs/dbraw/zinc/01/42/29/532014229.db2.gz GZUFDEZOONACTC-VHSXEESVSA-N 1 0 393.303 1.872 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000420446939 532014749 /nfs/dbraw/zinc/01/47/49/532014749.db2.gz IGASPYKYKONHHU-UHFFFAOYSA-N 1 0 380.388 1.912 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c1 ZINC000420452459 532015917 /nfs/dbraw/zinc/01/59/17/532015917.db2.gz SMHXKGWNAVCVHD-LBPRGKRZSA-N 1 0 391.287 1.656 20 0 GDADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2cccc(O)c2Br)cn1 ZINC000459484921 532016743 /nfs/dbraw/zinc/01/67/43/532016743.db2.gz OGFRCQQUTDAIKA-UHFFFAOYSA-N 1 0 396.289 1.641 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000576159315 532018583 /nfs/dbraw/zinc/01/85/83/532018583.db2.gz VEZULXMXOSQJNA-AWEZNQCLSA-N 1 0 375.441 1.444 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420466276 532018847 /nfs/dbraw/zinc/01/88/47/532018847.db2.gz AMYDPWUJJGRLNW-NSHDSACASA-N 1 0 379.276 1.196 20 0 GDADRO 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389.543 1.380 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000576489806 532023554 /nfs/dbraw/zinc/02/35/54/532023554.db2.gz QLOPBSKVUGQNJK-SWLSCSKDSA-N 1 0 396.285 1.249 20 0 GDADRO CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000576521860 532023834 /nfs/dbraw/zinc/02/38/34/532023834.db2.gz YQEOGUODEAPPRT-UONOGXRCSA-N 1 0 396.285 1.599 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)nn2C)C[C@@H]1[NH+]1CCCC1 ZINC000599280249 532024648 /nfs/dbraw/zinc/02/46/48/532024648.db2.gz ZUKVSFUDAUJTAT-WDEREUQCSA-N 1 0 398.476 1.639 20 0 GDADRO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(I)cc1 ZINC000576704467 532026772 /nfs/dbraw/zinc/02/67/72/532026772.db2.gz SJULGUYYHYRWQD-RYUDHWBXSA-N 1 0 385.249 1.771 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCCOc2ccc(Cl)c(F)c2)CC1 ZINC000632410072 532027314 /nfs/dbraw/zinc/02/73/14/532027314.db2.gz UMPJZSLNKGXWEB-UHFFFAOYSA-N 1 0 393.912 1.415 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+]C2(CO)CCSCC2)cc1 ZINC000459719937 532026148 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Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000423109597 532071719 /nfs/dbraw/zinc/07/17/19/532071719.db2.gz NWSZYTVUMYKDFV-DOTOQJQBSA-N 1 0 387.933 1.283 20 0 GDADRO C[NH+]1CCC(n2ccc(NC(=O)Cn3cc(Br)ccc3=O)n2)CC1 ZINC000373237935 532071787 /nfs/dbraw/zinc/07/17/87/532071787.db2.gz WFUGTXSVEBWSSL-UHFFFAOYSA-N 1 0 394.273 1.713 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc3[nH]cc(I)c3c2)C1 ZINC000602139262 532070815 /nfs/dbraw/zinc/07/08/15/532070815.db2.gz YIYHYAQIEGDWEP-OAHLLOKOSA-N 1 0 399.232 1.569 20 0 GDADRO O=C(C(=O)N1CCC[C@@H]1c1cccc(Br)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423112232 532072223 /nfs/dbraw/zinc/07/22/23/532072223.db2.gz RUEOLLMRGMYFSN-IJEWVQPXSA-N 1 0 392.297 1.790 20 0 GDADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C(=O)N(C)CC[NH3+] ZINC000423230051 532074669 /nfs/dbraw/zinc/07/46/69/532074669.db2.gz IKQAQJAKWMGXNO-CYBMUJFWSA-N 1 0 384.274 1.538 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423638874 532078013 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390.937 1.492 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000333842908 532252124 /nfs/dbraw/zinc/25/21/24/532252124.db2.gz OPAYTMUEJNNKEX-GLQYFDAESA-N 1 0 395.301 1.772 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000333847480 532252235 /nfs/dbraw/zinc/25/22/35/532252235.db2.gz WMWYKIXYNNMHBM-TVQRCGJNSA-N 1 0 388.237 1.699 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000333842472 532252562 /nfs/dbraw/zinc/25/25/62/532252562.db2.gz OMPWSZXITOKHDO-CQDKDKBSSA-N 1 0 395.301 1.772 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000430597084 532252969 /nfs/dbraw/zinc/25/29/69/532252969.db2.gz YSJCBJATSIPYTH-HNNXBMFYSA-N 1 0 384.318 1.970 20 0 GDADRO C[C@@H]([NH2+]CCc1cnccn1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430702893 532254718 /nfs/dbraw/zinc/25/47/18/532254718.db2.gz DBZFLQABLZIBLZ-SNVBAGLBSA-N 1 0 385.287 1.780 20 0 GDADRO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430753099 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394.516 1.942 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@@H]21 ZINC000359991941 212129908 /nfs/dbraw/zinc/12/99/08/212129908.db2.gz GEPRCEUHXOWLIK-SOUVJXGZSA-N 1 0 394.516 1.942 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCCOC(=O)NC(N)=O)C[C@H]21 ZINC000359997531 212131539 /nfs/dbraw/zinc/13/15/39/212131539.db2.gz UVFIWUDMSXOJIF-BFHYXJOUSA-N 1 0 384.477 1.807 20 0 GDADRO O=C(c1ccc2c[nH+]cn2c1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000077929299 222290668 /nfs/dbraw/zinc/29/06/68/222290668.db2.gz BPQBUQKLOUJGBD-UHFFFAOYSA-N 1 0 384.461 1.871 20 0 GDADRO Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)c(Br)c1 ZINC000228994338 525047843 /nfs/dbraw/zinc/04/78/43/525047843.db2.gz LCXXMAFFIBALFY-MRXNPFEDSA-N 1 0 395.257 1.370 20 0 GDADRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275616073 570697789 /nfs/dbraw/zinc/69/77/89/570697789.db2.gz RHZXGIZEEHUATD-IAGOWNOFSA-N 1 0 375.517 1.520 20 0 GDADRO 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598869247 /nfs/dbraw/zinc/86/92/47/598869247.db2.gz QCYNPIGJLWMLKH-UHFFFAOYSA-N 1 0 396.492 1.939 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738347509 598876525 /nfs/dbraw/zinc/87/65/25/598876525.db2.gz IYPUATXVPWHYJP-AWEZNQCLSA-N 1 0 394.476 1.645 20 0 GDADRO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC000736762981 598878072 /nfs/dbraw/zinc/87/80/72/598878072.db2.gz ZCFJMMNJTZKFAO-QGZVFWFLSA-N 1 0 399.499 1.063 20 0 GDADRO COC[C@@H](CCO)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736978054 598887569 /nfs/dbraw/zinc/88/75/69/598887569.db2.gz NSSXARIRRRSDTL-QGZVFWFLSA-N 1 0 383.452 1.933 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736768698 598911594 /nfs/dbraw/zinc/91/15/94/598911594.db2.gz HWUKRVFESPEEFJ-UHFFFAOYSA-N 1 0 385.516 1.189 20 0 GDADRO COC(=O)CC[N@@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)C[C@@H]1CCCO1 ZINC000736913315 598946979 /nfs/dbraw/zinc/94/69/79/598946979.db2.gz MULVIAIYAIYZMH-HNNXBMFYSA-N 1 0 384.440 1.664 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000737224122 598947361 /nfs/dbraw/zinc/94/73/61/598947361.db2.gz NFTPXSVHELZWLH-UHFFFAOYSA-N 1 0 378.502 1.575 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000737298541 598949086 /nfs/dbraw/zinc/94/90/86/598949086.db2.gz RANXENFVXXRWQR-CQSZACIVSA-N 1 0 378.502 1.718 20 0 GDADRO CCOCC[N@@H+]1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)C[C@H]1CC ZINC000736623446 598966255 /nfs/dbraw/zinc/96/62/55/598966255.db2.gz HMWIJEMSQIOVCG-CQSZACIVSA-N 1 0 382.472 1.747 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@H]1CCCN1Cc1ccccc1)C2 ZINC000738432762 598963282 /nfs/dbraw/zinc/96/32/82/598963282.db2.gz LNAIJCMBPCVLQP-IAGOWNOFSA-N 1 0 393.499 1.359 20 0 GDADRO C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110362 598971154 /nfs/dbraw/zinc/97/11/54/598971154.db2.gz AXHQNTAUWHFFTI-KBXCAEBGSA-N 1 0 399.499 1.870 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738023212 598973517 /nfs/dbraw/zinc/97/35/17/598973517.db2.gz HCSHTXJAIGUXIU-OAHLLOKOSA-N 1 0 396.499 1.325 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000736819193 598973640 /nfs/dbraw/zinc/97/36/40/598973640.db2.gz ADQKFQBOPXEGCQ-SFHVURJKSA-N 1 0 399.499 1.652 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000737033147 598983429 /nfs/dbraw/zinc/98/34/29/598983429.db2.gz RCNBBUPKFGPGCG-CQSZACIVSA-N 1 0 385.428 1.825 20 0 GDADRO CC[C@H]1CN(CCOc2ccc(-c3nn[nH]n3)cc2OC)CC[N@@H+]1CCOC ZINC000736407347 598985651 /nfs/dbraw/zinc/98/56/51/598985651.db2.gz GCGHLKMNZMFHML-INIZCTEOSA-N 1 0 390.488 1.297 20 0 GDADRO CC[N@@H+]1CCCN([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000736569955 598987054 /nfs/dbraw/zinc/98/70/54/598987054.db2.gz LGPBDFAJBMPJCG-GFCCVEGCSA-N 1 0 389.529 1.772 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000737224727 598999451 /nfs/dbraw/zinc/99/94/51/598999451.db2.gz ZVQRIULBWILNST-KBPBESRZSA-N 1 0 378.502 1.716 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000736137426 599011131 /nfs/dbraw/zinc/01/11/31/599011131.db2.gz XIEUWYKXTYFBOT-NXEZZACHSA-N 1 0 380.416 1.038 20 0 GDADRO OC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392724 599011328 /nfs/dbraw/zinc/01/13/28/599011328.db2.gz GXFSTZODYQQGAC-WOJBJXKFSA-N 1 0 378.480 1.839 20 0 GDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)cc2)CC1 ZINC000736569210 599022790 /nfs/dbraw/zinc/02/27/90/599022790.db2.gz PLNGHXMXZSBSRZ-UHFFFAOYSA-N 1 0 392.467 1.652 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738048043 599026054 /nfs/dbraw/zinc/02/60/54/599026054.db2.gz CVCNIBDQKSKKFQ-UHFFFAOYSA-N 1 0 377.452 1.904 20 0 GDADRO O[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1c(F)cccc1Cl ZINC000738382018 599053794 /nfs/dbraw/zinc/05/37/94/599053794.db2.gz OSJVKRMBCYMISU-ZANVPECISA-N 1 0 392.826 1.221 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736267102 599077063 /nfs/dbraw/zinc/07/70/63/599077063.db2.gz LSWPDEKZSJVRKH-JTDSTZFVSA-N 1 0 397.527 1.980 20 0 GDADRO COc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000737090243 599084594 /nfs/dbraw/zinc/08/45/94/599084594.db2.gz KMZSXNBUGKPCQX-QGZVFWFLSA-N 1 0 382.424 1.243 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CC[C@@H](CCO)C1 ZINC000735570553 599139795 /nfs/dbraw/zinc/13/97/95/599139795.db2.gz NQNIHGZUBKLIIB-QWRGUYRKSA-N 1 0 376.486 1.448 20 0 GDADRO C[C@@H](O)C[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736142141 599148373 /nfs/dbraw/zinc/14/83/73/599148373.db2.gz DDUJAGOYBCMJIF-LLVKDONJSA-N 1 0 378.502 1.838 20 0 GDADRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000736241495 599149736 /nfs/dbraw/zinc/14/97/36/599149736.db2.gz OZPMGSPVUOGOIH-UHFFFAOYSA-N 1 0 397.483 1.528 20 0 GDADRO C[NH+]1CCC(CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000736848901 599219169 /nfs/dbraw/zinc/21/91/69/599219169.db2.gz OVBHEMCSJZEXGI-UHFFFAOYSA-N 1 0 381.387 1.931 20 0 GDADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736291125 599226239 /nfs/dbraw/zinc/22/62/39/599226239.db2.gz DBWDQNOGAMXAMJ-AYOQOUSVSA-N 1 0 395.511 1.921 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000737026558 599251521 /nfs/dbraw/zinc/25/15/21/599251521.db2.gz YSQMIIVBERCALY-OAHLLOKOSA-N 1 0 388.472 1.587 20 0 GDADRO O=C(CCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1ccccc1-c1nn[nH]n1 ZINC000822955175 607299404 /nfs/dbraw/zinc/29/94/04/607299404.db2.gz KVESVWMDDGYSEQ-SJORKVTESA-N 1 0 397.483 1.719 20 0 GDADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821622242 607300738 /nfs/dbraw/zinc/30/07/38/607300738.db2.gz XGDWDMORSGBJKE-CQSZACIVSA-N 1 0 385.472 1.386 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000736635367 599283472 /nfs/dbraw/zinc/28/34/72/599283472.db2.gz MRZMLAGFTNSOOO-UHFFFAOYSA-N 1 0 389.460 1.050 20 0 GDADRO NC(=O)[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850673 607326121 /nfs/dbraw/zinc/32/61/21/607326121.db2.gz MTIYFHCTFXEPQO-HUUCEWRRSA-N 1 0 388.497 1.428 20 0 GDADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820055930 607333945 /nfs/dbraw/zinc/33/39/45/607333945.db2.gz LWHSUVWVIWQCOD-GFCCVEGCSA-N 1 0 377.424 1.037 20 0 GDADRO CC[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736403534 598233081 /nfs/dbraw/zinc/23/30/81/598233081.db2.gz WADJGVMXJZCYNK-BFUOFWGJSA-N 1 0 383.456 1.713 20 0 GDADRO C[N@H+](CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC000736801107 598241370 /nfs/dbraw/zinc/24/13/70/598241370.db2.gz RNLYJMQFIQBGSK-GOSISDBHSA-N 1 0 383.500 1.826 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000736988147 598254688 /nfs/dbraw/zinc/25/46/88/598254688.db2.gz PYZIRNOWCOWAHA-GFCCVEGCSA-N 1 0 375.477 1.602 20 0 GDADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738104472 598261088 /nfs/dbraw/zinc/26/10/88/598261088.db2.gz ZKGLCNILQSGJBG-UHFFFAOYSA-N 1 0 392.463 1.753 20 0 GDADRO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000738075360 598269694 /nfs/dbraw/zinc/26/96/94/598269694.db2.gz QDKJANMRYFBFAE-INIZCTEOSA-N 1 0 399.503 1.334 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C[C@@H](C)O1 ZINC000736284610 598317354 /nfs/dbraw/zinc/31/73/54/598317354.db2.gz BTVGWXBISVYIGK-CHWSQXEVSA-N 1 0 391.451 1.304 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000737023583 598332023 /nfs/dbraw/zinc/33/20/23/598332023.db2.gz NRJBKKHYZXHVAI-OAHLLOKOSA-N 1 0 386.456 1.341 20 0 GDADRO O[C@@H](C[NH+]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)CC1)c1ccccc1 ZINC000738381363 598334998 /nfs/dbraw/zinc/33/49/98/598334998.db2.gz LAKGZJLTGWJMRJ-IBGZPJMESA-N 1 0 391.479 1.606 20 0 GDADRO CCOCC[N@@H+]1CCN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000736617762 598345274 /nfs/dbraw/zinc/34/52/74/598345274.db2.gz HDKBFWMBSJNACE-HNNXBMFYSA-N 1 0 387.488 1.238 20 0 GDADRO O=C(COc1cccnc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737930892 598376541 /nfs/dbraw/zinc/37/65/41/598376541.db2.gz SOMOKSMQIJYERS-UHFFFAOYSA-N 1 0 393.451 1.375 20 0 GDADRO C[C@@H](O)C[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736146576 598377221 /nfs/dbraw/zinc/37/72/21/598377221.db2.gz IGSSLPCZPQGKIL-PBHICJAKSA-N 1 0 375.473 1.622 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736001516 598390415 /nfs/dbraw/zinc/39/04/15/598390415.db2.gz MMTPAYIYJKIOFB-ZDUSSCGKSA-N 1 0 389.508 1.181 20 0 GDADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736759190 598450055 /nfs/dbraw/zinc/45/00/55/598450055.db2.gz PLFMBNGXOVREEE-UHFFFAOYSA-N 1 0 380.412 1.404 20 0 GDADRO COC1CC[NH+](C(C)(C)CNC(=O)COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736963778 598466173 /nfs/dbraw/zinc/46/61/73/598466173.db2.gz WMCNCTCDVVXSME-UHFFFAOYSA-N 1 0 388.472 1.251 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000736136838 598466793 /nfs/dbraw/zinc/46/67/93/598466793.db2.gz UDSALQASHFRIIF-CYBMUJFWSA-N 1 0 386.481 1.968 20 0 GDADRO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nccnc1-c1nn[nH]n1 ZINC000736792566 598487274 /nfs/dbraw/zinc/48/72/74/598487274.db2.gz SDZCAEULNYNAMG-QGZVFWFLSA-N 1 0 394.483 1.539 20 0 GDADRO C[NH+]1CCN(C[C@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)c2ccccc2)CC1 ZINC000736865179 598499669 /nfs/dbraw/zinc/49/96/69/598499669.db2.gz WNTYKCQTDAYCEP-IBGZPJMESA-N 1 0 391.479 1.585 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@@H](c1ccccc1)N1CCCC1)C2 ZINC000738426635 598517841 /nfs/dbraw/zinc/51/78/41/598517841.db2.gz SUJAQFVBHOXYCD-QAPCUYQASA-N 1 0 393.499 1.532 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H](CN1CCCC1)c1ccccc1)C2 ZINC000738425147 598520463 /nfs/dbraw/zinc/52/04/63/598520463.db2.gz KSDIMWIGFKJMBF-YJBOKZPZSA-N 1 0 393.499 1.532 20 0 GDADRO CCN(CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1C ZINC000736536285 598523354 /nfs/dbraw/zinc/52/33/54/598523354.db2.gz HLTDADWMYNGHEP-OAHLLOKOSA-N 1 0 381.488 1.529 20 0 GDADRO Brc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735369859 598525571 /nfs/dbraw/zinc/52/55/71/598525571.db2.gz YQNCYFMUKGPVLN-NSHDSACASA-N 1 0 389.261 1.657 20 0 GDADRO C[C@@H]1Cc2ccccc2N1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736295898 598526420 /nfs/dbraw/zinc/52/64/20/598526420.db2.gz BGIBBJNWXJAOLG-ZIAGYGMSSA-N 1 0 379.472 1.146 20 0 GDADRO c1csc(-c2nc(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)co2)c1 ZINC000738450212 598527343 /nfs/dbraw/zinc/52/73/43/598527343.db2.gz XTWYGCCMAONICO-JTQLQIEISA-N 1 0 383.441 1.611 20 0 GDADRO Cc1ccc([C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N(C)C)cc1 ZINC000737321139 598527906 /nfs/dbraw/zinc/52/79/06/598527906.db2.gz ZASPZGMYKIISIW-RHSMWYFYSA-N 1 0 381.488 1.306 20 0 GDADRO CC[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nnc2n1CCCCC2 ZINC000736369160 598528986 /nfs/dbraw/zinc/52/89/86/598528986.db2.gz GJYNQXKAPRQFKR-JSGCOSHPSA-N 1 0 397.491 1.164 20 0 GDADRO Cc1[nH]c2ccccc2c1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737199501 598529971 /nfs/dbraw/zinc/52/99/71/598529971.db2.gz NMJRPNDHIANOAD-CYBMUJFWSA-N 1 0 377.456 1.727 20 0 GDADRO FC(F)COc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000737640087 598530842 /nfs/dbraw/zinc/53/08/42/598530842.db2.gz ZQPADCOTQUGBGD-LBPRGKRZSA-N 1 0 390.398 1.539 20 0 GDADRO Fc1ccc(OCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1F ZINC000737656408 598532281 /nfs/dbraw/zinc/53/22/81/598532281.db2.gz MGLSFCHAEODACU-SNVBAGLBSA-N 1 0 376.371 1.052 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000735882296 598535767 /nfs/dbraw/zinc/53/57/67/598535767.db2.gz PAIQCZSARGJXEY-UHFFFAOYSA-N 1 0 391.863 1.401 20 0 GDADRO O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737874336 598553047 /nfs/dbraw/zinc/55/30/47/598553047.db2.gz AWEVEHFFWIIOKW-LLVKDONJSA-N 1 0 392.847 1.544 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(Cl)c(-c3nn[nH]n3)n2)CC1 ZINC000736747021 598580027 /nfs/dbraw/zinc/58/00/27/598580027.db2.gz KYAJZDVFPNCHIB-UHFFFAOYSA-N 1 0 378.868 1.270 20 0 GDADRO COc1cccc2c1OC[C@H]([NH2+]Cc1cnc3c(-c4nn[nH]n4)cnn3c1)C2 ZINC000737142168 598617676 /nfs/dbraw/zinc/61/76/76/598617676.db2.gz IFWCHFZRILKEIP-CYBMUJFWSA-N 1 0 378.396 1.011 20 0 GDADRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000736757567 598621370 /nfs/dbraw/zinc/62/13/70/598621370.db2.gz URKUZKGRGMLOBQ-HNNXBMFYSA-N 1 0 395.471 1.017 20 0 GDADRO O=C(CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737842993 598622418 /nfs/dbraw/zinc/62/24/18/598622418.db2.gz GSKOCIDKNXSHJI-GOSISDBHSA-N 1 0 399.499 1.382 20 0 GDADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC000735761166 598635111 /nfs/dbraw/zinc/63/51/11/598635111.db2.gz LNTYDISFBQOAIE-GFCCVEGCSA-N 1 0 377.424 1.037 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736799220 598670422 /nfs/dbraw/zinc/67/04/22/598670422.db2.gz PGNYTRGXSXSMNK-UHFFFAOYSA-N 1 0 377.836 1.013 20 0 GDADRO C[C@](CO)([NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000736026954 598700998 /nfs/dbraw/zinc/70/09/98/598700998.db2.gz SOPXKOAIPABRRF-GOSISDBHSA-N 1 0 386.843 1.956 20 0 GDADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736239190 598702097 /nfs/dbraw/zinc/70/20/97/598702097.db2.gz WVYDPTDDGKNCMU-GHMZBOCLSA-N 1 0 391.863 1.435 20 0 GDADRO Cn1cnc2c1CC[N@H+](CCC(=O)Nc1ccc(-c3nn[nH]n3)c(Cl)c1)C2 ZINC000737618734 598709909 /nfs/dbraw/zinc/70/99/09/598709909.db2.gz LHMARUUWEAMUKG-UHFFFAOYSA-N 1 0 386.847 1.641 20 0 GDADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738343110 598711911 /nfs/dbraw/zinc/71/19/11/598711911.db2.gz PLWCENRSKSLEPM-UHFFFAOYSA-N 1 0 396.492 1.940 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000737288560 598734122 /nfs/dbraw/zinc/73/41/22/598734122.db2.gz LMKFQIJTLWHJTE-UHFFFAOYSA-N 1 0 399.499 1.886 20 0 GDADRO CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736852899 598742823 /nfs/dbraw/zinc/74/28/23/598742823.db2.gz SDYBEOZEEIRHCU-DVBCCOPCSA-N 1 0 395.511 1.507 20 0 GDADRO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736722497 598763332 /nfs/dbraw/zinc/76/33/32/598763332.db2.gz PINGPBZBLGBULA-CVEARBPZSA-N 1 0 398.471 1.097 20 0 GDADRO Cc1nc(C[C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)no1 ZINC000737471916 598764556 /nfs/dbraw/zinc/76/45/56/598764556.db2.gz PKLYDCXROWXEHP-CQSZACIVSA-N 1 0 396.455 1.841 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736859202 598783813 /nfs/dbraw/zinc/78/38/13/598783813.db2.gz XMBWJVKXGMLTDN-OAHLLOKOSA-N 1 0 385.472 1.514 20 0 GDADRO Cc1nc(SCC(=O)N[C@@H](C)CC[NH+](C)C)c(-c2nn[nH]n2)c(C)c1C ZINC000737482321 598813647 /nfs/dbraw/zinc/81/36/47/598813647.db2.gz HJWUTKSIZJAYHT-JTQLQIEISA-N 1 0 377.518 1.735 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736409506 599293164 /nfs/dbraw/zinc/29/31/64/599293164.db2.gz WBSGFQROJMCMOU-HOTGVXAUSA-N 1 0 376.486 1.255 20 0 GDADRO CC[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000736382128 599320496 /nfs/dbraw/zinc/32/04/96/599320496.db2.gz KXDLQQUIAHVMNV-HNNXBMFYSA-N 1 0 381.484 1.925 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000737263092 599320731 /nfs/dbraw/zinc/32/07/31/599320731.db2.gz KNFLDRFIABVKLS-IAGOWNOFSA-N 1 0 397.458 1.898 20 0 GDADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000821253944 599335595 /nfs/dbraw/zinc/33/55/95/599335595.db2.gz JPAAXMQVULWDFI-UHFFFAOYSA-N 1 0 384.893 1.625 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000820753369 599346992 /nfs/dbraw/zinc/34/69/92/599346992.db2.gz YJXIHOBZVYCXPH-ZWNOBZJWSA-N 1 0 384.893 1.481 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000820752349 599347529 /nfs/dbraw/zinc/34/75/29/599347529.db2.gz MAZBUYIFOIZPMV-ZYHUDNBSSA-N 1 0 384.893 1.481 20 0 GDADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC(=O)NCC(F)(F)F ZINC000820410774 599388242 /nfs/dbraw/zinc/38/82/42/599388242.db2.gz GPTWPSXGTZODAQ-RKDXNWHRSA-N 1 0 385.350 1.294 20 0 GDADRO COc1ccc(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1-c1nn[nH]n1 ZINC000821818452 599423246 /nfs/dbraw/zinc/42/32/46/599423246.db2.gz RCIPURQYGKQAOU-UHFFFAOYSA-N 1 0 387.465 1.710 20 0 GDADRO CCc1nc(CN2CCC[C@H]([NH2+]Cc3ccc(OC)c(-c4nn[nH]n4)c3)C2)no1 ZINC000821509907 599431124 /nfs/dbraw/zinc/43/11/24/599431124.db2.gz PECBACDJWYITJU-AWEZNQCLSA-N 1 0 398.471 1.575 20 0 GDADRO C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1ccc(Cl)cc1 ZINC000820276214 599462099 /nfs/dbraw/zinc/46/20/99/599462099.db2.gz URVMNXSXIGRXSH-VXGBXAGGSA-N 1 0 388.863 1.815 20 0 GDADRO O[C@H](CNc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)C[NH+]1CCCCC1 ZINC000823690619 599475634 /nfs/dbraw/zinc/47/56/34/599475634.db2.gz PUUPYUUPDXZHNS-CYBMUJFWSA-N 1 0 387.875 1.749 20 0 GDADRO CS(=O)(=O)Cc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000737167975 599489329 /nfs/dbraw/zinc/48/93/29/599489329.db2.gz XIWKNYXCFNUJJZ-UHFFFAOYSA-N 1 0 397.464 1.349 20 0 GDADRO O=C(C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Nc1cccc2cccnc21 ZINC000737895703 599489409 /nfs/dbraw/zinc/48/94/09/599489409.db2.gz QNKZQWOKZUMBEW-UHFFFAOYSA-N 1 0 399.418 1.791 20 0 GDADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820027027 599489928 /nfs/dbraw/zinc/48/99/28/599489928.db2.gz POYNELJQBHOOGE-MRXNPFEDSA-N 1 0 376.436 1.415 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)C[C@H]1C ZINC000820480182 599531028 /nfs/dbraw/zinc/53/10/28/599531028.db2.gz GGTVWPIQEJZLGE-GHMZBOCLSA-N 1 0 389.410 1.584 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N[C@@H](C)C[NH+]3CCN(C)CC3)c2c1 ZINC000822195371 599542227 /nfs/dbraw/zinc/54/22/27/599542227.db2.gz PYVZCJAXNAPUGM-HNNXBMFYSA-N 1 0 380.500 1.501 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C[C@H]1C ZINC000820481198 599553168 /nfs/dbraw/zinc/55/31/68/599553168.db2.gz UAPLDUDZZUPEFK-CHWSQXEVSA-N 1 0 390.492 1.342 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736990292 599567978 /nfs/dbraw/zinc/56/79/78/599567978.db2.gz MNUKYITWJRSUAT-UHFFFAOYSA-N 1 0 395.467 1.918 20 0 GDADRO C[C@@H](O)C[N@H+](C)C1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000820479890 599572830 /nfs/dbraw/zinc/57/28/30/599572830.db2.gz DELXWCMETOJHAR-CYBMUJFWSA-N 1 0 398.471 1.194 20 0 GDADRO c1cc(-c2nnc(C[N@@H+]3CCC[C@H](C4OCCO4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823737696 599573572 /nfs/dbraw/zinc/57/35/72/599573572.db2.gz IPCJGNQTUBUSEG-AWEZNQCLSA-N 1 0 383.412 1.502 20 0 GDADRO CC[C@@H]1CN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC[N@@H+]1CCOC ZINC000820994358 599573988 /nfs/dbraw/zinc/57/39/88/599573988.db2.gz HCMDIJJBVSFHRO-MRXNPFEDSA-N 1 0 398.471 1.459 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000819876904 599586232 /nfs/dbraw/zinc/58/62/32/599586232.db2.gz JYIRTVUNAVULBQ-JKSUJKDBSA-N 1 0 399.499 1.380 20 0 GDADRO COC(=O)C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC000821662518 599592790 /nfs/dbraw/zinc/59/27/90/599592790.db2.gz GITBOVFYHKTOBY-UHFFFAOYSA-N 1 0 375.429 1.290 20 0 GDADRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737441990 599599865 /nfs/dbraw/zinc/59/98/65/599599865.db2.gz DWGSEQMGLCFQRQ-UHFFFAOYSA-N 1 0 380.412 1.326 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000822319836 599601468 /nfs/dbraw/zinc/60/14/68/599601468.db2.gz ZMNZHIJFIGMZNO-XCLFUZPHSA-N 1 0 399.499 1.740 20 0 GDADRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000822312661 599603068 /nfs/dbraw/zinc/60/30/68/599603068.db2.gz HDDQDSODUDLZLP-UMVBOHGHSA-N 1 0 399.499 1.596 20 0 GDADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823359111 599613621 /nfs/dbraw/zinc/61/36/21/599613621.db2.gz IGAGVIVXUMBPCL-CQSZACIVSA-N 1 0 383.456 1.140 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821625910 599641823 /nfs/dbraw/zinc/64/18/23/599641823.db2.gz YJYGLNGSHKSTHD-WMZOPIPTSA-N 1 0 383.500 1.778 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCNc2ncccc2-c2nn[nH]n2)C1 ZINC000821088652 599672687 /nfs/dbraw/zinc/67/26/87/599672687.db2.gz RBYGEAZZHAXZHD-CQSZACIVSA-N 1 0 387.492 1.047 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000821267339 599675878 /nfs/dbraw/zinc/67/58/78/599675878.db2.gz MNXNUFVDFREEOK-OAHLLOKOSA-N 1 0 384.488 1.183 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)CC[N@@H+]1C ZINC000820657463 599676045 /nfs/dbraw/zinc/67/60/45/599676045.db2.gz LIYSEMABIQFLAN-ZBFHGGJFSA-N 1 0 399.499 1.902 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000821612228 599696595 /nfs/dbraw/zinc/69/65/95/599696595.db2.gz NILMYRLKYKSBBZ-NRFANRHFSA-N 1 0 392.463 1.462 20 0 GDADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000823498658 607476048 /nfs/dbraw/zinc/47/60/48/607476048.db2.gz XYFFXYSJXIJGRM-UHFFFAOYSA-N 1 0 381.415 1.795 20 0 GDADRO Cc1oc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1C ZINC000826341950 607477743 /nfs/dbraw/zinc/47/77/43/607477743.db2.gz UIPXQSFUEBKOTO-GOEBONIOSA-N 1 0 399.499 1.964 20 0 GDADRO O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826410745 607478077 /nfs/dbraw/zinc/47/80/77/607478077.db2.gz XABYTXROAITAAG-MAUKXSAKSA-N 1 0 381.484 1.754 20 0 GDADRO CCC(=O)N1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820833557 607498858 /nfs/dbraw/zinc/49/88/58/607498858.db2.gz ZAQWDOZSLGOPJG-QGZVFWFLSA-N 1 0 399.499 1.015 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)cc1-c1nn[nH]n1 ZINC000826194142 607508586 /nfs/dbraw/zinc/50/85/86/607508586.db2.gz CCNZQOBJYGLWSD-GFCCVEGCSA-N 1 0 382.428 1.077 20 0 GDADRO CC(C)C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824255406 607518565 /nfs/dbraw/zinc/51/85/65/607518565.db2.gz IEJPGHHRSAUFAW-UHFFFAOYSA-N 1 0 378.502 1.360 20 0 GDADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738622606 601943455 /nfs/dbraw/zinc/94/34/55/601943455.db2.gz FGWUJYXLRNVJNQ-AEFFLSMTSA-N 1 0 388.512 1.745 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c1-c1nn[nH]n1 ZINC000826301465 607546908 /nfs/dbraw/zinc/54/69/08/607546908.db2.gz FVRWCUVAOPTIKG-KBPBESRZSA-N 1 0 376.486 1.422 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000825412136 607571207 /nfs/dbraw/zinc/57/12/07/607571207.db2.gz LTRINXGPFIXCKU-UHFFFAOYSA-N 1 0 392.407 1.506 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738622603 602531039 /nfs/dbraw/zinc/53/10/39/602531039.db2.gz FFDLEIRSTSLMQS-QRQLOZEOSA-N 1 0 388.512 1.697 20 0 GDADRO COc1ccc(CNC(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000826198126 607574880 /nfs/dbraw/zinc/57/48/80/607574880.db2.gz NBFIELDYNZOISM-DZGCQCFKSA-N 1 0 385.472 1.644 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000824946486 607588627 /nfs/dbraw/zinc/58/86/27/607588627.db2.gz JPXCFHNZSQFLFS-NEPJUHHUSA-N 1 0 398.920 1.919 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](C)C1 ZINC000824946490 607588977 /nfs/dbraw/zinc/58/89/77/607588977.db2.gz JPXCFHNZSQFLFS-RYUDHWBXSA-N 1 0 398.920 1.919 20 0 GDADRO Cc1cccc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826302332 607596508 /nfs/dbraw/zinc/59/65/08/607596508.db2.gz GPIZMAJEADMMHV-ZDUSSCGKSA-N 1 0 392.529 1.964 20 0 GDADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)CC1 ZINC000825328445 607597447 /nfs/dbraw/zinc/59/74/47/607597447.db2.gz SICPRPBOKKRMRO-UHFFFAOYSA-N 1 0 378.502 1.670 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)[NH+]1CCC(C)CC1 ZINC000824957428 607600512 /nfs/dbraw/zinc/60/05/12/607600512.db2.gz XPPGZZMZHSPXNP-LBPRGKRZSA-N 1 0 398.920 1.919 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000825327425 607601625 /nfs/dbraw/zinc/60/16/25/607601625.db2.gz KRBIIRRXIKHTSA-UHFFFAOYSA-N 1 0 398.920 1.920 20 0 GDADRO COc1ccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826199484 607622191 /nfs/dbraw/zinc/62/21/91/607622191.db2.gz ZZBKZFZSSRWWBV-KRWDZBQOSA-N 1 0 395.467 1.977 20 0 GDADRO CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]CCC2CCN(C(=O)[O-])CC2)CC1 ZINC000823772260 603496286 /nfs/dbraw/zinc/49/62/86/603496286.db2.gz LTEBYUGQWRAISZ-UHFFFAOYSA-N 1 0 382.549 1.983 20 0 GDADRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826398718 607638945 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20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000826255275 607907199 /nfs/dbraw/zinc/90/71/99/607907199.db2.gz RCFMMTHWGKWKNW-MRXNPFEDSA-N 1 0 390.513 1.528 20 0 GDADRO CNC(=O)c1ccc(C[N@H+](C)Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)cc1 ZINC000826068653 607920683 /nfs/dbraw/zinc/92/06/83/607920683.db2.gz UZNLYVRWFPALDA-UHFFFAOYSA-N 1 0 394.435 1.645 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825220379 608002028 /nfs/dbraw/zinc/00/20/28/608002028.db2.gz ROXXQKSJGMBGGV-HUUCEWRRSA-N 1 0 394.476 1.394 20 0 GDADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826134384 608003337 /nfs/dbraw/zinc/00/33/37/608003337.db2.gz WXLOFIACHIJVBX-DNVCBOLYSA-N 1 0 386.456 1.907 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCSC(C)(C)C)c1-c1nn[nH]n1 ZINC000826077133 608021102 /nfs/dbraw/zinc/02/11/02/608021102.db2.gz AYMPCMUJWOEIGF-UHFFFAOYSA-N 1 0 380.522 1.992 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826077407 608021260 /nfs/dbraw/zinc/02/12/60/608021260.db2.gz HGNVNIBOENUZBU-NEPJUHHUSA-N 1 0 376.465 1.276 20 0 GDADRO CCCCn1ncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)c1C ZINC000825301542 608022593 /nfs/dbraw/zinc/02/25/93/608022593.db2.gz NEGCISFJHWSRME-UHFFFAOYSA-N 1 0 386.464 1.299 20 0 GDADRO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824936059 608036894 /nfs/dbraw/zinc/03/68/94/608036894.db2.gz DPZFRSXIHAZLIV-OCCSQVGLSA-N 1 0 389.508 1.074 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccn(-c2cccc(F)c2)n1 ZINC000825933951 608037216 /nfs/dbraw/zinc/03/72/16/608037216.db2.gz JQRVWUVSXMNXMM-UHFFFAOYSA-N 1 0 396.434 1.561 20 0 GDADRO COc1ccc2c(c1)CC[N@@H+](C[C@@H](O)COc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826212841 608037700 /nfs/dbraw/zinc/03/77/00/608037700.db2.gz CPMFYGLEDBJGPY-GOSISDBHSA-N 1 0 395.463 1.716 20 0 GDADRO Fc1cncc(N2CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826378772 608041541 /nfs/dbraw/zinc/04/15/41/608041541.db2.gz ZXFIGAMCOZVZDC-UHFFFAOYSA-N 1 0 383.431 1.992 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(-c2nn[nH]n2)cc1Br ZINC000824412658 608049950 /nfs/dbraw/zinc/04/99/50/608049950.db2.gz DAJDHFUZLFETIO-LLVKDONJSA-N 1 0 380.294 1.677 20 0 GDADRO CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000825451133 608061026 /nfs/dbraw/zinc/06/10/26/608061026.db2.gz GFZWQWUVIUKYLB-QGZVFWFLSA-N 1 0 385.472 1.434 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824412625 608061822 /nfs/dbraw/zinc/06/18/22/608061822.db2.gz CEDLAKVNDGYHNV-MAUKXSAKSA-N 1 0 399.499 1.824 20 0 GDADRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000826363874 608079360 /nfs/dbraw/zinc/07/93/60/608079360.db2.gz DVHSFCMVBODHCB-CQSZACIVSA-N 1 0 377.412 1.640 20 0 GDADRO C[NH+](C)CCOc1cc(CNC(=O)Nc2cccc(-c3nn[nH]n3)c2)ccn1 ZINC000825870449 608100307 /nfs/dbraw/zinc/10/03/07/608100307.db2.gz MXLOWSAWDQAXRN-UHFFFAOYSA-N 1 0 382.428 1.524 20 0 GDADRO O[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)c(F)c1 ZINC000826502969 608101528 /nfs/dbraw/zinc/10/15/28/608101528.db2.gz NMWLBQIGBCHXRG-OTYXRUKQSA-N 1 0 392.826 1.221 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826436102 608107353 /nfs/dbraw/zinc/10/73/53/608107353.db2.gz ICDVCPQDKHARLS-GFCCVEGCSA-N 1 0 380.399 1.112 20 0 GDADRO COc1ccc(C[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cc1-c1nn[nH]n1 ZINC000826202170 608113100 /nfs/dbraw/zinc/11/31/00/608113100.db2.gz QJQARHDNHBDBDS-ZDUSSCGKSA-N 1 0 391.435 1.764 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000826277641 608119111 /nfs/dbraw/zinc/11/91/11/608119111.db2.gz BHTCBGZBNQAYJN-QAPCUYQASA-N 1 0 398.515 1.665 20 0 GDADRO C[C@H]1CN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824991526 608150965 /nfs/dbraw/zinc/15/09/65/608150965.db2.gz BVUFMDMIKYXMDX-KXBFYZLASA-N 1 0 392.511 1.877 20 0 GDADRO C[C@H]1CN(c2c(Cl)cccc2-c2nn[nH]n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824995342 608151110 /nfs/dbraw/zinc/15/11/10/608151110.db2.gz ZFGVHSOEUHJFGY-BBRMVZONSA-N 1 0 375.908 1.982 20 0 GDADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CN1 ZINC000826479123 608171555 /nfs/dbraw/zinc/17/15/55/608171555.db2.gz QYTVBHKWFBNQHN-KBPBESRZSA-N 1 0 392.410 1.959 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1snc(Cl)c1-c1nn[nH]n1 ZINC000825839490 608182547 /nfs/dbraw/zinc/18/25/47/608182547.db2.gz HFVPJWDJGCVKLB-SECBINFHSA-N 1 0 384.897 1.331 20 0 GDADRO O=C([C@H](O)c1ccccc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737782965 608184603 /nfs/dbraw/zinc/18/46/03/608184603.db2.gz QVLGCCFJBGYXFK-LJQANCHMSA-N 1 0 392.463 1.635 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ncccc2C(F)(F)F)c1-c1nn[nH]n1 ZINC000826082717 608197776 /nfs/dbraw/zinc/19/77/76/608197776.db2.gz ABQUWERNPFPFBV-UHFFFAOYSA-N 1 0 395.349 1.408 20 0 GDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824860889 608202527 /nfs/dbraw/zinc/20/25/27/608202527.db2.gz YTBDOKDTEFFNJY-ZIAGYGMSSA-N 1 0 385.472 1.527 20 0 GDADRO C[N@H+](CC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCSC1 ZINC000825892055 608209801 /nfs/dbraw/zinc/20/98/01/608209801.db2.gz DIPQVUYZCSSFMI-HZPDHXFCSA-N 1 0 388.497 1.204 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000826174288 608214472 /nfs/dbraw/zinc/21/44/72/608214472.db2.gz QNYXBFJCPMREGS-CYBMUJFWSA-N 1 0 388.472 1.443 20 0 GDADRO C[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824521607 608218333 /nfs/dbraw/zinc/21/83/33/608218333.db2.gz LSQRMWBWIILICI-CYBMUJFWSA-N 1 0 381.440 1.693 20 0 GDADRO Cc1nccn1CC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826331361 608254048 /nfs/dbraw/zinc/25/40/48/608254048.db2.gz FBJGYKUWAIEMKK-UHFFFAOYSA-N 1 0 380.456 1.722 20 0 GDADRO O=C(C[NH2+][C@]1(CO)CCc2ccccc21)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826412178 608254584 /nfs/dbraw/zinc/25/45/84/608254584.db2.gz FEOLZGIFLLRYNB-IBGZPJMESA-N 1 0 398.854 1.882 20 0 GDADRO C[C@@H](CCO)[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000824406321 608267632 /nfs/dbraw/zinc/26/76/32/608267632.db2.gz HKKBZCMTCDRHKU-INIZCTEOSA-N 1 0 394.479 1.756 20 0 GDADRO CCC[C@H]1CN(c2c3ccccc3nnc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825261360 608303668 /nfs/dbraw/zinc/30/36/68/608303668.db2.gz XRJMJPLABRDQHR-AWEZNQCLSA-N 1 0 382.472 1.747 20 0 GDADRO COCCOC[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000826160870 608314513 /nfs/dbraw/zinc/31/45/13/608314513.db2.gz KJKDIVZOUNNCOU-MRXNPFEDSA-N 1 0 397.483 1.846 20 0 GDADRO O=C(CC[NH+]1CCN(Cc2cccnc2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407506 608319465 /nfs/dbraw/zinc/31/94/65/608319465.db2.gz PEEACHYITZHYGW-UHFFFAOYSA-N 1 0 392.467 1.408 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1 ZINC000825451921 608334455 /nfs/dbraw/zinc/33/44/55/608334455.db2.gz LXTBFSDEPBYQHW-BLLLJJGKSA-N 1 0 396.492 1.498 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C[N@@H+]1C1CC1 ZINC000824892876 608337192 /nfs/dbraw/zinc/33/71/92/608337192.db2.gz NODUTZGUUCLHMB-ZWNOBZJWSA-N 1 0 380.449 1.050 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825855516 608337803 /nfs/dbraw/zinc/33/78/03/608337803.db2.gz GTVWNLBVQQICTO-KGLIPLIRSA-N 1 0 382.465 1.298 20 0 GDADRO CCC[C@@H]1CN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000825255569 608378272 /nfs/dbraw/zinc/37/82/72/608378272.db2.gz XMOSMMVTOHYYBZ-QGZVFWFLSA-N 1 0 387.488 1.238 20 0 GDADRO C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C1 ZINC000824844258 608378495 /nfs/dbraw/zinc/37/84/95/608378495.db2.gz UGCWPJGEWGPSBP-GOSISDBHSA-N 1 0 390.513 1.982 20 0 GDADRO Cn1cnc2cc(C[NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)ccc21 ZINC000826365331 608426579 /nfs/dbraw/zinc/42/65/79/608426579.db2.gz JWYXJFUPEOWGOE-UHFFFAOYSA-N 1 0 389.467 1.907 20 0 GDADRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccnc(-c3nn[nH]n3)c2)cc1 ZINC000826283977 608429909 /nfs/dbraw/zinc/42/99/09/608429909.db2.gz GRQZKGPWMNJQHM-LJQANCHMSA-N 1 0 379.468 1.733 20 0 GDADRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826189616 608431732 /nfs/dbraw/zinc/43/17/32/608431732.db2.gz ZUXNDNFAPDPQEW-GOSISDBHSA-N 1 0 396.451 1.205 20 0 GDADRO CC(C)([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1CCCCC1 ZINC000824168266 608458132 /nfs/dbraw/zinc/45/81/32/608458132.db2.gz YWRUFSOTJCPLAH-KRWDZBQOSA-N 1 0 386.500 1.965 20 0 GDADRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000824094586 608458228 /nfs/dbraw/zinc/45/82/28/608458228.db2.gz ZBQSFZZVZQBMRU-UHFFFAOYSA-N 1 0 387.488 1.013 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562524 608461996 /nfs/dbraw/zinc/46/19/96/608461996.db2.gz GUUIBVGLMLCQQK-ZDUSSCGKSA-N 1 0 393.451 1.858 20 0 GDADRO C[C@@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000824626061 608478580 /nfs/dbraw/zinc/47/85/80/608478580.db2.gz LRHLJXHELFZREQ-GFCCVEGCSA-N 1 0 387.469 1.363 20 0 GDADRO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823967817 608480120 /nfs/dbraw/zinc/48/01/20/608480120.db2.gz POCNIJOAAFENRC-LIRRHRJNSA-N 1 0 392.463 1.834 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(-c2nn[nH]n2)c1 ZINC000824563441 608491906 /nfs/dbraw/zinc/49/19/06/608491906.db2.gz OIFGLGACPOXBHU-GFCCVEGCSA-N 1 0 380.408 1.927 20 0 GDADRO COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826209946 608493848 /nfs/dbraw/zinc/49/38/48/608493848.db2.gz XLAATQCDJLZCHG-LBPRGKRZSA-N 1 0 395.423 1.874 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000825663492 608500188 /nfs/dbraw/zinc/50/01/88/608500188.db2.gz QAZKRIQTKQESHB-QGZVFWFLSA-N 1 0 390.513 1.648 20 0 GDADRO c1ccc2c(c1)OCC[C@@H]2C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826524166 608509907 /nfs/dbraw/zinc/50/99/07/608509907.db2.gz LJNZEADKQFGTOB-OAHLLOKOSA-N 1 0 377.452 1.950 20 0 GDADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@@H]1CCOC1 ZINC000530441233 649976274 /nfs/dbraw/zinc/97/62/74/649976274.db2.gz CIAXYXZCTDBYEL-RHSMWYFYSA-N 1 0 385.302 1.773 20 0 GDADRO O=C(C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826412675 608526743 /nfs/dbraw/zinc/52/67/43/608526743.db2.gz YHNMIRYGRJYJGE-ICSRJNTNSA-N 1 0 392.463 1.850 20 0 GDADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000824569456 608559652 /nfs/dbraw/zinc/55/96/52/608559652.db2.gz IDTMGUWYTJARQS-ACJLOTCBSA-N 1 0 376.424 1.832 20 0 GDADRO C[C@@H]1CCOCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824966295 608563666 /nfs/dbraw/zinc/56/36/66/608563666.db2.gz AGTGCLFWHCRDRJ-LLVKDONJSA-N 1 0 376.486 1.856 20 0 GDADRO CCOCC[N@@H+]1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@@H]1CC ZINC000825599545 608687000 /nfs/dbraw/zinc/68/70/00/608687000.db2.gz NFJIGFTWIKKSJZ-INIZCTEOSA-N 1 0 384.488 1.447 20 0 GDADRO OCCC[N@H+](CCO)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826509896 608695964 /nfs/dbraw/zinc/69/59/64/608695964.db2.gz PAXGVNZUFDYCCC-UHFFFAOYSA-N 1 0 383.452 1.622 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000825000566 608839851 /nfs/dbraw/zinc/83/98/51/608839851.db2.gz SMGTXTYLUCIRMI-ZDUSSCGKSA-N 1 0 375.440 1.849 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1nccc2ccccc21 ZINC000824999990 608840056 /nfs/dbraw/zinc/84/00/56/608840056.db2.gz LYZUVADYCJXHBE-CQSZACIVSA-N 1 0 387.451 1.916 20 0 GDADRO CC[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[NH+](CC)CC ZINC000825039214 609133939 /nfs/dbraw/zinc/13/39/39/609133939.db2.gz NZCYAQUDSHVAFC-SJORKVTESA-N 1 0 399.499 1.599 20 0 GDADRO Cc1cc(C(=O)NCC[NH+]2CCCCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259209 609147696 /nfs/dbraw/zinc/14/76/96/609147696.db2.gz LABNDBLXPDDACX-UHFFFAOYSA-N 1 0 394.483 1.967 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258956 609158831 /nfs/dbraw/zinc/15/88/31/609158831.db2.gz BZUOOIGZLXOCSH-WFASDCNBSA-N 1 0 380.456 1.573 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258047 609160231 /nfs/dbraw/zinc/16/02/31/609160231.db2.gz XVKSKAJTTPRFNB-PXAZEXFGSA-N 1 0 380.456 1.383 20 0 GDADRO C[NH+]1CCC(C)(CNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1 ZINC000826022623 609172301 /nfs/dbraw/zinc/17/23/01/609172301.db2.gz PNKDOGWHQOOXSH-UHFFFAOYSA-N 1 0 395.471 1.096 20 0 GDADRO COc1nc(C)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826221660 609172994 /nfs/dbraw/zinc/17/29/94/609172994.db2.gz PBEOLODRHPHCQM-UHFFFAOYSA-N 1 0 395.467 1.783 20 0 GDADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826433892 609188394 /nfs/dbraw/zinc/18/83/94/609188394.db2.gz UZEXLKLNYMTARR-WBVHZDCISA-N 1 0 398.492 1.915 20 0 GDADRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825391062 609210916 /nfs/dbraw/zinc/21/09/16/609210916.db2.gz UDNAQVUGEDEDLG-SFHVURJKSA-N 1 0 380.452 1.668 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1cccc(O)c1 ZINC000825865386 609215712 /nfs/dbraw/zinc/21/57/12/609215712.db2.gz BWHYDVVTAVLXLY-UHFFFAOYSA-N 1 0 380.452 1.705 20 0 GDADRO CC1CCC([NH+]2CCN(C(=O)[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824919348 609231967 /nfs/dbraw/zinc/23/19/67/609231967.db2.gz UGWXFEDTESQZCP-IUPXNIOVSA-N 1 0 384.484 1.623 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000824978401 609242472 /nfs/dbraw/zinc/24/24/72/609242472.db2.gz VTKQMNVLZLOMSD-UGSOOPFHSA-N 1 0 383.500 1.722 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825865398 609250954 /nfs/dbraw/zinc/25/09/54/609250954.db2.gz CLQWUYYTOHBXSZ-GOSISDBHSA-N 1 0 396.451 1.196 20 0 GDADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cc(=O)[nH]1 ZINC000826257650 609256149 /nfs/dbraw/zinc/25/61/49/609256149.db2.gz KRDQBVWMKHIUKW-UHFFFAOYSA-N 1 0 381.440 1.480 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C[NH+]1CCN(C)CC1 ZINC000824428471 609291783 /nfs/dbraw/zinc/29/17/83/609291783.db2.gz RZKPHJDEMXXSKC-GFCCVEGCSA-N 1 0 377.880 1.133 20 0 GDADRO C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1)C1=CC[N@H+](C)CC1 ZINC000824513570 609314086 /nfs/dbraw/zinc/31/40/86/609314086.db2.gz CMGRAUXAWULMQM-GFCCVEGCSA-N 1 0 393.455 1.015 20 0 GDADRO C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1)C1=CC[N@H+](C)CC1 ZINC000824477628 609314354 /nfs/dbraw/zinc/31/43/54/609314354.db2.gz BCJNHXMHVZILDE-CQSZACIVSA-N 1 0 397.483 1.742 20 0 GDADRO Cn1cc(C[NH2+]CC(C)(C)N2CCOCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360901 609335807 /nfs/dbraw/zinc/33/58/07/609335807.db2.gz CBIZNIOSHSTLOM-UHFFFAOYSA-N 1 0 396.499 1.468 20 0 GDADRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)CN1CCOCC1 ZINC000824427371 609339577 /nfs/dbraw/zinc/33/95/77/609339577.db2.gz MGAIEIKMTJOKJY-HNNXBMFYSA-N 1 0 396.499 1.325 20 0 GDADRO Cn1cc(C[NH2+]C[C@H](O)C2CCOCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360976 609339976 /nfs/dbraw/zinc/33/99/76/609339976.db2.gz FQCBPXUTZQXPIB-KRWDZBQOSA-N 1 0 383.456 1.144 20 0 GDADRO Cn1cc(C[NH2+]C[C@](C)(O)C(F)(F)F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361063 609343385 /nfs/dbraw/zinc/34/33/85/609343385.db2.gz JUZKULLKKHMVOR-HNNXBMFYSA-N 1 0 381.362 1.670 20 0 GDADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826060870 609362899 /nfs/dbraw/zinc/36/28/99/609362899.db2.gz VDCDEQMHWIBFJR-GFCCVEGCSA-N 1 0 379.262 1.587 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000825937693 609363357 /nfs/dbraw/zinc/36/33/57/609363357.db2.gz IBYJPGRHDALCJA-UHFFFAOYSA-N 1 0 399.434 1.751 20 0 GDADRO C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824471033 609367470 /nfs/dbraw/zinc/36/74/70/609367470.db2.gz NJAOLRFURAFLAE-DZGCQCFKSA-N 1 0 397.483 1.574 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000825856120 609390562 /nfs/dbraw/zinc/39/05/62/609390562.db2.gz OGOINLFSMULAJI-HXUWFJFHSA-N 1 0 396.451 1.701 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826443224 609416717 /nfs/dbraw/zinc/41/67/17/609416717.db2.gz GYEYARGOBQVOCE-SFHVURJKSA-N 1 0 378.436 1.363 20 0 GDADRO CC(C)[C@@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000824337987 609439018 /nfs/dbraw/zinc/43/90/18/609439018.db2.gz MELUGWUILWDRPH-GFCCVEGCSA-N 1 0 378.502 1.742 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000826494021 609544265 /nfs/dbraw/zinc/54/42/65/609544265.db2.gz LZHJEXJMMHPSTL-LBPRGKRZSA-N 1 0 382.877 1.379 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257956 609550884 /nfs/dbraw/zinc/55/08/84/609550884.db2.gz UVGSNVSWKYFNER-QGZVFWFLSA-N 1 0 392.467 1.671 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000825453157 609552177 /nfs/dbraw/zinc/55/21/77/609552177.db2.gz SUGYBGKBMFDUKT-UHFFFAOYSA-N 1 0 398.920 1.920 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)C(C)(C)C[NH+](C)C ZINC000824641222 609554486 /nfs/dbraw/zinc/55/44/86/609554486.db2.gz TXMAWSGBMKBORS-SNVBAGLBSA-N 1 0 386.909 1.775 20 0 GDADRO CC[C@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000825176321 609577022 /nfs/dbraw/zinc/57/70/22/609577022.db2.gz PDPAANNDUHURDP-MSOLQXFVSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](CCNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824402764 609605481 /nfs/dbraw/zinc/60/54/81/609605481.db2.gz YLANQUGBOXWBEZ-GFCCVEGCSA-N 1 0 379.490 1.191 20 0 GDADRO CSc1ncc(Cl)c(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000531028875 649985997 /nfs/dbraw/zinc/98/59/97/649985997.db2.gz DXDFBBUNRDCXID-UHFFFAOYSA-N 1 0 385.921 1.382 20 0 GDADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532540969 650027004 /nfs/dbraw/zinc/02/70/04/650027004.db2.gz WVQCWROGIDSRGV-GHMZBOCLSA-N 1 0 379.258 1.543 20 0 GDADRO COC(C)(C)C[N@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000532645456 650029386 /nfs/dbraw/zinc/02/93/86/650029386.db2.gz IEWHVLFOPNJCJJ-UHFFFAOYSA-N 1 0 386.290 1.861 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2cccs2)C[C@@H]1C ZINC000533340819 650048947 /nfs/dbraw/zinc/04/89/47/650048947.db2.gz WJHAVQDHXLVUSP-UONOGXRCSA-N 1 0 388.559 1.541 20 0 GDADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)ccc1S(C)(=O)=O ZINC000537970062 650302943 /nfs/dbraw/zinc/30/29/43/650302943.db2.gz FCPDGUWMVNGIMG-GXTWGEPZSA-N 1 0 390.527 1.173 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000538398995 650309273 /nfs/dbraw/zinc/30/92/73/650309273.db2.gz BLBOKEYGMVYAAZ-OAHLLOKOSA-N 1 0 379.507 1.962 20 0 GDADRO C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)[C@@H](c2ccccc2)C1 ZINC000538702722 650318903 /nfs/dbraw/zinc/31/89/03/650318903.db2.gz STBPQDWBTKARKY-HUUCEWRRSA-N 1 0 379.507 1.152 20 0 GDADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000539043494 650327568 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C[C@@H]1CN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)CC[C@H]1[NH3+] ZINC000419073206 645911903 /nfs/dbraw/zinc/91/19/03/645911903.db2.gz CBLVACAHFISJBF-IUODEOHRSA-N 1 0 394.313 1.793 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419074376 645911950 /nfs/dbraw/zinc/91/19/50/645911950.db2.gz DQUUUIOEQVTWLS-STQMWFEESA-N 1 0 394.313 1.793 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419182882 645914479 /nfs/dbraw/zinc/91/44/79/645914479.db2.gz HYUJNMGWSNXGDM-TZMCWYRMSA-N 1 0 397.317 1.116 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(O)c(Br)c1 ZINC000419418763 645916813 /nfs/dbraw/zinc/91/68/13/645916813.db2.gz YJWCRFKKJRMPJV-LBPRGKRZSA-N 1 0 384.274 1.371 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000419439435 645917732 /nfs/dbraw/zinc/91/77/32/645917732.db2.gz JJFQRUCHOURIDE-ZYHUDNBSSA-N 1 0 384.274 1.270 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419484908 645920195 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GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)Oc1ccccc1Br ZINC000419607444 645924506 /nfs/dbraw/zinc/92/45/06/645924506.db2.gz HBHDCVHLKNHFEI-AGIUHOORSA-N 1 0 398.301 1.576 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)Oc1ccc(Br)cc1 ZINC000419607481 645924515 /nfs/dbraw/zinc/92/45/15/645924515.db2.gz HDNJXLVBXSHRFD-XQQFMLRXSA-N 1 0 398.301 1.541 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000419606992 645924585 /nfs/dbraw/zinc/92/45/85/645924585.db2.gz GTFGYALPBQSWGA-CHWSQXEVSA-N 1 0 398.301 1.448 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000419608645 645924974 /nfs/dbraw/zinc/92/49/74/645924974.db2.gz IGNBLTKAOFFZIV-OLZOCXBDSA-N 1 0 398.301 1.448 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)Oc1ccc(Br)cc1 ZINC000419608439 645925000 /nfs/dbraw/zinc/92/50/00/645925000.db2.gz HXOYRRKHBNAVOA-NEPJUHHUSA-N 1 0 384.274 1.153 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cccc(Br)c1 ZINC000419642611 645925498 /nfs/dbraw/zinc/92/54/98/645925498.db2.gz MLFZBTKFMSLDKU-GWCFXTLKSA-N 1 0 384.274 1.295 20 0 GDADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)C(=O)N1CC[NH2+]CC1 ZINC000419764686 645930281 /nfs/dbraw/zinc/93/02/81/645930281.db2.gz WKMXZENQNUQXJJ-UHFFFAOYSA-N 1 0 382.194 1.643 20 0 GDADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419868455 645932262 /nfs/dbraw/zinc/93/22/62/645932262.db2.gz QXQCRMIYPKGRLZ-CYBMUJFWSA-N 1 0 388.693 1.914 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000419868270 645932290 /nfs/dbraw/zinc/93/22/90/645932290.db2.gz HXHWTCJFHJLPBF-UHFFFAOYSA-N 1 0 376.682 1.787 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000419873267 645932508 /nfs/dbraw/zinc/93/25/08/645932508.db2.gz VFXKNAPSESMNFY-CABCVRRESA-N 1 0 386.279 1.747 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000419869745 645932526 /nfs/dbraw/zinc/93/25/26/645932526.db2.gz JCMIPBHPDDYWFQ-ZDUSSCGKSA-N 1 0 384.274 1.457 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCOc2ccc(Br)cc2C1)C1CC1 ZINC000419870071 645932640 /nfs/dbraw/zinc/93/26/40/645932640.db2.gz RTEBYYWGPVZUEF-ZDUSSCGKSA-N 1 0 382.258 1.024 20 0 GDADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)ccc1Br ZINC000419872690 645932656 /nfs/dbraw/zinc/93/26/56/645932656.db2.gz FHMOPOYWJOFBAE-UKRRQHHQSA-N 1 0 380.286 1.899 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000419875185 645933088 /nfs/dbraw/zinc/93/30/88/645933088.db2.gz OKTGEZLVTWBWRL-CYBMUJFWSA-N 1 0 375.416 1.658 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N(Cc1cc(Br)ccc1F)C1CC1)C1CC1 ZINC000420059780 645934294 /nfs/dbraw/zinc/93/42/94/645934294.db2.gz JUNSHHDMYQZXDH-HNNXBMFYSA-N 1 0 398.276 1.933 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000420354214 645941537 /nfs/dbraw/zinc/94/15/37/645941537.db2.gz AYAATOTUQZKXTG-QFSBIZTOSA-N 1 0 397.317 1.480 20 0 GDADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000420474090 645943692 /nfs/dbraw/zinc/94/36/92/645943692.db2.gz FFZXPMVVZFPZIQ-SMDDNHRTSA-N 1 0 393.303 1.949 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000570911145 651059752 /nfs/dbraw/zinc/05/97/52/651059752.db2.gz JLTSVQXNXCJAMN-HNNXBMFYSA-N 1 0 396.333 1.232 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000570928349 651060881 /nfs/dbraw/zinc/06/08/81/651060881.db2.gz GICNNWGYALPCNZ-GHMZBOCLSA-N 1 0 381.420 1.616 20 0 GDADRO CNC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000420973692 645977236 /nfs/dbraw/zinc/97/72/36/645977236.db2.gz LOVSFFWAHBDIBP-ZWNOBZJWSA-N 1 0 375.238 1.396 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCc1ccc(Br)s1 ZINC000421139708 645982708 /nfs/dbraw/zinc/98/27/08/645982708.db2.gz LFVYDLATXPAWNF-NSHDSACASA-N 1 0 388.331 1.722 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(S(C)(=O)=O)s2)CC1 ZINC000421767599 646021777 /nfs/dbraw/zinc/02/17/77/646021777.db2.gz LHPZRJLNLUAGAG-CQSZACIVSA-N 1 0 385.555 1.394 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H](C)[NH3+] ZINC000422925051 646100005 /nfs/dbraw/zinc/10/00/05/646100005.db2.gz UYSFOLYAALNTCT-BBRMVZONSA-N 1 0 387.933 1.792 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)s1 ZINC000422936854 646101468 /nfs/dbraw/zinc/10/14/68/646101468.db2.gz NBYGZLNZVOHTQY-NVXWUHKLSA-N 1 0 387.571 1.635 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)ccc1Br ZINC000422955968 646103336 /nfs/dbraw/zinc/10/33/36/646103336.db2.gz NVPQYZPMTALLHQ-UHFFFAOYSA-N 1 0 380.286 1.728 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423000279 646107595 /nfs/dbraw/zinc/10/75/95/646107595.db2.gz GNOZCJSQXPPXNY-MFKMUULPSA-N 1 0 384.274 1.222 20 0 GDADRO COC(=O)C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423013002 646108840 /nfs/dbraw/zinc/10/88/40/646108840.db2.gz LUOXSJROVILTRC-OAHLLOKOSA-N 1 0 399.285 1.938 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N(Cc2cc(Br)ccc2F)C2CC2)C1 ZINC000423071691 646110934 /nfs/dbraw/zinc/11/09/34/646110934.db2.gz HZGKAXVAAUYRLS-GFCCVEGCSA-N 1 0 384.249 1.639 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423075391 646111600 /nfs/dbraw/zinc/11/16/00/646111600.db2.gz OKYIINBDUODYOE-ZIAGYGMSSA-N 1 0 380.286 1.475 20 0 GDADRO COC[C@]1(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC[NH2+]C1 ZINC000423096726 646112892 /nfs/dbraw/zinc/11/28/92/646112892.db2.gz PREKOTUVMXAKHV-INIZCTEOSA-N 1 0 385.258 1.463 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC2CC([NH+](C)C)C2)s1 ZINC000916929356 660203586 /nfs/dbraw/zinc/20/35/86/660203586.db2.gz FMNLEMQFEJRKGI-UHFFFAOYSA-N 1 0 387.571 1.824 20 0 GDADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423100964 646113962 /nfs/dbraw/zinc/11/39/62/646113962.db2.gz NDXAAMAUVPHRNN-GASCZTMLSA-N 1 0 394.313 1.864 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000423173608 646118068 /nfs/dbraw/zinc/11/80/68/646118068.db2.gz ZJCDLPLSWVBCPU-LSDHHAIUSA-N 1 0 380.286 1.933 20 0 GDADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 ZINC000423188183 646118456 /nfs/dbraw/zinc/11/84/56/646118456.db2.gz LKDUJSQKKQGTHK-WCQYABFASA-N 1 0 385.452 1.189 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000423242103 646121832 /nfs/dbraw/zinc/12/18/32/646121832.db2.gz YLBNHIIKICRQLY-AWEZNQCLSA-N 1 0 398.301 1.799 20 0 GDADRO Cc1nc(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)C[C@H]3C2)sc1Br ZINC000916664435 660198287 /nfs/dbraw/zinc/19/82/87/660198287.db2.gz XTARNEWRQPHPDQ-ZJUUUORDSA-N 1 0 380.333 1.786 20 0 GDADRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCSC[C@@H]2c2nccs2)CC1 ZINC000423556076 646129668 /nfs/dbraw/zinc/12/96/68/646129668.db2.gz BOPALGWNSKASRP-CQSZACIVSA-N 1 0 382.555 1.608 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000423570096 646131624 /nfs/dbraw/zinc/13/16/24/646131624.db2.gz NDNKBBAFSKSVAN-GHMZBOCLSA-N 1 0 386.315 1.981 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423577475 646132099 /nfs/dbraw/zinc/13/20/99/646132099.db2.gz HPDIGRWMPZODAR-UHFFFAOYSA-N 1 0 388.281 1.990 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423600390 646135915 /nfs/dbraw/zinc/13/59/15/646135915.db2.gz RPEXFCSFUDFDFS-SWLSCSKDSA-N 1 0 382.302 1.993 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C[C@@H](C)[NH2+]1 ZINC000423597464 646135918 /nfs/dbraw/zinc/13/59/18/646135918.db2.gz UERDKTNZXOPYRN-LALPHHSUSA-N 1 0 395.301 1.716 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@H](C[NH3+])C1 ZINC000423669650 646141505 /nfs/dbraw/zinc/14/15/05/646141505.db2.gz LPLUHRHHWACLKK-LSDHHAIUSA-N 1 0 388.295 1.917 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000423672484 646141859 /nfs/dbraw/zinc/14/18/59/646141859.db2.gz OGSGGRJPYPVJGX-GWCFXTLKSA-N 1 0 375.288 1.312 20 0 GDADRO CN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)[C@H](C[NH3+])C1CC1 ZINC000423946339 646145282 /nfs/dbraw/zinc/14/52/82/646145282.db2.gz JJIIJXYLZFKECR-OAHLLOKOSA-N 1 0 393.285 1.745 20 0 GDADRO CN(C(=O)CCN1c2ccc(Br)cc2OCC1=O)[C@H](C[NH3+])C1CC1 ZINC000423955130 646146496 /nfs/dbraw/zinc/14/64/96/646146496.db2.gz SDVJCIFTOHKSMR-CQSZACIVSA-N 1 0 396.285 1.760 20 0 GDADRO C[C@H](NC(=O)CCC(=O)N(C)CC[NH3+])C(=O)c1ccc(Br)cc1 ZINC000424000783 646151895 /nfs/dbraw/zinc/15/18/95/646151895.db2.gz GALYNAZOTWBGSS-NSHDSACASA-N 1 0 384.274 1.334 20 0 GDADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](CCCS(N)(=O)=O)CC2)cs1 ZINC000437543960 646211009 /nfs/dbraw/zinc/21/10/09/646211009.db2.gz WQMOKRKHJUNPED-ZDUSSCGKSA-N 1 0 376.548 1.037 20 0 GDADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000438848135 646224314 /nfs/dbraw/zinc/22/43/14/646224314.db2.gz GVJXBHOLBRLSGR-ZWNOBZJWSA-N 1 0 376.222 1.823 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439444680 646233062 /nfs/dbraw/zinc/23/30/62/646233062.db2.gz OTCLKEJLTIAOFR-HIFRSBDPSA-N 1 0 389.265 1.881 20 0 GDADRO CNC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439446625 646233861 /nfs/dbraw/zinc/23/38/61/646233861.db2.gz DQRHWSZGQBRUOL-QWHCGFSZSA-N 1 0 390.253 1.331 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000440077488 646238887 /nfs/dbraw/zinc/23/88/87/646238887.db2.gz LOIZJGXXUMIIPO-LBPRGKRZSA-N 1 0 389.905 1.357 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)NCCC[NH3+] ZINC000440729849 646252941 /nfs/dbraw/zinc/25/29/41/646252941.db2.gz HAQHIPPEGHQADP-UHFFFAOYSA-N 1 0 381.292 1.492 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@H](C)C[NH3+] ZINC000440731446 646253228 /nfs/dbraw/zinc/25/32/28/646253228.db2.gz GIXVSLNBDRFONY-LLVKDONJSA-N 1 0 395.319 1.832 20 0 GDADRO COc1ncc(S(=O)(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000917237859 660208897 /nfs/dbraw/zinc/20/88/97/660208897.db2.gz WDJTUQNPXMKQDS-AWEZNQCLSA-N 1 0 383.495 1.197 20 0 GDADRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000917882720 660223643 /nfs/dbraw/zinc/22/36/43/660223643.db2.gz CTNCNSWBXWGFES-UHFFFAOYSA-N 1 0 379.404 1.902 20 0 GDADRO CC[NH2+]CCNS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 ZINC000903487056 659317139 /nfs/dbraw/zinc/31/71/39/659317139.db2.gz XOYPFYDDYURRDA-UHFFFAOYSA-N 1 0 381.420 1.186 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000903487936 659317159 /nfs/dbraw/zinc/31/71/59/659317159.db2.gz NZGIVMAUQBJNTL-VIFPVBQESA-N 1 0 398.291 1.868 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc(Br)cnc1OC)C2 ZINC000903494520 659318491 /nfs/dbraw/zinc/31/84/91/659318491.db2.gz IFNDLJROPBWOOK-GHJWDPDVSA-N 1 0 384.274 1.565 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000919943895 660259966 /nfs/dbraw/zinc/25/99/66/660259966.db2.gz VNGRIXBMBQFRFE-NEPJUHHUSA-N 1 0 376.475 1.134 20 0 GDADRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444072952 647239370 /nfs/dbraw/zinc/23/93/70/647239370.db2.gz KVJLSVGJYRFGSM-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO OCC[N@H+](CCN1CCOCC1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000444393436 647250610 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660279964 /nfs/dbraw/zinc/27/99/64/660279964.db2.gz OVEGJBVCVFYDGI-UHFFFAOYSA-N 1 0 388.291 1.431 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)N2CCn3c(cnc3C(F)(F)F)C2)CCSC1 ZINC000921311952 660286254 /nfs/dbraw/zinc/28/62/54/660286254.db2.gz JXXXKYRMAQLXFS-CQSZACIVSA-N 1 0 377.436 1.864 20 0 GDADRO Cn1cc(I)c(CNC(=O)NC(C)(C)C[NH+](C)C)n1 ZINC000459103831 647458163 /nfs/dbraw/zinc/45/81/63/647458163.db2.gz NIMZQFDSKIAJJS-UHFFFAOYSA-N 1 0 379.246 1.164 20 0 GDADRO C[NH+](C)CCOCCNc1ncnc2cccc(I)c21 ZINC000460964781 647481017 /nfs/dbraw/zinc/48/10/17/647481017.db2.gz ARBSXGCWBMOSSI-UHFFFAOYSA-N 1 0 386.237 2.225 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)[C@H](CCSC)NS(=O)(=O)CC)CC1 ZINC000461221625 647486476 /nfs/dbraw/zinc/48/64/76/647486476.db2.gz NTUMUSGLXODLPA-HNNXBMFYSA-N 1 0 379.592 1.286 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c(Br)c1 ZINC000461897591 647503143 /nfs/dbraw/zinc/50/31/43/647503143.db2.gz CGFWEZVGBOGDIX-LBPRGKRZSA-N 1 0 391.287 1.594 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1F ZINC000461902858 647503491 /nfs/dbraw/zinc/50/34/91/647503491.db2.gz SPZKPQVRZAQPPR-OAHLLOKOSA-N 1 0 393.506 1.334 20 0 GDADRO C[C@@H](Nc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)C(C)(C)C[NH+](C)C ZINC000461946285 647504232 /nfs/dbraw/zinc/50/42/32/647504232.db2.gz FZNVNCZFJCTSHY-LLVKDONJSA-N 1 0 377.532 1.126 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462890346 647546824 /nfs/dbraw/zinc/54/68/24/647546824.db2.gz WFUIZPHOFWNOLA-WDEREUQCSA-N 1 0 377.919 1.184 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)c(C)s1 ZINC000463096783 647550276 /nfs/dbraw/zinc/55/02/76/647550276.db2.gz VEMVBPZDDMXFQF-UHFFFAOYSA-N 1 0 387.571 1.394 20 0 GDADRO COCC[C@@]1(C(=O)Nc2ccc(I)c(C)n2)CC[NH2+]C1 ZINC000463138900 647550937 /nfs/dbraw/zinc/55/09/37/647550937.db2.gz FCTOXYSQTUHHED-AWEZNQCLSA-N 1 0 389.237 1.949 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccnc(C[NH3+])c2)s1 ZINC000463492774 647560739 /nfs/dbraw/zinc/56/07/39/647560739.db2.gz CDIYVJITXAUDIN-UHFFFAOYSA-N 1 0 382.511 1.562 20 0 GDADRO O=C1C[C@]2(CN1)CCC[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000464798569 647588964 /nfs/dbraw/zinc/58/89/64/647588964.db2.gz JTTYREXCYSMRQI-PBHICJAKSA-N 1 0 383.286 1.791 20 0 GDADRO CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)c1ccc(Br)o1 ZINC000465234167 647594303 /nfs/dbraw/zinc/59/43/03/647594303.db2.gz ITAPRDUDXWXOTO-NEPJUHHUSA-N 1 0 384.274 1.809 20 0 GDADRO C[NH+](C)CC[C@H](NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1cccnc1 ZINC000921478636 660303800 /nfs/dbraw/zinc/30/38/00/660303800.db2.gz OOMVYLIRUSAWCM-LFVRLGFBSA-N 1 0 376.548 1.805 20 0 GDADRO C[NH+](C)CCCN(C(=O)CSC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000467641514 647648465 /nfs/dbraw/zinc/64/84/65/647648465.db2.gz SURZIZPACLNWIO-JKSUJKDBSA-N 1 0 392.587 1.256 20 0 GDADRO Cc1nc(CCCC(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000467644051 647648853 /nfs/dbraw/zinc/64/88/53/647648853.db2.gz QXLCHSREYUEZTJ-INIZCTEOSA-N 1 0 387.571 1.742 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469469533 647711936 /nfs/dbraw/zinc/71/19/36/647711936.db2.gz WXAQKPKKPWMURO-CQSZACIVSA-N 1 0 398.301 1.959 20 0 GDADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000469781906 647715782 /nfs/dbraw/zinc/71/57/82/647715782.db2.gz WURUIZLPVPICJI-HRCADAONSA-N 1 0 392.587 1.302 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000470005544 647719358 /nfs/dbraw/zinc/71/93/58/647719358.db2.gz YZLUJSDRCCLRDW-LBPRGKRZSA-N 1 0 384.274 1.465 20 0 GDADRO COC(=O)CCCCCS(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000471625700 647748883 /nfs/dbraw/zinc/74/88/83/647748883.db2.gz DIXVDHHABRAICC-CABCVRRESA-N 1 0 378.560 1.561 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000471642913 647749993 /nfs/dbraw/zinc/74/99/93/647749993.db2.gz FFEKBUNUNOFJRF-UHFFFAOYSA-N 1 0 387.246 1.584 20 0 GDADRO C[NH+](C)CCOCCNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000471643656 647750517 /nfs/dbraw/zinc/75/05/17/647750517.db2.gz JWJGJLGHVDHLCQ-UHFFFAOYSA-N 1 0 388.310 1.570 20 0 GDADRO NC(=O)[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000474667025 647763513 /nfs/dbraw/zinc/76/35/13/647763513.db2.gz HXPXNNKOCSVJDN-GXTWGEPZSA-N 1 0 381.274 1.511 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000478958770 647822210 /nfs/dbraw/zinc/82/22/10/647822210.db2.gz LALPCZWSJQOJAH-MRXNPFEDSA-N 1 0 382.302 1.676 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000479774842 647836062 /nfs/dbraw/zinc/83/60/62/647836062.db2.gz GIJQSPVCZOZSFU-UHFFFAOYSA-N 1 0 382.507 1.630 20 0 GDADRO CC1CCC(NS(=O)(=O)CC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000480272186 647842589 /nfs/dbraw/zinc/84/25/89/647842589.db2.gz AYFVWVQYVLEBPY-XUJLQICISA-N 1 0 377.576 1.038 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC=C(C(F)(F)F)CC1 ZINC000480864942 647859754 /nfs/dbraw/zinc/85/97/54/647859754.db2.gz BUJCNGKXIJVOPM-UHFFFAOYSA-N 1 0 380.436 1.945 20 0 GDADRO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000481433953 647876103 /nfs/dbraw/zinc/87/61/03/647876103.db2.gz JAVTXAHDJMBPNS-NSHDSACASA-N 1 0 377.894 1.265 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1Br ZINC000487875802 647955550 /nfs/dbraw/zinc/95/55/50/647955550.db2.gz GPPWIINGGWEWQO-UHFFFAOYSA-N 1 0 399.333 1.906 20 0 GDADRO C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)Oc1ccccc1Br ZINC000490824726 647990350 /nfs/dbraw/zinc/99/03/50/647990350.db2.gz VXRMFBUSHVVVRO-UKRRQHHQSA-N 1 0 382.302 1.723 20 0 GDADRO CSCC[C@@H]([NH3+])C(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000497320153 648023551 /nfs/dbraw/zinc/02/35/51/648023551.db2.gz NLQVWZHNXMWVKB-GXTWGEPZSA-N 1 0 380.432 1.984 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1F ZINC000497355154 648026791 /nfs/dbraw/zinc/02/67/91/648026791.db2.gz RPAKMXUOHLAETN-GFCCVEGCSA-N 1 0 393.506 1.335 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1F ZINC000497357411 648027065 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1.970 20 0 GDADRO C[C@H](C(=O)NCCCC[NH+](C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000498364379 648056146 /nfs/dbraw/zinc/05/61/46/648056146.db2.gz CBUGFAOKYDUJEE-LLVKDONJSA-N 1 0 396.285 1.892 20 0 GDADRO C[NH+](C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)ccc1F ZINC000499115916 648076241 /nfs/dbraw/zinc/07/62/41/648076241.db2.gz KWPPFDAFVPVHGU-CYBMUJFWSA-N 1 0 396.481 1.094 20 0 GDADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)n2)s1 ZINC000499779346 648092691 /nfs/dbraw/zinc/09/26/91/648092691.db2.gz SHOBEPVGGKRLPO-INIZCTEOSA-N 1 0 380.495 1.301 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000500763672 648118328 /nfs/dbraw/zinc/11/83/28/648118328.db2.gz YKWAQRBTJRLXIZ-HIFRSBDPSA-N 1 0 377.576 1.181 20 0 GDADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000502850875 648174929 /nfs/dbraw/zinc/17/49/29/648174929.db2.gz AEXMTMGCNVCLGS-HIFRSBDPSA-N 1 0 382.302 1.912 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000502899628 648177823 /nfs/dbraw/zinc/17/78/23/648177823.db2.gz RACQMJLOOPMWLM-QGZVFWFLSA-N 1 0 398.301 1.707 20 0 GDADRO CCCCN(C(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000503518174 648189680 /nfs/dbraw/zinc/18/96/80/648189680.db2.gz VJBODODLEKTOER-BFHYXJOUSA-N 1 0 382.473 1.552 20 0 GDADRO CSC[C@H](C)C(=O)N1CCC(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000507343342 648241575 /nfs/dbraw/zinc/24/15/75/648241575.db2.gz SSCJPMUOJQXKQV-KBXCAEBGSA-N 1 0 387.615 1.778 20 0 GDADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000507437341 648244876 /nfs/dbraw/zinc/24/48/76/648244876.db2.gz SODHCWXBQRSZHW-MRXNPFEDSA-N 1 0 377.551 1.559 20 0 GDADRO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000509822465 648300837 /nfs/dbraw/zinc/30/08/37/648300837.db2.gz SZJPVSWTNPUMMY-OAHLLOKOSA-N 1 0 375.535 1.313 20 0 GDADRO CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000510094489 648316664 /nfs/dbraw/zinc/31/66/64/648316664.db2.gz WKOVGFZWSCSOEE-NWDGAFQWSA-N 1 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ZINC000512266073 648401008 /nfs/dbraw/zinc/40/10/08/648401008.db2.gz CYVJBGZCZKNSTN-QWRGUYRKSA-N 1 0 383.297 1.486 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000515054465 648477918 /nfs/dbraw/zinc/47/79/18/648477918.db2.gz JNNVWHGZQZIXIH-NEPJUHHUSA-N 1 0 397.324 1.604 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1)C(C)C ZINC000515085891 648480411 /nfs/dbraw/zinc/48/04/11/648480411.db2.gz YDOSUCKOPKYXRY-LBPRGKRZSA-N 1 0 385.306 1.868 20 0 GDADRO O=C(CS(=O)(=O)c1cccc(Br)c1)NCC[C@H]1CCC[NH2+]1 ZINC000515174537 648483540 /nfs/dbraw/zinc/48/35/40/648483540.db2.gz RVAAUDUYCHJLNE-GFCCVEGCSA-N 1 0 375.288 1.481 20 0 GDADRO C[C@@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000515346555 648491653 /nfs/dbraw/zinc/49/16/53/648491653.db2.gz ADZXIYLTIXSEHK-XYZCENFISA-N 1 0 394.269 1.677 20 0 GDADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(Cl)cc(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000515352702 648492278 /nfs/dbraw/zinc/49/22/78/648492278.db2.gz LVLJYNKGJJPAKB-XKQJLSEDSA-N 1 0 385.917 1.724 20 0 GDADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)C1 ZINC000515499826 648497264 /nfs/dbraw/zinc/49/72/64/648497264.db2.gz HLILNPILPMEAQS-SECBINFHSA-N 1 0 381.267 1.969 20 0 GDADRO C[C@@H]1CCC[C@@](CNC(=O)NCCS(=O)(=O)NC(C)(C)C)([NH+](C)C)C1 ZINC000516154037 648514823 /nfs/dbraw/zinc/51/48/23/648514823.db2.gz LJAHETPVQKEDBQ-RHSMWYFYSA-N 1 0 376.567 1.514 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N(CCO)Cc1cc(Br)cs1 ZINC000516217953 648518343 /nfs/dbraw/zinc/51/83/43/648518343.db2.gz VONMXKCDYDYBQQ-UHFFFAOYSA-N 1 0 399.376 1.977 20 0 GDADRO CCC[NH+]1CCC(N(C)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000516652552 648531062 /nfs/dbraw/zinc/53/10/62/648531062.db2.gz DPEQJMVHZNCQCS-UHFFFAOYSA-N 1 0 387.933 1.951 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000516916983 648543704 /nfs/dbraw/zinc/54/37/04/648543704.db2.gz SHPGVIQIPYBDTQ-JOCQHMNTSA-N 1 0 385.306 1.675 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000517020767 648550981 /nfs/dbraw/zinc/55/09/81/648550981.db2.gz OKEOQLWGJCKIOA-CQSZACIVSA-N 1 0 389.543 1.138 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc1Br ZINC000517565900 648569186 /nfs/dbraw/zinc/56/91/86/648569186.db2.gz NIZMDECWHSWEEB-RKDXNWHRSA-N 1 0 378.292 1.730 20 0 GDADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000517739111 648575638 /nfs/dbraw/zinc/57/56/38/648575638.db2.gz JNNUQZDYVTVQSZ-CYBMUJFWSA-N 1 0 377.457 1.384 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)c1OC ZINC000517743038 648575977 /nfs/dbraw/zinc/57/59/77/648575977.db2.gz XXABUCIYLTXBMA-HNNXBMFYSA-N 1 0 376.862 1.495 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)C[C@@H](c2cccc(Br)c2)C1=O ZINC000517759007 648576868 /nfs/dbraw/zinc/57/68/68/648576868.db2.gz HHLHLVABQMPXFG-CABCVRRESA-N 1 0 383.286 1.993 20 0 GDADRO O=C(CNC(=O)NC1(c2cccc(Br)c2)CC1)N1CC[NH2+]CC1 ZINC000517900657 648580840 /nfs/dbraw/zinc/58/08/40/648580840.db2.gz HGINDKXEHVFNCD-UHFFFAOYSA-N 1 0 381.274 1.169 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)C[C@@H]1O ZINC000518009694 648584754 /nfs/dbraw/zinc/58/47/54/648584754.db2.gz ISXQSUDTIANDJR-KBPBESRZSA-N 1 0 398.232 1.990 20 0 GDADRO O=C(c1csc(C(F)(F)F)n1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000518182735 648589634 /nfs/dbraw/zinc/58/96/34/648589634.db2.gz KPBVXFPQHAJNJH-JTQLQIEISA-N 1 0 376.404 1.446 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(S(N)(=O)=O)s1)c1ccc(F)cc1 ZINC000518307029 648593324 /nfs/dbraw/zinc/59/33/24/648593324.db2.gz JWJHAJQUXLJRKE-AWEZNQCLSA-N 1 0 385.486 1.496 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC000518373539 648595441 /nfs/dbraw/zinc/59/54/41/648595441.db2.gz XYLYSZSVTDGLKV-LBPRGKRZSA-N 1 0 396.285 1.114 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccc(Cl)s1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518424879 648598109 /nfs/dbraw/zinc/59/81/09/648598109.db2.gz LYUSEOIHEQQAQG-NSHDSACASA-N 1 0 377.919 1.375 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000518596821 648604265 /nfs/dbraw/zinc/60/42/65/648604265.db2.gz OJVUVIIJJKWKLN-ZNMIVQPWSA-N 1 0 379.592 1.427 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000518772391 648610082 /nfs/dbraw/zinc/61/00/82/648610082.db2.gz UWOVJDXYKDGUEX-RNCFNFMXSA-N 1 0 380.297 1.386 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000519062207 648620116 /nfs/dbraw/zinc/62/01/16/648620116.db2.gz BQJUKJMHDRMHAJ-ZDUSSCGKSA-N 1 0 375.922 1.855 20 0 GDADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000520106107 648643782 /nfs/dbraw/zinc/64/37/82/648643782.db2.gz YQFXPFROVUGCCT-UHFFFAOYSA-N 1 0 381.523 1.528 20 0 GDADRO CCC(CC)[C@H](CNC(=O)NCCS(=O)(=O)NC(C)C)[NH+]1CCCC1 ZINC000520210306 648646061 /nfs/dbraw/zinc/64/60/61/648646061.db2.gz GBSCIRSCWQEODP-INIZCTEOSA-N 1 0 376.567 1.514 20 0 GDADRO O=C(Cn1cc(Br)cn1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000521467688 648658378 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Cn1c(=O)cc(CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n(C)c1=O ZINC000528770166 648728669 /nfs/dbraw/zinc/72/86/69/648728669.db2.gz WLUNCMIBXGCYGO-OAHLLOKOSA-N 1 0 385.295 1.783 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000528816357 648729253 /nfs/dbraw/zinc/72/92/53/648729253.db2.gz IWLQVUNXIGBLNS-BMIGLBTASA-N 1 0 389.880 1.356 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000571184432 651068538 /nfs/dbraw/zinc/06/85/38/651068538.db2.gz YZNYGFRDLLTYLD-UWVGGRQHSA-N 1 0 380.923 1.059 20 0 GDADRO O=C(CCOc1cccc(Br)c1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000571319064 651072839 /nfs/dbraw/zinc/07/28/39/651072839.db2.gz PFUZRZUBSMUEHY-QGZVFWFLSA-N 1 0 383.286 1.791 20 0 GDADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000571365116 651074735 /nfs/dbraw/zinc/07/47/35/651074735.db2.gz GABGECLIWZWYDC-NSHDSACASA-N 1 0 381.495 1.204 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000571519464 651078899 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C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000581944098 651980943 /nfs/dbraw/zinc/98/09/43/651980943.db2.gz QJIOSBHTLXNMJL-NXEZZACHSA-N 1 0 388.693 1.914 20 0 GDADRO CSC1(CNC(=O)NCCn2cc(Br)cn2)CC[NH+](C)CC1 ZINC000582459444 651997488 /nfs/dbraw/zinc/99/74/88/651997488.db2.gz OAANJGAXGUGKRE-UHFFFAOYSA-N 1 0 390.351 1.772 20 0 GDADRO CCOC(=O)c1sc([C@@H](C)NS(=O)(=O)CC[NH+](CC)CC)nc1C ZINC000582455159 651997530 /nfs/dbraw/zinc/99/75/30/651997530.db2.gz GQQUUTXVBHLCTO-GFCCVEGCSA-N 1 0 377.532 1.950 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000582725120 652010982 /nfs/dbraw/zinc/01/09/82/652010982.db2.gz FXAFDBYBGHIJBU-WDEREUQCSA-N 1 0 386.294 1.928 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Br)c(F)cc3F)C[C@@H]12 ZINC000582893421 652019564 /nfs/dbraw/zinc/01/95/64/652019564.db2.gz WSTVABDMTLFQJG-DNSOKLHBSA-N 1 0 388.212 1.862 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(CN(CC[NH+](C)C)Cc2ccccn2)s1 ZINC000583032803 652024196 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381.523 1.499 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(Cc3coc(-c4ccc(Br)cc4)n3)CCN2C1=O ZINC000584005486 652052341 /nfs/dbraw/zinc/05/23/41/652052341.db2.gz VTYFNQXZCXOWHQ-HUUCEWRRSA-N 1 0 391.269 1.848 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000584112854 652054333 /nfs/dbraw/zinc/05/43/33/652054333.db2.gz NLVLWXGPERVUKV-AWEZNQCLSA-N 1 0 375.441 1.444 20 0 GDADRO O=C1CN(CCC[NH2+]Cc2cccc(Br)c2OC(F)F)CCN1 ZINC000584242256 652063511 /nfs/dbraw/zinc/06/35/11/652063511.db2.gz MMGSSNAFJWZRRM-UHFFFAOYSA-N 1 0 392.244 1.962 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000584460062 652070997 /nfs/dbraw/zinc/07/09/97/652070997.db2.gz XGWZPMXZDHVPPS-QWHCGFSZSA-N 1 0 398.301 1.530 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000584590273 652077066 /nfs/dbraw/zinc/07/70/66/652077066.db2.gz TUZLPOAYRHGZEU-BDAKNGLRSA-N 1 0 381.292 1.870 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000584593924 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COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000592207203 652177095 /nfs/dbraw/zinc/17/70/95/652177095.db2.gz JEGHCNXXXBDIGJ-BNOWGMLFSA-N 1 0 388.258 1.045 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)NCCOc1ccc(I)cc1 ZINC000592275793 652180395 /nfs/dbraw/zinc/18/03/95/652180395.db2.gz ORSQUAHNPZUAGU-CYBMUJFWSA-N 1 0 390.221 1.165 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592381258 652185425 /nfs/dbraw/zinc/18/54/25/652185425.db2.gz CWSQXQJLTZSKAD-MFKMUULPSA-N 1 0 392.262 1.664 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592537981 652192981 /nfs/dbraw/zinc/19/29/81/652192981.db2.gz PJIBLOGYAYUQQM-QLFBSQMISA-N 1 0 377.576 1.038 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@H]1c1ccc(Br)cc1 ZINC000592569097 652196020 /nfs/dbraw/zinc/19/60/20/652196020.db2.gz ZFFWHJINNCKFGZ-ZIRHEVKLSA-N 1 0 393.281 1.915 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(F)c1 ZINC000593571465 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C[N@@H+]1CCCC[C@@H](CNC(=O)CSCc2cc(=O)n3ccsc3n2)C1 ZINC000600309473 652532884 /nfs/dbraw/zinc/53/28/84/652532884.db2.gz AELHHVGTYMSXCK-ZDUSSCGKSA-N 1 0 380.539 1.837 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600470046 652541345 /nfs/dbraw/zinc/54/13/45/652541345.db2.gz DXSCSEXINJUCBK-HUUCEWRRSA-N 1 0 377.576 1.181 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(F)c(F)cc1I ZINC000600531189 652544649 /nfs/dbraw/zinc/54/46/49/652544649.db2.gz FILZWOVIYZSTLC-MRVPVSSYSA-N 1 0 396.175 1.366 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000601347098 652568543 /nfs/dbraw/zinc/56/85/43/652568543.db2.gz BNNVGFHPIIKECO-JTQLQIEISA-N 1 0 376.500 1.600 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000601347375 652568555 /nfs/dbraw/zinc/56/85/55/652568555.db2.gz JCPYONYSGXWCEP-WPRPVWTQSA-N 1 0 377.260 1.346 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C ZINC000601356254 652569860 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COc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1Br ZINC000602459758 652637683 /nfs/dbraw/zinc/63/76/83/652637683.db2.gz XBNCKOFNLZNFKY-LLVKDONJSA-N 1 0 384.274 1.997 20 0 GDADRO C[S@@](=O)C1(C(=O)N2CCc3cccc(Br)c3C2)CC[NH2+]CC1 ZINC000602458664 652637751 /nfs/dbraw/zinc/63/77/51/652637751.db2.gz OEYMGMLTLRSEKU-JOCHJYFZSA-N 1 0 385.327 1.835 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602466750 652638031 /nfs/dbraw/zinc/63/80/31/652638031.db2.gz WLHGBWGEQZWYBN-AMXDTQDGSA-N 1 0 387.343 1.997 20 0 GDADRO COC(=O)[C@]1(NC(=O)[C@@H](C)[C@@H](C)[NH3+])CCc2cc(Br)ccc2C1 ZINC000602545872 652640544 /nfs/dbraw/zinc/64/05/44/652640544.db2.gz YFUKOSFBJHSDHY-RVPKQNPDSA-N 1 0 383.286 1.949 20 0 GDADRO [NH3+]CC1(NC(=O)COc2ccc(I)cc2)CCOCC1 ZINC000602546204 652640612 /nfs/dbraw/zinc/64/06/12/652640612.db2.gz GZXLCQFEWBVHQW-UHFFFAOYSA-N 1 0 390.221 1.294 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)c1ccc(I)cc1Cl ZINC000602549084 652640858 /nfs/dbraw/zinc/64/08/58/652640858.db2.gz BMYGEAVSIVUNPF-VIFPVBQESA-N 1 0 380.613 1.663 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)c1cc(F)c(F)cc1I ZINC000602550553 652640939 /nfs/dbraw/zinc/64/09/39/652640939.db2.gz KOBDNQXRJMXIKT-SSDOTTSWSA-N 1 0 382.148 1.288 20 0 GDADRO C[C@@H]1CN(C(=O)c2sc3c(c2I)CNC3)C[C@H]1C[NH3+] ZINC000602589669 652642431 /nfs/dbraw/zinc/64/24/31/652642431.db2.gz AUHNVJKYSDOCRC-HTQZYQBOSA-N 1 0 391.278 1.623 20 0 GDADRO C[C@@H](CNC(=O)c1nn(C)cc1I)[NH+]1CCC(C)CC1 ZINC000602818870 652647696 /nfs/dbraw/zinc/64/76/96/652647696.db2.gz XFXSDWXOBFHHDW-NSHDSACASA-N 1 0 390.269 1.875 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nn(C)cc1I ZINC000602863865 652650621 /nfs/dbraw/zinc/65/06/21/652650621.db2.gz IGOQPPGDGUQYGI-SNVBAGLBSA-N 1 0 376.242 1.629 20 0 GDADRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000602917052 652656116 /nfs/dbraw/zinc/65/61/16/652656116.db2.gz QKYOPLGVQQTYGV-XJKSGUPXSA-N 1 0 378.252 1.997 20 0 GDADRO CSC1CC[NH+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000602922594 652656148 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CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)C[C@@H]1C ZINC000607160785 652792312 /nfs/dbraw/zinc/79/23/12/652792312.db2.gz AZFZLTMYMLHVTH-UONOGXRCSA-N 1 0 389.543 1.088 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H]1c1cccs1 ZINC000607671561 652804156 /nfs/dbraw/zinc/80/41/56/652804156.db2.gz QKGRDZIOOUXBQN-XJKSGUPXSA-N 1 0 387.571 1.965 20 0 GDADRO COC(=O)CCCS(=O)(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000609824043 652859009 /nfs/dbraw/zinc/85/90/09/652859009.db2.gz IGCFIVRTCRVJQT-UHFFFAOYSA-N 1 0 376.519 1.283 20 0 GDADRO O=C(Nc1cc(I)ccc1O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000611204697 652911190 /nfs/dbraw/zinc/91/11/90/652911190.db2.gz SUSWXVRFFQOTFA-GFCCVEGCSA-N 1 0 387.221 1.325 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1NC(C)=O ZINC000611243063 652912228 /nfs/dbraw/zinc/91/22/28/652912228.db2.gz WWVVMUOAIHUFEE-GOEBONIOSA-N 1 0 387.527 1.320 20 0 GDADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000613227583 652955833 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1.918 20 0 GDADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000615309596 652962688 /nfs/dbraw/zinc/96/26/88/652962688.db2.gz AOLSSSNBPGEPDV-ILXRZTDVSA-N 1 0 385.555 1.842 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)c1cc(Br)cc2c1OCCO2 ZINC000615990591 652966612 /nfs/dbraw/zinc/96/66/12/652966612.db2.gz GKTVALLWGIUFJC-UHFFFAOYSA-N 1 0 385.258 1.407 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2n[nH]c(C)c2Br)CC1=O ZINC000616010682 652966977 /nfs/dbraw/zinc/96/69/77/652966977.db2.gz PYEKTKRRULFFGU-NEPJUHHUSA-N 1 0 398.305 1.752 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000617360193 652973769 /nfs/dbraw/zinc/97/37/69/652973769.db2.gz RJPZJSPCVDZTLR-AWEZNQCLSA-N 1 0 383.290 1.565 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000617415179 652974004 /nfs/dbraw/zinc/97/40/04/652974004.db2.gz ZLAVLRWUKSTOGX-LBPRGKRZSA-N 1 0 382.258 1.385 20 0 GDADRO Cc1c(Br)cc(C(=O)NCCN(C)CCC[NH+](C)C)c(=O)n1C ZINC000617764207 652976367 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[NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCNC(=O)c1ccc(Br)cc1)C2 ZINC000621689569 652998835 /nfs/dbraw/zinc/99/88/35/652998835.db2.gz JQAIIWCNOFKONE-CXAGYDPISA-N 1 0 380.286 1.909 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC000621700935 652998963 /nfs/dbraw/zinc/99/89/63/652998963.db2.gz ZTYGYBYCJMLOSX-BMIGLBTASA-N 1 0 392.308 1.612 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1C[C@H]3CCC[C@]3([NH3+])C1)C2 ZINC000622031108 653000964 /nfs/dbraw/zinc/00/09/64/653000964.db2.gz HNXSOIZIWUEYNJ-ACJLOTCBSA-N 1 0 392.297 1.940 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCc3c(Br)cccc3C1)C2 ZINC000622026724 653000990 /nfs/dbraw/zinc/00/09/90/653000990.db2.gz PYBFMXUTNXQAEA-FZKQIMNGSA-N 1 0 392.297 1.674 20 0 GDADRO CN(C)S(=O)(=O)N1CC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000624284954 653011623 /nfs/dbraw/zinc/01/16/23/653011623.db2.gz FXVRBXGGAVOSFN-CYBMUJFWSA-N 1 0 392.294 1.656 20 0 GDADRO CN(C)S(=O)(=O)N1CC([NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000624284978 653011643 /nfs/dbraw/zinc/01/16/43/653011643.db2.gz GRPSXXYRZGNCRL-IAGOWNOFSA-N 1 0 387.933 1.510 20 0 GDADRO O=S(=O)(NCc1cn([C@@H]2CC[NH2+]C2)nn1)C1CCC(C(F)(F)F)CC1 ZINC000624413044 653012486 /nfs/dbraw/zinc/01/24/86/653012486.db2.gz TYABRUNPDGCHFV-YXMLORGKSA-N 1 0 381.424 1.353 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000624415529 653012941 /nfs/dbraw/zinc/01/29/41/653012941.db2.gz OZSMJINRKHSJSO-WCBMZHEXSA-N 1 0 377.260 1.249 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000624414297 653013008 /nfs/dbraw/zinc/01/30/08/653013008.db2.gz HEWMUVWOLYERKK-APHBMKBZSA-N 1 0 385.917 1.614 20 0 GDADRO CCOC1(CS(=O)(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CCOCC1 ZINC000625081416 653017335 /nfs/dbraw/zinc/01/73/35/653017335.db2.gz PFQKJIJRHSRMBG-KRWDZBQOSA-N 1 0 376.563 1.860 20 0 GDADRO Cn1cc(CC[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)nn1 ZINC000625236954 653024068 /nfs/dbraw/zinc/02/40/68/653024068.db2.gz ZYRKKSRMNSYCIY-LBPRGKRZSA-N 1 0 393.289 1.866 20 0 GDADRO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1CC ZINC000625331223 653028037 /nfs/dbraw/zinc/02/80/37/653028037.db2.gz FEVQPNKNTASCIH-OLZOCXBDSA-N 1 0 387.468 1.437 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C ZINC000625401959 653032335 /nfs/dbraw/zinc/03/23/35/653032335.db2.gz CFYJVVGROIMNCM-LLVKDONJSA-N 1 0 375.878 1.680 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000625422743 653034025 /nfs/dbraw/zinc/03/40/25/653034025.db2.gz ABGZBUWXLSEKNQ-OAHLLOKOSA-N 1 0 388.555 1.881 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625775355 653044908 /nfs/dbraw/zinc/04/49/08/653044908.db2.gz MJLPFUPWYHFVIG-KGLIPLIRSA-N 1 0 381.523 1.193 20 0 GDADRO CC(C)[N@H+](C)C[C@H](O)CN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796297 653045546 /nfs/dbraw/zinc/04/55/46/653045546.db2.gz JFWBBPZELSLXFT-QZTJIDSGSA-N 1 0 385.346 1.960 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccn(-c2ccc(Br)cc2)n1 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UUSINOITWRWLJF-CYBMUJFWSA-N 1 0 393.285 1.891 20 0 GDADRO C[NH+](C)CCCN(C(=O)[C@@H]1Cc2ccc(Cl)cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000631676432 653242886 /nfs/dbraw/zinc/24/28/86/653242886.db2.gz WVAFVJZKEBTQHE-NVXWUHKLSA-N 1 0 384.929 1.947 20 0 GDADRO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631701419 653244668 /nfs/dbraw/zinc/24/46/68/653244668.db2.gz OUVVMEDQOVLZBZ-XVKPBYJWSA-N 1 0 387.246 1.763 20 0 GDADRO Cn1c2ccc(S(=O)(=O)NC3CC[NH+](CC4CC4)CC3)cc2sc1=O ZINC000631773165 653252312 /nfs/dbraw/zinc/25/23/12/653252312.db2.gz UQQFTOUAPNFEFC-UHFFFAOYSA-N 1 0 381.523 1.753 20 0 GDADRO Cc1cc(S(=O)(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)sn1 ZINC000631895583 653263661 /nfs/dbraw/zinc/26/36/61/653263661.db2.gz UAXTTZVHPRNDJZ-MRXNPFEDSA-N 1 0 380.539 1.719 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1ccc(COCC(F)(F)F)cc1 ZINC000631910358 653267672 /nfs/dbraw/zinc/26/76/72/653267672.db2.gz CTELLSBDERJOPQ-CQSZACIVSA-N 1 0 382.404 1.173 20 0 GDADRO 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GDADRO C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC000638656078 653542168 /nfs/dbraw/zinc/54/21/68/653542168.db2.gz JUKXMCKKZSANLB-ZYHUDNBSSA-N 1 0 379.404 1.240 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C[NH2+]1 ZINC000638654951 653542229 /nfs/dbraw/zinc/54/22/29/653542229.db2.gz NUMBRYUNFODLGZ-KBPBESRZSA-N 1 0 385.555 1.722 20 0 GDADRO CC[C@@H]([NH2+]Cc1cnn2cc(Br)cnc12)C(=O)N1CCOCC1 ZINC000638722282 653542519 /nfs/dbraw/zinc/54/25/19/653542519.db2.gz QEMJNPWWYYSDTL-CYBMUJFWSA-N 1 0 382.262 1.219 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccs1 ZINC000638773368 653543260 /nfs/dbraw/zinc/54/32/60/653543260.db2.gz JYUQNVQQPRTUCP-WBVHZDCISA-N 1 0 380.535 1.999 20 0 GDADRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639057597 653545131 /nfs/dbraw/zinc/54/51/31/653545131.db2.gz CRTXMEHXUJRLJD-QWRGUYRKSA-N 1 0 376.320 1.621 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(=O)N1CCCC1 ZINC000639132259 653547064 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O[C@@H](COc1cccc(Br)c1)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641197240 653562578 /nfs/dbraw/zinc/56/25/78/653562578.db2.gz VVBLZZKKWKPCJB-SWLSCSKDSA-N 1 0 381.274 1.633 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000641425534 653567235 /nfs/dbraw/zinc/56/72/35/653567235.db2.gz PPKJOZMOVNCMIH-GFCCVEGCSA-N 1 0 399.289 1.029 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000641941431 653576173 /nfs/dbraw/zinc/57/61/73/653576173.db2.gz MYKRVBNWMKHLNW-UHFFFAOYSA-N 1 0 394.324 1.824 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)NCc1cc(Br)ccc1Br ZINC000642052580 653576707 /nfs/dbraw/zinc/57/67/07/653576707.db2.gz VDDGMYIWYHKTKI-SSDOTTSWSA-N 1 0 393.079 1.291 20 0 GDADRO O=C(NCc1cc(Cl)ccc1OC(F)F)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642359064 653578277 /nfs/dbraw/zinc/57/82/77/653578277.db2.gz VIIVREBYAGDKGN-GFCCVEGCSA-N 1 0 375.803 1.816 20 0 GDADRO O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642640543 653578922 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NC(=O)C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000643804427 653589545 /nfs/dbraw/zinc/58/95/45/653589545.db2.gz SBAPWGRRPVJSKX-BZNIZROVSA-N 1 0 377.268 1.435 20 0 GDADRO O=C(CCCS(=O)(=O)c1cccc(Br)c1)NCC[NH2+]C1CC1 ZINC000644083816 653595420 /nfs/dbraw/zinc/59/54/20/653595420.db2.gz MKYBNXJZEMWOCW-UHFFFAOYSA-N 1 0 389.315 1.871 20 0 GDADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000644131970 653595914 /nfs/dbraw/zinc/59/59/14/653595914.db2.gz FUNQVLSEWGBKEN-AWEZNQCLSA-N 1 0 387.527 1.031 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644299276 653597350 /nfs/dbraw/zinc/59/73/50/653597350.db2.gz IOKIBZDVMYKEBH-JOYOIKCWSA-N 1 0 393.278 1.921 20 0 GDADRO O[C@H](C[NH2+]CC1(N2CCOCC2)CC1)COc1ccc(Br)cc1 ZINC000644633269 653599779 /nfs/dbraw/zinc/59/97/79/653599779.db2.gz VIPUYXZJFIXSAJ-OAHLLOKOSA-N 1 0 385.302 1.643 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000644657439 653599978 /nfs/dbraw/zinc/59/99/78/653599978.db2.gz QNEJRFKIKAQQKM-OLZOCXBDSA-N 1 0 384.420 1.363 20 0 GDADRO COc1ncc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000644675745 653599990 /nfs/dbraw/zinc/59/99/90/653599990.db2.gz KVORCORJWRMRSS-CYBMUJFWSA-N 1 0 384.274 1.836 20 0 GDADRO C[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644709453 653600090 /nfs/dbraw/zinc/60/00/90/653600090.db2.gz QCTFXPWKMNNMAS-RYUDHWBXSA-N 1 0 397.324 1.699 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000645185673 653601855 /nfs/dbraw/zinc/60/18/55/653601855.db2.gz BVJWVCDSKVBQRB-OAHLLOKOSA-N 1 0 398.301 1.545 20 0 GDADRO O=C(Nc1nc(CC(F)(F)F)cs1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645328517 653602235 /nfs/dbraw/zinc/60/22/35/653602235.db2.gz MWRAFYFWMOKHQS-JTQLQIEISA-N 1 0 376.404 1.787 20 0 GDADRO C[NH+]1CCC2(CC1)CN(c1cc(Br)cc(F)c1C(N)=O)CCO2 ZINC000645385213 653602449 /nfs/dbraw/zinc/60/24/49/653602449.db2.gz QVNUSACATULEIA-UHFFFAOYSA-N 1 0 386.265 1.988 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCc1cccc(Br)c1 ZINC000645451697 653602803 /nfs/dbraw/zinc/60/28/03/653602803.db2.gz CUFZMGBMOWWKKZ-ZDUSSCGKSA-N 1 0 397.317 1.753 20 0 GDADRO COc1cc(CNC(=O)NCCOCC[NH+](C)C)c(Br)cc1O ZINC000645466083 653602969 /nfs/dbraw/zinc/60/29/69/653602969.db2.gz MVGKYGVJKLEESP-UHFFFAOYSA-N 1 0 390.278 1.541 20 0 GDADRO COc1cc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)ccc1Cl ZINC000645836506 653607316 /nfs/dbraw/zinc/60/73/16/653607316.db2.gz SZZMUILXSJSCHW-LLVKDONJSA-N 1 0 375.878 1.089 20 0 GDADRO Cc1cccc2cc(S(=O)(=O)N3CN(CC[NH+](C)C)C(=O)[C@@H]3C)sc21 ZINC000645836470 653607338 /nfs/dbraw/zinc/60/73/38/653607338.db2.gz SBWKXHXDFCPREZ-ZDUSSCGKSA-N 1 0 381.523 1.950 20 0 GDADRO O=C(COc1ccc(F)cc1Br)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000646119753 653608981 /nfs/dbraw/zinc/60/89/81/653608981.db2.gz QKUBOHZNQZZBSI-ZDUSSCGKSA-N 1 0 386.265 1.473 20 0 GDADRO Cn1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(-c2ccc(Cl)s2)n1 ZINC000646364717 653610007 /nfs/dbraw/zinc/61/00/07/653610007.db2.gz GGGVDAXGHKUPHT-LBPRGKRZSA-N 1 0 379.917 1.922 20 0 GDADRO CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000646553044 653610692 /nfs/dbraw/zinc/61/06/92/653610692.db2.gz KPUPZFOPVPYZAG-ZDUSSCGKSA-N 1 0 382.404 1.305 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000646670064 653612242 /nfs/dbraw/zinc/61/22/42/653612242.db2.gz YCJUOTJFHOPBSB-ZJUUUORDSA-N 1 0 380.242 1.241 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1ccsc1 ZINC000646669454 653612276 /nfs/dbraw/zinc/61/22/76/653612276.db2.gz PNHCBIGTSZBOTI-UKRRQHHQSA-N 1 0 388.559 1.163 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CCO1 ZINC000646848079 653614932 /nfs/dbraw/zinc/61/49/32/653614932.db2.gz KACOAXPIERWOBG-NXEZZACHSA-N 1 0 390.303 1.157 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CCO1 ZINC000646856435 653615238 /nfs/dbraw/zinc/61/52/38/653615238.db2.gz HLNRSHAJQSSSLF-RISCZKNCSA-N 1 0 384.274 1.144 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C)([NH3+])CC3)C2)s1 ZINC000646995280 653618768 /nfs/dbraw/zinc/61/87/68/653618768.db2.gz OTDRDDBXDYFRNR-CQSZACIVSA-N 1 0 385.555 1.797 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000647098643 653620588 /nfs/dbraw/zinc/62/05/88/653620588.db2.gz XGTKLESSJIRCTK-QWHCGFSZSA-N 1 0 378.853 1.141 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000647204251 653623229 /nfs/dbraw/zinc/62/32/29/653623229.db2.gz ARWXVRLRTJRYJR-UHFFFAOYSA-N 1 0 375.878 1.855 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000647223272 653623288 /nfs/dbraw/zinc/62/32/88/653623288.db2.gz QCICEQZPKYQXAB-CQSZACIVSA-N 1 0 381.475 1.415 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c(F)c1 ZINC000647213928 653623336 /nfs/dbraw/zinc/62/33/36/653623336.db2.gz GGJJNVWVYKYGCN-GFCCVEGCSA-N 1 0 384.454 1.134 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647234828 653624089 /nfs/dbraw/zinc/62/40/89/653624089.db2.gz BSLORLZUYHLVJX-QPUJVOFHSA-N 1 0 397.266 1.334 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000647300172 653625504 /nfs/dbraw/zinc/62/55/04/653625504.db2.gz XAJCKHDHBBVNSR-DOMZBBRYSA-N 1 0 385.555 1.955 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647303935 653625724 /nfs/dbraw/zinc/62/57/24/653625724.db2.gz QFHXTVNKRJSVLJ-HNNXBMFYSA-N 1 0 387.889 1.727 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647306797 653625734 /nfs/dbraw/zinc/62/57/34/653625734.db2.gz JIWCEQKRSVKWAU-HUUCEWRRSA-N 1 0 385.555 1.785 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000647324924 653626382 /nfs/dbraw/zinc/62/63/82/653626382.db2.gz NPBUHGQPCGVJIU-CABCVRRESA-N 1 0 389.905 1.651 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCCN1CCO ZINC000647531704 653628244 /nfs/dbraw/zinc/62/82/44/653628244.db2.gz UQFKNIUQPQFDCO-ABAIWWIYSA-N 1 0 377.268 1.306 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000647779779 653634255 /nfs/dbraw/zinc/63/42/55/653634255.db2.gz QPURVTOIROBPKF-NSHDSACASA-N 1 0 379.404 1.052 20 0 GDADRO C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1C[NH3+] ZINC000647822287 653635279 /nfs/dbraw/zinc/63/52/79/653635279.db2.gz NRQOKEODQNKUDE-QMTHXVAHSA-N 1 0 394.324 1.858 20 0 GDADRO C[C@H](NC(=O)COC1(C)C[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000648004235 653637206 /nfs/dbraw/zinc/63/72/06/653637206.db2.gz XAVVJBJAVAMZMY-JTQLQIEISA-N 1 0 385.258 1.776 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H]1CNc2ccnn2C1)c1ccc(Cl)cc1F ZINC000648031130 653637400 /nfs/dbraw/zinc/63/74/00/653637400.db2.gz CODMTTUPNZGOCD-NSHDSACASA-N 1 0 387.868 1.285 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000648107732 653638770 /nfs/dbraw/zinc/63/87/70/653638770.db2.gz KAJAXTRMBVYAMG-GHMZBOCLSA-N 1 0 379.404 1.179 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)C(C)C)cc1 ZINC000648145787 653639928 /nfs/dbraw/zinc/63/99/28/653639928.db2.gz HBANCZSQXRVPLF-UONOGXRCSA-N 1 0 377.457 1.397 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648183730 653640766 /nfs/dbraw/zinc/64/07/66/653640766.db2.gz MWXXJDQAOLBPOZ-SNVBAGLBSA-N 1 0 377.919 1.471 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648206600 653641135 /nfs/dbraw/zinc/64/11/35/653641135.db2.gz IBMMGBUVXWJYLC-AWEZNQCLSA-N 1 0 380.286 1.970 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000648447856 653649738 /nfs/dbraw/zinc/64/97/38/653649738.db2.gz LAYAZMKTJKCWKB-UHFFFAOYSA-N 1 0 394.310 1.255 20 0 GDADRO C[C@@H](CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)n1cc(Br)cn1 ZINC000648785895 653655581 /nfs/dbraw/zinc/65/55/81/653655581.db2.gz GQBFOCCVDIUXBB-GOEBONIOSA-N 1 0 398.349 1.835 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC[N@@H+]1C ZINC000648874653 653658856 /nfs/dbraw/zinc/65/88/56/653658856.db2.gz HEQQGHGECWOWAJ-GHMZBOCLSA-N 1 0 377.436 1.936 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1ccc(F)cc1Br ZINC000649071909 653663482 /nfs/dbraw/zinc/66/34/82/653663482.db2.gz UPQYICCQBLWWTD-NSHDSACASA-N 1 0 386.265 1.709 20 0 GDADRO C[C@]([NH3+])(C(=O)N1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000649278961 653666434 /nfs/dbraw/zinc/66/64/34/653666434.db2.gz OVYPGYQRHZZMQY-FUHWJXTLSA-N 1 0 396.329 1.946 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000649422427 653667403 /nfs/dbraw/zinc/66/74/03/653667403.db2.gz UMJRJZCAYJKUIV-UHFFFAOYSA-N 1 0 383.848 1.467 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000649483469 653668362 /nfs/dbraw/zinc/66/83/62/653668362.db2.gz MXQYQVDHABPYOC-GFCCVEGCSA-N 1 0 377.432 1.504 20 0 GDADRO C[NH+](C)CCN1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1=O ZINC000649688050 653671893 /nfs/dbraw/zinc/67/18/93/653671893.db2.gz PBWIDKBFHKXNOK-UHFFFAOYSA-N 1 0 384.274 1.384 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)C[C@H]3CCCCC3(F)F)CC2)C1 ZINC000649766207 653673994 /nfs/dbraw/zinc/67/39/94/653673994.db2.gz HHIVWTILHIRHOO-HZPDHXFCSA-N 1 0 379.517 1.854 20 0 GDADRO CN(CC[NH+]1CCCCC1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000649889028 653678294 /nfs/dbraw/zinc/67/82/94/653678294.db2.gz NFMONXMGCFWBFK-UHFFFAOYSA-N 1 0 388.921 1.344 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649945959 653679577 /nfs/dbraw/zinc/67/95/77/653679577.db2.gz WOUKOLDJRWYADV-UHFFFAOYSA-N 1 0 383.290 1.995 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)N[C@H](c2nccs2)C(F)(F)F)CC1=O ZINC000650230502 653688317 /nfs/dbraw/zinc/68/83/17/653688317.db2.gz KJMQFXCFXXIFKS-LLVKDONJSA-N 1 0 379.408 1.162 20 0 GDADRO Cc1ccc(F)c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1Br ZINC000650307731 653691078 /nfs/dbraw/zinc/69/10/78/653691078.db2.gz MLOQTTRKRIBEKE-UHFFFAOYSA-N 1 0 386.265 1.743 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1=O ZINC000650307858 653691368 /nfs/dbraw/zinc/69/13/68/653691368.db2.gz RGIVJRVIBOHEIE-UHFFFAOYSA-N 1 0 394.313 1.713 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC000651279041 653817609 /nfs/dbraw/zinc/81/76/09/653817609.db2.gz HGPWKSHDIUOBQK-INIZCTEOSA-N 1 0 385.917 1.360 20 0 GDADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCS(=O)(=O)N1 ZINC000651279042 653817642 /nfs/dbraw/zinc/81/76/42/653817642.db2.gz HGPWKSHDIUOBQK-MRXNPFEDSA-N 1 0 385.917 1.360 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1nscc1Br ZINC000651348610 653820592 /nfs/dbraw/zinc/82/05/92/653820592.db2.gz YNGHNPNMEHWNEW-LLVKDONJSA-N 1 0 389.319 1.042 20 0 GDADRO Cc1cc(Br)sc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000651569422 653832704 /nfs/dbraw/zinc/83/27/04/653832704.db2.gz WUTJPTBBRZWLBJ-UHFFFAOYSA-N 1 0 397.360 1.944 20 0 GDADRO CCO[C@@H]1CN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C[NH3+] ZINC000652356323 653888330 /nfs/dbraw/zinc/88/83/30/653888330.db2.gz AXWACDDKAYZPQF-DAXOMENPSA-N 1 0 382.302 1.850 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000652418369 653890516 /nfs/dbraw/zinc/89/05/16/653890516.db2.gz IANRYKGYDZSKKW-CQSZACIVSA-N 1 0 383.286 1.888 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)C[C@H]1C[NH3+] ZINC000652635671 653894846 /nfs/dbraw/zinc/89/48/46/653894846.db2.gz BLQCBNWKDIUQKV-IUODEOHRSA-N 1 0 398.301 1.827 20 0 GDADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653078682 653905313 /nfs/dbraw/zinc/90/53/13/653905313.db2.gz HXQYCRZSVWAVJP-USBNGQNGSA-N 1 0 375.252 1.085 20 0 GDADRO O=C(NCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)c1ccc(Br)cc1 ZINC000653075260 653905346 /nfs/dbraw/zinc/90/53/46/653905346.db2.gz LHSGBIYJZDNLAZ-CABCVRRESA-N 1 0 380.286 1.826 20 0 GDADRO O=C(NCc1cc(Br)ccc1OC(F)F)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653083973 653905891 /nfs/dbraw/zinc/90/58/91/653905891.db2.gz QKJQUVIJZVSRLD-BONVTDFDSA-N 1 0 391.212 1.903 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000653083643 653905920 /nfs/dbraw/zinc/90/59/20/653905920.db2.gz DGZNBGJKWBHFKL-NSHDSACASA-N 1 0 380.233 1.946 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1nscc1Br ZINC000653137681 653906879 /nfs/dbraw/zinc/90/68/79/653906879.db2.gz NIVATFOTGCLXEO-MRVPVSSYSA-N 1 0 387.225 1.472 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000653153875 653907236 /nfs/dbraw/zinc/90/72/36/653907236.db2.gz BACPHSVNLCBFHU-JGGQBBKZSA-N 1 0 380.286 1.966 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)CCn3cc(Br)cn3)C2)C1 ZINC000653189170 653907972 /nfs/dbraw/zinc/90/79/72/653907972.db2.gz UOLXNFBBIXIVNR-YUELXQCFSA-N 1 0 385.306 1.781 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000653261723 653909154 /nfs/dbraw/zinc/90/91/54/653909154.db2.gz WEFNGKQSRIYYEG-YUTCNCBUSA-N 1 0 387.527 1.157 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000653444820 653913486 /nfs/dbraw/zinc/91/34/86/653913486.db2.gz QAXXXOUMERCKMH-JFGNBEQYSA-N 1 0 394.269 1.772 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654439856 653936905 /nfs/dbraw/zinc/93/69/05/653936905.db2.gz YDQCVXMBIYOGTA-CYBMUJFWSA-N 1 0 397.317 1.599 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2)n1 ZINC000654544044 653940014 /nfs/dbraw/zinc/94/00/14/653940014.db2.gz LFRDAHXZFRAXPY-UHFFFAOYSA-N 1 0 394.273 1.576 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)CS(=O)(=O)NC(C)(C)C)cc1F ZINC000655434689 653969602 /nfs/dbraw/zinc/96/96/02/653969602.db2.gz FABQGDFQEPEDJX-UHFFFAOYSA-N 1 0 375.466 1.423 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000655461751 653969847 /nfs/dbraw/zinc/96/98/47/653969847.db2.gz XUZINCKNMHZHDP-XJKSGUPXSA-N 1 0 382.302 1.643 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCOc2cccc(Br)c2C1 ZINC000655504037 653971435 /nfs/dbraw/zinc/97/14/35/653971435.db2.gz KRNQLTDDHLAMER-AWEZNQCLSA-N 1 0 396.285 1.428 20 0 GDADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(F)(F)F ZINC000655505596 653971715 /nfs/dbraw/zinc/97/17/15/653971715.db2.gz CNNVBVQRERWMAL-CHWSQXEVSA-N 1 0 379.404 1.236 20 0 GDADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)C(C)C)cc1 ZINC000655506231 653972056 /nfs/dbraw/zinc/97/20/56/653972056.db2.gz QHJWCOZGEBTDOK-QWHCGFSZSA-N 1 0 381.420 1.304 20 0 GDADRO CC[C@@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000655508728 653972672 /nfs/dbraw/zinc/97/26/72/653972672.db2.gz NSAHIYHQSUHEBN-WDEREUQCSA-N 1 0 376.770 1.950 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](C[NH3+])C(F)(F)F)s1 ZINC000655509670 653973027 /nfs/dbraw/zinc/97/30/27/653973027.db2.gz NSUXOVBXDKSARC-ZJUUUORDSA-N 1 0 385.433 1.215 20 0 GDADRO [NH3+]CC(=O)NCC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655524664 653974231 /nfs/dbraw/zinc/97/42/31/653974231.db2.gz DZFAZSCVMVJSDM-UHFFFAOYSA-N 1 0 379.675 1.370 20 0 GDADRO [NH3+]C[C@H](NC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000655912475 653993489 /nfs/dbraw/zinc/99/34/89/653993489.db2.gz ONSWNSWYEIRKMX-LBPRGKRZSA-N 1 0 378.782 1.697 20 0 GDADRO [NH3+]C[C@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)C(F)(F)F ZINC000655918493 653994092 /nfs/dbraw/zinc/99/40/92/653994092.db2.gz KEWBBMDIAXXBLQ-LBPRGKRZSA-N 1 0 378.782 1.583 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)C(F)(F)F ZINC000655918492 653994226 /nfs/dbraw/zinc/99/42/26/653994226.db2.gz KEWBBMDIAXXBLQ-GFCCVEGCSA-N 1 0 378.782 1.583 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC[C@H](CO)Cc1ccccc1Br)C(F)(F)F ZINC000655928300 653994688 /nfs/dbraw/zinc/99/46/88/653994688.db2.gz KXYDGXCZHOLVJX-SKDRFNHKSA-N 1 0 398.223 1.789 20 0 GDADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000655950033 653995702 /nfs/dbraw/zinc/99/57/02/653995702.db2.gz IFBQERRCMRIAHQ-ZDUSSCGKSA-N 1 0 376.320 1.162 20 0 GDADRO C[C@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ncc(Br)cn1 ZINC000655964008 653996710 /nfs/dbraw/zinc/99/67/10/653996710.db2.gz GMWMRRDGCLPEDX-NSHDSACASA-N 1 0 386.294 1.398 20 0 GDADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cn3cccnc3n2)C1 ZINC000656606820 654039856 /nfs/dbraw/zinc/03/98/56/654039856.db2.gz UEPBOOJQKRACQS-CYBMUJFWSA-N 1 0 377.495 1.591 20 0 GDADRO CC[C@H](C)CC[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000656705616 654047651 /nfs/dbraw/zinc/04/76/51/654047651.db2.gz RGXDUGZYFCYKFQ-AWEZNQCLSA-N 1 0 376.544 1.736 20 0 GDADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)C1 ZINC000656898237 654067466 /nfs/dbraw/zinc/06/74/66/654067466.db2.gz LLODAJIHRYWBFO-IXDOHACOSA-N 1 0 376.563 1.858 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N2CCC(OC)CC2)[C@@H](C)C1 ZINC000656904740 654069029 /nfs/dbraw/zinc/06/90/29/654069029.db2.gz MRBJVUIJVZHDLY-RDJZCZTQSA-N 1 0 377.551 1.069 20 0 GDADRO CO[C@H](CS(=O)(=O)N1CCC(OCC[NH+](C)C)CC1)C1CCCCC1 ZINC000656915327 654071109 /nfs/dbraw/zinc/07/11/09/654071109.db2.gz KFBFPFUWOFUMQP-GOSISDBHSA-N 1 0 376.563 1.954 20 0 GDADRO CO[C@@H](CS(=O)(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000656919170 654072045 /nfs/dbraw/zinc/07/20/45/654072045.db2.gz RAWMHERLJICYST-WMZOPIPTSA-N 1 0 375.579 1.385 20 0 GDADRO CO[C@@H](CS(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1)C1CCCCC1 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COc1ncc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c(C)c1Br ZINC000657655986 654153525 /nfs/dbraw/zinc/15/35/25/654153525.db2.gz FYTXPOFNSJJPPH-SNVBAGLBSA-N 1 0 385.262 1.168 20 0 GDADRO COC[C@H](CC1CCOCC1)[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000657930270 654171925 /nfs/dbraw/zinc/17/19/25/654171925.db2.gz MHVRKLWBURFFKZ-HNNXBMFYSA-N 1 0 376.544 1.790 20 0 GDADRO COC1([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)CCOCC1 ZINC000658096072 654182160 /nfs/dbraw/zinc/18/21/60/654182160.db2.gz NOIJQIQIKKUURC-GFCCVEGCSA-N 1 0 386.290 1.748 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N(C3CC3)C3CC[NH2+]CC3)cc2C1 ZINC000658362473 654185842 /nfs/dbraw/zinc/18/58/42/654185842.db2.gz ARZMRLVSLXDHJF-UHFFFAOYSA-N 1 0 383.539 1.558 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000658408005 654191387 /nfs/dbraw/zinc/19/13/87/654191387.db2.gz IIBSGBZGVYFHFQ-VXGBXAGGSA-N 1 0 380.283 1.575 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000658452105 654193234 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[NH3+]C1(CNC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)CCCC1 ZINC000659570603 654229321 /nfs/dbraw/zinc/22/93/21/654229321.db2.gz JLLKMBLJSFJVEA-UHFFFAOYSA-N 1 0 386.543 1.472 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000659616221 654229969 /nfs/dbraw/zinc/22/99/69/654229969.db2.gz SZVMJLGJAGZJLZ-CHHLVHLRSA-N 1 0 393.285 1.384 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCc3cc(Br)cc(F)c32)n1 ZINC000659631465 654230299 /nfs/dbraw/zinc/23/02/99/654230299.db2.gz WCALUJMYNIMNMP-UHFFFAOYSA-N 1 0 396.220 1.815 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCc3cc(Br)ccc3C2)n1 ZINC000659629901 654230317 /nfs/dbraw/zinc/23/03/17/654230317.db2.gz CFUQQBFDAUZIQK-UHFFFAOYSA-N 1 0 392.257 1.671 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659632201 654230416 /nfs/dbraw/zinc/23/04/16/654230416.db2.gz RQCHWXHJQWHSOW-UHFFFAOYSA-N 1 0 376.364 1.458 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000659647565 654231334 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GDADRO COC1CC[NH+](CCNC(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000662492020 654297086 /nfs/dbraw/zinc/29/70/86/654297086.db2.gz DFMOXLALAHMBAN-UHFFFAOYSA-N 1 0 388.331 1.954 20 0 GDADRO CCc1nc(CN2CCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CC2)cs1 ZINC000662703958 654300590 /nfs/dbraw/zinc/30/05/90/654300590.db2.gz XHNQYHOMTXXMLE-OAHLLOKOSA-N 1 0 376.448 1.892 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C2(c3ccc(Br)cc3)CC2)n1 ZINC000662753934 654301600 /nfs/dbraw/zinc/30/16/00/654301600.db2.gz ZYEIJHMAGZKEAI-UHFFFAOYSA-N 1 0 377.242 1.751 20 0 GDADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662754071 654301608 /nfs/dbraw/zinc/30/16/08/654301608.db2.gz CJDDGMRELLWYDQ-SECBINFHSA-N 1 0 381.230 1.487 20 0 GDADRO Cc1cc(CCC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)ccc1Br ZINC000662751758 654301624 /nfs/dbraw/zinc/30/16/24/654301624.db2.gz VFSRYGIWGCKTCZ-UHFFFAOYSA-N 1 0 379.258 1.961 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000662880802 654316304 /nfs/dbraw/zinc/31/63/04/654316304.db2.gz CHBNIHBRBJYAGH-LSDHHAIUSA-N 1 0 396.285 1.217 20 0 GDADRO COc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1Br ZINC000663312363 654333053 /nfs/dbraw/zinc/33/30/53/654333053.db2.gz XBELXBBIKDONHE-JTQLQIEISA-N 1 0 391.209 1.968 20 0 GDADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3cc(Br)cnn3)CC2)C1 ZINC000663555107 654342320 /nfs/dbraw/zinc/34/23/20/654342320.db2.gz VHDVULJZAWUYFX-HNNXBMFYSA-N 1 0 384.322 1.470 20 0 GDADRO C[C@]1(NC(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC[NH2+]C1 ZINC000663586719 654344533 /nfs/dbraw/zinc/34/45/33/654344533.db2.gz RTRMYXSZINJKHD-ZDUSSCGKSA-N 1 0 380.392 1.401 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000663896688 654359853 /nfs/dbraw/zinc/35/98/53/654359853.db2.gz MNRZOTIIXZHYMB-UHFFFAOYSA-N 1 0 383.290 1.382 20 0 GDADRO C[C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)Oc1ccccc1Br ZINC000664319806 654373886 /nfs/dbraw/zinc/37/38/86/654373886.db2.gz BTFTUEYHWKWQRS-UBHSHLNASA-N 1 0 386.290 1.533 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)CCO1 ZINC000664478538 654381500 /nfs/dbraw/zinc/38/15/00/654381500.db2.gz GWJGONPZOOEXNX-ZDUSSCGKSA-N 1 0 396.289 1.675 20 0 GDADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000666098716 654419736 /nfs/dbraw/zinc/41/97/36/654419736.db2.gz WLTICNFPLAGOQG-CVEARBPZSA-N 1 0 375.535 1.096 20 0 GDADRO Cc1cc(Br)cc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1C ZINC000666266115 654421634 /nfs/dbraw/zinc/42/16/34/654421634.db2.gz NNOPKMJRAWKNMF-UHFFFAOYSA-N 1 0 382.302 1.912 20 0 GDADRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768849915 654436721 /nfs/dbraw/zinc/43/67/21/654436721.db2.gz TVNFZKFCHRCJPO-MLPAPPSSSA-N 1 0 376.906 1.513 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)/C=C/c1ccccc1Br ZINC000768908316 654441190 /nfs/dbraw/zinc/44/11/90/654441190.db2.gz DHFSYVPYMCXDCJ-KPKJPENVSA-N 1 0 377.304 1.653 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000667149462 654443641 /nfs/dbraw/zinc/44/36/41/654443641.db2.gz NAMQGILNGUMDJR-LLVKDONJSA-N 1 0 381.424 1.408 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CCO1 ZINC000667404125 654448930 /nfs/dbraw/zinc/44/89/30/654448930.db2.gz BOFLTOBJALEXGA-PELKAZGASA-N 1 0 390.665 1.616 20 0 GDADRO O=C(NCC1C[NH2+]C1)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000667438880 654450921 /nfs/dbraw/zinc/45/09/21/654450921.db2.gz DAZXZFWTAGNUHO-UHFFFAOYSA-N 1 0 380.164 1.742 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CCO1 ZINC000667480532 654451933 /nfs/dbraw/zinc/45/19/33/654451933.db2.gz XRRWHXQWDCELOV-SNVBAGLBSA-N 1 0 377.388 1.466 20 0 GDADRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC[NH2+]1 ZINC000667517388 654453537 /nfs/dbraw/zinc/45/35/37/654453537.db2.gz DWUHCCBFWMCDQD-CQSZACIVSA-N 1 0 398.276 1.934 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769843132 654486711 /nfs/dbraw/zinc/48/67/11/654486711.db2.gz XTRPYKHZFQBWGQ-GFCCVEGCSA-N 1 0 395.305 1.248 20 0 GDADRO CCC[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)S(N)(=O)=O ZINC000668627998 654488364 /nfs/dbraw/zinc/48/83/64/654488364.db2.gz ZLFTXGYOLQMRQH-AWEZNQCLSA-N 1 0 377.576 1.312 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000668744261 654490791 /nfs/dbraw/zinc/49/07/91/654490791.db2.gz ZJVKYGLATCPEEJ-LLVKDONJSA-N 1 0 379.262 1.449 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cn(C)c(Cl)n2)[C@@H](C)C1 ZINC000769900277 654491283 /nfs/dbraw/zinc/49/12/83/654491283.db2.gz OZCWQFZHVUTOMK-QWHCGFSZSA-N 1 0 378.926 1.489 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000669043071 654497700 /nfs/dbraw/zinc/49/77/00/654497700.db2.gz BHLQGOIVTJTNBL-SECBINFHSA-N 1 0 378.420 1.767 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000669227393 654500362 /nfs/dbraw/zinc/50/03/62/654500362.db2.gz AHNFZDAYFBADMT-UHFFFAOYSA-N 1 0 388.295 1.573 20 0 GDADRO C[NH+](C)CCCCNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000733161142 654500822 /nfs/dbraw/zinc/50/08/22/654500822.db2.gz LVPDJWJHALUHGI-UHFFFAOYSA-N 1 0 375.441 1.477 20 0 GDADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)nc12 ZINC000669559285 654505571 /nfs/dbraw/zinc/50/55/71/654505571.db2.gz DKKSQZAZCKDILE-RISCZKNCSA-N 1 0 396.289 1.663 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)NC[C@H]3CCC[NH2+]3)C2=O)ccc1Br ZINC000669561541 654506010 /nfs/dbraw/zinc/50/60/10/654506010.db2.gz ZNWIFXCRCACRNQ-DOMZBBRYSA-N 1 0 395.301 1.914 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)C1 ZINC000669932840 654515478 /nfs/dbraw/zinc/51/54/78/654515478.db2.gz LVWHKISIWDFGQR-LSDHHAIUSA-N 1 0 380.432 1.693 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000671817309 654544454 /nfs/dbraw/zinc/54/44/54/654544454.db2.gz PQBRBYVAAZJLEP-ZDUSSCGKSA-N 1 0 396.285 1.427 20 0 GDADRO O=C(Cc1cc[nH]c(=O)c1Br)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000772277174 654558473 /nfs/dbraw/zinc/55/84/73/654558473.db2.gz NACNLPUZFGNNOD-AWEZNQCLSA-N 1 0 398.301 1.852 20 0 GDADRO CC1(C)CN(C(=O)NCCNc2ncc(Cl)cc2Cl)CC[N@@H+]1CCO ZINC000672728923 654562933 /nfs/dbraw/zinc/56/29/33/654562933.db2.gz GAQIEXCBOXRLNK-UHFFFAOYSA-N 1 0 390.315 1.898 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)Oc1ccccc1Br ZINC000673249571 654572302 /nfs/dbraw/zinc/57/23/02/654572302.db2.gz CLKKBCWFXSKZFA-QWHCGFSZSA-N 1 0 398.301 1.543 20 0 GDADRO Cc1ccc(-n2cnnc2SCC(=O)N[C@H](CO)C[NH+](C)C)cc1Cl ZINC000673519697 654576057 /nfs/dbraw/zinc/57/60/57/654576057.db2.gz DKWSATKDLQZJAH-LBPRGKRZSA-N 1 0 383.905 1.360 20 0 GDADRO Cc1c(C(=O)N[C@H](CO)C[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC000673522135 654576482 /nfs/dbraw/zinc/57/64/82/654576482.db2.gz UFQSZCKOBMTUNV-ZDUSSCGKSA-N 1 0 381.274 1.596 20 0 GDADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000773055838 654578976 /nfs/dbraw/zinc/57/89/76/654578976.db2.gz YCQZFQXPIIPUPJ-DOMZBBRYSA-N 1 0 389.543 1.850 20 0 GDADRO CC[C@H](O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000673697181 654581545 /nfs/dbraw/zinc/58/15/45/654581545.db2.gz CHEUTQRUZXCZBD-LBPRGKRZSA-N 1 0 381.420 1.246 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)s1 ZINC000673861679 654584189 /nfs/dbraw/zinc/58/41/89/654584189.db2.gz KTMHDSHKIQIALC-UHFFFAOYSA-N 1 0 378.439 1.298 20 0 GDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000674406109 654599188 /nfs/dbraw/zinc/59/91/88/654599188.db2.gz KJSHTMXMUHMJJZ-ZETCQYMHSA-N 1 0 396.644 1.219 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000736647724 654599945 /nfs/dbraw/zinc/59/99/45/654599945.db2.gz NGDKVKAIYJERLZ-QWHCGFSZSA-N 1 0 383.905 1.575 20 0 GDADRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000675101145 654608485 /nfs/dbraw/zinc/60/84/85/654608485.db2.gz FNTVZJARMNMHEW-UHFFFAOYSA-N 1 0 380.491 1.678 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000774148939 654613555 /nfs/dbraw/zinc/61/35/55/654613555.db2.gz JIHKQWGRTPLMGU-NSHDSACASA-N 1 0 383.290 1.939 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)ccc1S(C)(=O)=O ZINC000675746443 654623730 /nfs/dbraw/zinc/62/37/30/654623730.db2.gz ICZLRHYHCVHFRY-GFCCVEGCSA-N 1 0 378.516 1.031 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000774312596 654624920 /nfs/dbraw/zinc/62/49/20/654624920.db2.gz MGVFJIFVVOPINM-QWRGUYRKSA-N 1 0 381.274 1.832 20 0 GDADRO O=C(CCn1cc(Br)cn1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000676088102 654635251 /nfs/dbraw/zinc/63/52/51/654635251.db2.gz SRRWARTZQHFMRI-HZPDHXFCSA-N 1 0 399.333 1.920 20 0 GDADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000676845935 654651401 /nfs/dbraw/zinc/65/14/01/654651401.db2.gz HTYACYZIZIOESB-JSGCOSHPSA-N 1 0 389.543 1.070 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000738364882 654656572 /nfs/dbraw/zinc/65/65/72/654656572.db2.gz FBCHNQZABFBAMN-GJZGRUSLSA-N 1 0 386.949 1.914 20 0 GDADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000678584000 654691764 /nfs/dbraw/zinc/69/17/64/654691764.db2.gz JUFIRRCDQIKMOW-ZDUSSCGKSA-N 1 0 389.949 1.994 20 0 GDADRO CN(CC(=O)N1CCC12CC[NH+](C)CC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000742183941 654696479 /nfs/dbraw/zinc/69/64/79/654696479.db2.gz LPICVNOXPZGALG-UHFFFAOYSA-N 1 0 385.917 1.657 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000742319674 654702796 /nfs/dbraw/zinc/70/27/96/654702796.db2.gz AKQBSQFIWOUNEK-HNNXBMFYSA-N 1 0 375.535 1.743 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)C2CCN(C(=O)OCC)CC2)C1 ZINC000742343339 654704174 /nfs/dbraw/zinc/70/41/74/654704174.db2.gz DRGMKUSETWHODG-HNNXBMFYSA-N 1 0 375.535 1.601 20 0 GDADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000679739081 654706259 /nfs/dbraw/zinc/70/62/59/654706259.db2.gz JVNQZKNJQAJISL-OAHLLOKOSA-N 1 0 385.917 1.520 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCCSCc2ccnc(Cl)c2)CC1=O ZINC000777449802 654719534 /nfs/dbraw/zinc/71/95/34/654719534.db2.gz PZIAQMIDAMHPFZ-AWEZNQCLSA-N 1 0 384.933 1.495 20 0 GDADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=S)NCC[NH+](C)C ZINC000777483423 654720049 /nfs/dbraw/zinc/72/00/49/654720049.db2.gz NRSKQPYATVZENR-CQSZACIVSA-N 1 0 384.571 1.655 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000681122845 654722837 /nfs/dbraw/zinc/72/28/37/654722837.db2.gz OPLMFCSPSHVRCZ-UHFFFAOYSA-N 1 0 382.258 1.335 20 0 GDADRO CCOCCNC(=S)C(C(=O)c1nccs1)[n+]1ccc(N(C)C)cc1 ZINC000778083968 654731358 /nfs/dbraw/zinc/73/13/58/654731358.db2.gz MJSZFGMAOVRVDJ-UHFFFAOYSA-O 1 0 379.531 1.814 20 0 GDADRO O=c1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)nc2ccc(Br)cn12 ZINC000681603098 654735358 /nfs/dbraw/zinc/73/53/58/654735358.db2.gz OIQHXEBKKRCBHV-ZDUSSCGKSA-N 1 0 375.230 1.496 20 0 GDADRO O=S1(=O)CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000682187297 654749335 /nfs/dbraw/zinc/74/93/35/654749335.db2.gz RYBACDBYXOHBCB-GXFFZTMASA-N 1 0 396.278 1.352 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000746868884 654769107 /nfs/dbraw/zinc/76/91/07/654769107.db2.gz NBJYWSKNAQKCOQ-UHFFFAOYSA-N 1 0 385.921 1.243 20 0 GDADRO Cc1c(Br)cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(=O)n1C ZINC000683395974 654775099 /nfs/dbraw/zinc/77/50/99/654775099.db2.gz BLSXMOVRYSSAPU-UHFFFAOYSA-N 1 0 391.269 1.814 20 0 GDADRO O=C(c1cc[nH]c(=O)c1Br)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000683618298 654780022 /nfs/dbraw/zinc/78/00/22/654780022.db2.gz WBFZGLNFVJMGTB-GFCCVEGCSA-N 1 0 384.274 1.877 20 0 GDADRO O=C(c1cc[nH]c(=O)c1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000683626080 654780934 /nfs/dbraw/zinc/78/09/34/654780934.db2.gz UEBNPUSHXLGLEK-LBPRGKRZSA-N 1 0 384.274 1.877 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)CCNC(=O)c1cc(F)ccc1Br)C2 ZINC000683909125 654787290 /nfs/dbraw/zinc/78/72/90/654787290.db2.gz MTSRAMLGJSEWLK-UHFFFAOYSA-N 1 0 398.276 1.872 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2csc(Cl)n2)C1 ZINC000781217031 654802123 /nfs/dbraw/zinc/80/21/23/654802123.db2.gz BDBYRPBYXXSLEE-LLVKDONJSA-N 1 0 375.878 1.426 20 0 GDADRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677589 654804316 /nfs/dbraw/zinc/80/43/16/654804316.db2.gz BCJMZODGZIWIOD-BXKDBHETSA-N 1 0 377.304 1.908 20 0 GDADRO C[C@@H]([NH2+]CCCn1cncn1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684678386 654804299 /nfs/dbraw/zinc/80/42/99/654804299.db2.gz LDYIOMXCLCZULR-SNVBAGLBSA-N 1 0 388.291 1.429 20 0 GDADRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677592 654804307 /nfs/dbraw/zinc/80/43/07/654804307.db2.gz BCJMZODGZIWIOD-CABZTGNLSA-N 1 0 377.304 1.908 20 0 GDADRO COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000781918475 654820445 /nfs/dbraw/zinc/82/04/45/654820445.db2.gz WMINJESPCFAIGO-ZDUSSCGKSA-N 1 0 378.516 1.160 20 0 GDADRO CN(CCC[NH2+]Cc1cn2ccc(Br)cc2n1)S(C)(=O)=O ZINC000685612796 654823148 /nfs/dbraw/zinc/82/31/48/654823148.db2.gz DMRGYEATFGAQAZ-UHFFFAOYSA-N 1 0 375.292 1.468 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000782173397 654825733 /nfs/dbraw/zinc/82/57/33/654825733.db2.gz FXXSRKWEAGHDAP-MRXNPFEDSA-N 1 0 381.274 1.677 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749323722 654828717 /nfs/dbraw/zinc/82/87/17/654828717.db2.gz PHVPCOGPERATRL-OCCSQVGLSA-N 1 0 391.273 1.781 20 0 GDADRO O=S1(=O)C[C@@H]([NH2+]CCc2ccc(F)cc2Cl)[C@H](N2CCOCC2)C1 ZINC000685841574 654829254 /nfs/dbraw/zinc/82/92/54/654829254.db2.gz XKDHIEMLURJGHT-HZPDHXFCSA-N 1 0 376.881 1.109 20 0 GDADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000685889901 654830357 /nfs/dbraw/zinc/83/03/57/654830357.db2.gz XFADVDXTNVVPNU-ZDUSSCGKSA-N 1 0 389.543 1.228 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000749389292 654832169 /nfs/dbraw/zinc/83/21/69/654832169.db2.gz DMDWAJGQXKXOFO-NSHDSACASA-N 1 0 379.262 1.449 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc(I)cc2)CC1 ZINC000710571721 654834817 /nfs/dbraw/zinc/83/48/17/654834817.db2.gz VTTOQRMYIPQGJY-UHFFFAOYSA-N 1 0 388.249 1.820 20 0 GDADRO CO[C@]1(C[NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CCS(=O)(=O)C1 ZINC000721257781 654838385 /nfs/dbraw/zinc/83/83/85/654838385.db2.gz WURPGEZEJXOVPL-CPUCHLNUSA-N 1 0 376.519 1.568 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC[NH2+]C[C@H]2CCSC2)C1 ZINC000721714025 654838907 /nfs/dbraw/zinc/83/89/07/654838907.db2.gz CNRXUXKJKJFKCH-KGLIPLIRSA-N 1 0 378.560 1.753 20 0 GDADRO CCC[C@H](C[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)OC ZINC000721742938 654839239 /nfs/dbraw/zinc/83/92/39/654839239.db2.gz ATWBDJFWMXTYMS-HUUCEWRRSA-N 1 0 378.535 1.815 20 0 GDADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000721903540 654840174 /nfs/dbraw/zinc/84/01/74/654840174.db2.gz JYIPAKVCFZPIEC-GJZGRUSLSA-N 1 0 375.535 1.695 20 0 GDADRO CCN(CCC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000724040591 654840844 /nfs/dbraw/zinc/84/08/44/654840844.db2.gz NMVNDRQNDPTDRP-LSDHHAIUSA-N 1 0 377.551 1.941 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=S)NCCC[NH+]2CCCCCC2)cc1 ZINC000726448659 654852674 /nfs/dbraw/zinc/85/26/74/654852674.db2.gz IIDALAQBPMVSTD-UHFFFAOYSA-N 1 0 384.571 1.564 20 0 GDADRO Cc1cc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cnc1Br ZINC000783113173 654853011 /nfs/dbraw/zinc/85/30/11/654853011.db2.gz QQFLDERPPQIPLK-LBPRGKRZSA-N 1 0 398.305 1.861 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000783307870 654856789 /nfs/dbraw/zinc/85/67/89/654856789.db2.gz ANXNGKDPRKDETM-BBRMVZONSA-N 1 0 388.511 1.756 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000783537403 654861985 /nfs/dbraw/zinc/86/19/85/654861985.db2.gz SLLMYKSASTXIIO-RWMBFGLXSA-N 1 0 378.516 1.222 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=S)NCCNS(C)(=O)=O ZINC000727083921 654866721 /nfs/dbraw/zinc/86/67/21/654866721.db2.gz FPMPDPBPKRMBAW-UHFFFAOYSA-N 1 0 392.978 1.127 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000750997939 654867312 /nfs/dbraw/zinc/86/73/12/654867312.db2.gz GOYFPYWNDPYMBC-CYBMUJFWSA-N 1 0 389.543 1.965 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000783962790 654874696 /nfs/dbraw/zinc/87/46/96/654874696.db2.gz ZMRHQEPYBZIDMK-NWDGAFQWSA-N 1 0 382.251 1.105 20 0 GDADRO CN(C(=O)c1ccc(Br)c(S(N)(=O)=O)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000828680005 654877347 /nfs/dbraw/zinc/87/73/47/654877347.db2.gz QGVZGTHVXPNDPP-LLVKDONJSA-N 1 0 390.303 1.263 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000751399507 654886567 /nfs/dbraw/zinc/88/65/67/654886567.db2.gz DCRAKFQDMMUTQH-UHFFFAOYSA-N 1 0 385.877 1.259 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000751429919 654889351 /nfs/dbraw/zinc/88/93/51/654889351.db2.gz OJDUWKDSDMPYAC-LBPRGKRZSA-N 1 0 387.889 1.628 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784511096 654890431 /nfs/dbraw/zinc/89/04/31/654890431.db2.gz MLYJWGBBWJBPTP-ZNMIVQPWSA-N 1 0 375.535 1.551 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)C1 ZINC000751462314 654893486 /nfs/dbraw/zinc/89/34/86/654893486.db2.gz JKRRQZVXQPBMNQ-LBPRGKRZSA-N 1 0 389.905 1.874 20 0 GDADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=S)NCCS(C)(=O)=O)C1 ZINC000729153629 654902483 /nfs/dbraw/zinc/90/24/83/654902483.db2.gz DUXXACUWPXNAFH-OAHLLOKOSA-N 1 0 383.583 1.927 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000784987431 654903336 /nfs/dbraw/zinc/90/33/36/654903336.db2.gz YZKRTRABLSATCY-WCQYABFASA-N 1 0 383.290 1.890 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000801137276 654909654 /nfs/dbraw/zinc/90/96/54/654909654.db2.gz BQAIXTCHHAJTCN-UHFFFAOYSA-N 1 0 393.289 1.890 20 0 GDADRO COC1(C(=O)Nc2ccc(C[NH+](C)C)c(C(F)(F)F)c2)CS(=O)(=O)C1 ZINC000829733230 654911529 /nfs/dbraw/zinc/91/15/29/654911529.db2.gz KEFNVOIYFAKJRF-UHFFFAOYSA-N 1 0 380.388 1.519 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN1CCO[C@@H](C)C1 ZINC000729682892 654914050 /nfs/dbraw/zinc/91/40/50/654914050.db2.gz GXNWMYIDLZIKGK-GXTWGEPZSA-N 1 0 390.937 1.015 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000785319186 654914255 /nfs/dbraw/zinc/91/42/55/654914255.db2.gz AHZFRVPHZSJBQN-NSHDSACASA-N 1 0 381.274 1.858 20 0 GDADRO C[C@]1(C2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)NC(=O)NC1=O ZINC000752002697 654916325 /nfs/dbraw/zinc/91/63/25/654916325.db2.gz OTAIZAQMYCDTAI-RHSMWYFYSA-N 1 0 396.285 1.793 20 0 GDADRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3c[nH]nc3Cl)cn2)CC1 ZINC000830013829 654925116 /nfs/dbraw/zinc/92/51/16/654925116.db2.gz ONWIHWRNJZBDHY-UHFFFAOYSA-N 1 0 384.893 1.079 20 0 GDADRO C[C@@]1(C2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)NC(=O)NC1=O ZINC000752302168 654925642 /nfs/dbraw/zinc/92/56/42/654925642.db2.gz MNSXRIBXLUJRSS-YOEHRIQHSA-N 1 0 396.285 1.793 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000801587255 654928185 /nfs/dbraw/zinc/92/81/85/654928185.db2.gz JLKZVPKHQHCOFN-CQSZACIVSA-N 1 0 377.551 1.893 20 0 GDADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000752481488 654929166 /nfs/dbraw/zinc/92/91/66/654929166.db2.gz NXFFGTFCSYDTCV-RHSMWYFYSA-N 1 0 397.317 1.711 20 0 GDADRO CO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000830085862 654929411 /nfs/dbraw/zinc/92/94/11/654929411.db2.gz NIMZOEYPSUQYDK-MPKXVKKWSA-N 1 0 380.666 1.846 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000801932077 654935951 /nfs/dbraw/zinc/93/59/51/654935951.db2.gz GNIYQCBCGGKZEE-LSDHHAIUSA-N 1 0 375.535 1.777 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000753160132 654944118 /nfs/dbraw/zinc/94/41/18/654944118.db2.gz BGHKTGIGOWPXMB-HUUCEWRRSA-N 1 0 377.551 1.941 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c(Cl)cn1 ZINC000830588408 654950559 /nfs/dbraw/zinc/95/05/59/654950559.db2.gz JLDLPXGEKJYKFY-LBPRGKRZSA-N 1 0 389.905 1.105 20 0 GDADRO O=S(=O)(NC1CC[NH+](CCO)CC1)c1cnc(Cl)c(Br)c1 ZINC000830627665 654952042 /nfs/dbraw/zinc/95/20/42/654952042.db2.gz MGJBRHBYUUHHJE-UHFFFAOYSA-N 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C[C@@H]1CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C[C@@H](C)S1=O ZINC000846001642 655442944 /nfs/dbraw/zinc/44/29/44/655442944.db2.gz JRYQGYOBBKDFSS-MGPQQGTHSA-N 1 0 375.535 1.199 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)Br ZINC000846146273 655448822 /nfs/dbraw/zinc/44/88/22/655448822.db2.gz MKFAHJAXGKPYNO-SECBINFHSA-N 1 0 388.253 1.935 20 0 GDADRO [NH3+]CCC1CCN(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000846155483 655448934 /nfs/dbraw/zinc/44/89/34/655448934.db2.gz QMLRCBHCGQPJQA-UHFFFAOYSA-N 1 0 386.440 1.071 20 0 GDADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1c(Br)nnn1C ZINC000846174275 655449147 /nfs/dbraw/zinc/44/91/47/655449147.db2.gz MQWMWHAMPFPZAR-UHFFFAOYSA-N 1 0 381.278 1.567 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000846230796 655450222 /nfs/dbraw/zinc/45/02/22/655450222.db2.gz JBBCGQWVUTWMRJ-GHMZBOCLSA-N 1 0 375.878 1.660 20 0 GDADRO C[NH+]1CCC(n2ccc(NC(=O)NCC[S@@](=O)CC(F)(F)F)n2)CC1 ZINC000823054154 655455868 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COCC[N@H+](C)C[C@@H](O)CN1CCO[C@@H](c2ccccc2Br)C1 ZINC000846792237 655460955 /nfs/dbraw/zinc/46/09/55/655460955.db2.gz MNVRLXXHFAKRPY-RHSMWYFYSA-N 1 0 387.318 1.762 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN(C)C[C@@H](O)c1ccccc1Br ZINC000846985281 655464106 /nfs/dbraw/zinc/46/41/06/655464106.db2.gz RYJJUYNMESPWAC-CZUORRHYSA-N 1 0 375.307 1.353 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1nc(Br)c2ccccn21 ZINC000823567166 655465020 /nfs/dbraw/zinc/46/50/20/655465020.db2.gz PABGJNTTYOSMEB-LLVKDONJSA-N 1 0 394.273 1.289 20 0 GDADRO NC(=O)[C@@]1([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCOC1 ZINC000847051404 655465105 /nfs/dbraw/zinc/46/51/05/655465105.db2.gz GXVBKUIBADGKGK-IINYFYTJSA-N 1 0 393.665 1.076 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823818817 655468593 /nfs/dbraw/zinc/46/85/93/655468593.db2.gz UVZPVBWYGDHJJH-HUUCEWRRSA-N 1 0 377.551 1.939 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)c2nc(F)ccc2Br)CC1 ZINC000847491429 655470323 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381.274 1.671 20 0 GDADRO O=C(c1cnc(F)c(Br)c1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000848210540 655484660 /nfs/dbraw/zinc/48/46/60/655484660.db2.gz URZBLPCZHSNBML-LBPRGKRZSA-N 1 0 399.264 1.410 20 0 GDADRO Cn1cc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)c(=O)n(C)c1=O ZINC000825305255 655487692 /nfs/dbraw/zinc/48/76/92/655487692.db2.gz FUUZNPQTMZOSCV-CQSZACIVSA-N 1 0 382.258 1.012 20 0 GDADRO C[NH+]1CCN(C[C@@H](NC(=O)c2cc(Br)n[nH]2)c2ccccc2)CC1 ZINC000825737963 655493193 /nfs/dbraw/zinc/49/31/93/655493193.db2.gz HMXVGHKCPMQDDY-OAHLLOKOSA-N 1 0 392.301 1.891 20 0 GDADRO [NH3+]CC[C@H](NC(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)C(F)(F)F ZINC000848594737 655497098 /nfs/dbraw/zinc/49/70/98/655497098.db2.gz GQJHWFCMQGGVCK-IUCAKERBSA-N 1 0 378.317 1.366 20 0 GDADRO O=C1O[C@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CN1C1CC1 ZINC000848678328 655498704 /nfs/dbraw/zinc/49/87/04/655498704.db2.gz KZSDMVXQHGKEDY-UKRRQHHQSA-N 1 0 385.258 1.762 20 0 GDADRO O=C(c1ccc2c(Br)cnn2c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000826563825 655498856 /nfs/dbraw/zinc/49/88/56/655498856.db2.gz IVNQCCLKAPTXMU-CQSZACIVSA-N 1 0 393.285 1.768 20 0 GDADRO COC(=O)c1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(C)o1 ZINC000848896753 655502024 /nfs/dbraw/zinc/50/20/24/655502024.db2.gz IOEHKQXEZQRLMA-UHFFFAOYSA-N 1 0 380.413 1.729 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)sc1S(N)(=O)=O ZINC000827267280 655508385 /nfs/dbraw/zinc/50/83/85/655508385.db2.gz MGGIYPVRWROXRE-UWVGGRQHSA-N 1 0 377.919 1.524 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1Cl ZINC000827367073 655509774 /nfs/dbraw/zinc/50/97/74/655509774.db2.gz QNNRUHDYIIRAFF-HIFRSBDPSA-N 1 0 385.917 1.757 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1Cl ZINC000827367072 655509815 /nfs/dbraw/zinc/50/98/15/655509815.db2.gz QNNRUHDYIIRAFF-DZGCQCFKSA-N 1 0 385.917 1.757 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827367468 655509964 /nfs/dbraw/zinc/50/99/64/655509964.db2.gz WEEDQLHSJVIPPI-HEHGZKQESA-N 1 0 385.917 1.559 20 0 GDADRO Cn1nc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1Br ZINC000827530840 655512745 /nfs/dbraw/zinc/51/27/45/655512745.db2.gz QRZDXPMRVAJDIP-UHFFFAOYSA-N 1 0 382.262 1.448 20 0 GDADRO C[C@@H](CNC(=O)[C@]1(C)CC1(Br)Br)N1CC[NH+](C)CC1 ZINC000827580726 655513412 /nfs/dbraw/zinc/51/34/12/655513412.db2.gz VSGRGAUGGKRAJJ-JQWIXIFHSA-N 1 0 397.155 1.635 20 0 GDADRO COC[C@@H](C)NC(=[NH2+])NCC(=O)Nc1ccc(I)cc1 ZINC000849002387 655517088 /nfs/dbraw/zinc/51/70/88/655517088.db2.gz JKXRXJGYNHGNNN-SECBINFHSA-N 1 0 390.225 1.379 20 0 GDADRO CCOCCCNC(=[NH2+])NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000849056040 655517152 /nfs/dbraw/zinc/51/71/52/655517152.db2.gz QWDYXPISFQYNBR-UHFFFAOYSA-N 1 0 376.548 1.819 20 0 GDADRO CC(C)(C)OC(=O)N1CCC(CCC[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000828099270 655519175 /nfs/dbraw/zinc/51/91/75/655519175.db2.gz RKTZOGSZRFZBIV-OAHLLOKOSA-N 1 0 375.535 1.777 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000849189457 655520400 /nfs/dbraw/zinc/52/04/00/655520400.db2.gz MRDHWGSYBWSVPY-LBPRGKRZSA-N 1 0 389.905 1.074 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000849411463 655529160 /nfs/dbraw/zinc/52/91/60/655529160.db2.gz JVJNUVOFRCOHQF-LBPRGKRZSA-N 1 0 392.518 1.628 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc(F)c1F ZINC000849420763 655531752 /nfs/dbraw/zinc/53/17/52/655531752.db2.gz YHYHJHGXTDJFAJ-JTQLQIEISA-N 1 0 376.425 1.903 20 0 GDADRO CN(CC(F)(F)Br)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849593784 655542582 /nfs/dbraw/zinc/54/25/82/655542582.db2.gz RQAOJJHHBCORSE-NWDGAFQWSA-N 1 0 379.249 1.902 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)CC[C@H]2CC2(Cl)Cl)C1 ZINC000849874182 655548110 /nfs/dbraw/zinc/54/81/10/655548110.db2.gz PVLFNIYDPWGITJ-UONOGXRCSA-N 1 0 395.327 1.977 20 0 GDADRO COC[C@H](CC1CCOCC1)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000850441251 655555184 /nfs/dbraw/zinc/55/51/84/655555184.db2.gz SNLONZNBIRCAOD-AWEZNQCLSA-N 1 0 388.452 1.722 20 0 GDADRO COC[C@H](CC1CCOCC1)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000850443646 655555208 /nfs/dbraw/zinc/55/52/08/655555208.db2.gz RTYOAESKYNKTMQ-HNNXBMFYSA-N 1 0 384.489 1.672 20 0 GDADRO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000850510820 655556996 /nfs/dbraw/zinc/55/69/96/655556996.db2.gz YDCTULZQCDRVTC-MLGOLLRUSA-N 1 0 379.425 1.502 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C1(CO)CC1 ZINC000850515966 655557115 /nfs/dbraw/zinc/55/71/15/655557115.db2.gz JCRUTETVYOCJSM-QWHCGFSZSA-N 1 0 390.527 1.224 20 0 GDADRO COc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cnc1Cl ZINC000850590212 655559324 /nfs/dbraw/zinc/55/93/24/655559324.db2.gz ZEEZXLSSPBTHFR-SCRDCRAPSA-N 1 0 389.905 1.651 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000850589138 655559348 /nfs/dbraw/zinc/55/93/48/655559348.db2.gz NGBWZLRFMAXPKU-UHFFFAOYSA-N 1 0 393.303 1.984 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)c(Cl)cc1Cl ZINC000850591055 655559458 /nfs/dbraw/zinc/55/94/58/655559458.db2.gz JCANDNGMEZBZPX-UHFFFAOYSA-N 1 0 379.265 1.892 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000850592609 655559736 /nfs/dbraw/zinc/55/97/36/655559736.db2.gz VHYAWSUDCLXHTJ-GFCCVEGCSA-N 1 0 387.527 1.600 20 0 GDADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCn4ncc(Br)c4C3)cc2C1 ZINC000850753488 655567618 /nfs/dbraw/zinc/56/76/18/655567618.db2.gz FYMSAVCTYCEAAO-LLVKDONJSA-N 1 0 391.273 1.904 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850824227 655568993 /nfs/dbraw/zinc/56/89/93/655568993.db2.gz VSQYIEDUVQEZQR-IUCAKERBSA-N 1 0 382.877 1.331 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CCCC1 ZINC000850842553 655569832 /nfs/dbraw/zinc/56/98/32/655569832.db2.gz ZCTFVOMTIFPWQB-UHFFFAOYSA-N 1 0 375.397 1.009 20 0 GDADRO O=C(N1CCn2ncc(Br)c2C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000851648119 655589592 /nfs/dbraw/zinc/58/95/92/655589592.db2.gz SAGWCQUBTGSPRG-KRWDZBQOSA-N 1 0 375.270 1.919 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000851720624 655592646 /nfs/dbraw/zinc/59/26/46/655592646.db2.gz OVLIKAQQSGIERV-IUODEOHRSA-N 1 0 394.430 1.911 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)nc1Cl ZINC000851881305 655601982 /nfs/dbraw/zinc/60/19/82/655601982.db2.gz YKNXDJHLALZNQM-LBPRGKRZSA-N 1 0 376.910 1.337 20 0 GDADRO CC[C@H]([NH2+]CCn1cnc(Br)n1)c1cccc(S(N)(=O)=O)c1 ZINC000851902647 655603783 /nfs/dbraw/zinc/60/37/83/655603783.db2.gz RIEYXYWDMOHSAD-LBPRGKRZSA-N 1 0 388.291 1.429 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000851980652 655604929 /nfs/dbraw/zinc/60/49/29/655604929.db2.gz IYGWIWBWEGSCGN-ZDUSSCGKSA-N 1 0 387.468 1.917 20 0 GDADRO COC1CC[NH+](C(C)(C)CNC(=O)NCC[S@](=O)CC(F)(F)F)CC1 ZINC000852077805 655607255 /nfs/dbraw/zinc/60/72/55/655607255.db2.gz DSMQZXZPFYTDJN-VWLOTQADSA-N 1 0 387.468 1.486 20 0 GDADRO C[C@H]1CCC[C@](CNC(=O)NCCS(=O)(=O)CC(F)(F)F)([NH+](C)C)C1 ZINC000852187016 655609765 /nfs/dbraw/zinc/60/97/65/655609765.db2.gz JTZVDVLTYQKREE-JSGCOSHPSA-N 1 0 387.468 1.773 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)CN2CCn3ncc(Br)c3C2)CC1 ZINC000852626411 655619115 /nfs/dbraw/zinc/61/91/15/655619115.db2.gz JHXWZHOHEMMFBU-UHFFFAOYSA-N 1 0 384.322 1.450 20 0 GDADRO CN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H](C[NH3+])C(F)(F)F ZINC000852761989 655622227 /nfs/dbraw/zinc/62/22/27/655622227.db2.gz DUHQOZSFLNGWIC-SNVBAGLBSA-N 1 0 389.346 1.443 20 0 GDADRO C[C@@H](NC(=O)C1=NO[C@H](C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000852817947 655623374 /nfs/dbraw/zinc/62/33/74/655623374.db2.gz MFDQRGHMEJUQBS-BDAKNGLRSA-N 1 0 384.230 1.501 20 0 GDADRO C[C@@H](C(=O)N1CCC(n2nncc2I)CC1)[C@H](C)[NH3+] ZINC000852861424 655624391 /nfs/dbraw/zinc/62/43/91/655624391.db2.gz VFYSHACGVMPGEK-BDAKNGLRSA-N 1 0 377.230 1.030 20 0 GDADRO O=C([C@H]1CSCCS1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852931133 655628760 /nfs/dbraw/zinc/62/87/60/655628760.db2.gz UOSYTAVTSSIXSV-UKRRQHHQSA-N 1 0 381.571 1.374 20 0 GDADRO C[C@]1(NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)CC[NH2+]C1 ZINC000853081501 655632280 /nfs/dbraw/zinc/63/22/80/655632280.db2.gz RTURUZLXMWFRBL-LBPRGKRZSA-N 1 0 393.694 1.781 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)Cc1ccccc1 ZINC000853236072 655637175 /nfs/dbraw/zinc/63/71/75/655637175.db2.gz QCYLOIJSRPQKDL-HWRSSNJWSA-N 1 0 379.448 1.770 20 0 GDADRO C[C@H](CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[NH+](C)C ZINC000853721447 655648381 /nfs/dbraw/zinc/64/83/81/655648381.db2.gz DQNKPZPDVZKORQ-LLVKDONJSA-N 1 0 388.456 1.187 20 0 GDADRO C[C@H](NCC1([NH3+])CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000854222237 655658797 /nfs/dbraw/zinc/65/87/97/655658797.db2.gz CRCPMZXYTGEBIM-ZDUSSCGKSA-N 1 0 389.543 1.334 20 0 GDADRO Cn1nc(Br)cc1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000854588500 655670513 /nfs/dbraw/zinc/67/05/13/655670513.db2.gz BYUHLAFZKSLULG-UHFFFAOYSA-N 1 0 393.289 1.728 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)c3sc(N4CCCC4)nc3Cl)C2)CC1 ZINC000854642586 655673286 /nfs/dbraw/zinc/67/32/86/655673286.db2.gz MVRSTFIRPMCQQJ-UHFFFAOYSA-N 1 0 383.949 1.716 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)C2)CC1 ZINC000854643945 655673296 /nfs/dbraw/zinc/67/32/96/655673296.db2.gz BMJBXMGNFIXZLE-KRWDZBQOSA-N 1 0 394.313 1.458 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)NS(=O)(=O)c1cccnc1Cl ZINC000854654223 655673494 /nfs/dbraw/zinc/67/34/94/655673494.db2.gz KDWKTTLHWRRZLJ-UPJWGTAASA-N 1 0 388.921 1.343 20 0 GDADRO CNS(=O)(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000856745490 655716521 /nfs/dbraw/zinc/71/65/21/655716521.db2.gz GHVCUMRJZGCJKU-LSDHHAIUSA-N 1 0 375.535 1.505 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000856946047 655723020 /nfs/dbraw/zinc/72/30/20/655723020.db2.gz AYEPNVBCXJYTDX-CYBMUJFWSA-N 1 0 379.332 1.766 20 0 GDADRO O=C(c1ccc(Br)cc1-n1cnnn1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000857004621 655725361 /nfs/dbraw/zinc/72/53/61/655725361.db2.gz RXCJZMDPEMTVQM-INIZCTEOSA-N 1 0 391.273 1.641 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c(Br)nc4n3CCOC4)CC[C@H]21 ZINC000857155535 655729470 /nfs/dbraw/zinc/72/94/70/655729470.db2.gz UKWMESPLEDMQJL-NWDGAFQWSA-N 1 0 383.290 1.732 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c(Cl)s1 ZINC000857235344 655731709 /nfs/dbraw/zinc/73/17/09/655731709.db2.gz QSBAQQNHXVPYOP-UFBFGSQYSA-N 1 0 384.932 1.307 20 0 GDADRO O=C(c1cc(Br)cnc1F)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000858195926 655745504 /nfs/dbraw/zinc/74/55/04/655745504.db2.gz GIKMCYLKPSVTCA-UHFFFAOYSA-N 1 0 385.281 1.837 20 0 GDADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000858498554 655748722 /nfs/dbraw/zinc/74/87/22/655748722.db2.gz QWTJLBURXLUTLV-YNEHKIRRSA-N 1 0 388.921 1.902 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000858606603 655749984 /nfs/dbraw/zinc/74/99/84/655749984.db2.gz FUVHSDUAXPZWBX-MNOVXSKESA-N 1 0 379.404 1.854 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c1)C(F)(F)F ZINC000858616030 655750630 /nfs/dbraw/zinc/75/06/30/655750630.db2.gz XVHAGMLNBAVFRR-UHFFFAOYSA-N 1 0 377.388 1.704 20 0 GDADRO OCc1cc(N2CCC(n3nncc3I)CC2)cc[nH+]1 ZINC000858628644 655751149 /nfs/dbraw/zinc/75/11/49/655751149.db2.gz WUWSFJPJFMPPMB-UHFFFAOYSA-N 1 0 385.209 1.612 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])c(F)cc1Br ZINC000858642260 655751930 /nfs/dbraw/zinc/75/19/30/655751930.db2.gz JKTUHUBRJVCMBX-SSDOTTSWSA-N 1 0 383.239 1.343 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(Br)nc3F)C2)C1 ZINC000859167772 655767174 /nfs/dbraw/zinc/76/71/74/655767174.db2.gz CSPIWIAISRAWNH-ZDUSSCGKSA-N 1 0 378.267 1.700 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000859229053 655770522 /nfs/dbraw/zinc/77/05/22/655770522.db2.gz WPFLGPYOBDBYQA-GFCCVEGCSA-N 1 0 379.404 1.950 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2cnc(Br)cn2)cc1 ZINC000859384731 655780185 /nfs/dbraw/zinc/78/01/85/655780185.db2.gz FGNSXXMJXGMFOI-UHFFFAOYSA-N 1 0 385.287 1.779 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(Br)cnc3F)CC2)C1 ZINC000859410832 655782069 /nfs/dbraw/zinc/78/20/69/655782069.db2.gz FYUGPGQSQBJUFD-CYBMUJFWSA-N 1 0 385.281 1.835 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)CCO1 ZINC000859572626 655787446 /nfs/dbraw/zinc/78/74/46/655787446.db2.gz SDFQLTOBCTWWEJ-FZKQIMNGSA-N 1 0 397.313 1.506 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000860196949 655796384 /nfs/dbraw/zinc/79/63/84/655796384.db2.gz NDGYUIQJDJBCPO-DOMZBBRYSA-N 1 0 391.331 1.744 20 0 GDADRO Cc1nc(Cl)ccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000861515718 655824316 /nfs/dbraw/zinc/82/43/16/655824316.db2.gz KSPOUQBIODLRFS-VHSXEESVSA-N 1 0 378.782 1.968 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c(C)cc1Br ZINC000861545348 655825844 /nfs/dbraw/zinc/82/58/44/655825844.db2.gz WNWVPDBOKAXUOW-SECBINFHSA-N 1 0 386.246 1.288 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000861633162 655827366 /nfs/dbraw/zinc/82/73/66/655827366.db2.gz ZVIGZGSYCXUNEF-SECBINFHSA-N 1 0 383.301 1.260 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000862032064 655837099 /nfs/dbraw/zinc/83/70/99/655837099.db2.gz NESZBWBSACLGGU-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cccnc1Br ZINC000862091706 655838408 /nfs/dbraw/zinc/83/84/08/655838408.db2.gz MPIMRQOYFPPIRQ-LBPRGKRZSA-N 1 0 381.274 1.916 20 0 GDADRO CN(CCC[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000862269038 655843723 /nfs/dbraw/zinc/84/37/23/655843723.db2.gz BHWRHQIMOPGPOU-GFCCVEGCSA-N 1 0 385.477 1.502 20 0 GDADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862413871 655846038 /nfs/dbraw/zinc/84/60/38/655846038.db2.gz FJAJPLQWQIXSLX-BARDWOONSA-N 1 0 376.519 1.566 20 0 GDADRO CN(CCOCC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000862485781 655846822 /nfs/dbraw/zinc/84/68/22/655846822.db2.gz RAXJZYZAINAESK-HUUCEWRRSA-N 1 0 378.535 1.815 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000863034263 655860616 /nfs/dbraw/zinc/86/06/16/655860616.db2.gz IHMUONHWMDQPOQ-LLVKDONJSA-N 1 0 389.880 1.873 20 0 GDADRO C[NH+](C)CCNC(=S)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000863244219 655863943 /nfs/dbraw/zinc/86/39/43/655863943.db2.gz CYTFJOFBFVSLKX-LOWDOPEQSA-N 1 0 378.464 1.154 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1Br ZINC000863449959 655873519 /nfs/dbraw/zinc/87/35/19/655873519.db2.gz BXYQBWBLJFWKBV-NHAGDIPZSA-N 1 0 387.299 1.832 20 0 GDADRO CCC1([NH+]2CCOCC2)CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000863492713 655874380 /nfs/dbraw/zinc/87/43/80/655874380.db2.gz HCUVFKPRJSVCGV-HNNXBMFYSA-N 1 0 390.571 1.010 20 0 GDADRO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000863565633 655875680 /nfs/dbraw/zinc/87/56/80/655875680.db2.gz PHMRMVBBYAVXOM-CQSZACIVSA-N 1 0 377.388 1.666 20 0 GDADRO C[C@@H]([NH3+])CN(C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000863567246 655876003 /nfs/dbraw/zinc/87/60/03/655876003.db2.gz UOMWPTNPXPDOGH-GHMZBOCLSA-N 1 0 376.910 1.196 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000863753913 655879886 /nfs/dbraw/zinc/87/98/86/655879886.db2.gz LGWNUUBOQAJQNR-BXUZGUMPSA-N 1 0 384.274 1.155 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000863768006 655880557 /nfs/dbraw/zinc/88/05/57/655880557.db2.gz YQYHKVRJPRRVBF-VIFPVBQESA-N 1 0 388.693 1.793 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000864058742 655888196 /nfs/dbraw/zinc/88/81/96/655888196.db2.gz XDMNSCQVSVEPRO-IUCAKERBSA-N 1 0 398.227 1.851 20 0 GDADRO CC[N@H+]1[C@H](C)CN(C(=O)c2c(C)[nH]nc2I)C[C@@H]1C ZINC000864084993 655889951 /nfs/dbraw/zinc/88/99/51/655889951.db2.gz ZDDUTINTQCMIMB-DTORHVGOSA-N 1 0 376.242 1.877 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(I)nn1C ZINC000864860451 655907195 /nfs/dbraw/zinc/90/71/95/655907195.db2.gz LCMPWZFUVVEGQC-JTQLQIEISA-N 1 0 376.242 1.629 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(I)nn2C)C1 ZINC000865046436 655910605 /nfs/dbraw/zinc/91/06/05/655910605.db2.gz JJSHSRNNDQJYFV-NSHDSACASA-N 1 0 390.269 1.875 20 0 GDADRO C[NH+]1CCC(CNC(=S)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC1 ZINC000865257567 655915473 /nfs/dbraw/zinc/91/54/73/655915473.db2.gz BTDNCQMVQYNSHM-HZPDHXFCSA-N 1 0 388.603 1.185 20 0 GDADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)CC(F)F ZINC000865410036 655919386 /nfs/dbraw/zinc/91/93/86/655919386.db2.gz FTWCTJHCCJHJTQ-LBPRGKRZSA-N 1 0 385.477 1.549 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc(CO)c(Br)n2)CC1 ZINC000865508985 655920882 /nfs/dbraw/zinc/92/08/82/655920882.db2.gz NOHVTBPLZPAXRF-UHFFFAOYSA-N 1 0 383.290 1.081 20 0 GDADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)CC(F)F ZINC000865510449 655921008 /nfs/dbraw/zinc/92/10/08/655921008.db2.gz UZIDAKHJZPQJRM-RYUDHWBXSA-N 1 0 385.477 1.406 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+]CCn2cc(Br)cn2)ccc1Cl ZINC000865566814 655922007 /nfs/dbraw/zinc/92/20/07/655922007.db2.gz QWEMDPHAHNPQIQ-UHFFFAOYSA-N 1 0 393.694 1.736 20 0 GDADRO O=C1OC[C@]2(C[NH2+]Cc3cc(Br)c4c(c3)OCCO4)COCCN12 ZINC000865769081 655926106 /nfs/dbraw/zinc/92/61/06/655926106.db2.gz TUTUWVLDKZHCLS-INIZCTEOSA-N 1 0 399.241 1.531 20 0 GDADRO CC(C)(C[NH2+]Cc1cnc2ccc(Br)cn12)CS(N)(=O)=O ZINC000865813266 655927480 /nfs/dbraw/zinc/92/74/80/655927480.db2.gz MEHCRAFYTHWIGU-UHFFFAOYSA-N 1 0 375.292 1.501 20 0 GDADRO Cn1c(C[NH2+]CC(C)(C)CS(N)(=O)=O)nc2cc(C(F)(F)F)ccc21 ZINC000865813620 655927523 /nfs/dbraw/zinc/92/75/23/655927523.db2.gz YRVGYUSGHXBOBV-UHFFFAOYSA-N 1 0 378.420 1.996 20 0 GDADRO CC(C)(C[NH2+]Cc1c(Cl)cccc1N1CCOCC1)CS(N)(=O)=O ZINC000865813269 655927551 /nfs/dbraw/zinc/92/75/51/655927551.db2.gz MFDPHPUFCUPWCE-UHFFFAOYSA-N 1 0 375.922 1.581 20 0 GDADRO CC(=O)N[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000866222532 655936472 /nfs/dbraw/zinc/93/64/72/655936472.db2.gz IMYBRYYACDLVDB-HNNXBMFYSA-N 1 0 398.301 1.199 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(Br)cc2)CC1 ZINC000866374861 655938769 /nfs/dbraw/zinc/93/87/69/655938769.db2.gz OYQHUDLGJYYOIJ-UHFFFAOYSA-N 1 0 377.304 1.795 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866394450 655939751 /nfs/dbraw/zinc/93/97/51/655939751.db2.gz UPOYFBNKSYJWJQ-NSHDSACASA-N 1 0 379.404 1.950 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c1C(F)(F)F ZINC000866428372 655942412 /nfs/dbraw/zinc/94/24/12/655942412.db2.gz YODDICADRRPDPT-UHFFFAOYSA-N 1 0 375.376 1.345 20 0 GDADRO O=C1COC[C@]2(C[NH2+][C@@H]3CCc4cc(Br)ccc43)COCCN12 ZINC000866555289 655949458 /nfs/dbraw/zinc/94/94/58/655949458.db2.gz LKOVOAFESZBQNS-WBVHZDCISA-N 1 0 381.270 1.654 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cnn(C)c1Br)C[NH+]1CCCCC1 ZINC000866557262 655949619 /nfs/dbraw/zinc/94/96/19/655949619.db2.gz KQZZTFVCGIXKEF-LLVKDONJSA-N 1 0 379.324 1.583 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000866573157 655950035 /nfs/dbraw/zinc/95/00/35/655950035.db2.gz UDYAHQCTBBGUEM-OAHLLOKOSA-N 1 0 375.535 1.791 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000866669208 655952874 /nfs/dbraw/zinc/95/28/74/655952874.db2.gz UNLQICFETVMMCR-CABCVRRESA-N 1 0 399.264 1.740 20 0 GDADRO [NH3+][C@@H]1CCCCCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000866670760 655952976 /nfs/dbraw/zinc/95/29/76/655952976.db2.gz UOEYGRLQPCBIGB-GFCCVEGCSA-N 1 0 375.441 1.825 20 0 GDADRO CC[N@H+](CCNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)C1CC1 ZINC000866707776 655955575 /nfs/dbraw/zinc/95/55/75/655955575.db2.gz WFEAQBJOHWRCBV-UHFFFAOYSA-N 1 0 379.404 1.950 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cnn(C)c2Br)CC1 ZINC000866717839 655956528 /nfs/dbraw/zinc/95/65/28/655956528.db2.gz QWYIWRFFJRAKJW-UHFFFAOYSA-N 1 0 393.351 1.924 20 0 GDADRO O=S(=O)(N=S1(=O)CCCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000866732740 655957331 /nfs/dbraw/zinc/95/73/31/655957331.db2.gz RRGQRVAPMNSAJB-QGZVFWFLSA-N 1 0 385.555 1.647 20 0 GDADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC1 ZINC000866738363 655957697 /nfs/dbraw/zinc/95/76/97/655957697.db2.gz RCYOYJKPHJSPEM-JTQLQIEISA-N 1 0 379.404 1.935 20 0 GDADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000866741246 655957913 /nfs/dbraw/zinc/95/79/13/655957913.db2.gz BXVBPORDHATKBK-UHFFFAOYSA-N 1 0 390.918 1.863 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000866740699 655957950 /nfs/dbraw/zinc/95/79/50/655957950.db2.gz UOOZYMZZFLVEDX-ZWNOBZJWSA-N 1 0 377.304 1.957 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC[C@H]1[NH3+] ZINC000866758008 655959527 /nfs/dbraw/zinc/95/95/27/655959527.db2.gz KOQOAYASHGIQEM-WDEREUQCSA-N 1 0 379.404 1.935 20 0 GDADRO Cn1cc(S(=O)(=O)N(CCC[NH3+])Cc2ccccc2)c(Br)n1 ZINC000866759293 655959637 /nfs/dbraw/zinc/95/96/37/655959637.db2.gz RUCQVBOKYNFZDT-UHFFFAOYSA-N 1 0 387.303 1.722 20 0 GDADRO C[C@]1(CS(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(Cl)Cl ZINC000866761881 655959900 /nfs/dbraw/zinc/95/99/00/655959900.db2.gz BYQKROFPLHCINV-VHSXEESVSA-N 1 0 398.278 1.326 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866768355 655960856 /nfs/dbraw/zinc/96/08/56/655960856.db2.gz BUEIFZANANVVDX-YPMHNXCESA-N 1 0 380.297 1.905 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1Br ZINC000866770132 655961213 /nfs/dbraw/zinc/96/12/13/655961213.db2.gz SYOHHJWXHRZOTP-WDEREUQCSA-N 1 0 377.308 1.478 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000866771401 655961435 /nfs/dbraw/zinc/96/14/35/655961435.db2.gz SFIWXJCXLDMLPF-UHFFFAOYSA-N 1 0 375.516 1.223 20 0 GDADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc(Cl)nc3F)CC2)C1 ZINC000866771893 655961623 /nfs/dbraw/zinc/96/16/23/655961623.db2.gz LGFCGLMCGKSFRB-RYUDHWBXSA-N 1 0 377.869 1.781 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1)C(F)(F)F ZINC000866773258 655961694 /nfs/dbraw/zinc/96/16/94/655961694.db2.gz PORIAPWBMKFVGJ-UHFFFAOYSA-N 1 0 377.388 1.704 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)nc3F)C2)C1 ZINC000866773852 655961823 /nfs/dbraw/zinc/96/18/23/655961823.db2.gz GIYZSFTZARJDAB-TUAOUCFPSA-N 1 0 377.869 1.781 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1Br ZINC000866776188 655962025 /nfs/dbraw/zinc/96/20/25/655962025.db2.gz VDQGCHAKIHPVRA-LBPRGKRZSA-N 1 0 391.335 1.583 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000866776822 655962116 /nfs/dbraw/zinc/96/21/16/655962116.db2.gz LQUQIKGBXGJIQU-GGOJBBCOSA-N 1 0 375.516 1.093 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2cn(C)nc2Br)[C@@H]1CCC[NH3+] ZINC000866777735 655962396 /nfs/dbraw/zinc/96/23/96/655962396.db2.gz MWMWMWGWHDQWFX-GHMZBOCLSA-N 1 0 379.324 1.711 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]([NH3+])C[C@H]2C)ccc1Br ZINC000866791582 655964051 /nfs/dbraw/zinc/96/40/51/655964051.db2.gz FOAMVMKGNKMZLW-RKDXNWHRSA-N 1 0 377.260 1.346 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C3CCC2(C[NH3+])CC3)c1OC ZINC000866794001 655964358 /nfs/dbraw/zinc/96/43/58/655964358.db2.gz IKBJOVRIAAMXPM-UHFFFAOYSA-N 1 0 388.873 1.780 20 0 GDADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000866795286 655964588 /nfs/dbraw/zinc/96/45/88/655964588.db2.gz WFFJIXYTOJLEQQ-UHFFFAOYSA-N 1 0 377.388 1.832 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C1CC[NH2+]CC1 ZINC000866811650 655966193 /nfs/dbraw/zinc/96/61/93/655966193.db2.gz GFNSFBCGNZRCMY-MRVPVSSYSA-N 1 0 386.948 1.471 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)c1OC ZINC000866811061 655966205 /nfs/dbraw/zinc/96/62/05/655966205.db2.gz IKKPANQPYRPAEJ-SNVBAGLBSA-N 1 0 389.905 1.375 20 0 GDADRO Cn1ncc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)c1Br ZINC000866824971 655967296 /nfs/dbraw/zinc/96/72/96/655967296.db2.gz WYROFSYYVKEVDV-SNVBAGLBSA-N 1 0 385.287 1.509 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1Br ZINC000866855033 655970655 /nfs/dbraw/zinc/97/06/55/655970655.db2.gz VKRSOAMSLIXLQR-NSHDSACASA-N 1 0 377.308 1.289 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000866861545 655971418 /nfs/dbraw/zinc/97/14/18/655971418.db2.gz QZLZPHSHJWBCSJ-HNNXBMFYSA-N 1 0 393.912 1.069 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cn(C)nc2Br)[C@H](C)C1 ZINC000866862645 655971577 /nfs/dbraw/zinc/97/15/77/655971577.db2.gz KGMHMGHSPRQHBR-MNOVXSKESA-N 1 0 379.324 1.533 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cn(C)nc2Br)[C@@H](C)C1 ZINC000866862646 655971602 /nfs/dbraw/zinc/97/16/02/655971602.db2.gz KGMHMGHSPRQHBR-QWRGUYRKSA-N 1 0 379.324 1.533 20 0 GDADRO CC(C)[C@@H](CNS(=O)(=O)c1cc(Cl)cnc1Cl)N1CC[NH+](C)CC1 ZINC000866873053 655972432 /nfs/dbraw/zinc/97/24/32/655972432.db2.gz LEYYZZVJFUWPPW-CYBMUJFWSA-N 1 0 395.356 1.939 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]1CCCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000866891514 655974327 /nfs/dbraw/zinc/97/43/27/655974327.db2.gz HIQICNISDAOIIE-OAHLLOKOSA-N 1 0 375.535 1.791 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C(F)(F)F ZINC000866905270 655975697 /nfs/dbraw/zinc/97/56/97/655975697.db2.gz XTGFRDYHKGAYKQ-GFCCVEGCSA-N 1 0 380.436 1.791 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000866918632 655977058 /nfs/dbraw/zinc/97/70/58/655977058.db2.gz ZQOZFTLMCBLOLY-DEOSSOPVSA-N 1 0 388.559 1.004 20 0 GDADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cnn(C)c1Br ZINC000866940112 655979468 /nfs/dbraw/zinc/97/94/68/655979468.db2.gz JYOQSBRKNJOLKE-UTUOFQBUSA-N 1 0 393.351 1.827 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000866972674 655983365 /nfs/dbraw/zinc/98/33/65/655983365.db2.gz UXNGGBFSNPVPET-DLBZAZTESA-N 1 0 385.555 1.945 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866992189 655984899 /nfs/dbraw/zinc/98/48/99/655984899.db2.gz KCNHDNHQULJGPA-NSHDSACASA-N 1 0 379.324 1.819 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000866993762 655985107 /nfs/dbraw/zinc/98/51/07/655985107.db2.gz JKRNZBAHPAZFQP-CMPLNLGQSA-N 1 0 389.319 1.810 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c1Br ZINC000867060847 655992444 /nfs/dbraw/zinc/99/24/44/655992444.db2.gz PTFAHUXDEXGCBP-UHFFFAOYSA-N 1 0 379.324 1.535 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccccc2OC(F)(F)F)CC1 ZINC000867114832 655997258 /nfs/dbraw/zinc/99/72/58/655997258.db2.gz DAIYFXCIBOLLJG-UHFFFAOYSA-N 1 0 382.404 1.931 20 0 GDADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000867147521 656002565 /nfs/dbraw/zinc/00/25/65/656002565.db2.gz HZSNZOJUSCISDU-NSHDSACASA-N 1 0 379.404 1.950 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000867297325 656032883 /nfs/dbraw/zinc/03/28/83/656032883.db2.gz ANMADTSBMRTROV-AWEZNQCLSA-N 1 0 375.535 1.647 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000867442615 656061949 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C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)CC[C@H]21 ZINC000867812235 656120189 /nfs/dbraw/zinc/12/01/89/656120189.db2.gz IQQWZDYQFBDIIP-SWLSCSKDSA-N 1 0 383.901 1.939 20 0 GDADRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000867864475 656127264 /nfs/dbraw/zinc/12/72/64/656127264.db2.gz BJQWDGKHHYXJQA-UHFFFAOYSA-N 1 0 380.576 1.193 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000868047513 656138345 /nfs/dbraw/zinc/13/83/45/656138345.db2.gz PFJSKDAOHPAGBF-HNNXBMFYSA-N 1 0 398.301 1.324 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000868247137 656146020 /nfs/dbraw/zinc/14/60/20/656146020.db2.gz ZIJORJODOKEMRT-GHMZBOCLSA-N 1 0 384.274 1.982 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)cnc1Br ZINC000868268799 656147542 /nfs/dbraw/zinc/14/75/42/656147542.db2.gz PBSWKANDQRWPPZ-NSHDSACASA-N 1 0 383.290 1.985 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000868286872 656148688 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GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@@](=O)C(C)(C)CC1 ZINC000868741815 656167402 /nfs/dbraw/zinc/16/74/02/656167402.db2.gz OQZJUONDYBDUDW-ZJWNCGCPSA-N 1 0 375.535 1.201 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000869210981 656185679 /nfs/dbraw/zinc/18/56/79/656185679.db2.gz ZLQDKFRIJREIRK-MNOVXSKESA-N 1 0 388.253 1.771 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(F)(F)Br ZINC000870472533 656237646 /nfs/dbraw/zinc/23/76/46/656237646.db2.gz MYPCVZFAMQRIOT-QMMMGPOBSA-N 1 0 375.210 1.972 20 0 GDADRO CC[C@@H](C[NH+](C)C)OC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000870551516 656239632 /nfs/dbraw/zinc/23/96/32/656239632.db2.gz OQOOCAHSKAIQQY-LBPRGKRZSA-N 1 0 375.516 1.249 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000870853949 656250524 /nfs/dbraw/zinc/25/05/24/656250524.db2.gz JJSRDKVBHFQYJI-HUUCEWRRSA-N 1 0 396.285 1.299 20 0 GDADRO COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]([NH3+])c1cccc(Br)c1)CC2 ZINC000870907592 656254736 /nfs/dbraw/zinc/25/47/36/656254736.db2.gz ZICLOYSJDIYDLZ-WFASDCNBSA-N 1 0 394.273 1.318 20 0 GDADRO CN(C)C(=O)Cn1cc(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)cn1 ZINC000870922435 656255605 /nfs/dbraw/zinc/25/56/05/656255605.db2.gz FHWWDMQDEVKYJN-AWEZNQCLSA-N 1 0 380.246 1.372 20 0 GDADRO O=C(CC[NH2+]CC1CC1)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000870931494 656256286 /nfs/dbraw/zinc/25/62/86/656256286.db2.gz GKEXDKKYFGLVOU-UHFFFAOYSA-N 1 0 377.869 1.263 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1I ZINC000870936208 656256564 /nfs/dbraw/zinc/25/65/64/656256564.db2.gz DKDSLLGKMBSWLC-GXSJLCMTSA-N 1 0 376.242 1.878 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)[C@H](N)c3ccccc3Br)CC2)CC1 ZINC000870981640 656259463 /nfs/dbraw/zinc/25/94/63/656259463.db2.gz NLKUJTKPMGFPQF-QGZVFWFLSA-N 1 0 395.345 1.687 20 0 GDADRO O=C(c1ccc(Br)c(O)c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997868 656259600 /nfs/dbraw/zinc/25/96/00/656259600.db2.gz RHFDBSFPZCXPPM-QKCSRTOESA-N 1 0 396.241 1.162 20 0 GDADRO O=C(c1cscc1C(F)(F)F)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996547 656259623 /nfs/dbraw/zinc/25/96/23/656259623.db2.gz JPEVEHRCMDMTLG-AXTRIDKLSA-N 1 0 375.372 1.774 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@H]1C(F)(F)F ZINC000871810050 656280889 /nfs/dbraw/zinc/28/08/89/656280889.db2.gz FFPKRDPLXVMDQY-CMPLNLGQSA-N 1 0 380.388 1.606 20 0 GDADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871813427 656282134 /nfs/dbraw/zinc/28/21/34/656282134.db2.gz ILZFFBCKMNVSCL-NXEZZACHSA-N 1 0 384.351 1.370 20 0 GDADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1OC ZINC000871813913 656282248 /nfs/dbraw/zinc/28/22/48/656282248.db2.gz LFWLZQQGKJKDRI-MNOVXSKESA-N 1 0 382.404 1.770 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)c1 ZINC000871813992 656282502 /nfs/dbraw/zinc/28/25/02/656282502.db2.gz NHAZLGTXDYMKEP-RYUDHWBXSA-N 1 0 380.388 1.539 20 0 GDADRO COC(=O)c1ccc(F)cc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871813924 656282521 /nfs/dbraw/zinc/28/25/21/656282521.db2.gz LIGCFACHRHDLIS-LDYMZIIASA-N 1 0 384.351 1.370 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000871814965 656283081 /nfs/dbraw/zinc/28/30/81/656283081.db2.gz XUOURQZRNKGSEU-IONNQARKSA-N 1 0 380.314 1.203 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)C2 ZINC000871814779 656283088 /nfs/dbraw/zinc/28/30/88/656283088.db2.gz HTCGIYQZMVUKEH-SWLSCSKDSA-N 1 0 392.930 1.115 20 0 GDADRO COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871822068 656284060 /nfs/dbraw/zinc/28/40/60/656284060.db2.gz BLHSMEWHIOPSHU-HOCLYGCPSA-N 1 0 375.535 1.346 20 0 GDADRO [NH3+]C[C@H]1CN(CC(=O)NCCOc2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC000872149695 656318632 /nfs/dbraw/zinc/31/86/32/656318632.db2.gz WQGPUOPPCGLBKI-SMDDNHRTSA-N 1 0 379.810 1.904 20 0 GDADRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)C2=O)ccc1Br ZINC000872205763 656319962 /nfs/dbraw/zinc/31/99/62/656319962.db2.gz HPBUEOGKPVHALE-ZFWWWQNUSA-N 1 0 385.302 1.974 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)COCc2cccs2)cc1 ZINC000872235058 656320942 /nfs/dbraw/zinc/32/09/42/656320942.db2.gz MPFZVCYHAZLHNG-HNNXBMFYSA-N 1 0 384.523 1.366 20 0 GDADRO O=S(=O)(CC[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)cc1 ZINC000872247690 656321499 /nfs/dbraw/zinc/32/14/99/656321499.db2.gz UCAYJRVWCFFFCH-SFESLNEESA-N 1 0 375.487 1.545 20 0 GDADRO Cn1nc(Cl)c(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1Cl ZINC000872253760 656321771 /nfs/dbraw/zinc/32/17/71/656321771.db2.gz GYUWMQGDRUSUCT-ZJUUUORDSA-N 1 0 388.255 1.124 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000872358101 656323885 /nfs/dbraw/zinc/32/38/85/656323885.db2.gz NQOYRXSAMDETKK-UHFFFAOYSA-N 1 0 388.559 1.599 20 0 GDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c2ccccc2O1 ZINC000872462109 656334209 /nfs/dbraw/zinc/33/42/09/656334209.db2.gz FGVVTWMIXKGLQG-RKNYENMMSA-N 1 0 389.543 1.957 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872474307 656336807 /nfs/dbraw/zinc/33/68/07/656336807.db2.gz CALIJBLLHZEEIQ-LBPRGKRZSA-N 1 0 391.335 1.148 20 0 GDADRO O=S(=O)(c1ccc2nc(Cl)cnc2c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872616249 656366419 /nfs/dbraw/zinc/36/64/19/656366419.db2.gz CITJRYSKLYCQBT-NWDGAFQWSA-N 1 0 382.873 1.113 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 ZINC000872619960 656366876 /nfs/dbraw/zinc/36/68/76/656366876.db2.gz NXZCVNATCHHZFL-WMLDXEAASA-N 1 0 375.535 1.790 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)CCSC1 ZINC000872925462 656381954 /nfs/dbraw/zinc/38/19/54/656381954.db2.gz UJLPBPYNJJNDCT-HUORLRHWSA-N 1 0 375.560 1.079 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873106616 656386611 /nfs/dbraw/zinc/38/66/11/656386611.db2.gz CLYLTISRUGQBPU-APPDUMDISA-N 1 0 396.285 1.854 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2nc(C3CCC3)cs2)C[C@H]1C(F)(F)F ZINC000873106682 656386625 /nfs/dbraw/zinc/38/66/25/656386625.db2.gz JPWGXDHGXYIDIS-VHSXEESVSA-N 1 0 376.404 1.945 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1ccccc1I)C2 ZINC000873106088 656386695 /nfs/dbraw/zinc/38/66/95/656386695.db2.gz HVFBSMRHRRXEDU-ZUZCIYMTSA-N 1 0 399.232 1.298 20 0 GDADRO OCCO[C@@]1(C[NH2+]Cc2cccc(F)c2I)CCOC1 ZINC000873136050 656387849 /nfs/dbraw/zinc/38/78/49/656387849.db2.gz SRMXZYIAVALNRE-CQSZACIVSA-N 1 0 395.212 1.688 20 0 GDADRO Cn1cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc(Br)c1=O ZINC000873313130 656390354 /nfs/dbraw/zinc/39/03/54/656390354.db2.gz XNDYOMIZWCGWOT-CBAPKCEASA-N 1 0 397.195 1.749 20 0 GDADRO CS(=O)(=O)Cc1cccc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873306719 656390409 /nfs/dbraw/zinc/39/04/09/656390409.db2.gz XXYARYVSFRUGGP-WCQYABFASA-N 1 0 379.404 1.832 20 0 GDADRO CS(=O)(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1F ZINC000873329465 656390551 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CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000921927398 656429464 /nfs/dbraw/zinc/42/94/64/656429464.db2.gz IXUMKFPUMPWDOE-SOUVJXGZSA-N 1 0 375.535 1.693 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000874171783 656448005 /nfs/dbraw/zinc/44/80/05/656448005.db2.gz FOVWLWMVZSFIQS-YPMHNXCESA-N 1 0 381.274 1.644 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3nc(CC(F)(F)F)cs3)CC[C@H]21 ZINC000874172293 656448087 /nfs/dbraw/zinc/44/80/87/656448087.db2.gz ANQPAVZOVIBZAU-GXSJLCMTSA-N 1 0 376.404 1.739 20 0 GDADRO Cn1cc(C(=O)NCC[N@H+](C)CCOCCO)c(-c2ccc(Cl)s2)n1 ZINC000922116873 656457405 /nfs/dbraw/zinc/45/74/05/656457405.db2.gz MVMIJYNQCRSVMZ-UHFFFAOYSA-N 1 0 386.905 1.473 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](C)CCOCCO)c1ccc(Br)s1 ZINC000922118950 656457822 /nfs/dbraw/zinc/45/78/22/656457822.db2.gz GHDYNRKTLWMCEW-LLVKDONJSA-N 1 0 379.320 1.671 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)s1 ZINC000922141805 656459442 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381.325 1.813 20 0 GDADRO Cn1cnc([C@@H]2CN(C[C@H](O)COc3c(Cl)cccc3Cl)C[C@H]2[NH3+])c1 ZINC000923418252 656551735 /nfs/dbraw/zinc/55/17/35/656551735.db2.gz LSRBJPONVBJAFM-YWPYICTPSA-N 1 0 385.295 1.893 20 0 GDADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448288 656553599 /nfs/dbraw/zinc/55/35/99/656553599.db2.gz BCZLSIKZHBKHBB-GJZGRUSLSA-N 1 0 382.302 1.805 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923476983 656554649 /nfs/dbraw/zinc/55/46/49/656554649.db2.gz MFELJJLUVLNPNK-AWEZNQCLSA-N 1 0 376.320 1.255 20 0 GDADRO [NH3+][C@]1(CO)CCCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923469570 656554676 /nfs/dbraw/zinc/55/46/76/656554676.db2.gz AAKYVSBTUVKJPK-IUODEOHRSA-N 1 0 393.709 1.628 20 0 GDADRO CC1(C)Cc2nc(CN3CC[NH2+][C@@H]4CS(=O)(=O)C[C@@H]43)sc2C(C)(C)C1 ZINC000923524042 656559576 /nfs/dbraw/zinc/55/95/76/656559576.db2.gz PXAVFCIRPOCBTB-KGLIPLIRSA-N 1 0 383.583 1.964 20 0 GDADRO O=C(c1ccc(Cl)cc1)N1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923594260 656573692 /nfs/dbraw/zinc/57/36/92/656573692.db2.gz HWEMPSKXGIRKPI-MRXNPFEDSA-N 1 0 385.917 1.570 20 0 GDADRO O=C(NCCc1cccs1)C1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923594775 656573819 /nfs/dbraw/zinc/57/38/19/656573819.db2.gz BBQNMDMVSBSOIB-INIZCTEOSA-N 1 0 385.555 1.201 20 0 GDADRO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000923608242 656576190 /nfs/dbraw/zinc/57/61/90/656576190.db2.gz OZZJDEARYFUTQK-CYBMUJFWSA-N 1 0 377.308 1.364 20 0 GDADRO O=S(=O)(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCC[NH2+]C1 ZINC000923610148 656576620 /nfs/dbraw/zinc/57/66/20/656576620.db2.gz MUGDTHHUQYQAMH-CHWSQXEVSA-N 1 0 388.331 1.699 20 0 GDADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3occc3Br)CC2)C1 ZINC000923645427 656579954 /nfs/dbraw/zinc/57/99/54/656579954.db2.gz GSCKUSOSHCGMAY-AAEUAGOBSA-N 1 0 393.303 1.949 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2noc3c2CCCC3)CC[C@H]1C(F)(F)F ZINC000923660985 656580763 /nfs/dbraw/zinc/58/07/63/656580763.db2.gz HFXGMQOQASSDSJ-CMPLNLGQSA-N 1 0 381.420 1.842 20 0 GDADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)NCCCCCN1CC[NH2+]CC1 ZINC000923679918 656582777 /nfs/dbraw/zinc/58/27/77/656582777.db2.gz NQTLKAYUHXBIKK-UHFFFAOYSA-N 1 0 377.913 1.974 20 0 GDADRO COC[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000876232392 656584883 /nfs/dbraw/zinc/58/48/83/656584883.db2.gz DMEOOAGZMUPQHE-GOEBONIOSA-N 1 0 386.290 1.502 20 0 GDADRO CCOC(=O)CS[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)C(F)(F)F ZINC000876258367 656589439 /nfs/dbraw/zinc/58/94/39/656589439.db2.gz YPPMQSHUSFSIHH-LBPRGKRZSA-N 1 0 385.452 1.855 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@@H](CC[NH3+])C2)c1 ZINC000923694337 656590272 /nfs/dbraw/zinc/59/02/72/656590272.db2.gz COXNWFRSWYGLDV-SNVBAGLBSA-N 1 0 391.287 1.595 20 0 GDADRO [NH3+][C@@]1(CO)CCCN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000923695884 656591110 /nfs/dbraw/zinc/59/11/10/656591110.db2.gz UHGXPOHAJNDBIG-KRWDZBQOSA-N 1 0 388.917 1.993 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)CC[C@@H]1C[NH3+] ZINC000923697646 656592200 /nfs/dbraw/zinc/59/22/00/656592200.db2.gz BFWMPOCDOJQBKC-GHMZBOCLSA-N 1 0 394.278 1.897 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000923698628 656592598 /nfs/dbraw/zinc/59/25/98/656592598.db2.gz GLVRRSICFSRHGL-JTQLQIEISA-N 1 0 391.287 1.595 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923702543 656593578 /nfs/dbraw/zinc/59/35/78/656593578.db2.gz MEDYHVUCCTVPPY-GHMZBOCLSA-N 1 0 379.404 1.793 20 0 GDADRO Cn1ncc(I)c1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000876301305 656596950 /nfs/dbraw/zinc/59/69/50/656596950.db2.gz ZKJVJAVIOYHUGD-UHFFFAOYSA-N 1 0 379.246 1.164 20 0 GDADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc(F)c(Cl)nc1Cl ZINC000876473603 656606695 /nfs/dbraw/zinc/60/66/95/656606695.db2.gz XLRWSTNIUKBTOH-HNNXBMFYSA-N 1 0 380.247 1.947 20 0 GDADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc(C)nc1Br ZINC000876473473 656606755 /nfs/dbraw/zinc/60/67/55/656606755.db2.gz PREIBAFRYSTLEF-INIZCTEOSA-N 1 0 386.290 1.572 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876558558 656614131 /nfs/dbraw/zinc/61/41/31/656614131.db2.gz SJXGICFJQIQWJQ-CABZTGNLSA-N 1 0 376.201 1.652 20 0 GDADRO O=C(CC[NH2+]CC1CC1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000876565130 656614674 /nfs/dbraw/zinc/61/46/74/656614674.db2.gz YLFJNTQTIOZIID-UHFFFAOYSA-N 1 0 379.404 1.855 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)s1 ZINC000876570392 656615179 /nfs/dbraw/zinc/61/51/79/656615179.db2.gz BLVFAKXIEISQGN-PBHICJAKSA-N 1 0 385.555 1.927 20 0 GDADRO O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000923978312 656615934 /nfs/dbraw/zinc/61/59/34/656615934.db2.gz ADDKBRJBFHTTFK-BMRXWSCTSA-N 1 0 387.571 1.221 20 0 GDADRO CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876622109 656618719 /nfs/dbraw/zinc/61/87/19/656618719.db2.gz BIYIKHYHXSDVKS-STQMWFEESA-N 1 0 379.404 1.245 20 0 GDADRO Cn1ncc(C[NH3+])c1C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000876627457 656619326 /nfs/dbraw/zinc/61/93/26/656619326.db2.gz HSCLSLFGEAQHCD-CQSZACIVSA-N 1 0 379.258 1.855 20 0 GDADRO COC(=O)[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccc(Br)cc1 ZINC000876629802 656619706 /nfs/dbraw/zinc/61/97/06/656619706.db2.gz NGDSTPGEEURZRS-DCAQKATOSA-N 1 0 377.185 1.619 20 0 GDADRO O=C(NCCc1ccc(I)s1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876645807 656621486 /nfs/dbraw/zinc/62/14/86/656621486.db2.gz RKKNFYHKGJXDJU-GZMMTYOYSA-N 1 0 382.242 1.959 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876661017 656622344 /nfs/dbraw/zinc/62/23/44/656622344.db2.gz KCVRPXIJQBWLEN-OLZOCXBDSA-N 1 0 379.404 1.245 20 0 GDADRO COC[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C[NH2+]CCO1 ZINC000876753738 656628027 /nfs/dbraw/zinc/62/80/27/656628027.db2.gz NSCFWYGTRKPLKC-RHSMWYFYSA-N 1 0 398.301 1.149 20 0 GDADRO C[NH+](C)C[C@H](N)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000876777983 656630286 /nfs/dbraw/zinc/63/02/86/656630286.db2.gz VLUHBFFALFYRIM-INIZCTEOSA-N 1 0 383.334 1.419 20 0 GDADRO [NH3+]CCCN(Cc1ccccc1)C(=O)Cn1ccc(Br)cc1=O ZINC000876835972 656634431 /nfs/dbraw/zinc/63/44/31/656634431.db2.gz INFOFGWIRQSJEY-UHFFFAOYSA-N 1 0 378.270 1.988 20 0 GDADRO O=S(=O)(c1ccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)cc1)N1CCOCC1 ZINC000876909060 656638513 /nfs/dbraw/zinc/63/85/13/656638513.db2.gz WGHBJSQZVBCMPP-ZDUSSCGKSA-N 1 0 379.309 1.991 20 0 GDADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000876919083 656639702 /nfs/dbraw/zinc/63/97/02/656639702.db2.gz PTGSBPAMLKEYBO-RHSMWYFYSA-N 1 0 398.301 1.356 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000876917111 656639759 /nfs/dbraw/zinc/63/97/59/656639759.db2.gz AFGRATCPXVKTNA-ZDUSSCGKSA-N 1 0 396.232 1.811 20 0 GDADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000876922753 656640153 /nfs/dbraw/zinc/64/01/53/656640153.db2.gz JZXZAVJWECVHIM-MRXNPFEDSA-N 1 0 382.302 1.847 20 0 GDADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000876963511 656643084 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ZINC000933084872 657250988 /nfs/dbraw/zinc/25/09/88/657250988.db2.gz JFYMICYIMXHZLK-MRXNPFEDSA-N 1 0 375.531 1.882 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)c2nccnc2c1 ZINC000933134491 657261351 /nfs/dbraw/zinc/26/13/51/657261351.db2.gz PDCGFUKHASTWAL-UHFFFAOYSA-N 1 0 393.285 1.969 20 0 GDADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)N1CCOC(C)(C)C1 ZINC000933443136 657281719 /nfs/dbraw/zinc/28/17/19/657281719.db2.gz XJMMTHYHKJTPNB-SFHVURJKSA-N 1 0 399.329 1.970 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H](CO)c1ccc(Br)cc1 ZINC000883331993 657282212 /nfs/dbraw/zinc/28/22/12/657282212.db2.gz LMHOPAUKPNGRQU-HRCADAONSA-N 1 0 398.301 1.645 20 0 GDADRO CN(CC[NH2+]Cc1ccc(I)s1)CCOCCO ZINC000883348231 657282909 /nfs/dbraw/zinc/28/29/09/657282909.db2.gz LDZDRIYYDGZGRC-UHFFFAOYSA-N 1 0 384.283 1.383 20 0 GDADRO O=C(N1CC[C@H](C[NH+]2CCOCC2)C1)C1(n2cc(Br)cn2)CC1 ZINC000933546906 657286502 /nfs/dbraw/zinc/28/65/02/657286502.db2.gz VOZFYFXBSOSAQD-CYBMUJFWSA-N 1 0 383.290 1.315 20 0 GDADRO Cc1nc(CN2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)sc1Br ZINC000883415979 657286681 /nfs/dbraw/zinc/28/66/81/657286681.db2.gz IYZZGDJQAOWQBG-GFCCVEGCSA-N 1 0 387.347 1.858 20 0 GDADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)Cc1ncsc1Br ZINC000883470755 657288918 /nfs/dbraw/zinc/28/89/18/657288918.db2.gz GLVNYPPSACRCEW-UHFFFAOYSA-N 1 0 396.254 1.949 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c(F)cc1C ZINC000883471455 657289346 /nfs/dbraw/zinc/28/93/46/657289346.db2.gz MAUWEIPLQCZMEQ-UHFFFAOYSA-N 1 0 386.367 1.823 20 0 GDADRO Cn1ncc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c1Br ZINC000883471510 657289390 /nfs/dbraw/zinc/28/93/90/657289390.db2.gz OSYDVZGBZCGAHY-UHFFFAOYSA-N 1 0 379.202 1.084 20 0 GDADRO CC[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000933700214 657298711 /nfs/dbraw/zinc/29/87/11/657298711.db2.gz VPWUTMJKCPIVRY-IVMMDQJWSA-N 1 0 387.933 1.764 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000883592691 657299745 /nfs/dbraw/zinc/29/97/45/657299745.db2.gz PPMAZNYDJREEJQ-SNVBAGLBSA-N 1 0 383.246 1.996 20 0 GDADRO [NH3+][C@H](C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000884054243 657322160 /nfs/dbraw/zinc/32/21/60/657322160.db2.gz WNFMGDLELVHDGK-CABCVRRESA-N 1 0 396.285 1.299 20 0 GDADRO [NH3+][C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000884054244 657322179 /nfs/dbraw/zinc/32/21/79/657322179.db2.gz WNFMGDLELVHDGK-GJZGRUSLSA-N 1 0 396.285 1.299 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000884065846 657322796 /nfs/dbraw/zinc/32/27/96/657322796.db2.gz BHLVBVFVNKDVNT-VIFPVBQESA-N 1 0 388.795 1.982 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000933838888 657322863 /nfs/dbraw/zinc/32/28/63/657322863.db2.gz RGQAVPLVUOEDMX-LBPRGKRZSA-N 1 0 396.285 1.448 20 0 GDADRO COCCOc1ccc(NC(=O)NCC[N@H+](C)CCO)cc1Br ZINC000933991387 657331245 /nfs/dbraw/zinc/33/12/45/657331245.db2.gz PETGSHIDFWCWSK-UHFFFAOYSA-N 1 0 390.278 1.520 20 0 GDADRO CN1CCN(C)CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000933994011 657331323 /nfs/dbraw/zinc/33/13/23/657331323.db2.gz JLBGZFDVUSHIQF-UHFFFAOYSA-N 1 0 383.334 1.957 20 0 GDADRO CO[C@H]1CC[C@@H]1N(C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000934117608 657337842 /nfs/dbraw/zinc/33/78/42/657337842.db2.gz HNWKDIZDOMIUOE-KBPBESRZSA-N 1 0 384.274 1.613 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)COCCc1ccc(Br)cc1 ZINC000884286902 657342368 /nfs/dbraw/zinc/34/23/68/657342368.db2.gz NRIKADJNOMOXMW-HNNXBMFYSA-N 1 0 399.285 1.372 20 0 GDADRO Cn1cnnc1C1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884287837 657343109 /nfs/dbraw/zinc/34/31/09/657343109.db2.gz NETOAGGUYWOHEA-CQSZACIVSA-N 1 0 378.274 1.984 20 0 GDADRO O=C(c1ccc2c(Br)cnn2c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000934218471 657344773 /nfs/dbraw/zinc/34/47/73/657344773.db2.gz BUVJUBIWIQGTHZ-ZDUSSCGKSA-N 1 0 393.285 1.891 20 0 GDADRO C[C@](Cn1cccn1)([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C(N)=O ZINC000934221314 657344809 /nfs/dbraw/zinc/34/48/09/657344809.db2.gz MADZCIVIMBAPDR-UKRRQHHQSA-N 1 0 385.237 1.352 20 0 GDADRO Cn1ccnc1CN1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884310212 657344851 /nfs/dbraw/zinc/34/48/51/657344851.db2.gz RHDMZWBMGPMWAL-MRXNPFEDSA-N 1 0 392.301 1.527 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1)C(N)=O ZINC000884336096 657348122 /nfs/dbraw/zinc/34/81/22/657348122.db2.gz JCBQOOHLRTYELK-SCRDCRAPSA-N 1 0 382.555 1.642 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1)C(N)=O ZINC000884336094 657348467 /nfs/dbraw/zinc/34/84/67/657348467.db2.gz JCBQOOHLRTYELK-OBJOEFQTSA-N 1 0 382.555 1.642 20 0 GDADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000884345026 657349668 /nfs/dbraw/zinc/34/96/68/657349668.db2.gz VABBTDMKLHCWQE-YOEHRIQHSA-N 1 0 379.254 1.885 20 0 GDADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000884354085 657350369 /nfs/dbraw/zinc/35/03/69/657350369.db2.gz LYFHZWZRCQWTSI-VXGBXAGGSA-N 1 0 375.288 1.708 20 0 GDADRO [NH3+][C@@H](C(=O)NC[C@H](n1cncn1)C(F)(F)F)c1ccc(Br)cc1 ZINC000884453943 657358735 /nfs/dbraw/zinc/35/87/35/657358735.db2.gz CBGWHOXQJQQDLK-WDEREUQCSA-N 1 0 392.179 1.960 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884496393 657360811 /nfs/dbraw/zinc/36/08/11/657360811.db2.gz VIPUGVPEDILCTG-CABCVRRESA-N 1 0 380.286 1.727 20 0 GDADRO CCC1([NH3+])CCN(C(=O)C(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000884519942 657362645 /nfs/dbraw/zinc/36/26/45/657362645.db2.gz IHULCJYENKBTIL-UHFFFAOYSA-N 1 0 398.301 1.804 20 0 GDADRO C[C@](CO)([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1cccc(Br)c1 ZINC000934498095 657364448 /nfs/dbraw/zinc/36/44/48/657364448.db2.gz YCSLTGVPLADENR-QGZVFWFLSA-N 1 0 398.301 1.967 20 0 GDADRO CCc1cnc(CNC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)s1 ZINC000884658416 657369474 /nfs/dbraw/zinc/36/94/74/657369474.db2.gz JVRIFOQRHGCYOP-UHFFFAOYSA-N 1 0 380.901 1.963 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC000884666950 657369735 /nfs/dbraw/zinc/36/97/35/657369735.db2.gz RVIBKKHFVGFLGP-DGCLKSJQSA-N 1 0 377.794 1.594 20 0 GDADRO COC[C@@H](NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000884682228 657370990 /nfs/dbraw/zinc/37/09/90/657370990.db2.gz UHVCIEOQMUPCCP-LSDHHAIUSA-N 1 0 398.301 1.511 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC000934667761 657371188 /nfs/dbraw/zinc/37/11/88/657371188.db2.gz DWKYCEPFCRUYIO-RHSMWYFYSA-N 1 0 375.535 1.695 20 0 GDADRO CCS(=O)(=O)CCCCC[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934748284 657373458 /nfs/dbraw/zinc/37/34/58/657373458.db2.gz CIRYLQNAPUCFEB-HSZRJFAPSA-N 1 0 381.608 1.878 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000884700032 657373583 /nfs/dbraw/zinc/37/35/83/657373583.db2.gz LRGYULSOGBNMKH-JTQLQIEISA-N 1 0 380.798 1.860 20 0 GDADRO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)ccc1C ZINC000934771821 657375582 /nfs/dbraw/zinc/37/55/82/657375582.db2.gz ANGMKBJRRIJJIZ-DYVFJYSZSA-N 1 0 383.539 1.527 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000884723993 657375895 /nfs/dbraw/zinc/37/58/95/657375895.db2.gz FWBOMGWBTWTFLU-WPRPVWTQSA-N 1 0 378.782 1.614 20 0 GDADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCCC1SCCS1 ZINC000884793396 657379737 /nfs/dbraw/zinc/37/97/37/657379737.db2.gz WIOXLVHTELFLNT-UHFFFAOYSA-N 1 0 387.958 1.940 20 0 GDADRO O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884791264 657379969 /nfs/dbraw/zinc/37/99/69/657379969.db2.gz SGFLTDNKLTYDLV-UHFFFAOYSA-N 1 0 375.778 1.843 20 0 GDADRO Cc1scc(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C ZINC000884856786 657382567 /nfs/dbraw/zinc/38/25/67/657382567.db2.gz LGDLCVKEFVTIKS-AAEUAGOBSA-N 1 0 377.432 1.967 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NCc2ccc(Br)cn2)C1 ZINC000884964632 657391187 /nfs/dbraw/zinc/39/11/87/657391187.db2.gz PUNMIBUAZHEASR-GFCCVEGCSA-N 1 0 383.290 1.355 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(Br)[nH]c1=O ZINC000935018437 657392558 /nfs/dbraw/zinc/39/25/58/657392558.db2.gz NUDLFCYPUFKTOR-RTXFEEFZSA-N 1 0 384.274 1.873 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000935050826 657395428 /nfs/dbraw/zinc/39/54/28/657395428.db2.gz GNOHHQAOAOXXJQ-BZNIZROVSA-N 1 0 384.274 1.304 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000935050828 657395555 /nfs/dbraw/zinc/39/55/55/657395555.db2.gz GNOHHQAOAOXXJQ-ZBEGNZNMSA-N 1 0 384.274 1.304 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cc(Cl)ncc1F)[C@H]1CCS(=O)(=O)C1 ZINC000935093809 657400750 /nfs/dbraw/zinc/40/07/50/657400750.db2.gz VTJKLWWDADXRHP-LBPRGKRZSA-N 1 0 391.896 1.845 20 0 GDADRO Cc1cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)oc1Br ZINC000935207249 657414476 /nfs/dbraw/zinc/41/44/76/657414476.db2.gz OBHIMCAJDMXAPW-UHFFFAOYSA-N 1 0 387.274 1.650 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2ccc(C)c(Br)c2)CC[C@@H]1[NH3+] ZINC000885096088 657418063 /nfs/dbraw/zinc/41/80/63/657418063.db2.gz GEUKHFRGBRKMLM-ZFWWWQNUSA-N 1 0 382.302 1.960 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000885102345 657419859 /nfs/dbraw/zinc/41/98/59/657419859.db2.gz OELJQNZJLGGRSO-HNNXBMFYSA-N 1 0 394.313 1.807 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCCc2sccc2Br)C[C@H]1C[NH3+] ZINC000885209772 657428687 /nfs/dbraw/zinc/42/86/87/657428687.db2.gz AHEBGASWJTYPCM-WDEREUQCSA-N 1 0 388.331 1.613 20 0 GDADRO O=C(NCCc1sccc1Br)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000885209805 657428808 /nfs/dbraw/zinc/42/88/08/657428808.db2.gz BHGDLNWSUMUBAQ-UHFFFAOYSA-N 1 0 386.315 1.524 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000935429822 657432417 /nfs/dbraw/zinc/43/24/17/657432417.db2.gz GINPJLVRFSPYET-GFCCVEGCSA-N 1 0 384.274 1.305 20 0 GDADRO CN(Cc1ccc(F)cc1Cl)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885283810 657439080 /nfs/dbraw/zinc/43/90/80/657439080.db2.gz ALOZXDQGEIPQCV-LLVKDONJSA-N 1 0 377.794 1.799 20 0 GDADRO COc1nc(N2CC[NH+](C[C@H]3C[C@]34CCOC4)CC2)ncc1Br ZINC000886035119 657590851 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Cn1ncc(I)c1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000892212103 658309529 /nfs/dbraw/zinc/30/95/29/658309529.db2.gz UBVVATMVNMOIQK-UHFFFAOYSA-N 1 0 399.236 1.483 20 0 GDADRO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892237211 658312765 /nfs/dbraw/zinc/31/27/65/658312765.db2.gz ICVLGMVBIXXKPI-RHSMWYFYSA-N 1 0 375.535 1.647 20 0 GDADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000892506260 658330459 /nfs/dbraw/zinc/33/04/59/658330459.db2.gz ZUEZFLRWDGVNNQ-NSHDSACASA-N 1 0 375.288 1.932 20 0 GDADRO Cc1cncc(Br)c1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000892700264 658344301 /nfs/dbraw/zinc/34/43/01/658344301.db2.gz ROPDZXSLOQSVRK-KBPBESRZSA-N 1 0 392.301 1.982 20 0 GDADRO O=C(NCCc1sccc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000892938600 658361666 /nfs/dbraw/zinc/36/16/66/658361666.db2.gz BIXXSSDQMCIBCD-LBPRGKRZSA-N 1 0 387.347 1.742 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000892991276 658365605 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C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000903301757 659312826 /nfs/dbraw/zinc/31/28/26/659312826.db2.gz VKGAPEWZSXGARR-XEZPLFJOSA-N 1 0 389.543 1.155 20 0 GDADRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CCS(=O)(=O)C1 ZINC000903365908 659313924 /nfs/dbraw/zinc/31/39/24/659313924.db2.gz AQOPIVNDZHQKRR-IAQYHMDHSA-N 1 0 397.465 1.537 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC[C@H]1F ZINC000903509014 659320340 /nfs/dbraw/zinc/32/03/40/659320340.db2.gz CAHAXXXHPWFDCW-GHMZBOCLSA-N 1 0 376.251 1.990 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCC(C[NH3+])CC2)c1F ZINC000903511739 659321650 /nfs/dbraw/zinc/32/16/50/659321650.db2.gz XQCMDMBZAVHRSZ-UHFFFAOYSA-N 1 0 381.267 1.956 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2c[nH]c3cc(Br)ccc32)CCOCC1 ZINC000903512307 659322057 /nfs/dbraw/zinc/32/20/57/659322057.db2.gz QBOUWCRZTXENHO-UHFFFAOYSA-N 1 0 388.287 1.717 20 0 GDADRO COC(=O)c1ccsc1N1CC[C@H](N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1=O ZINC000903513629 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1.948 20 0 GDADRO COc1cc(Cl)c(S(=O)(=O)NCCN2CCC([NH3+])CC2)cc1OC ZINC000903565767 659342982 /nfs/dbraw/zinc/34/29/82/659342982.db2.gz PRTFDFQPLGRHQA-UHFFFAOYSA-N 1 0 377.894 1.059 20 0 GDADRO Cc1cc(Br)cc(S(=O)(=O)NCCN2CCC([NH3+])CC2)c1 ZINC000903565772 659343128 /nfs/dbraw/zinc/34/31/28/659343128.db2.gz PUVYXVYEYXUJDA-UHFFFAOYSA-N 1 0 376.320 1.459 20 0 GDADRO Cc1cc(Br)c(S(=O)(=O)NCCN2CCC([NH3+])CC2)s1 ZINC000903566194 659343481 /nfs/dbraw/zinc/34/34/81/659343481.db2.gz KUJBYJBEFZRNTN-UHFFFAOYSA-N 1 0 382.349 1.520 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1F ZINC000903578099 659348809 /nfs/dbraw/zinc/34/88/09/659348809.db2.gz BRXKTCQDUODAJF-JQWIXIFHSA-N 1 0 384.351 1.513 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903578223 659349154 /nfs/dbraw/zinc/34/91/54/659349154.db2.gz DEDHZSHTOFOEIS-NWDGAFQWSA-N 1 0 399.460 1.327 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1C ZINC000903578258 659349274 /nfs/dbraw/zinc/34/92/74/659349274.db2.gz DSXDMLJRPGPUCL-CHWSQXEVSA-N 1 0 380.388 1.682 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)CCc2ccc3c(c2)CCO3)CC[C@@H]1C(F)(F)F ZINC000903578847 659349865 /nfs/dbraw/zinc/34/98/65/659349865.db2.gz KNMDZEVNNKVJTB-KBPBESRZSA-N 1 0 378.416 1.705 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)CCc2noc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000903581445 659351888 /nfs/dbraw/zinc/35/18/88/659351888.db2.gz JLXHSAXWWKXRGM-RYUDHWBXSA-N 1 0 377.388 1.912 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1C(F)(F)F ZINC000903581202 659351906 /nfs/dbraw/zinc/35/19/06/659351906.db2.gz AQGLQCWXAXJHLT-RQJHMYQMSA-N 1 0 380.314 1.339 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[C@H]1[NH3+] ZINC000903586299 659354040 /nfs/dbraw/zinc/35/40/40/659354040.db2.gz FIGLWYOUVKKYEQ-LLVKDONJSA-N 1 0 386.417 1.338 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H]1[NH3+] ZINC000903587365 659355060 /nfs/dbraw/zinc/35/50/60/659355060.db2.gz UBEKZWFDNZRGCG-LLVKDONJSA-N 1 0 386.417 1.338 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000903588266 659355451 /nfs/dbraw/zinc/35/54/51/659355451.db2.gz FZNDHQYWDLRJRB-QMTHXVAHSA-N 1 0 377.388 1.689 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903590454 659356277 /nfs/dbraw/zinc/35/62/77/659356277.db2.gz WLCIXGAXFWVJAH-IINYFYTJSA-N 1 0 375.288 1.960 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2Br)C[C@H]1CC[NH3+] ZINC000903714555 659377868 /nfs/dbraw/zinc/37/78/68/659377868.db2.gz ZFYCFWQTVZADMY-CHWSQXEVSA-N 1 0 382.302 1.851 20 0 GDADRO O=C(C(=O)N1CCc2ccc(Br)c(F)c2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903791225 659380520 /nfs/dbraw/zinc/38/05/20/659380520.db2.gz CWKRHCHIRDZUAK-TXEJJXNPSA-N 1 0 396.260 1.151 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000903802128 659381820 /nfs/dbraw/zinc/38/18/20/659381820.db2.gz SYCDKBKFLSJULV-CQSZACIVSA-N 1 0 397.317 1.951 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000903802833 659382063 /nfs/dbraw/zinc/38/20/63/659382063.db2.gz YEQHHRWYQXAKTQ-CQSZACIVSA-N 1 0 383.290 1.576 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)N(C)Cc1cc(Br)cs1)C(C)C ZINC000903808243 659382208 /nfs/dbraw/zinc/38/22/08/659382208.db2.gz FCGQWBVJASATIV-UHFFFAOYSA-N 1 0 376.320 1.925 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1CC(=O)N(C)Cc1ccccc1Br ZINC000903831807 659382921 /nfs/dbraw/zinc/38/29/21/659382921.db2.gz XFVWMGIGGPTVEI-OAHLLOKOSA-N 1 0 384.318 1.718 20 0 GDADRO [NH3+]C[C@@]12CC[C@@H]1CCN2CC(=O)NCC(=O)Nc1ccccc1Br ZINC000903855865 659384717 /nfs/dbraw/zinc/38/47/17/659384717.db2.gz POZUWDBMALZIRC-PXAZEXFGSA-N 1 0 395.301 1.317 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000903877971 659386596 /nfs/dbraw/zinc/38/65/96/659386596.db2.gz ZELMHVOSAZMLPA-JTQLQIEISA-N 1 0 378.217 1.586 20 0 GDADRO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903967662 659390189 /nfs/dbraw/zinc/39/01/89/659390189.db2.gz FNIPTUMQEJDETC-HNNXBMFYSA-N 1 0 382.917 1.700 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CNCCS2(=O)=O)C1 ZINC000903970143 659391304 /nfs/dbraw/zinc/39/13/04/659391304.db2.gz QWWOXSBEMCEBLC-MCIONIFRSA-N 1 0 382.473 1.110 20 0 GDADRO C[C@]1(Cc2noc(C[C@@H]3CS(=O)(=O)[C@H]4C[NH2+]C[C@H]43)n2)CC1(Cl)Cl ZINC000904123556 659396174 /nfs/dbraw/zinc/39/61/74/659396174.db2.gz OXONDNVYWXXCHN-QYTUQVAYSA-N 1 0 380.297 1.371 20 0 GDADRO [NH3+]CCn1cc(Br)cc(-c2nc(CC3CCOCC3)no2)c1=O ZINC000904598815 659404267 /nfs/dbraw/zinc/40/42/67/659404267.db2.gz RENARORZSSHGHE-UHFFFAOYSA-N 1 0 383.246 1.589 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905011900 659417141 /nfs/dbraw/zinc/41/71/41/659417141.db2.gz LMAPZOBFDNDFLY-GOSISDBHSA-N 1 0 394.313 1.805 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905011115 659417322 /nfs/dbraw/zinc/41/73/22/659417322.db2.gz HREJHPTVCPUQIR-HNNXBMFYSA-N 1 0 386.315 1.824 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC2(O)CCCC2)s1 ZINC000905031072 659418184 /nfs/dbraw/zinc/41/81/84/659418184.db2.gz KVOJLBLNHIALKK-CQSZACIVSA-N 1 0 390.571 1.924 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905082060 659421396 /nfs/dbraw/zinc/42/13/96/659421396.db2.gz RVEUZYCWMNKTCY-XJKSGUPXSA-N 1 0 387.274 1.188 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)C1(O)CCOCC1 ZINC000905099124 659423592 /nfs/dbraw/zinc/42/35/92/659423592.db2.gz YOFMUWOJLSQMNI-GDBMZVCRSA-N 1 0 385.302 1.520 20 0 GDADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]C[C@@H]2CSCCS2)CC1 ZINC000905158399 659427622 /nfs/dbraw/zinc/42/76/22/659427622.db2.gz FXQGELUECKEYPZ-KRIMKBQASA-N 1 0 377.572 1.660 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CCC2(O)CCC2)c(C)s1 ZINC000905177766 659429739 /nfs/dbraw/zinc/42/97/39/659429739.db2.gz QCQRDEMMWPMHBY-AWEZNQCLSA-N 1 0 376.544 1.289 20 0 GDADRO O=C1[C@H]([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000905200679 659432111 /nfs/dbraw/zinc/43/21/11/659432111.db2.gz HLCZGTVUCJTTDY-XGWLTEMNSA-N 1 0 389.279 1.591 20 0 GDADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@H](O)C3(O)CCOCC3)nc12 ZINC000905211458 659433366 /nfs/dbraw/zinc/43/33/66/659433366.db2.gz DWBVSUUENLCLPF-AWEZNQCLSA-N 1 0 384.274 1.397 20 0 GDADRO CO[C@@H](CC[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C(F)(F)F ZINC000905227157 659434576 /nfs/dbraw/zinc/43/45/76/659434576.db2.gz CDYHJOQHZKVQFH-NEPJUHHUSA-N 1 0 390.468 1.545 20 0 GDADRO O[C@@H](C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1)C1(O)CCOCC1 ZINC000905236030 659435269 /nfs/dbraw/zinc/43/52/69/659435269.db2.gz DEBMKSYWILQYBP-HOCLYGCPSA-N 1 0 385.302 1.520 20 0 GDADRO [NH3+][C@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)CC[C@@H]1C(F)(F)F ZINC000905296733 659441766 /nfs/dbraw/zinc/44/17/66/659441766.db2.gz XTSSETJNJMFGNV-IUCAKERBSA-N 1 0 392.179 1.844 20 0 GDADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000905354229 659446211 /nfs/dbraw/zinc/44/62/11/659446211.db2.gz PHNYWCOQPKWBIP-OAHLLOKOSA-N 1 0 385.917 1.995 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CCC1 ZINC000905370914 659448668 /nfs/dbraw/zinc/44/86/68/659448668.db2.gz HZVGIXIXWUSWAR-UPJWGTAASA-N 1 0 384.489 1.126 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)CCC1 ZINC000905406175 659451381 /nfs/dbraw/zinc/45/13/81/659451381.db2.gz WXSSMAITMJJIPK-KFWWJZLASA-N 1 0 376.563 1.517 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000905477410 659456560 /nfs/dbraw/zinc/45/65/60/659456560.db2.gz GHZGEPUGQOPRLS-AWEZNQCLSA-N 1 0 380.432 1.622 20 0 GDADRO O[C@@H](C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)Cn1cccn1 ZINC000905478734 659457399 /nfs/dbraw/zinc/45/73/99/659457399.db2.gz LTYOHAARKTXKKP-INIZCTEOSA-N 1 0 376.258 1.982 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000905479817 659457519 /nfs/dbraw/zinc/45/75/19/659457519.db2.gz AOFHWMHCLVZENZ-LLVKDONJSA-N 1 0 397.324 1.747 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905510424 659460505 /nfs/dbraw/zinc/46/05/05/659460505.db2.gz VWZYVOBVBDVFFZ-ABAIWWIYSA-N 1 0 386.461 1.016 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@@H](O)CC2(CO)CCCC2)CCC1 ZINC000905520817 659461240 /nfs/dbraw/zinc/46/12/40/659461240.db2.gz KWIUIDIQNJZOSB-HNNXBMFYSA-N 1 0 376.563 1.520 20 0 GDADRO CCN1CCC[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1=O ZINC000905548985 659463868 /nfs/dbraw/zinc/46/38/68/659463868.db2.gz DQOOOTBLPNSEPA-UKRRQHHQSA-N 1 0 389.265 1.928 20 0 GDADRO O[C@@H](C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)COc1cc(F)cc(Br)c1 ZINC000905573246 659466266 /nfs/dbraw/zinc/46/62/66/659466266.db2.gz UBLFXBBHRGFOTO-AFCVYNCWSA-N 1 0 390.249 1.721 20 0 GDADRO O=C1C[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CN1 ZINC000905589577 659467666 /nfs/dbraw/zinc/46/76/66/659467666.db2.gz ZJXUHTCQQNNWLV-ZYHUDNBSSA-N 1 0 391.693 1.958 20 0 GDADRO O=c1cc(N2CC[C@@H]([NH2+]C[C@@H](O)c3cccc(Br)c3)C2)nc[nH]1 ZINC000905697518 659476556 /nfs/dbraw/zinc/47/65/56/659476556.db2.gz UKBIKLOOHAIEFA-ZIAGYGMSSA-N 1 0 379.258 1.847 20 0 GDADRO CCOC(=O)N1C[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)[C@@H](CO)C1 ZINC000905701473 659477006 /nfs/dbraw/zinc/47/70/06/659477006.db2.gz DOAPKWUNZFHBPO-SNPRPXQTSA-N 1 0 387.274 1.521 20 0 GDADRO [NH3+]C1CCN(Cc2cn(Cc3cc4c(cc3Br)OCO4)nn2)CC1 ZINC000905788878 659482194 /nfs/dbraw/zinc/48/21/94/659482194.db2.gz NLVWTJOPPJDXLN-UHFFFAOYSA-N 1 0 394.273 1.741 20 0 GDADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(Br)nc3N)nn2)n1 ZINC000905815448 659484536 /nfs/dbraw/zinc/48/45/36/659484536.db2.gz HVQORLCWNZPTJE-UHFFFAOYSA-N 1 0 391.277 1.420 20 0 GDADRO Cn1ccc(-n2cc(CN[C@](C)(CO)c3ccc(Br)cc3)nn2)n1 ZINC000906303282 659530256 /nfs/dbraw/zinc/53/02/56/659530256.db2.gz WTPXKLHNBDCVDF-MRXNPFEDSA-N 1 0 391.273 1.761 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1I)C[NH+]1CCCCC1 ZINC000906344270 659532291 /nfs/dbraw/zinc/53/22/91/659532291.db2.gz OQVIGZVOXJFUEA-NSHDSACASA-N 1 0 390.269 1.877 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(F)(F)c1ncccc1Br ZINC000906461516 659543849 /nfs/dbraw/zinc/54/38/49/659543849.db2.gz XJJLZRQTMFOTGH-WDEREUQCSA-N 1 0 390.228 1.915 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2nscc2I)C1 ZINC000906597811 659559569 /nfs/dbraw/zinc/55/95/69/659559569.db2.gz OWZKTMBXSXTNHX-VIFPVBQESA-N 1 0 395.266 1.588 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2nscc2I)C1 ZINC000906619257 659561230 /nfs/dbraw/zinc/56/12/30/659561230.db2.gz PUUJLAQWCDYFHU-MRVPVSSYSA-N 1 0 381.239 1.198 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906631724 659562534 /nfs/dbraw/zinc/56/25/34/659562534.db2.gz INIXDMLWLDTTDU-NSHDSACASA-N 1 0 388.723 1.167 20 0 GDADRO Cc1cc(OCC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)ccc1Br ZINC000906683584 659570756 /nfs/dbraw/zinc/57/07/56/659570756.db2.gz NUQAKCBTAUFKNM-CQSZACIVSA-N 1 0 384.318 1.888 20 0 GDADRO COc1cc(NC(=O)C(=O)NCC2([NH3+])CC2)c(Cl)cc1Br ZINC000906693024 659572472 /nfs/dbraw/zinc/57/24/72/659572472.db2.gz FWUCWFGLQSEXHI-UHFFFAOYSA-N 1 0 376.638 1.657 20 0 GDADRO O=C(Nc1ccc(Br)c2cccnc12)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906726621 659576174 /nfs/dbraw/zinc/57/61/74/659576174.db2.gz DHRMOKBNLKUNFR-LJWDBELGSA-N 1 0 389.253 1.945 20 0 GDADRO O=C(Nc1cc2ccccc2nc1Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906728381 659577199 /nfs/dbraw/zinc/57/71/99/659577199.db2.gz ZVZJARYCXWAGPA-CYZMBNFOSA-N 1 0 389.253 1.945 20 0 GDADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cccc(I)c1)C2 ZINC000906756887 659582558 /nfs/dbraw/zinc/58/25/58/659582558.db2.gz WHOOULSDTGZNHC-GAFUQQFSSA-N 1 0 399.232 1.568 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000906771720 659584637 /nfs/dbraw/zinc/58/46/37/659584637.db2.gz MRBFVTDQFUFSBW-SNVBAGLBSA-N 1 0 390.665 1.488 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000906778678 659585490 /nfs/dbraw/zinc/58/54/90/659585490.db2.gz GPVPRUNCXFFTDS-SNVBAGLBSA-N 1 0 379.766 1.744 20 0 GDADRO Cc1cc(OCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000906780759 659586552 /nfs/dbraw/zinc/58/65/52/659586552.db2.gz RCFMGQHZUBVEQE-CJNGLKHVSA-N 1 0 384.318 1.887 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000906781117 659586651 /nfs/dbraw/zinc/58/66/51/659586651.db2.gz QISYEVAQXMPOJF-NSHDSACASA-N 1 0 397.273 1.107 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000906857651 659602604 /nfs/dbraw/zinc/60/26/04/659602604.db2.gz ZQGMBXMEPILSJZ-UHFFFAOYSA-N 1 0 394.273 1.216 20 0 GDADRO CC(C)[N@H+](C)CCNS(=O)(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000907141531 659679682 /nfs/dbraw/zinc/67/96/82/659679682.db2.gz HMJVDMKYHULHOV-UHFFFAOYSA-N 1 0 377.551 1.893 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C[NH+](C)C ZINC000907196885 659697625 /nfs/dbraw/zinc/69/76/25/659697625.db2.gz CRSYZXJZUCFDHK-QMMMGPOBSA-N 1 0 396.282 1.163 20 0 GDADRO COC(=O)CCN1CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)[C@H](C)C1 ZINC000907219230 659700977 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O=S(=O)(Cc1c(F)cccc1Cl)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000908013131 659854513 /nfs/dbraw/zinc/85/45/13/659854513.db2.gz RCTDZMQTUWGVQM-CVEARBPZSA-N 1 0 376.881 1.840 20 0 GDADRO O=C(NCc1cnc(Br)cn1)C1CCC([NH+]2CCOCC2)CC1 ZINC000908029537 659858531 /nfs/dbraw/zinc/85/85/31/659858531.db2.gz STWIVKVTMZZKPK-UHFFFAOYSA-N 1 0 383.290 1.746 20 0 GDADRO Cn1nc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1C(F)(F)F ZINC000908066076 659863913 /nfs/dbraw/zinc/86/39/13/659863913.db2.gz VVRQRIVGAZXTIG-UHFFFAOYSA-N 1 0 376.404 1.979 20 0 GDADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C3CN(S(C)(=O)=O)C3)C2)s1 ZINC000908082421 659866304 /nfs/dbraw/zinc/86/63/04/659866304.db2.gz JNDDWIXKPAHJGF-CQSZACIVSA-N 1 0 385.555 1.228 20 0 GDADRO CC1(C)CC[N@H+](CCNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000908083944 659866469 /nfs/dbraw/zinc/86/64/69/659866469.db2.gz YLELLOTYYRNJSD-UHFFFAOYSA-N 1 0 393.506 1.207 20 0 GDADRO CC[NH+]1CCN(CCC(=O)Nc2nc3cc(Br)cnc3[nH]2)CC1 ZINC000908464659 659920226 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Cc1nc(C)c(CCNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000910949258 659989081 /nfs/dbraw/zinc/98/90/81/659989081.db2.gz OXDZGYRDAFLGAA-WDEREUQCSA-N 1 0 378.420 1.157 20 0 GDADRO CN(C(=O)C(=O)NCc1ccc(Br)cc1)C1(C[NH3+])CCOCC1 ZINC000910999901 659990399 /nfs/dbraw/zinc/99/03/99/659990399.db2.gz NXEGMLZJMZDUDN-UHFFFAOYSA-N 1 0 384.274 1.032 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCCc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000911013841 659990891 /nfs/dbraw/zinc/99/08/91/659990891.db2.gz COUKYNNKXCLJLO-JSGCOSHPSA-N 1 0 382.302 1.551 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000911018180 659991078 /nfs/dbraw/zinc/99/10/78/659991078.db2.gz MJLTXTYGEMFBRU-TZMCWYRMSA-N 1 0 382.302 1.470 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCc1cccc(Br)c1)C2 ZINC000911014420 659991110 /nfs/dbraw/zinc/99/11/10/659991110.db2.gz KQOSLZDNTLVHAD-CFVMTHIKSA-N 1 0 380.286 1.446 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911028880 659991299 /nfs/dbraw/zinc/99/12/99/659991299.db2.gz LCGMQLUDHMWNST-WHOFXGATSA-N 1 0 382.302 1.740 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911029664 659991322 /nfs/dbraw/zinc/99/13/22/659991322.db2.gz NXDDBPDXWVLAHK-TYNCELHUSA-N 1 0 382.302 1.611 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911030497 659991510 /nfs/dbraw/zinc/99/15/10/659991510.db2.gz XVSQIQZPNRDDAO-VNHYZAJKSA-N 1 0 396.329 1.940 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000911079643 659993629 /nfs/dbraw/zinc/99/36/29/659993629.db2.gz YZSXBECBWOJFKD-KOLCDFICSA-N 1 0 388.693 1.690 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000911078396 659993667 /nfs/dbraw/zinc/99/36/67/659993667.db2.gz CQNBQSKVVVSCNF-CXAGYDPISA-N 1 0 380.286 1.714 20 0 GDADRO O=C(NC[C@H]1CSCCS1)C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000911079689 659993677 /nfs/dbraw/zinc/99/36/77/659993677.db2.gz OELHPMCUWGSLPJ-HOCLYGCPSA-N 1 0 385.599 1.580 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000911128616 659996124 /nfs/dbraw/zinc/99/61/24/659996124.db2.gz JYZLTZYDXSHZRQ-WCQYABFASA-N 1 0 398.326 1.826 20 0 GDADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911133297 659996286 /nfs/dbraw/zinc/99/62/86/659996286.db2.gz FSJFIYJWOSKQGR-LBPRGKRZSA-N 1 0 387.311 1.062 20 0 GDADRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NCc1sccc1Br ZINC000911138337 659996521 /nfs/dbraw/zinc/99/65/21/659996521.db2.gz NYWFRVQVFWPVAN-TZMCWYRMSA-N 1 0 394.294 1.868 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911155369 659996735 /nfs/dbraw/zinc/99/67/35/659996735.db2.gz JUCKAKNXMDSDGN-ZDUSSCGKSA-N 1 0 384.274 1.188 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC000911173512 659997365 /nfs/dbraw/zinc/99/73/65/659997365.db2.gz ZHNGVXXMPKBGDI-AAEUAGOBSA-N 1 0 398.301 1.517 20 0 GDADRO O=C(NCC1(c2ccccc2Br)CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911174213 659997513 /nfs/dbraw/zinc/99/75/13/659997513.db2.gz AOYYKLWRCABWOM-BYCMXARLSA-N 1 0 392.297 1.606 20 0 GDADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000911175240 659997531 /nfs/dbraw/zinc/99/75/31/659997531.db2.gz FRJFWMHTRJPEFP-CYBMUJFWSA-N 1 0 394.313 1.794 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)Oc1ccc(Br)cc1 ZINC000911206238 659998614 /nfs/dbraw/zinc/99/86/14/659998614.db2.gz IKNUGROCJKKMHR-OLZOCXBDSA-N 1 0 398.301 1.530 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)NCC2CC[NH2+]CC2)c1 ZINC000911265907 660000889 /nfs/dbraw/zinc/00/08/89/660000889.db2.gz GBLMIYXUZNZIBO-UHFFFAOYSA-N 1 0 384.274 1.190 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000911270871 660001090 /nfs/dbraw/zinc/00/10/90/660001090.db2.gz UBDRCFXHHSAYJO-HNNXBMFYSA-N 1 0 395.301 1.766 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCc2cc(Br)c(F)cc2C1)C1CC1 ZINC000911274350 660001228 /nfs/dbraw/zinc/00/12/28/660001228.db2.gz PAPPJCBQEHZSMJ-AWEZNQCLSA-N 1 0 384.249 1.326 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CCc2ccc(Br)c(F)c2C1)C1CC1 ZINC000911273143 660001250 /nfs/dbraw/zinc/00/12/50/660001250.db2.gz IPUAVBFHKLMWBM-CYBMUJFWSA-N 1 0 384.249 1.326 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]C1)CC2 ZINC000911274020 660001272 /nfs/dbraw/zinc/00/12/72/660001272.db2.gz DXAIXNHMUCHZDQ-ZDUSSCGKSA-N 1 0 394.313 1.758 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC000911273466 660001281 /nfs/dbraw/zinc/00/12/81/660001281.db2.gz BUGNSAPSAROJEE-LLVKDONJSA-N 1 0 398.276 1.589 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000911290401 660001834 /nfs/dbraw/zinc/00/18/34/660001834.db2.gz GEZPIHKXUNJACF-CABCVRRESA-N 1 0 397.317 1.997 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)NCCC[NH2+]C(C)C)c1 ZINC000911284336 660001864 /nfs/dbraw/zinc/00/18/64/660001864.db2.gz ODUMZTPGLAXCPV-UHFFFAOYSA-N 1 0 386.290 1.578 20 0 GDADRO COc1cc(Br)cc(CNC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000911301539 660002367 /nfs/dbraw/zinc/00/23/67/660002367.db2.gz CKPKMAWVEGPZAC-MFKMUULPSA-N 1 0 384.274 1.331 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)CC[NH2+]1 ZINC000911302416 660002537 /nfs/dbraw/zinc/00/25/37/660002537.db2.gz ICEVTSNQSAJRRW-PWSUYJOCSA-N 1 0 398.276 1.730 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)CC2 ZINC000911310831 660003094 /nfs/dbraw/zinc/00/30/94/660003094.db2.gz OEVRSPRVJYFPAA-SWLSCSKDSA-N 1 0 394.313 1.886 20 0 GDADRO C[C@]1(CCNC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[C@]1(F)Cl ZINC000911314146 660003364 /nfs/dbraw/zinc/00/33/64/660003364.db2.gz XGOJGIXCRXIINK-ISTRZQFTSA-N 1 0 375.872 1.082 20 0 GDADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000911360718 660005014 /nfs/dbraw/zinc/00/50/14/660005014.db2.gz LNSOPDZMYAOYDA-UHFFFAOYSA-N 1 0 397.317 1.684 20 0 GDADRO COC[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Br)c1 ZINC000911360885 660005060 /nfs/dbraw/zinc/00/50/60/660005060.db2.gz MLCZAWCNZKELMO-ZLDLUXBVSA-N 1 0 398.301 1.225 20 0 GDADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911374433 660005890 /nfs/dbraw/zinc/00/58/90/660005890.db2.gz ITWDILFLZADAJR-IUODEOHRSA-N 1 0 382.302 1.910 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000911374892 660005925 /nfs/dbraw/zinc/00/59/25/660005925.db2.gz UZZOPZCACDMFBI-DFBGVHRSSA-N 1 0 396.285 1.073 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000911383825 660006100 /nfs/dbraw/zinc/00/61/00/660006100.db2.gz UYTCTSLPBDCQNE-RISCZKNCSA-N 1 0 380.286 1.306 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000911430268 660007664 /nfs/dbraw/zinc/00/76/64/660007664.db2.gz XRHKDHAGPNAFBK-KRWDZBQOSA-N 1 0 382.302 1.614 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000911430408 660007697 /nfs/dbraw/zinc/00/76/97/660007697.db2.gz ZZHZPKBOSDNLLC-GOSISDBHSA-N 1 0 394.313 1.628 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000911430238 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ZINC001164984982 722143700 /nfs/dbraw/zinc/14/37/00/722143700.db2.gz YNYSRMUDUIQLPU-OALUTQOASA-N 1 0 399.495 1.624 20 0 GDADRO CCNC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164981635 722148770 /nfs/dbraw/zinc/14/87/70/722148770.db2.gz PRZFJBOPWYXOSW-MJGOQNOKSA-N 1 0 396.495 1.349 20 0 GDADRO COCOc1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1 ZINC001165002617 722253678 /nfs/dbraw/zinc/25/36/78/722253678.db2.gz RPCWMFRUSGPHSJ-UHFFFAOYSA-N 1 0 375.473 1.749 20 0 GDADRO Cc1nnc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)o1 ZINC000737523975 945088863 /nfs/dbraw/zinc/08/88/63/945088863.db2.gz YSLYIXYOVCPLAJ-CYBMUJFWSA-N 1 0 382.428 1.766 20 0 GDADRO Cn1cc(C2CC[NH+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC000737605286 945102569 /nfs/dbraw/zinc/10/25/69/945102569.db2.gz LOBYACJTFMGZTH-UHFFFAOYSA-N 1 0 380.456 1.808 20 0 GDADRO CC(C)N1CC[C@H]([NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)C1=O ZINC000820127582 945357315 /nfs/dbraw/zinc/35/73/15/945357315.db2.gz JRZGJKPXGSPOKB-KRWDZBQOSA-N 1 0 397.483 1.527 20 0 GDADRO Cc1cc(N2C[C@@H]3CCN(C(=O)C4(F)CCCC4)[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571260017 945405091 /nfs/dbraw/zinc/40/50/91/945405091.db2.gz NAUHXBHGIGMOHM-XJKSGUPXSA-N 1 0 385.447 1.890 20 0 GDADRO COC1CC(C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571264116 945475849 /nfs/dbraw/zinc/47/58/49/945475849.db2.gz GNHQDKWNYBHFED-ZUEPYMLJSA-N 1 0 385.472 1.408 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)C3CCC(O)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264835 945493265 /nfs/dbraw/zinc/49/32/65/945493265.db2.gz YILFSPJXVWMPKW-SHARSMKWSA-N 1 0 385.472 1.206 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571264889 945495201 /nfs/dbraw/zinc/49/52/01/945495201.db2.gz ZQVQMSIHWSNWSM-VBQJREDUSA-N 1 0 385.472 1.210 20 0 GDADRO Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCOC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571265578 945512961 /nfs/dbraw/zinc/51/29/61/945512961.db2.gz IRPNYCGQBWZMSJ-FVQBIDKESA-N 1 0 385.472 1.258 20 0 GDADRO O=C(NCC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571266707 945549941 /nfs/dbraw/zinc/54/99/41/945549941.db2.gz XEOAZQJJLNUYHD-KXBFYZLASA-N 1 0 385.472 1.063 20 0 GDADRO O=C(N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@]12C[C@H]1COC2 ZINC001571268193 945590237 /nfs/dbraw/zinc/59/02/37/945590237.db2.gz CEYJTOPDHMHFRG-KHYOSLBOSA-N 1 0 386.431 1.123 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C[NH2+]Cc1cncs1 ZINC001571271376 945642120 /nfs/dbraw/zinc/64/21/20/945642120.db2.gz BBBITYLCAOXWKK-NHYWBVRUSA-N 1 0 386.485 1.682 20 0 GDADRO Cc1c[nH]c(C(=O)N2CC[C@H]([C@@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001571271621 945646168 /nfs/dbraw/zinc/64/61/68/945646168.db2.gz FWDMFNQYIDPKGK-NEPJUHHUSA-N 1 0 386.485 1.600 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[nH]n1)[NH+](C)C ZINC001571271636 945646211 /nfs/dbraw/zinc/64/62/11/945646211.db2.gz GDWONSAUJSLDOM-HOCLYGCPSA-N 1 0 386.504 1.641 20 0 GDADRO Cc1cnn(C)c1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271723 945648414 /nfs/dbraw/zinc/64/84/14/945648414.db2.gz IANQCZMEPTVMTM-GFCCVEGCSA-N 1 0 386.485 1.365 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821190019 945650862 /nfs/dbraw/zinc/65/08/62/945650862.db2.gz XRTJPTUGDMNJBQ-KRWDZBQOSA-N 1 0 388.472 1.205 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2cc[nH]n2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571272329 945660091 /nfs/dbraw/zinc/66/00/91/945660091.db2.gz SCMSAPNCDYVEDE-BXUZGUMPSA-N 1 0 386.485 1.221 20 0 GDADRO Cc1ncc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1C ZINC001571272523 945665551 /nfs/dbraw/zinc/66/55/51/945665551.db2.gz VMDRKXGVTVEVKK-LBPRGKRZSA-N 1 0 386.485 1.365 20 0 GDADRO CC[NH+](CC)CC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC001571274133 945691891 /nfs/dbraw/zinc/69/18/91/945691891.db2.gz CBGYCSWOXRUNSG-NSHDSACASA-N 1 0 386.909 1.919 20 0 GDADRO CCc1nc(CN2CCC[C@@H]([NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000821509695 945711532 /nfs/dbraw/zinc/71/15/32/945711532.db2.gz LLGOHOMODBXGCC-HZPDHXFCSA-N 1 0 398.471 1.100 20 0 GDADRO Cn1c(Cl)ncc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571275626 945711689 /nfs/dbraw/zinc/71/16/89/945711689.db2.gz ZHBXYWCFCBGESL-ZDUSSCGKSA-N 1 0 386.847 1.258 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCOC3)C2)cc1-c1nn[nH]n1 ZINC001571276089 945722183 /nfs/dbraw/zinc/72/21/83/945722183.db2.gz HAYODAUQVSTKPG-RBSFLKMASA-N 1 0 386.456 1.039 20 0 GDADRO CN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)c2c[nH+]ccc21 ZINC000821629083 945758025 /nfs/dbraw/zinc/75/80/25/945758025.db2.gz YLFXMVYNSPGVLY-UHFFFAOYSA-N 1 0 375.389 1.046 20 0 GDADRO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000821649687 945774300 /nfs/dbraw/zinc/77/43/00/945774300.db2.gz BDMVNXUWNGBYTD-MAUKXSAKSA-N 1 0 384.484 1.745 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H]([C@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571281422 945803134 /nfs/dbraw/zinc/80/31/34/945803134.db2.gz IKBJLURILCFOFX-CMPLNLGQSA-N 1 0 387.469 1.865 20 0 GDADRO CCc1ocnc1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1C ZINC001571281367 945804474 /nfs/dbraw/zinc/80/44/74/945804474.db2.gz HEXPISZURUKCPD-QWRGUYRKSA-N 1 0 387.469 1.871 20 0 GDADRO Cc1nc(C)c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)o1 ZINC001571281619 945805827 /nfs/dbraw/zinc/80/58/27/945805827.db2.gz KDFDOYGYNISITO-LBPRGKRZSA-N 1 0 387.469 1.880 20 0 GDADRO C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1C[NH+](CCCC2CCOCC2)C1 ZINC001571282228 945834419 /nfs/dbraw/zinc/83/44/19/945834419.db2.gz VFQHWDKEQVQOFX-ZDUSSCGKSA-N 1 0 387.488 1.452 20 0 GDADRO O=C(c1nccs1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282767 945861871 /nfs/dbraw/zinc/86/18/71/945861871.db2.gz QFBYSWQEIWEYSS-LBPRGKRZSA-N 1 0 387.444 1.857 20 0 GDADRO CC(=O)N[C@](C)(C(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001573453992 945868138 /nfs/dbraw/zinc/86/81/38/945868138.db2.gz SNLAMPBAFGWRSF-YJYMSZOUSA-N 1 0 387.488 1.012 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[N@@H+]1CCC[C@H]1CCOC1 ZINC001571283213 945880906 /nfs/dbraw/zinc/88/09/06/945880906.db2.gz BTYPIKDQBQEHCO-JLJPHGGASA-N 1 0 387.488 1.594 20 0 GDADRO CO[C@@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001571284443 945902056 /nfs/dbraw/zinc/90/20/56/945902056.db2.gz QQLCOHOMBFSYND-KGLIPLIRSA-N 1 0 387.488 1.546 20 0 GDADRO O=C(CC[C@@H]1CCOC1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571287239 945970213 /nfs/dbraw/zinc/97/02/13/945970213.db2.gz BMBZEDRFZIZNIW-HIFRSBDPSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@H]1CCOC1 ZINC001571287279 945970600 /nfs/dbraw/zinc/97/06/00/945970600.db2.gz CIMKKPFQENLBJZ-VBNZEHGJSA-N 1 0 388.447 1.417 20 0 GDADRO CN(C(=O)[C@@H]1CCCCO1)[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287613 945975277 /nfs/dbraw/zinc/97/52/77/945975277.db2.gz GCYBUVYRNNQQAL-RDJZCZTQSA-N 1 0 388.447 1.608 20 0 GDADRO CC1(NC(=O)[C@@H]2CCCO2)CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571287625 945976186 /nfs/dbraw/zinc/97/61/86/945976186.db2.gz GHDIBAJNFJPHLP-INIZCTEOSA-N 1 0 388.447 1.656 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001571287830 945977593 /nfs/dbraw/zinc/97/75/93/945977593.db2.gz IZJLAWFBFDNUDP-RHSMWYFYSA-N 1 0 388.447 1.511 20 0 GDADRO O=C(C[C@@H]1CCCO1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571287997 945979865 /nfs/dbraw/zinc/97/98/65/945979865.db2.gz KYVCDDDVWXVGRL-CVEARBPZSA-N 1 0 388.447 1.656 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCCCO1 ZINC001571288779 945993232 /nfs/dbraw/zinc/99/32/32/945993232.db2.gz TYPJIWWUAMYXMV-YOEHRIQHSA-N 1 0 388.447 1.656 20 0 GDADRO CC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1ccc(F)c(-c3nn[nH]n3)c1)CC2 ZINC001571288902 945993865 /nfs/dbraw/zinc/99/38/65/945993865.db2.gz UGLHJJXWEABZES-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO O=C([C@H]1CCCOC1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571289211 945998199 /nfs/dbraw/zinc/99/81/99/945998199.db2.gz XIVZHZXVRGFADY-GJZGRUSLSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@]1(NC(=O)C2CCOCC2)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571289297 946001211 /nfs/dbraw/zinc/00/12/11/946001211.db2.gz ZFEKOEKKSBQAID-LJQANCHMSA-N 1 0 388.447 1.513 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H](C)OC)C2)cc1-c1nn[nH]n1 ZINC001571289428 946006642 /nfs/dbraw/zinc/00/66/42/946006642.db2.gz CVTTXTZVQMYEDL-DZGCQCFKSA-N 1 0 388.472 1.238 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)OC ZINC001571289532 946009452 /nfs/dbraw/zinc/00/94/52/946009452.db2.gz GXLRMIXYBUKKDL-CJNGLKHVSA-N 1 0 388.472 1.381 20 0 GDADRO Cc1occc1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289690 946016193 /nfs/dbraw/zinc/01/61/93/946016193.db2.gz KJKGNJSRFNHMBU-GFCCVEGCSA-N 1 0 388.453 1.460 20 0 GDADRO Cc1nonc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289881 946019291 /nfs/dbraw/zinc/01/92/91/946019291.db2.gz OTNCORTWOWXUKJ-LLVKDONJSA-N 1 0 388.457 1.262 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571290206 946030313 /nfs/dbraw/zinc/03/03/13/946030313.db2.gz XOWYQSPYSORTES-JSGCOSHPSA-N 1 0 388.497 1.744 20 0 GDADRO O=C(N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2)[C@H]1CCOC1 ZINC001571290182 946030714 /nfs/dbraw/zinc/03/07/14/946030714.db2.gz WZYMUVLNGGEBKO-SWLSCSKDSA-N 1 0 388.497 1.435 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)c1cccnc1 ZINC001571294033 946122803 /nfs/dbraw/zinc/12/28/03/946122803.db2.gz YSIACBVVYAXVLM-NOENWEJRSA-N 1 0 389.463 1.612 20 0 GDADRO Cn1cc(C[C@H]2CC[N@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)cn1 ZINC000822674418 946152915 /nfs/dbraw/zinc/15/29/15/946152915.db2.gz SNMYCFUAZKWYBK-CYBMUJFWSA-N 1 0 391.439 1.715 20 0 GDADRO Cc1ccc(C)c(C(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)c1 ZINC001571295458 946164731 /nfs/dbraw/zinc/16/47/31/946164731.db2.gz TZVFHRMJSWSWKK-XGWQRUHWSA-N 1 0 389.463 1.991 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1Cc2cccnc2C1 ZINC001571295595 946169324 /nfs/dbraw/zinc/16/93/24/946169324.db2.gz YRBJQFLCGUGXCV-MSOLQXFVSA-N 1 0 389.463 1.367 20 0 GDADRO O=C([C@@H]1COc2ccccc21)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571295666 946171748 /nfs/dbraw/zinc/17/17/48/946171748.db2.gz BOFHNXIGHAXBOM-FUHWJXTLSA-N 1 0 390.447 1.733 20 0 GDADRO C[C@H]1CN(C(=O)CC(C)(C)O)CC[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571297935 946202337 /nfs/dbraw/zinc/20/23/37/946202337.db2.gz DUNJARZARZQKOM-BLLLJJGKSA-N 1 0 390.463 1.493 20 0 GDADRO O=C(N[C@@]12CCC[C@@H]1[N@H+](Cc1cccc(-c3nn[nH]n3)c1)CC2)c1cncnc1 ZINC001571298244 946212132 /nfs/dbraw/zinc/21/21/32/946212132.db2.gz LDAAATSRVLVPPP-FXAWDEMLSA-N 1 0 390.451 1.584 20 0 GDADRO Cc1cnc(C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)c(C)c1 ZINC001571298913 946233154 /nfs/dbraw/zinc/23/31/54/946233154.db2.gz LPJUVVSSXYLXPI-GASCZTMLSA-N 1 0 390.451 1.482 20 0 GDADRO CC[C@@H](OC)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571299738 946259226 /nfs/dbraw/zinc/25/92/26/946259226.db2.gz OZWFNEJKENJFAC-KDOFPFPSSA-N 1 0 390.513 1.778 20 0 GDADRO O=C(CC[C@@H]1CCCO1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299911 946266384 /nfs/dbraw/zinc/26/63/84/946266384.db2.gz QVJYJGMUGJAODH-KBPBESRZSA-N 1 0 390.513 1.968 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001571300075 946273175 /nfs/dbraw/zinc/27/31/75/946273175.db2.gz TYFVKZZEONQVEB-FZKQIMNGSA-N 1 0 390.513 1.778 20 0 GDADRO Cc1nsc(N[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)c1-c1nn[nH]n1 ZINC001571300311 946280804 /nfs/dbraw/zinc/28/08/04/946280804.db2.gz ZJYZDZBMUBJOAJ-GWCFXTLKSA-N 1 0 390.517 1.232 20 0 GDADRO C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571301870 946285826 /nfs/dbraw/zinc/28/58/26/946285826.db2.gz GNFHZHGNMSGAMY-NWDGAFQWSA-N 1 0 391.426 1.625 20 0 GDADRO O=C(Cc1cccnc1)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571305634 946370691 /nfs/dbraw/zinc/37/06/91/946370691.db2.gz HZEQIGMLTGMJCU-OALUTQOASA-N 1 0 391.479 1.879 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cccnc1 ZINC001571305940 946381244 /nfs/dbraw/zinc/38/12/44/946381244.db2.gz DZGHNWZVSPZLAV-MAUKXSAKSA-N 1 0 391.479 1.974 20 0 GDADRO O=C(Cc1cccnc1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571306038 946385122 /nfs/dbraw/zinc/38/51/22/946385122.db2.gz OHEJNIITHRTHDU-LJQANCHMSA-N 1 0 391.479 1.975 20 0 GDADRO Cc1cncc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)c1 ZINC001571306668 946407886 /nfs/dbraw/zinc/40/78/86/946407886.db2.gz MZEXOBNEPYNKOV-HNAYVOBHSA-N 1 0 391.479 1.892 20 0 GDADRO O=C(CCc1ccncc1)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571306642 946408003 /nfs/dbraw/zinc/40/80/03/946408003.db2.gz ZBCXKEAMLYXTQA-LJQANCHMSA-N 1 0 391.479 1.975 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)CCc1ccccn1 ZINC001571306988 946413951 /nfs/dbraw/zinc/41/39/51/946413951.db2.gz SQHFNBCKHPOLES-KXBFYZLASA-N 1 0 391.479 1.974 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@]2(NC(=O)C(F)F)CCC[C@H]12 ZINC001571307916 946426932 /nfs/dbraw/zinc/42/69/32/946426932.db2.gz JYKYODUNGDENGT-KBXCAEBGSA-N 1 0 392.410 1.754 20 0 GDADRO O=C(N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@]1(F)CCOC1 ZINC001571308059 946429115 /nfs/dbraw/zinc/42/91/15/946429115.db2.gz KVIRJNVGJJGSJV-KSSFIOAISA-N 1 0 392.410 1.215 20 0 GDADRO O=C([C@H]1CC1(F)F)N1C[C@@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001571308522 946433714 /nfs/dbraw/zinc/43/37/14/946433714.db2.gz PYVOTMVTRNTARD-TYNCELHUSA-N 1 0 392.385 1.551 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)c1cn2c(n1)CCC2 ZINC001571312800 946503262 /nfs/dbraw/zinc/50/32/62/946503262.db2.gz DELXTHXIAVUMHZ-DZGCQCFKSA-N 1 0 392.467 1.402 20 0 GDADRO CCc1ccnc(C(=O)NCC2CC(Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571313308 946518248 /nfs/dbraw/zinc/51/82/48/946518248.db2.gz MHCNKNBZGBUOEB-UHFFFAOYSA-N 1 0 392.467 1.570 20 0 GDADRO CC(=O)N(C)C1CC[NH+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823966947 946528251 /nfs/dbraw/zinc/52/82/51/946528251.db2.gz FARMHPSNGHBGJK-UHFFFAOYSA-N 1 0 394.483 1.710 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001571313807 946532557 /nfs/dbraw/zinc/53/25/57/946532557.db2.gz WOSRRJYRCZBTNI-OAHLLOKOSA-N 1 0 392.467 1.641 20 0 GDADRO Cc1cc(C)nc(C(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571315445 946552812 /nfs/dbraw/zinc/55/28/12/946552812.db2.gz KXTCMPDKNKVKLP-OAHLLOKOSA-N 1 0 392.467 1.721 20 0 GDADRO Cc1c[nH]c(C(=O)NC2CC3(C2)CC([NH2+]Cc2cccc(-c4nn[nH]n4)c2)C3)n1 ZINC001571316162 946569682 /nfs/dbraw/zinc/56/96/82/946569682.db2.gz VFRVYIWQVYYREF-UHFFFAOYSA-N 1 0 392.467 1.729 20 0 GDADRO Cc1cc(N[C@H]2CCC[C@@H](NC(=O)Cc3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571316293 946571548 /nfs/dbraw/zinc/57/15/48/946571548.db2.gz YNMLPDDFJQDQKO-JKSUJKDBSA-N 1 0 392.467 1.469 20 0 GDADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1c[nH]nc1C1CC1 ZINC001571316424 946577022 /nfs/dbraw/zinc/57/70/22/946577022.db2.gz CGMIGHQFGBIYGR-AWEZNQCLSA-N 1 0 392.467 1.719 20 0 GDADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316520 946579583 /nfs/dbraw/zinc/57/95/83/946579583.db2.gz FMPPAGCFRMYRSL-BRWVUGGUSA-N 1 0 392.467 1.094 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1n[nH]c2c1CCCC2 ZINC001571316671 946584507 /nfs/dbraw/zinc/58/45/07/946584507.db2.gz JOIYECPIBWNGRD-HNNXBMFYSA-N 1 0 392.467 1.473 20 0 GDADRO O=C([C@@H]1CCCc2n[nH]cc21)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571316868 946589024 /nfs/dbraw/zinc/58/90/24/946589024.db2.gz ORKJINXPCFQHAR-GOEBONIOSA-N 1 0 392.467 1.400 20 0 GDADRO O=C([C@H]1CCn2ccnc2C1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316902 946592083 /nfs/dbraw/zinc/59/20/83/946592083.db2.gz PLRYEYPHQCKZTA-IRXDYDNUSA-N 1 0 392.467 1.016 20 0 GDADRO Cc1ncncc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1C ZINC001571317014 946596387 /nfs/dbraw/zinc/59/63/87/946596387.db2.gz RYNMWAOOGKEHLW-KBXCAEBGSA-N 1 0 392.467 1.748 20 0 GDADRO Cc1ncncc1C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317158 946600675 /nfs/dbraw/zinc/60/06/75/946600675.db2.gz WTKYOMOXYHSDOM-INIZCTEOSA-N 1 0 392.467 1.607 20 0 GDADRO O=C(Cc1cc[nH]n1)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571317186 946600915 /nfs/dbraw/zinc/60/09/15/946600915.db2.gz XRGLGXBGWKDFPU-HXUWFJFHSA-N 1 0 392.467 1.257 20 0 GDADRO Cc1ncc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)n1 ZINC001571317230 946603629 /nfs/dbraw/zinc/60/36/29/946603629.db2.gz YNEATMGGJYBTAB-WOVMCDHWSA-N 1 0 392.467 1.572 20 0 GDADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571317203 946604217 /nfs/dbraw/zinc/60/42/17/946604217.db2.gz XXUUXQIMCWSNKI-FVQBIDKESA-N 1 0 392.467 1.620 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573527907 946650230 /nfs/dbraw/zinc/65/02/30/946650230.db2.gz LNKILTVVIWWLED-ZDUSSCGKSA-N 1 0 387.488 1.013 20 0 GDADRO C[C@@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824492484 946740849 /nfs/dbraw/zinc/74/08/49/946740849.db2.gz ZKYMZZOHYVCXDB-OAHLLOKOSA-N 1 0 386.504 1.207 20 0 GDADRO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573537695 946755410 /nfs/dbraw/zinc/75/54/10/946755410.db2.gz JTSWHHIVGATQEK-DYVFJYSZSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(=O)NC(C)(C)C ZINC000824547010 946788495 /nfs/dbraw/zinc/78/84/95/946788495.db2.gz MFAZESWZEJWIQU-CQSZACIVSA-N 1 0 385.516 1.724 20 0 GDADRO C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824547384 946788667 /nfs/dbraw/zinc/78/86/67/946788667.db2.gz NUZVZDFFJFNHPY-CJNGLKHVSA-N 1 0 380.456 1.442 20 0 GDADRO CC(=O)Nc1cccc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001573546517 946812639 /nfs/dbraw/zinc/81/26/39/946812639.db2.gz CCUPXAMZMYXARN-GASCZTMLSA-N 1 0 392.423 1.015 20 0 GDADRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824605135 946854333 /nfs/dbraw/zinc/85/43/33/946854333.db2.gz FSZSKXHJPXVJQX-LLVKDONJSA-N 1 0 390.444 1.547 20 0 GDADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000824746517 946924394 /nfs/dbraw/zinc/92/43/94/946924394.db2.gz VOTCYOLBRUVEDI-ZBFHGGJFSA-N 1 0 384.484 1.824 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc2c(c1)ncn2C ZINC000825001097 947035592 /nfs/dbraw/zinc/03/55/92/947035592.db2.gz WYJOUKUWGKMMGH-CYBMUJFWSA-N 1 0 390.455 1.254 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000825341667 947159927 /nfs/dbraw/zinc/15/99/27/947159927.db2.gz HGWAYAUHTSLXKJ-GFCCVEGCSA-N 1 0 396.492 1.861 20 0 GDADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000825946348 947382466 /nfs/dbraw/zinc/38/24/66/947382466.db2.gz UICBAMFILGOOGD-IBGZPJMESA-N 1 0 392.463 1.978 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C1CCC1 ZINC001573594109 947385842 /nfs/dbraw/zinc/38/58/42/947385842.db2.gz XJZLXANWCPZBIE-KDOFPFPSSA-N 1 0 386.500 1.554 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C1CCC1 ZINC001573594691 947402827 /nfs/dbraw/zinc/40/28/27/947402827.db2.gz CIIPJTFUTGLTCA-MLGOLLRUSA-N 1 0 390.463 1.351 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1-c1nn[nH]n1 ZINC000826073379 947424495 /nfs/dbraw/zinc/42/44/95/947424495.db2.gz PYMBLFPFFXPMSX-HNNXBMFYSA-N 1 0 380.456 1.874 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)(F)F ZINC001573598830 947446878 /nfs/dbraw/zinc/44/68/78/947446878.db2.gz SETHMDRIMRZGGX-BXUZGUMPSA-N 1 0 382.415 1.067 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccc1 ZINC001573598853 947448143 /nfs/dbraw/zinc/44/81/43/947448143.db2.gz SMNSBEXAMQQISO-YJBOKZPZSA-N 1 0 379.468 1.962 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573599017 947450032 /nfs/dbraw/zinc/45/00/32/947450032.db2.gz UGGDDLJPFVZUCI-IUODEOHRSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC001573599455 947458581 /nfs/dbraw/zinc/45/85/81/947458581.db2.gz YGDMJFDASVKICI-JSGCOSHPSA-N 1 0 392.529 1.663 20 0 GDADRO CC(C(=O)N(C)CCOCC[NH2+]Cc1ccccc1-c1nn[nH]n1)=C1CCC1 ZINC001573604227 947505019 /nfs/dbraw/zinc/50/50/19/947505019.db2.gz MSIPONICTWBTIC-UHFFFAOYSA-N 1 0 384.484 1.932 20 0 GDADRO C[C@H](C(=O)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)C(C)(C)C ZINC001573623470 947687615 /nfs/dbraw/zinc/68/76/15/947687615.db2.gz GEJVUTQHAPDADE-CYBMUJFWSA-N 1 0 387.488 1.131 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccc(F)c1 ZINC001573624840 947696605 /nfs/dbraw/zinc/69/66/05/947696605.db2.gz MSKPAGZLJQAAMI-WFASDCNBSA-N 1 0 381.415 1.639 20 0 GDADRO CC(=O)CCCC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573367154 947755014 /nfs/dbraw/zinc/75/50/14/947755014.db2.gz YEINEHKJFMOODZ-UHFFFAOYSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573367750 947763129 /nfs/dbraw/zinc/76/31/29/947763129.db2.gz HONVEJBTLBBJCK-SJKOYZFVSA-N 1 0 388.447 1.702 20 0 GDADRO CC(C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)=C1CCC1 ZINC001573641648 947856512 /nfs/dbraw/zinc/85/65/12/947856512.db2.gz MLNDKXQBVCTHAK-KRWDZBQOSA-N 1 0 382.468 1.684 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573644154 947869576 /nfs/dbraw/zinc/86/95/76/947869576.db2.gz ZCEDEECTJNSTNZ-WBMJQRKESA-N 1 0 388.447 1.369 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573381342 947872241 /nfs/dbraw/zinc/87/22/41/947872241.db2.gz TXDCESHFTQAJPN-GFCCVEGCSA-N 1 0 376.436 1.702 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)c1ccco1 ZINC001573647448 947894253 /nfs/dbraw/zinc/89/42/53/947894253.db2.gz LIHLLLVPZQZOES-MCIONIFRSA-N 1 0 379.424 1.553 20 0 GDADRO Cc1ccnc(N2CC[N@H+](C[C@H](O)c3ccccc3)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826311248 947899582 /nfs/dbraw/zinc/89/95/82/947899582.db2.gz YHRQRCRJHXUUEC-WBVHZDCISA-N 1 0 379.468 1.814 20 0 GDADRO CC(=O)CCCC(=O)N[C@H]1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573384625 947907316 /nfs/dbraw/zinc/90/73/16/947907316.db2.gz UNJQBMAKNORSNW-SHTZXODSSA-N 1 0 385.472 1.591 20 0 GDADRO C[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccn1 ZINC001573652643 947943964 /nfs/dbraw/zinc/94/39/64/947943964.db2.gz FSNSFLMGOHFDQS-SMDDNHRTSA-N 1 0 386.485 1.370 20 0 GDADRO C[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573656832 947994197 /nfs/dbraw/zinc/99/41/97/947994197.db2.gz IPJPMQKONNIYNP-SJKOYZFVSA-N 1 0 386.485 1.467 20 0 GDADRO Cc1onc(CC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1-c1nn[nH]n1 ZINC000826344166 948003158 /nfs/dbraw/zinc/00/31/58/948003158.db2.gz ZCZJFGRFLLIYEF-UHFFFAOYSA-N 1 0 395.467 1.829 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CC12CCN(c1cc[nH+]cc1-c1nn[nH]n1)CC2)n1cccc1 ZINC001573663122 948032707 /nfs/dbraw/zinc/03/27/07/948032707.db2.gz JDOTYBHRNBUMLH-WMLDXEAASA-N 1 0 392.467 1.800 20 0 GDADRO Cc1onc(CC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826346904 948046839 /nfs/dbraw/zinc/04/68/39/948046839.db2.gz YPIRJQHONSZZOF-VXGBXAGGSA-N 1 0 375.477 1.578 20 0 GDADRO C[C@H](C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)[C@H]1CCCO1 ZINC001573664721 948059307 /nfs/dbraw/zinc/05/93/07/948059307.db2.gz XTJZSUBMHRIXBO-XJKSGUPXSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@H](C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573666254 948084204 /nfs/dbraw/zinc/08/42/04/948084204.db2.gz RNXMUFHROKEILI-HUUCEWRRSA-N 1 0 380.456 1.800 20 0 GDADRO Cn1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360636 948123676 /nfs/dbraw/zinc/12/36/76/948123676.db2.gz SANINRUFRGWUBY-UHFFFAOYSA-N 1 0 392.467 1.369 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccsc1 ZINC001573677924 948143683 /nfs/dbraw/zinc/14/36/83/948143683.db2.gz BHLRMWHNNQSERM-SWLSCSKDSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccc1 ZINC001573677943 948144142 /nfs/dbraw/zinc/14/41/42/948144142.db2.gz BLSCNHYJDZRSHA-KSSFIOAISA-N 1 0 379.468 1.914 20 0 GDADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cccn1 ZINC001573677998 948145237 /nfs/dbraw/zinc/14/52/37/948145237.db2.gz ZQCBMOUDXOMDNO-CQSZACIVSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cccs1 ZINC001573678619 948153310 /nfs/dbraw/zinc/15/33/10/948153310.db2.gz FOSIVKUPHYOEHU-MNOVXSKESA-N 1 0 392.510 1.360 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)N(C)c1ncccc1-c1nn[nH]n1)[NH+]1CCCCCC1 ZINC001573679134 948159322 /nfs/dbraw/zinc/15/93/22/948159322.db2.gz JFEAWNMDEGLWOG-LSDHHAIUSA-N 1 0 386.504 1.467 20 0 GDADRO CC(=O)N1CC2(CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)[C@H]2COC[C@H]21 ZINC001573427423 948165272 /nfs/dbraw/zinc/16/52/72/948165272.db2.gz YJUBCXHHCLHQBZ-ZWKOTPCHSA-N 1 0 382.468 1.326 20 0 GDADRO C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1)n1cccn1 ZINC001573679745 948168320 /nfs/dbraw/zinc/16/83/20/948168320.db2.gz JWZUQKIDRDMBFP-DYVFJYSZSA-N 1 0 380.456 1.309 20 0 GDADRO NC(=O)[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388697 948196413 /nfs/dbraw/zinc/19/64/13/948196413.db2.gz HGZWJKHZRUUNBN-DOTOQJQBSA-N 1 0 397.870 1.915 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cccs1 ZINC001573681589 948208805 /nfs/dbraw/zinc/20/88/05/948208805.db2.gz WPHPIIPOTHICEA-JSGCOSHPSA-N 1 0 386.481 1.299 20 0 GDADRO CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573434478 948215611 /nfs/dbraw/zinc/21/56/11/948215611.db2.gz SEXPYNCBEYAMJU-RTBURBONSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCOCC1)C1CC1 ZINC001573691348 948239016 /nfs/dbraw/zinc/23/90/16/948239016.db2.gz FPUHVVRKQSNQSM-GFCCVEGCSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@@H](C(=O)NCC1(Nc2ncccc2-c2nn[nH]n2)CC1)[NH+]1CCCCCC1 ZINC001573692117 948256236 /nfs/dbraw/zinc/25/62/36/948256236.db2.gz LWDVPFSBFXNJHN-AWEZNQCLSA-N 1 0 384.488 1.587 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC1)n1cccn1 ZINC001573692221 948259347 /nfs/dbraw/zinc/25/93/47/948259347.db2.gz NGBOIMICARODIH-CQSZACIVSA-N 1 0 380.456 1.453 20 0 GDADRO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573694266 948291369 /nfs/dbraw/zinc/29/13/69/948291369.db2.gz BYQIYFXGQWGBJS-HXPMCKFVSA-N 1 0 388.447 1.105 20 0 GDADRO C[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573696827 948334916 /nfs/dbraw/zinc/33/49/16/948334916.db2.gz XOIBIYUFPAZDOP-BZOOQXSSSA-N 1 0 380.456 1.309 20 0 GDADRO O=C1[C@H]([NH+]2CCC([C@@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477037 948385058 /nfs/dbraw/zinc/38/50/58/948385058.db2.gz UOZKVKSHSUSLKI-SJLPKXTDSA-N 1 0 382.468 1.721 20 0 GDADRO O=C1[C@H]([NH+]2CCC(n3ccnc3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476995 948385249 /nfs/dbraw/zinc/38/52/49/948385249.db2.gz SXRQKIFNBUPZKB-GOSISDBHSA-N 1 0 392.467 1.896 20 0 GDADRO O=C1[C@@H]([NH+]2CCC([C@@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477035 948386234 /nfs/dbraw/zinc/38/62/34/948386234.db2.gz UOZKVKSHSUSLKI-AEFFLSMTSA-N 1 0 382.468 1.721 20 0 GDADRO O=C1C[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CN1C1CC1 ZINC000826478890 948389530 /nfs/dbraw/zinc/38/95/30/948389530.db2.gz LLQOHNGRPDSUKN-QGZVFWFLSA-N 1 0 381.484 1.184 20 0 GDADRO c1ccc([C@@H](CN2CCOCC2)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826520131 948449126 /nfs/dbraw/zinc/44/91/26/948449126.db2.gz BDKCKEWTCZUAAC-HXUWFJFHSA-N 1 0 394.479 1.909 20 0 GDADRO c1ccc([C@H](CN2CCOCC2)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826520130 948449192 /nfs/dbraw/zinc/44/91/92/948449192.db2.gz BDKCKEWTCZUAAC-FQEVSTJZSA-N 1 0 394.479 1.909 20 0 GDADRO C[C@H](C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573713665 948465302 /nfs/dbraw/zinc/46/53/02/948465302.db2.gz AUAIQDFLRZWFAS-VXGBXAGGSA-N 1 0 379.415 1.886 20 0 GDADRO C[C@@H](C(=O)NCC[NH+]1CCC(Nc2ncccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573721031 948537774 /nfs/dbraw/zinc/53/77/74/948537774.db2.gz VJAOCOJYJUBWBS-CYBMUJFWSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H](C(=O)NCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC001573721038 948538210 /nfs/dbraw/zinc/53/82/10/948538210.db2.gz VOOMKGZNRMJWGC-OAHLLOKOSA-N 1 0 383.500 1.147 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573725530 948541592 /nfs/dbraw/zinc/54/15/92/948541592.db2.gz AETLWTIMDAEBBM-UPJWGTAASA-N 1 0 386.485 1.370 20 0 GDADRO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573740822 948643000 /nfs/dbraw/zinc/64/30/00/948643000.db2.gz TVNOKADDCOKAHO-UWIFEVILSA-N 1 0 392.467 1.546 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@H]1CCCO1 ZINC001573752019 948711450 /nfs/dbraw/zinc/71/14/50/948711450.db2.gz JZWUXWQSKCNGRV-BNGXUDDSSA-N 1 0 388.447 1.558 20 0 GDADRO CC(C)[C@H](F)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001574075071 948741872 /nfs/dbraw/zinc/74/18/72/948741872.db2.gz ZYLXRFSUGAZFDV-XPCVCDNBSA-N 1 0 378.477 1.716 20 0 GDADRO CC(C)[C@@H](F)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574078488 948758180 /nfs/dbraw/zinc/75/81/80/948758180.db2.gz DCWOOQDNVNHUQH-XJKCOSOUSA-N 1 0 378.427 1.984 20 0 GDADRO C[C@H](CNC(=O)CCc1ccccn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574915401 948764967 /nfs/dbraw/zinc/76/49/67/948764967.db2.gz SMDDJJARKALYIL-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO CC(F)(F)C1(C(=O)NCC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001575224457 948783928 /nfs/dbraw/zinc/78/39/28/948783928.db2.gz WIVXKLFRHHBQSV-UHFFFAOYSA-N 1 0 376.411 1.850 20 0 GDADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001573756144 948799948 /nfs/dbraw/zinc/79/99/48/948799948.db2.gz MFOOCSVHXWCDJE-LSBZLQRGSA-N 1 0 392.463 1.729 20 0 GDADRO CC(C)c1ccoc1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574421040 948811483 /nfs/dbraw/zinc/81/14/83/948811483.db2.gz DUTGMXPKEVMNGV-OAHLLOKOSA-N 1 0 384.440 1.464 20 0 GDADRO CC(C)[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1C ZINC001574081549 948830866 /nfs/dbraw/zinc/83/08/66/948830866.db2.gz UITNPBLKKBMXEC-HFBAOOFYSA-N 1 0 378.427 1.936 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920343 948899949 /nfs/dbraw/zinc/89/99/49/948899949.db2.gz JBYNSZFRQGHANI-NSHDSACASA-N 1 0 389.460 1.689 20 0 GDADRO C[C@H](CNC(=O)CCc1cncnc1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920890 948909285 /nfs/dbraw/zinc/90/92/85/948909285.db2.gz QHEFBCVTADSRHA-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574433604 948960433 /nfs/dbraw/zinc/96/04/33/948960433.db2.gz YSCJWLLDAGOPLH-SHTZXODSSA-N 1 0 392.467 1.831 20 0 GDADRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC001573773083 948972763 /nfs/dbraw/zinc/97/27/63/948972763.db2.gz GISQILZYRZVJGU-QMMMGPOBSA-N 1 0 392.407 1.083 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001574926365 948996922 /nfs/dbraw/zinc/99/69/22/948996922.db2.gz OMVRMESOIQHPOR-ZDUSSCGKSA-N 1 0 391.495 1.925 20 0 GDADRO C[C@@H](F)CC[NH+]1CCC2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001575243978 949006361 /nfs/dbraw/zinc/00/63/61/949006361.db2.gz TULROBJURJXUNS-CYBMUJFWSA-N 1 0 375.452 1.871 20 0 GDADRO CC(C)(C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573774343 949006719 /nfs/dbraw/zinc/00/67/19/949006719.db2.gz MXWJGPUBTGRDPY-UHFFFAOYSA-N 1 0 391.479 1.978 20 0 GDADRO C[C@H](F)CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001575247965 949053170 /nfs/dbraw/zinc/05/31/70/949053170.db2.gz MFUPKBKKTPWMEZ-ZDUSSCGKSA-N 1 0 391.451 1.250 20 0 GDADRO CC(C)[C@H]1C[C@H](CC(=O)NCC[NH2+]Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001574093452 949108431 /nfs/dbraw/zinc/10/84/31/949108431.db2.gz RWLSQXOBEPDDDU-CRAIPNDOSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573787136 949166026 /nfs/dbraw/zinc/16/60/26/949166026.db2.gz MXTFSHMOQODBNH-MGCOHNPYSA-N 1 0 383.378 1.579 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573787615 949183460 /nfs/dbraw/zinc/18/34/60/949183460.db2.gz ZJQPTLMJUPNHNS-HDICACEKSA-N 1 0 391.479 1.976 20 0 GDADRO C[C@H](NC(=O)C(F)F)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575253405 949185922 /nfs/dbraw/zinc/18/59/22/949185922.db2.gz SYKBSQNHPKBENP-WDEREUQCSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574935006 949187648 /nfs/dbraw/zinc/18/76/48/949187648.db2.gz WWMOHCLKJFNWDR-CYBMUJFWSA-N 1 0 384.415 1.679 20 0 GDADRO C[C@H](NC(=O)C1(F)CCOCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575253633 949193791 /nfs/dbraw/zinc/19/37/91/949193791.db2.gz KZKTXFOIKIBOPS-ZDUSSCGKSA-N 1 0 388.447 1.322 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574935345 949195742 /nfs/dbraw/zinc/19/57/42/949195742.db2.gz AMJAQGDAULVWPA-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1nccnc1-c1nn[nH]n1 ZINC001574698911 949218145 /nfs/dbraw/zinc/21/81/45/949218145.db2.gz PYFRZUHGXLZWLE-KBPBESRZSA-N 1 0 387.492 1.180 20 0 GDADRO C[C@H](c1cnccn1)[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575516996 949221300 /nfs/dbraw/zinc/22/13/00/949221300.db2.gz SNVMNXUGVMNVLF-CHWSQXEVSA-N 1 0 381.444 1.140 20 0 GDADRO C[C@@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574937359 949223433 /nfs/dbraw/zinc/22/34/33/949223433.db2.gz OTJDMSBVJCQVFA-NSHDSACASA-N 1 0 387.394 1.377 20 0 GDADRO C[C@H](c1ccccc1)[N@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575517602 949232549 /nfs/dbraw/zinc/23/25/49/949232549.db2.gz XDDUCKGLACSWIM-CJNGLKHVSA-N 1 0 383.456 1.321 20 0 GDADRO C[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575517600 949234580 /nfs/dbraw/zinc/23/45/80/949234580.db2.gz XDDUCKGLACSWIM-BBRMVZONSA-N 1 0 383.456 1.321 20 0 GDADRO C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575255934 949244655 /nfs/dbraw/zinc/24/46/55/949244655.db2.gz SMQXWFXJIHQWPH-RYUDHWBXSA-N 1 0 388.451 1.334 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]1(F)CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574702658 949290659 /nfs/dbraw/zinc/29/06/59/949290659.db2.gz KBFQPRFDTDRZHL-GTNSWQLSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@@H](c1ncccn1)[N@@H+]1CC[C@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575524154 949311191 /nfs/dbraw/zinc/31/11/91/949311191.db2.gz SJAAFUJNZOTVKB-STQMWFEESA-N 1 0 381.444 1.188 20 0 GDADRO CC(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574108992 949311380 /nfs/dbraw/zinc/31/13/80/949311380.db2.gz UAISKWNHDNFIIU-QGZVFWFLSA-N 1 0 378.502 1.417 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574703521 949333348 /nfs/dbraw/zinc/33/33/48/949333348.db2.gz DMTSBROEZHGKQL-JJYIYXIDSA-N 1 0 389.463 1.528 20 0 GDADRO CC(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573796524 949339804 /nfs/dbraw/zinc/33/98/04/949339804.db2.gz SGVBMDTZKSYIEW-LBPRGKRZSA-N 1 0 378.502 1.681 20 0 GDADRO CC1(C)CN(C(=O)[C@@]2(C)CCOC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575527413 949371851 /nfs/dbraw/zinc/37/18/51/949371851.db2.gz CBXUGYKDJTZOKA-JXFKEZNVSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001574704197 949375948 /nfs/dbraw/zinc/37/59/48/949375948.db2.gz ATWWNAIAACENJR-HOCLYGCPSA-N 1 0 386.504 1.783 20 0 GDADRO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574704332 949379022 /nfs/dbraw/zinc/37/90/22/949379022.db2.gz MQDPBQJKGTYBCH-LBPRGKRZSA-N 1 0 388.451 1.288 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001574463895 949386204 /nfs/dbraw/zinc/38/62/04/949386204.db2.gz ALDQBOAVKXEUPT-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574704495 949394063 /nfs/dbraw/zinc/39/40/63/949394063.db2.gz NMQOLMJAEFRLOK-AWEZNQCLSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574945756 949421270 /nfs/dbraw/zinc/42/12/70/949421270.db2.gz NNNXULZCFBLJLD-SNVBAGLBSA-N 1 0 384.469 1.177 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575534191 949423007 /nfs/dbraw/zinc/42/30/07/949423007.db2.gz KXLKLSLTLGRICA-AUUYWEPGSA-N 1 0 385.472 1.151 20 0 GDADRO CC(C)n1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001574465013 949424178 /nfs/dbraw/zinc/42/41/78/949424178.db2.gz SQTGFHXQWMAERR-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@H](CNC(=O)Cc1cscn1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574946641 949438767 /nfs/dbraw/zinc/43/87/67/949438767.db2.gz WZBGPOJUJTYMFO-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001575265254 949441478 /nfs/dbraw/zinc/44/14/78/949441478.db2.gz SNSUDYNHBCGHNI-STQMWFEESA-N 1 0 387.492 1.082 20 0 GDADRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC001575867725 949442572 /nfs/dbraw/zinc/44/25/72/949442572.db2.gz JXBVFZYEFGJWNO-GHMZBOCLSA-N 1 0 376.486 1.448 20 0 GDADRO C[C@H](CNC(=O)Cn1cc(Cl)cn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574947852 949451129 /nfs/dbraw/zinc/45/11/29/949451129.db2.gz FCCRHLYVFMRKGG-GFCCVEGCSA-N 1 0 388.863 1.353 20 0 GDADRO CC(C)c1nccn1CC(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574947836 949454625 /nfs/dbraw/zinc/45/46/25/949454625.db2.gz DVNXERZEWQKNER-AWEZNQCLSA-N 1 0 382.472 1.481 20 0 GDADRO C[C@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574707258 949467694 /nfs/dbraw/zinc/46/76/94/949467694.db2.gz OLBQHADHUGCUSS-LRVUVFPRSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H](NC(=O)C[C@@H]1CCCOC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575267681 949501628 /nfs/dbraw/zinc/50/16/28/949501628.db2.gz JLQFNTFQASLQNO-HOCLYGCPSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001574950001 949522693 /nfs/dbraw/zinc/52/26/93/949522693.db2.gz JLPUATHJLJDXFB-IUODEOHRSA-N 1 0 376.461 1.745 20 0 GDADRO C[C@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711174 949528123 /nfs/dbraw/zinc/52/81/23/949528123.db2.gz DXTIJBVEMURCNX-SNVBAGLBSA-N 1 0 385.394 1.921 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575872358 949541673 /nfs/dbraw/zinc/54/16/73/949541673.db2.gz IJRWVTFLRUNAQD-HIFRSBDPSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575269322 949548325 /nfs/dbraw/zinc/54/83/25/949548325.db2.gz UDLADNTZGOKCKI-VXGBXAGGSA-N 1 0 390.467 1.438 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574955205 949568276 /nfs/dbraw/zinc/56/82/76/949568276.db2.gz CGSIZNJZPCDEJL-XJKCOSOUSA-N 1 0 389.479 1.283 20 0 GDADRO C[C@H](NC(=O)CC[C@H]1CCOC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575270050 949572075 /nfs/dbraw/zinc/57/20/75/949572075.db2.gz AKRPXFFGEXTUJD-GJZGRUSLSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ncc[nH]1 ZINC001573810795 949578220 /nfs/dbraw/zinc/57/82/20/949578220.db2.gz CVQOCOIPNOEPBJ-CQSZACIVSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1nnc[nH]1 ZINC001573810833 949579396 /nfs/dbraw/zinc/57/93/96/949579396.db2.gz DPXNHTKYXGFCHK-ZDUSSCGKSA-N 1 0 387.423 1.058 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001574712693 949585955 /nfs/dbraw/zinc/58/59/55/949585955.db2.gz SXJRMXBCGVZVNE-CQSZACIVSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576167020 949599442 /nfs/dbraw/zinc/59/94/42/949599442.db2.gz OJWCECQPIXHVLO-RHSMWYFYSA-N 1 0 386.500 1.744 20 0 GDADRO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001575270718 949601643 /nfs/dbraw/zinc/60/16/43/949601643.db2.gz FNKLUWOMOHXDRG-ZIAGYGMSSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574957238 949604275 /nfs/dbraw/zinc/60/42/75/949604275.db2.gz UIKQJRBKJYRMHL-XWIAVFTESA-N 1 0 384.484 1.618 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ccnnc1 ZINC001573811567 949605319 /nfs/dbraw/zinc/60/53/19/949605319.db2.gz LVALTEXWUBIVGZ-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574127699 949617073 /nfs/dbraw/zinc/61/70/73/949617073.db2.gz JCWFSIGPFFIJAU-HNNXBMFYSA-N 1 0 392.479 1.645 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ncc[nH]1 ZINC001573812878 949625118 /nfs/dbraw/zinc/62/51/18/949625118.db2.gz VQYYAIGLGGESPF-CQSZACIVSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714864 949637577 /nfs/dbraw/zinc/63/75/77/949637577.db2.gz GZEUWRDZCXWHQV-ZFWWWQNUSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575547864 949644309 /nfs/dbraw/zinc/64/43/09/949644309.db2.gz HSLUNSNPKUJMSD-HNAYVOBHSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574715831 949671497 /nfs/dbraw/zinc/67/14/97/949671497.db2.gz KWEROKJMMKJJBZ-ZFWWWQNUSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001574478424 949708049 /nfs/dbraw/zinc/70/80/49/949708049.db2.gz ZDZLKKVIPVZSGC-CRAIPNDOSA-N 1 0 386.500 1.962 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1csc(=O)[nH]1 ZINC001573818100 949716733 /nfs/dbraw/zinc/71/67/33/949716733.db2.gz GCYSXXRMXHOHBS-LBPRGKRZSA-N 1 0 388.457 1.102 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574717387 949738576 /nfs/dbraw/zinc/73/85/76/949738576.db2.gz VNXOHTJVDSWNSW-WFASDCNBSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881837 949739395 /nfs/dbraw/zinc/73/93/95/949739395.db2.gz BVCBUSLRLPFDCS-DYVFJYSZSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCCOC1 ZINC001575558742 949740710 /nfs/dbraw/zinc/74/07/10/949740710.db2.gz RQOLYUBOFKYXRS-KSSFIOAISA-N 1 0 390.513 1.729 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC1(F)F ZINC001573820286 949762641 /nfs/dbraw/zinc/76/26/41/949762641.db2.gz XCJFMQNMDGUIEW-DGCLKSJQSA-N 1 0 379.415 1.672 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1nccnc1-c1nn[nH]n1 ZINC001576171455 949767603 /nfs/dbraw/zinc/76/76/03/949767603.db2.gz QPJJQHOKBDHQIY-KGLIPLIRSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@@H](CN(C)C(=O)CC1OCCCO1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574718586 949791155 /nfs/dbraw/zinc/79/11/55/949791155.db2.gz ZRMZSWJWRLXUGU-LBPRGKRZSA-N 1 0 392.435 1.095 20 0 GDADRO C[C@H](CNC(=O)c1c(Cl)cnn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574965240 949797514 /nfs/dbraw/zinc/79/75/14/949797514.db2.gz DOVLAHSLUDXZJP-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001574481953 949816404 /nfs/dbraw/zinc/81/64/04/949816404.db2.gz XXORCQYKAMAXPC-OLZOCXBDSA-N 1 0 386.485 1.467 20 0 GDADRO C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575282509 949840623 /nfs/dbraw/zinc/84/06/23/949840623.db2.gz CMDNNXNRMOSVSX-QWRGUYRKSA-N 1 0 376.440 1.190 20 0 GDADRO CC(C)OCCC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574722722 949847568 /nfs/dbraw/zinc/84/75/68/949847568.db2.gz WBDFJUBKCSCERV-ZDUSSCGKSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1ccncc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574722967 949850265 /nfs/dbraw/zinc/85/02/65/949850265.db2.gz ZAIVRZOGQHUXTF-OAHLLOKOSA-N 1 0 379.468 1.831 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574142461 949872520 /nfs/dbraw/zinc/87/25/20/949872520.db2.gz ZKZHAKAPIVMSDZ-ACJLOTCBSA-N 1 0 375.477 1.044 20 0 GDADRO CC(C)(C)C1CC(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573825399 949879317 /nfs/dbraw/zinc/87/93/17/949879317.db2.gz UODNZOQMILOKIU-WXRRBKDZSA-N 1 0 392.529 1.567 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001574967984 949881090 /nfs/dbraw/zinc/88/10/90/949881090.db2.gz KUXFMQUQDNWEGG-BDJLRTHQSA-N 1 0 383.431 1.977 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1cncs1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574725617 949902046 /nfs/dbraw/zinc/90/20/46/949902046.db2.gz TZBQJDCMIYXXOH-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](CNC(=O)c1c(F)cncc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574968882 949912291 /nfs/dbraw/zinc/91/22/91/949912291.db2.gz UWSOGWYLIPUNKI-VIFPVBQESA-N 1 0 391.357 1.587 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574725906 949914197 /nfs/dbraw/zinc/91/41/97/949914197.db2.gz VQRAJSGFNDGAPN-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@H](CN(C)C(=O)CCn1cccc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574726053 949926532 /nfs/dbraw/zinc/92/65/32/949926532.db2.gz XFRGMUDXQBBZCX-CQSZACIVSA-N 1 0 385.447 1.834 20 0 GDADRO C[C@@H](Nc1nc(Cl)c(-c2nn[nH]n2)s1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001575285622 949953827 /nfs/dbraw/zinc/95/38/27/949953827.db2.gz PGXLJXBSYSPXHV-DTWKUNHWSA-N 1 0 384.897 1.378 20 0 GDADRO C[C@H](CN(C)C(=O)COC1CCCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574727130 949953888 /nfs/dbraw/zinc/95/38/88/949953888.db2.gz PSZXOWXLVZRGFD-CYBMUJFWSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CN(C)C(=O)COc1ccccc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574727295 949961645 /nfs/dbraw/zinc/96/16/45/949961645.db2.gz RJSGHSDVOJYGAJ-OAHLLOKOSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@H](NC(=O)C[NH+]1CCCC1)C1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575286680 949986471 /nfs/dbraw/zinc/98/64/71/949986471.db2.gz XMANOYNGVINOJJ-ZDUSSCGKSA-N 1 0 387.463 1.038 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@@H]1CCOC1 ZINC001574150227 950021006 /nfs/dbraw/zinc/02/10/06/950021006.db2.gz AIZNQHIFYMDHTN-FUHWJXTLSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1ncc[nH]1 ZINC001574150318 950024143 /nfs/dbraw/zinc/02/41/43/950024143.db2.gz BGJYHJACGJIQCP-LBPRGKRZSA-N 1 0 388.501 1.515 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cccnn2)[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576181826 950025390 /nfs/dbraw/zinc/02/53/90/950025390.db2.gz MRGNGQMBQQFWFO-KDOFPFPSSA-N 1 0 392.467 1.687 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ccnn1C ZINC001574150256 950025822 /nfs/dbraw/zinc/02/58/22/950025822.db2.gz AUTWLBBEKKYECE-LBPRGKRZSA-N 1 0 388.501 1.596 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1cncs1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574730862 950037462 /nfs/dbraw/zinc/03/74/62/950037462.db2.gz SDXBGMHDUZIZCL-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@H]1CCOC1 ZINC001574150884 950045123 /nfs/dbraw/zinc/04/51/23/950045123.db2.gz GGAUUUAOELZWMX-AEFFLSMTSA-N 1 0 386.500 1.914 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CCOc1ccccc1F ZINC001574976188 950057191 /nfs/dbraw/zinc/05/71/91/950057191.db2.gz NJAPKUOGCWOJJH-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CCOc1cccc(F)c1 ZINC001574976343 950069069 /nfs/dbraw/zinc/06/90/69/950069069.db2.gz QONQLNDLLYKYEE-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574151317 950070212 /nfs/dbraw/zinc/07/02/12/950070212.db2.gz PDGOXOFUCXTWDL-YYWXWVFPSA-N 1 0 390.513 1.441 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCCO1 ZINC001574151370 950074040 /nfs/dbraw/zinc/07/40/40/950074040.db2.gz PZCLJQHEUHEBEA-PBHICJAKSA-N 1 0 390.463 1.805 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ncccn1 ZINC001574151440 950076162 /nfs/dbraw/zinc/07/61/62/950076162.db2.gz REXJAMPHRKHTCD-GFCCVEGCSA-N 1 0 386.485 1.653 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ncccn1 ZINC001574151489 950079289 /nfs/dbraw/zinc/07/92/89/950079289.db2.gz SWLDCDVXBBYXAM-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCOC1 ZINC001574151668 950088649 /nfs/dbraw/zinc/08/86/49/950088649.db2.gz XQWNEJYJNRSCLB-CHWSQXEVSA-N 1 0 378.502 1.585 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CCc1ccc(F)c(F)c1 ZINC001574976684 950092937 /nfs/dbraw/zinc/09/29/37/950092937.db2.gz YTSVXZCMSCVOLV-LLVKDONJSA-N 1 0 389.410 1.766 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccco1 ZINC001574492571 950094950 /nfs/dbraw/zinc/09/49/50/950094950.db2.gz BIASDCSEPTYLHX-ZFWWWQNUSA-N 1 0 384.440 1.220 20 0 GDADRO CC1(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCC1 ZINC001575582005 950095601 /nfs/dbraw/zinc/09/56/01/950095601.db2.gz BIEUWTDJPCJWMA-LJQANCHMSA-N 1 0 388.447 1.249 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]CCc1ccc2c(c1)CCO2 ZINC001574977275 950119076 /nfs/dbraw/zinc/11/90/76/950119076.db2.gz JCEGIKJOBMAWIE-GFCCVEGCSA-N 1 0 381.440 1.080 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ccnnc1 ZINC001574153187 950131681 /nfs/dbraw/zinc/13/16/81/950131681.db2.gz OYFGZIOUBDRWTE-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576184864 950142518 /nfs/dbraw/zinc/14/25/18/950142518.db2.gz XGOATRNQXPXZOC-ZFWWWQNUSA-N 1 0 383.456 1.274 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cnccn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575897701 950145077 /nfs/dbraw/zinc/14/50/77/950145077.db2.gz QFVIVSUMSAYYSM-CZUORRHYSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575583956 950158193 /nfs/dbraw/zinc/15/81/93/950158193.db2.gz NZWQGJMADLBWPT-IFXJQAMLSA-N 1 0 388.447 1.513 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cnccn1 ZINC001574153991 950161011 /nfs/dbraw/zinc/16/10/11/950161011.db2.gz ZBZMNRDIVVZTLP-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cccnn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575899746 950178516 /nfs/dbraw/zinc/17/85/16/950178516.db2.gz YMWUTEHSSMDSPP-CZUORRHYSA-N 1 0 378.440 1.440 20 0 GDADRO CC(C)(C)CC[N@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573844131 950184115 /nfs/dbraw/zinc/18/41/15/950184115.db2.gz CJFCIYOIMWJVQJ-UHFFFAOYSA-N 1 0 389.504 1.530 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001573844145 950187309 /nfs/dbraw/zinc/18/73/09/950187309.db2.gz CTSGBQPCKVYIKK-DZGCQCFKSA-N 1 0 375.477 1.186 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001573844147 950187465 /nfs/dbraw/zinc/18/74/65/950187465.db2.gz CTSGBQPCKVYIKK-UKRRQHHQSA-N 1 0 375.477 1.186 20 0 GDADRO CC(C)(C)CC[N@H+](CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573844480 950191047 /nfs/dbraw/zinc/19/10/47/950191047.db2.gz IDFGJXHSEKPDBQ-HNNXBMFYSA-N 1 0 389.504 1.530 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ncccn1 ZINC001575900451 950199587 /nfs/dbraw/zinc/19/95/87/950199587.db2.gz FHCMFPGESRFGRD-ABAIWWIYSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccn(C)n1 ZINC001575900896 950210927 /nfs/dbraw/zinc/21/09/27/950210927.db2.gz IZXDRKRGOADDNR-NHYWBVRUSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001576191803 950215157 /nfs/dbraw/zinc/21/51/57/950215157.db2.gz IKLCSUUYDFANTJ-NEPJUHHUSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)COCC1CC1 ZINC001575901831 950241795 /nfs/dbraw/zinc/24/17/95/950241795.db2.gz QLRWPEFOVUOQPJ-SJCJKPOMSA-N 1 0 388.447 1.511 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCOC1 ZINC001574157525 950241745 /nfs/dbraw/zinc/24/17/45/950241745.db2.gz CGXYWBMOLSOZAU-HUUCEWRRSA-N 1 0 387.488 1.443 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc[nH]n2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576192523 950251433 /nfs/dbraw/zinc/25/14/33/950251433.db2.gz PAYGDRSQKNBKOE-XJKSGUPXSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnsn1 ZINC001575902657 950264423 /nfs/dbraw/zinc/26/44/23/950264423.db2.gz WJPJZDQKHOGIJD-NOZJJQNGSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)C1=CCOCC1 ZINC001575902631 950265967 /nfs/dbraw/zinc/26/59/67/950265967.db2.gz WAUPCOWPJXZHNO-SJKOYZFVSA-N 1 0 386.431 1.432 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC001574498344 950268343 /nfs/dbraw/zinc/26/83/43/950268343.db2.gz MPSJJGVEAAKOQU-GXFFZTMASA-N 1 0 386.378 1.022 20 0 GDADRO CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cc1cscn1 ZINC001574157991 950269576 /nfs/dbraw/zinc/26/95/76/950269576.db2.gz MFSIGCXEROEKBV-GFCCVEGCSA-N 1 0 386.485 1.326 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576193017 950282709 /nfs/dbraw/zinc/28/27/09/950282709.db2.gz QUFVPERAKJRJNP-RYUDHWBXSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cncnc1 ZINC001575905132 950290596 /nfs/dbraw/zinc/29/05/96/950290596.db2.gz BJQBVRFWDVPECR-MEDUHNTESA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1ccoc1 ZINC001575905488 950293048 /nfs/dbraw/zinc/29/30/48/950293048.db2.gz DDQUNTDARUZCDD-YVEFUNNKSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575905491 950295742 /nfs/dbraw/zinc/29/57/42/950295742.db2.gz DEEONNAGVHROQH-CZUORRHYSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@]1(C(=O)NCCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575592686 950298464 /nfs/dbraw/zinc/29/84/64/950298464.db2.gz JJNLNQJTIIDYSP-IBGZPJMESA-N 1 0 385.472 1.411 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1CCC(O)CC1 ZINC001574159309 950299205 /nfs/dbraw/zinc/29/92/05/950299205.db2.gz WCIOMJZGTWQZFA-SLTAFYQDSA-N 1 0 387.488 1.178 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cnoc1 ZINC001575906394 950312670 /nfs/dbraw/zinc/31/26/70/950312670.db2.gz IIENLYOFIFLBKJ-ZBEGNZNMSA-N 1 0 385.403 1.316 20 0 GDADRO CC(C)C[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001574160260 950337098 /nfs/dbraw/zinc/33/70/98/950337098.db2.gz MRXYTXZRPHWBGS-CABCVRRESA-N 1 0 386.504 1.546 20 0 GDADRO C[C@@H](CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCCO1 ZINC001574501515 950338155 /nfs/dbraw/zinc/33/81/55/950338155.db2.gz FFIYPDDSNIOPJQ-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)C[C@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574160523 950338799 /nfs/dbraw/zinc/33/87/99/950338799.db2.gz NSOZLLNYBFYBNJ-HIFRSBDPSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cn(C)cn1 ZINC001575907739 950341421 /nfs/dbraw/zinc/34/14/21/950341421.db2.gz PZMGAMMDVOTACU-XHDPSFHLSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ccccn1 ZINC001575907816 950348353 /nfs/dbraw/zinc/34/83/53/950348353.db2.gz RESZFQAUFBRHIR-BLLLJJGKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1ccon1 ZINC001575908071 950353267 /nfs/dbraw/zinc/35/32/67/950353267.db2.gz AGHCLKHKDCYLLC-DYVFJYSZSA-N 1 0 381.440 1.567 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cnns1 ZINC001575908542 950369952 /nfs/dbraw/zinc/36/99/52/950369952.db2.gz UXGLFKJRKOWDLF-WCBMZHEXSA-N 1 0 376.471 1.173 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)C1CC(F)(F)C1 ZINC001575908554 950370113 /nfs/dbraw/zinc/37/01/13/950370113.db2.gz VBBUJHCKFSIHBK-NHYWBVRUSA-N 1 0 376.411 1.991 20 0 GDADRO CC1(C(=O)NC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CCCO2)CCC1 ZINC001575596548 950377820 /nfs/dbraw/zinc/37/78/20/950377820.db2.gz TVBDOPRIDPPEMG-KRWDZBQOSA-N 1 0 384.484 1.764 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCC[C@H](Nc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576196951 950378433 /nfs/dbraw/zinc/37/84/33/950378433.db2.gz KEGMOQPJRCZSJI-HNNXBMFYSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ncccc1F ZINC001575908760 950378877 /nfs/dbraw/zinc/37/88/77/950378877.db2.gz DULTUKKJMXFCOT-BLLLJJGKSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1ccc2c(c1)COC2 ZINC001574990886 950382330 /nfs/dbraw/zinc/38/23/30/950382330.db2.gz GDIJQKANINFQBZ-GFCCVEGCSA-N 1 0 381.440 1.475 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1c[nH]cn1 ZINC001575908879 950384635 /nfs/dbraw/zinc/38/46/35/950384635.db2.gz WSAJZXBPWSMPLM-SUMWQHHRSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576197155 950386585 /nfs/dbraw/zinc/38/65/85/950386585.db2.gz LDJUPAGTQSSDQV-CQSZACIVSA-N 1 0 389.529 1.304 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H](O)C1CCCCC1 ZINC001574746210 950391023 /nfs/dbraw/zinc/39/10/23/950391023.db2.gz MSJSXRBNCABSFT-BLLLJJGKSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575597008 950398083 /nfs/dbraw/zinc/39/80/83/950398083.db2.gz LAJQUTKQAGKRAO-OXFYSEKESA-N 1 0 384.484 1.668 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCC[C@H]2CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001576198027 950402412 /nfs/dbraw/zinc/40/24/12/950402412.db2.gz RDUYOTQJDZMVER-INIZCTEOSA-N 1 0 384.488 1.397 20 0 GDADRO CC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575597292 950407270 /nfs/dbraw/zinc/40/72/70/950407270.db2.gz ODJJIVIPSCUESM-KOMQPUFPSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[nH]n4)nc3)C2)C1 ZINC001576198830 950415389 /nfs/dbraw/zinc/41/53/89/950415389.db2.gz VQXHQUYUVAYHFE-GDBMZVCRSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC2(C)CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001576202571 950429186 /nfs/dbraw/zinc/42/91/86/950429186.db2.gz BELGJYQZKOYXDI-CQSZACIVSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203254 950438937 /nfs/dbraw/zinc/43/89/37/950438937.db2.gz FUBFDCBSXHWNHN-HIFRSBDPSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C(C)(C)C)C1 ZINC001576203234 950440559 /nfs/dbraw/zinc/44/05/59/950440559.db2.gz FMFZPQMFOCGZEL-BBRMVZONSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575913014 950473081 /nfs/dbraw/zinc/47/30/81/950473081.db2.gz SOKACGQZYLHLTH-MLGOLLRUSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccc1F ZINC001575914724 950501286 /nfs/dbraw/zinc/50/12/86/950501286.db2.gz VUBSWYALGAUBHQ-LRDDRELGSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(F)cn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574753237 950515487 /nfs/dbraw/zinc/51/54/87/950515487.db2.gz JYWMLMXSORALTE-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)CNc1cccc(F)c1-c1nn[nH]n1 ZINC001576205583 950530870 /nfs/dbraw/zinc/53/08/70/950530870.db2.gz KEBPZDTYXAXTPN-CQSZACIVSA-N 1 0 389.479 1.902 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccccc1OC1CC1 ZINC001574997447 950548643 /nfs/dbraw/zinc/54/86/43/950548643.db2.gz VIJFEWRSNCODTG-LBPRGKRZSA-N 1 0 381.440 1.644 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001574753918 950551333 /nfs/dbraw/zinc/55/13/33/950551333.db2.gz HTQLJZRVSJWESO-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)CCCOC1 ZINC001575614992 950565118 /nfs/dbraw/zinc/56/51/18/950565118.db2.gz YDABSRMTKMZLOD-XLSPSMHOSA-N 1 0 382.468 1.230 20 0 GDADRO CC(C)CCC(=O)N1CCC(O)(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001574171866 950569210 /nfs/dbraw/zinc/56/92/10/950569210.db2.gz VFFVRLPUIOZTPN-UHFFFAOYSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576206345 950569995 /nfs/dbraw/zinc/56/99/95/950569995.db2.gz WVJAHKWGAHXZNU-STQMWFEESA-N 1 0 375.452 1.654 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(F)ccc1F ZINC001574754678 950577040 /nfs/dbraw/zinc/57/70/40/950577040.db2.gz ODIPXTIBSNOXEK-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001574754846 950585631 /nfs/dbraw/zinc/58/56/31/950585631.db2.gz RIMMFJGQBRQQDD-LBPRGKRZSA-N 1 0 381.440 1.475 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc2c(c1)COC2 ZINC001574754845 950586840 /nfs/dbraw/zinc/58/68/40/950586840.db2.gz RIMMFJGQBRQQDD-GFCCVEGCSA-N 1 0 381.440 1.475 20 0 GDADRO CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575616576 950588798 /nfs/dbraw/zinc/58/87/98/950588798.db2.gz SAEWHXKHHQQCOK-HNNXBMFYSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[C@@H](C)n1ccnc1 ZINC001574512992 950592288 /nfs/dbraw/zinc/59/22/88/950592288.db2.gz FWHMKHLLWATDMI-CHWSQXEVSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575918777 950599556 /nfs/dbraw/zinc/59/95/56/950599556.db2.gz FAXZHTFPEZAUFK-SCLBCKFNSA-N 1 0 389.463 1.500 20 0 GDADRO CC1(C)C(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1(C)C ZINC001575617943 950605662 /nfs/dbraw/zinc/60/56/62/950605662.db2.gz DWSHTYHNIUBUNK-GFCCVEGCSA-N 1 0 390.463 1.255 20 0 GDADRO 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C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575922645 950649151 /nfs/dbraw/zinc/64/91/51/950649151.db2.gz ACACJFKECPTMDT-GWCFXTLKSA-N 1 0 380.412 1.264 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573873631 950653040 /nfs/dbraw/zinc/65/30/40/950653040.db2.gz VKVQSYQQRLTFBP-NNUKFRKNSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cccc2nc[nH]c21)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574760139 950656433 /nfs/dbraw/zinc/65/64/33/950656433.db2.gz UASOOJSFUHCEAS-ZDUSSCGKSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575002343 950661516 /nfs/dbraw/zinc/66/15/16/950661516.db2.gz SSFURYBWLBQVLQ-ZDUSSCGKSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]c2ncccc12 ZINC001575923572 950664461 /nfs/dbraw/zinc/66/44/61/950664461.db2.gz CEIYQRQDPSEKCF-NHYWBVRUSA-N 1 0 389.423 1.275 20 0 GDADRO C[C@H](CNC(=O)c1cc[nH]c(=O)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575005538 950688327 /nfs/dbraw/zinc/68/83/27/950688327.db2.gz HMYDRGXEJWAUBD-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccns1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574761702 950702331 /nfs/dbraw/zinc/70/23/31/950702331.db2.gz VNXDVGNFKQEFLZ-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cn2c(n1)CCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574762224 950705964 /nfs/dbraw/zinc/70/59/64/950705964.db2.gz XNERLBPLSSMQQC-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccns1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574762533 950710512 /nfs/dbraw/zinc/71/05/12/950710512.db2.gz YQXHWBBREKZWPC-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575926829 950724870 /nfs/dbraw/zinc/72/48/70/950724870.db2.gz MDGXSRHADFYNRW-GXFFZTMASA-N 1 0 386.847 1.391 20 0 GDADRO CC(C)CCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574181696 950747452 /nfs/dbraw/zinc/74/74/52/950747452.db2.gz ODFALITTWFISTI-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)CCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574181723 950749754 /nfs/dbraw/zinc/74/97/54/950749754.db2.gz OUFCLGYVCDLMDR-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)(C)c1ccc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nc1 ZINC001573882008 950765737 /nfs/dbraw/zinc/76/57/37/950765737.db2.gz NLHPQSJUXZJQJU-AWEZNQCLSA-N 1 0 392.467 1.703 20 0 GDADRO CC(C)n1cc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C)cn1 ZINC001575927987 950767053 /nfs/dbraw/zinc/76/70/53/950767053.db2.gz XARJDHXQQHQMKA-SWLSCSKDSA-N 1 0 381.444 1.176 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cscn1 ZINC001574521344 950775646 /nfs/dbraw/zinc/77/56/46/950775646.db2.gz FOMHNJUQPQHEAO-STQMWFEESA-N 1 0 385.497 1.939 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C1CCOCC1 ZINC001574521475 950778871 /nfs/dbraw/zinc/77/88/71/950778871.db2.gz GHDKVISDHJKAFR-STQMWFEESA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](C[N@H+](C)C[C@@H](O)C1CCCCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765293 950780884 /nfs/dbraw/zinc/78/08/84/950780884.db2.gz BKKHFMIXIHZIBV-BLLLJJGKSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574765278 950782223 /nfs/dbraw/zinc/78/22/23/950782223.db2.gz HBTVULZIMVLOMC-JTQLQIEISA-N 1 0 386.485 1.390 20 0 GDADRO C[C@H](CN(C)C(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574765718 950799394 /nfs/dbraw/zinc/79/93/94/950799394.db2.gz JXWIXUOHWLXEDW-SECBINFHSA-N 1 0 391.432 1.418 20 0 GDADRO CC1(C)CC(CC(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)C1 ZINC001575633285 950808905 /nfs/dbraw/zinc/80/89/05/950808905.db2.gz RFOJUVPIBFNITC-GASCZTMLSA-N 1 0 381.484 1.983 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CC(C)(C)O ZINC001574523483 950817047 /nfs/dbraw/zinc/81/70/47/950817047.db2.gz OBSZKYRLIIOJIC-NWDGAFQWSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C1(F)CCOCC1 ZINC001574523922 950839296 /nfs/dbraw/zinc/83/92/96/950839296.db2.gz SFPSHOSVQBSTQI-UONOGXRCSA-N 1 0 390.463 1.758 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CC(C)(C)O ZINC001574523995 950843938 /nfs/dbraw/zinc/84/39/38/950843938.db2.gz SUWMWKDKCXORMM-VXGBXAGGSA-N 1 0 378.452 1.540 20 0 GDADRO CC(C)(C)c1ocnc1C(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573887495 950843874 /nfs/dbraw/zinc/84/38/74/950843874.db2.gz FBSUSZZPGGNVQD-UHFFFAOYSA-N 1 0 387.419 1.811 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1CCOCC1 ZINC001574524194 950851658 /nfs/dbraw/zinc/85/16/58/950851658.db2.gz UTNGPNCIBLNUTE-RYUDHWBXSA-N 1 0 378.502 1.728 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CCCC1CCOCC1 ZINC001575011525 950862597 /nfs/dbraw/zinc/86/25/97/950862597.db2.gz QSPVYAYFMRVTEP-CYBMUJFWSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1cnoc1 ZINC001574524841 950873768 /nfs/dbraw/zinc/87/37/68/950873768.db2.gz ZQWHXPBWBXGIGS-NWDGAFQWSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1cnoc1 ZINC001574524865 950877153 /nfs/dbraw/zinc/87/71/53/950877153.db2.gz ZVLWUNNBYVCFLE-NWDGAFQWSA-N 1 0 387.419 1.609 20 0 GDADRO CC(C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001574189516 950888691 /nfs/dbraw/zinc/88/86/91/950888691.db2.gz MVEZTVDCPNNMDZ-ZWKOTPCHSA-N 1 0 386.500 1.744 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575641265 950912957 /nfs/dbraw/zinc/91/29/57/950912957.db2.gz CAQFCYJCFMIHIE-UGSOOPFHSA-N 1 0 390.513 1.417 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CCCCO1 ZINC001574771339 950915987 /nfs/dbraw/zinc/91/59/87/950915987.db2.gz BPWOKUFDKVLJFJ-MLGOLLRUSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](C[N@H+](C)CCc1ccc(F)c(F)c1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574771371 950917931 /nfs/dbraw/zinc/91/79/31/950917931.db2.gz CMBSBVPSOBOGGA-LLVKDONJSA-N 1 0 389.410 1.766 20 0 GDADRO C[C@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576228322 950938639 /nfs/dbraw/zinc/93/86/39/950938639.db2.gz HAFVNRDMWJSZSR-UONOGXRCSA-N 1 0 385.472 1.007 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cncn1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574529282 950947816 /nfs/dbraw/zinc/94/78/16/950947816.db2.gz PZUOGAMMPOXLLV-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1cccnn1 ZINC001574529402 950951767 /nfs/dbraw/zinc/95/17/67/950951767.db2.gz QPDFICCJZHFKRW-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576228754 950954042 /nfs/dbraw/zinc/95/40/42/950954042.db2.gz KQZJVDYCZLZXEI-IUODEOHRSA-N 1 0 390.463 1.351 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574529838 950960053 /nfs/dbraw/zinc/96/00/53/950960053.db2.gz AOBLEIUAJBZYOV-QWHCGFSZSA-N 1 0 381.440 1.654 20 0 GDADRO CC(C)CCC[NH+]1CC(N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001574194846 950963154 /nfs/dbraw/zinc/96/31/54/950963154.db2.gz CNFFHYMNEHDNFF-UHFFFAOYSA-N 1 0 386.504 1.073 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cc(F)ccc1Cl ZINC001575017037 950971552 /nfs/dbraw/zinc/97/15/52/950971552.db2.gz GJRMOGVQJVVRKG-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO CC(C)(CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001573898287 950974072 /nfs/dbraw/zinc/97/40/72/950974072.db2.gz YOIDTVNTNQJDLA-AWEZNQCLSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576230018 950983907 /nfs/dbraw/zinc/98/39/07/950983907.db2.gz KYNBAVBXHPZWGB-HIFRSBDPSA-N 1 0 384.488 1.252 20 0 GDADRO CC(C)CCC[NH+]1CC(N2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001574195461 950990148 /nfs/dbraw/zinc/99/01/48/950990148.db2.gz PEKFQCXOWWMYMC-UHFFFAOYSA-N 1 0 386.504 1.073 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(F)cc1Cl ZINC001575017452 950993783 /nfs/dbraw/zinc/99/37/83/950993783.db2.gz KKILIZRIFWFKJE-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574774009 950996077 /nfs/dbraw/zinc/99/60/77/950996077.db2.gz AZNXHGCXIBWNQG-KBPBESRZSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ncccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574530878 951005973 /nfs/dbraw/zinc/00/59/73/951005973.db2.gz YEUBZJQYBROHNN-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](CNC(=O)c1cccc(-c2nn[nH]n2)c1Br)[N@H+](C)C1CC1 ZINC001575026220 951140759 /nfs/dbraw/zinc/14/07/59/951140759.db2.gz GZROSUZOPDIQGK-SECBINFHSA-N 1 0 379.262 1.842 20 0 GDADRO C[C@H](CNC(=O)c1cccc(N2CCCC2)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575027941 951162382 /nfs/dbraw/zinc/16/23/82/951162382.db2.gz JGTJSTCVUDSOBE-CQSZACIVSA-N 1 0 392.467 1.514 20 0 GDADRO C[C@H](CNC(=O)c1cccnc1C(F)F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575031914 951210260 /nfs/dbraw/zinc/21/02/60/951210260.db2.gz LZLBOYBHMHQUPS-SNVBAGLBSA-N 1 0 388.382 1.849 20 0 GDADRO C[C@H](CNC(=O)c1cccnc1N(C)C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575032003 951211848 /nfs/dbraw/zinc/21/18/48/951211848.db2.gz NXFQSZLEKLZXTE-CYBMUJFWSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@@H](CNC(=O)c1cn2c(n1)CCC2)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575043291 951386730 /nfs/dbraw/zinc/38/67/30/951386730.db2.gz HUIVLXBROTYFTA-NSHDSACASA-N 1 0 384.419 1.057 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)o1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575043981 951408739 /nfs/dbraw/zinc/40/87/39/951408739.db2.gz NLBPMJHAEKEPSM-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1cncnc1C1CC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575045382 951425769 /nfs/dbraw/zinc/42/57/69/951425769.db2.gz BHJJCTBXKSSQDS-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575046205 951439093 /nfs/dbraw/zinc/43/90/93/951439093.db2.gz LAYKCQBYKLPROG-SNVBAGLBSA-N 1 0 389.822 1.962 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575052099 951459237 /nfs/dbraw/zinc/45/92/37/951459237.db2.gz DBOVCDSWHSPMDK-NSHDSACASA-N 1 0 386.485 1.758 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2-c2nn[nH]n2)cn1 ZINC001575052368 951461180 /nfs/dbraw/zinc/46/11/80/951461180.db2.gz HMGOIUMTHDWDMN-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](CNC(=O)c1cnn(C)c1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575052810 951472286 /nfs/dbraw/zinc/47/22/86/951472286.db2.gz OLGINQVGHIGSHZ-GFCCVEGCSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@@H](CNC(=O)c1cnsn1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575055053 951497339 /nfs/dbraw/zinc/49/73/39/951497339.db2.gz MOGKPRYLCBJZOI-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](CNC(=O)c1ncc(F)cc1F)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575060583 951543453 /nfs/dbraw/zinc/54/34/53/951543453.db2.gz AEWDKTULLPLSHY-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1occ2c1CCC2)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575065285 951581014 /nfs/dbraw/zinc/58/10/14/951581014.db2.gz FXBJKHJBOJYDEG-NSHDSACASA-N 1 0 384.415 1.996 20 0 GDADRO C[C@@H](CNC(=O)c1ncc2ccccn21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575065270 951582519 /nfs/dbraw/zinc/58/25/19/951582519.db2.gz BAKACHHNKOLXHP-ZDUSSCGKSA-N 1 0 376.424 1.423 20 0 GDADRO C[C@@H](CNC(=O)c1nccs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067188 951603804 /nfs/dbraw/zinc/60/38/04/951603804.db2.gz JUUKSEPHJKKJPX-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1occ2c1CCOC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575067349 951608076 /nfs/dbraw/zinc/60/80/76/951608076.db2.gz RLURERUGXKBFIY-GFCCVEGCSA-N 1 0 382.424 1.441 20 0 GDADRO C[C@H](CNC(=O)c1occ2c1CCOC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067552 951615363 /nfs/dbraw/zinc/61/53/63/951615363.db2.gz VFIJYZAEGCDGBN-GFCCVEGCSA-N 1 0 382.424 1.441 20 0 GDADRO C[C@@](C[NH2+]CC1CC(F)(F)C1)(NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001575077614 951672629 /nfs/dbraw/zinc/67/26/29/951672629.db2.gz GYYKKCYGTNUGTK-INIZCTEOSA-N 1 0 379.415 1.728 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCc1c[nH]cn1 ZINC001575079081 951687750 /nfs/dbraw/zinc/68/77/50/951687750.db2.gz PQARVRRGZCRTOX-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@@H](CNC(=O)c1cncs1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079341 951690418 /nfs/dbraw/zinc/69/04/18/951690418.db2.gz CZFBMFGBFXIAKK-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1cccnc1 ZINC001575079573 951694979 /nfs/dbraw/zinc/69/49/79/951694979.db2.gz RNUGWFVIQKCKOE-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC1OCCCO1 ZINC001575079906 951699661 /nfs/dbraw/zinc/69/96/61/951699661.db2.gz STVMFEZLPNFODC-GFCCVEGCSA-N 1 0 392.435 1.095 20 0 GDADRO C[C@@](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575080249 951706709 /nfs/dbraw/zinc/70/67/09/951706709.db2.gz QNKLBCDVOFQVFM-YJYMSZOUSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575080671 951712146 /nfs/dbraw/zinc/71/21/46/951712146.db2.gz MODGZYZMDYNVEJ-OLZOCXBDSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cc1cscn1 ZINC001575081145 951719760 /nfs/dbraw/zinc/71/97/60/951719760.db2.gz ORMPQKBCCQFDNF-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H](CNC(=O)CCc1cccnc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088570 951740965 /nfs/dbraw/zinc/74/09/65/951740965.db2.gz BPARMIOSWDRSIY-OAHLLOKOSA-N 1 0 379.468 1.736 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089340 951748732 /nfs/dbraw/zinc/74/87/32/951748732.db2.gz GGKZYHJWEDHQTC-LTUQZUHASA-N 1 0 382.468 1.132 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CCc1c[nH]cn1 ZINC001575090291 951759898 /nfs/dbraw/zinc/75/98/98/951759898.db2.gz KHGDZDHSSIGUSO-GFCCVEGCSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001575091198 951772529 /nfs/dbraw/zinc/77/25/29/951772529.db2.gz QDWQWOZFSRDCCP-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ncccc1F ZINC001575091408 951775107 /nfs/dbraw/zinc/77/51/07/951775107.db2.gz QPMMVUQFQDMMHR-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H](C)n1cccn1 ZINC001575091802 951783958 /nfs/dbraw/zinc/78/39/58/951783958.db2.gz USOXMJKTKRGLHK-STQMWFEESA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](CNC(=O)CCc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092031 951788465 /nfs/dbraw/zinc/78/84/65/951788465.db2.gz YGKGHXHPHAPGRQ-AWEZNQCLSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001575093027 951796362 /nfs/dbraw/zinc/79/63/62/951796362.db2.gz HEISEDKIADVDML-WMLDXEAASA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1cncn1C ZINC001575093841 951802376 /nfs/dbraw/zinc/80/23/76/951802376.db2.gz LDPGLZZAQUBLCS-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@H](CNC(=O)c1cnc2ccccn21)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094416 951804661 /nfs/dbraw/zinc/80/46/61/951804661.db2.gz NIGZSPMYVOFCLA-AWEZNQCLSA-N 1 0 390.451 1.670 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C(F)F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095113 951808541 /nfs/dbraw/zinc/80/85/41/951808541.db2.gz RVNJIRNJIXEAGJ-SNVBAGLBSA-N 1 0 391.382 1.948 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095559 951812618 /nfs/dbraw/zinc/81/26/18/951812618.db2.gz VGBUOWNGTDDKDF-SNVBAGLBSA-N 1 0 390.398 1.683 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575095974 951817641 /nfs/dbraw/zinc/81/76/41/951817641.db2.gz XUAATEQDEVIVPV-LBPRGKRZSA-N 1 0 380.456 1.623 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001575098423 951823195 /nfs/dbraw/zinc/82/31/95/951823195.db2.gz CPKLEWGXVFPDSN-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)o1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099268 951830830 /nfs/dbraw/zinc/83/08/30/951830830.db2.gz JMHVIBXQNSAUJC-SNVBAGLBSA-N 1 0 387.469 1.949 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C1(F)CCOCC1 ZINC001575099361 951833512 /nfs/dbraw/zinc/83/35/12/951833512.db2.gz KOWGVBYLQMUOAR-NSHDSACASA-N 1 0 382.465 1.383 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)on1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100803 951846787 /nfs/dbraw/zinc/84/67/87/951846787.db2.gz VKDKSQYBSHAIOY-JTQLQIEISA-N 1 0 387.469 1.949 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)COC(C)(C)C ZINC001575105443 951893559 /nfs/dbraw/zinc/89/35/59/951893559.db2.gz JQRLHXVWOHEVMR-LBPRGKRZSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105911 951901745 /nfs/dbraw/zinc/90/17/45/951901745.db2.gz PPMMBBWKHWULJH-KUHUBIRLSA-N 1 0 392.463 1.712 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cc1ccon1)C1CC1 ZINC001575106595 951905365 /nfs/dbraw/zinc/90/53/65/951905365.db2.gz STOHEZVKVRSHAV-IBGZPJMESA-N 1 0 381.440 1.472 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc2ncccc2c1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575106550 951905867 /nfs/dbraw/zinc/90/58/67/951905867.db2.gz SAMIPGTWYCJYNR-ZDUSSCGKSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575107033 951911671 /nfs/dbraw/zinc/91/16/71/951911671.db2.gz XPRWLNNFFDQVMG-GFCCVEGCSA-N 1 0 378.440 1.926 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1cncn1C ZINC001575107172 951914899 /nfs/dbraw/zinc/91/48/99/951914899.db2.gz ALYINPPHODRVHX-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnc(C2CC2)o1 ZINC001575108763 951926870 /nfs/dbraw/zinc/92/68/70/951926870.db2.gz NGTBNZLCEKNOBP-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575109217 951927709 /nfs/dbraw/zinc/92/77/09/951927709.db2.gz PLAKEKKJQWOQHW-NSHDSACASA-N 1 0 390.398 1.709 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001575109221 951928274 /nfs/dbraw/zinc/92/82/74/951928274.db2.gz PQFYVLYLXJYNOG-ZDUSSCGKSA-N 1 0 382.472 1.504 20 0 GDADRO CC(C)n1ccc(C(=O)N(C)[C@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001575109748 951933861 /nfs/dbraw/zinc/93/38/61/951933861.db2.gz UTTBCDGXSPVFIW-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)C1(c2ccccn2)CC1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113778 951945392 /nfs/dbraw/zinc/94/53/92/951945392.db2.gz FXXGHYCEWXPWOW-OAHLLOKOSA-N 1 0 391.479 1.835 20 0 GDADRO C[C@H](CNC(=O)C[C@H](C)n1ccnc1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113742 951945711 /nfs/dbraw/zinc/94/57/11/951945711.db2.gz FGFMQIUWLUUKIS-GJZGRUSLSA-N 1 0 382.472 1.556 20 0 GDADRO C[C@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575116505 951970236 /nfs/dbraw/zinc/97/02/36/951970236.db2.gz CZNLJMYAWXCEHF-GFCCVEGCSA-N 1 0 385.476 1.397 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1csc(Cl)n1 ZINC001575119285 951987368 /nfs/dbraw/zinc/98/73/68/951987368.db2.gz WMHNULSZNDHDGF-MRVPVSSYSA-N 1 0 380.865 1.460 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575143616 952154620 /nfs/dbraw/zinc/15/46/20/952154620.db2.gz BOCLYIKOXKXGRZ-IBGZPJMESA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575145637 952187326 /nfs/dbraw/zinc/18/73/26/952187326.db2.gz BTMMMEBDSDCRQT-JTQLQIEISA-N 1 0 384.469 1.590 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575145658 952188254 /nfs/dbraw/zinc/18/82/54/952188254.db2.gz CHFINQLYPDZTPU-ZIAGYGMSSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575145847 952188804 /nfs/dbraw/zinc/18/88/04/952188804.db2.gz DLDWMFOLNHFMLC-QMMMGPOBSA-N 1 0 378.849 1.366 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cccc2nc[nH]c21 ZINC001575146026 952189910 /nfs/dbraw/zinc/18/99/10/952189910.db2.gz GGLIHSIZGMRUBO-LLVKDONJSA-N 1 0 377.412 1.133 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCOc1ccccc1 ZINC001575145872 952190057 /nfs/dbraw/zinc/19/00/57/952190057.db2.gz FEPIWGHYCREMAE-AWEZNQCLSA-N 1 0 381.440 1.412 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001575153373 952207998 /nfs/dbraw/zinc/20/79/98/952207998.db2.gz GSKXPPQZNXRLKM-UKRRQHHQSA-N 1 0 387.492 1.178 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)c1cscn1 ZINC001571117092 952479585 /nfs/dbraw/zinc/47/95/85/952479585.db2.gz GUYRLDKCAMPQFI-NXEZZACHSA-N 1 0 375.483 1.778 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575197275 952481433 /nfs/dbraw/zinc/48/14/33/952481433.db2.gz RNBCVEOGPOMSJD-IYXRBSQSSA-N 1 0 381.440 1.462 20 0 GDADRO CC[C@H](F)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001571117357 952482031 /nfs/dbraw/zinc/48/20/31/952482031.db2.gz KCHCUPDXUJVCJU-MHEUCROKSA-N 1 0 375.452 1.916 20 0 GDADRO CC(C)[C@H](C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571117991 952485742 /nfs/dbraw/zinc/48/57/42/952485742.db2.gz RRLNCGPLJOFYTM-MLGOLLRUSA-N 1 0 375.452 1.605 20 0 GDADRO Cc1cccc(C(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)c1 ZINC001571118009 952485857 /nfs/dbraw/zinc/48/58/57/952485857.db2.gz RVAYSXMBLIHJDM-IYBDPMFKSA-N 1 0 375.436 1.779 20 0 GDADRO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncccc2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571119728 952494199 /nfs/dbraw/zinc/49/41/99/952494199.db2.gz FDVBVCYUECYIPZ-HALDLXJZSA-N 1 0 376.424 1.138 20 0 GDADRO CN(C(=O)[C@H]1CC1(F)F)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571120462 952503302 /nfs/dbraw/zinc/50/33/02/952503302.db2.gz NFIUCKVJMKSUQH-OAHLLOKOSA-N 1 0 376.411 1.945 20 0 GDADRO CC1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC(F)(F)C1 ZINC001571120697 952506395 /nfs/dbraw/zinc/50/63/95/952506395.db2.gz PQVYYHKKGBINTQ-AWEZNQCLSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575201777 952506664 /nfs/dbraw/zinc/50/66/64/952506664.db2.gz QFEKQCIISAUOOP-ZIAGYGMSSA-N 1 0 382.472 1.405 20 0 GDADRO CCN(C(=O)[C@H]1CC1(F)F)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571121061 952514380 /nfs/dbraw/zinc/51/43/80/952514380.db2.gz VRKYHDRDYWUTBU-LSDHHAIUSA-N 1 0 376.411 1.945 20 0 GDADRO C[C@@]1(NC(=O)[C@H]2CCC2(F)F)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571121349 952519253 /nfs/dbraw/zinc/51/92/53/952519253.db2.gz YZGFHJKLFGIHNZ-RHSMWYFYSA-N 1 0 376.411 1.993 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)c1cncnc1 ZINC001571122331 952524921 /nfs/dbraw/zinc/52/49/21/952524921.db2.gz ISIPKCBIQNGMGQ-IKGGRYGDSA-N 1 0 376.424 1.192 20 0 GDADRO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571122779 952526242 /nfs/dbraw/zinc/52/62/42/952526242.db2.gz KWRCZNXTNOXCRT-BNOWGMLFSA-N 1 0 376.486 1.434 20 0 GDADRO CO[C@@H](C)C(=O)N1CCC[C@H]1CN(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571123106 952527887 /nfs/dbraw/zinc/52/78/87/952527887.db2.gz OXDGAMBPDCTLKT-WFASDCNBSA-N 1 0 376.436 1.464 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](F)C(C)C)C2)cc1-c1nn[nH]n1 ZINC001571123413 952530162 /nfs/dbraw/zinc/53/01/62/952530162.db2.gz RNASIROPVCMCGH-CZUORRHYSA-N 1 0 376.436 1.560 20 0 GDADRO CC[C@@H](F)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571123671 952531312 /nfs/dbraw/zinc/53/13/12/952531312.db2.gz UAYFCSADHNUXGS-GDBMZVCRSA-N 1 0 376.436 1.322 20 0 GDADRO CC(F)(F)C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC001575211599 952548397 /nfs/dbraw/zinc/54/83/97/952548397.db2.gz VYVIPVPGIGCIAH-UHFFFAOYSA-N 1 0 380.399 1.277 20 0 GDADRO Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C)c1 ZINC001571127205 952551318 /nfs/dbraw/zinc/55/13/18/952551318.db2.gz BIGFBJRGOIAZHA-KDOFPFPSSA-N 1 0 377.452 1.963 20 0 GDADRO Cc1ccccc1CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001571127266 952552965 /nfs/dbraw/zinc/55/29/65/952552965.db2.gz CLHLVXZLOBIAEK-GOEBONIOSA-N 1 0 377.452 1.636 20 0 GDADRO Cc1cncc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001571133994 952583708 /nfs/dbraw/zinc/58/37/08/952583708.db2.gz ATCVQCLUZKLHEY-CZUORRHYSA-N 1 0 378.440 1.398 20 0 GDADRO Cc1cnc(C(=O)NC2CC(C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571134489 952590530 /nfs/dbraw/zinc/59/05/30/952590530.db2.gz IXDCSYSXSSUHGR-UHFFFAOYSA-N 1 0 378.440 1.263 20 0 GDADRO CCN(C(=O)c1ccnnc1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571134571 952591743 /nfs/dbraw/zinc/59/17/43/952591743.db2.gz HFQDMMIUNIXYGE-KRWDZBQOSA-N 1 0 378.440 1.393 20 0 GDADRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)nn1 ZINC001571134645 952592913 /nfs/dbraw/zinc/59/29/13/952592913.db2.gz JDEWYHRAHPSPQW-WKILWMFISA-N 1 0 378.440 1.324 20 0 GDADRO Cc1cnc(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)cn1 ZINC001571134701 952593721 /nfs/dbraw/zinc/59/37/21/952593721.db2.gz LZRKZNXEPMIMSC-CZUORRHYSA-N 1 0 378.440 1.358 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccn1 ZINC001571135101 952599388 /nfs/dbraw/zinc/59/93/88/952599388.db2.gz PEYAASXIZODQMV-CJNGLKHVSA-N 1 0 378.440 1.440 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135313 952602948 /nfs/dbraw/zinc/60/29/48/952602948.db2.gz VOFMNMODWGAOER-ZDUSSCGKSA-N 1 0 378.440 1.135 20 0 GDADRO Cc1cc(N[C@@H]2CC[C@H](CNC(=O)c3ccncc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135447 952603327 /nfs/dbraw/zinc/60/33/27/952603327.db2.gz XTCKSTRTTYBRBN-DZGCQCFKSA-N 1 0 378.440 1.398 20 0 GDADRO Cc1cncc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)c1 ZINC001571135407 952603918 /nfs/dbraw/zinc/60/39/18/952603918.db2.gz WWIWMTIOUVJILE-CZUORRHYSA-N 1 0 378.440 1.350 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001571139676 952621006 /nfs/dbraw/zinc/62/10/06/952621006.db2.gz KMCZQXBNWUUJEH-WZRBSPASSA-N 1 0 379.415 1.823 20 0 GDADRO O=C(CC[NH+]1CCC(c2ncccn2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001571142310 952640055 /nfs/dbraw/zinc/64/00/55/952640055.db2.gz OUYUUSJHLNAUBT-UHFFFAOYSA-N 1 0 378.440 1.865 20 0 GDADRO O=C(NCc1ccc(CNc2cc[nH+]cc2-c2nn[nH]n2)cc1)[C@@H]1CCCO1 ZINC001571142586 952644308 /nfs/dbraw/zinc/64/43/08/952644308.db2.gz XNPKCDRJCLMHOJ-KRWDZBQOSA-N 1 0 379.424 1.091 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2cnccn2)CCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571147506 952662813 /nfs/dbraw/zinc/66/28/13/952662813.db2.gz MLDYFFWQAPPGDN-DZGCQCFKSA-N 1 0 379.428 1.147 20 0 GDADRO O=C(c1ccc(=O)[nH]c1)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571147828 952664628 /nfs/dbraw/zinc/66/46/28/952664628.db2.gz QVBFAQYHQVZIKT-CYBMUJFWSA-N 1 0 379.424 1.219 20 0 GDADRO O=C(c1ccon1)N1CCC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571147817 952664688 /nfs/dbraw/zinc/66/46/88/952664688.db2.gz QORRDOGDKKRBAJ-DOTOQJQBSA-N 1 0 379.424 1.591 20 0 GDADRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1C ZINC001571150483 952668857 /nfs/dbraw/zinc/66/88/57/952668857.db2.gz BSCLGAMXFLYLKP-KRWDZBQOSA-N 1 0 379.468 1.860 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H]2CN(C)c2cc[nH+]cc2-c2nn[nH]n2)cnn1 ZINC001571156028 952701324 /nfs/dbraw/zinc/70/13/24/952701324.db2.gz BASWSGBXJKNMJK-AWEZNQCLSA-N 1 0 379.428 1.101 20 0 GDADRO Cc1cc(N(C)C[C@H]2CCCN2C(=O)c2cncnc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571156734 952704735 /nfs/dbraw/zinc/70/47/35/952704735.db2.gz IEYKYRURZACWJT-CQSZACIVSA-N 1 0 379.428 1.101 20 0 GDADRO Cc1ccnc(C(=O)N(C)C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001571158887 952714460 /nfs/dbraw/zinc/71/44/60/952714460.db2.gz TUWJHJJRJZNIRI-UHFFFAOYSA-N 1 0 379.428 1.101 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165668 952753128 /nfs/dbraw/zinc/75/31/28/952753128.db2.gz HKJIGMRTBNZHFX-CZUORRHYSA-N 1 0 380.456 1.017 20 0 GDADRO CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571165847 952756243 /nfs/dbraw/zinc/75/62/43/952756243.db2.gz HNXHHFOSVXHICP-DLBZAZTESA-N 1 0 380.456 1.094 20 0 GDADRO CCn1cnc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571169341 952772485 /nfs/dbraw/zinc/77/24/85/952772485.db2.gz ACYVNVOAQACLGS-OAHLLOKOSA-N 1 0 380.456 1.478 20 0 GDADRO Cn1cnc(C(=O)N2CC[C@H](C[N@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571169513 952774597 /nfs/dbraw/zinc/77/45/97/952774597.db2.gz FLGYXSJEOPCCPY-CQSZACIVSA-N 1 0 380.456 1.194 20 0 GDADRO CCn1cc(CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571169506 952775127 /nfs/dbraw/zinc/77/51/27/952775127.db2.gz FENOHVGJHLKFIX-KRWDZBQOSA-N 1 0 380.456 1.016 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571169567 952775983 /nfs/dbraw/zinc/77/59/83/952775983.db2.gz GVTDAGDFOSUTRQ-LRDDRELGSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1nc(C)c(C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)[nH]1 ZINC001571169604 952776326 /nfs/dbraw/zinc/77/63/26/952776326.db2.gz HPOZCUBFUXRWQB-UHFFFAOYSA-N 1 0 380.456 1.601 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC001571169880 952780791 /nfs/dbraw/zinc/78/07/91/952780791.db2.gz PSBMOJSWOZAHHY-BBRMVZONSA-N 1 0 380.456 1.681 20 0 GDADRO Cn1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571170041 952782982 /nfs/dbraw/zinc/78/29/82/952782982.db2.gz RBTXBDJDMOKICR-KRWDZBQOSA-N 1 0 380.456 1.337 20 0 GDADRO Cc1c(C(=O)NC[C@@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)ccn1C ZINC001571170040 952783171 /nfs/dbraw/zinc/78/31/71/952783171.db2.gz RBJAEUWLYSAMFG-HDJSIYSDSA-N 1 0 380.456 1.259 20 0 GDADRO Cc1ccncc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 ZINC001571170128 952784064 /nfs/dbraw/zinc/78/40/64/952784064.db2.gz TVVZTVQKTMRHOB-UKRRQHHQSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1nc(C)c(C(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)[nH]1 ZINC001571170444 952786157 /nfs/dbraw/zinc/78/61/57/952786157.db2.gz UQBOQPMESRMJFD-BZNIZROVSA-N 1 0 380.456 1.599 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571170837 952789498 /nfs/dbraw/zinc/78/94/98/952789498.db2.gz XKMULQVTQIDCIV-GOEBONIOSA-N 1 0 380.456 1.587 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571170857 952789725 /nfs/dbraw/zinc/78/97/25/952789725.db2.gz XUOBEIWMDKPHAR-HUUCEWRRSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1ccncc1C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571170936 952790226 /nfs/dbraw/zinc/79/02/26/952790226.db2.gz ZWRVTMFLKLFOGC-CQSZACIVSA-N 1 0 380.456 1.540 20 0 GDADRO Cc1cncc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571170932 952790537 /nfs/dbraw/zinc/79/05/37/952790537.db2.gz ZWOXKIXSVDNIGV-OAHLLOKOSA-N 1 0 380.456 1.635 20 0 GDADRO Cn1cncc1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172351 952805158 /nfs/dbraw/zinc/80/51/58/952805158.db2.gz SZFWXDSTICBONA-CQSZACIVSA-N 1 0 380.456 1.242 20 0 GDADRO Cc1ccc(F)cc1C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571178175 952835875 /nfs/dbraw/zinc/83/58/75/952835875.db2.gz ALDKGYJEUFXBBV-ZDUSSCGKSA-N 1 0 381.415 1.966 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571178384 952840053 /nfs/dbraw/zinc/84/00/53/952840053.db2.gz HJNMVFVBBPJVQW-YVEFUNNKSA-N 1 0 381.415 1.651 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571178574 952843461 /nfs/dbraw/zinc/84/34/61/952843461.db2.gz NJNUAYPFSGKIPZ-SJKOYZFVSA-N 1 0 381.415 1.651 20 0 GDADRO C[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571178872 952849436 /nfs/dbraw/zinc/84/94/36/952849436.db2.gz WWBWIDJAPASZMN-SJCJKPOMSA-N 1 0 381.415 1.651 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1ccncc1 ZINC001571178867 952849676 /nfs/dbraw/zinc/84/96/76/952849676.db2.gz WVMOEPCWQQCZDP-BLLLJJGKSA-N 1 0 381.415 1.794 20 0 GDADRO CN(C[C@@H]1CCN(C(=O)c2ccccc2F)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571178948 952851156 /nfs/dbraw/zinc/85/11/56/952851156.db2.gz YSWDQWXGDILJNY-ZDUSSCGKSA-N 1 0 381.415 1.999 20 0 GDADRO Cc1cc(NC[C@@H]2CCC[C@H]2NC(=O)Cc2ccoc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180272 952858703 /nfs/dbraw/zinc/85/87/03/952858703.db2.gz OFECGVOMVLZKNH-GOEBONIOSA-N 1 0 381.440 1.525 20 0 GDADRO Cc1nocc1C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571180276 952859552 /nfs/dbraw/zinc/85/95/52/952859552.db2.gz OHRJFVYJFYIYNH-DOTOQJQBSA-N 1 0 381.440 1.851 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571181764 952866666 /nfs/dbraw/zinc/86/66/66/952866666.db2.gz YDFBXXTXDQWMAX-MRXNPFEDSA-N 1 0 381.440 1.082 20 0 GDADRO CC(C)c1ocnc1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571183170 952874356 /nfs/dbraw/zinc/87/43/56/952874356.db2.gz QZGHCYHTCZONIK-HNNXBMFYSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571183211 952875026 /nfs/dbraw/zinc/87/50/26/952875026.db2.gz SQXQENDRBMXHQF-LRDDRELGSA-N 1 0 381.440 1.080 20 0 GDADRO CCc1ocnc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571183224 952875353 /nfs/dbraw/zinc/87/53/53/952875353.db2.gz TWBIWHHMQNZFQQ-XBXGTLAGSA-N 1 0 381.440 1.715 20 0 GDADRO COC[C@@H](C)[N@@H+]1Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2C1 ZINC001571183290 952876184 /nfs/dbraw/zinc/87/61/84/952876184.db2.gz VZQFLICAEORPEB-GFCCVEGCSA-N 1 0 381.440 1.475 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cncc(F)c1 ZINC001571183303 952876854 /nfs/dbraw/zinc/87/68/54/952876854.db2.gz WGGWTUKINGMCHA-INIZCTEOSA-N 1 0 381.415 1.795 20 0 GDADRO CCc1nc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c(C)o1 ZINC001571183417 952878061 /nfs/dbraw/zinc/87/80/61/952878061.db2.gz ZVODBSQURGEKIC-HNNXBMFYSA-N 1 0 381.440 1.730 20 0 GDADRO Cc1cc(N2CCCC[C@@H]2CNC(=O)c2cn(C)cn2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571187674 952909120 /nfs/dbraw/zinc/90/91/20/952909120.db2.gz ANBIGVDYYIFNGM-CYBMUJFWSA-N 1 0 381.444 1.093 20 0 GDADRO C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571195475 952976502 /nfs/dbraw/zinc/97/65/02/952976502.db2.gz AHCNXFQKAKDIOK-ZDUSSCGKSA-N 1 0 382.403 1.142 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccnnc1 ZINC001571195999 952978778 /nfs/dbraw/zinc/97/87/78/952978778.db2.gz GOHBBORWKWIBKE-BDJLRTHQSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccnnc1 ZINC001571196006 952979488 /nfs/dbraw/zinc/97/94/88/952979488.db2.gz GOHBBORWKWIBKE-ZBEGNZNMSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571196189 952980675 /nfs/dbraw/zinc/98/06/75/952980675.db2.gz IQEYSGSSGHHUAV-BZNIZROVSA-N 1 0 382.403 1.046 20 0 GDADRO C[C@@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)c2cncc(F)c2)C1 ZINC001571196969 952986456 /nfs/dbraw/zinc/98/64/56/952986456.db2.gz QXNOWAIFOJKHCJ-SFHVURJKSA-N 1 0 382.403 1.182 20 0 GDADRO CCc1nc(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)co1 ZINC001571199459 952999353 /nfs/dbraw/zinc/99/93/53/952999353.db2.gz RTPDYHHGIZXGSG-LBPRGKRZSA-N 1 0 382.428 1.471 20 0 GDADRO C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccon1 ZINC001571199777 953004151 /nfs/dbraw/zinc/00/41/51/953004151.db2.gz BRKFMVMZYVHCNN-JSGCOSHPSA-N 1 0 382.428 1.096 20 0 GDADRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccco3)C2)cc1-c1nn[nH]n1 ZINC001571199982 953006888 /nfs/dbraw/zinc/00/68/88/953006888.db2.gz GBZAESVOHVAYTB-CQSZACIVSA-N 1 0 382.424 1.863 20 0 GDADRO Cc1conc1C(=O)N1CC[C@](C)(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571200185 953007872 /nfs/dbraw/zinc/00/78/72/953007872.db2.gz BOTUFLYWYBZRAW-GOSISDBHSA-N 1 0 382.428 1.253 20 0 GDADRO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571201093 953015301 /nfs/dbraw/zinc/01/53/01/953015301.db2.gz JQVITKFTBSKNIG-JKSUJKDBSA-N 1 0 382.428 1.370 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CN(C(=O)c2ccco2)CCO1 ZINC001571202523 953027171 /nfs/dbraw/zinc/02/71/71/953027171.db2.gz ZZVBHXCKKTXYHT-CXAGYDPISA-N 1 0 382.424 1.479 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@@H](N(C)c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)co1 ZINC001571202785 953029241 /nfs/dbraw/zinc/02/92/41/953029241.db2.gz YSKLHHOCCQTDDI-CYBMUJFWSA-N 1 0 382.428 1.608 20 0 GDADRO Cc1conc1C(=O)N1CCCC[C@H]1[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571202847 953029345 /nfs/dbraw/zinc/02/93/45/953029345.db2.gz ZNKXBDQNALTQTB-DOMZBBRYSA-N 1 0 382.428 1.475 20 0 GDADRO O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571209797 953068044 /nfs/dbraw/zinc/06/80/44/953068044.db2.gz FFRXHLCYTNHROP-DZJNRPSUSA-N 1 0 382.468 1.230 20 0 GDADRO O=C(N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ncsc1C1CC1 ZINC001571209898 953069025 /nfs/dbraw/zinc/06/90/25/953069025.db2.gz HZFORWFRGOWABK-XYPYZODXSA-N 1 0 382.453 1.390 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(C(=O)C2=CCOCC2)C1 ZINC001571210365 953071266 /nfs/dbraw/zinc/07/12/66/953071266.db2.gz PTLCWFKPQOEEGM-SFHVURJKSA-N 1 0 382.468 1.636 20 0 GDADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@]12C[C@H]1COC2 ZINC001571210555 953071873 /nfs/dbraw/zinc/07/18/73/953071873.db2.gz SDAHWTNFEIFDMX-YRNRMSPPSA-N 1 0 382.468 1.374 20 0 GDADRO O=C(N[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2)c1ccns1 ZINC001571210637 953072968 /nfs/dbraw/zinc/07/29/68/953072968.db2.gz VCXDYUQRBBQSKK-UONOGXRCSA-N 1 0 382.453 1.293 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001571210629 953073269 /nfs/dbraw/zinc/07/32/69/953073269.db2.gz UYEPMOUGCVNZSK-ZVGAHRMSSA-N 1 0 382.468 1.086 20 0 GDADRO O=C(c1cc[nH]c(=O)c1)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571217836 953111070 /nfs/dbraw/zinc/11/10/70/953111070.db2.gz PUWWZDJOLSKKDU-AWEZNQCLSA-N 1 0 383.387 1.111 20 0 GDADRO O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)C12CCC[NH+](CCC1)C2 ZINC001571218099 953112966 /nfs/dbraw/zinc/11/29/66/953112966.db2.gz LTSXCQFQWFOKRL-SHTZXODSSA-N 1 0 382.472 1.197 20 0 GDADRO Cn1ccc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)c1 ZINC001571229533 953170787 /nfs/dbraw/zinc/17/07/87/953170787.db2.gz HUQGZEPGAOWWLM-INIZCTEOSA-N 1 0 383.431 1.739 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]CCc1ccccc1F ZINC001571229732 953171310 /nfs/dbraw/zinc/17/13/10/953171310.db2.gz LJHPMFPUVSWTBF-YVEFUNNKSA-N 1 0 383.431 1.627 20 0 GDADRO CCn1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571233250 953190924 /nfs/dbraw/zinc/19/09/24/953190924.db2.gz PYWHJDNNDWTQDF-STQMWFEESA-N 1 0 383.460 1.052 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)C3=COCCC3)[C@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233373 953192200 /nfs/dbraw/zinc/19/22/00/953192200.db2.gz SZTYGCJBZYLTIH-UKRRQHHQSA-N 1 0 383.456 1.478 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C)n1 ZINC001571233665 953194274 /nfs/dbraw/zinc/19/42/74/953194274.db2.gz ZTZFXUDBDNDEHR-SWLSCSKDSA-N 1 0 383.460 1.365 20 0 GDADRO Cc1ncsc1C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571233792 953196032 /nfs/dbraw/zinc/19/60/32/953196032.db2.gz DEKKJDGWBDERTR-UHFFFAOYSA-N 1 0 383.481 1.930 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001571233993 953197319 /nfs/dbraw/zinc/19/73/19/953197319.db2.gz JWOXFTVQKWPKTL-OCCSQVGLSA-N 1 0 383.481 1.817 20 0 GDADRO Cc1ncccc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571234281 953200247 /nfs/dbraw/zinc/20/02/47/953200247.db2.gz SDQNLNUQJYWWIN-BETUJISGSA-N 1 0 383.481 1.930 20 0 GDADRO CCc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571234473 953202275 /nfs/dbraw/zinc/20/22/75/953202275.db2.gz ZADPBNHBTTXDPY-CQSZACIVSA-N 1 0 383.481 1.890 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)s1 ZINC001571234434 953202326 /nfs/dbraw/zinc/20/23/26/953202326.db2.gz XKPPDWUSSNOZKA-OAHLLOKOSA-N 1 0 383.481 1.978 20 0 GDADRO O=C(Cc1ccco1)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239055 953235979 /nfs/dbraw/zinc/23/59/79/953235979.db2.gz FNFCXFGXLULMDY-UHFFFAOYSA-N 1 0 384.415 1.826 20 0 GDADRO CN(C(=O)c1ccnn1C)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571240065 953245655 /nfs/dbraw/zinc/24/56/55/953245655.db2.gz YWWCFSRGUZHUAO-UHFFFAOYSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1cn(C)cn1 ZINC001571240092 953246829 /nfs/dbraw/zinc/24/68/29/953246829.db2.gz ZMHHWZKGGRWXIF-SMDDNHRTSA-N 1 0 384.419 1.132 20 0 GDADRO O=C(N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cn[nH]c1 ZINC001571241521 953247629 /nfs/dbraw/zinc/24/76/29/953247629.db2.gz BWHFZKQRKPJROA-LRDDRELGSA-N 1 0 384.419 1.417 20 0 GDADRO Cn1cnc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC001571241700 953248927 /nfs/dbraw/zinc/24/89/27/953248927.db2.gz JBVDFEJPHVGPOO-AWEZNQCLSA-N 1 0 384.419 1.134 20 0 GDADRO O=C(c1cn[nH]c1)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001571241778 953249661 /nfs/dbraw/zinc/24/96/61/953249661.db2.gz LGJIVPZNMJETNV-UHFFFAOYSA-N 1 0 384.419 1.371 20 0 GDADRO Cc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)[C@@H]2C)[nH]1 ZINC001571242040 953252502 /nfs/dbraw/zinc/25/25/02/953252502.db2.gz UAPSWMIVWIWGNV-BMIGLBTASA-N 1 0 384.419 1.430 20 0 GDADRO CCc1onc(C)c1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C ZINC001571242411 953256179 /nfs/dbraw/zinc/25/61/79/953256179.db2.gz FSVIHPSRTAGKGF-FZMZJTMJSA-N 1 0 384.444 1.446 20 0 GDADRO CCc1cnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571242645 953258781 /nfs/dbraw/zinc/25/87/81/953258781.db2.gz KXOJHHRALJLKEM-OLZOCXBDSA-N 1 0 384.444 1.576 20 0 GDADRO CCc1cnc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571243083 953262784 /nfs/dbraw/zinc/26/27/84/953262784.db2.gz VIMFKPFPARWBLC-YPMHNXCESA-N 1 0 384.444 1.434 20 0 GDADRO Cc1cc(N(C)[C@@H]2CCCN(C(=O)c3ccsn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571244738 953266543 /nfs/dbraw/zinc/26/65/43/953266543.db2.gz HALPBFPBLLQIML-GFCCVEGCSA-N 1 0 384.469 1.768 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)C1CCCC1 ZINC001571245395 953272952 /nfs/dbraw/zinc/27/29/52/953272952.db2.gz HLNWZEVQZUNRNX-OSYLJGHBSA-N 1 0 384.459 1.990 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cnn1 ZINC001571245419 953272982 /nfs/dbraw/zinc/27/29/82/953272982.db2.gz SLLRHGQBGKBAHN-LBPRGKRZSA-N 1 0 384.469 1.279 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571245552 953274255 /nfs/dbraw/zinc/27/42/55/953274255.db2.gz VGJZIUIETIZUOH-BXUZGUMPSA-N 1 0 384.469 1.216 20 0 GDADRO Cc1cc(NC[C@H]2CCCN2C(=O)Cc2cscn2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571245529 953274570 /nfs/dbraw/zinc/27/45/70/953274570.db2.gz UMNRXGYDYKHXEL-CYBMUJFWSA-N 1 0 384.469 1.094 20 0 GDADRO Cc1ncoc1C[NH2+]C1CCC(N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571247639 953284281 /nfs/dbraw/zinc/28/42/81/953284281.db2.gz AXDATEAVCGISSJ-UHFFFAOYSA-N 1 0 384.444 1.664 20 0 GDADRO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCCOCC1 ZINC001571247741 953285755 /nfs/dbraw/zinc/28/57/55/953285755.db2.gz DBBVKLXMDZYJKB-NVXWUHKLSA-N 1 0 384.484 1.716 20 0 GDADRO C[C@H]1C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)CO1 ZINC001571247846 953286962 /nfs/dbraw/zinc/28/69/62/953286962.db2.gz GCAGMKBVJRFDHJ-MGHWNKPDSA-N 1 0 384.484 1.809 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2C)s1 ZINC001571247848 953287205 /nfs/dbraw/zinc/28/72/05/953287205.db2.gz GDUBNVULAGZALF-CMPLNLGQSA-N 1 0 384.469 1.554 20 0 GDADRO CO[C@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571247953 953287907 /nfs/dbraw/zinc/28/79/07/953287907.db2.gz JJOUTYGYUKUFRA-MSOLQXFVSA-N 1 0 384.484 1.762 20 0 GDADRO CO[C@@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571247954 953288355 /nfs/dbraw/zinc/28/83/55/953288355.db2.gz JJOUTYGYUKUFRA-QZTJIDSGSA-N 1 0 384.484 1.762 20 0 GDADRO COCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571247970 953288430 /nfs/dbraw/zinc/28/84/30/953288430.db2.gz KBMSOJNCIUHFBH-MSOLQXFVSA-N 1 0 384.484 1.859 20 0 GDADRO COCC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571248499 953294631 /nfs/dbraw/zinc/29/46/31/953294631.db2.gz VWZNJAFDRRUNME-UHFFFAOYSA-N 1 0 384.484 1.718 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC001571248649 953296490 /nfs/dbraw/zinc/29/64/90/953296490.db2.gz WXGFQNDPYFZIRF-QZTJIDSGSA-N 1 0 384.484 1.762 20 0 GDADRO Cc1nnsc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248766 953297424 /nfs/dbraw/zinc/29/74/24/953297424.db2.gz ZLBYVRMDZZXGGU-KRWDZBQOSA-N 1 0 384.469 1.421 20 0 GDADRO O=C(CC[C@@H]1CCOC1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571249598 953305222 /nfs/dbraw/zinc/30/52/22/953305222.db2.gz JQCVNJWLNATVJH-AEFFLSMTSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CCCOCC2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571250203 953309454 /nfs/dbraw/zinc/30/94/54/953309454.db2.gz OGKZBFWHMSHNKW-UWWQBHOKSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571250790 953312598 /nfs/dbraw/zinc/31/25/98/953312598.db2.gz SILLQRANMIHXLS-ZBFHGGJFSA-N 1 0 384.488 1.537 20 0 GDADRO Cc1cnc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C)o1 ZINC001571251187 953315215 /nfs/dbraw/zinc/31/52/15/953315215.db2.gz RTSLAUAESXXVTE-AAEUAGOBSA-N 1 0 384.444 1.379 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)c(C)o1 ZINC001571251330 953316391 /nfs/dbraw/zinc/31/63/91/953316391.db2.gz UDWDYEGFQCJXON-MFKMUULPSA-N 1 0 384.444 1.440 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)c(C)o1 ZINC001571251328 953316902 /nfs/dbraw/zinc/31/69/02/953316902.db2.gz UDWDYEGFQCJXON-GXFFZTMASA-N 1 0 384.444 1.440 20 0 GDADRO CC(C)(C(=O)N1CCC(Nc2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1CCCC1 ZINC001571251472 953317104 /nfs/dbraw/zinc/31/71/04/953317104.db2.gz YMWSOBPFUUFYBD-UHFFFAOYSA-N 1 0 384.488 1.539 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3CCC3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC001571251431 953317382 /nfs/dbraw/zinc/31/73/82/953317382.db2.gz XNCPPHDMTIANLG-BBRMVZONSA-N 1 0 384.484 1.860 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001571252081 953323247 /nfs/dbraw/zinc/32/32/47/953323247.db2.gz GUAOVLBBYGQZTG-UKRRQHHQSA-N 1 0 384.488 1.315 20 0 GDADRO Cc1nc(N2C[C@@H](NC(=O)C[NH+]3CCCC3)CC[C@H]2C)ccc1-c1nn[nH]n1 ZINC001571252320 953325812 /nfs/dbraw/zinc/32/58/12/953325812.db2.gz LANZULVUERLFGP-HIFRSBDPSA-N 1 0 384.488 1.139 20 0 GDADRO Cc1nc(N[C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571252576 953330903 /nfs/dbraw/zinc/33/09/03/953330903.db2.gz QGLRVYCTRQWQKS-LSDHHAIUSA-N 1 0 384.488 1.457 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C)no1 ZINC001571253889 953334785 /nfs/dbraw/zinc/33/47/85/953334785.db2.gz ASBRLMVRRSEHBP-HZMBPMFUSA-N 1 0 385.403 1.695 20 0 GDADRO Cc1ocnc1C(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571254472 953338605 /nfs/dbraw/zinc/33/86/05/953338605.db2.gz GQRBGVVIDMZRDD-AWEZNQCLSA-N 1 0 385.403 1.697 20 0 GDADRO O=C(NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)c1ccon1 ZINC001571254664 953340792 /nfs/dbraw/zinc/34/07/92/953340792.db2.gz HTKZOGXQHVQIHS-UHFFFAOYSA-N 1 0 385.403 1.825 20 0 GDADRO C[C@H]1CN(C(=O)Cc2ccon2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571255566 953350464 /nfs/dbraw/zinc/35/04/64/953350464.db2.gz QKUUOIPYRSRPMC-ZBEGNZNMSA-N 1 0 385.403 1.173 20 0 GDADRO O=C(Cc1ccon1)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571255674 953352825 /nfs/dbraw/zinc/35/28/25/953352825.db2.gz RXCXQCJSUHLAEC-UHFFFAOYSA-N 1 0 385.403 1.221 20 0 GDADRO O=C(c1cc(F)ccc1F)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571256289 953367959 /nfs/dbraw/zinc/36/79/59/953367959.db2.gz UHPALCBTIGJUDI-LBPRGKRZSA-N 1 0 385.378 1.679 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000874388317 956134973 /nfs/dbraw/zinc/13/49/73/956134973.db2.gz RDGKYZYCSOIXEO-LJQANCHMSA-N 1 0 388.512 1.889 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000874416567 956201860 /nfs/dbraw/zinc/20/18/60/956201860.db2.gz RDPVQQCOKXHKIZ-QPJJXVBHSA-N 1 0 386.496 1.576 20 0 GDADRO CCN(C(=O)NC1CC[NH+](CC(=O)[O-])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000874418594 956207775 /nfs/dbraw/zinc/20/77/75/956207775.db2.gz FNPHHPFCTLCSGK-IBGZPJMESA-N 1 0 388.512 1.841 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000874419385 956210648 /nfs/dbraw/zinc/21/06/48/956210648.db2.gz QNNVRNRBFHWNKP-MRXNPFEDSA-N 1 0 382.892 1.791 20 0 GDADRO C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001329790872 957705643 /nfs/dbraw/zinc/70/56/43/957705643.db2.gz LORXDDWBQNCIQD-JZAWBGDQSA-N 1 0 382.549 1.503 20 0 GDADRO C[NH+](C)Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC001517333399 962765968 /nfs/dbraw/zinc/76/59/68/962765968.db2.gz RDRQIOQMBXCARX-JOCHJYFZSA-N 1 0 396.491 1.992 20 0 GDADRO CC[C@H](CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000874386937 969372562 /nfs/dbraw/zinc/37/25/62/969372562.db2.gz HRWGSZYPUUWZRS-LJQANCHMSA-N 1 0 388.512 1.672 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)Cc1ccccc1 ZINC000874387254 969373476 /nfs/dbraw/zinc/37/34/76/969373476.db2.gz QZYIZSOIJJJIIU-LJQANCHMSA-N 1 0 390.528 1.788 20 0 GDADRO C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1)[N@H+](C)Cc1ccccc1 ZINC001592659416 978641170 /nfs/dbraw/zinc/64/11/70/978641170.db2.gz COIGADRYPBIHSC-INIZCTEOSA-N 1 0 376.501 1.697 20 0 GDADRO CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)cc2)CC1 ZINC000910181048 981776335 /nfs/dbraw/zinc/77/63/35/981776335.db2.gz RUELJSJZOFAWSU-UHFFFAOYSA-N 1 0 388.512 1.450 20 0 GDADRO O=C([O-])c1ccc(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000911323147 982346775 /nfs/dbraw/zinc/34/67/75/982346775.db2.gz HJGURDYEFUQWFR-UHFFFAOYSA-N 1 0 382.464 1.651 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001594516744 985913443 /nfs/dbraw/zinc/91/34/43/985913443.db2.gz RQRWVTVGLAZBGE-WWDZGPRUSA-N 1 0 380.533 1.974 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001598225214 990912927 /nfs/dbraw/zinc/91/29/27/990912927.db2.gz DRUWBPBHYBHMQG-GFCCVEGCSA-N 1 0 383.518 1.290 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)C[C@H]1C[NH+](C)C ZINC001598246076 991000223 /nfs/dbraw/zinc/00/02/23/991000223.db2.gz DUORPRHWURYINP-HZPDHXFCSA-N 1 0 399.495 1.382 20 0 GDADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001591555733 992749139 /nfs/dbraw/zinc/74/91/39/992749139.db2.gz JVEGVAZSXMCYKX-MRXNPFEDSA-N 1 0 391.516 1.743 20 0 GDADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)CC1 ZINC001599123533 997789779 /nfs/dbraw/zinc/78/97/79/997789779.db2.gz SSBAYLHEHQWMRE-UHFFFAOYSA-N 1 0 384.521 1.066 20 0 GDADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)c1 ZINC000466907117 1126094037 /nfs/dbraw/zinc/09/40/37/1126094037.db2.gz VLVHVZUJDJPXFW-MOPGFXCFSA-N 1 0 377.510 1.418 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc(C3OCCO3)s2)[C@H](O)C1 ZINC000865745765 1126116086 /nfs/dbraw/zinc/11/60/86/1126116086.db2.gz HKXFYCFYFSWPPV-CHWSQXEVSA-N 1 0 385.486 1.648 20 0 GDADRO COc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)cc1OCC(N)=O ZINC001330636535 1126175301 /nfs/dbraw/zinc/17/53/01/1126175301.db2.gz DGGNQEHRWXUROB-FQEVSTJZSA-N 1 0 376.428 1.782 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC001605269958 1126229708 /nfs/dbraw/zinc/22/97/08/1126229708.db2.gz PACSUOBEIFPZFH-FQEVSTJZSA-N 1 0 383.452 1.967 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1cc(Br)ccc1F ZINC000158993465 530538535 /nfs/dbraw/zinc/53/85/35/530538535.db2.gz XNQKFFSKTJGUAN-UHFFFAOYSA-N 1 0 395.294 1.713 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000007340210 530545991 /nfs/dbraw/zinc/54/59/91/530545991.db2.gz VYPKWHGSBQJPAB-UHFFFAOYSA-N 1 0 377.919 1.330 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(N2CCCS2(=O)=O)c1 ZINC000160551712 530553321 /nfs/dbraw/zinc/55/33/21/530553321.db2.gz YLCGQRRYNCXFMZ-NSHDSACASA-N 1 0 379.404 1.556 20 0 GDADRO O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCC[NH2+]C1 ZINC000161960840 530564875 /nfs/dbraw/zinc/56/48/75/530564875.db2.gz IBZZGYUBMRHBNP-AWEZNQCLSA-N 1 0 385.555 1.581 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000161986851 530564945 /nfs/dbraw/zinc/56/49/45/530564945.db2.gz FUOJEMHMORJEIZ-UHFFFAOYSA-N 1 0 384.274 1.869 20 0 GDADRO CN1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@@H](C[NH3+])C1 ZINC000162568678 530569795 /nfs/dbraw/zinc/56/97/95/530569795.db2.gz LXNIKWGRLAZKIS-ZDUSSCGKSA-N 1 0 396.264 1.489 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000164373237 530579044 /nfs/dbraw/zinc/57/90/44/530579044.db2.gz XQCGOQQJIYBAMW-UHFFFAOYSA-N 1 0 386.539 1.869 20 0 GDADRO C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000165379044 530580864 /nfs/dbraw/zinc/58/08/64/530580864.db2.gz UJWOBOUNXJRHPB-RYUDHWBXSA-N 1 0 383.290 1.877 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccccc1)c1cccs1 ZINC000027675221 530589688 /nfs/dbraw/zinc/58/96/88/530589688.db2.gz RMTZHNWXQDFNFA-OAHLLOKOSA-N 1 0 381.523 1.836 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171449722 530599982 /nfs/dbraw/zinc/59/99/82/530599982.db2.gz KTTNBOVFJDFZHN-ZFWWWQNUSA-N 1 0 385.917 1.704 20 0 GDADRO C[C@@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000171880487 530604730 /nfs/dbraw/zinc/60/47/30/530604730.db2.gz JXGHBEWFQLHFEJ-NSHDSACASA-N 1 0 380.290 1.691 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC000031984771 530605157 /nfs/dbraw/zinc/60/51/57/530605157.db2.gz LNHXMWUEQSXFGY-MRXNPFEDSA-N 1 0 387.571 1.919 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2cc(F)ccc2Br)CC1=O ZINC000172052578 530607173 /nfs/dbraw/zinc/60/71/73/530607173.db2.gz VRBVBTWCKYNKKF-LBPRGKRZSA-N 1 0 386.265 1.615 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(C)(C)C ZINC000172119591 530608091 /nfs/dbraw/zinc/60/80/91/530608091.db2.gz SQOPIJBGCKQEPY-OAHLLOKOSA-N 1 0 376.567 1.324 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2c(c(Br)c1)OCO2 ZINC000172345292 530612341 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CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000173456834 530630735 /nfs/dbraw/zinc/63/07/35/530630735.db2.gz LQWVKDOSWROVMH-LBPRGKRZSA-N 1 0 379.448 1.656 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000173513104 530631681 /nfs/dbraw/zinc/63/16/81/530631681.db2.gz MYNYBKBZMASIOW-UHFFFAOYSA-N 1 0 388.555 1.632 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000173976924 530640786 /nfs/dbraw/zinc/64/07/86/530640786.db2.gz XPMOYRBJKIHWIR-HIFRSBDPSA-N 1 0 396.329 1.906 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000172725604 530617017 /nfs/dbraw/zinc/61/70/17/530617017.db2.gz SXUXOJQHMLEWQN-COPLHBTASA-N 1 0 389.315 1.792 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000040105665 530618957 /nfs/dbraw/zinc/61/89/57/530618957.db2.gz HFNHXLQPHAICGB-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000176258005 530680289 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C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000047774169 530662675 /nfs/dbraw/zinc/66/26/75/530662675.db2.gz BHOSIGPGVIVPBP-CQSZACIVSA-N 1 0 387.571 1.995 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCc1cccc(S(N)(=O)=O)c1)c1cccs1 ZINC000047833237 530663467 /nfs/dbraw/zinc/66/34/67/530663467.db2.gz URXIAIIACPPQRV-CQSZACIVSA-N 1 0 382.511 1.498 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000047833133 530663474 /nfs/dbraw/zinc/66/34/74/530663474.db2.gz KGDRIGZMFCTJLE-CYBMUJFWSA-N 1 0 376.548 1.322 20 0 GDADRO CS(=O)(=O)NCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000047988240 530664919 /nfs/dbraw/zinc/66/49/19/530664919.db2.gz QPZSUQXREKXHLI-HNNXBMFYSA-N 1 0 388.921 1.325 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000175850695 530671086 /nfs/dbraw/zinc/67/10/86/530671086.db2.gz DOIAZVXSHNOSOM-LLVKDONJSA-N 1 0 396.285 1.997 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000177111837 530697214 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Cc1cc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1Br ZINC000178904543 530730148 /nfs/dbraw/zinc/73/01/48/530730148.db2.gz FGYMFRZOKFZVJG-MRXNPFEDSA-N 1 0 396.329 1.780 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000058276591 530731141 /nfs/dbraw/zinc/73/11/41/530731141.db2.gz JDOSMGOUIXDHGA-UONOGXRCSA-N 1 0 387.933 1.855 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C1 ZINC000178942588 530731259 /nfs/dbraw/zinc/73/12/59/530731259.db2.gz GQUJXQJVFWLKHC-NSHDSACASA-N 1 0 379.404 1.209 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000178979619 530732527 /nfs/dbraw/zinc/73/25/27/530732527.db2.gz PDMSOKSYDHZGIY-NSHDSACASA-N 1 0 394.269 1.503 20 0 GDADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1Br)C(=O)N1CCOCC1 ZINC000180057963 530756255 /nfs/dbraw/zinc/75/62/55/530756255.db2.gz NHNJINGCQSZICJ-INIZCTEOSA-N 1 0 398.301 1.861 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000066127278 530758417 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C[C@H]([NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000182558046 530801559 /nfs/dbraw/zinc/80/15/59/530801559.db2.gz XIDXYVQDNONBSN-JQFCIGGWSA-N 1 0 388.555 1.943 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cnc1Br ZINC000182736049 530804262 /nfs/dbraw/zinc/80/42/62/530804262.db2.gz MFBYDKFRFLZUMU-ZDUSSCGKSA-N 1 0 381.274 1.788 20 0 GDADRO CCS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000182901547 530806461 /nfs/dbraw/zinc/80/64/61/530806461.db2.gz TZTWNVZGJROJGZ-LLVKDONJSA-N 1 0 389.315 1.924 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000068597982 530789960 /nfs/dbraw/zinc/78/99/60/530789960.db2.gz YQPWXYAPLGKYFP-ZDUSSCGKSA-N 1 0 388.559 1.541 20 0 GDADRO Cc1ccc(NC(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)c(Br)c1 ZINC000181968390 530792707 /nfs/dbraw/zinc/79/27/07/530792707.db2.gz JQUIBZCHFFQYKJ-OAHLLOKOSA-N 1 0 398.301 1.956 20 0 GDADRO OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)CN1CCOCC1 ZINC000069250555 530796676 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CS(=O)(=O)c1ccc(Br)c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000185064381 530835608 /nfs/dbraw/zinc/83/56/08/530835608.db2.gz UAWAQDMKTOMXTQ-BHYNMZESSA-N 1 0 387.299 1.662 20 0 GDADRO O=S(=O)(N[C@@H]1CC[NH2+]C1)c1ccc(OC(F)(F)F)cc1Br ZINC000183126876 530810014 /nfs/dbraw/zinc/81/00/14/530810014.db2.gz NURPZIFLVXNFBQ-SSDOTTSWSA-N 1 0 389.193 1.988 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)[NH+]1CCCCC1 ZINC000183293342 530812751 /nfs/dbraw/zinc/81/27/51/530812751.db2.gz KVDBAYAKNTUXRM-ZDUSSCGKSA-N 1 0 392.518 1.772 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000093047085 530813196 /nfs/dbraw/zinc/81/31/96/530813196.db2.gz JCVBZFSEZXSAQT-UHFFFAOYSA-N 1 0 382.302 1.895 20 0 GDADRO Cn1cc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)c(=O)n(C)c1=O ZINC000093815624 530814050 /nfs/dbraw/zinc/81/40/50/530814050.db2.gz COCWKIGULJOEKZ-CQSZACIVSA-N 1 0 382.258 1.012 20 0 GDADRO CN(CC[NH2+]C1CCN(CC(F)(F)F)CC1)S(=O)(=O)c1cccs1 ZINC000183362175 530814284 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C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000106895196 530851083 /nfs/dbraw/zinc/85/10/83/530851083.db2.gz USLASOSZEIENJH-NSHDSACASA-N 1 0 394.310 1.502 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)s2)CC1 ZINC000106911535 530851373 /nfs/dbraw/zinc/85/13/73/530851373.db2.gz VEQVGQWVFSCPRX-AWEZNQCLSA-N 1 0 385.555 1.993 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(O)c(Br)c1 ZINC000186142521 530852225 /nfs/dbraw/zinc/85/22/25/530852225.db2.gz IIQYXVFFWVVIND-ZDUSSCGKSA-N 1 0 399.333 1.980 20 0 GDADRO Cc1ccc(I)c(C(=O)N2CCN(C[C@@H](C)O)CC2)c1 ZINC000186821260 530862979 /nfs/dbraw/zinc/86/29/79/530862979.db2.gz HZINOUWLGUOHMP-GFCCVEGCSA-N 1 0 388.249 1.738 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000186815197 530862995 /nfs/dbraw/zinc/86/29/95/530862995.db2.gz GKVWOGKCKCCVMJ-YGRLFVJLSA-N 1 0 386.265 1.822 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000186876647 530864287 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C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188863023 530903050 /nfs/dbraw/zinc/90/30/50/530903050.db2.gz DZCNFXIAVYZLRE-JTQLQIEISA-N 1 0 386.315 1.936 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cn2ccnc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000189025721 530905323 /nfs/dbraw/zinc/90/53/23/530905323.db2.gz ZUEILZDYQYVBOY-ZDUSSCGKSA-N 1 0 384.527 1.367 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000189116567 530908148 /nfs/dbraw/zinc/90/81/48/530908148.db2.gz BFIBYHAREKLCSX-ZDUSSCGKSA-N 1 0 377.913 1.925 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2c[nH+]ccc2N)s1 ZINC000187690487 530876522 /nfs/dbraw/zinc/87/65/22/530876522.db2.gz ZYLJJJLODWUNMS-UHFFFAOYSA-N 1 0 382.511 1.728 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000187848331 530879193 /nfs/dbraw/zinc/87/91/93/530879193.db2.gz PPXBTHLTACJOGS-CQSZACIVSA-N 1 0 386.290 1.930 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000112924394 530885431 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C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000123677490 530986650 /nfs/dbraw/zinc/98/66/50/530986650.db2.gz JKECIDYCCCEBIC-NSHDSACASA-N 1 0 399.289 1.077 20 0 GDADRO C[C@@H]([NH2+]CCCOC(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000194036022 530998344 /nfs/dbraw/zinc/99/83/44/530998344.db2.gz IFDJNMOBSNXHKP-CYBMUJFWSA-N 1 0 378.441 1.987 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194039158 530998352 /nfs/dbraw/zinc/99/83/52/530998352.db2.gz UMNXLYDHSPLGRT-MRXNPFEDSA-N 1 0 382.302 1.458 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)C2)s1 ZINC000193516417 530988451 /nfs/dbraw/zinc/98/84/51/530988451.db2.gz OAARXQYVIFERAI-RBSFLKMASA-N 1 0 385.555 1.714 20 0 GDADRO CN(C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000125463092 531006607 /nfs/dbraw/zinc/00/66/07/531006607.db2.gz LIBGPYBSCRHEAM-UHFFFAOYSA-N 1 0 394.324 1.872 20 0 GDADRO CC[C@H]([NH3+])c1cn(CC(=O)Nc2ccccc2I)nn1 ZINC000229938007 531034240 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C[C@@H](C(=O)NCC[NH2+]C(C)(C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000126865525 531023303 /nfs/dbraw/zinc/02/33/03/531023303.db2.gz XVTISIWBZRRJJA-JTQLQIEISA-N 1 0 396.285 1.938 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000126910918 531024299 /nfs/dbraw/zinc/02/42/99/531024299.db2.gz XZXIKUSVKNYHGF-UHFFFAOYSA-N 1 0 382.262 1.338 20 0 GDADRO O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N[C@H]1CC[NH2+]C1 ZINC000127142180 531026554 /nfs/dbraw/zinc/02/65/54/531026554.db2.gz WFUZETZRZFAVTC-LBPRGKRZSA-N 1 0 375.288 1.481 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000127362834 531029681 /nfs/dbraw/zinc/02/96/81/531029681.db2.gz ODKNWCXIISIONE-NEPJUHHUSA-N 1 0 393.962 1.869 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000127663766 531032100 /nfs/dbraw/zinc/03/21/00/531032100.db2.gz HSMITYRXMXSMJC-LLVKDONJSA-N 1 0 375.288 1.480 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000127673968 531032511 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[NH3+]C[C@H]1CCCCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000130948095 531065469 /nfs/dbraw/zinc/06/54/69/531065469.db2.gz NNWKRMOTMAPBQC-GFCCVEGCSA-N 1 0 379.258 1.499 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)C1 ZINC000246416664 531066651 /nfs/dbraw/zinc/06/66/51/531066651.db2.gz LLOMCAHTYPFPJK-LSDHHAIUSA-N 1 0 387.571 1.899 20 0 GDADRO C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@H](O)CN1CCOCC1 ZINC000246437764 531066947 /nfs/dbraw/zinc/06/69/47/531066947.db2.gz LSOZIEAXNOQIDC-UONOGXRCSA-N 1 0 393.311 1.358 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc(I)c1 ZINC000127970548 531036237 /nfs/dbraw/zinc/03/62/37/531036237.db2.gz WDHLCLKXEJWYHR-UHFFFAOYSA-N 1 0 389.237 1.734 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cccnc1Br ZINC000128201297 531038000 /nfs/dbraw/zinc/03/80/00/531038000.db2.gz JLKDVFVMOQPKNZ-CYBMUJFWSA-N 1 0 383.290 1.517 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000236627971 531038630 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GDADRO CCC[NH2+]CCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000236917535 531041070 /nfs/dbraw/zinc/04/10/70/531041070.db2.gz LVKRNTJJUBVKJR-UHFFFAOYSA-N 1 0 382.258 1.551 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@]2(C)CCC[NH2+]C2)s1 ZINC000236992844 531041958 /nfs/dbraw/zinc/04/19/58/531041958.db2.gz LRMBEORGUVTBLB-QGZVFWFLSA-N 1 0 387.571 1.827 20 0 GDADRO CN(CC(=O)N[C@@H](C[NH3+])C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000237068341 531042144 /nfs/dbraw/zinc/04/21/44/531042144.db2.gz MSGRXZBDALJUKR-INIZCTEOSA-N 1 0 387.933 1.984 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)CN1CCCS1(=O)=O)c1ccccc1Cl ZINC000128637060 531043043 /nfs/dbraw/zinc/04/30/43/531043043.db2.gz SMGWFHSRKKIOLF-MRXNPFEDSA-N 1 0 387.933 1.875 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000237120917 531043097 /nfs/dbraw/zinc/04/30/97/531043097.db2.gz SYISIWAYXBLWBM-NSHDSACASA-N 1 0 377.304 1.336 20 0 GDADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000237208844 531044144 /nfs/dbraw/zinc/04/41/44/531044144.db2.gz AEGZPHBYCMAOSE-VIFPVBQESA-N 1 0 379.276 1.370 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000237321473 531045181 /nfs/dbraw/zinc/04/51/81/531045181.db2.gz LNPJLUILVJWWKT-GFCCVEGCSA-N 1 0 383.297 1.641 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000237338007 531045623 /nfs/dbraw/zinc/04/56/23/531045623.db2.gz CSBGGNLOJXBJDZ-QWHCGFSZSA-N 1 0 375.288 1.315 20 0 GDADRO C[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000237451379 531046620 /nfs/dbraw/zinc/04/66/20/531046620.db2.gz DYVOPJPQSSQKCE-SECBINFHSA-N 1 0 399.822 1.539 20 0 GDADRO CN1CCO[C@H]2CN(C(=O)c3ccc(F)c(I)c3)C[C@@H]21 ZINC000129028934 531047140 /nfs/dbraw/zinc/04/71/40/531047140.db2.gz ZOJRVRUFQPLTNH-STQMWFEESA-N 1 0 390.196 1.585 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000237595554 531047773 /nfs/dbraw/zinc/04/77/73/531047773.db2.gz IOKVBOJBDICZQD-LLVKDONJSA-N 1 0 375.441 1.171 20 0 GDADRO C[C@H]1CCCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)[C@@H]1C[NH3+] ZINC000237620896 531048590 /nfs/dbraw/zinc/04/85/90/531048590.db2.gz OJOXTTKUEQXWRM-SMDDNHRTSA-N 1 0 396.285 1.760 20 0 GDADRO C[C@H]1CCCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)[C@H]1C[NH3+] ZINC000237629383 531048798 /nfs/dbraw/zinc/04/87/98/531048798.db2.gz AUVHRDGVCXSIFC-HZMBPMFUSA-N 1 0 394.269 1.631 20 0 GDADRO C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)[C@H]1C[NH3+] ZINC000237688589 531048932 /nfs/dbraw/zinc/04/89/32/531048932.db2.gz LBXCNWCJHHCQNW-NHYWBVRUSA-N 1 0 375.441 1.219 20 0 GDADRO Cc1sc2ncnc(SCCC(=O)NCCN3CC[NH2+]CC3)c2c1C ZINC000237736645 531049705 /nfs/dbraw/zinc/04/97/05/531049705.db2.gz MKYYABNHWBDNGB-UHFFFAOYSA-N 1 0 379.555 1.812 20 0 GDADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCCCN1CC[NH2+]CC1 ZINC000237827686 531050629 /nfs/dbraw/zinc/05/06/29/531050629.db2.gz ZYEOXEPYBHRBHT-HNNXBMFYSA-N 1 0 382.917 1.554 20 0 GDADRO O=C(C[NH2+]C[C@H]1CCCO1)NCCc1ccc(I)s1 ZINC000237809029 531050810 /nfs/dbraw/zinc/05/08/10/531050810.db2.gz CGPDSWRFKLRADH-SNVBAGLBSA-N 1 0 394.278 1.780 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000237852186 531051324 /nfs/dbraw/zinc/05/13/24/531051324.db2.gz ICPNHSCLFPNLCK-LLVKDONJSA-N 1 0 394.324 1.859 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CSc2nc3ccccc3s2)C1 ZINC000237906321 531051843 /nfs/dbraw/zinc/05/18/43/531051843.db2.gz PIWNJYIXRUQXTP-GFCCVEGCSA-N 1 0 378.523 1.702 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000237881583 531052042 /nfs/dbraw/zinc/05/20/42/531052042.db2.gz RAYIWULPGFLVSK-VIFPVBQESA-N 1 0 396.332 1.129 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)C1 ZINC000237927891 531052980 /nfs/dbraw/zinc/05/29/80/531052980.db2.gz FQHZZSRANRGYDJ-CQSZACIVSA-N 1 0 379.507 1.442 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)CSCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)C1 ZINC000237979706 531053219 /nfs/dbraw/zinc/05/32/19/531053219.db2.gz OEPGSRBFFSKFTA-SNVBAGLBSA-N 1 0 378.523 1.656 20 0 GDADRO [NH3+]CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCCC1 ZINC000238045059 531053954 /nfs/dbraw/zinc/05/39/54/531053954.db2.gz HUBHVKCZOPSJGO-UHFFFAOYSA-N 1 0 385.917 1.692 20 0 GDADRO Cn1nnnc1SCCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247419276 531074685 /nfs/dbraw/zinc/07/46/85/531074685.db2.gz NUSULGCZFSWCAZ-IUODEOHRSA-N 1 0 380.543 1.953 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000261985325 531104068 /nfs/dbraw/zinc/10/40/68/531104068.db2.gz PZDNJGQOGLEOBV-DZGCQCFKSA-N 1 0 385.917 1.690 20 0 GDADRO O=C(Cc1ccc(Br)cc1)NCCCC[NH+]1CCN(CCO)CC1 ZINC000131805304 531075453 /nfs/dbraw/zinc/07/54/53/531075453.db2.gz QAHJKEHYIFQUGJ-UHFFFAOYSA-N 1 0 398.345 1.498 20 0 GDADRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000132005964 531076849 /nfs/dbraw/zinc/07/68/49/531076849.db2.gz BJGAGFJLXNTSDH-LLVKDONJSA-N 1 0 387.303 1.732 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CN3C(=O)COc4cc(Br)ccc43)C[C@H]12 ZINC000248582131 531079667 /nfs/dbraw/zinc/07/96/67/531079667.db2.gz FNCRZUUULDHIER-KGYLQXTDSA-N 1 0 394.269 1.370 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cnc4ccc(Br)cc4c3=O)C[C@H]12 ZINC000248634442 531080017 /nfs/dbraw/zinc/08/00/17/531080017.db2.gz PYDWEKSLZCEROR-DDTOSNHZSA-N 1 0 391.269 1.355 20 0 GDADRO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000248666311 531080971 /nfs/dbraw/zinc/08/09/71/531080971.db2.gz WNTFRVOBLGFAFM-GARJFASQSA-N 1 0 377.919 1.218 20 0 GDADRO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000132658084 531083030 /nfs/dbraw/zinc/08/30/30/531083030.db2.gz BBHPKIDCMAIAAM-CHWSQXEVSA-N 1 0 378.416 1.656 20 0 GDADRO C[C@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000249321126 531086393 /nfs/dbraw/zinc/08/63/93/531086393.db2.gz GFLXCBIQWLOSNC-SWLSCSKDSA-N 1 0 384.318 1.753 20 0 GDADRO O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249726442 531089177 /nfs/dbraw/zinc/08/91/77/531089177.db2.gz PFRNTRRHUJKXPK-GJZGRUSLSA-N 1 0 383.539 1.598 20 0 GDADRO Cc1cc(Br)ccc1S(=O)(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000133378185 531090485 /nfs/dbraw/zinc/09/04/85/531090485.db2.gz JMDWYLCFXUTUGL-ZDUSSCGKSA-N 1 0 390.347 1.672 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)s1 ZINC000133653229 531093498 /nfs/dbraw/zinc/09/34/98/531093498.db2.gz IJIYYYWOIDBSFX-CYBMUJFWSA-N 1 0 388.559 1.433 20 0 GDADRO Brc1cccc(-c2noc(CN3CCN([C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000261619311 531093905 /nfs/dbraw/zinc/09/39/05/531093905.db2.gz FWNVUTYOYHPJBS-HNNXBMFYSA-N 1 0 392.301 1.979 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000261615807 531094059 /nfs/dbraw/zinc/09/40/59/531094059.db2.gz BHLJHCZAXJHDPZ-DGCLKSJQSA-N 1 0 389.315 1.560 20 0 GDADRO C[C@]([NH3+])(C(=O)N1CCC[C@]2(CNC(=O)C2)C1)c1ccc(Br)cc1 ZINC000261625916 531094302 /nfs/dbraw/zinc/09/43/02/531094302.db2.gz BGPHKQDPKQGEAA-SJORKVTESA-N 1 0 380.286 1.752 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000133709576 531094371 /nfs/dbraw/zinc/09/43/71/531094371.db2.gz XZCCOABUPGZSNG-NSHDSACASA-N 1 0 380.242 1.256 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000133735030 531094421 /nfs/dbraw/zinc/09/44/21/531094421.db2.gz IGDQNZLKXBXRNO-NSHDSACASA-N 1 0 394.950 1.415 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000133758496 531094424 /nfs/dbraw/zinc/09/44/24/531094424.db2.gz UGTBUASMNVWKBE-LBPRGKRZSA-N 1 0 382.258 1.385 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)c1ccc(Br)cc1 ZINC000133818291 531094790 /nfs/dbraw/zinc/09/47/90/531094790.db2.gz MHTZETAAANICMU-OAHLLOKOSA-N 1 0 383.286 1.985 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000261669313 531095444 /nfs/dbraw/zinc/09/54/44/531095444.db2.gz GUBRXFZOWZCYDQ-MNOVXSKESA-N 1 0 379.258 1.355 20 0 GDADRO COC(=O)CSCCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261688249 531095716 /nfs/dbraw/zinc/09/57/16/531095716.db2.gz HJJODRRGTDRNMF-CQSZACIVSA-N 1 0 375.288 1.645 20 0 GDADRO COc1cc(Br)c(CNC(=O)[C@@H]([NH3+])C2CCOCC2)cc1OC ZINC000261680748 531096115 /nfs/dbraw/zinc/09/61/15/531096115.db2.gz GYNNYRLZWKZBNG-HNNXBMFYSA-N 1 0 387.274 1.836 20 0 GDADRO CCn1cc(Br)cc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261711545 531096500 /nfs/dbraw/zinc/09/65/00/531096500.db2.gz BYPPXPXIWIPPJV-LBPRGKRZSA-N 1 0 397.239 1.836 20 0 GDADRO COCC1(CNS(=O)(=O)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000261709401 531096591 /nfs/dbraw/zinc/09/65/91/531096591.db2.gz OZIKETJXWARFON-UHFFFAOYSA-N 1 0 377.304 1.744 20 0 GDADRO Cc1nc2n(n1)C[C@@H](NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)CC2 ZINC000261710630 531096779 /nfs/dbraw/zinc/09/67/79/531096779.db2.gz JEVDYGBEGYLLPS-BBRMVZONSA-N 1 0 378.274 1.654 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000261725390 531097266 /nfs/dbraw/zinc/09/72/66/531097266.db2.gz LBJTUOJGIGSMOQ-NSHDSACASA-N 1 0 375.441 1.090 20 0 GDADRO 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[NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000440852627 531348102 /nfs/dbraw/zinc/34/81/02/531348102.db2.gz ASRAJMKRKSIMCK-RYUDHWBXSA-N 1 0 375.288 1.932 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000440852626 531348134 /nfs/dbraw/zinc/34/81/34/531348134.db2.gz ASRAJMKRKSIMCK-NWDGAFQWSA-N 1 0 375.288 1.932 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)NCC2=CC[NH2+]CC2)cn1 ZINC000440853650 531348350 /nfs/dbraw/zinc/34/83/50/531348350.db2.gz AZHJOVZHERWCHR-UHFFFAOYSA-N 1 0 382.873 1.732 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000440864616 531349087 /nfs/dbraw/zinc/34/90/87/531349087.db2.gz RRSWAMBMKQKXDE-SECBINFHSA-N 1 0 377.260 1.124 20 0 GDADRO CCN(C)S(=O)(=O)c1ccccc1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000478846155 531350406 /nfs/dbraw/zinc/35/04/06/531350406.db2.gz QWEFXRUZIZLUDQ-LSDHHAIUSA-N 1 0 385.555 1.445 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000440420787 531339250 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COc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(OC)cc1Br ZINC000440800039 531344638 /nfs/dbraw/zinc/34/46/38/531344638.db2.gz DJVYVEWSXABGMI-KOLCDFICSA-N 1 0 393.303 1.743 20 0 GDADRO C[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[N@@H+]1CCCC[C@@H]1C ZINC000478618032 531346347 /nfs/dbraw/zinc/34/63/47/531346347.db2.gz FQHXBGUGPAOUMT-UONOGXRCSA-N 1 0 387.571 1.833 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)cn1 ZINC000440811152 531346766 /nfs/dbraw/zinc/34/67/66/531346766.db2.gz QZYYJPZGCXIZLW-VXGBXAGGSA-N 1 0 384.889 1.905 20 0 GDADRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)C1 ZINC000278353422 531355214 /nfs/dbraw/zinc/35/52/14/531355214.db2.gz IOLVYOJKOAZKHM-ZIAGYGMSSA-N 1 0 388.559 1.012 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[NH2+][C@H](C(C)C)C3)c(Cl)cc21 ZINC000528437047 531357668 /nfs/dbraw/zinc/35/76/68/531357668.db2.gz LMKVOLSUSXKSED-HNNXBMFYSA-N 1 0 385.917 1.868 20 0 GDADRO CC[C@@H](C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[NH+](CC)CC ZINC000441403005 531358962 /nfs/dbraw/zinc/35/89/62/531358962.db2.gz PLOICMBFYBRNCB-AWEZNQCLSA-N 1 0 393.912 1.994 20 0 GDADRO Cn1ncc(Br)c1CNCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000278312781 531351999 /nfs/dbraw/zinc/35/19/99/531351999.db2.gz DIJBLXURAVDKKN-UHFFFAOYSA-N 1 0 394.317 1.764 20 0 GDADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+]C2(CO)CCCC2)ccc1Cl ZINC000441036279 531352386 /nfs/dbraw/zinc/35/23/86/531352386.db2.gz PJZDENYWJGROII-UHFFFAOYSA-N 1 0 389.905 1.424 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1c(F)cccc1Br ZINC000441842441 531365096 /nfs/dbraw/zinc/36/50/96/531365096.db2.gz BYQOIXFILQXKCP-UHFFFAOYSA-N 1 0 376.226 1.221 20 0 GDADRO C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)Oc1ccc(Br)cc1 ZINC000266713001 531363874 /nfs/dbraw/zinc/36/38/74/531363874.db2.gz IMUUHSUMLLEVHP-UKRRQHHQSA-N 1 0 399.333 1.761 20 0 GDADRO C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000278570237 531369772 /nfs/dbraw/zinc/36/97/72/531369772.db2.gz NMNVOTGZYALJKQ-GFCCVEGCSA-N 1 0 388.921 1.310 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000292703451 531371767 /nfs/dbraw/zinc/37/17/67/531371767.db2.gz LRGRRVSBZSXZDX-UHFFFAOYSA-N 1 0 387.893 1.134 20 0 GDADRO COc1ccc(Cl)cc1CS(=O)(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000443268047 531389306 /nfs/dbraw/zinc/38/93/06/531389306.db2.gz BGLUSFRRDZBWIG-UHFFFAOYSA-N 1 0 390.933 1.957 20 0 GDADRO O=C(N1CC[NH2+]CC1)N1CCN(Cc2c(F)cccc2Br)CC1 ZINC000530223794 531390440 /nfs/dbraw/zinc/39/04/40/531390440.db2.gz QZJNURBVKTXBFQ-UHFFFAOYSA-N 1 0 385.281 1.731 20 0 GDADRO Cn1ncc(I)c1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000292773925 531377510 /nfs/dbraw/zinc/37/75/10/531377510.db2.gz LMSDFDXUPZMAAK-GFCCVEGCSA-N 1 0 394.282 1.192 20 0 GDADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000442868826 531378348 /nfs/dbraw/zinc/37/83/48/531378348.db2.gz OMVXPSCVUCXEOW-HIFRSBDPSA-N 1 0 396.481 1.189 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(Br)nc1 ZINC000266955212 531379715 /nfs/dbraw/zinc/37/97/15/531379715.db2.gz 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CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000415385259 531481358 /nfs/dbraw/zinc/48/13/58/531481358.db2.gz ZZDDBOCXAHBFMO-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC(C)(C)C[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000415380094 531481496 /nfs/dbraw/zinc/48/14/96/531481496.db2.gz LDBJOERSPKRBSS-UHFFFAOYSA-N 1 0 384.267 2.280 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc2nccnc2c1Br ZINC000415381871 531481518 /nfs/dbraw/zinc/48/15/18/531481518.db2.gz RNBVRDGRXIJBDB-VIFPVBQESA-N 1 0 378.230 1.199 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415396383 531482483 /nfs/dbraw/zinc/48/24/83/531482483.db2.gz HDPNAIOEVYXQMW-UHFFFAOYSA-N 1 0 383.283 2.206 20 0 GDADRO CCCN(C(=O)C(=O)Nc1ccc(OC)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000415395147 531482517 /nfs/dbraw/zinc/48/25/17/531482517.db2.gz RWCSFOCZTWDELI-LLVKDONJSA-N 1 0 384.274 1.997 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)cc1Br ZINC000415402899 531483373 /nfs/dbraw/zinc/48/33/73/531483373.db2.gz ZLCDGWHANPDSPB-LLVKDONJSA-N 1 0 384.274 1.902 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(F)F ZINC000415408826 531484213 /nfs/dbraw/zinc/48/42/13/531484213.db2.gz SEMBUBHJHSNINA-LLVKDONJSA-N 1 0 380.392 1.370 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415412654 531484462 /nfs/dbraw/zinc/48/44/62/531484462.db2.gz HYQPWHJKZMHFBP-JTQLQIEISA-N 1 0 384.267 2.089 20 0 GDADRO C[C@H](NC[C@H]1C[N@H+](C)CCN1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280274287 531484539 /nfs/dbraw/zinc/48/45/39/531484539.db2.gz YAYKWAADIKIPQQ-QWRGUYRKSA-N 1 0 395.356 1.537 20 0 GDADRO COc1cc(NC(=O)NCCN2CC[NH2+]CC2)cc(OC)c1Br ZINC000415409524 531484520 /nfs/dbraw/zinc/48/45/20/531484520.db2.gz IOWTZVHKFKDHBW-UHFFFAOYSA-N 1 0 387.278 1.493 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1)C1CC1 ZINC000415441339 531486260 /nfs/dbraw/zinc/48/62/60/531486260.db2.gz AMSMXZQKAGTYOT-CYBMUJFWSA-N 1 0 392.257 1.427 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)CC[NH3+])c(C)cc1Br ZINC000415546801 531493509 /nfs/dbraw/zinc/49/35/09/531493509.db2.gz BURMAOXYHXTBFH-SECBINFHSA-N 1 0 386.246 1.336 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000415477728 531489708 /nfs/dbraw/zinc/48/97/08/531489708.db2.gz XMWNWGYDSYSVFR-UHFFFAOYSA-N 1 0 390.893 1.284 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000415474068 531489817 /nfs/dbraw/zinc/48/98/17/531489817.db2.gz JDFXSZUZQBLVCF-UHFFFAOYSA-N 1 0 375.878 1.316 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415490889 531490053 /nfs/dbraw/zinc/49/00/53/531490053.db2.gz NYWBNKIUQYHMLM-UHFFFAOYSA-N 1 0 389.237 1.863 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415472483 531490129 /nfs/dbraw/zinc/49/01/29/531490129.db2.gz XCMFYCOMWQYELO-GFCCVEGCSA-N 1 0 392.257 1.523 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415471653 531490223 /nfs/dbraw/zinc/49/02/23/531490223.db2.gz RBINHMBMFZAFGS-UHFFFAOYSA-N 1 0 395.628 1.737 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415494965 531490604 /nfs/dbraw/zinc/49/06/04/531490604.db2.gz IQCMFBJQZMXYIE-LBPRGKRZSA-N 1 0 389.237 1.863 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(I)c1 ZINC000415528300 531491996 /nfs/dbraw/zinc/49/19/96/531491996.db2.gz RXDAPCINNBORDQ-VHSXEESVSA-N 1 0 387.221 1.425 20 0 GDADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](O)CN(C)C)CC1 ZINC000545457757 531492422 /nfs/dbraw/zinc/49/24/22/531492422.db2.gz VQQCLYIUHVYQSL-MRXNPFEDSA-N 1 0 398.345 1.874 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000415539121 531492918 /nfs/dbraw/zinc/49/29/18/531492918.db2.gz LJATWSNVBNTBCX-UHFFFAOYSA-N 1 0 376.226 1.187 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000268439790 531512899 /nfs/dbraw/zinc/51/28/99/531512899.db2.gz KFTVBOWEXJBWKF-ZFWWWQNUSA-N 1 0 383.334 1.925 20 0 GDADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415720612 531519519 /nfs/dbraw/zinc/51/95/19/531519519.db2.gz DYOUELRSWMQPQH-NSHDSACASA-N 1 0 399.264 1.033 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2cccc(C)c2Br)CCC[NH2+]1 ZINC000415703427 531515709 /nfs/dbraw/zinc/51/57/09/531515709.db2.gz FXHRHWPEMVCSLQ-INIZCTEOSA-N 1 0 384.274 1.581 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000581823998 531516016 /nfs/dbraw/zinc/51/60/16/531516016.db2.gz RRFURVGYLUUQLN-DOMZBBRYSA-N 1 0 384.889 1.733 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)[C@@H](C)C[NH2+]1 ZINC000415550731 531493738 /nfs/dbraw/zinc/49/37/38/531493738.db2.gz CPRZYTNJGKTDDA-YUMQZZPRSA-N 1 0 376.201 1.875 20 0 GDADRO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415716407 531518743 /nfs/dbraw/zinc/51/87/43/531518743.db2.gz WSNFHAGWMGWEFY-LLVKDONJSA-N 1 0 389.258 1.577 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415556590 531494590 /nfs/dbraw/zinc/49/45/90/531494590.db2.gz INCBGTMAXVQCHJ-QWRGUYRKSA-N 1 0 384.274 1.913 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCCO[C@H]1CC1(F)F ZINC000658606193 531518839 /nfs/dbraw/zinc/51/88/39/531518839.db2.gz NCBXSRPIBVZWAN-ZDUSSCGKSA-N 1 0 375.441 1.179 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000415566988 531495417 /nfs/dbraw/zinc/49/54/17/531495417.db2.gz SVZHKTQYGMOBLZ-UHFFFAOYSA-N 1 0 387.221 1.536 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CCC1 ZINC000415565977 531495767 /nfs/dbraw/zinc/49/57/67/531495767.db2.gz VKCHKQYFUTZKGS-UHFFFAOYSA-N 1 0 383.239 1.510 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)[C@@H](C)C[NH2+]1 ZINC000415571112 531496830 /nfs/dbraw/zinc/49/68/30/531496830.db2.gz SZNRCNNIWZCABX-SFYZADRCSA-N 1 0 376.201 1.875 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1c(F)cccc1I ZINC000268355832 531497469 /nfs/dbraw/zinc/49/74/69/531497469.db2.gz BCKAZFKDBHZWHM-JTQLQIEISA-N 1 0 391.228 1.406 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415580697 531498528 /nfs/dbraw/zinc/49/85/28/531498528.db2.gz RKQXRQPYXXVFDN-WDEREUQCSA-N 1 0 384.274 1.982 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c1OC ZINC000490054468 531518892 /nfs/dbraw/zinc/51/88/92/531518892.db2.gz OPYKGLLDIFOSLQ-SNVBAGLBSA-N 1 0 378.878 1.611 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)N[C@H](C)C[NH3+])c1C ZINC000415593696 531500078 /nfs/dbraw/zinc/50/00/78/531500078.db2.gz FGECQCXOPFMBCV-SECBINFHSA-N 1 0 394.273 1.654 20 0 GDADRO C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(c3cccc(Br)c3)CC2)CC1 ZINC000581602940 531501016 /nfs/dbraw/zinc/50/10/16/531501016.db2.gz BMAPYPYVZAZXNH-KRWDZBQOSA-N 1 0 382.346 1.679 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CCO1 ZINC000415600738 531501593 /nfs/dbraw/zinc/50/15/93/531501593.db2.gz OLUBAFHOAZSFRG-VIFPVBQESA-N 1 0 393.843 1.822 20 0 GDADRO O=C(CN1CCN(C[C@H]2COCCO2)CC1)Nc1ccc(Br)cc1 ZINC000581600057 531501782 /nfs/dbraw/zinc/50/17/82/531501782.db2.gz ZDFACPQEZDFFHN-INIZCTEOSA-N 1 0 398.301 1.421 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415613440 531503565 /nfs/dbraw/zinc/50/35/65/531503565.db2.gz AHADXZDTSPYISA-RDDDGLTNSA-N 1 0 376.201 1.780 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)C1 ZINC000635718252 531504942 /nfs/dbraw/zinc/50/49/42/531504942.db2.gz BTZMHOGSBNQCPK-MGPQQGTHSA-N 1 0 384.464 1.694 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)C1 ZINC000635718251 531505672 /nfs/dbraw/zinc/50/56/72/531505672.db2.gz BTZMHOGSBNQCPK-MCIONIFRSA-N 1 0 384.464 1.694 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415632930 531506113 /nfs/dbraw/zinc/50/61/13/531506113.db2.gz YJMRQYXTNCGNBJ-MRVPVSSYSA-N 1 0 390.209 1.485 20 0 GDADRO COCCOC[C@H](O)C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000450678248 531506255 /nfs/dbraw/zinc/50/62/55/531506255.db2.gz SLJMFRTXTUESFZ-NWDGAFQWSA-N 1 0 390.274 1.895 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415657697 531508727 /nfs/dbraw/zinc/50/87/27/531508727.db2.gz QGJBEYRXVVGUBW-HQJQHLMTSA-N 1 0 376.201 1.780 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC[NH2+]1 ZINC000415659488 531510082 /nfs/dbraw/zinc/51/00/82/531510082.db2.gz AEJKMZIUOOQFFK-VXNVDRBHSA-N 1 0 376.201 1.923 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)C1 ZINC000548936231 531520672 /nfs/dbraw/zinc/52/06/72/531520672.db2.gz OIOZJOKWVRAFJF-YPMHNXCESA-N 1 0 382.404 1.490 20 0 GDADRO O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415728440 531521314 /nfs/dbraw/zinc/52/13/14/531521314.db2.gz QYBCBNQVVJMVFH-JTQLQIEISA-N 1 0 389.258 1.577 20 0 GDADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415735518 531522245 /nfs/dbraw/zinc/52/22/45/531522245.db2.gz ZFAYTOJPJYTISY-GFCCVEGCSA-N 1 0 399.264 1.033 20 0 GDADRO CN(C(=O)C(=O)Nc1cc(I)ccc1Cl)C1C[NH2+]C1 ZINC000415729333 531522388 /nfs/dbraw/zinc/52/23/88/531522388.db2.gz BRNHHRLHPQFFOH-UHFFFAOYSA-N 1 0 393.612 1.313 20 0 GDADRO Cc1nc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)ccc1Br ZINC000415748094 531523713 /nfs/dbraw/zinc/52/37/13/531523713.db2.gz WXLFPYFCJPGIOD-HAQNSBGRSA-N 1 0 383.290 1.972 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)C2C[NH2+]C2)n(-c2cccc(Br)c2)n1 ZINC000415743811 531523732 /nfs/dbraw/zinc/52/37/32/531523732.db2.gz NPKBDKRHVXDKPJ-UHFFFAOYSA-N 1 0 392.257 1.312 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000550328459 531526496 /nfs/dbraw/zinc/52/64/96/531526496.db2.gz PZMWCVDWAKTQID-UHFFFAOYSA-N 1 0 386.949 1.504 20 0 GDADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415763816 531527484 /nfs/dbraw/zinc/52/74/84/531527484.db2.gz RSHWZXAFMDENPL-YABSGUDNSA-N 1 0 382.258 1.509 20 0 GDADRO Cn1ncc(I)c1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000550774388 531528303 /nfs/dbraw/zinc/52/83/03/531528303.db2.gz YEKNMBIWEWFVMO-UHFFFAOYSA-N 1 0 394.176 1.858 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000582012379 531529817 /nfs/dbraw/zinc/52/98/17/531529817.db2.gz GEDFCLBLJKUXMV-BYCMXARLSA-N 1 0 382.302 1.735 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415785874 531530245 /nfs/dbraw/zinc/53/02/45/531530245.db2.gz KSMALSDLCQDWKD-VIFPVBQESA-N 1 0 398.193 1.817 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)cc(Cl)c1F ZINC000415790752 531531395 /nfs/dbraw/zinc/53/13/95/531531395.db2.gz PSSCOXKIOGKCHD-SECBINFHSA-N 1 0 381.738 1.303 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000635895259 531520142 /nfs/dbraw/zinc/52/01/42/531520142.db2.gz MLKYFGVGBQRDKF-LBPRGKRZSA-N 1 0 383.290 1.961 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCc2ccc(Br)s2)CC[C@H]1F ZINC000659685617 531553289 /nfs/dbraw/zinc/55/32/89/531553289.db2.gz UFJKMWIYHJLHBY-NXEZZACHSA-N 1 0 378.267 1.067 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415830180 531539189 /nfs/dbraw/zinc/53/91/89/531539189.db2.gz HWTSZPKVRZUCAF-GHMZBOCLSA-N 1 0 384.274 1.948 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415834010 531539844 /nfs/dbraw/zinc/53/98/44/531539844.db2.gz KUFYIPGVVXZWFE-RKDXNWHRSA-N 1 0 388.251 1.962 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000558022839 531541464 /nfs/dbraw/zinc/54/14/64/531541464.db2.gz CPXZQEFJPSVEFB-LJISPDSOSA-N 1 0 385.555 1.604 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000415844889 531541860 /nfs/dbraw/zinc/54/18/60/531541860.db2.gz ZUOKJLRXDZIHFJ-JTQLQIEISA-N 1 0 379.766 1.792 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415843508 531542082 /nfs/dbraw/zinc/54/20/82/531542082.db2.gz XWRKKPVRKRDZJM-JGVFFNPUSA-N 1 0 376.201 1.909 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000415845528 531542235 /nfs/dbraw/zinc/54/22/35/531542235.db2.gz KBDPZSZTHZRLLB-GHMZBOCLSA-N 1 0 384.274 1.840 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415845806 531542317 /nfs/dbraw/zinc/54/23/17/531542317.db2.gz BDMSAXMTROVOLU-SNVBAGLBSA-N 1 0 389.681 1.061 20 0 GDADRO CC[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)sc2C1 ZINC000415844825 531542372 /nfs/dbraw/zinc/54/23/72/531542372.db2.gz UKYMDQAKUSNYTR-KWQFWETISA-N 1 0 378.420 1.992 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415848424 531542510 /nfs/dbraw/zinc/54/25/10/531542510.db2.gz DDRCANKDUCLPFQ-SNVBAGLBSA-N 1 0 388.237 1.411 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC[C@H]1F ZINC000659109685 531542606 /nfs/dbraw/zinc/54/26/06/531542606.db2.gz MBPJBNUQHVQVTI-GMSGAONNSA-N 1 0 380.164 1.564 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000415854249 531543323 /nfs/dbraw/zinc/54/33/23/531543323.db2.gz VVGPBHYRHQZVEU-GHMZBOCLSA-N 1 0 387.889 1.125 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415859131 531544802 /nfs/dbraw/zinc/54/48/02/531544802.db2.gz AILDFFJUGNNXAN-NWDGAFQWSA-N 1 0 396.285 1.773 20 0 GDADRO C[C@H](CNS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C[NH+]1CCCCC1 ZINC000451092463 531545555 /nfs/dbraw/zinc/54/55/55/531545555.db2.gz YOKAFWSQWVVNNU-OAHLLOKOSA-N 1 0 388.555 1.632 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415864264 531545906 /nfs/dbraw/zinc/54/59/06/531545906.db2.gz VYERDLLTCLQIEI-UHFFFAOYSA-N 1 0 388.251 1.977 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415877431 531548167 /nfs/dbraw/zinc/54/81/67/531548167.db2.gz ICRAZVGACUJGGQ-UHFFFAOYSA-N 1 0 381.601 1.300 20 0 GDADRO CC[NH2+]CCCNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000582290838 531548199 /nfs/dbraw/zinc/54/81/99/531548199.db2.gz NLARIDDCJWDLEC-UHFFFAOYSA-N 1 0 376.910 1.307 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c(Br)c1 ZINC000415873749 531548415 /nfs/dbraw/zinc/54/84/15/531548415.db2.gz VLBJHCRQIGDVOZ-QWRGUYRKSA-N 1 0 382.258 1.464 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)c1 ZINC000415876836 531548529 /nfs/dbraw/zinc/54/85/29/531548529.db2.gz IYOJZEMYVVDJJD-UHFFFAOYSA-N 1 0 382.258 1.822 20 0 GDADRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000582600409 531549394 /nfs/dbraw/zinc/54/93/94/531549394.db2.gz IFGHDHSXPSUKOK-WCQYABFASA-N 1 0 382.291 1.946 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415880698 531549384 /nfs/dbraw/zinc/54/93/84/531549384.db2.gz SDOJHQRIQUQNFP-UHFFFAOYSA-N 1 0 382.258 1.822 20 0 GDADRO Cc1cc(Br)cn2c(CN3CCN([C@H]4CC[NH2+]C4)CC3)cnc12 ZINC000491193973 531549814 /nfs/dbraw/zinc/54/98/14/531549814.db2.gz HXGRQAQAOARCBJ-HNNXBMFYSA-N 1 0 378.318 1.885 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)cc1Br ZINC000415883748 531550449 /nfs/dbraw/zinc/55/04/49/531550449.db2.gz ZFYAUSYPHIKSEA-UHFFFAOYSA-N 1 0 382.258 1.822 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])c1ccc(Br)cn1 ZINC000659677671 531550953 /nfs/dbraw/zinc/55/09/53/531550953.db2.gz RFKONFKRZFLCAM-WZRBSPASSA-N 1 0 383.290 1.607 20 0 GDADRO CS(=O)(=O)c1ccc(OCCNC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000416012178 531551575 /nfs/dbraw/zinc/55/15/75/531551575.db2.gz SGRZKYWOVZLNAZ-GFCCVEGCSA-N 1 0 383.392 1.048 20 0 GDADRO Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)s1 ZINC000415998370 531552914 /nfs/dbraw/zinc/55/29/14/531552914.db2.gz UCFDEHJSICKUAP-LBPRGKRZSA-N 1 0 378.420 1.804 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000491571335 531552953 /nfs/dbraw/zinc/55/29/53/531552953.db2.gz CGUZMZHZMZZPDQ-CYBMUJFWSA-N 1 0 380.461 1.270 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415796688 531533293 /nfs/dbraw/zinc/53/32/93/531533293.db2.gz XQGHCDBTOVGDKS-BQBZGAKWSA-N 1 0 379.173 1.221 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415801524 531534455 /nfs/dbraw/zinc/53/44/55/531534455.db2.gz GNDRBUJDUYXDTH-IUCAKERBSA-N 1 0 375.210 1.390 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)c(C)cc1Br ZINC000415820388 531535713 /nfs/dbraw/zinc/53/57/13/531535713.db2.gz ZTNRFTHZTBOWGB-UHFFFAOYSA-N 1 0 398.257 1.431 20 0 GDADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415820055 531536071 /nfs/dbraw/zinc/53/60/71/531536071.db2.gz KFEGZEVHFUAMTL-NXEZZACHSA-N 1 0 376.404 1.949 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000659698990 531555172 /nfs/dbraw/zinc/55/51/72/531555172.db2.gz ZQUGNPMPMDAZKC-UHFFFAOYSA-N 1 0 392.297 1.547 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659708258 531555432 /nfs/dbraw/zinc/55/54/32/531555432.db2.gz OEXDVHVFHSDGIJ-KCCQOBMMSA-N 1 0 396.285 1.585 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000659708122 531555808 /nfs/dbraw/zinc/55/58/08/531555808.db2.gz NCVYCEUTNLWYAE-NSHDSACASA-N 1 0 387.311 1.884 20 0 GDADRO CCOC[C@@H](C)CS(=O)(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000451147683 531556099 /nfs/dbraw/zinc/55/60/99/531556099.db2.gz OBFYBHLPMPDMAJ-KURKYZTESA-N 1 0 375.579 1.479 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659745992 531558738 /nfs/dbraw/zinc/55/87/38/531558738.db2.gz XPXZHGUVNHTORF-UHFFFAOYSA-N 1 0 396.285 1.155 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000659756436 531559672 /nfs/dbraw/zinc/55/96/72/531559672.db2.gz RIZCBXBIGGNZCU-WDEREUQCSA-N 1 0 376.284 1.943 20 0 GDADRO C[C@](O)(C[NH+]1CCC(O)(C(N)=O)CC1)c1ccc(Br)cc1F ZINC000295314371 531560057 /nfs/dbraw/zinc/56/00/57/531560057.db2.gz LDHAZXTVXQNQEN-AWEZNQCLSA-N 1 0 375.238 1.108 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC[C@@H]1Sc2ccccc2NC1=O ZINC000659837561 531562905 /nfs/dbraw/zinc/56/29/05/531562905.db2.gz JNWPAZYFAZXTEE-BBRMVZONSA-N 1 0 383.539 1.893 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC[C@H]1Sc2ccccc2NC1=O ZINC000659837566 531563074 /nfs/dbraw/zinc/56/30/74/531563074.db2.gz JNWPAZYFAZXTEE-XJKSGUPXSA-N 1 0 383.539 1.893 20 0 GDADRO CSC1(CNS(=O)(=O)c2cccc(C(=O)N(C)C)c2)CC[NH+](C)CC1 ZINC000558484076 531563095 /nfs/dbraw/zinc/56/30/95/531563095.db2.gz SLMJOCGPVCYVEQ-UHFFFAOYSA-N 1 0 385.555 1.494 20 0 GDADRO O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)NCCCCC[NH+]1CCCCC1 ZINC000451198061 531565892 /nfs/dbraw/zinc/56/58/92/531565892.db2.gz TWVWTYIMSONJHM-MRXNPFEDSA-N 1 0 380.576 1.387 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000268788389 531568912 /nfs/dbraw/zinc/56/89/12/531568912.db2.gz FTOLDMVWJVLRBW-AWEZNQCLSA-N 1 0 389.949 1.996 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000364481590 531568301 /nfs/dbraw/zinc/56/83/01/531568301.db2.gz IEULYWMCWMRTNM-ZDUSSCGKSA-N 1 0 385.917 1.949 20 0 GDADRO CC(C)O[C@]1(CS(=O)(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC000659925849 531571228 /nfs/dbraw/zinc/57/12/28/531571228.db2.gz RDNHJYWHZCWIRT-XMTFNYHQSA-N 1 0 376.563 1.856 20 0 GDADRO O=C(CNS(=O)(=O)c1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000493214615 531571836 /nfs/dbraw/zinc/57/18/36/531571836.db2.gz JTKSOZLLCRFNEJ-UHFFFAOYSA-N 1 0 379.507 1.371 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1csc(C(F)(F)F)n1 ZINC000583435670 531576176 /nfs/dbraw/zinc/57/61/76/531576176.db2.gz XSWWKHMWNUGMLC-QMMMGPOBSA-N 1 0 376.326 1.728 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000636770628 531578471 /nfs/dbraw/zinc/57/84/71/531578471.db2.gz VNOWUHMJNGJIOO-ZIAGYGMSSA-N 1 0 397.317 1.394 20 0 GDADRO C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281115862 531580167 /nfs/dbraw/zinc/58/01/67/531580167.db2.gz MEQCNEIMKUYWMY-LQJGKPAFSA-N 1 0 383.333 1.514 20 0 GDADRO C[C@@H]1[C@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)CCS1(=O)=O ZINC000636801555 531580272 /nfs/dbraw/zinc/58/02/72/531580272.db2.gz WUMGXWBATKUVBC-HUUCEWRRSA-N 1 0 389.587 1.613 20 0 GDADRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281103124 531579823 /nfs/dbraw/zinc/57/98/23/531579823.db2.gz LFJOCDYFWVEASN-VIFPVBQESA-N 1 0 392.319 1.519 20 0 GDADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000660008745 531583827 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O=C(NCc1cc(Br)c2c(c1)OCCO2)NCC1=CC[NH2+]CC1 ZINC000561151310 531684054 /nfs/dbraw/zinc/68/40/54/531684054.db2.gz BQZZAMQFSJXKLX-UHFFFAOYSA-N 1 0 382.258 1.939 20 0 GDADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000281975226 531685947 /nfs/dbraw/zinc/68/59/47/531685947.db2.gz KGIYBDPTXZNVMX-LLVKDONJSA-N 1 0 390.531 1.861 20 0 GDADRO CC(C)[C@H](NCC(F)(F)F)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000662562022 531686733 /nfs/dbraw/zinc/68/67/33/531686733.db2.gz WGXCZHFKVPBKMB-MNOVXSKESA-N 1 0 378.361 1.115 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000662552261 531686752 /nfs/dbraw/zinc/68/67/52/531686752.db2.gz QUHNYYOLYJGVQL-KBPBESRZSA-N 1 0 384.274 1.049 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000662548074 531686945 /nfs/dbraw/zinc/68/69/45/531686945.db2.gz AYZDLLXKLWYMBL-NSHDSACASA-N 1 0 381.274 1.231 20 0 GDADRO CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000561223269 531687691 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COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1Cl ZINC000269744919 531735014 /nfs/dbraw/zinc/73/50/14/531735014.db2.gz WKJLOBNODZRSFV-GFCCVEGCSA-N 1 0 390.889 1.252 20 0 GDADRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)N(C)C ZINC000562114708 531736273 /nfs/dbraw/zinc/73/62/73/531736273.db2.gz ISVOMJRXNGYJKP-LLVKDONJSA-N 1 0 381.420 1.904 20 0 GDADRO CC(C)[NH+]1CCN(CCCN2C(=O)c3ccc(Cl)cc3S2(=O)=O)CC1 ZINC000282312246 531736284 /nfs/dbraw/zinc/73/62/84/531736284.db2.gz YLFPBWIUGZHELI-UHFFFAOYSA-N 1 0 385.917 1.901 20 0 GDADRO [NH3+][C@@H](CNC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1)C1CC1 ZINC000640312591 531738991 /nfs/dbraw/zinc/73/89/91/531738991.db2.gz AITWDMQBAVDRGF-UONOGXRCSA-N 1 0 381.274 1.369 20 0 GDADRO CNS(=O)(=O)CC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000621287446 531742556 /nfs/dbraw/zinc/74/25/56/531742556.db2.gz NSHWFVYXCUBHEN-UHFFFAOYSA-N 1 0 382.404 1.730 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)s1 ZINC000416864832 531744379 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CC[NH2+]Cc1cn(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)nn1 ZINC000641027843 531774129 /nfs/dbraw/zinc/77/41/29/531774129.db2.gz QMFVWZHGKNJGHN-UHFFFAOYSA-N 1 0 377.495 1.963 20 0 GDADRO CCS(=O)(=O)NCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000366722656 531774310 /nfs/dbraw/zinc/77/43/10/531774310.db2.gz XUZCQWUZDOSAKP-YIONKMFJSA-N 1 0 375.535 1.788 20 0 GDADRO CCc1nc([C@@H](C)NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000417599390 531783195 /nfs/dbraw/zinc/78/31/95/531783195.db2.gz HOQHFKHEPLOSCR-ZYHUDNBSSA-N 1 0 379.452 1.902 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)[C@H]1C ZINC000417481442 531776263 /nfs/dbraw/zinc/77/62/63/531776263.db2.gz HKNOGXKPYYQOEU-OLZOCXBDSA-N 1 0 397.317 1.961 20 0 GDADRO COc1cc(Cn2cc(CN3CC[NH+](C)CC3)nn2)c(Br)cn1 ZINC000641103710 531777633 /nfs/dbraw/zinc/77/76/33/531777633.db2.gz OTUZPTVWEAFCHC-UHFFFAOYSA-N 1 0 381.278 1.240 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000562757940 531778429 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[NH3+]C1CCC(NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000417940453 531791934 /nfs/dbraw/zinc/79/19/34/531791934.db2.gz YUAUVPLRNTYNDB-UHFFFAOYSA-N 1 0 380.923 1.249 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(I)cc1 ZINC000592523080 531793656 /nfs/dbraw/zinc/79/36/56/531793656.db2.gz JAZMMRBFLNSRFL-GFCCVEGCSA-N 1 0 387.265 1.843 20 0 GDADRO C[NH2+]CCNC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000418017400 531797708 /nfs/dbraw/zinc/79/77/08/531797708.db2.gz SLQZKVAPWVCXJT-AWEZNQCLSA-N 1 0 383.290 1.772 20 0 GDADRO COc1cc(CS(=O)(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)sn1 ZINC000641294104 531798063 /nfs/dbraw/zinc/79/80/63/531798063.db2.gz FRYZLLMXPNTRLH-HZSPNIEDSA-N 1 0 389.543 1.555 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000623072219 531798285 /nfs/dbraw/zinc/79/82/85/531798285.db2.gz WUSVFHMMTIFCSL-OCCSQVGLSA-N 1 0 394.273 1.460 20 0 GDADRO O=C(c1nc(C2CC2)ncc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000623062294 531798399 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[NH3+]CC1CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000418151799 531807075 /nfs/dbraw/zinc/80/70/75/531807075.db2.gz GCRSJXVCISFOPY-UHFFFAOYSA-N 1 0 392.884 1.138 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000418157003 531807529 /nfs/dbraw/zinc/80/75/29/531807529.db2.gz BFCDHKHKHFOCQE-SNVBAGLBSA-N 1 0 381.420 1.906 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418164793 531810280 /nfs/dbraw/zinc/81/02/80/531810280.db2.gz INGFBTAZPGNTBH-KGLIPLIRSA-N 1 0 388.559 1.575 20 0 GDADRO COc1cc(CS(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)sn1 ZINC000641369191 531810928 /nfs/dbraw/zinc/81/09/28/531810928.db2.gz ZWJDRSUVEHJWAS-UHFFFAOYSA-N 1 0 377.532 1.461 20 0 GDADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000563129071 531811400 /nfs/dbraw/zinc/81/14/00/531811400.db2.gz UYEKEMLFTSGKNN-AWEZNQCLSA-N 1 0 387.527 1.019 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000563142825 531811859 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O=C(CCNC(=O)NC[C@@H]1C[NH2+]CCO1)Nc1cc(Cl)cc(Cl)c1 ZINC000418222828 531815439 /nfs/dbraw/zinc/81/54/39/531815439.db2.gz WVHUEDWEVWJPAO-ZDUSSCGKSA-N 1 0 375.256 1.610 20 0 GDADRO CC1(C)CN(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC[NH2+]1 ZINC000669583992 531815818 /nfs/dbraw/zinc/81/58/18/531815818.db2.gz GNNULYOWWPFSFW-ZDUSSCGKSA-N 1 0 386.543 1.152 20 0 GDADRO COCC[NH2+]CCNC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000418215341 531816548 /nfs/dbraw/zinc/81/65/48/531816548.db2.gz JWEYNIHURQORBD-UHFFFAOYSA-N 1 0 377.272 1.857 20 0 GDADRO O=C(CN1C[C@@H]2C[C@H]1C[S@]2=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000593100465 531817220 /nfs/dbraw/zinc/81/72/20/531817220.db2.gz NQLFMMLSFNFRGC-XOWTYJCDSA-N 1 0 379.551 1.379 20 0 GDADRO C[C@H](NC(=O)NCc1nn(C)cc1I)[C@@H]1CCC[NH2+]C1 ZINC000418270551 531817386 /nfs/dbraw/zinc/81/73/86/531817386.db2.gz ZEECPSYTDQSGMJ-VHSXEESVSA-N 1 0 391.257 1.212 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000282995754 531817733 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O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)NC1CC[NH2+]CC1 ZINC000418304838 531820853 /nfs/dbraw/zinc/82/08/53/531820853.db2.gz GVATZCKNIBAYQS-GFCCVEGCSA-N 1 0 388.281 1.790 20 0 GDADRO C[C@H]([NH2+]C[C@H]1COCCN1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624177035 531833046 /nfs/dbraw/zinc/83/30/46/531833046.db2.gz WLRWCFSEZPRNLC-UWVGGRQHSA-N 1 0 382.313 1.622 20 0 GDADRO COC[C@]1(CNC(=O)NCC(=O)Nc2cccc(Br)c2)CCC[NH2+]1 ZINC000418650002 531833109 /nfs/dbraw/zinc/83/31/09/531833109.db2.gz FIVYLUVDXZTXEW-MRXNPFEDSA-N 1 0 399.289 1.455 20 0 GDADRO CN1CCOC[C@@H]1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000624174930 531833468 /nfs/dbraw/zinc/83/34/68/531833468.db2.gz GWMGEIAVODEBFN-JSGCOSHPSA-N 1 0 389.315 1.588 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1I)[NH+](C)C ZINC000453964267 531834748 /nfs/dbraw/zinc/83/47/48/531834748.db2.gz XLXNTJCMNVNBRV-VIFPVBQESA-N 1 0 375.210 1.296 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000297922850 531835049 /nfs/dbraw/zinc/83/50/49/531835049.db2.gz QIOXZTHKNYPMFY-OAHLLOKOSA-N 1 0 382.302 1.960 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)C2)CC1 ZINC000270176857 531836034 /nfs/dbraw/zinc/83/60/34/531836034.db2.gz WHTZTLJJUHAVRM-CQSZACIVSA-N 1 0 385.917 1.791 20 0 GDADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418755049 531837481 /nfs/dbraw/zinc/83/74/81/531837481.db2.gz BKOKNJMVVCVGKX-LBPRGKRZSA-N 1 0 392.319 1.657 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000418778365 531838798 /nfs/dbraw/zinc/83/87/98/531838798.db2.gz IQKUITLJYZIPMV-ABAIWWIYSA-N 1 0 398.301 1.802 20 0 GDADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)NC[C@@H]1C[NH2+]CCCO1 ZINC000418781138 531839378 /nfs/dbraw/zinc/83/93/78/531839378.db2.gz CXPFBSYXAHPMKR-NEPJUHHUSA-N 1 0 392.283 1.411 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000418781927 531839570 /nfs/dbraw/zinc/83/95/70/531839570.db2.gz MQIHETVCEXEEOW-YGRLFVJLSA-N 1 0 384.274 1.318 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000624370358 531839710 /nfs/dbraw/zinc/83/97/10/531839710.db2.gz HVFNHPQLZPSXSN-OLZOCXBDSA-N 1 0 375.441 1.878 20 0 GDADRO C[C@H]1CN(CCS(=O)(=O)CC(=O)OC(C)(C)C)CC2(CCOCC2)O1 ZINC000367356296 531831119 /nfs/dbraw/zinc/83/11/19/531831119.db2.gz LSQUHTCLBRIGAS-AWEZNQCLSA-N 1 0 377.503 1.013 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000418597093 531831752 /nfs/dbraw/zinc/83/17/52/531831752.db2.gz ZYDFFRHBMHBPKA-CYBMUJFWSA-N 1 0 388.921 1.354 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418836214 531849078 /nfs/dbraw/zinc/84/90/78/531849078.db2.gz QULZPPMGMNQGGK-BSLXNSKLSA-N 1 0 380.286 1.678 20 0 GDADRO CC(=O)N1CCN(CCNC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000270253696 531849331 /nfs/dbraw/zinc/84/93/31/531849331.db2.gz NUWKCKFFUHHLFL-OAHLLOKOSA-N 1 0 396.285 1.205 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418836597 531850599 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COc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000418784667 531841533 /nfs/dbraw/zinc/84/15/33/531841533.db2.gz PZEWILHOYRNAEM-QMTHXVAHSA-N 1 0 384.274 1.270 20 0 GDADRO C[C@@H](CCNS(=O)(=O)c1cnn2cc(Br)cnc12)[NH+](C)C ZINC000641607696 531841844 /nfs/dbraw/zinc/84/18/44/531841844.db2.gz XJBBXWORWHOBHM-VIFPVBQESA-N 1 0 376.280 1.110 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cccc(Cl)c1Br ZINC000624397201 531842273 /nfs/dbraw/zinc/84/22/73/531842273.db2.gz SODODKHVUHXZPU-UHFFFAOYSA-N 1 0 385.711 1.959 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1cc(Br)ccc1Br ZINC000418808533 531842630 /nfs/dbraw/zinc/84/26/30/531842630.db2.gz RAELLZIGWXKITA-SSDOTTSWSA-N 1 0 393.079 1.291 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1OC ZINC000624403997 531842806 /nfs/dbraw/zinc/84/28/06/531842806.db2.gz FLCZIGIEELHELV-MWLCHTKSSA-N 1 0 375.878 1.127 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418806292 531843103 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1.456 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC[C@H]1[NH3+] ZINC000418817354 531846777 /nfs/dbraw/zinc/84/67/77/531846777.db2.gz ZZBHIFZRQYFOFR-VNLRXTSXSA-N 1 0 398.276 1.756 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418828127 531847276 /nfs/dbraw/zinc/84/72/76/531847276.db2.gz MEKRKXBBVFYRJN-YODMDTAWSA-N 1 0 378.270 1.099 20 0 GDADRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC000563839938 531865870 /nfs/dbraw/zinc/86/58/70/531865870.db2.gz FDJFMXUAEKPJFP-ZIAGYGMSSA-N 1 0 387.933 1.997 20 0 GDADRO CCOC1(CS(=O)(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CCOCC1 ZINC000624951910 531865967 /nfs/dbraw/zinc/86/59/67/531865967.db2.gz LBJUGNLBLGPDLV-UHFFFAOYSA-N 1 0 376.563 1.954 20 0 GDADRO O=C(NCC1(c2ccc(Br)cc2)CCC1)C(=O)N1CC[NH2+]CC1 ZINC000418933482 531866108 /nfs/dbraw/zinc/86/61/08/531866108.db2.gz JCNRVFNHQGFXHI-UHFFFAOYSA-N 1 0 380.286 1.419 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Cc3csc(-c4ccc(Cl)s4)n3)CCN2C1=O ZINC000563976193 531866896 /nfs/dbraw/zinc/86/68/96/531866896.db2.gz SYWUTTZHHZGNBX-GHMZBOCLSA-N 1 0 396.925 1.838 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCC2([NH3+])CCCC2)c(Br)c1 ZINC000595119468 531867171 /nfs/dbraw/zinc/86/71/71/531867171.db2.gz ALKNACYBCWGXDH-UHFFFAOYSA-N 1 0 391.287 1.786 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])Sc1ccc(Br)cc1 ZINC000418941954 531868869 /nfs/dbraw/zinc/86/88/69/531868869.db2.gz WXOPLJQABJOWJG-SNVBAGLBSA-N 1 0 388.331 1.899 20 0 GDADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)CN(C)C3CC3)nc12 ZINC000564873322 531869040 /nfs/dbraw/zinc/86/90/40/531869040.db2.gz NAUMBEINQPFICL-INIZCTEOSA-N 1 0 381.318 1.992 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418857031 531856486 /nfs/dbraw/zinc/85/64/86/531856486.db2.gz QWUHKXZODBSCAB-ZIAGYGMSSA-N 1 0 380.286 1.442 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCCc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000642279112 531856771 /nfs/dbraw/zinc/85/67/71/531856771.db2.gz HGMXAVYYQKCLHR-HIFRSBDPSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)cn1 ZINC000418860826 531857176 /nfs/dbraw/zinc/85/71/76/531857176.db2.gz DEFGRJDUBAZJSB-ZBEGNZNMSA-N 1 0 383.290 1.527 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)cn1 ZINC000418860824 531857352 /nfs/dbraw/zinc/85/73/52/531857352.db2.gz DEFGRJDUBAZJSB-BZNIZROVSA-N 1 0 383.290 1.527 20 0 GDADRO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000563597788 531857310 /nfs/dbraw/zinc/85/73/10/531857310.db2.gz ANBNXTXTXWPNIR-HNNXBMFYSA-N 1 0 376.567 1.466 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418865619 531857688 /nfs/dbraw/zinc/85/76/88/531857688.db2.gz LOCZZUYEXFJYGX-GFCCVEGCSA-N 1 0 387.311 1.932 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418872410 531858136 /nfs/dbraw/zinc/85/81/36/531858136.db2.gz WNLXSOBCBXEUHU-ZDUSSCGKSA-N 1 0 397.317 1.260 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000418868278 531858427 /nfs/dbraw/zinc/85/84/27/531858427.db2.gz POBLNMIKNDNUFN-GFCCVEGCSA-N 1 0 397.317 1.869 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)cn1 ZINC000418870758 531858468 /nfs/dbraw/zinc/85/84/68/531858468.db2.gz STOPJLLDSFJFOW-MISXGVKJSA-N 1 0 383.290 1.655 20 0 GDADRO CSC1(CNC(=O)c2cnc3sc(C)c(C)n3c2=O)CC[NH+](C)CC1 ZINC000563656903 531858674 /nfs/dbraw/zinc/85/86/74/531858674.db2.gz OTJNEZPPQUPJBF-UHFFFAOYSA-N 1 0 380.539 1.930 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(Br)cn1 ZINC000418872657 531858699 /nfs/dbraw/zinc/85/86/99/531858699.db2.gz WKBRUBAFYBXUGE-QMTHXVAHSA-N 1 0 383.290 1.655 20 0 GDADRO CCCN(C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1)[C@H]1CC[NH2+]C1 ZINC000418866854 531858897 /nfs/dbraw/zinc/85/88/97/531858897.db2.gz NJWVCEGBTKLDTF-AAEUAGOBSA-N 1 0 383.290 1.622 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000418913831 531861296 /nfs/dbraw/zinc/86/12/96/531861296.db2.gz OHEJUCSYSBPSIW-BXUZGUMPSA-N 1 0 385.917 1.778 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000671962288 531861477 /nfs/dbraw/zinc/86/14/77/531861477.db2.gz LSYSUXWWNZEKAQ-AWEZNQCLSA-N 1 0 382.302 1.893 20 0 GDADRO CN(C(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418889527 531862273 /nfs/dbraw/zinc/86/22/73/531862273.db2.gz HWVKTXRDROHMSJ-GVARAGBVSA-N 1 0 386.279 1.147 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CCO1 ZINC000642756842 531863006 /nfs/dbraw/zinc/86/30/06/531863006.db2.gz CUPLETBOTYJENV-SUNKGSAMSA-N 1 0 388.295 1.788 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418918971 531863169 /nfs/dbraw/zinc/86/31/69/531863169.db2.gz DRTOYYMLAWWDAZ-ZDUSSCGKSA-N 1 0 388.281 1.881 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642712831 531863622 /nfs/dbraw/zinc/86/36/22/531863622.db2.gz SNMDZSKCXGADQO-CJNGLKHVSA-N 1 0 394.313 1.893 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000642769527 531863946 /nfs/dbraw/zinc/86/39/46/531863946.db2.gz SNLZLYZPDQNUJD-GXFFZTMASA-N 1 0 388.299 1.502 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000563811566 531864065 /nfs/dbraw/zinc/86/40/65/531864065.db2.gz AVSUWCKLMGIJBU-SNVBAGLBSA-N 1 0 382.313 1.761 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCCc2cc(Br)ccc2F)C1 ZINC000418928628 531864290 /nfs/dbraw/zinc/86/42/90/531864290.db2.gz ZNRDBWOENOLJBV-QWHCGFSZSA-N 1 0 386.265 1.633 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418929455 531864427 /nfs/dbraw/zinc/86/44/27/531864427.db2.gz ADKCVLRPJJBPJR-SMDDNHRTSA-N 1 0 384.274 1.058 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)CSCCF)c1 ZINC000595018781 531864384 /nfs/dbraw/zinc/86/43/84/531864384.db2.gz GMECNBLPOVQSBM-NEPJUHHUSA-N 1 0 377.507 1.603 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc(Br)c1C ZINC000564960278 531871157 /nfs/dbraw/zinc/87/11/57/531871157.db2.gz LTOXJBCMRXAKMB-JTQLQIEISA-N 1 0 391.287 1.656 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000595245812 531872041 /nfs/dbraw/zinc/87/20/41/531872041.db2.gz WUOJKIJALRWBDS-SSDOTTSWSA-N 1 0 395.628 1.607 20 0 GDADRO COC(=O)[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccccc1Br ZINC000595256638 531872762 /nfs/dbraw/zinc/87/27/62/531872762.db2.gz PHWFYJOMTZZWQD-XHDPSFHLSA-N 1 0 385.258 1.548 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c(Cl)c1 ZINC000564967504 531873174 /nfs/dbraw/zinc/87/31/74/531873174.db2.gz PMUAPRXEBVOMQP-LBPRGKRZSA-N 1 0 389.905 1.357 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000298288979 531873357 /nfs/dbraw/zinc/87/33/57/531873357.db2.gz DVUJLIUBAWUNSE-UHFFFAOYSA-N 1 0 392.319 1.184 20 0 GDADRO COc1ccc(C(=O)CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)cc1Br ZINC000565654929 531875061 /nfs/dbraw/zinc/87/50/61/531875061.db2.gz OHFPKBMLQLDZCF-MRXNPFEDSA-N 1 0 396.241 1.314 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000565660300 531875244 /nfs/dbraw/zinc/87/52/44/531875244.db2.gz YLGIMYZMARYRHD-NEPJUHHUSA-N 1 0 388.511 1.554 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418990555 531875773 /nfs/dbraw/zinc/87/57/73/531875773.db2.gz LIQUBILXUXYGAJ-QGZVFWFLSA-N 1 0 380.286 1.320 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000283562347 531876522 /nfs/dbraw/zinc/87/65/22/531876522.db2.gz NMQVOUIXAHVNGV-IUODEOHRSA-N 1 0 382.302 1.864 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000418995087 531877088 /nfs/dbraw/zinc/87/70/88/531877088.db2.gz RCBWAROWGFNVBU-KRWDZBQOSA-N 1 0 380.286 1.586 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)cc1Br ZINC000419001330 531877225 /nfs/dbraw/zinc/87/72/25/531877225.db2.gz APKYKCTUNDDKFI-NEPJUHHUSA-N 1 0 398.301 1.751 20 0 GDADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)s2)c1 ZINC000566108714 531880011 /nfs/dbraw/zinc/88/00/11/531880011.db2.gz ZBCUFUDVJVCYGM-NSHDSACASA-N 1 0 390.914 1.887 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000566101576 531880416 /nfs/dbraw/zinc/88/04/16/531880416.db2.gz DMBJZEMRGFZWKT-SNVBAGLBSA-N 1 0 396.207 1.981 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)s1 ZINC000283639228 531881325 /nfs/dbraw/zinc/88/13/25/531881325.db2.gz XJVKDRUFACREAH-UHFFFAOYSA-N 1 0 386.499 1.755 20 0 GDADRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)CC[NH2+]1 ZINC000595412507 531881620 /nfs/dbraw/zinc/88/16/20/531881620.db2.gz MFONOOUVEKWCMJ-ZDUSSCGKSA-N 1 0 394.278 1.910 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000673590086 531881862 /nfs/dbraw/zinc/88/18/62/531881862.db2.gz ISRWWHSLPCKDOG-AWEZNQCLSA-N 1 0 391.559 1.302 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419028158 531883719 /nfs/dbraw/zinc/88/37/19/531883719.db2.gz WIEFSGDJKQTYKV-AWEZNQCLSA-N 1 0 396.285 1.647 20 0 GDADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@H](O)CN3CCOCC3)nc12 ZINC000564873546 531869652 /nfs/dbraw/zinc/86/96/52/531869652.db2.gz PVQUVUGSQLTGRS-HNNXBMFYSA-N 1 0 383.290 1.188 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC[NH2+]1 ZINC000418951246 531870179 /nfs/dbraw/zinc/87/01/79/531870179.db2.gz WYGXQOQQYKZKGM-WDBKCZKBSA-N 1 0 380.286 1.809 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419048779 531891166 /nfs/dbraw/zinc/89/11/66/531891166.db2.gz APOMLMPLGNEYPI-UPJWGTAASA-N 1 0 382.302 1.705 20 0 GDADRO CC[C@@H]1CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[C@H]1[NH3+] ZINC000647004696 531892004 /nfs/dbraw/zinc/89/20/04/531892004.db2.gz ONVBPUITTNZIRC-QMTHXVAHSA-N 1 0 394.269 1.631 20 0 GDADRO CC[C@@H]1CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[C@@H]1[NH3+] ZINC000647004697 531892506 /nfs/dbraw/zinc/89/25/06/531892506.db2.gz ONVBPUITTNZIRC-YGRLFVJLSA-N 1 0 394.269 1.631 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC000419052412 531892884 /nfs/dbraw/zinc/89/28/84/531892884.db2.gz HUCNYHSVHWAKKL-CMPLNLGQSA-N 1 0 386.265 1.456 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H](C)Cc2ccccc2Br)C1 ZINC000419051717 531892911 /nfs/dbraw/zinc/89/29/11/531892911.db2.gz GMXDLNOKVOLLPI-CHWSQXEVSA-N 1 0 382.302 1.564 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000647019297 531892903 /nfs/dbraw/zinc/89/29/03/531892903.db2.gz RZLCYAWNRSHSKJ-CYBMUJFWSA-N 1 0 379.404 1.917 20 0 GDADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000270553545 531893103 /nfs/dbraw/zinc/89/31/03/531893103.db2.gz RTPVFIBSVJPHDN-LBPRGKRZSA-N 1 0 381.527 1.210 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)s2)cs1 ZINC000419055785 531893264 /nfs/dbraw/zinc/89/32/64/531893264.db2.gz BXJQXUIXSVBONJ-LBPRGKRZSA-N 1 0 378.523 1.707 20 0 GDADRO COc1ncc(S(=O)(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1Cl ZINC000647270611 531893889 /nfs/dbraw/zinc/89/38/89/531893889.db2.gz CVZDQBQXOWZISA-UHFFFAOYSA-N 1 0 386.861 1.268 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419054936 531893898 /nfs/dbraw/zinc/89/38/98/531893898.db2.gz NDDCJZBSMVCRBL-QWRGUYRKSA-N 1 0 386.265 1.456 20 0 GDADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[NH+](C)C ZINC000674243836 531894039 /nfs/dbraw/zinc/89/40/39/531894039.db2.gz WMMSTLLRUKMAAM-NSHDSACASA-N 1 0 394.324 1.776 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(Br)c2Cl)[C@@H](C)C[NH2+]1 ZINC000419056375 531894815 /nfs/dbraw/zinc/89/48/15/531894815.db2.gz QZQVKPXFLLXGCM-ZJUUUORDSA-N 1 0 388.693 1.928 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000368143507 531895295 /nfs/dbraw/zinc/89/52/95/531895295.db2.gz DJFGWBDZSWXJDL-AWEZNQCLSA-N 1 0 387.889 1.394 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419056591 531895413 /nfs/dbraw/zinc/89/54/13/531895413.db2.gz RPZQVSHRQLXTMU-UHFFFAOYSA-N 1 0 376.682 1.835 20 0 GDADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368145126 531896396 /nfs/dbraw/zinc/89/63/96/531896396.db2.gz YPDRPOQAVBYTHC-AWEZNQCLSA-N 1 0 380.286 1.827 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1sc2c(c1I)CNC2 ZINC000595960008 531898095 /nfs/dbraw/zinc/89/80/95/531898095.db2.gz RMXGCECISMEATF-YUMQZZPRSA-N 1 0 391.278 1.908 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419078046 531898254 /nfs/dbraw/zinc/89/82/54/531898254.db2.gz SKMZXOLAIVSHPC-OLZOCXBDSA-N 1 0 397.317 1.245 20 0 GDADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368171500 531898598 /nfs/dbraw/zinc/89/85/98/531898598.db2.gz RGBJKFLKDFCQOR-VXGBXAGGSA-N 1 0 387.299 1.614 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595422644 531884855 /nfs/dbraw/zinc/88/48/55/531884855.db2.gz OTRMIRXQYRSIMD-CYBMUJFWSA-N 1 0 389.543 1.781 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419032992 531884908 /nfs/dbraw/zinc/88/49/08/531884908.db2.gz BWKJCJWIFMHJRZ-HONMWMINSA-N 1 0 396.285 1.503 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000419038275 531885726 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20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419044171 531888040 /nfs/dbraw/zinc/88/80/40/531888040.db2.gz SLKCIQKZFFLRKO-UHIISALHSA-N 1 0 396.285 1.775 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1nc(C(F)(F)F)cs1 ZINC000419042548 531888605 /nfs/dbraw/zinc/88/86/05/531888605.db2.gz LUGPONDAPRVLGD-VHSXEESVSA-N 1 0 378.420 1.988 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCC(C)([NH3+])CC1 ZINC000647924227 531905196 /nfs/dbraw/zinc/90/51/96/531905196.db2.gz QADILJOFYXRSHS-UHFFFAOYSA-N 1 0 388.555 1.457 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419151966 531905663 /nfs/dbraw/zinc/90/56/63/531905663.db2.gz MYOKXXBWHNNZIE-CQSZACIVSA-N 1 0 398.301 1.375 20 0 GDADRO O=C(CN1CCC([NH+]2CCOCC2)CC1)Nc1ccc(Br)cn1 ZINC000625548191 531905991 /nfs/dbraw/zinc/90/59/91/531905991.db2.gz FZTKVHGSUCRCOQ-UHFFFAOYSA-N 1 0 383.290 1.579 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000368368912 531906529 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20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1F ZINC000368384484 531908449 /nfs/dbraw/zinc/90/84/49/531908449.db2.gz JFNPJFYRCKPFKM-IUCAKERBSA-N 1 0 397.241 1.422 20 0 GDADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000456363286 531909013 /nfs/dbraw/zinc/90/90/13/531909013.db2.gz XINVAWOWXOVWLR-LBPRGKRZSA-N 1 0 375.441 1.186 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000419191009 531909978 /nfs/dbraw/zinc/90/99/78/531909978.db2.gz NDVPFGIIFKCHNZ-AWEZNQCLSA-N 1 0 382.302 1.566 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000419189161 531910407 /nfs/dbraw/zinc/91/04/07/531910407.db2.gz LHQWTYOZSWNFFT-OAHLLOKOSA-N 1 0 382.302 1.708 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)cc2)[C@H]1C[NH3+] ZINC000419185981 531910562 /nfs/dbraw/zinc/91/05/62/531910562.db2.gz HUXWCVUEKSXJMS-DOMZBBRYSA-N 1 0 382.302 1.694 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419184180 531910593 /nfs/dbraw/zinc/91/05/93/531910593.db2.gz JKNPFPOPJFTUNY-OCCSQVGLSA-N 1 0 397.317 1.258 20 0 GDADRO C[NH2+][C@@H](C)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000568532413 531911567 /nfs/dbraw/zinc/91/15/67/531911567.db2.gz HAEWWYNMMACMDL-LBPRGKRZSA-N 1 0 384.274 1.107 20 0 GDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccccc1OC(F)F ZINC000675818513 531912315 /nfs/dbraw/zinc/91/23/15/531912315.db2.gz AUXJWIBNUMLXSM-ZDUSSCGKSA-N 1 0 377.457 1.516 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000270708546 531912770 /nfs/dbraw/zinc/91/27/70/531912770.db2.gz HKMGBXMTKVYEJL-JTQLQIEISA-N 1 0 377.869 1.540 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419206919 531913038 /nfs/dbraw/zinc/91/30/38/531913038.db2.gz NSGSATNHEMRJCT-UHFFFAOYSA-N 1 0 384.274 1.332 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000567612624 531900101 /nfs/dbraw/zinc/90/01/01/531900101.db2.gz YAHMXRZOVVGLHW-QWHCGFSZSA-N 1 0 377.532 1.121 20 0 GDADRO O=C(NCCc1ccc(Br)s1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419107823 531901003 /nfs/dbraw/zinc/90/10/03/531901003.db2.gz FMYSRQUBBIYTKV-LLVKDONJSA-N 1 0 388.331 1.675 20 0 GDADRO Cc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)s1 ZINC000283838993 531901598 /nfs/dbraw/zinc/90/15/98/531901598.db2.gz ALRYYIQEADVNAT-PXAZEXFGSA-N 1 0 384.571 1.833 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000419135808 531902394 /nfs/dbraw/zinc/90/23/94/531902394.db2.gz NQLLTYNOHVPSAQ-TVQRCGJNSA-N 1 0 388.693 1.914 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419137517 531902626 /nfs/dbraw/zinc/90/26/26/531902626.db2.gz QVLLKQANLOTSBQ-VHSXEESVSA-N 1 0 388.693 1.928 20 0 GDADRO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)sc1S(N)(=O)=O ZINC000674712857 531902899 /nfs/dbraw/zinc/90/28/99/531902899.db2.gz USWOZVBNKGOTRK-NEPJUHHUSA-N 1 0 387.527 1.491 20 0 GDADRO C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000567807348 531903137 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C[C@@]1(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)CCC[NH2+]C1 ZINC000569095050 531918797 /nfs/dbraw/zinc/91/87/97/531918797.db2.gz FMJTXRGFGSHUSA-QGZVFWFLSA-N 1 0 393.285 1.665 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000419260585 531919079 /nfs/dbraw/zinc/91/90/79/531919079.db2.gz OLQAENQTFQHIIT-ZDUSSCGKSA-N 1 0 398.301 1.532 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419263537 531919473 /nfs/dbraw/zinc/91/94/73/531919473.db2.gz VVMQKOZSVWTHNX-SWLSCSKDSA-N 1 0 398.301 1.672 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCc2nc3cc(Cl)ccc3s2)C1 ZINC000419340604 531926957 /nfs/dbraw/zinc/92/69/57/531926957.db2.gz XEDFWIOWOPLQBG-GHMZBOCLSA-N 1 0 380.901 1.804 20 0 GDADRO NC(=O)c1c(F)cc(Br)cc1N1CC[NH+](C2CCOCC2)CC1 ZINC000678312940 531919906 /nfs/dbraw/zinc/91/99/06/531919906.db2.gz PYXOIZLWSWSOEX-UHFFFAOYSA-N 1 0 386.265 1.988 20 0 GDADRO CN(C(=O)C(=O)NCCOc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000419259931 531919935 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531915996 /nfs/dbraw/zinc/91/59/96/531915996.db2.gz DORRTETUIUPERA-VXGBXAGGSA-N 1 0 384.299 1.566 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21)C1CC1 ZINC000419238697 531916164 /nfs/dbraw/zinc/91/61/64/531916164.db2.gz DORRTETUIUPERA-NWDGAFQWSA-N 1 0 384.299 1.566 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000283975116 531916887 /nfs/dbraw/zinc/91/68/87/531916887.db2.gz IPSVFRITTKLRTD-ZDUSSCGKSA-N 1 0 399.333 1.594 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419361518 531929107 /nfs/dbraw/zinc/92/91/07/531929107.db2.gz SVNNGLCDRRQFAG-QWRGUYRKSA-N 1 0 384.274 1.283 20 0 GDADRO O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000569823606 531929841 /nfs/dbraw/zinc/92/98/41/531929841.db2.gz IIVURKOKMMMYOZ-ZDUSSCGKSA-N 1 0 399.232 1.043 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)N[C@@H]1CCC[NH2+]CC1 ZINC000368703558 531930240 /nfs/dbraw/zinc/93/02/40/531930240.db2.gz IIDSPMXTUNSGCS-GFCCVEGCSA-N 1 0 379.258 1.417 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419359304 531930233 /nfs/dbraw/zinc/93/02/33/531930233.db2.gz QESFLGXZQDBQDX-CQSZACIVSA-N 1 0 398.301 1.708 20 0 GDADRO O=C(CS(=O)(=O)Cc1ccc(Br)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000368702882 531930502 /nfs/dbraw/zinc/93/05/02/531930502.db2.gz CQLCJMKDGBYDFP-AWEZNQCLSA-N 1 0 389.315 1.622 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000284110074 531930660 /nfs/dbraw/zinc/93/06/60/531930660.db2.gz YPMRTRCSNAZDOE-JTQLQIEISA-N 1 0 376.320 1.626 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(O)c(Br)c2)[C@@H]1C[NH3+] ZINC000419410668 531931954 /nfs/dbraw/zinc/93/19/54/531931954.db2.gz OQKREHRLRGAJJK-GXFFZTMASA-N 1 0 384.274 1.357 20 0 GDADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419566973 531936587 /nfs/dbraw/zinc/93/65/87/531936587.db2.gz IVPDMTAZORYXGM-RYUDHWBXSA-N 1 0 388.295 1.535 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419573202 531936594 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CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000419611652 531941232 /nfs/dbraw/zinc/94/12/32/531941232.db2.gz KWGXRVNTCNFROI-FZMZJTMJSA-N 1 0 386.290 1.432 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)Oc1ccccc1Br ZINC000419613114 531941291 /nfs/dbraw/zinc/94/12/91/531941291.db2.gz NBEGPUBTACHIJT-LLVKDONJSA-N 1 0 384.274 1.282 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)Oc1cccc(Br)c1 ZINC000419612406 531941442 /nfs/dbraw/zinc/94/14/42/531941442.db2.gz MDRSKYDEYCWMGD-BNOWGMLFSA-N 1 0 398.301 1.719 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cn1 ZINC000284242126 531941969 /nfs/dbraw/zinc/94/19/69/531941969.db2.gz JUBHGCHQFZCHST-NILFDRSVSA-N 1 0 395.301 1.764 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)Oc1cccc(Br)c1 ZINC000419614119 531943093 /nfs/dbraw/zinc/94/30/93/531943093.db2.gz OGOUXBSSHMOEKH-XQQFMLRXSA-N 1 0 398.301 1.541 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)Oc1cccc(Br)c1 ZINC000419614043 531943139 /nfs/dbraw/zinc/94/31/39/531943139.db2.gz ODKQQWROUGGEFK-FRRDWIJNSA-N 1 0 398.301 1.528 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419624517 531943805 /nfs/dbraw/zinc/94/38/05/531943805.db2.gz IOIDFGHMAKASFD-BVIHXZOGSA-N 1 0 398.301 1.447 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)Oc1cccc(Br)c1 ZINC000419622688 531944032 /nfs/dbraw/zinc/94/40/32/531944032.db2.gz TWDRUHCAEMBLFP-LALPHHSUSA-N 1 0 398.301 1.447 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2c(I)cnn2C)C1 ZINC000457083671 531944786 /nfs/dbraw/zinc/94/47/86/531944786.db2.gz GBPUAYQIJLLGQX-JTQLQIEISA-N 1 0 376.242 1.579 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419627458 531945064 /nfs/dbraw/zinc/94/50/64/531945064.db2.gz KPLYAXWEQQFHRL-ONERCXAPSA-N 1 0 398.301 1.495 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419630766 531946509 /nfs/dbraw/zinc/94/65/09/531946509.db2.gz NSOIWZQOZQCETD-GYSYKLTISA-N 1 0 386.290 1.495 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@H]1C[NH3+] ZINC000652379674 531946739 /nfs/dbraw/zinc/94/67/39/531946739.db2.gz CURACELNRDAMMV-PRHODGIISA-N 1 0 399.257 1.712 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)[C@@H]1CC[NH3+] ZINC000652377897 531946926 /nfs/dbraw/zinc/94/69/26/531946926.db2.gz SAKZQYVVNBYSLS-UONOGXRCSA-N 1 0 389.543 1.075 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000419628382 531946965 /nfs/dbraw/zinc/94/69/65/531946965.db2.gz ZGMJQNFWEZPKEL-NWDGAFQWSA-N 1 0 384.274 1.201 20 0 GDADRO CN(C)[C@@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccsc1 ZINC000284311704 531947147 /nfs/dbraw/zinc/94/71/47/531947147.db2.gz ZBRLULQJCBRYIY-YOEHRIQHSA-N 1 0 384.571 1.021 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC2CC[NH2+]CC2)c1OC ZINC000652384756 531947739 /nfs/dbraw/zinc/94/77/39/531947739.db2.gz MGQPBSFPCORABI-UHFFFAOYSA-N 1 0 389.905 1.376 20 0 GDADRO C[C@@]([NH2+]CC1CCS(=O)(=O)CC1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000270965824 531948354 /nfs/dbraw/zinc/94/83/54/531948354.db2.gz BMWLSKSODYCEKZ-HNNXBMFYSA-N 1 0 378.416 1.820 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000419658571 531949544 /nfs/dbraw/zinc/94/95/44/531949544.db2.gz YKVCREKMOKGJPY-NOZJJQNGSA-N 1 0 386.315 1.684 20 0 GDADRO CCS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000270983063 531951624 /nfs/dbraw/zinc/95/16/24/531951624.db2.gz DDFINQXIDIFPCO-IRXDYDNUSA-N 1 0 384.567 1.917 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000626871054 531939898 /nfs/dbraw/zinc/93/98/98/531939898.db2.gz HBYASVWPXMCKLW-UHFFFAOYSA-N 1 0 394.216 1.360 20 0 GDADRO O=C(N[C@@H]1CCc2c1cccc2Br)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419592953 531939967 /nfs/dbraw/zinc/93/99/67/531939967.db2.gz WLSNZBUIZKFVAT-HWWQOWPSSA-N 1 0 392.297 1.621 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000626871719 531939992 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O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419724415 531961971 /nfs/dbraw/zinc/96/19/71/531961971.db2.gz HGZJJCACJQMNOF-GBIKHYSHSA-N 1 0 384.263 1.896 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3COc4c3ccc(Cl)c4Cl)C[C@@H]12 ZINC000419729988 531963218 /nfs/dbraw/zinc/96/32/18/531963218.db2.gz PHQBSUJRSKTHPV-DXLKZPDWSA-N 1 0 384.263 1.739 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCn1cc(Br)ccc1=O ZINC000572339964 531963360 /nfs/dbraw/zinc/96/33/60/531963360.db2.gz VVAGGJYMZBGJPV-GXTWGEPZSA-N 1 0 385.306 1.592 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Cl)sc2S(N)(=O)=O)cn1 ZINC000652908844 531952144 /nfs/dbraw/zinc/95/21/44/531952144.db2.gz LTAJECMTQQDKOL-UHFFFAOYSA-N 1 0 377.879 1.059 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(Br)s1 ZINC000419672701 531952553 /nfs/dbraw/zinc/95/25/53/531952553.db2.gz BDOSNFOQJWPUKG-SCZZXKLOSA-N 1 0 390.303 1.356 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000627455998 531952848 /nfs/dbraw/zinc/95/28/48/531952848.db2.gz UTRYHRPFMKWBHY-GHMZBOCLSA-N 1 0 399.289 1.055 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000627461621 531953041 /nfs/dbraw/zinc/95/30/41/531953041.db2.gz VJJMBFJLODENJA-NSHDSACASA-N 1 0 376.284 1.865 20 0 GDADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419678605 531953899 /nfs/dbraw/zinc/95/38/99/531953899.db2.gz PQYWTGNAIPOLLX-YGRLFVJLSA-N 1 0 393.285 1.790 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccsc1 ZINC000299073433 531953916 /nfs/dbraw/zinc/95/39/16/531953916.db2.gz UXEVUSQZCSXGKQ-UKRRQHHQSA-N 1 0 388.559 1.322 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2cc(Br)cc3c2OCC3)CC[NH2+]1 ZINC000419682952 531954806 /nfs/dbraw/zinc/95/48/06/531954806.db2.gz WJMLPRZJYVKDCM-IINYFYTJSA-N 1 0 396.285 1.257 20 0 GDADRO CC[NH+](CC)CCN(C(=O)/C=C/c1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000271016338 531955405 /nfs/dbraw/zinc/95/54/05/531955405.db2.gz IUBAKEQNZCHTQR-LFAOLKIESA-N 1 0 385.555 1.822 20 0 GDADRO Cn1cc(I)c(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)n1 ZINC000597736520 531955662 /nfs/dbraw/zinc/95/56/62/531955662.db2.gz MEAGDGVKXTVAAS-MRVPVSSYSA-N 1 0 385.209 1.169 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000419761979 531966529 /nfs/dbraw/zinc/96/65/29/531966529.db2.gz QUXWYLFJQJWXTO-NHYWBVRUSA-N 1 0 385.295 1.542 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000419775562 531967454 /nfs/dbraw/zinc/96/74/54/531967454.db2.gz JNFFKXFRKCOTKJ-SRVKXCTJSA-N 1 0 398.301 1.844 20 0 GDADRO CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000655471032 531968298 /nfs/dbraw/zinc/96/82/98/531968298.db2.gz DBLNSZNEYYFRNZ-JJRVBVJISA-N 1 0 380.286 1.824 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419784733 531968753 /nfs/dbraw/zinc/96/87/53/531968753.db2.gz VCQCZLAIQZXWDR-NWDGAFQWSA-N 1 0 398.301 1.751 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)c1n[nH]c2ccc(I)cc21 ZINC000598163406 531968957 /nfs/dbraw/zinc/96/89/57/531968957.db2.gz ONARBPJVSYEAEZ-UHFFFAOYSA-N 1 0 384.221 1.801 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000419784645 531969101 /nfs/dbraw/zinc/96/91/01/531969101.db2.gz UWSQSGIPNCCRJF-GJZGRUSLSA-N 1 0 398.276 1.976 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccc(Br)cn1 ZINC000627906624 531971561 /nfs/dbraw/zinc/97/15/61/531971561.db2.gz CKPQTKDYCOARGH-ZDUSSCGKSA-N 1 0 381.274 1.916 20 0 GDADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000271138366 531971601 /nfs/dbraw/zinc/97/16/01/531971601.db2.gz XINFWYATFUSIRN-CHWSQXEVSA-N 1 0 392.930 1.793 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419812727 531972653 /nfs/dbraw/zinc/97/26/53/531972653.db2.gz HZKLLMHVZRRGMM-JMSVASOKSA-N 1 0 382.302 1.611 20 0 GDADRO C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000628429892 531973364 /nfs/dbraw/zinc/97/33/64/531973364.db2.gz WTIKTRDOTVXVPG-IAOVAPTHSA-N 1 0 388.555 1.644 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000419825368 531973711 /nfs/dbraw/zinc/97/37/11/531973711.db2.gz AXDXMBYDOYCGLM-CQSZACIVSA-N 1 0 384.274 1.204 20 0 GDADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C(=O)NCCCC[NH3+] ZINC000419835255 531974860 /nfs/dbraw/zinc/97/48/60/531974860.db2.gz VAZVZGCNFZKDFD-CQSZACIVSA-N 1 0 398.301 1.976 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419835249 531974988 /nfs/dbraw/zinc/97/49/88/531974988.db2.gz YKNAUXXELOKZEC-LBPRGKRZSA-N 1 0 384.318 1.940 20 0 GDADRO CNS(=O)(=O)CC[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655762634 531975898 /nfs/dbraw/zinc/97/58/98/531975898.db2.gz GWHGGWRNSHKMSC-UHFFFAOYSA-N 1 0 387.303 1.582 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000419843022 531976103 /nfs/dbraw/zinc/97/61/03/531976103.db2.gz CNFXTBWQIVGQAS-GFCCVEGCSA-N 1 0 387.311 1.582 20 0 GDADRO CCCC[N@H+](C)CC1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000598300483 531976338 /nfs/dbraw/zinc/97/63/38/531976338.db2.gz HJDITXPMPSLOAJ-UHFFFAOYSA-N 1 0 376.567 1.468 20 0 GDADRO CC1(c2cccc(Br)c2)CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419838868 531976667 /nfs/dbraw/zinc/97/66/67/531976667.db2.gz PNZCSYHFRZKQGD-UHFFFAOYSA-N 1 0 382.302 1.794 20 0 GDADRO CC1(c2ccc(Br)cc2)CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419839639 531976961 /nfs/dbraw/zinc/97/69/61/531976961.db2.gz QRMHSVRSJJCWEH-UHFFFAOYSA-N 1 0 382.302 1.794 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419841570 531977024 /nfs/dbraw/zinc/97/70/24/531977024.db2.gz KJVOYKOKNAFNDO-CQSZACIVSA-N 1 0 394.313 1.981 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419843992 531977165 /nfs/dbraw/zinc/97/71/65/531977165.db2.gz NQVVLUWKXCFGJV-UONOGXRCSA-N 1 0 394.313 1.981 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1F ZINC000271187179 531977587 /nfs/dbraw/zinc/97/75/87/531977587.db2.gz DVRXPFWDAQLRRK-UHFFFAOYSA-N 1 0 393.506 1.302 20 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NS(=O)(=O)c1ccc(OCCN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)cc1 ZINC000629583066 531984311 /nfs/dbraw/zinc/98/43/11/531984311.db2.gz OYRXCZIBJNTWCT-FZMZJTMJSA-N 1 0 381.420 1.314 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 ZINC000629592691 531984819 /nfs/dbraw/zinc/98/48/19/531984819.db2.gz CJRSNLIEYDLUIW-INIZCTEOSA-N 1 0 388.917 1.075 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419911320 531985104 /nfs/dbraw/zinc/98/51/04/531985104.db2.gz JNOKSQCTPHLYGE-CYBMUJFWSA-N 1 0 382.302 1.913 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560056 531985297 /nfs/dbraw/zinc/98/52/97/531985297.db2.gz KFYRKSXCQGZYMF-HOTGVXAUSA-N 1 0 391.603 1.286 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419927610 531986428 /nfs/dbraw/zinc/98/64/28/531986428.db2.gz WPFDSSCBAJWNRF-VXGBXAGGSA-N 1 0 380.286 1.448 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NCC[C@H]1CCC[NH2+]1)CC2 ZINC000419940450 531988460 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C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(I)ccc1F ZINC000420017688 531996048 /nfs/dbraw/zinc/99/60/48/531996048.db2.gz OVJBQEJXOOBQGH-CQSZACIVSA-N 1 0 394.228 1.863 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420016853 531996433 /nfs/dbraw/zinc/99/64/33/531996433.db2.gz NNOKVBVZDGUMTR-VHSXEESVSA-N 1 0 378.420 1.754 20 0 GDADRO O=S(=O)(Cc1ccon1)NCC[NH2+]Cc1ccccc1CC(F)(F)F ZINC000631085269 531998076 /nfs/dbraw/zinc/99/80/76/531998076.db2.gz JLVZTDJHGCPREI-UHFFFAOYSA-N 1 0 377.388 1.989 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(I)cc1F ZINC000420006826 531995447 /nfs/dbraw/zinc/99/54/47/531995447.db2.gz ZSGYNLQODCBRFF-AWEZNQCLSA-N 1 0 394.228 1.863 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000574866445 531999149 /nfs/dbraw/zinc/99/91/49/531999149.db2.gz VEQHVCDWTXIBPN-OAHLLOKOSA-N 1 0 376.567 1.562 20 0 GDADRO Brc1cnn(CCCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c1 ZINC000631123320 531999800 /nfs/dbraw/zinc/99/98/00/531999800.db2.gz FUWNSZASOVIIDJ-ZDUSSCGKSA-N 1 0 383.294 1.844 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000370674393 532000054 /nfs/dbraw/zinc/00/00/54/532000054.db2.gz VAOXNPCMTCWPFZ-GHMZBOCLSA-N 1 0 375.288 1.688 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000420054355 531998709 /nfs/dbraw/zinc/99/87/09/531998709.db2.gz YDEXKRPBSKVAEQ-FFSVYQOJSA-N 1 0 394.313 1.966 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)[NH+](C)C ZINC000657088345 532001950 /nfs/dbraw/zinc/00/19/50/532001950.db2.gz CRTNAFOLRZPGOL-LLVKDONJSA-N 1 0 381.420 1.597 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000420097601 532001324 /nfs/dbraw/zinc/00/13/24/532001324.db2.gz IDGNKPAMZGFWDE-QMTHXVAHSA-N 1 0 386.265 1.661 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000420085682 532001385 /nfs/dbraw/zinc/00/13/85/532001385.db2.gz BMMBCCVCKWMWJW-CQSZACIVSA-N 1 0 386.279 1.891 20 0 GDADRO 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C[NH+](C)[C@H](CNC(=O)N1CCC(CNS(C)(=O)=O)CC1)c1cccs1 ZINC000284939706 532008616 /nfs/dbraw/zinc/00/86/16/532008616.db2.gz DARGBUICNGUUFP-CQSZACIVSA-N 1 0 388.559 1.322 20 0 GDADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000575073830 532008771 /nfs/dbraw/zinc/00/87/71/532008771.db2.gz YMXFYCBPOKWLTL-ZETOZRRWSA-N 1 0 385.295 1.878 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459226299 532011337 /nfs/dbraw/zinc/01/13/37/532011337.db2.gz YCFLAMZUZUXRIF-OAHLLOKOSA-N 1 0 384.278 1.437 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1C(F)(F)F ZINC000420446112 532012247 /nfs/dbraw/zinc/01/22/47/532012247.db2.gz GRRVLRKVMKQAGQ-UHFFFAOYSA-N 1 0 380.388 1.912 20 0 GDADRO CCOc1cc(C[NH2+]CCNC(=O)c2cnccn2)cc(Br)c1O ZINC000459406378 532013486 /nfs/dbraw/zinc/01/34/86/532013486.db2.gz UIBPXEGAKFFROM-UHFFFAOYSA-N 1 0 395.257 1.863 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1F ZINC000420451508 532015282 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ZINC000420464339 532019185 /nfs/dbraw/zinc/01/91/85/532019185.db2.gz OWTWJDDCZMZOJF-HNNXBMFYSA-N 1 0 382.507 1.849 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1 ZINC000420471250 532020246 /nfs/dbraw/zinc/02/02/46/532020246.db2.gz YIADYMCSLRUDQM-OAHLLOKOSA-N 1 0 391.559 1.369 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000420468365 532020381 /nfs/dbraw/zinc/02/03/81/532020381.db2.gz UIDOQOIZGBOVDU-JTQLQIEISA-N 1 0 386.262 1.776 20 0 GDADRO [NH3+]CC[C@H](NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1)C(F)F ZINC000420469614 532020072 /nfs/dbraw/zinc/02/00/72/532020072.db2.gz VVACALDFZIJVJU-MFKMUULPSA-N 1 0 382.404 1.502 20 0 GDADRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000420468807 532020895 /nfs/dbraw/zinc/02/08/95/532020895.db2.gz HKLQWDQEMGDPCT-UHFFFAOYSA-N 1 0 379.276 1.466 20 0 GDADRO NC(=O)Cn1cc(C[NH2+]CC2(c3ccc(Br)s3)CCC2)nn1 ZINC000459539212 532021088 /nfs/dbraw/zinc/02/10/88/532021088.db2.gz FQDPMONIKOMMIK-UHFFFAOYSA-N 1 0 384.303 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O=C(COc1ccc(Br)cn1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000632878448 532043160 /nfs/dbraw/zinc/04/31/60/532043160.db2.gz MBWAPGIRIYKIJM-OAHLLOKOSA-N 1 0 398.301 1.936 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000271718309 532045764 /nfs/dbraw/zinc/04/57/64/532045764.db2.gz QWLJIMBLPUPTRZ-UHFFFAOYSA-N 1 0 389.543 1.181 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000633149941 532045817 /nfs/dbraw/zinc/04/58/17/532045817.db2.gz XRMLBMARVCYOBI-PWSUYJOCSA-N 1 0 384.274 1.364 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cccnc3Br)C2)CC1 ZINC000271742161 532048604 /nfs/dbraw/zinc/04/86/04/532048604.db2.gz FPJVNUVQOGBUHR-CYBMUJFWSA-N 1 0 395.301 1.973 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)s1 ZINC000634698509 532054178 /nfs/dbraw/zinc/05/41/78/532054178.db2.gz ODZOEUJSDPUCEV-RHSMWYFYSA-N 1 0 390.571 1.780 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000421206160 532052004 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20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000423077237 532070672 /nfs/dbraw/zinc/07/06/72/532070672.db2.gz LSZVHAIPXHIVDZ-CQSZACIVSA-N 1 0 380.286 1.890 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(C)cc2I)[C@H](C)C1 ZINC000602268263 532073475 /nfs/dbraw/zinc/07/34/75/532073475.db2.gz MLMRQYCRAMZMNO-ZYHUDNBSSA-N 1 0 390.269 1.827 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423230110 532073588 /nfs/dbraw/zinc/07/35/88/532073588.db2.gz IQVFMRBCKSJNHY-UHFFFAOYSA-N 1 0 386.265 1.886 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)C1 ZINC000580401764 532073606 /nfs/dbraw/zinc/07/36/06/532073606.db2.gz XWJLFBYZYUIZEG-NEPJUHHUSA-N 1 0 389.568 1.343 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1nn(C)cc1I ZINC000602269440 532073734 /nfs/dbraw/zinc/07/37/34/532073734.db2.gz VJSYFAQTCFLHQT-KOLCDFICSA-N 1 0 376.242 1.437 20 0 GDADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000580736931 532075198 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GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000423208297 532074015 /nfs/dbraw/zinc/07/40/15/532074015.db2.gz SSAITNXCNGCCLO-AWEZNQCLSA-N 1 0 384.274 1.027 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000469728089 532077618 /nfs/dbraw/zinc/07/76/18/532077618.db2.gz HTDHIXLKOAQBTH-TZMCWYRMSA-N 1 0 397.317 1.648 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000423643020 532077668 /nfs/dbraw/zinc/07/76/68/532077668.db2.gz LXBOJLSTKGBYHH-LRDDRELGSA-N 1 0 385.917 1.689 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000423650736 532077716 /nfs/dbraw/zinc/07/77/16/532077716.db2.gz UXDONIZKEDZUPQ-HNNXBMFYSA-N 1 0 394.313 1.962 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000423493354 532075990 /nfs/dbraw/zinc/07/59/90/532075990.db2.gz BGWNPPTZRHWUEW-LBPRGKRZSA-N 1 0 380.286 1.402 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000423509521 532076378 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399.333 1.983 20 0 GDADRO C[C@]1(C(=O)Nc2nc3cc(I)ccc3[nH]2)C[NH2+]CCO1 ZINC000602530505 532079969 /nfs/dbraw/zinc/07/99/69/532079969.db2.gz BIIPXVMCBXLFCL-CYBMUJFWSA-N 1 0 386.193 1.485 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000423731195 532080821 /nfs/dbraw/zinc/08/08/21/532080821.db2.gz YPXFMFOJYLJTJE-SNVBAGLBSA-N 1 0 378.420 1.721 20 0 GDADRO C[C@@]12C[NH+](Cc3cccc(I)c3)C[C@@]1(C)C(=O)NC2=O ZINC000602724439 532080829 /nfs/dbraw/zinc/08/08/29/532080829.db2.gz MJPDKBLKCDDPSX-GJZGRUSLSA-N 1 0 384.217 1.776 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)C1 ZINC000423730623 532081415 /nfs/dbraw/zinc/08/14/15/532081415.db2.gz WRIYFQBITXDNRS-CVEARBPZSA-N 1 0 394.313 1.932 20 0 GDADRO CCOC(=O)[C@]1(C[NH2+]Cc2cnn3cc(Br)cnc23)CCCOC1 ZINC000602743827 532082484 /nfs/dbraw/zinc/08/24/84/532082484.db2.gz HPCRPRHYENTTFG-INIZCTEOSA-N 1 0 397.273 1.941 20 0 GDADRO COC(=O)CNC(=O)C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000602749848 532085113 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CS[C@@H]1CN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000328790500 532093770 /nfs/dbraw/zinc/09/37/70/532093770.db2.gz YULMXSSXSWTDGE-WDEREUQCSA-N 1 0 398.476 1.639 20 0 GDADRO Cc1cc(C[NH3+])cc(NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 ZINC000424429139 532094675 /nfs/dbraw/zinc/09/46/75/532094675.db2.gz WEHMGWLTBWFMQK-GFCCVEGCSA-N 1 0 382.408 1.398 20 0 GDADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000285591359 532097167 /nfs/dbraw/zinc/09/71/67/532097167.db2.gz HVPGJTQCQSQHHC-HIFRSBDPSA-N 1 0 380.432 1.702 20 0 GDADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000329296892 532102879 /nfs/dbraw/zinc/10/28/79/532102879.db2.gz OXTQBEIAJYXGQT-HUUCEWRRSA-N 1 0 385.555 1.844 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3ccc(Br)s3)[C@@H]2C1 ZINC000272519720 532104281 /nfs/dbraw/zinc/10/42/81/532104281.db2.gz ZBHMBEQMRWGRGG-GHMZBOCLSA-N 1 0 386.315 1.793 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)C[C@H]1[NH+](C)C ZINC000272581204 532105589 /nfs/dbraw/zinc/10/55/89/532105589.db2.gz MHQBXFCSALBGDH-NEPJUHHUSA-N 1 0 378.420 1.920 20 0 GDADRO CN(CCCOc1cccc(Cl)c1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000285750892 532110414 /nfs/dbraw/zinc/11/04/14/532110414.db2.gz YWHJGRUKAYASLU-UHFFFAOYSA-N 1 0 388.917 1.734 20 0 GDADRO O=S(=O)(N[C@H]1CCn2ccnc2C1)c1cc(Br)cc2c1OCC2 ZINC000330214254 532118332 /nfs/dbraw/zinc/11/83/32/532118332.db2.gz LMKBOOSLQIZUFF-LBPRGKRZSA-N 1 0 398.282 1.874 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C(=O)NC1CC1 ZINC000425095378 532118394 /nfs/dbraw/zinc/11/83/94/532118394.db2.gz BAYAHIYMRUCJHR-UHFFFAOYSA-N 1 0 383.290 1.664 20 0 GDADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000285916366 532120886 /nfs/dbraw/zinc/12/08/86/532120886.db2.gz LBQXQPSNFBKXEB-CQSZACIVSA-N 1 0 398.301 1.393 20 0 GDADRO Cc1c(Br)cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c(=O)n1C ZINC000285969897 532123482 /nfs/dbraw/zinc/12/34/82/532123482.db2.gz XFOHRYVZOITDTP-KGLIPLIRSA-N 1 0 384.274 1.001 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000285817418 532115232 /nfs/dbraw/zinc/11/52/32/532115232.db2.gz RCSONZPZSUMRBN-UHFFFAOYSA-N 1 0 395.257 1.834 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(CN2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)s1 ZINC000425426273 532138682 /nfs/dbraw/zinc/13/86/82/532138682.db2.gz VWXCVGURWAPLJN-BMFZPTHFSA-N 1 0 387.571 1.682 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425426926 532139198 /nfs/dbraw/zinc/13/91/98/532139198.db2.gz SXCFXHFGMKLXJF-OAHLLOKOSA-N 1 0 389.587 1.931 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(Cc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000272948432 532124963 /nfs/dbraw/zinc/12/49/63/532124963.db2.gz YEDRSOJLVXNYMV-UHFFFAOYSA-N 1 0 381.830 1.688 20 0 GDADRO CC1(C)NC(=O)N(CCC[NH2+][C@@H](CO)c2ccc(Br)cc2)C1=O ZINC000272970256 532125563 /nfs/dbraw/zinc/12/55/63/532125563.db2.gz CBHAQXZQNWQRQV-ZDUSSCGKSA-N 1 0 384.274 1.793 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@]2(C)CCC[NH2+]C2)s1 ZINC000272970849 532125699 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[NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3cc(Br)cs3)C[C@@H]21 ZINC000331561140 532150959 /nfs/dbraw/zinc/15/09/59/532150959.db2.gz JLJJJOLFVUUREO-TVYUQYBPSA-N 1 0 386.315 1.713 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C(=O)NCCF ZINC000425775682 532151844 /nfs/dbraw/zinc/15/18/44/532151844.db2.gz RYHGRKRRXSKQFM-UHFFFAOYSA-N 1 0 389.269 1.471 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C[C@H]1[NH3+] ZINC000331771940 532152640 /nfs/dbraw/zinc/15/26/40/532152640.db2.gz KCXQERPXNLFFJR-WQAKAFBOSA-N 1 0 382.258 1.195 20 0 GDADRO COC(=O)[C@@H]1C[N@H+](CCC(=O)NC(N)=O)C[C@H]1c1ccc(Br)cc1 ZINC000425510519 532141234 /nfs/dbraw/zinc/14/12/34/532141234.db2.gz MSOFJYCJKNKYQL-QWHCGFSZSA-N 1 0 398.257 1.223 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3csc(Br)c3)C[C@@H]21 ZINC000331492748 532146700 /nfs/dbraw/zinc/14/67/00/532146700.db2.gz DDFWEGJMCKXDET-SDDRHHMPSA-N 1 0 386.315 1.713 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000331523974 532147606 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1 0 396.285 1.598 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000332195154 532170014 /nfs/dbraw/zinc/17/00/14/532170014.db2.gz YSMHAIZBYLSZES-ZIAGYGMSSA-N 1 0 383.539 1.575 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(Br)c1 ZINC000425824658 532156220 /nfs/dbraw/zinc/15/62/20/532156220.db2.gz ZRDHKRBMTORLPW-XHDPSFHLSA-N 1 0 396.285 1.949 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000273554656 532156715 /nfs/dbraw/zinc/15/67/15/532156715.db2.gz WZLZCKBJYZIEJV-GFCCVEGCSA-N 1 0 392.518 1.580 20 0 GDADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCCCCS(C)(=O)=O)C[C@H](C)O1 ZINC000425854974 532157420 /nfs/dbraw/zinc/15/74/20/532157420.db2.gz ZZDCYLBYIRFNOA-XHSDSOJGSA-N 1 0 375.535 1.094 20 0 GDADRO CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000273579327 532157941 /nfs/dbraw/zinc/15/79/41/532157941.db2.gz DNEYXJVIZMLRQH-QGZVFWFLSA-N 1 0 385.555 1.081 20 0 GDADRO CN(C)S(=O)(=O)CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000286542116 532158194 /nfs/dbraw/zinc/15/81/94/532158194.db2.gz UJBTZQBBQVFSTJ-UHFFFAOYSA-N 1 0 389.905 1.588 20 0 GDADRO CC[N@H+](CCNC(=O)NCc1nc(C(F)(F)F)n[nH]1)CCC(F)(F)F ZINC000425962644 532158722 /nfs/dbraw/zinc/15/87/22/532158722.db2.gz ISEYQWVFENZEDO-UHFFFAOYSA-N 1 0 376.305 1.897 20 0 GDADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000286569090 532160264 /nfs/dbraw/zinc/16/02/64/532160264.db2.gz POARDQQZQMDESI-CYBMUJFWSA-N 1 0 383.905 1.600 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000286593595 532162139 /nfs/dbraw/zinc/16/21/39/532162139.db2.gz WIKDLFWACGSEOX-JTQLQIEISA-N 1 0 376.320 1.925 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC[NH2+]1 ZINC000332075767 532162349 /nfs/dbraw/zinc/16/23/49/532162349.db2.gz YKTFJTGQZUWUQN-RYUDHWBXSA-N 1 0 398.305 1.943 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C[C@H]1[NH+]1CCCC1 ZINC000332081821 532162783 /nfs/dbraw/zinc/16/27/83/532162783.db2.gz MZUCIHNDGLXRKR-HZPDHXFCSA-N 1 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C[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)[C@@H]1CCOC1 ZINC000273917263 532176966 /nfs/dbraw/zinc/17/69/66/532176966.db2.gz AYVPWDBXKZQILC-VXGBXAGGSA-N 1 0 384.274 1.518 20 0 GDADRO CC(=O)OCCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000286926924 532185598 /nfs/dbraw/zinc/18/55/98/532185598.db2.gz POKFVCNFJGERSD-UHFFFAOYSA-N 1 0 378.441 1.611 20 0 GDADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000376031232 532192585 /nfs/dbraw/zinc/19/25/85/532192585.db2.gz HCDUINUOXUVJQD-PBHICJAKSA-N 1 0 375.535 1.647 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000332544000 532194045 /nfs/dbraw/zinc/19/40/45/532194045.db2.gz FHSUGFNHEIRRHB-QWRGUYRKSA-N 1 0 384.249 1.903 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(c2cncc(Br)c2)CC1 ZINC000376135253 532197123 /nfs/dbraw/zinc/19/71/23/532197123.db2.gz QOZRRYATKRGQJG-CABCVRRESA-N 1 0 380.286 1.855 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000332604048 532199194 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GDADRO O=C(NC[C@@H]1CCSC1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000286942296 532186766 /nfs/dbraw/zinc/18/67/66/532186766.db2.gz FDLHKDBPUSZLFT-CABCVRRESA-N 1 0 381.567 1.946 20 0 GDADRO CN1C(=O)C[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[C@H]1c1ccc(Cl)cc1 ZINC000375965003 532190311 /nfs/dbraw/zinc/19/03/11/532190311.db2.gz ZGOYMILIOSBNGU-YLQAJVPDSA-N 1 0 385.917 1.483 20 0 GDADRO C[C@H]1C[C@H](O)C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000332501364 532190455 /nfs/dbraw/zinc/19/04/55/532190455.db2.gz GMSUIXFYJLJJGZ-JSGCOSHPSA-N 1 0 387.311 1.740 20 0 GDADRO CC1(C)CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]1 ZINC000332725857 532208005 /nfs/dbraw/zinc/20/80/05/532208005.db2.gz YJIADUQJCBHJLI-CQSZACIVSA-N 1 0 395.301 1.948 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cs1 ZINC000428536160 532210077 /nfs/dbraw/zinc/21/00/77/532210077.db2.gz RCGQMOQLIBNRPH-AWEZNQCLSA-N 1 0 381.479 1.214 20 0 GDADRO COCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000287375032 532212232 /nfs/dbraw/zinc/21/22/32/532212232.db2.gz NDDDAGLPNDFKAK-AWEZNQCLSA-N 1 0 377.304 1.589 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332944015 532213966 /nfs/dbraw/zinc/21/39/66/532213966.db2.gz ORERKADAZUHACK-GJZGRUSLSA-N 1 0 380.286 1.922 20 0 GDADRO CO[C@H](C)c1nc(CN2CCCN(C[C@H]3CCS(=O)(=O)C3)CC2)cs1 ZINC000333033968 532215689 /nfs/dbraw/zinc/21/56/89/532215689.db2.gz NATSODPUGSXWLU-HUUCEWRRSA-N 1 0 387.571 1.793 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1CSCCS1)[N@H+](C)Cc1ccccc1 ZINC000287471714 532217052 /nfs/dbraw/zinc/21/70/52/532217052.db2.gz UKTZCVZHYNXEOD-HOCLYGCPSA-N 1 0 381.567 1.588 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000332661453 532203849 /nfs/dbraw/zinc/20/38/49/532203849.db2.gz KQBNPVCZBRAARN-GXTWGEPZSA-N 1 0 380.286 1.585 20 0 GDADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CCC2(CC[NH2+]2)CC1 ZINC000333262311 532227004 /nfs/dbraw/zinc/22/70/04/532227004.db2.gz IZOOYNFBUDHBOT-UHFFFAOYSA-N 1 0 387.299 1.901 20 0 GDADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000429408364 532228542 /nfs/dbraw/zinc/22/85/42/532228542.db2.gz MXPODYRLMOWSNT-INIZCTEOSA-N 1 0 380.286 1.621 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c(Br)c1 ZINC000333299103 532228635 /nfs/dbraw/zinc/22/86/35/532228635.db2.gz PSXBQHPOOOIIHQ-UHFFFAOYSA-N 1 0 375.288 1.974 20 0 GDADRO O=C(Cc1ccccc1Br)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333309440 532229290 /nfs/dbraw/zinc/22/92/90/532229290.db2.gz DLBPBLJZKRZEKU-OAHLLOKOSA-N 1 0 394.313 1.805 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NCc1ccc(Cl)cc1 ZINC000429718957 532232977 /nfs/dbraw/zinc/23/29/77/532232977.db2.gz NPUFZIACOOHBIU-RCBQFDQVSA-N 1 0 387.933 1.795 20 0 GDADRO CCCCc1nnc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000429713743 532233031 /nfs/dbraw/zinc/23/30/31/532233031.db2.gz DYNRHZTVLKMIKB-RYUDHWBXSA-N 1 0 389.547 1.269 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274802095 532234696 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GDADRO O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000376722366 532226248 /nfs/dbraw/zinc/22/62/48/532226248.db2.gz ISZYUOJMASSNAX-GFCCVEGCSA-N 1 0 395.472 1.967 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000274707628 532226936 /nfs/dbraw/zinc/22/69/36/532226936.db2.gz BGOZABFPIZYKKO-WFASDCNBSA-N 1 0 386.279 1.784 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC[NH2+]1 ZINC000377077440 532240653 /nfs/dbraw/zinc/24/06/53/532240653.db2.gz KTJDRNFLXCWCKQ-DGCLKSJQSA-N 1 0 396.285 1.821 20 0 GDADRO CC(C)[C@H](CNS(=O)(=O)c1ccc2ncsc2c1)N1CC[NH+](C)CC1 ZINC000274905926 532241531 /nfs/dbraw/zinc/24/15/31/532241531.db2.gz WBPXQSWTELIJSO-INIZCTEOSA-N 1 0 382.555 1.847 20 0 GDADRO CC[NH+]1CCN(CC(=O)NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000430123696 532241874 /nfs/dbraw/zinc/24/18/74/532241874.db2.gz JYMJGKLLMMKKKX-HNNXBMFYSA-N 1 0 398.345 1.354 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN(c2cccc(Br)c2)CC1 ZINC000333783203 532249705 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1.406 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000275162628 532272043 /nfs/dbraw/zinc/27/20/43/532272043.db2.gz UXJYZTIXUXYUHG-JSGCOSHPSA-N 1 0 389.568 1.308 20 0 GDADRO O=C(COC1C[NH2+]C1)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000430704579 532254955 /nfs/dbraw/zinc/25/49/55/532254955.db2.gz NVJPDDNIFPXIGH-UHFFFAOYSA-N 1 0 397.273 1.010 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1CC[C@H](C[NH3+])C1 ZINC000430921193 532257697 /nfs/dbraw/zinc/25/76/97/532257697.db2.gz XMPFIZHAHJXSDA-CYBMUJFWSA-N 1 0 397.317 1.435 20 0 GDADRO C[C@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000430939712 532258458 /nfs/dbraw/zinc/25/84/58/532258458.db2.gz MCTNKGCRRVIGHF-AAEUAGOBSA-N 1 0 383.290 1.173 20 0 GDADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333932192 532258661 /nfs/dbraw/zinc/25/86/61/532258661.db2.gz GOEFKCBOQAFRMA-OLZOCXBDSA-N 1 0 396.285 1.971 20 0 GDADRO C[C@@H]1CN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[C@H]1[NH3+] ZINC000430972030 532258739 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Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000737223474 599001975 /nfs/dbraw/zinc/00/19/75/599001975.db2.gz HEXIZWJVDDFHPQ-CQSZACIVSA-N 1 0 378.502 1.574 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000736401381 599004507 /nfs/dbraw/zinc/00/45/07/599004507.db2.gz WHPBWQGYYRYGGB-HNNXBMFYSA-N 1 0 378.502 1.718 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000737221509 599004919 /nfs/dbraw/zinc/00/49/19/599004919.db2.gz NFKDCYCDDVPRQJ-LSDHHAIUSA-N 1 0 376.486 1.422 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000737895116 599010334 /nfs/dbraw/zinc/01/03/34/599010334.db2.gz MHNAQOIKAKZLOS-UHFFFAOYSA-N 1 0 392.467 1.454 20 0 GDADRO C[NH+](C)C1(CNC(=O)COc2cccc(-c3nn[nH]n3)c2)Cc2ccccc2C1 ZINC000736755621 599085324 /nfs/dbraw/zinc/08/53/24/599085324.db2.gz BRZUDMCYIGDEFD-UHFFFAOYSA-N 1 0 392.463 1.461 20 0 GDADRO NC(=O)[C@H]([NH2+]CCCN1CCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730209 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O=C1[C@H]([NH2+]C[C@@H]2CCCn3ccnc32)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290530 599289600 /nfs/dbraw/zinc/28/96/00/599289600.db2.gz PQHGLHRHKLDWKG-GOEBONIOSA-N 1 0 378.440 1.336 20 0 GDADRO CC(C)(CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)[NH+]1CCCCC1 ZINC000819980266 607332200 /nfs/dbraw/zinc/33/22/00/607332200.db2.gz BHNOYWQRQCVAFX-UHFFFAOYSA-N 1 0 389.435 1.325 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000821582924 607332487 /nfs/dbraw/zinc/33/24/87/607332487.db2.gz CCXBLSYWIHUCIH-MRXNPFEDSA-N 1 0 397.414 1.363 20 0 GDADRO CC(C)C(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000735684979 598250464 /nfs/dbraw/zinc/25/04/64/598250464.db2.gz MXNHMXKMJURVMA-CQSZACIVSA-N 1 0 385.472 1.432 20 0 GDADRO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735640038 598261955 /nfs/dbraw/zinc/26/19/55/598261955.db2.gz VMKYJXUHJJIJGN-HNNXBMFYSA-N 1 0 375.473 1.886 20 0 GDADRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)C1 ZINC000736201013 598285803 /nfs/dbraw/zinc/28/58/03/598285803.db2.gz GBOXVAKSYLUUKI-YOEHRIQHSA-N 1 0 389.467 1.835 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738038418 598295147 /nfs/dbraw/zinc/29/51/47/598295147.db2.gz ZPGJQCMNGNJIBW-CVEARBPZSA-N 1 0 396.499 1.325 20 0 GDADRO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736409078 598300131 /nfs/dbraw/zinc/30/01/31/598300131.db2.gz CPUOTBJZSXRNGP-HUUCEWRRSA-N 1 0 399.499 1.822 20 0 GDADRO CCCC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736412445 598300540 /nfs/dbraw/zinc/30/05/40/598300540.db2.gz PCZUAEIXFKEDBH-OAHLLOKOSA-N 1 0 399.499 1.824 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000738100571 598307891 /nfs/dbraw/zinc/30/78/91/598307891.db2.gz RJMONDCCHKDELU-QGZVFWFLSA-N 1 0 395.442 1.929 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000738387274 598353669 /nfs/dbraw/zinc/35/36/69/598353669.db2.gz PBSINOKMGKPMRA-KRWDZBQOSA-N 1 0 383.456 1.215 20 0 GDADRO O[C@H](C[NH+]1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738383613 598365957 /nfs/dbraw/zinc/36/59/57/598365957.db2.gz XHENUYMQLIMBIB-LJQANCHMSA-N 1 0 382.443 1.857 20 0 GDADRO CCOCC[N@@H+]1CCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736621068 598366563 /nfs/dbraw/zinc/36/65/63/598366563.db2.gz YZCCJJRHTOFYPF-ZDUSSCGKSA-N 1 0 393.517 1.299 20 0 GDADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000736169190 598424396 /nfs/dbraw/zinc/42/43/96/598424396.db2.gz KKGRGPPYWOVBSK-OAHLLOKOSA-N 1 0 395.467 1.619 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCc1c(C)nc2c(-c3nn[nH]n3)cnn2c1C ZINC000736323899 598425219 /nfs/dbraw/zinc/42/52/19/598425219.db2.gz ZMJVYMUMRGIJLN-GFCCVEGCSA-N 1 0 399.503 1.305 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736859048 598425584 /nfs/dbraw/zinc/42/55/84/598425584.db2.gz CLXXKRFFWXDJQC-GOSISDBHSA-N 1 0 383.500 1.038 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)Cc1ccccc1 ZINC000736534145 598459564 /nfs/dbraw/zinc/45/95/64/598459564.db2.gz MWCCRDJOPBNBPN-QGZVFWFLSA-N 1 0 379.468 1.945 20 0 GDADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736529887 598460352 /nfs/dbraw/zinc/46/03/52/598460352.db2.gz ATAOJMDBQHDVDI-UHFFFAOYSA-N 1 0 395.467 1.912 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CCCO1 ZINC000736285160 598463107 /nfs/dbraw/zinc/46/31/07/598463107.db2.gz INFQEVSUMBSBGI-NSHDSACASA-N 1 0 376.486 1.856 20 0 GDADRO CN(CC[N@H+](C)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736799416 598470163 /nfs/dbraw/zinc/47/01/63/598470163.db2.gz SULJMPQWZFEWHN-GOSISDBHSA-N 1 0 382.468 1.675 20 0 GDADRO C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000736237316 598472743 /nfs/dbraw/zinc/47/27/43/598472743.db2.gz PIWVLOPJBCVVAT-QLFBSQMISA-N 1 0 398.515 1.608 20 0 GDADRO c1nn2cc(C[NH2+]C[C@H]3CCN(c4ccccc4)C3)cnc2c1-c1nn[nH]n1 ZINC000738436090 598493930 /nfs/dbraw/zinc/49/39/30/598493930.db2.gz PCGSIYRHODURMU-CQSZACIVSA-N 1 0 375.440 1.526 20 0 GDADRO c1nn2cc(CN[C@@H](C[NH+]3CCCC3)c3ccccc3)cnc2c1-c1nn[nH]n1 ZINC000738425972 598494076 /nfs/dbraw/zinc/49/40/76/598494076.db2.gz QHQUIBTTXDMQPW-SFHVURJKSA-N 1 0 389.467 1.836 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)C1CC1 ZINC000736008829 598502440 /nfs/dbraw/zinc/50/24/40/598502440.db2.gz BUBUQEVVLVSMGD-SECBINFHSA-N 1 0 377.836 1.058 20 0 GDADRO CC(C)[NH2+][C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000735888811 598504959 /nfs/dbraw/zinc/50/49/59/598504959.db2.gz ROQRCYXZWLEDBI-CYBMUJFWSA-N 1 0 377.880 1.921 20 0 GDADRO Brc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)s1 ZINC000735368111 598519356 /nfs/dbraw/zinc/51/93/56/598519356.db2.gz FZPFPPQAWKHSAW-MRVPVSSYSA-N 1 0 395.290 1.719 20 0 GDADRO CN(C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1 ZINC000736758869 598523041 /nfs/dbraw/zinc/52/30/41/598523041.db2.gz JHZBXWOJWFAJFQ-BLLLJJGKSA-N 1 0 385.451 1.137 20 0 GDADRO CN1CCN(C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c2ccccc2)CC1 ZINC000736862598 598526287 /nfs/dbraw/zinc/52/62/87/598526287.db2.gz FFRCLCCACHXPMT-HXUWFJFHSA-N 1 0 377.496 1.945 20 0 GDADRO Fc1ccc(N2CC[C@H](C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)cc1 ZINC000737659543 598527059 /nfs/dbraw/zinc/52/70/59/598527059.db2.gz IULYIUCOQBXDNP-ZIAGYGMSSA-N 1 0 397.462 1.360 20 0 GDADRO CC(C)COC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccco1 ZINC000735837152 598527632 /nfs/dbraw/zinc/52/76/32/598527632.db2.gz GSZBWFCWRNRONP-HIFRSBDPSA-N 1 0 386.460 1.701 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)C2 ZINC000738426596 598528600 /nfs/dbraw/zinc/52/86/00/598528600.db2.gz SNQAXYKQJSLNFY-COXVUDFISA-N 1 0 380.456 1.615 20 0 GDADRO c1cn(-c2ccccc2)nc1CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738427898 598528727 /nfs/dbraw/zinc/52/87/27/598528727.db2.gz 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CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000735733204 598696524 /nfs/dbraw/zinc/69/65/24/598696524.db2.gz DZUKNSLSEFLBNY-CRAIPNDOSA-N 1 0 384.484 1.965 20 0 GDADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736235996 598701819 /nfs/dbraw/zinc/70/18/19/598701819.db2.gz FHWNTQJUSDVXCW-ZJUUUORDSA-N 1 0 377.836 1.044 20 0 GDADRO COc1ccc(C[N@H+](CCO)CCOc2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000737090836 598709809 /nfs/dbraw/zinc/70/98/09/598709809.db2.gz NFEFINZOWUSRNL-UHFFFAOYSA-N 1 0 399.451 1.757 20 0 GDADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000735857686 598723642 /nfs/dbraw/zinc/72/36/42/598723642.db2.gz XSOZWXSEHPQRCN-UHFFFAOYSA-N 1 0 379.490 1.003 20 0 GDADRO C[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000736146296 598771557 /nfs/dbraw/zinc/77/15/57/598771557.db2.gz GQICSMOQRSUIKV-SNVBAGLBSA-N 1 0 375.383 1.196 20 0 GDADRO COc1ccc([C@@H](CO)[N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737074055 598820919 /nfs/dbraw/zinc/82/09/19/598820919.db2.gz HWPOLHXQIPUHSU-GOSISDBHSA-N 1 0 396.451 1.869 20 0 GDADRO CC(=O)N1CCN([C@@H]2C[N@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C)CC1 ZINC000735466610 599298151 /nfs/dbraw/zinc/29/81/51/599298151.db2.gz VFIGYTVPZWEYCW-YZVOILCLSA-N 1 0 383.500 1.412 20 0 GDADRO CC(=O)N1CCCN([C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)CC1 ZINC000735464490 599298235 /nfs/dbraw/zinc/29/82/35/599298235.db2.gz BHEMBFDHOHYDFO-DNVCBOLYSA-N 1 0 383.500 1.241 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000737189531 599299411 /nfs/dbraw/zinc/29/94/11/599299411.db2.gz NUQGVBRDTVOKGM-HZMBPMFUSA-N 1 0 387.513 1.883 20 0 GDADRO C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000820710937 599302760 /nfs/dbraw/zinc/30/27/60/599302760.db2.gz TXXUDYOTYKZCOW-AWEZNQCLSA-N 1 0 387.463 1.529 20 0 GDADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000736198206 599309204 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ZINC000821839841 599458640 /nfs/dbraw/zinc/45/86/40/599458640.db2.gz ZONKCSPFBAMVDG-QWHCGFSZSA-N 1 0 384.444 1.171 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000738167230 599502211 /nfs/dbraw/zinc/50/22/11/599502211.db2.gz PTIPMICORKYTMH-GFCCVEGCSA-N 1 0 389.435 1.628 20 0 GDADRO CCCC[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1CCCOC ZINC000736453037 599511343 /nfs/dbraw/zinc/51/13/43/599511343.db2.gz KSCFGQPYABKMAT-UHFFFAOYSA-N 1 0 377.493 1.992 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000822997041 599525449 /nfs/dbraw/zinc/52/54/49/599525449.db2.gz LMNSWMSXPOBALM-UHFFFAOYSA-N 1 0 392.467 1.159 20 0 GDADRO COCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)C[C@H]1C ZINC000821691547 599535305 /nfs/dbraw/zinc/53/53/05/599535305.db2.gz YERHWUSFHOBXCO-LLVKDONJSA-N 1 0 389.410 1.850 20 0 GDADRO CC[C@@H]1CN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC[N@@H+]1C[C@H](C)O ZINC000820994276 599573927 /nfs/dbraw/zinc/57/39/27/599573927.db2.gz GGXLDPSZIPBVRK-XJKSGUPXSA-N 1 0 398.471 1.194 20 0 GDADRO O=C(CCN1CCC[N@H+](C[C@H]2CCCO2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737842449 599586438 /nfs/dbraw/zinc/58/64/38/599586438.db2.gz BWFQNMHCCOVOLN-GOSISDBHSA-N 1 0 399.499 1.382 20 0 GDADRO O=C(CN1CCC[N@H+](C[C@@H]2CCCO2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737871898 599587686 /nfs/dbraw/zinc/58/76/86/599587686.db2.gz DCUZSZMZCKZONB-ZDUSSCGKSA-N 1 0 391.501 1.053 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000822319069 599598217 /nfs/dbraw/zinc/59/82/17/599598217.db2.gz IDKNENVKXUZCSU-CQSZACIVSA-N 1 0 399.499 1.742 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822319400 599598630 /nfs/dbraw/zinc/59/86/30/599598630.db2.gz QLGNFXDMITUJEU-HNNXBMFYSA-N 1 0 399.499 1.884 20 0 GDADRO CC[C@@H](COC)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736351888 599602449 /nfs/dbraw/zinc/60/24/49/599602449.db2.gz IHYKBNZZUWAQGG-KRWDZBQOSA-N 1 0 387.488 1.509 20 0 GDADRO CC[C@H](COC)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736353546 599613932 /nfs/dbraw/zinc/61/39/32/599613932.db2.gz OFJHOPXCHUOBES-MRXNPFEDSA-N 1 0 375.477 1.365 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)C1 ZINC000821088406 599616125 /nfs/dbraw/zinc/61/61/25/599616125.db2.gz MKZLPZNHARRZED-AWEZNQCLSA-N 1 0 385.472 1.304 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000820127029 599651871 /nfs/dbraw/zinc/65/18/71/599651871.db2.gz HKICSVAVDKZIOY-BQYQJAHWSA-N 1 0 398.467 1.412 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000821701423 599657411 /nfs/dbraw/zinc/65/74/11/599657411.db2.gz NYFTZDXELMZPMG-CQSZACIVSA-N 1 0 388.472 1.492 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCSCc1ccccc1-c1nn[nH]n1 ZINC000821266430 599665939 /nfs/dbraw/zinc/66/59/39/599665939.db2.gz CPVNSKYUECDLOA-HNNXBMFYSA-N 1 0 389.529 1.883 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000821267333 599675944 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Cc1oc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1C ZINC000826341949 607477402 /nfs/dbraw/zinc/47/74/02/607477402.db2.gz UIPXQSFUEBKOTO-GDBMZVCRSA-N 1 0 399.499 1.964 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826389264 607478751 /nfs/dbraw/zinc/47/87/51/607478751.db2.gz TXLDRTMVGRXLSN-SZMVWBNQSA-N 1 0 381.484 1.342 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000826930467 601043024 /nfs/dbraw/zinc/04/30/24/601043024.db2.gz QMPKAJVKHPVQAW-UHFFFAOYSA-N 1 0 377.489 1.355 20 0 GDADRO FC(F)(F)COCCC[NH+]1CCN(Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826367637 607489510 /nfs/dbraw/zinc/48/95/10/607489510.db2.gz HZXUPYSVXRGORQ-UHFFFAOYSA-N 1 0 385.394 1.348 20 0 GDADRO CN(CC(=O)[O-])C(=O)CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000830727068 601156406 /nfs/dbraw/zinc/15/64/06/601156406.db2.gz IQOOHGZXHIZCLJ-UHFFFAOYSA-N 1 0 382.549 1.048 20 0 GDADRO COc1cc(OC)nc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000821728386 607494935 /nfs/dbraw/zinc/49/49/35/607494935.db2.gz VMVXSHXLKNOUDW-UHFFFAOYSA-N 1 0 396.455 1.386 20 0 GDADRO O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823607726 607497255 /nfs/dbraw/zinc/49/72/55/607497255.db2.gz WRMOQWZAACCXSB-BBRMVZONSA-N 1 0 388.497 1.504 20 0 GDADRO CCC(=O)N1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820833389 607500232 /nfs/dbraw/zinc/50/02/32/607500232.db2.gz WRKHQYXLAZJVMX-QGZVFWFLSA-N 1 0 399.499 1.015 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)[C@H](C)C1 ZINC000825452869 607512984 /nfs/dbraw/zinc/51/29/84/607512984.db2.gz RQSYNILNPHERHE-HIFRSBDPSA-N 1 0 387.492 1.045 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826452085 607518306 /nfs/dbraw/zinc/51/83/06/607518306.db2.gz HIVWZROEWOBQBR-YOEHRIQHSA-N 1 0 395.467 1.281 20 0 GDADRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)nc1 ZINC000826290614 607522462 /nfs/dbraw/zinc/52/24/62/607522462.db2.gz SATCPXLNVFDHJU-HNNXBMFYSA-N 1 0 378.440 1.816 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000826183039 607522594 /nfs/dbraw/zinc/52/25/94/607522594.db2.gz BROHTBJBHMPLPN-IRXDYDNUSA-N 1 0 399.543 1.866 20 0 GDADRO c1nc2cnccn2c1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826524856 607524351 /nfs/dbraw/zinc/52/43/51/607524351.db2.gz MWYDYKYVHIEKTG-UHFFFAOYSA-N 1 0 376.428 1.063 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000825851612 607525532 /nfs/dbraw/zinc/52/55/32/607525532.db2.gz WQAKYTNGOYQRTA-MRVWCRGKSA-N 1 0 391.501 1.050 20 0 GDADRO O=C(CC[NH+]1CCC(N2CCCNC2=O)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407375 607526123 /nfs/dbraw/zinc/52/61/23/607526123.db2.gz KZMWZIBGTQNTEP-UHFFFAOYSA-N 1 0 398.471 1.075 20 0 GDADRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C1CC1 ZINC000826150474 607530992 /nfs/dbraw/zinc/53/09/92/607530992.db2.gz FMWZPRKFPIGTDL-BXKDBHETSA-N 1 0 376.486 1.759 20 0 GDADRO C[C@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000828024144 601931389 /nfs/dbraw/zinc/93/13/89/601931389.db2.gz IQKSZXGOVXZZEV-IBGZPJMESA-N 1 0 377.510 1.971 20 0 GDADRO CCOCCO[C@H]1CC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825605556 607537216 /nfs/dbraw/zinc/53/72/16/607537216.db2.gz XINBTFPZIJQFFT-KRWDZBQOSA-N 1 0 398.471 1.519 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)CCCCC1 ZINC000825851676 607576672 /nfs/dbraw/zinc/57/66/72/607576672.db2.gz XDHHWFQLVVLOLG-UHFFFAOYSA-N 1 0 382.465 1.549 20 0 GDADRO C[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000826029042 607578338 /nfs/dbraw/zinc/57/83/38/607578338.db2.gz NDZBMSWUGFNFJP-UHFFFAOYSA-N 1 0 390.391 1.258 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1-c1nn[nH]n1 ZINC000826303044 607601293 /nfs/dbraw/zinc/60/12/93/607601293.db2.gz YPNLINYJYBBETN-AWEZNQCLSA-N 1 0 378.502 1.574 20 0 GDADRO 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399.484 1.037 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CCSC1 ZINC000821581968 606331105 /nfs/dbraw/zinc/33/11/05/606331105.db2.gz ZIMACIYWUYKGQS-INIZCTEOSA-N 1 0 379.465 1.242 20 0 GDADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000821650574 606331125 /nfs/dbraw/zinc/33/11/25/606331125.db2.gz UUFUDZQJVVKRFQ-QAPCUYQASA-N 1 0 384.484 1.889 20 0 GDADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821000202 606333517 /nfs/dbraw/zinc/33/35/17/606333517.db2.gz AWWNFQSGTHHVSH-ZWKOTPCHSA-N 1 0 383.500 1.432 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC000821584765 606366371 /nfs/dbraw/zinc/36/63/71/606366371.db2.gz RMSGHCSAFORVGY-UHFFFAOYSA-N 1 0 388.472 1.205 20 0 GDADRO C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820367418 606383454 /nfs/dbraw/zinc/38/34/54/606383454.db2.gz RXYWXXUUDAKWQL-CQSZACIVSA-N 1 0 386.504 1.253 20 0 GDADRO CC(C)(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[NH+]1CCCCC1 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C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)nc2)CC1 ZINC000821583518 606936787 /nfs/dbraw/zinc/93/67/87/606936787.db2.gz YEPHVVCQGUSRDP-UHFFFAOYSA-N 1 0 393.455 1.439 20 0 GDADRO O[C@H](C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823696687 606986393 /nfs/dbraw/zinc/98/63/93/606986393.db2.gz GKACDLOIUOJLBP-XYJFISCASA-N 1 0 399.451 1.788 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625652 607105077 /nfs/dbraw/zinc/10/50/77/607105077.db2.gz SSCGMZWJUVZNDT-WBMJQRKESA-N 1 0 389.891 1.875 20 0 GDADRO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504390 607107462 /nfs/dbraw/zinc/10/74/62/607107462.db2.gz PQNKCFTUZCBADH-WRWLIDTKSA-N 1 0 382.468 1.599 20 0 GDADRO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@H]3C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504393 607107743 /nfs/dbraw/zinc/10/77/43/607107743.db2.gz PQNKCFTUZCBADH-XAUMDUMWSA-N 1 0 382.468 1.599 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1-n1cccn1 ZINC000820420229 607131338 /nfs/dbraw/zinc/13/13/38/607131338.db2.gz NRSIXDUTTKJOGM-UONOGXRCSA-N 1 0 390.455 1.641 20 0 GDADRO COC(=O)CC1([NH2+]CCCOc2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC000821659059 607176410 /nfs/dbraw/zinc/17/64/10/607176410.db2.gz QHKOOWXTBQETLB-UHFFFAOYSA-N 1 0 375.429 1.338 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)C1CC1 ZINC000821216057 607181790 /nfs/dbraw/zinc/18/17/90/607181790.db2.gz ZYFMMBOXULWPBX-UHFFFAOYSA-N 1 0 377.836 1.059 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821160216 607183217 /nfs/dbraw/zinc/18/32/17/607183217.db2.gz HISFOGUEFPJNDI-LLVKDONJSA-N 1 0 391.863 1.259 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821581837 607183361 /nfs/dbraw/zinc/18/33/61/607183361.db2.gz VXVVUPLMENQNIP-LLVKDONJSA-N 1 0 377.836 1.011 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821253894 607183457 /nfs/dbraw/zinc/18/34/57/607183457.db2.gz IYHPEKFOWUOAIC-LBPRGKRZSA-N 1 0 391.863 1.401 20 0 GDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000823187211 607199445 /nfs/dbraw/zinc/19/94/45/607199445.db2.gz GCMXAMNZPKBIAY-CYBMUJFWSA-N 1 0 393.879 1.879 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821352167 607204186 /nfs/dbraw/zinc/20/41/86/607204186.db2.gz YMWSAGBFFSUZEW-LBPRGKRZSA-N 1 0 381.868 1.998 20 0 GDADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823150025 607225153 /nfs/dbraw/zinc/22/51/53/607225153.db2.gz KDEVSKLCEYEKOM-ZIAGYGMSSA-N 1 0 376.486 1.426 20 0 GDADRO Cc1cc(C)c(C[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c(=O)[nH]1 ZINC000826263061 607814816 /nfs/dbraw/zinc/81/48/16/607814816.db2.gz JSBGINAFLMMTNH-UHFFFAOYSA-N 1 0 388.453 1.148 20 0 GDADRO CC(=O)N1CC[C@H](C[N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000823972557 607857750 /nfs/dbraw/zinc/85/77/50/607857750.db2.gz CKEIWUPRBHADAI-GFCCVEGCSA-N 1 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C[C@H]1C[NH+](Cc2ccc(CNc3ccc(-c4nn[nH]n4)nn3)cc2)C[C@H](C)O1 ZINC000824984091 607988889 /nfs/dbraw/zinc/98/88/89/607988889.db2.gz GEGARAPHNUTPHM-KBPBESRZSA-N 1 0 380.456 1.878 20 0 GDADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000826133407 608002951 /nfs/dbraw/zinc/00/29/51/608002951.db2.gz LTYGMJLUJPIPSH-KUHUBIRLSA-N 1 0 389.456 1.966 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc(F)c(F)cc2F)c1-c1nn[nH]n1 ZINC000826077771 608019713 /nfs/dbraw/zinc/01/97/13/608019713.db2.gz VDZHTSBYDFWVRS-UHFFFAOYSA-N 1 0 394.361 1.340 20 0 GDADRO CCO[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccccc1 ZINC000825576526 608020328 /nfs/dbraw/zinc/02/03/28/608020328.db2.gz JBMCKHQUCWPWGU-HNNXBMFYSA-N 1 0 384.444 1.458 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ncoc2-c2ccccc2)c1-c1nn[nH]n1 ZINC000826083577 608021093 /nfs/dbraw/zinc/02/10/93/608021093.db2.gz NJVFJZFUIGQBFX-UHFFFAOYSA-N 1 0 393.411 1.649 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCSc3ccccc32)c1-c1nn[nH]n1 ZINC000826077384 608021347 /nfs/dbraw/zinc/02/13/47/608021347.db2.gz GOMFNHPTXMPRCT-GFCCVEGCSA-N 1 0 398.496 1.960 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cc(F)ccc2F)c1-c1nn[nH]n1 ZINC000826077864 608021442 /nfs/dbraw/zinc/02/14/42/608021442.db2.gz YCEVIDONEPJGIX-UHFFFAOYSA-N 1 0 390.398 1.591 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2nccc3ccccc32)c1-c1nn[nH]n1 ZINC000826084397 608022505 /nfs/dbraw/zinc/02/25/05/608022505.db2.gz ZVEQFRPXJJHXBY-UHFFFAOYSA-N 1 0 377.412 1.542 20 0 GDADRO CC(C)n1ncc2cc(C[N@H+](C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)cnc21 ZINC000824377470 608035227 /nfs/dbraw/zinc/03/52/27/608035227.db2.gz FTGBZACVCBOGFC-UHFFFAOYSA-N 1 0 395.475 1.562 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000825935132 608035518 /nfs/dbraw/zinc/03/55/18/608035518.db2.gz VKKIKNWAQBFPCH-UHFFFAOYSA-N 1 0 390.835 1.619 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000824300984 608040915 /nfs/dbraw/zinc/04/09/15/608040915.db2.gz PEYMZBLBJZCCJH-UHFFFAOYSA-N 1 0 383.500 1.497 20 0 GDADRO CS[C@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1N(C)C ZINC000826227263 608088770 /nfs/dbraw/zinc/08/87/70/608088770.db2.gz ONIRHORJJBENHD-GJZGRUSLSA-N 1 0 375.502 1.173 20 0 GDADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@@H]1[NH+](C)C ZINC000826227363 608088850 /nfs/dbraw/zinc/08/88/50/608088850.db2.gz PQTAIDLSPAKSAO-TUKIKUTGSA-N 1 0 375.502 1.171 20 0 GDADRO Fc1ccccc1N1CCC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000826378674 608101423 /nfs/dbraw/zinc/10/14/23/608101423.db2.gz VSELZJFHIPYZHL-UONOGXRCSA-N 1 0 397.462 1.503 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H]1CC[C@H]3SCCS[C@@H]13)C2 ZINC000826527007 608101667 /nfs/dbraw/zinc/10/16/67/608101667.db2.gz VRNOPNJSWNMROO-SQNXGDPESA-N 1 0 378.531 1.074 20 0 GDADRO COc1ccccc1OC[C@@H](C)C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000826220719 608113349 /nfs/dbraw/zinc/11/33/49/608113349.db2.gz XJXGUBXLSMLGRZ-UONOGXRCSA-N 1 0 398.471 1.418 20 0 GDADRO 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CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(CCOC)C2)s1 ZINC000542475328 650405811 /nfs/dbraw/zinc/40/58/11/650405811.db2.gz VAYVOJTYMPUJFE-CQSZACIVSA-N 1 0 375.560 1.589 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(Br)cn2)CC1 ZINC000542709884 650410530 /nfs/dbraw/zinc/41/05/30/650410530.db2.gz KJDQHPPWBRZSMK-UHFFFAOYSA-N 1 0 376.320 1.995 20 0 GDADRO COc1cc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)sc1S(N)(=O)=O ZINC000543386232 650421618 /nfs/dbraw/zinc/42/16/18/650421618.db2.gz QJINMPITGZUCMX-LLVKDONJSA-N 1 0 375.516 1.398 20 0 GDADRO CCOC(=O)c1sc([C@@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)nc1C ZINC000543548288 650423798 /nfs/dbraw/zinc/42/37/98/650423798.db2.gz HOLVPPXNMVQOLL-OLZOCXBDSA-N 1 0 389.543 1.950 20 0 GDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000543939010 650432366 /nfs/dbraw/zinc/43/23/66/650432366.db2.gz UGOGESVBNYXUQK-JTQLQIEISA-N 1 0 382.258 1.946 20 0 GDADRO COc1cc(Br)ccc1CCC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000543961285 650432746 /nfs/dbraw/zinc/43/27/46/650432746.db2.gz HPHBGCSNZIGQCM-HNNXBMFYSA-N 1 0 384.318 1.752 20 0 GDADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000545384983 650456520 /nfs/dbraw/zinc/45/65/20/650456520.db2.gz RLABTAOSGXKTQM-UHFFFAOYSA-N 1 0 381.495 1.063 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000545902092 650465073 /nfs/dbraw/zinc/46/50/73/650465073.db2.gz LEULCODHBREZGQ-OAHLLOKOSA-N 1 0 398.301 1.904 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)NCC[NH+]3CCC3)C2=O)ccc1Br ZINC000545916905 650466448 /nfs/dbraw/zinc/46/64/48/650466448.db2.gz WLTWKNBHOCOZBR-HNNXBMFYSA-N 1 0 395.301 1.868 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000547280870 650493939 /nfs/dbraw/zinc/49/39/39/650493939.db2.gz IVIUKHJTYXGZAO-AWEZNQCLSA-N 1 0 393.303 1.111 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000547292432 650494290 /nfs/dbraw/zinc/49/42/90/650494290.db2.gz KLLKXTNRWHYUEA-IRXDYDNUSA-N 1 0 381.885 1.452 20 0 GDADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CCSCC1 ZINC000547978866 650526585 /nfs/dbraw/zinc/52/65/85/650526585.db2.gz QGUKPJWMZODXQD-AWEZNQCLSA-N 1 0 377.576 1.149 20 0 GDADRO CS(=O)(=O)N1CC[C@H](C[N@H+](CCO)Cc2cccc(Br)c2)C1 ZINC000549164134 650571521 /nfs/dbraw/zinc/57/15/21/650571521.db2.gz ATUDPTFZODZVSZ-CQSZACIVSA-N 1 0 391.331 1.525 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2ncc(C(F)(F)F)s2)C1 ZINC000549289673 650574337 /nfs/dbraw/zinc/57/43/37/650574337.db2.gz ZUGITBPMKPXPDV-VIFPVBQESA-N 1 0 379.408 1.871 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000550213074 650590757 /nfs/dbraw/zinc/59/07/57/650590757.db2.gz GPUUBPGDKXKFLJ-UHFFFAOYSA-N 1 0 387.933 1.548 20 0 GDADRO Cn1ncc(I)c1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000550714017 650596752 /nfs/dbraw/zinc/59/67/52/650596752.db2.gz PYUYWKMOPZELEA-UHFFFAOYSA-N 1 0 376.242 1.439 20 0 GDADRO COc1cc(C[NH2+]C[C@@H](O)CN2CCOCC2)cc(Br)c1OC ZINC000550878306 650598119 /nfs/dbraw/zinc/59/81/19/650598119.db2.gz 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ZINC000419070782 645911037 /nfs/dbraw/zinc/91/10/37/645911037.db2.gz OWIZLLHIULGFIW-CYBMUJFWSA-N 1 0 388.693 1.929 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419182877 645914026 /nfs/dbraw/zinc/91/40/26/645914026.db2.gz HYUJNMGWSNXGDM-JSGCOSHPSA-N 1 0 397.317 1.116 20 0 GDADRO CC(C)N(CCCNC(=O)C[N@@H+]1CCSC[C@@H]1C1CCC1)S(C)(=O)=O ZINC000419370454 645914551 /nfs/dbraw/zinc/91/45/51/645914551.db2.gz HKZSSEJQCINZNX-MRXNPFEDSA-N 1 0 391.603 1.380 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000419400403 645916140 /nfs/dbraw/zinc/91/61/40/645916140.db2.gz KWBNENJJRCZZNR-GHMZBOCLSA-N 1 0 389.283 1.327 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCc1cc(Cl)ccc1Br ZINC000419491318 645920983 /nfs/dbraw/zinc/92/09/83/645920983.db2.gz GAEPWORRDRFNRU-SECBINFHSA-N 1 0 376.682 1.615 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000419745721 645930262 /nfs/dbraw/zinc/93/02/62/645930262.db2.gz KOWAQRKPQZCDHS-VIFPVBQESA-N 1 0 390.253 1.849 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000419867393 645932232 /nfs/dbraw/zinc/93/22/32/645932232.db2.gz VCMFURDKMDIYEX-ZDUSSCGKSA-N 1 0 384.933 1.162 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419868661 645932308 /nfs/dbraw/zinc/93/23/08/645932308.db2.gz RFGJDNRRUIXCPE-HNNXBMFYSA-N 1 0 394.313 1.793 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419869441 645932488 /nfs/dbraw/zinc/93/24/88/645932488.db2.gz WEPAASHGSVWCHJ-GFCCVEGCSA-N 1 0 398.301 1.532 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000419875097 645933154 /nfs/dbraw/zinc/93/31/54/645933154.db2.gz WHHLGLXWMLEISR-IUODEOHRSA-N 1 0 386.279 1.827 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)C1CC1 ZINC000420057953 645934188 /nfs/dbraw/zinc/93/41/88/645934188.db2.gz IFTOJPRSRJZZOX-LSDHHAIUSA-N 1 0 396.285 1.203 20 0 GDADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000420155092 645936947 /nfs/dbraw/zinc/93/69/47/645936947.db2.gz DUFJROKAWZPULZ-TZMCWYRMSA-N 1 0 384.933 1.302 20 0 GDADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420188900 645938113 /nfs/dbraw/zinc/93/81/13/645938113.db2.gz DFIJFOZTXODZHJ-HNNXBMFYSA-N 1 0 398.301 1.291 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1CC[NH2+][C@H](C)C1 ZINC000420334194 645940373 /nfs/dbraw/zinc/94/03/73/645940373.db2.gz IVRMVOROPBWPEF-CYBMUJFWSA-N 1 0 397.317 1.448 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C[C@@H](O)C[NH3+] ZINC000420349646 645940858 /nfs/dbraw/zinc/94/08/58/645940858.db2.gz DMVKMQNMROMEIX-VIFPVBQESA-N 1 0 384.196 1.658 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000420354210 645941600 /nfs/dbraw/zinc/94/16/00/645941600.db2.gz AYAATOTUQZKXTG-PEBVRCNWSA-N 1 0 397.317 1.480 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000420473581 645943787 /nfs/dbraw/zinc/94/37/87/645943787.db2.gz DNHUJNLFJDLFTP-IUODEOHRSA-N 1 0 388.511 1.442 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC000570925219 651060534 /nfs/dbraw/zinc/06/05/34/651060534.db2.gz LQNCCUICTUPCGI-NSHDSACASA-N 1 0 389.315 1.985 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1OC ZINC000420740390 645960416 /nfs/dbraw/zinc/96/04/16/645960416.db2.gz RJOOXBRHXUSOLV-LBPRGKRZSA-N 1 0 390.889 1.850 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)c1csnn1)c1ccsc1 ZINC000421516244 646011958 /nfs/dbraw/zinc/01/19/58/646011958.db2.gz HFCIEDLWNWCSMA-BXUZGUMPSA-N 1 0 381.527 1.976 20 0 GDADRO O=C(NCc1nccn1CC(F)(F)F)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000916551156 660195348 /nfs/dbraw/zinc/19/53/48/660195348.db2.gz FAQNGXPJBAGQFU-RYUDHWBXSA-N 1 0 377.436 1.824 20 0 GDADRO C[NH+](C)C1CCC(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000422138192 646045053 /nfs/dbraw/zinc/04/50/53/646045053.db2.gz YSHFQFQXOIUJDG-UHFFFAOYSA-N 1 0 387.933 1.997 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000422269444 646053297 /nfs/dbraw/zinc/05/32/97/646053297.db2.gz MEOOFYPEUOXMJV-WFASDCNBSA-N 1 0 397.317 1.964 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000422408200 646065485 /nfs/dbraw/zinc/06/54/85/646065485.db2.gz CNTOYSWHBLJWPF-WFASDCNBSA-N 1 0 394.313 1.849 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000422419980 646066676 /nfs/dbraw/zinc/06/66/76/646066676.db2.gz AVPFNKVFCNVQDJ-LRDDRELGSA-N 1 0 394.313 1.973 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422554439 646078086 /nfs/dbraw/zinc/07/80/86/646078086.db2.gz MMOAAFULVCBSFV-UPJWGTAASA-N 1 0 390.527 1.093 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000422556149 646078503 /nfs/dbraw/zinc/07/85/03/646078503.db2.gz SGEMDDXHJBWDHZ-AXFHLTTASA-N 1 0 376.500 1.537 20 0 GDADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C[C@H]1C[NH3+] ZINC000422556546 646078508 /nfs/dbraw/zinc/07/85/08/646078508.db2.gz TYVSSEFKPQBPJR-IJLUTSLNSA-N 1 0 393.506 1.191 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)C[C@@H]2COCCN2)s1 ZINC000422721972 646098007 /nfs/dbraw/zinc/09/80/07/646098007.db2.gz WLBPAJIESSFROZ-HUUCEWRRSA-N 1 0 389.587 1.678 20 0 GDADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000422925872 646099907 /nfs/dbraw/zinc/09/99/07/646099907.db2.gz VQJVWJVHVYBMTO-XJKSGUPXSA-N 1 0 385.917 1.561 20 0 GDADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000422943551 646101882 /nfs/dbraw/zinc/10/18/82/646101882.db2.gz YEFLTNNOHZEPBU-OCCSQVGLSA-N 1 0 385.258 1.604 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)s1 ZINC000422961605 646103888 /nfs/dbraw/zinc/10/38/88/646103888.db2.gz ZLZNTNCLEAIKHM-HNNXBMFYSA-N 1 0 381.523 1.999 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422958967 646103908 /nfs/dbraw/zinc/10/39/08/646103908.db2.gz ZTBBQVNJBYCUNJ-ZIAGYGMSSA-N 1 0 384.274 1.062 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000422995220 646106743 /nfs/dbraw/zinc/10/67/43/646106743.db2.gz JPRUAVHSXDLOPS-UONOGXRCSA-N 1 0 380.286 1.475 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C[C@@]1(C)C[NH3+] ZINC000423001715 646107589 /nfs/dbraw/zinc/10/75/89/646107589.db2.gz XNXAEENUMFMZJM-SJKOYZFVSA-N 1 0 382.302 1.851 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000423070335 646110949 /nfs/dbraw/zinc/11/09/49/646110949.db2.gz COYJLZRCPLIQMI-VBNZEHGJSA-N 1 0 385.302 1.483 20 0 GDADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423095092 646112016 /nfs/dbraw/zinc/11/20/16/646112016.db2.gz DEATXSBBGBLOLD-OAHLLOKOSA-N 1 0 398.301 1.372 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC([NH+](C)C)C2)cc1F ZINC000916929072 660203618 /nfs/dbraw/zinc/20/36/18/660203618.db2.gz BOBYZCBRSZQMDM-UHFFFAOYSA-N 1 0 393.506 1.348 20 0 GDADRO C[C@@H](C[C@H]1COCCN1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423115998 646115152 /nfs/dbraw/zinc/11/51/52/646115152.db2.gz ONZRLOYFUNBBMJ-AAEUAGOBSA-N 1 0 379.885 1.114 20 0 GDADRO COC[C@@]1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[NH2+]C1 ZINC000423139284 646116445 /nfs/dbraw/zinc/11/64/45/646116445.db2.gz VGKPJJMEZYZSGY-MRXNPFEDSA-N 1 0 394.273 1.477 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000423161029 646117073 /nfs/dbraw/zinc/11/70/73/646117073.db2.gz NCFMRIUERAUAOM-USXIJHARSA-N 1 0 399.329 1.792 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2F)C[C@H](C)[NH2+]1 ZINC000423232114 646119214 /nfs/dbraw/zinc/11/92/14/646119214.db2.gz MLDBVCZOLOJSPA-PHIMTYICSA-N 1 0 386.265 1.755 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C1 ZINC000423245608 646121718 /nfs/dbraw/zinc/12/17/18/646121718.db2.gz OXXUEQNNUBUJHH-OAHLLOKOSA-N 1 0 396.329 1.908 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000423250808 646122512 /nfs/dbraw/zinc/12/25/12/646122512.db2.gz VMWOYPQKECYZAN-HIFRSBDPSA-N 1 0 396.329 1.893 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C[C@@H](C)[NH2+]1 ZINC000423365262 646124011 /nfs/dbraw/zinc/12/40/11/646124011.db2.gz WISQNGYSSIDEOW-RKDXNWHRSA-N 1 0 375.313 1.539 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000916660091 660198004 /nfs/dbraw/zinc/19/80/04/660198004.db2.gz CPCXXBNRWKNSQF-DAOMAXFVSA-N 1 0 386.543 1.118 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(OCC(F)(F)F)nc3)C[C@@H]2C1 ZINC000916664315 660198282 /nfs/dbraw/zinc/19/82/82/660198282.db2.gz VPHWOKPLQAOZOK-NEPJUHHUSA-N 1 0 379.404 1.595 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000423524528 646127255 /nfs/dbraw/zinc/12/72/55/646127255.db2.gz XIVACEYMZAAQAT-UHFFFAOYSA-N 1 0 382.302 1.866 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)C[C@@H]2C1 ZINC000916666702 660198312 /nfs/dbraw/zinc/19/83/12/660198312.db2.gz ZILBAJUEVBXEEO-OLZOCXBDSA-N 1 0 383.901 1.797 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C[C@H]1[NH3+] ZINC000423534188 646129108 /nfs/dbraw/zinc/12/91/08/646129108.db2.gz VLBRAJWRBMCMOL-IFUGULHKSA-N 1 0 386.279 1.779 20 0 GDADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423556442 646129609 /nfs/dbraw/zinc/12/96/09/646129609.db2.gz HBLAVIMICPJZJW-QWHCGFSZSA-N 1 0 398.301 1.545 20 0 GDADRO CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000423579982 646133299 /nfs/dbraw/zinc/13/32/99/646133299.db2.gz QCBVBTPALPSLMZ-DGCLKSJQSA-N 1 0 382.258 1.291 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000423600726 646135784 /nfs/dbraw/zinc/13/57/84/646135784.db2.gz ZJSKIKRBSSURHU-GFCCVEGCSA-N 1 0 386.265 1.757 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000423609175 646136532 /nfs/dbraw/zinc/13/65/32/646136532.db2.gz PBOFFMKBFISFTQ-LLVKDONJSA-N 1 0 384.274 1.236 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000423618192 646137820 /nfs/dbraw/zinc/13/78/20/646137820.db2.gz UEDASMHEAKVPSK-AWEZNQCLSA-N 1 0 398.301 1.497 20 0 GDADRO COC[C@]1(C(=O)Nc2ccc(I)c(C)n2)CC[NH2+]C1 ZINC000423653065 646139219 /nfs/dbraw/zinc/13/92/19/646139219.db2.gz YAEOBIRBVMKFQH-ZDUSSCGKSA-N 1 0 375.210 1.559 20 0 GDADRO Cc1c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc(Br)cc1S(N)(=O)=O ZINC000423962917 646146856 /nfs/dbraw/zinc/14/68/56/646146856.db2.gz VPSUNCYYYMRAMD-LBPRGKRZSA-N 1 0 392.319 1.508 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C[C@H]1[NH3+] ZINC000423962183 646146947 /nfs/dbraw/zinc/14/69/47/646146947.db2.gz TZWZEGKAYDXQGB-OIBJUYFYSA-N 1 0 379.251 1.411 20 0 GDADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423987753 646149593 /nfs/dbraw/zinc/14/95/93/646149593.db2.gz HZNDVCMXZHUMFP-GOEBONIOSA-N 1 0 385.302 1.749 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(I)c1 ZINC000423994745 646151312 /nfs/dbraw/zinc/15/13/12/646151312.db2.gz SYOZGMYGTRWBNI-VIFPVBQESA-N 1 0 380.613 1.663 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@H]1c1cccc(F)c1 ZINC000424015110 646153277 /nfs/dbraw/zinc/15/32/77/646153277.db2.gz XZZMFVWWZBTZML-LSDHHAIUSA-N 1 0 394.244 1.703 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000424056441 646156742 /nfs/dbraw/zinc/15/67/42/646156742.db2.gz KTWKLXUGNAYBRA-LBPRGKRZSA-N 1 0 396.285 1.114 20 0 GDADRO CN1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1=O ZINC000424190238 646161348 /nfs/dbraw/zinc/16/13/48/646161348.db2.gz PDKVHUOMODKMSY-LLVKDONJSA-N 1 0 390.303 1.055 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000424336798 646173902 /nfs/dbraw/zinc/17/39/02/646173902.db2.gz RAQKSNCCLXUNIL-NUEKZKHPSA-N 1 0 385.555 1.123 20 0 GDADRO COc1ccc(Br)c(C(=O)NCCCNc2cc[nH+]cc2CO)c1 ZINC000892440973 658327248 /nfs/dbraw/zinc/32/72/48/658327248.db2.gz XMNBVNMAPQPLAY-UHFFFAOYSA-N 1 0 394.269 1.999 20 0 GDADRO NC(=O)CC1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438846834 646224409 /nfs/dbraw/zinc/22/44/09/646224409.db2.gz KZDQOFVLHFIRMI-AWEZNQCLSA-N 1 0 389.265 1.915 20 0 GDADRO CC[C@@H](C)[C@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440517505 646246805 /nfs/dbraw/zinc/24/68/05/646246805.db2.gz IKRMTYUGCBBKDB-KGLIPLIRSA-N 1 0 376.544 1.735 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2occc2Br)CC1 ZINC000917554095 660215697 /nfs/dbraw/zinc/21/56/97/660215697.db2.gz XSRAPPAQBXAKCC-UHFFFAOYSA-N 1 0 381.292 1.556 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC(Cc2ccc(Br)cc2)C1 ZINC000917961173 660226076 /nfs/dbraw/zinc/22/60/76/660226076.db2.gz SJXLVJKPJVCSOQ-KRWDZBQOSA-N 1 0 395.345 1.879 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000900481682 659113023 /nfs/dbraw/zinc/11/30/23/659113023.db2.gz CKTGVINNNJICPK-RHSMWYFYSA-N 1 0 398.301 1.140 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000912815878 660055067 /nfs/dbraw/zinc/05/50/67/660055067.db2.gz READYSHZCAVJSU-GJZGRUSLSA-N 1 0 387.571 1.995 20 0 GDADRO C[NH+](C)CC1CN(S(=O)(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000907216360 659700464 /nfs/dbraw/zinc/70/04/64/659700464.db2.gz FHIPZLWNBUYOBQ-UHFFFAOYSA-N 1 0 375.535 1.457 20 0 GDADRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000918396574 660234964 /nfs/dbraw/zinc/23/49/64/660234964.db2.gz SKVKOAOXZFWSLU-JTQLQIEISA-N 1 0 390.303 1.311 20 0 GDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCS[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000918907206 660242590 /nfs/dbraw/zinc/24/25/90/660242590.db2.gz WKDATVSIOPEZTJ-TZMCWYRMSA-N 1 0 380.480 1.844 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C1 ZINC000918955032 660243802 /nfs/dbraw/zinc/24/38/02/660243802.db2.gz BEARJSIJNNJKPV-INIZCTEOSA-N 1 0 384.889 1.360 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C1 ZINC000918956575 660243804 /nfs/dbraw/zinc/24/38/04/660243804.db2.gz OJJLLEXLWPXQQP-HNNXBMFYSA-N 1 0 380.432 1.869 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)sc1Br ZINC000918955072 660243872 /nfs/dbraw/zinc/24/38/72/660243872.db2.gz BTZGEDOSRYCMAI-CYBMUJFWSA-N 1 0 397.360 1.896 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000918956886 660243880 /nfs/dbraw/zinc/24/38/80/660243880.db2.gz QYTSDVATYMCKFN-AWEZNQCLSA-N 1 0 395.294 1.665 20 0 GDADRO COc1ccc(Cl)cc1CS(=O)(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000443072735 647177813 /nfs/dbraw/zinc/17/78/13/647177813.db2.gz DZVNFDCJGNVXTH-UHFFFAOYSA-N 1 0 389.949 1.794 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)s1 ZINC000443315044 647199640 /nfs/dbraw/zinc/19/96/40/647199640.db2.gz CQIPFCMBDWPYKQ-KXUCPTDWSA-N 1 0 395.344 1.853 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443802408 647225481 /nfs/dbraw/zinc/22/54/81/647225481.db2.gz NXMDAUXAMYWABV-CYBMUJFWSA-N 1 0 387.527 1.031 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444082691 647240769 /nfs/dbraw/zinc/24/07/69/647240769.db2.gz ISQWZOTVVSTHIU-CYBMUJFWSA-N 1 0 389.543 1.136 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)NCC[C@H]1CCC[NH2+]1 ZINC000444260351 647247209 /nfs/dbraw/zinc/24/72/09/647247209.db2.gz ROSVQWLNCAJCBN-GFCCVEGCSA-N 1 0 379.258 1.417 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)Cc1ccc(Cl)nc1)C2 ZINC000920282459 660269126 /nfs/dbraw/zinc/26/91/26/660269126.db2.gz PYDNUGDKHGYXQM-SRABZTEZSA-N 1 0 387.933 1.634 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cnc(OC)s3)C2)[C@@H]1C(C)C ZINC000920303836 660269778 /nfs/dbraw/zinc/26/97/78/660269778.db2.gz SCZBBSMPUNVIJC-HLSYRSCKSA-N 1 0 389.543 1.300 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(I)c2)C1 ZINC000445560690 647270851 /nfs/dbraw/zinc/27/08/51/647270851.db2.gz ZFWVIKDLOHPCRI-GHMZBOCLSA-N 1 0 380.251 1.839 20 0 GDADRO COC(=O)[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(Br)cc1 ZINC000446386775 647287609 /nfs/dbraw/zinc/28/76/09/647287609.db2.gz RJQIJKKIFGMIEK-CYBMUJFWSA-N 1 0 393.241 1.462 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(OC)c(S(N)(=O)=O)s2)C1 ZINC000446917117 647297410 /nfs/dbraw/zinc/29/74/10/647297410.db2.gz VQKPHOYXKDHKNE-LLVKDONJSA-N 1 0 375.516 1.208 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)Cc2c(F)cccc2F)CC1 ZINC000452053258 647306493 /nfs/dbraw/zinc/30/64/93/647306493.db2.gz XRUILIXVUZIZTP-UHFFFAOYSA-N 1 0 375.485 1.800 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000453810158 647338695 /nfs/dbraw/zinc/33/86/95/647338695.db2.gz WYHVCXRAFQLOBF-LLVKDONJSA-N 1 0 375.803 1.520 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1Br ZINC000453813730 647339193 /nfs/dbraw/zinc/33/91/93/647339193.db2.gz CMHCXZLOXJEROR-AWEZNQCLSA-N 1 0 398.301 1.659 20 0 GDADRO O=C(C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1)N1CCNC(=O)C1 ZINC000920761478 660275353 /nfs/dbraw/zinc/27/53/53/660275353.db2.gz OUJRITMMZQNPSF-OAHLLOKOSA-N 1 0 380.286 1.414 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000453819900 647340210 /nfs/dbraw/zinc/34/02/10/647340210.db2.gz NVJZRYNJWXEWJR-CYBMUJFWSA-N 1 0 398.301 1.659 20 0 GDADRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)[NH+](C)C ZINC000455445314 647379305 /nfs/dbraw/zinc/37/93/05/647379305.db2.gz SADNVVKRRJBPAT-ZDUSSCGKSA-N 1 0 388.921 1.306 20 0 GDADRO C[NH2+]C(C)(C)CNC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000455912237 647392146 /nfs/dbraw/zinc/39/21/46/647392146.db2.gz WHJPGLVKALPHNV-UHFFFAOYSA-N 1 0 399.337 1.715 20 0 GDADRO Cc1c(C(=O)NC(C)(C)C[NH+](C)C)cc(Br)cc1S(N)(=O)=O ZINC000457205953 647415224 /nfs/dbraw/zinc/41/52/24/647415224.db2.gz LCRRNOYEMPRUAO-UHFFFAOYSA-N 1 0 392.319 1.475 20 0 GDADRO Cc1cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)ccc1Br ZINC000457855287 647427651 /nfs/dbraw/zinc/42/76/51/647427651.db2.gz BLLUKAKSDVFPHK-CQSZACIVSA-N 1 0 382.302 1.784 20 0 GDADRO O=C(CC[N@H+]1CCC[C@](O)(CO)C1)Nc1ccc(Br)cc1F ZINC000459643756 647462443 /nfs/dbraw/zinc/46/24/43/647462443.db2.gz CXOAMHMZLXUFSJ-OAHLLOKOSA-N 1 0 375.238 1.736 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459644995 647462513 /nfs/dbraw/zinc/46/25/13/647462513.db2.gz FXKJXBTZQVXAER-GUYCJALGSA-N 1 0 385.302 1.615 20 0 GDADRO O[C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)Cn1ccnn1 ZINC000459700240 647465028 /nfs/dbraw/zinc/46/50/28/647465028.db2.gz OZAVFXIXSXNIPC-SNVBAGLBSA-N 1 0 390.079 1.954 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1Br ZINC000460253741 647468316 /nfs/dbraw/zinc/46/83/16/647468316.db2.gz JONWHLBVVZQVAX-BZNIZROVSA-N 1 0 386.290 1.885 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461417066 647493265 /nfs/dbraw/zinc/49/32/65/647493265.db2.gz GPDLFFLWJLZKPR-JKSUJKDBSA-N 1 0 391.603 1.382 20 0 GDADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000461627098 647497686 /nfs/dbraw/zinc/49/76/86/647497686.db2.gz CCLHWGQBEGQHIG-CYBMUJFWSA-N 1 0 375.922 1.855 20 0 GDADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000461800074 647502244 /nfs/dbraw/zinc/50/22/44/647502244.db2.gz GVRAQRVMZBHHAD-JKSUJKDBSA-N 1 0 376.567 1.420 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000466077328 647605919 /nfs/dbraw/zinc/60/59/19/647605919.db2.gz KWXRLDMSAKSHJZ-HWOWSKLDSA-N 1 0 375.535 1.094 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1Br ZINC000466815194 647618888 /nfs/dbraw/zinc/61/88/88/647618888.db2.gz LQGWFNKEYXDTTH-UHFFFAOYSA-N 1 0 385.306 1.517 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cc1Br ZINC000467185914 647636102 /nfs/dbraw/zinc/63/61/02/647636102.db2.gz JSUIRUNLIJQXTM-UHFFFAOYSA-N 1 0 399.333 1.954 20 0 GDADRO C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000921551044 660307856 /nfs/dbraw/zinc/30/78/56/660307856.db2.gz XKUKAXYNZGZLNP-HNNXBMFYSA-N 1 0 397.317 1.789 20 0 GDADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCCOCC[NH+](C)C ZINC000471641446 647749793 /nfs/dbraw/zinc/74/97/93/647749793.db2.gz DZKAASYDARNTMA-UHFFFAOYSA-N 1 0 379.320 1.922 20 0 GDADRO C[NH+](C)CCOCCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000471659275 647751001 /nfs/dbraw/zinc/75/10/01/647751001.db2.gz 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COC[C@H](O)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480180773 647841093 /nfs/dbraw/zinc/84/10/93/647841093.db2.gz NFMVVOABSGCCFT-YPMHNXCESA-N 1 0 378.288 1.655 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CCSC1 ZINC000480359749 647844911 /nfs/dbraw/zinc/84/49/11/647844911.db2.gz TYTQTOUVPOQXIK-CYBMUJFWSA-N 1 0 397.975 1.233 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC000480469669 647850224 /nfs/dbraw/zinc/85/02/24/647850224.db2.gz KZUFDMOTMHVBGK-CQSZACIVSA-N 1 0 389.543 1.056 20 0 GDADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000480744053 647853991 /nfs/dbraw/zinc/85/39/91/647853991.db2.gz SVUASIJSMSTFKE-LSDHHAIUSA-N 1 0 380.286 1.779 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000484984260 647921723 /nfs/dbraw/zinc/92/17/23/647921723.db2.gz BVZFFOARLNMKSL-UONOGXRCSA-N 1 0 384.318 1.955 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000487460677 647953946 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O=C(NCCN1CCCS1(=O)=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000522272029 648675160 /nfs/dbraw/zinc/67/51/60/648675160.db2.gz RGKKSNTZMDQTAQ-UHFFFAOYSA-N 1 0 383.539 1.001 20 0 GDADRO COC1CC[NH+](C(C)(C)CNC(=O)NCc2n[nH]cc2Br)CC1 ZINC000523432241 648683215 /nfs/dbraw/zinc/68/32/15/648683215.db2.gz HIAPPYWDQWZBKT-UHFFFAOYSA-N 1 0 388.310 1.861 20 0 GDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000523662379 648685949 /nfs/dbraw/zinc/68/59/49/648685949.db2.gz OUVXFLZBJNTJOD-AWEZNQCLSA-N 1 0 385.555 1.628 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)C[C@@H]1C ZINC000524872024 648695690 /nfs/dbraw/zinc/69/56/90/648695690.db2.gz HMJKIPUFHJEIKH-GJZGRUSLSA-N 1 0 388.555 1.974 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ncc(Br)cc1F ZINC000527673781 648708906 /nfs/dbraw/zinc/70/89/06/648708906.db2.gz OPBBTOVIJOVIJC-JOYOIKCWSA-N 1 0 380.283 1.791 20 0 GDADRO CC(=O)NCC(=O)N1CCCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000528735937 648726945 /nfs/dbraw/zinc/72/69/45/648726945.db2.gz YHWZHUZOWPNVOU-MRXNPFEDSA-N 1 0 398.301 1.153 20 0 GDADRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000528768419 648728526 /nfs/dbraw/zinc/72/85/26/648728526.db2.gz VHXNNHABLKSEOT-SPTRTOBYSA-N 1 0 375.878 1.327 20 0 GDADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000528768417 648728660 /nfs/dbraw/zinc/72/86/60/648728660.db2.gz VHXNNHABLKSEOT-DRNSDYETSA-N 1 0 375.878 1.327 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000571036662 651063794 /nfs/dbraw/zinc/06/37/94/651063794.db2.gz MRMAYGAGPYGQQA-MRXNPFEDSA-N 1 0 381.274 1.645 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2 ZINC000571165933 651067667 /nfs/dbraw/zinc/06/76/67/651067667.db2.gz NPTRKYQIRBOTOH-NWDGAFQWSA-N 1 0 382.302 1.884 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000571415191 651076596 /nfs/dbraw/zinc/07/65/96/651076596.db2.gz OKZANVCBVIHZGZ-UHFFFAOYSA-N 1 0 383.290 1.795 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000571519469 651078908 /nfs/dbraw/zinc/07/89/08/651078908.db2.gz QZVTUJXYBQBBNR-SNVBAGLBSA-N 1 0 382.770 1.562 20 0 GDADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CC(=O)Nc1cc(Br)ccc1C ZINC000571634736 651080166 /nfs/dbraw/zinc/08/01/66/651080166.db2.gz YWQBEWRIBDDMBH-OCCSQVGLSA-N 1 0 389.290 1.698 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000571693174 651080788 /nfs/dbraw/zinc/08/07/88/651080788.db2.gz BCIVAYFQQCEQHO-HNNXBMFYSA-N 1 0 397.607 1.040 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000571777948 651082218 /nfs/dbraw/zinc/08/22/18/651082218.db2.gz KNMZESOBYSCGRG-LLVKDONJSA-N 1 0 396.285 1.198 20 0 GDADRO C[C@](C[NH3+])(NC(=O)CS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000571882643 651085632 /nfs/dbraw/zinc/08/56/32/651085632.db2.gz RXGQUWLZWPVSIC-CQSZACIVSA-N 1 0 375.288 1.466 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000571905428 651086801 /nfs/dbraw/zinc/08/68/01/651086801.db2.gz IIBGZPOMIZXEAT-OKILXGFUSA-N 1 0 387.933 1.916 20 0 GDADRO O=C(CCOC1C[NH2+]C1)NCc1cc(Cl)cc(I)c1 ZINC000572112971 651090763 /nfs/dbraw/zinc/09/07/63/651090763.db2.gz CZFHODXIRWRLGL-UHFFFAOYSA-N 1 0 394.640 1.939 20 0 GDADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000572126998 651091194 /nfs/dbraw/zinc/09/11/94/651091194.db2.gz TVWYOOZBKMXFNE-SWLSCSKDSA-N 1 0 375.516 1.133 20 0 GDADRO Cn1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2ccc(Cl)s2)n1 ZINC000572480397 651098308 /nfs/dbraw/zinc/09/83/08/651098308.db2.gz LLHXKDIAVGCVLY-GFCCVEGCSA-N 1 0 379.917 1.922 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(Br)cn1 ZINC000572621834 651100564 /nfs/dbraw/zinc/10/05/64/651100564.db2.gz WJFIRWRVONZCIG-UONOGXRCSA-N 1 0 382.283 1.878 20 0 GDADRO CS[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000572656287 651101454 /nfs/dbraw/zinc/10/14/54/651101454.db2.gz YQWRBUNPQZOQCL-CVEARBPZSA-N 1 0 383.539 1.003 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000572665308 651101841 /nfs/dbraw/zinc/10/18/41/651101841.db2.gz NISKKDZADWSVPE-AWEZNQCLSA-N 1 0 390.665 1.224 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc(F)c3Br)C[C@@H]21 ZINC000572694854 651102509 /nfs/dbraw/zinc/10/25/09/651102509.db2.gz PTWXCHSZCIMLRB-PELKAZGASA-N 1 0 388.212 1.828 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c(C)s1 ZINC000572705536 651102994 /nfs/dbraw/zinc/10/29/94/651102994.db2.gz QUZCDFCRKGKTKX-JSGCOSHPSA-N 1 0 388.559 1.555 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000572714080 651103382 /nfs/dbraw/zinc/10/33/82/651103382.db2.gz XSJDRXPSSDGOIU-CQSZACIVSA-N 1 0 378.922 1.525 20 0 GDADRO C[C@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1ncc(Br)cn1 ZINC000572740844 651104629 /nfs/dbraw/zinc/10/46/29/651104629.db2.gz OPQDKVOMMWKGBP-SRVKXCTJSA-N 1 0 386.294 1.397 20 0 GDADRO C[C@H](NC(=O)c1cc(Cl)cc(Br)c1)C(=O)NCC[NH+](C)C ZINC000572780541 651106146 /nfs/dbraw/zinc/10/61/46/651106146.db2.gz NOVXLQWZHYLNPQ-VIFPVBQESA-N 1 0 376.682 1.899 20 0 GDADRO CCCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000573054303 651466490 /nfs/dbraw/zinc/46/64/90/651466490.db2.gz KRYMRAJATJYMSC-CQSZACIVSA-N 1 0 377.576 1.423 20 0 GDADRO COCCn1cc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)cn1 ZINC000573083555 651467182 /nfs/dbraw/zinc/46/71/82/651467182.db2.gz AEFOKPLCJUAAGX-OAHLLOKOSA-N 1 0 384.274 1.822 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1 ZINC000573277539 651474055 /nfs/dbraw/zinc/47/40/55/651474055.db2.gz LNAOKQXFFOLUOK-CQSZACIVSA-N 1 0 385.917 1.515 20 0 GDADRO C[C@H]([NH2+]CCc1cncn1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000573516551 651482179 /nfs/dbraw/zinc/48/21/79/651482179.db2.gz JRKWHXCZCLKGSE-JTQLQIEISA-N 1 0 387.303 1.723 20 0 GDADRO CC(C)COC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000573834952 651498992 /nfs/dbraw/zinc/49/89/92/651498992.db2.gz IYVAOVBBQBLUMC-ZDUSSCGKSA-N 1 0 382.885 1.381 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000573923833 651502021 /nfs/dbraw/zinc/50/20/21/651502021.db2.gz TUDSIRFDPRCXNL-WDEREUQCSA-N 1 0 392.319 1.360 20 0 GDADRO [NH3+]CCc1nc(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)cs1 ZINC000573967355 651505586 /nfs/dbraw/zinc/50/55/86/651505586.db2.gz QTUKHDRPNMRXOL-UHFFFAOYSA-N 1 0 380.495 1.114 20 0 GDADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000574168551 651520309 /nfs/dbraw/zinc/52/03/09/651520309.db2.gz GOGMCZZQSYPFQO-HOCLYGCPSA-N 1 0 379.551 1.965 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000574311193 651531824 /nfs/dbraw/zinc/53/18/24/651531824.db2.gz BKRXIPNNFZENOH-MNOVXSKESA-N 1 0 394.269 1.549 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCCOCC1 ZINC000574313758 651532063 /nfs/dbraw/zinc/53/20/63/651532063.db2.gz ZXJDSBTWKVHEEK-HNNXBMFYSA-N 1 0 389.539 1.803 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000574324291 651532978 /nfs/dbraw/zinc/53/29/78/651532978.db2.gz WPHKEICXEQOMQJ-IUCAKERBSA-N 1 0 376.682 1.961 20 0 GDADRO COc1ccc(Br)cc1CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000574659174 651558131 /nfs/dbraw/zinc/55/81/31/651558131.db2.gz YMEREBRQRHLLCJ-KRWDZBQOSA-N 1 0 383.286 1.573 20 0 GDADRO C[C@@H](C[S@](C)=O)NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000574673472 651558773 /nfs/dbraw/zinc/55/87/73/651558773.db2.gz CBRTYPLOIHKAAL-CANCMXDXSA-N 1 0 387.933 1.113 20 0 GDADRO O[C@@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000575181190 651588427 /nfs/dbraw/zinc/58/84/27/651588427.db2.gz SWEUJDOPQBXPJI-HOCLYGCPSA-N 1 0 392.265 1.705 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCc2c1cccc2Br)[NH+]1CCCC1 ZINC000575370407 651593610 /nfs/dbraw/zinc/59/36/10/651593610.db2.gz LGMMWLDPYBSDLV-LBPRGKRZSA-N 1 0 380.286 1.939 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000576013633 651618309 /nfs/dbraw/zinc/61/83/09/651618309.db2.gz LHGPFAANGYVMDL-OAHLLOKOSA-N 1 0 397.317 1.517 20 0 GDADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(Br)o1 ZINC000576735289 651682433 /nfs/dbraw/zinc/68/24/33/651682433.db2.gz SKAWPMQISMWXIG-UHFFFAOYSA-N 1 0 382.324 1.546 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000576752819 651683765 /nfs/dbraw/zinc/68/37/65/651683765.db2.gz GSVAVQXSJBKVLU-QGZVFWFLSA-N 1 0 385.917 1.611 20 0 GDADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)NCCC[NH2+]C1CC1 ZINC000576826050 651690112 /nfs/dbraw/zinc/69/01/12/651690112.db2.gz PBTIBUMNOHKRHG-UHFFFAOYSA-N 1 0 393.285 1.807 20 0 GDADRO Cc1ccc(O[C@H](C)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(Br)c1 ZINC000576888005 651693795 /nfs/dbraw/zinc/69/37/95/651693795.db2.gz ZJNRHTDEQOEBLK-MBNYWOFBSA-N 1 0 396.285 1.295 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1OC ZINC000576988846 651699658 /nfs/dbraw/zinc/69/96/58/651699658.db2.gz DAZFOUCDSAZABW-GFCCVEGCSA-N 1 0 390.889 1.946 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1Cl ZINC000577100743 651706879 /nfs/dbraw/zinc/70/68/79/651706879.db2.gz DCBPCIDBPPWRAC-ZDUSSCGKSA-N 1 0 381.889 1.536 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000577222622 651716514 /nfs/dbraw/zinc/71/65/14/651716514.db2.gz OSDAFFMVJZQUGN-WDEREUQCSA-N 1 0 375.288 1.419 20 0 GDADRO OC[C@H](CN1CCCCC1)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000577280254 651721824 /nfs/dbraw/zinc/72/18/24/651721824.db2.gz KCEADBYQEVMYAP-JKSUJKDBSA-N 1 0 387.318 1.625 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCSC1 ZINC000577483722 651732003 /nfs/dbraw/zinc/73/20/03/651732003.db2.gz CLOWFCNNANERHD-CYBMUJFWSA-N 1 0 377.553 1.739 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1cc(Cl)ccc1OC(F)F ZINC000577489015 651732325 /nfs/dbraw/zinc/73/23/25/651732325.db2.gz LTLIDWKBJZLLNU-GFCCVEGCSA-N 1 0 375.803 1.816 20 0 GDADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1Cl ZINC000577509244 651734004 /nfs/dbraw/zinc/73/40/04/651734004.db2.gz QHVDVZZBQHZBCD-ONGXEEELSA-N 1 0 378.281 1.234 20 0 GDADRO O=S(=O)(CCC(F)(F)F)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000577595381 651740036 /nfs/dbraw/zinc/74/00/36/651740036.db2.gz UKTFBIDFGWQOFO-LSDHHAIUSA-N 1 0 380.432 1.741 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000577634460 651744543 /nfs/dbraw/zinc/74/45/43/651744543.db2.gz PNXWBQUTNMAMIS-CQSZACIVSA-N 1 0 399.285 1.852 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000577768132 651751595 /nfs/dbraw/zinc/75/15/95/651751595.db2.gz WFBZUYRRIZMXHH-HNNXBMFYSA-N 1 0 391.896 1.748 20 0 GDADRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)c1 ZINC000577842074 651757389 /nfs/dbraw/zinc/75/73/89/651757389.db2.gz HWUXUAHHTWIOOT-INIZCTEOSA-N 1 0 388.555 1.011 20 0 GDADRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000578182226 651778887 /nfs/dbraw/zinc/77/88/87/651778887.db2.gz RIHFPNWSGSUHTR-FZMZJTMJSA-N 1 0 382.258 1.429 20 0 GDADRO OCCOC1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCOCC1 ZINC000578359040 651792526 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[NH3+]CC[C@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C(F)F ZINC000579111474 651838847 /nfs/dbraw/zinc/83/88/47/651838847.db2.gz IZCRGGLBGCMZBP-NWDGAFQWSA-N 1 0 377.844 1.954 20 0 GDADRO Cc1ccc(OCCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(Br)c1 ZINC000579258900 651846952 /nfs/dbraw/zinc/84/69/52/651846952.db2.gz CTRCRCXBKAEZND-GXTWGEPZSA-N 1 0 396.285 1.297 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000579355798 651853181 /nfs/dbraw/zinc/85/31/81/651853181.db2.gz XHYIRLIANXXKGN-KBPBESRZSA-N 1 0 385.917 1.466 20 0 GDADRO O[C@H](C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F)COc1ccccc1Cl ZINC000579465919 651861238 /nfs/dbraw/zinc/86/12/38/651861238.db2.gz WMGBZIFXDPEUSE-DOMZBBRYSA-N 1 0 382.810 1.932 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000579570594 651868261 /nfs/dbraw/zinc/86/82/61/651868261.db2.gz WAMVFAAWNKGPMI-AWEZNQCLSA-N 1 0 388.921 1.402 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000579594666 651870599 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O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(F)ccc1I ZINC000600532467 652544584 /nfs/dbraw/zinc/54/45/84/652544584.db2.gz ISKUQAVIYYOMDX-SNVBAGLBSA-N 1 0 378.185 1.227 20 0 GDADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cccc(I)c1 ZINC000601145933 652563739 /nfs/dbraw/zinc/56/37/39/652563739.db2.gz WFWKLYBHQYFHRT-UWVGGRQHSA-N 1 0 390.221 1.447 20 0 GDADRO Cn1ncc(I)c1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000602174796 652622489 /nfs/dbraw/zinc/62/24/89/652622489.db2.gz URFZARCOVRTUJL-ZJUUUORDSA-N 1 0 376.242 1.483 20 0 GDADRO C[S@@](=O)C1(C(=O)NCC2(N3CCSCC3)CCCCC2)CC[NH2+]CC1 ZINC000602476355 652638947 /nfs/dbraw/zinc/63/89/47/652638947.db2.gz ODWIIKPAAXEIBQ-RUZDIDTESA-N 1 0 387.615 1.355 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc(Br)c(F)c1F ZINC000602495347 652639949 /nfs/dbraw/zinc/63/99/49/652639949.db2.gz YLOGORLSEGCCFD-JTQLQIEISA-N 1 0 377.185 1.704 20 0 GDADRO Cc1nc(NC(=O)[C@@]2(C[NH3+])CCCOC2)ccc1I ZINC000602489675 652639952 /nfs/dbraw/zinc/63/99/52/652639952.db2.gz DGMDLGMUASBTES-CYBMUJFWSA-N 1 0 375.210 1.689 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000602494247 652639962 /nfs/dbraw/zinc/63/99/62/652639962.db2.gz RXRJYUMHCARMGB-NSHDSACASA-N 1 0 379.404 1.544 20 0 GDADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602612218 652643354 /nfs/dbraw/zinc/64/33/54/652643354.db2.gz GZPPOTIFGQPVJQ-NXEZZACHSA-N 1 0 393.303 1.774 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ccncc1Br ZINC000602647151 652644400 /nfs/dbraw/zinc/64/44/00/652644400.db2.gz HVDPQDXJYOIKJZ-UHFFFAOYSA-N 1 0 385.306 1.067 20 0 GDADRO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)NC(=O)NCC(F)(F)F ZINC000602923731 652656719 /nfs/dbraw/zinc/65/67/19/652656719.db2.gz DAAPNADTUJREBG-NSHDSACASA-N 1 0 385.745 1.880 20 0 GDADRO C[C@@H]1OCC[C@@H]1C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602953818 652660957 /nfs/dbraw/zinc/66/09/57/652660957.db2.gz DGFPDJIVPKQXDE-NWDGAFQWSA-N 1 0 388.253 1.628 20 0 GDADRO CCC[C@H](O)C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602955856 652661073 /nfs/dbraw/zinc/66/10/73/652661073.db2.gz LUBOMYOJXLIVPA-LBPRGKRZSA-N 1 0 376.242 1.364 20 0 GDADRO Cn1cncc1CC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602958027 652662143 /nfs/dbraw/zinc/66/21/43/652662143.db2.gz WZAPVOCCVVYKMC-UHFFFAOYSA-N 1 0 398.252 1.179 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(I)ccc1F ZINC000603054270 652674227 /nfs/dbraw/zinc/67/42/27/652674227.db2.gz XAKXQTHIKNUHGQ-LLVKDONJSA-N 1 0 392.212 1.617 20 0 GDADRO C[NH+](C)CCc1cn(CC(=O)Nc2ccccc2I)nn1 ZINC000603169313 652683273 /nfs/dbraw/zinc/68/32/73/652683273.db2.gz OHCSCUASLMPEFD-UHFFFAOYSA-N 1 0 399.236 1.626 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000603389234 652708458 /nfs/dbraw/zinc/70/84/58/652708458.db2.gz AQKMPTYSOZQDAA-RYUDHWBXSA-N 1 0 375.516 1.671 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2ncc(I)s2)cn1 ZINC000603426240 652715009 /nfs/dbraw/zinc/71/50/09/652715009.db2.gz CLLWFRVQNWIPLS-UHFFFAOYSA-N 1 0 391.238 1.758 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ncc(I)s1 ZINC000603436792 652720253 /nfs/dbraw/zinc/72/02/53/652720253.db2.gz DOXBGZFJQAMDBL-VIFPVBQESA-N 1 0 394.282 1.113 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)C[C@H]1C ZINC000607160786 652792363 /nfs/dbraw/zinc/79/23/63/652792363.db2.gz AZFZLTMYMLHVTH-ZIAGYGMSSA-N 1 0 389.543 1.088 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000607366092 652800977 /nfs/dbraw/zinc/80/09/77/652800977.db2.gz QAHCGTMJUBKWPC-UHFFFAOYSA-N 1 0 382.507 1.751 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC[N@@H+]1C ZINC000607689455 652804694 /nfs/dbraw/zinc/80/46/94/652804694.db2.gz YNSYNJRWXBHCAT-ZIAGYGMSSA-N 1 0 385.555 1.674 20 0 GDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CCn1cc(Br)cn1 ZINC000607837259 652806207 /nfs/dbraw/zinc/80/62/07/652806207.db2.gz ZDVWACSDZMMCHD-UHFFFAOYSA-N 1 0 394.273 1.835 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000608515866 652826888 /nfs/dbraw/zinc/82/68/88/652826888.db2.gz QBVIZSIZLPYXGS-SECBINFHSA-N 1 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382.448 1.685 20 0 GDADRO C[C@H](CCNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)[NH+](C)C ZINC000617755684 652976186 /nfs/dbraw/zinc/97/61/86/652976186.db2.gz SMVFGFWGFBZVEP-SECBINFHSA-N 1 0 378.292 1.167 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000618191714 652980439 /nfs/dbraw/zinc/98/04/39/652980439.db2.gz PGTGHOMZDCVKJP-UHFFFAOYSA-N 1 0 375.288 1.486 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2cc[nH]c(=O)c2Br)CCO1 ZINC000620975720 652994797 /nfs/dbraw/zinc/99/47/97/652994797.db2.gz BOUILUXHTIVGQZ-ZDUSSCGKSA-N 1 0 386.290 1.661 20 0 GDADRO COc1cccc([C@H](CNC(=O)c2ccc(S(N)(=O)=O)s2)[NH+](C)C)c1 ZINC000621133880 652995792 /nfs/dbraw/zinc/99/57/92/652995792.db2.gz YLWFABKQHNHKSE-ZDUSSCGKSA-N 1 0 383.495 1.437 20 0 GDADRO CNS(=O)(=O)CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000621264530 652996926 /nfs/dbraw/zinc/99/69/26/652996926.db2.gz GSZOGSQLBZCAED-UHFFFAOYSA-N 1 0 377.304 1.594 20 0 GDADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc3c(cc1Br)NC(=O)CO3)C2 ZINC000621681461 652998817 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COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000631974591 653283023 /nfs/dbraw/zinc/28/30/23/653283023.db2.gz YGZWNYWIHVKEFL-ONGXEEELSA-N 1 0 375.878 1.161 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)C[C@H]3CCCC(F)(F)C3)CC2)C1 ZINC000631976389 653283478 /nfs/dbraw/zinc/28/34/78/653283478.db2.gz USSJDHKUNFQFQU-JKSUJKDBSA-N 1 0 379.517 1.854 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1c(Cl)cccc1OC(F)F ZINC000631986217 653285236 /nfs/dbraw/zinc/28/52/36/653285236.db2.gz UQEHMPGTBLRXLH-UHFFFAOYSA-N 1 0 383.848 1.960 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1cscc1Br ZINC000631987482 653285587 /nfs/dbraw/zinc/28/55/87/653285587.db2.gz HIVLSKWQGMXGRK-UHFFFAOYSA-N 1 0 396.376 1.769 20 0 GDADRO C[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)Oc1cccc(Cl)c1 ZINC000632037665 653294275 /nfs/dbraw/zinc/29/42/75/653294275.db2.gz CJHYXTGFXHIVSH-HNNXBMFYSA-N 1 0 389.949 1.664 20 0 GDADRO CCC1(CC)[C@H](OC)C[C@H]1N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632113223 653308038 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C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cscc1Br ZINC000632500296 653365625 /nfs/dbraw/zinc/36/56/25/653365625.db2.gz SVCPDACREBRPHT-VIFPVBQESA-N 1 0 396.332 1.251 20 0 GDADRO O=S(=O)(c1cscc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000632572834 653377846 /nfs/dbraw/zinc/37/78/46/653377846.db2.gz HYQILPYKLHXWNE-LLVKDONJSA-N 1 0 395.344 1.730 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000632600471 653382573 /nfs/dbraw/zinc/38/25/73/653382573.db2.gz LAXKQBQVCFDSRF-CYBMUJFWSA-N 1 0 392.319 1.579 20 0 GDADRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000632641769 653390437 /nfs/dbraw/zinc/39/04/37/653390437.db2.gz VKKNVJIXHQFWAD-UHFFFAOYSA-N 1 0 378.560 1.234 20 0 GDADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000632659112 653394782 /nfs/dbraw/zinc/39/47/82/653394782.db2.gz WXPLLVVVVLNQEZ-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000633005474 653418839 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CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634949853 653503402 /nfs/dbraw/zinc/50/34/02/653503402.db2.gz BVEZNUPHVPYPOJ-INIZCTEOSA-N 1 0 388.555 1.774 20 0 GDADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc1)N1CCCC1 ZINC000634952737 653503465 /nfs/dbraw/zinc/50/34/65/653503465.db2.gz IBBMGVJAPLFYIJ-MRXNPFEDSA-N 1 0 386.539 1.528 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CCNC(=O)CC2)cc1Br ZINC000634983418 653503691 /nfs/dbraw/zinc/50/36/91/653503691.db2.gz NJJWJNZYDZPAMX-KGLIPLIRSA-N 1 0 385.302 1.867 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000635501934 653520321 /nfs/dbraw/zinc/52/03/21/653520321.db2.gz VEOMOACFQCGNHU-AWEZNQCLSA-N 1 0 387.571 1.779 20 0 GDADRO NS(=O)(=O)c1cc(CN2CCC(C[NH+]3CCOCC3)CC2)ccc1Cl ZINC000637906242 653531890 /nfs/dbraw/zinc/53/18/90/653531890.db2.gz SIUPPSFVJWDBOK-UHFFFAOYSA-N 1 0 387.933 1.532 20 0 GDADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)C1 ZINC000637963785 653533372 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COc1nsc(C[NH2+]CCCN2CCCS2(=O)=O)c1Br ZINC000638572056 653540552 /nfs/dbraw/zinc/54/05/52/653540552.db2.gz GINWLNYUULPOHU-UHFFFAOYSA-N 1 0 384.321 1.429 20 0 GDADRO C[NH2+]CCOCCNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000638581110 653540710 /nfs/dbraw/zinc/54/07/10/653540710.db2.gz KTODLTAWCMKWGE-HNNXBMFYSA-N 1 0 386.290 1.369 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC000638656076 653542131 /nfs/dbraw/zinc/54/21/31/653542131.db2.gz JUKXMCKKZSANLB-JQWIXIFHSA-N 1 0 379.404 1.240 20 0 GDADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)O1 ZINC000638830184 653544695 /nfs/dbraw/zinc/54/46/95/653544695.db2.gz NBBFKCJWJDIVQR-QWHCGFSZSA-N 1 0 382.262 1.217 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)cc1Br ZINC000639072679 653545438 /nfs/dbraw/zinc/54/54/38/653545438.db2.gz YXQJPPNMSASTHP-LLVKDONJSA-N 1 0 385.287 1.398 20 0 GDADRO CN1CCC2(CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)C1=O ZINC000639108679 653546430 /nfs/dbraw/zinc/54/64/30/653546430.db2.gz KKSBOCYCQGQJOK-UHFFFAOYSA-N 1 0 378.274 1.936 20 0 GDADRO CN1CC[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)C[C@@H]1c1ccc(Br)cc1 ZINC000639258058 653548495 /nfs/dbraw/zinc/54/84/95/653548495.db2.gz YKSCUWYHSDBBQB-GVDBMIGSSA-N 1 0 394.317 1.827 20 0 GDADRO NS(=O)(=O)c1cc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000639302223 653549417 /nfs/dbraw/zinc/54/94/17/653549417.db2.gz KMCOYPWCNDOQLD-HNNXBMFYSA-N 1 0 387.933 1.674 20 0 GDADRO COCC[N@@H+]1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)C(C)(C)C1 ZINC000639297162 653549470 /nfs/dbraw/zinc/54/94/70/653549470.db2.gz UAJMWVLODPJLIA-UHFFFAOYSA-N 1 0 375.922 1.530 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639485458 653550912 /nfs/dbraw/zinc/55/09/12/653550912.db2.gz MYBCANRIIHIDFC-ZDUSSCGKSA-N 1 0 397.324 1.747 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CCC(F)(F)CC1 ZINC000639752330 653552426 /nfs/dbraw/zinc/55/24/26/653552426.db2.gz ZLCGJAKSPUZDCY-GFCCVEGCSA-N 1 0 381.489 1.330 20 0 GDADRO CN(Cc1cccs1)C(=O)C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639771169 653552893 /nfs/dbraw/zinc/55/28/93/653552893.db2.gz DWIRFNOYPXOHRB-MRXNPFEDSA-N 1 0 383.583 1.846 20 0 GDADRO OC[C@@H]1CC[C@@H](CO)[NH+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000639783393 653553951 /nfs/dbraw/zinc/55/39/51/653553951.db2.gz TVAYBTJGCONLNK-MELADBBJSA-N 1 0 378.238 1.146 20 0 GDADRO COc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ncc1Br ZINC000639963312 653555321 /nfs/dbraw/zinc/55/53/21/653555321.db2.gz YNTXRNPHDKMIQD-NSHDSACASA-N 1 0 387.278 1.821 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1Br ZINC000640171384 653556737 /nfs/dbraw/zinc/55/67/37/653556737.db2.gz TYNXRUUEWPHSNQ-SNVBAGLBSA-N 1 0 387.282 1.075 20 0 GDADRO [NH3+][C@H](c1cn(CCN2C(=O)CCC2=O)nn1)c1ccc(Br)cc1 ZINC000640951315 653561134 /nfs/dbraw/zinc/56/11/34/653561134.db2.gz LMUAKBOLGXUSOT-HNNXBMFYSA-N 1 0 378.230 1.238 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000641649703 653574048 /nfs/dbraw/zinc/57/40/48/653574048.db2.gz CZNRONYOYAJOSU-UHFFFAOYSA-N 1 0 377.913 1.926 20 0 GDADRO C[N@@H+]1CCCN(CCCNS(=O)(=O)CCc2c(F)cccc2F)CC1 ZINC000641651023 653574245 /nfs/dbraw/zinc/57/42/45/653574245.db2.gz ZDXKDSYGKZRWEY-UHFFFAOYSA-N 1 0 375.485 1.454 20 0 GDADRO CN(C)S(=O)(=O)CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000641953724 653576271 /nfs/dbraw/zinc/57/62/71/653576271.db2.gz STNHCJQZXMVGRB-HIFRSBDPSA-N 1 0 388.559 1.322 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000642015732 653576528 /nfs/dbraw/zinc/57/65/28/653576528.db2.gz XPRROZILJWETNJ-LLVKDONJSA-N 1 0 393.285 1.987 20 0 GDADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccc(Br)cn1 ZINC000642187581 653577485 /nfs/dbraw/zinc/57/74/85/653577485.db2.gz FPPQICMZABSMTA-COPLHBTASA-N 1 0 381.274 1.232 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000642244540 653577943 /nfs/dbraw/zinc/57/79/43/653577943.db2.gz RXBROMAAXDOHSC-UHFFFAOYSA-N 1 0 394.313 1.855 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000642650413 653578993 /nfs/dbraw/zinc/57/89/93/653578993.db2.gz WAONZODRSQNHDS-GFCCVEGCSA-N 1 0 382.302 1.841 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642902484 653579595 /nfs/dbraw/zinc/57/95/95/653579595.db2.gz UBSDODGXVYSQST-AWEZNQCLSA-N 1 0 398.301 1.545 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000642908576 653579683 /nfs/dbraw/zinc/57/96/83/653579683.db2.gz WWBDJVVJZUUPTL-BXUZGUMPSA-N 1 0 383.290 1.315 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000642909394 653579773 /nfs/dbraw/zinc/57/97/73/653579773.db2.gz MBCWFKAPZJBWHW-GXFFZTMASA-N 1 0 375.416 1.785 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000642918770 653579787 /nfs/dbraw/zinc/57/97/87/653579787.db2.gz BMBJAVRIAJIKBR-UHFFFAOYSA-N 1 0 385.295 1.510 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000643471907 653582933 /nfs/dbraw/zinc/58/29/33/653582933.db2.gz PUQDEYDBVWBCMR-DOMZBBRYSA-N 1 0 382.302 1.836 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCc2cc(Br)ccc2C1 ZINC000643542229 653583405 /nfs/dbraw/zinc/58/34/05/653583405.db2.gz CTDPYCUGUDLGPY-BLLLJJGKSA-N 1 0 392.297 1.544 20 0 GDADRO CC1(C)C[NH2+]CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000644075599 653595247 /nfs/dbraw/zinc/59/52/47/653595247.db2.gz CBDDTHZCIMRBMB-UHFFFAOYSA-N 1 0 379.258 1.369 20 0 GDADRO O=C(C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)N1CCCC1 ZINC000644514859 653599069 /nfs/dbraw/zinc/59/90/69/653599069.db2.gz YKHZGEYMLGQVJT-CYBMUJFWSA-N 1 0 375.238 1.540 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000644537237 653599191 /nfs/dbraw/zinc/59/91/91/653599191.db2.gz TXIATGINAIUWMM-AWEZNQCLSA-N 1 0 380.432 1.624 20 0 GDADRO O=C1CCC(=O)N1CCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644547855 653599267 /nfs/dbraw/zinc/59/92/67/653599267.db2.gz CKLICDDNHHSLCP-NSHDSACASA-N 1 0 375.252 1.862 20 0 GDADRO CC(C)(C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)NS(C)(=O)=O ZINC000644557290 653599292 /nfs/dbraw/zinc/59/92/92/653599292.db2.gz AXENULGSNHTRKT-UHFFFAOYSA-N 1 0 381.420 1.951 20 0 GDADRO CCN1CC[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1=O ZINC000644642248 653599874 /nfs/dbraw/zinc/59/98/74/653599874.db2.gz CZCJMFIPLPYTCH-TZMCWYRMSA-N 1 0 375.238 1.538 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000644814961 653600533 /nfs/dbraw/zinc/60/05/33/653600533.db2.gz NKLZLYYOUNMCBL-HZMBPMFUSA-N 1 0 380.246 1.458 20 0 GDADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3nc4cc(Br)ccn4n3)[C@@H]2C1 ZINC000645011439 653601184 /nfs/dbraw/zinc/60/11/84/653601184.db2.gz DUAJJVKKFMWMLX-CMPLNLGQSA-N 1 0 379.262 2.050 20 0 GDADRO CCCN(C(=O)NCCNS(=O)(=O)c1ccc(C)s1)[C@@H]1CC[N@H+](C)C1 ZINC000645379466 653602410 /nfs/dbraw/zinc/60/24/10/653602410.db2.gz FNQINFJMOMWGMM-CQSZACIVSA-N 1 0 388.559 1.461 20 0 GDADRO CN(C(=O)c1nn(C)cc1Br)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645397937 653602522 /nfs/dbraw/zinc/60/25/22/653602522.db2.gz ASJJULMFOVXNMM-ZDUSSCGKSA-N 1 0 384.322 1.423 20 0 GDADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCC[C@H]2CS(N)(=O)=O)[C@H](C(F)(F)F)C1 ZINC000645418392 653602568 /nfs/dbraw/zinc/60/25/68/653602568.db2.gz DFJHPUBWRCHJBD-QJPTWQEYSA-N 1 0 385.452 1.175 20 0 GDADRO COc1ncc(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1Cl ZINC000645566246 653604224 /nfs/dbraw/zinc/60/42/24/653604224.db2.gz XVZMCMXZJBMZHF-OAHLLOKOSA-N 1 0 390.937 1.294 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)N3CCc4cc(Br)cc(F)c43)[C@H]2C1 ZINC000645617736 653604794 /nfs/dbraw/zinc/60/47/94/653604794.db2.gz CWBVEHZCOCKQAQ-RISCZKNCSA-N 1 0 396.260 1.640 20 0 GDADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1Br ZINC000645625263 653604906 /nfs/dbraw/zinc/60/49/06/653604906.db2.gz MVUYCGNRESPDSI-ZYHUDNBSSA-N 1 0 384.249 1.998 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c(F)cc1Br ZINC000645625682 653605003 /nfs/dbraw/zinc/60/50/03/653605003.db2.gz SQWFNZDNTLEEDW-IINYFYTJSA-N 1 0 384.249 1.998 20 0 GDADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000645713822 653606096 /nfs/dbraw/zinc/60/60/96/653606096.db2.gz PVNFKXFSKAQPFM-GOSISDBHSA-N 1 0 376.563 1.956 20 0 GDADRO C[C@]([NH3+])(C(=O)N1CCC[C@@H](N2CCNC2=O)C1)c1ccc(Br)cc1 ZINC000645761630 653606501 /nfs/dbraw/zinc/60/65/01/653606501.db2.gz IXTZJDLGERQUKW-RHSMWYFYSA-N 1 0 395.301 1.639 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000646253439 653609284 /nfs/dbraw/zinc/60/92/84/653609284.db2.gz MMTDMOLMXPJJIC-LBPRGKRZSA-N 1 0 383.239 1.381 20 0 GDADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000646460962 653610345 /nfs/dbraw/zinc/61/03/45/653610345.db2.gz MMYWAFAULFDCSP-CQSZACIVSA-N 1 0 396.329 1.922 20 0 GDADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000646484221 653610452 /nfs/dbraw/zinc/61/04/52/653610452.db2.gz OGMIKYFNYIVIIY-NHYWBVRUSA-N 1 0 375.441 1.184 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000646526020 653610621 /nfs/dbraw/zinc/61/06/21/653610621.db2.gz FXFVDJQQVAHHKT-ZDUSSCGKSA-N 1 0 393.278 1.235 20 0 GDADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000646603473 653611440 /nfs/dbraw/zinc/61/14/40/653611440.db2.gz NCAFACMWAWRTGT-AAEUAGOBSA-N 1 0 383.495 1.240 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CCO1 ZINC000646851568 653615076 /nfs/dbraw/zinc/61/50/76/653615076.db2.gz XMOAMDKEOHTCSJ-JQWIXIFHSA-N 1 0 381.885 1.859 20 0 GDADRO CN1C[C@H]2CCN(C(=O)CS(=O)(=O)c3cccc(Br)c3)[C@H]2C1 ZINC000646933454 653616760 /nfs/dbraw/zinc/61/67/60/653616760.db2.gz CQSLUWVSGYPWJA-RISCZKNCSA-N 1 0 387.299 1.385 20 0 GDADRO O=C(CCN1C(=O)COc2cc(Br)ccc21)N[C@H]1CCC[NH2+]CC1 ZINC000646984976 653618629 /nfs/dbraw/zinc/61/86/29/653618629.db2.gz HJSDUXMNGSVYJK-ZDUSSCGKSA-N 1 0 396.285 1.823 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C(F)F ZINC000647071401 653619965 /nfs/dbraw/zinc/61/99/65/653619965.db2.gz ZOALTAKBRRDYGO-NWDGAFQWSA-N 1 0 390.228 1.901 20 0 GDADRO C[C@H](CC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)n1cc(Br)cn1 ZINC000647079587 653620076 /nfs/dbraw/zinc/62/00/76/653620076.db2.gz NPUHSCYWQZJFLK-OLZOCXBDSA-N 1 0 385.306 1.811 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647190724 653622921 /nfs/dbraw/zinc/62/29/21/653622921.db2.gz MCVWJAKKVIODKZ-UHFFFAOYSA-N 1 0 386.539 1.775 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000647200962 653623079 /nfs/dbraw/zinc/62/30/79/653623079.db2.gz RDITWWCZVMHVGZ-OAHLLOKOSA-N 1 0 389.543 1.649 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH2+]CC2(C)C)c1 ZINC000647228497 653623513 /nfs/dbraw/zinc/62/35/13/653623513.db2.gz AIDBIDYEMHSLOO-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO CCOc1ccc(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000647233990 653623924 /nfs/dbraw/zinc/62/39/24/653623924.db2.gz IUCRSZOIHJDNSR-YGRLFVJLSA-N 1 0 393.303 1.585 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647234826 653624107 /nfs/dbraw/zinc/62/41/07/653624107.db2.gz BSLORLZUYHLVJX-PELKAZGASA-N 1 0 397.266 1.334 20 0 GDADRO O=S(=O)(c1ccc2c(c1)S(=O)(=O)CC2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238522 653624240 /nfs/dbraw/zinc/62/42/40/653624240.db2.gz NWTYZBZFDMGWDK-GOEBONIOSA-N 1 0 384.523 1.169 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cnc2c1Cl ZINC000647238125 653624276 /nfs/dbraw/zinc/62/42/76/653624276.db2.gz FMGRTMLHSPJLJO-JSGCOSHPSA-N 1 0 383.905 1.844 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1F ZINC000647254419 653624350 /nfs/dbraw/zinc/62/43/50/653624350.db2.gz LNUWIPHRCRVOPE-UHFFFAOYSA-N 1 0 393.506 1.479 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647263831 653624612 /nfs/dbraw/zinc/62/46/12/653624612.db2.gz DPYOCCWTKSOEJF-SMDDNHRTSA-N 1 0 392.930 1.257 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000647293669 653625344 /nfs/dbraw/zinc/62/53/44/653625344.db2.gz VARLGBVNMJWSHZ-HRCADAONSA-N 1 0 375.510 1.129 20 0 GDADRO O=C(c1cccc(Cl)c1)N1CCC[C@@H](S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000647302384 653625716 /nfs/dbraw/zinc/62/57/16/653625716.db2.gz WBJGIHFZGOPMEI-WCVJEAGWSA-N 1 0 383.901 1.082 20 0 GDADRO COc1cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c(OC)cc1Br ZINC000647304638 653625745 /nfs/dbraw/zinc/62/57/45/653625745.db2.gz YWIQRFKBINTYEK-IUCAKERBSA-N 1 0 397.266 1.445 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000647316413 653625976 /nfs/dbraw/zinc/62/59/76/653625976.db2.gz HKRHIVWTVQXLJM-BXKDBHETSA-N 1 0 390.303 1.344 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2)cc1 ZINC000647343400 653626574 /nfs/dbraw/zinc/62/65/74/653626574.db2.gz OYSYLFQKUKPQCT-UHFFFAOYSA-N 1 0 382.507 1.808 20 0 GDADRO OCCOC1(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000647530449 653628285 /nfs/dbraw/zinc/62/82/85/653628285.db2.gz MZKGBVJCNTWVPQ-ZDUSSCGKSA-N 1 0 394.295 1.881 20 0 GDADRO CSc1ccc([C@@H](CNC(=O)[C@H]2CCCN2S(C)(=O)=O)[NH+](C)C)cc1 ZINC000647580771 653629118 /nfs/dbraw/zinc/62/91/18/653629118.db2.gz LJVIJUJRYQKQDN-HZPDHXFCSA-N 1 0 385.555 1.551 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000647624945 653631106 /nfs/dbraw/zinc/63/11/06/653631106.db2.gz RBBKSMFCNLNXLC-INIZCTEOSA-N 1 0 385.306 1.439 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCC[NH2+]C1CC1 ZINC000647755939 653633573 /nfs/dbraw/zinc/63/35/73/653633573.db2.gz QOWYCROSRQOSLY-SNVBAGLBSA-N 1 0 379.404 1.240 20 0 GDADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000647833423 653635803 /nfs/dbraw/zinc/63/58/03/653635803.db2.gz NFWPDNKXZRHHFM-YGRLFVJLSA-N 1 0 394.269 1.596 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN(C)CCC[NH3+] ZINC000647848944 653636078 /nfs/dbraw/zinc/63/60/78/653636078.db2.gz ASRDEHIASHGGAI-UHFFFAOYSA-N 1 0 385.306 1.435 20 0 GDADRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000648073149 653638266 /nfs/dbraw/zinc/63/82/66/653638266.db2.gz CTEOAXMFJXFECH-CQSZACIVSA-N 1 0 379.404 1.559 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000648122428 653639356 /nfs/dbraw/zinc/63/93/56/653639356.db2.gz XUOFCOZMKHTXMV-NWDGAFQWSA-N 1 0 375.288 1.609 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)CC[NH3+] ZINC000648179465 653640666 /nfs/dbraw/zinc/64/06/66/653640666.db2.gz YGHLWIPMRIPFDZ-SNVBAGLBSA-N 1 0 381.420 1.616 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000648183472 653640866 /nfs/dbraw/zinc/64/08/66/653640866.db2.gz HAKXSGXEYCCEGZ-ZIAGYGMSSA-N 1 0 383.539 1.692 20 0 GDADRO C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000648714012 653653138 /nfs/dbraw/zinc/65/31/38/653653138.db2.gz NLMBGTFKPGKCDP-CZUORRHYSA-N 1 0 385.917 1.513 20 0 GDADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649075017 653663643 /nfs/dbraw/zinc/66/36/43/653663643.db2.gz UTZGIOQEAFHIHY-QWHCGFSZSA-N 1 0 398.301 1.795 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)c1ccc(Br)cc1 ZINC000649075735 653663866 /nfs/dbraw/zinc/66/38/66/653663866.db2.gz JFYDARMCUNWMMN-LLVKDONJSA-N 1 0 382.258 1.210 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c2ncccc12 ZINC000649824333 653675507 /nfs/dbraw/zinc/67/55/07/653675507.db2.gz QXEYGESLLPVACL-QGZVFWFLSA-N 1 0 381.523 1.959 20 0 GDADRO CN(CC[NH+]1CCCCC1)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000650236264 653688773 /nfs/dbraw/zinc/68/87/73/653688773.db2.gz KERCWYNYNWNFLI-UHFFFAOYSA-N 1 0 381.278 2.441 20 0 GDADRO C[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1cccc(Br)c1 ZINC000650309234 653691544 /nfs/dbraw/zinc/69/15/44/653691544.db2.gz KWLSTGCUHXVSPN-CYBMUJFWSA-N 1 0 382.302 1.785 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000650321767 653691755 /nfs/dbraw/zinc/69/17/55/653691755.db2.gz PBLMLRWVSVEFNM-YGRLFVJLSA-N 1 0 392.308 1.434 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1=O ZINC000651793351 653856643 /nfs/dbraw/zinc/85/66/43/653856643.db2.gz JDKCRACTPAYKDQ-UHFFFAOYSA-N 1 0 380.297 1.388 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1=O ZINC000651792698 653856672 /nfs/dbraw/zinc/85/66/72/653856672.db2.gz CHFXLQNPEGVRFM-UHFFFAOYSA-N 1 0 394.324 1.529 20 0 GDADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651793410 653856789 /nfs/dbraw/zinc/85/67/89/653856789.db2.gz NIHVHSKTMTZNAN-UHFFFAOYSA-N 1 0 387.933 1.858 20 0 GDADRO O[C@@H]1CC[N@@H+](C2CN(Cc3cn(-c4ccccc4Br)nn3)C2)C1 ZINC000651977680 653875107 /nfs/dbraw/zinc/87/51/07/653875107.db2.gz WOHBGUBLEIFJLS-CQSZACIVSA-N 1 0 378.274 1.281 20 0 GDADRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000652050232 653880181 /nfs/dbraw/zinc/88/01/81/653880181.db2.gz ZJGHIQXVHNJWNQ-CQSZACIVSA-N 1 0 381.885 1.853 20 0 GDADRO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000652262156 653886849 /nfs/dbraw/zinc/88/68/49/653886849.db2.gz QMFCKZHUENWHCU-YGRLFVJLSA-N 1 0 393.303 1.289 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652377419 653889836 /nfs/dbraw/zinc/88/98/36/653889836.db2.gz GVVSVSXFPVPZFZ-DZGCQCFKSA-N 1 0 388.555 1.845 20 0 GDADRO O=C(c1nscc1Br)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000652421422 653890477 /nfs/dbraw/zinc/89/04/77/653890477.db2.gz UHLOGKHDBFOVOR-JTQLQIEISA-N 1 0 387.303 1.332 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652632619 653894414 /nfs/dbraw/zinc/89/44/14/653894414.db2.gz XLDWKBHTGKKQLK-ZBEGNZNMSA-N 1 0 381.274 1.678 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)C[C@H]1C[NH3+] ZINC000652636912 653894660 /nfs/dbraw/zinc/89/46/60/653894660.db2.gz CPLHAWXFJKGXRG-TZMCWYRMSA-N 1 0 398.301 1.827 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000652636175 653894674 /nfs/dbraw/zinc/89/46/74/653894674.db2.gz ZBKMGIDZUVEQNY-PRHODGIISA-N 1 0 378.231 1.893 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000652674207 653896393 /nfs/dbraw/zinc/89/63/93/653896393.db2.gz POYOESNQUNDBQT-ZDUSSCGKSA-N 1 0 396.285 1.634 20 0 GDADRO O=C(NCCc1ccc(Br)s1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652675620 653896406 /nfs/dbraw/zinc/89/64/06/653896406.db2.gz AUWNEVICXUDXPB-UHFFFAOYSA-N 1 0 388.331 1.675 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCCC1CC[NH2+]CC1 ZINC000653268812 653909531 /nfs/dbraw/zinc/90/95/31/653909531.db2.gz AZDGHTFVMCNJRU-UHFFFAOYSA-N 1 0 394.269 1.551 20 0 GDADRO O=C(Nc1cnc2c(Br)cccn12)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654084261 653927951 /nfs/dbraw/zinc/92/79/51/653927951.db2.gz MMKLWYCSLYOSIR-WDEREUQCSA-N 1 0 380.246 1.380 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654577599 653941689 /nfs/dbraw/zinc/94/16/89/653941689.db2.gz VHSFFUUUKVDXRS-HUUCEWRRSA-N 1 0 397.317 1.927 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)C1 ZINC000654974545 653953115 /nfs/dbraw/zinc/95/31/15/653953115.db2.gz HVZKGCPAYPLTGN-LRDDRELGSA-N 1 0 380.286 1.790 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)C1 ZINC000654974544 653953184 /nfs/dbraw/zinc/95/31/84/653953184.db2.gz HVZKGCPAYPLTGN-BLLLJJGKSA-N 1 0 380.286 1.790 20 0 GDADRO Cn1cc(Br)c(CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)n1 ZINC000654994834 653954172 /nfs/dbraw/zinc/95/41/72/653954172.db2.gz FJGHCJPLNAMULI-UHFFFAOYSA-N 1 0 387.326 1.008 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCCNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000655054059 653956546 /nfs/dbraw/zinc/95/65/46/653956546.db2.gz PPGSLBXBZWGUCO-NSHDSACASA-N 1 0 377.869 1.215 20 0 GDADRO COc1c(Br)ccc(C)c1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000655074324 653957490 /nfs/dbraw/zinc/95/74/90/653957490.db2.gz PYNOVAPKIODJRV-QGZVFWFLSA-N 1 0 383.286 1.953 20 0 GDADRO CCC(C)(C)[NH+]1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000655273667 653962461 /nfs/dbraw/zinc/96/24/61/653962461.db2.gz JZLWJRYILOFJAQ-UHFFFAOYSA-N 1 0 381.278 1.833 20 0 GDADRO CO[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000655462418 653969927 /nfs/dbraw/zinc/96/99/27/653969927.db2.gz NWEQXRDIGBAVKT-CJNGLKHVSA-N 1 0 382.302 1.643 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1Cl ZINC000655499903 653971148 /nfs/dbraw/zinc/97/11/48/653971148.db2.gz GNOLEEZZSZRIEW-UHFFFAOYSA-N 1 0 385.917 1.577 20 0 GDADRO [NH3+]C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C(F)(F)F ZINC000655509073 653972584 /nfs/dbraw/zinc/97/25/84/653972584.db2.gz IZTLCBWOEWKGRT-KWQFWETISA-N 1 0 394.191 1.808 20 0 GDADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C(F)(F)F ZINC000655509054 653972706 /nfs/dbraw/zinc/97/27/06/653972706.db2.gz IMHWBPBQOKGSKI-LDYMZIIASA-N 1 0 394.191 1.808 20 0 GDADRO [NH3+]C[C@@H](NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C(F)(F)F ZINC000655519240 653973582 /nfs/dbraw/zinc/97/35/82/653973582.db2.gz QOTRNWQFLZTPKC-MRVPVSSYSA-N 1 0 394.202 1.278 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1Br ZINC000655957229 653996231 /nfs/dbraw/zinc/99/62/31/653996231.db2.gz SGLMWZWRIBOIMZ-SNVBAGLBSA-N 1 0 398.179 1.792 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655957566 653996349 /nfs/dbraw/zinc/99/63/49/653996349.db2.gz CAZTYDUMBYPQER-SECBINFHSA-N 1 0 384.152 1.402 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ncc(Br)cn1 ZINC000655962364 653996791 /nfs/dbraw/zinc/99/67/91/653996791.db2.gz SGWNHLQBVSIMAS-UBHSHLNASA-N 1 0 398.305 1.541 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000656024553 654000079 /nfs/dbraw/zinc/00/00/79/654000079.db2.gz RMMWYYPCPVIJND-UHFFFAOYSA-N 1 0 382.302 1.880 20 0 GDADRO O=C(NCCCc1c(Cl)cccc1Cl)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000656025312 654000451 /nfs/dbraw/zinc/00/04/51/654000451.db2.gz GSLALFFDJOVQDW-LBPRGKRZSA-N 1 0 388.295 1.537 20 0 GDADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)CC1 ZINC000656870432 654059503 /nfs/dbraw/zinc/05/95/03/654059503.db2.gz QTQCKGRJMCRKFD-UHFFFAOYSA-N 1 0 385.555 1.758 20 0 GDADRO CO[C@H](CS(=O)(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000656919975 654072481 /nfs/dbraw/zinc/07/24/81/654072481.db2.gz VVWBJNDUKQTURG-QZTJIDSGSA-N 1 0 375.579 1.383 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000656966454 654079944 /nfs/dbraw/zinc/07/99/44/654079944.db2.gz SVMUUWYRODMSOK-UHFFFAOYSA-N 1 0 396.738 1.628 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCNC1=O ZINC000657276930 654148757 /nfs/dbraw/zinc/14/87/57/654148757.db2.gz VUJVJRLTXCLORS-NWDGAFQWSA-N 1 0 398.301 1.578 20 0 GDADRO Cc1c(Br)cncc1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000657459068 654150057 /nfs/dbraw/zinc/15/00/57/654150057.db2.gz OWAOEVWVTLIOGR-FZMZJTMJSA-N 1 0 376.320 1.960 20 0 GDADRO COc1ncc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)c(C)c1Br ZINC000657656186 654153389 /nfs/dbraw/zinc/15/33/89/654153389.db2.gz NDGNSUSHXDJJKE-UHFFFAOYSA-N 1 0 399.289 1.558 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F)C[NH+](C)C ZINC000657968302 654173790 /nfs/dbraw/zinc/17/37/90/654173790.db2.gz WFPNFPYZUIIEDE-QMMMGPOBSA-N 1 0 378.217 1.980 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(Br)c3F)C[C@@H]21 ZINC000657991871 654176023 /nfs/dbraw/zinc/17/60/23/654176023.db2.gz ZHBCSCABKUQXNV-KCJUWKMLSA-N 1 0 388.212 1.828 20 0 GDADRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000658298177 654183554 /nfs/dbraw/zinc/18/35/54/654183554.db2.gz DIQISNKRCKJIHN-LBPRGKRZSA-N 1 0 375.512 1.717 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2C1 ZINC000658383832 654187907 /nfs/dbraw/zinc/18/79/07/654187907.db2.gz OJOCYEVNQCITMA-YOEHRIQHSA-N 1 0 383.539 1.402 20 0 GDADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000658386934 654188400 /nfs/dbraw/zinc/18/84/00/654188400.db2.gz DPWRPWHLAKPHPP-CYBMUJFWSA-N 1 0 385.917 1.839 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000658386958 654188495 /nfs/dbraw/zinc/18/84/95/654188495.db2.gz FDGKGHQDLZLXBM-OAHLLOKOSA-N 1 0 385.555 1.785 20 0 GDADRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000658387807 654189046 /nfs/dbraw/zinc/18/90/46/654189046.db2.gz FFCBTEGNYUBXAU-UHFFFAOYSA-N 1 0 392.275 1.138 20 0 GDADRO O=c1[nH]c2cc(Br)c(S(=O)(=O)NCC34CC(C3)C[NH2+]4)cc2[nH]1 ZINC000658404930 654190108 /nfs/dbraw/zinc/19/01/08/654190108.db2.gz YWRWXSBPSKWPIG-UHFFFAOYSA-N 1 0 387.259 1.061 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(F)c1 ZINC000658402474 654190229 /nfs/dbraw/zinc/19/02/29/654190229.db2.gz PDKXEPHWBLJUJX-LBPRGKRZSA-N 1 0 391.490 1.150 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1Br ZINC000658408399 654191221 /nfs/dbraw/zinc/19/12/21/654191221.db2.gz RAYXHZOHVDBJTC-NXEZZACHSA-N 1 0 397.266 1.526 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000659074542 654215163 /nfs/dbraw/zinc/21/51/63/654215163.db2.gz LSICQAWEZLWKIZ-UHFFFAOYSA-N 1 0 378.654 1.775 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1(C(F)(F)F)CCOCC1 ZINC000659310841 654222048 /nfs/dbraw/zinc/22/20/48/654222048.db2.gz DVHZEHRNGBLQEE-JTQLQIEISA-N 1 0 377.329 1.298 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659444738 654227021 /nfs/dbraw/zinc/22/70/21/654227021.db2.gz JBPJQIFIXVWRLX-UHFFFAOYSA-N 1 0 396.245 1.411 20 0 GDADRO C[C@@H]1CN(CC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)C[C@H](C)O1 ZINC000659818650 654234044 /nfs/dbraw/zinc/23/40/44/654234044.db2.gz SWMJPTKRFAIZKM-GASCZTMLSA-N 1 0 387.571 1.600 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000660409775 654249386 /nfs/dbraw/zinc/24/93/86/654249386.db2.gz YXLFCFVZFJSJMQ-OKZBNKHCSA-N 1 0 375.579 1.337 20 0 GDADRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000660536277 654253786 /nfs/dbraw/zinc/25/37/86/654253786.db2.gz PCSCPRHMHVPQRM-CJNGLKHVSA-N 1 0 383.539 1.845 20 0 GDADRO CC(C)N(CCCNC(=O)C[NH2+][C@H](C)C1CCC(F)CC1)S(C)(=O)=O ZINC000662005901 654285678 /nfs/dbraw/zinc/28/56/78/654285678.db2.gz PFQQHDSUPOCUSD-QQFBHYJXSA-N 1 0 379.542 1.669 20 0 GDADRO O=C(CNC1(CO)CC[NH2+]CC1)Nc1c(F)cc(F)cc1Br ZINC000662285381 654292062 /nfs/dbraw/zinc/29/20/62/654292062.db2.gz FHVPIPGJKZQERW-UHFFFAOYSA-N 1 0 378.217 1.370 20 0 GDADRO O=C(CCN1CCOC[C@@H]1c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000662310838 654292542 /nfs/dbraw/zinc/29/25/42/654292542.db2.gz NUCRTBOEHWZXJD-MRXNPFEDSA-N 1 0 382.302 1.644 20 0 GDADRO CC[C@@H]([NH2+]C)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000662458110 654293552 /nfs/dbraw/zinc/29/35/52/654293552.db2.gz VNDSEVKQOBNICC-OAHLLOKOSA-N 1 0 398.301 1.497 20 0 GDADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000662483059 654296563 /nfs/dbraw/zinc/29/65/63/654296563.db2.gz IEXLSRDOLNUURK-SMDDNHRTSA-N 1 0 386.279 1.642 20 0 GDADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000662623019 654298467 /nfs/dbraw/zinc/29/84/67/654298467.db2.gz WLTUXNGOGINNEZ-CYBMUJFWSA-N 1 0 385.306 1.714 20 0 GDADRO [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000662684138 654300190 /nfs/dbraw/zinc/30/01/90/654300190.db2.gz AUFAHKQYGKCSQG-NQBHXWOUSA-N 1 0 381.274 1.759 20 0 GDADRO Cc1cc(S(N)(=O)=O)oc1C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000662773466 654302470 /nfs/dbraw/zinc/30/24/70/654302470.db2.gz LNWXBBOEAIDCGN-CYBMUJFWSA-N 1 0 383.857 1.676 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)nn1C ZINC000662834950 654304370 /nfs/dbraw/zinc/30/43/70/654304370.db2.gz DOHDYXVCDZRVRM-UHFFFAOYSA-N 1 0 385.877 1.148 20 0 GDADRO C[C@@]1(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]C1 ZINC000663015551 654318713 /nfs/dbraw/zinc/31/87/13/654318713.db2.gz VVWXEWUDHQSSOA-CYBMUJFWSA-N 1 0 399.822 1.505 20 0 GDADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000663311039 654332597 /nfs/dbraw/zinc/33/25/97/654332597.db2.gz LAYOAZKZOAADMK-QMMMGPOBSA-N 1 0 381.298 1.533 20 0 GDADRO CCN(CC)C(=O)c1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000663312240 654332903 /nfs/dbraw/zinc/33/29/03/654332903.db2.gz WETWICBBAXYJPK-CYBMUJFWSA-N 1 0 381.420 1.679 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000663311924 654332924 /nfs/dbraw/zinc/33/29/24/654332924.db2.gz RYKPAWPROAMXNK-LBPRGKRZSA-N 1 0 388.433 1.217 20 0 GDADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663494822 654339102 /nfs/dbraw/zinc/33/91/02/654339102.db2.gz XLEYLWUNYVGNDQ-LBPRGKRZSA-N 1 0 384.263 1.547 20 0 GDADRO C[C@@]1(NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC[NH2+]C1 ZINC000663594374 654344607 /nfs/dbraw/zinc/34/46/07/654344607.db2.gz WYPXTOPIMSRFTH-OAHLLOKOSA-N 1 0 384.278 1.554 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663604814 654345556 /nfs/dbraw/zinc/34/55/56/654345556.db2.gz NIXYEZGSNJCLGG-VIFPVBQESA-N 1 0 381.738 1.282 20 0 GDADRO Cc1nc(C)c(Br)c(Sc2nnnn2C[C@H]2CC[N@@H+](C)C2)n1 ZINC000663724644 654350958 /nfs/dbraw/zinc/35/09/58/654350958.db2.gz HSFPCHOUNGUWKI-JTQLQIEISA-N 1 0 384.307 1.945 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C[C@@H]1O ZINC000663786022 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20 0 GDADRO C[C@@H](CC(=O)N1CCC[C@H]([NH+](C)C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000731896852 654451868 /nfs/dbraw/zinc/45/18/68/654451868.db2.gz LLGOYGQZCCIIOF-STQMWFEESA-N 1 0 388.921 1.345 20 0 GDADRO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCc2cc(Br)cc(F)c21 ZINC000667535174 654453648 /nfs/dbraw/zinc/45/36/48/654453648.db2.gz AXSAWQGOLVLPBY-QMTHXVAHSA-N 1 0 396.260 1.688 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(Br)c1 ZINC000667535568 654454067 /nfs/dbraw/zinc/45/40/67/654454067.db2.gz MOYRUIMBNXDZQE-HZMBPMFUSA-N 1 0 382.258 1.607 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CC[C@H]1[NH3+] ZINC000667549024 654455069 /nfs/dbraw/zinc/45/50/69/654455069.db2.gz ZWIUWWAXIUSTRV-BXUZGUMPSA-N 1 0 380.286 1.924 20 0 GDADRO Cn1c(Cl)ncc1S(=O)(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000769406473 654461093 /nfs/dbraw/zinc/46/10/93/654461093.db2.gz QQKAIUNHZIPXCB-UHFFFAOYSA-N 1 0 386.905 1.883 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000732205130 654463254 /nfs/dbraw/zinc/46/32/54/654463254.db2.gz BPSXHVPMVZVQRV-CQSZACIVSA-N 1 0 375.535 1.647 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000668395802 654480987 /nfs/dbraw/zinc/48/09/87/654480987.db2.gz QYIFOBLDIYPHRI-GFCCVEGCSA-N 1 0 398.301 1.586 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cn2ccc(Br)cc2n1 ZINC000668557469 654484927 /nfs/dbraw/zinc/48/49/27/654484927.db2.gz IWKZVHFZBREESU-UHFFFAOYSA-N 1 0 382.306 1.549 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000668582312 654486289 /nfs/dbraw/zinc/48/62/89/654486289.db2.gz VDNRTJCVIJPYFD-GFCCVEGCSA-N 1 0 384.274 1.196 20 0 GDADRO CN(C(=O)c1cc(Br)ccc1-n1cnnn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668599838 654487138 /nfs/dbraw/zinc/48/71/38/654487138.db2.gz YZBIEKYREZSSFM-CYBMUJFWSA-N 1 0 391.273 1.734 20 0 GDADRO COC1CC[NH+](C2(CNS(=O)(=O)c3cn(C)c(Cl)n3)CCCC2)CC1 ZINC000769897172 654490576 /nfs/dbraw/zinc/49/05/76/654490576.db2.gz IVLMOCSJBBGWGE-UHFFFAOYSA-N 1 0 390.937 1.775 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)s1 ZINC000668943243 654495297 /nfs/dbraw/zinc/49/52/97/654495297.db2.gz GANKZTJKYBTUJO-CYBMUJFWSA-N 1 0 388.559 1.720 20 0 GDADRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccsc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000669938426 654515355 /nfs/dbraw/zinc/51/53/55/654515355.db2.gz NNHBMCVVCRBXRM-OCCSQVGLSA-N 1 0 382.511 1.902 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671101916 654531525 /nfs/dbraw/zinc/53/15/25/654531525.db2.gz TVWPFNIHYRSJHY-NEPJUHHUSA-N 1 0 386.315 1.870 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000671118067 654531997 /nfs/dbraw/zinc/53/19/97/654531997.db2.gz YMKZGGOCSIZIHG-SWLSCSKDSA-N 1 0 398.301 1.369 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000671350684 654534332 /nfs/dbraw/zinc/53/43/32/654534332.db2.gz ZFDUARBVVYKNHH-WFASDCNBSA-N 1 0 382.302 1.707 20 0 GDADRO CC[NH+](CC)CCN(C(=S)NC(C1CC1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000734754450 654539563 /nfs/dbraw/zinc/53/95/63/654539563.db2.gz BJIHQYOOZNVNEE-INIZCTEOSA-N 1 0 387.615 1.880 20 0 GDADRO COCC[C@@](C)(O)C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000734846946 654541813 /nfs/dbraw/zinc/54/18/13/654541813.db2.gz WFMMPFJKVAJALN-SWLSCSKDSA-N 1 0 379.910 1.082 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000671813663 654544564 /nfs/dbraw/zinc/54/45/64/654544564.db2.gz VTHQLNVKHQAMBN-UHFFFAOYSA-N 1 0 376.284 1.347 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000671824329 654545034 /nfs/dbraw/zinc/54/50/34/654545034.db2.gz GWRYYRADCQYJJX-GFCCVEGCSA-N 1 0 388.693 1.929 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)Oc1ccc(Br)cc1 ZINC000673249072 654571999 /nfs/dbraw/zinc/57/19/99/654571999.db2.gz LNKYCAPUSOXWFN-OCCSQVGLSA-N 1 0 398.301 1.543 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673516561 654575639 /nfs/dbraw/zinc/57/56/39/654575639.db2.gz VQJWZQQFHOGROF-LSDHHAIUSA-N 1 0 383.286 1.668 20 0 GDADRO COc1cc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)sc1Br ZINC000673543362 654577510 /nfs/dbraw/zinc/57/75/10/654577510.db2.gz IUJWVOJJVXPNFS-MRVPVSSYSA-N 1 0 378.292 1.315 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000674191965 654595321 /nfs/dbraw/zinc/59/53/21/654595321.db2.gz KNQPAVJQCAHRBH-GFCCVEGCSA-N 1 0 384.274 1.915 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cnc(Br)cc2C)CC1 ZINC000774166672 654614280 /nfs/dbraw/zinc/61/42/80/654614280.db2.gz SPFLHCCJWPSTNW-UHFFFAOYSA-N 1 0 399.289 1.318 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000737239400 654615213 /nfs/dbraw/zinc/61/52/13/654615213.db2.gz JTUKQFDEFMJKJD-JTQLQIEISA-N 1 0 398.257 1.227 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(Br)n1 ZINC000774222497 654617324 /nfs/dbraw/zinc/61/73/24/654617324.db2.gz LMWBPAHSIGFFAY-LBPRGKRZSA-N 1 0 381.274 1.692 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000774226640 654617585 /nfs/dbraw/zinc/61/75/85/654617585.db2.gz MGLHJQJURIYLJJ-LBPRGKRZSA-N 1 0 381.274 1.692 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)sc1C ZINC000676415384 654641586 /nfs/dbraw/zinc/64/15/86/654641586.db2.gz LFIVLXOWGYTAPP-OKILXGFUSA-N 1 0 386.587 1.939 20 0 GDADRO C[C@H](NC(=O)NCCN(C)S(=O)(=O)c1cccs1)C1CC[NH+](C)CC1 ZINC000676420474 654642217 /nfs/dbraw/zinc/64/22/17/654642217.db2.gz JPLAHUIGRBKHKD-ZDUSSCGKSA-N 1 0 388.559 1.398 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)[NH+]1CCCCC1 ZINC000774888742 654645256 /nfs/dbraw/zinc/64/52/56/654645256.db2.gz JAJHMMREMWJJGS-ILXRZTDVSA-N 1 0 385.599 1.863 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000676701584 654648793 /nfs/dbraw/zinc/64/87/93/654648793.db2.gz MBFJEFYAAIDZOX-GHMZBOCLSA-N 1 0 383.297 1.486 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)Cc2ccccc2C1 ZINC000775152264 654655788 /nfs/dbraw/zinc/65/57/88/654655788.db2.gz NOAXTQJPTMIGPT-CQSZACIVSA-N 1 0 384.307 1.512 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775161596 654657022 /nfs/dbraw/zinc/65/70/22/654657022.db2.gz GZJVZOYZJCIBCH-RYUDHWBXSA-N 1 0 378.300 1.008 20 0 GDADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775184606 654660085 /nfs/dbraw/zinc/66/00/85/654660085.db2.gz RIKVMZPYYDJHSB-ZDUSSCGKSA-N 1 0 388.295 1.553 20 0 GDADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)C[C@H]1C ZINC000677175531 654662412 /nfs/dbraw/zinc/66/24/12/654662412.db2.gz SKXJWDXIFKPENL-HIFRSBDPSA-N 1 0 385.555 1.762 20 0 GDADRO O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)NC[C@@H]1CCCCO1 ZINC000775405290 654666127 /nfs/dbraw/zinc/66/61/27/654666127.db2.gz BNFJNDTWAWUOAC-XGUBFFRZSA-N 1 0 380.601 1.444 20 0 GDADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1cccs1 ZINC000775417862 654666179 /nfs/dbraw/zinc/66/61/79/654666179.db2.gz XWOYTMXIQGFTIC-HKUMRIAESA-N 1 0 379.594 1.852 20 0 GDADRO NS(=O)(=O)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000677711251 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375.535 1.790 20 0 GDADRO COCC[NH+]1CCC(Nc2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000679465745 654702597 /nfs/dbraw/zinc/70/25/97/654702597.db2.gz BRESHZOZLACSCR-UHFFFAOYSA-N 1 0 393.307 1.014 20 0 GDADRO O=C(CN[C@H](CO)c1ccc(Br)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000679832596 654707163 /nfs/dbraw/zinc/70/71/63/654707163.db2.gz RQVYPKZYGGKDSG-QGZVFWFLSA-N 1 0 396.329 1.815 20 0 GDADRO O=c1c(Br)nn(C[N@@H+]2CC[C@@H](n3cncn3)C2)c2ccccc12 ZINC000776774966 654707370 /nfs/dbraw/zinc/70/73/70/654707370.db2.gz HNLOPRYRAGNTHK-LLVKDONJSA-N 1 0 375.230 1.655 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000679886682 654708160 /nfs/dbraw/zinc/70/81/60/654708160.db2.gz CVNBIWMXVBPHGK-NSHDSACASA-N 1 0 394.269 1.994 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC(C)(C)C[NH+](C)C ZINC000743543279 654717864 /nfs/dbraw/zinc/71/78/64/654717864.db2.gz LUYFCEFENZBVAW-CYBMUJFWSA-N 1 0 376.954 1.882 20 0 GDADRO C[C@]1(CNC(=S)NCCNS(C)(=O)=O)CCC[N@@H+]1Cc1ccccc1 ZINC000777483382 654720078 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GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000683652729 654781824 /nfs/dbraw/zinc/78/18/24/654781824.db2.gz QTAPBFZEADMNBL-ZDUSSCGKSA-N 1 0 395.301 1.973 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(Cn2cc(I)cn2)C1 ZINC000747470132 654786455 /nfs/dbraw/zinc/78/64/55/654786455.db2.gz MICHISIFFWNTOL-CQSZACIVSA-N 1 0 392.285 1.878 20 0 GDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(C(N)=O)CCCC1 ZINC000747809907 654792173 /nfs/dbraw/zinc/79/21/73/654792173.db2.gz GVGAAKMSXALUBH-GFCCVEGCSA-N 1 0 388.921 1.340 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC12CCC[NH+]1CCC2 ZINC000684848198 654806563 /nfs/dbraw/zinc/80/65/63/654806563.db2.gz FAOLCNSGFICCGA-ZDUSSCGKSA-N 1 0 385.917 1.751 20 0 GDADRO O=C1NCC2(CC[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)CC2)O1 ZINC000781991584 654822035 /nfs/dbraw/zinc/82/20/35/654822035.db2.gz FXZRDDYDLPCOCX-UHFFFAOYSA-N 1 0 393.241 1.531 20 0 GDADRO OCC[C@]1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCOC1 ZINC000685618136 654823496 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ZINC000783537399 654861724 /nfs/dbraw/zinc/86/17/24/654861724.db2.gz SLLMYKSASTXIIO-AGIUHOORSA-N 1 0 378.516 1.222 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000799906810 654862328 /nfs/dbraw/zinc/86/23/28/654862328.db2.gz FCJMTMIPZIXJJB-UHFFFAOYSA-N 1 0 390.619 1.339 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799942722 654864553 /nfs/dbraw/zinc/86/45/53/654864553.db2.gz PGVITLCLSIYTEW-CJNGLKHVSA-N 1 0 399.333 1.418 20 0 GDADRO C[C@H]1CCC[N@@H+]1CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000783914605 654873167 /nfs/dbraw/zinc/87/31/67/654873167.db2.gz AUEBCHIZQCRTRD-LBPRGKRZSA-N 1 0 393.285 1.760 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1c(Cl)nc2sccn21 ZINC000751173885 654875272 /nfs/dbraw/zinc/87/52/72/654875272.db2.gz VREYULJLIVHWOR-JTQLQIEISA-N 1 0 378.907 1.174 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)/C=C\c2cccc(Br)c2)CC1 ZINC000751425692 654888327 /nfs/dbraw/zinc/88/83/27/654888327.db2.gz PROBXECGPMNDRM-YHYXMXQVSA-N 1 0 389.315 1.796 20 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/nfs/dbraw/zinc/89/93/26/654899326.db2.gz ANNIHOAXRBUYJR-UHFFFAOYSA-N 1 0 399.289 1.006 20 0 GDADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=S)NCCS(C)(=O)=O)cc2)C1 ZINC000729155072 654902797 /nfs/dbraw/zinc/90/27/97/654902797.db2.gz QIYBBYRWBHHZNH-HNNXBMFYSA-N 1 0 383.583 1.927 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000729266654 654906791 /nfs/dbraw/zinc/90/67/91/654906791.db2.gz AFVHNRWQPXTANF-CABCVRRESA-N 1 0 375.535 1.647 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729498160 654911278 /nfs/dbraw/zinc/91/12/78/654911278.db2.gz WLRMWNFYQLBASG-ZBFHGGJFSA-N 1 0 398.301 1.990 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000801171813 654911700 /nfs/dbraw/zinc/91/17/00/654911700.db2.gz JVYLRHYQKJCCOB-ZDUSSCGKSA-N 1 0 385.306 1.818 20 0 GDADRO Cn1nc(Br)cc1CNCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000785448120 654917684 /nfs/dbraw/zinc/91/76/84/654917684.db2.gz SRXDOBYAQNMVSF-UHFFFAOYSA-N 1 0 394.317 1.764 20 0 GDADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000785515805 654919288 /nfs/dbraw/zinc/91/92/88/654919288.db2.gz SBFNSOHCGUIHGA-CQSZACIVSA-N 1 0 378.274 1.858 20 0 GDADRO CCN1C(=O)[C@H]2C[N@H+](C[C@H](O)c3ccc(Br)cc3)CCN2C1=O ZINC000752094284 654920103 /nfs/dbraw/zinc/92/01/03/654920103.db2.gz LHRIMYXIQKWQKJ-KGLIPLIRSA-N 1 0 382.258 1.451 20 0 GDADRO CN(C[C@H]1CC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1)C(=O)OC(C)(C)C ZINC000801515859 654926283 /nfs/dbraw/zinc/92/62/83/654926283.db2.gz JJKGKBMOPQNSQO-HUUCEWRRSA-N 1 0 375.535 1.457 20 0 GDADRO C[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000801519552 654926606 /nfs/dbraw/zinc/92/66/06/654926606.db2.gz RFVDVYHZXRQUPG-CQSZACIVSA-N 1 0 377.551 1.751 20 0 GDADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000801537237 654927155 /nfs/dbraw/zinc/92/71/55/654927155.db2.gz SXKAIGDNRIKUNL-RRFJBIMHSA-N 1 0 375.535 1.503 20 0 GDADRO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000801574669 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GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000842220413 655359469 /nfs/dbraw/zinc/35/94/69/655359469.db2.gz BWRKGSIMXGNKDY-UHFFFAOYSA-N 1 0 398.257 1.369 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000842258121 655360579 /nfs/dbraw/zinc/36/05/79/655360579.db2.gz NQGPUZSBISLOEM-ZDUSSCGKSA-N 1 0 384.274 1.203 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000817863921 655361321 /nfs/dbraw/zinc/36/13/21/655361321.db2.gz YGLPSKBOQQJSJV-VWYCJHECSA-N 1 0 375.878 1.516 20 0 GDADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000817989250 655363484 /nfs/dbraw/zinc/36/34/84/655363484.db2.gz MFPAYWHHVYNBQD-WFASDCNBSA-N 1 0 398.301 1.138 20 0 GDADRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000818083060 655365918 /nfs/dbraw/zinc/36/59/18/655365918.db2.gz SZOYXVUYRVQHMO-ZDUSSCGKSA-N 1 0 390.531 1.106 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c(C)c1Cl ZINC000842479642 655366635 /nfs/dbraw/zinc/36/66/35/655366635.db2.gz BLKRFNODEATCDF-VHSXEESVSA-N 1 0 378.903 1.869 20 0 GDADRO O=C(CNC(=O)CN1CC[C@]2(CCC[NH2+]2)C1)Nc1ccccc1Br ZINC000842477252 655366636 /nfs/dbraw/zinc/36/66/36/655366636.db2.gz KFEKLALSSOKOHA-QGZVFWFLSA-N 1 0 395.301 1.332 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842480969 655367048 /nfs/dbraw/zinc/36/70/48/655367048.db2.gz GDCRBZQTGPPZGU-VHSXEESVSA-N 1 0 386.417 1.386 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842482027 655367320 /nfs/dbraw/zinc/36/73/20/655367320.db2.gz SSWJMBSUCYDIQV-NSHDSACASA-N 1 0 388.433 1.632 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)ccc1Cl ZINC000842483845 655367652 /nfs/dbraw/zinc/36/76/52/655367652.db2.gz RTGABPZCHVNVOF-SECBINFHSA-N 1 0 376.834 1.004 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NCC2([NH3+])CCCCC2)c(Cl)s1 ZINC000842674988 655370675 /nfs/dbraw/zinc/37/06/75/655370675.db2.gz MZRBICQCAKUQHE-UHFFFAOYSA-N 1 0 386.948 1.745 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH2+]C)C2)c1 ZINC000842683564 655371120 /nfs/dbraw/zinc/37/11/20/655371120.db2.gz NISOBFKPZOZAJZ-NSHDSACASA-N 1 0 391.287 1.608 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)ccc1Br ZINC000842700923 655371983 /nfs/dbraw/zinc/37/19/83/655371983.db2.gz YSLJTRRASYYQML-SECBINFHSA-N 1 0 377.260 1.205 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c(F)cc1Br ZINC000842705046 655372407 /nfs/dbraw/zinc/37/24/07/655372407.db2.gz RGOBOJCSLMRVQP-QMMMGPOBSA-N 1 0 395.250 1.405 20 0 GDADRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842709045 655372697 /nfs/dbraw/zinc/37/26/97/655372697.db2.gz YVCYXJZRTHAEFY-UHFFFAOYSA-N 1 0 388.433 1.647 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1Br ZINC000842726749 655373981 /nfs/dbraw/zinc/37/39/81/655373981.db2.gz NFQAZPAKHNTKIG-NOZJJQNGSA-N 1 0 391.287 1.594 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000818429311 655374216 /nfs/dbraw/zinc/37/42/16/655374216.db2.gz CGYUVFFKRCCYCW-NXEZZACHSA-N 1 0 386.417 1.528 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000842744353 655374818 /nfs/dbraw/zinc/37/48/18/655374818.db2.gz RADBFQOKNOYYKZ-OTYXRUKQSA-N 1 0 391.287 1.388 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)/C=C\c2ccc(Br)cc2)CCO1 ZINC000842744559 655374854 /nfs/dbraw/zinc/37/48/54/655374854.db2.gz TYJLHPAGJATENL-SGJSMBNBSA-N 1 0 375.288 1.798 20 0 GDADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Br)o1 ZINC000818583870 655376804 /nfs/dbraw/zinc/37/68/04/655376804.db2.gz CXNILASAFRGMQP-PZBABLGHSA-N 1 0 384.274 1.901 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)C[NH3+])c(Br)cc1F ZINC000842786533 655376884 /nfs/dbraw/zinc/37/68/84/655376884.db2.gz BHJYXRVNZMHSKI-SSDOTTSWSA-N 1 0 383.239 1.248 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000842798314 655377877 /nfs/dbraw/zinc/37/78/77/655377877.db2.gz PLZBBDVIFXOXJX-ZWNOBZJWSA-N 1 0 379.404 1.935 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000842799706 655378005 /nfs/dbraw/zinc/37/80/05/655378005.db2.gz ZWUYEIJATIUGIZ-ONOODXEBSA-N 1 0 385.917 1.960 20 0 GDADRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)C1 ZINC000842801858 655378139 /nfs/dbraw/zinc/37/81/39/655378139.db2.gz PSUANMBTFGQLCU-OCAPTIKFSA-N 1 0 379.667 1.518 20 0 GDADRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C1CCCC1 ZINC000842804202 655378247 /nfs/dbraw/zinc/37/82/47/655378247.db2.gz LCBXZJYJRRSFTD-CYBMUJFWSA-N 1 0 379.404 1.983 20 0 GDADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC[NH2+]1 ZINC000842815890 655379027 /nfs/dbraw/zinc/37/90/27/655379027.db2.gz UYKCZBQXTSZXIJ-NXEZZACHSA-N 1 0 386.417 1.399 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)ccc1Br ZINC000842836796 655380552 /nfs/dbraw/zinc/38/05/52/655380552.db2.gz HAUMEGHBOZEABU-ZJUUUORDSA-N 1 0 391.287 1.607 20 0 GDADRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000842848646 655380859 /nfs/dbraw/zinc/38/08/59/655380859.db2.gz SRMMAFZXXGRRHG-LBPRGKRZSA-N 1 0 386.417 1.340 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)s1 ZINC000842873441 655381942 /nfs/dbraw/zinc/38/19/42/655381942.db2.gz MCJBMUKBHHFTKX-UHFFFAOYSA-N 1 0 387.527 1.411 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000818946034 655382014 /nfs/dbraw/zinc/38/20/14/655382014.db2.gz CHCRMCVNHJRKOH-OAHLLOKOSA-N 1 0 391.331 1.886 20 0 GDADRO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000818974012 655382512 /nfs/dbraw/zinc/38/25/12/655382512.db2.gz BDODZZSPGFWVJY-XHSDSOJGSA-N 1 0 376.563 1.699 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)C2CC([NH3+])C2)ccc1Br ZINC000842888813 655382819 /nfs/dbraw/zinc/38/28/19/655382819.db2.gz RWIVYQJFRXKKDQ-UHFFFAOYSA-N 1 0 377.260 1.346 20 0 GDADRO CS(=O)(=O)CC[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000818990303 655382907 /nfs/dbraw/zinc/38/29/07/655382907.db2.gz XCKHOUOETGRPEL-OAHLLOKOSA-N 1 0 380.432 1.713 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@H](O)c1ccccc1Br ZINC000818998521 655382922 /nfs/dbraw/zinc/38/29/22/655382922.db2.gz RXLNGZXXCDBHGP-AWEZNQCLSA-N 1 0 377.304 1.498 20 0 GDADRO Cn1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)nc1Cl ZINC000842890334 655382958 /nfs/dbraw/zinc/38/29/58/655382958.db2.gz IFBMKJWQPLCVFQ-GXTWGEPZSA-N 1 0 386.880 1.884 20 0 GDADRO O=C1OCCN1CCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000819012840 655383163 /nfs/dbraw/zinc/38/31/63/655383163.db2.gz QIIMYVCCVGGBPI-CYBMUJFWSA-N 1 0 391.237 1.760 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000819037081 655383590 /nfs/dbraw/zinc/38/35/90/655383590.db2.gz LIVMKXHKHCKQCN-INIZCTEOSA-N 1 0 398.301 1.153 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)NC[C@H]1CCCCO1 ZINC000819055342 655384274 /nfs/dbraw/zinc/38/42/74/655384274.db2.gz UHCRSDWMRKUQEN-CZUORRHYSA-N 1 0 394.896 1.591 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC000819062069 655384428 /nfs/dbraw/zinc/38/44/28/655384428.db2.gz ARZAWWYGKZDKFA-AWEZNQCLSA-N 1 0 378.441 1.280 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000819058694 655384473 /nfs/dbraw/zinc/38/44/73/655384473.db2.gz GDVGSMLMVRITHI-OAHLLOKOSA-N 1 0 380.432 1.583 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)c2cc(F)ccc2F)s1 ZINC000819179606 655387594 /nfs/dbraw/zinc/38/75/94/655387594.db2.gz FCRMAJILCPSCQF-CQSZACIVSA-N 1 0 376.450 1.936 20 0 GDADRO C[C@](O)(C[NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(Br)cc1F ZINC000843060728 655387633 /nfs/dbraw/zinc/38/76/33/655387633.db2.gz NDYGHKIGWZDGAJ-CJNGLKHVSA-N 1 0 391.281 1.078 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@H](O)c1ccc(F)cc1 ZINC000843074866 655387967 /nfs/dbraw/zinc/38/79/67/655387967.db2.gz PDCSCJNMRRAPGR-LRDDRELGSA-N 1 0 375.462 1.594 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1F)c1cccs1 ZINC000843096965 655388249 /nfs/dbraw/zinc/38/82/49/655388249.db2.gz HLYPDRGMDSTLRA-FZMZJTMJSA-N 1 0 377.434 1.484 20 0 GDADRO CN(Cc1ccc(Br)cc1SCCS(C)(=O)=O)C1C[NH2+]C1 ZINC000843126934 655389142 /nfs/dbraw/zinc/38/91/42/655389142.db2.gz NKLXSDXLCJXTFD-UHFFFAOYSA-N 1 0 393.372 1.989 20 0 GDADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000819307996 655389413 /nfs/dbraw/zinc/38/94/13/655389413.db2.gz KYOQVNQKWBWPSV-HUUCEWRRSA-N 1 0 391.331 1.886 20 0 GDADRO CN(Cc1noc(C[C@H]2CSCC[NH2+]2)n1)S(=O)(=O)c1ccc(F)cc1 ZINC000843230573 655389995 /nfs/dbraw/zinc/38/99/95/655389995.db2.gz MLSSIQVEEWTHGS-LBPRGKRZSA-N 1 0 386.474 1.277 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NCCCCCC[NH3+] ZINC000843262774 655390155 /nfs/dbraw/zinc/39/01/55/655390155.db2.gz SYWVVAOZIKJHGF-UHFFFAOYSA-N 1 0 386.290 1.709 20 0 GDADRO C[C@@H](CC(=O)NCC1([NH3+])CCCCC1)NS(=O)(=O)c1cccnc1Cl ZINC000843289930 655391082 /nfs/dbraw/zinc/39/10/82/655391082.db2.gz HJIADEQZOUIZRM-LBPRGKRZSA-N 1 0 388.921 1.570 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)/C=C/c1ccc(I)o1 ZINC000843337687 655392930 /nfs/dbraw/zinc/39/29/30/655392930.db2.gz KAGIDASJFJQAAG-HWKANZROSA-N 1 0 389.237 1.261 20 0 GDADRO CCCN(C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)[C@@H]1CC[NH2+]C1 ZINC000843337028 655392962 /nfs/dbraw/zinc/39/29/62/655392962.db2.gz IWFNDWFXTAYDHI-CHWSQXEVSA-N 1 0 388.921 1.392 20 0 GDADRO C[C@H](CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)NS(=O)(=O)c1cccnc1Cl ZINC000843347308 655393256 /nfs/dbraw/zinc/39/32/56/655393256.db2.gz UCACNEHEKQVQOL-AGIUHOORSA-N 1 0 388.921 1.378 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000843346830 655393265 /nfs/dbraw/zinc/39/32/65/655393265.db2.gz PRDLALBZCYIUPP-AAEUAGOBSA-N 1 0 375.441 1.823 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC[C@H]1[NH3+] ZINC000843347911 655393310 /nfs/dbraw/zinc/39/33/10/655393310.db2.gz YJDFEKCLSAGLNT-ZYHUDNBSSA-N 1 0 380.495 1.107 20 0 GDADRO C[NH2+]CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000843349099 655393314 /nfs/dbraw/zinc/39/33/14/655393314.db2.gz GZRPVOGHDSYNPS-UHFFFAOYSA-N 1 0 375.441 1.553 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC[C@@H]1[NH3+] ZINC000843347908 655393319 /nfs/dbraw/zinc/39/33/19/655393319.db2.gz YJDFEKCLSAGLNT-PWSUYJOCSA-N 1 0 380.495 1.107 20 0 GDADRO C[C@@H](CC(=O)N(C)CC(C)(C)C[NH3+])NS(=O)(=O)c1cccnc1Cl ZINC000843355741 655393592 /nfs/dbraw/zinc/39/35/92/655393592.db2.gz IQJNQNQAYZMEDH-NSHDSACASA-N 1 0 376.910 1.235 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)/C=C\c2ccc(I)o2)CCO1 ZINC000843357999 655393650 /nfs/dbraw/zinc/39/36/50/655393650.db2.gz VWAIJKWDJILMHZ-VQHWEZBXSA-N 1 0 376.194 1.472 20 0 GDADRO [NH3+]CC[C@H]1CCCCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000843385093 655394025 /nfs/dbraw/zinc/39/40/25/655394025.db2.gz WOESLMJEYCMKAF-GFCCVEGCSA-N 1 0 375.441 1.825 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000843414620 655394620 /nfs/dbraw/zinc/39/46/20/655394620.db2.gz KENCHGNCPSKNOC-OAHLLOKOSA-N 1 0 398.301 1.454 20 0 GDADRO C[C@@H](CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)NS(=O)(=O)c1cccnc1Cl ZINC000843451334 655395226 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GDADRO C[C@H](CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)NS(=O)(=O)c1cccnc1Cl ZINC000843482383 655396477 /nfs/dbraw/zinc/39/64/77/655396477.db2.gz UXCDOOWNNVWPIR-JHJVBQTASA-N 1 0 386.905 1.002 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000843509128 655397341 /nfs/dbraw/zinc/39/73/41/655397341.db2.gz WQSPBGWMPOPVGT-NWDGAFQWSA-N 1 0 388.921 1.378 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)/C=C\c2ccc(Cl)s2)CC1=O ZINC000819886523 655397732 /nfs/dbraw/zinc/39/77/32/655397732.db2.gz GMIPHULXACBXBE-AGLBCWCQSA-N 1 0 385.917 1.710 20 0 GDADRO NS(=O)(=O)c1ccsc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820101004 655402931 /nfs/dbraw/zinc/40/29/31/655402931.db2.gz SSYAXKYCYNYSBS-NHAGDIPZSA-N 1 0 377.491 1.256 20 0 GDADRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000844321023 655409384 /nfs/dbraw/zinc/40/93/84/655409384.db2.gz BAOLTTCAMCFZMG-WCQYABFASA-N 1 0 389.905 1.944 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccnc(Br)c3)CC2)C1=O 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OFKKGFCOGJLUFI-UHFFFAOYSA-N 1 0 387.468 1.725 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@H]1CCO ZINC000845837491 655436490 /nfs/dbraw/zinc/43/64/90/655436490.db2.gz OQFNGWJTIPRAOE-ZIAGYGMSSA-N 1 0 375.535 1.158 20 0 GDADRO CN(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000822152538 655440986 /nfs/dbraw/zinc/44/09/86/655440986.db2.gz TXQOEKJHJSZSGH-CQSZACIVSA-N 1 0 385.452 1.334 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846234743 655450454 /nfs/dbraw/zinc/45/04/54/655450454.db2.gz KBYDLIGHKNEQEQ-XQQFMLRXSA-N 1 0 376.910 1.431 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000846255580 655451080 /nfs/dbraw/zinc/45/10/80/655451080.db2.gz IVJCGHKIUDJUGI-DLBZAZTESA-N 1 0 377.888 1.377 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000846291191 655452022 /nfs/dbraw/zinc/45/20/22/655452022.db2.gz KJKZJTKVYNBAQM-UHFFFAOYSA-N 1 0 375.922 1.956 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000846320413 655452292 /nfs/dbraw/zinc/45/22/92/655452292.db2.gz BBBZMFDIFOZDHV-UHFFFAOYSA-N 1 0 375.654 1.681 20 0 GDADRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000822870246 655452680 /nfs/dbraw/zinc/45/26/80/655452680.db2.gz SCUZQCRQLWZSGH-QWHCGFSZSA-N 1 0 389.543 1.955 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1=O ZINC000846357333 655452657 /nfs/dbraw/zinc/45/26/57/655452657.db2.gz PSBZNNPFNUHKBM-HNNXBMFYSA-N 1 0 388.295 1.649 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000823021434 655455318 /nfs/dbraw/zinc/45/53/18/655455318.db2.gz WCLIDPIHBFADLF-RHSMWYFYSA-N 1 0 376.519 1.257 20 0 GDADRO Cc1cc([C@H]([NH3+])Cc2nc(CC(=O)N3CCSCC3)no2)cc(Cl)n1 ZINC000823082722 655456131 /nfs/dbraw/zinc/45/61/31/655456131.db2.gz MSGUVCYKMGGQLI-GFCCVEGCSA-N 1 0 381.889 1.787 20 0 GDADRO CS(=O)(=O)C1(c2nc(-c3c(Cl)nc4sccn43)no2)CC[NH2+]CC1 ZINC000823079049 655456153 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CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824677505 655478939 /nfs/dbraw/zinc/47/89/39/655478939.db2.gz DWKYHMDTUBUYLJ-SOUVJXGZSA-N 1 0 377.551 1.939 20 0 GDADRO Cn1nc(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1Br ZINC000824931984 655482319 /nfs/dbraw/zinc/48/23/19/655482319.db2.gz HXAVYRAABAHNQF-UHFFFAOYSA-N 1 0 394.273 1.726 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)c1cccc(CN2C(=O)CSC2=O)c1)C(F)(F)F ZINC000825202622 655485686 /nfs/dbraw/zinc/48/56/86/655485686.db2.gz SLHYUYMEMGZGDV-LLVKDONJSA-N 1 0 375.372 1.892 20 0 GDADRO CC(C)NS(=O)(=O)c1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)ccc1F ZINC000825207262 655485797 /nfs/dbraw/zinc/48/57/97/655485797.db2.gz HUOMRBGZCQSRLQ-GFCCVEGCSA-N 1 0 385.383 1.522 20 0 GDADRO C[C@@H](CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)NS(=O)(=O)c1cccnc1Cl ZINC000825215640 655485983 /nfs/dbraw/zinc/48/59/83/655485983.db2.gz UPDINOZQMOCNHM-RWMBFGLXSA-N 1 0 386.905 1.002 20 0 GDADRO C[NH+]1CCC2(CCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)CC1 ZINC000825251525 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GDADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000848602108 655497387 /nfs/dbraw/zinc/49/73/87/655497387.db2.gz QXYRRWIDAQPXSF-UHFFFAOYSA-N 1 0 394.465 1.575 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000826797354 655501266 /nfs/dbraw/zinc/50/12/66/655501266.db2.gz RMFPQPFECDENTH-ONGXEEELSA-N 1 0 384.112 1.719 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)oc1Cl ZINC000826831523 655501710 /nfs/dbraw/zinc/50/17/10/655501710.db2.gz JEMJCFGPXKXQLV-JQWIXIFHSA-N 1 0 377.894 1.773 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CC[C@H]21 ZINC000827367387 655509967 /nfs/dbraw/zinc/50/99/67/655509967.db2.gz VBNJJGYPRQOSLJ-XJKSGUPXSA-N 1 0 385.917 1.561 20 0 GDADRO CC1([NH+]2CCOCC2)CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000827410731 655510753 /nfs/dbraw/zinc/51/07/53/655510753.db2.gz VXUJTMFZLALZGL-UHFFFAOYSA-N 1 0 397.317 1.848 20 0 GDADRO CCc1n[nH]c(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1Br ZINC000827439518 655511277 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Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850496246 655556563 /nfs/dbraw/zinc/55/65/63/655556563.db2.gz MLIYPNVUDXNYCQ-BSNNYGBQSA-N 1 0 386.461 1.912 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000850591311 655559509 /nfs/dbraw/zinc/55/95/09/655559509.db2.gz QPMKUMQFYNWQLF-UHFFFAOYSA-N 1 0 389.271 1.348 20 0 GDADRO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCn4ncc(Br)c4C3)cc2C1 ZINC000850753489 655567566 /nfs/dbraw/zinc/56/75/66/655567566.db2.gz FYMSAVCTYCEAAO-NSHDSACASA-N 1 0 391.273 1.904 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000851682152 655590477 /nfs/dbraw/zinc/59/04/77/655590477.db2.gz SKZHLNMBGJIBPC-GFCCVEGCSA-N 1 0 386.239 1.481 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000851690939 655590662 /nfs/dbraw/zinc/59/06/62/655590662.db2.gz OHBJBJFNBKMJHX-BXUZGUMPSA-N 1 0 384.274 1.073 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2nc(CC)ns2)CC1 ZINC000851792096 655595192 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O=C(NCCS(=O)(=O)CCc1ccccc1)c1cc2c(s1)CC[NH2+]C2 ZINC000852826137 655623735 /nfs/dbraw/zinc/62/37/35/655623735.db2.gz QQECFNNAFSBYLH-UHFFFAOYSA-N 1 0 378.519 1.781 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)c1cccn2c(I)cnc12 ZINC000852859032 655624129 /nfs/dbraw/zinc/62/41/29/655624129.db2.gz MNFBWSNQODBEKL-UHFFFAOYSA-N 1 0 382.205 1.502 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)c1cnn(-c2ccccc2)c1I ZINC000852874643 655624931 /nfs/dbraw/zinc/62/49/31/655624931.db2.gz SRHZFBXINGGZLI-JTQLQIEISA-N 1 0 384.221 1.802 20 0 GDADRO C[C@@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1(Br)Br ZINC000852878909 655624951 /nfs/dbraw/zinc/62/49/51/655624951.db2.gz AOYZBQMKJYWMSS-PWSUYJOCSA-N 1 0 395.139 1.389 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852898447 655625814 /nfs/dbraw/zinc/62/58/14/655625814.db2.gz YXXVRZDZJXKSSL-CABZTGNLSA-N 1 0 375.313 1.446 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(c2ncnc3c2c(Br)nn3C)CC1 ZINC000853657309 655646752 /nfs/dbraw/zinc/64/67/52/655646752.db2.gz QNWAMDIABDSEFW-UHFFFAOYSA-N 1 0 383.294 1.455 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C)NS(=O)(=O)c1cccnc1Cl ZINC000854654220 655673514 /nfs/dbraw/zinc/67/35/14/655673514.db2.gz KDWKTTLHWRRZLJ-AGIUHOORSA-N 1 0 388.921 1.343 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000855160857 655686134 /nfs/dbraw/zinc/68/61/34/655686134.db2.gz GZSDCMXWKOHZEM-JTQLQIEISA-N 1 0 391.896 1.977 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCC[C@@H](C)[NH+](C)C)ccc1Cl ZINC000855411982 655693679 /nfs/dbraw/zinc/69/36/79/655693679.db2.gz FRXWIUNSAWQVCS-LLVKDONJSA-N 1 0 377.894 1.592 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1csc(I)n1 ZINC000855414317 655693715 /nfs/dbraw/zinc/69/37/15/655693715.db2.gz AQFHWZZOXFWYQB-UHFFFAOYSA-N 1 0 396.298 1.361 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(n2nncc2I)CC1 ZINC000855826081 655702310 /nfs/dbraw/zinc/70/23/10/655702310.db2.gz SMNIUDLYEAEZPS-LLVKDONJSA-N 1 0 389.241 1.140 20 0 GDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(Br)nc2n1CCC2 ZINC000856098575 655707847 /nfs/dbraw/zinc/70/78/47/655707847.db2.gz OZWJXPUAWMRNFO-GFCCVEGCSA-N 1 0 383.290 1.575 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)C(F)F)CCO1 ZINC000856430007 655713180 /nfs/dbraw/zinc/71/31/80/655713180.db2.gz PCDCCVKNWFIVAE-LLVKDONJSA-N 1 0 396.481 1.927 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000856833201 655720033 /nfs/dbraw/zinc/72/00/33/655720033.db2.gz XQGCEIMCEQTFLD-GFCCVEGCSA-N 1 0 379.332 1.812 20 0 GDADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)ccc1S(=O)(=O)C(F)F ZINC000857084539 655727490 /nfs/dbraw/zinc/72/74/90/655727490.db2.gz UXGGWTBXZJYIPL-ZWNOBZJWSA-N 1 0 376.425 1.963 20 0 GDADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Br)c[nH]c1=O ZINC000857127644 655728543 /nfs/dbraw/zinc/72/85/43/655728543.db2.gz VVLJSKPWQWEXNZ-CYBMUJFWSA-N 1 0 384.274 1.923 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857143790 655729026 /nfs/dbraw/zinc/72/90/26/655729026.db2.gz SNBNGUSZSXYCFT-ZDUSSCGKSA-N 1 0 397.317 1.980 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000857183828 655730038 /nfs/dbraw/zinc/73/00/38/655730038.db2.gz ORFFUKGPCINLEH-OAHLLOKOSA-N 1 0 375.311 1.833 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Br)cnc1Cl)C2 ZINC000857233835 655731544 /nfs/dbraw/zinc/73/15/44/655731544.db2.gz GIQYNYDBSSAOAY-PELKAZGASA-N 1 0 380.695 1.999 20 0 GDADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c(Br)nc3n1CCOC3)C2 ZINC000857721417 655740119 /nfs/dbraw/zinc/74/01/19/655740119.db2.gz KFXHYVXPWVDMOG-MRXNPFEDSA-N 1 0 383.290 1.734 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cn(C)nc2Br)CC1 ZINC000858156735 655745104 /nfs/dbraw/zinc/74/51/04/655745104.db2.gz LUDJIAXIGIYSRE-UHFFFAOYSA-N 1 0 379.324 1.334 20 0 GDADRO Cn1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Br)n1 ZINC000858163642 655745216 /nfs/dbraw/zinc/74/52/16/655745216.db2.gz JGSUBTSKRYIIAU-JQWIXIFHSA-N 1 0 379.324 1.380 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)ccc1S(=O)(=O)C(F)F ZINC000858547525 655749297 /nfs/dbraw/zinc/74/92/97/655749297.db2.gz HZDQRXFVPIXBOY-DGCLKSJQSA-N 1 0 378.441 1.409 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000858609617 655750083 /nfs/dbraw/zinc/75/00/83/655750083.db2.gz VYQRAAFTOPANCL-WDEREUQCSA-N 1 0 379.404 1.935 20 0 GDADRO [NH3+]CC1(NS(=O)(=O)/C=C/c2ccccc2Br)CCOCC1 ZINC000858629955 655751366 /nfs/dbraw/zinc/75/13/66/655751366.db2.gz FWCQRIRRUWHOPS-BJMVGYQFSA-N 1 0 375.288 1.847 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c(Cl)nn(C)c1Cl ZINC000859079193 655762081 /nfs/dbraw/zinc/76/20/81/655762081.db2.gz ORLOLSAACWFNNL-SNVBAGLBSA-N 1 0 376.288 1.399 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860631237 655804651 /nfs/dbraw/zinc/80/46/51/655804651.db2.gz PNFBUKMCZFQPKX-UHFFFAOYSA-N 1 0 383.246 1.217 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000861512707 655824114 /nfs/dbraw/zinc/82/41/14/655824114.db2.gz QMYVDBPLDURVTF-UHFFFAOYSA-N 1 0 383.168 1.609 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cnc1Cl ZINC000861515891 655824273 /nfs/dbraw/zinc/82/42/73/655824273.db2.gz QWWVJLHEKBFMOR-GXSJLCMTSA-N 1 0 378.782 1.968 20 0 GDADRO Cc1cc(Cl)ncc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000861515838 655824301 /nfs/dbraw/zinc/82/43/01/655824301.db2.gz OQEMLYZPBPIUQW-VHSXEESVSA-N 1 0 378.782 1.968 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861538856 655825273 /nfs/dbraw/zinc/82/52/73/655825273.db2.gz GFBKFANWSOGBNZ-VIFPVBQESA-N 1 0 375.210 1.344 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])ccc1Br ZINC000861542460 655825583 /nfs/dbraw/zinc/82/55/83/655825583.db2.gz OZRKHHRTAVPIJB-QMMMGPOBSA-N 1 0 386.246 1.288 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000861702856 655828664 /nfs/dbraw/zinc/82/86/64/655828664.db2.gz ZUSAFEBRFUFJPU-VHSXEESVSA-N 1 0 389.319 1.649 20 0 GDADRO O=C(c1csc(I)n1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861718166 655829208 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Cn1ncc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000866424290 655942119 /nfs/dbraw/zinc/94/21/19/655942119.db2.gz FETINFYWAXBCJO-UHFFFAOYSA-N 1 0 386.275 1.089 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NCC[NH+]1CCCC1 ZINC000866427357 655942322 /nfs/dbraw/zinc/94/23/22/655942322.db2.gz NEUUFTUECBQYBX-UHFFFAOYSA-N 1 0 377.304 1.973 20 0 GDADRO Cn1cc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)c(Br)n1 ZINC000866425875 655942351 /nfs/dbraw/zinc/94/23/51/655942351.db2.gz PJUITIXKTKXVMM-UHFFFAOYSA-N 1 0 387.303 1.723 20 0 GDADRO CC1CC[NH+](CCCNS(=O)(=O)c2cnn(C)c2Br)CC1 ZINC000866463862 655944519 /nfs/dbraw/zinc/94/45/19/655944519.db2.gz DQXATDSJTWMJME-UHFFFAOYSA-N 1 0 379.324 1.583 20 0 GDADRO O=S(=O)(NCCC[N@@H+]1CCc2ccccc2C1)c1nc[nH]c1Br ZINC000866473029 655945432 /nfs/dbraw/zinc/94/54/32/655945432.db2.gz JNAJHBCUWKNYDJ-UHFFFAOYSA-N 1 0 399.314 1.899 20 0 GDADRO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)N=[S@](C)(=O)CC)cc1 ZINC000866497834 655947328 /nfs/dbraw/zinc/94/73/28/655947328.db2.gz MIWFJWYXIGPDIR-XMMPIXPASA-N 1 0 391.559 1.859 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cnn(C)c2Br)C1 ZINC000866506424 655947748 /nfs/dbraw/zinc/94/77/48/655947748.db2.gz JSJLLQWZYMGGLS-RYUDHWBXSA-N 1 0 393.351 1.829 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000866675007 655953214 /nfs/dbraw/zinc/95/32/14/655953214.db2.gz GKCHIAPMCVKSNS-VHSXEESVSA-N 1 0 396.332 1.188 20 0 GDADRO Cc1ccc(C(=O)N2CCSCC2)cc1OS(=O)(=O)CCC[NH+](C)C ZINC000866681589 655954291 /nfs/dbraw/zinc/95/42/91/655954291.db2.gz CTKISXQUJWDEAH-UHFFFAOYSA-N 1 0 386.539 1.844 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000866721247 655956743 /nfs/dbraw/zinc/95/67/43/655956743.db2.gz LJSDQOSLORWEIE-NSHDSACASA-N 1 0 377.308 1.811 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(OS(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC000866728104 655956980 /nfs/dbraw/zinc/95/69/80/655956980.db2.gz RMYZQOMWDLLSQN-UHFFFAOYSA-N 1 0 376.500 1.131 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000866751502 655958916 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GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000866874244 655972564 /nfs/dbraw/zinc/97/25/64/655972564.db2.gz NFOIQAHDNKSDSR-KBPBESRZSA-N 1 0 386.389 1.763 20 0 GDADRO CCOC(=O)C1(S(=O)(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CCC1 ZINC000866904594 655975595 /nfs/dbraw/zinc/97/55/95/655975595.db2.gz JNSJDCOWSULRTL-HNNXBMFYSA-N 1 0 376.519 1.235 20 0 GDADRO CS(C)(=O)=NS(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000866972678 655983316 /nfs/dbraw/zinc/98/33/16/655983316.db2.gz UXNGGBFSNPVPET-IRXDYDNUSA-N 1 0 385.555 1.945 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1Br ZINC000866985622 655984328 /nfs/dbraw/zinc/98/43/28/655984328.db2.gz JNCAUFQWWURWQN-MNOVXSKESA-N 1 0 377.308 1.287 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Br)n1 ZINC000866986509 655984521 /nfs/dbraw/zinc/98/45/21/655984521.db2.gz VJPJQWHMLANKBI-MNOVXSKESA-N 1 0 377.308 1.287 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cnn(C)c2Br)C1 ZINC000866992322 655984855 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C[C@@H]1CN(S(=O)(=O)c2cn(C)nc2Br)CC[N@@H+](C2CCC2)C1 ZINC000867299591 656033755 /nfs/dbraw/zinc/03/37/55/656033755.db2.gz WGZXOWXHTMSGLI-NSHDSACASA-N 1 0 391.335 1.678 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(Br)n1 ZINC000867308112 656035369 /nfs/dbraw/zinc/03/53/69/656035369.db2.gz DUJYGIDGAIUTCT-ZDUSSCGKSA-N 1 0 377.308 1.289 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000867309102 656035630 /nfs/dbraw/zinc/03/56/30/656035630.db2.gz QOXBMXVMRYBIOY-CMPLNLGQSA-N 1 0 379.404 1.901 20 0 GDADRO C[NH+](C)C1CCC(NS(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000867420535 656057556 /nfs/dbraw/zinc/05/75/56/656057556.db2.gz KIFHCAOXSRKEDF-UHFFFAOYSA-N 1 0 375.535 1.646 20 0 GDADRO Cc1ccc(Br)c(CS(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000867485659 656068909 /nfs/dbraw/zinc/06/89/09/656068909.db2.gz WVNPYOSOFAVPIJ-UONOGXRCSA-N 1 0 389.315 1.338 20 0 GDADRO CN(CCCn1ccnc1)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867564531 656084728 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[NH3+][C@@]1(CO)CCCN(S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000923694234 656590175 /nfs/dbraw/zinc/59/01/75/656590175.db2.gz DKLMJFQUNAZNRG-AWEZNQCLSA-N 1 0 389.271 1.670 20 0 GDADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C1 ZINC000923694178 656590186 /nfs/dbraw/zinc/59/01/86/656590186.db2.gz AUDQUYXRTCBQRT-NSHDSACASA-N 1 0 379.404 1.338 20 0 GDADRO [NH3+][C@]1(CO)CCCN(S(=O)(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000923695204 656590622 /nfs/dbraw/zinc/59/06/22/656590622.db2.gz NTRUCLQPMXUDCL-DEBLGDTFSA-N 1 0 375.288 1.535 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000923695697 656591143 /nfs/dbraw/zinc/59/11/43/656591143.db2.gz OINRUMZOUMBCPD-SNVBAGLBSA-N 1 0 380.388 1.851 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000923696821 656591607 /nfs/dbraw/zinc/59/16/07/656591607.db2.gz DYVBZURRDGVJGM-NSHDSACASA-N 1 0 389.905 1.410 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)NCc1ncc(Br)s1 ZINC000876282932 656591939 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CCn1ncc(C(=O)N2CCOC[C@]2(COC)C[NH+](C)C)c1Br ZINC000876470406 656606484 /nfs/dbraw/zinc/60/64/84/656606484.db2.gz RZWHHCUVBACHOI-OAHLLOKOSA-N 1 0 389.294 1.085 20 0 GDADRO CC(C)(C)OC(=O)NCC1(C[NH+]2CCC(NS(C)(=O)=O)CC2)CCC1 ZINC000876555828 656613584 /nfs/dbraw/zinc/61/35/84/656613584.db2.gz GLCIKZGYCNBNCF-UHFFFAOYSA-N 1 0 375.535 1.695 20 0 GDADRO COC[C@]1(C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)C[NH2+]CCO1 ZINC000876565835 656614834 /nfs/dbraw/zinc/61/48/34/656614834.db2.gz OQHWWESUVTUBDF-ZBEGNZNMSA-N 1 0 387.274 1.640 20 0 GDADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)c2sc(C3CC[NH2+]CC3)nc2C)C1 ZINC000876662004 656622993 /nfs/dbraw/zinc/62/29/93/656622993.db2.gz TXOXSSKGEWWXLH-ZDUSSCGKSA-N 1 0 386.543 1.072 20 0 GDADRO COC[C@]1(C(=O)NC[C@H](C)Oc2ccccc2Br)C[NH2+]CCO1 ZINC000876683914 656624110 /nfs/dbraw/zinc/62/41/10/656624110.db2.gz ZGTSWQPPWHMKOI-LRDDRELGSA-N 1 0 387.274 1.338 20 0 GDADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCn3c(Br)cnc3C2)c1 ZINC000876898281 656638105 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375.907 1.473 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000877100783 656653277 /nfs/dbraw/zinc/65/32/77/656653277.db2.gz BUURTFUJVKZTRF-NSHDSACASA-N 1 0 377.304 1.809 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000877114878 656654344 /nfs/dbraw/zinc/65/43/44/656654344.db2.gz ANXGRVYTGHSLPC-IEWAYXNBSA-N 1 0 383.539 1.177 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877116409 656654379 /nfs/dbraw/zinc/65/43/79/656654379.db2.gz WRFGWBDKWDBEMP-HNNXBMFYSA-N 1 0 398.301 1.228 20 0 GDADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877128424 656655236 /nfs/dbraw/zinc/65/52/36/656655236.db2.gz BDRMSNHPSFLESC-CABCVRRESA-N 1 0 391.295 1.960 20 0 GDADRO [NH3+][C@H](CC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1)C1CC1 ZINC000877124043 656655272 /nfs/dbraw/zinc/65/52/72/656655272.db2.gz SBWKCUSOPKTHGF-OAHLLOKOSA-N 1 0 380.286 1.747 20 0 GDADRO Brc1cnc2c(C[NH2+]C[C@H]3COC4(CCOCC4)O3)cnn2c1 ZINC000877142173 656656333 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376.400 1.040 20 0 GDADRO CC(C)C(=O)Nc1nc(CC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cs1 ZINC000877359303 656669440 /nfs/dbraw/zinc/66/94/40/656669440.db2.gz HKTMBBRFEHLBCT-GXSJLCMTSA-N 1 0 378.420 1.876 20 0 GDADRO Cc1oc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000877363953 656669803 /nfs/dbraw/zinc/66/98/03/656669803.db2.gz UDNPCLBRMVWGAK-UWVGGRQHSA-N 1 0 383.392 1.048 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877365847 656670770 /nfs/dbraw/zinc/67/07/70/656670770.db2.gz GRRPOFFPDFVUIH-RWMBFGLXSA-N 1 0 385.452 1.176 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)CN2C(=S)N=NC2c2cccs2)C[C@@H]1C(F)(F)F ZINC000877369830 656671713 /nfs/dbraw/zinc/67/17/13/656671713.db2.gz OHFRZVAKVGFWHI-IUCAKERBSA-N 1 0 391.444 1.891 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000877370930 656671800 /nfs/dbraw/zinc/67/18/00/656671800.db2.gz IQKALOXXKSSQLZ-YPMHNXCESA-N 1 0 379.404 1.146 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)CN2C(=S)N=NC2c2cccs2)C[C@@H]1C(F)(F)F ZINC000877369828 656671837 /nfs/dbraw/zinc/67/18/37/656671837.db2.gz OHFRZVAKVGFWHI-BDAKNGLRSA-N 1 0 391.444 1.891 20 0 GDADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccc2ncc(I)n2c1 ZINC000877389794 656672638 /nfs/dbraw/zinc/67/26/38/656672638.db2.gz GKWBWOGQULYOSN-XHDPSFHLSA-N 1 0 396.232 1.953 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C2 ZINC000877378864 656672793 /nfs/dbraw/zinc/67/27/93/656672793.db2.gz CQOGKJWXSDOPHO-GRDNDAEWSA-N 1 0 383.539 1.359 20 0 GDADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cnc1OC ZINC000877424097 656674572 /nfs/dbraw/zinc/67/45/72/656674572.db2.gz FRQOZLNAKKSYRX-KGLIPLIRSA-N 1 0 375.263 1.763 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1Br ZINC000877439446 656674578 /nfs/dbraw/zinc/67/45/78/656674578.db2.gz JUSNITDDKXHSEH-UHFFFAOYSA-N 1 0 391.287 1.217 20 0 GDADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1I ZINC000877727167 656689841 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385.241 1.805 20 0 GDADRO CCO[C@@H](CNC(=O)NC[C@H](O)c1cccc(Br)c1)C[NH+](C)C ZINC000926845738 656780912 /nfs/dbraw/zinc/78/09/12/656780912.db2.gz QSWAUWOXMGORAH-GJZGRUSLSA-N 1 0 388.306 1.748 20 0 GDADRO CC(C)[C@H](O)CC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000879204875 656782327 /nfs/dbraw/zinc/78/23/27/656782327.db2.gz QWDDIIAKXPJDIG-CYBMUJFWSA-N 1 0 390.269 1.610 20 0 GDADRO C[C@H](Sc1nc(CC(=O)NC2CCC(C[NH+](C)C)CC2)cs1)C(N)=O ZINC000879256547 656784821 /nfs/dbraw/zinc/78/48/21/656784821.db2.gz DDTYLLIOGJNLFI-HIFPTAJRSA-N 1 0 384.571 1.888 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000926995673 656786839 /nfs/dbraw/zinc/78/68/39/656786839.db2.gz PGJCARCHZASLPF-UKRRQHHQSA-N 1 0 375.535 1.646 20 0 GDADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000927028395 656787672 /nfs/dbraw/zinc/78/76/72/656787672.db2.gz JKYORQOXQWLYQQ-KFWWJZLASA-N 1 0 392.315 1.664 20 0 GDADRO CC[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(I)cc1 ZINC000927034951 656788279 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1.687 20 0 GDADRO Cn1nc(Br)cc1NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000879642371 656814034 /nfs/dbraw/zinc/81/40/34/656814034.db2.gz OHRFMXBZODLGBY-UHFFFAOYSA-N 1 0 397.277 1.840 20 0 GDADRO COC[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1cccc(Br)c1 ZINC000879663439 656817803 /nfs/dbraw/zinc/81/78/03/656817803.db2.gz ZWMJDHCZMREQIN-CQSZACIVSA-N 1 0 377.304 1.762 20 0 GDADRO OC[C@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H]1CO ZINC000879693400 656819783 /nfs/dbraw/zinc/81/97/83/656819783.db2.gz BTCCXAXLKSIGLD-LOWVWBTDSA-N 1 0 394.693 1.375 20 0 GDADRO CN(C)c1cc[nH+]c(CNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000927708345 656827078 /nfs/dbraw/zinc/82/70/78/656827078.db2.gz PVPHHJJLFQMNIX-UHFFFAOYSA-N 1 0 382.873 1.396 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(I)c(Cl)c1 ZINC000927800255 656839496 /nfs/dbraw/zinc/83/94/96/656839496.db2.gz YKEBEOYZGVTRNY-RNFRBKRXSA-N 1 0 395.628 1.735 20 0 GDADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000927810294 656840571 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C[C@@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC[C@H](C(F)(F)F)O1 ZINC000880060337 656862152 /nfs/dbraw/zinc/86/21/52/656862152.db2.gz PYCLOJAYFZHKHD-RKDXNWHRSA-N 1 0 379.301 1.806 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000880100936 656868848 /nfs/dbraw/zinc/86/88/48/656868848.db2.gz WDKNMIBYKBHSFX-UMNHJUIQSA-N 1 0 379.404 1.443 20 0 GDADRO O=C(CCn1cnc2sccc2c1=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928099824 656872975 /nfs/dbraw/zinc/87/29/75/656872975.db2.gz VHDISQLAJHRELN-UONOGXRCSA-N 1 0 378.523 1.544 20 0 GDADRO CCS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000928100988 656874096 /nfs/dbraw/zinc/87/40/96/656874096.db2.gz VQRUVWWFJBOHCY-DLBZAZTESA-N 1 0 382.551 1.719 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928104890 656875559 /nfs/dbraw/zinc/87/55/59/656875559.db2.gz XNHFBTVFEBPIMI-OLZOCXBDSA-N 1 0 389.568 1.113 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CC[N@H+](CC)C[C@H]2CC)cs1)C(N)=O ZINC000880227561 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GDADRO C[C@@H]1[C@@H](NC(=O)c2ccc3ncc(I)n3c2)CC[N@@H+]1C ZINC000928438578 656901964 /nfs/dbraw/zinc/90/19/64/656901964.db2.gz KDROHPLYUBHDFP-KOLCDFICSA-N 1 0 384.221 1.761 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)CC[N@@H+]1C ZINC000928449603 656902617 /nfs/dbraw/zinc/90/26/17/656902617.db2.gz RDPCHZXXKOATJS-KGLIPLIRSA-N 1 0 385.555 1.991 20 0 GDADRO CCN(C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)[C@H]1CC[N@H+](CC)C1 ZINC000880673587 656904260 /nfs/dbraw/zinc/90/42/60/656904260.db2.gz XMSDBBHPUKEHHD-HIFRSBDPSA-N 1 0 385.555 1.530 20 0 GDADRO C[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000928552493 656915673 /nfs/dbraw/zinc/91/56/73/656915673.db2.gz UXGVWYCTXUXHOW-CQSZACIVSA-N 1 0 393.285 1.340 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928570930 656917299 /nfs/dbraw/zinc/91/72/99/656917299.db2.gz YVTBGHIODFGPTA-TZMCWYRMSA-N 1 0 389.518 1.046 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3nc4c(s3)CS(=O)(=O)CC4)C2)C1 ZINC000881113648 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388.555 1.943 20 0 GDADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000883471650 657289473 /nfs/dbraw/zinc/28/94/73/657289473.db2.gz UJFGSXXPWDUXQT-UHFFFAOYSA-N 1 0 393.309 1.699 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c(Cl)cc21 ZINC000883471420 657289521 /nfs/dbraw/zinc/28/95/21/657289521.db2.gz KPTHBAPXSBAHHT-UHFFFAOYSA-N 1 0 399.822 1.761 20 0 GDADRO COC(=O)CCOc1ccc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)cc1 ZINC000883472155 657290006 /nfs/dbraw/zinc/29/00/06/657290006.db2.gz QBPSSTWVFLGSJO-UHFFFAOYSA-N 1 0 384.376 1.140 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc3c(c1)OCCCO3)C2 ZINC000883481318 657291917 /nfs/dbraw/zinc/29/19/17/657291917.db2.gz GPYROQFIPPIFDI-UHFFFAOYSA-N 1 0 381.479 1.510 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cnn(-c3ccccc3)c1)C2 ZINC000883481601 657292015 /nfs/dbraw/zinc/29/20/15/657292015.db2.gz SKANNTUDTQCMHF-UHFFFAOYSA-N 1 0 375.479 1.535 20 0 GDADRO O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000883584622 657299185 /nfs/dbraw/zinc/29/91/85/657299185.db2.gz TZQFJWSIMNZKQR-GFCCVEGCSA-N 1 0 384.527 1.467 20 0 GDADRO O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000883584274 657299208 /nfs/dbraw/zinc/29/92/08/657299208.db2.gz LWFCTOJBMNOLEP-NWDGAFQWSA-N 1 0 384.527 1.467 20 0 GDADRO C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1CS(N)(=O)=O ZINC000933702589 657300027 /nfs/dbraw/zinc/30/00/27/657300027.db2.gz PGICDHKZVKVTDI-XBFCOCLRSA-N 1 0 380.432 1.465 20 0 GDADRO Cn1ncc(NC(=O)NCC2CC[NH+](C)CC2)c1I ZINC000933731712 657303528 /nfs/dbraw/zinc/30/35/28/657303528.db2.gz FPYBZDFHHAUIQA-UHFFFAOYSA-N 1 0 377.230 1.488 20 0 GDADRO CN(Cc1cscc1Br)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000883642198 657303713 /nfs/dbraw/zinc/30/37/13/657303713.db2.gz GRUISVQOQDUYMT-QWHCGFSZSA-N 1 0 386.315 1.822 20 0 GDADRO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)CCCO1 ZINC000883650253 657304011 /nfs/dbraw/zinc/30/40/11/657304011.db2.gz XAYHADYCAAYGLD-GHMZBOCLSA-N 1 0 377.354 1.345 20 0 GDADRO CC[NH+]1CCC(CNC(=O)Nc2cnn(C)c2I)CC1 ZINC000933732937 657304457 /nfs/dbraw/zinc/30/44/57/657304457.db2.gz WRWLJKSGUISCEC-UHFFFAOYSA-N 1 0 391.257 1.878 20 0 GDADRO C[C@]1(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1(Cl)Cl ZINC000883675752 657305126 /nfs/dbraw/zinc/30/51/26/657305126.db2.gz QUZJWAXNQSZDGW-GOEBONIOSA-N 1 0 393.359 1.666 20 0 GDADRO C[C@H]1CN(C(=O)NCC[S@](=O)CC(F)(F)F)CCN1c1cc[nH+]cc1 ZINC000883716205 657307561 /nfs/dbraw/zinc/30/75/61/657307561.db2.gz DQBHOWZKKKWMGW-VDBVYFBLSA-N 1 0 378.420 1.613 20 0 GDADRO Cn1ncc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c1I ZINC000933736046 657308828 /nfs/dbraw/zinc/30/88/28/657308828.db2.gz AERJEMJWDADIFC-VIFPVBQESA-N 1 0 377.230 1.440 20 0 GDADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cnn(C)c2I)CC[N@@H+]1C ZINC000933737272 657311045 /nfs/dbraw/zinc/31/10/45/657311045.db2.gz PJKMWBOVGXMPPG-VHSXEESVSA-N 1 0 391.257 1.971 20 0 GDADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cnn(C)c1I ZINC000933739309 657312944 /nfs/dbraw/zinc/31/29/44/657312944.db2.gz UAQQVFRWEIFRRQ-VIFPVBQESA-N 1 0 379.246 1.875 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)Nc2ccc3c(c2)C[NH2+]CC3)cs1)C(N)=O ZINC000884031973 657321338 /nfs/dbraw/zinc/32/13/38/657321338.db2.gz FGATYBRDUIUVIJ-SNVBAGLBSA-N 1 0 376.507 1.936 20 0 GDADRO [NH3+][C@H](CC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000884054673 657322169 /nfs/dbraw/zinc/32/21/69/657322169.db2.gz MOWLMYSDUPXDSX-LLVKDONJSA-N 1 0 377.919 1.362 20 0 GDADRO [NH3+][C@H](C(=O)N1CCC[C@H](N2CCNC2=O)C1)c1ccc(Br)cc1 ZINC000884106230 657326046 /nfs/dbraw/zinc/32/60/46/657326046.db2.gz KYIHQKSDCYKYEP-KBPBESRZSA-N 1 0 381.274 1.465 20 0 GDADRO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000934041538 657333576 /nfs/dbraw/zinc/33/35/76/657333576.db2.gz IKQRTYBOGMEZQF-CHWSQXEVSA-N 1 0 390.221 1.623 20 0 GDADRO COCC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000884193493 657333912 /nfs/dbraw/zinc/33/39/12/657333912.db2.gz HJBTVFFQFKRMRU-ZDUSSCGKSA-N 1 0 399.289 1.385 20 0 GDADRO [NH3+][C@H](C(=O)N1CCN(c2cccnn2)CC1)c1ccc(Br)cc1 ZINC000884209638 657334408 /nfs/dbraw/zinc/33/44/08/657334408.db2.gz FWBKTQQBEHQYEQ-HNNXBMFYSA-N 1 0 376.258 1.588 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000934165027 657342792 /nfs/dbraw/zinc/34/27/92/657342792.db2.gz OEKZMKNZEGVMIV-UHFFFAOYSA-N 1 0 384.322 1.277 20 0 GDADRO O=C([C@H]1Cc2ccc(Br)cc2C(=O)O1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000884303908 657344466 /nfs/dbraw/zinc/34/44/66/657344466.db2.gz AGGVBRCNOOIWBW-NILFDRSVSA-N 1 0 379.254 1.741 20 0 GDADRO C[C@@](Cn1cccn1)([NH2+]CCOc1cc(F)cc(Br)c1)C(N)=O ZINC000934221742 657345138 /nfs/dbraw/zinc/34/51/38/657345138.db2.gz SMMBNRHBOXDZOY-HNNXBMFYSA-N 1 0 385.237 1.697 20 0 GDADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCn1cc(Br)cn1 ZINC000884343657 657349030 /nfs/dbraw/zinc/34/90/30/657349030.db2.gz HJQLYWQQLOEMSZ-CYBMUJFWSA-N 1 0 393.289 1.961 20 0 GDADRO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CCC2(CC[NH2+]2)CC1 ZINC000884347451 657349460 /nfs/dbraw/zinc/34/94/60/657349460.db2.gz UDNDLPBKQTUPMI-AWEZNQCLSA-N 1 0 379.254 1.885 20 0 GDADRO CC1(C)[C@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)C[C@@H]1[NH3+] ZINC000884351821 657349876 /nfs/dbraw/zinc/34/98/76/657349876.db2.gz WUCIIEXZJVESMM-QWHCGFSZSA-N 1 0 386.265 1.950 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cc(Cl)ncc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000934308524 657352049 /nfs/dbraw/zinc/35/20/49/657352049.db2.gz YSJPWNZSTQPGSG-LLVKDONJSA-N 1 0 377.869 1.455 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000884511579 657362154 /nfs/dbraw/zinc/36/21/54/657362154.db2.gz LDWQQDYINQTJAV-BNOWGMLFSA-N 1 0 395.301 1.092 20 0 GDADRO CCN(C(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21)[C@@H]1CC[NH2+]C1 ZINC000884533495 657363352 /nfs/dbraw/zinc/36/33/52/657363352.db2.gz JUWOKRSLRDOMNM-YPMHNXCESA-N 1 0 398.326 1.923 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)C[C@H]1C[NH3+] ZINC000884586764 657366006 /nfs/dbraw/zinc/36/60/06/657366006.db2.gz RVOYDPBGGBJICM-CHWSQXEVSA-N 1 0 394.313 1.650 20 0 GDADRO CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884644527 657368864 /nfs/dbraw/zinc/36/88/64/657368864.db2.gz RWGCLKGOCIYOEF-DGCLKSJQSA-N 1 0 382.555 1.667 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000884689945 657372484 /nfs/dbraw/zinc/37/24/84/657372484.db2.gz FFJWYMIGWCBZBT-UHFFFAOYSA-N 1 0 380.286 1.465 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000884704195 657374135 /nfs/dbraw/zinc/37/41/35/657374135.db2.gz XICXNPUVIWLATK-QMMMGPOBSA-N 1 0 396.207 1.938 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)NCc2ncc(Br)s2)CCC[NH2+]C1 ZINC000884711712 657374430 /nfs/dbraw/zinc/37/44/30/657374430.db2.gz WKXOLXUHIHBZDX-CYBMUJFWSA-N 1 0 375.292 1.028 20 0 GDADRO COC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1cccc(Br)c1 ZINC000884715098 657374471 /nfs/dbraw/zinc/37/44/71/657374471.db2.gz JCYMNQQYSZBTIC-CYBMUJFWSA-N 1 0 384.274 1.250 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCc2ncc(Cl)s2)C2CC3CC(C2)CC1C3 ZINC000884726256 657376232 /nfs/dbraw/zinc/37/62/32/657376232.db2.gz MOHQLJQBXUCMKN-UHFFFAOYSA-N 1 0 382.917 1.683 20 0 GDADRO O=C(NCCc1sccc1Br)C(=O)NCCC1CC[NH2+]CC1 ZINC000884773618 657378981 /nfs/dbraw/zinc/37/89/81/657378981.db2.gz KCSPPLHHMMHNEH-UHFFFAOYSA-N 1 0 388.331 1.675 20 0 GDADRO COC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)c1cccc(Br)c1 ZINC000884782997 657379542 /nfs/dbraw/zinc/37/95/42/657379542.db2.gz VSAAMJOIXZOEMT-CQSZACIVSA-N 1 0 398.301 1.641 20 0 GDADRO C[C@H](CN1CCOCC1)[NH2+][C@@H](CO)c1ccccc1I ZINC000934827573 657380222 /nfs/dbraw/zinc/38/02/22/657380222.db2.gz YXMSLGDWONDAJD-DOMZBBRYSA-N 1 0 390.265 1.635 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000884956764 657390192 /nfs/dbraw/zinc/39/01/92/657390192.db2.gz FTVFMRHJZHMKEM-GJZGRUSLSA-N 1 0 386.539 1.775 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Br)[nH]c1=O ZINC000935018435 657392643 /nfs/dbraw/zinc/39/26/43/657392643.db2.gz NUDLFCYPUFKTOR-KGYLQXTDSA-N 1 0 384.274 1.873 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@](C)(O)c1ccc(F)c(Br)c1 ZINC000935052607 657395617 /nfs/dbraw/zinc/39/56/17/657395617.db2.gz NWFLGIJWQRGAJL-GJZGRUSLSA-N 1 0 377.254 1.225 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1=O ZINC000935108114 657402160 /nfs/dbraw/zinc/40/21/60/657402160.db2.gz UIZFWBMQKZBAKU-UHFFFAOYSA-N 1 0 386.290 1.067 20 0 GDADRO COCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2C)C1 ZINC000885124495 657422452 /nfs/dbraw/zinc/42/24/52/657422452.db2.gz ZRQBXQAXLUWJEH-HNNXBMFYSA-N 1 0 391.331 1.898 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Br)[nH]c1=O ZINC000935699525 657470931 /nfs/dbraw/zinc/47/09/31/657470931.db2.gz VVNAEHGXPPSVCX-NSHDSACASA-N 1 0 384.274 1.875 20 0 GDADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000935768340 657481308 /nfs/dbraw/zinc/48/13/08/657481308.db2.gz WWOZKSYGHWSVLL-UHFFFAOYSA-N 1 0 393.241 1.916 20 0 GDADRO O=C(c1nc(Br)c2ccccn21)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000935980964 657534501 /nfs/dbraw/zinc/53/45/01/657534501.db2.gz NFQMIFDRBHBIIT-NWDGAFQWSA-N 1 0 379.258 1.378 20 0 GDADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(=O)n(C)cc2Br)CC1 ZINC000936064687 657547987 /nfs/dbraw/zinc/54/79/87/657547987.db2.gz UXACXMIBWODKHY-GFCCVEGCSA-N 1 0 398.301 1.473 20 0 GDADRO COC(=O)c1sccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000885845604 657578326 /nfs/dbraw/zinc/57/83/26/657578326.db2.gz NVXNSCXJFCLQSB-GFCCVEGCSA-N 1 0 381.479 1.829 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3sccc3Cl)[C@@H](O)C2)CC[N@@H+]1C ZINC000965941146 657581244 /nfs/dbraw/zinc/58/12/44/657581244.db2.gz JMAMMWLYOANTGN-ASEORRQLSA-N 1 0 385.917 1.433 20 0 GDADRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000886321109 657643275 /nfs/dbraw/zinc/64/32/75/657643275.db2.gz SJOFHQDPMAJVHQ-UHFFFAOYSA-N 1 0 378.397 1.530 20 0 GDADRO O=C1NCCN1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000886323665 657644111 /nfs/dbraw/zinc/64/41/11/657644111.db2.gz DMHUOYFZZPWUBF-UHFFFAOYSA-N 1 0 383.290 1.401 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncc(Cl)s2)CC1 ZINC001003749010 657707516 /nfs/dbraw/zinc/70/75/16/657707516.db2.gz KCXGCYQAQBXXNN-UPJWGTAASA-N 1 0 382.917 2.000 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)c1ncc(Cl)s1 ZINC001004086172 657712226 /nfs/dbraw/zinc/71/22/26/657712226.db2.gz WCKNTYQWRNULFY-UTUOFQBUSA-N 1 0 380.901 1.754 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1Br ZINC000886882635 657716044 /nfs/dbraw/zinc/71/60/44/657716044.db2.gz ZEZLRLQFJDBGRS-NSHDSACASA-N 1 0 393.303 1.444 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2scnc2Cl)C1 ZINC001004362777 657716389 /nfs/dbraw/zinc/71/63/89/657716389.db2.gz VMRHIQXCSHCYFL-LPWJVIDDSA-N 1 0 382.917 2.000 20 0 GDADRO CO[C@H](CS(=O)(=O)N(CC[NH3+])Cc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000886894396 657721190 /nfs/dbraw/zinc/72/11/90/657721190.db2.gz MFPFDZORGUOWOZ-GOEBONIOSA-N 1 0 376.906 1.482 20 0 GDADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2nc(Cl)cs2)C3)CC1 ZINC001005350660 657724244 /nfs/dbraw/zinc/72/42/44/657724244.db2.gz DYNMJUGGIWSTKD-UPJWGTAASA-N 1 0 382.917 2.000 20 0 GDADRO O=S(=O)(c1cccnc1OCC(F)F)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886900762 657726446 /nfs/dbraw/zinc/72/64/46/657726446.db2.gz HGWVXJCTCNNXFR-INIZCTEOSA-N 1 0 375.441 1.880 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000886997324 657733349 /nfs/dbraw/zinc/73/33/49/657733349.db2.gz LAAWVOCGCFFQDD-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO CCN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC)[C@H]1CC[NH2+]C1 ZINC000887007058 657736187 /nfs/dbraw/zinc/73/61/87/657736187.db2.gz BZWUJYSTCMMAEF-VIFPVBQESA-N 1 0 388.251 1.929 20 0 GDADRO C[N@H+](CCCF)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000887136414 657756186 /nfs/dbraw/zinc/75/61/86/657756186.db2.gz SUNOVADTKQJLAK-UHFFFAOYSA-N 1 0 397.925 1.526 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1c1nc(C(F)(F)F)ns1 ZINC001051145598 657765150 /nfs/dbraw/zinc/76/51/50/657765150.db2.gz IZZBJUOWTVZWGX-DBIOUOCHSA-N 1 0 377.436 1.981 20 0 GDADRO C[NH+]1CCN(CCn2cc(-c3csc(N4CCSCC4)n3)nn2)CC1 ZINC000887442946 657783359 /nfs/dbraw/zinc/78/33/59/657783359.db2.gz YNWGVRUBVKUFEH-UHFFFAOYSA-N 1 0 379.559 1.202 20 0 GDADRO [NH3+][C@@H]1CCCN(Cc2cn(C[C@H](O)c3ccccc3Br)nn2)C1 ZINC000887451490 657784178 /nfs/dbraw/zinc/78/41/78/657784178.db2.gz NOOGHHPYMYDRSM-WBMJQRKESA-N 1 0 380.290 1.697 20 0 GDADRO O=C(c1nc(Br)c2ccccn21)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889740273 658025177 /nfs/dbraw/zinc/02/51/77/658025177.db2.gz YAGQTAXVEJZSRI-STQMWFEESA-N 1 0 393.285 1.768 20 0 GDADRO O=C(c1nc(C2CC2)ncc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889741864 658025322 /nfs/dbraw/zinc/02/53/22/658025322.db2.gz GLGFAXWEUFPMCH-KGLIPLIRSA-N 1 0 395.301 1.788 20 0 GDADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889754039 658031166 /nfs/dbraw/zinc/03/11/66/658031166.db2.gz BILBZCHPSSZKSP-GJZGRUSLSA-N 1 0 393.285 1.997 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000889813938 658049990 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CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000898349713 658927982 /nfs/dbraw/zinc/92/79/82/658927982.db2.gz CEPSNEAGDYSLEC-AAEUAGOBSA-N 1 0 398.261 1.031 20 0 GDADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(CCNS(C)(=O)=O)s2)C12CCC2 ZINC000898843770 658961516 /nfs/dbraw/zinc/96/15/16/658961516.db2.gz AUSNUBQVEOVPMG-LSDHHAIUSA-N 1 0 385.555 1.442 20 0 GDADRO CCC1([NH+](C)C)CCN(C(=O)c2c[nH]nc2I)CC1 ZINC000899162828 658990299 /nfs/dbraw/zinc/99/02/99/658990299.db2.gz ARVQEDVSUZAWAH-UHFFFAOYSA-N 1 0 376.242 1.961 20 0 GDADRO CCC1([NH+]2CCC2)CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000899567180 659030551 /nfs/dbraw/zinc/03/05/51/659030551.db2.gz QMXBEFKAMQKFNB-UHFFFAOYSA-N 1 0 385.555 1.893 20 0 GDADRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000899613863 659036053 /nfs/dbraw/zinc/03/60/53/659036053.db2.gz REMSUIMEYHMJQV-HNNXBMFYSA-N 1 0 384.571 1.371 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000899713276 659051240 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Cn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n(C)c1=O ZINC000900419460 659106723 /nfs/dbraw/zinc/10/67/23/659106723.db2.gz YLPXSWINQPEZMB-UHFFFAOYSA-N 1 0 395.301 1.690 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H](O)c2cccc(Br)c2)C1 ZINC000900511674 659117014 /nfs/dbraw/zinc/11/70/14/659117014.db2.gz GIADYLZKXGJSOZ-HIFRSBDPSA-N 1 0 398.301 1.186 20 0 GDADRO Cc1cc(Cn2cc(C[C@H]([NH3+])CO)nn2)c(C)cc1I ZINC000900606423 659126740 /nfs/dbraw/zinc/12/67/40/659126740.db2.gz ZUSDATDYTDSFJP-LBPRGKRZSA-N 1 0 386.237 1.410 20 0 GDADRO [NH3+][C@H](c1cn(Cc2n[nH]c3c2COCC3)nn1)c1ccc(Br)cc1 ZINC000900650834 659130769 /nfs/dbraw/zinc/13/07/69/659130769.db2.gz UCXAPTCWWXSMBS-INIZCTEOSA-N 1 0 389.257 1.933 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000900688036 659136629 /nfs/dbraw/zinc/13/66/29/659136629.db2.gz WCZFTGDUEUHYBS-CJNGLKHVSA-N 1 0 384.318 1.625 20 0 GDADRO C[NH+](C)C1(CNC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CCOCC1 ZINC000900713618 659140049 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C[NH+](C)CC1CCN(c2ccccc2NS(=O)(=O)N=S(C)(C)=O)CC1 ZINC000903123317 659295752 /nfs/dbraw/zinc/29/57/52/659295752.db2.gz MAYNNIHNIVKAFM-UHFFFAOYSA-N 1 0 388.559 1.849 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CCC([NH+]4CCC4)CC3)cc2C1 ZINC000903204549 659301755 /nfs/dbraw/zinc/30/17/55/659301755.db2.gz SLDLPMIYZNUUEA-UHFFFAOYSA-N 1 0 383.539 1.512 20 0 GDADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000903267204 659311881 /nfs/dbraw/zinc/31/18/81/659311881.db2.gz BNVOOBWPPTZNLP-KBUPBQIOSA-N 1 0 376.519 1.566 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903288162 659312508 /nfs/dbraw/zinc/31/25/08/659312508.db2.gz JJRBZLBQZAKHED-AWEZNQCLSA-N 1 0 389.543 1.013 20 0 GDADRO CO[C@]1(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)CCS(=O)(=O)C1 ZINC000903367362 659314020 /nfs/dbraw/zinc/31/40/20/659314020.db2.gz IBXJNHORXSVDHV-ABAIWWIYSA-N 1 0 375.878 1.245 20 0 GDADRO CO[C@]1(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)CCS(=O)(=O)C1 ZINC000903367364 659314599 /nfs/dbraw/zinc/31/45/99/659314599.db2.gz IBXJNHORXSVDHV-NHYWBVRUSA-N 1 0 375.878 1.245 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@](C)(C[NH3+])C(C)C ZINC000903493631 659317821 /nfs/dbraw/zinc/31/78/21/659317821.db2.gz SHHZSFHLGAJQKP-CQSZACIVSA-N 1 0 393.303 1.887 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)NCC1=CC[NH2+]CC1 ZINC000903517601 659324761 /nfs/dbraw/zinc/32/47/61/659324761.db2.gz GAELWTHKRJZSPU-UHFFFAOYSA-N 1 0 389.271 1.517 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N(C)CCOCC[NH3+])c1F ZINC000903524851 659329252 /nfs/dbraw/zinc/32/92/52/659329252.db2.gz BUYBTYSPNWLTJY-UHFFFAOYSA-N 1 0 385.255 1.193 20 0 GDADRO CC(=O)Nc1cc(C)c(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000903529552 659330842 /nfs/dbraw/zinc/33/08/42/659330842.db2.gz JTDWNGVGFDVIGH-NOZJJQNGSA-N 1 0 390.303 1.602 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000903529796 659330912 /nfs/dbraw/zinc/33/09/12/659330912.db2.gz YDXKAVDEPVYQED-PSASIEDQSA-N 1 0 379.276 1.353 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903536699 659332359 /nfs/dbraw/zinc/33/23/59/659332359.db2.gz HOXBKSYVLIHZFL-WMLDXEAASA-N 1 0 386.539 1.599 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1c(Cl)nc2ccccn21 ZINC000903545529 659336172 /nfs/dbraw/zinc/33/61/72/659336172.db2.gz SMRWPIYWQXENIA-LBPRGKRZSA-N 1 0 384.889 1.425 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)Cc1ccc(F)c(Cl)c1)C2 ZINC000903551603 659338371 /nfs/dbraw/zinc/33/83/71/659338371.db2.gz RTWNYKFDPZDRIP-OZVIIMIRSA-N 1 0 390.864 1.521 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1ccc(Cl)c(F)c1)C2 ZINC000903552277 659338791 /nfs/dbraw/zinc/33/87/91/659338791.db2.gz LEXDFBMYTAWNJN-WMFXKJRFSA-N 1 0 376.837 1.380 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1csc3ccccc31)C2 ZINC000903552428 659338994 /nfs/dbraw/zinc/33/89/94/659338994.db2.gz MXNWYASJFFWEGI-JKDFXYPNSA-N 1 0 380.491 1.802 20 0 GDADRO CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000903554191 659339530 /nfs/dbraw/zinc/33/95/30/659339530.db2.gz JLMUQIGZWOSKSQ-GFCCVEGCSA-N 1 0 379.404 1.255 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)s1 ZINC000903557656 659340479 /nfs/dbraw/zinc/34/04/79/659340479.db2.gz GCCTUDVKEVITEZ-UHFFFAOYSA-N 1 0 387.527 1.457 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1C(F)(F)F ZINC000903560357 659340738 /nfs/dbraw/zinc/34/07/38/659340738.db2.gz AYBLCAJHCUMMON-ZEGGKSINSA-N 1 0 378.372 1.663 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000903561158 659341145 /nfs/dbraw/zinc/34/11/45/659341145.db2.gz SKOZOEIQKVMUAK-MVWJERBFSA-N 1 0 389.271 1.407 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903570617 659344694 /nfs/dbraw/zinc/34/46/94/659344694.db2.gz TWOCUIJXKNQOOD-RNFRBKRXSA-N 1 0 388.389 1.053 20 0 GDADRO Cn1c(Cl)ncc1S(=O)(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903573745 659346140 /nfs/dbraw/zinc/34/61/40/659346140.db2.gz LONORGDTRXPQRU-WBMJQRKESA-N 1 0 382.873 1.608 20 0 GDADRO COc1cc(C)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1OC ZINC000903578202 659349161 /nfs/dbraw/zinc/34/91/61/659349161.db2.gz CXGPFNJPFXYZTM-GHMZBOCLSA-N 1 0 382.404 1.912 20 0 GDADRO CC(=O)Nc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1C ZINC000903578558 659349564 /nfs/dbraw/zinc/34/95/64/659349564.db2.gz IAMGGNAFISZGQQ-STQMWFEESA-N 1 0 379.404 1.854 20 0 GDADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903578780 659349825 /nfs/dbraw/zinc/34/98/25/659349825.db2.gz JMDNWFZDJYJVQQ-KOLCDFICSA-N 1 0 384.351 1.513 20 0 GDADRO Cc1c(C(=O)N(C)C)occ1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903579506 659350248 /nfs/dbraw/zinc/35/02/48/659350248.db2.gz OFAZOWBOWTVOPP-ZJUUUORDSA-N 1 0 383.392 1.190 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C2 ZINC000903579450 659350260 /nfs/dbraw/zinc/35/02/60/659350260.db2.gz MCBQHBMAAKOCOR-UMNHJUIQSA-N 1 0 377.388 1.688 20 0 GDADRO COC(=O)c1ccc(F)cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903580366 659351136 /nfs/dbraw/zinc/35/11/36/659351136.db2.gz UIYREPZXVYSKKK-MNOVXSKESA-N 1 0 384.351 1.513 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CC[C@@H]1C(F)(F)F ZINC000903580358 659351213 /nfs/dbraw/zinc/35/12/13/659351213.db2.gz UHLGHKBQWKMCBY-NKWVEPMBSA-N 1 0 388.824 1.949 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1C ZINC000903580867 659351392 /nfs/dbraw/zinc/35/13/92/659351392.db2.gz YTMSWWKDKNQHTJ-CHWSQXEVSA-N 1 0 380.388 1.682 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903581476 659352304 /nfs/dbraw/zinc/35/23/04/659352304.db2.gz MOVMAWQKHRQVHV-NKWVEPMBSA-N 1 0 380.314 1.339 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000903585519 659354227 /nfs/dbraw/zinc/35/42/27/659354227.db2.gz POCYVELAQXBHGU-HZMBPMFUSA-N 1 0 377.388 1.689 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1F ZINC000903587114 659354562 /nfs/dbraw/zinc/35/45/62/659354562.db2.gz PQMNYZBQHLWZGZ-JTQLQIEISA-N 1 0 381.267 1.955 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903586439 659354628 /nfs/dbraw/zinc/35/46/28/659354628.db2.gz GCZZUCSGAKQNLK-GFCCVEGCSA-N 1 0 381.267 1.955 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000903588716 659355425 /nfs/dbraw/zinc/35/54/25/659355425.db2.gz JFTSGUCVDCGHJX-NHYWBVRUSA-N 1 0 387.299 1.886 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(CC[NH2+]C)C(C)C)c1OC ZINC000903591516 659356621 /nfs/dbraw/zinc/35/66/21/659356621.db2.gz ONTUXHQCYZQPIP-UHFFFAOYSA-N 1 0 377.894 1.327 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cc1Br ZINC000903596864 659357866 /nfs/dbraw/zinc/35/78/66/659357866.db2.gz UCKVELVNMUKLSL-AWEZNQCLSA-N 1 0 375.288 1.974 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c1OC ZINC000903609717 659361807 /nfs/dbraw/zinc/36/18/07/659361807.db2.gz MOYBGODTCPFJIG-QFYYESIMSA-N 1 0 387.889 1.129 20 0 GDADRO CCN(CCc1cccs1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903723485 659377890 /nfs/dbraw/zinc/37/78/90/659377890.db2.gz GGNGVAOMHCYVDC-CHWSQXEVSA-N 1 0 377.432 1.877 20 0 GDADRO O=C(C(=O)N1CCS[C@H](C(F)(F)F)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000903766236 659379347 /nfs/dbraw/zinc/37/93/47/659379347.db2.gz ZNMKVJWOXWFXIJ-OLZOCXBDSA-N 1 0 379.448 1.483 20 0 GDADRO Ic1cnn2c1CN(C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903788782 659380331 /nfs/dbraw/zinc/38/03/31/659380331.db2.gz QJEWKYMNTMIXGN-BXUZGUMPSA-N 1 0 388.253 1.072 20 0 GDADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903793627 659381229 /nfs/dbraw/zinc/38/12/29/659381229.db2.gz ZSCLNYZHFQMHHN-KGLIPLIRSA-N 1 0 398.301 1.137 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903802761 659381825 /nfs/dbraw/zinc/38/18/25/659381825.db2.gz XEAYFOZQIHWBIA-DOMZBBRYSA-N 1 0 395.301 1.576 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1Cc1nnnn1-c1ccccc1Br ZINC000903837005 659383435 /nfs/dbraw/zinc/38/34/35/659383435.db2.gz ZNEPRXBZVGQKCZ-LBPRGKRZSA-N 1 0 381.278 1.235 20 0 GDADRO CC(C)n1ncc2cc(C[NH2+]CC[C@@H]3CNCCS3(=O)=O)c(Cl)nc21 ZINC000903968909 659391001 /nfs/dbraw/zinc/39/10/01/659391001.db2.gz PZFPKDUPCFOXFA-CQSZACIVSA-N 1 0 385.921 1.532 20 0 GDADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CNCCS2(=O)=O)C1 ZINC000903970142 659391243 /nfs/dbraw/zinc/39/12/43/659391243.db2.gz QWWOXSBEMCEBLC-HZSPNIEDSA-N 1 0 382.473 1.110 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905010381 659417254 /nfs/dbraw/zinc/41/72/54/659417254.db2.gz GRSPTIOSXHKUKH-QGZVFWFLSA-N 1 0 380.286 1.762 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)cc1 ZINC000905048894 659419256 /nfs/dbraw/zinc/41/92/56/659419256.db2.gz GQYXYRHPVLPVRH-GFCCVEGCSA-N 1 0 390.374 1.975 20 0 GDADRO [NH3+]C1CCN(Cc2cn(C[C@@H](O)c3ccc(Br)cc3)nn2)CC1 ZINC000905062599 659420287 /nfs/dbraw/zinc/42/02/87/659420287.db2.gz ZJMLMZLXKJYOJJ-MRXNPFEDSA-N 1 0 380.290 1.697 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905066633 659420335 /nfs/dbraw/zinc/42/03/35/659420335.db2.gz CWDFYVCYLRYEBR-OAHLLOKOSA-N 1 0 396.340 1.194 20 0 GDADRO CCc1nc(CC[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)cs1 ZINC000905080111 659420750 /nfs/dbraw/zinc/42/07/50/659420750.db2.gz CBLWFTHRQLTFTE-AWEZNQCLSA-N 1 0 389.587 1.839 20 0 GDADRO CCN1CCCC[C@@H]1C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905105498 659424434 /nfs/dbraw/zinc/42/44/34/659424434.db2.gz KUNVGYCRFIOMKP-CVEARBPZSA-N 1 0 375.579 1.452 20 0 GDADRO CO[C@@H](C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C(F)(F)F ZINC000905119501 659425584 /nfs/dbraw/zinc/42/55/84/659425584.db2.gz ZTMKSXKUQVUMQP-MNOVXSKESA-N 1 0 376.441 1.155 20 0 GDADRO CC[C@@](O)(C[NH2+]Cc1cccc(S(=O)(=O)NCCOC)c1)C(F)(F)F ZINC000905125726 659425716 /nfs/dbraw/zinc/42/57/16/659425716.db2.gz BYXHYYUPTSGAMY-CQSZACIVSA-N 1 0 384.420 1.404 20 0 GDADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]C[C@H]2CSCCS2)CC1 ZINC000905158396 659427650 /nfs/dbraw/zinc/42/76/50/659427650.db2.gz FXQGELUECKEYPZ-DGNOSDGRSA-N 1 0 377.572 1.660 20 0 GDADRO CN(CC[NH2+]C[C@@H](O)CC1(CO)CCCC1)S(=O)(=O)c1cccs1 ZINC000905176044 659429776 /nfs/dbraw/zinc/42/97/76/659429776.db2.gz JVYHITRWBNZPLR-AWEZNQCLSA-N 1 0 376.544 1.262 20 0 GDADRO O[C@H](C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1)C[C@]1(O)CCOC1 ZINC000905235611 659435397 /nfs/dbraw/zinc/43/53/97/659435397.db2.gz BWKLAFYXQSYINS-BHYGNILZSA-N 1 0 385.302 1.520 20 0 GDADRO Cc1cc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)ccc1S(N)(=O)=O ZINC000905237704 659435679 /nfs/dbraw/zinc/43/56/79/659435679.db2.gz KEJSFPPLDHHQCH-LLVKDONJSA-N 1 0 376.347 1.681 20 0 GDADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]CC2([S@](C)=O)CCC2)CC1 ZINC000905243751 659436521 /nfs/dbraw/zinc/43/65/21/659436521.db2.gz MBHMSINFQACLGV-XDEXWGPCSA-N 1 0 375.531 1.113 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000905249007 659437097 /nfs/dbraw/zinc/43/70/97/659437097.db2.gz XBVAKFNNZKBISW-SNPRPXQTSA-N 1 0 391.331 1.790 20 0 GDADRO C[C@](O)(C[NH2+]CC(=O)Nc1ccc(I)cc1)C(F)F ZINC000905255526 659437291 /nfs/dbraw/zinc/43/72/91/659437291.db2.gz TWANFKWRMDHZSL-LBPRGKRZSA-N 1 0 384.164 1.835 20 0 GDADRO O=C(CC[NH2+]C[C@@H](O)C1(O)CCOCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000905275608 659439091 /nfs/dbraw/zinc/43/90/91/659439091.db2.gz SSJOJSSCIOOAOV-CQSZACIVSA-N 1 0 377.268 1.814 20 0 GDADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCCC2)c1ccccc1S(=O)(=O)C(F)F ZINC000905351898 659445812 /nfs/dbraw/zinc/44/58/12/659445812.db2.gz OWPPHTZIXURNIF-ZDUSSCGKSA-N 1 0 394.465 1.636 20 0 GDADRO CC(C)[C@H](O)C(C)(C)C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905367996 659448304 /nfs/dbraw/zinc/44/83/04/659448304.db2.gz XBMKFZWUOBPOET-CABCVRRESA-N 1 0 378.579 1.621 20 0 GDADRO O=S1(=O)CCC[C@@H]1CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000905431815 659452513 /nfs/dbraw/zinc/45/25/13/659452513.db2.gz MDUGDKMMVXIJDN-UKRRQHHQSA-N 1 0 392.315 1.746 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)CC1 ZINC000905444929 659453949 /nfs/dbraw/zinc/45/39/49/659453949.db2.gz CACYWASWPNNFJT-ZQIUZPCESA-N 1 0 376.519 1.304 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@H](O)CC2(O)CCCCC2)CCC1 ZINC000905522069 659461674 /nfs/dbraw/zinc/46/16/74/659461674.db2.gz URAOTURDIJQJQY-OAHLLOKOSA-N 1 0 376.563 1.663 20 0 GDADRO NC(=O)CC1CC([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000905534927 659462831 /nfs/dbraw/zinc/46/28/31/659462831.db2.gz WCDGCHIYMDWQBI-LDUAJXOISA-N 1 0 375.238 1.572 20 0 GDADRO C[NH+](C)Cc1ccc(NC(=S)NCCNS(C)(=O)=O)cc1C(F)(F)F ZINC000905598889 659467736 /nfs/dbraw/zinc/46/77/36/659467736.db2.gz WVMNOSXZQUZNLC-UHFFFAOYSA-N 1 0 398.476 1.603 20 0 GDADRO Cn1nnc2c1C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)CC2 ZINC000905635727 659470697 /nfs/dbraw/zinc/47/06/97/659470697.db2.gz ZZZAZPMBEOJMNU-QWHCGFSZSA-N 1 0 381.274 1.464 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cccc(Br)c1)N1CCCC1 ZINC000905664860 659472877 /nfs/dbraw/zinc/47/28/77/659472877.db2.gz OFMRIWQDBBALSJ-AWEZNQCLSA-N 1 0 377.304 1.498 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccccc1Br)N1CCCC1 ZINC000905665563 659473104 /nfs/dbraw/zinc/47/31/04/659473104.db2.gz USHPEVWNPJOAQZ-CQSZACIVSA-N 1 0 377.304 1.498 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1COC(C)(C)C1 ZINC000905699182 659477237 /nfs/dbraw/zinc/47/72/37/659477237.db2.gz XOPXSNBLYFAGGA-CQSZACIVSA-N 1 0 389.539 1.801 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000906072159 659517669 /nfs/dbraw/zinc/51/76/69/659517669.db2.gz LATUKBCJBJJBGG-UPCLLVRISA-N 1 0 386.543 1.745 20 0 GDADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cnc(Br)s1 ZINC000906122929 659522312 /nfs/dbraw/zinc/52/23/12/659522312.db2.gz GYZCFFLTQZXQLQ-ZDUSSCGKSA-N 1 0 378.292 1.325 20 0 GDADRO CCC[N@@H+]1CCC[C@H](C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000906663541 659566554 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721989367 /nfs/dbraw/zinc/98/93/67/721989367.db2.gz RLMVWEDHWJWDLP-QZTJIDSGSA-N 1 0 393.557 1.242 20 0 GDADRO CN(C)S(=O)(=O)N1CC[C@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@@H]2C1 ZINC001164949539 721989659 /nfs/dbraw/zinc/98/96/59/721989659.db2.gz HGMHPGHFDPYENX-DLBZAZTESA-N 1 0 393.557 1.240 20 0 GDADRO C[NH+](C)Cc1ccnc(N2C[C@H](NC(=O)c3cscn3)[C@H]3OCCC[C@@H]32)c1 ZINC001164949241 722001797 /nfs/dbraw/zinc/00/17/97/722001797.db2.gz DCZBDEPJTHQXSV-QILLFSRXSA-N 1 0 387.509 1.766 20 0 GDADRO Cn1cccc1C(=O)N[C@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@@H]2COC[C@H]12 ZINC001164963619 722037683 /nfs/dbraw/zinc/03/76/83/722037683.db2.gz QSPMYUMAWZCMIY-WSTZPKSXSA-N 1 0 395.507 1.648 20 0 GDADRO NC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164959497 722053831 /nfs/dbraw/zinc/05/38/31/722053831.db2.gz LFQAHQWLOVOGHG-UHFFFAOYSA-N 1 0 382.468 1.090 20 0 GDADRO Cc1cc(NC(=O)c2cccnc2N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)no1 ZINC001164967030 722075430 /nfs/dbraw/zinc/07/54/30/722075430.db2.gz KINPNKDYIHDUCT-IYBDPMFKSA-N 1 0 383.452 1.930 20 0 GDADRO Cn1cc(N2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3C2=O)cn1 ZINC001164975402 722095267 /nfs/dbraw/zinc/09/52/67/722095267.db2.gz GBOWSAHNTBVPQC-SJLPKXTDSA-N 1 0 396.495 1.389 20 0 GDADRO O=C1Cc2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2N1 ZINC001164986496 722104127 /nfs/dbraw/zinc/10/41/27/722104127.db2.gz ZDMFVGBCHJJIPC-APWZRJJASA-N 1 0 379.464 1.699 20 0 GDADRO COC(=O)Cc1cccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972551 722113829 /nfs/dbraw/zinc/11/38/29/722113829.db2.gz FYOPWNBIAFYGHH-UYAOXDASSA-N 1 0 396.491 1.919 20 0 GDADRO CN(C)c1nc(Cl)cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165000629 722250511 /nfs/dbraw/zinc/25/05/11/722250511.db2.gz HWJMSNHPASHOJU-UHFFFAOYSA-N 1 0 393.923 1.881 20 0 GDADRO COc1cnnc(Cl)c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002641 722253316 /nfs/dbraw/zinc/25/33/16/722253316.db2.gz RSCUMXYJMXWFQL-UHFFFAOYSA-N 1 0 380.880 1.824 20 0 GDADRO CCn1cnc2c1ncnc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004943 722256421 /nfs/dbraw/zinc/25/64/21/722256421.db2.gz YCWOXAAAQIWISB-UHFFFAOYSA-N 1 0 384.488 1.531 20 0 GDADRO Cn1cc([C@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cn1 ZINC000737603882 945100625 /nfs/dbraw/zinc/10/06/25/945100625.db2.gz GHSNNENSJFCYTB-WMLDXEAASA-N 1 0 378.440 1.195 20 0 GDADRO O=C(CC[N@H+]1CC[C@H](CCO)C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737836582 945134805 /nfs/dbraw/zinc/13/48/05/945134805.db2.gz CCJPZNIYJYUFPQ-LLVKDONJSA-N 1 0 376.486 1.450 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000737034341 944937958 /nfs/dbraw/zinc/93/79/58/944937958.db2.gz ZHMLGSYROFFWEN-DZGCQCFKSA-N 1 0 388.472 1.633 20 0 GDADRO Cc1cc(C)c(-c2nn[nH]n2)c(SCC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000737239631 945017162 /nfs/dbraw/zinc/01/71/62/945017162.db2.gz DUEDVHIJAQKJEB-UHFFFAOYSA-N 1 0 389.529 1.960 20 0 GDADRO C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820351602 945425503 /nfs/dbraw/zinc/42/55/03/945425503.db2.gz PYRKUSZUTFIVOD-MAUKXSAKSA-N 1 0 398.515 1.349 20 0 GDADRO CN(C[C@@H]1CCCCN1C(=O)c1csnn1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571261667 945429745 /nfs/dbraw/zinc/42/97/45/945429745.db2.gz ICLPGQHKNXPQDW-NSHDSACASA-N 1 0 385.457 1.244 20 0 GDADRO Cc1cc(N2CCC(N(C)C(=O)C[C@H]3CCCO3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264134 945475578 /nfs/dbraw/zinc/47/55/78/945475578.db2.gz GWHCVCBLHQPTSY-OAHLLOKOSA-N 1 0 385.472 1.566 20 0 GDADRO C[N@H+](C[C@@H]1C[C@]12CCOC2)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571264696 945489441 /nfs/dbraw/zinc/48/94/41/945489441.db2.gz UOFGCOBVHSFFRQ-LIRRHRJNSA-N 1 0 385.472 1.158 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)C[N@@H+]1C1CC1 ZINC000820657436 945510356 /nfs/dbraw/zinc/51/03/56/945510356.db2.gz KZQQVLHVWHHFPO-CABCVRRESA-N 1 0 396.499 1.324 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCCCO1 ZINC001571265971 945525775 /nfs/dbraw/zinc/52/57/75/945525775.db2.gz LXPOONFSRCNBHX-ZNMIVQPWSA-N 1 0 385.472 1.443 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@H]1C[C@@]12CCOC2 ZINC001571268597 945600227 /nfs/dbraw/zinc/60/02/27/945600227.db2.gz IFWYRVJJRKARKY-DEXNDLTESA-N 1 0 386.431 1.169 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc(-c2nn[nH]n2)cc1OC ZINC000820995227 945609170 /nfs/dbraw/zinc/60/91/70/945609170.db2.gz OMIBWUWSVCMMDR-CABCVRRESA-N 1 0 386.456 1.339 20 0 GDADRO O=C([C@H]1CC12CC2)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571269040 945612167 /nfs/dbraw/zinc/61/21/67/945612167.db2.gz NAXXYEOISNFJGT-DZGCQCFKSA-N 1 0 386.431 1.123 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571269400 945619521 /nfs/dbraw/zinc/61/95/21/945619521.db2.gz XKEBSTFDJYUEEZ-ZJPZJRRFSA-N 1 0 386.431 1.310 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)[C@@H]1C ZINC001571271576 945644094 /nfs/dbraw/zinc/64/40/94/945644094.db2.gz DTTLNNJVHSPDSJ-RISCZKNCSA-N 1 0 386.485 1.743 20 0 GDADRO CCCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cs1 ZINC001571271555 945644741 /nfs/dbraw/zinc/64/47/41/945644741.db2.gz DJYSPMWEYCKFRA-PHIMTYICSA-N 1 0 386.485 1.654 20 0 GDADRO CCn1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001571271669 945648074 /nfs/dbraw/zinc/64/80/74/945648074.db2.gz GZSOMKDQEHZAGI-HAQNSBGRSA-N 1 0 386.485 1.443 20 0 GDADRO Cc1cnn(CCC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571271671 945648809 /nfs/dbraw/zinc/64/88/09/945648809.db2.gz GZVLOWAVFLMWLA-CYBMUJFWSA-N 1 0 386.485 1.214 20 0 GDADRO Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](C)C2)s1 ZINC001571271845 945651891 /nfs/dbraw/zinc/65/18/91/945651891.db2.gz KXIPZMRJJNURGR-GXFFZTMASA-N 1 0 386.485 1.743 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C(C)(C)C ZINC001571271850 945652751 /nfs/dbraw/zinc/65/27/51/945652751.db2.gz KXLKZZUQROHTPN-WMLDXEAASA-N 1 0 386.500 1.866 20 0 GDADRO CC(C)[C@@H](O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571272092 945656218 /nfs/dbraw/zinc/65/62/18/945656218.db2.gz PCLQKYWEEZROSL-UWWQBHOKSA-N 1 0 386.500 1.600 20 0 GDADRO O=C(Cc1cnc[nH]1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272104 945656984 /nfs/dbraw/zinc/65/69/84/945656984.db2.gz PISRBROIADOEQX-GFCCVEGCSA-N 1 0 386.485 1.222 20 0 GDADRO CCn1cnc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571272577 945665903 /nfs/dbraw/zinc/66/59/03/945665903.db2.gz XGGSWGRTBPJVFV-KRWDZBQOSA-N 1 0 386.485 1.539 20 0 GDADRO Cc1nc(N[C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)ccc1-c1nn[nH]n1 ZINC001571272726 945669176 /nfs/dbraw/zinc/66/91/76/945669176.db2.gz YQDGXVXLDAYZIA-PBHICJAKSA-N 1 0 386.504 1.559 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H](C)CO3)C2)cc1-c1nn[nH]n1 ZINC001571275814 945716099 /nfs/dbraw/zinc/71/60/99/945716099.db2.gz CYJGZWZKGQNTCV-GDLHICMESA-N 1 0 386.456 1.037 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2F)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571276615 945734563 /nfs/dbraw/zinc/73/45/63/945734563.db2.gz IMLUKRKYFDXGPE-YPFXGUDJSA-N 1 0 387.394 1.771 20 0 GDADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000821626830 945755960 /nfs/dbraw/zinc/75/59/60/945755960.db2.gz ARATWFIZXCSICH-UHFFFAOYSA-N 1 0 383.481 1.928 20 0 GDADRO COC(=O)/C(C)=C/C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821639134 945765160 /nfs/dbraw/zinc/76/51/60/945765160.db2.gz QJWNZPUOPDYMAA-AWNIVKPZSA-N 1 0 384.440 1.637 20 0 GDADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC001571279432 945777889 /nfs/dbraw/zinc/77/78/89/945777889.db2.gz ONGJAPCRUBQZAO-HIFRSBDPSA-N 1 0 387.440 1.865 20 0 GDADRO CC1(C)CO[C@H](C[N@@H+]2CCC[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001571281201 945801779 /nfs/dbraw/zinc/80/17/79/945801779.db2.gz FGFLGRXUCHHLCT-HIFRSBDPSA-N 1 0 387.488 1.452 20 0 GDADRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2nncs2)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571281696 945808674 /nfs/dbraw/zinc/80/86/74/945808674.db2.gz LXXDLDZRDDZUDX-XYPYZODXSA-N 1 0 387.473 1.125 20 0 GDADRO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000821690034 945817371 /nfs/dbraw/zinc/81/73/71/945817371.db2.gz WRSIZTBJTZSQBQ-KBXCAEBGSA-N 1 0 399.499 1.507 20 0 GDADRO CCc1ncoc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281972 945824096 /nfs/dbraw/zinc/82/40/96/945824096.db2.gz QIXMCFWSCHMXQQ-PHIMTYICSA-N 1 0 387.469 1.777 20 0 GDADRO Cc1ncc(CC(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)o1 ZINC001571282197 945831078 /nfs/dbraw/zinc/83/10/78/945831078.db2.gz UFGGIGHMPHIHNI-IINYFYTJSA-N 1 0 387.469 1.404 20 0 GDADRO C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC001571282390 945842527 /nfs/dbraw/zinc/84/25/27/945842527.db2.gz XBZRIIYJEVNXKV-ZFWWWQNUSA-N 1 0 387.488 1.452 20 0 GDADRO O=C(N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001571282952 945869899 /nfs/dbraw/zinc/86/98/99/945869899.db2.gz WNKJSPVHLLFGIW-XQGOVVGXSA-N 1 0 387.447 1.329 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)c1ccns1 ZINC001571283196 945880189 /nfs/dbraw/zinc/88/01/89/945880189.db2.gz BKBVONAURZLOEI-CNDDSTCGSA-N 1 0 387.494 1.493 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCCO[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001571283556 945886239 /nfs/dbraw/zinc/88/62/39/945886239.db2.gz GHFWVZAYCPSTBT-HNNXBMFYSA-N 1 0 387.488 1.596 20 0 GDADRO CO[C@H](C[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1)C1CCCC1 ZINC001571283934 945893341 /nfs/dbraw/zinc/89/33/41/945893341.db2.gz LHOBBZMDMZNQRZ-QGZVFWFLSA-N 1 0 387.488 1.594 20 0 GDADRO CO[C@@H](C[NH+]1CCC(C)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)C1CCC1 ZINC001571284203 945895635 /nfs/dbraw/zinc/89/56/35/945895635.db2.gz MWEMERXJOLCPGL-INIZCTEOSA-N 1 0 387.488 1.594 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cc(Cl)no1 ZINC001571284385 945899320 /nfs/dbraw/zinc/89/93/20/945899320.db2.gz PHRTUQOFJUFOFB-GFCCVEGCSA-N 1 0 387.831 1.903 20 0 GDADRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2N(C)C)C[C@H](C)O1 ZINC001571284869 945904651 /nfs/dbraw/zinc/90/46/51/945904651.db2.gz VKWHCPNSSWSFOI-GASCZTMLSA-N 1 0 387.532 1.910 20 0 GDADRO Cc1[nH]nc(Cl)c1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001571284664 945906000 /nfs/dbraw/zinc/90/60/00/945906000.db2.gz SFPMYWIGZSCMAC-ONGXEEELSA-N 1 0 387.835 1.084 20 0 GDADRO Cc1oc(NC(=O)CN2CC[N@H+](C3CCCC3)[C@@H](C)C2)c(-c2nn[nH]n2)c1C ZINC001571284886 945906748 /nfs/dbraw/zinc/90/67/48/945906748.db2.gz VSGCDUBQXASJIZ-LBPRGKRZSA-N 1 0 387.488 1.964 20 0 GDADRO C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571287433 945973043 /nfs/dbraw/zinc/97/30/43/945973043.db2.gz DJLQWDRUMWASGL-SPWCGHHHSA-N 1 0 388.447 1.415 20 0 GDADRO CC(C)(O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001571287594 945974813 /nfs/dbraw/zinc/97/48/13/945974813.db2.gz FRZCTBBTRVUXTJ-XJKSGUPXSA-N 1 0 388.447 1.200 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCCOC1 ZINC001571287800 945977318 /nfs/dbraw/zinc/97/73/18/945977318.db2.gz IFRKPWKXLDANPB-LIRRHRJNSA-N 1 0 388.447 1.513 20 0 GDADRO COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)sn1 ZINC001571289721 946016113 /nfs/dbraw/zinc/01/61/13/946016113.db2.gz LDNUSXHTIVYWOS-SNVBAGLBSA-N 1 0 388.457 1.054 20 0 GDADRO Cc1sc(NC(=O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c(-c2nn[nH]n2)c1C ZINC000822556329 946123246 /nfs/dbraw/zinc/12/32/46/946123246.db2.gz BIBYLRUIONBGOK-ZWNOBZJWSA-N 1 0 375.502 1.652 20 0 GDADRO CC(=O)N[C@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(C)C ZINC001573476892 946125797 /nfs/dbraw/zinc/12/57/97/946125797.db2.gz KTEDUDCNFKXBMM-WBMJQRKESA-N 1 0 387.488 1.012 20 0 GDADRO O=C(NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccc2c1OCC2 ZINC001571296208 946187014 /nfs/dbraw/zinc/18/70/14/946187014.db2.gz QMVVNIPTDAOXAU-UHFFFAOYSA-N 1 0 390.447 1.663 20 0 GDADRO Cc1cc(N2C[C@@H]3CN(C(=O)c4ccccn4)C[C@]3(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571298181 946209155 /nfs/dbraw/zinc/20/91/55/946209155.db2.gz BKJOSFPWLJIUSG-VLIAUNLRSA-N 1 0 390.451 1.564 20 0 GDADRO O=C(c1ncccn1)N1CCC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571298421 946215970 /nfs/dbraw/zinc/21/59/70/946215970.db2.gz NNKOVJWRXPRNOW-DLBZAZTESA-N 1 0 390.451 1.393 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001571298758 946228675 /nfs/dbraw/zinc/22/86/75/946228675.db2.gz QOJKJYIXZXUZHF-IUODEOHRSA-N 1 0 390.463 1.493 20 0 GDADRO Cc1nsc(N[C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1-c1nn[nH]n1 ZINC001571299155 946240432 /nfs/dbraw/zinc/24/04/32/946240432.db2.gz JEQFKBFHYVFMOV-LBPRGKRZSA-N 1 0 390.517 1.519 20 0 GDADRO CC(C)[C@H](C(=O)N1CCC[C@H]1CNc1ncc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001571299226 946244595 /nfs/dbraw/zinc/24/45/95/946244595.db2.gz UYXSHFBTSLNFQX-DZGCQCFKSA-N 1 0 390.467 1.390 20 0 GDADRO CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299372 946249143 /nfs/dbraw/zinc/24/91/43/946249143.db2.gz LRWXKYVHQBPBSS-VNHYZAJKSA-N 1 0 390.513 1.681 20 0 GDADRO O=C(C[C@@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571300180 946276286 /nfs/dbraw/zinc/27/62/86/946276286.db2.gz WIXLLGCVMISWTA-UONOGXRCSA-N 1 0 390.513 1.683 20 0 GDADRO Cc1nsc(N2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1-c1nn[nH]n1 ZINC001571300249 946277735 /nfs/dbraw/zinc/27/77/35/946277735.db2.gz XVDMWYFZCBTNCU-OLZOCXBDSA-N 1 0 390.517 1.201 20 0 GDADRO Cc1nsc(N(C)C[C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1-c1nn[nH]n1 ZINC001571300283 946278478 /nfs/dbraw/zinc/27/84/78/946278478.db2.gz YTVUZZGXGKWBKN-QWHCGFSZSA-N 1 0 390.517 1.153 20 0 GDADRO Cc1cnc(C(=O)N[C@@H]2CC23CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC3)cn1 ZINC001571303117 946327521 /nfs/dbraw/zinc/32/75/21/946327521.db2.gz MBXIQDOHDAUALU-MRXNPFEDSA-N 1 0 391.439 1.149 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000823211154 946346076 /nfs/dbraw/zinc/34/60/76/946346076.db2.gz MLGLNQIEUVGJKG-MRXNPFEDSA-N 1 0 385.472 1.515 20 0 GDADRO Cn1cccc1C(=O)N1CCC2(C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001571306521 946402516 /nfs/dbraw/zinc/40/25/16/946402516.db2.gz WQCIJRJRZSSDLX-UHFFFAOYSA-N 1 0 391.479 1.943 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC([C@@H]2C[C@@H]([NH2+]CCF)CCO2)CC1 ZINC001571307062 946416232 /nfs/dbraw/zinc/41/62/32/946416232.db2.gz VGNOCMFSUHNOPZ-HOCLYGCPSA-N 1 0 391.451 1.154 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncc1 ZINC001571307128 946417874 /nfs/dbraw/zinc/41/78/74/946417874.db2.gz XQWQSOFVQJANFO-BEFAXECRSA-N 1 0 391.479 1.974 20 0 GDADRO Cc1cncc(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571307215 946421239 /nfs/dbraw/zinc/42/12/39/946421239.db2.gz ZXHYFOLONMXMPR-GOSISDBHSA-N 1 0 391.479 1.893 20 0 GDADRO O=C([C@@H]1CC1(F)F)N1C[C@@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001571308523 946434084 /nfs/dbraw/zinc/43/40/84/946434084.db2.gz PYVOTMVTRNTARD-ZOWXZIJZSA-N 1 0 392.385 1.551 20 0 GDADRO CCc1ccnc(C(=O)N2CCC(Nc3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)c1 ZINC001571312701 946498962 /nfs/dbraw/zinc/49/89/62/946498962.db2.gz AVILUNNHLQRXOM-UHFFFAOYSA-N 1 0 392.467 1.666 20 0 GDADRO CCc1cccc(C(=O)N2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H](C)C2)n1 ZINC001571312852 946502921 /nfs/dbraw/zinc/50/29/21/946502921.db2.gz DTSJEXXGMJWJFB-BBRMVZONSA-N 1 0 392.467 1.604 20 0 GDADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC001571313040 946509666 /nfs/dbraw/zinc/50/96/66/946509666.db2.gz IKOUDWANFGSTHR-MRXNPFEDSA-N 1 0 392.467 1.814 20 0 GDADRO CC(=O)NCC1CC[NH+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000823993842 946534492 /nfs/dbraw/zinc/53/44/92/946534492.db2.gz AOCKNHJIMXAGJZ-GOSISDBHSA-N 1 0 397.483 1.210 20 0 GDADRO CCn1cnc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)c1 ZINC001571313831 946534618 /nfs/dbraw/zinc/53/46/18/946534618.db2.gz WYBAFESWRCWHHE-CRAIPNDOSA-N 1 0 392.467 1.430 20 0 GDADRO CN(C)c1ccc(C(=O)NC[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001571313887 946535916 /nfs/dbraw/zinc/53/59/16/946535916.db2.gz XQEBTDXHVQCIDW-CTYIDZIISA-N 1 0 392.467 1.370 20 0 GDADRO Cc1cc(N[C@@H]2CCC[C@@H]3CN(C(=O)c4cc[nH]c4)C[C@H]32)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314735 946541929 /nfs/dbraw/zinc/54/19/29/946541929.db2.gz BSDXTAZQTNBWFW-DJIMGWMZSA-N 1 0 392.467 1.673 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)cnn1 ZINC001571315472 946556522 /nfs/dbraw/zinc/55/65/22/946556522.db2.gz LQVVBJJYRZVLAK-INIZCTEOSA-N 1 0 392.467 1.607 20 0 GDADRO Cc1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2ccc(-c4nn[nH]n4)cc2)CC3)[nH]n1 ZINC001571316137 946566122 /nfs/dbraw/zinc/56/61/22/946566122.db2.gz UVIDEIQKYHRFGP-PXNSSMCTSA-N 1 0 392.467 1.825 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)cnn1 ZINC001571316295 946571944 /nfs/dbraw/zinc/57/19/44/946571944.db2.gz YOGDDOJOUXXTTD-SFHVURJKSA-N 1 0 392.467 1.750 20 0 GDADRO O=C(CCc1ccncn1)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316395 946573956 /nfs/dbraw/zinc/57/39/56/946573956.db2.gz BJGXMLIVNONAGA-MRXNPFEDSA-N 1 0 392.467 1.228 20 0 GDADRO Cn1cc(C(=O)N[C@H]2CC23CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC3)cn1 ZINC001571316651 946584734 /nfs/dbraw/zinc/58/47/34/946584734.db2.gz JGAYKBJEVJGYTF-KRWDZBQOSA-N 1 0 392.467 1.385 20 0 GDADRO O=C(CNc1ccc(-c2nn[nH]n2)cn1)NCc1ccccc1C[NH+]1CCCC1 ZINC001571316870 946588949 /nfs/dbraw/zinc/58/89/49/946588949.db2.gz ORNNDYRZUFOCOP-UHFFFAOYSA-N 1 0 392.467 1.586 20 0 GDADRO Cc1cncc(C[N@@H+]2C[C@@H]3CCCN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)c1 ZINC001571316818 946589197 /nfs/dbraw/zinc/58/91/97/946589197.db2.gz NMSFTWCWCIBKGL-MAUKXSAKSA-N 1 0 392.467 1.635 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824377988 946674591 /nfs/dbraw/zinc/67/45/91/946674591.db2.gz VILRSUVRGSRMCN-LLVKDONJSA-N 1 0 398.920 1.871 20 0 GDADRO C[C@H](CC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[S@@](C)=O ZINC000824400856 946682418 /nfs/dbraw/zinc/68/24/18/946682418.db2.gz LVCHFNZYEJEZOC-IYJVBRSBSA-N 1 0 376.530 1.578 20 0 GDADRO CC(=O)NCc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC001573533580 946716318 /nfs/dbraw/zinc/71/63/18/946716318.db2.gz UAQOGCZYMWQAGS-UHFFFAOYSA-N 1 0 392.467 1.220 20 0 GDADRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1 ZINC001573547261 946831012 /nfs/dbraw/zinc/83/10/12/946831012.db2.gz ZURHZKDQYRRWFC-NSHDSACASA-N 1 0 382.428 1.061 20 0 GDADRO CC(=O)Nc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001573547744 946837715 /nfs/dbraw/zinc/83/77/15/946837715.db2.gz SDRCLXWLGNJXMB-GASCZTMLSA-N 1 0 392.423 1.015 20 0 GDADRO CC(=O)Nc1cccc2c1C[N@H+](C[C@H](O)c1cccc(-c3nn[nH]n3)c1)CC2 ZINC001573548584 946856170 /nfs/dbraw/zinc/85/61/70/946856170.db2.gz PUKCXKBGKMLZQT-IBGZPJMESA-N 1 0 378.436 1.917 20 0 GDADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825066255 947063552 /nfs/dbraw/zinc/06/35/52/947063552.db2.gz AMIYLWCTNKHJJV-HUUCEWRRSA-N 1 0 385.516 1.724 20 0 GDADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2noc(C)c2-c2nn[nH]n2)C1 ZINC000825191419 947112062 /nfs/dbraw/zinc/11/20/62/947112062.db2.gz BQVLPURDTVMBMA-ZDUSSCGKSA-N 1 0 375.477 1.722 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)Cc1noc(C)c1-c1nn[nH]n1)c1ccsc1 ZINC000825407101 947179341 /nfs/dbraw/zinc/17/93/41/947179341.db2.gz YPZWSNDFCRYOEN-CQSZACIVSA-N 1 0 389.485 1.966 20 0 GDADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825417422 947183793 /nfs/dbraw/zinc/18/37/93/947183793.db2.gz ROYZUNGAOJPIRL-UHFFFAOYSA-N 1 0 383.456 1.864 20 0 GDADRO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 ZINC000825465815 947197105 /nfs/dbraw/zinc/19/71/05/947197105.db2.gz RHWSOXYLZHZMGQ-UHFFFAOYSA-N 1 0 396.455 1.486 20 0 GDADRO C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586361 947284422 /nfs/dbraw/zinc/28/44/22/947284422.db2.gz OXGLZXDPAKNVNT-KGLIPLIRSA-N 1 0 387.492 1.180 20 0 GDADRO Cn1cc(CN2CCO[C@H](C[NH+](C)C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825860277 947349580 /nfs/dbraw/zinc/34/95/80/947349580.db2.gz ODCLCQAOLZHJNJ-QGZVFWFLSA-N 1 0 382.472 1.030 20 0 GDADRO CN(C)c1nccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)n1 ZINC000825887049 947355062 /nfs/dbraw/zinc/35/50/62/947355062.db2.gz BWVAJUCVBMTJHV-UHFFFAOYSA-N 1 0 395.471 1.598 20 0 GDADRO C[C@H](C(=O)N(C)CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573593768 947376645 /nfs/dbraw/zinc/37/66/45/947376645.db2.gz VSNODQDEBTVOOD-BBRMVZONSA-N 1 0 387.488 1.395 20 0 GDADRO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573594741 947405781 /nfs/dbraw/zinc/40/57/81/947405781.db2.gz RMXJGMXTNSXQMS-YOEHRIQHSA-N 1 0 380.456 1.357 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1-c1nn[nH]n1 ZINC000826194319 947590783 /nfs/dbraw/zinc/59/07/83/947590783.db2.gz IWVDQAGBEXAPEU-RDJZCZTQSA-N 1 0 383.456 1.697 20 0 GDADRO CS[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1[NH+](C)C ZINC000826227191 947667216 /nfs/dbraw/zinc/66/72/16/947667216.db2.gz NJYVZUNDJSAHST-TZMCWYRMSA-N 1 0 384.456 1.946 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573619754 947670481 /nfs/dbraw/zinc/67/04/81/947670481.db2.gz XQEPWGCXXNQSGJ-NVXWUHKLSA-N 1 0 379.468 1.962 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)n1cccn1 ZINC001573623377 947686187 /nfs/dbraw/zinc/68/61/87/947686187.db2.gz DWBMHHZFOAMPLO-WFASDCNBSA-N 1 0 384.419 1.154 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C(F)(F)F ZINC001573623666 947689409 /nfs/dbraw/zinc/68/94/09/947689409.db2.gz HMTKWZHEJRVCIH-MWLCHTKSSA-N 1 0 386.353 1.895 20 0 GDADRO Cc1c(Cl)cnc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826237676 947697794 /nfs/dbraw/zinc/69/77/94/947697794.db2.gz IFJLLKKJOUEVAG-IUODEOHRSA-N 1 0 390.923 1.686 20 0 GDADRO C/C(=C/C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573362435 947702629 /nfs/dbraw/zinc/70/26/29/947702629.db2.gz KMAGFXRDPZAGFO-OOXMNIKJSA-N 1 0 382.468 1.540 20 0 GDADRO C/C(=C/C(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001573364969 947727802 /nfs/dbraw/zinc/72/78/02/947727802.db2.gz RZQITYKDQDQBRZ-VPLQDYMCSA-N 1 0 381.484 1.999 20 0 GDADRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259018 947747407 /nfs/dbraw/zinc/74/74/07/947747407.db2.gz DXYAJMVDHOUUQU-CQSZACIVSA-N 1 0 394.483 1.823 20 0 GDADRO CC(=O)CCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573367297 947757907 /nfs/dbraw/zinc/75/79/07/947757907.db2.gz BPROUBBZSLCSJJ-GFCCVEGCSA-N 1 0 376.436 1.702 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573367807 947765666 /nfs/dbraw/zinc/76/56/66/947765666.db2.gz ILDGSFNROOUQBV-KDOFPFPSSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@H](C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1ccco1 ZINC001573628948 947767315 /nfs/dbraw/zinc/76/73/15/947767315.db2.gz PIQVPTZKSNVHSB-KBPBESRZSA-N 1 0 381.440 1.873 20 0 GDADRO C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C(F)(F)F ZINC001573629189 947773112 /nfs/dbraw/zinc/77/31/12/947773112.db2.gz RFYXEZFAORKIBU-WDEREUQCSA-N 1 0 383.378 1.675 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573369671 947775899 /nfs/dbraw/zinc/77/58/99/947775899.db2.gz WKDPWGHIROXVRQ-JSGCOSHPSA-N 1 0 390.513 1.872 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573369940 947780380 /nfs/dbraw/zinc/78/03/80/947780380.db2.gz ZWJVWNYPFLWBDI-GASCZTMLSA-N 1 0 383.456 1.509 20 0 GDADRO C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573632034 947808435 /nfs/dbraw/zinc/80/84/35/947808435.db2.gz YCXUPXSSAYRGOV-ZBFHGGJFSA-N 1 0 380.456 1.405 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001573374622 947812136 /nfs/dbraw/zinc/81/21/36/947812136.db2.gz OOBNSWMFJLQYEP-ZFWWWQNUSA-N 1 0 385.472 1.543 20 0 GDADRO CC(=O)CCCC(=O)N[C@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001573375551 947821714 /nfs/dbraw/zinc/82/17/14/947821714.db2.gz ODOUPLTUWOKAEV-MRXNPFEDSA-N 1 0 387.488 1.694 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573376018 947830675 /nfs/dbraw/zinc/83/06/75/947830675.db2.gz VKLFQDNJYRZELT-KRWDZBQOSA-N 1 0 384.484 1.906 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)c1cccs1 ZINC001573638553 947839249 /nfs/dbraw/zinc/83/92/49/947839249.db2.gz PNGYQFTVEADPPY-QWHCGFSZSA-N 1 0 383.481 1.952 20 0 GDADRO C[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1)n1cccn1 ZINC001573654448 947965192 /nfs/dbraw/zinc/96/51/92/947965192.db2.gz QWJLEZJSYJCOAJ-SUMWQHHRSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@@H](C(=O)NC1(CO)CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573664296 948051146 /nfs/dbraw/zinc/05/11/46/948051146.db2.gz SXEVIGVWCKOEIT-CQSZACIVSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)N[C@]1(CO)CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573664254 948051342 /nfs/dbraw/zinc/05/13/42/948051342.db2.gz SNMFWWQRFBZYGI-VBKZILBWSA-N 1 0 384.484 1.356 20 0 GDADRO Cn1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360239 948118482 /nfs/dbraw/zinc/11/84/82/948118482.db2.gz CIDKXDWNTMLLAY-QGZVFWFLSA-N 1 0 390.455 1.696 20 0 GDADRO Cn1cc(C[NH+]2CCC(CC(N)=O)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360536 948123725 /nfs/dbraw/zinc/12/37/25/948123725.db2.gz OJOKTWYGKYCURB-UHFFFAOYSA-N 1 0 380.456 1.355 20 0 GDADRO Cn1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361348 948131815 /nfs/dbraw/zinc/13/18/15/948131815.db2.gz UDRVOZSXHMRTQN-DLBZAZTESA-N 1 0 397.508 1.974 20 0 GDADRO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573679054 948158228 /nfs/dbraw/zinc/15/82/28/948158228.db2.gz HWHIYPLUONJZLL-FZMZJTMJSA-N 1 0 376.436 1.009 20 0 GDADRO CC(=O)N1CC2(CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)[C@H]2COC[C@H]21 ZINC001573426713 948159875 /nfs/dbraw/zinc/15/98/75/948159875.db2.gz PALMJRLPWDYXTN-LSDHHAIUSA-N 1 0 388.497 1.388 20 0 GDADRO C[C@@H](C(=O)NC1CN(Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+]1CCCCCC1 ZINC001573679266 948160796 /nfs/dbraw/zinc/16/07/96/948160796.db2.gz KKJLNCYDJLUVQR-ZDUSSCGKSA-N 1 0 389.529 1.493 20 0 GDADRO CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573432077 948186388 /nfs/dbraw/zinc/18/63/88/948186388.db2.gz CTBXQHSWUOFLHV-TZMCWYRMSA-N 1 0 386.353 1.895 20 0 GDADRO CC(=O)N1CCC([C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CCO2)CC1 ZINC001573434971 948221652 /nfs/dbraw/zinc/22/16/52/948221652.db2.gz UFRQBKYYVSZMEN-IEBWSBKVSA-N 1 0 384.484 1.762 20 0 GDADRO CC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CC1 ZINC001573438555 948238235 /nfs/dbraw/zinc/23/82/35/948238235.db2.gz BPNHYGBFUDRERQ-OAHLLOKOSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC1)[C@H]1CCCO1 ZINC001573692148 948256940 /nfs/dbraw/zinc/25/69/40/948256940.db2.gz MLBPPWDGULAESX-RHSMWYFYSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)C(F)(F)F ZINC001573692575 948267940 /nfs/dbraw/zinc/26/79/40/948267940.db2.gz QSNDPHIACNPZLE-VIFPVBQESA-N 1 0 386.353 1.943 20 0 GDADRO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1CC1 ZINC001573695611 948307865 /nfs/dbraw/zinc/30/78/65/948307865.db2.gz HNWYVEVXKRQYDE-BLVKFPJESA-N 1 0 388.447 1.105 20 0 GDADRO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC1 ZINC001573696519 948328434 /nfs/dbraw/zinc/32/84/34/948328434.db2.gz RRZMWLXXZAHZGB-VBKZILBWSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573704907 948386773 /nfs/dbraw/zinc/38/67/73/948386773.db2.gz UTZRUSGEAGVUFW-MNOVXSKESA-N 1 0 383.378 1.793 20 0 GDADRO C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573707570 948434691 /nfs/dbraw/zinc/43/46/91/948434691.db2.gz QDOLCSDNEPVSJS-AWEZNQCLSA-N 1 0 392.467 1.793 20 0 GDADRO C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCCO1)C1CC1 ZINC001573707736 948437433 /nfs/dbraw/zinc/43/74/33/948437433.db2.gz PHLYQKHHSZEHRY-JSGCOSHPSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001573716568 948501488 /nfs/dbraw/zinc/50/14/88/948501488.db2.gz HZAFAUYFIZMNFS-KBPBESRZSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@@H](CCNC(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573718925 948521001 /nfs/dbraw/zinc/52/10/01/948521001.db2.gz UXOGNMQAZUBYBA-RYUDHWBXSA-N 1 0 388.501 1.450 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)C(C)(F)F ZINC001573728649 948564340 /nfs/dbraw/zinc/56/43/40/948564340.db2.gz QFDCFAOJLLYSNB-IJLUTSLNSA-N 1 0 379.415 1.742 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573729515 948570157 /nfs/dbraw/zinc/57/01/57/948570157.db2.gz UKAXCCYEFMMSRE-QLFBSQMISA-N 1 0 380.456 1.443 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@@H]1CCCO1 ZINC001573751558 948702759 /nfs/dbraw/zinc/70/27/59/948702759.db2.gz BKDNKBDZIHMELL-SIUGBPQLSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(F)(F)F ZINC001573753171 948717625 /nfs/dbraw/zinc/71/76/25/948717625.db2.gz RPKPXKQBTAXWGU-UWJYBYFXSA-N 1 0 386.353 1.941 20 0 GDADRO CC(F)(F)C1(C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001575221772 948752415 /nfs/dbraw/zinc/75/24/15/948752415.db2.gz CFAAIPJBOAGAND-NSHDSACASA-N 1 0 377.399 1.379 20 0 GDADRO CC(F)(F)C1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001575222220 948755780 /nfs/dbraw/zinc/75/57/80/948755780.db2.gz GTQTVDCAJMPSIZ-AWEZNQCLSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574679305 948773042 /nfs/dbraw/zinc/77/30/42/948773042.db2.gz SGQHQTHIXBFXFP-ZDUSSCGKSA-N 1 0 387.492 1.228 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncc1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574916931 948797118 /nfs/dbraw/zinc/79/71/18/948797118.db2.gz MPOKQMSLRWFGBL-HNNXBMFYSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574916957 948798551 /nfs/dbraw/zinc/79/85/51/948798551.db2.gz NKCGNFBTLFJVAN-CYBMUJFWSA-N 1 0 383.431 1.628 20 0 GDADRO C[C@H](CNC(=O)CCc1cnccn1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574917090 948806136 /nfs/dbraw/zinc/80/61/36/948806136.db2.gz QQCSTOMYAULEPP-CQSZACIVSA-N 1 0 380.456 1.226 20 0 GDADRO CC(C)[C@H](F)C(=O)NCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001574081070 948815091 /nfs/dbraw/zinc/81/50/91/948815091.db2.gz PDMXAJIJOCFTSE-KRWDZBQOSA-N 1 0 389.479 1.095 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1ccsc1 ZINC001573757301 948833395 /nfs/dbraw/zinc/83/33/95/948833395.db2.gz ZQFIDVJOKOJELR-YZOIGVHSSA-N 1 0 381.465 1.678 20 0 GDADRO CC(C)[C@@H](F)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574081916 948843200 /nfs/dbraw/zinc/84/32/00/948843200.db2.gz XUIVHGYNWVPDPY-DVOMOZLQSA-N 1 0 378.427 1.984 20 0 GDADRO C[C@@H](CNC(=O)CCCc1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574918631 948856737 /nfs/dbraw/zinc/85/67/37/948856737.db2.gz PELWQAXKSDURTF-HNNXBMFYSA-N 1 0 379.468 1.879 20 0 GDADRO C[C@H](CNC(=O)CCCn1cccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574918959 948862183 /nfs/dbraw/zinc/86/21/83/948862183.db2.gz SBUVCPHAHNCQAG-CYBMUJFWSA-N 1 0 386.435 1.277 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1)[NH+]1CCCCC1 ZINC001573763100 948865347 /nfs/dbraw/zinc/86/53/47/948865347.db2.gz AWYACZKVBYHVHH-OAHLLOKOSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H](CNC(=O)CCc1nccs1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920255 948896762 /nfs/dbraw/zinc/89/67/62/948896762.db2.gz GYKRMNDZGZZUCK-SNVBAGLBSA-N 1 0 377.499 1.612 20 0 GDADRO CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574685001 948899126 /nfs/dbraw/zinc/89/91/26/948899126.db2.gz QROBORGBJHCZMQ-NSHDSACASA-N 1 0 380.884 1.562 20 0 GDADRO C[C@@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001574686591 948940126 /nfs/dbraw/zinc/94/01/26/948940126.db2.gz KAZWYKSVJWUXPD-GJZGRUSLSA-N 1 0 386.504 1.833 20 0 GDADRO CC(F)(F)CCC(=O)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575237435 948943413 /nfs/dbraw/zinc/94/34/13/948943413.db2.gz FZQHTMVNTKPBLX-GFCCVEGCSA-N 1 0 386.378 1.008 20 0 GDADRO CC(C)(C(=O)N[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2)C(F)F ZINC001573772090 948952250 /nfs/dbraw/zinc/95/22/50/948952250.db2.gz QHIRSDDCVCBNKC-QWHCGFSZSA-N 1 0 391.426 1.814 20 0 GDADRO CC(C)c1ncncc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574433385 948952471 /nfs/dbraw/zinc/95/24/71/948952471.db2.gz XNJIXYWARTVJAZ-MRXNPFEDSA-N 1 0 392.467 1.784 20 0 GDADRO CC(C)c1ncncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574433323 948953973 /nfs/dbraw/zinc/95/39/73/948953973.db2.gz UOCVXNNFOSIEQJ-MRXNPFEDSA-N 1 0 392.467 1.784 20 0 GDADRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC001574089583 948958422 /nfs/dbraw/zinc/95/84/22/948958422.db2.gz FSKIAOXQDZJFED-SJLPKXTDSA-N 1 0 384.484 1.967 20 0 GDADRO CC(C)(C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+]1CCCC1 ZINC001573772813 948968543 /nfs/dbraw/zinc/96/85/43/948968543.db2.gz FNASNUPXIPJCEO-ZDUSSCGKSA-N 1 0 389.529 1.493 20 0 GDADRO C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574925757 948975818 /nfs/dbraw/zinc/97/58/18/948975818.db2.gz DBQLIPDHIRMQFW-QMMMGPOBSA-N 1 0 384.897 1.378 20 0 GDADRO C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575241206 948975847 /nfs/dbraw/zinc/97/58/47/948975847.db2.gz CPEVXZSCRWYGKG-WDEREUQCSA-N 1 0 385.394 1.630 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575241204 948975962 /nfs/dbraw/zinc/97/59/62/948975962.db2.gz CPEVXZSCRWYGKG-MNOVXSKESA-N 1 0 385.394 1.630 20 0 GDADRO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)C1CC1 ZINC001573773270 948976448 /nfs/dbraw/zinc/97/64/48/948976448.db2.gz IXWZVYPFALGDPC-UONOGXRCSA-N 1 0 390.513 1.416 20 0 GDADRO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1c[nH]cn1 ZINC001573773601 948986437 /nfs/dbraw/zinc/98/64/37/948986437.db2.gz MXXQKTDJMSJAEW-HNNXBMFYSA-N 1 0 380.456 1.258 20 0 GDADRO CC(C)(C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573775233 949036964 /nfs/dbraw/zinc/03/69/64/949036964.db2.gz UOAQQSMVVZWQCI-QGZVFWFLSA-N 1 0 392.467 1.363 20 0 GDADRO C[C@H](CCNc1snc(Cl)c1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574692946 949044553 /nfs/dbraw/zinc/04/45/53/949044553.db2.gz DPSTURHMORESTC-RKDXNWHRSA-N 1 0 384.897 1.378 20 0 GDADRO C[C@H](CN(C)C(=O)C(=O)C(C)(C)C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574694260 949070647 /nfs/dbraw/zinc/07/06/47/949070647.db2.gz MJRKLCKQWPHGGO-LLVKDONJSA-N 1 0 376.436 1.558 20 0 GDADRO C[C@@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574694132 949071118 /nfs/dbraw/zinc/07/11/18/949071118.db2.gz LWEIBGKKHYBMLN-BBRMVZONSA-N 1 0 387.488 1.538 20 0 GDADRO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574093189 949091256 /nfs/dbraw/zinc/09/12/56/949091256.db2.gz UXXVWNHPNJVAIW-VLGRORTASA-N 1 0 384.459 1.844 20 0 GDADRO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1nccnc1-c1nn[nH]n1 ZINC001574694891 949097806 /nfs/dbraw/zinc/09/78/06/949097806.db2.gz XQOCBWVRAVCEAJ-CYBMUJFWSA-N 1 0 387.492 1.180 20 0 GDADRO CC(C)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001574093655 949115564 /nfs/dbraw/zinc/11/55/64/949115564.db2.gz XEWLWZZFAWVFDW-OCABDXPQSA-N 1 0 384.459 1.844 20 0 GDADRO C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575510954 949126243 /nfs/dbraw/zinc/12/62/43/949126243.db2.gz INNHDDUXIXJXJC-CXAGYDPISA-N 1 0 383.456 1.021 20 0 GDADRO C[C@@H](NC(=O)C(F)F)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575251055 949127515 /nfs/dbraw/zinc/12/75/15/949127515.db2.gz KPDWMAPVHFDZSG-PWSUYJOCSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](c1ccccc1)[C@H](O)C[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575512565 949140785 /nfs/dbraw/zinc/14/07/85/949140785.db2.gz OIHYGMMBFNNMLW-SUMWQHHRSA-N 1 0 383.456 1.021 20 0 GDADRO C[C@H](NC(=O)C1(C)CCOCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251722 949145978 /nfs/dbraw/zinc/14/59/78/949145978.db2.gz CAWBTHYBDGELHE-LBPRGKRZSA-N 1 0 390.513 1.681 20 0 GDADRO CC(C)c1ocnc1C[NH2+]C1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574448029 949177142 /nfs/dbraw/zinc/17/71/42/949177142.db2.gz BXMQMGILHDDJKZ-UHFFFAOYSA-N 1 0 384.444 1.604 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001574698192 949180136 /nfs/dbraw/zinc/18/01/36/949180136.db2.gz HCDDGIBDWJHPPB-GJZGRUSLSA-N 1 0 386.504 1.785 20 0 GDADRO CC(C)c1ocnc1C[NH2+]C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001574448878 949193329 /nfs/dbraw/zinc/19/33/29/949193329.db2.gz ODTZPQFKEINMBS-UHFFFAOYSA-N 1 0 384.444 1.701 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574698537 949194207 /nfs/dbraw/zinc/19/42/07/949194207.db2.gz MJAFHXOPXDZHAU-KBPBESRZSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001574698539 949194848 /nfs/dbraw/zinc/19/48/48/949194848.db2.gz MJAFHXOPXDZHAU-UONOGXRCSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575515879 949200437 /nfs/dbraw/zinc/20/04/37/949200437.db2.gz MEJGWXLMPSETPH-OLZOCXBDSA-N 1 0 381.444 1.188 20 0 GDADRO C[C@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574936202 949207785 /nfs/dbraw/zinc/20/77/85/949207785.db2.gz IGDCNYIXTYVOFC-LLVKDONJSA-N 1 0 382.428 1.311 20 0 GDADRO C[C@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574936776 949214963 /nfs/dbraw/zinc/21/49/63/949214963.db2.gz KSYPCTYZJHEUGR-LLVKDONJSA-N 1 0 387.394 1.724 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc(F)cn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574937250 949227085 /nfs/dbraw/zinc/22/70/85/949227085.db2.gz NNEZEVRBCLAEHW-CYBMUJFWSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574699113 949227951 /nfs/dbraw/zinc/22/79/51/949227951.db2.gz SRSSFBFUPDXASH-UONOGXRCSA-N 1 0 382.472 1.405 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574700325 949258729 /nfs/dbraw/zinc/25/87/29/949258729.db2.gz ZOUPMMHKNVDSSU-KGLIPLIRSA-N 1 0 382.472 1.340 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573792737 949264331 /nfs/dbraw/zinc/26/43/31/949264331.db2.gz UUCLBDVBDFDNIX-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO C[C@H](NC(=O)C1=CCOCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575257542 949271421 /nfs/dbraw/zinc/27/14/21/949271421.db2.gz AFTUQQYARONOMH-LBPRGKRZSA-N 1 0 386.431 1.289 20 0 GDADRO CC(C)n1cc(C(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001574452979 949276123 /nfs/dbraw/zinc/27/61/23/949276123.db2.gz UGSFUYKUAFWEBB-ZDUSSCGKSA-N 1 0 381.444 1.035 20 0 GDADRO C[C@@H](c1ncccn1)[N@@H+]1CC[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522546 949280345 /nfs/dbraw/zinc/28/03/45/949280345.db2.gz MOGKVSVGVKZOTB-STQMWFEESA-N 1 0 381.444 1.188 20 0 GDADRO C[C@@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574702642 949284111 /nfs/dbraw/zinc/28/41/11/949284111.db2.gz JUPXNMNJDLQMNC-JTQLQIEISA-N 1 0 383.378 1.675 20 0 GDADRO C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574940940 949286184 /nfs/dbraw/zinc/28/61/84/949286184.db2.gz MORCZAMJOOCHQB-ZDUSSCGKSA-N 1 0 377.452 1.720 20 0 GDADRO CC(C)(C)C(=O)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573793313 949289817 /nfs/dbraw/zinc/28/98/17/949289817.db2.gz OJWBVSOALRLVED-DZGCQCFKSA-N 1 0 384.484 1.856 20 0 GDADRO CC(C)n1ccc(CC(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)n1 ZINC001574941158 949296617 /nfs/dbraw/zinc/29/66/17/949296617.db2.gz BGHDLAKNIVTHIC-CQSZACIVSA-N 1 0 382.472 1.481 20 0 GDADRO CC(C)CC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574109025 949310240 /nfs/dbraw/zinc/31/02/40/949310240.db2.gz UPFZASMTYSRLQA-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)n1ccc(C(=O)NCC=CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n1 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CC(C)(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573831075 949988206 /nfs/dbraw/zinc/98/82/06/949988206.db2.gz SECNTBQOLCTZKL-GOSISDBHSA-N 1 0 392.529 1.808 20 0 GDADRO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNc1cccc(F)c1-c1nn[nH]n1 ZINC001576181413 950002188 /nfs/dbraw/zinc/00/21/88/950002188.db2.gz IDDKUTHVWLHHRQ-KGLIPLIRSA-N 1 0 389.479 1.854 20 0 GDADRO C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576181434 950007023 /nfs/dbraw/zinc/00/70/23/950007023.db2.gz IFWIBEVYKBHLSX-DZGCQCFKSA-N 1 0 381.440 1.416 20 0 GDADRO C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576181453 950007480 /nfs/dbraw/zinc/00/74/80/950007480.db2.gz IGKBAWAISLMRFF-HOCLYGCPSA-N 1 0 386.504 1.500 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cocn1 ZINC001574150343 950024060 /nfs/dbraw/zinc/02/40/60/950024060.db2.gz BKZKOWRRDBJGON-ZDUSSCGKSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)C[C@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 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COUKCTANGVSFKP-MRXNPFEDSA-N 1 0 388.516 1.896 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576184438 950129257 /nfs/dbraw/zinc/12/92/57/950129257.db2.gz WJJUOZXLHNJVCZ-SUMWQHHRSA-N 1 0 381.440 1.885 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cnn(C)c1 ZINC001574153361 950142302 /nfs/dbraw/zinc/14/23/02/950142302.db2.gz SNYQBAGVDJZBJA-MRXNPFEDSA-N 1 0 382.472 1.535 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576185022 950151465 /nfs/dbraw/zinc/15/14/65/950151465.db2.gz YSXFPGMIXYVILX-SMDDNHRTSA-N 1 0 387.469 1.947 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001574494019 950152511 /nfs/dbraw/zinc/15/25/11/950152511.db2.gz WQXNGYSHYYEKQM-YOEHRIQHSA-N 1 0 380.456 1.405 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)CCCOC1 ZINC001575583736 950155579 /nfs/dbraw/zinc/15/55/79/950155579.db2.gz NGWHDGDAGHZQCU-YLJYHZDGSA-N 1 0 384.484 1.764 20 0 GDADRO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574154050 950162502 /nfs/dbraw/zinc/16/25/02/950162502.db2.gz ZZOQJJQYGWMHGY-HNNXBMFYSA-N 1 0 386.504 1.689 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C[NH2+]Cc1ccccn1 ZINC001576190667 950167806 /nfs/dbraw/zinc/16/78/06/950167806.db2.gz CTHWYLZFJADFQC-DZGCQCFKSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCOC1 ZINC001575584389 950171303 /nfs/dbraw/zinc/17/13/03/950171303.db2.gz QISHVFPCAKJTOZ-UZABCXPZSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC001574982773 950182544 /nfs/dbraw/zinc/18/25/44/950182544.db2.gz GTYSTRWEKWNGLV-CYBMUJFWSA-N 1 0 391.439 1.289 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(Cl)cc1F ZINC001574982755 950184483 /nfs/dbraw/zinc/18/44/83/950184483.db2.gz GLAOMMQPVXKCIG-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1cnc[nH]1 ZINC001575899942 950185969 /nfs/dbraw/zinc/18/59/69/950185969.db2.gz BAGAXGDDYLVFPV-BDJLRTHQSA-N 1 0 384.419 1.051 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2csnn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575900060 950188579 /nfs/dbraw/zinc/18/85/79/950188579.db2.gz BOBONKGWSLVSMH-FZMZJTMJSA-N 1 0 384.469 1.501 20 0 GDADRO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1ccc(F)cc1F ZINC001574739514 950194584 /nfs/dbraw/zinc/19/45/84/950194584.db2.gz QQZKFSGMUHIXHT-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cocn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576191407 950197008 /nfs/dbraw/zinc/19/70/08/950197008.db2.gz FWUSPVRJVIIQFH-NEPJUHHUSA-N 1 0 387.469 1.804 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnn(C)c1 ZINC001575900706 950208781 /nfs/dbraw/zinc/20/87/81/950208781.db2.gz HSOMCYRXUGUDKH-BDJLRTHQSA-N 1 0 384.419 1.132 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573845297 950216865 /nfs/dbraw/zinc/21/68/65/950216865.db2.gz VMOFCMHBFYVHCP-IBGZPJMESA-N 1 0 389.504 1.842 20 0 GDADRO CC(C)(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001573845362 950224769 /nfs/dbraw/zinc/22/47/69/950224769.db2.gz YGOOBAUEEIDLOC-IBGZPJMESA-N 1 0 387.488 1.548 20 0 GDADRO CC(C)(C)CC[NH2+][C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573845360 950226501 /nfs/dbraw/zinc/22/65/01/950226501.db2.gz YFUMAAAVTIUCIM-GOSISDBHSA-N 1 0 375.477 1.188 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)CC(C)(C)C ZINC001574497332 950229246 /nfs/dbraw/zinc/22/92/46/950229246.db2.gz ZIJRREXANNYHFU-PBHICJAKSA-N 1 0 388.516 1.896 20 0 GDADRO C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC001574497363 950232973 /nfs/dbraw/zinc/23/29/73/950232973.db2.gz ZRYXYFFPZXJZLF-XJKSGUPXSA-N 1 0 384.440 1.220 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1cnoc1 ZINC001575901486 950234982 /nfs/dbraw/zinc/23/49/82/950234982.db2.gz OJKWRRGCIBUPPK-BDJLRTHQSA-N 1 0 385.403 1.316 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)cc(F)c2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575902424 950260915 /nfs/dbraw/zinc/26/09/15/950260915.db2.gz USHKZZDCRUDCBG-ZUZCIYMTSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccns1 ZINC001575903309 950278942 /nfs/dbraw/zinc/27/89/42/950278942.db2.gz ZRDASXORUKFZLG-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cccn1C ZINC001575904662 950284158 /nfs/dbraw/zinc/28/41/58/950284158.db2.gz AARWLGGPPPFDHG-MLGOLLRUSA-N 1 0 383.431 1.737 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)COC1CCCC1 ZINC001575905148 950291335 /nfs/dbraw/zinc/29/13/35/950291335.db2.gz BLSARXPIHAXNLK-RDTXWAMCSA-N 1 0 384.484 1.905 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001575906008 950304420 /nfs/dbraw/zinc/30/44/20/950304420.db2.gz FUMULADRGNLTEW-ZWNOBZJWSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccn1 ZINC001575906949 950319399 /nfs/dbraw/zinc/31/93/99/950319399.db2.gz LBEBJGHPUYLYFP-NHYWBVRUSA-N 1 0 382.403 1.189 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)COC(C)(C)C ZINC001574159894 950322707 /nfs/dbraw/zinc/32/27/07/950322707.db2.gz ZGJODULKUMFEQW-ZDUSSCGKSA-N 1 0 375.477 1.442 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cccnc1 ZINC001575907741 950342120 /nfs/dbraw/zinc/34/21/20/950342120.db2.gz QBJGAHUJJIPMDQ-SJCJKPOMSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cnsn1 ZINC001575907784 950343631 /nfs/dbraw/zinc/34/36/31/950343631.db2.gz QRIGPJXQMYQCMC-NOZJJQNGSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2nccn2C(F)F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908198 950354530 /nfs/dbraw/zinc/35/45/30/950354530.db2.gz AWNSOBFPCLSYKX-ONGXEEELSA-N 1 0 391.386 1.179 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575908172 950357612 /nfs/dbraw/zinc/35/76/12/950357612.db2.gz ASJFRKHDAWZHFS-MLGOLLRUSA-N 1 0 392.467 1.860 20 0 GDADRO C[C@@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576197278 950393843 /nfs/dbraw/zinc/39/38/43/950393843.db2.gz MOCRLIITMVSATC-ZBFHGGJFSA-N 1 0 384.488 1.395 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCC(Nc3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC001576197903 950395595 /nfs/dbraw/zinc/39/55/95/950395595.db2.gz PJDSNVAIYPWJAU-UHFFFAOYSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575909545 950401304 /nfs/dbraw/zinc/40/13/04/950401304.db2.gz HGBAFXPFKMFLKD-CZUORRHYSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)c2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001576198331 950404283 /nfs/dbraw/zinc/40/42/83/950404283.db2.gz RXTMMMOHTBOOON-CYBMUJFWSA-N 1 0 390.467 1.027 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC(CNc3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001576198810 950415687 /nfs/dbraw/zinc/41/56/87/950415687.db2.gz VPKYFHSRFJALSF-CQSZACIVSA-N 1 0 384.488 1.254 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001573860080 950418694 /nfs/dbraw/zinc/41/86/94/950418694.db2.gz DFVORWILPZHYQH-HZPDHXFCSA-N 1 0 388.472 1.889 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575605344 950457160 /nfs/dbraw/zinc/45/71/60/950457160.db2.gz HPJVDVFZHDJSLR-PJIJBLCYSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@H](CCNc1cccc(F)c1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576204302 950458461 /nfs/dbraw/zinc/45/84/61/950458461.db2.gz NNXWXOLKNKAODG-QWHCGFSZSA-N 1 0 375.452 1.654 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575912216 950461164 /nfs/dbraw/zinc/46/11/64/950461164.db2.gz QPZQOCDMRHRPML-DOMZBBRYSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C(C)(C)C)C1 ZINC001576204536 950465238 /nfs/dbraw/zinc/46/52/38/950465238.db2.gz PYJFRFLNKKZSAI-HIFRSBDPSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CC1CCOCC1 ZINC001575912972 950472078 /nfs/dbraw/zinc/47/20/78/950472078.db2.gz SBRFGFNPIBDDCR-KSSFIOAISA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204972 950488980 /nfs/dbraw/zinc/48/89/80/950488980.db2.gz TTZJSKAKVVGSKU-CJNGLKHVSA-N 1 0 387.463 1.038 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263488510 950489333 /nfs/dbraw/zinc/48/93/33/950489333.db2.gz QGYPVFYEOZTHBF-SFHVURJKSA-N 1 0 376.501 1.942 20 0 GDADRO CC(C)CCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574167996 950499406 /nfs/dbraw/zinc/49/94/06/950499406.db2.gz MPSKJKCNSUBZAP-OAHLLOKOSA-N 1 0 378.452 1.351 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(CNc2ncccc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205281 950510164 /nfs/dbraw/zinc/51/01/64/950510164.db2.gz WGDPOYAWGKGHHH-YJYMSZOUSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CC1OCCCO1 ZINC001575915459 950514014 /nfs/dbraw/zinc/51/40/14/950514014.db2.gz XBPQAASDRWSCBV-CJNGLKHVSA-N 1 0 386.456 1.099 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574753383 950523405 /nfs/dbraw/zinc/52/34/05/950523405.db2.gz LXEOWZGWCFBCLK-LBPRGKRZSA-N 1 0 379.424 1.286 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575609535 950524326 /nfs/dbraw/zinc/52/43/26/950524326.db2.gz XLWHKNXOSDCTQU-UVFQYZLESA-N 1 0 384.484 1.668 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573869263 950562087 /nfs/dbraw/zinc/56/20/87/950562087.db2.gz NKPMEAXTDDAHJS-MRXNPFEDSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575000281 950603519 /nfs/dbraw/zinc/60/35/19/950603519.db2.gz BYVSWZLJURWQDG-ZDUSSCGKSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)CCC[NH+](C)C ZINC001575919096 950605816 /nfs/dbraw/zinc/60/58/16/950605816.db2.gz GFYUHBSXCBZYFF-OCCSQVGLSA-N 1 0 375.452 1.749 20 0 GDADRO CC1CC[NH+](CC(=O)NCCN(c2ccc(-c3nn[nH]n3)nc2)C2CC2)CC1 ZINC001576208043 950606387 /nfs/dbraw/zinc/60/63/87/950606387.db2.gz LMKUFOHIICSKDO-UHFFFAOYSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001576208375 950609452 /nfs/dbraw/zinc/60/94/52/950609452.db2.gz OXHFOGUCVQHHJC-FVQBIDKESA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574758530 950611561 /nfs/dbraw/zinc/61/15/61/950611561.db2.gz CQMVASGSTYQHGF-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575001494 950631011 /nfs/dbraw/zinc/63/10/11/950631011.db2.gz LQVFHIFQASFNPO-CYBMUJFWSA-N 1 0 379.468 1.982 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575001584 950637699 /nfs/dbraw/zinc/63/76/99/950637699.db2.gz WBFXYMJLLGXCBA-SSDOTTSWSA-N 1 0 381.227 1.549 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@H](C(=O)[O-])CC[C@H]3C)cc2)CC1 ZINC001589744242 950646182 /nfs/dbraw/zinc/64/61/82/950646182.db2.gz JHBKPZIJVHMSLM-IAGOWNOFSA-N 1 0 388.512 1.952 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574518254 950649630 /nfs/dbraw/zinc/64/96/30/950649630.db2.gz MWSJYOGDDNIBQC-KMANFZQXSA-N 1 0 384.484 1.809 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccnc(C2CC2)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574760500 950664994 /nfs/dbraw/zinc/66/49/94/950664994.db2.gz VYDKVYXXEJTFNJ-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574760501 950665122 /nfs/dbraw/zinc/66/51/22/950665122.db2.gz VYDKVYXXEJTFNJ-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO CC1(C)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]2CCC[N@H+](CCCF)[C@@H]21 ZINC001575624898 950676469 /nfs/dbraw/zinc/67/64/69/950676469.db2.gz QEEZBQJZOGLZBE-CFVMTHIKSA-N 1 0 375.452 1.773 20 0 GDADRO C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575926266 950704997 /nfs/dbraw/zinc/70/49/97/950704997.db2.gz XDDMSROQTOCDGP-DOMZBBRYSA-N 1 0 387.463 1.749 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575926318 950705076 /nfs/dbraw/zinc/70/50/76/950705076.db2.gz JFUCNNGMXPIBOL-SMDDNHRTSA-N 1 0 378.440 1.216 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1occ2c1CCC2 ZINC001575927314 950738128 /nfs/dbraw/zinc/73/81/28/950738128.db2.gz OZTROQKUHSXWJJ-ABAIWWIYSA-N 1 0 379.424 1.480 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575927617 950746437 /nfs/dbraw/zinc/74/64/37/950746437.db2.gz QWPMZZNISOOACJ-BLLLJJGKSA-N 1 0 390.451 1.671 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001575008773 950756559 /nfs/dbraw/zinc/75/65/59/950756559.db2.gz HTUQDBLVWMSJNL-ZJUUUORDSA-N 1 0 385.432 1.172 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C1=COCCO1 ZINC001574520858 950757212 /nfs/dbraw/zinc/75/72/12/950757212.db2.gz ANJOWZBOECJNKL-RYUDHWBXSA-N 1 0 390.419 1.267 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cncnc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574764723 950758777 /nfs/dbraw/zinc/75/87/77/950758777.db2.gz XGDANHYDUMBFDF-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575927820 950759850 /nfs/dbraw/zinc/75/98/50/950759850.db2.gz VBPBUPZNWISZJM-WBMJQRKESA-N 1 0 390.451 1.671 20 0 GDADRO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575928086 950771296 /nfs/dbraw/zinc/77/12/96/950771296.db2.gz YLBFHFLXZIUZPC-GXFFZTMASA-N 1 0 380.412 1.264 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cn1cccn1 ZINC001574522210 950793143 /nfs/dbraw/zinc/79/31/43/950793143.db2.gz JLNXAISSYWDXRD-QWHCGFSZSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cn1ccnc1 ZINC001574522847 950802479 /nfs/dbraw/zinc/80/24/79/950802479.db2.gz LJSCIBDIMSDRDI-CHWSQXEVSA-N 1 0 386.435 1.275 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576219470 950804224 /nfs/dbraw/zinc/80/42/24/950804224.db2.gz NXYYVCZPNAUDKX-QMTHXVAHSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ocnc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574766271 950812641 /nfs/dbraw/zinc/81/26/41/950812641.db2.gz HONAYYQATOOXDT-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1ccc[nH]1 ZINC001574523426 950812731 /nfs/dbraw/zinc/81/27/31/950812731.db2.gz NMFWAIGLPKHLHD-CHWSQXEVSA-N 1 0 385.447 1.950 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574523462 950813856 /nfs/dbraw/zinc/81/38/56/950813856.db2.gz NUZMFUUIWNJQSX-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575633752 950820307 /nfs/dbraw/zinc/82/03/07/950820307.db2.gz VUOQHOBORLGJOC-HNNXBMFYSA-N 1 0 390.463 1.399 20 0 GDADRO CC1(C)CC(C[NH2+]C2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCOCC2)C1 ZINC001575638451 950831539 /nfs/dbraw/zinc/83/15/39/950831539.db2.gz DGSAFCOUJHTAHC-UHFFFAOYSA-N 1 0 387.488 1.500 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1=CCOCC1 ZINC001574523875 950834479 /nfs/dbraw/zinc/83/44/79/950834479.db2.gz RQAYVQNLLCBTDT-STQMWFEESA-N 1 0 388.447 1.725 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C1(F)CCOCC1 ZINC001574523920 950838855 /nfs/dbraw/zinc/83/88/55/950838855.db2.gz SFPSHOSVQBSTQI-KBPBESRZSA-N 1 0 390.463 1.758 20 0 GDADRO CC1(C)CC(C[N@@H+]2CCCO[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575639219 950855335 /nfs/dbraw/zinc/85/53/35/950855335.db2.gz PUKXEENNNZYHBK-CQSZACIVSA-N 1 0 387.488 1.452 20 0 GDADRO C[C@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)CCC[NH+](C)C ZINC001575935080 950874129 /nfs/dbraw/zinc/87/41/29/950874129.db2.gz UZXBBCFHSKDPSL-FZMZJTMJSA-N 1 0 392.895 1.658 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@@H](O)c1ccccc1F ZINC001575012188 950885263 /nfs/dbraw/zinc/88/52/63/950885263.db2.gz XPBNBHGFFALEKN-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO CC1(C)CC(C[NH+]2CC3(C2)C[C@H](NC(=O)c2ccc(-c4nn[nH]n4)[nH]2)CO3)C1 ZINC001575640276 950891451 /nfs/dbraw/zinc/89/14/51/950891451.db2.gz ZWOVDWDTHVMWLR-ZDUSSCGKSA-N 1 0 385.472 1.204 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574527693 950900339 /nfs/dbraw/zinc/90/03/39/950900339.db2.gz FZLXLRIZRAMAMA-MNOVXSKESA-N 1 0 387.469 1.716 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575641264 950915505 /nfs/dbraw/zinc/91/55/05/950915505.db2.gz CAQFCYJCFMIHIE-SCLBCKFNSA-N 1 0 390.513 1.417 20 0 GDADRO CC1(C)C[C@@H](NC(=O)c2ccon2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575643202 950967743 /nfs/dbraw/zinc/96/77/43/950967743.db2.gz ZSHGEAHTUBRRIR-LBPRGKRZSA-N 1 0 382.428 1.675 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001575938795 950991077 /nfs/dbraw/zinc/99/10/77/950991077.db2.gz NFQUJBFNSNQXJN-HOTGVXAUSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ncccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574530690 950991524 /nfs/dbraw/zinc/99/15/24/950991524.db2.gz VTKOQLWFGXOPFH-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO CC(C)CCC[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574195577 950997549 /nfs/dbraw/zinc/99/75/49/950997549.db2.gz SWKODGIUAFKTHI-GOSISDBHSA-N 1 0 375.477 1.188 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001574774012 950998402 /nfs/dbraw/zinc/99/84/02/950998402.db2.gz AZNXHGCXIBWNQG-UONOGXRCSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574530812 950999984 /nfs/dbraw/zinc/99/99/84/950999984.db2.gz XLCDRCKMQREMIB-VHSXEESVSA-N 1 0 390.473 1.054 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575023824 951082027 /nfs/dbraw/zinc/08/20/27/951082027.db2.gz QAXKXYFOOYQQIQ-JTQLQIEISA-N 1 0 389.822 1.962 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1ccn2C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575027238 951154478 /nfs/dbraw/zinc/15/44/78/951154478.db2.gz DJSYXVKDDRHHQO-GFCCVEGCSA-N 1 0 376.424 1.406 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1OCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575029941 951191021 /nfs/dbraw/zinc/19/10/21/951191021.db2.gz YVIZGUSVDQYDEU-NSHDSACASA-N 1 0 384.465 1.771 20 0 GDADRO C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575035819 951284929 /nfs/dbraw/zinc/28/49/29/951284929.db2.gz MFWPMWACLUJNNK-NSHDSACASA-N 1 0 390.398 1.236 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC001575038540 951323457 /nfs/dbraw/zinc/32/34/57/951323457.db2.gz JXOCSSASURDAGQ-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@H](CNC(=O)c1cnc(Cl)n1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575044286 951412311 /nfs/dbraw/zinc/41/23/11/951412311.db2.gz QVOLJLCNGSHUCK-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C(F)F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575051895 951454813 /nfs/dbraw/zinc/45/48/13/951454813.db2.gz AILWHKMYQFKUCU-QMMMGPOBSA-N 1 0 382.400 1.428 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001575052856 951470761 /nfs/dbraw/zinc/47/07/61/951470761.db2.gz PEVDOXMJFDAHCV-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](CNC(=O)c1cnn2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575053732 951484444 /nfs/dbraw/zinc/48/44/44/951484444.db2.gz DIXAJAWOTLYCBL-LLVKDONJSA-N 1 0 384.419 1.057 20 0 GDADRO C[C@@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056023 951515606 /nfs/dbraw/zinc/51/56/06/951515606.db2.gz DRTCBWXDHURILX-JTQLQIEISA-N 1 0 384.469 1.850 20 0 GDADRO C[C@H](CNC(=O)c1coc(CC2CC2)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575056293 951517802 /nfs/dbraw/zinc/51/78/02/951517802.db2.gz GSZYALYZPFWDQD-NSHDSACASA-N 1 0 382.428 1.102 20 0 GDADRO C[C@H](CNC(=O)c1csc(=O)[nH]1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575058998 951538234 /nfs/dbraw/zinc/53/82/34/951538234.db2.gz XOFRMMUCORKQBD-SECBINFHSA-N 1 0 391.432 1.418 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575062195 951568219 /nfs/dbraw/zinc/56/82/19/951568219.db2.gz VHWQPTVYNREBBZ-GFCCVEGCSA-N 1 0 380.456 1.377 20 0 GDADRO C[C@H](CNC(=O)c1onc2c1CCCC2)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575069893 951647376 /nfs/dbraw/zinc/64/73/76/951647376.db2.gz NBYHEBQJDQYDPS-GFCCVEGCSA-N 1 0 381.440 1.642 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)n1cccn1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077232 951663682 /nfs/dbraw/zinc/66/36/82/951663682.db2.gz AYPNWAKBGJHEQJ-QWHCGFSZSA-N 1 0 386.435 1.305 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)n1cccc1 ZINC001575077744 951674872 /nfs/dbraw/zinc/67/48/72/951674872.db2.gz HFLBFEMOCSLHKZ-ZIAGYGMSSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]CC1CCC(F)(F)CC1 ZINC001575078077 951677099 /nfs/dbraw/zinc/67/70/99/951677099.db2.gz JZSHTOQLECOCNA-NSHDSACASA-N 1 0 381.431 1.976 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ncccc1F ZINC001575078266 951679282 /nfs/dbraw/zinc/67/92/82/951679282.db2.gz KVSMHALLCQAWOX-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)[C@@]1(C)CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078436 951681721 /nfs/dbraw/zinc/68/17/21/951681721.db2.gz LNIMTYHMPRYZNU-SGTLLEGYSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](CNC(=O)Cc1cncs1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078552 951683100 /nfs/dbraw/zinc/68/31/00/951683100.db2.gz KOZMKRHNULLGOK-NSHDSACASA-N 1 0 389.460 1.547 20 0 GDADRO C[C@H](CNC(=O)C1CCOCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079121 951687042 /nfs/dbraw/zinc/68/70/42/951687042.db2.gz LLCLANLPUKESAJ-LBPRGKRZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cncc(F)c1 ZINC001575079083 951687285 /nfs/dbraw/zinc/68/72/85/951687285.db2.gz PQXNLBLIVSPAMR-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1cc(F)ccc1F ZINC001575079462 951691983 /nfs/dbraw/zinc/69/19/83/951691983.db2.gz FDPLJBQINNYTQP-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575079499 951692239 /nfs/dbraw/zinc/69/22/39/951692239.db2.gz QDCMIPAVBYYXBZ-OLZOCXBDSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575081173 951719253 /nfs/dbraw/zinc/71/92/53/951719253.db2.gz PDOHDZDKOFUOJC-IUODEOHRSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](CNC(=O)CC1(O)CCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082736 951738040 /nfs/dbraw/zinc/73/80/40/951738040.db2.gz ZLZJLSVHDNIEPX-GFCCVEGCSA-N 1 0 376.436 1.153 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1ccnnc1)C1CC1 ZINC001575088955 951744704 /nfs/dbraw/zinc/74/47/04/951744704.db2.gz DHJOUYQTQOKQBJ-IBGZPJMESA-N 1 0 378.440 1.345 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)n1cccc1 ZINC001575090352 951760617 /nfs/dbraw/zinc/76/06/17/951760617.db2.gz KUPRERKSVKPTRW-ZIAGYGMSSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1ncc(F)cc1F ZINC001575090336 951761019 /nfs/dbraw/zinc/76/10/19/951761019.db2.gz KPPVLJVSOUOALT-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C1CCOCC1 ZINC001575091410 951775141 /nfs/dbraw/zinc/77/51/41/951775141.db2.gz QQLDNZIGOQPWJT-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575092519 951792107 /nfs/dbraw/zinc/79/21/07/951792107.db2.gz CTLKTYBTVSMTHE-GFCCVEGCSA-N 1 0 388.863 1.353 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1CCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575093438 951800845 /nfs/dbraw/zinc/80/08/45/951800845.db2.gz JMDOKJAIIQVSHI-ZDUSSCGKSA-N 1 0 380.456 1.165 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cn1 ZINC001575100108 951841246 /nfs/dbraw/zinc/84/12/46/951841246.db2.gz QSWAFLCIFQQQTP-GFCCVEGCSA-N 1 0 388.501 1.861 20 0 GDADRO C[C@H](CNC(=O)CCc1cncs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100481 951845888 /nfs/dbraw/zinc/84/58/88/951845888.db2.gz SWRCBBIIGGYTMQ-NSHDSACASA-N 1 0 391.526 1.859 20 0 GDADRO C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102443 951870212 /nfs/dbraw/zinc/87/02/12/951870212.db2.gz NNQYFFZFOBVMPZ-LLVKDONJSA-N 1 0 385.403 1.262 20 0 GDADRO C[C@@H](CNC(=O)c1csnn1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102655 951870617 /nfs/dbraw/zinc/87/06/17/951870617.db2.gz NUZZRZSMLSUEKE-SECBINFHSA-N 1 0 376.421 1.013 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)C1=COCCC1)C1CC1 ZINC001575105604 951896549 /nfs/dbraw/zinc/89/65/49/951896549.db2.gz LFYSFAIICCPDND-FQEVSTJZSA-N 1 0 382.468 1.936 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1ncccc1F ZINC001575105807 951899036 /nfs/dbraw/zinc/89/90/36/951899036.db2.gz NSKRUVGIOUVWFF-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575109568 951931729 /nfs/dbraw/zinc/93/17/29/951931729.db2.gz SNJWWYYHFNZKMR-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001575113735 951944720 /nfs/dbraw/zinc/94/47/20/951944720.db2.gz FCPQSTZLQNOMEM-GOSISDBHSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccccn1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113918 951949107 /nfs/dbraw/zinc/94/91/07/951949107.db2.gz HZKGCBVMLXUPCR-OAHLLOKOSA-N 1 0 379.468 1.736 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575114059 951952156 /nfs/dbraw/zinc/95/21/56/951952156.db2.gz LKEBWJQOIKETPC-IBGZPJMESA-N 1 0 384.440 1.129 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114066 951952467 /nfs/dbraw/zinc/95/24/67/951952467.db2.gz LOXZUYKFIWFWJN-XWIAVFTESA-N 1 0 384.484 1.524 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1Cc2cccnc2C1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114333 951957576 /nfs/dbraw/zinc/95/75/76/951957576.db2.gz PKIRBHPRTQJXLB-WMLDXEAASA-N 1 0 391.479 1.519 20 0 GDADRO C[C@H](CNC(=O)CC(F)(F)C(F)F)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114767 951960193 /nfs/dbraw/zinc/96/01/93/951960193.db2.gz SNWDOQHRSYMFBF-JTQLQIEISA-N 1 0 388.369 1.999 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)c1ccccn1)C1CC1 ZINC001575114830 951960558 /nfs/dbraw/zinc/96/05/58/951960558.db2.gz UIVFVBTZHMAIGW-HXUWFJFHSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(F)c1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575115182 951963096 /nfs/dbraw/zinc/96/30/96/951963096.db2.gz VKAHAXKTBUCQAV-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1COc2ccccc21)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115455 951964817 /nfs/dbraw/zinc/96/48/17/951964817.db2.gz XAHLNECLFQTHRG-KBXCAEBGSA-N 1 0 392.463 1.885 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1ncc(Cl)s1 ZINC001575118216 951983884 /nfs/dbraw/zinc/98/38/84/951983884.db2.gz QYMBRHVQVHHAKM-MRVPVSSYSA-N 1 0 380.865 1.460 20 0 GDADRO C[C@@](CNc1ccc(-c2nn[nH]n2)cn1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575125404 952043121 /nfs/dbraw/zinc/04/31/21/952043121.db2.gz YKTQALXCYRJABJ-SFHVURJKSA-N 1 0 382.472 1.054 20 0 GDADRO 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952187517 /nfs/dbraw/zinc/18/75/17/952187517.db2.gz BTMMMEBDSDCRQT-SNVBAGLBSA-N 1 0 384.469 1.590 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575146452 952194094 /nfs/dbraw/zinc/19/40/94/952194094.db2.gz LHFGNYQJMHOMIF-LLVKDONJSA-N 1 0 387.394 1.463 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001575163374 952278007 /nfs/dbraw/zinc/27/80/07/952278007.db2.gz BEYNUHHYGYOFFK-JSGCOSHPSA-N 1 0 390.467 1.534 20 0 GDADRO C[C@H](Cc1ccccc1F)C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575189372 952456138 /nfs/dbraw/zinc/45/61/38/952456138.db2.gz NYZTXXYQQHNBHG-CYBMUJFWSA-N 1 0 383.431 1.832 20 0 GDADRO O=C(Cc1ccccc1)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571116849 952478602 /nfs/dbraw/zinc/47/86/02/952478602.db2.gz FAMWWBYMBRQOGK-IYBDPMFKSA-N 1 0 375.436 1.399 20 0 GDADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001571119815 952495539 /nfs/dbraw/zinc/49/55/39/952495539.db2.gz 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ZINC001571128389 952565774 /nfs/dbraw/zinc/56/57/74/952565774.db2.gz SESPZXVEINRBPU-GOSISDBHSA-N 1 0 377.452 1.965 20 0 GDADRO Cc1cc(NC[C@H]2CCCN2C(=O)Cc2cccnc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134059 952584593 /nfs/dbraw/zinc/58/45/93/952584593.db2.gz CUDKTHSRCDFMEL-OAHLLOKOSA-N 1 0 378.440 1.033 20 0 GDADRO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)nn1 ZINC001571134181 952587769 /nfs/dbraw/zinc/58/77/69/952587769.db2.gz GBBRXVQMYZCEEC-MRXNPFEDSA-N 1 0 378.440 1.360 20 0 GDADRO Cc1cc(C(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H](C)C2)cc(C)n1 ZINC001571135067 952599137 /nfs/dbraw/zinc/59/91/37/952599137.db2.gz OXMBKOQCTPPORP-GTNSWQLSSA-N 1 0 378.440 1.268 20 0 GDADRO Cc1cc(N2CC[C@H]3[C@H]2CCCN3C(=O)c2cc[nH]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135135 952600453 /nfs/dbraw/zinc/60/04/53/952600453.db2.gz POHSHBCXAWLLLQ-CVEARBPZSA-N 1 0 378.440 1.782 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2ccncn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571135285 952601654 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Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC34CC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571151780 952679091 /nfs/dbraw/zinc/67/90/91/952679091.db2.gz XGLVLYBZSXNYBR-KPHUOKFYSA-N 1 0 379.468 1.845 20 0 GDADRO O=C(NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cnoc1C1CC1 ZINC001571160213 952723799 /nfs/dbraw/zinc/72/37/99/952723799.db2.gz DXRKSSNKZZMRKS-UMSPYCQHSA-N 1 0 380.412 1.170 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)c2ccnn2C)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571166257 952759983 /nfs/dbraw/zinc/75/99/83/952759983.db2.gz KUGOLHKXXOIZRV-HIFRSBDPSA-N 1 0 380.456 1.383 20 0 GDADRO C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C[NH2+]Cc1cccnc1 ZINC001571166924 952768163 /nfs/dbraw/zinc/76/81/63/952768163.db2.gz RTIDWJXLJUAHRK-DZGCQCFKSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cn1ccnc1 ZINC001571167103 952769699 /nfs/dbraw/zinc/76/96/99/952769699.db2.gz VSCNRQYISKLZMP-HOCLYGCPSA-N 1 0 380.456 1.233 20 0 GDADRO 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ZINC001571170918 952790774 /nfs/dbraw/zinc/79/07/74/952790774.db2.gz ZKVKFMUXCKTXND-UHFFFAOYSA-N 1 0 380.456 1.381 20 0 GDADRO O=C(NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1cn[nH]c1 ZINC001571171928 952799321 /nfs/dbraw/zinc/79/93/21/952799321.db2.gz IQNYRLVUTPTLIW-QGZVFWFLSA-N 1 0 380.456 1.764 20 0 GDADRO Cn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C(C)(C)C2)cn1 ZINC001571172506 952806714 /nfs/dbraw/zinc/80/67/14/952806714.db2.gz VLKOVYGEINRVBE-MRXNPFEDSA-N 1 0 380.456 1.241 20 0 GDADRO Cn1cncc1C(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571172806 952808831 /nfs/dbraw/zinc/80/88/31/952808831.db2.gz YCTKXKKRWPQVHO-CVEARBPZSA-N 1 0 380.456 1.289 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571178959 952851071 /nfs/dbraw/zinc/85/10/71/952851071.db2.gz ZCRCMKVBWHLBIM-SJKOYZFVSA-N 1 0 381.415 1.324 20 0 GDADRO Cc1cc(CC(=O)N2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)no1 ZINC001571179627 952855427 /nfs/dbraw/zinc/85/54/27/952855427.db2.gz HQQBXJZLOAUITE-UHFFFAOYSA-N 1 0 381.440 1.440 20 0 GDADRO Cc1noc(C)c1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571180987 952861485 /nfs/dbraw/zinc/86/14/85/952861485.db2.gz SKHHBTCITNIXLB-MRXNPFEDSA-N 1 0 381.440 1.866 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC001571181782 952865667 /nfs/dbraw/zinc/86/56/67/952865667.db2.gz YGSGXGZKVIGXDL-HOCLYGCPSA-N 1 0 381.440 1.851 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CC1CCN(C(=O)c2cnco2)CC1 ZINC001571182643 952867040 /nfs/dbraw/zinc/86/70/40/952867040.db2.gz AFUMGYBIHHCMRR-UHFFFAOYSA-N 1 0 381.440 1.839 20 0 GDADRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571182710 952867405 /nfs/dbraw/zinc/86/74/05/952867405.db2.gz CIEJEIXCYGNOPN-AWEZNQCLSA-N 1 0 381.440 1.455 20 0 GDADRO O=C(NCC1C[NH+]([C@H]2CCc3ccc(F)cc32)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571182771 952869014 /nfs/dbraw/zinc/86/90/14/952869014.db2.gz FGSVWSMTZODJGN-KRWDZBQOSA-N 1 0 381.415 1.683 20 0 GDADRO O=C(c1ccccn1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571182953 952870780 /nfs/dbraw/zinc/87/07/80/952870780.db2.gz KODDNQNMNABRDW-AWEZNQCLSA-N 1 0 381.415 1.795 20 0 GDADRO CCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC001571182963 952871845 /nfs/dbraw/zinc/87/18/45/952871845.db2.gz KVACQXWMAISCTH-SJKOYZFVSA-N 1 0 381.440 1.667 20 0 GDADRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccncc1F ZINC001571183223 952875329 /nfs/dbraw/zinc/87/53/29/952875329.db2.gz SXFPNOQYPKCWRI-CTYIDZIISA-N 1 0 381.415 1.699 20 0 GDADRO CC(C)n1nccc1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571183480 952878314 /nfs/dbraw/zinc/87/83/14/952878314.db2.gz BHZXVPWREBFQHD-CYBMUJFWSA-N 1 0 381.444 1.178 20 0 GDADRO CCCc1n[nH]cc1C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571183544 952880044 /nfs/dbraw/zinc/88/00/44/952880044.db2.gz DFSDVNHOKRQXOJ-LBPRGKRZSA-N 1 0 381.444 1.194 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571183723 952882493 /nfs/dbraw/zinc/88/24/93/952882493.db2.gz IDKQJAOGODAHRV-BLLLJJGKSA-N 1 0 381.444 1.015 20 0 GDADRO C[C@@H]([NH2+][C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1(C)C)c1cnccn1 ZINC001571184316 952890498 /nfs/dbraw/zinc/89/04/98/952890498.db2.gz WCLUIUNQNBVPRH-ABAIWWIYSA-N 1 0 381.444 1.186 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571186822 952909171 /nfs/dbraw/zinc/90/91/71/952909171.db2.gz ZZSTXLIERPHSBT-ABAIWWIYSA-N 1 0 381.444 1.068 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571187944 952911285 /nfs/dbraw/zinc/91/12/85/952911285.db2.gz DDOZGDAPUIQWES-YPMHNXCESA-N 1 0 381.444 1.129 20 0 GDADRO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)ncn1 ZINC001571189575 952930451 /nfs/dbraw/zinc/93/04/51/952930451.db2.gz XNRBSQNJFHWVEN-QWHCGFSZSA-N 1 0 381.444 1.076 20 0 GDADRO C[C@H]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)CC1 ZINC001571191653 952947064 /nfs/dbraw/zinc/94/70/64/952947064.db2.gz PWJNJVOGHHVNCP-FLTVQCBVSA-N 1 0 381.484 1.886 20 0 GDADRO CC(F)(F)C(=O)N1CCC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571193817 952953553 /nfs/dbraw/zinc/95/35/53/952953553.db2.gz DHCCWUAKWYWNIB-LLVKDONJSA-N 1 0 382.390 1.989 20 0 GDADRO CC[C@@H]1CN(C(=O)C(F)F)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571194174 952958132 /nfs/dbraw/zinc/95/81/32/952958132.db2.gz JQFNNLIBQDZIGF-RISCZKNCSA-N 1 0 382.390 1.988 20 0 GDADRO Cc1ccnc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)n1 ZINC001571196491 952982802 /nfs/dbraw/zinc/98/28/02/952982802.db2.gz LCKCAAITXONYKR-ZDUSSCGKSA-N 1 0 382.403 1.109 20 0 GDADRO CCc1nc(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)co1 ZINC001571199458 952999389 /nfs/dbraw/zinc/99/93/89/952999389.db2.gz RTPDYHHGIZXGSG-GFCCVEGCSA-N 1 0 382.428 1.471 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571199719 953003791 /nfs/dbraw/zinc/00/37/91/953003791.db2.gz AAXVYKQRRHMUCP-WBMJQRKESA-N 1 0 382.428 1.415 20 0 GDADRO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC001571200397 953008796 /nfs/dbraw/zinc/00/87/96/953008796.db2.gz IGUSPBLTJMTNNE-OAHLLOKOSA-N 1 0 382.424 1.863 20 0 GDADRO O=C(c1cccnn1)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571200701 953010607 /nfs/dbraw/zinc/01/06/07/953010607.db2.gz JZWPBMNDSWEDTK-AWEZNQCLSA-N 1 0 382.403 1.190 20 0 GDADRO CC(C)c1nocc1C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571201165 953016687 /nfs/dbraw/zinc/01/66/87/953016687.db2.gz OQLRRVLAKFANEJ-UHFFFAOYSA-N 1 0 382.428 1.416 20 0 GDADRO Cc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571202296 953024621 /nfs/dbraw/zinc/02/46/21/953024621.db2.gz SVOXNLYGXSUUJO-OLZOCXBDSA-N 1 0 382.428 1.442 20 0 GDADRO Cc1cnoc1C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571202534 953026715 /nfs/dbraw/zinc/02/67/15/953026715.db2.gz UPCLSPIBFVUXFB-CHWSQXEVSA-N 1 0 382.428 1.190 20 0 GDADRO Cc1cnoc1C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202802 953028979 /nfs/dbraw/zinc/02/89/79/953028979.db2.gz YXCXUJXNTNAVQH-CHWSQXEVSA-N 1 0 382.428 1.190 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C2=CCOCC2)C[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571209799 953067764 /nfs/dbraw/zinc/06/77/64/953067764.db2.gz FGDILSJDWGMEOA-PBHICJAKSA-N 1 0 382.468 1.683 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC34CC4)C2)cc1-c1nn[nH]n1 ZINC001571209989 953069690 /nfs/dbraw/zinc/06/96/90/953069690.db2.gz KVDMSPLPQKEODU-HOCLYGCPSA-N 1 0 382.468 1.756 20 0 GDADRO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC2(C)C)cc1-c1nn[nH]n1 ZINC001571210382 953072384 /nfs/dbraw/zinc/07/23/84/953072384.db2.gz QEHLNOALOMHXNR-DLTWYDFYSA-N 1 0 382.468 1.468 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC12CCOCC2 ZINC001571210845 953075658 /nfs/dbraw/zinc/07/56/58/953075658.db2.gz YCXFNWPWCRVECU-WBVHZDCISA-N 1 0 382.468 1.374 20 0 GDADRO C[C@@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571212105 953084176 /nfs/dbraw/zinc/08/41/76/953084176.db2.gz IYKVYJQFYDURFN-KGLIPLIRSA-N 1 0 382.472 1.006 20 0 GDADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001571217666 953110103 /nfs/dbraw/zinc/11/01/03/953110103.db2.gz HOQGUZXCGPYGFP-NSHDSACASA-N 1 0 382.877 1.379 20 0 GDADRO Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)ccn1C ZINC001571229209 953168655 /nfs/dbraw/zinc/16/86/55/953168655.db2.gz AYYNUAUUSZYELW-OKILXGFUSA-N 1 0 383.431 1.703 20 0 GDADRO Cc1ccc(F)cc1C[NH2+][C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571229357 953169010 /nfs/dbraw/zinc/16/90/10/953169010.db2.gz CSXQLPFKIFOYCP-PXAZEXFGSA-N 1 0 383.431 1.893 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]CCc2ccccc2F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571229439 953170107 /nfs/dbraw/zinc/17/01/07/953170107.db2.gz FDPIJSIUTLECNO-NNUKFRKNSA-N 1 0 383.431 1.675 20 0 GDADRO Cn1cccc1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571229541 953170623 /nfs/dbraw/zinc/17/06/23/953170623.db2.gz IEFUZAZUOZFRQR-HNNXBMFYSA-N 1 0 383.431 1.739 20 0 GDADRO CC1(C)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001571230302 953175775 /nfs/dbraw/zinc/17/57/75/953175775.db2.gz UFPNBCBEIPEXBO-MRXNPFEDSA-N 1 0 383.431 1.974 20 0 GDADRO Cc1cc(N[C@H]2CCN(C(=O)C3=COCCC3)[C@@H](C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233374 953192436 /nfs/dbraw/zinc/19/24/36/953192436.db2.gz SZTYGCJBZYLTIH-ZFWWWQNUSA-N 1 0 383.456 1.478 20 0 GDADRO Cc1ncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)s1 ZINC001571233800 953196059 /nfs/dbraw/zinc/19/60/59/953196059.db2.gz DKZBDBMTWBUJQR-OAHLLOKOSA-N 1 0 383.481 1.978 20 0 GDADRO O=C(c1ccns1)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571233805 953196220 /nfs/dbraw/zinc/19/62/20/953196220.db2.gz DQEIGMLQEZXDHQ-UHFFFAOYSA-N 1 0 383.481 1.965 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)CCc3ccsc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571234414 953202280 /nfs/dbraw/zinc/20/22/80/953202280.db2.gz WVCGPEULUJGEKP-CQSZACIVSA-N 1 0 383.481 1.699 20 0 GDADRO O=C(c1cncc(Cl)c1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571235239 953210337 /nfs/dbraw/zinc/21/03/37/953210337.db2.gz YGYTWFICXFJZHH-HNNXBMFYSA-N 1 0 383.843 1.919 20 0 GDADRO O=C(Cc1ccco1)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571239348 953238085 /nfs/dbraw/zinc/23/80/85/953238085.db2.gz IRXPMYVZQSXOTQ-CQSZACIVSA-N 1 0 384.415 1.922 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]2C)n1 ZINC001571239643 953241095 /nfs/dbraw/zinc/24/10/95/953241095.db2.gz PAFUDXILYPAADL-MEBBXXQBSA-N 1 0 384.419 1.288 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571239927 953244527 /nfs/dbraw/zinc/24/45/27/953244527.db2.gz UZGSRNHTYIPKGW-YEORSEQZSA-N 1 0 384.419 1.336 20 0 GDADRO O=C(CC[N@H+]1CC[C@H](F)C1)Nc1cnn(Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571241489 953246846 /nfs/dbraw/zinc/24/68/46/953246846.db2.gz AWDSXYLDIYWWKZ-HNNXBMFYSA-N 1 0 384.419 1.484 20 0 GDADRO O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cn[nH]c1 ZINC001571241739 953249396 /nfs/dbraw/zinc/24/93/96/953249396.db2.gz KJABKEDCFONQTM-CABCVRRESA-N 1 0 384.419 1.560 20 0 GDADRO CCc1nocc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571242561 953257994 /nfs/dbraw/zinc/25/79/94/953257994.db2.gz JAFOLCLHMYVIED-RISCZKNCSA-N 1 0 384.444 1.434 20 0 GDADRO C[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571244857 953267399 /nfs/dbraw/zinc/26/73/99/953267399.db2.gz KOYQTVUBXXNDAQ-RYUDHWBXSA-N 1 0 384.469 1.216 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245163 953270750 /nfs/dbraw/zinc/27/07/50/953270750.db2.gz DUHZAVGRNGFKQO-SMDDNHRTSA-N 1 0 384.469 1.493 20 0 GDADRO Cc1nc(CC(=O)N[C@@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)cs1 ZINC001571245611 953275146 /nfs/dbraw/zinc/27/51/46/953275146.db2.gz WWPNDTSXJTYFFF-HAQNSBGRSA-N 1 0 384.469 1.059 20 0 GDADRO Cc1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)o1 ZINC001571247521 953283600 /nfs/dbraw/zinc/28/36/00/953283600.db2.gz ACGJPSHXWOJHRG-ZWNOBZJWSA-N 1 0 384.444 1.298 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CN(C(=O)CC2CCC2)CCO1 ZINC001571247630 953284719 /nfs/dbraw/zinc/28/47/19/953284719.db2.gz BFXQYGBFNIWDQZ-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCCOCC1 ZINC001571247742 953285551 /nfs/dbraw/zinc/28/55/51/953285551.db2.gz DBBVKLXMDZYJKB-RDJZCZTQSA-N 1 0 384.484 1.716 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cncnc1 ZINC001571247759 953286138 /nfs/dbraw/zinc/28/61/38/953286138.db2.gz DIAQMOAYKXGMFS-QWHCGFSZSA-N 1 0 384.469 1.549 20 0 GDADRO C[C@H]1CN(C(=O)COC2CCCC2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571247815 953286361 /nfs/dbraw/zinc/28/63/61/953286361.db2.gz FOCFHNAWSOCHOG-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO Cc1ncoc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571248055 953288795 /nfs/dbraw/zinc/28/87/95/953288795.db2.gz CZKAZJQVYZPGMW-GXTWGEPZSA-N 1 0 384.444 1.570 20 0 GDADRO C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCOC1 ZINC001571248122 953289775 /nfs/dbraw/zinc/28/97/75/953289775.db2.gz MDPLTXPSJXJGTR-HLIPFELVSA-N 1 0 384.484 1.810 20 0 GDADRO CC1(C)CO[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571248355 953292119 /nfs/dbraw/zinc/29/21/19/953292119.db2.gz RKFQYKTWTGBDFM-DLBZAZTESA-N 1 0 384.484 1.762 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001571248416 953293523 /nfs/dbraw/zinc/29/35/23/953293523.db2.gz STRIBYQTPGGCJT-UZLBHIALSA-N 1 0 384.484 1.622 20 0 GDADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccns1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571248511 953294682 /nfs/dbraw/zinc/29/46/82/953294682.db2.gz WCWFXPCRMPEEJB-YHWZYXNKSA-N 1 0 384.469 1.577 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571248607 953294983 /nfs/dbraw/zinc/29/49/83/953294983.db2.gz WJKWJWXOWJJEEF-JCGIZDLHSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H]1COCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248629 953295371 /nfs/dbraw/zinc/29/53/71/953295371.db2.gz WRNSJIAPVFAYTM-JHNDHUHGSA-N 1 0 384.484 1.524 20 0 GDADRO O=C(C[C@@H]1CCCO1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571249094 953300505 /nfs/dbraw/zinc/30/05/05/953300505.db2.gz DAKPRBLPMHJIGK-IRXDYDNUSA-N 1 0 384.484 1.907 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571249918 953308355 /nfs/dbraw/zinc/30/83/55/953308355.db2.gz MRHNKDFRLUMMQW-UWWQBHOKSA-N 1 0 384.484 1.762 20 0 GDADRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H](C)C3CC3)C2)cc1-c1nn[nH]n1 ZINC001571250204 953308770 /nfs/dbraw/zinc/30/87/70/953308770.db2.gz OILNSXUOXHPUOT-XEBKBJJBSA-N 1 0 384.484 1.906 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571250789 953312215 /nfs/dbraw/zinc/31/22/15/953312215.db2.gz SILLQRANMIHXLS-GDBMZVCRSA-N 1 0 384.488 1.537 20 0 GDADRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC001571251434 953317866 /nfs/dbraw/zinc/31/78/66/953317866.db2.gz XNCPPHDMTIANLG-XJKSGUPXSA-N 1 0 384.484 1.860 20 0 GDADRO CN(c1ccncc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001571251796 953319449 /nfs/dbraw/zinc/31/94/49/953319449.db2.gz ABJJGWDYCXNIQT-LSDHHAIUSA-N 1 0 384.488 1.031 20 0 GDADRO Cc1nc(N[C@@H](C)[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)ccc1-c1nn[nH]n1 ZINC001571252510 953330122 /nfs/dbraw/zinc/33/01/22/953330122.db2.gz OBXOEEAHFXASRM-DZGCQCFKSA-N 1 0 384.488 1.315 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571254398 953338963 /nfs/dbraw/zinc/33/89/63/953338963.db2.gz GKBPFEJADADTBD-BXUZGUMPSA-N 1 0 385.403 1.492 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)c2cocn2)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571254605 953340362 /nfs/dbraw/zinc/34/03/62/953340362.db2.gz HHFVIWMCJBNKQA-BXUZGUMPSA-N 1 0 385.403 1.777 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnco2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571255190 953346323 /nfs/dbraw/zinc/34/63/23/953346323.db2.gz MLUCNBZNDWYHFO-ABAIWWIYSA-N 1 0 385.403 1.634 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1cnoc1 ZINC001571256086 953363868 /nfs/dbraw/zinc/36/38/68/953363868.db2.gz XUZWVYLFXGVFJP-BZNIZROVSA-N 1 0 385.403 1.316 20 0 GDADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001352216700 958123479 /nfs/dbraw/zinc/12/34/79/958123479.db2.gz RJQFNNCSMSYLAP-SFHVURJKSA-N 1 0 388.512 1.699 20 0 GDADRO Cn1nc(C(=O)[O-])cc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001329775729 969714290 /nfs/dbraw/zinc/71/42/90/969714290.db2.gz UMLSPMGJYMXQEJ-UHFFFAOYSA-N 1 0 377.533 1.746 20 0 GDADRO O=C([O-])/C=C/c1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000911323710 982347947 /nfs/dbraw/zinc/34/79/47/982347947.db2.gz MPPNZEUBBWWLPH-HWKANZROSA-N 1 0 384.436 1.715 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC001594519415 985953432 /nfs/dbraw/zinc/95/34/32/985953432.db2.gz UNICPMYMXYRVEQ-QRQLOZEOSA-N 1 0 388.512 1.522 20 0 GDADRO C[C@@H]1C[NH+](Cc2c(C[N@@H+]3CC[C@H](O)[C@H](C)C3)cccc2C(=O)[O-])CC[C@@H]1O ZINC001594542326 986182595 /nfs/dbraw/zinc/18/25/95/986182595.db2.gz KHRPXFLGDKGVRF-IPZZXCBHSA-N 1 0 376.497 1.790 20 0 GDADRO C[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)O[C@H]1C(=O)[O-] ZINC001599870865 989347831 /nfs/dbraw/zinc/34/78/31/989347831.db2.gz KXXVMMFIFOGQJF-QFACEVIFSA-N 1 0 395.544 1.660 20 0 GDADRO C[NH+](C)Cc1ccc(C[NH2+]CCC(=O)NCCC(=O)[O-])c2c1OC(F)(F)O2 ZINC001598252487 991033648 /nfs/dbraw/zinc/03/36/48/991033648.db2.gz IRELQTZYLKFXKJ-UHFFFAOYSA-N 1 0 387.383 1.140 20 0 GDADRO C[NH+](Cc1c(C[N@H+](C)C[C@H]2C[C@@H](O)C2)cccc1C(=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC001598528029 992745054 /nfs/dbraw/zinc/74/50/54/992745054.db2.gz ZCZQAIGUVIOMLD-FJXPOBPXSA-N 1 0 376.497 1.790 20 0 GDADRO C[N@@H+]1C[C@@]23CN(CCCN4C(=O)CS/C4=C\C(=O)[O-])C[C@]2(C1)CCCC3 ZINC001598571950 993211128 /nfs/dbraw/zinc/21/11/28/993211128.db2.gz GEQUDZQWKXQDHQ-OMPKPLDESA-N 1 0 379.526 1.686 20 0 GDADRO C[N@@H+]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@H](C(=O)[O-])C1 ZINC001598606871 993676244 /nfs/dbraw/zinc/67/62/44/993676244.db2.gz LCPRJKCQWSFRDS-LJQANCHMSA-N 1 0 388.512 1.556 20 0 GDADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001593197340 994162292 /nfs/dbraw/zinc/16/22/92/994162292.db2.gz ZOSSMILDXCYIAS-NVXWUHKLSA-N 1 0 376.501 1.774 20 0 GDADRO CO[C@]1(C(=O)[O-])CC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001599076927 996893056 /nfs/dbraw/zinc/89/30/56/996893056.db2.gz TXOZFUGYZVDTIO-HRAATJIYSA-N 1 0 389.496 1.331 20 0 GDADRO COC1CC[NH+](C2(CNC(=O)N3CC[N@H+](C)C[C@@H](C(=O)[O-])C3)CCCC2)CC1 ZINC001599124651 997817063 /nfs/dbraw/zinc/81/70/63/997817063.db2.gz XGWLGIFYHGNKLN-MRXNPFEDSA-N 1 0 396.532 1.068 20 0 GDADRO COc1cc2c(cc1C[N@H+](CCN1CC[NH+](C)CC1)CC(=O)[O-])O[C@H](C)C2 ZINC001599463137 998309189 /nfs/dbraw/zinc/30/91/89/998309189.db2.gz HSIDWADXEOVEOR-OAHLLOKOSA-N 1 0 377.485 1.153 20 0 GDADRO C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001594165854 998620781 /nfs/dbraw/zinc/62/07/81/998620781.db2.gz IHXAJDNCBFHUSZ-PBHICJAKSA-N 1 0 377.510 1.969 20 0 GDADRO Cn1c2nnc(C[NH2+]C3(CO)Cc4ccccc4C3)n2c2ccsc2c1=O ZINC000369316807 1126079814 /nfs/dbraw/zinc/07/98/14/1126079814.db2.gz FNUCLDCCMWGTJV-UHFFFAOYSA-N 1 0 381.461 1.262 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000638606056 1126102312 /nfs/dbraw/zinc/10/23/12/1126102312.db2.gz VVECSAKGLGTJOB-CVEARBPZSA-N 1 0 388.411 1.958 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)cc1 ZINC000933424867 1126138198 /nfs/dbraw/zinc/13/81/98/1126138198.db2.gz FFDOXQXOOCDNJT-GOSISDBHSA-N 1 0 382.482 1.622 20 0 GDADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC001179278721 1126152108 /nfs/dbraw/zinc/15/21/08/1126152108.db2.gz YGSBKFJZIVAKFD-SFHVURJKSA-N 1 0 382.457 1.565 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)cc1 ZINC001605270098 1126230057 /nfs/dbraw/zinc/23/00/57/1126230057.db2.gz SUZAWCBXEPSWMV-HXUWFJFHSA-N 1 0 383.452 1.967 20 0 GDADRO O=C(Cc1cccc(I)c1)NCCCN1CC[NH2+]CC1 ZINC000158772414 530536418 /nfs/dbraw/zinc/53/64/18/530536418.db2.gz UXTQOIXINXRVHI-UHFFFAOYSA-N 1 0 387.265 1.245 20 0 GDADRO O=S(=O)(Cc1ccc(Br)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158920231 530537588 /nfs/dbraw/zinc/53/75/88/530537588.db2.gz ZVSJSMAZPIWASN-OAHLLOKOSA-N 1 0 391.331 1.715 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158986344 530538279 /nfs/dbraw/zinc/53/82/79/530538279.db2.gz PSELVHGHBRIXOA-BONVTDFDSA-N 1 0 386.315 1.841 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccc(F)cc1Br ZINC000158987351 530538352 /nfs/dbraw/zinc/53/83/52/530538352.db2.gz JDLGJFSLZPZVPJ-UHFFFAOYSA-N 1 0 395.294 1.713 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Br)c1 ZINC000158967906 530538465 /nfs/dbraw/zinc/53/84/65/530538465.db2.gz XPRVCLRSPPTVEO-CYBMUJFWSA-N 1 0 391.331 1.883 20 0 GDADRO CN(CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(Cl)s1 ZINC000159286001 530542404 /nfs/dbraw/zinc/54/24/04/530542404.db2.gz SZCXDOFFLDICSO-PHIMTYICSA-N 1 0 377.919 1.375 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(Br)nc1 ZINC000166396238 530582997 /nfs/dbraw/zinc/58/29/97/530582997.db2.gz WFEDTABKAMALQV-ZDUSSCGKSA-N 1 0 398.305 1.908 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(Br)c1 ZINC000161703406 530563040 /nfs/dbraw/zinc/56/30/40/530563040.db2.gz YSFAKFHAUXIKIN-AWEZNQCLSA-N 1 0 391.331 1.964 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1c(Cl)nc2ccccn21 ZINC000161722794 530563233 /nfs/dbraw/zinc/56/32/33/530563233.db2.gz AALHQWWKNSVIFY-CYBMUJFWSA-N 1 0 386.905 1.503 20 0 GDADRO COC1(C(=O)NC[C@H](O)COc2ccccc2Br)CC[NH2+]CC1 ZINC000161747861 530563732 /nfs/dbraw/zinc/56/37/32/530563732.db2.gz YUATVJREGISSBR-LBPRGKRZSA-N 1 0 387.274 1.074 20 0 GDADRO O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CC[NH2+]CC1 ZINC000161960382 530565369 /nfs/dbraw/zinc/56/53/69/530565369.db2.gz TZIXOJIDQAMRJH-UHFFFAOYSA-N 1 0 385.555 1.581 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000162133478 530566808 /nfs/dbraw/zinc/56/68/08/530566808.db2.gz JKNNPUHIHNSXAK-DTWKUNHWSA-N 1 0 396.332 1.175 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000162459520 530568631 /nfs/dbraw/zinc/56/86/31/530568631.db2.gz SSORFNCYCPJYFN-LBPRGKRZSA-N 1 0 383.290 1.973 20 0 GDADRO CN1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000162604661 530569206 /nfs/dbraw/zinc/56/92/06/530569206.db2.gz GTOMODGOSPKFID-CQSZACIVSA-N 1 0 398.305 1.062 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000162930048 530572461 /nfs/dbraw/zinc/57/24/61/530572461.db2.gz HTGQAORXNVDEHU-GFCCVEGCSA-N 1 0 381.420 1.617 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000025524383 530581902 /nfs/dbraw/zinc/58/19/02/530581902.db2.gz WYVDUEDXOZNJLK-LBPRGKRZSA-N 1 0 382.302 1.993 20 0 GDADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000028852692 530593069 /nfs/dbraw/zinc/59/30/69/530593069.db2.gz MEPJTBQBMJVGCC-LLVKDONJSA-N 1 0 379.404 1.937 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000171340046 530598532 /nfs/dbraw/zinc/59/85/32/530598532.db2.gz SFRHFZQFUVOTGY-UHFFFAOYSA-N 1 0 386.315 1.891 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000172126183 530608590 /nfs/dbraw/zinc/60/85/90/530608590.db2.gz VQLPKBLDHWRAHR-ZDUSSCGKSA-N 1 0 390.575 1.822 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000172292849 530611359 /nfs/dbraw/zinc/61/13/59/530611359.db2.gz KZEQNXISOLCKST-GFCCVEGCSA-N 1 0 380.286 1.748 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1ccc(Br)cc1 ZINC000041784966 530624139 /nfs/dbraw/zinc/62/41/39/530624139.db2.gz NZOOZUOWYKJMPJ-UHFFFAOYSA-N 1 0 384.274 1.616 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1cccc(Br)c1 ZINC000041784968 530624187 /nfs/dbraw/zinc/62/41/87/530624187.db2.gz DVMKQHSGNCWULJ-UHFFFAOYSA-N 1 0 384.274 1.616 20 0 GDADRO O=C(Nc1ccccc1Br)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173228591 530627091 /nfs/dbraw/zinc/62/70/91/530627091.db2.gz UCYMGZVXARHDPR-ZDUSSCGKSA-N 1 0 396.285 1.568 20 0 GDADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000173307418 530627620 /nfs/dbraw/zinc/62/76/20/530627620.db2.gz SHXIGGCQQKPSKI-WMLDXEAASA-N 1 0 396.329 1.985 20 0 GDADRO C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)[NH+]1CCCC1 ZINC000042503765 530629472 /nfs/dbraw/zinc/62/94/72/530629472.db2.gz PQFGTLSNYAYPBQ-NSHDSACASA-N 1 0 379.935 1.623 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000173431611 530629599 /nfs/dbraw/zinc/62/95/99/530629599.db2.gz BHMQXJKFQGVBRN-GFCCVEGCSA-N 1 0 376.906 1.910 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NCCc2nc(C(F)(F)F)cs2)CC1=O ZINC000173446481 530630335 /nfs/dbraw/zinc/63/03/35/530630335.db2.gz ABOZDIVWASRLBT-SNVBAGLBSA-N 1 0 378.420 1.231 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000042882897 530632220 /nfs/dbraw/zinc/63/22/20/530632220.db2.gz MXRMHHKUPHDEIR-UHFFFAOYSA-N 1 0 398.301 1.879 20 0 GDADRO CC(C)C[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000043008591 530632380 /nfs/dbraw/zinc/63/23/80/530632380.db2.gz PGZUDEUBZWPEMJ-UHFFFAOYSA-N 1 0 387.933 1.761 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000173597535 530633707 /nfs/dbraw/zinc/63/37/07/530633707.db2.gz IDBVZLKERPJULZ-LLVKDONJSA-N 1 0 381.278 1.691 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(S(N)(=O)=O)s1)C1CCCCC1 ZINC000043472592 530634990 /nfs/dbraw/zinc/63/49/90/530634990.db2.gz URIGWHMDOOOFBC-AWEZNQCLSA-N 1 0 388.559 1.705 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000043473145 530635233 /nfs/dbraw/zinc/63/52/33/530635233.db2.gz YEUINWHACBKHAP-UHFFFAOYSA-N 1 0 386.543 1.413 20 0 GDADRO CCS(=O)(=O)NCCCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000051711890 530681380 /nfs/dbraw/zinc/68/13/80/530681380.db2.gz IHYADLWMWBQOKS-GJZGRUSLSA-N 1 0 376.567 1.372 20 0 GDADRO CCS(=O)(=O)N1CCC(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000045638558 530645111 /nfs/dbraw/zinc/64/51/11/530645111.db2.gz AVSKJEIBDWMVFM-HNNXBMFYSA-N 1 0 388.559 1.464 20 0 GDADRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ccc(S(N)(=O)=O)s2)c1 ZINC000045639923 530645443 /nfs/dbraw/zinc/64/54/43/530645443.db2.gz SXPHFWWGXZDZOB-UHFFFAOYSA-N 1 0 382.511 1.457 20 0 GDADRO CS(=O)(=O)CCOCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000174512446 530649591 /nfs/dbraw/zinc/64/95/91/530649591.db2.gz ILFCKXDFNAEJON-UHFFFAOYSA-N 1 0 390.299 1.876 20 0 GDADRO CC[NH+](CC)CC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000174541759 530650744 /nfs/dbraw/zinc/65/07/44/530650744.db2.gz FMDRCPSCCFYJPA-UHFFFAOYSA-N 1 0 387.571 1.923 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(CC(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000174545137 530650825 /nfs/dbraw/zinc/65/08/25/530650825.db2.gz HCAABFAUUZUIKV-OAHLLOKOSA-N 1 0 396.333 1.494 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000046751135 530653558 /nfs/dbraw/zinc/65/35/58/530653558.db2.gz AJRSAFKROXWNOE-INIZCTEOSA-N 1 0 376.567 1.612 20 0 GDADRO CNC(=O)NC(=O)CC[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000174793552 530654312 /nfs/dbraw/zinc/65/43/12/530654312.db2.gz ZLKJIPXMVYGWJU-ZDUSSCGKSA-N 1 0 397.317 1.973 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CC1=O ZINC000174995837 530657358 /nfs/dbraw/zinc/65/73/58/530657358.db2.gz CFBJXWSYRUPBAE-WFASDCNBSA-N 1 0 388.295 1.553 20 0 GDADRO C[NH+]1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000047615548 530660954 /nfs/dbraw/zinc/66/09/54/530660954.db2.gz GDGNVEQTHBCSQH-GFCCVEGCSA-N 1 0 391.946 1.765 20 0 GDADRO O=S(=O)(N[C@H]1CC[NH2+]C1)c1cc(Br)ccc1Br ZINC000052093324 530683167 /nfs/dbraw/zinc/68/31/67/530683167.db2.gz NMGPMHXWSZKMOQ-QMMMGPOBSA-N 1 0 384.093 1.852 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000175405054 530664476 /nfs/dbraw/zinc/66/44/76/530664476.db2.gz UIWFISNZMSLVAW-AWEZNQCLSA-N 1 0 387.933 1.951 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000048025078 530665308 /nfs/dbraw/zinc/66/53/08/530665308.db2.gz XOYUXYFCDPKHGS-UHFFFAOYSA-N 1 0 382.302 1.995 20 0 GDADRO C[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000175429806 530665536 /nfs/dbraw/zinc/66/55/36/530665536.db2.gz XZOWDNQZAYPDMB-SNVBAGLBSA-N 1 0 394.269 1.644 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000049737009 530674590 /nfs/dbraw/zinc/67/45/90/530674590.db2.gz IBHYHENHSWSHQH-OAHLLOKOSA-N 1 0 389.949 1.899 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1 ZINC000176202870 530678945 /nfs/dbraw/zinc/67/89/45/530678945.db2.gz QFKGLLQFMLQDEG-UHFFFAOYSA-N 1 0 385.511 1.762 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000052560106 530685676 /nfs/dbraw/zinc/68/56/76/530685676.db2.gz WUFISQNZJXZHKY-AWEZNQCLSA-N 1 0 383.290 1.572 20 0 GDADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176628031 530687057 /nfs/dbraw/zinc/68/70/57/530687057.db2.gz OWXKLPXPIUGNKC-GJZGRUSLSA-N 1 0 388.555 1.755 20 0 GDADRO C[NH+](C)CCN(C(=O)c1ccc(CCNS(C)(=O)=O)s1)C1CCCC1 ZINC000053152833 530689732 /nfs/dbraw/zinc/68/97/32/530689732.db2.gz VXGHWMOEFDFRTH-UHFFFAOYSA-N 1 0 387.571 1.786 20 0 GDADRO C[NH+]1CCC(NC(=O)c2cccn3c(I)cnc23)CC1 ZINC000176782025 530691084 /nfs/dbraw/zinc/69/10/84/530691084.db2.gz BISKUVKOSPUKGN-UHFFFAOYSA-N 1 0 384.221 1.763 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NCC[NH+]1CCCC1 ZINC000053283801 530691464 /nfs/dbraw/zinc/69/14/64/530691464.db2.gz UUPIAMOJXQIZHB-UHFFFAOYSA-N 1 0 385.555 1.677 20 0 GDADRO Cc1nc(C)c(S(=O)(=O)NCc2cccnc2N2CC[NH+](C)CC2)s1 ZINC000176846174 530692106 /nfs/dbraw/zinc/69/21/06/530692106.db2.gz LXWRMTPCIWBDPE-UHFFFAOYSA-N 1 0 381.527 1.385 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000176858232 530692757 /nfs/dbraw/zinc/69/27/57/530692757.db2.gz KFPHTMKKNCFSLH-LBPRGKRZSA-N 1 0 383.543 1.768 20 0 GDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000176867520 530693028 /nfs/dbraw/zinc/69/30/28/530693028.db2.gz YJTLWHPPDPHYTP-UHFFFAOYSA-N 1 0 386.499 1.262 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000177202447 530698386 /nfs/dbraw/zinc/69/83/86/530698386.db2.gz NGCNMAKWSDXOIT-GXTWGEPZSA-N 1 0 385.917 1.702 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000177480509 530704226 /nfs/dbraw/zinc/70/42/26/530704226.db2.gz HJBLHALKKDQGNS-UHFFFAOYSA-N 1 0 386.294 1.238 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Br ZINC000177566810 530706348 /nfs/dbraw/zinc/70/63/48/530706348.db2.gz BDYIFYXTOBBFHS-ZDUSSCGKSA-N 1 0 397.317 1.448 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)CS(C)(=O)=O)cc1 ZINC000178434636 530721129 /nfs/dbraw/zinc/72/11/29/530721129.db2.gz OQQJLSNHSOTUDT-KGLIPLIRSA-N 1 0 376.544 1.801 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 ZINC000179510872 530742676 /nfs/dbraw/zinc/74/26/76/530742676.db2.gz PBQLDQLCMZVPKR-UHFFFAOYSA-N 1 0 389.315 1.924 20 0 GDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)nc2C)C1 ZINC000179560001 530743972 /nfs/dbraw/zinc/74/39/72/530743972.db2.gz LZWZFISZHGGGMU-LBPRGKRZSA-N 1 0 383.290 1.939 20 0 GDADRO O[C@@H](COc1ccc(Br)cc1)CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178491732 530721947 /nfs/dbraw/zinc/72/19/47/530721947.db2.gz LZDPQLOAKGENDC-DOTOQJQBSA-N 1 0 399.329 1.843 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCC(=O)NC1 ZINC000056997034 530722198 /nfs/dbraw/zinc/72/21/98/530722198.db2.gz BIJQSDQYHVXDQL-AWEZNQCLSA-N 1 0 382.302 1.866 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000178537754 530722309 /nfs/dbraw/zinc/72/23/09/530722309.db2.gz WTAIZUKOINEGMB-JTQLQIEISA-N 1 0 380.242 1.242 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C1 ZINC000178529613 530722429 /nfs/dbraw/zinc/72/24/29/530722429.db2.gz WHDVKXOVJVJDCM-CYBMUJFWSA-N 1 0 379.507 1.647 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000178561144 530723272 /nfs/dbraw/zinc/72/32/72/530723272.db2.gz RGSLETBUAYMEBP-LBPRGKRZSA-N 1 0 375.288 1.171 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC([C@@H](C)[NH3+])CC2)s1 ZINC000178849078 530729536 /nfs/dbraw/zinc/72/95/36/530729536.db2.gz HLSCHPHJXMZQQS-HIFRSBDPSA-N 1 0 385.555 1.795 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccs1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178901505 530729897 /nfs/dbraw/zinc/72/98/97/530729897.db2.gz HPHGNEBRDRJCPZ-AWEZNQCLSA-N 1 0 386.543 1.296 20 0 GDADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000178948615 530732402 /nfs/dbraw/zinc/73/24/02/530732402.db2.gz LNDPGSUJZHNLTM-JTQLQIEISA-N 1 0 388.287 1.316 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000058805686 530733482 /nfs/dbraw/zinc/73/34/82/530733482.db2.gz DPIVYVFEORXWHT-CQSZACIVSA-N 1 0 383.436 1.676 20 0 GDADRO CN(C(=O)CCCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000179093306 530734636 /nfs/dbraw/zinc/73/46/36/530734636.db2.gz LKNPLYPPBCTTCE-ZDUSSCGKSA-N 1 0 389.315 1.823 20 0 GDADRO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)C[C@H](C)O1 ZINC000065510618 530754648 /nfs/dbraw/zinc/75/46/48/530754648.db2.gz OPHAVQLWAIUQIS-TYNCELHUSA-N 1 0 396.289 1.573 20 0 GDADRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000180197363 530759714 /nfs/dbraw/zinc/75/97/14/530759714.db2.gz RBSFVFMFZIQIFB-GWCFXTLKSA-N 1 0 379.404 1.538 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1Cl ZINC000180264153 530762238 /nfs/dbraw/zinc/76/22/38/530762238.db2.gz QOIXWNISQAUYSE-UHFFFAOYSA-N 1 0 385.917 1.577 20 0 GDADRO O=C(CNS(=O)(=O)c1cccs1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064126597 530748424 /nfs/dbraw/zinc/74/84/24/530748424.db2.gz UDGYPYPIRXFUOK-UHFFFAOYSA-N 1 0 385.555 1.751 20 0 GDADRO COC(=O)C1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)CCOCC1 ZINC000180647045 530769454 /nfs/dbraw/zinc/76/94/54/530769454.db2.gz LRMMGYXLVZEAEC-CYBMUJFWSA-N 1 0 385.258 1.535 20 0 GDADRO CCS(=O)(=O)N(C)C1CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000066975964 530771028 /nfs/dbraw/zinc/77/10/28/530771028.db2.gz LRQACXCOTIYKIS-UHFFFAOYSA-N 1 0 376.567 1.561 20 0 GDADRO CN(CCN(C)S(=O)(=O)c1cc(F)c(F)cc1F)C1CC[NH+](C)CC1 ZINC000181069777 530777405 /nfs/dbraw/zinc/77/74/05/530777405.db2.gz FQXXFLDTHCKZPZ-UHFFFAOYSA-N 1 0 379.448 1.750 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](CO)c2cccc(Br)c2)CC1=O ZINC000181118773 530779042 /nfs/dbraw/zinc/77/90/42/530779042.db2.gz MZSIPPKECFIOFP-DZGCQCFKSA-N 1 0 398.301 1.009 20 0 GDADRO CN(CC(=O)NCC1(C)CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000181288536 530781061 /nfs/dbraw/zinc/78/10/61/530781061.db2.gz XGNCVYSWOCTVIY-UHFFFAOYSA-N 1 0 379.935 1.528 20 0 GDADRO C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000068064983 530782488 /nfs/dbraw/zinc/78/24/88/530782488.db2.gz TXBJHRGFGOBBSD-LBPRGKRZSA-N 1 0 375.441 1.234 20 0 GDADRO Cc1csc(NC(=O)C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000180528354 530767506 /nfs/dbraw/zinc/76/75/06/530767506.db2.gz XAOYQBVMWIMOJG-LBPRGKRZSA-N 1 0 382.511 1.991 20 0 GDADRO COC[C@@](C)(O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000069911641 530800678 /nfs/dbraw/zinc/80/06/78/530800678.db2.gz PTCKLZUSLVFBSO-AWEZNQCLSA-N 1 0 395.237 1.795 20 0 GDADRO CC[N@H+](CCO)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000070943216 530803144 /nfs/dbraw/zinc/80/31/44/530803144.db2.gz XIZNKRGNTSJKCE-UHFFFAOYSA-N 1 0 390.347 1.469 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000071144629 530804273 /nfs/dbraw/zinc/80/42/73/530804273.db2.gz PMQLOCPWCUJWDM-JTQLQIEISA-N 1 0 380.251 1.521 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000071144631 530804368 /nfs/dbraw/zinc/80/43/68/530804368.db2.gz PMQLOCPWCUJWDM-SNVBAGLBSA-N 1 0 380.251 1.521 20 0 GDADRO Cc1cc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cnc1Br ZINC000182774922 530804923 /nfs/dbraw/zinc/80/49/23/530804923.db2.gz XQRRALTVNNQNIZ-UHFFFAOYSA-N 1 0 383.290 1.939 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000068800089 530790653 /nfs/dbraw/zinc/79/06/53/530790653.db2.gz RREFHCHLBPBBNW-UHFFFAOYSA-N 1 0 387.933 1.903 20 0 GDADRO NC(=O)C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)C1CCOCC1 ZINC000181933264 530792956 /nfs/dbraw/zinc/79/29/56/530792956.db2.gz DYXRSLCCEUXXPW-AWEZNQCLSA-N 1 0 399.285 1.981 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000182096550 530794028 /nfs/dbraw/zinc/79/40/28/530794028.db2.gz OHZLYAFBDZPZRB-UHFFFAOYSA-N 1 0 380.436 1.405 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000068974611 530794125 /nfs/dbraw/zinc/79/41/25/530794125.db2.gz HBWVISUIVWPYBY-AWEZNQCLSA-N 1 0 387.933 1.855 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccsc1 ZINC000069062720 530794537 /nfs/dbraw/zinc/79/45/37/530794537.db2.gz YCKHJYHRULXMJU-OAHLLOKOSA-N 1 0 388.559 1.370 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000069144454 530796031 /nfs/dbraw/zinc/79/60/31/530796031.db2.gz BOQOUOKJIDGIHB-CHWSQXEVSA-N 1 0 378.288 1.356 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000069144369 530796061 /nfs/dbraw/zinc/79/60/61/530796061.db2.gz PZNYOLDHCTXWNR-OLZOCXBDSA-N 1 0 378.288 1.356 20 0 GDADRO CC[N@H+](CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(C)C ZINC000102480961 530828009 /nfs/dbraw/zinc/82/80/09/530828009.db2.gz ZEGXFQFFPGVWJZ-UHFFFAOYSA-N 1 0 396.285 1.892 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COc2cccc(Br)c2)C1 ZINC000102788920 530830034 /nfs/dbraw/zinc/83/00/34/530830034.db2.gz BZMJUUQUJADCPG-CYBMUJFWSA-N 1 0 398.301 1.532 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000184858337 530832309 /nfs/dbraw/zinc/83/23/09/530832309.db2.gz MCXJUOVNPLRRND-LBPRGKRZSA-N 1 0 395.294 1.713 20 0 GDADRO O=C(Cc1ccc(Br)cc1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103123422 530832847 /nfs/dbraw/zinc/83/28/47/530832847.db2.gz YKTJMAWGWCJSHD-UHFFFAOYSA-N 1 0 394.313 1.758 20 0 GDADRO C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2F)C[C@@H]1C ZINC000184937199 530833602 /nfs/dbraw/zinc/83/36/02/530833602.db2.gz ODNSRYWOBHVTBL-WDEREUQCSA-N 1 0 395.294 1.664 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000183155510 530810004 /nfs/dbraw/zinc/81/00/04/530810004.db2.gz CMJDUHNWVBWHCV-LLVKDONJSA-N 1 0 376.320 1.745 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000183156527 530810120 /nfs/dbraw/zinc/81/01/20/530810120.db2.gz YCATZJCHPHDUEJ-ZDUSSCGKSA-N 1 0 387.571 1.683 20 0 GDADRO COc1ccc(S(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1Cl ZINC000097000119 530818984 /nfs/dbraw/zinc/81/89/84/530818984.db2.gz POQKRYDWUIMUAZ-UHFFFAOYSA-N 1 0 389.949 1.995 20 0 GDADRO CC1(C)NC(=O)N(CCC[NH2+][C@@H](CO)c2cccc(Br)c2)C1=O ZINC000183894227 530821235 /nfs/dbraw/zinc/82/12/35/530821235.db2.gz QMXNUHNAUROSFW-ZDUSSCGKSA-N 1 0 384.274 1.793 20 0 GDADRO C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000097617248 530821438 /nfs/dbraw/zinc/82/14/38/530821438.db2.gz WGDGPZMCBIEWPU-UHFFFAOYSA-N 1 0 379.404 1.148 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cn1 ZINC000184128402 530824751 /nfs/dbraw/zinc/82/47/51/530824751.db2.gz GPCZKEOEVUUXSX-CYBMUJFWSA-N 1 0 382.511 1.426 20 0 GDADRO O=C(CS[C@H]1CCS(=O)(=O)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101677247 530825527 /nfs/dbraw/zinc/82/55/27/530825527.db2.gz IDSSGPUMVXCVFU-KRWDZBQOSA-N 1 0 382.551 1.688 20 0 GDADRO CC[NH+]1CCN(CCC(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101647886 530825888 /nfs/dbraw/zinc/82/58/88/530825888.db2.gz QLQVQXCZZKOXIK-UHFFFAOYSA-N 1 0 397.317 1.531 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000101979012 530826765 /nfs/dbraw/zinc/82/67/65/530826765.db2.gz RIEXNAXKKCFLBK-UHFFFAOYSA-N 1 0 376.910 1.258 20 0 GDADRO O=C(CSc1nnnn1CC(F)(F)F)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106789483 530849928 /nfs/dbraw/zinc/84/99/28/530849928.db2.gz XUWZKLQCEHITHZ-JTQLQIEISA-N 1 0 378.424 1.461 20 0 GDADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCN(C)CC3)s2)CC1 ZINC000106927038 530851679 /nfs/dbraw/zinc/85/16/79/530851679.db2.gz FVOSDQTZOOEVSZ-UHFFFAOYSA-N 1 0 385.555 1.946 20 0 GDADRO CC(C)c1n[nH]c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1Br ZINC000106904566 530851780 /nfs/dbraw/zinc/85/17/80/530851780.db2.gz POLKAEWSJLFZSY-UHFFFAOYSA-N 1 0 386.294 1.142 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NCC1=CC[NH2+]CC1 ZINC000186353370 530855760 /nfs/dbraw/zinc/85/57/60/530855760.db2.gz VESRICZVVVQRLT-UHFFFAOYSA-N 1 0 383.539 1.501 20 0 GDADRO O=C(Cn1cnc2ccc(Br)cc2c1=O)NCC1=CC[NH2+]CC1 ZINC000186344254 530855895 /nfs/dbraw/zinc/85/58/95/530855895.db2.gz NVNMMOXWJGRJTE-UHFFFAOYSA-N 1 0 377.242 1.195 20 0 GDADRO CN(CC(=O)NC[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000108341150 530856607 /nfs/dbraw/zinc/85/66/07/530856607.db2.gz UBQNBUHQMWZVBG-LLVKDONJSA-N 1 0 379.935 1.480 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000186573705 530857898 /nfs/dbraw/zinc/85/78/98/530857898.db2.gz HACYOJWJCBEFPT-UHFFFAOYSA-N 1 0 382.939 1.273 20 0 GDADRO CN(CC[N@H+](C)C1CC1)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000186762932 530861992 /nfs/dbraw/zinc/86/19/92/530861992.db2.gz ZBQWNQLRHQSBGX-UHFFFAOYSA-N 1 0 397.317 1.530 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000186829146 530862798 /nfs/dbraw/zinc/86/27/98/530862798.db2.gz PDYPBDCBKZPEBE-SMDDNHRTSA-N 1 0 389.315 1.478 20 0 GDADRO C[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000186809657 530863319 /nfs/dbraw/zinc/86/33/19/530863319.db2.gz YHNJZNFVTSLAPS-GFCCVEGCSA-N 1 0 394.273 1.168 20 0 GDADRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000109805743 530864207 /nfs/dbraw/zinc/86/42/07/530864207.db2.gz MZMMITADANXWQR-ZDUSSCGKSA-N 1 0 375.441 1.647 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000187046952 530866444 /nfs/dbraw/zinc/86/64/44/530866444.db2.gz TXLOXKRTMJPFLQ-KGLIPLIRSA-N 1 0 388.555 1.801 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000110129252 530866511 /nfs/dbraw/zinc/86/65/11/530866511.db2.gz WHUJBGWOFPGKDK-UHFFFAOYSA-N 1 0 378.441 1.859 20 0 GDADRO Nc1cc[nH+]cc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000187221442 530869002 /nfs/dbraw/zinc/86/90/02/530869002.db2.gz QSJUCLSBPSQALE-UHFFFAOYSA-N 1 0 380.857 1.464 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000110814929 530870068 /nfs/dbraw/zinc/87/00/68/530870068.db2.gz SGBUAKBTKSJABG-UHFFFAOYSA-N 1 0 394.269 1.599 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000187393953 530872406 /nfs/dbraw/zinc/87/24/06/530872406.db2.gz KCGLBPUFHGCGJS-ZDUSSCGKSA-N 1 0 397.317 1.530 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000187472009 530873001 /nfs/dbraw/zinc/87/30/01/530873001.db2.gz SLCOXONEYZJKRY-UHFFFAOYSA-N 1 0 386.265 1.887 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1c[nH]nc1-c1cccs1)NC[C@H]1CCCCO1 ZINC000111405014 530875402 /nfs/dbraw/zinc/87/54/02/530875402.db2.gz FWDSCZPUTIBMFB-CQSZACIVSA-N 1 0 384.527 1.716 20 0 GDADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]12 ZINC000185116597 530837331 /nfs/dbraw/zinc/83/73/31/530837331.db2.gz ZCYXTXFJNDXSPI-CAPXZKIUSA-N 1 0 392.297 1.998 20 0 GDADRO CCCN(CC[NH+](C)C)C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000104531011 530838550 /nfs/dbraw/zinc/83/85/50/530838550.db2.gz SQJMNNQXCYADFE-UHFFFAOYSA-N 1 0 398.301 1.975 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000185232774 530838865 /nfs/dbraw/zinc/83/88/65/530838865.db2.gz QWYLUEUXNCPMEL-AWEZNQCLSA-N 1 0 381.782 1.726 20 0 GDADRO CSc1ccc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000185603027 530843828 /nfs/dbraw/zinc/84/38/28/530843828.db2.gz NOBCZBADSXSTQF-LBPRGKRZSA-N 1 0 377.963 1.976 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000185599791 530843989 /nfs/dbraw/zinc/84/39/89/530843989.db2.gz FMJIIJWNNOHRPP-UHFFFAOYSA-N 1 0 392.681 1.471 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188758078 530901362 /nfs/dbraw/zinc/90/13/62/530901362.db2.gz FOLDSOIYNCGSSE-UHFFFAOYSA-N 1 0 385.898 1.599 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000188845304 530902931 /nfs/dbraw/zinc/90/29/31/530902931.db2.gz KPIVRVSQOUAKJK-UHFFFAOYSA-N 1 0 389.319 1.532 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000116328707 530904286 /nfs/dbraw/zinc/90/42/86/530904286.db2.gz PMDFHRQTAZVVOE-OAHLLOKOSA-N 1 0 388.555 1.774 20 0 GDADRO C[C@H](O)C[NH+]1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000189361022 530911685 /nfs/dbraw/zinc/91/16/85/530911685.db2.gz XJSIWPPQGLBLPJ-LBPRGKRZSA-N 1 0 388.281 1.915 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(C)ccc2Br)CC1 ZINC000189121230 530908618 /nfs/dbraw/zinc/90/86/18/530908618.db2.gz GWTLQOYBDLIHTH-UHFFFAOYSA-N 1 0 390.347 1.673 20 0 GDADRO CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000116888407 530908865 /nfs/dbraw/zinc/90/88/65/530908865.db2.gz XUWRDNVQGHHTKX-SNVBAGLBSA-N 1 0 380.297 1.946 20 0 GDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)CCO1 ZINC000116900749 530909727 /nfs/dbraw/zinc/90/97/27/530909727.db2.gz KAQZXRWXXNDQLN-NSHDSACASA-N 1 0 381.267 1.539 20 0 GDADRO O=C(NCCSCCOc1cccc(Br)c1)[C@H]1C[NH2+]CCO1 ZINC000187736857 530877339 /nfs/dbraw/zinc/87/73/39/530877339.db2.gz CAZVBKBBKWJBDF-CQSZACIVSA-N 1 0 389.315 1.666 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000112311550 530880456 /nfs/dbraw/zinc/88/04/56/530880456.db2.gz CXQNKALFKRLVKC-UHFFFAOYSA-N 1 0 375.922 1.809 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)c(C)nc2OC)CC1 ZINC000188319995 530892061 /nfs/dbraw/zinc/89/20/61/530892061.db2.gz DZQZVCZJKKAXNV-GFCCVEGCSA-N 1 0 399.333 1.917 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114602506 530895823 /nfs/dbraw/zinc/89/58/23/530895823.db2.gz JPHCQJYWRXCCAE-UHFFFAOYSA-N 1 0 388.965 1.933 20 0 GDADRO O=C(NCC[N@@H+]1CCCOCC1)c1ccc(Br)cc1-n1cncn1 ZINC000189398210 530912133 /nfs/dbraw/zinc/91/21/33/530912133.db2.gz LGDFNXBNDMTRTL-UHFFFAOYSA-N 1 0 394.273 1.482 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000117719674 530914351 /nfs/dbraw/zinc/91/43/51/530914351.db2.gz WXPDKYRJLQCCQZ-APHBMKBZSA-N 1 0 385.917 1.750 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000118103872 530915784 /nfs/dbraw/zinc/91/57/84/530915784.db2.gz MJFSWVVIEDUQFR-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000118453713 530917526 /nfs/dbraw/zinc/91/75/26/530917526.db2.gz QRNPZFPBNQINMJ-UHFFFAOYSA-N 1 0 379.935 1.533 20 0 GDADRO O=C(Nc1ccccc1I)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189791968 530921276 /nfs/dbraw/zinc/92/12/76/530921276.db2.gz WTFKMDHSKMGMER-UHFFFAOYSA-N 1 0 399.232 1.536 20 0 GDADRO C[C@@H](C(=O)N(C)CC[NH+](C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000119439082 530925942 /nfs/dbraw/zinc/92/59/42/530925942.db2.gz YMPIYNBDEYPHSC-JTQLQIEISA-N 1 0 382.258 1.454 20 0 GDADRO O=S(=O)(NCCCCN1CC[NH+](CCO)CC1)c1ccc(Cl)cc1 ZINC000119512274 530926575 /nfs/dbraw/zinc/92/65/75/530926575.db2.gz LPLVAJZRGMOGNL-UHFFFAOYSA-N 1 0 375.922 1.008 20 0 GDADRO CC(C)[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccs1)[NH+]1CCCC1 ZINC000121673920 530960094 /nfs/dbraw/zinc/96/00/94/530960094.db2.gz XUSIZUQYHSRBQQ-CQSZACIVSA-N 1 0 388.559 1.446 20 0 GDADRO NC(=O)C1CC[NH+](CCCCNC(=O)Nc2cccnc2Br)CC1 ZINC000120036433 530935045 /nfs/dbraw/zinc/93/50/45/530935045.db2.gz OGGJRSCXYJBCKX-UHFFFAOYSA-N 1 0 398.305 1.943 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccnc(Cl)c1I ZINC000120616173 530943364 /nfs/dbraw/zinc/94/33/64/530943364.db2.gz CWEXBIGOWAHJAX-LBPRGKRZSA-N 1 0 397.644 1.382 20 0 GDADRO CCS(=O)(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191563825 530950538 /nfs/dbraw/zinc/95/05/38/530950538.db2.gz QFPHQHLZEGRQBW-UHFFFAOYSA-N 1 0 376.320 1.958 20 0 GDADRO CCS(=O)(=O)N(C)C1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000121243717 530953148 /nfs/dbraw/zinc/95/31/48/530953148.db2.gz XCFQNCBWOPDGLT-HNNXBMFYSA-N 1 0 376.544 1.372 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCC[NH+]2CCCC2)c1 ZINC000191859910 530956022 /nfs/dbraw/zinc/95/60/22/530956022.db2.gz HGUHFQPOAMSXFG-UHFFFAOYSA-N 1 0 376.320 1.889 20 0 GDADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000122532695 530972690 /nfs/dbraw/zinc/97/26/90/530972690.db2.gz SYIHXBPYYDUAIR-ZDUSSCGKSA-N 1 0 390.347 1.672 20 0 GDADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000192756010 530973645 /nfs/dbraw/zinc/97/36/45/530973645.db2.gz PMCSSMNYBRGXHI-UHFFFAOYSA-N 1 0 382.935 1.610 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000122928812 530976992 /nfs/dbraw/zinc/97/69/92/530976992.db2.gz PGXVFANTKIRSDF-CQSZACIVSA-N 1 0 388.555 1.945 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(Cl)c1 ZINC000123142872 530980231 /nfs/dbraw/zinc/98/02/31/530980231.db2.gz LROSCSKTVWMKKQ-HNNXBMFYSA-N 1 0 385.917 1.576 20 0 GDADRO COc1cc(S(=O)(=O)NCC[NH2+]C2CC2)c(OC)cc1Br ZINC000193258705 530982421 /nfs/dbraw/zinc/98/24/21/530982421.db2.gz NLIDSPJNDJIOAW-UHFFFAOYSA-N 1 0 379.276 1.497 20 0 GDADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000193277479 530983004 /nfs/dbraw/zinc/98/30/04/530983004.db2.gz MXQRYKUNHJQTLC-VIFPVBQESA-N 1 0 378.292 1.541 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000193335450 530984385 /nfs/dbraw/zinc/98/43/85/530984385.db2.gz GCTQJGARUGXPQA-GFCCVEGCSA-N 1 0 381.274 1.727 20 0 GDADRO CCC[NH2+]CCNS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000193346706 530984850 /nfs/dbraw/zinc/98/48/50/530984850.db2.gz TYUQARDPUJLJJD-UHFFFAOYSA-N 1 0 378.292 1.685 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192507851 530969552 /nfs/dbraw/zinc/96/95/52/530969552.db2.gz DIAZEXNOKCGLMB-MXWKQRLJSA-N 1 0 386.315 1.649 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000122416539 530971376 /nfs/dbraw/zinc/97/13/76/530971376.db2.gz GQSRXFXDJCIWIC-GFCCVEGCSA-N 1 0 378.491 1.192 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)COc1ccc(Br)cc1 ZINC000193689036 530991784 /nfs/dbraw/zinc/99/17/84/530991784.db2.gz GTWQWHKOQBECPT-CQSZACIVSA-N 1 0 398.301 1.674 20 0 GDADRO C[C@@H](C(=O)N(C)C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000193858714 530994864 /nfs/dbraw/zinc/99/48/64/530994864.db2.gz QPHKZRKBKPZYAF-LBPRGKRZSA-N 1 0 377.457 1.135 20 0 GDADRO C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000124493638 530997058 /nfs/dbraw/zinc/99/70/58/530997058.db2.gz WBPCIBCUTFEDRO-UHFFFAOYSA-N 1 0 377.913 1.925 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000193416884 530986064 /nfs/dbraw/zinc/98/60/64/530986064.db2.gz IIYCRMFBXHOCFS-GXFFZTMASA-N 1 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531011390 /nfs/dbraw/zinc/01/13/90/531011390.db2.gz NGGMXHDXDYHTLR-GWCFXTLKSA-N 1 0 392.319 1.215 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195088892 531015036 /nfs/dbraw/zinc/01/50/36/531015036.db2.gz NDTXXCBLUOPEEV-ZFWWWQNUSA-N 1 0 385.917 1.704 20 0 GDADRO C[C@@H](C[S@](C)=O)N(C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126178512 531015465 /nfs/dbraw/zinc/01/54/65/531015465.db2.gz VFCZMDIAJMTBGC-ODCWNRFASA-N 1 0 383.583 1.873 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000195113564 531015645 /nfs/dbraw/zinc/01/56/45/531015645.db2.gz GEJYEQRQALIXTM-LBPRGKRZSA-N 1 0 394.269 1.775 20 0 GDADRO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195249177 531019342 /nfs/dbraw/zinc/01/93/42/531019342.db2.gz JPDKFGLKYFIWKB-UPJWGTAASA-N 1 0 378.270 1.480 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000126615514 531020616 /nfs/dbraw/zinc/02/06/16/531020616.db2.gz UDHRDULKSDNRMO-UHFFFAOYSA-N 1 0 393.289 1.007 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000127079097 531025669 /nfs/dbraw/zinc/02/56/69/531025669.db2.gz KAGOQKVTIVURAM-ZJUUUORDSA-N 1 0 380.251 1.649 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000127728018 531033403 /nfs/dbraw/zinc/03/34/03/531033403.db2.gz BZBVEEMGIMQESA-UHFFFAOYSA-N 1 0 391.331 1.740 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)CCO1 ZINC000229507210 531033865 /nfs/dbraw/zinc/03/38/65/531033865.db2.gz YASVGIKAGGERGS-VIFPVBQESA-N 1 0 380.613 1.744 20 0 GDADRO C[NH+](C)C1(CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CCOCC1 ZINC000194314150 531003389 /nfs/dbraw/zinc/00/33/89/531003389.db2.gz RRLNCHJXZJNPJM-HNNXBMFYSA-N 1 0 383.286 1.980 20 0 GDADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000130719022 531063848 /nfs/dbraw/zinc/06/38/48/531063848.db2.gz NDQIZBQEAOLEBL-KBPBESRZSA-N 1 0 389.315 1.857 20 0 GDADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000236687661 531038890 /nfs/dbraw/zinc/03/88/90/531038890.db2.gz VZNXYUGULIHKRO-LRDDRELGSA-N 1 0 375.922 1.887 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236718393 531039851 /nfs/dbraw/zinc/03/98/51/531039851.db2.gz MXQSPHHOULBQMB-GFCCVEGCSA-N 1 0 381.274 1.631 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@H]1CCCC[NH2+]1 ZINC000236755910 531039916 /nfs/dbraw/zinc/03/99/16/531039916.db2.gz IHAPCEMSPMVDIV-GFCCVEGCSA-N 1 0 382.258 1.433 20 0 GDADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)NC[C@H]1CCC[NH2+]C1 ZINC000236766160 531040687 /nfs/dbraw/zinc/04/06/87/531040687.db2.gz UJLRKOAPBMQBMC-LBPRGKRZSA-N 1 0 393.285 1.665 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H](C)C[NH2+]C)c1 ZINC000236982431 531040912 /nfs/dbraw/zinc/04/09/12/531040912.db2.gz YMADDHSOQDIBSA-JTQLQIEISA-N 1 0 393.303 1.760 20 0 GDADRO C[NH2+]C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 ZINC000237124124 531043273 /nfs/dbraw/zinc/04/32/73/531043273.db2.gz NSYTWICVGDQLCH-CQSZACIVSA-N 1 0 385.555 1.668 20 0 GDADRO COC(=O)C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000237206864 531044150 /nfs/dbraw/zinc/04/41/50/531044150.db2.gz ZKPUUBYSYFBYQX-HUUCEWRRSA-N 1 0 399.285 1.938 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000237189272 531044193 /nfs/dbraw/zinc/04/41/93/531044193.db2.gz DYZBUZAAFPWKKB-ZDUSSCGKSA-N 1 0 381.523 1.812 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000237327812 531045288 /nfs/dbraw/zinc/04/52/88/531045288.db2.gz KNRJGOJDYCXCHF-TVQRCGJNSA-N 1 0 395.294 1.397 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000237592050 531047891 /nfs/dbraw/zinc/04/78/91/531047891.db2.gz JWPUYSZBRZFYNR-WCQYABFASA-N 1 0 393.285 1.887 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000237634702 531048587 /nfs/dbraw/zinc/04/85/87/531048587.db2.gz CCSALGANBSUVPW-SECBINFHSA-N 1 0 378.292 1.119 20 0 GDADRO Cc1c(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc(Br)cc1S(N)(=O)=O ZINC000237637029 531048613 /nfs/dbraw/zinc/04/86/13/531048613.db2.gz KSBCKTVAGILMPL-DTWKUNHWSA-N 1 0 390.303 1.227 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N(C)[C@H](C)C[NH3+] ZINC000237616436 531048705 /nfs/dbraw/zinc/04/87/05/531048705.db2.gz WUBITYXLDOOBNU-WDEREUQCSA-N 1 0 377.304 1.665 20 0 GDADRO C[C@H]1CCCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)[C@@H]1C[NH3+] ZINC000237629350 531048858 /nfs/dbraw/zinc/04/88/58/531048858.db2.gz AUVHRDGVCXSIFC-IINYFYTJSA-N 1 0 394.269 1.631 20 0 GDADRO C[C@@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)[C@@H](C)C[NH2+]1 ZINC000237602896 531048990 /nfs/dbraw/zinc/04/89/90/531048990.db2.gz SGIDNTWNVJISGP-MNOVXSKESA-N 1 0 379.258 1.368 20 0 GDADRO O=C(CCNC(=O)c1cc(F)ccc1Br)NC[C@H]1CCC[NH2+]C1 ZINC000237725156 531049376 /nfs/dbraw/zinc/04/93/76/531049376.db2.gz KPHBKJVYWSBHSY-NSHDSACASA-N 1 0 386.265 1.824 20 0 GDADRO C[C@H]1CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC[NH2+]1 ZINC000237735210 531049519 /nfs/dbraw/zinc/04/95/19/531049519.db2.gz WYIUYOORZVOTGX-JTQLQIEISA-N 1 0 380.242 1.256 20 0 GDADRO Cc1ccc(Cc2cnc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)s2)cc1F ZINC000237762143 531049645 /nfs/dbraw/zinc/04/96/45/531049645.db2.gz LNTAXTJJMQHZIT-AWEZNQCLSA-N 1 0 385.486 1.882 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(NC(=O)c3ccsc3)CC2)C1 ZINC000131179264 531068342 /nfs/dbraw/zinc/06/83/42/531068342.db2.gz FLGTUYNPTYLNKI-AWEZNQCLSA-N 1 0 385.555 1.614 20 0 GDADRO O=S(=O)(NCCCN1CC[NH2+]CC1)c1c(Cl)cccc1C(F)(F)F ZINC000237797055 531050384 /nfs/dbraw/zinc/05/03/84/531050384.db2.gz JGISLMUHKYKDAK-UHFFFAOYSA-N 1 0 385.839 1.932 20 0 GDADRO O=S(=O)(NCCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1Cl ZINC000237845260 531050649 /nfs/dbraw/zinc/05/06/49/531050649.db2.gz IBWQNSKBRGHAGD-UHFFFAOYSA-N 1 0 385.839 1.932 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC[C@@H]2CCC[NH2+]C2)s1 ZINC000237821188 531050712 /nfs/dbraw/zinc/05/07/12/531050712.db2.gz DPICBJNYMOCHAW-LSDHHAIUSA-N 1 0 385.555 1.716 20 0 GDADRO [NH3+]CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000237809651 531050938 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O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1cccc(Br)c1 ZINC000130052730 531057905 /nfs/dbraw/zinc/05/79/05/531057905.db2.gz URPZFYQTQGGBAR-OAHLLOKOSA-N 1 0 398.301 1.741 20 0 GDADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H]1c1cccs1 ZINC000131594234 531073296 /nfs/dbraw/zinc/07/32/96/531073296.db2.gz UNCRSYBRTIBRMR-IAQYHMDHSA-N 1 0 383.495 1.801 20 0 GDADRO CN1C(=O)NC2(CC[NH+](CCOc3cccc(Br)c3)CC2)C1=O ZINC000131551277 531073330 /nfs/dbraw/zinc/07/33/30/531073330.db2.gz WJSPKPKNKUNCBX-UHFFFAOYSA-N 1 0 382.258 1.844 20 0 GDADRO Cn1cc(N2CCC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000247361666 531074590 /nfs/dbraw/zinc/07/45/90/531074590.db2.gz CGAXRDFBUPNBLW-GOEBONIOSA-N 1 0 392.301 1.968 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000247665006 531076140 /nfs/dbraw/zinc/07/61/40/531076140.db2.gz YMUYWVVMZCGPNM-RDJZCZTQSA-N 1 0 386.539 1.336 20 0 GDADRO NC(=O)[C@@H]1CCCN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000247601442 531076354 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COC(=O)c1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000441974681 531367156 /nfs/dbraw/zinc/36/71/56/531367156.db2.gz ILKSRPVGQYRWNN-HNNXBMFYSA-N 1 0 392.930 1.842 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1cc(Br)ccc1-n1cccn1 ZINC000528682823 531370671 /nfs/dbraw/zinc/37/06/71/531370671.db2.gz SZTIGLFDGPKNOH-GFCCVEGCSA-N 1 0 380.246 1.745 20 0 GDADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N[C@@H]1CCSC1 ZINC000266811457 531370734 /nfs/dbraw/zinc/37/07/34/531370734.db2.gz YRWAOFRWZHFOMX-MRXNPFEDSA-N 1 0 379.551 1.838 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000480528701 531370814 /nfs/dbraw/zinc/37/08/14/531370814.db2.gz QJINOLAYDFHFAR-ZDUSSCGKSA-N 1 0 391.896 1.486 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1)[C@H]1CCC[N@H+](C)C1 ZINC000528652831 531370901 /nfs/dbraw/zinc/37/09/01/531370901.db2.gz FHOWKHJULSNQPG-NSHDSACASA-N 1 0 377.869 1.310 20 0 GDADRO Cc1cc(I)ccc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000528662204 531371449 /nfs/dbraw/zinc/37/14/49/531371449.db2.gz LXRDNDRYDGUHDY-LLVKDONJSA-N 1 0 375.210 1.710 20 0 GDADRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1cc(Cl)c(Br)cc1F ZINC000528698557 531372359 /nfs/dbraw/zinc/37/23/59/531372359.db2.gz VRCVYFFHHFGICZ-UHFFFAOYSA-N 1 0 393.644 1.795 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(I)cnn2C)C1 ZINC000292833379 531383107 /nfs/dbraw/zinc/38/31/07/531383107.db2.gz PFQVYMUGPHTJEC-JTQLQIEISA-N 1 0 376.242 1.439 20 0 GDADRO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000266999226 531385588 /nfs/dbraw/zinc/38/55/88/531385588.db2.gz CENOVNDANNQYJH-ZQIUZPCESA-N 1 0 390.933 1.779 20 0 GDADRO O=C(N1CC[NH2+]CC1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000530221908 531391008 /nfs/dbraw/zinc/39/10/08/531391008.db2.gz IQMZCBZZSQFESA-UHFFFAOYSA-N 1 0 385.281 1.731 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CCO1 ZINC000266955184 531380410 /nfs/dbraw/zinc/38/04/10/531380410.db2.gz HXESLAUOQIUVOO-GFCCVEGCSA-N 1 0 377.413 1.477 20 0 GDADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)NC[C@H]1COCC[NH2+]1 ZINC000529301799 531382404 /nfs/dbraw/zinc/38/24/04/531382404.db2.gz VZHNVMNQEUFOND-NSHDSACASA-N 1 0 386.246 1.008 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c(C)c1Cl ZINC000278862333 531397140 /nfs/dbraw/zinc/39/71/40/531397140.db2.gz RDTPFLRDHDMAFZ-UHFFFAOYSA-N 1 0 395.934 1.022 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000278861715 531397289 /nfs/dbraw/zinc/39/72/89/531397289.db2.gz FBAXIQSCMWDMCM-PBHICJAKSA-N 1 0 399.333 1.640 20 0 GDADRO CN(CC[N@H+](C)C1CC1)c1cnn(-c2ccccn2)c(=O)c1Br ZINC000293057201 531397770 /nfs/dbraw/zinc/39/77/70/531397770.db2.gz LZGVDLMSPMOTMD-UHFFFAOYSA-N 1 0 378.274 1.920 20 0 GDADRO CCC1(C)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000349613254 531401811 /nfs/dbraw/zinc/40/18/11/531401811.db2.gz WGUBAHXTGVHSLR-UHFFFAOYSA-N 1 0 389.543 1.396 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(F)c1Br)C[NH+](C)C ZINC000293141318 531403921 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CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000267224510 531413495 /nfs/dbraw/zinc/41/34/95/531413495.db2.gz ITVCDDADVZFVPC-MRXNPFEDSA-N 1 0 389.518 1.291 20 0 GDADRO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000447056669 531414482 /nfs/dbraw/zinc/41/44/82/531414482.db2.gz MOCBVQKMRNKSDY-APPZFPTMSA-N 1 0 389.275 1.437 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000267328228 531419910 /nfs/dbraw/zinc/41/99/10/531419910.db2.gz QVDOZMZYUVQUFD-MRXNPFEDSA-N 1 0 389.518 1.243 20 0 GDADRO COC(=O)[C@H]1CN(C(=O)COc2cc(Cl)cc(Cl)c2)CC[N@H+](C)C1 ZINC000413900484 531421867 /nfs/dbraw/zinc/42/18/67/531421867.db2.gz KWDVMMSIZRTVQA-LLVKDONJSA-N 1 0 375.252 1.935 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293443254 531422142 /nfs/dbraw/zinc/42/21/42/531422142.db2.gz PBNVMATYISONDQ-GARJFASQSA-N 1 0 386.315 1.839 20 0 GDADRO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000447244615 531422361 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O=S1(=O)CCC[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)C1 ZINC000414172242 531432411 /nfs/dbraw/zinc/43/24/11/531432411.db2.gz DNNBIOBYXHMGMM-WFASDCNBSA-N 1 0 394.306 1.906 20 0 GDADRO Cc1nn(C)c(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1Br ZINC000447899342 531440684 /nfs/dbraw/zinc/44/06/84/531440684.db2.gz SKVVUCHCNOJXDV-WDEREUQCSA-N 1 0 379.324 1.299 20 0 GDADRO Cc1c(Cl)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)sc1S(N)(=O)=O ZINC000279507352 531437564 /nfs/dbraw/zinc/43/75/64/531437564.db2.gz TZEUOTLMHJGYQE-PSASIEDQSA-N 1 0 379.935 1.770 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cnc3ccsc3c2)CC1 ZINC000267600083 531438111 /nfs/dbraw/zinc/43/81/11/531438111.db2.gz DMUFTFSWQKLTKH-CQSZACIVSA-N 1 0 382.555 1.848 20 0 GDADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)Nc1cccc(I)c1 ZINC000447911912 531440039 /nfs/dbraw/zinc/44/00/39/531440039.db2.gz IVFHBKYNDCZIPK-OLZOCXBDSA-N 1 0 390.221 1.359 20 0 GDADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414326845 531440179 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C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000363220565 531476462 /nfs/dbraw/zinc/47/64/62/531476462.db2.gz DVNDIJTZPQTZMU-OAHLLOKOSA-N 1 0 396.333 1.494 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000415343451 531476942 /nfs/dbraw/zinc/47/69/42/531476942.db2.gz BPMJPEQJBUBSFC-GHMZBOCLSA-N 1 0 384.274 1.901 20 0 GDADRO CS[C@@H]1CN(CC(=O)N2CCN(Cc3ccsc3)CC2)C[C@@H]1[NH+](C)C ZINC000537275288 531458087 /nfs/dbraw/zinc/45/80/87/531458087.db2.gz FPQPSZYZVSKOLC-DLBZAZTESA-N 1 0 382.599 1.370 20 0 GDADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414557680 531459092 /nfs/dbraw/zinc/45/90/92/531459092.db2.gz QKJDIUZUWSUZNT-UHFFFAOYSA-N 1 0 383.436 1.974 20 0 GDADRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000294070498 531460575 /nfs/dbraw/zinc/46/05/75/531460575.db2.gz HUDHDKSYDKRQPH-IPYPFGDCSA-N 1 0 376.906 1.829 20 0 GDADRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000414679607 531461579 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CCOC(=O)c1cc(Br)ccc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415347051 531477586 /nfs/dbraw/zinc/47/75/86/531477586.db2.gz ILTVFWFQKBLRSB-LLVKDONJSA-N 1 0 386.246 1.736 20 0 GDADRO COC[C@]1(CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CCC[NH2+]1 ZINC000415203777 531467769 /nfs/dbraw/zinc/46/77/69/531467769.db2.gz TWSZXWMYLVJJLC-OAHLLOKOSA-N 1 0 390.893 1.602 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363020442 531468070 /nfs/dbraw/zinc/46/80/70/531468070.db2.gz JVWNSSPTXCEWBA-GJZGRUSLSA-N 1 0 380.286 1.922 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000415203095 531468522 /nfs/dbraw/zinc/46/85/22/531468522.db2.gz QLCAHJHNOSBEOO-ZANVPECISA-N 1 0 390.893 1.946 20 0 GDADRO CSCC1CCC([NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)CC1 ZINC000449246172 531468726 /nfs/dbraw/zinc/46/87/26/531468726.db2.gz CRJKNEZXSDPDSW-UHFFFAOYSA-N 1 0 379.573 1.947 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000415261902 531469178 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[NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2I)C1 ZINC000415363952 531479188 /nfs/dbraw/zinc/47/91/88/531479188.db2.gz RKBCCDBIZZKVJH-QMMMGPOBSA-N 1 0 391.184 1.176 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)C1 ZINC000415365195 531479335 /nfs/dbraw/zinc/47/93/35/531479335.db2.gz UATRRNLEMGZSSD-NSHDSACASA-N 1 0 392.257 1.381 20 0 GDADRO COC(=O)c1c(Br)ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1C ZINC000415376686 531480982 /nfs/dbraw/zinc/48/09/82/531480982.db2.gz LFPHFJQTAVHCQA-SNVBAGLBSA-N 1 0 398.257 1.351 20 0 GDADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000280210574 531481417 /nfs/dbraw/zinc/48/14/17/531481417.db2.gz FZOBJZRHONVKLN-UHFFFAOYSA-N 1 0 398.179 1.964 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000415398752 531482466 /nfs/dbraw/zinc/48/24/66/531482466.db2.gz LFENWXXTUPCKHZ-UHFFFAOYSA-N 1 0 384.274 1.854 20 0 GDADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000363376948 531482860 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C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC[C@@H]1[NH3+] ZINC000415432512 531484992 /nfs/dbraw/zinc/48/49/92/531484992.db2.gz HEVIUBURCZJRIP-CPCISQLKSA-N 1 0 376.201 1.862 20 0 GDADRO Cn1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc(Br)c1=O ZINC000415426657 531485152 /nfs/dbraw/zinc/48/51/52/531485152.db2.gz NLIWFFFVICLXRX-CYBMUJFWSA-N 1 0 399.289 1.110 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)CC[C@@H]1[NH3+] ZINC000415440947 531486229 /nfs/dbraw/zinc/48/62/29/531486229.db2.gz MVRMYXQHUIKSMV-NHYWBVRUSA-N 1 0 397.317 1.645 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415442894 531486758 /nfs/dbraw/zinc/48/67/58/531486758.db2.gz SXQRTDMFPLXRSU-VIFPVBQESA-N 1 0 388.237 1.746 20 0 GDADRO COc1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1I ZINC000545156662 531488432 /nfs/dbraw/zinc/48/84/32/531488432.db2.gz XTKHVDNPIVZDSG-CQSZACIVSA-N 1 0 390.221 1.096 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415548649 531493540 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COc1cc(OC)c(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1Br ZINC000415543978 531492695 /nfs/dbraw/zinc/49/26/95/531492695.db2.gz YTOQONLXWFSIET-JTQLQIEISA-N 1 0 386.246 1.258 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000415352093 531478281 /nfs/dbraw/zinc/47/82/81/531478281.db2.gz OYIJCVRXOPCWOR-GHMZBOCLSA-N 1 0 384.274 1.901 20 0 GDADRO COC(=O)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)Oc1ccc(Br)cc1 ZINC000487785583 531478354 /nfs/dbraw/zinc/47/83/54/531478354.db2.gz PWBJOCWVRWGAHA-DFBGVHRSSA-N 1 0 399.285 1.683 20 0 GDADRO COC[C@@]1(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)CC[NH2+]C1 ZINC000581723614 531510594 /nfs/dbraw/zinc/51/05/94/531510594.db2.gz MMJHEBUOROWCRZ-CQSZACIVSA-N 1 0 385.287 2.465 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)ccc1Br ZINC000415673529 531512436 /nfs/dbraw/zinc/51/24/36/531512436.db2.gz CORZAASYGYCLIG-LLVKDONJSA-N 1 0 384.274 1.984 20 0 GDADRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000489922556 531513821 /nfs/dbraw/zinc/51/38/21/531513821.db2.gz JBYUDQIHEYSGDA-LLVKDONJSA-N 1 0 385.433 1.546 20 0 GDADRO [NH3+]C1(CNC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CCC1 ZINC000415689435 531514343 /nfs/dbraw/zinc/51/43/43/531514343.db2.gz WWRZHJPEMRXYBP-UHFFFAOYSA-N 1 0 384.278 1.684 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415681620 531514407 /nfs/dbraw/zinc/51/44/07/531514407.db2.gz RKYPMCUFTPBDGG-CPCISQLKSA-N 1 0 376.201 1.923 20 0 GDADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415717821 531519751 /nfs/dbraw/zinc/51/97/51/531519751.db2.gz DKGHCUGCEPTLAS-WOFXILAISA-N 1 0 384.230 1.584 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000581833141 531518180 /nfs/dbraw/zinc/51/81/80/531518180.db2.gz DJAKZEQSAWUNEV-NEPJUHHUSA-N 1 0 377.919 1.105 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1Br ZINC000415545553 531493733 /nfs/dbraw/zinc/49/37/33/531493733.db2.gz WIYNAAZDZFPZNC-UWVGGRQHSA-N 1 0 398.257 1.370 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000415566430 531495650 /nfs/dbraw/zinc/49/56/50/531495650.db2.gz VYWWUPSHCYUMPV-UHFFFAOYSA-N 1 0 384.230 1.172 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)NCC2([NH3+])CCC2)ccc1Br ZINC000415565021 531495805 /nfs/dbraw/zinc/49/58/05/531495805.db2.gz UERDQVJEMPOGSI-UHFFFAOYSA-N 1 0 398.257 1.480 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NCCCC[NH3+] ZINC000415577491 531496932 /nfs/dbraw/zinc/49/69/32/531496932.db2.gz ZGUVARSJFPKUJE-UHFFFAOYSA-N 1 0 376.226 1.781 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)[C@@H](C)C[NH2+]1 ZINC000415571114 531497165 /nfs/dbraw/zinc/49/71/65/531497165.db2.gz SZNRCNNIWZCABX-YUMQZZPRSA-N 1 0 376.201 1.875 20 0 GDADRO CS(=O)(=O)c1ccc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000581538979 531498161 /nfs/dbraw/zinc/49/81/61/531498161.db2.gz IYIYLUZEAUVYDL-GFCCVEGCSA-N 1 0 377.432 1.593 20 0 GDADRO Cn1ncc(Br)c1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000294798738 531498297 /nfs/dbraw/zinc/49/82/97/531498297.db2.gz CAMHENGLLPNDRZ-UHFFFAOYSA-N 1 0 382.262 1.448 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415600721 531501449 /nfs/dbraw/zinc/50/14/49/531501449.db2.gz OJOQCXSREHAEPW-SNVBAGLBSA-N 1 0 380.246 1.096 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cc(Br)ccn1 ZINC000415597976 531501942 /nfs/dbraw/zinc/50/19/42/531501942.db2.gz OJPZGHLUGQLKLM-SNVBAGLBSA-N 1 0 396.211 1.802 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1ccc(Br)cc1 ZINC000363682574 531502099 /nfs/dbraw/zinc/50/20/99/531502099.db2.gz LETOGGXUQPDQAV-KGLIPLIRSA-N 1 0 382.258 1.367 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000363710359 531503021 /nfs/dbraw/zinc/50/30/21/531503021.db2.gz XDEVZYSEVIQCSY-LBPRGKRZSA-N 1 0 389.905 1.169 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000581608568 531503136 /nfs/dbraw/zinc/50/31/36/531503136.db2.gz WIWSDFHGLNDCAE-KRWDZBQOSA-N 1 0 388.555 1.361 20 0 GDADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000363710358 531504090 /nfs/dbraw/zinc/50/40/90/531504090.db2.gz XDEVZYSEVIQCSY-GFCCVEGCSA-N 1 0 389.905 1.169 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415622359 531504599 /nfs/dbraw/zinc/50/45/99/531504599.db2.gz XUXROLSQPUQCFM-MADCSZMMSA-N 1 0 376.201 1.780 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415622357 531504606 /nfs/dbraw/zinc/50/46/06/531504606.db2.gz XUXROLSQPUQCFM-KRTXAFLBSA-N 1 0 376.201 1.780 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000658409900 531506387 /nfs/dbraw/zinc/50/63/87/531506387.db2.gz GOJGULSRLYXUBW-AWEZNQCLSA-N 1 0 389.543 1.056 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1Br ZINC000415633538 531506858 /nfs/dbraw/zinc/50/68/58/531506858.db2.gz YSEGDTCADGGTPR-CABZTGNLSA-N 1 0 398.257 1.288 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(C)OCCO1 ZINC000294936003 531507544 /nfs/dbraw/zinc/50/75/44/531507544.db2.gz BMWVKAYIYQMLNY-NSHDSACASA-N 1 0 387.274 1.815 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000557018591 531507768 /nfs/dbraw/zinc/50/77/68/531507768.db2.gz XCFPLDVBQDJJNH-RQJHMYQMSA-N 1 0 378.654 1.902 20 0 GDADRO C[C@@H]([NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CO ZINC000450728961 531508590 /nfs/dbraw/zinc/50/85/90/531508590.db2.gz NFAJPVHXRBEZMI-VXGBXAGGSA-N 1 0 391.921 1.525 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000415650130 531508743 /nfs/dbraw/zinc/50/87/43/531508743.db2.gz FFWIXPGOUBNRCX-ZWNOBZJWSA-N 1 0 384.274 1.901 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000280534686 531509979 /nfs/dbraw/zinc/50/99/79/531509979.db2.gz HEGWHKOFEGIQAC-CQSZACIVSA-N 1 0 389.543 1.088 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415663342 531510045 /nfs/dbraw/zinc/51/00/45/531510045.db2.gz WHRHTDLWGUZOPU-RDDDGLTNSA-N 1 0 376.201 1.780 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000635903252 531520369 /nfs/dbraw/zinc/52/03/69/531520369.db2.gz JJHJELQMFZBPKP-ZDUSSCGKSA-N 1 0 377.869 1.358 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccccc1I ZINC000415738445 531521270 /nfs/dbraw/zinc/52/12/70/531521270.db2.gz FKFSNOUGTRRVLR-SNVBAGLBSA-N 1 0 389.237 1.863 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000415748769 531523385 /nfs/dbraw/zinc/52/33/85/531523385.db2.gz QCGYFXAVGPGKME-MNOVXSKESA-N 1 0 382.258 1.464 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582004603 531526944 /nfs/dbraw/zinc/52/69/44/531526944.db2.gz WTWFBWBKFZPQJB-DYVFJYSZSA-N 1 0 385.917 1.609 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415780117 531528139 /nfs/dbraw/zinc/52/81/39/531528139.db2.gz CAATXJICCLVQBY-LBPRGKRZSA-N 1 0 383.290 1.841 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415780177 531528865 /nfs/dbraw/zinc/52/88/65/531528865.db2.gz KEKFRXUHKMWLIK-VIFPVBQESA-N 1 0 375.210 1.473 20 0 GDADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000550821180 531529089 /nfs/dbraw/zinc/52/90/89/531529089.db2.gz BDGSNKGZIBRWSP-IRXDYDNUSA-N 1 0 376.563 1.689 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC000415784210 531530128 /nfs/dbraw/zinc/53/01/28/531530128.db2.gz OPLHSRZSIZYUPW-MFKMUULPSA-N 1 0 382.258 1.607 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OC)cc1I ZINC000415788693 531530432 /nfs/dbraw/zinc/53/04/32/531530432.db2.gz OUJAUWSTWGKHIT-QMMMGPOBSA-N 1 0 391.209 1.092 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280715829 531531306 /nfs/dbraw/zinc/53/13/06/531531306.db2.gz JTKFAPROBKHPAI-PXAZEXFGSA-N 1 0 382.302 1.993 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1)C[NH+](C)C ZINC000551044431 531531848 /nfs/dbraw/zinc/53/18/48/531531848.db2.gz NINTVSBSFBVJDQ-GFCCVEGCSA-N 1 0 399.333 1.763 20 0 GDADRO COCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000415792537 531531993 /nfs/dbraw/zinc/53/19/93/531531993.db2.gz SDSVQKCSWQGRJW-LLVKDONJSA-N 1 0 379.791 1.402 20 0 GDADRO CC1CC[NH+](CC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000548918619 531520225 /nfs/dbraw/zinc/52/02/25/531520225.db2.gz AWTROWMXJVJPMV-UHFFFAOYSA-N 1 0 391.896 1.606 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cnc4ccsc4c3)CC2)C1 ZINC000364125683 531537703 /nfs/dbraw/zinc/53/77/03/531537703.db2.gz FOHOCZCSNSUNFK-CQSZACIVSA-N 1 0 380.539 1.697 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659076354 531538152 /nfs/dbraw/zinc/53/81/52/531538152.db2.gz CVIXVBKGSARAQH-MRVPVSSYSA-N 1 0 376.201 1.876 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[NH2+]CC2)c(Cl)cc1Br ZINC000659075611 531538871 /nfs/dbraw/zinc/53/88/71/531538871.db2.gz PYUCIQUKIDEHOK-UHFFFAOYSA-N 1 0 376.638 1.481 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415830706 531539205 /nfs/dbraw/zinc/53/92/05/531539205.db2.gz IRBLAGRZMYPXIE-ZDUSSCGKSA-N 1 0 384.274 1.499 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000280779689 531539825 /nfs/dbraw/zinc/53/98/25/531539825.db2.gz KETWBOFGBBSVCG-UHFFFAOYSA-N 1 0 394.273 1.171 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415835439 531540014 /nfs/dbraw/zinc/54/00/14/531540014.db2.gz PBMVRWSMMFSNKE-SNVBAGLBSA-N 1 0 379.766 1.792 20 0 GDADRO COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415835144 531540442 /nfs/dbraw/zinc/54/04/42/531540442.db2.gz LIIDIIPDFCXNRR-JTQLQIEISA-N 1 0 381.738 1.461 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000659106636 531541940 /nfs/dbraw/zinc/54/19/40/531541940.db2.gz ADOBNZNKRBFRBD-CYBMUJFWSA-N 1 0 386.265 1.967 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 ZINC000659112482 531542147 /nfs/dbraw/zinc/54/21/47/531542147.db2.gz JJYPUAQJRFIGGN-LLVKDONJSA-N 1 0 394.273 1.606 20 0 GDADRO C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+](C2CC2)C1 ZINC000295223449 531542777 /nfs/dbraw/zinc/54/27/77/531542777.db2.gz AVCJTMBJKZBHSB-CYBMUJFWSA-N 1 0 385.917 1.561 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000659103871 531542994 /nfs/dbraw/zinc/54/29/94/531542994.db2.gz DBSKFNCQNZSNSS-UHFFFAOYSA-N 1 0 389.253 1.804 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)cc1Br ZINC000415856606 531544629 /nfs/dbraw/zinc/54/46/29/531544629.db2.gz FTPIDXZCKSCHRM-GFCCVEGCSA-N 1 0 384.274 1.581 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415859127 531545395 /nfs/dbraw/zinc/54/53/95/531545395.db2.gz AILDFFJUGNNXAN-NEPJUHHUSA-N 1 0 396.285 1.773 20 0 GDADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCc2ccc(Br)cc21 ZINC000415869766 531546094 /nfs/dbraw/zinc/54/60/94/531546094.db2.gz DNSDWGDZWPDOSJ-UHFFFAOYSA-N 1 0 378.270 1.764 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)Oc1ccc(Br)cc1 ZINC000491055012 531546917 /nfs/dbraw/zinc/54/69/17/531546917.db2.gz DWRDBBNICYSTJT-XJKSGUPXSA-N 1 0 382.302 1.723 20 0 GDADRO CCOc1cc(Br)c(NC(=O)C(=O)N(C)CC[NH3+])cc1OCC ZINC000415879327 531548127 /nfs/dbraw/zinc/54/81/27/531548127.db2.gz PAXORSQKWHSTLX-UHFFFAOYSA-N 1 0 388.262 1.602 20 0 GDADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC[C@@H]2CCCCS2(=O)=O)[C@H](C(F)(F)F)C1 ZINC000551947784 531548419 /nfs/dbraw/zinc/54/84/19/531548419.db2.gz SNLPAYWPVJXIFR-YNEHKIRRSA-N 1 0 384.464 1.979 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415875851 531548625 /nfs/dbraw/zinc/54/86/25/531548625.db2.gz DXYIFGUDLCXIFY-UHFFFAOYSA-N 1 0 399.167 1.141 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000659491096 531548806 /nfs/dbraw/zinc/54/88/06/531548806.db2.gz OYGAJUDZYGOMOM-CQSZACIVSA-N 1 0 390.937 1.681 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Br)cc2c1OCCO2 ZINC000612659656 531553514 /nfs/dbraw/zinc/55/35/14/531553514.db2.gz QPERLILGTXVLGR-CYBMUJFWSA-N 1 0 399.285 1.797 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CCC(O)(C[NH3+])CC2)c1F ZINC000415886505 531549847 /nfs/dbraw/zinc/54/98/47/531549847.db2.gz LBOXJKVABQBJQV-UHFFFAOYSA-N 1 0 388.237 1.147 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415968933 531552021 /nfs/dbraw/zinc/55/20/21/531552021.db2.gz JIPJLBLCMJOMAX-LLVKDONJSA-N 1 0 382.408 1.613 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)CCCC1 ZINC000659683710 531552945 /nfs/dbraw/zinc/55/29/45/531552945.db2.gz AUYNMEWRMIFTGL-UHFFFAOYSA-N 1 0 394.313 1.985 20 0 GDADRO C[C@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@@H]1CCC[NH2+]C1 ZINC000582061655 531534084 /nfs/dbraw/zinc/53/40/84/531534084.db2.gz JALOQNWJORTSJC-VHSXEESVSA-N 1 0 382.258 1.898 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000415805621 531534558 /nfs/dbraw/zinc/53/45/58/531534558.db2.gz KTPYHHPQVRCOKH-BDAKNGLRSA-N 1 0 375.210 1.390 20 0 GDADRO Cc1cc(I)cc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)c1 ZINC000415806281 531534890 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C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281051108 531572659 /nfs/dbraw/zinc/57/26/59/531572659.db2.gz HZPKZHXPBRIDAR-HOSYDEDBSA-N 1 0 377.304 1.908 20 0 GDADRO C[NH2+][C@@H]1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000583380972 531573631 /nfs/dbraw/zinc/57/36/31/531573631.db2.gz PIKQJDIPHOAGNF-HZPDHXFCSA-N 1 0 385.917 1.568 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000364536682 531575240 /nfs/dbraw/zinc/57/52/40/531575240.db2.gz LUPFTTUSLQLSKT-CYBMUJFWSA-N 1 0 387.527 1.505 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000583440268 531575802 /nfs/dbraw/zinc/57/58/02/531575802.db2.gz VIEUHWNFQAOJCB-SNVBAGLBSA-N 1 0 383.392 1.107 20 0 GDADRO COC[C@H](C)OC[C@H](O)C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295424964 531575958 /nfs/dbraw/zinc/57/59/58/531575958.db2.gz VITQAJIQOPYEEO-WOSRLPQWSA-N 1 0 376.291 1.827 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CSCC(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000583511106 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GDADRO CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000584053896 531610100 /nfs/dbraw/zinc/61/01/00/531610100.db2.gz MCMJMDJKDFWMLJ-HOTGVXAUSA-N 1 0 397.317 1.118 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC1 ZINC000660249637 531616074 /nfs/dbraw/zinc/61/60/74/531616074.db2.gz NENGHRSLVTZRAF-STQMWFEESA-N 1 0 385.452 1.476 20 0 GDADRO Cc1cccc(Br)c1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000637227769 531615583 /nfs/dbraw/zinc/61/55/83/531615583.db2.gz HVSCXMHFQWFPDY-OAHLLOKOSA-N 1 0 396.329 1.894 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000281398487 531612688 /nfs/dbraw/zinc/61/26/88/531612688.db2.gz HOUVECOXVVYXIR-DUVNUKRYSA-N 1 0 381.318 1.850 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000584298885 531613035 /nfs/dbraw/zinc/61/30/35/531613035.db2.gz SUZFOXUTWKBRBP-UHFFFAOYSA-N 1 0 379.258 1.434 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000559901046 531613819 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CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661212094 531644448 /nfs/dbraw/zinc/64/44/48/531644448.db2.gz ZYWJGTKKLHDEGU-AGIUHOORSA-N 1 0 387.468 1.724 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)COc1ccc(Br)cn1 ZINC000638207439 531646681 /nfs/dbraw/zinc/64/66/81/531646681.db2.gz ARLNCDLCJSOGKB-CYBMUJFWSA-N 1 0 399.289 1.069 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC[C@H](C)[NH+](C)C ZINC000269330366 531646985 /nfs/dbraw/zinc/64/69/85/531646985.db2.gz XHUSADWMTRELRZ-QWRGUYRKSA-N 1 0 381.420 1.439 20 0 GDADRO CC(C)[NH+](CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(C)C ZINC000269334844 531647104 /nfs/dbraw/zinc/64/71/04/531647104.db2.gz JDQZAWSURMYJPM-UHFFFAOYSA-N 1 0 395.522 1.594 20 0 GDADRO COCc1csc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000499382657 531647237 /nfs/dbraw/zinc/64/72/37/531647237.db2.gz MBQBYRHSQYZJNK-UHFFFAOYSA-N 1 0 382.511 1.880 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)C1 ZINC000637821581 531635436 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1.488 20 0 GDADRO O=C(c1c(F)cccc1Br)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638478919 531653441 /nfs/dbraw/zinc/65/34/41/531653441.db2.gz SSYLPADASZXXOQ-UHFFFAOYSA-N 1 0 399.264 1.371 20 0 GDADRO NS(=O)(=O)c1ccc(OCC[NH2+][C@H](CO)c2cccc(Cl)c2F)cc1 ZINC000499953277 531653457 /nfs/dbraw/zinc/65/34/57/531653457.db2.gz VOOABTWEAVQTMB-OAHLLOKOSA-N 1 0 388.848 1.829 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCCOC2)c1 ZINC000560571366 531654017 /nfs/dbraw/zinc/65/40/17/531654017.db2.gz JLIKWSHBBHRZPY-GFCCVEGCSA-N 1 0 377.304 1.804 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)NC(C)(C)C[NH+](C)C)c(Br)c1 ZINC000416507439 531654708 /nfs/dbraw/zinc/65/47/08/531654708.db2.gz KLHBMRWDHBSMTD-UHFFFAOYSA-N 1 0 393.303 1.854 20 0 GDADRO CCN(CC[NH3+])C(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000638522796 531657264 /nfs/dbraw/zinc/65/72/64/531657264.db2.gz XZSXIITYLAWBMC-UHFFFAOYSA-N 1 0 381.420 1.571 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000638617214 531658720 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O=S(=O)(Cc1ccc(Br)cc1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451672193 531662764 /nfs/dbraw/zinc/66/27/64/531662764.db2.gz SBQVXZGROGEHRD-HNNXBMFYSA-N 1 0 391.331 1.715 20 0 GDADRO CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)[C@H]1CC[N@H+](C)C1 ZINC000617559955 531663109 /nfs/dbraw/zinc/66/31/09/531663109.db2.gz DIIYPWNVINTFIF-AWEZNQCLSA-N 1 0 385.555 1.628 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)CCOCC[NH3+] ZINC000638674076 531665052 /nfs/dbraw/zinc/66/50/52/531665052.db2.gz DNUHRYMCKFEBBK-UHFFFAOYSA-N 1 0 381.274 1.991 20 0 GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000365609296 531665302 /nfs/dbraw/zinc/66/53/02/531665302.db2.gz MQNDNKPARBJMHZ-XJKSGUPXSA-N 1 0 385.917 1.704 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C[NH+]1CCCC1 ZINC000500655780 531666183 /nfs/dbraw/zinc/66/61/83/531666183.db2.gz ZPMFALOANIZJBJ-GFCCVEGCSA-N 1 0 389.905 1.214 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)sc1Br ZINC000281888016 531673792 /nfs/dbraw/zinc/67/37/92/531673792.db2.gz GTNYCIXFRZFXFU-MRVPVSSYSA-N 1 0 396.332 1.359 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(S(N)(=O)=O)c(Br)c3)[C@@H]2C1 ZINC000638917114 531675344 /nfs/dbraw/zinc/67/53/44/531675344.db2.gz ALWHOWNFNLJRGX-TZMCWYRMSA-N 1 0 388.331 1.623 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)cn1 ZINC000416552882 531676273 /nfs/dbraw/zinc/67/62/73/531676273.db2.gz IKUUETGGJBFCHG-UHFFFAOYSA-N 1 0 383.495 1.682 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000638940122 531677133 /nfs/dbraw/zinc/67/71/33/531677133.db2.gz IATKQOYMHCCEMB-DOMZBBRYSA-N 1 0 385.917 1.689 20 0 GDADRO [NH3+]CCn1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)nn1 ZINC000662412626 531678610 /nfs/dbraw/zinc/67/86/10/531678610.db2.gz RBPXLCXDTUIVAT-CQSZACIVSA-N 1 0 380.246 1.213 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639024389 531679253 /nfs/dbraw/zinc/67/92/53/531679253.db2.gz NZRSMZBHOCNOCE-HIFRSBDPSA-N 1 0 380.286 1.779 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000639022750 531680539 /nfs/dbraw/zinc/68/05/39/531680539.db2.gz IEHRQPFIXNFKTI-CHWSQXEVSA-N 1 0 379.507 1.579 20 0 GDADRO COc1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc2c1OCCO2 ZINC000269493229 531680983 /nfs/dbraw/zinc/68/09/83/531680983.db2.gz OISHAKPCNPTEEH-UHFFFAOYSA-N 1 0 384.479 1.596 20 0 GDADRO CCN(C(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000502494080 531682068 /nfs/dbraw/zinc/68/20/68/531682068.db2.gz JJRZCMFJVLUFIR-XJFOESAGSA-N 1 0 382.473 1.551 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)nc12 ZINC000561187950 531683475 /nfs/dbraw/zinc/68/34/75/531683475.db2.gz OZPIMIFDAHDCES-WDNDVIMCSA-N 1 0 378.274 1.465 20 0 GDADRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000639137207 531683476 /nfs/dbraw/zinc/68/34/76/531683476.db2.gz UYMHDKUPINFMCT-AAEUAGOBSA-N 1 0 375.441 1.280 20 0 GDADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000662524514 531685118 /nfs/dbraw/zinc/68/51/18/531685118.db2.gz XRABHBXBTUBGPN-BXUZGUMPSA-N 1 0 386.279 1.642 20 0 GDADRO COc1cc(F)cc(OC)c1CN1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000639193218 531685389 /nfs/dbraw/zinc/68/53/89/531685389.db2.gz IIYJDSMOYPIRNF-UHFFFAOYSA-N 1 0 375.466 1.157 20 0 GDADRO [NH3+][C@H](CNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C1CC1 ZINC000662550275 531686923 /nfs/dbraw/zinc/68/69/23/531686923.db2.gz GHYVGMFKOLTUIK-CQSZACIVSA-N 1 0 393.285 1.374 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(C)(C)C[NH+](C)C ZINC000501011814 531671632 /nfs/dbraw/zinc/67/16/32/531671632.db2.gz FGDRZBRWOLNDDY-LLVKDONJSA-N 1 0 391.921 1.459 20 0 GDADRO CC(C)(C)n1cc(Br)c(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000662780558 531696040 /nfs/dbraw/zinc/69/60/40/531696040.db2.gz QGYNGRFPMAGTSG-GFCCVEGCSA-N 1 0 384.322 1.520 20 0 GDADRO C[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)Oc1ccc(Br)cc1 ZINC000269600052 531696483 /nfs/dbraw/zinc/69/64/83/531696483.db2.gz HFXOVFDJEVYLJU-MFKMUULPSA-N 1 0 393.303 1.095 20 0 GDADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)N1 ZINC000639616859 531696480 /nfs/dbraw/zinc/69/64/80/531696480.db2.gz GLTQYSIPFSYOLA-LRDDRELGSA-N 1 0 388.251 1.407 20 0 GDADRO O=C(Nc1c[nH]cc(Br)c1=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662792827 531696896 /nfs/dbraw/zinc/69/68/96/531696896.db2.gz SYBYROCSGZDNQC-VIFPVBQESA-N 1 0 381.234 1.296 20 0 GDADRO NS(=O)(=O)c1cc(Br)cnc1NCCC[NH+]1CCCCC1 ZINC000504013566 531697037 /nfs/dbraw/zinc/69/70/37/531697037.db2.gz AKAMGAPKILSKGF-UHFFFAOYSA-N 1 0 377.308 1.779 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000662930779 531699666 /nfs/dbraw/zinc/69/96/66/531699666.db2.gz VFMGVMSXNOWDQQ-UHFFFAOYSA-N 1 0 378.270 1.284 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000662921193 531700409 /nfs/dbraw/zinc/70/04/09/531700409.db2.gz FYUDPCZFJRNGIF-UHFFFAOYSA-N 1 0 397.547 1.770 20 0 GDADRO C[C@@]12C[NH+](Cc3cc4c(cc3Br)OCO4)C[C@@]1(C)C(=O)NC2=O ZINC000639363725 531690417 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C[C@@H](C[NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000562519506 531761476 /nfs/dbraw/zinc/76/14/76/531761476.db2.gz SWWCISRHXGAPJM-ZDUSSCGKSA-N 1 0 376.544 1.501 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000562543766 531762533 /nfs/dbraw/zinc/76/25/33/531762533.db2.gz HAANJTGYHLGJKJ-CQSZACIVSA-N 1 0 381.489 1.238 20 0 GDADRO Brc1ccc(-c2nnc(Cn3cc(C[C@@H]4CC[NH2+]C4)nn3)o2)o1 ZINC000640796003 531764911 /nfs/dbraw/zinc/76/49/11/531764911.db2.gz XAGBDJGWJBGKSZ-VIFPVBQESA-N 1 0 379.218 1.884 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(Cc2cc3c(cc2Br)OCCO3)nn1 ZINC000640852197 531766215 /nfs/dbraw/zinc/76/62/15/531766215.db2.gz QMRVLDUXXPHDHX-NSHDSACASA-N 1 0 383.246 1.376 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)NCCNc1ncc(Cl)cc1Cl ZINC000417069853 531751495 /nfs/dbraw/zinc/75/14/95/531751495.db2.gz UTRJANCWBLLMRJ-UHFFFAOYSA-N 1 0 375.304 1.395 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CCO1 ZINC000667401078 531780212 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GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)cc1I ZINC000592363590 531781584 /nfs/dbraw/zinc/78/15/84/531781584.db2.gz WAOOOGAGERFAFM-JTQLQIEISA-N 1 0 380.251 1.711 20 0 GDADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3c(Br)cnn3C)nn2)n1 ZINC000641162817 531782545 /nfs/dbraw/zinc/78/25/45/531782545.db2.gz VTLJGXDJXDJBAV-UHFFFAOYSA-N 1 0 379.266 1.177 20 0 GDADRO CN(Cc1ccc(F)c(Cl)c1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000562837570 531783425 /nfs/dbraw/zinc/78/34/25/531783425.db2.gz OORKKYXUYOOLBZ-KRWDZBQOSA-N 1 0 387.908 1.991 20 0 GDADRO O=S1(=O)CCC[C@H]([NH2+]CCOc2ccc(I)cc2)C1 ZINC000282526604 531767070 /nfs/dbraw/zinc/76/70/70/531767070.db2.gz VAGJQPBAHYLAEY-LBPRGKRZSA-N 1 0 395.262 1.837 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(Cc2cc3c(cc2Br)OCO3)nn1 ZINC000640852274 531767566 /nfs/dbraw/zinc/76/75/66/531767566.db2.gz CRZYBKJJGTUUAL-NSHDSACASA-N 1 0 383.246 1.724 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417404869 531768195 /nfs/dbraw/zinc/76/81/95/531768195.db2.gz FKAXVUQRVAQYCT-UHFFFAOYSA-N 1 0 385.306 1.805 20 0 GDADRO C[C@@H]1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000417404192 531768406 /nfs/dbraw/zinc/76/84/06/531768406.db2.gz DPTONYXLDHPQNB-DOMZBBRYSA-N 1 0 397.317 1.948 20 0 GDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2sccc2S(N)(=O)=O)C1 ZINC000667045262 531770053 /nfs/dbraw/zinc/77/00/53/531770053.db2.gz CRTRULBWTLRTQK-OCCSQVGLSA-N 1 0 379.507 1.961 20 0 GDADRO C[C@H]1CN(C(=O)CCn2cc(Br)ccc2=O)CC[N@@H+](C2CC2)C1 ZINC000452171004 531771699 /nfs/dbraw/zinc/77/16/99/531771699.db2.gz JPCOFVWVJRKUDX-CYBMUJFWSA-N 1 0 382.302 1.944 20 0 GDADRO C[C@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000417444479 531772819 /nfs/dbraw/zinc/77/28/19/531772819.db2.gz YNZGHAHKFHQWLX-GXTWGEPZSA-N 1 0 397.317 1.866 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417586144 531783156 /nfs/dbraw/zinc/78/31/56/531783156.db2.gz QFFIWBMWLAGVOE-UHFFFAOYSA-N 1 0 385.306 1.834 20 0 GDADRO O=C(NC[C@H](O)COc1ccccc1Br)N[C@H]1CCC[NH2+]CC1 ZINC000641023553 531774037 /nfs/dbraw/zinc/77/40/37/531774037.db2.gz FVFZYVFLRIYQBF-STQMWFEESA-N 1 0 386.290 1.630 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1COc2ccc(Br)cc21 ZINC000452376047 531774744 /nfs/dbraw/zinc/77/47/44/531774744.db2.gz YPFVZBFONOXVBZ-ZFWWWQNUSA-N 1 0 383.286 1.888 20 0 GDADRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000562738998 531776136 /nfs/dbraw/zinc/77/61/36/531776136.db2.gz CVTIZFJOVLYDBG-AWEZNQCLSA-N 1 0 389.543 1.123 20 0 GDADRO O=C(NCCCNC(=O)c1ccc(Br)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000417469132 531776939 /nfs/dbraw/zinc/77/69/39/531776939.db2.gz ZDUMKUIROFXVHQ-CQSZACIVSA-N 1 0 383.290 1.620 20 0 GDADRO CC(C)NC(=O)NCCn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641101363 531777888 /nfs/dbraw/zinc/77/78/88/531777888.db2.gz RBFSVFTVUNNHBV-AWEZNQCLSA-N 1 0 381.278 1.796 20 0 GDADRO CC(C)(C)NS(=O)(=O)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000622369754 531778200 /nfs/dbraw/zinc/77/82/00/531778200.db2.gz PGVLVHOAJYMCTI-UHFFFAOYSA-N 1 0 385.555 1.892 20 0 GDADRO CC1(C)CN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000417495218 531778314 /nfs/dbraw/zinc/77/83/14/531778314.db2.gz ZQOPVPLRSKPFQP-UHFFFAOYSA-N 1 0 397.317 1.962 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418087241 531800867 /nfs/dbraw/zinc/80/08/67/531800867.db2.gz GNBQIEULUINIJA-HNNXBMFYSA-N 1 0 395.301 1.996 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000668506957 531801298 /nfs/dbraw/zinc/80/12/98/531801298.db2.gz LWCHKBGXYSHBKH-QCZZGDTMSA-N 1 0 380.279 1.921 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000417586265 531783518 /nfs/dbraw/zinc/78/35/18/531783518.db2.gz QWMYVMGEFGMGDF-CQSZACIVSA-N 1 0 376.226 1.785 20 0 GDADRO CS(=O)(=O)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000417603995 531783702 /nfs/dbraw/zinc/78/37/02/531783702.db2.gz AQBCWLHYOWEVQC-IUODEOHRSA-N 1 0 375.441 1.144 20 0 GDADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000297341741 531783915 /nfs/dbraw/zinc/78/39/15/531783915.db2.gz SNUXYFRSCCBDLL-CZUORRHYSA-N 1 0 399.333 1.370 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(C[C@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641195862 531784468 /nfs/dbraw/zinc/78/44/68/531784468.db2.gz JUFSXAYMOLVTIA-AAEUAGOBSA-N 1 0 375.256 1.541 20 0 GDADRO C[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)Oc1cccc(Br)c1 ZINC000417785496 531785456 /nfs/dbraw/zinc/78/54/56/531785456.db2.gz DCRDXHXUZDLQME-SWLSCSKDSA-N 1 0 386.290 1.976 20 0 GDADRO COC[C@H](C)OC[C@@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641219666 531786099 /nfs/dbraw/zinc/78/60/99/531786099.db2.gz BOPNBDYWUIJLMN-PJODQICGSA-N 1 0 399.289 1.501 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Br)cc3-n3cnnn3)C[C@@H]21 ZINC000622879249 531786779 /nfs/dbraw/zinc/78/67/79/531786779.db2.gz IXGQWURKNYIYFH-YGRLFVJLSA-N 1 0 377.246 1.201 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC000282706213 531786846 /nfs/dbraw/zinc/78/68/46/531786846.db2.gz YIDFZGGZIGUZGW-QMTHXVAHSA-N 1 0 382.877 1.235 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)[C@@H](C)[C@H]1[NH3+] ZINC000297380078 531786991 /nfs/dbraw/zinc/78/69/91/531786991.db2.gz MVZMEEJKSDWCEC-BYULHYEWSA-N 1 0 396.332 1.356 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000269858995 531787296 /nfs/dbraw/zinc/78/72/96/531787296.db2.gz RXCCLUZKEKDHFR-UHFFFAOYSA-N 1 0 382.313 1.902 20 0 GDADRO C[C@@H](CO)[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000282716144 531788178 /nfs/dbraw/zinc/78/81/78/531788178.db2.gz HDUUMROWCBCQOE-NSHDSACASA-N 1 0 377.894 1.232 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000622886956 531788667 /nfs/dbraw/zinc/78/86/67/531788667.db2.gz HIPNSJMNZLFCMR-GFCCVEGCSA-N 1 0 379.262 1.591 20 0 GDADRO O[C@@H](COc1cc(F)cc(Br)c1)Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641230021 531788791 /nfs/dbraw/zinc/78/87/91/531788791.db2.gz VIDHTLNLQCVXJS-IAQYHMDHSA-N 1 0 399.264 1.772 20 0 GDADRO CCCN(C(=O)NCCNS(=O)(=O)c1cc(C)sc1C)[C@@H]1CC[NH2+]C1 ZINC000417913526 531790989 /nfs/dbraw/zinc/79/09/89/531790989.db2.gz QKQKLKXOZCAJFO-CQSZACIVSA-N 1 0 388.559 1.427 20 0 GDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N(C)CC(C)(C)C[NH3+])c(C)s1 ZINC000417915020 531791505 /nfs/dbraw/zinc/79/15/05/531791505.db2.gz TVCGXEFBMYUWSQ-UHFFFAOYSA-N 1 0 376.548 1.270 20 0 GDADRO C[NH+]1CCN(CCCNc2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641266980 531792074 /nfs/dbraw/zinc/79/20/74/531792074.db2.gz NTIKZBNYAKHRJL-UHFFFAOYSA-N 1 0 382.228 2.307 20 0 GDADRO C[C@@H](CCCC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000417925832 531792260 /nfs/dbraw/zinc/79/22/60/531792260.db2.gz JYCBYFULPGPJIZ-JTQLQIEISA-N 1 0 382.939 1.497 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(F)F ZINC000417957036 531793450 /nfs/dbraw/zinc/79/34/50/531793450.db2.gz FJNPAAKTIWYLGI-PRHODGIISA-N 1 0 378.782 1.866 20 0 GDADRO C[C@](CO)([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccc(Br)cc1 ZINC000511585538 531793720 /nfs/dbraw/zinc/79/37/20/531793720.db2.gz CHSGKLAYPUJPIJ-MRXNPFEDSA-N 1 0 377.242 1.782 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000417998807 531794663 /nfs/dbraw/zinc/79/46/63/531794663.db2.gz VGOHOJGODWKINZ-UGFHNGPFSA-N 1 0 386.290 1.894 20 0 GDADRO COCCCn1nccc1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000282790108 531795189 /nfs/dbraw/zinc/79/51/89/531795189.db2.gz YNIRYTVRJBHFQN-UHFFFAOYSA-N 1 0 386.905 1.641 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(Br)cc1-n1cnnn1)C2 ZINC000623025632 531795202 /nfs/dbraw/zinc/79/52/02/531795202.db2.gz PBMDKUDDOAWAHZ-UHFFFAOYSA-N 1 0 377.246 1.203 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N3CC[C@@H](C[NH3+])C3)C2=O)ccc1Br ZINC000418004787 531795835 /nfs/dbraw/zinc/79/58/35/531795835.db2.gz CNUULLLKIKSARW-WFASDCNBSA-N 1 0 395.301 1.853 20 0 GDADRO COC(=O)CN(C)C(=O)CC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511611308 531796698 /nfs/dbraw/zinc/79/66/98/531796698.db2.gz QUVRURKBTUTEQJ-INIZCTEOSA-N 1 0 387.274 1.268 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)NC[C@H]([NH3+])C3CC3)C2=O)ccc1Br ZINC000418019497 531797250 /nfs/dbraw/zinc/79/72/50/531797250.db2.gz XKHXCVVKNDJWBO-GJZGRUSLSA-N 1 0 395.301 1.899 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)NCC(C)(C)[NH3+])C2=O)ccc1Br ZINC000418010831 531797323 /nfs/dbraw/zinc/79/73/23/531797323.db2.gz KADNCZFHEUNDOM-CYBMUJFWSA-N 1 0 383.290 1.899 20 0 GDADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000623060192 531798406 /nfs/dbraw/zinc/79/84/06/531798406.db2.gz HMBWARIYZWMNFV-LBPRGKRZSA-N 1 0 378.274 1.954 20 0 GDADRO COc1cc(CS(=O)(=O)N2CCCN(C[C@H]3CCCO3)CC2)sn1 ZINC000641302136 531799555 /nfs/dbraw/zinc/79/95/55/531799555.db2.gz YYBIPRDQMIOJAA-CYBMUJFWSA-N 1 0 375.516 1.168 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418135207 531802869 /nfs/dbraw/zinc/80/28/69/531802869.db2.gz ACOSPWZMYDVJDV-CYBMUJFWSA-N 1 0 390.937 1.825 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000514790608 531805374 /nfs/dbraw/zinc/80/53/74/531805374.db2.gz GEDIBQRDUTVGAG-CQSZACIVSA-N 1 0 385.555 1.676 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418149902 531805693 /nfs/dbraw/zinc/80/56/93/531805693.db2.gz PZPLHBZKJWTQNP-ZDUSSCGKSA-N 1 0 376.910 1.291 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)NCCOc2ccc(I)cc2)C1 ZINC000418150653 531805863 /nfs/dbraw/zinc/80/58/63/531805863.db2.gz DCXDOKNHVDAVGE-NSHDSACASA-N 1 0 389.237 1.660 20 0 GDADRO COc1nc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ncc1Br ZINC000367060112 531805927 /nfs/dbraw/zinc/80/59/27/531805927.db2.gz NMEGCUWLWABSSZ-GXTWGEPZSA-N 1 0 384.322 1.710 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000668786754 531806297 /nfs/dbraw/zinc/80/62/97/531806297.db2.gz HHIXHGLPGWBKSL-CYBMUJFWSA-N 1 0 388.295 1.837 20 0 GDADRO CCC[N@H+](C)CC(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000592871627 531806885 /nfs/dbraw/zinc/80/68/85/531806885.db2.gz FFSCAFZKMAJJQK-UHFFFAOYSA-N 1 0 375.560 1.779 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cc(OC)ns2)[C@@H](C)C1 ZINC000641330613 531807189 /nfs/dbraw/zinc/80/71/89/531807189.db2.gz POHVLOMGEYFVTK-ZFWWWQNUSA-N 1 0 391.559 1.708 20 0 GDADRO Cc1ncc(S(=O)(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000269938231 531808223 /nfs/dbraw/zinc/80/82/23/531808223.db2.gz FASUOXWFEFQDQV-UHFFFAOYSA-N 1 0 381.527 1.337 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418159491 531808306 /nfs/dbraw/zinc/80/83/06/531808306.db2.gz CPUTUQWGTALNAY-HNNXBMFYSA-N 1 0 392.884 1.138 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000563119624 531808487 /nfs/dbraw/zinc/80/84/87/531808487.db2.gz YOQIJVDSTBMHBF-SECBINFHSA-N 1 0 381.832 1.094 20 0 GDADRO CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000514987775 531809084 /nfs/dbraw/zinc/80/90/84/531809084.db2.gz TXQMFODELDTPFL-AWEZNQCLSA-N 1 0 384.274 1.675 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)c2ncc(Br)cc2Br)CCO1 ZINC000563109900 531809260 /nfs/dbraw/zinc/80/92/60/531809260.db2.gz KGSHTFYPYCJIPL-QMMMGPOBSA-N 1 0 379.052 1.406 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418163693 531810036 /nfs/dbraw/zinc/81/00/36/531810036.db2.gz HAMPYDCHMPKWOJ-VXGBXAGGSA-N 1 0 392.884 1.327 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000418165753 531810155 /nfs/dbraw/zinc/81/01/55/531810155.db2.gz ILBVLJQHPCYYOJ-GWCFXTLKSA-N 1 0 392.884 1.055 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(c4ccccc4Br)C3=O)C[C@@H]21 ZINC000453038659 531811316 /nfs/dbraw/zinc/81/13/16/531811316.db2.gz QDTAAUXHLMUYDC-IOASZLSFSA-N 1 0 392.297 1.965 20 0 GDADRO CN(C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000563143233 531812170 /nfs/dbraw/zinc/81/21/70/531812170.db2.gz PCULIQSTVJNWHW-NWDGAFQWSA-N 1 0 381.698 1.354 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCC(=O)Nc1ccc(I)cc1 ZINC000418168383 531812704 /nfs/dbraw/zinc/81/27/04/531812704.db2.gz LUHJDHNPVMGISW-BDAKNGLRSA-N 1 0 390.225 1.265 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000563140831 531812686 /nfs/dbraw/zinc/81/26/86/531812686.db2.gz GLGDSGYPTPZGFQ-GHMZBOCLSA-N 1 0 386.294 1.051 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCc1cc(F)c(F)cc1Br ZINC000418173412 531813314 /nfs/dbraw/zinc/81/33/14/531813314.db2.gz BZXCONKMEVURHQ-JTQLQIEISA-N 1 0 377.233 1.430 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F)C1CC1 ZINC000269961198 531813569 /nfs/dbraw/zinc/81/35/69/531813569.db2.gz ZTQJNSZFKQQEQR-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418185345 531814117 /nfs/dbraw/zinc/81/41/17/531814117.db2.gz OVKWTIRXCJVBOD-CHWSQXEVSA-N 1 0 388.921 1.305 20 0 GDADRO C[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)Oc1ccccc1Br ZINC000669518092 531814749 /nfs/dbraw/zinc/81/47/49/531814749.db2.gz DBZSWLGYJJJCBJ-XUJVJEKNSA-N 1 0 386.290 1.974 20 0 GDADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000367149940 531814984 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COc1ccc(Br)c(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000418774086 531839981 /nfs/dbraw/zinc/83/99/81/531839981.db2.gz CSQVJZLZDCQPDH-ABAIWWIYSA-N 1 0 398.301 1.660 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000563375271 531830100 /nfs/dbraw/zinc/83/01/00/531830100.db2.gz CGNIOLQDMYUYCO-UHFFFAOYSA-N 1 0 389.905 1.218 20 0 GDADRO C[NH+](C)C1CC(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000670401438 531831138 /nfs/dbraw/zinc/83/11/38/531831138.db2.gz HDOFNPBNTAPVIL-UHFFFAOYSA-N 1 0 393.285 1.758 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418834688 531848846 /nfs/dbraw/zinc/84/88/46/531848846.db2.gz RRPOXEMBDPHHFN-CORIIIEPSA-N 1 0 380.286 1.537 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418835783 531849526 /nfs/dbraw/zinc/84/95/26/531849526.db2.gz TVSOXMDAUWYCPE-BQPHKTIFSA-N 1 0 380.286 1.535 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC[C@@H]1[NH3+] ZINC000418839517 531850133 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380.286 1.665 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](CO)CCOC ZINC000641764909 531851302 /nfs/dbraw/zinc/85/13/02/531851302.db2.gz NZQHHCJUBOIVIP-SMDDNHRTSA-N 1 0 389.290 1.449 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418840718 531851327 /nfs/dbraw/zinc/85/13/27/531851327.db2.gz CXDTYGPEGOXQKH-GFCCVEGCSA-N 1 0 386.265 1.505 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000418843014 531851711 /nfs/dbraw/zinc/85/17/11/531851711.db2.gz JKUKJONLEGTGJO-QGLTVNCISA-N 1 0 382.302 1.882 20 0 GDADRO O=C(NCCc1ccc(F)c(Br)c1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418844756 531851858 /nfs/dbraw/zinc/85/18/58/531851858.db2.gz LAUQKOPODPSTKQ-LBPRGKRZSA-N 1 0 386.265 1.363 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000418845246 531852304 /nfs/dbraw/zinc/85/23/04/531852304.db2.gz NYKIEHJJAFUYQQ-GFCCVEGCSA-N 1 0 379.258 1.149 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418846683 531852914 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20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000283207685 531840518 /nfs/dbraw/zinc/84/05/18/531840518.db2.gz BIEZXKWEHIUPBP-NSHDSACASA-N 1 0 376.284 1.865 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cc(OC)ccc1Br ZINC000418792479 531840869 /nfs/dbraw/zinc/84/08/69/531840869.db2.gz ZTUWEDZYVSGTDR-LBPRGKRZSA-N 1 0 384.274 1.284 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000418785980 531841413 /nfs/dbraw/zinc/84/14/13/531841413.db2.gz RMELWXUUPHIDAB-GFCCVEGCSA-N 1 0 398.301 1.580 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418802014 531842577 /nfs/dbraw/zinc/84/25/77/531842577.db2.gz CTZAHTGCHXCCMV-DDHJBXDOSA-N 1 0 398.326 1.551 20 0 GDADRO CC(C)[C@H]1CN(S(=O)(=O)c2cnn3cc(Br)cnc23)CC[NH2+]1 ZINC000641621126 531842653 /nfs/dbraw/zinc/84/26/53/531842653.db2.gz CPEXFPJMCXVPKA-LLVKDONJSA-N 1 0 388.291 1.110 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418809210 531842742 /nfs/dbraw/zinc/84/27/42/531842742.db2.gz MGBMBVFLTLTJPN-GOMXZESMSA-N 1 0 398.276 1.756 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCCOc3ccc(Cl)cc3Cl)CCN2C1=O ZINC000563439322 531843849 /nfs/dbraw/zinc/84/38/49/531843849.db2.gz UJUFUFOTJPAGPU-OCCSQVGLSA-N 1 0 386.279 1.923 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418816077 531844214 /nfs/dbraw/zinc/84/42/14/531844214.db2.gz LNZZWOOZTYJFKK-UHFFFAOYSA-N 1 0 398.276 1.807 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000624406467 531844383 /nfs/dbraw/zinc/84/43/83/531844383.db2.gz CVQYKSYMYQPKIA-ZJUUUORDSA-N 1 0 393.303 1.885 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000624409499 531845351 /nfs/dbraw/zinc/84/53/51/531845351.db2.gz FPACNNAOBBVABQ-UHFFFAOYSA-N 1 0 381.292 1.362 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418823720 531846051 /nfs/dbraw/zinc/84/60/51/531846051.db2.gz IPUNIZADZHKGMC-HQRZJTNHSA-N 1 0 380.286 1.678 20 0 GDADRO C[NH+](C)C[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000298081174 531847928 /nfs/dbraw/zinc/84/79/28/531847928.db2.gz HPAGOCMXWYWBSL-NSHDSACASA-N 1 0 394.324 1.824 20 0 GDADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418828937 531848134 /nfs/dbraw/zinc/84/81/34/531848134.db2.gz IKICSCDMZVOIHN-FAAHXZRKSA-N 1 0 380.286 1.665 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC[NH+]1CCCC1 ZINC000642977360 531866454 /nfs/dbraw/zinc/86/64/54/531866454.db2.gz VKAUKNHKYUGOHM-UHFFFAOYSA-N 1 0 380.297 1.484 20 0 GDADRO CS[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000270415132 531867004 /nfs/dbraw/zinc/86/70/04/531867004.db2.gz BVFCGDVWYUHLQF-KBPBESRZSA-N 1 0 392.493 1.729 20 0 GDADRO O=C(NCc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418941253 531867339 /nfs/dbraw/zinc/86/73/39/531867339.db2.gz UYQLFVHNMJFVRX-GZBFAFLISA-N 1 0 380.286 1.570 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418940375 531867365 /nfs/dbraw/zinc/86/73/65/531867365.db2.gz IZPDVEOPJLTHPB-AWEZNQCLSA-N 1 0 382.302 1.996 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418945353 531869323 /nfs/dbraw/zinc/86/93/23/531869323.db2.gz KAASAPWNVGLZNV-CHWSQXEVSA-N 1 0 396.285 1.012 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418861882 531856964 /nfs/dbraw/zinc/85/69/64/531856964.db2.gz GDHYOGMMIFQBDP-ZDUSSCGKSA-N 1 0 387.311 1.934 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000418865327 531857036 /nfs/dbraw/zinc/85/70/36/531857036.db2.gz LBYAAHBSKGVJAD-WCQYABFASA-N 1 0 383.290 1.622 20 0 GDADRO CCOc1cc(C[NH2+]CCn2cc(C(=O)OC)nn2)cc(Br)c1O ZINC000298158409 531858925 /nfs/dbraw/zinc/85/89/25/531858925.db2.gz SFKVKXCSXYXMCE-UHFFFAOYSA-N 1 0 399.245 1.721 20 0 GDADRO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000418868284 531858971 /nfs/dbraw/zinc/85/89/71/531858971.db2.gz POBLNMIKNDNUFN-LBPRGKRZSA-N 1 0 397.317 1.869 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(Br)cn1 ZINC000418872655 531859370 /nfs/dbraw/zinc/85/93/70/531859370.db2.gz WKBRUBAFYBXUGE-HZMBPMFUSA-N 1 0 383.290 1.655 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418885652 531859850 /nfs/dbraw/zinc/85/98/50/531859850.db2.gz PKILTMIAXRGJIF-QPUJVOFHSA-N 1 0 386.221 1.088 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000418872890 531859901 /nfs/dbraw/zinc/85/99/01/531859901.db2.gz WUNMVCYSZWZZAV-ZDUSSCGKSA-N 1 0 387.311 1.756 20 0 GDADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000563666415 531860213 /nfs/dbraw/zinc/86/02/13/531860213.db2.gz KZJVXVCDKIIRBP-JJRVBVJISA-N 1 0 386.539 1.657 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418881436 531860735 /nfs/dbraw/zinc/86/07/35/531860735.db2.gz HJKTWGUTGSSHMU-QPUJVOFHSA-N 1 0 386.221 1.006 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000418913832 531861492 /nfs/dbraw/zinc/86/14/92/531861492.db2.gz OHEJUCSYSBPSIW-FZMZJTMJSA-N 1 0 385.917 1.778 20 0 GDADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@@H](C)O1 ZINC000563704638 531861678 /nfs/dbraw/zinc/86/16/78/531861678.db2.gz ADIDKDUREPFBIV-XNJGSVPQSA-N 1 0 399.329 1.944 20 0 GDADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642700500 531861785 /nfs/dbraw/zinc/86/17/85/531861785.db2.gz QQVQDOPBTFEXNO-WCQYABFASA-N 1 0 398.326 1.970 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000270370833 531861977 /nfs/dbraw/zinc/86/19/77/531861977.db2.gz LVUGBFQWSZGDCO-UHFFFAOYSA-N 1 0 388.917 1.662 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)NCc2cc(F)cc(Br)c2)CCC[NH2+]C1 ZINC000418919298 531863272 /nfs/dbraw/zinc/86/32/72/531863272.db2.gz ADEQDSJUUAOIMX-MRXNPFEDSA-N 1 0 386.265 1.710 20 0 GDADRO CC(C)[NH+](CCCNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1)C(C)C ZINC000367787339 531863768 /nfs/dbraw/zinc/86/37/68/531863768.db2.gz RVRVJALOXAOKBV-INIZCTEOSA-N 1 0 376.567 1.561 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000642777832 531863965 /nfs/dbraw/zinc/86/39/65/531863965.db2.gz IPODKMVYIOWLSU-LBPRGKRZSA-N 1 0 398.301 1.448 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1Br ZINC000642740706 531863972 /nfs/dbraw/zinc/86/39/72/531863972.db2.gz CVKBNNHUDRPVFL-JSGCOSHPSA-N 1 0 396.285 1.284 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000563809594 531864200 /nfs/dbraw/zinc/86/42/00/531864200.db2.gz JGYFEZNODPTLAO-LKFCYVNXSA-N 1 0 389.315 1.889 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418928086 531864225 /nfs/dbraw/zinc/86/42/25/531864225.db2.gz YGTYLUQCISIQJA-UHFFFAOYSA-N 1 0 398.276 1.673 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000642919277 531864811 /nfs/dbraw/zinc/86/48/11/531864811.db2.gz VRHWAYKQPQOBPS-HNNXBMFYSA-N 1 0 380.286 1.981 20 0 GDADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(Br)c1 ZINC000367797888 531865452 /nfs/dbraw/zinc/86/54/52/531865452.db2.gz MZQOYBPFGAAVLR-GXFFZTMASA-N 1 0 375.288 1.830 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418947499 531870971 /nfs/dbraw/zinc/87/09/71/531870971.db2.gz SGPGPYFWQKUUPQ-IAQYHMDHSA-N 1 0 380.286 1.668 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000595243731 531871412 /nfs/dbraw/zinc/87/14/12/531871412.db2.gz HAYQJGHNGPGXKG-SECBINFHSA-N 1 0 386.246 1.207 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(I)cc1F ZINC000595240084 531871745 /nfs/dbraw/zinc/87/17/45/531871745.db2.gz NBLSNKLUMFIJOS-UHFFFAOYSA-N 1 0 393.200 1.565 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1ccccc1I ZINC000595241542 531871937 /nfs/dbraw/zinc/87/19/37/531871937.db2.gz AFNQPPWZAOQHTE-UHFFFAOYSA-N 1 0 385.205 1.098 20 0 GDADRO O=C(NCCOc1cccc(Br)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418953260 531872109 /nfs/dbraw/zinc/87/21/09/531872109.db2.gz RIBPWWGQRSRVPP-OKILXGFUSA-N 1 0 396.285 1.297 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(I)c1 ZINC000564970830 531872657 /nfs/dbraw/zinc/87/26/57/531872657.db2.gz HWGXTLLLQSDMKV-BDAKNGLRSA-N 1 0 375.210 1.472 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595251612 531873318 /nfs/dbraw/zinc/87/33/18/531873318.db2.gz PBOXYVIGGVXVEB-UHFFFAOYSA-N 1 0 396.241 1.124 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418967882 531873589 /nfs/dbraw/zinc/87/35/89/531873589.db2.gz GOTVRFUOUOFDRE-JTQLQIEISA-N 1 0 394.273 1.010 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418972211 531873867 /nfs/dbraw/zinc/87/38/67/531873867.db2.gz YNKICZLTHLWXEO-JOYOIKCWSA-N 1 0 387.267 1.068 20 0 GDADRO O=C(NCCCn1cc(Br)cn1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673230459 531875223 /nfs/dbraw/zinc/87/52/23/531875223.db2.gz NXWQICIGMSUBQN-UHFFFAOYSA-N 1 0 393.289 1.963 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418990223 531875299 /nfs/dbraw/zinc/87/52/99/531875299.db2.gz LAYYZILWIVKKCV-KBPBESRZSA-N 1 0 380.286 1.176 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)CC1 ZINC000418981748 531875432 /nfs/dbraw/zinc/87/54/32/531875432.db2.gz ADORBUBLTOXQGJ-GFCCVEGCSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000418986968 531876208 /nfs/dbraw/zinc/87/62/08/531876208.db2.gz GTBDIDIWFMUXHM-JSGCOSHPSA-N 1 0 382.302 1.612 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418978304 531876271 /nfs/dbraw/zinc/87/62/71/531876271.db2.gz VZQVEEHFECPJSS-NXEZZACHSA-N 1 0 394.273 1.137 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000418997402 531876897 /nfs/dbraw/zinc/87/68/97/531876897.db2.gz UNOCMOZYGMJUDR-DZKIICNBSA-N 1 0 394.313 1.960 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000418993477 531877206 /nfs/dbraw/zinc/87/72/06/531877206.db2.gz PFLLGYLXUYBNPG-GZBFAFLISA-N 1 0 380.286 1.569 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000418998332 531877634 /nfs/dbraw/zinc/87/76/34/531877634.db2.gz VUMIQEYMJTUBOY-GXTWGEPZSA-N 1 0 382.302 1.878 20 0 GDADRO O=C(NCCc1cccc(Br)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418993750 531877652 /nfs/dbraw/zinc/87/76/52/531877652.db2.gz PLZFIIAHFMYLFT-CABCVRRESA-N 1 0 380.286 1.461 20 0 GDADRO CCOC1(CS(=O)(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000625053466 531878676 /nfs/dbraw/zinc/87/86/76/531878676.db2.gz YVRXFXTVDDYXJW-IXDOHACOSA-N 1 0 376.563 1.858 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419015258 531880107 /nfs/dbraw/zinc/88/01/07/531880107.db2.gz BFXCGXQJJVDGAR-IUODEOHRSA-N 1 0 382.302 1.836 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419015260 531880316 /nfs/dbraw/zinc/88/03/16/531880316.db2.gz BFXCGXQJJVDGAR-SWLSCSKDSA-N 1 0 382.302 1.836 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000419019007 531881670 /nfs/dbraw/zinc/88/16/70/531881670.db2.gz IORHKLPAFSALRD-OCCSQVGLSA-N 1 0 398.301 1.879 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000455865346 531881779 /nfs/dbraw/zinc/88/17/79/531881779.db2.gz LYDXEAWIIZZZOX-UHFFFAOYSA-N 1 0 388.310 2.000 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419019008 531881934 /nfs/dbraw/zinc/88/19/34/531881934.db2.gz IORHKLPAFSALRD-TZMCWYRMSA-N 1 0 398.301 1.879 20 0 GDADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419021552 531882104 /nfs/dbraw/zinc/88/21/04/531882104.db2.gz MMHJLPVKJZDTRK-WFASDCNBSA-N 1 0 398.301 1.073 20 0 GDADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)CCc2c(F)cccc2F)CCCO1 ZINC000625157881 531882914 /nfs/dbraw/zinc/88/29/14/531882914.db2.gz RSCIHAVGPDGQGD-AWEZNQCLSA-N 1 0 376.469 1.928 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000368005682 531883278 /nfs/dbraw/zinc/88/32/78/531883278.db2.gz KDSMMILWIPQKCL-WCQYABFASA-N 1 0 384.274 1.425 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419027058 531883581 /nfs/dbraw/zinc/88/35/81/531883581.db2.gz VKWOSTJGVMVKHB-ZWNOBZJWSA-N 1 0 384.274 1.361 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000418948277 531870207 /nfs/dbraw/zinc/87/02/07/531870207.db2.gz SZWGBPGIPSQYBP-HNNXBMFYSA-N 1 0 380.286 1.763 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCCC[N@H+](C)C(C)C)ccc1Cl ZINC000298467560 531891424 /nfs/dbraw/zinc/89/14/24/531891424.db2.gz YPLPJCAJBUHEBU-UHFFFAOYSA-N 1 0 391.921 1.982 20 0 GDADRO COc1ccc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)nc1Br ZINC000368076546 531891612 /nfs/dbraw/zinc/89/16/12/531891612.db2.gz ASBBRPKCYIWSJE-ZDUSSCGKSA-N 1 0 397.317 1.705 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000566728322 531892219 /nfs/dbraw/zinc/89/22/19/531892219.db2.gz BKHCHLXPTXAPAG-LLVKDONJSA-N 1 0 376.284 1.978 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419053092 531892223 /nfs/dbraw/zinc/89/22/23/531892223.db2.gz IYTYBOSCYMGGSC-SECBINFHSA-N 1 0 376.682 1.833 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCc2cccc(Br)c2Cl)CC1 ZINC000419052698 531892451 /nfs/dbraw/zinc/89/24/51/531892451.db2.gz IEXLVADYQAHZAL-UHFFFAOYSA-N 1 0 388.693 1.916 20 0 GDADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](N)c3ccccc3Br)C2)CC1 ZINC000595930399 531893399 /nfs/dbraw/zinc/89/33/99/531893399.db2.gz VTZCNMDOLSGBSQ-RHSMWYFYSA-N 1 0 395.345 1.687 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419056126 531894019 /nfs/dbraw/zinc/89/40/19/531894019.db2.gz PWDZVBVKVYTDPL-JQWIXIFHSA-N 1 0 386.265 1.504 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419057179 531894912 /nfs/dbraw/zinc/89/49/12/531894912.db2.gz UCYJNCSYYKUDLV-UKRRQHHQSA-N 1 0 382.302 1.740 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419058963 531895370 /nfs/dbraw/zinc/89/53/70/531895370.db2.gz XAMUJVQKKYDFRP-FRRDWIJNSA-N 1 0 382.302 1.692 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCc1cccc(Br)c1Cl ZINC000419059383 531895981 /nfs/dbraw/zinc/89/59/81/531895981.db2.gz XUIUXFFKXZGTRJ-JTQLQIEISA-N 1 0 388.693 1.835 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419059389 531896271 /nfs/dbraw/zinc/89/62/71/531896271.db2.gz XVGGSSCMPHIAHP-LBPRGKRZSA-N 1 0 382.302 1.755 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000283794114 531897391 /nfs/dbraw/zinc/89/73/91/531897391.db2.gz APXIILMOMVINCN-ZDUSSCGKSA-N 1 0 394.278 1.805 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000419075438 531898331 /nfs/dbraw/zinc/89/83/31/531898331.db2.gz FXSZKQGKLNSHSD-UHFFFAOYSA-N 1 0 380.286 1.547 20 0 GDADRO Cc1oc(Br)cc1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567586942 531898385 /nfs/dbraw/zinc/89/83/85/531898385.db2.gz MKYNJEYICQLNGI-GFCCVEGCSA-N 1 0 384.274 1.635 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)s2)cs1 ZINC000419086833 531898832 /nfs/dbraw/zinc/89/88/32/531898832.db2.gz YMOVBHSSVLXNIP-ZDUSSCGKSA-N 1 0 378.523 1.692 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000419041329 531887200 /nfs/dbraw/zinc/88/72/00/531887200.db2.gz JVRAZFLJAAMTMU-NEPJUHHUSA-N 1 0 375.803 1.944 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CCC(C[NH3+])CC1)c1nc(C(F)(F)F)cs1 ZINC000419040213 531887361 /nfs/dbraw/zinc/88/73/61/531887361.db2.gz IKMDIPPPNOWYPU-SNVBAGLBSA-N 1 0 378.420 1.927 20 0 GDADRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000419043853 531888404 /nfs/dbraw/zinc/88/84/04/531888404.db2.gz SETIPGWUOVMKSS-NSHDSACASA-N 1 0 380.901 1.846 20 0 GDADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000298446412 531888498 /nfs/dbraw/zinc/88/84/98/531888498.db2.gz XXTUSVFMPXVCRD-DLBZAZTESA-N 1 0 382.551 1.688 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C[C@@H]1[NH+](C)C ZINC000270540968 531889408 /nfs/dbraw/zinc/88/94/08/531889408.db2.gz XMYFPZKLAWDNDE-JKSUJKDBSA-N 1 0 383.539 1.126 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419044882 531889629 /nfs/dbraw/zinc/88/96/29/531889629.db2.gz QWGYPSBHNCHTDR-LBPRGKRZSA-N 1 0 375.803 1.768 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC[C@@H]1[NH3+] ZINC000419046446 531889810 /nfs/dbraw/zinc/88/98/10/531889810.db2.gz YDXOSPBZZBIJMW-DDTOSNHZSA-N 1 0 396.285 1.585 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000419044688 531890068 /nfs/dbraw/zinc/89/00/68/531890068.db2.gz QPWXVGKJKFNFAT-AEJSXWLSSA-N 1 0 378.420 1.938 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1cc(F)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000419160945 531905896 /nfs/dbraw/zinc/90/58/96/531905896.db2.gz QVFUDGQCBFHCQI-GHMZBOCLSA-N 1 0 386.265 1.709 20 0 GDADRO CC(C)OCC[NH+]1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000647965907 531906218 /nfs/dbraw/zinc/90/62/18/531906218.db2.gz SYPLPSILIGNEKA-UHFFFAOYSA-N 1 0 375.922 1.530 20 0 GDADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCc1ccc(I)cc1 ZINC000596065528 531906769 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Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000368382587 531908534 /nfs/dbraw/zinc/90/85/34/531908534.db2.gz ZPAVBWMQOJTOKV-ZIAGYGMSSA-N 1 0 383.539 1.468 20 0 GDADRO CC[NH+](CC)CCSCC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000568516037 531909325 /nfs/dbraw/zinc/90/93/25/531909325.db2.gz NAENZMDVTCWWPN-CQSZACIVSA-N 1 0 386.539 1.413 20 0 GDADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000456377494 531909968 /nfs/dbraw/zinc/90/99/68/531909968.db2.gz LOAMWLHOGVRVPE-CYBMUJFWSA-N 1 0 393.289 1.981 20 0 GDADRO O[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)COc1ccccc1Br ZINC000675763445 531910390 /nfs/dbraw/zinc/91/03/90/531910390.db2.gz KVZLDTPDWUDFCS-QWHCGFSZSA-N 1 0 381.274 1.717 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)COc1ccccc1Br ZINC000270696481 531911110 /nfs/dbraw/zinc/91/11/10/531911110.db2.gz YDFNXFHRSJBVJR-CYBMUJFWSA-N 1 0 384.274 1.284 20 0 GDADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)C(=O)NC1CC[NH2+]CC1 ZINC000419191910 531911608 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CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000647907898 531902095 /nfs/dbraw/zinc/90/20/95/531902095.db2.gz MUYYKCBXFVWGGD-CORIIIEPSA-N 1 0 385.917 1.741 20 0 GDADRO CN1CC[NH+](CC2(C)CCN(S(=O)(=O)c3cncc(Cl)c3)CC2)CC1 ZINC000368286670 531902332 /nfs/dbraw/zinc/90/23/32/531902332.db2.gz VYBYAIRDFYCDID-UHFFFAOYSA-N 1 0 386.949 1.773 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000419134271 531902782 /nfs/dbraw/zinc/90/27/82/531902782.db2.gz JPJRVTVHHMLPEZ-LBPRGKRZSA-N 1 0 388.295 1.946 20 0 GDADRO C[C@H](NCC1([NH3+])CCC1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000647907547 531903818 /nfs/dbraw/zinc/90/38/18/531903818.db2.gz MGTRSOBOBCTAJK-NSHDSACASA-N 1 0 388.921 1.388 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000419142942 531903967 /nfs/dbraw/zinc/90/39/67/531903967.db2.gz CYZOMXWFGGOWOY-QMMMGPOBSA-N 1 0 396.207 1.890 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000419138013 531904266 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GDADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419257697 531918401 /nfs/dbraw/zinc/91/84/01/531918401.db2.gz YSIQWEWDULPHKE-WQAKAFBOSA-N 1 0 396.310 1.532 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc(Br)cc(F)c3C(N)=O)CC2)C1 ZINC000678312912 531918717 /nfs/dbraw/zinc/91/87/17/531918717.db2.gz OOTBQEGOSHNXBZ-CYBMUJFWSA-N 1 0 399.308 1.903 20 0 GDADRO NC(=O)c1c(F)cc(Br)cc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000678310748 531919104 /nfs/dbraw/zinc/91/91/04/531919104.db2.gz NUUUMWCQOATIKY-TZMCWYRMSA-N 1 0 386.265 1.723 20 0 GDADRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000569081611 531919575 /nfs/dbraw/zinc/91/95/75/531919575.db2.gz HSBCEPUBUJUYET-AWEZNQCLSA-N 1 0 385.507 1.828 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000419260584 531919602 /nfs/dbraw/zinc/91/96/02/531919602.db2.gz OLQAENQTFQHIIT-CYBMUJFWSA-N 1 0 398.301 1.532 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCCOc2ccccc2Cl)CCSC1 ZINC000284016285 531919956 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C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000284070196 531925887 /nfs/dbraw/zinc/92/58/87/531925887.db2.gz OMIVEJBMVLZAEF-BBRMVZONSA-N 1 0 396.329 1.906 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419340395 531926188 /nfs/dbraw/zinc/92/61/88/531926188.db2.gz WTTHFXKPNJXIDV-WDEREUQCSA-N 1 0 380.901 1.817 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000270823185 531926499 /nfs/dbraw/zinc/92/64/99/531926499.db2.gz OWLCYGOZJFPWHO-UHFFFAOYSA-N 1 0 377.304 1.493 20 0 GDADRO COC[C@H](C)OC[C@H](O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000283962244 531914550 /nfs/dbraw/zinc/91/45/50/531914550.db2.gz CBIFDWYQBHRVDC-WMLDXEAASA-N 1 0 387.318 1.984 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCCO1 ZINC000419216675 531914626 /nfs/dbraw/zinc/91/46/26/531914626.db2.gz OGKDCPLZCXNBIC-GXTWGEPZSA-N 1 0 383.901 1.569 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419215132 531915233 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GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000419409532 531930694 /nfs/dbraw/zinc/93/06/94/531930694.db2.gz ZEJVZSJZRQCGHN-NSHDSACASA-N 1 0 389.283 1.341 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000419402372 531931064 /nfs/dbraw/zinc/93/10/64/531931064.db2.gz OUPAWMBFLKXION-ONGXEEELSA-N 1 0 375.256 1.127 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000419405530 531931610 /nfs/dbraw/zinc/93/16/10/531931610.db2.gz HWKIPLGNQGMJCO-ZYHUDNBSSA-N 1 0 384.274 1.357 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)CC[NH2+]1 ZINC000419404657 531931622 /nfs/dbraw/zinc/93/16/22/531931622.db2.gz RNSHNXMKIQXKNB-ONGXEEELSA-N 1 0 375.256 1.140 20 0 GDADRO CN(CCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)CC[NH+](C)C ZINC000570094460 531932914 /nfs/dbraw/zinc/93/29/14/531932914.db2.gz FXVSPHKDPQTTBR-UHFFFAOYSA-N 1 0 375.922 1.113 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419446750 531933428 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GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(Br)s2)CC[N@@H+]1C ZINC000570304522 531937698 /nfs/dbraw/zinc/93/76/98/531937698.db2.gz FDJBDIJPTGUCKK-QWRGUYRKSA-N 1 0 388.331 1.768 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCc4c3cccc4Br)C[C@@H]12 ZINC000419592683 531939708 /nfs/dbraw/zinc/93/97/08/531939708.db2.gz WJLCHOOUAZFMMZ-NMFKLSHFSA-N 1 0 392.297 1.748 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)C[C@@H](C)[NH2+]1 ZINC000419588378 531938374 /nfs/dbraw/zinc/93/83/74/531938374.db2.gz OVIURGUEKWTXJD-UEKVPHQBSA-N 1 0 380.286 1.761 20 0 GDADRO Cc1csc(CCCCNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)n1 ZINC000284196932 531938823 /nfs/dbraw/zinc/93/88/23/531938823.db2.gz VCYOUDWIEPRDFH-QGZVFWFLSA-N 1 0 384.571 1.444 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2scnc2C2CC2)CC[C@@H]1C(F)(F)F ZINC000626861305 531938928 /nfs/dbraw/zinc/93/89/28/531938928.db2.gz NKHAAUGZRFOBKC-UWVGGRQHSA-N 1 0 376.404 1.945 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NCC2([NH3+])CCOCC2)c(Br)c1 ZINC000626859026 531939064 /nfs/dbraw/zinc/93/90/64/531939064.db2.gz JEYIRGYXPMEJFU-UHFFFAOYSA-N 1 0 384.274 1.629 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)Cc1ccc(Br)o1 ZINC000284180597 531939272 /nfs/dbraw/zinc/93/92/72/531939272.db2.gz XSZFNAAEAIGNDV-LBPRGKRZSA-N 1 0 386.290 1.991 20 0 GDADRO CC[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)Cc1cccc(Br)c1 ZINC000419357042 531927998 /nfs/dbraw/zinc/92/79/98/531927998.db2.gz GXNNNKWEKRQREC-BLLLJJGKSA-N 1 0 396.329 1.988 20 0 GDADRO COc1nccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000569803972 531928384 /nfs/dbraw/zinc/92/83/84/531928384.db2.gz HGAGBGQBHDWJOA-CYBMUJFWSA-N 1 0 386.221 1.916 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000419609365 531940817 /nfs/dbraw/zinc/94/08/17/531940817.db2.gz JEBMWMCWBHAPEL-YPMHNXCESA-N 1 0 384.274 1.153 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)Oc1cccc(Br)c1 ZINC000419612589 531940996 /nfs/dbraw/zinc/94/09/96/531940996.db2.gz MDRSKYDEYCWMGD-XBFCOCLRSA-N 1 0 398.301 1.719 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cn1 ZINC000284242130 531942471 /nfs/dbraw/zinc/94/24/71/531942471.db2.gz JUBHGCHQFZCHST-TUKIKUTGSA-N 1 0 395.301 1.764 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)NCc1cc(F)c(Br)cc1F ZINC000627066061 531943759 /nfs/dbraw/zinc/94/37/59/531943759.db2.gz OBIMVMXFJMTCBD-UHFFFAOYSA-N 1 0 377.233 1.432 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000419622546 531944116 /nfs/dbraw/zinc/94/41/16/531944116.db2.gz GWRZAFPIKJLHLM-RISCZKNCSA-N 1 0 386.290 1.367 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419624434 531944130 /nfs/dbraw/zinc/94/41/30/531944130.db2.gz IKCKKCAHLKIOFI-GLQYFDAESA-N 1 0 398.301 1.591 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)Oc1ccccc1Br ZINC000419626596 531944791 /nfs/dbraw/zinc/94/47/91/531944791.db2.gz XHMQYZLWQMBWQV-GXFFZTMASA-N 1 0 384.274 1.186 20 0 GDADRO COCC1(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)CC[NH2+]CC1 ZINC000570966688 531945249 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GDADRO O=C(NCc1cc(Br)cs1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419725974 531962454 /nfs/dbraw/zinc/96/24/54/531962454.db2.gz SZOVOLUARWXNJA-UHFFFAOYSA-N 1 0 386.315 1.729 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[C@H](C)[NH+](C)C ZINC000598001277 531962491 /nfs/dbraw/zinc/96/24/91/531962491.db2.gz YPUVJNLQMCUWKR-HOCLYGCPSA-N 1 0 387.571 1.543 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(Br)cc3c2OCC3)CC[C@@H]1[NH3+] ZINC000419676908 531952608 /nfs/dbraw/zinc/95/26/08/531952608.db2.gz NIVNHTAPYAJZJW-HZMBPMFUSA-N 1 0 396.285 1.196 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000627457343 531952614 /nfs/dbraw/zinc/95/26/14/531952614.db2.gz RSKWCKJLWNASAQ-GZBFAFLISA-N 1 0 395.301 1.764 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000419681303 531953531 /nfs/dbraw/zinc/95/35/31/531953531.db2.gz TVVVEFYQXMZYNL-ZWNOBZJWSA-N 1 0 393.285 1.790 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C[NH2+]1 ZINC000627476675 531954276 /nfs/dbraw/zinc/95/42/76/531954276.db2.gz JGCIRUPQWSIXFB-ZLDLUXBVSA-N 1 0 395.301 1.764 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284419850 531955976 /nfs/dbraw/zinc/95/59/76/531955976.db2.gz VDFOLVUMJAWUNP-CHWSQXEVSA-N 1 0 384.274 1.744 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419756148 531966829 /nfs/dbraw/zinc/96/68/29/531966829.db2.gz FWMCTXAGDWUUOU-STQMWFEESA-N 1 0 385.295 1.557 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)c1cc(F)cc(Br)c1 ZINC000419775763 531968146 /nfs/dbraw/zinc/96/81/46/531968146.db2.gz JVWNIACRJMSYPW-KBPBESRZSA-N 1 0 386.265 1.976 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000419781060 531968936 /nfs/dbraw/zinc/96/89/36/531968936.db2.gz PPFHTXWCCGKEJK-AWEZNQCLSA-N 1 0 386.265 1.881 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000457920014 531969133 /nfs/dbraw/zinc/96/91/33/531969133.db2.gz DNBZTUULDHLFGP-SOUVJXGZSA-N 1 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ZINC000419818626 531973632 /nfs/dbraw/zinc/97/36/32/531973632.db2.gz MLKSDLDJAIHSED-TZMCWYRMSA-N 1 0 379.320 1.982 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419816726 531973651 /nfs/dbraw/zinc/97/36/51/531973651.db2.gz KIXDPOPZJQSTHW-SWLSCSKDSA-N 1 0 382.302 1.755 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000419814859 531974106 /nfs/dbraw/zinc/97/41/06/531974106.db2.gz KLDBWZQFQHUIKB-CYBMUJFWSA-N 1 0 396.329 1.911 20 0 GDADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419816723 531974177 /nfs/dbraw/zinc/97/41/77/531974177.db2.gz KIXDPOPZJQSTHW-IUODEOHRSA-N 1 0 382.302 1.755 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000419828989 531974878 /nfs/dbraw/zinc/97/48/78/531974878.db2.gz UVIDODVUJCNCCY-AWEZNQCLSA-N 1 0 382.302 1.711 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000419836943 531976905 /nfs/dbraw/zinc/97/69/05/531976905.db2.gz YXKGETYLVILIIU-UHFFFAOYSA-N 1 0 376.284 1.560 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000419839067 531976936 /nfs/dbraw/zinc/97/69/36/531976936.db2.gz ANDFJKGTWAWTOQ-UHFFFAOYSA-N 1 0 398.301 1.545 20 0 GDADRO C[N@@H+]1CCCC[C@H](CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000628748033 531978019 /nfs/dbraw/zinc/97/80/19/531978019.db2.gz DLDIMNKVTNCWQP-HUUCEWRRSA-N 1 0 385.555 1.749 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419852809 531978304 /nfs/dbraw/zinc/97/83/04/531978304.db2.gz DAPCUUBRRUMSRV-PBWFPOADSA-N 1 0 398.276 1.946 20 0 GDADRO O=C(NC1CC[NH2+]CC1)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000419851736 531978336 /nfs/dbraw/zinc/97/83/36/531978336.db2.gz PBNGSEIBUYFRQP-UHFFFAOYSA-N 1 0 388.295 1.573 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1F ZINC000271192423 531978790 /nfs/dbraw/zinc/97/87/90/531978790.db2.gz GLIWZUYGKZVYKB-NSHDSACASA-N 1 0 381.495 1.206 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000419987039 531992685 /nfs/dbraw/zinc/99/26/85/531992685.db2.gz XXRLBVCVFALJHP-GFCCVEGCSA-N 1 0 390.311 1.676 20 0 GDADRO CC(=O)N1CC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000573914111 531993128 /nfs/dbraw/zinc/99/31/28/531993128.db2.gz RLPLHJXAAQBKSV-CYBMUJFWSA-N 1 0 375.288 1.433 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000419995259 531993810 /nfs/dbraw/zinc/99/38/10/531993810.db2.gz IDLVLULJSPNFPO-GFCCVEGCSA-N 1 0 398.301 1.420 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)C1CC1 ZINC000419862164 531979279 /nfs/dbraw/zinc/97/92/79/531979279.db2.gz MROMRVFRBHJCFF-HUUCEWRRSA-N 1 0 396.285 1.203 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860207 531979418 /nfs/dbraw/zinc/97/94/18/531979418.db2.gz KQKOFTFYMMUSOJ-BMIGLBTASA-N 1 0 380.286 1.576 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000419856687 531979698 /nfs/dbraw/zinc/97/96/98/531979698.db2.gz JKNNHEIHUQJFGI-GFCCVEGCSA-N 1 0 380.286 1.450 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc2C1 ZINC000656928893 531981306 /nfs/dbraw/zinc/98/13/06/531981306.db2.gz DYRGGVKVYPYILT-LBPRGKRZSA-N 1 0 387.571 1.907 20 0 GDADRO CO[C@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1cccs1)[C@H]1CCOC1 ZINC000656930858 531981520 /nfs/dbraw/zinc/98/15/20/531981520.db2.gz LEOSTARREMDWRP-GOEBONIOSA-N 1 0 376.544 1.493 20 0 GDADRO CN(C[C@@H](O)C[NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000573359030 531981802 /nfs/dbraw/zinc/98/18/02/531981802.db2.gz WYFBVTOWWHFOMF-INIZCTEOSA-N 1 0 384.318 1.614 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419889077 531981992 /nfs/dbraw/zinc/98/19/92/531981992.db2.gz KRVVJFWQPRVOCK-AWEZNQCLSA-N 1 0 398.301 1.545 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000419892834 531982057 /nfs/dbraw/zinc/98/20/57/531982057.db2.gz VBELUUZRUVYYJT-VIFPVBQESA-N 1 0 386.677 1.465 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419894399 531982232 /nfs/dbraw/zinc/98/22/32/531982232.db2.gz RAVKPEHNMKELND-CYBMUJFWSA-N 1 0 384.274 1.155 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000419895330 531982244 /nfs/dbraw/zinc/98/22/44/531982244.db2.gz WTPISGIOJSWSCK-KGLIPLIRSA-N 1 0 384.249 1.730 20 0 GDADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000573359706 531982261 /nfs/dbraw/zinc/98/22/61/531982261.db2.gz ATMJENVMBCBASP-HNNXBMFYSA-N 1 0 375.441 1.697 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000419888353 531982540 /nfs/dbraw/zinc/98/25/40/531982540.db2.gz JSRRBCXXHADFLR-GFCCVEGCSA-N 1 0 384.249 1.341 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000370142763 531982615 /nfs/dbraw/zinc/98/26/15/531982615.db2.gz NSUIPEBZCDDCPT-UHFFFAOYSA-N 1 0 385.917 1.935 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000419906416 531983983 /nfs/dbraw/zinc/98/39/83/531983983.db2.gz CCISUEBZIJFSHF-CQSZACIVSA-N 1 0 398.301 1.847 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[NH+]1CCC(C)CC1 ZINC000299370899 531984589 /nfs/dbraw/zinc/98/45/89/531984589.db2.gz RFOAVIKQMAEXEC-AWEZNQCLSA-N 1 0 387.571 1.690 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3ccccc3I)C[C@H]12 ZINC000573428039 531984978 /nfs/dbraw/zinc/98/49/78/531984978.db2.gz UCHXRAPVGBARFO-JBLDHEPKSA-N 1 0 399.232 1.425 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419916275 531985087 /nfs/dbraw/zinc/98/50/87/531985087.db2.gz FDJVERCJLSPMBY-NEPJUHHUSA-N 1 0 380.286 1.621 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N1Cc2cc(Br)ccc2C[C@H]1C ZINC000419910460 531985258 /nfs/dbraw/zinc/98/52/58/531985258.db2.gz PDNQPPXRVUTUHF-GFCCVEGCSA-N 1 0 382.302 1.838 20 0 GDADRO CC[C@@H](CN(C)C(=O)C(=O)NCC1C[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000419918390 531985423 /nfs/dbraw/zinc/98/54/23/531985423.db2.gz CSVMVHCLVQRGLM-LBPRGKRZSA-N 1 0 388.295 1.945 20 0 GDADRO CS[C@H]1CN(CCC(=O)Nc2sccc2C(N)=O)C[C@@H]1[NH+]1CCCC1 ZINC000299401701 531986679 /nfs/dbraw/zinc/98/66/79/531986679.db2.gz SGJBKADMGAORMY-KBPBESRZSA-N 1 0 382.555 1.687 20 0 GDADRO CCCNC(=O)CN(C)C(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284750636 531986790 /nfs/dbraw/zinc/98/67/90/531986790.db2.gz LLTCGGMHUHTSLX-KRWDZBQOSA-N 1 0 397.317 1.869 20 0 GDADRO C[C@H](C[NH2+]CC1(O)CCS(=O)(=O)CC1)Oc1ccccc1Br ZINC000573557063 531986881 /nfs/dbraw/zinc/98/68/81/531986881.db2.gz OPAARKCKLFZHHM-GFCCVEGCSA-N 1 0 392.315 1.746 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1)c1ccccc1 ZINC000419931905 531987887 /nfs/dbraw/zinc/98/78/87/531987887.db2.gz PNWVFQZAGPNMLU-UONOGXRCSA-N 1 0 376.507 1.576 20 0 GDADRO COCCN(Cc1cc(Br)cs1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419957127 531989434 /nfs/dbraw/zinc/98/94/34/531989434.db2.gz PBVNTKBULPWYNC-SNVBAGLBSA-N 1 0 392.319 1.197 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccsc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370517190 531989607 /nfs/dbraw/zinc/98/96/07/531989607.db2.gz HNFXJFMFBTXJFW-JSGCOSHPSA-N 1 0 384.933 1.824 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419957050 531989919 /nfs/dbraw/zinc/98/99/19/531989919.db2.gz TZDIXCSBBULERQ-LLVKDONJSA-N 1 0 388.281 1.908 20 0 GDADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000419955650 531990284 /nfs/dbraw/zinc/99/02/84/531990284.db2.gz SNOUBGYNNTXWFX-ZDUSSCGKSA-N 1 0 384.933 1.304 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000419974007 531991568 /nfs/dbraw/zinc/99/15/68/531991568.db2.gz IQPRYIUIVRAZPC-BXUZGUMPSA-N 1 0 398.301 1.703 20 0 GDADRO COCCN(Cc1sccc1Br)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419962124 531991666 /nfs/dbraw/zinc/99/16/66/531991666.db2.gz UXTQTXDDNOTFDT-SNVBAGLBSA-N 1 0 392.319 1.197 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000420015821 531996450 /nfs/dbraw/zinc/99/64/50/531996450.db2.gz MGQDVYAUFVTYMZ-INIZCTEOSA-N 1 0 396.289 1.462 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000420011982 531996463 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CN(Cc1ccc(Br)o1)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422452794 532060606 /nfs/dbraw/zinc/06/06/06/532060606.db2.gz HLVFLCNDCPLAST-UHFFFAOYSA-N 1 0 386.290 1.991 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C1 ZINC000373031429 532060702 /nfs/dbraw/zinc/06/07/02/532060702.db2.gz XVMGFELVVDJHNM-SOUVJXGZSA-N 1 0 385.555 1.877 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1I ZINC000579472225 532060863 /nfs/dbraw/zinc/06/08/63/532060863.db2.gz IIERKBQREFMBIM-SNVBAGLBSA-N 1 0 380.251 1.630 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000579710767 532064141 /nfs/dbraw/zinc/06/41/41/532064141.db2.gz STGVIDBSBKGKSV-PWSUYJOCSA-N 1 0 394.269 1.644 20 0 GDADRO COCC[NH+]1CCC(NCc2ncc(I)s2)CC1 ZINC000285332625 532068973 /nfs/dbraw/zinc/06/89/73/532068973.db2.gz BZSWLMRYMOIEHM-UHFFFAOYSA-N 1 0 381.283 1.948 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000602039229 532069126 /nfs/dbraw/zinc/06/91/26/532069126.db2.gz WWKZLEGPXNEABI-UHFFFAOYSA-N 1 0 388.251 1.883 20 0 GDADRO CC[N@H+](CCNC(=O)Cc1ccc(S(N)(=O)=O)s1)CCC(F)(F)F ZINC000579787647 532068719 /nfs/dbraw/zinc/06/87/19/532068719.db2.gz NVPVGLBYFSCRFD-UHFFFAOYSA-N 1 0 387.449 1.329 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000423108431 532071929 /nfs/dbraw/zinc/07/19/29/532071929.db2.gz MEPSLWLWBUXULJ-CABCVRRESA-N 1 0 380.286 1.933 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000423077540 532070519 /nfs/dbraw/zinc/07/05/19/532070519.db2.gz UEXDNQBXFMJURP-JSGCOSHPSA-N 1 0 382.302 1.993 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423087895 532070628 /nfs/dbraw/zinc/07/06/28/532070628.db2.gz PABHSOZHEQWJGR-KGLIPLIRSA-N 1 0 380.286 1.475 20 0 GDADRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000423086144 532070874 /nfs/dbraw/zinc/07/08/74/532070874.db2.gz LKBQMBFVMILHSH-AAEUAGOBSA-N 1 0 380.432 1.966 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2F)C1 ZINC000423230599 532073789 /nfs/dbraw/zinc/07/37/89/532073789.db2.gz JPZOTLIIDHKVIR-LLVKDONJSA-N 1 0 386.265 1.615 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000423230076 532073757 /nfs/dbraw/zinc/07/37/57/532073757.db2.gz IMHYCDRIVCKOGO-VXGBXAGGSA-N 1 0 380.286 1.530 20 0 GDADRO C[C@H](C[C@@H]1COCCN1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423108743 532072618 /nfs/dbraw/zinc/07/26/18/532072618.db2.gz UGIYVLVDANNKDG-ZIAGYGMSSA-N 1 0 375.922 1.365 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000423494550 532075421 /nfs/dbraw/zinc/07/54/21/532075421.db2.gz AUXINAVKLFUSKS-IAQYHMDHSA-N 1 0 398.301 1.612 20 0 GDADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423231118 532074203 /nfs/dbraw/zinc/07/42/03/532074203.db2.gz KXSHVPXNSIIBDL-OCCSQVGLSA-N 1 0 396.285 1.681 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)C1 ZINC000423634257 532077615 /nfs/dbraw/zinc/07/76/15/532077615.db2.gz QJYMCRNVDPTUDZ-GJZGRUSLSA-N 1 0 394.313 1.647 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000423641207 532077633 /nfs/dbraw/zinc/07/76/33/532077633.db2.gz HLPYCGGINJSFPO-YPMHNXCESA-N 1 0 386.279 1.923 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cc(F)cc(Br)c3)[C@H]2C1 ZINC000285395561 532077943 /nfs/dbraw/zinc/07/79/43/532077943.db2.gz IHIPFONRXLHLOT-DOMZBBRYSA-N 1 0 398.276 1.757 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cc(F)cc(Br)c3)[C@H]2C1 ZINC000285395581 532078368 /nfs/dbraw/zinc/07/83/68/532078368.db2.gz IHIPFONRXLHLOT-WFASDCNBSA-N 1 0 398.276 1.757 20 0 GDADRO Cc1cc(C)c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C)c1Br ZINC000602523747 532078383 /nfs/dbraw/zinc/07/83/83/532078383.db2.gz HTLZKFKWTCOTAR-OLZOCXBDSA-N 1 0 380.286 1.758 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423488143 532075956 /nfs/dbraw/zinc/07/59/56/532075956.db2.gz VXKINLRUNQTBHA-NEPJUHHUSA-N 1 0 396.285 1.081 20 0 GDADRO O=C(NC[C@H]1CCCN(C(=O)c2ncccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000325972296 532076519 /nfs/dbraw/zinc/07/65/19/532076519.db2.gz WIMHWWXYNKEWIB-TZMCWYRMSA-N 1 0 395.301 1.565 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)[C@H]1C[NH3+] ZINC000423745165 532080495 /nfs/dbraw/zinc/08/04/95/532080495.db2.gz XBMJFEUOHUWNPR-UWVGGRQHSA-N 1 0 378.420 1.706 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000423724504 532079676 /nfs/dbraw/zinc/07/96/76/532079676.db2.gz RLWCYPMYBNOZKN-VIFPVBQESA-N 1 0 376.682 1.867 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423719348 532079917 /nfs/dbraw/zinc/07/99/17/532079917.db2.gz FGKAWDIUSLMWTK-UHFFFAOYSA-N 1 0 398.276 1.901 20 0 GDADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000285416790 532080883 /nfs/dbraw/zinc/08/08/83/532080883.db2.gz JJRHMCBDRBHLIX-MAZHCROVSA-N 1 0 376.291 1.659 20 0 GDADRO CCOC(=O)[C@@]1(C[NH2+]Cc2cnn3cc(Br)cnc23)CCCOC1 ZINC000602743828 532083245 /nfs/dbraw/zinc/08/32/45/532083245.db2.gz HPCRPRHYENTTFG-MRXNPFEDSA-N 1 0 397.273 1.941 20 0 GDADRO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H](C)Cn2cc(Br)cn2)CC1 ZINC000470257448 532083364 /nfs/dbraw/zinc/08/33/64/532083364.db2.gz KOEVIGWYQGENOK-LBPRGKRZSA-N 1 0 393.351 1.826 20 0 GDADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1COC[C@H]1O ZINC000285453313 532085424 /nfs/dbraw/zinc/08/54/24/532085424.db2.gz GNBAENQBDCOQTC-CYZMBNFOSA-N 1 0 380.666 1.534 20 0 GDADRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000470934805 532090212 /nfs/dbraw/zinc/09/02/12/532090212.db2.gz WSPYLEZGCJKDCE-MFKMUULPSA-N 1 0 379.404 1.935 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)C2(CO)CC2)c1 ZINC000285541833 532092387 /nfs/dbraw/zinc/09/23/87/532092387.db2.gz PYOOBNXWRWUOHD-UHFFFAOYSA-N 1 0 389.905 1.376 20 0 GDADRO CS(=O)(=O)NCC1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000285557818 532093805 /nfs/dbraw/zinc/09/38/05/532093805.db2.gz VDSXNXBROBAHEY-INIZCTEOSA-N 1 0 390.933 1.479 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)Nc2cc(C)cc(C[NH3+])c2)s1 ZINC000424442234 532094601 /nfs/dbraw/zinc/09/46/01/532094601.db2.gz XPVCIPJFONSZBO-UHFFFAOYSA-N 1 0 382.511 1.924 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1)S(C)(=O)=O ZINC000285565416 532094844 /nfs/dbraw/zinc/09/48/44/532094844.db2.gz JVPGVJULIXSPPK-GOEBONIOSA-N 1 0 390.933 1.683 20 0 GDADRO CC(C)(COc1ncccc1Br)[NH2+]CCCOC(=O)NC(N)=O ZINC000272408342 532096075 /nfs/dbraw/zinc/09/60/75/532096075.db2.gz YPXYPOQSVVHCQF-UHFFFAOYSA-N 1 0 389.250 1.786 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1)S(C)(=O)=O ZINC000285583211 532096198 /nfs/dbraw/zinc/09/61/98/532096198.db2.gz LBTRTWRUCJXINY-CABCVRRESA-N 1 0 390.933 1.683 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000604763976 532098945 /nfs/dbraw/zinc/09/89/45/532098945.db2.gz MLGXBWFZWHVKKZ-LSDHHAIUSA-N 1 0 388.555 1.772 20 0 GDADRO O=S(=O)(c1ccc(Br)cn1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000608018780 532102081 /nfs/dbraw/zinc/10/20/81/532102081.db2.gz HAHPYRBASWLAOH-UHFFFAOYSA-N 1 0 383.271 1.750 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)[C@H]2C1 ZINC000329456183 532103888 /nfs/dbraw/zinc/10/38/88/532103888.db2.gz QCLZWGGSWVHFQG-CJNGLKHVSA-N 1 0 385.917 1.561 20 0 GDADRO CC1(C)CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)CCO1 ZINC000329487829 532104661 /nfs/dbraw/zinc/10/46/61/532104661.db2.gz RQLNJUXAZQYWNZ-UHFFFAOYSA-N 1 0 377.576 1.293 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272549780 532105230 /nfs/dbraw/zinc/10/52/30/532105230.db2.gz CVLGKHKVDGATBS-LRDDRELGSA-N 1 0 385.917 1.757 20 0 GDADRO CS[C@H]1CN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)C[C@@H]1[NH+](C)C ZINC000272581206 532105613 /nfs/dbraw/zinc/10/56/13/532105613.db2.gz MHQBXFCSALBGDH-RYUDHWBXSA-N 1 0 378.420 1.920 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000272602376 532106857 /nfs/dbraw/zinc/10/68/57/532106857.db2.gz PTRWJSAIYJRKLN-NSHDSACASA-N 1 0 386.290 1.961 20 0 GDADRO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCCc2nc[nH]c21 ZINC000374008495 532107540 /nfs/dbraw/zinc/10/75/40/532107540.db2.gz FQMDTZOAFXAYJC-CYBMUJFWSA-N 1 0 382.873 1.578 20 0 GDADRO CCS(=O)(=O)Nc1ccc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000272636430 532107986 /nfs/dbraw/zinc/10/79/86/532107986.db2.gz XWPDGXWHJQUHHN-CABCVRRESA-N 1 0 386.543 1.958 20 0 GDADRO C[NH+]1CCC2(CCCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)C2)CC1 ZINC000374103016 532111199 /nfs/dbraw/zinc/11/11/99/532111199.db2.gz XHLQYRHCNUVSBX-UHFFFAOYSA-N 1 0 399.289 1.046 20 0 GDADRO C[C@@H]1CN(C(=O)c2cncc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374314514 532117873 /nfs/dbraw/zinc/11/78/73/532117873.db2.gz DAHNOBIRSWYWIA-CZUORRHYSA-N 1 0 381.318 1.942 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000425101026 532119410 /nfs/dbraw/zinc/11/94/10/532119410.db2.gz XDTKGIJAZWOEON-GFCCVEGCSA-N 1 0 397.317 1.864 20 0 GDADRO CC[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000272866689 532119795 /nfs/dbraw/zinc/11/97/95/532119795.db2.gz RRUYNJQIFZMLGP-CZUORRHYSA-N 1 0 389.543 1.046 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285920011 532120594 /nfs/dbraw/zinc/12/05/94/532120594.db2.gz UKAZRFJXWRWHBQ-KBPBESRZSA-N 1 0 393.285 1.950 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000272887728 532121200 /nfs/dbraw/zinc/12/12/00/532121200.db2.gz OGDUBEXSNZYJBA-LLVKDONJSA-N 1 0 398.257 1.385 20 0 GDADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000285969712 532123300 /nfs/dbraw/zinc/12/33/00/532123300.db2.gz LHAPPZRKNNPBBW-ZDUSSCGKSA-N 1 0 384.527 1.011 20 0 GDADRO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374821180 532138500 /nfs/dbraw/zinc/13/85/00/532138500.db2.gz DVGPWVWRCSCDGS-HOCLYGCPSA-N 1 0 379.448 1.768 20 0 GDADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000286247856 532138540 /nfs/dbraw/zinc/13/85/40/532138540.db2.gz SAEKDBZQPYVREH-DOMZBBRYSA-N 1 0 387.527 1.545 20 0 GDADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000286247857 532138646 /nfs/dbraw/zinc/13/86/46/532138646.db2.gz SAEKDBZQPYVREH-IUODEOHRSA-N 1 0 387.527 1.545 20 0 GDADRO O=C(c1cccc(Br)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374525599 532126344 /nfs/dbraw/zinc/12/63/44/532126344.db2.gz YTCPPXBIHGKXNG-UHFFFAOYSA-N 1 0 383.286 1.748 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cnc1Br ZINC000272983994 532126327 /nfs/dbraw/zinc/12/63/27/532126327.db2.gz QQVJAUAHNPBMMA-DGCLKSJQSA-N 1 0 381.274 1.644 20 0 GDADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)NC[C@H]1CC[NH2+]C1 ZINC000272972319 532126702 /nfs/dbraw/zinc/12/67/02/532126702.db2.gz BUUIDOKUIVDGAJ-NSHDSACASA-N 1 0 379.258 1.275 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000272982158 532126882 /nfs/dbraw/zinc/12/68/82/532126882.db2.gz DEHUNSJGMHZGPM-MNOVXSKESA-N 1 0 379.404 1.098 20 0 GDADRO CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(OCC[NH3+])cc2)s1 ZINC000273041227 532130516 /nfs/dbraw/zinc/13/05/16/532130516.db2.gz VCNVRCNCMMBZRU-UHFFFAOYSA-N 1 0 383.495 1.430 20 0 GDADRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000273037590 532130724 /nfs/dbraw/zinc/13/07/24/532130724.db2.gz ODAYRTFTUVYHTE-CYBMUJFWSA-N 1 0 385.917 1.854 20 0 GDADRO C[NH+]1CCC(CC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)CC1 ZINC000273197456 532139929 /nfs/dbraw/zinc/13/99/29/532139929.db2.gz JDTYTDIQVYQEMF-UHFFFAOYSA-N 1 0 385.555 1.749 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)COc2ccsc2Cl)CC1=O ZINC000425321323 532136114 /nfs/dbraw/zinc/13/61/14/532136114.db2.gz RRGPCIYWNNWOJE-GFCCVEGCSA-N 1 0 389.905 1.076 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)[C@@H](N2CCOCC2)C1 ZINC000273137757 532136336 /nfs/dbraw/zinc/13/63/36/532136336.db2.gz DHKLSMBWEXAVIH-KXIUCKCTSA-N 1 0 384.929 1.673 20 0 GDADRO COc1c(Br)c(C)sc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286213891 532136658 /nfs/dbraw/zinc/13/66/58/532136658.db2.gz STGNFTRNQXEOKS-NSHDSACASA-N 1 0 388.331 1.947 20 0 GDADRO COC(=O)c1csc(S(=O)(=O)N2CCN(C[C@@H](OC)C3CC3)CC2)c1 ZINC000425386470 532136865 /nfs/dbraw/zinc/13/68/65/532136865.db2.gz RTCWGKVNNQHALD-CQSZACIVSA-N 1 0 388.511 1.266 20 0 GDADRO CCC[N@H+](C)[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000286222229 532136979 /nfs/dbraw/zinc/13/69/79/532136979.db2.gz FQCFJNZADXLDIN-IUODEOHRSA-N 1 0 375.922 1.777 20 0 GDADRO Cc1ncc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000273454201 532151120 /nfs/dbraw/zinc/15/11/20/532151120.db2.gz ABUQOEIJJGVNOZ-MRXNPFEDSA-N 1 0 381.523 1.887 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000331785940 532152407 /nfs/dbraw/zinc/15/24/07/532152407.db2.gz FZUGUAQPKNESIJ-HNNXBMFYSA-N 1 0 386.279 1.843 20 0 GDADRO COc1ccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c(I)c1 ZINC000331832962 532153245 /nfs/dbraw/zinc/15/32/45/532153245.db2.gz RFVKHNDSQRNOOH-QWHCGFSZSA-N 1 0 388.205 1.113 20 0 GDADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000286298869 532141522 /nfs/dbraw/zinc/14/15/22/532141522.db2.gz VNLLGPXRGIODHI-HZPDHXFCSA-N 1 0 385.555 1.257 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000286303029 532141864 /nfs/dbraw/zinc/14/18/64/532141864.db2.gz XODIICYJLARGHY-IGCXYCKISA-N 1 0 385.555 1.578 20 0 GDADRO CS(=O)(=O)CCCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000425566646 532142830 /nfs/dbraw/zinc/14/28/30/532142830.db2.gz HGVLIJWEFYUCBZ-UHFFFAOYSA-N 1 0 391.603 1.862 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1)C1CCCC1 ZINC000286341547 532143191 /nfs/dbraw/zinc/14/31/91/532143191.db2.gz KXBHJFOVYJLXOD-CQSZACIVSA-N 1 0 382.555 1.750 20 0 GDADRO CS[C@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)C[C@@H]1[NH+](C)C ZINC000331444958 532144643 /nfs/dbraw/zinc/14/46/43/532144643.db2.gz HUSRYPBDALBZGO-QWRGUYRKSA-N 1 0 384.303 1.609 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000286412383 532148359 /nfs/dbraw/zinc/14/83/59/532148359.db2.gz CSBMYSRGUVHUFZ-ZDUSSCGKSA-N 1 0 388.295 1.789 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425747519 532148534 /nfs/dbraw/zinc/14/85/34/532148534.db2.gz USHVVUHEDACQTO-HNNXBMFYSA-N 1 0 379.791 1.309 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000331550024 532149060 /nfs/dbraw/zinc/14/90/60/532149060.db2.gz QVTPSHGDERXJFL-GXTWGEPZSA-N 1 0 398.301 1.943 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425751245 532149608 /nfs/dbraw/zinc/14/96/08/532149608.db2.gz BBQWBFGKHNYSIR-UHFFFAOYSA-N 1 0 379.791 1.574 20 0 GDADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000286663680 532168100 /nfs/dbraw/zinc/16/81/00/532168100.db2.gz KFNXSELKSXUHSM-STQMWFEESA-N 1 0 376.906 1.984 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1ccnn1C ZINC000375531696 532169127 /nfs/dbraw/zinc/16/91/27/532169127.db2.gz FYKKSXFCVHZVGC-JVLSTEMRSA-N 1 0 381.278 1.377 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c(C)cc1Br ZINC000332200096 532170374 /nfs/dbraw/zinc/17/03/74/532170374.db2.gz BSSNKALBVSCXBM-LBPRGKRZSA-N 1 0 377.304 1.804 20 0 GDADRO COC(=O)CNC(=O)CC[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000375357650 532161081 /nfs/dbraw/zinc/16/10/81/532161081.db2.gz SQAVSVSPADKHBF-CYBMUJFWSA-N 1 0 385.258 1.884 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000286588000 532162200 /nfs/dbraw/zinc/16/22/00/532162200.db2.gz RXBRQGYVDUGIBE-CQSZACIVSA-N 1 0 389.543 1.138 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(I)c(F)c2)CCCO1 ZINC000332297284 532178265 /nfs/dbraw/zinc/17/82/65/532178265.db2.gz KCUYERDNCTWHBE-SNVBAGLBSA-N 1 0 378.185 1.620 20 0 GDADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)s2)C1 ZINC000375738625 532182179 /nfs/dbraw/zinc/18/21/79/532182179.db2.gz QERBNBHDFGFQSP-CYBMUJFWSA-N 1 0 386.543 1.026 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H](C)C[NH+](C)C)s1 ZINC000286783748 532175406 /nfs/dbraw/zinc/17/54/06/532175406.db2.gz RMOMBIQPAJIYTC-ZETCQYMHSA-N 1 0 385.305 1.526 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(n3cc(Br)cn3)CC2)C[C@H](C)[NH2+]1 ZINC000332258422 532175890 /nfs/dbraw/zinc/17/58/90/532175890.db2.gz BMTLSLKTOIZHDJ-TXEJJXNPSA-N 1 0 398.305 1.018 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1F ZINC000332295477 532177862 /nfs/dbraw/zinc/17/78/62/532177862.db2.gz KFCPDHIOSDCKIS-MNOVXSKESA-N 1 0 384.249 1.903 20 0 GDADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1nc2ncc(Br)cn2n1 ZINC000375977708 532190973 /nfs/dbraw/zinc/19/09/73/532190973.db2.gz YYPVFVKLHSPTMG-ZDUSSCGKSA-N 1 0 387.241 1.504 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332540019 532193673 /nfs/dbraw/zinc/19/36/73/532193673.db2.gz CKOSNHSCPDPDAN-QWRGUYRKSA-N 1 0 384.249 1.903 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000332536120 532193700 /nfs/dbraw/zinc/19/37/00/532193700.db2.gz UMGBYHUHHXBTJG-CQSZACIVSA-N 1 0 386.905 1.108 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)s1 ZINC000376123248 532196203 /nfs/dbraw/zinc/19/62/03/532196203.db2.gz QCYGHWXTLVAVHF-UHFFFAOYSA-N 1 0 389.543 1.977 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332588797 532197424 /nfs/dbraw/zinc/19/74/24/532197424.db2.gz LDDSHLDMEKWPKZ-GHMZBOCLSA-N 1 0 384.249 1.903 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000332589514 532198470 /nfs/dbraw/zinc/19/84/70/532198470.db2.gz JDESFRHIICSEHE-GWCFXTLKSA-N 1 0 381.274 1.786 20 0 GDADRO Cc1ccc(OCCC(=O)N(C)CC(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000428174428 532200318 /nfs/dbraw/zinc/20/03/18/532200318.db2.gz HRASKZTXVDTZCO-UHFFFAOYSA-N 1 0 398.301 1.417 20 0 GDADRO CCN(C(=O)C[NH2+][C@H](CCO)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000286938319 532186998 /nfs/dbraw/zinc/18/69/98/532186998.db2.gz LQSYLHQZSSYSGU-HZPDHXFCSA-N 1 0 388.917 1.389 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000286950869 532187387 /nfs/dbraw/zinc/18/73/87/532187387.db2.gz KPHRPXNDVABIKF-NSHDSACASA-N 1 0 392.319 1.136 20 0 GDADRO O=S(=O)(Cc1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000376246969 532201154 /nfs/dbraw/zinc/20/11/54/532201154.db2.gz IZVAKIDWSMUWCJ-HUUCEWRRSA-N 1 0 389.315 1.732 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000332465449 532188329 /nfs/dbraw/zinc/18/83/29/532188329.db2.gz IUGGLPTURBKNQG-BMIGLBTASA-N 1 0 398.276 1.587 20 0 GDADRO Cc1nnc([C@H](C)[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)s1 ZINC000274281837 532200836 /nfs/dbraw/zinc/20/08/36/532200836.db2.gz YOVRKPHCKWGHMW-NSHDSACASA-N 1 0 384.531 1.690 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CCC(CNS(C)(=O)=O)CC1)c1ccsc1 ZINC000286987830 532189330 /nfs/dbraw/zinc/18/93/30/532189330.db2.gz DRWZMRUJLDZGOE-OAHLLOKOSA-N 1 0 388.559 1.322 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000274146706 532189350 /nfs/dbraw/zinc/18/93/50/532189350.db2.gz HWGDTHSLYKCGKW-OAHLLOKOSA-N 1 0 387.299 1.678 20 0 GDADRO CN(C)c1cc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ncc1Br ZINC000332690426 532205828 /nfs/dbraw/zinc/20/58/28/532205828.db2.gz QSINKWAXWLDIKV-GFCCVEGCSA-N 1 0 397.321 1.422 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N3CCC[C@@H]([NH3+])C3)C2=O)ccc1Br ZINC000332701142 532206523 /nfs/dbraw/zinc/20/65/23/532206523.db2.gz WDCDWEGRUSWWCR-IUODEOHRSA-N 1 0 395.301 1.996 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000428444216 532207802 /nfs/dbraw/zinc/20/78/02/532207802.db2.gz URPAFOGKXHSHIR-YPMHNXCESA-N 1 0 389.315 1.679 20 0 GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000376344285 532208241 /nfs/dbraw/zinc/20/82/41/532208241.db2.gz PNTNIVISTNLNDL-WMLDXEAASA-N 1 0 386.539 1.479 20 0 GDADRO C[N@H+](CCOc1cc(F)cc(Br)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428816079 532216974 /nfs/dbraw/zinc/21/69/74/532216974.db2.gz KOUOSLKIWGKVPI-ZDUSSCGKSA-N 1 0 395.294 1.933 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000428199119 532201246 /nfs/dbraw/zinc/20/12/46/532201246.db2.gz LIDRZUWCCOLLQV-UHFFFAOYSA-N 1 0 394.313 1.761 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)CNC(=O)c1ccccc1I ZINC000287236964 532203091 /nfs/dbraw/zinc/20/30/91/532203091.db2.gz PSKUULOAWLGYJE-JTQLQIEISA-N 1 0 389.237 1.087 20 0 GDADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000376730451 532227058 /nfs/dbraw/zinc/22/70/58/532227058.db2.gz SYTYVGZXSZNZDJ-CYBMUJFWSA-N 1 0 378.325 1.803 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccn2)s1 ZINC000376782760 532228851 /nfs/dbraw/zinc/22/88/51/532228851.db2.gz NAKYTTALVGEQSL-CQSZACIVSA-N 1 0 380.495 1.071 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000429460413 532229068 /nfs/dbraw/zinc/22/90/68/532229068.db2.gz YKVUYPOTFSKJKA-GFCCVEGCSA-N 1 0 376.910 1.479 20 0 GDADRO O=C(Cc1ccccc1Br)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333309439 532229115 /nfs/dbraw/zinc/22/91/15/532229115.db2.gz DLBPBLJZKRZEKU-HNNXBMFYSA-N 1 0 394.313 1.805 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333300907 532229174 /nfs/dbraw/zinc/22/91/74/532229174.db2.gz IXCYEPWHLYZODB-QWHCGFSZSA-N 1 0 395.301 1.947 20 0 GDADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000376820468 532230688 /nfs/dbraw/zinc/23/06/88/532230688.db2.gz UUFIFBOUHSGCEQ-XIRDDKMYSA-N 1 0 386.539 1.395 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000429567555 532230863 /nfs/dbraw/zinc/23/08/63/532230863.db2.gz NLNWIJGNCJUHJE-OAHLLOKOSA-N 1 0 377.576 1.038 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376846276 532231121 /nfs/dbraw/zinc/23/11/21/532231121.db2.gz PFYFSMRPWAQRRO-NEPJUHHUSA-N 1 0 380.539 1.956 20 0 GDADRO Cc1cccc(S(=O)(=O)CCC[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000429706167 532232173 /nfs/dbraw/zinc/23/21/73/532232173.db2.gz FJHJNIXAZQQFIL-DLBZAZTESA-N 1 0 388.555 1.609 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000274781854 532232481 /nfs/dbraw/zinc/23/24/81/532232481.db2.gz LKPBWVRICARRSY-IUODEOHRSA-N 1 0 386.279 1.784 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333393543 532233013 /nfs/dbraw/zinc/23/30/13/532233013.db2.gz XVHMHTCVIQFKOP-RYUDHWBXSA-N 1 0 398.305 1.882 20 0 GDADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376903217 532233902 /nfs/dbraw/zinc/23/39/02/532233902.db2.gz MLHIPSIAZZRNCG-UHFFFAOYSA-N 1 0 380.539 1.862 20 0 GDADRO Cc1c(C(=O)N2CCO[C@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000274799650 532234265 /nfs/dbraw/zinc/23/42/65/532234265.db2.gz ORAGWUBTNOGKTD-CYBMUJFWSA-N 1 0 380.246 1.138 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000287524811 532220755 /nfs/dbraw/zinc/22/07/55/532220755.db2.gz BVIMZOIDFLOPLP-MRXNPFEDSA-N 1 0 376.906 1.321 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000429004234 532221085 /nfs/dbraw/zinc/22/10/85/532221085.db2.gz JDNNJYSPLXHDQC-SOUVJXGZSA-N 1 0 385.555 1.796 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)ccc1Cl ZINC000376659023 532223238 /nfs/dbraw/zinc/22/32/38/532223238.db2.gz SVXBEZIQSLUDMV-GXTWGEPZSA-N 1 0 389.905 1.686 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333210079 532225465 /nfs/dbraw/zinc/22/54/65/532225465.db2.gz TVMDZKLRIISBIG-LBPRGKRZSA-N 1 0 398.305 1.849 20 0 GDADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000376721537 532225940 /nfs/dbraw/zinc/22/59/40/532225940.db2.gz FCBPRFKWRIKBIA-CQSZACIVSA-N 1 0 377.432 1.682 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000274707619 532226964 /nfs/dbraw/zinc/22/69/64/532226964.db2.gz BGOZABFPIZYKKO-IUODEOHRSA-N 1 0 386.279 1.784 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000333626511 532242241 /nfs/dbraw/zinc/24/22/41/532242241.db2.gz ANNLZQNDUCJOHI-CQSZACIVSA-N 1 0 386.543 1.330 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000333648553 532242948 /nfs/dbraw/zinc/24/29/48/532242948.db2.gz 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Brc1cc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc2c1OCCO2 ZINC000333858411 532252364 /nfs/dbraw/zinc/25/23/64/532252364.db2.gz PFDMZWQBCGNVNE-LLVKDONJSA-N 1 0 380.246 1.702 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000333840835 532252538 /nfs/dbraw/zinc/25/25/38/532252538.db2.gz OFWOZGBNCLACCQ-FICVDOATSA-N 1 0 383.279 1.679 20 0 GDADRO O=C(NC1CC[NH2+]CC1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000333850612 532252582 /nfs/dbraw/zinc/25/25/82/532252582.db2.gz XEBRZLOVKYKLFX-CQSZACIVSA-N 1 0 381.274 1.384 20 0 GDADRO O=C(Nc1nc2c(s1)CSCC2)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000376978079 532236963 /nfs/dbraw/zinc/23/69/63/532236963.db2.gz KOGYIPHSACWKHK-LBPRGKRZSA-N 1 0 380.539 1.958 20 0 GDADRO CCc1n[nH]c(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1Br ZINC000377036977 532238191 /nfs/dbraw/zinc/23/81/91/532238191.db2.gz GBPIGDFUEICMTQ-UHFFFAOYSA-N 1 0 398.349 1.834 20 0 GDADRO CN(CCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)S(=O)(=O)c1cccs1 ZINC000333547147 532239678 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C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccnc3-n3cc(Br)cn3)C[C@@H]21 ZINC000333964319 532259734 /nfs/dbraw/zinc/25/97/34/532259734.db2.gz OWYQMAKACLOOPY-RISCZKNCSA-N 1 0 376.258 1.806 20 0 GDADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000275065811 532259851 /nfs/dbraw/zinc/25/98/51/532259851.db2.gz ZNKSLDMCZLXRRO-AWEZNQCLSA-N 1 0 383.290 1.058 20 0 GDADRO Cn1cc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1C(=O)NCC(F)(F)F ZINC000431035573 532260082 /nfs/dbraw/zinc/26/00/82/532260082.db2.gz DWWMKSKVIGSHCI-UHFFFAOYSA-N 1 0 384.424 1.113 20 0 GDADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)S(=O)(=O)C[C@H]1CCCO1 ZINC000431265420 532263189 /nfs/dbraw/zinc/26/31/89/532263189.db2.gz IMVVXSDRIVYDQS-HZPDHXFCSA-N 1 0 376.519 1.235 20 0 GDADRO Cn1cc(N2CC[C@@H]([NH2+][C@H](C(N)=O)c3cccc(Br)c3)C2)cn1 ZINC000378302722 532284826 /nfs/dbraw/zinc/28/48/26/532284826.db2.gz ACOVNWSGWSSTPP-HIFRSBDPSA-N 1 0 378.274 1.578 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000288388978 532286854 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CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(Br)cc1Br ZINC000394087050 532301598 /nfs/dbraw/zinc/30/15/98/532301598.db2.gz VZCOINFKEYUUIV-SNVBAGLBSA-N 1 0 391.107 1.845 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(F)cc1I ZINC000394076958 532301709 /nfs/dbraw/zinc/30/17/09/532301709.db2.gz BKFWBMOYYRAKKH-JTQLQIEISA-N 1 0 377.201 1.064 20 0 GDADRO Cc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1I ZINC000394694921 532301722 /nfs/dbraw/zinc/30/17/22/532301722.db2.gz BPZQJFROGHRIBJ-CYBMUJFWSA-N 1 0 399.276 1.719 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1c(Cl)cccc1Br ZINC000394425887 532301762 /nfs/dbraw/zinc/30/17/62/532301762.db2.gz RBRSSHDMILWTRO-VIFPVBQESA-N 1 0 382.711 1.284 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000288665692 532302342 /nfs/dbraw/zinc/30/23/42/532302342.db2.gz UKJKCCBNKAKSAF-OCCSQVGLSA-N 1 0 397.317 1.964 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)CCN(C)C)c(Br)c1 ZINC000288680681 532302759 /nfs/dbraw/zinc/30/27/59/532302759.db2.gz 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Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)C2)s1 ZINC000275800364 532310702 /nfs/dbraw/zinc/31/07/02/532310702.db2.gz SRZICLRORRKTCR-ZNMIVQPWSA-N 1 0 385.555 1.843 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1Br ZINC000275806678 532310799 /nfs/dbraw/zinc/31/07/99/532310799.db2.gz QBDUJIDVERSOAH-UHFFFAOYSA-N 1 0 378.292 1.590 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000288911734 532310911 /nfs/dbraw/zinc/31/09/11/532310911.db2.gz CCFPQJXSWNWWGT-KWCYVHTRSA-N 1 0 380.539 1.359 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000288911738 532311134 /nfs/dbraw/zinc/31/11/34/532311134.db2.gz CCFPQJXSWNWWGT-XBFCOCLRSA-N 1 0 380.539 1.359 20 0 GDADRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc(Br)cc1S(N)(=O)=O ZINC000275825859 532311259 /nfs/dbraw/zinc/31/12/59/532311259.db2.gz XDEDFTDGTYSSCF-GHMZBOCLSA-N 1 0 390.303 1.405 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)N(C)CCn1cc(Br)cn1 ZINC000288929842 532311590 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CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH+](CCNS(C)(=O)=O)CC2 ZINC000276432845 532329363 /nfs/dbraw/zinc/32/93/63/532329363.db2.gz LVZUVBAORWJIFN-MRXNPFEDSA-N 1 0 385.555 1.500 20 0 GDADRO Cc1cn[nH]c1C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000289679293 532330619 /nfs/dbraw/zinc/33/06/19/532330619.db2.gz ATSDYQRNEBUALV-GFCCVEGCSA-N 1 0 387.221 1.852 20 0 GDADRO C[N@H+](C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1CC1 ZINC000289738947 532331367 /nfs/dbraw/zinc/33/13/67/532331367.db2.gz IAPAIAYUGDLDKT-MRXNPFEDSA-N 1 0 387.933 1.101 20 0 GDADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000290032334 532335702 /nfs/dbraw/zinc/33/57/02/532335702.db2.gz FDVJBYRCFYWYDC-ZDUSSCGKSA-N 1 0 384.274 1.409 20 0 GDADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000359991393 212129860 /nfs/dbraw/zinc/12/98/60/212129860.db2.gz DNGFXBZIUINFTM-XJNFMUPTSA-N 1 0 379.501 1.166 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CCCOC(=O)NC(N)=O)C[C@@H]21 ZINC000359997533 212131896 /nfs/dbraw/zinc/13/18/96/212131896.db2.gz UVFIWUDMSXOJIF-MELADBBJSA-N 1 0 384.477 1.807 20 0 GDADRO O=C(c1ccc(N2NC(=O)CCC2=O)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000359907980 212123124 /nfs/dbraw/zinc/12/31/24/212123124.db2.gz ZSJPIGFIJBOMPK-UHFFFAOYSA-N 1 0 384.480 1.793 20 0 GDADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000044529024 212118871 /nfs/dbraw/zinc/11/88/71/212118871.db2.gz GDCCVOICLAWPKH-JTQLQIEISA-N 1 0 380.251 1.651 20 0 GDADRO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2CCCN2C(=O)NC(C)(C)C2=O)n1C ZINC000328639015 212089380 /nfs/dbraw/zinc/08/93/80/212089380.db2.gz PILRNGWZKFCJJV-OAHLLOKOSA-N 1 0 389.500 1.837 20 0 GDADRO O=C(c1ccc2c(c1)CCCC2)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000333337817 570787464 /nfs/dbraw/zinc/78/74/64/570787464.db2.gz XJTDBCCOBIMLIB-WOJBJXKFSA-N 1 0 382.508 1.926 20 0 GDADRO CC(C)[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nc(C2CC2)no1 ZINC000735734537 598837125 /nfs/dbraw/zinc/83/71/25/598837125.db2.gz NHDGCVHHOSJQQE-GXFFZTMASA-N 1 0 384.448 1.352 20 0 GDADRO CC(C)[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nc(C2CC2)no1 ZINC000735734538 598837296 /nfs/dbraw/zinc/83/72/96/598837296.db2.gz NHDGCVHHOSJQQE-MFKMUULPSA-N 1 0 384.448 1.352 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736456175 598872154 /nfs/dbraw/zinc/87/21/54/598872154.db2.gz DUSIWKISUZEKIY-AWEZNQCLSA-N 1 0 396.492 1.939 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000738348818 598877478 /nfs/dbraw/zinc/87/74/78/598877478.db2.gz XOWPKJWAMAQCHM-GFCCVEGCSA-N 1 0 396.904 1.627 20 0 GDADRO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736890041 598891048 /nfs/dbraw/zinc/89/10/48/598891048.db2.gz ZSVMOQJQPOOXGW-NXEZZACHSA-N 1 0 380.836 1.588 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000737298025 598953729 /nfs/dbraw/zinc/95/37/29/598953729.db2.gz LVLNXYRJVXPOFO-ZDUSSCGKSA-N 1 0 378.502 1.575 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=S)Nc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736858526 598977579 /nfs/dbraw/zinc/97/75/79/598977579.db2.gz SMTXLFMDTOHPPS-AWEZNQCLSA-N 1 0 386.529 1.275 20 0 GDADRO COC(=O)CC1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000736911944 598984062 /nfs/dbraw/zinc/98/40/62/598984062.db2.gz MXURXRAWBLDVCN-UHFFFAOYSA-N 1 0 375.429 1.529 20 0 GDADRO COC(=O)[C@H]1CC12CC[NH+](CCOc1ccc(-c3nn[nH]n3)cc1OC)CC2 ZINC000736907686 598987574 /nfs/dbraw/zinc/98/75/74/598987574.db2.gz JFVZEPSBUBUIOY-CQSZACIVSA-N 1 0 387.440 1.529 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000736564448 599008146 /nfs/dbraw/zinc/00/81/46/599008146.db2.gz BQOSSCXDWSEREL-XJKSGUPXSA-N 1 0 378.502 1.501 20 0 GDADRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cn3ccccc3c1-c1nn[nH]n1)CC2 ZINC000736612188 599048379 /nfs/dbraw/zinc/04/83/79/599048379.db2.gz LQZXPXWIJUAKOM-SJORKVTESA-N 1 0 382.468 1.871 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000737487789 599092258 /nfs/dbraw/zinc/09/22/58/599092258.db2.gz NGZFXORGIPRAJU-AWEZNQCLSA-N 1 0 397.487 1.011 20 0 GDADRO NC(=O)[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730152 599100516 /nfs/dbraw/zinc/10/05/16/599100516.db2.gz HNTYECNSYIBXEY-FUHWJXTLSA-N 1 0 377.452 1.652 20 0 GDADRO NC(=O)[C@@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730780 599100548 /nfs/dbraw/zinc/10/05/48/599100548.db2.gz LJGXHPDDHFYAQI-MOPGFXCFSA-N 1 0 391.479 1.647 20 0 GDADRO COCCCOC1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000736987073 599136229 /nfs/dbraw/zinc/13/62/29/599136229.db2.gz BPJDXKCMCNKTLJ-UHFFFAOYSA-N 1 0 391.472 1.772 20 0 GDADRO CCCCNC(=O)CC[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000736457034 599172342 /nfs/dbraw/zinc/17/23/42/599172342.db2.gz KGRURYLKZIZDJR-UHFFFAOYSA-N 1 0 375.452 1.434 20 0 GDADRO CC(C)(C)c1ccc([C@@H](O)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735649978 599178788 /nfs/dbraw/zinc/17/87/88/599178788.db2.gz MVMADUIEYBYBHH-DYVFJYSZSA-N 1 0 396.499 1.726 20 0 GDADRO CC(C)Oc1cccc([C@@H](O)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735913822 599211682 /nfs/dbraw/zinc/21/16/82/599211682.db2.gz RJUMUSDOSNOODK-GUYCJALGSA-N 1 0 398.471 1.215 20 0 GDADRO CCOCC[N@@H+]1CCN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@H]1CC ZINC000736617359 599218459 /nfs/dbraw/zinc/21/84/59/599218459.db2.gz DPQWTRLOKGHUFP-QGZVFWFLSA-N 1 0 387.488 1.509 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000823752336 607260803 /nfs/dbraw/zinc/26/08/03/607260803.db2.gz XZLJFFGDXCMBJF-UHFFFAOYSA-N 1 0 377.408 1.966 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2sccc2-c2nn[nH]n2)(N2CCCCC2)CC1 ZINC000736848982 599231276 /nfs/dbraw/zinc/23/12/76/599231276.db2.gz QJNCJXKTCNIVSD-UHFFFAOYSA-N 1 0 389.529 1.608 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cccc1-c1nn[nH]n1 ZINC000822053525 607271493 /nfs/dbraw/zinc/27/14/93/607271493.db2.gz OFKWOHSHZRIFRV-KRWDZBQOSA-N 1 0 393.451 1.533 20 0 GDADRO Cc1c(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)cccc1-c1nn[nH]n1 ZINC000822053484 607272294 /nfs/dbraw/zinc/27/22/94/607272294.db2.gz NWHAYBDWGVAMNY-UHFFFAOYSA-N 1 0 385.472 1.494 20 0 GDADRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)cccc1-c1nn[nH]n1 ZINC000822052850 607278651 /nfs/dbraw/zinc/27/86/51/607278651.db2.gz HDCKWGXEXXWYCX-UHFFFAOYSA-N 1 0 397.483 1.637 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)C[C@H]1C ZINC000821254434 607278955 /nfs/dbraw/zinc/27/89/55/607278955.db2.gz MAABSRXAURGPKU-OCCSQVGLSA-N 1 0 385.472 1.445 20 0 GDADRO Cc1c(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cccc1-c1nn[nH]n1 ZINC000822091416 607281457 /nfs/dbraw/zinc/28/14/57/607281457.db2.gz RCVGWVASUYKRFM-DLBZAZTESA-N 1 0 385.472 1.674 20 0 GDADRO Cc1c(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cccc1-c1nn[nH]n1 ZINC000822083892 607292305 /nfs/dbraw/zinc/29/23/05/607292305.db2.gz FCUNAAPXKCPJRL-UHFFFAOYSA-N 1 0 385.472 1.751 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821601311 607300753 /nfs/dbraw/zinc/30/07/53/607300753.db2.gz AMIGGCWZIQDPBN-UHFFFAOYSA-N 1 0 385.472 1.530 20 0 GDADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821622048 599282411 /nfs/dbraw/zinc/28/24/11/599282411.db2.gz QHATUADXUUMYGQ-UHFFFAOYSA-N 1 0 390.467 1.496 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000820132874 607338557 /nfs/dbraw/zinc/33/85/57/607338557.db2.gz LZIRXTJRDOWVEA-GFCCVEGCSA-N 1 0 389.435 1.181 20 0 GDADRO CC(C)[N@H+](CC1CC1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000735858857 598232105 /nfs/dbraw/zinc/23/21/05/598232105.db2.gz IJIILRCYUKCRAZ-LJQANCHMSA-N 1 0 383.456 1.712 20 0 GDADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736768626 598234393 /nfs/dbraw/zinc/23/43/93/598234393.db2.gz GNCGFIRJSSOKGA-UHFFFAOYSA-N 1 0 380.452 1.780 20 0 GDADRO O=C(CC[N@H+]1CCC[C@@H]1CO)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000737844957 598262331 /nfs/dbraw/zinc/26/23/31/598262331.db2.gz XFVWERXGVQZXFJ-GFCCVEGCSA-N 1 0 390.513 1.982 20 0 GDADRO CC[NH+]1CCC(NC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000736571456 598269050 /nfs/dbraw/zinc/26/90/50/598269050.db2.gz RSYBVISYVJLYKL-UHFFFAOYSA-N 1 0 399.499 1.904 20 0 GDADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000738117847 598269812 /nfs/dbraw/zinc/26/98/12/598269812.db2.gz WVVDNJHDYJRZPE-UHFFFAOYSA-N 1 0 385.472 1.311 20 0 GDADRO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000738075364 598269847 /nfs/dbraw/zinc/26/98/47/598269847.db2.gz QDKJANMRYFBFAE-MRXNPFEDSA-N 1 0 399.503 1.334 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCNc2ncccc2-c2nn[nH]n2)C1 ZINC000735883243 598270301 /nfs/dbraw/zinc/27/03/01/598270301.db2.gz XIIHMFMLLIPTKC-AWEZNQCLSA-N 1 0 387.492 1.093 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738033499 598294969 /nfs/dbraw/zinc/29/49/69/598294969.db2.gz BPPZPGSWHHDZAZ-WMZOPIPTSA-N 1 0 396.499 1.325 20 0 GDADRO C[C@@]1(c2ccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cc2)NC(=O)NC1=O ZINC000736225147 598300369 /nfs/dbraw/zinc/30/03/69/598300369.db2.gz WPQLOIJVJPKQPE-IBGZPJMESA-N 1 0 377.408 1.211 20 0 GDADRO C[C@@]1(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)cc2)NC(=O)NC1=O ZINC000736224673 598300371 /nfs/dbraw/zinc/30/03/71/598300371.db2.gz UUFUZCKDENTFGO-IBGZPJMESA-N 1 0 377.408 1.211 20 0 GDADRO Cc1noc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737533921 598304453 /nfs/dbraw/zinc/30/44/53/598304453.db2.gz KRNMRAPFDAOKHX-LBPRGKRZSA-N 1 0 399.459 1.393 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)CC1=O ZINC000736569422 598333107 /nfs/dbraw/zinc/33/31/07/598333107.db2.gz IFXMODWOTCVTSU-JKSUJKDBSA-N 1 0 397.483 1.446 20 0 GDADRO CC[C@H]1CN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000736406817 598344251 /nfs/dbraw/zinc/34/42/51/598344251.db2.gz COXOMJLZYXRWFV-KRWDZBQOSA-N 1 0 387.488 1.238 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737006310 598363486 /nfs/dbraw/zinc/36/34/86/598363486.db2.gz FQVMLBPDCIXHCZ-AWEZNQCLSA-N 1 0 376.486 1.186 20 0 GDADRO Cc1ccc(N(C)C2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)nn1 ZINC000737346025 598364320 /nfs/dbraw/zinc/36/43/20/598364320.db2.gz BTFCNKYHSNKVLH-UHFFFAOYSA-N 1 0 394.483 1.945 20 0 GDADRO CCN1CCN(C2CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000736571574 598366474 /nfs/dbraw/zinc/36/64/74/598366474.db2.gz UYYIEIHHCRTEHH-UHFFFAOYSA-N 1 0 399.499 1.858 20 0 GDADRO Cc1cnn(CC2CC[NH+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737442375 598368068 /nfs/dbraw/zinc/36/80/68/598368068.db2.gz FBESWDQFUVEDCQ-UHFFFAOYSA-N 1 0 394.483 1.400 20 0 GDADRO O=C(CC[NH+]1CCC(Cn2cccn2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737838808 598368673 /nfs/dbraw/zinc/36/86/73/598368673.db2.gz NHZXKZYQCDOKBW-UHFFFAOYSA-N 1 0 380.456 1.804 20 0 GDADRO CC(C)[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C[C@@H](C)O ZINC000736144955 598416009 /nfs/dbraw/zinc/41/60/09/598416009.db2.gz 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c1nn2cc(C[NH2+]CCCN3CCc4ccccc43)cnc2c1-c1nn[nH]n1 ZINC000738443031 598494241 /nfs/dbraw/zinc/49/42/41/598494241.db2.gz UKCSMMRFHABOIW-UHFFFAOYSA-N 1 0 375.440 1.452 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ncccc3-c3nn[nH]n3)c2)C1 ZINC000737746938 598502811 /nfs/dbraw/zinc/50/28/11/598502811.db2.gz UTQIXZVKWVXADC-INIZCTEOSA-N 1 0 392.467 1.571 20 0 GDADRO COc1ccc(COCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000737098651 598504055 /nfs/dbraw/zinc/50/40/55/598504055.db2.gz WQVATZAYDCFSEW-UHFFFAOYSA-N 1 0 395.467 1.609 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000735888940 598504947 /nfs/dbraw/zinc/50/49/47/598504947.db2.gz SNILJZSSEPBRKF-ZDUSSCGKSA-N 1 0 377.880 1.921 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000737486795 598505965 /nfs/dbraw/zinc/50/59/65/598505965.db2.gz FDLLJGPLLRFLHC-AWEZNQCLSA-N 1 0 397.487 1.011 20 0 GDADRO CCCO[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736489684 598506896 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FSPSHACFLJAVNA-RYUDHWBXSA-N 1 0 382.428 1.227 20 0 GDADRO C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCc2ccccc2C1 ZINC000736026379 598520256 /nfs/dbraw/zinc/52/02/56/598520256.db2.gz SCKJFEFMYHIBSK-GJZGRUSLSA-N 1 0 393.499 1.141 20 0 GDADRO c1cn(Cc2ccccc2C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cn1 ZINC000738432471 598522339 /nfs/dbraw/zinc/52/23/39/598522339.db2.gz HLXZVTJWCROXGU-CQSZACIVSA-N 1 0 390.455 1.140 20 0 GDADRO c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738424087 598522488 /nfs/dbraw/zinc/52/24/88/598522488.db2.gz AXRHTVGLRJSLLN-CYBMUJFWSA-N 1 0 376.428 1.080 20 0 GDADRO CN(C)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1 ZINC000736758873 598522889 /nfs/dbraw/zinc/52/28/89/598522889.db2.gz JHZBXWOJWFAJFQ-MLGOLLRUSA-N 1 0 385.451 1.137 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737073094 598525135 /nfs/dbraw/zinc/52/51/35/598525135.db2.gz PLGQYYRPPKHEHH-VXGBXAGGSA-N 1 0 384.444 1.473 20 0 GDADRO C[C@H]1Cc2ccccc2N1CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736295895 598525870 /nfs/dbraw/zinc/52/58/70/598525870.db2.gz BGIBBJNWXJAOLG-KBPBESRZSA-N 1 0 379.472 1.146 20 0 GDADRO COc1ccc(CCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737086759 598526430 /nfs/dbraw/zinc/52/64/30/598526430.db2.gz BIZGTOJSYFROME-CQSZACIVSA-N 1 0 398.471 1.345 20 0 GDADRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737391315 598526484 /nfs/dbraw/zinc/52/64/84/598526484.db2.gz XQDYOYFURAEVRR-CABCVRRESA-N 1 0 382.472 1.779 20 0 GDADRO CCn1c(C)cc2c1CCC[C@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736720106 598527807 /nfs/dbraw/zinc/52/78/07/598527807.db2.gz IBBRJCIHXITGST-CZUORRHYSA-N 1 0 381.488 1.902 20 0 GDADRO Cc1ccc([C@@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N2CCCC2)o1 ZINC000737320432 598529867 /nfs/dbraw/zinc/52/98/67/598529867.db2.gz QXVZULONOAPPJF-GOEBONIOSA-N 1 0 397.487 1.433 20 0 GDADRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736204899 598530051 /nfs/dbraw/zinc/53/00/51/598530051.db2.gz SSVFBNAUFJUKNB-VYDXJSESSA-N 1 0 393.499 1.530 20 0 GDADRO CCn1c2ccccc2nc1[C@@H](C)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736721018 598532300 /nfs/dbraw/zinc/53/23/00/598532300.db2.gz ZSVBBOOKBFAQRL-CHWSQXEVSA-N 1 0 392.471 1.825 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738048340 598536596 /nfs/dbraw/zinc/53/65/96/598536596.db2.gz FKOFWFJUDOAQSB-RDTXWAMCSA-N 1 0 381.484 1.436 20 0 GDADRO O=c1cc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]c2ccnn21 ZINC000738381109 598539973 /nfs/dbraw/zinc/53/99/73/598539973.db2.gz UOICXYVFYJHYHM-UHFFFAOYSA-N 1 0 392.423 1.246 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCC1 ZINC000736009416 598594767 /nfs/dbraw/zinc/59/47/67/598594767.db2.gz ZWUSHAWTLIEXGT-MAUKXSAKSA-N 1 0 383.500 1.826 20 0 GDADRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C1 ZINC000736757385 598614432 /nfs/dbraw/zinc/61/44/32/598614432.db2.gz RSJRNMMQEDBZQA-JTQLQIEISA-N 1 0 390.391 1.210 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737006000 598627747 /nfs/dbraw/zinc/62/77/47/598627747.db2.gz FFAYJULLHAJDOT-GFCCVEGCSA-N 1 0 379.852 1.752 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736747380 598673778 /nfs/dbraw/zinc/67/37/78/598673778.db2.gz RPZPNACMYLXXQZ-UHFFFAOYSA-N 1 0 377.880 1.875 20 0 GDADRO Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737273342 598679917 /nfs/dbraw/zinc/67/99/17/598679917.db2.gz AKQYTJSASJDRSP-CQSZACIVSA-N 1 0 391.483 1.634 20 0 GDADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000737964028 598697872 /nfs/dbraw/zinc/69/78/72/598697872.db2.gz WQWULZWTAHOJON-UHFFFAOYSA-N 1 0 384.484 1.561 20 0 GDADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736235993 598701930 /nfs/dbraw/zinc/70/19/30/598701930.db2.gz FHWNTQJUSDVXCW-UWVGGRQHSA-N 1 0 377.836 1.044 20 0 GDADRO Cn1cnc2c1CC[N@H+](CCC(=O)Nc1sc3c(c1-c1nn[nH]n1)CCC3)C2 ZINC000737618720 598710055 /nfs/dbraw/zinc/71/00/55/598710055.db2.gz KJJUPFPUKODCSF-UHFFFAOYSA-N 1 0 398.496 1.537 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000736009589 598731623 /nfs/dbraw/zinc/73/16/23/598731623.db2.gz HLRXXCXHYITFIJ-AWEZNQCLSA-N 1 0 393.451 1.442 20 0 GDADRO C[NH+](C)CCCNC(=S)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736767051 598733337 /nfs/dbraw/zinc/73/33/37/598733337.db2.gz JYMHNOAGHRHMJN-UHFFFAOYSA-N 1 0 389.529 1.536 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736860565 598757658 /nfs/dbraw/zinc/75/76/58/598757658.db2.gz STYYPBVLWCGXAC-LSDHHAIUSA-N 1 0 396.904 1.767 20 0 GDADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000736171905 598758265 /nfs/dbraw/zinc/75/82/65/598758265.db2.gz ZOBAZOLFEVXHDD-AWEZNQCLSA-N 1 0 388.472 1.203 20 0 GDADRO C[N@H+](CC(=O)NCc1cccs1)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736784065 598795136 /nfs/dbraw/zinc/79/51/36/598795136.db2.gz OWYSNBHJHPGAMB-UHFFFAOYSA-N 1 0 381.465 1.929 20 0 GDADRO Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737272634 598810294 /nfs/dbraw/zinc/81/02/94/598810294.db2.gz URZIMVNAWRYQAS-CQSZACIVSA-N 1 0 392.467 1.479 20 0 GDADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000736760627 598821792 /nfs/dbraw/zinc/82/17/92/598821792.db2.gz BGOQFLZBKYOFFK-HNNXBMFYSA-N 1 0 395.471 1.191 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736405329 599293479 /nfs/dbraw/zinc/29/34/79/599293479.db2.gz GLHVNZLUUPZDPA-OLZOCXBDSA-N 1 0 380.449 1.253 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000468774786 599319509 /nfs/dbraw/zinc/31/95/09/599319509.db2.gz AYKPKMURDNGBMO-UHFFFAOYSA-N 1 0 392.467 1.090 20 0 GDADRO CC[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000736384852 599320448 /nfs/dbraw/zinc/32/04/48/599320448.db2.gz ZPRHXGQXXZWFFU-CQSZACIVSA-N 1 0 385.447 1.755 20 0 GDADRO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000821659297 607368612 /nfs/dbraw/zinc/36/86/12/607368612.db2.gz YOULGCXJCGYIAJ-HNNXBMFYSA-N 1 0 382.428 1.419 20 0 GDADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000821188671 599322909 /nfs/dbraw/zinc/32/29/09/599322909.db2.gz BNXCBQFNAUJTDJ-UHFFFAOYSA-N 1 0 379.490 1.004 20 0 GDADRO O=S(=O)(c1cccc(F)c1-c1nn[nH]n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000823607174 599345480 /nfs/dbraw/zinc/34/54/80/599345480.db2.gz RLBBWQCSNILUHY-CYBMUJFWSA-N 1 0 394.476 1.645 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000737059882 599353217 /nfs/dbraw/zinc/35/32/17/599353217.db2.gz YCPCGIPABIOVLL-AWEZNQCLSA-N 1 0 389.460 1.450 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821189390 599372554 /nfs/dbraw/zinc/37/25/54/599372554.db2.gz LHJRTWGVNSPSHF-HNNXBMFYSA-N 1 0 378.502 1.360 20 0 GDADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000737630978 599443746 /nfs/dbraw/zinc/44/37/46/599443746.db2.gz AGNMQPFIVYTZCO-UHFFFAOYSA-N 1 0 397.405 1.829 20 0 GDADRO CN(C)C(=O)COc1ccccc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821578337 599450978 /nfs/dbraw/zinc/45/09/78/599450978.db2.gz YXMQWZPULYRMIX-UHFFFAOYSA-N 1 0 396.451 1.502 20 0 GDADRO COc1ccccc1O[C@H](C)C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000821903399 599458672 /nfs/dbraw/zinc/45/86/72/599458672.db2.gz GCQNCZCUIRFJNQ-OLZOCXBDSA-N 1 0 384.444 1.171 20 0 GDADRO O[C@@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)C[NH+]1CCCCC1 ZINC000823689797 599475501 /nfs/dbraw/zinc/47/55/01/599475501.db2.gz JHZKXOIIESWNCT-NSHDSACASA-N 1 0 389.410 1.374 20 0 GDADRO COC(=O)CC[N@@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)CC(C)C ZINC000821661661 599570146 /nfs/dbraw/zinc/57/01/46/599570146.db2.gz SPUYFBWNHQEJQY-UHFFFAOYSA-N 1 0 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C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000824770136 607595127 /nfs/dbraw/zinc/59/51/27/607595127.db2.gz FHJBSZXVJVLMOV-HOCLYGCPSA-N 1 0 398.492 1.981 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)[NH+]1CCC(C)CC1 ZINC000824953558 607600293 /nfs/dbraw/zinc/60/02/93/607600293.db2.gz FSZOTYSBIABGDP-GFCCVEGCSA-N 1 0 382.465 1.405 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000825328027 607601781 /nfs/dbraw/zinc/60/17/81/607601781.db2.gz ODIBGPFXFQFPFR-UHFFFAOYSA-N 1 0 382.465 1.406 20 0 GDADRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000826022784 607602656 /nfs/dbraw/zinc/60/26/56/607602656.db2.gz RKGWRHHNCINISC-UHFFFAOYSA-N 1 0 384.893 1.530 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000738853157 603135148 /nfs/dbraw/zinc/13/51/48/603135148.db2.gz QSLNLKDOGDUHGZ-AEFFLSMTSA-N 1 0 380.533 1.830 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[nH]n3)CC[C@H]21 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HFRYJAUQUJJVQM-UHFFFAOYSA-N 1 0 384.484 1.622 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccc(Cl)c(Cl)c1 ZINC000530031750 649962850 /nfs/dbraw/zinc/96/28/50/649962850.db2.gz MJZUDFXIWNMLJT-SNVBAGLBSA-N 1 0 386.239 1.810 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1nc2ncc(Br)cn2n1 ZINC000530027066 649962975 /nfs/dbraw/zinc/96/29/75/649962975.db2.gz WJNXWXDMENLCGV-LBPRGKRZSA-N 1 0 379.262 1.634 20 0 GDADRO C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321039 606025673 /nfs/dbraw/zinc/02/56/73/606025673.db2.gz BLWYATMETVXKAX-BTYIYWSLSA-N 1 0 392.463 1.681 20 0 GDADRO Cn1cc(C[C@@H]2CC[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cn1 ZINC000822674453 606113352 /nfs/dbraw/zinc/11/33/52/606113352.db2.gz ULJNMKYSUNJGFM-KSSFIOAISA-N 1 0 392.467 1.270 20 0 GDADRO CNC(=O)c1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821635339 606130679 /nfs/dbraw/zinc/13/06/79/606130679.db2.gz XSHFNZPZZKJMHW-QGZVFWFLSA-N 1 0 396.451 1.098 20 0 GDADRO COc1ccc(OCC[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821841709 606131274 /nfs/dbraw/zinc/13/12/74/606131274.db2.gz MNFJRTMUALNETA-HNNXBMFYSA-N 1 0 385.424 1.284 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@]3(CCCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504720 606179284 /nfs/dbraw/zinc/17/92/84/606179284.db2.gz SYBYABDRHYIONJ-YLJYHZDGSA-N 1 0 382.468 1.865 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000821254995 606190136 /nfs/dbraw/zinc/19/01/36/606190136.db2.gz RJCCHVFBGXRJIJ-HOCLYGCPSA-N 1 0 392.529 1.445 20 0 GDADRO C[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820658424 606194971 /nfs/dbraw/zinc/19/49/71/606194971.db2.gz SGGYKIZRTWEOIW-DZGCQCFKSA-N 1 0 395.471 1.775 20 0 GDADRO CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000819796052 606215372 /nfs/dbraw/zinc/21/53/72/606215372.db2.gz AORWZDGERQOUHL-UHFFFAOYSA-N 1 0 397.508 1.887 20 0 GDADRO CN(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccco1 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/nfs/dbraw/zinc/33/06/18/606330618.db2.gz ISMSEXHVQVRYDB-ZFWWWQNUSA-N 1 0 389.529 1.840 20 0 GDADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000821412059 606330739 /nfs/dbraw/zinc/33/07/39/606330739.db2.gz HDXRMYFVGUSZEI-KRWDZBQOSA-N 1 0 391.501 1.824 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@]3(CCCOC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504642 606333081 /nfs/dbraw/zinc/33/30/81/606333081.db2.gz SKPYVEZPKRFMSE-KDOFPFPSSA-N 1 0 388.497 1.926 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000821255405 606335906 /nfs/dbraw/zinc/33/59/06/606335906.db2.gz ZYABIHZEFAKZMQ-OLZOCXBDSA-N 1 0 375.502 1.815 20 0 GDADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000823344009 606354856 /nfs/dbraw/zinc/35/48/56/606354856.db2.gz NVSVHLJRCGDFQH-UHFFFAOYSA-N 1 0 389.435 1.582 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000822535545 606392020 /nfs/dbraw/zinc/39/20/20/606392020.db2.gz VWIQQMDWQPAGBO-UHFFFAOYSA-N 1 0 383.456 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ZINC000824393259 608112951 /nfs/dbraw/zinc/11/29/51/608112951.db2.gz RDRBSNMSBUKPRK-WQGACYEGSA-N 1 0 386.435 1.346 20 0 GDADRO C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825020196 608114686 /nfs/dbraw/zinc/11/46/86/608114686.db2.gz JFQASEUNLFCNRB-YOEHRIQHSA-N 1 0 385.472 1.261 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000824047121 608130995 /nfs/dbraw/zinc/13/09/95/608130995.db2.gz XSOYKWZPCDKLJV-ZIAGYGMSSA-N 1 0 386.456 1.669 20 0 GDADRO CC1([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)OCCO1 ZINC000824816797 608131546 /nfs/dbraw/zinc/13/15/46/608131546.db2.gz IBEAJBYJUGXVPE-OAHLLOKOSA-N 1 0 397.439 1.892 20 0 GDADRO C[C@@]1([NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCO[C@@H]1C1CC1 ZINC000824839064 608132959 /nfs/dbraw/zinc/13/29/59/608132959.db2.gz YDDDMASHOKERCE-NVXWUHKLSA-N 1 0 377.470 1.188 20 0 GDADRO C[C@H]1CN(c2c(Cl)cccc2-c2nn[nH]n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824995345 608151078 /nfs/dbraw/zinc/15/10/78/608151078.db2.gz ZFGVHSOEUHJFGY-XJKSGUPXSA-N 1 0 375.908 1.982 20 0 GDADRO CC(C)(C)c1nc(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cs1 ZINC000824142050 608242429 /nfs/dbraw/zinc/24/24/29/608242429.db2.gz RKZGBGHOGOHDIH-NSHDSACASA-N 1 0 387.517 1.691 20 0 GDADRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826292991 608299834 /nfs/dbraw/zinc/29/98/34/608299834.db2.gz WHUZLPSWTIRNDF-UHFFFAOYSA-N 1 0 390.469 1.521 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1CONC(=[NH2+])[C@@H]1COc2ccccc2O1 ZINC000826172973 608325440 /nfs/dbraw/zinc/32/54/40/608325440.db2.gz GTCQRDUZIUAWNS-INIZCTEOSA-N 1 0 382.380 1.714 20 0 GDADRO O=C(C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410786 608326685 /nfs/dbraw/zinc/32/66/85/608326685.db2.gz YNWKNZNSHLZJGD-IAGOWNOFSA-N 1 0 384.484 1.622 20 0 GDADRO Cc1cc(C2CC[NH+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]n1 ZINC000826265585 608384675 /nfs/dbraw/zinc/38/46/75/608384675.db2.gz FYZRWBKSWHKISX-MRXNPFEDSA-N 1 0 383.456 1.518 20 0 GDADRO O=C(NCCC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F ZINC000826436904 608393442 /nfs/dbraw/zinc/39/34/42/608393442.db2.gz ODPDMXXAFJIWKI-UHFFFAOYSA-N 1 0 398.389 1.779 20 0 GDADRO O=C(NOC1CCCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826449608 608426657 /nfs/dbraw/zinc/42/66/57/608426657.db2.gz BAHREVLMEJMKRV-UHFFFAOYSA-N 1 0 385.472 1.958 20 0 GDADRO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826134140 608461478 /nfs/dbraw/zinc/46/14/78/608461478.db2.gz SQSXDMQRLGOTHX-STQMWFEESA-N 1 0 386.456 1.317 20 0 GDADRO COc1cc([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)ccc1OCCO ZINC000826177875 608470822 /nfs/dbraw/zinc/47/08/22/608470822.db2.gz ZENZEJDTDWYZQG-AWEZNQCLSA-N 1 0 399.451 1.976 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568591 608483504 /nfs/dbraw/zinc/48/35/04/608483504.db2.gz AXMZOQWZEARKFY-MGPUTAFESA-N 1 0 378.480 1.937 20 0 GDADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC000826165677 608523046 /nfs/dbraw/zinc/52/30/46/608523046.db2.gz FDZDPCZXYGGRGU-HOCLYGCPSA-N 1 0 380.456 1.587 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)CCC1=O ZINC000824865709 608545333 /nfs/dbraw/zinc/54/53/33/608545333.db2.gz JBDNHEAGTCZXBT-WMLDXEAASA-N 1 0 384.484 1.762 20 0 GDADRO CC[N@H+](Cc1cnc2c(C(N)=O)cnn2c1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825443809 608550555 /nfs/dbraw/zinc/55/05/55/608550555.db2.gz GNEXNJPZTBUGOX-GFCCVEGCSA-N 1 0 391.439 1.591 20 0 GDADRO Cn1cc([C@H]([NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C(C)(C)C)cn1 ZINC000826359983 608554523 /nfs/dbraw/zinc/55/45/23/608554523.db2.gz UJFXVWYEUOIJFS-KRWDZBQOSA-N 1 0 382.472 1.593 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000826358448 608560978 /nfs/dbraw/zinc/56/09/78/608560978.db2.gz UQLFJHXUIPAOEW-UHFFFAOYSA-N 1 0 381.440 1.414 20 0 GDADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000443047442 608563281 /nfs/dbraw/zinc/56/32/81/608563281.db2.gz MPFSVROVGFBHTJ-UHFFFAOYSA-N 1 0 396.904 1.769 20 0 GDADRO NC(=O)c1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826393364 608570512 /nfs/dbraw/zinc/57/05/12/608570512.db2.gz OXHGOCUODPLVKX-UHFFFAOYSA-N 1 0 393.451 1.840 20 0 GDADRO C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000824598771 608576489 /nfs/dbraw/zinc/57/64/89/608576489.db2.gz IMJFAULAHNABSF-GFCCVEGCSA-N 1 0 388.453 1.244 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824983973 608587514 /nfs/dbraw/zinc/58/75/14/608587514.db2.gz FFIUPSKAEHFINC-NWDGAFQWSA-N 1 0 377.880 1.873 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(C)nc2C(C)(C)C)c1-c1nn[nH]n1 ZINC000826083948 608615273 /nfs/dbraw/zinc/61/52/73/608615273.db2.gz SDJRPCSFYMDKGD-UHFFFAOYSA-N 1 0 386.464 1.025 20 0 GDADRO OCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H]1CCc2ccccc21 ZINC000826510076 608703280 /nfs/dbraw/zinc/70/32/80/608703280.db2.gz XBNMPFULORPNNK-SFHVURJKSA-N 1 0 375.436 1.996 20 0 GDADRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593230 609139626 /nfs/dbraw/zinc/13/96/26/609139626.db2.gz POKDHLQSVFRCDM-DYVFJYSZSA-N 1 0 389.479 1.599 20 0 GDADRO Cc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259087 609140831 /nfs/dbraw/zinc/14/08/31/609140831.db2.gz HASOKNVWJVRSQE-UHFFFAOYSA-N 1 0 392.467 1.717 20 0 GDADRO CCS(=O)(=O)NCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530607093 649979822 /nfs/dbraw/zinc/97/98/22/649979822.db2.gz OQSFGXAPZCEXBG-AWEZNQCLSA-N 1 0 376.910 1.181 20 0 GDADRO Cc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826256830 609153516 /nfs/dbraw/zinc/15/35/16/609153516.db2.gz BQUKJCUPAGDRSW-UHFFFAOYSA-N 1 0 394.483 1.775 20 0 GDADRO C[C@H](CCn1cccn1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824412700 609167073 /nfs/dbraw/zinc/16/70/73/609167073.db2.gz DVZYTVCMEPTXJX-PBHICJAKSA-N 1 0 380.456 1.627 20 0 GDADRO Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826366616 609168459 /nfs/dbraw/zinc/16/84/59/609168459.db2.gz QFBOCHRFVAZQHQ-SJORKVTESA-N 1 0 392.467 1.763 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)cn1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826472141 609170942 /nfs/dbraw/zinc/17/09/42/609170942.db2.gz YYPIOQWHIDTYTF-UHFFFAOYSA-N 1 0 385.472 1.226 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826430159 609196686 /nfs/dbraw/zinc/19/66/86/609196686.db2.gz VRQCGLHOOYPCQV-MOPGFXCFSA-N 1 0 392.463 1.681 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825854518 609207464 /nfs/dbraw/zinc/20/74/64/609207464.db2.gz CJDWGSBBPXYERQ-QZTJIDSGSA-N 1 0 380.452 1.189 20 0 GDADRO C[N@H+](CCN1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)Cc1ccccc1 ZINC000825937961 609209926 /nfs/dbraw/zinc/20/99/26/609209926.db2.gz LNMUBLXKONYXBW-UHFFFAOYSA-N 1 0 394.483 1.085 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000825406088 609212923 /nfs/dbraw/zinc/21/29/23/609212923.db2.gz JEENBUSZZMKJCL-DOTOQJQBSA-N 1 0 384.440 1.692 20 0 GDADRO O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000826398484 609214201 /nfs/dbraw/zinc/21/42/01/609214201.db2.gz XWWKRGIUIDZWBK-SFHVURJKSA-N 1 0 384.484 1.625 20 0 GDADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000824957360 609215837 /nfs/dbraw/zinc/21/58/37/609215837.db2.gz XJFALDPMLABLSF-APWZRJJASA-N 1 0 398.511 1.871 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825981094 609239616 /nfs/dbraw/zinc/23/96/16/609239616.db2.gz ONBGSUSVIFWAPG-OALUTQOASA-N 1 0 392.463 1.633 20 0 GDADRO Cc1nnc(SCC(=O)NC2CC[NH+](C(C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000826336576 609308225 /nfs/dbraw/zinc/30/82/25/609308225.db2.gz DSJPJKDLMWHVQV-UHFFFAOYSA-N 1 0 390.517 1.355 20 0 GDADRO C[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1)C1=CC[N@H+](C)CC1 ZINC000824513571 609314544 /nfs/dbraw/zinc/31/45/44/609314544.db2.gz CMGRAUXAWULMQM-LBPRGKRZSA-N 1 0 393.455 1.015 20 0 GDADRO C[C@@H](NC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)C1=CC[N@H+](C)CC1 ZINC000824489624 609316487 /nfs/dbraw/zinc/31/64/87/609316487.db2.gz MFZSKBSCBQYCGL-OAHLLOKOSA-N 1 0 396.499 1.349 20 0 GDADRO C[NH+](C)C[C@@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000825859630 609318669 /nfs/dbraw/zinc/31/86/69/609318669.db2.gz IMNVMACDPGCVTR-AWEZNQCLSA-N 1 0 385.472 1.386 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545864 609335499 /nfs/dbraw/zinc/33/54/99/609335499.db2.gz DYQSDKRMGSNPCP-HOCLYGCPSA-N 1 0 389.479 1.063 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361032 609341888 /nfs/dbraw/zinc/34/18/88/609341888.db2.gz ILQMAPNTXBKYQA-OAHLLOKOSA-N 1 0 378.440 1.120 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360849 609342022 /nfs/dbraw/zinc/34/20/22/609342022.db2.gz ALJJIMREHRARLL-MRXNPFEDSA-N 1 0 375.440 1.637 20 0 GDADRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826153065 609344436 /nfs/dbraw/zinc/34/44/36/609344436.db2.gz ASYCKEASUHFWJC-GFCCVEGCSA-N 1 0 376.436 1.684 20 0 GDADRO C[NH+]1CCC(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC1 ZINC000826029439 609361791 /nfs/dbraw/zinc/36/17/91/609361791.db2.gz SBOWHNRVXJCKLZ-UHFFFAOYSA-N 1 0 385.407 1.407 20 0 GDADRO OCCOC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826510570 609367830 /nfs/dbraw/zinc/36/78/30/609367830.db2.gz YLMLQXDVVCDSMY-UHFFFAOYSA-N 1 0 382.262 1.603 20 0 GDADRO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cc(=O)[nH]1 ZINC000825693973 609378611 /nfs/dbraw/zinc/37/86/11/609378611.db2.gz JDBPRSGMFKMREM-UHFFFAOYSA-N 1 0 395.467 1.734 20 0 GDADRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000826215440 609403610 /nfs/dbraw/zinc/40/36/10/609403610.db2.gz OSLBWBYFVJHSIC-YJBOKZPZSA-N 1 0 393.451 1.911 20 0 GDADRO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000826487856 609410777 /nfs/dbraw/zinc/41/07/77/609410777.db2.gz BMBLLMAECHAENJ-INIZCTEOSA-N 1 0 390.513 1.693 20 0 GDADRO O=C1[C@@H]([NH2+][C@@H]2CCc3nccn3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477196 609415784 /nfs/dbraw/zinc/41/57/84/609415784.db2.gz XRPFQRWDWCZGCA-ZBFHGGJFSA-N 1 0 378.440 1.163 20 0 GDADRO CC(C)[NH+]1CCC(N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824297592 609416040 /nfs/dbraw/zinc/41/60/40/609416040.db2.gz XJWNKKKWGGHTNQ-SFHVURJKSA-N 1 0 383.500 1.825 20 0 GDADRO COc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826218996 609424868 /nfs/dbraw/zinc/42/48/68/609424868.db2.gz QEBXFHUGYKDBMT-ZDUSSCGKSA-N 1 0 388.453 1.589 20 0 GDADRO O=C(CC[NH2+][C@H](CO)c1ccc(F)cc1)Nc1sccc1-c1nn[nH]n1 ZINC000826407439 609425323 /nfs/dbraw/zinc/42/53/23/609425323.db2.gz NADGFLPUYZHXKO-CYBMUJFWSA-N 1 0 376.417 1.719 20 0 GDADRO O=C(CC[NH2+][C@@H](CO)c1ccc(F)cc1)Nc1sccc1-c1nn[nH]n1 ZINC000826407440 609425676 /nfs/dbraw/zinc/42/56/76/609425676.db2.gz NADGFLPUYZHXKO-ZDUSSCGKSA-N 1 0 376.417 1.719 20 0 GDADRO COC(=O)C1CC[NH+](CCCNc2nc3ccccn3c2-c2nn[nH]n2)CC1 ZINC000826134358 609462269 /nfs/dbraw/zinc/46/22/69/609462269.db2.gz VYZNOEJFDJELQS-UHFFFAOYSA-N 1 0 384.444 1.201 20 0 GDADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1 ZINC000826189250 609468488 /nfs/dbraw/zinc/46/84/88/609468488.db2.gz QSBOGEVTOCAELV-QGZVFWFLSA-N 1 0 381.440 1.770 20 0 GDADRO CCN(CC)S(=O)(=O)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530830643 649981801 /nfs/dbraw/zinc/98/18/01/649981801.db2.gz PKFOMSMYCMSVQP-HNNXBMFYSA-N 1 0 375.922 1.731 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C=Cc1cncc(O)c1 ZINC000825865657 609500939 /nfs/dbraw/zinc/50/09/39/609500939.db2.gz JPQYFSJTIQHJCC-VOTSOKGWSA-N 1 0 393.451 1.571 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNc2ncc(Cl)c(C)c2-c2nn[nH]n2)CC1 ZINC000825460322 609536754 /nfs/dbraw/zinc/53/67/54/609536754.db2.gz TZKOVSMJVBBQFV-GFCCVEGCSA-N 1 0 378.912 1.909 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000824950082 609538618 /nfs/dbraw/zinc/53/86/18/609538618.db2.gz ZRHZZGVAYJUKQK-VXGBXAGGSA-N 1 0 398.920 1.919 20 0 GDADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CC[N@@H+]1C ZINC000824884314 609548849 /nfs/dbraw/zinc/54/88/49/609548849.db2.gz NFVVPQUOSVURBO-PWSUYJOCSA-N 1 0 384.893 1.623 20 0 GDADRO CC[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000825176323 609576841 /nfs/dbraw/zinc/57/68/41/609576841.db2.gz PDPAANNDUHURDP-ROUUACIJSA-N 1 0 386.500 1.962 20 0 GDADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826022657 609625528 /nfs/dbraw/zinc/62/55/28/609625528.db2.gz QQHSMXCTUBLLRO-UHFFFAOYSA-N 1 0 391.863 1.307 20 0 GDADRO CC[C@@H](C(=O)NCCNS(=O)(=O)c1cc(C)sc1C)[NH+](CC)CC ZINC000532524600 650026592 /nfs/dbraw/zinc/02/65/92/650026592.db2.gz CALMOCDCRYDODY-AWEZNQCLSA-N 1 0 375.560 1.880 20 0 GDADRO Cc1nc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)sc1C ZINC000533253473 650047517 /nfs/dbraw/zinc/04/75/17/650047517.db2.gz XWFWJBBIFQFTNC-UHFFFAOYSA-N 1 0 377.532 1.654 20 0 GDADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CC[NH+](C3CCC3)CC2)c1 ZINC000533439938 650052362 /nfs/dbraw/zinc/05/23/62/650052362.db2.gz GUZYLUGMMVXJEY-UHFFFAOYSA-N 1 0 386.905 1.096 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC(C[NH+](C)C)CC2)s1 ZINC000533400141 650051234 /nfs/dbraw/zinc/05/12/34/650051234.db2.gz HJJUABIQVTXNRZ-UHFFFAOYSA-N 1 0 388.559 1.318 20 0 GDADRO CN(C)S(=O)(=O)c1cc(NC(=O)CSCC[NH+](C)C)ccc1Cl ZINC000535255523 650244844 /nfs/dbraw/zinc/24/48/44/650244844.db2.gz VAXBKCPLELAIPU-UHFFFAOYSA-N 1 0 379.935 1.824 20 0 GDADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C ZINC000536883114 650282134 /nfs/dbraw/zinc/28/21/34/650282134.db2.gz SCIRQJBSYMVWAP-GFCCVEGCSA-N 1 0 391.921 1.983 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000537964498 650302371 /nfs/dbraw/zinc/30/23/71/650302371.db2.gz SMFSSHTTXRHJFL-UKRRQHHQSA-N 1 0 388.917 1.480 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000538317231 650308967 /nfs/dbraw/zinc/30/89/67/650308967.db2.gz ANVRAKLKROMMTH-UHFFFAOYSA-N 1 0 398.301 1.975 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-n2cncn2)cc1Cl ZINC000539046378 650327586 /nfs/dbraw/zinc/32/75/86/650327586.db2.gz DUBOKDROCGJWBB-CHWSQXEVSA-N 1 0 383.905 1.853 20 0 GDADRO COCCCN(C(=O)NCCC[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000540281897 650354795 /nfs/dbraw/zinc/35/47/95/650354795.db2.gz QEODCKUTHVCHNM-MRXNPFEDSA-N 1 0 375.535 1.098 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000540723256 650368717 /nfs/dbraw/zinc/36/87/17/650368717.db2.gz HNWCLHDZPQBERW-YWPYICTPSA-N 1 0 386.514 1.892 20 0 GDADRO C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000540965227 650374807 /nfs/dbraw/zinc/37/48/07/650374807.db2.gz PXZFJGXNOJWNPI-OLZOCXBDSA-N 1 0 385.555 1.707 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000541317604 650381997 /nfs/dbraw/zinc/38/19/97/650381997.db2.gz CZVCFZWFOHQHKU-HOTGVXAUSA-N 1 0 375.535 1.096 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000541528051 650385692 /nfs/dbraw/zinc/38/56/92/650385692.db2.gz JKTVRMPVGIHHGT-UHFFFAOYSA-N 1 0 387.933 1.948 20 0 GDADRO C[NH+](C)CCOCCNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000541528529 650385714 /nfs/dbraw/zinc/38/57/14/650385714.db2.gz UBPWKKZIVQZQCQ-UHFFFAOYSA-N 1 0 381.274 1.943 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(C)ccc1Cl ZINC000541586208 650387206 /nfs/dbraw/zinc/38/72/06/650387206.db2.gz VPKOVVYPQOGUCH-ZIAGYGMSSA-N 1 0 376.906 1.402 20 0 GDADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)ccc1S(C)(=O)=O ZINC000543428894 650422303 /nfs/dbraw/zinc/42/23/03/650422303.db2.gz HSSILJWWJYMLPI-JSGCOSHPSA-N 1 0 375.512 1.717 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000546781755 650486183 /nfs/dbraw/zinc/48/61/83/650486183.db2.gz ZDRXVGBHNMSDSN-UHFFFAOYSA-N 1 0 375.535 1.218 20 0 GDADRO COc1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c(I)c1 ZINC000547275714 650493436 /nfs/dbraw/zinc/49/34/36/650493436.db2.gz HXKYUZJJNMVMKY-CQSZACIVSA-N 1 0 390.221 1.096 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000547278759 650493907 /nfs/dbraw/zinc/49/39/07/650493907.db2.gz FDXCZAKCTWLAHZ-GFCCVEGCSA-N 1 0 385.230 1.072 20 0 GDADRO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000547364720 650496534 /nfs/dbraw/zinc/49/65/34/650496534.db2.gz ITKVGIITZHIOJV-YUELXQCFSA-N 1 0 392.974 1.810 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000547625816 650509916 /nfs/dbraw/zinc/50/99/16/650509916.db2.gz QOQGJLWWRWDQDH-CABCVRRESA-N 1 0 387.502 1.125 20 0 GDADRO COC[C@@](C)(O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000547827721 650517043 /nfs/dbraw/zinc/51/70/43/650517043.db2.gz XGJCSYKGEMGATG-JSGCOSHPSA-N 1 0 378.288 1.655 20 0 GDADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000547848944 650517343 /nfs/dbraw/zinc/51/73/43/650517343.db2.gz PGUMYGROLHPZDA-UHFFFAOYSA-N 1 0 376.548 1.288 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H](O)[C@@H]2CCOC2)c2cc(Br)ccc21 ZINC000548153938 650532953 /nfs/dbraw/zinc/53/29/53/650532953.db2.gz NFMOEOUMGKTTNS-DDTOSNHZSA-N 1 0 390.299 1.655 20 0 GDADRO O=S1(=O)CC[C@H]([NH2+]CC2(CO)COC2)c2cc(Br)ccc21 ZINC000548481970 650546934 /nfs/dbraw/zinc/54/69/34/650546934.db2.gz FXQWUUXSOCCGBR-LBPRGKRZSA-N 1 0 376.272 1.266 20 0 GDADRO CC(=O)NCCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1CCSCC1 ZINC000549135422 650570698 /nfs/dbraw/zinc/57/06/98/650570698.db2.gz RRYJTSFTLNNWGX-KRWDZBQOSA-N 1 0 388.603 1.467 20 0 GDADRO CN(CC[NH+](C)C)C(=O)NCCOc1ccc(I)cc1 ZINC000549176948 650571740 /nfs/dbraw/zinc/57/17/40/650571740.db2.gz NMXNFTVNABLJQM-UHFFFAOYSA-N 1 0 391.253 1.873 20 0 GDADRO C[C@H](COC1CCCC1)CS(=O)(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000549427618 650577182 /nfs/dbraw/zinc/57/71/82/650577182.db2.gz NKRFLVBRLTUCDF-MRXNPFEDSA-N 1 0 375.579 1.527 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)c1F ZINC000916187147 660188575 /nfs/dbraw/zinc/18/85/75/660188575.db2.gz UZYRZWZXHYEVPC-VIFPVBQESA-N 1 0 381.267 1.827 20 0 GDADRO CS(=O)(=O)CC1CCC([NH2+]C[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000551005694 650599581 /nfs/dbraw/zinc/59/95/81/650599581.db2.gz OBUAJSBEUVLCAD-JCYILVPMSA-N 1 0 376.588 1.387 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550838680 650597401 /nfs/dbraw/zinc/59/74/01/650597401.db2.gz JRAUUWPMBBYDSR-NSHDSACASA-N 1 0 386.283 1.269 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000553096627 650638277 /nfs/dbraw/zinc/63/82/77/650638277.db2.gz WQFMKCDNARVISM-SOUVJXGZSA-N 1 0 377.576 1.133 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)cnc2c1Cl ZINC000553560819 650650954 /nfs/dbraw/zinc/65/09/54/650650954.db2.gz WMOOIGXLODIUER-OCCSQVGLSA-N 1 0 383.905 1.938 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(OC)cc3Cl)C2)CC1 ZINC000554697834 650680110 /nfs/dbraw/zinc/68/01/10/650680110.db2.gz ICIUDUXRIGEPNU-AWEZNQCLSA-N 1 0 387.933 1.749 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)C[C@@H](C)COC2CCCC2)CC1 ZINC000555322068 650688997 /nfs/dbraw/zinc/68/89/97/650688997.db2.gz QGHPJMMBHSTEFC-INIZCTEOSA-N 1 0 376.563 1.736 20 0 GDADRO C[NH+](C)CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000555085994 650685389 /nfs/dbraw/zinc/68/53/89/650685389.db2.gz IYUKCKKEAOYHIR-UHFFFAOYSA-N 1 0 394.324 1.824 20 0 GDADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000556236143 650700638 /nfs/dbraw/zinc/70/06/38/650700638.db2.gz OJHXHUGZIRLQKY-XJKSGUPXSA-N 1 0 375.512 1.414 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000556591991 650707169 /nfs/dbraw/zinc/70/71/69/650707169.db2.gz RCKQJUMBXBMAAL-HNNXBMFYSA-N 1 0 397.317 1.927 20 0 GDADRO CN(C(=O)[C@@]12CCC(=O)N1CCS2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000556705216 650709410 /nfs/dbraw/zinc/70/94/10/650709410.db2.gz SPJQLDASTXOVGW-HNNXBMFYSA-N 1 0 379.448 1.927 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556996173 650716138 /nfs/dbraw/zinc/71/61/38/650716138.db2.gz DNRKAJASYVRHKT-NSHDSACASA-N 1 0 386.315 1.822 20 0 GDADRO CCSc1nnc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC000557069262 650716600 /nfs/dbraw/zinc/71/66/00/650716600.db2.gz TWYILBLKZKDVCQ-NSHDSACASA-N 1 0 386.547 1.714 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)c1c(Cl)cccc1Cl ZINC000557461076 650726206 /nfs/dbraw/zinc/72/62/06/650726206.db2.gz FHGIGXMKRSMMES-LBPRGKRZSA-N 1 0 390.311 1.908 20 0 GDADRO O=S(=O)(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000563885176 650741904 /nfs/dbraw/zinc/74/19/04/650741904.db2.gz MMRYCGLCOFQTQA-UHFFFAOYSA-N 1 0 380.539 1.629 20 0 GDADRO C[C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc(Br)s1 ZINC000563956693 650744907 /nfs/dbraw/zinc/74/49/07/650744907.db2.gz MAAUQOSRVRYSDJ-QMMMGPOBSA-N 1 0 385.291 1.781 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000564106676 650749175 /nfs/dbraw/zinc/74/91/75/650749175.db2.gz WPPMPHKTMHRGKU-OAHLLOKOSA-N 1 0 398.301 1.292 20 0 GDADRO CO[C@H]1CCN(C(=O)Cc2ccc(I)cc2)[C@H](C[NH3+])C1 ZINC000564562463 650761602 /nfs/dbraw/zinc/76/16/02/650761602.db2.gz OXDSZGHHWNZJLP-KBPBESRZSA-N 1 0 388.249 1.798 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)c1cc(Br)c(F)cc1F ZINC000564643476 650763543 /nfs/dbraw/zinc/76/35/43/650763543.db2.gz BJASKHMGVQZGMY-QMMMGPOBSA-N 1 0 385.230 1.384 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]Cc2cccc(COCC(F)(F)F)c2)CC1 ZINC000564652279 650763864 /nfs/dbraw/zinc/76/38/64/650763864.db2.gz WVCDNFKCSLOBQA-UHFFFAOYSA-N 1 0 381.416 1.795 20 0 GDADRO CN1CC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1=O ZINC000564856885 650770134 /nfs/dbraw/zinc/77/01/34/650770134.db2.gz WQFKWAUPHMYUKV-GFCCVEGCSA-N 1 0 389.315 1.681 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000564788367 650767721 /nfs/dbraw/zinc/76/77/21/650767721.db2.gz GNUOSTDCMRYPJX-ZDUSSCGKSA-N 1 0 380.919 1.305 20 0 GDADRO C[C@@H]([NH3+])CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000564989328 650775337 /nfs/dbraw/zinc/77/53/37/650775337.db2.gz IGDKWXUDDMMNJR-SNVBAGLBSA-N 1 0 396.738 1.756 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)o1 ZINC000565118543 650782224 /nfs/dbraw/zinc/78/22/24/650782224.db2.gz PPQQADFAGORFAF-UHFFFAOYSA-N 1 0 376.500 1.562 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000565233779 650788358 /nfs/dbraw/zinc/78/83/58/650788358.db2.gz SQMVVRMCTOKYOO-SJKOYZFVSA-N 1 0 398.301 1.917 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000565255432 650789967 /nfs/dbraw/zinc/78/99/67/650789967.db2.gz VLOPTEKVINQVKU-UHFFFAOYSA-N 1 0 386.290 1.314 20 0 GDADRO O=C(c1scnc1C(F)(F)F)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000565213913 650784428 /nfs/dbraw/zinc/78/44/28/650784428.db2.gz GKDKEDHPNRLPPJ-SNVBAGLBSA-N 1 0 376.404 1.446 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000565220005 650784723 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CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=S)NCC[NH+](C)C)cc1 ZINC000007594090 644212237 /nfs/dbraw/zinc/21/22/37/644212237.db2.gz OXYSTWLIYZHKAO-CQSZACIVSA-N 1 0 386.587 1.804 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000567476698 650906635 /nfs/dbraw/zinc/90/66/35/650906635.db2.gz WJVMJQMLWNTLKX-GJZGRUSLSA-N 1 0 388.921 1.276 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)[NH+](C)C ZINC000033093409 644316523 /nfs/dbraw/zinc/31/65/23/644316523.db2.gz NPARRYPSUVAPKX-SNVBAGLBSA-N 1 0 392.319 1.379 20 0 GDADRO O=S1(=O)CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000037324869 644320233 /nfs/dbraw/zinc/32/02/33/644320233.db2.gz UINPFNSROJBSSG-LLVKDONJSA-N 1 0 376.272 1.887 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000037893412 644321342 /nfs/dbraw/zinc/32/13/42/644321342.db2.gz PHGHDRQZFWCYRV-AWEZNQCLSA-N 1 0 377.304 1.496 20 0 GDADRO CN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000567671054 650913964 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ZINC000069527189 644580116 /nfs/dbraw/zinc/58/01/16/644580116.db2.gz KKWADWODCIFBIS-LBPRGKRZSA-N 1 0 389.905 1.089 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000567882178 650926867 /nfs/dbraw/zinc/92/68/67/650926867.db2.gz JDFBAQQCHUWSJT-PWSUYJOCSA-N 1 0 379.404 1.240 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)ccc1Br ZINC000568072277 650936190 /nfs/dbraw/zinc/93/61/90/650936190.db2.gz ZILZSKIISQDIGA-UHFFFAOYSA-N 1 0 384.274 1.984 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1Cl ZINC000108297731 644618547 /nfs/dbraw/zinc/61/85/47/644618547.db2.gz QDTDGTVMFFBUTH-AWEZNQCLSA-N 1 0 385.917 1.804 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000108279052 644618610 /nfs/dbraw/zinc/61/86/10/644618610.db2.gz TZYATADBVHJBAX-JTQLQIEISA-N 1 0 381.470 1.110 20 0 GDADRO COc1cc(C[NH2+]CC[S@](=O)C(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000116920411 644649117 /nfs/dbraw/zinc/64/91/17/644649117.db2.gz UVMSTDYWDOADKY-XMMPIXPASA-N 1 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[NH3+]C1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000237860491 645088204 /nfs/dbraw/zinc/08/82/04/645088204.db2.gz KANCEUQTVSCRLT-UHFFFAOYSA-N 1 0 378.248 1.906 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000237996198 645088954 /nfs/dbraw/zinc/08/89/54/645088954.db2.gz JISLTUNMQYADOK-ZANVPECISA-N 1 0 380.242 1.289 20 0 GDADRO CC1(C)CC(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC(C)(C)[NH2+]1 ZINC000244375383 645091103 /nfs/dbraw/zinc/09/11/03/645091103.db2.gz YBHQDQWHHHIHBM-UHFFFAOYSA-N 1 0 384.571 1.607 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)NCCn2cc(Br)ccc2=O)C[N@@H+]1C1CC1 ZINC000568960919 650978419 /nfs/dbraw/zinc/97/84/19/650978419.db2.gz FGBFRPPULXGBDS-WCQYABFASA-N 1 0 383.290 1.535 20 0 GDADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000568988034 650979528 /nfs/dbraw/zinc/97/95/28/650979528.db2.gz VKLAJZSSGXNCRX-CQSZACIVSA-N 1 0 391.921 1.019 20 0 GDADRO OC[C@H](Cc1ccncc1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000569124152 650984749 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[NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(I)c1 ZINC000262759592 645137682 /nfs/dbraw/zinc/13/76/82/645137682.db2.gz QUJOWMJUAJQFRW-BXKDBHETSA-N 1 0 380.251 1.697 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1F ZINC000262798924 645139500 /nfs/dbraw/zinc/13/95/00/645139500.db2.gz UWHBOWSXFGTILT-MFKMUULPSA-N 1 0 379.479 1.006 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1Cl ZINC000275760520 645175092 /nfs/dbraw/zinc/17/50/92/645175092.db2.gz MPFAHNGLKJFWPD-NWDGAFQWSA-N 1 0 375.878 1.522 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000301456492 645236199 /nfs/dbraw/zinc/23/61/99/645236199.db2.gz WPTVPTWTDJWOFN-LLVKDONJSA-N 1 0 380.436 1.401 20 0 GDADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000301488730 645236254 /nfs/dbraw/zinc/23/62/54/645236254.db2.gz CQYXBNBKXWTZRR-UHFFFAOYSA-N 1 0 375.535 1.836 20 0 GDADRO CSC1(CNC(=O)c2sccc2S(=O)(=O)N(C)C)CC[NH+](C)CC1 ZINC000569400485 650997734 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1 0 375.441 1.742 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000331367452 645506491 /nfs/dbraw/zinc/50/64/91/645506491.db2.gz BHRBZQYEXPCCSD-ZDUSSCGKSA-N 1 0 396.289 1.314 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000331642830 645520802 /nfs/dbraw/zinc/52/08/02/645520802.db2.gz SFAMSKLVGUAOOF-GXFFZTMASA-N 1 0 386.315 1.679 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000331691184 645525052 /nfs/dbraw/zinc/52/50/52/645525052.db2.gz XCXZSIBOYNHSQW-RYUDHWBXSA-N 1 0 386.315 1.679 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@]3(CCC[NH2+]3)C2)s1 ZINC000333855827 645542780 /nfs/dbraw/zinc/54/27/80/645542780.db2.gz QXGOLCSXQJJQJL-RHSMWYFYSA-N 1 0 383.539 1.564 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)CC2 ZINC000570036617 651023022 /nfs/dbraw/zinc/02/30/22/651023022.db2.gz OGAHRGSFNMOHFW-ZDUSSCGKSA-N 1 0 394.313 1.840 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000368255893 645614547 /nfs/dbraw/zinc/61/45/47/645614547.db2.gz XCZAPLMMESHYSU-SGIREYDYSA-N 1 0 385.917 1.790 20 0 GDADRO COc1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1Br ZINC000570321460 651034892 /nfs/dbraw/zinc/03/48/92/651034892.db2.gz GDJDURSFKAQSQV-GFCCVEGCSA-N 1 0 394.273 1.904 20 0 GDADRO CN1CCN(C(=O)COc2ccc(Br)cc2Cl)[C@H](C[NH3+])C1 ZINC000570329547 651035335 /nfs/dbraw/zinc/03/53/35/651035335.db2.gz ARCQJLDXTXUAQQ-LLVKDONJSA-N 1 0 376.682 1.583 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC[C@H](C)[NH3+] ZINC000570332370 651035809 /nfs/dbraw/zinc/03/58/09/651035809.db2.gz OJNUYUZJVCTJOC-AAEUAGOBSA-N 1 0 377.507 1.079 20 0 GDADRO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000370865806 645709604 /nfs/dbraw/zinc/70/96/04/645709604.db2.gz ZMNQMHKENDHYDZ-IAGOWNOFSA-N 1 0 390.933 1.620 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(I)c[nH]1 ZINC000371667947 645752687 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C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415419724 645893090 /nfs/dbraw/zinc/89/30/90/645893090.db2.gz VHRJRXJXBMUPJZ-NSHDSACASA-N 1 0 394.273 1.545 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccccc1I ZINC000415418812 645893125 /nfs/dbraw/zinc/89/31/25/645893125.db2.gz YZEHZXWOHGCEJF-SECBINFHSA-N 1 0 375.210 1.201 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415421770 645893504 /nfs/dbraw/zinc/89/35/04/645893504.db2.gz VOPJJKUKENBXGA-LURJTMIESA-N 1 0 397.163 1.314 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c(C)cc1Br ZINC000415510896 645895090 /nfs/dbraw/zinc/89/50/90/645895090.db2.gz LJVSUJHIBDOYJG-QMMMGPOBSA-N 1 0 386.246 1.194 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000415510087 645895286 /nfs/dbraw/zinc/89/52/86/645895286.db2.gz JEFAOTPTDVAMRP-SNVBAGLBSA-N 1 0 384.267 1.888 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415509446 645895323 /nfs/dbraw/zinc/89/53/23/645895323.db2.gz HQSLZEXAPQKDHU-NSHDSACASA-N 1 0 394.273 1.343 20 0 GDADRO C[C@@H](C(=O)NCC1([NH+](C)C)CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000416292307 645900158 /nfs/dbraw/zinc/90/01/58/645900158.db2.gz QVWPRWFJRNTOIN-JTQLQIEISA-N 1 0 394.269 1.644 20 0 GDADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000416295625 645900900 /nfs/dbraw/zinc/90/09/00/645900900.db2.gz MQYCNMASICLSDK-NWDGAFQWSA-N 1 0 388.295 1.637 20 0 GDADRO CN1C(=O)C[C@@H]([NH2+]CCN2CCCS2(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570795882 651055756 /nfs/dbraw/zinc/05/57/56/651055756.db2.gz NTISKCYURCZQJI-GDBMZVCRSA-N 1 0 389.880 1.376 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)c1 ZINC000419070233 645911088 /nfs/dbraw/zinc/91/10/88/645911088.db2.gz OLDNHCHNMFRMDU-SMDDNHRTSA-N 1 0 398.301 1.603 20 0 GDADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000419178876 645913586 /nfs/dbraw/zinc/91/35/86/645913586.db2.gz CKFIBNPURMOVRR-GFCCVEGCSA-N 1 0 382.302 1.711 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)CCCCC1 ZINC000419397086 645915119 /nfs/dbraw/zinc/91/51/19/645915119.db2.gz DTOWAKIXUGDLFX-UHFFFAOYSA-N 1 0 389.283 1.661 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419400599 645916062 /nfs/dbraw/zinc/91/60/62/645916062.db2.gz LMONNRFVNGZBDZ-INIZCTEOSA-N 1 0 387.267 1.095 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419463338 645919336 /nfs/dbraw/zinc/91/93/36/645919336.db2.gz ORBMXBVBMCOZNZ-WFASDCNBSA-N 1 0 394.313 1.711 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCC1(c2ccccc2Br)CC1)C1CC1 ZINC000419464743 645919691 /nfs/dbraw/zinc/91/96/91/645919691.db2.gz RRGBGBAVXBKASX-CQSZACIVSA-N 1 0 380.286 1.450 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000419508754 645921300 /nfs/dbraw/zinc/92/13/00/645921300.db2.gz RNPPDSCRICRISR-LBPRGKRZSA-N 1 0 398.301 1.077 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)s1 ZINC000419516089 645921967 /nfs/dbraw/zinc/92/19/67/645921967.db2.gz GPKDLLDSAJUYJS-CHWSQXEVSA-N 1 0 389.543 1.138 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)CC[NH2+]1 ZINC000419519885 645922322 /nfs/dbraw/zinc/92/23/22/645922322.db2.gz GXKQSVRYUJQFFU-LBPRGKRZSA-N 1 0 382.302 1.663 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)Oc1ccc(Br)cc1 ZINC000419607480 645924566 /nfs/dbraw/zinc/92/45/66/645924566.db2.gz HDNJXLVBXSHRFD-UPJWGTAASA-N 1 0 398.301 1.541 20 0 GDADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419643090 645925772 /nfs/dbraw/zinc/92/57/72/645925772.db2.gz WRQGSUOBNUHRII-BYCMXARLSA-N 1 0 398.301 1.510 20 0 GDADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)C(=O)N(C)CC[NH3+] ZINC000419643470 645925878 /nfs/dbraw/zinc/92/58/78/645925878.db2.gz GUYWEUCXPXZWMD-RNCFNFMXSA-N 1 0 386.315 1.765 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419644557 645926351 /nfs/dbraw/zinc/92/63/51/645926351.db2.gz XNDLVLWPPOGDQT-HUBLWGQQSA-N 1 0 398.301 1.449 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)C1 ZINC000419647699 645926895 /nfs/dbraw/zinc/92/68/95/645926895.db2.gz ZSULXLFLOUXCFB-KCPJHIHWSA-N 1 0 398.301 1.462 20 0 GDADRO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000419710613 645927707 /nfs/dbraw/zinc/92/77/07/645927707.db2.gz LWHLGLHCJDWVIJ-OTYXRUKQSA-N 1 0 377.304 2.000 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000419866501 645932251 /nfs/dbraw/zinc/93/22/51/645932251.db2.gz KMLWHKSOTVFEHL-CYBMUJFWSA-N 1 0 397.317 1.038 20 0 GDADRO C[C@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000419866507 645932309 /nfs/dbraw/zinc/93/23/09/645932309.db2.gz KMLWHKSOTVFEHL-ZDUSSCGKSA-N 1 0 397.317 1.038 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420055909 645933774 /nfs/dbraw/zinc/93/37/74/645933774.db2.gz HAKVHZQEMPGDHL-CYBMUJFWSA-N 1 0 384.274 1.270 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000420069898 645934840 /nfs/dbraw/zinc/93/48/40/645934840.db2.gz WDLRFVFNILNHMH-IUODEOHRSA-N 1 0 386.279 1.827 20 0 GDADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC[NH2+]CCOC ZINC000420183871 645937640 /nfs/dbraw/zinc/93/76/40/645937640.db2.gz MMGOOMOILWBTPM-UHFFFAOYSA-N 1 0 386.290 1.150 20 0 GDADRO CN(CC[NH3+])CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000420380429 645942169 /nfs/dbraw/zinc/94/21/69/645942169.db2.gz ODBYCDPXSIQDEQ-UHFFFAOYSA-N 1 0 388.921 1.344 20 0 GDADRO C[NH2+]CCCN(C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000420385939 645942508 /nfs/dbraw/zinc/94/25/08/645942508.db2.gz HPIQSRKZHKKHLW-UHFFFAOYSA-N 1 0 399.333 1.696 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N(C)CC[NH3+])c1 ZINC000420390219 645942725 /nfs/dbraw/zinc/94/27/25/645942725.db2.gz ZATOXFMUDTVYJQ-LBPRGKRZSA-N 1 0 390.937 1.588 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420478641 645944721 /nfs/dbraw/zinc/94/47/21/645944721.db2.gz XOIXBNBLELUWSQ-CYBMUJFWSA-N 1 0 392.262 1.808 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000916331413 660191384 /nfs/dbraw/zinc/19/13/84/660191384.db2.gz NBMGLLUMSFAZOZ-CYBMUJFWSA-N 1 0 386.294 1.664 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000421295707 646001675 /nfs/dbraw/zinc/00/16/75/646001675.db2.gz IPMHVRZVDXVRCG-LLVKDONJSA-N 1 0 387.889 1.235 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000916574660 660195557 /nfs/dbraw/zinc/19/55/57/660195557.db2.gz AHIDOSIRUBCBMV-HONMWMINSA-N 1 0 376.425 1.239 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3cccc(Br)c3)[C@@H]2C1 ZINC000422479376 646069972 /nfs/dbraw/zinc/06/99/72/646069972.db2.gz RRMNENRXFGNYIH-GOEBONIOSA-N 1 0 394.313 1.660 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)CC[NH3+])cc1Br ZINC000422549912 646077432 /nfs/dbraw/zinc/07/74/32/646077432.db2.gz IRCXKYKDYBTAQA-UHFFFAOYSA-N 1 0 378.292 1.813 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422626311 646084046 /nfs/dbraw/zinc/08/40/46/646084046.db2.gz DRSAFAGNRXIMJE-UHFFFAOYSA-N 1 0 386.290 1.990 20 0 GDADRO CC(C)(CC[NH3+])NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000422624403 646084102 /nfs/dbraw/zinc/08/41/02/646084102.db2.gz ZIALJUDNLACOKT-CYBMUJFWSA-N 1 0 383.290 1.981 20 0 GDADRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1C[NH3+] ZINC000422633850 646085687 /nfs/dbraw/zinc/08/56/87/646085687.db2.gz IVHBVTURRJXLMO-FRRDWIJNSA-N 1 0 387.933 1.987 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)c1cn(CCC[NH3+])nn1 ZINC000422928255 646099913 /nfs/dbraw/zinc/09/99/13/646099913.db2.gz JTECCCSUXHOAJJ-UHFFFAOYSA-N 1 0 382.262 1.670 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC1(n2cc(Br)cn2)CC1 ZINC000916842588 660202781 /nfs/dbraw/zinc/20/27/81/660202781.db2.gz OJMRYLCOPQGKRJ-ZIAGYGMSSA-N 1 0 398.305 1.297 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000423001115 646107414 /nfs/dbraw/zinc/10/74/14/646107414.db2.gz WQJKCHPKXKERNK-OCCSQVGLSA-N 1 0 382.302 1.851 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CCO1 ZINC000423012846 646108813 /nfs/dbraw/zinc/10/88/13/646108813.db2.gz DSUYQSAHDGHTKZ-ZDUSSCGKSA-N 1 0 379.507 1.525 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000423020649 646108916 /nfs/dbraw/zinc/10/89/16/646108916.db2.gz CJYKHIXNLNDYRP-UHFFFAOYSA-N 1 0 386.949 1.489 20 0 GDADRO [NH3+]CCCCn1cc(C(=O)NCCc2ccc(F)c(Br)c2)nn1 ZINC000423060637 646110190 /nfs/dbraw/zinc/11/01/90/646110190.db2.gz ITGXOIQCBSMBLF-UHFFFAOYSA-N 1 0 384.253 1.891 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000423069330 646110225 /nfs/dbraw/zinc/11/02/25/646110225.db2.gz DRLRYGDLVCOTDL-UHFFFAOYSA-N 1 0 386.265 1.757 20 0 GDADRO COC[C@]1(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC000423073937 646111632 /nfs/dbraw/zinc/11/16/32/646111632.db2.gz SXHWTVPHTNERII-RDJZCZTQSA-N 1 0 383.286 1.975 20 0 GDADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000423075174 646111753 /nfs/dbraw/zinc/11/17/53/646111753.db2.gz NZNVWRDQNFOCIA-FVQBIDKESA-N 1 0 385.302 1.483 20 0 GDADRO COC[C@@]1(C(=O)NCCc2ccc(I)s2)CC[NH2+]C1 ZINC000423129532 646115891 /nfs/dbraw/zinc/11/58/91/646115891.db2.gz FEJWSWCYYVLBDY-CYBMUJFWSA-N 1 0 394.278 1.638 20 0 GDADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423159224 646117161 /nfs/dbraw/zinc/11/71/61/646117161.db2.gz FNVVUDRUEZTZJF-CYBMUJFWSA-N 1 0 388.295 1.917 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CCO1 ZINC000423172917 646117226 /nfs/dbraw/zinc/11/72/26/646117226.db2.gz VYWKEIRRPRWUCR-HUUCEWRRSA-N 1 0 396.285 1.299 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000423183097 646118727 /nfs/dbraw/zinc/11/87/27/646118727.db2.gz RDHRICJLIHJZHQ-DOMZBBRYSA-N 1 0 396.285 1.156 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000423188959 646118750 /nfs/dbraw/zinc/11/87/50/646118750.db2.gz ZYRHVBIUVVMMRB-OAHLLOKOSA-N 1 0 398.301 1.417 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423234715 646119891 /nfs/dbraw/zinc/11/98/91/646119891.db2.gz FVWVSBJQMJEYQE-IAQYHMDHSA-N 1 0 386.279 1.701 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423236675 646120572 /nfs/dbraw/zinc/12/05/72/646120572.db2.gz SCSYMDPULMKKSO-AAEUAGOBSA-N 1 0 398.276 1.615 20 0 GDADRO C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423390393 646124664 /nfs/dbraw/zinc/12/46/64/646124664.db2.gz VXBPYMMUABGTNH-SCVCMEIPSA-N 1 0 376.320 1.888 20 0 GDADRO CN(Cc1cc(Br)ccc1Cl)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423455754 646126063 /nfs/dbraw/zinc/12/60/63/646126063.db2.gz MWPBNQSLBJEBQM-JTQLQIEISA-N 1 0 388.693 1.868 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)s1 ZINC000916663394 660198323 /nfs/dbraw/zinc/19/83/23/660198323.db2.gz DLTQQYMFWVDZHS-QWHCGFSZSA-N 1 0 387.527 1.219 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423529980 646128243 /nfs/dbraw/zinc/12/82/43/646128243.db2.gz OWRZKUPXUDOCAR-DGCLKSJQSA-N 1 0 386.279 1.793 20 0 GDADRO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423544993 646128975 /nfs/dbraw/zinc/12/89/75/646128975.db2.gz DHTLKMPLESJUAD-ZYHUDNBSSA-N 1 0 376.320 1.889 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000423535702 646129003 /nfs/dbraw/zinc/12/90/03/646129003.db2.gz YBNJCLPXHYNBOX-YPMHNXCESA-N 1 0 386.279 1.793 20 0 GDADRO C[C@@H](N[C@H]1CCCC[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423544992 646129141 /nfs/dbraw/zinc/12/91/41/646129141.db2.gz DHTLKMPLESJUAD-PWSUYJOCSA-N 1 0 376.320 1.889 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423565469 646130883 /nfs/dbraw/zinc/13/08/83/646130883.db2.gz BMHXTKCHOFHQAT-IUODEOHRSA-N 1 0 398.276 1.757 20 0 GDADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423585622 646133975 /nfs/dbraw/zinc/13/39/75/646133975.db2.gz AKNQZMALOJPRNM-UHFFFAOYSA-N 1 0 382.302 1.995 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000423587570 646134426 /nfs/dbraw/zinc/13/44/26/646134426.db2.gz GACCXTKXNCYXPJ-CQSZACIVSA-N 1 0 383.290 1.576 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000423601521 646135703 /nfs/dbraw/zinc/13/57/03/646135703.db2.gz ZPSIFISHQUPHPQ-JSGCOSHPSA-N 1 0 381.274 1.328 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000423598109 646135873 /nfs/dbraw/zinc/13/58/73/646135873.db2.gz VQNPNOYVDFJDND-CQSZACIVSA-N 1 0 398.305 1.020 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000423606911 646136363 /nfs/dbraw/zinc/13/63/63/646136363.db2.gz LWDSYHWKZQFUPD-IUODEOHRSA-N 1 0 396.285 1.169 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000423623484 646137877 /nfs/dbraw/zinc/13/78/77/646137877.db2.gz ACHFQTMPWJVYJJ-STQMWFEESA-N 1 0 382.302 1.912 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000423622678 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379.251 1.411 20 0 GDADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H](CCSC)NS(=O)(=O)CC ZINC000423979525 646148395 /nfs/dbraw/zinc/14/83/95/646148395.db2.gz PEZXTUQNJCPRBA-HOTGVXAUSA-N 1 0 387.571 1.426 20 0 GDADRO C[C@@H]1CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[C@@]1(C)C[NH3+] ZINC000423983567 646149014 /nfs/dbraw/zinc/14/90/14/646149014.db2.gz MYMLFRNSYAUROM-BMLIUANNSA-N 1 0 394.269 1.488 20 0 GDADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)Cc3cccc(Br)c3)C2)nn1 ZINC000423994744 646151150 /nfs/dbraw/zinc/15/11/50/646151150.db2.gz CSZVXATXOAMGMJ-OAHLLOKOSA-N 1 0 378.274 1.906 20 0 GDADRO C[C@@H]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[C@H]1C[NH3+] ZINC000424012960 646152685 /nfs/dbraw/zinc/15/26/85/646152685.db2.gz KEFDIGVMUVJPBT-GHMZBOCLSA-N 1 0 394.269 1.488 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424020119 646153169 /nfs/dbraw/zinc/15/31/69/646153169.db2.gz LNJCTGZJFLUXNV-BXUZGUMPSA-N 1 0 384.274 1.144 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCCO1 ZINC000424016456 646153224 /nfs/dbraw/zinc/15/32/24/646153224.db2.gz DWGUDJUZLPSDBD-STQMWFEESA-N 1 0 396.285 1.378 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1c1ccc(Br)cc1 ZINC000424217436 646165073 /nfs/dbraw/zinc/16/50/73/646165073.db2.gz LLOSRSSMSOMJHF-PXMRGAAZSA-N 1 0 393.281 1.916 20 0 GDADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cnccc2C(F)(F)F)CCCO1 ZINC000432324012 646180205 /nfs/dbraw/zinc/18/02/05/646180205.db2.gz GWYUWQIFUMQOIO-GFCCVEGCSA-N 1 0 381.420 1.880 20 0 GDADRO CC(C)CS(=O)(=O)CC(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435557563 646201126 /nfs/dbraw/zinc/20/11/26/646201126.db2.gz JFGLJDASMUEUKH-CQSZACIVSA-N 1 0 385.555 1.685 20 0 GDADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000439233446 646230206 /nfs/dbraw/zinc/23/02/06/646230206.db2.gz DOBCLWOFGXJYGM-INIZCTEOSA-N 1 0 375.535 1.313 20 0 GDADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000439440413 646232350 /nfs/dbraw/zinc/23/23/50/646232350.db2.gz PYTIWABMLYHSMA-GJZGRUSLSA-N 1 0 389.265 1.344 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439444688 646233092 /nfs/dbraw/zinc/23/30/92/646233092.db2.gz OTCLKEJLTIAOFR-ZFWWWQNUSA-N 1 0 389.265 1.881 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000440074028 646238867 /nfs/dbraw/zinc/23/88/67/646238867.db2.gz FMIHHRGGKNTCSB-CYBMUJFWSA-N 1 0 389.543 1.136 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000440740857 646253972 /nfs/dbraw/zinc/25/39/72/646253972.db2.gz ORWFISPKOMDRAO-UHFFFAOYSA-N 1 0 381.267 1.956 20 0 GDADRO CO[C@H](CS(=O)(=O)N1CCC(CO)([NH2+]C(C)C)CC1)C1CCCCC1 ZINC000917545437 660215525 /nfs/dbraw/zinc/21/55/25/660215525.db2.gz UHAXAXKDBIZVCC-QGZVFWFLSA-N 1 0 376.563 1.736 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903093217 659294430 /nfs/dbraw/zinc/29/44/30/659294430.db2.gz QIGBIOUXHDSNTM-GXTWGEPZSA-N 1 0 379.448 1.877 20 0 GDADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 ZINC000903487282 659317389 /nfs/dbraw/zinc/31/73/89/659317389.db2.gz VMKLZUDUKPTSBE-NSHDSACASA-N 1 0 381.420 1.265 20 0 GDADRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc4c(c3)CS(=O)(=O)C4)C[C@]2(C)C1 ZINC000918368826 660234656 /nfs/dbraw/zinc/23/46/56/660234656.db2.gz OAGADTMCBYKHCH-CALCHBBNSA-N 1 0 384.523 1.077 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000918947706 660243471 /nfs/dbraw/zinc/24/34/71/660243471.db2.gz QLXBHDWPRNAILC-AWEZNQCLSA-N 1 0 377.304 1.526 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)ccc1Cl ZINC000918956063 660243799 /nfs/dbraw/zinc/24/37/99/660243799.db2.gz JEOIVRUWPRZNGK-MRXNPFEDSA-N 1 0 390.889 1.204 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000442739956 647160850 /nfs/dbraw/zinc/16/08/50/647160850.db2.gz GLMOMKNVZBEMQS-UHFFFAOYSA-N 1 0 381.420 1.614 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000442781345 647163702 /nfs/dbraw/zinc/16/37/02/647163702.db2.gz PFRJJXUHSLLELX-NEPJUHHUSA-N 1 0 383.290 1.173 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442964946 647166412 /nfs/dbraw/zinc/16/64/12/647166412.db2.gz ISHMLQCXZMTUNI-CQSZACIVSA-N 1 0 391.896 1.748 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000442973990 647166737 /nfs/dbraw/zinc/16/67/37/647166737.db2.gz GIIACHJAXLQIPQ-TXEJJXNPSA-N 1 0 375.441 1.232 20 0 GDADRO COC(=O)c1nscc1S(=O)(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000443078874 647178909 /nfs/dbraw/zinc/17/89/09/647178909.db2.gz IFHZWKCOPRDADD-GFCCVEGCSA-N 1 0 383.495 1.729 20 0 GDADRO CSc1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)cc1 ZINC000443278000 647197166 /nfs/dbraw/zinc/19/71/66/647197166.db2.gz XICDWOZTPDAIOR-UHFFFAOYSA-N 1 0 387.571 1.077 20 0 GDADRO C[C@H](O)C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H](C)CO ZINC000443332705 647201061 /nfs/dbraw/zinc/20/10/61/647201061.db2.gz OKZOOMNUDBUWLT-COPLHBTASA-N 1 0 380.254 1.392 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)NCC[C@H]1CCC[NH2+]1 ZINC000444269609 647247540 /nfs/dbraw/zinc/24/75/40/647247540.db2.gz VFWDUKXPHVMBNB-GFCCVEGCSA-N 1 0 382.258 1.433 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccc(Cl)nc3)C2)[C@@H]1C(C)C ZINC000920296548 660269278 /nfs/dbraw/zinc/26/92/78/660269278.db2.gz UHCAYZIIHGUWCO-JHNDHUHGSA-N 1 0 387.933 1.883 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cnc(Cl)n3C)C2)[C@@H]1C(C)C ZINC000920302872 660269498 /nfs/dbraw/zinc/26/94/98/660269498.db2.gz JCVPSNLXOBJLOX-HLSYRSCKSA-N 1 0 390.937 1.222 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cn(C)c(Cl)n3)C2)[C@H]1C(C)C ZINC000920303816 660269875 /nfs/dbraw/zinc/26/98/75/660269875.db2.gz RUXLDDYKSWZHAX-NCZKRNLISA-N 1 0 390.937 1.222 20 0 GDADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)C[C@H]3CCC3(F)F)C2)[C@@H]1C(C)C ZINC000920309237 660270091 /nfs/dbraw/zinc/27/00/91/660270091.db2.gz IRAGJHIWAJHQBX-SUJAAXHWSA-N 1 0 380.501 1.821 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2cnc(Br)cn2)CC1 ZINC000920459586 660271921 /nfs/dbraw/zinc/27/19/21/660271921.db2.gz DJBMADWQNDKZMU-ZDUSSCGKSA-N 1 0 399.337 1.312 20 0 GDADRO C[C@H](CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000920458585 660271950 /nfs/dbraw/zinc/27/19/50/660271950.db2.gz HTOKMARCJBSFOE-CQSZACIVSA-N 1 0 387.933 1.999 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000453736333 647331726 /nfs/dbraw/zinc/33/17/26/647331726.db2.gz QGDXXBAGXJBTDL-LLVKDONJSA-N 1 0 399.289 1.006 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000920722718 660274817 /nfs/dbraw/zinc/27/48/17/660274817.db2.gz HUVXTHDGQMSCDI-CYBMUJFWSA-N 1 0 387.443 1.320 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000453915386 647345327 /nfs/dbraw/zinc/34/53/27/647345327.db2.gz JUBMHMLWHZLUPM-IINYFYTJSA-N 1 0 382.258 1.559 20 0 GDADRO C[C@H]1C[C@H](NC(=O)NCc2nn(C)cc2I)CC[N@@H+]1C ZINC000454637875 647358940 /nfs/dbraw/zinc/35/89/40/647358940.db2.gz GRGMTMKEINETPI-VHSXEESVSA-N 1 0 391.257 1.307 20 0 GDADRO CSC1(CNC(=O)N2CCCC[C@@H]2CS(C)(=O)=O)CC[NH+](C)CC1 ZINC000454976406 647367334 /nfs/dbraw/zinc/36/73/34/647367334.db2.gz RBNALTSVMAUJKY-CQSZACIVSA-N 1 0 377.576 1.423 20 0 GDADRO C[C@@H](CNC(=O)N(C)Cc1ncc(Br)cn1)C[NH+]1CCN(C)CC1 ZINC000920449553 660271475 /nfs/dbraw/zinc/27/14/75/660271475.db2.gz AUWBOOHEGWTBAW-ZDUSSCGKSA-N 1 0 399.337 1.264 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000455260480 647374413 /nfs/dbraw/zinc/37/44/13/647374413.db2.gz UUAASHUIRHJCPF-UHFFFAOYSA-N 1 0 390.937 1.749 20 0 GDADRO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C(F)(F)F ZINC000455435818 647378794 /nfs/dbraw/zinc/37/87/94/647378794.db2.gz XWVFZALAWLGUPC-LLVKDONJSA-N 1 0 390.472 1.228 20 0 GDADRO C[N@H+](CCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C1CC1 ZINC000457204038 647415295 /nfs/dbraw/zinc/41/52/95/647415295.db2.gz PKLSDAVXBBQSFR-OAHLLOKOSA-N 1 0 385.555 1.892 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000458986895 647453749 /nfs/dbraw/zinc/45/37/49/647453749.db2.gz SIUGRFFGQIZRBV-OAGGEKHMSA-N 1 0 376.567 1.514 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)NCc1nn(C)cc1I ZINC000459105795 647458200 /nfs/dbraw/zinc/45/82/00/647458200.db2.gz PBEWVFIELNIVKL-UHFFFAOYSA-N 1 0 391.257 1.262 20 0 GDADRO O[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)Cn1ccnn1 ZINC000459686939 647463811 /nfs/dbraw/zinc/46/38/11/647463811.db2.gz BGXDQDZFUVHOHA-LBPRGKRZSA-N 1 0 383.246 1.353 20 0 GDADRO O[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)Cn1ccnn1 ZINC000459695473 647464485 /nfs/dbraw/zinc/46/44/85/647464485.db2.gz KTIDTSFQQLXCPF-ZDUSSCGKSA-N 1 0 377.246 1.581 20 0 GDADRO O[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)Cn1ccnn1 ZINC000459701047 647464877 /nfs/dbraw/zinc/46/48/77/647464877.db2.gz QCTXHNUUVPADHT-NSHDSACASA-N 1 0 377.189 1.793 20 0 GDADRO CCCN(CC[NH+](CC)CC)C(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000461739697 647500469 /nfs/dbraw/zinc/50/04/69/647500469.db2.gz YKWRMRGUFONGPY-AWEZNQCLSA-N 1 0 375.560 1.995 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000461901773 647503288 /nfs/dbraw/zinc/50/32/88/647503288.db2.gz OWYCOAOIEGYDKY-INIZCTEOSA-N 1 0 389.543 1.075 20 0 GDADRO C[NH+]1CCC(CCO)(NC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000463381839 647558702 /nfs/dbraw/zinc/55/87/02/647558702.db2.gz PUOOAKAYYPJZLQ-UHFFFAOYSA-N 1 0 382.262 1.068 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)CCCN1CCOCC1 ZINC000463867369 647568083 /nfs/dbraw/zinc/56/80/83/647568083.db2.gz BSSTXUWUIICECR-UHFFFAOYSA-N 1 0 375.560 1.164 20 0 GDADRO CN(C(=O)c1ccc(-n2cc(Br)cn2)nn1)[C@H]1CCC[N@H+](C)C1 ZINC000464061145 647570722 /nfs/dbraw/zinc/57/07/22/647570722.db2.gz ZSWSQCRNRUCDPM-LBPRGKRZSA-N 1 0 379.262 1.591 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)C1 ZINC000464875395 647590068 /nfs/dbraw/zinc/59/00/68/647590068.db2.gz LFLIEFSNIHQQLB-GFCCVEGCSA-N 1 0 386.290 1.914 20 0 GDADRO CC[NH+](CC)CCOC1CCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000465268157 647594789 /nfs/dbraw/zinc/59/47/89/647594789.db2.gz RNCJJNKWDZXOIA-UHFFFAOYSA-N 1 0 389.543 1.359 20 0 GDADRO CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465923380 647605575 /nfs/dbraw/zinc/60/55/75/647605575.db2.gz LLGQBOUVADVPPN-HNNXBMFYSA-N 1 0 375.535 1.096 20 0 GDADRO O=C1CC2(CN1)CC[NH+](C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000466931414 647623573 /nfs/dbraw/zinc/62/35/73/647623573.db2.gz UXBLSLIGZPQFRA-CQSZACIVSA-N 1 0 383.286 1.791 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1Br ZINC000467157942 647634740 /nfs/dbraw/zinc/63/47/40/647634740.db2.gz KDJOQNQWMLJAAW-UHFFFAOYSA-N 1 0 397.317 1.613 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000467246135 647640026 /nfs/dbraw/zinc/64/00/26/647640026.db2.gz ZOMNUUXNZHEDKC-CQSZACIVSA-N 1 0 387.571 1.928 20 0 GDADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000467482200 647644477 /nfs/dbraw/zinc/64/44/77/647644477.db2.gz IUWPZOJNTTZIAX-NSHDSACASA-N 1 0 388.295 1.685 20 0 GDADRO C[NH+](C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccccc1F ZINC000467503656 647645405 /nfs/dbraw/zinc/64/54/05/647645405.db2.gz PBYMHXHACJHYHN-OAHLLOKOSA-N 1 0 392.518 1.096 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000469258432 647702616 /nfs/dbraw/zinc/70/26/16/647702616.db2.gz JBBLUCJUHYUHDL-LBPRGKRZSA-N 1 0 380.436 1.405 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cnc3ccc(Br)cn23)C1 ZINC000470001500 647719126 /nfs/dbraw/zinc/71/91/26/647719126.db2.gz XFKQTZSNNJEEGM-LBPRGKRZSA-N 1 0 380.290 1.384 20 0 GDADRO C[C@H](C[NH3+])NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000470450148 647726776 /nfs/dbraw/zinc/72/67/76/647726776.db2.gz UPWDOXSEMZSERJ-GFCCVEGCSA-N 1 0 379.507 1.572 20 0 GDADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000470462710 647726974 /nfs/dbraw/zinc/72/69/74/647726974.db2.gz ZHKWOWNTIAMROR-HNNXBMFYSA-N 1 0 397.317 1.119 20 0 GDADRO CC(C)[NH+](CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C(C)C ZINC000470752986 647731731 /nfs/dbraw/zinc/73/17/31/647731731.db2.gz CJWZTJJPZWUKPQ-UHFFFAOYSA-N 1 0 386.909 1.917 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCCOCC[NH+](C)C)c1 ZINC000471642027 647749789 /nfs/dbraw/zinc/74/97/89/647749789.db2.gz IJEOSQIYUAWHDI-UHFFFAOYSA-N 1 0 394.335 1.372 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C[NH+](C)C ZINC000921631363 660316473 /nfs/dbraw/zinc/31/64/73/660316473.db2.gz ARMAEMJBMQCIRI-SECBINFHSA-N 1 0 389.827 1.999 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000476596789 647783444 /nfs/dbraw/zinc/78/34/44/647783444.db2.gz MCWHDFMCEZSPSA-LBPRGKRZSA-N 1 0 388.299 1.477 20 0 GDADRO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000476789287 647786794 /nfs/dbraw/zinc/78/67/94/647786794.db2.gz LFOZXWPAKCFESF-HOCLYGCPSA-N 1 0 387.571 1.650 20 0 GDADRO CCO[C@H](CNS(=O)(=O)c1cc(Cl)c(OC)cc1OC)C[NH+](C)C ZINC000921635596 660317567 /nfs/dbraw/zinc/31/75/67/660317567.db2.gz YNCREWCSUKIPCV-LLVKDONJSA-N 1 0 380.894 1.602 20 0 GDADRO CCO[C@H](CNS(=O)(=O)Cc1ccc(F)cc1Br)C[NH+](C)C ZINC000921637495 660317961 /nfs/dbraw/zinc/31/79/61/660317961.db2.gz UXTRGQUPTYYKJC-CYBMUJFWSA-N 1 0 397.310 1.974 20 0 GDADRO CCO[C@@H](CNS(=O)(=O)c1cc(C(=O)OC)cc(F)c1C)C[NH+](C)C ZINC000921643922 660318394 /nfs/dbraw/zinc/31/83/94/660318394.db2.gz NXZFPNIWZMSRCY-ZDUSSCGKSA-N 1 0 376.450 1.166 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)NCc2cnc(Br)cn2)CC1 ZINC000921668890 660321269 /nfs/dbraw/zinc/32/12/69/660321269.db2.gz ZDJAGOQSVXONEW-UHFFFAOYSA-N 1 0 385.310 1.064 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000479354600 647829091 /nfs/dbraw/zinc/82/90/91/647829091.db2.gz CBQNFUPUTCCLNJ-CQSZACIVSA-N 1 0 391.559 1.273 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000479956266 647839038 /nfs/dbraw/zinc/83/90/38/647839038.db2.gz YNVZWISNLDVDTM-BXUZGUMPSA-N 1 0 398.301 1.845 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000484994754 647922192 /nfs/dbraw/zinc/92/21/92/647922192.db2.gz KLSCVQRUZLFFDK-VXGBXAGGSA-N 1 0 388.921 1.198 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000485435762 647925973 /nfs/dbraw/zinc/92/59/73/647925973.db2.gz IWOSUQSRTRMTOW-CZUORRHYSA-N 1 0 385.917 1.371 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000485702988 647926848 /nfs/dbraw/zinc/92/68/48/647926848.db2.gz RZZAGPQWVMJEHT-UHFFFAOYSA-N 1 0 393.285 1.680 20 0 GDADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000487435421 647952834 /nfs/dbraw/zinc/95/28/34/647952834.db2.gz WNSRUMKLPSVLGI-WDEREUQCSA-N 1 0 377.436 1.793 20 0 GDADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCOc1ccc(I)cc1 ZINC000488585263 647962996 /nfs/dbraw/zinc/96/29/96/647962996.db2.gz VSWQKMYZEVJELK-RISCZKNCSA-N 1 0 388.249 1.984 20 0 GDADRO COC(=O)C1(CS(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)CCCCC1 ZINC000489674709 647979256 /nfs/dbraw/zinc/97/92/56/647979256.db2.gz ORKOVRBJRQZLBC-UONOGXRCSA-N 1 0 378.560 1.417 20 0 GDADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000490036897 647984395 /nfs/dbraw/zinc/98/43/95/647984395.db2.gz ZVXBUQJQMCEYIQ-AWEZNQCLSA-N 1 0 377.432 1.682 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)Oc1ccccc1Br ZINC000490824725 647990289 /nfs/dbraw/zinc/99/02/89/647990289.db2.gz VXRMFBUSHVVVRO-HIFRSBDPSA-N 1 0 382.302 1.723 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(Br)c1 ZINC000496084611 648016637 /nfs/dbraw/zinc/01/66/37/648016637.db2.gz AQMMMFQGJMASBE-ABAIWWIYSA-N 1 0 396.285 1.949 20 0 GDADRO CN(C(=O)C(=O)NCc1ccsc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000497342134 648024898 /nfs/dbraw/zinc/02/48/98/648024898.db2.gz DORPDZZSYNLAHZ-GFCCVEGCSA-N 1 0 386.315 1.822 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)s1 ZINC000497360229 648027566 /nfs/dbraw/zinc/02/75/66/648027566.db2.gz CGKYHFCKJZENJE-CQSZACIVSA-N 1 0 375.560 1.715 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)N1CCC(CNS(C)(=O)=O)CC1)C(C)(C)C ZINC000497550645 648032157 /nfs/dbraw/zinc/03/21/57/648032157.db2.gz SQGHIOXSNCCWRO-OAHLLOKOSA-N 1 0 376.567 1.324 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000497717660 648035734 /nfs/dbraw/zinc/03/57/34/648035734.db2.gz TUKJRTPMTQWVJI-OAHLLOKOSA-N 1 0 388.917 1.266 20 0 GDADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H]([NH3+])CC(F)F ZINC000498195688 648050346 /nfs/dbraw/zinc/05/03/46/648050346.db2.gz LXEOYIFOPNXHLP-SSDOTTSWSA-N 1 0 375.319 1.998 20 0 GDADRO [NH3+][C@H](CC(F)F)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000498218894 648052181 /nfs/dbraw/zinc/05/21/81/648052181.db2.gz YXXZVPKMGJDKMF-CYBMUJFWSA-N 1 0 379.404 1.078 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000498440532 648058211 /nfs/dbraw/zinc/05/82/11/648058211.db2.gz AASKYLNZLPTVEP-LLVKDONJSA-N 1 0 382.258 1.749 20 0 GDADRO C[NH+](C)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1Cl ZINC000499110682 648076127 /nfs/dbraw/zinc/07/61/27/648076127.db2.gz OOXDMKYOKVUFLE-ZDUSSCGKSA-N 1 0 394.946 1.470 20 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/nfs/dbraw/zinc/25/42/63/648254263.db2.gz JAEMHZHEMUKNRP-UHFFFAOYSA-N 1 0 386.233 1.977 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c1OC ZINC000509463374 648288959 /nfs/dbraw/zinc/28/89/59/648288959.db2.gz LAQOKRSAWXMMSM-LLVKDONJSA-N 1 0 389.905 1.280 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)ccc1C ZINC000510033776 648313602 /nfs/dbraw/zinc/31/36/02/648313602.db2.gz JGPIPOISGCXGQA-HOTGVXAUSA-N 1 0 386.539 1.838 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000510627056 648333998 /nfs/dbraw/zinc/33/39/98/648333998.db2.gz FSXDERNTCMZTBS-LBPRGKRZSA-N 1 0 377.304 1.828 20 0 GDADRO C[C@H]1CCC[N@H+](CCNC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000511157358 648356799 /nfs/dbraw/zinc/35/67/99/648356799.db2.gz BYBBKGOOQWZVEX-AWEZNQCLSA-N 1 0 387.933 1.857 20 0 GDADRO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000511226553 648360326 /nfs/dbraw/zinc/36/03/26/648360326.db2.gz BDKFHDBDNRZOLV-MRXNPFEDSA-N 1 0 376.567 1.564 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCn2cc(Br)cn2)cc1 ZINC000511417226 648376484 /nfs/dbraw/zinc/37/64/84/648376484.db2.gz ZSSYKFJZKNBFTC-UHFFFAOYSA-N 1 0 387.303 1.686 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CSC[C@@H]2C)c1 ZINC000512147779 648398039 /nfs/dbraw/zinc/39/80/39/648398039.db2.gz LXTNCFDUUKUXRZ-XJKSGUPXSA-N 1 0 385.555 1.997 20 0 GDADRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000512166220 648398363 /nfs/dbraw/zinc/39/83/63/648398363.db2.gz JIAPBZXUWJOHLY-ZWNOBZJWSA-N 1 0 386.315 1.845 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000512161050 648398416 /nfs/dbraw/zinc/39/84/16/648398416.db2.gz CONTYHMCGSZQOX-UONOGXRCSA-N 1 0 391.580 1.985 20 0 GDADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000512202418 648399193 /nfs/dbraw/zinc/39/91/93/648399193.db2.gz KEFUKYMVDTVVDZ-DOMZBBRYSA-N 1 0 388.295 1.730 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000512266075 648400828 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CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](CO)c2cccc(Br)c2)C1 ZINC000514228550 648451163 /nfs/dbraw/zinc/45/11/63/648451163.db2.gz GSCJJZXCQOPQGT-RISCZKNCSA-N 1 0 377.304 1.354 20 0 GDADRO O=C(NCCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000514662220 648458208 /nfs/dbraw/zinc/45/82/08/648458208.db2.gz XITPRSKMWDXSBF-UONOGXRCSA-N 1 0 395.301 1.430 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1 ZINC000514923913 648471481 /nfs/dbraw/zinc/47/14/81/648471481.db2.gz CINPBQOZPPBRKY-UHFFFAOYSA-N 1 0 386.543 1.858 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000515054134 648477760 /nfs/dbraw/zinc/47/77/60/648477760.db2.gz FWHYBFKISWPHBD-ISTVAULSSA-N 1 0 394.269 1.548 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)C1 ZINC000515072228 648479453 /nfs/dbraw/zinc/47/94/53/648479453.db2.gz YQXSGFKHMNVBRL-BLLLJJGKSA-N 1 0 380.286 1.790 20 0 GDADRO OCCCN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000515383341 648493635 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COCC(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000516762200 648534573 /nfs/dbraw/zinc/53/45/73/648534573.db2.gz YGGGFXGUSMZOCT-AWEZNQCLSA-N 1 0 391.295 1.960 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000516803140 648536776 /nfs/dbraw/zinc/53/67/76/648536776.db2.gz IWDJGKAOYQLPCW-CQSZACIVSA-N 1 0 385.486 1.828 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCNC(=O)c3ccc(Br)cc3)C[C@@H]21 ZINC000516909054 648542543 /nfs/dbraw/zinc/54/25/43/648542543.db2.gz OEKJRQGHHTVPAX-HIFRSBDPSA-N 1 0 380.286 1.732 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000516927147 648543950 /nfs/dbraw/zinc/54/39/50/648543950.db2.gz ZDXWCXSFAFNRGS-RKDXNWHRSA-N 1 0 386.246 1.416 20 0 GDADRO Cc1c(Br)cc(C(=O)NCCCC[NH+]2CCN(C)CC2)c(=O)n1C ZINC000516947891 648546171 /nfs/dbraw/zinc/54/61/71/648546171.db2.gz YBBBBLXBPGCZDW-UHFFFAOYSA-N 1 0 399.333 1.214 20 0 GDADRO C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)[C@@H](C)[C@H]1[NH3+] ZINC000517075483 648554844 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C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C1 ZINC000518924210 648615282 /nfs/dbraw/zinc/61/52/82/648615282.db2.gz UYNFZJGEEAURSF-VIFPVBQESA-N 1 0 393.278 1.673 20 0 GDADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000518974134 648616383 /nfs/dbraw/zinc/61/63/83/648616383.db2.gz SQIBOVMFICJDGW-INIZCTEOSA-N 1 0 375.535 1.505 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(Cc3nc(-c4ccc(Br)cc4)c[nH]3)CCN2C1=O ZINC000519181617 648624573 /nfs/dbraw/zinc/62/45/73/648624573.db2.gz JBFZWOHVLVYABE-ZIAGYGMSSA-N 1 0 390.285 1.583 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000519825156 648641086 /nfs/dbraw/zinc/64/10/86/648641086.db2.gz KHZVEEZLOYUREF-LSDHHAIUSA-N 1 0 385.555 1.437 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000520216708 648645971 /nfs/dbraw/zinc/64/59/71/648645971.db2.gz UGMVXCBBJZTCLA-UHFFFAOYSA-N 1 0 382.262 1.718 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000520226444 648646446 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20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000528338219 648713108 /nfs/dbraw/zinc/71/31/08/648713108.db2.gz KDEBKUIYUBLUAU-GFCCVEGCSA-N 1 0 380.436 1.791 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)NCC2CC[NH2+]CC2)c1 ZINC000571031831 651063710 /nfs/dbraw/zinc/06/37/10/651063710.db2.gz MOQAAFYXNWQXAF-UHFFFAOYSA-N 1 0 398.301 1.532 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000571303757 651072381 /nfs/dbraw/zinc/07/23/81/651072381.db2.gz RZYACQPMKKWKMY-JKSUJKDBSA-N 1 0 398.301 1.911 20 0 GDADRO [NH3+]CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000571353656 651074381 /nfs/dbraw/zinc/07/43/81/651074381.db2.gz QZYVBWKORDHMRX-UHFFFAOYSA-N 1 0 381.885 1.606 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@H]1C[NH2+]CCC1(F)F ZINC000571803320 651082887 /nfs/dbraw/zinc/08/28/87/651082887.db2.gz YNTDRFRZDQUNLB-LBPRGKRZSA-N 1 0 393.481 1.189 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCCc1ccc(Br)cc1F ZINC000571878650 651085315 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COCn1nc(C)c(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)c1C ZINC000572767177 651105503 /nfs/dbraw/zinc/10/55/03/651105503.db2.gz DSIJVNMUARBNIO-UHFFFAOYSA-N 1 0 376.548 1.210 20 0 GDADRO C[C@H](NC(=O)CCOc1ccc(Cl)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000572898835 651462035 /nfs/dbraw/zinc/46/20/35/651462035.db2.gz LEGKVYMLJVRFDF-NSHDSACASA-N 1 0 376.284 1.945 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000573309439 651475615 /nfs/dbraw/zinc/47/56/15/651475615.db2.gz XGHMJGWJTNSERA-ZDUSSCGKSA-N 1 0 387.311 1.804 20 0 GDADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000573322802 651476282 /nfs/dbraw/zinc/47/62/82/651476282.db2.gz CFYRVTZUBKTJIT-DOOHLRMFSA-N 1 0 383.539 1.778 20 0 GDADRO C[C@H]1CC[NH2+][C@H](C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000573475796 651480206 /nfs/dbraw/zinc/48/02/06/651480206.db2.gz ATWPCDIHMATFCL-GWCFXTLKSA-N 1 0 377.869 1.262 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(I)cc1F ZINC000573507242 651481875 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GDADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000573858061 651500704 /nfs/dbraw/zinc/50/07/04/651500704.db2.gz LIQDXWURTJOTQP-SNVBAGLBSA-N 1 0 384.249 1.706 20 0 GDADRO CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)s1 ZINC000573975943 651505986 /nfs/dbraw/zinc/50/59/86/651505986.db2.gz IBUWIDGMYGJODG-AWEZNQCLSA-N 1 0 389.591 1.740 20 0 GDADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)c(F)cc1F ZINC000574324369 651532881 /nfs/dbraw/zinc/53/28/81/651532881.db2.gz ILMZPJPIVYPMAU-LKFCYVNXSA-N 1 0 377.413 1.432 20 0 GDADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCNC(N)=O ZINC000574395060 651537865 /nfs/dbraw/zinc/53/78/65/651537865.db2.gz WVGCJBVQMITUEV-UHFFFAOYSA-N 1 0 386.294 1.444 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000574424334 651541434 /nfs/dbraw/zinc/54/14/34/651541434.db2.gz WICKJVVIJVRGGY-QMMMGPOBSA-N 1 0 390.665 1.870 20 0 GDADRO [NH3+]CC[C@H](NC(=O)COc1cccc(I)c1)C(F)F ZINC000574518245 651548668 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GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CCSC[C@H]1c1nccs1)C2 ZINC000629804493 653183219 /nfs/dbraw/zinc/18/32/19/653183219.db2.gz VBYNELQRXAETSW-AFAVFJNCSA-N 1 0 380.539 1.218 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCc3ncsc3C2)CC[C@H]1C(F)(F)F ZINC000629802414 653183275 /nfs/dbraw/zinc/18/32/75/653183275.db2.gz NIQURUNLTYJNER-NXEZZACHSA-N 1 0 376.404 1.014 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)C1 ZINC000629822221 653184311 /nfs/dbraw/zinc/18/43/11/653184311.db2.gz PDFGMQYHGIGNOH-JGGQBBKZSA-N 1 0 394.313 1.974 20 0 GDADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)NCC[N@H+]1CC[C@H](O)C1 ZINC000629910397 653191875 /nfs/dbraw/zinc/19/18/75/653191875.db2.gz KTGNOKSCLXJPOX-NSHDSACASA-N 1 0 381.885 1.467 20 0 GDADRO O=C(COc1ccc(Br)cn1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000630946073 653227356 /nfs/dbraw/zinc/22/73/56/653227356.db2.gz REFCOOVIFOENSE-UONOGXRCSA-N 1 0 384.274 1.281 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000631149995 653229978 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CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000631899363 653264744 /nfs/dbraw/zinc/26/47/44/653264744.db2.gz MTILFILOKRUSHG-AWEZNQCLSA-N 1 0 381.489 1.238 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000631911497 653267533 /nfs/dbraw/zinc/26/75/33/653267533.db2.gz HQWFHTJTZZNUCL-OAHLLOKOSA-N 1 0 378.416 1.988 20 0 GDADRO C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631915254 653269273 /nfs/dbraw/zinc/26/92/73/653269273.db2.gz HOLWDWPFVRPCGO-NWDGAFQWSA-N 1 0 377.304 1.760 20 0 GDADRO COC[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000631920530 653271349 /nfs/dbraw/zinc/27/13/49/653271349.db2.gz AZPRSYIFCVRXMK-KGLIPLIRSA-N 1 0 382.404 1.301 20 0 GDADRO O=C1[C@@H](NS(=O)(=O)CCC[NH+]2CCCC2)CCN1c1ccccc1Cl ZINC000631939336 653275038 /nfs/dbraw/zinc/27/50/38/653275038.db2.gz XRZSICJRADMQFV-HNNXBMFYSA-N 1 0 385.917 1.851 20 0 GDADRO O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631941461 653275467 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GDADRO CNS(=O)(=O)CCCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000633474620 653450889 /nfs/dbraw/zinc/45/08/89/653450889.db2.gz ZOFVBGLBTBXCEG-AWEZNQCLSA-N 1 0 388.559 1.199 20 0 GDADRO C[C@@](O)(C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)C1CC1 ZINC000634641749 653495642 /nfs/dbraw/zinc/49/56/42/653495642.db2.gz YLXCJTALBUJJPN-NVXWUHKLSA-N 1 0 388.555 1.403 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc(Br)cc1-n1cnnn1)C2 ZINC000634741447 653497776 /nfs/dbraw/zinc/49/77/76/653497776.db2.gz CMDXSVGTHZZFOG-IYBDPMFKSA-N 1 0 391.273 1.496 20 0 GDADRO CN(CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000634749071 653498018 /nfs/dbraw/zinc/49/80/18/653498018.db2.gz DEXCJAHWKCZHFL-CALCHBBNSA-N 1 0 385.917 1.419 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1sccc1S(=O)(=O)N1CCCC1)C2 ZINC000634748518 653498075 /nfs/dbraw/zinc/49/80/75/653498075.db2.gz FPXHKSHNWCLFIU-CALCHBBNSA-N 1 0 383.539 1.604 20 0 GDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cscc1Cl ZINC000635059324 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CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000638568816 653540344 /nfs/dbraw/zinc/54/03/44/653540344.db2.gz FHPDWMRFWTYUBS-NWDGAFQWSA-N 1 0 382.258 1.431 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000638573372 653540479 /nfs/dbraw/zinc/54/04/79/653540479.db2.gz CPWAALJFZPHDEE-QWHCGFSZSA-N 1 0 380.297 1.528 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000638572383 653540560 /nfs/dbraw/zinc/54/05/60/653540560.db2.gz KASNKJJQNAINKU-QCZZGDTMSA-N 1 0 394.269 1.690 20 0 GDADRO C[NH2+]CCOCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000638579818 653540590 /nfs/dbraw/zinc/54/05/90/653540590.db2.gz WLWRBRPXGNIHND-UHFFFAOYSA-N 1 0 381.274 1.909 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)C[NH2+]1 ZINC000638648256 653541733 /nfs/dbraw/zinc/54/17/33/653541733.db2.gz KSDJYQZJQAZSAY-NWDGAFQWSA-N 1 0 389.568 1.356 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)C[NH2+]1 ZINC000638650255 653541781 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NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)o1 ZINC000639103101 653546199 /nfs/dbraw/zinc/54/61/99/653546199.db2.gz DVPJKXRRABNJCL-OAHLLOKOSA-N 1 0 381.523 1.634 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639113629 653546625 /nfs/dbraw/zinc/54/66/25/653546625.db2.gz PRYHJMAWNPRSTD-ZDUSSCGKSA-N 1 0 387.933 1.673 20 0 GDADRO Cc1ncc(CNC(=O)CC[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)s1 ZINC000639455724 653550419 /nfs/dbraw/zinc/55/04/19/653550419.db2.gz UTLBYURCTJCJQF-CQSZACIVSA-N 1 0 388.559 1.252 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)s1 ZINC000639763090 653552647 /nfs/dbraw/zinc/55/26/47/653552647.db2.gz ASMGPAWOLTTYTH-GOEBONIOSA-N 1 0 388.555 1.798 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(Cc2nnnn2-c2ccccc2Br)C1 ZINC000639761102 653552737 /nfs/dbraw/zinc/55/27/37/653552737.db2.gz GEYZOJWANQSQHD-MRXNPFEDSA-N 1 0 395.305 1.313 20 0 GDADRO CN1CCN(C(=O)CC[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000639776689 653553770 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COc1cc(CS(=O)(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)sn1 ZINC000641483772 653568923 /nfs/dbraw/zinc/56/89/23/653568923.db2.gz DUGNONIBILRJBL-HNNXBMFYSA-N 1 0 381.523 1.840 20 0 GDADRO C[C@H]([NH3+])CNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000641494736 653569683 /nfs/dbraw/zinc/56/96/83/653569683.db2.gz YJFBHSZFTYSLIC-NSHDSACASA-N 1 0 389.283 1.573 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641511012 653570569 /nfs/dbraw/zinc/57/05/69/653570569.db2.gz KXHHRLUHZDWEHO-GXSJLCMTSA-N 1 0 388.291 1.205 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ncccc1Br ZINC000641669900 653574977 /nfs/dbraw/zinc/57/49/77/653574977.db2.gz NMLJYEIRIFPYGG-AWEZNQCLSA-N 1 0 397.317 1.371 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642105591 653576896 /nfs/dbraw/zinc/57/68/96/653576896.db2.gz JWBLEZMAFPDQKO-DOMZBBRYSA-N 1 0 382.302 1.755 20 0 GDADRO C[NH+](C)Cc1ccc(CNC(=O)Cn2cc(Br)ccc2=O)cc1 ZINC000642228647 653577908 /nfs/dbraw/zinc/57/79/08/653577908.db2.gz OKRKEXJCDSKJCH-UHFFFAOYSA-N 1 0 378.270 1.989 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NC[C@H]1CCCC[NH2+]1)CC2 ZINC000642903635 653579690 /nfs/dbraw/zinc/57/96/90/653579690.db2.gz MPFDCRDHCCOBCD-CQSZACIVSA-N 1 0 394.313 1.901 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000642910442 653579772 /nfs/dbraw/zinc/57/97/72/653579772.db2.gz GJIXZZZNYPWJRM-BXKDBHETSA-N 1 0 386.315 1.908 20 0 GDADRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000643471909 653582931 /nfs/dbraw/zinc/58/29/31/653582931.db2.gz PUQDEYDBVWBCMR-SWLSCSKDSA-N 1 0 382.302 1.836 20 0 GDADRO O=S1(=O)CC[C@@H](NC[C@@H]2C[NH2+]CCCO2)c2cc(Br)ccc21 ZINC000643542369 653583477 /nfs/dbraw/zinc/58/34/77/653583477.db2.gz BVLQQASJUAZONM-GXTWGEPZSA-N 1 0 389.315 1.636 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643542855 653583510 /nfs/dbraw/zinc/58/35/10/653583510.db2.gz POQBDZQIARKMHD-WFASDCNBSA-N 1 0 398.276 1.757 20 0 GDADRO NC(=O)C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000643804429 653589583 /nfs/dbraw/zinc/58/95/83/653589583.db2.gz SBAPWGRRPVJSKX-ZBEGNZNMSA-N 1 0 377.268 1.435 20 0 GDADRO O=C(CCn1cc(Br)cn1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000644082694 653595405 /nfs/dbraw/zinc/59/54/05/653595405.db2.gz RRGRBBDNNLTBAE-UHFFFAOYSA-N 1 0 379.262 1.479 20 0 GDADRO O=C(NCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1 ZINC000644078232 653595433 /nfs/dbraw/zinc/59/54/33/653595433.db2.gz JWFHERROEZFONN-LBPRGKRZSA-N 1 0 390.228 1.540 20 0 GDADRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000644092420 653595562 /nfs/dbraw/zinc/59/55/62/653595562.db2.gz NISKXHPDWHOAHN-GFCCVEGCSA-N 1 0 383.495 1.437 20 0 GDADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000644154159 653596089 /nfs/dbraw/zinc/59/60/89/653596089.db2.gz AKBNZDOCRWAJGI-KGLIPLIRSA-N 1 0 379.473 1.084 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644299274 653597377 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O=C1CCC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)N1 ZINC000644635376 653599847 /nfs/dbraw/zinc/59/98/47/653599847.db2.gz ZWJUYQJWBLSBLQ-GFCCVEGCSA-N 1 0 375.288 1.481 20 0 GDADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 ZINC000644811649 653600558 /nfs/dbraw/zinc/60/05/58/653600558.db2.gz BDRANCSSWXCAHG-ZFWWWQNUSA-N 1 0 383.539 1.238 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CCC[C@H]1CCOC1 ZINC000645508637 653603476 /nfs/dbraw/zinc/60/34/76/653603476.db2.gz XMJCYYGJLCTVSY-ROUUACIJSA-N 1 0 375.579 1.481 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1sccc1Br ZINC000645834502 653607229 /nfs/dbraw/zinc/60/72/29/653607229.db2.gz QDIBNDBMJVTNCW-SECBINFHSA-N 1 0 396.332 1.251 20 0 GDADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](CO)C[NH+](C)C ZINC000646210651 653609170 /nfs/dbraw/zinc/60/91/70/653609170.db2.gz CILVBDGDJBLUTC-KOLCDFICSA-N 1 0 379.682 1.909 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000646214318 653609181 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COc1cc(Br)c(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1OC ZINC000647254142 653624426 /nfs/dbraw/zinc/62/44/26/653624426.db2.gz QTQGLGDBMNMUER-UHFFFAOYSA-N 1 0 393.303 1.968 20 0 GDADRO CN(C1C[NH2+]C1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000647299381 653625544 /nfs/dbraw/zinc/62/55/44/653625544.db2.gz CBXMNCMZMJWYEZ-UHFFFAOYSA-N 1 0 389.193 1.940 20 0 GDADRO O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N[C@H]1CC[NH2+]C1 ZINC000647680526 653632762 /nfs/dbraw/zinc/63/27/62/653632762.db2.gz GBXYKNNMNJLWGD-VIFPVBQESA-N 1 0 385.795 1.115 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1CCCC[NH2+]1 ZINC000647705879 653633333 /nfs/dbraw/zinc/63/33/33/653633333.db2.gz SFYWZNZJVFPDTF-JTQLQIEISA-N 1 0 380.297 1.530 20 0 GDADRO COc1cc(C(=O)N(C)CCN2CC[NH2+]CC2)cc(OC)c1Br ZINC000647774099 653634010 /nfs/dbraw/zinc/63/40/10/653634010.db2.gz RUMVNOWPDQLDLM-UHFFFAOYSA-N 1 0 386.290 1.444 20 0 GDADRO CN(CCN1CC[NH2+]CC1)Cc1nc(-c2cc(Br)cs2)no1 ZINC000647835870 653635797 /nfs/dbraw/zinc/63/57/97/653635797.db2.gz SEXOTHZRSHANHD-UHFFFAOYSA-N 1 0 386.319 1.898 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(Cl)cc1F ZINC000648031129 653637390 /nfs/dbraw/zinc/63/73/90/653637390.db2.gz CODMTTUPNZGOCD-LLVKDONJSA-N 1 0 387.868 1.285 20 0 GDADRO COc1ccc(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(Br)c1O ZINC000648066148 653638378 /nfs/dbraw/zinc/63/83/78/653638378.db2.gz ZIKYMDFNRIVZMN-NSHDSACASA-N 1 0 386.290 1.715 20 0 GDADRO O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N[C@@H]1CCC[NH2+]CC1 ZINC000648119539 653639169 /nfs/dbraw/zinc/63/91/69/653639169.db2.gz CQAKVQQWYSCZBV-GFCCVEGCSA-N 1 0 394.269 1.694 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000648122427 653639373 /nfs/dbraw/zinc/63/93/73/653639373.db2.gz XUOFCOZMKHTXMV-NEPJUHHUSA-N 1 0 375.288 1.609 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2=O)ccc1Br ZINC000648163860 653640370 /nfs/dbraw/zinc/64/03/70/653640370.db2.gz APWSYEKTCVYJOF-KAOXEZKKSA-N 1 0 378.270 1.729 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000648718223 653653422 /nfs/dbraw/zinc/65/34/22/653653422.db2.gz XVGQPXGVXRTOOE-UHFFFAOYSA-N 1 0 394.317 1.703 20 0 GDADRO C[C@H](CC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)n1cc(Br)cn1 ZINC000648872288 653658903 /nfs/dbraw/zinc/65/89/03/653658903.db2.gz VWIJYSZSQWDVKR-CHWSQXEVSA-N 1 0 387.322 1.900 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cn2ccc(Br)cc2n1 ZINC000649070902 653663221 /nfs/dbraw/zinc/66/32/21/653663221.db2.gz YJLVZBQNEVCTLL-NSHDSACASA-N 1 0 394.273 1.289 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649075168 653663599 /nfs/dbraw/zinc/66/35/99/653663599.db2.gz YBOYADNPJHLXAW-GFCCVEGCSA-N 1 0 398.301 1.579 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000649422220 653667252 /nfs/dbraw/zinc/66/72/52/653667252.db2.gz HZEWINABIDSEGM-UHFFFAOYSA-N 1 0 385.839 1.885 20 0 GDADRO C[C@@H]1[C@H](C)N(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C[N@@H+]1C ZINC000650145748 653684929 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GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000651680463 653844969 /nfs/dbraw/zinc/84/49/69/653844969.db2.gz ITTLMWQUWMOCCA-SNVBAGLBSA-N 1 0 383.290 1.938 20 0 GDADRO CCCN(CCN1CCCC1)S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000651702573 653847823 /nfs/dbraw/zinc/84/78/23/653847823.db2.gz YOVVILCHVDUYDV-UHFFFAOYSA-N 1 0 386.539 1.612 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@H+](C)CC(C)C)cc1 ZINC000651769823 653855250 /nfs/dbraw/zinc/85/52/50/653855250.db2.gz YOSLHOJPWGEDKS-UHFFFAOYSA-N 1 0 376.544 1.736 20 0 GDADRO [NH3+]CC1(CCNC(=O)NCCNC(=O)c2cccc(Br)c2)CC1 ZINC000652143653 653882495 /nfs/dbraw/zinc/88/24/95/653882495.db2.gz HDIBKIDESZKAHE-UHFFFAOYSA-N 1 0 383.290 1.607 20 0 GDADRO Cc1cc(Br)sc1S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000652364754 653888309 /nfs/dbraw/zinc/88/83/09/653888309.db2.gz GVTKPULHCKUPKT-UHFFFAOYSA-N 1 0 382.349 1.393 20 0 GDADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000652483789 653892273 /nfs/dbraw/zinc/89/22/73/653892273.db2.gz QCEALYSKZMOSOI-CQSZACIVSA-N 1 0 382.555 1.704 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000652625554 653894277 /nfs/dbraw/zinc/89/42/77/653894277.db2.gz FIYHLUMFPQGOJZ-UHFFFAOYSA-N 1 0 380.392 1.327 20 0 GDADRO O=C(NCCNc1ncc(Cl)cc1Cl)C(=O)NCCC1CC[NH2+]CC1 ZINC000652685614 653896737 /nfs/dbraw/zinc/89/67/37/653896737.db2.gz PPENCJFNIZQDPK-UHFFFAOYSA-N 1 0 388.299 1.422 20 0 GDADRO [NH3+]CC1(CCNC(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000652714754 653896999 /nfs/dbraw/zinc/89/69/99/653896999.db2.gz RBBUHKOYXCTIDG-AWEZNQCLSA-N 1 0 395.301 1.753 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116796 653906623 /nfs/dbraw/zinc/90/66/23/653906623.db2.gz UIYHJTDYPVPOGQ-QWHCGFSZSA-N 1 0 381.274 1.772 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000653161308 653907456 /nfs/dbraw/zinc/90/74/56/653907456.db2.gz JVLUVADJFVWNKS-LLVKDONJSA-N 1 0 377.869 1.263 20 0 GDADRO C[NH+](C)CC[C@H](N)C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000653160868 653907543 /nfs/dbraw/zinc/90/75/43/653907543.db2.gz ZFSJLTUTLRZAQD-LBPRGKRZSA-N 1 0 382.262 1.394 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000653186913 653907799 /nfs/dbraw/zinc/90/77/99/653907799.db2.gz QHUGXZFXVGBYPG-SGMGOOAPSA-N 1 0 387.527 1.015 20 0 GDADRO [NH3+]CC1(CCNC(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000653219044 653908505 /nfs/dbraw/zinc/90/85/05/653908505.db2.gz WMICGYJNIDADES-UHFFFAOYSA-N 1 0 382.258 1.420 20 0 GDADRO O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1c(F)cc(F)cc1Br ZINC000653826983 653923555 /nfs/dbraw/zinc/92/35/55/653923555.db2.gz MGDMUPUUQMYLDC-WDEREUQCSA-N 1 0 390.228 1.417 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCCCO1 ZINC000653875111 653925425 /nfs/dbraw/zinc/92/54/25/653925425.db2.gz PVIWCHOCLSMAHU-UKRRQHHQSA-N 1 0 389.905 1.863 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654577597 653941768 /nfs/dbraw/zinc/94/17/68/653941768.db2.gz 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CO[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccccc1Br ZINC000655161286 653960204 /nfs/dbraw/zinc/96/02/04/653960204.db2.gz YRMGFXJGBJTVNC-WFASDCNBSA-N 1 0 398.301 1.715 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)o1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655346270 653967228 /nfs/dbraw/zinc/96/72/28/653967228.db2.gz FSNOGBCTVWEAMQ-NWDGAFQWSA-N 1 0 384.274 1.905 20 0 GDADRO C[NH2+][C@@H](C)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000655436918 653969620 /nfs/dbraw/zinc/96/96/20/653969620.db2.gz NJTVHLVRUGBBMY-JTQLQIEISA-N 1 0 377.304 1.726 20 0 GDADRO [NH3+]C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C(F)(F)F ZINC000655505923 653971802 /nfs/dbraw/zinc/97/18/02/653971802.db2.gz IWVNBZCWMBYBQZ-LLVKDONJSA-N 1 0 399.460 1.471 20 0 GDADRO [NH3+]C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(F)(F)F ZINC000655509422 653973033 /nfs/dbraw/zinc/97/30/33/653973033.db2.gz MWCHXVQDPKQURP-YPMHNXCESA-N 1 0 379.404 1.093 20 0 GDADRO CS(=O)(=O)c1ccc(OCCCCC(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000655510914 653973092 /nfs/dbraw/zinc/97/30/92/653973092.db2.gz VHBBUJUMGZMLHJ-CYBMUJFWSA-N 1 0 382.404 1.645 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)C(F)(F)F ZINC000655915338 653993758 /nfs/dbraw/zinc/99/37/58/653993758.db2.gz MVOLMIJUXFEQOX-JTQLQIEISA-N 1 0 397.195 1.368 20 0 GDADRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000655916290 653993810 /nfs/dbraw/zinc/99/38/10/653993810.db2.gz UXXHTLJPQLYKID-SKDRFNHKSA-N 1 0 382.408 1.187 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(F)(F)F ZINC000655922776 653994155 /nfs/dbraw/zinc/99/41/55/653994155.db2.gz SLIQZDCYZUZIMW-GHMZBOCLSA-N 1 0 382.745 1.773 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NCc1cc(Cl)ccc1N1CCOCC1)C(F)(F)F ZINC000655927906 653994357 /nfs/dbraw/zinc/99/43/57/653994357.db2.gz KMIBOERKUFZWLM-CYBMUJFWSA-N 1 0 380.798 1.865 20 0 GDADRO Cc1ccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c(-n2cc(Cl)cn2)n1 ZINC000655926578 653994503 /nfs/dbraw/zinc/99/45/03/653994503.db2.gz FCPDICHNMMBMPH-NSHDSACASA-N 1 0 376.770 1.918 20 0 GDADRO NS(=O)(=O)c1cc(Br)cnc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656226359 654011612 /nfs/dbraw/zinc/01/16/12/654011612.db2.gz MHMKSGVNFZHDKG-NEPJUHHUSA-N 1 0 389.319 1.920 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cccc(S(=O)(=O)NCC[NH+]2CCCC2)c1 ZINC000656373113 654021254 /nfs/dbraw/zinc/02/12/54/654021254.db2.gz VJQNAGCPZYKJPA-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@]1(C)CC1(F)F ZINC000656711466 654047622 /nfs/dbraw/zinc/04/76/22/654047622.db2.gz SIIKMKGUKAOZFL-AWEZNQCLSA-N 1 0 396.481 1.346 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2C1 ZINC000656915659 654071295 /nfs/dbraw/zinc/07/12/95/654071295.db2.gz NECXGBZETRPPBX-SWLSCSKDSA-N 1 0 385.555 1.756 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)C[C@@H](OC)C2CCCC2)CC1 ZINC000656917686 654071666 /nfs/dbraw/zinc/07/16/66/654071666.db2.gz KOKJTUAEVGFPOS-FUHWJXTLSA-N 1 0 375.579 1.385 20 0 GDADRO CO[C@@H](CS(=O)(=O)NCC1CC[NH+](CCC(C)C)CC1)[C@H]1CCOC1 ZINC000656926164 654073745 /nfs/dbraw/zinc/07/37/45/654073745.db2.gz AKDPIRJLDNEQLK-ROUUACIJSA-N 1 0 376.563 1.715 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000657090780 654107794 /nfs/dbraw/zinc/10/77/94/654107794.db2.gz GWIDQJVRAVVIMZ-UHFFFAOYSA-N 1 0 392.363 1.752 20 0 GDADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000657092173 654108501 /nfs/dbraw/zinc/10/85/01/654108501.db2.gz FOZQXQHRTGASGZ-UHFFFAOYSA-N 1 0 383.436 1.747 20 0 GDADRO COc1ncc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1Br ZINC000657675497 654155198 /nfs/dbraw/zinc/15/51/98/654155198.db2.gz AVDZBFFDBSPRQD-MWLCHTKSSA-N 1 0 399.289 1.699 20 0 GDADRO C[C@H](Cn1cncn1)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000657890907 654168530 /nfs/dbraw/zinc/16/85/30/654168530.db2.gz FRWNRHSQZBGLBV-CQSZACIVSA-N 1 0 383.543 1.735 20 0 GDADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000657908014 654169487 /nfs/dbraw/zinc/16/94/87/654169487.db2.gz DKJLDETXDLSLIZ-PHIMTYICSA-N 1 0 384.249 1.855 20 0 GDADRO COc1ncc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(C)c1Br ZINC000658021026 654178659 /nfs/dbraw/zinc/17/86/59/654178659.db2.gz FITCLWKDEFAJLP-NSHDSACASA-N 1 0 399.289 1.652 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)Cn2cncn2)cc1Br ZINC000658030425 654179297 /nfs/dbraw/zinc/17/92/97/654179297.db2.gz YPFHVTBOGVKSHH-GXTWGEPZSA-N 1 0 383.290 1.879 20 0 GDADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000658081565 654181118 /nfs/dbraw/zinc/18/11/18/654181118.db2.gz RPKKNPCXYVOTNR-AWEZNQCLSA-N 1 0 388.555 1.816 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000658366140 654185861 /nfs/dbraw/zinc/18/58/61/654185861.db2.gz ZAUJSYLJRXUFPQ-LLVKDONJSA-N 1 0 377.869 1.096 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000658373907 654186170 /nfs/dbraw/zinc/18/61/70/654186170.db2.gz HOZSITUAWCRSQC-JOYOIKCWSA-N 1 0 393.278 1.969 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CCC[C@@H](C)[C@@H]3CC[NH3+])cc2C1 ZINC000658384124 654188045 /nfs/dbraw/zinc/18/80/45/654188045.db2.gz SYWMLQKZAOCWFQ-DOMZBBRYSA-N 1 0 385.555 1.791 20 0 GDADRO NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000658385483 654188370 /nfs/dbraw/zinc/18/83/70/654188370.db2.gz IZEGNCUJTIGZFP-ZDUSSCGKSA-N 1 0 385.917 1.839 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387279 654188480 /nfs/dbraw/zinc/18/84/80/654188480.db2.gz NQXTUQRCFIQIOF-HNNXBMFYSA-N 1 0 386.539 1.490 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658384737 654188508 /nfs/dbraw/zinc/18/85/08/654188508.db2.gz JCRYJYOMGCSGBO-HNNXBMFYSA-N 1 0 386.539 1.490 20 0 GDADRO CN(CC(C)(C)[NH3+])S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000658388492 654188810 /nfs/dbraw/zinc/18/88/10/654188810.db2.gz GOGRUQVXZJMCPA-OAHLLOKOSA-N 1 0 387.933 1.944 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000658402819 654190361 /nfs/dbraw/zinc/19/03/61/654190361.db2.gz UWDGWFFDXZWOIA-CQSZACIVSA-N 1 0 386.539 1.823 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000658403766 654190407 /nfs/dbraw/zinc/19/04/07/654190407.db2.gz KSNMITRBUZGUFV-UHFFFAOYSA-N 1 0 379.251 1.627 20 0 GDADRO O=C(Nc1cc(Cl)ccc1Cl)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658902456 654211013 /nfs/dbraw/zinc/21/10/13/654211013.db2.gz YAHCRJRRICDLLB-CYBMUJFWSA-N 1 0 386.279 1.990 20 0 GDADRO CN(C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)[C@H]1CC[NH2+]C1 ZINC000659297259 654220967 /nfs/dbraw/zinc/22/09/67/654220967.db2.gz HFTCGHYAZFBRLI-AWEZNQCLSA-N 1 0 393.285 1.340 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])COC(C)C)C2=O)ccc1Br ZINC000659317010 654222041 /nfs/dbraw/zinc/22/20/41/654222041.db2.gz VJMDEKHEXGFXNZ-LSDHHAIUSA-N 1 0 398.301 1.731 20 0 GDADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc(Br)ccc1-n1cnnn1 ZINC000659312323 654222160 /nfs/dbraw/zinc/22/21/60/654222160.db2.gz FNQNEBWIAZJIAL-CYBMUJFWSA-N 1 0 377.246 1.297 20 0 GDADRO O=C(NC[C@H](CO)Cc1ccccc1Br)NCC12CC(C1)C[NH2+]2 ZINC000659614657 654229847 /nfs/dbraw/zinc/22/98/47/654229847.db2.gz PFBFAJWQDWCBDR-SFYCDEOASA-N 1 0 382.302 1.651 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000659634925 654230744 /nfs/dbraw/zinc/23/07/44/654230744.db2.gz NNMZIULJHAWGQB-LLVKDONJSA-N 1 0 381.278 1.779 20 0 GDADRO Nc1n[nH]c(C2CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)n1 ZINC000660572335 654254952 /nfs/dbraw/zinc/25/49/52/654254952.db2.gz BRMNRHYFGDKKBY-CYBMUJFWSA-N 1 0 396.289 1.769 20 0 GDADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661140097 654263705 /nfs/dbraw/zinc/26/37/05/654263705.db2.gz LJOZBPXAKBCPOW-DOMZBBRYSA-N 1 0 399.264 1.942 20 0 GDADRO CC[N@H+](CCCNC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC)C1CCCCC1 ZINC000661356192 654270480 /nfs/dbraw/zinc/27/04/80/654270480.db2.gz XZAGLIHJXYELQW-HOTGVXAUSA-N 1 0 375.535 1.142 20 0 GDADRO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Br)cc3)CC[C@@H]2N1 ZINC000661601654 654277818 /nfs/dbraw/zinc/27/78/18/654277818.db2.gz DIGNYILMTAHPTE-XPKDYRNWSA-N 1 0 383.286 1.789 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c(C)s1 ZINC000662253335 654291038 /nfs/dbraw/zinc/29/10/38/654291038.db2.gz JDHKJYNIVHGYBD-OAHLLOKOSA-N 1 0 385.555 1.192 20 0 GDADRO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC1=CCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000662268140 654291501 /nfs/dbraw/zinc/29/15/01/654291501.db2.gz QTCUQJFKWNACPR-CHWSQXEVSA-N 1 0 383.539 1.505 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000662341780 654293577 /nfs/dbraw/zinc/29/35/77/654293577.db2.gz RVQUFINQNJJOCB-UHFFFAOYSA-N 1 0 398.301 1.497 20 0 GDADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000662472647 654295172 /nfs/dbraw/zinc/29/51/72/654295172.db2.gz QHDDJGCTXYXOMJ-DZGCQCFKSA-N 1 0 386.279 1.642 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662592482 654297569 /nfs/dbraw/zinc/29/75/69/654297569.db2.gz YFUWCWMZLOMUDX-UKRRQHHQSA-N 1 0 398.301 1.278 20 0 GDADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCNC(=O)c1ccc(Br)cn1 ZINC000662621113 654298471 /nfs/dbraw/zinc/29/84/71/654298471.db2.gz DPZFRARVLYYBHU-QXMXGUDHSA-N 1 0 395.301 1.611 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000662693371 654300374 /nfs/dbraw/zinc/30/03/74/654300374.db2.gz UPGYJBHQIWVYGP-RCBQFDQVSA-N 1 0 382.302 1.755 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000662821526 654304099 /nfs/dbraw/zinc/30/40/99/654304099.db2.gz GWCPEABNWJOVCT-CVEARBPZSA-N 1 0 382.302 1.457 20 0 GDADRO [NH3+]C1(CNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CCCC1 ZINC000662863120 654312170 /nfs/dbraw/zinc/31/21/70/654312170.db2.gz LHEYHAMSLWZZCJ-UHFFFAOYSA-N 1 0 379.404 1.371 20 0 GDADRO CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000663364692 654334949 /nfs/dbraw/zinc/33/49/49/654334949.db2.gz UPENWUMSLONHFL-CYBMUJFWSA-N 1 0 392.315 1.746 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CCO1 ZINC000664201343 654368854 /nfs/dbraw/zinc/36/88/54/654368854.db2.gz AEYOKMOCSLNFLI-BZUAXINKSA-N 1 0 375.535 1.094 20 0 GDADRO CCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)[C@H]1CC[N@H+](C)C1 ZINC000664511582 654384782 /nfs/dbraw/zinc/38/47/82/654384782.db2.gz PGWNZHRNMUJPQT-NSHDSACASA-N 1 0 394.950 1.415 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CSc3ccc(Br)cc32)C[C@@H]1O ZINC000664773121 654391876 /nfs/dbraw/zinc/39/18/76/654391876.db2.gz RFWRASGXZHMJTI-AGIUHOORSA-N 1 0 386.315 1.912 20 0 GDADRO COc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)sc1S(N)(=O)=O ZINC000665856047 654413815 /nfs/dbraw/zinc/41/38/15/654413815.db2.gz HKYURMRMJRNPNO-UHFFFAOYSA-N 1 0 375.516 1.443 20 0 GDADRO Cc1c(F)c(Br)ccc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000666266519 654421494 /nfs/dbraw/zinc/42/14/94/654421494.db2.gz VHMRYOFLJCBFTG-UHFFFAOYSA-N 1 0 386.265 1.743 20 0 GDADRO CS(=O)(=O)NCCNC(=S)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000731492735 654435588 /nfs/dbraw/zinc/43/55/88/654435588.db2.gz OFIDDUSVUDPVDS-HNNXBMFYSA-N 1 0 376.592 1.044 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)CCO1 ZINC000667403142 654448565 /nfs/dbraw/zinc/44/85/65/654448565.db2.gz SLYATOIDTHGTTI-CABZTGNLSA-N 1 0 397.273 1.235 20 0 GDADRO CN1C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)NC1=O ZINC000667427341 654450348 /nfs/dbraw/zinc/45/03/48/654450348.db2.gz CFWZJVJTTXTATG-CQSZACIVSA-N 1 0 383.290 1.363 20 0 GDADRO O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667540285 654454594 /nfs/dbraw/zinc/45/45/94/654454594.db2.gz HCJSQWWHRPFRBP-UFBFGSQYSA-N 1 0 388.212 1.876 20 0 GDADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667539162 654454658 /nfs/dbraw/zinc/45/46/58/654454658.db2.gz XLWBBRTXLUTELU-PELKAZGASA-N 1 0 388.212 1.876 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Br)cc(OC)c2)CC[C@@H]1[NH3+] ZINC000667550681 654455166 /nfs/dbraw/zinc/45/51/66/654455166.db2.gz RECWJRWNYBYCCX-HZMBPMFUSA-N 1 0 384.274 1.982 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000732034253 654457465 /nfs/dbraw/zinc/45/74/65/654457465.db2.gz FDNUHOWAFLQZTP-ZDUSSCGKSA-N 1 0 385.917 1.899 20 0 GDADRO CCC[C@H](C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C)S(N)(=O)=O ZINC000667736119 654461930 /nfs/dbraw/zinc/46/19/30/654461930.db2.gz QSIGHCWRIXQEDM-MRXNPFEDSA-N 1 0 385.555 1.940 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000732203510 654463230 /nfs/dbraw/zinc/46/32/30/654463230.db2.gz BQZJJTUNRWVULA-RHSMWYFYSA-N 1 0 377.551 1.989 20 0 GDADRO Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1Br ZINC000732559368 654476366 /nfs/dbraw/zinc/47/63/66/654476366.db2.gz MBJHTMUVZXOFMS-ZDUSSCGKSA-N 1 0 384.322 1.721 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]CC1CCN(S(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000769688915 654478216 /nfs/dbraw/zinc/47/82/16/654478216.db2.gz DAZKZGFEHZFYEE-ZIAGYGMSSA-N 1 0 377.551 1.939 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2nccn3c(Br)cnc23)C1 ZINC000769775326 654481751 /nfs/dbraw/zinc/48/17/51/654481751.db2.gz GHWCWDHMPJGJCM-NSHDSACASA-N 1 0 382.262 1.332 20 0 GDADRO CCC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)S(N)(=O)=O ZINC000668848143 654492460 /nfs/dbraw/zinc/49/24/60/654492460.db2.gz OFOCXKNLMHJVRQ-CQSZACIVSA-N 1 0 377.894 1.676 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000733039423 654497383 /nfs/dbraw/zinc/49/73/83/654497383.db2.gz SWNOGAGLJYWLNC-LBPRGKRZSA-N 1 0 384.493 1.280 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2sccc2S(N)(=O)=O)C1 ZINC000669286847 654501950 /nfs/dbraw/zinc/50/19/50/654501950.db2.gz XPHDLQZTSSPIJS-CQSZACIVSA-N 1 0 379.507 1.742 20 0 GDADRO CC[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)CC[C@H]1[NH3+] ZINC000669539059 654505243 /nfs/dbraw/zinc/50/52/43/654505243.db2.gz GNLJAZBVWUHDSA-UONOGXRCSA-N 1 0 388.559 1.412 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2cccnc2I)cn1 ZINC000770484043 654513377 /nfs/dbraw/zinc/51/33/77/654513377.db2.gz NXUMYJAMCGBJKF-UHFFFAOYSA-N 1 0 385.209 1.697 20 0 GDADRO C[NH+](C)CCCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000670093623 654518957 /nfs/dbraw/zinc/51/89/57/654518957.db2.gz CXJDVGIPDQONGI-UHFFFAOYSA-N 1 0 380.873 1.008 20 0 GDADRO C[C@H](NC(=O)C(=O)NCc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000670851864 654527160 /nfs/dbraw/zinc/52/71/60/654527160.db2.gz FQBFWGAEOWGTJS-LBPRGKRZSA-N 1 0 382.302 1.912 20 0 GDADRO O=C(NCc1cc(Br)cs1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671101923 654531500 /nfs/dbraw/zinc/53/15/00/654531500.db2.gz TVWPFNIHYRSJHY-VXGBXAGGSA-N 1 0 386.315 1.870 20 0 GDADRO CC[NH+]1CCC(CNC(=O)C(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000671375860 654534625 /nfs/dbraw/zinc/53/46/25/654534625.db2.gz GDCQTPOYGPNXDZ-UHFFFAOYSA-N 1 0 378.420 1.626 20 0 GDADRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000671721699 654542517 /nfs/dbraw/zinc/54/25/17/654542517.db2.gz AKZKTDXFFDWBKZ-NFAWXSAZSA-N 1 0 388.580 1.605 20 0 GDADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000671726191 654542756 /nfs/dbraw/zinc/54/27/56/654542756.db2.gz IVRGOAIEFJVKLX-GOEBONIOSA-N 1 0 389.543 1.256 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000671820937 654545109 /nfs/dbraw/zinc/54/51/09/654545109.db2.gz XPTNZANGNQMMHP-NSHDSACASA-N 1 0 386.290 1.530 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(Br)o1)C1CC[NH+](C)CC1 ZINC000672010643 654549174 /nfs/dbraw/zinc/54/91/74/654549174.db2.gz ODOPKRDKVHWLHZ-LLVKDONJSA-N 1 0 386.290 1.847 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000672060383 654549705 /nfs/dbraw/zinc/54/97/05/654549705.db2.gz VPFVQTKLWMWVEE-GFCCVEGCSA-N 1 0 384.274 1.284 20 0 GDADRO C[C@H](CNC(=O)NCCN(C)S(=O)(=O)c1cccs1)[NH+]1CCCCC1 ZINC000771999650 654553875 /nfs/dbraw/zinc/55/38/75/654553875.db2.gz ADSUMDMLFMBRDF-CQSZACIVSA-N 1 0 388.559 1.542 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000673522049 654576384 /nfs/dbraw/zinc/57/63/84/654576384.db2.gz SKBQQTTWRWDQAY-DOMZBBRYSA-N 1 0 388.295 1.637 20 0 GDADRO C[C@H](NC(=O)[C@H](C)Oc1ccccc1Br)C(=O)NCC[NH+](C)C ZINC000673542174 654577113 /nfs/dbraw/zinc/57/71/13/654577113.db2.gz IVYHJPMIORBLKC-RYUDHWBXSA-N 1 0 386.290 1.399 20 0 GDADRO CCNS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000772980595 654577778 /nfs/dbraw/zinc/57/77/78/654577778.db2.gz XVXVDCNGVMLHGD-NSHDSACASA-N 1 0 381.420 1.951 20 0 GDADRO CN(CCn1cc(Br)cn1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000673556484 654577975 /nfs/dbraw/zinc/57/79/75/654577975.db2.gz ACJMWJYPSPQHTO-AWEZNQCLSA-N 1 0 390.351 1.724 20 0 GDADRO C[NH+](C)CCN1C[C@H](C(=O)NCCCc2cccc(Br)c2)CC1=O ZINC000673665855 654580550 /nfs/dbraw/zinc/58/05/50/654580550.db2.gz XXQLHMMACQFORV-OAHLLOKOSA-N 1 0 396.329 1.908 20 0 GDADRO COCC[N@@H+]1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C[C@@H]1C ZINC000673696340 654581246 /nfs/dbraw/zinc/58/12/46/654581246.db2.gz QDEKVQUTLZDSPS-NSHDSACASA-N 1 0 381.420 1.510 20 0 GDADRO C[C@H](CNS(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000773345486 654590529 /nfs/dbraw/zinc/59/05/29/654590529.db2.gz IEIAGLLPSXLGOB-ZIAGYGMSSA-N 1 0 375.535 1.646 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1=O ZINC000674385475 654598451 /nfs/dbraw/zinc/59/84/51/654598451.db2.gz OSSMFDWWLRDWMI-UHFFFAOYSA-N 1 0 392.257 1.897 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774249966 654619152 /nfs/dbraw/zinc/61/91/52/654619152.db2.gz GMFCZZDWHCQPCX-NEPJUHHUSA-N 1 0 397.273 1.070 20 0 GDADRO Cc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(Br)n1 ZINC000774332898 654625332 /nfs/dbraw/zinc/62/53/32/654625332.db2.gz YTZWTGGJIZBZIE-UHFFFAOYSA-N 1 0 395.261 1.488 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)NCCc1ccc(Br)cc1F ZINC000774432706 654628879 /nfs/dbraw/zinc/62/88/79/654628879.db2.gz LFKMFADHZAYYFH-UHFFFAOYSA-N 1 0 388.281 1.705 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)s1 ZINC000676846529 654651367 /nfs/dbraw/zinc/65/13/67/654651367.db2.gz XGTCYFONEDUAIW-GFCCVEGCSA-N 1 0 389.543 1.070 20 0 GDADRO COc1cc(F)c(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000676856700 654653137 /nfs/dbraw/zinc/65/31/37/654653137.db2.gz UDGJYMAVQPHMTH-GFCCVEGCSA-N 1 0 378.441 1.489 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000677017723 654659235 /nfs/dbraw/zinc/65/92/35/654659235.db2.gz RUYPFECMCIRTNA-UONOGXRCSA-N 1 0 389.543 1.056 20 0 GDADRO c1cnc(N2CCN(CCC[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)nc1 ZINC000775361893 654665829 /nfs/dbraw/zinc/66/58/29/654665829.db2.gz DLXKXGUTRLQIFV-IKGGRYGDSA-N 1 0 379.599 1.958 20 0 GDADRO Cc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1N1CCCS1(=O)=O ZINC000740772848 654672654 /nfs/dbraw/zinc/67/26/54/654672654.db2.gz RJBGWKHFVXJEFG-UHFFFAOYSA-N 1 0 382.555 1.916 20 0 GDADRO CSC[C@@H](CCO)[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000740899748 654676565 /nfs/dbraw/zinc/67/65/65/654676565.db2.gz PTUKQDMOZNWZAC-NEPJUHHUSA-N 1 0 381.951 1.408 20 0 GDADRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677845189 654677104 /nfs/dbraw/zinc/67/71/04/654677104.db2.gz XSHWJTVHFBRFSS-CQSZACIVSA-N 1 0 385.295 1.780 20 0 GDADRO CS[C@H]1CN(C(=O)Cc2csc(-c3nc[nH]n3)n2)C[C@H]1[NH+]1CCCC1 ZINC000776209997 654684898 /nfs/dbraw/zinc/68/48/98/654684898.db2.gz BALPPNNKCJSQPT-OLZOCXBDSA-N 1 0 378.527 1.509 20 0 GDADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2sccc2C(N)=O)C[C@@H]1[NH+]1CCCC1 ZINC000776483510 654690894 /nfs/dbraw/zinc/69/08/94/654690894.db2.gz GLQQJZLQIIQKNR-FPMFFAJLSA-N 1 0 382.555 1.686 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2Br)CC[N@@H+]1C ZINC000741725410 654691596 /nfs/dbraw/zinc/69/15/96/654691596.db2.gz VFBARTYEKNXHMH-NXEZZACHSA-N 1 0 390.303 1.309 20 0 GDADRO Cc1nc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c(C)s1 ZINC000678592857 654691723 /nfs/dbraw/zinc/69/17/23/654691723.db2.gz XOPKQYARCYKPJL-LLVKDONJSA-N 1 0 383.543 1.997 20 0 GDADRO C[C@H]([NH2+]CCCS(N)(=O)=O)c1cc2c(cc1Br)OCCO2 ZINC000678755634 654695101 /nfs/dbraw/zinc/69/51/01/654695101.db2.gz FNFCBVSEAPOTHV-VIFPVBQESA-N 1 0 379.276 1.550 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000742271976 654698723 /nfs/dbraw/zinc/69/87/23/654698723.db2.gz RIEYEAMMYPVHHU-OAHLLOKOSA-N 1 0 375.535 1.791 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000742273466 654698761 /nfs/dbraw/zinc/69/87/61/654698761.db2.gz BPKJDYBHMSQODI-UHFFFAOYSA-N 1 0 375.535 1.649 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)N2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000742341532 654703873 /nfs/dbraw/zinc/70/38/73/654703873.db2.gz QUUDXUJTFFDDPP-HNNXBMFYSA-N 1 0 375.535 1.601 20 0 GDADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000744759792 654735798 /nfs/dbraw/zinc/73/57/98/654735798.db2.gz OFGUXHYLEFCOCN-MRXNPFEDSA-N 1 0 390.571 1.010 20 0 GDADRO Cc1nccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1Br ZINC000682106939 654748043 /nfs/dbraw/zinc/74/80/43/654748043.db2.gz PYZJNEWAWKYXJT-ZIAGYGMSSA-N 1 0 383.290 1.637 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000779545421 654763424 /nfs/dbraw/zinc/76/34/24/654763424.db2.gz STXWPZQSBMNBLM-AWEZNQCLSA-N 1 0 382.404 1.413 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)CC1 ZINC000683229842 654771382 /nfs/dbraw/zinc/77/13/82/654771382.db2.gz UGSXGNZLSGUZAP-GOSISDBHSA-N 1 0 383.583 1.618 20 0 GDADRO O=C(c1cc[nH]c(=O)c1Br)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000683626078 654780781 /nfs/dbraw/zinc/78/07/81/654780781.db2.gz UEBNPUSHXLGLEK-GFCCVEGCSA-N 1 0 384.274 1.877 20 0 GDADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cc[nH]c(=O)c3Br)CC2)CC1 ZINC000683630292 654780821 /nfs/dbraw/zinc/78/08/21/654780821.db2.gz KVMVYNIFDSNRBT-BETUJISGSA-N 1 0 397.317 1.838 20 0 GDADRO C[C@H](CNC(=O)c1cn(C(C)(C)C)nc1Br)N1CC[NH+](C)CC1 ZINC000780529652 654786536 /nfs/dbraw/zinc/78/65/36/654786536.db2.gz KPQPRWCZHDJRLR-GFCCVEGCSA-N 1 0 386.338 1.766 20 0 GDADRO O=C(c1c[nH]c2ncc(Br)cc12)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000684277347 654795621 /nfs/dbraw/zinc/79/56/21/654795621.db2.gz DWRPNQBWVABLQE-CABCVRRESA-N 1 0 393.285 1.997 20 0 GDADRO CC(C)(C)n1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Br)n1 ZINC000780983238 654798940 /nfs/dbraw/zinc/79/89/40/654798940.db2.gz GFNRTCHASAAOHZ-LBPRGKRZSA-N 1 0 387.322 1.977 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000748706824 654810776 /nfs/dbraw/zinc/81/07/76/654810776.db2.gz MIBWYOWYCOGFFX-UHFFFAOYSA-N 1 0 389.905 1.042 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000685022325 654811003 /nfs/dbraw/zinc/81/10/03/654811003.db2.gz NMHRUWSXECTCHT-LBPRGKRZSA-N 1 0 398.305 1.896 20 0 GDADRO COc1ccc(C(=O)NCCCN2CCC[N@H+](C)CC2)nc1Br ZINC000781971406 654821765 /nfs/dbraw/zinc/82/17/65/654821765.db2.gz ZGKVTLGRWPOVCF-UHFFFAOYSA-N 1 0 385.306 1.610 20 0 GDADRO OCC1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000685619165 654823554 /nfs/dbraw/zinc/82/35/54/654823554.db2.gz AECNBNPMUCPYOT-UHFFFAOYSA-N 1 0 381.274 1.909 20 0 GDADRO C[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000782183876 654825665 /nfs/dbraw/zinc/82/56/65/654825665.db2.gz ASDWUKOIZXJFKT-UHFFFAOYSA-N 1 0 377.551 1.893 20 0 GDADRO Cn1nnc(Br)c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705702707 654833956 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385.917 1.818 20 0 GDADRO CC[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000727062590 654863041 /nfs/dbraw/zinc/86/30/41/654863041.db2.gz HBTRVMFRMBNEOB-UHFFFAOYSA-N 1 0 380.297 1.436 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)NC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727085713 654867068 /nfs/dbraw/zinc/86/70/68/654867068.db2.gz VEIWMRQHTBQHLC-CYBMUJFWSA-N 1 0 386.587 1.708 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000751021270 654869052 /nfs/dbraw/zinc/86/90/52/654869052.db2.gz HIQSOUZZJKXPLC-OAHLLOKOSA-N 1 0 385.555 1.881 20 0 GDADRO CNS(=O)(=O)c1cccc([C@@H](C)NC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000727287350 654871954 /nfs/dbraw/zinc/87/19/54/654871954.db2.gz FQADFVVWIBUGFV-CYBMUJFWSA-N 1 0 386.587 1.708 20 0 GDADRO C[C@H](NC(=S)NC1CC[NH+](C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000727287737 654872312 /nfs/dbraw/zinc/87/23/12/654872312.db2.gz OLDGACUPKKOYMK-ZDUSSCGKSA-N 1 0 384.571 1.556 20 0 GDADRO C[NH+]1CCC(OCC(=O)N[C@H]2COc3cccc(Br)c3C2)CC1 ZINC000828538947 654873026 /nfs/dbraw/zinc/87/30/26/654873026.db2.gz FVAYIGATWPRJIM-GFCCVEGCSA-N 1 0 383.286 1.980 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(=O)n(C)cc2Br)CCN1c1cc[nH+]cc1 ZINC000829215466 654894126 /nfs/dbraw/zinc/89/41/26/654894126.db2.gz PEDSMMCKXOLXMM-GFCCVEGCSA-N 1 0 391.269 1.894 20 0 GDADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cn1ccc(Br)cc1=O ZINC000829213014 654894199 /nfs/dbraw/zinc/89/41/99/654894199.db2.gz IXDRMBIYIKMJIA-UHFFFAOYSA-N 1 0 398.301 1.182 20 0 GDADRO Brc1nc(Br)n(CN2CC[NH+](C3CCC3)CC2)n1 ZINC000751595377 654900545 /nfs/dbraw/zinc/90/05/45/654900545.db2.gz RCQNQPVJWFDKRL-UHFFFAOYSA-N 1 0 379.100 1.931 20 0 GDADRO [NH3+]C[C@@H](C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccccc1 ZINC000829519113 654902951 /nfs/dbraw/zinc/90/29/51/654902951.db2.gz VCGRRJAGZQWMGO-CQSZACIVSA-N 1 0 375.441 1.110 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ncc(Br)s2)cn1 ZINC000829523680 654903079 /nfs/dbraw/zinc/90/30/79/654903079.db2.gz LMVMALAFPPIJBH-RYUDHWBXSA-N 1 0 398.330 1.991 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000729266658 654906685 /nfs/dbraw/zinc/90/66/85/654906685.db2.gz AFVHNRWQPXTANF-HUUCEWRRSA-N 1 0 375.535 1.647 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1conc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000829801940 654914743 /nfs/dbraw/zinc/91/47/43/654914743.db2.gz UXFPZKCWHRAUMF-SNVBAGLBSA-N 1 0 383.392 1.274 20 0 GDADRO CN(C)C(=O)COc1cccc(C[NH2+]Cc2cc(Br)nn2C)c1 ZINC000785426009 654917087 /nfs/dbraw/zinc/91/70/87/654917087.db2.gz JQKQLICYOIKPQA-UHFFFAOYSA-N 1 0 381.274 1.939 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)/C=C/c1ccccc1Br ZINC000752045183 654919024 /nfs/dbraw/zinc/91/90/24/654919024.db2.gz PZQCPPBOPBOCMI-VFNNOXKTSA-N 1 0 377.304 1.652 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000801584293 654927725 /nfs/dbraw/zinc/92/77/25/654927725.db2.gz AFVJNJZHZDKQSI-AWEZNQCLSA-N 1 0 377.551 1.941 20 0 GDADRO CSCCNC(=S)N(CC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000752731758 654934288 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CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cnc(Cl)c(OC)c2)CC1 ZINC000786868414 654952109 /nfs/dbraw/zinc/95/21/09/654952109.db2.gz DTRDNADNOYPXLH-LBPRGKRZSA-N 1 0 376.910 1.048 20 0 GDADRO O=C(NCCSC(F)(F)F)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787121322 654959904 /nfs/dbraw/zinc/95/99/04/654959904.db2.gz FQYJRUNBNZTIHS-LBPRGKRZSA-N 1 0 383.436 1.115 20 0 GDADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000754637827 654976147 /nfs/dbraw/zinc/97/61/47/654976147.db2.gz BVWNGGQBJDMWKB-HUUCEWRRSA-N 1 0 375.535 1.505 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)s1 ZINC000788071897 654981547 /nfs/dbraw/zinc/98/15/47/654981547.db2.gz ZSTFOBVRMAXXOZ-LBPRGKRZSA-N 1 0 375.516 1.361 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000831616840 654989503 /nfs/dbraw/zinc/98/95/03/654989503.db2.gz SKWOBCSSVFXKEA-UHFFFAOYSA-N 1 0 385.917 1.854 20 0 GDADRO O=C(NCCSC(F)(F)F)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000788518780 654996232 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1.610 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000789588524 655028380 /nfs/dbraw/zinc/02/83/80/655028380.db2.gz CQLAPSMCODLGDB-UHFFFAOYSA-N 1 0 385.262 1.345 20 0 GDADRO C[NH+](C)CCCN(C(=O)C(F)(F)c1nccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000756838542 655028485 /nfs/dbraw/zinc/02/84/85/655028485.db2.gz BVLFVYNQGXATES-LLVKDONJSA-N 1 0 381.470 1.202 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000789595506 655029189 /nfs/dbraw/zinc/02/91/89/655029189.db2.gz DJOUDPRWKWABBJ-UHFFFAOYSA-N 1 0 383.246 1.098 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc3ncc(I)n3c2)C1 ZINC000832460080 655032050 /nfs/dbraw/zinc/03/20/50/655032050.db2.gz XMBDWPPCDUWBNS-SNVBAGLBSA-N 1 0 384.221 1.750 20 0 GDADRO COC(=O)c1sccc1OS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000790016958 655037731 /nfs/dbraw/zinc/03/77/31/655037731.db2.gz BIWXGLYGNVOYMR-UHFFFAOYSA-N 1 0 387.483 1.677 20 0 GDADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)n[nH]1 ZINC000832576653 655038460 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O=C(NC[C@H]1CSCCS1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000806472308 655066262 /nfs/dbraw/zinc/06/62/62/655066262.db2.gz MTKSUCPXWKMGJI-INIZCTEOSA-N 1 0 385.599 1.865 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000759136472 655078080 /nfs/dbraw/zinc/07/80/80/655078080.db2.gz LMIVHJPHOKICGR-UHFFFAOYSA-N 1 0 389.905 1.922 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)[C@@H](CCSC)NS(=O)(=O)/C=C/c1ccccc1 ZINC000834827799 655080320 /nfs/dbraw/zinc/08/03/20/655080320.db2.gz WZZPBCPFHOAHJA-AOOXPWSASA-N 1 0 385.555 1.552 20 0 GDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC(F)(F)Br ZINC000807446082 655083519 /nfs/dbraw/zinc/08/35/19/655083519.db2.gz GZMTVBJJYUCSAE-UHFFFAOYSA-N 1 0 394.216 1.799 20 0 GDADRO CN(CC(F)(F)Br)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000807529515 655085461 /nfs/dbraw/zinc/08/54/61/655085461.db2.gz WTVMODDYPIEPGN-UHFFFAOYSA-N 1 0 388.172 1.652 20 0 GDADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000835121756 655086612 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655140957 /nfs/dbraw/zinc/14/09/57/655140957.db2.gz ORKUFGAKYALMOS-UHFFFAOYSA-N 1 0 377.551 1.388 20 0 GDADRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)nc1Br ZINC000794355798 655141048 /nfs/dbraw/zinc/14/10/48/655141048.db2.gz PHJZSGGSGDTXOE-LBPRGKRZSA-N 1 0 398.305 1.861 20 0 GDADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c(Br)nnn1C ZINC000809993301 655145722 /nfs/dbraw/zinc/14/57/22/655145722.db2.gz WCIKXKKQDIETHQ-UHFFFAOYSA-N 1 0 393.289 1.890 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000810061140 655147620 /nfs/dbraw/zinc/14/76/20/655147620.db2.gz LIQRGSHQXBYHSZ-LSDHHAIUSA-N 1 0 377.551 1.988 20 0 GDADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000794597150 655148742 /nfs/dbraw/zinc/14/87/42/655148742.db2.gz YAJKLUCMMVBNHW-JKSUJKDBSA-N 1 0 384.523 1.112 20 0 GDADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000810119847 655151707 /nfs/dbraw/zinc/15/17/07/655151707.db2.gz FKSHKTLKFORGDW-NSHDSACASA-N 1 0 377.894 1.920 20 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ZINC000813883258 655248339 /nfs/dbraw/zinc/24/83/39/655248339.db2.gz RQMWAIXATLWNIE-ZDUSSCGKSA-N 1 0 392.543 1.735 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000839491275 655249273 /nfs/dbraw/zinc/24/92/73/655249273.db2.gz NAHNPWOVIHPLJB-AWEZNQCLSA-N 1 0 375.535 1.647 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)C(=O)c2ccc(Br)s2)CC1 ZINC000839528047 655251575 /nfs/dbraw/zinc/25/15/75/655251575.db2.gz PSKYKYOVLRMFJA-UHFFFAOYSA-N 1 0 388.331 1.837 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000765961690 655254157 /nfs/dbraw/zinc/25/41/57/655254157.db2.gz DTAOTBWTLNAMAF-CMPLNLGQSA-N 1 0 395.257 1.300 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000839593034 655255286 /nfs/dbraw/zinc/25/52/86/655255286.db2.gz ZJZFXKJZACSOHB-NSHDSACASA-N 1 0 399.289 1.639 20 0 GDADRO CC(C)[C@H](O)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766031559 655256434 /nfs/dbraw/zinc/25/64/34/655256434.db2.gz LMBNCZJTGBUHFA-IUODEOHRSA-N 1 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1.002 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000818594762 655376956 /nfs/dbraw/zinc/37/69/56/655376956.db2.gz WDQXNUFGCXBAFY-KRWDZBQOSA-N 1 0 385.917 1.935 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000842790001 655377124 /nfs/dbraw/zinc/37/71/24/655377124.db2.gz BAEVAEQTMDMXJO-SFYZADRCSA-N 1 0 397.316 1.655 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000842791311 655377271 /nfs/dbraw/zinc/37/72/71/655377271.db2.gz VPQBQCNOXMZDFA-ZJUUUORDSA-N 1 0 386.417 1.338 20 0 GDADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc(I)cc1)C2 ZINC000842795124 655377649 /nfs/dbraw/zinc/37/76/49/655377649.db2.gz ITFIBLGGDXCSCX-UHFFFAOYSA-N 1 0 392.262 1.839 20 0 GDADRO Cc1cnc(Br)c(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000818632327 655377815 /nfs/dbraw/zinc/37/78/15/655377815.db2.gz CAAGUJLXZTVZHW-NWDGAFQWSA-N 1 0 379.262 1.845 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000842797422 655377839 /nfs/dbraw/zinc/37/78/39/655377839.db2.gz IDDZIYNUSSSRTR-GXFFZTMASA-N 1 0 380.919 1.491 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2cc(C(=O)OC)oc2Br)CC[C@H]1[NH3+] ZINC000842798590 655377899 /nfs/dbraw/zinc/37/78/99/655377899.db2.gz SBCLGXFDRNNDPD-DTWKUNHWSA-N 1 0 395.275 1.577 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000842799705 655378020 /nfs/dbraw/zinc/37/80/20/655378020.db2.gz ZWUYEIJATIUGIZ-HMWXGYMHSA-N 1 0 385.917 1.960 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@H]1C ZINC000842804065 655378261 /nfs/dbraw/zinc/37/82/61/655378261.db2.gz UWIQWGOTBXNQEF-BMIGLBTASA-N 1 0 375.878 1.708 20 0 GDADRO [NH3+]C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C1CCCC1 ZINC000842803346 655378288 /nfs/dbraw/zinc/37/82/88/655378288.db2.gz BWOYRJXRGDVJGZ-NSHDSACASA-N 1 0 382.454 1.479 20 0 GDADRO C[C@@]1(CNS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CCC[NH2+]C1 ZINC000842827771 655380009 /nfs/dbraw/zinc/38/00/09/655380009.db2.gz OISHJJSQZYZRDC-GFCCVEGCSA-N 1 0 386.948 1.473 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1Br ZINC000842833212 655380163 /nfs/dbraw/zinc/38/01/63/655380163.db2.gz IYPHREABHCNQEZ-NOZJJQNGSA-N 1 0 391.287 1.512 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(Br)o1 ZINC000842834215 655380289 /nfs/dbraw/zinc/38/02/89/655380289.db2.gz PWVBSZOUKMIMAX-JGVFFNPUSA-N 1 0 381.248 1.105 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842834919 655380333 /nfs/dbraw/zinc/38/03/33/655380333.db2.gz CJSZKNIKTMFJCO-JOYOIKCWSA-N 1 0 386.417 1.256 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)s1 ZINC000842838171 655380545 /nfs/dbraw/zinc/38/05/45/655380545.db2.gz JMQJUOVGJLPHIG-LBPRGKRZSA-N 1 0 375.516 1.396 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CCC[NH2+]1 ZINC000842858388 655381239 /nfs/dbraw/zinc/38/12/39/655381239.db2.gz BPKYMVWKHWACRJ-AWEZNQCLSA-N 1 0 396.918 1.543 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000842869311 655381666 /nfs/dbraw/zinc/38/16/66/655381666.db2.gz JEMROHQQVTYEHY-GFCCVEGCSA-N 1 0 391.287 1.594 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c(Br)cc1F ZINC000842881034 655382220 /nfs/dbraw/zinc/38/22/20/655382220.db2.gz BRXLPFMTZXNAJI-NKWVEPMBSA-N 1 0 383.239 1.389 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)NC[C@@H]([NH3+])CC)c1 ZINC000842887540 655382844 /nfs/dbraw/zinc/38/28/44/655382844.db2.gz LFLNTUGFQBUJRH-NSHDSACASA-N 1 0 393.303 1.950 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000842894591 655383383 /nfs/dbraw/zinc/38/33/83/655383383.db2.gz USHSYAUUOKYJLT-VXGBXAGGSA-N 1 0 387.889 1.532 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000819035475 655383541 /nfs/dbraw/zinc/38/35/41/655383541.db2.gz VFQTVSXJTVLYPO-AWEZNQCLSA-N 1 0 376.519 1.163 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cccc2ccccc21)N1CCSCC1 ZINC000819033611 655383545 /nfs/dbraw/zinc/38/35/45/655383545.db2.gz IMBIPGAPSLGFMO-SFHVURJKSA-N 1 0 380.535 1.841 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)N1CCSCC1 ZINC000819034448 655383569 /nfs/dbraw/zinc/38/35/69/655383569.db2.gz MNMURJCQKVJELH-CQSZACIVSA-N 1 0 398.472 1.707 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000819064046 655384553 /nfs/dbraw/zinc/38/45/53/655384553.db2.gz SWVCDJNORVUZQC-CYBMUJFWSA-N 1 0 398.497 1.480 20 0 GDADRO COCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)CC2 ZINC000819152759 655387017 /nfs/dbraw/zinc/38/70/17/655387017.db2.gz AZEBNKYFIXFGKE-SMDDNHRTSA-N 1 0 399.264 1.964 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1 ZINC000819168530 655387424 /nfs/dbraw/zinc/38/74/24/655387424.db2.gz QGDUGPLWZBKRMN-CQSZACIVSA-N 1 0 377.388 1.672 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)COc1cccc(Br)c1)CC1CC1 ZINC000819172982 655387426 /nfs/dbraw/zinc/38/74/26/655387426.db2.gz IAJHALOCTHWFPR-AWEZNQCLSA-N 1 0 392.315 1.603 20 0 GDADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1 ZINC000819168529 655387429 /nfs/dbraw/zinc/38/74/29/655387429.db2.gz QGDUGPLWZBKRMN-AWEZNQCLSA-N 1 0 377.388 1.672 20 0 GDADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cccc(I)c1 ZINC000843050347 655387550 /nfs/dbraw/zinc/38/75/50/655387550.db2.gz JBBMPGJZDGKTKD-UHFFFAOYSA-N 1 0 389.237 1.865 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000819177748 655387583 /nfs/dbraw/zinc/38/75/83/655387583.db2.gz VPRHIDJOBRPXSE-CJNGLKHVSA-N 1 0 379.544 1.387 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1F)c1cccs1 ZINC000843096967 655388317 /nfs/dbraw/zinc/38/83/17/655388317.db2.gz HLYPDRGMDSTLRA-SMDDNHRTSA-N 1 0 377.434 1.484 20 0 GDADRO C[C@](O)(C[NH2+][C@@H]1CCCN(CCO)C1=O)c1ccc(Br)cc1F ZINC000843105894 655388651 /nfs/dbraw/zinc/38/86/51/655388651.db2.gz ZAZUGRCVDIMPGL-ZBFHGGJFSA-N 1 0 389.265 1.369 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1CCC=CO1 ZINC000819246192 655388668 /nfs/dbraw/zinc/38/86/68/655388668.db2.gz FAAVTWHMGDCABP-HNNXBMFYSA-N 1 0 387.523 1.926 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]CC2(S(C)(=O)=O)CC2)CC1 ZINC000819276261 655389141 /nfs/dbraw/zinc/38/91/41/655389141.db2.gz GPXOUGCTBZRCFM-CQSZACIVSA-N 1 0 376.519 1.161 20 0 GDADRO O[C@@H](C[NH2+]CC1(N2CCOCC2)CCOCC1)c1cccc(Br)c1 ZINC000819361005 655390570 /nfs/dbraw/zinc/39/05/70/655390570.db2.gz BMZWMMMMYIGSIL-KRWDZBQOSA-N 1 0 399.329 1.954 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]CCS(=O)(=O)C2CC2)CC1 ZINC000819369808 655390683 /nfs/dbraw/zinc/39/06/83/655390683.db2.gz NWBDKHOSVUDXKW-KRWDZBQOSA-N 1 0 376.519 1.305 20 0 GDADRO C[C@](O)(C[NH2+]CCS(=O)(=O)C1CC1)c1ccc(Br)cc1F ZINC000819369618 655390723 /nfs/dbraw/zinc/39/07/23/655390723.db2.gz LYFSISRTPYZCBE-AWEZNQCLSA-N 1 0 380.279 1.963 20 0 GDADRO C[C@](O)(C[NH2+][C@@H]1CCc2nnnn2CC1)c1ccc(Br)cc1F ZINC000819376025 655390876 /nfs/dbraw/zinc/39/08/76/655390876.db2.gz ZROLGLDVYFMZLR-ABAIWWIYSA-N 1 0 384.253 1.777 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 ZINC000843339612 655392911 /nfs/dbraw/zinc/39/29/11/655392911.db2.gz ZPSRBEOSYGQCDV-GFCCVEGCSA-N 1 0 388.921 1.250 20 0 GDADRO CCC(CC)(C[NH3+])NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843344023 655393051 /nfs/dbraw/zinc/39/30/51/655393051.db2.gz LXMAYSZAIIMPEE-LLVKDONJSA-N 1 0 376.910 1.426 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843345079 655393096 /nfs/dbraw/zinc/39/30/96/655393096.db2.gz QFMPIIAILMQNKW-LBPRGKRZSA-N 1 0 382.511 1.401 20 0 GDADRO CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843347884 655393395 /nfs/dbraw/zinc/39/33/95/655393395.db2.gz XOXCXZRPYWKENP-MLGOLLRUSA-N 1 0 390.937 1.672 20 0 GDADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCCNC(=O)c1cccc(Br)c1 ZINC000843417509 655394654 /nfs/dbraw/zinc/39/46/54/655394654.db2.gz GDLBOSCXBCTQQN-CQSZACIVSA-N 1 0 384.274 1.064 20 0 GDADRO CN(C)C(=O)Sc1cccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c1 ZINC000843426076 655394718 /nfs/dbraw/zinc/39/47/18/655394718.db2.gz ILVXGERUIUVVMO-UHFFFAOYSA-N 1 0 385.511 1.566 20 0 GDADRO Cc1c(Br)cccc1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000844040551 655405865 /nfs/dbraw/zinc/40/58/65/655405865.db2.gz VKDYILADTQHTDL-ZDUSSCGKSA-N 1 0 382.302 1.878 20 0 GDADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000820503717 655410941 /nfs/dbraw/zinc/41/09/41/655410941.db2.gz MNKDASHKDARYPF-ZANVPECISA-N 1 0 390.303 1.261 20 0 GDADRO C[NH+](C)CCCN(C(=O)Cc1csc(C2CC2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000820674438 655413780 /nfs/dbraw/zinc/41/37/80/655413780.db2.gz WVCZMJVTASBUMA-HNNXBMFYSA-N 1 0 385.555 1.530 20 0 GDADRO C[NH+](C)CCn1nccc1NC(=O)c1cc(Br)cn2ncnc12 ZINC000820714442 655414224 /nfs/dbraw/zinc/41/42/24/655414224.db2.gz AKJWVOYKDHXEBG-UHFFFAOYSA-N 1 0 378.234 1.502 20 0 GDADRO CCn1ncc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1Br ZINC000821143574 655423432 /nfs/dbraw/zinc/42/34/32/655423432.db2.gz MIFMMWWTNIJBQV-MRVWCRGKSA-N 1 0 385.306 1.989 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)N2CCn3ncc(Br)c3C2)n1 ZINC000821341543 655426966 /nfs/dbraw/zinc/42/69/66/655426966.db2.gz VBXIBSPMJABLSR-UHFFFAOYSA-N 1 0 382.266 1.451 20 0 GDADRO CC[NH+]1CCC(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)(C(F)(F)F)CC1 ZINC000821652820 655433016 /nfs/dbraw/zinc/43/30/16/655433016.db2.gz AGVHXTPLRLUVPJ-FZMZJTMJSA-N 1 0 379.448 1.973 20 0 GDADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(Br)n[nH]3)cn2)CC1 ZINC000822322059 655443298 /nfs/dbraw/zinc/44/32/98/655443298.db2.gz DMMNAMUPUXXOJQ-UHFFFAOYSA-N 1 0 393.289 1.639 20 0 GDADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000846032243 655445616 /nfs/dbraw/zinc/44/56/16/655445616.db2.gz CKTGKIKNMPCMMH-ILXRZTDVSA-N 1 0 375.535 1.646 20 0 GDADRO C[C@@H]1CC[C@H]([NH2+]CCCN2CCCS2(=O)=O)CN1C(=O)OC(C)(C)C ZINC000822455690 655445642 /nfs/dbraw/zinc/44/56/42/655445642.db2.gz IOXLGZCOYFUBDJ-CABCVRRESA-N 1 0 375.535 1.790 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cn(C)cc(Br)c1=O ZINC000822572477 655447307 /nfs/dbraw/zinc/44/73/07/655447307.db2.gz MNTHKHBEOJCWMB-NSHDSACASA-N 1 0 387.278 1.380 20 0 GDADRO COC(=O)CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)C1CCOCC1 ZINC000822658913 655449106 /nfs/dbraw/zinc/44/91/06/655449106.db2.gz IFOVRTJMXNDVNW-UHFFFAOYSA-N 1 0 390.527 1.543 20 0 GDADRO O=C(NCCC[C@H]1CC1(Cl)Cl)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000846208320 655449938 /nfs/dbraw/zinc/44/99/38/655449938.db2.gz IHQSTIWYXCXBIK-KGLIPLIRSA-N 1 0 391.343 1.814 20 0 GDADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCSCc2ccnc(Cl)c2)CC1 ZINC000846336248 655452423 /nfs/dbraw/zinc/45/24/23/655452423.db2.gz YKHFHVBLJNLPFX-UHFFFAOYSA-N 1 0 384.933 1.672 20 0 GDADRO Brc1cc2c(cc1Cc1noc(C[C@H]3COCC[NH2+]3)n1)OCO2 ZINC000822946899 655454270 /nfs/dbraw/zinc/45/42/70/655454270.db2.gz JVUAYJNVPBMXDO-JTQLQIEISA-N 1 0 382.214 1.683 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000823021432 655455392 /nfs/dbraw/zinc/45/53/92/655455392.db2.gz WCLIDPIHBFADLF-PBHICJAKSA-N 1 0 376.519 1.257 20 0 GDADRO CCO[C@@H]1CN(C(=O)c2cccnc2I)C[C@H]1C[NH3+] ZINC000846717909 655459329 /nfs/dbraw/zinc/45/93/29/655459329.db2.gz JMVHDHHYLAZHTI-MWLCHTKSSA-N 1 0 375.210 1.122 20 0 GDADRO CCn1ncc(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1Br ZINC000823435548 655463077 /nfs/dbraw/zinc/46/30/77/655463077.db2.gz RPWVGLMEPHWEQL-LBPRGKRZSA-N 1 0 398.305 1.092 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Br)cn2ccnc12 ZINC000823727555 655467353 /nfs/dbraw/zinc/46/73/53/655467353.db2.gz HOVSPBZRIZTCKH-ZDUSSCGKSA-N 1 0 381.274 1.673 20 0 GDADRO Cc1nc(Cl)c(Cl)cc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000847500863 655470471 /nfs/dbraw/zinc/47/04/71/655470471.db2.gz PYDDSOFZWXRWOO-ZDUSSCGKSA-N 1 0 387.311 1.833 20 0 GDADRO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc(Br)cc1-c1nn[nH]n1 ZINC000824414180 655475047 /nfs/dbraw/zinc/47/50/47/655475047.db2.gz WNWJWPMCPMKIDJ-LLVKDONJSA-N 1 0 380.294 1.677 20 0 GDADRO C[N@@H+]1CC[C@H](CCOC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 ZINC000847828034 655477313 /nfs/dbraw/zinc/47/73/13/655477313.db2.gz KEAXZVCSUKRFLB-CQSZACIVSA-N 1 0 386.539 1.960 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000824940547 655482435 /nfs/dbraw/zinc/48/24/35/655482435.db2.gz DBGLXXLQCYMGBR-CQSZACIVSA-N 1 0 393.285 1.977 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000825197717 655485573 /nfs/dbraw/zinc/48/55/73/655485573.db2.gz SBLDMHYKOKUHRT-UHFFFAOYSA-N 1 0 390.303 1.168 20 0 GDADRO CC[NH+](CC)CCOC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000825256116 655486825 /nfs/dbraw/zinc/48/68/25/655486825.db2.gz YFALGODSBYHGGM-UHFFFAOYSA-N 1 0 382.404 1.869 20 0 GDADRO Cn1nc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1Br ZINC000825289892 655487308 /nfs/dbraw/zinc/48/73/08/655487308.db2.gz JKWKUDPELFUQNS-UHFFFAOYSA-N 1 0 378.274 1.972 20 0 GDADRO CC[NH+](CC)CCSCC(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000848331827 655487659 /nfs/dbraw/zinc/48/76/59/655487659.db2.gz OTBPDAVBOVKHJW-CYBMUJFWSA-N 1 0 383.480 1.979 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1Cl ZINC000848438146 655489983 /nfs/dbraw/zinc/48/99/83/655489983.db2.gz AVVFGUCMWJZEOF-SNVBAGLBSA-N 1 0 389.783 1.141 20 0 GDADRO OC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1Br)C1CCOCC1 ZINC000826508047 655498418 /nfs/dbraw/zinc/49/84/18/655498418.db2.gz BZXQXJXROMJETQ-AWEZNQCLSA-N 1 0 382.262 1.506 20 0 GDADRO Cn1cc(Br)c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1=O ZINC000826752180 655500774 /nfs/dbraw/zinc/50/07/74/655500774.db2.gz XQVLFVXIUOVBIU-ZDUSSCGKSA-N 1 0 382.302 2.000 20 0 GDADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000848939783 655502474 /nfs/dbraw/zinc/50/24/74/655502474.db2.gz DBPJNRKANPHCQB-RNFRBKRXSA-N 1 0 382.305 1.110 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH2+]C3(CCCCC3)C2)c1 ZINC000848941707 655502945 /nfs/dbraw/zinc/50/29/45/655502945.db2.gz DXMORCJBCJUZCK-UHFFFAOYSA-N 1 0 385.917 1.996 20 0 GDADRO Cc1c(Cl)c(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)sc1S(N)(=O)=O ZINC000827267281 655508365 /nfs/dbraw/zinc/50/83/65/655508365.db2.gz MGGIYPVRWROXRE-VHSXEESVSA-N 1 0 377.919 1.524 20 0 GDADRO COc1ccc(Br)c(CNC(=[NH2+])NCCCN2CCOCC2)c1 ZINC000849071772 655517173 /nfs/dbraw/zinc/51/71/73/655517173.db2.gz HCFWJGLEWJXBND-UHFFFAOYSA-N 1 0 385.306 1.794 20 0 GDADRO COc1ccccc1CNC(=[NH2+])NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000849107907 655517352 /nfs/dbraw/zinc/51/73/52/655517352.db2.gz HDOTZULZUSMVAX-ZDUSSCGKSA-N 1 0 383.495 1.205 20 0 GDADRO COc1ccc(CCNC(=[NH2+])NCCn2cc(Br)ccc2=O)cc1 ZINC000849110166 655517392 /nfs/dbraw/zinc/51/73/92/655517392.db2.gz UWVAMULQYZZSJZ-UHFFFAOYSA-N 1 0 393.285 1.976 20 0 GDADRO C[C@H]1CN(C(=[NH2+])NC[C@@H](CO)Cc2ccc(F)c(Br)c2)CCO1 ZINC000849116771 655517587 /nfs/dbraw/zinc/51/75/87/655517587.db2.gz NPXBUSSTXWKMNE-AAEUAGOBSA-N 1 0 388.281 1.984 20 0 GDADRO [NH3+][C@H](CC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CC1 ZINC000828198516 655519904 /nfs/dbraw/zinc/51/99/04/655519904.db2.gz JUZYMTKMYPHPBT-OAHLLOKOSA-N 1 0 380.286 1.861 20 0 GDADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)cn1 ZINC000849569863 655542598 /nfs/dbraw/zinc/54/25/98/655542598.db2.gz WGORFTPCDHZQFV-KSWRQPAISA-N 1 0 380.583 1.951 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]Cc2ccnn2CC2CC2)CC1)C(F)(F)F ZINC000850133593 655550507 /nfs/dbraw/zinc/55/05/07/655550507.db2.gz NIOQWOCBONVNEI-UHFFFAOYSA-N 1 0 380.436 1.944 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000850357735 655552938 /nfs/dbraw/zinc/55/29/38/655552938.db2.gz SWKAEDAJZKWQCX-VIFPVBQESA-N 1 0 384.893 1.592 20 0 GDADRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000850490640 655556479 /nfs/dbraw/zinc/55/64/79/655556479.db2.gz FAINLEUBRKZSAM-BSNNYGBQSA-N 1 0 386.461 1.899 20 0 GDADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(N2CCNC2=O)cc1 ZINC000850519038 655557124 /nfs/dbraw/zinc/55/71/24/655557124.db2.gz WRFQHBOEDVRRAU-LLVKDONJSA-N 1 0 379.404 1.844 20 0 GDADRO O=S(=O)(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2scnc21 ZINC000850587833 655559276 /nfs/dbraw/zinc/55/92/76/655559276.db2.gz LIGRWDPAMLYQFE-GFCCVEGCSA-N 1 0 394.444 1.411 20 0 GDADRO C[C@H](CCNC(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)[NH+](C)C ZINC000850595879 655560163 /nfs/dbraw/zinc/56/01/63/655560163.db2.gz HEUILYOUGMXGAC-JUTIIYIPSA-N 1 0 379.404 1.709 20 0 GDADRO CCN(C(=O)C(=O)Nc1ccc(Br)nc1OC)[C@H]1CC[N@H+](CC)C1 ZINC000850606593 655560646 /nfs/dbraw/zinc/56/06/46/655560646.db2.gz GSXSENVRPIXQJT-NSHDSACASA-N 1 0 399.289 1.734 20 0 GDADRO O=C(NCC(F)(F)Br)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850819152 655568817 /nfs/dbraw/zinc/56/88/17/655568817.db2.gz KYQZPNVHVKFJET-NSHDSACASA-N 1 0 392.200 1.390 20 0 GDADRO [NH3+]CCN(CCc1ccccc1)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000851672815 655590360 /nfs/dbraw/zinc/59/03/60/655590360.db2.gz UXIHCESYBZYURQ-UHFFFAOYSA-N 1 0 381.420 1.177 20 0 GDADRO CC[C@@H]([NH2+]CCn1cnc(Br)n1)c1cccc(S(N)(=O)=O)c1 ZINC000851902643 655603773 /nfs/dbraw/zinc/60/37/73/655603773.db2.gz RIEYXYWDMOHSAD-GFCCVEGCSA-N 1 0 388.291 1.429 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C 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XHLXKTIRUBUNTM-PELKAZGASA-N 1 0 377.750 1.997 20 0 GDADRO C[C@@]1(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)CC[NH2+]C1 ZINC000853337227 655638549 /nfs/dbraw/zinc/63/85/49/655638549.db2.gz XVIQSHMYXGJMFM-GFCCVEGCSA-N 1 0 395.179 1.670 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1c(Br)nc2n1CCCC2 ZINC000854641356 655673127 /nfs/dbraw/zinc/67/31/27/655673127.db2.gz BQVHYCAHXLTOQS-QWHCGFSZSA-N 1 0 397.317 1.917 20 0 GDADRO COc1cc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cnc1Br ZINC000854644234 655673395 /nfs/dbraw/zinc/67/33/95/655673395.db2.gz KEPFCWHAQUBAEZ-UHFFFAOYSA-N 1 0 383.290 1.172 20 0 GDADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000854654827 655673517 /nfs/dbraw/zinc/67/35/17/655673517.db2.gz MMZJVLZFODFZGQ-GWCFXTLKSA-N 1 0 379.262 1.589 20 0 GDADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3csc(I)n3)[C@@H]2C1 ZINC000854987016 655683469 /nfs/dbraw/zinc/68/34/69/655683469.db2.gz HYEVWZHOMWNTLF-WCBMZHEXSA-N 1 0 377.251 1.914 20 0 GDADRO Cn1nc(Br)cc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000855200422 655686464 /nfs/dbraw/zinc/68/64/64/655686464.db2.gz ABRHOXMAGIDBKW-UHFFFAOYSA-N 1 0 385.306 1.803 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1nc(Br)ccc1F ZINC000855346393 655692440 /nfs/dbraw/zinc/69/24/40/655692440.db2.gz AAJIDRBUUJFWHH-NSHDSACASA-N 1 0 375.286 1.985 20 0 GDADRO CCN(C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000855360814 655692683 /nfs/dbraw/zinc/69/26/83/655692683.db2.gz ORFILPSETPXONQ-ZDUSSCGKSA-N 1 0 385.917 1.901 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1sc(N2CCCC2)nc1Cl ZINC000855695056 655699632 /nfs/dbraw/zinc/69/96/32/655699632.db2.gz FJRODIKTNXYVQI-UHFFFAOYSA-N 1 0 387.937 1.489 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[C@H]2CC2(Cl)Cl)CC1 ZINC000856946048 655722998 /nfs/dbraw/zinc/72/29/98/655722998.db2.gz AYEPNVBCXJYTDX-ZDUSSCGKSA-N 1 0 379.332 1.766 20 0 GDADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1-n1cnnn1 ZINC000857004578 655725330 /nfs/dbraw/zinc/72/53/30/655725330.db2.gz FAAWINZNXYFEJA-LLVKDONJSA-N 1 0 387.188 1.152 20 0 GDADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000857103677 655727871 /nfs/dbraw/zinc/72/78/71/655727871.db2.gz MIRAGCBJOQSLFP-ZJUUUORDSA-N 1 0 377.238 1.706 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)NCC[C@H]2CC2(Cl)Cl)C1)[C@H]1CCC[NH2+]1 ZINC000857104968 655727874 /nfs/dbraw/zinc/72/78/74/655727874.db2.gz BWJUGROFEQQHLM-MELADBBJSA-N 1 0 391.343 1.860 20 0 GDADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857152208 655729253 /nfs/dbraw/zinc/72/92/53/655729253.db2.gz YKMGGXUTYPVCQF-GFCCVEGCSA-N 1 0 385.306 1.884 20 0 GDADRO COc1ccc(Br)cc1OC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000857738794 655740952 /nfs/dbraw/zinc/74/09/52/655740952.db2.gz NFYZSYCRYCDDSY-LLVKDONJSA-N 1 0 385.258 1.773 20 0 GDADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)ccc1S(=O)(=O)C(F)F ZINC000858469440 655748509 /nfs/dbraw/zinc/74/85/09/655748509.db2.gz OUWLHDFGHIYQRG-CYZMBNFOSA-N 1 0 379.425 1.882 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)C1CCS(=O)(=O)CC1 ZINC000858527165 655748984 /nfs/dbraw/zinc/74/89/84/655748984.db2.gz OPFIKUWEEJYIKY-UKRRQHHQSA-N 1 0 376.519 1.425 20 0 GDADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000858526582 655749037 /nfs/dbraw/zinc/74/90/37/655749037.db2.gz FPEGQZFOPSLGPV-ZNMIVQPWSA-N 1 0 376.519 1.568 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000858609612 655750066 /nfs/dbraw/zinc/75/00/66/655750066.db2.gz VYQRAAFTOPANCL-GHMZBOCLSA-N 1 0 379.404 1.935 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000858609164 655750068 /nfs/dbraw/zinc/75/00/68/655750068.db2.gz PODZGWIXQPDBME-ZWNOBZJWSA-N 1 0 379.404 1.935 20 0 GDADRO COC[C@]1(CNS(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)CCC[NH2+]1 ZINC000858612181 655750205 /nfs/dbraw/zinc/75/02/05/655750205.db2.gz YQSSVBPNIRMWDW-OAHLLOKOSA-N 1 0 391.877 1.565 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc3c2COC3=O)CC[C@H]1C(F)(F)F ZINC000858623224 655750964 /nfs/dbraw/zinc/75/09/64/655750964.db2.gz GEJFEYRDDDABRS-BXKDBHETSA-N 1 0 378.372 1.505 20 0 GDADRO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)C1 ZINC000859072931 655761777 /nfs/dbraw/zinc/76/17/77/655761777.db2.gz LJJCIBYNUXQOGU-HNNXBMFYSA-N 1 0 375.535 1.647 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000859102537 655763392 /nfs/dbraw/zinc/76/33/92/655763392.db2.gz KOWVWUPNWSDUGG-UHFFFAOYSA-N 1 0 383.392 1.044 20 0 GDADRO Cn1nc(Cl)c(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1Cl ZINC000860008192 655793075 /nfs/dbraw/zinc/79/30/75/655793075.db2.gz QHLVTYKHCUYSLC-UHFFFAOYSA-N 1 0 375.256 1.627 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC[NH+]1CCC1 ZINC000861388317 655820616 /nfs/dbraw/zinc/82/06/16/655820616.db2.gz RRXUFQIBKOZFGW-LLVKDONJSA-N 1 0 380.388 1.621 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000861539153 655825334 /nfs/dbraw/zinc/82/53/34/655825334.db2.gz AHIITHQUTIIRNK-LLVKDONJSA-N 1 0 399.289 1.030 20 0 GDADRO CCOC(=O)c1c(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])sc2c1CCCS2 ZINC000861542834 655825550 /nfs/dbraw/zinc/82/55/50/655825550.db2.gz ULKQSTXYDIZGJB-SECBINFHSA-N 1 0 385.511 1.707 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861545568 655825857 /nfs/dbraw/zinc/82/58/57/655825857.db2.gz XIYVQYCCCFVQKC-QMMMGPOBSA-N 1 0 376.226 1.731 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)NCCOc1ccc(I)cc1 ZINC000861630163 655827403 /nfs/dbraw/zinc/82/74/03/655827403.db2.gz PJQRVEPAPWUQNA-SNVBAGLBSA-N 1 0 377.226 1.659 20 0 GDADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000862513315 655847102 /nfs/dbraw/zinc/84/71/02/655847102.db2.gz RDDORVHEJMKENT-KKUMJFAQSA-N 1 0 376.519 1.568 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cccc(NC(=O)C(F)(F)F)c3)C[C@H]21 ZINC000863451302 655873593 /nfs/dbraw/zinc/87/35/93/655873593.db2.gz ZNROLBCGPBWGCC-ITGUQSILSA-N 1 0 377.388 1.368 20 0 GDADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000863570992 655875894 /nfs/dbraw/zinc/87/58/94/655875894.db2.gz OHCWFHRABIECRC-WMZOPIPTSA-N 1 0 399.329 1.688 20 0 GDADRO CON(C)C(=O)[C@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000863586468 655876819 /nfs/dbraw/zinc/87/68/19/655876819.db2.gz AZFGATGXFICNSY-CABZTGNLSA-N 1 0 379.226 1.326 20 0 GDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cn1ccc(Br)cc1=O ZINC000865177219 655913858 /nfs/dbraw/zinc/91/38/58/655913858.db2.gz BHDRLDQWSGAMOO-CQSZACIVSA-N 1 0 386.290 1.180 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CCN1CCCS1(=O)=O)CC(F)(F)F ZINC000865450236 655919932 /nfs/dbraw/zinc/91/99/32/655919932.db2.gz KHJVZTQNXINXCM-LLVKDONJSA-N 1 0 389.440 1.457 20 0 GDADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CC(C)(C)NS(C)(=O)=O)CC(F)(F)F ZINC000865455456 655920159 /nfs/dbraw/zinc/92/01/59/655920159.db2.gz IBRTWCKVTMNQFT-JTQLQIEISA-N 1 0 391.456 1.750 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]CC1(OCCO)CCOCC1 ZINC000865556769 655921843 /nfs/dbraw/zinc/92/18/43/655921843.db2.gz VYZFWKNPNJAMRT-UHFFFAOYSA-N 1 0 375.263 1.500 20 0 GDADRO Cc1ccnc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1Br ZINC000865555540 655921861 /nfs/dbraw/zinc/92/18/61/655921861.db2.gz BNKRWLVALSSICJ-NEPJUHHUSA-N 1 0 376.320 1.960 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](NC(C)=O)c2cccc(Br)c2)C1 ZINC000865583621 655922362 /nfs/dbraw/zinc/92/23/62/655922362.db2.gz FVFOQPOCBYKBHL-HZPDHXFCSA-N 1 0 398.301 1.463 20 0 GDADRO NS(=O)(=O)c1cc(C[NH2+]CC[S@@](=O)CC(F)(F)F)ccc1Cl ZINC000865622594 655923100 /nfs/dbraw/zinc/92/31/00/655923100.db2.gz YNAMQGYEVQIHSG-OAQYLSRUSA-N 1 0 378.825 1.388 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]Cc3cnc4ccc(Br)cn34)COCCN12 ZINC000865768921 655926111 /nfs/dbraw/zinc/92/61/11/655926111.db2.gz CNJGGVQDKHMTLE-OAHLLOKOSA-N 1 0 381.230 1.408 20 0 GDADRO O=C1COC[C@]2(C[NH2+]Cc3c(Cl)cccc3OC(F)F)COCCN12 ZINC000865798836 655927175 /nfs/dbraw/zinc/92/71/75/655927175.db2.gz ZNTOEILLEPAEDJ-INIZCTEOSA-N 1 0 376.787 1.659 20 0 GDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(I)nn1C ZINC000866113331 655934685 /nfs/dbraw/zinc/93/46/85/655934685.db2.gz MADUKGMWTGXSCI-NSHDSACASA-N 1 0 390.269 1.971 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(c3c(F)cc(S(N)(=O)=O)cc3Br)CC[C@@H]21 ZINC000866209685 655936030 /nfs/dbraw/zinc/93/60/30/655936030.db2.gz VATHFMAYGWRPHK-RNCFNFMXSA-N 1 0 392.294 1.766 20 0 GDADRO O=C1COC[C@]2(C[NH2+]C3CC(c4cccc(Br)c4)C3)COCCN12 ZINC000866551465 655948970 /nfs/dbraw/zinc/94/89/70/655948970.db2.gz AHLUQGNETJDPFE-PVARCSIZSA-N 1 0 395.297 1.913 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2ccc(F)cc2Br)C1 ZINC000866708421 655955593 /nfs/dbraw/zinc/95/55/93/655955593.db2.gz MWGHBRDTWQDYBS-CFVMTHIKSA-N 1 0 384.249 1.955 20 0 GDADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000866736420 655957525 /nfs/dbraw/zinc/95/75/25/655957525.db2.gz XKSSQTRPCVQIDE-HSZRJFAPSA-N 1 0 377.507 1.801 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000866738885 655957678 /nfs/dbraw/zinc/95/76/78/655957678.db2.gz SQBNQGPFNYHLEH-LLVKDONJSA-N 1 0 377.304 1.877 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866744991 655958232 /nfs/dbraw/zinc/95/82/32/655958232.db2.gz ZQYPBXWKEWUHJB-GHMZBOCLSA-N 1 0 377.308 1.335 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1 ZINC000866755322 655959213 /nfs/dbraw/zinc/95/92/13/655959213.db2.gz VTVGEYCVINKKOW-NSHDSACASA-N 1 0 379.404 1.808 20 0 GDADRO C[C@@]1(CS(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(Cl)Cl ZINC000866761882 655959917 /nfs/dbraw/zinc/95/99/17/655959917.db2.gz BYQKROFPLHCINV-ZJUUUORDSA-N 1 0 398.278 1.326 20 0 GDADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000866763171 655960148 /nfs/dbraw/zinc/96/01/48/655960148.db2.gz BYVTWRJWKCKQPR-JTQLQIEISA-N 1 0 387.918 1.013 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C(F)(F)F ZINC000866765772 655960520 /nfs/dbraw/zinc/96/05/20/655960520.db2.gz BIVJNWUKQDJHCG-WDEREUQCSA-N 1 0 377.388 1.560 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1C(F)(F)F ZINC000866778641 655962564 /nfs/dbraw/zinc/96/25/64/655962564.db2.gz BCASIKRNRWTDAL-SFYZADRCSA-N 1 0 394.341 1.587 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000866816031 655966490 /nfs/dbraw/zinc/96/64/90/655966490.db2.gz IIHLAKBMEMVDOT-BNOWGMLFSA-N 1 0 389.836 1.035 20 0 GDADRO COCCC1(NS(=O)(=O)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000866820580 655967014 /nfs/dbraw/zinc/96/70/14/655967014.db2.gz VAJBMHAZCMZRJT-UHFFFAOYSA-N 1 0 377.304 1.886 20 0 GDADRO COCCC1(NS(=O)(=O)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000866820677 655967020 /nfs/dbraw/zinc/96/70/20/655967020.db2.gz JXRJIMHRXOLPKU-UHFFFAOYSA-N 1 0 377.304 1.886 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1Cl ZINC000866823134 655967267 /nfs/dbraw/zinc/96/72/67/655967267.db2.gz FQQFSAPFYXIOIS-OLZOCXBDSA-N 1 0 378.903 1.259 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866828200 655967771 /nfs/dbraw/zinc/96/77/71/655967771.db2.gz VRCROXDQJVOYTD-QWHCGFSZSA-N 1 0 392.262 1.806 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000866838670 655968859 /nfs/dbraw/zinc/96/88/59/655968859.db2.gz OHKRVILMBKREJG-ZDUSSCGKSA-N 1 0 388.839 1.961 20 0 GDADRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000866856544 655970839 /nfs/dbraw/zinc/97/08/39/655970839.db2.gz FAFRZNGCKCNFFU-UHFFFAOYSA-N 1 0 376.891 1.080 20 0 GDADRO CC(C)n1ncc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1I ZINC000866921369 655977486 /nfs/dbraw/zinc/97/74/86/655977486.db2.gz RYPLOPMYWQDWPM-CYBMUJFWSA-N 1 0 394.257 1.111 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000866944248 655980215 /nfs/dbraw/zinc/98/02/15/655980215.db2.gz RHLRMZYSKFYTOZ-HOTGVXAUSA-N 1 0 388.555 1.688 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1Br ZINC000867012084 655987085 /nfs/dbraw/zinc/98/70/85/655987085.db2.gz JARUKWIXDAFLDA-GFCCVEGCSA-N 1 0 391.335 1.535 20 0 GDADRO C[NH+](C)CC1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 ZINC000867035497 655989781 /nfs/dbraw/zinc/98/97/81/655989781.db2.gz LRIVQJWFYOIZCW-HSZRJFAPSA-N 1 0 377.507 1.801 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(F)c(Br)c2)CC1 ZINC000867058330 655992146 /nfs/dbraw/zinc/99/21/46/655992146.db2.gz CSNDAEXOSGIKPP-UHFFFAOYSA-N 1 0 395.294 1.934 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000867074307 655993677 /nfs/dbraw/zinc/99/36/77/655993677.db2.gz AUTDFJSFICCWRN-XJFOESAGSA-N 1 0 389.587 1.937 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1cn(C)nc1Br)[NH+]1CCCCC1 ZINC000867095131 655994736 /nfs/dbraw/zinc/99/47/36/655994736.db2.gz YEZZCZOJSJUZGU-LLVKDONJSA-N 1 0 379.324 1.725 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@](C)(O)c2ccccc2Cl)CC1 ZINC000867112629 655996832 /nfs/dbraw/zinc/99/68/32/655996832.db2.gz NEJUJLWWJGDQKA-QGZVFWFLSA-N 1 0 389.949 1.104 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867285652 656031081 /nfs/dbraw/zinc/03/10/81/656031081.db2.gz GADKIEZCODTWGI-ZBFHGGJFSA-N 1 0 394.313 1.960 20 0 GDADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000867308433 656035340 /nfs/dbraw/zinc/03/53/40/656035340.db2.gz JLDLAEDVJGKUSQ-MFKMUULPSA-N 1 0 379.404 1.901 20 0 GDADRO CC[N@@H+]1CCCN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000867395632 656051983 /nfs/dbraw/zinc/05/19/83/656051983.db2.gz OLJRQAHJSMGDTQ-AWEZNQCLSA-N 1 0 375.535 1.599 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCSCCC(F)(F)F)[C@H](C)C1 ZINC000867516617 656074655 /nfs/dbraw/zinc/07/46/55/656074655.db2.gz ANRGHRZNOPUYSH-CHWSQXEVSA-N 1 0 383.480 1.977 20 0 GDADRO CN([C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)CCC[NH+](C)C ZINC000867538879 656080769 /nfs/dbraw/zinc/08/07/69/656080769.db2.gz ZKWNCFIOXMBNTG-NSHDSACASA-N 1 0 391.456 1.655 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(Br)cn3)CC[C@H]21 ZINC000867579269 656087651 /nfs/dbraw/zinc/08/76/51/656087651.db2.gz XVMHTHIUGNADPE-SWLSCSKDSA-N 1 0 395.301 1.403 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)CCOCC(F)(F)F ZINC000867581377 656088164 /nfs/dbraw/zinc/08/81/64/656088164.db2.gz JJTAPVIUGCODNR-UHFFFAOYSA-N 1 0 376.441 1.185 20 0 GDADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000867599616 656091630 /nfs/dbraw/zinc/09/16/30/656091630.db2.gz ALCCPIQFRYRIPP-UHFFFAOYSA-N 1 0 383.290 1.449 20 0 GDADRO CC(C)[NH+]1CCC(CCNS(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000867651712 656099220 /nfs/dbraw/zinc/09/92/20/656099220.db2.gz DXSDEEULDOHPCU-UHFFFAOYSA-N 1 0 379.324 1.961 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000867806711 656119445 /nfs/dbraw/zinc/11/94/45/656119445.db2.gz HTJWLUKXONJPRU-WFASDCNBSA-N 1 0 385.917 1.723 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)cc2C1 ZINC000867812150 656120173 /nfs/dbraw/zinc/12/01/73/656120173.db2.gz UTIJPGAEPUYWPW-HIFRSBDPSA-N 1 0 383.539 1.367 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3cc(F)cc(Cl)c3)CC2)CC1 ZINC000867816519 656120834 /nfs/dbraw/zinc/12/08/34/656120834.db2.gz DBOQUWBGCZUZTD-UHFFFAOYSA-N 1 0 375.897 1.880 20 0 GDADRO Cn1nc(I)cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000867832842 656123075 /nfs/dbraw/zinc/12/30/75/656123075.db2.gz SFHJZSFEVFSNKC-NSHDSACASA-N 1 0 388.253 1.771 20 0 GDADRO COCCc1noc(CN(C)C(=O)[C@@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867951310 656135169 /nfs/dbraw/zinc/13/51/69/656135169.db2.gz HGBAGRDPILZKGH-AWEZNQCLSA-N 1 0 383.246 1.679 20 0 GDADRO COc1cc(I)ccc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000867983164 656136808 /nfs/dbraw/zinc/13/68/08/656136808.db2.gz MBCORTLJVAAFST-SECBINFHSA-N 1 0 388.127 1.919 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1I ZINC000867988010 656137131 /nfs/dbraw/zinc/13/71/31/656137131.db2.gz XIDDHZWIGJTWSY-NXEZZACHSA-N 1 0 380.205 1.580 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@H](C)C2CC[NH2+]CC2)ccc1Cl ZINC000868003515 656137320 /nfs/dbraw/zinc/13/73/20/656137320.db2.gz GUTQLOQHVIQTAA-LLVKDONJSA-N 1 0 389.905 1.640 20 0 GDADRO COC[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)c1cccc(Br)c1 ZINC000868024272 656137747 /nfs/dbraw/zinc/13/77/47/656137747.db2.gz KMCGIKYHDCHTGW-CQSZACIVSA-N 1 0 382.262 1.507 20 0 GDADRO O=C(Nc1cccc(Br)n1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868147836 656142337 /nfs/dbraw/zinc/14/23/37/656142337.db2.gz WFDYIMZFSOZLCP-MXWKQRLJSA-N 1 0 396.245 1.243 20 0 GDADRO O=C(Nc1cc(Br)ccn1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868155460 656142457 /nfs/dbraw/zinc/14/24/57/656142457.db2.gz OVEHFRJZPMPZPM-UTUOFQBUSA-N 1 0 396.245 1.243 20 0 GDADRO CC[N@H+](CCNC(=O)NCc1c(I)cnn1C)C(C)C ZINC000868218902 656144494 /nfs/dbraw/zinc/14/44/94/656144494.db2.gz PFLVJMQKYOVRTP-UHFFFAOYSA-N 1 0 393.273 1.554 20 0 GDADRO O=C(Nc1ccc(Br)c(Br)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000868245127 656145806 /nfs/dbraw/zinc/14/58/06/656145806.db2.gz PLZNRVGLIRPKLO-QMMMGPOBSA-N 1 0 391.063 1.628 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Br)c2)C1 ZINC000868244144 656145808 /nfs/dbraw/zinc/14/58/08/656145808.db2.gz SODBOVGHGLRIBQ-SSDOTTSWSA-N 1 0 391.063 1.710 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000868247140 656146023 /nfs/dbraw/zinc/14/60/23/656146023.db2.gz ZIJORJODOKEMRT-WDEREUQCSA-N 1 0 384.274 1.982 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2OC)CC[C@@H]1[NH3+] ZINC000868249712 656146255 /nfs/dbraw/zinc/14/62/55/656146255.db2.gz VFVNXOBRZQODON-JQWIXIFHSA-N 1 0 384.274 1.982 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)c1 ZINC000868289927 656149234 /nfs/dbraw/zinc/14/92/34/656149234.db2.gz TXYSWRDIGZTUGF-UHFFFAOYSA-N 1 0 382.258 1.879 20 0 GDADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000868290617 656149322 /nfs/dbraw/zinc/14/93/22/656149322.db2.gz PJTGMCWKBNMJIJ-UHFFFAOYSA-N 1 0 396.260 1.960 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868420661 656155145 /nfs/dbraw/zinc/15/51/45/656155145.db2.gz YFUMYYVYLLUQHR-GJZGRUSLSA-N 1 0 380.286 1.760 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)N[C@@H]3CC[C@H]4SCCS[C@H]34)CC2)CC1 ZINC000868457635 656156602 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CC(=O)N[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)c1cccc(Br)c1 ZINC000870945200 656258070 /nfs/dbraw/zinc/25/80/70/656258070.db2.gz PEQYHFYTDNHLQU-VXGBXAGGSA-N 1 0 378.217 1.725 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973559 656259441 /nfs/dbraw/zinc/25/94/41/656259441.db2.gz AHMLQEVFZATZTO-VIRABCJISA-N 1 0 385.917 1.654 20 0 GDADRO O=C(c1cc(Br)ccc1F)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871001633 656259885 /nfs/dbraw/zinc/25/98/85/656259885.db2.gz DQQDBSCCGPIVJE-HONMWMINSA-N 1 0 398.232 1.595 20 0 GDADRO Cc1cc(Br)oc1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871001313 656259914 /nfs/dbraw/zinc/25/99/14/656259914.db2.gz XNPMZHXEQFVMCG-MXWKQRLJSA-N 1 0 384.230 1.358 20 0 GDADRO C[NH+](C)C1(C)CCC(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000871356259 656266021 /nfs/dbraw/zinc/26/60/21/656266021.db2.gz LGINQIPJJBXPRH-UHFFFAOYSA-N 1 0 387.278 1.091 20 0 GDADRO [NH3+]Cc1cnn(Cc2cn(C[C@H](O)c3ccc(Br)cc3)nn2)c1 ZINC000871618385 656274742 /nfs/dbraw/zinc/27/47/42/656274742.db2.gz DUJQFYZLQSRENG-HNNXBMFYSA-N 1 0 377.246 1.478 20 0 GDADRO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CCC[C@H]4C[NH2+]C[C@H]43)cc2N1 ZINC000871808184 656280660 /nfs/dbraw/zinc/28/06/60/656280660.db2.gz VYLNKLRSCXSHFC-SWLSCSKDSA-N 1 0 383.901 1.987 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)CCc2noc3ccccc32)C[C@H]1C(F)(F)F ZINC000871812568 656281550 /nfs/dbraw/zinc/28/15/50/656281550.db2.gz HHCIPGATSAYBFL-CMPLNLGQSA-N 1 0 377.388 1.769 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C ZINC000871812949 656281755 /nfs/dbraw/zinc/28/17/55/656281755.db2.gz FDYBKUNZPMRUIL-ZWNOBZJWSA-N 1 0 380.388 1.539 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc3c2OCCCO3)C[C@@H]1C(F)(F)F ZINC000871813060 656281916 /nfs/dbraw/zinc/28/19/16/656281916.db2.gz OJTXRWQMCLHRLO-QWRGUYRKSA-N 1 0 380.388 1.606 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871813624 656282153 /nfs/dbraw/zinc/28/21/53/656282153.db2.gz VUUIEXBFLCZUAW-NKWVEPMBSA-N 1 0 380.314 1.197 20 0 GDADRO CCOC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000871813705 656282232 /nfs/dbraw/zinc/28/22/32/656282232.db2.gz KFNAMHDCHXSIGV-YPMHNXCESA-N 1 0 380.388 1.621 20 0 GDADRO COc1ccccc1[C@H]1CSCCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000871822702 656283955 /nfs/dbraw/zinc/28/39/55/656283955.db2.gz KTVDCMWBIMLACY-GDBMZVCRSA-N 1 0 386.539 1.493 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c1OC ZINC000871821024 656284051 /nfs/dbraw/zinc/28/40/51/656284051.db2.gz ZJBGRMFBJKHHOD-BBRMVZONSA-N 1 0 387.889 1.271 20 0 GDADRO CN1CCN(C(=O)C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872026984 656318118 /nfs/dbraw/zinc/31/81/18/656318118.db2.gz AGIMWEXKZLKELU-MAUKXSAKSA-N 1 0 396.329 1.890 20 0 GDADRO C[C@]1(c2nc(CC(=O)Nc3ccccc3Br)no2)C[NH2+]CCO1 ZINC000872180494 656319063 /nfs/dbraw/zinc/31/90/63/656319063.db2.gz STEZOULFJGXLIL-OAHLLOKOSA-N 1 0 381.230 1.848 20 0 GDADRO CC(=O)N[C@H](c1nc(N2CC[NH2+]CC2)no1)c1cccc(Br)c1 ZINC000872184868 656319357 /nfs/dbraw/zinc/31/93/57/656319357.db2.gz ZHXPIKMUBZYUSP-ZDUSSCGKSA-N 1 0 380.246 1.467 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]C[C@@H](O)COc3cc(Cl)ccc3Cl)COCCN12 ZINC000872229635 656320537 /nfs/dbraw/zinc/32/05/37/656320537.db2.gz RURWNOKTEXPBFT-MLGOLLRUSA-N 1 0 391.251 1.544 20 0 GDADRO O=C1COC[C@@]2(C[NH2+]C[C@@H](O)c3ccc(Cl)cc3Cl)COCCN12 ZINC000872233041 656320699 /nfs/dbraw/zinc/32/06/99/656320699.db2.gz LRDPDSINRYYQQX-GDBMZVCRSA-N 1 0 375.252 1.244 20 0 GDADRO O=C(c1coc(Br)c1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872259510 656321577 /nfs/dbraw/zinc/32/15/77/656321577.db2.gz VSMLLZHXFPFMSV-NEPJUHHUSA-N 1 0 384.230 1.439 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2cc(O)ccc2Br)C1 ZINC000872256242 656321738 /nfs/dbraw/zinc/32/17/38/656321738.db2.gz QYSJBWNJYSWGBI-DFBGVHRSSA-N 1 0 382.258 1.522 20 0 GDADRO COc1ccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Br ZINC000872254400 656321826 /nfs/dbraw/zinc/32/18/26/656321826.db2.gz CFDNEYCCWOGCBB-XPKDYRNWSA-N 1 0 396.285 1.825 20 0 GDADRO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000872268672 656322027 /nfs/dbraw/zinc/32/20/27/656322027.db2.gz HWTDHIFIVJQGQN-QWHCGFSZSA-N 1 0 385.452 1.572 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000872473346 656336813 /nfs/dbraw/zinc/33/68/13/656336813.db2.gz HONNITXSBNKWOP-HNNXBMFYSA-N 1 0 380.432 1.624 20 0 GDADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC1 ZINC000872476973 656337622 /nfs/dbraw/zinc/33/76/22/656337622.db2.gz CCEBLEWBTQTQMZ-HSZRJFAPSA-N 1 0 382.596 1.133 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872510409 656344941 /nfs/dbraw/zinc/34/49/41/656344941.db2.gz SAVURLTVXQVDIK-QHCPKHFHSA-N 1 0 383.580 1.418 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000872663491 656371966 /nfs/dbraw/zinc/37/19/66/656371966.db2.gz DGSGPZLCVKRMTI-GJZGRUSLSA-N 1 0 385.917 1.865 20 0 GDADRO CN1C(=O)[C@H]2C[N@H+](Cn3ccc(=O)c4cccc(Br)c43)C[C@H]2C1=O ZINC000872714466 656375045 /nfs/dbraw/zinc/37/50/45/656375045.db2.gz OWGUQYRKRJHLCD-TXEJJXNPSA-N 1 0 390.237 1.268 20 0 GDADRO CC1CC[NH+]([C@@H](CNC(=O)N(C)CCS(N)(=O)=O)c2cccs2)CC1 ZINC000872792489 656377277 /nfs/dbraw/zinc/37/72/77/656377277.db2.gz UYBIAYVRCSYBQQ-AWEZNQCLSA-N 1 0 388.559 1.451 20 0 GDADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cccc(F)c2I)C1 ZINC000873008106 656383828 /nfs/dbraw/zinc/38/38/28/656383828.db2.gz FKVDNSVZVXXGPQ-VIFPVBQESA-N 1 0 383.226 1.955 20 0 GDADRO COc1ccc(Cl)c(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873105492 656386384 /nfs/dbraw/zinc/38/63/84/656386384.db2.gz XLNQYRFOUSCRMG-SCZZXKLOSA-N 1 0 379.766 1.883 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)n2)C[C@H]1C(F)(F)F ZINC000873106267 656386589 /nfs/dbraw/zinc/38/65/89/656386589.db2.gz HGEBSFPSQCAJMH-JGVFFNPUSA-N 1 0 395.179 1.378 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(Cl)n1 ZINC000873108324 656386841 /nfs/dbraw/zinc/38/68/41/656386841.db2.gz XBIDASXYONLYNO-SFYZADRCSA-N 1 0 380.754 1.278 20 0 GDADRO CC(C)(C)c1cnc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)s1 ZINC000873108401 656387135 /nfs/dbraw/zinc/38/71/35/656387135.db2.gz XQXSEMUEKVMSMJ-RKDXNWHRSA-N 1 0 378.420 1.975 20 0 GDADRO O=S1(=O)CC(CC[NH2+]Cc2cccc(F)c2I)C1 ZINC000873113206 656387319 /nfs/dbraw/zinc/38/73/19/656387319.db2.gz UMFOMVCTGFCYJS-UHFFFAOYSA-N 1 0 383.226 1.955 20 0 GDADRO Cc1ccc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1S(C)(=O)=O ZINC000873313945 656390435 /nfs/dbraw/zinc/39/04/35/656390435.db2.gz IWUYSIHDQUZSJX-CMPLNLGQSA-N 1 0 379.404 1.999 20 0 GDADRO C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC000921744984 656404720 /nfs/dbraw/zinc/40/47/20/656404720.db2.gz QTZKYBCTNMDDAL-GJZGRUSLSA-N 1 0 377.551 1.751 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000873731929 656408908 /nfs/dbraw/zinc/40/89/08/656408908.db2.gz CHKWRXMLOSFTGI-CYBMUJFWSA-N 1 0 394.269 1.869 20 0 GDADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2nc(Br)c[nH]2)[C@H](C)C1 ZINC000921801166 656413501 /nfs/dbraw/zinc/41/35/01/656413501.db2.gz QVLNIWKKNDRSJF-MNOVXSKESA-N 1 0 379.324 1.710 20 0 GDADRO CCn1ncc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1Br ZINC000874065186 656439827 /nfs/dbraw/zinc/43/98/27/656439827.db2.gz XMXRMVWVOMEYST-UHFFFAOYSA-N 1 0 385.306 1.850 20 0 GDADRO C[N@H+](CCNC(=O)c1cc(Cl)c(F)cc1Br)CCOCCO ZINC000922113312 656457091 /nfs/dbraw/zinc/45/70/91/656457091.db2.gz KXTPDTCPDKLSQY-UHFFFAOYSA-N 1 0 397.672 1.912 20 0 GDADRO C[N@H+](CCNC(=O)c1cc(Cl)cc(F)c1Br)CCOCCO ZINC000922117687 656457503 /nfs/dbraw/zinc/45/75/03/656457503.db2.gz UDBGQLXXTAFATB-UHFFFAOYSA-N 1 0 397.672 1.912 20 0 GDADRO C[N@H+](CCNC(=O)c1cc(Cl)ccc1Br)CCOCCO ZINC000922123095 656458355 /nfs/dbraw/zinc/45/83/55/656458355.db2.gz GSQWSKSSJAOMAR-UHFFFAOYSA-N 1 0 379.682 1.773 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CCO[C@H]1c1cn[nH]c1 ZINC000922287022 656466320 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CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(S(C)(=O)=O)s1)C2 ZINC000926146320 656738498 /nfs/dbraw/zinc/73/84/98/656738498.db2.gz UPSQQDYLOHRTOV-BKBUGSPTSA-N 1 0 386.539 1.361 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)C2 ZINC000926195121 656740771 /nfs/dbraw/zinc/74/07/71/656740771.db2.gz DHEDBFYEQHYOSF-AFCCXKIYSA-N 1 0 387.735 1.704 20 0 GDADRO CCn1ncc(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1Br ZINC000926194408 656740879 /nfs/dbraw/zinc/74/08/79/656740879.db2.gz ALKHFWZEQLHWLU-WVZRYYJFSA-N 1 0 399.333 1.875 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2cscc2Br)CC[C@@H]1C[NH3+] ZINC000926404887 656753144 /nfs/dbraw/zinc/75/31/44/656753144.db2.gz LHDDTMGALKMQCI-WDEREUQCSA-N 1 0 388.331 1.912 20 0 GDADRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926434133 656754696 /nfs/dbraw/zinc/75/46/96/656754696.db2.gz XHLFXPZPGXRTFS-JTQLQIEISA-N 1 0 392.257 1.916 20 0 GDADRO 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CN(C)[S@](=O)(=NS(=O)(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000881773009 656954720 /nfs/dbraw/zinc/95/47/20/656954720.db2.gz MRAMDSHKVVLMNR-XMMPIXPASA-N 1 0 386.543 1.451 20 0 GDADRO CC(C)(C)[NH2+]CCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000929358800 656963008 /nfs/dbraw/zinc/96/30/08/656963008.db2.gz KWKUFFDJWCKQRD-UHFFFAOYSA-N 1 0 387.933 1.951 20 0 GDADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000929482546 656969106 /nfs/dbraw/zinc/96/91/06/656969106.db2.gz ZMQZYIZFKKYIFH-DZGCQCFKSA-N 1 0 375.535 1.646 20 0 GDADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000929482547 656969191 /nfs/dbraw/zinc/96/91/91/656969191.db2.gz ZMQZYIZFKKYIFH-HIFRSBDPSA-N 1 0 375.535 1.646 20 0 GDADRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881856301 656973042 /nfs/dbraw/zinc/97/30/42/656973042.db2.gz GLSPPJUVMBWXHZ-HSZRJFAPSA-N 1 0 376.548 1.389 20 0 GDADRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)N=[S@](C)(=O)N(C)C)c1ccccc1 ZINC000881859852 656974428 /nfs/dbraw/zinc/97/44/28/656974428.db2.gz FIPGMALFTWMVLC-NPMABZOXSA-N 1 0 376.548 1.525 20 0 GDADRO Cc1c(Br)cccc1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000929750014 656982649 /nfs/dbraw/zinc/98/26/49/656982649.db2.gz VUITWTIYHLJFJL-AWEZNQCLSA-N 1 0 394.313 1.769 20 0 GDADRO C[S@@](=O)(=NS(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO)C1CCCCC1 ZINC000881920112 656993581 /nfs/dbraw/zinc/99/35/81/656993581.db2.gz GTWANATUBKZERB-OWJWWREXSA-N 1 0 395.591 1.488 20 0 GDADRO NS(=O)(=O)C1CC[NH+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000930118507 657001510 /nfs/dbraw/zinc/00/15/10/657001510.db2.gz KZAKPGGGNRCAHG-SWLSCSKDSA-N 1 0 378.416 1.922 20 0 GDADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930169198 657005178 /nfs/dbraw/zinc/00/51/78/657005178.db2.gz WXGVNWIJHDYOCK-WBMJQRKESA-N 1 0 389.290 1.494 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000930266667 657011311 /nfs/dbraw/zinc/01/13/11/657011311.db2.gz NAKPWJJEEQUFKR-VWLOTQADSA-N 1 0 379.404 1.892 20 0 GDADRO CNS(=O)(=O)NC1CC[NH+](CCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000930283574 657012194 /nfs/dbraw/zinc/01/21/94/657012194.db2.gz JXCCBDNLYZUFCS-UHFFFAOYSA-N 1 0 375.535 1.407 20 0 GDADRO CN(C)[S@@](=O)(=NS(=O)(=O)N1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000882030256 657024441 /nfs/dbraw/zinc/02/44/41/657024441.db2.gz QQUXHNOFBMIZEX-DEOSSOPVSA-N 1 0 388.559 1.509 20 0 GDADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N=[S@](C)(=O)N(C)C)CC1 ZINC000882056544 657032208 /nfs/dbraw/zinc/03/22/08/657032208.db2.gz YGPCVGAVOHULHJ-QHCPKHFHSA-N 1 0 382.596 1.640 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000882103109 657043291 /nfs/dbraw/zinc/04/32/91/657043291.db2.gz YBQJDEJEOGJJSI-CHWSQXEVSA-N 1 0 379.404 1.948 20 0 GDADRO COC(=O)c1cc(Br)c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1OC ZINC000930888424 657057689 /nfs/dbraw/zinc/05/76/89/657057689.db2.gz NMVXRUSMZWTKIR-QWHCGFSZSA-N 1 0 399.285 1.495 20 0 GDADRO C[C@@H]1COC[C@H]1NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 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Cc1c(Br)cccc1CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000932224345 657163378 /nfs/dbraw/zinc/16/33/78/657163378.db2.gz OJZYSWKFKSMQGH-UHFFFAOYSA-N 1 0 384.318 1.826 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3cc(Br)cc4c3NC(=O)CO4)[C@H]2C1 ZINC000932432880 657184731 /nfs/dbraw/zinc/18/47/31/657184731.db2.gz NVHIITFYEVIXDE-SKDRFNHKSA-N 1 0 395.257 1.948 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000932527322 657194483 /nfs/dbraw/zinc/19/44/83/657194483.db2.gz SSRDBAFWOZYWFN-OCCSQVGLSA-N 1 0 395.301 1.237 20 0 GDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(Br)[nH]c3=O)C2)CC1 ZINC000932623470 657203709 /nfs/dbraw/zinc/20/37/09/657203709.db2.gz YDFCBSQHTFCSNG-NSHDSACASA-N 1 0 383.290 1.448 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000932679438 657208273 /nfs/dbraw/zinc/20/82/73/657208273.db2.gz XLFJWHIXOQXLDO-UHFFFAOYSA-N 1 0 385.306 1.704 20 0 GDADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(=O)[nH]cc1Br ZINC000932697962 657210913 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NS(=O)(=O)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000932960664 657240466 /nfs/dbraw/zinc/24/04/66/657240466.db2.gz JYPAWXUINJJJIO-YPMHNXCESA-N 1 0 382.404 1.056 20 0 GDADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000883070602 657267336 /nfs/dbraw/zinc/26/73/36/657267336.db2.gz WKOLLHVPFKZDMA-LBPRGKRZSA-N 1 0 377.316 1.696 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ncc(I)s1 ZINC000883084342 657268446 /nfs/dbraw/zinc/26/84/46/657268446.db2.gz ORPADQZTEWPACN-RKDXNWHRSA-N 1 0 393.250 1.341 20 0 GDADRO C[C@@H](NC(=O)c1cc2cc(Br)cnc2n1C)[C@@H]1C[N@H+](C)CCN1C ZINC000933387921 657275186 /nfs/dbraw/zinc/27/51/86/657275186.db2.gz PUDZKBWTMOGWJB-ABAIWWIYSA-N 1 0 394.317 1.700 20 0 GDADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C)[C@H]1CCCOC1 ZINC000883222017 657278342 /nfs/dbraw/zinc/27/83/42/657278342.db2.gz LQADKULJEHWILF-HOCLYGCPSA-N 1 0 390.933 1.958 20 0 GDADRO C[N@H+](C[C@H]1CCN1C(=O)OC(C)(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000933469196 657282975 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C[NH+](C)C[C@@H](CO)NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000935981970 657534421 /nfs/dbraw/zinc/53/44/21/657534421.db2.gz UZICMXBDBXRORP-ZDUSSCGKSA-N 1 0 381.274 1.346 20 0 GDADRO C[C@](O)(C(=O)N[C@H](CO)C[NH+]1CCCC1)c1ccc(F)c(Br)c1 ZINC000935984341 657535361 /nfs/dbraw/zinc/53/53/61/657535361.db2.gz IQMAHJUAWNYFIQ-BLLLJJGKSA-N 1 0 389.265 1.369 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccsc2C(F)F)CC1=O ZINC000936010184 657541280 /nfs/dbraw/zinc/54/12/80/657541280.db2.gz HZCAAVRQAZHOCW-NSHDSACASA-N 1 0 375.441 1.595 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccsc2C(F)F)CC1=O ZINC000936010180 657541348 /nfs/dbraw/zinc/54/13/48/657541348.db2.gz HZCAAVRQAZHOCW-LLVKDONJSA-N 1 0 375.441 1.595 20 0 GDADRO COC(=O)c1cncc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c1 ZINC000886553725 657674596 /nfs/dbraw/zinc/67/45/96/657674596.db2.gz UHABJSZIKJINAY-LBPRGKRZSA-N 1 0 383.495 1.867 20 0 GDADRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000886602512 657677875 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[NH3+]CCCN(CC(F)(F)F)S(=O)(=O)Cc1ccc(-n2cccn2)cc1 ZINC000886889279 657718992 /nfs/dbraw/zinc/71/89/92/657718992.db2.gz OCBYTCCPPKIMSC-UHFFFAOYSA-N 1 0 376.404 1.915 20 0 GDADRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000886890369 657719775 /nfs/dbraw/zinc/71/97/75/657719775.db2.gz GOVDBSTWWGKWPT-NSHDSACASA-N 1 0 391.287 1.608 20 0 GDADRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000886892060 657720386 /nfs/dbraw/zinc/72/03/86/657720386.db2.gz PARGCZJRUUAROV-SNVBAGLBSA-N 1 0 386.417 1.353 20 0 GDADRO [NH3+]CCN(Cc1cccc(Cl)c1)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000886894452 657721947 /nfs/dbraw/zinc/72/19/47/657721947.db2.gz PDVCLUAAAUAGLM-AWEZNQCLSA-N 1 0 394.946 1.255 20 0 GDADRO CCOC(=O)c1cc(F)cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000886897552 657724187 /nfs/dbraw/zinc/72/41/87/657724187.db2.gz AGLKHZOLFBJRGL-NSHDSACASA-N 1 0 380.388 1.526 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1F ZINC000886900739 657726414 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[NH3+]CC1(NC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CCOCC1 ZINC000892323537 658318006 /nfs/dbraw/zinc/31/80/06/658318006.db2.gz WCMKIPUMBAKFOP-VHDGCEQUSA-N 1 0 380.286 1.894 20 0 GDADRO COCCCNC(=O)[C@@H](C)N1CCN(c2cc[nH+]c(C)c2Br)CC1 ZINC000892327226 658318740 /nfs/dbraw/zinc/31/87/40/658318740.db2.gz JSLHLXZWHPGVNJ-CQSZACIVSA-N 1 0 399.333 1.816 20 0 GDADRO CN1CCN(C(=O)NCCc2ccccc2Br)CC[N@H+](C)CC1 ZINC000892505162 658329912 /nfs/dbraw/zinc/32/99/12/658329912.db2.gz NDVZXLBPEVJYKQ-UHFFFAOYSA-N 1 0 383.334 1.880 20 0 GDADRO CC(C)(C)n1nc(Br)c2c1ncnc2N1CCC([NH3+])(CO)CC1 ZINC000892530908 658331543 /nfs/dbraw/zinc/33/15/43/658331543.db2.gz BGQNNPGIXGZXRG-UHFFFAOYSA-N 1 0 383.294 1.634 20 0 GDADRO CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+]C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000892653768 658339428 /nfs/dbraw/zinc/33/94/28/658339428.db2.gz MUCCZSWQXJRLHO-BLLLJJGKSA-N 1 0 390.322 1.829 20 0 GDADRO COCCNS(=O)(=O)c1ccc(C[NH2+]C[C@H]2C[C@@]2(C)Br)cc1 ZINC000892711721 658344969 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CC(C)(C)OC(=O)NCC1CC([NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)C1 ZINC000894261128 658530132 /nfs/dbraw/zinc/53/01/32/658530132.db2.gz FHRGXCIKKLICJV-OOJKYFRXSA-N 1 0 375.535 1.597 20 0 GDADRO COCCOC[C@@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000894289943 658534196 /nfs/dbraw/zinc/53/41/96/658534196.db2.gz KORYUZAMYQTCCP-LLVKDONJSA-N 1 0 392.237 1.871 20 0 GDADRO CN(CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cccs1 ZINC000894359711 658544431 /nfs/dbraw/zinc/54/44/31/658544431.db2.gz RBNJSMNEVLLCNZ-UHFFFAOYSA-N 1 0 389.543 1.825 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000894696552 658599387 /nfs/dbraw/zinc/59/93/87/658599387.db2.gz YQVIUTYBCBOQRQ-PBHICJAKSA-N 1 0 377.551 1.941 20 0 GDADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H]2[C@H](C(=O)OC)C2(F)F)s1 ZINC000894756556 658608415 /nfs/dbraw/zinc/60/84/15/658608415.db2.gz AWBSEXVBNKTBRN-PKIKSRDPSA-N 1 0 376.429 1.708 20 0 GDADRO CCC1([NH+]2CCOCC2)CCN(c2nc(Cl)ccc2S(N)(=O)=O)CC1 ZINC000894809781 658618150 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C[C@@H]([NH2+]Cc1cnc(Br)cn1)C1CCN(S(C)(=O)=O)CC1 ZINC000895642905 658717045 /nfs/dbraw/zinc/71/70/45/658717045.db2.gz ACLMJLMNDXILLE-SNVBAGLBSA-N 1 0 377.308 1.389 20 0 GDADRO CCO/C=C\[C@](O)(C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)C(F)(F)F ZINC000895716130 658723832 /nfs/dbraw/zinc/72/38/32/658723832.db2.gz GUVLZWVUTMQRML-CKXPSTMWSA-N 1 0 388.452 1.670 20 0 GDADRO Cn1cc(C[NH2+]C[C@H](O)Cc2ccccc2F)c(I)n1 ZINC000895747103 658725509 /nfs/dbraw/zinc/72/55/09/658725509.db2.gz BBCGKLFRAMOLIA-GFCCVEGCSA-N 1 0 389.212 1.857 20 0 GDADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C[C@H]1C(F)(F)F ZINC000895838514 658733257 /nfs/dbraw/zinc/73/32/57/658733257.db2.gz BIISHRCPHCSXHP-IJLUTSLNSA-N 1 0 388.452 1.801 20 0 GDADRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)C1(F)F ZINC000896275658 658763068 /nfs/dbraw/zinc/76/30/68/658763068.db2.gz CGDGOXMFPYPBFH-UONOGXRCSA-N 1 0 376.425 1.222 20 0 GDADRO CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000896460052 658780609 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20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000896980426 658816150 /nfs/dbraw/zinc/81/61/50/658816150.db2.gz CIFQNGLKEZYNAT-UHFFFAOYSA-N 1 0 385.306 1.557 20 0 GDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1nn2c(c1Br)CCC2 ZINC000896979285 658816342 /nfs/dbraw/zinc/81/63/42/658816342.db2.gz OHIVIWCAVQNMEV-GFCCVEGCSA-N 1 0 383.290 1.575 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3c[nH]nc3I)C2)CC1 ZINC000897219402 658832690 /nfs/dbraw/zinc/83/26/90/658832690.db2.gz YUVKBRYSOSLTAV-LLVKDONJSA-N 1 0 388.253 1.818 20 0 GDADRO Cn1cc(Br)c(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cc1=O ZINC000897319366 658842594 /nfs/dbraw/zinc/84/25/94/658842594.db2.gz HHKZXJGNXNCZIO-UHFFFAOYSA-N 1 0 395.257 1.736 20 0 GDADRO O=C(NCc1cscc1Cl)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000897419716 658851680 /nfs/dbraw/zinc/85/16/80/658851680.db2.gz FTJZZFDWDZAJSO-AWEZNQCLSA-N 1 0 385.917 1.777 20 0 GDADRO O=C(NC[C@@H](CO)Cc1ccccc1Br)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897565569 658865300 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O=C(NCc1ncc(Br)cn1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000898381958 658930131 /nfs/dbraw/zinc/93/01/31/658930131.db2.gz PTBQIPXTIBOGOH-CQSZACIVSA-N 1 0 398.305 1.682 20 0 GDADRO O=C(c1cccn2c(I)cnc12)N1CC([NH+]2CCCC2)C1 ZINC000898609827 658942145 /nfs/dbraw/zinc/94/21/45/658942145.db2.gz PDTQBLVXEFFQFE-UHFFFAOYSA-N 1 0 396.232 1.859 20 0 GDADRO COc1ccc(C(=O)N2CC([NH+]3CCCC3)C2)nc1I ZINC000898608396 658942179 /nfs/dbraw/zinc/94/21/79/658942179.db2.gz RSLJPUJZHGOYOK-UHFFFAOYSA-N 1 0 387.221 1.615 20 0 GDADRO O=C(N[C@@H]1COc2cccc(Br)c2C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899182338 658992086 /nfs/dbraw/zinc/99/20/86/658992086.db2.gz XXBSEOHDQXUOSU-QWHCGFSZSA-N 1 0 381.270 1.590 20 0 GDADRO O=C(N1CCC(CO)([NH2+]CC2CC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000899211077 658995405 /nfs/dbraw/zinc/99/54/05/658995405.db2.gz BPPFRMAATIXPGX-UHFFFAOYSA-N 1 0 397.317 1.488 20 0 GDADRO CCS(=O)(=O)c1ccccc1CCNC(=S)NCC1CC[NH+](C)CC1 ZINC000899557884 659029118 /nfs/dbraw/zinc/02/91/18/659029118.db2.gz XBAZLTGTDOQSFI-UHFFFAOYSA-N 1 0 383.583 1.829 20 0 GDADRO O=S1(=O)CC[C@@H](c2nc(-c3cn(C[C@@H]4CCCC[NH2+]C4)nn3)cs2)C1 ZINC000899755768 659059243 /nfs/dbraw/zinc/05/92/43/659059243.db2.gz YNGPKEQDJZGWHI-CHWSQXEVSA-N 1 0 381.527 1.693 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)CN2CSCCSC2)cc1 ZINC000900177961 659089318 /nfs/dbraw/zinc/08/93/18/659089318.db2.gz XNHZMFXLVTZPKN-UHFFFAOYSA-N 1 0 382.555 1.614 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ncc(Br)cn2n1 ZINC000900581439 659124125 /nfs/dbraw/zinc/12/41/25/659124125.db2.gz XTSSYAJOLJZEIV-LBPRGKRZSA-N 1 0 382.262 1.332 20 0 GDADRO NS(=O)(=O)c1ccc(SCC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000900619011 659127803 /nfs/dbraw/zinc/12/78/03/659127803.db2.gz NAQWYRMNBQZOCN-AWEZNQCLSA-N 1 0 383.539 1.513 20 0 GDADRO CC(C)C[C@@H](CNC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)[NH+](C)C ZINC000900683438 659136210 /nfs/dbraw/zinc/13/62/10/659136210.db2.gz ABSSIUUVGGZLDT-ZFWWWQNUSA-N 1 0 387.571 1.680 20 0 GDADRO C[NH+](C)CCn1nccc1C(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000901299321 659208892 /nfs/dbraw/zinc/20/88/92/659208892.db2.gz PKHJFTYUVLUNIP-AWEZNQCLSA-N 1 0 381.274 1.671 20 0 GDADRO CCO[C@H](CN[C@H](C(N)=O)c1ccc(Br)cc1F)C[NH+](C)C ZINC000901591601 659222365 /nfs/dbraw/zinc/22/23/65/659222365.db2.gz ANAKNBXNFKQYLB-RISCZKNCSA-N 1 0 376.270 1.671 20 0 GDADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000901608161 659223227 /nfs/dbraw/zinc/22/32/27/659223227.db2.gz VMVZXLXYXJYURY-AWEZNQCLSA-N 1 0 381.249 1.960 20 0 GDADRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901730391 659231886 /nfs/dbraw/zinc/23/18/86/659231886.db2.gz WJWUSRMFANDTGT-ZYHUDNBSSA-N 1 0 395.305 1.928 20 0 GDADRO CC[NH+]1CCC(NC(=O)CN(CCc2cccs2)S(=O)(=O)CC)CC1 ZINC000902319163 659251977 /nfs/dbraw/zinc/25/19/77/659251977.db2.gz VNWNBIUOERQRFG-UHFFFAOYSA-N 1 0 387.571 1.543 20 0 GDADRO CN(CC[NH2+]Cc1c(Br)c2ccccc2n1C)CCOCCO ZINC000902645311 659270266 /nfs/dbraw/zinc/27/02/66/659270266.db2.gz SXXRXXNJTYGDQP-UHFFFAOYSA-N 1 0 384.318 1.971 20 0 GDADRO C[C@H]1[C@H]([NH2+]CCCN2CCCS2(=O)=O)CCCN1C(=O)OC(C)(C)C ZINC000902857604 659282349 /nfs/dbraw/zinc/28/23/49/659282349.db2.gz TUNAXUFAZXLDGL-LSDHHAIUSA-N 1 0 375.535 1.790 20 0 GDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NS(=O)(=O)N=S(C)(C)=O ZINC000903095560 659294878 /nfs/dbraw/zinc/29/48/78/659294878.db2.gz WTUMNTOFBGNECW-UHFFFAOYSA-N 1 0 390.531 1.221 20 0 GDADRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903132828 659296337 /nfs/dbraw/zinc/29/63/37/659296337.db2.gz YYARTGPAJADNTP-NSHDSACASA-N 1 0 380.388 1.490 20 0 GDADRO CC[NH+]1CCN(c2ccc(NS(=O)(=O)N=S(C)(C)=O)cc2F)CC1 ZINC000903197625 659301083 /nfs/dbraw/zinc/30/10/83/659301083.db2.gz RDKUUZBFIRGIOC-UHFFFAOYSA-N 1 0 378.495 1.352 20 0 GDADRO C[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000903230146 659308189 /nfs/dbraw/zinc/30/81/89/659308189.db2.gz WDNMIWQSAQGMEO-CQSZACIVSA-N 1 0 391.559 1.335 20 0 GDADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN3CCSC[C@@H]13)CCC2 ZINC000903271710 659311807 /nfs/dbraw/zinc/31/18/07/659311807.db2.gz LAHSPZIDKNMACD-KURKYZTESA-N 1 0 381.567 1.881 20 0 GDADRO CO[C@]1(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CCS(=O)(=O)C1 ZINC000903369680 659314756 /nfs/dbraw/zinc/31/47/56/659314756.db2.gz ZOBMCNNQXHERKJ-ABAIWWIYSA-N 1 0 379.475 1.084 20 0 GDADRO C[C@H]([NH2+]CCOC1CCSCC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000903446939 659315603 /nfs/dbraw/zinc/31/56/03/659315603.db2.gz YVULHOSNATYMSU-ZDUSSCGKSA-N 1 0 386.539 1.508 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000903493227 659317766 /nfs/dbraw/zinc/31/77/66/659317766.db2.gz PSGJIQCFWHDLOU-VYHVBIQSSA-N 1 0 396.285 1.188 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(I)s2)C1 ZINC000903491300 659318033 /nfs/dbraw/zinc/31/80/33/659318033.db2.gz DDZGCKHCJOWNKC-SFYZADRCSA-N 1 0 386.280 1.901 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(I)s2)C1 ZINC000903491299 659318057 /nfs/dbraw/zinc/31/80/57/659318057.db2.gz DDZGCKHCJOWNKC-JGVFFNPUSA-N 1 0 386.280 1.901 20 0 GDADRO CCC(=O)N1CCc2ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc21 ZINC000903508992 659320397 /nfs/dbraw/zinc/32/03/97/659320397.db2.gz BODYZDYOFUCWRP-ZDUSSCGKSA-N 1 0 379.404 1.496 20 0 GDADRO COc1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1OC ZINC000903512472 659322115 /nfs/dbraw/zinc/32/21/15/659322115.db2.gz WGGRGYIZPHDWSF-GHMZBOCLSA-N 1 0 382.404 1.852 20 0 GDADRO O=S(=O)(Cc1cccc(Cl)c1Br)NC[C@@H]1C[NH2+]CCCO1 ZINC000903522930 659328720 /nfs/dbraw/zinc/32/87/20/659328720.db2.gz ZBARTWBPYYWWBD-NSHDSACASA-N 1 0 397.722 1.900 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000903534996 659331873 /nfs/dbraw/zinc/33/18/73/659331873.db2.gz KWCWQPGHVRKGDF-PWSUYJOCSA-N 1 0 380.919 1.018 20 0 GDADRO CCOc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000903535717 659332390 /nfs/dbraw/zinc/33/23/90/659332390.db2.gz QUIVHQQZAXFSJG-MNOVXSKESA-N 1 0 377.304 1.982 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903543025 659334693 /nfs/dbraw/zinc/33/46/93/659334693.db2.gz OBNGKWLWWSNRGI-UHFFFAOYSA-N 1 0 377.304 1.886 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cnc1Cl ZINC000903544515 659335157 /nfs/dbraw/zinc/33/51/57/659335157.db2.gz URLFOZKFEWQDFN-NSHDSACASA-N 1 0 375.878 1.181 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cnccc1C(F)(F)F ZINC000903544692 659335666 /nfs/dbraw/zinc/33/56/66/659335666.db2.gz GIBUYEWVQISGQR-NSHDSACASA-N 1 0 379.404 1.537 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1OC(F)F ZINC000903545654 659336216 /nfs/dbraw/zinc/33/62/16/659336216.db2.gz ZXDZCMDSZWIECP-GFCCVEGCSA-N 1 0 376.425 1.725 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c(Br)n1 ZINC000903545975 659336234 /nfs/dbraw/zinc/33/62/34/659336234.db2.gz DIXUWEBIANGWKC-GFCCVEGCSA-N 1 0 391.335 1.855 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1OC ZINC000903548598 659337213 /nfs/dbraw/zinc/33/72/13/659337213.db2.gz HOJZCPAGBAELIM-GHMZBOCLSA-N 1 0 389.905 1.232 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000903549270 659337795 /nfs/dbraw/zinc/33/77/95/659337795.db2.gz IEADYPWWTPJAMQ-UHFFFAOYSA-N 1 0 388.511 1.376 20 0 GDADRO CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000903554192 659339491 /nfs/dbraw/zinc/33/94/91/659339491.db2.gz JLMUQIGZWOSKSQ-LBPRGKRZSA-N 1 0 379.404 1.255 20 0 GDADRO COc1cc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(OC)cc1Br ZINC000903560429 659340840 /nfs/dbraw/zinc/34/08/40/659340840.db2.gz DFAPPYAHXLHWMF-JMJZKYOTSA-N 1 0 391.287 1.638 20 0 GDADRO C[C@]1(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1(Cl)Cl ZINC000903562175 659341757 /nfs/dbraw/zinc/34/17/57/659341757.db2.gz FYFRAFMMIDKPQI-QLFBSQMISA-N 1 0 396.384 1.801 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)NCCN2CCC([NH3+])CC2)c1 ZINC000903566059 659343424 /nfs/dbraw/zinc/34/34/24/659343424.db2.gz YPSVQNLBFPIIHU-UHFFFAOYSA-N 1 0 392.319 1.159 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]2CCCCC[NH2+]2)s1 ZINC000903566818 659343991 /nfs/dbraw/zinc/34/39/91/659343991.db2.gz HOLCNALNXWFNNV-LBPRGKRZSA-N 1 0 375.516 1.457 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C[C@H]1C(F)(F)F ZINC000903570307 659344205 /nfs/dbraw/zinc/34/42/05/659344205.db2.gz ZGUNUZJEHVEGON-VXGBXAGGSA-N 1 0 377.388 1.472 20 0 GDADRO C[NH2+]CCN(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000903570720 659344595 /nfs/dbraw/zinc/34/45/95/659344595.db2.gz ZMZLRJSVOHMWEW-OAHLLOKOSA-N 1 0 387.571 1.194 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC[C@@H]1C(F)(F)F ZINC000903578628 659349618 /nfs/dbraw/zinc/34/96/18/659349618.db2.gz JAAMGLORCFJGJW-NWDGAFQWSA-N 1 0 376.356 1.693 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)CC[C@@H]1C(F)(F)F ZINC000903579906 659350553 /nfs/dbraw/zinc/35/05/53/659350553.db2.gz RDEXDVAIQVXDFT-NKWVEPMBSA-N 1 0 377.182 1.942 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000903590000 659355914 /nfs/dbraw/zinc/35/59/14/659355914.db2.gz SKDGBNYJLYXSPT-GXFFZTMASA-N 1 0 398.428 1.482 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1ccc(I)cc1 ZINC000903592846 659356588 /nfs/dbraw/zinc/35/65/88/659356588.db2.gz SRDBRBAOEYXPCF-GXFFZTMASA-N 1 0 392.262 1.793 20 0 GDADRO O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[C@]12CC[NH2+]C2 ZINC000903593164 659357181 /nfs/dbraw/zinc/35/71/81/659357181.db2.gz KLTNKCQUGFBKAV-CYBMUJFWSA-N 1 0 398.428 1.497 20 0 GDADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000903638266 659366030 /nfs/dbraw/zinc/36/60/30/659366030.db2.gz BRGMGYIYQRQCJR-OWJWWREXSA-N 1 0 390.575 1.879 20 0 GDADRO CCN(CCc1cccs1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903723488 659378159 /nfs/dbraw/zinc/37/81/59/659378159.db2.gz GGNGVAOMHCYVDC-STQMWFEESA-N 1 0 377.432 1.877 20 0 GDADRO CC1([NH3+])CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)CC1 ZINC000903791180 659380512 /nfs/dbraw/zinc/38/05/12/659380512.db2.gz 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ZINC001164797107 721518092 /nfs/dbraw/zinc/51/80/92/721518092.db2.gz GQDKYDUQXJXUHU-UHFFFAOYSA-N 1 0 396.543 1.431 20 0 GDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(N3CCCCC3)nn2)CC1 ZINC001165009506 721729056 /nfs/dbraw/zinc/72/90/56/721729056.db2.gz YCYXPISJWZXSFY-UHFFFAOYSA-N 1 0 386.544 1.990 20 0 GDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(C(=O)N3CCCC3)ccn2)CC1 ZINC001165009294 721741519 /nfs/dbraw/zinc/74/15/19/721741519.db2.gz AZSPIBMEFWGELY-UHFFFAOYSA-N 1 0 399.539 1.841 20 0 GDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2[C@H](F)Oc2ccc(Cl)nn2)CC1 ZINC001165013319 721750966 /nfs/dbraw/zinc/75/09/66/721750966.db2.gz XVOCWFGWHLDPBZ-INIZCTEOSA-N 1 0 385.871 1.781 20 0 GDADRO Cn1cc(C(=O)N[C@H]2CN(c3cc(C[NH+](C)C)ccn3)[C@@H]3CCCO[C@H]32)cn1 ZINC001165013452 721758295 /nfs/dbraw/zinc/75/82/95/721758295.db2.gz LXVRNRMDSXMGRO-SCTDSRPQSA-N 1 0 384.484 1.043 20 0 GDADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncccc1S(=O)(=O)N1CCCC1 ZINC001164926720 721872313 /nfs/dbraw/zinc/87/23/13/721872313.db2.gz 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NC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164961214 722052621 /nfs/dbraw/zinc/05/26/21/722052621.db2.gz WGIWBHKUJNFUFB-UHFFFAOYSA-N 1 0 381.480 1.695 20 0 GDADRO NC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164958694 722054398 /nfs/dbraw/zinc/05/43/98/722054398.db2.gz FCHWSKQSWHIYNL-UHFFFAOYSA-N 1 0 381.480 1.695 20 0 GDADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H]3CCN4C(=O)c3cscn3)n2)CC1 ZINC001164966368 722064944 /nfs/dbraw/zinc/06/49/44/722064944.db2.gz RPUIJWDQRRZYJS-DLBZAZTESA-N 1 0 398.536 1.783 20 0 GDADRO CCOC(=O)Cc1c(Cl)ncnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967648 722072302 /nfs/dbraw/zinc/07/23/02/722072302.db2.gz SMXHWMTXOBGXJK-OKILXGFUSA-N 1 0 380.876 1.535 20 0 GDADRO COc1cc(OC)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979298 722106676 /nfs/dbraw/zinc/10/66/76/722106676.db2.gz HWOHXZFMYBUGCJ-SJORKVTESA-N 1 0 385.468 1.616 20 0 GDADRO O=C1NCc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164979759 722118916 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CEBRWZSJJXGIHB-KPAZRMRSSA-N 1 0 385.472 1.328 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC2(CC[NH+](CC3CC3)CC2)O1 ZINC001571263968 945471827 /nfs/dbraw/zinc/47/18/27/945471827.db2.gz CVIRBLHFSIQJRQ-CYBMUJFWSA-N 1 0 385.472 1.300 20 0 GDADRO Cc1cc(N2CCCN(C(=O)COC3CCCC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571263967 945471849 /nfs/dbraw/zinc/47/18/49/945471849.db2.gz CUDZAFHDVHXRGU-UHFFFAOYSA-N 1 0 385.472 1.568 20 0 GDADRO Cc1cc(NC2(C)CCN(C(=O)C[C@H]3CCOC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571264131 945475913 /nfs/dbraw/zinc/47/59/13/945475913.db2.gz GTFABISOVRZBAM-CQSZACIVSA-N 1 0 385.472 1.212 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C)CCOCC2)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571264299 945480645 /nfs/dbraw/zinc/48/06/45/945480645.db2.gz KLODUIYGRIEEMT-UKRRQHHQSA-N 1 0 385.472 1.149 20 0 GDADRO Cc1cc(NC2CC(N(C)C(=O)C[C@H]3CCCOC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571265923 945527670 /nfs/dbraw/zinc/52/76/70/945527670.db2.gz KYPKAJPKKVLQBI-WLYUNCDWSA-N 1 0 385.472 1.210 20 0 GDADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)CC1 ZINC000820722386 945537055 /nfs/dbraw/zinc/53/70/55/945537055.db2.gz IGCULVYRVVSVEV-UHFFFAOYSA-N 1 0 391.863 1.307 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC2(C1)CC[N@H+](CC[C@H]1CCCCO1)C2 ZINC001571266439 945540990 /nfs/dbraw/zinc/54/09/90/945540990.db2.gz QQYITXZWFFGOEN-OAHLLOKOSA-N 1 0 385.472 1.302 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCCOC1 ZINC001571266536 945544457 /nfs/dbraw/zinc/54/44/57/945544457.db2.gz TVEXCYSJSQIPEE-KBRIMQKVSA-N 1 0 385.472 1.300 20 0 GDADRO O=C(N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCOCC1 ZINC001571266827 945555137 /nfs/dbraw/zinc/55/51/37/945555137.db2.gz ZVKPRGUWMLEXCK-CTYIDZIISA-N 1 0 385.472 1.197 20 0 GDADRO C[C@@H](NC(=O)C1=COCCC1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571268194 945590296 /nfs/dbraw/zinc/59/02/96/945590296.db2.gz CGFZJDYJDNOGMF-GFCCVEGCSA-N 1 0 386.431 1.637 20 0 GDADRO C[C@@H](NC(=O)c1cn[nH]c1)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271357 945642238 /nfs/dbraw/zinc/64/22/38/945642238.db2.gz AVUGFPKXRKOMCP-NEPJUHHUSA-N 1 0 386.485 1.682 20 0 GDADRO CC(C)[C@@H](O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571271753 945650674 /nfs/dbraw/zinc/65/06/74/945650674.db2.gz IUUXAZVIFUDPHS-FHLIZLRMSA-N 1 0 386.500 1.600 20 0 GDADRO Cc1ccnn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271888 945652952 /nfs/dbraw/zinc/65/29/52/945652952.db2.gz LXEXRPAOBLEPOI-CYBMUJFWSA-N 1 0 386.485 1.166 20 0 GDADRO Cc1cnn(C)c1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272079 945654207 /nfs/dbraw/zinc/65/42/07/945654207.db2.gz OVESMCBNULNECF-LBPRGKRZSA-N 1 0 386.485 1.222 20 0 GDADRO CC[C@@H](C)C[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001571272076 945654788 /nfs/dbraw/zinc/65/47/88/945654788.db2.gz OUKTVYMNRWLIOB-ZBFHGGJFSA-N 1 0 386.504 1.073 20 0 GDADRO CC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001571272362 945661814 /nfs/dbraw/zinc/66/18/14/945661814.db2.gz SYBNIPPEROPBOT-UHFFFAOYSA-N 1 0 386.485 1.365 20 0 GDADRO Cc1[nH]nc(Cl)c1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571274382 945697360 /nfs/dbraw/zinc/69/73/60/945697360.db2.gz GIGDPUDZQFNLMB-ZDUSSCGKSA-N 1 0 386.847 1.556 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc(-c4nn[nH]n4)nc4ccccc43)CC2)C1 ZINC000821623628 945751873 /nfs/dbraw/zinc/75/18/73/945751873.db2.gz ORHUUMWDOCXISR-OAHLLOKOSA-N 1 0 378.484 1.631 20 0 GDADRO Cc1nc(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c(C)o1 ZINC001571280956 945795487 /nfs/dbraw/zinc/79/54/87/945795487.db2.gz AMMBDMRICJTHGD-UHFFFAOYSA-N 1 0 387.469 1.831 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cocn2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571281673 945808610 /nfs/dbraw/zinc/80/86/10/945808610.db2.gz LFHHDSDPRQWGJD-YPMHNXCESA-N 1 0 387.469 1.947 20 0 GDADRO Cc1nnsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571281774 945812571 /nfs/dbraw/zinc/81/25/71/945812571.db2.gz NRAOJFCNFNNMMQ-CMPLNLGQSA-N 1 0 387.473 1.043 20 0 GDADRO CCc1oncc1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571282066 945828232 /nfs/dbraw/zinc/82/82/32/945828232.db2.gz SATLBXKHZHFTBC-NSHDSACASA-N 1 0 387.469 1.873 20 0 GDADRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2csnn2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571282177 945832830 /nfs/dbraw/zinc/83/28/30/945832830.db2.gz SZVXHMRISNUGGX-UMSPYCQHSA-N 1 0 387.473 1.125 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)s1 ZINC001571282903 945867714 /nfs/dbraw/zinc/86/77/14/945867714.db2.gz VENOOKQLDYKLFC-CYBMUJFWSA-N 1 0 387.444 1.775 20 0 GDADRO CC[C@H](OC)C(=O)N1CCCCC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571284108 945892259 /nfs/dbraw/zinc/89/22/59/945892259.db2.gz LOBOSWIIPKIYIK-YOEHRIQHSA-N 1 0 387.488 1.600 20 0 GDADRO C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001571283942 945893223 /nfs/dbraw/zinc/89/32/23/945893223.db2.gz LKCODGHIJLZDCX-BPLDGKMQSA-N 1 0 387.488 1.308 20 0 GDADRO CO[C@@H](C[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1)C1CCCC1 ZINC001571283933 945895100 /nfs/dbraw/zinc/89/51/00/945895100.db2.gz LHOBBZMDMZNQRZ-KRWDZBQOSA-N 1 0 387.488 1.594 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)[C@@H]1CC[C@H](F)C1 ZINC001571286187 945939547 /nfs/dbraw/zinc/93/95/47/945939547.db2.gz AILDLDMKWVRQMV-DHWSYENGSA-N 1 0 388.422 1.690 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)C1CCOCC1 ZINC001571287596 945975822 /nfs/dbraw/zinc/97/58/22/945975822.db2.gz FTOIENDLSWQVQU-PXAZEXFGSA-N 1 0 388.447 1.511 20 0 GDADRO CN(C(=O)[C@H]1CCCCO1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287612 945975993 /nfs/dbraw/zinc/97/59/93/945975993.db2.gz GCYBUVYRNNQQAL-NVXWUHKLSA-N 1 0 388.447 1.608 20 0 GDADRO O=C(C[C@H]1CCCO1)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287847 945980679 /nfs/dbraw/zinc/98/06/79/945980679.db2.gz JGYVLYLWBAQNOT-JKSUJKDBSA-N 1 0 388.447 1.656 20 0 GDADRO CC1(C)C[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571288241 945984129 /nfs/dbraw/zinc/98/41/29/945984129.db2.gz MXWBFEBQYPWEND-CABCVRRESA-N 1 0 388.447 1.369 20 0 GDADRO Cc1nonc1C(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289517 946010721 /nfs/dbraw/zinc/01/07/21/946010721.db2.gz GPDKAYREWMXSDB-MNOVXSKESA-N 1 0 388.457 1.450 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571290205 946030960 /nfs/dbraw/zinc/03/09/60/946030960.db2.gz XOWYQSPYSORTES-GXTWGEPZSA-N 1 0 388.497 1.744 20 0 GDADRO CC[C@H](C(=O)N1CCC[C@@H](CNc2cccc(F)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571294492 946136453 /nfs/dbraw/zinc/13/64/53/946136453.db2.gz HNRBUCIUTQOWBB-XJKSGUPXSA-N 1 0 389.479 1.997 20 0 GDADRO O=C(c1ncccn1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571298083 946206990 /nfs/dbraw/zinc/20/69/90/946206990.db2.gz JDMUZCKXZIEPKR-IRXDYDNUSA-N 1 0 390.451 1.536 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)CC(C)(C)O ZINC001571298262 946211724 /nfs/dbraw/zinc/21/17/24/946211724.db2.gz LXIXCMJHFHNPHI-SWLSCSKDSA-N 1 0 390.463 1.636 20 0 GDADRO Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nn[nH]n4)C[C@H]32)ccn1 ZINC001571298399 946216990 /nfs/dbraw/zinc/21/69/90/946216990.db2.gz GCSRDYQWJUJTOV-XGBSXSJOSA-N 1 0 390.451 1.386 20 0 GDADRO C[C@@H]1CO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001571299335 946245832 /nfs/dbraw/zinc/24/58/32/946245832.db2.gz KZGODLZQIRICFE-PWNZVWSESA-N 1 0 390.513 1.870 20 0 GDADRO Cc1nsc(NC[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC001571299321 946247061 /nfs/dbraw/zinc/24/70/61/946247061.db2.gz KNIWLYKCYCNYJL-CHWSQXEVSA-N 1 0 390.517 1.424 20 0 GDADRO CN(C(=O)[C@@H]1CCCO1)C1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571299357 946247620 /nfs/dbraw/zinc/24/76/20/946247620.db2.gz LQAWETFVTWTIQM-PIMMBPRGSA-N 1 0 390.513 1.966 20 0 GDADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H]1CCCN1C(=O)[C@H]1CCCOC1 ZINC001571299382 946249110 /nfs/dbraw/zinc/24/91/10/946249110.db2.gz LZYHHJDXJMJKIV-KBPBESRZSA-N 1 0 390.513 1.778 20 0 GDADRO C[C@@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCOC1 ZINC001571300205 946275408 /nfs/dbraw/zinc/27/54/08/946275408.db2.gz WVAZCXCGYVPFSL-FZKQIMNGSA-N 1 0 390.513 1.826 20 0 GDADRO COCC(=O)N1CCC([N@@H+](Cc2ccc(-c3nn[nH]n3)s2)CC2CC2)CC1 ZINC001571300279 946276890 /nfs/dbraw/zinc/27/68/90/946276890.db2.gz YSNJFRRPSGPXIY-UHFFFAOYSA-N 1 0 390.513 1.778 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21 ZINC001571302498 946304007 /nfs/dbraw/zinc/30/40/07/946304007.db2.gz ZHPFNPVQFQSYBM-TYNCELHUSA-N 1 0 391.426 1.777 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)c3cnc(C4CC4)nc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571302596 946308135 /nfs/dbraw/zinc/30/81/35/946308135.db2.gz CJRROMWAFKUAJE-AWEZNQCLSA-N 1 0 391.439 1.246 20 0 GDADRO O=C(c1ccc2c(c1)CCOC2)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571302971 946320108 /nfs/dbraw/zinc/32/01/08/946320108.db2.gz GEENIOZYTLSMDP-MRXNPFEDSA-N 1 0 391.435 1.083 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccn1 ZINC001571303134 946327259 /nfs/dbraw/zinc/32/72/59/946327259.db2.gz IFFRYVABCZPQTC-HWWDLCQESA-N 1 0 391.435 1.131 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571304093 946357655 /nfs/dbraw/zinc/35/76/55/946357655.db2.gz XTLPKPHBYFJWFE-KDOFPFPSSA-N 1 0 391.435 1.009 20 0 GDADRO Cc1ccc(C)c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@@H]3C2)c1 ZINC001571306120 946388674 /nfs/dbraw/zinc/38/86/74/946388674.db2.gz GYGZHUVVJPKPJG-NNZMDNLPSA-N 1 0 391.479 1.919 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCc1nc3ccccc3s1)C2 ZINC000823802510 946483977 /nfs/dbraw/zinc/48/39/77/946483977.db2.gz QZHLUOJJBYFUAX-NSHDSACASA-N 1 0 381.469 1.547 20 0 GDADRO CCn1nccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571312672 946498687 /nfs/dbraw/zinc/49/86/87/946498687.db2.gz AEEZRHBHQSHHBF-OSYLJGHBSA-N 1 0 392.467 1.191 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001571313303 946517781 /nfs/dbraw/zinc/51/77/81/946517781.db2.gz MBWJJEOIIBDJRW-YVEFUNNKSA-N 1 0 392.467 1.860 20 0 GDADRO CN(C(=O)c1cnccn1)C1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571313480 946523195 /nfs/dbraw/zinc/52/31/95/946523195.db2.gz PWGSOYBMBLMIDR-UHFFFAOYSA-N 1 0 392.467 1.830 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571313551 946525108 /nfs/dbraw/zinc/52/51/08/946525108.db2.gz RMXNMSWVRKHFGK-YOEHRIQHSA-N 1 0 392.467 1.545 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2(C)C)ncn1 ZINC001571315871 946560279 /nfs/dbraw/zinc/56/02/79/946560279.db2.gz QFGBXIXCEQDQNR-QGZVFWFLSA-N 1 0 392.467 1.606 20 0 GDADRO Cc1ccc(CC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C)cn1 ZINC001571316194 946569416 /nfs/dbraw/zinc/56/94/16/946569416.db2.gz WANWKQNXSKIAND-GDBMZVCRSA-N 1 0 392.467 1.421 20 0 GDADRO Cc1cc(C(=O)NC2CC(CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571316323 946574775 /nfs/dbraw/zinc/57/47/75/946574775.db2.gz ZSIDMAGHSIABNS-UHFFFAOYSA-N 1 0 392.467 1.624 20 0 GDADRO Cc1cnc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC001571316512 946579253 /nfs/dbraw/zinc/57/92/53/946579253.db2.gz FCMDWSRPYXUAGL-QAQDUYKDSA-N 1 0 392.467 1.796 20 0 GDADRO Cc1cncc(C(=O)N2CC[C@H](C)[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571316496 946579924 /nfs/dbraw/zinc/57/99/24/946579924.db2.gz DPIXMSVGKNLRCR-GOEBONIOSA-N 1 0 392.467 1.597 20 0 GDADRO Cc1ncccc1C[N@@H+]1CC[C@]2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC[C@@H]12 ZINC001571317171 946602341 /nfs/dbraw/zinc/60/23/41/946602341.db2.gz WZESOIQAIDJPRW-YLJYHZDGSA-N 1 0 392.467 1.825 20 0 GDADRO O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317413 946608540 /nfs/dbraw/zinc/60/85/40/946608540.db2.gz HBWWRJBYWUUMEZ-OAHLLOKOSA-N 1 0 392.467 1.473 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC001571317483 946610501 /nfs/dbraw/zinc/61/05/01/946610501.db2.gz JLWLFDIFDGVPRU-UHFFFAOYSA-N 1 0 392.467 1.718 20 0 GDADRO CC(=O)Nc1cccc(C[NH2+][C@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001573546563 946811230 /nfs/dbraw/zinc/81/12/30/946811230.db2.gz FMAFYDKLYNVFRE-LLVKDONJSA-N 1 0 382.428 1.061 20 0 GDADRO CC(=O)Nc1ccc(C(=O)NCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)cc1 ZINC001573547308 946832329 /nfs/dbraw/zinc/83/23/29/946832329.db2.gz JGCFGEFAORHPDK-UHFFFAOYSA-N 1 0 380.412 1.086 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1ccc(S(N)(=O)=O)cc1 ZINC000824617055 946864194 /nfs/dbraw/zinc/86/41/94/946864194.db2.gz CIRRJGUVENQLIY-SNVBAGLBSA-N 1 0 376.417 1.504 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573586617 947291232 /nfs/dbraw/zinc/29/12/32/947291232.db2.gz RYCGKVDVSQVGMQ-KGLIPLIRSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)c1cnn(C)c1 ZINC001573586797 947293394 /nfs/dbraw/zinc/29/33/94/947293394.db2.gz TYFVIIDDEVIEIW-ZIAGYGMSSA-N 1 0 382.472 1.340 20 0 GDADRO CCc1ccc([C@@H](CNC(=O)Cc2noc(C)c2-c2nn[nH]n2)[NH+](C)C)cc1 ZINC000825704889 947295447 /nfs/dbraw/zinc/29/54/47/947295447.db2.gz PBQNATKKEJNACN-MRXNPFEDSA-N 1 0 383.456 1.687 20 0 GDADRO CCc1ccc([C@H](CNC(=O)Cc2noc(C)c2-c2nn[nH]n2)[NH+](C)C)cc1 ZINC000825704888 947296158 /nfs/dbraw/zinc/29/61/58/947296158.db2.gz PBQNATKKEJNACN-INIZCTEOSA-N 1 0 383.456 1.687 20 0 GDADRO Cn1cc(CN2CCO[C@@H](C[NH+](C)C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825860276 947350984 /nfs/dbraw/zinc/35/09/84/947350984.db2.gz ODCLCQAOLZHJNJ-KRWDZBQOSA-N 1 0 382.472 1.030 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)ccc1=O ZINC000825870483 947353179 /nfs/dbraw/zinc/35/31/79/947353179.db2.gz OHFWPYANRFSIEM-UHFFFAOYSA-N 1 0 399.480 1.321 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C1CCC1 ZINC001573594107 947385950 /nfs/dbraw/zinc/38/59/50/947385950.db2.gz XJZLXANWCPZBIE-KBXCAEBGSA-N 1 0 386.500 1.554 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccco1 ZINC001573594830 947409066 /nfs/dbraw/zinc/40/90/66/947409066.db2.gz CTDCGPPQBRGCAY-NWDGAFQWSA-N 1 0 390.469 1.234 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573595062 947415131 /nfs/dbraw/zinc/41/51/31/947415131.db2.gz FKUDTIXDCLSUJO-DOMZBBRYSA-N 1 0 390.463 1.351 20 0 GDADRO Cn1cc(C[N@H+](C)C[C@@H]2CN(C)CCO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826045299 947418515 /nfs/dbraw/zinc/41/85/15/947418515.db2.gz UFAWDMYWGGTZQU-KRWDZBQOSA-N 1 0 382.472 1.030 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccc(C)cc2)c1-c1nn[nH]n1 ZINC000826073249 947421389 /nfs/dbraw/zinc/42/13/89/947421389.db2.gz LLJOVQOSOGKOBU-ZDUSSCGKSA-N 1 0 382.472 1.868 20 0 GDADRO C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)n1cncn1 ZINC001573599236 947453245 /nfs/dbraw/zinc/45/32/45/947453245.db2.gz WLVYWGMXIWVWMN-LBPRGKRZSA-N 1 0 389.489 1.061 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)n1cccn1 ZINC001573603499 947488689 /nfs/dbraw/zinc/48/86/89/947488689.db2.gz MBKYSGBDDXOFCD-ZDUSSCGKSA-N 1 0 386.435 1.354 20 0 GDADRO COc1cccc(C[C@@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n1 ZINC000826216041 947634034 /nfs/dbraw/zinc/63/40/34/947634034.db2.gz ICNIKGGXJLHJCA-CQSZACIVSA-N 1 0 394.483 1.855 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccc1 ZINC001573617805 947640963 /nfs/dbraw/zinc/64/09/63/947640963.db2.gz NCEBWQHCSHNRPG-BBRMVZONSA-N 1 0 383.431 1.759 20 0 GDADRO C/C(=C\C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573362440 947703291 /nfs/dbraw/zinc/70/32/91/947703291.db2.gz KMAGFXRDPZAGFO-SHRNQRGKSA-N 1 0 382.468 1.540 20 0 GDADRO CC(=O)CCCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573367300 947756881 /nfs/dbraw/zinc/75/68/81/947756881.db2.gz BPROUBBZSLCSJJ-LBPRGKRZSA-N 1 0 376.436 1.702 20 0 GDADRO C[C@H](C(=O)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)C(F)(F)F ZINC001573629186 947773756 /nfs/dbraw/zinc/77/37/56/947773756.db2.gz RFYXEZFAORKIBU-GHMZBOCLSA-N 1 0 383.378 1.675 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H]1C ZINC001573373351 947792466 /nfs/dbraw/zinc/79/24/66/947792466.db2.gz IDJIRCXRXJIKCJ-TZMCWYRMSA-N 1 0 376.486 1.767 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@@H]1C ZINC001573373685 947796405 /nfs/dbraw/zinc/79/64/05/947796405.db2.gz KGXAURMQCZJHLD-GUYCJALGSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001573373780 947800015 /nfs/dbraw/zinc/80/00/15/947800015.db2.gz LKOMKVAOPKLQMP-UHFFFAOYSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001573377405 947847750 /nfs/dbraw/zinc/84/77/50/947847750.db2.gz NDOAQSIWLXKEQS-ZWKOTPCHSA-N 1 0 382.468 1.659 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573647534 947897243 /nfs/dbraw/zinc/89/72/43/947897243.db2.gz NZLCYBXBPVEIHC-CKEIUWERSA-N 1 0 380.456 1.261 20 0 GDADRO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cccn1 ZINC001573652178 947931742 /nfs/dbraw/zinc/93/17/42/947931742.db2.gz VRRWHOBVEDYRFN-YXJHDRRASA-N 1 0 392.467 1.357 20 0 GDADRO Cc1onc(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1-c1nn[nH]n1 ZINC000826348029 948064767 /nfs/dbraw/zinc/06/47/67/948064767.db2.gz QPSITCGVBMPRBB-UHFFFAOYSA-N 1 0 381.440 1.618 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001573676316 948126231 /nfs/dbraw/zinc/12/62/31/948126231.db2.gz TZELMEIJQDBLHE-LSDHHAIUSA-N 1 0 384.488 1.221 20 0 GDADRO Cn1cc(C[N@@H+]2CCSC[C@@H]2CCO)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361260 948130171 /nfs/dbraw/zinc/13/01/71/948130171.db2.gz QZKBVINZSPTUNM-INIZCTEOSA-N 1 0 385.497 1.567 20 0 GDADRO C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccc1 ZINC001573679358 948160955 /nfs/dbraw/zinc/16/09/55/948160955.db2.gz IBYUHUGXIQSLPG-WFASDCNBSA-N 1 0 385.497 1.975 20 0 GDADRO [NH2+]=C(NOCCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1COc2ccccc2O1 ZINC000826388309 948193420 /nfs/dbraw/zinc/19/34/20/948193420.db2.gz RJHROJQKUKVCJO-INIZCTEOSA-N 1 0 382.380 1.584 20 0 GDADRO NC(=O)CC[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826390991 948197776 /nfs/dbraw/zinc/19/77/76/948197776.db2.gz STDGQKIIPIYZOT-YOEHRIQHSA-N 1 0 397.483 1.340 20 0 GDADRO CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573434167 948209609 /nfs/dbraw/zinc/20/96/09/948209609.db2.gz POXJTXRJMYDERO-MOPGFXCFSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1)[C@H]1CCCO1 ZINC001573690806 948229052 /nfs/dbraw/zinc/22/90/52/948229052.db2.gz BLPBTWIHGJSKDC-BLLLJJGKSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccnc1 ZINC001573690843 948233238 /nfs/dbraw/zinc/23/32/38/948233238.db2.gz CDKGACNDZLTRCJ-AWEZNQCLSA-N 1 0 377.452 1.804 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)c1cccs1 ZINC001573692299 948261687 /nfs/dbraw/zinc/26/16/87/948261687.db2.gz NYAVKKPKASNKHC-OCCSQVGLSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)c1cnn(C)c1 ZINC001573692865 948273446 /nfs/dbraw/zinc/27/34/46/948273446.db2.gz STMZAQQFRAABBC-ZDUSSCGKSA-N 1 0 380.456 1.142 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)[C@H]1CCCO1 ZINC001573693232 948277902 /nfs/dbraw/zinc/27/79/02/948277902.db2.gz VQIDQLRAOGNDJH-MLGOLLRUSA-N 1 0 388.447 1.559 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000826443659 948306204 /nfs/dbraw/zinc/30/62/04/948306204.db2.gz YECLAYBVLRKPMJ-LJQANCHMSA-N 1 0 392.463 1.753 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)C(C)(F)F ZINC001573696583 948328291 /nfs/dbraw/zinc/32/82/91/948328291.db2.gz SNWANIJTVWFXBW-VCOSZWKGSA-N 1 0 390.438 1.952 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573703798 948359124 /nfs/dbraw/zinc/35/91/24/948359124.db2.gz MOGHIVGKOVMLHH-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO O=C1[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476314 948379092 /nfs/dbraw/zinc/37/90/92/948379092.db2.gz FIAAYBUPQCLGPO-MOPGFXCFSA-N 1 0 395.511 1.922 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573705215 948394041 /nfs/dbraw/zinc/39/40/41/948394041.db2.gz GNCWKICTVLZPQS-HUUCEWRRSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@@H](C(=O)NCC=CCNc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCCCC1 ZINC001573705398 948399744 /nfs/dbraw/zinc/39/97/44/948399744.db2.gz FLDJFGUFFDSUNC-NNTXTVRGSA-N 1 0 385.476 1.006 20 0 GDADRO O[C@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCOCC1 ZINC000826502851 948420799 /nfs/dbraw/zinc/42/07/99/948420799.db2.gz LLHHWRDCGHHHCV-LJQANCHMSA-N 1 0 386.500 1.208 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+]CCOC[C@H]2CCOC2)CC1 ZINC000826514129 948438533 /nfs/dbraw/zinc/43/85/33/948438533.db2.gz IFYZRKKCTPDKIS-KRWDZBQOSA-N 1 0 386.500 1.474 20 0 GDADRO C[C@H](C(=O)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573708892 948461321 /nfs/dbraw/zinc/46/13/21/948461321.db2.gz YHSPWITXTZGRAI-CQSZACIVSA-N 1 0 380.456 1.445 20 0 GDADRO C[C@H](C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573708897 948462556 /nfs/dbraw/zinc/46/25/56/948462556.db2.gz YMYWSCXQSGROTF-AWEZNQCLSA-N 1 0 377.452 1.613 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cccnc1 ZINC001573715096 948482109 /nfs/dbraw/zinc/48/21/09/948482109.db2.gz OKBJJFJOMSPPRU-CYBMUJFWSA-N 1 0 383.431 1.753 20 0 GDADRO C[C@@H](CCNC(=O)[C@H](C)n1cccn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573717331 948505999 /nfs/dbraw/zinc/50/59/99/948505999.db2.gz LHWAOQROKSMXIB-STQMWFEESA-N 1 0 386.435 1.448 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573725535 948542603 /nfs/dbraw/zinc/54/26/03/948542603.db2.gz AKJDWPJJPHPBPQ-GARJFASQSA-N 1 0 383.378 1.579 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@@H]1CCCO1 ZINC001573748895 948697707 /nfs/dbraw/zinc/69/77/07/948697707.db2.gz WWICSVIMENEROP-DPYKFYPSSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1CCCO1 ZINC001573753135 948717286 /nfs/dbraw/zinc/71/72/86/948717286.db2.gz RHILHLXTJSAJMI-ZJQBRPOHSA-N 1 0 376.486 1.480 20 0 GDADRO CC(C)[C@H](F)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574075672 948747803 /nfs/dbraw/zinc/74/78/03/948747803.db2.gz YQRYQCRAPRBDMU-QFBILLFUSA-N 1 0 390.463 1.304 20 0 GDADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001573755182 948757800 /nfs/dbraw/zinc/75/78/00/948757800.db2.gz BQYXJDKRCNXSIW-NRWUCQMLSA-N 1 0 390.875 1.940 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccncc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574916626 948783252 /nfs/dbraw/zinc/78/32/52/948783252.db2.gz GBOCXOSXWZBLGL-ZDUSSCGKSA-N 1 0 383.431 1.628 20 0 GDADRO C[C@H](CNC(=O)CCc1cnccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574916717 948785523 /nfs/dbraw/zinc/78/55/23/948785523.db2.gz ICIARIANRKOMTD-GFCCVEGCSA-N 1 0 384.419 1.023 20 0 GDADRO CC(C)c1cccc(C[N@H+](C)[C@@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574420599 948803319 /nfs/dbraw/zinc/80/33/19/948803319.db2.gz ZPHARXYZNNGVLB-ZDUSSCGKSA-N 1 0 382.472 1.964 20 0 GDADRO CC(C)[C@H](F)C(=O)N[C@@H](C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574081099 948813570 /nfs/dbraw/zinc/81/35/70/948813570.db2.gz PQZSPHSNJHKXTR-LRDDRELGSA-N 1 0 375.452 1.977 20 0 GDADRO CC(F)(F)CC(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575226428 948819701 /nfs/dbraw/zinc/81/97/01/948819701.db2.gz LUHIYQMTPLALPA-NSHDSACASA-N 1 0 382.390 1.989 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574918516 948850005 /nfs/dbraw/zinc/85/00/05/948850005.db2.gz LZMHZRIKWQPGLT-LBPRGKRZSA-N 1 0 392.895 1.708 20 0 GDADRO CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573764633 948891635 /nfs/dbraw/zinc/89/16/35/948891635.db2.gz PGNJCMYOULTOFQ-SFHVURJKSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncnc1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920888 948910849 /nfs/dbraw/zinc/91/08/49/948910849.db2.gz QHEFBCVTADSRHA-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001574685747 948918311 /nfs/dbraw/zinc/91/83/11/948918311.db2.gz ZPLWXTHOLJAKEP-LLVKDONJSA-N 1 0 392.895 1.564 20 0 GDADRO C[C@H](CNC(=O)CCc1nccn1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921432 948924019 /nfs/dbraw/zinc/92/40/19/948924019.db2.gz XFMBEPSCNQTBJD-CQSZACIVSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)c1nccn1CC(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574432298 948933210 /nfs/dbraw/zinc/93/32/10/948933210.db2.gz IUEBNJWDFNDUBB-UHFFFAOYSA-N 1 0 382.472 1.435 20 0 GDADRO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573772328 948958142 /nfs/dbraw/zinc/95/81/42/948958142.db2.gz AGQVGFIUMZULHS-KRWDZBQOSA-N 1 0 391.479 1.930 20 0 GDADRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001574089609 948963533 /nfs/dbraw/zinc/96/35/33/948963533.db2.gz GARZROWXSULVMO-NVXWUHKLSA-N 1 0 390.513 1.750 20 0 GDADRO CC(C)[C@H]1C[C@H]1C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001574091394 949016925 /nfs/dbraw/zinc/01/69/25/949016925.db2.gz KWLMXINYZJMGKV-ZIAGYGMSSA-N 1 0 385.472 1.053 20 0 GDADRO C[C@H](F)CC[N@@H+]1CCOC2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001575245964 949035437 /nfs/dbraw/zinc/03/54/37/949035437.db2.gz FVMRIBWENUIZPE-ZDUSSCGKSA-N 1 0 391.451 1.250 20 0 GDADRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573775437 949041111 /nfs/dbraw/zinc/04/11/11/949041111.db2.gz WPBHZRSCKYRGKN-AWEZNQCLSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574929200 949081592 /nfs/dbraw/zinc/08/15/92/949081592.db2.gz ASHOPDUCXPVEFL-LBPRGKRZSA-N 1 0 391.451 1.033 20 0 GDADRO CC(C)c1nocc1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574441885 949082085 /nfs/dbraw/zinc/08/20/85/949082085.db2.gz DNVCXEVXWMGOGB-OAHLLOKOSA-N 1 0 382.428 1.416 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574929240 949087799 /nfs/dbraw/zinc/08/77/99/949087799.db2.gz BEEZMSAZQQPGSE-ZDUSSCGKSA-N 1 0 390.463 1.949 20 0 GDADRO C[C@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574929503 949095985 /nfs/dbraw/zinc/09/59/85/949095985.db2.gz FROLBPZZQLZYAT-CYBMUJFWSA-N 1 0 390.463 1.949 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCC1 ZINC001574694988 949099439 /nfs/dbraw/zinc/09/94/39/949099439.db2.gz YICHQQYQFHGQDM-CJNGLKHVSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@H](c1cccc(F)c1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575509021 949113223 /nfs/dbraw/zinc/11/32/23/949113223.db2.gz BFPDJRBWLCYPBV-KWAYOQMPSA-N 1 0 381.415 1.755 20 0 GDADRO C[C@@H](CNC(=O)COc1ccsc1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574934519 949164887 /nfs/dbraw/zinc/16/48/87/949164887.db2.gz JZLFTXLZJXIZJA-NSHDSACASA-N 1 0 390.444 1.741 20 0 GDADRO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573787235 949170827 /nfs/dbraw/zinc/17/08/27/949170827.db2.gz QPZIOVSIPIQDKM-IYARVYRRSA-N 1 0 391.479 1.976 20 0 GDADRO CC(C)c1ocnc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574449382 949197298 /nfs/dbraw/zinc/19/72/98/949197298.db2.gz QEOPAABBJUNPBR-AULYBMBSSA-N 1 0 384.444 1.604 20 0 GDADRO C[C@@H](CNC(=O)Cc1c(F)cccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574936124 949211983 /nfs/dbraw/zinc/21/19/83/949211983.db2.gz HMTWZEDFFYBKPB-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO CC(C)c1oncc1C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574450288 949213968 /nfs/dbraw/zinc/21/39/68/949213968.db2.gz ZJJDJZGPHFJDCE-GFCCVEGCSA-N 1 0 382.428 1.369 20 0 GDADRO C[C@@H](CNC(=O)Cc1c[nH]c2cnccc12)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574937279 949227704 /nfs/dbraw/zinc/22/77/04/949227704.db2.gz NQXYEKQNKUKMAT-ZDUSSCGKSA-N 1 0 390.451 1.580 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@](CO)([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573791817 949228624 /nfs/dbraw/zinc/22/86/24/949228624.db2.gz GMFBFJMGTKLSMB-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO C[C@@H](c1ccccc1)[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 ZINC001575517615 949235892 /nfs/dbraw/zinc/23/58/92/949235892.db2.gz XJCJFZXYOSQHBV-CWRNSKLLSA-N 1 0 377.452 1.960 20 0 GDADRO CC(C)n1cc(C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001574452953 949273640 /nfs/dbraw/zinc/27/36/40/949273640.db2.gz SMVPWJCNPCRNKE-AWEZNQCLSA-N 1 0 381.444 1.178 20 0 GDADRO CC(C)(C)C(=O)C(=O)N[C@](C)(C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001573793384 949295743 /nfs/dbraw/zinc/29/57/43/949295743.db2.gz RIMUQXDERZZUCE-HXUWFJFHSA-N 1 0 384.484 1.856 20 0 GDADRO CC(C)(C)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573793570 949302813 /nfs/dbraw/zinc/30/28/13/949302813.db2.gz VFQOBIYZZFTPOZ-GOEBONIOSA-N 1 0 384.484 1.856 20 0 GDADRO CC(C)n1ccc(C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)n1 ZINC001574457277 949319634 /nfs/dbraw/zinc/31/96/34/949319634.db2.gz FNNLSMFNUBXRDK-UHFFFAOYSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@@H](NC(=O)C1CCC(O)CC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575259621 949331464 /nfs/dbraw/zinc/33/14/64/949331464.db2.gz PUWZUSJPTQQICQ-TUBUQKNSSA-N 1 0 384.484 1.354 20 0 GDADRO CC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573796030 949332934 /nfs/dbraw/zinc/33/29/34/949332934.db2.gz QLHTYKLBUJOLGT-ZDUSSCGKSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)n1ccc(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)n1 ZINC001574457611 949334155 /nfs/dbraw/zinc/33/41/55/949334155.db2.gz LGNQCCJEDUONHS-UHFFFAOYSA-N 1 0 381.444 1.226 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574703800 949353461 /nfs/dbraw/zinc/35/34/61/949353461.db2.gz YMFHMHNTXHVOSH-DJJJIMSYSA-N 1 0 390.463 1.759 20 0 GDADRO CC(C)n1ccc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001574459793 949361325 /nfs/dbraw/zinc/36/13/25/949361325.db2.gz KVUABJOGMMZYRM-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)n1ccc(CC(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001574943057 949368514 /nfs/dbraw/zinc/36/85/14/949368514.db2.gz VONIAQQLHHGEKU-GFCCVEGCSA-N 1 0 388.501 1.543 20 0 GDADRO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001574704198 949375752 /nfs/dbraw/zinc/37/57/52/949375752.db2.gz ATWWNAIAACENJR-ZBFHGGJFSA-N 1 0 386.504 1.783 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001575262791 949382641 /nfs/dbraw/zinc/38/26/41/949382641.db2.gz CEDCUZXVMUANRL-KBPBESRZSA-N 1 0 386.504 1.687 20 0 GDADRO C[C@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574944855 949402722 /nfs/dbraw/zinc/40/27/22/949402722.db2.gz HIUHUWRTMQKXLP-LLVKDONJSA-N 1 0 387.394 1.377 20 0 GDADRO C[C@@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574944856 949403145 /nfs/dbraw/zinc/40/31/45/949403145.db2.gz HIUHUWRTMQKXLP-NSHDSACASA-N 1 0 387.394 1.377 20 0 GDADRO C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575263833 949410584 /nfs/dbraw/zinc/41/05/84/949410584.db2.gz KASKMIWGPIIIII-CYBMUJFWSA-N 1 0 387.488 1.013 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001574705313 949420689 /nfs/dbraw/zinc/42/06/89/949420689.db2.gz HUKQHWYBVSTIDK-AWEZNQCLSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264394 949425517 /nfs/dbraw/zinc/42/55/17/949425517.db2.gz NYTFRCKWBCCMMF-RISCZKNCSA-N 1 0 376.486 1.434 20 0 GDADRO C[C@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574946691 949438467 /nfs/dbraw/zinc/43/84/67/949438467.db2.gz XKJWOMXZVBIQDC-SNVBAGLBSA-N 1 0 375.433 1.299 20 0 GDADRO CC(C)(C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573803321 949438580 /nfs/dbraw/zinc/43/85/80/949438580.db2.gz NDXOPDFOSAZUMT-SFHVURJKSA-N 1 0 376.436 1.105 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H](CC[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575535228 949440664 /nfs/dbraw/zinc/44/06/64/949440664.db2.gz UIQAAZZKIBWAAX-YWZLYKJASA-N 1 0 384.484 1.622 20 0 GDADRO C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)CC[NH+](C)C ZINC001576156583 949450594 /nfs/dbraw/zinc/45/05/94/949450594.db2.gz NGWMXPHGDHBTAR-UGSOOPFHSA-N 1 0 387.492 1.085 20 0 GDADRO C[C@@H](CNC(=O)Cn1cc(Cl)cn1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574947853 949452282 /nfs/dbraw/zinc/45/22/82/949452282.db2.gz FCCRHLYVFMRKGG-LBPRGKRZSA-N 1 0 388.863 1.353 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCCCO1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574706803 949461385 /nfs/dbraw/zinc/46/13/85/949461385.db2.gz MWCKUFPTMOADMH-MLGOLLRUSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCCOC1 ZINC001575537741 949497555 /nfs/dbraw/zinc/49/75/55/949497555.db2.gz XCAYXEJNRYPXDX-HNAYVOBHSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@]1(C(=O)N2CCC([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001575537833 949502851 /nfs/dbraw/zinc/50/28/51/949502851.db2.gz YKOPSJFIXDGQGR-IBGZPJMESA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H](CN(C)C(=O)C=Cc1ccc[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574710788 949515938 /nfs/dbraw/zinc/51/59/38/949515938.db2.gz BMCHASLJBCROTI-WOLRVDTOSA-N 1 0 383.431 1.984 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576163415 949533479 /nfs/dbraw/zinc/53/34/79/949533479.db2.gz BCOPFTVOOQSBDG-CJNGLKHVSA-N 1 0 375.477 1.452 20 0 GDADRO C[C@@H](CC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574471385 949534654 /nfs/dbraw/zinc/53/46/54/949534654.db2.gz MPOGBGXIJZSXJE-JEYLPNPQSA-N 1 0 392.467 1.674 20 0 GDADRO C[C@@H](NC(=O)C[C@@H]1CCCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575269731 949563036 /nfs/dbraw/zinc/56/30/36/949563036.db2.gz WONXZFGMPHHJBW-OCCSQVGLSA-N 1 0 390.513 1.824 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnsn1 ZINC001573810610 949573512 /nfs/dbraw/zinc/57/35/12/949573512.db2.gz AVCYSLOZNNGUNW-GFCCVEGCSA-N 1 0 392.514 1.714 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cnccn1 ZINC001573810646 949576298 /nfs/dbraw/zinc/57/62/98/949576298.db2.gz BIJMCUKDWGXFGJ-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ncc[nH]1 ZINC001573810808 949581377 /nfs/dbraw/zinc/58/13/77/949581377.db2.gz CZBJPJOUOBDKGO-AWEZNQCLSA-N 1 0 386.435 1.663 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=COCCO1 ZINC001573810845 949582201 /nfs/dbraw/zinc/58/22/01/949582201.db2.gz DTZBPIGCQYCZMQ-CQSZACIVSA-N 1 0 392.485 1.437 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)[N@@H+]1CCCC[C@@H]1C ZINC001576166645 949585152 /nfs/dbraw/zinc/58/51/52/949585152.db2.gz NBZYVZADDUTZTE-NWDGAFQWSA-N 1 0 382.465 1.547 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573811267 949596650 /nfs/dbraw/zinc/59/66/50/949596650.db2.gz IUTLTWFTYNKNGB-ZDUSSCGKSA-N 1 0 381.431 1.974 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2=CCOCC2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575873854 949598288 /nfs/dbraw/zinc/59/82/88/949598288.db2.gz QPNLXFCOVBUKDR-KBXCAEBGSA-N 1 0 382.468 1.683 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575874172 949606223 /nfs/dbraw/zinc/60/62/23/949606223.db2.gz RWLUSRQBIKGUFE-XJKSGUPXSA-N 1 0 384.488 1.077 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C1=CCOCC1 ZINC001573811779 949609218 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CC1CC[NH+](CC(=O)N2CC[C@H](N(C)c3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576196768 950373392 /nfs/dbraw/zinc/37/33/92/950373392.db2.gz HOXHLWKWRMBFKI-HNNXBMFYSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(C2CC2)n[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574745179 950375604 /nfs/dbraw/zinc/37/56/04/950375604.db2.gz GOHVRYSXCJMZEC-GFCCVEGCSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOC1 ZINC001575596612 950384737 /nfs/dbraw/zinc/38/47/37/950384737.db2.gz GUWJETOCMNFZNC-XAUMDUMWSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001576197245 950387727 /nfs/dbraw/zinc/38/77/27/950387727.db2.gz LVHMRPLAIUDMNC-CYBMUJFWSA-N 1 0 375.452 1.242 20 0 GDADRO C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001576197522 950401183 /nfs/dbraw/zinc/40/11/83/950401183.db2.gz PGRCFXXHEUEPAX-GOEBONIOSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576198066 950405570 /nfs/dbraw/zinc/40/55/70/950405570.db2.gz RLRCXRYBGKCAIY-TZMCWYRMSA-N 1 0 388.451 1.146 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575909895 950410471 /nfs/dbraw/zinc/41/04/71/950410471.db2.gz IUTKENXDJWIILX-XJKSGUPXSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001576198899 950415035 /nfs/dbraw/zinc/41/50/35/950415035.db2.gz WITZCXAGLBPQAB-GOEBONIOSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574747884 950420589 /nfs/dbraw/zinc/42/05/89/950420589.db2.gz ZPGSEZURQOFFCJ-JTQLQIEISA-N 1 0 390.398 1.778 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575910513 950421496 /nfs/dbraw/zinc/42/14/96/950421496.db2.gz LMJRCKGKNDIVPK-SUMWQHHRSA-N 1 0 380.456 1.302 20 0 GDADRO 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ZINC001573866553 950504750 /nfs/dbraw/zinc/50/47/50/950504750.db2.gz HGCFBLCHQCWNQN-OAHLLOKOSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(F)ccc1Cl ZINC001574995431 950509498 /nfs/dbraw/zinc/50/94/98/950509498.db2.gz ZXAKBFMXYWRWQY-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575915403 950512842 /nfs/dbraw/zinc/51/28/42/950512842.db2.gz WYSJZFXBEXTJLB-ZBFHGGJFSA-N 1 0 384.488 1.539 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCC2(Nc3ncccc3-c3nn[nH]n3)CCCC2)C1 ZINC001576205382 950516067 /nfs/dbraw/zinc/51/60/67/950516067.db2.gz IHFLSFHKURKSQH-AWEZNQCLSA-N 1 0 384.488 1.444 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573867099 950518201 /nfs/dbraw/zinc/51/82/01/950518201.db2.gz PJAWIPMJESKVSH-GFCCVEGCSA-N 1 0 378.502 1.824 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573866970 950520862 /nfs/dbraw/zinc/52/08/62/950520862.db2.gz OSRWXYQGMCAMJJ-CQSZACIVSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575608798 950521502 /nfs/dbraw/zinc/52/15/02/950521502.db2.gz SETMQKJWFSASMK-ODYMNIRHSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cccc2c1CCOC2 ZINC001574997329 950543381 /nfs/dbraw/zinc/54/33/81/950543381.db2.gz TYGZSGFYYYBGMV-GFCCVEGCSA-N 1 0 381.440 1.176 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001574753916 950550994 /nfs/dbraw/zinc/55/09/94/950550994.db2.gz HTQLJZRVSJWESO-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(F)cc1Cl ZINC001574997742 950555253 /nfs/dbraw/zinc/55/52/53/950555253.db2.gz XZLNTNGTRGLRPL-SECBINFHSA-N 1 0 377.811 1.895 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574997884 950556054 /nfs/dbraw/zinc/55/60/54/950556054.db2.gz YYSKGKQFSPXSGZ-LLVKDONJSA-N 1 0 383.460 1.537 20 0 GDADRO C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)N(C)c1ncc(-c2nn[nH]n2)cc1F ZINC001576206276 950565440 /nfs/dbraw/zinc/56/54/40/950565440.db2.gz VYUKEIHBFVVNMA-CYBMUJFWSA-N 1 0 390.467 1.074 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574999044 950568708 /nfs/dbraw/zinc/56/87/08/950568708.db2.gz DWMRAFYBTBPTBK-JTQLQIEISA-N 1 0 388.382 1.502 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCN2c2ncccc2-c2nn[nH]n2)C1 ZINC001576206870 950581953 /nfs/dbraw/zinc/58/19/53/950581953.db2.gz ZIZPSCVLUIBYTQ-LSDHHAIUSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C2CC2)C1 ZINC001576206918 950584990 /nfs/dbraw/zinc/58/49/90/950584990.db2.gz ZPZCTCMFUQBSOI-BLLLJJGKSA-N 1 0 387.463 1.654 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576208976 950621249 /nfs/dbraw/zinc/62/12/49/950621249.db2.gz WWJCHZFZYUPXCB-GFCCVEGCSA-N 1 0 376.440 1.049 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccccc1O)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574759133 950632396 /nfs/dbraw/zinc/63/23/96/950632396.db2.gz KXPIPODXCQZROY-GFCCVEGCSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001576213624 950637368 /nfs/dbraw/zinc/63/73/68/950637368.db2.gz DYUHQEMDOGLYNT-BPUTZDHNSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574518260 950651299 /nfs/dbraw/zinc/65/12/99/950651299.db2.gz MXNMELMIBYHIQS-IIAWOOMASA-N 1 0 392.467 1.579 20 0 GDADRO C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574518676 950654416 /nfs/dbraw/zinc/65/44/16/950654416.db2.gz PKSRTELJPWSBKG-FVQBIDKESA-N 1 0 380.456 1.451 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccn1 ZINC001574518722 950661412 /nfs/dbraw/zinc/66/14/12/950661412.db2.gz QGZXXUZDHGYRNB-WKCGWZECSA-N 1 0 392.467 1.261 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575924945 950674577 /nfs/dbraw/zinc/67/45/77/950674577.db2.gz GDUYMOCZAYGOJZ-LRDDRELGSA-N 1 0 391.435 1.334 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001574519370 950675880 /nfs/dbraw/zinc/67/58/80/950675880.db2.gz UEBJNKVPNADVOB-RWMBFGLXSA-N 1 0 386.485 1.513 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cn2c(n1)CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574760827 950681028 /nfs/dbraw/zinc/68/10/28/950681028.db2.gz MGHOQQQKVQRKGY-NSHDSACASA-N 1 0 386.485 1.321 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCCO1 ZINC001574519970 950701981 /nfs/dbraw/zinc/70/19/81/950701981.db2.gz YWXJBDYSVSPXQX-VIBAHUMZSA-N 1 0 384.484 1.809 20 0 GDADRO CC1(C)CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575628515 950717536 /nfs/dbraw/zinc/71/75/36/950717536.db2.gz DXGDCSKHFSEYRD-AWEZNQCLSA-N 1 0 376.436 1.009 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573878630 950718928 /nfs/dbraw/zinc/71/89/28/950718928.db2.gz XHFXXYQAKJFKQZ-UMVBOHGHSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574763671 950726332 /nfs/dbraw/zinc/72/63/32/950726332.db2.gz HXBHIOVRIUWPOM-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cscn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574765000 950768465 /nfs/dbraw/zinc/76/84/65/950768465.db2.gz BJXVGZQUMFOFCM-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+][C@H]1CCc2c1cccc2F ZINC001575009185 950778358 /nfs/dbraw/zinc/77/83/58/950778358.db2.gz PJAYWGRRMOBZPF-NHYWBVRUSA-N 1 0 383.431 1.977 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1ccon1 ZINC001574521513 950779840 /nfs/dbraw/zinc/77/98/40/950779840.db2.gz GLGUFTOERJVIEM-RYUDHWBXSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)CC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576218346 950788027 /nfs/dbraw/zinc/78/80/27/950788027.db2.gz LLAIBMSJEXNGOL-QMTHXVAHSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1cn[nH]n1 ZINC001574522820 950797832 /nfs/dbraw/zinc/79/78/32/950797832.db2.gz LDBBNVAUORAAAW-WDEREUQCSA-N 1 0 389.489 1.052 20 0 GDADRO C[C@@H](CN(C)C(=O)c1nccs1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574765692 950798017 /nfs/dbraw/zinc/79/80/17/950798017.db2.gz JMSNNEJXXWQEFZ-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CC1OCCCO1 ZINC001574523589 950819545 /nfs/dbraw/zinc/81/95/45/950819545.db2.gz OJGKDZACBWIQLT-KBPBESRZSA-N 1 0 388.472 1.393 20 0 GDADRO C[C@@H](CN(C)C(=O)c1conc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574766887 950829572 /nfs/dbraw/zinc/82/95/72/950829572.db2.gz NUOZVKBCMBVEBK-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1=CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574523873 950832596 /nfs/dbraw/zinc/83/25/96/950832596.db2.gz RQAYVQNLLCBTDT-OLZOCXBDSA-N 1 0 388.447 1.725 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cnn(C)c1 ZINC001574524447 950858284 /nfs/dbraw/zinc/85/82/84/950858284.db2.gz WKOJJCUNIALMPC-ZIAGYGMSSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574524658 950866424 /nfs/dbraw/zinc/86/64/24/950866424.db2.gz YEKODPDHHQAOLZ-RKUHIEFHSA-N 1 0 388.447 1.271 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C1(F)CCOCC1 ZINC001574524704 950867227 /nfs/dbraw/zinc/86/72/27/950867227.db2.gz YRBJEGJGJSMJOF-KBPBESRZSA-N 1 0 390.463 1.758 20 0 GDADRO CC(C)CCCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574189247 950871827 /nfs/dbraw/zinc/87/18/27/950871827.db2.gz GMSHKHRBSRFERY-HXUWFJFHSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnsn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574767937 950876005 /nfs/dbraw/zinc/87/60/05/950876005.db2.gz VJPUULOLSSBCQL-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576227466 950912404 /nfs/dbraw/zinc/91/24/04/950912404.db2.gz CWLPCDNJGNYRSY-XJKSGUPXSA-N 1 0 388.447 1.322 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1n[nH]cc1F ZINC001574529587 950955921 /nfs/dbraw/zinc/95/59/21/950955921.db2.gz RGPRRKKIPBNSTF-NXEZZACHSA-N 1 0 390.398 1.555 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1csnn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574529751 950960294 /nfs/dbraw/zinc/96/02/94/950960294.db2.gz RXVFUCBFDATXSJ-ZJUUUORDSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]CCn1cc(Cl)cn1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574530594 950986722 /nfs/dbraw/zinc/98/67/22/950986722.db2.gz CLFHDTTZCCQFFI-GHMZBOCLSA-N 1 0 391.867 1.231 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1cc(F)ccc1F ZINC001575017278 950987210 /nfs/dbraw/zinc/98/72/10/950987210.db2.gz JJKSOXAICTYXHL-VHSXEESVSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576230143 950992831 /nfs/dbraw/zinc/99/28/31/950992831.db2.gz QAXJEORAMGDMEP-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H]1CN(C(=O)C2=COCCO2)CC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576230293 951000058 /nfs/dbraw/zinc/00/00/58/951000058.db2.gz APBNBVCOLNJIRC-XJKSGUPXSA-N 1 0 384.440 1.082 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575021585 951064587 /nfs/dbraw/zinc/06/45/87/951064587.db2.gz DIJMDCHKGLHNOP-ZDUSSCGKSA-N 1 0 380.456 1.554 20 0 GDADRO C[C@@H](CNC(=O)c1ccnn1C1CCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575034010 951235551 /nfs/dbraw/zinc/23/55/51/951235551.db2.gz GTAFLRLTCXLKRA-GFCCVEGCSA-N 1 0 381.444 1.083 20 0 GDADRO C[C@H](CNC(=O)c1ccns1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575034953 951259899 /nfs/dbraw/zinc/25/98/99/951259899.db2.gz RFWCZVBUNCJIED-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](CNC(=O)c1ccnc(-n2cccc2)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575036308 951291395 /nfs/dbraw/zinc/29/13/95/951291395.db2.gz QYJGANSYTFJCDK-CYBMUJFWSA-N 1 0 389.423 1.100 20 0 GDADRO C[C@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575042934 951376181 /nfs/dbraw/zinc/37/61/81/951376181.db2.gz DMFIJMLCPSNVQI-NEPJUHHUSA-N 1 0 381.444 1.008 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575043332 951387165 /nfs/dbraw/zinc/38/71/65/951387165.db2.gz QIKPLRSOELLORD-CYBMUJFWSA-N 1 0 382.472 1.632 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)o1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575043282 951387452 /nfs/dbraw/zinc/38/74/52/951387452.db2.gz HSNVGUAATXYORH-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CCF)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575054693 951496446 /nfs/dbraw/zinc/49/64/46/951496446.db2.gz KANDJJLIPUAXLW-CYBMUJFWSA-N 1 0 386.435 1.283 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2c1CCC2)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575055047 951498293 /nfs/dbraw/zinc/49/82/93/951498293.db2.gz MKNLZKBVSPVDDC-ZDUSSCGKSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575055349 951504425 /nfs/dbraw/zinc/50/44/25/951504425.db2.gz RFSSSJJCTUOTMY-LLVKDONJSA-N 1 0 390.398 1.080 20 0 GDADRO C[C@@H](CNC(=O)c1conc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575058001 951531944 /nfs/dbraw/zinc/53/19/44/951531944.db2.gz UAJZZPYYLMCCAG-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1ncc(F)cc1F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575062417 951568129 /nfs/dbraw/zinc/56/81/29/951568129.db2.gz VWOASPBROQCIPN-SECBINFHSA-N 1 0 391.357 1.587 20 0 GDADRO C[C@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575065272 951581528 /nfs/dbraw/zinc/58/15/28/951581528.db2.gz BBITZCDBFBJIBR-NSHDSACASA-N 1 0 384.444 1.447 20 0 GDADRO C[C@@H](CNC(=O)c1noc2c1CCCC2)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575066968 951601366 /nfs/dbraw/zinc/60/13/66/951601366.db2.gz ODKKQTOYKRIPIU-NSHDSACASA-N 1 0 382.428 1.383 20 0 GDADRO C[C@@H](CNC(=O)c1noc2c1CCCCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575067445 951611891 /nfs/dbraw/zinc/61/18/91/951611891.db2.gz SOJDBTLNYASCOM-NSHDSACASA-N 1 0 382.428 1.171 20 0 GDADRO C[C@@H](CNC(=O)c1ncoc1C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575067592 951617028 /nfs/dbraw/zinc/61/70/28/951617028.db2.gz WDXYNAUUSBPSLN-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1nccn2ccnc12)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575067849 951623940 /nfs/dbraw/zinc/62/39/40/951623940.db2.gz PNNGHYSLHSGZNX-ZDUSSCGKSA-N 1 0 391.439 1.160 20 0 GDADRO CC(C)c1nnsc1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575070687 951653569 /nfs/dbraw/zinc/65/35/69/951653569.db2.gz TYPLTPDYEBEEIG-LLVKDONJSA-N 1 0 386.485 1.750 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@H](O)C1CCCCC1 ZINC001575077131 951662589 /nfs/dbraw/zinc/66/25/89/951662589.db2.gz CYCDMHFUXRNFJK-WBMJQRKESA-N 1 0 375.477 1.092 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)n1cccn1 ZINC001575077230 951664889 /nfs/dbraw/zinc/66/48/89/951664889.db2.gz AYPNWAKBGJHEQJ-CHWSQXEVSA-N 1 0 386.435 1.305 20 0 GDADRO C[C@@H](C[NH2+]Cc1c(F)cccc1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077638 951672598 /nfs/dbraw/zinc/67/25/98/951672598.db2.gz HKBTYWZCLYRHOK-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCC1(F)F)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078066 951678151 /nfs/dbraw/zinc/67/81/51/951678151.db2.gz JQQYOMILHJESKP-MFKMUULPSA-N 1 0 382.390 1.893 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccc(F)cn1 ZINC001575079061 951687270 /nfs/dbraw/zinc/68/72/70/951687270.db2.gz PCJWQOSMKMANRH-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](CNC(=O)C1CCOCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575079119 951687867 /nfs/dbraw/zinc/68/78/67/951687867.db2.gz LLCLANLPUKESAJ-GFCCVEGCSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CCn1ccnc1 ZINC001575079394 951690473 /nfs/dbraw/zinc/69/04/73/951690473.db2.gz DNLJNUJMORATFI-CYBMUJFWSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@H](CNC(=O)c1ccccc1O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079705 951696631 /nfs/dbraw/zinc/69/66/31/951696631.db2.gz FXGPAIBKLGONIS-LBPRGKRZSA-N 1 0 384.415 1.867 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccncc1F ZINC001575079897 951699651 /nfs/dbraw/zinc/69/96/51/951699651.db2.gz SLVRKTIZTJEJRB-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)CC[C@@H]1CCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080074 951702842 /nfs/dbraw/zinc/70/28/42/951702842.db2.gz ULVOPJVSTITAPO-BBRMVZONSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@H]1CCCO1 ZINC001575080101 951704313 /nfs/dbraw/zinc/70/43/13/951704313.db2.gz UUGJXURVTBFWFO-IUODEOHRSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575080103 951704751 /nfs/dbraw/zinc/70/47/51/951704751.db2.gz UUGJXURVTBFWFO-WFASDCNBSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@H](CNC(=O)c1cccc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080407 951708821 /nfs/dbraw/zinc/70/88/21/951708821.db2.gz LATLDAKLIINFQQ-NSHDSACASA-N 1 0 385.403 1.262 20 0 GDADRO C[C@H](CNC(=O)C1CCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080449 951711111 /nfs/dbraw/zinc/71/11/11/951711111.db2.gz MDNKATYFVDFLEZ-LBPRGKRZSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081581 951723785 /nfs/dbraw/zinc/72/37/85/951723785.db2.gz QMXGLPRNGXLVMU-HIFRSBDPSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)CC1(O)CCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082875 951738128 /nfs/dbraw/zinc/73/81/28/951738128.db2.gz YVSUGYBQDNVMDQ-GFCCVEGCSA-N 1 0 376.436 1.153 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089027 951746268 /nfs/dbraw/zinc/74/62/68/951746268.db2.gz COTPDDBYBWETBS-ZDUSSCGKSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575090286 951759923 /nfs/dbraw/zinc/75/99/23/951759923.db2.gz KGKBZFDSRDYIEF-SGTLLEGYSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccncc1F ZINC001575090630 951761836 /nfs/dbraw/zinc/76/18/36/951761836.db2.gz MTDLOUWRKQOSKS-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CCn1cccn1 ZINC001575090655 951761948 /nfs/dbraw/zinc/76/19/48/951761948.db2.gz KZNJMXDZKGDRPX-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1cccnc1)C1CC1 ZINC001575091290 951773156 /nfs/dbraw/zinc/77/31/56/951773156.db2.gz PYRAAFLSXAUNAF-HXUWFJFHSA-N 1 0 377.452 1.950 20 0 GDADRO C[C@@H](CNC(=O)CCn1cccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091329 951774218 /nfs/dbraw/zinc/77/42/18/951774218.db2.gz RKFXTCNFZPCPBG-CYBMUJFWSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@@H](CNC(=O)C1(c2ccccn2)CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091676 951782031 /nfs/dbraw/zinc/78/20/31/951782031.db2.gz UOQAPFJRGGGBAX-OAHLLOKOSA-N 1 0 391.479 1.835 20 0 GDADRO C[C@H](CNC(=O)CCc1nccs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091822 951783519 /nfs/dbraw/zinc/78/35/19/951783519.db2.gz VELKHVSVQWKEJH-ZDUSSCGKSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575091932 951786616 /nfs/dbraw/zinc/78/66/16/951786616.db2.gz ZEXMFWPTNHTQCV-XJKSGUPXSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575092153 951790229 /nfs/dbraw/zinc/79/02/29/951790229.db2.gz AIIUUKXVGCABFM-XDKFSHSGSA-N 1 0 384.484 1.618 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1cncs1 ZINC001575093010 951796408 /nfs/dbraw/zinc/79/64/08/951796408.db2.gz GTIIAQZRRXBGGB-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1cccnc1 ZINC001575093007 951797256 /nfs/dbraw/zinc/79/72/56/951797256.db2.gz GSWSMBLSRRSFBE-HNNXBMFYSA-N 1 0 379.468 1.831 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1cncn1C ZINC001575093839 951802222 /nfs/dbraw/zinc/80/22/22/951802222.db2.gz LDPGLZZAQUBLCS-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)n1cc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001575095131 951808209 /nfs/dbraw/zinc/80/82/09/951808209.db2.gz SCOFOYAHMIOTBW-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1ncccn1 ZINC001575099354 951831424 /nfs/dbraw/zinc/83/14/24/951831424.db2.gz KNJLYPXBOVOOKG-GFCCVEGCSA-N 1 0 386.485 1.288 20 0 GDADRO C[C@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099334 951831909 /nfs/dbraw/zinc/83/19/09/951831909.db2.gz KFYHFNQPKYKNMT-QMMMGPOBSA-N 1 0 379.471 1.246 20 0 GDADRO C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099433 951835560 /nfs/dbraw/zinc/83/55/60/951835560.db2.gz LWPHZUVCRCVJBV-PNPHSEOMSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100933 951850586 /nfs/dbraw/zinc/85/05/86/951850586.db2.gz XBSJLJKNVKZAHU-ZDUSSCGKSA-N 1 0 386.481 1.849 20 0 GDADRO C[C@@H](CNC(=O)[C@]1(C)CCCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101385 951857247 /nfs/dbraw/zinc/85/72/47/951857247.db2.gz CTKGMMSSZSIZGM-BFUOFWGJSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](CNC(=O)CCc1nccs1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104094 951881400 /nfs/dbraw/zinc/88/14/00/951881400.db2.gz BGZHYLUEAYALHT-ZDUSSCGKSA-N 1 0 385.497 1.798 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1Cc2cccnc2C1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104448 951886335 /nfs/dbraw/zinc/88/63/35/951886335.db2.gz CSSFWTUGCCDDOG-KDOFPFPSSA-N 1 0 391.479 1.519 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CC1(O)CCC1 ZINC001575105235 951891691 /nfs/dbraw/zinc/89/16/91/951891691.db2.gz IFGDIUJJCPIOOR-GFCCVEGCSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@H](CNC(=O)C[C@H](C)n1ccnc1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105457 951893815 /nfs/dbraw/zinc/89/38/15/951893815.db2.gz JYRWKSVACVEHHQ-GJZGRUSLSA-N 1 0 382.472 1.556 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C[NH2+]Cc1ccc2c(c1)COC2 ZINC001575105630 951895704 /nfs/dbraw/zinc/89/57/04/951895704.db2.gz LWPDJCRZRICKOQ-GFCCVEGCSA-N 1 0 381.440 1.381 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc2ncccc2c1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575106549 951905176 /nfs/dbraw/zinc/90/51/76/951905176.db2.gz SAMIPGTWYCJYNR-CYBMUJFWSA-N 1 0 390.451 1.993 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001575106820 951907536 /nfs/dbraw/zinc/90/75/36/951907536.db2.gz VDBLJEFUOGGKBY-FXAWDEMLSA-N 1 0 384.484 1.810 20 0 GDADRO 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OKGYGCSDMQKKQE-LLVKDONJSA-N 1 0 382.428 1.123 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575148243 952203844 /nfs/dbraw/zinc/20/38/44/952203844.db2.gz ZBJWRBNAWOPONL-LLVKDONJSA-N 1 0 387.394 1.463 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575164962 952301289 /nfs/dbraw/zinc/30/12/89/952301289.db2.gz PASRIQCUHMMGQF-RYUDHWBXSA-N 1 0 376.440 1.001 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575165921 952315314 /nfs/dbraw/zinc/31/53/14/952315314.db2.gz RFGKSNNNYRCNBZ-GWCFXTLKSA-N 1 0 378.868 1.268 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575165927 952317658 /nfs/dbraw/zinc/31/76/58/952317658.db2.gz RFGKSNNNYRCNBZ-ZWNOBZJWSA-N 1 0 378.868 1.268 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001575188551 952449269 /nfs/dbraw/zinc/44/92/69/952449269.db2.gz JKJWSFHCVVOFDN-CHWSQXEVSA-N 1 0 383.431 1.618 20 0 GDADRO 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O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CC1(F)F ZINC001571120385 952501505 /nfs/dbraw/zinc/50/15/05/952501505.db2.gz LZMONIUIVGEJDI-DZGCQCFKSA-N 1 0 376.411 1.850 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575201487 952503236 /nfs/dbraw/zinc/50/32/36/952503236.db2.gz PPKNEXJHEJPGHF-XJKSGUPXSA-N 1 0 380.456 1.159 20 0 GDADRO CO[C@@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571122223 952523523 /nfs/dbraw/zinc/52/35/23/952523523.db2.gz HEMNOIMYTWLWFJ-JSGCOSHPSA-N 1 0 376.436 1.511 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1CCOC1 ZINC001571121971 952524212 /nfs/dbraw/zinc/52/42/12/952524212.db2.gz GPWMQEGGYVUYSY-YNEHKIRRSA-N 1 0 376.486 1.339 20 0 GDADRO CO[C@H](C)C(=O)N1CCC[C@H]1CN(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571123103 952527289 /nfs/dbraw/zinc/52/72/89/952527289.db2.gz OXDGAMBPDCTLKT-DOMZBBRYSA-N 1 0 376.436 1.464 20 0 GDADRO 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ZINC001571124735 952544237 /nfs/dbraw/zinc/54/42/37/952544237.db2.gz SLZIHNFUNWWTLT-CYBMUJFWSA-N 1 0 377.399 1.700 20 0 GDADRO O=C(c1ccncc1)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571127350 952554304 /nfs/dbraw/zinc/55/43/04/952554304.db2.gz DZJNMXYWENNIFA-UHFFFAOYSA-N 1 0 377.452 1.904 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575213615 952558762 /nfs/dbraw/zinc/55/87/62/952558762.db2.gz COZVJOROCPBMPL-NSHDSACASA-N 1 0 379.415 1.768 20 0 GDADRO O=C(Cc1ccccc1)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571128063 952562352 /nfs/dbraw/zinc/56/23/52/952562352.db2.gz OLPAMVOKVDWHHA-HOTGVXAUSA-N 1 0 377.452 1.623 20 0 GDADRO C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1C[NH+](C/C=C/c2ccccc2)C1 ZINC001571128475 952567581 /nfs/dbraw/zinc/56/75/81/952567581.db2.gz UHASCVRSFYSWIC-GPAKFWEMSA-N 1 0 377.452 1.958 20 0 GDADRO Cc1cccnc1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571128636 952569672 /nfs/dbraw/zinc/56/96/72/952569672.db2.gz VOZYRUVMRUOJKM-QGZVFWFLSA-N 1 0 377.452 1.965 20 0 GDADRO Cc1cncc(C(=O)N[C@H]2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001571133993 952584045 /nfs/dbraw/zinc/58/40/45/952584045.db2.gz ATCVQCLUZKLHEY-CJNGLKHVSA-N 1 0 378.440 1.398 20 0 GDADRO Cc1cc(N(C)C2CCN(C(=O)c3cccnc3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134121 952586152 /nfs/dbraw/zinc/58/61/52/952586152.db2.gz ALJXYHZWBKBSJC-UHFFFAOYSA-N 1 0 378.440 1.706 20 0 GDADRO Cc1ccc(C(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H](C)C2)nc1C ZINC001571134129 952586334 /nfs/dbraw/zinc/58/63/34/952586334.db2.gz FABARNCUZQQGCU-SJCJKPOMSA-N 1 0 378.440 1.268 20 0 GDADRO Cc1nccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571134454 952590966 /nfs/dbraw/zinc/59/09/66/952590966.db2.gz IHGYKRJAZPJPJG-INIZCTEOSA-N 1 0 378.440 1.360 20 0 GDADRO Cc1cc(C(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571135348 952602249 /nfs/dbraw/zinc/60/22/49/952602249.db2.gz UMHBFKVBAHZNGZ-UHFFFAOYSA-N 1 0 378.440 1.316 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@H]2C)cnn1 ZINC001571135430 952603906 /nfs/dbraw/zinc/60/39/06/952603906.db2.gz VUHHPWMKJFJKRX-CJNGLKHVSA-N 1 0 378.440 1.358 20 0 GDADRO Cc1cc(N2CC[C@H](N(C)C(=O)Cc3cccnc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135551 952606158 /nfs/dbraw/zinc/60/61/58/952606158.db2.gz WJTSJMRSWSXNHH-HNNXBMFYSA-N 1 0 378.440 1.245 20 0 GDADRO C[C@]12CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]1C[N@H+](Cc1cccnc1)C2 ZINC001571135550 952606165 /nfs/dbraw/zinc/60/61/65/952606165.db2.gz WJQMYYSNSCRRRE-KUHUBIRLSA-N 1 0 378.440 1.184 20 0 GDADRO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571141961 952637819 /nfs/dbraw/zinc/63/78/19/952637819.db2.gz LWEYHBKBBFXKIK-HSKGYUPQSA-N 1 0 378.480 1.849 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccncn1 ZINC001571142343 952641062 /nfs/dbraw/zinc/64/10/62/952641062.db2.gz PRAWUXASDAWSKX-JKSUJKDBSA-N 1 0 378.440 1.345 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)c1cc[nH]c(=O)c1 ZINC001571142450 952641638 /nfs/dbraw/zinc/64/16/38/952641638.db2.gz WNWFLROOFSXTIZ-UHFFFAOYSA-N 1 0 379.424 1.362 20 0 GDADRO COCC[NH+](CCOC)C1CCN(c2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571142541 952642916 /nfs/dbraw/zinc/64/29/16/952642916.db2.gz UGCXLGGSQZUCIS-UHFFFAOYSA-N 1 0 378.452 1.569 20 0 GDADRO C[C@@H]([NH2+]CCC(=O)NC(N)=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC001571142536 952642994 /nfs/dbraw/zinc/64/29/94/952642994.db2.gz WWMIVIZNEVQOOB-GFCCVEGCSA-N 1 0 379.424 1.769 20 0 GDADRO C[C@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571142547 952643119 /nfs/dbraw/zinc/64/31/19/952643119.db2.gz XABYUVLLFBPWBR-BLLLJJGKSA-N 1 0 379.424 1.218 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001571151178 952673793 /nfs/dbraw/zinc/67/37/93/952673793.db2.gz NABZKJMWWCJEGM-CRAIPNDOSA-N 1 0 379.468 1.962 20 0 GDADRO Cc1ccc(CC[NH2+]C2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)cc1 ZINC001571151762 952678438 /nfs/dbraw/zinc/67/84/38/952678438.db2.gz WTNIZRJIURTPSS-UHFFFAOYSA-N 1 0 379.468 1.940 20 0 GDADRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccn(C)c1 ZINC001571151776 952678860 /nfs/dbraw/zinc/67/88/60/952678860.db2.gz XFTKMLNFWFBGBS-RHSMWYFYSA-N 1 0 379.468 1.988 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571152912 952684330 /nfs/dbraw/zinc/68/43/30/952684330.db2.gz KWWDTDUKODWUPB-LBPRGKRZSA-N 1 0 379.490 1.084 20 0 GDADRO O=C(c1cc(C2CC2)no1)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571160510 952725951 /nfs/dbraw/zinc/72/59/51/952725951.db2.gz IOOITXRECMMQEK-GFCCVEGCSA-N 1 0 380.412 1.266 20 0 GDADRO O=C(c1ocnc1C1CC1)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571162380 952743281 /nfs/dbraw/zinc/74/32/81/952743281.db2.gz SJHILYXRAOKJDM-GFCCVEGCSA-N 1 0 380.412 1.266 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165606 952753328 /nfs/dbraw/zinc/75/33/28/952753328.db2.gz GVKKQUMHXAKSAA-GUYCJALGSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571166003 952756957 /nfs/dbraw/zinc/75/69/57/952756957.db2.gz JZPSUQNBIYDOMV-PBHICJAKSA-N 1 0 380.456 1.233 20 0 GDADRO CCc1cc(C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)[nH]n1 ZINC001571166002 952757374 /nfs/dbraw/zinc/75/73/74/952757374.db2.gz JYQBJHHHPRVAIV-UHFFFAOYSA-N 1 0 380.456 1.547 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)c2cncn2C)C1 ZINC001571166235 952760090 /nfs/dbraw/zinc/76/00/90/952760090.db2.gz KLGSGXFWLSJSRS-CJNGLKHVSA-N 1 0 380.456 1.241 20 0 GDADRO CC(C)n1nccc1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571166847 952766989 /nfs/dbraw/zinc/76/69/89/952766989.db2.gz QLSKMUDHTCRSOR-HNNXBMFYSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571167071 952768991 /nfs/dbraw/zinc/76/89/91/952768991.db2.gz UYOJEZLSXRZGGC-RHSMWYFYSA-N 1 0 380.456 1.090 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccn(C)c2)CC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571167126 952769920 /nfs/dbraw/zinc/76/99/20/952769920.db2.gz WBWJLSPBKXMRJC-ZIAGYGMSSA-N 1 0 380.456 1.232 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571169403 952773642 /nfs/dbraw/zinc/77/36/42/952773642.db2.gz BNJRJBWBFFLVBP-OAHLLOKOSA-N 1 0 380.456 1.683 20 0 GDADRO Cc1nc(C)c(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571169521 952774867 /nfs/dbraw/zinc/77/48/67/952774867.db2.gz FNKGZEVIFGYOAR-INIZCTEOSA-N 1 0 380.456 1.601 20 0 GDADRO Cc1cccnc1C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571169712 952777043 /nfs/dbraw/zinc/77/70/43/952777043.db2.gz LAAFNINQRGCSOD-AWEZNQCLSA-N 1 0 380.456 1.540 20 0 GDADRO Cc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571169803 952779482 /nfs/dbraw/zinc/77/94/82/952779482.db2.gz NYJDKNIRHCVMPT-HUUCEWRRSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1cc(C)c(C(=O)NC[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)[nH]1 ZINC001571169866 952779669 /nfs/dbraw/zinc/77/96/69/952779669.db2.gz PMCIAEFXSIEETF-AWEZNQCLSA-N 1 0 380.456 1.771 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cc[nH]n2)[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170071 952782799 /nfs/dbraw/zinc/78/27/99/952782799.db2.gz SBPXASLLAPAMPG-HIFRSBDPSA-N 1 0 380.456 1.620 20 0 GDADRO Cc1nc(C)c(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)[nH]1 ZINC001571170166 952783978 /nfs/dbraw/zinc/78/39/78/952783978.db2.gz UQBOQPMESRMJFD-BDJLRTHQSA-N 1 0 380.456 1.599 20 0 GDADRO Cc1c(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cnn1C ZINC001571170453 952785745 /nfs/dbraw/zinc/78/57/45/952785745.db2.gz UVDKQYFSFLVXSN-KOMQPUFPSA-N 1 0 380.456 1.207 20 0 GDADRO Cc1ccn(C)c1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001571170883 952790022 /nfs/dbraw/zinc/79/00/22/952790022.db2.gz YPUYMFRXANWLDR-KBPBESRZSA-N 1 0 380.456 1.436 20 0 GDADRO CCn1cnc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571170927 952790255 /nfs/dbraw/zinc/79/02/55/952790255.db2.gz ZQABQGXOCWVWHU-CQSZACIVSA-N 1 0 380.456 1.335 20 0 GDADRO Cn1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571171955 952799072 /nfs/dbraw/zinc/79/90/72/952799072.db2.gz JWIRKDXYKRTFTD-HOCLYGCPSA-N 1 0 380.456 1.289 20 0 GDADRO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001571172159 952802508 /nfs/dbraw/zinc/80/25/08/952802508.db2.gz OBVQUHVCXNDMFC-SJKOYZFVSA-N 1 0 380.456 1.159 20 0 GDADRO Cc1ncn(C)c1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172263 952803709 /nfs/dbraw/zinc/80/37/09/952803709.db2.gz RCWAYRIJBAHRIB-CTYIDZIISA-N 1 0 380.456 1.207 20 0 GDADRO O=C(Cn1cccn1)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172258 952804091 /nfs/dbraw/zinc/80/40/91/952804091.db2.gz QYAHMYXEXAFRHH-DOTOQJQBSA-N 1 0 380.456 1.138 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571178234 952837182 /nfs/dbraw/zinc/83/71/82/952837182.db2.gz CDISHFBBHTWOAE-SJKOYZFVSA-N 1 0 381.415 1.651 20 0 GDADRO C[C@@H](NC(=O)c1ncccc1F)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571178566 952843945 /nfs/dbraw/zinc/84/39/45/952843945.db2.gz NFURKSKWHKTTKA-GFCCVEGCSA-N 1 0 381.415 1.651 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CN1C(=O)c1ccncc1 ZINC001571178868 952849370 /nfs/dbraw/zinc/84/93/70/952849370.db2.gz WVMOEPCWQQCZDP-LRDDRELGSA-N 1 0 381.415 1.794 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)[C@H]2C)no1 ZINC001571179353 952851579 /nfs/dbraw/zinc/85/15/79/952851579.db2.gz BQVSZGZTWNEZQB-XJKSGUPXSA-N 1 0 381.440 1.946 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C)no1 ZINC001571179349 952852344 /nfs/dbraw/zinc/85/23/44/952852344.db2.gz BQVSZGZTWNEZQB-CJNGLKHVSA-N 1 0 381.440 1.946 20 0 GDADRO Cc1nc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571179622 952855331 /nfs/dbraw/zinc/85/53/31/952855331.db2.gz HLCSNWLUUCQWCE-HOCLYGCPSA-N 1 0 381.440 1.851 20 0 GDADRO Cc1cc(N2C[C@H](NC(=O)Cc3ccoc3)CC[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180437 952858789 /nfs/dbraw/zinc/85/87/89/952858789.db2.gz OLRYQPGEIDVQLA-UKRRQHHQSA-N 1 0 381.440 1.879 20 0 GDADRO Cc1conc1C(=O)N1CCC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571180218 952859148 /nfs/dbraw/zinc/85/91/48/952859148.db2.gz MMQPPCQTXHHZJY-UHFFFAOYSA-N 1 0 381.440 1.805 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[N@@H+](Cc2ccc(CO)cc2)CC1 ZINC001571181346 952862913 /nfs/dbraw/zinc/86/29/13/952862913.db2.gz UNEGXSLABNZTGY-UHFFFAOYSA-N 1 0 381.440 1.035 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC001571181778 952865651 /nfs/dbraw/zinc/86/56/51/952865651.db2.gz YGSGXGZKVIGXDL-GDBMZVCRSA-N 1 0 381.440 1.851 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC001571182642 952867157 /nfs/dbraw/zinc/86/71/57/952867157.db2.gz AFOKCNNGKLRMKA-OAHLLOKOSA-N 1 0 381.440 1.218 20 0 GDADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cn1 ZINC001571182801 952869667 /nfs/dbraw/zinc/86/96/67/952869667.db2.gz GBXCJOMLBIEESO-MRXNPFEDSA-N 1 0 381.415 1.795 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cn1 ZINC001571182800 952869803 /nfs/dbraw/zinc/86/98/03/952869803.db2.gz GBXCJOMLBIEESO-INIZCTEOSA-N 1 0 381.415 1.795 20 0 GDADRO Cc1cccnc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571182824 952869976 /nfs/dbraw/zinc/86/99/76/952869976.db2.gz GRRNRFZNFOHQKR-AWEZNQCLSA-N 1 0 381.415 1.714 20 0 GDADRO C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCc1ccoc1 ZINC001571182969 952871794 /nfs/dbraw/zinc/87/17/94/952871794.db2.gz LAFRZVPKCWRAPM-HIFRSBDPSA-N 1 0 381.440 1.701 20 0 GDADRO CCc1oncc1C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571183124 952874152 /nfs/dbraw/zinc/87/41/52/952874152.db2.gz PJRHYBJVFIUTEC-UHFFFAOYSA-N 1 0 381.440 1.812 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571183726 952882413 /nfs/dbraw/zinc/88/24/13/952882413.db2.gz IDKQJAOGODAHRV-WBMJQRKESA-N 1 0 381.444 1.015 20 0 GDADRO Cc1nn[nH]c1C(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571187956 952911189 /nfs/dbraw/zinc/91/11/89/952911189.db2.gz DIZJBLJKWCAIAN-LSDHHAIUSA-N 1 0 381.444 1.124 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)c3cnn(C(C)C)c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571189070 952923577 /nfs/dbraw/zinc/92/35/77/952923577.db2.gz RKNBUVFQANFLAF-AWEZNQCLSA-N 1 0 381.444 1.356 20 0 GDADRO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)ncn1 ZINC001571189573 952930328 /nfs/dbraw/zinc/93/03/28/952930328.db2.gz XNRBSQNJFHWVEN-CHWSQXEVSA-N 1 0 381.444 1.076 20 0 GDADRO Cc1nccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)n1 ZINC001571197409 952989730 /nfs/dbraw/zinc/98/97/30/952989730.db2.gz ZKVKMKCUEVXKBY-ZDUSSCGKSA-N 1 0 382.403 1.109 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Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571201090 953015207 /nfs/dbraw/zinc/01/52/07/953015207.db2.gz JQVITKFTBSKNIG-CVEARBPZSA-N 1 0 382.428 1.370 20 0 GDADRO O=C(c1cccnn1)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571201096 953015349 /nfs/dbraw/zinc/01/53/49/953015349.db2.gz MOIMBPGKYOWPBD-CYBMUJFWSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1cnoc1C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571202537 953026822 /nfs/dbraw/zinc/02/68/22/953026822.db2.gz UPCLSPIBFVUXFB-QWHCGFSZSA-N 1 0 382.428 1.190 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)[C@@H]3CC34CC4)C2)cc1-c1nn[nH]n1 ZINC001571210212 953071469 /nfs/dbraw/zinc/07/14/69/953071469.db2.gz OLKJZEVYRNDBEP-KXBFYZLASA-N 1 0 382.468 1.756 20 0 GDADRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001571210424 953072154 /nfs/dbraw/zinc/07/21/54/953072154.db2.gz RJYFRNDMNYULDI-LBPRGKRZSA-N 1 0 382.465 1.405 20 0 GDADRO COc1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1F ZINC001571216635 953102984 /nfs/dbraw/zinc/10/29/84/953102984.db2.gz AINPGFXIPMQPMD-GFCCVEGCSA-N 1 0 383.387 1.158 20 0 GDADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(-c2nn[nH]n2)c1Cl ZINC001571217353 953106986 /nfs/dbraw/zinc/10/69/86/953106986.db2.gz FWMDYEZWNSKNRH-LLVKDONJSA-N 1 0 382.877 1.283 20 0 GDADRO COc1ccc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1F ZINC001571217360 953108340 /nfs/dbraw/zinc/10/83/40/953108340.db2.gz IORMEDIBUHCPIG-HAQNSBGRSA-N 1 0 383.387 1.204 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)c1cocn1 ZINC001571217868 953111061 /nfs/dbraw/zinc/11/10/61/953111061.db2.gz QZIGWBFQWNVFJN-ZSOGYDGISA-N 1 0 383.387 1.102 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)c1 ZINC001571229172 953168762 /nfs/dbraw/zinc/16/87/62/953168762.db2.gz AFLGELCAEZODMJ-AWEZNQCLSA-N 1 0 383.431 1.596 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1[NH2+]CCc1ccccc1F ZINC001571229731 953171301 /nfs/dbraw/zinc/17/13/01/953171301.db2.gz LJHPMFPUVSWTBF-SJKOYZFVSA-N 1 0 383.431 1.627 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC34CCOCC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571233329 953191822 /nfs/dbraw/zinc/19/18/22/953191822.db2.gz RXUHWIRYLKYWJF-ZFWWWQNUSA-N 1 0 383.456 1.082 20 0 GDADRO C[C@H]1CN(C(=O)c2ccns2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571233751 953195199 /nfs/dbraw/zinc/19/51/99/953195199.db2.gz CJAZYDYKWOIPCM-SWLSCSKDSA-N 1 0 383.481 1.964 20 0 GDADRO O=C(CCc1cncs1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233824 953196339 /nfs/dbraw/zinc/19/63/39/953196339.db2.gz FKUCAFIDJDLJDZ-OAHLLOKOSA-N 1 0 383.481 1.647 20 0 GDADRO C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1CNC(=O)c1cncs1 ZINC001571234303 953200536 /nfs/dbraw/zinc/20/05/36/953200536.db2.gz TVNQLRUSGJUBDL-IUODEOHRSA-N 1 0 383.481 1.821 20 0 GDADRO Cc1ncc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)s1 ZINC001571234433 953202209 /nfs/dbraw/zinc/20/22/09/953202209.db2.gz XKPPDWUSSNOZKA-HNNXBMFYSA-N 1 0 383.481 1.978 20 0 GDADRO C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571239108 953235273 /nfs/dbraw/zinc/23/52/73/953235273.db2.gz GDTYVFFDCZBSPR-BXUZGUMPSA-N 1 0 384.419 1.227 20 0 GDADRO CCc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571239897 953243419 /nfs/dbraw/zinc/24/34/19/953243419.db2.gz UHIAULIDANYAFX-HDJSIYSDSA-N 1 0 384.419 1.342 20 0 GDADRO CCc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)[nH]n1 ZINC001571240074 953246663 /nfs/dbraw/zinc/24/66/63/953246663.db2.gz ZCQLEVMKWKTDEV-CYBMUJFWSA-N 1 0 384.419 1.296 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)c[nH]1 ZINC001571242017 953251876 /nfs/dbraw/zinc/25/18/76/953251876.db2.gz SVNWXNDQAGYZMN-CQSZACIVSA-N 1 0 384.419 1.432 20 0 GDADRO O=C(COc1ccsc1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571244965 953269174 /nfs/dbraw/zinc/26/91/74/953269174.db2.gz BHLJRRNIBUIYKJ-HNNXBMFYSA-N 1 0 384.465 1.698 20 0 GDADRO Cc1ncc(C(=O)NC[C@@H]2CCCN2c2cc(C)[nH+]cc2-c2nn[nH]n2)s1 ZINC001571245149 953270348 /nfs/dbraw/zinc/27/03/48/953270348.db2.gz OTCVNVMAQSSKDR-LBPRGKRZSA-N 1 0 384.469 1.734 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571245912 953278599 /nfs/dbraw/zinc/27/85/99/953278599.db2.gz OLAVLLIPJFUFCX-RISCZKNCSA-N 1 0 384.469 1.501 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)c2cnns2)C1 ZINC001571245961 953278644 /nfs/dbraw/zinc/27/86/44/953278644.db2.gz PLROCEBMSHYONN-RISCZKNCSA-N 1 0 384.469 1.359 20 0 GDADRO CO[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001571247554 953283552 /nfs/dbraw/zinc/28/35/52/953283552.db2.gz AFNQVWUPXFMEBX-GOSISDBHSA-N 1 0 384.484 1.716 20 0 GDADRO CC[C@@H]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)O1 ZINC001571247756 953286290 /nfs/dbraw/zinc/28/62/90/953286290.db2.gz DHSCLMZIMUDGHU-VUNQQRPYSA-N 1 0 384.484 1.809 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@H]1CCCN1C(=O)[C@]1(C)CCOC1 ZINC001571247800 953286370 /nfs/dbraw/zinc/28/63/70/953286370.db2.gz FIVWFPQUPLFIGG-OXQOHEQNSA-N 1 0 384.484 1.716 20 0 GDADRO CC[C@H](OC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571247990 953288402 /nfs/dbraw/zinc/28/84/02/953288402.db2.gz KMQDUGGBJTXUJL-FXAWDEMLSA-N 1 0 384.484 1.716 20 0 GDADRO Cc1ncoc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571248057 953288871 /nfs/dbraw/zinc/28/88/71/953288871.db2.gz CZKAZJQVYZPGMW-OCCSQVGLSA-N 1 0 384.444 1.570 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC001571248419 953293144 /nfs/dbraw/zinc/29/31/44/953293144.db2.gz SXADYUBGSQXDPP-AEFFLSMTSA-N 1 0 384.484 1.716 20 0 GDADRO C[C@@H]1C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571248436 953293201 /nfs/dbraw/zinc/29/32/01/953293201.db2.gz TVYYITJQMICXNM-MOIQIXESSA-N 1 0 384.484 1.666 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(C)=O)C2)C1 ZINC001571248733 953297365 /nfs/dbraw/zinc/29/73/65/953297365.db2.gz YJJVOWWZDDJSJV-DLBZAZTESA-N 1 0 384.484 1.956 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571248876 953298627 /nfs/dbraw/zinc/29/86/27/953298627.db2.gz KXZZRXVCTHFJHK-SWLSCSKDSA-N 1 0 384.444 1.570 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001571249096 953300173 /nfs/dbraw/zinc/30/01/73/953300173.db2.gz DEPKHHSLVJIOEF-RBSFLKMASA-N 1 0 384.488 1.443 20 0 GDADRO O=C([C@@H]1CCCOC1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571249185 953301536 /nfs/dbraw/zinc/30/15/36/953301536.db2.gz FNOQIXRLDJJMKV-QZTJIDSGSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCCO1 ZINC001571249417 953304275 /nfs/dbraw/zinc/30/42/75/953304275.db2.gz IOKKNNUFMUZNST-SJLPKXTDSA-N 1 0 384.484 1.907 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3CC(C)C3)C2)cc1-c1nn[nH]n1 ZINC001571249427 953304938 /nfs/dbraw/zinc/30/49/38/953304938.db2.gz IZJVJNXUDJHAOV-OGVSOVDVSA-N 1 0 384.484 1.860 20 0 GDADRO C[C@@H](NC(=O)[C@H]1CCCO1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571250023 953308005 /nfs/dbraw/zinc/30/80/05/953308005.db2.gz NIVDIJIUKRYSKI-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO O=C(CC[C@H]1CCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571250213 953308783 /nfs/dbraw/zinc/30/87/83/953308783.db2.gz OLCBSZRSDIWJPA-DOTOQJQBSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CCNc1ncccc1-c1nn[nH]n1 ZINC001571251944 953321378 /nfs/dbraw/zinc/32/13/78/953321378.db2.gz CJRBLBIWUWMCFD-FMKPAKJESA-N 1 0 384.488 1.252 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001571252009 953321579 /nfs/dbraw/zinc/32/15/79/953321579.db2.gz FBFJEFMIUAGSSY-HOCLYGCPSA-N 1 0 384.488 1.092 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001571252008 953321599 /nfs/dbraw/zinc/32/15/99/953321599.db2.gz FBFJEFMIUAGSSY-GOEBONIOSA-N 1 0 384.488 1.092 20 0 GDADRO C[N@H+](CC(=O)N1CCC(C)(Nc2ccc(-c3nn[nH]n3)nc2)CC1)C1CCC1 ZINC001571251946 953321674 /nfs/dbraw/zinc/32/16/74/953321674.db2.gz CJYFCQFANSRAMZ-UHFFFAOYSA-N 1 0 384.488 1.539 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H](Nc3ccc(-c4nn[nH]n4)nc3)C(C)(C)C2)C1 ZINC001571252612 953330981 /nfs/dbraw/zinc/33/09/81/953330981.db2.gz RJNKKLMUXCRPEK-CJNGLKHVSA-N 1 0 384.488 1.252 20 0 GDADRO Cc1conc1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)[C@@H]1C ZINC001571253871 953334547 /nfs/dbraw/zinc/33/45/47/953334547.db2.gz AANACSRYCBTLKT-NHYWBVRUSA-N 1 0 385.403 1.695 20 0 GDADRO Cc1cc(C(=O)N2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]2C)no1 ZINC001571253892 953334721 /nfs/dbraw/zinc/33/47/21/953334721.db2.gz ASBRLMVRRSEHBP-YGRLFVJLSA-N 1 0 385.403 1.695 20 0 GDADRO Cc1cnoc1C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571254051 953335928 /nfs/dbraw/zinc/33/59/28/953335928.db2.gz CNFBBZRNDVDECU-AWEZNQCLSA-N 1 0 385.403 1.697 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnco2)CC[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571254283 953337279 /nfs/dbraw/zinc/33/72/79/953337279.db2.gz FHYPOGWCRLLZKL-ABAIWWIYSA-N 1 0 385.403 1.634 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1ccc(F)cn1 ZINC001571254326 953337861 /nfs/dbraw/zinc/33/78/61/953337861.db2.gz BQQLHQPVEHEWMU-OKILXGFUSA-N 1 0 385.378 1.591 20 0 GDADRO C[C@H]1CN(C(=O)c2cnco2)C[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571254533 953339679 /nfs/dbraw/zinc/33/96/79/953339679.db2.gz HAZFWDAHBOZDAD-WCQYABFASA-N 1 0 385.403 1.492 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571254529 953340287 /nfs/dbraw/zinc/34/02/87/953340287.db2.gz HAZFWDAHBOZDAD-DGCLKSJQSA-N 1 0 385.403 1.492 20 0 GDADRO O=C(CCc1ccon1)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571254769 953342326 /nfs/dbraw/zinc/34/23/26/953342326.db2.gz IIGZRPJPRDTEGL-OAHLLOKOSA-N 1 0 385.403 1.317 20 0 GDADRO Cc1cc(C(=O)NCC2CC([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)on1 ZINC001571255610 953352026 /nfs/dbraw/zinc/35/20/26/953352026.db2.gz QUEYFVVFTPTUQK-UHFFFAOYSA-N 1 0 385.403 1.600 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC001571255835 953355078 /nfs/dbraw/zinc/35/50/78/953355078.db2.gz QLTNUAMSDPGIIG-UHFFFAOYSA-N 1 0 385.255 1.360 20 0 GDADRO O=C(Cc1cccc(F)c1F)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571255933 953360105 /nfs/dbraw/zinc/36/01/05/953360105.db2.gz RUDJLPBQBUCQOK-HAQNSBGRSA-N 1 0 385.378 1.264 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000874383096 956122573 /nfs/dbraw/zinc/12/25/73/956122573.db2.gz PKEADLWDQIDHDO-MRXNPFEDSA-N 1 0 378.473 1.655 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000874386537 956130553 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/nfs/dbraw/zinc/13/59/05/984135905.db2.gz ILJYJPTZMOQZBB-GJZGRUSLSA-N 1 0 376.505 1.236 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001589397510 986539249 /nfs/dbraw/zinc/53/92/49/986539249.db2.gz FGYHGIGXANMYKI-XFWGSAIBSA-N 1 0 385.508 1.808 20 0 GDADRO C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589399602 986561644 /nfs/dbraw/zinc/56/16/44/986561644.db2.gz ZYKTYTXEFRNHJS-FUOQNJDISA-N 1 0 385.508 1.952 20 0 GDADRO CN(C(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1C(=O)[O-] ZINC001598022518 990215480 /nfs/dbraw/zinc/21/54/80/990215480.db2.gz HPFLFOJNBUOYDL-INIZCTEOSA-N 1 0 375.469 1.438 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)CC1 ZINC001591617205 992876506 /nfs/dbraw/zinc/87/65/06/992876506.db2.gz YYTJSYYFHSVDIP-HXUWFJFHSA-N 1 0 381.517 1.057 20 0 GDADRO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001598556100 993058956 /nfs/dbraw/zinc/05/89/56/993058956.db2.gz WOFXRRIBHXJAHA-JTDSTZFVSA-N 1 0 384.480 1.653 20 0 GDADRO C[N@@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@@H](C(=O)[O-])C1 ZINC001598608720 993724250 /nfs/dbraw/zinc/72/42/50/993724250.db2.gz FMDYKZYFLQYYCU-IBGZPJMESA-N 1 0 388.512 1.830 20 0 GDADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)CC1 ZINC001593723223 996256047 /nfs/dbraw/zinc/25/60/47/996256047.db2.gz NNESEFPEWAFRCZ-RDJZCZTQSA-N 1 0 389.500 1.265 20 0 GDADRO COc1cc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1C(=O)[O-] ZINC001599411946 997439026 /nfs/dbraw/zinc/43/90/26/997439026.db2.gz PSLMMPDKQNFHRU-HZPDHXFCSA-N 1 0 392.500 1.274 20 0 GDADRO COCC[N@@H+](Cc1cc(C(=O)[O-])cc(C(=O)OC)c1)CC1CC[NH+](C)CC1 ZINC001599237983 997981884 /nfs/dbraw/zinc/98/18/84/997981884.db2.gz GCRJLFTZSVBYDZ-UHFFFAOYSA-N 1 0 378.469 1.962 20 0 GDADRO COC[C@@](C)(CC(=O)[O-])[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001599149442 998270035 /nfs/dbraw/zinc/27/00/35/998270035.db2.gz YOGBLOBWCBGPNR-OAQYLSRUSA-N 1 0 391.512 1.545 20 0 GDADRO C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+]1CCC(=O)[O-] ZINC001594465061 999682091 /nfs/dbraw/zinc/68/20/91/999682091.db2.gz KCKBKGSIIVSSIF-GOSISDBHSA-N 1 0 388.512 1.206 20 0 GDADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000877037355 1126121744 /nfs/dbraw/zinc/12/17/44/1126121744.db2.gz ODCZOXVUIMEIJR-HOTGVXAUSA-N 1 0 388.411 1.958 20 0 GDADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000931603838 1126136824 /nfs/dbraw/zinc/13/68/24/1126136824.db2.gz VXPQXTFFJCURFQ-SFHVURJKSA-N 1 0 382.482 1.622 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)cc1 ZINC000933430441 1126139310 /nfs/dbraw/zinc/13/93/10/1126139310.db2.gz HBLHJEDFNLZLTG-LJQANCHMSA-N 1 0 378.494 1.687 20 0 GDADRO OC[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC001659439432 1126263412 /nfs/dbraw/zinc/26/34/12/1126263412.db2.gz ONAJNYLLSSGHMF-HXUWFJFHSA-N 1 0 386.492 1.796 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)s1 ZINC000158688886 530534907 /nfs/dbraw/zinc/53/49/07/530534907.db2.gz LIHJREGIRRAAHB-CQSZACIVSA-N 1 0 386.543 1.118 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158707236 530535374 /nfs/dbraw/zinc/53/53/74/530535374.db2.gz PVADCHNBVLYIBY-QGZVFWFLSA-N 1 0 394.269 1.387 20 0 GDADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158920382 530537607 /nfs/dbraw/zinc/53/76/07/530537607.db2.gz NTVBROLAKYOFRD-ZDUSSCGKSA-N 1 0 391.331 1.883 20 0 GDADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccc(F)cc1C(F)(F)F ZINC000159002072 530538282 /nfs/dbraw/zinc/53/82/82/530538282.db2.gz PMGSIXBROSURDS-UHFFFAOYSA-N 1 0 384.395 1.970 20 0 GDADRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)ccc1Br ZINC000159011446 530539344 /nfs/dbraw/zinc/53/93/44/530539344.db2.gz CRALNRVVSHFBKD-UHFFFAOYSA-N 1 0 391.331 1.883 20 0 GDADRO C[C@@H](NC(=O)NCCN(C)S(=O)(=O)c1cccs1)C(C)(C)C[NH+](C)C ZINC000159194509 530541030 /nfs/dbraw/zinc/54/10/30/530541030.db2.gz NRADDTAJQNQXGJ-CYBMUJFWSA-N 1 0 390.575 1.644 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1Br ZINC000161723657 530562902 /nfs/dbraw/zinc/56/29/02/530562902.db2.gz MATLBDVTXCQYLT-CYBMUJFWSA-N 1 0 391.331 1.964 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000161938849 530564536 /nfs/dbraw/zinc/56/45/36/530564536.db2.gz MDZVBPSEWAHWHF-ZIAGYGMSSA-N 1 0 389.315 1.750 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1F ZINC000161915730 530564619 /nfs/dbraw/zinc/56/46/19/530564619.db2.gz KWFLVUFRMSQREV-VHSXEESVSA-N 1 0 393.278 1.991 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000161938594 530564624 /nfs/dbraw/zinc/56/46/24/530564624.db2.gz MDZVBPSEWAHWHF-UONOGXRCSA-N 1 0 389.315 1.750 20 0 GDADRO [NH3+][C@H]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000162133601 530566787 /nfs/dbraw/zinc/56/67/87/530566787.db2.gz JKNNPUHIHNSXAK-IUCAKERBSA-N 1 0 396.332 1.175 20 0 GDADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000162774228 530570879 /nfs/dbraw/zinc/57/08/79/530570879.db2.gz HKGORBDLJGDZFL-UHFFFAOYSA-N 1 0 391.896 1.610 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)s1 ZINC000021700250 530571120 /nfs/dbraw/zinc/57/11/20/530571120.db2.gz SGXAPTFFEBOWEH-UHFFFAOYSA-N 1 0 381.523 1.924 20 0 GDADRO C[N@H+](CC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)[C@@H]1CCSC1 ZINC000162863325 530571356 /nfs/dbraw/zinc/57/13/56/530571356.db2.gz DRGHVYYEQQKWDF-MRXNPFEDSA-N 1 0 381.929 1.948 20 0 GDADRO CC[C@@H](C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)[NH+](C)C ZINC000162909180 530571389 /nfs/dbraw/zinc/57/13/89/530571389.db2.gz MCEZAVQRTFLBDX-HNNXBMFYSA-N 1 0 387.571 1.922 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc2)cs1 ZINC000163151275 530573480 /nfs/dbraw/zinc/57/34/80/530573480.db2.gz UJSBGUGOOVJORF-OAHLLOKOSA-N 1 0 381.523 1.539 20 0 GDADRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000163730112 530577938 /nfs/dbraw/zinc/57/79/38/530577938.db2.gz MJZFOKWVVQOEGS-CYBMUJFWSA-N 1 0 384.274 1.603 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000165380265 530580916 /nfs/dbraw/zinc/58/09/16/530580916.db2.gz YSMGXNZJWSCMMP-NWDGAFQWSA-N 1 0 381.274 1.631 20 0 GDADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000166051825 530582292 /nfs/dbraw/zinc/58/22/92/530582292.db2.gz KIUPBASWBAIBKN-UHFFFAOYSA-N 1 0 376.563 1.813 20 0 GDADRO O=S(=O)(NCCN1CCc2sccc2C1)c1cccc2c1OCCO2 ZINC000171075135 530593579 /nfs/dbraw/zinc/59/35/79/530593579.db2.gz MHUONDNDSRNSEA-UHFFFAOYSA-N 1 0 380.491 1.856 20 0 GDADRO CN(CC(=O)N1CC[C@H]([NH+]2CCCC2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000171450542 530599968 /nfs/dbraw/zinc/59/99/68/530599968.db2.gz TYTLJYYTYHBIDT-HNNXBMFYSA-N 1 0 385.917 1.657 20 0 GDADRO COC(=O)CNC(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000171919466 530605440 /nfs/dbraw/zinc/60/54/40/530605440.db2.gz BPWFLZJPIPAOPK-UHFFFAOYSA-N 1 0 399.285 1.724 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)s1 ZINC000026854640 530586636 /nfs/dbraw/zinc/58/66/36/530586636.db2.gz WMGNFCSQANMNOB-UHFFFAOYSA-N 1 0 381.523 1.924 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000173058431 530622480 /nfs/dbraw/zinc/62/24/80/530622480.db2.gz IFLFXIAPFDNGOZ-UHFFFAOYSA-N 1 0 398.276 1.968 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)N1CC[NH+](C)CC1 ZINC000173203671 530626269 /nfs/dbraw/zinc/62/62/69/530626269.db2.gz WLQXTHBHJPAUIF-NSHDSACASA-N 1 0 394.310 1.502 20 0 GDADRO C[C@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2c[nH]c(=O)c(Br)c2)C[C@H](C)O1 ZINC000173248623 530626882 /nfs/dbraw/zinc/62/68/82/530626882.db2.gz RFPVQJDUJVECMD-OBJOEFQTSA-N 1 0 398.301 1.851 20 0 GDADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000042753204 530631344 /nfs/dbraw/zinc/63/13/44/530631344.db2.gz KRMIWDYALPJLNZ-QGZVFWFLSA-N 1 0 382.551 1.819 20 0 GDADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)CCS(C)(=O)=O)cc2)C1 ZINC000173031079 530621151 /nfs/dbraw/zinc/62/11/51/530621151.db2.gz VQSLVYLVGHZFBX-OAHLLOKOSA-N 1 0 388.555 1.383 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000176375722 530682268 /nfs/dbraw/zinc/68/22/68/530682268.db2.gz JTAPEELDMRWUIY-UHFFFAOYSA-N 1 0 388.559 1.245 20 0 GDADRO CN1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000174353550 530647209 /nfs/dbraw/zinc/64/72/09/530647209.db2.gz LOACMMWQYCZGMW-MRXNPFEDSA-N 1 0 384.318 1.670 20 0 GDADRO O=S(=O)(N[C@H]1CC[NH2+]C1)c1ccc(Br)cc1Br ZINC000052093344 530682801 /nfs/dbraw/zinc/68/28/01/530682801.db2.gz SZKSLGZKPAZVBV-QMMMGPOBSA-N 1 0 384.093 1.852 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000046762682 530653209 /nfs/dbraw/zinc/65/32/09/530653209.db2.gz HNYLGDQIDPMWEI-HZPDHXFCSA-N 1 0 376.567 1.325 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000046752062 530653230 /nfs/dbraw/zinc/65/32/30/530653230.db2.gz WYQHLDTYBYKVKU-INIZCTEOSA-N 1 0 376.567 1.469 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000174776097 530653688 /nfs/dbraw/zinc/65/36/88/530653688.db2.gz SJZKKSYKXPJXSH-CQSZACIVSA-N 1 0 382.302 1.784 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000175082407 530658692 /nfs/dbraw/zinc/65/86/92/530658692.db2.gz HHNKCTXSOYJNTL-HUUCEWRRSA-N 1 0 388.555 1.858 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000175306514 530663409 /nfs/dbraw/zinc/66/34/09/530663409.db2.gz FFROZNZLIYXXJX-LBPRGKRZSA-N 1 0 386.290 1.962 20 0 GDADRO CC1(C)CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC[NH2+]1 ZINC000175415504 530664591 /nfs/dbraw/zinc/66/45/91/530664591.db2.gz GWLUQXMCYCNUKR-UHFFFAOYSA-N 1 0 393.285 1.760 20 0 GDADRO C[NH+]1CCC(NC(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000048339175 530667343 /nfs/dbraw/zinc/66/73/43/530667343.db2.gz JVQWVCYCXNNULG-UHFFFAOYSA-N 1 0 386.265 1.919 20 0 GDADRO CNS(=O)(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2cccs2)c(C)o1 ZINC000175804281 530670164 /nfs/dbraw/zinc/67/01/64/530670164.db2.gz PMKGLGUEVOJZFB-UHFFFAOYSA-N 1 0 385.511 1.762 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)C1 ZINC000052588783 530685872 /nfs/dbraw/zinc/68/58/72/530685872.db2.gz JKHWDUKQNRKNPD-AWEZNQCLSA-N 1 0 386.543 1.295 20 0 GDADRO CN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000176807055 530691495 /nfs/dbraw/zinc/69/14/95/530691495.db2.gz WCZQIVFOFYSBHE-UHFFFAOYSA-N 1 0 381.523 1.860 20 0 GDADRO CC(C)C[NH+]1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC000054041782 530698406 /nfs/dbraw/zinc/69/84/06/530698406.db2.gz XGICHESHUQFHHY-UHFFFAOYSA-N 1 0 386.290 1.914 20 0 GDADRO CCC[NH2+]CCNS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000054266649 530699822 /nfs/dbraw/zinc/69/98/22/530699822.db2.gz LSWGTGCVPCDNKI-UHFFFAOYSA-N 1 0 381.292 1.744 20 0 GDADRO C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)C[C@H](O)CN1CCOCC1 ZINC000177355068 530701955 /nfs/dbraw/zinc/70/19/55/530701955.db2.gz OVCJXQBHQWUPSQ-ZDUSSCGKSA-N 1 0 387.274 1.303 20 0 GDADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC000054805267 530702765 /nfs/dbraw/zinc/70/27/65/530702765.db2.gz WZBHNFSCBXLXLZ-LBPRGKRZSA-N 1 0 388.559 1.705 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000177533727 530704874 /nfs/dbraw/zinc/70/48/74/530704874.db2.gz HTBAJUCLCKADGJ-LBPRGKRZSA-N 1 0 384.274 1.949 20 0 GDADRO CSc1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000177566619 530705688 /nfs/dbraw/zinc/70/56/88/530705688.db2.gz GFXGVJFETFEHAK-GFCCVEGCSA-N 1 0 384.933 1.753 20 0 GDADRO C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000055538577 530709164 /nfs/dbraw/zinc/70/91/64/530709164.db2.gz GUNAKYSEZONRKE-LBPRGKRZSA-N 1 0 393.962 1.870 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc2ncc(Br)cn2n1 ZINC000177758755 530710180 /nfs/dbraw/zinc/71/01/80/530710180.db2.gz LUCZKZYNFNCREU-NEPJUHHUSA-N 1 0 379.262 1.586 20 0 GDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000055669537 530711801 /nfs/dbraw/zinc/71/18/01/530711801.db2.gz GJGRMBAAYBTURK-UHFFFAOYSA-N 1 0 385.917 1.758 20 0 GDADRO COCC[NH+]1CCC(NC(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000177983999 530714195 /nfs/dbraw/zinc/71/41/95/530714195.db2.gz YBXYWDMAXBUYCO-UHFFFAOYSA-N 1 0 387.278 1.380 20 0 GDADRO CCn1cc(Br)cc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000178161035 530717174 /nfs/dbraw/zinc/71/71/74/530717174.db2.gz WFQPKYMIEBBRIJ-AWEZNQCLSA-N 1 0 397.317 1.649 20 0 GDADRO CCN1CCc2nc(NC(=O)c3ccc(CNS(C)(=O)=O)o3)sc2C1 ZINC000176513110 530684676 /nfs/dbraw/zinc/68/46/76/530684676.db2.gz UQZOOQRNWHLEKL-UHFFFAOYSA-N 1 0 384.483 1.416 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000179203819 530737023 /nfs/dbraw/zinc/73/70/23/530737023.db2.gz CYJJAORICBAPGY-SNVBAGLBSA-N 1 0 382.258 1.631 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000179196789 530737133 /nfs/dbraw/zinc/73/71/33/530737133.db2.gz HKGALEBOHARHJT-LLVKDONJSA-N 1 0 377.304 1.809 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCC(C)(C)[NH+](C)C)ccc1Cl ZINC000061499160 530740765 /nfs/dbraw/zinc/74/07/65/530740765.db2.gz WTDBFXQVLBXHHC-UHFFFAOYSA-N 1 0 377.894 1.592 20 0 GDADRO CCNS(=O)(=O)[C@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000179454091 530741627 /nfs/dbraw/zinc/74/16/27/530741627.db2.gz KOQITLNYMIAILD-AWEZNQCLSA-N 1 0 384.889 1.946 20 0 GDADRO O=C(Nc1cncc(Br)c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000179477692 530741983 /nfs/dbraw/zinc/74/19/83/530741983.db2.gz NXADTKJQEJHGFC-UHFFFAOYSA-N 1 0 381.274 1.773 20 0 GDADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000179461572 530742174 /nfs/dbraw/zinc/74/21/74/530742174.db2.gz COOUDJZWSOQSLP-LSDHHAIUSA-N 1 0 376.906 1.231 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000062503924 530742868 /nfs/dbraw/zinc/74/28/68/530742868.db2.gz KLXCNKLSYKFWIR-LBPRGKRZSA-N 1 0 385.306 1.818 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000062504378 530743232 /nfs/dbraw/zinc/74/32/32/530743232.db2.gz FXGSEGZVNATXPN-LBPRGKRZSA-N 1 0 376.910 1.258 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCC(=O)NC1 ZINC000056997033 530722089 /nfs/dbraw/zinc/72/20/89/530722089.db2.gz BIJQSDQYHVXDQL-CQSZACIVSA-N 1 0 382.302 1.866 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000178562373 530723476 /nfs/dbraw/zinc/72/34/76/530723476.db2.gz LDBUUWJRPYPUNO-IUODEOHRSA-N 1 0 380.286 1.861 20 0 GDADRO CCN(CCCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)S(C)(=O)=O ZINC000057148468 530723872 /nfs/dbraw/zinc/72/38/72/530723872.db2.gz FOCVRXLPPDHQHJ-INIZCTEOSA-N 1 0 376.567 1.469 20 0 GDADRO CCN(CCCNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)S(C)(=O)=O ZINC000057148509 530724175 /nfs/dbraw/zinc/72/41/75/530724175.db2.gz KMBFIYYKJHTHFN-IYBDPMFKSA-N 1 0 376.567 1.325 20 0 GDADRO Cn1cc(C[NH2+]C(C)(C)COc2ncccc2Br)c(=O)n(C)c1=O ZINC000178826427 530729093 /nfs/dbraw/zinc/72/90/93/530729093.db2.gz QHTSYJZUOWQWOE-UHFFFAOYSA-N 1 0 397.273 1.189 20 0 GDADRO COc1nc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncc1Br ZINC000178956016 530732318 /nfs/dbraw/zinc/73/23/18/530732318.db2.gz QWLLCGMEXYHVLP-PBWFPOADSA-N 1 0 396.333 1.995 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000178987241 530732557 /nfs/dbraw/zinc/73/25/57/530732557.db2.gz DQAJNQJCOAOOAE-ZDUSSCGKSA-N 1 0 385.917 1.806 20 0 GDADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)CSc3nncs3)cc21 ZINC000058739953 530733604 /nfs/dbraw/zinc/73/36/04/530733604.db2.gz JHMBDOKRWKYANH-UHFFFAOYSA-N 1 0 379.467 1.738 20 0 GDADRO O=C(C[NH2+]C1(CO)CCCC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000179067471 530735195 /nfs/dbraw/zinc/73/51/95/530735195.db2.gz FNXVFRWKILGVJW-AWEZNQCLSA-N 1 0 386.539 1.159 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCCC(=O)NC(N)=O ZINC000064431304 530750254 /nfs/dbraw/zinc/75/02/54/530750254.db2.gz BOEUBGONRCLKBO-UHFFFAOYSA-N 1 0 385.262 1.603 20 0 GDADRO CCC[C@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)CC[N@@H+]1CCOC ZINC000179612844 530745949 /nfs/dbraw/zinc/74/59/49/530745949.db2.gz SOEUOMLGCPLYLM-ZDUSSCGKSA-N 1 0 386.290 1.710 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccnc2Br)CCOCC1 ZINC000179705745 530748008 /nfs/dbraw/zinc/74/80/08/530748008.db2.gz CPRCNIXVAFKFLA-UHFFFAOYSA-N 1 0 385.262 1.010 20 0 GDADRO O=C(c1cnn2cc(Br)cnc12)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179745328 530749459 /nfs/dbraw/zinc/74/94/59/530749459.db2.gz NQBIFAADOREMRN-GFCCVEGCSA-N 1 0 394.273 1.286 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000067997293 530782253 /nfs/dbraw/zinc/78/22/53/530782253.db2.gz LZNGNLPIILTOTN-NWDGAFQWSA-N 1 0 387.552 1.896 20 0 GDADRO C[C@H](CNC(=O)Cn1cnc2ccc(Br)cc2c1=O)[N@H+](C)C1CC1 ZINC000068216227 530785020 /nfs/dbraw/zinc/78/50/20/530785020.db2.gz QSWMBJCBMCSGNJ-LLVKDONJSA-N 1 0 393.285 1.758 20 0 GDADRO CC[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1cccc(Cl)c1 ZINC000182604137 530802266 /nfs/dbraw/zinc/80/22/66/530802266.db2.gz RRKDRVMRWFJINN-OAHLLOKOSA-N 1 0 375.922 1.778 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cnc1Br ZINC000182685529 530802582 /nfs/dbraw/zinc/80/25/82/530802582.db2.gz QSGRQBAIEBHGDF-NSHDSACASA-N 1 0 381.274 1.692 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182686217 530802853 /nfs/dbraw/zinc/80/28/53/530802853.db2.gz VONGYYONUILJBH-UHFFFAOYSA-N 1 0 387.278 1.176 20 0 GDADRO O=C(NCCC[NH2+][C@H]1CCCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000182733612 530804069 /nfs/dbraw/zinc/80/40/69/530804069.db2.gz ZTLYLJMSJBQQLX-AWEZNQCLSA-N 1 0 389.315 1.736 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182785786 530804531 /nfs/dbraw/zinc/80/45/31/530804531.db2.gz TWNDRHNLNCIYPH-UHFFFAOYSA-N 1 0 380.432 1.967 20 0 GDADRO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000182791508 530804764 /nfs/dbraw/zinc/80/47/64/530804764.db2.gz WFQNGCGJPMGMOZ-LBPRGKRZSA-N 1 0 379.404 1.882 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000076966078 530806589 /nfs/dbraw/zinc/80/65/89/530806589.db2.gz YQXHYKCYHMIYSR-ZDUSSCGKSA-N 1 0 375.922 1.807 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000182887151 530806700 /nfs/dbraw/zinc/80/67/00/530806700.db2.gz IJBAGMYVWVOXCQ-LBPRGKRZSA-N 1 0 381.420 1.985 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000181937800 530792496 /nfs/dbraw/zinc/79/24/96/530792496.db2.gz HEVJLFLKXAPYBO-UHFFFAOYSA-N 1 0 382.258 1.455 20 0 GDADRO CC[N@H+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000068960581 530793213 /nfs/dbraw/zinc/79/32/13/530793213.db2.gz CVTUOLSCKWDRMU-UHFFFAOYSA-N 1 0 389.543 1.091 20 0 GDADRO Cc1cc(Br)c(O)c(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000182909149 530806928 /nfs/dbraw/zinc/80/69/28/530806928.db2.gz GBSNJUPPYRAOIN-NSHDSACASA-N 1 0 384.274 1.812 20 0 GDADRO O=C1CNC(=O)N1CCC[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000103142692 530832913 /nfs/dbraw/zinc/83/29/13/530832913.db2.gz JWZZFUBLXJHCJK-UHFFFAOYSA-N 1 0 388.237 1.324 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000103452080 530834954 /nfs/dbraw/zinc/83/49/54/530834954.db2.gz VTQLYUWNUSJSMU-UHFFFAOYSA-N 1 0 380.539 1.789 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000183153245 530810144 /nfs/dbraw/zinc/81/01/44/530810144.db2.gz UFBVXVMMDMDZBC-NSHDSACASA-N 1 0 376.320 1.793 20 0 GDADRO CC[N@H+](C)CCNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000092299225 530812524 /nfs/dbraw/zinc/81/25/24/530812524.db2.gz GNSSPEJGYVFSCW-UHFFFAOYSA-N 1 0 375.560 1.683 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000183286697 530812690 /nfs/dbraw/zinc/81/26/90/530812690.db2.gz JXCGDTCEBLOSON-HNNXBMFYSA-N 1 0 388.555 1.394 20 0 GDADRO COc1sc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1Br ZINC000093583259 530813960 /nfs/dbraw/zinc/81/39/60/530813960.db2.gz BCRILOIXRUWRJB-LLVKDONJSA-N 1 0 379.320 1.644 20 0 GDADRO COC[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000183434361 530814733 /nfs/dbraw/zinc/81/47/33/530814733.db2.gz WRBMRXQLOXMYBY-HOCLYGCPSA-N 1 0 386.539 1.278 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000093963088 530815327 /nfs/dbraw/zinc/81/53/27/530815327.db2.gz GDUYDRVGONPEJC-UHFFFAOYSA-N 1 0 395.305 1.249 20 0 GDADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)CCNC(=O)c3ccc(Br)cc3)C[C@H]21 ZINC000185088481 530836432 /nfs/dbraw/zinc/83/64/32/530836432.db2.gz HSWDNKDAELGCJK-CFVMTHIKSA-N 1 0 380.286 1.765 20 0 GDADRO COCCN(C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000096980980 530818979 /nfs/dbraw/zinc/81/89/79/530818979.db2.gz ZAJDPGDVYXWOOK-CJNGLKHVSA-N 1 0 388.917 1.653 20 0 GDADRO C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000097160277 530819583 /nfs/dbraw/zinc/81/95/83/530819583.db2.gz AARZHCJDTQHGDV-CYBMUJFWSA-N 1 0 380.286 1.966 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Cl)C[NH+]1CCN(C)CC1 ZINC000097577781 530821429 /nfs/dbraw/zinc/82/14/29/530821429.db2.gz IWRJDJKPOBQMEO-LBPRGKRZSA-N 1 0 387.311 1.932 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000183946581 530822319 /nfs/dbraw/zinc/82/23/19/530822319.db2.gz JOQJOTYYAQHILU-ZDUSSCGKSA-N 1 0 388.295 1.777 20 0 GDADRO C[N@@H+]1CCCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000098077799 530823114 /nfs/dbraw/zinc/82/31/14/530823114.db2.gz IVONIMTVGBPBRV-UHFFFAOYSA-N 1 0 394.269 1.599 20 0 GDADRO C[NH+]1CCC(CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000101522769 530824526 /nfs/dbraw/zinc/82/45/26/530824526.db2.gz YMNDRPOFXULDSQ-UHFFFAOYSA-N 1 0 394.269 1.503 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)C2)CC1 ZINC000106894078 530850859 /nfs/dbraw/zinc/85/08/59/530850859.db2.gz WOLFTHXVDLEDRY-LBPRGKRZSA-N 1 0 377.432 1.504 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3c(F)cc(F)cc3F)C2)CC1 ZINC000106894073 530850863 /nfs/dbraw/zinc/85/08/63/530850863.db2.gz WCSLBODJPDCIBR-ZDUSSCGKSA-N 1 0 377.432 1.504 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2ccc(Br)cc2)C1 ZINC000106900541 530851654 /nfs/dbraw/zinc/85/16/54/530851654.db2.gz MQGRSVQTCPLVFY-CQSZACIVSA-N 1 0 397.317 1.836 20 0 GDADRO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000186128535 530851937 /nfs/dbraw/zinc/85/19/37/530851937.db2.gz DUPWCPCWKNJADC-ZWNOBZJWSA-N 1 0 381.420 1.362 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000186775296 530862565 /nfs/dbraw/zinc/86/25/65/530862565.db2.gz BLJGDJFPWYZXRE-UHFFFAOYSA-N 1 0 382.258 1.946 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000186804741 530863102 /nfs/dbraw/zinc/86/31/02/530863102.db2.gz HRDHVMABQASTBI-ZFWWWQNUSA-N 1 0 385.555 1.579 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)[C@H](C)C1 ZINC000186972240 530865493 /nfs/dbraw/zinc/86/54/93/530865493.db2.gz GNZWHFRTBDVWIX-CHWSQXEVSA-N 1 0 398.301 1.092 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1ccccc1OC(F)F)NC[C@H]1CCCCO1 ZINC000111405360 530875171 /nfs/dbraw/zinc/87/51/71/530875171.db2.gz YXBWITOMRHEWEH-CQSZACIVSA-N 1 0 378.441 1.866 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000187269823 530869844 /nfs/dbraw/zinc/86/98/44/530869844.db2.gz FLAOFZAXILZFNG-AWEZNQCLSA-N 1 0 399.333 1.641 20 0 GDADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000187335801 530871590 /nfs/dbraw/zinc/87/15/90/530871590.db2.gz AINGXDFCICGVSO-GFCCVEGCSA-N 1 0 394.946 1.505 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ncc(Br)cc1F ZINC000187395224 530871907 /nfs/dbraw/zinc/87/19/07/530871907.db2.gz NVFNURIXXUYCIZ-UWVGGRQHSA-N 1 0 380.283 1.915 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)COc3ccc(I)cc3)C[C@@H]12 ZINC000185203428 530837658 /nfs/dbraw/zinc/83/76/58/530837658.db2.gz KYKKLMHRBNXCEM-ZLKJLUDKSA-N 1 0 386.233 1.866 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000105019475 530841740 /nfs/dbraw/zinc/84/17/40/530841740.db2.gz JIIGSSNEPSHWIC-UHFFFAOYSA-N 1 0 380.297 1.388 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000185596475 530844050 /nfs/dbraw/zinc/84/40/50/530844050.db2.gz QSDFFBBMVHWQBD-UHFFFAOYSA-N 1 0 392.681 1.471 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1Br ZINC000188681201 530898544 /nfs/dbraw/zinc/89/85/44/530898544.db2.gz AQCQACXGTHDDCB-JTQLQIEISA-N 1 0 386.290 1.775 20 0 GDADRO C[C@@H](CNC(=O)c1cc(I)c[nH]1)C[NH+]1CCN(C)CC1 ZINC000115383966 530899646 /nfs/dbraw/zinc/89/96/46/530899646.db2.gz BIPHAFIVNBMTLV-NSHDSACASA-N 1 0 390.269 1.233 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000115436980 530899830 /nfs/dbraw/zinc/89/98/30/530899830.db2.gz OBCRDZGQQAUWIP-GJZGRUSLSA-N 1 0 385.555 1.701 20 0 GDADRO CC[NH+](CC)CCNC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000188768125 530901349 /nfs/dbraw/zinc/90/13/49/530901349.db2.gz RXTVZLIQTZPRMU-UHFFFAOYSA-N 1 0 380.440 1.730 20 0 GDADRO COc1ccc(Br)c(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c1 ZINC000115757464 530901382 /nfs/dbraw/zinc/90/13/82/530901382.db2.gz DHQLPJVIVIVRED-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000115882479 530902106 /nfs/dbraw/zinc/90/21/06/530902106.db2.gz MJPCIAINTPFTCY-UHFFFAOYSA-N 1 0 398.301 1.693 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1=O ZINC000116273452 530904200 /nfs/dbraw/zinc/90/42/00/530904200.db2.gz LHADSNULCLGVOE-CYBMUJFWSA-N 1 0 381.274 1.725 20 0 GDADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000116336845 530904269 /nfs/dbraw/zinc/90/42/69/530904269.db2.gz CJYFMMIKPJWWPM-UHFFFAOYSA-N 1 0 388.555 1.632 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1Br ZINC000188141867 530886657 /nfs/dbraw/zinc/88/66/57/530886657.db2.gz XYFKXXQMYKCQAP-INIZCTEOSA-N 1 0 386.290 1.433 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000188230925 530889663 /nfs/dbraw/zinc/88/96/63/530889663.db2.gz DERGLTCKBATKDX-ZIAGYGMSSA-N 1 0 387.571 1.825 20 0 GDADRO NC(=O)CSCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114559085 530896197 /nfs/dbraw/zinc/89/61/97/530896197.db2.gz QJEGOYROFVUDHJ-ZDUSSCGKSA-N 1 0 375.416 1.614 20 0 GDADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Br)c[nH]1 ZINC000119748086 530930338 /nfs/dbraw/zinc/93/03/38/530930338.db2.gz MRMBUSBUMJYRNO-OAHLLOKOSA-N 1 0 378.270 1.926 20 0 GDADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000119851304 530932278 /nfs/dbraw/zinc/93/22/78/530932278.db2.gz JWLRUMRRWDSSCF-GFCCVEGCSA-N 1 0 382.233 1.999 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000118095542 530915825 /nfs/dbraw/zinc/91/58/25/530915825.db2.gz FLMXJCRJVNXYMN-UHFFFAOYSA-N 1 0 389.237 1.688 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000118124702 530916994 /nfs/dbraw/zinc/91/69/94/530916994.db2.gz NHMZJSRVAYDSAW-CQSZACIVSA-N 1 0 384.274 1.615 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000118898121 530919314 /nfs/dbraw/zinc/91/93/14/530919314.db2.gz OYFDCBFYBOIGEC-LBPRGKRZSA-N 1 0 398.301 1.992 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000118897588 530919394 /nfs/dbraw/zinc/91/93/94/530919394.db2.gz QPBIMQBXXYNJDK-LBPRGKRZSA-N 1 0 387.311 1.932 20 0 GDADRO Cc1cc(Cl)c(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000119245371 530924241 /nfs/dbraw/zinc/92/42/41/530924241.db2.gz SZCHHMFXCPKOKV-LBPRGKRZSA-N 1 0 387.311 1.992 20 0 GDADRO Cc1sc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1CS(C)(=O)=O ZINC000119530454 530927771 /nfs/dbraw/zinc/92/77/71/530927771.db2.gz LLTSJXCPQSSEOR-STQMWFEESA-N 1 0 388.555 1.830 20 0 GDADRO C[C@H](CNC(=O)CCn1cc(Br)ccc1=O)C[NH+]1CCN(C)CC1 ZINC000121805197 530962143 /nfs/dbraw/zinc/96/21/43/530962143.db2.gz FLKYYAYQKKKVLB-CQSZACIVSA-N 1 0 399.333 1.001 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2ncc(Br)cc2F)C1 ZINC000190665583 530935247 /nfs/dbraw/zinc/93/52/47/530935247.db2.gz XLDNWDKUUSKZPT-SECBINFHSA-N 1 0 380.283 1.915 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000122013241 530964827 /nfs/dbraw/zinc/96/48/27/530964827.db2.gz CTYPMTRZYTTZEH-UHFFFAOYSA-N 1 0 381.523 1.561 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc2nnc(SC[C@H]3CC[N@H+](C)C3)n2c1 ZINC000191051225 530942559 /nfs/dbraw/zinc/94/25/59/530942559.db2.gz RAAGGTAVRMMUJZ-ZDUSSCGKSA-N 1 0 383.543 1.804 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000120871509 530946028 /nfs/dbraw/zinc/94/60/28/530946028.db2.gz XSBSTBDVPIFZGX-CQSZACIVSA-N 1 0 381.274 1.398 20 0 GDADRO C[C@@H](CN1CCCN(c2nnc(C(F)(F)F)s2)CC1)CS(C)(=O)=O ZINC000191306777 530946855 /nfs/dbraw/zinc/94/68/55/530946855.db2.gz OUTLLNNLPNVGLL-JTQLQIEISA-N 1 0 386.465 1.750 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(I)cc1 ZINC000121066737 530949669 /nfs/dbraw/zinc/94/96/69/530949669.db2.gz MIELQCGGUUTFAK-UHFFFAOYSA-N 1 0 389.237 1.640 20 0 GDADRO CCC[NH+]1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000121125264 530950791 /nfs/dbraw/zinc/95/07/91/530950791.db2.gz OIFAHJHRELABGT-UHFFFAOYSA-N 1 0 396.285 1.729 20 0 GDADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000121201730 530952326 /nfs/dbraw/zinc/95/23/26/530952326.db2.gz RNJSYPSGYJWDGU-HOTGVXAUSA-N 1 0 390.933 1.874 20 0 GDADRO O=C1O[C@H](C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)CC12CCC2 ZINC000191884974 530956605 /nfs/dbraw/zinc/95/66/05/530956605.db2.gz UQOYBPGAZLTJHN-AWEZNQCLSA-N 1 0 384.523 1.977 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000191902104 530956656 /nfs/dbraw/zinc/95/66/56/530956656.db2.gz XRVAKROJGQLKGR-JKSUJKDBSA-N 1 0 397.313 1.990 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000121493268 530957190 /nfs/dbraw/zinc/95/71/90/530957190.db2.gz WPCOFPMMQKBQGZ-UHFFFAOYSA-N 1 0 393.303 1.840 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cc(Br)c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000192937435 530976758 /nfs/dbraw/zinc/97/67/58/530976758.db2.gz TZALBFRTQXRPIL-LBPRGKRZSA-N 1 0 392.319 1.358 20 0 GDADRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000193037350 530978242 /nfs/dbraw/zinc/97/82/42/530978242.db2.gz NDFDAGMYGXNTTH-NHYWBVRUSA-N 1 0 378.491 1.415 20 0 GDADRO CC1(NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000193374987 530985455 /nfs/dbraw/zinc/98/54/55/530985455.db2.gz WHMUEQGWVGPJBJ-UHFFFAOYSA-N 1 0 394.324 1.920 20 0 GDADRO COc1ccc(Br)cc1CC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000193145075 530980358 /nfs/dbraw/zinc/98/03/58/530980358.db2.gz WJJVYHLWHRZFQN-CHWSQXEVSA-N 1 0 385.302 1.914 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[NH2+]CC2)cc1Br ZINC000193232558 530981981 /nfs/dbraw/zinc/98/19/81/530981981.db2.gz QYSCYAGWRYFVDJ-UHFFFAOYSA-N 1 0 376.276 1.392 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)ccc1Br ZINC000193362298 530984879 /nfs/dbraw/zinc/98/48/79/530984879.db2.gz XNDGLMLVAUYLBA-LBPRGKRZSA-N 1 0 379.258 1.564 20 0 GDADRO C[C@H](CNC(=O)COc1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000122101956 530966361 /nfs/dbraw/zinc/96/63/61/530966361.db2.gz WYIHONKPJHTMNJ-CQSZACIVSA-N 1 0 384.318 1.828 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000122097612 530966479 /nfs/dbraw/zinc/96/64/79/530966479.db2.gz GRRQIUCWCFNKEL-ZIAGYGMSSA-N 1 0 388.559 1.446 20 0 GDADRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)c(-c2ccncc2)n1 ZINC000122176183 530967311 /nfs/dbraw/zinc/96/73/11/530967311.db2.gz NEWODERUHIPBOY-UHFFFAOYSA-N 1 0 377.495 1.612 20 0 GDADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000193638661 530991103 /nfs/dbraw/zinc/99/11/03/530991103.db2.gz QKLSUVFVSSDFJG-ZANVPECISA-N 1 0 387.221 1.344 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)s1 ZINC000124474363 530996058 /nfs/dbraw/zinc/99/60/58/530996058.db2.gz QTOOBROFNLWCIX-UHFFFAOYSA-N 1 0 387.571 1.922 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000125375881 531005323 /nfs/dbraw/zinc/00/53/23/531005323.db2.gz OKXWEWXAJFBQKJ-ZDUSSCGKSA-N 1 0 376.544 1.735 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCCC[NH+]1CCCCC1 ZINC000194838728 531010398 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C[NH+](C)C[C@@H](O)CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411131411 531304491 /nfs/dbraw/zinc/30/44/91/531304491.db2.gz JMLBRXKJKCTGQX-RYUDHWBXSA-N 1 0 381.782 1.098 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCC[C@@H](F)C2)cc[nH+]1 ZINC000349535748 531304809 /nfs/dbraw/zinc/30/48/09/531304809.db2.gz KFFCIVCWUKPGBL-KGLIPLIRSA-N 1 0 393.506 1.144 20 0 GDADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000266168140 531319568 /nfs/dbraw/zinc/31/95/68/531319568.db2.gz IQKTWZRXXVARQV-SNVBAGLBSA-N 1 0 393.303 1.839 20 0 GDADRO CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc3c2CN(C)C3)c1 ZINC000291884255 531320219 /nfs/dbraw/zinc/32/02/19/531320219.db2.gz NKHDCACSSZQRAR-UHFFFAOYSA-N 1 0 381.479 1.341 20 0 GDADRO Cc1c(Br)cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(=O)n1C ZINC000277801336 531313204 /nfs/dbraw/zinc/31/32/04/531313204.db2.gz ULYGCSUXQJJNIJ-GFCCVEGCSA-N 1 0 386.290 1.033 20 0 GDADRO CC(C)C[C@H](CNS(=O)(=O)CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1 ZINC000266122428 531313924 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GDADRO COC(=O)c1cc(Br)cc(C(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000292149631 531338428 /nfs/dbraw/zinc/33/84/28/531338428.db2.gz DPASKFVZJRQSKS-UHFFFAOYSA-N 1 0 398.301 1.603 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(I)cn1 ZINC000278064373 531330876 /nfs/dbraw/zinc/33/08/76/531330876.db2.gz KPKYRJYDWUPJBG-VIFPVBQESA-N 1 0 390.225 1.081 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000266255471 531332266 /nfs/dbraw/zinc/33/22/66/531332266.db2.gz CQYAHNBNHXNHIF-CQSZACIVSA-N 1 0 389.543 1.042 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000440437620 531339055 /nfs/dbraw/zinc/33/90/55/531339055.db2.gz XHSGWASMTFPBJY-GXFFZTMASA-N 1 0 379.404 1.337 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000440339894 531333309 /nfs/dbraw/zinc/33/33/09/531333309.db2.gz NCZCLLZLVFRAAK-UHFFFAOYSA-N 1 0 380.297 1.187 20 0 GDADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)C1 ZINC000440357011 531334457 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CO[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C)[C@@H](C[NH3+])C1 ZINC000440860649 531349154 /nfs/dbraw/zinc/34/91/54/531349154.db2.gz OZDQVGKUYNECRJ-VXGBXAGGSA-N 1 0 377.304 1.884 20 0 GDADRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000440854863 531349234 /nfs/dbraw/zinc/34/92/34/531349234.db2.gz DSKVJASMPDDGIO-WCQYABFASA-N 1 0 382.404 1.755 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528051905 531341049 /nfs/dbraw/zinc/34/10/49/531341049.db2.gz OBJPWMPGUCGXFV-CQSZACIVSA-N 1 0 392.930 1.448 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1CCO[C@@H](C[NH3+])C1 ZINC000478269859 531341286 /nfs/dbraw/zinc/34/12/86/531341286.db2.gz ZJBAMIZMQNNRED-GWCFXTLKSA-N 1 0 389.237 1.278 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000440759458 531343645 /nfs/dbraw/zinc/34/36/45/531343645.db2.gz XPAVSYMNVIMJKU-LLVKDONJSA-N 1 0 395.319 1.880 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1Br ZINC000440747237 531343665 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20 0 GDADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)Nc1ccc(Br)cc1F ZINC000411998779 531354724 /nfs/dbraw/zinc/35/47/24/531354724.db2.gz WQUZFJCNWZAAEF-IINYFYTJSA-N 1 0 375.238 1.904 20 0 GDADRO O=C(NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1ccc(Br)cc1 ZINC000278400817 531357998 /nfs/dbraw/zinc/35/79/98/531357998.db2.gz FWAIHEBJEIFBRU-HNNXBMFYSA-N 1 0 380.286 1.922 20 0 GDADRO OC[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[C@@H]1O ZINC000412109056 531358902 /nfs/dbraw/zinc/35/89/02/531358902.db2.gz SXZPBIJPVSPDRY-ZBINZKHDSA-N 1 0 378.238 1.003 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000266546536 531352888 /nfs/dbraw/zinc/35/28/88/531352888.db2.gz FQCJBOQDBHQBQW-AWEZNQCLSA-N 1 0 396.285 1.175 20 0 GDADRO CC(C)C[C@@H](CNC(=O)c1c(I)cnn1C)[NH+](C)C ZINC000292408848 531353001 /nfs/dbraw/zinc/35/30/01/531353001.db2.gz YVSOCSLBLPDCMV-JTQLQIEISA-N 1 0 378.258 1.731 20 0 GDADRO COc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)nc1I ZINC000292408955 531353107 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C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cccc(I)c1 ZINC000447246127 531422259 /nfs/dbraw/zinc/42/22/59/531422259.db2.gz OLBDJOSGXOICQL-ZJUUUORDSA-N 1 0 380.251 1.649 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N[C@@H](C)CC[NH3+] ZINC000447253046 531423180 /nfs/dbraw/zinc/42/31/80/531423180.db2.gz VSPODVQFFULBRJ-AWEZNQCLSA-N 1 0 389.543 1.185 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000447253779 531424062 /nfs/dbraw/zinc/42/40/62/531424062.db2.gz BRZPYFBHIMXNHI-NWDGAFQWSA-N 1 0 393.506 1.334 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)COc1ccccc1Br ZINC000484790276 531424588 /nfs/dbraw/zinc/42/45/88/531424588.db2.gz LGVWFZJLDIDGGH-YALNPMBYSA-N 1 0 399.329 1.936 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000414102570 531431291 /nfs/dbraw/zinc/43/12/91/531431291.db2.gz MXXRSUGGFNRNMU-MRVWCRGKSA-N 1 0 386.290 1.225 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000414102569 531431359 /nfs/dbraw/zinc/43/13/59/531431359.db2.gz MXXRSUGGFNRNMU-KWCYVHTRSA-N 1 0 386.290 1.225 20 0 GDADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000414076602 531429954 /nfs/dbraw/zinc/42/99/54/531429954.db2.gz PAOJETDYRVDGLR-AAEUAGOBSA-N 1 0 392.319 1.013 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NC[C@@H](C)C[NH+](C)C)ccc1Cl ZINC000293686715 531437245 /nfs/dbraw/zinc/43/72/45/531437245.db2.gz HOXZPNORSFZPPF-LLVKDONJSA-N 1 0 377.894 1.449 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(F)c(I)c1 ZINC000414176549 531434052 /nfs/dbraw/zinc/43/40/52/531434052.db2.gz IICXTDQGCMSFQI-GXSJLCMTSA-N 1 0 390.200 1.734 20 0 GDADRO CCOCCOc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000534172418 531434611 /nfs/dbraw/zinc/43/46/11/531434611.db2.gz YTOPTJOXJGPWIV-IAGOWNOFSA-N 1 0 388.555 1.768 20 0 GDADRO COCCN(CCOC)S(=O)(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000360570942 531441159 /nfs/dbraw/zinc/44/11/59/531441159.db2.gz BGCPGVCTFKDORE-UHFFFAOYSA-N 1 0 377.551 1.070 20 0 GDADRO OC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000447924616 531441603 /nfs/dbraw/zinc/44/16/03/531441603.db2.gz WVYFCLXKPFBHCV-OSAQELSMSA-N 1 0 394.693 1.972 20 0 GDADRO C[C@@H]1CCCN(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414293367 531437858 /nfs/dbraw/zinc/43/78/58/531437858.db2.gz VUWBMCKBKVTGRQ-GFCCVEGCSA-N 1 0 390.347 1.918 20 0 GDADRO NS(=O)(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000414318879 531439075 /nfs/dbraw/zinc/43/90/75/531439075.db2.gz YHILEICDNRDZGV-QWHCGFSZSA-N 1 0 388.331 1.813 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(F)c(F)cc1F ZINC000360454331 531440120 /nfs/dbraw/zinc/44/01/20/531440120.db2.gz IMGYKSHCBOLGMW-WKPIXPDZSA-N 1 0 378.416 1.976 20 0 GDADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)Nc1ccccc1I ZINC000447912741 531440384 /nfs/dbraw/zinc/44/03/84/531440384.db2.gz HIDMOICVCXDAMX-CHWSQXEVSA-N 1 0 390.221 1.359 20 0 GDADRO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000361188978 531445950 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C[N@@H+]1CCC[C@@H]1CNC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000363062743 531470045 /nfs/dbraw/zinc/47/00/45/531470045.db2.gz NTWVQFJJWHISAZ-CYBMUJFWSA-N 1 0 396.285 1.775 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000415294187 531472992 /nfs/dbraw/zinc/47/29/92/531472992.db2.gz FJZIKLXDZUYUEK-SECBINFHSA-N 1 0 378.230 1.151 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415350894 531477842 /nfs/dbraw/zinc/47/78/42/531477842.db2.gz GSZIYOUZSRHLFF-SSDOTTSWSA-N 1 0 378.629 1.987 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415368100 531479773 /nfs/dbraw/zinc/47/97/73/531479773.db2.gz MILONDATJPCODQ-UHFFFAOYSA-N 1 0 395.628 1.609 20 0 GDADRO COC(=O)c1c(C)c(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)ccc1Br ZINC000415366509 531479816 /nfs/dbraw/zinc/47/98/16/531479816.db2.gz WDFXIQOEHONEIG-SNVBAGLBSA-N 1 0 398.257 1.290 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2I)C1 ZINC000415366903 531479820 /nfs/dbraw/zinc/47/98/20/531479820.db2.gz 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531481296 /nfs/dbraw/zinc/48/12/96/531481296.db2.gz CRPPPMNMKHQSFC-VIFPVBQESA-N 1 0 388.251 1.834 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1Br ZINC000415387802 531481798 /nfs/dbraw/zinc/48/17/98/531481798.db2.gz YIFTZUHKWUUING-VIFPVBQESA-N 1 0 384.230 1.042 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000415390522 531482369 /nfs/dbraw/zinc/48/23/69/531482369.db2.gz GMOKNDZWJIBXKF-SNVBAGLBSA-N 1 0 384.249 1.545 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000415397299 531482399 /nfs/dbraw/zinc/48/23/99/531482399.db2.gz IYNPEXBLOZDACI-UHFFFAOYSA-N 1 0 384.274 1.854 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000415394261 531482462 /nfs/dbraw/zinc/48/24/62/531482462.db2.gz MADXEDHGZQRJHR-MRVPVSSYSA-N 1 0 376.201 1.734 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000488169716 531482724 /nfs/dbraw/zinc/48/27/24/531482724.db2.gz NXXNSQVSXHQISD-ZDUSSCGKSA-N 1 0 391.921 1.798 20 0 GDADRO 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COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)ccc1Br ZINC000415540884 531492605 /nfs/dbraw/zinc/49/26/05/531492605.db2.gz PVUZSXZKNBMCFI-GFCCVEGCSA-N 1 0 384.230 1.028 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(I)cc1C ZINC000415542395 531492716 /nfs/dbraw/zinc/49/27/16/531492716.db2.gz ANQPISPYLIAIDM-UHFFFAOYSA-N 1 0 375.210 1.216 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415544379 531492818 /nfs/dbraw/zinc/49/28/18/531492818.db2.gz TXBITZDSRNFECC-YUMQZZPRSA-N 1 0 376.201 1.862 20 0 GDADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415541476 531492940 /nfs/dbraw/zinc/49/29/40/531492940.db2.gz NVFKZDOJNMDQIX-NXEZZACHSA-N 1 0 384.249 1.673 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)n(-c2cccc(Br)c2)n1 ZINC000415358057 531478305 /nfs/dbraw/zinc/47/83/05/531478305.db2.gz SWZPVWYQCZXFHV-LBPRGKRZSA-N 1 0 392.257 1.441 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(Br)c2F)CC[NH2+]1 ZINC000415664506 531510787 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C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000415698978 531515321 /nfs/dbraw/zinc/51/53/21/531515321.db2.gz ZQLJOBUTBZTVPW-CQSZACIVSA-N 1 0 387.221 1.427 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)c1OC ZINC000581824084 531516716 /nfs/dbraw/zinc/51/67/16/531516716.db2.gz WEOIXOZDARSGSW-UHFFFAOYSA-N 1 0 375.878 1.210 20 0 GDADRO COCC1(CNC(=O)C(=O)Nc2cccc(Br)c2)CC[NH2+]CC1 ZINC000415710428 531517402 /nfs/dbraw/zinc/51/74/02/531517402.db2.gz RAEXUOXRPQSDAJ-UHFFFAOYSA-N 1 0 384.274 1.520 20 0 GDADRO COCC[NH2+]CCNC(=O)Nc1cc(C)cc(I)c1 ZINC000415716715 531518246 /nfs/dbraw/zinc/51/82/46/531518246.db2.gz XAGHDTLTEKVBAK-UHFFFAOYSA-N 1 0 377.226 1.957 20 0 GDADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415713700 531518486 /nfs/dbraw/zinc/51/84/86/531518486.db2.gz SQZRHROHDGZSKO-CYBMUJFWSA-N 1 0 382.917 1.507 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415556586 531494395 /nfs/dbraw/zinc/49/43/95/531494395.db2.gz 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COc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)c(OC)cc1Br ZINC000416496495 531647286 /nfs/dbraw/zinc/64/72/86/531647286.db2.gz PTIHCNZOPBLMKQ-SNVBAGLBSA-N 1 0 393.303 1.696 20 0 GDADRO O=C(Nc1nnc(C(F)(F)F)s1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000365414986 531647639 /nfs/dbraw/zinc/64/76/39/531647639.db2.gz NJBGVCIBHVHDSW-SNVBAGLBSA-N 1 0 379.408 2.133 20 0 GDADRO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000637812669 531635182 /nfs/dbraw/zinc/63/51/82/531635182.db2.gz BKLFNPZCQONGQU-RHSMWYFYSA-N 1 0 380.286 1.275 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC[C@H]1[NH3+] ZINC000269283260 531635984 /nfs/dbraw/zinc/63/59/84/531635984.db2.gz REYNOAWMNCGXEX-TYNCELHUSA-N 1 0 380.286 1.998 20 0 GDADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000498709313 531638228 /nfs/dbraw/zinc/63/82/28/531638228.db2.gz IBUWWRHVYFJDPK-GFCCVEGCSA-N 1 0 375.441 1.186 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000269307354 531640324 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GDADRO C[NH2+]C(C)(C)CNC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000281694337 531648389 /nfs/dbraw/zinc/64/83/89/531648389.db2.gz OSLHLLXZSZGAEG-UHFFFAOYSA-N 1 0 386.294 1.800 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000617020688 531649318 /nfs/dbraw/zinc/64/93/18/531649318.db2.gz HPLVTUNQMHOHPK-CQSZACIVSA-N 1 0 387.933 1.997 20 0 GDADRO CN(C)S(=O)(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000416502379 531652359 /nfs/dbraw/zinc/65/23/59/531652359.db2.gz LOCQLUVPVNFVFU-UHFFFAOYSA-N 1 0 386.949 1.733 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000638409723 531652991 /nfs/dbraw/zinc/65/29/91/531652991.db2.gz QSPIQMOTIYWDOX-MRXNPFEDSA-N 1 0 391.603 1.034 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000638485575 531653388 /nfs/dbraw/zinc/65/33/88/531653388.db2.gz XDFMZXWGVQPFGT-OAHLLOKOSA-N 1 0 375.441 1.090 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000499979335 531653745 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O=S(=O)(NC[C@@H]1CCCCN1CCO)c1cccc(OC(F)(F)F)c1 ZINC000451665456 531659469 /nfs/dbraw/zinc/65/94/69/531659469.db2.gz QHAMXAYNVKBBON-LBPRGKRZSA-N 1 0 382.404 1.710 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000638617209 531660129 /nfs/dbraw/zinc/66/01/29/531660129.db2.gz XPNFPPVVHQYJJE-BBRMVZONSA-N 1 0 388.295 1.471 20 0 GDADRO CC(C)(CCS(=O)(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)S(C)(=O)=O ZINC000416522587 531660460 /nfs/dbraw/zinc/66/04/60/531660460.db2.gz JFZQVXWIQJGAAN-MRXNPFEDSA-N 1 0 394.603 1.916 20 0 GDADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000661895766 531660567 /nfs/dbraw/zinc/66/05/67/531660567.db2.gz CHGMERRGYRMHNY-CQSZACIVSA-N 1 0 388.559 1.446 20 0 GDADRO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCC(=O)NCc3ccccc3Cl)C[C@H]21 ZINC000661882722 531660966 /nfs/dbraw/zinc/66/09/66/531660966.db2.gz YQUDELOKKVOGMX-IMJJTQAJSA-N 1 0 386.901 1.090 20 0 GDADRO [NH3+]CC1(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CCOCC1 ZINC000638634712 531662058 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1.790 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](N)c2ccccc2Br)C1 ZINC000662351033 531674625 /nfs/dbraw/zinc/67/46/25/531674625.db2.gz HTUNZBUZXABYSY-CZUORRHYSA-N 1 0 384.318 1.922 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914677 531674901 /nfs/dbraw/zinc/67/49/01/531674901.db2.gz HEPSJYBGFGACEV-IUCAKERBSA-N 1 0 397.806 1.210 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2F)C1 ZINC000662405200 531675157 /nfs/dbraw/zinc/67/51/57/531675157.db2.gz LUKRBWOHPGZWME-LBPRGKRZSA-N 1 0 386.265 1.444 20 0 GDADRO COCCCOCC[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638931642 531676694 /nfs/dbraw/zinc/67/66/94/531676694.db2.gz NGZKCEQYRXIRDD-UHFFFAOYSA-N 1 0 395.319 1.581 20 0 GDADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000662412258 531677367 /nfs/dbraw/zinc/67/73/67/531677367.db2.gz LCRUZWAPIPEFLJ-UHFFFAOYSA-N 1 0 384.274 1.198 20 0 GDADRO [NH3+][C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000662438897 531678209 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CN(Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@@H](O)C(F)(F)F ZINC000639175805 531685537 /nfs/dbraw/zinc/68/55/37/531685537.db2.gz UAKAKNRLKGBXGP-SNVBAGLBSA-N 1 0 391.209 1.452 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)ccc1Cl ZINC000281976665 531687101 /nfs/dbraw/zinc/68/71/01/531687101.db2.gz OHORYBVXHWTWAR-LBPRGKRZSA-N 1 0 389.905 1.723 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000662552296 531687941 /nfs/dbraw/zinc/68/79/41/531687941.db2.gz RRJJOVRNTHIOLJ-LLVKDONJSA-N 1 0 381.274 1.374 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000503230718 531688793 /nfs/dbraw/zinc/68/87/93/531688793.db2.gz JFPRFOFRWHKGDC-MRXNPFEDSA-N 1 0 391.603 1.382 20 0 GDADRO CC[C@H]1CN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC[C@H]1[NH3+] ZINC000662563825 531689398 /nfs/dbraw/zinc/68/93/98/531689398.db2.gz WUYCCYYIYQWVNR-GXFFZTMASA-N 1 0 379.262 1.624 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000662929881 531700622 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COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000269729730 531727134 /nfs/dbraw/zinc/72/71/34/531727134.db2.gz IWPLUJHECJQOTJ-LBPRGKRZSA-N 1 0 389.905 1.041 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC[NH2+]CC1 ZINC000561933877 531728566 /nfs/dbraw/zinc/72/85/66/531728566.db2.gz AZGHIMKSLLUUJU-CQSZACIVSA-N 1 0 389.518 1.048 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000296830177 531729216 /nfs/dbraw/zinc/72/92/16/531729216.db2.gz ZUHQLTDMLXPYDT-GFCCVEGCSA-N 1 0 375.300 1.917 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)NCC2C[NH2+]C2)C1 ZINC000640255233 531730902 /nfs/dbraw/zinc/73/09/02/531730902.db2.gz HMRSGZCAVYBAIM-LBPRGKRZSA-N 1 0 396.289 1.424 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451917473 531714167 /nfs/dbraw/zinc/71/41/67/531714167.db2.gz WUJYLNCSDMROMG-HNNXBMFYSA-N 1 0 399.340 1.746 20 0 GDADRO COC[C@]1(CO)CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000451930926 531719225 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CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@H]2C[NH3+])s1 ZINC000416908603 531744899 /nfs/dbraw/zinc/74/48/99/531744899.db2.gz DQRCETTWSBKWSG-ZDUSSCGKSA-N 1 0 388.559 1.801 20 0 GDADRO O=C(Cn1cc(Br)cn1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507684675 531745442 /nfs/dbraw/zinc/74/54/42/531745442.db2.gz SBIQBLCPAHTGDC-UHFFFAOYSA-N 1 0 399.333 1.997 20 0 GDADRO C[C@]1(CNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CCC[NH2+]C1 ZINC000416948894 531747196 /nfs/dbraw/zinc/74/71/96/531747196.db2.gz KOQHCDVKLZIVJJ-INIZCTEOSA-N 1 0 388.921 1.307 20 0 GDADRO C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000416940601 531747952 /nfs/dbraw/zinc/74/79/52/531747952.db2.gz AQLHDSCQIWWRQW-QWHCGFSZSA-N 1 0 388.921 1.306 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000282402616 531749567 /nfs/dbraw/zinc/74/95/67/531749567.db2.gz ZDCPJTBJQZJJBD-UHFFFAOYSA-N 1 0 396.738 1.628 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NC[C@H](Cc1ccccc1Cl)C(N)=O ZINC000562053955 531733703 /nfs/dbraw/zinc/73/37/03/531733703.db2.gz HWRKPDXVWUZPDQ-AWEZNQCLSA-N 1 0 375.922 1.245 20 0 GDADRO CCN(C(=O)C[NH2+][C@H](C)[C@@H]1OCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000366532554 531755886 /nfs/dbraw/zinc/75/58/86/531755886.db2.gz CTCRYYCXVLZCRS-XNJGSVPQSA-N 1 0 386.539 1.376 20 0 GDADRO CCCN(C(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000417204935 531756634 /nfs/dbraw/zinc/75/66/34/531756634.db2.gz GTDUTAGLOHVXAW-HNNXBMFYSA-N 1 0 397.317 1.962 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NCCNC(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000417202397 531757369 /nfs/dbraw/zinc/75/73/69/531757369.db2.gz BEEDBXWLCORIEM-BXUZGUMPSA-N 1 0 383.290 1.619 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(c3ccc(I)cn3)C2)CC1 ZINC000297106202 531757827 /nfs/dbraw/zinc/75/78/27/531757827.db2.gz LMBWEZZITINRNK-AWEZNQCLSA-N 1 0 386.281 1.902 20 0 GDADRO C[C@H]1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000417211005 531758885 /nfs/dbraw/zinc/75/88/85/531758885.db2.gz RGCDGYLNHMOPFP-WFASDCNBSA-N 1 0 397.317 1.948 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417221106 531760187 /nfs/dbraw/zinc/76/01/87/531760187.db2.gz NGHRJNGWCWBZOI-AWEZNQCLSA-N 1 0 385.281 1.777 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC1CC[NH2+]CC1 ZINC000297127543 531760884 /nfs/dbraw/zinc/76/08/84/531760884.db2.gz HEFAXPCDNATMHU-INIZCTEOSA-N 1 0 385.555 1.202 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCc1ccc(Br)cc1)C2 ZINC000621841586 531760999 /nfs/dbraw/zinc/76/09/99/531760999.db2.gz XEJPDSQWDBCXLL-CXAGYDPISA-N 1 0 380.286 1.448 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cn3cc(Br)ccc3n2)CCCO1 ZINC000417226738 531762063 /nfs/dbraw/zinc/76/20/63/531762063.db2.gz UTWQBPGVCKLHIX-CYBMUJFWSA-N 1 0 382.262 1.356 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)c[nH]c2=O)ccc1=O ZINC000621932232 531761978 /nfs/dbraw/zinc/76/19/78/531761978.db2.gz YHQPEJAKTKKQHN-UHFFFAOYSA-N 1 0 381.230 1.525 20 0 GDADRO C[C@H]1CN(S(=O)(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)[C@@H](C)CO1 ZINC000452097685 531762050 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C[C@H](NC(=O)Cn1cc(COCC[NH3+])nn1)c1ccc(Br)cc1 ZINC000640847687 531766361 /nfs/dbraw/zinc/76/63/61/531766361.db2.gz NMVCVPJHKWCSCI-NSHDSACASA-N 1 0 382.262 1.393 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000592364056 531781690 /nfs/dbraw/zinc/78/16/90/531781690.db2.gz QGABTWTZDYNZBH-LBPRGKRZSA-N 1 0 384.479 1.830 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NCC[NH2+]C2CC2)c1 ZINC000592366726 531782331 /nfs/dbraw/zinc/78/23/31/531782331.db2.gz BHPXCPDGYJQDHR-UHFFFAOYSA-N 1 0 377.260 1.266 20 0 GDADRO CCOC(=O)c1sc2ncc(S(=O)(=O)N3CCC[NH2+]CC3)cc2c1C ZINC000592365689 531782588 /nfs/dbraw/zinc/78/25/88/531782588.db2.gz QWHNZOPJPZDSGK-UHFFFAOYSA-N 1 0 383.495 1.765 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c(Cl)c1 ZINC000366819684 531782836 /nfs/dbraw/zinc/78/28/36/531782836.db2.gz NRTGCHGIBQXTIL-NSHDSACASA-N 1 0 380.857 1.391 20 0 GDADRO COC(=O)c1cccc(Br)c1CN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000592167216 531769452 /nfs/dbraw/zinc/76/94/52/531769452.db2.gz 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COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000592192658 531772361 /nfs/dbraw/zinc/77/23/61/531772361.db2.gz CXUCTQRDCBCEHP-VXGBXAGGSA-N 1 0 385.258 1.634 20 0 GDADRO O=C(c1n[nH]c2ccc(I)cc21)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592242927 531773367 /nfs/dbraw/zinc/77/33/67/531773367.db2.gz BGISIAYCQCTZKM-TVQRCGJNSA-N 1 0 396.232 1.992 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccccc1I ZINC000452347560 531773482 /nfs/dbraw/zinc/77/34/82/531773482.db2.gz IVBZZXQDKAMNOX-GFCCVEGCSA-N 1 0 388.249 1.868 20 0 GDADRO CC(=O)NCCN(Cc1ccsc1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000282613451 531775724 /nfs/dbraw/zinc/77/57/24/531775724.db2.gz CCYPZBGKCBKBJI-QGZVFWFLSA-N 1 0 384.571 1.833 20 0 GDADRO O=C(NCC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000297289478 531778279 /nfs/dbraw/zinc/77/82/79/531778279.db2.gz UTVXGPYPJVGXBW-CYBMUJFWSA-N 1 0 380.286 1.918 20 0 GDADRO COc1ncc(Br)cc1Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641127464 531779540 /nfs/dbraw/zinc/77/95/40/531779540.db2.gz 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GDADRO Cc1ccc(Br)cc1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000418049600 531799520 /nfs/dbraw/zinc/79/95/20/531799520.db2.gz NMHUXNFTBFNYAH-MRXNPFEDSA-N 1 0 381.318 1.947 20 0 GDADRO C[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)Oc1ccc(Br)cc1 ZINC000269913407 531802781 /nfs/dbraw/zinc/80/27/81/531802781.db2.gz PQBAMMWWWQNIPF-WBMJQRKESA-N 1 0 388.306 1.828 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000418132403 531803018 /nfs/dbraw/zinc/80/30/18/531803018.db2.gz YNRDGLBCEXYQGL-YESZJQIVSA-N 1 0 393.329 1.994 20 0 GDADRO CCCCC[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C)CCC ZINC000514002483 531803013 /nfs/dbraw/zinc/80/30/13/531803013.db2.gz XNMNFIMAFLUBQY-HUUCEWRRSA-N 1 0 375.535 1.680 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1c(Cl)nc2ccccn21 ZINC000282852114 531803116 /nfs/dbraw/zinc/80/31/16/531803116.db2.gz XIXDISJQIKBLDB-JTQLQIEISA-N 1 0 375.782 1.554 20 0 GDADRO NS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000668686233 531804190 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C[C@@H](NC(=O)NCCOc1ccc(I)cc1)[C@H](C)[NH3+] ZINC000418150262 531805427 /nfs/dbraw/zinc/80/54/27/531805427.db2.gz CRNPCHDPZFAUSI-VHSXEESVSA-N 1 0 377.226 1.705 20 0 GDADRO C[C@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(Br)cn1 ZINC000418140560 531805561 /nfs/dbraw/zinc/80/55/61/531805561.db2.gz XETZBNCGJBUVSH-RYUDHWBXSA-N 1 0 398.305 1.402 20 0 GDADRO CC(C)([NH3+])c1noc(Cn2cc(F)cc(I)c2=O)n1 ZINC000563081394 531805890 /nfs/dbraw/zinc/80/58/90/531805890.db2.gz XRLMEVCZEGFUSI-UHFFFAOYSA-N 1 0 378.145 1.217 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCCN(C=O)CC1 ZINC000297632741 531806900 /nfs/dbraw/zinc/80/69/00/531806900.db2.gz MDOQGOBACFYQQW-AWEZNQCLSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NCC[C@@H]1CC[NH2+]C1 ZINC000418152374 531807109 /nfs/dbraw/zinc/80/71/09/531807109.db2.gz GZNYVFFXXNPSMO-NSHDSACASA-N 1 0 392.884 1.056 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(I)ccc1F ZINC000269937102 531808545 /nfs/dbraw/zinc/80/85/45/531808545.db2.gz SOOSMDIZAIIQLD-CYBMUJFWSA-N 1 0 380.201 1.473 20 0 GDADRO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000563116951 531808689 /nfs/dbraw/zinc/80/86/89/531808689.db2.gz QJCSONAVEVOQPL-CQSZACIVSA-N 1 0 375.441 1.037 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000418165180 531809770 /nfs/dbraw/zinc/80/97/70/531809770.db2.gz XZPVZEFXKVGHDI-LLVKDONJSA-N 1 0 392.884 1.056 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418165956 531809949 /nfs/dbraw/zinc/80/99/49/531809949.db2.gz JXWLNZMESMNCAB-JTQLQIEISA-N 1 0 397.328 1.698 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cccc(F)c1I ZINC000563132998 531810116 /nfs/dbraw/zinc/81/01/16/531810116.db2.gz YJYIALWUZAJLOZ-HTQZYQBOSA-N 1 0 393.200 1.611 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000418164379 531810902 /nfs/dbraw/zinc/81/09/02/531810902.db2.gz IHGSDMYKJCDELD-ONGXEEELSA-N 1 0 395.312 1.403 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418166760 531811454 /nfs/dbraw/zinc/81/14/54/531811454.db2.gz LRHFVVNJWYTCIF-ZDUSSCGKSA-N 1 0 388.559 1.575 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000297689191 531813346 /nfs/dbraw/zinc/81/33/46/531813346.db2.gz BWFOPORENNTUBV-UHFFFAOYSA-N 1 0 386.949 1.456 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000418185347 531813589 /nfs/dbraw/zinc/81/35/89/531813589.db2.gz OVKWTIRXCJVBOD-QWHCGFSZSA-N 1 0 388.921 1.305 20 0 GDADRO CC1(NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000563164882 531814102 /nfs/dbraw/zinc/81/41/02/531814102.db2.gz RGUJKECNUDIBIB-UHFFFAOYSA-N 1 0 379.404 1.242 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000563156715 531814628 /nfs/dbraw/zinc/81/46/28/531814628.db2.gz ONQARBWJMZSGIH-UHFFFAOYSA-N 1 0 385.917 1.609 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418190315 531814919 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GDADRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418837779 531850658 /nfs/dbraw/zinc/85/06/58/531850658.db2.gz XAGKRIXNZPRKKG-DRZSPHRISA-N 1 0 398.276 1.676 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000624613241 531851646 /nfs/dbraw/zinc/85/16/46/531851646.db2.gz OUUFFMKSTRNAGL-CQSZACIVSA-N 1 0 388.559 1.366 20 0 GDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418846868 531853027 /nfs/dbraw/zinc/85/30/27/531853027.db2.gz SWXTVVGQSKTOSJ-STQMWFEESA-N 1 0 382.302 1.612 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)NCCc1cccs1 ZINC000298111721 531853462 /nfs/dbraw/zinc/85/34/62/531853462.db2.gz ZJVSBNNTVAFONL-QWHCGFSZSA-N 1 0 381.523 1.794 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418851999 531854121 /nfs/dbraw/zinc/85/41/21/531854121.db2.gz UAZFEVTZAWQBGT-PWSUYJOCSA-N 1 0 386.265 1.443 20 0 GDADRO COc1ccc(C[C@H](CO)CNC(=O)NC/C=C\C[NH3+])cc1Br ZINC000641862442 531854379 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COc1cc(Br)c(F)cc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624387406 531841623 /nfs/dbraw/zinc/84/16/23/531841623.db2.gz OIYRJIDCMFFTIF-UHFFFAOYSA-N 1 0 397.266 1.383 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000624396373 531842310 /nfs/dbraw/zinc/84/23/10/531842310.db2.gz NRDRJBLRZQKHIJ-UHFFFAOYSA-N 1 0 381.857 1.294 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418805555 531842323 /nfs/dbraw/zinc/84/23/23/531842323.db2.gz BHUOSOUVFMEPRO-BETUJISGSA-N 1 0 384.249 1.557 20 0 GDADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418803155 531842361 /nfs/dbraw/zinc/84/23/61/531842361.db2.gz DVPJNRWYPVAUII-GWOFURMSSA-N 1 0 386.315 1.726 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000624397483 531842398 /nfs/dbraw/zinc/84/23/98/531842398.db2.gz ALFXKLKXGIYHNI-UHFFFAOYSA-N 1 0 399.282 1.453 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCCOc3ccc(Cl)cc3Cl)CCN2C1=O ZINC000563439323 531843808 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COc1ccc(CCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1Br ZINC000563441219 531845591 /nfs/dbraw/zinc/84/55/91/531845591.db2.gz LHMVPHZQFFLKES-JSGCOSHPSA-N 1 0 396.285 1.161 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000563478856 531845654 /nfs/dbraw/zinc/84/56/54/531845654.db2.gz XABGLRRPCKPZKK-UHFFFAOYSA-N 1 0 394.273 1.689 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000418818711 531845959 /nfs/dbraw/zinc/84/59/59/531845959.db2.gz CGWCGDVPJWOYJW-SRVKXCTJSA-N 1 0 384.249 1.510 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)C1 ZINC000418816865 531846327 /nfs/dbraw/zinc/84/63/27/531846327.db2.gz ZAYSQRHMAKRHOO-GWOFURMSSA-N 1 0 386.315 1.678 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)Oc1ccc(Br)cc1 ZINC000283258848 531846593 /nfs/dbraw/zinc/84/65/93/531846593.db2.gz ANWJSGNYTCVRIO-LBPRGKRZSA-N 1 0 398.301 1.543 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418828949 531847657 /nfs/dbraw/zinc/84/76/57/531847657.db2.gz IMDQEZFWUGGOSO-LQKXBSAESA-N 1 0 392.297 1.489 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1cc(F)c(Cl)cc1Cl ZINC000418828289 531847751 /nfs/dbraw/zinc/84/77/51/531847751.db2.gz CVNCWIHLYWPIGJ-NXEZZACHSA-N 1 0 392.258 1.804 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N[C@H](C)C[NH2+]C)cc(Br)c1C ZINC000595118949 531866571 /nfs/dbraw/zinc/86/65/71/531866571.db2.gz KCXQXBJFRYNJDQ-SECBINFHSA-N 1 0 393.303 1.820 20 0 GDADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1I ZINC000595119084 531866715 /nfs/dbraw/zinc/86/67/15/531866715.db2.gz LNUZWTIRQRKDOU-SSDOTTSWSA-N 1 0 388.658 1.831 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000595120545 531867101 /nfs/dbraw/zinc/86/71/01/531867101.db2.gz HPRMEUCAHAMZRW-CYBMUJFWSA-N 1 0 393.303 1.887 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000563960079 531867361 /nfs/dbraw/zinc/86/73/61/531867361.db2.gz PCGPETDCXIWCRG-NSHDSACASA-N 1 0 394.324 1.859 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Cc3csc(-c4ccc(Cl)s4)n3)CCN2C1=O ZINC000563976197 531867538 /nfs/dbraw/zinc/86/75/38/531867538.db2.gz SYWUTTZHHZGNBX-WDEREUQCSA-N 1 0 396.925 1.838 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000418940919 531867578 /nfs/dbraw/zinc/86/75/78/531867578.db2.gz JWHZFZWGDZQWSE-JVLSTEMRSA-N 1 0 380.286 1.748 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418940003 531867603 /nfs/dbraw/zinc/86/76/03/531867603.db2.gz RXEZLKKCMSRAES-OAHLLOKOSA-N 1 0 394.313 1.855 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CC[NH2+]CC1)Sc1ccc(Br)cc1 ZINC000418939850 531867849 /nfs/dbraw/zinc/86/78/49/531867849.db2.gz RYNUZWZHYMGROR-LLVKDONJSA-N 1 0 386.315 1.478 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000270420828 531868572 /nfs/dbraw/zinc/86/85/72/531868572.db2.gz KZOCREAMDKLVJI-ZDUSSCGKSA-N 1 0 394.273 1.480 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418853299 531855758 /nfs/dbraw/zinc/85/57/58/531855758.db2.gz JDGLAIDSDKCIIG-IJEWVQPXSA-N 1 0 394.313 1.878 20 0 GDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418858412 531855995 /nfs/dbraw/zinc/85/59/95/531855995.db2.gz VVTUVMWHUNTGNJ-KRWDZBQOSA-N 1 0 382.302 1.880 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(Br)nc3)C2)CC1 ZINC000270286169 531856079 /nfs/dbraw/zinc/85/60/79/531856079.db2.gz XUNSKSZYWPYOIH-ZDUSSCGKSA-N 1 0 395.301 1.973 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cn1 ZINC000418866514 531857545 /nfs/dbraw/zinc/85/75/45/531857545.db2.gz NDYFEEZTUNIZNI-RTXFEEFZSA-N 1 0 381.274 1.374 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CCC1 ZINC000418886472 531860716 /nfs/dbraw/zinc/86/07/16/531860716.db2.gz QSSPZQYEJXGHST-NSHDSACASA-N 1 0 386.221 1.136 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CCO1 ZINC000642711649 531861363 /nfs/dbraw/zinc/86/13/63/531861363.db2.gz ZZILZIYPODWANK-HFAKWTLXSA-N 1 0 388.295 1.615 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1Br ZINC000367785512 531863322 /nfs/dbraw/zinc/86/33/22/531863322.db2.gz WWKYLDUFTNVEFA-IUCAKERBSA-N 1 0 397.266 1.445 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000642777583 531863511 /nfs/dbraw/zinc/86/35/11/531863511.db2.gz LXRUZHFMZQGIGP-OCCSQVGLSA-N 1 0 398.301 1.591 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418922049 531863920 /nfs/dbraw/zinc/86/39/20/531863920.db2.gz DGABHDRCSKUSNM-TYNCELHUSA-N 1 0 398.276 1.709 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418945347 531869213 /nfs/dbraw/zinc/86/92/13/531869213.db2.gz JZUKILZJHCJMNI-ZDUSSCGKSA-N 1 0 386.290 1.434 20 0 GDADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000367798891 531865031 /nfs/dbraw/zinc/86/50/31/531865031.db2.gz SCRBSHVALQNDSY-WCQYABFASA-N 1 0 387.299 1.757 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1)C1CC1 ZINC000418931479 531865411 /nfs/dbraw/zinc/86/54/11/531865411.db2.gz GAPNDQIFJWDHER-HNNXBMFYSA-N 1 0 394.313 1.841 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000418948955 531870674 /nfs/dbraw/zinc/87/06/74/531870674.db2.gz UJMCGMYSACJNOP-IINYFYTJSA-N 1 0 388.295 1.881 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595243908 531871083 /nfs/dbraw/zinc/87/10/83/531871083.db2.gz ZFQYMQGZTOAFJY-GHMZBOCLSA-N 1 0 392.214 1.616 20 0 GDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000564966415 531871105 /nfs/dbraw/zinc/87/11/05/531871105.db2.gz JWMICHZRROTILN-INIZCTEOSA-N 1 0 375.535 1.347 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(I)cc1C ZINC000595243694 531871242 /nfs/dbraw/zinc/87/12/42/531871242.db2.gz GONOBXAANLVGMR-SECBINFHSA-N 1 0 375.210 1.262 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000367846323 531871651 /nfs/dbraw/zinc/87/16/51/531871651.db2.gz LTEJZTKXTJNNPL-JSGCOSHPSA-N 1 0 389.543 1.623 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595240994 531871814 /nfs/dbraw/zinc/87/18/14/531871814.db2.gz ZKCMCUCWEZGXAJ-UHFFFAOYSA-N 1 0 389.237 1.734 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(I)ccc1C ZINC000595245529 531871831 /nfs/dbraw/zinc/87/18/31/531871831.db2.gz UOOJTKMPYBNLGD-VIFPVBQESA-N 1 0 375.210 1.262 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)CC[C@H]1[NH3+] ZINC000418975675 531873308 /nfs/dbraw/zinc/87/33/08/531873308.db2.gz REUFVSFHHKEOJP-GXSJLCMTSA-N 1 0 394.273 1.137 20 0 GDADRO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000367901495 531875436 /nfs/dbraw/zinc/87/54/36/531875436.db2.gz WNKATOSAMBPGQU-MRXNPFEDSA-N 1 0 376.567 1.564 20 0 GDADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418981783 531875783 /nfs/dbraw/zinc/87/57/83/531875783.db2.gz AIQKSZFUCLMSGH-HNNXBMFYSA-N 1 0 382.302 1.708 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418978697 531876170 /nfs/dbraw/zinc/87/61/70/531876170.db2.gz WMJUMPVSAAHGJG-MRXNPFEDSA-N 1 0 394.273 1.139 20 0 GDADRO CC(C)OCC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000566064430 531877227 /nfs/dbraw/zinc/87/72/27/531877227.db2.gz WTAQEXMTBWXNBO-CYBMUJFWSA-N 1 0 382.885 1.523 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000419004528 531878644 /nfs/dbraw/zinc/87/86/44/531878644.db2.gz FKVRZKJXLXYYFY-YPMHNXCESA-N 1 0 398.301 1.845 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1Br ZINC000419006707 531879047 /nfs/dbraw/zinc/87/90/47/531879047.db2.gz IDTXWMJNVYMDBR-PWSUYJOCSA-N 1 0 384.274 1.585 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1Br ZINC000419003970 531879079 /nfs/dbraw/zinc/87/90/79/531879079.db2.gz DTYRYIDNUWRZES-CMPLNLGQSA-N 1 0 384.274 1.585 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419021547 531881837 /nfs/dbraw/zinc/88/18/37/531881837.db2.gz MMHJLPVKJZDTRK-IUODEOHRSA-N 1 0 398.301 1.073 20 0 GDADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000566249898 531882852 /nfs/dbraw/zinc/88/28/52/531882852.db2.gz SORKWRIZEODUQZ-GFCCVEGCSA-N 1 0 381.420 1.473 20 0 GDADRO Cn1nnc2cc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccsc3)ccc21 ZINC000645754609 531883192 /nfs/dbraw/zinc/88/31/92/531883192.db2.gz NFQCFNKFPJDBGT-UHFFFAOYSA-N 1 0 379.511 1.782 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)C1 ZINC000419035214 531884599 /nfs/dbraw/zinc/88/45/99/531884599.db2.gz FPOKPTSXNFVRAQ-LLVKDONJSA-N 1 0 386.265 1.792 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000418948825 531870104 /nfs/dbraw/zinc/87/01/04/531870104.db2.gz RAKWWROTCFMBKT-CMPLNLGQSA-N 1 0 386.265 1.790 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418949310 531870270 /nfs/dbraw/zinc/87/02/70/531870270.db2.gz NZAREPMXHFUAAC-IUODEOHRSA-N 1 0 398.301 1.578 20 0 GDADRO NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000368089835 531891155 /nfs/dbraw/zinc/89/11/55/531891155.db2.gz ODVDYJJJOIIBHD-CYBMUJFWSA-N 1 0 383.861 1.069 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000419046900 531891265 /nfs/dbraw/zinc/89/12/65/531891265.db2.gz WTWNGORZYPPVCA-NXEZZACHSA-N 1 0 378.420 1.797 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419048776 531891337 /nfs/dbraw/zinc/89/13/37/531891337.db2.gz APOMLMPLGNEYPI-AGIUHOORSA-N 1 0 382.302 1.705 20 0 GDADRO CC[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000647004404 531892050 /nfs/dbraw/zinc/89/20/50/531892050.db2.gz KQLIOADNIGGCKX-NHYWBVRUSA-N 1 0 375.441 1.219 20 0 GDADRO CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000647019298 531892630 /nfs/dbraw/zinc/89/26/30/531892630.db2.gz RZLCYAWNRSHSKJ-ZDUSSCGKSA-N 1 0 379.404 1.917 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419053396 531892936 /nfs/dbraw/zinc/89/29/36/531892936.db2.gz JUMLPSXTAWWKPP-CFVMTHIKSA-N 1 0 394.313 1.849 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419053942 531893518 /nfs/dbraw/zinc/89/35/18/531893518.db2.gz KCLRZACZRMPZBB-KGLIPLIRSA-N 1 0 398.301 1.073 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN1C[C@H]2CCCC[C@H]21 ZINC000368097341 531893562 /nfs/dbraw/zinc/89/35/62/531893562.db2.gz FJBGMEVBXJXMFS-HUUCEWRRSA-N 1 0 386.539 1.585 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)Cc2ccccc2Br)C1 ZINC000419053634 531893661 /nfs/dbraw/zinc/89/36/61/531893661.db2.gz KHYHXTABUOCILJ-UONOGXRCSA-N 1 0 396.329 1.954 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419055936 531893999 /nfs/dbraw/zinc/89/39/99/531893999.db2.gz PHSLPUSQPKUESI-GXTWGEPZSA-N 1 0 382.302 1.836 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000368138890 531895006 /nfs/dbraw/zinc/89/50/06/531895006.db2.gz GVFGKDWLFNMHLB-ZSHCYNCHSA-N 1 0 377.491 1.174 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595949237 531896050 /nfs/dbraw/zinc/89/60/50/531896050.db2.gz YTFIMVDGKUCPON-GNHJJJEISA-N 1 0 383.539 1.036 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000419063620 531896381 /nfs/dbraw/zinc/89/63/81/531896381.db2.gz GSUKUDRGKLZALI-ZANVPECISA-N 1 0 388.693 1.962 20 0 GDADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CNC(N)=O ZINC000567579214 531897374 /nfs/dbraw/zinc/89/73/74/531897374.db2.gz XTZJACUKFYLSJW-SNVBAGLBSA-N 1 0 384.278 1.196 20 0 GDADRO NS(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000270584204 531897875 /nfs/dbraw/zinc/89/78/75/531897875.db2.gz GLUGZJKBJJBLFS-CYBMUJFWSA-N 1 0 380.495 1.357 20 0 GDADRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000298513806 531897911 /nfs/dbraw/zinc/89/79/11/531897911.db2.gz XVRWOZZZEZPZIJ-UHFFFAOYSA-N 1 0 380.919 1.955 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(Br)c(F)c3)C[C@@H]21 ZINC000419034199 531884859 /nfs/dbraw/zinc/88/48/59/531884859.db2.gz DIBXQIUSCHMMQE-SLEUVZQESA-N 1 0 398.276 1.790 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419036427 531885639 /nfs/dbraw/zinc/88/56/39/531885639.db2.gz GVQJAQDWIPWIRN-YGRLFVJLSA-N 1 0 386.265 1.933 20 0 GDADRO CC[C@H](NC(=O)C(=O)NCCC[NH2+]C1CC1)c1nc(C(F)(F)F)cs1 ZINC000419039035 531886390 /nfs/dbraw/zinc/88/63/90/531886390.db2.gz GTOQZEPDLWAHPY-JTQLQIEISA-N 1 0 378.420 1.988 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1ccccc1Br ZINC000283716021 531886991 /nfs/dbraw/zinc/88/69/91/531886991.db2.gz FOKZHASUZXBQTF-ZDUSSCGKSA-N 1 0 382.302 1.866 20 0 GDADRO OCC1(O)CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000595738637 531887805 /nfs/dbraw/zinc/88/78/05/531887805.db2.gz XAHAFKVQCZADCI-UHFFFAOYSA-N 1 0 391.249 1.879 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419043117 531888858 /nfs/dbraw/zinc/88/88/58/531888858.db2.gz NCMWXDBMTQGGSH-BXKDBHETSA-N 1 0 375.803 1.672 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C[C@@H]1[NH+](C)C ZINC000270540966 531890046 /nfs/dbraw/zinc/89/00/46/531890046.db2.gz XMYFPZKLAWDNDE-HOTGVXAUSA-N 1 0 383.539 1.126 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419045068 531890257 /nfs/dbraw/zinc/89/02/57/531890257.db2.gz VOUUJWBIBYVCAF-SMDDNHRTSA-N 1 0 398.301 1.879 20 0 GDADRO CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000270542325 531890414 /nfs/dbraw/zinc/89/04/14/531890414.db2.gz YAFWDMTXCHECKZ-HZPDHXFCSA-N 1 0 385.555 1.031 20 0 GDADRO Cc1nn(C)c(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1Br ZINC000647983859 531906327 /nfs/dbraw/zinc/90/63/27/531906327.db2.gz AWQKWZGJCDSSSB-NSHDSACASA-N 1 0 387.326 1.496 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000647956139 531907300 /nfs/dbraw/zinc/90/73/00/531907300.db2.gz DXEAWTDJJDDVOV-OAHLLOKOSA-N 1 0 375.560 1.192 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1cc(F)ccc1Br ZINC000419163294 531907717 /nfs/dbraw/zinc/90/77/17/531907717.db2.gz WDKPREIJZROVMO-QMTHXVAHSA-N 1 0 386.265 1.933 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)c1Br ZINC000419166802 531908229 /nfs/dbraw/zinc/90/82/29/531908229.db2.gz PRNKGPOTNSVGDD-DGCLKSJQSA-N 1 0 398.301 1.603 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368372002 531908356 /nfs/dbraw/zinc/90/83/56/531908356.db2.gz YSHGRPKNOWFURW-IINYFYTJSA-N 1 0 392.253 1.256 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000568491709 531908410 /nfs/dbraw/zinc/90/84/10/531908410.db2.gz KVIXTJXMCUDOQP-VHSXEESVSA-N 1 0 378.420 1.927 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000568500449 531909669 /nfs/dbraw/zinc/90/96/69/531909669.db2.gz KNKKTMOAHNFZIN-HBNTYKKESA-N 1 0 394.269 1.629 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419188749 531909781 /nfs/dbraw/zinc/90/97/81/531909781.db2.gz OSOXIUIAWRQLJX-UKRRQHHQSA-N 1 0 397.317 1.244 20 0 GDADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)C(=O)N[C@H]1CCC[NH2+]C1 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390.303 1.148 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1C ZINC000652378072 531946435 /nfs/dbraw/zinc/94/64/35/531946435.db2.gz XXZCJWDJVGGYDB-DOMZBBRYSA-N 1 0 389.543 1.041 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1ccc(Br)o1 ZINC000570968254 531946453 /nfs/dbraw/zinc/94/64/53/531946453.db2.gz BWVNGGLJILERMW-ZWNOBZJWSA-N 1 0 384.274 1.599 20 0 GDADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)[C@@H]1CC[NH3+] ZINC000652378566 531946692 /nfs/dbraw/zinc/94/66/92/531946692.db2.gz RZTFSZQWIFKUSA-BXUZGUMPSA-N 1 0 393.506 1.335 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419636481 531946831 /nfs/dbraw/zinc/94/68/31/531946831.db2.gz RUHJNPSRIZFXHF-MFKMUULPSA-N 1 0 386.290 1.495 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000652381531 531948286 /nfs/dbraw/zinc/94/82/86/531948286.db2.gz VAWSOGNJOKJTTK-UHFFFAOYSA-N 1 0 386.470 1.557 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)C[C@H]1C[NH3+] ZINC000419652232 531948736 /nfs/dbraw/zinc/94/87/36/531948736.db2.gz VJUQXQASVUXWOC-NXEZZACHSA-N 1 0 378.420 1.264 20 0 GDADRO CN(C(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1)C1CC[NH2+]CC1 ZINC000419668821 531949530 /nfs/dbraw/zinc/94/95/30/531949530.db2.gz BEQMQEWDTNAXEE-UHFFFAOYSA-N 1 0 393.285 1.757 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C2CC[NH2+]CC2)c1OC ZINC000571083247 531949992 /nfs/dbraw/zinc/94/99/92/531949992.db2.gz KLRFUMVGZZIUIO-UHFFFAOYSA-N 1 0 376.862 1.508 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419671492 531951134 /nfs/dbraw/zinc/95/11/34/531951134.db2.gz GBYIHPVNHZXQOR-UHFFFAOYSA-N 1 0 384.274 1.068 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419669390 531951302 /nfs/dbraw/zinc/95/13/02/531951302.db2.gz BUNIIXYQORHUDB-CYBMUJFWSA-N 1 0 379.258 1.496 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1c(C)cc(Br)cc1OC ZINC000626869535 531939833 /nfs/dbraw/zinc/93/98/33/531939833.db2.gz 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387.318 1.889 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000419687773 531956387 /nfs/dbraw/zinc/95/63/87/531956387.db2.gz ZHYNRKHBTBMVTQ-VIFPVBQESA-N 1 0 388.237 1.603 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000271097638 531965142 /nfs/dbraw/zinc/96/51/42/531965142.db2.gz LZYLDWSFKBARKL-HUUCEWRRSA-N 1 0 391.946 1.965 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000419755753 531965443 /nfs/dbraw/zinc/96/54/43/531965443.db2.gz FBEJNDXIUMOWDN-RYUDHWBXSA-N 1 0 385.295 1.509 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419757880 531966392 /nfs/dbraw/zinc/96/63/92/531966392.db2.gz JFVGPBMCZUHWJG-NEPJUHHUSA-N 1 0 385.295 1.557 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000419763013 531966456 /nfs/dbraw/zinc/96/64/56/531966456.db2.gz SZAVIWVJYXMHMK-LBPRGKRZSA-N 1 0 385.295 1.638 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)c1cccc(Br)c1 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GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423457392 532075020 /nfs/dbraw/zinc/07/50/20/532075020.db2.gz OVOFGLIQYXGQCT-GXTWGEPZSA-N 1 0 382.302 1.912 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)C[C@H]1C[NH3+] ZINC000423488749 532075378 /nfs/dbraw/zinc/07/53/78/532075378.db2.gz VQPKIRPBYSNMEG-NXEZZACHSA-N 1 0 378.420 1.564 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423223758 532074324 /nfs/dbraw/zinc/07/43/24/532074324.db2.gz AMYFNFOPGWASBP-KRWDZBQOSA-N 1 0 398.276 1.759 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nn(C)cc1I ZINC000602332129 532074522 /nfs/dbraw/zinc/07/45/22/532074522.db2.gz JJJLKYFUWLNMED-WDEREUQCSA-N 1 0 388.253 1.724 20 0 GDADRO C[N@H+]1CC=C(CNC(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000272061637 532074564 /nfs/dbraw/zinc/07/45/64/532074564.db2.gz HYYLDQNUCKTADL-UHFFFAOYSA-N 1 0 395.301 1.740 20 0 GDADRO CCCNC(=O)c1ccc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)cc1Cl ZINC000602446726 532077648 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GDADRO [NH3+]CCCCn1cc(C(=O)NCCNc2cccc(Br)c2)nn1 ZINC000423844682 532080874 /nfs/dbraw/zinc/08/08/74/532080874.db2.gz JMIQVJSUPFABFC-UHFFFAOYSA-N 1 0 381.278 1.621 20 0 GDADRO CN(C(=O)c1cn(CCC[NH3+])nn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000423919424 532081284 /nfs/dbraw/zinc/08/12/84/532081284.db2.gz FBCJZKZEGXONTM-CQSZACIVSA-N 1 0 394.273 1.985 20 0 GDADRO Cc1sc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1CS(C)(=O)=O ZINC000470099653 532082349 /nfs/dbraw/zinc/08/23/49/532082349.db2.gz GLGGSINMICOQJZ-CYBMUJFWSA-N 1 0 388.555 1.832 20 0 GDADRO Ic1cnc(N2CC[NH+](CC[C@H]3CCOC3)CC2)nc1 ZINC000602732507 532083168 /nfs/dbraw/zinc/08/31/68/532083168.db2.gz JHRUIVYEGNZAGK-LBPRGKRZSA-N 1 0 388.253 1.630 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000272211225 532085459 /nfs/dbraw/zinc/08/54/59/532085459.db2.gz RKZQVDGAVWAULH-CYBMUJFWSA-N 1 0 387.571 1.642 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000272240106 532086667 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1.633 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000285596772 532098376 /nfs/dbraw/zinc/09/83/76/532098376.db2.gz SQNWREFXUQIAAS-BONVTDFDSA-N 1 0 398.276 1.803 20 0 GDADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000604764614 532098728 /nfs/dbraw/zinc/09/87/28/532098728.db2.gz XHLODZDTPPYFKR-GASCZTMLSA-N 1 0 388.555 1.772 20 0 GDADRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000285644358 532101929 /nfs/dbraw/zinc/10/19/29/532101929.db2.gz OPDLMGBEZHNTSA-HUUCEWRRSA-N 1 0 391.331 1.838 20 0 GDADRO COc1ncc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1Br ZINC000424641417 532103373 /nfs/dbraw/zinc/10/33/73/532103373.db2.gz KCLNJQREEKFBTD-NSHDSACASA-N 1 0 399.289 1.170 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000373939282 532103579 /nfs/dbraw/zinc/10/35/79/532103579.db2.gz RDQVWJPRWSONJT-ZIAGYGMSSA-N 1 0 383.539 1.889 20 0 GDADRO COc1ncc(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1Br ZINC000424665500 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GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCCN(CCO)CC2)cc1Cl ZINC000374407802 532120894 /nfs/dbraw/zinc/12/08/94/532120894.db2.gz XDXMPAINQHBFHR-UHFFFAOYSA-N 1 0 393.868 1.126 20 0 GDADRO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000272908205 532122286 /nfs/dbraw/zinc/12/22/86/532122286.db2.gz HDXZBXQBOGDJAQ-XIRDDKMYSA-N 1 0 384.567 1.427 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)ccc1Cl ZINC000272936517 532123829 /nfs/dbraw/zinc/12/38/29/532123829.db2.gz BJJMUDFYOZBIGZ-MRXNPFEDSA-N 1 0 389.905 1.641 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nc2ncc(Br)cn2n1 ZINC000285825343 532115920 /nfs/dbraw/zinc/11/59/20/532115920.db2.gz NYGQEMVZTJAJNI-CMPLNLGQSA-N 1 0 379.262 1.586 20 0 GDADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000286247859 532138553 /nfs/dbraw/zinc/13/85/53/532138553.db2.gz SAEKDBZQPYVREH-SWLSCSKDSA-N 1 0 387.527 1.545 20 0 GDADRO C[C@@](CO)([NH2+]CC(=O)NCc1cccnc1)c1ccc(Br)cc1 ZINC000286266077 532139701 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CNS(=O)(=O)c1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000273523828 532153645 /nfs/dbraw/zinc/15/36/45/532153645.db2.gz QBRTZEMPJRFNJZ-HOTGVXAUSA-N 1 0 383.539 1.247 20 0 GDADRO C[N@@H+]1CCCC12CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)s1)CC2 ZINC000375201353 532153892 /nfs/dbraw/zinc/15/38/92/532153892.db2.gz LPAQBHKGMYIZKP-UHFFFAOYSA-N 1 0 391.946 1.767 20 0 GDADRO CS[C@@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)C[C@H]1[NH+](C)C ZINC000331444943 532144276 /nfs/dbraw/zinc/14/42/76/532144276.db2.gz HUSRYPBDALBZGO-GHMZBOCLSA-N 1 0 384.303 1.609 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000273338696 532144428 /nfs/dbraw/zinc/14/44/28/532144428.db2.gz PVIKQSDYFNRPDV-CYBMUJFWSA-N 1 0 389.905 1.736 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000331499777 532146513 /nfs/dbraw/zinc/14/65/13/532146513.db2.gz SAQSUDOHCDZEAE-OAHLLOKOSA-N 1 0 387.933 1.951 20 0 GDADRO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000331553669 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ZINC000332409696 532184487 /nfs/dbraw/zinc/18/44/87/532184487.db2.gz JEUWFMYZFIRYNK-RDJZCZTQSA-N 1 0 386.539 1.672 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC[NH2+]1 ZINC000332238621 532173582 /nfs/dbraw/zinc/17/35/82/532173582.db2.gz HYDRSBKOYRHAKH-UHFFFAOYSA-N 1 0 384.249 1.688 20 0 GDADRO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332254629 532174824 /nfs/dbraw/zinc/17/48/24/532174824.db2.gz CMMQFKRUFOEGBD-DTWKUNHWSA-N 1 0 388.212 1.734 20 0 GDADRO CS[C@H]1CN(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)C[C@H]1[NH+](C)C ZINC000332270566 532176572 /nfs/dbraw/zinc/17/65/72/532176572.db2.gz VDTUYLPCZOZIOH-OLZOCXBDSA-N 1 0 380.539 1.579 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC[N@@H+]1C ZINC000332512997 532191975 /nfs/dbraw/zinc/19/19/75/532191975.db2.gz VPPVKUMFDOUPCK-DGCLKSJQSA-N 1 0 393.285 1.758 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332540020 532193821 /nfs/dbraw/zinc/19/38/21/532193821.db2.gz CKOSNHSCPDPDAN-WDEREUQCSA-N 1 0 384.249 1.903 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1F ZINC000376134068 532197231 /nfs/dbraw/zinc/19/72/31/532197231.db2.gz VMWBNWCLWKVUIM-SWLSCSKDSA-N 1 0 390.502 1.382 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375852042 532186391 /nfs/dbraw/zinc/18/63/91/532186391.db2.gz NDQUWYNMKRSGAZ-OAHLLOKOSA-N 1 0 380.432 1.936 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NC1CC[NH2+]CC1)CC2 ZINC000332493655 532189600 /nfs/dbraw/zinc/18/96/00/532189600.db2.gz PHBGJMHYBWJIHE-UHFFFAOYSA-N 1 0 380.286 1.510 20 0 GDADRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000287268089 532204881 /nfs/dbraw/zinc/20/48/81/532204881.db2.gz SFJOJYYBALZOPB-JTQLQIEISA-N 1 0 392.319 1.379 20 0 GDADRO CCC[N@H+](CCc1cccs1)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000274362017 532205495 /nfs/dbraw/zinc/20/54/95/532205495.db2.gz ZTNFGVRJWLLFIP-UHFFFAOYSA-N 1 0 375.560 1.400 20 0 GDADRO CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H](C)C[NH3+] ZINC000274413929 532208735 /nfs/dbraw/zinc/20/87/35/532208735.db2.gz JNLKWWXNJAHCOZ-MFKMUULPSA-N 1 0 392.319 1.215 20 0 GDADRO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000332814088 532211305 /nfs/dbraw/zinc/21/13/05/532211305.db2.gz SHCPPJPGUCHVPF-STQMWFEESA-N 1 0 379.448 1.483 20 0 GDADRO O=C1[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)CCN1C1CCOCC1 ZINC000376439516 532214566 /nfs/dbraw/zinc/21/45/66/532214566.db2.gz CGTAOUPKOXBKIO-HZPDHXFCSA-N 1 0 383.286 1.852 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000287424236 532215229 /nfs/dbraw/zinc/21/52/29/532215229.db2.gz BDTBZZAQXOYUDH-UHFFFAOYSA-N 1 0 394.273 1.789 20 0 GDADRO O=C1C[C@]2(CC[N@@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)CN1 ZINC000333017723 532215246 /nfs/dbraw/zinc/21/52/46/532215246.db2.gz HJWLZXHMHOQYJW-CZUORRHYSA-N 1 0 387.249 1.540 20 0 GDADRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000287457740 532216146 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398.330 2.426 20 0 GDADRO O=C(Cc1cccc(I)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377537020 532262784 /nfs/dbraw/zinc/26/27/84/532262784.db2.gz YPJHIXGFWYDSIG-OAHLLOKOSA-N 1 0 399.276 1.340 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000377549101 532264022 /nfs/dbraw/zinc/26/40/22/532264022.db2.gz JSFRKUUCRCOJNX-SWLSCSKDSA-N 1 0 398.301 1.672 20 0 GDADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377602889 532264971 /nfs/dbraw/zinc/26/49/71/532264971.db2.gz NOBBHLXBAZMUJB-JSGCOSHPSA-N 1 0 382.302 1.993 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000377682568 532269470 /nfs/dbraw/zinc/26/94/70/532269470.db2.gz YTQHCEYGZBOWDW-SJORKVTESA-N 1 0 389.949 1.631 20 0 GDADRO C[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)C(C)(C)n1cncn1 ZINC000377808336 532275057 /nfs/dbraw/zinc/27/50/57/532275057.db2.gz XQCWJYNCFIVMPZ-KBPBESRZSA-N 1 0 383.543 1.764 20 0 GDADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000431895754 532276099 /nfs/dbraw/zinc/27/60/99/532276099.db2.gz GSRNYDDAMQYXNW-ZBFHGGJFSA-N 1 0 380.576 1.384 20 0 GDADRO CS[C@H]1CN(C(=O)CSc2nnc3ccccn32)C[C@@H]1[NH+]1CCCC1 ZINC000275233495 532279356 /nfs/dbraw/zinc/27/93/56/532279356.db2.gz FOQKSUVHFZMCLB-KBPBESRZSA-N 1 0 377.539 1.860 20 0 GDADRO CS[C@H]1CN(C(=O)c2cc(C)ccc2S(N)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000275248312 532280228 /nfs/dbraw/zinc/28/02/28/532280228.db2.gz IDRMFWCIHIHWBG-GJZGRUSLSA-N 1 0 383.539 1.294 20 0 GDADRO CC[C@H]1[C@@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000349450312 532285668 /nfs/dbraw/zinc/28/56/68/532285668.db2.gz ABHJKBRPDPADEV-BBRMVZONSA-N 1 0 389.543 1.394 20 0 GDADRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000378433699 532286480 /nfs/dbraw/zinc/28/64/80/532286480.db2.gz RDCDLICBELCSOF-PBHICJAKSA-N 1 0 385.555 1.193 20 0 GDADRO CS[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)C[C@H]1[NH+]1CCCC1 ZINC000275338563 532287833 /nfs/dbraw/zinc/28/78/33/532287833.db2.gz 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ZINC000288692140 532303268 /nfs/dbraw/zinc/30/32/68/532303268.db2.gz XPNMIHNJHFAKKV-ZIAGYGMSSA-N 1 0 385.917 1.561 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000400236953 532303648 /nfs/dbraw/zinc/30/36/48/532303648.db2.gz HBFJDRBGOTVZFC-CHWSQXEVSA-N 1 0 397.324 1.747 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(I)cc1 ZINC000400249310 532304842 /nfs/dbraw/zinc/30/48/42/532304842.db2.gz NHHQECSXKIOPKT-ZWNOBZJWSA-N 1 0 394.278 1.976 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc(OC)c(OC)cc1Br ZINC000288749884 532306417 /nfs/dbraw/zinc/30/64/17/532306417.db2.gz NDABNTLSHUYLJI-VIFPVBQESA-N 1 0 375.219 1.685 20 0 GDADRO CC[N@H+](CCNS(=O)(=O)c1ccc(CCNC(=O)OC)s1)C1CC1 ZINC000276298609 532326410 /nfs/dbraw/zinc/32/64/10/532326410.db2.gz AZKMCKLOBZUGSU-UHFFFAOYSA-N 1 0 375.516 1.409 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CCC[C@H]([NH3+])C3)C2)s1 ZINC000275800359 532310665 /nfs/dbraw/zinc/31/06/65/532310665.db2.gz SRZICLRORRKTCR-KKUMJFAQSA-N 1 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/nfs/dbraw/zinc/32/67/90/532326790.db2.gz MORMUQVYYROQET-CQSZACIVSA-N 1 0 391.559 1.336 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000289748578 532331689 /nfs/dbraw/zinc/33/16/89/532331689.db2.gz HNGLLYNJIDPFCS-OLZOCXBDSA-N 1 0 388.251 1.495 20 0 GDADRO OCc1cn(CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)nn1 ZINC000289785270 532332046 /nfs/dbraw/zinc/33/20/46/532332046.db2.gz JUBFCAABHQYIIQ-UHFFFAOYSA-N 1 0 379.258 1.989 20 0 GDADRO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289846438 532333081 /nfs/dbraw/zinc/33/30/81/532333081.db2.gz BZEAGWKMISFTEI-XEZPLFJOSA-N 1 0 392.297 1.870 20 0 GDADRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000359999429 212131160 /nfs/dbraw/zinc/13/11/60/212131160.db2.gz ZBHXKACQBDHFCZ-OAHLLOKOSA-N 1 0 382.516 1.989 20 0 GDADRO O=C(CNC(=O)Cc1cccc2ccccc21)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000359954791 212125477 /nfs/dbraw/zinc/12/54/77/212125477.db2.gz FNLRWBYUEDITPX-RTBURBONSA-N 1 0 381.476 1.478 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CCC3(CC2)OCCO3)CC1=O ZINC000359928572 212124844 /nfs/dbraw/zinc/12/48/44/212124844.db2.gz VJJQNLWPVKGHRV-WBVHZDCISA-N 1 0 379.501 1.121 20 0 GDADRO CCCCS(=O)(=O)N1C[C@@H](C(=O)N2CCN(C)CC2)Oc2ccccc21 ZINC000359864267 212118383 /nfs/dbraw/zinc/11/83/83/212118383.db2.gz ATRSJLJACYQQCA-KRWDZBQOSA-N 1 0 381.498 1.158 20 0 GDADRO Cc1cccc(OCCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000359866430 212119822 /nfs/dbraw/zinc/11/98/22/212119822.db2.gz HZHPLBMUPCBTTE-GOSISDBHSA-N 1 0 376.501 1.080 20 0 GDADRO NC(=O)C1(N2CCN(C[C@@H](O)COCc3ccccc3Cl)CC2)CCCC1 ZINC000359864190 212119529 /nfs/dbraw/zinc/11/95/29/212119529.db2.gz ATLUCNMRZKVWIB-QGZVFWFLSA-N 1 0 395.931 1.633 20 0 GDADRO C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000275600214 570697086 /nfs/dbraw/zinc/69/70/86/570697086.db2.gz HXLJDWTYLMXBQQ-RBUKOAKNSA-N 1 0 389.496 1.142 20 0 GDADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000735734793 598826687 /nfs/dbraw/zinc/82/66/87/598826687.db2.gz OLAQWFCPNMXDGO-VKJFTORMSA-N 1 0 384.484 1.965 20 0 GDADRO C[C@@H](ON=C(N)C[N@@H+]1CCCC[C@@H]1C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736163219 598831660 /nfs/dbraw/zinc/83/16/60/598831660.db2.gz GXGRZCFAFYIZCV-QWHCGFSZSA-N 1 0 386.460 1.567 20 0 GDADRO CC(=O)NC[C@H]1CCC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000735473969 598851128 /nfs/dbraw/zinc/85/11/28/598851128.db2.gz DHUXQIJBJUMZFX-OAHLLOKOSA-N 1 0 395.471 1.239 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000737524640 598851749 /nfs/dbraw/zinc/85/17/49/598851749.db2.gz OXENBMHJSKRZOI-GOSISDBHSA-N 1 0 393.499 1.951 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000736269991 598869390 /nfs/dbraw/zinc/86/93/90/598869390.db2.gz ZRHZWLRLGJIBOI-NWDGAFQWSA-N 1 0 382.465 1.547 20 0 GDADRO COC(=O)[C@H]1CC12CC[NH+]([C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)CC2 ZINC000736909577 598872751 /nfs/dbraw/zinc/87/27/51/598872751.db2.gz QWLRGEVYTWQKAG-TZMCWYRMSA-N 1 0 384.440 1.469 20 0 GDADRO COC(=O)[C@H]1CC12CC[NH+](CCC(=O)Nc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000736910280 598873092 /nfs/dbraw/zinc/87/30/92/598873092.db2.gz VJUVFTSFACVWRP-OAHLLOKOSA-N 1 0 384.440 1.470 20 0 GDADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000736781114 598873828 /nfs/dbraw/zinc/87/38/28/598873828.db2.gz ZAYGQYKVVPQCJE-NSHDSACASA-N 1 0 382.877 1.377 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000738347343 598877637 /nfs/dbraw/zinc/87/76/37/598877637.db2.gz HMNVFCCDVWJBKG-LBPRGKRZSA-N 1 0 380.449 1.112 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H](C[NH+](C)C)C1 ZINC000735549558 598899106 /nfs/dbraw/zinc/89/91/06/598899106.db2.gz AKFXAMBFRDPSCU-NWDGAFQWSA-N 1 0 377.880 1.731 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1CCCCCC1 ZINC000735525815 598903814 /nfs/dbraw/zinc/90/38/14/598903814.db2.gz QGPPHNKTTWBDGZ-HNNXBMFYSA-N 1 0 384.488 1.175 20 0 GDADRO C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736762798 598911526 /nfs/dbraw/zinc/91/15/26/598911526.db2.gz KJXOJUOUXSOXPR-SFHVURJKSA-N 1 0 383.500 1.636 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000736857081 598913917 /nfs/dbraw/zinc/91/39/17/598913917.db2.gz SFJCBAYRAONLMU-UHFFFAOYSA-N 1 0 376.465 1.001 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000737297720 598930427 /nfs/dbraw/zinc/93/04/27/598930427.db2.gz KGFODZMSWWMJTR-UHFFFAOYSA-N 1 0 378.502 1.575 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000738412037 599011224 /nfs/dbraw/zinc/01/12/24/599011224.db2.gz DYJLYXDRMDCNFQ-UHFFFAOYSA-N 1 0 377.408 1.850 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2-c2nn[nH]n2)[C@H](C)C1 ZINC000736614574 599016723 /nfs/dbraw/zinc/01/67/23/599016723.db2.gz IAWSFCHZSADZPJ-TZMCWYRMSA-N 1 0 378.502 1.795 20 0 GDADRO COc1ccc(CCC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000737088043 599095775 /nfs/dbraw/zinc/09/57/75/599095775.db2.gz KQBHHDJODYIGBM-SFHVURJKSA-N 1 0 396.451 1.633 20 0 GDADRO C[C@@H](CN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736025600 599099658 /nfs/dbraw/zinc/09/96/58/599099658.db2.gz LWUKGIAKSLHBCD-KSSFIOAISA-N 1 0 379.468 1.503 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)C2 ZINC000738427551 599103022 /nfs/dbraw/zinc/10/30/22/599103022.db2.gz XEKWKWJNUCKCSH-KSSFIOAISA-N 1 0 394.483 1.862 20 0 GDADRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000736230338 599135442 /nfs/dbraw/zinc/13/54/42/599135442.db2.gz SKNHBIHFLKKIEN-YPMHNXCESA-N 1 0 377.880 1.873 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCCC3(CCOCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292352 599146319 /nfs/dbraw/zinc/14/63/19/599146319.db2.gz ZKFKVJTWBRISPD-KRWDZBQOSA-N 1 0 382.468 1.865 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000821180516 599204031 /nfs/dbraw/zinc/20/40/31/599204031.db2.gz DOJCDMKANZBMCS-CQSZACIVSA-N 1 0 388.472 1.444 20 0 GDADRO C[C@H](C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000735538250 599212989 /nfs/dbraw/zinc/21/29/89/599212989.db2.gz YOGFUAIGXQVGQB-OAHLLOKOSA-N 1 0 380.452 1.882 20 0 GDADRO Cc1c(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cccc1-c1nn[nH]n1 ZINC000822052328 607273013 /nfs/dbraw/zinc/27/30/13/607273013.db2.gz BWSBKZADUAYOGJ-CQSZACIVSA-N 1 0 399.499 1.742 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cccc1-c1nn[nH]n1 ZINC000822044201 607273787 /nfs/dbraw/zinc/27/37/87/607273787.db2.gz IKYZZBINCCYZTR-UHFFFAOYSA-N 1 0 397.483 1.591 20 0 GDADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000736169580 599248529 /nfs/dbraw/zinc/24/85/29/599248529.db2.gz LFNKFKRSQXIQFE-HZPDHXFCSA-N 1 0 384.484 1.968 20 0 GDADRO Cc1c(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)cccc1-c1nn[nH]n1 ZINC000822035349 607278961 /nfs/dbraw/zinc/27/89/61/607278961.db2.gz SZJXJZDZRNGXQP-UHFFFAOYSA-N 1 0 397.439 1.297 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000737524617 599251879 /nfs/dbraw/zinc/25/18/79/599251879.db2.gz OPJRIEXOVJAOIU-INIZCTEOSA-N 1 0 396.455 1.619 20 0 GDADRO Cc1cc(C)c(-c2nn[nH]n2)c(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000737244393 599268647 /nfs/dbraw/zinc/26/86/47/599268647.db2.gz GLHUQGUNZGCUDA-INIZCTEOSA-N 1 0 393.499 1.896 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736237005 599270808 /nfs/dbraw/zinc/27/08/08/599270808.db2.gz NGEYBCGDASOYNC-FCEWJHQRSA-N 1 0 397.527 1.820 20 0 GDADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736295534 599288591 /nfs/dbraw/zinc/28/85/91/599288591.db2.gz VHVIAFQGGCHVBA-CJNGLKHVSA-N 1 0 380.456 1.975 20 0 GDADRO C[N@H+](CC1CCCC1)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736793746 598234416 /nfs/dbraw/zinc/23/44/16/598234416.db2.gz LCMACKAOJWTTNV-IBGZPJMESA-N 1 0 383.456 1.713 20 0 GDADRO O=C(COc1ccc(-c2nn[nH]n2)cc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000737918583 598241861 /nfs/dbraw/zinc/24/18/61/598241861.db2.gz FEMSPFZXCDGCIL-UHFFFAOYSA-N 1 0 386.456 1.007 20 0 GDADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000737853861 598241926 /nfs/dbraw/zinc/24/19/26/598241926.db2.gz WBQHMYDXHIMWDG-UHFFFAOYSA-N 1 0 384.484 1.561 20 0 GDADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000736482166 598256981 /nfs/dbraw/zinc/25/69/81/598256981.db2.gz VWWUTSKJZDXRBF-ROUUACIJSA-N 1 0 399.499 1.652 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(F)c(-c4nn[nH]n4)c3)CC2)c1 ZINC000737159786 598265803 /nfs/dbraw/zinc/26/58/03/598265803.db2.gz PUIDOCJOSDWKJN-UHFFFAOYSA-N 1 0 398.402 1.764 20 0 GDADRO C[C@H](CNC(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)[N@H+](C)C1CC1 ZINC000736016524 598270388 /nfs/dbraw/zinc/27/03/88/598270388.db2.gz ADMCNCLOUXKEBS-CQSZACIVSA-N 1 0 399.499 1.902 20 0 GDADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735875662 598270433 /nfs/dbraw/zinc/27/04/33/598270433.db2.gz YSLIRFHHEBJLQF-QZTJIDSGSA-N 1 0 399.499 1.650 20 0 GDADRO O=C(NCCNc1ncccc1-c1nn[nH]n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000738078557 598271866 /nfs/dbraw/zinc/27/18/66/598271866.db2.gz RZFMNURIBFNIIC-HNNXBMFYSA-N 1 0 399.503 1.334 20 0 GDADRO CC[NH+]1CCC(NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736569884 598294281 /nfs/dbraw/zinc/29/42/81/598294281.db2.gz JOQZJQWLBKFCCM-UHFFFAOYSA-N 1 0 384.488 1.183 20 0 GDADRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736411878 598300069 /nfs/dbraw/zinc/30/00/69/598300069.db2.gz LRKKEWBJBQRYFG-HNNXBMFYSA-N 1 0 399.499 1.824 20 0 GDADRO C[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)[NH+]1CCC(C)CC1 ZINC000736278667 598325174 /nfs/dbraw/zinc/32/51/74/598325174.db2.gz SYLXCPSWHBBVJB-CYBMUJFWSA-N 1 0 375.452 1.925 20 0 GDADRO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000736406839 598366504 /nfs/dbraw/zinc/36/65/04/598366504.db2.gz LRENMBQWDZVZOV-QGZVFWFLSA-N 1 0 384.463 1.799 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc(-c4nn[nH]n4)cs3)CC2)CC1 ZINC000820127042 607355197 /nfs/dbraw/zinc/35/51/97/607355197.db2.gz HRBPJUZZCYVGJJ-UHFFFAOYSA-N 1 0 389.529 1.559 20 0 GDADRO Cc1cc(N2CC[NH+](CCCO)CC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737270138 598393743 /nfs/dbraw/zinc/39/37/43/598393743.db2.gz BGKSJDADLRVVEZ-UHFFFAOYSA-N 1 0 392.467 1.480 20 0 GDADRO CC(C)[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C[C@H](C)O ZINC000736144956 598415934 /nfs/dbraw/zinc/41/59/34/598415934.db2.gz RNNZTQHINMKQQB-ZDUSSCGKSA-N 1 0 384.444 1.082 20 0 GDADRO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737874991 598423759 /nfs/dbraw/zinc/42/37/59/598423759.db2.gz HAQCRYBAHDGJLW-ZDUSSCGKSA-N 1 0 375.864 1.629 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000736860215 598427694 /nfs/dbraw/zinc/42/76/94/598427694.db2.gz MPQCHXHHTGVXDF-AWEZNQCLSA-N 1 0 377.443 1.751 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736768695 598433639 /nfs/dbraw/zinc/43/36/39/598433639.db2.gz HVSAWBQTFRGXOZ-UHFFFAOYSA-N 1 0 380.456 1.535 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736769817 598433669 /nfs/dbraw/zinc/43/36/69/598433669.db2.gz TXUFCXRTNBBWKW-UHFFFAOYSA-N 1 0 398.446 1.674 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738151131 598486233 /nfs/dbraw/zinc/48/62/33/598486233.db2.gz GJQDJZWXLFRNLT-MRXNPFEDSA-N 1 0 383.456 1.282 20 0 GDADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)C[C@H](O)COCc1ccccc1 ZINC000736804399 598514344 /nfs/dbraw/zinc/51/43/44/598514344.db2.gz MXEFSEOMLLNXQG-KRWDZBQOSA-N 1 0 383.452 1.755 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000738432147 598522522 /nfs/dbraw/zinc/52/25/22/598522522.db2.gz CGWDZGAZOCADLB-IRXDYDNUSA-N 1 0 393.499 1.359 20 0 GDADRO c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000738424090 598522668 /nfs/dbraw/zinc/52/26/68/598522668.db2.gz AXRHTVGLRJSLLN-ZDUSSCGKSA-N 1 0 376.428 1.080 20 0 GDADRO COCC[N@H+](C)CCOc1cccc(CNc2ncccc2-c2nn[nH]n2)c1 ZINC000736990535 598522834 /nfs/dbraw/zinc/52/28/34/598522834.db2.gz OXSQQSVERFKFAS-UHFFFAOYSA-N 1 0 383.456 1.831 20 0 GDADRO FC(F)(F)CO[C@H]1CCC[N@H+](C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000737628429 598523629 /nfs/dbraw/zinc/52/36/29/598523629.db2.gz VQVOCTUOHUXGEB-QWRGUYRKSA-N 1 0 386.382 1.148 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCCOCCc1ccccc1)C2 ZINC000738432207 598523933 /nfs/dbraw/zinc/52/39/33/598523933.db2.gz DTFDVIIDZZSKDM-MRXNPFEDSA-N 1 0 382.472 1.344 20 0 GDADRO CCN(CC)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccco1 ZINC000736532315 598527216 /nfs/dbraw/zinc/52/72/16/598527216.db2.gz ANYYNXVOTBLIOC-DZGCQCFKSA-N 1 0 385.476 1.371 20 0 GDADRO CCn1c2ccccc2nc1[C@H](C)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736721020 598532257 /nfs/dbraw/zinc/53/22/57/598532257.db2.gz ZSVBBOOKBFAQRL-QWHCGFSZSA-N 1 0 392.471 1.825 20 0 GDADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH2+]C[C@@H]3COCCO3)c2)c1 ZINC000738410382 598562800 /nfs/dbraw/zinc/56/28/00/598562800.db2.gz LNXVQNPJFSLXOI-GOSISDBHSA-N 1 0 381.436 1.951 20 0 GDADRO C[NH+](C)[C@@H]1CCN(C(=O)NCCSCc2ccccc2-c2nn[nH]n2)C1 ZINC000736756755 598605751 /nfs/dbraw/zinc/60/57/51/598605751.db2.gz LFLXABOJXNEMJN-CQSZACIVSA-N 1 0 375.502 1.445 20 0 GDADRO c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000738411408 598622454 /nfs/dbraw/zinc/62/24/54/598622454.db2.gz DOVXKVNSPCKTAU-SFHVURJKSA-N 1 0 386.500 1.822 20 0 GDADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000737943700 598665466 /nfs/dbraw/zinc/66/54/66/598665466.db2.gz VTLQNKIRCUIFIJ-UHFFFAOYSA-N 1 0 381.465 1.703 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N(C)CC[NH+]1CCCC1 ZINC000737032532 598670443 /nfs/dbraw/zinc/67/04/43/598670443.db2.gz IBXIJSKULVRZQS-UHFFFAOYSA-N 1 0 388.472 1.589 20 0 GDADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736772031 598688250 /nfs/dbraw/zinc/68/82/50/598688250.db2.gz URYSJEQJMOURQW-UHFFFAOYSA-N 1 0 390.444 1.546 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CCCCCC1 ZINC000736755674 598689943 /nfs/dbraw/zinc/68/99/43/598689943.db2.gz CVIQDPSHPBAHCL-UHFFFAOYSA-N 1 0 396.492 1.939 20 0 GDADRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736277097 598690316 /nfs/dbraw/zinc/69/03/16/598690316.db2.gz SOTXBMMFHZPYSR-UHFFFAOYSA-N 1 0 396.492 1.796 20 0 GDADRO C[C@@H](CNC(=O)CNc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736015179 598693764 /nfs/dbraw/zinc/69/37/64/598693764.db2.gz YYBGCIXMHUYCTO-HNNXBMFYSA-N 1 0 379.468 1.915 20 0 GDADRO CN(C(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000736732219 598697434 /nfs/dbraw/zinc/69/74/34/598697434.db2.gz NJLOVYKZKGMVJB-ZWKOTPCHSA-N 1 0 381.484 1.531 20 0 GDADRO CN(C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000736733553 598697458 /nfs/dbraw/zinc/69/74/58/598697458.db2.gz UOEABTPDETWYMO-GOSISDBHSA-N 1 0 384.484 1.968 20 0 GDADRO COC(=O)CN(C)C(=O)CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000736919632 598701784 /nfs/dbraw/zinc/70/17/84/598701784.db2.gz UZQPENANHJBBGM-UHFFFAOYSA-N 1 0 388.472 1.346 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736568878 598701935 /nfs/dbraw/zinc/70/19/35/598701935.db2.gz DWBOSLWXIPXGNM-CQSZACIVSA-N 1 0 389.529 1.101 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736237013 598716354 /nfs/dbraw/zinc/71/63/54/598716354.db2.gz NJQORSJLMHEAOB-HOTGVXAUSA-N 1 0 387.507 1.996 20 0 GDADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1CC[NH+](CCO)CC1 ZINC000735904735 598728772 /nfs/dbraw/zinc/72/87/72/598728772.db2.gz AOOKVIOMAUFIJC-UHFFFAOYSA-N 1 0 389.460 1.232 20 0 GDADRO CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736853694 598743673 /nfs/dbraw/zinc/74/36/73/598743673.db2.gz ZOHMSINNICSIKU-SFHVURJKSA-N 1 0 383.500 1.036 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccnc(C2CC2)n1 ZINC000736767063 598754863 /nfs/dbraw/zinc/75/48/63/598754863.db2.gz KJUJWXBLJPYNKD-UHFFFAOYSA-N 1 0 392.467 1.738 20 0 GDADRO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736909538 598763649 /nfs/dbraw/zinc/76/36/49/598763649.db2.gz JGEDYSLEXUUXTR-LLVKDONJSA-N 1 0 392.847 1.734 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736453519 598767694 /nfs/dbraw/zinc/76/76/94/598767694.db2.gz PFMQNELFLJXZNT-UHFFFAOYSA-N 1 0 379.852 1.307 20 0 GDADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736846820 598813187 /nfs/dbraw/zinc/81/31/87/598813187.db2.gz CYMPQINZJDWJHX-UHFFFAOYSA-N 1 0 384.893 1.482 20 0 GDADRO Cn1cc(C(=O)NCC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000737601259 598813403 /nfs/dbraw/zinc/81/34/03/598813403.db2.gz BNUPWUJPJMQICT-UHFFFAOYSA-N 1 0 380.456 1.242 20 0 GDADRO O=C(CCCC[NH+]1CCCC1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737827257 598820457 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388.447 1.657 20 0 GDADRO COc1cccc(O[C@H](C)C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821872101 599382697 /nfs/dbraw/zinc/38/26/97/599382697.db2.gz IWIRZVGWXYIANY-PXAZEXFGSA-N 1 0 382.424 1.459 20 0 GDADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000737853744 599391944 /nfs/dbraw/zinc/39/19/44/599391944.db2.gz UQDQAZSTJJZVRM-MRXNPFEDSA-N 1 0 384.484 1.416 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000821687744 599444051 /nfs/dbraw/zinc/44/40/51/599444051.db2.gz MOUOFYVBDUPEHY-UHFFFAOYSA-N 1 0 391.451 1.306 20 0 GDADRO COc1ccc([C@@H](C)CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000821778057 599448062 /nfs/dbraw/zinc/44/80/62/599448062.db2.gz SPPFIANWEHMXLR-KBPBESRZSA-N 1 0 382.472 1.897 20 0 GDADRO CN(C)C(=O)c1cccc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000821579758 599448147 /nfs/dbraw/zinc/44/81/47/599448147.db2.gz MODGDHATWJPJCR-UHFFFAOYSA-N 1 0 390.451 1.549 20 0 GDADRO C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)Oc1ccccc1Cl ZINC000820275711 599453423 /nfs/dbraw/zinc/45/34/23/599453423.db2.gz QYCMKTDWTXKAKO-RYUDHWBXSA-N 1 0 388.863 1.815 20 0 GDADRO O[C@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)C[NH+]1CCCCC1 ZINC000823689795 599475511 /nfs/dbraw/zinc/47/55/11/599475511.db2.gz JHZKXOIIESWNCT-LLVKDONJSA-N 1 0 389.410 1.374 20 0 GDADRO CCCNC(=O)c1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736487158 599484149 /nfs/dbraw/zinc/48/41/49/599484149.db2.gz DOSXQMRUXFBTPR-UHFFFAOYSA-N 1 0 390.451 1.944 20 0 GDADRO O=C(c1ccoc1)N1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000738291457 599485152 /nfs/dbraw/zinc/48/51/52/599485152.db2.gz XQBBWSAHZLREAT-UHFFFAOYSA-N 1 0 392.423 1.502 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N[C@@H](C)[C@H](C)[NH+]3CCOCC3)c2c1 ZINC000822195334 599528919 /nfs/dbraw/zinc/52/89/19/599528919.db2.gz PBIQCWHAPWGJJG-GJZGRUSLSA-N 1 0 381.484 1.975 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(CN(C)c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000820479954 599532704 /nfs/dbraw/zinc/53/27/04/599532704.db2.gz DJGDQPVVTHWXMS-CQSZACIVSA-N 1 0 381.484 1.944 20 0 GDADRO COCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)C[C@H]1C ZINC000821691489 599534824 /nfs/dbraw/zinc/53/48/24/599534824.db2.gz WHGVBJDVRNBBGN-LLVKDONJSA-N 1 0 389.410 1.850 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C[C@@H]1C ZINC000820481204 599553325 /nfs/dbraw/zinc/55/33/25/599553325.db2.gz UAPLDUDZZUPEFK-STQMWFEESA-N 1 0 390.492 1.342 20 0 GDADRO c1cc(-c2nnc(CN3CCC[C@@H]3C[NH+]3CCCC3)o2)ccc1-c1nn[nH]n1 ZINC000823737657 599573078 /nfs/dbraw/zinc/57/30/78/599573078.db2.gz HGMBEMIMWLLQKA-MRXNPFEDSA-N 1 0 380.456 1.977 20 0 GDADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CC[C@H](C[NH+]4CCOCC4)C3)o2)c1 ZINC000823737505 599579108 /nfs/dbraw/zinc/57/91/08/599579108.db2.gz GAKAHCPDHDTRDE-CQSZACIVSA-N 1 0 396.455 1.071 20 0 GDADRO COC(=O)Nc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736938316 599598890 /nfs/dbraw/zinc/59/88/90/599598890.db2.gz CJYRRPHCCGFKGQ-CYBMUJFWSA-N 1 0 397.443 1.116 20 0 GDADRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964897 599638943 /nfs/dbraw/zinc/63/89/43/599638943.db2.gz SIQNBQBJWNYMAX-TZMCWYRMSA-N 1 0 384.362 1.583 20 0 GDADRO COCCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821692245 599642680 /nfs/dbraw/zinc/64/26/80/599642680.db2.gz RWRMPPNXUYSBNB-GXTWGEPZSA-N 1 0 392.460 1.388 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821188898 599643584 /nfs/dbraw/zinc/64/35/84/599643584.db2.gz FJWNQCQVIWFQJW-AWEZNQCLSA-N 1 0 375.477 1.679 20 0 GDADRO CC(C)C[C@@H]1CC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000820067108 599646171 /nfs/dbraw/zinc/64/61/71/599646171.db2.gz CZKKOBXEIYTCLP-HNNXBMFYSA-N 1 0 397.483 1.956 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820349807 599681982 /nfs/dbraw/zinc/68/19/82/599681982.db2.gz ITSZROFKQMEDCO-IAOVAPTHSA-N 1 0 385.472 1.168 20 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ZINC000820767663 607485208 /nfs/dbraw/zinc/48/52/08/607485208.db2.gz JNWAJYDHCOIKGF-LRDDRELGSA-N 1 0 396.492 1.544 20 0 GDADRO C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000827369143 601129416 /nfs/dbraw/zinc/12/94/16/601129416.db2.gz PDSDFAJJJPENGL-OAHLLOKOSA-N 1 0 378.473 1.640 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000820092234 607493967 /nfs/dbraw/zinc/49/39/67/607493967.db2.gz JKPYQKIZFWEUQU-ZDUSSCGKSA-N 1 0 396.492 1.652 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829765344 601219985 /nfs/dbraw/zinc/21/99/85/601219985.db2.gz QHGCWBAXQLHIML-CQSZACIVSA-N 1 0 387.502 1.323 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000825453734 607512745 /nfs/dbraw/zinc/51/27/45/607512745.db2.gz WOXJHOMMVPQHLZ-YOEHRIQHSA-N 1 0 387.488 1.617 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)[C@H](C)C1 ZINC000825452871 607513106 /nfs/dbraw/zinc/51/31/06/607513106.db2.gz RQSYNILNPHERHE-UKRRQHHQSA-N 1 0 387.492 1.045 20 0 GDADRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000740367077 602527480 /nfs/dbraw/zinc/52/74/80/602527480.db2.gz DWWNSIRXMZRNJV-MSOLQXFVSA-N 1 0 378.517 1.726 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000825302096 607574009 /nfs/dbraw/zinc/57/40/09/607574009.db2.gz WKAAOAQLNBLATI-HNNXBMFYSA-N 1 0 387.488 1.749 20 0 GDADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000825327334 607580019 /nfs/dbraw/zinc/58/00/19/607580019.db2.gz IYEJUWDEFRQUSR-UHFFFAOYSA-N 1 0 384.893 1.673 20 0 GDADRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000825865776 607580278 /nfs/dbraw/zinc/58/02/78/607580278.db2.gz KLNCGIRVDVJYEN-UHFFFAOYSA-N 1 0 386.481 1.619 20 0 GDADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000825870120 607585264 /nfs/dbraw/zinc/58/52/64/607585264.db2.gz AMNZSRCGUZLCFY-UHFFFAOYSA-N 1 0 390.444 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XTWJGYZQVOMGFD-AWEZNQCLSA-N 1 0 382.465 1.300 20 0 GDADRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C ZINC000825860257 608333693 /nfs/dbraw/zinc/33/36/93/608333693.db2.gz MSUGAZRKOGRQSQ-HNNXBMFYSA-N 1 0 398.508 1.792 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000826168180 608362447 /nfs/dbraw/zinc/36/24/47/608362447.db2.gz FGJXABGIPJAOKM-UHFFFAOYSA-N 1 0 392.463 1.894 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000826168919 608375330 /nfs/dbraw/zinc/37/53/30/608375330.db2.gz CFAMDLDENXXPGX-IAGOWNOFSA-N 1 0 383.456 1.697 20 0 GDADRO C[N@@H+]1CCCC12CCN(CCS(=O)(=O)c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826034663 608381805 /nfs/dbraw/zinc/38/18/05/608381805.db2.gz UYEZRNZDUWCSGB-UHFFFAOYSA-N 1 0 390.513 1.201 20 0 GDADRO CC[C@H]1C[N@H+](CCn2cccn2)CCN1Cc1cccc(-c2nn[nH]n2)c1F ZINC000825210034 608391407 /nfs/dbraw/zinc/39/14/07/608391407.db2.gz FDHSKIKTPZQROU-INIZCTEOSA-N 1 0 384.463 1.799 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000826389555 608436370 /nfs/dbraw/zinc/43/63/70/608436370.db2.gz ATFYVJVHHWOXAX-QGZVFWFLSA-N 1 0 392.467 1.333 20 0 GDADRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000824094467 608458160 /nfs/dbraw/zinc/45/81/60/608458160.db2.gz WEZAOOKJFYBLOH-UHFFFAOYSA-N 1 0 387.488 1.013 20 0 GDADRO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554561 608460348 /nfs/dbraw/zinc/46/03/48/608460348.db2.gz QLUUWSJDMZQZAI-OAHLLOKOSA-N 1 0 395.467 1.455 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562290 608465176 /nfs/dbraw/zinc/46/51/76/608465176.db2.gz DZIJCJZLVINGDE-HNNXBMFYSA-N 1 0 391.479 1.696 20 0 GDADRO c1ccc2c(c1)OCC[C@@H]2C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826524518 608518507 /nfs/dbraw/zinc/51/85/07/608518507.db2.gz YCCVIBJBJPYBQW-MRXNPFEDSA-N 1 0 377.452 1.950 20 0 GDADRO O=C1[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1CC(F)(F)F ZINC000826477258 608520636 /nfs/dbraw/zinc/52/06/36/608520636.db2.gz YPIYAFNEJDNRLP-KGLIPLIRSA-N 1 0 380.374 1.997 20 0 GDADRO Cn1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)n1 ZINC000826363295 608521963 /nfs/dbraw/zinc/52/19/63/608521963.db2.gz GLSWEXNEDRRSEZ-IAGOWNOFSA-N 1 0 392.467 1.763 20 0 GDADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC000826165678 608522950 /nfs/dbraw/zinc/52/29/50/608522950.db2.gz FDZDPCZXYGGRGU-ZBFHGGJFSA-N 1 0 380.456 1.587 20 0 GDADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826223160 608524739 /nfs/dbraw/zinc/52/47/39/608524739.db2.gz CSYZCYYKKRZPLK-ZBFHGGJFSA-N 1 0 376.486 1.258 20 0 GDADRO C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(-n2ccnn2)cc1 ZINC000824562572 608559716 /nfs/dbraw/zinc/55/97/16/608559716.db2.gz HFNLHEKYRMCHKG-NSHDSACASA-N 1 0 395.452 1.798 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000826174754 608595208 /nfs/dbraw/zinc/59/52/08/608595208.db2.gz IIUSSHQGMIMKKP-UHFFFAOYSA-N 1 0 386.456 1.341 20 0 GDADRO C[N@H+](CCN1CCN(Cc2ccc(-c3nn[nH]n3)o2)CC1)Cc1ccccc1 ZINC000825937641 608682511 /nfs/dbraw/zinc/68/25/11/608682511.db2.gz FNYZAYIKAVHYHL-UHFFFAOYSA-N 1 0 381.484 1.709 20 0 GDADRO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)n1 ZINC000826324416 608688419 /nfs/dbraw/zinc/68/84/19/608688419.db2.gz PXJJZCJHAWGQQI-OAHLLOKOSA-N 1 0 392.471 1.635 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(-c4nn[nH]n4)s3)CC2)CC1 ZINC000824297291 608742222 /nfs/dbraw/zinc/74/22/22/608742222.db2.gz SNFAQJQLGBQDCW-UHFFFAOYSA-N 1 0 375.546 1.919 20 0 GDADRO COc1cc(C[N@@H+]2CC[C@@H](Nc3cnccc3-c3nn[nH]n3)C2)cc(OC)c1 ZINC000826179478 608791852 /nfs/dbraw/zinc/79/18/52/608791852.db2.gz PTIBCDHVHUULDR-CQSZACIVSA-N 1 0 381.440 1.965 20 0 GDADRO NC(=O)N[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000826392409 608850180 /nfs/dbraw/zinc/85/01/80/608850180.db2.gz XKIPHNBFLWNJQE-MRXNPFEDSA-N 1 0 393.451 1.688 20 0 GDADRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824578494 609136741 /nfs/dbraw/zinc/13/67/41/609136741.db2.gz UNBCPERQAXYCNB-SCLBCKFNSA-N 1 0 392.504 1.864 20 0 GDADRO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824586042 609141200 /nfs/dbraw/zinc/14/12/00/609141200.db2.gz WMBBVKSWFRIQEG-TZMCWYRMSA-N 1 0 375.452 1.244 20 0 GDADRO C[C@H](O)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000824689714 609145672 /nfs/dbraw/zinc/14/56/72/609145672.db2.gz NEROIZJBKJPAIR-WDEREUQCSA-N 1 0 376.486 1.448 20 0 GDADRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258928 609153833 /nfs/dbraw/zinc/15/38/33/609153833.db2.gz BKXNPVAMPSDSOA-CQSZACIVSA-N 1 0 380.456 1.432 20 0 GDADRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825399320 609169206 /nfs/dbraw/zinc/16/92/06/609169206.db2.gz PPVRHASCDOFBJD-PBHICJAKSA-N 1 0 399.499 1.599 20 0 GDADRO CC[NH+](CC)CCCNC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000825412106 609183212 /nfs/dbraw/zinc/18/32/12/609183212.db2.gz KFJGNGWUEPUJNU-UHFFFAOYSA-N 1 0 382.472 1.823 20 0 GDADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826430161 609196280 /nfs/dbraw/zinc/19/62/80/609196280.db2.gz VRQCGLHOOYPCQV-RBUKOAKNSA-N 1 0 392.463 1.681 20 0 GDADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000824957369 609215944 /nfs/dbraw/zinc/21/59/44/609215944.db2.gz XJFALDPMLABLSF-QFBILLFUSA-N 1 0 398.511 1.871 20 0 GDADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C(=O)N1c1cnn(C)c1 ZINC000824893424 609240449 /nfs/dbraw/zinc/24/04/49/609240449.db2.gz QRKWOJVVVSCZNB-UUWFMWQGSA-N 1 0 392.467 1.761 20 0 GDADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826431375 609242993 /nfs/dbraw/zinc/24/29/93/609242993.db2.gz ZPFUTVIDHGWTJC-GOSISDBHSA-N 1 0 384.484 1.813 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824650357 609318550 /nfs/dbraw/zinc/31/85/50/609318550.db2.gz QZWQVTWYKFGPEM-KBPBESRZSA-N 1 0 390.513 1.798 20 0 GDADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824576429 609331761 /nfs/dbraw/zinc/33/17/61/609331761.db2.gz AEPPBPUBOPYQRR-LLVKDONJSA-N 1 0 382.465 1.328 20 0 GDADRO Cn1cc(C[NH2+]CCCC(=O)NC2CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361708 609337662 /nfs/dbraw/zinc/33/76/62/609337662.db2.gz KJSVOIKAMZIEIP-UHFFFAOYSA-N 1 0 380.456 1.416 20 0 GDADRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824975626 609341424 /nfs/dbraw/zinc/34/14/24/609341424.db2.gz KPPXJTLBQMHFGB-SCLBCKFNSA-N 1 0 378.484 1.840 20 0 GDADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000824910280 609358553 /nfs/dbraw/zinc/35/85/53/609358553.db2.gz WSVZHMVNYDCBCT-SKDRFNHKSA-N 1 0 379.262 1.715 20 0 GDADRO C[NH+](C)C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2Br)CCO1 ZINC000825859615 609361583 /nfs/dbraw/zinc/36/15/83/609361583.db2.gz HZGFFXLBWCBOJC-ZDUSSCGKSA-N 1 0 381.278 1.392 20 0 GDADRO Cc1nnc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(-c2nn[nH]n2)c1C ZINC000826336844 609387811 /nfs/dbraw/zinc/38/78/11/609387811.db2.gz QEZAZBLMXPCNNJ-MRXNPFEDSA-N 1 0 380.456 1.452 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)c(Br)c1 ZINC000530806147 649981155 /nfs/dbraw/zinc/98/11/55/649981155.db2.gz HTLHBXQDZQLKAW-NSHDSACASA-N 1 0 384.274 1.854 20 0 GDADRO NC(=O)[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389374 609509040 /nfs/dbraw/zinc/50/90/40/609509040.db2.gz WIXULVGWUZCQCI-OAHLLOKOSA-N 1 0 376.342 1.643 20 0 GDADRO O=S(=O)(Cc1ccc(-c2nn[nH]n2)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826486141 609512789 /nfs/dbraw/zinc/51/27/89/609512789.db2.gz QFUAIFXBDHOBTD-SFHVURJKSA-N 1 0 398.492 1.561 20 0 GDADRO CC(C)[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824289119 609513994 /nfs/dbraw/zinc/51/39/94/609513994.db2.gz ULHWLQHYOBWVSS-UHFFFAOYSA-N 1 0 388.472 1.535 20 0 GDADRO Cc1c(Cl)cnc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c1-c1nn[nH]n1 ZINC000826240561 609527177 /nfs/dbraw/zinc/52/71/77/609527177.db2.gz ZZNGPHOPQZPDHF-UHFFFAOYSA-N 1 0 399.890 1.982 20 0 GDADRO CC[C@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000825176136 609529842 /nfs/dbraw/zinc/52/98/42/609529842.db2.gz HLMURQACVBNUKE-MSOLQXFVSA-N 1 0 386.500 1.962 20 0 GDADRO Cc1ccnc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1-c1nn[nH]n1 ZINC000826311402 609557430 /nfs/dbraw/zinc/55/74/30/609557430.db2.gz DACPZFFBPXODHZ-HNNXBMFYSA-N 1 0 379.472 1.588 20 0 GDADRO CC[C@@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000825176322 609577313 /nfs/dbraw/zinc/57/73/13/609577313.db2.gz PDPAANNDUHURDP-QZTJIDSGSA-N 1 0 386.500 1.962 20 0 GDADRO CN(C)c1ncc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000825883228 609599591 /nfs/dbraw/zinc/59/95/91/609599591.db2.gz DUACLSFHWSMNBU-INIZCTEOSA-N 1 0 393.455 1.008 20 0 GDADRO 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Cc1ccc(S(=O)(=O)NCCNC(=O)CCN(C)c2cc[nH+]cc2)s1 ZINC000543714753 650428870 /nfs/dbraw/zinc/42/88/70/650428870.db2.gz GKWFXNKYXIJTOV-UHFFFAOYSA-N 1 0 382.511 1.373 20 0 GDADRO C[N@@H+]1CC[C@@H]1CNC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000916161798 660187869 /nfs/dbraw/zinc/18/78/69/660187869.db2.gz YZTKWMYBEMYFMH-CQSZACIVSA-N 1 0 383.290 1.572 20 0 GDADRO CC[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCCO1 ZINC000544460403 650439788 /nfs/dbraw/zinc/43/97/88/650439788.db2.gz JHUBFSZVJMSTIE-GXTWGEPZSA-N 1 0 375.878 1.473 20 0 GDADRO Cc1c(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000545858654 650462424 /nfs/dbraw/zinc/46/24/24/650462424.db2.gz IWOWXZFGBJDZHK-INIZCTEOSA-N 1 0 384.889 1.179 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)NCC[N@H+]2CC=C(C)CC2)s1 ZINC000545858949 650462485 /nfs/dbraw/zinc/46/24/85/650462485.db2.gz KULSZNPBHGBWRD-UHFFFAOYSA-N 1 0 386.543 1.286 20 0 GDADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccncc2Br)CC1 ZINC000546036534 650468359 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CN(C(=O)CNC(=O)c1ccc(Br)s1)[C@H]1C[NH+]2CCC1CC2 ZINC000547425158 650497477 /nfs/dbraw/zinc/49/74/77/650497477.db2.gz ZWFPYSNELHPBLZ-NSHDSACASA-N 1 0 386.315 1.793 20 0 GDADRO O=S1(=O)CC[C@@H]([NH2+]C[C@@]2(O)CCOC2)c2cc(Br)ccc21 ZINC000547826317 650516907 /nfs/dbraw/zinc/51/69/07/650516907.db2.gz FCEGTARCILSVTK-OCCSQVGLSA-N 1 0 376.272 1.409 20 0 GDADRO C[N@H+](CCC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C1CCCCC1 ZINC000548064097 650529758 /nfs/dbraw/zinc/52/97/58/650529758.db2.gz ULWBWCJGFKULAX-HNNXBMFYSA-N 1 0 388.555 1.654 20 0 GDADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000548187351 650533704 /nfs/dbraw/zinc/53/37/04/650533704.db2.gz QHCIBQVDSWYHJA-OAHLLOKOSA-N 1 0 375.535 1.144 20 0 GDADRO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000548753278 650562262 /nfs/dbraw/zinc/56/22/62/650562262.db2.gz OFSWTJPDIVFZBA-TXEJJXNPSA-N 1 0 391.946 1.717 20 0 GDADRO COC[C@H](O)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000549227170 650572940 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MBWKBVSKVGMMHG-GRYCIOLGSA-N 1 0 385.559 1.617 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000553692077 650653777 /nfs/dbraw/zinc/65/37/77/650653777.db2.gz SKXUCEVVPJAEKO-NSHDSACASA-N 1 0 379.935 1.670 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cn1 ZINC000554029439 650667069 /nfs/dbraw/zinc/66/70/69/650667069.db2.gz IVBADXCJDFHXRV-NTZNESFSSA-N 1 0 383.290 1.620 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000555046246 650684981 /nfs/dbraw/zinc/68/49/81/650684981.db2.gz CHRPIEMFIURGKK-UHFFFAOYSA-N 1 0 381.420 1.488 20 0 GDADRO C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ncc(Br)cn1 ZINC000555718663 650695114 /nfs/dbraw/zinc/69/51/14/650695114.db2.gz GKIYZCITIOJLRY-NWDGAFQWSA-N 1 0 385.310 1.235 20 0 GDADRO COCC[NH+]1CCC(NC(=O)N[C@H](C)c2ncc(Br)cn2)CC1 ZINC000555719311 650695123 /nfs/dbraw/zinc/69/51/23/650695123.db2.gz YDAFEYFZOOHPMI-LLVKDONJSA-N 1 0 386.294 1.710 20 0 GDADRO COc1cc(C(=O)NCCN2CC[NH+](C)CC2)cc(Br)c1OC ZINC000555799647 650695909 /nfs/dbraw/zinc/69/59/09/650695909.db2.gz GXGWHYLEOVTPSY-UHFFFAOYSA-N 1 0 386.290 1.444 20 0 GDADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000556664917 650707839 /nfs/dbraw/zinc/70/78/39/650707839.db2.gz CCMSLMHJEZPFIQ-LBPRGKRZSA-N 1 0 379.262 2.194 20 0 GDADRO C[NH+](C)CCCC1CCN(C(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000556734814 650710112 /nfs/dbraw/zinc/71/01/12/650710112.db2.gz ZQMFRERPTHLINU-UHFFFAOYSA-N 1 0 376.567 1.468 20 0 GDADRO O=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000557362202 650723664 /nfs/dbraw/zinc/72/36/64/650723664.db2.gz OSSUJFDFWMTUKZ-ZFWWWQNUSA-N 1 0 383.539 1.502 20 0 GDADRO O=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000557362198 650723676 /nfs/dbraw/zinc/72/36/76/650723676.db2.gz OSSUJFDFWMTUKZ-HIFRSBDPSA-N 1 0 383.539 1.502 20 0 GDADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000557499099 650727073 /nfs/dbraw/zinc/72/70/73/650727073.db2.gz KOBWKIZCUBULFO-HNNXBMFYSA-N 1 0 385.921 1.738 20 0 GDADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cc[nH]c(=O)c1Br ZINC000561851102 650735945 /nfs/dbraw/zinc/73/59/45/650735945.db2.gz JKGDTDJERWFJMO-UHFFFAOYSA-N 1 0 395.257 1.815 20 0 GDADRO O=C(NCc1cc(Cl)ccc1OC(F)F)C(=O)NCC1CC[NH2+]CC1 ZINC000563620886 650737190 /nfs/dbraw/zinc/73/71/90/650737190.db2.gz GBZPQNJFNCXRBX-UHFFFAOYSA-N 1 0 375.803 1.673 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000564177668 650750963 /nfs/dbraw/zinc/75/09/63/650750963.db2.gz AZBJAEFKVSAMRS-UHFFFAOYSA-N 1 0 375.300 1.932 20 0 GDADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3cc(F)cc(Br)c3F)CCN2C1=O ZINC000564471119 650759117 /nfs/dbraw/zinc/75/91/17/650759117.db2.gz NECPRLFKFWTDDD-PSASIEDQSA-N 1 0 389.200 1.503 20 0 GDADRO O=C(COC1C[NH2+]C1)NCc1cc(Cl)cc(I)c1 ZINC000564328665 650754881 /nfs/dbraw/zinc/75/48/81/650754881.db2.gz PIAPSNNLPJDYHR-UHFFFAOYSA-N 1 0 380.613 1.549 20 0 GDADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CN3CCCS3(=O)=O)C2)s1 ZINC000564371663 650755965 /nfs/dbraw/zinc/75/59/65/650755965.db2.gz QNMXGWWUDCFRAR-OAHLLOKOSA-N 1 0 385.555 1.372 20 0 GDADRO COCC[NH2+]C1CCN(S(=O)(=O)c2cccc(Cl)c2C(=O)OC)CC1 ZINC000564461084 650758816 /nfs/dbraw/zinc/75/88/16/650758816.db2.gz HUIJDKKTODAWSV-UHFFFAOYSA-N 1 0 390.889 1.516 20 0 GDADRO O=C(NCC[NH+]1CCC1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000564768867 650767098 /nfs/dbraw/zinc/76/70/98/650767098.db2.gz DFPBPMNWIZFEAF-HNNXBMFYSA-N 1 0 380.286 1.762 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1)[C@H](C)[NH3+] ZINC000564657814 650764065 /nfs/dbraw/zinc/76/40/65/650764065.db2.gz PAYVMWKSOLYRNN-ZOWXZIJZSA-N 1 0 397.317 1.975 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000564938296 650773579 /nfs/dbraw/zinc/77/35/79/650773579.db2.gz PNGZBJATEFPZOP-MISXGVKJSA-N 1 0 383.290 1.979 20 0 GDADRO CC(C)c1[nH]nc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c1Br ZINC000564944145 650774035 /nfs/dbraw/zinc/77/40/35/650774035.db2.gz FFANJTMWDGBOJN-UHFFFAOYSA-N 1 0 383.254 1.076 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[NH3+]C1(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CCC1 ZINC000567162591 650889690 /nfs/dbraw/zinc/88/96/90/650889690.db2.gz BMOWCMFIQOPYCG-UHFFFAOYSA-N 1 0 392.308 1.708 20 0 GDADRO COCC[C@@H](COC)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567228889 650893855 /nfs/dbraw/zinc/89/38/55/650893855.db2.gz DKLOMJMCOLTEKT-ZDUSSCGKSA-N 1 0 380.304 1.864 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000567271805 650897002 /nfs/dbraw/zinc/89/70/02/650897002.db2.gz WGFNMJWIKBGMIL-MNOVXSKESA-N 1 0 394.324 1.858 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)s1 ZINC000567250493 650895565 /nfs/dbraw/zinc/89/55/65/650895565.db2.gz MLEVBSXNUSNYKH-AWEZNQCLSA-N 1 0 387.571 1.825 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000567338619 650900281 /nfs/dbraw/zinc/90/02/81/650900281.db2.gz WYJFJWNMDWMPJQ-NSHDSACASA-N 1 0 379.276 1.115 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567356834 650901301 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CC(C)C[C@@H](C[NH+](C)C)NC(=O)NNC(=O)c1cc(Br)cn1C ZINC000121660873 644682920 /nfs/dbraw/zinc/68/29/20/644682920.db2.gz NHEGOQNMWYTPNM-LBPRGKRZSA-N 1 0 388.310 1.708 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC000123243610 644694204 /nfs/dbraw/zinc/69/42/04/644694204.db2.gz ACXSSNZKQAUGPG-CHWSQXEVSA-N 1 0 391.287 1.784 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NC2(C[NH3+])CCCC2)c1 ZINC000124047071 644702833 /nfs/dbraw/zinc/70/28/33/644702833.db2.gz TUVNZDIDYOGUEH-UHFFFAOYSA-N 1 0 391.287 1.786 20 0 GDADRO C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000127425686 644726146 /nfs/dbraw/zinc/72/61/46/644726146.db2.gz PUJAPMVXIWMTLK-UHFFFAOYSA-N 1 0 385.917 1.902 20 0 GDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NNC(=O)c1cc(Br)cn1C ZINC000127494684 644726295 /nfs/dbraw/zinc/72/62/95/644726295.db2.gz XBLMLBDSJTUACP-LLVKDONJSA-N 1 0 386.294 1.606 20 0 GDADRO CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[NH+](C)C ZINC000131164709 644744162 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376.226 1.636 20 0 GDADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415532337 645896746 /nfs/dbraw/zinc/89/67/46/645896746.db2.gz QUESTNONMBAING-ZDUSSCGKSA-N 1 0 382.262 1.477 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1)C1CC1 ZINC000415537875 645898007 /nfs/dbraw/zinc/89/80/07/645898007.db2.gz QLBJJDHDGQDGCZ-GFCCVEGCSA-N 1 0 392.257 1.427 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000418093437 645908570 /nfs/dbraw/zinc/90/85/70/645908570.db2.gz SLBGYACUNVNOAW-KCPJHIHWSA-N 1 0 395.301 1.852 20 0 GDADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418094375 645908822 /nfs/dbraw/zinc/90/88/22/645908822.db2.gz HZATUIFYSCRJIR-VNHYZAJKSA-N 1 0 379.302 1.889 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000418095842 645908923 /nfs/dbraw/zinc/90/89/23/645908923.db2.gz WIIGIFQLRZFPLB-PBHICJAKSA-N 1 0 395.301 1.935 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)s2)cs1 ZINC000419073778 645912032 /nfs/dbraw/zinc/91/20/32/645912032.db2.gz LGUWHNQWNRTEDV-LBPRGKRZSA-N 1 0 378.523 1.788 20 0 GDADRO O=C(NCCOc1ncc(Cl)cc1Cl)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419399114 645915531 /nfs/dbraw/zinc/91/55/31/645915531.db2.gz IFQBITXKGGWZLZ-LLVKDONJSA-N 1 0 375.256 1.142 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1Br ZINC000419438473 645917749 /nfs/dbraw/zinc/91/77/49/645917749.db2.gz HNOIJIXNTKIKCN-MFKMUULPSA-N 1 0 384.274 1.270 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000419461637 645918685 /nfs/dbraw/zinc/91/86/85/645918685.db2.gz LBKIJAWFHHVVKN-GFCCVEGCSA-N 1 0 380.286 1.404 20 0 GDADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419484240 645920196 /nfs/dbraw/zinc/92/01/96/645920196.db2.gz WMCUQIFMXLJDCV-XPTSAGLGSA-N 1 0 386.265 1.489 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000419523539 645922953 /nfs/dbraw/zinc/92/29/53/645922953.db2.gz OGPDMKNJSUIXDM-CQSZACIVSA-N 1 0 382.302 1.793 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1nc(C(F)(F)F)cs1)C1CCCC1 ZINC000419643339 645925842 /nfs/dbraw/zinc/92/58/42/645925842.db2.gz OGHVLHPIIOPVAB-JTQLQIEISA-N 1 0 378.420 1.454 20 0 GDADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419646463 645926276 /nfs/dbraw/zinc/92/62/76/645926276.db2.gz YYKDDLRFBHJPKJ-SMDDNHRTSA-N 1 0 384.274 1.073 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccc(Br)s1 ZINC000419713038 645928699 /nfs/dbraw/zinc/92/86/99/645928699.db2.gz RHRWXDGRLSCFFJ-MMWGEVLESA-N 1 0 386.315 1.884 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419771254 645931751 /nfs/dbraw/zinc/93/17/51/645931751.db2.gz FNDKGWNORKERNX-GHMZBOCLSA-N 1 0 384.274 1.442 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000419870187 645932537 /nfs/dbraw/zinc/93/25/37/645932537.db2.gz WRHYVIXVGFOGGS-NSHDSACASA-N 1 0 398.276 1.589 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419871622 645932662 /nfs/dbraw/zinc/93/26/62/645932662.db2.gz LHWCJQDSKAACEC-ZIAGYGMSSA-N 1 0 398.301 1.672 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420193403 645938613 /nfs/dbraw/zinc/93/86/13/645938613.db2.gz IVHUSEPZTCETEH-HNNXBMFYSA-N 1 0 396.285 1.045 20 0 GDADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NC[C@@H]1C[NH2+]CCO1 ZINC000420475766 645944209 /nfs/dbraw/zinc/94/42/09/645944209.db2.gz HLPYQTLDWZOFFT-NSHDSACASA-N 1 0 383.695 1.510 20 0 GDADRO Cc1cc(CCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1Br ZINC000570987176 651061590 /nfs/dbraw/zinc/06/15/90/651061590.db2.gz XJWITNHMPQCPPT-ZFWWWQNUSA-N 1 0 380.286 1.461 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1nn(C)cc1I ZINC000420835722 645971883 /nfs/dbraw/zinc/97/18/83/645971883.db2.gz DAUNXJPVVAZBDO-JTQLQIEISA-N 1 0 391.257 1.260 20 0 GDADRO CNC(=O)[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000420974708 645977209 /nfs/dbraw/zinc/97/72/09/645977209.db2.gz NCKQDVJDXDNIMU-ZDUSSCGKSA-N 1 0 398.301 1.354 20 0 GDADRO CNC(=O)[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000420983076 645978006 /nfs/dbraw/zinc/97/80/06/645978006.db2.gz YXVKSBOYQDXOAP-JQWIXIFHSA-N 1 0 391.693 1.910 20 0 GDADRO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000421020814 645979143 /nfs/dbraw/zinc/97/91/43/645979143.db2.gz OTLABQMIXZPJER-TZMCWYRMSA-N 1 0 387.311 1.882 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422125973 646043775 /nfs/dbraw/zinc/04/37/75/646043775.db2.gz WKCTUPKODDTUKN-JTQLQIEISA-N 1 0 378.420 1.673 20 0 GDADRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000916575324 660195541 /nfs/dbraw/zinc/19/55/41/660195541.db2.gz MMAYDQIUMRYIQM-KMUNFCNLSA-N 1 0 376.425 1.239 20 0 GDADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCCc2cccc(Br)c2)C1 ZINC000422479092 646070022 /nfs/dbraw/zinc/07/00/22/646070022.db2.gz QZQALFNWZGMWAU-HNNXBMFYSA-N 1 0 396.329 1.956 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422558694 646079072 /nfs/dbraw/zinc/07/90/72/646079072.db2.gz ZKCDFQCXXXYZSQ-IPYPFGDCSA-N 1 0 388.555 1.701 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000422930796 646100586 /nfs/dbraw/zinc/10/05/86/646100586.db2.gz VXMWGIJURRDUDN-UHFFFAOYSA-N 1 0 396.289 1.931 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1 ZINC000422943224 646101933 /nfs/dbraw/zinc/10/19/33/646101933.db2.gz QQQLZJMZGYJNGT-UKRRQHHQSA-N 1 0 385.917 1.561 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000422989218 646105561 /nfs/dbraw/zinc/10/55/61/646105561.db2.gz KXQZRHYCAODOIN-TZMCWYRMSA-N 1 0 380.286 1.475 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000422997889 646106952 /nfs/dbraw/zinc/10/69/52/646106952.db2.gz OZMKNXJCHOAJJM-KRWDZBQOSA-N 1 0 380.286 1.620 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000423007288 646108199 /nfs/dbraw/zinc/10/81/99/646108199.db2.gz XLHFAEHFCQKDMY-CQSZACIVSA-N 1 0 398.301 1.497 20 0 GDADRO COC[C@]1(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC[NH2+]C1 ZINC000423075770 646111456 /nfs/dbraw/zinc/11/14/56/646111456.db2.gz PFQHABMIASUDKB-ZBEGNZNMSA-N 1 0 377.268 1.475 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000423100113 646113875 /nfs/dbraw/zinc/11/38/75/646113875.db2.gz BMCUIFKFASOGDT-WFASDCNBSA-N 1 0 380.286 1.920 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000423100109 646113958 /nfs/dbraw/zinc/11/39/58/646113958.db2.gz BMCUIFKFASOGDT-IUODEOHRSA-N 1 0 380.286 1.920 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)C[C@H]1C[NH3+] ZINC000423173092 646117137 /nfs/dbraw/zinc/11/71/37/646117137.db2.gz WWNSXEWDYYGRLT-ZYHUDNBSSA-N 1 0 388.331 1.912 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000423182191 646118684 /nfs/dbraw/zinc/11/86/84/646118684.db2.gz QBJLFLINHBAFSS-AWEZNQCLSA-N 1 0 384.274 1.027 20 0 GDADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000423240723 646121417 /nfs/dbraw/zinc/12/14/17/646121417.db2.gz KZVYOLKTDPOHJH-SWLSCSKDSA-N 1 0 386.279 1.843 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423396273 646124675 /nfs/dbraw/zinc/12/46/75/646124675.db2.gz BCDQQKBRZWJZTN-UHFFFAOYSA-N 1 0 398.301 1.626 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)C1 ZINC000423518699 646126757 /nfs/dbraw/zinc/12/67/57/646126757.db2.gz OXOMAHNGLJQSKA-LBPRGKRZSA-N 1 0 380.286 1.402 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(c3cccc(Br)c3)CC2)C1 ZINC000423533877 646128944 /nfs/dbraw/zinc/12/89/44/646128944.db2.gz UMNAPUOLHOAZDB-ZDUSSCGKSA-N 1 0 394.313 1.962 20 0 GDADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423567523 646130819 /nfs/dbraw/zinc/13/08/19/646130819.db2.gz DBVJGJLFIDEOKA-JSGCOSHPSA-N 1 0 394.313 1.920 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000423571642 646131581 /nfs/dbraw/zinc/13/15/81/646131581.db2.gz VZOMXBGUJDAINF-UHFFFAOYSA-N 1 0 382.258 1.751 20 0 GDADRO COCCN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423579825 646133241 /nfs/dbraw/zinc/13/32/41/646133241.db2.gz PUSMXZSTLLPJAO-LLVKDONJSA-N 1 0 390.303 1.045 20 0 GDADRO CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000423579981 646133330 /nfs/dbraw/zinc/13/33/30/646133330.db2.gz QCBVBTPALPSLMZ-AAEUAGOBSA-N 1 0 382.258 1.291 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000423589683 646134585 /nfs/dbraw/zinc/13/45/85/646134585.db2.gz CQYRWAKEGQCOKO-ZDUSSCGKSA-N 1 0 394.313 1.759 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000423629857 646139319 /nfs/dbraw/zinc/13/93/19/646139319.db2.gz KRZGQUHGZDNXNR-QWHCGFSZSA-N 1 0 384.933 1.255 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423675587 646141912 /nfs/dbraw/zinc/14/19/12/646141912.db2.gz BFWBFIVSCCADPZ-CABCVRRESA-N 1 0 380.286 1.760 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000423672615 646141971 /nfs/dbraw/zinc/14/19/71/646141971.db2.gz OERCVCQCSOOFBD-GJZGRUSLSA-N 1 0 398.301 1.372 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)C1 ZINC000423691486 646143972 /nfs/dbraw/zinc/14/39/72/646143972.db2.gz AZAOPDGKAOJAGW-OAHLLOKOSA-N 1 0 396.329 1.908 20 0 GDADRO CN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@H](C[NH3+])C1CC1 ZINC000423956408 646146224 /nfs/dbraw/zinc/14/62/24/646146224.db2.gz SZHGVXIKEZCIGT-SWLSCSKDSA-N 1 0 380.286 1.998 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C[C@@H]1[NH3+] ZINC000423962184 646146973 /nfs/dbraw/zinc/14/69/73/646146973.db2.gz TZWZEGKAYDXQGB-XCBNKYQSSA-N 1 0 379.251 1.411 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423989033 646149486 /nfs/dbraw/zinc/14/94/86/646149486.db2.gz BBPXNPQWBIHAOE-ZFWWWQNUSA-N 1 0 379.507 1.588 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)NC[C@@H]3C[NH2+]CCO3)CC2=O)ccc1Br ZINC000423993107 646150422 /nfs/dbraw/zinc/15/04/22/646150422.db2.gz 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ZINC000424066949 646159041 /nfs/dbraw/zinc/15/90/41/646159041.db2.gz YYKHLUZMBJLILL-HNNXBMFYSA-N 1 0 399.329 1.957 20 0 GDADRO CC(C)c1n[nH]c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1Br ZINC000424224771 646165953 /nfs/dbraw/zinc/16/59/53/646165953.db2.gz LBIPIOYNEXRGKG-WDEREUQCSA-N 1 0 381.278 1.596 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000424358543 646174697 /nfs/dbraw/zinc/17/46/97/646174697.db2.gz AKAVBPGAHPNMDQ-TZMCWYRMSA-N 1 0 379.479 1.136 20 0 GDADRO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439434633 646231746 /nfs/dbraw/zinc/23/17/46/646231746.db2.gz SUYYAZYTOWJMHM-OCCSQVGLSA-N 1 0 375.238 1.538 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000440438384 646242721 /nfs/dbraw/zinc/24/27/21/646242721.db2.gz DLYWZLGKUGBTHJ-UHFFFAOYSA-N 1 0 391.559 1.323 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000440510665 646246056 /nfs/dbraw/zinc/24/60/56/646246056.db2.gz 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1.976 20 0 GDADRO COc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)sc1S(N)(=O)=O ZINC000446958906 647300264 /nfs/dbraw/zinc/30/02/64/647300264.db2.gz RXENNIMXGPQVRT-ZBEGNZNMSA-N 1 0 389.543 1.644 20 0 GDADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(OC)c(S(N)(=O)=O)s2)CC1 ZINC000446965706 647301303 /nfs/dbraw/zinc/30/13/03/647301303.db2.gz KOUXMMNCDYLXLS-UHFFFAOYSA-N 1 0 389.543 1.598 20 0 GDADRO CS(=O)(=O)Nc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1Cl ZINC000452344294 647320945 /nfs/dbraw/zinc/32/09/45/647320945.db2.gz CJGZPNFOMOZKBP-ZDUSSCGKSA-N 1 0 389.905 1.288 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453659817 647326114 /nfs/dbraw/zinc/32/61/14/647326114.db2.gz VXUJYTDVOIJBQL-CYBMUJFWSA-N 1 0 399.289 1.318 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1Br ZINC000453804525 647337371 /nfs/dbraw/zinc/33/73/71/647337371.db2.gz ICIWNCRCNYLKHK-CYBMUJFWSA-N 1 0 398.301 1.659 20 0 GDADRO C[C@H](CNC(=O)NCCn1cc(Br)ccc1=O)C[NH+]1CCCC1 ZINC000454628553 647358523 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CN(Cc1ncc(Br)cn1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000921310832 660286011 /nfs/dbraw/zinc/28/60/11/660286011.db2.gz DBGWHGSVRQAOSU-CQSZACIVSA-N 1 0 388.335 1.818 20 0 GDADRO OC[C@@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000459643034 647462524 /nfs/dbraw/zinc/46/25/24/647462524.db2.gz HVCUKMVPLFIEJH-SWLSCSKDSA-N 1 0 394.693 1.661 20 0 GDADRO CCOc1cc(C[NH2+]C[C@H](O)Cn2ccnn2)cc(Br)c1OC ZINC000459705557 647465162 /nfs/dbraw/zinc/46/51/62/647465162.db2.gz UQJRIUJRHTZKKU-LBPRGKRZSA-N 1 0 385.262 1.599 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c(Br)c1 ZINC000461897589 647503077 /nfs/dbraw/zinc/50/30/77/647503077.db2.gz CGFWEZVGBOGDIX-GFCCVEGCSA-N 1 0 391.287 1.594 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000461899383 647503328 /nfs/dbraw/zinc/50/33/28/647503328.db2.gz JEGKGSGQQLDAFO-INIZCTEOSA-N 1 0 389.543 1.075 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)cs1 ZINC000462289566 647519842 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CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000577473168 651730906 /nfs/dbraw/zinc/73/09/06/651730906.db2.gz KCVVKKPPADXYBX-GFCCVEGCSA-N 1 0 383.283 2.204 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000577849845 651757820 /nfs/dbraw/zinc/75/78/20/651757820.db2.gz JMKITGBPMFZVDI-MNOVXSKESA-N 1 0 392.262 1.521 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000578032998 651767753 /nfs/dbraw/zinc/76/77/53/651767753.db2.gz NQYXABQXLBZION-UHFFFAOYSA-N 1 0 383.290 1.562 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000578762872 651812358 /nfs/dbraw/zinc/81/23/58/651812358.db2.gz GOBPLZFGZYYQHU-LBPRGKRZSA-N 1 0 377.894 1.074 20 0 GDADRO O=C(COc1cccc(I)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000578887780 651822300 /nfs/dbraw/zinc/82/23/00/651822300.db2.gz KKTPJBMLSFKOCE-NWDGAFQWSA-N 1 0 386.233 1.738 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000578928604 651825894 /nfs/dbraw/zinc/82/58/94/651825894.db2.gz SMOYOPFAFFKJFU-AWEZNQCLSA-N 1 0 388.559 1.352 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000579026397 651833714 /nfs/dbraw/zinc/83/37/14/651833714.db2.gz WUPKNYGLLJXTFU-SECBINFHSA-N 1 0 381.267 1.956 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000579111816 651838877 /nfs/dbraw/zinc/83/88/77/651838877.db2.gz USSKRQAJMATDRJ-MNOVXSKESA-N 1 0 375.288 1.419 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000579111817 651839015 /nfs/dbraw/zinc/83/90/15/651839015.db2.gz USSKRQAJMATDRJ-QWRGUYRKSA-N 1 0 375.288 1.419 20 0 GDADRO OC[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1cccnc1 ZINC000579240055 651844652 /nfs/dbraw/zinc/84/46/52/651844652.db2.gz YFWAOZVDVUJUMA-ZBFHGGJFSA-N 1 0 381.270 1.950 20 0 GDADRO Cn1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(-c2ccc(Cl)s2)n1 ZINC000579259405 651846974 /nfs/dbraw/zinc/84/69/74/651846974.db2.gz UHNSHPGEFJPIOC-KOLCDFICSA-N 1 0 379.873 1.186 20 0 GDADRO O=C(CC[NH2+][C@H]1CCCN(CCO)C1=O)Nc1cccc(Br)c1 ZINC000579353774 651852800 /nfs/dbraw/zinc/85/28/00/651852800.db2.gz ITOYDOXZEABBSI-AWEZNQCLSA-N 1 0 384.274 1.351 20 0 GDADRO C[C@H](CNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2)[NH+]1CCC(C)CC1 ZINC000579571122 651868486 /nfs/dbraw/zinc/86/84/86/651868486.db2.gz DOBGFWTZPDNHHL-GFCCVEGCSA-N 1 0 386.543 1.856 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCNc1cccc(Br)c1 ZINC000579588489 651869577 /nfs/dbraw/zinc/86/95/77/651869577.db2.gz QIOHGXOUDUKZCZ-AWEZNQCLSA-N 1 0 383.290 1.236 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCC[NH+]1CCCCC1 ZINC000579651237 651874102 /nfs/dbraw/zinc/87/41/02/651874102.db2.gz XPIIRYQSRVNCDA-UHFFFAOYSA-N 1 0 394.324 1.874 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000579900201 651883576 /nfs/dbraw/zinc/88/35/76/651883576.db2.gz ZXCULGGNDVIEAB-WDEREUQCSA-N 1 0 394.324 1.823 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCc4ccc(Br)cc43)C[C@H]21 ZINC000580050700 651891685 /nfs/dbraw/zinc/89/16/85/651891685.db2.gz RAPYSJYCHAVLSO-NWANDNLSSA-N 1 0 392.297 1.924 20 0 GDADRO CN(CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C(=O)c1ccc(Br)o1 ZINC000580070903 651893505 /nfs/dbraw/zinc/89/35/05/651893505.db2.gz AARHBZKBOYQGGQ-MRXNPFEDSA-N 1 0 384.274 1.716 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)cc1I ZINC000580073188 651893527 /nfs/dbraw/zinc/89/35/27/651893527.db2.gz DXMJLZIKBLTCKA-UHFFFAOYSA-N 1 0 394.278 1.878 20 0 GDADRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCCn3cc(Br)cn3)cc2C1 ZINC000580170035 651901064 /nfs/dbraw/zinc/90/10/64/651901064.db2.gz FSMRGIHOUDGUSP-GFCCVEGCSA-N 1 0 379.262 1.678 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cccc(I)c1 ZINC000580212158 651904815 /nfs/dbraw/zinc/90/48/15/651904815.db2.gz ZEJIOUIDIRRSBP-GXSJLCMTSA-N 1 0 380.251 1.792 20 0 GDADRO C[C@@H](OC[C@@H](O)C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000580709630 651935281 /nfs/dbraw/zinc/93/52/81/651935281.db2.gz ILFVRZVXOHFHPD-DYVFJYSZSA-N 1 0 390.933 1.792 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000580821452 651941449 /nfs/dbraw/zinc/94/14/49/651941449.db2.gz CABJOGPIHCDRIG-JTQLQIEISA-N 1 0 381.889 1.938 20 0 GDADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581299947 651970474 /nfs/dbraw/zinc/97/04/74/651970474.db2.gz VZVFOZYNZZLWEN-NSHDSACASA-N 1 0 377.436 1.394 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581380748 651976829 /nfs/dbraw/zinc/97/68/29/651976829.db2.gz DOGONQPXXDIZGM-IXPVHAAZSA-N 1 0 398.276 1.537 20 0 GDADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000581489663 651977863 /nfs/dbraw/zinc/97/78/63/651977863.db2.gz CBJUDVMJUVRCQX-OAHLLOKOSA-N 1 0 379.507 1.501 20 0 GDADRO CN(C)c1cc(NC(=O)c2ccn(CC[NH+](C)C)n2)ncc1Br ZINC000581499108 651978382 /nfs/dbraw/zinc/97/83/82/651978382.db2.gz TWGDELWUTWYRNP-UHFFFAOYSA-N 1 0 381.278 1.921 20 0 GDADRO CC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000581498542 651978411 /nfs/dbraw/zinc/97/84/11/651978411.db2.gz BLCAHOYHAYIXPG-YMTOWFKASA-N 1 0 390.303 1.590 20 0 GDADRO C[C@H]1CC[C@@H]([N@H+](CCO)CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000582814450 652017271 /nfs/dbraw/zinc/01/72/71/652017271.db2.gz TUGJXAJKFROKLL-NWDGAFQWSA-N 1 0 389.905 1.409 20 0 GDADRO CN1CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)[C@@H](C[NH3+])C1 ZINC000582953943 652021547 /nfs/dbraw/zinc/02/15/47/652021547.db2.gz GSGLULLBSHOOPL-ZANVPECISA-N 1 0 387.253 1.306 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000583194465 652029638 /nfs/dbraw/zinc/02/96/38/652029638.db2.gz RDYKEKZDFJCQBA-UHOFOFEASA-N 1 0 394.313 1.927 20 0 GDADRO COc1ncc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1Br ZINC000583257638 652032024 /nfs/dbraw/zinc/03/20/24/652032024.db2.gz LHQKTJVBEMZJQK-UHFFFAOYSA-N 1 0 397.317 1.799 20 0 GDADRO Cc1cc(Br)cc2cc(C(=O)NCC(=O)N3CC[NH2+]CC3)oc21 ZINC000583625541 652043463 /nfs/dbraw/zinc/04/34/63/652043463.db2.gz KMDMDNHVAXAXOI-UHFFFAOYSA-N 1 0 380.242 1.665 20 0 GDADRO O=C1C[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)[C@H]2CCCCN12 ZINC000583930386 652050107 /nfs/dbraw/zinc/05/01/07/652050107.db2.gz CRINHTBHOFIZJC-CWRNSKLLSA-N 1 0 383.286 1.932 20 0 GDADRO O=C1C[C@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)[C@H]2CCCCN12 ZINC000583930388 652050231 /nfs/dbraw/zinc/05/02/31/652050231.db2.gz CRINHTBHOFIZJC-VNQPRFMTSA-N 1 0 383.286 1.932 20 0 GDADRO COc1cc(Br)c(C[NH2+]CCCN2CCNC(=O)C2)c(OC)c1 ZINC000584182978 652060134 /nfs/dbraw/zinc/06/01/34/652060134.db2.gz QQFYVUGGTCUGJH-UHFFFAOYSA-N 1 0 386.290 1.378 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)c2cnccn2)c(Br)c1 ZINC000585766836 652087632 /nfs/dbraw/zinc/08/76/32/652087632.db2.gz AXZLFRBTWNZVHV-UHFFFAOYSA-N 1 0 393.241 1.545 20 0 GDADRO CS[C@H](C)C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@@H](C)SC ZINC000588165234 652097550 /nfs/dbraw/zinc/09/75/50/652097550.db2.gz JSGLCIKBIWKBDU-HUUCEWRRSA-N 1 0 375.604 1.872 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000588754772 652100535 /nfs/dbraw/zinc/10/05/35/652100535.db2.gz QJXLPUYCYRJEMV-NSHDSACASA-N 1 0 377.869 1.345 20 0 GDADRO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000589127830 652109313 /nfs/dbraw/zinc/10/93/13/652109313.db2.gz VJIYXUOPKDYGOQ-LBPRGKRZSA-N 1 0 381.376 1.552 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589143814 652110386 /nfs/dbraw/zinc/11/03/86/652110386.db2.gz PCRCARRKTBLTQP-OAHLLOKOSA-N 1 0 385.917 1.705 20 0 GDADRO CNS(=O)(=O)c1ccc(NC(=O)NCC2(SC)CC[NH+](C)CC2)cc1 ZINC000589331393 652112639 /nfs/dbraw/zinc/11/26/39/652112639.db2.gz UUUTVVHHJJRANR-UHFFFAOYSA-N 1 0 386.543 1.544 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(I)c(O)c1 ZINC000590372006 652129572 /nfs/dbraw/zinc/12/95/72/652129572.db2.gz SSGIZUJCOFRNJQ-LLVKDONJSA-N 1 0 390.221 1.183 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(I)cn3)CC2)C1 ZINC000590690381 652140685 /nfs/dbraw/zinc/14/06/85/652140685.db2.gz ZONAYIYDCSSFDA-AWEZNQCLSA-N 1 0 386.281 1.902 20 0 GDADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c2ncccc12 ZINC000590751134 652144596 /nfs/dbraw/zinc/14/45/96/652144596.db2.gz JFDLLJFTBXCXCV-DZGCQCFKSA-N 1 0 381.523 1.910 20 0 GDADRO CSC1(CNC(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)CC[NH+](C)CC1 ZINC000590821316 652147583 /nfs/dbraw/zinc/14/75/83/652147583.db2.gz AFZHTMMMQJHWKP-KBPBESRZSA-N 1 0 375.560 1.175 20 0 GDADRO CSC[C@H](C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000591741325 652164683 /nfs/dbraw/zinc/16/46/83/652164683.db2.gz IAVGSHYSIMKERP-LBPRGKRZSA-N 1 0 380.557 1.052 20 0 GDADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000592208000 652176971 /nfs/dbraw/zinc/17/69/71/652176971.db2.gz LZBMURFARRWSKE-RAIGVLPGSA-N 1 0 378.252 1.589 20 0 GDADRO O=C(COc1cccc(I)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592245894 652178172 /nfs/dbraw/zinc/17/81/72/652178172.db2.gz JVMFMSAUZQAUID-BXUZGUMPSA-N 1 0 386.233 1.880 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000592293141 652182024 /nfs/dbraw/zinc/18/20/24/652182024.db2.gz USTXUIABDPNOQC-HOCLYGCPSA-N 1 0 385.555 1.345 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000592555633 652194941 /nfs/dbraw/zinc/19/49/41/652194941.db2.gz YJMQXRIMQPHGKV-GXTWGEPZSA-N 1 0 399.285 1.888 20 0 GDADRO C[NH+](C)CCN1CCN(Cc2ccc(I)cc2)CC1=O ZINC000593050634 652209207 /nfs/dbraw/zinc/20/92/07/652209207.db2.gz GXOUOFITVXSOQG-UHFFFAOYSA-N 1 0 387.265 1.497 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)C[C@H]1C[NH3+] ZINC000593731182 652244896 /nfs/dbraw/zinc/24/48/96/652244896.db2.gz TXIDUIQIJQINBP-ZWNOBZJWSA-N 1 0 376.862 1.111 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)C1 ZINC000594319469 652278439 /nfs/dbraw/zinc/27/84/39/652278439.db2.gz WMGVSDNYFHECAX-FFAKIYQDSA-N 1 0 385.917 1.613 20 0 GDADRO CS[C@@H]1CN(C(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000594340153 652279527 /nfs/dbraw/zinc/27/95/27/652279527.db2.gz ZPRLQBSQRYPUTN-JKSUJKDBSA-N 1 0 389.587 1.086 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCCCc3ccc(Br)cc3)CCN2C1=O ZINC000594876929 652384619 /nfs/dbraw/zinc/38/46/19/652384619.db2.gz JIGGGTZUCZYWEG-CVEARBPZSA-N 1 0 394.313 1.932 20 0 GDADRO O[C@@H](C[NH2+][C@H]1CCc2ccc(I)cc21)Cn1ccnn1 ZINC000595052547 652389551 /nfs/dbraw/zinc/38/95/51/652389551.db2.gz RMMHTCIAXLBBDL-JSGCOSHPSA-N 1 0 384.221 1.521 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000595103992 652391738 /nfs/dbraw/zinc/39/17/38/652391738.db2.gz AGANPTDDPSRKSU-LLVKDONJSA-N 1 0 391.287 1.738 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000595108225 652392546 /nfs/dbraw/zinc/39/25/46/652392546.db2.gz LDXQZNFRDMZHFA-UWVGGRQHSA-N 1 0 391.287 1.607 20 0 GDADRO COC1(C(=O)NCCc2ccc(I)cc2)CC[NH2+]CC1 ZINC000595258322 652400342 /nfs/dbraw/zinc/40/03/42/652400342.db2.gz BRSAJXJGODPNBU-UHFFFAOYSA-N 1 0 388.249 1.719 20 0 GDADRO COC(=O)CCN1CC[C@@H]([N@H+](C)CCOc2ccc(Br)cc2)C1=O ZINC000595290681 652402054 /nfs/dbraw/zinc/40/20/54/652402054.db2.gz 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380.432 1.928 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCN1C1CCC1 ZINC000629617430 653178483 /nfs/dbraw/zinc/17/84/83/653178483.db2.gz KHAPKLSCHIHTSP-ZBFHGGJFSA-N 1 0 383.286 1.932 20 0 GDADRO Cc1c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)nnn1-c1cccc(Br)c1 ZINC000629912870 653192304 /nfs/dbraw/zinc/19/23/04/653192304.db2.gz OPVGVFNZDOLGHA-AWEZNQCLSA-N 1 0 394.273 1.135 20 0 GDADRO Cc1nc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)nn1-c1c(Cl)cccc1Cl ZINC000629914064 653193210 /nfs/dbraw/zinc/19/32/10/653193210.db2.gz RSMSRNIUQOFKTI-NSHDSACASA-N 1 0 384.267 1.679 20 0 GDADRO O[C@@H](C[NH+]1CCC(n2cc(Br)cn2)CC1)CC1(O)CCOCC1 ZINC000630039805 653198341 /nfs/dbraw/zinc/19/83/41/653198341.db2.gz VWGRNRRBVODKRJ-OAHLLOKOSA-N 1 0 388.306 1.575 20 0 GDADRO O=C(CN1CC[NH2+]CC1)NCc1cn(Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000630587060 653217534 /nfs/dbraw/zinc/21/75/34/653217534.db2.gz WFTGMCGBWLEAKH-UHFFFAOYSA-N 1 0 383.283 1.155 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)c2nccn2c1 ZINC000630948673 653227432 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C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCOc3c(Cl)cccc32)CC1 ZINC000631789562 653254065 /nfs/dbraw/zinc/25/40/65/653254065.db2.gz SCQBBHOTDUJPTH-MRXNPFEDSA-N 1 0 387.933 1.721 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCCc2nc3c(s2)CCCC3)CC1 ZINC000631876841 653262878 /nfs/dbraw/zinc/26/28/78/653262878.db2.gz PEUUKSZCCWUMDZ-UHFFFAOYSA-N 1 0 386.587 1.121 20 0 GDADRO [NH3+][C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(Br)c2)C1 ZINC000631901036 653265092 /nfs/dbraw/zinc/26/50/92/653265092.db2.gz PIGZRTHATHWRBU-SECBINFHSA-N 1 0 384.093 1.933 20 0 GDADRO COc1ccc([C@@H](C)NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1Br ZINC000631909679 653267051 /nfs/dbraw/zinc/26/70/51/653267051.db2.gz LTFRLKADOCTPBD-PWSUYJOCSA-N 1 0 393.303 1.427 20 0 GDADRO COc1ccc(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)cc1OC(F)F ZINC000631912924 653267952 /nfs/dbraw/zinc/26/79/52/653267952.db2.gz ZQJITZJPQWJIAH-UHFFFAOYSA-N 1 0 379.429 1.315 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000631912483 653267990 /nfs/dbraw/zinc/26/79/90/653267990.db2.gz MSEJUORVIVWLOT-UHFFFAOYSA-N 1 0 382.408 1.041 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1cc(F)cc(Br)c1 ZINC000631913407 653268448 /nfs/dbraw/zinc/26/84/48/653268448.db2.gz CJZUJEIEPABDRG-UHFFFAOYSA-N 1 0 380.283 1.606 20 0 GDADRO CC(C)(CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000631917682 653270013 /nfs/dbraw/zinc/27/00/13/653270013.db2.gz NYIDTZRDKDXVOM-CQSZACIVSA-N 1 0 380.432 1.891 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCc2cccc(Br)c2C1 ZINC000631920562 653271137 /nfs/dbraw/zinc/27/11/37/653271137.db2.gz BLKZWVPVEIQWFU-LBPRGKRZSA-N 1 0 375.288 1.125 20 0 GDADRO CCO[C@H](C)c1nc(CN(C)S(=O)(=O)N(C)C2CC[NH2+]CC2)cs1 ZINC000631924164 653271726 /nfs/dbraw/zinc/27/17/26/653271726.db2.gz NVXVKMRHNFDAQC-GFCCVEGCSA-N 1 0 376.548 1.601 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000631924789 653272023 /nfs/dbraw/zinc/27/20/23/653272023.db2.gz FAYFPCHXAWCIQQ-UHFFFAOYSA-N 1 0 383.848 1.960 20 0 GDADRO O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCc2c(F)cc(Br)cc2C1 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CC1(C)C[NH2+]CCN1C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000647839779 653635916 /nfs/dbraw/zinc/63/59/16/653635916.db2.gz DEFOSQOIIAZNLI-UHFFFAOYSA-N 1 0 379.404 1.194 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000648049602 653637582 /nfs/dbraw/zinc/63/75/82/653637582.db2.gz RQQCFZQAIBWERP-UHFFFAOYSA-N 1 0 384.274 1.581 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000648122285 653639358 /nfs/dbraw/zinc/63/93/58/653639358.db2.gz QLQXTQVQNGCJOW-NEPJUHHUSA-N 1 0 390.303 1.114 20 0 GDADRO CC[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC[C@H]1[NH3+] ZINC000648125882 653639585 /nfs/dbraw/zinc/63/95/85/653639585.db2.gz WDHIFQUVEQCQFP-DZGCQCFKSA-N 1 0 385.555 1.661 20 0 GDADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000648183471 653640757 /nfs/dbraw/zinc/64/07/57/653640757.db2.gz HAKXSGXEYCCEGZ-UONOGXRCSA-N 1 0 383.539 1.692 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000648188453 653640891 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0 GDADRO C[C@@H](CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)n1cc(Br)cn1 ZINC000648814271 653657306 /nfs/dbraw/zinc/65/73/06/653657306.db2.gz VTIZIAUAGPFYNH-UONOGXRCSA-N 1 0 385.306 1.777 20 0 GDADRO C[C@H](CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)n1cc(Br)cn1 ZINC000648871549 653658694 /nfs/dbraw/zinc/65/86/94/653658694.db2.gz SUQPLWOCWLAIRF-OLZOCXBDSA-N 1 0 387.322 1.900 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000648899458 653660086 /nfs/dbraw/zinc/66/00/86/653660086.db2.gz MKZQOALIPBVVCJ-CYBMUJFWSA-N 1 0 395.301 1.912 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCOCC(F)(F)C(F)(F)F ZINC000649071994 653663403 /nfs/dbraw/zinc/66/34/03/653663403.db2.gz WODIIBSRIIHHLM-JTQLQIEISA-N 1 0 375.338 1.169 20 0 GDADRO COc1ccc(Br)cc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649074804 653663701 /nfs/dbraw/zinc/66/37/01/653663701.db2.gz PVXWHRWDEHNXDS-NSHDSACASA-N 1 0 384.274 1.650 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000650145746 653684826 /nfs/dbraw/zinc/68/48/26/653684826.db2.gz PVGIPLJCHPXVJQ-MCIONIFRSA-N 1 0 387.933 1.900 20 0 GDADRO COc1ccc(Br)c(CC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000650306231 653691118 /nfs/dbraw/zinc/69/11/18/653691118.db2.gz BSGLQULJQMFAMZ-UHFFFAOYSA-N 1 0 398.301 1.233 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O ZINC000651958459 653873888 /nfs/dbraw/zinc/87/38/88/653873888.db2.gz AKZFDMZPRQETJH-UHFFFAOYSA-N 1 0 387.267 1.164 20 0 GDADRO CC[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000652262364 653886837 /nfs/dbraw/zinc/88/68/37/653886837.db2.gz UPABYGNJBIPRIO-GOEBONIOSA-N 1 0 376.906 1.830 20 0 GDADRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)C[C@H]1C[NH3+] ZINC000652636115 653894714 /nfs/dbraw/zinc/89/47/14/653894714.db2.gz WLRAPIKJQRDQPP-BXUZGUMPSA-N 1 0 384.274 1.518 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1=O ZINC000652734236 653897563 /nfs/dbraw/zinc/89/75/63/653897563.db2.gz BJZRKOLUQKODOJ-UHFFFAOYSA-N 1 0 393.285 1.776 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000653077597 653905279 /nfs/dbraw/zinc/90/52/79/653905279.db2.gz FDYMKACJAJINSF-OAHLLOKOSA-N 1 0 384.318 1.850 20 0 GDADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653080548 653905686 /nfs/dbraw/zinc/90/56/86/653905686.db2.gz LBDFYDYKFYLPSJ-ZBEGNZNMSA-N 1 0 383.242 1.073 20 0 GDADRO C[NH+](C)CC[C@@H](N)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000653167785 653907586 /nfs/dbraw/zinc/90/75/86/653907586.db2.gz CXDBVABUHMAIEG-MRXNPFEDSA-N 1 0 383.334 1.372 20 0 GDADRO CCO[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000653245793 653909139 /nfs/dbraw/zinc/90/91/39/653909139.db2.gz NGNNJPYGBIPLTJ-MISXGVKJSA-N 1 0 388.295 1.934 20 0 GDADRO CCO[C@@H]1CN(C(=O)c2cc(Br)c(OC)c(OC)c2)C[C@H]1C[NH3+] ZINC000653248371 653909254 /nfs/dbraw/zinc/90/92/54/653909254.db2.gz OUZYVWJMBYDWKL-BXUZGUMPSA-N 1 0 387.274 1.902 20 0 GDADRO C[C@@H](C(=O)N1CC[C@H]([NH3+])C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000653444821 653913443 /nfs/dbraw/zinc/91/34/43/653913443.db2.gz QAXXXOUMERCKMH-SCVCMEIPSA-N 1 0 394.269 1.772 20 0 GDADRO CC[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCCCO1 ZINC000653875109 653925049 /nfs/dbraw/zinc/92/50/49/653925049.db2.gz PVIWCHOCLSMAHU-DZGCQCFKSA-N 1 0 389.905 1.863 20 0 GDADRO O=C(Nc1nc(Sc2ccccc2)ns1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654018910 653926942 /nfs/dbraw/zinc/92/69/42/653926942.db2.gz DYCBAFIRLOIKIW-NWDGAFQWSA-N 1 0 377.495 1.972 20 0 GDADRO O=C(NCCOc1ccc(Br)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654409948 653935565 /nfs/dbraw/zinc/93/55/65/653935565.db2.gz ZMRZLUULVJJPFO-UONOGXRCSA-N 1 0 384.274 1.288 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 ZINC000654776977 653945255 /nfs/dbraw/zinc/94/52/55/653945255.db2.gz GSEFMAWZGBHCFE-GFCCVEGCSA-N 1 0 385.452 1.143 20 0 GDADRO CO[C@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccccc1Br ZINC000654783983 653945957 /nfs/dbraw/zinc/94/59/57/653945957.db2.gz OBWFRYKOJYRBLF-BBRMVZONSA-N 1 0 384.318 1.889 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000654889846 653950572 /nfs/dbraw/zinc/95/05/72/653950572.db2.gz AXNHHXQVDKEQMU-KLPPZKSPSA-N 1 0 387.889 1.138 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)s1 ZINC000655422974 653969121 /nfs/dbraw/zinc/96/91/21/653969121.db2.gz PRKJASRGNSWQIU-PBHICJAKSA-N 1 0 385.555 1.785 20 0 GDADRO [NH3+]C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)C(F)(F)F ZINC000655507269 653972442 /nfs/dbraw/zinc/97/24/42/653972442.db2.gz MYKWPXHBXFRELY-CYBMUJFWSA-N 1 0 379.404 1.481 20 0 GDADRO CN(CC(=O)N[C@@H](C[NH3+])C(F)(F)F)C(=O)c1ccc(Br)s1 ZINC000655508569 653972686 /nfs/dbraw/zinc/97/26/86/653972686.db2.gz BDXVOSXTTFWTEI-ZETCQYMHSA-N 1 0 388.209 1.588 20 0 GDADRO CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000655924165 653994100 /nfs/dbraw/zinc/99/41/00/653994100.db2.gz GXMDGSUJMWHGMW-GXSJLCMTSA-N 1 0 385.795 1.699 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(F)(F)F ZINC000655923775 653994190 /nfs/dbraw/zinc/99/41/90/653994190.db2.gz YDJXONGZUVKZSR-GHMZBOCLSA-N 1 0 382.745 1.773 20 0 GDADRO [NH3+]C[C@H](NC(=O)NC[C@@H]1CSCCN1Cc1ccccc1)C(F)(F)F ZINC000655929972 653995040 /nfs/dbraw/zinc/99/50/40/653995040.db2.gz YSNIPYWDUOMMIZ-KGLIPLIRSA-N 1 0 376.448 1.793 20 0 GDADRO NS(=O)(=O)c1cc(Br)cnc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656226369 654011697 /nfs/dbraw/zinc/01/16/97/654011697.db2.gz MHMKSGVNFZHDKG-NWDGAFQWSA-N 1 0 389.319 1.920 20 0 GDADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000656262967 654012536 /nfs/dbraw/zinc/01/25/36/654012536.db2.gz WVGKLPQWLZMTCB-GASCZTMLSA-N 1 0 389.253 1.648 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)N2CCC(OC)CC2)[C@H](C)C1 ZINC000656904741 654069361 /nfs/dbraw/zinc/06/93/61/654069361.db2.gz MRBJVUIJVZHDLY-WBVHZDCISA-N 1 0 377.551 1.069 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000656995409 654091515 /nfs/dbraw/zinc/09/15/15/654091515.db2.gz VAEIUSQYLFAWJU-SKDRFNHKSA-N 1 0 393.278 1.921 20 0 GDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000657033734 654104459 /nfs/dbraw/zinc/10/44/59/654104459.db2.gz LWUCMUAWOAZEFT-CQSZACIVSA-N 1 0 388.555 1.879 20 0 GDADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000657711975 654158107 /nfs/dbraw/zinc/15/81/07/654158107.db2.gz KRLMDZLJVOHJTI-GFCCVEGCSA-N 1 0 384.933 1.753 20 0 GDADRO COc1ncc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)c(C)c1Br ZINC000657832640 654166361 /nfs/dbraw/zinc/16/63/61/654166361.db2.gz MMCPXWJMUICTTL-UHFFFAOYSA-N 1 0 399.289 1.654 20 0 GDADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000658028511 654179287 /nfs/dbraw/zinc/17/92/87/654179287.db2.gz WIZUAOFLJJJDAF-GJZGRUSLSA-N 1 0 376.316 1.909 20 0 GDADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000658028516 654179335 /nfs/dbraw/zinc/17/93/35/654179335.db2.gz WIZUAOFLJJJDAF-LSDHHAIUSA-N 1 0 376.316 1.909 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658256101 654182931 /nfs/dbraw/zinc/18/29/31/654182931.db2.gz BZGGAXLXIXHTIG-SCZZXKLOSA-N 1 0 376.276 1.026 20 0 GDADRO CN(CC(C)(C)[NH3+])S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000658388491 654188750 /nfs/dbraw/zinc/18/87/50/654188750.db2.gz GOGRUQVXZJMCPA-HNNXBMFYSA-N 1 0 387.933 1.944 20 0 GDADRO COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000658388572 654188757 /nfs/dbraw/zinc/18/87/57/654188757.db2.gz KQFQBSHSNGNZPL-UHFFFAOYSA-N 1 0 377.894 1.408 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)s1 ZINC000658391449 654189289 /nfs/dbraw/zinc/18/92/89/654189289.db2.gz HRNPSBQCZSOQGX-ZIAGYGMSSA-N 1 0 380.495 1.526 20 0 GDADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OCC(F)(F)F)nc1 ZINC000658402836 654190425 /nfs/dbraw/zinc/19/04/25/654190425.db2.gz VJNVCYHSVJXPBR-LLVKDONJSA-N 1 0 379.404 1.976 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000658569020 654201535 /nfs/dbraw/zinc/20/15/35/654201535.db2.gz YLYFOOQINGRUCD-UHFFFAOYSA-N 1 0 389.283 1.410 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000659114067 654215602 /nfs/dbraw/zinc/21/56/02/654215602.db2.gz SBYBGLXPVHEHEZ-JTQLQIEISA-N 1 0 384.267 1.901 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000659113702 654215635 /nfs/dbraw/zinc/21/56/35/654215635.db2.gz QFQQGUXWAAITEU-LLVKDONJSA-N 1 0 394.273 1.357 20 0 GDADRO Cc1nc2n(n1)C[C@@H](NC(=O)c1sc3c(c1Br)CNC3)CC2 ZINC000659249687 654218854 /nfs/dbraw/zinc/21/88/54/654218854.db2.gz SHMBWDCEDNPDNU-QMMMGPOBSA-N 1 0 382.287 1.759 20 0 GDADRO [NH3+]CCn1cc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)nn1 ZINC000659263537 654219703 /nfs/dbraw/zinc/21/97/03/654219703.db2.gz DHDNYKGZLSNKIL-UHFFFAOYSA-N 1 0 378.742 1.113 20 0 GDADRO O=C(CNC(=O)Cn1ccc2ccc(Br)cc21)NC[C@@H]1CCC[NH2+]1 ZINC000659293548 654221067 /nfs/dbraw/zinc/22/10/67/654221067.db2.gz FLGYYMXLQSQXHK-AWEZNQCLSA-N 1 0 393.285 1.388 20 0 GDADRO [NH3+]C[C@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)C(F)(F)F ZINC000659329571 654222992 /nfs/dbraw/zinc/22/29/92/654222992.db2.gz OQOSSNWBCYFLCM-VIFPVBQESA-N 1 0 379.140 1.044 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000659646123 654231427 /nfs/dbraw/zinc/23/14/27/654231427.db2.gz LSPZBHRJALHLKK-NSHDSACASA-N 1 0 394.950 1.415 20 0 GDADRO CO[C@@H](CS(=O)(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000660158174 654242266 /nfs/dbraw/zinc/24/22/66/654242266.db2.gz VUZVBHJXYOZHKQ-MSOLQXFVSA-N 1 0 376.563 1.954 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1Cl ZINC000660156582 654242415 /nfs/dbraw/zinc/24/24/15/654242415.db2.gz LDSRPJOAAVZEQR-LBPRGKRZSA-N 1 0 377.894 1.475 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000660176472 654244782 /nfs/dbraw/zinc/24/47/82/654244782.db2.gz NAGKLUOVPYNUMM-GFCCVEGCSA-N 1 0 383.495 1.093 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000660462680 654250458 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[NH3+]C1(CC(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)CC1 ZINC000662599546 654297606 /nfs/dbraw/zinc/29/76/06/654297606.db2.gz KYCORKZATMQYPO-UHFFFAOYSA-N 1 0 396.285 1.380 20 0 GDADRO C[C@@]([NH3+])(C(=O)N1CC[C@@H](Cn2ccnn2)C1)c1ccc(Br)cc1 ZINC000662619379 654298086 /nfs/dbraw/zinc/29/80/86/654298086.db2.gz MYVCEBSBQBRERJ-WBMJQRKESA-N 1 0 378.274 1.763 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000662696446 654300419 /nfs/dbraw/zinc/30/04/19/654300419.db2.gz KDDANGHZISULDY-RCBQFDQVSA-N 1 0 382.302 1.755 20 0 GDADRO COc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)sc1S(N)(=O)=O ZINC000662837993 654304966 /nfs/dbraw/zinc/30/49/66/654304966.db2.gz BJPLJHAZOBMOHA-LBPRGKRZSA-N 1 0 387.527 1.256 20 0 GDADRO C[C@]1(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC[NH2+]C1 ZINC000663004835 654318220 /nfs/dbraw/zinc/31/82/20/654318220.db2.gz GSTRMQKGGFZBJG-INIZCTEOSA-N 1 0 380.242 1.303 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663014577 654318626 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C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000769688909 654478095 /nfs/dbraw/zinc/47/80/95/654478095.db2.gz DAZKZGFEHZFYEE-KGLIPLIRSA-N 1 0 377.551 1.939 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000732929077 654493406 /nfs/dbraw/zinc/49/34/06/654493406.db2.gz NCGQDSYBLYGTCO-CYBMUJFWSA-N 1 0 398.545 1.199 20 0 GDADRO CCN(C(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)[C@H]1CC[N@H+](C)C1 ZINC000669287605 654502210 /nfs/dbraw/zinc/50/22/10/654502210.db2.gz UPGCTYCINSKPRY-ZJUUUORDSA-N 1 0 378.420 1.892 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000669403740 654503813 /nfs/dbraw/zinc/50/38/13/654503813.db2.gz SJHSYQGZIKLPTJ-SMDDNHRTSA-N 1 0 399.289 1.535 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000669403739 654503871 /nfs/dbraw/zinc/50/38/71/654503871.db2.gz SJHSYQGZIKLPTJ-RISCZKNCSA-N 1 0 399.289 1.535 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000669403738 654503910 /nfs/dbraw/zinc/50/39/10/654503910.db2.gz SJHSYQGZIKLPTJ-FZMZJTMJSA-N 1 0 399.289 1.535 20 0 GDADRO O=C(CNC(=O)N[C@@H]1CCc2cc(Br)ccc21)N1CC[NH2+]CC1 ZINC000669408108 654504098 /nfs/dbraw/zinc/50/40/98/654504098.db2.gz NGTKEMDOBWCXTJ-CQSZACIVSA-N 1 0 381.274 1.167 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)NCC3C[NH2+]C3)C2=O)ccc1Br ZINC000669561373 654505918 /nfs/dbraw/zinc/50/59/18/654505918.db2.gz AIDOSBTYKQTBQA-OAHLLOKOSA-N 1 0 395.301 1.772 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000669570433 654505952 /nfs/dbraw/zinc/50/59/52/654505952.db2.gz PPCYFUYQPGXWHA-MGPQQGTHSA-N 1 0 385.917 1.931 20 0 GDADRO CN(CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)S(C)(=O)=O ZINC000670108599 654519134 /nfs/dbraw/zinc/51/91/34/654519134.db2.gz RQTAOQRZWFDKEG-HNNXBMFYSA-N 1 0 390.937 1.523 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000733996716 654527451 /nfs/dbraw/zinc/52/74/51/654527451.db2.gz IUHQFOGMDHGZSH-CABCVRRESA-N 1 0 375.535 1.634 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670868528 654527614 /nfs/dbraw/zinc/52/76/14/654527614.db2.gz MWYUYSXIEZTDDF-INIZCTEOSA-N 1 0 394.313 1.708 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)Cc1cc(Br)cn1C)C1CC[NH+](C)CC1 ZINC000672009707 654549190 /nfs/dbraw/zinc/54/91/90/654549190.db2.gz QZXKGMKWZQUEAK-GFCCVEGCSA-N 1 0 399.333 1.593 20 0 GDADRO CC[NH+](CC)CCOC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000772065192 654555133 /nfs/dbraw/zinc/55/51/33/654555133.db2.gz QRHNNAGWQUBOFG-UHFFFAOYSA-N 1 0 385.305 1.657 20 0 GDADRO NC(=O)C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000672773042 654564029 /nfs/dbraw/zinc/56/40/29/654564029.db2.gz CGRDEVWFSOFFBP-GWCFXTLKSA-N 1 0 380.242 1.278 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)Oc1ccccc1Br ZINC000673249568 654572313 /nfs/dbraw/zinc/57/23/13/654572313.db2.gz CLKKBCWFXSKZFA-CHWSQXEVSA-N 1 0 398.301 1.543 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000673531012 654576825 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ZINC000842005353 655355176 /nfs/dbraw/zinc/35/51/76/655355176.db2.gz SLKVEEDIDIELMN-RYUDHWBXSA-N 1 0 378.217 1.779 20 0 GDADRO O=C(NCCSCc1ccnc(Cl)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842020920 655355393 /nfs/dbraw/zinc/35/53/93/655355393.db2.gz OGGQTRWCROECOF-OKILXGFUSA-N 1 0 382.917 1.437 20 0 GDADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000842184753 655358001 /nfs/dbraw/zinc/35/80/01/655358001.db2.gz VRCXCQGKHDSTDN-OAGGEKHMSA-N 1 0 379.551 1.470 20 0 GDADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000842184675 655358010 /nfs/dbraw/zinc/35/80/10/655358010.db2.gz UVAFPAGTXROXHX-OAGGEKHMSA-N 1 0 385.599 1.911 20 0 GDADRO CS(=O)(=O)c1ccc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)s1 ZINC000817731949 655358114 /nfs/dbraw/zinc/35/81/14/655358114.db2.gz AURQGOWVPRLSRQ-JTQLQIEISA-N 1 0 382.467 1.350 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842207290 655358547 /nfs/dbraw/zinc/35/85/47/655358547.db2.gz 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ZINC000842687112 655371105 /nfs/dbraw/zinc/37/11/05/655371105.db2.gz RJUFYNFTUBHHIN-SECBINFHSA-N 1 0 393.694 1.781 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)[C@H]1CCC[NH2+]C1 ZINC000842696984 655371669 /nfs/dbraw/zinc/37/16/69/655371669.db2.gz JWBXURMQSUQWOW-MNOVXSKESA-N 1 0 382.454 1.349 20 0 GDADRO C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)[C@H]1CCC[NH2+]C1 ZINC000842696985 655371691 /nfs/dbraw/zinc/37/16/91/655371691.db2.gz JWBXURMQSUQWOW-QWRGUYRKSA-N 1 0 382.454 1.349 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000842720920 655373514 /nfs/dbraw/zinc/37/35/14/655373514.db2.gz AIAIXYSZTBBOOI-NSHDSACASA-N 1 0 375.878 1.708 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000842725986 655373839 /nfs/dbraw/zinc/37/38/39/655373839.db2.gz RFQHIBVUFMPFJX-DGCLKSJQSA-N 1 0 375.516 1.442 20 0 GDADRO CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N(C)CCC[NH3+])c1 ZINC000842729911 655374093 /nfs/dbraw/zinc/37/40/93/655374093.db2.gz WBZKNXRAUZEDQW-UHFFFAOYSA-N 1 0 393.303 1.904 20 0 GDADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842737653 655374515 /nfs/dbraw/zinc/37/45/15/655374515.db2.gz QVAQTZNXZNVPJX-UHFFFAOYSA-N 1 0 388.433 1.586 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842778146 655376489 /nfs/dbraw/zinc/37/64/89/655376489.db2.gz MABFYLAEQQJWHN-ZJUUUORDSA-N 1 0 386.417 1.528 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)ccc1Br ZINC000842789099 655377025 /nfs/dbraw/zinc/37/70/25/655377025.db2.gz PXWILMZODMREFB-LBPRGKRZSA-N 1 0 377.260 1.251 20 0 GDADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cn(-c2ccccc2Br)nn1 ZINC000818603630 655377379 /nfs/dbraw/zinc/37/73/79/655377379.db2.gz GOCMIBQPVPYNIG-AWEZNQCLSA-N 1 0 376.258 1.902 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000842793505 655377586 /nfs/dbraw/zinc/37/75/86/655377586.db2.gz LDAPNKDFGXQNGH-ONGXEEELSA-N 1 0 391.287 1.594 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC[C@@H]1[NH3+] ZINC000842797059 655377791 /nfs/dbraw/zinc/37/77/91/655377791.db2.gz DXDLVRSDTNRSIR-IUCAKERBSA-N 1 0 386.948 1.553 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c(Cl)s1 ZINC000842799289 655377854 /nfs/dbraw/zinc/37/78/54/655377854.db2.gz YWGBTTJUPPSEKW-UHFFFAOYSA-N 1 0 384.932 1.353 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)c1 ZINC000842800344 655377986 /nfs/dbraw/zinc/37/79/86/655377986.db2.gz UDZWQSOVDLELKS-XYPYZODXSA-N 1 0 395.934 1.139 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)s1 ZINC000842802757 655378145 /nfs/dbraw/zinc/37/81/45/655378145.db2.gz BZHVHQVDMILSPF-LRDDRELGSA-N 1 0 389.543 1.833 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)OC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000842828296 655380012 /nfs/dbraw/zinc/38/00/12/655380012.db2.gz AWEFAYDOOFKVTF-LSDHHAIUSA-N 1 0 380.576 1.711 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000842829888 655380203 /nfs/dbraw/zinc/38/02/03/655380203.db2.gz IJBMNTRGJIULLD-ZJUUUORDSA-N 1 0 386.417 1.256 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000842834304 655380354 /nfs/dbraw/zinc/38/03/54/655380354.db2.gz QVOVMDBEWAOUNX-BXKDBHETSA-N 1 0 391.287 1.512 20 0 GDADRO Cc1ccc(/C=C/S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000842851239 655380964 /nfs/dbraw/zinc/38/09/64/655380964.db2.gz DGWYGKBOBCSTMM-KDHUCADRSA-N 1 0 377.432 1.721 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)ccc1F ZINC000842859127 655381232 /nfs/dbraw/zinc/38/12/32/655381232.db2.gz DDCCBQYEKSKMGD-UHFFFAOYSA-N 1 0 392.518 1.759 20 0 GDADRO COC[C@]1(CNS(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CCC[NH2+]1 ZINC000842858389 655381307 /nfs/dbraw/zinc/38/13/07/655381307.db2.gz BPKYMVWKHWACRJ-CQSZACIVSA-N 1 0 396.918 1.543 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000818946033 655381992 /nfs/dbraw/zinc/38/19/92/655381992.db2.gz CHCRMCVNHJRKOH-HNNXBMFYSA-N 1 0 391.331 1.886 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1Cl ZINC000842877285 655381982 /nfs/dbraw/zinc/38/19/82/655381982.db2.gz XNARWCOIQTVDKX-GWCFXTLKSA-N 1 0 378.903 1.116 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818948315 655382195 /nfs/dbraw/zinc/38/21/95/655382195.db2.gz PHLKBLZKLSAREM-AWEZNQCLSA-N 1 0 395.294 1.635 20 0 GDADRO CS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000818990323 655382861 /nfs/dbraw/zinc/38/28/61/655382861.db2.gz HMPOGMKFAGDMMS-OAHLLOKOSA-N 1 0 391.331 1.744 20 0 GDADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000842890705 655382986 /nfs/dbraw/zinc/38/29/86/655382986.db2.gz JWCFAOAQDNKNDY-MFKMUULPSA-N 1 0 380.297 1.905 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)ccc1Br ZINC000842891836 655383264 /nfs/dbraw/zinc/38/32/64/655383264.db2.gz BMEBUFLTPOKGEI-UHFFFAOYSA-N 1 0 391.287 1.738 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CC12CCOCC2 ZINC000842896696 655383478 /nfs/dbraw/zinc/38/34/78/655383478.db2.gz XYPUDKROVYLUNH-JTQLQIEISA-N 1 0 390.918 1.425 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]CCc2ccc(Br)cc2F)CC1 ZINC000819040606 655383527 /nfs/dbraw/zinc/38/35/27/655383527.db2.gz OIRPCSHPRYTNOD-UHFFFAOYSA-N 1 0 380.279 1.660 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c(F)cc1Br ZINC000842913481 655383906 /nfs/dbraw/zinc/38/39/06/655383906.db2.gz HSOPXMMOXJCDFT-JGVFFNPUSA-N 1 0 397.266 1.779 20 0 GDADRO CN(C)C(=O)CN1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000819045741 655383861 /nfs/dbraw/zinc/38/38/61/655383861.db2.gz IDYMVVRKRBOUBQ-INIZCTEOSA-N 1 0 384.318 1.625 20 0 GDADRO CN1CCN(C(=O)CC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819062810 655384412 /nfs/dbraw/zinc/38/44/12/655384412.db2.gz TXKYITZOYIZGIL-OAHLLOKOSA-N 1 0 388.281 1.375 20 0 GDADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1 ZINC000819156207 655387137 /nfs/dbraw/zinc/38/71/37/655387137.db2.gz QINTVYJTVSBZNO-CQSZACIVSA-N 1 0 383.388 1.177 20 0 GDADRO COC[C@H](C)OC[C@H](O)C[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000843084010 655388090 /nfs/dbraw/zinc/38/80/90/655388090.db2.gz UNJRIMIUZQPEST-LNSITVRQSA-N 1 0 375.849 1.147 20 0 GDADRO CCS(=O)(=O)CC[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000819201930 655388200 /nfs/dbraw/zinc/38/82/00/655388200.db2.gz YNCAMAJWDXNXIW-UHFFFAOYSA-N 1 0 389.417 1.383 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccccn1)c1cccc(Br)c1 ZINC000843095711 655388302 /nfs/dbraw/zinc/38/83/02/655388302.db2.gz PMUXKXRVLGKVKJ-HNNXBMFYSA-N 1 0 385.283 1.941 20 0 GDADRO C[C@@](O)(C[NH2+]C[C@H]1CC(C(N)=O)=NO1)c1ccc(Br)cc1Cl ZINC000819253397 655388694 /nfs/dbraw/zinc/38/86/94/655388694.db2.gz OGWGRGXJORSJPR-YMTOWFKASA-N 1 0 390.665 1.530 20 0 GDADRO CCS(=O)(=O)CC[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000843117286 655388951 /nfs/dbraw/zinc/38/89/51/655388951.db2.gz OEQNTFGTHVZFOY-GFCCVEGCSA-N 1 0 382.295 1.764 20 0 GDADRO CCS(=O)(=O)CC[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000843117246 655388964 /nfs/dbraw/zinc/38/89/64/655388964.db2.gz NUILLXUWZOFNHS-LBPRGKRZSA-N 1 0 394.331 1.633 20 0 GDADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)s1 ZINC000819273672 655389023 /nfs/dbraw/zinc/38/90/23/655389023.db2.gz DZNFBIDFNOELJC-GFCCVEGCSA-N 1 0 392.543 1.859 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000819310260 655389530 /nfs/dbraw/zinc/38/95/30/655389530.db2.gz UOQHKXVWQUHYRO-OAHLLOKOSA-N 1 0 387.864 1.784 20 0 GDADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCCn1cc(Br)cn1 ZINC000819314793 655389738 /nfs/dbraw/zinc/38/97/38/655389738.db2.gz LAYDJSQSFISFOV-OAHLLOKOSA-N 1 0 391.310 1.901 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819310480 655389763 /nfs/dbraw/zinc/38/97/63/655389763.db2.gz AZJPLLYNCSBBPX-IUODEOHRSA-N 1 0 396.340 1.887 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(Br)cc1)C1CCOCC1 ZINC000819347869 655390207 /nfs/dbraw/zinc/39/02/07/655390207.db2.gz AOHBMIYBUCJSQG-OAHLLOKOSA-N 1 0 392.315 1.666 20 0 GDADRO CCOC(=O)COCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819345129 655390258 /nfs/dbraw/zinc/39/02/58/655390258.db2.gz WHTSUQNCIIMGHC-OAHLLOKOSA-N 1 0 378.238 1.965 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000819348398 655390390 /nfs/dbraw/zinc/39/03/90/655390390.db2.gz DGXIVLHFOLKTDL-OAHLLOKOSA-N 1 0 381.416 1.922 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)COc1cccc(Br)c1)C1CC1 ZINC000819370492 655390659 /nfs/dbraw/zinc/39/06/59/655390659.db2.gz TWRIQACILBAFDJ-GFCCVEGCSA-N 1 0 378.288 1.356 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C[C@H](C)[NH2+]1 ZINC000843343685 655393100 /nfs/dbraw/zinc/39/31/00/655393100.db2.gz CXQXCKVKSIRPRJ-QWRGUYRKSA-N 1 0 380.495 1.121 20 0 GDADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843347886 655393362 /nfs/dbraw/zinc/39/33/62/655393362.db2.gz XOXCXZRPYWKENP-WBMJQRKESA-N 1 0 390.937 1.672 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843358049 655393611 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1.522 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F ZINC000843475346 655396130 /nfs/dbraw/zinc/39/61/30/655396130.db2.gz NGYKFPZDVITNBR-RYUDHWBXSA-N 1 0 375.441 1.284 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)NS(=O)(=O)c1cccnc1Cl ZINC000843480674 655396445 /nfs/dbraw/zinc/39/64/45/655396445.db2.gz XQLYLWQMGJYAPT-RTWAVKEYSA-N 1 0 388.921 1.295 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)ccc1Cl ZINC000843482651 655396462 /nfs/dbraw/zinc/39/64/62/655396462.db2.gz BZYNZWTVEHHCNA-LBPRGKRZSA-N 1 0 397.831 1.249 20 0 GDADRO [NH3+]CCCCCCNC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000843509735 655397293 /nfs/dbraw/zinc/39/72/93/655397293.db2.gz DWLIWRIFDJTKQO-UHFFFAOYSA-N 1 0 398.348 1.424 20 0 GDADRO [NH3+]CCCCCCNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000843510743 655397307 /nfs/dbraw/zinc/39/73/07/655397307.db2.gz UTQKZSFMMOSMNW-UHFFFAOYSA-N 1 0 391.331 1.999 20 0 GDADRO C[NH+]1CCC(OCC(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)CC1 ZINC000820323237 655408142 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Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)n1 ZINC000850821656 655568775 /nfs/dbraw/zinc/56/87/75/655568775.db2.gz PZDJFENYWPJSNW-UHFFFAOYSA-N 1 0 382.877 1.333 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)n1 ZINC000850825610 655569133 /nfs/dbraw/zinc/56/91/33/655569133.db2.gz YSPPLGNCEPMCTQ-ZCFIWIBFSA-N 1 0 392.819 1.234 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c2cc(Br)ccc21 ZINC000850825564 655569135 /nfs/dbraw/zinc/56/91/35/655569135.db2.gz XWXGELFKUAOLJO-ABAIWWIYSA-N 1 0 392.297 1.894 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NCC2([NH3+])CCCC2)n1 ZINC000850841501 655569749 /nfs/dbraw/zinc/56/97/49/655569749.db2.gz CLYFASPGSIIKGW-UHFFFAOYSA-N 1 0 382.877 1.523 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000850865340 655570546 /nfs/dbraw/zinc/57/05/46/655570546.db2.gz XXIQJOSTEJCFHX-ZCFIWIBFSA-N 1 0 394.067 1.269 20 0 GDADRO COC[C@]1(CNC(=O)[C@]2(C)CC2(Br)Br)CCC[NH2+]1 ZINC000851636285 655589588 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C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c3nonc32)CCO1 ZINC000851884023 655602193 /nfs/dbraw/zinc/60/21/93/655602193.db2.gz LZTJTSOJIIVWST-NSHDSACASA-N 1 0 388.877 1.608 20 0 GDADRO C[N@H+](C[C@](O)(C(N)=O)c1ccccc1)[C@@H](CO)c1cccc(Br)c1 ZINC000851884891 655602405 /nfs/dbraw/zinc/60/24/05/655602405.db2.gz HBWMSADXGQAFHE-FUHWJXTLSA-N 1 0 393.281 1.787 20 0 GDADRO COCC[NH+](CCOC)C1CCN(CCn2cnc(Br)n2)CC1 ZINC000852043509 655606616 /nfs/dbraw/zinc/60/66/16/655606616.db2.gz BULGIWGAVROEGM-UHFFFAOYSA-N 1 0 390.326 1.100 20 0 GDADRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000852434511 655614147 /nfs/dbraw/zinc/61/41/47/655614147.db2.gz OJKQYFLZUHQONR-KBPBESRZSA-N 1 0 385.258 1.715 20 0 GDADRO C[C@H](C[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)CS(C)(=O)=O ZINC000852455215 655614595 /nfs/dbraw/zinc/61/45/95/655614595.db2.gz SOCJHRATMMKGPU-DGCLKSJQSA-N 1 0 378.416 1.777 20 0 GDADRO CS(=O)(=O)CCC[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852600646 655618327 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Cn1cc([C@@H]2CN(C(=O)c3c(Cl)nc4cc(Cl)ccn43)C[C@H]2[NH3+])cn1 ZINC000852835215 655623883 /nfs/dbraw/zinc/62/38/83/655623883.db2.gz DNNYUGNPNLYSSI-NWDGAFQWSA-N 1 0 379.251 1.942 20 0 GDADRO CS(=O)(=O)c1ccc(Br)c(C(=O)NCC2([NH3+])CCCC2)c1 ZINC000852851307 655624104 /nfs/dbraw/zinc/62/41/04/655624104.db2.gz BWUVJARBFNVLGK-UHFFFAOYSA-N 1 0 375.288 1.854 20 0 GDADRO [NH3+][C@H](CNC(=O)c1cnn(-c2ccccc2)c1I)C1CC1 ZINC000852874091 655624751 /nfs/dbraw/zinc/62/47/51/655624751.db2.gz KLNRSCDOAMYKMM-CYBMUJFWSA-N 1 0 396.232 1.944 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000852920068 655628254 /nfs/dbraw/zinc/62/82/54/655628254.db2.gz JTMPLYAJJCZIKO-VIFPVBQESA-N 1 0 378.292 1.037 20 0 GDADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000853081854 655632296 /nfs/dbraw/zinc/63/22/96/655632296.db2.gz XKTVKVIHKWEJDD-JTQLQIEISA-N 1 0 394.824 1.254 20 0 GDADRO C[NH+](C)CCC[C@H]1CN(Cn2nnn(Cc3cccs3)c2=S)CCO1 ZINC000853623420 655645605 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CC(C)(C)n1ncc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1Br ZINC000854690032 655674085 /nfs/dbraw/zinc/67/40/85/655674085.db2.gz OBQUWZCHFHGRNB-GFCCVEGCSA-N 1 0 387.322 1.977 20 0 GDADRO CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CC(C[NH+](C)C)C2)c1 ZINC000854723997 655675172 /nfs/dbraw/zinc/67/51/72/655675172.db2.gz IZSWLEKNSUFPAP-UHFFFAOYSA-N 1 0 389.315 1.876 20 0 GDADRO Cn1ncc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1I ZINC000854735336 655675427 /nfs/dbraw/zinc/67/54/27/655675427.db2.gz NQYLSSWFMQZEEX-AWEZNQCLSA-N 1 0 388.253 1.583 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1nc(F)ccc1Br ZINC000855346437 655692460 /nfs/dbraw/zinc/69/24/60/655692460.db2.gz CDTRQTOVKMSIHM-NSHDSACASA-N 1 0 375.286 1.985 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000855417028 655693744 /nfs/dbraw/zinc/69/37/44/655693744.db2.gz VCQLDYOIUXGUCQ-UHFFFAOYSA-N 1 0 375.922 1.357 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnc(F)c(Br)c1 ZINC000855697870 655699767 /nfs/dbraw/zinc/69/97/67/655699767.db2.gz 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CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC([C@H](O)c2ccnn2C)CC1 ZINC000856797726 655719309 /nfs/dbraw/zinc/71/93/09/655719309.db2.gz KWWYALNLWNUOQT-CVEARBPZSA-N 1 0 375.406 1.750 20 0 GDADRO O=C(NCC[C@H]1CC1(Cl)Cl)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000857098136 655727657 /nfs/dbraw/zinc/72/76/57/655727657.db2.gz DRIWJPIJXXOJSJ-GXTWGEPZSA-N 1 0 386.279 1.986 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2c(Br)nc3n2CCOC3)CCSC1 ZINC000857146395 655728994 /nfs/dbraw/zinc/72/89/94/655728994.db2.gz PLHBEDOUKGXFQS-AWEZNQCLSA-N 1 0 389.319 1.343 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c(Br)o1 ZINC000857236501 655731656 /nfs/dbraw/zinc/73/16/56/655731656.db2.gz ZTNXZAVXRQIVOU-OQPBUACISA-N 1 0 393.259 1.331 20 0 GDADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000858526580 655749008 /nfs/dbraw/zinc/74/90/08/655749008.db2.gz FPEGQZFOPSLGPV-RRFJBIMHSA-N 1 0 376.519 1.568 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000858606605 655749958 /nfs/dbraw/zinc/74/99/58/655749958.db2.gz FUVHSDUAXPZWBX-WDEREUQCSA-N 1 0 379.404 1.854 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc3c2COC3=O)CC[C@@H]1C(F)(F)F ZINC000858623227 655751002 /nfs/dbraw/zinc/75/10/02/655751002.db2.gz GEJFEYRDDDABRS-SKDRFNHKSA-N 1 0 378.372 1.505 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)nc1F ZINC000858985628 655758149 /nfs/dbraw/zinc/75/81/49/655758149.db2.gz JWVFJLKPJCMUJI-JTQLQIEISA-N 1 0 380.283 1.946 20 0 GDADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000859045933 655760252 /nfs/dbraw/zinc/76/02/52/655760252.db2.gz FKGSBNXBVLYROW-LLVKDONJSA-N 1 0 379.404 1.808 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1Cl ZINC000859120930 655764626 /nfs/dbraw/zinc/76/46/26/655764626.db2.gz MMZBTIDSBCJCRY-UHFFFAOYSA-N 1 0 390.893 1.044 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(Br)cc(C=O)c1 ZINC000859321001 655775829 /nfs/dbraw/zinc/77/58/29/655775829.db2.gz RTPLVVDECYRMMR-UHFFFAOYSA-N 1 0 382.302 1.971 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(Br)cnc2F)CC1 ZINC000859361927 655778605 /nfs/dbraw/zinc/77/86/05/655778605.db2.gz TXSHEFMTJDUIGK-LBPRGKRZSA-N 1 0 387.297 1.987 20 0 GDADRO C[NH+](C)CCCN(C(=O)[C@@H]1C[C@]1(C)Br)[C@H]1CCS(=O)(=O)C1 ZINC000859940235 655791856 /nfs/dbraw/zinc/79/18/56/655791856.db2.gz BEFQGDSRQMSESK-OBJOEFQTSA-N 1 0 381.336 1.127 20 0 GDADRO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861512615 655824187 /nfs/dbraw/zinc/82/41/87/655824187.db2.gz NJCNOSMBOQZMHQ-JTQLQIEISA-N 1 0 387.665 1.837 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000861517608 655824287 /nfs/dbraw/zinc/82/42/87/655824287.db2.gz NVHPUAFNHQUVJW-UHFFFAOYSA-N 1 0 393.669 1.130 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000861517427 655824296 /nfs/dbraw/zinc/82/42/96/655824296.db2.gz KXRDFIKMATYTSH-UHFFFAOYSA-N 1 0 379.404 1.931 20 0 GDADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713574 655828892 /nfs/dbraw/zinc/82/88/92/655828892.db2.gz CZFCPIQHPMSFEN-STQMWFEESA-N 1 0 377.794 1.964 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000861734504 655829513 /nfs/dbraw/zinc/82/95/13/655829513.db2.gz HXNGOGLLFFHDBZ-LBPRGKRZSA-N 1 0 382.302 1.793 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000861740268 655829650 /nfs/dbraw/zinc/82/96/50/655829650.db2.gz OVTJSECYBSSKFY-QWHCGFSZSA-N 1 0 397.317 1.197 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000862030920 655836959 /nfs/dbraw/zinc/83/69/59/655836959.db2.gz AYFQFRFULUKNOQ-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO CC(C)(C)OC(=O)N1[C@H](C[NH2+]C2CC(NS(C)(=O)=O)C2)COC1(C)C ZINC000862355069 655844910 /nfs/dbraw/zinc/84/49/10/655844910.db2.gz JOTNFFXMAFAIJK-WXRRBKDZSA-N 1 0 377.507 1.028 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000862402122 655845919 /nfs/dbraw/zinc/84/59/19/655845919.db2.gz ZKRCLFQOGNTICE-VXGBXAGGSA-N 1 0 383.461 1.255 20 0 GDADRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862408421 655845951 /nfs/dbraw/zinc/84/59/51/655845951.db2.gz BWAIBKGQCQPGON-PAUBXPFVSA-N 1 0 388.452 1.911 20 0 GDADRO COc1cc([C@H](C)NCC2([NH3+])CCOCC2)ccc1S(=O)(=O)C(F)F ZINC000863542196 655875202 /nfs/dbraw/zinc/87/52/02/655875202.db2.gz TUOXIOCZNPEKLK-NSHDSACASA-N 1 0 378.441 1.850 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000863750580 655879736 /nfs/dbraw/zinc/87/97/36/655879736.db2.gz RAQALRZMQNMFKB-SMDDNHRTSA-N 1 0 384.274 1.155 20 0 GDADRO CC(C)C[NH+]1CCN(C(=O)c2cc(I)nn2C)CC1 ZINC000864611469 655903250 /nfs/dbraw/zinc/90/32/50/655903250.db2.gz GWGHFCJNQFUYCO-UHFFFAOYSA-N 1 0 376.242 1.439 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(I)nn2C)C1 ZINC000864879988 655907724 /nfs/dbraw/zinc/90/77/24/655907724.db2.gz PVGIBTZAKOWXCL-SNVBAGLBSA-N 1 0 376.242 1.486 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000864970908 655909323 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377.507 1.801 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)C1 ZINC000866893599 655974687 /nfs/dbraw/zinc/97/46/87/655974687.db2.gz RTVLWSGQMXGHTK-ZLOXQWCVSA-N 1 0 377.507 1.801 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nn1cc(Br)cn1 ZINC000866901101 655975219 /nfs/dbraw/zinc/97/52/19/655975219.db2.gz UYHYVTBWKGAOEU-JTQLQIEISA-N 1 0 376.255 1.171 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1Br ZINC000866902984 655975466 /nfs/dbraw/zinc/97/54/66/655975466.db2.gz HTKSYWXAWKQQSY-GFCCVEGCSA-N 1 0 391.335 1.535 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccncc1Br ZINC000866953452 655981169 /nfs/dbraw/zinc/98/11/69/655981169.db2.gz KRRLACOYRRJYER-LBPRGKRZSA-N 1 0 387.278 1.659 20 0 GDADRO COc1ccc(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000866973995 655983471 /nfs/dbraw/zinc/98/34/71/655983471.db2.gz DLXGGDYZXXNYOO-UHFFFAOYSA-N 1 0 375.922 1.406 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)C1 ZINC000866986086 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COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000867583398 656088431 /nfs/dbraw/zinc/08/84/31/656088431.db2.gz ZYJZRKATZMJIAA-UHFFFAOYSA-N 1 0 375.922 1.855 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)N=[S@](C)(=O)c3ccccc3F)CC[C@H]21 ZINC000867807488 656119429 /nfs/dbraw/zinc/11/94/29/656119429.db2.gz DRENOKFAGPFNSU-WOZUBWMWSA-N 1 0 375.491 1.553 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ncsc3Br)CC[C@H]21 ZINC000867811118 656120158 /nfs/dbraw/zinc/12/01/58/656120158.db2.gz NXPHBJXVDUMLNT-MWLCHTKSSA-N 1 0 380.333 1.761 20 0 GDADRO COCC1(CNC(=O)c2cc(Br)cn3ccnc23)CC[NH2+]CC1 ZINC000867971519 656136375 /nfs/dbraw/zinc/13/63/75/656136375.db2.gz QWTVQJVPOVMNOS-UHFFFAOYSA-N 1 0 381.274 1.843 20 0 GDADRO C[C@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)C1CC[NH2+]CC1 ZINC000868015148 656137487 /nfs/dbraw/zinc/13/74/87/656137487.db2.gz NOBDPEMDMJWOFN-JTQLQIEISA-N 1 0 379.262 1.543 20 0 GDADRO Cn1ncc(I)c1CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000868051330 656138584 /nfs/dbraw/zinc/13/85/84/656138584.db2.gz 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O=C(c1ccc(F)cc1Br)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871001499 656259952 /nfs/dbraw/zinc/25/99/52/656259952.db2.gz APKAHFWMSKMSMG-HONMWMINSA-N 1 0 398.232 1.595 20 0 GDADRO COC[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000871008892 656260338 /nfs/dbraw/zinc/26/03/38/656260338.db2.gz NTXWCMBOCVLRTC-LSDHHAIUSA-N 1 0 398.301 1.511 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC000871804607 656279960 /nfs/dbraw/zinc/27/99/60/656279960.db2.gz KPQLRVNXIRUYPV-JTQLQIEISA-N 1 0 379.404 1.239 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000871812322 656281525 /nfs/dbraw/zinc/28/15/25/656281525.db2.gz BYOLCMYVEVJCPJ-OCCSQVGLSA-N 1 0 379.404 1.080 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000871814379 656282830 /nfs/dbraw/zinc/28/28/30/656282830.db2.gz SYGBGDVYYKIVCP-SKDRFNHKSA-N 1 0 384.351 1.370 20 0 GDADRO COC(=O)c1c(F)cccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 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656381984 /nfs/dbraw/zinc/38/19/84/656381984.db2.gz HKCRVBIMOJGNPR-AAEUAGOBSA-N 1 0 382.917 1.888 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000873104785 656386395 /nfs/dbraw/zinc/38/63/95/656386395.db2.gz PWHOUCCEFKFFOL-IUCAKERBSA-N 1 0 394.191 1.983 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000873103063 656386398 /nfs/dbraw/zinc/38/63/98/656386398.db2.gz CDPGFKOMBVQZKB-KWQFWETISA-N 1 0 394.191 1.983 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@H]1C(F)(F)F ZINC000873108197 656386792 /nfs/dbraw/zinc/38/67/92/656386792.db2.gz VKDIXLLGGSHRJA-GMSGAONNSA-N 1 0 395.179 1.378 20 0 GDADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCOC(F)(F)C(F)(F)F ZINC000873158302 656388585 /nfs/dbraw/zinc/38/85/85/656388585.db2.gz DWKWJXBNIWLHHF-JTQLQIEISA-N 1 0 377.354 1.645 20 0 GDADRO Cn1ncc(I)c1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000873275042 656390239 /nfs/dbraw/zinc/39/02/39/656390239.db2.gz BOQISSYJYNTSAT-KGYLQXTDSA-N 1 0 390.269 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ZINC000873720784 656406832 /nfs/dbraw/zinc/40/68/32/656406832.db2.gz RZHIASJPFLLRCO-LLVKDONJSA-N 1 0 382.258 1.658 20 0 GDADRO CC(=O)c1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000873727298 656408464 /nfs/dbraw/zinc/40/84/64/656408464.db2.gz UTGORUQTSLXWHW-LBPRGKRZSA-N 1 0 394.269 1.943 20 0 GDADRO C[NH+]1CCC(n2cc(NC(=O)C(=O)NC[C@H]3CSCCS3)cn2)CC1 ZINC000873768461 656412964 /nfs/dbraw/zinc/41/29/64/656412964.db2.gz AADBXBBBDGSDIP-AWEZNQCLSA-N 1 0 383.543 1.053 20 0 GDADRO C[NH+]1CCN(c2ccc(CNC(=O)c3csc(Br)n3)cn2)CC1 ZINC000873901889 656427444 /nfs/dbraw/zinc/42/74/44/656427444.db2.gz IGNUPHBWDWEEAM-UHFFFAOYSA-N 1 0 396.314 1.982 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2c3c(nn2C)CCOC3)c(C)s1 ZINC000921916482 656427702 /nfs/dbraw/zinc/42/77/02/656427702.db2.gz QFRXDWZZROXXGA-UHFFFAOYSA-N 1 0 384.527 1.239 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873922634 656429478 /nfs/dbraw/zinc/42/94/78/656429478.db2.gz KTOFAYNVDHQNSE-NSHDSACASA-N 1 0 396.285 1.875 20 0 GDADRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1nc(Br)c[nH]1)CC2 ZINC000922044203 656446184 /nfs/dbraw/zinc/44/61/84/656446184.db2.gz SDKGQDKAFGMLJQ-LLVKDONJSA-N 1 0 395.305 1.859 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(Br)n1 ZINC000874171041 656447573 /nfs/dbraw/zinc/44/75/73/656447573.db2.gz ASLRHFVQJLVLRT-WCQYABFASA-N 1 0 381.274 1.644 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(Br)c1 ZINC000874172391 656447851 /nfs/dbraw/zinc/44/78/51/656447851.db2.gz YNCLXBLYQLRGRX-NHYWBVRUSA-N 1 0 396.285 1.949 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000874173116 656447955 /nfs/dbraw/zinc/44/79/55/656447955.db2.gz FRHZTUPUMRNISP-FZMZJTMJSA-N 1 0 381.274 1.644 20 0 GDADRO C[N@H+](CCNC(=O)C(C)(C)c1ccccc1Br)CCOCCO ZINC000922115453 656457424 /nfs/dbraw/zinc/45/74/24/656457424.db2.gz CECBJMWQNZNTIF-UHFFFAOYSA-N 1 0 387.318 1.784 20 0 GDADRO Cc1ccc(F)c(C(=O)NCC[N@@H+](C)CCOCCO)c1Br ZINC000922115818 656457449 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1.625 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccc1Cl ZINC000877286352 656664003 /nfs/dbraw/zinc/66/40/03/656664003.db2.gz CVGRUZHKROIPJR-ZIAGYGMSSA-N 1 0 387.889 1.488 20 0 GDADRO O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877297313 656665602 /nfs/dbraw/zinc/66/56/02/656665602.db2.gz QTVCGBGTPRFIJE-YQFWSFKMSA-N 1 0 382.913 1.536 20 0 GDADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cnn2cc(Br)cnc12 ZINC000877328851 656667293 /nfs/dbraw/zinc/66/72/93/656667293.db2.gz LUBKOFBOYVBTGP-GFCCVEGCSA-N 1 0 394.273 1.380 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877342268 656668399 /nfs/dbraw/zinc/66/83/99/656668399.db2.gz LCTMKKFVHSZJOY-CQSZACIVSA-N 1 0 379.507 1.443 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924720358 656671542 /nfs/dbraw/zinc/67/15/42/656671542.db2.gz HZSQZPWKJHFQIR-CQSZACIVSA-N 1 0 388.555 1.381 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cc1ccc(S(=O)(=O)N3CCCC3)s1)C2 ZINC000877378531 656672217 /nfs/dbraw/zinc/67/22/17/656672217.db2.gz NKCVYAWJTFOIGZ-SUMWQHHRSA-N 1 0 383.539 1.143 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877388039 656672678 /nfs/dbraw/zinc/67/26/78/656672678.db2.gz UWVYRQDDFZOSTJ-HIFRSBDPSA-N 1 0 392.308 1.673 20 0 GDADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cc2c(cc1Br)NC(=O)CO2 ZINC000877390284 656672708 /nfs/dbraw/zinc/67/27/08/656672708.db2.gz RUGQNQNDTRDREV-CZUORRHYSA-N 1 0 380.242 1.794 20 0 GDADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1cccn2c(I)cnc12 ZINC000877393526 656672834 /nfs/dbraw/zinc/67/28/34/656672834.db2.gz ZJAMSRIHWBMXRM-ABAIWWIYSA-N 1 0 396.232 1.953 20 0 GDADRO Cc1cc(Br)cn2cc(CCN3C(=O)N[C@@H](C[NH+](C)C)C3=O)nc12 ZINC000924757051 656673213 /nfs/dbraw/zinc/67/32/13/656673213.db2.gz QAIGCDJQUAKPMZ-ZDUSSCGKSA-N 1 0 394.273 1.430 20 0 GDADRO C[NH+](C)C[C@H]1NC(=O)N([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1=O ZINC000924762243 656673245 /nfs/dbraw/zinc/67/32/45/656673245.db2.gz JLHYRPNHMXVTLN-CHWSQXEVSA-N 1 0 385.251 1.581 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877403353 656673719 /nfs/dbraw/zinc/67/37/19/656673719.db2.gz PGNZYYZHZQJUNE-ZIAGYGMSSA-N 1 0 385.555 1.844 20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877400899 656673759 /nfs/dbraw/zinc/67/37/59/656673759.db2.gz XEZPSEWJZNEUGJ-WMLDXEAASA-N 1 0 383.539 1.476 20 0 GDADRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000877514938 656678148 /nfs/dbraw/zinc/67/81/48/656678148.db2.gz RCVSIKLAXVWFSX-AWEZNQCLSA-N 1 0 377.551 1.893 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924839831 656681534 /nfs/dbraw/zinc/68/15/34/656681534.db2.gz QFDCNPVULNITES-GFCCVEGCSA-N 1 0 383.246 1.178 20 0 GDADRO COC(=O)c1ccc(C[NH2+]C[C@]2(OCCO)CCOC2)cc1Br ZINC000877624023 656683835 /nfs/dbraw/zinc/68/38/35/656683835.db2.gz HBZKEBGQJKUZSI-MRXNPFEDSA-N 1 0 388.258 1.493 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1Br ZINC000877652425 656685692 /nfs/dbraw/zinc/68/56/92/656685692.db2.gz VIDLLGYLNMNJBF-HNNXBMFYSA-N 1 0 398.301 1.665 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)C[C@H]2CCC(=O)N2)s1 ZINC000924947980 656687947 /nfs/dbraw/zinc/68/79/47/656687947.db2.gz TWEQBWKHYKXPHD-ZIAGYGMSSA-N 1 0 387.571 1.968 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000925335023 656705756 /nfs/dbraw/zinc/70/57/56/656705756.db2.gz QCWFVKMEFJUBRU-INWMFGNUSA-N 1 0 384.318 1.992 20 0 GDADRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000925427283 656711448 /nfs/dbraw/zinc/71/14/48/656711448.db2.gz ZMIPMNHXHQOVOI-UONOGXRCSA-N 1 0 381.274 1.336 20 0 GDADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000925433566 656711998 /nfs/dbraw/zinc/71/19/98/656711998.db2.gz YTCXPKCBSKSEHT-NHYWBVRUSA-N 1 0 386.290 1.837 20 0 GDADRO C[N@@H+]1CC[C@H]1CNC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000925433010 656712073 /nfs/dbraw/zinc/71/20/73/656712073.db2.gz VPMMMBYHKJAJQS-OLZOCXBDSA-N 1 0 388.281 1.743 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1(C)C ZINC000925615867 656715214 /nfs/dbraw/zinc/71/52/14/656715214.db2.gz PIYHTOVGCSJNIO-ZIAGYGMSSA-N 1 0 375.535 1.788 20 0 GDADRO C[C@H](CNC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)[NH+]1CCCCC1 ZINC000878353368 656721085 /nfs/dbraw/zinc/72/10/85/656721085.db2.gz XELPXQQRLPMWLE-ZIAGYGMSSA-N 1 0 385.555 1.578 20 0 GDADRO COC[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000925800710 656722177 /nfs/dbraw/zinc/72/21/77/656722177.db2.gz WKJSUDBTZUGQNZ-HUUCEWRRSA-N 1 0 380.432 1.759 20 0 GDADRO CCOC(=O)Cc1csc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)n1 ZINC000925899996 656725217 /nfs/dbraw/zinc/72/52/17/656725217.db2.gz OHOAYFVTGPCQIV-ZJUUUORDSA-N 1 0 380.392 1.992 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1=O ZINC000926057980 656732516 /nfs/dbraw/zinc/73/25/16/656732516.db2.gz DUCJUUBSADKRBJ-GFCCVEGCSA-N 1 0 399.289 1.510 20 0 GDADRO O=C(NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)Nc1ccc(Br)nc1 ZINC000926069931 656733542 /nfs/dbraw/zinc/73/35/42/656733542.db2.gz VKPMOMQPEQRQQY-NSHDSACASA-N 1 0 383.246 1.651 20 0 GDADRO [NH3+][C@H]1CN(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC[C@@H]1C(F)(F)F ZINC000926070768 656733609 /nfs/dbraw/zinc/73/36/09/656733609.db2.gz GCHGNTRAAHGLAZ-RYUDHWBXSA-N 1 0 377.388 1.760 20 0 GDADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC(=O)N=[S@](C)(=O)N(C)C)C2)s1 ZINC000878573572 656734421 /nfs/dbraw/zinc/73/44/21/656734421.db2.gz LMQDZDADSKODHO-MQNRADLISA-N 1 0 386.587 1.911 20 0 GDADRO Cc1nccc(NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1Br ZINC000926095536 656735318 /nfs/dbraw/zinc/73/53/18/656735318.db2.gz HAQSWUNYISVYMH-LBPRGKRZSA-N 1 0 383.290 1.855 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1nn(C)cc1Br)C2 ZINC000926147645 656738991 /nfs/dbraw/zinc/73/89/91/656738991.db2.gz NUGVNYMPHIHPQN-NCZKRNLISA-N 1 0 385.306 1.392 20 0 GDADRO CN(CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)c1cccc(Br)c1 ZINC000878709889 656743442 /nfs/dbraw/zinc/74/34/42/656743442.db2.gz WEGIUQYOOOGLRH-MRXNPFEDSA-N 1 0 384.318 1.625 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2Br)CC[C@H]1C[NH3+] ZINC000926281384 656743480 /nfs/dbraw/zinc/74/34/80/656743480.db2.gz PIQOTPFDGXRUEW-OLZOCXBDSA-N 1 0 382.302 1.851 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC[C@@H]1C[NH3+] ZINC000926353005 656749005 /nfs/dbraw/zinc/74/90/05/656749005.db2.gz HVLGFAPGWOHBCM-NXEZZACHSA-N 1 0 378.420 1.564 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCc2c(Cl)ccc(Br)c2C1 ZINC000926435549 656755455 /nfs/dbraw/zinc/75/54/55/656755455.db2.gz KISFDLSTOOHYEF-VIFPVBQESA-N 1 0 388.693 1.793 20 0 GDADRO OCC1([C@H]([NH2+]C[C@H](O)c2cc(Br)no2)C2CC2)CCOCC1 ZINC000878878015 656755835 /nfs/dbraw/zinc/75/58/35/656755835.db2.gz ALLJCMHJBOGJNU-SMDDNHRTSA-N 1 0 375.263 1.628 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N1CCC([NH3+])CC1)CC2 ZINC000926447713 656755864 /nfs/dbraw/zinc/75/58/64/656755864.db2.gz SMFFTVFEJGWXTQ-UHFFFAOYSA-N 1 0 380.286 1.592 20 0 GDADRO CC[C@@H]1COCCN1CCNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000878930072 656760355 /nfs/dbraw/zinc/76/03/55/656760355.db2.gz YDTXWLYWLQXFIZ-GFCCVEGCSA-N 1 0 387.278 1.380 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cs1)C(N)=O ZINC000878943033 656761829 /nfs/dbraw/zinc/76/18/29/656761829.db2.gz ATNPIXLEBBFMHQ-XBFCOCLRSA-N 1 0 384.571 1.983 20 0 GDADRO O=C(NCC[NH2+][C@@H]1CCOC12CCOCC2)c1ccc(Br)cn1 ZINC000926681729 656776541 /nfs/dbraw/zinc/77/65/41/656776541.db2.gz ATFDJLXXDKRXGJ-CQSZACIVSA-N 1 0 384.274 1.502 20 0 GDADRO CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000926693744 656776577 /nfs/dbraw/zinc/77/65/77/656776577.db2.gz PFZDPPRWMAQNLW-YGRLFVJLSA-N 1 0 384.395 1.958 20 0 GDADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000927036080 656788802 /nfs/dbraw/zinc/78/88/02/656788802.db2.gz ZLTUFXRNAXONBE-WDEREUQCSA-N 1 0 382.404 1.418 20 0 GDADRO CCC[C@H]1CN(C(=O)Cc2c(Br)cnn2C)CC[N@@H+]1CCOC ZINC000879349363 656789401 /nfs/dbraw/zinc/78/94/01/656789401.db2.gz SKITWDLYIYHSSD-ZDUSSCGKSA-N 1 0 387.322 1.684 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)NCC[N@H+]2CC=C(C)CC2)cs1)C(N)=O ZINC000879484223 656798013 /nfs/dbraw/zinc/79/80/13/656798013.db2.gz STDWNBCCASBXGZ-AWEZNQCLSA-N 1 0 382.555 1.810 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000879559600 656805769 /nfs/dbraw/zinc/80/57/69/656805769.db2.gz PDRBXNDQZNWIAR-ZIAGYGMSSA-N 1 0 383.539 1.560 20 0 GDADRO O=C(NC[C@H](O)C(F)(F)C(F)(F)F)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927631429 656820370 /nfs/dbraw/zinc/82/03/70/656820370.db2.gz SYCLKQRPAMULQH-MNOVXSKESA-N 1 0 375.338 1.097 20 0 GDADRO C[C@H](Sc1nc(CC(=O)NCC2CC[NH+](C3CC3)CC2)cs1)C(N)=O ZINC000879784547 656829525 /nfs/dbraw/zinc/82/95/25/656829525.db2.gz NVEXHXKQQQVDSR-NSHDSACASA-N 1 0 382.555 1.642 20 0 GDADRO Cc1c(I)ccc(NC(=O)C(=O)NCC2C[NH2+]C2)c1C ZINC000927795679 656838932 /nfs/dbraw/zinc/83/89/32/656838932.db2.gz FOVAMBFSNUTPDI-UHFFFAOYSA-N 1 0 387.221 1.182 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000927808390 656840526 /nfs/dbraw/zinc/84/05/26/656840526.db2.gz BNHVLJXIKIKPRK-KSBSHMNSSA-N 1 0 378.629 1.904 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCc3c2cccc3Cl)CC[C@H]1C(F)(F)F ZINC000927848063 656844989 /nfs/dbraw/zinc/84/49/89/656844989.db2.gz GNLLDRHFAATUGO-ZYHUDNBSSA-N 1 0 375.778 1.967 20 0 GDADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CCNCC[NH2+]CC1 ZINC000927878342 656849241 /nfs/dbraw/zinc/84/92/41/656849241.db2.gz RCQAJYPFXYDYOG-UHFFFAOYSA-N 1 0 389.681 1.062 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cs1)C(N)=O ZINC000880040042 656856547 /nfs/dbraw/zinc/85/65/47/656856547.db2.gz FCVFOZWEYCHOOH-SCRDCRAPSA-N 1 0 382.555 1.452 20 0 GDADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnnn1-c1ccccc1Br ZINC000880069327 656865945 /nfs/dbraw/zinc/86/59/45/656865945.db2.gz FPPMFLJIQBHHNC-QWHCGFSZSA-N 1 0 393.289 1.066 20 0 GDADRO O=C(CNC(=O)c1c(F)cccc1Cl)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928090096 656869427 /nfs/dbraw/zinc/86/94/27/656869427.db2.gz MGENWQOKMKOXHL-ZIAGYGMSSA-N 1 0 385.892 1.905 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928093995 656870695 /nfs/dbraw/zinc/87/06/95/656870695.db2.gz PALZUVDEUBXVAF-YNEHKIRRSA-N 1 0 389.568 1.111 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928095532 656871768 /nfs/dbraw/zinc/87/17/68/656871768.db2.gz SZIFPMQPUIIFJF-CHWSQXEVSA-N 1 0 386.315 1.307 20 0 GDADRO NS(=O)(=O)c1cc(Cl)cc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000880203990 656875104 /nfs/dbraw/zinc/87/51/04/656875104.db2.gz JICNACBXUBBCPQ-MRXNPFEDSA-N 1 0 387.933 1.720 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccs1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928104889 656875509 /nfs/dbraw/zinc/87/55/09/656875509.db2.gz XNHFBTVFEBPIMI-CHWSQXEVSA-N 1 0 389.568 1.113 20 0 GDADRO C[C@@H]1[C@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)CC[N@@H+]1C ZINC000928450304 656903210 /nfs/dbraw/zinc/90/32/10/656903210.db2.gz DIDMOKTWYWDEEX-QMTHXVAHSA-N 1 0 386.265 1.917 20 0 GDADRO C[C@H]1[C@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC[N@@H+]1C ZINC000928450536 656903384 /nfs/dbraw/zinc/90/33/84/656903384.db2.gz JDGCBIVZCNKUMM-TVQRCGJNSA-N 1 0 380.242 1.254 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cs1)C(N)=O ZINC000880699969 656905059 /nfs/dbraw/zinc/90/50/59/656905059.db2.gz BPXBJAHKUZJFOV-QWHCGFSZSA-N 1 0 384.571 1.888 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(OC(F)F)c(Br)c1 ZINC000880860071 656911239 /nfs/dbraw/zinc/91/12/39/656911239.db2.gz GFDNBKLSIGPKBW-SNVBAGLBSA-N 1 0 379.201 1.847 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881270035 656924495 /nfs/dbraw/zinc/92/44/95/656924495.db2.gz OJZQGLWSOKNBIV-SNVBAGLBSA-N 1 0 383.246 1.996 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881270034 656924569 /nfs/dbraw/zinc/92/45/69/656924569.db2.gz OJZQGLWSOKNBIV-JTQLQIEISA-N 1 0 383.246 1.996 20 0 GDADRO CC(C)[N@H+](C)C[C@@H](O)Cn1cc([C@](C)(O)c2ccccc2Br)nn1 ZINC000881417783 656934885 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CCO[C@@H](CNC(=O)C(=O)NCc1cccc(Cl)c1Cl)C[NH+](C)C ZINC000929337560 656961142 /nfs/dbraw/zinc/96/11/42/656961142.db2.gz HEZUQSFKCBEVRW-LBPRGKRZSA-N 1 0 376.284 1.693 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(c2ccc([S@](=N)(=O)C(F)(F)F)cc2)CC1 ZINC000881797954 656961359 /nfs/dbraw/zinc/96/13/59/656961359.db2.gz CXTBZHZVVTUMNW-VWLOTQADSA-N 1 0 378.420 1.822 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1=O ZINC000929446106 656967271 /nfs/dbraw/zinc/96/72/71/656967271.db2.gz JWUNOPIUAJLSOV-UHFFFAOYSA-N 1 0 377.242 1.505 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)CCSC1 ZINC000929463894 656968065 /nfs/dbraw/zinc/96/80/65/656968065.db2.gz HFXWAYPNAOZJCB-MFKMUULPSA-N 1 0 385.477 1.046 20 0 GDADRO Nc1nc(Br)ccc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000929512503 656970259 /nfs/dbraw/zinc/97/02/59/656970259.db2.gz DOGZKSFBHVMHNH-UHFFFAOYSA-N 1 0 382.306 1.166 20 0 GDADRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)N=[S@@](C)(=O)N(C)C)c1 ZINC000881860715 656974415 /nfs/dbraw/zinc/97/44/15/656974415.db2.gz IYYDRSSWEFABTR-HSZRJFAPSA-N 1 0 376.548 1.178 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000881860799 656974505 /nfs/dbraw/zinc/97/45/05/656974505.db2.gz LOVNAOBDLPLEAX-ZDUSSCGKSA-N 1 0 398.356 1.140 20 0 GDADRO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000929665848 656979033 /nfs/dbraw/zinc/97/90/33/656979033.db2.gz YTJUUKFJLHOTKR-GZBFAFLISA-N 1 0 378.416 1.792 20 0 GDADRO C[C@H](O)[C@H](O)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000929801860 656985551 /nfs/dbraw/zinc/98/55/51/656985551.db2.gz ZFNURKXGDWRCJG-SMDDNHRTSA-N 1 0 391.249 1.876 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+](CCO)C2CCCCC2)CCC1 ZINC000930059223 656997656 /nfs/dbraw/zinc/99/76/56/656997656.db2.gz AWPXZZUOBWQILS-MRXNPFEDSA-N 1 0 376.563 1.615 20 0 GDADRO CC[C@H]1C[N@H+](CC2CN(S(C)(=O)=O)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000930100473 657000301 /nfs/dbraw/zinc/00/03/01/657000301.db2.gz WWGDQMZTJHELOT-LSDHHAIUSA-N 1 0 375.535 1.503 20 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20 0 GDADRO O=C(c1cc(=O)[nH]cc1Br)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000930978188 657063493 /nfs/dbraw/zinc/06/34/93/657063493.db2.gz PHKYHTJQOYBVMD-LBPRGKRZSA-N 1 0 384.274 1.877 20 0 GDADRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2ccc3nnc(Br)n3n2)C[C@H](C)O1 ZINC000882205654 657071098 /nfs/dbraw/zinc/07/10/98/657071098.db2.gz MNLCNJHPSXVXKI-FRRDWIJNSA-N 1 0 395.305 1.965 20 0 GDADRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000931271065 657088028 /nfs/dbraw/zinc/08/80/28/657088028.db2.gz CNFQVIOKVZSJOY-GFCCVEGCSA-N 1 0 384.278 1.506 20 0 GDADRO C[NH+](C)C1(C)CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000931355330 657092366 /nfs/dbraw/zinc/09/23/66/657092366.db2.gz QKDUOQBAWDCOSA-UHFFFAOYSA-N 1 0 388.921 1.342 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)CCC1 ZINC000931547167 657106546 /nfs/dbraw/zinc/10/65/46/657106546.db2.gz CWWZUKJJRFDGNV-RBSFLKMASA-N 1 0 376.588 1.673 20 0 GDADRO Cc1nn(C)c(NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1Br ZINC000931576738 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COC(=O)c1ncsc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000882620409 657160712 /nfs/dbraw/zinc/16/07/12/657160712.db2.gz IUCHZDVXGWFKQC-LLVKDONJSA-N 1 0 382.467 1.224 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cc(Cl)nc(Cl)c1 ZINC000882629740 657163900 /nfs/dbraw/zinc/16/39/00/657163900.db2.gz KEXXVCPUOBGCTR-CQSZACIVSA-N 1 0 387.311 1.915 20 0 GDADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000932699103 657210947 /nfs/dbraw/zinc/21/09/47/657210947.db2.gz YIJNMGJYZBHEOW-OAHLLOKOSA-N 1 0 397.317 1.894 20 0 GDADRO C[C@H](CNC(=O)C1(n2cc(Br)cn2)CC1)C[NH+]1CCN(C)CC1 ZINC000932714450 657212897 /nfs/dbraw/zinc/21/28/97/657212897.db2.gz IFOKVJAXHZGMJP-CYBMUJFWSA-N 1 0 384.322 1.134 20 0 GDADRO C[NH+](C)CCOc1ccc(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)cc1Cl ZINC000933026280 657247070 /nfs/dbraw/zinc/24/70/70/657247070.db2.gz SIPPZJPGYAAABR-MRXNPFEDSA-N 1 0 389.905 1.691 20 0 GDADRO CN(CC[NH2+]Cc1c2c(nn1C)CCSC2)S(=O)(=O)c1cccs1 ZINC000883071266 657267297 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[NH3+][C@H](C(=O)N1CCN(c2cnccn2)CC1)c1ccc(Br)cc1 ZINC000884191830 657333817 /nfs/dbraw/zinc/33/38/17/657333817.db2.gz OHUACHMMWBKTSI-HNNXBMFYSA-N 1 0 376.258 1.588 20 0 GDADRO COCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000884230668 657337579 /nfs/dbraw/zinc/33/75/79/657337579.db2.gz XIXDDYZIKDXTGI-CMPLNLGQSA-N 1 0 380.798 1.813 20 0 GDADRO C[C@@](Cn1cccn1)([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C(N)=O ZINC000934221313 657344837 /nfs/dbraw/zinc/34/48/37/657344837.db2.gz MADZCIVIMBAPDR-HIFRSBDPSA-N 1 0 385.237 1.352 20 0 GDADRO COC(=O)C1(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CCOCC1 ZINC000884318989 657344890 /nfs/dbraw/zinc/34/48/90/657344890.db2.gz KOOSOGNHJUQLFE-CYBMUJFWSA-N 1 0 385.258 1.535 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC1 ZINC000884346626 657349558 /nfs/dbraw/zinc/34/95/58/657349558.db2.gz UJVNPVIHHBNMAX-UHFFFAOYSA-N 1 0 379.201 1.976 20 0 GDADRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000884352037 657349961 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C[C@H]1C[N@H+](CCCNC(=O)c2cc(Br)cn3ncnc23)CCCO1 ZINC000935655350 657462915 /nfs/dbraw/zinc/46/29/15/657462915.db2.gz JXWUOGALXCZZAK-LBPRGKRZSA-N 1 0 396.289 1.723 20 0 GDADRO Cn1c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc2cc(Br)cnc21 ZINC000935842417 657498916 /nfs/dbraw/zinc/49/89/16/657498916.db2.gz IGAVZWHKQFMZFV-AWEZNQCLSA-N 1 0 392.301 1.456 20 0 GDADRO CC(C)c1ncc(Br)c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)n1 ZINC000935842686 657499896 /nfs/dbraw/zinc/49/98/96/657499896.db2.gz KTGIRIJRJQNWAQ-GFCCVEGCSA-N 1 0 382.306 1.482 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc2c(Br)cnn2c1 ZINC000935843502 657499913 /nfs/dbraw/zinc/49/99/13/657499913.db2.gz RSKYRUYKSJVUKD-CYBMUJFWSA-N 1 0 378.274 1.217 20 0 GDADRO COc1ccc(Br)cc1C[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886321958 657643168 /nfs/dbraw/zinc/64/31/68/657643168.db2.gz DXZMDMMPZBNPGC-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2)c1ncc(Cl)s1 ZINC000998333446 657649974 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Cn1ncc(Br)c1CNC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000892357845 658321160 /nfs/dbraw/zinc/32/11/60/658321160.db2.gz IBMIZBSQVIJVIN-ZDUSSCGKSA-N 1 0 380.290 1.942 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000892760217 658348277 /nfs/dbraw/zinc/34/82/77/658348277.db2.gz KXYBSLYUMBNYLG-QGZVFWFLSA-N 1 0 377.551 1.943 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892771004 658348734 /nfs/dbraw/zinc/34/87/34/658348734.db2.gz PXBFOQWRCMJZKQ-HOCLYGCPSA-N 1 0 386.539 1.384 20 0 GDADRO CN(CC(=O)N[C@@]1(C)C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000892798241 658350299 /nfs/dbraw/zinc/35/02/99/658350299.db2.gz BRVQTHGUWKXSFG-KRWDZBQOSA-N 1 0 385.917 1.561 20 0 GDADRO O=C(NCc1ncc(Br)cn1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000892836427 658352214 /nfs/dbraw/zinc/35/22/14/658352214.db2.gz MKAYWDDTWRECPL-UHFFFAOYSA-N 1 0 398.305 1.683 20 0 GDADRO CCS(=O)(=O)CC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892867370 658355692 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CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894881523 658631325 /nfs/dbraw/zinc/63/13/25/658631325.db2.gz XFZWPIBASDPPKZ-SNVBAGLBSA-N 1 0 382.939 1.051 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000894901852 658633524 /nfs/dbraw/zinc/63/35/24/658633524.db2.gz HOPUBSGJLDTBOS-SMDDNHRTSA-N 1 0 375.254 1.911 20 0 GDADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCn1cc(Br)ccc1=O ZINC000895086297 658659486 /nfs/dbraw/zinc/65/94/86/658659486.db2.gz BPOFXXRHZXZUCQ-KGLIPLIRSA-N 1 0 383.290 1.489 20 0 GDADRO COC(=O)[C@H]1C[C@@H](O)CN(Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000895124376 658668711 /nfs/dbraw/zinc/66/87/11/658668711.db2.gz KGVNNFXZFKQBRY-GXTWGEPZSA-N 1 0 385.258 1.763 20 0 GDADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895464281 658702427 /nfs/dbraw/zinc/70/24/27/658702427.db2.gz LZVIWAJLACYQFI-CYBMUJFWSA-N 1 0 396.285 1.567 20 0 GDADRO Oc1cc(Br)cnc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000895586098 658712920 /nfs/dbraw/zinc/71/29/20/658712920.db2.gz LNJPTVGNXLPQJY-NSHDSACASA-N 1 0 390.245 1.356 20 0 GDADRO C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000895593102 658712959 /nfs/dbraw/zinc/71/29/59/658712959.db2.gz YTOATYDNLYAHRD-UONOGXRCSA-N 1 0 376.519 1.473 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)C1 ZINC000895602590 658713782 /nfs/dbraw/zinc/71/37/82/658713782.db2.gz ACRJRTUXBUXPGP-BIMULSAOSA-N 1 0 396.289 1.347 20 0 GDADRO C[C@H]1CC[C@@H]([NH2+]CC2(S(=O)(=O)N(C)C)CC2)CN1C(=O)OC(C)(C)C ZINC000895810228 658730586 /nfs/dbraw/zinc/73/05/86/658730586.db2.gz JFNAZXBSTQCYJQ-UONOGXRCSA-N 1 0 375.535 1.788 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2I)C1 ZINC000895817788 658731839 /nfs/dbraw/zinc/73/18/39/658731839.db2.gz LJYGGMUWPPZBDD-SNVBAGLBSA-N 1 0 390.269 1.924 20 0 GDADRO CCOC(=O)c1ncc(C[NH2+]CCc2ccc(S(=O)(=O)NC)cc2)s1 ZINC000895841066 658732959 /nfs/dbraw/zinc/73/29/59/658732959.db2.gz NRKOQONWOQUPNJ-UHFFFAOYSA-N 1 0 383.495 1.560 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C[C@H]2C[C@@]2(C)Br)c1 ZINC000895964306 658742426 /nfs/dbraw/zinc/74/24/26/658742426.db2.gz LUFKHLPSAIPFHE-QMTHXVAHSA-N 1 0 390.303 1.296 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000896257714 658761739 /nfs/dbraw/zinc/76/17/39/658761739.db2.gz RSSRHVZDTPXLGC-IXDOHACOSA-N 1 0 394.313 1.843 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCC1 ZINC000896284452 658764390 /nfs/dbraw/zinc/76/43/90/658764390.db2.gz ZMUOVDXSRAPBSB-KGLIPLIRSA-N 1 0 380.576 1.572 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CCC1 ZINC000896284451 658764433 /nfs/dbraw/zinc/76/44/33/658764433.db2.gz ZMUOVDXSRAPBSB-KBPBESRZSA-N 1 0 380.576 1.572 20 0 GDADRO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CCS(=O)(=O)C1 ZINC000896439738 658778163 /nfs/dbraw/zinc/77/81/63/658778163.db2.gz UFMADWNFWBIGBG-INIZCTEOSA-N 1 0 390.889 1.423 20 0 GDADRO C[C@H](NC(=O)c1cc(Br)cc2c1OCCO2)[C@H]1C[N@H+](C)CCN1C ZINC000896530766 658785146 /nfs/dbraw/zinc/78/51/46/658785146.db2.gz BHQKWOZOYMINIO-SMDDNHRTSA-N 1 0 398.301 1.584 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896544882 658787705 /nfs/dbraw/zinc/78/77/05/658787705.db2.gz NFCIFEIPVGWSKQ-SMDDNHRTSA-N 1 0 394.317 1.769 20 0 GDADRO COc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)sc1Br ZINC000896553795 658789303 /nfs/dbraw/zinc/78/93/03/658789303.db2.gz VNNGMDLWUHHVJW-ZJUUUORDSA-N 1 0 376.320 1.883 20 0 GDADRO C[C@H](NC(=O)[C@H]1COc2ccc(Br)cc21)[C@@H]1C[N@H+](C)CCN1C ZINC000896552408 658789444 /nfs/dbraw/zinc/78/94/44/658789444.db2.gz LUMIAJRCJPVPCA-CQDKDKBSSA-N 1 0 382.302 1.676 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)[nH]nc2I)C1 ZINC000896754048 658806030 /nfs/dbraw/zinc/80/60/30/658806030.db2.gz DDCNDWBXWSIANG-JTQLQIEISA-N 1 0 376.242 1.737 20 0 GDADRO CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]C[C@H]1C[C@]1(C)Br ZINC000896885345 658812067 /nfs/dbraw/zinc/81/20/67/658812067.db2.gz GFORNXGOSNUOMO-PBHICJAKSA-N 1 0 382.302 1.524 20 0 GDADRO CC(C)(C)OC(=O)N1CCO[C@](C)(C[NH2+][C@H]2CCCS(=O)(=O)CC2)C1 ZINC000896896780 658812812 /nfs/dbraw/zinc/81/28/12/658812812.db2.gz GZFZKQTZNRFLBM-WMLDXEAASA-N 1 0 376.519 1.569 20 0 GDADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cc(Br)cc3c1OCC3)CC2 ZINC000897042869 658819986 /nfs/dbraw/zinc/81/99/86/658819986.db2.gz RJKLIMNOGYJHNN-HNNXBMFYSA-N 1 0 395.297 1.847 20 0 GDADRO Clc1nc(N2CCOCC2)sc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000897229961 658833705 /nfs/dbraw/zinc/83/37/05/658833705.db2.gz ZRAGSWRQAQPJCD-AWEZNQCLSA-N 1 0 386.949 1.976 20 0 GDADRO CS[C@H]1CN(C(=O)c2c[nH]nc2I)C[C@H]1[NH+](C)C ZINC000897237101 658834513 /nfs/dbraw/zinc/83/45/13/658834513.db2.gz DKRDXLIULMFKIJ-BDAKNGLRSA-N 1 0 380.255 1.132 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897767526 658889253 /nfs/dbraw/zinc/88/92/53/658889253.db2.gz YPMYTCRCGFYNQB-UKRRQHHQSA-N 1 0 397.269 1.104 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cscc2C(F)F)CC1=O ZINC000897778745 658889786 /nfs/dbraw/zinc/88/97/86/658889786.db2.gz HLQHLWSKWRTCRW-LLVKDONJSA-N 1 0 375.441 1.595 20 0 GDADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCCC2)C1 ZINC000897830904 658893456 /nfs/dbraw/zinc/89/34/56/658893456.db2.gz UYWKRUBUNCPPPO-UONOGXRCSA-N 1 0 382.473 1.759 20 0 GDADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113672 658916456 /nfs/dbraw/zinc/91/64/56/658916456.db2.gz IOIYXZZUWHTWMJ-UHFFFAOYSA-N 1 0 398.301 1.445 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ncc(Br)cn1 ZINC000898394277 658933038 /nfs/dbraw/zinc/93/30/38/658933038.db2.gz XUQPSAZXEHNBSA-UHFFFAOYSA-N 1 0 385.310 1.018 20 0 GDADRO O=C(NCc1ncc(Br)cn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000898398499 658933383 /nfs/dbraw/zinc/93/33/83/658933383.db2.gz GJERNAAXEZPHES-UHFFFAOYSA-N 1 0 398.305 1.493 20 0 GDADRO Cn1cc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c(Br)n1 ZINC000898579262 658940315 /nfs/dbraw/zinc/94/03/15/658940315.db2.gz KFOYONNIASVCSN-UHFFFAOYSA-N 1 0 385.306 1.803 20 0 GDADRO Cn1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(Br)n1 ZINC000898665733 658944238 /nfs/dbraw/zinc/94/42/38/658944238.db2.gz LFKXYSDWOHYCCW-CQSZACIVSA-N 1 0 393.285 1.679 20 0 GDADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCCS(=O)(=O)C(F)(F)F)cc1 ZINC000898679081 658945273 /nfs/dbraw/zinc/94/52/73/658945273.db2.gz LNFHLGLULCDWAS-ZDUSSCGKSA-N 1 0 382.404 1.785 20 0 GDADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000898720902 658951832 /nfs/dbraw/zinc/95/18/32/658951832.db2.gz OCUPUZWGWVRQFT-LLVKDONJSA-N 1 0 385.287 1.398 20 0 GDADRO O=S(=O)(c1ccc(I)s1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000899238313 658998581 /nfs/dbraw/zinc/99/85/81/658998581.db2.gz YYESXPWOKUPUQK-LLVKDONJSA-N 1 0 398.291 1.727 20 0 GDADRO O[C@H](C[NH2+]C[C@H](O)C1(O)CCOCC1)COc1cccc(Cl)c1Cl ZINC000899875448 659063403 /nfs/dbraw/zinc/06/34/03/659063403.db2.gz GDHKTTDLDPYWFO-RISCZKNCSA-N 1 0 380.268 1.225 20 0 GDADRO Cn1cc(Br)c(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1=O ZINC000899926518 659067518 /nfs/dbraw/zinc/06/75/18/659067518.db2.gz MUGVSYZZHXHBKP-ZDUSSCGKSA-N 1 0 398.301 1.521 20 0 GDADRO O=C(Nc1cc2c(cc1Br)OCCO2)C1C[NH+]([C@H]2CCOC2)C1 ZINC000900039747 659084344 /nfs/dbraw/zinc/08/43/44/659084344.db2.gz NLANMFFRVHNULD-NSHDSACASA-N 1 0 383.242 1.880 20 0 GDADRO CCC[NH+]1CCC(N(C)C(=O)c2c[nH]nc2I)CC1 ZINC000900322982 659099668 /nfs/dbraw/zinc/09/96/68/659099668.db2.gz PBBVZILNGVHYLP-UHFFFAOYSA-N 1 0 376.242 1.961 20 0 GDADRO C[C@H](CNC(=O)Cn1nc(Br)c(Br)n1)[N@H+](C)C1CC1 ZINC000900545014 659119847 /nfs/dbraw/zinc/11/98/47/659119847.db2.gz ZHLDKGKDVKSKHF-SSDOTTSWSA-N 1 0 395.099 1.402 20 0 GDADRO Cc1cc(Cn2cc(C[C@@H]([NH3+])CO)nn2)c(C)cc1I ZINC000900606422 659126503 /nfs/dbraw/zinc/12/65/03/659126503.db2.gz ZUSDATDYTDSFJP-GFCCVEGCSA-N 1 0 386.237 1.410 20 0 GDADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000900644842 659129682 /nfs/dbraw/zinc/12/96/82/659129682.db2.gz OOPBUBLHNYALPX-INIZCTEOSA-N 1 0 385.306 1.656 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N2CCC(CC[NH+](C)C)CC2)cs1)C(N)=O ZINC000900695228 659138076 /nfs/dbraw/zinc/13/80/76/659138076.db2.gz NZSOGRTWOWOMTM-GFCCVEGCSA-N 1 0 384.571 1.842 20 0 GDADRO C[C@@H](NC(=O)COc1ccc(C=O)cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000900811696 659149278 /nfs/dbraw/zinc/14/92/78/659149278.db2.gz NETAQPFJEOBSLJ-DOMZBBRYSA-N 1 0 398.301 1.391 20 0 GDADRO O=C(c1nn2c(c1Br)CCC2)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000901079475 659187327 /nfs/dbraw/zinc/18/73/27/659187327.db2.gz WJWXAVRQKWSSRR-CYBMUJFWSA-N 1 0 397.317 1.919 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000901136406 659195191 /nfs/dbraw/zinc/19/51/91/659195191.db2.gz XEQWDHYNJQANLR-QWRGUYRKSA-N 1 0 388.253 1.879 20 0 GDADRO CCn1c(Br)ncc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000901273045 659206973 /nfs/dbraw/zinc/20/69/73/659206973.db2.gz NMQOSOZDKVQXAF-KBPBESRZSA-N 1 0 398.349 1.764 20 0 GDADRO O=C(CN1CC[NH2+]CC1)NCc1cc(-c2ccccc2Br)no1 ZINC000901387562 659213173 /nfs/dbraw/zinc/21/31/73/659213173.db2.gz SXBQVWVYZRFZRT-UHFFFAOYSA-N 1 0 379.258 1.626 20 0 GDADRO Cn1ccc(N2CCC[C@@H]([NH2+][C@H]3CCc4ncc(Br)n4C3)C2=O)n1 ZINC000901730079 659231166 /nfs/dbraw/zinc/23/11/66/659231166.db2.gz VEJGXRNUBLAQGZ-NWDGAFQWSA-N 1 0 393.289 1.479 20 0 GDADRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CCc4ncc(Br)n4C3)C2=O)n(C)n1 ZINC000901728100 659231324 /nfs/dbraw/zinc/23/13/24/659231324.db2.gz KQTCESRWZURQNV-NWDGAFQWSA-N 1 0 393.289 1.397 20 0 GDADRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000902522597 659259181 /nfs/dbraw/zinc/25/91/81/659259181.db2.gz FRBZVBWHNJEDQM-SNVBAGLBSA-N 1 0 376.454 1.919 20 0 GDADRO CC[NH+]1CCC(NC(=O)COc2cc(Br)ccc2C(N)=O)CC1 ZINC000902617663 659267714 /nfs/dbraw/zinc/26/77/14/659267714.db2.gz PIJXVUIYDFQFGH-UHFFFAOYSA-N 1 0 384.274 1.527 20 0 GDADRO CCCn1cc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)nn1 ZINC000902800812 659279860 /nfs/dbraw/zinc/27/98/60/659279860.db2.gz UMEOZPSMUNFMFC-NSHDSACASA-N 1 0 383.440 1.900 20 0 GDADRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903061809 659293581 /nfs/dbraw/zinc/29/35/81/659293581.db2.gz JZWZWPCTIWJACS-SNVBAGLBSA-N 1 0 388.433 1.570 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903172483 659298491 /nfs/dbraw/zinc/29/84/91/659298491.db2.gz ZDLRSMCJOKLBDD-UONOGXRCSA-N 1 0 375.535 1.836 20 0 GDADRO CO[C@@]1(C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CCS(=O)(=O)C1 ZINC000903363884 659314212 /nfs/dbraw/zinc/31/42/12/659314212.db2.gz SEQAPXGKJLACBX-GRDNDAEWSA-N 1 0 376.519 1.568 20 0 GDADRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CCS(=O)(=O)C1 ZINC000903369682 659314796 /nfs/dbraw/zinc/31/47/96/659314796.db2.gz ZOBMCNNQXHERKJ-NHYWBVRUSA-N 1 0 379.475 1.084 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)NCC2CC[NH2+]CC2)c1F ZINC000903511090 659321554 /nfs/dbraw/zinc/32/15/54/659321554.db2.gz NXIVKIJWPAPTON-UHFFFAOYSA-N 1 0 381.267 1.875 20 0 GDADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 ZINC000903512676 659322123 /nfs/dbraw/zinc/32/21/23/659322123.db2.gz CTZHSBOBOBGOHT-SNVBAGLBSA-N 1 0 391.287 1.549 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CCO1 ZINC000903513358 659323009 /nfs/dbraw/zinc/32/30/09/659323009.db2.gz JYKJZYOGGGYCTD-BXKDBHETSA-N 1 0 397.722 1.980 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CCO1 ZINC000903513377 659323022 /nfs/dbraw/zinc/32/30/22/659323022.db2.gz JYKJZYOGGGYCTD-SKDRFNHKSA-N 1 0 397.722 1.980 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1F ZINC000903513909 659323356 /nfs/dbraw/zinc/32/33/56/659323356.db2.gz JSZQKSSTUHDGND-RKDXNWHRSA-N 1 0 381.267 1.968 20 0 GDADRO O=S(=O)(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccc(I)s1 ZINC000903515877 659324177 /nfs/dbraw/zinc/32/41/77/659324177.db2.gz TVOKCUQZOUEIOF-GZMMTYOYSA-N 1 0 398.291 1.916 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)C1 ZINC000903521486 659327426 /nfs/dbraw/zinc/32/74/26/659327426.db2.gz XWMZEOWDRHGSEM-CQSZACIVSA-N 1 0 375.535 1.203 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1F ZINC000903521775 659328339 /nfs/dbraw/zinc/32/83/39/659328339.db2.gz HHZNNZYJDWHNJC-SCZZXKLOSA-N 1 0 379.251 1.579 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903525422 659329466 /nfs/dbraw/zinc/32/94/66/659329466.db2.gz HYQNAQYYPONDQT-WCBMZHEXSA-N 1 0 377.260 1.429 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CCC[C@@H]4CC[C@]43C[NH3+])cc2C1 ZINC000903532136 659331673 /nfs/dbraw/zinc/33/16/73/659331673.db2.gz UHLWYEQIDYYXEV-PBHICJAKSA-N 1 0 383.539 1.545 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903535180 659332062 /nfs/dbraw/zinc/33/20/62/659332062.db2.gz MXRRZZDAKGSNCU-MNOVXSKESA-N 1 0 377.304 1.900 20 0 GDADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000903538128 659333248 /nfs/dbraw/zinc/33/32/48/659333248.db2.gz OMFSYTFBJGXTTE-UHFFFAOYSA-N 1 0 395.294 1.858 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)cnc1Cl ZINC000903544394 659335144 /nfs/dbraw/zinc/33/51/44/659335144.db2.gz PSZNMAFLHHJKNI-NSHDSACASA-N 1 0 380.297 1.825 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c(F)c1 ZINC000903545194 659335727 /nfs/dbraw/zinc/33/57/27/659335727.db2.gz CRPVQSOEPCTCOA-NSHDSACASA-N 1 0 376.425 1.410 20 0 GDADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CC[NH2+]CCC12CCOCC2 ZINC000903547452 659336566 /nfs/dbraw/zinc/33/65/66/659336566.db2.gz NPEWXAJUWLXYTL-UHFFFAOYSA-N 1 0 379.404 1.634 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000903546864 659336838 /nfs/dbraw/zinc/33/68/38/659336838.db2.gz BDJGMSKKGUQORB-CYBMUJFWSA-N 1 0 389.315 1.886 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC2(C)C)c(Br)c1 ZINC000903553362 659338907 /nfs/dbraw/zinc/33/89/07/659338907.db2.gz DHLDLCWZCRITLQ-GFCCVEGCSA-N 1 0 391.287 1.512 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)C2 ZINC000903552372 659338958 /nfs/dbraw/zinc/33/89/58/659338958.db2.gz MHYBKGWKLCBDON-YGNMPJRFSA-N 1 0 385.313 1.112 20 0 GDADRO CS(=O)(=O)c1ccccc1S(=O)(=O)NCCCCCC1CC[NH2+]CC1 ZINC000903562026 659341469 /nfs/dbraw/zinc/34/14/69/659341469.db2.gz VGCZRIVMKPQVHS-UHFFFAOYSA-N 1 0 388.555 1.928 20 0 GDADRO Cc1cnc(Cl)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903562168 659341616 /nfs/dbraw/zinc/34/16/16/659341616.db2.gz FPEWCQPPTCCSJK-GASCZTMLSA-N 1 0 384.933 1.633 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000903565625 659342988 /nfs/dbraw/zinc/34/29/88/659342988.db2.gz OHRPTPXHXWIVPK-UHFFFAOYSA-N 1 0 383.848 1.643 20 0 GDADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903572425 659345131 /nfs/dbraw/zinc/34/51/31/659345131.db2.gz PBPUDZQOAWYWHE-NXEZZACHSA-N 1 0 386.779 1.637 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC[C@@H]1C(F)(F)F ZINC000903577600 659348433 /nfs/dbraw/zinc/34/84/33/659348433.db2.gz OQAFQGQRYIZIKH-NWDGAFQWSA-N 1 0 380.388 1.748 20 0 GDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903578167 659348875 /nfs/dbraw/zinc/34/88/75/659348875.db2.gz CLQXQXBZNNJOOY-FBIMIBRVSA-N 1 0 399.460 1.845 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903578662 659349469 /nfs/dbraw/zinc/34/94/69/659349469.db2.gz JITYGPBWBUKKDK-VXGBXAGGSA-N 1 0 384.351 1.513 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903580915 659351594 /nfs/dbraw/zinc/35/15/94/659351594.db2.gz ZTALNPPHSQJCQW-BDAKNGLRSA-N 1 0 386.417 1.743 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)CCc2noc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000903581444 659351780 /nfs/dbraw/zinc/35/17/80/659351780.db2.gz JLXHSAXWWKXRGM-NWDGAFQWSA-N 1 0 377.388 1.912 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903581478 659352384 /nfs/dbraw/zinc/35/23/84/659352384.db2.gz MOVMAWQKHRQVHV-RQJHMYQMSA-N 1 0 380.314 1.339 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CC[NH2+]C)C(C)C)cc1F ZINC000903589716 659355941 /nfs/dbraw/zinc/35/59/41/659355941.db2.gz IVAYNXQPYQNQRG-UHFFFAOYSA-N 1 0 395.522 1.596 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903597569 659358059 /nfs/dbraw/zinc/35/80/59/659358059.db2.gz YWCZWJOOASEGGE-CQSZACIVSA-N 1 0 375.288 1.974 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903795793 659381006 /nfs/dbraw/zinc/38/10/06/659381006.db2.gz OPNCKHUDDJEVQF-SJCJKPOMSA-N 1 0 385.917 1.885 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903799167 659381106 /nfs/dbraw/zinc/38/11/06/659381106.db2.gz DFNWKGLCPQJMKC-KGLIPLIRSA-N 1 0 381.274 1.328 20 0 GDADRO O=C(C(=O)N1CCS[C@@H](C(F)(F)F)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000903799837 659381187 /nfs/dbraw/zinc/38/11/87/659381187.db2.gz ZFXKTUDVEYGKAR-CHWSQXEVSA-N 1 0 379.448 1.341 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000903878568 659386546 /nfs/dbraw/zinc/38/65/46/659386546.db2.gz ZGKOXRIZQKEGLB-ZDUSSCGKSA-N 1 0 377.304 1.143 20 0 GDADRO CCOc1cccc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)c1OC(F)F ZINC000903968274 659390363 /nfs/dbraw/zinc/39/03/63/659390363.db2.gz KEIPBVRGYLUOKA-CYBMUJFWSA-N 1 0 378.441 1.553 20 0 GDADRO CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000904516048 659402842 /nfs/dbraw/zinc/40/28/42/659402842.db2.gz UWDWEEFBCWLAQL-YDBLSZJJSA-N 1 0 387.472 1.262 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905009728 659416834 /nfs/dbraw/zinc/41/68/34/659416834.db2.gz REFYRDHHOXTUCG-KBXCAEBGSA-N 1 0 394.313 1.790 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905007682 659416840 /nfs/dbraw/zinc/41/68/40/659416840.db2.gz MNUGTMSOFNBRQG-OTYXRUKQSA-N 1 0 376.404 1.460 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)s1 ZINC000905022900 659417630 /nfs/dbraw/zinc/41/76/30/659417630.db2.gz IFDMUEQBIXSRQZ-VIFPVBQESA-N 1 0 382.376 1.694 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000905030314 659417708 /nfs/dbraw/zinc/41/77/08/659417708.db2.gz GACNPXAUAMJOCA-GFCCVEGCSA-N 1 0 390.374 1.975 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)CC1(CO)CCCC1)c1cccc(Cl)c1 ZINC000905039691 659418547 /nfs/dbraw/zinc/41/85/47/659418547.db2.gz XIULFGIHNLTQMU-OAHLLOKOSA-N 1 0 390.933 1.512 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CC1(CO)CCCC1)c1cccc(Cl)c1 ZINC000905039690 659418701 /nfs/dbraw/zinc/41/87/01/659418701.db2.gz XIULFGIHNLTQMU-HNNXBMFYSA-N 1 0 390.933 1.512 20 0 GDADRO O[C@H](C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)C1(O)CCOCC1 ZINC000905067697 659420255 /nfs/dbraw/zinc/42/02/55/659420255.db2.gz HPMWILQOXOULIW-RHSMWYFYSA-N 1 0 399.329 1.767 20 0 GDADRO COCCC1(C[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCC1 ZINC000905171753 659428874 /nfs/dbraw/zinc/42/88/74/659428874.db2.gz UUAWBHDCQHALBY-OAHLLOKOSA-N 1 0 376.563 1.784 20 0 GDADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)nc12 ZINC000905212114 659433751 /nfs/dbraw/zinc/43/37/51/659433751.db2.gz IXAOMMIMEZOKNU-GOEBONIOSA-N 1 0 384.274 1.397 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)C[C@@]1(O)CCOC1 ZINC000905235615 659435399 /nfs/dbraw/zinc/43/53/99/659435399.db2.gz BWKLAFYXQSYINS-PVAVHDDUSA-N 1 0 385.302 1.520 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccc(F)cc1Cl ZINC000905253805 659437316 /nfs/dbraw/zinc/43/73/16/659437316.db2.gz HCNDGDVNFUZBHP-ZDUSSCGKSA-N 1 0 394.896 1.403 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CCOCC2CCCC2)CCC1 ZINC000905280096 659439184 /nfs/dbraw/zinc/43/91/84/659439184.db2.gz LWCRBXBTTDIOQB-MRXNPFEDSA-N 1 0 376.563 1.784 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000905341899 659444317 /nfs/dbraw/zinc/44/43/17/659444317.db2.gz DYBQDWRCIVLBPS-CQSZACIVSA-N 1 0 390.889 1.064 20 0 GDADRO COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905359005 659447115 /nfs/dbraw/zinc/44/71/15/659447115.db2.gz JJXPCJQCTABIET-QGZVFWFLSA-N 1 0 388.917 1.733 20 0 GDADRO O=S1(=O)CCC[C@H]1CC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000905433483 659453238 /nfs/dbraw/zinc/45/32/38/659453238.db2.gz XHJJVWGWTGYKJJ-HIFRSBDPSA-N 1 0 392.315 1.746 20 0 GDADRO Cn1ccn2c(CC[NH2+]C[C@H](O)c3cccc(Br)c3)nnc2c1=O ZINC000905472426 659456062 /nfs/dbraw/zinc/45/60/62/659456062.db2.gz HPTLOEOQVVOFGJ-ZDUSSCGKSA-N 1 0 392.257 1.056 20 0 GDADRO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905510426 659460663 /nfs/dbraw/zinc/46/06/63/659460663.db2.gz VWZYVOBVBDVFFZ-NHYWBVRUSA-N 1 0 386.461 1.016 20 0 GDADRO CO[C@]1(C[NH2+]C[C@H](O)c2ccccc2Br)CCS(=O)(=O)C1 ZINC000905557475 659464839 /nfs/dbraw/zinc/46/48/39/659464839.db2.gz OPNCXRSQIZTMBQ-KBPBESRZSA-N 1 0 378.288 1.276 20 0 GDADRO CO[C@]1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCS(=O)(=O)C1 ZINC000905559777 659465418 /nfs/dbraw/zinc/46/54/18/659465418.db2.gz ZFCXBJYPLGIKHN-NHYWBVRUSA-N 1 0 398.308 1.526 20 0 GDADRO CO[C@@]1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCS(=O)(=O)C1 ZINC000905559744 659465471 /nfs/dbraw/zinc/46/54/71/659465471.db2.gz YSXZUUULFVVVGC-SWLSCSKDSA-N 1 0 398.308 1.526 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(Br)c1 ZINC000905571970 659466283 /nfs/dbraw/zinc/46/62/83/659466283.db2.gz OVBUOLAZLROHDG-KYOSRNDESA-N 1 0 390.299 1.616 20 0 GDADRO Cn1nnc2c1C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)CC2 ZINC000905635726 659470485 /nfs/dbraw/zinc/47/04/85/659470485.db2.gz ZZZAZPMBEOJMNU-OLZOCXBDSA-N 1 0 381.274 1.464 20 0 GDADRO COc1nn(C)cc1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000905676044 659474852 /nfs/dbraw/zinc/47/48/52/659474852.db2.gz SGDFWUQJBURKMA-CYBMUJFWSA-N 1 0 388.237 1.860 20 0 GDADRO COCCNc1nn(CN2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c(=S)s1 ZINC000905708867 659478566 /nfs/dbraw/zinc/47/85/66/659478566.db2.gz XMJPSXYMKAAPSJ-NHYWBVRUSA-N 1 0 387.531 1.900 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)ccn2)CC1 ZINC000906232695 659526209 /nfs/dbraw/zinc/52/62/09/659526209.db2.gz PSWBUAFSENRRQZ-LBPRGKRZSA-N 1 0 395.718 1.571 20 0 GDADRO Cn1ccc(-n2cc(CN[C@H](CO)c3ccc(Br)cc3)nn2)n1 ZINC000906307543 659530399 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Cc1nc(Br)ccc1NC(=O)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906714827 659574854 /nfs/dbraw/zinc/57/48/54/659574854.db2.gz CUCCNQBADSVQLF-UHFFFAOYSA-N 1 0 381.274 1.739 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc(OC)c1Br ZINC000906717786 659575636 /nfs/dbraw/zinc/57/56/36/659575636.db2.gz QMNXSXHHXFMCNZ-JMJZKYOTSA-N 1 0 398.257 1.414 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906727172 659576775 /nfs/dbraw/zinc/57/67/75/659576775.db2.gz LCIARDIWBNAARD-MVWJERBFSA-N 1 0 379.258 1.669 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(C)c1Br ZINC000906749863 659581601 /nfs/dbraw/zinc/58/16/01/659581601.db2.gz ZQASQQUUCPNYEZ-LBPRGKRZSA-N 1 0 384.274 1.533 20 0 GDADRO O=C(Nc1cccc(I)c1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906757107 659582537 /nfs/dbraw/zinc/58/25/37/659582537.db2.gz NFVQJUOMCVWCAG-HNNXBMFYSA-N 1 0 399.232 1.584 20 0 GDADRO O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906779993 659586151 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CC(C)[NH+]1CCN(CCCC(=O)NCCn2cc(Br)cn2)CC1 ZINC000908167004 659878139 /nfs/dbraw/zinc/87/81/39/659878139.db2.gz OPUWAIVNMOCEEV-UHFFFAOYSA-N 1 0 386.338 1.568 20 0 GDADRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000908199092 659881031 /nfs/dbraw/zinc/88/10/31/659881031.db2.gz CJTSPBFOEQLEQX-LLVKDONJSA-N 1 0 387.303 1.408 20 0 GDADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908199477 659881111 /nfs/dbraw/zinc/88/11/11/659881111.db2.gz FCWCFJVMJVXLQR-NWDGAFQWSA-N 1 0 377.432 1.766 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3nscc3I)C2)C1 ZINC000908363900 659901228 /nfs/dbraw/zinc/90/12/28/659901228.db2.gz VFMBDSNQHAUKEL-GFCCVEGCSA-N 1 0 377.251 1.916 20 0 GDADRO CN1CC[NH+](CC2CN(C(=O)[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000908400288 659904069 /nfs/dbraw/zinc/90/40/69/659904069.db2.gz PVVMOVITDGGJCG-MRXNPFEDSA-N 1 0 382.302 1.188 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1nscc1I ZINC000908526076 659923375 /nfs/dbraw/zinc/92/33/75/659923375.db2.gz JZTPSFIDXPETHJ-SECBINFHSA-N 1 0 395.266 1.324 20 0 GDADRO O=C([C@H](O)c1cccc(Br)c1)N1CCC[C@H](N2CCOCC2)C1 ZINC000908535426 659923645 /nfs/dbraw/zinc/92/36/45/659923645.db2.gz XBUGHXRELUDSGI-JKSUJKDBSA-N 1 0 383.286 1.806 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908609391 659926700 /nfs/dbraw/zinc/92/67/00/659926700.db2.gz RCEAJLZQSCQHLJ-UHFFFAOYSA-N 1 0 386.290 1.823 20 0 GDADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000908610598 659926721 /nfs/dbraw/zinc/92/67/21/659926721.db2.gz PRKKPLKJSNFRRZ-HNNXBMFYSA-N 1 0 385.302 1.834 20 0 GDADRO CCN(C(=O)c1cn(C)nc1I)C1CC[NH+](C)CC1 ZINC000908914138 659935402 /nfs/dbraw/zinc/93/54/02/659935402.db2.gz QJIALNOWOIIMEU-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO O=C(CNC(=O)c1cc(Br)cnc1F)NCC[NH+]1CCCCC1 ZINC000909313791 659945067 /nfs/dbraw/zinc/94/50/67/659945067.db2.gz YYCADQSPISPGLD-UHFFFAOYSA-N 1 0 387.253 1.315 20 0 GDADRO COc1cc(Br)ccc1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909322724 659945732 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659996527 /nfs/dbraw/zinc/99/65/27/659996527.db2.gz ZLXVLNVHACUPCA-OAHLLOKOSA-N 1 0 386.315 1.871 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000911175241 659997479 /nfs/dbraw/zinc/99/74/79/659997479.db2.gz FRJFWMHTRJPEFP-ZDUSSCGKSA-N 1 0 394.313 1.794 20 0 GDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)Oc1ccccc1Br ZINC000911211626 659998868 /nfs/dbraw/zinc/99/88/68/659998868.db2.gz ZPFGQCPOQOKQAK-MHDGFBEUSA-N 1 0 396.285 1.342 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911254461 660000179 /nfs/dbraw/zinc/00/01/79/660000179.db2.gz GHLMQAXXPJQVCL-CKYFFXLPSA-N 1 0 384.274 1.488 20 0 GDADRO C[NH2+]CCN(C(=O)C(=O)NCCc1ccc(Br)cc1F)C(C)C ZINC000911255133 660000400 /nfs/dbraw/zinc/00/04/00/660000400.db2.gz MSJZONAIFZZRPW-UHFFFAOYSA-N 1 0 388.281 1.703 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911256488 660000565 /nfs/dbraw/zinc/00/05/65/660000565.db2.gz UIZDVIFNMRYGPE-QMTHXVAHSA-N 1 0 398.301 1.831 20 0 GDADRO [NH3+]C1CCC(NC(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)CC1 ZINC000911282286 660001727 /nfs/dbraw/zinc/00/17/27/660001727.db2.gz SYJAPHTYNFSVPF-UHFFFAOYSA-N 1 0 398.276 1.859 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC000911282834 660001737 /nfs/dbraw/zinc/00/17/37/660001737.db2.gz CDFAUGLLGOAMJH-LLVKDONJSA-N 1 0 398.276 1.589 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000911284020 660001931 /nfs/dbraw/zinc/00/19/31/660001931.db2.gz YPZCJGFQBTXYAC-RBSFLKMASA-N 1 0 395.301 1.894 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H]1c1cncc(Br)c1)C1CC1 ZINC000911295547 660002263 /nfs/dbraw/zinc/00/22/63/660002263.db2.gz GULQVQYXDPYUBT-UONOGXRCSA-N 1 0 381.274 1.361 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N[C@H]1CCC[NH2+]CC1)CC2 ZINC000911301636 660002401 /nfs/dbraw/zinc/00/24/01/660002401.db2.gz DPCHAWXKHOSIRX-HNNXBMFYSA-N 1 0 394.313 1.901 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)CC[NH2+]1 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721409052 /nfs/dbraw/zinc/40/90/52/721409052.db2.gz VUSOJFOMLZSRAL-YLJYHZDGSA-N 1 0 375.517 1.559 20 0 GDADRO CSc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164886171 721419727 /nfs/dbraw/zinc/41/97/27/721419727.db2.gz HWRBLSGRCQXBHM-APWZRJJASA-N 1 0 377.558 1.964 20 0 GDADRO Cc1cc(C(N)=O)cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893214 721448318 /nfs/dbraw/zinc/44/83/18/721448318.db2.gz YWEIWSAQGKXAES-WIYYLYMNSA-N 1 0 387.528 1.254 20 0 GDADRO CCc1ncnc(Cl)c1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164795302 721509698 /nfs/dbraw/zinc/50/96/98/721509698.db2.gz KIYYPBIQCQMQGI-UHFFFAOYSA-N 1 0 375.908 1.657 20 0 GDADRO COc1cccc2cnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc21 ZINC001164798370 721514645 /nfs/dbraw/zinc/51/46/45/721514645.db2.gz SKDKHHCALMZIRG-UHFFFAOYSA-N 1 0 393.495 1.603 20 0 GDADRO COC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1N ZINC001164799892 721543537 /nfs/dbraw/zinc/54/35/37/721543537.db2.gz BRECWYDIJFTJOH-BJLQDIEVSA-N 1 0 397.479 1.714 20 0 GDADRO CCOC(=O)c1ccc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nn1 ZINC001165009483 721733210 /nfs/dbraw/zinc/73/32/10/721733210.db2.gz XEYINSDBWGUFOP-UHFFFAOYSA-N 1 0 375.473 1.176 20 0 GDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nccc(N3CCCCC3)n2)CC1 ZINC001165011361 721741797 /nfs/dbraw/zinc/74/17/97/721741797.db2.gz VYUVQIRBUOJFIS-UHFFFAOYSA-N 1 0 386.544 1.990 20 0 GDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4C(=O)N(c5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001165019209 721791333 /nfs/dbraw/zinc/79/13/33/721791333.db2.gz JVPYIOVNCSCMJA-WMZOPIPTSA-N 1 0 378.480 1.328 20 0 GDADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc(C(N)=O)c(Cl)n1 ZINC001164923357 721849881 /nfs/dbraw/zinc/84/98/81/721849881.db2.gz ACGYFHHCFXTUFL-STQMWFEESA-N 1 0 387.862 1.593 20 0 GDADRO C[NH+](C)CC1CCN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)CC1 ZINC001165044465 721948051 /nfs/dbraw/zinc/94/80/51/721948051.db2.gz ABNQVEJHCAFFFQ-UHFFFAOYSA-N 1 0 382.864 1.705 20 0 GDADRO CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]2C1 ZINC001164952941 721989259 /nfs/dbraw/zinc/98/92/59/721989259.db2.gz RLMVWEDHWJWDLP-MSOLQXFVSA-N 1 0 393.557 1.242 20 0 GDADRO C[NH+](C)Cc1ccnc(N2C[C@H](NC(=O)c3cscn3)[C@H]3OCCC[C@H]32)c1 ZINC001164949242 722001756 /nfs/dbraw/zinc/00/17/56/722001756.db2.gz DCZBDEPJTHQXSV-YXJHDRRASA-N 1 0 387.509 1.766 20 0 GDADRO CC[NH+](CC)C1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC001165054530 722006640 /nfs/dbraw/zinc/00/66/40/722006640.db2.gz PHIDWKIKXHABHR-UHFFFAOYSA-N 1 0 394.541 1.263 20 0 GDADRO C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@H]3CCN4C(=O)c3cscn3)n2)CC1 ZINC001164966371 722064929 /nfs/dbraw/zinc/06/49/29/722064929.db2.gz RPUIJWDQRRZYJS-SJORKVTESA-N 1 0 398.536 1.783 20 0 GDADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968100 722077941 /nfs/dbraw/zinc/07/79/41/722077941.db2.gz QLEIEHHGNNPOBD-BNOWGMLFSA-N 1 0 380.876 1.706 20 0 GDADRO COc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1OC ZINC001164983657 722116276 /nfs/dbraw/zinc/11/62/76/722116276.db2.gz YWBFYIMWHYHXHE-SJLPKXTDSA-N 1 0 385.468 1.616 20 0 GDADRO c1cn(-c2cncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cn1 ZINC001164985015 722131177 /nfs/dbraw/zinc/13/11/77/722131177.db2.gz YUSWXMZMIDBMSE-MOPGFXCFSA-N 1 0 391.479 1.785 20 0 GDADRO Cc1nc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2[nH]1 ZINC001164985022 722131751 /nfs/dbraw/zinc/13/17/51/722131751.db2.gz YVFMJWSZDASODF-WMZOPIPTSA-N 1 0 379.468 1.735 20 0 GDADRO CCNC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164984247 722139257 /nfs/dbraw/zinc/13/92/57/722139257.db2.gz WXBFHSOACXVNHX-PMACEKPBSA-N 1 0 395.507 1.954 20 0 GDADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc5c(nn4)CCOC5)CC[C@@H]3C2)c1 ZINC001164971281 722152277 /nfs/dbraw/zinc/15/22/77/722152277.db2.gz BOTOVHGJDQVIJS-YLJYHZDGSA-N 1 0 381.480 1.672 20 0 GDADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ncc5c(n4)C[NH2+]C5)CC[C@@H]32)cs1 ZINC001164991778 722181415 /nfs/dbraw/zinc/18/14/15/722181415.db2.gz RHXUUTNMLDFMIV-ZWKOTPCHSA-N 1 0 386.525 1.715 20 0 GDADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc(Cl)n1)CCC2 ZINC001165001027 722252168 /nfs/dbraw/zinc/25/21/68/722252168.db2.gz YVHQWLMNFKLUQO-UHFFFAOYSA-N 1 0 386.287 1.863 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738347326 945262141 /nfs/dbraw/zinc/26/21/41/945262141.db2.gz HCKNPGCRXKIVHR-CQSZACIVSA-N 1 0 394.476 1.645 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000735882998 944709299 /nfs/dbraw/zinc/70/92/99/944709299.db2.gz UZVNRGMLYHMKOY-ZDUSSCGKSA-N 1 0 375.452 1.925 20 0 GDADRO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705105 944873572 /nfs/dbraw/zinc/87/35/72/944873572.db2.gz FMCJVMMANCAIKK-IAGOWNOFSA-N 1 0 397.483 1.702 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000737034352 944938033 /nfs/dbraw/zinc/93/80/33/944938033.db2.gz ZHMLGSYROFFWEN-ZFWWWQNUSA-N 1 0 388.472 1.633 20 0 GDADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1ocnc1C1CC1 ZINC001571261610 945429294 /nfs/dbraw/zinc/42/92/94/945429294.db2.gz HFYCWPBGYSPIJT-XYPYZODXSA-N 1 0 385.453 1.844 20 0 GDADRO C[C@@H](C(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001571263338 945455498 /nfs/dbraw/zinc/45/54/98/945455498.db2.gz NFLJPZOSMSQCRW-CZUORRHYSA-N 1 0 385.472 1.292 20 0 GDADRO C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)COC2CCCC2)C1 ZINC001571263888 945469601 /nfs/dbraw/zinc/46/96/01/945469601.db2.gz ZETNVOOKULRZQL-KBPBESRZSA-N 1 0 385.472 1.292 20 0 GDADRO C[C@@H]1CN(C(=O)C[C@@H]2CC(C)(C)CO2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571263942 945472333 /nfs/dbraw/zinc/47/23/33/945472333.db2.gz CJOPQPZWJGJSNZ-XJKCOSOUSA-N 1 0 385.472 1.148 20 0 GDADRO CC1(NC(=O)[C@@H]2CCCOCC2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571264122 945476151 /nfs/dbraw/zinc/47/61/51/945476151.db2.gz GPRQMMMFCYDNEQ-CQSZACIVSA-N 1 0 385.472 1.554 20 0 GDADRO CC1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC001571264166 945477063 /nfs/dbraw/zinc/47/70/63/945477063.db2.gz HRZQKADWLMIBNJ-KUHUBIRLSA-N 1 0 385.472 1.206 20 0 GDADRO C[C@H]1CC[C@H](NC(=O)Cc2ccc[nH]2)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571265152 945502147 /nfs/dbraw/zinc/50/21/47/945502147.db2.gz DZDWGPVZVYRTFW-JSGCOSHPSA-N 1 0 385.497 1.968 20 0 GDADRO Cc1nonc1C(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571268278 945591879 /nfs/dbraw/zinc/59/18/79/945591879.db2.gz QFJDJHCCPTZVQQ-UHFFFAOYSA-N 1 0 386.391 1.090 20 0 GDADRO Cn1nccc1C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571271557 945643953 /nfs/dbraw/zinc/64/39/53/945643953.db2.gz DKHOSXBBAVJKHM-UHFFFAOYSA-N 1 0 386.485 1.304 20 0 GDADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571271560 945644984 /nfs/dbraw/zinc/64/49/84/945644984.db2.gz DLDPPWABYFGOJM-UHFFFAOYSA-N 1 0 386.504 1.644 20 0 GDADRO CC(C)[C@H](C(=O)N1CCC(N(C)c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+](C)C ZINC001571271584 945646219 /nfs/dbraw/zinc/64/62/19/945646219.db2.gz DYEPYMNGYGXUNC-QGZVFWFLSA-N 1 0 386.504 1.275 20 0 GDADRO Cc1nc(CC[NH2+][C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cs1 ZINC001571271601 945646899 /nfs/dbraw/zinc/64/68/99/945646899.db2.gz FKNVOGFYSORONP-ZDUSSCGKSA-N 1 0 386.485 1.397 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821189297 945648488 /nfs/dbraw/zinc/64/84/88/945648488.db2.gz KMZAINLYHPWTJF-KRWDZBQOSA-N 1 0 387.488 1.238 20 0 GDADRO CO[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1)C(C)C ZINC001571271748 945649834 /nfs/dbraw/zinc/64/98/34/945649834.db2.gz ITEQRTSPZLNHTD-QZTJIDSGSA-N 1 0 386.500 1.961 20 0 GDADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c(Cl)n1 ZINC001571274943 945701346 /nfs/dbraw/zinc/70/13/46/945701346.db2.gz MXJVVSVXHYJRPK-HAQNSBGRSA-N 1 0 386.847 1.304 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@@H](C)CO3)C2)cc1-c1nn[nH]n1 ZINC001571275815 945715224 /nfs/dbraw/zinc/71/52/24/945715224.db2.gz CYJGZWZKGQNTCV-LSCFUAHRSA-N 1 0 386.456 1.037 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCSC1 ZINC000821586271 945725457 /nfs/dbraw/zinc/72/54/57/945725457.db2.gz QQGAICFUTLBFEN-HNNXBMFYSA-N 1 0 375.502 1.445 20 0 GDADRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821630034 945758566 /nfs/dbraw/zinc/75/85/66/945758566.db2.gz JVXTYAVQBUAERP-NXEZZACHSA-N 1 0 391.501 1.058 20 0 GDADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000821649688 945773819 /nfs/dbraw/zinc/77/38/19/945773819.db2.gz BDMVNXUWNGBYTD-QAPCUYQASA-N 1 0 384.484 1.745 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCC[N@@H+]1CCC1CCOCC1 ZINC001571281112 945797119 /nfs/dbraw/zinc/79/71/19/945797119.db2.gz CKBFLTGXLNQHMN-ZFWWWQNUSA-N 1 0 387.488 1.594 20 0 GDADRO O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571281402 945803902 /nfs/dbraw/zinc/80/39/02/945803902.db2.gz HYKBRKLOMYJFAC-UONOGXRCSA-N 1 0 387.463 1.941 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1ncccc1F ZINC001571281792 945812407 /nfs/dbraw/zinc/81/24/07/945812407.db2.gz AFEIOTCOEUOXTN-XYPYZODXSA-N 1 0 387.444 1.761 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC([C@@H]2[N@H+](CCF)CC23CCC3)CC1 ZINC001571281945 945819999 /nfs/dbraw/zinc/81/99/99/945819999.db2.gz PWVKXHRJQWVAND-INIZCTEOSA-N 1 0 387.463 1.871 20 0 GDADRO O=C(c1cncs1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571282124 945831298 /nfs/dbraw/zinc/83/12/98/945831298.db2.gz DFFOJWHLMAHVJL-GFCCVEGCSA-N 1 0 387.444 1.857 20 0 GDADRO C[C@@H]1CN(c2cccc(F)c2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001571282436 945842059 /nfs/dbraw/zinc/84/20/59/945842059.db2.gz YJIOQKIHLDXMIQ-XPKDYRNWSA-N 1 0 387.463 1.431 20 0 GDADRO Cc1nc(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571282492 945847666 /nfs/dbraw/zinc/84/76/66/945847666.db2.gz ZYQDSHVNJBSOMU-LBPRGKRZSA-N 1 0 387.469 1.867 20 0 GDADRO O=C(Cc1ccc(F)cn1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571282713 945856530 /nfs/dbraw/zinc/85/65/30/945856530.db2.gz OHZLWHKGYJSWSV-CYBMUJFWSA-N 1 0 387.444 1.396 20 0 GDADRO Cc1nscc1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571282760 945862974 /nfs/dbraw/zinc/86/29/74/945862974.db2.gz PZFBOCPHQRFNSK-ZDUSSCGKSA-N 1 0 387.444 1.775 20 0 GDADRO CC(C)[C@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[nH]n2)n1)[NH+](C)C ZINC001571284678 945904991 /nfs/dbraw/zinc/90/49/91/945904991.db2.gz SMWXLJMHTFWYLU-XJKSGUPXSA-N 1 0 387.492 1.036 20 0 GDADRO C[N@H+](CC[C@H]1CCCCO1)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571285055 945907418 /nfs/dbraw/zinc/90/74/18/945907418.db2.gz XRTZWTLWTOZFHF-OAHLLOKOSA-N 1 0 387.488 1.690 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CN1C(=O)c1cnsn1 ZINC001571286871 945960504 /nfs/dbraw/zinc/96/05/04/945960504.db2.gz UHJOBSOKGSVCNW-BXKDBHETSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571287657 945974755 /nfs/dbraw/zinc/97/47/55/945974755.db2.gz HEQXRARPCCNJED-MUKKUYKPSA-N 1 0 388.447 1.179 20 0 GDADRO O=C(C[C@H]1CCCCO1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571288275 945985334 /nfs/dbraw/zinc/98/53/34/945985334.db2.gz NDQVQTQEKBZOHV-HZPDHXFCSA-N 1 0 388.447 1.656 20 0 GDADRO C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571288318 945985799 /nfs/dbraw/zinc/98/57/99/945985799.db2.gz NYLYOIFRIMLTJX-WBMJQRKESA-N 1 0 388.447 1.247 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571288550 945988236 /nfs/dbraw/zinc/98/82/36/945988236.db2.gz QHVJSYFUWZIXIN-ZIAGYGMSSA-N 1 0 388.447 1.371 20 0 GDADRO O=C([C@H]1CCCCO1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288684 945990832 /nfs/dbraw/zinc/99/08/32/945990832.db2.gz RFESNTRJUDZJHT-WMLDXEAASA-N 1 0 388.447 1.656 20 0 GDADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC001571288720 945991546 /nfs/dbraw/zinc/99/15/46/945991546.db2.gz RWYROJQUJHBRDQ-HZPDHXFCSA-N 1 0 388.447 1.608 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(CNc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001571289366 946002955 /nfs/dbraw/zinc/00/29/55/946002955.db2.gz ARUNWAXEDYTWEX-KBXCAEBGSA-N 1 0 388.451 1.146 20 0 GDADRO COc1cc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C)sn1 ZINC001571289993 946026837 /nfs/dbraw/zinc/02/68/37/946026837.db2.gz RXPSDKFEHUVPCS-JOYOIKCWSA-N 1 0 388.457 1.053 20 0 GDADRO O=C(N[C@H]1C[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1)C12CC[NH+](CC1)C2 ZINC001571290942 946063118 /nfs/dbraw/zinc/06/31/18/946063118.db2.gz VDALBRPJQWECIE-TXEJJXNPSA-N 1 0 388.863 1.070 20 0 GDADRO CCc1ncc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)s1 ZINC001571294319 946132165 /nfs/dbraw/zinc/13/21/65/946132165.db2.gz FJWKGFKUJPRYHC-JTQLQIEISA-N 1 0 389.510 1.951 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCc2cccnc21 ZINC001571295613 946168759 /nfs/dbraw/zinc/16/87/59/946168759.db2.gz ZLPWLPVQXRDWQC-FGTMMUONSA-N 1 0 389.463 1.729 20 0 GDADRO O=C(c1ccccc1O)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571296374 946192410 /nfs/dbraw/zinc/19/24/10/946192410.db2.gz WIYPOPIYMQNJQX-MAUKXSAKSA-N 1 0 390.447 1.919 20 0 GDADRO CC[C@@H](C(=O)N1CCC(C)(Nc2ncc(-c3nn[nH]n3)cc2F)CC1)[NH+](C)C ZINC001571298013 946203616 /nfs/dbraw/zinc/20/36/16/946203616.db2.gz HCJQMORWYZWWME-AWEZNQCLSA-N 1 0 390.467 1.534 20 0 GDADRO Cc1nsc(NC[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1-c1nn[nH]n1 ZINC001571298681 946225633 /nfs/dbraw/zinc/22/56/33/946225633.db2.gz CFBSRULXPQSNIU-RAIGVLPGSA-N 1 0 390.517 1.280 20 0 GDADRO O=C(N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1(c2ccccn2)CC1 ZINC001571299125 946241492 /nfs/dbraw/zinc/24/14/92/946241492.db2.gz UNWRABZDNCXOBM-AWEZNQCLSA-N 1 0 390.451 1.213 20 0 GDADRO CC(C)[C@@H](O)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C(C)(C)C1 ZINC001571299600 946256851 /nfs/dbraw/zinc/25/68/51/946256851.db2.gz YJLKGKLFIOUPOZ-HZPDHXFCSA-N 1 0 390.463 1.349 20 0 GDADRO Cc1nsc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1-c1nn[nH]n1 ZINC001571299680 946259039 /nfs/dbraw/zinc/25/90/39/946259039.db2.gz ONQMXJRSERFUJH-FRRDWIJNSA-N 1 0 390.517 1.057 20 0 GDADRO CC(C)(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571299681 946259799 /nfs/dbraw/zinc/25/97/99/946259799.db2.gz YZFJCSHDMSPBMK-OAHLLOKOSA-N 1 0 390.463 1.759 20 0 GDADRO CCO[C@H]1C[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571299757 946260962 /nfs/dbraw/zinc/26/09/62/946260962.db2.gz PQTIKFNNIQJZIA-CABCVRRESA-N 1 0 390.513 1.681 20 0 GDADRO CC[C@@H](SC)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001571300281 946278781 /nfs/dbraw/zinc/27/87/81/946278781.db2.gz YTQHMKYMYKBGQR-CZUORRHYSA-N 1 0 390.513 1.707 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@@H]1C[NH2+]Cc1nccn1C(F)F ZINC001571302421 946303786 /nfs/dbraw/zinc/30/37/86/946303786.db2.gz XIEOQAHTHMZSMZ-LLVKDONJSA-N 1 0 391.386 1.181 20 0 GDADRO O=C(Cc1cccnc1)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571305432 946362567 /nfs/dbraw/zinc/36/25/67/946362567.db2.gz BBKMBSRGAMJPEP-LJQANCHMSA-N 1 0 391.479 1.975 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)cn1 ZINC001571305765 946375558 /nfs/dbraw/zinc/37/55/58/946375558.db2.gz BXSLGKOHUILDPD-BEFAXECRSA-N 1 0 391.479 1.892 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001571306363 946397337 /nfs/dbraw/zinc/39/73/37/946397337.db2.gz UHMAPEVPWKPVHI-KDOFPFPSSA-N 1 0 391.479 1.804 20 0 GDADRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC3(F)F)C2)cc1-c1nn[nH]n1 ZINC001571308903 946437662 /nfs/dbraw/zinc/43/76/62/946437662.db2.gz VBSGEZHOLIURJE-YIZWMMSDSA-N 1 0 392.410 1.515 20 0 GDADRO COCc1ccccc1C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571310780 946477174 /nfs/dbraw/zinc/47/71/74/946477174.db2.gz MTADPMPPFUNGCU-UHFFFAOYSA-N 1 0 392.463 1.875 20 0 GDADRO CCc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@@H]3C2)[nH]n1 ZINC001571312845 946502746 /nfs/dbraw/zinc/50/27/46/946502746.db2.gz DPHPBNKVDAJPBY-IYBDPMFKSA-N 1 0 392.467 1.356 20 0 GDADRO CCc1cncc(C(=O)NC[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571313053 946509932 /nfs/dbraw/zinc/50/99/32/946509932.db2.gz IVUZTQXAFHAXIW-FZNQNYSPSA-N 1 0 392.467 1.570 20 0 GDADRO CC(=O)N1CC[C@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)[C@@H](C)C1 ZINC000823972419 946530774 /nfs/dbraw/zinc/53/07/74/946530774.db2.gz ANPZAUHZQPGBPD-YWZLYKJASA-N 1 0 397.527 1.678 20 0 GDADRO Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC001571314685 946543317 /nfs/dbraw/zinc/54/33/17/946543317.db2.gz AAOQTTWHGXEDJG-UHFFFAOYSA-N 1 0 392.467 1.750 20 0 GDADRO Cc1cc(NC[C@H]2CC[C@H](NC(=O)c3ccncc3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315144 946548397 /nfs/dbraw/zinc/54/83/97/946548397.db2.gz GSBILOGXSQFCQI-GJZGRUSLSA-N 1 0 392.467 1.706 20 0 GDADRO Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571316130 946565738 /nfs/dbraw/zinc/56/57/38/946565738.db2.gz URKHABLYOMNBRO-SJORKVTESA-N 1 0 392.467 1.777 20 0 GDADRO Cc1nc(C)c(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)[nH]1 ZINC001571316579 946581548 /nfs/dbraw/zinc/58/15/48/946581548.db2.gz HARQZPCAONIADC-OSYLJGHBSA-N 1 0 392.467 1.314 20 0 GDADRO Cc1nnccc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316753 946588143 /nfs/dbraw/zinc/58/81/43/946588143.db2.gz LMEIMOKXHYHKBR-SUMWQHHRSA-N 1 0 392.467 1.748 20 0 GDADRO O=C(NC1(C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1)c1cn[nH]c1 ZINC001571316833 946590144 /nfs/dbraw/zinc/59/01/44/946590144.db2.gz NTPQCOINJGKELQ-UHFFFAOYSA-N 1 0 392.467 1.764 20 0 GDADRO Cn1nc2c(c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C1)CCC2 ZINC001571316934 946592303 /nfs/dbraw/zinc/59/23/03/946592303.db2.gz QFMFERJOBSIAHY-OKILXGFUSA-N 1 0 392.467 1.140 20 0 GDADRO Cn1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2-c2nn[nH]n2)n1 ZINC001571317019 946596174 /nfs/dbraw/zinc/59/61/74/946596174.db2.gz RYXNXKSATJZPQU-CALCHBBNSA-N 1 0 392.467 1.018 20 0 GDADRO CC[C@H](C(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571317512 946611033 /nfs/dbraw/zinc/61/10/33/946611033.db2.gz KSUPRWNQRQJRRG-CHWSQXEVSA-N 1 0 392.533 1.399 20 0 GDADRO C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571317474 946611407 /nfs/dbraw/zinc/61/14/07/946611407.db2.gz JGCMIDDRQLKRCW-CHWSQXEVSA-N 1 0 392.529 1.663 20 0 GDADRO CC(C)C(=O)NCC[N@H+](C)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824185447 946613366 /nfs/dbraw/zinc/61/33/66/946613366.db2.gz ZYENPYLCXIRCHS-UHFFFAOYSA-N 1 0 382.472 1.471 20 0 GDADRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c(Cl)n1 ZINC001571317943 946624707 /nfs/dbraw/zinc/62/47/07/946624707.db2.gz ZRLBLSOHHKLYPM-KYZUINATSA-N 1 0 392.876 1.366 20 0 GDADRO Brc1ccc(-c2nn[nH]n2)c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001573280380 946660995 /nfs/dbraw/zinc/66/09/95/946660995.db2.gz SCXRMEXSZGCSFM-TXEJJXNPSA-N 1 0 379.262 1.904 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824377989 946675871 /nfs/dbraw/zinc/67/58/71/946675871.db2.gz VILRSUVRGSRMCN-NSHDSACASA-N 1 0 398.920 1.871 20 0 GDADRO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1)[NH+](C)C ZINC000824419635 946700406 /nfs/dbraw/zinc/70/04/06/946700406.db2.gz AXQGZGGFBYXRHO-JTQLQIEISA-N 1 0 389.851 1.777 20 0 GDADRO C[C@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824492483 946741797 /nfs/dbraw/zinc/74/17/97/946741797.db2.gz ZKYMZZOHYVCXDB-HNNXBMFYSA-N 1 0 386.504 1.207 20 0 GDADRO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573537665 946754336 /nfs/dbraw/zinc/75/43/36/946754336.db2.gz IQTINJKBESTZQR-GUYCJALGSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824548624 946793348 /nfs/dbraw/zinc/79/33/48/946793348.db2.gz YJABWPFWPDBZCO-ZDUSSCGKSA-N 1 0 378.502 1.026 20 0 GDADRO C[C@H]([NH2+]CC(=O)N1CCNC1=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824554725 946799951 /nfs/dbraw/zinc/79/99/51/946799951.db2.gz RIEHNBALWZWJBW-ZDUSSCGKSA-N 1 0 391.435 1.736 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562356 946801581 /nfs/dbraw/zinc/80/15/81/946801581.db2.gz GCXWYLXCPMMOMH-CYBMUJFWSA-N 1 0 384.415 1.852 20 0 GDADRO C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824584556 946830788 /nfs/dbraw/zinc/83/07/88/946830788.db2.gz BZLVRFOSTSVTFU-CYBMUJFWSA-N 1 0 383.456 1.772 20 0 GDADRO CCC(=O)N1CC[C@H]([NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825033971 947050254 /nfs/dbraw/zinc/05/02/54/947050254.db2.gz BKBVSEXSERETEJ-SFHVURJKSA-N 1 0 383.500 1.432 20 0 GDADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825342137 947159727 /nfs/dbraw/zinc/15/97/27/947159727.db2.gz NSKBLNUZHJNLMX-CYBMUJFWSA-N 1 0 378.502 1.722 20 0 GDADRO CCOCC[NH+]1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825598764 947251595 /nfs/dbraw/zinc/25/15/95/947251595.db2.gz BPQYLWVOYXEANA-UHFFFAOYSA-N 1 0 396.499 1.421 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573586794 947293214 /nfs/dbraw/zinc/29/32/14/947293214.db2.gz TYFVIIDDEVIEIW-KBPBESRZSA-N 1 0 382.472 1.340 20 0 GDADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)nc2)CC1 ZINC000825856094 947348196 /nfs/dbraw/zinc/34/81/96/947348196.db2.gz NSAVFXHETPFDHS-UHFFFAOYSA-N 1 0 381.444 1.373 20 0 GDADRO CN(CC[NH+](C)C)C(=O)Nc1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1 ZINC000825865626 947349115 /nfs/dbraw/zinc/34/91/15/947349115.db2.gz IRAORAPANMXFHO-UHFFFAOYSA-N 1 0 389.851 1.731 20 0 GDADRO C[NH+](C)CCn1cc(NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)ccc1=O ZINC000825870305 947353232 /nfs/dbraw/zinc/35/32/32/947353232.db2.gz GAGZUUCOIJXGOC-UHFFFAOYSA-N 1 0 389.366 1.121 20 0 GDADRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573592916 947356531 /nfs/dbraw/zinc/35/65/31/947356531.db2.gz OHUQGFUFVYBBGD-NVXWUHKLSA-N 1 0 379.468 1.962 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)C(C)(F)F ZINC001573597403 947436062 /nfs/dbraw/zinc/43/60/62/947436062.db2.gz OEDRXWHNGXFFSK-WCQYABFASA-N 1 0 382.415 1.067 20 0 GDADRO C[C@H](C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1)C(C)(F)F ZINC001573613476 947562934 /nfs/dbraw/zinc/56/29/34/947562934.db2.gz AYZTVLKGDHCVEL-MFKMUULPSA-N 1 0 379.415 1.624 20 0 GDADRO C[C@@H](C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573616481 947623197 /nfs/dbraw/zinc/62/31/97/947623197.db2.gz IVSQVLQWEHBMOA-DYVFJYSZSA-N 1 0 385.472 1.149 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccc1 ZINC001573617806 947641538 /nfs/dbraw/zinc/64/15/38/947641538.db2.gz NCEBWQHCSHNRPG-CJNGLKHVSA-N 1 0 383.431 1.759 20 0 GDADRO C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573618451 947652146 /nfs/dbraw/zinc/65/21/46/947652146.db2.gz SDDDAIZMKUTMNV-HZPDHXFCSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573618446 947652523 /nfs/dbraw/zinc/65/25/23/947652523.db2.gz SDDDAIZMKUTMNV-CVEARBPZSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573619608 947666418 /nfs/dbraw/zinc/66/64/18/947666418.db2.gz WEIXHKIBOHWAOQ-IUODEOHRSA-N 1 0 384.419 1.154 20 0 GDADRO CS[C@@H](CO)[C@H](C)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826227276 947667729 /nfs/dbraw/zinc/66/77/29/947667729.db2.gz OQKFYYLRQSTAGH-GUYCJALGSA-N 1 0 376.530 1.533 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@](CO)([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573628225 947748718 /nfs/dbraw/zinc/74/87/18/947748718.db2.gz GSJQODYOXHSZNF-VBKZILBWSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)C1CC1 ZINC001573628808 947765943 /nfs/dbraw/zinc/76/59/43/947765943.db2.gz KITZWLBOBPYFPU-KPZWWZAWSA-N 1 0 390.513 1.417 20 0 GDADRO CC(=O)CCCC(=O)N1CCCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573372936 947786092 /nfs/dbraw/zinc/78/60/92/947786092.db2.gz GDDDJYFDIUZAFG-OAHLLOKOSA-N 1 0 385.472 1.544 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573372899 947786745 /nfs/dbraw/zinc/78/67/45/947786745.db2.gz FMFPLUWISGJKGA-AWEZNQCLSA-N 1 0 388.447 1.703 20 0 GDADRO C[C@@H](C(=O)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001573630297 947791015 /nfs/dbraw/zinc/79/10/15/947791015.db2.gz XSZRYGPYSLLDJF-GJZGRUSLSA-N 1 0 380.456 1.539 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573632106 947809188 /nfs/dbraw/zinc/80/91/88/947809188.db2.gz YZRHWZGJVXJXAE-JLTOFOAXSA-N 1 0 384.484 1.356 20 0 GDADRO CC(=O)CCCC(=O)N1CCC(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573375015 947814350 /nfs/dbraw/zinc/81/43/50/947814350.db2.gz PZCLDJYKFXHFIW-UHFFFAOYSA-N 1 0 385.472 1.402 20 0 GDADRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573638017 947831882 /nfs/dbraw/zinc/83/18/82/947831882.db2.gz YPYBTZSKTBLMKS-YJBOKZPZSA-N 1 0 384.484 1.716 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573376279 947834296 /nfs/dbraw/zinc/83/42/96/947834296.db2.gz XIZVFHUTHDRQJL-INIZCTEOSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573378053 947854024 /nfs/dbraw/zinc/85/40/24/947854024.db2.gz VGJMTXYQKLJKJZ-LSDHHAIUSA-N 1 0 385.472 1.742 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccn1 ZINC001573645924 947871718 /nfs/dbraw/zinc/87/17/18/947871718.db2.gz DASLWPXRAGXDGC-FHLIZLRMSA-N 1 0 392.467 1.357 20 0 GDADRO CC(=O)CCCC(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573382651 947886429 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1 0 380.399 1.229 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccon1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574917173 948811085 /nfs/dbraw/zinc/81/10/85/948811085.db2.gz SSTSKTCYUCFTDX-LBPRGKRZSA-N 1 0 387.419 1.563 20 0 GDADRO C[C@@H](CNC(=O)CCCn1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574918844 948862922 /nfs/dbraw/zinc/86/29/22/948862922.db2.gz RPRPYMBBNRIWBR-ZDUSSCGKSA-N 1 0 386.435 1.277 20 0 GDADRO C[C@H](CNC(=O)CCc1nccs1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920148 948886275 /nfs/dbraw/zinc/88/62/75/948886275.db2.gz DMMRSRBMNLIMEW-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@H](CNC(=O)CCc1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920441 948902209 /nfs/dbraw/zinc/90/22/09/948902209.db2.gz LIUWRGRCGGMZAZ-SNVBAGLBSA-N 1 0 377.499 1.612 20 0 GDADRO C[C@@H](CNC(=O)CCc1cnn(C)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920428 948903250 /nfs/dbraw/zinc/90/32/50/948903250.db2.gz LACJUCXTNYFFBC-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)(C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573765319 948904382 /nfs/dbraw/zinc/90/43/82/948904382.db2.gz YBDXRRDNBCIZJX-CQSZACIVSA-N 1 0 378.440 1.069 20 0 GDADRO CC(C)(C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573765479 948912449 /nfs/dbraw/zinc/91/24/49/948912449.db2.gz JMEHFEJYNJLHSV-QGZVFWFLSA-N 1 0 384.484 1.620 20 0 GDADRO CC(C)(C(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+]1CCCCC1 ZINC001573765497 948913603 /nfs/dbraw/zinc/91/36/03/948913603.db2.gz KVIMLUORQGXJKK-UHFFFAOYSA-N 1 0 383.500 1.780 20 0 GDADRO CC(C)c1nn(C)cc1C(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433107 948946412 /nfs/dbraw/zinc/94/64/12/948946412.db2.gz GZFOTJIPRSCXOB-UHFFFAOYSA-N 1 0 383.460 1.327 20 0 GDADRO CC(C)c1nccn1CC(=O)NCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574433337 948951915 /nfs/dbraw/zinc/95/19/15/948951915.db2.gz UVUGZHFCLAJGKO-UHFFFAOYSA-N 1 0 382.472 1.435 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2ncc(-c3nn[nH]n3)cc2F)CC1)[NH+]1CCCC1 ZINC001573779867 949071274 /nfs/dbraw/zinc/07/12/74/949071274.db2.gz OHXJZCYQZHCPKR-UHFFFAOYSA-N 1 0 388.451 1.336 20 0 GDADRO C[C@@H](CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1)[N@H+](C)Cc1ccccc1 ZINC001574929087 949076586 /nfs/dbraw/zinc/07/65/86/949076586.db2.gz XVOLTDLTJUTWSQ-AWEZNQCLSA-N 1 0 380.456 1.310 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001575249432 949098034 /nfs/dbraw/zinc/09/80/34/949098034.db2.gz BUOYGFKCIQOGFZ-CHWSQXEVSA-N 1 0 387.492 1.226 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1)[NH+]1CCCC1 ZINC001574694987 949101495 /nfs/dbraw/zinc/10/14/95/949101495.db2.gz YICHQQYQFHGQDM-BBRMVZONSA-N 1 0 387.492 1.036 20 0 GDADRO C[C@H](CNC(=O)COCc1cccnc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574931774 949125497 /nfs/dbraw/zinc/12/54/97/949125497.db2.gz SBWKGISJVYTTRF-CQSZACIVSA-N 1 0 381.440 1.073 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1F)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574934458 949162959 /nfs/dbraw/zinc/16/29/59/949162959.db2.gz INCSIIDGAWDXNQ-GFCCVEGCSA-N 1 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CC(C)n1cc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)cn1 ZINC001574454766 949287678 /nfs/dbraw/zinc/28/76/78/949287678.db2.gz CXLGWRGUQKJPRM-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001574454923 949287859 /nfs/dbraw/zinc/28/78/59/949287859.db2.gz GZNWUTQVSJEIKC-JOCQHMNTSA-N 1 0 386.485 1.756 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574702784 949292144 /nfs/dbraw/zinc/29/21/44/949292144.db2.gz LQQNMNAFZLWQLU-YJYMSZOUSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](c1ncccn1)[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001575524207 949312030 /nfs/dbraw/zinc/31/20/30/949312030.db2.gz STGPVONPMOTBFS-YRGRVCCFSA-N 1 0 381.444 1.044 20 0 GDADRO CC(C)n1ccc(C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC001574458118 949334533 /nfs/dbraw/zinc/33/45/33/949334533.db2.gz PHMWHPVNIYTQJW-UHFFFAOYSA-N 1 0 380.456 1.696 20 0 GDADRO CC(C)n1ccc(CC(=O)N(C)CCN(C)c2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001574459457 949357380 /nfs/dbraw/zinc/35/73/80/949357380.db2.gz HHGCLAPQRRXUTH-UHFFFAOYSA-N 1 0 383.460 1.176 20 0 GDADRO C[C@H](NC(=O)C1CC(F)(F)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260982 949366521 /nfs/dbraw/zinc/36/65/21/949366521.db2.gz ZCDYXSFGJVZMAW-NSHDSACASA-N 1 0 376.411 1.849 20 0 GDADRO C[C@H](NC(=O)[C@H]1CCCOC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575262736 949379419 /nfs/dbraw/zinc/37/94/19/949379419.db2.gz BTGFNJAYFONBNI-JSGCOSHPSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@@H](CNC(=O)Cc1cscn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574944857 949400918 /nfs/dbraw/zinc/40/09/18/949400918.db2.gz HJVBCFUGZUTNPZ-JTQLQIEISA-N 1 0 375.433 1.299 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001574464313 949406973 /nfs/dbraw/zinc/40/69/73/949406973.db2.gz JXYUYRXEYISGLI-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263777 949408548 /nfs/dbraw/zinc/40/85/48/949408548.db2.gz JKJCGRBFSOILCC-PXAZEXFGSA-N 1 0 387.463 1.037 20 0 GDADRO CC1(C(=O)N2CCC([N@H+](CCO)Cc3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC001575533166 949409594 /nfs/dbraw/zinc/40/95/94/949409594.db2.gz DUKXEIAVMLLISJ-UHFFFAOYSA-N 1 0 384.484 1.452 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574704923 949414099 /nfs/dbraw/zinc/41/40/99/949414099.db2.gz GFGMSNAQAZCFSH-BDAKNGLRSA-N 1 0 384.897 1.330 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574468097 949457835 /nfs/dbraw/zinc/45/78/35/949457835.db2.gz JGKQFKFIAYEFRD-UHFFFAOYSA-N 1 0 388.501 1.910 20 0 GDADRO CC(C)n1nccc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574469213 949476047 /nfs/dbraw/zinc/47/60/47/949476047.db2.gz YUIIPBFXXXCAQD-LBPRGKRZSA-N 1 0 386.485 1.710 20 0 GDADRO C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nn[nH]n1)NC(=O)CC[NH+](C)C ZINC001576157714 949490899 /nfs/dbraw/zinc/49/08/99/949490899.db2.gz RRKXMCNLDWFZFQ-SCLBCKFNSA-N 1 0 387.492 1.085 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2=COCCO2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575871509 949517028 /nfs/dbraw/zinc/51/70/28/949517028.db2.gz ADCQHWQLIIOQLS-WCQYABFASA-N 1 0 390.469 1.286 20 0 GDADRO CC1(C(=O)N2CCC[C@](CO)([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCC1 ZINC001575539315 949540919 /nfs/dbraw/zinc/54/09/19/949540919.db2.gz OTIRIYJRQBPXHF-FQEVSTJZSA-N 1 0 384.484 1.500 20 0 GDADRO C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575872340 949543918 /nfs/dbraw/zinc/54/39/18/949543918.db2.gz IAZZWKFRDCUSQO-ZFWWWQNUSA-N 1 0 384.488 1.220 20 0 GDADRO C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575872659 949552719 /nfs/dbraw/zinc/55/27/19/949552719.db2.gz KRVRXDPZMRNDSM-UKRRQHHQSA-N 1 0 384.488 1.077 20 0 GDADRO C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576164281 949553464 /nfs/dbraw/zinc/55/34/64/949553464.db2.gz GOQHPTVSYYAUGC-WBOJAVRRSA-N 1 0 385.472 1.338 20 0 GDADRO C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576164551 949555261 /nfs/dbraw/zinc/55/52/61/949555261.db2.gz HEGCEELPLOWGJF-CXAGYDPISA-N 1 0 383.456 1.417 20 0 GDADRO C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576164515 949555673 /nfs/dbraw/zinc/55/56/73/949555673.db2.gz GVLXPKWWPXNMGE-WMLDXEAASA-N 1 0 386.500 1.744 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574955203 949566572 /nfs/dbraw/zinc/56/65/72/949566572.db2.gz CGSIZNJZPCDEJL-WOSRLPQWSA-N 1 0 389.479 1.283 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575873640 949580331 /nfs/dbraw/zinc/58/03/31/949580331.db2.gz BGUBHORDWUPBEA-BEFAXECRSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574712475 949581697 /nfs/dbraw/zinc/58/16/97/949581697.db2.gz SRJVUCYCNNADOK-JSGCOSHPSA-N 1 0 378.440 1.067 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cn[nH]n1 ZINC001573810997 949584516 /nfs/dbraw/zinc/58/45/16/949584516.db2.gz GKXBKBHKOXHQJE-CQSZACIVSA-N 1 0 387.423 1.058 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]CC1CCOCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573811100 949589540 /nfs/dbraw/zinc/58/95/40/949589540.db2.gz HPUVQRIFXDCQBH-HNNXBMFYSA-N 1 0 375.477 1.356 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1cccn1 ZINC001573811152 949592746 /nfs/dbraw/zinc/59/27/46/949592746.db2.gz IHHILOOMFGLXFJ-INIZCTEOSA-N 1 0 382.472 1.384 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cccnn1 ZINC001573811283 949594952 /nfs/dbraw/zinc/59/49/52/949594952.db2.gz JBHFHNDRGNBPDH-MRXNPFEDSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOC1 ZINC001573811188 949595500 /nfs/dbraw/zinc/59/55/00/949595500.db2.gz IPXUYGXPYGAGBH-WBVHZDCISA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573811551 949599027 /nfs/dbraw/zinc/59/90/27/949599027.db2.gz LKWUOZBZIBXFIL-OSRDXIQISA-N 1 0 390.513 1.441 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574713168 949600362 /nfs/dbraw/zinc/60/03/62/949600362.db2.gz WCYHKAUHXUGLOV-WFASDCNBSA-N 1 0 379.424 1.119 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573811550 949601907 /nfs/dbraw/zinc/60/19/07/949601907.db2.gz LKWUOZBZIBXFIL-MYZSUADSSA-N 1 0 390.513 1.441 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574957353 949609632 /nfs/dbraw/zinc/60/96/32/949609632.db2.gz VZUZBWFNIOYGHH-WOSRLPQWSA-N 1 0 389.479 1.283 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cocn1 ZINC001573812140 949614621 /nfs/dbraw/zinc/61/46/21/949614621.db2.gz QHYWYNVHQAOWCP-HNNXBMFYSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[C@H]1CCOC1 ZINC001573812146 949614748 /nfs/dbraw/zinc/61/47/48/949614748.db2.gz QIRHKUUFKOPBMY-PBHICJAKSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)C[C@H]1CCOC1 ZINC001573812392 949617972 /nfs/dbraw/zinc/61/79/72/949617972.db2.gz RGKPIZTVWFWHRV-WBVHZDCISA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1c[nH]cn1 ZINC001573812944 949625741 /nfs/dbraw/zinc/62/57/41/949625741.db2.gz WJCJLUNYQHROGM-AWEZNQCLSA-N 1 0 388.501 1.515 20 0 GDADRO C[C@]1(C(=O)N2CCCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CCCOC1 ZINC001575547497 949625989 /nfs/dbraw/zinc/62/59/89/949625989.db2.gz XMSKPGARGBLWPR-LIRRHRJNSA-N 1 0 385.472 1.293 20 0 GDADRO C[C@H](CN(C)C(=O)CC[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574715035 949636463 /nfs/dbraw/zinc/63/64/63/949636463.db2.gz ADNALBCAXAFKHH-OLZOCXBDSA-N 1 0 378.502 1.681 20 0 GDADRO C[C@@H](NC(=O)CCCC[NH+]1CCCC1)[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575272299 949639057 /nfs/dbraw/zinc/63/90/57/949639057.db2.gz OPNSQCRNZWWTRL-LSDHHAIUSA-N 1 0 386.504 1.833 20 0 GDADRO C[C@@H](CC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001574477266 949645821 /nfs/dbraw/zinc/64/58/21/949645821.db2.gz PNDSGTRIPIUVRK-YOEHRIQHSA-N 1 0 387.488 1.752 20 0 GDADRO CC(C)CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574129845 949649755 /nfs/dbraw/zinc/64/97/55/949649755.db2.gz ZMIFKKUHKAQAMF-CQSZACIVSA-N 1 0 392.479 1.645 20 0 GDADRO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1ncccc1-c1nn[nH]n1 ZINC001576168960 949657143 /nfs/dbraw/zinc/65/71/43/949657143.db2.gz DEEYEMLWZUBEQP-GDBMZVCRSA-N 1 0 386.504 1.643 20 0 GDADRO C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575273266 949659279 /nfs/dbraw/zinc/65/92/79/949659279.db2.gz VEHMCXZJVMCBLR-IUCAKERBSA-N 1 0 386.913 1.624 20 0 GDADRO C[C@@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575273258 949660280 /nfs/dbraw/zinc/66/02/80/949660280.db2.gz UZSQQXVNEPFFCF-UONOGXRCSA-N 1 0 380.456 1.407 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574716339 949688121 /nfs/dbraw/zinc/68/81/21/949688121.db2.gz JPPZNMNFJDCLFE-STQMWFEESA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cc1cccnc1 ZINC001573817957 949708321 /nfs/dbraw/zinc/70/83/21/949708321.db2.gz CHDANPFRTXHXQY-INIZCTEOSA-N 1 0 380.456 1.264 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cc2ccon2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575881752 949734919 /nfs/dbraw/zinc/73/49/19/949734919.db2.gz AKMVAAKWIZYUHU-CXAGYDPISA-N 1 0 381.440 1.567 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001574962851 949739598 /nfs/dbraw/zinc/73/95/98/949739598.db2.gz CUCAJHIYSCBCMK-AVGNSLFASA-N 1 0 390.467 1.295 20 0 GDADRO C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575277169 949740006 /nfs/dbraw/zinc/74/00/06/949740006.db2.gz OLIABDNHOKWVBZ-CHWSQXEVSA-N 1 0 383.431 1.761 20 0 GDADRO C[C@@H](CN(C)C(=O)C[C@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574717735 949743900 /nfs/dbraw/zinc/74/39/00/949743900.db2.gz WUXWCODXSCYATD-STQMWFEESA-N 1 0 388.501 1.713 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576171262 949756693 /nfs/dbraw/zinc/75/66/93/949756693.db2.gz PXWXLDZQOZRFKH-PBHICJAKSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cc2c[nH]cn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575882778 949788043 /nfs/dbraw/zinc/78/80/43/949788043.db2.gz NXKXSLYQWUQFKK-SUMWQHHRSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@@H](NC(=O)CCc1cccnc1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575279763 949790103 /nfs/dbraw/zinc/79/01/03/949790103.db2.gz ZPNFTXGBIYANEP-OAHLLOKOSA-N 1 0 391.479 1.831 20 0 GDADRO C[C@H](CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574481635 949793434 /nfs/dbraw/zinc/79/34/34/949793434.db2.gz SLIYMGRDLWSEHM-MNOVXSKESA-N 1 0 383.378 1.533 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574138486 949795472 /nfs/dbraw/zinc/79/54/72/949795472.db2.gz DZRLETXMKFGYKH-CABCVRRESA-N 1 0 389.504 1.698 20 0 GDADRO C[C@H]1[C@H](NC(=O)Cn2cccn2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575883155 949804111 /nfs/dbraw/zinc/80/41/11/949804111.db2.gz PVMVYFUFCSXRNJ-WMLDXEAASA-N 1 0 380.456 1.233 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001574481955 949814607 /nfs/dbraw/zinc/81/46/07/949814607.db2.gz XXORCQYKAMAXPC-STQMWFEESA-N 1 0 386.485 1.467 20 0 GDADRO C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1ccnc1 ZINC001574481981 949816682 /nfs/dbraw/zinc/81/66/82/949816682.db2.gz YHYUZYPNUTYWRQ-OLZOCXBDSA-N 1 0 386.485 1.467 20 0 GDADRO CC(C)C[C@@H](C)C[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574139542 949817857 /nfs/dbraw/zinc/81/78/57/949817857.db2.gz KDYDEZOXSGWXTK-ZBFHGGJFSA-N 1 0 389.504 1.698 20 0 GDADRO CC(C)C[C@H](C)C[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574139541 949820293 /nfs/dbraw/zinc/82/02/93/949820293.db2.gz KDYDEZOXSGWXTK-HOCLYGCPSA-N 1 0 389.504 1.698 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ncccn2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576177846 949858995 /nfs/dbraw/zinc/85/89/95/949858995.db2.gz CGGVLTCQPHXSHE-WMLDXEAASA-N 1 0 392.467 1.687 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1cncn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574724964 949886659 /nfs/dbraw/zinc/88/66/59/949886659.db2.gz NAGRRKBGTXOGAV-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccncn2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576178384 949889295 /nfs/dbraw/zinc/88/92/95/949889295.db2.gz BCUGVIAYBHFKDH-RDTXWAMCSA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576178835 949902037 /nfs/dbraw/zinc/90/20/37/949902037.db2.gz CXDQLZDOOVKWCP-SMDDNHRTSA-N 1 0 384.469 1.493 20 0 GDADRO C[C@H]1[C@@H](NC(=O)Cc2cnoc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575887657 949905434 /nfs/dbraw/zinc/90/54/34/949905434.db2.gz ZGKVJERMOQXYQG-GUYCJALGSA-N 1 0 381.440 1.567 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574725905 949914384 /nfs/dbraw/zinc/91/43/84/949914384.db2.gz VQRAJSGFNDGAPN-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575284862 949922654 /nfs/dbraw/zinc/92/26/54/949922654.db2.gz KNERDNDEJDDHJH-MNOVXSKESA-N 1 0 378.868 1.316 20 0 GDADRO CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCOCC1 ZINC001574145380 949925572 /nfs/dbraw/zinc/92/55/72/949925572.db2.gz SDXAUTJAMWUJSW-AWEZNQCLSA-N 1 0 389.504 1.746 20 0 GDADRO C[C@@H](CN(C)C(=O)CCc1ncccn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574726280 949935608 /nfs/dbraw/zinc/93/56/08/949935608.db2.gz YOEFCUNEAYYFKE-AWEZNQCLSA-N 1 0 380.456 1.226 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C2CC2)CCOC1 ZINC001575571843 949965126 /nfs/dbraw/zinc/96/51/26/949965126.db2.gz BFKJOHVIHGFFAJ-VQIMIIECSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@H](NC(=O)CCn1ccnc1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575286263 949975116 /nfs/dbraw/zinc/97/51/16/949975116.db2.gz VGIPYMQXXYXWSR-AWEZNQCLSA-N 1 0 380.456 1.090 20 0 GDADRO C[C@H]1CCN(C(=O)Cc2ccco2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180918 949981880 /nfs/dbraw/zinc/98/18/80/949981880.db2.gz FZHKVMLNNKHDMI-UONOGXRCSA-N 1 0 381.440 1.416 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2cccn2C)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575891107 949983915 /nfs/dbraw/zinc/98/39/15/949983915.db2.gz DYHHDBNTJAFSNA-PBHICJAKSA-N 1 0 379.468 1.988 20 0 GDADRO CC(C)(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573831446 950000545 /nfs/dbraw/zinc/00/05/45/950000545.db2.gz YMXWPDFUPGMNLZ-OAHLLOKOSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCOC1 ZINC001575574073 950011523 /nfs/dbraw/zinc/01/15/23/950011523.db2.gz RQOQMHKOBRHKMB-CXAGYDPISA-N 1 0 376.486 1.339 20 0 GDADRO CC(C)C[C@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574150309 950025476 /nfs/dbraw/zinc/02/54/76/950025476.db2.gz BESWKDKYXNYCKF-CABCVRRESA-N 1 0 375.477 1.498 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccon1 ZINC001574150900 950044312 /nfs/dbraw/zinc/04/43/12/950044312.db2.gz GNPPJZACVBVRRA-CYBMUJFWSA-N 1 0 387.419 1.928 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574731403 950046131 /nfs/dbraw/zinc/04/61/31/950046131.db2.gz DCBWWQBNEBPDGC-DMDPSCGWSA-N 1 0 392.895 1.514 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cccnn1 ZINC001574151030 950049198 /nfs/dbraw/zinc/04/91/98/950049198.db2.gz JTZHSYGRFJSFNJ-INIZCTEOSA-N 1 0 380.456 1.591 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576182383 950052983 /nfs/dbraw/zinc/05/29/83/950052983.db2.gz OHCOSFZFAZOVPE-GUYCJALGSA-N 1 0 378.440 1.431 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1ccnc1 ZINC001574492057 950054222 /nfs/dbraw/zinc/05/42/22/950054222.db2.gz IRGCRHAOERKZRB-YOEHRIQHSA-N 1 0 380.456 1.405 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@]1(C)CCOC1 ZINC001574151332 950068930 /nfs/dbraw/zinc/06/89/30/950068930.db2.gz PJNGQSOSDCXHHO-XLIONFOSSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573836295 950079310 /nfs/dbraw/zinc/07/93/10/950079310.db2.gz JPIADVJSXWDKHS-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576183305 950081284 /nfs/dbraw/zinc/08/12/84/950081284.db2.gz PDXLGJRYPCOZGY-CABCVRRESA-N 1 0 386.504 1.500 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCOC1 ZINC001574151601 950083505 /nfs/dbraw/zinc/08/35/05/950083505.db2.gz WCHARPLIUIEGAK-GJZGRUSLSA-N 1 0 390.463 1.663 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CCc1ccc(F)c(F)c1 ZINC001574976685 950089490 /nfs/dbraw/zinc/08/94/90/950089490.db2.gz YTSVXZCMSCVOLV-NSHDSACASA-N 1 0 389.410 1.766 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1ccn[nH]1 ZINC001574151799 950092571 /nfs/dbraw/zinc/09/25/71/950092571.db2.gz YJCDQVXZRQDIOU-CQSZACIVSA-N 1 0 386.435 1.663 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576183670 950098092 /nfs/dbraw/zinc/09/80/92/950098092.db2.gz SFUIXULIUXRJML-SUMWQHHRSA-N 1 0 378.440 1.431 20 0 GDADRO CC(C)(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573837519 950111850 /nfs/dbraw/zinc/11/18/50/950111850.db2.gz ZVZUQXJRTJFFRE-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574152739 950117687 /nfs/dbraw/zinc/11/76/87/950117687.db2.gz JAKLKJRWTXVXKC-HOCLYGCPSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574734144 950126269 /nfs/dbraw/zinc/12/62/69/950126269.db2.gz JUORSIYXTBLONE-XTENKEOPSA-N 1 0 382.468 1.227 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1ncc[nH]1 ZINC001574153057 950126397 /nfs/dbraw/zinc/12/63/97/950126397.db2.gz MDZMZKBDVLJUFW-INIZCTEOSA-N 1 0 382.472 1.453 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCOC1 ZINC001574153184 950130123 /nfs/dbraw/zinc/13/01/23/950130123.db2.gz OVQHIZFBGLQCJF-RDJZCZTQSA-N 1 0 386.500 1.914 20 0 GDADRO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1cnccn1 ZINC001574153257 950135163 /nfs/dbraw/zinc/13/51/63/950135163.db2.gz QKJWKBCRJGDAQE-OAHLLOKOSA-N 1 0 380.456 1.591 20 0 GDADRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@]1(C)CCOC1 ZINC001574153290 950139618 /nfs/dbraw/zinc/13/96/18/950139618.db2.gz RBJVJOKKEBVFQV-JXFKEZNVSA-N 1 0 386.500 1.914 20 0 GDADRO CC1(C(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575583794 950154162 /nfs/dbraw/zinc/15/41/62/950154162.db2.gz NTUSUXQGJLOGSR-AWEZNQCLSA-N 1 0 385.472 1.411 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CCOC1 ZINC001575584039 950158995 /nfs/dbraw/zinc/15/89/95/950158995.db2.gz OLLHDWXKJJXOFV-UZLBHIALSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@@]1(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)CCCOC1 ZINC001575584193 950166932 /nfs/dbraw/zinc/16/69/32/950166932.db2.gz WRHOKNGLCORVDS-GOSISDBHSA-N 1 0 385.472 1.341 20 0 GDADRO C[C@H](CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574494586 950168441 /nfs/dbraw/zinc/16/84/41/950168441.db2.gz LQKGPVDVIJFHOQ-RNCFNFMXSA-N 1 0 383.378 1.579 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]nc1C1CC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574982527 950171894 /nfs/dbraw/zinc/17/18/94/950171894.db2.gz DZJMXCXABQMNCI-GFCCVEGCSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575899904 950186277 /nfs/dbraw/zinc/18/62/77/950186277.db2.gz AWVLAYYCCSNFGR-HZMBPMFUSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cnccn2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576191431 950195895 /nfs/dbraw/zinc/19/58/95/950195895.db2.gz GHYVIPTXENVKIB-RHSMWYFYSA-N 1 0 392.467 1.545 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575901149 950218412 /nfs/dbraw/zinc/21/84/12/950218412.db2.gz LSVSDLWGTKNGOX-SMDDNHRTSA-N 1 0 384.469 1.501 20 0 GDADRO CC(C)(C)CC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573845348 950226799 /nfs/dbraw/zinc/22/67/99/950226799.db2.gz XPTWRBLBSAOBTQ-CQSZACIVSA-N 1 0 389.504 1.530 20 0 GDADRO C[C@@H](CN(C)C(=O)c1[nH]cnc1C(C)(C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574740698 950227776 /nfs/dbraw/zinc/22/77/76/950227776.db2.gz FCBAFTWYECNYKK-NSHDSACASA-N 1 0 383.460 1.277 20 0 GDADRO CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573845809 950241209 /nfs/dbraw/zinc/24/12/09/950241209.db2.gz MVTBDICQWHIMEY-SGMGOOAPSA-N 1 0 392.529 1.567 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)cc(F)c2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575902423 950258252 /nfs/dbraw/zinc/25/82/52/950258252.db2.gz USHKZZDCRUDCBG-MEBBXXQBSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+]Cc1cccc2nsnc21 ZINC001574984167 950263523 /nfs/dbraw/zinc/26/35/23/950263523.db2.gz WFQQLQPZRHYOSR-SECBINFHSA-N 1 0 383.441 1.108 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)C1=CCOCC1 ZINC001575902632 950265316 /nfs/dbraw/zinc/26/53/16/950265316.db2.gz WAUPCOWPJXZHNO-YVEFUNNKSA-N 1 0 386.431 1.432 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cccnc1 ZINC001575903157 950273345 /nfs/dbraw/zinc/27/33/45/950273345.db2.gz YQJDSSBHOHADAR-SJCJKPOMSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cn(C)cn1 ZINC001575903212 950277448 /nfs/dbraw/zinc/27/74/48/950277448.db2.gz YWNQOQQUAOPKGD-XHDPSFHLSA-N 1 0 384.419 1.132 20 0 GDADRO CC(C)[C@@H](CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1)[NH+]1CCC(C)CC1 ZINC001576193074 950282985 /nfs/dbraw/zinc/28/29/85/950282985.db2.gz RPOKYFUXANKWCC-MRXNPFEDSA-N 1 0 386.504 1.546 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(F)(F)F ZINC001574498885 950291160 /nfs/dbraw/zinc/29/11/60/950291160.db2.gz QSOADKPUHUNGBH-MFKMUULPSA-N 1 0 386.378 1.022 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccncn1 ZINC001575905437 950293208 /nfs/dbraw/zinc/29/32/08/950293208.db2.gz CKKOJHHVPGFAQB-IAQYHMDHSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575905771 950299118 /nfs/dbraw/zinc/29/91/18/950299118.db2.gz FHYFYCCCXSCJNN-PWSUYJOCSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCc1c[nH]cn1 ZINC001575905766 950301109 /nfs/dbraw/zinc/30/11/09/950301109.db2.gz FEYBVOTUWXLYSE-FZMZJTMJSA-N 1 0 386.485 1.363 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccsn1 ZINC001575905796 950302083 /nfs/dbraw/zinc/30/20/83/950302083.db2.gz FPKHSRSIPFEGOH-YGRLFVJLSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575906882 950322937 /nfs/dbraw/zinc/32/29/37/950322937.db2.gz KILNMOIVEIHTOL-MFKMUULPSA-N 1 0 385.453 1.422 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ccsn1 ZINC001575906992 950328332 /nfs/dbraw/zinc/32/83/32/950328332.db2.gz LNDYAGMQLSRKRM-KOLCDFICSA-N 1 0 375.483 1.778 20 0 GDADRO C[C@H](CC(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574501428 950328605 /nfs/dbraw/zinc/32/86/05/950328605.db2.gz DAPFCNLJZGPQOQ-XYBNCVKDSA-N 1 0 380.456 1.477 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1CCOCC1 ZINC001575907220 950331447 /nfs/dbraw/zinc/33/14/47/950331447.db2.gz NAOICQOYHZJPFF-PXAZEXFGSA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cscn1 ZINC001575907825 950347026 /nfs/dbraw/zinc/34/70/26/950347026.db2.gz RGARCSKZZLUWRS-IINYFYTJSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1cscn1 ZINC001575907827 950347421 /nfs/dbraw/zinc/34/74/21/950347421.db2.gz RGARCSKZZLUWRS-YGRLFVJLSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001574989158 950361399 /nfs/dbraw/zinc/36/13/99/950361399.db2.gz YDBGLVRIBBHTRN-ONGXEEELSA-N 1 0 386.287 1.829 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cnns1 ZINC001575908541 950370173 /nfs/dbraw/zinc/37/01/73/950370173.db2.gz UXGLFKJRKOWDLF-SCZZXKLOSA-N 1 0 376.471 1.173 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccncc2Cl)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908816 950377105 /nfs/dbraw/zinc/37/71/05/950377105.db2.gz FDFWBDNRTGBAHU-IINYFYTJSA-N 1 0 386.847 1.636 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001575908753 950378003 /nfs/dbraw/zinc/37/80/03/950378003.db2.gz DSODVUCFIPRKHW-GWCFXTLKSA-N 1 0 385.453 1.422 20 0 GDADRO CC1CC[NH+](CC(=O)N2CC[C@H](N(C)c3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001576196930 950379656 /nfs/dbraw/zinc/37/96/56/950379656.db2.gz JJEGACYITVMXNU-INIZCTEOSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@@H](CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001574502663 950383474 /nfs/dbraw/zinc/38/34/74/950383474.db2.gz PFRFOJKANLBWMD-AWEZNQCLSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@H](CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574503034 950399597 /nfs/dbraw/zinc/39/95/97/950399597.db2.gz SKDMEBCMIQPGAR-CQSZACIVSA-N 1 0 380.456 1.263 20 0 GDADRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573857492 950403848 /nfs/dbraw/zinc/40/38/48/950403848.db2.gz SDVOYGOMDCDSIR-SWLSCSKDSA-N 1 0 392.435 1.323 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(O)ccc1Cl ZINC001574747133 950406062 /nfs/dbraw/zinc/40/60/62/950406062.db2.gz REQFCERWVITXIK-SNVBAGLBSA-N 1 0 389.847 1.804 20 0 GDADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNc2ncncc2-c2nn[nH]n2)CC1 ZINC001573860360 950420495 /nfs/dbraw/zinc/42/04/95/950420495.db2.gz HNXZNKVKHXGMMH-UHFFFAOYSA-N 1 0 389.464 1.058 20 0 GDADRO C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2-c2nn[nH]n2)CCOC1 ZINC001575600128 950436842 /nfs/dbraw/zinc/43/68/42/950436842.db2.gz SAZRVWHXMCIMKM-HLIPFELVSA-N 1 0 384.484 1.810 20 0 GDADRO CC(C)C[C@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574163823 950438443 /nfs/dbraw/zinc/43/84/43/950438443.db2.gz YXCATHPODPYUBX-HIFRSBDPSA-N 1 0 389.508 1.186 20 0 GDADRO C[C@@H](CCNC(=O)C[C@H](C)n1ccnc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574508125 950469779 /nfs/dbraw/zinc/46/97/79/950469779.db2.gz IXLYKKATRGTJSY-GJZGRUSLSA-N 1 0 382.472 1.699 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncn1 ZINC001575912899 950469925 /nfs/dbraw/zinc/46/99/25/950469925.db2.gz RKPJKHQEWBQHHM-KSSFIOAISA-N 1 0 392.467 1.369 20 0 GDADRO CC(C)CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)CCC1 ZINC001574166779 950475153 /nfs/dbraw/zinc/47/51/53/950475153.db2.gz ZEAJQRXGRRYEQK-INIZCTEOSA-N 1 0 386.500 1.650 20 0 GDADRO CC(C)CCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574167557 950484396 /nfs/dbraw/zinc/48/43/96/950484396.db2.gz DYHUDMMIAWYIMG-HNNXBMFYSA-N 1 0 392.479 1.693 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574752468 950487973 /nfs/dbraw/zinc/48/79/73/950487973.db2.gz XDIHSGRUQVEFGN-ZDUSSCGKSA-N 1 0 379.468 1.934 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1ncccn1 ZINC001575913770 950488792 /nfs/dbraw/zinc/48/87/92/950488792.db2.gz TXAMYVHFFYNVGD-WMLDXEAASA-N 1 0 392.467 1.369 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001576205386 950515361 /nfs/dbraw/zinc/51/53/61/950515361.db2.gz IITBTVKDNXWVSY-GDBMZVCRSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574995672 950517845 /nfs/dbraw/zinc/51/78/45/950517845.db2.gz GJRYKYZSOJJYHA-LBPRGKRZSA-N 1 0 382.472 1.795 20 0 GDADRO CC(C)c1cc(C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)n(C)n1 ZINC001574996345 950525002 /nfs/dbraw/zinc/52/50/02/950525002.db2.gz LSFTXSARSBKUKH-ZDUSSCGKSA-N 1 0 382.472 1.632 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ccncc1F ZINC001575915897 950525871 /nfs/dbraw/zinc/52/58/71/950525871.db2.gz XUIHOEULEJAXBI-SJKOYZFVSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576205506 950526170 /nfs/dbraw/zinc/52/61/70/950526170.db2.gz ZGANEUVGAHSJOB-STQMWFEESA-N 1 0 390.467 1.438 20 0 GDADRO C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cnn(C)c1 ZINC001574509803 950532774 /nfs/dbraw/zinc/53/27/74/950532774.db2.gz XZMWHTMUMSVGCB-NEPJUHHUSA-N 1 0 388.501 1.450 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)CCCOC1 ZINC001575614773 950551878 /nfs/dbraw/zinc/55/18/78/950551878.db2.gz PKSVSOPQNBNCBN-NHAYFPRASA-N 1 0 382.468 1.230 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1ccc(F)cc1Cl ZINC001574997743 950553595 /nfs/dbraw/zinc/55/35/95/950553595.db2.gz XZLNTNGTRGLRPL-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001576206224 950565704 /nfs/dbraw/zinc/56/57/04/950565704.db2.gz VQUSZKOOFYMILM-AWEZNQCLSA-N 1 0 389.529 1.351 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCC2(Nc3ccc(-c4nn[nH]n4)cn3)CCCC2)C1 ZINC001576206568 950571984 /nfs/dbraw/zinc/57/19/84/950571984.db2.gz XQAICFQCRIXOGB-AWEZNQCLSA-N 1 0 384.488 1.444 20 0 GDADRO CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575615810 950577133 /nfs/dbraw/zinc/57/71/33/950577133.db2.gz IHHUAHKWITWVTR-HNNXBMFYSA-N 1 0 386.500 1.506 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCN2c2ncccc2-c2nn[nH]n2)C1 ZINC001576206866 950582162 /nfs/dbraw/zinc/58/21/62/950582162.db2.gz ZIZPSCVLUIBYTQ-GJZGRUSLSA-N 1 0 384.488 1.079 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)on1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574999781 950589848 /nfs/dbraw/zinc/58/98/48/950589848.db2.gz NNYAWKBMEWZUPU-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)n(C)n1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575000110 950592383 /nfs/dbraw/zinc/59/23/83/950592383.db2.gz AKQBFRIDYFBAKM-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001576207380 950595236 /nfs/dbraw/zinc/59/52/36/950595236.db2.gz GPDRLCRWRRZBNS-HUUCEWRRSA-N 1 0 399.503 1.228 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccccc1O)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574759027 950628608 /nfs/dbraw/zinc/62/86/08/950628608.db2.gz JHDZWUYEPWGXQB-LBPRGKRZSA-N 1 0 384.415 1.962 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001573873503 950643203 /nfs/dbraw/zinc/64/32/03/950643203.db2.gz MYEBFFWUDFAZBO-OIISXLGYSA-N 1 0 384.484 1.903 20 0 GDADRO CC1(C)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]2CCC[N@H+](CCCF)[C@H]21 ZINC001575624897 950675204 /nfs/dbraw/zinc/67/52/04/950675204.db2.gz QEEZBQJZOGLZBE-BPLDGKMQSA-N 1 0 375.452 1.773 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccncc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574760680 950677530 /nfs/dbraw/zinc/67/75/30/950677530.db2.gz XRHPXJDWQNWCFH-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccc1 ZINC001574519711 950693908 /nfs/dbraw/zinc/69/39/08/950693908.db2.gz XUHKFQRHKIFVJX-QKUWSGOFSA-N 1 0 391.479 1.866 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573878060 950701321 /nfs/dbraw/zinc/70/13/21/950701321.db2.gz JGLGUFXKTCSGMR-RRFJBIMHSA-N 1 0 390.463 1.255 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574762435 950705037 /nfs/dbraw/zinc/70/50/37/950705037.db2.gz XUVPWGCWEXOQJZ-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573878366 950705322 /nfs/dbraw/zinc/70/53/22/950705322.db2.gz NWRIAYDMRABNMX-NWANDNLSSA-N 1 0 390.463 1.255 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCCc1ccccn1 ZINC001575926611 950719681 /nfs/dbraw/zinc/71/96/81/950719681.db2.gz XVMYSKBKRJJNJN-YOEHRIQHSA-N 1 0 392.467 1.503 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnn(C(F)F)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574763966 950739744 /nfs/dbraw/zinc/73/97/44/950739744.db2.gz NXOOWZFIGDBBMS-LLVKDONJSA-N 1 0 390.398 1.709 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnns1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574764446 950753707 /nfs/dbraw/zinc/75/37/07/950753707.db2.gz SWJBZPYRTCZFHI-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574764726 950757500 /nfs/dbraw/zinc/75/75/00/950757500.db2.gz XHXNBNLWRBOXIM-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1cc[nH]n1 ZINC001574520938 950762843 /nfs/dbraw/zinc/76/28/43/950762843.db2.gz BHQSNTLLEKXSIH-RYUDHWBXSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1ccn(C)n1 ZINC001574521316 950775025 /nfs/dbraw/zinc/77/50/25/950775025.db2.gz FKMHUDPLCYKLEA-KBPBESRZSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1ccn(C)n1 ZINC001574521318 950776827 /nfs/dbraw/zinc/77/68/27/950776827.db2.gz FKMHUDPLCYKLEA-UONOGXRCSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574765330 950781084 /nfs/dbraw/zinc/78/10/84/950781084.db2.gz CAIDFWQTBHDYGY-NSHDSACASA-N 1 0 382.428 1.123 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1cccnc1 ZINC001574522562 950798239 /nfs/dbraw/zinc/79/82/39/950798239.db2.gz KWOKCGIYCSAPOH-LSDHHAIUSA-N 1 0 379.468 1.877 20 0 GDADRO C[C@@H](CN(C)C(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574765719 950804205 /nfs/dbraw/zinc/80/42/05/950804205.db2.gz JXWIXUOHWLXEDW-VIFPVBQESA-N 1 0 391.432 1.418 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1=COCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574523189 950806785 /nfs/dbraw/zinc/80/67/85/950806785.db2.gz MQJSRHPWYWXYCX-MNOVXSKESA-N 1 0 378.458 1.189 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1ccccc1N(C)C ZINC001575010340 950821302 /nfs/dbraw/zinc/82/13/02/950821302.db2.gz DGYDXNHTPOPEEA-CYBMUJFWSA-N 1 0 382.472 1.511 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575634108 950826120 /nfs/dbraw/zinc/82/61/20/950826120.db2.gz ZOQSTNLFVKDSNN-LBPRGKRZSA-N 1 0 378.502 1.321 20 0 GDADRO C[C@@H]1CN(C(=O)C(F)F)CC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576220619 950834133 /nfs/dbraw/zinc/83/41/33/950834133.db2.gz RWCZUWSMNDJIGD-MNOVXSKESA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccc[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574523825 950835558 /nfs/dbraw/zinc/83/55/58/950835558.db2.gz QWCDBIKUTWNALN-OLZOCXBDSA-N 1 0 385.447 1.950 20 0 GDADRO C[C@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)CCC[NH+](C)C ZINC001575935085 950873088 /nfs/dbraw/zinc/87/30/88/950873088.db2.gz UZXBBCFHSKDPSL-SMDDNHRTSA-N 1 0 392.895 1.658 20 0 GDADRO CC(C)n1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001574527165 950879349 /nfs/dbraw/zinc/87/93/49/950879349.db2.gz AGLXWUGMVWCQOK-VXGBXAGGSA-N 1 0 386.464 1.054 20 0 GDADRO C[C@@H](CN(C)C(=O)c1csc(=O)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574768555 950890928 /nfs/dbraw/zinc/89/09/28/950890928.db2.gz ZCWVDWIZIBTNPM-VIFPVBQESA-N 1 0 391.432 1.418 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1ncccn1 ZINC001574528042 950922037 /nfs/dbraw/zinc/92/20/37/950922037.db2.gz KCVIDZKJMUDIDN-RYUDHWBXSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574771569 950926590 /nfs/dbraw/zinc/92/65/90/950926590.db2.gz GRUUYBYBZMMFNT-LRDDRELGSA-N 1 0 375.452 1.037 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574528404 950931116 /nfs/dbraw/zinc/93/11/16/950931116.db2.gz MLSOHGQCXOZAIX-OLZOCXBDSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574528457 950932488 /nfs/dbraw/zinc/93/24/88/950932488.db2.gz MOXWXBNLBKCOBR-NEPJUHHUSA-N 1 0 382.428 1.049 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1cccc(=O)[nH]1 ZINC001574528410 950933817 /nfs/dbraw/zinc/93/38/17/950933817.db2.gz MLSOHGQCXOZAIX-STQMWFEESA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1cncn1C ZINC001574529284 950945334 /nfs/dbraw/zinc/94/53/34/950945334.db2.gz PZUOGAMMPOXLLV-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574771893 950947688 /nfs/dbraw/zinc/94/76/88/950947688.db2.gz MIPQYTRALXOUKC-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1nn(C)cc1Cl ZINC001574529559 950951621 /nfs/dbraw/zinc/95/16/21/950951621.db2.gz RCPGSSNZZXXLKP-ZJUUUORDSA-N 1 0 391.867 1.268 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574771985 950953968 /nfs/dbraw/zinc/95/39/68/950953968.db2.gz ODPVMDMSZGEZAL-BBRMVZONSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)CCC[NH+]1CCN(CCN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001574194853 950963561 /nfs/dbraw/zinc/96/35/61/950963561.db2.gz CUNVBNNKPMIHMM-UHFFFAOYSA-N 1 0 388.520 1.321 20 0 GDADRO C[C@@H](C[N@H+](C)CCOc1ccccc1F)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574772791 950973957 /nfs/dbraw/zinc/97/39/57/950973957.db2.gz VFBPTYPYVOVUFQ-LBPRGKRZSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@H](C[N@H+](C)CCOc1ccccc1F)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574772790 950975407 /nfs/dbraw/zinc/97/54/07/950975407.db2.gz VFBPTYPYVOVUFQ-GFCCVEGCSA-N 1 0 387.419 1.463 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)COC1CCCC1 ZINC001574773983 950998297 /nfs/dbraw/zinc/99/82/97/950998297.db2.gz AJYLDLKJISSKDE-CYBMUJFWSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCOc1ccc(Cl)cc1 ZINC001575017850 951012926 /nfs/dbraw/zinc/01/29/26/951012926.db2.gz OCPXEVALRXZITM-LLVKDONJSA-N 1 0 389.847 1.635 20 0 GDADRO C[C@H](CNC(=O)c1ccc(Br)o1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575019851 951047837 /nfs/dbraw/zinc/04/78/37/951047837.db2.gz WKTJDVJJYHAKJU-MRVPVSSYSA-N 1 0 392.217 1.270 20 0 GDADRO C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575025822 951132841 /nfs/dbraw/zinc/13/28/41/951132841.db2.gz BILXYIIJJHFKOM-CYBMUJFWSA-N 1 0 380.456 1.554 20 0 GDADRO C[C@H](CNC(=O)c1ccc2cccnc2n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025928 951136205 /nfs/dbraw/zinc/13/62/05/951136205.db2.gz CVKNDECTFPJBCL-LBPRGKRZSA-N 1 0 389.423 1.105 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1COCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575027044 951152078 /nfs/dbraw/zinc/15/20/78/951152078.db2.gz CRCBBGYHFPRTHL-AWEZNQCLSA-N 1 0 392.463 1.848 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575029733 951189857 /nfs/dbraw/zinc/18/98/57/951189857.db2.gz XCUVYVLJGURMKN-NEPJUHHUSA-N 1 0 379.424 1.237 20 0 GDADRO CC(C)Oc1ncccc1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575031573 951196166 /nfs/dbraw/zinc/19/61/66/951196166.db2.gz DMEATDRMWMLLTE-LBPRGKRZSA-N 1 0 382.428 1.096 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575033779 951229484 /nfs/dbraw/zinc/22/94/84/951229484.db2.gz ARDRZTDHGRNUSS-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](CNC(=O)c1ccnn1C1CCC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575034011 951235346 /nfs/dbraw/zinc/23/53/46/951235346.db2.gz GTAFLRLTCXLKRA-LBPRGKRZSA-N 1 0 381.444 1.083 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@H](C)[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001575034395 951248336 /nfs/dbraw/zinc/24/83/36/951248336.db2.gz BDQYHDDBVJLNQG-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575034999 951265065 /nfs/dbraw/zinc/26/50/65/951265065.db2.gz RUCPOYDVRNDQAA-CQSZACIVSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575036661 951297081 /nfs/dbraw/zinc/29/70/81/951297081.db2.gz VDICFNLATPNNMJ-LBPRGKRZSA-N 1 0 381.444 1.226 20 0 GDADRO C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575037028 951304298 /nfs/dbraw/zinc/30/42/98/951304298.db2.gz ZVDDZDJEYIWTNV-ZDUSSCGKSA-N 1 0 382.472 1.726 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575052397 951463958 /nfs/dbraw/zinc/46/39/58/951463958.db2.gz IJMMFPJMIVNFDN-JTQLQIEISA-N 1 0 390.398 1.446 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)cn1 ZINC001575052565 951468034 /nfs/dbraw/zinc/46/80/34/951468034.db2.gz LYFIKQSGIZOYRG-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575052763 951471510 /nfs/dbraw/zinc/47/15/10/951471510.db2.gz NWQIFDCPVYYIDF-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cnn2c1CCC2)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575055046 951497896 /nfs/dbraw/zinc/49/78/96/951497896.db2.gz MKNLZKBVSPVDDC-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@H](CNC(=O)c1cnn2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575055469 951505336 /nfs/dbraw/zinc/50/53/36/951505336.db2.gz VBJWPECPQGTBLV-LLVKDONJSA-N 1 0 386.485 1.369 20 0 GDADRO C[C@H](CNC(=O)c1occ2c1CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575067502 951614790 /nfs/dbraw/zinc/61/47/90/951614790.db2.gz UJDQZQXBJZYDCE-LLVKDONJSA-N 1 0 384.415 1.996 20 0 GDADRO C[C@H](CNC(=O)c1onc2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575070204 951649646 /nfs/dbraw/zinc/64/96/46/951649646.db2.gz PEXUZOOQCCCMNZ-SNVBAGLBSA-N 1 0 387.469 1.703 20 0 GDADRO C[C@@H](CNC(=O)c1ocnc1C1CC1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575070405 951650689 /nfs/dbraw/zinc/65/06/89/951650689.db2.gz PVJKGLHXDFOYBU-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CC1(O)CCC1 ZINC001575077191 951664318 /nfs/dbraw/zinc/66/43/18/951664318.db2.gz ABEOFANEIAZMMX-LBPRGKRZSA-N 1 0 376.436 1.247 20 0 GDADRO C[C@@H](C[NH2+]C[C@H](O)c1ccccc1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575077574 951670853 /nfs/dbraw/zinc/67/08/53/951670853.db2.gz GSCBTBMPAIRUGR-ZBEGNZNMSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCc1ccon1 ZINC001575077805 951674143 /nfs/dbraw/zinc/67/41/43/951674143.db2.gz HSTVTSHPKBRCCX-LBPRGKRZSA-N 1 0 387.419 1.563 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCCOCC1 ZINC001575078274 951679141 /nfs/dbraw/zinc/67/91/41/951679141.db2.gz LBWPSWYVEAGSMI-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575078400 951679544 /nfs/dbraw/zinc/67/95/44/951679544.db2.gz LGNPEFLIHWYETO-XJKSGUPXSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078498 951681646 /nfs/dbraw/zinc/68/16/46/951681646.db2.gz MMVHQXXVGRPYOD-ZDUSSCGKSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080469 951709872 /nfs/dbraw/zinc/70/98/72/951709872.db2.gz MNLGLTQWQNPIRI-ZDUSSCGKSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](CNC(=O)CCc1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080725 951714467 /nfs/dbraw/zinc/71/44/67/951714467.db2.gz NGCGQKTZIKFYNU-GFCCVEGCSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@H](CNC(=O)[C@@H](C)n1cccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081232 951722608 /nfs/dbraw/zinc/72/26/08/951722608.db2.gz QGSRFGLJHNRHBE-QWHCGFSZSA-N 1 0 386.435 1.305 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccc1 ZINC001575081629 951726036 /nfs/dbraw/zinc/72/60/36/951726036.db2.gz RBHCNPURBZKUQF-ZIAGYGMSSA-N 1 0 385.447 1.910 20 0 GDADRO C[C@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082174 951731833 /nfs/dbraw/zinc/73/18/33/951731833.db2.gz VIZQJRIIQFENAJ-DZGCQCFKSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](CNC(=O)CCc1cn[nH]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082873 951738485 /nfs/dbraw/zinc/73/84/85/951738485.db2.gz YUMPTRAPTXCTSD-GFCCVEGCSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@H](CNC(=O)[C@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088510 951738935 /nfs/dbraw/zinc/73/89/35/951738935.db2.gz AKAXXEWZSDSUIC-WMLDXEAASA-N 1 0 384.484 1.525 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575089668 951750429 /nfs/dbraw/zinc/75/04/29/951750429.db2.gz HDMKACXOXMNFMX-HIFRSBDPSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575089690 951752580 /nfs/dbraw/zinc/75/25/80/951752580.db2.gz HQCQRDIEKXMEOY-HXUWFJFHSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575089878 951755781 /nfs/dbraw/zinc/75/57/81/951755781.db2.gz IEIMNFPDXDKNEN-CWTRNNRKSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccncc1F ZINC001575090628 951762128 /nfs/dbraw/zinc/76/21/28/951762128.db2.gz MTDLOUWRKQOSKS-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1cccnc1 ZINC001575090918 951765257 /nfs/dbraw/zinc/76/52/57/951765257.db2.gz NZORRRAGTWMHII-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575090938 951765568 /nfs/dbraw/zinc/76/55/68/951765568.db2.gz OLVDUTXCOGPPHR-AUUYWEPGSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H](CNC(=O)COc1ccsc1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091253 951772437 /nfs/dbraw/zinc/77/24/37/951772437.db2.gz PFHKROUJSPEMHQ-CYBMUJFWSA-N 1 0 386.481 1.849 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CCCOC1 ZINC001575091202 951772610 /nfs/dbraw/zinc/77/26/10/951772610.db2.gz QDWQWOZFSRDCCP-UONOGXRCSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ccsn1 ZINC001575091384 951775619 /nfs/dbraw/zinc/77/56/19/951775619.db2.gz QLYIRHPISGBKKJ-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091503 951776475 /nfs/dbraw/zinc/77/64/75/951776475.db2.gz SWRBCXPJZBOGJV-MLGOLLRUSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@@H](CNC(=O)CCc1cncn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091636 951780907 /nfs/dbraw/zinc/78/09/07/951780907.db2.gz SYIWCWCBYHPLHD-CQSZACIVSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1cccc(=O)[nH]1 ZINC001575091816 951783239 /nfs/dbraw/zinc/78/32/39/951783239.db2.gz VBSQXIRIYCXNCA-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1nccs1 ZINC001575092542 951795472 /nfs/dbraw/zinc/79/54/72/951795472.db2.gz DMJPMUKZPNEDGA-ZDUSSCGKSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)o1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575094276 951804312 /nfs/dbraw/zinc/80/43/12/951804312.db2.gz MMAFRFYOYHMNGY-LBPRGKRZSA-N 1 0 381.440 1.888 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)c1cnccn1)C1CC1 ZINC001575099278 951832626 /nfs/dbraw/zinc/83/26/26/951832626.db2.gz JPGYVJKNOCUNAG-KRWDZBQOSA-N 1 0 384.469 1.407 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100807 951847325 /nfs/dbraw/zinc/84/73/25/951847325.db2.gz VLDYRCFPZVRNGV-GFCCVEGCSA-N 1 0 388.501 1.136 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575102692 951870660 /nfs/dbraw/zinc/87/06/60/951870660.db2.gz OLWNGUSTYZIPLI-KTUBUYFOSA-N 1 0 388.497 1.288 20 0 GDADRO CC(C)n1nccc1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575103004 951871622 /nfs/dbraw/zinc/87/16/22/951871622.db2.gz QNCVURPYCKLPAR-GFCCVEGCSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@H](CNC(=O)CCc1cn[nH]c1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575104258 951884427 /nfs/dbraw/zinc/88/44/27/951884427.db2.gz YOGARDVXJGKJMQ-LBPRGKRZSA-N 1 0 386.435 1.204 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575105172 951889846 /nfs/dbraw/zinc/88/98/46/951889846.db2.gz HKYAETRZKRLQKS-ZFWWWQNUSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cc1cncs1 ZINC001575104916 951890670 /nfs/dbraw/zinc/89/06/70/951890670.db2.gz GSRFIDCIVVUWAX-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575105610 951896274 /nfs/dbraw/zinc/89/62/74/951896274.db2.gz LJSPBJGGHOQJEY-OXQOHEQNSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001575107061 951910947 /nfs/dbraw/zinc/91/09/47/951910947.db2.gz YAZHOSSCYPAGBK-IBGZPJMESA-N 1 0 380.456 1.138 20 0 GDADRO C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001575113840 951946595 /nfs/dbraw/zinc/94/65/95/951946595.db2.gz GXHMMIKGIVDXEL-VBKZILBWSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113930 951948908 /nfs/dbraw/zinc/94/89/08/951948908.db2.gz IFIOAWGBBBRFGS-ZDUSSCGKSA-N 1 0 379.468 1.839 20 0 GDADRO C[C@H](CNC(=O)CCc1ncccn1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114013 951951416 /nfs/dbraw/zinc/95/14/16/951951416.db2.gz KKWYBKNHYMZLHT-AWEZNQCLSA-N 1 0 380.456 1.131 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001575119280 951987170 /nfs/dbraw/zinc/98/71/70/951987170.db2.gz WLKWCPIHHCHYFL-NSHDSACASA-N 1 0 386.460 1.636 20 0 GDADRO C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575125498 952045320 /nfs/dbraw/zinc/04/53/20/952045320.db2.gz NZSFMKGTIQFVOG-CQSZACIVSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575144817 952172532 /nfs/dbraw/zinc/17/25/32/952172532.db2.gz MDRXKWVUDUNIHE-IBGZPJMESA-N 1 0 378.440 1.018 20 0 GDADRO C[C@H](CNc1nc(Cl)c(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575165966 952318445 /nfs/dbraw/zinc/31/84/45/952318445.db2.gz RJGPXVUOHNCGMR-RKDXNWHRSA-N 1 0 384.897 1.187 20 0 GDADRO C[C@H](CNc1ncccc1-c1nn[nH]n1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575167576 952336798 /nfs/dbraw/zinc/33/67/98/952336798.db2.gz IESJBTPHWZIPRL-CQSZACIVSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001575175388 952385746 /nfs/dbraw/zinc/38/57/46/952385746.db2.gz CVYXVQPAXKSVTA-CQSZACIVSA-N 1 0 392.529 1.606 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575190505 952462310 /nfs/dbraw/zinc/46/23/10/952462310.db2.gz SZEQPRMXXLAZIV-UONOGXRCSA-N 1 0 381.440 1.416 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001575197325 952483323 /nfs/dbraw/zinc/48/33/23/952483323.db2.gz UBNSBQFPGHSHPL-SJKOYZFVSA-N 1 0 381.440 1.462 20 0 GDADRO O=C(C(F)F)N1CCC[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC001571120140 952498802 /nfs/dbraw/zinc/49/88/02/952498802.db2.gz JWWQQNSQEHKRKU-HUUCEWRRSA-N 1 0 376.411 1.945 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001571120649 952505633 /nfs/dbraw/zinc/50/56/33/952505633.db2.gz OTCJOTCKUUEFQK-GJZGRUSLSA-N 1 0 376.411 1.945 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCC1(F)F ZINC001571120700 952506995 /nfs/dbraw/zinc/50/69/95/952506995.db2.gz PROJVUBTYOGLAK-LNSITVRQSA-N 1 0 376.411 1.896 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001575202641 952514108 /nfs/dbraw/zinc/51/41/08/952514108.db2.gz WULITIZVNUMVRB-DUOKCRBOSA-N 1 0 392.467 1.015 20 0 GDADRO CC[C@@H](SC)C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571121191 952515700 /nfs/dbraw/zinc/51/57/00/952515700.db2.gz XYLXEVNUJTYWEU-IUODEOHRSA-N 1 0 375.502 1.537 20 0 GDADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571121260 952517785 /nfs/dbraw/zinc/51/77/85/952517785.db2.gz ZOVHEWJNSIPGMH-GUEANNCQSA-N 1 0 375.864 1.920 20 0 GDADRO O=C(c1ccsn1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121232 952517891 /nfs/dbraw/zinc/51/78/91/952517891.db2.gz YSZULPXYOCYEKA-JTQLQIEISA-N 1 0 375.483 1.779 20 0 GDADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571121259 952518030 /nfs/dbraw/zinc/51/80/30/952518030.db2.gz ZOVHEWJNSIPGMH-AUUBJWOYSA-N 1 0 375.864 1.920 20 0 GDADRO CS[C@@H](C)C(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571121225 952518220 /nfs/dbraw/zinc/51/82/20/952518220.db2.gz YOCYLAHMKUAWMM-KGYLQXTDSA-N 1 0 375.502 1.250 20 0 GDADRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C(C)(C)F)C2)cc1-c1nn[nH]n1 ZINC001571121604 952520276 /nfs/dbraw/zinc/52/02/76/952520276.db2.gz APOZLWNTDYRBSA-JOCQHMNTSA-N 1 0 376.436 1.608 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)ccn1 ZINC001571127065 952549199 /nfs/dbraw/zinc/54/91/99/952549199.db2.gz FABMXNRDCFFFKH-HNNXBMFYSA-N 1 0 377.452 1.822 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cc(C)n1 ZINC001571127190 952551725 /nfs/dbraw/zinc/55/17/25/952551725.db2.gz HTLWLQAKMBJSLS-SFHVURJKSA-N 1 0 377.452 1.883 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001571127815 952560842 /nfs/dbraw/zinc/56/08/42/952560842.db2.gz KGMFIBFUWJZLIW-INIZCTEOSA-N 1 0 377.452 1.904 20 0 GDADRO Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C3)C2)cc1 ZINC001571127871 952561200 /nfs/dbraw/zinc/56/12/00/952561200.db2.gz LGGSKFZFMURIFQ-UHFFFAOYSA-N 1 0 377.452 1.851 20 0 GDADRO O=C(Cc1ccc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571128383 952566168 /nfs/dbraw/zinc/56/61/68/952566168.db2.gz SBUMRVRENOWVMU-SQNIBIBYSA-N 1 0 377.452 1.659 20 0 GDADRO Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571128668 952569928 /nfs/dbraw/zinc/56/99/28/952569928.db2.gz WIXBMDJTQOSJKD-RDTXWAMCSA-N 1 0 377.452 1.494 20 0 GDADRO Cc1ccnc(C(=O)N[C@]2(C)CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571133973 952583796 /nfs/dbraw/zinc/58/37/96/952583796.db2.gz AICKUYOJRXQDGY-LJQANCHMSA-N 1 0 378.440 1.360 20 0 GDADRO Cc1cncc(C(=O)NC2CC(CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571134030 952584500 /nfs/dbraw/zinc/58/45/00/952584500.db2.gz BSVRNVZSCVQFCI-UHFFFAOYSA-N 1 0 378.440 1.316 20 0 GDADRO Cc1ccnc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)n1 ZINC001571134692 952594021 /nfs/dbraw/zinc/59/40/21/952594021.db2.gz LYTIEUBIBMZRPS-CZUORRHYSA-N 1 0 378.440 1.358 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)c(C)nn1 ZINC001571134913 952597413 /nfs/dbraw/zinc/59/74/13/952597413.db2.gz NGMWSUXUCULCLY-HNNXBMFYSA-N 1 0 378.440 1.278 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccccn2)CC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571135227 952601394 /nfs/dbraw/zinc/60/13/94/952601394.db2.gz RJQIIMVOKQXSNX-ZIAGYGMSSA-N 1 0 378.440 1.289 20 0 GDADRO CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@@H](O)c1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571136160 952612896 /nfs/dbraw/zinc/61/28/96/952612896.db2.gz NMMHNWPPVQCATF-LJQANCHMSA-N 1 0 378.436 1.917 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001571139074 952618329 /nfs/dbraw/zinc/61/83/29/952618329.db2.gz BLHQMHZPMWKKSI-ZBEGNZNMSA-N 1 0 379.415 1.625 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571139338 952619955 /nfs/dbraw/zinc/61/99/55/952619955.db2.gz GEKSNHLFWRBFHV-RYUDHWBXSA-N 1 0 379.415 1.824 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ocnc1C1CC1 ZINC001571140626 952627498 /nfs/dbraw/zinc/62/74/98/952627498.db2.gz DJCQMCJNNCAABA-HNNXBMFYSA-N 1 0 379.424 1.736 20 0 GDADRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c(=O)[nH]1 ZINC001571140669 952627960 /nfs/dbraw/zinc/62/79/60/952627960.db2.gz DUCRPYLODOCLQA-OAHLLOKOSA-N 1 0 379.424 1.280 20 0 GDADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C12CCC2)c1cnco1 ZINC001571141258 952633054 /nfs/dbraw/zinc/63/30/54/952633054.db2.gz JHMMKUPYRNCMGK-CVEARBPZSA-N 1 0 379.424 1.686 20 0 GDADRO CS[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571141643 952634461 /nfs/dbraw/zinc/63/44/61/952634461.db2.gz JLLOIFGUGYGWDJ-DGCLKSJQSA-N 1 0 378.477 1.838 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001571141941 952637178 /nfs/dbraw/zinc/63/71/78/952637178.db2.gz LGSMNWUGYVFGCU-OIISXLGYSA-N 1 0 378.440 1.136 20 0 GDADRO CS[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571142004 952638367 /nfs/dbraw/zinc/63/83/67/952638367.db2.gz NBIOIISXPPXDSO-SMDDNHRTSA-N 1 0 378.477 1.838 20 0 GDADRO Cc1cnoc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571142369 952640864 /nfs/dbraw/zinc/64/08/64/952640864.db2.gz RZUKENQMVJLDLG-PHZGNYQRSA-N 1 0 379.424 1.271 20 0 GDADRO C[C@H](NC(=O)c1ccnnc1)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571147595 952663489 /nfs/dbraw/zinc/66/34/89/952663489.db2.gz OVHZPNDWOMLXDU-GXTWGEPZSA-N 1 0 379.428 1.087 20 0 GDADRO Cc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1 ZINC001571150473 952668202 /nfs/dbraw/zinc/66/82/02/952668202.db2.gz BONDIPQTUBMPGQ-QGZVFWFLSA-N 1 0 379.468 1.940 20 0 GDADRO CC[NH+]1CCN(c2ccc(CNc3cc(C)c(-c4nn[nH]n4)cn3)cn2)CC1 ZINC001571151071 952672581 /nfs/dbraw/zinc/67/25/81/952672581.db2.gz KLJDJXZXTGXDPW-UHFFFAOYSA-N 1 0 379.472 1.719 20 0 GDADRO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001571151772 952679518 /nfs/dbraw/zinc/67/95/18/952679518.db2.gz XEIQTYMHLMWKKN-IIDMSEBBSA-N 1 0 379.468 1.866 20 0 GDADRO C[C@H](NC(=O)[C@H]1CC1(F)F)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571152185 952681508 /nfs/dbraw/zinc/68/15/08/952681508.db2.gz CXNBKEYGMPUQAY-TVQRCGJNSA-N 1 0 380.374 1.598 20 0 GDADRO O=C(C(F)F)N1CC2(C1)CC[NH+](Cc1cc(-c3nn[nH]n3)ccc1F)CC2 ZINC001571152194 952681582 /nfs/dbraw/zinc/68/15/82/952681582.db2.gz DABOZVONNSTRJK-UHFFFAOYSA-N 1 0 380.374 1.695 20 0 GDADRO O=C(N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@]1(F)CCOC1 ZINC001571165442 952751103 /nfs/dbraw/zinc/75/11/03/952751103.db2.gz DGFBYHJCVNEXHB-BDJLRTHQSA-N 1 0 380.449 1.137 20 0 GDADRO CCc1[nH]ccc1C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571165425 952751284 /nfs/dbraw/zinc/75/12/84/952751284.db2.gz CWLSJDKDLMXGAN-UHFFFAOYSA-N 1 0 380.456 1.799 20 0 GDADRO C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165666 952753192 /nfs/dbraw/zinc/75/31/92/952753192.db2.gz HKJIGMRTBNZHFX-CJNGLKHVSA-N 1 0 380.456 1.017 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1c[nH]cn1 ZINC001571165629 952753510 /nfs/dbraw/zinc/75/35/10/952753510.db2.gz GZEWKFRRKAJBMA-GUYCJALGSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@H]1C[C@H](NC(=O)Cc2ncc[nH]2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165583 952753675 /nfs/dbraw/zinc/75/36/75/952753675.db2.gz GBMZODXPEDTVAX-XJKSGUPXSA-N 1 0 380.456 1.302 20 0 GDADRO CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnc[nH]1 ZINC001571166412 952760645 /nfs/dbraw/zinc/76/06/45/952760645.db2.gz MGPPHHGPJGDDNQ-HNNXBMFYSA-N 1 0 380.456 1.258 20 0 GDADRO Cc1ccc(C[NH2+]C2CC(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c(C)n1 ZINC001571169448 952773560 /nfs/dbraw/zinc/77/35/60/952773560.db2.gz CPICWPJITCPZEN-UHFFFAOYSA-N 1 0 380.456 1.505 20 0 GDADRO Cc1ccncc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571169552 952774448 /nfs/dbraw/zinc/77/44/48/952774448.db2.gz GSDAFMLIAQESNN-CZUORRHYSA-N 1 0 380.456 1.587 20 0 GDADRO Cc1cncc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)c1 ZINC001571169637 952775905 /nfs/dbraw/zinc/77/59/05/952775905.db2.gz IWRICBHLSBFOKI-HIFRSBDPSA-N 1 0 380.456 1.396 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C[C@H]2C)c[nH]1 ZINC001571169589 952775993 /nfs/dbraw/zinc/77/59/93/952775993.db2.gz HJXHZJZOAXBFBF-IUODEOHRSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1cc(C)c(C(=O)NCC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)[nH]1 ZINC001571169701 952776915 /nfs/dbraw/zinc/77/69/15/952776915.db2.gz KTFWEUGPQUULLE-UHFFFAOYSA-N 1 0 380.456 1.853 20 0 GDADRO Cc1cc(N(C)CC2CCN(C(=O)c3ccc[nH]3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169715 952777060 /nfs/dbraw/zinc/77/70/60/952777060.db2.gz LAUKBZXEEHZCRL-UHFFFAOYSA-N 1 0 380.456 1.887 20 0 GDADRO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C)c(C)n1 ZINC001571169789 952778045 /nfs/dbraw/zinc/77/80/45/952778045.db2.gz NKKSVZXTWRRCSF-BBRMVZONSA-N 1 0 380.456 1.599 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169852 952779496 /nfs/dbraw/zinc/77/94/96/952779496.db2.gz PEGWUJVUBHJXBE-INIZCTEOSA-N 1 0 380.456 1.635 20 0 GDADRO Cc1cnn(CC(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC001571169873 952779540 /nfs/dbraw/zinc/77/95/40/952779540.db2.gz PPRYQRRIZWEHOI-UHFFFAOYSA-N 1 0 380.456 1.152 20 0 GDADRO Cc1nn(C)c(C)c1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571171705 952795774 /nfs/dbraw/zinc/79/57/74/952795774.db2.gz DIHFJQSOMOECEX-MRXNPFEDSA-N 1 0 380.456 1.221 20 0 GDADRO Cc1ncccc1C[N@@H+]1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 ZINC001571172138 952802966 /nfs/dbraw/zinc/80/29/66/952802966.db2.gz NNSJFAVAPQTLIT-IUODEOHRSA-N 1 0 380.456 1.396 20 0 GDADRO Cn1cccc1C(=O)N1CCCC[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571172830 952809502 /nfs/dbraw/zinc/80/95/02/952809502.db2.gz YMZUDEFWHROAHT-CQSZACIVSA-N 1 0 380.456 1.519 20 0 GDADRO Cc1cccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)n1 ZINC001571178487 952842077 /nfs/dbraw/zinc/84/20/77/952842077.db2.gz KJMVFBDYOSDUQI-AWEZNQCLSA-N 1 0 381.415 1.714 20 0 GDADRO O=C(c1cc[nH]c1)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571179289 952852299 /nfs/dbraw/zinc/85/22/99/952852299.db2.gz BCENAFOHOAPZGB-QGZVFWFLSA-N 1 0 381.440 1.216 20 0 GDADRO Cc1ocnc1C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571179667 952855810 /nfs/dbraw/zinc/85/58/10/952855810.db2.gz IVEAFFSGKMSFPC-UHFFFAOYSA-N 1 0 381.440 1.900 20 0 GDADRO Cc1cc(NC2(C)CCN(C(=O)Cc3ccco3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571179652 952856872 /nfs/dbraw/zinc/85/68/72/952856872.db2.gz IFARFRTXQPVOCQ-UHFFFAOYSA-N 1 0 381.440 1.621 20 0 GDADRO Cc1cc(N[C@H]2CCC[C@@H](NC(=O)Cc3ccoc3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571180580 952860624 /nfs/dbraw/zinc/86/06/24/952860624.db2.gz QTQTXOCUHMKBST-LSDHHAIUSA-N 1 0 381.440 1.667 20 0 GDADRO Cc1cc(CC(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC001571181385 952863135 /nfs/dbraw/zinc/86/31/35/952863135.db2.gz VSHOCCJHWDCQKA-UHFFFAOYSA-N 1 0 381.440 1.390 20 0 GDADRO Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571181865 952865870 /nfs/dbraw/zinc/86/58/70/952865870.db2.gz ZCGKSZUMVMOZQR-JCURWCKSSA-N 1 0 381.440 1.039 20 0 GDADRO CC(C)c1oncc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571182697 952867601 /nfs/dbraw/zinc/86/76/01/952867601.db2.gz BYOBEXSUCMKJLX-HNNXBMFYSA-N 1 0 381.440 1.982 20 0 GDADRO CCc1ocnc1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC001571182761 952868360 /nfs/dbraw/zinc/86/83/60/952868360.db2.gz DTLKSWAVJFALEB-WFASDCNBSA-N 1 0 381.440 1.810 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cocn2)[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571182794 952868445 /nfs/dbraw/zinc/86/84/45/952868445.db2.gz GAMCUXQCPHTTOG-CJNGLKHVSA-N 1 0 381.440 1.885 20 0 GDADRO CC(C)c1cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)on1 ZINC001571182986 952871995 /nfs/dbraw/zinc/87/19/95/952871995.db2.gz LNZSMTZTMAZHJR-HNNXBMFYSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571183164 952873862 /nfs/dbraw/zinc/87/38/62/952873862.db2.gz QUGNFBQRDWOZRL-CXAGYDPISA-N 1 0 381.440 1.885 20 0 GDADRO Cc1ccncc1C(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571183351 952876535 /nfs/dbraw/zinc/87/65/35/952876535.db2.gz YCGBSIGPRTVLAC-CQSZACIVSA-N 1 0 381.415 1.714 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CCCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571187924 952910563 /nfs/dbraw/zinc/91/05/63/952910563.db2.gz CSIQEFWQMSMBRB-ZDUSSCGKSA-N 1 0 381.444 1.130 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)c1cncs1 ZINC001571188465 952914761 /nfs/dbraw/zinc/91/47/61/952914761.db2.gz BDWIKILMYJFGBW-QKDCVEJESA-N 1 0 381.465 1.431 20 0 GDADRO O=C(NC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001571191216 952945895 /nfs/dbraw/zinc/94/58/95/952945895.db2.gz OHYFIXJEVVEBPM-ZWKOTPCHSA-N 1 0 381.484 1.184 20 0 GDADRO O=C(N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1ccccc1Cl ZINC001571193066 952949886 /nfs/dbraw/zinc/94/98/86/952949886.db2.gz XOSVDEVIRFPJMY-VIKVFOODSA-N 1 0 381.827 1.780 20 0 GDADRO Cc1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)cn1 ZINC001571196745 952983378 /nfs/dbraw/zinc/98/33/78/952983378.db2.gz NBHKZVSCYVBMGK-CQSZACIVSA-N 1 0 382.403 1.109 20 0 GDADRO CCCc1cc(C(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2C)no1 ZINC001571200829 953013155 /nfs/dbraw/zinc/01/31/55/953013155.db2.gz MGHCYTFTHWJVGC-NWDGAFQWSA-N 1 0 382.428 1.339 20 0 GDADRO C[C@H]1CCN(C(=O)c2cnon2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571201476 953018507 /nfs/dbraw/zinc/01/85/07/953018507.db2.gz QIXQJWVCJHVEGV-SWLSCSKDSA-N 1 0 382.428 1.138 20 0 GDADRO Cc1cnoc1C(=O)N1CCC[C@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202742 953027681 /nfs/dbraw/zinc/02/76/81/953027681.db2.gz XRVBRRCAQULODE-STQMWFEESA-N 1 0 382.428 1.333 20 0 GDADRO Cc1noc(C)c1C(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571204602 953031714 /nfs/dbraw/zinc/03/17/14/953031714.db2.gz AKWRMAMZJIKLEP-CYBMUJFWSA-N 1 0 382.428 1.253 20 0 GDADRO Cc1noc(C)c1C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571205385 953037898 /nfs/dbraw/zinc/03/78/98/953037898.db2.gz IQSRRZBAFGQRHF-HUUCEWRRSA-N 1 0 382.428 1.442 20 0 GDADRO Cc1noc(C)c1C(=O)N1CC[C@@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571207078 953059267 /nfs/dbraw/zinc/05/92/67/953059267.db2.gz VRYRDHSNBFGOSF-ZWNOBZJWSA-N 1 0 382.428 1.251 20 0 GDADRO O=C([C@@H]1CCOC1)N1CC[C@]2(CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001571209891 953068880 /nfs/dbraw/zinc/06/88/80/953068880.db2.gz HVFARUKSPCMYGE-XLIONFOSSA-N 1 0 382.468 1.328 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCN(C(=O)C2=COCCC2)C1 ZINC001571209938 953068924 /nfs/dbraw/zinc/06/89/24/953068924.db2.gz JNLCUEKAIWJJFX-INIZCTEOSA-N 1 0 382.468 1.841 20 0 GDADRO Cc1cc(N2C[C@@H]3CN(C(=O)c4cncs4)C[C@@H]3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571210191 953070391 /nfs/dbraw/zinc/07/03/91/953070391.db2.gz NRZDDGPYMTZMRF-TXEJJXNPSA-N 1 0 382.453 1.235 20 0 GDADRO O=C(N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1=COCCC1 ZINC001571210376 953071115 /nfs/dbraw/zinc/07/11/15/953071115.db2.gz QCZCDXBMVLTIAW-FUHWJXTLSA-N 1 0 382.468 1.936 20 0 GDADRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cc1F ZINC001571229282 953168272 /nfs/dbraw/zinc/16/82/72/953168272.db2.gz BUXRUUMKFYHXFD-SJKOYZFVSA-N 1 0 383.431 1.893 20 0 GDADRO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571230562 953178477 /nfs/dbraw/zinc/17/84/77/953178477.db2.gz XSEYEKAWATXLCU-CYBMUJFWSA-N 1 0 383.431 1.894 20 0 GDADRO CC[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nn[nH]n4)C[C@H]32)O1 ZINC001571231127 953183327 /nfs/dbraw/zinc/18/33/27/953183327.db2.gz SZGCJVCYFKOJCN-YYMGMBILSA-N 1 0 383.456 1.079 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001571231460 953185012 /nfs/dbraw/zinc/18/50/12/953185012.db2.gz XGOSLCKKVZTZGG-CQSZACIVSA-N 1 0 383.431 1.976 20 0 GDADRO Cc1ncsc1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571234005 953198164 /nfs/dbraw/zinc/19/81/64/953198164.db2.gz KHKWDHRYFBVEGT-XHDPSFHLSA-N 1 0 383.481 1.882 20 0 GDADRO Cc1nsc(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571234306 953200710 /nfs/dbraw/zinc/20/07/10/953200710.db2.gz TZUQIBHGCKWSLO-OAHLLOKOSA-N 1 0 383.481 1.944 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001571238812 953233284 /nfs/dbraw/zinc/23/32/84/953233284.db2.gz AJLVLGPAJTWEBK-SMDDNHRTSA-N 1 0 384.419 1.369 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571239363 953238986 /nfs/dbraw/zinc/23/89/86/953238986.db2.gz JGAFIJHWKANDNO-CYBMUJFWSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1n[nH]cc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239588 953240045 /nfs/dbraw/zinc/24/00/45/953240045.db2.gz NFOBANIORKOQNV-BETUJISGSA-N 1 0 384.419 1.336 20 0 GDADRO CC1(C)CN(C(=O)c2ncc[nH]2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571239652 953241223 /nfs/dbraw/zinc/24/12/23/953241223.db2.gz PDRARZCAQXJQBW-CQSZACIVSA-N 1 0 384.419 1.369 20 0 GDADRO CCn1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)c1 ZINC001571239964 953244790 /nfs/dbraw/zinc/24/47/90/953244790.db2.gz VYBHVBRWVQVWFK-BETUJISGSA-N 1 0 384.419 1.273 20 0 GDADRO Cc1cc(N(C)[C@H]2CCCN(C(=O)c3cc(F)c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571241790 953249805 /nfs/dbraw/zinc/24/98/05/953249805.db2.gz LPXCPJDHKBIVBO-ZDUSSCGKSA-N 1 0 384.419 1.778 20 0 GDADRO O=C(c1ncc[nH]1)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571241848 953250307 /nfs/dbraw/zinc/25/03/07/953250307.db2.gz NCRRGHICVGJEOR-CQSZACIVSA-N 1 0 384.419 1.513 20 0 GDADRO CCc1cnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571242644 953258607 /nfs/dbraw/zinc/25/86/07/953258607.db2.gz KXOJHHRALJLKEM-CHWSQXEVSA-N 1 0 384.444 1.576 20 0 GDADRO CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571242735 953259426 /nfs/dbraw/zinc/25/94/26/953259426.db2.gz MXWWIIYODIPMCU-UHFFFAOYSA-N 1 0 384.444 1.446 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2nccs2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571244618 953264969 /nfs/dbraw/zinc/26/49/69/953264969.db2.gz CGIXNXUOLKTGKZ-BXUZGUMPSA-N 1 0 384.469 1.032 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245066 953270032 /nfs/dbraw/zinc/27/00/32/953270032.db2.gz NIZBCQFAWJYDFZ-NEPJUHHUSA-N 1 0 384.469 1.350 20 0 GDADRO CC1(C)CN(C(=O)c2cnsn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571245921 953278530 /nfs/dbraw/zinc/27/85/30/953278530.db2.gz OOHITJZTILFJEF-CQSZACIVSA-N 1 0 384.469 1.359 20 0 GDADRO Cc1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)o1 ZINC001571247519 953283408 /nfs/dbraw/zinc/28/34/08/953283408.db2.gz ACGJPSHXWOJHRG-GXFFZTMASA-N 1 0 384.444 1.298 20 0 GDADRO C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC001571247654 953284263 /nfs/dbraw/zinc/28/42/63/953284263.db2.gz BPLLGOSUOHNTJH-WBVHZDCISA-N 1 0 384.484 1.716 20 0 GDADRO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCCOCC1 ZINC001571247743 953285206 /nfs/dbraw/zinc/28/52/06/953285206.db2.gz DBBVKLXMDZYJKB-WBVHZDCISA-N 1 0 384.484 1.716 20 0 GDADRO C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571247734 953285737 /nfs/dbraw/zinc/28/57/37/953285737.db2.gz CTZNKPDSTWZBJN-ZWKOTPCHSA-N 1 0 384.484 1.275 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@@H]1CCCN1C(=O)[C@@]1(C)CCOC1 ZINC001571247798 953286308 /nfs/dbraw/zinc/28/63/08/953286308.db2.gz FIVWFPQUPLFIGG-JXFKEZNVSA-N 1 0 384.484 1.716 20 0 GDADRO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001571247773 953286420 /nfs/dbraw/zinc/28/64/20/953286420.db2.gz DPXLUHXWVGJWMS-PXNSSMCTSA-N 1 0 384.484 1.764 20 0 GDADRO CCO[C@H]1C[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571247766 953286471 /nfs/dbraw/zinc/28/64/71/953286471.db2.gz DMMRSQCSQDTOHG-IRXDYDNUSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)COC1CCCC1 ZINC001571247897 953286980 /nfs/dbraw/zinc/28/69/80/953286980.db2.gz HUECHFDCTWUETC-RDTXWAMCSA-N 1 0 384.484 1.905 20 0 GDADRO C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CO1 ZINC001571247904 953286991 /nfs/dbraw/zinc/28/69/91/953286991.db2.gz IBZQDLKLQXTHCB-KBXCAEBGSA-N 1 0 384.484 1.620 20 0 GDADRO C[C@H]1[C@H](NC(=O)C2CCOCC2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571248257 953291508 /nfs/dbraw/zinc/29/15/08/953291508.db2.gz OTFMIDXUUQUHIX-KBXCAEBGSA-N 1 0 384.484 1.762 20 0 GDADRO CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001571248264 953291843 /nfs/dbraw/zinc/29/18/43/953291843.db2.gz OURYVBJIANNBMI-BZUAXINKSA-N 1 0 384.484 1.954 20 0 GDADRO CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571248516 953294212 /nfs/dbraw/zinc/29/42/12/953294212.db2.gz WEVPODOVLHGIQP-MGPUTAFESA-N 1 0 384.484 1.859 20 0 GDADRO Cc1ncc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571248981 953299531 /nfs/dbraw/zinc/29/95/31/953299531.db2.gz NFXZBUGHZHCAOF-TZMCWYRMSA-N 1 0 384.444 1.570 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001571249044 953300259 /nfs/dbraw/zinc/30/02/59/953300259.db2.gz BRNGNSHGMAMQBI-GOEBONIOSA-N 1 0 384.488 1.537 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001571249112 953300359 /nfs/dbraw/zinc/30/03/59/953300359.db2.gz DHYAHUXHIHRWJE-DNVCBOLYSA-N 1 0 384.488 1.220 20 0 GDADRO O=C(CC[C@@H]1CCOC1)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571249240 953302147 /nfs/dbraw/zinc/30/21/47/953302147.db2.gz GOYUPUIAGJQSFO-CRAIPNDOSA-N 1 0 384.484 1.764 20 0 GDADRO Cc1nc(C)c(C[NH2+]C2CCC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571249348 953303685 /nfs/dbraw/zinc/30/36/85/953303685.db2.gz ORCFLAUSNHTNAK-UHFFFAOYSA-N 1 0 384.444 1.630 20 0 GDADRO C[C@@H]1CCN(C(=O)[C@@H]2CCCO2)[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571249917 953308461 /nfs/dbraw/zinc/30/84/61/953308461.db2.gz MRHNKDFRLUMMQW-HFTRVMKXSA-N 1 0 384.484 1.762 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571251138 953314663 /nfs/dbraw/zinc/31/46/63/953314663.db2.gz WFBLFZAODNYDEV-IAGOWNOFSA-N 1 0 384.484 1.622 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C(C)(C)C1 ZINC001571252085 953322597 /nfs/dbraw/zinc/32/25/97/953322597.db2.gz GVIVLPAHIDGKCA-HOTGVXAUSA-N 1 0 384.488 1.395 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)(Nc3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001571252034 953322968 /nfs/dbraw/zinc/32/29/68/953322968.db2.gz FVERGUSJPBHEHW-AWEZNQCLSA-N 1 0 384.488 1.397 20 0 GDADRO Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)ccc1-c1nn[nH]n1 ZINC001571252299 953326406 /nfs/dbraw/zinc/32/64/06/953326406.db2.gz KDOFOUZUCZMCSZ-HOCLYGCPSA-N 1 0 384.488 1.456 20 0 GDADRO C[NH+](C)C1(C(=O)N2C[C@H](Nc3ncccc3-c3nn[nH]n3)C(C)(C)C2)CCC1 ZINC001571252571 953329401 /nfs/dbraw/zinc/32/94/01/953329401.db2.gz QGBIRZWCIOEYPP-AWEZNQCLSA-N 1 0 384.488 1.395 20 0 GDADRO CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571252582 953330553 /nfs/dbraw/zinc/33/05/53/953330553.db2.gz QJFSOCLTNSWGGA-WBVHZDCISA-N 1 0 384.488 1.173 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2cocn2)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571254610 953340421 /nfs/dbraw/zinc/34/04/21/953340421.db2.gz HHFVIWMCJBNKQA-RISCZKNCSA-N 1 0 385.403 1.777 20 0 GDADRO Cc1ocnc1C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571255452 953350189 /nfs/dbraw/zinc/35/01/89/953350189.db2.gz QEYXKBAFZIMELP-AWEZNQCLSA-N 1 0 385.403 1.697 20 0 GDADRO CC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN(C(=O)c2cocn2)CC1 ZINC001571255731 953353323 /nfs/dbraw/zinc/35/33/23/953353323.db2.gz SXWCLKPLQXRSQB-UHFFFAOYSA-N 1 0 385.403 1.778 20 0 GDADRO C[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000874418170 956206117 /nfs/dbraw/zinc/20/61/17/956206117.db2.gz XHNSTXVGLZLDHZ-KRWDZBQOSA-N 1 0 388.512 1.841 20 0 GDADRO CC[C@@H]1C[NH+](Cc2c(C[N@@H+]3C[C@H](O)[C@H](CC)C3)cccc2C(=O)[O-])C[C@@H]1O ZINC001595489933 981240080 /nfs/dbraw/zinc/24/00/80/981240080.db2.gz XGZUJJILYNQMGX-IPZZXCBHSA-N 1 0 376.497 1.790 20 0 GDADRO CCCOc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)cc1 ZINC001595956000 983144038 /nfs/dbraw/zinc/14/40/38/983144038.db2.gz AAPVTUPIEKPGPX-YRNRMSPPSA-N 1 0 375.469 1.216 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001594516743 985914545 /nfs/dbraw/zinc/91/45/45/985914545.db2.gz RQRWVTVGLAZBGE-AOCRQIFASA-N 1 0 380.533 1.974 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001594542077 986177607 /nfs/dbraw/zinc/17/76/07/986177607.db2.gz CGEFBZUJQHKEBT-SJLPKXTDSA-N 1 0 388.512 1.697 20 0 GDADRO C[C@H](NC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001593064172 993595979 /nfs/dbraw/zinc/59/59/79/993595979.db2.gz VGCNABQMTUTLAV-IXDOHACOSA-N 1 0 380.533 1.830 20 0 GDADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001593197345 994162836 /nfs/dbraw/zinc/16/28/36/994162836.db2.gz ZOSSMILDXCYIAS-WBVHZDCISA-N 1 0 376.501 1.774 20 0 GDADRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C(=O)[O-])C1 ZINC001598803289 996160062 /nfs/dbraw/zinc/16/00/62/996160062.db2.gz LCWGRVUPTIRWEG-IEBWSBKVSA-N 1 0 390.480 1.999 20 0 GDADRO COc1cc(C[NH2+][C@@H](CO)Cc2ccccc2)cc(Cl)c1OCC(N)=O ZINC000152715589 1126076454 /nfs/dbraw/zinc/07/64/54/1126076454.db2.gz KVOPCFYAWHLCQZ-OAHLLOKOSA-N 1 0 378.856 1.906 20 0 GDADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)cc1C ZINC000453635269 1126093453 /nfs/dbraw/zinc/09/34/53/1126093453.db2.gz SDCPNKUQPKAEKV-UXHICEINSA-N 1 0 391.537 1.727 20 0 GDADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000466913002 1126094064 /nfs/dbraw/zinc/09/40/64/1126094064.db2.gz DTGCYFBSCQBMGR-RBUKOAKNSA-N 1 0 377.510 1.418 20 0 GDADRO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000883324615 1126125276 /nfs/dbraw/zinc/12/52/76/1126125276.db2.gz XTRGUZTVDOQBGN-LJQANCHMSA-N 1 0 375.494 1.912 20 0 GDADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cccc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001593498027 1126217593 /nfs/dbraw/zinc/21/75/93/1126217593.db2.gz ISALBWCXRWVRCZ-LSDHHAIUSA-N 1 0 378.358 1.886 20 0 GDADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC001605333064 1126230080 /nfs/dbraw/zinc/23/00/80/1126230080.db2.gz XRDXSIVBBZGNFX-FQEVSTJZSA-N 1 0 383.452 1.967 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158707097 530535288 /nfs/dbraw/zinc/53/52/88/530535288.db2.gz PVADCHNBVLYIBY-KRWDZBQOSA-N 1 0 394.269 1.387 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1cc(C(F)(F)F)ccc1F ZINC000158943373 530537649 /nfs/dbraw/zinc/53/76/49/530537649.db2.gz NLRYXZATPPUNMC-LBPRGKRZSA-N 1 0 384.395 1.970 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1Br ZINC000158944165 530537865 /nfs/dbraw/zinc/53/78/65/530537865.db2.gz VKHRBWJBTBHFNP-LBPRGKRZSA-N 1 0 377.304 1.574 20 0 GDADRO C[C@H]1Cc2cc(S(=O)(=O)NCCC[NH+]3CCC(O)CC3)cc(Cl)c2O1 ZINC000159019359 530539071 /nfs/dbraw/zinc/53/90/71/530539071.db2.gz NCQITZJFKBVZBG-LBPRGKRZSA-N 1 0 388.917 1.789 20 0 GDADRO Cc1sc(Br)cc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000159010702 530539381 /nfs/dbraw/zinc/53/93/81/530539381.db2.gz KLIVNIKWALHBNG-UHFFFAOYSA-N 1 0 397.360 1.944 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC000159092371 530540059 /nfs/dbraw/zinc/54/00/59/530540059.db2.gz PGHXMDBALNKVKN-SNVBAGLBSA-N 1 0 390.303 1.168 20 0 GDADRO [NH3+]C[C@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)C1CC1 ZINC000159151992 530540679 /nfs/dbraw/zinc/54/06/79/530540679.db2.gz SDBMYKIYICZVLI-ZDUSSCGKSA-N 1 0 392.308 1.901 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000161647891 530562972 /nfs/dbraw/zinc/56/29/72/530562972.db2.gz JUXJZMKDCCAXIS-CYBMUJFWSA-N 1 0 378.441 1.659 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1F ZINC000161915837 530564612 /nfs/dbraw/zinc/56/46/12/530564612.db2.gz KWFLVUFRMSQREV-UWVGGRQHSA-N 1 0 393.278 1.991 20 0 GDADRO O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCC[NH2+]C1 ZINC000161960772 530565079 /nfs/dbraw/zinc/56/50/79/530565079.db2.gz IBZZGYUBMRHBNP-CQSZACIVSA-N 1 0 385.555 1.581 20 0 GDADRO Cn1ccnc1Sc1ncc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1Cl ZINC000162427973 530567958 /nfs/dbraw/zinc/56/79/58/530567958.db2.gz OBRYOOAKVOJIMR-GFCCVEGCSA-N 1 0 380.905 1.335 20 0 GDADRO CN1CCN(C(=O)CSCc2ccc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000162364938 530568239 /nfs/dbraw/zinc/56/82/39/530568239.db2.gz ZENMGEDQSSBKJQ-ZDUSSCGKSA-N 1 0 390.322 1.923 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000162381780 530568279 /nfs/dbraw/zinc/56/82/79/530568279.db2.gz AIUUGVHOIIUJEJ-IRXDYDNUSA-N 1 0 396.329 1.721 20 0 GDADRO O[C@H](C[NH2+]Cc1cncnc1)COc1ccc(I)cc1 ZINC000171136179 530594818 /nfs/dbraw/zinc/59/48/18/530594818.db2.gz ACRGZXDFZOHEIM-CYBMUJFWSA-N 1 0 385.205 1.611 20 0 GDADRO COCC[N@H+](C)CCNC(=O)c1cc(I)ccc1O ZINC000171129954 530594990 /nfs/dbraw/zinc/59/49/90/530594990.db2.gz HEXHVMGPVHAUBS-UHFFFAOYSA-N 1 0 378.210 1.305 20 0 GDADRO COCC[N@H+](C)CCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000171127851 530595150 /nfs/dbraw/zinc/59/51/50/530595150.db2.gz ZUBZRLHJVJKPIL-JTQLQIEISA-N 1 0 392.319 1.323 20 0 GDADRO CC1(C)CC(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC(C)(C)[NH2+]1 ZINC000029788056 530595716 /nfs/dbraw/zinc/59/57/16/530595716.db2.gz SKCXIEMQFUQGSC-UHFFFAOYSA-N 1 0 387.571 1.879 20 0 GDADRO C[NH+](C)Cc1cccc(CNC(=O)CCNS(=O)(=O)c2cccs2)c1 ZINC000029975034 530597126 /nfs/dbraw/zinc/59/71/26/530597126.db2.gz QHTUDDPSJSNHCP-UHFFFAOYSA-N 1 0 381.523 1.795 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCS(C)(=O)=O)cc1 ZINC000171375898 530598278 /nfs/dbraw/zinc/59/82/78/530598278.db2.gz VIGYYDOXCVOMRB-CQSZACIVSA-N 1 0 376.544 1.802 20 0 GDADRO NS(=O)(=O)CCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000171716278 530602133 /nfs/dbraw/zinc/60/21/33/530602133.db2.gz RIKBQZVVYGRREP-UHFFFAOYSA-N 1 0 388.921 1.140 20 0 GDADRO O=S(=O)(N1CCC(C[NH2+]Cc2cnn3ccccc23)CC1)C(F)(F)F ZINC000171966225 530606388 /nfs/dbraw/zinc/60/63/88/530606388.db2.gz ZQWRNXXPJMOLCD-UHFFFAOYSA-N 1 0 376.404 1.986 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000172303261 530611650 /nfs/dbraw/zinc/61/16/50/530611650.db2.gz QLEFEWXAKXBYKQ-SXBQZSJRSA-N 1 0 385.917 1.758 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000172390371 530612655 /nfs/dbraw/zinc/61/26/55/530612655.db2.gz WQCGYWQBLZTZHP-CYBMUJFWSA-N 1 0 396.289 1.578 20 0 GDADRO [NH3+]CC1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 ZINC000036296747 530613867 /nfs/dbraw/zinc/61/38/67/530613867.db2.gz NTSHMBKRJXQVSR-UHFFFAOYSA-N 1 0 380.251 1.651 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000170363629 530585931 /nfs/dbraw/zinc/58/59/31/530585931.db2.gz URMMLWLKXOJKSD-UHFFFAOYSA-N 1 0 378.782 1.319 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)N1CC[NH+](C)CC1 ZINC000173203624 530626506 /nfs/dbraw/zinc/62/65/06/530626506.db2.gz CDKWYUHNBVBRCN-LLVKDONJSA-N 1 0 394.310 1.502 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000174136994 530643651 /nfs/dbraw/zinc/64/36/51/530643651.db2.gz OIIJYHZKDBEXQE-LLVKDONJSA-N 1 0 379.935 1.623 20 0 GDADRO O=S(=O)(NC[C@@H]1CCCC[NH2+]1)c1ccc(I)cc1 ZINC000044492901 530639411 /nfs/dbraw/zinc/63/94/11/530639411.db2.gz BMIHVYKQDHWMIE-NSHDSACASA-N 1 0 380.251 1.712 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000174115696 530644134 /nfs/dbraw/zinc/64/41/34/530644134.db2.gz RXDVTKNOXPHMGI-UHFFFAOYSA-N 1 0 393.962 1.918 20 0 GDADRO CCOc1c(Br)cc(C[NH2+]CCCNS(C)(=O)=O)cc1OC ZINC000044862169 530641190 /nfs/dbraw/zinc/64/11/90/530641190.db2.gz LHUXSZDJEUJTDD-UHFFFAOYSA-N 1 0 395.319 1.885 20 0 GDADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000172970422 530620449 /nfs/dbraw/zinc/62/04/49/530620449.db2.gz HXOLUQLCNINPHZ-CQSZACIVSA-N 1 0 384.318 1.970 20 0 GDADRO C[NH+]1CCC(CNC(=O)c2ccccc2Br)(N2CCOCC2)CC1 ZINC000040616298 530620472 /nfs/dbraw/zinc/62/04/72/530620472.db2.gz CSVCHOMKMWWXID-UHFFFAOYSA-N 1 0 396.329 1.976 20 0 GDADRO C[C@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)CCS(C)(=O)=O)cc2)C1 ZINC000173031084 530621446 /nfs/dbraw/zinc/62/14/46/530621446.db2.gz VQSLVYLVGHZFBX-HNNXBMFYSA-N 1 0 388.555 1.383 20 0 GDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccc(Br)o1 ZINC000176306837 530680704 /nfs/dbraw/zinc/68/07/04/530680704.db2.gz ATVPKDCXUPGEJM-NEPJUHHUSA-N 1 0 384.274 1.857 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000174538659 530649982 /nfs/dbraw/zinc/64/99/82/530649982.db2.gz FBQSDXVFYRSZTL-AWEZNQCLSA-N 1 0 385.555 1.946 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000174491226 530650100 /nfs/dbraw/zinc/65/01/00/530650100.db2.gz LXVUHKNUOXAATN-CABCVRRESA-N 1 0 385.555 1.701 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000047064877 530655515 /nfs/dbraw/zinc/65/55/15/530655515.db2.gz MPIMFMKJHDMDMP-ZDUSSCGKSA-N 1 0 393.285 1.760 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000047064876 530655589 /nfs/dbraw/zinc/65/55/89/530655589.db2.gz MPIMFMKJHDMDMP-CYBMUJFWSA-N 1 0 393.285 1.760 20 0 GDADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccs1)C2 ZINC000175058420 530658676 /nfs/dbraw/zinc/65/86/76/530658676.db2.gz VTBWFDWTGCBQLY-QLFBSQMISA-N 1 0 385.555 1.889 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000175242422 530661853 /nfs/dbraw/zinc/66/18/53/530661853.db2.gz QEODPSKWEQNNBB-UHFFFAOYSA-N 1 0 390.253 1.611 20 0 GDADRO C[NH+]1CCN(CCNC(=O)CCCOc2ccccc2Br)CC1 ZINC000047840441 530663199 /nfs/dbraw/zinc/66/31/99/530663199.db2.gz MWWMWEOIWWEQJY-UHFFFAOYSA-N 1 0 384.318 1.972 20 0 GDADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(OC)ccc1Br ZINC000175308307 530663260 /nfs/dbraw/zinc/66/32/60/530663260.db2.gz MBBKLBNXSVVLOZ-UHFFFAOYSA-N 1 0 395.319 1.704 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NCCNS(C)(=O)=O)c1ccccc1Cl ZINC000047926681 530663910 /nfs/dbraw/zinc/66/39/10/530663910.db2.gz LTRWQIFAAJYLIF-OAHLLOKOSA-N 1 0 390.937 1.571 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000048758767 530671105 /nfs/dbraw/zinc/67/11/05/530671105.db2.gz VNDCOVXXXILFIJ-GFCCVEGCSA-N 1 0 387.221 1.440 20 0 GDADRO CCS(=O)(=O)N(C)CCCNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000049208286 530672530 /nfs/dbraw/zinc/67/25/30/530672530.db2.gz FNHWILAQIUKTNF-IYBDPMFKSA-N 1 0 376.567 1.325 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000176048797 530675620 /nfs/dbraw/zinc/67/56/20/530675620.db2.gz YSBMDTHURAGACF-UHFFFAOYSA-N 1 0 375.803 1.787 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000176192723 530678856 /nfs/dbraw/zinc/67/88/56/530678856.db2.gz UFWNMURVICFLKZ-HNNXBMFYSA-N 1 0 381.523 1.997 20 0 GDADRO C[C@H](CNC(=O)Cn1cnc2ccc(Br)cc2c1=O)[NH+]1CCCC1 ZINC000052641571 530686793 /nfs/dbraw/zinc/68/67/93/530686793.db2.gz WWUWFITWIWIIQL-GFCCVEGCSA-N 1 0 393.285 1.760 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000177051896 530695966 /nfs/dbraw/zinc/69/59/66/530695966.db2.gz JGFRQTUPIXOWTE-UHFFFAOYSA-N 1 0 385.486 1.705 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1Br ZINC000177540401 530705439 /nfs/dbraw/zinc/70/54/39/530705439.db2.gz LTMXPXDCAMZFRT-GFCCVEGCSA-N 1 0 384.274 1.949 20 0 GDADRO CN(CC[NH+](C)C)C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000177684382 530708475 /nfs/dbraw/zinc/70/84/75/530708475.db2.gz YWNUDGLPUMSXHI-UHFFFAOYSA-N 1 0 396.285 1.845 20 0 GDADRO [NH3+][C@H](C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000178022459 530714885 /nfs/dbraw/zinc/71/48/85/530714885.db2.gz SUIJILJGZRGGNK-INIZCTEOSA-N 1 0 379.507 1.717 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000176473742 530684084 /nfs/dbraw/zinc/68/40/84/530684084.db2.gz QVFRRRMQYRPYNI-UHFFFAOYSA-N 1 0 398.276 1.968 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)s1 ZINC000061185514 530740483 /nfs/dbraw/zinc/74/04/83/530740483.db2.gz NURIUFQUULQWDG-UHFFFAOYSA-N 1 0 388.559 1.720 20 0 GDADRO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000061632030 530741763 /nfs/dbraw/zinc/74/17/63/530741763.db2.gz FOHPFUYSENRAHI-OLZOCXBDSA-N 1 0 388.559 1.576 20 0 GDADRO O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NC[C@H]1CCC[NH2+]1 ZINC000178787610 530728279 /nfs/dbraw/zinc/72/82/79/530728279.db2.gz ZLOWDVKVSUHUBY-GFCCVEGCSA-N 1 0 394.269 1.694 20 0 GDADRO C[N@H+](CCNS(=O)(=O)c1cc2c(cc1Br)OCCO2)C1CC1 ZINC000057922439 530729627 /nfs/dbraw/zinc/72/96/27/530729627.db2.gz GXVPMZPSKYIANA-UHFFFAOYSA-N 1 0 391.287 1.593 20 0 GDADRO C[C@@H]([NH3+])CCNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000178913702 530730831 /nfs/dbraw/zinc/73/08/31/530730831.db2.gz MUQATFYLGAQHFJ-MRVPVSSYSA-N 1 0 376.276 1.349 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000178939899 530731626 /nfs/dbraw/zinc/73/16/26/530731626.db2.gz CUYDWQPCTYGVQS-JTQLQIEISA-N 1 0 375.288 1.582 20 0 GDADRO C[N@H+](CCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1)C1CC1 ZINC000058858753 530734640 /nfs/dbraw/zinc/73/46/40/530734640.db2.gz XUYZBLYUWDZHBY-UHFFFAOYSA-N 1 0 389.568 1.310 20 0 GDADRO CC1CC[NH+](CCCNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000065624827 530755099 /nfs/dbraw/zinc/75/50/99/530755099.db2.gz JNIAVNXOGZCMGK-UHFFFAOYSA-N 1 0 381.278 1.739 20 0 GDADRO C[C@H](CNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)[NH+](C)C ZINC000065843663 530756563 /nfs/dbraw/zinc/75/65/63/530756563.db2.gz SIEGWTZVSKVWCY-CYBMUJFWSA-N 1 0 381.523 1.907 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cnn3cc(Br)cnc23)CC[N@@H+]1C[C@@H](C)O ZINC000179643772 530746144 /nfs/dbraw/zinc/74/61/44/530746144.db2.gz XAECTHBUIGVZCC-DGCLKSJQSA-N 1 0 396.289 1.409 20 0 GDADRO C[NH+](C)C1(CNc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CCCCC1 ZINC000067095248 530772252 /nfs/dbraw/zinc/77/22/52/530772252.db2.gz QYOPGXWVESCDDB-UHFFFAOYSA-N 1 0 389.543 1.414 20 0 GDADRO COc1c(Br)cccc1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000181261481 530780877 /nfs/dbraw/zinc/78/08/77/530780877.db2.gz GBGUKIFCFWVDCH-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO C[C@@H](CNC(=O)Cn1cnc2ccc(Br)cc2c1=O)[N@H+](C)C1CC1 ZINC000068216225 530785077 /nfs/dbraw/zinc/78/50/77/530785077.db2.gz QSWMBJCBMCSGNJ-NSHDSACASA-N 1 0 393.285 1.758 20 0 GDADRO CC(C)S(=O)(=O)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180528020 530767549 /nfs/dbraw/zinc/76/75/49/530767549.db2.gz NRDDNAQAXNBGOV-CQSZACIVSA-N 1 0 376.544 1.801 20 0 GDADRO C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000070690422 530802019 /nfs/dbraw/zinc/80/20/19/530802019.db2.gz OHYXCOJESBFADQ-UKRRQHHQSA-N 1 0 381.523 1.834 20 0 GDADRO CC[NH+](CC)CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000072871716 530806630 /nfs/dbraw/zinc/80/66/30/530806630.db2.gz VBENYYKGGYHLNK-UHFFFAOYSA-N 1 0 375.922 1.809 20 0 GDADRO CCCC[NH+]1CCC(NC(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC000068450116 530788120 /nfs/dbraw/zinc/78/81/20/530788120.db2.gz FSDMUBBEEIQPIJ-UHFFFAOYSA-N 1 0 380.440 1.708 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000181674976 530788640 /nfs/dbraw/zinc/78/86/40/530788640.db2.gz OSMSWWKNBMCFEL-YGRLFVJLSA-N 1 0 389.880 1.683 20 0 GDADRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(S(N)(=O)=O)c1 ZINC000181722577 530790412 /nfs/dbraw/zinc/79/04/12/530790412.db2.gz KOOVYVSBWZPSOU-CHWSQXEVSA-N 1 0 379.404 1.538 20 0 GDADRO CC(C)C[NH+]1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000102688835 530828667 /nfs/dbraw/zinc/82/86/67/530828667.db2.gz DVQJFHRFHDISQQ-UHFFFAOYSA-N 1 0 387.933 1.956 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000102669469 530828906 /nfs/dbraw/zinc/82/89/06/530828906.db2.gz MRGWQYFOPBIWIV-AWEZNQCLSA-N 1 0 385.302 1.991 20 0 GDADRO COc1cc(Br)ccc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000102788437 530829984 /nfs/dbraw/zinc/82/99/84/530829984.db2.gz SAQLAAHUIAUKCB-LBPRGKRZSA-N 1 0 398.301 1.775 20 0 GDADRO O=C1C[C@@H]([NH2+]Cc2sccc2Br)CN1CCN1CCOCC1 ZINC000185037534 530835702 /nfs/dbraw/zinc/83/57/02/530835702.db2.gz LXCRFIBFFDFFPL-GFCCVEGCSA-N 1 0 388.331 1.533 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000103498328 530835837 /nfs/dbraw/zinc/83/58/37/530835837.db2.gz YHOMGXLRDOMEPZ-UHFFFAOYSA-N 1 0 391.896 1.654 20 0 GDADRO C[C@H](CCNC(=O)c1nc2ncc(Br)cn2n1)[NH+]1CCCCC1 ZINC000183165413 530810649 /nfs/dbraw/zinc/81/06/49/530810649.db2.gz UKQSZFHGTREYHX-LLVKDONJSA-N 1 0 381.278 1.881 20 0 GDADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[NH+](CC2CC2)CC1 ZINC000183172853 530810827 /nfs/dbraw/zinc/81/08/27/530810827.db2.gz FKKKDZMSBCHEBZ-UHFFFAOYSA-N 1 0 394.269 1.948 20 0 GDADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1c[nH]c2nccc(Cl)c12 ZINC000093920103 530814469 /nfs/dbraw/zinc/81/44/69/530814469.db2.gz ZDIVEYJRESHJHU-GFCCVEGCSA-N 1 0 386.905 1.732 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cnn2cc(Br)cnc12 ZINC000094122125 530815854 /nfs/dbraw/zinc/81/58/54/530815854.db2.gz QUSWYIGKAFIROY-UHFFFAOYSA-N 1 0 398.305 1.922 20 0 GDADRO NS(=O)(=O)CCC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183817614 530820432 /nfs/dbraw/zinc/82/04/32/530820432.db2.gz RKQJIAOFCUBIRQ-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000183953676 530822026 /nfs/dbraw/zinc/82/20/26/530822026.db2.gz UFZMNZDZOWRDBP-UHFFFAOYSA-N 1 0 382.262 1.074 20 0 GDADRO C[C@@H](CNC(=O)c1nc2ncc(Br)cn2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000098035829 530822029 /nfs/dbraw/zinc/82/20/29/530822029.db2.gz FFMBONVILUWHFR-QWRGUYRKSA-N 1 0 381.278 1.737 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc(C)ccc1I ZINC000183969598 530823343 /nfs/dbraw/zinc/82/33/43/530823343.db2.gz BNIIYCJTWKWQJY-UHFFFAOYSA-N 1 0 376.238 1.644 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106787860 530850112 /nfs/dbraw/zinc/85/01/12/530850112.db2.gz RZTNISHLGKTVMO-LLVKDONJSA-N 1 0 391.946 1.813 20 0 GDADRO CC(C)(CC(N)=O)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000186243552 530853584 /nfs/dbraw/zinc/85/35/84/530853584.db2.gz ZTVIPOSGIMSNPQ-UHFFFAOYSA-N 1 0 375.210 1.473 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000107600062 530854587 /nfs/dbraw/zinc/85/45/87/530854587.db2.gz CPMNFEBQKHHTRF-GFCCVEGCSA-N 1 0 391.946 1.767 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000107600060 530854729 /nfs/dbraw/zinc/85/47/29/530854729.db2.gz CPMNFEBQKHHTRF-LBPRGKRZSA-N 1 0 391.946 1.767 20 0 GDADRO C[C@H](NC(=O)CNS(=O)(=O)c1cccs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186487144 530857216 /nfs/dbraw/zinc/85/72/16/530857216.db2.gz HANUIMBFXVKXKO-GUYCJALGSA-N 1 0 381.523 1.834 20 0 GDADRO C[C@@H](NC(=O)CNS(=O)(=O)c1cccs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186487161 530857447 /nfs/dbraw/zinc/85/74/47/530857447.db2.gz HANUIMBFXVKXKO-DYVFJYSZSA-N 1 0 381.523 1.834 20 0 GDADRO C[C@H]([NH2+]Cc1cc(Br)cs1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000111402578 530874834 /nfs/dbraw/zinc/87/48/34/530874834.db2.gz WWQYGQULYJZRMG-UWVGGRQHSA-N 1 0 395.344 1.540 20 0 GDADRO CNC(=O)CC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000186722770 530860702 /nfs/dbraw/zinc/86/07/02/530860702.db2.gz HHZSKBUJTQSZPU-UHFFFAOYSA-N 1 0 398.301 1.545 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000109258092 530862351 /nfs/dbraw/zinc/86/23/51/530862351.db2.gz STPAKYNTPLTLCF-UHFFFAOYSA-N 1 0 381.889 1.360 20 0 GDADRO C[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1O ZINC000186784567 530862546 /nfs/dbraw/zinc/86/25/46/530862546.db2.gz CQWGVZSTNNTNPE-CJNGLKHVSA-N 1 0 385.302 1.989 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186866756 530863945 /nfs/dbraw/zinc/86/39/45/530863945.db2.gz LYVPGSORDSIDNH-UHFFFAOYSA-N 1 0 380.440 1.729 20 0 GDADRO Cc1ccc(CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1Br ZINC000187097326 530867704 /nfs/dbraw/zinc/86/77/04/530867704.db2.gz ODKGFMTWMCQBDZ-UHFFFAOYSA-N 1 0 382.302 1.532 20 0 GDADRO CNS(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000187196727 530868518 /nfs/dbraw/zinc/86/85/18/530868518.db2.gz DQVQPLRSWHMROT-SNVBAGLBSA-N 1 0 378.292 1.305 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000187246059 530869681 /nfs/dbraw/zinc/86/96/81/530869681.db2.gz VEZBHMDEJKNUAE-OAHLLOKOSA-N 1 0 390.253 1.264 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000110996624 530871269 /nfs/dbraw/zinc/87/12/69/530871269.db2.gz KHGHAHJOAIJXMY-ZFWWWQNUSA-N 1 0 387.933 1.997 20 0 GDADRO O=C1[C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)CCN1CC(F)(F)F ZINC000111194157 530872996 /nfs/dbraw/zinc/87/29/96/530872996.db2.gz GDGMZOVYKDNQTD-CHWSQXEVSA-N 1 0 377.432 1.874 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1c[nH]nc1-c1cccs1)NC[C@@H]1CCCCO1 ZINC000111405012 530875408 /nfs/dbraw/zinc/87/54/08/530875408.db2.gz FWDSCZPUTIBMFB-AWEZNQCLSA-N 1 0 384.527 1.716 20 0 GDADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)[C@H]3CCN(c4ccccc4Br)C3=O)C[C@@H]12 ZINC000185165891 530837879 /nfs/dbraw/zinc/83/78/79/530837879.db2.gz OFTDQMQMGVAJLT-BHPKHCPMSA-N 1 0 392.297 1.998 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000185213220 530837955 /nfs/dbraw/zinc/83/79/55/530837955.db2.gz QAKXFIGUPFLKQK-UHFFFAOYSA-N 1 0 397.317 1.915 20 0 GDADRO C[NH+](C)C1CCN(CCNC(=O)N2CCSC[C@H]2c2nccs2)CC1 ZINC000185606452 530844206 /nfs/dbraw/zinc/84/42/06/530844206.db2.gz ANUMCFIQQJIHAK-HNNXBMFYSA-N 1 0 383.587 1.969 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)C1 ZINC000115873963 530902036 /nfs/dbraw/zinc/90/20/36/530902036.db2.gz LIHPGQMPOVTAAI-YDBLSZJJSA-N 1 0 385.917 1.567 20 0 GDADRO CN1CC[C@H]([N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1=O ZINC000116273446 530904117 /nfs/dbraw/zinc/90/41/17/530904117.db2.gz VSYZHERWVOOXLR-AAEUAGOBSA-N 1 0 381.274 1.725 20 0 GDADRO CCS(=O)(=O)NC1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116438854 530905192 /nfs/dbraw/zinc/90/51/92/530905192.db2.gz NKMGVNBLHGKCFM-OAHLLOKOSA-N 1 0 376.567 1.466 20 0 GDADRO O=S(=O)(CCO)c1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000189166560 530909362 /nfs/dbraw/zinc/90/93/62/530909362.db2.gz XWGZKTNXDYYHES-UHFFFAOYSA-N 1 0 381.523 1.668 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000188207520 530888431 /nfs/dbraw/zinc/88/84/31/530888431.db2.gz BJSSRVCOHSTVSI-UHFFFAOYSA-N 1 0 381.889 1.638 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cc2ccc(Br)s2)C1 ZINC000114323823 530893772 /nfs/dbraw/zinc/89/37/72/530893772.db2.gz AJHCVPSATQGHHK-NSHDSACASA-N 1 0 388.331 1.757 20 0 GDADRO C[C@H](CNC(=O)C(=O)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000114379947 530894898 /nfs/dbraw/zinc/89/48/98/530894898.db2.gz MTGSYKAVUVAGQE-CYBMUJFWSA-N 1 0 382.302 1.632 20 0 GDADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000114400801 530895576 /nfs/dbraw/zinc/89/55/76/530895576.db2.gz BDQCXMSROFRCEG-LLVKDONJSA-N 1 0 389.315 1.876 20 0 GDADRO Cc1csc(C(=O)NC[C@](C)(O)C[NH+](C)C)c1I ZINC000188530775 530896171 /nfs/dbraw/zinc/89/61/71/530896171.db2.gz VHCKCBKNOSJSRD-LBPRGKRZSA-N 1 0 382.267 1.704 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(I)cc1 ZINC000118721899 530918806 /nfs/dbraw/zinc/91/88/06/530918806.db2.gz KNTGNVGHZIMVMY-UHFFFAOYSA-N 1 0 388.249 1.868 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000118897439 530919571 /nfs/dbraw/zinc/91/95/71/530919571.db2.gz MJCJHQWEKOASHD-LBPRGKRZSA-N 1 0 387.311 1.932 20 0 GDADRO C[S@](=O)Cc1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)ccc1Cl ZINC000189798706 530921386 /nfs/dbraw/zinc/92/13/86/530921386.db2.gz GIYBCVJKFCTQCZ-VWLOTQADSA-N 1 0 383.901 1.464 20 0 GDADRO Cc1csc([C@@H](C)CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)n1 ZINC000189818034 530921432 /nfs/dbraw/zinc/92/14/32/530921432.db2.gz JQLMHNFIYXZIPY-NSHDSACASA-N 1 0 385.559 1.908 20 0 GDADRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(NS(C)(=O)=O)c1 ZINC000119048190 530921937 /nfs/dbraw/zinc/92/19/37/530921937.db2.gz IFNUQVAVHLHNGY-GWCFXTLKSA-N 1 0 379.404 1.872 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc([S@](C)=O)c1)c1cccs1 ZINC000119147831 530922568 /nfs/dbraw/zinc/92/25/68/530922568.db2.gz KWXIVOAWHQIVCS-HWRSSNJWSA-N 1 0 379.507 1.843 20 0 GDADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)[C@H](C)[NH3+] ZINC000191989775 530958237 /nfs/dbraw/zinc/95/82/37/530958237.db2.gz FAGYIMHMEAODEU-MNOVXSKESA-N 1 0 394.324 1.810 20 0 GDADRO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000121642422 530959344 /nfs/dbraw/zinc/95/93/44/530959344.db2.gz SFOMCQXQXKXYAG-UHFFFAOYSA-N 1 0 377.869 1.773 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121676465 530959994 /nfs/dbraw/zinc/95/99/94/530959994.db2.gz UIUJYGVUJAIUKI-UHFFFAOYSA-N 1 0 393.962 1.716 20 0 GDADRO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121700367 530960360 /nfs/dbraw/zinc/96/03/60/530960360.db2.gz HRMJBZCEJKWTDP-UHFFFAOYSA-N 1 0 387.468 1.389 20 0 GDADRO Cn1cc(S(=O)(=O)NCC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1 ZINC000192062628 530960589 /nfs/dbraw/zinc/96/05/89/530960589.db2.gz KPEZZLSLEALJIA-HOTGVXAUSA-N 1 0 384.889 1.472 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192068707 530960736 /nfs/dbraw/zinc/96/07/36/530960736.db2.gz IFBOYDATGWOLQU-JKSUJKDBSA-N 1 0 376.906 1.716 20 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/nfs/dbraw/zinc/94/78/85/530947885.db2.gz KSCYDMNBKGGJMH-UHFFFAOYSA-N 1 0 394.946 1.754 20 0 GDADRO COCCN(CCCC(=O)NC(N)=O)Cc1sccc1Br ZINC000191431555 530948667 /nfs/dbraw/zinc/94/86/67/530948667.db2.gz FPIQJXVISVWBJY-UHFFFAOYSA-N 1 0 378.292 1.934 20 0 GDADRO COc1cc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000122590175 530974134 /nfs/dbraw/zinc/97/41/34/530974134.db2.gz CMPMHNIYPILKHF-CQSZACIVSA-N 1 0 388.917 1.930 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000193387093 530985330 /nfs/dbraw/zinc/98/53/30/530985330.db2.gz WNYAYCACUJAVTR-GFCCVEGCSA-N 1 0 383.290 1.973 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000122978906 530978216 /nfs/dbraw/zinc/97/82/16/530978216.db2.gz BMJUXINYIGOUJT-OAHLLOKOSA-N 1 0 382.302 1.996 20 0 GDADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C)n2)C1 ZINC000193081052 530978858 /nfs/dbraw/zinc/97/88/58/530978858.db2.gz CGULNYAZCDJOOX-GFCCVEGCSA-N 1 0 383.290 1.939 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000123150393 530980069 /nfs/dbraw/zinc/98/00/69/530980069.db2.gz VEZVWNBHXOSJFA-HNNXBMFYSA-N 1 0 385.917 1.576 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000123221747 530980783 /nfs/dbraw/zinc/98/07/83/530980783.db2.gz YXTRPLZDTVYGGU-NSHDSACASA-N 1 0 391.896 1.930 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193240038 530982199 /nfs/dbraw/zinc/98/21/99/530982199.db2.gz XZCQWXFOAOLCNO-VXGBXAGGSA-N 1 0 375.288 1.932 20 0 GDADRO CC1(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000193386888 530985614 /nfs/dbraw/zinc/98/56/14/530985614.db2.gz BAWSZDZQFUEMOR-UHFFFAOYSA-N 1 0 379.404 1.242 20 0 GDADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccc(I)c2)C1 ZINC000193327029 530984128 /nfs/dbraw/zinc/98/41/28/530984128.db2.gz DDCIGESYRZUCGM-LLVKDONJSA-N 1 0 380.251 1.664 20 0 GDADRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)c1 ZINC000123494605 530984562 /nfs/dbraw/zinc/98/45/62/530984562.db2.gz DGRQKMGLJTZTSB-UHFFFAOYSA-N 1 0 390.347 1.707 20 0 GDADRO C[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccs1)[NH+]1CCC(C)CC1 ZINC000122132360 530967701 /nfs/dbraw/zinc/96/77/01/530967701.db2.gz IGJFDFPOGAOFLL-AWEZNQCLSA-N 1 0 388.559 1.446 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)C[NH+]1CCN(C)CC1 ZINC000122202018 530968259 /nfs/dbraw/zinc/96/82/59/530968259.db2.gz AKHDMMZPXZYRTO-GFCCVEGCSA-N 1 0 387.311 1.932 20 0 GDADRO O=C(NC[C@@H]1CCCN(C(=O)c2occc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000122225166 530968268 /nfs/dbraw/zinc/96/82/68/530968268.db2.gz VLXRKMGVNCPMTC-AAEUAGOBSA-N 1 0 384.274 1.763 20 0 GDADRO Cc1c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nnn1-c1cccc(Br)c1 ZINC000192493592 530968740 /nfs/dbraw/zinc/96/87/40/530968740.db2.gz NMYCIRBMQKIQAA-BETUJISGSA-N 1 0 390.285 1.972 20 0 GDADRO CCc1nc(CCNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)cs1 ZINC000192587377 530969797 /nfs/dbraw/zinc/96/97/97/530969797.db2.gz MZBOJEIIKOQKIX-UHFFFAOYSA-N 1 0 385.559 1.601 20 0 GDADRO 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C[C@@H]1C[C@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)CC[NH2+]1 ZINC000262892273 531133976 /nfs/dbraw/zinc/13/39/76/531133976.db2.gz ORFMBFMOYMZUTM-ZYHUDNBSSA-N 1 0 386.265 1.965 20 0 GDADRO O=C(CN1CCCS1(=O)=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262958866 531135460 /nfs/dbraw/zinc/13/54/60/531135460.db2.gz PWAXEYFGYQDOIK-OAHLLOKOSA-N 1 0 383.539 1.254 20 0 GDADRO NS(=O)(=O)N1CCC(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000263019662 531137016 /nfs/dbraw/zinc/13/70/16/531137016.db2.gz SIOLIEBPZKYSEY-UHFFFAOYSA-N 1 0 380.392 1.018 20 0 GDADRO CC(C)N(CC[NH+](C)C)C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000151932382 531144953 /nfs/dbraw/zinc/14/49/53/531144953.db2.gz VZAMITGOTHIPIX-UHFFFAOYSA-N 1 0 395.301 1.958 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000152286068 531149467 /nfs/dbraw/zinc/14/94/67/531149467.db2.gz HDBMMJCFXKQONV-HNNXBMFYSA-N 1 0 398.276 1.967 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cs1 ZINC000152354202 531150123 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C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000264435168 531184479 /nfs/dbraw/zinc/18/44/79/531184479.db2.gz BFIIFJSDWSHAHA-IUODEOHRSA-N 1 0 398.301 1.672 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000264501142 531188266 /nfs/dbraw/zinc/18/82/66/531188266.db2.gz REVXBUCFVCBUBV-LBPRGKRZSA-N 1 0 381.527 1.522 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCOc1cccc(Br)c1 ZINC000264517669 531188799 /nfs/dbraw/zinc/18/87/99/531188799.db2.gz MIUWGQIENUABKX-HNNXBMFYSA-N 1 0 398.301 1.674 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000154835826 531190212 /nfs/dbraw/zinc/19/02/12/531190212.db2.gz XTWWWSBHKRALOO-UHFFFAOYSA-N 1 0 382.302 1.979 20 0 GDADRO C[NH+]1CCN(c2cc(CNC(=O)c3cccc(Br)n3)ccn2)CC1 ZINC000154958505 531192269 /nfs/dbraw/zinc/19/22/69/531192269.db2.gz RASGXUJHKSHNSK-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(I)c(F)c1 ZINC000264673765 531196800 /nfs/dbraw/zinc/19/68/00/531196800.db2.gz 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O=C(C(=O)N1CCc2cc(Cl)cc(Cl)c2C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000519595704 531215701 /nfs/dbraw/zinc/21/57/01/531215701.db2.gz SLEZQRKBNGALIH-STQMWFEESA-N 1 0 382.291 1.946 20 0 GDADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000433087853 531216033 /nfs/dbraw/zinc/21/60/33/531216033.db2.gz KMJOJAHMHASYKX-AWEZNQCLSA-N 1 0 379.448 1.911 20 0 GDADRO CC(C)[C@@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000433147407 531217203 /nfs/dbraw/zinc/21/72/03/531217203.db2.gz OFDGPIUPCQIKFI-GFCCVEGCSA-N 1 0 375.441 1.029 20 0 GDADRO NC(=O)c1ccc(NC(=O)CC[N@H+](CCO)[C@H]2CCCSC2)cc1Cl ZINC000433206482 531218764 /nfs/dbraw/zinc/21/87/64/531218764.db2.gz IJCKLCZGCNCFLR-ZDUSSCGKSA-N 1 0 385.917 1.957 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290281086 531221302 /nfs/dbraw/zinc/22/13/02/531221302.db2.gz ZNXKSVVBNUJTBE-GARJFASQSA-N 1 0 386.315 1.697 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000472217099 531221666 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20 0 GDADRO C[NH+]1CCC(CCO)(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000472471766 531230287 /nfs/dbraw/zinc/23/02/87/531230287.db2.gz BJLWYOUQTIRVMU-OAHLLOKOSA-N 1 0 383.286 1.716 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000472427113 531230949 /nfs/dbraw/zinc/23/09/49/531230949.db2.gz HYPNQZHZYBZHGD-GFCCVEGCSA-N 1 0 387.889 1.235 20 0 GDADRO C[NH+](C)CCOc1cc(CNc2cc(Br)cnc2C(N)=O)ccn1 ZINC000472497890 531231611 /nfs/dbraw/zinc/23/16/11/531231611.db2.gz LCHMGKYCURZVAJ-UHFFFAOYSA-N 1 0 394.273 1.891 20 0 GDADRO C[C@@H](Oc1ccccc1Br)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000521040367 531238609 /nfs/dbraw/zinc/23/86/09/531238609.db2.gz BOBXVTMISQLGDT-SNVBAGLBSA-N 1 0 395.261 1.383 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000472738676 531238718 /nfs/dbraw/zinc/23/87/18/531238718.db2.gz TWYJUUYDANHKOG-GFCCVEGCSA-N 1 0 380.436 1.405 20 0 GDADRO C[C@H](CN1CCOCC1)[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000434702917 531247660 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O=S(=O)(CC[NH2+]Cc1cnc2ccc(Cl)cn12)NC[C@H]1CCCCO1 ZINC000265640859 531273806 /nfs/dbraw/zinc/27/38/06/531273806.db2.gz IVKNFDKFVPYZFB-OAHLLOKOSA-N 1 0 386.905 1.566 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000291069111 531274406 /nfs/dbraw/zinc/27/44/06/531274406.db2.gz MKJDJZPOAHDZIS-NSHDSACASA-N 1 0 381.479 1.536 20 0 GDADRO O=C(c1cc[nH]c(=O)c1Br)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000436404104 531278479 /nfs/dbraw/zinc/27/84/79/531278479.db2.gz CKYLJPKWESKMRK-UHFFFAOYSA-N 1 0 384.274 1.734 20 0 GDADRO C[C@H]1CCCN1C(=O)CC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000524754869 531278922 /nfs/dbraw/zinc/27/89/22/531278922.db2.gz HGNCNWISSVXBIF-AWEZNQCLSA-N 1 0 385.555 1.892 20 0 GDADRO Cn1cc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C(F)F)n1 ZINC000291226811 531280160 /nfs/dbraw/zinc/28/01/60/531280160.db2.gz PIBUDJDOCKGUNR-UHFFFAOYSA-N 1 0 376.351 1.761 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)CC(C)(C)C)cc[nH+]1 ZINC000349513530 531281259 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CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527861040 531336926 /nfs/dbraw/zinc/33/69/26/531336926.db2.gz ZXONCOKVYGYZDG-INIZCTEOSA-N 1 0 375.897 1.633 20 0 GDADRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000440404987 531337038 /nfs/dbraw/zinc/33/70/38/531337038.db2.gz BKLUNJYXOMHZOZ-INIZCTEOSA-N 1 0 389.543 1.123 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527861049 531337237 /nfs/dbraw/zinc/33/72/37/531337237.db2.gz ZXONCOKVYGYZDG-MRXNPFEDSA-N 1 0 375.897 1.633 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000440396418 531337249 /nfs/dbraw/zinc/33/72/49/531337249.db2.gz DTBHHDGSARFKLP-JQFCIGGWSA-N 1 0 390.933 1.792 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000266299231 531337563 /nfs/dbraw/zinc/33/75/63/531337563.db2.gz NQGFFCGGXNELRB-AWEZNQCLSA-N 1 0 389.543 1.090 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000440409948 531337748 /nfs/dbraw/zinc/33/77/48/531337748.db2.gz VUWXSGBOKJPPIP-GFCCVEGCSA-N 1 0 381.523 1.925 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ncc1Br ZINC000278027412 531327419 /nfs/dbraw/zinc/32/74/19/531327419.db2.gz HOXVRDXXTGZHKN-GXFFZTMASA-N 1 0 381.274 1.690 20 0 GDADRO Cc1nc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1Br ZINC000278159267 531338995 /nfs/dbraw/zinc/33/89/95/531338995.db2.gz ZAIBXGSCLNMFQD-AAEUAGOBSA-N 1 0 381.274 1.644 20 0 GDADRO Cc1c(C(=O)N[C@H](C)CCCC[NH3+])cc(Br)cc1S(N)(=O)=O ZINC000292098420 531334017 /nfs/dbraw/zinc/33/40/17/531334017.db2.gz OCQDOTNXESAKFM-SECBINFHSA-N 1 0 392.319 1.652 20 0 GDADRO C[NH+](C)CCOc1cc(NC(=O)Cn2cc(Br)ccc2=O)ccn1 ZINC000478039906 531339117 /nfs/dbraw/zinc/33/91/17/531339117.db2.gz IOVGMPLMWJTRDI-UHFFFAOYSA-N 1 0 395.257 1.585 20 0 GDADRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000292107498 531334776 /nfs/dbraw/zinc/33/47/76/531334776.db2.gz GWUQJXGBYZLQBD-ABAIWWIYSA-N 1 0 398.301 1.185 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GDADRO O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000527986650 531339443 /nfs/dbraw/zinc/33/94/43/531339443.db2.gz QTNQUHSWKVLKGX-CABCVRRESA-N 1 0 389.880 1.500 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CC[NH2+]CC3(C)C)c(Cl)cc21 ZINC000528046315 531340187 /nfs/dbraw/zinc/34/01/87/531340187.db2.gz HGYHOQBELHMCFT-MRXNPFEDSA-N 1 0 385.917 1.915 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1F ZINC000528050353 531340211 /nfs/dbraw/zinc/34/02/11/531340211.db2.gz XINJTCIZCIYFTK-HNNXBMFYSA-N 1 0 393.506 1.206 20 0 GDADRO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000528048434 531340435 /nfs/dbraw/zinc/34/04/35/531340435.db2.gz IYLZEBNFEYCSFS-UHFFFAOYSA-N 1 0 376.404 1.631 20 0 GDADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440616831 531340868 /nfs/dbraw/zinc/34/08/68/531340868.db2.gz UAPNZKFXMXCHFN-UHFFFAOYSA-N 1 0 378.376 1.969 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(OC)cc1Br ZINC000440760959 531343931 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O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)Nc1ccc(I)cc1 ZINC000447919716 531441364 /nfs/dbraw/zinc/44/13/64/531441364.db2.gz FPNYLXHTNOHSQV-OLZOCXBDSA-N 1 0 390.221 1.359 20 0 GDADRO C[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Br)C[NH+](C)C ZINC000293770630 531442010 /nfs/dbraw/zinc/44/20/10/531442010.db2.gz NNXNLTRYLZOTSL-SECBINFHSA-N 1 0 378.292 1.024 20 0 GDADRO CC(C)[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)N1CCOCC1 ZINC000414289917 531437963 /nfs/dbraw/zinc/43/79/63/531437963.db2.gz WLDHWLRATLIHSA-HNNXBMFYSA-N 1 0 375.922 1.434 20 0 GDADRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1Cl ZINC000485668630 531438573 /nfs/dbraw/zinc/43/85/73/531438573.db2.gz CQBMDAULWINNOS-GFCCVEGCSA-N 1 0 375.878 1.430 20 0 GDADRO CS(=O)(=O)Nc1ccc(OCC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000293719604 531439566 /nfs/dbraw/zinc/43/95/66/531439566.db2.gz VKMNGLACFAOGEH-GOEBONIOSA-N 1 0 390.527 1.382 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000414359210 531443124 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O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)c2c(c1)OCCO2 ZINC000362993238 531467185 /nfs/dbraw/zinc/46/71/85/531467185.db2.gz DJUQQPSNXNAGMF-OLZOCXBDSA-N 1 0 397.269 1.813 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2Br)C1 ZINC000415350842 531477609 /nfs/dbraw/zinc/47/76/09/531477609.db2.gz GNQSYNBHIAZCHA-QMMMGPOBSA-N 1 0 391.063 1.710 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1)C(F)F ZINC000415208466 531468053 /nfs/dbraw/zinc/46/80/53/531468053.db2.gz BZWYIYALDHLMPY-CYBMUJFWSA-N 1 0 376.429 1.479 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2ccc(I)cc2)C1 ZINC000449267859 531468452 /nfs/dbraw/zinc/46/84/52/531468452.db2.gz BYEBSUNKFGUZQC-UHFFFAOYSA-N 1 0 394.278 1.662 20 0 GDADRO COC(=O)COC[C@H](C)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000449310126 531468659 /nfs/dbraw/zinc/46/86/59/531468659.db2.gz GKHBGZJOAZKJPL-JTQLQIEISA-N 1 0 383.388 1.777 20 0 GDADRO COCCOC1(C[NH2+][C@H](C)Cn2cc(Br)cn2)CCOCC1 ZINC000449395028 531469618 /nfs/dbraw/zinc/46/96/18/531469618.db2.gz TVXZCXOXHJTIDK-CYBMUJFWSA-N 1 0 376.295 1.836 20 0 GDADRO CN(CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000363026770 531469605 /nfs/dbraw/zinc/46/96/05/531469605.db2.gz MWNUQCANNIGOTE-LSDHHAIUSA-N 1 0 385.917 1.704 20 0 GDADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1ncc(I)s1 ZINC000449393727 531470633 /nfs/dbraw/zinc/47/06/33/531470633.db2.gz CSRDCEIWVVJDPM-SNVBAGLBSA-N 1 0 381.283 1.684 20 0 GDADRO [NH3+]C1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000415273473 531470816 /nfs/dbraw/zinc/47/08/16/531470816.db2.gz VDHFOZQWAIDFIJ-UHFFFAOYSA-N 1 0 377.242 1.886 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000449694117 531472637 /nfs/dbraw/zinc/47/26/37/531472637.db2.gz FYMNNJFQNHSGDX-ZDUSSCGKSA-N 1 0 394.269 1.549 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415300004 531472862 /nfs/dbraw/zinc/47/28/62/531472862.db2.gz NQMQSTIWBQDBHF-JTQLQIEISA-N 1 0 377.242 1.756 20 0 GDADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C1 ZINC000415358557 531478475 /nfs/dbraw/zinc/47/84/75/531478475.db2.gz UJMJHTJEXQTCPV-LBPRGKRZSA-N 1 0 382.917 1.639 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)Nc1cc(I)ccc1Cl ZINC000415362215 531479021 /nfs/dbraw/zinc/47/90/21/531479021.db2.gz PJXFBRKVWSIBEC-UHFFFAOYSA-N 1 0 381.601 1.219 20 0 GDADRO COC(=O)c1cc(I)cc(NC(=O)N[C@H](C)[C@H](C)[NH3+])c1 ZINC000415361834 531479295 /nfs/dbraw/zinc/47/92/95/531479295.db2.gz OMCMZURWJSKODW-JGVFFNPUSA-N 1 0 391.209 1.935 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000415367307 531480009 /nfs/dbraw/zinc/48/00/09/531480009.db2.gz JZNILPBJEMNCQK-UHFFFAOYSA-N 1 0 384.267 2.152 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1OCC ZINC000415372163 531480117 /nfs/dbraw/zinc/48/01/17/531480117.db2.gz UUYWLMJEIMJLQT-UHFFFAOYSA-N 1 0 376.226 1.651 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)CC(C)C ZINC000488150207 531481253 /nfs/dbraw/zinc/48/12/53/531481253.db2.gz ZXPKMKIZWHGZPQ-JKSUJKDBSA-N 1 0 376.567 1.418 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415387698 531481485 /nfs/dbraw/zinc/48/14/85/531481485.db2.gz XSMLMWBOPYWGBM-VIFPVBQESA-N 1 0 388.237 1.794 20 0 GDADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415385648 531481774 /nfs/dbraw/zinc/48/17/74/531481774.db2.gz VUJRCSPKBDVAGQ-UHFFFAOYSA-N 1 0 379.173 1.222 20 0 GDADRO CCCN(C(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)[C@@H]1CC[NH2+]C1 ZINC000415396315 531482337 /nfs/dbraw/zinc/48/23/37/531482337.db2.gz UFCMJWFVWQEPCA-GFCCVEGCSA-N 1 0 387.889 1.283 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000268193277 531483404 /nfs/dbraw/zinc/48/34/04/531483404.db2.gz NHTDEJIWBIVWOV-IUODEOHRSA-N 1 0 385.917 1.607 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000268193281 531483427 /nfs/dbraw/zinc/48/34/27/531483427.db2.gz NHTDEJIWBIVWOV-SWLSCSKDSA-N 1 0 385.917 1.607 20 0 GDADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1I ZINC000415547773 531493345 /nfs/dbraw/zinc/49/33/45/531493345.db2.gz PTXPIBXFBZGKNI-UHFFFAOYSA-N 1 0 395.628 1.561 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415412957 531484159 /nfs/dbraw/zinc/48/41/59/531484159.db2.gz YPKNTPOOOKFSOG-QMMMGPOBSA-N 1 0 376.201 1.782 20 0 GDADRO COc1cc(I)ccc1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000415416929 531484244 /nfs/dbraw/zinc/48/42/44/531484244.db2.gz LQQTXTAAWWIGPU-QMMMGPOBSA-N 1 0 391.209 1.044 20 0 GDADRO Cc1cc(F)c(NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)c(I)c1 ZINC000415411320 531484415 /nfs/dbraw/zinc/48/44/15/531484415.db2.gz WNHAXZQIMUZKLR-QWRGUYRKSA-N 1 0 393.200 1.535 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc3nccnc3c2Br)CC[C@@H]1[NH3+] ZINC000415429297 531484905 /nfs/dbraw/zinc/48/49/05/531484905.db2.gz DPHUAKUVPPLETJ-UWVGGRQHSA-N 1 0 392.257 1.527 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)CC[NH2+]1 ZINC000415424483 531484909 /nfs/dbraw/zinc/48/49/09/531484909.db2.gz BEADYHAJGJGCSY-SNVBAGLBSA-N 1 0 382.251 1.938 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)N(C)C[C@@H](O)C[NH3+] ZINC000415428220 531485145 /nfs/dbraw/zinc/48/51/45/531485145.db2.gz QAPAAZZBLDIWOV-NSHDSACASA-N 1 0 376.251 1.258 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)CC[NH2+]1 ZINC000415430296 531485165 /nfs/dbraw/zinc/48/51/65/531485165.db2.gz JJUCLFDJGPWPRA-NSHDSACASA-N 1 0 392.257 1.394 20 0 GDADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1ccncc1I ZINC000415432410 531485406 /nfs/dbraw/zinc/48/54/06/531485406.db2.gz WABYXWCNUMGSBR-HMKSTLMESA-N 1 0 386.237 1.746 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)CC[C@@H]1[NH3+] ZINC000415440943 531485979 /nfs/dbraw/zinc/48/59/79/531485979.db2.gz MVRMYXQHUIKSMV-ABAIWWIYSA-N 1 0 397.317 1.645 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000268222698 531486362 /nfs/dbraw/zinc/48/63/62/531486362.db2.gz MENIOLBKNULFDL-YUELXQCFSA-N 1 0 383.539 1.500 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cc2ccncc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000450121925 531486452 /nfs/dbraw/zinc/48/64/52/531486452.db2.gz LNHYWUHAZXKHNR-AWEZNQCLSA-N 1 0 381.523 1.877 20 0 GDADRO O=C(Nc1ccc(Br)cn1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415451240 531486895 /nfs/dbraw/zinc/48/68/95/531486895.db2.gz NHBCBKIARYFGKR-UHFFFAOYSA-N 1 0 381.274 1.773 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000415450675 531487006 /nfs/dbraw/zinc/48/70/06/531487006.db2.gz SAJMJMUJQYMWIU-WDEREUQCSA-N 1 0 384.274 1.982 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000415450672 531487083 /nfs/dbraw/zinc/48/70/83/531487083.db2.gz SAJMJMUJQYMWIU-GHMZBOCLSA-N 1 0 384.274 1.982 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1)C1CC1 ZINC000415448929 531487085 /nfs/dbraw/zinc/48/70/85/531487085.db2.gz LPPUTNCFWPEBDJ-ZDUSSCGKSA-N 1 0 392.257 1.427 20 0 GDADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N(CC[NH3+])CCO ZINC000415464979 531488949 /nfs/dbraw/zinc/48/89/49/531488949.db2.gz DUPHBZCWINGAER-UHFFFAOYSA-N 1 0 378.198 1.160 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415479747 531489754 /nfs/dbraw/zinc/48/97/54/531489754.db2.gz GMFNZSBHGLOSMF-UHFFFAOYSA-N 1 0 386.265 1.921 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415470843 531490175 /nfs/dbraw/zinc/49/01/75/531490175.db2.gz YJLCDHUQRSDHBW-PWSUYJOCSA-N 1 0 384.274 1.982 20 0 GDADRO Cc1ccc(I)cc1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415505036 531490876 /nfs/dbraw/zinc/49/08/76/531490876.db2.gz HLVRDACNCONXJX-NSHDSACASA-N 1 0 375.210 1.791 20 0 GDADRO CSc1cc(Br)ccc1C[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000294675162 531490950 /nfs/dbraw/zinc/49/09/50/531490950.db2.gz BENCAHXZBYSGJG-CYBMUJFWSA-N 1 0 380.329 1.810 20 0 GDADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccncc1I ZINC000545426738 531490979 /nfs/dbraw/zinc/49/09/79/531490979.db2.gz GSIHDQWPUSHNPA-CYBMUJFWSA-N 1 0 388.253 1.912 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415518480 531491589 /nfs/dbraw/zinc/49/15/89/531491589.db2.gz MXVPYIWBMQWIGY-UHFFFAOYSA-N 1 0 380.246 1.447 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC ZINC000415517100 531491683 /nfs/dbraw/zinc/49/16/83/531491683.db2.gz IQSOUDAPHJDWOJ-UHFFFAOYSA-N 1 0 376.240 1.834 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21)C1CC1 ZINC000415541197 531492804 /nfs/dbraw/zinc/49/28/04/531492804.db2.gz QNHRZBDEHGXVCK-LBPRGKRZSA-N 1 0 377.242 1.789 20 0 GDADRO Cc1nn(C)c(NC(=O)N(C)C[C@@H](O)C[NH3+])c1-c1ccc(Br)cc1 ZINC000415358127 531478255 /nfs/dbraw/zinc/47/82/55/531478255.db2.gz IBSGSFZPMYVMSJ-ZDUSSCGKSA-N 1 0 396.289 1.941 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000415665461 531510821 /nfs/dbraw/zinc/51/08/21/531510821.db2.gz DGWBFYXHLNUNEK-LBPRGKRZSA-N 1 0 398.305 1.754 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415662280 531510911 /nfs/dbraw/zinc/51/09/11/531510911.db2.gz RHCPDHUDCARTCN-XVKPBYJWSA-N 1 0 376.201 1.780 20 0 GDADRO CSC1(CNC(=O)N2CCN(CC(F)(F)F)C(=O)C2)CC[NH+](C)CC1 ZINC000581732607 531512526 /nfs/dbraw/zinc/51/25/26/531512526.db2.gz AXOTVEPOJSAQGU-UHFFFAOYSA-N 1 0 382.452 1.230 20 0 GDADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2c(Br)cnn2C)C[C@@H](C)O1 ZINC000295001023 531513739 /nfs/dbraw/zinc/51/37/39/531513739.db2.gz ZZMFQBISFMEDSG-UPJWGTAASA-N 1 0 385.306 1.896 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000658539874 531514036 /nfs/dbraw/zinc/51/40/36/531514036.db2.gz JTNUEEVBGZYBCR-UHFFFAOYSA-N 1 0 376.201 1.686 20 0 GDADRO C[C@H](O)C[NH+]1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000489936700 531514549 /nfs/dbraw/zinc/51/45/49/531514549.db2.gz MBXFQDPQVFPSIF-NSHDSACASA-N 1 0 398.248 1.737 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000557718129 531516276 /nfs/dbraw/zinc/51/62/76/531516276.db2.gz XLWVAYYPXMOPLE-OAHLLOKOSA-N 1 0 387.933 1.917 20 0 GDADRO CCS(=O)(=O)c1ccc(C[NH2+]CCN2C(=O)c3ccccc3C2=O)s1 ZINC000280606853 531517173 /nfs/dbraw/zinc/51/71/73/531517173.db2.gz OMOBKBAEPFGNFW-UHFFFAOYSA-N 1 0 378.475 1.928 20 0 GDADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415717287 531518441 /nfs/dbraw/zinc/51/84/41/531518441.db2.gz XZZGCXSSEYDFLZ-GFCCVEGCSA-N 1 0 399.264 1.033 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)C[NH+](C)C ZINC000490050044 531518654 /nfs/dbraw/zinc/51/86/54/531518654.db2.gz POSVKAPAGJUWKA-NSHDSACASA-N 1 0 382.935 1.361 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415556588 531494405 /nfs/dbraw/zinc/49/44/05/531494405.db2.gz INCBGTMAXVQCHJ-MNOVXSKESA-N 1 0 384.274 1.913 20 0 GDADRO COC[C@@]1(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CCC[NH2+]1 ZINC000415558919 531494444 /nfs/dbraw/zinc/49/44/44/531494444.db2.gz KOZDJUKSHZKFCV-HNNXBMFYSA-N 1 0 375.878 1.634 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1cccc(F)c1I ZINC000415553223 531494453 /nfs/dbraw/zinc/49/44/53/531494453.db2.gz OEJUKQKEDMTWOC-SSDOTTSWSA-N 1 0 379.173 1.222 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415554174 531494811 /nfs/dbraw/zinc/49/48/11/531494811.db2.gz BAWQASUWDCSBNS-BDAKNGLRSA-N 1 0 388.251 1.914 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)Oc1cccc(Br)c1 ZINC000581508006 531495927 /nfs/dbraw/zinc/49/59/27/531495927.db2.gz WWJJXGAYMMZMBF-LBPRGKRZSA-N 1 0 386.290 1.353 20 0 GDADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 ZINC000635557165 531497196 /nfs/dbraw/zinc/49/71/96/531497196.db2.gz NLNRQYTXAWMESU-LBPRGKRZSA-N 1 0 385.452 1.143 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415574722 531497533 /nfs/dbraw/zinc/49/75/33/531497533.db2.gz WAZRONXYVNTZNX-UHFFFAOYSA-N 1 0 383.290 1.843 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)C1 ZINC000610134893 531497752 /nfs/dbraw/zinc/49/77/52/531497752.db2.gz CZFNTUBQBLQCFG-BZUAXINKSA-N 1 0 375.535 1.311 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000294803529 531497894 /nfs/dbraw/zinc/49/78/94/531497894.db2.gz BNUWTYTXGARFSV-UHFFFAOYSA-N 1 0 396.289 1.728 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415717719 531518849 /nfs/dbraw/zinc/51/88/49/531518849.db2.gz YZXOMVWJFFZHAV-CYBMUJFWSA-N 1 0 395.301 1.202 20 0 GDADRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000635610126 531498447 /nfs/dbraw/zinc/49/84/47/531498447.db2.gz WBSZEGMKGAKXSQ-UHFFFAOYSA-N 1 0 396.289 1.695 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415581337 531498571 /nfs/dbraw/zinc/49/85/71/531498571.db2.gz NHYADGWERORGKC-DRZSPHRISA-N 1 0 396.285 1.982 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000415581003 531498604 /nfs/dbraw/zinc/49/86/04/531498604.db2.gz RULAEHSKLFOZCR-HTQZYQBOSA-N 1 0 376.201 1.862 20 0 GDADRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280449966 531498733 /nfs/dbraw/zinc/49/87/33/531498733.db2.gz CRKPAHQTLPUUKF-HOTUBEGUSA-N 1 0 397.360 1.860 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415578628 531498799 /nfs/dbraw/zinc/49/87/99/531498799.db2.gz PIWNRAYMKJCIBO-MNOVXSKESA-N 1 0 384.274 1.900 20 0 GDADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000415593344 531500108 /nfs/dbraw/zinc/50/01/08/531500108.db2.gz DSBLMBIYIMAXOY-SSDOTTSWSA-N 1 0 378.654 1.903 20 0 GDADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000581596738 531501796 /nfs/dbraw/zinc/50/17/96/531501796.db2.gz ONYOKNSPTSDXDH-KBPBESRZSA-N 1 0 388.917 1.985 20 0 GDADRO COCC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1scnc1C ZINC000489500196 531501988 /nfs/dbraw/zinc/50/19/88/531501988.db2.gz RMNVCKMWQHYQJN-UHFFFAOYSA-N 1 0 385.511 1.626 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000415622045 531504655 /nfs/dbraw/zinc/50/46/55/531504655.db2.gz XCTGNKLKYPHMES-NHYWBVRUSA-N 1 0 397.317 1.563 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000581625414 531505368 /nfs/dbraw/zinc/50/53/68/531505368.db2.gz GDWKAPOSHMGBNO-CQSZACIVSA-N 1 0 386.484 1.264 20 0 GDADRO CC(C)C[C@H](NC(=O)COc1ccsc1Cl)C(=O)NCC[NH+](C)C ZINC000556950469 531505864 /nfs/dbraw/zinc/50/58/64/531505864.db2.gz YTKZKOSLPIINGR-LBPRGKRZSA-N 1 0 375.922 1.989 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000658412677 531506402 /nfs/dbraw/zinc/50/64/02/531506402.db2.gz YGDUKPMIPYLXKZ-QMMMGPOBSA-N 1 0 376.276 1.220 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1Br ZINC000415633535 531507007 /nfs/dbraw/zinc/50/70/07/531507007.db2.gz YSEGDTCADGGTPR-BXKDBHETSA-N 1 0 398.257 1.288 20 0 GDADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000658411398 531507119 /nfs/dbraw/zinc/50/71/19/531507119.db2.gz OFSOLHNOLQMDQA-CQSZACIVSA-N 1 0 389.543 1.138 20 0 GDADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000294962964 531509643 /nfs/dbraw/zinc/50/96/43/531509643.db2.gz FANUVWHYXGFQHC-CYBMUJFWSA-N 1 0 375.922 1.594 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[NH2+]1 ZINC000415660901 531510229 /nfs/dbraw/zinc/51/02/29/531510229.db2.gz OJFRDILMZGBMHK-SFYZADRCSA-N 1 0 376.201 1.923 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415663308 531510384 /nfs/dbraw/zinc/51/03/84/531510384.db2.gz WCTKLMBOPYSFCO-LURJTMIESA-N 1 0 381.601 1.347 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Br ZINC000415760327 531525901 /nfs/dbraw/zinc/52/59/01/531525901.db2.gz FYGWRNBICRPWIJ-GXFFZTMASA-N 1 0 382.258 1.607 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@H](C)CCC[NH3+] ZINC000415769686 531526730 /nfs/dbraw/zinc/52/67/30/531526730.db2.gz AFWQPCFTSVIOHL-SNVBAGLBSA-N 1 0 389.237 1.782 20 0 GDADRO CSCCCNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000268513805 531527003 /nfs/dbraw/zinc/52/70/03/531527003.db2.gz DCERRPBINZHJHS-UHFFFAOYSA-N 1 0 387.571 1.708 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000582004089 531527349 /nfs/dbraw/zinc/52/73/49/531527349.db2.gz DTOXFNLPWGJEKD-HTQZYQBOSA-N 1 0 381.267 1.847 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(OC)ccc1I ZINC000415780689 531528725 /nfs/dbraw/zinc/52/87/25/531528725.db2.gz DIGVWCYSNXCZKY-MRVPVSSYSA-N 1 0 391.209 1.092 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C[NH+](CC)CC)cc1 ZINC000557844298 531529675 /nfs/dbraw/zinc/52/96/75/531529675.db2.gz APDIIBVDZNZHOX-CQSZACIVSA-N 1 0 391.559 1.384 20 0 GDADRO CN(C(=O)C(=O)Nc1ccc(F)cc1I)C1CC([NH3+])C1 ZINC000415783168 531530197 /nfs/dbraw/zinc/53/01/97/531530197.db2.gz CKWWDDBRIRWNEF-UHFFFAOYSA-N 1 0 391.184 1.317 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC000451010204 531530203 /nfs/dbraw/zinc/53/02/03/531530203.db2.gz SRYSWVCJYMJPEQ-HNNXBMFYSA-N 1 0 388.555 1.774 20 0 GDADRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000557849683 531531401 /nfs/dbraw/zinc/53/14/01/531531401.db2.gz OONJBVHEUFXHQV-UHFFFAOYSA-N 1 0 389.543 1.221 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415793221 531532082 /nfs/dbraw/zinc/53/20/82/531532082.db2.gz UVIYESBDAPQWFZ-LLVKDONJSA-N 1 0 380.246 1.427 20 0 GDADRO Cc1csc([C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C(F)(F)F)n1 ZINC000659015041 531537202 /nfs/dbraw/zinc/53/72/02/531537202.db2.gz FPWRJNHTNOGQGX-SNVBAGLBSA-N 1 0 376.364 1.509 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)C(=O)NCc1cc(Br)cs1 ZINC000551436859 531537669 /nfs/dbraw/zinc/53/76/69/531537669.db2.gz ZYTVMCWLPSFSKD-UHFFFAOYSA-N 1 0 376.320 1.975 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@H](C)C[NH3+])c(Cl)cc1Br ZINC000659082207 531538539 /nfs/dbraw/zinc/53/85/39/531538539.db2.gz UGQGLLKQWWDHJR-SSDOTTSWSA-N 1 0 378.654 1.761 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)CCO1 ZINC000659082507 531538857 /nfs/dbraw/zinc/53/88/57/531538857.db2.gz XQFKPRFNNKYHMJ-OIBJUYFYSA-N 1 0 392.200 1.240 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659077321 531539009 /nfs/dbraw/zinc/53/90/09/531539009.db2.gz HXRSIYRIQHSFJX-MRVPVSSYSA-N 1 0 376.201 1.734 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415830704 531539099 /nfs/dbraw/zinc/53/90/99/531539099.db2.gz IRBLAGRZMYPXIE-CYBMUJFWSA-N 1 0 384.274 1.499 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])c(Cl)cc1Br ZINC000659083534 531540278 /nfs/dbraw/zinc/54/02/78/531540278.db2.gz ZRLSVIHKISNWBI-ZETCQYMHSA-N 1 0 378.654 1.903 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000451066288 531540485 /nfs/dbraw/zinc/54/04/85/531540485.db2.gz WFPNATFNLBISNB-UHFFFAOYSA-N 1 0 377.869 1.015 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659083400 531540673 /nfs/dbraw/zinc/54/06/73/531540673.db2.gz XWUDAAIQJLBWOR-JGVFFNPUSA-N 1 0 376.201 1.862 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)cc(C)c1Br ZINC000415834194 531540636 /nfs/dbraw/zinc/54/06/36/531540636.db2.gz NOTHVOSJCILZMT-ZDUSSCGKSA-N 1 0 384.274 1.499 20 0 GDADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000582217251 531541431 /nfs/dbraw/zinc/54/14/31/531541431.db2.gz RRVOOSULOHHWNE-ZIAGYGMSSA-N 1 0 394.331 1.861 20 0 GDADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000582217248 531541721 /nfs/dbraw/zinc/54/17/21/531541721.db2.gz RRVOOSULOHHWNE-KBPBESRZSA-N 1 0 394.331 1.861 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415843272 531541768 /nfs/dbraw/zinc/54/17/68/531541768.db2.gz ICXJLUBHFWIBNB-WDEREUQCSA-N 1 0 384.274 1.840 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000659106941 531542897 /nfs/dbraw/zinc/54/28/97/531542897.db2.gz WQOSZNLLOCSNAO-GFCCVEGCSA-N 1 0 375.878 1.172 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000415853864 531543279 /nfs/dbraw/zinc/54/32/79/531543279.db2.gz MGRWCYHQWSZUQY-SNVBAGLBSA-N 1 0 378.782 1.317 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000415853863 531543423 /nfs/dbraw/zinc/54/34/23/531543423.db2.gz MGRWCYHQWSZUQY-JTQLQIEISA-N 1 0 378.782 1.317 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000415854584 531543574 /nfs/dbraw/zinc/54/35/74/531543574.db2.gz NHZXZTLLSPDKIC-JTQLQIEISA-N 1 0 378.782 1.317 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415851110 531543641 /nfs/dbraw/zinc/54/36/41/531543641.db2.gz OURKGJPKKZGNNL-WDEREUQCSA-N 1 0 384.274 1.840 20 0 GDADRO COC[C@@]1(C(=O)OC)CCN([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000295230483 531544254 /nfs/dbraw/zinc/54/42/54/531544254.db2.gz WVBCODAVBYZXDQ-XJKSGUPXSA-N 1 0 385.258 1.487 20 0 GDADRO O=C(NC/C=C/c1ccc(Br)cc1)NCC(=O)N1CC[NH2+]CC1 ZINC000582231376 531544402 /nfs/dbraw/zinc/54/44/02/531544402.db2.gz PESUFOKANMSPCW-OWOJBTEDSA-N 1 0 381.274 1.193 20 0 GDADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415857783 531544652 /nfs/dbraw/zinc/54/46/52/531544652.db2.gz RYLIUGZMOCHGIH-CYBMUJFWSA-N 1 0 397.317 1.531 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1ccc(Cl)cc1Br ZINC000415862795 531545265 /nfs/dbraw/zinc/54/52/65/531545265.db2.gz KUPOIIDGIIPDCW-VIFPVBQESA-N 1 0 376.638 1.146 20 0 GDADRO COc1ccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1Br ZINC000582252820 531545887 /nfs/dbraw/zinc/54/58/87/531545887.db2.gz SQRJVXZHEFJTMD-ZYHUDNBSSA-N 1 0 383.246 1.233 20 0 GDADRO COc1cc(Br)c(NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1OC ZINC000582713642 531553432 /nfs/dbraw/zinc/55/34/32/531553432.db2.gz CHPCWENUIMFBRX-JTQLQIEISA-N 1 0 388.262 1.966 20 0 GDADRO CCC[N@H+](C)[C@@H](CNC(=O)NC[C@@H](C)S(N)(=O)=O)c1ccc(Cl)cc1 ZINC000558107662 531547471 /nfs/dbraw/zinc/54/74/71/531547471.db2.gz PBBURQRGVRUADI-DOMZBBRYSA-N 1 0 390.937 1.699 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000415878704 531548726 /nfs/dbraw/zinc/54/87/26/531548726.db2.gz NWLIKLWUUGXHDF-IJLUTSLNSA-N 1 0 396.285 1.901 20 0 GDADRO COc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000415878705 531548742 /nfs/dbraw/zinc/54/87/42/531548742.db2.gz NWLIKLWUUGXHDF-QJPTWQEYSA-N 1 0 396.285 1.901 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000659480688 531548988 /nfs/dbraw/zinc/54/89/88/531548988.db2.gz BOOGPJKCIKNSCS-RISCZKNCSA-N 1 0 383.290 1.770 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)cc1Cl ZINC000415900653 531549718 /nfs/dbraw/zinc/54/97/18/531549718.db2.gz WKRYXZUNJXCELF-UHFFFAOYSA-N 1 0 388.251 1.531 20 0 GDADRO CN1CCN(C(=O)CC[N@H+](C)C[C@H](O)c2ccccc2Br)CC1 ZINC000295256062 531550419 /nfs/dbraw/zinc/55/04/19/531550419.db2.gz GGSBSHKUVBTUEQ-INIZCTEOSA-N 1 0 384.318 1.578 20 0 GDADRO C[C@H](C(=O)NC(=O)NC1CC1)N(C)C[C@@H](O)c1ccccc1Br ZINC000295257814 531551398 /nfs/dbraw/zinc/55/13/98/531551398.db2.gz GOZQNWYDMSEZRY-QMTHXVAHSA-N 1 0 384.274 1.791 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000659688519 531552070 /nfs/dbraw/zinc/55/20/70/531552070.db2.gz ZSOOTEVZDVMFJJ-MRVPVSSYSA-N 1 0 396.207 1.808 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000415797297 531533177 /nfs/dbraw/zinc/53/31/77/531533177.db2.gz ZYGIPXKQNGQKSY-SNVBAGLBSA-N 1 0 394.216 1.885 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659696806 531555662 /nfs/dbraw/zinc/55/56/62/531555662.db2.gz QYEMZTWYTKBKND-UHFFFAOYSA-N 1 0 384.274 1.462 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CC2CC(F)(F)C2)CC1 ZINC000451143765 531556118 /nfs/dbraw/zinc/55/61/18/531556118.db2.gz GEMVXHYYOBKYSP-GASCZTMLSA-N 1 0 379.517 1.852 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000659728981 531556856 /nfs/dbraw/zinc/55/68/56/531556856.db2.gz PTNXQLKRXPIJAK-RYUDHWBXSA-N 1 0 387.311 1.884 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000659712101 531556884 /nfs/dbraw/zinc/55/68/84/531556884.db2.gz HPKVERZQXUZUIX-GFCCVEGCSA-N 1 0 385.295 1.510 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000659746677 531558762 /nfs/dbraw/zinc/55/87/62/531558762.db2.gz PKZXKBIHYTYYCQ-LLVKDONJSA-N 1 0 376.320 1.959 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000613523011 531567816 /nfs/dbraw/zinc/56/78/16/531567816.db2.gz QMEABWDQRXRZOV-QGZVFWFLSA-N 1 0 382.302 1.846 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000659749925 531559319 /nfs/dbraw/zinc/55/93/19/531559319.db2.gz CWRZSPSQJHCMIE-QMTHXVAHSA-N 1 0 386.265 1.976 20 0 GDADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000268767198 531567342 /nfs/dbraw/zinc/56/73/42/531567342.db2.gz ODBPQKSUJBNOAT-ZDUSSCGKSA-N 1 0 389.543 1.059 20 0 GDADRO COc1cc(Br)c(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1OC ZINC000295279257 531554436 /nfs/dbraw/zinc/55/44/36/531554436.db2.gz ITGIPAOJCFCHAI-OAHLLOKOSA-N 1 0 375.263 1.509 20 0 GDADRO CCS(=O)(=O)NCCC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000268788393 531569126 /nfs/dbraw/zinc/56/91/26/531569126.db2.gz FTOLDMVWJVLRBW-CQSZACIVSA-N 1 0 389.949 1.996 20 0 GDADRO C[NH+]1CCC(O)(CNC(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000295393457 531570786 /nfs/dbraw/zinc/57/07/86/531570786.db2.gz TZTZKQJLSLFECP-UHFFFAOYSA-N 1 0 394.273 1.216 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)CCN2C1=O ZINC000583333986 531572443 /nfs/dbraw/zinc/57/24/43/531572443.db2.gz QAHDDCKSZNSTFE-IACUBPJLSA-N 1 0 380.901 1.830 20 0 GDADRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268807615 531574070 /nfs/dbraw/zinc/57/40/70/531574070.db2.gz CVTWLHHPLYLEAW-BXUZGUMPSA-N 1 0 382.404 1.281 20 0 GDADRO C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000493472072 531575640 /nfs/dbraw/zinc/57/56/40/531575640.db2.gz IKARFGCAPMPKLK-OKILXGFUSA-N 1 0 384.318 1.969 20 0 GDADRO [NH3+]CC[C@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)C(F)(F)F ZINC000583439935 531576957 /nfs/dbraw/zinc/57/69/57/531576957.db2.gz AYMGRRJXNXHKIR-JTQLQIEISA-N 1 0 396.163 1.790 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3c(F)cc(F)cc3F)CC2)C1 ZINC000364578378 531578758 /nfs/dbraw/zinc/57/87/58/531578758.db2.gz KMXVXOOWWYXESV-ZDUSSCGKSA-N 1 0 377.432 1.504 20 0 GDADRO CC(C)OCCS(=O)(=O)N1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000659981023 531581614 /nfs/dbraw/zinc/58/16/14/531581614.db2.gz FDQGJDXRHOJNSM-ROUUACIJSA-N 1 0 375.579 1.337 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1OC ZINC000583500285 531581088 /nfs/dbraw/zinc/58/10/88/531581088.db2.gz RZFSTKDCBFMMTB-JOYOIKCWSA-N 1 0 376.862 1.412 20 0 GDADRO O=C(NCCOc1ccc(I)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000583498430 531581180 /nfs/dbraw/zinc/58/11/80/531581180.db2.gz SBSRYIJUECMBAS-DZGCQCFKSA-N 1 0 386.233 1.786 20 0 GDADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000660009178 531584374 /nfs/dbraw/zinc/58/43/74/531584374.db2.gz NNISNHJQDNOBOV-LBPRGKRZSA-N 1 0 393.506 1.302 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 ZINC000416374233 531585202 /nfs/dbraw/zinc/58/52/02/531585202.db2.gz PNLVBZSTPONSEU-HUUCEWRRSA-N 1 0 382.592 1.487 20 0 GDADRO C[C@H](NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(C)(C)C[NH+](C)C ZINC000451300351 531585379 /nfs/dbraw/zinc/58/53/79/531585379.db2.gz UWJVBQLGSMXVTQ-ZDUSSCGKSA-N 1 0 376.544 1.486 20 0 GDADRO C[C@H]1CN(C(=O)c2nn(C)cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000494131944 531587929 /nfs/dbraw/zinc/58/79/29/531587929.db2.gz YVQZOQKZTDFJEN-JSGCOSHPSA-N 1 0 384.322 1.281 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+]C[C@H](O)CSC)cc1Br ZINC000583630995 531588018 /nfs/dbraw/zinc/58/80/18/531588018.db2.gz CXUAQQQJHGNFQM-STQMWFEESA-N 1 0 378.332 1.922 20 0 GDADRO CCCCS(=O)(=O)NCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000558970218 531589182 /nfs/dbraw/zinc/58/91/82/531589182.db2.gz DDYSQQZVQXRLJS-OAHLLOKOSA-N 1 0 375.922 1.778 20 0 GDADRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000494263757 531592116 /nfs/dbraw/zinc/59/21/16/531592116.db2.gz AMQOLWZEUGZIBN-JJRVBVJISA-N 1 0 386.539 1.421 20 0 GDADRO CN(C1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1)S(C)(=O)=O ZINC000660038835 531592291 /nfs/dbraw/zinc/59/22/91/531592291.db2.gz NCLWPNLGVATXEV-INIZCTEOSA-N 1 0 383.539 1.845 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494287456 531594404 /nfs/dbraw/zinc/59/44/04/531594404.db2.gz JNZMTCHEHCTKSS-UKRRQHHQSA-N 1 0 377.869 1.280 20 0 GDADRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268981531 531595671 /nfs/dbraw/zinc/59/56/71/531595671.db2.gz DHNZBYJTVNTDFC-JKIFEVAISA-N 1 0 388.555 1.471 20 0 GDADRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281223925 531595241 /nfs/dbraw/zinc/59/52/41/531595241.db2.gz VDTVAONVMXZUDX-AQUOVQTQSA-N 1 0 377.304 1.907 20 0 GDADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc(F)c(F)cc1Br ZINC000583821919 531597900 /nfs/dbraw/zinc/59/79/00/531597900.db2.gz XBRYGJINTUJZRJ-OAHLLOKOSA-N 1 0 375.213 1.914 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCOc2ccc(Br)cc21 ZINC000614514074 531598069 /nfs/dbraw/zinc/59/80/69/531598069.db2.gz IMBVIPFTUHJWCK-GJZGRUSLSA-N 1 0 394.313 1.821 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451350602 531596365 /nfs/dbraw/zinc/59/63/65/531596365.db2.gz 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CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416421991 531611505 /nfs/dbraw/zinc/61/15/05/531611505.db2.gz HPZQXOJEXAQYQD-LBPRGKRZSA-N 1 0 392.905 1.762 20 0 GDADRO O=C(CN1CC[C@@H](c2cccc(Br)c2)C1)NCC(=O)N1CCCC1 ZINC000584094977 531611980 /nfs/dbraw/zinc/61/19/80/531611980.db2.gz PPLSMDUAQSRLHG-OAHLLOKOSA-N 1 0 394.313 1.977 20 0 GDADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000615086346 531610765 /nfs/dbraw/zinc/61/07/65/531610765.db2.gz LOUZGFZZVXBKJR-LLVKDONJSA-N 1 0 384.274 1.875 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)ccc1Cl ZINC000269155032 531617220 /nfs/dbraw/zinc/61/72/20/531617220.db2.gz UQJWWDDZGQYVAT-NSHDSACASA-N 1 0 389.905 1.721 20 0 GDADRO CN(Cc1cc(Br)cn1C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000560026466 531618072 /nfs/dbraw/zinc/61/80/72/531618072.db2.gz VIBCUWGXBCWJAY-HUUCEWRRSA-N 1 0 397.317 1.489 20 0 GDADRO COc1ccc(C[C@H](CO)C[NH2+]C[C@H](O)Cn2cccn2)cc1Br ZINC000584409794 531619711 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KHOAJSSNKOXNMV-AWEZNQCLSA-N 1 0 383.290 1.620 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)[C@@H]1C ZINC000417436637 531771756 /nfs/dbraw/zinc/77/17/56/531771756.db2.gz PBXVVTCUSLYIGF-CHWSQXEVSA-N 1 0 397.317 1.961 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417443459 531772932 /nfs/dbraw/zinc/77/29/32/531772932.db2.gz XMSJAFIUCDIGGT-ZIAGYGMSSA-N 1 0 383.290 1.748 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Br)cc2[nH]cnc21 ZINC000452360730 531772997 /nfs/dbraw/zinc/77/29/97/531772997.db2.gz JACBFFPLMJPKIB-GFCCVEGCSA-N 1 0 381.274 1.902 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000641041257 531773025 /nfs/dbraw/zinc/77/30/25/531773025.db2.gz ASXMTBIZSIQFSN-CABCVRRESA-N 1 0 395.301 1.774 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)NCCc2ccc(I)s2)C1 ZINC000417440811 531773366 /nfs/dbraw/zinc/77/33/66/531773366.db2.gz PAOQFGPEFOOHNR-VIFPVBQESA-N 1 0 379.267 1.899 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1[nH]nc2ccc(Br)cc21 ZINC000452353945 531773708 /nfs/dbraw/zinc/77/37/08/531773708.db2.gz VDBJGXDQOAYYIT-LBPRGKRZSA-N 1 0 381.274 1.902 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccccc1I ZINC000452374531 531775432 /nfs/dbraw/zinc/77/54/32/531775432.db2.gz KNSJUAYTXXWLCI-GFCCVEGCSA-N 1 0 388.249 1.868 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CCO1 ZINC000667374724 531779108 /nfs/dbraw/zinc/77/91/08/531779108.db2.gz AJJDRAFQJWWNQP-ZWNOBZJWSA-N 1 0 395.261 1.610 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NCC(C)(C)[NH3+])s1 ZINC000417518178 531779202 /nfs/dbraw/zinc/77/92/02/531779202.db2.gz SAHCKEAQHYYAPX-UHFFFAOYSA-N 1 0 376.548 1.358 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000667398156 531780045 /nfs/dbraw/zinc/78/00/45/531780045.db2.gz NHUVTULILYUGJC-QMTHXVAHSA-N 1 0 384.274 1.525 20 0 GDADRO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000512852564 531800845 /nfs/dbraw/zinc/80/08/45/531800845.db2.gz WIVCTPPBEFKYGU-CMPLNLGQSA-N 1 0 379.324 1.380 20 0 GDADRO COc1ncc(Br)c(N2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000641308392 531801164 /nfs/dbraw/zinc/80/11/64/531801164.db2.gz YHJPZBSDKYGKDC-UHFFFAOYSA-N 1 0 384.322 1.712 20 0 GDADRO CN1CCN(c2ncc(Br)cc2NC(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000667663974 531783936 /nfs/dbraw/zinc/78/39/36/531783936.db2.gz OQGQBNLTELOENW-GFCCVEGCSA-N 1 0 397.321 1.408 20 0 GDADRO C[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)Oc1ccccc1Br ZINC000417814396 531787239 /nfs/dbraw/zinc/78/72/39/531787239.db2.gz AVKLPRPKCYTGTG-ZDUSSCGKSA-N 1 0 385.306 1.421 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2cncc(Br)c2)CC1 ZINC000282689877 531787486 /nfs/dbraw/zinc/78/74/86/531787486.db2.gz JRLUFKSBUZDIFB-OAHLLOKOSA-N 1 0 382.302 1.839 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000269861115 531788275 /nfs/dbraw/zinc/78/82/75/531788275.db2.gz SBBLEQBJSGGNHN-ZDUSSCGKSA-N 1 0 392.905 1.762 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000417910748 531788674 /nfs/dbraw/zinc/78/86/74/531788674.db2.gz KEBLPSFLTUYKQO-ZDUSSCGKSA-N 1 0 376.548 1.460 20 0 GDADRO CC(C)(CNC(=O)NCCN1CC[NH2+]CC1)c1ccccc1Br ZINC000417909489 531789080 /nfs/dbraw/zinc/78/90/80/531789080.db2.gz ICTVBYKSXMZBBY-UHFFFAOYSA-N 1 0 383.334 1.931 20 0 GDADRO O=C(NCc1nc(C2CC2)cs1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417892521 531789639 /nfs/dbraw/zinc/78/96/39/531789639.db2.gz DDDPPJFVAFEHAP-GFCCVEGCSA-N 1 0 377.436 1.656 20 0 GDADRO [NH3+]C[C@H](NC(=O)NCc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000417920919 531790773 /nfs/dbraw/zinc/79/07/73/531790773.db2.gz ZDTWHAMVEAVSTJ-HNNXBMFYSA-N 1 0 397.317 1.822 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000417916508 531791353 /nfs/dbraw/zinc/79/13/53/531791353.db2.gz VKJVBFXIOMSYIY-NEPJUHHUSA-N 1 0 385.306 1.821 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000366941471 531793081 /nfs/dbraw/zinc/79/30/81/531793081.db2.gz RNZSIZHSRFONPI-QMTHXVAHSA-N 1 0 375.288 1.830 20 0 GDADRO CCOC(=O)c1cc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)ccc1Cl ZINC000592500580 531793449 /nfs/dbraw/zinc/79/34/49/531793449.db2.gz IDLJXEYWGFJARY-UHFFFAOYSA-N 1 0 388.873 1.622 20 0 GDADRO O=C(NCC[N@H+]1CC=CCC1)c1ccc(Br)cc1-n1cnnn1 ZINC000623025950 531794397 /nfs/dbraw/zinc/79/43/97/531794397.db2.gz YZIZZUTXMVDZON-UHFFFAOYSA-N 1 0 377.246 1.417 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@@]2(OCCO)CCOC2)cc1O ZINC000668489615 531802110 /nfs/dbraw/zinc/80/21/10/531802110.db2.gz GUCOAYFTGOVSEF-HNNXBMFYSA-N 1 0 376.247 1.421 20 0 GDADRO O=S(=O)(N[C@@H]1CCC[NH2+]CC1)c1cc(Br)cc2c1OCC2 ZINC000366944359 531795280 /nfs/dbraw/zinc/79/52/80/531795280.db2.gz DDJCCDOMERGFTK-GFCCVEGCSA-N 1 0 375.288 1.804 20 0 GDADRO O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562978862 531795263 /nfs/dbraw/zinc/79/52/63/531795263.db2.gz DLCLZYPIMOMCNN-QGZVFWFLSA-N 1 0 383.539 1.748 20 0 GDADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000562994315 531795385 /nfs/dbraw/zinc/79/53/85/531795385.db2.gz XIBDOTLLVGBRFQ-MFKMUULPSA-N 1 0 398.294 1.741 20 0 GDADRO CC[N@H+](CCNS(=O)(=O)c1cnn2cc(Br)cnc12)C1CC1 ZINC000641312022 531802330 /nfs/dbraw/zinc/80/23/30/531802330.db2.gz AQQBGZLQYFBMBA-UHFFFAOYSA-N 1 0 388.291 1.254 20 0 GDADRO COC[C@@]1(CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CCC[NH2+]1 ZINC000418077387 531800112 /nfs/dbraw/zinc/80/01/12/531800112.db2.gz SQPPSTDWJTUSNH-INIZCTEOSA-N 1 0 389.905 1.311 20 0 GDADRO C[C@@H]([NH3+])C1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000516467651 531818325 /nfs/dbraw/zinc/81/83/25/531818325.db2.gz HHZIFUPLHKURDZ-SNVBAGLBSA-N 1 0 394.324 1.858 20 0 GDADRO O=C(NCCC[NH+]1CCCC1)NCCNC(=O)c1cccc(Br)c1 ZINC000514030810 531802601 /nfs/dbraw/zinc/80/26/01/531802601.db2.gz LCMUELABSORSFO-UHFFFAOYSA-N 1 0 397.317 1.964 20 0 GDADRO COC(=O)CNC(=O)[C@H]1CCCN1Cc1cc(OC)ccc1Br ZINC000418126687 531803175 /nfs/dbraw/zinc/80/31/75/531803175.db2.gz PLRKTQBDPPIYSF-CQSZACIVSA-N 1 0 385.258 1.711 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1nn(C)cc1I ZINC000418250132 531818789 /nfs/dbraw/zinc/81/87/89/531818789.db2.gz GXRBXDJZKHXCSC-NSHDSACASA-N 1 0 393.273 1.540 20 0 GDADRO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)NCC[C@H]1CC[NH2+]C1 ZINC000418149979 531805392 /nfs/dbraw/zinc/80/53/92/531805392.db2.gz QBBRYKQYBDZVSU-CYBMUJFWSA-N 1 0 388.921 1.307 20 0 GDADRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cc2c(cc1Br)OCCO2 ZINC000563080096 531805606 /nfs/dbraw/zinc/80/56/06/531805606.db2.gz IPLSEPYTWBGGFD-MRXNPFEDSA-N 1 0 396.241 1.394 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000453000216 531805853 /nfs/dbraw/zinc/80/58/53/531805853.db2.gz XMFSDBGLYZCNOA-YGRLFVJLSA-N 1 0 392.308 1.434 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)NCCOc1ccc(I)cc1 ZINC000418154936 531806161 /nfs/dbraw/zinc/80/61/61/531806161.db2.gz KUXMUDOBTVJRJK-SNVBAGLBSA-N 1 0 377.226 1.564 20 0 GDADRO CN1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@@H](C[NH3+])C1 ZINC000563101699 531807254 /nfs/dbraw/zinc/80/72/54/531807254.db2.gz MCDIYHHFIUAQPU-LBPRGKRZSA-N 1 0 379.511 1.101 20 0 GDADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000563121440 531808424 /nfs/dbraw/zinc/80/84/24/531808424.db2.gz NSWXJIXMZGXJJB-LLVKDONJSA-N 1 0 378.292 1.344 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000418162604 531808463 /nfs/dbraw/zinc/80/84/63/531808463.db2.gz GGONKINKMHEZEF-ZDUSSCGKSA-N 1 0 381.420 1.891 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccsc2Br)C1 ZINC000418165258 531809843 /nfs/dbraw/zinc/80/98/43/531809843.db2.gz YDAVELJRXWRIMB-LLVKDONJSA-N 1 0 389.319 1.507 20 0 GDADRO O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@]12C[C@H]1CC[NH2+]2 ZINC000515828733 531813022 /nfs/dbraw/zinc/81/30/22/531813022.db2.gz GCTQHNZZHLAYHR-DYVFJYSZSA-N 1 0 383.539 1.333 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000563145503 531813199 /nfs/dbraw/zinc/81/31/99/531813199.db2.gz XRLKSVUGPRMIBK-RKDXNWHRSA-N 1 0 376.682 1.961 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000418181362 531813760 /nfs/dbraw/zinc/81/37/60/531813760.db2.gz IPAADYGMZUAWJB-OLZOCXBDSA-N 1 0 388.921 1.305 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CCO1 ZINC000669458045 531813873 /nfs/dbraw/zinc/81/38/73/531813873.db2.gz LLBWVRWMTVXQPN-NOLJZWGESA-N 1 0 397.317 1.785 20 0 GDADRO [NH3+]CCOCCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000563154266 531813929 /nfs/dbraw/zinc/81/39/29/531813929.db2.gz JOFGGOATVGORDU-UHFFFAOYSA-N 1 0 382.313 1.275 20 0 GDADRO CC[C@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(=O)NC ZINC000453407367 531814337 /nfs/dbraw/zinc/81/43/37/531814337.db2.gz PPLBPYRXCZEXNA-KCJUWKMLSA-N 1 0 378.292 1.272 20 0 GDADRO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453420029 531815183 /nfs/dbraw/zinc/81/51/83/531815183.db2.gz LGWQEUOLWXCYKW-XLKFXECMSA-N 1 0 380.297 1.960 20 0 GDADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669592625 531815627 /nfs/dbraw/zinc/81/56/27/531815627.db2.gz VNUWYWGEIWJOQQ-BBRMVZONSA-N 1 0 385.917 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O=C(NCC[NH2+]C1CC1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000642919860 531865234 /nfs/dbraw/zinc/86/52/34/531865234.db2.gz KKSKQBHBNKWPOF-UHFFFAOYSA-N 1 0 384.249 1.341 20 0 GDADRO C[C@H](CCC[NH3+])NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000564961350 531870649 /nfs/dbraw/zinc/87/06/49/531870649.db2.gz ZBZIZWSRDPJQPW-SECBINFHSA-N 1 0 379.276 1.626 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418946262 531870739 /nfs/dbraw/zinc/87/07/39/531870739.db2.gz LAOFKBRLDNLRBG-GFCCVEGCSA-N 1 0 384.274 1.012 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1C(=O)OC ZINC000595243177 531871446 /nfs/dbraw/zinc/87/14/46/531871446.db2.gz DRSQSKHABZBGHO-SSDOTTSWSA-N 1 0 390.209 1.037 20 0 GDADRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000564961352 531871520 /nfs/dbraw/zinc/87/15/20/531871520.db2.gz ZBZIZWSRDPJQPW-VIFPVBQESA-N 1 0 379.276 1.626 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000595243733 531871696 /nfs/dbraw/zinc/87/16/96/531871696.db2.gz HDBBPRBQDPLTPP-SSDOTTSWSA-N 1 0 395.628 1.607 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCOc2cccc(Br)c2)CC[NH2+]1 ZINC000418957982 531872042 /nfs/dbraw/zinc/87/20/42/531872042.db2.gz XRIKFGGUVCKNAB-DGCLKSJQSA-N 1 0 384.274 1.201 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccc(I)cc1 ZINC000595247811 531872075 /nfs/dbraw/zinc/87/20/75/531872075.db2.gz FMIIBNDFZBDIRX-UHFFFAOYSA-N 1 0 385.205 1.179 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H](O)C1CCC1 ZINC000564976980 531872177 /nfs/dbraw/zinc/87/21/77/531872177.db2.gz XQKUPVJGHUEFRM-HNNXBMFYSA-N 1 0 389.539 1.395 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1I ZINC000564970268 531872285 /nfs/dbraw/zinc/87/22/85/531872285.db2.gz FOXQLLHCAOPNEG-YUMQZZPRSA-N 1 0 393.200 1.611 20 0 GDADRO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000367888589 531873645 /nfs/dbraw/zinc/87/36/45/531873645.db2.gz WGGJKVMRWHSYQM-LBPRGKRZSA-N 1 0 378.325 1.803 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418969984 531873816 /nfs/dbraw/zinc/87/38/16/531873816.db2.gz JVGUCXBYZUXPCW-GXSJLCMTSA-N 1 0 394.273 1.198 20 0 GDADRO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000367901494 531874359 /nfs/dbraw/zinc/87/43/59/531874359.db2.gz WNKATOSAMBPGQU-INIZCTEOSA-N 1 0 376.567 1.564 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000418981784 531875497 /nfs/dbraw/zinc/87/54/97/531875497.db2.gz AIQKSZFUCLMSGH-OAHLLOKOSA-N 1 0 382.302 1.708 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000418986969 531876201 /nfs/dbraw/zinc/87/62/01/531876201.db2.gz GTBDIDIWFMUXHM-OCCSQVGLSA-N 1 0 382.302 1.612 20 0 GDADRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000644052887 531876878 /nfs/dbraw/zinc/87/68/78/531876878.db2.gz OIFQURINYUDGRU-CQSZACIVSA-N 1 0 380.286 1.732 20 0 GDADRO CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000625042613 531877144 /nfs/dbraw/zinc/87/71/44/531877144.db2.gz CKSBYYMNZCXOQX-DLBZAZTESA-N 1 0 390.546 1.740 20 0 GDADRO [NH3+]C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C1CCCC1 ZINC000566062698 531877156 /nfs/dbraw/zinc/87/71/56/531877156.db2.gz DWVSEVOBGWYMNF-OAHLLOKOSA-N 1 0 385.555 1.709 20 0 GDADRO Cc1cc(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])ccc1Br ZINC000418993856 531877770 /nfs/dbraw/zinc/87/77/70/531877770.db2.gz PUAINRRBNGZAAO-NHYWBVRUSA-N 1 0 382.302 1.960 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000419002146 531878323 /nfs/dbraw/zinc/87/83/23/531878323.db2.gz ZBEZRACPFRIXLJ-CABCVRRESA-N 1 0 398.301 1.073 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1Br ZINC000419011857 531880231 /nfs/dbraw/zinc/88/02/31/531880231.db2.gz UDDAIHSEITWKPC-NOZJJQNGSA-N 1 0 384.274 1.488 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000419016103 531880386 /nfs/dbraw/zinc/88/03/86/531880386.db2.gz CNYDFMJMCHGCKU-GWCFXTLKSA-N 1 0 382.258 1.209 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000419013592 531880679 /nfs/dbraw/zinc/88/06/79/531880679.db2.gz ZYDOVMKZYQPXDD-LOWVWBTDSA-N 1 0 398.301 1.879 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000270495719 531880789 /nfs/dbraw/zinc/88/07/89/531880789.db2.gz OZTXDACFHJDXST-LSDHHAIUSA-N 1 0 382.917 1.987 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)CCCC2CCOCC2)C1 ZINC000645575515 531881402 /nfs/dbraw/zinc/88/14/02/531881402.db2.gz UHHNDMYIEPYRDN-SFHVURJKSA-N 1 0 376.563 1.956 20 0 GDADRO Cc1c(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)coc1C(=O)N(C)C ZINC000645583592 531881423 /nfs/dbraw/zinc/88/14/23/531881423.db2.gz UAMFZYPPZOCNSC-OAHLLOKOSA-N 1 0 375.516 1.005 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419019566 531881709 /nfs/dbraw/zinc/88/17/09/531881709.db2.gz JLCOFOJEMPOYFW-ZWNOBZJWSA-N 1 0 384.274 1.503 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419017903 531881752 /nfs/dbraw/zinc/88/17/52/531881752.db2.gz GRFQBUHFJLAPCD-IUODEOHRSA-N 1 0 382.302 1.755 20 0 GDADRO COc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)nc1I ZINC000270500954 531882131 /nfs/dbraw/zinc/88/21/31/531882131.db2.gz MPSYQNJQYNXKIA-SNVBAGLBSA-N 1 0 389.237 1.861 20 0 GDADRO O=C(Cn1nnnc1-c1ccsc1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000566249494 531882815 /nfs/dbraw/zinc/88/28/15/531882815.db2.gz UFLKAHIHYUCGML-UHFFFAOYSA-N 1 0 375.483 1.964 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000368006926 531883751 /nfs/dbraw/zinc/88/37/51/531883751.db2.gz OYDQLBHFLUJDDP-KGLIPLIRSA-N 1 0 385.258 1.630 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000283668080 531884241 /nfs/dbraw/zinc/88/42/41/531884241.db2.gz ZVTKPQXFHUMGSX-VIFPVBQESA-N 1 0 378.420 1.940 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000283505209 531869470 /nfs/dbraw/zinc/86/94/70/531869470.db2.gz JAPVNWPRGKYIEZ-UHFFFAOYSA-N 1 0 386.290 1.102 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419055621 531893342 /nfs/dbraw/zinc/89/33/42/531893342.db2.gz OPSKHXHGPWIVRF-LKFCYVNXSA-N 1 0 386.265 1.489 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)s2)cs1 ZINC000419055780 531893832 /nfs/dbraw/zinc/89/38/32/531893832.db2.gz BXJQXUIXSVBONJ-GFCCVEGCSA-N 1 0 378.523 1.707 20 0 GDADRO O=C1NC(=O)C2(CC[NH+](Cc3cc4c(cc3Br)OCO4)CC2)N1 ZINC000270567521 531894904 /nfs/dbraw/zinc/89/49/04/531894904.db2.gz ZNRVTBKIKQGWHL-UHFFFAOYSA-N 1 0 382.214 1.352 20 0 GDADRO CC[NH+](CC)CCNC(=O)C(=O)NCCCCn1cc(Br)cn1 ZINC000283782816 531895676 /nfs/dbraw/zinc/89/56/76/531895676.db2.gz SZKOJIMNUPKGQO-UHFFFAOYSA-N 1 0 388.310 1.000 20 0 GDADRO [NH3+]C1CCC(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000647727120 531896914 /nfs/dbraw/zinc/89/69/14/531896914.db2.gz KVLARQKPYJWQGP-UHFFFAOYSA-N 1 0 390.303 1.114 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419079476 531897650 /nfs/dbraw/zinc/89/76/50/531897650.db2.gz MTYPPOXXOAVERW-LBPRGKRZSA-N 1 0 382.302 1.569 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419074985 531897929 /nfs/dbraw/zinc/89/79/29/531897929.db2.gz FNEOJJOCYRHFFS-DOMZBBRYSA-N 1 0 394.313 1.711 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419076437 531898262 /nfs/dbraw/zinc/89/82/62/531898262.db2.gz WDHMFCJUFUSRDU-LBPRGKRZSA-N 1 0 376.682 1.818 20 0 GDADRO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595962034 531898941 /nfs/dbraw/zinc/89/89/41/531898941.db2.gz OGJWIIWLLPCJJU-JKSUJKDBSA-N 1 0 391.603 1.286 20 0 GDADRO COC(=O)CC1([NH2+]Cc2cccc(OC)c2Cl)CCS(=O)(=O)CC1 ZINC000595460913 531885526 /nfs/dbraw/zinc/88/55/26/531885526.db2.gz SMOCDXOIVVMCQG-UHFFFAOYSA-N 1 0 375.874 1.949 20 0 GDADRO O=C1[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCN1C1CCOCC1 ZINC000673885281 531885943 /nfs/dbraw/zinc/88/59/43/531885943.db2.gz BRDTZHCCPSYOPL-HNNXBMFYSA-N 1 0 393.285 1.966 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000419038726 531886057 /nfs/dbraw/zinc/88/60/57/531886057.db2.gz KFQFGBWJJABQQT-AWEZNQCLSA-N 1 0 396.285 1.599 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)C[C@@H](C)[NH2+]1 ZINC000419040482 531886903 /nfs/dbraw/zinc/88/69/03/531886903.db2.gz MMSAGPLKSQIFJX-GYSYKLTISA-N 1 0 396.285 1.598 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000646010951 531888207 /nfs/dbraw/zinc/88/82/07/531888207.db2.gz AVGCWJIZIDJHCN-HUUCEWRRSA-N 1 0 375.441 1.232 20 0 GDADRO COCCCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000368061171 531888357 /nfs/dbraw/zinc/88/83/57/531888357.db2.gz HXBWTDAKQQDNIL-WMLDXEAASA-N 1 0 378.510 1.251 20 0 GDADRO Cc1sc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000419043977 531888427 /nfs/dbraw/zinc/88/84/27/531888427.db2.gz KSWIKMJSFNZMRH-ZDUSSCGKSA-N 1 0 378.885 1.866 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3c(F)cc(Br)cc3F)CCN2C1=O ZINC000566505570 531889454 /nfs/dbraw/zinc/88/94/54/531889454.db2.gz YANULZFXDPCGHL-GZMMTYOYSA-N 1 0 389.200 1.503 20 0 GDADRO CC[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)c1nc(C(F)(F)F)cs1 ZINC000419045480 531889586 /nfs/dbraw/zinc/88/95/86/531889586.db2.gz SFEKRQXWEJMYMQ-VHSXEESVSA-N 1 0 378.420 1.940 20 0 GDADRO C[C@@]1(CNC(=O)C(=O)NCc2ccc(Br)c(F)c2)CCC[NH2+]C1 ZINC000419046662 531889769 /nfs/dbraw/zinc/88/97/69/531889769.db2.gz YPSUOOZXIQLXRR-MRXNPFEDSA-N 1 0 386.265 1.710 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)CC[C@H]1[NH3+] ZINC000419046447 531890315 /nfs/dbraw/zinc/89/03/15/531890315.db2.gz YDXOSPBZZBIJMW-HONMWMINSA-N 1 0 396.285 1.585 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419049912 531891046 /nfs/dbraw/zinc/89/10/46/531891046.db2.gz BUTFRXCWHDOTFH-RNCFNFMXSA-N 1 0 388.693 1.833 20 0 GDADRO Cc1sc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000419050219 531891070 /nfs/dbraw/zinc/89/10/70/531891070.db2.gz YDTMIQYLSMONNA-ZDUSSCGKSA-N 1 0 378.885 1.948 20 0 GDADRO CC1(OCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C[NH2+]C1 ZINC000647922638 531905151 /nfs/dbraw/zinc/90/51/51/531905151.db2.gz KTTNOWZINJXQIU-UHFFFAOYSA-N 1 0 386.279 1.656 20 0 GDADRO Nc1c(Cl)cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1Cl ZINC000368358826 531905283 /nfs/dbraw/zinc/90/52/83/531905283.db2.gz YNRHRGGWPMOVBT-UHFFFAOYSA-N 1 0 388.295 1.875 20 0 GDADRO CS[C@@H]1CN(CC(=O)NCCc2nc3ccccc3s2)C[C@H]1[NH+](C)C ZINC000270658524 531907145 /nfs/dbraw/zinc/90/71/45/531907145.db2.gz OAOOZESKZIQTNR-GDBMZVCRSA-N 1 0 378.567 1.932 20 0 GDADRO O=C(NCc1cc(F)ccc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419161736 531907678 /nfs/dbraw/zinc/90/76/78/531907678.db2.gz SJJGNTHVQYDXNQ-COPLHBTASA-N 1 0 398.276 1.709 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O)c1cccs1 ZINC000298644297 531907904 /nfs/dbraw/zinc/90/79/04/531907904.db2.gz JUSBBMZSWKRFGF-ZIAGYGMSSA-N 1 0 388.559 1.464 20 0 GDADRO CCS(=O)(=O)NC1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000298647197 531908020 /nfs/dbraw/zinc/90/80/20/531908020.db2.gz GOYYYQZKOGBTPN-OAHLLOKOSA-N 1 0 388.559 1.464 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419168027 531908592 /nfs/dbraw/zinc/90/85/92/531908592.db2.gz RLYCIYUUVKDZON-RYUDHWBXSA-N 1 0 388.295 1.822 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419171204 531908604 /nfs/dbraw/zinc/90/86/04/531908604.db2.gz XHGJGFHOZDTZLM-TZMCWYRMSA-N 1 0 382.302 1.817 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419190526 531909539 /nfs/dbraw/zinc/90/95/39/531909539.db2.gz QTDALGCOVBMXFK-CQSZACIVSA-N 1 0 384.318 1.942 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000568511539 531909787 /nfs/dbraw/zinc/90/97/87/531909787.db2.gz ONCNDBWBDRPHRT-DTWKUNHWSA-N 1 0 382.262 1.184 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419188658 531910000 /nfs/dbraw/zinc/91/00/00/531910000.db2.gz KKRURNBDIWUUAH-KRWDZBQOSA-N 1 0 380.286 1.320 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419189625 531910009 /nfs/dbraw/zinc/91/00/09/531910009.db2.gz PXYDTLCUPZONMZ-DOMZBBRYSA-N 1 0 396.329 1.957 20 0 GDADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCC(=O)N1 ZINC000456378547 531910064 /nfs/dbraw/zinc/91/00/64/531910064.db2.gz VINDNPSDMHBHDY-WCQYABFASA-N 1 0 395.301 1.807 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419206889 531912761 /nfs/dbraw/zinc/91/27/61/531912761.db2.gz NPJLLNVCYMBJHD-RYUDHWBXSA-N 1 0 398.301 1.660 20 0 GDADRO CSc1ccc([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1F ZINC000675817342 531912831 /nfs/dbraw/zinc/91/28/31/531912831.db2.gz QIVNDYDBUGOFIP-CYBMUJFWSA-N 1 0 375.535 1.775 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CCO1 ZINC000647863477 531899892 /nfs/dbraw/zinc/89/98/92/531899892.db2.gz CJILJDKTYJYXMP-FZMZJTMJSA-N 1 0 381.274 1.971 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000419122911 531900409 /nfs/dbraw/zinc/90/04/09/531900409.db2.gz XGSHTOUOKRIFSZ-SNVBAGLBSA-N 1 0 376.320 1.803 20 0 GDADRO NC(=O)NC(=O)CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000298581081 531900778 /nfs/dbraw/zinc/90/07/78/531900778.db2.gz QZQJALYQZXOUDD-JTQLQIEISA-N 1 0 398.179 1.676 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)s2)C1 ZINC000419109337 531900856 /nfs/dbraw/zinc/90/08/56/531900856.db2.gz HEUVEBCZXZMXPF-MNOVXSKESA-N 1 0 388.331 1.755 20 0 GDADRO CC1(CNC(=O)C(=O)NCCc2ccc(Br)s2)CC[NH2+]CC1 ZINC000419107890 531901489 /nfs/dbraw/zinc/90/14/89/531901489.db2.gz FVCUXKCPUMCCIA-UHFFFAOYSA-N 1 0 388.331 1.675 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000647906667 531902807 /nfs/dbraw/zinc/90/28/07/531902807.db2.gz DJHYMDLMDLADET-HUUCEWRRSA-N 1 0 388.555 1.313 20 0 GDADRO [NH3+]CC1CCN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)CC1 ZINC000419137482 531903367 /nfs/dbraw/zinc/90/33/67/531903367.db2.gz QSJONCFZJPCELI-UHFFFAOYSA-N 1 0 388.693 1.916 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3nnnn3-c3ccccc3Br)C[C@H]21 ZINC000647907723 531903510 /nfs/dbraw/zinc/90/35/10/531903510.db2.gz LBCDLTZBWREIOX-OUCADQQQSA-N 1 0 377.290 1.984 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419140877 531903901 /nfs/dbraw/zinc/90/39/01/531903901.db2.gz WNUZMRNQMFFLJP-NOZJJQNGSA-N 1 0 388.693 1.833 20 0 GDADRO O=C(NCCCOc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419140281 531904381 /nfs/dbraw/zinc/90/43/81/531904381.db2.gz VOQMVJYDCKPBLE-GFCCVEGCSA-N 1 0 388.295 1.994 20 0 GDADRO COCc1cc(C(=O)OC)cc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000596052103 531904773 /nfs/dbraw/zinc/90/47/73/531904773.db2.gz STJNPZWVCYGNIC-GFCCVEGCSA-N 1 0 384.376 1.130 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000625861842 531917133 /nfs/dbraw/zinc/91/71/33/531917133.db2.gz HUXBGONVCQNJDU-JOYOIKCWSA-N 1 0 380.392 1.399 20 0 GDADRO CS(=O)(=O)Nc1ccc(NC(=O)NCC2([NH3+])CCOCC2)cc1Cl ZINC000625863365 531917753 /nfs/dbraw/zinc/91/77/53/531917753.db2.gz RVUXCIIYBIBFIK-UHFFFAOYSA-N 1 0 376.866 1.341 20 0 GDADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419251953 531917925 /nfs/dbraw/zinc/91/79/25/531917925.db2.gz RUBYILHCJFRUPY-ZDUSSCGKSA-N 1 0 396.310 1.748 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000419256896 531918089 /nfs/dbraw/zinc/91/80/89/531918089.db2.gz XXJSTSYMAKPOMK-JQWIXIFHSA-N 1 0 384.299 1.532 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000419256897 531918585 /nfs/dbraw/zinc/91/85/85/531918585.db2.gz XXJSTSYMAKPOMK-PWSUYJOCSA-N 1 0 384.299 1.532 20 0 GDADRO COc1ccc(COC[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000569081612 531919043 /nfs/dbraw/zinc/91/90/43/531919043.db2.gz HSBCEPUBUJUYET-CQSZACIVSA-N 1 0 385.507 1.828 20 0 GDADRO CC[C@@H](C)[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000456555607 531920599 /nfs/dbraw/zinc/92/05/99/531920599.db2.gz PFFFMFCZWYUNBY-CQSZACIVSA-N 1 0 387.933 1.951 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccsc2C(=O)OC)CC1 ZINC000298799737 531921670 /nfs/dbraw/zinc/92/16/70/531921670.db2.gz FXFGTZCVODVSSC-ZDUSSCGKSA-N 1 0 389.543 1.087 20 0 GDADRO CCC[C@@H](NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000419312490 531923981 /nfs/dbraw/zinc/92/39/81/531923981.db2.gz ZHXYOHZQIHIZBK-ILXRZTDVSA-N 1 0 388.295 1.742 20 0 GDADRO O=C(NCCc1nc2cc(Cl)ccc2s1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419327821 531924512 /nfs/dbraw/zinc/92/45/12/531924512.db2.gz DRSWKQJRTPMGLV-MFKMUULPSA-N 1 0 378.885 1.429 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419336203 531924713 /nfs/dbraw/zinc/92/47/13/531924713.db2.gz PLOSZDYVUUZFTN-CMPLNLGQSA-N 1 0 380.901 1.865 20 0 GDADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419336209 531924741 /nfs/dbraw/zinc/92/47/41/531924741.db2.gz PLOSZDYVUUZFTN-PWSUYJOCSA-N 1 0 380.901 1.865 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419242110 531916744 /nfs/dbraw/zinc/91/67/44/531916744.db2.gz HMVUXCZQNMBEBU-BXKDBHETSA-N 1 0 386.315 1.684 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000368498024 531916941 /nfs/dbraw/zinc/91/69/41/531916941.db2.gz DGPYOLMJGQOAQB-AVGNSLFASA-N 1 0 398.276 1.960 20 0 GDADRO CC[C@H](CNC(=O)C(=O)NCCC[NH2+]C)Cc1cccc(Br)c1 ZINC000419368603 531929474 /nfs/dbraw/zinc/92/94/74/531929474.db2.gz XCPDWLFLMUINKU-ZDUSSCGKSA-N 1 0 384.318 1.860 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419360942 531929949 /nfs/dbraw/zinc/92/99/49/531929949.db2.gz SEWHCOUZLQVJDV-MFKMUULPSA-N 1 0 384.274 1.270 20 0 GDADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000298868262 531932941 /nfs/dbraw/zinc/93/29/41/531932941.db2.gz SNTVDFGSBPUQGV-GJZGRUSLSA-N 1 0 388.555 1.736 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1Br ZINC000419446693 531933365 /nfs/dbraw/zinc/93/33/65/531933365.db2.gz UHCRDSTUFKUCGB-RISCZKNCSA-N 1 0 398.301 1.802 20 0 GDADRO COc1ccc(CNC(=O)C(=O)NC2CCC([NH3+])CC2)cc1Br ZINC000419444638 531933697 /nfs/dbraw/zinc/93/36/97/531933697.db2.gz QQGBLKHRNPMKAS-UHFFFAOYSA-N 1 0 384.274 1.460 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419467001 531934340 /nfs/dbraw/zinc/93/43/40/531934340.db2.gz XALOQHQCUTWHLD-AWEZNQCLSA-N 1 0 382.302 1.696 20 0 GDADRO CCOC(=O)C[C@@H](NC(=O)NCC1(SC)CC[NH+](C)CC1)C(F)(F)F ZINC000597002862 531934722 /nfs/dbraw/zinc/93/47/22/531934722.db2.gz RAGCMAREUWBSFX-LLVKDONJSA-N 1 0 385.452 1.997 20 0 GDADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419481175 531934949 /nfs/dbraw/zinc/93/49/49/531934949.db2.gz QZPYFOQLFSMSID-JTQLQIEISA-N 1 0 386.265 1.633 20 0 GDADRO COC(=O)c1cn(CC[NH2+]Cc2cnc3ccc(Br)cn23)nn1 ZINC000284174242 531937119 /nfs/dbraw/zinc/93/71/19/531937119.db2.gz XEZSOZIJBXLCBJ-UHFFFAOYSA-N 1 0 379.218 1.265 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl)C1CCCC1 ZINC000419568242 531937229 /nfs/dbraw/zinc/93/72/29/531937229.db2.gz KGNWLIURTIDOSR-ZDUSSCGKSA-N 1 0 388.299 1.550 20 0 GDADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000626846329 531937752 /nfs/dbraw/zinc/93/77/52/531937752.db2.gz PVBVGBXUDSZZGK-HNNXBMFYSA-N 1 0 380.286 1.795 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000419588307 531938595 /nfs/dbraw/zinc/93/85/95/531938595.db2.gz ORPDRTPUNUNAJB-PGUXBMHVSA-N 1 0 380.286 1.748 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC2([NH3+])CCOCC2)cc1Cl ZINC000626858717 531938689 /nfs/dbraw/zinc/93/86/89/531938689.db2.gz AZRUYLLRAGIITP-UHFFFAOYSA-N 1 0 390.267 1.955 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1OC ZINC000368639194 531927250 /nfs/dbraw/zinc/92/72/50/531927250.db2.gz SPFTYVPUQOCIEO-IUCAKERBSA-N 1 0 397.266 1.445 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419357184 531928317 /nfs/dbraw/zinc/92/83/17/531928317.db2.gz IJPYGLCPMMDEOV-LBPRGKRZSA-N 1 0 388.295 1.573 20 0 GDADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000457018927 531941029 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C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000572839219 531971833 /nfs/dbraw/zinc/97/18/33/531971833.db2.gz BBHFUFAKCUYWEX-QWHCGFSZSA-N 1 0 388.921 1.482 20 0 GDADRO COCC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000299254511 531973079 /nfs/dbraw/zinc/97/30/79/531973079.db2.gz QQSAAKIFYAZBNJ-UHFFFAOYSA-N 1 0 376.425 1.524 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC1=CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000419813914 531973276 /nfs/dbraw/zinc/97/32/76/531973276.db2.gz JWFBFVYLCBUPSD-UHFFFAOYSA-N 1 0 394.313 1.879 20 0 GDADRO COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1cc(Br)ccc1OC ZINC000271163620 531974277 /nfs/dbraw/zinc/97/42/77/531974277.db2.gz RWESWRFPCLLQEB-ZDUSSCGKSA-N 1 0 396.241 1.624 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000419829271 531975203 /nfs/dbraw/zinc/97/52/03/531975203.db2.gz IIAZCXBXXKGOOF-UHFFFAOYSA-N 1 0 386.265 1.934 20 0 GDADRO CN(C(=O)C(=O)NCCC[NH3+])[C@H]1CCSc2ccc(Br)cc21 ZINC000419826584 531975732 /nfs/dbraw/zinc/97/57/32/531975732.db2.gz 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CO[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCOC1 ZINC000657539602 532008921 /nfs/dbraw/zinc/00/89/21/532008921.db2.gz ANGSIQDGGLLRMN-WCQYABFASA-N 1 0 393.303 1.238 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000420213740 532009483 /nfs/dbraw/zinc/00/94/83/532009483.db2.gz VBNLQSBWNYVSKB-QWHCGFSZSA-N 1 0 384.933 1.289 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C1 ZINC000420446588 532013084 /nfs/dbraw/zinc/01/30/84/532013084.db2.gz HNMWGFVBRCNBJL-ZYHUDNBSSA-N 1 0 379.404 1.384 20 0 GDADRO CS[C@H]1CN(C(=O)c2nccn3c(Br)cnc23)C[C@H]1[NH+](C)C ZINC000271416043 532013351 /nfs/dbraw/zinc/01/33/51/532013351.db2.gz YNQSMNFTTMKINB-ZJUUUORDSA-N 1 0 384.303 1.609 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000632151197 532012968 /nfs/dbraw/zinc/01/29/68/532012968.db2.gz AMAGNIDVMMWXSC-OAHLLOKOSA-N 1 0 378.441 1.943 20 0 GDADRO COc1cc(S(=O)(=O)NCCC[NH2+]C2CC2)c(OC)cc1Br ZINC000420449162 532014192 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GDADRO CN(CCN1CC[NH2+]CC1)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000387838251 532296226 /nfs/dbraw/zinc/29/62/26/532296226.db2.gz FBSLKHLOUMJGPG-UHFFFAOYSA-N 1 0 390.347 1.060 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1I ZINC000389779190 532297257 /nfs/dbraw/zinc/29/72/57/532297257.db2.gz FBUOYBSNGRQVGL-SNVBAGLBSA-N 1 0 378.185 1.539 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000288594450 532297899 /nfs/dbraw/zinc/29/78/99/532297899.db2.gz YEZPBDOULPXZLJ-OLZOCXBDSA-N 1 0 385.917 1.947 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH+](C)C)CCC2)c(Br)o1 ZINC000275513405 532298648 /nfs/dbraw/zinc/29/86/48/532298648.db2.gz UCTCNTPZBVJGJN-UHFFFAOYSA-N 1 0 395.275 1.591 20 0 GDADRO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cn1 ZINC000288598048 532298714 /nfs/dbraw/zinc/29/87/14/532298714.db2.gz NQQDTFORMLQZLT-SGMGOOAPSA-N 1 0 397.317 1.962 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000288645237 532301005 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JRNUHHZACUKUSW-UHFFFAOYSA-N 1 0 385.447 1.807 20 0 GDADRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1 ZINC000821189533 607303129 /nfs/dbraw/zinc/30/31/29/607303129.db2.gz OEBDQZCKWKUZMT-GFCCVEGCSA-N 1 0 381.506 1.437 20 0 GDADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000736010510 599275232 /nfs/dbraw/zinc/27/52/32/599275232.db2.gz SFPVYUZGUCQCOP-MRXNPFEDSA-N 1 0 378.484 1.562 20 0 GDADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1C)[NH+](C)C ZINC000736337167 599282891 /nfs/dbraw/zinc/28/28/91/599282891.db2.gz IEGVUSBWASGQGK-INIZCTEOSA-N 1 0 387.488 1.596 20 0 GDADRO Cc1nc(CN(C)[C@H]2CC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000737471599 599289836 /nfs/dbraw/zinc/28/98/36/599289836.db2.gz LDYROLIEGUBSKM-HNNXBMFYSA-N 1 0 384.444 1.143 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1sccc1-c1nn[nH]n1 ZINC000736767955 598231356 /nfs/dbraw/zinc/23/13/56/598231356.db2.gz VDSYMBICXFVLLX-UHFFFAOYSA-N 1 0 380.474 1.274 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736269890 598252113 /nfs/dbraw/zinc/25/21/13/598252113.db2.gz YYNRKURHEFKGHF-LBPRGKRZSA-N 1 0 382.465 1.549 20 0 GDADRO O=C(CC[NH+]1CCC(N2CCCC2=O)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737837557 598253142 /nfs/dbraw/zinc/25/31/42/598253142.db2.gz ILNBHTSWETYUPI-UHFFFAOYSA-N 1 0 389.485 1.344 20 0 GDADRO O=C(CC[N@H+]1CCC[C@H]1CO)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000737844962 598262277 /nfs/dbraw/zinc/26/22/77/598262277.db2.gz XFVWERXGVQZXFJ-LBPRGKRZSA-N 1 0 390.513 1.982 20 0 GDADRO CN1CC[NH+](CCCCNC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736862790 598276977 /nfs/dbraw/zinc/27/69/77/598276977.db2.gz FRRMQDSUFRMAPI-UHFFFAOYSA-N 1 0 392.895 1.669 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736236988 598285946 /nfs/dbraw/zinc/28/59/46/598285946.db2.gz NBBKAOMPDOPSKY-OAGGEKHMSA-N 1 0 383.500 1.777 20 0 GDADRO C[C@]1(c2ccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cc2)NC(=O)NC1=O ZINC000736225148 598300036 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CC(C)(CNC(=O)c1ccc(-c2nn[nH]n2)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000735670057 598442658 /nfs/dbraw/zinc/44/26/58/598442658.db2.gz BFIJZJJHCGGARS-UHFFFAOYSA-N 1 0 377.452 1.828 20 0 GDADRO COc1cccc([C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)cn2)[NH+]2CCCC2)c1 ZINC000737128191 598456811 /nfs/dbraw/zinc/45/68/11/598456811.db2.gz SNFYHPVBEJDWMM-GOSISDBHSA-N 1 0 393.451 1.837 20 0 GDADRO O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000737793359 598465063 /nfs/dbraw/zinc/46/50/63/598465063.db2.gz XONOUZNKOHLVDT-RBUKOAKNSA-N 1 0 395.511 1.922 20 0 GDADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736249850 598485024 /nfs/dbraw/zinc/48/50/24/598485024.db2.gz LHRLUJTWSMGZCE-TXEJJXNPSA-N 1 0 389.435 1.323 20 0 GDADRO c1nn2cc(C[NH2+]CCN3CCc4ccccc4C3)cnc2c1-c1nn[nH]n1 ZINC000738439734 598494172 /nfs/dbraw/zinc/49/41/72/598494172.db2.gz CFSCLUDVMQIEMM-UHFFFAOYSA-N 1 0 375.440 1.057 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737006816 598496766 /nfs/dbraw/zinc/49/67/66/598496766.db2.gz JNSKYBLIPDREJX-LBPRGKRZSA-N 1 0 395.920 1.917 20 0 GDADRO C[NH+]1CCN(C[C@@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)c2ccccc2)CC1 ZINC000736865182 598500172 /nfs/dbraw/zinc/50/01/72/598500172.db2.gz WNTYKCQTDAYCEP-LJQANCHMSA-N 1 0 391.479 1.585 20 0 GDADRO CC[N@H+](C)[C@H](C(=O)NCCNc1ncccc1-c1nn[nH]n1)c1ccccc1 ZINC000736509550 598506678 /nfs/dbraw/zinc/50/66/78/598506678.db2.gz GMVDDEPKGQSDBR-INIZCTEOSA-N 1 0 380.456 1.483 20 0 GDADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000735488397 598519488 /nfs/dbraw/zinc/51/94/88/598519488.db2.gz LLGYRDKERDLPCN-YPMHNXCESA-N 1 0 381.444 1.414 20 0 GDADRO C[C@@H](OCCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736165370 598520242 /nfs/dbraw/zinc/52/02/42/598520242.db2.gz UMPFDVMLWQTVLN-CABCVRRESA-N 1 0 382.472 1.862 20 0 GDADRO COCC[N@H+](C)CCOc1cccc(CNc2nccnc2-c2nn[nH]n2)c1 ZINC000736990536 598522801 /nfs/dbraw/zinc/52/28/01/598522801.db2.gz OYSODUPHTWAFHY-UHFFFAOYSA-N 1 0 384.444 1.226 20 0 GDADRO C[C@H](COc1ccc(F)cc1F)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736036616 598524121 /nfs/dbraw/zinc/52/41/21/598524121.db2.gz FMPGKMLNORMKGT-GHMZBOCLSA-N 1 0 390.398 1.440 20 0 GDADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737073087 598524829 /nfs/dbraw/zinc/52/48/29/598524829.db2.gz PLGQYYRPPKHEHH-NWDGAFQWSA-N 1 0 384.444 1.473 20 0 GDADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1OC ZINC000737073090 598524864 /nfs/dbraw/zinc/52/48/64/598524864.db2.gz PLGQYYRPPKHEHH-RYUDHWBXSA-N 1 0 384.444 1.473 20 0 GDADRO c1cn(-c2ccccc2C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cn1 ZINC000738427388 598525563 /nfs/dbraw/zinc/52/55/63/598525563.db2.gz WBTDGUWHLXMWQU-ZDUSSCGKSA-N 1 0 376.428 1.080 20 0 GDADRO COc1ccccc1OCCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737153266 598529611 /nfs/dbraw/zinc/52/96/11/598529611.db2.gz YOUXECGPUHPXEM-ZDUSSCGKSA-N 1 0 384.444 1.172 20 0 GDADRO O=C(c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000738257110 598557098 /nfs/dbraw/zinc/55/70/98/598557098.db2.gz FSXIRNLXSARTIU-HNNXBMFYSA-N 1 0 394.435 1.959 20 0 GDADRO CN1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1=O ZINC000736847627 598561846 /nfs/dbraw/zinc/56/18/46/598561846.db2.gz VTEDHCPPNZTXHR-MRXNPFEDSA-N 1 0 378.436 1.766 20 0 GDADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736772132 598563928 /nfs/dbraw/zinc/56/39/28/598563928.db2.gz XPEMYLHJOYIPDF-UHFFFAOYSA-N 1 0 393.451 1.226 20 0 GDADRO O[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc2ccccc2c1 ZINC000738381974 598569385 /nfs/dbraw/zinc/56/93/85/598569385.db2.gz OGOUDMBKHFEHMA-UGSOOPFHSA-N 1 0 390.451 1.581 20 0 GDADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)COc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736760761 598569755 /nfs/dbraw/zinc/56/97/55/598569755.db2.gz CBQHQLQCYUHZOZ-MRXNPFEDSA-N 1 0 378.436 1.765 20 0 GDADRO CCCC[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC000736456212 598580154 /nfs/dbraw/zinc/58/01/54/598580154.db2.gz FPSZFIKIEWYJKS-HNNXBMFYSA-N 1 0 388.497 1.909 20 0 GDADRO CC[NH+]1CCC(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736564694 598596561 /nfs/dbraw/zinc/59/65/61/598596561.db2.gz CNNJMIMPMQQXHN-GOSISDBHSA-N 1 0 383.500 1.684 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736980343 598626205 /nfs/dbraw/zinc/62/62/05/598626205.db2.gz DBWWOMRUQNIVBG-UHFFFAOYSA-N 1 0 377.424 1.628 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737006001 598627774 /nfs/dbraw/zinc/62/77/74/598627774.db2.gz FFAYJULLHAJDOT-LBPRGKRZSA-N 1 0 379.852 1.752 20 0 GDADRO CC(C)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+]1CCN(C)CC1 ZINC000735711843 598629940 /nfs/dbraw/zinc/62/99/40/598629940.db2.gz YVSWWGWDBUWWBJ-INIZCTEOSA-N 1 0 390.467 1.399 20 0 GDADRO CC(C)(CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)[NH+]1CCCCC1 ZINC000735671286 598689588 /nfs/dbraw/zinc/68/95/88/598689588.db2.gz RHJANWIRVUSPGD-UHFFFAOYSA-N 1 0 382.465 1.549 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736267487 598689647 /nfs/dbraw/zinc/68/96/47/598689647.db2.gz SKSWWTWGLKBNBM-VXGBXAGGSA-N 1 0 382.465 1.405 20 0 GDADRO O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000738353878 598692413 /nfs/dbraw/zinc/69/24/13/598692413.db2.gz HZBQGXYTCVBCNR-UHFFFAOYSA-N 1 0 394.476 1.645 20 0 GDADRO O=c1[nH]c2ccccc2cc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000738372416 598701181 /nfs/dbraw/zinc/70/11/81/598701181.db2.gz PTRBYYNPZMMIIX-UHFFFAOYSA-N 1 0 388.435 1.838 20 0 GDADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000736478687 598716925 /nfs/dbraw/zinc/71/69/25/598716925.db2.gz AJWQKPVPVZYAPR-QGZVFWFLSA-N 1 0 386.504 1.034 20 0 GDADRO O=C([C@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1)N1CCCC1 ZINC000737792800 598728264 /nfs/dbraw/zinc/72/82/64/598728264.db2.gz TYJQWHRZODXXLG-KRWDZBQOSA-N 1 0 384.484 1.970 20 0 GDADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000735905143 598731872 /nfs/dbraw/zinc/73/18/72/598731872.db2.gz FQPMMTLOUFUOLU-CQSZACIVSA-N 1 0 388.476 1.021 20 0 GDADRO O=C(NCCCCC[NH+]1CCCCC1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000738054234 598734703 /nfs/dbraw/zinc/73/47/03/598734703.db2.gz CZOZAASNLNODCI-UHFFFAOYSA-N 1 0 385.472 1.578 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736847137 598754444 /nfs/dbraw/zinc/75/44/44/598754444.db2.gz FEEKJTYTGIEEKQ-UHFFFAOYSA-N 1 0 391.863 1.259 20 0 GDADRO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736847602 598754614 /nfs/dbraw/zinc/75/46/14/598754614.db2.gz IDDSZRUZKFBBCB-GOSISDBHSA-N 1 0 383.500 1.636 20 0 GDADRO C[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000736146292 598771688 /nfs/dbraw/zinc/77/16/88/598771688.db2.gz GQICSMOQRSUIKV-JTQLQIEISA-N 1 0 375.383 1.196 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)CC[NH+](C)C)c1-c1nn[nH]n1 ZINC000737189153 598813554 /nfs/dbraw/zinc/81/35/54/598813554.db2.gz JYZBDXJXDDUBJB-SNVBAGLBSA-N 1 0 375.502 1.931 20 0 GDADRO CCS(=O)(=O)N(C)C1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736659766 599320120 /nfs/dbraw/zinc/32/01/20/599320120.db2.gz VWWUJFLVPZIXRH-CYBMUJFWSA-N 1 0 378.502 1.674 20 0 GDADRO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)NCCC[NH+]1CCC(O)CC1 ZINC000737932595 599346524 /nfs/dbraw/zinc/34/65/24/599346524.db2.gz OISMMCRMOSTUSY-UHFFFAOYSA-N 1 0 390.513 1.063 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)[C@@H](C)C1 ZINC000821254430 599347395 /nfs/dbraw/zinc/34/73/95/599347395.db2.gz LZRPTCPFYNVYSH-ZFWWWQNUSA-N 1 0 378.502 1.526 20 0 GDADRO O=C1CCCCN1CC1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738304439 599358744 /nfs/dbraw/zinc/35/87/44/599358744.db2.gz YRIOSOGMHUKFDZ-UHFFFAOYSA-N 1 0 384.484 1.970 20 0 GDADRO C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420415 599361991 /nfs/dbraw/zinc/36/19/91/599361991.db2.gz QLFGGOXOWYGJQB-CYBMUJFWSA-N 1 0 383.456 1.772 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)C1 ZINC000821189822 599372052 /nfs/dbraw/zinc/37/20/52/599372052.db2.gz VCGCVLDOIQVEAW-AWEZNQCLSA-N 1 0 378.502 1.528 20 0 GDADRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419837 599375573 /nfs/dbraw/zinc/37/55/73/599375573.db2.gz KMXHCNANKREQRN-CYBMUJFWSA-N 1 0 387.465 2.000 20 0 GDADRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2=O)n(C)n1 ZINC000822206888 599387396 /nfs/dbraw/zinc/38/73/96/599387396.db2.gz CAORBQDAATXGRJ-CJNGLKHVSA-N 1 0 380.456 1.755 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000820410383 599388280 /nfs/dbraw/zinc/38/82/80/599388280.db2.gz DYVMPECQKYHDSP-STQMWFEESA-N 1 0 391.435 1.891 20 0 GDADRO COc1ccc(C[NH2+]CCN2CCN(c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000821813282 599401634 /nfs/dbraw/zinc/40/16/34/599401634.db2.gz DBJISBFSAURGCK-UHFFFAOYSA-N 1 0 393.495 1.787 20 0 GDADRO COc1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)cc1-c1nn[nH]n1 ZINC000821818003 599401802 /nfs/dbraw/zinc/40/18/02/599401802.db2.gz HBRZRRLVLUSNJU-UHFFFAOYSA-N 1 0 376.424 1.805 20 0 GDADRO COc1ccc(CNC(=O)C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000821799058 599416138 /nfs/dbraw/zinc/41/61/38/599416138.db2.gz YRKWFXLGHQQWBM-UHFFFAOYSA-N 1 0 382.424 1.290 20 0 GDADRO COc1ccc(C[NH2+]CCNC(=O)c2c(F)cccc2F)cc1-c1nn[nH]n1 ZINC000821814226 599437147 /nfs/dbraw/zinc/43/71/47/599437147.db2.gz YHHAPMAQOBOFRW-UHFFFAOYSA-N 1 0 388.378 1.673 20 0 GDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820698292 599438891 /nfs/dbraw/zinc/43/88/91/599438891.db2.gz SKMFOVHMEFSUSK-GJZGRUSLSA-N 1 0 387.488 1.808 20 0 GDADRO C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820357900 599441024 /nfs/dbraw/zinc/44/10/24/599441024.db2.gz KEHWMTBOONAOKL-LSDHHAIUSA-N 1 0 399.499 1.728 20 0 GDADRO COc1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc2c1OCCO2 ZINC000821717816 599450979 /nfs/dbraw/zinc/45/09/79/599450979.db2.gz ZUKKPUUBHRJEJQ-UHFFFAOYSA-N 1 0 383.408 1.815 20 0 GDADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820025911 599467869 /nfs/dbraw/zinc/46/78/69/599467869.db2.gz FKPGAHCSVNCQAS-QGZVFWFLSA-N 1 0 388.472 1.155 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000822336919 599469675 /nfs/dbraw/zinc/46/96/75/599469675.db2.gz UGEZCHOXEIQYJL-GOSISDBHSA-N 1 0 394.527 1.829 20 0 GDADRO COc1cccc(C(=O)NCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000737122396 599486803 /nfs/dbraw/zinc/48/68/03/599486803.db2.gz SSAQFROOJIQLHT-UHFFFAOYSA-N 1 0 392.423 1.043 20 0 GDADRO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)CC2 ZINC000735952671 599488307 /nfs/dbraw/zinc/48/83/07/599488307.db2.gz KIMGKMSOFSJLMR-CYBMUJFWSA-N 1 0 378.444 1.334 20 0 GDADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000736482214 599492136 /nfs/dbraw/zinc/49/21/36/599492136.db2.gz XXUDIZMBFVRBKV-KRWDZBQOSA-N 1 0 387.488 1.509 20 0 GDADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736510219 599511111 /nfs/dbraw/zinc/51/11/11/599511111.db2.gz SCKDISHQTNIKFO-UHFFFAOYSA-N 1 0 393.451 1.573 20 0 GDADRO C[C@@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820751821 599535757 /nfs/dbraw/zinc/53/57/57/599535757.db2.gz ICELISMOQDXKOM-HIFRSBDPSA-N 1 0 391.907 1.361 20 0 GDADRO CC(C)(C)[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000819898996 599536654 /nfs/dbraw/zinc/53/66/54/599536654.db2.gz LYTMDSZIHVGJTP-KRWDZBQOSA-N 1 0 381.484 1.944 20 0 GDADRO Cc1cc(C)cc([C@@H](O)C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1 ZINC000822196654 599565002 /nfs/dbraw/zinc/56/50/02/599565002.db2.gz RHLAQAXNXZSATF-SFHVURJKSA-N 1 0 379.468 1.734 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000735562725 599585531 /nfs/dbraw/zinc/58/55/31/599585531.db2.gz QQPXUJDQPLVEFR-HZPDHXFCSA-N 1 0 399.499 1.380 20 0 GDADRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)cn1 ZINC000737601286 599585725 /nfs/dbraw/zinc/58/57/25/599585725.db2.gz CAWKHEHEHLZJJT-UHFFFAOYSA-N 1 0 398.446 1.381 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)c1-c1nn[nH]n1 ZINC000822319180 599596772 /nfs/dbraw/zinc/59/67/72/599596772.db2.gz LPRUXUOSPHGPSE-UHFFFAOYSA-N 1 0 399.499 1.884 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821182571 599616140 /nfs/dbraw/zinc/61/61/40/599616140.db2.gz WVASBMGGSQDAKU-GFCCVEGCSA-N 1 0 389.435 1.135 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821088426 599674954 /nfs/dbraw/zinc/67/49/54/599674954.db2.gz NMEGJSSBKWIBRJ-ZDUSSCGKSA-N 1 0 375.452 1.879 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000823212026 599677234 /nfs/dbraw/zinc/67/72/34/599677234.db2.gz UASDCAGLUONVNI-INIZCTEOSA-N 1 0 385.472 1.515 20 0 GDADRO O=C(CN1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822992831 599691493 /nfs/dbraw/zinc/69/14/93/599691493.db2.gz NLNHFLCLPDXHMX-UHFFFAOYSA-N 1 0 399.499 1.382 20 0 GDADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1cccnc1 ZINC000819857645 599697286 /nfs/dbraw/zinc/69/72/86/599697286.db2.gz TWTOZNZSRLOSHN-HNNXBMFYSA-N 1 0 379.468 1.956 20 0 GDADRO O=C([O-])/C=C1/SCC(=O)N1CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000739624643 599850814 /nfs/dbraw/zinc/85/08/14/599850814.db2.gz JEXXGTOUYZAZTK-NBVRZTHBSA-N 1 0 397.541 1.312 20 0 GDADRO CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C[C@@H](C)C(=O)[O-])C3CC3)cc2)CC1 ZINC000737122645 599952000 /nfs/dbraw/zinc/95/20/00/599952000.db2.gz LOMUOTQIEYNHQG-MRXNPFEDSA-N 1 0 388.512 1.952 20 0 GDADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000737086244 600122822 /nfs/dbraw/zinc/12/28/22/600122822.db2.gz IMSRKDNFCCNYJO-MRXNPFEDSA-N 1 0 391.516 1.745 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000737441356 600552221 /nfs/dbraw/zinc/55/22/21/600552221.db2.gz NCZBGANYOIEPEM-UHFFFAOYSA-N 1 0 389.500 1.453 20 0 GDADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000826160181 607488504 /nfs/dbraw/zinc/48/85/04/607488504.db2.gz IEXHAVALAKAOPM-DZGCQCFKSA-N 1 0 388.472 1.238 20 0 GDADRO COc1ccc(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1-c1nn[nH]n1 ZINC000826195260 607492204 /nfs/dbraw/zinc/49/22/04/607492204.db2.gz NDGKOKISLYFVIP-IRXDYDNUSA-N 1 0 399.543 1.866 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823594039 607497174 /nfs/dbraw/zinc/49/71/74/607497174.db2.gz APKCHZLPUZILCJ-YOEHRIQHSA-N 1 0 388.497 1.504 20 0 GDADRO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1C(=O)[O-] ZINC000828438565 601536535 /nfs/dbraw/zinc/53/65/35/601536535.db2.gz DYIQISKMQCROLW-WMLDXEAASA-N 1 0 377.510 1.826 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000826183564 607526340 /nfs/dbraw/zinc/52/63/40/607526340.db2.gz SWDIRBLNJFIBMN-UHFFFAOYSA-N 1 0 380.456 1.686 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1-c1nn[nH]n1 ZINC000826301371 607547104 /nfs/dbraw/zinc/54/71/04/607547104.db2.gz CLNBUXUIZXKEOI-AWEZNQCLSA-N 1 0 376.486 1.424 20 0 GDADRO O=C(C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826410070 607558551 /nfs/dbraw/zinc/55/85/51/607558551.db2.gz AFSAINAFVHOLDG-NEPJUHHUSA-N 1 0 376.848 1.817 20 0 GDADRO CC1CC[NH+](CCCCNS(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000824956592 607588931 /nfs/dbraw/zinc/58/89/31/607588931.db2.gz TWWHUPGKSIJFAN-UHFFFAOYSA-N 1 0 396.492 1.796 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826488196 607589344 /nfs/dbraw/zinc/58/93/44/607589344.db2.gz KFUOKVOFEYBUPM-RYUDHWBXSA-N 1 0 382.877 1.425 20 0 GDADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)C1 ZINC000824938606 607595713 /nfs/dbraw/zinc/59/57/13/607595713.db2.gz VUPCNPFPPPGNAC-GFCCVEGCSA-N 1 0 396.492 1.795 20 0 GDADRO O=C([O-])N1CCC[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000739416609 603257591 /nfs/dbraw/zinc/25/75/91/603257591.db2.gz IPRCGHAGMUASPK-MRXNPFEDSA-N 1 0 390.488 1.035 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccccc2-c2nn[nH]n2)Cc2ccccc2C1 ZINC000825848871 607645912 /nfs/dbraw/zinc/64/59/12/607645912.db2.gz GWIDAHKNUWEKBS-UHFFFAOYSA-N 1 0 398.492 1.244 20 0 GDADRO Cn1cc(I)c(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)n1 ZINC000529330791 649940561 /nfs/dbraw/zinc/94/05/61/649940561.db2.gz NGYXHAXTSSPYIO-LLVKDONJSA-N 1 0 389.241 1.109 20 0 GDADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000824877394 607667393 /nfs/dbraw/zinc/66/73/93/607667393.db2.gz XZVJHYDHBVABCK-XQQFMLRXSA-N 1 0 396.492 1.651 20 0 GDADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000825866041 607670995 /nfs/dbraw/zinc/67/09/95/607670995.db2.gz PXBNLJBQQRIXFV-UHFFFAOYSA-N 1 0 382.465 1.501 20 0 GDADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)C[C@H]12 ZINC000529596525 649949205 /nfs/dbraw/zinc/94/92/05/649949205.db2.gz QUPBMMDUVBSBBK-DTORHVGOSA-N 1 0 381.255 1.605 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000833621375 605043865 /nfs/dbraw/zinc/04/38/65/605043865.db2.gz AVZRQYCCGWRYGE-KRWDZBQOSA-N 1 0 376.501 1.699 20 0 GDADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C(=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000833620698 605051352 /nfs/dbraw/zinc/05/13/52/605051352.db2.gz DGKFLKSNHFACMP-IMFGXOCKSA-N 1 0 391.512 1.082 20 0 GDADRO Cc1cc(NC[C@](C)(O)C[NH+](C)C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000826271213 607738391 /nfs/dbraw/zinc/73/83/91/607738391.db2.gz IGAUPHXOFHZGGX-IBGZPJMESA-N 1 0 380.456 1.701 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407429 607748695 /nfs/dbraw/zinc/74/86/95/607748695.db2.gz MRONRAXXNBKNIK-AWEZNQCLSA-N 1 0 381.444 1.199 20 0 GDADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000826160243 607751959 /nfs/dbraw/zinc/75/19/59/607751959.db2.gz KQORRNSJWHDSBJ-INIZCTEOSA-N 1 0 386.481 1.392 20 0 GDADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)CC1(O)CCCC1 ZINC000825915385 607755209 /nfs/dbraw/zinc/75/52/09/607755209.db2.gz YMPLPMBQXLHSJU-UHFFFAOYSA-N 1 0 390.513 1.982 20 0 GDADRO CN(C(=O)c1ccc(-c2nn[nH]n2)nc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821573105 606033423 /nfs/dbraw/zinc/03/34/23/606033423.db2.gz BDDGBSJSJYLDLI-KRWDZBQOSA-N 1 0 377.452 1.998 20 0 GDADRO COCc1nsc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000821696617 606062737 /nfs/dbraw/zinc/06/27/37/606062737.db2.gz JWXJNTUOKYHQHE-UHFFFAOYSA-N 1 0 386.485 1.577 20 0 GDADRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820648936 606069438 /nfs/dbraw/zinc/06/94/38/606069438.db2.gz GTFKAFWCNORBAS-VBKZILBWSA-N 1 0 386.500 1.650 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821088860 606093552 /nfs/dbraw/zinc/09/35/52/606093552.db2.gz YSPUDXHDKLHBNE-AWEZNQCLSA-N 1 0 375.477 1.679 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000821702562 606098459 /nfs/dbraw/zinc/09/84/59/606098459.db2.gz YCXNZNAXMRYSET-INIZCTEOSA-N 1 0 386.500 1.918 20 0 GDADRO NC(=O)C1([NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCCCC1 ZINC000822860032 606154071 /nfs/dbraw/zinc/15/40/71/606154071.db2.gz LYOHDAXACGKBLY-UHFFFAOYSA-N 1 0 377.836 1.236 20 0 GDADRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)cs3)C2=O)cc1 ZINC000821795123 606220175 /nfs/dbraw/zinc/22/01/75/606220175.db2.gz UICUKIVNUZYHCE-MRXNPFEDSA-N 1 0 384.465 1.828 20 0 GDADRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2=O)c1 ZINC000821724916 606225021 /nfs/dbraw/zinc/22/50/21/606225021.db2.gz ZMWNFVTTYACRGX-SFHVURJKSA-N 1 0 394.435 1.779 20 0 GDADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821596683 606258462 /nfs/dbraw/zinc/25/84/62/606258462.db2.gz RIHKJWQKCHEWDS-MRXNPFEDSA-N 1 0 379.468 1.799 20 0 GDADRO C[C@H](NC(=O)Cc1ccc(-c2nn[nH]n2)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000820335311 606283565 /nfs/dbraw/zinc/28/35/65/606283565.db2.gz VXILCPOTVFKSQG-HNNXBMFYSA-N 1 0 384.484 1.559 20 0 GDADRO CC(C)[NH+]1CCC(N[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000820127670 606307608 /nfs/dbraw/zinc/30/76/08/606307608.db2.gz MDYKGQDVTVOJOQ-CQSZACIVSA-N 1 0 375.502 1.496 20 0 GDADRO CC[NH+](CC)[C@@H]1CCN([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821182297 606330719 /nfs/dbraw/zinc/33/07/19/606330719.db2.gz UJMAJNZEANCUIG-OCCSQVGLSA-N 1 0 375.502 1.450 20 0 GDADRO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358627 606330808 /nfs/dbraw/zinc/33/08/08/606330808.db2.gz OGSQAQBAFYDNHV-SJCJKPOMSA-N 1 0 375.502 1.664 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000821002343 606331723 /nfs/dbraw/zinc/33/17/23/606331723.db2.gz WBANTZGAGGSQPE-QZTJIDSGSA-N 1 0 383.500 1.432 20 0 GDADRO O=C(NCCNc1ncccc1-c1nn[nH]n1)NC1CC[NH+](C2CCCC2)CC1 ZINC000823206103 606385170 /nfs/dbraw/zinc/38/51/70/606385170.db2.gz JKZHZLYMQGODJY-UHFFFAOYSA-N 1 0 399.503 1.380 20 0 GDADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NCCN3CCC([NH+](C)C)CC3)c2c1 ZINC000822196403 606403389 /nfs/dbraw/zinc/40/33/89/606403389.db2.gz IEPXFHSYCYVOMI-UHFFFAOYSA-N 1 0 394.527 1.892 20 0 GDADRO Fc1ccc(N2CCN(CC[NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000822778944 606408180 /nfs/dbraw/zinc/40/81/80/606408180.db2.gz PBMHWJHWQRKKQI-UHFFFAOYSA-N 1 0 387.488 1.979 20 0 GDADRO CN1CC[NH+](CC2CCN(c3ccc(Cl)c(-c4nn[nH]n4)n3)CC2)CC1 ZINC000821626994 606460941 /nfs/dbraw/zinc/46/09/41/606460941.db2.gz IJETYVROVQIXAT-UHFFFAOYSA-N 1 0 376.896 1.379 20 0 GDADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000822733147 606489264 /nfs/dbraw/zinc/48/92/64/606489264.db2.gz QZUUNUDRWSWERD-CYBMUJFWSA-N 1 0 376.371 1.724 20 0 GDADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000822733149 606489351 /nfs/dbraw/zinc/48/93/51/606489351.db2.gz QZUUNUDRWSWERD-ZDUSSCGKSA-N 1 0 376.371 1.724 20 0 GDADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000822732587 606515166 /nfs/dbraw/zinc/51/51/66/606515166.db2.gz LHWLNZLDPCFPRK-UHFFFAOYSA-N 1 0 394.426 1.765 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820092278 606536221 /nfs/dbraw/zinc/53/62/21/606536221.db2.gz KHNHMDWDBZCRSG-WMLDXEAASA-N 1 0 388.472 1.107 20 0 GDADRO C[NH+]1CCN(C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)s2)c2ccccc2)CC1 ZINC000821626849 606548782 /nfs/dbraw/zinc/54/87/82/606548782.db2.gz BFRHVILEHZZFGC-HNNXBMFYSA-N 1 0 397.508 1.647 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000821581024 606584961 /nfs/dbraw/zinc/58/49/61/606584961.db2.gz AXVDYHCTZKXJFI-UKRRQHHQSA-N 1 0 395.471 1.237 20 0 GDADRO C[C@@H](NC(=O)Cc1cccc(-c2nn[nH]n2)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000820334918 606597928 /nfs/dbraw/zinc/59/79/28/606597928.db2.gz QSRCCWZTZFTQQL-OAHLLOKOSA-N 1 0 384.484 1.559 20 0 GDADRO C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820353116 606601532 /nfs/dbraw/zinc/60/15/32/606601532.db2.gz YFADPNYZRXQKAT-CABCVRRESA-N 1 0 385.472 1.291 20 0 GDADRO c1cc(-c2nnc(CN3CC[NH+](C[C@H]4CCOC4)CC3)o2)ccc1-c1nn[nH]n1 ZINC000823738651 606619245 /nfs/dbraw/zinc/61/92/45/606619245.db2.gz XRFSTHARMICOKE-CQSZACIVSA-N 1 0 396.455 1.071 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[C@H]1C ZINC000821253156 606637364 /nfs/dbraw/zinc/63/73/64/606637364.db2.gz DNMJOCYSKARYDE-DGCLKSJQSA-N 1 0 389.435 1.276 20 0 GDADRO C[C@@H]1C[N@@H+](CCCCNC(=O)C=Cc2ccccc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820760780 606641299 /nfs/dbraw/zinc/64/12/99/606641299.db2.gz SYMOCQMVCMMPJR-YQYKAEFUSA-N 1 0 384.484 1.886 20 0 GDADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2N1CC[NH+](CCC2OCCCO2)CC1 ZINC000823798146 606646843 /nfs/dbraw/zinc/64/68/43/606646843.db2.gz UQFJQCDKUDIFFJ-UHFFFAOYSA-N 1 0 395.467 1.690 20 0 GDADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823149408 606683605 /nfs/dbraw/zinc/68/36/05/606683605.db2.gz AVTVTXAUZSCUMR-ZDUSSCGKSA-N 1 0 392.410 1.518 20 0 GDADRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)COC1CCOCC1 ZINC000820120328 606705196 /nfs/dbraw/zinc/70/51/96/606705196.db2.gz CCXDGTMNGQHYJN-KRWDZBQOSA-N 1 0 375.473 1.634 20 0 GDADRO O=C(CC[N@@H+]1CCc2ccccc2[C@H]1CO)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822969251 606720739 /nfs/dbraw/zinc/72/07/39/606720739.db2.gz KPSGHPJNRUSWHY-GOSISDBHSA-N 1 0 378.436 1.787 20 0 GDADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1Cl)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000823289692 606735223 /nfs/dbraw/zinc/73/52/23/606735223.db2.gz MLIDSUQTALZXQU-NEPJUHHUSA-N 1 0 389.847 1.202 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000821266796 606739601 /nfs/dbraw/zinc/73/96/01/606739601.db2.gz HPTHHHKBPWRHLG-LBPRGKRZSA-N 1 0 391.863 1.449 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)CC[N@@H+]1C ZINC000820656393 606741058 /nfs/dbraw/zinc/74/10/58/606741058.db2.gz FDCQYWXMVLBQTJ-GXSJLCMTSA-N 1 0 377.836 1.058 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)COc2ccccc2-c2nn[nH]n2)c2ccccc2O1 ZINC000821584908 606747752 /nfs/dbraw/zinc/74/77/52/606747752.db2.gz XTETYMMEZOFKNP-AWEZNQCLSA-N 1 0 394.435 1.601 20 0 GDADRO O=C1[C@@H](N2CCN(c3cc[nH+]cc3)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504810 606751489 /nfs/dbraw/zinc/75/14/89/606751489.db2.gz UWRHIXPCQOOCKX-HNNXBMFYSA-N 1 0 396.480 1.251 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000819876356 606771802 /nfs/dbraw/zinc/77/18/02/606771802.db2.gz FZMJXHBKYYKGRG-ZMZPIMSZSA-N 1 0 388.497 1.856 20 0 GDADRO Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000822205635 606779371 /nfs/dbraw/zinc/77/93/71/606779371.db2.gz BISNXPJRCAVCDS-CZUORRHYSA-N 1 0 398.446 1.348 20 0 GDADRO COc1ccc(OCC[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000821841389 606779476 /nfs/dbraw/zinc/77/94/76/606779476.db2.gz IYSWVVZVGFYLDW-CQSZACIVSA-N 1 0 396.455 1.255 20 0 GDADRO O=C(CC[N@@H+]1CCc2ccccc2[C@@H]1CO)Nc1sccc1-c1nn[nH]n1 ZINC000822969421 606788599 /nfs/dbraw/zinc/78/85/99/606788599.db2.gz OCKHRAKPYXFNDK-HNNXBMFYSA-N 1 0 384.465 1.849 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000820685427 606806947 /nfs/dbraw/zinc/80/69/47/606806947.db2.gz UJLAKHBVKRUVNO-KBPBESRZSA-N 1 0 399.499 1.639 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820751355 606826459 /nfs/dbraw/zinc/82/64/59/606826459.db2.gz FZGGJWOXKJEHIL-FHLIZLRMSA-N 1 0 383.500 1.680 20 0 GDADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cncn2)cc1 ZINC000820420058 606845214 /nfs/dbraw/zinc/84/52/14/606845214.db2.gz LWWGDCWWEVIJRU-SCLBCKFNSA-N 1 0 376.424 1.832 20 0 GDADRO O=C(c1ccc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1)N1CCCC1 ZINC000823488872 606851325 /nfs/dbraw/zinc/85/13/25/606851325.db2.gz WUXOFRYCGYQGHA-LJQANCHMSA-N 1 0 392.463 1.926 20 0 GDADRO Cc1nsc(N2CCC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822530495 606862402 /nfs/dbraw/zinc/86/24/02/606862402.db2.gz DNGTVCTUBPYOMB-OAHLLOKOSA-N 1 0 386.485 1.272 20 0 GDADRO CC1CCN(C(=O)C2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820717757 606886907 /nfs/dbraw/zinc/88/69/07/606886907.db2.gz VWLCYHKUCQRUSD-IBGZPJMESA-N 1 0 398.511 1.871 20 0 GDADRO O=S(=O)(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000823594168 606890739 /nfs/dbraw/zinc/89/07/39/606890739.db2.gz CQLWKOYEOHQGRF-GFCCVEGCSA-N 1 0 398.439 1.394 20 0 GDADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820666461 606896810 /nfs/dbraw/zinc/89/68/10/606896810.db2.gz HZKOPPWIPCFIFM-RHSMWYFYSA-N 1 0 398.492 1.808 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625393 606898312 /nfs/dbraw/zinc/89/83/12/606898312.db2.gz MMOWUWLLTLZWND-RBUKOAKNSA-N 1 0 385.516 1.002 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821625394 606898365 /nfs/dbraw/zinc/89/83/65/606898365.db2.gz MMOWUWLLTLZWND-RTBURBONSA-N 1 0 385.516 1.002 20 0 GDADRO O[C@H](C[NH+]1CCC(c2nnc3ccccn32)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681702 606899138 /nfs/dbraw/zinc/89/91/38/606899138.db2.gz JBGNEDUJAQZDTI-QGZVFWFLSA-N 1 0 390.451 1.822 20 0 GDADRO CC[C@@]1(C)CC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000820950980 606920075 /nfs/dbraw/zinc/92/00/75/606920075.db2.gz UCTDISRMFVUVEE-IBGZPJMESA-N 1 0 383.456 1.710 20 0 GDADRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820269542 606926722 /nfs/dbraw/zinc/92/67/22/606926722.db2.gz NAQCISFVYGRQEP-IUODEOHRSA-N 1 0 376.461 1.745 20 0 GDADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820563054 606967445 /nfs/dbraw/zinc/96/74/45/606967445.db2.gz MPKFTKPKNSVVCO-LLVKDONJSA-N 1 0 390.444 1.846 20 0 GDADRO CC(C)n1nccc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820215033 607010755 /nfs/dbraw/zinc/01/07/55/607010755.db2.gz QGJQXVYBZOSJKL-UHFFFAOYSA-N 1 0 382.472 1.848 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000822221635 607030080 /nfs/dbraw/zinc/03/00/80/607030080.db2.gz YHBVFXZHBALREU-MRXNPFEDSA-N 1 0 388.472 1.027 20 0 GDADRO CCC(=O)N1CCC([NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000820838666 607047637 /nfs/dbraw/zinc/04/76/37/607047637.db2.gz ZGUBIDRDIRHCFG-UHFFFAOYSA-N 1 0 384.488 1.221 20 0 GDADRO C[C@H](O)C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000820473590 607053830 /nfs/dbraw/zinc/05/38/30/607053830.db2.gz HEQKWONMJDVSPC-LZWOXQAQSA-N 1 0 382.472 1.249 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000820716598 607098308 /nfs/dbraw/zinc/09/83/08/607098308.db2.gz JVGHRPNBOKTWGY-KEYYUXOJSA-N 1 0 380.456 1.973 20 0 GDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCOc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625949 607107006 /nfs/dbraw/zinc/10/70/06/607107006.db2.gz YWWPXCISSNSBKX-RDJZCZTQSA-N 1 0 385.472 1.371 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc2nccnc2n1 ZINC000821585960 607114165 /nfs/dbraw/zinc/11/41/65/607114165.db2.gz CRQFMUGFMBVODQ-UHFFFAOYSA-N 1 0 375.440 1.773 20 0 GDADRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821622225 607125943 /nfs/dbraw/zinc/12/59/43/607125943.db2.gz WSUPTLNLJYWEKL-MRVPVSSYSA-N 1 0 378.853 1.005 20 0 GDADRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820357165 607152957 /nfs/dbraw/zinc/15/29/57/607152957.db2.gz FGTUCXIKHVUIDF-MORSLUCNSA-N 1 0 399.499 1.605 20 0 GDADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(-c2nn[nH]n2)s1 ZINC000823150869 607177857 /nfs/dbraw/zinc/17/78/57/607177857.db2.gz VAKJDYMJHPGOHL-STQMWFEESA-N 1 0 376.486 1.426 20 0 GDADRO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821181615 607180068 /nfs/dbraw/zinc/18/00/68/607180068.db2.gz NKIQJIBFCOBUBT-JTQLQIEISA-N 1 0 379.852 1.305 20 0 GDADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000823160549 607192132 /nfs/dbraw/zinc/19/21/32/607192132.db2.gz CUJZBTDQRLDZDN-MOPGFXCFSA-N 1 0 392.463 1.480 20 0 GDADRO CCC[C@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)[NH+](C)C ZINC000825225482 607792435 /nfs/dbraw/zinc/79/24/35/607792435.db2.gz UDSIKLWYIRUODX-MRXNPFEDSA-N 1 0 375.452 1.385 20 0 GDADRO CC[NH+]1CCC(N(C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825453217 607816164 /nfs/dbraw/zinc/81/61/64/607816164.db2.gz ULWIQIZJJDIWRS-UHFFFAOYSA-N 1 0 378.502 1.057 20 0 GDADRO CC(C)[NH2+][C@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824305888 607829340 /nfs/dbraw/zinc/82/93/40/607829340.db2.gz VZMZFUYBYISNGK-HNNXBMFYSA-N 1 0 378.502 1.103 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000824051773 607859723 /nfs/dbraw/zinc/85/97/23/607859723.db2.gz DKNJHCRBHBMULM-NTZNESFSSA-N 1 0 390.513 1.837 20 0 GDADRO COCC[N@H+](C)CCOc1cccc(CNc2cccc(-c3nn[nH]n3)n2)c1 ZINC000826157614 607898410 /nfs/dbraw/zinc/89/84/10/607898410.db2.gz DHJUCLSYDLYGFX-UHFFFAOYSA-N 1 0 383.456 1.831 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC000825210456 607909939 /nfs/dbraw/zinc/90/99/39/607909939.db2.gz HGBAWOLDTHDWCN-RHSMWYFYSA-N 1 0 392.529 1.795 20 0 GDADRO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825224840 607922394 /nfs/dbraw/zinc/92/23/94/607922394.db2.gz DAQVHWSCXTWEQB-CQSZACIVSA-N 1 0 386.456 1.534 20 0 GDADRO CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825159523 608019510 /nfs/dbraw/zinc/01/95/10/608019510.db2.gz PGSORMAKOJLLRG-OAHLLOKOSA-N 1 0 398.471 1.846 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnn2C2CCCC2)c1-c1nn[nH]n1 ZINC000826083588 608021400 /nfs/dbraw/zinc/02/14/00/608021400.db2.gz NXCPDZZRQOIADP-UHFFFAOYSA-N 1 0 384.448 1.306 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000826077167 608021919 /nfs/dbraw/zinc/02/19/19/608021919.db2.gz BWXDEKPNHJKASR-QWHCGFSZSA-N 1 0 384.419 1.623 20 0 GDADRO CC(C)[NH+]1CCN(C2CCN(C(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 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XJXGUBXLSMLGRZ-KBPBESRZSA-N 1 0 398.471 1.418 20 0 GDADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000825918494 608155590 /nfs/dbraw/zinc/15/55/90/608155590.db2.gz GCQJXBRUXMZSQB-UHFFFAOYSA-N 1 0 394.483 1.979 20 0 GDADRO CCC[C@@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC000825224871 608167560 /nfs/dbraw/zinc/16/75/60/608167560.db2.gz FDYAAZOYOCFFGY-KRWDZBQOSA-N 1 0 387.488 1.497 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000825870480 608217411 /nfs/dbraw/zinc/21/74/11/608217411.db2.gz ODRIESNFQVCKGF-UHFFFAOYSA-N 1 0 381.440 1.474 20 0 GDADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC000825865592 608222044 /nfs/dbraw/zinc/22/20/44/608222044.db2.gz HFMUBUVLFDZPOL-UHFFFAOYSA-N 1 0 380.456 1.264 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc4cc(-c5nn[nH]n5)ccc4n3)CC2)C1 ZINC000826028672 608229049 /nfs/dbraw/zinc/22/90/49/608229049.db2.gz FRHJENVYVIXUMB-KRWDZBQOSA-N 1 0 378.484 1.631 20 0 GDADRO Cn1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826363035 608241798 /nfs/dbraw/zinc/24/17/98/608241798.db2.gz UDRBLCPLCXTFTF-UHFFFAOYSA-N 1 0 395.471 1.018 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N2CC[N@H+](C[C@H](O)c3ccccc3)[C@@H](C)C2)n1 ZINC000826274720 608283654 /nfs/dbraw/zinc/28/36/54/608283654.db2.gz BWQMDGCHYZSYJC-YJBOKZPZSA-N 1 0 379.468 1.814 20 0 GDADRO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)cc1-c1nn[nH]n1 ZINC000826202116 608286911 /nfs/dbraw/zinc/28/69/11/608286911.db2.gz OMAFLWMPKWLFIY-GFCCVEGCSA-N 1 0 377.412 1.702 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000826275349 608288667 /nfs/dbraw/zinc/28/86/67/608288667.db2.gz XGHBNOODHUMOCB-HNNXBMFYSA-N 1 0 379.472 1.588 20 0 GDADRO C[C@@H]1C[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)C[N@@H+]1C1CC1 ZINC000824892455 608307696 /nfs/dbraw/zinc/30/76/96/608307696.db2.gz ILNJDDPFMCSVSE-UKRRQHHQSA-N 1 0 383.500 1.865 20 0 GDADRO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCN2CCOCC2)c1-c1nn[nH]n1 ZINC000826331856 608312560 /nfs/dbraw/zinc/31/25/60/608312560.db2.gz AMVZLURHMHMFEA-UHFFFAOYSA-N 1 0 382.472 1.125 20 0 GDADRO CCC[C@@H]1CN(C(=O)COc2ccccc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825252177 608313344 /nfs/dbraw/zinc/31/33/44/608313344.db2.gz HCUKWEFRJALGKB-OAHLLOKOSA-N 1 0 388.472 1.205 20 0 GDADRO O=C(C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410499 608326494 /nfs/dbraw/zinc/32/64/94/608326494.db2.gz PEURDVUVYSSTQP-SJORKVTESA-N 1 0 384.484 1.622 20 0 GDADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000824978263 608335675 /nfs/dbraw/zinc/33/56/75/608335675.db2.gz VJYGMYLEGDXLMO-XHDPSFHLSA-N 1 0 382.465 1.154 20 0 GDADRO C[C@H]1C[C@H](NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C[N@@H+]1C1CC1 ZINC000824892872 608337415 /nfs/dbraw/zinc/33/74/15/608337415.db2.gz NODUTZGUUCLHMB-GWCFXTLKSA-N 1 0 380.449 1.050 20 0 GDADRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCCOc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826359937 608376313 /nfs/dbraw/zinc/37/63/13/608376313.db2.gz SYBCOXYQZIXEKL-MJGOQNOKSA-N 1 0 397.483 1.957 20 0 GDADRO C[N@@H+]1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C(C)(C)C1 ZINC000826037729 608379433 /nfs/dbraw/zinc/37/94/33/608379433.db2.gz BJDQHGVWNMDVSR-UHFFFAOYSA-N 1 0 377.880 1.875 20 0 GDADRO O=C(CC[N@H+]1CCCN(CC(F)F)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407299 608385048 /nfs/dbraw/zinc/38/50/48/608385048.db2.gz HVUMDMMBWTZUFX-UHFFFAOYSA-N 1 0 379.415 1.468 20 0 GDADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(S(C)(=O)=O)cc1 ZINC000824598019 608429836 /nfs/dbraw/zinc/42/98/36/608429836.db2.gz ABJPQGCLWKKICR-CYBMUJFWSA-N 1 0 387.465 2.000 20 0 GDADRO COc1ccc([C@H](CCO)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826189617 608431784 /nfs/dbraw/zinc/43/17/84/608431784.db2.gz ZUXNDNFAPDPQEW-SFHVURJKSA-N 1 0 396.451 1.205 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563132 608459523 /nfs/dbraw/zinc/45/95/23/608459523.db2.gz LTDDTLPKHPXQRA-SUMWQHHRSA-N 1 0 378.436 1.637 20 0 GDADRO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccn1 ZINC000826270096 608473791 /nfs/dbraw/zinc/47/37/91/608473791.db2.gz LAJIMYICSSNDON-UHFFFAOYSA-N 1 0 392.467 1.732 20 0 GDADRO CC[C@@H](C)[C@H](NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)C(=O)OC ZINC000825059662 608530168 /nfs/dbraw/zinc/53/01/68/608530168.db2.gz ILPGAGNQKFLCQP-WBMJQRKESA-N 1 0 386.456 1.149 20 0 GDADRO O[C@@H](C[NH2+]C1(c2ccc3c(c2)OCO3)CC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826502472 608555639 /nfs/dbraw/zinc/55/56/39/608555639.db2.gz DOQHUSGAKNTJPF-HNNXBMFYSA-N 1 0 395.419 1.614 20 0 GDADRO O=C(CC[NH+]1CCN(c2ccc(F)cn2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407222 608563208 /nfs/dbraw/zinc/56/32/08/608563208.db2.gz FRIXWYRJJWMAOW-UHFFFAOYSA-N 1 0 396.430 1.552 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000826279087 608563899 /nfs/dbraw/zinc/56/38/99/608563899.db2.gz FLFQZOXTUUKZRK-UHFFFAOYSA-N 1 0 376.486 1.424 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C[C@H]1O ZINC000824985100 608587161 /nfs/dbraw/zinc/58/71/61/608587161.db2.gz ROIBFHYWCIYLPA-WCQYABFASA-N 1 0 390.513 1.838 20 0 GDADRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@@H](C)O1 ZINC000824984665 608636143 /nfs/dbraw/zinc/63/61/43/608636143.db2.gz LVZIKQOIXSFBMS-INMHGKMJSA-N 1 0 396.499 1.588 20 0 GDADRO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)n1 ZINC000826324415 608688610 /nfs/dbraw/zinc/68/86/10/608688610.db2.gz PXJJZCJHAWGQQI-HNNXBMFYSA-N 1 0 392.471 1.635 20 0 GDADRO CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000823967158 608738391 /nfs/dbraw/zinc/73/83/91/608738391.db2.gz JLQRRBVTBOJKNO-GFCCVEGCSA-N 1 0 388.457 1.243 20 0 GDADRO CCC[C@H]1CN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[N@@H+]1CCOC ZINC000825258423 608830449 /nfs/dbraw/zinc/83/04/49/608830449.db2.gz CVALZHQAMNMGRO-INIZCTEOSA-N 1 0 384.488 1.447 20 0 GDADRO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259521 609147724 /nfs/dbraw/zinc/14/77/24/609147724.db2.gz VHBDTEGTGFAFEW-AWEZNQCLSA-N 1 0 394.483 1.965 20 0 GDADRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000826153650 609153363 /nfs/dbraw/zinc/15/33/63/609153363.db2.gz VTRWUPNVJVYIBE-LBPRGKRZSA-N 1 0 376.436 1.684 20 0 GDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824875209 609198821 /nfs/dbraw/zinc/19/88/21/609198821.db2.gz JRCKSCIXYVLGIL-DAYGRLMNSA-N 1 0 386.500 1.774 20 0 GDADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826431290 609215353 /nfs/dbraw/zinc/21/53/53/609215353.db2.gz XEFASDVMNRYMCK-GOSISDBHSA-N 1 0 384.484 1.671 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000826158672 609223718 /nfs/dbraw/zinc/22/37/18/609223718.db2.gz YLETYMAASIVBOF-UHFFFAOYSA-N 1 0 398.471 1.011 20 0 GDADRO Cc1cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826256852 609228485 /nfs/dbraw/zinc/22/84/85/609228485.db2.gz CPTAINUXOGCVEB-SFHVURJKSA-N 1 0 392.467 1.527 20 0 GDADRO C[C@@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000824540073 609250131 /nfs/dbraw/zinc/25/01/31/609250131.db2.gz RIKDUQOFIBEYRL-GFCCVEGCSA-N 1 0 384.465 1.854 20 0 GDADRO C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824470460 609317675 /nfs/dbraw/zinc/31/76/75/609317675.db2.gz IGCBDMNMIPYKEL-XCRHUMRWSA-N 1 0 384.484 1.669 20 0 GDADRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCOCC1 ZINC000824426818 609334821 /nfs/dbraw/zinc/33/48/21/609334821.db2.gz JACXDHCIWSBCDY-CQSZACIVSA-N 1 0 382.472 1.078 20 0 GDADRO Cn1cc(C[NH2+]CCNC(=O)C(C)(C)C)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361731 609339096 /nfs/dbraw/zinc/33/90/96/609339096.db2.gz LWLFFCIVZXJTKJ-UHFFFAOYSA-N 1 0 382.472 1.519 20 0 GDADRO Cn1cc(C[NH2+]CC[S@](=O)C(C)(C)C)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361699 609340543 /nfs/dbraw/zinc/34/05/43/609340543.db2.gz JUSKFSBWDFGKAL-MHZLTWQESA-N 1 0 387.513 1.904 20 0 GDADRO CC(C)[N@H+](C)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000824284145 609357800 /nfs/dbraw/zinc/35/78/00/609357800.db2.gz CKAILNBKVHDBHJ-UHFFFAOYSA-N 1 0 387.423 1.653 20 0 GDADRO C[C@H](NC(=O)c1cc(-c2nn[nH]n2)cn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824515937 609448358 /nfs/dbraw/zinc/44/83/58/609448358.db2.gz UNQOCSVINQARLK-HOCLYGCPSA-N 1 0 379.468 1.846 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)CCCC1 ZINC000825850375 609538646 /nfs/dbraw/zinc/53/86/46/609538646.db2.gz PMZZFXZWUJQRPS-UHFFFAOYSA-N 1 0 384.893 1.673 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824978419 609549745 /nfs/dbraw/zinc/54/97/45/609549745.db2.gz VUZVRJKROHANQG-GWCFXTLKSA-N 1 0 384.893 1.481 20 0 GDADRO Cc1ccnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826309134 609557243 /nfs/dbraw/zinc/55/72/43/609557243.db2.gz FLJRSRPVHVHOBM-UHFFFAOYSA-N 1 0 378.484 1.829 20 0 GDADRO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826256955 609575067 /nfs/dbraw/zinc/57/50/67/609575067.db2.gz HYWQMIMHXVYJDO-KRWDZBQOSA-N 1 0 392.467 1.670 20 0 GDADRO O=C(CC[N@H+]1CCSC[C@H]1CO)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407369 609603927 /nfs/dbraw/zinc/60/39/27/609603927.db2.gz KSINIJMEJYNRNU-LLVKDONJSA-N 1 0 382.877 1.258 20 0 GDADRO O=C(CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(Br)cc1 ZINC000531003706 649984997 /nfs/dbraw/zinc/98/49/97/649984997.db2.gz MDNXSJOBWZONDE-CYBMUJFWSA-N 1 0 381.274 1.924 20 0 GDADRO CCS(=O)(=O)NCCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531005052 649985010 /nfs/dbraw/zinc/98/50/10/649985010.db2.gz HLBXYAQHMVIXPQ-HNNXBMFYSA-N 1 0 390.937 1.571 20 0 GDADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC000531494090 649992952 /nfs/dbraw/zinc/99/29/52/649992952.db2.gz NKRMSFWVSGKBPG-GFCCVEGCSA-N 1 0 385.452 1.049 20 0 GDADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2sccc2OC)c1 ZINC000531698827 649995249 /nfs/dbraw/zinc/99/52/49/649995249.db2.gz CKRVHNJPDGBWPC-NSHDSACASA-N 1 0 383.495 1.782 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000531724585 649995589 /nfs/dbraw/zinc/99/55/89/649995589.db2.gz GDEFYBJIMGXOIC-RISCZKNCSA-N 1 0 381.278 1.553 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000532196681 650018692 /nfs/dbraw/zinc/01/86/92/650018692.db2.gz CSCBYUIOKTYNGV-ZUZCIYMTSA-N 1 0 383.901 1.986 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000532740916 650031823 /nfs/dbraw/zinc/03/18/23/650031823.db2.gz OHXSHKOLGRYQLE-HUUCEWRRSA-N 1 0 388.921 1.276 20 0 GDADRO Cc1nc(C)c(S(=O)(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000532769806 650032218 /nfs/dbraw/zinc/03/22/18/650032218.db2.gz ZYTBLCUEEJYHRP-KRWDZBQOSA-N 1 0 381.523 1.675 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000533104037 650042213 /nfs/dbraw/zinc/04/22/13/650042213.db2.gz RFNUDANOVWSZMM-JTQLQIEISA-N 1 0 392.934 1.216 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)S(C)(=O)=O ZINC000533129862 650042823 /nfs/dbraw/zinc/04/28/23/650042823.db2.gz RKNQNQNOCJSKQP-AWEZNQCLSA-N 1 0 390.933 1.574 20 0 GDADRO C[NH+]1CCN(CCNC(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000533924054 650216497 /nfs/dbraw/zinc/21/64/97/650216497.db2.gz OIKCSWZMOBJFQI-UHFFFAOYSA-N 1 0 377.286 1.975 20 0 GDADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000535049720 650239528 /nfs/dbraw/zinc/23/95/28/650239528.db2.gz LPLKQDRMFIEGPA-UHFFFAOYSA-N 1 0 380.495 1.551 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000536147850 650265717 /nfs/dbraw/zinc/26/57/17/650265717.db2.gz JQVLXFHQIGHZAK-UHFFFAOYSA-N 1 0 385.486 1.739 20 0 GDADRO CS[C@@H]1CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C[C@H]1[NH+](C)C ZINC000539477327 650335506 /nfs/dbraw/zinc/33/55/06/650335506.db2.gz AFJBVXAMJUCXTN-HUUCEWRRSA-N 1 0 389.518 1.145 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCC1 ZINC000539555286 650337638 /nfs/dbraw/zinc/33/76/38/650337638.db2.gz QLXFWHPQWWEXRB-UHFFFAOYSA-N 1 0 390.303 1.311 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cn1)c1ccsc1 ZINC000539927527 650344144 /nfs/dbraw/zinc/34/41/44/650344144.db2.gz FPBKEZYFTUUIPQ-OAHLLOKOSA-N 1 0 382.511 1.603 20 0 GDADRO O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000540164264 650350902 /nfs/dbraw/zinc/35/09/02/650350902.db2.gz PZCQVYGFUBOCNN-CQSZACIVSA-N 1 0 386.901 1.348 20 0 GDADRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000540864520 650372103 /nfs/dbraw/zinc/37/21/03/650372103.db2.gz JVFDHSCXFURYMR-UHFFFAOYSA-N 1 0 381.420 1.985 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000541317598 650381748 /nfs/dbraw/zinc/38/17/48/650381748.db2.gz CZVCFZWFOHQHKU-CVEARBPZSA-N 1 0 375.535 1.096 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000542747271 650411646 /nfs/dbraw/zinc/41/16/46/650411646.db2.gz YXOGDJODWZMTSX-CYBMUJFWSA-N 1 0 386.539 1.367 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNc2ncc(Br)cc2S(N)(=O)=O)C1 ZINC000543722666 650429167 /nfs/dbraw/zinc/42/91/67/650429167.db2.gz VBTSYNMGNMOOQA-SNVBAGLBSA-N 1 0 377.308 1.634 20 0 GDADRO CN(C)S(=O)(=O)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000544222097 650435913 /nfs/dbraw/zinc/43/59/13/650435913.db2.gz GSSUQAYNVQBKFC-UHFFFAOYSA-N 1 0 387.933 1.656 20 0 GDADRO COC[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000544411232 650439557 /nfs/dbraw/zinc/43/95/57/650439557.db2.gz VXLKTCZFNBXKNF-HOCLYGCPSA-N 1 0 388.555 1.524 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)C[C@H]1[NH+]1CCCC1 ZINC000544686920 650444175 /nfs/dbraw/zinc/44/41/75/650444175.db2.gz JRGBKZYMZIOXDT-QLFBSQMISA-N 1 0 385.599 1.972 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC[NH+]3CCC3)nc12 ZINC000544817448 650446226 /nfs/dbraw/zinc/44/62/26/650446226.db2.gz SVJNSAMXEYZPTO-UHFFFAOYSA-N 1 0 380.290 1.953 20 0 GDADRO COc1cc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc(OC)c1Br ZINC000545168452 650450166 /nfs/dbraw/zinc/45/01/66/650450166.db2.gz BTIFUHZIHKXWRC-HNNXBMFYSA-N 1 0 388.262 1.654 20 0 GDADRO CC1CC[NH+](C[C@H](O)CNc2ncc(I)cn2)CC1 ZINC000545916434 650466097 /nfs/dbraw/zinc/46/60/97/650466097.db2.gz IEIGOBZRDLXUEZ-GFCCVEGCSA-N 1 0 376.242 1.586 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)Nc2ccncc2I)CC1 ZINC000546584347 650479699 /nfs/dbraw/zinc/47/96/99/650479699.db2.gz KELXTOURTVPYEB-UHFFFAOYSA-N 1 0 386.237 1.882 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(Br)c1 ZINC000546587788 650480196 /nfs/dbraw/zinc/48/01/96/650480196.db2.gz RRSGPJGEWPZJGR-MRXNPFEDSA-N 1 0 384.274 1.187 20 0 GDADRO O=C1N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1Cc1nnsc1Cl ZINC000546635816 650481977 /nfs/dbraw/zinc/48/19/77/650481977.db2.gz XSXAICADCHCMAR-MRXNPFEDSA-N 1 0 377.857 1.888 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000547277753 650493958 /nfs/dbraw/zinc/49/39/58/650493958.db2.gz YWJMJVBVLCCSPC-AWEZNQCLSA-N 1 0 380.798 1.739 20 0 GDADRO C[N@H+](CC(=O)NCc1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCSC1 ZINC000547320431 650495035 /nfs/dbraw/zinc/49/50/35/650495035.db2.gz PNOWWMOOUUIECG-MRXNPFEDSA-N 1 0 383.539 1.280 20 0 GDADRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000548044404 650529125 /nfs/dbraw/zinc/52/91/25/650529125.db2.gz GFBVNQORBCGQOY-UHFFFAOYSA-N 1 0 383.495 1.505 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)cc1F ZINC000548370430 650544418 /nfs/dbraw/zinc/54/44/18/650544418.db2.gz WFIFYEUOYKJRFP-LBPRGKRZSA-N 1 0 393.506 1.350 20 0 GDADRO CS[C@@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)C[C@H]1[NH+]1CCCC1 ZINC000548516689 650547701 /nfs/dbraw/zinc/54/77/01/650547701.db2.gz PCHHNMZCYXFRIN-HZPDHXFCSA-N 1 0 389.587 1.230 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)N2CCc3c(Br)cccc3C2)CC1 ZINC000550044364 650587927 /nfs/dbraw/zinc/58/79/27/650587927.db2.gz LHVAVXDJPPIXIY-UHFFFAOYSA-N 1 0 394.313 1.934 20 0 GDADRO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000550631472 650595588 /nfs/dbraw/zinc/59/55/88/650595588.db2.gz QSEOJVZUIBCRPU-UHFFFAOYSA-N 1 0 376.404 1.955 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1OC ZINC000551513210 650608387 /nfs/dbraw/zinc/60/83/87/650608387.db2.gz QDPMVLGIYNKOKG-ZYHUDNBSSA-N 1 0 390.889 1.896 20 0 GDADRO CN1CCN([C@H](C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c2cccs2)CC1 ZINC000552072216 650618726 /nfs/dbraw/zinc/61/87/26/650618726.db2.gz LSZAPXLFQHOZGJ-GVDBMIGSSA-N 1 0 385.599 1.982 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(Cl)sc2Cl)CC1=O ZINC000552112224 650619881 /nfs/dbraw/zinc/61/98/81/650619881.db2.gz SNEFNEBSOZKGPS-JTQLQIEISA-N 1 0 394.324 1.964 20 0 GDADRO CC[C@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)[NH+](C)C ZINC000552933518 650634967 /nfs/dbraw/zinc/63/49/67/650634967.db2.gz SQYOTPSNHQASKN-LLVKDONJSA-N 1 0 382.313 1.728 20 0 GDADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N(C)C)C[C@@H](C)C1 ZINC000553784145 650657282 /nfs/dbraw/zinc/65/72/82/650657282.db2.gz MXRGDLMQKQQYPH-BFHYXJOUSA-N 1 0 385.555 1.801 20 0 GDADRO CC1CC[NH+](CCCCNS(=O)(=O)CC2CCS(=O)(=O)CC2)CC1 ZINC000553787351 650657502 /nfs/dbraw/zinc/65/75/02/650657502.db2.gz NYJSWLRZYJVOGS-UHFFFAOYSA-N 1 0 380.576 1.243 20 0 GDADRO O=C(NCc1ccsc1Br)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000554492413 650676373 /nfs/dbraw/zinc/67/63/73/650676373.db2.gz OHFYPSMUYCJXCK-LBPRGKRZSA-N 1 0 386.315 1.824 20 0 GDADRO O=C(C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)Nc1cccc(Br)c1 ZINC000554490907 650676293 /nfs/dbraw/zinc/67/62/93/650676293.db2.gz LAYGTBIUKFJKLB-UHFFFAOYSA-N 1 0 395.257 1.498 20 0 GDADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cn(C)nc2C(F)(F)F)CCCO1 ZINC000555342666 650689236 /nfs/dbraw/zinc/68/92/36/650689236.db2.gz GZZNUZFPOKKSCE-NSHDSACASA-N 1 0 384.424 1.218 20 0 GDADRO C[C@H](NC1CC[NH+](CCN2CCOCC2)CC1)c1ncc(Br)cn1 ZINC000556202327 650700008 /nfs/dbraw/zinc/70/00/08/650700008.db2.gz QJSRQLUFGUJZEG-AWEZNQCLSA-N 1 0 398.349 1.686 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000556340980 650702794 /nfs/dbraw/zinc/70/27/94/650702794.db2.gz IBCVIXWPFSQHSE-UHFFFAOYSA-N 1 0 378.878 1.755 20 0 GDADRO C[NH+]1CCN(C[C@H](NS(=O)(=O)CCC(F)(F)F)c2ccccc2)CC1 ZINC000556369506 650703705 /nfs/dbraw/zinc/70/37/05/650703705.db2.gz SEAFERXITSLLLN-HNNXBMFYSA-N 1 0 379.448 1.847 20 0 GDADRO CC(=O)NC1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)CC1 ZINC000556921309 650715205 /nfs/dbraw/zinc/71/52/05/650715205.db2.gz WMFSAXAVBPKHHL-UHFFFAOYSA-N 1 0 387.933 1.964 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000556967804 650715420 /nfs/dbraw/zinc/71/54/20/650715420.db2.gz QWRVVNDDTZLNAF-UHFFFAOYSA-N 1 0 386.290 1.677 20 0 GDADRO C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000557288574 650722561 /nfs/dbraw/zinc/72/25/61/650722561.db2.gz DYRJLXOGTYRVJX-RYUDHWBXSA-N 1 0 387.311 1.314 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000557357070 650723696 /nfs/dbraw/zinc/72/36/96/650723696.db2.gz RKRGMSCCPMTWAB-WCQYABFASA-N 1 0 398.301 1.673 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCc2cc(Br)ccc2C1)[N@H+](C)C1CC1 ZINC000557560619 650728550 /nfs/dbraw/zinc/72/85/50/650728550.db2.gz CHARMMURLBDQLQ-GFCCVEGCSA-N 1 0 394.313 1.933 20 0 GDADRO Cn1cc(Br)c(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)n1 ZINC000559396241 650732923 /nfs/dbraw/zinc/73/29/23/650732923.db2.gz GCISYIAJOUQTFN-UHFFFAOYSA-N 1 0 389.294 1.528 20 0 GDADRO C[C@H]([NH3+])CCNS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000563624140 650737394 /nfs/dbraw/zinc/73/73/94/650737394.db2.gz OAULEBANWJLDKR-VIFPVBQESA-N 1 0 398.312 1.476 20 0 GDADRO CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000563712365 650738040 /nfs/dbraw/zinc/73/80/40/650738040.db2.gz FGJLKXGYEUPAIZ-ZDUSSCGKSA-N 1 0 375.441 1.947 20 0 GDADRO CC(C)[N@@H+]1CCCN(C(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000563792602 650740066 /nfs/dbraw/zinc/74/00/66/650740066.db2.gz LWCCDSBLVCGCEO-UHFFFAOYSA-N 1 0 385.306 1.737 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1)N1CCSCC1 ZINC000563881603 650741835 /nfs/dbraw/zinc/74/18/35/650741835.db2.gz LKLAQEFSIVJHKU-AWEZNQCLSA-N 1 0 394.946 1.048 20 0 GDADRO COc1cc(F)c(Br)cc1S(=O)(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000563899246 650742782 /nfs/dbraw/zinc/74/27/82/650742782.db2.gz RSLPKMIZACXCFS-VIFPVBQESA-N 1 0 397.266 1.335 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000564193125 650751580 /nfs/dbraw/zinc/75/15/80/650751580.db2.gz XTKGRXKUGMKOQZ-QPKOPYBWSA-N 1 0 380.286 1.678 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000564083147 650747759 /nfs/dbraw/zinc/74/77/59/650747759.db2.gz AUIPITXMZRSUBC-BDAKNGLRSA-N 1 0 379.276 1.640 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000564486776 650759229 /nfs/dbraw/zinc/75/92/29/650759229.db2.gz IYGWZAPNAXKTSP-OAHLLOKOSA-N 1 0 387.933 1.951 20 0 GDADRO Cc1ncc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(Cl)c1Cl ZINC000564450783 650758365 /nfs/dbraw/zinc/75/83/65/650758365.db2.gz ZNLMJKCJCREIKY-GFCCVEGCSA-N 1 0 385.295 1.981 20 0 GDADRO O[C@H](C[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl)CN1CCOCC1 ZINC000564722923 650765499 /nfs/dbraw/zinc/76/54/99/650765499.db2.gz YBXDAQJAMHAITA-GFCCVEGCSA-N 1 0 382.814 1.448 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000564732385 650765960 /nfs/dbraw/zinc/76/59/60/650765960.db2.gz RGJBPMYKNOZJEX-UHFFFAOYSA-N 1 0 388.965 1.493 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000564790228 650767671 /nfs/dbraw/zinc/76/76/71/650767671.db2.gz SWIAKPVFEAHNIO-INIZCTEOSA-N 1 0 390.933 1.858 20 0 GDADRO CO[C@H](C[NH3+])CC(=O)NCc1cc(Cl)cc(I)c1 ZINC000564942933 650773879 /nfs/dbraw/zinc/77/38/79/650773879.db2.gz QVBQGXIICZTMSD-NSHDSACASA-N 1 0 382.629 1.925 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1F ZINC000564996358 650776165 /nfs/dbraw/zinc/77/61/65/650776165.db2.gz FZHKDGZBYXBOAK-TZMCWYRMSA-N 1 0 391.534 1.340 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000565006446 650776236 /nfs/dbraw/zinc/77/62/36/650776236.db2.gz XXOKPFFDDBGCTK-VHSXEESVSA-N 1 0 382.258 1.677 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565247299 650789448 /nfs/dbraw/zinc/78/94/48/650789448.db2.gz YRCGJHICERQTQX-MWLCHTKSSA-N 1 0 385.237 1.672 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565255400 650789666 /nfs/dbraw/zinc/78/96/66/650789666.db2.gz SGHKTDRYEBQNRW-OSAQELSMSA-N 1 0 395.301 1.334 20 0 GDADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC[C@H](O)C(F)(F)F)CC1 ZINC000565331210 650792384 /nfs/dbraw/zinc/79/23/84/650792384.db2.gz FLKLAFUMHHATMK-LBPRGKRZSA-N 1 0 384.424 1.083 20 0 GDADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)CC1 ZINC000565362854 650793382 /nfs/dbraw/zinc/79/33/82/650793382.db2.gz PTNHUQLCDAEGPW-UHFFFAOYSA-N 1 0 376.862 1.508 20 0 GDADRO O=C(NCc1cc(F)ccc1Br)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000565418948 650795931 /nfs/dbraw/zinc/79/59/31/650795931.db2.gz CSKGSKYKDPJBNU-LBPRGKRZSA-N 1 0 382.237 1.862 20 0 GDADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000565434883 650796948 /nfs/dbraw/zinc/79/69/48/650796948.db2.gz XOYWDIKCRWQZEG-XIRDDKMYSA-N 1 0 399.329 1.778 20 0 GDADRO C[N@H+](C[C@@H](O)CNCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C1CC1 ZINC000565475893 650798670 /nfs/dbraw/zinc/79/86/70/650798670.db2.gz DXECWXJYPIPLNM-ZDUSSCGKSA-N 1 0 380.432 1.654 20 0 GDADRO CN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000565599539 650805067 /nfs/dbraw/zinc/80/50/67/650805067.db2.gz PGCNZAMPGLTFIM-UHFFFAOYSA-N 1 0 399.822 1.585 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000565785158 650813777 /nfs/dbraw/zinc/81/37/77/650813777.db2.gz PGBYAUSDISCAOW-ZDUSSCGKSA-N 1 0 380.286 1.727 20 0 GDADRO OCC(CO)[NH2+]CCCOc1c(Br)cccc1Br ZINC000565959737 650823104 /nfs/dbraw/zinc/82/31/04/650823104.db2.gz SOBKDUVMLXHHOI-UHFFFAOYSA-N 1 0 383.080 1.923 20 0 GDADRO CC(C)COC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000566130281 650829301 /nfs/dbraw/zinc/82/93/01/650829301.db2.gz OGEBQZXCFKGWET-LBPRGKRZSA-N 1 0 399.340 1.895 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000566132759 650829505 /nfs/dbraw/zinc/82/95/05/650829505.db2.gz YQXMRXWHIPVOJG-MRXNPFEDSA-N 1 0 390.571 1.665 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2c(Br)ccc(F)c2C1 ZINC000566197429 650834252 /nfs/dbraw/zinc/83/42/52/650834252.db2.gz DAGFRQQKCDJAKI-HNNXBMFYSA-N 1 0 398.276 1.731 20 0 GDADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc(I)cc1 ZINC000566200940 650834596 /nfs/dbraw/zinc/83/45/96/650834596.db2.gz LDEXGVFYLNYFCG-UHFFFAOYSA-N 1 0 398.208 1.071 20 0 GDADRO [NH3+]CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(F)F ZINC000566213826 650835313 /nfs/dbraw/zinc/83/53/13/650835313.db2.gz JRXLJQXNHMCJMM-JSGCOSHPSA-N 1 0 375.441 1.186 20 0 GDADRO C[C@@H](CCC[NH3+])NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000566223388 650835538 /nfs/dbraw/zinc/83/55/38/650835538.db2.gz MAMGVGBCPQNPMZ-BBRMVZONSA-N 1 0 387.933 1.991 20 0 GDADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NC[C@H]1C[NH2+]CCCO1 ZINC000566223912 650836083 /nfs/dbraw/zinc/83/60/83/650836083.db2.gz OLFJSSZMBLHLLP-GFCCVEGCSA-N 1 0 397.722 1.900 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCCc2ccccc2OC(F)F)CC[NH2+]CC1 ZINC000566251793 650837534 /nfs/dbraw/zinc/83/75/34/650837534.db2.gz WQKLFAGEZIZUFK-UHFFFAOYSA-N 1 0 376.425 1.114 20 0 GDADRO CC(=O)NCC[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000566412803 650844770 /nfs/dbraw/zinc/84/47/70/650844770.db2.gz LERZSLQPVZSXBG-GFCCVEGCSA-N 1 0 377.750 1.716 20 0 GDADRO C[C@H]1CN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[N@@H+]1CC(C)(C)O ZINC000566301747 650840273 /nfs/dbraw/zinc/84/02/73/650840273.db2.gz UZKHOMNQQMLYRY-LBPRGKRZSA-N 1 0 375.922 1.264 20 0 GDADRO COC(=O)CC1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000566308881 650840676 /nfs/dbraw/zinc/84/06/76/650840676.db2.gz KWBPMAAAMCDIDI-UHFFFAOYSA-N 1 0 376.272 1.908 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000566452060 650846431 /nfs/dbraw/zinc/84/64/31/650846431.db2.gz WBYMHQGRWBFCDO-ARFHVFGLSA-N 1 0 389.587 1.181 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(I)cc1F ZINC000566506019 650852999 /nfs/dbraw/zinc/85/29/99/650852999.db2.gz WIBOECOJRVVGBY-QMMMGPOBSA-N 1 0 379.173 1.222 20 0 GDADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCc2c(Br)cccc2C1 ZINC000566617917 650859640 /nfs/dbraw/zinc/85/96/40/650859640.db2.gz OTETUQCMAOFDFE-OAHLLOKOSA-N 1 0 380.286 1.592 20 0 GDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566676768 650863211 /nfs/dbraw/zinc/86/32/11/650863211.db2.gz DSGQBUCCRNEDDJ-QMTHXVAHSA-N 1 0 386.265 1.504 20 0 GDADRO Cn1cc(C[C@@H](CO)C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cn1 ZINC000566856326 650870299 /nfs/dbraw/zinc/87/02/99/650870299.db2.gz YXGSQOSHELEWHX-ZBFHGGJFSA-N 1 0 398.301 1.363 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000566796809 650867036 /nfs/dbraw/zinc/86/70/36/650867036.db2.gz JYRMXHDWBBHLGA-JQWIXIFHSA-N 1 0 379.404 1.193 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)C[C@H]2C1 ZINC000567169307 650890110 /nfs/dbraw/zinc/89/01/10/650890110.db2.gz LVFUUUNBORMTRN-PHIMTYICSA-N 1 0 392.308 1.292 20 0 GDADRO CS(=O)(=O)NCCc1ccc(-c2csc(NC3CC[NH2+]CC3)n2)cc1 ZINC000567475422 650906548 /nfs/dbraw/zinc/90/65/48/650906548.db2.gz JXIFIYJYLKZJFE-UHFFFAOYSA-N 1 0 380.539 2.066 20 0 GDADRO O=C(Cc1cc2c(cc1Br)OCCO2)NC[C@@H]1C[NH2+]CCCO1 ZINC000567649678 650912358 /nfs/dbraw/zinc/91/23/58/650912358.db2.gz NZRXKTXMFAAEGB-LBPRGKRZSA-N 1 0 385.258 1.258 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000567667474 650913454 /nfs/dbraw/zinc/91/34/54/650913454.db2.gz OUQJMCCWTAUADZ-CYBMUJFWSA-N 1 0 389.315 1.823 20 0 GDADRO C[C@H]1COCCN1CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567679207 650914809 /nfs/dbraw/zinc/91/48/09/650914809.db2.gz PEYLCHWVWOQJFM-ZDUSSCGKSA-N 1 0 391.331 1.533 20 0 GDADRO C[C@@H](OC[C@H](O)C[NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000567687872 650914816 /nfs/dbraw/zinc/91/48/16/650914816.db2.gz DRPHUEDUIAIVAR-KBRIMQKVSA-N 1 0 390.933 1.792 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnc(OC)c(Br)c3)[C@H]2C1 ZINC000567698825 650915418 /nfs/dbraw/zinc/91/54/18/650915418.db2.gz RTLYOVBINJFEIX-UONOGXRCSA-N 1 0 384.274 1.788 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000567861555 650924487 /nfs/dbraw/zinc/92/44/87/650924487.db2.gz CGCJLEVLURLXFY-UHNVWZDZSA-N 1 0 398.666 1.963 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000567861795 650924791 /nfs/dbraw/zinc/92/47/91/650924791.db2.gz ZPSOTPFOQPLFFO-GXTWGEPZSA-N 1 0 386.880 1.884 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000567899271 650927572 /nfs/dbraw/zinc/92/75/72/650927572.db2.gz WCDHNJASMLRQCR-BDAKNGLRSA-N 1 0 375.210 1.472 20 0 GDADRO CCS(=O)(=O)Nc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1OC ZINC000063150142 644519609 /nfs/dbraw/zinc/51/96/09/644519609.db2.gz KRWAMRLJASFSHY-UHFFFAOYSA-N 1 0 386.543 1.837 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000567912780 650929077 /nfs/dbraw/zinc/92/90/77/650929077.db2.gz UZJDICHKHPYSBV-LLVKDONJSA-N 1 0 377.557 1.343 20 0 GDADRO C[N@H+](CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1CC1 ZINC000066924413 644550291 /nfs/dbraw/zinc/55/02/91/644550291.db2.gz CTIAPQHQUMOUOT-UHFFFAOYSA-N 1 0 385.917 1.949 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000069180810 644575920 /nfs/dbraw/zinc/57/59/20/644575920.db2.gz FYCKDXWSVPZKEM-UHFFFAOYSA-N 1 0 392.319 1.414 20 0 GDADRO C[NH+]=C(NCCCNC(=O)c1cc(OC)ccc1Br)NC1CC1 ZINC000069672885 644581199 /nfs/dbraw/zinc/58/11/99/644581199.db2.gz VZRCHXACEGTZSH-UHFFFAOYSA-N 1 0 383.290 1.905 20 0 GDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCn1cc(Br)ccc1=O ZINC000568043075 650934999 /nfs/dbraw/zinc/93/49/99/650934999.db2.gz NYZRBJWADGBPTQ-CYBMUJFWSA-N 1 0 399.333 1.983 20 0 GDADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000118721759 644654078 /nfs/dbraw/zinc/65/40/78/644654078.db2.gz FZIPWACXVZGGRH-UHFFFAOYSA-N 1 0 376.425 1.260 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000568216796 650941355 /nfs/dbraw/zinc/94/13/55/650941355.db2.gz BXSGADSGARLFGE-JYJNAYRXSA-N 1 0 389.587 1.038 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNc1nnc(-c2cc(Br)ccc2F)s1 ZINC000568235911 650942404 /nfs/dbraw/zinc/94/24/04/650942404.db2.gz MRVXFNARPBMDFL-JTQLQIEISA-N 1 0 386.294 2.422 20 0 GDADRO Cn1cnc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1Cl ZINC000127522693 644726874 /nfs/dbraw/zinc/72/68/74/644726874.db2.gz CRXOHWPRUNBFLP-QWHCGFSZSA-N 1 0 376.910 1.120 20 0 GDADRO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Br)n1 ZINC000128074536 644728276 /nfs/dbraw/zinc/72/82/76/644728276.db2.gz LFMOJAHZZKSBNH-GFCCVEGCSA-N 1 0 383.290 1.470 20 0 GDADRO Cc1cc(OC[C@@H](O)C[NH2+]CCNS(C)(=O)=O)c(C(C)C)cc1Cl ZINC000568254679 650946192 /nfs/dbraw/zinc/94/61/92/650946192.db2.gz HWYCDGAUGGILKB-ZDUSSCGKSA-N 1 0 378.922 1.650 20 0 GDADRO CC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000130540878 644739859 /nfs/dbraw/zinc/73/98/59/644739859.db2.gz INOUTDPKHZUVQX-CYBMUJFWSA-N 1 0 376.429 1.037 20 0 GDADRO [NH3+][C@H]1C[C@@H]2CN(c3ccc4cc(Br)c(F)cc4n3)CCN2C1=O ZINC000568257259 650948225 /nfs/dbraw/zinc/94/82/25/650948225.db2.gz HIJMNWCYNQGWCW-MFKMUULPSA-N 1 0 379.233 1.885 20 0 GDADRO OC[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000568268815 650949724 /nfs/dbraw/zinc/94/97/24/650949724.db2.gz KNQWZPAECUMSKI-KGLIPLIRSA-N 1 0 379.284 1.016 20 0 GDADRO OC[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000568268817 650949791 /nfs/dbraw/zinc/94/97/91/650949791.db2.gz KNQWZPAECUMSKI-ZIAGYGMSSA-N 1 0 379.284 1.016 20 0 GDADRO NS(=O)(=O)c1ccc(CCN2CCn3c(nnc3C(F)(F)F)C2)cc1 ZINC000150955579 644777015 /nfs/dbraw/zinc/77/70/15/644777015.db2.gz CTOWGSLBCPORFU-UHFFFAOYSA-N 1 0 375.376 1.003 20 0 GDADRO C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)c1cc2c(cc1Br)OCCO2 ZINC000568286986 650950990 /nfs/dbraw/zinc/95/09/90/650950990.db2.gz MMOOIRVFIMGDSN-SECBINFHSA-N 1 0 396.245 1.262 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000568288467 650951026 /nfs/dbraw/zinc/95/10/26/650951026.db2.gz VIVCAAQBOBJSKR-JOYOIKCWSA-N 1 0 380.388 1.992 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@@H](C)C[NH2+]1 ZINC000156175671 644818347 /nfs/dbraw/zinc/81/83/47/644818347.db2.gz UEXXWSPUCSXBLS-IUCAKERBSA-N 1 0 378.248 1.728 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NNc2ccc(Br)cc2F)CC1=O ZINC000156678318 644822946 /nfs/dbraw/zinc/82/29/46/644822946.db2.gz WVZKIDBKYQKMPF-JTQLQIEISA-N 1 0 387.253 1.441 20 0 GDADRO C[NH+](C)C1CN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)C1 ZINC000158453017 644835391 /nfs/dbraw/zinc/83/53/91/644835391.db2.gz BVLQHUKYSNCESD-UHFFFAOYSA-N 1 0 392.308 1.820 20 0 GDADRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000163544940 644860742 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C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cc(Br)nn2C)CC1 ZINC000192004477 645034874 /nfs/dbraw/zinc/03/48/74/645034874.db2.gz LSTKWIQCWQIZOV-OKILXGFUSA-N 1 0 398.349 1.813 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c(Br)o1 ZINC000193374582 645049788 /nfs/dbraw/zinc/04/97/88/645049788.db2.gz PXRXUPQZUJXADT-UHFFFAOYSA-N 1 0 395.275 1.497 20 0 GDADRO O=[N+]([O-])c1cc(S(=O)(=O)NCC2=CC[NH2+]CC2)ccc1Br ZINC000193387100 645050466 /nfs/dbraw/zinc/05/04/66/645050466.db2.gz OELGBSJQSDTSAG-UHFFFAOYSA-N 1 0 376.232 1.555 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1Br ZINC000193419168 645051461 /nfs/dbraw/zinc/05/14/61/645051461.db2.gz PCNKJPTXBQPUTC-OTYXRUKQSA-N 1 0 375.288 1.928 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000237073544 645082473 /nfs/dbraw/zinc/08/24/73/645082473.db2.gz NCUVDIFCCQGBPE-GWCFXTLKSA-N 1 0 376.320 1.921 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCC([NH3+])CC2)ccc1Br ZINC000237190455 645083167 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CS(=O)(=O)c1ccc(CNC(=O)N2CCC[NH2+]CC2)cc1C(F)(F)F ZINC000418095369 645908957 /nfs/dbraw/zinc/90/89/57/645908957.db2.gz VRXWYNHWFFOJOV-UHFFFAOYSA-N 1 0 379.404 1.614 20 0 GDADRO CC1(NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]CC1 ZINC000418096980 645909390 /nfs/dbraw/zinc/90/93/90/645909390.db2.gz XZRWRGUAVQOGGW-CQSZACIVSA-N 1 0 395.301 1.996 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000419071219 645911014 /nfs/dbraw/zinc/91/10/14/645911014.db2.gz WKZIAPLFLUNBHP-LLVKDONJSA-N 1 0 387.267 1.068 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000419067717 645911117 /nfs/dbraw/zinc/91/11/17/645911117.db2.gz RYXLPQPCTVQITP-LBPRGKRZSA-N 1 0 387.267 1.070 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419072916 645912006 /nfs/dbraw/zinc/91/20/06/645912006.db2.gz LYBJZBXGVQIWOS-STQMWFEESA-N 1 0 397.317 1.197 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CCCC2)C1 ZINC000419373727 645914514 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GDADRO COc1ccc(CNC(=O)C(=O)NCC2=CC[NH2+]CC2)cc1Br ZINC000419439436 645918293 /nfs/dbraw/zinc/91/82/93/645918293.db2.gz JJGBLISFERDXAO-UHFFFAOYSA-N 1 0 382.258 1.110 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419462648 645919131 /nfs/dbraw/zinc/91/91/31/645919131.db2.gz NHKZPNGNXUVNQC-ZDUSSCGKSA-N 1 0 394.313 1.807 20 0 GDADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000419461812 645919240 /nfs/dbraw/zinc/91/92/40/645919240.db2.gz IMNVFODMCSSABR-QWRGUYRKSA-N 1 0 380.436 1.801 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000419528996 645923387 /nfs/dbraw/zinc/92/33/87/645923387.db2.gz XGOAATTUHBNMMQ-AWEZNQCLSA-N 1 0 384.318 1.942 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccccc2Br)C1 ZINC000419605949 645924026 /nfs/dbraw/zinc/92/40/26/645924026.db2.gz FGINEVYDWYJXEW-NWDGAFQWSA-N 1 0 384.274 1.153 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)Oc1ccccc1Br ZINC000419606944 645924040 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CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)s1 ZINC000422936857 646101429 /nfs/dbraw/zinc/10/14/29/646101429.db2.gz NBYGZLNZVOHTQY-WBVHZDCISA-N 1 0 387.571 1.635 20 0 GDADRO O=C(NCc1ccc(F)cc1Br)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422953115 646102679 /nfs/dbraw/zinc/10/26/79/646102679.db2.gz DFIVZAZSPHBHHZ-UHFFFAOYSA-N 1 0 384.249 1.559 20 0 GDADRO O=C(NCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1)c1cccc(Br)c1 ZINC000422954446 646103290 /nfs/dbraw/zinc/10/32/90/646103290.db2.gz ISTRCZSGSIPRHF-HZPDHXFCSA-N 1 0 382.302 1.536 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000422988159 646105507 /nfs/dbraw/zinc/10/55/07/646105507.db2.gz ILAQCZNMAHTKKW-OKILXGFUSA-N 1 0 380.286 1.760 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000422993292 646106182 /nfs/dbraw/zinc/10/61/82/646106182.db2.gz FGRANGWLOZVOTJ-ZFWWWQNUSA-N 1 0 380.286 1.618 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000422995900 646106884 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GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC2)c(C)s1 ZINC000423096742 646112880 /nfs/dbraw/zinc/11/28/80/646112880.db2.gz PSBDIPFRHAHLKY-CZUORRHYSA-N 1 0 387.571 1.817 20 0 GDADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423125688 646115879 /nfs/dbraw/zinc/11/58/79/646115879.db2.gz NYOSMIHZLDONLE-AWEZNQCLSA-N 1 0 398.301 1.374 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000423172186 646117124 /nfs/dbraw/zinc/11/71/24/646117124.db2.gz RSVDSFBWXXYQTR-DOMZBBRYSA-N 1 0 380.286 1.920 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000423175577 646117829 /nfs/dbraw/zinc/11/78/29/646117829.db2.gz DXEBAUGRDQFYRZ-CABCVRRESA-N 1 0 396.285 1.169 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 ZINC000423188186 646118722 /nfs/dbraw/zinc/11/87/22/646118722.db2.gz LKDUJSQKKQGTHK-YPMHNXCESA-N 1 0 385.452 1.189 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Br)ccc2F)C1 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20 0 GDADRO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765866 653498499 /nfs/dbraw/zinc/49/84/99/653498499.db2.gz HUMYZFVROORREW-DYVFJYSZSA-N 1 0 383.539 1.333 20 0 GDADRO O=C(NCC[NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccc(Br)cn1 ZINC000634985809 653503699 /nfs/dbraw/zinc/50/36/99/653503699.db2.gz DFMWKCGIWZWEIJ-GFCCVEGCSA-N 1 0 390.303 1.131 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)C1 ZINC000635634806 653521119 /nfs/dbraw/zinc/52/11/19/653521119.db2.gz CJNQCSWVDOIAGE-MJBXVCDLSA-N 1 0 382.448 1.400 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1cc(F)c(Br)cc1F ZINC000637426145 653528560 /nfs/dbraw/zinc/52/85/60/653528560.db2.gz XTUXFBNYQFLLBU-JTQLQIEISA-N 1 0 378.217 1.593 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637990384 653534259 /nfs/dbraw/zinc/53/42/59/653534259.db2.gz VTGRZGLRIRCVKS-DZGCQCFKSA-N 1 0 384.274 1.030 20 0 GDADRO [NH3+]Cc1ncc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)cn1 ZINC000638053098 653535016 /nfs/dbraw/zinc/53/50/16/653535016.db2.gz QKFRALBMKABFGW-UHFFFAOYSA-N 1 0 396.314 1.717 20 0 GDADRO Cc1ccc([C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)N2CCOCC2)o1 ZINC000638313628 653538114 /nfs/dbraw/zinc/53/81/14/653538114.db2.gz CBRNTPSBGTVLNQ-AWEZNQCLSA-N 1 0 385.511 1.460 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000638559506 653539944 /nfs/dbraw/zinc/53/99/44/653539944.db2.gz FENGFINDRKWPKN-FGWVZKOKSA-N 1 0 382.258 1.284 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000638589381 653540902 /nfs/dbraw/zinc/54/09/02/653540902.db2.gz TYMXOPHJGQKTJJ-UHFFFAOYSA-N 1 0 386.290 1.263 20 0 GDADRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000638594583 653540969 /nfs/dbraw/zinc/54/09/69/653540969.db2.gz JQPFFOCDOIOPAP-HIFRSBDPSA-N 1 0 375.560 1.622 20 0 GDADRO COC[C@]1(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]C1 ZINC000638595834 653541381 /nfs/dbraw/zinc/54/13/81/653541381.db2.gz KLGZWAWAQQYGDA-YOEHRIQHSA-N 1 0 396.285 1.297 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000638643285 653541592 /nfs/dbraw/zinc/54/15/92/653541592.db2.gz JHPHBWJBSWOYKL-ZJUUUORDSA-N 1 0 380.297 1.528 20 0 GDADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCCOCCC[NH3+] ZINC000638656369 653542244 /nfs/dbraw/zinc/54/22/44/653542244.db2.gz CVIFFPIHTQHBDR-VIFPVBQESA-N 1 0 378.292 1.111 20 0 GDADRO CO[C@@]1(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCOC1 ZINC000638701711 653542410 /nfs/dbraw/zinc/54/24/10/653542410.db2.gz UJFTZQXJYJSPPC-QGZVFWFLSA-N 1 0 388.555 1.860 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000638764366 653543023 /nfs/dbraw/zinc/54/30/23/653543023.db2.gz BSWOXSURKQRHLP-QPUJVOFHSA-N 1 0 399.822 1.504 20 0 GDADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638774439 653543437 /nfs/dbraw/zinc/54/34/37/653543437.db2.gz UFSLXCNRBRXYEK-GLQYFDAESA-N 1 0 380.286 1.807 20 0 GDADRO [NH3+][C@@H]1CCCCCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000638820564 653543918 /nfs/dbraw/zinc/54/39/18/653543918.db2.gz FBGKUDGYAQGDOJ-CYBMUJFWSA-N 1 0 389.315 1.953 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCCc2c[nH]c3c2cccc3Cl)CC[NH2+]CC1 ZINC000638800610 653543971 /nfs/dbraw/zinc/54/39/71/653543971.db2.gz OUFORCZZLQPBRM-UHFFFAOYSA-N 1 0 383.901 1.647 20 0 GDADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638828101 653544510 /nfs/dbraw/zinc/54/45/10/653544510.db2.gz QXMIHXHKZNBOLM-RHSMWYFYSA-N 1 0 391.295 1.947 20 0 GDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639057595 653545297 /nfs/dbraw/zinc/54/52/97/653545297.db2.gz CRTXMEHXUJRLJD-GHMZBOCLSA-N 1 0 376.320 1.621 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)s1 ZINC000639763089 653552698 /nfs/dbraw/zinc/55/26/98/653552698.db2.gz ASMGPAWOLTTYTH-GDBMZVCRSA-N 1 0 388.555 1.798 20 0 GDADRO O[C@H](COCc1cccs1)C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639773304 653553277 /nfs/dbraw/zinc/55/32/77/653553277.db2.gz PSVWEISBDNRWOB-IRXDYDNUSA-N 1 0 386.583 1.765 20 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/nfs/dbraw/zinc/56/82/44/653568244.db2.gz PEONZKUREFOGDE-GHMZBOCLSA-N 1 0 388.291 1.253 20 0 GDADRO Cc1nc2ccc(S(=O)(=O)NCCCN3CCC[N@@H+](C)CC3)cc2s1 ZINC000641649655 653574078 /nfs/dbraw/zinc/57/40/78/653574078.db2.gz ASDSOCHUGJUNMS-UHFFFAOYSA-N 1 0 382.555 1.911 20 0 GDADRO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)CC[NH2+]1 ZINC000642187579 653577544 /nfs/dbraw/zinc/57/75/44/653577544.db2.gz CTABDIRIESVAPM-BXUZGUMPSA-N 1 0 383.290 1.478 20 0 GDADRO O=C(NCCc1cc(Br)ccc1F)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642249373 653578052 /nfs/dbraw/zinc/57/80/52/653578052.db2.gz VKQWWIZCHNGUGV-ABAIWWIYSA-N 1 0 398.276 1.457 20 0 GDADRO CC[C@H]1CN(C(=O)C(=O)NCc2cc(Br)ccc2C)CC[C@H]1[NH3+] ZINC000642640867 653578966 /nfs/dbraw/zinc/57/89/66/653578966.db2.gz FVQMXRRNNGMLTB-SWLSCSKDSA-N 1 0 382.302 1.960 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000642782432 653579362 /nfs/dbraw/zinc/57/93/62/653579362.db2.gz DSNIGVDXZLDXQE-AWEZNQCLSA-N 1 0 395.301 1.012 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000642918116 653579806 /nfs/dbraw/zinc/57/98/06/653579806.db2.gz NWSNAAPVLCPKAI-HNNXBMFYSA-N 1 0 396.285 1.217 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCc4nnnn4CC3)cnc12 ZINC000643297187 653581443 /nfs/dbraw/zinc/58/14/43/653581443.db2.gz MGXIVVASVWWAFZ-LBPRGKRZSA-N 1 0 376.262 1.886 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NC2CCC(OC(F)F)CC2)CCSC1 ZINC000643329210 653581624 /nfs/dbraw/zinc/58/16/24/653581624.db2.gz VCKQLHYNRCHEMV-PPUFBPAQSA-N 1 0 379.473 1.207 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643474954 653583015 /nfs/dbraw/zinc/58/30/15/653583015.db2.gz YRLTXFITUSVGEW-WFASDCNBSA-N 1 0 380.286 1.618 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643476125 653583045 /nfs/dbraw/zinc/58/30/45/653583045.db2.gz OTPBGPVEWWXSEJ-UHFFFAOYSA-N 1 0 398.301 1.626 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643485562 653583134 /nfs/dbraw/zinc/58/31/34/653583134.db2.gz ISJLQGBYGRCJGO-UKRRQHHQSA-N 1 0 380.286 1.618 20 0 GDADRO O=S1(=O)CC[C@@H](NC[C@H]2C[NH2+]CCCO2)c2cc(Br)ccc21 ZINC000643542372 653583528 /nfs/dbraw/zinc/58/35/28/653583528.db2.gz BVLQQASJUAZONM-TZMCWYRMSA-N 1 0 389.315 1.636 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)CC2=O)ccc1Br ZINC000644141638 653596022 /nfs/dbraw/zinc/59/60/22/653596022.db2.gz ZFMCHBILORIJLT-AVGNSLFASA-N 1 0 398.276 1.927 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644153552 653596087 /nfs/dbraw/zinc/59/60/87/653596087.db2.gz QYOXUMPECLLDDB-GWCFXTLKSA-N 1 0 375.778 1.945 20 0 GDADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644153555 653596092 /nfs/dbraw/zinc/59/60/92/653596092.db2.gz QYOXUMPECLLDDB-ZWNOBZJWSA-N 1 0 375.778 1.945 20 0 GDADRO CCc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(S(=O)(=O)NC)s2)c1 ZINC000644516570 653599095 /nfs/dbraw/zinc/59/90/95/653599095.db2.gz SGRGMTYTUQYAHS-AWEZNQCLSA-N 1 0 384.523 1.748 20 0 GDADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000644526914 653599118 /nfs/dbraw/zinc/59/91/18/653599118.db2.gz OQRLLCHFSXBDCE-LZWOXQAQSA-N 1 0 390.933 1.173 20 0 GDADRO C[C@H](OC[C@H](O)C[NH2+]CCCN1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000644536869 653599163 /nfs/dbraw/zinc/59/91/63/653599163.db2.gz JULIIQSYBPJFEW-WMLDXEAASA-N 1 0 390.933 1.794 20 0 GDADRO NS(=O)(=O)Cc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)c1 ZINC000644540447 653599198 /nfs/dbraw/zinc/59/91/98/653599198.db2.gz MGSXHDMWYPGFBT-OAHLLOKOSA-N 1 0 384.885 1.658 20 0 GDADRO C[C@@H](OC[C@H](O)C[NH2+]CC(C)(C)NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000644557322 653599298 /nfs/dbraw/zinc/59/92/98/653599298.db2.gz IBBBZGQZMFFUDM-IUODEOHRSA-N 1 0 378.922 1.696 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)COc2ccccc2C)s1 ZINC000644603594 653599536 /nfs/dbraw/zinc/59/95/36/653599536.db2.gz BWFVEPWBKUGZKG-HNNXBMFYSA-N 1 0 384.523 1.673 20 0 GDADRO COCCOC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000644616460 653599608 /nfs/dbraw/zinc/59/96/08/653599608.db2.gz HWMKZWWXGUADGT-DOMZBBRYSA-N 1 0 377.268 1.712 20 0 GDADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)CN3CCOCC3)nc12 ZINC000644620946 653599643 /nfs/dbraw/zinc/59/96/43/653599643.db2.gz REWSBLLFIYJNDG-MRXNPFEDSA-N 1 0 397.317 1.230 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644627204 653599671 /nfs/dbraw/zinc/59/96/71/653599671.db2.gz SYVNAHBCWXFIPQ-LBPRGKRZSA-N 1 0 383.297 1.214 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644627136 653599685 /nfs/dbraw/zinc/59/96/85/653599685.db2.gz LMVJDQUBMCSHRE-NSHDSACASA-N 1 0 383.297 1.214 20 0 GDADRO C[C@H](OC[C@H](O)C[NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000644627016 653599710 /nfs/dbraw/zinc/59/97/10/653599710.db2.gz AZEQTMVSMBUWQC-BLLLJJGKSA-N 1 0 376.906 1.260 20 0 GDADRO CC[C@@H](O)C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000644631834 653599715 /nfs/dbraw/zinc/59/97/15/653599715.db2.gz BELWPGLZRWMIDE-UONOGXRCSA-N 1 0 391.331 1.963 20 0 GDADRO C[C@@H](O)C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000644631972 653599771 /nfs/dbraw/zinc/59/97/71/653599771.db2.gz KPNNQEMGMMVBEF-YPMHNXCESA-N 1 0 377.304 1.573 20 0 GDADRO C[C@H](OC[C@H](O)C[NH2+]C1CC(NS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000644640644 653599815 /nfs/dbraw/zinc/59/98/15/653599815.db2.gz MYAXRUQOJPKDGU-IWNGFBJFSA-N 1 0 376.906 1.448 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000645185672 653601824 /nfs/dbraw/zinc/60/18/24/653601824.db2.gz BVJWVCDSKVBQRB-HNNXBMFYSA-N 1 0 398.301 1.545 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1cccc(Br)c1 ZINC000645184265 653601841 /nfs/dbraw/zinc/60/18/41/653601841.db2.gz MANSDZUUYJLWPX-LBPRGKRZSA-N 1 0 383.290 1.711 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCc1cccc(Br)c1 ZINC000645451695 653602820 /nfs/dbraw/zinc/60/28/20/653602820.db2.gz CUFZMGBMOWWKKZ-CYBMUJFWSA-N 1 0 397.317 1.753 20 0 GDADRO CO[C@H](CS(=O)(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C1CCOCC1 ZINC000645469666 653602989 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Cc1cccc2cc(S(=O)(=O)N3CN(CC[NH+](C)C)C(=O)[C@H]3C)sc21 ZINC000645836469 653607334 /nfs/dbraw/zinc/60/73/34/653607334.db2.gz SBWKXHXDFCPREZ-CYBMUJFWSA-N 1 0 381.523 1.950 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000646216310 653609162 /nfs/dbraw/zinc/60/91/62/653609162.db2.gz SLCRZMPSGMZXLO-MJVIPROJSA-N 1 0 383.290 1.757 20 0 GDADRO C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000646298779 653609527 /nfs/dbraw/zinc/60/95/27/653609527.db2.gz QCVLDDLMALSPRV-MXWKQRLJSA-N 1 0 394.269 1.642 20 0 GDADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646364684 653609939 /nfs/dbraw/zinc/60/99/39/653609939.db2.gz BJGNTGGLZZMGCB-CYBMUJFWSA-N 1 0 392.301 1.456 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646377844 653609997 /nfs/dbraw/zinc/60/99/97/653609997.db2.gz GDZJFZHMJHQQSA-SOUVJXGZSA-N 1 0 385.555 1.653 20 0 GDADRO O=C(CCCc1cccc(Br)c1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803534 653614165 /nfs/dbraw/zinc/61/41/65/653614165.db2.gz AZZLXFNTDXLTKL-UHFFFAOYSA-N 1 0 393.289 1.938 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ncc(Br)cc2Br)CCO1 ZINC000646853543 653615069 /nfs/dbraw/zinc/61/50/69/653615069.db2.gz HZHZWWPZQFSWAR-XCBNKYQSSA-N 1 0 393.079 1.795 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000647155344 653622470 /nfs/dbraw/zinc/62/24/70/653622470.db2.gz XNRHUYRFFDLLRT-ZDUSSCGKSA-N 1 0 386.861 1.739 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647233753 653623792 /nfs/dbraw/zinc/62/37/92/653623792.db2.gz DEDHIWUNMUZBEL-YWPYICTPSA-N 1 0 392.905 1.490 20 0 GDADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647233671 653623831 /nfs/dbraw/zinc/62/38/31/653623831.db2.gz BYDYFXQPVPEBPA-SKDRFNHKSA-N 1 0 381.267 1.633 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000647234724 653623928 /nfs/dbraw/zinc/62/39/28/653623928.db2.gz YVKXSGCWDBYDBY-KCJUWKMLSA-N 1 0 383.695 1.839 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CCO1 ZINC000647235137 653624285 /nfs/dbraw/zinc/62/42/85/653624285.db2.gz OJLFWXBXIYYAOH-RNCFNFMXSA-N 1 0 397.722 1.980 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1OC ZINC000647264921 653624734 /nfs/dbraw/zinc/62/47/34/653624734.db2.gz ZFVYFRIIKIXSBJ-GXFFZTMASA-N 1 0 387.889 1.081 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000647293670 653625333 /nfs/dbraw/zinc/62/53/33/653625333.db2.gz VARLGBVNMJWSHZ-JYJNAYRXSA-N 1 0 375.510 1.129 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000647314101 653625873 /nfs/dbraw/zinc/62/58/73/653625873.db2.gz QSGUBSJHVIGSQY-KGLIPLIRSA-N 1 0 389.543 1.184 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)F)CC12CCOCC2 ZINC000647322299 653625970 /nfs/dbraw/zinc/62/59/70/653625970.db2.gz PVOCQBKEYHGJTK-GFCCVEGCSA-N 1 0 376.425 1.664 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ncccc2C(F)(F)F)CC12CCOCC2 ZINC000647322733 653626208 /nfs/dbraw/zinc/62/62/08/653626208.db2.gz KOIQAZJKTHULTH-NSHDSACASA-N 1 0 379.404 1.476 20 0 GDADRO CNC(=O)[C@H](C[NH2+][C@@H](C)CS(C)(=O)=O)Cc1ccc(C(F)(F)F)cc1 ZINC000647351014 653626589 /nfs/dbraw/zinc/62/65/89/653626589.db2.gz JEGHUKNRZLRLHE-AAEUAGOBSA-N 1 0 380.432 1.633 20 0 GDADRO O=C1[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCN1CCO ZINC000647531707 653628504 /nfs/dbraw/zinc/62/85/04/653628504.db2.gz UQFKNIUQPQFDCO-XHDPSFHLSA-N 1 0 377.268 1.306 20 0 GDADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000647679290 653632726 /nfs/dbraw/zinc/63/27/26/653632726.db2.gz WTGGFYUEFHLRNU-CYBMUJFWSA-N 1 0 382.306 1.030 20 0 GDADRO CN(CCN1CC[NH2+]CC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647836154 653635696 /nfs/dbraw/zinc/63/56/96/653635696.db2.gz CUNJKALSJOJZSC-MRXNPFEDSA-N 1 0 381.318 1.391 20 0 GDADRO CC1(C)C[NH2+]CCN1C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000647840551 653635976 /nfs/dbraw/zinc/63/59/76/653635976.db2.gz FKLLPHWFALIEGN-UHFFFAOYSA-N 1 0 375.288 1.433 20 0 GDADRO CSc1nnc(CCCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)n1CC(C)C ZINC000647993374 653637182 /nfs/dbraw/zinc/63/71/82/653637182.db2.gz KHFMQOCRFMZHSG-LBPRGKRZSA-N 1 0 375.489 1.950 20 0 GDADRO COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000648147035 653640210 /nfs/dbraw/zinc/64/02/10/653640210.db2.gz ZXAWGIJBRGAYEY-FZMZJTMJSA-N 1 0 376.425 1.218 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2=O)ccc1Br ZINC000648163861 653640428 /nfs/dbraw/zinc/64/04/28/653640428.db2.gz APWSYEKTCVYJOF-QZKOUSHUSA-N 1 0 378.270 1.729 20 0 GDADRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000648163526 653640445 /nfs/dbraw/zinc/64/04/45/653640445.db2.gz KDDOOJQOQIZUPX-HOCLYGCPSA-N 1 0 380.286 1.981 20 0 GDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648209087 653641238 /nfs/dbraw/zinc/64/12/38/653641238.db2.gz NQUPICPWMJDYJG-SNVBAGLBSA-N 1 0 377.919 1.471 20 0 GDADRO CN(C(=O)c1c(Br)cnn1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648934514 653660691 /nfs/dbraw/zinc/66/06/91/653660691.db2.gz PPNCMFCFXLTQGF-ZDUSSCGKSA-N 1 0 384.322 1.423 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000649076814 653663927 /nfs/dbraw/zinc/66/39/27/653663927.db2.gz DRTWWIPJRSLLII-JTQLQIEISA-N 1 0 381.527 1.616 20 0 GDADRO CC[NH+]1CCN(CC(=O)NCc2cc(OC)c(O)cc2Br)CC1 ZINC000649195278 653664337 /nfs/dbraw/zinc/66/43/37/653664337.db2.gz DLBKJSBZPSRHIK-UHFFFAOYSA-N 1 0 386.290 1.417 20 0 GDADRO C[C@@]([NH3+])(C(=O)N1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000649278963 653666471 /nfs/dbraw/zinc/66/64/71/653666471.db2.gz OVYPGYQRHZZMQY-WMZOPIPTSA-N 1 0 396.329 1.946 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000649477380 653667990 /nfs/dbraw/zinc/66/79/90/653667990.db2.gz NGMXGPZUGZKTHK-CYBMUJFWSA-N 1 0 375.897 1.880 20 0 GDADRO C[NH+](C)CCN1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1=O ZINC000649688751 653671978 /nfs/dbraw/zinc/67/19/78/653671978.db2.gz MSFLVSPXHVCFOZ-CQSZACIVSA-N 1 0 390.311 1.439 20 0 GDADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000649741940 653673161 /nfs/dbraw/zinc/67/31/61/653673161.db2.gz JRDRXJRIHMGXNC-NWDGAFQWSA-N 1 0 375.238 1.998 20 0 GDADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000650067782 653683337 /nfs/dbraw/zinc/68/33/37/653683337.db2.gz DDDYBKSFUNOIKR-ZDUSSCGKSA-N 1 0 393.912 1.592 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)ccc2Cl)CC1=O ZINC000650300126 653690395 /nfs/dbraw/zinc/69/03/95/653690395.db2.gz RORAZYVZFAFSOG-UHFFFAOYSA-N 1 0 388.693 1.949 20 0 GDADRO Cc1ccc(CCC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(Br)c1 ZINC000650307687 653690995 /nfs/dbraw/zinc/69/09/95/653690995.db2.gz KHNYUTLMXNVOIA-UHFFFAOYSA-N 1 0 396.329 1.923 20 0 GDADRO CC(C)C[N@H+](C)CCCNc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O ZINC000651363041 653821304 /nfs/dbraw/zinc/82/13/04/653821304.db2.gz MRLNMNCNEUFPPF-UHFFFAOYSA-N 1 0 377.532 1.127 20 0 GDADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1=O ZINC000651793450 653856627 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COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000652373209 653889628 /nfs/dbraw/zinc/88/96/28/653889628.db2.gz BQYCNJXMRUCZEE-UHFFFAOYSA-N 1 0 395.294 1.977 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652628718 653894420 /nfs/dbraw/zinc/89/44/20/653894420.db2.gz KOAPELFQJQJSEV-GTNSWQLSSA-N 1 0 396.285 1.984 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)s1 ZINC000653062550 653904712 /nfs/dbraw/zinc/90/47/12/653904712.db2.gz BYTQCPHTFCICLD-LSDHHAIUSA-N 1 0 385.555 1.925 20 0 GDADRO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1cc2c(cc1Br)OCCO2 ZINC000653074702 653905060 /nfs/dbraw/zinc/90/50/60/653905060.db2.gz RXBLZYWQWZUWJO-DINDLPBHSA-N 1 0 397.269 1.634 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000653261722 653909215 /nfs/dbraw/zinc/90/92/15/653909215.db2.gz WEFNGKQSRIYYEG-MRVWCRGKSA-N 1 0 387.527 1.157 20 0 GDADRO COCCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000653475105 653913731 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Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)C(C)C)cc1 ZINC000655506230 653971799 /nfs/dbraw/zinc/97/17/99/653971799.db2.gz QHJWCOZGEBTDOK-OLZOCXBDSA-N 1 0 381.420 1.304 20 0 GDADRO COCCNC(=O)CSc1ccccc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655507061 653972096 /nfs/dbraw/zinc/97/20/96/653972096.db2.gz ZVTFFASLLPHVKC-LBPRGKRZSA-N 1 0 379.404 1.161 20 0 GDADRO CC[C@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000655508721 653972648 /nfs/dbraw/zinc/97/26/48/653972648.db2.gz NSAHIYHQSUHEBN-GHMZBOCLSA-N 1 0 376.770 1.950 20 0 GDADRO CC[N@H+](CCO)CCNS(=O)(=O)Cc1cccc(Br)c1C ZINC000655557146 653975604 /nfs/dbraw/zinc/97/56/04/653975604.db2.gz VASOTFDBVHIDJH-UHFFFAOYSA-N 1 0 379.320 1.491 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1)C(F)(F)F ZINC000655911018 653993112 /nfs/dbraw/zinc/99/31/12/653993112.db2.gz GLFAZTQOMHLDGM-SECBINFHSA-N 1 0 383.168 1.576 20 0 GDADRO NC(=O)[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000655929883 653994738 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C[NH+](C)CCOC1CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000656916893 654071306 /nfs/dbraw/zinc/07/13/06/654071306.db2.gz WUYAWUFLOGYEPW-UHFFFAOYSA-N 1 0 392.319 1.575 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)C[C@@H](OC)C2CCCC2)CC1 ZINC000656917689 654071810 /nfs/dbraw/zinc/07/18/10/654071810.db2.gz KOKJTUAEVGFPOS-SJLPKXTDSA-N 1 0 375.579 1.385 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656959837 654078172 /nfs/dbraw/zinc/07/81/72/654078172.db2.gz DUHBEIMRNFPGAU-ZDUSSCGKSA-N 1 0 381.267 1.074 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)C[C@@H](OC)C2CCCCC2)CC1 ZINC000656964374 654079461 /nfs/dbraw/zinc/07/94/61/654079461.db2.gz DAZITFWWGSTHTF-FUHWJXTLSA-N 1 0 375.579 1.527 20 0 GDADRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000657325860 654149484 /nfs/dbraw/zinc/14/94/84/654149484.db2.gz JOLJENPXYBRAMH-UHFFFAOYSA-N 1 0 376.404 1.778 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000657332576 654149525 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CN(Cc1ccc(Br)s1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659632714 654230380 /nfs/dbraw/zinc/23/03/80/654230380.db2.gz DUDSUNGVVAOFFV-UHFFFAOYSA-N 1 0 386.275 1.807 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000659643275 654230990 /nfs/dbraw/zinc/23/09/90/654230990.db2.gz PUPPCDRBLRDPPC-GHMZBOCLSA-N 1 0 376.270 1.646 20 0 GDADRO C[C@@H]1C[N@@H+](CCN2CCN(c3nnc(C(F)(F)F)s3)CC2)C[C@H](C)O1 ZINC000660324046 654246644 /nfs/dbraw/zinc/24/66/44/654246644.db2.gz HFRRHRBWHZFIPN-TXEJJXNPSA-N 1 0 379.452 1.788 20 0 GDADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000660555978 654254365 /nfs/dbraw/zinc/25/43/65/654254365.db2.gz CTZCYKLIWPLOFS-IXDOHACOSA-N 1 0 375.579 1.478 20 0 GDADRO COc1ncc(Br)cc1CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000662272132 654291587 /nfs/dbraw/zinc/29/15/87/654291587.db2.gz KKQTVNLWLNZBDM-CQSZACIVSA-N 1 0 385.306 1.672 20 0 GDADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662476687 654295424 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CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000682275335 654750726 /nfs/dbraw/zinc/75/07/26/654750726.db2.gz ZWLFUZVKUSOOJM-GFCCVEGCSA-N 1 0 399.289 1.077 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000682432488 654752924 /nfs/dbraw/zinc/75/29/24/654752924.db2.gz YTIYWACSPYSMPQ-AWEZNQCLSA-N 1 0 397.317 1.660 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000779016920 654753617 /nfs/dbraw/zinc/75/36/17/654753617.db2.gz VKGALHQCNSYZHC-GJZGRUSLSA-N 1 0 377.551 1.893 20 0 GDADRO CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)C1 ZINC000779473989 654762389 /nfs/dbraw/zinc/76/23/89/654762389.db2.gz MFSAIBAPQZIUAJ-OAHLLOKOSA-N 1 0 375.535 1.647 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000779520748 654762603 /nfs/dbraw/zinc/76/26/03/654762603.db2.gz UORQGHOIOKLKIU-PBHICJAKSA-N 1 0 375.535 1.647 20 0 GDADRO C[NH+](C)CCOc1ccccc1CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000746855085 654768607 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GDADRO COc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)nc1Br ZINC000781960908 654821419 /nfs/dbraw/zinc/82/14/19/654821419.db2.gz BXULBOCYZOBNGG-NSHDSACASA-N 1 0 399.289 1.170 20 0 GDADRO CC[NH+](CC)CCCC1CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000782209780 654826310 /nfs/dbraw/zinc/82/63/10/654826310.db2.gz LJNKIYKJAQKQLO-UHFFFAOYSA-N 1 0 378.608 1.244 20 0 GDADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1cncc(Br)c1 ZINC000714337794 654835937 /nfs/dbraw/zinc/83/59/37/654835937.db2.gz KQORDOKMBCGZPB-UHFFFAOYSA-N 1 0 376.198 1.746 20 0 GDADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714253067 654836004 /nfs/dbraw/zinc/83/60/04/654836004.db2.gz RNISASHHWKMEPD-KBUPBQIOSA-N 1 0 376.519 1.566 20 0 GDADRO CO[C@@]1(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CCS(=O)(=O)C1 ZINC000721146819 654838161 /nfs/dbraw/zinc/83/81/61/654838161.db2.gz LKSMIGXFPBBQRQ-QGZVFWFLSA-N 1 0 378.535 1.815 20 0 GDADRO CO[C@]1(C[NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CCS(=O)(=O)C1 ZINC000721257783 654838325 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COCCN(C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000831789613 654997337 /nfs/dbraw/zinc/99/73/37/654997337.db2.gz QTWIDOQJUMCJPU-KBPBESRZSA-N 1 0 389.905 1.095 20 0 GDADRO COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000804942171 655004415 /nfs/dbraw/zinc/00/44/15/655004415.db2.gz LYHUWLVFQWHRTR-CYBMUJFWSA-N 1 0 382.332 1.949 20 0 GDADRO Cc1nc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(Br)n1C ZINC000804991645 655007933 /nfs/dbraw/zinc/00/79/33/655007933.db2.gz VYWKMNAFZAWWHY-NSHDSACASA-N 1 0 377.308 1.254 20 0 GDADRO O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCn2c(Br)cnc2C1 ZINC000832077473 655009649 /nfs/dbraw/zinc/00/96/49/655009649.db2.gz FTVJSOMAGFNMKU-UHFFFAOYSA-N 1 0 375.270 1.990 20 0 GDADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCn2c(Br)cnc2C1 ZINC000832078572 655009864 /nfs/dbraw/zinc/00/98/64/655009864.db2.gz WLSLLURLRMLVCO-OWRWGESLSA-N 1 0 383.290 1.520 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)[C@H](C)C1 ZINC000756180019 655013806 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GDADRO O=C(Nc1ccc(Br)nc1)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841260431 655318067 /nfs/dbraw/zinc/31/80/67/655318067.db2.gz SQZNFXYBIIFHJH-VXGBXAGGSA-N 1 0 381.274 1.631 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000841405359 655321872 /nfs/dbraw/zinc/32/18/72/655321872.db2.gz HRSMBBZECZBQLA-LBPRGKRZSA-N 1 0 378.441 1.770 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH+](C)C)CC2)c1 ZINC000841453175 655325503 /nfs/dbraw/zinc/32/55/03/655325503.db2.gz LVPDFXCWOYFWLX-UHFFFAOYSA-N 1 0 389.905 1.089 20 0 GDADRO C[C@H](CNC(=O)CCN1C(=O)CCNC1=S)N1CCc2sccc2C1 ZINC000816906474 655337908 /nfs/dbraw/zinc/33/79/08/655337908.db2.gz KYDXGMXWRDFKSB-GFCCVEGCSA-N 1 0 380.539 1.108 20 0 GDADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000841546559 655343090 /nfs/dbraw/zinc/34/30/90/655343090.db2.gz UCEKOZNGKRVLOO-LBPRGKRZSA-N 1 0 394.946 1.754 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc(F)c1F ZINC000841549371 655343883 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1.670 20 0 GDADRO CC[NH+]1CCC(N2CCCN(C(=O)c3cc(Br)n(C)n3)CC2)CC1 ZINC000817656389 655356181 /nfs/dbraw/zinc/35/61/81/655356181.db2.gz IIYCNRVWMMVOJA-UHFFFAOYSA-N 1 0 398.349 1.815 20 0 GDADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000842184674 655357925 /nfs/dbraw/zinc/35/79/25/655357925.db2.gz UVAFPAGTXROXHX-BZUAXINKSA-N 1 0 385.599 1.911 20 0 GDADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000842207702 655358670 /nfs/dbraw/zinc/35/86/70/655358670.db2.gz TUZTXHQQFFXMNM-AAEUAGOBSA-N 1 0 389.905 1.944 20 0 GDADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cnc(Cl)c(C(F)(F)F)c3)C[C@H]2C1 ZINC000842208399 655358765 /nfs/dbraw/zinc/35/87/65/655358765.db2.gz LBDUQQLDPQLMMK-DTORHVGOSA-N 1 0 376.766 1.712 20 0 GDADRO O=C(NCCc1ccc(Br)cc1F)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000842216535 655359238 /nfs/dbraw/zinc/35/92/38/655359238.db2.gz KRGCUCGSFDXTPP-CYBMUJFWSA-N 1 0 386.265 1.505 20 0 GDADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000842223956 655359737 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1.331 20 0 GDADRO CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)CC[NH3+])c1 ZINC000818010290 655364453 /nfs/dbraw/zinc/36/44/53/655364453.db2.gz IMCXXQLMAHWKAB-UHFFFAOYSA-N 1 0 392.319 1.414 20 0 GDADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3nccn4c(Br)cnc34)[C@H]2C1 ZINC000818045518 655364992 /nfs/dbraw/zinc/36/49/92/655364992.db2.gz OUVZCRHPJDOPHO-NWDGAFQWSA-N 1 0 394.273 1.427 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)s1 ZINC000842481071 655367018 /nfs/dbraw/zinc/36/70/18/655367018.db2.gz AWJRVXLXTNPAIG-SECBINFHSA-N 1 0 399.332 1.949 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000842483476 655367562 /nfs/dbraw/zinc/36/75/62/655367562.db2.gz KVIHIRCCJYEUDM-SECBINFHSA-N 1 0 386.948 1.471 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(Br)o1 ZINC000842483977 655367679 /nfs/dbraw/zinc/36/76/79/655367679.db2.gz YUZVDSYVKDQXSO-AMIZOPFISA-N 1 0 395.275 1.434 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1)C(F)F ZINC000842484143 655367845 /nfs/dbraw/zinc/36/78/45/655367845.db2.gz DVRXUWINCBUDQA-CQSZACIVSA-N 1 0 380.438 1.200 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1F ZINC000842485332 655368042 /nfs/dbraw/zinc/36/80/42/655368042.db2.gz MKOSYCYVHWFVQG-HNNXBMFYSA-N 1 0 391.490 1.104 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842485344 655368067 /nfs/dbraw/zinc/36/80/67/655368067.db2.gz QNGPIMXLRWIXNN-ZDUSSCGKSA-N 1 0 392.262 1.808 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CC[NH3+])c(Br)cc1Cl ZINC000842486258 655368252 /nfs/dbraw/zinc/36/82/52/655368252.db2.gz VTZIWFQYHYSLEG-UHFFFAOYSA-N 1 0 385.667 1.468 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c(Br)o1 ZINC000842486342 655368260 /nfs/dbraw/zinc/36/82/60/655368260.db2.gz XXLNOYOHEZPXTC-RKDXNWHRSA-N 1 0 395.275 1.434 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CCC([NH3+])CC2)s1 ZINC000842676111 655370656 /nfs/dbraw/zinc/37/06/56/655370656.db2.gz KIKQOQPYYHUEFQ-UHFFFAOYSA-N 1 0 383.289 1.409 20 0 GDADRO C[NH2+]CCCNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000842688997 655371270 /nfs/dbraw/zinc/37/12/70/655371270.db2.gz RFKZRLISJZGXPJ-UHFFFAOYSA-N 1 0 383.239 1.263 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000842689286 655371287 /nfs/dbraw/zinc/37/12/87/655371287.db2.gz AMELRJJITPOAKG-IUCAKERBSA-N 1 0 386.948 1.695 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c(F)cc1Br ZINC000842701060 655371949 /nfs/dbraw/zinc/37/19/49/655371949.db2.gz IOFZFLWKSHOLLT-QMMMGPOBSA-N 1 0 395.250 1.344 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1Br ZINC000842726750 655373976 /nfs/dbraw/zinc/37/39/76/655373976.db2.gz NFQAZPAKHNTKIG-RNCFNFMXSA-N 1 0 391.287 1.594 20 0 GDADRO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC000842734074 655374220 /nfs/dbraw/zinc/37/42/20/655374220.db2.gz FPNHCLQOMVCFIN-NSHDSACASA-N 1 0 386.470 1.727 20 0 GDADRO Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4nc(Cl)sc4c3)C[C@H]2[NH3+])cn1 ZINC000818430567 655374497 /nfs/dbraw/zinc/37/44/97/655374497.db2.gz PHHHVEDTMXSJQU-NWDGAFQWSA-N 1 0 397.913 1.799 20 0 GDADRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000818434515 655374680 /nfs/dbraw/zinc/37/46/80/655374680.db2.gz VQMBEJMKUGZZBS-KGLIPLIRSA-N 1 0 381.489 1.665 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(Cl)cc1Cl ZINC000842744042 655374866 /nfs/dbraw/zinc/37/48/66/655374866.db2.gz NKYIXWHOHXWZCT-PELKAZGASA-N 1 0 397.280 1.517 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000842766631 655375913 /nfs/dbraw/zinc/37/59/13/655375913.db2.gz VEMHRTIJKGEJQI-CQSZACIVSA-N 1 0 393.278 1.971 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000818564261 655376510 /nfs/dbraw/zinc/37/65/10/655376510.db2.gz YXNOMDITKSXNCU-OLZOCXBDSA-N 1 0 385.917 1.934 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000818589454 655376763 /nfs/dbraw/zinc/37/67/63/655376763.db2.gz CMVBXCZRRPXUEK-XHBSWPGZSA-N 1 0 385.917 1.996 20 0 GDADRO [NH3+][C@H](CNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21)C1CC1 ZINC000842790584 655377127 /nfs/dbraw/zinc/37/71/27/655377127.db2.gz KHBACWNZRHLKHC-SECBINFHSA-N 1 0 393.694 1.766 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1Cl ZINC000842792616 655377431 /nfs/dbraw/zinc/37/74/31/655377431.db2.gz NEFAPYIRSCQOEA-SUHUHFCYSA-N 1 0 392.930 1.491 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)c(Br)cc1F ZINC000842798763 655377905 /nfs/dbraw/zinc/37/79/05/655377905.db2.gz AFAQMVMRPKGCNW-LJGSYFOKSA-N 1 0 381.223 1.143 20 0 GDADRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)C1 ZINC000842799466 655378015 /nfs/dbraw/zinc/37/80/15/655378015.db2.gz PSUANMBTFGQLCU-ZKCHVHJHSA-N 1 0 379.667 1.518 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)ccc1Cl ZINC000842804443 655378414 /nfs/dbraw/zinc/37/84/14/655378414.db2.gz MELHFUGFRVCAES-CYBMUJFWSA-N 1 0 380.919 1.539 20 0 GDADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000842822570 655379574 /nfs/dbraw/zinc/37/95/74/655379574.db2.gz YLBFVYLWSYKYJO-JTQLQIEISA-N 1 0 386.417 1.353 20 0 GDADRO COCC[NH2+]CCNS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000842824796 655379767 /nfs/dbraw/zinc/37/97/67/655379767.db2.gz BUAGVGLGXWNDPE-UHFFFAOYSA-N 1 0 385.255 1.111 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)ccc1Br ZINC000842836794 655380592 /nfs/dbraw/zinc/38/05/92/655380592.db2.gz HAUMEGHBOZEABU-VHSXEESVSA-N 1 0 391.287 1.607 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)CCC[NH3+])c(Br)o1 ZINC000842876125 655382046 /nfs/dbraw/zinc/38/20/46/655382046.db2.gz QDLBWFSXEGCJJV-UHFFFAOYSA-N 1 0 383.264 1.625 20 0 GDADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2cc(OC)ccc2OC)s1 ZINC000818947051 655382065 /nfs/dbraw/zinc/38/20/65/655382065.db2.gz BJVHTJRBDOLKSE-CQSZACIVSA-N 1 0 386.495 1.497 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c(Br)cc1Cl ZINC000842882165 655382340 /nfs/dbraw/zinc/38/23/40/655382340.db2.gz OZFDBILQRCNHGI-BQBZGAKWSA-N 1 0 399.694 1.903 20 0 GDADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000818958513 655382384 /nfs/dbraw/zinc/38/23/84/655382384.db2.gz PDTCLICZNJWCIC-GOSISDBHSA-N 1 0 382.913 1.953 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818976540 655382746 /nfs/dbraw/zinc/38/27/46/655382746.db2.gz INXXLRODQJYOHQ-FZMZJTMJSA-N 1 0 395.294 1.635 20 0 GDADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000818976586 655382756 /nfs/dbraw/zinc/38/27/56/655382756.db2.gz JZUQZPAGMZXDCA-SMDDNHRTSA-N 1 0 377.304 1.496 20 0 GDADRO CS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000818990322 655382918 /nfs/dbraw/zinc/38/29/18/655382918.db2.gz HMPOGMKFAGDMMS-HNNXBMFYSA-N 1 0 391.331 1.744 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000818998564 655382929 /nfs/dbraw/zinc/38/29/29/655382929.db2.gz SJVGANDODNJFPJ-AWEZNQCLSA-N 1 0 382.404 1.634 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC12CCOCC2 ZINC000842896511 655383499 /nfs/dbraw/zinc/38/34/99/655383499.db2.gz VSLBRFCTXNWPQU-SNVBAGLBSA-N 1 0 380.297 1.764 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1cc(F)ccc1F)NC[C@H]1CCCCO1 ZINC000819054936 655384249 /nfs/dbraw/zinc/38/42/49/655384249.db2.gz QDNIRTATDWLBJV-CZUORRHYSA-N 1 0 378.441 1.076 20 0 GDADRO C[C@](O)(C[NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1F ZINC000819054332 655384263 /nfs/dbraw/zinc/38/42/63/655384263.db2.gz NGWBVLZRGDZOIV-RISCZKNCSA-N 1 0 380.279 1.963 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)CCN1C1CCOCC1 ZINC000819129723 655386739 /nfs/dbraw/zinc/38/67/39/655386739.db2.gz NQEOVDDLJBTOLO-HOTGVXAUSA-N 1 0 383.286 1.852 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCN1C1CCOCC1 ZINC000819129102 655386786 /nfs/dbraw/zinc/38/67/86/655386786.db2.gz AIPSTDAFEUXVSI-HOTGVXAUSA-N 1 0 383.286 1.852 20 0 GDADRO O[C@H](C[NH2+]C[C@@H](O)C1CC1)COc1ccc(I)cc1 ZINC000843071784 655387771 /nfs/dbraw/zinc/38/77/71/655387771.db2.gz MDGXTJMTSKFYMB-TZMCWYRMSA-N 1 0 377.222 1.391 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)O1 ZINC000819209073 655388207 /nfs/dbraw/zinc/38/82/07/655388207.db2.gz UBELVRQNEMADNO-GLQYFDAESA-N 1 0 389.265 1.847 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000819264554 655389018 /nfs/dbraw/zinc/38/90/18/655389018.db2.gz XBYYUYNBOGYIPX-CYBMUJFWSA-N 1 0 385.408 1.041 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819264427 655389027 /nfs/dbraw/zinc/38/90/27/655389027.db2.gz TYVDVOPSLPDXSP-ZDUSSCGKSA-N 1 0 398.298 1.044 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(F)cn1)c1ccc(F)cc1F ZINC000819285996 655389221 /nfs/dbraw/zinc/38/92/21/655389221.db2.gz CITYBGMJIHHIKY-AWEZNQCLSA-N 1 0 375.372 1.100 20 0 GDADRO CON(C)C(=O)CC[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000819304191 655389456 /nfs/dbraw/zinc/38/94/56/655389456.db2.gz SGUQYIPSJGRDMW-UHFFFAOYSA-N 1 0 384.285 1.271 20 0 GDADRO CC(C)S(=O)(=O)CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000819316577 655389899 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C[C@H](CCCC[NH3+])NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843478734 655396235 /nfs/dbraw/zinc/39/62/35/655396235.db2.gz KAVUBFZBFUEUEA-NEPJUHHUSA-N 1 0 376.910 1.426 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000843484566 655396605 /nfs/dbraw/zinc/39/66/05/655396605.db2.gz TWCZRTNHLSTODX-JTQLQIEISA-N 1 0 378.292 1.167 20 0 GDADRO COc1ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)nc1Br ZINC000844095151 655406989 /nfs/dbraw/zinc/40/69/89/655406989.db2.gz UKJQFVPANNXDQG-UHFFFAOYSA-N 1 0 384.274 1.790 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000844178563 655408314 /nfs/dbraw/zinc/40/83/14/655408314.db2.gz BEVLXFDYIXDGGI-ZDUSSCGKSA-N 1 0 391.946 1.594 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000844184157 655408393 /nfs/dbraw/zinc/40/83/93/655408393.db2.gz ARBGEEOYAYHSPE-KGLIPLIRSA-N 1 0 382.302 1.913 20 0 GDADRO C[NH+](C)CCN1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1=O ZINC000844375332 655409884 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655463827 /nfs/dbraw/zinc/46/38/27/655463827.db2.gz STUGGWGWWNATIB-RRFJBIMHSA-N 1 0 375.535 1.646 20 0 GDADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1sc(S(N)(=O)=O)c(C)c1Cl ZINC000846990432 655464334 /nfs/dbraw/zinc/46/43/34/655464334.db2.gz ZISQDBHZFSMTDN-JTQLQIEISA-N 1 0 379.935 1.914 20 0 GDADRO COc1cc(Br)cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC000823562301 655465002 /nfs/dbraw/zinc/46/50/02/655465002.db2.gz SISYRFAPONZVHM-NSHDSACASA-N 1 0 384.274 1.650 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823649151 655466256 /nfs/dbraw/zinc/46/62/56/655466256.db2.gz GAXBPDQBUNKMOK-RHSMWYFYSA-N 1 0 375.535 1.505 20 0 GDADRO C[N@H+](CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCSC1 ZINC000847216366 655466674 /nfs/dbraw/zinc/46/66/74/655466674.db2.gz OPNKHLYGFMTWMI-QWRGUYRKSA-N 1 0 385.452 1.996 20 0 GDADRO Cn1ncc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1I ZINC000847254262 655467194 /nfs/dbraw/zinc/46/71/94/655467194.db2.gz FDKAMXADGIMNDG-VXGBXAGGSA-N 1 0 388.253 1.771 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)c2c(Br)nc3n2CCC3)C[C@@H](C)O1 ZINC000824085632 655471441 /nfs/dbraw/zinc/47/14/41/655471441.db2.gz NFFURGOTTNNYMN-VXGBXAGGSA-N 1 0 385.306 1.821 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000847567614 655472169 /nfs/dbraw/zinc/47/21/69/655472169.db2.gz RIYHDBCRNAPGKA-WAAGHKOSSA-N 1 0 389.681 1.892 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2nc(Cl)sc2Cl)CC1 ZINC000847587154 655472604 /nfs/dbraw/zinc/47/26/04/655472604.db2.gz WMWXNYJVCPAVRM-SECBINFHSA-N 1 0 377.297 1.829 20 0 GDADRO Cc1cc(C(F)(F)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cnc1Cl ZINC000825223909 655486159 /nfs/dbraw/zinc/48/61/59/655486159.db2.gz QFEFMDZZLXOVEN-UHFFFAOYSA-N 1 0 376.835 1.614 20 0 GDADRO C[NH+](C)CCCOC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000825266577 655486843 /nfs/dbraw/zinc/48/68/43/655486843.db2.gz YXULZCLWSFFNLR-UHFFFAOYSA-N 1 0 379.276 1.222 20 0 GDADRO Cc1cc(I)cc(C(=O)N(C)CC[N@H+](C)CCO)c1 ZINC000825528283 655490535 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C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1(C)CC1(Br)Br ZINC000826712620 655500470 /nfs/dbraw/zinc/50/04/70/655500470.db2.gz KRHXSJURQHWPHR-PWSUYJOCSA-N 1 0 397.155 1.635 20 0 GDADRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2cccc(S(N)(=O)=O)c2)cc(Cl)n1 ZINC000826912704 655503045 /nfs/dbraw/zinc/50/30/45/655503045.db2.gz GHYHUBQXAFNMLA-AWEZNQCLSA-N 1 0 382.873 1.397 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc(Br)n(C)n3)CC2)CC1 ZINC000827117419 655505998 /nfs/dbraw/zinc/50/59/98/655505998.db2.gz JTLGZTKNRRODQI-UHFFFAOYSA-N 1 0 398.349 1.813 20 0 GDADRO CN(C(=O)c1sccc1S(N)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000827196803 655507309 /nfs/dbraw/zinc/50/73/09/655507309.db2.gz PFTYXMNRPVZHTG-UHFFFAOYSA-N 1 0 383.495 1.613 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(Br)cc3-n3cnnn3)CC[C@H]21 ZINC000827221252 655508032 /nfs/dbraw/zinc/50/80/32/655508032.db2.gz WCEYESBFMXAYEG-SMDDNHRTSA-N 1 0 391.273 1.591 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CC[C@H]21 ZINC000827302676 655508800 /nfs/dbraw/zinc/50/88/00/655508800.db2.gz WWIDWPRKGUBCCZ-TVQRCGJNSA-N 1 0 375.853 1.293 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000827407237 655510743 /nfs/dbraw/zinc/51/07/43/655510743.db2.gz DQTUZTQKYBMUKH-UHFFFAOYSA-N 1 0 392.319 1.558 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])N2CCO[C@H](C)C2)s1 ZINC000849095533 655517291 /nfs/dbraw/zinc/51/72/91/655517291.db2.gz BGXUCWCIOCLXIZ-CYBMUJFWSA-N 1 0 388.559 1.566 20 0 GDADRO C[C@H]1CN(C(=[NH2+])NCCCNC(=O)c2ccc(Br)cc2)CCO1 ZINC000849093578 655517303 /nfs/dbraw/zinc/51/73/03/655517303.db2.gz ASGPCPKPFNDJBO-LBPRGKRZSA-N 1 0 383.290 1.814 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)s1 ZINC000849112329 655517403 /nfs/dbraw/zinc/51/74/03/655517403.db2.gz JGNLNRGAJFVEFI-UHFFFAOYSA-N 1 0 390.531 1.680 20 0 GDADRO COC[C@@H](C)NC(=[NH2+])NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000849116154 655517435 /nfs/dbraw/zinc/51/74/35/655517435.db2.gz HAVVFRGBNUGPCF-ZYHUDNBSSA-N 1 0 376.270 1.888 20 0 GDADRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2nn(C)cc2Br)CC1 ZINC000849114536 655517463 /nfs/dbraw/zinc/51/74/63/655517463.db2.gz LYQXNVINLCJOLV-UHFFFAOYSA-N 1 0 387.282 1.417 20 0 GDADRO COC[C@@H](C)NC(=[NH2+])NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000849116152 655517476 /nfs/dbraw/zinc/51/74/76/655517476.db2.gz HAVVFRGBNUGPCF-PWSUYJOCSA-N 1 0 376.270 1.888 20 0 GDADRO Cc1[nH]nc(Br)c1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000828143062 655519592 /nfs/dbraw/zinc/51/95/92/655519592.db2.gz XDQGPOFUEGRQRH-UHFFFAOYSA-N 1 0 379.262 1.880 20 0 GDADRO Cc1nc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)n1C ZINC000849411236 655529175 /nfs/dbraw/zinc/52/91/75/655529175.db2.gz BUWJUGSJOONELF-NSHDSACASA-N 1 0 393.351 1.890 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)[NH+](C)C ZINC000849428651 655533554 /nfs/dbraw/zinc/53/35/54/655533554.db2.gz CNFYVMXPJHVUHS-SNVBAGLBSA-N 1 0 388.433 1.599 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)c(Br)o1 ZINC000849429349 655533689 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1.899 20 0 GDADRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850495748 655556606 /nfs/dbraw/zinc/55/66/06/655556606.db2.gz IBNHEZOBPCIDAP-FTJNGKRUSA-N 1 0 376.400 1.962 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)n1 ZINC000850822016 655568875 /nfs/dbraw/zinc/56/88/75/655568875.db2.gz WGFCTJPWRGNTFQ-SECBINFHSA-N 1 0 382.877 1.394 20 0 GDADRO Cn1c(Cl)cnc1-c1csc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000850824376 655568981 /nfs/dbraw/zinc/56/89/81/655568981.db2.gz SLJBABBRZNMJCP-IUCAKERBSA-N 1 0 382.877 1.522 20 0 GDADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000850857185 655570213 /nfs/dbraw/zinc/57/02/13/655570213.db2.gz PPKOJAIXOUOFKK-GFCCVEGCSA-N 1 0 377.413 1.111 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000851729469 655593035 /nfs/dbraw/zinc/59/30/35/655593035.db2.gz BAVFIEBHAPBBGS-UONOGXRCSA-N 1 0 386.451 1.365 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc(F)c1F ZINC000851812903 655596139 /nfs/dbraw/zinc/59/61/39/655596139.db2.gz OAHWJCFAAIZYKI-NSHDSACASA-N 1 0 376.425 1.856 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c3nonc32)CCO1 ZINC000851884022 655602284 /nfs/dbraw/zinc/60/22/84/655602284.db2.gz LZTJTSOJIIVWST-LLVKDONJSA-N 1 0 388.877 1.608 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000851998762 655605417 /nfs/dbraw/zinc/60/54/17/655605417.db2.gz BIKKAYNVACUSNA-UONOGXRCSA-N 1 0 384.435 1.071 20 0 GDADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000852037980 655606304 /nfs/dbraw/zinc/60/63/04/655606304.db2.gz FJNXXJSKMFGMPK-KBPBESRZSA-N 1 0 386.451 1.174 20 0 GDADRO O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852461662 655615746 /nfs/dbraw/zinc/61/57/46/655615746.db2.gz YQHXHTUZORVPGM-PWECECGKSA-N 1 0 377.432 1.871 20 0 GDADRO CCOCC[C@@H](O)C[NH+]1CCC(n2nncc2I)CC1 ZINC000852532340 655617376 /nfs/dbraw/zinc/61/73/76/655617376.db2.gz INDVIHNCJSRIFT-GFCCVEGCSA-N 1 0 394.257 1.307 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2I)C1 ZINC000852790256 655622614 /nfs/dbraw/zinc/62/26/14/655622614.db2.gz NBQQXCZUUGMJLG-LLVKDONJSA-N 1 0 396.232 1.911 20 0 GDADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)CCO1 ZINC000852800043 655622845 /nfs/dbraw/zinc/62/28/45/655622845.db2.gz LGTJFTWDIDYMEV-RISCZKNCSA-N 1 0 379.258 1.823 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)=NO1 ZINC000852830464 655623893 /nfs/dbraw/zinc/62/38/93/655623893.db2.gz WJBBWXAKKVPXBW-CQSZACIVSA-N 1 0 396.285 1.717 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)Nc2nccn2Cc2ccc(Br)cc2)=NO1 ZINC000852852528 655624142 /nfs/dbraw/zinc/62/41/42/655624142.db2.gz AABPHTZKVCLIJI-GFCCVEGCSA-N 1 0 378.230 1.736 20 0 GDADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(n2nncc2I)CC1 ZINC000852860262 655624327 /nfs/dbraw/zinc/62/43/27/655624327.db2.gz AHTCUPVSNZRYBJ-SKDRFNHKSA-N 1 0 391.257 1.420 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)C3=NO[C@H](C[NH3+])C3)C2=O)ccc1Br ZINC000852889393 655625382 /nfs/dbraw/zinc/62/53/82/655625382.db2.gz OFQILWZKFFNSIH-WCQYABFASA-N 1 0 395.257 1.083 20 0 GDADRO COCC[NH2+]CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901918 655626233 /nfs/dbraw/zinc/62/62/33/655626233.db2.gz VXWOIQAUXGHXLF-KOLCDFICSA-N 1 0 384.112 1.577 20 0 GDADRO C[C@@]([NH3+])(C(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(Br)cc1 ZINC000852903653 655626397 /nfs/dbraw/zinc/62/63/97/655626397.db2.gz GAPLCNVHPLOTHE-CJNGLKHVSA-N 1 0 382.258 1.676 20 0 GDADRO O=C1CC[C@@H]2C[N@H+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@@H]2N1 ZINC000853561086 655643380 /nfs/dbraw/zinc/64/33/80/655643380.db2.gz ZJQNCRGQKWVONK-YPMHNXCESA-N 1 0 391.269 1.717 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCC[S@@](=O)CC(F)(F)F ZINC000854307500 655661693 /nfs/dbraw/zinc/66/16/93/655661693.db2.gz QZIXXMMTIXSLDL-RUZDIDTESA-N 1 0 380.436 1.466 20 0 GDADRO CC(C)(C)n1ncc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1Br ZINC000854412438 655666036 /nfs/dbraw/zinc/66/60/36/655666036.db2.gz GNNDUKHVJKDHEW-GFCCVEGCSA-N 1 0 387.322 1.977 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1c(Br)nc2n1CCC2 ZINC000854642088 655673179 /nfs/dbraw/zinc/67/31/79/655673179.db2.gz IOQOERDAPAIRCS-NWDGAFQWSA-N 1 0 383.290 1.527 20 0 GDADRO C[NH+](C)CC1CN(C(=O)c2cccn3c(I)cnc23)C1 ZINC000854723695 655675176 /nfs/dbraw/zinc/67/51/76/655675176.db2.gz FGTAKCXUEJBHIZ-UHFFFAOYSA-N 1 0 384.221 1.573 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000854737538 655675457 /nfs/dbraw/zinc/67/54/57/655675457.db2.gz QYXNKUNWKFIMBM-QGZVFWFLSA-N 1 0 385.917 1.806 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1csc(I)n1 ZINC000854744352 655675768 /nfs/dbraw/zinc/67/57/68/655675768.db2.gz WDMPMFDEBSDCFG-VIFPVBQESA-N 1 0 395.266 1.324 20 0 GDADRO Cc1c(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)sc1S(N)(=O)=O ZINC000855286594 655691084 /nfs/dbraw/zinc/69/10/84/655691084.db2.gz UFOHZCLTYHGQDR-SECBINFHSA-N 1 0 379.935 1.960 20 0 GDADRO COc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc1Br ZINC000856253045 655710863 /nfs/dbraw/zinc/71/08/63/655710863.db2.gz DWJKMBJMZBMRBE-LBPRGKRZSA-N 1 0 384.274 1.524 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000856413676 655712806 /nfs/dbraw/zinc/71/28/06/655712806.db2.gz PGPMQMRUGMDFQL-UHFFFAOYSA-N 1 0 385.917 1.839 20 0 GDADRO C[NH+](C)CCn1ccc(NC(=O)c2c(Br)nc3n2CCOC3)n1 ZINC000857086740 655727487 /nfs/dbraw/zinc/72/74/87/655727487.db2.gz FTTACIFBMMAXKV-UHFFFAOYSA-N 1 0 383.250 1.186 20 0 GDADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Br)cnc1Cl)C2 ZINC000857233836 655731566 /nfs/dbraw/zinc/73/15/66/655731566.db2.gz GIQYNYDBSSAOAY-PRHODGIISA-N 1 0 380.695 1.999 20 0 GDADRO O=C(c1nc(Br)cs1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000857764301 655741332 /nfs/dbraw/zinc/74/13/32/655741332.db2.gz ONLHEPVJNFJBCH-SNVBAGLBSA-N 1 0 387.303 1.190 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1nc(Br)cs1 ZINC000857767285 655741344 /nfs/dbraw/zinc/74/13/44/655741344.db2.gz BKODMIKQYKMTLO-SSDOTTSWSA-N 1 0 387.225 1.472 20 0 GDADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2COCCN2C)ccc1S(=O)(=O)C(F)F ZINC000858521315 655748989 /nfs/dbraw/zinc/74/89/89/655748989.db2.gz MKQZROHUAUAIMQ-DGCLKSJQSA-N 1 0 378.441 1.673 20 0 GDADRO C[C@H]1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000858615739 655750415 /nfs/dbraw/zinc/75/04/15/655750415.db2.gz WGGCDFSOOWYIEN-WDEREUQCSA-N 1 0 379.404 1.793 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000858626615 655751112 /nfs/dbraw/zinc/75/11/12/655751112.db2.gz JABKSPQTMYXFBI-KPKJPENVSA-N 1 0 377.304 1.917 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCCOCCC[NH3+] ZINC000858631202 655751368 /nfs/dbraw/zinc/75/13/68/655751368.db2.gz BHYVEKBEIUWCTK-UHFFFAOYSA-N 1 0 385.255 1.241 20 0 GDADRO CCOCCOc1ccc(Br)cc1S(=O)(=O)N(C)C[C@@H](C)[NH3+] ZINC000858640992 655751791 /nfs/dbraw/zinc/75/17/91/655751791.db2.gz XCLRNSXBHSJRIB-LLVKDONJSA-N 1 0 395.319 1.832 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C[C@H](C)[NH3+])c1 ZINC000858642908 655751893 /nfs/dbraw/zinc/75/18/93/655751893.db2.gz RDPSEDJYESDLFP-VIFPVBQESA-N 1 0 379.276 1.594 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])c1 ZINC000858641488 655751919 /nfs/dbraw/zinc/75/19/19/655751919.db2.gz IAGGYPXLSDYYNK-SECBINFHSA-N 1 0 379.276 1.594 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000858644002 655752037 /nfs/dbraw/zinc/75/20/37/655752037.db2.gz MBBHQEWIPSVVLK-CYBMUJFWSA-N 1 0 376.910 1.161 20 0 GDADRO O=S(=O)(c1ccc(Br)nc1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000858936157 655756628 /nfs/dbraw/zinc/75/66/28/655756628.db2.gz UEEOUMXOTDYFHZ-SNVBAGLBSA-N 1 0 378.267 1.842 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1Cl ZINC000859076192 655761879 /nfs/dbraw/zinc/76/18/79/655761879.db2.gz FVPGMGYLUFMOMA-AWEZNQCLSA-N 1 0 379.866 1.109 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cccc(NC(=O)C(F)(F)F)c3)[C@@H]2C1 ZINC000859166799 655767113 /nfs/dbraw/zinc/76/71/13/655767113.db2.gz MDJOQMQYBHVJPG-ZWNOBZJWSA-N 1 0 377.388 1.512 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2c(Cl)nn(C)c2Cl)CC1 ZINC000859198717 655769085 /nfs/dbraw/zinc/76/90/85/655769085.db2.gz IDULGNKNIDEHMH-UHFFFAOYSA-N 1 0 376.288 1.353 20 0 GDADRO CC(C)[C@@H](CNC(=O)c1cc(Br)cnc1F)N1CC[NH+](C)CC1 ZINC000859354011 655778245 /nfs/dbraw/zinc/77/82/45/655778245.db2.gz POEODZWYXHXLML-CQSZACIVSA-N 1 0 387.297 1.985 20 0 GDADRO CCS(=O)(=O)CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000859574509 655787454 /nfs/dbraw/zinc/78/74/54/655787454.db2.gz MMNRXVOJWGTLQP-OAHLLOKOSA-N 1 0 376.316 1.693 20 0 GDADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1cnc(Br)c(Br)c1 ZINC000859660875 655788424 /nfs/dbraw/zinc/78/84/24/655788424.db2.gz UIEOFTPRAJSHJA-QMMMGPOBSA-N 1 0 394.067 1.717 20 0 GDADRO CS(=O)(=O)CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000860049982 655794145 /nfs/dbraw/zinc/79/41/45/655794145.db2.gz LGWACAMCLYMPPC-DGAVXFQQSA-N 1 0 382.448 1.542 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000860197263 655796437 /nfs/dbraw/zinc/79/64/37/655796437.db2.gz SJHNHSOPDJTOKR-DOMZBBRYSA-N 1 0 380.432 2.000 20 0 GDADRO Cc1c(Br)nccc1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000861143619 655814167 /nfs/dbraw/zinc/81/41/67/655814167.db2.gz QMRNKZLQBKNVSW-LBPRGKRZSA-N 1 0 384.278 1.614 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Br)c1)OCC[NH+]1CCC1 ZINC000861388491 655820626 /nfs/dbraw/zinc/82/06/26/655820626.db2.gz UILFHFIYTKUIOG-UHFFFAOYSA-N 1 0 391.287 1.366 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000861538690 655825326 /nfs/dbraw/zinc/82/53/26/655825326.db2.gz FGANBULVMPZYPD-ZETCQYMHSA-N 1 0 393.079 1.956 20 0 GDADRO Cc1cc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])n(-c2cccc(Br)c2)n1 ZINC000861541870 655825433 /nfs/dbraw/zinc/82/54/33/655825433.db2.gz IAPUQGRZMWXEDZ-JTQLQIEISA-N 1 0 394.273 1.687 20 0 GDADRO O=C(NCc1ccc(Cl)s1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861556694 655826107 /nfs/dbraw/zinc/82/61/07/655826107.db2.gz FKCIHZJOZBEKAN-OLZOCXBDSA-N 1 0 384.889 1.868 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])Cc1cccc(Br)c1 ZINC000861756067 655830010 /nfs/dbraw/zinc/83/00/10/655830010.db2.gz XZNQMHRPFXARBK-QWHCGFSZSA-N 1 0 384.318 1.940 20 0 GDADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)c4ncc(C=O)n4c3)[C@@H]2C1 ZINC000861807122 655831244 /nfs/dbraw/zinc/83/12/44/655831244.db2.gz AHUYHWXSZTXMBI-IINYFYTJSA-N 1 0 377.242 1.685 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1(S(C)(=O)=O)CC1 ZINC000862364565 655845133 /nfs/dbraw/zinc/84/51/33/655845133.db2.gz DDAFZHYOEISUHL-BFHYXJOUSA-N 1 0 376.519 1.566 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862384638 655845493 /nfs/dbraw/zinc/84/54/93/655845493.db2.gz FOMJITMGYBCVGU-RYUDHWBXSA-N 1 0 385.477 1.549 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000862402120 655845983 /nfs/dbraw/zinc/84/59/83/655845983.db2.gz ZKRCLFQOGNTICE-NWDGAFQWSA-N 1 0 383.461 1.255 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000863765344 655880373 /nfs/dbraw/zinc/88/03/73/655880373.db2.gz GRKUCLIYFRUWIA-LBPRGKRZSA-N 1 0 382.302 1.993 20 0 GDADRO Cc1[nH]nc(I)c1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000864069107 655889251 /nfs/dbraw/zinc/88/92/51/655889251.db2.gz YBFZDBCCJWAJAJ-VIFPVBQESA-N 1 0 376.242 1.925 20 0 GDADRO Cn1nc(I)cc1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000864078634 655889649 /nfs/dbraw/zinc/88/96/49/655889649.db2.gz YUMFEDOZHLAAFC-ZIAGYGMSSA-N 1 0 388.253 1.439 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cn2ccnc12 ZINC000865059296 655911150 /nfs/dbraw/zinc/91/11/50/655911150.db2.gz MCCDTHKHMDIPTH-STQMWFEESA-N 1 0 379.258 1.690 20 0 GDADRO COCC[N@H+](C)CCNC(=O)[C@@H](NC(C)=O)c1cccc(Br)c1 ZINC000865123717 655912786 /nfs/dbraw/zinc/91/27/86/655912786.db2.gz PCNIJBIRQPRGDF-HNNXBMFYSA-N 1 0 386.290 1.321 20 0 GDADRO O=C(c1cc(Br)cn2ccnc12)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000865198963 655914578 /nfs/dbraw/zinc/91/45/78/655914578.db2.gz NXPOBZNLOQMTKG-LSDHHAIUSA-N 1 0 393.285 1.768 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1)CC(F)F ZINC000865434267 655919791 /nfs/dbraw/zinc/91/97/91/655919791.db2.gz CSHHOUYIIKTXMA-NWDGAFQWSA-N 1 0 385.477 1.549 20 0 GDADRO CC(=O)NCC1CCC([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000865459412 655920313 /nfs/dbraw/zinc/92/03/13/655920313.db2.gz FZJYXDBNJZRUSK-UHFFFAOYSA-N 1 0 381.489 1.535 20 0 GDADRO COc1ncc(Br)cc1C[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000865490257 655920723 /nfs/dbraw/zinc/92/07/23/655920723.db2.gz QMUSITIFKQGIBN-MFKMUULPSA-N 1 0 392.319 1.660 20 0 GDADRO Cc1ccnc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1Br ZINC000865555541 655921846 /nfs/dbraw/zinc/92/18/46/655921846.db2.gz BNKRWLVALSSICJ-NWDGAFQWSA-N 1 0 376.320 1.960 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000865819365 655927867 /nfs/dbraw/zinc/92/78/67/655927867.db2.gz RELPOBZVYIQPRY-UHFFFAOYSA-N 1 0 379.448 1.754 20 0 GDADRO C[NH+]1CCC2(CC1)C[C@H](NS(=O)(=O)N=S(C)(C)=O)c1ccccc1O2 ZINC000866474966 655945538 /nfs/dbraw/zinc/94/55/38/655945538.db2.gz VQEGDNCWLZVGEX-AWEZNQCLSA-N 1 0 387.527 1.537 20 0 GDADRO C[C@H]1C[NH+](Cc2ccc(CNS(=O)(=O)N=S(C)(C)=O)cc2)C[C@H](C)O1 ZINC000866482468 655946201 /nfs/dbraw/zinc/94/62/01/655946201.db2.gz XZDSGSOLWQYNCH-KBPBESRZSA-N 1 0 389.543 1.358 20 0 GDADRO C[C@H](CNS(=O)(=O)N=[S@](C)(=O)c1ccccc1F)C[NH+]1CCCC1 ZINC000866542375 655948545 /nfs/dbraw/zinc/94/85/45/655948545.db2.gz HAJXZOYDKLZDER-JCQPUDPBSA-N 1 0 377.507 1.849 20 0 GDADRO CN(CCN(C)S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)C1CC[NH+](C)CC1 ZINC000866544874 655948714 /nfs/dbraw/zinc/94/87/14/655948714.db2.gz DEVLSBVTTGQGEF-CQSZACIVSA-N 1 0 386.389 1.858 20 0 GDADRO COc1ccc([C@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)c(Br)c1 ZINC000866553816 655949181 /nfs/dbraw/zinc/94/91/81/655949181.db2.gz OCZRHIANZVZRRF-SJCJKPOMSA-N 1 0 399.285 1.736 20 0 GDADRO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccc(F)cc1Br ZINC000866556415 655949450 /nfs/dbraw/zinc/94/94/50/655949450.db2.gz SZVFGRIRZOKHQR-MEDUHNTESA-N 1 0 387.249 1.867 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cn(C)nc1Br)C[NH+]1CCCCC1 ZINC000866557982 655949599 /nfs/dbraw/zinc/94/95/99/655949599.db2.gz STDLECSCRZJMBB-LLVKDONJSA-N 1 0 379.324 1.583 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000866594839 655950981 /nfs/dbraw/zinc/95/09/81/655950981.db2.gz PGMPTJQOZCYYHB-LBPRGKRZSA-N 1 0 389.315 1.766 20 0 GDADRO O=C1NC(=O)C2(CCC([NH2+][C@@H]3COc4cccc(Br)c4C3)CC2)N1 ZINC000866594687 655951036 /nfs/dbraw/zinc/95/10/36/655951036.db2.gz LACRAGKWQVLQCB-GCULGPDHSA-N 1 0 394.269 1.863 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cnn(C)c1Br)[NH+]1CCC(C)CC1 ZINC000866644118 655952232 /nfs/dbraw/zinc/95/22/32/655952232.db2.gz PUMREEXTCMXRMY-NSHDSACASA-N 1 0 379.324 1.581 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2c(F)cccc2Br)C1 ZINC000866714704 655956308 /nfs/dbraw/zinc/95/63/08/655956308.db2.gz VNXBHXSNEUSKSX-VQISRLSMSA-N 1 0 384.249 1.955 20 0 GDADRO C[C@]1(CS(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1(Cl)Cl ZINC000866771329 655961505 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O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866791721 655964089 /nfs/dbraw/zinc/96/40/89/655964089.db2.gz ITUQBFHRSNBEAB-AOOOYVTPSA-N 1 0 384.401 1.105 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH3+])C[C@H]2C)c(Br)cc1F ZINC000866795050 655964437 /nfs/dbraw/zinc/96/44/37/655964437.db2.gz YZAYOYVBFRNHTH-SFYZADRCSA-N 1 0 395.250 1.485 20 0 GDADRO COCCC1(NS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC[NH2+]CC1 ZINC000866821505 655967152 /nfs/dbraw/zinc/96/71/52/655967152.db2.gz HXXNAEDSCZPBJB-UHFFFAOYSA-N 1 0 386.901 1.906 20 0 GDADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2nc(Cl)ncc2s1 ZINC000866832295 655968082 /nfs/dbraw/zinc/96/80/82/655968082.db2.gz DLQKAXBCXPLXNV-SNVBAGLBSA-N 1 0 390.918 1.470 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cnn(C)c2Br)C[C@H]1C ZINC000866853760 655970567 /nfs/dbraw/zinc/97/05/67/655970567.db2.gz AWKUPYRBPMPVDO-GHMZBOCLSA-N 1 0 379.324 1.676 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000867032813 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C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)CC[C@@H]21 ZINC000867812236 656120242 /nfs/dbraw/zinc/12/02/42/656120242.db2.gz IQQWZDYQFBDIIP-WFASDCNBSA-N 1 0 383.901 1.939 20 0 GDADRO C[NH+]1CCN(C2CCN(S(=O)(=O)C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000867817152 656121046 /nfs/dbraw/zinc/12/10/46/656121046.db2.gz WTVZMRXDWKQCJN-AWEZNQCLSA-N 1 0 384.373 1.612 20 0 GDADRO C[C@H]1C[N@H+](CCCNC(=O)Cn2ccc(Br)cc2=O)CCCO1 ZINC000867827961 656122590 /nfs/dbraw/zinc/12/25/90/656122590.db2.gz WKDGTNSRYGHUMR-ZDUSSCGKSA-N 1 0 386.290 1.228 20 0 GDADRO O=C(c1cc(Br)cn2ccnc12)N1CCN(c2ncc[nH]2)CC1 ZINC000867832946 656123174 /nfs/dbraw/zinc/12/31/74/656123174.db2.gz UYVKIOJMMYRTOU-UHFFFAOYSA-N 1 0 375.230 1.782 20 0 GDADRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000867864298 656127177 /nfs/dbraw/zinc/12/71/77/656127177.db2.gz UUNRXLMULGCWCY-UHFFFAOYSA-N 1 0 396.619 1.829 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCC(NC(=O)C2CC2)CC1)c1cccc(Br)c1 ZINC000867945245 656135008 /nfs/dbraw/zinc/13/50/08/656135008.db2.gz BJGCYHGNNZJWSH-OAHLLOKOSA-N 1 0 380.286 1.966 20 0 GDADRO CC(C)[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)N1CCOCC1 ZINC000867964104 656135954 /nfs/dbraw/zinc/13/59/54/656135954.db2.gz ZUFVOYPNWUYXPS-HZPDHXFCSA-N 1 0 384.318 1.922 20 0 GDADRO CC(C)n1ncc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1I ZINC000867965651 656136112 /nfs/dbraw/zinc/13/61/12/656136112.db2.gz GRXMBGBKFBXHEZ-UWVGGRQHSA-N 1 0 376.242 1.891 20 0 GDADRO Cc1csc2nc(CC(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)cn12 ZINC000867973200 656136348 /nfs/dbraw/zinc/13/63/48/656136348.db2.gz SXXCKHROWFNTER-GFCCVEGCSA-N 1 0 375.420 1.199 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C1CC[NH2+]CC1 ZINC000868011189 656137460 /nfs/dbraw/zinc/13/74/60/656137460.db2.gz BJTKVAXSPRYTTE-ZFWWWQNUSA-N 1 0 385.555 1.796 20 0 GDADRO C[C@]1([NH3+])CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000868073105 656139655 /nfs/dbraw/zinc/13/96/55/656139655.db2.gz JVIBUXUMELGONS-KRWDZBQOSA-N 1 0 394.269 1.775 20 0 GDADRO C[C@@]1([NH3+])CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000868075423 656139686 /nfs/dbraw/zinc/13/96/86/656139686.db2.gz IPNUOUUTYGEXRW-OAHLLOKOSA-N 1 0 385.536 1.851 20 0 GDADRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868249542 656146264 /nfs/dbraw/zinc/14/62/64/656146264.db2.gz OWLWSGYBLHAQOQ-ZCFIWIBFSA-N 1 0 379.052 1.614 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000868253567 656146646 /nfs/dbraw/zinc/14/66/46/656146646.db2.gz PNYMDSSVLFEANZ-GHMZBOCLSA-N 1 0 384.274 1.840 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000868255954 656146684 /nfs/dbraw/zinc/14/66/84/656146684.db2.gz RQPXWEFKJPAJDY-VIFPVBQESA-N 1 0 384.152 1.402 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000868256015 656146917 /nfs/dbraw/zinc/14/69/17/656146917.db2.gz UFSMCIWOTFXJPU-GTNSWQLSSA-N 1 0 396.285 1.984 20 0 GDADRO Cc1c(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cnc(Cl)c1Br ZINC000868272185 656148051 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GDADRO C[NH+](C)CCn1cc(C(=O)NC[C@H](O)c2ccccc2Br)cn1 ZINC000868812064 656170230 /nfs/dbraw/zinc/17/02/30/656170230.db2.gz UHHQBZQLBYYKAB-HNNXBMFYSA-N 1 0 381.274 1.671 20 0 GDADRO [NH3+][C@H](C(=O)N1CCN(c2cnccn2)CC1)c1cccc(Br)c1 ZINC000870863608 656251048 /nfs/dbraw/zinc/25/10/48/656251048.db2.gz PVHWWWBWTRVZBM-HNNXBMFYSA-N 1 0 376.258 1.588 20 0 GDADRO CC(=O)N[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000870913007 656255040 /nfs/dbraw/zinc/25/50/40/656255040.db2.gz PIGCQGCKAXHVRZ-XHSDSOJGSA-N 1 0 380.286 1.979 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1I ZINC000870936211 656256557 /nfs/dbraw/zinc/25/65/57/656256557.db2.gz DKDSLLGKMBSWLC-ONGXEEELSA-N 1 0 376.242 1.878 20 0 GDADRO CC(=O)N[C@H](C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)c1cccc(Br)c1 ZINC000870938708 656256805 /nfs/dbraw/zinc/25/68/05/656256805.db2.gz UAYRJLRCOZFRMN-VQISRLSMSA-N 1 0 384.274 1.201 20 0 GDADRO CC(C)n1ncc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1I ZINC000870945312 656258232 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391.269 1.983 20 0 GDADRO CN1CCn2nc(NC(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)cc2C1 ZINC000871010612 656260326 /nfs/dbraw/zinc/26/03/26/656260326.db2.gz GCAMNPKEXJBTKF-INIZCTEOSA-N 1 0 378.274 1.904 20 0 GDADRO O=C(N[C@@H]1COc2cccc(Br)c2C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000871008564 656260340 /nfs/dbraw/zinc/26/03/40/656260340.db2.gz XWPSKUIYUYZXCX-VIFPVBQESA-N 1 0 377.242 1.551 20 0 GDADRO Cn1ncc(I)c1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871158089 656263122 /nfs/dbraw/zinc/26/31/22/656263122.db2.gz NLFUUBFYTIPZQB-UHFFFAOYSA-N 1 0 376.242 1.581 20 0 GDADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ncccc1Br ZINC000871809450 656280674 /nfs/dbraw/zinc/28/06/74/656280674.db2.gz BLQSJJYRCOXKNY-LLVKDONJSA-N 1 0 390.303 1.281 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)nc1Cl ZINC000871810786 656281149 /nfs/dbraw/zinc/28/11/49/656281149.db2.gz PIMPGQRMQXWLBP-JTQLQIEISA-N 1 0 380.297 1.825 20 0 GDADRO Cn1ncc(S(=O)(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1Br ZINC000871811752 656281285 /nfs/dbraw/zinc/28/12/85/656281285.db2.gz RLTAGUVCXIFSKU-GFCCVEGCSA-N 1 0 385.287 1.175 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cnc(Cl)c(Cl)c1 ZINC000871811568 656281357 /nfs/dbraw/zinc/28/13/57/656281357.db2.gz YMJAWZXIWPHBRS-JTQLQIEISA-N 1 0 380.297 1.825 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000871812321 656281552 /nfs/dbraw/zinc/28/15/52/656281552.db2.gz BYOLCMYVEVJCPJ-JSGCOSHPSA-N 1 0 379.404 1.080 20 0 GDADRO COC(=O)c1cc(F)ccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871812503 656281575 /nfs/dbraw/zinc/28/15/75/656281575.db2.gz AILMNXVCMLMPFV-GZMMTYOYSA-N 1 0 384.351 1.370 20 0 GDADRO CN1CCCc2ccc(S(=O)(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc21 ZINC000871813418 656282148 /nfs/dbraw/zinc/28/21/48/656282148.db2.gz IKZNYJXPMHTYBJ-TZMCWYRMSA-N 1 0 377.432 1.827 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccnc2OCC(F)F)C[C@H]1C(F)(F)F ZINC000871813568 656282152 /nfs/dbraw/zinc/28/21/52/656282152.db2.gz UOTVNGXXNIXQRQ-RKDXNWHRSA-N 1 0 389.346 1.483 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1F ZINC000871814096 656282514 /nfs/dbraw/zinc/28/25/14/656282514.db2.gz PEILXSIKIQQHFE-GZMMTYOYSA-N 1 0 384.351 1.370 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1F ZINC000871814097 656282597 /nfs/dbraw/zinc/28/25/97/656282597.db2.gz PEILXSIKIQQHFE-KCJUWKMLSA-N 1 0 384.351 1.370 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c(Cl)s1 ZINC000871820111 656283803 /nfs/dbraw/zinc/28/38/03/656283803.db2.gz NBYMHRCBEJSVTN-CABZTGNLSA-N 1 0 384.932 1.368 20 0 GDADRO CCOC(=O)c1ccsc1NC(=O)CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872153086 656318832 /nfs/dbraw/zinc/31/88/32/656318832.db2.gz YLYREKFELCRKEA-GXSJLCMTSA-N 1 0 379.404 1.932 20 0 GDADRO [NH3+]C[C@H]1CN(CC(=O)NCCOc2cccc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000872151667 656318856 /nfs/dbraw/zinc/31/88/56/656318856.db2.gz XMMOGLOZGMDYAE-FZMZJTMJSA-N 1 0 379.810 1.904 20 0 GDADRO CS(=O)(=O)N(CCN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000872151389 656318878 /nfs/dbraw/zinc/31/88/78/656318878.db2.gz KLWBBUHHMPBYGP-HUUCEWRRSA-N 1 0 379.448 1.517 20 0 GDADRO CN(Cc1ccc(Cl)cc1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872185332 656319429 /nfs/dbraw/zinc/31/94/29/656319429.db2.gz LSYHRSYYPJHMOB-DGCLKSJQSA-N 1 0 377.794 1.894 20 0 GDADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)O)C2=O)ccc1Br ZINC000872205762 656320031 /nfs/dbraw/zinc/32/00/31/656320031.db2.gz HPBUEOGKPVHALE-UKRRQHHQSA-N 1 0 385.302 1.974 20 0 GDADRO O=C1OC[C@@]2(C[NH2+]C[C@@H](O)COc3ccc(Cl)cc3Cl)COCCN12 ZINC000872228505 656320441 /nfs/dbraw/zinc/32/04/41/656320441.db2.gz IRUZKPMRKHCMBD-MLGOLLRUSA-N 1 0 391.251 1.544 20 0 GDADRO CN(C[C@@H](O)C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)C(=O)OC(C)(C)C ZINC000872246836 656321339 /nfs/dbraw/zinc/32/13/39/656321339.db2.gz NUGXTFCKSRHXGX-WIGRTHMWSA-N 1 0 376.519 1.160 20 0 GDADRO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000872305641 656322623 /nfs/dbraw/zinc/32/26/23/656322623.db2.gz LIHJJYRVFPARLN-QWHCGFSZSA-N 1 0 383.290 1.598 20 0 GDADRO O=S(=O)(c1cccc(Br)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872615520 656365847 /nfs/dbraw/zinc/36/58/47/656365847.db2.gz DWOKWDISARQIHO-QWHCGFSZSA-N 1 0 375.288 1.279 20 0 GDADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000872664914 656371946 /nfs/dbraw/zinc/37/19/46/656371946.db2.gz VQVNSMYFMCWFDJ-STQMWFEESA-N 1 0 379.404 1.880 20 0 GDADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ncsc1Br ZINC000872666175 656372135 /nfs/dbraw/zinc/37/21/35/656372135.db2.gz WZCHWJLNRCXLPS-WDEREUQCSA-N 1 0 380.333 1.904 20 0 GDADRO CCOC(=O)[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC000872683815 656373433 /nfs/dbraw/zinc/37/34/33/656373433.db2.gz XZNLBHDHURDINB-CHWSQXEVSA-N 1 0 386.436 1.476 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(CN3c4ccc(Br)cc4C(=O)C3=O)CC[C@@H]21 ZINC000872725271 656375065 /nfs/dbraw/zinc/37/50/65/656375065.db2.gz RRUPDODKFKWKGN-RISCZKNCSA-N 1 0 378.270 1.962 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Cl)n1 ZINC000873108322 656386770 /nfs/dbraw/zinc/38/67/70/656386770.db2.gz XBIDASXYONLYNO-JGVFFNPUSA-N 1 0 380.754 1.278 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C[C@@H]1C(F)(F)F ZINC000873108352 656387110 /nfs/dbraw/zinc/38/71/10/656387110.db2.gz XGFYXJLUEKZHPU-WDSKDSINSA-N 1 0 390.309 1.696 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000873152278 656388438 /nfs/dbraw/zinc/38/84/38/656388438.db2.gz JATWSWNSQAVGDV-VIFPVBQESA-N 1 0 383.255 1.082 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873301473 656390140 /nfs/dbraw/zinc/39/01/40/656390140.db2.gz WEKXECSTJMEDSQ-PWSUYJOCSA-N 1 0 379.404 1.999 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000873712229 656405874 /nfs/dbraw/zinc/40/58/74/656405874.db2.gz ULVYUZCAJOMJBV-LLVKDONJSA-N 1 0 384.274 1.806 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873716146 656406133 /nfs/dbraw/zinc/40/61/33/656406133.db2.gz FZRVDTCOVVBBFP-NSHDSACASA-N 1 0 396.285 1.923 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2)C1CC1 ZINC000873718999 656406981 /nfs/dbraw/zinc/40/69/81/656406981.db2.gz YASZPADYVSJZMT-UHFFFAOYSA-N 1 0 396.285 1.923 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000873893117 656426808 /nfs/dbraw/zinc/42/68/08/656426808.db2.gz WIRQWYIXEMDNRP-KRWDZBQOSA-N 1 0 396.285 1.950 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000873922981 656429459 /nfs/dbraw/zinc/42/94/59/656429459.db2.gz QPYCZYVBGVYQTL-LBPRGKRZSA-N 1 0 384.274 1.949 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(N)nc(Br)c3)nc2)CC1 ZINC000874069271 656440146 /nfs/dbraw/zinc/44/01/46/656440146.db2.gz UTLICVSEEMOYES-UHFFFAOYSA-N 1 0 391.273 1.825 20 0 GDADRO COc1ccc(C(=O)NCC[N@H+](C)CCOCCO)c(Br)c1 ZINC000922123485 656458433 /nfs/dbraw/zinc/45/84/33/656458433.db2.gz 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390.299 1.677 20 0 GDADRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000922636470 656498416 /nfs/dbraw/zinc/49/84/16/656498416.db2.gz CONGJZOIJZMYHA-UHFFFAOYSA-N 1 0 375.292 1.514 20 0 GDADRO Cc1csc([C@H]2CCN(C(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)n1 ZINC000875073452 656505951 /nfs/dbraw/zinc/50/59/51/656505951.db2.gz FVRKHWWLLQKHJV-GUYCJALGSA-N 1 0 382.555 1.321 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)N1CC(CNC(=O)C(F)(F)F)C1)c1ccsc1 ZINC000875072217 656506027 /nfs/dbraw/zinc/50/60/27/656506027.db2.gz SSPJDEHHCQXBGH-GFCCVEGCSA-N 1 0 378.420 1.671 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)s1 ZINC000922803129 656508573 /nfs/dbraw/zinc/50/85/73/656508573.db2.gz VMLRDMRPEGFVDD-UHFFFAOYSA-N 1 0 391.316 1.633 20 0 GDADRO C[S@@](=N)(=O)N1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000875102554 656509658 /nfs/dbraw/zinc/50/96/58/656509658.db2.gz YZHUMLIVQOWOOG-VWLOTQADSA-N 1 0 389.591 1.267 20 0 GDADRO Cn1cc(C[NH2+][C@H]2C[C@@H](O)C23CCOCC3)c(I)n1 ZINC000923019394 656522479 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GDADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448287 656553714 /nfs/dbraw/zinc/55/37/14/656553714.db2.gz BCZLSIKZHBKHBB-CABCVRRESA-N 1 0 382.302 1.805 20 0 GDADRO O=S1(=O)C[C@H]2[C@@H](C1)[NH2+]CCN2CCCOc1cccc(C(F)(F)F)c1 ZINC000923523675 656559091 /nfs/dbraw/zinc/55/90/91/656559091.db2.gz XNMWZFQELBRPQD-CABCVRRESA-N 1 0 378.416 1.545 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Br)cn1)C[NH+]1CCCCC1 ZINC000875769361 656560012 /nfs/dbraw/zinc/56/00/12/656560012.db2.gz MWNCCBCYKYSHJB-ZDUSSCGKSA-N 1 0 397.317 1.699 20 0 GDADRO CC[C@@H]1CN(C(=O)NCc2cnc(Br)cn2)CC[N@@H+]1C[C@@H](C)O ZINC000923533909 656565266 /nfs/dbraw/zinc/56/52/66/656565266.db2.gz LIEXPBBPBGCOSL-DGCLKSJQSA-N 1 0 386.294 1.226 20 0 GDADRO O=S(=O)(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)C1C[NH2+]C1 ZINC000923595512 656574327 /nfs/dbraw/zinc/57/43/27/656574327.db2.gz VFEODWGDSFBWRI-UHFFFAOYSA-N 1 0 378.416 1.645 20 0 GDADRO O=S(=O)(N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CCC[NH2+]C1 ZINC000923610151 656576593 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COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](CC[NH3+])C2)c(Br)c1 ZINC000923696844 656591678 /nfs/dbraw/zinc/59/16/78/656591678.db2.gz FUCPWZWUXCPPEL-JTQLQIEISA-N 1 0 391.287 1.595 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923699552 656592661 /nfs/dbraw/zinc/59/26/61/656592661.db2.gz KXNSREODMHYRHA-WDEREUQCSA-N 1 0 379.404 1.793 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923714962 656594574 /nfs/dbraw/zinc/59/45/74/656594574.db2.gz MQVPZBHHNXPXCY-WDEREUQCSA-N 1 0 398.428 1.210 20 0 GDADRO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c(F)c1 ZINC000923730712 656595528 /nfs/dbraw/zinc/59/55/28/656595528.db2.gz HPLZVZFNKNQQCH-OAHLLOKOSA-N 1 0 391.490 1.104 20 0 GDADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)Cc1ccc(Br)s1 ZINC000876473617 656606710 /nfs/dbraw/zinc/60/67/10/656606710.db2.gz XWTHAKAEIFAKFW-HNNXBMFYSA-N 1 0 391.331 1.859 20 0 GDADRO COC[C@@]1(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)C[NH2+]CCO1 ZINC000876616044 656617847 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CC[C@@H](Cc1ccccc1Br)NC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876695511 656625583 /nfs/dbraw/zinc/62/55/83/656625583.db2.gz AMQROYAVKJNFMP-WMLDXEAASA-N 1 0 385.302 1.891 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)CC[C@H]21 ZINC000876876612 656636419 /nfs/dbraw/zinc/63/64/19/656636419.db2.gz RYTOLQZOXAFXQY-QLFBSQMISA-N 1 0 375.535 1.693 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cc(N)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000876873899 656636453 /nfs/dbraw/zinc/63/64/53/656636453.db2.gz URJZATPJIQLXSY-AWEZNQCLSA-N 1 0 387.933 1.893 20 0 GDADRO CN(C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000876889866 656637169 /nfs/dbraw/zinc/63/71/69/656637169.db2.gz SSHRJIDWLNWWBH-DCAQKATOSA-N 1 0 376.201 1.274 20 0 GDADRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000876898514 656638119 /nfs/dbraw/zinc/63/81/19/656638119.db2.gz BXXFHYSVSKQLNL-OLZOCXBDSA-N 1 0 379.404 1.245 20 0 GDADRO Nc1cc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc(Br)n1 ZINC000876918222 656639659 /nfs/dbraw/zinc/63/96/59/656639659.db2.gz IOMQDWAXESTKPP-SWLSCSKDSA-N 1 0 383.290 1.785 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Cn3ccc(Br)cc3=O)C2)C1 ZINC000876945269 656641879 /nfs/dbraw/zinc/64/18/79/656641879.db2.gz WSJQYFKEMRNQNF-NWANDNLSSA-N 1 0 398.301 1.356 20 0 GDADRO O=C(NCC[NH2+]CC1CCS(=O)(=O)CC1)c1ccc(Br)cc1 ZINC000876958223 656642347 /nfs/dbraw/zinc/64/23/47/656642347.db2.gz WAQPVDXKPUGDOF-UHFFFAOYSA-N 1 0 389.315 1.593 20 0 GDADRO CC(C)OC(=O)N1CCC([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000877040262 656648688 /nfs/dbraw/zinc/64/86/88/656648688.db2.gz BMEPSTVQZZJKKS-UHFFFAOYSA-N 1 0 375.535 1.836 20 0 GDADRO C[NH+](C)[C@]1(CN2C(=O)N[C@H]([C@H](O)c3ccc(Cl)cc3)C2=O)CCSC1 ZINC000924480939 656651486 /nfs/dbraw/zinc/65/14/86/656651486.db2.gz BWZYFVDXDVGHIH-CPUCHLNUSA-N 1 0 383.901 1.731 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000877103549 656653075 /nfs/dbraw/zinc/65/30/75/656653075.db2.gz OOTTYUVGVUXECM-MNOVXSKESA-N 1 0 377.304 1.665 20 0 GDADRO O=S1(=O)CCC(C[NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000877110347 656653555 /nfs/dbraw/zinc/65/35/55/656653555.db2.gz RGTGOJCIURJJIC-UHFFFAOYSA-N 1 0 385.961 1.876 20 0 GDADRO CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CCC1 ZINC000877119007 656654325 /nfs/dbraw/zinc/65/43/25/656654325.db2.gz ROLOXRIXHRWOGK-AWEZNQCLSA-N 1 0 375.535 1.553 20 0 GDADRO C[NH+](C)C[C@H](N)C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000877139714 656656324 /nfs/dbraw/zinc/65/63/24/656656324.db2.gz XSGDLEMAIKTTDC-AWEZNQCLSA-N 1 0 382.302 1.733 20 0 GDADRO O=C(Cc1cccs1)Nc1nc(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000877169835 656658376 /nfs/dbraw/zinc/65/83/76/656658376.db2.gz HIXWRVRQXJXYDZ-TXEJJXNPSA-N 1 0 376.507 1.891 20 0 GDADRO C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000877255115 656661435 /nfs/dbraw/zinc/66/14/35/656661435.db2.gz PIEGUIIONRAMJJ-JTQLQIEISA-N 1 0 394.324 1.776 20 0 GDADRO COC[C@]1(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C[NH2+]CCO1 ZINC000877261430 656661452 /nfs/dbraw/zinc/66/14/52/656661452.db2.gz NBWZNZPVFRYVGB-DLTWYDFYSA-N 1 0 381.270 1.208 20 0 GDADRO CN(CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)C(=O)c1ccc(Br)s1 ZINC000877282224 656663937 /nfs/dbraw/zinc/66/39/37/656663937.db2.gz PMONVZIBNNFONP-MNOVXSKESA-N 1 0 386.315 1.936 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)C[C@H]1C(F)(F)F ZINC000877364128 656670466 /nfs/dbraw/zinc/67/04/66/656670466.db2.gz KRTIJWOWTUWBLN-JHJVBQTASA-N 1 0 379.448 1.674 20 0 GDADRO C[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000877366185 656670817 /nfs/dbraw/zinc/67/08/17/656670817.db2.gz IBCDDZOQJUJNJH-NRUUGDAUSA-N 1 0 382.379 1.584 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000877369141 656671376 /nfs/dbraw/zinc/67/13/76/656671376.db2.gz XWSYWWLNHAVTFR-KWQFWETISA-N 1 0 384.807 1.953 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000877369140 656671440 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WYMMGKSZGYKNOM-UONOGXRCSA-N 1 0 388.555 1.801 20 0 GDADRO CC(C)(C)OC(=O)NCC1([NH2+]CC2CCS(=O)(=O)CC2)CCOCC1 ZINC000877656837 656686161 /nfs/dbraw/zinc/68/61/61/656686161.db2.gz SBLQGFBGNHLXSA-UHFFFAOYSA-N 1 0 376.519 1.475 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CC(C)(C)CS(N)(=O)=O)cc1Br ZINC000877734608 656690002 /nfs/dbraw/zinc/69/00/02/656690002.db2.gz XYAHTOHQLKIRPH-UHFFFAOYSA-N 1 0 393.303 1.640 20 0 GDADRO COC(=O)CN1CCC([NH2+][C@H]2COc3cccc(Br)c3C2)CC1 ZINC000877758982 656690259 /nfs/dbraw/zinc/69/02/59/656690259.db2.gz PSMPZSMWACRCDB-CYBMUJFWSA-N 1 0 383.286 1.980 20 0 GDADRO CO[C@@H](C[NH2+]Cc1c(I)cnn1C)C1CCOCC1 ZINC000877776489 656691682 /nfs/dbraw/zinc/69/16/82/656691682.db2.gz MRUHNUBYNPNGAE-ZDUSSCGKSA-N 1 0 379.242 1.556 20 0 GDADRO Cn1ncc(I)c1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000877776289 656691882 /nfs/dbraw/zinc/69/18/82/656691882.db2.gz DRVNIOYNFWNOCN-UHFFFAOYSA-N 1 0 392.285 1.350 20 0 GDADRO C[NH+](C)C[C@@H]1NC(=O)N(Cc2ccn(-c3ccc(Br)cc3)n2)C1=O ZINC000925128520 656695196 /nfs/dbraw/zinc/69/51/96/656695196.db2.gz KJEHVQODGVLBDB-AWEZNQCLSA-N 1 0 392.257 1.617 20 0 GDADRO C[C@H]1[C@H](NC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)CC[N@@H+]1C ZINC000925316525 656705294 /nfs/dbraw/zinc/70/52/94/656705294.db2.gz AEKNXTOLNYVACR-GXTWGEPZSA-N 1 0 386.543 1.293 20 0 GDADRO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)C1(Br)CC1 ZINC000925408268 656709918 /nfs/dbraw/zinc/70/99/18/656709918.db2.gz IYPCNQFUWMZPKW-LBPRGKRZSA-N 1 0 391.331 1.705 20 0 GDADRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000925427282 656711295 /nfs/dbraw/zinc/71/12/95/656711295.db2.gz ZMIPMNHXHQOVOI-KGLIPLIRSA-N 1 0 381.274 1.336 20 0 GDADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)C1(Br)CC1 ZINC000925433950 656711961 /nfs/dbraw/zinc/71/19/61/656711961.db2.gz CRHPJIFQSLELDD-LBPRGKRZSA-N 1 0 395.363 1.865 20 0 GDADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000925469580 656713809 /nfs/dbraw/zinc/71/38/09/656713809.db2.gz XSJCVBNNFCHCDF-CYBMUJFWSA-N 1 0 377.304 1.872 20 0 GDADRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000925665303 656715879 /nfs/dbraw/zinc/71/58/79/656715879.db2.gz LDNZVTRCVRTTFG-LBPRGKRZSA-N 1 0 380.388 1.473 20 0 GDADRO Cn1ncc(Br)c1CC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000878303344 656717730 /nfs/dbraw/zinc/71/77/30/656717730.db2.gz OBGZIQKOGKQMDS-UHFFFAOYSA-N 1 0 392.301 1.901 20 0 GDADRO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)c1cc(Br)no1 ZINC000878311292 656718019 /nfs/dbraw/zinc/71/80/19/656718019.db2.gz HHWVZTMFLOYOAN-ZDUSSCGKSA-N 1 0 375.311 1.428 20 0 GDADRO C[C@H](CNC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)C[NH+]1CCCC1 ZINC000878313960 656718233 /nfs/dbraw/zinc/71/82/33/656718233.db2.gz NULAWGHVVHUPJM-ZIAGYGMSSA-N 1 0 385.555 1.436 20 0 GDADRO C[C@@H]1CN(C[C@H](O)c2cc(Br)no2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878326235 656718782 /nfs/dbraw/zinc/71/87/82/656718782.db2.gz YCIBNBFVOKRKTO-RDBSUJKOSA-N 1 0 387.322 1.428 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000925787992 656719221 /nfs/dbraw/zinc/71/92/21/656719221.db2.gz FDWRLDDUSUQCGN-KOLCDFICSA-N 1 0 379.345 1.864 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000925789500 656719811 /nfs/dbraw/zinc/71/98/11/656719811.db2.gz VGYLCACZQDGMRR-KBPBESRZSA-N 1 0 387.343 1.673 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1Br ZINC000925798258 656721699 /nfs/dbraw/zinc/72/16/99/656721699.db2.gz PLSKKMJQMJOOCB-DGCLKSJQSA-N 1 0 391.331 1.885 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)NCC2CC[NH+](CC)CC2)cs1)C(N)=O ZINC000878403216 656723617 /nfs/dbraw/zinc/72/36/17/656723617.db2.gz XROICZMEPWNLQH-CQSZACIVSA-N 1 0 384.571 1.890 20 0 GDADRO COCCO[C@H]1C[C@H](CO)C[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000878521792 656729698 /nfs/dbraw/zinc/72/96/98/656729698.db2.gz DOVABXLKRYUGCP-JQFCIGGWSA-N 1 0 388.302 1.828 20 0 GDADRO O=C(CN1CCCCS1(=O)=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000878545410 656732443 /nfs/dbraw/zinc/73/24/43/656732443.db2.gz JZJAZVFJIITWJE-OAHLLOKOSA-N 1 0 385.555 1.502 20 0 GDADRO Cc1nccc(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c1Br ZINC000926095835 656735972 /nfs/dbraw/zinc/73/59/72/656735972.db2.gz JQCSOOCVLUFVIG-LBPRGKRZSA-N 1 0 383.290 1.936 20 0 GDADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CCNCC[NH2+]CC1 ZINC000926125729 656736913 /nfs/dbraw/zinc/73/69/13/656736913.db2.gz LUNMIZMSDSBBLM-UHFFFAOYSA-N 1 0 393.289 1.662 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1c(Br)cnn1C)C2 ZINC000926147106 656738616 /nfs/dbraw/zinc/73/86/16/656738616.db2.gz JSOJXOCJGCHBTA-NCZKRNLISA-N 1 0 385.306 1.392 20 0 GDADRO [NH3+]C[C@H](NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)C(F)(F)F ZINC000926168614 656739709 /nfs/dbraw/zinc/73/97/09/656739709.db2.gz JFGAPYCIIVKFAG-BDAKNGLRSA-N 1 0 382.184 1.975 20 0 GDADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1c(Br)cnn1C)C2 ZINC000926201090 656740716 /nfs/dbraw/zinc/74/07/16/656740716.db2.gz VVAKCBNISWFNTG-IRWJRLHMSA-N 1 0 399.333 1.321 20 0 GDADRO CC1(C)CN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C[C@@H]1[NH3+] ZINC000926193342 656740850 /nfs/dbraw/zinc/74/08/50/656740850.db2.gz NABIZKMFALYWAI-NSHDSACASA-N 1 0 383.246 1.981 20 0 GDADRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000926213179 656741406 /nfs/dbraw/zinc/74/14/06/656741406.db2.gz GJSYGGSRXQRHRZ-ZIAGYGMSSA-N 1 0 375.535 1.503 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cs1)C(N)=O ZINC000878774554 656747357 /nfs/dbraw/zinc/74/73/57/656747357.db2.gz BMNHYLXIBGFKLR-GXTWGEPZSA-N 1 0 382.555 1.738 20 0 GDADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000926404559 656752413 /nfs/dbraw/zinc/75/24/13/656752413.db2.gz YWZYIIDVCUFKIL-SWLSCSKDSA-N 1 0 395.301 1.705 20 0 GDADRO Cc1cc2c(cc1Br)CN(C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)CC2 ZINC000926439530 656755366 /nfs/dbraw/zinc/75/53/66/656755366.db2.gz ICIHIFNVHYDKQV-SFHVURJKSA-N 1 0 394.313 1.840 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000926511658 656759488 /nfs/dbraw/zinc/75/94/88/656759488.db2.gz BUWJSIZIWPDKSG-UONOGXRCSA-N 1 0 375.535 1.836 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926543515 656764309 /nfs/dbraw/zinc/76/43/09/656764309.db2.gz REWOJWSTGAIRJC-IAQYHMDHSA-N 1 0 385.302 1.723 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CCCC[C@H]2C[NH+](C)C)cs1)C(N)=O ZINC000879019676 656768862 /nfs/dbraw/zinc/76/88/62/656768862.db2.gz XMPFCJYOLYSCNV-UONOGXRCSA-N 1 0 384.571 1.984 20 0 GDADRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC000879020040 656768879 /nfs/dbraw/zinc/76/88/79/656768879.db2.gz ZNDAGWNHXWQXFQ-DZGCQCFKSA-N 1 0 385.555 1.530 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000926783204 656779632 /nfs/dbraw/zinc/77/96/32/656779632.db2.gz DIUJUXRSMFZSBK-KGLIPLIRSA-N 1 0 377.551 1.987 20 0 GDADRO CCO[C@H](CNC(=O)N(C)CCn1cc(Br)cn1)C[NH+](C)C ZINC000926848402 656780852 /nfs/dbraw/zinc/78/08/52/656780852.db2.gz ZBGVRUVHLQEPNY-CYBMUJFWSA-N 1 0 376.299 1.254 20 0 GDADRO CCO[C@H](CNC(=O)NCC1(n2cc(Br)cn2)CC1)C[NH+](C)C ZINC000926848712 656780881 /nfs/dbraw/zinc/78/08/81/656780881.db2.gz DPCFVZVGWGTDPH-CYBMUJFWSA-N 1 0 388.310 1.401 20 0 GDADRO Cn1cc(C(=O)NC[C@@H]2CCCN2C[C@@H](O)c2cc(Br)no2)cn1 ZINC000879188487 656780914 /nfs/dbraw/zinc/78/09/14/656780914.db2.gz MOMIXFKOIOVRNC-NWDGAFQWSA-N 1 0 398.261 1.098 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@H]1CCNC1=O ZINC000879204311 656782371 /nfs/dbraw/zinc/78/23/71/656782371.db2.gz SGKUDOAUSHTCQG-CQSZACIVSA-N 1 0 382.302 1.866 20 0 GDADRO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000926955045 656782365 /nfs/dbraw/zinc/78/23/65/656782365.db2.gz WILHGNOCWSCGPU-CYBMUJFWSA-N 1 0 376.544 1.658 20 0 GDADRO Cn1ncc(Br)c1CC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000879338820 656788394 /nfs/dbraw/zinc/78/83/94/656788394.db2.gz AYQAFYCZMUQASZ-UHFFFAOYSA-N 1 0 396.289 1.377 20 0 GDADRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000927042006 656788705 /nfs/dbraw/zinc/78/87/05/656788705.db2.gz TXZYGNJYJUHEPA-HLVVYCRESA-N 1 0 375.487 1.988 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C2(c3ncc(Br)cn3)CCC2)CC1 ZINC000927143861 656797069 /nfs/dbraw/zinc/79/70/69/656797069.db2.gz IOSDLZNTGNOPBN-UHFFFAOYSA-N 1 0 389.319 1.632 20 0 GDADRO COc1cccc([C@@H]2CN(Cc3csc(CS(C)(=O)=O)n3)CC[NH2+]2)c1 ZINC000879525492 656800811 /nfs/dbraw/zinc/80/08/11/656800811.db2.gz MFEHUJSGNFJQAY-INIZCTEOSA-N 1 0 381.523 1.843 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c1 ZINC000879559599 656805711 /nfs/dbraw/zinc/80/57/11/656805711.db2.gz PDRBXNDQZNWIAR-UONOGXRCSA-N 1 0 383.539 1.560 20 0 GDADRO C[NH+]1CCN(C2CCN(CCS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000879590676 656807623 /nfs/dbraw/zinc/80/76/23/656807623.db2.gz HYADOMWHMIGUFR-UHFFFAOYSA-N 1 0 385.961 1.826 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc(Br)nn2C)CC1 ZINC000879641834 656813498 /nfs/dbraw/zinc/81/34/98/656813498.db2.gz AGFPJWNXYCMHKG-GFCCVEGCSA-N 1 0 387.326 1.578 20 0 GDADRO CCN(CCC[NH+]1CCCC1)C(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000879706031 656822424 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O=C(CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)Nc1ccccc1Br ZINC000934258213 657348708 /nfs/dbraw/zinc/34/87/08/657348708.db2.gz DLGJALGXZBYNEG-HOTGVXAUSA-N 1 0 382.302 1.919 20 0 GDADRO C[C@@H]1C[C@H](C)N(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)C[C@H]1C[NH3+] ZINC000884346959 657349513 /nfs/dbraw/zinc/34/95/13/657349513.db2.gz FNHLXNPYZKXGLW-ZOBORPQBSA-N 1 0 385.555 1.420 20 0 GDADRO Cn1ncc(I)c1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934271373 657349614 /nfs/dbraw/zinc/34/96/14/657349614.db2.gz GMJCELHYMKDVLH-CHWSQXEVSA-N 1 0 390.269 1.056 20 0 GDADRO COCC[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1I ZINC000884397984 657352790 /nfs/dbraw/zinc/35/27/90/657352790.db2.gz SRVXACFOYXBBGN-NSHDSACASA-N 1 0 382.629 1.925 20 0 GDADRO Cn1ncc(Br)c1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000884404400 657353596 /nfs/dbraw/zinc/35/35/96/657353596.db2.gz KSAKVJIIDKKGAU-UKRRQHHQSA-N 1 0 377.286 1.987 20 0 GDADRO Cc1cc(NC(=O)C[NH2+][C@@](C)(CO)c2cccc(Br)c2)n(C)n1 ZINC000934497892 657364188 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GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000884990111 657396956 /nfs/dbraw/zinc/39/69/56/657396956.db2.gz BAVUWZIVURBWJJ-JTQLQIEISA-N 1 0 375.803 1.768 20 0 GDADRO COCC[N@H+](C)CCOc1cccc(CNS(=O)(=O)c2ccns2)c1 ZINC000884998503 657399680 /nfs/dbraw/zinc/39/96/80/657399680.db2.gz SFNLGPUIXJYCSK-UHFFFAOYSA-N 1 0 385.511 1.579 20 0 GDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(S(N)(=O)=O)oc3Cl)C2)CC1 ZINC000935086112 657400172 /nfs/dbraw/zinc/40/01/72/657400172.db2.gz GOWKRJHDCOPMQT-LLVKDONJSA-N 1 0 375.878 1.384 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000885100198 657418974 /nfs/dbraw/zinc/41/89/74/657418974.db2.gz DPTMUFIFKHARAQ-SMDDNHRTSA-N 1 0 380.286 1.545 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000885101557 657419586 /nfs/dbraw/zinc/41/95/86/657419586.db2.gz BAHRUKZQPLNDRE-KRWDZBQOSA-N 1 0 394.313 1.794 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CC[C@H]1[NH3+] ZINC000885109386 657421728 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[NH3+][C@@H](c1cn(C[C@@H]2C[C@@H]3COC[C@H]3O2)nn1)c1ccc(Br)cc1 ZINC000900623464 659127844 /nfs/dbraw/zinc/12/78/44/659127844.db2.gz URNYLBPGKBCOSZ-WXYCVUISSA-N 1 0 379.258 1.893 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000900696010 659137977 /nfs/dbraw/zinc/13/79/77/659137977.db2.gz VQGPEOJGLFVDLF-UHFFFAOYSA-N 1 0 385.555 1.616 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2I)C[C@@H]1C ZINC000900802475 659147043 /nfs/dbraw/zinc/14/70/43/659147043.db2.gz VDPZDEFOXFIUDM-QWRGUYRKSA-N 1 0 390.269 1.970 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cnc(NC2CC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000900979685 659176443 /nfs/dbraw/zinc/17/64/43/659176443.db2.gz DCDWOTPIRQNTTO-ZDUSSCGKSA-N 1 0 386.543 1.298 20 0 GDADRO C[C@@H]1CN(C(=O)Cn2nc(Br)c(Br)n2)[C@@H](C)C[N@@H+]1C ZINC000901284329 659208073 /nfs/dbraw/zinc/20/80/73/659208073.db2.gz ARICKENGKWEWFC-SFYZADRCSA-N 1 0 395.099 1.354 20 0 GDADRO CN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000901314686 659209528 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CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c(F)c1 ZINC000903202487 659301336 /nfs/dbraw/zinc/30/13/36/659301336.db2.gz CVILBJSDAOIMOG-UHFFFAOYSA-N 1 0 391.490 1.056 20 0 GDADRO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000903235197 659310263 /nfs/dbraw/zinc/31/02/63/659310263.db2.gz TXZKDASDINMTPY-TUAOUCFPSA-N 1 0 375.516 1.688 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903290943 659312382 /nfs/dbraw/zinc/31/23/82/659312382.db2.gz JYDDMOCGCPLWQR-LBPRGKRZSA-N 1 0 396.481 1.759 20 0 GDADRO CC[C@H](C[C@@](C)(O)CC)[NH2+][C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000903452772 659316137 /nfs/dbraw/zinc/31/61/37/659316137.db2.gz QMDMUCMXBGAWBT-HNJNVOIISA-N 1 0 375.531 1.805 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903511097 659321585 /nfs/dbraw/zinc/32/15/85/659321585.db2.gz OHUQBFHQONEVOP-UHFFFAOYSA-N 1 0 391.287 1.691 20 0 GDADRO O=S(=O)(Cc1cc2c(cc1Br)OCO2)NCC[C@H]1CC[NH2+]C1 ZINC000903512707 659322030 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[NH3+][C@H]1CN(CC(=O)Nc2ccc(Br)cn2)CC[C@@H]1C(F)(F)F ZINC000903539953 659333792 /nfs/dbraw/zinc/33/37/92/659333792.db2.gz RXMKGDWLQGKXLV-UWVGGRQHSA-N 1 0 381.196 1.994 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)nc1Cl ZINC000903545261 659335867 /nfs/dbraw/zinc/33/58/67/659335867.db2.gz IGTKTUPHEWOOEW-JTQLQIEISA-N 1 0 380.297 1.825 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cnc(Cl)c(Cl)c1 ZINC000903545415 659336227 /nfs/dbraw/zinc/33/62/27/659336227.db2.gz QSPGIAGZTBOQLF-JTQLQIEISA-N 1 0 380.297 1.825 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 ZINC000903555317 659339901 /nfs/dbraw/zinc/33/99/01/659339901.db2.gz JBUPXXTYSWSNFH-QGZVFWFLSA-N 1 0 386.539 1.178 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2C[NH2+]CC2(C)C)c(Br)o1 ZINC000903554682 659339977 /nfs/dbraw/zinc/33/99/77/659339977.db2.gz UXPBCTQUJVKMMA-VIFPVBQESA-N 1 0 381.248 1.105 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)C[C@H]1CC[NH3+] ZINC000903558799 659340760 /nfs/dbraw/zinc/34/07/60/659340760.db2.gz POOVQMKOOPCEOF-GHMZBOCLSA-N 1 0 382.454 1.288 20 0 GDADRO O=S(=O)(c1ccc(Cl)nc1F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562421 659341728 /nfs/dbraw/zinc/34/17/28/659341728.db2.gz MSMQDWWHRWXRDN-BETUJISGSA-N 1 0 388.896 1.463 20 0 GDADRO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903574467 659346086 /nfs/dbraw/zinc/34/60/86/659346086.db2.gz RWMMKIVZLGRFKG-CJNGLKHVSA-N 1 0 382.873 1.608 20 0 GDADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000903575753 659347098 /nfs/dbraw/zinc/34/70/98/659347098.db2.gz VDOGSZLEDZGWED-AWEZNQCLSA-N 1 0 394.946 1.647 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnn(C3CCOCC3)c2)CC[C@@H]1C(F)(F)F ZINC000903578361 659349570 /nfs/dbraw/zinc/34/95/70/659349570.db2.gz GLTWMMYVMFFLEO-STQMWFEESA-N 1 0 382.408 1.135 20 0 GDADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903578779 659349784 /nfs/dbraw/zinc/34/97/84/659349784.db2.gz JMDNWFZDJYJVQQ-GXSJLCMTSA-N 1 0 384.351 1.513 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903579702 659350244 /nfs/dbraw/zinc/35/02/44/659350244.db2.gz PBYWBJFDQWIHCR-OLZOCXBDSA-N 1 0 380.388 1.764 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1C(F)(F)F ZINC000903581201 659351854 /nfs/dbraw/zinc/35/18/54/659351854.db2.gz AQGLQCWXAXJHLT-RNFRBKRXSA-N 1 0 380.314 1.339 20 0 GDADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903589221 659355959 /nfs/dbraw/zinc/35/59/59/659355959.db2.gz VLWWOLZQNJGAHJ-RULNZOCKSA-N 1 0 377.507 1.904 20 0 GDADRO CN(C)[S@@](=O)(=NS(=O)(=O)N1CCC([NH+]2CCC2)CC1)c1ccccc1 ZINC000903649560 659368391 /nfs/dbraw/zinc/36/83/91/659368391.db2.gz UGUSFNVJYXSSDQ-DEOSSOPVSA-N 1 0 386.543 1.405 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)C[C@H]1CC[NH3+] ZINC000903720992 659377661 /nfs/dbraw/zinc/37/76/61/659377661.db2.gz WLEFSMHWNFSDSU-TZMCWYRMSA-N 1 0 382.302 1.851 20 0 GDADRO CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903758982 659378953 /nfs/dbraw/zinc/37/89/53/659378953.db2.gz MANJLBQTHCCQJE-RNJOBUHISA-N 1 0 381.464 1.857 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000903801382 659381760 /nfs/dbraw/zinc/38/17/60/659381760.db2.gz NWJWSDRPNSUZSK-ZOWXZIJZSA-N 1 0 395.301 1.703 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1cc(Br)ccc1Cl ZINC000903967632 659390354 /nfs/dbraw/zinc/39/03/54/659390354.db2.gz DQZPZQUXILHGFB-GFCCVEGCSA-N 1 0 381.723 1.969 20 0 GDADRO CCOc1cc(C[NH2+]CC[C@H]2CNCCS2(=O)=O)ccc1OC(F)F ZINC000903968915 659390711 /nfs/dbraw/zinc/39/07/11/659390711.db2.gz QERXLMGZMDGDMF-ZDUSSCGKSA-N 1 0 378.441 1.553 20 0 GDADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000903969314 659390928 /nfs/dbraw/zinc/39/09/28/659390928.db2.gz WOIJYIUKWFDVKR-LLVKDONJSA-N 1 0 381.723 1.969 20 0 GDADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903969460 659391221 /nfs/dbraw/zinc/39/12/21/659391221.db2.gz GEZBCUWKPKSFIM-AAEUAGOBSA-N 1 0 393.322 1.886 20 0 GDADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CNCCS2(=O)=O)c(Cl)c1 ZINC000903970219 659391773 /nfs/dbraw/zinc/39/17/73/659391773.db2.gz SJFWMTQWVJZJAX-KGLIPLIRSA-N 1 0 387.933 1.732 20 0 GDADRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)Nc1ccncc1I ZINC000904411707 659400143 /nfs/dbraw/zinc/40/01/43/659400143.db2.gz WRTCAACXEFLWLR-IINYFYTJSA-N 1 0 386.237 1.843 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000904443438 659401646 /nfs/dbraw/zinc/40/16/46/659401646.db2.gz JVPRUFDETQPZDN-LBPRGKRZSA-N 1 0 375.878 1.586 20 0 GDADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000904459252 659401857 /nfs/dbraw/zinc/40/18/57/659401857.db2.gz PUJYJAPQVLROLM-LBPRGKRZSA-N 1 0 395.261 1.482 20 0 GDADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000904541526 659403318 /nfs/dbraw/zinc/40/33/18/659403318.db2.gz XNJSCGUIDIADID-SNVBAGLBSA-N 1 0 399.245 1.232 20 0 GDADRO COCCOCCOc1ccc(NC(=O)NCC[NH3+])cc1Br ZINC000904546071 659403881 /nfs/dbraw/zinc/40/38/81/659403881.db2.gz NNXUNKQEKDCNNQ-UHFFFAOYSA-N 1 0 376.251 1.571 20 0 GDADRO Cc1csc([C@](O)(CC(=O)N[C@H](CC[NH3+])C(F)(F)F)C(F)(F)F)n1 ZINC000904928830 659414434 /nfs/dbraw/zinc/41/44/34/659414434.db2.gz SWMQJSQKPMFASO-GMSGAONNSA-N 1 0 379.326 1.987 20 0 GDADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904971240 659415279 /nfs/dbraw/zinc/41/52/79/659415279.db2.gz PCDHKODFPQGTMF-UHFFFAOYSA-N 1 0 388.295 1.918 20 0 GDADRO CC[NH+](CC)CCNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC000905019473 659417079 /nfs/dbraw/zinc/41/70/79/659417079.db2.gz WVDZUEKWWGETCR-UHFFFAOYSA-N 1 0 375.516 1.175 20 0 GDADRO [NH3+]C1CCN(Cc2cn(-c3cccc(I)c3)nn2)CC1 ZINC000905057760 659419847 /nfs/dbraw/zinc/41/98/47/659419847.db2.gz GSOPZTXZKNTVNK-UHFFFAOYSA-N 1 0 383.237 1.795 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905066632 659420285 /nfs/dbraw/zinc/42/02/85/659420285.db2.gz CWDFYVCYLRYEBR-HNNXBMFYSA-N 1 0 396.340 1.194 20 0 GDADRO CC[NH+](CC)CCCNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC000905080928 659421362 /nfs/dbraw/zinc/42/13/62/659421362.db2.gz OKLHEYQAMIBCBG-UHFFFAOYSA-N 1 0 389.543 1.565 20 0 GDADRO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)C[C@]1(O)CCOC1 ZINC000905094786 659422762 /nfs/dbraw/zinc/42/27/62/659422762.db2.gz BLJRTRIONFEDQI-BHYGNILZSA-N 1 0 385.302 1.520 20 0 GDADRO CCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905105500 659424544 /nfs/dbraw/zinc/42/45/44/659424544.db2.gz KUNVGYCRFIOMKP-HZPDHXFCSA-N 1 0 375.579 1.452 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)CC1(O)CCCC1)c1ccc(Cl)s1 ZINC000905183162 659430626 /nfs/dbraw/zinc/43/06/26/659430626.db2.gz YZAIMQOZLSXJIT-LLVKDONJSA-N 1 0 382.935 1.326 20 0 GDADRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC000905195648 659431791 /nfs/dbraw/zinc/43/17/91/659431791.db2.gz PDDLVVXURSUUSZ-HRCADAONSA-N 1 0 376.563 1.781 20 0 GDADRO CCn1c(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)nc2cc(Br)ccc21 ZINC000905230913 659434993 /nfs/dbraw/zinc/43/49/93/659434993.db2.gz ORGPHSHQGPFOSZ-CXAGYDPISA-N 1 0 398.301 1.811 20 0 GDADRO O=C1[C@@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)CCN1c1cccc(Br)c1 ZINC000905238938 659436128 /nfs/dbraw/zinc/43/61/28/659436128.db2.gz YITXYOQPAPWJIF-LSDHHAIUSA-N 1 0 399.285 1.046 20 0 GDADRO O=S(=O)(NCCC[NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccccc1Cl ZINC000905243998 659436569 /nfs/dbraw/zinc/43/65/69/659436569.db2.gz ODCDMKWUXJYGCO-AWEZNQCLSA-N 1 0 390.933 1.654 20 0 GDADRO O[C@H](C[NH2+][C@@H]1COc2cc(F)c(Br)cc21)C[C@]1(O)CCOC1 ZINC000905247565 659436682 /nfs/dbraw/zinc/43/66/82/659436682.db2.gz OYRYVUQMWXTSHC-JBCWJZNQSA-N 1 0 376.222 1.514 20 0 GDADRO O[C@@H](C[NH2+][C@@H]1COc2cc(F)c(Br)cc21)C1(O)CCOCC1 ZINC000905248781 659437072 /nfs/dbraw/zinc/43/70/72/659437072.db2.gz VEVFTQHKNPLIEX-OCCSQVGLSA-N 1 0 376.222 1.514 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)CCC1(O)CCC1)c1ccc(F)cc1Cl ZINC000905253803 659437414 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C[NH+](C)CCN1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC000905378941 659450085 /nfs/dbraw/zinc/45/00/85/659450085.db2.gz QSKAEAAIJBPLQE-UHFFFAOYSA-N 1 0 381.933 1.966 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CCC1 ZINC000905383046 659450155 /nfs/dbraw/zinc/45/01/55/659450155.db2.gz QWRJQPFBEDTGKT-RBSFLKMASA-N 1 0 376.563 1.924 20 0 GDADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000905387653 659450787 /nfs/dbraw/zinc/45/07/87/659450787.db2.gz BPVKGNZHYDTASG-AAEUAGOBSA-N 1 0 376.366 1.140 20 0 GDADRO Cn1ncc(I)c1C[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905406962 659451343 /nfs/dbraw/zinc/45/13/43/659451343.db2.gz CLHGQUKSDGWDNM-NSHDSACASA-N 1 0 393.269 1.418 20 0 GDADRO O=c1[nH]c(=O)n(C2CC2)cc1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000905429319 659452428 /nfs/dbraw/zinc/45/24/28/659452428.db2.gz ZFJCZPXYDJEVMF-CQSZACIVSA-N 1 0 380.242 1.870 20 0 GDADRO CS(=O)(=O)CCNC(=S)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000905546685 659463421 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383.443 1.421 20 0 GDADRO C[NH+](C)Cc1ccnc(N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)c1 ZINC001164880168 721309825 /nfs/dbraw/zinc/30/98/25/721309825.db2.gz PLYIPZILXYDICR-HDICACEKSA-N 1 0 386.521 1.900 20 0 GDADRO Cc1ccc(N2CCO[C@H]3CN(c4ncccc4C[NH+]4CCCC4)C[C@@H]32)nn1 ZINC001164778497 721313828 /nfs/dbraw/zinc/31/38/28/721313828.db2.gz XZRHSZFKXACFIE-OALUTQOASA-N 1 0 380.496 1.870 20 0 GDADRO Cn1cnc2c1ncnc2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164885054 721387720 /nfs/dbraw/zinc/38/77/20/721387720.db2.gz CEVZYWXHWPLEGM-UZLBHIALSA-N 1 0 385.516 1.129 20 0 GDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cccc(Cl)[n+]4[O-])C3)O2)CC1 ZINC001164888817 721402942 /nfs/dbraw/zinc/40/29/42/721402942.db2.gz ORYCSTGUCMTBSK-LPHOPBHVSA-N 1 0 380.920 1.739 20 0 GDADRO CCOc1ccnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886518 721403139 /nfs/dbraw/zinc/40/31/39/721403139.db2.gz JJMKZYBHBDWGES-PXNSSMCTSA-N 1 0 375.517 1.641 20 0 GDADRO 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/nfs/dbraw/zinc/59/91/02/721599102.db2.gz NHVSBPHVGUMUDN-NEWSRXKRSA-N 1 0 394.479 1.099 20 0 GDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc[nH]c3nc(=S)sc2-3)CC1 ZINC001165009709 721743689 /nfs/dbraw/zinc/74/36/89/721743689.db2.gz IDRNXDKDGVXJHR-UHFFFAOYSA-N 1 0 392.554 1.898 20 0 GDADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C(N)=O)nn2)CC1 ZINC001165019241 721838860 /nfs/dbraw/zinc/83/88/60/721838860.db2.gz AVBQTTHTRSQGFN-UHFFFAOYSA-N 1 0 385.468 1.694 20 0 GDADRO COc1cc(C(F)(F)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)nc(Cl)n1 ZINC001164932312 721889498 /nfs/dbraw/zinc/88/94/98/721889498.db2.gz IOCUOWQHNPBLKL-RYUDHWBXSA-N 1 0 375.851 1.898 20 0 GDADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@@H]21 ZINC001164943624 721952326 /nfs/dbraw/zinc/95/23/26/721952326.db2.gz ILYBIIQNCSLCQW-PMACEKPBSA-N 1 0 398.511 1.186 20 0 GDADRO O=C(c1cccnc1N1CCN(CCOc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC001165045479 721957916 /nfs/dbraw/zinc/95/79/16/721957916.db2.gz VJWRGTCBMXPEJJ-UHFFFAOYSA-N 1 0 395.507 1.328 20 0 GDADRO Cn1cccc1C(=O)N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@H]2COC[C@@H]21 ZINC001164964590 722037994 /nfs/dbraw/zinc/03/79/94/722037994.db2.gz WAPUVOMMRQGJMF-GGPKGHCWSA-N 1 0 395.507 1.650 20 0 GDADRO COC(=O)c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncn1 ZINC001164964162 722055125 /nfs/dbraw/zinc/05/51/25/722055125.db2.gz SEOFXXZTQHUMAO-UHFFFAOYSA-N 1 0 397.479 1.777 20 0 GDADRO COC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164977295 722103789 /nfs/dbraw/zinc/10/37/89/722103789.db2.gz FSFFWCMPJRVHSF-SJLPKXTDSA-N 1 0 383.452 1.386 20 0 GDADRO COC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164977292 722103873 /nfs/dbraw/zinc/10/38/73/722103873.db2.gz FSFFWCMPJRVHSF-AEFFLSMTSA-N 1 0 383.452 1.386 20 0 GDADRO COC(=O)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1N ZINC001164982120 722108588 /nfs/dbraw/zinc/10/85/88/722108588.db2.gz WBODIDVBHPAIEW-APWZRJJASA-N 1 0 397.479 1.573 20 0 GDADRO c1cn(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cn1 ZINC001164975152 722128644 /nfs/dbraw/zinc/12/86/44/722128644.db2.gz DVUKZGOFGQSRQD-RBUKOAKNSA-N 1 0 391.479 1.785 20 0 GDADRO c1ncn(-c2cncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)n1 ZINC001164984617 722146433 /nfs/dbraw/zinc/14/64/33/722146433.db2.gz XWPCWSNXZLHNJU-ROUUACIJSA-N 1 0 392.467 1.180 20 0 GDADRO CCNC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164981629 722148530 /nfs/dbraw/zinc/14/85/30/722148530.db2.gz PRZFJBOPWYXOSW-HKUYNNGSSA-N 1 0 396.495 1.349 20 0 GDADRO COCc1nc(OC)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974634 722155587 /nfs/dbraw/zinc/15/55/87/722155587.db2.gz OMZLUSNXUGWOBK-ROUUACIJSA-N 1 0 399.495 1.754 20 0 GDADRO Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H]([NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1C ZINC000737549871 945094720 /nfs/dbraw/zinc/09/47/20/945094720.db2.gz ZMAYGJYTQNHULJ-DZGCQCFKSA-N 1 0 387.488 1.964 20 0 GDADRO CC(C)[NH+](CCCNC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1)C(C)C ZINC000820115887 945352829 /nfs/dbraw/zinc/35/28/29/945352829.db2.gz ATJSMJFZIYCPDQ-UHFFFAOYSA-N 1 0 389.508 1.482 20 0 GDADRO CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735835396 944703080 /nfs/dbraw/zinc/70/30/80/944703080.db2.gz ISZVIUCCSDQXKT-SFHVURJKSA-N 1 0 383.500 1.636 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000737024037 944935852 /nfs/dbraw/zinc/93/58/52/944935852.db2.gz JFOUYLIDMCISBJ-UHFFFAOYSA-N 1 0 388.472 1.444 20 0 GDADRO Cc1cc(C)n([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737256071 945021816 /nfs/dbraw/zinc/02/18/16/945021816.db2.gz KXBRZNRFAPSNRL-QZTJIDSGSA-N 1 0 397.483 1.757 20 0 GDADRO COc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001571262389 945437036 /nfs/dbraw/zinc/43/70/36/945437036.db2.gz RKFWUYNNHFEWRY-TXEJJXNPSA-N 1 0 385.453 1.382 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)c3cnsn3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571263913 945469660 /nfs/dbraw/zinc/46/96/60/945469660.db2.gz ZPGSDESQSQDZHC-NSHDSACASA-N 1 0 385.457 1.211 20 0 GDADRO O=C(N[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCCOC1)CC2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571265255 945503979 /nfs/dbraw/zinc/50/39/79/945503979.db2.gz DSRRVOHZRKRVCX-CRFBAAHOSA-N 1 0 385.472 1.348 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)[C@H]1C ZINC001571271575 945644965 /nfs/dbraw/zinc/64/49/65/945644965.db2.gz DTTLNNJVHSPDSJ-FZMZJTMJSA-N 1 0 386.485 1.743 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c(C)s1 ZINC001571271534 945645063 /nfs/dbraw/zinc/64/50/63/945645063.db2.gz CPXFYAGLYZCFNJ-LBPRGKRZSA-N 1 0 386.485 1.663 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[nH]n1)[NH+](C)C ZINC001571271637 945646419 /nfs/dbraw/zinc/64/64/19/945646419.db2.gz GDWONSAUJSLDOM-ZBFHGGJFSA-N 1 0 386.504 1.641 20 0 GDADRO Cc1cnc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)s1 ZINC001571271599 945646467 /nfs/dbraw/zinc/64/64/67/945646467.db2.gz FJXMVPWQCXLXDT-VXGBXAGGSA-N 1 0 386.485 1.600 20 0 GDADRO CC1(C)CN(C(=O)Cn2ccnc2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271627 945646959 /nfs/dbraw/zinc/64/69/59/945646959.db2.gz FYJPKKMFTQICPI-CQSZACIVSA-N 1 0 386.485 1.152 20 0 GDADRO O=C(NC[C@H]1CCCC[N@@H+]1CCc1ccns1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571271833 945652764 /nfs/dbraw/zinc/65/27/64/945652764.db2.gz KTLTXFWANMTLLT-CYBMUJFWSA-N 1 0 386.485 1.478 20 0 GDADRO Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571271948 945653442 /nfs/dbraw/zinc/65/34/42/945653442.db2.gz MYVLCCHHUBWYIM-RFAUZJTJSA-N 1 0 386.485 1.518 20 0 GDADRO Cc1ncsc1CC[N@@H+]1CC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571272107 945656043 /nfs/dbraw/zinc/65/60/43/945656043.db2.gz PMDWKKONKMRKQC-GFCCVEGCSA-N 1 0 386.485 1.254 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821586172 945725599 /nfs/dbraw/zinc/72/55/99/945725599.db2.gz MTJYYLGZTDODNO-UHFFFAOYSA-N 1 0 398.446 1.674 20 0 GDADRO C[NH+](C)CCOC1CCN(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000821587066 945726796 /nfs/dbraw/zinc/72/67/96/945726796.db2.gz FCFCWKYHSIMZOA-UHFFFAOYSA-N 1 0 391.451 1.258 20 0 GDADRO C[N@H+](CCC1CCOCC1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821599336 945738466 /nfs/dbraw/zinc/73/84/66/945738466.db2.gz PGWHPTWDURMWCH-CQSZACIVSA-N 1 0 376.486 1.782 20 0 GDADRO CNC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821629860 945758808 /nfs/dbraw/zinc/75/88/08/945758808.db2.gz DWXZGOQZHAXNJB-SNVBAGLBSA-N 1 0 379.852 1.163 20 0 GDADRO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)cs1 ZINC001571281082 945797269 /nfs/dbraw/zinc/79/72/69/945797269.db2.gz CBWCNEGLIUGBCL-ZDUSSCGKSA-N 1 0 387.469 1.196 20 0 GDADRO CC1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001571281213 945802159 /nfs/dbraw/zinc/80/21/59/945802159.db2.gz FMIPGMSEYPHVRW-CQSZACIVSA-N 1 0 387.488 1.596 20 0 GDADRO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571281766 945814273 /nfs/dbraw/zinc/81/42/73/945814273.db2.gz NOHJOKSWLZVODC-XDQVBPFNSA-N 1 0 387.463 1.795 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)o1 ZINC001571282040 945828558 /nfs/dbraw/zinc/82/85/58/945828558.db2.gz RJEZXSSFPDBKNH-HZMBPMFUSA-N 1 0 387.469 1.546 20 0 GDADRO O=C(c1ccsn1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571282501 945845266 /nfs/dbraw/zinc/84/52/66/945845266.db2.gz IVLPGKYMNPEBIX-GFCCVEGCSA-N 1 0 387.444 1.857 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571282743 945858740 /nfs/dbraw/zinc/85/87/40/945858740.db2.gz PLLFWVKXUDZXRO-XJKSGUPXSA-N 1 0 387.463 1.575 20 0 GDADRO C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)CC1 ZINC001571282879 945866676 /nfs/dbraw/zinc/86/66/76/945866676.db2.gz UCVCENOHBFVDGA-MQMHXKEQSA-N 1 0 387.463 1.654 20 0 GDADRO O=C(N[C@H]1CC[N@H+](CCOC2CCCCCC2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571283353 945882325 /nfs/dbraw/zinc/88/23/25/945882325.db2.gz DEMALMJVBHPEKJ-HNNXBMFYSA-N 1 0 387.488 1.738 20 0 GDADRO C[N@H+](CC1CCOCC1)C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571285195 945910435 /nfs/dbraw/zinc/91/04/35/945910435.db2.gz ZHPLNSFKDKUNCH-OAHLLOKOSA-N 1 0 387.488 1.405 20 0 GDADRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@](C)(O)C2)c1-c1nn[nH]n1 ZINC000822015478 945919366 /nfs/dbraw/zinc/91/93/66/945919366.db2.gz KIBWWLXCKXMAEG-LJQANCHMSA-N 1 0 387.488 1.795 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)[C@@H]1CCOC1 ZINC001571287628 945975717 /nfs/dbraw/zinc/97/57/17/945975717.db2.gz GKBMSWBPULRTAU-NWANDNLSSA-N 1 0 388.447 1.417 20 0 GDADRO O=C(NC[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1)C1CCC1 ZINC001571287789 945977352 /nfs/dbraw/zinc/97/73/52/945977352.db2.gz IATDJGKJSXRZQH-MRXNPFEDSA-N 1 0 388.447 1.513 20 0 GDADRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1csnn1 ZINC001571288116 945983530 /nfs/dbraw/zinc/98/35/30/945983530.db2.gz MJLNCSNQKXGHHI-WVSHTKLVSA-N 1 0 388.432 1.156 20 0 GDADRO CN(C(=O)[C@@H]1CCCCO1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288372 945985520 /nfs/dbraw/zinc/98/55/20/945985520.db2.gz OVIFUOZREAYHCJ-KVULBXGLSA-N 1 0 388.447 1.654 20 0 GDADRO COC1CC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571288306 945986508 /nfs/dbraw/zinc/98/65/08/945986508.db2.gz NWJAWKKUNCRVHH-DSSZZKGTSA-N 1 0 388.447 1.511 20 0 GDADRO O=C([C@@H]1CCCCO1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288686 945989867 /nfs/dbraw/zinc/98/98/67/945989867.db2.gz RFESNTRJUDZJHT-YOEHRIQHSA-N 1 0 388.447 1.656 20 0 GDADRO O=C(N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@]1(F)CCOC1 ZINC001571288563 945990862 /nfs/dbraw/zinc/99/08/62/945990862.db2.gz QPLZJIBVENLKDU-APWZRJJASA-N 1 0 388.447 1.466 20 0 GDADRO O=C(CC[N@H+]1CC[C@H](F)C1)NC1(c2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC001571288741 945992827 /nfs/dbraw/zinc/99/28/27/945992827.db2.gz SLYCEJRILUWQGV-INIZCTEOSA-N 1 0 388.447 1.423 20 0 GDADRO C[C@H]1CN(C(=O)c2cnon2)CC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571290095 946029765 /nfs/dbraw/zinc/02/97/65/946029765.db2.gz VDCRMTGDFKGYFO-QWRGUYRKSA-N 1 0 388.457 1.199 20 0 GDADRO O=C(N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2)C1CC(F)(F)C1 ZINC001571292382 946096288 /nfs/dbraw/zinc/09/62/88/946096288.db2.gz YRQYQNHCHKVBQK-KBPBESRZSA-N 1 0 389.410 1.568 20 0 GDADRO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(-c2nn[nH]n2)c1C ZINC000822541014 946118569 /nfs/dbraw/zinc/11/85/69/946118569.db2.gz KODMUTAITSSAHJ-OCCSQVGLSA-N 1 0 398.471 1.702 20 0 GDADRO O=C(N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C1(F)CCOCC1 ZINC001571293955 946120144 /nfs/dbraw/zinc/12/01/44/946120144.db2.gz WXHVQQQAGXATHG-ZDUSSCGKSA-N 1 0 389.435 1.256 20 0 GDADRO CC(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC001573477617 946141456 /nfs/dbraw/zinc/14/14/56/946141456.db2.gz STEGZWBAPVFPCH-GUYCJALGSA-N 1 0 387.488 1.012 20 0 GDADRO Cc1ccc(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)cn1 ZINC001571295069 946152560 /nfs/dbraw/zinc/15/25/60/946152560.db2.gz ONNQIJGTELMOAP-RUYXUALKSA-N 1 0 389.463 1.359 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571298331 946213520 /nfs/dbraw/zinc/21/35/20/946213520.db2.gz DFFNINVZQYVPMA-KZULUSFZSA-N 1 0 390.451 1.529 20 0 GDADRO O=C(NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCCO1)C1CCCC1 ZINC001571298643 946225159 /nfs/dbraw/zinc/22/51/59/946225159.db2.gz BTRCCTQPYIRXSD-CQSZACIVSA-N 1 0 390.513 1.826 20 0 GDADRO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822986305 946246722 /nfs/dbraw/zinc/24/67/22/946246722.db2.gz CSJKHUAZMMRKOP-SFHVURJKSA-N 1 0 384.484 1.907 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1CCCO1 ZINC001571299379 946249346 /nfs/dbraw/zinc/24/93/46/946249346.db2.gz LXBKHPNWTONAEH-BHPKHCPMSA-N 1 0 390.513 1.728 20 0 GDADRO O=C(c1ccncn1)N1CC2(C1)CCC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571299553 946254402 /nfs/dbraw/zinc/25/44/02/946254402.db2.gz WZBAQWUGKMFHBE-UHFFFAOYSA-N 1 0 390.451 1.395 20 0 GDADRO Cc1ccnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@@H]3C2)n1 ZINC001571299838 946265456 /nfs/dbraw/zinc/26/54/56/946265456.db2.gz WKFOISXTVDAZIV-CALCHBBNSA-N 1 0 390.451 1.169 20 0 GDADRO Cc1nsc(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1-c1nn[nH]n1 ZINC001571300200 946275643 /nfs/dbraw/zinc/27/56/43/946275643.db2.gz WPCMJTDPPQGHTI-OLZOCXBDSA-N 1 0 390.517 1.199 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571305409 946359884 /nfs/dbraw/zinc/35/98/84/946359884.db2.gz ANMCMEGQLCVTOA-PPUGGXLSSA-N 1 0 391.479 1.982 20 0 GDADRO O=C(CCc1ccncc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571305603 946369179 /nfs/dbraw/zinc/36/91/79/946369179.db2.gz HAWCJGQSEAZAHM-UHFFFAOYSA-N 1 0 391.479 1.929 20 0 GDADRO O=C(Cc1cccnc1)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571305635 946370428 /nfs/dbraw/zinc/37/04/28/946370428.db2.gz HZEQIGMLTGMJCU-RBUKOAKNSA-N 1 0 391.479 1.879 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001571306362 946398522 /nfs/dbraw/zinc/39/85/22/946398522.db2.gz UHMAPEVPWKPVHI-KBXCAEBGSA-N 1 0 391.479 1.804 20 0 GDADRO CCc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)nc1 ZINC001571307023 946415012 /nfs/dbraw/zinc/41/50/12/946415012.db2.gz UGYCHSNUJIMCDI-IBGZPJMESA-N 1 0 391.479 1.757 20 0 GDADRO O=C(N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)[C@]1(F)CCOC1 ZINC001571308554 946433090 /nfs/dbraw/zinc/43/30/90/946433090.db2.gz QUTZVITTWXDFPU-SFHVURJKSA-N 1 0 392.410 1.215 20 0 GDADRO O=C(N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@]1(F)CCOC1 ZINC001571308399 946434161 /nfs/dbraw/zinc/43/41/61/946434161.db2.gz PPOASOJZEINAKC-KSSFIOAISA-N 1 0 392.410 1.215 20 0 GDADRO CCc1cccnc1C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571313034 946509599 /nfs/dbraw/zinc/50/95/99/946509599.db2.gz IJYTZINEMSURHZ-HNNXBMFYSA-N 1 0 392.467 1.666 20 0 GDADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823972494 946530596 /nfs/dbraw/zinc/53/05/96/946530596.db2.gz CBZWGTJNXDKVJT-CRAIPNDOSA-N 1 0 397.483 1.162 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571315481 946556216 /nfs/dbraw/zinc/55/62/16/946556216.db2.gz LUHYUFKDBWUJMM-FQEVSTJZSA-N 1 0 392.467 1.636 20 0 GDADRO Cn1nccc1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571316438 946576742 /nfs/dbraw/zinc/57/67/42/946576742.db2.gz CNSMMMLIEUESQC-FQEVSTJZSA-N 1 0 392.467 1.338 20 0 GDADRO Cc1nnccc1C(=O)NCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571316475 946577685 /nfs/dbraw/zinc/57/76/85/946577685.db2.gz DDXYOYYYSHGXCZ-UHFFFAOYSA-N 1 0 392.467 1.607 20 0 GDADRO Cc1cnn(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571316715 946584598 /nfs/dbraw/zinc/58/45/98/946584598.db2.gz KOXURDFXORFVIS-ZACQAIPSSA-N 1 0 392.467 1.444 20 0 GDADRO O=C(CCc1cccnc1)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571317118 946602474 /nfs/dbraw/zinc/60/24/74/946602474.db2.gz VQEHXLWPXUZKQK-UHFFFAOYSA-N 1 0 392.467 1.362 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCc2nccn2C1 ZINC001571317244 946604546 /nfs/dbraw/zinc/60/45/46/946604546.db2.gz YVHPFUDKHXTWNX-DLBZAZTESA-N 1 0 392.467 1.016 20 0 GDADRO O=C(c1ncc[nH]1)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571317648 946616994 /nfs/dbraw/zinc/61/69/94/946616994.db2.gz POWVYIJMVUKSGI-FQEVSTJZSA-N 1 0 392.467 1.718 20 0 GDADRO O=C(c1cnn(CC2CC2)c1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317720 946618491 /nfs/dbraw/zinc/61/84/91/946618491.db2.gz SNFDUTPEOKKLTC-SFHVURJKSA-N 1 0 392.467 1.478 20 0 GDADRO CC(C)COC[C@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824272382 946641381 /nfs/dbraw/zinc/64/13/81/946641381.db2.gz WSAUSVNQOAQCDJ-QGZVFWFLSA-N 1 0 385.472 1.390 20 0 GDADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)c2)CC1 ZINC000824300072 946646796 /nfs/dbraw/zinc/64/67/96/946646796.db2.gz BPMQIKDRFRPEFW-UHFFFAOYSA-N 1 0 380.456 1.978 20 0 GDADRO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573538265 946764673 /nfs/dbraw/zinc/76/46/73/946764673.db2.gz RREYEMFVFCOCLR-DYVFJYSZSA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573540876 946781227 /nfs/dbraw/zinc/78/12/27/946781227.db2.gz JTSWHHIVGATQEK-SUMWQHHRSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H]([C@H](C)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCOCC1 ZINC000824548072 946790616 /nfs/dbraw/zinc/79/06/16/946790616.db2.gz VAKKHKRJKBQAMS-DLBZAZTESA-N 1 0 399.543 1.530 20 0 GDADRO C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824594140 946844962 /nfs/dbraw/zinc/84/49/62/946844962.db2.gz WUXHPXVADZYCBC-MRXNPFEDSA-N 1 0 393.499 1.520 20 0 GDADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000824746513 946923991 /nfs/dbraw/zinc/92/39/91/946923991.db2.gz VOTCYOLBRUVEDI-GDBMZVCRSA-N 1 0 384.484 1.824 20 0 GDADRO CC(C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)=C1CCC1 ZINC001573591579 947315126 /nfs/dbraw/zinc/31/51/26/947315126.db2.gz DGQCDPPJVKXSRR-KRWDZBQOSA-N 1 0 384.484 1.618 20 0 GDADRO CCn1cc(C[N@@H+]2CCCN(c3nc4ccccn4c3-c3nn[nH]n3)CC2)cn1 ZINC000825799993 947336376 /nfs/dbraw/zinc/33/63/76/947336376.db2.gz YBDPEXIIVNEAJF-UHFFFAOYSA-N 1 0 392.471 1.443 20 0 GDADRO C[C@@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573594351 947393179 /nfs/dbraw/zinc/39/31/79/947393179.db2.gz YIABESFUVSQRFX-CXAGYDPISA-N 1 0 385.472 1.504 20 0 GDADRO CC(C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)=C1CCC1 ZINC001573594343 947393369 /nfs/dbraw/zinc/39/33/69/947393369.db2.gz YDRFLHLMHVTUQD-AWEZNQCLSA-N 1 0 390.513 1.680 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nc3ccccn3c2-c2nn[nH]n2)CC1 ZINC000826034186 947414258 /nfs/dbraw/zinc/41/42/58/947414258.db2.gz OKYWLUTXUQEMOO-HNNXBMFYSA-N 1 0 381.488 1.121 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(F)F ZINC001573597940 947439308 /nfs/dbraw/zinc/43/93/08/947439308.db2.gz PNAAPXMDNXEPSE-UWVGGRQHSA-N 1 0 388.444 1.128 20 0 GDADRO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)c1cccnc1 ZINC001573602634 947470568 /nfs/dbraw/zinc/47/05/68/947470568.db2.gz GGLWSTMVXLALFK-OAHLLOKOSA-N 1 0 379.468 1.956 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCCO1 ZINC001573603012 947476301 /nfs/dbraw/zinc/47/63/01/947476301.db2.gz IUYWXTHTCRVXSV-GUYCJALGSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC001573605309 947528832 /nfs/dbraw/zinc/52/88/32/947528832.db2.gz VKWRNMOOIXVMAC-HNNXBMFYSA-N 1 0 386.500 1.604 20 0 GDADRO C[C@@H](C(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573613516 947564691 /nfs/dbraw/zinc/56/46/91/947564691.db2.gz BNZZLJHXCMPTIA-JLTOFOAXSA-N 1 0 392.467 1.533 20 0 GDADRO C/C(=C\C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001573357923 947654878 /nfs/dbraw/zinc/65/48/78/947654878.db2.gz CNSBLTQIGPVJPS-SHRNQRGKSA-N 1 0 384.484 1.474 20 0 GDADRO Cc1c(Cl)cnc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1-c1nn[nH]n1 ZINC000826237658 947696702 /nfs/dbraw/zinc/69/67/02/947696702.db2.gz HWTWXNMEUATHPO-ZDUSSCGKSA-N 1 0 390.879 1.142 20 0 GDADRO Cc1c(Cl)cnc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c1-c1nn[nH]n1 ZINC000826238986 947706012 /nfs/dbraw/zinc/70/60/12/947706012.db2.gz VKXBGWCXERMKHG-UHFFFAOYSA-N 1 0 392.895 1.578 20 0 GDADRO C[C@@H](C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573626593 947712787 /nfs/dbraw/zinc/71/27/87/947712787.db2.gz WBVWUSWPJALTCT-CYBMUJFWSA-N 1 0 378.440 1.285 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cccc1 ZINC001573628496 947756721 /nfs/dbraw/zinc/75/67/21/947756721.db2.gz MDMXMBBMTNGJHK-HUUCEWRRSA-N 1 0 380.456 1.752 20 0 GDADRO C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(C)(F)F ZINC001573629012 947769870 /nfs/dbraw/zinc/76/98/70/947769870.db2.gz QDRXXTNZZGYFFV-NWDGAFQWSA-N 1 0 379.415 1.980 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1C ZINC001573369581 947774542 /nfs/dbraw/zinc/77/45/42/947774542.db2.gz UWSOZYCIIXOCHJ-DOMZBBRYSA-N 1 0 388.447 1.844 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573372787 947782406 /nfs/dbraw/zinc/78/24/06/947782406.db2.gz CLWWYVQEHXKRON-CYBMUJFWSA-N 1 0 376.486 1.768 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H]1C ZINC001573373348 947792515 /nfs/dbraw/zinc/79/25/15/947792515.db2.gz IDJIRCXRXJIKCJ-OCCSQVGLSA-N 1 0 376.486 1.767 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573374598 947810306 /nfs/dbraw/zinc/81/03/06/947810306.db2.gz OJQGXYBFGJQVFH-INIZCTEOSA-N 1 0 388.447 1.846 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573376023 947830468 /nfs/dbraw/zinc/83/04/68/947830468.db2.gz VMPMHEPNOKGLTR-HNNXBMFYSA-N 1 0 385.472 1.402 20 0 GDADRO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CCC1 ZINC001573641632 947857576 /nfs/dbraw/zinc/85/75/76/947857576.db2.gz MJPRNLCRSFRZGD-RDTXWAMCSA-N 1 0 384.484 1.620 20 0 GDADRO CC(=O)CCCC(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCC1 ZINC001573380932 947867508 /nfs/dbraw/zinc/86/75/08/947867508.db2.gz KJIBGASTPZIPFC-UHFFFAOYSA-N 1 0 388.447 1.894 20 0 GDADRO CC(=O)CCCC(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573381930 947879586 /nfs/dbraw/zinc/87/95/86/947879586.db2.gz ZWLVRAIYXVPPOI-HNNXBMFYSA-N 1 0 385.472 1.662 20 0 GDADRO CC(=O)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573383081 947888868 /nfs/dbraw/zinc/88/88/68/947888868.db2.gz NIJIUKDDMFUGHN-GASCZTMLSA-N 1 0 388.447 1.750 20 0 GDADRO Cc1ccnc(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)c1-c1nn[nH]n1 ZINC000826310908 947896647 /nfs/dbraw/zinc/89/66/47/947896647.db2.gz NDQHIUIUAOOKHY-UHFFFAOYSA-N 1 0 379.472 1.353 20 0 GDADRO C[C@H](C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573652262 947933927 /nfs/dbraw/zinc/93/39/27/947933927.db2.gz BYWYKJOJZFNTKT-YJYMSZOUSA-N 1 0 380.456 1.443 20 0 GDADRO Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1-c1nn[nH]n1 ZINC000826343565 947992906 /nfs/dbraw/zinc/99/29/06/947992906.db2.gz GIAAERJBDFFUFM-UHFFFAOYSA-N 1 0 387.419 1.435 20 0 GDADRO Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)c1-c1nn[nH]n1 ZINC000826343561 947993038 /nfs/dbraw/zinc/99/30/38/947993038.db2.gz GEPQSJIMFLDMSQ-UHFFFAOYSA-N 1 0 385.428 1.002 20 0 GDADRO Cc1onc(CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1-c1nn[nH]n1 ZINC000826347349 948053689 /nfs/dbraw/zinc/05/36/89/948053689.db2.gz OFFHHQBBVYJFCC-UHFFFAOYSA-N 1 0 381.440 1.270 20 0 GDADRO Cn1cc(CN2CC[NH+](C(C)(C)CO)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360855 948124387 /nfs/dbraw/zinc/12/43/87/948124387.db2.gz ASGORUQWVIOGJY-UHFFFAOYSA-N 1 0 396.499 1.156 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCC1 ZINC001573679059 948159171 /nfs/dbraw/zinc/15/91/71/948159171.db2.gz HWHIYPLUONJZLL-SMDDNHRTSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001573680713 948186471 /nfs/dbraw/zinc/18/64/71/948186471.db2.gz RIWAROQFXJOOIQ-LSDHHAIUSA-N 1 0 386.504 1.467 20 0 GDADRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573690268 948224393 /nfs/dbraw/zinc/22/43/93/948224393.db2.gz BYDRXRCVJTZDTA-WCQYABFASA-N 1 0 378.452 1.255 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573690818 948230065 /nfs/dbraw/zinc/23/00/65/948230065.db2.gz FTHZMUCPUYMUDD-RISCZKNCSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)C(F)(F)F ZINC001573691853 948248395 /nfs/dbraw/zinc/24/83/95/948248395.db2.gz JGEYPNIUCYOITM-VIFPVBQESA-N 1 0 386.353 1.943 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573692672 948271562 /nfs/dbraw/zinc/27/15/62/948271562.db2.gz QIIZUXURXCSWKS-AAEUAGOBSA-N 1 0 378.452 1.255 20 0 GDADRO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC001573695189 948302160 /nfs/dbraw/zinc/30/21/60/948302160.db2.gz XEIMTYIUHCJLBG-BLLLJJGKSA-N 1 0 386.481 1.299 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)c1ccco1 ZINC001573695250 948303900 /nfs/dbraw/zinc/30/39/00/948303900.db2.gz FUSZJIIGXIKQHJ-GBOPCIDUSA-N 1 0 379.424 1.457 20 0 GDADRO C[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573696834 948335815 /nfs/dbraw/zinc/33/58/15/948335815.db2.gz XSWLARPAVQSEJG-VQCLRJIVSA-N 1 0 380.456 1.309 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC[C@@H](n3ccnc3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476418 948381096 /nfs/dbraw/zinc/38/10/96/948381096.db2.gz HJSKMMVJTSJZOS-QZTJIDSGSA-N 1 0 392.467 1.896 20 0 GDADRO O=C1[C@H]([N@@H+]2CCC3(C2)CCOCC3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476766 948383200 /nfs/dbraw/zinc/38/32/00/948383200.db2.gz OMHUBWCMKMBIHK-QGZVFWFLSA-N 1 0 382.468 1.865 20 0 GDADRO O=C1[C@@H]([NH+]2CCC(c3cn[nH]c3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476594 948384175 /nfs/dbraw/zinc/38/41/75/948384175.db2.gz KWSUWXXDOQSZFI-SFHVURJKSA-N 1 0 392.467 1.965 20 0 GDADRO O=C1[C@H]([NH+]2CCC3(CCOC3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476812 948385852 /nfs/dbraw/zinc/38/58/52/948385852.db2.gz PRDFDNMHDXLYSZ-QGZVFWFLSA-N 1 0 382.468 1.865 20 0 GDADRO OC[C@@H](CC(F)(F)F)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826507363 948427114 /nfs/dbraw/zinc/42/71/14/948427114.db2.gz NGOQSWGMTQQKDA-OAHLLOKOSA-N 1 0 384.406 1.734 20 0 GDADRO C[C@H](C(=O)NCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cn2)CC1)C1CC1 ZINC001573717966 948513819 /nfs/dbraw/zinc/51/38/19/948513819.db2.gz FXQSWBKJBSGKDQ-ZDUSSCGKSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H](C(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)c1ccccc1F ZINC001573718936 948520935 /nfs/dbraw/zinc/52/09/35/948520935.db2.gz VCPGZHZFSNSAHT-QWHCGFSZSA-N 1 0 383.431 1.933 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573730013 948576081 /nfs/dbraw/zinc/57/60/81/948576081.db2.gz XSWLARPAVQSEJG-OFQRWUPVSA-N 1 0 380.456 1.309 20 0 GDADRO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1)c1cccnc1 ZINC001573736088 948612996 /nfs/dbraw/zinc/61/29/96/948612996.db2.gz HQWGUFFHDOUMCF-FSPWUOQZSA-N 1 0 392.467 1.722 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@H]1CCCO1 ZINC001573748900 948698159 /nfs/dbraw/zinc/69/81/59/948698159.db2.gz WWICSVIMENEROP-MBMVNNNZSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001573755297 948760290 /nfs/dbraw/zinc/76/02/90/948760290.db2.gz OIUIOCCYVYXNMI-MVWJERBFSA-N 1 0 376.486 1.589 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574915769 948771103 /nfs/dbraw/zinc/77/11/03/948771103.db2.gz XPXKXAGWIWBIBJ-ZDUSSCGKSA-N 1 0 381.440 1.194 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574916557 948779143 /nfs/dbraw/zinc/77/91/43/948779143.db2.gz DHKUKDDHDZMFRK-GFCCVEGCSA-N 1 0 386.485 1.288 20 0 GDADRO CC(C)c1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574419599 948785918 /nfs/dbraw/zinc/78/59/18/948785918.db2.gz GFLSCPNOZUXTAI-HWWDLCQESA-N 1 0 392.467 1.573 20 0 GDADRO CC(C)c1ccccc1C[NH2+][C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574419836 948790488 /nfs/dbraw/zinc/79/04/88/948790488.db2.gz KGJYOTNNIZBOBR-CQSZACIVSA-N 1 0 383.456 1.199 20 0 GDADRO CC(F)(F)C1(C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001575224752 948792559 /nfs/dbraw/zinc/79/25/59/948792559.db2.gz YHSZWZDPRUCQLU-LLVKDONJSA-N 1 0 377.399 1.522 20 0 GDADRO C[C@H](CNC(=O)CCCn1cccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574917731 948822767 /nfs/dbraw/zinc/82/27/67/948822767.db2.gz ABKVLGMVGYBCTE-CQSZACIVSA-N 1 0 385.447 1.882 20 0 GDADRO CC(C)c1ccsc1C(=O)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574424362 948847546 /nfs/dbraw/zinc/84/75/46/948847546.db2.gz MHSZHNGZQIRXBD-LLVKDONJSA-N 1 0 387.469 1.071 20 0 GDADRO CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C(F)F ZINC001573763755 948877624 /nfs/dbraw/zinc/87/76/24/948877624.db2.gz GVEQAMALTLSBCH-LBPRGKRZSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CNC(=O)CCc1nccn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920411 948901684 /nfs/dbraw/zinc/90/16/84/948901684.db2.gz KMJRMWLTBCKQEF-LBPRGKRZSA-N 1 0 388.501 1.231 20 0 GDADRO CC(C)c1ncc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001574427355 948903271 /nfs/dbraw/zinc/90/32/71/948903271.db2.gz CVCKIOPEQWICAI-XYPYZODXSA-N 1 0 384.469 1.636 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574685223 948905143 /nfs/dbraw/zinc/90/51/43/948905143.db2.gz TWFGAJHRDDPRQV-GXFFZTMASA-N 1 0 378.868 1.316 20 0 GDADRO CC(C)c1ncc(C(=O)N[C@@H](C)[C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)s1 ZINC001574427827 948914094 /nfs/dbraw/zinc/91/40/94/948914094.db2.gz RDEGUGFMWFYIFB-QWRGUYRKSA-N 1 0 386.485 1.882 20 0 GDADRO C[C@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001574686590 948938658 /nfs/dbraw/zinc/93/86/58/948938658.db2.gz KAZWYKSVJWUXPD-CABCVRRESA-N 1 0 386.504 1.833 20 0 GDADRO C[C@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574686641 948939078 /nfs/dbraw/zinc/93/90/78/948939078.db2.gz KUKONITYQJDOKG-OAHLLOKOSA-N 1 0 386.504 1.835 20 0 GDADRO C[C@@H](CNC(=O)CCn1cccc1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574923157 948939426 /nfs/dbraw/zinc/93/94/26/948939426.db2.gz FSUQELBFAWUDKD-AWEZNQCLSA-N 1 0 385.447 1.834 20 0 GDADRO CC(C)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001574089016 948943066 /nfs/dbraw/zinc/94/30/66/948943066.db2.gz FQRVHJNIGJKSNR-OCABDXPQSA-N 1 0 384.459 1.844 20 0 GDADRO CC(C)(C(=O)N[C@H](CNc1ncccc1-c1nn[nH]n1)C1CC1)[NH+]1CCCC1 ZINC001573772300 948954962 /nfs/dbraw/zinc/95/49/62/948954962.db2.gz TULFRXLRXIMXEU-OAHLLOKOSA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573772329 948959273 /nfs/dbraw/zinc/95/92/73/948959273.db2.gz AGQVGFIUMZULHS-QGZVFWFLSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@H](CNC(=O)C[NH+]1CCCC1)CNc1snc(Cl)c1-c1nn[nH]n1 ZINC001574925579 948972760 /nfs/dbraw/zinc/97/27/60/948972760.db2.gz BHZYCJPXVWJRJF-SECBINFHSA-N 1 0 384.897 1.237 20 0 GDADRO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)C1CC1 ZINC001573773268 948976496 /nfs/dbraw/zinc/97/64/96/948976496.db2.gz IXWZVYPFALGDPC-KBPBESRZSA-N 1 0 390.513 1.416 20 0 GDADRO C[C@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)CC2 ZINC001575243648 948997626 /nfs/dbraw/zinc/99/76/26/948997626.db2.gz PSPSEMPJHXPUHO-ZDUSSCGKSA-N 1 0 375.452 1.871 20 0 GDADRO CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)CNc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574926782 949019646 /nfs/dbraw/zinc/01/96/46/949019646.db2.gz XJXIUGIWYRNYJZ-SECBINFHSA-N 1 0 386.913 1.481 20 0 GDADRO CC(C)c1nocc1C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574441887 949083774 /nfs/dbraw/zinc/08/37/74/949083774.db2.gz DOTDPRBSDCLYPJ-LBPRGKRZSA-N 1 0 382.428 1.369 20 0 GDADRO C[C@@H](CNC(=O)COCC(F)F)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574931117 949114167 /nfs/dbraw/zinc/11/41/67/949114167.db2.gz NPFMFWRANRENLA-JTQLQIEISA-N 1 0 386.378 1.224 20 0 GDADRO CC(C)c1occc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574446090 949121445 /nfs/dbraw/zinc/12/14/45/949121445.db2.gz ICQYSAVIAUCEDP-NSHDSACASA-N 1 0 390.469 1.525 20 0 GDADRO C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1F)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001575251392 949138599 /nfs/dbraw/zinc/13/85/99/949138599.db2.gz BMHAHUUDZIPPMA-MNOVXSKESA-N 1 0 376.440 1.190 20 0 GDADRO C[C@@H](CNC(=O)COCC1CC1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574932351 949141660 /nfs/dbraw/zinc/14/16/60/949141660.db2.gz YBBWPGHENHXODB-LBPRGKRZSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)C(F)F 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380.456 1.226 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576180170 949943074 /nfs/dbraw/zinc/94/30/74/949943074.db2.gz NFPKYOICZBVPSM-IAQYHMDHSA-N 1 0 384.469 1.493 20 0 GDADRO C[C@@H]1[C@H](NC(=O)c2cccn2C)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575891108 949983796 /nfs/dbraw/zinc/98/37/96/949983796.db2.gz DYHHDBNTJAFSNA-RHSMWYFYSA-N 1 0 379.468 1.988 20 0 GDADRO C[C@@H](CN(C)C(=O)Cc1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574728578 949994069 /nfs/dbraw/zinc/99/40/69/949994069.db2.gz DKTCAYAGVILQRG-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO C[C@H](CN(C)C(=O)Cc1cncs1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574728782 950007474 /nfs/dbraw/zinc/00/74/74/950007474.db2.gz JNOJSCNJPYREBL-SNVBAGLBSA-N 1 0 377.499 1.564 20 0 GDADRO C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576181452 950007542 /nfs/dbraw/zinc/00/75/42/950007542.db2.gz IGKBAWAISLMRFF-GOEBONIOSA-N 1 0 386.504 1.500 20 0 GDADRO 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20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576184977 950149972 /nfs/dbraw/zinc/14/99/72/950149972.db2.gz XZCFYILRJJBUPM-CZUORRHYSA-N 1 0 381.440 1.885 20 0 GDADRO CC1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)c(F)c4)C[C@H]32)CCC1 ZINC001575584129 950161567 /nfs/dbraw/zinc/16/15/67/950161567.db2.gz VTTMPVCBJVUJBR-PHZGNYQRSA-N 1 0 384.459 1.990 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CCN2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191342 950192636 /nfs/dbraw/zinc/19/26/36/950192636.db2.gz FKZUFFJKBFYJAO-KBPBESRZSA-N 1 0 389.529 1.303 20 0 GDADRO C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccco1 ZINC001574495214 950198228 /nfs/dbraw/zinc/19/82/28/950198228.db2.gz RNIDQBNBTPQVQL-VXGBXAGGSA-N 1 0 390.469 1.282 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)c2ncccn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575900655 950204588 /nfs/dbraw/zinc/20/45/88/950204588.db2.gz HBWNETIZMZDSBD-CJNGLKHVSA-N 1 0 378.440 1.440 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnn(C)c1 ZINC001575900707 950207325 /nfs/dbraw/zinc/20/73/25/950207325.db2.gz HSOMCYRXUGUDKH-BZNIZROVSA-N 1 0 384.419 1.132 20 0 GDADRO C[C@H](CNC(=O)c1c[nH]nc1C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574983233 950211163 /nfs/dbraw/zinc/21/11/63/950211163.db2.gz MYSNLJULCTZECL-SNVBAGLBSA-N 1 0 384.419 1.514 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1ccco1 ZINC001575900900 950212037 /nfs/dbraw/zinc/21/20/37/950212037.db2.gz JCFIXAMUSRKTJE-SJKOYZFVSA-N 1 0 384.415 1.921 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573845287 950218806 /nfs/dbraw/zinc/21/88/06/950218806.db2.gz VGMFRHPOWFJANJ-OAHLLOKOSA-N 1 0 389.504 1.842 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574740262 950223244 /nfs/dbraw/zinc/22/32/44/950223244.db2.gz DALVUKIJUGLJKE-NQYLQCIDSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(C3CC3)no2)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575901199 950226014 /nfs/dbraw/zinc/22/60/14/950226014.db2.gz MCVALCGEGQPQKA-GXFFZTMASA-N 1 0 382.428 1.453 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)CC(C)(C)O ZINC001575901273 950229842 /nfs/dbraw/zinc/22/98/42/950229842.db2.gz MYBZPSROVJIZPF-XHDPSFHLSA-N 1 0 376.436 1.246 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573845433 950232527 /nfs/dbraw/zinc/23/25/27/950232527.db2.gz ZHEFCRUWTZJYMU-ZFWWWQNUSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC001574497358 950233985 /nfs/dbraw/zinc/23/39/85/950233985.db2.gz ZRYXYFFPZXJZLF-BBRMVZONSA-N 1 0 384.440 1.220 20 0 GDADRO C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccco1 ZINC001574497716 950236754 /nfs/dbraw/zinc/23/67/54/950236754.db2.gz BOLICPUNASISEF-HIFRSBDPSA-N 1 0 384.440 1.220 20 0 GDADRO C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccco1 ZINC001574497717 950238561 /nfs/dbraw/zinc/23/85/61/950238561.db2.gz BOLICPUNASISEF-UKRRQHHQSA-N 1 0 384.440 1.220 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)cc(F)c2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901700 950242720 /nfs/dbraw/zinc/24/27/20/950242720.db2.gz PXKLDJJGXNAPAC-MEBBXXQBSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC001574497966 950249327 /nfs/dbraw/zinc/24/93/27/950249327.db2.gz HHPBTNYHYZCVIV-FZMZJTMJSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@H]1[C@@H](NC(=O)c2csnn2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575902082 950250221 /nfs/dbraw/zinc/25/02/21/950250221.db2.gz SEFBHVVCUJPNOM-FZMZJTMJSA-N 1 0 384.469 1.501 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOC1 ZINC001575588792 950252728 /nfs/dbraw/zinc/25/27/28/950252728.db2.gz SPFROIWKKZNZJW-AUUYWEPGSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnns1 ZINC001575902459 950258577 /nfs/dbraw/zinc/25/85/77/950258577.db2.gz VHDOXJHLCMGTSC-TVQRCGJNSA-N 1 0 388.432 1.250 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CCN2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576192788 950264594 /nfs/dbraw/zinc/26/45/94/950264594.db2.gz OYKUGLUFNVRSLN-CRAIPNDOSA-N 1 0 383.500 1.241 20 0 GDADRO C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1C[NH2+]Cc1cscn1 ZINC001576192964 950274991 /nfs/dbraw/zinc/27/49/91/950274991.db2.gz RVSBPEIQFDXDSD-AAEUAGOBSA-N 1 0 386.485 1.539 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ccns1 ZINC001575903371 950278533 /nfs/dbraw/zinc/27/85/33/950278533.db2.gz ZRDASXORUKFZLG-YGRLFVJLSA-N 1 0 387.444 1.855 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576193063 950280958 /nfs/dbraw/zinc/28/09/58/950280958.db2.gz ROIHDBJXYVIKLR-CXAGYDPISA-N 1 0 380.456 1.478 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576193019 950283564 /nfs/dbraw/zinc/28/35/64/950283564.db2.gz QUFVPERAKJRJNP-VXGBXAGGSA-N 1 0 392.895 1.516 20 0 GDADRO C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(F)(F)F ZINC001574498883 950288096 /nfs/dbraw/zinc/28/80/96/950288096.db2.gz QSOADKPUHUNGBH-GWCFXTLKSA-N 1 0 386.378 1.022 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1ccoc1 ZINC001575905486 950293345 /nfs/dbraw/zinc/29/33/45/950293345.db2.gz DDQUNTDARUZCDD-SJCJKPOMSA-N 1 0 384.415 1.921 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575905454 950294645 /nfs/dbraw/zinc/29/46/45/950294645.db2.gz COHCVZPQJIJXSX-SJCJKPOMSA-N 1 0 383.431 1.656 20 0 GDADRO C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576193364 950294940 /nfs/dbraw/zinc/29/49/40/950294940.db2.gz TZVUTBIXCPNPOI-YPMHNXCESA-N 1 0 386.485 1.539 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)c1ccncn1 ZINC001575905442 950295303 /nfs/dbraw/zinc/29/53/03/950295303.db2.gz CKKOJHHVPGFAQB-XHDPSFHLSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)c1ncccn1 ZINC001575905495 950299477 /nfs/dbraw/zinc/29/94/77/950299477.db2.gz DGCFJTBMQIPNLF-NHYWBVRUSA-N 1 0 382.403 1.189 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575905711 950300984 /nfs/dbraw/zinc/30/09/84/950300984.db2.gz DMBBPFFBVQIGGA-MEBBXXQBSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)n1cccn1 ZINC001574499743 950303565 /nfs/dbraw/zinc/30/35/65/950303565.db2.gz WQIINHMERKFRNJ-GFCCVEGCSA-N 1 0 386.485 1.514 20 0 GDADRO CC(C)C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574159357 950305877 /nfs/dbraw/zinc/30/58/77/950305877.db2.gz GCQYITIHPRIIHI-BBRMVZONSA-N 1 0 389.508 1.186 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccon1 ZINC001575906337 950313097 /nfs/dbraw/zinc/31/30/97/950313097.db2.gz HMPFWWIJDYDNIB-GUYCJALGSA-N 1 0 381.440 1.567 20 0 GDADRO C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576194004 950321810 /nfs/dbraw/zinc/32/18/10/950321810.db2.gz XDMFXOZTXPVMFC-RYUDHWBXSA-N 1 0 386.485 1.539 20 0 GDADRO C[C@@]1(C(=O)NCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C2CC2)CCOC1 ZINC001575594008 950329218 /nfs/dbraw/zinc/32/92/18/950329218.db2.gz RAZGLQKZFISQKR-LJQANCHMSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)c1cccnc1 ZINC001575907230 950332073 /nfs/dbraw/zinc/33/20/73/950332073.db2.gz NCMCZJKOWVLWMW-SJKOYZFVSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@@H](CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001574501647 950338733 /nfs/dbraw/zinc/33/87/33/950338733.db2.gz FTIDTTBUOOMCGA-HNNXBMFYSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1cccnc1 ZINC001575907742 950344624 /nfs/dbraw/zinc/34/46/24/950344624.db2.gz QBJGAHUJJIPMDQ-SJKOYZFVSA-N 1 0 381.415 1.794 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1n[nH]cc1F ZINC001575908012 950351359 /nfs/dbraw/zinc/35/13/59/950351359.db2.gz SPEROKMXDYYWDT-LKFCYVNXSA-N 1 0 388.382 1.261 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCc1ccon1 ZINC001575908246 950357257 /nfs/dbraw/zinc/35/72/57/950357257.db2.gz SYVFOHKYPXRNKE-RISCZKNCSA-N 1 0 387.469 1.628 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2ncccc2-c2nn[nH]n2)C1 ZINC001576196437 950361849 /nfs/dbraw/zinc/36/18/49/950361849.db2.gz DMJFQTRQEPMWIZ-GJZGRUSLSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccncn1 ZINC001575908537 950367770 /nfs/dbraw/zinc/36/77/70/950367770.db2.gz UWOWCXDSDRZMMV-KDOFPFPSSA-N 1 0 392.467 1.369 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[nH]n2)CC1 ZINC001576196771 950370317 /nfs/dbraw/zinc/37/03/17/950370317.db2.gz HRWPFYRSQREPCD-OAHLLOKOSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001576196896 950370765 /nfs/dbraw/zinc/37/07/65/950370765.db2.gz IOPCPEHSXYQRRP-AWEZNQCLSA-N 1 0 389.479 1.238 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001574747107 950403895 /nfs/dbraw/zinc/40/38/95/950403895.db2.gz QXELBGYRNUEXFD-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575597694 950419128 /nfs/dbraw/zinc/41/91/28/950419128.db2.gz VPNMPGUGMGOWSR-XFHNUULXSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H]1[C@@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576199216 950419606 /nfs/dbraw/zinc/41/96/06/950419606.db2.gz XLHHXSFBHSUVTN-ZBFHGGJFSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575597860 950419590 /nfs/dbraw/zinc/41/95/90/950419590.db2.gz XXNCFISQNIHDFV-PRXAMGSTSA-N 1 0 376.486 1.339 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCOC1 ZINC001575597870 950422229 /nfs/dbraw/zinc/42/22/29/950422229.db2.gz YKGQLAMQQJVVRZ-YYFZDKIDSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]cc2-c2nn[nH]n2)CCCOC1 ZINC001575599451 950431160 /nfs/dbraw/zinc/43/11/60/950431160.db2.gz JOYULZSSJZBEJZ-MDZRGWNJSA-N 1 0 385.472 1.340 20 0 GDADRO CC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575599613 950433538 /nfs/dbraw/zinc/43/35/38/950433538.db2.gz NMBCTFYMXFEUCG-CYBMUJFWSA-N 1 0 376.411 1.993 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(Cl)no1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574751159 950453008 /nfs/dbraw/zinc/45/30/08/950453008.db2.gz KPDQAIBNNOCJKL-JTQLQIEISA-N 1 0 375.820 1.758 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CNc2ncc(-c3nn[nH]n3)cc2F)C2CC2)C1 ZINC001576204087 950454578 /nfs/dbraw/zinc/45/45/78/950454578.db2.gz LFDMEAPVTIEFIP-ABAIWWIYSA-N 1 0 388.451 1.049 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(F)c[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574751925 950470041 /nfs/dbraw/zinc/47/00/41/950470041.db2.gz RKTUKDDTZSBIDL-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](C[C@H](C)Nc1nccnc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204810 950479546 /nfs/dbraw/zinc/47/95/46/950479546.db2.gz RJZWEIXUHPPKPP-KGLIPLIRSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@H](CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)n1cccn1 ZINC001574508681 950480249 /nfs/dbraw/zinc/48/02/49/950480249.db2.gz MBPYQXUIWUCQFD-CYBMUJFWSA-N 1 0 386.435 1.402 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)CCc1cccnc1 ZINC001575915423 950513131 /nfs/dbraw/zinc/51/31/31/950513131.db2.gz XAKRMLIZVBJZSY-KXBFYZLASA-N 1 0 391.479 1.974 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574995728 950514704 /nfs/dbraw/zinc/51/47/04/950514704.db2.gz IDEIZZQMTBWFMP-LBPRGKRZSA-N 1 0 382.472 1.795 20 0 GDADRO C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574509821 950528501 /nfs/dbraw/zinc/52/85/01/950528501.db2.gz YNRNPFOSXWPXGA-DZKIICNBSA-N 1 0 392.467 1.579 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)cn1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574999017 950564349 /nfs/dbraw/zinc/56/43/49/950564349.db2.gz CXAKQFAPHBGLGY-SNVBAGLBSA-N 1 0 391.838 1.906 20 0 GDADRO CC(C)(C)OCC(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573869563 950569080 /nfs/dbraw/zinc/56/90/80/950569080.db2.gz QKBXMUIJIAVXAK-UHFFFAOYSA-N 1 0 378.502 1.824 20 0 GDADRO C[C@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575917392 950572455 /nfs/dbraw/zinc/57/24/55/950572455.db2.gz XEMMOTFROGVKFV-ZFWWWQNUSA-N 1 0 386.504 1.641 20 0 GDADRO CC(C)(C)OCC(=O)NCCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573869712 950574499 /nfs/dbraw/zinc/57/44/99/950574499.db2.gz BNLYZCRRPSGVCV-UHFFFAOYSA-N 1 0 387.488 1.800 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCN2c2ncccc2-c2nn[nH]n2)C1 ZINC001576206864 950582266 /nfs/dbraw/zinc/58/22/66/950582266.db2.gz ZIZPSCVLUIBYTQ-CABCVRRESA-N 1 0 384.488 1.079 20 0 GDADRO CC1CC[NH+](CC(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001576206912 950585064 /nfs/dbraw/zinc/58/50/64/950585064.db2.gz ZPSWWRUAWJWTKU-SFHVURJKSA-N 1 0 383.500 1.289 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cccc(F)c1F ZINC001574756270 950605499 /nfs/dbraw/zinc/60/54/99/950605499.db2.gz YBZSWSYXLGJUFP-JTQLQIEISA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C)n1ccnc1 ZINC001574513486 950609740 /nfs/dbraw/zinc/60/97/40/950609740.db2.gz QSBCASIMTPEFMN-DAYGRLMNSA-N 1 0 394.483 1.794 20 0 GDADRO CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001576208274 950610843 /nfs/dbraw/zinc/61/08/43/950610843.db2.gz OFBFSIYTLPBBFM-OLMNPRSZSA-N 1 0 396.499 1.220 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574513715 950612689 /nfs/dbraw/zinc/61/26/89/950612689.db2.gz WJKOCJUBRIGXRO-OLZOCXBDSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[C@H](C)n1ccnc1 ZINC001574513579 950613599 /nfs/dbraw/zinc/61/35/99/950613599.db2.gz UKZJTVSADFAVGU-OLZOCXBDSA-N 1 0 386.435 1.448 20 0 GDADRO CC(C)CCC(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574174040 950615133 /nfs/dbraw/zinc/61/51/33/950615133.db2.gz DSQFCEGSCYBOBO-FQEVSTJZSA-N 1 0 386.500 1.746 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)nn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575001125 950623678 /nfs/dbraw/zinc/62/36/78/950623678.db2.gz SSZDWTPKZPVWGT-GFCCVEGCSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@H](CNC(=O)c1cc(N(C)C)ccn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575001888 950645267 /nfs/dbraw/zinc/64/52/67/950645267.db2.gz ODZBWNHXPNZZBN-LLVKDONJSA-N 1 0 386.485 1.297 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575924207 950668129 /nfs/dbraw/zinc/66/81/29/950668129.db2.gz DYKOOPQKSZETGB-GWCFXTLKSA-N 1 0 384.831 1.447 20 0 GDADRO C[C@H](CN(C)C(=O)c1ccccc1O)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574760694 950675691 /nfs/dbraw/zinc/67/56/91/950675691.db2.gz YADFJERKQGTCKB-GFCCVEGCSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@H](CN(C)C(=O)c1cn2c(n1)CCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574760826 950680500 /nfs/dbraw/zinc/68/05/00/950680500.db2.gz MGHOQQQKVQRKGY-LLVKDONJSA-N 1 0 386.485 1.321 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576215272 950691156 /nfs/dbraw/zinc/69/11/56/950691156.db2.gz DYBCQCWKJQOYQN-NHYWBVRUSA-N 1 0 388.447 1.558 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575926955 950725982 /nfs/dbraw/zinc/72/59/82/950725982.db2.gz MZKWFWYILQEXEJ-LRDDRELGSA-N 1 0 381.415 1.467 20 0 GDADRO CC1(C)CC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)C1 ZINC001575629021 950727500 /nfs/dbraw/zinc/72/75/00/950727500.db2.gz IRNPEXZTKOPZOX-UONOGXRCSA-N 1 0 390.513 1.416 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574763647 950727390 /nfs/dbraw/zinc/72/73/90/950727390.db2.gz HFHLQJNICPUXAR-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO CC1(C)CC(C(=O)N[C@@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C23CCC3)C1 ZINC001575629567 950743859 /nfs/dbraw/zinc/74/38/59/950743859.db2.gz PLHJGLICJKMQQK-JKSUJKDBSA-N 1 0 381.484 1.959 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927489 950744891 /nfs/dbraw/zinc/74/48/91/950744891.db2.gz PTLIRXNFBPPMMJ-WPRPVWTQSA-N 1 0 390.860 1.509 20 0 GDADRO CC(C)n1cc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001574764498 950750652 /nfs/dbraw/zinc/75/06/52/950750652.db2.gz UKLYAOQMCCFSMF-AWEZNQCLSA-N 1 0 382.472 1.894 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ncc[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574521443 950779079 /nfs/dbraw/zinc/77/90/79/950779079.db2.gz GGELCSURKIJTMR-NEPJUHHUSA-N 1 0 386.435 1.345 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CC1OCCCO1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574521777 950785621 /nfs/dbraw/zinc/78/56/21/950785621.db2.gz HQCRYTAFICEFAY-KGLIPLIRSA-N 1 0 388.472 1.393 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cccnc1 ZINC001574521819 950790493 /nfs/dbraw/zinc/79/04/93/950790493.db2.gz IFGVQHQKNILBFO-LSDHHAIUSA-N 1 0 379.468 1.877 20 0 GDADRO C[C@H](CN(C)C(=O)c1nccs1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574765709 950796834 /nfs/dbraw/zinc/79/68/34/950796834.db2.gz JSHUGWLIAVUSHO-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=COCCC1 ZINC001574522573 950797585 /nfs/dbraw/zinc/79/75/85/950797585.db2.gz KYBUKOXXQXZITJ-RYUDHWBXSA-N 1 0 376.486 1.995 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncoc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574765899 950802869 /nfs/dbraw/zinc/80/28/69/950802869.db2.gz FUTHIKNSJBLASD-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CN(C)C(=O)c1ncoc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574767082 950835120 /nfs/dbraw/zinc/83/51/20/950835120.db2.gz LMDIGIMIQVCMMR-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CC(C)(C)O ZINC001574524283 950850654 /nfs/dbraw/zinc/85/06/54/950850654.db2.gz VDYGXKQIHNSPBF-RYUDHWBXSA-N 1 0 378.452 1.540 20 0 GDADRO C[C@@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001575934290 950859026 /nfs/dbraw/zinc/85/90/26/950859026.db2.gz RAWSQRGAQKJCOE-ABAIWWIYSA-N 1 0 388.451 1.286 20 0 GDADRO C[C@@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574767637 950861274 /nfs/dbraw/zinc/86/12/74/950861274.db2.gz UFLNVNQIRNXWTO-JTQLQIEISA-N 1 0 384.469 1.590 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1ccon1 ZINC001574524693 950867624 /nfs/dbraw/zinc/86/76/24/950867624.db2.gz YOJLWIGFUAYGLP-NWDGAFQWSA-N 1 0 387.419 1.609 20 0 GDADRO CC1(C)CC(C[NH2+][C@@]2(CO)CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001575639630 950876836 /nfs/dbraw/zinc/87/68/36/950876836.db2.gz UQRQULJOBHUFTC-IBGZPJMESA-N 1 0 387.488 1.188 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnn(C)c1 ZINC001574527224 950882181 /nfs/dbraw/zinc/88/21/81/950882181.db2.gz AUQFRODDEKXFTA-RYUDHWBXSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576227464 950908914 /nfs/dbraw/zinc/90/89/14/950908914.db2.gz CWLPCDNJGNYRSY-CJNGLKHVSA-N 1 0 388.447 1.322 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576228321 950939898 /nfs/dbraw/zinc/93/98/98/950939898.db2.gz HAFVNRDMWJSZSR-KGLIPLIRSA-N 1 0 385.472 1.007 20 0 GDADRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574771812 950940261 /nfs/dbraw/zinc/94/02/61/950940261.db2.gz KSQWTIQJABVYHR-BUXKBTBVSA-N 1 0 390.463 1.493 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cnns1 ZINC001574528881 950943164 /nfs/dbraw/zinc/94/31/64/950943164.db2.gz 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GDADRO C[C@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575023876 951086534 /nfs/dbraw/zinc/08/65/34/951086534.db2.gz RHTMDZRSPGPSHX-SECBINFHSA-N 1 0 377.861 1.885 20 0 GDADRO C[C@H](CNC(=O)c1ccc(N(C)C)nc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575024641 951109146 /nfs/dbraw/zinc/10/91/46/951109146.db2.gz JWHNNLRCQDRFIL-CYBMUJFWSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2cccnc2n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025927 951136384 /nfs/dbraw/zinc/13/63/84/951136384.db2.gz CVKNDECTFPJBCL-GFCCVEGCSA-N 1 0 389.423 1.105 20 0 GDADRO C[C@@H](CNC(=O)c1cccc2c1OCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575029070 951182019 /nfs/dbraw/zinc/18/20/19/951182019.db2.gz RUBZTSVGMCUPOX-ZDUSSCGKSA-N 1 0 378.436 1.710 20 0 GDADRO C[C@H](CNC(=O)c1cccnc1C(F)F)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575032317 951223309 /nfs/dbraw/zinc/22/33/09/951223309.db2.gz XDVJCFXBLYAMHA-JTQLQIEISA-N 1 0 388.382 1.494 20 0 GDADRO C[C@H](CNC(=O)c1ccns1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575034178 951239362 /nfs/dbraw/zinc/23/93/62/951239362.db2.gz IWVPZMLUGQAATN-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO CC(C)n1cnc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001575039700 951334361 /nfs/dbraw/zinc/33/43/61/951334361.db2.gz RYVMHSFTMUXOAD-LBPRGKRZSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575042883 951372836 /nfs/dbraw/zinc/37/28/36/951372836.db2.gz CSFPRLFTROVMFV-LBPRGKRZSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@@H](CNC(=O)c1cncnc1C1CC1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575045383 951425862 /nfs/dbraw/zinc/42/58/62/951425862.db2.gz BHJJCTBXKSSQDS-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)cn1 ZINC001575052628 951468858 /nfs/dbraw/zinc/46/88/58/951468858.db2.gz MTNTWCODJREMSR-LBPRGKRZSA-N 1 0 388.501 1.956 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575054541 951492949 /nfs/dbraw/zinc/49/29/49/951492949.db2.gz XYYQKISCESFPBT-LBPRGKRZSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@@H](CNC(=O)c1cnsn1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575055316 951503461 /nfs/dbraw/zinc/50/34/61/951503461.db2.gz QDRZZQGAVHZFHG-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575058095 951534381 /nfs/dbraw/zinc/53/43/81/951534381.db2.gz URTYFKJPMWIWCO-NSHDSACASA-N 1 0 384.444 1.447 20 0 GDADRO C[C@H](CNC(=O)c1ncoc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575064911 951578196 /nfs/dbraw/zinc/57/81/96/951578196.db2.gz FHBXDJSBIAUZSX-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@H](CNC(=O)c1ncoc1C1CC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575065812 951588592 /nfs/dbraw/zinc/58/85/92/951588592.db2.gz ISVMSHFBCAHTPU-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1occ2c1CCOC2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575067585 951615555 /nfs/dbraw/zinc/61/55/55/951615555.db2.gz VZPRMXFMHZICFP-SNVBAGLBSA-N 1 0 388.453 1.502 20 0 GDADRO CC(C)c1nnsc1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575069889 951646309 /nfs/dbraw/zinc/64/63/09/951646309.db2.gz MZHHYLUDZFQAMJ-LLVKDONJSA-N 1 0 386.485 1.750 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCC1(F)F ZINC001575077248 951663598 /nfs/dbraw/zinc/66/35/98/951663598.db2.gz BCPWSUCQMBXPBA-MFKMUULPSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575077271 951666763 /nfs/dbraw/zinc/66/67/63/951666763.db2.gz BREGFESGVHMZQD-OFSOMGBPSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@H](CNC(=O)[C@@]1(C)CCOC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078032 951677306 /nfs/dbraw/zinc/67/73/06/951677306.db2.gz JISYXYAZGBMJGT-SGTLLEGYSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078155 951677995 /nfs/dbraw/zinc/67/79/95/951677995.db2.gz JJNHBLTZNYGMEJ-ZIAGYGMSSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@H](C[NH2+]C[C@@H](O)C1CCCCC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575078013 951678292 /nfs/dbraw/zinc/67/82/92/951678292.db2.gz JDMFTKGBIJPADZ-MLGOLLRUSA-N 1 0 375.477 1.186 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078842 951684555 /nfs/dbraw/zinc/68/45/55/951684555.db2.gz ANWCRVKTCMTSGG-TZMCWYRMSA-N 1 0 376.436 1.274 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001575079059 951687016 /nfs/dbraw/zinc/68/70/16/951687016.db2.gz PBHFTKAXBPZKDR-SNVBAGLBSA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)COCC(F)F ZINC001575079534 951694165 /nfs/dbraw/zinc/69/41/65/951694165.db2.gz QRYBROYYQWNAHI-JTQLQIEISA-N 1 0 386.378 1.224 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(O)ccc1Cl)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575080012 951701039 /nfs/dbraw/zinc/70/10/39/951701039.db2.gz IWUOZVNQVFRKGG-JTQLQIEISA-N 1 0 389.847 1.804 20 0 GDADRO C[C@H](CNC(=O)C[C@@H]1CCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080558 951713288 /nfs/dbraw/zinc/71/32/88/951713288.db2.gz YDWRMJFLQDAJOW-WFASDCNBSA-N 1 0 376.436 1.417 20 0 GDADRO C[C@@H](CNC(=O)c1nccs1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081217 951722231 /nfs/dbraw/zinc/72/22/31/951722231.db2.gz QAVOEUUIMBJNLM-SNVBAGLBSA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081992 951729767 /nfs/dbraw/zinc/72/97/67/951729767.db2.gz UEQUWVRIMUGUFU-SECBINFHSA-N 1 0 391.432 1.324 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001575088901 951744235 /nfs/dbraw/zinc/74/42/35/951744235.db2.gz COCVFIYAZIBOHW-UKRRQHHQSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089341 951749290 /nfs/dbraw/zinc/74/92/90/951749290.db2.gz GGKZYHJWEDHQTC-XTENKEOPSA-N 1 0 382.468 1.132 20 0 GDADRO C[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090126 951756595 /nfs/dbraw/zinc/75/65/95/951756595.db2.gz JKIQCCXHEWPZBA-UONOGXRCSA-N 1 0 382.472 1.311 20 0 GDADRO C[C@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090907 951765445 /nfs/dbraw/zinc/76/54/45/951765445.db2.gz NYCIXPNTPQRZGP-KBPBESRZSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)Cc1ncccc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090991 951766232 /nfs/dbraw/zinc/76/62/32/951766232.db2.gz MQKBTEFFWPPWAG-CYBMUJFWSA-N 1 0 383.431 1.485 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091122 951770103 /nfs/dbraw/zinc/77/01/03/951770103.db2.gz PKRLXFSYJCWTFV-KGLIPLIRSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575091348 951774138 /nfs/dbraw/zinc/77/41/38/951774138.db2.gz RUSWAIHOLMSLNL-KZULUSFZSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CCCCO1 ZINC001575091476 951776482 /nfs/dbraw/zinc/77/64/82/951776482.db2.gz RYHZPVXDSOLQSA-WBMJQRKESA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575091731 951781873 /nfs/dbraw/zinc/78/18/73/951781873.db2.gz XCRLMWBNJXUEPF-KPZWWZAWSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)c1cnon1)C1CC1 ZINC001575091787 951783231 /nfs/dbraw/zinc/78/32/31/951783231.db2.gz YGLIBRTZYIKDMU-KRWDZBQOSA-N 1 0 386.391 1.077 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)(NC(=O)c1cnon1)C1CC1 ZINC001575091789 951783495 /nfs/dbraw/zinc/78/34/95/951783495.db2.gz YGLIBRTZYIKDMU-QGZVFWFLSA-N 1 0 386.391 1.077 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H](C)n1cccn1 ZINC001575091800 951784085 /nfs/dbraw/zinc/78/40/85/951784085.db2.gz USOXMJKTKRGLHK-OLZOCXBDSA-N 1 0 386.435 1.400 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098150 951822607 /nfs/dbraw/zinc/82/26/07/951822607.db2.gz BMPMACCDVOITOY-QWHCGFSZSA-N 1 0 378.502 1.587 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)COc1cccnc1 ZINC001575099031 951828288 /nfs/dbraw/zinc/82/82/88/951828288.db2.gz HLTBLZWOOBNUIK-GFCCVEGCSA-N 1 0 387.469 1.339 20 0 GDADRO C[C@@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099603 951836703 /nfs/dbraw/zinc/83/67/03/951836703.db2.gz NTQPFFPNYHXDAX-GFCCVEGCSA-N 1 0 378.502 1.729 20 0 GDADRO C[C@@H](CNC(=O)C(C)(C)c1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099911 951842695 /nfs/dbraw/zinc/84/26/95/951842695.db2.gz QDYXGQJOKYCTPZ-LLVKDONJSA-N 1 0 388.501 1.471 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)(NC(=O)c1cocn1)C1CC1 ZINC001575102685 951869909 /nfs/dbraw/zinc/86/99/09/951869909.db2.gz OHNGHLHBVASSKM-GOSISDBHSA-N 1 0 385.403 1.682 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001575104017 951879203 /nfs/dbraw/zinc/87/92/03/951879203.db2.gz AXAQDZSDKFYHDU-DLOVCJGASA-N 1 0 382.390 1.844 20 0 GDADRO C[C@H](CNC(=O)COc1ccccc1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104455 951886485 /nfs/dbraw/zinc/88/64/85/951886485.db2.gz CVBXIEXTPNAXBB-HNNXBMFYSA-N 1 0 380.452 1.788 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1n[nH]cc1F ZINC001575104856 951888685 /nfs/dbraw/zinc/88/86/85/951888685.db2.gz FHZQEJNLSOTBMK-VIFPVBQESA-N 1 0 376.371 1.118 20 0 GDADRO C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001575105588 951896712 /nfs/dbraw/zinc/89/67/12/951896712.db2.gz KVPVUGUAXPNQAW-HUUCEWRRSA-N 1 0 382.472 1.556 20 0 GDADRO C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575106594 951904908 /nfs/dbraw/zinc/90/49/08/951904908.db2.gz SSGFBBMANLXOEQ-RTBURBONSA-N 1 0 388.447 1.370 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)cc1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575106564 951905558 /nfs/dbraw/zinc/90/55/58/951905558.db2.gz SGQLFCIRKKUNFB-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@H](CNC(=O)CCc1ccncn1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107031 951911641 /nfs/dbraw/zinc/91/16/41/951911641.db2.gz XPCUASMHFCMTCZ-AWEZNQCLSA-N 1 0 380.456 1.131 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)COc1ccsc1 ZINC001575107678 951920382 /nfs/dbraw/zinc/92/03/82/951920382.db2.gz HQGXBYUFPNJOGZ-CYBMUJFWSA-N 1 0 386.481 1.944 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1c(F)cncc1F ZINC001575108786 951926667 /nfs/dbraw/zinc/92/66/67/951926667.db2.gz NMVSTOKSBLJOSB-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CNC(=O)c1cc(Cl)n(C)n1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109207 951928003 /nfs/dbraw/zinc/92/80/03/951928003.db2.gz PHLZGSJTPWYLKP-NSHDSACASA-N 1 0 388.863 1.409 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(Cl)n1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109232 951928654 /nfs/dbraw/zinc/92/86/54/951928654.db2.gz QCDZSGCAQGNHDI-LLVKDONJSA-N 1 0 388.863 1.409 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575109678 951931696 /nfs/dbraw/zinc/93/16/96/951931696.db2.gz UEDWFJDUHXITBT-IFXJQAMLSA-N 1 0 392.463 1.807 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575109744 951933816 /nfs/dbraw/zinc/93/38/16/951933816.db2.gz URBPINMSROIJNA-OAHLLOKOSA-N 1 0 391.479 1.930 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cc1ncccc1F ZINC001575109719 951933898 /nfs/dbraw/zinc/93/38/98/951933898.db2.gz UFYAYGLGAUHLGO-ZDUSSCGKSA-N 1 0 383.431 1.580 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575110041 951937404 /nfs/dbraw/zinc/93/74/04/951937404.db2.gz XJEYKTOMKOMJCP-XTENKEOPSA-N 1 0 382.468 1.227 20 0 GDADRO C[C@@H](CNC(=O)COc1ccccc1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113424 951940742 /nfs/dbraw/zinc/94/07/42/951940742.db2.gz BFMBNXJBULZPPN-OAHLLOKOSA-N 1 0 380.452 1.788 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113739 951945910 /nfs/dbraw/zinc/94/59/10/951945910.db2.gz FGAVZFRMZQPXMO-MDASCCDHSA-N 1 0 391.479 1.907 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1Cc2cccnc2C1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114332 951956780 /nfs/dbraw/zinc/95/67/80/951956780.db2.gz PKIRBHPRTQJXLB-RHSMWYFYSA-N 1 0 391.479 1.519 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114748 951959501 /nfs/dbraw/zinc/95/95/01/951959501.db2.gz RZSDGKPYLZEVQE-XTENKEOPSA-N 1 0 382.468 1.132 20 0 GDADRO C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001575115221 951964585 /nfs/dbraw/zinc/96/45/85/951964585.db2.gz WEAQNBRSMSQJOB-IBGZPJMESA-N 1 0 380.456 1.207 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575145236 952179438 /nfs/dbraw/zinc/17/94/38/952179438.db2.gz TXGCDJBMAGALJO-QGZVFWFLSA-N 1 0 384.469 1.080 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CCc1ccccn1)C1CC1 ZINC001575145407 952183260 /nfs/dbraw/zinc/18/32/60/952183260.db2.gz XGBSKSZBIYYQMI-FQEVSTJZSA-N 1 0 392.467 1.408 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575145846 952188565 /nfs/dbraw/zinc/18/85/65/952188565.db2.gz DLDWMFOLNHFMLC-MRVPVSSYSA-N 1 0 378.849 1.366 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575145799 952188681 /nfs/dbraw/zinc/18/86/81/952188681.db2.gz CRNJBCKHLGVHKO-LBPRGKRZSA-N 1 0 379.424 1.191 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575146380 952192726 /nfs/dbraw/zinc/19/27/26/952192726.db2.gz JUSLFKJNANCAPG-MRVPVSSYSA-N 1 0 378.343 1.182 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)COc1ccccc1F ZINC001575147848 952201222 /nfs/dbraw/zinc/20/12/22/952201222.db2.gz WJWMFQDENSDZHM-GFCCVEGCSA-N 1 0 385.403 1.161 20 0 GDADRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001575165976 952318851 /nfs/dbraw/zinc/31/88/51/952318851.db2.gz XUJJOFXIIFCLKX-LLVKDONJSA-N 1 0 376.440 1.001 20 0 GDADRO C[C@H](CNc1ncccc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575169760 952350369 /nfs/dbraw/zinc/35/03/69/952350369.db2.gz SNPXZUITUTWGBC-CQSZACIVSA-N 1 0 386.504 1.785 20 0 GDADRO C[C@@H](Cc1ccccc1F)C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575189373 952455568 /nfs/dbraw/zinc/45/55/68/952455568.db2.gz NYZTXXYQQHNBHG-ZDUSSCGKSA-N 1 0 383.431 1.832 20 0 GDADRO Cc1cc(NC[C@H]2CCN(C(=O)C(C)(C)F)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571118014 952485630 /nfs/dbraw/zinc/48/56/30/952485630.db2.gz RVCAOGBORHDOEI-WCQYABFASA-N 1 0 375.452 1.637 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(C)C ZINC001571121596 952520612 /nfs/dbraw/zinc/52/06/12/952520612.db2.gz AIBPXNLURNQZAF-XJKSGUPXSA-N 1 0 376.436 1.367 20 0 GDADRO C[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571123074 952527519 /nfs/dbraw/zinc/52/75/19/952527519.db2.gz NPXLIHKVESNWML-KWQFWETISA-N 1 0 376.471 1.030 20 0 GDADRO CC[C@H](F)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571123673 952530276 /nfs/dbraw/zinc/53/02/76/952530276.db2.gz UAYFCSADHNUXGS-HOCLYGCPSA-N 1 0 376.436 1.322 20 0 GDADRO CC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2 ZINC001571123418 952531116 /nfs/dbraw/zinc/53/11/16/952531116.db2.gz RSGXPSLXVFTWGF-CYBMUJFWSA-N 1 0 376.486 1.435 20 0 GDADRO CC(F)(F)C(=O)N1CC2(C1)CCC[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001575207533 952533593 /nfs/dbraw/zinc/53/35/93/952533593.db2.gz QXSDUHOSALYHGC-UHFFFAOYSA-N 1 0 376.411 1.946 20 0 GDADRO CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001571124833 952545306 /nfs/dbraw/zinc/54/53/06/952545306.db2.gz VZDCHNYULSWLGQ-ZDUSSCGKSA-N 1 0 377.399 1.734 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccncc2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571126956 952547625 /nfs/dbraw/zinc/54/76/25/952547625.db2.gz APSFJSWJAIKMRV-RDTXWAMCSA-N 1 0 377.452 1.902 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cc1cccnc1 ZINC001571127107 952549940 /nfs/dbraw/zinc/54/99/40/952549940.db2.gz GDSJCNCQFVJHHG-RDTXWAMCSA-N 1 0 377.452 1.583 20 0 GDADRO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC001571127335 952553986 /nfs/dbraw/zinc/55/39/86/952553986.db2.gz DMYDSDXSECFLHK-UHFFFAOYSA-N 1 0 377.452 1.918 20 0 GDADRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 ZINC001571127338 952554259 /nfs/dbraw/zinc/55/42/59/952554259.db2.gz DRSDATOZHNELJT-IRXDYDNUSA-N 1 0 377.452 1.911 20 0 GDADRO Cc1cccnc1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571127608 952558532 /nfs/dbraw/zinc/55/85/32/952558532.db2.gz JSBBXKICRDLNRX-CQSZACIVSA-N 1 0 377.452 1.820 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001571127816 952560831 /nfs/dbraw/zinc/56/08/31/952560831.db2.gz KGMFIBFUWJZLIW-MRXNPFEDSA-N 1 0 377.452 1.904 20 0 GDADRO Cc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571128362 952566394 /nfs/dbraw/zinc/56/63/94/952566394.db2.gz RKRCLXKBRHRRNT-CALCHBBNSA-N 1 0 377.452 1.992 20 0 GDADRO Cc1cccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571128958 952572002 /nfs/dbraw/zinc/57/20/02/952572002.db2.gz ZOOOIVBNFQIMMH-SCLBCKFNSA-N 1 0 377.452 1.820 20 0 GDADRO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)n1 ZINC001571133979 952583878 /nfs/dbraw/zinc/58/38/78/952583878.db2.gz ALENTVFJEDUPLK-MRXNPFEDSA-N 1 0 378.440 1.278 20 0 GDADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(-c4nn[nH]n4)ccn3)C2)n1 ZINC001571134399 952589957 /nfs/dbraw/zinc/58/99/57/952589957.db2.gz HZKPBSGVIJMVQR-OAHLLOKOSA-N 1 0 378.440 1.816 20 0 GDADRO CN(C)c1ccc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001571134619 952592793 /nfs/dbraw/zinc/59/27/93/952592793.db2.gz IHGPKWUOVJDQIZ-HDJSIYSDSA-N 1 0 378.440 1.123 20 0 GDADRO Cc1cc(N2CCN(C(=O)Cc3cnccc3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571134880 952596348 /nfs/dbraw/zinc/59/63/48/952596348.db2.gz MJNXBJWZRGSGLQ-UHFFFAOYSA-N 1 0 378.440 1.165 20 0 GDADRO CCc1ncncc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571134895 952597151 /nfs/dbraw/zinc/59/71/51/952597151.db2.gz MXKUEAIYXGYJBX-HNNXBMFYSA-N 1 0 378.440 1.223 20 0 GDADRO Cc1cc(N2CC[C@@H]3[C@H]2CCCN3C(=O)c2cc[nH]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571135140 952600310 /nfs/dbraw/zinc/60/03/10/952600310.db2.gz POHSHBCXAWLLLQ-HZPDHXFCSA-N 1 0 378.440 1.782 20 0 GDADRO Cc1cncc(C(=O)N2CC[C@@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571135483 952604621 /nfs/dbraw/zinc/60/46/21/952604621.db2.gz YVLSKSMUWIKDPA-AWEZNQCLSA-N 1 0 378.440 1.564 20 0 GDADRO O=C(c1ccccc1O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571136021 952612251 /nfs/dbraw/zinc/61/22/51/952612251.db2.gz KURVAPAQPUPSQK-HNNXBMFYSA-N 1 0 378.436 1.967 20 0 GDADRO CO[C@H](C)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571141085 952630182 /nfs/dbraw/zinc/63/01/82/952630182.db2.gz GPTSDRFAFZOHHJ-OLZOCXBDSA-N 1 0 378.502 1.634 20 0 GDADRO O=C(N[C@@H]1C[C@@H]([NH2+]Cc2ccccn2)C12CCC2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571141004 952630812 /nfs/dbraw/zinc/63/08/12/952630812.db2.gz FHYGLIQFMIQRQK-HZPDHXFCSA-N 1 0 378.440 1.421 20 0 GDADRO O=C(NCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)c1ccnnc1 ZINC001571141937 952637152 /nfs/dbraw/zinc/63/71/52/952637152.db2.gz LAJUESAPSPENTB-UHFFFAOYSA-N 1 0 378.440 1.299 20 0 GDADRO CC[C@@H](OC)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571141998 952637929 /nfs/dbraw/zinc/63/79/29/952637929.db2.gz MWIHJNKOTDVIPZ-TZMCWYRMSA-N 1 0 378.502 1.681 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cnc2n1CCC2 ZINC001571141988 952638322 /nfs/dbraw/zinc/63/83/22/952638322.db2.gz MQLFOBHVAGPLAN-CQSZACIVSA-N 1 0 378.440 1.014 20 0 GDADRO COc1cccc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571142544 952643242 /nfs/dbraw/zinc/64/32/42/952643242.db2.gz WYVUEEDLSGFUFE-CQSZACIVSA-N 1 0 379.424 1.587 20 0 GDADRO CC[C@@H](SC)C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571142528 952643308 /nfs/dbraw/zinc/64/33/08/952643308.db2.gz UBQITJJTYXRTGR-UKRRQHHQSA-N 1 0 378.477 1.838 20 0 GDADRO COc1cccnc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571142612 952644239 /nfs/dbraw/zinc/64/42/39/952644239.db2.gz YIFYSVNWSDRPRB-OAHLLOKOSA-N 1 0 379.424 1.275 20 0 GDADRO Cc1cc(N2CCOC[C@H]2CNC(=O)c2ccccc2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571142652 952645549 /nfs/dbraw/zinc/64/55/49/952645549.db2.gz ZOCZJKNWCWOQHB-OAHLLOKOSA-N 1 0 379.424 1.205 20 0 GDADRO Cc1ncncc1C(=O)N(C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571146606 952650338 /nfs/dbraw/zinc/65/03/38/952650338.db2.gz JQZBAJSLVSVLTA-UHFFFAOYSA-N 1 0 379.428 1.101 20 0 GDADRO O=C(c1ccoc1)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H]2C1 ZINC001571147805 952664658 /nfs/dbraw/zinc/66/46/58/952664658.db2.gz QKLZPIQDKZEMPP-RCBQFDQVSA-N 1 0 379.424 1.629 20 0 GDADRO O=C(NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571150986 952671652 /nfs/dbraw/zinc/67/16/52/952671652.db2.gz IPAHWYYPUZVOFM-UVCSJCCESA-N 1 0 379.468 1.282 20 0 GDADRO Cc1ccc(CC[NH2+][C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C)cc1 ZINC001571151758 952677866 /nfs/dbraw/zinc/67/78/66/952677866.db2.gz WPRWDODUAWMLIS-HOCLYGCPSA-N 1 0 379.468 1.939 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)ncn1 ZINC001571156669 952703483 /nfs/dbraw/zinc/70/34/83/952703483.db2.gz GRWSZFOVWYOKBF-CYBMUJFWSA-N 1 0 379.428 1.067 20 0 GDADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001571167001 952768224 /nfs/dbraw/zinc/76/82/24/952768224.db2.gz SCOMUKLXRAXCKW-GOSISDBHSA-N 1 0 380.427 1.591 20 0 GDADRO CCc1cc(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C)[nH]n1 ZINC001571167235 952771347 /nfs/dbraw/zinc/77/13/47/952771347.db2.gz ZLUAUQVJDRUVCB-LRDDRELGSA-N 1 0 380.456 1.545 20 0 GDADRO Cc1ccncc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571169553 952774320 /nfs/dbraw/zinc/77/43/20/952774320.db2.gz GSDAFMLIAQESNN-XJKSGUPXSA-N 1 0 380.456 1.587 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169499 952775109 /nfs/dbraw/zinc/77/51/09/952775109.db2.gz FBUJLKDGRYVQIJ-IUODEOHRSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]n1 ZINC001571169603 952775782 /nfs/dbraw/zinc/77/57/82/952775782.db2.gz HOKHXBJORJIFFE-OAHLLOKOSA-N 1 0 380.456 1.540 20 0 GDADRO CCn1cccc1C(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571169647 952777128 /nfs/dbraw/zinc/77/71/28/952777128.db2.gz JLSNNNYRMGUUIF-DZGCQCFKSA-N 1 0 380.456 1.516 20 0 GDADRO Cc1ccncc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571169771 952778107 /nfs/dbraw/zinc/77/81/07/952778107.db2.gz MSHUKIVYSUQPEC-AWEZNQCLSA-N 1 0 380.456 1.492 20 0 GDADRO Cc1ccncc1C[N@H+](C)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571170848 952789507 /nfs/dbraw/zinc/78/95/07/952789507.db2.gz XSZPCVCXBGTCHM-INIZCTEOSA-N 1 0 380.456 1.635 20 0 GDADRO CCn1cnc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)c1 ZINC001571170914 952790948 /nfs/dbraw/zinc/79/09/48/952790948.db2.gz ZHFMJHXJFDRKTA-OAHLLOKOSA-N 1 0 380.456 1.430 20 0 GDADRO Cn1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2-c2nn[nH]n2)n1 ZINC001571172018 952800145 /nfs/dbraw/zinc/80/01/45/952800145.db2.gz KOEQGKCHCXFHFL-HZPDHXFCSA-N 1 0 380.456 1.431 20 0 GDADRO Cn1cnc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2(C)C)c1 ZINC001571172274 952804367 /nfs/dbraw/zinc/80/43/67/952804367.db2.gz RPNOKHMLIKAEEE-MRXNPFEDSA-N 1 0 380.456 1.241 20 0 GDADRO O[C@H](C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)c1cccc(-c2nn[nH]n2)c1 ZINC001571172577 952808930 /nfs/dbraw/zinc/80/89/30/952808930.db2.gz XOVNFRJYWFVZQW-HZPDHXFCSA-N 1 0 380.456 1.317 20 0 GDADRO Cc1ccc(C(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c(F)c1 ZINC001571178294 952838934 /nfs/dbraw/zinc/83/89/34/952838934.db2.gz FKOBTAYYWQVJNL-CYBMUJFWSA-N 1 0 381.415 1.705 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)c1ccc(F)cn1 ZINC001571178687 952844778 /nfs/dbraw/zinc/84/47/78/952844778.db2.gz RAYILTZUGIUKRB-MLGOLLRUSA-N 1 0 381.415 1.794 20 0 GDADRO Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)o1 ZINC001571179215 952850277 /nfs/dbraw/zinc/85/02/77/952850277.db2.gz ACNFPWSCRXGOAQ-DIFFPNOSSA-N 1 0 381.440 1.395 20 0 GDADRO Cc1noc(C)c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571181819 952866061 /nfs/dbraw/zinc/86/60/61/952866061.db2.gz YQZMIZGAPJBQHL-MRXNPFEDSA-N 1 0 381.440 1.405 20 0 GDADRO Cc1nc(C(=O)N2CC[C@H]([C@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571181938 952866531 /nfs/dbraw/zinc/86/65/31/952866531.db2.gz ZVJQJFITMRVAJQ-LRDDRELGSA-N 1 0 381.440 1.804 20 0 GDADRO Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)c1 ZINC001571182670 952867583 /nfs/dbraw/zinc/86/75/83/952867583.db2.gz BDAUIKATQUINTA-SHTZXODSSA-N 1 0 381.415 1.760 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC001571182842 952870135 /nfs/dbraw/zinc/87/01/35/952870135.db2.gz HNHGCCYMFIYBSG-UHFFFAOYSA-N 1 0 381.440 1.598 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ccccn1 ZINC001571182839 952870160 /nfs/dbraw/zinc/87/01/60/952870160.db2.gz HKYRIDFFRFBECV-UHFFFAOYSA-N 1 0 381.415 1.699 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc[nH]c3)C2)cc1-c1nn[nH]n1 ZINC001571183080 952873195 /nfs/dbraw/zinc/87/31/95/952873195.db2.gz NTYGBQWCUABOBQ-HNNXBMFYSA-N 1 0 381.440 1.550 20 0 GDADRO COc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571183053 952873426 /nfs/dbraw/zinc/87/34/26/952873426.db2.gz NAPYGHKZUWNDGF-SWLSCSKDSA-N 1 0 381.440 1.596 20 0 GDADRO CCc1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)no1 ZINC001571183168 952874315 /nfs/dbraw/zinc/87/43/15/952874315.db2.gz QWQJTACNBLGVON-HNNXBMFYSA-N 1 0 381.440 1.812 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001571183195 952874665 /nfs/dbraw/zinc/87/46/65/952874665.db2.gz SDAXOZDNBBSWHT-YGUOUDRMSA-N 1 0 381.415 1.699 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccncc1F ZINC001571183259 952874922 /nfs/dbraw/zinc/87/49/22/952874922.db2.gz USCQDUHUUUCJTB-OAHLLOKOSA-N 1 0 381.415 1.795 20 0 GDADRO C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571183216 952874998 /nfs/dbraw/zinc/87/49/98/952874998.db2.gz SSRHMILQEMSYQC-UONOGXRCSA-N 1 0 381.440 1.558 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001571183512 952878967 /nfs/dbraw/zinc/87/89/67/952878967.db2.gz CIUDJKRWBXNRMB-LBPRGKRZSA-N 1 0 381.444 1.015 20 0 GDADRO Cc1[nH]nc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)c1C ZINC001571186305 952906982 /nfs/dbraw/zinc/90/69/82/952906982.db2.gz WDECDGBBZCVJKT-TZMCWYRMSA-N 1 0 381.444 1.034 20 0 GDADRO Cc1c[nH]c(C(=O)N2CC[C@@H](C)C[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)n1 ZINC001571186284 952907248 /nfs/dbraw/zinc/90/72/48/952907248.db2.gz VKTSHUGHTMTVFJ-YPMHNXCESA-N 1 0 381.444 1.068 20 0 GDADRO Cc1cnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nc1 ZINC001571188152 952912100 /nfs/dbraw/zinc/91/21/00/952912100.db2.gz GUMZRMXOZHDNDX-ZIAGYGMSSA-N 1 0 381.444 1.124 20 0 GDADRO Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)ncn1 ZINC001571188378 952913210 /nfs/dbraw/zinc/91/32/10/952913210.db2.gz JWTVNQLHIDYVFY-AWEZNQCLSA-N 1 0 381.444 1.078 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]cc2-c2nn[nH]n2)[nH]1 ZINC001571188988 952923045 /nfs/dbraw/zinc/92/30/45/952923045.db2.gz LIKJGISKSAMFOT-HUUCEWRRSA-N 1 0 381.444 1.177 20 0 GDADRO Cc1nc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2C)c[nH]1 ZINC001571189547 952930764 /nfs/dbraw/zinc/93/07/64/952930764.db2.gz XCBGIEBILHWDJZ-YPMHNXCESA-N 1 0 381.444 1.129 20 0 GDADRO Cc1noc(C)c1C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571201728 953020146 /nfs/dbraw/zinc/02/01/46/953020146.db2.gz NRHXDCFXKUNRPL-YMTOWFKASA-N 1 0 382.428 1.430 20 0 GDADRO O=C(c1ccncn1)N1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571202444 953024846 /nfs/dbraw/zinc/02/48/46/953024846.db2.gz XEDOPNKXCASYSV-AWEZNQCLSA-N 1 0 382.403 1.190 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CN(C(=O)c2ccco2)CCO1 ZINC001571202525 953026376 /nfs/dbraw/zinc/02/63/76/953026376.db2.gz ZZVBHXCKKTXYHT-GUYCJALGSA-N 1 0 382.424 1.479 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CN(C(=O)c2ccco2)CCO1 ZINC001571202524 953026736 /nfs/dbraw/zinc/02/67/36/953026736.db2.gz ZZVBHXCKKTXYHT-DYVFJYSZSA-N 1 0 382.424 1.479 20 0 GDADRO Cc1nc(C(=O)N[C@@H](C)[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)co1 ZINC001571202731 953028132 /nfs/dbraw/zinc/02/81/32/953028132.db2.gz XNNISHVCTPONGJ-AAEUAGOBSA-N 1 0 382.428 1.593 20 0 GDADRO Cc1ncoc1C[NH2+][C@@H]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 ZINC001571204927 953034096 /nfs/dbraw/zinc/03/40/96/953034096.db2.gz DHLHCQVZNCGNBR-HUUCEWRRSA-N 1 0 382.428 1.322 20 0 GDADRO O=C([C@@H]1CC12CCOCC2)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571209852 953067684 /nfs/dbraw/zinc/06/76/84/953067684.db2.gz GRLJQOSDSYFHRM-SJORKVTESA-N 1 0 382.468 1.374 20 0 GDADRO O=C([C@@H]1CCOC1)N1CC2(C1)CC[NH+](Cc1cccc(-c3nn[nH]n3)c1)CC2 ZINC001571210341 953071611 /nfs/dbraw/zinc/07/16/11/953071611.db2.gz PGLUEHISVUSZFH-QGZVFWFLSA-N 1 0 382.468 1.328 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001571214324 953101768 /nfs/dbraw/zinc/10/17/68/953101768.db2.gz XIKURGGZJLULSC-UHFFFAOYSA-N 1 0 382.472 1.069 20 0 GDADRO O=C(N[C@H]1CC[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C1)C12CC[NH+](CC1)C2 ZINC001571216876 953104277 /nfs/dbraw/zinc/10/42/77/953104277.db2.gz BKAUFFMQZAOJKQ-KGLIPLIRSA-N 1 0 382.472 1.054 20 0 GDADRO O=C(N[C@@H]1CC[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1)C12CC[NH+](CC1)C2 ZINC001571216877 953104851 /nfs/dbraw/zinc/10/48/51/953104851.db2.gz BKAUFFMQZAOJKQ-UONOGXRCSA-N 1 0 382.472 1.054 20 0 GDADRO COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccon3)C2)cc1-c1nn[nH]n1 ZINC001571218829 953119558 /nfs/dbraw/zinc/11/95/58/953119558.db2.gz FFMBZTQLKNDXEQ-UHFFFAOYSA-N 1 0 383.412 1.162 20 0 GDADRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3cnco3)C2)cc1-c1nn[nH]n1 ZINC001571218993 953121717 /nfs/dbraw/zinc/12/17/17/953121717.db2.gz IZLMXXAVEZDXRA-YPMHNXCESA-N 1 0 383.412 1.256 20 0 GDADRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccon3)C2)cc1-c1nn[nH]n1 ZINC001571219039 953122161 /nfs/dbraw/zinc/12/21/61/953122161.db2.gz JYDDQIIJMCHENB-ZDUSSCGKSA-N 1 0 383.412 1.258 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ncoc2C)C1 ZINC001571219457 953125970 /nfs/dbraw/zinc/12/59/70/953125970.db2.gz OQVUOYQJSPGJEG-OKILXGFUSA-N 1 0 383.412 1.222 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001571219922 953127721 /nfs/dbraw/zinc/12/77/21/953127721.db2.gz TUPHWRGMTUVHRA-AWEZNQCLSA-N 1 0 383.412 1.210 20 0 GDADRO Cc1nonc1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001571224747 953150372 /nfs/dbraw/zinc/15/03/72/953150372.db2.gz FLJAURKMLPOWFI-YPMHNXCESA-N 1 0 383.416 1.049 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571229237 953168633 /nfs/dbraw/zinc/16/86/33/953168633.db2.gz BFKOZTNJABTKDJ-MLGOLLRUSA-N 1 0 383.431 1.595 20 0 GDADRO Cc1[nH]ccc1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571230327 953176292 /nfs/dbraw/zinc/17/62/92/953176292.db2.gz VJVMLQQXZRICNQ-HNNXBMFYSA-N 1 0 383.431 1.989 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CN1C(=O)Cc1ccc[nH]1 ZINC001571230393 953176909 /nfs/dbraw/zinc/17/69/09/953176909.db2.gz WZJGXSJMHKTUEI-SWLSCSKDSA-N 1 0 383.431 1.656 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1CNC(=O)c1cc[nH]c1 ZINC001571230521 953177331 /nfs/dbraw/zinc/17/73/31/953177331.db2.gz XIDQXCTWFWLYAU-IUODEOHRSA-N 1 0 383.431 1.832 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571232914 953189796 /nfs/dbraw/zinc/18/97/96/953189796.db2.gz MDGFJDBAAUDTJI-CRFBAAHOSA-N 1 0 383.456 1.224 20 0 GDADRO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)cs1 ZINC001571233971 953197341 /nfs/dbraw/zinc/19/73/41/953197341.db2.gz JKZOGZLLVUKTBN-CZUORRHYSA-N 1 0 383.481 1.911 20 0 GDADRO O=C(CCc1ccncc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571233970 953197484 /nfs/dbraw/zinc/19/74/84/953197484.db2.gz JKPBRHOJTDYGOK-CQSZACIVSA-N 1 0 383.481 1.647 20 0 GDADRO CCc1ncsc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571234480 953201985 /nfs/dbraw/zinc/20/19/85/953201985.db2.gz ZLRRNWCQIDYPNT-HDJSIYSDSA-N 1 0 383.481 1.936 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H]1C ZINC001571240057 953245832 /nfs/dbraw/zinc/24/58/32/953245832.db2.gz YOIGGYDLYVHQBB-NHYWBVRUSA-N 1 0 384.419 1.430 20 0 GDADRO O=C(c1cn[nH]c1)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571241528 953247481 /nfs/dbraw/zinc/24/74/81/953247481.db2.gz CBOJXNCRXPKNPJ-UHFFFAOYSA-N 1 0 384.419 1.371 20 0 GDADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1n[nH]cc1F ZINC001571242246 953254904 /nfs/dbraw/zinc/25/49/04/953254904.db2.gz XQMQHONQRZAZHU-ZDUSSCGKSA-N 1 0 384.419 1.371 20 0 GDADRO CN(C[C@@H]1CCN(C(=O)Cc2cscn2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571244581 953265294 /nfs/dbraw/zinc/26/52/94/953265294.db2.gz BNMMESXVADTCEE-LBPRGKRZSA-N 1 0 384.469 1.246 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2cnsn2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571244690 953265962 /nfs/dbraw/zinc/26/59/62/953265962.db2.gz FDQONIRLMVUNGA-DZGCQCFKSA-N 1 0 384.469 1.501 20 0 GDADRO C[C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571244707 953266761 /nfs/dbraw/zinc/26/67/61/953266761.db2.gz FSSAPTGXCJXYEE-IAQYHMDHSA-N 1 0 384.469 1.032 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245158 953270975 /nfs/dbraw/zinc/27/09/75/953270975.db2.gz DUHZAVGRNGFKQO-BXUZGUMPSA-N 1 0 384.469 1.493 20 0 GDADRO CC1(C)CN(C(=O)c2csnn2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571245425 953274126 /nfs/dbraw/zinc/27/41/26/953274126.db2.gz IFHQYVKECFWNAA-AWEZNQCLSA-N 1 0 384.469 1.359 20 0 GDADRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)nn1 ZINC001571245817 953276852 /nfs/dbraw/zinc/27/68/52/953276852.db2.gz ZLSNXMGVDOYKPE-YPMHNXCESA-N 1 0 384.469 1.419 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)C1CCCC1 ZINC001571246106 953280284 /nfs/dbraw/zinc/28/02/84/953280284.db2.gz SPQMDXWUJAFEOO-OSYLJGHBSA-N 1 0 384.459 1.990 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571246306 953282846 /nfs/dbraw/zinc/28/28/46/953282846.db2.gz XTXCKTQQJJNXED-FJBDOQBJSA-N 1 0 384.459 1.988 20 0 GDADRO C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@H]1CCCN1C(=O)[C@@]1(C)CCOC1 ZINC001571247801 953286553 /nfs/dbraw/zinc/28/65/53/953286553.db2.gz FIVWFPQUPLFIGG-UZLBHIALSA-N 1 0 384.484 1.716 20 0 GDADRO Cc1nnsc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H]1C ZINC001571247878 953286855 /nfs/dbraw/zinc/28/68/55/953286855.db2.gz HBLUBFBNCNDGIJ-BXUZGUMPSA-N 1 0 384.469 1.419 20 0 GDADRO Cc1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C)o1 ZINC001571248090 953289717 /nfs/dbraw/zinc/28/97/17/953289717.db2.gz DOXWMTBRBCQJGR-IINYFYTJSA-N 1 0 384.444 1.440 20 0 GDADRO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571248152 953289966 /nfs/dbraw/zinc/28/99/66/953289966.db2.gz MJXDRQPMFNETII-BNEJOLLZSA-N 1 0 384.484 1.476 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H]2[C@H]1CCN2Cc1ccns1 ZINC001571248207 953290979 /nfs/dbraw/zinc/29/09/79/953290979.db2.gz NKFMVPBOHOAZLC-HUUCEWRRSA-N 1 0 384.469 1.530 20 0 GDADRO Cc1nscc1C(=O)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571248354 953292535 /nfs/dbraw/zinc/29/25/35/953292535.db2.gz RHXQCYMBWAAGHZ-UHFFFAOYSA-N 1 0 384.469 1.413 20 0 GDADRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CCOCC1 ZINC001571249002 953299774 /nfs/dbraw/zinc/29/97/74/953299774.db2.gz AQFFUECIJNLEBN-QZTJIDSGSA-N 1 0 384.484 1.810 20 0 GDADRO Cc1conc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571248969 953299820 /nfs/dbraw/zinc/29/98/20/953299820.db2.gz NAYMJIBKMBJUAZ-UHFFFAOYSA-N 1 0 384.444 1.437 20 0 GDADRO Cc1ncc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)o1 ZINC001571248973 953299911 /nfs/dbraw/zinc/29/99/11/953299911.db2.gz NDMICZMNDGHMDX-CQSZACIVSA-N 1 0 384.444 1.666 20 0 GDADRO C[C@@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001571249920 953307746 /nfs/dbraw/zinc/30/77/46/953307746.db2.gz MTCSRQMRXPVJNU-HIFRSBDPSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571249954 953308481 /nfs/dbraw/zinc/30/84/81/953308481.db2.gz MVUBJTDGRWQOKJ-KBPBESRZSA-N 1 0 384.488 1.252 20 0 GDADRO O=C(C[C@@H]1CCCCO1)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571249913 953308603 /nfs/dbraw/zinc/30/86/03/953308603.db2.gz MNCOVSFMNFGMRT-VJFUWPCTSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001571250501 953311743 /nfs/dbraw/zinc/31/17/43/953311743.db2.gz QJUNRVLRAQIQGF-ZBFHGGJFSA-N 1 0 384.488 1.077 20 0 GDADRO O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)C1CCOCC1 ZINC001571250677 953312524 /nfs/dbraw/zinc/31/25/24/953312524.db2.gz SDUVFFKFXYPVLK-MAUKXSAKSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571250618 953312810 /nfs/dbraw/zinc/31/28/10/953312810.db2.gz REDTYCPVUJGBNW-ZFWWWQNUSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571251422 953317771 /nfs/dbraw/zinc/31/77/71/953317771.db2.gz XKYCFSYLQRZDKD-LSDHHAIUSA-N 1 0 384.488 1.254 20 0 GDADRO Cc1nc(N(C)[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571251855 953320415 /nfs/dbraw/zinc/32/04/15/953320415.db2.gz BFMFWTNQTKZCQV-GDBMZVCRSA-N 1 0 384.488 1.092 20 0 GDADRO C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001571252247 953325066 /nfs/dbraw/zinc/32/50/66/953325066.db2.gz IRHKGTNEKADFDI-CABCVRRESA-N 1 0 384.488 1.397 20 0 GDADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC(CCNc3ncccc3-c3nn[nH]n3)CC2)C1 ZINC001571252530 953329592 /nfs/dbraw/zinc/32/95/92/953329592.db2.gz OTGKZOMBPVULMV-OAHLLOKOSA-N 1 0 384.488 1.254 20 0 GDADRO Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1-c1nn[nH]n1 ZINC001571252840 953333184 /nfs/dbraw/zinc/33/31/84/953333184.db2.gz WKKCEMUQYAJCQS-ZBFHGGJFSA-N 1 0 384.488 1.139 20 0 GDADRO Cc1nc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)o1 ZINC001571254057 953336016 /nfs/dbraw/zinc/33/60/16/953336016.db2.gz CQOZCFWMWXGTHI-BETUJISGSA-N 1 0 385.403 1.661 20 0 GDADRO CN1C(=O)C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)n2)[C@H]1c1ccc(F)c(F)c1 ZINC001571254709 953341694 /nfs/dbraw/zinc/34/16/94/953341694.db2.gz GILKWKPLUKFCRO-DOTOQJQBSA-N 1 0 385.378 1.602 20 0 GDADRO Cc1nc(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571255237 953346551 /nfs/dbraw/zinc/34/65/51/953346551.db2.gz NEPFJMSUQKUWNR-AWEZNQCLSA-N 1 0 385.403 1.615 20 0 GDADRO C[C@H](C(=O)NC1CC[NH+](CC(=O)[O-])CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000868447861 956019698 /nfs/dbraw/zinc/01/96/98/956019698.db2.gz YFGXKQYYNFJIOL-QGZVFWFLSA-N 1 0 387.524 1.995 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C[C@H]1C[NH+](C)C ZINC001121845098 957222128 /nfs/dbraw/zinc/22/21/28/957222128.db2.gz WKHWKCQGCIDONA-RGCFKVTRSA-N 1 0 388.512 1.680 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000874417429 969394826 /nfs/dbraw/zinc/39/48/26/969394826.db2.gz KHCURQFCLAGNCQ-UHFFFAOYSA-N 1 0 380.464 1.448 20 0 GDADRO C[C@H]1C[C@@H](O)C[NH+](Cc2c(C[N@H+]3C[C@H](O)C[C@H](C)C3)cccc2C(=O)[O-])C1 ZINC001599934138 985366967 /nfs/dbraw/zinc/36/69/67/985366967.db2.gz YYBOWRIVNVWAOY-CWLKWCNXSA-N 1 0 376.497 1.790 20 0 GDADRO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001594518896 985936771 /nfs/dbraw/zinc/93/67/71/985936771.db2.gz FQEYRYXMTODGLT-KRWDZBQOSA-N 1 0 388.512 1.973 20 0 GDADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001594542076 986177810 /nfs/dbraw/zinc/17/78/10/986177810.db2.gz CGEFBZUJQHKEBT-FUHWJXTLSA-N 1 0 388.512 1.697 20 0 GDADRO CN(C(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccccc1C(=O)[O-] ZINC001598022435 990214200 /nfs/dbraw/zinc/21/42/00/990214200.db2.gz FTYYFVQPTNFRDS-YJBOKZPZSA-N 1 0 375.469 1.566 20 0 GDADRO C[N@@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C(=O)[O-])C1 ZINC001598605902 993655278 /nfs/dbraw/zinc/65/52/78/993655278.db2.gz QVKQYYVWKMJSER-SFHVURJKSA-N 1 0 388.512 1.064 20 0 GDADRO COc1cccc([C@H](CNC(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)[NH+](C)C)c1 ZINC001599658578 994621295 /nfs/dbraw/zinc/62/12/95/994621295.db2.gz UESHLNMNEDJPKV-QAPCUYQASA-N 1 0 392.500 1.488 20 0 GDADRO COC(=O)[C@@H]1C[N@H+](C[C@H](C)C[NH+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@H]1C1CC1 ZINC001598898919 997137113 /nfs/dbraw/zinc/13/71/13/997137113.db2.gz PVRPIGMPXJTHNJ-CAEUUNHDSA-N 1 0 378.513 1.796 20 0 GDADRO O=C1c2ccccc2C(=O)N1Cc1n[nH]cc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC001620905143 1126243784 /nfs/dbraw/zinc/24/37/84/1126243784.db2.gz FDWIGNXGXDBBND-KRWDZBQOSA-N 1 0 390.443 1.899 20 0 GDADRO C[NH+](C)C1CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000158490806 530533217 /nfs/dbraw/zinc/53/32/17/530533217.db2.gz JGILIDQZEOBZHI-UHFFFAOYSA-N 1 0 379.258 1.322 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000159101747 530539692 /nfs/dbraw/zinc/53/96/92/530539692.db2.gz JSTVSPATXOWJHS-GFCCVEGCSA-N 1 0 376.548 1.364 20 0 GDADRO CN(CCNC(=O)NCCC1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000159134891 530540660 /nfs/dbraw/zinc/54/06/60/530540660.db2.gz ZVQMHOPLNWCBMZ-UHFFFAOYSA-N 1 0 388.559 1.400 20 0 GDADRO CC(C)[C@H](CCO)[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000161867827 530564452 /nfs/dbraw/zinc/56/44/52/530564452.db2.gz BIOHPMZXIXWOEQ-HOCLYGCPSA-N 1 0 388.555 1.260 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000162632781 530569287 /nfs/dbraw/zinc/56/92/87/530569287.db2.gz GUXVKUXGNIXXCY-CYBMUJFWSA-N 1 0 389.449 1.713 20 0 GDADRO C[N@H+](CCNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C1CCCC1 ZINC000162955880 530572312 /nfs/dbraw/zinc/57/23/12/530572312.db2.gz GSCDTNKGRCNUPN-UHFFFAOYSA-N 1 0 377.869 1.731 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CCO1 ZINC000163032249 530573041 /nfs/dbraw/zinc/57/30/41/530573041.db2.gz JZFAFWSNJADGLK-XHDPSFHLSA-N 1 0 379.258 1.823 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CCO1 ZINC000163032365 530573075 /nfs/dbraw/zinc/57/30/75/530573075.db2.gz JZFAFWSNJADGLK-IAQYHMDHSA-N 1 0 379.258 1.823 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 ZINC000163415782 530575806 /nfs/dbraw/zinc/57/58/06/530575806.db2.gz LRMMUKUGBPUUJG-UHFFFAOYSA-N 1 0 387.311 1.994 20 0 GDADRO O=C(CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1)N1CCOCC1 ZINC000163814855 530577780 /nfs/dbraw/zinc/57/77/80/530577780.db2.gz XOELIYWMBKQZGN-UHFFFAOYSA-N 1 0 396.329 1.816 20 0 GDADRO C[C@H](CNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[NH+](C)C ZINC000025149238 530580093 /nfs/dbraw/zinc/58/00/93/530580093.db2.gz KFGZMECRPBMAJS-SNVBAGLBSA-N 1 0 382.258 1.502 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1cccs1 ZINC000170799339 530589728 /nfs/dbraw/zinc/58/97/28/530589728.db2.gz CXXIBLUGKZZNIL-DOMZBBRYSA-N 1 0 380.495 1.197 20 0 GDADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000028852693 530593268 /nfs/dbraw/zinc/59/32/68/530593268.db2.gz MEPJTBQBMJVGCC-NSHDSACASA-N 1 0 379.404 1.937 20 0 GDADRO C[C@H](CNC(=O)CCOc1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000171136466 530594743 /nfs/dbraw/zinc/59/47/43/530594743.db2.gz HFFYRQLKAQVWJQ-CQSZACIVSA-N 1 0 384.318 1.970 20 0 GDADRO CC(C)(O)C[NH+]1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000171152133 530594868 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CC(=O)Nc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1Br ZINC000183143304 530810093 /nfs/dbraw/zinc/81/00/93/530810093.db2.gz DAVZEWBWWOAPTJ-LLVKDONJSA-N 1 0 390.303 1.746 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)c1 ZINC000183163616 530810535 /nfs/dbraw/zinc/81/05/35/530810535.db2.gz VBXTZRLFSDDKGQ-GFCCVEGCSA-N 1 0 391.287 1.608 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000093821311 530813897 /nfs/dbraw/zinc/81/38/97/530813897.db2.gz BTIJYEMACUWRHS-INIZCTEOSA-N 1 0 382.302 1.893 20 0 GDADRO C[N@@H+]1CCCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000097414056 530820748 /nfs/dbraw/zinc/82/07/48/530820748.db2.gz HYACXGNIYCJYHV-UHFFFAOYSA-N 1 0 386.265 1.872 20 0 GDADRO O=C(CSCc1cc(=O)n2ccsc2n1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108307773 530856837 /nfs/dbraw/zinc/85/68/37/530856837.db2.gz MBNBPKNVBIPQJI-ZDUSSCGKSA-N 1 0 378.523 1.590 20 0 GDADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCSc2ccncc21 ZINC000186535156 530857378 /nfs/dbraw/zinc/85/73/78/530857378.db2.gz MVTNFMTZJKFBOR-UHFFFAOYSA-N 1 0 381.527 1.758 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000186768543 530861400 /nfs/dbraw/zinc/86/14/00/530861400.db2.gz YDDIEMQTOJZZJE-JOYOIKCWSA-N 1 0 375.288 1.580 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)CC[N@H+](C)C2CC2)s1 ZINC000186776693 530862130 /nfs/dbraw/zinc/86/21/30/530862130.db2.gz UDKUUYDMITVAEO-HNNXBMFYSA-N 1 0 385.555 1.762 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000186804721 530863268 /nfs/dbraw/zinc/86/32/68/530863268.db2.gz HRDHVMABQASTBI-HIFRSBDPSA-N 1 0 385.555 1.579 20 0 GDADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C1CCN(CC(=O)NC)CC1 ZINC000187118968 530867535 /nfs/dbraw/zinc/86/75/35/530867535.db2.gz IKHYHZPOQTXPPD-UHFFFAOYSA-N 1 0 387.933 1.434 20 0 GDADRO CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000110609062 530869056 /nfs/dbraw/zinc/86/90/56/530869056.db2.gz HVBMWNMVEVJKKG-UHFFFAOYSA-N 1 0 380.495 1.356 20 0 GDADRO C[NH+](C)CCN1CCC(NC(=O)N2CCSC[C@@H]2c2nccs2)CC1 ZINC000185124175 530837283 /nfs/dbraw/zinc/83/72/83/530837283.db2.gz VKJUHZYNGRTSBE-OAHLLOKOSA-N 1 0 383.587 1.969 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c(Br)o1 ZINC000185237504 530838408 /nfs/dbraw/zinc/83/84/08/530838408.db2.gz IKDTXXZZUDHFBJ-UHFFFAOYSA-N 1 0 395.275 1.543 20 0 GDADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000185256756 530838532 /nfs/dbraw/zinc/83/85/32/530838532.db2.gz MFMGBXVQEPHYDM-OAHLLOKOSA-N 1 0 388.555 1.418 20 0 GDADRO C[C@H](CNC(=O)N1CCSC[C@@H]1c1nccs1)C[NH+]1CCN(C)CC1 ZINC000185462733 530842245 /nfs/dbraw/zinc/84/22/45/530842245.db2.gz YJWQFHCWXUCURE-HUUCEWRRSA-N 1 0 383.587 1.826 20 0 GDADRO Cn1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1N ZINC000185503887 530843471 /nfs/dbraw/zinc/84/34/71/530843471.db2.gz UMLDRYYNGCMVEJ-UHFFFAOYSA-N 1 0 380.290 1.969 20 0 GDADRO C[NH+](C)C1(CNC(=O)c2cc(I)c[nH]2)CCOCC1 ZINC000115386806 530899894 /nfs/dbraw/zinc/89/98/94/530899894.db2.gz AGVZKPHBEVSYDC-UHFFFAOYSA-N 1 0 377.226 1.460 20 0 GDADRO C[C@H]([NH2+]CCOCC(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000188757767 530901021 /nfs/dbraw/zinc/90/10/21/530901021.db2.gz FGNLHURVVODLDH-ZDUSSCGKSA-N 1 0 378.441 1.640 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)ncc2Cl)CC1 ZINC000188867368 530903012 /nfs/dbraw/zinc/90/30/12/530903012.db2.gz NUNLMQBATXZFPC-UHFFFAOYSA-N 1 0 375.698 1.865 20 0 GDADRO CC1CCC(NS(=O)(=O)CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116231217 530903507 /nfs/dbraw/zinc/90/35/07/530903507.db2.gz LUSOODRYWWGFPZ-UYSNPLJNSA-N 1 0 375.579 1.967 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2sccc2Br)CC1 ZINC000189118487 530908261 /nfs/dbraw/zinc/90/82/61/530908261.db2.gz IGFZYZIUKFYLCW-LLVKDONJSA-N 1 0 396.376 1.815 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000189116107 530908431 /nfs/dbraw/zinc/90/84/31/530908431.db2.gz XQGMSHWQFXGDMB-ZDUSSCGKSA-N 1 0 377.457 1.592 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cc(OC)ccc3Cl)C2)CC1 ZINC000112362391 530881217 /nfs/dbraw/zinc/88/12/17/530881217.db2.gz QGYUZGBCRIRLIM-AWEZNQCLSA-N 1 0 387.933 1.749 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000188099094 530884671 /nfs/dbraw/zinc/88/46/71/530884671.db2.gz JEWNHIKYFKJJTI-UHFFFAOYSA-N 1 0 386.290 1.699 20 0 GDADRO C[NH+](C)CCC1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000112925080 530885338 /nfs/dbraw/zinc/88/53/38/530885338.db2.gz QHCXWZJTCOJOSU-UHFFFAOYSA-N 1 0 393.962 1.870 20 0 GDADRO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188223451 530889654 /nfs/dbraw/zinc/88/96/54/530889654.db2.gz BLMDCKCASARWKJ-GXFFZTMASA-N 1 0 375.853 1.763 20 0 GDADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000188251017 530889981 /nfs/dbraw/zinc/88/99/81/530889981.db2.gz ZQACVVHALKEASN-UHFFFAOYSA-N 1 0 376.544 1.833 20 0 GDADRO CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000114160311 530892612 /nfs/dbraw/zinc/89/26/12/530892612.db2.gz BSIRRABIYKTNNO-CQSZACIVSA-N 1 0 382.302 1.818 20 0 GDADRO CCN(CC)S(=O)(=O)CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000114177648 530893360 /nfs/dbraw/zinc/89/33/60/530893360.db2.gz UGRFQSKOQIAVES-UHFFFAOYSA-N 1 0 387.571 1.748 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)C1 ZINC000189561447 530915765 /nfs/dbraw/zinc/91/57/65/530915765.db2.gz OKDQATJUHUXSPL-WDEREUQCSA-N 1 0 385.262 1.979 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(I)c1 ZINC000118104177 530915742 /nfs/dbraw/zinc/91/57/42/530915742.db2.gz ZSTTYNMNEVVMCL-LBPRGKRZSA-N 1 0 387.221 1.440 20 0 GDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000118124340 530916870 /nfs/dbraw/zinc/91/68/70/530916870.db2.gz UKTVXMNZABRTLW-AWEZNQCLSA-N 1 0 384.274 1.615 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000118124370 530916919 /nfs/dbraw/zinc/91/69/19/530916919.db2.gz CCMCGFHLPPBPQM-CQSZACIVSA-N 1 0 398.301 1.923 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(OC)ccc1Br)C1CC1 ZINC000118120324 530916984 /nfs/dbraw/zinc/91/69/84/530916984.db2.gz QJDDHYGNIHAIDW-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccsc2Cl)CC1 ZINC000189633262 530917801 /nfs/dbraw/zinc/91/78/01/530917801.db2.gz WSFGELPHEXYZNV-CYBMUJFWSA-N 1 0 384.933 1.969 20 0 GDADRO Cc1cnc([C@@H](C)CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)s1 ZINC000189819218 530920993 /nfs/dbraw/zinc/92/09/93/530920993.db2.gz NOZZLQDPSZLGHU-NSHDSACASA-N 1 0 385.559 1.908 20 0 GDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cccnc1Br ZINC000119992049 530934498 /nfs/dbraw/zinc/93/44/98/530934498.db2.gz XCJDTKUXSUUOKK-CYBMUJFWSA-N 1 0 398.305 1.908 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000190112338 530925331 /nfs/dbraw/zinc/92/53/31/530925331.db2.gz CGKZHGVUJVBCHO-LBPRGKRZSA-N 1 0 384.274 1.652 20 0 GDADRO Cc1c(Cl)cccc1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000119509433 530926849 /nfs/dbraw/zinc/92/68/49/530926849.db2.gz QTUOJCUZQTZKQU-UHFFFAOYSA-N 1 0 389.949 1.317 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC000190285043 530927805 /nfs/dbraw/zinc/92/78/05/530927805.db2.gz BDAKYLOPBQZGMG-UHFFFAOYSA-N 1 0 377.304 1.829 20 0 GDADRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000191989769 530958214 /nfs/dbraw/zinc/95/82/14/530958214.db2.gz FAGYIMHMEAODEU-QWRGUYRKSA-N 1 0 394.324 1.810 20 0 GDADRO C[C@@H](CNC(=O)N1CCS(=O)(=O)CC[C@@H]1C)N1CCc2sccc2C1 ZINC000191972784 530958268 /nfs/dbraw/zinc/95/82/68/530958268.db2.gz VXWLIFHHRWQIKL-KBPBESRZSA-N 1 0 385.555 1.713 20 0 GDADRO COCCCS(=O)(=O)NCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192110136 530961960 /nfs/dbraw/zinc/96/19/60/530961960.db2.gz LMZVIEYNQXWADQ-HZPDHXFCSA-N 1 0 394.896 1.855 20 0 GDADRO Cn1nc(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000192155922 530963483 /nfs/dbraw/zinc/96/34/83/530963483.db2.gz BLIDJALHFPNQGJ-GXTWGEPZSA-N 1 0 385.306 1.680 20 0 GDADRO O=C(Cc1cc2c(cc1Br)OCCO2)NCC[N@@H+]1CCCOCC1 ZINC000190999071 530941984 /nfs/dbraw/zinc/94/19/84/530941984.db2.gz PAGGTJZTVOHJGM-UHFFFAOYSA-N 1 0 399.285 1.601 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c1Br ZINC000121035602 530949197 /nfs/dbraw/zinc/94/91/97/530949197.db2.gz XTPQKONERNASAH-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)C1 ZINC000121357070 530954935 /nfs/dbraw/zinc/95/49/35/530954935.db2.gz AMJUBZWREDDPJG-CABCVRRESA-N 1 0 385.555 1.668 20 0 GDADRO C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000121363059 530955121 /nfs/dbraw/zinc/95/51/21/530955121.db2.gz GNIKYXZGBIAIMG-GJZGRUSLSA-N 1 0 382.551 1.883 20 0 GDADRO Cc1oc(C(=O)NC[C@H](C)N2CCc3sccc3C2)cc1S(N)(=O)=O ZINC000121391787 530955814 /nfs/dbraw/zinc/95/58/14/530955814.db2.gz DSEHLYFVHQMMIU-JTQLQIEISA-N 1 0 383.495 1.474 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000192841706 530974480 /nfs/dbraw/zinc/97/44/80/530974480.db2.gz HIOWRBARZKZRKW-ZDUSSCGKSA-N 1 0 399.289 1.256 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(I)cc3)C[C@@H]2C1 ZINC000192922323 530976197 /nfs/dbraw/zinc/97/61/97/530976197.db2.gz WXWWYRVDKHTFFL-PHIMTYICSA-N 1 0 392.262 1.473 20 0 GDADRO CCCS(=O)(=O)NC1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000192931340 530976207 /nfs/dbraw/zinc/97/62/07/530976207.db2.gz PQPKJRXNPCJBBC-HNNXBMFYSA-N 1 0 390.933 1.874 20 0 GDADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1ccc(Br)cn1 ZINC000192930858 530976357 /nfs/dbraw/zinc/97/63/57/530976357.db2.gz OOQYPLMELHVLHK-UHFFFAOYSA-N 1 0 385.262 1.011 20 0 GDADRO CC(C)[C@@H](CNS(=O)(=O)Cc1c(F)cccc1F)N1CC[NH+](C)CC1 ZINC000122883813 530977476 /nfs/dbraw/zinc/97/74/76/530977476.db2.gz UKCWPRNAWFYKJH-QGZVFWFLSA-N 1 0 375.485 1.656 20 0 GDADRO CC[NH2+]Cc1cccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)c1 ZINC000123227247 530980964 /nfs/dbraw/zinc/98/09/64/530980964.db2.gz OEDWQXQLCZGNAQ-UHFFFAOYSA-N 1 0 381.230 1.047 20 0 GDADRO O=S(=O)(NCC1=CC[NH2+]CC1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000193388304 530985594 /nfs/dbraw/zinc/98/55/94/530985594.db2.gz 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CCN(CCCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)S(C)(=O)=O ZINC000249785939 531089512 /nfs/dbraw/zinc/08/95/12/531089512.db2.gz RPVYETUYWWUSSW-BZUAXINKSA-N 1 0 376.567 1.324 20 0 GDADRO Cc1cc(Br)ccc1S(=O)(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000133319957 531089820 /nfs/dbraw/zinc/08/98/20/531089820.db2.gz LUDNKPWKTAUCFD-CYBMUJFWSA-N 1 0 390.347 1.672 20 0 GDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)[C@H](C)C1 ZINC000251560799 531090343 /nfs/dbraw/zinc/09/03/43/531090343.db2.gz GNZWHFRTBDVWIX-OLZOCXBDSA-N 1 0 398.301 1.092 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(I)cc2)C[C@H]1C[NH3+] ZINC000253193097 531092109 /nfs/dbraw/zinc/09/21/09/531092109.db2.gz OCDGHIQNVVQKEZ-GHMZBOCLSA-N 1 0 394.278 1.897 20 0 GDADRO Brc1cccc(-c2noc(CN3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000261602636 531093191 /nfs/dbraw/zinc/09/31/91/531093191.db2.gz BUBLSEFSWRTMIR-HNNXBMFYSA-N 1 0 392.301 1.979 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1OC ZINC000261595615 531093357 /nfs/dbraw/zinc/09/33/57/531093357.db2.gz HGPHEZCEJMXXGP-PSASIEDQSA-N 1 0 379.276 1.434 20 0 GDADRO COC[C@@]1(CNS(=O)(=O)c2ccc(C)cc2Br)CCC[NH2+]1 ZINC000261615033 531093394 /nfs/dbraw/zinc/09/33/94/531093394.db2.gz FNOZXIYRSDGSTM-AWEZNQCLSA-N 1 0 377.304 1.804 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000261613346 531093667 /nfs/dbraw/zinc/09/36/67/531093667.db2.gz AYPCOAUDLBERLS-WDEREUQCSA-N 1 0 379.404 1.179 20 0 GDADRO Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261615509 531093856 /nfs/dbraw/zinc/09/38/56/531093856.db2.gz BQNDFRYTXAAWKJ-ZDUSSCGKSA-N 1 0 385.839 1.763 20 0 GDADRO COc1ccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000261621305 531094175 /nfs/dbraw/zinc/09/41/75/531094175.db2.gz DJGOBFLXLNPLPT-CQSZACIVSA-N 1 0 381.420 1.118 20 0 GDADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Br)cc1 ZINC000261693160 531096804 /nfs/dbraw/zinc/09/68/04/531096804.db2.gz FJADPADURPXQEQ-AWEZNQCLSA-N 1 0 378.274 1.768 20 0 GDADRO O=C(CNC(=O)c1cccc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261736932 531097199 /nfs/dbraw/zinc/09/71/99/531097199.db2.gz IBRMVEFJXSZFAI-OKILXGFUSA-N 1 0 380.286 1.637 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(c(Cl)c1)OCO2 ZINC000261733799 531097324 /nfs/dbraw/zinc/09/73/24/531097324.db2.gz CZALKSMCHATCSK-GFCCVEGCSA-N 1 0 379.766 1.635 20 0 GDADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c(F)cc1F ZINC000261751687 531098072 /nfs/dbraw/zinc/09/80/72/531098072.db2.gz LGBRTZDPAKRRLC-OTYXRUKQSA-N 1 0 377.413 1.561 20 0 GDADRO CC(C)(CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)N1CCOCC1 ZINC000261761027 531098129 /nfs/dbraw/zinc/09/81/29/531098129.db2.gz NLOGADSNKJSINL-KRWDZBQOSA-N 1 0 384.318 1.850 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261788803 531099074 /nfs/dbraw/zinc/09/90/74/531099074.db2.gz SURYJAKHZPDRBP-LBPRGKRZSA-N 1 0 383.290 1.175 20 0 GDADRO CC(C)NS(=O)(=O)CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261815055 531100182 /nfs/dbraw/zinc/10/01/82/531100182.db2.gz SCPLWLTUPWUJEP-AWEZNQCLSA-N 1 0 392.319 1.067 20 0 GDADRO CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CCN1C[C@@H](C)O ZINC000261856984 531100671 /nfs/dbraw/zinc/10/06/71/531100671.db2.gz WLDHDVQTDPZCOR-MZMPZRCHSA-N 1 0 398.345 1.927 20 0 GDADRO COCC1(CNC(=O)c2cc(I)c[nH]2)CC[NH2+]CC1 ZINC000261838529 531100776 /nfs/dbraw/zinc/10/07/76/531100776.db2.gz ZTZBCSFGMCSNOD-UHFFFAOYSA-N 1 0 377.226 1.365 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000134598577 531101601 /nfs/dbraw/zinc/10/16/01/531101601.db2.gz QXRFZFAVDQSACV-HNNXBMFYSA-N 1 0 382.302 1.679 20 0 GDADRO [NH3+][C@H](C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C1CCOCC1 ZINC000261887395 531101715 /nfs/dbraw/zinc/10/17/15/531101715.db2.gz VDLOXBROLDZZJA-CJNGLKHVSA-N 1 0 382.302 1.898 20 0 GDADRO O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1ccc(Br)cc1 ZINC000261915663 531102037 /nfs/dbraw/zinc/10/20/37/531102037.db2.gz JOHZORLLXUCSHW-BRWVUGGUSA-N 1 0 396.329 1.926 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1COc2ccc(Br)cc21)N1CC[NH+](C)CC1 ZINC000134657465 531102154 /nfs/dbraw/zinc/10/21/54/531102154.db2.gz KXBWDRVRYDSYIE-IUODEOHRSA-N 1 0 382.302 1.677 20 0 GDADRO C[C@H]([NH3+])CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000261913854 531102425 /nfs/dbraw/zinc/10/24/25/531102425.db2.gz WSDDNNDESOGKBI-NSHDSACASA-N 1 0 379.404 1.276 20 0 GDADRO CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261922692 531102590 /nfs/dbraw/zinc/10/25/90/531102590.db2.gz YWYZIVBANPOSSB-KRWDZBQOSA-N 1 0 387.571 1.812 20 0 GDADRO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261918487 531102642 /nfs/dbraw/zinc/10/26/42/531102642.db2.gz KDZQOFFWWHCZRC-ZDUSSCGKSA-N 1 0 375.897 1.785 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1Br ZINC000261926093 531102716 /nfs/dbraw/zinc/10/27/16/531102716.db2.gz ZEASCCOKBXDITR-AWEZNQCLSA-N 1 0 393.303 1.826 20 0 GDADRO Cc1nn(C)c2sc(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)cc12 ZINC000261957245 531103780 /nfs/dbraw/zinc/10/37/80/531103780.db2.gz ZUVOLPZRUSKKEF-LBPRGKRZSA-N 1 0 375.420 1.509 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000247087341 531071775 /nfs/dbraw/zinc/07/17/75/531071775.db2.gz NUFJHOXIRYBJJZ-GDBMZVCRSA-N 1 0 379.551 1.844 20 0 GDADRO CC[N@H+](CCOc1ccc(Br)cc1)C[C@H](O)CN1CCOCC1 ZINC000131592988 531073218 /nfs/dbraw/zinc/07/32/18/531073218.db2.gz AWZATBWUGNSFOU-INIZCTEOSA-N 1 0 387.318 1.843 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000131547268 531073273 /nfs/dbraw/zinc/07/32/73/531073273.db2.gz GBLKUDLQFQWIIH-UHFFFAOYSA-N 1 0 389.880 1.408 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000262018407 531105482 /nfs/dbraw/zinc/10/54/82/531105482.db2.gz IJTPZBDTHFXJJC-LRDDRELGSA-N 1 0 390.527 1.285 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1 ZINC000262028778 531105832 /nfs/dbraw/zinc/10/58/32/531105832.db2.gz JNIABPZQVSWCEO-UHFFFAOYSA-N 1 0 386.524 1.832 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1C ZINC000262040517 531106561 /nfs/dbraw/zinc/10/65/61/531106561.db2.gz LFXZJBWKUQLFFE-HNNXBMFYSA-N 1 0 389.543 1.089 20 0 GDADRO C[NH2+]C1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)CC1 ZINC000262087037 531107631 /nfs/dbraw/zinc/10/76/31/531107631.db2.gz REINERRHFHJUIK-UHFFFAOYSA-N 1 0 380.388 1.865 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1F ZINC000262091157 531107702 /nfs/dbraw/zinc/10/77/02/531107702.db2.gz AGOKJJIEYYFRGC-CQSZACIVSA-N 1 0 395.522 1.581 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1C(F)(F)F ZINC000262101570 531108062 /nfs/dbraw/zinc/10/80/62/531108062.db2.gz SULWYOKMLZPWPY-UHFFFAOYSA-N 1 0 380.388 1.865 20 0 GDADRO O=C(NC[C@@H]1CCCN(S(=O)(=O)c2cncc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262119755 531108873 /nfs/dbraw/zinc/10/88/73/531108873.db2.gz JJQKDCSHXWSHRC-WFASDCNBSA-N 1 0 386.905 1.004 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000262133289 531109336 /nfs/dbraw/zinc/10/93/36/531109336.db2.gz ODMZXYABIAENDB-ZDUSSCGKSA-N 1 0 379.511 1.868 20 0 GDADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1 ZINC000262179092 531111394 /nfs/dbraw/zinc/11/13/94/531111394.db2.gz ZCEMYPCDFJJKHL-GFCCVEGCSA-N 1 0 395.522 1.773 20 0 GDADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)s2)cs1 ZINC000262202312 531111823 /nfs/dbraw/zinc/11/18/23/531111823.db2.gz DDRALOOTRUSFJS-ZDUSSCGKSA-N 1 0 398.579 1.848 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000262215148 531112584 /nfs/dbraw/zinc/11/25/84/531112584.db2.gz MAFMXQQUQMTVIB-QWHCGFSZSA-N 1 0 399.925 1.633 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC000136029642 531112758 /nfs/dbraw/zinc/11/27/58/531112758.db2.gz MXQPFUKHPXPEQA-SNVBAGLBSA-N 1 0 377.869 1.588 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000262258152 531114293 /nfs/dbraw/zinc/11/42/93/531114293.db2.gz UDHROQRZCRZIMP-UHFFFAOYSA-N 1 0 375.288 1.232 20 0 GDADRO CN(C)S(=O)(=O)CCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000136408212 531114677 /nfs/dbraw/zinc/11/46/77/531114677.db2.gz AQTGAXIXUZFXHB-INIZCTEOSA-N 1 0 387.933 1.875 20 0 GDADRO O=C([C@H]1COc2ccc(Br)cc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262275436 531114736 /nfs/dbraw/zinc/11/47/36/531114736.db2.gz LADKXPZDFGQWRD-ZFWWWQNUSA-N 1 0 380.286 1.431 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000262304835 531115405 /nfs/dbraw/zinc/11/54/05/531115405.db2.gz YBRYPEGQSIOGMZ-HUUCEWRRSA-N 1 0 385.555 1.634 20 0 GDADRO C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cc(Cl)c2O1 ZINC000262336549 531117294 /nfs/dbraw/zinc/11/72/94/531117294.db2.gz SGEGGTYYENILTR-GXTWGEPZSA-N 1 0 385.917 1.332 20 0 GDADRO CS(=O)(=O)C1(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000262355841 531117889 /nfs/dbraw/zinc/11/78/89/531117889.db2.gz GUJLGZIGMBHFIV-LLVKDONJSA-N 1 0 393.292 1.710 20 0 GDADRO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000262403151 531119597 /nfs/dbraw/zinc/11/95/97/531119597.db2.gz ZYNYOQPOVWIDNR-HNNXBMFYSA-N 1 0 390.527 1.155 20 0 GDADRO COCC1(C(=O)NCCNC(=O)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000262446865 531120522 /nfs/dbraw/zinc/12/05/22/531120522.db2.gz YTRPKFGLAHKORC-UHFFFAOYSA-N 1 0 398.301 1.311 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000262448391 531120641 /nfs/dbraw/zinc/12/06/41/531120641.db2.gz JGTBRFGDEWDIGY-CYBMUJFWSA-N 1 0 381.523 1.954 20 0 GDADRO CCc1csc([C@@H]2CCCN(C(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)C2)n1 ZINC000262479163 531121399 /nfs/dbraw/zinc/12/13/99/531121399.db2.gz ZFSPWJLBJYEAEO-CYBMUJFWSA-N 1 0 385.555 1.578 20 0 GDADRO Cc1c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc(Br)cc1S(N)(=O)=O ZINC000262574006 531124496 /nfs/dbraw/zinc/12/44/96/531124496.db2.gz IONGSJMPOQYCMD-JOYOIKCWSA-N 1 0 390.303 1.262 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000262571462 531124630 /nfs/dbraw/zinc/12/46/30/531124630.db2.gz BDRFVYYSZUIPAI-CVEARBPZSA-N 1 0 385.555 1.249 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])C2)s1 ZINC000262587252 531125134 /nfs/dbraw/zinc/12/51/34/531125134.db2.gz PMSMSRSVGATRFH-CQSZACIVSA-N 1 0 387.571 1.901 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@](C)(C[NH3+])C(C)C)C2)s1 ZINC000262608960 531125817 /nfs/dbraw/zinc/12/58/17/531125817.db2.gz CZHRUPBXQRYCCD-WMLDXEAASA-N 1 0 387.571 1.947 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)cc1 ZINC000262745770 531128119 /nfs/dbraw/zinc/12/81/19/531128119.db2.gz LMWSBXQWUAABBF-AWEZNQCLSA-N 1 0 375.516 1.211 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000262745089 531128264 /nfs/dbraw/zinc/12/82/64/531128264.db2.gz DLLCKQPZMFDCHG-GXFFZTMASA-N 1 0 379.404 1.255 20 0 GDADRO [NH3+]CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCCC1 ZINC000150716427 531129510 /nfs/dbraw/zinc/12/95/10/531129510.db2.gz FFHQMKLAIHTQJS-UHFFFAOYSA-N 1 0 391.946 1.754 20 0 GDADRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cccc(I)c1 ZINC000262776656 531129956 /nfs/dbraw/zinc/12/99/56/531129956.db2.gz XTIKIIAXLFXZLP-LLVKDONJSA-N 1 0 382.267 1.943 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262772621 531130042 /nfs/dbraw/zinc/13/00/42/531130042.db2.gz MSEWOYCDJZHZJI-IUCAKERBSA-N 1 0 381.267 1.968 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262772618 531130296 /nfs/dbraw/zinc/13/02/96/531130296.db2.gz MSEWOYCDJZHZJI-BDAKNGLRSA-N 1 0 381.267 1.968 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000262802889 531131343 /nfs/dbraw/zinc/13/13/43/531131343.db2.gz VWYZQGXLWFNCFB-GXSJLCMTSA-N 1 0 393.303 1.743 20 0 GDADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000262819999 531132146 /nfs/dbraw/zinc/13/21/46/531132146.db2.gz SGMDSVLTUMNQRU-ZDUSSCGKSA-N 1 0 382.511 1.191 20 0 GDADRO C[C@@H]1[NH2+]CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)[C@H]1C ZINC000262878520 531133885 /nfs/dbraw/zinc/13/38/85/531133885.db2.gz VQWHWWOOOWTMHJ-RYUDHWBXSA-N 1 0 389.315 1.573 20 0 GDADRO CO[C@H](C[NH3+])CC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000262986985 531136066 /nfs/dbraw/zinc/13/60/66/531136066.db2.gz ZHGLXSSNOGJLSA-QWRGUYRKSA-N 1 0 380.798 1.813 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)s1 ZINC000151781719 531142713 /nfs/dbraw/zinc/14/27/13/531142713.db2.gz JTZSUAJUGZBNHC-UHFFFAOYSA-N 1 0 387.571 1.825 20 0 GDADRO COC(=O)[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000151910288 531143942 /nfs/dbraw/zinc/14/39/42/531143942.db2.gz ZYPUFPSRIATMGF-GFCCVEGCSA-N 1 0 378.441 1.467 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)ccc1Br ZINC000152396737 531150506 /nfs/dbraw/zinc/15/05/06/531150506.db2.gz AMBWMSFOUIANKJ-UHFFFAOYSA-N 1 0 386.290 1.733 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)CCOc1ccc(Br)cc1F ZINC000152581242 531154632 /nfs/dbraw/zinc/15/46/32/531154632.db2.gz GDZOVPWTBWOXEI-OAHLLOKOSA-N 1 0 377.254 1.786 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000152767884 531156593 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O=C(NCC1(c2cccc(Br)c2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000486823501 531461261 /nfs/dbraw/zinc/46/12/61/531461261.db2.gz WXFRSAZSTZSSLP-MRXNPFEDSA-N 1 0 378.314 1.987 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000414673429 531461651 /nfs/dbraw/zinc/46/16/51/531461651.db2.gz CGNJBNGIFVDIGO-LLVKDONJSA-N 1 0 390.893 1.220 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc(I)cc1 ZINC000414680343 531461693 /nfs/dbraw/zinc/46/16/93/531461693.db2.gz MWUXNWAQTRMBBS-UHFFFAOYSA-N 1 0 388.253 1.708 20 0 GDADRO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)cn1 ZINC000279932878 531461807 /nfs/dbraw/zinc/46/18/07/531461807.db2.gz NHALJTXEGXPKIW-FZMZJTMJSA-N 1 0 398.305 1.544 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279979748 531464343 /nfs/dbraw/zinc/46/43/43/531464343.db2.gz DNPVNXHMLKNASC-RKDXNWHRSA-N 1 0 380.297 1.912 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000486876921 531464603 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GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCC(=O)NC1 ZINC000449135773 531466900 /nfs/dbraw/zinc/46/69/00/531466900.db2.gz RKARJTXLDFXEML-GWCFXTLKSA-N 1 0 384.274 1.331 20 0 GDADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Br)n1 ZINC000294211063 531467672 /nfs/dbraw/zinc/46/76/72/531467672.db2.gz OGQSTISDVPXYCY-OAHLLOKOSA-N 1 0 390.281 1.993 20 0 GDADRO C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CCn2cc(Br)cn2)c1 ZINC000415229445 531467864 /nfs/dbraw/zinc/46/78/64/531467864.db2.gz OIXJYMSMMGRXNS-UHFFFAOYSA-N 1 0 394.273 1.462 20 0 GDADRO OCC[N@@H+]1CCCC[C@H]1CNCc1cn(-c2ccccc2Br)nn1 ZINC000449398419 531469749 /nfs/dbraw/zinc/46/97/49/531469749.db2.gz UTLMDYWFTFDGAJ-HNNXBMFYSA-N 1 0 394.317 1.966 20 0 GDADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000449374596 531469836 /nfs/dbraw/zinc/46/98/36/531469836.db2.gz FTHHZBAOXHENNY-STQMWFEESA-N 1 0 377.304 1.556 20 0 GDADRO O=S1(=O)CC[C@](O)(C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449409403 531469934 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CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1F ZINC000539845770 531472069 /nfs/dbraw/zinc/47/20/69/531472069.db2.gz GXZIIKMZSBTDDT-LBPRGKRZSA-N 1 0 393.506 1.207 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415294355 531472493 /nfs/dbraw/zinc/47/24/93/531472493.db2.gz OCHHHEZLMYELRE-GFCCVEGCSA-N 1 0 392.257 1.192 20 0 GDADRO [NH3+]CCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415294652 531472826 /nfs/dbraw/zinc/47/28/26/531472826.db2.gz QRZJDSXLBZUVDC-UHFFFAOYSA-N 1 0 384.152 1.751 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415293490 531472935 /nfs/dbraw/zinc/47/29/35/531472935.db2.gz DLDJZBUBUNNOHF-NSHDSACASA-N 1 0 392.257 1.394 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2OC)C1 ZINC000415361915 531479182 /nfs/dbraw/zinc/47/91/82/531479182.db2.gz OGZMSNUMPHLRIH-GFCCVEGCSA-N 1 0 384.274 1.915 20 0 GDADRO CC[NH+]1CCN(CC(=O)N[C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)CC1 ZINC000543302451 531479908 /nfs/dbraw/zinc/47/99/08/531479908.db2.gz CPXCVOXKRILGTE-MRXNPFEDSA-N 1 0 388.295 1.961 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415368313 531480106 /nfs/dbraw/zinc/48/01/06/531480106.db2.gz ADIVFNNBKMAUCQ-VIFPVBQESA-N 1 0 376.201 1.876 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000415378723 531480565 /nfs/dbraw/zinc/48/05/65/531480565.db2.gz NOEYNLDPHMAYLG-LLVKDONJSA-N 1 0 398.257 1.433 20 0 GDADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)OC)C1 ZINC000415379937 531480708 /nfs/dbraw/zinc/48/07/08/531480708.db2.gz RQFMUBWOUJRAJP-SECBINFHSA-N 1 0 388.251 1.929 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000294517711 531482964 /nfs/dbraw/zinc/48/29/64/531482964.db2.gz GNRTYONJNWCLPR-CYBMUJFWSA-N 1 0 394.273 1.480 20 0 GDADRO CC1(C)NC(=O)N(CC[N@H+](CCO)Cc2cccc(Br)c2)C1=O ZINC000488199648 531483010 /nfs/dbraw/zinc/48/30/10/531483010.db2.gz KIUFENSLDSNLLF-UHFFFAOYSA-N 1 0 384.274 1.574 20 0 GDADRO CCCN(C(=O)C(=O)Nc1ccc(OC)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000415402994 531483244 /nfs/dbraw/zinc/48/32/44/531483244.db2.gz KWTFRODXLMJONX-GFCCVEGCSA-N 1 0 384.274 1.997 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000363368971 531483231 /nfs/dbraw/zinc/48/32/31/531483231.db2.gz CWWXBOGIMJANKE-AWEZNQCLSA-N 1 0 389.953 1.173 20 0 GDADRO COc1cc(NC(=O)NC[C@H]2C[NH2+]CCN2C)cc(OC)c1Br ZINC000415405905 531483410 /nfs/dbraw/zinc/48/34/10/531483410.db2.gz CXIMQVZMSIZJSJ-LLVKDONJSA-N 1 0 387.278 1.491 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415551366 531493369 /nfs/dbraw/zinc/49/33/69/531493369.db2.gz LEIPDGHAMOIRKB-SNVBAGLBSA-N 1 0 380.246 1.427 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc(F)c1I ZINC000415416686 531484017 /nfs/dbraw/zinc/48/40/17/531484017.db2.gz UGGVNLVQJDAYKT-MRVPVSSYSA-N 1 0 393.200 1.341 20 0 GDADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415416432 531484265 /nfs/dbraw/zinc/48/42/65/531484265.db2.gz NHISVKCHQCPBJW-NSHDSACASA-N 1 0 384.274 1.995 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415429222 531484930 /nfs/dbraw/zinc/48/49/30/531484930.db2.gz AYJHUMRAIQGQCN-NSHDSACASA-N 1 0 376.240 1.818 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415425705 531485095 /nfs/dbraw/zinc/48/50/95/531485095.db2.gz KRVQLTDLGCTNGB-LBPRGKRZSA-N 1 0 389.237 1.719 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000415445709 531486976 /nfs/dbraw/zinc/48/69/76/531486976.db2.gz OXYAFHQWBXMNJL-CPCISQLKSA-N 1 0 376.201 1.862 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1)C1CC1 ZINC000415443957 531486996 /nfs/dbraw/zinc/48/69/96/531486996.db2.gz CTLXYECPLYRQJM-CQSZACIVSA-N 1 0 395.301 1.841 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(F)c1I ZINC000415453641 531488079 /nfs/dbraw/zinc/48/80/79/531488079.db2.gz ZFADKGIYOCXVHM-SECBINFHSA-N 1 0 393.200 1.468 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415468744 531488977 /nfs/dbraw/zinc/48/89/77/531488977.db2.gz WVANFWJNHOZURM-JTQLQIEISA-N 1 0 393.200 1.468 20 0 GDADRO COc1cc(I)ccc1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415465679 531489116 /nfs/dbraw/zinc/48/91/16/531489116.db2.gz PSRDLJBAVWGGLV-UHFFFAOYSA-N 1 0 391.209 1.092 20 0 GDADRO CN(CCC[NH+]1CCCC1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000545279918 531490319 /nfs/dbraw/zinc/49/03/19/531490319.db2.gz QRKPUNXCUBTMLA-UHFFFAOYSA-N 1 0 393.962 1.966 20 0 GDADRO Cn1cc(Br)c(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)n1 ZINC000294680112 531490454 /nfs/dbraw/zinc/49/04/54/531490454.db2.gz UWLNYNZYTPWHJE-UHFFFAOYSA-N 1 0 382.262 1.448 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000415496623 531491147 /nfs/dbraw/zinc/49/11/47/531491147.db2.gz OLGTYRAMYNKWLX-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO CNS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000363536896 531491281 /nfs/dbraw/zinc/49/12/81/531491281.db2.gz SMAKCANVJOFYQL-LBPRGKRZSA-N 1 0 377.869 1.821 20 0 GDADRO COc1cc(OC)c(NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1Br ZINC000415526434 531491720 /nfs/dbraw/zinc/49/17/20/531491720.db2.gz HIYWIIVFHYDCBY-SNVBAGLBSA-N 1 0 387.278 1.491 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415539380 531492269 /nfs/dbraw/zinc/49/22/69/531492269.db2.gz JPKDEXUAMRZUQL-GHMZBOCLSA-N 1 0 384.274 1.900 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cccc(F)c1I ZINC000415352235 531478337 /nfs/dbraw/zinc/47/83/37/531478337.db2.gz AWFMVSQQOMLHCQ-SECBINFHSA-N 1 0 393.200 1.930 20 0 GDADRO C[C@H](C[S@](C)=O)N(C)c1cc(C2CC2)[nH+]c(N(C)[C@@H](C)C[S@](C)=O)n1 ZINC000557628534 531512422 /nfs/dbraw/zinc/51/24/22/531512422.db2.gz CYTSWNVKJSOWSX-SWZSYXMZSA-N 1 0 386.587 1.760 20 0 GDADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489886727 531512364 /nfs/dbraw/zinc/51/23/64/531512364.db2.gz UCEDYEXOFHVWEK-CJNGLKHVSA-N 1 0 381.318 1.756 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CCc2c(Cl)cccc2Cl)[C@H](N2CCOCC2)C1 ZINC000294978209 531512329 /nfs/dbraw/zinc/51/23/29/531512329.db2.gz PAYSVCPZIBXRQJ-JKSUJKDBSA-N 1 0 393.336 1.623 20 0 GDADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489904959 531513662 /nfs/dbraw/zinc/51/36/62/531513662.db2.gz DMWIRGYYDGRPEU-KRWDZBQOSA-N 1 0 385.339 1.931 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415685137 531513842 /nfs/dbraw/zinc/51/38/42/531513842.db2.gz UGWUMTWVTGTBOL-CABZTGNLSA-N 1 0 387.221 1.486 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)c1Br ZINC000415682474 531514030 /nfs/dbraw/zinc/51/40/30/531514030.db2.gz BFTIUVSJDPTQHY-MRXNPFEDSA-N 1 0 398.257 1.372 20 0 GDADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489910799 531514905 /nfs/dbraw/zinc/51/49/05/531514905.db2.gz YHIBMPZDIRMSOT-DOMZBBRYSA-N 1 0 385.281 1.094 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)Nc1ccsc1Cl ZINC000415698315 531515464 /nfs/dbraw/zinc/51/54/64/531515464.db2.gz WXIUFFDIFROFJT-VIFPVBQESA-N 1 0 384.811 1.292 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2)CCC[NH2+]1 ZINC000415703041 531515810 /nfs/dbraw/zinc/51/58/10/531515810.db2.gz FAVRPAWNEZHIAL-OAHLLOKOSA-N 1 0 388.237 1.412 20 0 GDADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415706397 531516457 /nfs/dbraw/zinc/51/64/57/531516457.db2.gz IRDATUXRUWKJMM-GFCCVEGCSA-N 1 0 399.264 1.033 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2ccc(C)cc2Br)CCC[NH2+]1 ZINC000415715310 531518120 /nfs/dbraw/zinc/51/81/20/531518120.db2.gz YPGHGQSGDHKVOS-INIZCTEOSA-N 1 0 384.274 1.581 20 0 GDADRO C[C@H]([NH3+])c1ccc(NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 ZINC000415717376 531518260 /nfs/dbraw/zinc/51/82/60/531518260.db2.gz DMVZWGNDPXQHRT-CABZTGNLSA-N 1 0 382.408 1.650 20 0 GDADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)C1 ZINC000268313621 531494270 /nfs/dbraw/zinc/49/42/70/531494270.db2.gz ACACXIIIAMGGMX-CQSZACIVSA-N 1 0 387.571 1.548 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H](C)CC[NH3+])cc(Br)c1F ZINC000415557161 531494885 /nfs/dbraw/zinc/49/48/85/531494885.db2.gz CZGWNITULMDBSB-SSDOTTSWSA-N 1 0 390.209 1.167 20 0 GDADRO CC[NH+]1CCN([C@H]2CCN(c3ncccc3I)C2)CC1 ZINC000610130487 531497185 /nfs/dbraw/zinc/49/71/85/531497185.db2.gz LLCZADBWGUPOLW-ZDUSSCGKSA-N 1 0 386.281 1.902 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cc(N(C)C)ccc1Br)C[NH+](C)C ZINC000490065157 531518818 /nfs/dbraw/zinc/51/88/18/531518818.db2.gz RKHHZLPNTKBWKA-LLVKDONJSA-N 1 0 378.336 1.991 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415573979 531497038 /nfs/dbraw/zinc/49/70/38/531497038.db2.gz VZRIIYJDAANXDR-UWVGGRQHSA-N 1 0 398.257 1.383 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2I)[C@@H](C)C[NH2+]1 ZINC000415576151 531497489 /nfs/dbraw/zinc/49/74/89/531497489.db2.gz XXHJEBSUPYVRTO-ZJUUUORDSA-N 1 0 387.221 1.439 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000489351493 531498194 /nfs/dbraw/zinc/49/81/94/531498194.db2.gz OINVIYAWOZVIKF-BBRMVZONSA-N 1 0 387.933 1.805 20 0 GDADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)s1 ZINC000280458067 531498289 /nfs/dbraw/zinc/49/82/89/531498289.db2.gz SDEOGURYXMQARB-CHWSQXEVSA-N 1 0 389.543 1.138 20 0 GDADRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000547884219 531498576 /nfs/dbraw/zinc/49/85/76/531498576.db2.gz KJVWBVGRBSHDNE-ZIAGYGMSSA-N 1 0 382.258 1.741 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415580390 531498712 /nfs/dbraw/zinc/49/87/12/531498712.db2.gz RCKUKCBJVAKVOL-SNVBAGLBSA-N 1 0 380.246 1.427 20 0 GDADRO COCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1scnc1C ZINC000489409575 531499955 /nfs/dbraw/zinc/49/99/55/531499955.db2.gz SLFGECDCNRYSSY-UHFFFAOYSA-N 1 0 382.408 1.678 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415605441 531500958 /nfs/dbraw/zinc/50/09/58/531500958.db2.gz CLJRVKHGMCBETI-JOYOIKCWSA-N 1 0 381.274 1.774 20 0 GDADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1Br ZINC000415612792 531503471 /nfs/dbraw/zinc/50/34/71/531503471.db2.gz ZNDVZOIHEDMVSA-JTQLQIEISA-N 1 0 390.665 1.536 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1Br ZINC000415612893 531503632 /nfs/dbraw/zinc/50/36/32/531503632.db2.gz LINZPBIEZITDCU-RNCFNFMXSA-N 1 0 398.257 1.288 20 0 GDADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1 ZINC000658208769 531503853 /nfs/dbraw/zinc/50/38/53/531503853.db2.gz UTMXWWJYYFPWNP-CQSZACIVSA-N 1 0 388.555 1.993 20 0 GDADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000294887870 531504666 /nfs/dbraw/zinc/50/46/66/531504666.db2.gz WCMCKEFGPOGWCS-JSGCOSHPSA-N 1 0 378.263 1.715 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(I)c1 ZINC000415624334 531504796 /nfs/dbraw/zinc/50/47/96/531504796.db2.gz KQLNHFYJUVDDGV-LLVKDONJSA-N 1 0 387.221 1.488 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415627159 531504830 /nfs/dbraw/zinc/50/48/30/531504830.db2.gz RRTOSVHEQKRURH-HQJQHLMTSA-N 1 0 376.201 1.780 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000415645358 531506976 /nfs/dbraw/zinc/50/69/76/531506976.db2.gz LNGZVPHAAMAZNO-QWHCGFSZSA-N 1 0 397.317 1.835 20 0 GDADRO [NH3+]CC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C(F)F ZINC000581667463 531507642 /nfs/dbraw/zinc/50/76/42/531507642.db2.gz AMMVOYJETSSSGJ-LBPRGKRZSA-N 1 0 395.497 1.564 20 0 GDADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)[NH+](C)C ZINC000658427031 531508895 /nfs/dbraw/zinc/50/88/95/531508895.db2.gz MZIQFPVLYHDASX-SNVBAGLBSA-N 1 0 375.878 1.138 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415651315 531509105 /nfs/dbraw/zinc/50/91/05/531509105.db2.gz GIMBSONQOZHRQW-RDDDGLTNSA-N 1 0 376.201 1.780 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415658631 531510169 /nfs/dbraw/zinc/51/01/69/531510169.db2.gz NNWIZELBYFNOGU-WRWORJQWSA-N 1 0 376.201 1.780 20 0 GDADRO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)ccc1Br ZINC000581708049 531510377 /nfs/dbraw/zinc/51/03/77/531510377.db2.gz SJKQXFPQGLRRKE-JLLWLGSASA-N 1 0 380.242 1.289 20 0 GDADRO Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000635927463 531521990 /nfs/dbraw/zinc/52/19/90/531521990.db2.gz YXRKGQHLIMFTIH-LLVKDONJSA-N 1 0 392.319 1.102 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000557812896 531524439 /nfs/dbraw/zinc/52/44/39/531524439.db2.gz KOANUBFDUHUONA-UHFFFAOYSA-N 1 0 389.543 1.091 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000415753398 531525699 /nfs/dbraw/zinc/52/56/99/531525699.db2.gz GMDGHRVUZKBYJO-TXEJJXNPSA-N 1 0 396.285 1.854 20 0 GDADRO CSC1(CNC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC[NH+](C)CC1 ZINC000581976517 531525895 /nfs/dbraw/zinc/52/58/95/531525895.db2.gz MNJZJVMURNYBLP-ZDUSSCGKSA-N 1 0 382.496 1.997 20 0 GDADRO O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415762853 531526822 /nfs/dbraw/zinc/52/68/22/531526822.db2.gz PYKVWGRSFUMIEY-JDICNCQASA-N 1 0 375.828 1.970 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N[C@@H](C)CCC[NH3+] ZINC000415769683 531527182 /nfs/dbraw/zinc/52/71/82/531527182.db2.gz AFWQPCFTSVIOHL-JTQLQIEISA-N 1 0 389.237 1.782 20 0 GDADRO C[C@@H]1CN(C(=O)Nc2cnc3c(Br)cccn23)CCN1CCO ZINC000581999541 531527719 /nfs/dbraw/zinc/52/77/19/531527719.db2.gz QIDLPVGDDQMCEH-LLVKDONJSA-N 1 0 382.262 1.627 20 0 GDADRO C[C@@H](NC(=O)C(=O)Nc1cc(I)ccc1Cl)[C@H](C)[NH3+] ZINC000415777710 531528213 /nfs/dbraw/zinc/52/82/13/531528213.db2.gz DKHAEKAJXBBTJD-NKWVEPMBSA-N 1 0 395.628 1.735 20 0 GDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(Br)c1 ZINC000415784207 531530156 /nfs/dbraw/zinc/53/01/56/531530156.db2.gz OPLHSRZSIZYUPW-GXFFZTMASA-N 1 0 382.258 1.607 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415785337 531530185 /nfs/dbraw/zinc/53/01/85/531530185.db2.gz KJOSLSHYAYSJRI-MRVPVSSYSA-N 1 0 379.173 1.222 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000582052814 531531717 /nfs/dbraw/zinc/53/17/17/531531717.db2.gz YPUXEUOKQJAOBN-GFCCVEGCSA-N 1 0 387.311 1.804 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415728318 531520025 /nfs/dbraw/zinc/52/00/25/531520025.db2.gz SABYQPNDRNHBQP-CQSZACIVSA-N 1 0 395.301 1.202 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c(Cl)cc1Br ZINC000659078809 531538343 /nfs/dbraw/zinc/53/83/43/531538343.db2.gz RSENRUOHBFBOHI-MRVPVSSYSA-N 1 0 390.665 1.857 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c(Cl)cc1Br ZINC000659077825 531538433 /nfs/dbraw/zinc/53/84/33/531538433.db2.gz NMZSFMIVAIIYKO-MRVPVSSYSA-N 1 0 390.665 1.870 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c(Cl)cc1Br ZINC000659078812 531538493 /nfs/dbraw/zinc/53/84/93/531538493.db2.gz RSENRUOHBFBOHI-QMMMGPOBSA-N 1 0 390.665 1.857 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415832857 531539224 /nfs/dbraw/zinc/53/92/24/531539224.db2.gz LXOCPIODAJKHPP-SNVBAGLBSA-N 1 0 388.237 1.330 20 0 GDADRO COC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000415839138 531540203 /nfs/dbraw/zinc/54/02/03/531540203.db2.gz OHDRMMABYBNYFM-JTQLQIEISA-N 1 0 381.738 1.461 20 0 GDADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1F)C(F)(F)F ZINC000415837004 531540764 /nfs/dbraw/zinc/54/07/64/531540764.db2.gz NBVQZSOEBMCAHQ-VIFPVBQESA-N 1 0 386.143 1.923 20 0 GDADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C[C@@H](C)C1 ZINC000558022806 531540896 /nfs/dbraw/zinc/54/08/96/531540896.db2.gz CJWHGFWRGUBFHV-RWMBFGLXSA-N 1 0 398.301 1.961 20 0 GDADRO COc1sc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1Br ZINC000551580966 531541563 /nfs/dbraw/zinc/54/15/63/531541563.db2.gz LRLCLGJMYZYFJH-UHFFFAOYSA-N 1 0 384.317 1.549 20 0 GDADRO Cn1nccc1CC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000582225560 531542429 /nfs/dbraw/zinc/54/24/29/531542429.db2.gz YGGTYOKRKDPOTE-UHFFFAOYSA-N 1 0 380.246 1.595 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000552190958 531553370 /nfs/dbraw/zinc/55/33/70/531553370.db2.gz NEIBJNOEIPDSKF-GFCCVEGCSA-N 1 0 382.302 1.790 20 0 GDADRO CC[C@H]1CCc2nc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)sc2C1 ZINC000415844823 531542526 /nfs/dbraw/zinc/54/25/26/531542526.db2.gz UKYMDQAKUSNYTR-GZMMTYOYSA-N 1 0 378.420 1.992 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000551619302 531542795 /nfs/dbraw/zinc/54/27/95/531542795.db2.gz DCOPIDZYMWGQOH-UHFFFAOYSA-N 1 0 379.381 1.046 20 0 GDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)C2)C1 ZINC000558032350 531543103 /nfs/dbraw/zinc/54/31/03/531543103.db2.gz WMEBIZSTIUDPQX-MRXNPFEDSA-N 1 0 391.273 1.593 20 0 GDADRO CN(CC[N@H+](C)CCCOCC(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000295219787 531543393 /nfs/dbraw/zinc/54/33/93/531543393.db2.gz NAOBEHCFHORFSG-UHFFFAOYSA-N 1 0 383.436 1.671 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415861459 531544849 /nfs/dbraw/zinc/54/48/49/531544849.db2.gz VZELLYPAZQINFP-JTQLQIEISA-N 1 0 389.681 1.061 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)c(Cl)cc1Cl ZINC000364211313 531544940 /nfs/dbraw/zinc/54/49/40/531544940.db2.gz ORENOGSWLVBKGE-QMMMGPOBSA-N 1 0 383.253 1.128 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415858006 531544902 /nfs/dbraw/zinc/54/49/02/531544902.db2.gz DJIYJPPPOWVFFB-LBPRGKRZSA-N 1 0 393.241 1.040 20 0 GDADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000364228403 531547432 /nfs/dbraw/zinc/54/74/32/531547432.db2.gz TUPWSPBNXAVCEC-KFWWJZLASA-N 1 0 378.535 1.814 20 0 GDADRO O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415874679 531547739 /nfs/dbraw/zinc/54/77/39/531547739.db2.gz XFEKOXBVLXMWFP-LLVKDONJSA-N 1 0 381.274 1.918 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659468896 531548631 /nfs/dbraw/zinc/54/86/31/531548631.db2.gz HTDKMFJFYYJIRU-JTQLQIEISA-N 1 0 394.273 1.834 20 0 GDADRO C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)[C@H](C[NH3+])C1 ZINC000659471860 531548893 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C[C@H](CC(=O)N(C)C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000582137624 531534919 /nfs/dbraw/zinc/53/49/19/531534919.db2.gz ZUTJAKLTICJVPE-SNVBAGLBSA-N 1 0 389.237 1.686 20 0 GDADRO C[C@@H]1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C[C@@H]1[NH3+] ZINC000658974751 531534976 /nfs/dbraw/zinc/53/49/76/531534976.db2.gz YYWZFUCXWHGQCW-YGRLFVJLSA-N 1 0 386.265 1.904 20 0 GDADRO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415820058 531535314 /nfs/dbraw/zinc/53/53/14/531535314.db2.gz KFEGZEVHFUAMTL-ZJUUUORDSA-N 1 0 376.404 1.949 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000415815552 531535818 /nfs/dbraw/zinc/53/58/18/531535818.db2.gz SJQRZFPPGLMSNA-BXUZGUMPSA-N 1 0 380.286 1.972 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000659015518 531535883 /nfs/dbraw/zinc/53/58/83/531535883.db2.gz AKJAJHLVTXQPQG-LLVKDONJSA-N 1 0 385.310 1.325 20 0 GDADRO COc1cc(I)ccc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415817646 531536084 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GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659717187 531556582 /nfs/dbraw/zinc/55/65/82/531556582.db2.gz FHNLZYMBSLFMNY-HNNXBMFYSA-N 1 0 397.317 1.197 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H]1CCCC[NH2+]C1)C2 ZINC000659713036 531557182 /nfs/dbraw/zinc/55/71/82/531557182.db2.gz AIUXODORKZWIOW-ZDUSSCGKSA-N 1 0 380.286 1.858 20 0 GDADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2c(Br)cnn2C)cc1O ZINC000558422871 531558036 /nfs/dbraw/zinc/55/80/36/531558036.db2.gz XNSXEYMOVARQOQ-GFCCVEGCSA-N 1 0 384.274 1.838 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733405 531559052 /nfs/dbraw/zinc/55/90/52/531559052.db2.gz DRKIZDJRKLGGAC-UHFFFAOYSA-N 1 0 386.265 1.934 20 0 GDADRO C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000582965072 531559487 /nfs/dbraw/zinc/55/94/87/531559487.db2.gz KFAKCYKAHGETEV-MNOVXSKESA-N 1 0 394.324 1.776 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CCCC1 ZINC000659733587 531559690 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1.168 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1Cl ZINC000416052044 531554213 /nfs/dbraw/zinc/55/42/13/531554213.db2.gz UIGYKVYDGJPTKL-LLVKDONJSA-N 1 0 387.811 1.822 20 0 GDADRO CSc1nnc(CNC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000659701796 531554448 /nfs/dbraw/zinc/55/44/48/531554448.db2.gz KDERUOWMISYKIK-GFCCVEGCSA-N 1 0 383.543 1.114 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000558562325 531569817 /nfs/dbraw/zinc/56/98/17/531569817.db2.gz KRIRAWFAMCWIBR-UHFFFAOYSA-N 1 0 383.286 1.744 20 0 GDADRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000268798282 531571570 /nfs/dbraw/zinc/57/15/70/531571570.db2.gz ADALHAYBRGLMRM-BXUZGUMPSA-N 1 0 382.404 1.281 20 0 GDADRO C[NH2+][C@H]1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000583380971 531573905 /nfs/dbraw/zinc/57/39/05/531573905.db2.gz PIKQJDIPHOAGNF-HOTGVXAUSA-N 1 0 385.917 1.568 20 0 GDADRO C[C@H](CCCC[NH3+])NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000583441661 531575543 /nfs/dbraw/zinc/57/55/43/531575543.db2.gz CKIMXELXFBZAEE-LLVKDONJSA-N 1 0 377.304 1.857 20 0 GDADRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000364566248 531577154 /nfs/dbraw/zinc/57/71/54/531577154.db2.gz WVFOUZYNUWRXAI-WBVHZDCISA-N 1 0 383.901 1.173 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1I ZINC000583499734 531580474 /nfs/dbraw/zinc/58/04/74/531580474.db2.gz XPCZEHDADNXZMY-ZWNOBZJWSA-N 1 0 394.278 1.957 20 0 GDADRO CC[NH+](CC)[C@@H](CNc1nc(C)c(S(N)(=O)=O)s1)Cc1ccccc1 ZINC000558755910 531580331 /nfs/dbraw/zinc/58/03/31/531580331.db2.gz UGZAMHYUKCEPDW-OAHLLOKOSA-N 1 0 382.555 2.464 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000281117520 531580654 /nfs/dbraw/zinc/58/06/54/531580654.db2.gz BTOSCTCLJHGKKY-CQSZACIVSA-N 1 0 395.301 1.332 20 0 GDADRO [NH3+]C1(C(=O)NC[C@@H](O)COc2ccc(I)cc2)CCC1 ZINC000583498506 531581189 /nfs/dbraw/zinc/58/11/89/531581189.db2.gz XWOICBQPVQARJR-LLVKDONJSA-N 1 0 390.221 1.029 20 0 GDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000281122716 531582495 /nfs/dbraw/zinc/58/24/95/531582495.db2.gz SJTJBDMGMDMLDC-ZDUSSCGKSA-N 1 0 387.933 1.754 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000493945366 531584340 /nfs/dbraw/zinc/58/43/40/531584340.db2.gz QJMPPJYMFWCMOL-GFCCVEGCSA-N 1 0 383.695 1.447 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000268905025 531585624 /nfs/dbraw/zinc/58/56/24/531585624.db2.gz YAPPHHZGXAWJFI-LSDHHAIUSA-N 1 0 385.306 1.028 20 0 GDADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(Cn3cc(Br)cn3)on1)C2 ZINC000614038643 531585595 /nfs/dbraw/zinc/58/55/95/531585595.db2.gz WQIZRPGGRARKOT-UHFFFAOYSA-N 1 0 380.246 1.460 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000614011187 531585770 /nfs/dbraw/zinc/58/57/70/531585770.db2.gz MGYAOYYFUZZGHZ-CYBMUJFWSA-N 1 0 393.289 1.981 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000416373270 531585894 /nfs/dbraw/zinc/58/58/94/531585894.db2.gz ONCJSENOLPMVAI-CABCVRRESA-N 1 0 385.917 1.913 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000614065715 531588404 /nfs/dbraw/zinc/58/84/04/531588404.db2.gz SZHGZZXVGBZRTG-KRWDZBQOSA-N 1 0 393.285 1.921 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000268930522 531589787 /nfs/dbraw/zinc/58/97/87/531589787.db2.gz LXSMYUUAPQZZIO-HNNXBMFYSA-N 1 0 398.276 1.967 20 0 GDADRO CNC(=O)C[C@@H](C)[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000268951785 531591147 /nfs/dbraw/zinc/59/11/47/531591147.db2.gz VLECDTBBNFLTOI-LLVKDONJSA-N 1 0 386.290 1.692 20 0 GDADRO CS[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2C)C[C@H]1[NH+]1CCCC1 ZINC000614278302 531592440 /nfs/dbraw/zinc/59/24/40/531592440.db2.gz SOWOLMHAZTZZFV-CVEARBPZSA-N 1 0 383.539 1.294 20 0 GDADRO CC(C)(CCS(=O)(=O)NCCCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000416388109 531592931 /nfs/dbraw/zinc/59/29/31/531592931.db2.gz KYIWUJMJJHTBQK-UHFFFAOYSA-N 1 0 382.592 1.775 20 0 GDADRO COc1cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)ccc1S(C)(=O)=O ZINC000281214035 531593630 /nfs/dbraw/zinc/59/36/30/531593630.db2.gz SUIQSSNXPWFPKV-GFCCVEGCSA-N 1 0 375.512 1.717 20 0 GDADRO COc1cc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)sc1S(N)(=O)=O ZINC000583813439 531595809 /nfs/dbraw/zinc/59/58/09/531595809.db2.gz RXHVATAOMRUHBB-UHFFFAOYSA-N 1 0 385.442 1.441 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)C[C@@H]1[NH+](C)C ZINC000451354341 531596815 /nfs/dbraw/zinc/59/68/15/531596815.db2.gz RIFGPFOKRKVFTF-HOTGVXAUSA-N 1 0 385.555 1.947 20 0 GDADRO CC(C)(C)n1cc(Br)c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)n1 ZINC000614513924 531598983 /nfs/dbraw/zinc/59/89/83/531598983.db2.gz HJMXTRZNLGOJQV-GFCCVEGCSA-N 1 0 384.322 1.520 20 0 GDADRO CSCC[C@@H]([NH3+])C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000269045734 531601801 /nfs/dbraw/zinc/60/18/01/531601801.db2.gz DWIVARIPBMMOOM-DZGCQCFKSA-N 1 0 389.518 1.175 20 0 GDADRO CC(C)[NH+](CCNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC000364854404 531601051 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[NH3+]CCn1cc(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)nn1 ZINC000662408680 531677061 /nfs/dbraw/zinc/67/70/61/531677061.db2.gz WSSNLWIISSKHAE-GFCCVEGCSA-N 1 0 393.289 1.256 20 0 GDADRO O=C([C@H]1CCC(=O)N1Cc1ccc(Br)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927049 531677209 /nfs/dbraw/zinc/67/72/09/531677209.db2.gz RZPINLDEGFXSKJ-OWCLPIDISA-N 1 0 392.297 1.903 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000662427803 531677414 /nfs/dbraw/zinc/67/74/14/531677414.db2.gz LMOATIYFADSWIC-ZDUSSCGKSA-N 1 0 381.278 1.870 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(Br)c(F)c1 ZINC000501974946 531678983 /nfs/dbraw/zinc/67/89/83/531678983.db2.gz MDSNZXLEGLHBAE-CQSZACIVSA-N 1 0 386.265 1.587 20 0 GDADRO [NH3+][C@H]1CC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000639021103 531680286 /nfs/dbraw/zinc/68/02/86/531680286.db2.gz ABYOEVIDRLZFAI-HDJSIYSDSA-N 1 0 385.555 1.851 20 0 GDADRO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639028377 531680645 /nfs/dbraw/zinc/68/06/45/531680645.db2.gz ZNWQGCPZQCXNAM-CZUORRHYSA-N 1 0 385.917 1.609 20 0 GDADRO O=C(c1ccsc1)N1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662515922 531682145 /nfs/dbraw/zinc/68/21/45/531682145.db2.gz UHDVZZBDDGAVSK-HNNXBMFYSA-N 1 0 375.416 1.965 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000639145293 531683173 /nfs/dbraw/zinc/68/31/73/531683173.db2.gz UNCPMNDETJKHAK-HNNXBMFYSA-N 1 0 376.567 1.465 20 0 GDADRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000560898916 531671585 /nfs/dbraw/zinc/67/15/85/531671585.db2.gz BHQAGBSQGYAIIF-BBRMVZONSA-N 1 0 385.555 1.341 20 0 GDADRO N[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000662710802 531694052 /nfs/dbraw/zinc/69/40/52/531694052.db2.gz ZFGPHPKAYQXWSE-XJKSGUPXSA-N 1 0 382.302 1.818 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662783646 531695885 /nfs/dbraw/zinc/69/58/85/531695885.db2.gz FZVNENWFRGCSFD-KFWWJZLASA-N 1 0 384.274 1.416 20 0 GDADRO C[C@@]12C[NH+](Cc3cn4ccc(Br)cc4n3)C[C@@]1(C)C(=O)NC2=O ZINC000639365933 531690436 /nfs/dbraw/zinc/69/04/36/531690436.db2.gz SUVNZSPRECPNFU-HOTGVXAUSA-N 1 0 377.242 1.581 20 0 GDADRO C[C@@H]1CN(C(=O)c2cc(Br)ccc2-n2cnnn2)C[C@@]1(C)C[NH3+] ZINC000662572788 531690572 /nfs/dbraw/zinc/69/05/72/531690572.db2.gz CZNNATXZQNNVHU-MEBBXXQBSA-N 1 0 379.262 1.482 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)c3sc4c(c3Br)CNC4)C[C@H]2[NH3+])cn1 ZINC000662579869 531690603 /nfs/dbraw/zinc/69/06/03/531690603.db2.gz IPYDVALWPBRZQP-WDEREUQCSA-N 1 0 396.314 1.414 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000662635186 531692554 /nfs/dbraw/zinc/69/25/54/531692554.db2.gz KOMBGMRTPNNHCL-AWEZNQCLSA-N 1 0 385.295 1.510 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC[C@H]1F ZINC000662944655 531700912 /nfs/dbraw/zinc/70/09/12/531700912.db2.gz PHLXDOKIZOGXOR-VXGBXAGGSA-N 1 0 398.287 1.560 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000282080515 531702624 /nfs/dbraw/zinc/70/26/24/531702624.db2.gz ZFQNWMREELSCPI-QWRGUYRKSA-N 1 0 384.893 1.671 20 0 GDADRO C[C@]12C[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C[C@@]1(C)C(=O)NC2=O ZINC000639951427 531712056 /nfs/dbraw/zinc/71/20/56/531712056.db2.gz MTTFDBXJHWMSIN-PZDALLCQSA-N 1 0 387.263 1.718 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662963562 531704281 /nfs/dbraw/zinc/70/42/81/531704281.db2.gz VLYWPRCJOGFGIF-UHFFFAOYSA-N 1 0 397.317 1.166 20 0 GDADRO CCN(C1CC[NH+](C[C@@H](O)COCc2cccs2)CC1)S(C)(=O)=O ZINC000269653350 531704569 /nfs/dbraw/zinc/70/45/69/531704569.db2.gz REYXHQMKBQUKEH-OAHLLOKOSA-N 1 0 376.544 1.372 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1CC[C@@H]3CC[NH2+][C@@H]3C1)C2 ZINC000662993019 531705718 /nfs/dbraw/zinc/70/57/18/531705718.db2.gz KJLHETLDDOUOGO-SWLSCSKDSA-N 1 0 392.297 1.810 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)C2 ZINC000662993663 531706141 /nfs/dbraw/zinc/70/61/41/531706141.db2.gz QIFWRTOQXUHSDU-VXGBXAGGSA-N 1 0 380.286 1.809 20 0 GDADRO C[C@H]1NC(=O)N(CC[N@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1=O ZINC000639919132 531708429 /nfs/dbraw/zinc/70/84/29/531708429.db2.gz PLAFDAWALMMWKX-ZWNOBZJWSA-N 1 0 390.267 1.605 20 0 GDADRO C[C@H](CCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl)[NH+](C)C ZINC000664841822 531729872 /nfs/dbraw/zinc/72/98/72/531729872.db2.gz SKLGPCPXUMATOW-LLVKDONJSA-N 1 0 394.900 1.397 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)s1 ZINC000416663594 531730841 /nfs/dbraw/zinc/73/08/41/531730841.db2.gz QQWHZPWXTMAJGY-UHFFFAOYSA-N 1 0 387.571 1.922 20 0 GDADRO Cc1nn(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c(=O)o1 ZINC000639987051 531714422 /nfs/dbraw/zinc/71/44/22/531714422.db2.gz YVBKRXUQSCDFPD-UHFFFAOYSA-N 1 0 397.273 1.498 20 0 GDADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000663490319 531714849 /nfs/dbraw/zinc/71/48/49/531714849.db2.gz UBJJBZICQUWUMY-UHFFFAOYSA-N 1 0 377.242 1.449 20 0 GDADRO C[C@]1(NC(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)CC[NH2+]C1 ZINC000663615070 531716349 /nfs/dbraw/zinc/71/63/49/531716349.db2.gz DHUQBCVWIVIQBB-INIZCTEOSA-N 1 0 392.257 1.442 20 0 GDADRO O=C(NCCCCC[NH+]1CCCC1)NCCNS(=O)(=O)c1cccs1 ZINC000296712053 531716597 /nfs/dbraw/zinc/71/65/97/531716597.db2.gz BNJLYGLYJWHAMU-UHFFFAOYSA-N 1 0 388.559 1.592 20 0 GDADRO COC[C@]1(CO)CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000451934037 531718096 /nfs/dbraw/zinc/71/80/96/531718096.db2.gz VFSUJSBEMPTKCR-CXAGYDPISA-N 1 0 385.302 1.957 20 0 GDADRO CN(C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000664082635 531718925 /nfs/dbraw/zinc/71/89/25/531718925.db2.gz JBVFRDRYLMYJML-WFASDCNBSA-N 1 0 389.327 1.914 20 0 GDADRO Cc1c(I)cccc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619873319 531719766 /nfs/dbraw/zinc/71/97/66/531719766.db2.gz CWJHVFGCDIUBCA-ZDUSSCGKSA-N 1 0 399.276 1.719 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)[NH+](C)C ZINC000451940323 531720941 /nfs/dbraw/zinc/72/09/41/531720941.db2.gz XPAGLTHXWWEKDU-STQMWFEESA-N 1 0 376.906 1.984 20 0 GDADRO C[C@@H]1CO[C@@H](C)CN1CCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640301453 531732252 /nfs/dbraw/zinc/73/22/52/531732252.db2.gz CJKAUWMZPRENMI-ZJUUUORDSA-N 1 0 383.802 2.330 20 0 GDADRO O=S(=O)(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1C(F)(F)F ZINC000366298314 531734205 /nfs/dbraw/zinc/73/42/05/531734205.db2.gz BQHMAHHOVLJRHZ-VROVMSAKSA-N 1 0 385.205 1.964 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000665529852 531735311 /nfs/dbraw/zinc/73/53/11/531735311.db2.gz WJTJEXURYOHYLO-UHFFFAOYSA-N 1 0 396.289 1.350 20 0 GDADRO CC(C)C[NH+]1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000665531323 531735547 /nfs/dbraw/zinc/73/55/47/531735547.db2.gz XSNLHEZJCSQIHX-UHFFFAOYSA-N 1 0 393.289 1.839 20 0 GDADRO CSC1(CNC(=O)C(=O)Nc2ccc(F)c(F)c2F)CC[NH+](C)CC1 ZINC000562151972 531737908 /nfs/dbraw/zinc/73/79/08/531737908.db2.gz VSURZCFJGMSDHS-UHFFFAOYSA-N 1 0 375.416 1.986 20 0 GDADRO COC(=O)c1cn(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000591766452 531739587 /nfs/dbraw/zinc/73/95/87/531739587.db2.gz ILCVIQSPKMLJCK-NSHDSACASA-N 1 0 389.239 1.401 20 0 GDADRO O=S1(=O)CCC2(CCN(c3cc(N4CCSCC4)ncn3)CC2)CC1 ZINC000562351474 531749761 /nfs/dbraw/zinc/74/97/61/531749761.db2.gz WJZPWRSPORFPEB-UHFFFAOYSA-N 1 0 382.555 1.825 20 0 GDADRO Cn1cc(Br)c(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000640316132 531741711 /nfs/dbraw/zinc/74/17/11/531741711.db2.gz CVNGQKAMCYQWMU-GFCCVEGCSA-N 1 0 386.294 1.901 20 0 GDADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282343175 531741717 /nfs/dbraw/zinc/74/17/17/531741717.db2.gz LHIVXRJBMYGMPG-ZDUSSCGKSA-N 1 0 398.301 1.663 20 0 GDADRO COc1ccc([C@H](C)NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1Br ZINC000416891160 531743567 /nfs/dbraw/zinc/74/35/67/531743567.db2.gz MXHNZAGLPPHIFV-WCQYABFASA-N 1 0 385.306 1.722 20 0 GDADRO COc1ccc([C@H](C)NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1Br ZINC000416891158 531744807 /nfs/dbraw/zinc/74/48/07/531744807.db2.gz MXHNZAGLPPHIFV-AAEUAGOBSA-N 1 0 385.306 1.722 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000416948271 531748272 /nfs/dbraw/zinc/74/82/72/531748272.db2.gz JQMQZGBEWSDGPM-WFASDCNBSA-N 1 0 388.921 1.530 20 0 GDADRO COC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc(S(C)(=O)=O)c1 ZINC000591674017 531733616 /nfs/dbraw/zinc/73/36/16/531733616.db2.gz AOFZWWMRYZJYJR-LBPRGKRZSA-N 1 0 376.381 1.060 20 0 GDADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000366503474 531752688 /nfs/dbraw/zinc/75/26/88/531752688.db2.gz FTHHTXVPFFVBFW-WOPDTQHZSA-N 1 0 384.249 1.618 20 0 GDADRO Cn1cc(Br)cc1-c1nnc(N2CCN3CCOC[C@H]3C2)n1C ZINC000507979096 531756637 /nfs/dbraw/zinc/75/66/37/531756637.db2.gz DFBMKAPPKSCIMX-GFCCVEGCSA-N 1 0 381.278 1.104 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417211061 531759221 /nfs/dbraw/zinc/75/92/21/531759221.db2.gz RQYHWXRSOWVQQW-HIFRSBDPSA-N 1 0 397.317 1.996 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(CC(=O)Nc2ccc(Br)cc2)nn1 ZINC000640754513 531760581 /nfs/dbraw/zinc/76/05/81/531760581.db2.gz JYJHONWYIVXMFW-LBPRGKRZSA-N 1 0 382.262 1.586 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(CC(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640759556 531760780 /nfs/dbraw/zinc/76/07/80/531760780.db2.gz WEJCCIJZEGGVCV-NSHDSACASA-N 1 0 382.262 1.504 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000452098975 531761298 /nfs/dbraw/zinc/76/12/98/531761298.db2.gz VPCFSQYLDGLDEH-BETUJISGSA-N 1 0 387.468 1.689 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000417231935 531762338 /nfs/dbraw/zinc/76/23/38/531762338.db2.gz ZTIAIPDOEDSVDG-CYBMUJFWSA-N 1 0 385.262 1.147 20 0 GDADRO COC[C@]1(CNC(=O)NCCOc2ccc(Br)cc2)CCC[NH2+]1 ZINC000417317654 531764995 /nfs/dbraw/zinc/76/49/95/531764995.db2.gz JHNGIDFFWQQULT-MRXNPFEDSA-N 1 0 386.290 1.896 20 0 GDADRO COc1ccc2c(c1)C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)CO2 ZINC000562564214 531765177 /nfs/dbraw/zinc/76/51/77/531765177.db2.gz FKQFLQGLLLBWDI-CQSZACIVSA-N 1 0 382.507 1.937 20 0 GDADRO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(Br)c(C)n2)CC[N@H+](C)C1 ZINC000416991081 531751725 /nfs/dbraw/zinc/75/17/25/531751725.db2.gz NZHZVEXKJQCQMQ-NSHDSACASA-N 1 0 385.262 1.721 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000562821300 531780455 /nfs/dbraw/zinc/78/04/55/531780455.db2.gz LMBUXTUDLJAUHX-QLFBSQMISA-N 1 0 380.286 1.761 20 0 GDADRO C[C@@H]1CN(C(=O)NCCC(=O)N(C)Cc2ccccc2Br)C[C@H]1[NH3+] ZINC000417579498 531780845 /nfs/dbraw/zinc/78/08/45/531780845.db2.gz ATVUMMDXRJNASC-IUODEOHRSA-N 1 0 397.317 1.786 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000562821401 531780996 /nfs/dbraw/zinc/78/09/96/531780996.db2.gz XPGQAXKPMLXHJQ-BYCMXARLSA-N 1 0 380.286 1.619 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(I)cc2)CO1 ZINC000592363217 531781841 /nfs/dbraw/zinc/78/18/41/531781841.db2.gz SVUGTDAHKMKVSG-RAIGVLPGSA-N 1 0 377.222 1.798 20 0 GDADRO O=C(NCc1cn(Cc2cncc(Br)c2)nn1)C1CC[NH2+]CC1 ZINC000641162057 531782056 /nfs/dbraw/zinc/78/20/56/531782056.db2.gz ORAQJIKGQUQUEZ-UHFFFAOYSA-N 1 0 379.262 1.100 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)C[C@H]1[NH+](C)C ZINC000282673561 531782632 /nfs/dbraw/zinc/78/26/32/531782632.db2.gz QQNUXGWHSSUBQK-CHWSQXEVSA-N 1 0 377.919 1.105 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000417588976 531782752 /nfs/dbraw/zinc/78/27/52/531782752.db2.gz UTKQGWDDIGTFRR-GFCCVEGCSA-N 1 0 385.306 1.786 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CCO1 ZINC000417605477 531782862 /nfs/dbraw/zinc/78/28/62/531782862.db2.gz YGYZPRKUDDGDIO-OLZOCXBDSA-N 1 0 383.290 1.397 20 0 GDADRO C[C@H](c1ncc(Br)cn1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641175361 531782925 /nfs/dbraw/zinc/78/29/25/531782925.db2.gz KMXJMAIQHAYJLO-LLVKDONJSA-N 1 0 380.294 1.406 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000640848371 531767624 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[NH3+]CC1CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000417464661 531774443 /nfs/dbraw/zinc/77/44/43/531774443.db2.gz QZIGJZIAYIWPGR-UHFFFAOYSA-N 1 0 397.317 1.949 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452372088 531774793 /nfs/dbraw/zinc/77/47/93/531774793.db2.gz UOGZMTDNQCBRIK-AWEZNQCLSA-N 1 0 395.301 1.982 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC[NH2+]C1CC1 ZINC000592295281 531775076 /nfs/dbraw/zinc/77/50/76/531775076.db2.gz HPNPYCYHUXXKHX-INIZCTEOSA-N 1 0 385.555 1.263 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000667295509 531775361 /nfs/dbraw/zinc/77/53/61/531775361.db2.gz NLOMYJYAMCMRFW-UHFFFAOYSA-N 1 0 377.242 1.804 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417476989 531776563 /nfs/dbraw/zinc/77/65/63/531776563.db2.gz CELBBMKBJFJVFB-SWLSCSKDSA-N 1 0 397.317 1.866 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000417481148 531776870 /nfs/dbraw/zinc/77/68/70/531776870.db2.gz HDYCXDSZSSQCNN-OAHLLOKOSA-N 1 0 397.317 1.962 20 0 GDADRO [NH3+]C[C@@H](O)CCc1cn([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)nn1 ZINC000641108789 531776909 /nfs/dbraw/zinc/77/69/09/531776909.db2.gz NUAGOGQDTVWKSJ-WFASDCNBSA-N 1 0 384.267 1.815 20 0 GDADRO Cc1csc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1I ZINC000592308542 531777053 /nfs/dbraw/zinc/77/70/53/531777053.db2.gz OCKYNOYKQQVXDR-DTWKUNHWSA-N 1 0 380.251 1.849 20 0 GDADRO [NH3+]C[C@@H](O)CCc1cn([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nn1 ZINC000641109461 531777142 /nfs/dbraw/zinc/77/71/42/531777142.db2.gz RRVGQCLJAWJWGD-SWLSCSKDSA-N 1 0 384.267 1.815 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417494937 531777512 /nfs/dbraw/zinc/77/75/12/531777512.db2.gz YUWXPAZNTXTXDN-WFASDCNBSA-N 1 0 397.317 1.996 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2CC[NH2+][C@@H](C)C2)s1 ZINC000417517439 531777529 /nfs/dbraw/zinc/77/75/29/531777529.db2.gz QDLSQFWVKOIBGG-ZDUSSCGKSA-N 1 0 388.559 1.324 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NC(C)(C)C[NH3+])s1 ZINC000417517488 531777882 /nfs/dbraw/zinc/77/78/82/531777882.db2.gz QINNUDAJWMVGAE-UHFFFAOYSA-N 1 0 376.548 1.358 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N(C)CC[NH2+]C)s1 ZINC000417499008 531778004 /nfs/dbraw/zinc/77/80/04/531778004.db2.gz DJRBKSUCQYLOOD-UHFFFAOYSA-N 1 0 376.548 1.182 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)CCc2cccc(Cl)c2)C1 ZINC000508528126 531778875 /nfs/dbraw/zinc/77/88/75/531778875.db2.gz LACXFALRQBFPKR-HNNXBMFYSA-N 1 0 387.933 1.389 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)s1 ZINC000417517883 531779076 /nfs/dbraw/zinc/77/90/76/531779076.db2.gz RNDMLBSJPBQNEW-TZMCWYRMSA-N 1 0 388.559 1.310 20 0 GDADRO Cc1cccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1Br ZINC000366798805 531779642 /nfs/dbraw/zinc/77/96/42/531779642.db2.gz IXKDACQXQHSPGZ-HNNXBMFYSA-N 1 0 396.329 1.894 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CCO1 ZINC000667399667 531780100 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O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)NC1CC[NH2+]CC1 ZINC000417847571 531786692 /nfs/dbraw/zinc/78/66/92/531786692.db2.gz ZHNOYXREDFZVSR-UHFFFAOYSA-N 1 0 376.770 1.953 20 0 GDADRO O=C(NCCC[NH+]1CCCCC1)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000269860665 531786818 /nfs/dbraw/zinc/78/68/18/531786818.db2.gz QXGYUJRYRYZNIA-AWEZNQCLSA-N 1 0 389.543 1.058 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cnn(C)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000297373819 531787433 /nfs/dbraw/zinc/78/74/33/531787433.db2.gz CYOLFPTVMMYATF-GFCCVEGCSA-N 1 0 376.910 1.045 20 0 GDADRO C[C@H](CNC(=O)NCCN1CC[NH2+]CC1)Oc1ccccc1Br ZINC000417814394 531787603 /nfs/dbraw/zinc/78/76/03/531787603.db2.gz AVKLPRPKCYTGTG-CYBMUJFWSA-N 1 0 385.306 1.421 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417903287 531789332 /nfs/dbraw/zinc/78/93/32/531789332.db2.gz YLOKUUYEFJWNNE-CQSZACIVSA-N 1 0 383.334 1.975 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000417916545 531790832 /nfs/dbraw/zinc/79/08/32/531790832.db2.gz VMFQYBAUVZAFPL-AWEZNQCLSA-N 1 0 383.290 1.528 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(OC)c(OC)c1Br ZINC000592487050 531790981 /nfs/dbraw/zinc/79/09/81/531790981.db2.gz AAYSWUWWIDYCHI-GFCCVEGCSA-N 1 0 387.274 1.803 20 0 GDADRO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000592491269 531791668 /nfs/dbraw/zinc/79/16/68/531791668.db2.gz IWMIFCHHPVDETE-WFASDCNBSA-N 1 0 398.301 1.463 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000269870178 531791681 /nfs/dbraw/zinc/79/16/81/531791681.db2.gz FQUJDMLYDIPYEG-QGZVFWFLSA-N 1 0 383.539 1.533 20 0 GDADRO CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)[C@@H](C)C1 ZINC000623026515 531794775 /nfs/dbraw/zinc/79/47/75/531794775.db2.gz LEOUXUHATPJDMU-NSHDSACASA-N 1 0 379.262 1.591 20 0 GDADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511545112 531795146 /nfs/dbraw/zinc/79/51/46/531795146.db2.gz ISKXOROPGFIBMT-MRXNPFEDSA-N 1 0 386.290 1.728 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)N[C@H](C)C[NH3+])C2=O)ccc1Br ZINC000418009253 531797154 /nfs/dbraw/zinc/79/71/54/531797154.db2.gz HXUPGKVBSODKEM-BXUZGUMPSA-N 1 0 383.290 1.899 20 0 GDADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000563010904 531797226 /nfs/dbraw/zinc/79/72/26/531797226.db2.gz KNGWKCADKVCMFG-USXIJHARSA-N 1 0 390.933 1.525 20 0 GDADRO COCC[NH2+]CCNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000418009748 531797654 /nfs/dbraw/zinc/79/76/54/531797654.db2.gz FTBWXRZWZOUTCZ-UHFFFAOYSA-N 1 0 384.278 1.440 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])C2=O)ccc1Br ZINC000418019821 531797886 /nfs/dbraw/zinc/79/78/86/531797886.db2.gz YMTCMMNNEXPKNC-MJVIPROJSA-N 1 0 383.290 1.898 20 0 GDADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H](C[NH3+])C3)nc12 ZINC000418021247 531798824 /nfs/dbraw/zinc/79/88/24/531798824.db2.gz PDBFVCDOIIEASV-GFCCVEGCSA-N 1 0 380.290 1.938 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)NCc1cc2cc(Br)ccc2[nH]1 ZINC000418032211 531799031 /nfs/dbraw/zinc/79/90/31/531799031.db2.gz MCAJVYDSPIKRSX-UHFFFAOYSA-N 1 0 380.290 1.635 20 0 GDADRO [NH3+]CCN(CCO)C(=O)NCc1cc(Br)ccc1Br ZINC000418051599 531799479 /nfs/dbraw/zinc/79/94/79/531799479.db2.gz YPQVTILMQJZJFO-UHFFFAOYSA-N 1 0 395.095 1.674 20 0 GDADRO CCC[C@@]1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCOC1 ZINC000512276603 531799503 /nfs/dbraw/zinc/79/95/03/531799503.db2.gz MEADQFRFKBQWNY-OAHLLOKOSA-N 1 0 375.878 1.475 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H](COC(F)F)C2)cc1 ZINC000512839440 531800307 /nfs/dbraw/zinc/80/03/07/531800307.db2.gz IJULRKZIPOQPTL-ZDUSSCGKSA-N 1 0 378.441 1.877 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000418126789 531802762 /nfs/dbraw/zinc/80/27/62/531802762.db2.gz MBRWBDJSCBMFCJ-YESZJQIVSA-N 1 0 393.329 1.994 20 0 GDADRO C[C@H]([NH3+])C1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000516467647 531818670 /nfs/dbraw/zinc/81/86/70/531818670.db2.gz HHZIFUPLHKURDZ-JTQLQIEISA-N 1 0 394.324 1.858 20 0 GDADRO COC(=O)CNC(=O)[C@@H]1CCCN1Cc1ccc(OC)cc1Br ZINC000418122168 531802893 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1.164 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000418800593 531843164 /nfs/dbraw/zinc/84/31/64/531843164.db2.gz BQWMSNKYQLSUAT-COPLHBTASA-N 1 0 384.249 1.381 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000298042865 531844231 /nfs/dbraw/zinc/84/42/31/531844231.db2.gz ZOEGAFNDZHIUHB-GOSISDBHSA-N 1 0 394.313 1.962 20 0 GDADRO [NH3+]CCCOCCNS(=O)(=O)c1cc(Br)sc1Cl ZINC000624408348 531844320 /nfs/dbraw/zinc/84/43/20/531844320.db2.gz OWKSWDPSCFFKBX-UHFFFAOYSA-N 1 0 377.713 1.808 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418814888 531844899 /nfs/dbraw/zinc/84/48/99/531844899.db2.gz WETYHNAPPHBZSE-OLUVUFQESA-N 1 0 384.249 1.381 20 0 GDADRO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000283244059 531844979 /nfs/dbraw/zinc/84/49/79/531844979.db2.gz DKJOZIPRCPRBBM-AWEZNQCLSA-N 1 0 384.889 1.359 20 0 GDADRO C[C@@H]1CCSCCN1C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000671149635 531846850 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O=C(NCCn1cc(Br)ccc1=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563606178 531855983 /nfs/dbraw/zinc/85/59/83/531855983.db2.gz ASHPQYXHTPBXMJ-MBNYWOFBSA-N 1 0 383.290 1.298 20 0 GDADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CCO1 ZINC000642351387 531858538 /nfs/dbraw/zinc/85/85/38/531858538.db2.gz NUPFCKDXXKAPIO-XHDPSFHLSA-N 1 0 388.295 1.617 20 0 GDADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000642351350 531858668 /nfs/dbraw/zinc/85/86/68/531858668.db2.gz DIYWEOHZPSUZTI-BXUZGUMPSA-N 1 0 396.285 1.586 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000418868604 531859047 /nfs/dbraw/zinc/85/90/47/531859047.db2.gz QXKIOKUSDIEOIK-OCCSQVGLSA-N 1 0 397.317 1.244 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563661303 531860549 /nfs/dbraw/zinc/86/05/49/531860549.db2.gz UVBROPRXCBFTPG-UHFFFAOYSA-N 1 0 382.302 1.832 20 0 GDADRO NS(=O)(=O)Cc1cccc(CNC(=O)C2CCN(CC(F)F)CC2)c1 ZINC000672842549 531869132 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GDADRO Cc1cc(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1Br ZINC000418983489 531876162 /nfs/dbraw/zinc/87/61/62/531876162.db2.gz CNFSHZVNZYTSKO-UHFFFAOYSA-N 1 0 394.313 1.976 20 0 GDADRO C[NH+](C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000298313477 531876329 /nfs/dbraw/zinc/87/63/29/531876329.db2.gz LHFPRRNCAMRRLC-ZDUSSCGKSA-N 1 0 389.905 1.089 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1Br ZINC000419001373 531877403 /nfs/dbraw/zinc/87/74/03/531877403.db2.gz ARXWCDSENNFITR-ZWNOBZJWSA-N 1 0 386.290 1.734 20 0 GDADRO O=C(NCCNC(=O)[C@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000644050219 531877586 /nfs/dbraw/zinc/87/75/86/531877586.db2.gz LEQKGTUAGAVHFR-GFCCVEGCSA-N 1 0 390.228 1.540 20 0 GDADRO CC[NH+]1CCC(NC(=O)c2ccc(OC)c(I)n2)CC1 ZINC000270482992 531877628 /nfs/dbraw/zinc/87/76/28/531877628.db2.gz JJARAKILJGFGCY-UHFFFAOYSA-N 1 0 389.237 1.909 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000419002150 531879287 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CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)NCC ZINC000673590459 531882059 /nfs/dbraw/zinc/88/20/59/531882059.db2.gz SIIILUXVMZIEDW-AWEZNQCLSA-N 1 0 391.559 1.384 20 0 GDADRO Cc1nc(-c2ccc(CNC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)s2)cs1 ZINC000566246777 531882081 /nfs/dbraw/zinc/88/20/81/531882081.db2.gz UBHMRJWPQZYTIV-UHFFFAOYSA-N 1 0 399.563 1.963 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000419026026 531883204 /nfs/dbraw/zinc/88/32/04/531883204.db2.gz SXMIXYTZXPHGTP-BXUZGUMPSA-N 1 0 396.285 1.505 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000566317893 531883522 /nfs/dbraw/zinc/88/35/22/531883522.db2.gz JZYFIZRYHQWEOR-KGLIPLIRSA-N 1 0 386.543 1.218 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419050508 531891546 /nfs/dbraw/zinc/89/15/46/531891546.db2.gz DDFKSONECUTQQA-JQWIXIFHSA-N 1 0 386.265 1.585 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCSC[C@H]1c1nccs1)C[NH+]1CCCC1 ZINC000283780172 531893004 /nfs/dbraw/zinc/89/30/04/531893004.db2.gz CMHAQRIIWLBACH-KGLIPLIRSA-N 1 0 382.555 1.608 20 0 GDADRO CC[C@H]1CN(C(=O)CN2c3ccc(Br)cc3OCC2=O)CC[C@@H]1[NH3+] ZINC000647006377 531893061 /nfs/dbraw/zinc/89/30/61/531893061.db2.gz PFDKTBQYAFSODN-AAEUAGOBSA-N 1 0 396.285 1.760 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCc1cc(Br)cs1)C[NH+]1CCCC1 ZINC000283774271 531893282 /nfs/dbraw/zinc/89/32/82/531893282.db2.gz BKPPFMANSNWNEJ-LLVKDONJSA-N 1 0 388.331 1.975 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419053945 531893559 /nfs/dbraw/zinc/89/35/59/531893559.db2.gz KCLRZACZRMPZBB-ZIAGYGMSSA-N 1 0 398.301 1.073 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC[C@@H]1[NH3+] ZINC000647269756 531893817 /nfs/dbraw/zinc/89/38/17/531893817.db2.gz YZPXWDKKVRNTJI-ZANVPECISA-N 1 0 390.303 1.296 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1F ZINC000368110610 531893945 /nfs/dbraw/zinc/89/39/45/531893945.db2.gz UQSDAIVVVIAZER-ZDUSSCGKSA-N 1 0 390.502 1.239 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000419058125 531895029 /nfs/dbraw/zinc/89/50/29/531895029.db2.gz VQGIBVCAZJJRCY-ZDUSSCGKSA-N 1 0 396.329 1.954 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419057104 531895073 /nfs/dbraw/zinc/89/50/73/531895073.db2.gz SZLGGYUEYFFHGF-YVEFUNNKSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cc(Cl)cc(Br)c2)C[C@H](C)[NH2+]1 ZINC000419063995 531896139 /nfs/dbraw/zinc/89/61/39/531896139.db2.gz HCZAMWYWESNMBX-UWVGGRQHSA-N 1 0 388.693 1.928 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(Br)c2Cl)C[C@@H](C)[NH2+]1 ZINC000419059366 531896690 /nfs/dbraw/zinc/89/66/90/531896690.db2.gz XSUTWEFVOGMXBA-NXEZZACHSA-N 1 0 388.693 1.928 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419079708 531897419 /nfs/dbraw/zinc/89/74/19/531897419.db2.gz NLZVYWCELDRCNH-ZDUSSCGKSA-N 1 0 394.313 1.713 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)c2cccc(C)c2I)nn1C ZINC000595961094 531897817 /nfs/dbraw/zinc/89/78/17/531897817.db2.gz JDUZYACELKEPRO-UHFFFAOYSA-N 1 0 384.221 2.353 20 0 GDADRO C[C@H](CNC(=O)CNC(=O)c1ccccc1I)[NH+](C)C ZINC000298399696 531884929 /nfs/dbraw/zinc/88/49/29/531884929.db2.gz GHBADQUYWLXVLL-SNVBAGLBSA-N 1 0 389.237 1.087 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419037576 531885646 /nfs/dbraw/zinc/88/56/46/531885646.db2.gz IPDQIBOCPZVZLM-BXUZGUMPSA-N 1 0 396.285 1.457 20 0 GDADRO CC(C)(CO)[NH+]1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000673897147 531885991 /nfs/dbraw/zinc/88/59/91/531885991.db2.gz NZGQGMJUONNDKW-OAHLLOKOSA-N 1 0 387.318 1.577 20 0 GDADRO CCCN(C(=O)C(=O)NCc1ccc(Br)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000419039108 531886166 /nfs/dbraw/zinc/88/61/66/531886166.db2.gz KNIZIQHBICXRAQ-LBPRGKRZSA-N 1 0 386.265 1.805 20 0 GDADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419036770 531886237 /nfs/dbraw/zinc/88/62/37/531886237.db2.gz HAJHLQOELGKZOT-SMDDNHRTSA-N 1 0 396.285 1.647 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419038621 531886394 /nfs/dbraw/zinc/88/63/94/531886394.db2.gz JVHQBFWFVIDGRS-NEPJUHHUSA-N 1 0 384.249 1.272 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)C1 ZINC000419040060 531887207 /nfs/dbraw/zinc/88/72/07/531887207.db2.gz LQGOVLKJGLRPKD-CMPLNLGQSA-N 1 0 386.265 1.790 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419042020 531887668 /nfs/dbraw/zinc/88/76/68/531887668.db2.gz ORUIAZPYRIDQFR-JTNHKYCSSA-N 1 0 396.285 1.633 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000419043254 531888295 /nfs/dbraw/zinc/88/82/95/531888295.db2.gz NCMWXDBMTQGGSH-SKDRFNHKSA-N 1 0 375.803 1.672 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCc1ccc(Br)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000419042476 531888400 /nfs/dbraw/zinc/88/84/00/531888400.db2.gz PLILHVIVSSKPGW-PWSUYJOCSA-N 1 0 386.265 1.709 20 0 GDADRO CC[C@H](NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1nc(C(F)(F)F)cs1 ZINC000419042549 531888637 /nfs/dbraw/zinc/88/86/37/531888637.db2.gz LUGPONDAPRVLGD-ZJUUUORDSA-N 1 0 378.420 1.988 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000419046815 531889707 /nfs/dbraw/zinc/88/97/07/531889707.db2.gz ZFEHOKDBKLJAST-OLZOCXBDSA-N 1 0 384.274 1.488 20 0 GDADRO C[C@H](CC(=O)N(C)C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000566684552 531891034 /nfs/dbraw/zinc/89/10/34/531891034.db2.gz NYYWSRWSIHKSEL-SNVBAGLBSA-N 1 0 382.313 1.728 20 0 GDADRO CS[C@H]1CN(CC(=O)NCCc2nc3ccccc3s2)C[C@@H]1[NH+](C)C ZINC000270658529 531906352 /nfs/dbraw/zinc/90/63/52/531906352.db2.gz OAOOZESKZIQTNR-HOCLYGCPSA-N 1 0 378.567 1.932 20 0 GDADRO CC[C@@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000647938347 531907558 /nfs/dbraw/zinc/90/75/58/531907558.db2.gz KKAHQORXKIHLDP-TZMCWYRMSA-N 1 0 397.317 1.563 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1cc(F)ccc1Br ZINC000419163292 531907751 /nfs/dbraw/zinc/90/77/51/531907751.db2.gz WDKPREIJZROVMO-HZMBPMFUSA-N 1 0 386.265 1.933 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000419166092 531908898 /nfs/dbraw/zinc/90/88/98/531908898.db2.gz OHRSHKRYBNSIGV-NWDGAFQWSA-N 1 0 388.295 1.822 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000568722683 531914287 /nfs/dbraw/zinc/91/42/87/531914287.db2.gz FUDANKQRDOBORJ-YGRLFVJLSA-N 1 0 384.249 1.998 20 0 GDADRO CC(C)(CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1Br ZINC000419188739 531909630 /nfs/dbraw/zinc/90/96/30/531909630.db2.gz ORTJPQATYGVVTB-CYBMUJFWSA-N 1 0 396.329 1.959 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC(C)(C)c1ccccc1Br ZINC000419189630 531909720 /nfs/dbraw/zinc/90/97/20/531909720.db2.gz PXYDTLCUPZONMZ-WFASDCNBSA-N 1 0 396.329 1.957 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000419189538 531909831 /nfs/dbraw/zinc/90/98/31/531909831.db2.gz PTQHNJAAKFODSM-CYBMUJFWSA-N 1 0 396.329 1.911 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419191521 531910615 /nfs/dbraw/zinc/91/06/15/531910615.db2.gz RVWVQEFJBLQOLF-KGLIPLIRSA-N 1 0 395.301 1.012 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCO[C@@H](c3ccsc3)C2)CCSC1 ZINC000283929570 531910730 /nfs/dbraw/zinc/91/07/30/531910730.db2.gz FCANVSLISPHMSO-RHSMWYFYSA-N 1 0 383.539 1.202 20 0 GDADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1c(I)cnn1C ZINC000456394479 531912502 /nfs/dbraw/zinc/91/25/02/531912502.db2.gz YQMKHELOINQNLV-JTQLQIEISA-N 1 0 376.242 1.581 20 0 GDADRO CO[C@H]1CCN(C(=O)C(=O)NCCc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000419203102 531912957 /nfs/dbraw/zinc/91/29/57/531912957.db2.gz HKDYXVXXFHZPKE-KBPBESRZSA-N 1 0 398.301 1.073 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[N@H+](C)CC)cc1F ZINC000270722678 531913684 /nfs/dbraw/zinc/91/36/84/531913684.db2.gz LBLLQHXUDLURLV-UHFFFAOYSA-N 1 0 381.495 1.207 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000674628742 531900446 /nfs/dbraw/zinc/90/04/46/531900446.db2.gz DIRMVASTJAYTAR-UHFFFAOYSA-N 1 0 376.548 1.149 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000419119625 531901406 /nfs/dbraw/zinc/90/14/06/531901406.db2.gz SGBNKVJISXUSFW-PWSUYJOCSA-N 1 0 388.331 1.803 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419129483 531902029 /nfs/dbraw/zinc/90/20/29/531902029.db2.gz DERYFCXBPPWXRX-BXUZGUMPSA-N 1 0 388.295 1.993 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000419134268 531902387 /nfs/dbraw/zinc/90/23/87/531902387.db2.gz JNXLWJBDRASKPT-SKDRFNHKSA-N 1 0 388.693 1.962 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)NCCc1ccc(Br)s1)c1ccccc1 ZINC000419124064 531902757 /nfs/dbraw/zinc/90/27/57/531902757.db2.gz YYRHUWWFBZLVSV-CYBMUJFWSA-N 1 0 396.310 1.986 20 0 GDADRO O=C(NCCCOc1ccc(Cl)cc1Cl)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419136697 531902892 /nfs/dbraw/zinc/90/28/92/531902892.db2.gz PMDSJNJAAIJTAP-LBPRGKRZSA-N 1 0 388.295 1.994 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419130236 531903062 /nfs/dbraw/zinc/90/30/62/531903062.db2.gz DZTXJLDKKFOFJV-ZANVPECISA-N 1 0 388.693 1.833 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000419132060 531903072 /nfs/dbraw/zinc/90/30/72/531903072.db2.gz ASZPJYYBCOMBDU-FZMZJTMJSA-N 1 0 388.295 1.883 20 0 GDADRO O=C1CNCCN1[C@@H]1CCC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000647909627 531903461 /nfs/dbraw/zinc/90/34/61/531903461.db2.gz OYNJIJUPTSNXSP-OAHLLOKOSA-N 1 0 382.302 1.724 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1cccc(I)c1)[NH+](C)C ZINC000298599233 531903492 /nfs/dbraw/zinc/90/34/92/531903492.db2.gz LIVNHZWLMBIZCK-SECBINFHSA-N 1 0 375.210 1.296 20 0 GDADRO C[C@@H]1[C@H](C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)CC[N@@H+]1C ZINC000648923486 531917106 /nfs/dbraw/zinc/91/71/06/531917106.db2.gz DMPFESPHIGBYFF-TZMCWYRMSA-N 1 0 396.333 1.875 20 0 GDADRO COC(=O)c1cn(CC[NH2+]Cc2cc3c(cc2Br)OCO3)nn1 ZINC000283980523 531917185 /nfs/dbraw/zinc/91/71/85/531917185.db2.gz LMZYHGKHKSTDSQ-UHFFFAOYSA-N 1 0 383.202 1.346 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000625884340 531917396 /nfs/dbraw/zinc/91/73/96/531917396.db2.gz OUYNPTLIJPOPMT-UHFFFAOYSA-N 1 0 397.277 1.730 20 0 GDADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000568745872 531917515 /nfs/dbraw/zinc/91/75/15/531917515.db2.gz DLOXREVJMUXRMM-LRDDRELGSA-N 1 0 391.896 1.781 20 0 GDADRO [NH3+]C1(CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)CCOCC1 ZINC000625884188 531917578 /nfs/dbraw/zinc/91/75/78/531917578.db2.gz IGFCEYGUEUHHNR-UHFFFAOYSA-N 1 0 395.261 1.659 20 0 GDADRO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)Nc1nc(CC(F)(F)F)cs1 ZINC000625891231 531917787 /nfs/dbraw/zinc/91/77/87/531917787.db2.gz PJGALYRDAMUDKZ-SNVBAGLBSA-N 1 0 375.380 1.696 20 0 GDADRO COc1ccc(Br)c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC000649080187 531921556 /nfs/dbraw/zinc/92/15/56/531921556.db2.gz SBFIFMIRECKJDL-LLVKDONJSA-N 1 0 384.274 1.650 20 0 GDADRO O=C(NCc1ccc(O)c(Br)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000368556114 531921877 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GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419209611 531915463 /nfs/dbraw/zinc/91/54/63/531915463.db2.gz TVSOVYMCOKAVQM-ZWNOBZJWSA-N 1 0 384.274 1.188 20 0 GDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cc(Br)cs3)[C@@H]2C1 ZINC000283971230 531915669 /nfs/dbraw/zinc/91/56/69/531915669.db2.gz OVGMNKLYRBXSFE-GXFFZTMASA-N 1 0 386.315 1.679 20 0 GDADRO COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000283962239 531915732 /nfs/dbraw/zinc/91/57/32/531915732.db2.gz CBIFDWYQBHRVDC-RHSMWYFYSA-N 1 0 387.318 1.984 20 0 GDADRO O=S1(=O)CC[C@@H](C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000625797362 531915836 /nfs/dbraw/zinc/91/58/36/531915836.db2.gz UVJKTZWNYDIZRJ-LRDDRELGSA-N 1 0 388.327 1.693 20 0 GDADRO C[C@H](CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO)n1cc(Br)cn1 ZINC000648833213 531915898 /nfs/dbraw/zinc/91/58/98/531915898.db2.gz BUCBLIWWQMFFBM-HIFRSBDPSA-N 1 0 387.322 1.950 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419238668 531915980 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C[C@@H](C[NH3+])CNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419946415 531989255 /nfs/dbraw/zinc/98/92/55/531989255.db2.gz UTVKNKFNGKMCNA-LBPRGKRZSA-N 1 0 382.302 1.899 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419954961 531989357 /nfs/dbraw/zinc/98/93/57/531989357.db2.gz RUIINXRESROYRG-AWEZNQCLSA-N 1 0 398.301 1.545 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419946414 531990254 /nfs/dbraw/zinc/99/02/54/531990254.db2.gz UTVKNKFNGKMCNA-GFCCVEGCSA-N 1 0 382.302 1.899 20 0 GDADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000419960174 531991018 /nfs/dbraw/zinc/99/10/18/531991018.db2.gz VZRYGOFABZLJFO-CQSZACIVSA-N 1 0 396.285 1.428 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000420013080 531995632 /nfs/dbraw/zinc/99/56/32/531995632.db2.gz IRDOSXCHLIXWJJ-CZUORRHYSA-N 1 0 394.313 1.968 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 ZINC000370588081 531995788 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C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000423716057 532079091 /nfs/dbraw/zinc/07/90/91/532079091.db2.gz VTZNGHWJVONNLG-HNNXBMFYSA-N 1 0 396.329 1.908 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)C[C@H]1[NH3+] ZINC000423733162 532080233 /nfs/dbraw/zinc/08/02/33/532080233.db2.gz BLFWORNRWHYMTO-XNRPHZJLSA-N 1 0 394.313 1.646 20 0 GDADRO COC(=O)c1ccc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c(Br)c1 ZINC000602725910 532081675 /nfs/dbraw/zinc/08/16/75/532081675.db2.gz RDGCDEUFODUOOJ-CALCHBBNSA-N 1 0 395.253 1.720 20 0 GDADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000373477403 532083599 /nfs/dbraw/zinc/08/35/99/532083599.db2.gz ZZIQXAUWWQFAAL-KBPBESRZSA-N 1 0 393.285 1.998 20 0 GDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000470855197 532088475 /nfs/dbraw/zinc/08/84/75/532088475.db2.gz KFPYXLBROVSFJC-CYBMUJFWSA-N 1 0 398.301 1.962 20 0 GDADRO COc1cnc(NC[C@H](C)N2CC[NH+](C)CC2)c(I)c1 ZINC000603286506 532088849 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394.313 1.961 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc2nccnc2c1Br)[NH+](C)C ZINC000287317066 532208148 /nfs/dbraw/zinc/20/81/48/532208148.db2.gz DYHAHTBULMBEDY-SECBINFHSA-N 1 0 380.246 1.397 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C[C@@H]1[NH+](C)C ZINC000332732629 532208417 /nfs/dbraw/zinc/20/84/17/532208417.db2.gz UXEYCTGYFATCFX-WCQYABFASA-N 1 0 389.543 1.474 20 0 GDADRO CC1(C)OCc2cc(C[NH2+]CCS(=O)(=O)N3CCSCC3)ccc2O1 ZINC000274409918 532209214 /nfs/dbraw/zinc/20/92/14/532209214.db2.gz VDJQXMCJWUWCPW-UHFFFAOYSA-N 1 0 386.539 1.800 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000428570710 532211111 /nfs/dbraw/zinc/21/11/11/532211111.db2.gz IIEWEFBYYIPVME-UHFFFAOYSA-N 1 0 394.291 1.100 20 0 GDADRO Cc1cc(Br)oc1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428603745 532212821 /nfs/dbraw/zinc/21/28/21/532212821.db2.gz RQXNPTMTSZBDCW-LBPRGKRZSA-N 1 0 384.274 1.635 20 0 GDADRO C[N@H+](CCOc1cc(F)cc(Br)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428816078 532217037 /nfs/dbraw/zinc/21/70/37/532217037.db2.gz KOUOSLKIWGKVPI-CYBMUJFWSA-N 1 0 395.294 1.933 20 0 GDADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1nnnn1CC(F)(F)F ZINC000333068439 532217655 /nfs/dbraw/zinc/21/76/55/532217655.db2.gz OJRKUYIULQTXNV-WDEREUQCSA-N 1 0 378.424 1.413 20 0 GDADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000428840991 532218273 /nfs/dbraw/zinc/21/82/73/532218273.db2.gz BHDXWRCWOTUZDV-ZDUSSCGKSA-N 1 0 393.506 1.302 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)[C@H](C)C[NH2+]1 ZINC000332658748 532204412 /nfs/dbraw/zinc/20/44/12/532204412.db2.gz JXRQRZBDNFTUBU-NFAWXSAZSA-N 1 0 394.313 1.974 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC[C@H]1[NH3+] ZINC000332654409 532204558 /nfs/dbraw/zinc/20/45/58/532204558.db2.gz YYNGGSLNWDYRCE-XHDPSFHLSA-N 1 0 380.286 1.530 20 0 GDADRO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333279739 532227797 /nfs/dbraw/zinc/22/77/97/532227797.db2.gz JGQVSMKHEVCUMA-JMSVASOKSA-N 1 0 378.270 1.622 20 0 GDADRO O=C(NCCCn1cc(Br)cn1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000376771247 532227877 /nfs/dbraw/zinc/22/78/77/532227877.db2.gz GSOZGXRJHVUTTG-KGLIPLIRSA-N 1 0 386.294 1.198 20 0 GDADRO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000376778371 532228980 /nfs/dbraw/zinc/22/89/80/532228980.db2.gz OIURBIQRYIQRCI-LLVKDONJSA-N 1 0 382.288 1.801 20 0 GDADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)cc1Cl ZINC000429419727 532229040 /nfs/dbraw/zinc/22/90/40/532229040.db2.gz AOCKNTNWQPXZCO-ZDUSSCGKSA-N 1 0 390.937 1.788 20 0 GDADRO O=C(Nc1cc(N2CCOCC2)c(Br)cn1)N[C@H]1CCC[NH2+]C1 ZINC000333312911 532229123 /nfs/dbraw/zinc/22/91/23/532229123.db2.gz LXKPFZISOTYHFZ-NSHDSACASA-N 1 0 384.278 1.554 20 0 GDADRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[NH2+][C@H]3C)CC2)c(C)s1 ZINC000333321644 532229767 /nfs/dbraw/zinc/22/97/67/532229767.db2.gz UPJZCOLJAFFKGF-DZGCQCFKSA-N 1 0 385.555 1.586 20 0 GDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2nc3c(s2)CSCC3)C1 ZINC000376841828 532231248 /nfs/dbraw/zinc/23/12/48/532231248.db2.gz FAVDINQTBFRIGF-YPMHNXCESA-N 1 0 380.539 1.814 20 0 GDADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000429616094 532231737 /nfs/dbraw/zinc/23/17/37/532231737.db2.gz NQXRQGICNLJLNL-AWEZNQCLSA-N 1 0 389.543 1.214 20 0 GDADRO CC(C)C[NH+]1CCN(C(=O)c2c(I)cnn2C)CC1 ZINC000429823588 532235380 /nfs/dbraw/zinc/23/53/80/532235380.db2.gz AEIMNONFVRZZFD-UHFFFAOYSA-N 1 0 376.242 1.439 20 0 GDADRO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000429041693 532222067 /nfs/dbraw/zinc/22/20/67/532222067.db2.gz PQPBWXVRRPHMGT-DOMZBBRYSA-N 1 0 397.317 1.977 20 0 GDADRO O=S(=O)(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C1CCS(=O)(=O)CC1 ZINC000333177040 532223306 /nfs/dbraw/zinc/22/33/06/532223306.db2.gz RJWKVHFEDPMAQF-OAHLLOKOSA-N 1 0 378.560 1.280 20 0 GDADRO C[C@H]1CN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000429138792 532223946 /nfs/dbraw/zinc/22/39/46/532223946.db2.gz DKBBMQVFYPZMBD-SMDDNHRTSA-N 1 0 389.315 1.560 20 0 GDADRO C[C@@H]1CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC[C@H]1[NH3+] ZINC000429130288 532224075 /nfs/dbraw/zinc/22/40/75/532224075.db2.gz GWIIWFUJFUWAHZ-QMTHXVAHSA-N 1 0 394.269 1.631 20 0 GDADRO C[C@H]1CN(C(=O)CCN2c3ccc(Br)cc3OCC2=O)CC[C@H]1[NH3+] ZINC000429185681 532225024 /nfs/dbraw/zinc/22/50/24/532225024.db2.gz SHQMVERIGCVVIY-WCQYABFASA-N 1 0 396.285 1.760 20 0 GDADRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000429294636 532226438 /nfs/dbraw/zinc/22/64/38/532226438.db2.gz OQYBAHLKPSTBSI-MRXNPFEDSA-N 1 0 380.286 1.621 20 0 GDADRO COCC[C@]1(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[NH2+]C1 ZINC000429958557 532240202 /nfs/dbraw/zinc/24/02/02/532240202.db2.gz PRJTUJUAACDRTB-QGZVFWFLSA-N 1 0 398.301 1.910 20 0 GDADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cccc3c1OC(F)(F)O3)CCO2 ZINC000333584779 532241409 /nfs/dbraw/zinc/24/14/09/532241409.db2.gz AFGRWBZPRVXRLC-DOMZBBRYSA-N 1 0 375.393 1.834 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000333614532 532242082 /nfs/dbraw/zinc/24/20/82/532242082.db2.gz QZBOBJPRLARWRH-INIZCTEOSA-N 1 0 386.543 1.120 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000333634368 532243065 /nfs/dbraw/zinc/24/30/65/532243065.db2.gz HEDQOYIXTVSSBB-UGFHNGPFSA-N 1 0 395.301 1.630 20 0 GDADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000333634058 532243218 /nfs/dbraw/zinc/24/32/18/532243218.db2.gz WGJHZSCYYLZUKC-MGPQQGTHSA-N 1 0 386.543 1.470 20 0 GDADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000333679401 532245037 /nfs/dbraw/zinc/24/50/37/532245037.db2.gz ONUNCEJSEGGXJO-WCQYABFASA-N 1 0 396.289 1.566 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000333705641 532245576 /nfs/dbraw/zinc/24/55/76/532245576.db2.gz RLRBDGKCAUMVRB-ZIAGYGMSSA-N 1 0 381.274 1.384 20 0 GDADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000333725364 532246707 /nfs/dbraw/zinc/24/67/07/532246707.db2.gz VICJUWBLEZFZFU-OAHLLOKOSA-N 1 0 395.301 1.669 20 0 GDADRO O=C1[C@@H](N2CC[C@H]3OCC(=O)N[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000377222163 532249094 /nfs/dbraw/zinc/24/90/94/532249094.db2.gz GSMIKBHETLXUFE-QLFBSQMISA-N 1 0 384.263 1.688 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000333783512 532250091 /nfs/dbraw/zinc/25/00/91/532250091.db2.gz LGKNJJYKBPPOLF-ZIAGYGMSSA-N 1 0 386.543 1.152 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000333776615 532250128 /nfs/dbraw/zinc/25/01/28/532250128.db2.gz DAJGYDFVHRLMIH-GLQYFDAESA-N 1 0 395.301 1.772 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2nc(C)n(C)c2Br)C[C@@H]1[NH+](C)C ZINC000287940335 532252862 /nfs/dbraw/zinc/25/28/62/532252862.db2.gz VVQZHVSQSFNBCY-UWVGGRQHSA-N 1 0 397.364 1.157 20 0 GDADRO COCC[C@]1(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC[NH2+]C1 ZINC000429887229 532237985 /nfs/dbraw/zinc/23/79/85/532237985.db2.gz HRGNQNXOCFTZRS-QGZVFWFLSA-N 1 0 399.285 1.853 20 0 GDADRO C[C@H](NC(=O)CN(C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000430646413 532254516 /nfs/dbraw/zinc/25/45/16/532254516.db2.gz PGWPKOATZDHLAU-LBPRGKRZSA-N 1 0 387.311 1.534 20 0 GDADRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430731026 532255858 /nfs/dbraw/zinc/25/58/58/532255858.db2.gz KUJNXRXKODHOLF-VUPYVKPUSA-N 1 0 397.360 1.904 20 0 GDADRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430734416 532256007 /nfs/dbraw/zinc/25/60/07/532256007.db2.gz VQNMUSUYQJGMJY-XPTSAGLGSA-N 1 0 377.304 1.908 20 0 GDADRO C[C@H]([NH2+]C[C@H](O)[C@H]1CCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430717688 532256420 /nfs/dbraw/zinc/25/64/20/532256420.db2.gz ZNNWUKSUCXPSAF-GAFUQQFSSA-N 1 0 393.303 1.145 20 0 GDADRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC[C@H]1[NH3+] ZINC000430923330 532256863 /nfs/dbraw/zinc/25/68/63/532256863.db2.gz CXMLGZJIUBUZIX-SMDDNHRTSA-N 1 0 388.921 1.198 20 0 GDADRO C[C@@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000430939715 532258489 /nfs/dbraw/zinc/25/84/89/532258489.db2.gz MCTNKGCRRVIGHF-YPMHNXCESA-N 1 0 383.290 1.173 20 0 GDADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CCOC2(C[NH2+]C2)C1 ZINC000333940298 532259137 /nfs/dbraw/zinc/25/91/37/532259137.db2.gz NXXCJBKHAIPYAT-CYBMUJFWSA-N 1 0 382.258 1.657 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)C[C@@H]1[NH+]1CCCC1 ZINC000275080037 532262333 /nfs/dbraw/zinc/26/23/33/532262333.db2.gz DXOLRLKERWYWCS-GXTWGEPZSA-N 1 0 387.527 1.182 20 0 GDADRO CC[N@@H+]1CC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)C1 ZINC000334112638 532264219 /nfs/dbraw/zinc/26/42/19/532264219.db2.gz DHOYXKOBTUUUOY-WFASDCNBSA-N 1 0 395.301 1.726 20 0 GDADRO CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000334117904 532264244 /nfs/dbraw/zinc/26/42/44/532264244.db2.gz ITKNBDAJXOXSRP-SNVBAGLBSA-N 1 0 378.424 1.483 20 0 GDADRO CC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000334117903 532264374 /nfs/dbraw/zinc/26/43/74/532264374.db2.gz ITKNBDAJXOXSRP-JTQLQIEISA-N 1 0 378.424 1.483 20 0 GDADRO [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)C3CCCC3)sc2C1 ZINC000377587617 532264552 /nfs/dbraw/zinc/26/45/52/532264552.db2.gz MPWNCMROSZTEOR-WCQYABFASA-N 1 0 380.539 1.989 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cncc(I)c1 ZINC000431388332 532264601 /nfs/dbraw/zinc/26/46/01/532264601.db2.gz LTBZVJPMHBCFLD-CYBMUJFWSA-N 1 0 377.226 1.119 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc1Br ZINC000275131866 532268183 /nfs/dbraw/zinc/26/81/83/532268183.db2.gz LGMNUGTYKFILOZ-SECBINFHSA-N 1 0 388.262 1.471 20 0 GDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CSc2nncs2)CC1 ZINC000431546291 532268610 /nfs/dbraw/zinc/26/86/10/532268610.db2.gz PBURTDFDPGCABD-UHFFFAOYSA-N 1 0 385.559 1.373 20 0 GDADRO Cn1cc(Br)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000432053132 532277563 /nfs/dbraw/zinc/27/75/63/532277563.db2.gz OAAWWFAIIRKVEV-UHFFFAOYSA-N 1 0 379.262 1.582 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1Br ZINC000275338245 532287858 /nfs/dbraw/zinc/28/78/58/532287858.db2.gz QNEDLRAGDUQKHR-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)C(C)(C)n1cncn1 ZINC000377808339 532274316 /nfs/dbraw/zinc/27/43/16/532274316.db2.gz XQCWJYNCFIVMPZ-ZIAGYGMSSA-N 1 0 383.543 1.764 20 0 GDADRO COc1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)nc1Br ZINC000378615978 532293180 /nfs/dbraw/zinc/29/31/80/532293180.db2.gz NGJPRBMJLOTVTI-LBPRGKRZSA-N 1 0 397.317 1.751 20 0 GDADRO C[C@@H](NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)c1ccc(Br)cn1 ZINC000288532170 532295514 /nfs/dbraw/zinc/29/55/14/532295514.db2.gz IQXLCYJOKYJQHO-GFCCVEGCSA-N 1 0 397.317 1.964 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000386382182 532295711 /nfs/dbraw/zinc/29/57/11/532295711.db2.gz IKLUWJFWFLLEIM-UHFFFAOYSA-N 1 0 392.319 1.031 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000288554290 532296660 /nfs/dbraw/zinc/29/66/60/532296660.db2.gz GFLDDXXYBVTSKO-AAEUAGOBSA-N 1 0 387.230 1.060 20 0 GDADRO 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/nfs/dbraw/zinc/30/12/69/532301269.db2.gz JNSTVAQNPVTYMF-GFCCVEGCSA-N 1 0 385.249 1.411 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000288717144 532304509 /nfs/dbraw/zinc/30/45/09/532304509.db2.gz FHGJKWUFWPDEGY-UHFFFAOYSA-N 1 0 385.306 1.387 20 0 GDADRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC000400295756 532304785 /nfs/dbraw/zinc/30/47/85/532304785.db2.gz ZFZHQKRLKFNQPA-GFCCVEGCSA-N 1 0 380.251 1.415 20 0 GDADRO O=C(CNC(=O)NCC[N@@H+]1CCCOCC1)Nc1ccc(Br)cc1 ZINC000275689477 532306470 /nfs/dbraw/zinc/30/64/70/532306470.db2.gz RDLVHMAPOHWJIK-UHFFFAOYSA-N 1 0 399.289 1.409 20 0 GDADRO O=C(c1csc(I)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405201502 532306857 /nfs/dbraw/zinc/30/68/57/532306857.db2.gz AXFNDJLSJFLRKU-VHSXEESVSA-N 1 0 378.235 1.244 20 0 GDADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405416409 532307041 /nfs/dbraw/zinc/30/70/41/532307041.db2.gz WGDLEIMZOAPMDT-LSDHHAIUSA-N 1 0 379.254 1.502 20 0 GDADRO 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GYNWDEWWHZONHN-UHFFFAOYSA-N 1 0 392.543 1.817 20 0 GDADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)nc1 ZINC000289527496 532327095 /nfs/dbraw/zinc/32/70/95/532327095.db2.gz AAGCHIJSBCDUBD-ZFWWWQNUSA-N 1 0 397.317 1.428 20 0 GDADRO CN1CCO[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1 ZINC000289602533 532329263 /nfs/dbraw/zinc/32/92/63/532329263.db2.gz DPKBARABBCDBOW-CYBMUJFWSA-N 1 0 382.467 1.213 20 0 GDADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000289610313 532329565 /nfs/dbraw/zinc/32/95/65/532329565.db2.gz AQQRYJKPZYYLGO-JSGCOSHPSA-N 1 0 384.274 1.425 20 0 GDADRO O=C(COc1ccc(I)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289807337 532332734 /nfs/dbraw/zinc/33/27/34/532332734.db2.gz PFALFYFMSRPVKG-VXGBXAGGSA-N 1 0 386.233 1.738 20 0 GDADRO C[N@H+](CCn1cc(Br)cn1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289839530 532332772 /nfs/dbraw/zinc/33/27/72/532332772.db2.gz PTSFDSRETZGBDK-HNNXBMFYSA-N 1 0 391.310 1.853 20 0 GDADRO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289871057 532333261 /nfs/dbraw/zinc/33/32/61/532333261.db2.gz SCVMOFBLQYVWPY-BFHYXJOUSA-N 1 0 392.297 1.870 20 0 GDADRO NC(=O)c1csc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000289964666 532334817 /nfs/dbraw/zinc/33/48/17/532334817.db2.gz CTFZGQPUVNCBOV-GFCCVEGCSA-N 1 0 385.536 1.851 20 0 GDADRO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000359977599 212128726 /nfs/dbraw/zinc/12/87/26/212128726.db2.gz XHRQQIBYWNSBKG-IXDOHACOSA-N 1 0 388.578 1.466 20 0 GDADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000359959552 212128175 /nfs/dbraw/zinc/12/81/75/212128175.db2.gz MKKLTMSDJXAFGA-MOPGFXCFSA-N 1 0 395.569 1.153 20 0 GDADRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)CC1(C)C ZINC000359864785 212120844 /nfs/dbraw/zinc/12/08/44/212120844.db2.gz CIUHMHWBHMTAQA-HOCLYGCPSA-N 1 0 392.496 1.882 20 0 GDADRO C[C@@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000071954238 222200118 /nfs/dbraw/zinc/20/01/18/222200118.db2.gz CTZPRGOVJVOORD-IRXDYDNUSA-N 1 0 395.573 1.550 20 0 GDADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000735734792 598827010 /nfs/dbraw/zinc/82/70/10/598827010.db2.gz OLAQWFCPNMXDGO-RKVPGOIHSA-N 1 0 384.484 1.965 20 0 GDADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736290903 598834671 /nfs/dbraw/zinc/83/46/71/598834671.db2.gz CXJJDOUQXIIMED-WCQYABFASA-N 1 0 375.864 1.627 20 0 GDADRO CC[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736321272 598834721 /nfs/dbraw/zinc/83/47/21/598834721.db2.gz AEDPAVJDEGMIJZ-CQSZACIVSA-N 1 0 380.518 1.606 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000737034177 598841602 /nfs/dbraw/zinc/84/16/02/598841602.db2.gz XLFGPPVBSBAYCN-CQSZACIVSA-N 1 0 388.472 1.444 20 0 GDADRO CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736502136 598895650 /nfs/dbraw/zinc/89/56/50/598895650.db2.gz KNSBHPWAVODJKZ-RHSMWYFYSA-N 1 0 399.499 1.186 20 0 GDADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[C@H](C[NH+](C)C)C1 ZINC000735570247 598916208 /nfs/dbraw/zinc/91/62/08/598916208.db2.gz LVTALOHKYWAUSB-NWDGAFQWSA-N 1 0 389.529 1.627 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000737297300 598951654 /nfs/dbraw/zinc/95/16/54/598951654.db2.gz HEZWHBCLYAYVLP-ZIAGYGMSSA-N 1 0 378.502 1.716 20 0 GDADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)CC1 ZINC000736479249 598952401 /nfs/dbraw/zinc/95/24/01/598952401.db2.gz FYHOHTCMMUQJAT-UHFFFAOYSA-N 1 0 378.502 1.670 20 0 GDADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000738435793 598959552 /nfs/dbraw/zinc/95/95/52/598959552.db2.gz ABABRBAVTZDUGA-CQSZACIVSA-N 1 0 380.456 1.865 20 0 GDADRO O=C(NCCSCc1ccccc1-c1nn[nH]n1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000738086426 598973589 /nfs/dbraw/zinc/97/35/89/598973589.db2.gz YQWIDIPJFRADAT-AWEZNQCLSA-N 1 0 387.513 1.636 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=S)Nc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736858528 598977844 /nfs/dbraw/zinc/97/78/44/598977844.db2.gz SMTXLFMDTOHPPS-CQSZACIVSA-N 1 0 386.529 1.275 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCON=C(N)C[N@@H+]1CCCC[C@@H]1C ZINC000737032406 598979193 /nfs/dbraw/zinc/97/91/93/598979193.db2.gz KWNWKOOWMHKYQU-ZDUSSCGKSA-N 1 0 389.460 1.627 20 0 GDADRO CCCNC(=O)C1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000736481934 598980697 /nfs/dbraw/zinc/98/06/97/598980697.db2.gz SOEUJYUAIDYMIQ-UHFFFAOYSA-N 1 0 388.472 1.492 20 0 GDADRO CCOC(=O)CC1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000736592048 598982869 /nfs/dbraw/zinc/98/28/69/598982869.db2.gz KWCAQLOXNATOHD-UHFFFAOYSA-N 1 0 389.456 1.919 20 0 GDADRO CCc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)on1 ZINC000736677380 599060429 /nfs/dbraw/zinc/06/04/29/599060429.db2.gz YVFBQYPUYKSJEX-UHFFFAOYSA-N 1 0 398.471 1.691 20 0 GDADRO Cc1nnc(NCc2ccccc2C[NH+]2CCC(O)CC2)c(-c2nn[nH]n2)c1C ZINC000822515391 599084271 /nfs/dbraw/zinc/08/42/71/599084271.db2.gz LYILAPJTFAGRKW-UHFFFAOYSA-N 1 0 394.483 1.842 20 0 GDADRO C[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccccc21 ZINC000736026115 599088447 /nfs/dbraw/zinc/08/84/47/599088447.db2.gz QNBHOUIANQXWRA-UGSOOPFHSA-N 1 0 377.452 1.434 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000737033875 599091047 /nfs/dbraw/zinc/09/10/47/599091047.db2.gz VJQBJWKBNYPYEC-HNNXBMFYSA-N 1 0 388.472 1.587 20 0 GDADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736535569 599123490 /nfs/dbraw/zinc/12/34/90/599123490.db2.gz YVRBABSDUXXSFH-UHFFFAOYSA-N 1 0 378.502 1.609 20 0 GDADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000738163633 599148928 /nfs/dbraw/zinc/14/89/28/599148928.db2.gz RLQORGDBMKXIBP-HUUCEWRRSA-N 1 0 375.408 1.069 20 0 GDADRO NC(=O)[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730779 599182135 /nfs/dbraw/zinc/18/21/35/599182135.db2.gz LGDXPLKKZBALRE-WMZOPIPTSA-N 1 0 395.442 1.791 20 0 GDADRO C[NH+](C)CC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000736758901 599183058 /nfs/dbraw/zinc/18/30/58/599183058.db2.gz KDHGNNONVCSLFR-OAHLLOKOSA-N 1 0 387.488 1.079 20 0 GDADRO CCN(C)C(=O)CC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000821160581 607260467 /nfs/dbraw/zinc/26/04/67/607260467.db2.gz NAKAMYVSMHKGFR-UHFFFAOYSA-N 1 0 394.483 1.405 20 0 GDADRO CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000736407101 599240718 /nfs/dbraw/zinc/24/07/18/599240718.db2.gz FATCGTKKYRPERT-YOEHRIQHSA-N 1 0 387.488 1.680 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC000821241156 607277544 /nfs/dbraw/zinc/27/75/44/607277544.db2.gz KHKBWDPOCOLMCZ-UHFFFAOYSA-N 1 0 385.472 1.352 20 0 GDADRO 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CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735462413 599290607 /nfs/dbraw/zinc/29/06/07/599290607.db2.gz XWNLXSKGTMJOGH-MRXNPFEDSA-N 1 0 382.428 1.181 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000820709789 607333477 /nfs/dbraw/zinc/33/34/77/607333477.db2.gz MBQGSDMJPUGCGM-NEPJUHHUSA-N 1 0 389.435 1.181 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F)C[NH+]1CCCCC1 ZINC000820262821 607335853 /nfs/dbraw/zinc/33/58/53/607335853.db2.gz ZULJODYBJBXNLF-GFCCVEGCSA-N 1 0 389.435 1.183 20 0 GDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820709645 607335947 /nfs/dbraw/zinc/33/59/47/607335947.db2.gz KNIMLIZQUMXXRL-RYUDHWBXSA-N 1 0 389.435 1.181 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)CNc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737158298 598240436 /nfs/dbraw/zinc/24/04/36/598240436.db2.gz DUXPANIQZMEVNL-UHFFFAOYSA-N 1 0 394.439 1.031 20 0 GDADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCCC1 ZINC000736801490 598241471 /nfs/dbraw/zinc/24/14/71/598241471.db2.gz WUPDUKGJXXAOFF-UHFFFAOYSA-N 1 0 391.863 1.449 20 0 GDADRO O=C(COc1ccccc1-c1nn[nH]n1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000737925182 598241872 /nfs/dbraw/zinc/24/18/72/598241872.db2.gz OZLHLCYNOBJMJO-UHFFFAOYSA-N 1 0 386.456 1.007 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000736988148 598254395 /nfs/dbraw/zinc/25/43/95/598254395.db2.gz PYZIRNOWCOWAHA-LBPRGKRZSA-N 1 0 375.477 1.602 20 0 GDADRO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736569382 598269252 /nfs/dbraw/zinc/26/92/52/598269252.db2.gz HIVZWLIJLCALIT-INIZCTEOSA-N 1 0 399.499 1.904 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC000736995234 598274225 /nfs/dbraw/zinc/27/42/25/598274225.db2.gz PKZTXMNTYWBKMI-KRWDZBQOSA-N 1 0 390.488 1.307 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736989314 598278139 /nfs/dbraw/zinc/27/81/39/598278139.db2.gz ZUNFRZCYQLUUAX-UHFFFAOYSA-N 1 0 378.481 1.513 20 0 GDADRO CC(C)(C)OC(=O)N1CCN(CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735632960 598285375 /nfs/dbraw/zinc/28/53/75/598285375.db2.gz JXWAMRCDJIGASY-UHFFFAOYSA-N 1 0 387.488 1.509 20 0 GDADRO O=C1[C@@H]([N@@H+]2CCC[C@@H](n3ccnc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292194 598341994 /nfs/dbraw/zinc/34/19/94/598341994.db2.gz YEEAJBQSPIHHEM-SJORKVTESA-N 1 0 378.440 1.506 20 0 GDADRO CC[C@@H]1CN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC[N@@H+]1CCOC ZINC000736413066 598366765 /nfs/dbraw/zinc/36/67/65/598366765.db2.gz WMJZEQWBCUFTKM-AEFFLSMTSA-N 1 0 399.499 1.015 20 0 GDADRO Cc1nc(C)n([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)n1 ZINC000737472927 598368155 /nfs/dbraw/zinc/36/81/55/598368155.db2.gz BXZIDPIXRQPWEC-OAHLLOKOSA-N 1 0 395.471 1.741 20 0 GDADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000736769377 598384348 /nfs/dbraw/zinc/38/43/48/598384348.db2.gz QOKNNRAYZBSTME-UHFFFAOYSA-N 1 0 379.468 1.869 20 0 GDADRO CCN(CC[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)C(=O)OC(C)(C)C ZINC000736536092 598397256 /nfs/dbraw/zinc/39/72/56/598397256.db2.gz BTSMDDLEPPUQPP-UHFFFAOYSA-N 1 0 387.448 1.256 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000736761001 598398662 /nfs/dbraw/zinc/39/86/62/598398662.db2.gz SJXCPYIWURGHET-CQSZACIVSA-N 1 0 399.480 1.077 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736762536 598398678 /nfs/dbraw/zinc/39/86/78/598398678.db2.gz ISHGPXIAZSAZHX-KRWDZBQOSA-N 1 0 393.451 1.016 20 0 GDADRO C[NH+](C)C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736762539 598398787 /nfs/dbraw/zinc/39/87/87/598398787.db2.gz ISHGPXIAZSAZHX-QGZVFWFLSA-N 1 0 393.451 1.016 20 0 GDADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265617 598402650 /nfs/dbraw/zinc/40/26/50/598402650.db2.gz JQTYLJPWVQNNPE-OAHLLOKOSA-N 1 0 399.499 1.225 20 0 GDADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738048049 598465292 /nfs/dbraw/zinc/46/52/92/598465292.db2.gz CYWMRNJUOMWHFL-MRXNPFEDSA-N 1 0 377.452 1.556 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000737005540 598466100 /nfs/dbraw/zinc/46/61/00/598466100.db2.gz BXBWCEQVYFQQPT-OAHLLOKOSA-N 1 0 392.463 1.984 20 0 GDADRO CC(C)(C)n1cc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cn1 ZINC000735662317 598466266 /nfs/dbraw/zinc/46/62/66/598466266.db2.gz UYQNYTYFEIWEGJ-UHFFFAOYSA-N 1 0 381.488 1.972 20 0 GDADRO c1nn2cc(C[NH2+]Cc3ccc4c(c3)OCCCO4)cnc2c1-c1nn[nH]n1 ZINC000738421310 598469017 /nfs/dbraw/zinc/46/90/17/598469017.db2.gz RCQSKPBNLXXTEK-UHFFFAOYSA-N 1 0 378.396 1.361 20 0 GDADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736247424 598510467 /nfs/dbraw/zinc/51/04/67/598510467.db2.gz CTIISVKQYRPBIH-ZIAGYGMSSA-N 1 0 378.502 1.549 20 0 GDADRO CN(C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(F)c1 ZINC000736760118 598517857 /nfs/dbraw/zinc/51/78/57/598517857.db2.gz PKBMVKKPDFHFLH-BLLLJJGKSA-N 1 0 385.451 1.137 20 0 GDADRO c1coc([C@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N2CCCCC2)c1 ZINC000738449077 598518190 /nfs/dbraw/zinc/51/81/90/598518190.db2.gz SDDXXAFQLBPETQ-HOCLYGCPSA-N 1 0 397.487 1.515 20 0 GDADRO CC(C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCCCCC1 ZINC000735710426 598521432 /nfs/dbraw/zinc/52/14/32/598521432.db2.gz TWTKYCUDWXIIIM-RDJZCZTQSA-N 1 0 387.536 1.595 20 0 GDADRO COc1cc2c(cc1C[NH2+]C[C@@H]1CNc3c(-c4nn[nH]n4)cnn3C1)O[C@@H](C)C2 ZINC000737055269 598521779 /nfs/dbraw/zinc/52/17/79/598521779.db2.gz LTBBKEXENFUQGA-NWDGAFQWSA-N 1 0 396.455 1.227 20 0 GDADRO c1cnn(-c2ccc(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cc2)c1 ZINC000738447877 598523863 /nfs/dbraw/zinc/52/38/63/598523863.db2.gz JVAJNLLSXAQNMO-AWEZNQCLSA-N 1 0 376.428 1.080 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)C2 ZINC000738429217 598526763 /nfs/dbraw/zinc/52/67/63/598526763.db2.gz VWNJGZISPCRITR-ZVZYQTTQSA-N 1 0 394.483 1.862 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCCc1nc3ccccc3[nH]1)C2 ZINC000738433958 598527014 /nfs/dbraw/zinc/52/70/14/598527014.db2.gz XFHWRRBVLCACHU-LBPRGKRZSA-N 1 0 378.444 1.204 20 0 GDADRO c1csc([C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2)n1 ZINC000738425008 598528414 /nfs/dbraw/zinc/52/84/14/598528414.db2.gz JJHGUUHBRHDUIV-SWLSCSKDSA-N 1 0 393.480 1.941 20 0 GDADRO CC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nnc2n1CCCCC2 ZINC000736369159 598529272 /nfs/dbraw/zinc/52/92/72/598529272.db2.gz GJYNQXKAPRQFKR-GXTWGEPZSA-N 1 0 397.491 1.164 20 0 GDADRO Cc1ccc([C@H](C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)N2CCCC2)o1 ZINC000737320435 598529492 /nfs/dbraw/zinc/52/94/92/598529492.db2.gz QXVZULONOAPPJF-HOCLYGCPSA-N 1 0 397.487 1.433 20 0 GDADRO Cc1nc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)nc2ccccc12 ZINC000737477411 598529603 /nfs/dbraw/zinc/52/96/03/598529603.db2.gz LSLSZYLRSDVQIX-GFCCVEGCSA-N 1 0 376.428 1.146 20 0 GDADRO CC(C)COc1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735845584 598531624 /nfs/dbraw/zinc/53/16/24/598531624.db2.gz YOVYLINXBCJWNQ-INIZCTEOSA-N 1 0 396.499 1.972 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC([NH+](C)C)CC1 ZINC000819867048 607361833 /nfs/dbraw/zinc/36/18/33/607361833.db2.gz QKBITOQAVUKECO-NSHDSACASA-N 1 0 377.880 1.873 20 0 GDADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736266912 598594841 /nfs/dbraw/zinc/59/48/41/598594841.db2.gz KXZITGUDEUWOJW-YJBOKZPZSA-N 1 0 383.500 1.826 20 0 GDADRO C[NH+](C)[C@H]1CCCN(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736757718 598621631 /nfs/dbraw/zinc/62/16/31/598621631.db2.gz XDIYKLPIIAKCLI-LBPRGKRZSA-N 1 0 389.529 1.772 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736757064 598621818 /nfs/dbraw/zinc/62/18/18/598621818.db2.gz NSZYTGWYVQZFJK-CYBMUJFWSA-N 1 0 377.880 1.875 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000736268014 598636911 /nfs/dbraw/zinc/63/69/11/598636911.db2.gz WCTFCHBXEWZGKB-NWDGAFQWSA-N 1 0 389.435 1.181 20 0 GDADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC000735709175 598637995 /nfs/dbraw/zinc/63/79/95/598637995.db2.gz PUUXHYAVELFYCK-HNNXBMFYSA-N 1 0 389.435 1.181 20 0 GDADRO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736759194 598640373 /nfs/dbraw/zinc/64/03/73/598640373.db2.gz PNNGEYPBJUJCCA-UHFFFAOYSA-N 1 0 391.451 1.573 20 0 GDADRO Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N(C)CC[NH+]1CCCC1 ZINC000737488841 598670721 /nfs/dbraw/zinc/67/07/21/598670721.db2.gz YGBDVFKFTWGFDA-UHFFFAOYSA-N 1 0 397.487 1.013 20 0 GDADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000735733205 598696819 /nfs/dbraw/zinc/69/68/19/598696819.db2.gz DZUKNSLSEFLBNY-MAUKXSAKSA-N 1 0 384.484 1.965 20 0 GDADRO CCOCC[NH+]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000736624465 598698265 /nfs/dbraw/zinc/69/82/65/598698265.db2.gz YUBWHTTXDBXZHO-UHFFFAOYSA-N 1 0 382.472 1.342 20 0 GDADRO CC[C@H]1CCCN(C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C1 ZINC000736402166 598712220 /nfs/dbraw/zinc/71/22/20/598712220.db2.gz LRQQQYMCSPJROU-LSDHHAIUSA-N 1 0 387.536 1.595 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000737287225 598761973 /nfs/dbraw/zinc/76/19/73/598761973.db2.gz CZXAOYNKOVGMCU-JKSUJKDBSA-N 1 0 383.456 1.199 20 0 GDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736853687 598769239 /nfs/dbraw/zinc/76/92/39/598769239.db2.gz ZMCMKCBOOOOEFZ-MWWKQMNYSA-N 1 0 381.484 1.165 20 0 GDADRO C[NH+](C)C[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000736758993 598772763 /nfs/dbraw/zinc/77/27/63/598772763.db2.gz MCIOGQJQUMQTBK-LLVKDONJSA-N 1 0 375.383 1.460 20 0 GDADRO C[NH+](C)CCNC(=S)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736769896 598788910 /nfs/dbraw/zinc/78/89/10/598788910.db2.gz WHMKXVTYRDCYAH-UHFFFAOYSA-N 1 0 375.502 1.146 20 0 GDADRO Cn1cc(C(=O)NCC2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)cn1 ZINC000737601223 598813165 /nfs/dbraw/zinc/81/31/65/598813165.db2.gz AQCUGYZIMKQRIW-UHFFFAOYSA-N 1 0 398.446 1.381 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736568324 598813938 /nfs/dbraw/zinc/81/39/38/598813938.db2.gz AIOLEAFQSDTQPI-SFHVURJKSA-N 1 0 383.500 1.385 20 0 GDADRO CC(C)[C@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[NH+]1CCCCC1 ZINC000735690110 598817976 /nfs/dbraw/zinc/81/79/76/598817976.db2.gz HBLYNSAOZVWEPQ-GOSISDBHSA-N 1 0 398.515 1.421 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736406129 599300654 /nfs/dbraw/zinc/30/06/54/599300654.db2.gz JKBYOUTZSVBYQF-DOTOQJQBSA-N 1 0 392.529 1.795 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000737263090 599320167 /nfs/dbraw/zinc/32/01/67/599320167.db2.gz KNFLDRFIABVKLS-DLBZAZTESA-N 1 0 397.458 1.898 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000820753366 599347004 /nfs/dbraw/zinc/34/70/04/599347004.db2.gz YJXIHOBZVYCXPH-GWCFXTLKSA-N 1 0 384.893 1.481 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821189239 599371755 /nfs/dbraw/zinc/37/17/55/599371755.db2.gz JORRQUOOWYVPET-LBPRGKRZSA-N 1 0 398.920 1.873 20 0 GDADRO NC(C[NH+]1CCCCCC1)=NOCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822890561 599385921 /nfs/dbraw/zinc/38/59/21/599385921.db2.gz XDNHYMYPHFSIRO-UHFFFAOYSA-N 1 0 397.443 1.791 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000822267543 607376925 /nfs/dbraw/zinc/37/69/25/607376925.db2.gz ZRYPPDPGJDPDMN-GFCCVEGCSA-N 1 0 392.510 1.866 20 0 GDADRO CCc1nc(CN2CCC[C@@H]([NH2+]Cc3ccc(OC)c(-c4nn[nH]n4)c3)C2)no1 ZINC000821509908 599430806 /nfs/dbraw/zinc/43/08/06/599430806.db2.gz PECBACDJWYITJU-CQSZACIVSA-N 1 0 398.471 1.575 20 0 GDADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000736815024 599454109 /nfs/dbraw/zinc/45/41/09/599454109.db2.gz UNEMMZYQTKZMCP-INIZCTEOSA-N 1 0 399.499 1.509 20 0 GDADRO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)CC2 ZINC000735952672 599488611 /nfs/dbraw/zinc/48/86/11/599488611.db2.gz KIMGKMSOFSJLMR-ZDUSSCGKSA-N 1 0 378.444 1.334 20 0 GDADRO O=C(NCCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccc(O)c1 ZINC000738064794 599489219 /nfs/dbraw/zinc/48/92/19/599489219.db2.gz FIDUWFRSGJDTMT-UHFFFAOYSA-N 1 0 392.423 1.130 20 0 GDADRO C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110392 599501028 /nfs/dbraw/zinc/50/10/28/599501028.db2.gz BBZSUCKJQHBWOY-HNNXBMFYSA-N 1 0 399.499 1.682 20 0 GDADRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21 ZINC000820260590 599543524 /nfs/dbraw/zinc/54/35/24/599543524.db2.gz JDNJCMBSYCCLIZ-LBPRGKRZSA-N 1 0 386.891 1.538 20 0 GDADRO C[C@@H]([NH2+]C(C)(C)CO)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736129671 599559657 /nfs/dbraw/zinc/55/96/57/599559657.db2.gz DUPZXWGOQSURCI-SNVBAGLBSA-N 1 0 378.502 1.885 20 0 GDADRO C[C@H](CNc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000820276753 599565730 /nfs/dbraw/zinc/56/57/30/599565730.db2.gz YHWPIXAAEAYQRH-GFCCVEGCSA-N 1 0 387.875 1.870 20 0 GDADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)o2)c1 ZINC000823738710 599573238 /nfs/dbraw/zinc/57/32/38/599573238.db2.gz ZFKNKNARMHOCQJ-CQSZACIVSA-N 1 0 383.412 1.502 20 0 GDADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000735562723 599585610 /nfs/dbraw/zinc/58/56/10/599585610.db2.gz QQPXUJDQPLVEFR-CVEARBPZSA-N 1 0 399.499 1.380 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821188578 599590184 /nfs/dbraw/zinc/59/01/84/599590184.db2.gz AKJLLLIZLWAFPT-CYBMUJFWSA-N 1 0 377.518 1.921 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1-c1nn[nH]n1 ZINC000822319177 599606542 /nfs/dbraw/zinc/60/65/42/599606542.db2.gz LKJUFAQXYXSWNX-ZIAGYGMSSA-N 1 0 385.472 1.493 20 0 GDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)C1 ZINC000821180987 599616049 /nfs/dbraw/zinc/61/60/49/599616049.db2.gz IJXANUBLZHJOFP-AWEZNQCLSA-N 1 0 385.472 1.304 20 0 GDADRO C[N@H+](CCNC(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000821602434 599673373 /nfs/dbraw/zinc/67/33/73/599673373.db2.gz BLBJXHVKJZKWGA-UHFFFAOYSA-N 1 0 387.488 1.809 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC[N@@H+]1C ZINC000820659470 599674083 /nfs/dbraw/zinc/67/40/83/599674083.db2.gz XVSZWYMDHGNWAU-BBRMVZONSA-N 1 0 399.503 1.012 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000546958640 599731764 /nfs/dbraw/zinc/73/17/64/599731764.db2.gz TURAZIBBWLLYRA-QGZVFWFLSA-N 1 0 397.541 1.730 20 0 GDADRO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000736206148 599849953 /nfs/dbraw/zinc/84/99/53/599849953.db2.gz TVAMBLVNWDNMEE-MRXNPFEDSA-N 1 0 381.517 1.132 20 0 GDADRO CC(=O)N1CCCN([C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2C)CC1 ZINC000819796281 607443892 /nfs/dbraw/zinc/44/38/92/607443892.db2.gz DARILDFCDFBOJH-XJKSGUPXSA-N 1 0 389.529 1.303 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)COc1ccccc1O ZINC000821586291 607446444 /nfs/dbraw/zinc/44/64/44/607446444.db2.gz RLIGLHMXHZVPNW-UHFFFAOYSA-N 1 0 396.451 1.542 20 0 GDADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000819867967 607448907 /nfs/dbraw/zinc/44/89/07/607448907.db2.gz VYPFJVGCKGWPDA-YPMHNXCESA-N 1 0 375.864 1.627 20 0 GDADRO C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000830604990 600738211 /nfs/dbraw/zinc/73/82/11/600738211.db2.gz XZUZPQIQFWDQIR-UHFFFAOYSA-N 1 0 377.894 1.152 20 0 GDADRO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000823715851 607483132 /nfs/dbraw/zinc/48/31/32/607483132.db2.gz XEWSYSSNQWSQRQ-UYAOXDASSA-N 1 0 396.470 1.978 20 0 GDADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821635099 607483489 /nfs/dbraw/zinc/48/34/89/607483489.db2.gz MHTYNARTOLXESL-SFHVURJKSA-N 1 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COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000826181919 607525693 /nfs/dbraw/zinc/52/56/93/607525693.db2.gz SGOVEEQCFXPIEZ-INIZCTEOSA-N 1 0 380.456 1.766 20 0 GDADRO O=C([O-])N[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000740687233 601943171 /nfs/dbraw/zinc/94/31/71/601943171.db2.gz OIUWOWKJEJIABC-LJQANCHMSA-N 1 0 397.479 1.719 20 0 GDADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000825859618 607549362 /nfs/dbraw/zinc/54/93/62/607549362.db2.gz IBDXEGTZFPCFSL-UHFFFAOYSA-N 1 0 382.465 1.405 20 0 GDADRO COc1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1-c1nn[nH]n1 ZINC000826199434 607557981 /nfs/dbraw/zinc/55/79/81/607557981.db2.gz YPKGWWQRTJBXRM-ZIAGYGMSSA-N 1 0 387.488 1.937 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cnn2c1CCCC2 ZINC000825865843 607565683 /nfs/dbraw/zinc/56/56/83/607565683.db2.gz MYMKVZPGPOLRGN-UHFFFAOYSA-N 1 0 394.483 1.604 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826302705 607588644 /nfs/dbraw/zinc/58/86/44/607588644.db2.gz QOQTUPOEVBWKFU-TZMCWYRMSA-N 1 0 378.502 1.574 20 0 GDADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000824255649 607594909 /nfs/dbraw/zinc/59/49/09/607594909.db2.gz RPUSAHUVARZIJF-UHFFFAOYSA-N 1 0 378.502 1.608 20 0 GDADRO O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000826495803 607598235 /nfs/dbraw/zinc/59/82/35/607598235.db2.gz BWUVJJOEGGBQIH-UHFFFAOYSA-N 1 0 390.513 1.753 20 0 GDADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000825285466 607601452 /nfs/dbraw/zinc/60/14/52/607601452.db2.gz XCCJIWTYFNFXRQ-AWEZNQCLSA-N 1 0 396.492 1.939 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C1 ZINC000825454240 607603081 /nfs/dbraw/zinc/60/30/81/607603081.db2.gz ZWOZYQMSLDFCGU-LLVKDONJSA-N 1 0 384.893 1.530 20 0 GDADRO C[NH+]1CCC(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)CC1 ZINC000826023002 607603134 /nfs/dbraw/zinc/60/31/34/607603134.db2.gz VIHHMQTUJOAIMQ-UHFFFAOYSA-N 1 0 384.893 1.530 20 0 GDADRO O=S(=O)(c1ccc(F)cc1-c1nn[nH]n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000826495377 607607079 /nfs/dbraw/zinc/60/70/79/607607079.db2.gz NNWJLFFYQAOVSW-AWEZNQCLSA-N 1 0 394.476 1.645 20 0 GDADRO COc1ccc(CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1-c1nn[nH]n1 ZINC000826199554 607622032 /nfs/dbraw/zinc/62/20/32/607622032.db2.gz CXUKDYUETKKFHI-AWEZNQCLSA-N 1 0 387.488 1.939 20 0 GDADRO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826330958 607639041 /nfs/dbraw/zinc/63/90/41/607639041.db2.gz OLOFCTFFJJNUEX-DYVFJYSZSA-N 1 0 380.456 1.863 20 0 GDADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000824977281 607653717 /nfs/dbraw/zinc/65/37/17/607653717.db2.gz PZSRZJSPGKVHMZ-ZWNOBZJWSA-N 1 0 384.893 1.527 20 0 GDADRO O=C(NCc1n[nH]cc1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529311188 649939736 /nfs/dbraw/zinc/93/97/36/649939736.db2.gz VBDMJYPPCRRSNP-GFCCVEGCSA-N 1 0 386.294 1.472 20 0 GDADRO Cc1cccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccco2)c1-c1nn[nH]n1 ZINC000826300688 607669278 /nfs/dbraw/zinc/66/92/78/607669278.db2.gz DQTAIXSLVGYNGW-UHFFFAOYSA-N 1 0 390.469 1.521 20 0 GDADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(-c3nn[nH]n3)cn2C)CC1 ZINC000824778494 607674761 /nfs/dbraw/zinc/67/47/61/607674761.db2.gz QDLYXFNHGGXKEB-CYBMUJFWSA-N 1 0 380.456 1.556 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000529382746 649942426 /nfs/dbraw/zinc/94/24/26/649942426.db2.gz VHLLCBHUSPZIFR-HUUCEWRRSA-N 1 0 384.274 1.520 20 0 GDADRO COc1ccccc1[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH+]1CCCC1 ZINC000826218691 607684665 /nfs/dbraw/zinc/68/46/65/607684665.db2.gz IWBSHTMEXLSXLY-INIZCTEOSA-N 1 0 381.440 1.770 20 0 GDADRO COc1cc(OC)cc([C@@H](C(=O)[O-])[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000832040577 604467938 /nfs/dbraw/zinc/46/79/38/604467938.db2.gz HGIBOKFLTLBCCA-IBGZPJMESA-N 1 0 378.469 1.874 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000826518917 607703974 /nfs/dbraw/zinc/70/39/74/607703974.db2.gz CLGOVKICOLQYHI-UHFFFAOYSA-N 1 0 387.407 1.897 20 0 GDADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)cc1 ZINC000826194104 607710392 /nfs/dbraw/zinc/71/03/92/607710392.db2.gz ANQJGRPRWLYTMO-UHFFFAOYSA-N 1 0 395.467 1.845 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000826247476 607710846 /nfs/dbraw/zinc/71/08/46/607710846.db2.gz DXQZUZZKXAMDQT-QZTJIDSGSA-N 1 0 384.484 1.673 20 0 GDADRO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)c2ccccc2C(=O)[O-])CC1 ZINC000827796097 604755877 /nfs/dbraw/zinc/75/58/77/604755877.db2.gz LHQHQZZZKYKFDI-OAHLLOKOSA-N 1 0 377.485 1.372 20 0 GDADRO CC(=O)NCC(=O)N1CCCN(Cc2sc(C)cc2Br)CC1 ZINC000529664128 649950157 /nfs/dbraw/zinc/95/01/57/649950157.db2.gz KIKKONBPCIOYDW-UHFFFAOYSA-N 1 0 388.331 1.989 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CCC(=O)[O-])C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000833601087 605142291 /nfs/dbraw/zinc/14/22/91/605142291.db2.gz QQSBTNSZNJICBI-AOIWGVFYSA-N 1 0 388.512 1.840 20 0 GDADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826443625 607746135 /nfs/dbraw/zinc/74/61/35/607746135.db2.gz XBDCOSPVRPSVIY-UHFFFAOYSA-N 1 0 381.440 1.082 20 0 GDADRO CN(CC(=O)Nc1sccc1-c1nn[nH]n1)CC(C)(C)C[NH+]1CCOCC1 ZINC000825897177 607750976 /nfs/dbraw/zinc/75/09/76/607750976.db2.gz DCAVPNADNLVZNF-UHFFFAOYSA-N 1 0 393.517 1.157 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNCc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825856226 607753682 /nfs/dbraw/zinc/75/36/82/607753682.db2.gz SAPLSIKBUCNXDW-NRFANRHFSA-N 1 0 396.495 1.848 20 0 GDADRO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000833404491 605679356 /nfs/dbraw/zinc/67/93/56/605679356.db2.gz QHITZIWBDGVBHD-KRWDZBQOSA-N 1 0 395.544 1.523 20 0 GDADRO O=C([O-])N1CC[C@@H](C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1 ZINC000834039473 605935961 /nfs/dbraw/zinc/93/59/61/605935961.db2.gz CVONYKBFYXCEPE-KRWDZBQOSA-N 1 0 380.533 1.691 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2nn(C)cc2-c2nn[nH]n2)C1 ZINC000820648651 606159463 /nfs/dbraw/zinc/15/94/63/606159463.db2.gz DUYHEKNYDCIWDW-CHWSQXEVSA-N 1 0 375.481 1.480 20 0 GDADRO Cn1cc(-c2nn[nH]n2)c(NC(=O)NCCCCCCC[NH+]2CCCC2)n1 ZINC000822614989 606173285 /nfs/dbraw/zinc/17/32/85/606173285.db2.gz YTBCGRRQZHPPHB-UHFFFAOYSA-N 1 0 375.481 1.768 20 0 GDADRO CC(C)[NH+]1CCC(N(C)CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820129344 606187183 /nfs/dbraw/zinc/18/71/83/606187183.db2.gz ZQGVZCBAYPQRHM-UHFFFAOYSA-N 1 0 392.529 1.445 20 0 GDADRO C[C@H](O)C[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000820481682 606187380 /nfs/dbraw/zinc/18/73/80/606187380.db2.gz YERNIXXHOCGFRN-AWEZNQCLSA-N 1 0 393.513 1.656 20 0 GDADRO Clc1cccc(N2CC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)C2)c1 ZINC000822586061 606204381 /nfs/dbraw/zinc/20/43/81/606204381.db2.gz ROMQBXKUFAHYSC-OCCSQVGLSA-N 1 0 399.890 1.627 20 0 GDADRO O[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)COc1ccc2c(c1)OCO2 ZINC000823683110 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385.859 1.746 20 0 GDADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000822731932 606480949 /nfs/dbraw/zinc/48/09/49/606480949.db2.gz FHUMELZVZMCOKV-HNNXBMFYSA-N 1 0 394.426 1.765 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821581773 606484575 /nfs/dbraw/zinc/48/45/75/606484575.db2.gz UTOPTEHCAGJLOS-QWRGUYRKSA-N 1 0 384.893 1.671 20 0 GDADRO O=C1CC2(CN1)CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1OC(F)F)CC2 ZINC000823524836 606506796 /nfs/dbraw/zinc/50/67/96/606506796.db2.gz CLFYEMUMMWKUNT-UHFFFAOYSA-N 1 0 378.383 1.570 20 0 GDADRO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3cc(-c4nn[nH]n4)cs3)CC2)nc1 ZINC000821588125 606541349 /nfs/dbraw/zinc/54/13/49/606541349.db2.gz CDHWMQSJBQPJGZ-UHFFFAOYSA-N 1 0 398.496 1.347 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000821378667 606565011 /nfs/dbraw/zinc/56/50/11/606565011.db2.gz RQDNVBPIQNLNFN-MAUKXSAKSA-N 1 0 386.500 1.662 20 0 GDADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000820759934 606583606 /nfs/dbraw/zinc/58/36/06/606583606.db2.gz OCGOQDXAPGSVAG-YOEHRIQHSA-N 1 0 377.452 1.902 20 0 GDADRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cnn(C)c1 ZINC000819856388 606624130 /nfs/dbraw/zinc/62/41/30/606624130.db2.gz JUTHXPBJWDWRTO-HNNXBMFYSA-N 1 0 394.483 1.438 20 0 GDADRO CC(C)[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1nc2ccccc2[nH]1 ZINC000820026626 606638906 /nfs/dbraw/zinc/63/89/06/606638906.db2.gz KVHURUUCHGZKMH-WBMJQRKESA-N 1 0 392.471 1.968 20 0 GDADRO CC[N@H+]1C[C@H](NC(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)[C@@H](C)C1 ZINC000821242529 606679179 /nfs/dbraw/zinc/67/91/79/606679179.db2.gz UWAVHFOEKARLRC-KSSFIOAISA-N 1 0 399.499 1.760 20 0 GDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821188953 606684174 /nfs/dbraw/zinc/68/41/74/606684174.db2.gz HKUFLGDFCNNFMP-CYBMUJFWSA-N 1 0 394.426 1.718 20 0 GDADRO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)COC1CCOCC1 ZINC000821105001 606695574 /nfs/dbraw/zinc/69/55/74/606695574.db2.gz UVEIKMRXHSPSSD-KRWDZBQOSA-N 1 0 375.473 1.635 20 0 GDADRO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820981041 606700204 /nfs/dbraw/zinc/70/02/04/606700204.db2.gz OGDNHELWJVGKIS-STQMWFEESA-N 1 0 389.508 1.216 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000821600266 606700359 /nfs/dbraw/zinc/70/03/59/606700359.db2.gz FKOGNYAYMHPLAQ-MRXNPFEDSA-N 1 0 395.471 1.056 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1coc(-c2ccccc2)n1 ZINC000821601549 606701140 /nfs/dbraw/zinc/70/11/40/606701140.db2.gz NGJOOKLOIROFCP-UHFFFAOYSA-N 1 0 379.428 1.892 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000823176664 606734913 /nfs/dbraw/zinc/73/49/13/606734913.db2.gz WJSCFCQWEDNSMU-SNVBAGLBSA-N 1 0 389.847 1.059 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1 ZINC000821581333 606743461 /nfs/dbraw/zinc/74/34/61/606743461.db2.gz IPARBCLEARSASK-VXGBXAGGSA-N 1 0 391.863 1.448 20 0 GDADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000819868456 606771840 /nfs/dbraw/zinc/77/18/40/606771840.db2.gz YHARQWIGFIHYMY-GTNSWQLSSA-N 1 0 376.848 1.960 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(OCCCO)CC1 ZINC000821702228 606776249 /nfs/dbraw/zinc/77/62/49/606776249.db2.gz MKYUUWZYRQXSOS-UHFFFAOYSA-N 1 0 377.445 1.118 20 0 GDADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1N(C)C ZINC000820803712 606785018 /nfs/dbraw/zinc/78/50/18/606785018.db2.gz GFZQKNDZCNPPKW-AWEZNQCLSA-N 1 0 379.472 1.433 20 0 GDADRO O=C(CC[N@@H+]1CCc2ccccc2[C@H]1CO)Nc1sccc1-c1nn[nH]n1 ZINC000822969423 606788496 /nfs/dbraw/zinc/78/84/96/606788496.db2.gz OCKHRAKPYXFNDK-OAHLLOKOSA-N 1 0 384.465 1.849 20 0 GDADRO CN(C(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821570563 606812769 /nfs/dbraw/zinc/81/27/69/606812769.db2.gz AOEZXPYQMAJFNN-GOSISDBHSA-N 1 0 392.463 1.978 20 0 GDADRO COc1cccc(N2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821873867 606844859 /nfs/dbraw/zinc/84/48/59/606844859.db2.gz ZLUIVGPCHLFVGI-IBGZPJMESA-N 1 0 380.452 1.731 20 0 GDADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000820420653 606849077 /nfs/dbraw/zinc/84/90/77/606849077.db2.gz VDJRWHIFEFOIIS-SJKOYZFVSA-N 1 0 387.465 1.654 20 0 GDADRO C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821615540 606850458 /nfs/dbraw/zinc/85/04/58/606850458.db2.gz AYULLVPOQMNNLG-FQEVSTJZSA-N 1 0 394.479 1.869 20 0 GDADRO C[C@@H](C[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000820274858 606852114 /nfs/dbraw/zinc/85/21/14/606852114.db2.gz KLNRAWPKXBXHEY-YWZLYKJASA-N 1 0 378.480 1.937 20 0 GDADRO O[C@H](CN1CC[NH+](CCc2cccs2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682187 606858562 /nfs/dbraw/zinc/85/85/62/606858562.db2.gz NWNOZSOLCOXNBE-GOSISDBHSA-N 1 0 384.509 1.822 20 0 GDADRO Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nc(C)n1 ZINC000822207455 606859063 /nfs/dbraw/zinc/85/90/63/606859063.db2.gz XEYMRVGYVRROKX-ZWKOTPCHSA-N 1 0 394.483 1.566 20 0 GDADRO CC[C@@H]1CN(CCn2cccn2)CC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820995698 606860615 /nfs/dbraw/zinc/86/06/15/606860615.db2.gz WGPSRBRRBYJLMP-RTBURBONSA-N 1 0 396.499 1.193 20 0 GDADRO O=S1(=O)CCc2cc(C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)ccc21 ZINC000823613993 606868338 /nfs/dbraw/zinc/86/83/38/606868338.db2.gz NSOBXQQSXXCJSY-UHFFFAOYSA-N 1 0 395.448 1.134 20 0 GDADRO O[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cc2ccccc2s1 ZINC000823681475 606870104 /nfs/dbraw/zinc/87/01/04/606870104.db2.gz DTFJNMWGXJQWTR-BXUZGUMPSA-N 1 0 396.480 1.643 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000821702445 606915047 /nfs/dbraw/zinc/91/50/47/606915047.db2.gz TWMCCUHMGCGBEC-HNNXBMFYSA-N 1 0 382.424 1.802 20 0 GDADRO CO[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1Cl ZINC000821676837 606922377 /nfs/dbraw/zinc/92/23/77/606922377.db2.gz INEXQRHPRDEWMN-NHYWBVRUSA-N 1 0 388.863 1.736 20 0 GDADRO COc1ccc(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1Br ZINC000530242263 649968729 /nfs/dbraw/zinc/96/87/29/649968729.db2.gz AULJMZKMSSUUQQ-UHFFFAOYSA-N 1 0 397.317 1.601 20 0 GDADRO NC(=O)[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850847 606987655 /nfs/dbraw/zinc/98/76/55/606987655.db2.gz RVTLXUZQXAPQLG-RHSMWYFYSA-N 1 0 380.408 1.213 20 0 GDADRO NC(=O)[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850849 606988219 /nfs/dbraw/zinc/98/82/19/606988219.db2.gz RVTLXUZQXAPQLG-YOEHRIQHSA-N 1 0 380.408 1.213 20 0 GDADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)c(Cl)c3)CC[C@@H]21 ZINC000821625734 607005709 /nfs/dbraw/zinc/00/57/09/607005709.db2.gz UWNHOUPWUIJLFI-ABAIWWIYSA-N 1 0 396.904 1.625 20 0 GDADRO COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821691087 607023040 /nfs/dbraw/zinc/02/30/40/607023040.db2.gz 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ZINC000826412556 608530033 /nfs/dbraw/zinc/53/00/33/608530033.db2.gz SJGUQBRARZVYIP-UHFFFAOYSA-N 1 0 390.407 1.666 20 0 GDADRO NC(=O)c1ccccc1NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826393685 608534176 /nfs/dbraw/zinc/53/41/76/608534176.db2.gz DUPWRZGMJLGWAT-UHFFFAOYSA-N 1 0 377.408 1.183 20 0 GDADRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826412534 608537261 /nfs/dbraw/zinc/53/72/61/608537261.db2.gz RTAOPNYTGVIKCW-GOSISDBHSA-N 1 0 380.452 1.586 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000826519090 608685352 /nfs/dbraw/zinc/68/53/52/608685352.db2.gz JRPCQOFAQQPSDJ-AWEZNQCLSA-N 1 0 390.455 1.432 20 0 GDADRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cnc3ccc(-c4nn[nH]n4)cn13)CC2 ZINC000825582541 608722468 /nfs/dbraw/zinc/72/24/68/608722468.db2.gz LAZOXJXSQKCJAV-CVEARBPZSA-N 1 0 383.456 1.266 20 0 GDADRO c1cn2c(cccc2C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n1 ZINC000826516147 608760372 /nfs/dbraw/zinc/76/03/72/608760372.db2.gz YNWGJJCBVFSMQC-UHFFFAOYSA-N 1 0 375.440 1.668 20 0 GDADRO CC(=O)Nc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000823999951 608833505 /nfs/dbraw/zinc/83/35/05/608833505.db2.gz OKARYHCPHXUJKZ-CYBMUJFWSA-N 1 0 393.455 1.326 20 0 GDADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826518587 608849288 /nfs/dbraw/zinc/84/92/88/608849288.db2.gz SJBHEMGUHLFIGG-KBXCAEBGSA-N 1 0 378.484 1.963 20 0 GDADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C1 ZINC000825454052 609149638 /nfs/dbraw/zinc/14/96/38/609149638.db2.gz YLMYHQOHIOYAEN-CQSZACIVSA-N 1 0 380.456 1.432 20 0 GDADRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826334063 609169730 /nfs/dbraw/zinc/16/97/30/609169730.db2.gz GILRMFOMPOBGKO-YVEFUNNKSA-N 1 0 380.456 1.755 20 0 GDADRO COc1cccc([C@@H](CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[NH+](C)C)c1 ZINC000826214101 609188066 /nfs/dbraw/zinc/18/80/66/609188066.db2.gz AHEPZIDTGQJHDA-QZTJIDSGSA-N 1 0 396.451 1.328 20 0 GDADRO COc1ccccc1[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC000826219128 609191371 /nfs/dbraw/zinc/19/13/71/609191371.db2.gz UFJYZEZJDDVAPF-MRXNPFEDSA-N 1 0 381.440 1.770 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257492 609221386 /nfs/dbraw/zinc/22/13/86/609221386.db2.gz FDFOZZAPMXEHHS-MRXNPFEDSA-N 1 0 380.456 1.527 20 0 GDADRO C[NH+](C)CCCOc1cccc(NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825866358 609228468 /nfs/dbraw/zinc/22/84/68/609228468.db2.gz XNLJQBIDMPTDTP-GOSISDBHSA-N 1 0 396.451 1.869 20 0 GDADRO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)C2=O)n(C)n1 ZINC000826269628 609241243 /nfs/dbraw/zinc/24/12/43/609241243.db2.gz RNUVXNWDXOAVLX-CZUORRHYSA-N 1 0 380.456 1.755 20 0 GDADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826435266 609260449 /nfs/dbraw/zinc/26/04/49/609260449.db2.gz KHJKNXHBQQHAMT-GOSISDBHSA-N 1 0 393.451 1.328 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824640463 609317446 /nfs/dbraw/zinc/31/74/46/609317446.db2.gz JEFCJAFEXWGJLK-HIFRSBDPSA-N 1 0 390.513 1.798 20 0 GDADRO C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824470458 609317729 /nfs/dbraw/zinc/31/77/29/609317729.db2.gz IGCBDMNMIPYKEL-OWQGQXMQSA-N 1 0 384.484 1.669 20 0 GDADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000825870364 609321859 /nfs/dbraw/zinc/32/18/59/609321859.db2.gz IWTJEGDCXWKWRP-UHFFFAOYSA-N 1 0 381.440 1.474 20 0 GDADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546905 609333889 /nfs/dbraw/zinc/33/38/89/609333889.db2.gz LQMQKKMAGBRNLU-GFCCVEGCSA-N 1 0 396.492 1.165 20 0 GDADRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)Cn1cccn1 ZINC000824426434 609336691 /nfs/dbraw/zinc/33/66/91/609336691.db2.gz FDODHJXHFFLEHN-CQSZACIVSA-N 1 0 377.456 1.890 20 0 GDADRO COc1ncccc1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826222459 609337292 /nfs/dbraw/zinc/33/72/92/609337292.db2.gz XQSLHSPOCPDIAW-UHFFFAOYSA-N 1 0 376.424 1.961 20 0 GDADRO COCCN1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826159429 609338487 /nfs/dbraw/zinc/33/84/87/609338487.db2.gz FVQAULKRXWHSLC-SFHVURJKSA-N 1 0 396.499 1.468 20 0 GDADRO Cn1cc(C[NH2+][C@H]2CCN(CC3CC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361181 609338857 /nfs/dbraw/zinc/33/88/57/609338857.db2.gz OIUDRZFASNUIFD-SFHVURJKSA-N 1 0 378.484 1.841 20 0 GDADRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824975627 609341067 /nfs/dbraw/zinc/34/10/67/609341067.db2.gz KPPXJTLBQMHFGB-UGSOOPFHSA-N 1 0 378.484 1.840 20 0 GDADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824553473 609342428 /nfs/dbraw/zinc/34/24/28/609342428.db2.gz BTALACDEJWJNHK-LLVKDONJSA-N 1 0 394.476 1.613 20 0 GDADRO COC1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC000826144706 609342837 /nfs/dbraw/zinc/34/28/37/609342837.db2.gz PVAGEFLWUOWJIN-UHFFFAOYSA-N 1 0 383.456 1.552 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825210817 609347744 /nfs/dbraw/zinc/34/77/44/609347744.db2.gz JNJUHIZUFSLSEA-HSMVNMDESA-N 1 0 396.492 1.717 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825210822 609347766 /nfs/dbraw/zinc/34/77/66/609347766.db2.gz JNJUHIZUFSLSEA-OZVIIMIRSA-N 1 0 396.492 1.717 20 0 GDADRO CC(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000823994476 609358557 /nfs/dbraw/zinc/35/85/57/609358557.db2.gz IRSZPWZWEZMQNA-UHFFFAOYSA-N 1 0 393.289 1.977 20 0 GDADRO CC[NH+]1CCN(CCC(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000530810738 649981190 /nfs/dbraw/zinc/98/11/90/649981190.db2.gz MSGNABZWSSVHAE-UHFFFAOYSA-N 1 0 398.301 1.822 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1)C(=O)NC(N)=O ZINC000824529050 609449919 /nfs/dbraw/zinc/44/99/19/609449919.db2.gz DEOUYRFWBFSXMT-NWDGAFQWSA-N 1 0 379.424 1.768 20 0 GDADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc(-c3nn[nH]n3)cn2C)cc1 ZINC000826189257 609468415 /nfs/dbraw/zinc/46/84/15/609468415.db2.gz QZAUBNHAMUQIHO-KRWDZBQOSA-N 1 0 395.467 1.781 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259536 609574864 /nfs/dbraw/zinc/57/48/64/609574864.db2.gz VOSLWOGHNAIZNX-SCLBCKFNSA-N 1 0 394.483 1.819 20 0 GDADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826357901 609603983 /nfs/dbraw/zinc/60/39/83/609603983.db2.gz VVYXNKKSXULORO-UHFFFAOYSA-N 1 0 387.488 1.170 20 0 GDADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)CC1 ZINC000826022638 609625567 /nfs/dbraw/zinc/62/55/67/609625567.db2.gz QBGOCZLMLVNPJI-UHFFFAOYSA-N 1 0 391.863 1.307 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000531079748 649986827 /nfs/dbraw/zinc/98/68/27/649986827.db2.gz NUQMEXYETSEHHR-GFCCVEGCSA-N 1 0 380.798 1.920 20 0 GDADRO Cc1ccc(SCC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1C ZINC000532711356 650031376 /nfs/dbraw/zinc/03/13/76/650031376.db2.gz MTXFHJIAVFVPMW-ROUUACIJSA-N 1 0 384.567 1.483 20 0 GDADRO O=C(CCN1C(=O)COc2cc(Br)ccc21)NCC[NH+]1CCC1 ZINC000532787453 650033744 /nfs/dbraw/zinc/03/37/44/650033744.db2.gz OLDQDFCHMCFVDH-UHFFFAOYSA-N 1 0 382.258 1.387 20 0 GDADRO NS(=O)(=O)c1cc(Br)cnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000533151282 650043987 /nfs/dbraw/zinc/04/39/87/650043987.db2.gz FSLMACXAXPJKQY-NSHDSACASA-N 1 0 375.292 1.166 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc2nsnc21 ZINC000533331823 650048571 /nfs/dbraw/zinc/04/85/71/650048571.db2.gz OVPVPYIFLLXATJ-MRVWCRGKSA-N 1 0 382.511 1.564 20 0 GDADRO CSCC[C@@H](C)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000533393012 650051097 /nfs/dbraw/zinc/05/10/97/650051097.db2.gz BTMRUTDPDDKIJT-OLZOCXBDSA-N 1 0 385.555 1.685 20 0 GDADRO CN(C(=O)c1cc(Cn2cc(Br)cn2)on1)[C@H]1C[NH+]2CCC1CC2 ZINC000533556962 650068883 /nfs/dbraw/zinc/06/88/83/650068883.db2.gz UWVGEYXKDMXIOQ-HNNXBMFYSA-N 1 0 394.273 1.848 20 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/nfs/dbraw/zinc/37/56/23/650375623.db2.gz KRMFEXLVVVTXQF-LBPRGKRZSA-N 1 0 385.917 1.567 20 0 GDADRO CC1(C)NC(=O)N(CC[NH2+][C@H](CCO)c2ccccc2Br)C1=O ZINC000541020864 650376646 /nfs/dbraw/zinc/37/66/46/650376646.db2.gz LAYCSOATECKSGY-CYBMUJFWSA-N 1 0 384.274 1.793 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000541317607 650381974 /nfs/dbraw/zinc/38/19/74/650381974.db2.gz CZVCFZWFOHQHKU-JKSUJKDBSA-N 1 0 375.535 1.096 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1C ZINC000543619817 650424693 /nfs/dbraw/zinc/42/46/93/650424693.db2.gz JETKNNXGWRGCPM-UHFFFAOYSA-N 1 0 389.543 1.010 20 0 GDADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000543839216 650430395 /nfs/dbraw/zinc/43/03/95/650430395.db2.gz QUCBCOVTZULYMT-HNNXBMFYSA-N 1 0 381.274 1.464 20 0 GDADRO O=C(N[C@@H](CCO)c1ccccc1Br)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000543839653 650430597 /nfs/dbraw/zinc/43/05/97/650430597.db2.gz ZTVRUAQWPNIETI-HOTGVXAUSA-N 1 0 382.302 1.379 20 0 GDADRO 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GDADRO C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)Oc1ccccc1Br ZINC000419607949 645924606 /nfs/dbraw/zinc/92/46/06/645924606.db2.gz HLNVOTBSUVVUIB-VXGBXAGGSA-N 1 0 384.274 1.153 20 0 GDADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419640147 645925552 /nfs/dbraw/zinc/92/55/52/645925552.db2.gz HGMHYJMRBYBXQO-AWEZNQCLSA-N 1 0 397.317 1.260 20 0 GDADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)C(=O)N(C)CC[NH3+] ZINC000419643471 645925676 /nfs/dbraw/zinc/92/56/76/645925676.db2.gz GUYWEUCXPXZWMD-TVQRCGJNSA-N 1 0 386.315 1.765 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)[C@@H]1C[NH3+] ZINC000419645971 645926260 /nfs/dbraw/zinc/92/62/60/645926260.db2.gz PZNYEPQVMDUHGR-NXEZZACHSA-N 1 0 378.420 1.406 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419646577 645926296 /nfs/dbraw/zinc/92/62/96/645926296.db2.gz ZDVATPOLCWGHDT-HONMWMINSA-N 1 0 384.274 1.201 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419774354 645932226 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20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)s1 ZINC000420741419 645961070 /nfs/dbraw/zinc/96/10/70/645961070.db2.gz HTXWBVCYWQKPKJ-UHFFFAOYSA-N 1 0 376.500 1.694 20 0 GDADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(S(C)(=O)=O)s3)CC2)c1 ZINC000421469193 646011271 /nfs/dbraw/zinc/01/12/71/646011271.db2.gz LCTFORTYMRQARO-UHFFFAOYSA-N 1 0 381.479 1.518 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1Br ZINC000422304299 646058677 /nfs/dbraw/zinc/05/86/77/646058677.db2.gz YNCOSCKQUHZRJV-CYBMUJFWSA-N 1 0 398.301 1.627 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000422419981 646066989 /nfs/dbraw/zinc/06/69/89/646066989.db2.gz AVPFNKVFCNVQDJ-MLGOLLRUSA-N 1 0 394.313 1.973 20 0 GDADRO Cc1ccc(Br)c(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000422424185 646067044 /nfs/dbraw/zinc/06/70/44/646067044.db2.gz JOGHGCMHYLROFA-WFASDCNBSA-N 1 0 382.302 1.973 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422477751 646069237 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382.302 1.836 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422980158 646105234 /nfs/dbraw/zinc/10/52/34/646105234.db2.gz LCVOYLGJMAUWBY-CYBMUJFWSA-N 1 0 394.313 1.851 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000422985964 646105535 /nfs/dbraw/zinc/10/55/35/646105535.db2.gz GDCKIZTWDLDBQL-LBPRGKRZSA-N 1 0 388.251 1.168 20 0 GDADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000423070280 646110939 /nfs/dbraw/zinc/11/09/39/646110939.db2.gz FWSVRHPZOROWAI-CQSZACIVSA-N 1 0 380.286 1.760 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000423176337 646117874 /nfs/dbraw/zinc/11/78/74/646117874.db2.gz GVBNRYSDSWWWKH-CYBMUJFWSA-N 1 0 388.295 1.512 20 0 GDADRO C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)Oc1ccccc1Br ZINC000423236427 646120589 /nfs/dbraw/zinc/12/05/89/646120589.db2.gz CLNZKGUHTRCSJT-LLVKDONJSA-N 1 0 382.262 1.587 20 0 GDADRO C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)Oc1ccc(Br)cc1 ZINC000423239986 646121337 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GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(Br)cc2Cl)C[C@H]1[NH3+] ZINC000423556167 646129398 /nfs/dbraw/zinc/12/93/98/646129398.db2.gz HWVFUCXXTJFMKV-NOZJJQNGSA-N 1 0 388.693 1.867 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)C1 ZINC000423551423 646129503 /nfs/dbraw/zinc/12/95/03/646129503.db2.gz GNGRJODYMLCXCL-OLZOCXBDSA-N 1 0 394.313 1.790 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000423572163 646131446 /nfs/dbraw/zinc/13/14/46/646131446.db2.gz WYSWNHJRVWKVDN-UHFFFAOYSA-N 1 0 382.258 1.751 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)C[C@@H]1[NH3+] ZINC000423578286 646132425 /nfs/dbraw/zinc/13/24/25/646132425.db2.gz KQVQWDZWULTCLQ-DDTOSNHZSA-N 1 0 396.285 1.537 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000423631536 646139116 /nfs/dbraw/zinc/13/91/16/646139116.db2.gz MQZDJGAWQPHAFQ-UHFFFAOYSA-N 1 0 384.274 1.108 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000423661458 646140717 /nfs/dbraw/zinc/14/07/17/646140717.db2.gz LLSWCQLYWJMFLH-HIFRSBDPSA-N 1 0 394.313 1.833 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000423691287 646143361 /nfs/dbraw/zinc/14/33/61/646143361.db2.gz ISIYIZPUPONDJZ-UWVGGRQHSA-N 1 0 378.420 1.849 20 0 GDADRO CN(Cc1cc(Br)ccc1F)C(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000423696500 646143812 /nfs/dbraw/zinc/14/38/12/646143812.db2.gz XKCDSFPRVMODCY-UHFFFAOYSA-N 1 0 386.265 1.757 20 0 GDADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000423946113 646144962 /nfs/dbraw/zinc/14/49/62/646144962.db2.gz UTEDAPOCVNWVCY-GFCCVEGCSA-N 1 0 383.495 1.396 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423965031 646147731 /nfs/dbraw/zinc/14/77/31/646147731.db2.gz XLTZNYRKBDXPAC-CQSZACIVSA-N 1 0 389.315 1.970 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423992277 646150326 /nfs/dbraw/zinc/15/03/26/646150326.db2.gz OFHQWKJAPYAKQK-KBPBESRZSA-N 1 0 386.539 1.456 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc(I)cc2)CCCO1 ZINC000424018288 646153274 /nfs/dbraw/zinc/15/32/74/646153274.db2.gz IGCWOPRTMQLYFK-CYBMUJFWSA-N 1 0 390.221 1.246 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424021463 646153916 /nfs/dbraw/zinc/15/39/16/646153916.db2.gz NTCHFJPYEMZYQR-ZJUUUORDSA-N 1 0 390.303 1.205 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCCO1 ZINC000424025315 646154608 /nfs/dbraw/zinc/15/46/08/646154608.db2.gz RVUAZYDFRZUWFB-STQMWFEESA-N 1 0 396.285 1.378 20 0 GDADRO C[NH2+]CCCN(C)C(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000424029670 646155289 /nfs/dbraw/zinc/15/52/89/646155289.db2.gz GCGGDYINCUKJAV-UHFFFAOYSA-N 1 0 377.557 1.167 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424069849 646160012 /nfs/dbraw/zinc/16/00/12/646160012.db2.gz CNYNHLQAYITPGP-FVQBIDKESA-N 1 0 385.555 1.343 20 0 GDADRO O=C1[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CCN1C1CCOCC1 ZINC000428785625 646178690 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CC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000517187004 648558686 /nfs/dbraw/zinc/55/86/86/648558686.db2.gz QJGQONXHNRFNLX-UHFFFAOYSA-N 1 0 382.302 1.913 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)NCc3cccc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000517557115 648568875 /nfs/dbraw/zinc/56/88/75/648568875.db2.gz YDZJMZITPTYNRF-LSDHHAIUSA-N 1 0 378.274 1.819 20 0 GDADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000517567630 648569666 /nfs/dbraw/zinc/56/96/66/648569666.db2.gz VUDKUNWQMSJBHA-OAGGEKHMSA-N 1 0 382.302 1.804 20 0 GDADRO CC(C)[N@H+](C)C[C@H](O)CN1C(=O)C[C@@H](c2cccc(Br)c2)C1=O ZINC000517759008 648576977 /nfs/dbraw/zinc/57/69/77/648576977.db2.gz HHLHLVABQMPXFG-GJZGRUSLSA-N 1 0 383.286 1.993 20 0 GDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)C1 ZINC000517825374 648579276 /nfs/dbraw/zinc/57/92/76/648579276.db2.gz XXQSPBZOSYTGGE-TZMCWYRMSA-N 1 0 379.507 1.961 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000517835561 648579388 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C[S@@](=O)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000528458022 648717687 /nfs/dbraw/zinc/71/76/87/648717687.db2.gz WRJLPQRJBAVTPT-WHEFHEQHSA-N 1 0 377.535 1.853 20 0 GDADRO CC(=O)NCC(=O)N1CCCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000528735936 648727138 /nfs/dbraw/zinc/72/71/38/648727138.db2.gz YHWZHUZOWPNVOU-INIZCTEOSA-N 1 0 398.301 1.153 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000571036661 651063751 /nfs/dbraw/zinc/06/37/51/651063751.db2.gz MRMAYGAGPYGQQA-INIZCTEOSA-N 1 0 381.274 1.645 20 0 GDADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000571148267 651066754 /nfs/dbraw/zinc/06/67/54/651066754.db2.gz NSNRWSQBEVVRKZ-NSHDSACASA-N 1 0 377.436 1.394 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000571189163 651068484 /nfs/dbraw/zinc/06/84/84/651068484.db2.gz LFNBJFCLJCMWDY-UHFFFAOYSA-N 1 0 375.263 1.510 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000571194759 651068810 /nfs/dbraw/zinc/06/88/10/651068810.db2.gz ICZFJXYZOIHMNZ-YCPHGPKFSA-N 1 0 392.297 1.585 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)C1 ZINC000571208402 651069054 /nfs/dbraw/zinc/06/90/54/651069054.db2.gz AITFJFRYBQSMAQ-JSGCOSHPSA-N 1 0 389.518 1.046 20 0 GDADRO CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000571321998 651073175 /nfs/dbraw/zinc/07/31/75/651073175.db2.gz SIMKXRSGNBTNAP-OAHLLOKOSA-N 1 0 385.555 1.332 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)s1 ZINC000571636631 651080163 /nfs/dbraw/zinc/08/01/63/651080163.db2.gz XEFVIPUQBJDWKJ-UONOGXRCSA-N 1 0 386.543 1.070 20 0 GDADRO C[NH+](C)CC(=O)N(CCN1CCOCC1)Cc1sccc1Br ZINC000571651757 651080366 /nfs/dbraw/zinc/08/03/66/651080366.db2.gz VEAUWQBDEDTUKQ-UHFFFAOYSA-N 1 0 390.347 1.733 20 0 GDADRO O=C(NCCn1cc(Br)cn1)N1CCNC[C@@H]1c1cccnc1 ZINC000571865153 651085003 /nfs/dbraw/zinc/08/50/03/651085003.db2.gz ZXLLAHRFUGKCNK-CQSZACIVSA-N 1 0 379.262 1.397 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000571931890 651087414 /nfs/dbraw/zinc/08/74/14/651087414.db2.gz RISROVKGNSUFMV-LLVKDONJSA-N 1 0 394.324 1.824 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(C)C1CC[NH2+]CC1 ZINC000572119373 651090827 /nfs/dbraw/zinc/09/08/27/651090827.db2.gz JHKNARRROJAAHK-UHFFFAOYSA-N 1 0 389.315 1.985 20 0 GDADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000572122196 651090995 /nfs/dbraw/zinc/09/09/95/651090995.db2.gz ZPTVGKGZJOVQTA-UEKVPHQBSA-N 1 0 389.315 1.726 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2cc(Br)cc(F)c21 ZINC000572131033 651091432 /nfs/dbraw/zinc/09/14/32/651091432.db2.gz ZTNOSPZWRWXRFC-VXGBXAGGSA-N 1 0 396.260 1.545 20 0 GDADRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2cc(Br)cc(F)c21 ZINC000572131030 651091465 /nfs/dbraw/zinc/09/14/65/651091465.db2.gz ZTNOSPZWRWXRFC-NEPJUHHUSA-N 1 0 396.260 1.545 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000572211563 651092050 /nfs/dbraw/zinc/09/20/50/651092050.db2.gz CSBYQRMXZXEVOY-GJZGRUSLSA-N 1 0 396.285 1.297 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)CC[NH2+]1 ZINC000572287794 651094023 /nfs/dbraw/zinc/09/40/23/651094023.db2.gz MBAMZBVSIPGCKD-ZYHUDNBSSA-N 1 0 375.288 1.480 20 0 GDADRO O=C(C(=O)N1CCc2cccc(Br)c2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000572474386 651098156 /nfs/dbraw/zinc/09/81/56/651098156.db2.gz OIHMSHGZRKMLJV-GOSISDBHSA-N 1 0 392.297 1.546 20 0 GDADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000572638744 651100967 /nfs/dbraw/zinc/10/09/67/651100967.db2.gz RYBXFHVWZRCIFK-GWCFXTLKSA-N 1 0 380.279 1.922 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000572834527 651106954 /nfs/dbraw/zinc/10/69/54/651106954.db2.gz OTSZYEVRJISFGX-UHFFFAOYSA-N 1 0 382.507 1.500 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c1OC ZINC000573089328 651467492 /nfs/dbraw/zinc/46/74/92/651467492.db2.gz CCSSOLMOFUIDEK-JTQLQIEISA-N 1 0 389.905 1.456 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2cc(F)c(F)cc2I)C[C@@H]1O ZINC000573385027 651477143 /nfs/dbraw/zinc/47/71/43/651477143.db2.gz MTTRXPPEZNESKL-RYUDHWBXSA-N 1 0 396.175 1.316 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000573606094 651485983 /nfs/dbraw/zinc/48/59/83/651485983.db2.gz UEHWNKOGHLSQRD-UHFFFAOYSA-N 1 0 396.207 1.983 20 0 GDADRO CS(=O)(=O)N1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000573621904 651487226 /nfs/dbraw/zinc/48/72/26/651487226.db2.gz QJEVBBMOBYZDMZ-JKSUJKDBSA-N 1 0 385.917 1.137 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000574032039 651510179 /nfs/dbraw/zinc/51/01/79/651510179.db2.gz QHKYPCYXHSZLBO-WFASDCNBSA-N 1 0 386.279 1.703 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000574055913 651513021 /nfs/dbraw/zinc/51/30/21/651513021.db2.gz JNPKOONTCLWDAC-GFCCVEGCSA-N 1 0 398.305 1.754 20 0 GDADRO O=C(NCC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)c1cnccn1 ZINC000574393044 651538020 /nfs/dbraw/zinc/53/80/20/651538020.db2.gz NSGAZDHHGSMALI-LBPRGKRZSA-N 1 0 385.251 1.543 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)CNc1cc[nH+]cc1C(N)=O ZINC000574398361 651538491 /nfs/dbraw/zinc/53/84/91/651538491.db2.gz OBZZTQIZUMBGTL-LLVKDONJSA-N 1 0 394.269 1.637 20 0 GDADRO COc1cc2[nH+]ccc(NC[C@H](O)Cn3ccnn3)c2cc1Br ZINC000574447328 651542950 /nfs/dbraw/zinc/54/29/50/651542950.db2.gz DHMQQBVUYPBGPP-JTQLQIEISA-N 1 0 378.230 1.492 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000574453178 651543980 /nfs/dbraw/zinc/54/39/80/651543980.db2.gz RHEKQVIWKZRGNI-UHFFFAOYSA-N 1 0 386.539 1.635 20 0 GDADRO COC(=O)CC[N@@H+]1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000574455651 651543985 /nfs/dbraw/zinc/54/39/85/651543985.db2.gz BVECNFYPDIGQAQ-GFCCVEGCSA-N 1 0 389.905 1.057 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000574520762 651549475 /nfs/dbraw/zinc/54/94/75/651549475.db2.gz FCIGNTZZZFKBGG-UHFFFAOYSA-N 1 0 392.319 1.138 20 0 GDADRO CC1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000574638717 651555397 /nfs/dbraw/zinc/55/53/97/651555397.db2.gz DZFBKDLDGAECQV-UHFFFAOYSA-N 1 0 394.324 1.778 20 0 GDADRO C[C@@H]1C[C@H](C)N(C(=O)CCNS(=O)(=O)c2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000574694259 651561068 /nfs/dbraw/zinc/56/10/68/651561068.db2.gz WPXLGZFZUMISMC-RDBSUJKOSA-N 1 0 387.933 1.840 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@]1(C)CCCO1 ZINC000574749788 651565248 /nfs/dbraw/zinc/56/52/48/651565248.db2.gz AXAYGSFZTNVTCF-QGZVFWFLSA-N 1 0 389.539 1.803 20 0 GDADRO CN1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)[C@H](C[NH3+])C1 ZINC000575801404 651604390 /nfs/dbraw/zinc/60/43/90/651604390.db2.gz QTWSHKMRMFLKMG-LLVKDONJSA-N 1 0 379.814 1.657 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000575815939 651605991 /nfs/dbraw/zinc/60/59/91/651605991.db2.gz RSSPPPXNUOFFJS-UHFFFAOYSA-N 1 0 394.216 1.474 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000576038565 651621024 /nfs/dbraw/zinc/62/10/24/651621024.db2.gz BGQSAZSEBDNTMU-CHWSQXEVSA-N 1 0 381.523 1.735 20 0 GDADRO O=C([C@@H]1CSCN1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000576228567 651644562 /nfs/dbraw/zinc/64/45/62/651644562.db2.gz YFUPPKSMGQNYMO-CABCVRRESA-N 1 0 381.523 1.032 20 0 GDADRO O=C1CC[C@@H]([NH+]2CCN(Cc3cc(O)ccc3Br)CC2)CCN1 ZINC000576582482 651673052 /nfs/dbraw/zinc/67/30/52/651673052.db2.gz ORWITTNXQFNWGN-CQSZACIVSA-N 1 0 382.302 1.941 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000576805769 651687758 /nfs/dbraw/zinc/68/77/58/651687758.db2.gz YYRVRFUAASVXMF-UHFFFAOYSA-N 1 0 376.226 1.733 20 0 GDADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccccc1I ZINC000576823058 651689395 /nfs/dbraw/zinc/68/93/95/651689395.db2.gz NCDJTDQLJYKFID-BDAKNGLRSA-N 1 0 375.210 1.472 20 0 GDADRO CC1(C)OCC[C@@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000576821256 651689561 /nfs/dbraw/zinc/68/95/61/651689561.db2.gz BBLGGXNTUZFSDT-ZFWWWQNUSA-N 1 0 386.539 1.421 20 0 GDADRO COCC[NH2+]C1CCN(S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000576829899 651690213 /nfs/dbraw/zinc/69/02/13/651690213.db2.gz JQALCJPCNGPDFI-UHFFFAOYSA-N 1 0 378.292 1.233 20 0 GDADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COC2CCOCC2)cc1Cl ZINC000576979804 651698613 /nfs/dbraw/zinc/69/86/13/651698613.db2.gz NHMWSKLQAOOMHK-CYBMUJFWSA-N 1 0 377.890 1.390 20 0 GDADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000577047459 651703528 /nfs/dbraw/zinc/70/35/28/651703528.db2.gz CQFHURUWUYVPQV-CYBMUJFWSA-N 1 0 393.289 1.923 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)CCC1 ZINC000577372904 651726884 /nfs/dbraw/zinc/72/68/84/651726884.db2.gz YRZHBNUCQICNQQ-UHFFFAOYSA-N 1 0 375.248 1.191 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(OC)cc2Cl)CC1 ZINC000577414802 651728070 /nfs/dbraw/zinc/72/80/70/651728070.db2.gz HJYOGPDBXFPDTE-CQSZACIVSA-N 1 0 389.949 1.901 20 0 GDADRO COc1ccc([C@H](C)NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1Br ZINC000577745958 651749994 /nfs/dbraw/zinc/74/99/94/651749994.db2.gz 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652639917 /nfs/dbraw/zinc/63/99/17/652639917.db2.gz DGMDLGMUASBTES-ZDUSSCGKSA-N 1 0 375.210 1.689 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1 ZINC000602545975 652640534 /nfs/dbraw/zinc/64/05/34/652640534.db2.gz USDJVCSVVPJQBC-XHSDSOJGSA-N 1 0 385.555 1.343 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000602553806 652641283 /nfs/dbraw/zinc/64/12/83/652641283.db2.gz VGZWKRHPMOYBBF-AWEZNQCLSA-N 1 0 387.527 1.168 20 0 GDADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1sc2c(c1I)CNC2 ZINC000602596055 652642668 /nfs/dbraw/zinc/64/26/68/652642668.db2.gz MRDZWXQNNVQWQV-RNFRBKRXSA-N 1 0 377.251 1.518 20 0 GDADRO CCOCCOC[C@@H](O)C[NH2+]Cc1ccc(I)s1 ZINC000602633233 652644005 /nfs/dbraw/zinc/64/40/05/652644005.db2.gz XHJVZIJZCDMLED-JTQLQIEISA-N 1 0 385.267 1.856 20 0 GDADRO CSCC[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)C(=O)N(C)C ZINC000602663085 652644564 /nfs/dbraw/zinc/64/45/64/652644564.db2.gz ICBGXXGIRRXQQA-LBPRGKRZSA-N 1 0 386.319 1.791 20 0 GDADRO 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ZINC000609153886 652836346 /nfs/dbraw/zinc/83/63/46/652836346.db2.gz DDTDFZNWJAIHNT-CQSZACIVSA-N 1 0 380.539 1.932 20 0 GDADRO CCOC(=O)CCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000609692196 652855096 /nfs/dbraw/zinc/85/50/96/652855096.db2.gz BYZFNUXNDXZJPB-UHFFFAOYSA-N 1 0 376.906 1.987 20 0 GDADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cccc(I)c2)C1 ZINC000610409366 652883436 /nfs/dbraw/zinc/88/34/36/652883436.db2.gz OYPUYGOFHLKOCB-LLVKDONJSA-N 1 0 394.278 1.911 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000610576994 652886843 /nfs/dbraw/zinc/88/68/43/652886843.db2.gz QEDWWYXVTXISLL-NSHDSACASA-N 1 0 376.500 1.696 20 0 GDADRO O=C(NCCNC(=O)c1ccc(Br)cn1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612997469 652948891 /nfs/dbraw/zinc/94/88/91/652948891.db2.gz YYKGTLQNOBNTBC-CYBMUJFWSA-N 1 0 396.289 1.015 20 0 GDADRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000614394813 652960054 /nfs/dbraw/zinc/96/00/54/652960054.db2.gz TYZUEWJENNVFTN-UHFFFAOYSA-N 1 0 393.289 1.983 20 0 GDADRO 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[NH3+][C@@]12CCC[C@@H]1CN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC000621700937 652998975 /nfs/dbraw/zinc/99/89/75/652998975.db2.gz ZTYGYBYCJMLOSX-MEBBXXQBSA-N 1 0 392.308 1.612 20 0 GDADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000621872237 652999642 /nfs/dbraw/zinc/99/96/42/652999642.db2.gz NHQWAEIAZJTWBD-UHFFFAOYSA-N 1 0 385.306 1.553 20 0 GDADRO C[C@H](CNC(=O)c1cc2c(cc1Br)OCO2)N1CC[NH+](C)CC1 ZINC000621872931 652999724 /nfs/dbraw/zinc/99/97/24/652999724.db2.gz KGKAXIRSTMLEON-LLVKDONJSA-N 1 0 384.274 1.544 20 0 GDADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000623017340 653002987 /nfs/dbraw/zinc/00/29/87/653002987.db2.gz LURNYUHBDMPGEW-UHFFFAOYSA-N 1 0 392.257 1.949 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623032464 653003580 /nfs/dbraw/zinc/00/35/80/653003580.db2.gz YEFCMZWQACGGIH-LBPRGKRZSA-N 1 0 379.262 1.639 20 0 GDADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)ncc1Br ZINC000623514925 653005847 /nfs/dbraw/zinc/00/58/47/653005847.db2.gz GXHFZLQDEIFNOE-SMDDNHRTSA-N 1 0 376.320 1.960 20 0 GDADRO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000623590581 653006519 /nfs/dbraw/zinc/00/65/19/653006519.db2.gz TVNWVLXSKHHAFG-MRXNPFEDSA-N 1 0 376.567 1.469 20 0 GDADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000624137292 653010405 /nfs/dbraw/zinc/01/04/05/653010405.db2.gz HWOOODPSPXDSIW-USXIJHARSA-N 1 0 388.555 1.607 20 0 GDADRO COc1cccc(OC)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624390955 653011872 /nfs/dbraw/zinc/01/18/72/653011872.db2.gz MUMJPLMUCAIPCJ-QWRGUYRKSA-N 1 0 382.404 1.852 20 0 GDADRO COCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000624415239 653012922 /nfs/dbraw/zinc/01/29/22/653012922.db2.gz WXAXXFFVGPRAED-CMPLNLGQSA-N 1 0 393.303 1.503 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)c(Cl)cc21 ZINC000625225235 653023032 /nfs/dbraw/zinc/02/30/32/653023032.db2.gz JYRUWACOUBSNEY-CJNGLKHVSA-N 1 0 383.901 1.574 20 0 GDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000625744320 653044015 /nfs/dbraw/zinc/04/40/15/653044015.db2.gz BHJAFSFODSWABS-TZMCWYRMSA-N 1 0 379.400 1.450 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000626574221 653057312 /nfs/dbraw/zinc/05/73/12/653057312.db2.gz RLJXPDLOJQHSMI-UHFFFAOYSA-N 1 0 397.277 1.933 20 0 GDADRO Cc1c(Br)ccc(NC(=O)C(=O)NC2(C[NH3+])CCOCC2)c1F ZINC000626884713 653063096 /nfs/dbraw/zinc/06/30/96/653063096.db2.gz MGQXQTOPPGRZPV-UHFFFAOYSA-N 1 0 388.237 1.459 20 0 GDADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C[NH2+]1 ZINC000626890268 653063280 /nfs/dbraw/zinc/06/32/80/653063280.db2.gz NBUSIBJQBSHSFD-IONNQARKSA-N 1 0 376.201 1.923 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NCCOCCC[NH3+] ZINC000626894309 653063736 /nfs/dbraw/zinc/06/37/36/653063736.db2.gz CMYRJRSOPPVEAX-UHFFFAOYSA-N 1 0 385.877 1.222 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000626896032 653064271 /nfs/dbraw/zinc/06/42/71/653064271.db2.gz FDOQMECVXJBDOO-UHFFFAOYSA-N 1 0 388.262 1.220 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000626968058 653065689 /nfs/dbraw/zinc/06/56/89/653065689.db2.gz AXCILAOSPQRBCD-OAHLLOKOSA-N 1 0 399.333 1.905 20 0 GDADRO C[NH2+]CCOCCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000626975882 653065896 /nfs/dbraw/zinc/06/58/96/653065896.db2.gz IASXCEZSAKSVPC-ZDUSSCGKSA-N 1 0 385.306 1.563 20 0 GDADRO C[NH2+]CCOCCNC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000627013343 653066776 /nfs/dbraw/zinc/06/67/76/653066776.db2.gz JXNSSTPXPWUUPI-UHFFFAOYSA-N 1 0 398.305 1.483 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000627020222 653066880 /nfs/dbraw/zinc/06/68/80/653066880.db2.gz FDBKUQQAFYIAJS-UHFFFAOYSA-N 1 0 377.894 1.121 20 0 GDADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627244947 653069687 /nfs/dbraw/zinc/06/96/87/653069687.db2.gz ANEGYXRNUWIOSJ-WOSRLPQWSA-N 1 0 384.318 1.958 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627264706 653069985 /nfs/dbraw/zinc/06/99/85/653069985.db2.gz XYLYVDXRGXGARH-VXGBXAGGSA-N 1 0 384.274 1.442 20 0 GDADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627264703 653070036 /nfs/dbraw/zinc/07/00/36/653070036.db2.gz XYLYVDXRGXGARH-NEPJUHHUSA-N 1 0 384.274 1.442 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000627293058 653071772 /nfs/dbraw/zinc/07/17/72/653071772.db2.gz KRUACQYFLFBHIY-CZUORRHYSA-N 1 0 396.329 1.953 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000627316610 653072201 /nfs/dbraw/zinc/07/22/01/653072201.db2.gz PKBXISWADDYXCQ-UHFFFAOYSA-N 1 0 392.681 1.071 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000627331843 653072434 /nfs/dbraw/zinc/07/24/34/653072434.db2.gz JPVAHZAXKTUXGG-UHFFFAOYSA-N 1 0 396.207 1.891 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627346056 653072939 /nfs/dbraw/zinc/07/29/39/653072939.db2.gz CVGFFCHVTOLPIA-TZMCWYRMSA-N 1 0 382.302 1.939 20 0 GDADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1nccs1 ZINC000627348717 653073137 /nfs/dbraw/zinc/07/31/37/653073137.db2.gz QQMPQQIHMLIIMJ-MXWKQRLJSA-N 1 0 378.420 1.696 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627406170 653074452 /nfs/dbraw/zinc/07/44/52/653074452.db2.gz YEOQOOFNHRHEQP-JSGCOSHPSA-N 1 0 382.302 1.879 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c(Br)c1 ZINC000627981918 653082685 /nfs/dbraw/zinc/08/26/85/653082685.db2.gz OLDSLVBWTTUTKS-GFCCVEGCSA-N 1 0 384.274 1.187 20 0 GDADRO Cc1cc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)ncc1Br ZINC000628163147 653091373 /nfs/dbraw/zinc/09/13/73/653091373.db2.gz RCKGGTSEWVRKLW-UHFFFAOYSA-N 1 0 381.318 1.893 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000628545939 653102928 /nfs/dbraw/zinc/10/29/28/653102928.db2.gz GFKUZHHQRFWCHQ-DZGCQCFKSA-N 1 0 385.555 1.938 20 0 GDADRO C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968011 653128823 /nfs/dbraw/zinc/12/88/23/653128823.db2.gz BVDGLHWCZDNEKU-TVQRCGJNSA-N 1 0 382.313 1.650 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(Br)cnc1OCC1CC1 ZINC000629169392 653134808 /nfs/dbraw/zinc/13/48/08/653134808.db2.gz SAEQCTQUDZQDPU-CYBMUJFWSA-N 1 0 384.274 1.429 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000629175528 653135971 /nfs/dbraw/zinc/13/59/71/653135971.db2.gz AVHMGDLDJYEPAZ-CABCVRRESA-N 1 0 383.901 1.038 20 0 GDADRO O[C@H](C[NH2+][C@@H]1CCOC[C@H]1O)COc1ccc(Cl)cc1Br ZINC000629607999 653177927 /nfs/dbraw/zinc/17/79/27/653177927.db2.gz BEZIBBKBIZVLGS-RAIGVLPGSA-N 1 0 380.666 1.582 20 0 GDADRO CCN(CC[NH3+])C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000629802373 653183292 /nfs/dbraw/zinc/18/32/92/653183292.db2.gz MBVPCHGMFZIRGA-UHFFFAOYSA-N 1 0 376.682 1.868 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000629814606 653183872 /nfs/dbraw/zinc/18/38/72/653183872.db2.gz NQLQJAWWPXNAMR-SNVBAGLBSA-N 1 0 378.420 1.577 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)CC[N@@H+]1C ZINC000630923670 653226794 /nfs/dbraw/zinc/22/67/94/653226794.db2.gz INVDYWGDCRCPGM-UONOGXRCSA-N 1 0 386.543 1.015 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000631312994 653234730 /nfs/dbraw/zinc/23/47/30/653234730.db2.gz MAIGUKZSLJAPBG-CYBMUJFWSA-N 1 0 397.317 1.710 20 0 GDADRO CCC1([NH+](C)C)CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000631476727 653237290 /nfs/dbraw/zinc/23/72/90/653237290.db2.gz VQQXJUHELONJRC-UHFFFAOYSA-N 1 0 388.555 1.804 20 0 GDADRO O=C(COc1ccc(Br)cn1)N1CC[NH+](C2CCOCC2)CC1 ZINC000631606340 653240518 /nfs/dbraw/zinc/24/05/18/653240518.db2.gz CWLXCFULPGZZPR-UHFFFAOYSA-N 1 0 384.274 1.546 20 0 GDADRO O=C1C[C@H](S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CN1C1CC1 ZINC000631659837 653242751 /nfs/dbraw/zinc/24/27/51/653242751.db2.gz MYROLYIUXOQGIW-LSDHHAIUSA-N 1 0 383.539 1.568 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1 ZINC000631686018 653243828 /nfs/dbraw/zinc/24/38/28/653243828.db2.gz BSFNWHJWRUFSND-MFKMUULPSA-N 1 0 377.392 1.640 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)NCc1ccnc(OCC(F)(F)F)c1 ZINC000631745092 653249297 /nfs/dbraw/zinc/24/92/97/653249297.db2.gz XADIKEHUESFSDJ-UHFFFAOYSA-N 1 0 381.420 1.928 20 0 GDADRO CN1CCO[C@@H](CS(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000631843373 653258605 /nfs/dbraw/zinc/25/86/05/653258605.db2.gz NAYFLNTWRHGJPM-MRXNPFEDSA-N 1 0 387.571 1.210 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000631850091 653260045 /nfs/dbraw/zinc/26/00/45/653260045.db2.gz FKGHGBAWHDMIOI-UHFFFAOYSA-N 1 0 391.896 1.518 20 0 GDADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2c(C)nn3cc(Br)cnc23)C1 ZINC000631904380 653265924 /nfs/dbraw/zinc/26/59/24/653265924.db2.gz MBZRZSASWJFJTO-JTQLQIEISA-N 1 0 388.291 1.030 20 0 GDADRO COc1ccc(Br)c(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000631913219 653268328 /nfs/dbraw/zinc/26/83/28/653268328.db2.gz HLVNYIPPTKVGQW-UHFFFAOYSA-N 1 0 392.319 1.476 20 0 GDADRO CN(Cc1cc(Br)ccc1F)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631915467 653269319 /nfs/dbraw/zinc/26/93/19/653269319.db2.gz KDKHNYJGADHMAX-UHFFFAOYSA-N 1 0 394.310 1.949 20 0 GDADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000631918163 653270341 /nfs/dbraw/zinc/27/03/41/653270341.db2.gz VVJRYQNKNPBHOO-INIZCTEOSA-N 1 0 391.896 1.781 20 0 GDADRO C[C@@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)Oc1ccccc1Br ZINC000631925456 653272060 /nfs/dbraw/zinc/27/20/60/653272060.db2.gz WEFYMOXZUZSJIM-NWDGAFQWSA-N 1 0 393.303 1.124 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)Cc3ncsc3Br)C[C@H]21 ZINC000631932636 653273841 /nfs/dbraw/zinc/27/38/41/653273841.db2.gz XAAYUAYCPOCRBC-OPRDCNLKSA-N 1 0 380.333 1.795 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000631942310 653275480 /nfs/dbraw/zinc/27/54/80/653275480.db2.gz UULKUTXECRKPJN-UHFFFAOYSA-N 1 0 388.291 1.221 20 0 GDADRO [NH3+]Cc1ccc(CNS(=O)(=O)Cc2ncsc2Br)cc1 ZINC000631947766 653276831 /nfs/dbraw/zinc/27/68/31/653276831.db2.gz LVIXOLPCWUKOSG-UHFFFAOYSA-N 1 0 376.301 1.984 20 0 GDADRO Cn1nc2c(c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)CCCC2 ZINC000631954233 653278809 /nfs/dbraw/zinc/27/88/09/653278809.db2.gz FSBXYRUVUGGTQA-ZYHUDNBSSA-N 1 0 380.436 1.447 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631965495 653280121 /nfs/dbraw/zinc/28/01/21/653280121.db2.gz BSKBWBKFULSOPQ-FRRDWIJNSA-N 1 0 376.906 1.969 20 0 GDADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@@H]4C[NH2+]CC[C@H]43)cc2N1 ZINC000631994532 653286507 /nfs/dbraw/zinc/28/65/07/653286507.db2.gz NQZYYBCRGPWLRW-IUODEOHRSA-N 1 0 383.901 1.987 20 0 GDADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@H]4C[NH2+]CC[C@H]43)cc2N1 ZINC000631994533 653286633 /nfs/dbraw/zinc/28/66/33/653286633.db2.gz NQZYYBCRGPWLRW-SWLSCSKDSA-N 1 0 383.901 1.987 20 0 GDADRO COc1cc(Cl)c(C)cc1NC(=O)CCNS(=O)(=O)CCC[NH+](C)C ZINC000632064816 653298934 /nfs/dbraw/zinc/29/89/34/653298934.db2.gz QCIKPPIENJAVCF-UHFFFAOYSA-N 1 0 391.921 1.857 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCCC2CC(OC(C)(C)C)C2)CC1 ZINC000632278138 653327648 /nfs/dbraw/zinc/32/76/48/653327648.db2.gz JWIVJOZYLFVEEW-UHFFFAOYSA-N 1 0 375.579 1.527 20 0 GDADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)c2c[nH]c(=O)s2)CC1 ZINC000632303591 653330703 /nfs/dbraw/zinc/33/07/03/653330703.db2.gz QYRCZTJBUSDHBV-CYBMUJFWSA-N 1 0 391.559 1.731 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N[C@@H](c2cccs2)C(C)(C)CO)CC1 ZINC000632341414 653341535 /nfs/dbraw/zinc/34/15/35/653341535.db2.gz JGNPMPPSRPOCJS-INIZCTEOSA-N 1 0 389.587 1.365 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2nccc(Br)c2C1 ZINC000632636199 653388897 /nfs/dbraw/zinc/38/88/97/653388897.db2.gz DJHSDQIMMHNLSD-UHFFFAOYSA-N 1 0 376.320 1.874 20 0 GDADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000632953462 653416607 /nfs/dbraw/zinc/41/66/07/653416607.db2.gz SFQITHJXSHBRQK-QWRGUYRKSA-N 1 0 384.278 1.634 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)C2 ZINC000633112253 653428551 /nfs/dbraw/zinc/42/85/51/653428551.db2.gz CZAPTCCHFCLAKE-GXTWGEPZSA-N 1 0 394.313 1.838 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(C)cc(Br)c3C2)C1 ZINC000633113485 653429017 /nfs/dbraw/zinc/42/90/17/653429017.db2.gz OTSWPJBTCFFVNC-CYBMUJFWSA-N 1 0 394.313 1.710 20 0 GDADRO CC[NH+]1CCN(CC(C)(C)NC(=O)COc2ccc(Br)cn2)CC1 ZINC000633362699 653439911 /nfs/dbraw/zinc/43/99/11/653439911.db2.gz PWEYHSAQXMXQCK-UHFFFAOYSA-N 1 0 399.333 1.755 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000633449836 653447012 /nfs/dbraw/zinc/44/70/12/653447012.db2.gz XJLOFDWSONMNLY-UHFFFAOYSA-N 1 0 386.294 1.189 20 0 GDADRO CNS(=O)(=O)CCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000633473204 653449812 /nfs/dbraw/zinc/44/98/12/653449812.db2.gz AJVRNAYZOFRGJG-UHFFFAOYSA-N 1 0 388.559 1.199 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)NCCCS(=O)(=O)NC)c1ccsc1 ZINC000633487260 653451807 /nfs/dbraw/zinc/45/18/07/653451807.db2.gz OPKFDUJGKKWXDI-CQSZACIVSA-N 1 0 376.548 1.370 20 0 GDADRO CN(C)S(=O)(=O)CC(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633768341 653469496 /nfs/dbraw/zinc/46/94/96/653469496.db2.gz ZSGXLWYSLWYMPK-CYBMUJFWSA-N 1 0 381.420 1.316 20 0 GDADRO O[C@@H](C[NH2+]C[C@@H](O)CC1(O)CCOCC1)COc1cccc(Cl)c1Cl ZINC000634644670 653496019 /nfs/dbraw/zinc/49/60/19/653496019.db2.gz ZCNGRCRSXFNOOH-STQMWFEESA-N 1 0 394.295 1.615 20 0 GDADRO C[C@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1)[NH+](C)C ZINC000635372554 653515201 /nfs/dbraw/zinc/51/52/01/653515201.db2.gz DNFQCHFILJPJER-LLVKDONJSA-N 1 0 383.290 1.971 20 0 GDADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000635444129 653517399 /nfs/dbraw/zinc/51/73/99/653517399.db2.gz NISIIMKPJLCTJS-UONOGXRCSA-N 1 0 384.464 1.932 20 0 GDADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000638002459 653534527 /nfs/dbraw/zinc/53/45/27/653534527.db2.gz WKLADRTXWXNKLR-STQMWFEESA-N 1 0 379.404 1.245 20 0 GDADRO CC[N@@H+]1CCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@@H]1C ZINC000638055405 653535078 /nfs/dbraw/zinc/53/50/78/653535078.db2.gz LEOUGEPDLOSLBI-NSHDSACASA-N 1 0 376.320 1.623 20 0 GDADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000638305789 653538103 /nfs/dbraw/zinc/53/81/03/653538103.db2.gz CMRUAQXDHQBQLR-STQMWFEESA-N 1 0 379.404 1.245 20 0 GDADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000638339365 653538512 /nfs/dbraw/zinc/53/85/12/653538512.db2.gz MIAMBWIFXIJLRO-YOEHRIQHSA-N 1 0 398.301 1.968 20 0 GDADRO [NH3+]C1(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCOCC1 ZINC000638537970 653539164 /nfs/dbraw/zinc/53/91/64/653539164.db2.gz WMVFLWQKOJYNPU-LBPRGKRZSA-N 1 0 396.285 1.426 20 0 GDADRO Cc1c(C(=O)NCC2([NH3+])CCOCC2)nnn1-c1cccc(Br)c1 ZINC000638537727 653539193 /nfs/dbraw/zinc/53/91/93/653539193.db2.gz UFFRHFQPWCJSSW-UHFFFAOYSA-N 1 0 394.273 1.576 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638543888 653539342 /nfs/dbraw/zinc/53/93/42/653539342.db2.gz CEXPNPUGRVBUHO-LBPRGKRZSA-N 1 0 379.507 1.853 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)CC[C@@H]1C(F)(F)F ZINC000638550551 653539533 /nfs/dbraw/zinc/53/95/33/653539533.db2.gz LGOMKJLDUWYIBO-ZJUUUORDSA-N 1 0 385.433 1.012 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC[C@H]1C(F)(F)F ZINC000638550488 653539554 /nfs/dbraw/zinc/53/95/54/653539554.db2.gz KTTJXRGTXAVKEK-KYXWUPHJSA-N 1 0 375.313 1.429 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000638570319 653540293 /nfs/dbraw/zinc/54/02/93/653540293.db2.gz YFXDYIRTJXVRNB-QWHCGFSZSA-N 1 0 375.288 1.480 20 0 GDADRO C[NH2+]CCOCCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000638583294 653540700 /nfs/dbraw/zinc/54/07/00/653540700.db2.gz YZTLFEJFOCDEIO-UHFFFAOYSA-N 1 0 398.312 1.014 20 0 GDADRO O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638596121 653541361 /nfs/dbraw/zinc/54/13/61/653541361.db2.gz LSBSFBIKHARZIT-UONOGXRCSA-N 1 0 382.258 1.049 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000638799919 653543966 /nfs/dbraw/zinc/54/39/66/653543966.db2.gz LWARMWKWUCMFLU-JTQLQIEISA-N 1 0 388.287 1.961 20 0 GDADRO O[C@@H](COCc1cccs1)C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639773283 653553261 /nfs/dbraw/zinc/55/32/61/653553261.db2.gz PSVWEISBDNRWOB-DLBZAZTESA-N 1 0 386.583 1.765 20 0 GDADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C1 ZINC000640384568 653559684 /nfs/dbraw/zinc/55/96/84/653559684.db2.gz QSLCDCWOYJXXPW-ZETCQYMHSA-N 1 0 389.350 2.034 20 0 GDADRO CN(CCCNS(=O)(=O)c1cccc2c1CCN(C)C2)CC(F)(F)F ZINC000641279965 653563735 /nfs/dbraw/zinc/56/37/35/653563735.db2.gz VNFHWJXOZSJMCH-UHFFFAOYSA-N 1 0 379.448 1.837 20 0 GDADRO COc1ncc(Br)c(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000641361186 653566134 /nfs/dbraw/zinc/56/61/34/653566134.db2.gz BBKOETWEJKJGCT-CYBMUJFWSA-N 1 0 384.322 1.854 20 0 GDADRO COc1cc(CS(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)sn1 ZINC000641367365 653566473 /nfs/dbraw/zinc/56/64/73/653566473.db2.gz IUQWHGDOEHTJEP-UHFFFAOYSA-N 1 0 377.532 1.414 20 0 GDADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)C[C@]3(C)CC3(F)F)CC2)CC1 ZINC000641548319 653571270 /nfs/dbraw/zinc/57/12/70/653571270.db2.gz ZGCABOXWMFLHQH-INIZCTEOSA-N 1 0 379.517 1.854 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000641650460 653574180 /nfs/dbraw/zinc/57/41/80/653574180.db2.gz OEMJJUGIQCSBKS-UHFFFAOYSA-N 1 0 375.922 1.655 20 0 GDADRO COc1ncc(Br)c(NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000641657616 653574739 /nfs/dbraw/zinc/57/47/39/653574739.db2.gz VNMGUZUOCKMBSO-UHFFFAOYSA-N 1 0 385.306 2.551 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000641663532 653574857 /nfs/dbraw/zinc/57/48/57/653574857.db2.gz AJKLPDLJEDCXOO-QGZVFWFLSA-N 1 0 396.329 1.976 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)CNS(=O)(=O)c1cccc(F)c1)c1cccs1 ZINC000641970984 653576342 /nfs/dbraw/zinc/57/63/42/653576342.db2.gz UXPSLSBJQWVORY-CQSZACIVSA-N 1 0 385.486 1.585 20 0 GDADRO O=C(NCc1ccc(Br)cc1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000642244546 653577910 /nfs/dbraw/zinc/57/79/10/653577910.db2.gz UVPSVRYYJIRDED-KRWDZBQOSA-N 1 0 380.286 1.667 20 0 GDADRO COCC(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000642625942 653578824 /nfs/dbraw/zinc/57/88/24/653578824.db2.gz PATKMJPJRWDAEY-CYBMUJFWSA-N 1 0 391.295 1.960 20 0 GDADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642909096 653579726 /nfs/dbraw/zinc/57/97/26/653579726.db2.gz GOWDUWUTGYKHLH-ZWNOBZJWSA-N 1 0 384.274 1.585 20 0 GDADRO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000643502449 653583216 /nfs/dbraw/zinc/58/32/16/653583216.db2.gz GWXJSWDPBUDIIY-PWSUYJOCSA-N 1 0 376.320 1.889 20 0 GDADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCc2cc(Br)ccc2C1 ZINC000643542286 653583416 /nfs/dbraw/zinc/58/34/16/653583416.db2.gz XACKDLHRPYTDRT-GDBMZVCRSA-N 1 0 392.297 1.544 20 0 GDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643541720 653583424 /nfs/dbraw/zinc/58/34/24/653583424.db2.gz QGNLNAKWQCKZJX-UWVGGRQHSA-N 1 0 376.404 1.331 20 0 GDADRO Cn1cc([C@@H]2CN(CC(=O)Nc3ccccc3Br)C[C@H]2[NH3+])cn1 ZINC000643895335 653592124 /nfs/dbraw/zinc/59/21/24/653592124.db2.gz AUHHCJJQVZEZMN-GXTWGEPZSA-N 1 0 378.274 1.548 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000644080503 653595409 /nfs/dbraw/zinc/59/54/09/653595409.db2.gz QQMJALZYLGHIOF-GFCCVEGCSA-N 1 0 389.568 1.358 20 0 GDADRO O=C(CCCS(=O)(=O)c1ccc(Br)cc1)NCC1C[NH2+]C1 ZINC000644104581 653595551 /nfs/dbraw/zinc/59/55/51/653595551.db2.gz BZTBYOQFSDFQJU-UHFFFAOYSA-N 1 0 375.288 1.339 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)C1 ZINC000644153033 653596027 /nfs/dbraw/zinc/59/60/27/653596027.db2.gz XSMJIWUPSZYPHG-YUELXQCFSA-N 1 0 380.286 1.966 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3[NH2+]CC3(C)C)C2=O)ccc1Br ZINC000644153536 653596028 /nfs/dbraw/zinc/59/60/28/653596028.db2.gz NNKZLCHAZUGGGT-KBPBESRZSA-N 1 0 380.286 1.977 20 0 GDADRO CS(=O)(=O)NC1(C[NH2+]C[C@@H](O)COc2ccccc2Cl)CCCCC1 ZINC000644515256 653599034 /nfs/dbraw/zinc/59/90/34/653599034.db2.gz WBLVQRWMMURIBB-CQSZACIVSA-N 1 0 390.933 1.921 20 0 GDADRO NS(=O)(=O)Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000644540382 653599218 /nfs/dbraw/zinc/59/92/18/653599218.db2.gz FDIVXRIEEUSITQ-UHFFFAOYSA-N 1 0 386.470 1.178 20 0 GDADRO CC(C)[C@H](C)C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000644572822 653599380 /nfs/dbraw/zinc/59/93/80/653599380.db2.gz URWRACZOVXLMGZ-CQSZACIVSA-N 1 0 376.544 1.592 20 0 GDADRO COCCOC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000644631185 653599719 /nfs/dbraw/zinc/59/97/19/653599719.db2.gz JMOBKWKFWUIXNG-OCCSQVGLSA-N 1 0 377.268 1.712 20 0 GDADRO O=S(=O)(CC[NH2+]CCC1CS(=O)(=O)C1)c1cccc(Br)c1 ZINC000644630463 653599721 /nfs/dbraw/zinc/59/97/21/653599721.db2.gz SMWPPEKSTBSWCR-UHFFFAOYSA-N 1 0 396.328 1.247 20 0 GDADRO CC[C@@H](O)C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000644631835 653599734 /nfs/dbraw/zinc/59/97/34/653599734.db2.gz BELWPGLZRWMIDE-ZIAGYGMSSA-N 1 0 391.331 1.963 20 0 GDADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000644631184 653599735 /nfs/dbraw/zinc/59/97/35/653599735.db2.gz JMOBKWKFWUIXNG-JSGCOSHPSA-N 1 0 377.268 1.712 20 0 GDADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000644636440 653599796 /nfs/dbraw/zinc/59/97/96/653599796.db2.gz WPZIMLCDUNWKNA-LBPRGKRZSA-N 1 0 396.278 1.495 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000645157191 653601763 /nfs/dbraw/zinc/60/17/63/653601763.db2.gz MJKXXUPGZYQSBT-JKSUJKDBSA-N 1 0 387.933 1.355 20 0 GDADRO C[C@@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1ncc(Br)cn1 ZINC000645417387 653602574 /nfs/dbraw/zinc/60/25/74/653602574.db2.gz RIONVCIOAWBSNB-GHMZBOCLSA-N 1 0 399.293 1.062 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ncccc1C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000645565257 653604193 /nfs/dbraw/zinc/60/41/93/653604193.db2.gz OHAWRQMXQKARQS-GFCCVEGCSA-N 1 0 380.436 1.262 20 0 GDADRO CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)C1CCCCC1)C1CCOCC1 ZINC000645587195 653604359 /nfs/dbraw/zinc/60/43/59/653604359.db2.gz QDJJGYQHRCCCJW-SFHVURJKSA-N 1 0 376.563 1.954 20 0 GDADRO CO[C@H](CS(=O)(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000645596366 653604422 /nfs/dbraw/zinc/60/44/22/653604422.db2.gz FAXPOXZPXORQOE-UIBIWLFHSA-N 1 0 376.563 1.714 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645626865 653605038 /nfs/dbraw/zinc/60/50/38/653605038.db2.gz UHULEIQUOGZFQH-ZDUSSCGKSA-N 1 0 399.738 1.835 20 0 GDADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cncc(Br)c3)C2)C1 ZINC000645820402 653606956 /nfs/dbraw/zinc/60/69/56/653606956.db2.gz WRMHBQYXKKRHLE-INIZCTEOSA-N 1 0 381.274 1.727 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000645834250 653607191 /nfs/dbraw/zinc/60/71/91/653607191.db2.gz HKJLICIYNHSIBL-NSHDSACASA-N 1 0 379.404 1.446 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccccc1OC(F)F ZINC000645834927 653607282 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[NH3+][C@H](CC(F)F)C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000646268737 653609414 /nfs/dbraw/zinc/60/94/14/653609414.db2.gz HPALUQDHEDGJOP-CQSZACIVSA-N 1 0 375.441 1.211 20 0 GDADRO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646340760 653609709 /nfs/dbraw/zinc/60/97/09/653609709.db2.gz HYNPGXOIDCTXFR-ZANVPECISA-N 1 0 380.242 1.604 20 0 GDADRO O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646345268 653609769 /nfs/dbraw/zinc/60/97/69/653609769.db2.gz PHXLFNSPQJEHPS-ZIAGYGMSSA-N 1 0 383.539 1.747 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1[nH]nc(C2CC2)c1Br ZINC000646455610 653610331 /nfs/dbraw/zinc/61/03/31/653610331.db2.gz QJNMGNOREPIQKI-VXGBXAGGSA-N 1 0 383.290 1.985 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000646496672 653610460 /nfs/dbraw/zinc/61/04/60/653610460.db2.gz YHHDWVVVQXARIE-AAEUAGOBSA-N 1 0 394.324 1.450 20 0 GDADRO C[NH+]1CCC2(CC1)CN(C(=O)C(=O)Nc1ccccc1Br)CCO2 ZINC000646890322 653615548 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383.290 1.527 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653083240 653905651 /nfs/dbraw/zinc/90/56/51/653905651.db2.gz SDNZXROJDRFNGP-ZBEGNZNMSA-N 1 0 382.258 1.048 20 0 GDADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653155182 653907242 /nfs/dbraw/zinc/90/72/42/653907242.db2.gz LAEIVLMZOCXPAA-NCHVAJSOSA-N 1 0 384.263 1.451 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1(c2ccccc2Br)CCC1 ZINC000653178180 653907926 /nfs/dbraw/zinc/90/79/26/653907926.db2.gz SXBRIWBRDJDZQI-AWEZNQCLSA-N 1 0 380.286 1.813 20 0 GDADRO CN1C[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CCC1=O ZINC000653285672 653909542 /nfs/dbraw/zinc/90/95/42/653909542.db2.gz VNHKSEDYCQPRII-DGCLKSJQSA-N 1 0 380.242 1.291 20 0 GDADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000653406212 653912820 /nfs/dbraw/zinc/91/28/20/653912820.db2.gz QVIACARCKIMCMY-UHFFFAOYSA-N 1 0 380.436 1.872 20 0 GDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000653686081 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GDADRO [NH3+]C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C(F)(F)F ZINC000655508852 653972567 /nfs/dbraw/zinc/97/25/67/653972567.db2.gz IMHWBPBQOKGSKI-KCJUWKMLSA-N 1 0 394.191 1.808 20 0 GDADRO [NH3+]C[C@@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)C(F)(F)F ZINC000655509814 653973009 /nfs/dbraw/zinc/97/30/09/653973009.db2.gz PLIKGLPPYJVATI-SNVBAGLBSA-N 1 0 397.195 1.967 20 0 GDADRO CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655512189 653973358 /nfs/dbraw/zinc/97/33/58/653973358.db2.gz SQYFWMWELKLVSI-LBPRGKRZSA-N 1 0 381.420 1.524 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@](C)(CO)OC ZINC000655807242 653991195 /nfs/dbraw/zinc/99/11/95/653991195.db2.gz IVROYRJWEWJORM-MEDUHNTESA-N 1 0 389.290 1.449 20 0 GDADRO [NH3+]C[C@@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)C(F)(F)F ZINC000655913784 653993461 /nfs/dbraw/zinc/99/34/61/653993461.db2.gz IZWAYWQUVWMQCD-OIBJUYFYSA-N 1 0 390.189 1.922 20 0 GDADRO [NH3+]C[C@@H](NC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)C(F)(F)F ZINC000655921556 653994148 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O=S(=O)(NC[C@H]1C[NH2+]CCCO1)c1cc(Cl)cc(Br)c1 ZINC000658381264 654187657 /nfs/dbraw/zinc/18/76/57/654187657.db2.gz DRUURIFELGSDDX-LLVKDONJSA-N 1 0 383.695 1.759 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CCCO1 ZINC000658382543 654187971 /nfs/dbraw/zinc/18/79/71/654187971.db2.gz OWEKKIOAVHDJMC-SNVBAGLBSA-N 1 0 388.795 1.977 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2([NH3+])CCCC2)c(OC)c1 ZINC000658389557 654188870 /nfs/dbraw/zinc/18/88/70/654188870.db2.gz ISGPIQPFYQQWSV-UHFFFAOYSA-N 1 0 391.515 1.007 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000658403398 654190151 /nfs/dbraw/zinc/19/01/51/654190151.db2.gz FXOMWYIKHOULCH-UHFFFAOYSA-N 1 0 387.527 1.259 20 0 GDADRO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1cc2c(cc1Br)OCCO2 ZINC000658404328 654190375 /nfs/dbraw/zinc/19/03/75/654190375.db2.gz QJLMTPVWPPCMLD-UHFFFAOYSA-N 1 0 389.271 1.251 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1Br ZINC000658408208 654191358 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GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC2CC(C)(C)C2)c(C)c[nH+]1 ZINC000662848231 654307909 /nfs/dbraw/zinc/30/79/09/654307909.db2.gz WRSNWUNYHAXRGV-UHFFFAOYSA-N 1 0 389.543 1.360 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCC2=CCCC2)c(C)c[nH+]1 ZINC000662851262 654310033 /nfs/dbraw/zinc/31/00/33/654310033.db2.gz UGSPEKJBWYXSSU-UHFFFAOYSA-N 1 0 387.527 1.282 20 0 GDADRO [NH3+]C1(CNC(=O)CS(=O)(=O)c2cccc(Br)c2)CCCC1 ZINC000662865252 654313021 /nfs/dbraw/zinc/31/30/21/654313021.db2.gz MZNTTXXVCALSMV-UHFFFAOYSA-N 1 0 375.288 1.611 20 0 GDADRO [NH3+]CC12CC(C1)CN2C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000662877081 654315251 /nfs/dbraw/zinc/31/52/51/654315251.db2.gz PWODRJYDYZMLDI-UHFFFAOYSA-N 1 0 392.253 1.385 20 0 GDADRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C1CC1 ZINC000663362956 654335063 /nfs/dbraw/zinc/33/50/63/654335063.db2.gz GFDOTURCXKKTOC-QGZVFWFLSA-N 1 0 388.555 1.735 20 0 GDADRO [NH3+]CC(=O)N1CCC[C@H](CN2CCOc3cc(Br)ccc3C2)C1 ZINC000663504492 654339084 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C[NH+](C)CCn1cc(NC(=O)c2nccn3c(Br)cnc23)cn1 ZINC000769740759 654480273 /nfs/dbraw/zinc/48/02/73/654480273.db2.gz HBBGYDGSNQTLDD-UHFFFAOYSA-N 1 0 378.234 1.502 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000668395803 654481010 /nfs/dbraw/zinc/48/10/10/654481010.db2.gz QYIFOBLDIYPHRI-LBPRGKRZSA-N 1 0 398.301 1.586 20 0 GDADRO CCN(C(=O)C(=O)NCCc1ccc(Br)s1)[C@@H]1CC[N@H+](C)C1 ZINC000668420159 654481676 /nfs/dbraw/zinc/48/16/76/654481676.db2.gz WULZKVFONAFXCP-LLVKDONJSA-N 1 0 388.331 1.722 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000668581544 654486464 /nfs/dbraw/zinc/48/64/64/654486464.db2.gz GHWCKUCOCQLRIK-AWEZNQCLSA-N 1 0 384.318 1.969 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)s1 ZINC000668946317 654495277 /nfs/dbraw/zinc/49/52/77/654495277.db2.gz YELCVOXTLHNWKP-CYBMUJFWSA-N 1 0 388.559 1.720 20 0 GDADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000733165136 654501291 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QPWBIMKKDBFXEK-AAEUAGOBSA-N 1 0 389.265 1.928 20 0 GDADRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773019357 654578371 /nfs/dbraw/zinc/57/83/71/654578371.db2.gz XQLYGLYBGOMHHA-XJKSGUPXSA-N 1 0 392.543 1.614 20 0 GDADRO NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000673857274 654584108 /nfs/dbraw/zinc/58/41/08/654584108.db2.gz OMASMSWZRQICKI-RYUDHWBXSA-N 1 0 397.324 1.734 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)CNC(=O)c2cc3c(s2)CCCC3)CCSC1 ZINC000673957342 654585714 /nfs/dbraw/zinc/58/57/14/654585714.db2.gz AQXILOPBAMAYNN-SFHVURJKSA-N 1 0 381.567 1.910 20 0 GDADRO CCN1C(=O)[C@@H]2C[N@H+](CCOc3cccc(Br)c3)CCN2C1=O ZINC000674468805 654600329 /nfs/dbraw/zinc/60/03/29/654600329.db2.gz SCDPDKCQBRZRNI-AWEZNQCLSA-N 1 0 382.258 1.796 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000774100413 654611176 /nfs/dbraw/zinc/61/11/76/654611176.db2.gz MBBMUNZCUISSAS-LLVKDONJSA-N 1 0 383.290 1.939 20 0 GDADRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000774226519 654617361 /nfs/dbraw/zinc/61/73/61/654617361.db2.gz LNOPZMWOWNSTNQ-HNNXBMFYSA-N 1 0 383.583 1.963 20 0 GDADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)C1 ZINC000774252856 654619723 /nfs/dbraw/zinc/61/97/23/654619723.db2.gz PVASMGWSTGMQPT-JUTIIYIPSA-N 1 0 377.388 1.320 20 0 GDADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c(Cl)c1 ZINC000675898816 654627931 /nfs/dbraw/zinc/62/79/31/654627931.db2.gz JMJMVAJEUUOHNX-ZDUSSCGKSA-N 1 0 388.917 1.895 20 0 GDADRO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CCCCC1 ZINC000774812972 654641112 /nfs/dbraw/zinc/64/11/12/654641112.db2.gz XZSIFHOQVOPVLL-QLFBSQMISA-N 1 0 385.599 1.863 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000676705787 654648706 /nfs/dbraw/zinc/64/87/06/654648706.db2.gz XAAOBZPYKSVHBE-VXGBXAGGSA-N 1 0 397.324 1.747 20 0 GDADRO COc1cc(Cl)ccc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000676856776 654653344 /nfs/dbraw/zinc/65/33/44/654653344.db2.gz VESAVTDLDCGXKQ-CQSZACIVSA-N 1 0 376.906 1.864 20 0 GDADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000775158032 654656457 /nfs/dbraw/zinc/65/64/57/654656457.db2.gz CEELTUZYRAGDMZ-NSHDSACASA-N 1 0 380.316 1.302 20 0 GDADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000775156961 654656474 /nfs/dbraw/zinc/65/64/74/654656474.db2.gz BFGAPVAUHDYDBO-AAEUAGOBSA-N 1 0 378.300 1.056 20 0 GDADRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000740005461 654667245 /nfs/dbraw/zinc/66/72/45/654667245.db2.gz CYMDUHXHGODWLR-NTZNESFSSA-N 1 0 381.951 1.407 20 0 GDADRO CN(C)S(=O)(=O)CCC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000775693728 654671950 /nfs/dbraw/zinc/67/19/50/654671950.db2.gz PLQWSXYLMKSQHS-GJZGRUSLSA-N 1 0 377.551 1.941 20 0 GDADRO C[C@]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000677695943 654673740 /nfs/dbraw/zinc/67/37/40/654673740.db2.gz QIQMEUDZMDEWMU-IAQYHMDHSA-N 1 0 378.416 1.820 20 0 GDADRO O=C(C[NH+]1CCC(n2cc(Br)cn2)CC1)N1CCOC[C@H]1C1CC1 ZINC000677984973 654681035 /nfs/dbraw/zinc/68/10/35/654681035.db2.gz PCMDJZWTVHHICH-INIZCTEOSA-N 1 0 397.317 1.920 20 0 GDADRO CCC[C@H]1CN(C(=O)CCn2cc(Br)cn2)CC[N@@H+]1CCOC ZINC000678021795 654681544 /nfs/dbraw/zinc/68/15/44/654681544.db2.gz LNDCBNXZWDISMO-HNNXBMFYSA-N 1 0 387.322 1.995 20 0 GDADRO CS[C@@H]1CN(C(=O)Cc2csc(-c3nc[nH]n3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000776209999 654684809 /nfs/dbraw/zinc/68/48/09/654684809.db2.gz BALPPNNKCJSQPT-QWHCGFSZSA-N 1 0 378.527 1.509 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=S)NCCNS(C)(=O)=O)[C@H]1c1cccs1 ZINC000741500600 654689772 /nfs/dbraw/zinc/68/97/72/654689772.db2.gz ZPSFJKPGWXBZRC-JSGCOSHPSA-N 1 0 390.600 1.144 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000678586302 654691673 /nfs/dbraw/zinc/69/16/73/654691673.db2.gz DQBXPGYPESSCRF-UHFFFAOYSA-N 1 0 384.889 1.946 20 0 GDADRO CN(C1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)S(C)(=O)=O ZINC000741784764 654692437 /nfs/dbraw/zinc/69/24/37/654692437.db2.gz UWIROOFSBJDGFE-CQSZACIVSA-N 1 0 375.535 1.599 20 0 GDADRO O=c1oc2cc(Br)ccc2n1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742160965 654695743 /nfs/dbraw/zinc/69/57/43/654695743.db2.gz BGVYOOVVDHPIFT-ZDUSSCGKSA-N 1 0 396.285 1.969 20 0 GDADRO CC(C)C[NH+]1CCN(c2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000679466113 654702565 /nfs/dbraw/zinc/70/25/65/654702565.db2.gz JFJPROVDKYOGDA-UHFFFAOYSA-N 1 0 377.308 1.270 20 0 GDADRO NC(=O)C1CCN(C[C@H]([NH2+]C[C@H](O)C(F)F)c2ccc(Cl)cc2)CC1 ZINC000680342935 654713013 /nfs/dbraw/zinc/71/30/13/654713013.db2.gz QLXSLKCJOKBCJU-GJZGRUSLSA-N 1 0 375.847 1.794 20 0 GDADRO Cn1nnnc1CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000681116160 654722964 /nfs/dbraw/zinc/72/29/64/654722964.db2.gz GGUQHOJHJPWGHU-UHFFFAOYSA-N 1 0 390.083 1.650 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000744349111 654729201 /nfs/dbraw/zinc/72/92/01/654729201.db2.gz KAOKSVAWLMAONX-CABCVRRESA-N 1 0 385.555 1.892 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000681716007 654737554 /nfs/dbraw/zinc/73/75/54/654737554.db2.gz FLJXNFAMVLXZGW-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)s1 ZINC000681800049 654738605 /nfs/dbraw/zinc/73/86/05/654738605.db2.gz GFKZLQIBGQFJOF-RBSFLKMASA-N 1 0 385.555 1.809 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000745817579 654750368 /nfs/dbraw/zinc/75/03/68/654750368.db2.gz QANBGADPVSCOEE-ZDUSSCGKSA-N 1 0 382.477 1.034 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000779016922 654753613 /nfs/dbraw/zinc/75/36/13/654753613.db2.gz VKGALHQCNSYZHC-LSDHHAIUSA-N 1 0 377.551 1.893 20 0 GDADRO O=C(NCCC1CS(=O)(=O)C1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000682448566 654753728 /nfs/dbraw/zinc/75/37/28/654753728.db2.gz RHVUWTHVSQKFPF-CQSZACIVSA-N 1 0 385.555 1.694 20 0 GDADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCS(=O)(=O)N2CCSCC2)C1 ZINC000779060372 654754081 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1.425 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(Cn2c(=O)scc2C(F)(F)F)CC1 ZINC000749954046 654844919 /nfs/dbraw/zinc/84/49/19/654844919.db2.gz HSSYNMYQNBLPSF-UHFFFAOYSA-N 1 0 378.420 1.126 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cnc1Br ZINC000783317815 654857042 /nfs/dbraw/zinc/85/70/42/654857042.db2.gz VROKJYAPQDIIFS-LBPRGKRZSA-N 1 0 383.290 1.938 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000783392204 654859517 /nfs/dbraw/zinc/85/95/17/654859517.db2.gz CBRBYABBQDDFKL-LBPRGKRZSA-N 1 0 383.290 1.891 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799942717 654864487 /nfs/dbraw/zinc/86/44/87/654864487.db2.gz PGVITLCLSIYTEW-BBRMVZONSA-N 1 0 399.333 1.418 20 0 GDADRO COc1ccc(CNC(=S)NNC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727075627 654864809 /nfs/dbraw/zinc/86/48/09/654864809.db2.gz ICKHXGLLQRVLNT-UHFFFAOYSA-N 1 0 383.587 1.626 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000751003791 654867707 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Cn1nc(Br)cc1C[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000800899705 654899320 /nfs/dbraw/zinc/89/93/20/654899320.db2.gz UORCMKUTSSLKCC-ZDUSSCGKSA-N 1 0 393.285 1.952 20 0 GDADRO Cc1nn(C)c(Br)c1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000800921618 654900746 /nfs/dbraw/zinc/90/07/46/654900746.db2.gz ACSWEDVDPKCVKF-RWMBFGLXSA-N 1 0 385.306 1.815 20 0 GDADRO Cn1nc(Br)cc1CNCc1cccnc1N1CC[NH+](C)CC1 ZINC000785438144 654917330 /nfs/dbraw/zinc/91/73/30/654917330.db2.gz DRNZWEJZDSRJHG-UHFFFAOYSA-N 1 0 379.306 1.619 20 0 GDADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1cc(Br)nn1C)C(F)(F)F ZINC000785433106 654917459 /nfs/dbraw/zinc/91/74/59/654917459.db2.gz CYYOBUNTMIBQKU-LBPRGKRZSA-N 1 0 396.211 1.846 20 0 GDADRO Cn1nc(Br)cc1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000785433503 654917476 /nfs/dbraw/zinc/91/74/76/654917476.db2.gz GCJGEDMDOYVLIK-NSHDSACASA-N 1 0 384.230 1.441 20 0 GDADRO CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000785519488 654919308 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Cc1ccc(Br)nc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000786929572 654955116 /nfs/dbraw/zinc/95/51/16/654955116.db2.gz LFRGCDPAYRXPJS-UHFFFAOYSA-N 1 0 397.317 1.825 20 0 GDADRO C[NH+](C)CCNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl ZINC000753767493 654956529 /nfs/dbraw/zinc/95/65/29/654956529.db2.gz DJAGHLWDXZXEAY-UHFFFAOYSA-N 1 0 384.683 1.041 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1c(I)cnn1C ZINC000831083911 654971218 /nfs/dbraw/zinc/97/12/18/654971218.db2.gz NBSOOIOXCHIQBE-LLVKDONJSA-N 1 0 376.242 1.515 20 0 GDADRO Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc(Cl)n1 ZINC000831230599 654977298 /nfs/dbraw/zinc/97/72/98/654977298.db2.gz ZTWHIAQCWBXMOC-YUTCNCBUSA-N 1 0 388.921 1.267 20 0 GDADRO C[NH+](C)CCOCCNS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000788072985 654981721 /nfs/dbraw/zinc/98/17/21/654981721.db2.gz WHZUGMJGYYPWNC-IZZDOVSWSA-N 1 0 377.304 1.917 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000754871993 654982107 /nfs/dbraw/zinc/98/21/07/654982107.db2.gz 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CCO[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C[NH+](C)C ZINC000831751329 654995945 /nfs/dbraw/zinc/99/59/45/654995945.db2.gz ISZKXWWPJJNXSC-LBPRGKRZSA-N 1 0 396.285 1.987 20 0 GDADRO Cc1cnc(Br)c(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC000831827658 654998715 /nfs/dbraw/zinc/99/87/15/654998715.db2.gz RRYPUJMDFGVIRW-NSHDSACASA-N 1 0 384.278 1.736 20 0 GDADRO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000804716334 654999540 /nfs/dbraw/zinc/99/95/40/654999540.db2.gz ICVIZDSVYBTZCP-CYBMUJFWSA-N 1 0 376.519 1.122 20 0 GDADRO Cc1nc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(Br)n1C ZINC000804951036 655005073 /nfs/dbraw/zinc/00/50/73/655005073.db2.gz NPVWAKQBYZMHAO-MNOVXSKESA-N 1 0 393.351 1.890 20 0 GDADRO Cc1cc(N2CC[C@H](NC(=O)[C@]3(F)CC[NH2+]C3)C2=O)ccc1Br ZINC000832014331 655005873 /nfs/dbraw/zinc/00/58/73/655005873.db2.gz UDCPLUIMMPIXOX-BBRMVZONSA-N 1 0 384.249 1.681 20 0 GDADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000832020663 655005890 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O=C(NCC1(n2cc(Br)cn2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000832262408 655024522 /nfs/dbraw/zinc/02/45/22/655024522.db2.gz RBACNVOJWPVLLE-UHFFFAOYSA-N 1 0 383.290 1.362 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000789570188 655026080 /nfs/dbraw/zinc/02/60/80/655026080.db2.gz GCKAOCPKBLTHFR-SECBINFHSA-N 1 0 385.262 1.390 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000789573269 655026591 /nfs/dbraw/zinc/02/65/91/655026591.db2.gz IXBONGWZARHRTE-JTQLQIEISA-N 1 0 385.262 1.344 20 0 GDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=S)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000756812029 655028259 /nfs/dbraw/zinc/02/82/59/655028259.db2.gz GVWVVVYUZKHOGB-HNNXBMFYSA-N 1 0 384.571 1.276 20 0 GDADRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(Br)nc2OC)C[C@H]1C ZINC000789595163 655028925 /nfs/dbraw/zinc/02/89/25/655028925.db2.gz FADLYSXCJGIDDO-GHMZBOCLSA-N 1 0 399.289 1.732 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000756899908 655029334 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C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccn2c(I)cnc12 ZINC000834361168 655064530 /nfs/dbraw/zinc/06/45/30/655064530.db2.gz FCWUGGMYBRERNM-UWVGGRQHSA-N 1 0 384.221 1.748 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cnn(C(C)(C)C)c2Br)C1 ZINC000834569377 655073413 /nfs/dbraw/zinc/07/34/13/655073413.db2.gz NWKGKGPQNYRIQV-MRXNPFEDSA-N 1 0 387.322 1.929 20 0 GDADRO C[NH+](C)CCCOC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC000791793335 655078037 /nfs/dbraw/zinc/07/80/37/655078037.db2.gz FTCLLXMIOQYJNM-UHFFFAOYSA-N 1 0 376.500 1.002 20 0 GDADRO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000834817440 655079719 /nfs/dbraw/zinc/07/97/19/655079719.db2.gz QWZGVHXXJMHRNU-JTCPNBIBSA-N 1 0 385.555 1.550 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)C(F)F ZINC000834830828 655080544 /nfs/dbraw/zinc/08/05/44/655080544.db2.gz MOOWEMKEZACQNS-SNVBAGLBSA-N 1 0 375.832 1.986 20 0 GDADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000834852955 655081210 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C[N@@H+]1CCCN(CCCNC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000792171528 655087672 /nfs/dbraw/zinc/08/76/72/655087672.db2.gz POEINCCKEJDMTQ-QGZVFWFLSA-N 1 0 396.329 1.896 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1Br ZINC000792955159 655102584 /nfs/dbraw/zinc/10/25/84/655102584.db2.gz SIJRENZZHBDFGC-VXGBXAGGSA-N 1 0 381.274 1.834 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(Br)n2)CC1 ZINC000792971248 655103324 /nfs/dbraw/zinc/10/33/24/655103324.db2.gz LSQOYVCDLZKOIB-UHFFFAOYSA-N 1 0 399.289 1.318 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000760215205 655105344 /nfs/dbraw/zinc/10/53/44/655105344.db2.gz BFNXPSFCXGWBCW-ZIAGYGMSSA-N 1 0 398.349 1.813 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnn(C)c2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000760414690 655111976 /nfs/dbraw/zinc/11/19/76/655111976.db2.gz WBJQFASQPHMANT-TZMCWYRMSA-N 1 0 384.322 1.281 20 0 GDADRO C[NH+]1CCC(CNC(=S)N2CCC(C(=O)Nc3nncs3)CC2)CC1 ZINC000760468074 655114492 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/nfs/dbraw/zinc/15/53/91/655155391.db2.gz LFVVHBJREPCVQZ-UHFFFAOYSA-N 1 0 382.266 1.683 20 0 GDADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795111047 655161839 /nfs/dbraw/zinc/16/18/39/655161839.db2.gz SOXKTMGYMMCISI-CABCVRRESA-N 1 0 375.535 1.599 20 0 GDADRO CS(=O)(=O)CCNC(=S)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000795137750 655163404 /nfs/dbraw/zinc/16/34/04/655163404.db2.gz ARMWAORBGOPTIO-SFHVURJKSA-N 1 0 381.567 1.504 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000762586137 655170964 /nfs/dbraw/zinc/17/09/64/655170964.db2.gz BZTGMZIASCNKAH-QBPKDAKJSA-N 1 0 386.631 1.939 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000762699458 655174540 /nfs/dbraw/zinc/17/45/40/655174540.db2.gz IPSSSRGZDLVVED-QGZVFWFLSA-N 1 0 381.523 1.287 20 0 GDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837413317 655182049 /nfs/dbraw/zinc/18/20/49/655182049.db2.gz IZLJPXOMLBEEBW-ZDUSSCGKSA-N 1 0 398.349 1.738 20 0 GDADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c(Br)nc2n1CCCC2 ZINC000837538646 655187326 /nfs/dbraw/zinc/18/73/26/655187326.db2.gz JWTLIUJJOMVFPJ-CYBMUJFWSA-N 1 0 398.349 1.738 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)c(F)cc1Cl ZINC000795828456 655189642 /nfs/dbraw/zinc/18/96/42/655189642.db2.gz JLHWUWDRWNKXIA-JTQLQIEISA-N 1 0 378.853 1.886 20 0 GDADRO CCOC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000795898614 655194619 /nfs/dbraw/zinc/19/46/19/655194619.db2.gz ZHRPDJAZMKKSRW-KGLIPLIRSA-N 1 0 390.502 1.669 20 0 GDADRO CCOC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000795898615 655194725 /nfs/dbraw/zinc/19/47/25/655194725.db2.gz ZHRPDJAZMKKSRW-UONOGXRCSA-N 1 0 390.502 1.669 20 0 GDADRO CC(C)C[C@H](C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000811475486 655197568 /nfs/dbraw/zinc/19/75/68/655197568.db2.gz HCDDRFFLJYHQDO-HUUCEWRRSA-N 1 0 377.551 1.939 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2cc(Cl)ncc2Br)CC1 ZINC000811470349 655197654 /nfs/dbraw/zinc/19/76/54/655197654.db2.gz YCUGDGHBNIMNRP-UHFFFAOYSA-N 1 0 375.698 1.865 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)C[C@@H]2C1 ZINC000812324892 655211225 /nfs/dbraw/zinc/21/12/25/655211225.db2.gz OOECVOVMMVZWHW-KGLIPLIRSA-N 1 0 380.286 1.589 20 0 GDADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000796482236 655213444 /nfs/dbraw/zinc/21/34/44/655213444.db2.gz LQVUTDAEYHDMHD-KKUMJFAQSA-N 1 0 375.535 1.693 20 0 GDADRO CNS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000796574561 655214456 /nfs/dbraw/zinc/21/44/56/655214456.db2.gz YWTAQZKJTWYHKF-JKSUJKDBSA-N 1 0 375.535 1.649 20 0 GDADRO C[NH+]1CCC2(CCN2C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000764363802 655215302 /nfs/dbraw/zinc/21/53/02/655215302.db2.gz RFIWZQSAXLSVBU-UHFFFAOYSA-N 1 0 375.853 1.437 20 0 GDADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000812489136 655215280 /nfs/dbraw/zinc/21/52/80/655215280.db2.gz TZDMOABKAWIPNC-HUUCEWRRSA-N 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COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000842871988 655381790 /nfs/dbraw/zinc/38/17/90/655381790.db2.gz UUAXPGWTLZNZTO-SKDRFNHKSA-N 1 0 393.278 1.969 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Cl ZINC000842872858 655381885 /nfs/dbraw/zinc/38/18/85/655381885.db2.gz QMEUMWXVDMMDDV-TXEJJXNPSA-N 1 0 392.930 1.364 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c(Br)cc1Cl ZINC000842882170 655382383 /nfs/dbraw/zinc/38/23/83/655382383.db2.gz OZFDBILQRCNHGI-RNFRBKRXSA-N 1 0 399.694 1.903 20 0 GDADRO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000818974010 655382578 /nfs/dbraw/zinc/38/25/78/655382578.db2.gz BDODZZSPGFWVJY-OAGGEKHMSA-N 1 0 376.563 1.699 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(C)C2CC([NH3+])C2)c(F)cc1Br ZINC000842885986 655382641 /nfs/dbraw/zinc/38/26/41/655382641.db2.gz FSBXAVMODYLMFF-UHFFFAOYSA-N 1 0 395.250 1.485 20 0 GDADRO O=S1(=O)CCCN1CCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000818998812 655382919 /nfs/dbraw/zinc/38/29/19/655382919.db2.gz VLODWVIDUKUXDI-AWEZNQCLSA-N 1 0 395.294 1.637 20 0 GDADRO CC(=O)N1CCN(C(=O)CC[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819036755 655383562 /nfs/dbraw/zinc/38/35/62/655383562.db2.gz GREMMYYIILXEBQ-MRXNPFEDSA-N 1 0 398.301 1.153 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NCCCCCC[NH3+])c1OC ZINC000842917961 655384022 /nfs/dbraw/zinc/38/40/22/655384022.db2.gz XZCSWLZTXKUIEV-UHFFFAOYSA-N 1 0 377.894 1.506 20 0 GDADRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C(=O)N1CCOCC1 ZINC000819141619 655386883 /nfs/dbraw/zinc/38/68/83/655386883.db2.gz YOQFSQVIVKRCNA-HUUCEWRRSA-N 1 0 389.265 1.849 20 0 GDADRO O=S(=O)(Cc1ccon1)NCC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000819135561 655386895 /nfs/dbraw/zinc/38/68/95/655386895.db2.gz FBVLGXFBYSEDDU-CQSZACIVSA-N 1 0 377.825 1.210 20 0 GDADRO COCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000819153001 655387031 /nfs/dbraw/zinc/38/70/31/655387031.db2.gz GMJOTDHBIWYLDC-UONOGXRCSA-N 1 0 381.274 1.825 20 0 GDADRO C[C@@](O)(CNC[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000843061807 655387687 /nfs/dbraw/zinc/38/76/87/655387687.db2.gz IKOZXUUMWHSHKX-XJKSGUPXSA-N 1 0 375.282 1.842 20 0 GDADRO CCOC(=O)C[C@@H](CO)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000843077314 655388025 /nfs/dbraw/zinc/38/80/25/655388025.db2.gz RLXAUZGKTWOEQX-XHDPSFHLSA-N 1 0 378.238 1.699 20 0 GDADRO Cn1cc([C@H](O)C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000843091514 655388152 /nfs/dbraw/zinc/38/81/52/655388152.db2.gz JUDRAJGCVHJIMW-UKRRQHHQSA-N 1 0 388.237 1.385 20 0 GDADRO C[C@](O)(C[NH2+]CC(=O)N1CCOCC1)c1ccc(Br)cc1Cl ZINC000819211029 655388194 /nfs/dbraw/zinc/38/81/94/655388194.db2.gz PYQBWSPIFWVWHS-HNNXBMFYSA-N 1 0 391.693 1.758 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@H](O)c1cccc(F)c1 ZINC000843099576 655388407 /nfs/dbraw/zinc/38/84/07/655388407.db2.gz APYCZOOFEMYLLN-LRDDRELGSA-N 1 0 375.462 1.594 20 0 GDADRO C[C@](O)(C[NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000819247393 655388682 /nfs/dbraw/zinc/38/86/82/655388682.db2.gz BXSBXADCRYDJOR-AWEZNQCLSA-N 1 0 395.294 1.277 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000819264555 655388973 /nfs/dbraw/zinc/38/89/73/655388973.db2.gz XBYYUYNBOGYIPX-ZDUSSCGKSA-N 1 0 385.408 1.041 20 0 GDADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)s1 ZINC000819274567 655389132 /nfs/dbraw/zinc/38/91/32/655389132.db2.gz LEDVKXIPBCPDJB-MRXNPFEDSA-N 1 0 392.543 1.907 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(F)cn1)c1ccc(F)cc1Cl ZINC000819295877 655389375 /nfs/dbraw/zinc/38/93/75/655389375.db2.gz SZUQOUWLSNHMDX-AWEZNQCLSA-N 1 0 391.827 1.615 20 0 GDADRO CC(C)S(=O)(=O)CC[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819316795 655389921 /nfs/dbraw/zinc/38/99/21/655389921.db2.gz KTMWKNKSSYYRSP-KRWDZBQOSA-N 1 0 378.535 1.551 20 0 GDADRO COc1ccc(OC)c([C@@H](O)C[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000819338653 655390075 /nfs/dbraw/zinc/39/00/75/655390075.db2.gz FLRXBNSZTGBUJR-HNNXBMFYSA-N 1 0 397.269 1.951 20 0 GDADRO C[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)[C@@H]1C[NH3+] ZINC000843346233 655393243 /nfs/dbraw/zinc/39/32/43/655393243.db2.gz KXAPFRNCMZQLDO-JGVFFNPUSA-N 1 0 396.332 1.357 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)NS(=O)(=O)c1cccnc1Cl ZINC000843351503 655393332 /nfs/dbraw/zinc/39/33/32/655393332.db2.gz YVKRHZHJDOVGNT-XQQFMLRXSA-N 1 0 386.905 1.145 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000843353747 655393535 /nfs/dbraw/zinc/39/35/35/655393535.db2.gz OZWDLIPCCVIFPS-RYUDHWBXSA-N 1 0 375.441 1.681 20 0 GDADRO O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000843356392 655393602 /nfs/dbraw/zinc/39/36/02/655393602.db2.gz MVDYDQKMAPUIDF-CYBMUJFWSA-N 1 0 377.432 1.621 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc1Cl ZINC000843356488 655393635 /nfs/dbraw/zinc/39/36/35/655393635.db2.gz RXZREXXSASWXMW-AWEZNQCLSA-N 1 0 391.921 1.967 20 0 GDADRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843357653 655393645 /nfs/dbraw/zinc/39/36/45/655393645.db2.gz MRQXHGOAYZZLRM-LBPRGKRZSA-N 1 0 382.511 1.545 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000843376845 655393949 /nfs/dbraw/zinc/39/39/49/655393949.db2.gz HTINRHLXCYTXLG-OAHLLOKOSA-N 1 0 387.933 1.433 20 0 GDADRO [NH3+]CC[C@H]1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000843385111 655394072 /nfs/dbraw/zinc/39/40/72/655394072.db2.gz YUGQSCHBJANZGA-CYBMUJFWSA-N 1 0 375.441 1.825 20 0 GDADRO C[C@]1(F)C[NH2+]CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000843386908 655394106 /nfs/dbraw/zinc/39/41/06/655394106.db2.gz BZOFGFWVPVYIRL-HNNXBMFYSA-N 1 0 379.404 1.255 20 0 GDADRO [NH3+][C@@H](C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc(Cl)c1 ZINC000843439422 655395032 /nfs/dbraw/zinc/39/50/32/655395032.db2.gz ISFCUCYOWOGZKA-CYBMUJFWSA-N 1 0 395.859 1.720 20 0 GDADRO C[C@H]1[NH2+]CCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)[C@@H]1C ZINC000843474273 655396136 /nfs/dbraw/zinc/39/61/36/655396136.db2.gz VWQRFIKXBAVULK-GHMZBOCLSA-N 1 0 380.495 1.121 20 0 GDADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H](CC[NH3+])C(F)F)ccc1F ZINC000843484512 655396571 /nfs/dbraw/zinc/39/65/71/655396571.db2.gz RPUIQWJKEHHRNT-LLVKDONJSA-N 1 0 381.420 1.615 20 0 GDADRO CN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)C1(C[NH3+])CCC1 ZINC000843486027 655396710 /nfs/dbraw/zinc/39/67/10/655396710.db2.gz XHIWVLPKPRQTNG-UHFFFAOYSA-N 1 0 382.305 1.111 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000843499030 655397059 /nfs/dbraw/zinc/39/70/59/655397059.db2.gz CHNZSTLBTLOZEY-ZDUSSCGKSA-N 1 0 395.257 1.884 20 0 GDADRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843498499 655397073 /nfs/dbraw/zinc/39/70/73/655397073.db2.gz PEQOOXNTUYDWQS-ZDUSSCGKSA-N 1 0 382.511 1.401 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000843505639 655397148 /nfs/dbraw/zinc/39/71/48/655397148.db2.gz WHLITOYYBCBGPB-GHMZBOCLSA-N 1 0 377.894 1.120 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000820071213 655402495 /nfs/dbraw/zinc/40/24/95/655402495.db2.gz ZKJDIXFWHGKNTJ-FOLVSLTJSA-N 1 0 377.491 1.256 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)c1ccc(Br)s1 ZINC000844038634 655405731 /nfs/dbraw/zinc/40/57/31/655405731.db2.gz NVMAQQDRBHWMBN-VIFPVBQESA-N 1 0 388.287 1.272 20 0 GDADRO COC(=O)c1sc(S(=O)(=O)NCCCN2CC[NH2+]CC2)c(C)c1Cl ZINC000844224764 655408616 /nfs/dbraw/zinc/40/86/16/655408616.db2.gz QFCCNUSULKAHIQ-UHFFFAOYSA-N 1 0 395.934 1.070 20 0 GDADRO CNS(=O)(=O)N1CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000844330598 655409605 /nfs/dbraw/zinc/40/96/05/655409605.db2.gz RQFDDEWMWCZWRL-UHFFFAOYSA-N 1 0 378.539 1.153 20 0 GDADRO Cc1cc(Br)nc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000844701131 655413444 /nfs/dbraw/zinc/41/34/44/655413444.db2.gz RGADCUQLJOODJC-UHFFFAOYSA-N 1 0 384.278 1.390 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)ncc2Br)CC1=O ZINC000844763139 655414622 /nfs/dbraw/zinc/41/46/22/655414622.db2.gz YTTUKGFFTGPFTJ-UHFFFAOYSA-N 1 0 389.681 1.344 20 0 GDADRO C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000820730802 655414646 /nfs/dbraw/zinc/41/46/46/655414646.db2.gz LFBZPWXEKSPRGT-GWCFXTLKSA-N 1 0 380.919 1.457 20 0 GDADRO CCn1ncc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1Br ZINC000820952334 655419637 /nfs/dbraw/zinc/41/96/37/655419637.db2.gz CXPRQSRYHVYONS-CYBMUJFWSA-N 1 0 385.306 1.992 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)[C@]1(C)CC1(Br)Br ZINC000821883757 655436522 /nfs/dbraw/zinc/43/65/22/655436522.db2.gz JNNUDNONUHSDOZ-NSHDSACASA-N 1 0 386.128 1.967 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[C@@H]3C(=O)Nc4c3cccc4Br)C[C@H]21 ZINC000821754045 655434480 /nfs/dbraw/zinc/43/44/80/655434480.db2.gz RPYFXUIVBYVOTC-PVTKRXDGSA-N 1 0 378.270 1.893 20 0 GDADRO CC(C)(C)OC(=O)NCCC1CC([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000845924930 655439045 /nfs/dbraw/zinc/43/90/45/655439045.db2.gz BIXGMZRPVRZMSP-SLTAFYQDSA-N 1 0 375.535 1.693 20 0 GDADRO CC(C)(C)OC(=O)NCCC1CC([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000845945890 655439798 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GDADRO CO[C@H](C[NH3+])Cc1nc(-c2cccn3c(I)cnc23)no1 ZINC000823114457 655456804 /nfs/dbraw/zinc/45/68/04/655456804.db2.gz CHZYUTVUDXLIRC-QMMMGPOBSA-N 1 0 399.192 1.505 20 0 GDADRO Ic1cnc2c(-c3noc([C@H]4C[NH2+]CCO4)n3)cccn12 ZINC000823115376 655456837 /nfs/dbraw/zinc/45/68/37/655456837.db2.gz LFXABPCEXGRKGZ-SECBINFHSA-N 1 0 397.176 1.650 20 0 GDADRO Brc1cccc(-c2nc(-c3noc(C[C@H]4COCC[NH2+]4)n3)n[nH]2)c1 ZINC000823185156 655457738 /nfs/dbraw/zinc/45/77/38/655457738.db2.gz NYJIHLNQBVVUJV-NSHDSACASA-N 1 0 391.229 1.815 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1[S@@](=O)C(F)(F)F ZINC000823193422 655457934 /nfs/dbraw/zinc/45/79/34/655457934.db2.gz NXNCXIBLUOPWNB-XELLLNAOSA-N 1 0 378.416 1.891 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000846744058 655460162 /nfs/dbraw/zinc/46/01/62/655460162.db2.gz WBPPLCCFORGQEF-BQBZGAKWSA-N 1 0 382.305 1.110 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000823477253 655463758 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COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1nc(Cl)sc1Cl ZINC000848032137 655480678 /nfs/dbraw/zinc/48/06/78/655480678.db2.gz CRDFIOMHONQQKE-UHFFFAOYSA-N 1 0 395.312 1.313 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(=O)n(C)cc1Br ZINC000824826743 655481114 /nfs/dbraw/zinc/48/11/14/655481114.db2.gz OJIXTDBRKRNDTM-LBPRGKRZSA-N 1 0 387.322 1.150 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3nc(F)ccc3Br)CC2)C1=O ZINC000848071649 655481638 /nfs/dbraw/zinc/48/16/38/655481638.db2.gz XCOZLIFLFPJLBJ-GFCCVEGCSA-N 1 0 399.264 1.408 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824897412 655482026 /nfs/dbraw/zinc/48/20/26/655482026.db2.gz WVWXOXJQCBTGOC-LSDHHAIUSA-N 1 0 376.519 1.616 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1CC[NH2+]CC1(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000825175857 655485164 /nfs/dbraw/zinc/48/51/64/655485164.db2.gz MWNVOSKXNONXTE-DGCLKSJQSA-N 1 0 388.921 1.296 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1Cl ZINC000825239755 655486527 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Cc1nc(Br)sc1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000827114180 655505912 /nfs/dbraw/zinc/50/59/12/655505912.db2.gz NZCNHINDOUGVAQ-UHFFFAOYSA-N 1 0 375.336 1.924 20 0 GDADRO C[N@@H+]1CC[C@H]2CN(C(=O)CNC(=O)c3ccc(Br)cc3)CC[C@H]21 ZINC000827373773 655510051 /nfs/dbraw/zinc/51/00/51/655510051.db2.gz KEIGXSCKNNCXTK-DZGCQCFKSA-N 1 0 380.286 1.732 20 0 GDADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)NCC[N@H+]1CC[C@@H](O)C1 ZINC000827528776 655512740 /nfs/dbraw/zinc/51/27/40/655512740.db2.gz QMLWTHHZXFLNRW-ZYHUDNBSSA-N 1 0 382.258 1.058 20 0 GDADRO C[C@@H](CNC(=O)c1csc(I)n1)N1CC[NH+](C)CC1 ZINC000827579528 655513444 /nfs/dbraw/zinc/51/34/44/655513444.db2.gz FQENPOMBDJYCQP-VIFPVBQESA-N 1 0 394.282 1.113 20 0 GDADRO CC(C)CNC(=[NH2+])NC[C@@H](O)COc1ccc(I)cc1 ZINC000849072653 655517180 /nfs/dbraw/zinc/51/71/80/655517180.db2.gz TXFKXYDTRYMLGQ-GFCCVEGCSA-N 1 0 391.253 1.801 20 0 GDADRO C[C@H]1CN(C(=[NH2+])NCCCNC(=O)c2cccc(Br)c2)CCO1 ZINC000849094206 655517255 /nfs/dbraw/zinc/51/72/55/655517255.db2.gz WSPZPMSJVSFBBG-LBPRGKRZSA-N 1 0 383.290 1.814 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000849420671 655531553 /nfs/dbraw/zinc/53/15/53/655531553.db2.gz WVHIOKUTIIAIIJ-JTQLQIEISA-N 1 0 375.878 1.673 20 0 GDADRO CN(CC(F)(F)Br)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849594012 655542614 /nfs/dbraw/zinc/54/26/14/655542614.db2.gz RQAOJJHHBCORSE-VXGBXAGGSA-N 1 0 379.249 1.902 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1ccc(Cl)cc1-n1cncn1)CC(F)(F)F ZINC000850364878 655553259 /nfs/dbraw/zinc/55/32/59/655553259.db2.gz XCJFMTHAWWGICC-UHFFFAOYSA-N 1 0 382.795 1.987 20 0 GDADRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000850417851 655554721 /nfs/dbraw/zinc/55/47/21/655554721.db2.gz ORDPHFCZONAJRK-LLVKDONJSA-N 1 0 375.466 1.818 20 0 GDADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850517938 655557094 /nfs/dbraw/zinc/55/70/94/655557094.db2.gz ADZGUYGVIUFANN-HIFRSBDPSA-N 1 0 379.448 1.859 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CCCC1 ZINC000850590741 655559494 /nfs/dbraw/zinc/55/94/94/655559494.db2.gz WCHJDZCHDMRILN-UHFFFAOYSA-N 1 0 386.417 1.530 20 0 GDADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000850593984 655559909 /nfs/dbraw/zinc/55/99/09/655559909.db2.gz KHDGFXGJPNOCRL-SSDOTTSWSA-N 1 0 381.683 1.636 20 0 GDADRO CCN(C(=O)C(=O)Nc1ccc(Br)nc1OC)[C@@H]1CC[N@H+](CC)C1 ZINC000850606591 655560633 /nfs/dbraw/zinc/56/06/33/655560633.db2.gz GSXSENVRPIXQJT-LLVKDONJSA-N 1 0 399.289 1.734 20 0 GDADRO CS(=O)(=O)CCOc1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000850756780 655567719 /nfs/dbraw/zinc/56/77/19/655567719.db2.gz VBVIKASTDWZKTN-LBPRGKRZSA-N 1 0 383.392 1.511 20 0 GDADRO CCS(=O)(=O)N(C)c1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000850763659 655567753 /nfs/dbraw/zinc/56/77/53/655567753.db2.gz IETVSYPBPVNWSE-ZDUSSCGKSA-N 1 0 376.429 1.591 20 0 GDADRO C[C@]12CCN(C(=O)N[C@H]3CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000851664773 655590197 /nfs/dbraw/zinc/59/01/97/655590197.db2.gz KKDVMBCFHZZWOI-NGZCFLSTSA-N 1 0 381.112 1.886 20 0 GDADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000851852142 655599771 /nfs/dbraw/zinc/59/97/71/655599771.db2.gz JRDHASTVVBGPBL-LLVKDONJSA-N 1 0 390.918 1.269 20 0 GDADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000851853480 655599948 /nfs/dbraw/zinc/59/99/48/655599948.db2.gz VWYWILDFFRLVLH-CYBMUJFWSA-N 1 0 379.404 1.320 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000851993061 655605398 /nfs/dbraw/zinc/60/53/98/655605398.db2.gz KUCVAJNCSNKFCH-HUUCEWRRSA-N 1 0 377.422 1.649 20 0 GDADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000852034425 655606285 /nfs/dbraw/zinc/60/62/85/655606285.db2.gz AJPHGNRODLQYCD-OVGBVBOLSA-N 1 0 384.420 1.504 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCn2ncc(Br)c2C1 ZINC000852064675 655606953 /nfs/dbraw/zinc/60/69/53/655606953.db2.gz DMPMUODXERHNJF-RYUDHWBXSA-N 1 0 384.278 1.034 20 0 GDADRO O=C(NCC[S@](=O)CC(F)(F)F)NCC1([NH+]2CCCC2)CCOCC1 ZINC000852127342 655608209 /nfs/dbraw/zinc/60/82/09/655608209.db2.gz PDUOEPCSSNYUEL-VWLOTQADSA-N 1 0 385.452 1.242 20 0 GDADRO O=c1cc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)nc2ccc(Br)cn12 ZINC000852299513 655611887 /nfs/dbraw/zinc/61/18/87/655611887.db2.gz STWQBGMGSZZZND-UHFFFAOYSA-N 1 0 389.253 1.827 20 0 GDADRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000852434514 655614047 /nfs/dbraw/zinc/61/40/47/655614047.db2.gz OJKQYFLZUHQONR-ZIAGYGMSSA-N 1 0 385.258 1.715 20 0 GDADRO C[NH+](C)CCc1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1 ZINC000852459124 655615270 /nfs/dbraw/zinc/61/52/70/655615270.db2.gz QUFJWGHMYZOEFH-RUZDIDTESA-N 1 0 379.448 1.901 20 0 GDADRO CCOCC[C@H](O)C[NH+]1CCC(n2nncc2I)CC1 ZINC000852532341 655617354 /nfs/dbraw/zinc/61/73/54/655617354.db2.gz INDVIHNCJSRIFT-LBPRGKRZSA-N 1 0 394.257 1.307 20 0 GDADRO O=C(NCCCN1CC[NH2+]CC1)c1cnn(-c2ccccc2)c1Br ZINC000852790056 655622599 /nfs/dbraw/zinc/62/25/99/655622599.db2.gz NRWYMERQTSYYEL-UHFFFAOYSA-N 1 0 392.301 1.660 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)CCO1 ZINC000852800036 655622936 /nfs/dbraw/zinc/62/29/36/655622936.db2.gz LGTJFTWDIDYMEV-BXUZGUMPSA-N 1 0 379.258 1.823 20 0 GDADRO Cc1cc(NC(=O)C2=NO[C@H](C[NH3+])C2)n(-c2cccc(Br)c2)n1 ZINC000852814675 655623452 /nfs/dbraw/zinc/62/34/52/655623452.db2.gz NPTGRXHWSNVCIE-LBPRGKRZSA-N 1 0 378.230 1.985 20 0 GDADRO O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852847036 655623989 /nfs/dbraw/zinc/62/39/89/655623989.db2.gz IPUBLKJMQNEDRQ-GFCCVEGCSA-N 1 0 375.313 1.446 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC3CC2(C[NH3+])C3)ccc1Cl ZINC000852858784 655624115 /nfs/dbraw/zinc/62/41/15/655624115.db2.gz HCAMMKCSESVJBB-UHFFFAOYSA-N 1 0 385.917 1.934 20 0 GDADRO CC1(C)C[NH2+][C@H]1C(=O)N1CCC(n2nncc2I)CC1 ZINC000852861286 655624438 /nfs/dbraw/zinc/62/44/38/655624438.db2.gz SIEVBFIZPAHBOM-NSHDSACASA-N 1 0 389.241 1.044 20 0 GDADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852869830 655624687 /nfs/dbraw/zinc/62/46/87/655624687.db2.gz MUJCLPUIKWFSOD-IUODEOHRSA-N 1 0 395.301 1.758 20 0 GDADRO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCn2ncc(Br)c2C1 ZINC000852867748 655624754 /nfs/dbraw/zinc/62/47/54/655624754.db2.gz AVRXOJBOKGDZAP-LBPRGKRZSA-N 1 0 379.262 1.423 20 0 GDADRO [NH3+]C[C@@H]1CC(C(=O)NCc2ccc(I)c(Cl)c2)=NO1 ZINC000852891202 655625356 /nfs/dbraw/zinc/62/53/56/655625356.db2.gz ZMZYLMMVPNBRTR-QMMMGPOBSA-N 1 0 393.612 1.664 20 0 GDADRO O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000852906899 655627396 /nfs/dbraw/zinc/62/73/96/655627396.db2.gz WQGXOZOWDJXELF-JYJNAYRXSA-N 1 0 386.514 1.308 20 0 GDADRO C[NH+]1CCC(N2CC[C@@H](Nc3ccc4c(c3)S(=O)(=O)N=C4Cl)C2)CC1 ZINC000853321359 655638402 /nfs/dbraw/zinc/63/84/02/655638402.db2.gz MDEGOXFHCSXUOA-CYBMUJFWSA-N 1 0 382.917 1.955 20 0 GDADRO CN(CC1C[NH+](C)C1)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000853552823 655642510 /nfs/dbraw/zinc/64/25/10/655642510.db2.gz HWEQRMRHGVDAGH-SFHVURJKSA-N 1 0 394.313 1.917 20 0 GDADRO OC1(c2ccc(Br)cc2)CN(c2ccnc(N3CCOCC3)n2)C1 ZINC000853973308 655654974 /nfs/dbraw/zinc/65/49/74/655654974.db2.gz WNLJHKVQPLNQNZ-UHFFFAOYSA-N 1 0 391.269 1.784 20 0 GDADRO C[NH+]1CCN(c2cc(C(=O)NCc3cnc(Br)s3)ccn2)CC1 ZINC000854356943 655664165 /nfs/dbraw/zinc/66/41/65/655664165.db2.gz ZMVBBZKMZSVDAF-UHFFFAOYSA-N 1 0 396.314 1.982 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1(Br)Br ZINC000854744035 655675773 /nfs/dbraw/zinc/67/57/73/655675773.db2.gz RRQUFRMVAOVMLY-ZYHUDNBSSA-N 1 0 398.139 1.846 20 0 GDADRO C[NH+]1CCC(CNC(=O)CC[C@H]2CC2(Cl)Cl)(N2CCOCC2)CC1 ZINC000854931795 655681504 /nfs/dbraw/zinc/68/15/04/655681504.db2.gz OYVYCLCVPXXTKK-AWEZNQCLSA-N 1 0 378.344 1.873 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000855414264 655693745 /nfs/dbraw/zinc/69/37/45/655693745.db2.gz XZGKOMDZEUBVOB-LBPRGKRZSA-N 1 0 391.921 1.335 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)C(=O)c1ccc(Br)s1 ZINC000855417416 655693887 /nfs/dbraw/zinc/69/38/87/655693887.db2.gz GIUAIDHWMOLBBY-UHFFFAOYSA-N 1 0 376.320 1.693 20 0 GDADRO CC(C)C[C@H](NC(=O)NCC[C@@H]1CC1(Cl)Cl)C(=O)NCC[NH+](C)C ZINC000856946423 655722992 /nfs/dbraw/zinc/72/29/92/655722992.db2.gz JUNIUMKONQDUPS-OLZOCXBDSA-N 1 0 381.348 1.962 20 0 GDADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCSCc1ccnc(Cl)c1)C2 ZINC000857101458 655727742 /nfs/dbraw/zinc/72/77/42/655727742.db2.gz YCVCDFFAVTUAPM-DYVFJYSZSA-N 1 0 382.917 1.424 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000857140695 655728866 /nfs/dbraw/zinc/72/88/66/655728866.db2.gz BXCSPGBDAGZMSW-LBPRGKRZSA-N 1 0 385.306 1.980 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000857182999 655730097 /nfs/dbraw/zinc/73/00/97/655730097.db2.gz AMDLBOKOBWAEQS-ZDUSSCGKSA-N 1 0 380.233 1.958 20 0 GDADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2nc(Cl)sc2Cl)CC1=O ZINC000857259673 655732691 /nfs/dbraw/zinc/73/26/91/655732691.db2.gz FDRJRYVIAKQQDZ-VIFPVBQESA-N 1 0 395.312 1.359 20 0 GDADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1c(Br)nc2n1CCOC2 ZINC000857721933 655740228 /nfs/dbraw/zinc/74/02/28/655740228.db2.gz YBGZUXNXSCDJEJ-VXGBXAGGSA-N 1 0 399.289 1.111 20 0 GDADRO O=C(c1nc(Br)cs1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000857764300 655741369 /nfs/dbraw/zinc/74/13/69/655741369.db2.gz ONLHEPVJNFJBCH-JTQLQIEISA-N 1 0 387.303 1.190 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000858498337 655748763 /nfs/dbraw/zinc/74/87/63/655748763.db2.gz NFRSXKCDTHCSOM-BPLDGKMQSA-N 1 0 375.535 1.692 20 0 GDADRO C[NH2+]CC1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC1 ZINC000858607475 655749942 /nfs/dbraw/zinc/74/99/42/655749942.db2.gz CKORPDLMRKZJKE-UHFFFAOYSA-N 1 0 379.404 1.808 20 0 GDADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000858611265 655750215 /nfs/dbraw/zinc/75/02/15/655750215.db2.gz OPBPFEDGIFHZAZ-NSHDSACASA-N 1 0 379.404 1.937 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000858615735 655750466 /nfs/dbraw/zinc/75/04/66/655750466.db2.gz WGGCDFSOOWYIEN-MNOVXSKESA-N 1 0 379.404 1.793 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1Cl ZINC000858628168 655751118 /nfs/dbraw/zinc/75/11/18/655751118.db2.gz KVIQTUINOJIODC-UHFFFAOYSA-N 1 0 377.850 1.305 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC2(C[NH3+])CCOCC2)c(Cl)cc1Cl ZINC000858629937 655751330 /nfs/dbraw/zinc/75/13/30/655751330.db2.gz DNXQIBWWXNJCDI-UHFFFAOYSA-N 1 0 397.280 1.566 20 0 GDADRO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)C[C@H](C)[NH3+])cc21 ZINC000858641591 655751926 /nfs/dbraw/zinc/75/19/26/655751926.db2.gz KJRMRVZKJMFTDR-VIFPVBQESA-N 1 0 390.303 1.326 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)nc1F ZINC000858902801 655755171 /nfs/dbraw/zinc/75/51/71/655755171.db2.gz FKVVYDJBIHGOPR-UWVGGRQHSA-N 1 0 378.267 1.888 20 0 GDADRO C[C@H](CNC(=O)c1cc(Br)cc(C=O)c1)CN1CC[NH+](C)CC1 ZINC000859360305 655778627 /nfs/dbraw/zinc/77/86/27/655778627.db2.gz CELAVEYFALNIQT-CYBMUJFWSA-N 1 0 382.302 1.875 20 0 GDADRO C[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F)CS(C)(=O)=O ZINC000860049148 655794103 /nfs/dbraw/zinc/79/41/03/655794103.db2.gz AVQVMLUHJCVHFE-ITGHMWBKSA-N 1 0 382.448 1.398 20 0 GDADRO C[C@H](CN(C)Cc1ccc(S(=O)(=O)N(C)C)o1)NC(=O)OC(C)(C)C ZINC000860097213 655794713 /nfs/dbraw/zinc/79/47/13/655794713.db2.gz GGJZPJSIPVEKPJ-GFCCVEGCSA-N 1 0 375.491 1.875 20 0 GDADRO CS[C@@H]1CN(C(=O)/C=C/c2ccc(S(C)(=O)=O)o2)C[C@@H]1[NH+]1CCCC1 ZINC000860786704 655808005 /nfs/dbraw/zinc/80/80/05/655808005.db2.gz FKAADIMELLYKIH-SJKUQHEZSA-N 1 0 384.523 1.735 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)CC1(Br)Br ZINC000861714380 655828795 /nfs/dbraw/zinc/82/87/95/655828795.db2.gz ACLDBQPLQSDZSM-JBLDHEPKSA-N 1 0 396.123 1.550 20 0 GDADRO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861719873 655829068 /nfs/dbraw/zinc/82/90/68/655829068.db2.gz QCFACXYJOHNWOR-VXGBXAGGSA-N 1 0 383.290 1.263 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)c4ncc(C=O)n4c3)C[C@@H]2C1 ZINC000861774492 655830319 /nfs/dbraw/zinc/83/03/19/655830319.db2.gz ZNYOXQVSQLWHPS-YPMHNXCESA-N 1 0 391.269 1.933 20 0 GDADRO O=Cc1cc(Br)cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000862228723 655842709 /nfs/dbraw/zinc/84/27/09/655842709.db2.gz WIJVTRWMKBWAQX-INIZCTEOSA-N 1 0 381.270 1.933 20 0 GDADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]CCN1CCCS1(=O)=O ZINC000862277352 655843807 /nfs/dbraw/zinc/84/38/07/655843807.db2.gz WSVRDVGJAKZIHN-GFCCVEGCSA-N 1 0 383.461 1.256 20 0 GDADRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862332938 655844456 /nfs/dbraw/zinc/84/44/56/655844456.db2.gz ZVLSGYJIQQIMPX-LSDHHAIUSA-N 1 0 378.535 1.815 20 0 GDADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862394116 655845784 /nfs/dbraw/zinc/84/57/84/655845784.db2.gz DKMXCMBBVLYMBV-KBPBESRZSA-N 1 0 378.535 1.814 20 0 GDADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000863034265 655860532 /nfs/dbraw/zinc/86/05/32/655860532.db2.gz IHMUONHWMDQPOQ-NSHDSACASA-N 1 0 389.880 1.873 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(F)cc1Cl ZINC000863450549 655873691 /nfs/dbraw/zinc/87/36/91/655873691.db2.gz MFXVIUMMATYLPO-MSRIBSCDSA-N 1 0 376.837 1.446 20 0 GDADRO C[C@@H]1[C@H]([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CCS1(=O)=O ZINC000863580393 655876380 /nfs/dbraw/zinc/87/63/80/655876380.db2.gz HWUCEQLCZAWZKB-CKEIUWERSA-N 1 0 376.519 1.304 20 0 GDADRO Cn1nc(I)cc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000864069016 655889234 /nfs/dbraw/zinc/88/92/34/655889234.db2.gz WTOAEGZWWKUITL-VIFPVBQESA-N 1 0 376.242 1.627 20 0 GDADRO C[NH+](C)CC1(O)CCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000864076089 655889498 /nfs/dbraw/zinc/88/94/98/655889498.db2.gz HBAKHGJZJBCFOX-LLVKDONJSA-N 1 0 398.139 1.798 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000864582343 655902715 /nfs/dbraw/zinc/90/27/15/655902715.db2.gz YDEUYWCHWIEWND-LBPRGKRZSA-N 1 0 395.305 1.721 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cn1ccc(Br)cc1=O ZINC000864957043 655908978 /nfs/dbraw/zinc/90/89/78/655908978.db2.gz RBNJBAYCMOTBCM-MRXNPFEDSA-N 1 0 392.297 1.900 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cn2ccnc12 ZINC000865059292 655911114 /nfs/dbraw/zinc/91/11/14/655911114.db2.gz MCCDTHKHMDIPTH-OLZOCXBDSA-N 1 0 379.258 1.690 20 0 GDADRO Cc1ccnc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1Br ZINC000865555543 655921848 /nfs/dbraw/zinc/92/18/48/655921848.db2.gz BNKRWLVALSSICJ-VXGBXAGGSA-N 1 0 376.320 1.960 20 0 GDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cn1ccc(Br)cc1=O ZINC000865560486 655922035 /nfs/dbraw/zinc/92/20/35/655922035.db2.gz AKMJWZKNYJWXGJ-UHFFFAOYSA-N 1 0 393.285 1.596 20 0 GDADRO O=C1OC[C@]2(C[NH2+]Cc3cnc4ccc(Br)cn34)COCCN12 ZINC000865768920 655926083 /nfs/dbraw/zinc/92/60/83/655926083.db2.gz CNJGGVQDKHMTLE-HNNXBMFYSA-N 1 0 381.230 1.408 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cc(Br)no2)CC1 ZINC000865916888 655929967 /nfs/dbraw/zinc/92/99/67/655929967.db2.gz WOCNWYGAICKCFP-UHFFFAOYSA-N 1 0 380.246 1.514 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(I)nn2C)[C@@H](C)C1 ZINC000866047697 655933839 /nfs/dbraw/zinc/93/38/39/655933839.db2.gz FVCQSRTVFJNUAI-WDEREUQCSA-N 1 0 390.269 1.827 20 0 GDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(I)nn2C)C1 ZINC000866185976 655935530 /nfs/dbraw/zinc/93/55/30/655935530.db2.gz NSRLWBGOMGSVOM-LLVKDONJSA-N 1 0 390.269 1.829 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(c3ncc(Br)cc3S(N)(=O)=O)CC[C@@H]21 ZINC000866205981 655936046 /nfs/dbraw/zinc/93/60/46/655936046.db2.gz PSAIKOJXPJOFSU-KOLCDFICSA-N 1 0 375.292 1.022 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(I)nn1C ZINC000866454744 655944118 /nfs/dbraw/zinc/94/41/18/655944118.db2.gz PNYLKUPCNTYOPC-JTQLQIEISA-N 1 0 394.257 1.111 20 0 GDADRO O=C1COC[C@@]2(C[NH2+][C@H]3CCc4c3cccc4Br)COCCN12 ZINC000866553137 655949092 /nfs/dbraw/zinc/94/90/92/655949092.db2.gz LEULCRBGKSRXJA-DOTOQJQBSA-N 1 0 381.270 1.654 20 0 GDADRO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc(Br)cc1F ZINC000866554889 655949371 /nfs/dbraw/zinc/94/93/71/655949371.db2.gz VFDXHCNERMYEOC-BZNIZROVSA-N 1 0 387.249 1.867 20 0 GDADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000866578509 655950307 /nfs/dbraw/zinc/95/03/07/655950307.db2.gz LJKORBMLFUDNMF-NSHDSACASA-N 1 0 383.495 1.731 20 0 GDADRO [NH3+][C@H]1CCCCCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1 ZINC000866669889 655952998 /nfs/dbraw/zinc/95/29/98/655952998.db2.gz AGILRNPWDQHDTL-LBPRGKRZSA-N 1 0 375.441 1.825 20 0 GDADRO C[C@]1(CS(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1(Cl)Cl ZINC000866711760 655956019 /nfs/dbraw/zinc/95/60/19/655956019.db2.gz NEEUUKSCNTWKLX-DGCLKSJQSA-N 1 0 386.345 1.077 20 0 GDADRO C[C@@H](c1ncc(Br)cn1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711113 655956037 /nfs/dbraw/zinc/95/60/37/655956037.db2.gz CFMCCOYTPDWOEA-SQNXGDPESA-N 1 0 382.262 1.167 20 0 GDADRO C[NH2+]CC1CCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC1 ZINC000866740257 655957797 /nfs/dbraw/zinc/95/77/97/655957797.db2.gz MCJNRZHIWXVEKJ-UHFFFAOYSA-N 1 0 379.404 1.808 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1Br ZINC000866744779 655958267 /nfs/dbraw/zinc/95/82/67/655958267.db2.gz TXEVCHLHKIEKKJ-GHMZBOCLSA-N 1 0 377.308 1.335 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000866766249 655960542 /nfs/dbraw/zinc/96/05/42/655960542.db2.gz MZBZVJIKTUPDNF-CYBMUJFWSA-N 1 0 377.304 1.957 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000866767240 655960844 /nfs/dbraw/zinc/96/08/44/655960844.db2.gz NJXURPXBDNJVKF-OWOHRZCZSA-N 1 0 377.507 1.471 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000866769407 655960954 /nfs/dbraw/zinc/96/09/54/655960954.db2.gz MMEWKLPPNZJTMX-LLVKDONJSA-N 1 0 379.404 1.998 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1Br ZINC000866769449 655961041 /nfs/dbraw/zinc/96/10/41/655961041.db2.gz KWNKUCSFZNRSRS-WDEREUQCSA-N 1 0 377.308 1.335 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2nc[nH]c2Br)CC[C@H]1C(F)(F)F ZINC000866779203 655962629 /nfs/dbraw/zinc/96/26/29/655962629.db2.gz JWEBUODASNSSFX-NKWVEPMBSA-N 1 0 391.213 1.320 20 0 GDADRO C[C@]1(CS(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1(Cl)Cl ZINC000866780432 655962940 /nfs/dbraw/zinc/96/29/40/655962940.db2.gz CSZWAFGWHLEWDI-UONOGXRCSA-N 1 0 385.357 1.991 20 0 GDADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)nc1F ZINC000866791905 655964227 /nfs/dbraw/zinc/96/42/27/655964227.db2.gz NJNRQNASNHUKKL-LBPRGKRZSA-N 1 0 377.869 1.796 20 0 GDADRO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000866810235 655966121 /nfs/dbraw/zinc/96/61/21/655966121.db2.gz SDTSAZYNQRIJFU-QDMKHBRRSA-N 1 0 386.539 1.516 20 0 GDADRO Cc1cc(S(=O)(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)sc1Cl ZINC000866817372 655966721 /nfs/dbraw/zinc/96/67/21/655966721.db2.gz SXHRMKQISQEJNG-MXWKQRLJSA-N 1 0 391.902 1.266 20 0 GDADRO COCCC1(NS(=O)(=O)c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000866821274 655967041 /nfs/dbraw/zinc/96/70/41/655967041.db2.gz XLVFQRNJZTVDEZ-UHFFFAOYSA-N 1 0 378.292 1.281 20 0 GDADRO O=S(=O)(c1cccc(I)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866828199 655967785 /nfs/dbraw/zinc/96/77/85/655967785.db2.gz VRCROXDQJVOYTD-OLZOCXBDSA-N 1 0 392.262 1.806 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1Br ZINC000866831057 655968052 /nfs/dbraw/zinc/96/80/52/655968052.db2.gz GFRWKFNUULFLKZ-CHWSQXEVSA-N 1 0 375.288 1.973 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cnn(C)c2Br)[C@H](C)C1 ZINC000866864686 655971694 /nfs/dbraw/zinc/97/16/94/655971694.db2.gz XJWVAHCQFMFDHT-GHMZBOCLSA-N 1 0 379.324 1.533 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2F)C1 ZINC000866903913 655975514 /nfs/dbraw/zinc/97/55/14/655975514.db2.gz GUJIXCLVXWYAIF-LBPRGKRZSA-N 1 0 379.885 1.996 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc3onc(Cl)c3c2)CC1 ZINC000866960856 655981870 /nfs/dbraw/zinc/98/18/70/655981870.db2.gz VDEFJPLWQHZWHE-UHFFFAOYSA-N 1 0 387.889 1.995 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1Br ZINC000866971953 655983189 /nfs/dbraw/zinc/98/31/89/655983189.db2.gz KNNPGMPZOWEYMI-QWRGUYRKSA-N 1 0 377.308 1.287 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(Br)n1 ZINC000866986511 655984485 /nfs/dbraw/zinc/98/44/85/655984485.db2.gz VJPJQWHMLANKBI-WDEREUQCSA-N 1 0 377.308 1.287 20 0 GDADRO CCS(=O)(CC)=NS(=O)(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000867036341 655989928 /nfs/dbraw/zinc/98/99/28/655989928.db2.gz WFPZJKCWEBEFEP-UHFFFAOYSA-N 1 0 397.607 1.809 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2nc[nH]c2Br)C[C@@H]1[NH+]1CCCC1 ZINC000867125390 655999154 /nfs/dbraw/zinc/99/91/54/655999154.db2.gz VEKSLXSFLAJLQV-UWVGGRQHSA-N 1 0 395.348 1.373 20 0 GDADRO CCOC(=O)N1CCC([C@@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000867131366 656000353 /nfs/dbraw/zinc/00/03/53/656000353.db2.gz SBTRTZLYBWFEKC-OAHLLOKOSA-N 1 0 375.535 1.649 20 0 GDADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cnn(C)c1Br ZINC000867172004 656006442 /nfs/dbraw/zinc/00/64/42/656006442.db2.gz NATKPJVCIFVXFY-UHFFFAOYSA-N 1 0 379.324 1.679 20 0 GDADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000867218466 656015807 /nfs/dbraw/zinc/01/58/07/656015807.db2.gz UANZMDPIOSAVHV-UHFFFAOYSA-N 1 0 386.836 1.789 20 0 GDADRO COC(=O)c1nc(Br)ccc1OS(=O)(=O)CCC[NH+](C)C ZINC000867286587 656031439 /nfs/dbraw/zinc/03/14/39/656031439.db2.gz AFNSDQQEBXULCJ-UHFFFAOYSA-N 1 0 381.248 1.291 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c(Br)o1 ZINC000867308074 656035335 /nfs/dbraw/zinc/03/53/35/656035335.db2.gz FXTKNGLNWIMCGS-DTWKUNHWSA-N 1 0 395.275 1.542 20 0 GDADRO C[N@H+](CCCCNS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000867378699 656049329 /nfs/dbraw/zinc/04/93/29/656049329.db2.gz XDMCVLAMARLLJC-UHFFFAOYSA-N 1 0 375.535 1.647 20 0 GDADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867470158 656066988 /nfs/dbraw/zinc/06/69/88/656066988.db2.gz VOKVITRFODIQDS-UHFFFAOYSA-N 1 0 383.290 1.405 20 0 GDADRO Cn1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)n1 ZINC000867496961 656070652 /nfs/dbraw/zinc/07/06/52/656070652.db2.gz NKRDTFPUBOPNAA-SNVBAGLBSA-N 1 0 379.324 1.581 20 0 GDADRO O=C(NCCSCCC(F)(F)F)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000867512283 656073874 /nfs/dbraw/zinc/07/38/74/656073874.db2.gz GETSFTYOGJAMPX-ZDUSSCGKSA-N 1 0 381.464 1.733 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Br)cn2)[C@H](C)C1 ZINC000867518147 656074958 /nfs/dbraw/zinc/07/49/58/656074958.db2.gz YCJOHVBKUYOQCS-IUODEOHRSA-N 1 0 397.317 1.649 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000867556731 656083008 /nfs/dbraw/zinc/08/30/08/656083008.db2.gz GLFVXTIISULAAO-CQSZACIVSA-N 1 0 375.535 1.790 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000867680582 656101762 /nfs/dbraw/zinc/10/17/62/656101762.db2.gz BQIMQHXWXMKGJS-UHFFFAOYSA-N 1 0 389.543 1.042 20 0 GDADRO Cn1cc(N2CCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)CC2)cn1 ZINC000867957843 656135716 /nfs/dbraw/zinc/13/57/16/656135716.db2.gz AJLRHTJFDDUOIK-HNNXBMFYSA-N 1 0 378.274 1.531 20 0 GDADRO CC(C)n1ncc(C(=O)NC[C@H]2CCC[NH2+]C2)c1I ZINC000867963805 656136022 /nfs/dbraw/zinc/13/60/22/656136022.db2.gz IHUPMZOXJRBMLH-JTQLQIEISA-N 1 0 376.242 1.798 20 0 GDADRO [NH3+][C@@H](C(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1cccc(Br)c1 ZINC000867985803 656137001 /nfs/dbraw/zinc/13/70/01/656137001.db2.gz OKVXBMXUOZQTTQ-LSDHHAIUSA-N 1 0 395.301 1.855 20 0 GDADRO [NH3+][C@H](C(=O)NCCN1C[C@H]2CCCCN2C1=O)c1cccc(Br)c1 ZINC000867985800 656137054 /nfs/dbraw/zinc/13/70/54/656137054.db2.gz OKVXBMXUOZQTTQ-CABCVRRESA-N 1 0 395.301 1.855 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c(I)cnn1C ZINC000868014057 656137536 /nfs/dbraw/zinc/13/75/36/656137536.db2.gz VMAHSUHWYBYHIV-JTQLQIEISA-N 1 0 391.257 1.308 20 0 GDADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000868231721 656145191 /nfs/dbraw/zinc/14/51/91/656145191.db2.gz CFCOHWBBNFIEAZ-GCSSGZNBSA-N 1 0 377.535 1.936 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868247572 656146009 /nfs/dbraw/zinc/14/60/09/656146009.db2.gz DKZVQYKCSNJQIV-ZETCQYMHSA-N 1 0 393.079 1.861 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000868253314 656146711 /nfs/dbraw/zinc/14/67/11/656146711.db2.gz RHVXBXQZJXUATE-SNVBAGLBSA-N 1 0 398.179 1.792 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000868304371 656149960 /nfs/dbraw/zinc/14/99/60/656149960.db2.gz JFUBXGUJXZVTTD-HOMQSWHASA-N 1 0 387.221 1.392 20 0 GDADRO CCOC(=O)CS[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C(F)(F)F ZINC000868365169 656152104 /nfs/dbraw/zinc/15/21/04/656152104.db2.gz CYJYADASGCVCOH-PWSUYJOCSA-N 1 0 383.436 1.750 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](COC)c2cccc(Br)c2)C1 ZINC000868386922 656153493 /nfs/dbraw/zinc/15/34/93/656153493.db2.gz KFJVOHKAWDIDMO-WFASDCNBSA-N 1 0 398.301 1.321 20 0 GDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868419467 656155066 /nfs/dbraw/zinc/15/50/66/656155066.db2.gz PKNDEQPYRGPNHF-JKSUJKDBSA-N 1 0 394.313 1.803 20 0 GDADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)cn2ccnc12 ZINC000868636902 656163484 /nfs/dbraw/zinc/16/34/84/656163484.db2.gz OQFKCKVGRVXAGD-ZDUSSCGKSA-N 1 0 381.274 1.673 20 0 GDADRO COc1cc(I)ccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000868732827 656167029 /nfs/dbraw/zinc/16/70/29/656167029.db2.gz VGVAHJWCDBMKHO-IMRBUKKESA-N 1 0 386.233 1.932 20 0 GDADRO O=C(NCC[NH+]1CCC(O)CC1)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000868758193 656167993 /nfs/dbraw/zinc/16/79/93/656167993.db2.gz NSSLHIOSIOQJCP-GVDBMIGSSA-N 1 0 379.298 1.908 20 0 GDADRO COCC(C)(C)[NH+]1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000868960718 656175552 /nfs/dbraw/zinc/17/55/52/656175552.db2.gz OFHHPSDUZZKSMI-UHFFFAOYSA-N 1 0 386.290 1.180 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ncc(Br)s1 ZINC000869196336 656185321 /nfs/dbraw/zinc/18/53/21/656185321.db2.gz JJVKGBOOYNASQF-VIFPVBQESA-N 1 0 390.307 1.167 20 0 GDADRO C[C@@H]1CN(C(=O)NCc2c(I)cnn2C)C[C@H](C)[N@H+]1C ZINC000869214537 656186325 /nfs/dbraw/zinc/18/63/25/656186325.db2.gz GQZITJJJNCTBIJ-AOOOYVTPSA-N 1 0 391.257 1.259 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCN(c2cnccn2)CC1)c1cccc(Br)c1 ZINC000870863609 656251101 /nfs/dbraw/zinc/25/11/01/656251101.db2.gz PVHWWWBWTRVZBM-OAHLLOKOSA-N 1 0 376.258 1.588 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)s1 ZINC000870882035 656251469 /nfs/dbraw/zinc/25/14/69/656251469.db2.gz TWELHIVMSDOFAG-IGCXYCKISA-N 1 0 385.555 1.565 20 0 GDADRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000870927035 656255962 /nfs/dbraw/zinc/25/59/62/656255962.db2.gz RYPDTLSCZZQTDN-CQSZACIVSA-N 1 0 376.507 1.985 20 0 GDADRO COc1cc(I)ccc1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000870938724 656256794 /nfs/dbraw/zinc/25/67/94/656256794.db2.gz UGNXGEAAJGNLNU-RNCFNFMXSA-N 1 0 390.221 1.488 20 0 GDADRO C[C@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CC[NH2+]CC1 ZINC000870987046 656259636 /nfs/dbraw/zinc/25/96/36/656259636.db2.gz GHADJJBTKUCFTR-VIFPVBQESA-N 1 0 382.258 1.898 20 0 GDADRO Cc1c(Br)cccc1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998704 656259804 /nfs/dbraw/zinc/25/98/04/656259804.db2.gz FVQXZYZBZSSHDN-GLQYFDAESA-N 1 0 394.269 1.765 20 0 GDADRO O=C(c1cc(Br)ccc1O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871002393 656259908 /nfs/dbraw/zinc/25/99/08/656259908.db2.gz NTJXUOZWVNQVDF-QKCSRTOESA-N 1 0 396.241 1.162 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@H](C[NH3+])c3ccccc32)c(Br)n1 ZINC000871596952 656274206 /nfs/dbraw/zinc/27/42/06/656274206.db2.gz HYRXVAGAGRNVGZ-JTQLQIEISA-N 1 0 385.287 1.824 20 0 GDADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(C(F)(F)F)cn1 ZINC000871810214 656280838 /nfs/dbraw/zinc/28/08/38/656280838.db2.gz KQCSFPIREWHHFX-LBPRGKRZSA-N 1 0 379.404 1.537 20 0 GDADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(C(F)(F)F)nc1 ZINC000871810425 656281032 /nfs/dbraw/zinc/28/10/32/656281032.db2.gz LUJHRBAXAKWCQD-LLVKDONJSA-N 1 0 379.404 1.537 20 0 GDADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)s1 ZINC000871811385 656281253 /nfs/dbraw/zinc/28/12/53/656281253.db2.gz WDVFSWRCSDNAOZ-SNVBAGLBSA-N 1 0 395.344 1.948 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cnc2c1Cl ZINC000871812703 656281747 /nfs/dbraw/zinc/28/17/47/656281747.db2.gz BTNKMNQUXHMWRP-WCBMZHEXSA-N 1 0 397.810 1.449 20 0 GDADRO COC(=O)c1ccc(F)cc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871813922 656282256 /nfs/dbraw/zinc/28/22/56/656282256.db2.gz LIGCFACHRHDLIS-KCJUWKMLSA-N 1 0 384.351 1.370 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1F ZINC000871814685 656283121 /nfs/dbraw/zinc/28/31/21/656283121.db2.gz WOKNFEDHEOSKHX-KCJUWKMLSA-N 1 0 384.351 1.370 20 0 GDADRO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871816512 656283562 /nfs/dbraw/zinc/28/35/62/656283562.db2.gz GHPVRHGEZPIABA-CABCVRRESA-N 1 0 392.930 1.448 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)C(F)(F)F ZINC000871820926 656283963 /nfs/dbraw/zinc/28/39/63/656283963.db2.gz XYDDKCUJHKVTDQ-JSGCOSHPSA-N 1 0 377.388 1.750 20 0 GDADRO CN(CCCCCC[NH3+])S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000871821252 656284019 /nfs/dbraw/zinc/28/40/19/656284019.db2.gz KXWKFPIQNZWYTC-UHFFFAOYSA-N 1 0 388.964 1.945 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000872006751 656317616 /nfs/dbraw/zinc/31/76/16/656317616.db2.gz TZRAXWQZZVECEM-JQWIXIFHSA-N 1 0 379.404 1.948 20 0 GDADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872185107 656319446 /nfs/dbraw/zinc/31/94/46/656319446.db2.gz HBBQZDHRJHTDQV-PSASIEDQSA-N 1 0 383.823 1.956 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000872208449 656320014 /nfs/dbraw/zinc/32/00/14/656320014.db2.gz XBVAKFNNZKBISW-BPLDGKMQSA-N 1 0 391.331 1.790 20 0 GDADRO CC(C)(O)C[C@H](O)C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 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O=C1O[C@H](CNS(=O)(=O)/C=C\c2cccc(Cl)c2)CC12CC[NH2+]CC2 ZINC000923684390 656585955 /nfs/dbraw/zinc/58/59/55/656585955.db2.gz OWRNUOSYWCOKNL-NOKKCYSASA-N 1 0 384.885 1.915 20 0 GDADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1cncc(Br)c1)CC2 ZINC000923686139 656587426 /nfs/dbraw/zinc/58/74/26/656587426.db2.gz HAZLIBBWBHNNCD-GFCCVEGCSA-N 1 0 390.303 1.363 20 0 GDADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CCNCC[NH2+]CC1 ZINC000923693061 656589926 /nfs/dbraw/zinc/58/99/26/656589926.db2.gz IVLXUODMBVWCLJ-UHFFFAOYSA-N 1 0 396.738 1.427 20 0 GDADRO [NH3+][C@]1(CO)CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000923696722 656591664 /nfs/dbraw/zinc/59/16/64/656591664.db2.gz ZIZKVOIHEIWKKW-GFCCVEGCSA-N 1 0 385.230 1.202 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cccc(I)c2)CC[C@H]1C[NH3+] ZINC000923698326 656592567 /nfs/dbraw/zinc/59/25/67/656592567.db2.gz FOSFLSDEZVGUQE-MNOVXSKESA-N 1 0 394.278 1.897 20 0 GDADRO C[C@@H]1CN(C(=O)NCc2ncc(Br)s2)[C@@H](C)C[N@@H+]1CCO ZINC000876283948 656593000 /nfs/dbraw/zinc/59/30/00/656593000.db2.gz 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SOWRRWLZGQJHRH-YGRLFVJLSA-N 1 0 378.853 1.650 20 0 GDADRO C[S@](=O)C1(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000876678290 656623460 /nfs/dbraw/zinc/62/34/60/656623460.db2.gz ZPUCLFHHTYZCAY-MYODQAERSA-N 1 0 379.309 1.644 20 0 GDADRO Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000876736339 656627617 /nfs/dbraw/zinc/62/76/17/656627617.db2.gz JPWXJUYWLPOAKH-LBPRGKRZSA-N 1 0 392.301 1.898 20 0 GDADRO Cn1nc(I)cc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000876868229 656636037 /nfs/dbraw/zinc/63/60/37/656636037.db2.gz AWLBLATXEDLMOT-GHMZBOCLSA-N 1 0 388.253 1.486 20 0 GDADRO COC[C@]1(C(=O)N[C@H](C)c2ccc(Br)cc2OC)C[NH2+]CCO1 ZINC000876889635 656637127 /nfs/dbraw/zinc/63/71/27/656637127.db2.gz PLFBDOWPDRNSDL-BZNIZROVSA-N 1 0 387.274 1.640 20 0 GDADRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000876892390 656637160 /nfs/dbraw/zinc/63/71/60/656637160.db2.gz BYORBNNUTSRANT-MRVWCRGKSA-N 1 0 384.249 1.396 20 0 GDADRO O=C(CCC12CC(C1)C[NH2+]2)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000876894101 656637446 /nfs/dbraw/zinc/63/74/46/656637446.db2.gz OYVMWZLMCHZKQQ-IBFVRDEOSA-N 1 0 392.297 1.981 20 0 GDADRO COC[C@]1(C(=O)N2CC3(CC3)c3ccc(Br)cc32)C[NH2+]CCO1 ZINC000877011169 656645786 /nfs/dbraw/zinc/64/57/86/656645786.db2.gz ZHRKHHSCHJWTPT-KRWDZBQOSA-N 1 0 381.270 1.832 20 0 GDADRO COc1cc(I)ccc1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877037943 656648292 /nfs/dbraw/zinc/64/82/92/656648292.db2.gz DKAOIAJYRDJRJV-SNVBAGLBSA-N 1 0 376.194 1.018 20 0 GDADRO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)[C@]12CCCO2 ZINC000877037944 656648329 /nfs/dbraw/zinc/64/83/29/656648329.db2.gz DMLSRQJNVXLFRU-IIAWOOMASA-N 1 0 382.473 1.567 20 0 GDADRO COc1cc(I)ccc1C(=O)N(C)CCOCC[NH3+] ZINC000877056456 656650567 /nfs/dbraw/zinc/65/05/67/656650567.db2.gz LXKCNRRVIMFIIF-UHFFFAOYSA-N 1 0 378.210 1.347 20 0 GDADRO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877096660 656652571 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1.428 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877288580 656664019 /nfs/dbraw/zinc/66/40/19/656664019.db2.gz OQHAUUSOWZBEPJ-ZIAGYGMSSA-N 1 0 392.253 1.398 20 0 GDADRO C[C@H](CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)n1cc(Br)cn1 ZINC000877328269 656667286 /nfs/dbraw/zinc/66/72/86/656667286.db2.gz HWAAGARGSUZYKC-TZMCWYRMSA-N 1 0 385.306 1.872 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)C[C@@H]1C(F)(F)F ZINC000877355835 656668974 /nfs/dbraw/zinc/66/89/74/656668974.db2.gz JVOACDUQPOMBQW-ZJUUUORDSA-N 1 0 385.433 1.012 20 0 GDADRO CCc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877359406 656669528 /nfs/dbraw/zinc/66/95/28/656669528.db2.gz SKUFXUDGAIBSQT-BXUZGUMPSA-N 1 0 378.416 1.862 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)C[C@H]1C(F)(F)F ZINC000877359162 656669575 /nfs/dbraw/zinc/66/95/75/656669575.db2.gz YYUVXGQXECEVCI-VPOLOUISSA-N 1 0 378.313 1.566 20 0 GDADRO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)CC(C)C ZINC000924609565 656669652 /nfs/dbraw/zinc/66/96/52/656669652.db2.gz BVPPTHVJAJPWMH-GOEBONIOSA-N 1 0 377.551 1.797 20 0 GDADRO CC(C)C(=O)Nc1nc(CC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1 ZINC000877359306 656669625 /nfs/dbraw/zinc/66/96/25/656669625.db2.gz HKTMBBRFEHLBCT-ONGXEEELSA-N 1 0 378.420 1.876 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877364990 656670433 /nfs/dbraw/zinc/67/04/33/656670433.db2.gz CDNOIESVPIUYJF-GZMMTYOYSA-N 1 0 399.822 1.457 20 0 GDADRO O=C(NCC[NH2+][C@H]1C(=O)NCC12CCOCC2)c1ccc(Br)cc1 ZINC000924730222 656672246 /nfs/dbraw/zinc/67/22/46/656672246.db2.gz CYBJGIGQBLJHQH-AWEZNQCLSA-N 1 0 396.285 1.064 20 0 GDADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C2 ZINC000877378865 656672607 /nfs/dbraw/zinc/67/26/07/656672607.db2.gz CQOGKJWXSDOPHO-JJRVBVJISA-N 1 0 383.539 1.359 20 0 GDADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@]12CCC[C@H]1[NH2+]CC2 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[NH3+][C@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[C@H]1C(F)(F)F ZINC000927848779 656844953 /nfs/dbraw/zinc/84/49/53/656844953.db2.gz KVWBUBPOZBRJST-BDAKNGLRSA-N 1 0 395.179 1.521 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[C@@H]1C(F)(F)F ZINC000927847833 656845025 /nfs/dbraw/zinc/84/50/25/656845025.db2.gz YABXZEBABAABFC-DTWKUNHWSA-N 1 0 395.179 1.521 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000927852151 656845407 /nfs/dbraw/zinc/84/54/07/656845407.db2.gz BQURYJKOZKUVLL-CYBMUJFWSA-N 1 0 384.274 1.982 20 0 GDADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000927878196 656848622 /nfs/dbraw/zinc/84/86/22/656848622.db2.gz GLIFKPYEEPAOMC-UHFFFAOYSA-N 1 0 384.933 1.800 20 0 GDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000927881245 656849170 /nfs/dbraw/zinc/84/91/70/656849170.db2.gz FBNAIMLXJJBXLE-HNNXBMFYSA-N 1 0 388.237 1.147 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000927885840 656850742 /nfs/dbraw/zinc/85/07/42/656850742.db2.gz DDXSFMPWUPYTRV-NSHDSACASA-N 1 0 384.274 1.902 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)cc1Br ZINC000927888872 656851350 /nfs/dbraw/zinc/85/13/50/656851350.db2.gz YGNAOZJPJFGSAF-NSHDSACASA-N 1 0 384.274 1.984 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(C(F)(F)Br)nc1 ZINC000879990581 656851532 /nfs/dbraw/zinc/85/15/32/656851532.db2.gz SMXVKQUBZRTIKV-LLVKDONJSA-N 1 0 378.217 1.712 20 0 GDADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879994119 656852284 /nfs/dbraw/zinc/85/22/84/656852284.db2.gz YREYBBQILNXJFV-CQSZACIVSA-N 1 0 399.285 1.603 20 0 GDADRO O=C(CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)Nc1cccc(Br)c1 ZINC000880070600 656865799 /nfs/dbraw/zinc/86/57/99/656865799.db2.gz RVPHCASQDPMJOO-JKSUJKDBSA-N 1 0 382.302 1.919 20 0 GDADRO C[C@H](Sc1ccccc1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C(N)=O ZINC000928083669 656868283 /nfs/dbraw/zinc/86/82/83/656868283.db2.gz AISCFPUXGBWTGL-AEGPPILISA-N 1 0 379.551 1.962 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cnn2cc(Br)cnc12 ZINC000928087623 656868651 /nfs/dbraw/zinc/86/86/51/656868651.db2.gz CWOXEOXOILEURV-OLZOCXBDSA-N 1 0 396.314 1.801 20 0 GDADRO O=C(CN1C(=O)CSc2ccccc21)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928096989 656872098 /nfs/dbraw/zinc/87/20/98/656872098.db2.gz ONERSZDUQPSGLT-UKRRQHHQSA-N 1 0 377.535 1.821 20 0 GDADRO CS(=O)(=O)Nc1cccc(CC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000928098265 656872328 /nfs/dbraw/zinc/87/23/28/656872328.db2.gz OARIHNKKGLXUDE-HZPDHXFCSA-N 1 0 383.539 1.297 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cs1)C(N)=O ZINC000880165738 656872492 /nfs/dbraw/zinc/87/24/92/656872492.db2.gz UJXWQLOQEQJENX-SJKOYZFVSA-N 1 0 382.555 1.596 20 0 GDADRO C[C@H](Sc1nc(CC(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cs1)C(N)=O ZINC000880165736 656872621 /nfs/dbraw/zinc/87/26/21/656872621.db2.gz UJXWQLOQEQJENX-SJCJKPOMSA-N 1 0 382.555 1.596 20 0 GDADRO CC[C@H](C)[NH+]1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 ZINC000880229923 656877966 /nfs/dbraw/zinc/87/79/66/656877966.db2.gz BKROMJWMQLOTFD-UONOGXRCSA-N 1 0 385.555 1.530 20 0 GDADRO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)nc1I ZINC000928440349 656901914 /nfs/dbraw/zinc/90/19/14/656901914.db2.gz LVTBTBNMSGYMQY-IUCAKERBSA-N 1 0 375.210 1.517 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000928449990 656902487 /nfs/dbraw/zinc/90/24/87/656902487.db2.gz AXBPSDRLRSWZMT-MFKMUULPSA-N 1 0 394.324 1.871 20 0 GDADRO C[C@H]1[C@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC[N@@H+]1C ZINC000928451049 656903312 /nfs/dbraw/zinc/90/33/12/656903312.db2.gz JMKUGLKGGSVLDV-IINYFYTJSA-N 1 0 394.269 1.644 20 0 GDADRO C[C@@H]([NH3+])c1cn(CC(=O)N(C)CCOc2ccc(Br)cc2)nn1 ZINC000881081726 656916635 /nfs/dbraw/zinc/91/66/35/656916635.db2.gz YBTMDMIAWTUGKQ-LLVKDONJSA-N 1 0 382.262 1.598 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)[C@H](C)C1 ZINC000881116263 656918353 /nfs/dbraw/zinc/91/83/53/656918353.db2.gz CSDVUPDMJPWTSZ-DGCLKSJQSA-N 1 0 386.543 1.808 20 0 GDADRO CN(CCC[NH3+])Cc1cn(C[C@H](O)c2ccc(F)c(Br)c2)nn1 ZINC000881417819 656935026 /nfs/dbraw/zinc/93/50/26/656935026.db2.gz OWZIBMDHQRSKSR-HNNXBMFYSA-N 1 0 386.269 1.694 20 0 GDADRO C[C@@](O)(Cn1cc(C[C@@H]([NH3+])CO)nn1)c1ccc(Br)cc1Cl ZINC000881425397 656936588 /nfs/dbraw/zinc/93/65/88/656936588.db2.gz XAWVABBLJOWGFC-QMTHXVAHSA-N 1 0 389.681 1.464 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2nc(Br)c3ccccn32)CC1 ZINC000929457088 656967610 /nfs/dbraw/zinc/96/76/10/656967610.db2.gz ALDISMMPSNSRLP-UHFFFAOYSA-N 1 0 380.290 1.416 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000929473065 656968577 /nfs/dbraw/zinc/96/85/77/656968577.db2.gz VWZFEYPOBCVHGJ-GFCCVEGCSA-N 1 0 386.290 1.234 20 0 GDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)CC[C@@H]2CC2(Cl)Cl)C1 ZINC000881855588 656972708 /nfs/dbraw/zinc/97/27/08/656972708.db2.gz TWTATQBBLCXDKY-VXGBXAGGSA-N 1 0 386.345 1.077 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000881856247 656973095 /nfs/dbraw/zinc/97/30/95/656973095.db2.gz GIVILNWETCOQPW-OYLFLEFRSA-N 1 0 386.543 1.405 20 0 GDADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000929633666 656976763 /nfs/dbraw/zinc/97/67/63/656976763.db2.gz ZINORYFOBFEFRT-XBFCOCLRSA-N 1 0 386.436 1.079 20 0 GDADRO CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929687599 656980196 /nfs/dbraw/zinc/98/01/96/656980196.db2.gz XKXUPXLNSOUVLG-PMPSAXMXSA-N 1 0 376.563 1.613 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000881956230 657002554 /nfs/dbraw/zinc/00/25/54/657002554.db2.gz QPFICWAKBDOOGD-ZDUSSCGKSA-N 1 0 394.321 1.493 20 0 GDADRO CCO[C@@H](CNC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1)C[NH+](C)C ZINC000930371694 657019734 /nfs/dbraw/zinc/01/97/34/657019734.db2.gz VIZPZGBIKYWEPF-AWEZNQCLSA-N 1 0 375.466 1.459 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882012032 657019680 /nfs/dbraw/zinc/01/96/80/657019680.db2.gz ITWVETAMPYBSDN-LLVKDONJSA-N 1 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382.555 1.644 20 0 GDADRO CC[C@@H](Sc1nc(CC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cs1)C(N)=O ZINC000884280094 657341625 /nfs/dbraw/zinc/34/16/25/657341625.db2.gz BGKQGXULPJRQNG-CXAGYDPISA-N 1 0 382.555 1.644 20 0 GDADRO O=c1cc(C[N@@H+]2CCCCCNC(=O)CC2)nc2ccc(Br)cn12 ZINC000934159009 657342313 /nfs/dbraw/zinc/34/23/13/657342313.db2.gz YYTGPEBTNSQBOW-UHFFFAOYSA-N 1 0 393.285 1.949 20 0 GDADRO [NH3+]CC[C@H](NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)C(F)F ZINC000884297713 657343629 /nfs/dbraw/zinc/34/36/29/657343629.db2.gz WEHOXPGCNFVJNF-QWRGUYRKSA-N 1 0 377.185 1.629 20 0 GDADRO COCC[C@@H]([NH3+])C(=O)NCCOc1ccc(I)cc1 ZINC000884325203 657346054 /nfs/dbraw/zinc/34/60/54/657346054.db2.gz LADWVLHWSPJEEN-GFCCVEGCSA-N 1 0 378.210 1.150 20 0 GDADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3nn4c(c3Br)CCC4)CC2)C1 ZINC000884342392 657348771 /nfs/dbraw/zinc/34/87/71/657348771.db2.gz ABSDYQPIPUZTTC-TZMCWYRMSA-N 1 0 397.317 1.950 20 0 GDADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934260867 657349136 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GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000884718161 657375101 /nfs/dbraw/zinc/37/51/01/657375101.db2.gz WEWHEQYKSHFBOT-TZMCWYRMSA-N 1 0 394.313 1.899 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CC[NH2+]1 ZINC000884718062 657375106 /nfs/dbraw/zinc/37/51/06/657375106.db2.gz UBRLUQUKPZEFFI-WCBMZHEXSA-N 1 0 378.782 1.627 20 0 GDADRO O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000884725767 657375960 /nfs/dbraw/zinc/37/59/60/657375960.db2.gz XADPCBYPPMBUFN-JTQLQIEISA-N 1 0 379.766 1.080 20 0 GDADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884791352 657379878 /nfs/dbraw/zinc/37/98/78/657379878.db2.gz UICFIFHABDUGNN-UHFFFAOYSA-N 1 0 376.766 1.238 20 0 GDADRO CN(C)C(=O)CCC[NH2+][C@@H](CO)c1ccccc1I ZINC000934827745 657380846 /nfs/dbraw/zinc/38/08/46/657380846.db2.gz IFPKNHUTUXPSJF-ZDUSSCGKSA-N 1 0 376.238 1.783 20 0 GDADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1S(=O)(=O)C(F)F ZINC000884955164 657389766 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20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ncc(Br)s3)C[C@@H]21 ZINC000885032563 657410998 /nfs/dbraw/zinc/41/09/98/657410998.db2.gz YZWPIPKPRKKJCU-LPEHRKFASA-N 1 0 387.303 1.108 20 0 GDADRO C[NH+](C)CCOCCNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000935261299 657418422 /nfs/dbraw/zinc/41/84/22/657418422.db2.gz YQZLMINDZBWHCP-LBPRGKRZSA-N 1 0 384.274 1.569 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CC[C@@H]1[NH3+] ZINC000885109384 657421635 /nfs/dbraw/zinc/42/16/35/657421635.db2.gz PJGWFCDLZVCVLA-KCJUWKMLSA-N 1 0 378.782 1.566 20 0 GDADRO C[C@H]1CCCN(C(=O)C(=O)NCCc2sccc2Br)[C@@H]1C[NH3+] ZINC000885210107 657428803 /nfs/dbraw/zinc/42/88/03/657428803.db2.gz JPDIVZAZNKXVLD-CMPLNLGQSA-N 1 0 388.331 1.755 20 0 GDADRO O=C(NCCc1sccc1Br)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000885210354 657429253 /nfs/dbraw/zinc/42/92/53/657429253.db2.gz RIAOMDBHEFYFQB-OAHLLOKOSA-N 1 0 386.315 1.381 20 0 GDADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)C(=O)NCc3cscc3Cl)CC2)C1 ZINC000885235671 657432501 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COCCOc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1Br ZINC000886882031 657715203 /nfs/dbraw/zinc/71/52/03/657715203.db2.gz BTKMEHGQZJTIPR-LLVKDONJSA-N 1 0 393.303 1.505 20 0 GDADRO COCCOc1ccc(S(=O)(=O)NC(C)(C)C[NH3+])cc1Br ZINC000886882659 657715864 /nfs/dbraw/zinc/71/58/64/657715864.db2.gz ZVDGVRQPTGAZEA-UHFFFAOYSA-N 1 0 381.292 1.490 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncc(Cl)s1)C12CC[NH+](CC1)C2 ZINC001004402107 657717502 /nfs/dbraw/zinc/71/75/02/657717502.db2.gz ZKQJOQHSOCAUNX-UTUOFQBUSA-N 1 0 380.901 1.754 20 0 GDADRO COCCOc1ccc(S(=O)(=O)NC(C)(C)CC[NH3+])cc1Br ZINC000886887982 657718195 /nfs/dbraw/zinc/71/81/95/657718195.db2.gz NNWGNHHFTDAAGY-UHFFFAOYSA-N 1 0 395.319 1.880 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000886896369 657722399 /nfs/dbraw/zinc/72/23/99/657722399.db2.gz HNTUYVOJILJVNH-SNVBAGLBSA-N 1 0 378.397 1.005 20 0 GDADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)s1 ZINC000886896416 657722502 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GDADRO COC(=O)c1c(C)csc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000887035663 657741345 /nfs/dbraw/zinc/74/13/45/657741345.db2.gz UMZLCAZRZDCONZ-VIFPVBQESA-N 1 0 375.397 1.143 20 0 GDADRO COC(=O)c1scc(C)c1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000887035473 657741361 /nfs/dbraw/zinc/74/13/61/657741361.db2.gz PBNYOIYNNZXGFC-VIFPVBQESA-N 1 0 375.397 1.143 20 0 GDADRO COc1c(C)cc(Cl)cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000887037142 657741840 /nfs/dbraw/zinc/74/18/40/657741840.db2.gz VTFMKMZHKSLJSO-JTQLQIEISA-N 1 0 375.803 1.957 20 0 GDADRO CNC(=O)C1([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000887083151 657753299 /nfs/dbraw/zinc/75/32/99/657753299.db2.gz RNEZCLAYJOBPOX-LLVKDONJSA-N 1 0 377.268 1.618 20 0 GDADRO [NH3+][C@H]1CCCN(Cc2cn(C[C@H](O)c3ccc(Br)cc3)nn2)C1 ZINC000887425278 657782019 /nfs/dbraw/zinc/78/20/19/657782019.db2.gz SKOHPWCYWPSWPI-HOCLYGCPSA-N 1 0 380.290 1.697 20 0 GDADRO CC[NH+](CC)CCn1cc(-c2nc([C@H]3CCS(=O)(=O)C3)sc2C)nn1 ZINC000887540023 657790946 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O=C(c1cc(Br)cn2ncnc12)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889742304 658026161 /nfs/dbraw/zinc/02/61/61/658026161.db2.gz JAHSRDLFCNTVAN-KGLIPLIRSA-N 1 0 394.273 1.163 20 0 GDADRO COc1ncc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1Br ZINC000889749984 658029458 /nfs/dbraw/zinc/02/94/58/658029458.db2.gz NVQMZYAISDPISW-ZIAGYGMSSA-N 1 0 384.274 1.524 20 0 GDADRO O=C(c1cn2c(Br)cnc2s1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889749798 658029581 /nfs/dbraw/zinc/02/95/81/658029581.db2.gz JMKIBZNWERNDHK-GHMZBOCLSA-N 1 0 399.314 1.830 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889755840 658032668 /nfs/dbraw/zinc/03/26/68/658032668.db2.gz KTVRSCAQZVSQEQ-KBPBESRZSA-N 1 0 384.274 1.529 20 0 GDADRO O=C(COc1ccc(Br)cc1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889783271 658037834 /nfs/dbraw/zinc/03/78/34/658037834.db2.gz XORUFORRELOFLU-CVEARBPZSA-N 1 0 383.286 1.886 20 0 GDADRO C[NH+](C)CCCOC1CCN(C(=O)NCC[C@@H]2CCCS2(=O)=O)CC1 ZINC000889825284 658060258 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C[C@@H]1C[C@@H](NC(=O)Cn2nc(Br)c(Br)n2)CC[N@@H+]1C ZINC000900829960 659151228 /nfs/dbraw/zinc/15/12/28/659151228.db2.gz FMTYTSQSPJNCOR-SFYZADRCSA-N 1 0 395.099 1.402 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2cc3ncc(Br)cn3n2)CCSC1 ZINC000900946382 659172834 /nfs/dbraw/zinc/17/28/34/659172834.db2.gz QWBCPKFYXIIMIX-CQSZACIVSA-N 1 0 384.303 1.659 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cnc(CC2CC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000900980557 659176640 /nfs/dbraw/zinc/17/66/40/659176640.db2.gz MRGMDIMQFYHFDB-AWEZNQCLSA-N 1 0 385.555 1.677 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3csc(N)n3)CC2)cc1 ZINC000902499338 659258204 /nfs/dbraw/zinc/25/82/04/659258204.db2.gz NSBSNGDGTPKNHH-UHFFFAOYSA-N 1 0 382.511 1.677 20 0 GDADRO C[C@H]1[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C ZINC000902885429 659282622 /nfs/dbraw/zinc/28/26/22/659282622.db2.gz ADRAWIGMFAFAGU-ZNMIVQPWSA-N 1 0 375.535 1.788 20 0 GDADRO O=C(c1nc2ccc(Br)cn2n1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000903035806 659291714 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397.465 1.537 20 0 GDADRO O=C(c1ccccc1I)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903432887 659315233 /nfs/dbraw/zinc/31/52/33/659315233.db2.gz PHNDQRXGQKFFSY-CYBMUJFWSA-N 1 0 399.276 1.801 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)C[C@@H]1C(F)(F)F ZINC000903515489 659323836 /nfs/dbraw/zinc/32/38/36/659323836.db2.gz PIPLTCOFUHJMED-XCBNKYQSSA-N 1 0 382.795 1.974 20 0 GDADRO [NH3+]CC1(CCNS(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC1 ZINC000903521684 659327575 /nfs/dbraw/zinc/32/75/75/659327575.db2.gz CJSOHCXBWOGIGC-UHFFFAOYSA-N 1 0 391.287 1.726 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903535155 659332120 /nfs/dbraw/zinc/33/21/20/659332120.db2.gz MMUPLFWKDOWMQN-AGIUHOORSA-N 1 0 376.906 1.888 20 0 GDADRO COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903535944 659332409 /nfs/dbraw/zinc/33/24/09/659332409.db2.gz UAAAVVIWIPDZRF-BDAKNGLRSA-N 1 0 381.267 1.731 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903538940 659333298 /nfs/dbraw/zinc/33/32/98/659333298.db2.gz IAWLMXOVFIYXQF-ZJUUUORDSA-N 1 0 380.388 1.626 20 0 GDADRO CS(=O)(=O)N(CCN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000903541405 659334304 /nfs/dbraw/zinc/33/43/04/659334304.db2.gz VNRSEUMZNKFBFM-CABCVRRESA-N 1 0 379.448 1.660 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ncccc1Br ZINC000903544425 659335284 /nfs/dbraw/zinc/33/52/84/659335284.db2.gz RVNZKRYWAIVDGG-LLVKDONJSA-N 1 0 390.303 1.281 20 0 GDADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1c[nH]c2nccc(Cl)c12 ZINC000903544665 659335680 /nfs/dbraw/zinc/33/56/80/659335680.db2.gz DTINYABVXGOFRB-LLVKDONJSA-N 1 0 384.889 1.653 20 0 GDADRO COc1cc(F)c(S(=O)(=O)N2CC[NH2+]CCC23CCOCC3)c(F)c1 ZINC000903547414 659336704 /nfs/dbraw/zinc/33/67/04/659336704.db2.gz LXMMXTDMLNLZNK-UHFFFAOYSA-N 1 0 376.425 1.507 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903548594 659337088 /nfs/dbraw/zinc/33/70/88/659337088.db2.gz HDJCMHWOTAFGKR-ZYHUDNBSSA-N 1 0 389.905 1.831 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)Cc1cc(F)ccc1Cl)C2 ZINC000903552960 659338862 /nfs/dbraw/zinc/33/88/62/659338862.db2.gz YECYNCOYDMJFEG-GHJWDPDVSA-N 1 0 390.864 1.521 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)c2cccc(I)c2)C[C@H]1CC[NH3+] ZINC000903552357 659338934 /nfs/dbraw/zinc/33/89/34/659338934.db2.gz DWQOHSBTUPXHTJ-GHMZBOCLSA-N 1 0 394.278 1.897 20 0 GDADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903564357 659342551 /nfs/dbraw/zinc/34/25/51/659342551.db2.gz XLQYCXMPOBOHEF-ADEWGFFLSA-N 1 0 375.288 1.937 20 0 GDADRO [NH3+]C1CCN(CCNS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000903565021 659342615 /nfs/dbraw/zinc/34/26/15/659342615.db2.gz CKYUBOWGRYAULR-UHFFFAOYSA-N 1 0 380.283 1.290 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)NC[C@@H]2CCCCC[NH2+]2)c1)C(F)(F)F ZINC000903565533 659343120 /nfs/dbraw/zinc/34/31/20/659343120.db2.gz ZTAHGEFZJNLVQH-LBPRGKRZSA-N 1 0 379.404 1.998 20 0 GDADRO CCCOC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903570300 659344192 /nfs/dbraw/zinc/34/41/92/659344192.db2.gz AISLULLCAFIKIC-CHWSQXEVSA-N 1 0 380.388 1.764 20 0 GDADRO [NH3+][C@H]1CN(S(=O)(=O)c2ncccc2Br)CC[C@@H]1C(F)(F)F ZINC000903578147 659348973 /nfs/dbraw/zinc/34/89/73/659348973.db2.gz CHCGOIIEHWQDIH-CBAPKCEASA-N 1 0 388.209 1.744 20 0 GDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)s1 ZINC000903578222 659349241 /nfs/dbraw/zinc/34/92/41/659349241.db2.gz DEDHZSHTOFOEIS-NEPJUHHUSA-N 1 0 399.460 1.327 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Br)cc3c1OCC3)C2 ZINC000903578686 659349479 /nfs/dbraw/zinc/34/94/79/659349479.db2.gz DPBPZAOLZINUEE-BIMULSAOSA-N 1 0 387.299 1.884 20 0 GDADRO COC(=O)c1c(C)cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903578969 659349913 /nfs/dbraw/zinc/34/99/13/659349913.db2.gz KZAIYVLAPZEUKR-QWRGUYRKSA-N 1 0 380.388 1.682 20 0 GDADRO CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)s1 ZINC000903580131 659351162 /nfs/dbraw/zinc/35/11/62/659351162.db2.gz SGSLRZQEEVMASQ-GHMZBOCLSA-N 1 0 385.433 1.284 20 0 GDADRO COC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1C ZINC000903580589 659351570 /nfs/dbraw/zinc/35/15/70/659351570.db2.gz VYHDEKVUHBRKBJ-RYUDHWBXSA-N 1 0 380.388 1.682 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2cccc(I)c2)C[C@@H]1[NH3+] ZINC000903585049 659353715 /nfs/dbraw/zinc/35/37/15/659353715.db2.gz WJOKRSZLSBKBCD-NSHDSACASA-N 1 0 380.251 1.649 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Br)ccc1C(=O)OC ZINC000903590850 659356360 /nfs/dbraw/zinc/35/63/60/659356360.db2.gz AXKGPKFDOFBLSO-UHFFFAOYSA-N 1 0 393.303 1.854 20 0 GDADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000903590693 659356393 /nfs/dbraw/zinc/35/63/93/659356393.db2.gz YQAMIMTXHHUNKF-IINYFYTJSA-N 1 0 380.438 1.185 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)ccc1Cl ZINC000903593408 659357146 /nfs/dbraw/zinc/35/71/46/659357146.db2.gz MMQMGNLEPRDWTJ-AWEZNQCLSA-N 1 0 378.903 1.260 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(I)s3)C[C@H]21 ZINC000903644055 659366796 /nfs/dbraw/zinc/36/67/96/659366796.db2.gz DCTHAPVCBRLDNW-VROVMSAKSA-N 1 0 398.291 1.533 20 0 GDADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903719165 659377757 /nfs/dbraw/zinc/37/77/57/659377757.db2.gz IHPCKIXVOJTDSP-QWRGUYRKSA-N 1 0 378.782 1.432 20 0 GDADRO C[C@H](CN(C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1)c1nccs1 ZINC000903750693 659378740 /nfs/dbraw/zinc/37/87/40/659378740.db2.gz QTLBMUFKQNJWRE-MXWKQRLJSA-N 1 0 378.420 1.443 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903756245 659378995 /nfs/dbraw/zinc/37/89/95/659378995.db2.gz KRHUANKBRZOCJZ-ZDUSSCGKSA-N 1 0 386.265 1.742 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C[C@H]1[NH3+] ZINC000903800435 659381508 /nfs/dbraw/zinc/38/15/08/659381508.db2.gz IUSUXKNZUIFDME-ZIAGYGMSSA-N 1 0 395.301 1.703 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1Cc1nnnn1-c1ccccc1Br ZINC000903837004 659383330 /nfs/dbraw/zinc/38/33/30/659383330.db2.gz ZNEPRXBZVGQKCZ-GFCCVEGCSA-N 1 0 381.278 1.235 20 0 GDADRO COCC[C@H]1C[NH2+]CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000903839506 659383627 /nfs/dbraw/zinc/38/36/27/659383627.db2.gz MGLBQHIODUAQRT-LSDHHAIUSA-N 1 0 391.281 1.638 20 0 GDADRO COc1nc(N2CCN(C[C@H]([NH3+])CC(F)F)CC2)ncc1Br ZINC000903904458 659389343 /nfs/dbraw/zinc/38/93/43/659389343.db2.gz VSAZPXXMAFSRJZ-SECBINFHSA-N 1 0 380.237 1.352 20 0 GDADRO COc1cc(CNC[C@@H]2C[NH2+]CCC2(F)F)cc(Cl)c1OCC(N)=O ZINC000903958354 659389780 /nfs/dbraw/zinc/38/97/80/659389780.db2.gz YJBNHDMJXCJASE-NSHDSACASA-N 1 0 377.819 1.547 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000903968937 659390881 /nfs/dbraw/zinc/39/08/81/659390881.db2.gz QTPGYDFILFBATD-LBPRGKRZSA-N 1 0 384.395 1.633 20 0 GDADRO CCOc1cc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)ccc1OC(F)F ZINC000903968914 659390915 /nfs/dbraw/zinc/39/09/15/659390915.db2.gz QERXLMGZMDGDMF-CYBMUJFWSA-N 1 0 378.441 1.553 20 0 GDADRO C[NH+]1CCC(OCC(=O)N2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000904054608 659393962 /nfs/dbraw/zinc/39/39/62/659393962.db2.gz HURXBSKWZHYWAH-UHFFFAOYSA-N 1 0 382.258 1.845 20 0 GDADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904969641 659415255 /nfs/dbraw/zinc/41/52/55/659415255.db2.gz JYVCGEVXHUHUJI-UHFFFAOYSA-N 1 0 388.295 1.918 20 0 GDADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)CC1 ZINC000904968077 659415288 /nfs/dbraw/zinc/41/52/88/659415288.db2.gz GBLMAMGVVDJEDE-GFCCVEGCSA-N 1 0 381.464 1.716 20 0 GDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905006543 659416817 /nfs/dbraw/zinc/41/68/17/659416817.db2.gz IVULKBQBSJESPU-XHDPSFHLSA-N 1 0 386.315 1.809 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905010832 659417062 /nfs/dbraw/zinc/41/70/62/659417062.db2.gz UWAYNWXUWJHUBN-SJKOYZFVSA-N 1 0 398.276 1.886 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CCC2(O)CCC2)s1 ZINC000905029923 659417584 /nfs/dbraw/zinc/41/75/84/659417584.db2.gz DOVDQUNVAVKAGV-AWEZNQCLSA-N 1 0 390.571 1.924 20 0 GDADRO CNS(=O)(=O)Cc1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)cc1 ZINC000905029156 659417771 /nfs/dbraw/zinc/41/77/71/659417771.db2.gz ZKFBLMCBEUJFOV-GFCCVEGCSA-N 1 0 390.374 1.774 20 0 GDADRO C[C@@](O)(C[NH2+]CCNS(=O)(=O)Cc1ccccc1)C(F)(F)C(F)(F)F ZINC000905035829 659418123 /nfs/dbraw/zinc/41/81/23/659418123.db2.gz QGBAEEZWDYVJTF-GFCCVEGCSA-N 1 0 390.374 1.644 20 0 GDADRO C[C@H](CN1CCCCC1)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905037591 659418268 /nfs/dbraw/zinc/41/82/68/659418268.db2.gz YTBHAJCJQOSARC-HZPDHXFCSA-N 1 0 375.579 1.452 20 0 GDADRO O[C@@H](C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)C1(O)CCOCC1 ZINC000905067699 659420275 /nfs/dbraw/zinc/42/02/75/659420275.db2.gz HPMWILQOXOULIW-YOEHRIQHSA-N 1 0 399.329 1.767 20 0 GDADRO CCN1CCCC[C@H]1C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905105499 659424574 /nfs/dbraw/zinc/42/45/74/659424574.db2.gz KUNVGYCRFIOMKP-HOTGVXAUSA-N 1 0 375.579 1.452 20 0 GDADRO CC[C@@](O)(C[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)C(F)(F)F ZINC000905128862 659425714 /nfs/dbraw/zinc/42/57/14/659425714.db2.gz VRGVAWVZEFFVRS-CQSZACIVSA-N 1 0 388.452 1.253 20 0 GDADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)CC2(O)CCCC2)c(C)s1 ZINC000905174646 659429859 /nfs/dbraw/zinc/42/98/59/659429859.db2.gz FHBFAVHHEBHWOF-AWEZNQCLSA-N 1 0 376.544 1.289 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1)c1cccs1 ZINC000905180557 659430193 /nfs/dbraw/zinc/43/01/93/659430193.db2.gz KPIYAJYIFVJAOX-HOTGVXAUSA-N 1 0 384.523 1.491 20 0 GDADRO O[C@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1(O)CCOCC1 ZINC000905236737 659435782 /nfs/dbraw/zinc/43/57/82/659435782.db2.gz FPKDRKYXFDDEKH-MRXNPFEDSA-N 1 0 396.285 1.627 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@H](O)CC1(O)CCCC1)c1ccc(F)cc1Cl ZINC000905255499 659437355 /nfs/dbraw/zinc/43/73/55/659437355.db2.gz STEHUHQZWHFFHV-CYBMUJFWSA-N 1 0 394.896 1.403 20 0 GDADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]C[C@@H]2CCOC(C)(C)C2)CCC1 ZINC000905279486 659439189 /nfs/dbraw/zinc/43/91/89/659439189.db2.gz JKQWGMIYASROMY-CABCVRRESA-N 1 0 376.563 1.783 20 0 GDADRO Cn1ncc(S(=O)(=O)N2C[C@@H](CC[NH3+])c3ccccc32)c1Br ZINC000905344105 659444833 /nfs/dbraw/zinc/44/48/33/659444833.db2.gz WFDZUQHMYDNKPS-SNVBAGLBSA-N 1 0 385.287 1.824 20 0 GDADRO Cn1ncc(S(=O)(=O)N2C[C@H](CC[NH3+])c3ccccc32)c1Br ZINC000905344103 659444928 /nfs/dbraw/zinc/44/49/28/659444928.db2.gz WFDZUQHMYDNKPS-JTQLQIEISA-N 1 0 385.287 1.824 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1C(F)(F)F ZINC000905356290 659446696 /nfs/dbraw/zinc/44/66/96/659446696.db2.gz MLEGVEQUHBUMSZ-LBPRGKRZSA-N 1 0 380.436 1.838 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]C2(C)C)s1 ZINC000905357443 659446717 /nfs/dbraw/zinc/44/67/17/659446717.db2.gz MPTSRLPHZHVARU-VIFPVBQESA-N 1 0 397.316 1.716 20 0 GDADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000905360499 659447140 /nfs/dbraw/zinc/44/71/40/659447140.db2.gz BQLWHIOHGVHQMK-AWEZNQCLSA-N 1 0 375.897 1.977 20 0 GDADRO OC[C@H](C[NH2+]C[C@H](O)C1(O)CCC1)Cc1ccc(F)c(Br)c1 ZINC000905373921 659449064 /nfs/dbraw/zinc/44/90/64/659449064.db2.gz RXILCDVASCQZAP-WFASDCNBSA-N 1 0 376.266 1.605 20 0 GDADRO OC[C@@H](C[NH2+]C[C@H](O)C1(O)CCC1)Cc1cc(Br)ccc1F ZINC000905373939 659449141 /nfs/dbraw/zinc/44/91/41/659449141.db2.gz SXBKEBJUUPLPCK-ABAIWWIYSA-N 1 0 376.266 1.605 20 0 GDADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000905451094 659454067 /nfs/dbraw/zinc/45/40/67/659454067.db2.gz DNVCFAACMFZLPG-YRGRVCCFSA-N 1 0 378.288 1.354 20 0 GDADRO O[C@H](C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1)COc1cc(F)cc(Br)c1 ZINC000905469548 659455733 /nfs/dbraw/zinc/45/57/33/659455733.db2.gz ZOQHCGCGGRRGCJ-LUYZLQTOSA-N 1 0 392.265 1.582 20 0 GDADRO CO[C@]1(C[NH2+]C[C@H](O)COc2cc(C)ccc2Cl)CCS(=O)(=O)C1 ZINC000905550720 659463836 /nfs/dbraw/zinc/46/38/36/659463836.db2.gz BTNJZFPFPGYDRZ-BBRMVZONSA-N 1 0 377.890 1.181 20 0 GDADRO CO[C@]1(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCS(=O)(=O)C1 ZINC000905559117 659465441 /nfs/dbraw/zinc/46/54/41/659465441.db2.gz VCSXUFNVJKKZOK-KGLIPLIRSA-N 1 0 396.278 1.415 20 0 GDADRO Cn1nnc2c1C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)CC2 ZINC000905635725 659470600 /nfs/dbraw/zinc/47/06/00/659470600.db2.gz ZZZAZPMBEOJMNU-CHWSQXEVSA-N 1 0 381.274 1.464 20 0 GDADRO O[C@H](C[NH2+]Cc1cnc2n1CCOC2)COc1cccc(Br)c1 ZINC000905701038 659477185 /nfs/dbraw/zinc/47/71/85/659477185.db2.gz XXTDLKAKOQGOIY-CQSZACIVSA-N 1 0 382.258 1.705 20 0 GDADRO [NH3+]C1CCN(Cc2cn(C[C@H](O)c3ccc(F)c(Br)c3)nn2)CC1 ZINC000905815237 659484554 /nfs/dbraw/zinc/48/45/54/659484554.db2.gz JDZCUGYZPCJYEH-INIZCTEOSA-N 1 0 398.280 1.836 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cn(C2CC2)c1=O ZINC000906459674 659543443 /nfs/dbraw/zinc/54/34/43/659543443.db2.gz NRDHILXDVOMWIJ-KGLIPLIRSA-N 1 0 396.285 1.539 20 0 GDADRO O=C(c1cccn2ncc(Br)c12)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000906601702 659559652 /nfs/dbraw/zinc/55/96/52/659559652.db2.gz JIGRZDPZTJHNPH-GJZGRUSLSA-N 1 0 393.285 1.768 20 0 GDADRO COCCOc1ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc1Br ZINC000906682310 659570325 /nfs/dbraw/zinc/57/03/25/659570325.db2.gz OJQUCDDDQLODJC-JTQLQIEISA-N 1 0 388.262 1.218 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906724502 659576267 /nfs/dbraw/zinc/57/62/67/659576267.db2.gz IKYSJICEZYEVIW-GRYCIOLGSA-N 1 0 382.258 1.714 20 0 GDADRO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000906739406 659578237 /nfs/dbraw/zinc/57/82/37/659578237.db2.gz KRCDAQQFFWCPTD-XWEPSHTISA-N 1 0 390.665 1.903 20 0 GDADRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000906746763 659580355 /nfs/dbraw/zinc/58/03/55/659580355.db2.gz DFNKKEIHCWKNCQ-CYBMUJFWSA-N 1 0 384.274 1.533 20 0 GDADRO O=C(Nc1cccc(I)c1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906757109 659582552 /nfs/dbraw/zinc/58/25/52/659582552.db2.gz NFVQJUOMCVWCAG-OAHLLOKOSA-N 1 0 399.232 1.584 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)c2nscc2I)CCSC1 ZINC000906903359 659613494 /nfs/dbraw/zinc/61/34/94/659613494.db2.gz WEZNIASWSGCALT-LLVKDONJSA-N 1 0 397.307 1.915 20 0 GDADRO O=C(c1cccn2ncc(Br)c12)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000906917081 659617869 /nfs/dbraw/zinc/61/78/69/659617869.db2.gz FKSODRPRBNSWEO-CYBMUJFWSA-N 1 0 393.285 1.891 20 0 GDADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccn2ncc(Br)c12 ZINC000907069618 659658914 /nfs/dbraw/zinc/65/89/14/659658914.db2.gz XLDJZMVNVPDVOL-GFCCVEGCSA-N 1 0 381.274 1.673 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)oc1Cl ZINC000907074784 659660830 /nfs/dbraw/zinc/66/08/30/659660830.db2.gz BRDKHDSJINNEMF-ZJUUUORDSA-N 1 0 382.891 1.386 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)oc1Cl ZINC000907083461 659663585 /nfs/dbraw/zinc/66/35/85/659663585.db2.gz WGSYOCDFEMQBRS-UHFFFAOYSA-N 1 0 376.862 1.969 20 0 GDADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N3CCCOCC3)C2)s1 ZINC000907346426 659732538 /nfs/dbraw/zinc/73/25/38/659732538.db2.gz MFPIGQCMZLCQDS-MRXNPFEDSA-N 1 0 387.571 1.777 20 0 GDADRO CCN([C@@H]1CCN(CC(F)(F)F)C1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000907362992 659736835 /nfs/dbraw/zinc/73/68/35/659736835.db2.gz VKFDFVFKPCYJRQ-CABCVRRESA-N 1 0 383.480 1.761 20 0 GDADRO COC1(C(F)(F)F)CN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000907809756 659833953 /nfs/dbraw/zinc/83/39/53/659833953.db2.gz BHOADAJESSJBRL-UHFFFAOYSA-N 1 0 384.424 1.013 20 0 GDADRO C[NH+](C)C1CC(NC(=O)CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000908011532 659853970 /nfs/dbraw/zinc/85/39/70/659853970.db2.gz GKPDHWOYEAXKIS-UHFFFAOYSA-N 1 0 389.315 1.822 20 0 GDADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000908020517 659856469 /nfs/dbraw/zinc/85/64/69/659856469.db2.gz JBOFIXZSPCDGCB-BBRMVZONSA-N 1 0 387.249 1.985 20 0 GDADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000908083706 659866738 /nfs/dbraw/zinc/86/67/38/659866738.db2.gz MPSIHAMCZZLGLK-WBVHZDCISA-N 1 0 382.302 1.553 20 0 GDADRO CO[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccc(Br)s1 ZINC000908203397 659882033 /nfs/dbraw/zinc/88/20/33/659882033.db2.gz QZPFYFSLOHUETE-SUNKGSAMSA-N 1 0 389.315 1.866 20 0 GDADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908204009 659882462 /nfs/dbraw/zinc/88/24/62/659882462.db2.gz TVNYEONLAXCCSN-UONOGXRCSA-N 1 0 396.285 1.227 20 0 GDADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908204008 659882588 /nfs/dbraw/zinc/88/25/88/659882588.db2.gz TVNYEONLAXCCSN-KGLIPLIRSA-N 1 0 396.285 1.227 20 0 GDADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)C1 ZINC000908332535 659898861 /nfs/dbraw/zinc/89/88/61/659898861.db2.gz QDZFXWBWALMFCI-YOEHRIQHSA-N 1 0 398.301 1.671 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC000908356666 659900770 /nfs/dbraw/zinc/90/07/70/659900770.db2.gz YKMKTZFMNIBOJS-PBHICJAKSA-N 1 0 375.535 1.647 20 0 GDADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1nscc1I ZINC000908539639 659923969 /nfs/dbraw/zinc/92/39/69/659923969.db2.gz CZLVNXPRKQFXFM-VIFPVBQESA-N 1 0 395.266 1.324 20 0 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375.535 1.647 20 0 GDADRO O=C(NCCO)C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000138635578 677676488 /nfs/dbraw/zinc/67/64/88/677676488.db2.gz SCVXMSVJUIMOSU-CYBMUJFWSA-N 1 0 391.295 1.554 20 0 GDADRO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)cnc1Cl ZINC001164390281 718826612 /nfs/dbraw/zinc/82/66/12/718826612.db2.gz NJUOZFCBVLXBOV-NWDGAFQWSA-N 1 0 395.859 1.641 20 0 GDADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCN4CC[NH2+]C[C@H]4C3)nc2N1C1CCCC1 ZINC001164399123 718834009 /nfs/dbraw/zinc/83/40/09/718834009.db2.gz OMZDWDJQRDJUMP-DLBZAZTESA-N 1 0 399.543 1.074 20 0 GDADRO Fc1ccccc1N1CCN(c2cc(N3CCN4CC[NH2+]C[C@@H]4C3)ncn2)CC1 ZINC001164402297 718840960 /nfs/dbraw/zinc/84/09/60/718840960.db2.gz FPIBRQGHBDMHHD-QGZVFWFLSA-N 1 0 397.502 1.036 20 0 GDADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001164411379 718875806 /nfs/dbraw/zinc/87/58/06/718875806.db2.gz PLXDMWXWZWPDNZ-DFHBCGBQSA-N 1 0 394.882 1.933 20 0 GDADRO 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O=C([C@@H]1CCCO1)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nn[nH]n3)c(F)c1)C2 ZINC001571268120 945587852 /nfs/dbraw/zinc/58/78/52/945587852.db2.gz AIMUDKOBPUCKAY-INIZCTEOSA-N 1 0 386.431 1.219 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCn1cccn1 ZINC001571271659 945646072 /nfs/dbraw/zinc/64/60/72/945646072.db2.gz GUKUJYNTGKKWGT-GXTWGEPZSA-N 1 0 386.485 1.294 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)cs1 ZINC001571271800 945651090 /nfs/dbraw/zinc/65/10/90/945651090.db2.gz JYUUIPZWERDEIQ-GXFFZTMASA-N 1 0 386.485 1.600 20 0 GDADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)sn1 ZINC001571272322 945659399 /nfs/dbraw/zinc/65/93/99/945659399.db2.gz RVWUQARBUAYHQN-OLZOCXBDSA-N 1 0 386.485 1.791 20 0 GDADRO Cc1nc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C)c(C)s1 ZINC001571272673 945667129 /nfs/dbraw/zinc/66/71/29/945667129.db2.gz YDZJENDUBLZDOU-ZANVPECISA-N 1 0 386.485 1.661 20 0 GDADRO CC[C@@H](C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[nH]n3)nc2)C1)[NH+](C)C ZINC001571272754 945669404 /nfs/dbraw/zinc/66/94/04/945669404.db2.gz ZJDANDBXDIFVRJ-YOEHRIQHSA-N 1 0 386.504 1.277 20 0 GDADRO CC[NH+](CC)CC[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC001571274627 945698522 /nfs/dbraw/zinc/69/85/22/945698522.db2.gz JHOQCAXBUMGRGQ-NSHDSACASA-N 1 0 386.909 1.919 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC001571274612 945699146 /nfs/dbraw/zinc/69/91/46/945699146.db2.gz IWWDGJDMMHZLRN-QFYYESIMSA-N 1 0 387.394 1.723 20 0 GDADRO CCn1ccnc1CN1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821566784 945716341 /nfs/dbraw/zinc/71/63/41/945716341.db2.gz TYWZJKQSZKODOQ-SFHVURJKSA-N 1 0 396.499 1.324 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)C1 ZINC000821623536 945752870 /nfs/dbraw/zinc/75/28/70/945752870.db2.gz MWQBIBLSRDREKG-OAHLLOKOSA-N 1 0 378.484 1.631 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001571278450 945752899 /nfs/dbraw/zinc/75/28/99/945752899.db2.gz NGFRJTFDCQPHRW-WQVCFCJDSA-N 1 0 386.456 1.039 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CN1C(=O)c1ccns1 ZINC001571279201 945771595 /nfs/dbraw/zinc/77/15/95/945771595.db2.gz KXGTVZGHCVDQGL-ZWNOBZJWSA-N 1 0 387.444 1.855 20 0 GDADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001571279635 945784470 /nfs/dbraw/zinc/78/44/70/945784470.db2.gz XFKHMDFTPKNNMU-CVEARBPZSA-N 1 0 386.456 1.907 20 0 GDADRO C[C@@H]([NH2+]CC1CCOCC1)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571281048 945794799 /nfs/dbraw/zinc/79/47/99/945794799.db2.gz BJZWWDWAQBDNFL-DYVFJYSZSA-N 1 0 387.488 1.594 20 0 GDADRO O=C(c1ccsn1)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571282036 945823047 /nfs/dbraw/zinc/82/30/47/945823047.db2.gz CJWSARFDQWFEKO-CYBMUJFWSA-N 1 0 387.444 1.857 20 0 GDADRO O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CC12CC2 ZINC001571282094 945827975 /nfs/dbraw/zinc/82/79/75/945827975.db2.gz CXTDWEIUIWFEEU-CGTJXYLNSA-N 1 0 387.447 1.678 20 0 GDADRO Cc1ncc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)o1 ZINC001571282198 945835054 /nfs/dbraw/zinc/83/50/54/945835054.db2.gz UFGGIGHMPHIHNI-QMTHXVAHSA-N 1 0 387.469 1.404 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC001571282756 945856581 /nfs/dbraw/zinc/85/65/81/945856581.db2.gz PWVMVLKFQXSAAI-OAHLLOKOSA-N 1 0 387.463 1.575 20 0 GDADRO O=C(Cc1ccc(F)cn1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571282714 945858192 /nfs/dbraw/zinc/85/81/92/945858192.db2.gz OHZLWHKGYJSWSV-ZDUSSCGKSA-N 1 0 387.444 1.396 20 0 GDADRO Cc1ncsc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282707 945858923 /nfs/dbraw/zinc/85/89/23/945858923.db2.gz OGGQVNXMNJWHMF-GFCCVEGCSA-N 1 0 387.444 1.775 20 0 GDADRO CC[C@H](C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1)OC ZINC001571283155 945876847 /nfs/dbraw/zinc/87/68/47/945876847.db2.gz ALIUJNRJEDKTQE-BEFAXECRSA-N 1 0 387.488 1.548 20 0 GDADRO CCC(CC)C(=O)N1CCO[C@H]([C@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571284645 945901984 /nfs/dbraw/zinc/90/19/84/945901984.db2.gz RUPAZLLWFOJLGY-GUYCJALGSA-N 1 0 387.488 1.456 20 0 GDADRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2N(C)C)C[C@@H](C)O1 ZINC001571284871 945904899 /nfs/dbraw/zinc/90/48/99/945904899.db2.gz VKWHCPNSSWSFOI-HUUCEWRRSA-N 1 0 387.532 1.910 20 0 GDADRO O=C(NC1CC[NH+](CCCC2CCOCC2)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571285239 945914160 /nfs/dbraw/zinc/91/41/60/945914160.db2.gz ZTAAZIKDQAYEEB-UHFFFAOYSA-N 1 0 387.488 1.596 20 0 GDADRO CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573460789 945917844 /nfs/dbraw/zinc/91/78/44/945917844.db2.gz MBNKROIXJMJQAF-CHWSQXEVSA-N 1 0 387.488 1.154 20 0 GDADRO O=C(CC[C@@H]1CCOC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571287240 945970119 /nfs/dbraw/zinc/97/01/19/945970119.db2.gz BMBZEDRFZIZNIW-UKRRQHHQSA-N 1 0 388.447 1.513 20 0 GDADRO Cc1cc(C)cc([C@H](O)C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000822196272 945979699 /nfs/dbraw/zinc/97/96/99/945979699.db2.gz BWRUPZONZSDREV-GOSISDBHSA-N 1 0 379.468 1.734 20 0 GDADRO CCO[C@H]1C[C@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571287857 945980798 /nfs/dbraw/zinc/98/07/98/945980798.db2.gz JOCJRVBFMSCTFS-SJORKVTESA-N 1 0 388.447 1.511 20 0 GDADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CN(C(=O)CC2CC2)CCO1 ZINC001571288238 945983029 /nfs/dbraw/zinc/98/30/29/945983029.db2.gz MXAQTUYLLFNBLB-YVEFUNNKSA-N 1 0 388.447 1.511 20 0 GDADRO Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000822205933 945990970 /nfs/dbraw/zinc/99/09/70/945990970.db2.gz NUHKEABXRROPFQ-KRWDZBQOSA-N 1 0 383.431 1.565 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)OC ZINC001571289531 946009136 /nfs/dbraw/zinc/00/91/36/946009136.db2.gz GXLRMIXYBUKKDL-BBRMVZONSA-N 1 0 388.472 1.381 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571289550 946010186 /nfs/dbraw/zinc/01/01/86/946010186.db2.gz HJDUJTVYGIRQDJ-SGTLLEGYSA-N 1 0 388.451 1.003 20 0 GDADRO Cc1nonc1C(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289516 946010525 /nfs/dbraw/zinc/01/05/25/946010525.db2.gz GPDKAYREWMXSDB-GHMZBOCLSA-N 1 0 388.457 1.450 20 0 GDADRO CC1CC[NH+](CC(=O)N2CC[C@@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001571289890 946020566 /nfs/dbraw/zinc/02/05/66/946020566.db2.gz PDMSFSNGIMUNSJ-CQSZACIVSA-N 1 0 388.451 1.146 20 0 GDADRO CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573474414 946092164 /nfs/dbraw/zinc/09/21/64/946092164.db2.gz LFLHDGHJFFKGKO-LBTNJELSSA-N 1 0 399.499 1.108 20 0 GDADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)c1cc2c([nH]1)CCC2 ZINC001571294184 946128464 /nfs/dbraw/zinc/12/84/64/946128464.db2.gz CJYUPJSSHXDYFT-MNZLEMJZSA-N 1 0 389.463 1.544 20 0 GDADRO Cn1cc(C[C@H]2CC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC000822674179 946152697 /nfs/dbraw/zinc/15/26/97/946152697.db2.gz MYHJQSCDAJPNKG-CQSZACIVSA-N 1 0 380.456 1.493 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@@H]2C1 ZINC001571295440 946165061 /nfs/dbraw/zinc/16/50/61/946165061.db2.gz SYONXODELAKHGM-KHYOSLBOSA-N 1 0 389.463 1.886 20 0 GDADRO CC(C)(O)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571298437 946217106 /nfs/dbraw/zinc/21/71/06/946217106.db2.gz NUDHPZTZEDVMOO-CYBMUJFWSA-N 1 0 390.463 1.495 20 0 GDADRO Cc1nc(C2CC2)ccc1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571298682 946224931 /nfs/dbraw/zinc/22/49/31/946224931.db2.gz JERSJSUUGAMKBH-AWEZNQCLSA-N 1 0 390.451 1.591 20 0 GDADRO CO[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)C ZINC001571299042 946238954 /nfs/dbraw/zinc/23/89/54/946238954.db2.gz TULADBZFGQRPNX-WBVHZDCISA-N 1 0 390.463 1.757 20 0 GDADRO O=C(NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccc(C2CC2)cn1 ZINC001571299117 946241801 /nfs/dbraw/zinc/24/18/01/946241801.db2.gz UNICJWOQELFSTG-UHFFFAOYSA-N 1 0 390.451 1.577 20 0 GDADRO Cc1nsc(N[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)c1-c1nn[nH]n1 ZINC001571300264 946278921 /nfs/dbraw/zinc/27/89/21/946278921.db2.gz XZJSZXYJMIQBEV-ZDUSSCGKSA-N 1 0 390.517 1.376 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571303947 946351961 /nfs/dbraw/zinc/35/19/61/946351961.db2.gz SZYCOVIQUXDUJO-KZULUSFZSA-N 1 0 391.435 1.286 20 0 GDADRO Cn1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571306302 946394741 /nfs/dbraw/zinc/39/47/41/946394741.db2.gz RZIITDBJEATUSX-APWZRJJASA-N 1 0 391.479 1.942 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)CCc1ccccn1 ZINC001571306986 946413916 /nfs/dbraw/zinc/41/39/16/946413916.db2.gz SQHFNBCKHPOLES-DNVCBOLYSA-N 1 0 391.479 1.974 20 0 GDADRO O=C(N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)[C@@]1(F)CCOC1 ZINC001571307886 946427813 /nfs/dbraw/zinc/42/78/13/946427813.db2.gz IXYLHZIUUBKISJ-SCLBCKFNSA-N 1 0 392.410 1.215 20 0 GDADRO O=C1OCC[C@H]1CC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000823551329 946445401 /nfs/dbraw/zinc/44/54/01/946445401.db2.gz MZNDUODWLKOKLL-CQSZACIVSA-N 1 0 393.451 1.490 20 0 GDADRO CO[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ccccc1 ZINC001571310547 946475598 /nfs/dbraw/zinc/47/55/98/946475598.db2.gz IUCWISCQAYJTTI-RTBURBONSA-N 1 0 392.463 1.945 20 0 GDADRO CCn1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)cn1 ZINC001571312988 946508135 /nfs/dbraw/zinc/50/81/35/946508135.db2.gz GWMYBGGRLZLXMR-SJLPKXTDSA-N 1 0 392.467 1.430 20 0 GDADRO Cc1cc(N[C@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571314916 946543932 /nfs/dbraw/zinc/54/39/32/946543932.db2.gz DMMNWFZNXKCNQF-UGSOOPFHSA-N 1 0 392.467 1.576 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571315482 946556595 /nfs/dbraw/zinc/55/65/95/946556595.db2.gz LUHYUFKDBWUJMM-HXUWFJFHSA-N 1 0 392.467 1.636 20 0 GDADRO Cc1cc(N[C@@H]2CN(C(=O)CCc3cccnc3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571315853 946560469 /nfs/dbraw/zinc/56/04/69/946560469.db2.gz PTHUIILPEUIRMK-SCLBCKFNSA-N 1 0 392.467 1.279 20 0 GDADRO O=C(Cn1cc(C2CC2)cn1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571316450 946576012 /nfs/dbraw/zinc/57/60/12/946576012.db2.gz CUBFEXDDJDTQKO-CALCHBBNSA-N 1 0 392.467 1.378 20 0 GDADRO Cc1ncncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC001571316680 946583641 /nfs/dbraw/zinc/58/36/41/946583641.db2.gz JPNGDLFELGDZKC-GUYCJALGSA-N 1 0 392.467 1.748 20 0 GDADRO Cc1nccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571317147 946600798 /nfs/dbraw/zinc/60/07/98/946600798.db2.gz WQGBSWNFFJONAG-GOEBONIOSA-N 1 0 392.467 1.653 20 0 GDADRO Cn1ccc(C(=O)N2CC3(C2)CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC3)n1 ZINC001571317161 946601659 /nfs/dbraw/zinc/60/16/59/946601659.db2.gz WURBTBGHLFNHST-UHFFFAOYSA-N 1 0 392.467 1.338 20 0 GDADRO O=C(c1cc[nH]n1)N1CCC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC001571317424 946609395 /nfs/dbraw/zinc/60/93/95/946609395.db2.gz HGFHMCXQRAOTPX-SJLPKXTDSA-N 1 0 392.467 1.717 20 0 GDADRO O=C(c1cnn2c1CCCC2)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571317482 946612056 /nfs/dbraw/zinc/61/20/56/946612056.db2.gz JKJCTCYTSXIVFG-MRXNPFEDSA-N 1 0 392.467 1.404 20 0 GDADRO CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573523798 946639272 /nfs/dbraw/zinc/63/92/72/946639272.db2.gz WXGRQGPBXKSFIP-CHWSQXEVSA-N 1 0 387.488 1.012 20 0 GDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000824414199 946699784 /nfs/dbraw/zinc/69/97/84/946699784.db2.gz XIKOMAVAIKBJOH-OAHLLOKOSA-N 1 0 380.452 1.882 20 0 GDADRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824548070 946791291 /nfs/dbraw/zinc/79/12/91/946791291.db2.gz UZTMZBPKTWPJMC-CZUORRHYSA-N 1 0 380.456 1.442 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562058 946801157 /nfs/dbraw/zinc/80/11/57/946801157.db2.gz CHEQMYQZQCJMJN-GFCCVEGCSA-N 1 0 380.408 1.927 20 0 GDADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568766 946805899 /nfs/dbraw/zinc/80/58/99/946805899.db2.gz CKJLHQSOAXONSA-RISCZKNCSA-N 1 0 393.494 1.414 20 0 GDADRO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824600167 946851655 /nfs/dbraw/zinc/85/16/55/946851655.db2.gz WXOYGDUYWNVMIY-CYBMUJFWSA-N 1 0 386.481 1.734 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824612020 946861827 /nfs/dbraw/zinc/86/18/27/946861827.db2.gz IEDLYZPZOAVOHA-ODXCJYRJSA-N 1 0 391.435 1.772 20 0 GDADRO CC(C(=O)N(C)C[C@H](O)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1)=C1CCC1 ZINC001573591853 947322480 /nfs/dbraw/zinc/32/24/80/947322480.db2.gz GSTRFQXIJNRLLD-OAHLLOKOSA-N 1 0 385.472 1.326 20 0 GDADRO Cn1cc(CNc2cnn(CC[NH+](C)C)c2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825870325 947352737 /nfs/dbraw/zinc/35/27/37/947352737.db2.gz GZPFJOIYNHERKD-UHFFFAOYSA-N 1 0 392.471 1.637 20 0 GDADRO C[N@H+](CCO)C1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000825942171 947380903 /nfs/dbraw/zinc/38/09/03/947380903.db2.gz ZMAKNAZFAPLIFO-UHFFFAOYSA-N 1 0 379.852 1.441 20 0 GDADRO CC(C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)=C1CCC1 ZINC001573594345 947393700 /nfs/dbraw/zinc/39/37/00/947393700.db2.gz YDRFLHLMHVTUQD-CQSZACIVSA-N 1 0 390.513 1.680 20 0 GDADRO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C ZINC001573595485 947419912 /nfs/dbraw/zinc/41/99/12/947419912.db2.gz GJAPXLPTFKEEOY-WFASDCNBSA-N 1 0 392.479 1.597 20 0 GDADRO C[C@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)(F)F ZINC001573602919 947473144 /nfs/dbraw/zinc/47/31/44/947473144.db2.gz BNRWJWVMPFCJGY-SNVBAGLBSA-N 1 0 388.444 1.130 20 0 GDADRO C[C@H](C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573603340 947484298 /nfs/dbraw/zinc/48/42/98/947484298.db2.gz KKKJUONDXUKVCY-SUMWQHHRSA-N 1 0 390.463 1.711 20 0 GDADRO C[C@@H](C(=O)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573615184 947600726 /nfs/dbraw/zinc/60/07/26/947600726.db2.gz IQIRMAAHDLAEIS-LSDHHAIUSA-N 1 0 380.456 1.397 20 0 GDADRO C=Cc1ccc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)cc1 ZINC001573352120 947625149 /nfs/dbraw/zinc/62/51/49/947625149.db2.gz VNQUQQHKIRJLJC-GOSISDBHSA-N 1 0 392.463 1.732 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H]([C@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573367951 947764920 /nfs/dbraw/zinc/76/49/20/947764920.db2.gz JPDRNNNUZRFVKD-LSDHHAIUSA-N 1 0 385.472 1.400 20 0 GDADRO C[C@H](C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573629090 947771670 /nfs/dbraw/zinc/77/16/70/947771670.db2.gz MADLJBJWHNCMQP-DZGCQCFKSA-N 1 0 378.440 1.285 20 0 GDADRO CC(=O)CCCC(=O)N1CCC[C@@H]([C@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573372864 947783989 /nfs/dbraw/zinc/78/39/89/947783989.db2.gz DYVHBZFRPVVUHA-LSDHHAIUSA-N 1 0 385.472 1.482 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573376291 947835042 /nfs/dbraw/zinc/83/50/42/947835042.db2.gz XNGBGVFYCKABRA-HNNXBMFYSA-N 1 0 385.472 1.614 20 0 GDADRO CC(=O)CCCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573376325 947835178 /nfs/dbraw/zinc/83/51/78/947835178.db2.gz YSUBGYVWEHETSP-CYBMUJFWSA-N 1 0 376.486 1.626 20 0 GDADRO C[C@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[NH+]1CCCCCC1 ZINC001573638763 947841233 /nfs/dbraw/zinc/84/12/33/947841233.db2.gz URVVEQYFZYHYAP-OAHLLOKOSA-N 1 0 384.488 1.175 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000826292965 947851559 /nfs/dbraw/zinc/85/15/59/947851559.db2.gz VDKVOYQHMQLNOE-LBPRGKRZSA-N 1 0 392.510 1.866 20 0 GDADRO CC(=O)CCCC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@]2(C)C1 ZINC001573377738 947853076 /nfs/dbraw/zinc/85/30/76/947853076.db2.gz SFYXTLDJXAJBRE-KUHUBIRLSA-N 1 0 383.456 1.306 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573378051 947854050 /nfs/dbraw/zinc/85/40/50/947854050.db2.gz VGJMTXYQKLJKJZ-GJZGRUSLSA-N 1 0 385.472 1.742 20 0 GDADRO CC(=O)CCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001573381498 947874681 /nfs/dbraw/zinc/87/46/81/947874681.db2.gz WKWNBTLMKCUJKE-DZGCQCFKSA-N 1 0 385.472 1.803 20 0 GDADRO CC(=O)CCCC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573382866 947887540 /nfs/dbraw/zinc/88/75/40/947887540.db2.gz LRJLUEVQGNZSLF-INIZCTEOSA-N 1 0 384.484 1.954 20 0 GDADRO Cc1ccnc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1-c1nn[nH]n1 ZINC000826313147 947909622 /nfs/dbraw/zinc/90/96/22/947909622.db2.gz XCCZDMLXSRHNOS-SJORKVTESA-N 1 0 379.468 1.865 20 0 GDADRO Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826346308 948038582 /nfs/dbraw/zinc/03/85/82/948038582.db2.gz JGPLRYMOOBHTEK-BBRMVZONSA-N 1 0 395.467 1.875 20 0 GDADRO C[C@@H](C(=O)N[C@]1(CO)CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573664252 948051964 /nfs/dbraw/zinc/05/19/64/948051964.db2.gz SNMFWWQRFBZYGI-JLTOFOAXSA-N 1 0 384.484 1.356 20 0 GDADRO Cc1onc(CC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1-c1nn[nH]n1 ZINC000826349057 948087219 /nfs/dbraw/zinc/08/72/19/948087219.db2.gz RLSKJFIEZGCBSC-UHFFFAOYSA-N 1 0 396.455 1.850 20 0 GDADRO Cn1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361175 948128736 /nfs/dbraw/zinc/12/87/36/948128736.db2.gz OCRSMOFGMHCGFB-SFHVURJKSA-N 1 0 394.483 1.174 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCc3nccn3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361384 948131830 /nfs/dbraw/zinc/13/18/30/948131830.db2.gz VKERDHCNACMKCN-MRXNPFEDSA-N 1 0 375.440 1.568 20 0 GDADRO C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001573679596 948164378 /nfs/dbraw/zinc/16/43/78/948164378.db2.gz LHTGXEVSWMQEEG-KBPBESRZSA-N 1 0 382.472 1.340 20 0 GDADRO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573680203 948175030 /nfs/dbraw/zinc/17/50/30/948175030.db2.gz MRCCKONPIZJWNQ-WCQYABFASA-N 1 0 378.452 1.255 20 0 GDADRO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(C)(C)C ZINC001573681001 948193275 /nfs/dbraw/zinc/19/32/75/948193275.db2.gz RMBUIHPTGYVVCF-FZMZJTMJSA-N 1 0 378.452 1.255 20 0 GDADRO NC(=O)[C@@H](NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000826389494 948197876 /nfs/dbraw/zinc/19/78/76/948197876.db2.gz ZQVAKGDIQZFSEV-IBGZPJMESA-N 1 0 391.479 1.647 20 0 GDADRO NC(=O)CC[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826390988 948198404 /nfs/dbraw/zinc/19/84/04/948198404.db2.gz STDGQKIIPIYZOT-PBHICJAKSA-N 1 0 397.483 1.340 20 0 GDADRO CC(=O)N1CCC(CO[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001573433757 948205728 /nfs/dbraw/zinc/20/57/28/948205728.db2.gz NMQBMTCVPNRSQW-MRXNPFEDSA-N 1 0 385.472 1.424 20 0 GDADRO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccsc1 ZINC001573681904 948216833 /nfs/dbraw/zinc/21/68/33/948216833.db2.gz YSBPBCIZORNYHL-CMPLNLGQSA-N 1 0 392.510 1.360 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)n1cccc1 ZINC001573690826 948229277 /nfs/dbraw/zinc/22/92/77/948229277.db2.gz BTPHIQXAJYQTSG-CYBMUJFWSA-N 1 0 383.431 1.807 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCOCC1)C1CC1 ZINC001573691349 948239686 /nfs/dbraw/zinc/23/96/86/948239686.db2.gz FPUHVVRKQSNQSM-LBPRGKRZSA-N 1 0 390.513 1.729 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573691216 948239745 /nfs/dbraw/zinc/23/97/45/948239745.db2.gz DYQTZPCMHBIHMR-SECBINFHSA-N 1 0 386.353 1.943 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1)n1cccn1 ZINC001573691411 948241897 /nfs/dbraw/zinc/24/18/97/948241897.db2.gz GPCCMRVRUOAYAK-LBPRGKRZSA-N 1 0 384.419 1.202 20 0 GDADRO C[C@@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCOCC1)C1CC1 ZINC001573692388 948263428 /nfs/dbraw/zinc/26/34/28/948263428.db2.gz PHCPVOOQPMNCKT-CQSZACIVSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573693578 948282656 /nfs/dbraw/zinc/28/26/56/948282656.db2.gz AETLWTIMDAEBBM-HIFPTAJRSA-N 1 0 386.485 1.370 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826431820 948282848 /nfs/dbraw/zinc/28/28/48/948282848.db2.gz LHYVWYALYIEPBI-SQNIBIBYSA-N 1 0 397.483 1.576 20 0 GDADRO C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)n1cccc1 ZINC001573693683 948284627 /nfs/dbraw/zinc/28/46/27/948284627.db2.gz ASMUHSQVZQFVJH-XOUADPBQSA-N 1 0 378.440 1.123 20 0 GDADRO C[C@H](C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573693812 948290041 /nfs/dbraw/zinc/29/00/41/948290041.db2.gz ZQNCRDQEHUKCMV-BLLLJJGKSA-N 1 0 388.447 1.559 20 0 GDADRO O=C(NCCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCC1 ZINC000826436704 948290936 /nfs/dbraw/zinc/29/09/36/948290936.db2.gz FAIFCGMYQIXQFR-UHFFFAOYSA-N 1 0 397.527 1.727 20 0 GDADRO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)C1CCC1 ZINC001573696172 948318996 /nfs/dbraw/zinc/31/89/96/948318996.db2.gz LSGQSGGBGQRJPB-JLTOFOAXSA-N 1 0 384.484 1.356 20 0 GDADRO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573696430 948324386 /nfs/dbraw/zinc/32/43/86/948324386.db2.gz QAIYXOUZRVDBAI-CWTRNNRKSA-N 1 0 388.447 1.105 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573703669 948357365 /nfs/dbraw/zinc/35/73/65/948357365.db2.gz LXXRUCNEUGJKQV-RYUDHWBXSA-N 1 0 379.415 1.886 20 0 GDADRO C[C@@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573703619 948358297 /nfs/dbraw/zinc/35/82/97/948358297.db2.gz LHZNVNSTYUNHMS-ZIAGYGMSSA-N 1 0 381.440 1.991 20 0 GDADRO O=C1[C@@H](N2CC[NH+](C3CCCC3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476236 948380210 /nfs/dbraw/zinc/38/02/10/948380210.db2.gz DBWWZWJRBDVJHG-IBGZPJMESA-N 1 0 395.511 1.922 20 0 GDADRO O=C1[C@@H]([NH+]2CCC(C3OCCO3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476700 948383066 /nfs/dbraw/zinc/38/30/66/948383066.db2.gz NAJUGKIWAVATJU-KRWDZBQOSA-N 1 0 398.467 1.447 20 0 GDADRO O=C1[C@@H]([NH+]2CCC(n3ccnc3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476996 948385204 /nfs/dbraw/zinc/38/52/04/948385204.db2.gz SXRQKIFNBUPZKB-SFHVURJKSA-N 1 0 392.467 1.896 20 0 GDADRO O[C@@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)COCC1CC1 ZINC000826502712 948418995 /nfs/dbraw/zinc/41/89/95/948418995.db2.gz JCZPVGGJLBMQHS-IBGZPJMESA-N 1 0 386.500 1.208 20 0 GDADRO C[C@H](C(=O)NCC[C@H](C)Nc1ccc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001573717760 948510323 /nfs/dbraw/zinc/51/03/23/948510323.db2.gz NDFKNSMABHOBOQ-LSDHHAIUSA-N 1 0 386.504 1.833 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](C)c1cccnc1 ZINC001573741031 948648983 /nfs/dbraw/zinc/64/89/83/948648983.db2.gz XCVWECJSCXUQFJ-CHWSQXEVSA-N 1 0 383.431 1.799 20 0 GDADRO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573751989 948708195 /nfs/dbraw/zinc/70/81/95/948708195.db2.gz JMUDFFLJEKIUFV-NBMRYCAZSA-N 1 0 392.467 1.546 20 0 GDADRO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21)c1ccco1 ZINC001573751979 948708471 /nfs/dbraw/zinc/70/84/71/948708471.db2.gz JBDIWKFFVVWBEN-CNXAATOLSA-N 1 0 384.465 1.871 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1CCCO1 ZINC001573753134 948717687 /nfs/dbraw/zinc/71/76/87/948717687.db2.gz RHILHLXTJSAJMI-MNXVOIDGSA-N 1 0 376.486 1.480 20 0 GDADRO C[C@H](CNC(=O)CCc1ccnn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574916875 948795525 /nfs/dbraw/zinc/79/55/25/948795525.db2.gz LRLKBSTXDKBLNS-GFCCVEGCSA-N 1 0 388.501 1.231 20 0 GDADRO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1nccnc1-c1nn[nH]n1 ZINC001574918132 948835559 /nfs/dbraw/zinc/83/55/59/948835559.db2.gz GDRQCQGDPBXOMH-AWEZNQCLSA-N 1 0 387.492 1.087 20 0 GDADRO C[C@H](CNC(=O)CCCn1cccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574918151 948837107 /nfs/dbraw/zinc/83/71/07/948837107.db2.gz GKKXPWJIJJOZGF-CQSZACIVSA-N 1 0 385.447 1.882 20 0 GDADRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C12CCC[NH+]1CCC2 ZINC001574684426 948868003 /nfs/dbraw/zinc/86/80/03/948868003.db2.gz GAZHOLZPPCDTPZ-LBPRGKRZSA-N 1 0 388.451 1.336 20 0 GDADRO C[C@@H](CNC(=O)CCc1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574920005 948879896 /nfs/dbraw/zinc/87/98/96/948879896.db2.gz ABTGFHARMNNBBM-NSHDSACASA-N 1 0 389.460 1.689 20 0 GDADRO C[C@@H](CNC(=O)CCc1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920440 948900876 /nfs/dbraw/zinc/90/08/76/948900876.db2.gz LIUWRGRCGGMZAZ-JTQLQIEISA-N 1 0 377.499 1.612 20 0 GDADRO CC(C)(C(=O)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CC1 ZINC001573765384 948904947 /nfs/dbraw/zinc/90/49/47/948904947.db2.gz BCFUFJMKAGZCIX-AWEZNQCLSA-N 1 0 385.472 1.149 20 0 GDADRO CC(C)(C(=O)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001573765567 948915811 /nfs/dbraw/zinc/91/58/11/948915811.db2.gz OFTNMVPBEMVUNK-AWEZNQCLSA-N 1 0 385.472 1.149 20 0 GDADRO CC(C)[C@@H](C(=O)N[C@@H](C)CCNc1ncc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001574686439 948934864 /nfs/dbraw/zinc/93/48/64/948934864.db2.gz JGBLBSMHVDSQJJ-FZMZJTMJSA-N 1 0 378.456 1.294 20 0 GDADRO CC(C)c1ncsc1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574432855 948942659 /nfs/dbraw/zinc/94/26/59/948942659.db2.gz GALYFLXTQYTPDR-PHIMTYICSA-N 1 0 384.469 1.636 20 0 GDADRO CC(C)(C(=O)N[C@@H](CNc1ncccc1-c1nn[nH]n1)C1CC1)[NH+]1CCCC1 ZINC001573772299 948955064 /nfs/dbraw/zinc/95/50/64/948955064.db2.gz TULFRXLRXIMXEU-HNNXBMFYSA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)(C(=O)N[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)C1CC1)[NH+]1CCCC1 ZINC001573772558 948960826 /nfs/dbraw/zinc/96/08/26/948960826.db2.gz UVWUJDRGONDNFE-INIZCTEOSA-N 1 0 384.488 1.443 20 0 GDADRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573772743 948964369 /nfs/dbraw/zinc/96/43/69/948964369.db2.gz DBJIZIJIGBQLOF-AWEZNQCLSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575241655 948979664 /nfs/dbraw/zinc/97/96/64/948979664.db2.gz DXFSJVBXVLYNQR-ZYHUDNBSSA-N 1 0 385.394 1.630 20 0 GDADRO CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)CNc1snc(Cl)c1-c1nn[nH]n1 ZINC001574925994 948980789 /nfs/dbraw/zinc/98/07/89/948980789.db2.gz FYEHLCLLBDVVEX-SECBINFHSA-N 1 0 386.913 1.481 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573773469 948987350 /nfs/dbraw/zinc/98/73/50/948987350.db2.gz CCQWLTNRADXBFC-UHFFFAOYSA-N 1 0 378.440 1.117 20 0 GDADRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(F)(F)F ZINC001573774118 948999772 /nfs/dbraw/zinc/99/97/72/948999772.db2.gz QOBLZISVRCXJQP-LBPRGKRZSA-N 1 0 386.378 1.022 20 0 GDADRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001574091364 949010636 /nfs/dbraw/zinc/01/06/36/949010636.db2.gz KPHKIYIOQFXDBW-OKZBNKHCSA-N 1 0 384.484 1.621 20 0 GDADRO CC(C)[C@@H]1C[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCO1 ZINC001574091338 949011596 /nfs/dbraw/zinc/01/15/96/949011596.db2.gz KELBIMSIAITRLU-HIFRSBDPSA-N 1 0 392.529 1.927 20 0 GDADRO CC(C)[C@@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCO1 ZINC001574091340 949012973 /nfs/dbraw/zinc/01/29/73/949012973.db2.gz KELBIMSIAITRLU-ZFWWWQNUSA-N 1 0 392.529 1.927 20 0 GDADRO C[C@H](CNC(=O)CN1CCc2ccccc21)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574929058 949071615 /nfs/dbraw/zinc/07/16/15/949071615.db2.gz XBTJNDIWVMAWDS-OAHLLOKOSA-N 1 0 391.479 1.524 20 0 GDADRO C[C@@H](CNC(=O)CN1CCc2ccccc21)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574929005 949072434 /nfs/dbraw/zinc/07/24/34/949072434.db2.gz VIUVCEUCLWPTDK-AWEZNQCLSA-N 1 0 392.467 1.265 20 0 GDADRO CC(C)c1nocc1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574443301 949107773 /nfs/dbraw/zinc/10/77/73/949107773.db2.gz XBIKUSLHRUYHHG-GFCCVEGCSA-N 1 0 382.428 1.512 20 0 GDADRO C[C@@H](CNC(=O)COCc1ccncc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574930790 949109383 /nfs/dbraw/zinc/10/93/83/949109383.db2.gz MONKSZYFOHAOTP-LBPRGKRZSA-N 1 0 387.469 1.134 20 0 GDADRO C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575252218 949155487 /nfs/dbraw/zinc/15/54/87/949155487.db2.gz PKZNYDXLYCMQAU-QWHCGFSZSA-N 1 0 380.456 1.362 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574698085 949174534 /nfs/dbraw/zinc/17/45/34/949174534.db2.gz FYQNAJNOEDBHRJ-RYUDHWBXSA-N 1 0 388.501 1.467 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574698347 949186100 /nfs/dbraw/zinc/18/61/00/949186100.db2.gz JKJWTXYESKMDFC-BBRMVZONSA-N 1 0 383.431 1.523 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574698937 949216700 /nfs/dbraw/zinc/21/67/00/949216700.db2.gz QERSJCDNHWINLZ-RYUDHWBXSA-N 1 0 378.502 1.680 20 0 GDADRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)c2ccccc2O)CC1 ZINC001575853958 949224405 /nfs/dbraw/zinc/22/44/05/949224405.db2.gz PJLAGQHVGKTVEH-UHFFFAOYSA-N 1 0 379.424 1.496 20 0 GDADRO C[C@H](CNC(=O)Cc1cc(C2CC2)no1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574937788 949230693 /nfs/dbraw/zinc/23/06/93/949230693.db2.gz QPIZGMNGQVYWLD-SNVBAGLBSA-N 1 0 387.469 1.631 20 0 GDADRO C[C@@H](CNC(=O)Cc1cc(F)ccc1F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574938032 949234376 /nfs/dbraw/zinc/23/43/76/949234376.db2.gz RCDXGWAFGMQSGM-LBPRGKRZSA-N 1 0 386.406 1.982 20 0 GDADRO CC(C)(C)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573792375 949248675 /nfs/dbraw/zinc/24/86/75/949248675.db2.gz PKEITTHGFPBLIK-IBGZPJMESA-N 1 0 390.463 1.495 20 0 GDADRO C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575257118 949267794 /nfs/dbraw/zinc/26/77/94/949267794.db2.gz YFJFHTJKMWKNPN-KBPBESRZSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@]1(F)CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574702362 949279314 /nfs/dbraw/zinc/27/93/14/949279314.db2.gz HNKHALDJZCIDFP-GTNSWQLSSA-N 1 0 380.399 1.071 20 0 GDADRO C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574940937 949282181 /nfs/dbraw/zinc/28/21/81/949282181.db2.gz MORCZAMJOOCHQB-CYBMUJFWSA-N 1 0 377.452 1.720 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(F)CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574702655 949287745 /nfs/dbraw/zinc/28/77/45/949287745.db2.gz KBFQPRFDTDRZHL-APPDUMDISA-N 1 0 380.399 1.071 20 0 GDADRO CC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573793129 949288823 /nfs/dbraw/zinc/28/88/23/949288823.db2.gz MDNSVMVIGJENRO-LLVKDONJSA-N 1 0 376.486 1.624 20 0 GDADRO CC(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574109269 949314904 /nfs/dbraw/zinc/31/49/04/949314904.db2.gz WJLIFEHOROOKCX-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO CC(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574109734 949324431 /nfs/dbraw/zinc/32/44/31/949324431.db2.gz BPYRFHHZFIHIKD-DGCLKSJQSA-N 1 0 383.378 1.531 20 0 GDADRO C[C@H](NC(=O)C1CCC(O)CC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575259620 949331230 /nfs/dbraw/zinc/33/12/30/949331230.db2.gz PUWZUSJPTQQICQ-CBCUQQMYSA-N 1 0 384.484 1.354 20 0 GDADRO C[C@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574944321 949388700 /nfs/dbraw/zinc/38/87/00/949388700.db2.gz AEQJKOURVHDLKK-LLVKDONJSA-N 1 0 387.394 1.377 20 0 GDADRO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575263521 949400534 /nfs/dbraw/zinc/40/05/34/949400534.db2.gz HGKAUDLCWQPIBQ-GHMZBOCLSA-N 1 0 392.895 1.562 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CC(F)(F)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574705107 949412522 /nfs/dbraw/zinc/41/25/22/949412522.db2.gz RHIGTQSYLRZTNU-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO C[C@@H](CNC(=O)Cc1cncs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574945554 949413976 /nfs/dbraw/zinc/41/39/76/949413976.db2.gz MFFNLHPFHXEIHI-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO CC(C)n1cnc(C(=O)N(C)CCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001574465008 949424392 /nfs/dbraw/zinc/42/43/92/949424392.db2.gz SNXUZKNAHIRLSY-UHFFFAOYSA-N 1 0 383.460 1.638 20 0 GDADRO C[C@H](NC(=O)[C@@H]1CCCCO1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264392 949424335 /nfs/dbraw/zinc/42/43/35/949424335.db2.gz NYTFRCKWBCCMMF-FZMZJTMJSA-N 1 0 376.486 1.434 20 0 GDADRO C[C@@H](CNC(=O)Cc1cncs1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574945938 949425388 /nfs/dbraw/zinc/42/53/88/949425388.db2.gz PMLOLWZULLJWAP-NSHDSACASA-N 1 0 389.460 1.642 20 0 GDADRO CC(C)n1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001574465011 949426523 /nfs/dbraw/zinc/42/65/23/949426523.db2.gz SPWKJDWVXHCLLP-MRXNPFEDSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)n1cccc1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574465184 949433880 /nfs/dbraw/zinc/43/38/80/949433880.db2.gz RUWUNQYEXUCURO-GFCCVEGCSA-N 1 0 389.485 1.191 20 0 GDADRO C[C@H]1CCCC[C@]1(CNc1cncc(-c2nn[nH]n2)n1)NC(=O)CC[NH+](C)C ZINC001576156385 949441796 /nfs/dbraw/zinc/44/17/96/949441796.db2.gz MNXINCLLHZKMFG-SCLBCKFNSA-N 1 0 387.492 1.085 20 0 GDADRO CC(C)(C)C(=O)NCCN1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573803498 949442258 /nfs/dbraw/zinc/44/22/58/949442258.db2.gz QJWNHCZIAWMANB-UHFFFAOYSA-N 1 0 385.516 1.583 20 0 GDADRO CC(C)n1ncc(C(=O)NCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)c1Cl ZINC001574468030 949451418 /nfs/dbraw/zinc/45/14/18/949451418.db2.gz FGENUFIIHFOUTB-UHFFFAOYSA-N 1 0 389.851 1.559 20 0 GDADRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573803939 949456246 /nfs/dbraw/zinc/45/62/46/949456246.db2.gz XVDUORFGAAZJKM-WMLDXEAASA-N 1 0 386.500 1.774 20 0 GDADRO C[C@@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574707254 949466588 /nfs/dbraw/zinc/46/65/88/949466588.db2.gz OLBQHADHUGCUSS-GRTSSRMGSA-N 1 0 390.463 1.493 20 0 GDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001575266100 949466479 /nfs/dbraw/zinc/46/64/79/949466479.db2.gz XDQKHTYYHMWWSE-STQMWFEESA-N 1 0 387.492 1.082 20 0 GDADRO C[C@H]1CCCC[C@]1(CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cnco1 ZINC001576158512 949499579 /nfs/dbraw/zinc/49/95/79/949499579.db2.gz TXMJPAOOTNCTOT-KPZWWZAWSA-N 1 0 382.428 1.462 20 0 GDADRO CC(C)n1nccc1C(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574470725 949508864 /nfs/dbraw/zinc/50/88/64/949508864.db2.gz SWRUVDHVNBTEAM-UHFFFAOYSA-N 1 0 386.435 1.645 20 0 GDADRO C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)CC[NH+](C)C ZINC001576159003 949512021 /nfs/dbraw/zinc/51/20/21/949512021.db2.gz VRZRLFAIPCUAPE-ACJLOTCBSA-N 1 0 387.492 1.085 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574710725 949512682 /nfs/dbraw/zinc/51/26/82/949512682.db2.gz AKXOFFOGCZTJCK-KBXCAEBGSA-N 1 0 391.479 1.928 20 0 GDADRO CC1(C(=O)N2CCC[C@](CO)(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCCC1 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C[C@H](NC(=O)CCCC[NH+]1CCCC1)[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575272297 949636945 /nfs/dbraw/zinc/63/69/45/949636945.db2.gz OPNSQCRNZWWTRL-GJZGRUSLSA-N 1 0 386.504 1.833 20 0 GDADRO C[C@@H](CN(C)C(=O)CC1OCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574715080 949642298 /nfs/dbraw/zinc/64/22/98/949642298.db2.gz AOAFDOTVSBCYJO-LBPRGKRZSA-N 1 0 392.435 1.095 20 0 GDADRO C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001574477286 949645521 /nfs/dbraw/zinc/64/55/21/949645521.db2.gz PUBHPGDKAWWBDY-HNNXBMFYSA-N 1 0 382.472 1.605 20 0 GDADRO CC(C)(C)[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573815888 949660775 /nfs/dbraw/zinc/66/07/75/949660775.db2.gz LOMPNGAOLQDJAM-HNNXBMFYSA-N 1 0 384.488 1.300 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575877466 949667182 /nfs/dbraw/zinc/66/71/82/949667182.db2.gz ZUTAFIXJFHDINS-WBMJQRKESA-N 1 0 390.463 1.636 20 0 GDADRO 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C[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882050 949747417 /nfs/dbraw/zinc/74/74/17/949747417.db2.gz FTKPAZPMYKMPFZ-RISCZKNCSA-N 1 0 387.469 1.628 20 0 GDADRO C[C@H](NC(=O)CCc1cn[nH]c1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277364 949751918 /nfs/dbraw/zinc/75/19/18/949751918.db2.gz QDOABDBWDPKXMN-ZDUSSCGKSA-N 1 0 380.456 1.159 20 0 GDADRO CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C=Cc1ccc[nH]1 ZINC001573819321 949753220 /nfs/dbraw/zinc/75/32/20/949753220.db2.gz SYRQXZPOAUAHOL-FYCOFBDGSA-N 1 0 380.456 1.668 20 0 GDADRO C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1cncc(-c2nn[nH]n2)n1 ZINC001576171495 949769290 /nfs/dbraw/zinc/76/92/90/949769290.db2.gz RGBKYKVZVFKQPC-ZFWWWQNUSA-N 1 0 387.492 1.038 20 0 GDADRO C[C@H](NC(=O)CCc1cnccn1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575278874 949775552 /nfs/dbraw/zinc/77/55/52/949775552.db2.gz WKUHKBAPLXOFTF-AWEZNQCLSA-N 1 0 392.467 1.226 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574718333 949776414 /nfs/dbraw/zinc/77/64/14/949776414.db2.gz ZYKUYZMNOWKAEF-DIFFPNOSSA-N 1 0 378.502 1.416 20 0 GDADRO C[C@@H](CN(C)C(=O)CC1OCCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574718572 949785674 /nfs/dbraw/zinc/78/56/74/949785674.db2.gz ZIOGVUUFSZNHJL-NSHDSACASA-N 1 0 380.474 1.018 20 0 GDADRO C[C@@H]1[C@H](NC(=O)Cc2ccon2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882868 949790683 /nfs/dbraw/zinc/79/06/83/949790683.db2.gz ORIUZKWUAIDZOL-BXUZGUMPSA-N 1 0 387.469 1.628 20 0 GDADRO C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574964980 949791377 /nfs/dbraw/zinc/79/13/77/949791377.db2.gz COKVODVBHQCRQT-MOFZMDFASA-N 1 0 388.447 1.559 20 0 GDADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1nccnc1-c1nn[nH]n1 ZINC001576172292 949795314 /nfs/dbraw/zinc/79/53/14/949795314.db2.gz WCCDZBHELSTOFI-UONOGXRCSA-N 1 0 387.492 1.036 20 0 GDADRO CC(C)C[C@H](C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574139009 949804748 /nfs/dbraw/zinc/80/47/48/949804748.db2.gz HJMDEFQRMIEXAD-DZGCQCFKSA-N 1 0 375.477 1.308 20 0 GDADRO C[C@H](CN(C)C(=O)CCCn1ccnc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574722726 949843988 /nfs/dbraw/zinc/84/39/88/949843988.db2.gz WCMUDQGZEOKQFC-OAHLLOKOSA-N 1 0 382.472 1.480 20 0 GDADRO C[C@@H](CN(C)C(=O)CCn1cccn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574724259 949867472 /nfs/dbraw/zinc/86/74/72/949867472.db2.gz FVTQYEKUVMKNFL-ZDUSSCGKSA-N 1 0 386.435 1.229 20 0 GDADRO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575564778 949871929 /nfs/dbraw/zinc/87/19/29/949871929.db2.gz SJUHCPIVAKOHTC-OXQOHEQNSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575886167 949875784 /nfs/dbraw/zinc/87/57/84/949875784.db2.gz XILFFVVXDIRCMB-LDYHSIQDSA-N 1 0 388.497 1.290 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576178613 949893221 /nfs/dbraw/zinc/89/32/21/949893221.db2.gz CGNBCWANEVMJPM-ABAIWWIYSA-N 1 0 384.469 1.493 20 0 GDADRO C[C@H]1CCN(C(=O)C(F)F)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576178696 949898500 /nfs/dbraw/zinc/89/85/00/949898500.db2.gz IIXVFCAEHJEQLP-CMPLNLGQSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@H]1CCCN(C(=O)c2ccnnc2)[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576178949 949903873 /nfs/dbraw/zinc/90/38/73/949903873.db2.gz DGIQYRUQPQZFMC-KSSFIOAISA-N 1 0 392.467 1.687 20 0 GDADRO C[C@H](CN(C)C(=O)CCc1nccs1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574726015 949923468 /nfs/dbraw/zinc/92/34/68/949923468.db2.gz WUNLDFWVGHOHQY-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO CC1(C(=O)N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)CCCC1 ZINC001575571207 949953790 /nfs/dbraw/zinc/95/37/90/949953790.db2.gz YTNAAIJBKVSYSA-DLBZAZTESA-N 1 0 384.484 1.498 20 0 GDADRO C[C@@H](CN(C)C(=O)COC1CCCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574727131 949955950 /nfs/dbraw/zinc/95/59/50/949955950.db2.gz PSZXOWXLVZRGFD-ZDUSSCGKSA-N 1 0 390.463 1.902 20 0 GDADRO 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C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccccn1 ZINC001575907813 950345916 /nfs/dbraw/zinc/34/59/16/950345916.db2.gz RELTUUUZDQKSBW-DNVCBOLYSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)c1ccn(C)c1 ZINC001575907979 950347355 /nfs/dbraw/zinc/34/73/55/950347355.db2.gz SDAXRPWNZZOCTN-YVEFUNNKSA-N 1 0 383.431 1.737 20 0 GDADRO CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CCCO2)CC1 ZINC001575595216 950352338 /nfs/dbraw/zinc/35/23/38/950352338.db2.gz NPMRFABKSADMSM-GFCCVEGCSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575908239 950356281 /nfs/dbraw/zinc/35/62/81/950356281.db2.gz SWOZAZYJSPUAHJ-SUMWQHHRSA-N 1 0 392.467 1.402 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575908132 950356609 /nfs/dbraw/zinc/35/66/09/950356609.db2.gz ALESELPNAQMNTC-BLLLJJGKSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575908313 950359231 /nfs/dbraw/zinc/35/92/31/950359231.db2.gz UHUXYAYTGMANJK-BONVTDFDSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H](O)c1ccccc1F ZINC001574744765 950362009 /nfs/dbraw/zinc/36/20/09/950362009.db2.gz AUZAEZUKLDYWNN-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]Cc1cc(CO)ccc1F ZINC001574744732 950362187 /nfs/dbraw/zinc/36/21/87/950362187.db2.gz AANXQBKQUVSFFX-NSHDSACASA-N 1 0 387.419 1.077 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cc(C2CC2)n[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574744974 950368332 /nfs/dbraw/zinc/36/83/32/950368332.db2.gz DPKVPDYDIFURJQ-LBPRGKRZSA-N 1 0 380.456 1.718 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)C1CC(F)(F)C1 ZINC001575908556 950369667 /nfs/dbraw/zinc/36/96/67/950369667.db2.gz VFLJBZCHDLNCRJ-ABAIWWIYSA-N 1 0 376.411 1.991 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCc1ccncn1 ZINC001575908539 950371437 /nfs/dbraw/zinc/37/14/37/950371437.db2.gz UWOWCXDSDRZMMV-RDTXWAMCSA-N 1 0 392.467 1.369 20 0 GDADRO CC1CC[NH+](CC(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001576196931 950379879 /nfs/dbraw/zinc/37/98/79/950379879.db2.gz JJEGACYITVMXNU-MRXNPFEDSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575597011 950398633 /nfs/dbraw/zinc/39/86/33/950398633.db2.gz LAJQUTKQAGKRAO-VPWXQRGCSA-N 1 0 384.484 1.668 20 0 GDADRO CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001576198029 950406020 /nfs/dbraw/zinc/40/60/20/950406020.db2.gz RDUYOTQJDZMVER-MRXNPFEDSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[nH]n4)cn3)C2)C1 ZINC001576198897 950414111 /nfs/dbraw/zinc/41/41/11/950414111.db2.gz WITZCXAGLBPQAB-GDBMZVCRSA-N 1 0 384.488 1.031 20 0 GDADRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575910599 950420867 /nfs/dbraw/zinc/42/08/67/950420867.db2.gz MBYBWNQBPYDCJY-WBMJQRKESA-N 1 0 392.467 1.860 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001576199290 950423386 /nfs/dbraw/zinc/42/33/86/950423386.db2.gz YGIWIXZLJROFGL-KGLIPLIRSA-N 1 0 389.529 1.303 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001574992098 950432189 /nfs/dbraw/zinc/43/21/89/950432189.db2.gz XABYLRZHLIALJP-CYBMUJFWSA-N 1 0 379.468 1.934 20 0 GDADRO CC(C)CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC1 ZINC001574165504 950447147 /nfs/dbraw/zinc/44/71/47/950447147.db2.gz FLYQUGVGCLHWPT-KRWDZBQOSA-N 1 0 386.500 1.650 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NC2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)C1 ZINC001576204101 950453314 /nfs/dbraw/zinc/45/33/14/950453314.db2.gz LPBVIRNIXXIWPZ-CYBMUJFWSA-N 1 0 387.463 1.433 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H](CNc2cccc(F)c2-c2nn[nH]n2)C2CC2)C1 ZINC001576204644 950467129 /nfs/dbraw/zinc/46/71/29/950467129.db2.gz QXDKJDGYSNVTDQ-MLGOLLRUSA-N 1 0 387.463 1.654 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001574993630 950467757 /nfs/dbraw/zinc/46/77/57/950467757.db2.gz LQRRMGMUYMPAFK-SNVBAGLBSA-N 1 0 375.383 1.424 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]C[C@@H](O)c1ccccc1Cl ZINC001574994187 950474402 /nfs/dbraw/zinc/47/44/02/950474402.db2.gz OWAJDYFKKYNLNB-ZUZCIYMTSA-N 1 0 389.847 1.290 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc[nH]c(=O)c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574752469 950488058 /nfs/dbraw/zinc/48/80/58/950488058.db2.gz XDQQUKNXOOUCCW-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574752556 950492017 /nfs/dbraw/zinc/49/20/17/950492017.db2.gz YBVCJYBEGWEAIH-GFCCVEGCSA-N 1 0 381.440 1.728 20 0 GDADRO CC(C)CCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574168570 950517244 /nfs/dbraw/zinc/51/72/44/950517244.db2.gz YYUZMWWGUKDAMW-CQSZACIVSA-N 1 0 378.452 1.351 20 0 GDADRO C[C@H](C[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205464 950518116 /nfs/dbraw/zinc/51/81/16/950518116.db2.gz YVPWVZOCGFVYAP-UONOGXRCSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@H](C[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205460 950519168 /nfs/dbraw/zinc/51/91/68/950519168.db2.gz YVPWVZOCGFVYAP-KBPBESRZSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCN2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205430 950519811 /nfs/dbraw/zinc/51/98/11/950519811.db2.gz IWJLFQIQQWNFSY-XJKSGUPXSA-N 1 0 387.463 1.038 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001576205462 950520837 /nfs/dbraw/zinc/52/08/37/950520837.db2.gz YVPWVZOCGFVYAP-KGLIPLIRSA-N 1 0 387.492 1.084 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]C[C@@H](O)c1ccccc1F ZINC001574753330 950521440 /nfs/dbraw/zinc/52/14/40/950521440.db2.gz FITAYWQNHVJAGG-MEDUHNTESA-N 1 0 387.419 1.118 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1cscn1 ZINC001575915840 950523710 /nfs/dbraw/zinc/52/37/10/950523710.db2.gz XMUYHQXXNVNQKI-LRDDRELGSA-N 1 0 383.481 1.645 20 0 GDADRO C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CCc2ccccc21 ZINC001575609237 950524033 /nfs/dbraw/zinc/52/40/33/950524033.db2.gz WUPIHFBBDFNOIZ-LRAJWGHMSA-N 1 0 389.463 1.647 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573867386 950532140 /nfs/dbraw/zinc/53/21/40/950532140.db2.gz YEJUDFYAJBMBJO-AWEZNQCLSA-N 1 0 390.463 1.902 20 0 GDADRO CC(C)(C)OCC(=O)NC1CC2(C1)CC(Nc1cc[nH+]cc1-c1nn[nH]n1)C2 ZINC001573868325 950538713 /nfs/dbraw/zinc/53/87/13/950538713.db2.gz BDQUCZIMKGCXKV-UHFFFAOYSA-N 1 0 385.472 1.338 20 0 GDADRO C[C@@H](CCNC(=O)C[C@H](C)n1cccn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574510037 950542501 /nfs/dbraw/zinc/54/25/01/950542501.db2.gz YRQMHHDIFUFZEE-GJZGRUSLSA-N 1 0 382.472 1.699 20 0 GDADRO C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001576206628 950575757 /nfs/dbraw/zinc/57/57/57/950575757.db2.gz YLFSOMKAYLKQQI-CYBMUJFWSA-N 1 0 390.467 1.297 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[C@@H](C)n1ccnc1 ZINC001574512707 950585541 /nfs/dbraw/zinc/58/55/41/950585541.db2.gz AANJMKFIIFOVGO-CHWSQXEVSA-N 1 0 386.435 1.448 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575000067 950592592 /nfs/dbraw/zinc/59/25/92/950592592.db2.gz AEXAPDXQHYVLTK-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574513173 950594701 /nfs/dbraw/zinc/59/47/01/950594701.db2.gz IWTLMEBCKOBMAS-ZIAGYGMSSA-N 1 0 382.472 1.388 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001576208222 950604293 /nfs/dbraw/zinc/60/42/93/950604293.db2.gz NQECKERFQAJEFC-GUTXKFCHSA-N 1 0 387.463 1.431 20 0 GDADRO CC(C)(C)OCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCCC1 ZINC001573871604 950621850 /nfs/dbraw/zinc/62/18/50/950621850.db2.gz SYBRZDJKAXAUPF-UHFFFAOYSA-N 1 0 387.488 1.730 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cccn1 ZINC001574515135 950621960 /nfs/dbraw/zinc/62/19/60/950621960.db2.gz AEBPHTXETVTHTL-CKNFYHOISA-N 1 0 392.467 1.261 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573873658 950652509 /nfs/dbraw/zinc/65/25/09/950652509.db2.gz WVWVDJGTFBBBTK-HAQNSBGRSA-N 1 0 378.502 1.728 20 0 GDADRO C[C@H](CNC(=O)c1cc(F)c[nH]1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575002815 950668848 /nfs/dbraw/zinc/66/88/48/950668848.db2.gz XFPHWUJUWAYCSV-SNVBAGLBSA-N 1 0 375.383 1.723 20 0 GDADRO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924335 950670384 /nfs/dbraw/zinc/67/03/84/950670384.db2.gz FFEQIGAUXAESRQ-MEBBXXQBSA-N 1 0 385.378 1.677 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925203 950679015 /nfs/dbraw/zinc/67/90/15/950679015.db2.gz GPASDOHIRFTCKB-FZMZJTMJSA-N 1 0 391.439 1.066 20 0 GDADRO C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575005539 950689752 /nfs/dbraw/zinc/68/97/52/950689752.db2.gz HMYDRGXEJWAUBD-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CC1 ZINC001574519999 950707459 /nfs/dbraw/zinc/70/74/59/950707459.db2.gz ZIGBJEBLGIEQOW-MYRBDLLGSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CC1 ZINC001574519998 950709967 /nfs/dbraw/zinc/70/99/67/950709967.db2.gz ZIGBJEBLGIEQOW-GLCQIGPWSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575926827 950723261 /nfs/dbraw/zinc/72/32/61/950723261.db2.gz MDGXSRHADFYNRW-GWCFXTLKSA-N 1 0 386.847 1.391 20 0 GDADRO C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001575926956 950726046 /nfs/dbraw/zinc/72/60/46/950726046.db2.gz ZJIUFAXLQNOAMJ-DOMZBBRYSA-N 1 0 387.463 1.891 20 0 GDADRO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001573879882 950733108 /nfs/dbraw/zinc/73/31/08/950733108.db2.gz NDNPSHYZGDWZFG-VQHPVUNQSA-N 1 0 384.484 1.210 20 0 GDADRO CC1(C)CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575629597 950743422 /nfs/dbraw/zinc/74/34/22/950743422.db2.gz QOQLRPZLDDWOQJ-ZDUSSCGKSA-N 1 0 376.436 1.009 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cncs1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574764527 950753651 /nfs/dbraw/zinc/75/36/51/950753651.db2.gz VCAMIKGGRQKKJB-JTQLQIEISA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575928034 950767304 /nfs/dbraw/zinc/76/73/04/950767304.db2.gz XUKPFEIASBLHBA-LRDDRELGSA-N 1 0 391.435 1.334 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1ccon1 ZINC001574521078 950768264 /nfs/dbraw/zinc/76/82/64/950768264.db2.gz CWSRLKCQNGNLNI-QWRGUYRKSA-N 1 0 375.458 1.532 20 0 GDADRO C[C@H](CN(C)C(=O)c1csc(=O)[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574765018 950770356 /nfs/dbraw/zinc/77/03/56/950770356.db2.gz BUFSJCFLXGVJHG-SECBINFHSA-N 1 0 391.432 1.418 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1cnn(C)c1 ZINC001574521323 950774357 /nfs/dbraw/zinc/77/43/57/950774357.db2.gz FKNZHRJWHCPISV-ZIAGYGMSSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574765203 950777720 /nfs/dbraw/zinc/77/77/20/950777720.db2.gz GOVKHEYWFRSUKH-MRVPVSSYSA-N 1 0 378.849 1.366 20 0 GDADRO C[C@@H]1CN(C(=O)C(C)(F)F)CC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576218348 950785052 /nfs/dbraw/zinc/78/50/52/950785052.db2.gz LLAIBMSJEXNGOL-YGRLFVJLSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)C1=CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574522556 950799086 /nfs/dbraw/zinc/79/90/86/950799086.db2.gz KWCXXJPNYYPGQB-OLZOCXBDSA-N 1 0 388.447 1.725 20 0 GDADRO C[C@@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)CCC[NH+](C)C ZINC001575931138 950799491 /nfs/dbraw/zinc/79/94/91/950799491.db2.gz HANGKBZIKBYKLL-BXUZGUMPSA-N 1 0 376.440 1.144 20 0 GDADRO CC(C)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574186504 950812538 /nfs/dbraw/zinc/81/25/38/950812538.db2.gz FLXDHHMNDKMAJW-RHSMWYFYSA-N 1 0 387.488 1.538 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)CCn1ccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574524371 950857417 /nfs/dbraw/zinc/85/74/17/950857417.db2.gz VZDLUJLRNVTDDY-OLZOCXBDSA-N 1 0 388.501 1.588 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)Cc1ccon1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574524736 950871759 /nfs/dbraw/zinc/87/17/59/950871759.db2.gz ZAGJHQUCTTXVKD-NEPJUHHUSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1cnoc1 ZINC001574524867 950876895 /nfs/dbraw/zinc/87/68/95/950876895.db2.gz ZVLWUNNBYVCFLE-VXGBXAGGSA-N 1 0 387.419 1.609 20 0 GDADRO C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576225933 950879943 /nfs/dbraw/zinc/87/99/43/950879943.db2.gz ACTFLUMXKWGXPN-ABAIWWIYSA-N 1 0 391.426 1.768 20 0 GDADRO C[C@H](CN(C)C(=O)c1csc(Cl)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574768591 950893311 /nfs/dbraw/zinc/89/33/11/950893311.db2.gz ZPUGWMXIYOEEDR-SECBINFHSA-N 1 0 377.861 1.971 20 0 GDADRO C[C@H]1CN(C(=O)C2CCOCC2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576227243 950906206 /nfs/dbraw/zinc/90/62/06/950906206.db2.gz FGULMWHRWZGSKP-YVEFUNNKSA-N 1 0 388.447 1.369 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnccn1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574527840 950908518 /nfs/dbraw/zinc/90/85/18/950908518.db2.gz HYAWVEMKXOZHAZ-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cncn1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574527828 950909910 /nfs/dbraw/zinc/90/99/10/950909910.db2.gz HVMBWNHWGVMVPO-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO CC1(C)C[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575641262 950912902 /nfs/dbraw/zinc/91/29/02/950912902.db2.gz CAQFCYJCFMIHIE-ACJLOTCBSA-N 1 0 390.513 1.417 20 0 GDADRO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576227642 950919619 /nfs/dbraw/zinc/91/96/19/950919619.db2.gz GUEBXONRPDQUJP-ABAIWWIYSA-N 1 0 388.451 1.001 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1n[nH]cc1F ZINC001574528149 950926833 /nfs/dbraw/zinc/92/68/33/950926833.db2.gz LOEMNFRNJSCARI-VHSXEESVSA-N 1 0 390.398 1.555 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)c1csnn1 ZINC001574528485 950932385 /nfs/dbraw/zinc/93/23/85/950932385.db2.gz MWPQUQVAJIRTMJ-NXEZZACHSA-N 1 0 390.448 1.544 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1ccnn1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574528889 950940367 /nfs/dbraw/zinc/94/03/67/950940367.db2.gz ONXMCJJTNGIZQV-NEPJUHHUSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1ncccn1 ZINC001574529079 950947474 /nfs/dbraw/zinc/94/74/74/950947474.db2.gz PRXJZFNSNBEWLJ-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](CN(C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574772126 950956867 /nfs/dbraw/zinc/95/68/67/950956867.db2.gz PSMHHEJQSAZCNZ-CXAGYDPISA-N 1 0 389.479 1.427 20 0 GDADRO CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001575017110 950976698 /nfs/dbraw/zinc/97/66/98/950976698.db2.gz ADCXOHVSXMXHFB-ZDUSSCGKSA-N 1 0 380.456 1.680 20 0 GDADRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C1(C(F)F)CC1 ZINC001574773237 950983080 /nfs/dbraw/zinc/98/30/80/950983080.db2.gz WFYFXANNSNNSGK-SNVBAGLBSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001575938575 950986051 /nfs/dbraw/zinc/98/60/51/950986051.db2.gz LNHYOHJNGKNMKZ-MAUKXSAKSA-N 1 0 386.500 1.962 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@H](C)c1cc(F)ccc1F ZINC001575017270 950986344 /nfs/dbraw/zinc/98/63/44/950986344.db2.gz JJKSOXAICTYXHL-NXEZZACHSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ncccn1 ZINC001574530693 950993258 /nfs/dbraw/zinc/99/32/58/950993258.db2.gz VTKOQLWFGXOPFH-VXGBXAGGSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccnn1C ZINC001574530803 951003492 /nfs/dbraw/zinc/00/34/92/951003492.db2.gz XHQAXULGCSWHOD-NWDGAFQWSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)COC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575024668 951112710 /nfs/dbraw/zinc/11/27/10/951112710.db2.gz KFNANJVDNBFDLU-ZDUSSCGKSA-N 1 0 378.436 1.805 20 0 GDADRO C[C@@H](CNC(=O)c1ccc2c(c1)COC2)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025093 951125434 /nfs/dbraw/zinc/12/54/34/951125434.db2.gz UXNFWGCLWRQXET-GFCCVEGCSA-N 1 0 379.424 1.192 20 0 GDADRO C[C@H](CNC(=O)c1cccc(CNc2ncccc2-c2nn[nH]n2)c1)[NH+](C)C ZINC001575025958 951137858 /nfs/dbraw/zinc/13/78/58/951137858.db2.gz DLBWTGXICRVBLU-CYBMUJFWSA-N 1 0 380.456 1.554 20 0 GDADRO C[C@@H](CNC(=O)c1cccn2nccc12)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575031998 951213444 /nfs/dbraw/zinc/21/34/44/951213444.db2.gz NRWNDMDVGNUQLE-ZDUSSCGKSA-N 1 0 376.424 1.423 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575043785 951401708 /nfs/dbraw/zinc/40/17/08/951401708.db2.gz VGRSRKSAFAHLJT-SNVBAGLBSA-N 1 0 386.485 1.447 20 0 GDADRO CC(C)c1ncncc1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575045372 951424513 /nfs/dbraw/zinc/42/45/13/951424513.db2.gz BBIXTEJAJPIPAX-CYBMUJFWSA-N 1 0 380.456 1.688 20 0 GDADRO C[C@H](CNC(=O)c1cnc(Cl)n1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575045122 951425897 /nfs/dbraw/zinc/42/58/97/951425897.db2.gz ZNAQARVEMNNZQC-SECBINFHSA-N 1 0 392.826 1.301 20 0 GDADRO CC(C)c1ncncc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575046200 951438570 /nfs/dbraw/zinc/43/85/70/951438570.db2.gz LAKIGHYWCWUHQD-LLVKDONJSA-N 1 0 386.485 1.750 20 0 GDADRO CC(C)c1ncncc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575046399 951440199 /nfs/dbraw/zinc/44/01/99/951440199.db2.gz NRVXLUSPUVAITO-CYBMUJFWSA-N 1 0 380.456 1.688 20 0 GDADRO C[C@H](CNC(=O)c1cncnc1C1CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575047153 951453083 /nfs/dbraw/zinc/45/30/83/951453083.db2.gz YAJIVLXJHZOFCW-GFCCVEGCSA-N 1 0 378.440 1.442 20 0 GDADRO C[C@@H](CNC(=O)c1cnns1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575054284 951492069 /nfs/dbraw/zinc/49/20/69/951492069.db2.gz HSMMOLIQJBFGSR-VIFPVBQESA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575054598 951494322 /nfs/dbraw/zinc/49/43/22/951494322.db2.gz JBKMVNWTWPTXNL-ZDUSSCGKSA-N 1 0 380.456 1.381 20 0 GDADRO C[C@H](CNC(=O)c1csc(Cl)n1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575060772 951546988 /nfs/dbraw/zinc/54/69/88/951546988.db2.gz GISUKMFKFXSPLC-MRVPVSSYSA-N 1 0 378.849 1.626 20 0 GDADRO C[C@@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575062088 951565582 /nfs/dbraw/zinc/56/55/82/951565582.db2.gz SUOSDNGHYSCUIW-JTQLQIEISA-N 1 0 386.485 1.668 20 0 GDADRO C[C@@H](CNC(=O)c1nn(C)cc1Cl)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575064605 951573556 /nfs/dbraw/zinc/57/35/56/951573556.db2.gz ARYYCYQKAYKQBW-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1ncoc1C1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575064879 951578338 /nfs/dbraw/zinc/57/83/38/951578338.db2.gz FANKTIRRIOQGSW-SNVBAGLBSA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1ncoc1C1CC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575064877 951579322 /nfs/dbraw/zinc/57/93/22/951579322.db2.gz FANKTIRRIOQGSW-JTQLQIEISA-N 1 0 385.403 1.779 20 0 GDADRO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C[NH2+]C[C@@H](O)C1CCCCC1 ZINC001575077130 951663050 /nfs/dbraw/zinc/66/30/50/951663050.db2.gz CYCDMHFUXRNFJK-MLGOLLRUSA-N 1 0 375.477 1.092 20 0 GDADRO C[C@H](CNC(=O)c1nccs1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077188 951663635 /nfs/dbraw/zinc/66/36/35/951663635.db2.gz AAMBAXNMDHMHIR-JTQLQIEISA-N 1 0 375.433 1.618 20 0 GDADRO C[C@@H](CNC(=O)CCc1ccon1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078857 951684299 /nfs/dbraw/zinc/68/42/99/951684299.db2.gz APGSRKSIHZIIJC-GFCCVEGCSA-N 1 0 387.419 1.469 20 0 GDADRO C[C@H](CNC(=O)c1cc(F)c[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078940 951685983 /nfs/dbraw/zinc/68/59/83/951685983.db2.gz ODRSFTXBYFSLJZ-JTQLQIEISA-N 1 0 375.383 1.629 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCOCC1 ZINC001575079733 951696229 /nfs/dbraw/zinc/69/62/29/951696229.db2.gz GDOCBEMOUREWJD-KBPBESRZSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC001575079975 951701109 /nfs/dbraw/zinc/70/11/09/951701109.db2.gz IBWBZENTPXLFIV-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@H](CNC(=O)CC[C@@H]1CCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080075 951703240 /nfs/dbraw/zinc/70/32/40/951703240.db2.gz ULVOPJVSTITAPO-CJNGLKHVSA-N 1 0 390.463 1.807 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]C[C@H](O)C1CCCCC1 ZINC001575080267 951708701 /nfs/dbraw/zinc/70/87/01/951708701.db2.gz QSMLENJZFDQIPK-WBMJQRKESA-N 1 0 375.477 1.092 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1ccccc1O ZINC001575081184 951720105 /nfs/dbraw/zinc/72/01/05/951720105.db2.gz PGOKUSFJPDTRDB-GFCCVEGCSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)COC1CCCC1 ZINC001575081212 951720942 /nfs/dbraw/zinc/72/09/42/951720942.db2.gz PWLXTTARGHLIDT-CYBMUJFWSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)c1n[nH]cc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082172 951730347 /nfs/dbraw/zinc/73/03/47/951730347.db2.gz VISXYTANUNEBSX-VIFPVBQESA-N 1 0 376.371 1.024 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(O)ccc1Cl)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575082149 951731422 /nfs/dbraw/zinc/73/14/22/951731422.db2.gz UYEACVYGZBPUSH-SNVBAGLBSA-N 1 0 389.847 1.804 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575082567 951733622 /nfs/dbraw/zinc/73/36/22/951733622.db2.gz XFANUGHPJCWKHF-STQMWFEESA-N 1 0 376.436 1.369 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575088611 951741063 /nfs/dbraw/zinc/74/10/63/951741063.db2.gz BWESCBMUZLQYHV-MOPGFXCFSA-N 1 0 388.447 1.370 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575088846 951742446 /nfs/dbraw/zinc/74/24/46/951742446.db2.gz BYTNGKLRCGOWHO-JXFKEZNVSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@H](CNC(=O)CCc1nccn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089698 951753879 /nfs/dbraw/zinc/75/38/79/951753879.db2.gz HSBVXOVIALHRDW-CQSZACIVSA-N 1 0 382.472 1.075 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575090118 951756387 /nfs/dbraw/zinc/75/63/87/951756387.db2.gz JORJEKIIVFSEOV-OFSOMGBPSA-N 1 0 388.447 1.510 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001575090540 951760832 /nfs/dbraw/zinc/76/08/32/951760832.db2.gz LUYWFQSOJVOLJW-ICCXJUOJSA-N 1 0 382.390 1.844 20 0 GDADRO C[C@H](CNC(=O)CCn1cccn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091330 951773237 /nfs/dbraw/zinc/77/32/37/951773237.db2.gz RKFXTCNFZPCPBG-ZDUSSCGKSA-N 1 0 386.435 1.135 20 0 GDADRO C[C@@H](CNC(=O)c1ccncc1F)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091751 951782621 /nfs/dbraw/zinc/78/26/21/951782621.db2.gz XNTPUFCGPYGDFM-LLVKDONJSA-N 1 0 387.394 1.696 20 0 GDADRO 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O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ocnc1C1CC1 ZINC001571140628 952627653 /nfs/dbraw/zinc/62/76/53/952627653.db2.gz DJCQMCJNNCAABA-OAHLLOKOSA-N 1 0 379.424 1.736 20 0 GDADRO O=C(N[C@@H]1C[C@H]([NH2+]Cc2ccccn2)C12CCC2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571141005 952630487 /nfs/dbraw/zinc/63/04/87/952630487.db2.gz FHYGLIQFMIQRQK-JKSUJKDBSA-N 1 0 378.440 1.421 20 0 GDADRO Cc1nnccc1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571141102 952630987 /nfs/dbraw/zinc/63/09/87/952630987.db2.gz GSYUFECXCUNGQI-INIZCTEOSA-N 1 0 378.440 1.360 20 0 GDADRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)c1cnccn1 ZINC001571141632 952634965 /nfs/dbraw/zinc/63/49/65/952634965.db2.gz JGPQSUGHOQLNDH-WKILWMFISA-N 1 0 378.440 1.488 20 0 GDADRO C[C@@]1(NC(=O)c2cccc(=O)[nH]2)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571141741 952636089 /nfs/dbraw/zinc/63/60/89/952636089.db2.gz LZZZYCCPDQDCNU-LJQANCHMSA-N 1 0 379.424 1.362 20 0 GDADRO COCc1cccc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571141776 952636227 /nfs/dbraw/zinc/63/62/27/952636227.db2.gz MJQRYXXWFPSSBM-GASCZTMLSA-N 1 0 379.424 1.203 20 0 GDADRO CC[C@H](OC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571142300 952639900 /nfs/dbraw/zinc/63/99/00/952639900.db2.gz OOFMTPORKBMWDZ-JSGCOSHPSA-N 1 0 378.502 1.824 20 0 GDADRO O=C(c1ccoc1)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C1 ZINC001571147798 952664290 /nfs/dbraw/zinc/66/42/90/952664290.db2.gz QKLZPIQDKZEMPP-APHBMKBZSA-N 1 0 379.424 1.629 20 0 GDADRO CCc1ccc(CC[N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 ZINC001571151732 952678371 /nfs/dbraw/zinc/67/83/71/952678371.db2.gz VVNBQRISANLIJW-QGZVFWFLSA-N 1 0 379.468 1.804 20 0 GDADRO CCc1nn(C)cc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571165430 952750820 /nfs/dbraw/zinc/75/08/20/952750820.db2.gz CZZZYUNCHNPQNU-HNNXBMFYSA-N 1 0 380.456 1.167 20 0 GDADRO CCCc1[nH]ccc1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571165619 952753222 /nfs/dbraw/zinc/75/32/22/952753222.db2.gz GYDWYMHVILAQGV-CYBMUJFWSA-N 1 0 380.456 1.859 20 0 GDADRO CC[C@H]1CN(C(=O)c2ncc[nH]2)CC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571166511 952762048 /nfs/dbraw/zinc/76/20/48/952762048.db2.gz MOWBEIVARZWIGB-XJKSGUPXSA-N 1 0 380.456 1.620 20 0 GDADRO CCn1cc(C(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c(C)n1 ZINC001571169382 952772546 /nfs/dbraw/zinc/77/25/46/952772546.db2.gz BCNKBWFOUCUYHR-UHFFFAOYSA-N 1 0 380.456 1.253 20 0 GDADRO Cc1cc(NCC[C@@H]2CCN(C(=O)c3cccn3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169462 952773875 /nfs/dbraw/zinc/77/38/75/952773875.db2.gz DDOLLYPDQAWGIK-CQSZACIVSA-N 1 0 380.456 1.295 20 0 GDADRO CCn1ccnc1C(=O)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571169775 952778165 /nfs/dbraw/zinc/77/81/65/952778165.db2.gz MYJXKSUWMNVGMB-UHFFFAOYSA-N 1 0 380.456 1.478 20 0 GDADRO Cc1ccncc1C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571169772 952778236 /nfs/dbraw/zinc/77/82/36/952778236.db2.gz MSHUKIVYSUQPEC-CQSZACIVSA-N 1 0 380.456 1.492 20 0 GDADRO Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169783 952778342 /nfs/dbraw/zinc/77/83/42/952778342.db2.gz NDLLXGFZPOEDJC-WFASDCNBSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]n1 ZINC001571169738 952778406 /nfs/dbraw/zinc/77/84/06/952778406.db2.gz LKKVCVQQOJYHMN-XJKSGUPXSA-N 1 0 380.456 1.539 20 0 GDADRO Cc1cc(NC[C@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169840 952779120 /nfs/dbraw/zinc/77/91/20/952779120.db2.gz PBHQAFCBPWBBIY-OCCSQVGLSA-N 1 0 380.456 1.069 20 0 GDADRO Cc1n[nH]cc1C(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169823 952779658 /nfs/dbraw/zinc/77/96/58/952779658.db2.gz ORRHJROMEIWCNF-CVEARBPZSA-N 1 0 380.456 1.729 20 0 GDADRO Cc1c[nH]c(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)[C@H](C)C2)n1 ZINC001571170618 952786953 /nfs/dbraw/zinc/78/69/53/952786953.db2.gz XGUCFKOMDNNNDK-MLGOLLRUSA-N 1 0 380.456 1.396 20 0 GDADRO CN(C)c1cccc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571170865 952789114 /nfs/dbraw/zinc/78/91/14/952789114.db2.gz YCJXWDSPHHQWFU-CQSZACIVSA-N 1 0 380.456 1.265 20 0 GDADRO Cc1ccc(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nn[nH]n2)n1C ZINC001571170924 952790569 /nfs/dbraw/zinc/79/05/69/952790569.db2.gz ZNEKMCMQWDVZJF-CQSZACIVSA-N 1 0 380.456 1.356 20 0 GDADRO O=C(Cc1cc[nH]n1)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172309 952805229 /nfs/dbraw/zinc/80/52/29/952805229.db2.gz SKKXGPPTEYUXGS-LSDHHAIUSA-N 1 0 380.456 1.350 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc(F)cn2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571178382 952841160 /nfs/dbraw/zinc/84/11/60/952841160.db2.gz HJNMVFVBBPJVQW-SJCJKPOMSA-N 1 0 381.415 1.651 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(CO)cc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571179222 952850625 /nfs/dbraw/zinc/85/06/25/952850625.db2.gz ADOGUSQRULPWSH-OAHLLOKOSA-N 1 0 381.440 1.082 20 0 GDADRO O=C(NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1ncccc1F ZINC001571182766 952868623 /nfs/dbraw/zinc/86/86/23/952868623.db2.gz DZKZLDMPYIVDRW-UHFFFAOYSA-N 1 0 381.415 1.699 20 0 GDADRO COc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571183051 952872892 /nfs/dbraw/zinc/87/28/92/952872892.db2.gz NAPYGHKZUWNDGF-DOMZBBRYSA-N 1 0 381.440 1.596 20 0 GDADRO CCc1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)no1 ZINC001571183169 952874725 /nfs/dbraw/zinc/87/47/25/952874725.db2.gz QWQJTACNBLGVON-OAHLLOKOSA-N 1 0 381.440 1.812 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571183212 952875365 /nfs/dbraw/zinc/87/53/65/952875365.db2.gz SQXQENDRBMXHQF-MLGOLLRUSA-N 1 0 381.440 1.080 20 0 GDADRO CCc1nc(C(=O)N[C@@H](C)C2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571183415 952877760 /nfs/dbraw/zinc/87/77/60/952877760.db2.gz ZTPHMISGXNNQBN-LBPRGKRZSA-N 1 0 381.440 1.667 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001571183668 952880817 /nfs/dbraw/zinc/88/08/17/952880817.db2.gz HCCQSVGFADNQST-WFASDCNBSA-N 1 0 381.444 1.015 20 0 GDADRO Cc1[nH]nc(C(=O)N2CC[C@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)c1C ZINC001571185581 952902356 /nfs/dbraw/zinc/90/23/56/952902356.db2.gz NLAUPZKDQZMDBA-CYBMUJFWSA-N 1 0 381.444 1.200 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H](CN(C)c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571188835 952920995 /nfs/dbraw/zinc/92/09/95/952920995.db2.gz NOGQFLZWLHCUJK-CYBMUJFWSA-N 1 0 381.444 1.200 20 0 GDADRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CCN(C(=O)C(F)F)CC1 ZINC001571194761 952968824 /nfs/dbraw/zinc/96/88/24/952968824.db2.gz SBQUNGYIXYOGLZ-JTQLQIEISA-N 1 0 382.390 1.988 20 0 GDADRO O=C(NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)c1cncnc1 ZINC001571199934 953005145 /nfs/dbraw/zinc/00/51/45/953005145.db2.gz CZSPBIUSOIDVDP-UHFFFAOYSA-N 1 0 382.403 1.190 20 0 GDADRO Cc1nocc1C(=O)N1C[C@H](C)[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571201076 953013721 /nfs/dbraw/zinc/01/37/21/953013721.db2.gz JHGIQPYHYFDSSD-GXFFZTMASA-N 1 0 382.428 1.109 20 0 GDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)c1n[nH]cc1F ZINC001571201114 953014631 /nfs/dbraw/zinc/01/46/31/953014631.db2.gz MUSLHAOFHDYZJB-YUELXQCFSA-N 1 0 382.403 1.264 20 0 GDADRO Cc1cnoc1C(=O)N1CCCC[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571201350 953017155 /nfs/dbraw/zinc/01/71/55/953017155.db2.gz KNMQUGHEHXPHAO-CYBMUJFWSA-N 1 0 382.428 1.477 20 0 GDADRO Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)on1 ZINC001571201637 953019796 /nfs/dbraw/zinc/01/97/96/953019796.db2.gz MAWXZLLATHIEBV-OCCSQVGLSA-N 1 0 382.428 1.381 20 0 GDADRO Cc1noc(C)c1C(=O)NCC1CC(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571202193 953023124 /nfs/dbraw/zinc/02/31/24/953023124.db2.gz ROFSJKFDRMUJJI-UHFFFAOYSA-N 1 0 382.428 1.217 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)c3cc(C(C)C)on3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571202200 953023175 /nfs/dbraw/zinc/02/31/75/953023175.db2.gz ROSPSXOXJDEGGN-GFCCVEGCSA-N 1 0 382.428 1.430 20 0 GDADRO Cc1cc(CCC(=O)N2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)[C@H]2C)no1 ZINC001571202531 953026929 /nfs/dbraw/zinc/02/69/29/953026929.db2.gz UPAHBRACAQGKAC-IUODEOHRSA-N 1 0 382.428 1.014 20 0 GDADRO Cc1ncoc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 ZINC001571204926 953034061 /nfs/dbraw/zinc/03/40/61/953034061.db2.gz DHLHCQVZNCGNBR-GJZGRUSLSA-N 1 0 382.428 1.322 20 0 GDADRO Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C[C@@H]3C2)o1 ZINC001571206940 953057513 /nfs/dbraw/zinc/05/75/13/953057513.db2.gz ULPTTXHQZJRHRY-OLZOCXBDSA-N 1 0 382.428 1.085 20 0 GDADRO Cc1nonc1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC001571207344 953062106 /nfs/dbraw/zinc/06/21/06/953062106.db2.gz YCIROGATSZAZLW-XHDPSFHLSA-N 1 0 382.428 1.341 20 0 GDADRO Cn1cc([C@@H]2C[C@H]2C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cn1 ZINC001571209752 953066835 /nfs/dbraw/zinc/06/68/35/953066835.db2.gz CQSNAQMEPXXWHR-GOEBONIOSA-N 1 0 382.447 1.665 20 0 GDADRO O=C(NC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCCO1)[C@H]1CC12CC2 ZINC001571209983 953069548 /nfs/dbraw/zinc/06/95/48/953069548.db2.gz KSBZPGBUBRBUIS-DLBZAZTESA-N 1 0 382.468 1.374 20 0 GDADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571212008 953082570 /nfs/dbraw/zinc/08/25/70/953082570.db2.gz HEKUONJWRRHXEV-NXHRZFHOSA-N 1 0 382.468 1.469 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H]1CCCN1C(=O)c1cocn1 ZINC001571219228 953124309 /nfs/dbraw/zinc/12/43/09/953124309.db2.gz MTTNMWKNUOSINR-CQSZACIVSA-N 1 0 383.412 1.258 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H]1C[C@H](NC(=O)c2coc(C)n2)C1 ZINC001571220273 953129265 /nfs/dbraw/zinc/12/92/65/953129265.db2.gz ZYQFFLVJYAGDFK-HDJSIYSDSA-N 1 0 383.412 1.222 20 0 GDADRO C[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571229397 953169347 /nfs/dbraw/zinc/16/93/47/953169347.db2.gz DJNWGRYUPCCYJW-WFASDCNBSA-N 1 0 383.431 1.832 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)n1 ZINC001571232123 953186353 /nfs/dbraw/zinc/18/63/53/953186353.db2.gz BPKBGJLKBUZNAR-MLGOLLRUSA-N 1 0 383.460 1.223 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233794 953196028 /nfs/dbraw/zinc/19/60/28/953196028.db2.gz DHXJHSMYBCSCRL-SFHVURJKSA-N 1 0 383.500 1.384 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233793 953196076 /nfs/dbraw/zinc/19/60/76/953196076.db2.gz DHXJHSMYBCSCRL-GOSISDBHSA-N 1 0 383.500 1.384 20 0 GDADRO Cc1cc(N[C@@H]2CCN(C(=O)CCc3cccs3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571234470 953202106 /nfs/dbraw/zinc/20/21/06/953202106.db2.gz YXLFCDJGZDPKEF-CYBMUJFWSA-N 1 0 383.481 1.699 20 0 GDADRO Cc1nc(C)c(C(=O)NCC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)s1 ZINC001571234447 953202262 /nfs/dbraw/zinc/20/22/62/953202262.db2.gz XYPJFHXEROIBJH-UHFFFAOYSA-N 1 0 383.481 1.802 20 0 GDADRO CC[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571238851 953233520 /nfs/dbraw/zinc/23/35/20/953233520.db2.gz BELWUOULIVDMOD-LSDHHAIUSA-N 1 0 384.419 1.512 20 0 GDADRO C[C@H]1[C@H](NC(=O)c2n[nH]cc2F)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571238917 953234043 /nfs/dbraw/zinc/23/40/43/953234043.db2.gz CCCYZLAQPZMZEG-XHDPSFHLSA-N 1 0 384.419 1.512 20 0 GDADRO CN(C(=O)c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239174 953236435 /nfs/dbraw/zinc/23/64/35/953236435.db2.gz HFUUHJRDKPBAEV-OAHLLOKOSA-N 1 0 384.419 1.086 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1n[nH]cc1F ZINC001571239980 953244625 /nfs/dbraw/zinc/24/46/25/953244625.db2.gz WNHQOOYNCSOUDU-SMDDNHRTSA-N 1 0 384.419 1.512 20 0 GDADRO Cc1c[nH]c(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571239922 953244857 /nfs/dbraw/zinc/24/48/57/953244857.db2.gz UVOXBVULFJZPLV-GFCCVEGCSA-N 1 0 384.419 1.289 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571239975 953245016 /nfs/dbraw/zinc/24/50/16/953245016.db2.gz WLYPPOIQDKEOOC-CYBMUJFWSA-N 1 0 384.419 1.289 20 0 GDADRO O=C(CCc1cn[nH]c1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571241541 953247368 /nfs/dbraw/zinc/24/73/68/953247368.db2.gz CKXPXGYAIASHDM-OAHLLOKOSA-N 1 0 384.419 1.052 20 0 GDADRO Cc1cn(C)nc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571241804 953249917 /nfs/dbraw/zinc/24/99/17/953249917.db2.gz MBKHABXGXYLKSQ-HDJSIYSDSA-N 1 0 384.419 1.098 20 0 GDADRO Cn1nccc1C(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571241864 953250248 /nfs/dbraw/zinc/25/02/48/953250248.db2.gz NVPKJXOXMGVVFT-UHFFFAOYSA-N 1 0 384.419 1.038 20 0 GDADRO O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1ncc[nH]1 ZINC001571242018 953251994 /nfs/dbraw/zinc/25/19/94/953251994.db2.gz SWFAODZGZWVMSL-CHWSQXEVSA-N 1 0 384.419 1.560 20 0 GDADRO CCc1noc(C)c1C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1C ZINC001571242796 953260470 /nfs/dbraw/zinc/26/04/70/953260470.db2.gz ODVFPJOPTMHMGI-IINYFYTJSA-N 1 0 384.444 1.446 20 0 GDADRO CCc1noc(C)c1C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571242921 953261248 /nfs/dbraw/zinc/26/12/48/953261248.db2.gz RAMCFQSYNFTSDT-LBPRGKRZSA-N 1 0 384.444 1.306 20 0 GDADRO CN(C[C@H]1CCN(C(=O)Cc2cscn2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571244580 953265025 /nfs/dbraw/zinc/26/50/25/953265025.db2.gz BNMMESXVADTCEE-GFCCVEGCSA-N 1 0 384.469 1.246 20 0 GDADRO CCN(C(=O)c1ccncn1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571244634 953265534 /nfs/dbraw/zinc/26/55/34/953265534.db2.gz CTUPSRSGLCIUEL-GFCCVEGCSA-N 1 0 384.469 1.455 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC001571245959 953278775 /nfs/dbraw/zinc/27/87/75/953278775.db2.gz PLROCEBMSHYONN-BXUZGUMPSA-N 1 0 384.469 1.359 20 0 GDADRO COc1cccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)c1 ZINC001571246241 953281409 /nfs/dbraw/zinc/28/14/09/953281409.db2.gz WUSYHXAWWPXMEN-CYBMUJFWSA-N 1 0 384.465 1.941 20 0 GDADRO C[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571246307 953282957 /nfs/dbraw/zinc/28/29/57/953282957.db2.gz XTXCKTQQJJNXED-QQPQVQKFSA-N 1 0 384.459 1.988 20 0 GDADRO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@H]2C)o1 ZINC001571247577 953283466 /nfs/dbraw/zinc/28/34/66/953283466.db2.gz ARCPZZDAIXCWTG-BXUZGUMPSA-N 1 0 384.444 1.379 20 0 GDADRO Cc1cc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)on1 ZINC001571247575 953283534 /nfs/dbraw/zinc/28/35/34/953283534.db2.gz ARCKENNLSBBFPD-ZBEGNZNMSA-N 1 0 384.444 1.522 20 0 GDADRO Cc1nc(C)c(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)o1 ZINC001571248092 953289847 /nfs/dbraw/zinc/28/98/47/953289847.db2.gz DOXWMTBRBCQJGR-YGRLFVJLSA-N 1 0 384.444 1.440 20 0 GDADRO Cc1nscc1C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571248252 953291692 /nfs/dbraw/zinc/29/16/92/953291692.db2.gz OODIUPQLTBJPQM-UHFFFAOYSA-N 1 0 384.469 1.602 20 0 GDADRO CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571248517 953294479 /nfs/dbraw/zinc/29/44/79/953294479.db2.gz WEVPODOVLHGIQP-QRWLVFNGSA-N 1 0 384.484 1.859 20 0 GDADRO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571248706 953296362 /nfs/dbraw/zinc/29/63/62/953296362.db2.gz YCEGGCDDLYLRHK-NJAFHUGGSA-N 1 0 384.484 1.762 20 0 GDADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571249099 953300475 /nfs/dbraw/zinc/30/04/75/953300475.db2.gz DFYYHZQOICZJDP-NVXWUHKLSA-N 1 0 384.488 1.539 20 0 GDADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001571249190 953301083 /nfs/dbraw/zinc/30/10/83/953301083.db2.gz FOERLOZRFJZMSI-ZBFHGGJFSA-N 1 0 384.488 1.077 20 0 GDADRO O=C(CCC1CC1)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571249217 953302648 /nfs/dbraw/zinc/30/26/48/953302648.db2.gz GBTUNDIHZBCDPZ-GOSISDBHSA-N 1 0 384.484 1.764 20 0 GDADRO O=C(CC[C@H]1CCOC1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571250648 953312016 /nfs/dbraw/zinc/31/20/16/953312016.db2.gz ROOUVHMRJBFMAB-RDJZCZTQSA-N 1 0 384.484 1.764 20 0 GDADRO Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571251204 953315121 /nfs/dbraw/zinc/31/51/21/953315121.db2.gz SIKPLBLIWWQQJR-UHFFFAOYSA-N 1 0 384.444 1.442 20 0 GDADRO O=C(CC[C@@H]1CCCO1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571251390 953316519 /nfs/dbraw/zinc/31/65/19/953316519.db2.gz WXOOVEDKPOHKSR-IRXDYDNUSA-N 1 0 384.484 1.907 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](C)C2)c(C)o1 ZINC001571251731 953319407 /nfs/dbraw/zinc/31/94/07/953319407.db2.gz VUKAFAFTJKLDMY-IINYFYTJSA-N 1 0 384.444 1.583 20 0 GDADRO C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](Nc3ncccc3-c3nn[nH]n3)CC2)CC1 ZINC001571252064 953323396 /nfs/dbraw/zinc/32/33/96/953323396.db2.gz GJDOQYFGZBNRAX-SHTZXODSSA-N 1 0 384.488 1.443 20 0 GDADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571252249 953324857 /nfs/dbraw/zinc/32/48/57/953324857.db2.gz IRSACSGSTONZTR-HOTGVXAUSA-N 1 0 384.488 1.221 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2CCCN2C(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001571252437 953329072 /nfs/dbraw/zinc/32/90/72/953329072.db2.gz MOUGVYJFMOTVJS-GDBMZVCRSA-N 1 0 384.488 1.457 20 0 GDADRO Cc1nc(N2CCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1-c1nn[nH]n1 ZINC001571252838 953333169 /nfs/dbraw/zinc/33/31/69/953333169.db2.gz WKKCEMUQYAJCQS-GOEBONIOSA-N 1 0 384.488 1.139 20 0 GDADRO Cc1nc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)co1 ZINC001571254390 953339088 /nfs/dbraw/zinc/33/90/88/953339088.db2.gz GEWNZPGOOCJELG-ZDUSSCGKSA-N 1 0 385.403 1.554 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2cocn2)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571254607 953339974 /nfs/dbraw/zinc/33/99/74/953339974.db2.gz HHFVIWMCJBNKQA-FZMZJTMJSA-N 1 0 385.403 1.777 20 0 GDADRO O=C(NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)c1cc(F)ccc1F ZINC001571254684 953341280 /nfs/dbraw/zinc/34/12/80/953341280.db2.gz GBFGZRLGRWVAMU-UHFFFAOYSA-N 1 0 385.378 1.939 20 0 GDADRO Cc1nc(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)co1 ZINC001571255650 953352625 /nfs/dbraw/zinc/35/26/25/953352625.db2.gz RILMUEOAFGJBFG-UHFFFAOYSA-N 1 0 385.403 1.695 20 0 GDADRO O=C(c1cc(F)ccc1F)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571256288 953368756 /nfs/dbraw/zinc/36/87/56/953368756.db2.gz UHPALCBTIGJUDI-GFCCVEGCSA-N 1 0 385.378 1.679 20 0 GDADRO C[N@@H+]1CCN(CC[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC1(C)C ZINC001593784366 954683116 /nfs/dbraw/zinc/68/31/16/954683116.db2.gz GZXYPNAEHBWSAJ-INIZCTEOSA-N 1 0 378.517 1.696 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C[C@H]1C[NH+](C)C ZINC001121845096 957221322 /nfs/dbraw/zinc/22/13/22/957221322.db2.gz WKHWKCQGCIDONA-OHDICMOHSA-N 1 0 388.512 1.680 20 0 GDADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001352216698 958123366 /nfs/dbraw/zinc/12/33/66/958123366.db2.gz RJQFNNCSMSYLAP-GOSISDBHSA-N 1 0 388.512 1.699 20 0 GDADRO CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001592268139 977520425 /nfs/dbraw/zinc/52/04/25/977520425.db2.gz KEBYOJVLOMZNQF-HNNXBMFYSA-N 1 0 377.485 1.927 20 0 GDADRO C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C)CC4)CC1 ZINC000910172778 981772110 /nfs/dbraw/zinc/77/21/10/981772110.db2.gz FMFTZENKSFYSQY-AWEZNQCLSA-N 1 0 384.480 1.777 20 0 GDADRO O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000911339124 982363090 /nfs/dbraw/zinc/36/30/90/982363090.db2.gz GCNUMTRKKUYXAM-UHFFFAOYSA-N 1 0 386.496 1.706 20 0 GDADRO C[C@@H]1CN(c2ncnc(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)c2C(=O)[O-])C[C@H](C)[NH+]1C ZINC001599931731 985328404 /nfs/dbraw/zinc/32/84/04/985328404.db2.gz KQEZBGKDWPDQMU-NMWPEEMBSA-N 1 0 376.505 1.232 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC001594515363 985872590 /nfs/dbraw/zinc/87/25/90/985872590.db2.gz HLCWKDJGSRKLFM-AEFFLSMTSA-N 1 0 376.501 1.350 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC001594515988 985892449 /nfs/dbraw/zinc/89/24/49/985892449.db2.gz MIPGCAAHMDRJTC-NVXWUHKLSA-N 1 0 377.489 1.265 20 0 GDADRO COc1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC001599649931 994481607 /nfs/dbraw/zinc/48/16/07/994481607.db2.gz JDSQAJWIGACWDK-BMGDILEWSA-N 1 0 375.469 1.401 20 0 GDADRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C(=O)[O-])C1 ZINC001598803287 996160008 /nfs/dbraw/zinc/16/00/08/996160008.db2.gz LCWGRVUPTIRWEG-HKUYNNGSSA-N 1 0 390.480 1.999 20 0 GDADRO CO[C@]1(C(=O)[O-])CC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001599076931 996893894 /nfs/dbraw/zinc/89/38/94/996893894.db2.gz TXOZFUGYZVDTIO-IIBYNOLFSA-N 1 0 389.496 1.331 20 0 GDADRO CN1CCN(c2ncc(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)cn2)CC1 ZINC000865772966 1126117035 /nfs/dbraw/zinc/11/70/35/1126117035.db2.gz XFPGVUGPKSEWHE-HXUWFJFHSA-N 1 0 389.931 1.965 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)cc1OC ZINC000873193035 1126120869 /nfs/dbraw/zinc/12/08/69/1126120869.db2.gz MJHBNNJFACDKGU-HXUWFJFHSA-N 1 0 375.469 1.817 20 0 GDADRO CCOC(=O)Cn1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c(-c2cnn(C)c2)n1 ZINC000898387918 1126126407 /nfs/dbraw/zinc/12/64/07/1126126407.db2.gz RRNJDABGHLTJDD-WIYYLYMNSA-N 1 0 395.463 1.595 20 0 GDADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(I)cc1 ZINC000159926594 530547432 /nfs/dbraw/zinc/54/74/32/530547432.db2.gz ISIKMDQCLGODQM-LBPRGKRZSA-N 1 0 380.251 1.649 20 0 GDADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Br)ccc1F ZINC000158926753 530537629 /nfs/dbraw/zinc/53/76/29/530537629.db2.gz YFBSDLOPBUPNJE-LBPRGKRZSA-N 1 0 395.294 1.713 20 0 GDADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCCC[NH+]1CCC(O)CC1 ZINC000158998777 530538138 /nfs/dbraw/zinc/53/81/38/530538138.db2.gz ZTHLWPNZSMJSRX-UHFFFAOYSA-N 1 0 380.432 1.972 20 0 GDADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158986485 530538615 /nfs/dbraw/zinc/53/86/15/530538615.db2.gz PSELVHGHBRIXOA-BMIGLBTASA-N 1 0 386.315 1.841 20 0 GDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000161597818 530562396 /nfs/dbraw/zinc/56/23/96/530562396.db2.gz ZGNPYBYXKFLPHM-CYBMUJFWSA-N 1 0 387.933 1.956 20 0 GDADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000161652839 530563111 /nfs/dbraw/zinc/56/31/11/530563111.db2.gz OWQBBAPVQJSNDB-AWEZNQCLSA-N 1 0 391.331 1.820 20 0 GDADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1F ZINC000161908109 530564289 /nfs/dbraw/zinc/56/42/89/530564289.db2.gz ZCMADBMIFQGKHN-UHFFFAOYSA-N 1 0 380.283 1.114 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000161971781 530565310 /nfs/dbraw/zinc/56/53/10/530565310.db2.gz LIEOXFCPQSDQKC-UHFFFAOYSA-N 1 0 380.283 1.114 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000162060887 530566035 /nfs/dbraw/zinc/56/60/35/530566035.db2.gz IAOLQXNEJHTLPS-UHFFFAOYSA-N 1 0 384.274 1.950 20 0 GDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000162256157 530567561 /nfs/dbraw/zinc/56/75/61/530567561.db2.gz BHJZFPZIVDEPSC-HNNXBMFYSA-N 1 0 385.555 1.394 20 0 GDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000162256009 530567623 /nfs/dbraw/zinc/56/76/23/530567623.db2.gz BHJZFPZIVDEPSC-OAHLLOKOSA-N 1 0 385.555 1.394 20 0 GDADRO Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000020064813 530569115 /nfs/dbraw/zinc/56/91/15/530569115.db2.gz IWSRTGALOZBJRC-UHFFFAOYSA-N 1 0 380.861 1.450 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000022913390 530573117 /nfs/dbraw/zinc/57/31/17/530573117.db2.gz VFGGALZFCBOUTL-UHFFFAOYSA-N 1 0 376.320 1.283 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1Br ZINC000163170449 530573444 /nfs/dbraw/zinc/57/34/44/530573444.db2.gz GWKCBZQITHHAQL-UHFFFAOYSA-N 1 0 385.306 1.568 20 0 GDADRO CCCN(C(=O)CNS(=O)(=O)c1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000163335668 530575055 /nfs/dbraw/zinc/57/50/55/530575055.db2.gz VGICCBVVJOGYNF-UHFFFAOYSA-N 1 0 379.935 1.670 20 0 GDADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000165645008 530581290 /nfs/dbraw/zinc/58/12/90/530581290.db2.gz KCEZTAMOJQMEGZ-LLVKDONJSA-N 1 0 379.276 1.196 20 0 GDADRO COC1(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000167455237 530584191 /nfs/dbraw/zinc/58/41/91/530584191.db2.gz RDLNAYLPHNOSTL-CQSZACIVSA-N 1 0 382.302 1.913 20 0 GDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000027741954 530589446 /nfs/dbraw/zinc/58/94/46/530589446.db2.gz UKSAPQNORTYXIX-KBPBESRZSA-N 1 0 387.933 1.997 20 0 GDADRO C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000170867788 530590244 /nfs/dbraw/zinc/59/02/44/530590244.db2.gz QODGATUJVQPWAV-PWSUYJOCSA-N 1 0 394.269 1.596 20 0 GDADRO CC(C)[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000171163028 530595092 /nfs/dbraw/zinc/59/50/92/530595092.db2.gz ANWUHQVNUBETLP-ZDUSSCGKSA-N 1 0 387.933 1.996 20 0 GDADRO CCn1cc(Br)cc1C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000171559986 530600123 /nfs/dbraw/zinc/60/01/23/530600123.db2.gz CKBGZBLAYIINSD-UHFFFAOYSA-N 1 0 399.333 1.897 20 0 GDADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000172207700 530610076 /nfs/dbraw/zinc/61/00/76/530610076.db2.gz QMODQYOUPYOMDM-LLVKDONJSA-N 1 0 394.278 1.863 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000172291591 530611666 /nfs/dbraw/zinc/61/16/66/530611666.db2.gz LKFJBRZFDMMGEM-GFCCVEGCSA-N 1 0 398.301 1.944 20 0 GDADRO CC[NH+](CC)[C@H](C)CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000041913947 530625371 /nfs/dbraw/zinc/62/53/71/530625371.db2.gz ZXOIBCISEVIZBE-LLVKDONJSA-N 1 0 381.951 1.869 20 0 GDADRO Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1Br ZINC000173203633 530626328 /nfs/dbraw/zinc/62/63/28/530626328.db2.gz WWRPVFJXBJAWEY-CYBMUJFWSA-N 1 0 390.347 1.672 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000043593976 530634940 /nfs/dbraw/zinc/63/49/40/530634940.db2.gz YCYUCKOFBSMBKB-CABCVRRESA-N 1 0 385.555 1.810 20 0 GDADRO CC1CC[NH+](CCCCNC(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000043473475 530635067 /nfs/dbraw/zinc/63/50/67/530635067.db2.gz VFOMKLLSJHSVNT-UHFFFAOYSA-N 1 0 388.559 1.707 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000173949843 530639669 /nfs/dbraw/zinc/63/96/69/530639669.db2.gz WCWUUIXQCDBDSN-INIZCTEOSA-N 1 0 388.555 1.584 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(CCNC(C)=O)s2)C1 ZINC000173923798 530640308 /nfs/dbraw/zinc/64/03/08/530640308.db2.gz FQOQCCKYRXNUNH-OAHLLOKOSA-N 1 0 387.571 1.779 20 0 GDADRO O=C1C[C@@H]([NH2+]Cc2ccc(Br)s2)CN1CCN1CCOCC1 ZINC000172697592 530617114 /nfs/dbraw/zinc/61/71/14/530617114.db2.gz UBIJWDIHLFSTPO-GFCCVEGCSA-N 1 0 388.331 1.533 20 0 GDADRO Cn1nc2c(cc1=O)C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000172791162 530617899 /nfs/dbraw/zinc/61/78/99/530617899.db2.gz RHILZOIVTYLEPJ-LBPRGKRZSA-N 1 0 384.263 1.885 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000051762495 530681490 /nfs/dbraw/zinc/68/14/90/530681490.db2.gz ZCCPXHAKQXAIEQ-CQSZACIVSA-N 1 0 390.311 1.439 20 0 GDADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccccc1I ZINC000176355852 530681489 /nfs/dbraw/zinc/68/14/89/530681489.db2.gz GNPAIZAZIDNWLA-SNVBAGLBSA-N 1 0 389.237 1.544 20 0 GDADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000051734891 530681571 /nfs/dbraw/zinc/68/15/71/530681571.db2.gz GLYZZDGGSMSSAH-OAHLLOKOSA-N 1 0 387.933 1.750 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000051763391 530681714 /nfs/dbraw/zinc/68/17/14/530681714.db2.gz JBQVKNPCWNEFBT-UHFFFAOYSA-N 1 0 397.317 1.484 20 0 GDADRO CN(CC[NH+](C)C)C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000176382875 530682566 /nfs/dbraw/zinc/68/25/66/530682566.db2.gz VVUQCDWWAHBABN-UHFFFAOYSA-N 1 0 387.552 1.922 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000174491338 530649872 /nfs/dbraw/zinc/64/98/72/530649872.db2.gz UZGJJBPTMFSYNJ-NSHDSACASA-N 1 0 379.935 1.480 20 0 GDADRO CN(CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)S(=O)(=O)c1ccc(Cl)cc1 ZINC000047226833 530656798 /nfs/dbraw/zinc/65/67/98/530656798.db2.gz XEMGSSVFTJUJDZ-JKSUJKDBSA-N 1 0 385.917 1.704 20 0 GDADRO Cc1cc(NC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)ccc1Br ZINC000175085469 530658375 /nfs/dbraw/zinc/65/83/75/530658375.db2.gz BFLYUWTVNSTZIY-UHFFFAOYSA-N 1 0 397.317 1.402 20 0 GDADRO CC1(C)CN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC[NH2+]1 ZINC000175435278 530665692 /nfs/dbraw/zinc/66/56/92/530665692.db2.gz ORCFNJPNDWUQTH-UHFFFAOYSA-N 1 0 386.265 1.919 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000175444381 530665885 /nfs/dbraw/zinc/66/58/85/530665885.db2.gz DIKLQMXJUJLNOI-UONOGXRCSA-N 1 0 387.933 1.997 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(I)c2)C1 ZINC000048758763 530670960 /nfs/dbraw/zinc/67/09/60/530670960.db2.gz VNDCOVXXXILFIJ-LBPRGKRZSA-N 1 0 387.221 1.440 20 0 GDADRO C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C(C)(C)C[NH+](C)C ZINC000175828987 530671178 /nfs/dbraw/zinc/67/11/78/530671178.db2.gz XQFAYGKSAVPGLO-SNVBAGLBSA-N 1 0 381.951 1.772 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049074578 530672199 /nfs/dbraw/zinc/67/21/99/530672199.db2.gz ZNYZRQVXOFYBPI-UHFFFAOYSA-N 1 0 382.302 1.945 20 0 GDADRO CC[NH+](CC)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000050119876 530675402 /nfs/dbraw/zinc/67/54/02/530675402.db2.gz KMCNXEDWGJWLED-UHFFFAOYSA-N 1 0 387.571 1.923 20 0 GDADRO CCS(=O)(=O)N(C)CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000176249394 530680057 /nfs/dbraw/zinc/68/00/57/530680057.db2.gz DPHVXGVIGKUMDN-UHFFFAOYSA-N 1 0 375.922 1.512 20 0 GDADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2ncc(I)n2c1 ZINC000176668463 530688392 /nfs/dbraw/zinc/68/83/92/530688392.db2.gz GJDXKGUGKBQLRA-NSHDSACASA-N 1 0 384.221 1.763 20 0 GDADRO C[N@H+](CCNC(=O)Cn1cc(Br)ccc1=O)Cc1ccccc1 ZINC000053349692 530692127 /nfs/dbraw/zinc/69/21/27/530692127.db2.gz RGVUKNAXIGPBQV-UHFFFAOYSA-N 1 0 378.270 1.859 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(I)c[nH]1 ZINC000176871157 530693261 /nfs/dbraw/zinc/69/32/61/530693261.db2.gz PPBJDEZLIYHYDG-NSHDSACASA-N 1 0 379.242 1.706 20 0 GDADRO Cc1cc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)sc1Br ZINC000176935197 530694797 /nfs/dbraw/zinc/69/47/97/530694797.db2.gz PWQPVALNMREOLM-NSHDSACASA-N 1 0 396.376 1.733 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000178434138 530721082 /nfs/dbraw/zinc/72/10/82/530721082.db2.gz PPCYVAWXSQEICE-AWEZNQCLSA-N 1 0 394.324 1.810 20 0 GDADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000177566275 530705666 /nfs/dbraw/zinc/70/56/66/530705666.db2.gz IDUJCHXBNANKQU-LBPRGKRZSA-N 1 0 397.317 1.448 20 0 GDADRO CCN(CCCNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)S(C)(=O)=O ZINC000056947605 530721643 /nfs/dbraw/zinc/72/16/43/530721643.db2.gz RPVYETUYWWUSSW-OWCLPIDISA-N 1 0 376.567 1.324 20 0 GDADRO CCS(=O)(=O)NCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000176467148 530684146 /nfs/dbraw/zinc/68/41/46/530684146.db2.gz BCGVMBLTJLOXON-HIFRSBDPSA-N 1 0 388.559 1.370 20 0 GDADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1COc2ccc(Br)cc21 ZINC000179371665 530739257 /nfs/dbraw/zinc/73/92/57/530739257.db2.gz FQAOAAOONHLCCB-DZGCQCFKSA-N 1 0 383.286 1.888 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000179520046 530743487 /nfs/dbraw/zinc/74/34/87/530743487.db2.gz VOPSGVMWMCHJMN-NSHDSACASA-N 1 0 383.290 1.939 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000062586954 530743882 /nfs/dbraw/zinc/74/38/82/530743882.db2.gz DQXVERDCJHGHOF-SNVBAGLBSA-N 1 0 377.413 1.078 20 0 GDADRO C[C@@H](CNC(=O)CN1C(=O)COc2cc(Br)ccc21)[N@H+](C)C1CC1 ZINC000057708644 530727383 /nfs/dbraw/zinc/72/73/83/530727383.db2.gz FNQRQKNNIVSAIB-NSHDSACASA-N 1 0 396.285 1.773 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)NC[C@H]3CCC[NH2+]3)CC2=O)ccc1Br ZINC000178757235 530727581 /nfs/dbraw/zinc/72/75/81/530727581.db2.gz VZRFUEDFPORSFJ-QWHCGFSZSA-N 1 0 380.286 1.979 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)NCC[C@@H](C)[NH3+])c(Br)c1 ZINC000178914816 530731027 /nfs/dbraw/zinc/73/10/27/530731027.db2.gz VNCCCEDRPKANSH-SECBINFHSA-N 1 0 379.276 1.641 20 0 GDADRO CCCN(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CC[NH2+]C1 ZINC000178910976 530731047 /nfs/dbraw/zinc/73/10/47/530731047.db2.gz AYSPOFGEWPDVAG-GFCCVEGCSA-N 1 0 394.269 1.646 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000179003174 530733246 /nfs/dbraw/zinc/73/32/46/530733246.db2.gz YZOWSEGFSMPWKP-AWEZNQCLSA-N 1 0 385.555 1.533 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000179869420 530751880 /nfs/dbraw/zinc/75/18/80/530751880.db2.gz JDGMPWXSJAHUAR-GFCCVEGCSA-N 1 0 398.301 1.909 20 0 GDADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000179951570 530753716 /nfs/dbraw/zinc/75/37/16/530753716.db2.gz KLLDZCUHPHTMMX-SECBINFHSA-N 1 0 386.948 1.377 20 0 GDADRO CC(C)[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)C(=O)N1CCOCC1 ZINC000180079844 530757039 /nfs/dbraw/zinc/75/70/39/530757039.db2.gz NBSUNAIKFBSSNP-INIZCTEOSA-N 1 0 387.933 1.833 20 0 GDADRO O=C(CNC(=O)c1ccc(Br)s1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066143307 530759537 /nfs/dbraw/zinc/75/95/37/530759537.db2.gz XUGXEELFRMLSDB-NSHDSACASA-N 1 0 386.315 1.937 20 0 GDADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000180218023 530760700 /nfs/dbraw/zinc/76/07/00/530760700.db2.gz QFQZYQLYJSVDFN-NSHDSACASA-N 1 0 394.273 1.909 20 0 GDADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000180222994 530760931 /nfs/dbraw/zinc/76/09/31/530760931.db2.gz GRPDLZOZQWSVKV-NSHDSACASA-N 1 0 394.273 1.909 20 0 GDADRO Cn1cc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cc(Br)c1=O ZINC000179730952 530748202 /nfs/dbraw/zinc/74/82/02/530748202.db2.gz ZYJOAKVMTFKANO-UHFFFAOYSA-N 1 0 399.289 1.077 20 0 GDADRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000180855908 530772822 /nfs/dbraw/zinc/77/28/22/530772822.db2.gz BGYPLHDJXGWSGB-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)c(=O)n(C)c1=O ZINC000067223614 530774547 /nfs/dbraw/zinc/77/45/47/530774547.db2.gz ITUZNKJSLBMCQI-CYBMUJFWSA-N 1 0 380.242 1.460 20 0 GDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2cccs2)cc1 ZINC000181041892 530776592 /nfs/dbraw/zinc/77/65/92/530776592.db2.gz COGXLBCIDASXTB-HIFRSBDPSA-N 1 0 384.523 1.885 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)CC(C)C ZINC000067622592 530777848 /nfs/dbraw/zinc/77/78/48/530777848.db2.gz ZDBGVZTXRDNEJK-HOTGVXAUSA-N 1 0 376.567 1.466 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000181446502 530783322 /nfs/dbraw/zinc/78/33/22/530783322.db2.gz VHGXYPMYAYSZKA-LLVKDONJSA-N 1 0 383.290 1.939 20 0 GDADRO C[C@H](CNC(=O)CCNS(=O)(=O)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000068103263 530783951 /nfs/dbraw/zinc/78/39/51/530783951.db2.gz DPFUCBRWRAIFFT-CQSZACIVSA-N 1 0 387.933 1.857 20 0 GDADRO CC[C@@H](C)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000068450602 530787881 /nfs/dbraw/zinc/78/78/81/530787881.db2.gz RHCHQKVKFZLNII-GFCCVEGCSA-N 1 0 393.962 1.965 20 0 GDADRO CN(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000068192389 530785565 /nfs/dbraw/zinc/78/55/65/530785565.db2.gz ITCNIDHJEJJNLP-UHFFFAOYSA-N 1 0 375.441 1.186 20 0 GDADRO Cc1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1Cl ZINC000180445591 530766720 /nfs/dbraw/zinc/76/67/20/530766720.db2.gz QQETYXWJIJRXCM-CQSZACIVSA-N 1 0 385.917 1.576 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)CS(=O)(=O)CC)cc1 ZINC000182635282 530802153 /nfs/dbraw/zinc/80/21/53/530802153.db2.gz CFHNALVCWXPIEF-AWEZNQCLSA-N 1 0 376.544 1.630 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(I)c1 ZINC000068644606 530789807 /nfs/dbraw/zinc/78/98/07/530789807.db2.gz HAUSIPVMNYPRDE-JTQLQIEISA-N 1 0 389.237 1.686 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCCS(=O)(=O)NCC1CCC1)c1cccs1 ZINC000069126157 530795549 /nfs/dbraw/zinc/79/55/49/530795549.db2.gz WMOFTVDRYLWHHG-CQSZACIVSA-N 1 0 388.559 1.370 20 0 GDADRO OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)CN1CCOCC1 ZINC000069250554 530796467 /nfs/dbraw/zinc/79/64/67/530796467.db2.gz ADBIOEAIAFDQMS-OAHLLOKOSA-N 1 0 377.312 1.871 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)COc1ccccc1Br ZINC000184406074 530828295 /nfs/dbraw/zinc/82/82/95/530828295.db2.gz QEIAOTWULOUTTQ-AWEZNQCLSA-N 1 0 384.318 1.970 20 0 GDADRO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000079995992 530808166 /nfs/dbraw/zinc/80/81/66/530808166.db2.gz NOKMIHGLNYKOLE-NVXWUHKLSA-N 1 0 375.579 1.825 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000183040761 530808862 /nfs/dbraw/zinc/80/88/62/530808862.db2.gz UWRDDNXBCNPODL-CYBMUJFWSA-N 1 0 394.584 1.488 20 0 GDADRO CN(CC[NH+](C)C)S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000092313194 530812465 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C[NH+]1CCC(NS(=O)(=O)c2cc3c(cc2Br)OCCO3)CC1 ZINC000114735597 530896137 /nfs/dbraw/zinc/89/61/37/530896137.db2.gz MQSBFHBCXUQJBM-UHFFFAOYSA-N 1 0 391.287 1.593 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000120004164 530934594 /nfs/dbraw/zinc/93/45/94/530934594.db2.gz KSTGXTBTLDYTBP-WMZOPIPTSA-N 1 0 384.567 1.646 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000190685277 530935578 /nfs/dbraw/zinc/93/55/78/530935578.db2.gz GTAKGHBOSSGDBE-LLVKDONJSA-N 1 0 378.491 1.161 20 0 GDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000120164799 530936922 /nfs/dbraw/zinc/93/69/22/530936922.db2.gz XNKWMWQOZAGDRQ-JTQLQIEISA-N 1 0 387.303 1.284 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000190786015 530937563 /nfs/dbraw/zinc/93/75/63/530937563.db2.gz LATSYYPXZDZITF-UHFFFAOYSA-N 1 0 387.274 1.193 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000120429349 530940399 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CC1(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000193385151 530985193 /nfs/dbraw/zinc/98/51/93/530985193.db2.gz MPYHQFDNLVATOQ-UHFFFAOYSA-N 1 0 389.315 1.622 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)N1CC[NH+](C)CC1 ZINC000122550366 530973234 /nfs/dbraw/zinc/97/32/34/530973234.db2.gz GBZPOPTVDLFDPR-GFCCVEGCSA-N 1 0 381.420 1.499 20 0 GDADRO CN(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CC[NH+](C)CC1 ZINC000192773551 530973754 /nfs/dbraw/zinc/97/37/54/530973754.db2.gz DMBZBXGUAPUHCC-UHFFFAOYSA-N 1 0 394.269 1.598 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000122559829 530973750 /nfs/dbraw/zinc/97/37/50/530973750.db2.gz LECNSAHHHROYQS-LBPRGKRZSA-N 1 0 376.320 1.363 20 0 GDADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000192915823 530975483 /nfs/dbraw/zinc/97/54/83/530975483.db2.gz HPGHDRLDXZCBRV-MELADBBJSA-N 1 0 388.917 1.936 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000122930905 530977525 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O=C1NC(=O)[C@@]2(CCC[N@@H+](CCOc3cc(F)cc(Br)c3)C2)N1 ZINC000192662189 530971702 /nfs/dbraw/zinc/97/17/02/530971702.db2.gz IKKNDGXTMJPCGG-HNNXBMFYSA-N 1 0 386.221 1.641 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000124326296 530994615 /nfs/dbraw/zinc/99/46/15/530994615.db2.gz PNZPZAFOCPWKAC-UHFFFAOYSA-N 1 0 380.286 1.892 20 0 GDADRO C[NH+]1CCN(CCNC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000193912551 530995692 /nfs/dbraw/zinc/99/56/92/530995692.db2.gz HUHWTIKDWLXLPN-UHFFFAOYSA-N 1 0 398.301 1.126 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000193384609 530985717 /nfs/dbraw/zinc/98/57/17/530985717.db2.gz ZFKAGFDZXNOMFZ-GFCCVEGCSA-N 1 0 383.290 1.973 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193410935 530985926 /nfs/dbraw/zinc/98/59/26/530985926.db2.gz HHEHTWNQJJELPT-BXKDBHETSA-N 1 0 375.288 1.660 20 0 GDADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000193482434 530988026 /nfs/dbraw/zinc/98/80/26/530988026.db2.gz 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Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261724910 531097399 /nfs/dbraw/zinc/09/73/99/531097399.db2.gz JOWAEZWLJRMKOQ-OCCSQVGLSA-N 1 0 384.274 1.709 20 0 GDADRO CCNC(=O)N1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261754603 531098013 /nfs/dbraw/zinc/09/80/13/531098013.db2.gz MXNMQWLPKYPEHX-MRXNPFEDSA-N 1 0 383.290 1.497 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261790834 531099161 /nfs/dbraw/zinc/09/91/61/531099161.db2.gz NOWVDZOFBARRQN-INIZCTEOSA-N 1 0 389.543 1.077 20 0 GDADRO Cc1cc(C)nc(SCC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000261792271 531099259 /nfs/dbraw/zinc/09/92/59/531099259.db2.gz IEZIDWBFORJJGZ-GFCCVEGCSA-N 1 0 377.436 1.138 20 0 GDADRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cccc(I)c2)C1 ZINC000261831799 531099806 /nfs/dbraw/zinc/09/98/06/531099806.db2.gz QBURAUMEZNGMFY-LBPRGKRZSA-N 1 0 380.251 1.651 20 0 GDADRO CCNC(=O)N1CC[C@@H](NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261877267 531101499 /nfs/dbraw/zinc/10/14/99/531101499.db2.gz YMYAKICKVBLHSN-CJNGLKHVSA-N 1 0 383.290 1.543 20 0 GDADRO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000261894576 531101922 /nfs/dbraw/zinc/10/19/22/531101922.db2.gz XJMGFKRVWBZWKP-AWEZNQCLSA-N 1 0 385.917 1.563 20 0 GDADRO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000261931607 531102743 /nfs/dbraw/zinc/10/27/43/531102743.db2.gz BKQUJFRUWOAFML-VXGBXAGGSA-N 1 0 391.946 1.609 20 0 GDADRO Nc1cc(Br)ccc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261943391 531103117 /nfs/dbraw/zinc/10/31/17/531103117.db2.gz XTTXDAWHYJSAAM-LBPRGKRZSA-N 1 0 395.223 1.597 20 0 GDADRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000261960598 531103399 /nfs/dbraw/zinc/10/33/99/531103399.db2.gz ADFAWSWMVCSNRM-SNVBAGLBSA-N 1 0 376.404 1.959 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247205164 531073121 /nfs/dbraw/zinc/07/31/21/531073121.db2.gz WOXDYRSSVLANCQ-HOCLYGCPSA-N 1 0 386.539 1.503 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000262098591 531107541 /nfs/dbraw/zinc/10/75/41/531107541.db2.gz UWNTYXSULLDCCF-CQSZACIVSA-N 1 0 379.404 1.181 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000262105178 531108106 /nfs/dbraw/zinc/10/81/06/531108106.db2.gz VGIPNYOCYXPLKP-WMLDXEAASA-N 1 0 380.286 1.999 20 0 GDADRO COCC[NH2+]CCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000262114623 531108185 /nfs/dbraw/zinc/10/81/85/531108185.db2.gz KWMSJVIONHAQED-UHFFFAOYSA-N 1 0 398.312 1.014 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1F ZINC000262119706 531108525 /nfs/dbraw/zinc/10/85/25/531108525.db2.gz JGIXLRCIZNAUQA-LLVKDONJSA-N 1 0 379.479 1.089 20 0 GDADRO CSCC[C@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000262116757 531108821 /nfs/dbraw/zinc/10/88/21/531108821.db2.gz FXYLARGJGXQRAC-INIZCTEOSA-N 1 0 385.555 1.558 20 0 GDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000262137464 531109242 /nfs/dbraw/zinc/10/92/42/531109242.db2.gz XLRXXFNYGCLJJF-KBPBESRZSA-N 1 0 389.543 1.075 20 0 GDADRO CSCC[C@@H]([NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000262204786 531112648 /nfs/dbraw/zinc/11/26/48/531112648.db2.gz JWYQWYAUPZDFAB-OAHLLOKOSA-N 1 0 389.518 1.129 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C(F)(F)F ZINC000262226706 531112993 /nfs/dbraw/zinc/11/29/93/531112993.db2.gz GIAPOLPWXFAFDS-CYBMUJFWSA-N 1 0 377.432 1.682 20 0 GDADRO CN(C)CCN(C(=O)c1c(Cl)nc2ccccn21)[C@H]1CCS(=O)(=O)C1 ZINC000136464161 531114991 /nfs/dbraw/zinc/11/49/91/531114991.db2.gz PKEFRJBEQGINJV-LBPRGKRZSA-N 1 0 384.889 1.179 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1occc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000136542940 531115495 /nfs/dbraw/zinc/11/54/95/531115495.db2.gz OUIIUTNRDPKUPD-LLVKDONJSA-N 1 0 393.303 1.623 20 0 GDADRO CCc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000262304871 531116128 /nfs/dbraw/zinc/11/61/28/531116128.db2.gz YCIAXXIUJJMRPV-DZGCQCFKSA-N 1 0 385.555 1.579 20 0 GDADRO [NH3+]CCc1nc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cs1 ZINC000262317768 531116213 /nfs/dbraw/zinc/11/62/13/531116213.db2.gz BQNVJLZZTSOUFM-UHFFFAOYSA-N 1 0 380.495 1.131 20 0 GDADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc(Cl)c2O1 ZINC000262336561 531117319 /nfs/dbraw/zinc/11/73/19/531117319.db2.gz SGEGGTYYENILTR-OCCSQVGLSA-N 1 0 385.917 1.332 20 0 GDADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262354527 531117772 /nfs/dbraw/zinc/11/77/72/531117772.db2.gz GSBPFTBEPMQENY-ZDUSSCGKSA-N 1 0 384.274 1.581 20 0 GDADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000263159029 531139851 /nfs/dbraw/zinc/13/98/51/531139851.db2.gz YKEOISOPVHGZPF-NWDGAFQWSA-N 1 0 389.568 1.213 20 0 GDADRO CSCC[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1nnc2ccccn21 ZINC000262405942 531119520 /nfs/dbraw/zinc/11/95/20/531119520.db2.gz RTTYSYMDHSVRQM-LLVKDONJSA-N 1 0 376.511 1.911 20 0 GDADRO CC(C)(C[NH3+])NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000262540180 531123930 /nfs/dbraw/zinc/12/39/30/531123930.db2.gz FLGCXQUTCTXBNY-UHFFFAOYSA-N 1 0 381.523 1.736 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2Br)C1 ZINC000262546530 531124023 /nfs/dbraw/zinc/12/40/23/531124023.db2.gz MFFHONXMLPBSCF-ZDUSSCGKSA-N 1 0 398.301 1.532 20 0 GDADRO O=C(C[NH2+]CC1CC1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000262607084 531125115 /nfs/dbraw/zinc/12/51/15/531125115.db2.gz GYRUBYPMMOMCHV-UHFFFAOYSA-N 1 0 391.946 1.624 20 0 GDADRO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 ZINC000262697511 531127092 /nfs/dbraw/zinc/12/70/92/531127092.db2.gz FGLOQARBSWBOJQ-ZCFIWIBFSA-N 1 0 393.393 1.318 20 0 GDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000148573157 531127858 /nfs/dbraw/zinc/12/78/58/531127858.db2.gz QREPXGMNAKDEIK-UHFFFAOYSA-N 1 0 398.301 1.923 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000262745087 531128287 /nfs/dbraw/zinc/12/82/87/531128287.db2.gz DLLCKQPZMFDCHG-GWCFXTLKSA-N 1 0 379.404 1.255 20 0 GDADRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cccc(I)c2)[C@H]1C ZINC000262751667 531128825 /nfs/dbraw/zinc/12/88/25/531128825.db2.gz GMQLSDRCEOVNNE-ZJUUUORDSA-N 1 0 380.251 1.662 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000262764721 531129410 /nfs/dbraw/zinc/12/94/10/531129410.db2.gz KNWYBSVYQVMWQK-MFKMUULPSA-N 1 0 376.320 1.791 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000262791871 531130785 /nfs/dbraw/zinc/13/07/85/531130785.db2.gz NBIGOKKUQDVSTM-MBNYWOFBSA-N 1 0 380.286 1.916 20 0 GDADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC[NH2+]1 ZINC000262783273 531130881 /nfs/dbraw/zinc/13/08/81/531130881.db2.gz LSUKETVADSMTIP-JQWIXIFHSA-N 1 0 379.404 1.398 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(I)c1 ZINC000262797818 531131377 /nfs/dbraw/zinc/13/13/77/531131377.db2.gz UQMNTIYSSOBFIQ-SKDRFNHKSA-N 1 0 380.251 1.568 20 0 GDADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc3c2OCC3)CC[NH2+]1 ZINC000262805187 531131481 /nfs/dbraw/zinc/13/14/81/531131481.db2.gz WQLDBADCZCNJOY-JOYOIKCWSA-N 1 0 375.288 1.803 20 0 GDADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000150966471 531131509 /nfs/dbraw/zinc/13/15/09/531131509.db2.gz YGFFVCFYEWUYHG-UHFFFAOYSA-N 1 0 391.299 1.865 20 0 GDADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(I)c1 ZINC000262797814 531131557 /nfs/dbraw/zinc/13/15/57/531131557.db2.gz UQMNTIYSSOBFIQ-CABZTGNLSA-N 1 0 380.251 1.568 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000262854483 531132348 /nfs/dbraw/zinc/13/23/48/531132348.db2.gz SRZDPFNEQSPALZ-MFKMUULPSA-N 1 0 394.324 1.776 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)CC[NH2+]1 ZINC000262956477 531135607 /nfs/dbraw/zinc/13/56/07/531135607.db2.gz WALNUCALXUNTKI-IUCAKERBSA-N 1 0 396.332 1.046 20 0 GDADRO CC(C)(O)C[NH+]1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000151353295 531136500 /nfs/dbraw/zinc/13/65/00/531136500.db2.gz SYBOMSXVRIIYHQ-UHFFFAOYSA-N 1 0 390.315 1.898 20 0 GDADRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)C2CCS(=O)(=O)CC2)c1 ZINC000263675008 531148725 /nfs/dbraw/zinc/14/87/25/531148725.db2.gz HKBSBPZMMUJORV-UHFFFAOYSA-N 1 0 388.555 1.525 20 0 GDADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000263742893 531152780 /nfs/dbraw/zinc/15/27/80/531152780.db2.gz GYHOEOGZETZAQZ-LLVKDONJSA-N 1 0 382.313 1.877 20 0 GDADRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000152525286 531152869 /nfs/dbraw/zinc/15/28/69/531152869.db2.gz WABYLLIXJUVQDY-PXAZEXFGSA-N 1 0 398.301 1.231 20 0 GDADRO COCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000263791491 531154775 /nfs/dbraw/zinc/15/47/75/531154775.db2.gz QTEHHJPSGRZXEM-CYBMUJFWSA-N 1 0 398.301 1.496 20 0 GDADRO C[C@@H](CNC(=O)COc1ccc(F)cc1Br)N1CC[NH+](C)CC1 ZINC000263796427 531155412 /nfs/dbraw/zinc/15/54/12/531155412.db2.gz RSCWCLRVBMEVIB-LBPRGKRZSA-N 1 0 388.281 1.719 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000263815174 531156124 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/nfs/dbraw/zinc/46/23/72/531462372.db2.gz HSFJRFFHCDEUME-UHFFFAOYSA-N 1 0 387.889 1.514 20 0 GDADRO COc1c(Br)cc(Br)cc1CN(CC[NH3+])CCO ZINC000414922413 531464756 /nfs/dbraw/zinc/46/47/56/531464756.db2.gz GBJVCJPEEPSYOV-UHFFFAOYSA-N 1 0 382.096 1.973 20 0 GDADRO COc1cc(Br)c(NC(=O)NCCN2CC[NH2+]CC2)cc1OC ZINC000415001060 531465442 /nfs/dbraw/zinc/46/54/42/531465442.db2.gz UNBDFZLDTKGVMD-UHFFFAOYSA-N 1 0 387.278 1.493 20 0 GDADRO COC(=O)Cn1cc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000449119952 531466315 /nfs/dbraw/zinc/46/63/15/531466315.db2.gz BGCXLJDIQQUQCS-ZDUSSCGKSA-N 1 0 394.273 1.582 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)CC2)C1 ZINC000363246486 531477554 /nfs/dbraw/zinc/47/75/54/531477554.db2.gz XJXKJKKXQSFZPN-GFCCVEGCSA-N 1 0 393.340 1.789 20 0 GDADRO C[C@H](C[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449224211 531467526 /nfs/dbraw/zinc/46/75/26/531467526.db2.gz PZEQISJQGDSZDO-KMFMINBZSA-N 1 0 388.555 1.501 20 0 GDADRO O=S(=O)(Cc1ccon1)NCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449172378 531467801 /nfs/dbraw/zinc/46/78/01/531467801.db2.gz CMMZQUQXGPTYOL-UHFFFAOYSA-N 1 0 392.250 1.785 20 0 GDADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@H](O)COC ZINC000449201389 531467910 /nfs/dbraw/zinc/46/79/10/531467910.db2.gz DNALBXVNVUSPLR-FZMZJTMJSA-N 1 0 389.290 1.449 20 0 GDADRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449254100 531468322 /nfs/dbraw/zinc/46/83/22/531468322.db2.gz WTIKTRDOTVXVPG-XOKHGSTOSA-N 1 0 388.555 1.644 20 0 GDADRO CCCC[N@H+](CCO)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000268041419 531469088 /nfs/dbraw/zinc/46/90/88/531469088.db2.gz KQSQVYVHDCEBGF-UHFFFAOYSA-N 1 0 391.921 1.623 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415349870 531477682 /nfs/dbraw/zinc/47/76/82/531477682.db2.gz DWNOBPGCSNMOQI-ZDUSSCGKSA-N 1 0 392.257 1.192 20 0 GDADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000449374595 531470020 /nfs/dbraw/zinc/47/00/20/531470020.db2.gz FTHHZBAOXHENNY-QWHCGFSZSA-N 1 0 377.304 1.556 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1Cl ZINC000415274851 531470138 /nfs/dbraw/zinc/47/01/38/531470138.db2.gz UUWCZMSYPBVDNG-JTQLQIEISA-N 1 0 390.267 1.907 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415351539 531477833 /nfs/dbraw/zinc/47/78/33/531477833.db2.gz JNVJGQVTUBNGKA-WDEREUQCSA-N 1 0 384.274 1.901 20 0 GDADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000449701887 531472681 /nfs/dbraw/zinc/47/26/81/531472681.db2.gz XRYFCMRVCVFEBP-AWEZNQCLSA-N 1 0 396.285 1.679 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449707352 531472707 /nfs/dbraw/zinc/47/27/07/531472707.db2.gz DDMSZLLZEHSUFO-FMKPAKJESA-N 1 0 385.555 1.330 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415299915 531472959 /nfs/dbraw/zinc/47/29/59/531472959.db2.gz ITUUCCCFCGIKIL-UHFFFAOYSA-N 1 0 381.889 1.938 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)CS(=O)(=O)N(C)C)c1ccccc1Cl ZINC000543264712 531478618 /nfs/dbraw/zinc/47/86/18/531478618.db2.gz DPKMDGSEGGJTQL-OAHLLOKOSA-N 1 0 375.922 1.731 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000543249322 531478962 /nfs/dbraw/zinc/47/89/62/531478962.db2.gz PEXLUVGLFFHJQB-HNNXBMFYSA-N 1 0 375.535 1.360 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000415359888 531478978 /nfs/dbraw/zinc/47/89/78/531478978.db2.gz LFTLCSWLFALMAD-NSHDSACASA-N 1 0 398.257 1.385 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415360400 531478999 /nfs/dbraw/zinc/47/89/99/531478999.db2.gz MADXFUPJXSWSAZ-VIFPVBQESA-N 1 0 375.210 1.392 20 0 GDADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415359648 531479236 /nfs/dbraw/zinc/47/92/36/531479236.db2.gz YTBISWSWGOHIOH-LBPRGKRZSA-N 1 0 399.289 1.651 20 0 GDADRO CC[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187037 531479847 /nfs/dbraw/zinc/47/98/47/531479847.db2.gz ANWGYOKNKRWCSY-FMKPAKJESA-N 1 0 390.933 1.934 20 0 GDADRO Cc1cc(F)c(NC(=O)C(=O)NCC[C@@H](C)[NH3+])c(I)c1 ZINC000415376377 531480461 /nfs/dbraw/zinc/48/04/61/531480461.db2.gz MOTWPFRUOFJLKX-MRVPVSSYSA-N 1 0 393.200 1.531 20 0 GDADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2C(=O)OC)C1 ZINC000415379259 531480581 /nfs/dbraw/zinc/48/05/81/531480581.db2.gz QYSWFGQXHCOKER-NSHDSACASA-N 1 0 398.257 1.385 20 0 GDADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@@H](C)CCSC ZINC000268310056 531493284 /nfs/dbraw/zinc/49/32/84/531493284.db2.gz JSKROTNUBUQFRQ-NSHDSACASA-N 1 0 375.516 1.355 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cccc(I)c1 ZINC000415389055 531481588 /nfs/dbraw/zinc/48/15/88/531481588.db2.gz FUHUCRLWPNPQBY-JTQLQIEISA-N 1 0 387.221 1.346 20 0 GDADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415383944 531481721 /nfs/dbraw/zinc/48/17/21/531481721.db2.gz SFDQRXRXTDKKIX-UHFFFAOYSA-N 1 0 397.163 1.361 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000415384446 531481768 /nfs/dbraw/zinc/48/17/68/531481768.db2.gz YUSUHTYTMOQLRP-LBPRGKRZSA-N 1 0 384.274 1.997 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)ccc1Br ZINC000415392773 531482202 /nfs/dbraw/zinc/48/22/02/531482202.db2.gz YJQNREAAYXSGCC-JTQLQIEISA-N 1 0 384.274 1.982 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415404683 531483480 /nfs/dbraw/zinc/48/34/80/531483480.db2.gz BIORDWCFDBERSA-VIFPVBQESA-N 1 0 375.210 1.201 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415550489 531493385 /nfs/dbraw/zinc/49/33/85/531493385.db2.gz CLDRXKZJCILWCT-MNOVXSKESA-N 1 0 384.274 1.995 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415416941 531484064 /nfs/dbraw/zinc/48/40/64/531484064.db2.gz LSRCBRMGTCHEJP-LLVKDONJSA-N 1 0 394.273 1.438 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1Br ZINC000415415905 531484136 /nfs/dbraw/zinc/48/41/36/531484136.db2.gz MKAZQLHWYMFNPC-VIFPVBQESA-N 1 0 388.262 1.377 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000268227807 531486485 /nfs/dbraw/zinc/48/64/85/531486485.db2.gz RSCRLIMHDAATAL-LLVKDONJSA-N 1 0 378.416 1.685 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc1OC ZINC000415447485 531487152 /nfs/dbraw/zinc/48/71/52/531487152.db2.gz HOEQXXDYQQUPJK-JTQLQIEISA-N 1 0 388.262 1.504 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000415454152 531487921 /nfs/dbraw/zinc/48/79/21/531487921.db2.gz ZWRCMCXMKOETDP-GHMZBOCLSA-N 1 0 384.274 1.982 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415468746 531488540 /nfs/dbraw/zinc/48/85/40/531488540.db2.gz WVANFWJNHOZURM-SNVBAGLBSA-N 1 0 393.200 1.468 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000545154151 531488742 /nfs/dbraw/zinc/48/87/42/531488742.db2.gz IHQXVENXZPSFQC-SJKOYZFVSA-N 1 0 386.279 1.529 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000545154149 531488792 /nfs/dbraw/zinc/48/87/92/531488792.db2.gz IHQXVENXZPSFQC-PXAZEXFGSA-N 1 0 386.279 1.529 20 0 GDADRO CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415466834 531488793 /nfs/dbraw/zinc/48/87/93/531488793.db2.gz SOFCZQHQVJHHHR-UHFFFAOYSA-N 1 0 376.226 1.779 20 0 GDADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(I)cn1 ZINC000415474161 531489597 /nfs/dbraw/zinc/48/95/97/531489597.db2.gz JUZMGDROBWNMJI-UHFFFAOYSA-N 1 0 390.225 1.258 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cs1 ZINC000363535230 531490158 /nfs/dbraw/zinc/49/01/58/531490158.db2.gz QIZZCDWPEISYQI-KWCYVHTRSA-N 1 0 388.511 1.407 20 0 GDADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC[NH2+]CCOC ZINC000415544730 531492324 /nfs/dbraw/zinc/49/23/24/531492324.db2.gz HOYUFLPLJUKESP-UHFFFAOYSA-N 1 0 388.262 1.139 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415542518 531492552 /nfs/dbraw/zinc/49/25/52/531492552.db2.gz AWHFDZZQRTZACM-UHFFFAOYSA-N 1 0 378.654 1.393 20 0 GDADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000415540088 531492952 /nfs/dbraw/zinc/49/29/52/531492952.db2.gz NPBSDVBGVILBDS-ZDUSSCGKSA-N 1 0 382.251 1.971 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1OC ZINC000415539781 531492990 /nfs/dbraw/zinc/49/29/90/531492990.db2.gz WOUWQXXWACVFJZ-SNVBAGLBSA-N 1 0 386.246 1.258 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415665490 531510712 /nfs/dbraw/zinc/51/07/12/531510712.db2.gz DKHJKUBLICVTNS-PRHODGIISA-N 1 0 388.251 1.975 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415664594 531510870 /nfs/dbraw/zinc/51/08/70/531510870.db2.gz UHMUCEZZHUYHOD-CMPLNLGQSA-N 1 0 384.274 1.819 20 0 GDADRO CNC(=O)c1cccc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)c1Br ZINC000658429860 531511214 /nfs/dbraw/zinc/51/12/14/531511214.db2.gz YKFPUJWKXCECRC-JTQLQIEISA-N 1 0 399.289 1.204 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415670394 531511944 /nfs/dbraw/zinc/51/19/44/531511944.db2.gz IMXPAPKXTAINJK-UWVGGRQHSA-N 1 0 392.257 1.588 20 0 GDADRO COc1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1OC ZINC000489854829 531512888 /nfs/dbraw/zinc/51/28/88/531512888.db2.gz GDUIDXVTHWZURH-AWEZNQCLSA-N 1 0 384.318 1.946 20 0 GDADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415719610 531519553 /nfs/dbraw/zinc/51/95/53/531519553.db2.gz CQJAKMLUDJLOMV-LBPRGKRZSA-N 1 0 399.264 1.033 20 0 GDADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000415685052 531513679 /nfs/dbraw/zinc/51/36/79/531513679.db2.gz UCCIAIZHEPHJHH-NWDGAFQWSA-N 1 0 398.305 1.930 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000658540661 531513974 /nfs/dbraw/zinc/51/39/74/531513974.db2.gz VXNHRZBEGODUFX-UHFFFAOYSA-N 1 0 376.201 1.686 20 0 GDADRO C[NH+]1CCN(c2cccc(C(=O)NCCn3cc(Br)cn3)n2)CC1 ZINC000557679215 531514128 /nfs/dbraw/zinc/51/41/28/531514128.db2.gz WVJIZHRNQXWYOP-UHFFFAOYSA-N 1 0 393.289 1.222 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000415682740 531514049 /nfs/dbraw/zinc/51/40/49/531514049.db2.gz BSXINUJHORUQFE-AWEZNQCLSA-N 1 0 376.201 1.863 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCC[C@@H]1C[NH2+]C ZINC000581825073 531516097 /nfs/dbraw/zinc/51/60/97/531516097.db2.gz YDKJYEPPLUDROG-OAHLLOKOSA-N 1 0 388.555 1.328 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000415704550 531517482 /nfs/dbraw/zinc/51/74/82/531517482.db2.gz GWXFNHBOJISHQQ-CQSZACIVSA-N 1 0 395.301 1.202 20 0 GDADRO COC[C@]1(CNC(=O)C(=O)Nc2ccc(C)cc2Br)CCC[NH2+]1 ZINC000415715311 531518130 /nfs/dbraw/zinc/51/81/30/531518130.db2.gz YPGHGQSGDHKVOS-MRXNPFEDSA-N 1 0 384.274 1.581 20 0 GDADRO COC[C@@]1(CNC(=O)C(=O)Nc2cc(Br)c(C)cc2C)CCC[NH2+]1 ZINC000415715325 531518456 /nfs/dbraw/zinc/51/84/56/531518456.db2.gz YRQCAWGQZOTNIT-KRWDZBQOSA-N 1 0 398.301 1.889 20 0 GDADRO Cc1cc(I)cc(NC(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000415717616 531518653 /nfs/dbraw/zinc/51/86/53/531518653.db2.gz YQWDDFWJVAOGBO-LBPRGKRZSA-N 1 0 375.210 1.791 20 0 GDADRO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415554093 531494662 /nfs/dbraw/zinc/49/46/62/531494662.db2.gz HBUMTDZRNFNAII-QWRGUYRKSA-N 1 0 384.274 1.913 20 0 GDADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000415566925 531495656 /nfs/dbraw/zinc/49/56/56/531495656.db2.gz WWGBTIIDACBVJW-JOYOIKCWSA-N 1 0 375.878 1.978 20 0 GDADRO COc1cc(I)ccc1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415560787 531495852 /nfs/dbraw/zinc/49/58/52/531495852.db2.gz VMWMJUJOQVUQGP-MRVPVSSYSA-N 1 0 391.209 1.092 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)[C@H](C)C[NH2+]1 ZINC000415571109 531496414 /nfs/dbraw/zinc/49/64/14/531496414.db2.gz SZNRCNNIWZCABX-HTQZYQBOSA-N 1 0 376.201 1.875 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415573981 531496812 /nfs/dbraw/zinc/49/68/12/531496812.db2.gz VZRIIYJDAANXDR-VHSXEESVSA-N 1 0 398.257 1.383 20 0 GDADRO O=C([C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000635557130 531497436 /nfs/dbraw/zinc/49/74/36/531497436.db2.gz ZVTUYTLHBZCKJP-KGLIPLIRSA-N 1 0 382.448 1.544 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415575799 531497569 /nfs/dbraw/zinc/49/75/69/531497569.db2.gz XKPJPECSCNEAAV-MNOVXSKESA-N 1 0 387.889 1.281 20 0 GDADRO O=C([C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000635589403 531498931 /nfs/dbraw/zinc/49/89/31/531498931.db2.gz GVJFOLXFJZQQAD-UONOGXRCSA-N 1 0 382.448 1.686 20 0 GDADRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415604766 531500759 /nfs/dbraw/zinc/50/07/59/531500759.db2.gz WCTKLMBOPYSFCO-ZCFIWIBFSA-N 1 0 381.601 1.347 20 0 GDADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)C2)CC1 ZINC000363695742 531500964 /nfs/dbraw/zinc/50/09/64/531500964.db2.gz ONKDQMPVPACMKP-ZDUSSCGKSA-N 1 0 380.436 1.798 20 0 GDADRO COc1nc(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)ncc1Br ZINC000635655491 531501185 /nfs/dbraw/zinc/50/11/85/531501185.db2.gz AEDVHGKWRLNGIQ-ZDUSSCGKSA-N 1 0 398.305 1.381 20 0 GDADRO COC(=O)C1(CS(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)CCCCC1 ZINC000489516777 531501391 /nfs/dbraw/zinc/50/13/91/531501391.db2.gz DHIXRCSHWRETLA-MRXNPFEDSA-N 1 0 378.560 1.467 20 0 GDADRO COC(=O)c1cccc(NC(=O)NCCN2CC[NH2+]CC2)c1Br ZINC000415608010 531502402 /nfs/dbraw/zinc/50/24/02/531502402.db2.gz LFHAJUJSBUAUPO-UHFFFAOYSA-N 1 0 385.262 1.262 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415605442 531502853 /nfs/dbraw/zinc/50/28/53/531502853.db2.gz CLJRVKHGMCBETI-SKDRFNHKSA-N 1 0 381.274 1.774 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000415608098 531503188 /nfs/dbraw/zinc/50/31/88/531503188.db2.gz FWUVHYYIIAEOLQ-CABZTGNLSA-N 1 0 392.257 1.445 20 0 GDADRO COC(=O)c1cccc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)c1Br ZINC000415618365 531504408 /nfs/dbraw/zinc/50/44/08/531504408.db2.gz WZIIUJLHNNAITF-JTQLQIEISA-N 1 0 385.262 1.261 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1nnc(SCc2ccccc2)s1 ZINC000556948175 531504681 /nfs/dbraw/zinc/50/46/81/531504681.db2.gz BPLWMCBMXIAOCI-CYBMUJFWSA-N 1 0 379.511 2.330 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000490048544 531519220 /nfs/dbraw/zinc/51/92/20/531519220.db2.gz UCMDSVINZQBOOB-JTQLQIEISA-N 1 0 382.404 1.968 20 0 GDADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000557011105 531507159 /nfs/dbraw/zinc/50/71/59/531507159.db2.gz BETADGXFSUBKFI-IUCAKERBSA-N 1 0 376.404 1.692 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC[NH2+]1 ZINC000415649975 531509242 /nfs/dbraw/zinc/50/92/42/531509242.db2.gz ASGAQYPHXFMASR-HTQZYQBOSA-N 1 0 376.201 1.923 20 0 GDADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)N(C)C[C@@H](O)C[NH3+] ZINC000415722778 531520443 /nfs/dbraw/zinc/52/04/43/531520443.db2.gz KZDLGZUMKDBPJM-QMMMGPOBSA-N 1 0 390.234 1.028 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O)c1ccsc1 ZINC000557764902 531520716 /nfs/dbraw/zinc/52/07/16/531520716.db2.gz GKTHNMIWCJXKFK-GJZGRUSLSA-N 1 0 388.559 1.464 20 0 GDADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415735890 531521756 /nfs/dbraw/zinc/52/17/56/531521756.db2.gz ZCPIDPZFSUHCLO-CABZTGNLSA-N 1 0 377.242 1.884 20 0 GDADRO O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415734364 531522699 /nfs/dbraw/zinc/52/26/99/531522699.db2.gz KEQKVDBHOQHCGX-SNVBAGLBSA-N 1 0 376.404 1.949 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415796691 531532545 /nfs/dbraw/zinc/53/25/45/531532545.db2.gz XQGHCDBTOVGDKS-RNFRBKRXSA-N 1 0 379.173 1.221 20 0 GDADRO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415750690 531523134 /nfs/dbraw/zinc/52/31/34/531523134.db2.gz UPZGKSNDLIBCMG-RYUDHWBXSA-N 1 0 396.285 1.773 20 0 GDADRO CC[NH+]1CCC(NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000280667976 531523434 /nfs/dbraw/zinc/52/34/34/531523434.db2.gz CEXCEFWNHQLYIF-CQSZACIVSA-N 1 0 383.290 1.759 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000415743597 531524207 /nfs/dbraw/zinc/52/42/07/531524207.db2.gz KJWPLVKDSJGKTI-QWRGUYRKSA-N 1 0 382.258 1.464 20 0 GDADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(F)cc1I ZINC000415763378 531527130 /nfs/dbraw/zinc/52/71/30/531527130.db2.gz RDCQRONWOAZFPZ-MRVPVSSYSA-N 1 0 393.200 1.612 20 0 GDADRO COc1cc(Br)cc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000415771959 531527200 /nfs/dbraw/zinc/52/72/00/531527200.db2.gz SHGUTPWESBAGFE-UHFFFAOYSA-N 1 0 396.285 1.998 20 0 GDADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)ccc1I ZINC000415775758 531528817 /nfs/dbraw/zinc/52/88/17/531528817.db2.gz AMKRWPIRLZLJOL-QMMMGPOBSA-N 1 0 395.628 1.737 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000658777926 531530007 /nfs/dbraw/zinc/53/00/07/531530007.db2.gz JQUUHWKSLGRPIV-GFCCVEGCSA-N 1 0 387.889 1.283 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000415785370 531530285 /nfs/dbraw/zinc/53/02/85/531530285.db2.gz KOQWKFFFRSYSJH-ZCFIWIBFSA-N 1 0 397.163 1.361 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC(=O)N(C)C ZINC000295180627 531532383 /nfs/dbraw/zinc/53/23/83/531532383.db2.gz MQIVGBYREXQUEG-LLVKDONJSA-N 1 0 386.290 1.530 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C1 ZINC000415829218 531537328 /nfs/dbraw/zinc/53/73/28/531537328.db2.gz GVMLDKLCQKXEFJ-SKDRFNHKSA-N 1 0 384.249 1.721 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000415836407 531539929 /nfs/dbraw/zinc/53/99/29/531539929.db2.gz PSSDOIWZNJNMKS-SECBINFHSA-N 1 0 392.200 1.161 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1OC ZINC000659099554 531540078 /nfs/dbraw/zinc/54/00/78/531540078.db2.gz GTEUHIGLCXCPCH-UHFFFAOYSA-N 1 0 398.257 1.355 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000364159548 531540319 /nfs/dbraw/zinc/54/03/19/531540319.db2.gz HCMDTTRDBJPHAJ-HOCLYGCPSA-N 1 0 385.555 1.345 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000659085395 531540450 /nfs/dbraw/zinc/54/04/50/531540450.db2.gz WZRHSCLPTUQKJI-AWEZNQCLSA-N 1 0 376.201 1.863 20 0 GDADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000295207912 531540954 /nfs/dbraw/zinc/54/09/54/531540954.db2.gz WFPQMLITNZIGOC-UHFFFAOYSA-N 1 0 381.420 1.240 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000364159550 531541032 /nfs/dbraw/zinc/54/10/32/531541032.db2.gz HCMDTTRDBJPHAJ-ZBFHGGJFSA-N 1 0 385.555 1.345 20 0 GDADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C[C@@H](C)C1 ZINC000558022810 531541197 /nfs/dbraw/zinc/54/11/97/531541197.db2.gz CJWHGFWRGUBFHV-YNEHKIRRSA-N 1 0 398.301 1.961 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CC[C@H]1F ZINC000659108966 531541565 /nfs/dbraw/zinc/54/15/65/531541565.db2.gz VFZHLAVSEWMAIK-VXNVDRBHSA-N 1 0 380.164 1.564 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)C[C@@H]1[NH3+] ZINC000415844941 531541949 /nfs/dbraw/zinc/54/19/49/531541949.db2.gz RCQYZLQDFQYHID-RNCFNFMXSA-N 1 0 382.251 1.923 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000659104935 531542476 /nfs/dbraw/zinc/54/24/76/531542476.db2.gz UVGVRSBAGXDEPC-UHFFFAOYSA-N 1 0 378.270 1.745 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(I)cc2)C1 ZINC000415848114 531542539 /nfs/dbraw/zinc/54/25/39/531542539.db2.gz XPXHOLAZBBPOJL-BXKDBHETSA-N 1 0 387.221 1.473 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC[C@H]1F ZINC000659107790 531542763 /nfs/dbraw/zinc/54/27/63/531542763.db2.gz AOWRCEWVNUUKHD-GMSGAONNSA-N 1 0 380.164 1.564 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000280806383 531542871 /nfs/dbraw/zinc/54/28/71/531542871.db2.gz GRSVHNZGPIPWAH-NSHDSACASA-N 1 0 380.290 1.691 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415853869 531543662 /nfs/dbraw/zinc/54/36/62/531543662.db2.gz MHRNUMZKPCPHKN-GFCCVEGCSA-N 1 0 378.782 1.317 20 0 GDADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CCCO1 ZINC000415858719 531544050 /nfs/dbraw/zinc/54/40/50/531544050.db2.gz KFAHQUFBBYSTSS-VIFPVBQESA-N 1 0 390.665 1.617 20 0 GDADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1Cl ZINC000415858277 531544321 /nfs/dbraw/zinc/54/43/21/531544321.db2.gz SQYYUHKORWXYJW-NSHDSACASA-N 1 0 389.283 1.350 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415861655 531544739 /nfs/dbraw/zinc/54/47/39/531544739.db2.gz JCKABCWWVRTQIL-LLVKDONJSA-N 1 0 380.857 1.507 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc(C)c1Br ZINC000415857582 531544883 /nfs/dbraw/zinc/54/48/83/531544883.db2.gz HYHAUWGRJJSUGA-ZDUSSCGKSA-N 1 0 384.274 1.581 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CCCO1 ZINC000415858278 531544985 /nfs/dbraw/zinc/54/49/85/531544985.db2.gz JIBKGPCYGYEQRP-SNVBAGLBSA-N 1 0 390.665 1.617 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CCCO1 ZINC000415856890 531545129 /nfs/dbraw/zinc/54/51/29/531545129.db2.gz GGYWVFOEJDBFOO-SNVBAGLBSA-N 1 0 390.665 1.617 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415858817 531545176 /nfs/dbraw/zinc/54/51/76/531545176.db2.gz FJFMDZMTUZUZNH-LLVKDONJSA-N 1 0 376.638 1.146 20 0 GDADRO CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Br ZINC000415865859 531546045 /nfs/dbraw/zinc/54/60/45/531546045.db2.gz JBYNWMNJBFCSGH-NWDGAFQWSA-N 1 0 396.285 1.854 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1Br ZINC000415869630 531546250 /nfs/dbraw/zinc/54/62/50/531546250.db2.gz NPEUPGFWMPDCJX-CQSZACIVSA-N 1 0 397.317 1.708 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000582295704 531546975 /nfs/dbraw/zinc/54/69/75/531546975.db2.gz UHFPLHKZQSFVRZ-CABCVRRESA-N 1 0 396.285 1.158 20 0 GDADRO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415870589 531547558 /nfs/dbraw/zinc/54/75/58/531547558.db2.gz PDBUNJQKAPZMAL-QMMMGPOBSA-N 1 0 376.201 1.924 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659484662 531547692 /nfs/dbraw/zinc/54/76/92/531547692.db2.gz YQOVUHIAWGUDQT-UHFFFAOYSA-N 1 0 396.245 1.411 20 0 GDADRO COc1cc(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)ccc1Br ZINC000415876488 531548579 /nfs/dbraw/zinc/54/85/79/531548579.db2.gz HUDVCIKUBNHNDI-UHFFFAOYSA-N 1 0 382.258 1.822 20 0 GDADRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCc2cc(Br)cc(F)c21 ZINC000582594312 531549505 /nfs/dbraw/zinc/54/95/05/531549505.db2.gz JNKQYMUTGLXBGR-SMDDNHRTSA-N 1 0 396.260 1.688 20 0 GDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415884686 531550151 /nfs/dbraw/zinc/55/01/51/531550151.db2.gz DMANSQWHMRMEGZ-VXGBXAGGSA-N 1 0 396.285 1.854 20 0 GDADRO CCC[NH+]1CCC(N(C)S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC000451111761 531551446 /nfs/dbraw/zinc/55/14/46/531551446.db2.gz UPVSJYIYULRHKY-UHFFFAOYSA-N 1 0 388.555 1.726 20 0 GDADRO [NH3+]CC[C@@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1)C(F)(F)F ZINC000415995979 531552863 /nfs/dbraw/zinc/55/28/63/531552863.db2.gz OBNVPLYZRLZVRJ-SNVBAGLBSA-N 1 0 397.195 1.967 20 0 GDADRO COCCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1Cl ZINC000415797205 531533279 /nfs/dbraw/zinc/53/32/79/531533279.db2.gz YJNOLEWAHPXIAY-BDAKNGLRSA-N 1 0 378.256 1.809 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000582064172 531533592 /nfs/dbraw/zinc/53/35/92/531533592.db2.gz XEIBKCZANYZNAO-WDEREUQCSA-N 1 0 394.324 1.905 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415805969 531534566 /nfs/dbraw/zinc/53/45/66/531534566.db2.gz LDVNRAPRQGBUPN-MNOVXSKESA-N 1 0 394.273 1.484 20 0 GDADRO C[N@H+](CCCNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C1CCCCC1 ZINC000451025241 531534742 /nfs/dbraw/zinc/53/47/42/531534742.db2.gz BMAFKCYVZXRXHT-OAHLLOKOSA-N 1 0 380.576 1.385 20 0 GDADRO COC(=O)CN(C)C(=O)CC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000558250254 531555291 /nfs/dbraw/zinc/55/52/91/531555291.db2.gz ZESRVEDBVFIELK-UHFFFAOYSA-N 1 0 387.278 1.304 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000659692945 531555615 /nfs/dbraw/zinc/55/56/15/531555615.db2.gz BSLFNEQFCQASJQ-NSHDSACASA-N 1 0 386.315 1.908 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(I)cc1F ZINC000295313423 531559422 /nfs/dbraw/zinc/55/94/22/531559422.db2.gz KVDLHLDUTBDGRT-CYBMUJFWSA-N 1 0 380.201 1.473 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000659742510 531559728 /nfs/dbraw/zinc/55/97/28/531559728.db2.gz SOBHXUMROSDMTA-KVIBHRHWSA-N 1 0 392.297 1.981 20 0 GDADRO CC[NH2+]CCCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000582965095 531560040 /nfs/dbraw/zinc/56/00/40/531560040.db2.gz KPWGXNVBICCPMN-UHFFFAOYSA-N 1 0 382.313 1.778 20 0 GDADRO C[C@]1(NC(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[NH2+]C1 ZINC000612874867 531560616 /nfs/dbraw/zinc/56/06/16/531560616.db2.gz HEERRNNZLCMQLS-INIZCTEOSA-N 1 0 383.290 1.620 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000659757216 531561543 /nfs/dbraw/zinc/56/15/43/531561543.db2.gz VUIQRKFNUQIZNK-YMTOWFKASA-N 1 0 392.258 1.757 20 0 GDADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCNS(C)(=O)=O ZINC000268766236 531568050 /nfs/dbraw/zinc/56/80/50/531568050.db2.gz QBXQPQKFUPBGOA-CYBMUJFWSA-N 1 0 375.922 1.606 20 0 GDADRO C[NH+](C)[C@H](CC(=O)NCCNS(=O)(=O)c1cccs1)c1ccccc1 ZINC000416176895 531565824 /nfs/dbraw/zinc/56/58/24/531565824.db2.gz HDDWKALNBQXCKD-OAHLLOKOSA-N 1 0 381.523 1.836 20 0 GDADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000659894111 531565788 /nfs/dbraw/zinc/56/57/88/531565788.db2.gz JFFQLZBFPSNHNX-GOSISDBHSA-N 1 0 376.563 1.953 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000583142935 531566418 /nfs/dbraw/zinc/56/64/18/531566418.db2.gz OLCDCBMAEFVKLT-WFASDCNBSA-N 1 0 385.555 1.652 20 0 GDADRO C[C@H](CNC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000281021818 531567436 /nfs/dbraw/zinc/56/74/36/531567436.db2.gz XSMLVQALVHVLHW-YGRLFVJLSA-N 1 0 383.290 1.757 20 0 GDADRO C[C@H](CNC(=O)Cn1cnc2ccc(Br)cc2c1=O)C[NH+](C)C ZINC000552240357 531554719 /nfs/dbraw/zinc/55/47/19/531554719.db2.gz SHTCBYCVXXGSIY-LLVKDONJSA-N 1 0 381.274 1.473 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000613523566 531568430 /nfs/dbraw/zinc/56/84/30/531568430.db2.gz WERDRVSVOCTGEV-CYBMUJFWSA-N 1 0 385.155 1.802 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3ccc(Br)cc3)no2)C1 ZINC000613523723 531568539 /nfs/dbraw/zinc/56/85/39/531568539.db2.gz YNXSAQCNZBJXQH-MRXNPFEDSA-N 1 0 380.242 1.901 20 0 GDADRO Ic1cnc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000451231752 531571006 /nfs/dbraw/zinc/57/10/06/531571006.db2.gz WGJBDTKYGQXJQL-AOOOYVTPSA-N 1 0 379.267 1.701 20 0 GDADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@]2(OC(C)C)CCOC2)C1 ZINC000659931200 531573798 /nfs/dbraw/zinc/57/37/98/531573798.db2.gz MPYIAAXOHIEZAG-MSOLQXFVSA-N 1 0 376.563 1.858 20 0 GDADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000583371623 531574414 /nfs/dbraw/zinc/57/44/14/531574414.db2.gz IUJRAOOOCPERDE-HPEDKQMDSA-N 1 0 380.286 1.535 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000583430620 531575617 /nfs/dbraw/zinc/57/56/17/531575617.db2.gz SGSNNWWQJHZDSI-CHWSQXEVSA-N 1 0 388.921 1.319 20 0 GDADRO COC[C@H](C)OC[C@@H](O)C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000295424969 531576160 /nfs/dbraw/zinc/57/61/60/531576160.db2.gz VITQAJIQOPYEEO-XEZPLFJOSA-N 1 0 376.291 1.827 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000416357405 531578942 /nfs/dbraw/zinc/57/89/42/531578942.db2.gz DJERGJZMYNISEN-UHFFFAOYSA-N 1 0 375.922 1.874 20 0 GDADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)c2c(c1)OCCO2 ZINC000295440448 531579649 /nfs/dbraw/zinc/57/96/49/531579649.db2.gz LHQLAOHQHHGMGK-CYBMUJFWSA-N 1 0 399.285 1.797 20 0 GDADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)C1 ZINC000583505223 531581008 /nfs/dbraw/zinc/58/10/08/531581008.db2.gz XFNUGEQJELXWJZ-LBPRGKRZSA-N 1 0 380.388 1.865 20 0 GDADRO Cc1ccc(CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Br ZINC000636869382 531582894 /nfs/dbraw/zinc/58/28/94/531582894.db2.gz CMMPZWBUOKCXFX-WBMJQRKESA-N 1 0 394.313 1.973 20 0 GDADRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000451295995 531584928 /nfs/dbraw/zinc/58/49/28/531584928.db2.gz FHTQAPZHEBEHRU-KRWDZBQOSA-N 1 0 394.603 1.489 20 0 GDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cnc1Br ZINC000364647193 531585137 /nfs/dbraw/zinc/58/51/37/531585137.db2.gz NYPOAEDVSAPWOX-STQMWFEESA-N 1 0 397.273 1.070 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000583639293 531586732 /nfs/dbraw/zinc/58/67/32/531586732.db2.gz CAXUTFDAIKJFCG-HRCADAONSA-N 1 0 389.587 1.038 20 0 GDADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)[C@@H](C)C[NH2+]1 ZINC000583631860 531587245 /nfs/dbraw/zinc/58/72/45/531587245.db2.gz FPORQGKGXGEYDD-MNOVXSKESA-N 1 0 379.404 1.193 20 0 GDADRO C[NH+](C)CCNC(=O)NCCOc1ccc(I)cc1 ZINC000558939450 531588102 /nfs/dbraw/zinc/58/81/02/531588102.db2.gz ZALHECFVSUXPKC-UHFFFAOYSA-N 1 0 377.226 1.531 20 0 GDADRO COc1ccc(Br)c(CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000583692408 531590346 /nfs/dbraw/zinc/59/03/46/531590346.db2.gz AEMFOFPPVJJGBQ-LBPRGKRZSA-N 1 0 398.301 1.314 20 0 GDADRO CC(C)Cc1ncc(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)s1 ZINC000364725888 531591143 /nfs/dbraw/zinc/59/11/43/531591143.db2.gz VRCMCHPKKHOONE-INIZCTEOSA-N 1 0 387.571 1.968 20 0 GDADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000637002923 531593760 /nfs/dbraw/zinc/59/37/60/531593760.db2.gz WLOWDGCZLJHUQK-WFASDCNBSA-N 1 0 395.301 1.774 20 0 GDADRO CN(C(=O)NCCN1CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000637039146 531596158 /nfs/dbraw/zinc/59/61/58/531596158.db2.gz GBIDSNBSYMQKIJ-HZPDHXFCSA-N 1 0 387.311 1.498 20 0 GDADRO COc1cc(C)c(Br)cc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614504808 531597420 /nfs/dbraw/zinc/59/74/20/531597420.db2.gz GBKARLXGCLBYNA-ZDUSSCGKSA-N 1 0 382.302 1.886 20 0 GDADRO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000416396892 531597787 /nfs/dbraw/zinc/59/77/87/531597787.db2.gz GAAPXSHNOJNDCC-ZDUSSCGKSA-N 1 0 387.933 1.970 20 0 GDADRO COc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc(Br)c1OC ZINC000614502479 531598670 /nfs/dbraw/zinc/59/86/70/531598670.db2.gz BACISJSXOJQGOH-CYBMUJFWSA-N 1 0 398.301 1.586 20 0 GDADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000660090569 531602913 /nfs/dbraw/zinc/60/29/13/531602913.db2.gz KCBYFFRGHMFVDR-GFCCVEGCSA-N 1 0 384.889 1.436 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000660089672 531603271 /nfs/dbraw/zinc/60/32/71/531603271.db2.gz CUSFWFGUMDKXLC-MRXNPFEDSA-N 1 0 388.917 1.706 20 0 GDADRO CSCC[C@@H]([NH3+])C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000269063379 531604566 /nfs/dbraw/zinc/60/45/66/531604566.db2.gz XQSSYOKWASEPEX-MRXNPFEDSA-N 1 0 385.555 1.284 20 0 GDADRO CN(CC(C)(C)O)C(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637118961 531604869 /nfs/dbraw/zinc/60/48/69/531604869.db2.gz PXRYWOJLHIPMIL-CQSZACIVSA-N 1 0 390.311 1.942 20 0 GDADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295628336 531605753 /nfs/dbraw/zinc/60/57/53/531605753.db2.gz ZEANCEOYNDEXMT-NSHDSACASA-N 1 0 382.814 1.827 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2ncc(Br)cn2n1 ZINC000637125040 531608052 /nfs/dbraw/zinc/60/80/52/531608052.db2.gz JLAKKCAHXVARBV-LBPRGKRZSA-N 1 0 395.305 1.248 20 0 GDADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000559867629 531611131 /nfs/dbraw/zinc/61/11/31/531611131.db2.gz PRWCOTGCCDZPMB-UHFFFAOYSA-N 1 0 388.299 1.469 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@@H]1O ZINC000615078339 531611568 /nfs/dbraw/zinc/61/15/68/531611568.db2.gz HBIBCXQIVMBDJX-HOTGVXAUSA-N 1 0 382.302 1.796 20 0 GDADRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000494641494 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1.747 20 0 GDADRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000269190330 531621916 /nfs/dbraw/zinc/62/19/16/531621916.db2.gz KSZNYXIJESVGID-UHFFFAOYSA-N 1 0 377.304 1.910 20 0 GDADRO C[C@H]1CN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC[C@@H]1[NH3+] ZINC000269204414 531623528 /nfs/dbraw/zinc/62/35/28/531623528.db2.gz LIVROFYSOFXHPE-HZMBPMFUSA-N 1 0 386.265 1.904 20 0 GDADRO O=C(c1n[nH]c2ccc(I)cc21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494891909 531623404 /nfs/dbraw/zinc/62/34/04/531623404.db2.gz RFYYJCAAQFNIPP-JOYOIKCWSA-N 1 0 396.232 1.992 20 0 GDADRO CC1(C)[NH2+]CC[C@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000584700793 531624740 /nfs/dbraw/zinc/62/47/40/531624740.db2.gz HWESWHSFQHFUJB-GFCCVEGCSA-N 1 0 380.242 1.302 20 0 GDADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000269202712 531623602 /nfs/dbraw/zinc/62/36/02/531623602.db2.gz XWOLWKHIKPOFMN-LBPRGKRZSA-N 1 0 375.878 1.346 20 0 GDADRO [NH3+]CC1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000269196571 531623979 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ZINC000269831733 531776173 /nfs/dbraw/zinc/77/61/73/531776173.db2.gz XLJOIMXKEOWHDO-UHFFFAOYSA-N 1 0 399.257 1.462 20 0 GDADRO Cc1csc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1I ZINC000592308544 531776714 /nfs/dbraw/zinc/77/67/14/531776714.db2.gz OCKYNOYKQQVXDR-RKDXNWHRSA-N 1 0 380.251 1.849 20 0 GDADRO COc1cc(Cn2cc([C@@H]([NH3+])C3CCOCC3)nn2)c(Br)cn1 ZINC000641104037 531776925 /nfs/dbraw/zinc/77/69/25/531776925.db2.gz QKIIWQAZTMZRBR-HNNXBMFYSA-N 1 0 382.262 1.919 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2CCC[NH2+]CC2)s1 ZINC000417516920 531778042 /nfs/dbraw/zinc/77/80/42/531778042.db2.gz PIINHNVFNKXLES-UHFFFAOYSA-N 1 0 388.559 1.326 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(Br)cc2)C1 ZINC000417545249 531779742 /nfs/dbraw/zinc/77/97/42/531779742.db2.gz OHVUJXFPBHYHJS-ZDUSSCGKSA-N 1 0 383.290 1.446 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2csc3ccccc32)C1 ZINC000508526198 531779884 /nfs/dbraw/zinc/77/98/84/531779884.db2.gz AHGFVMOQWQCGCF-ZDUSSCGKSA-N 1 0 381.523 1.767 20 0 GDADRO Cc1cc(N2CCC[C@H](n3cc([C@H]([NH3+])CO)nn3)C2=O)ccc1Br ZINC000641116800 531780022 /nfs/dbraw/zinc/78/00/22/531780022.db2.gz FZWWINVCLLANOO-HIFRSBDPSA-N 1 0 394.273 1.709 20 0 GDADRO COCC[NH2+]CCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418088098 531801636 /nfs/dbraw/zinc/80/16/36/531801636.db2.gz JIKZVASLCAXVIK-UHFFFAOYSA-N 1 0 396.289 1.670 20 0 GDADRO CN(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)s1 ZINC000269854359 531784796 /nfs/dbraw/zinc/78/47/96/531784796.db2.gz YMZIFVZBDSAKSM-UHFFFAOYSA-N 1 0 380.948 1.992 20 0 GDADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000510320553 531785076 /nfs/dbraw/zinc/78/50/76/531785076.db2.gz FNEOKNDPGJIOAR-GJZGRUSLSA-N 1 0 391.603 1.428 20 0 GDADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000592435109 531785140 /nfs/dbraw/zinc/78/51/40/531785140.db2.gz RNTBKEMRFZYBGZ-CQSZACIVSA-N 1 0 384.267 1.911 20 0 GDADRO C[C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)Oc1ccccc1Br ZINC000417816894 531786526 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GDADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511545111 531794433 /nfs/dbraw/zinc/79/44/33/531794433.db2.gz ISKXOROPGFIBMT-INIZCTEOSA-N 1 0 386.290 1.728 20 0 GDADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623028271 531794448 /nfs/dbraw/zinc/79/44/48/531794448.db2.gz FKDFTKXXKFHLMB-GWCFXTLKSA-N 1 0 379.262 1.589 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N[C@H](C[NH3+])C3CC3)C2=O)ccc1Br ZINC000418010304 531796824 /nfs/dbraw/zinc/79/68/24/531796824.db2.gz JIIGPULDHXFIQV-HUUCEWRRSA-N 1 0 395.301 1.899 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)N[C@@H](C)C[NH3+])C2=O)ccc1Br ZINC000418009260 531796873 /nfs/dbraw/zinc/79/68/73/531796873.db2.gz HXUPGKVBSODKEM-SMDDNHRTSA-N 1 0 383.290 1.899 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000366964526 531796836 /nfs/dbraw/zinc/79/68/36/531796836.db2.gz UYGSAIWWAIELLX-UWVGGRQHSA-N 1 0 392.294 1.741 20 0 GDADRO CO[C@@H](CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(F)(F)F ZINC000418075567 531798654 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C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418166392 531811432 /nfs/dbraw/zinc/81/14/32/531811432.db2.gz JCUDMJGBQBZXAJ-GHMZBOCLSA-N 1 0 392.884 1.136 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000515844126 531812458 /nfs/dbraw/zinc/81/24/58/531812458.db2.gz PLGHEBPKQKEICZ-GXSJLCMTSA-N 1 0 375.878 1.665 20 0 GDADRO CCC[NH2+]CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000515847672 531813592 /nfs/dbraw/zinc/81/35/92/531813592.db2.gz CWPZVVUQMPRWHQ-NSHDSACASA-N 1 0 381.420 1.488 20 0 GDADRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453420028 531815390 /nfs/dbraw/zinc/81/53/90/531815390.db2.gz LGWQEUOLWXCYKW-RTHLEPHNSA-N 1 0 380.297 1.960 20 0 GDADRO CCN1C[C@@H]([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1=O ZINC000453375638 531815501 /nfs/dbraw/zinc/81/55/01/531815501.db2.gz XIXZWKFXIPMKSD-KOLCDFICSA-N 1 0 390.303 1.368 20 0 GDADRO CC1([NH3+])CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000669581545 531815515 /nfs/dbraw/zinc/81/55/15/531815515.db2.gz CFSAHGJMQIYDKP-UHFFFAOYSA-N 1 0 392.884 1.280 20 0 GDADRO CC1([NH3+])CCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000669578879 531816186 /nfs/dbraw/zinc/81/61/86/531816186.db2.gz DEPNGCWHGNOKEE-UHFFFAOYSA-N 1 0 388.921 1.531 20 0 GDADRO CC1(C)CN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC[NH2+]1 ZINC000669583991 531816467 /nfs/dbraw/zinc/81/64/67/531816467.db2.gz GNNULYOWWPFSFW-CYBMUJFWSA-N 1 0 386.543 1.152 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N[C@H]1CSc2ccc(Br)cc21 ZINC000669572272 531816536 /nfs/dbraw/zinc/81/65/36/531816536.db2.gz RTLCDZJCTYWSNQ-ZDUSSCGKSA-N 1 0 385.331 1.800 20 0 GDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000269984807 531817340 /nfs/dbraw/zinc/81/73/40/531817340.db2.gz DOYKIVHGMSXSTK-ZDUSSCGKSA-N 1 0 379.302 1.835 20 0 GDADRO Cn1cc(I)c(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)n1 ZINC000418250573 531817402 /nfs/dbraw/zinc/81/74/02/531817402.db2.gz HKUKSNKMXYFTEM-NSHDSACASA-N 1 0 391.257 1.341 20 0 GDADRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCc1ccc(Br)cc1Cl ZINC000418234310 531817485 /nfs/dbraw/zinc/81/74/85/531817485.db2.gz PYXKODDWGWLYTA-ZDUSSCGKSA-N 1 0 389.725 1.848 20 0 GDADRO C[C@H](NC(=O)NCc1nn(C)cc1I)[C@H]1CCC[NH2+]C1 ZINC000418270549 531817498 /nfs/dbraw/zinc/81/74/98/531817498.db2.gz ZEECPSYTDQSGMJ-UWVGGRQHSA-N 1 0 391.257 1.212 20 0 GDADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000563244614 531823177 /nfs/dbraw/zinc/82/31/77/531823177.db2.gz DQHJCYVQPKQLRX-OAHLLOKOSA-N 1 0 391.331 1.979 20 0 GDADRO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418378994 531823526 /nfs/dbraw/zinc/82/35/26/531823526.db2.gz KCRCACSPLANHNR-NSHDSACASA-N 1 0 389.319 1.520 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418402893 531824970 /nfs/dbraw/zinc/82/49/70/531824970.db2.gz ZRERGXMUXXCYKH-AAEUAGOBSA-N 1 0 390.297 1.894 20 0 GDADRO CC(C)([NH3+])CNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000418412022 531825009 /nfs/dbraw/zinc/82/50/09/531825009.db2.gz 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O=C(CCOc1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670409664 531829555 /nfs/dbraw/zinc/82/95/55/531829555.db2.gz RRAXTGWHGRBJFV-HNNXBMFYSA-N 1 0 382.302 1.724 20 0 GDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000367210316 531819781 /nfs/dbraw/zinc/81/97/81/531819781.db2.gz CAVPZDORJSUXDW-UONOGXRCSA-N 1 0 384.274 1.529 20 0 GDADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000418301489 531820685 /nfs/dbraw/zinc/82/06/85/531820685.db2.gz RNTOYLIOABOQSV-CYBMUJFWSA-N 1 0 381.318 1.983 20 0 GDADRO COCC[N@H+](C)CCCNC(=O)NCc1cc(Br)cnc1OC ZINC000623709599 531820867 /nfs/dbraw/zinc/82/08/67/531820867.db2.gz BWLDWNYIWJVBQC-UHFFFAOYSA-N 1 0 389.294 1.620 20 0 GDADRO C[C@H](C[NH3+])NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000418518014 531829803 /nfs/dbraw/zinc/82/98/03/531829803.db2.gz WVSNLATXTSVTBR-GFCCVEGCSA-N 1 0 399.289 1.029 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000418349712 531821203 /nfs/dbraw/zinc/82/12/03/531821203.db2.gz 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C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418763822 531837565 /nfs/dbraw/zinc/83/75/65/531837565.db2.gz NLDWDSPLBIQYRW-BLLLJJGKSA-N 1 0 381.318 1.809 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000418765165 531837789 /nfs/dbraw/zinc/83/77/89/531837789.db2.gz BBADQWGLAXUDMV-MRXNPFEDSA-N 1 0 384.274 1.271 20 0 GDADRO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)Cn2cc(Br)ccc2=O)n1 ZINC000624304335 531838016 /nfs/dbraw/zinc/83/80/16/531838016.db2.gz DMRXDWNIBAKELZ-IUPBHXKESA-N 1 0 383.246 1.811 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000270178458 531838472 /nfs/dbraw/zinc/83/84/72/531838472.db2.gz BQLJUCNSNXXBTN-ZDUSSCGKSA-N 1 0 389.543 1.261 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cc(OC)ccc2Br)C1 ZINC000418781043 531839117 /nfs/dbraw/zinc/83/91/17/531839117.db2.gz LOPVDGFBNNZRNS-LBPRGKRZSA-N 1 0 398.301 1.532 20 0 GDADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](O)COc2ccccc2Br)C1 ZINC000418777905 531839180 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Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC([NH+](C)C)C3)C2)s1 ZINC000670402669 531831051 /nfs/dbraw/zinc/83/10/51/531831051.db2.gz JQVLMGUWWKWQLR-WLYUNCDWSA-N 1 0 385.555 1.666 20 0 GDADRO CC[N@H+](C)C[C@@H](O)CN(C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000563360301 531831034 /nfs/dbraw/zinc/83/10/34/531831034.db2.gz GFRNNHOVPYNMCP-WBMJQRKESA-N 1 0 375.307 1.736 20 0 GDADRO O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)NC[C@H]1CC[NH2+]C1 ZINC000418548527 531831600 /nfs/dbraw/zinc/83/16/00/531831600.db2.gz SHCOIGYXRWDWPU-WCQYABFASA-N 1 0 388.281 1.648 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000418574927 531831741 /nfs/dbraw/zinc/83/17/41/531831741.db2.gz MQQGFZQCGJEOQM-INWMFGNUSA-N 1 0 384.318 1.897 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000418612543 531831897 /nfs/dbraw/zinc/83/18/97/531831897.db2.gz HZZREYAEIXMMBK-JTQLQIEISA-N 1 0 395.312 1.357 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418839055 531850783 /nfs/dbraw/zinc/85/07/83/531850783.db2.gz CAFPLCBRXVVFAY-YUELXQCFSA-N 1 0 394.313 1.564 20 0 GDADRO CN(CCCC[NH+]1CCCCC1)C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000641743449 531851687 /nfs/dbraw/zinc/85/16/87/531851687.db2.gz VVLCABPDQTYOSG-UHFFFAOYSA-N 1 0 388.559 1.803 20 0 GDADRO Cc1ccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1I ZINC000594391718 531851802 /nfs/dbraw/zinc/85/18/02/531851802.db2.gz CHYIJQYQYFIMCX-QWHCGFSZSA-N 1 0 386.233 1.491 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418844826 531851886 /nfs/dbraw/zinc/85/18/86/531851886.db2.gz NFNVUOMXGNDXEK-NSHDSACASA-N 1 0 395.301 1.561 20 0 GDADRO C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000418842112 531852320 /nfs/dbraw/zinc/85/23/20/531852320.db2.gz ZSPAETYWGQNJKQ-SHPPOPEUSA-N 1 0 394.313 1.926 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418848444 531853095 /nfs/dbraw/zinc/85/30/95/531853095.db2.gz YRXXPJMYLNMINL-UPJWGTAASA-N 1 0 382.302 1.705 20 0 GDADRO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000418847733 531853274 /nfs/dbraw/zinc/85/32/74/531853274.db2.gz JSELWFLQVUOPEY-JHJVBQTASA-N 1 0 398.301 1.591 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418850454 531854428 /nfs/dbraw/zinc/85/44/28/531854428.db2.gz QFNHUMXIYAOJBS-IINYFYTJSA-N 1 0 386.265 1.361 20 0 GDADRO [NH3+]C/C=C\CNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000641864265 531854784 /nfs/dbraw/zinc/85/47/84/531854784.db2.gz BBKFVBJRYMHLGH-UPHRSURJSA-N 1 0 381.274 1.431 20 0 GDADRO [NH3+]C/C=C\CNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000641864271 531855135 /nfs/dbraw/zinc/85/51/35/531855135.db2.gz BIDQVRHBUDTBFY-UPHRSURJSA-N 1 0 392.934 1.322 20 0 GDADRO COc1cc(OC)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000624390448 531840735 /nfs/dbraw/zinc/84/07/35/531840735.db2.gz BYNFOJNWICHWJV-IINYFYTJSA-N 1 0 382.404 1.852 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC000283227577 531841715 /nfs/dbraw/zinc/84/17/15/531841715.db2.gz AEFFBPRFRBXCSH-UHFFFAOYSA-N 1 0 378.420 1.721 20 0 GDADRO CCN(CC[NH3+])S(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 ZINC000624382450 531841664 /nfs/dbraw/zinc/84/16/64/531841664.db2.gz CDYWFHYTICBOFX-UHFFFAOYSA-N 1 0 398.312 1.430 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418809211 531843020 /nfs/dbraw/zinc/84/30/20/531843020.db2.gz MGBMBVFLTLTJPN-NPZRNVLXSA-N 1 0 398.276 1.756 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000418808619 531843123 /nfs/dbraw/zinc/84/31/23/531843123.db2.gz LBLXTOMHXJANJL-KHIZAZIESA-N 1 0 398.276 1.758 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000418812329 531844026 /nfs/dbraw/zinc/84/40/26/531844026.db2.gz RJHJPEYBHUMOKF-CHWFTXMASA-N 1 0 386.315 1.678 20 0 GDADRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000624409697 531844183 /nfs/dbraw/zinc/84/41/83/531844183.db2.gz MAPCSKPMIURPGB-UHFFFAOYSA-N 1 0 391.559 1.049 20 0 GDADRO CN(CCOCC[NH3+])S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000624408940 531845423 /nfs/dbraw/zinc/84/54/23/531845423.db2.gz KYDREVUOVCRFLQ-ZDUSSCGKSA-N 1 0 392.905 1.351 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000418828780 531848044 /nfs/dbraw/zinc/84/80/44/531848044.db2.gz IBWXEODHCDENKK-JKSUJKDBSA-N 1 0 394.313 1.879 20 0 GDADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642982198 531866413 /nfs/dbraw/zinc/86/64/13/531866413.db2.gz RBKWCEDQCPOXGU-LBPRGKRZSA-N 1 0 386.265 1.805 20 0 GDADRO [NH3+]C1(CNS(=O)(=O)c2ccc(I)cc2)CCCC1 ZINC000595120765 531866496 /nfs/dbraw/zinc/86/64/96/531866496.db2.gz UZXUXPGMGCXRFH-UHFFFAOYSA-N 1 0 380.251 1.841 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000595123468 531866594 /nfs/dbraw/zinc/86/65/94/531866594.db2.gz ZWHFIIYMYDUPBJ-VXGBXAGGSA-N 1 0 384.351 1.552 20 0 GDADRO CS(=O)(=O)c1cccc(Br)c1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000643040628 531867124 /nfs/dbraw/zinc/86/71/24/531867124.db2.gz CPVBAIDQEYXKDP-LBPRGKRZSA-N 1 0 388.331 1.337 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418940002 531867711 /nfs/dbraw/zinc/86/77/11/531867711.db2.gz RXEZLKKCMSRAES-HNNXBMFYSA-N 1 0 394.313 1.855 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000418940640 531868174 /nfs/dbraw/zinc/86/81/74/531868174.db2.gz SVTLCKUOJUSJEZ-OAHLLOKOSA-N 1 0 394.313 1.937 20 0 GDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3ccc(Br)cc3)[C@H]2C1 ZINC000283499614 531868961 /nfs/dbraw/zinc/86/89/61/531868961.db2.gz IMYWTICTNJMTTI-HIFRSBDPSA-N 1 0 380.286 1.618 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270288778 531856476 /nfs/dbraw/zinc/85/64/76/531856476.db2.gz WMKGNJGQUSZTRV-HIFRSBDPSA-N 1 0 385.555 1.605 20 0 GDADRO C[C@@H]1CN(CCSc2nnc(-c3cncc(Br)c3)n2N)CCO1 ZINC000298142025 531856997 /nfs/dbraw/zinc/85/69/97/531856997.db2.gz AZVJIVCNZIFLFS-SNVBAGLBSA-N 1 0 399.318 1.629 20 0 GDADRO COc1cc(C[NH2+]CCCN(C)S(C)(=O)=O)cc(Br)c1O ZINC000642342207 531858927 /nfs/dbraw/zinc/85/89/27/531858927.db2.gz LKKPJVMXUPTFEB-UHFFFAOYSA-N 1 0 381.292 1.534 20 0 GDADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)c1ccc(Br)cc1 ZINC000418866625 531859009 /nfs/dbraw/zinc/85/90/09/531859009.db2.gz OHFYKCSBDGLCAN-SUNKGSAMSA-N 1 0 398.301 1.856 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418868602 531859339 /nfs/dbraw/zinc/85/93/39/531859339.db2.gz QXKIOKUSDIEOIK-GXTWGEPZSA-N 1 0 397.317 1.244 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418881165 531860272 /nfs/dbraw/zinc/86/02/72/531860272.db2.gz GVNIRDIIGRSHFC-NEPJUHHUSA-N 1 0 388.237 1.237 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000563673211 531860649 /nfs/dbraw/zinc/86/06/49/531860649.db2.gz IBAANKIZIZTRSB-CQSZACIVSA-N 1 0 389.543 1.138 20 0 GDADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000563677845 531860673 /nfs/dbraw/zinc/86/06/73/531860673.db2.gz DSBZCHFWVYRZMV-ZDUSSCGKSA-N 1 0 388.559 1.446 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000672004805 531861233 /nfs/dbraw/zinc/86/12/33/531861233.db2.gz LMPAGBQQCXDPEZ-BXUZGUMPSA-N 1 0 398.301 1.673 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418891243 531862078 /nfs/dbraw/zinc/86/20/78/531862078.db2.gz XGRPHRYGLDGNAV-PRHODGIISA-N 1 0 388.237 1.110 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000642724319 531862878 /nfs/dbraw/zinc/86/28/78/531862878.db2.gz AZBBHAVKOCXIIW-UHFFFAOYSA-N 1 0 384.274 1.190 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418943709 531869348 /nfs/dbraw/zinc/86/93/48/531869348.db2.gz ZCANPECAJLOYFY-GFCCVEGCSA-N 1 0 382.302 1.793 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418926085 531864362 /nfs/dbraw/zinc/86/43/62/531864362.db2.gz SXAJOUBYMNJYQC-CYBMUJFWSA-N 1 0 388.281 1.737 20 0 GDADRO O=C(NCc1cc(F)cc(Br)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418944282 531869205 /nfs/dbraw/zinc/86/92/05/531869205.db2.gz MEYFBBZINYNESJ-MRXNPFEDSA-N 1 0 384.249 1.416 20 0 GDADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000367798890 531864908 /nfs/dbraw/zinc/86/49/08/531864908.db2.gz SCRBSHVALQNDSY-DGCLKSJQSA-N 1 0 387.299 1.757 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418944072 531869268 /nfs/dbraw/zinc/86/92/68/531869268.db2.gz ZTPZSQAZWMLTEB-LBPRGKRZSA-N 1 0 382.302 1.698 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc1F ZINC000564960473 531870981 /nfs/dbraw/zinc/87/09/81/531870981.db2.gz GFYZUPKEWQMFJJ-LBPRGKRZSA-N 1 0 393.506 1.479 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCOc2cccc(Br)c2)C1 ZINC000418950017 531870932 /nfs/dbraw/zinc/87/09/32/531870932.db2.gz ORLDPIWRLBPQDZ-AAEUAGOBSA-N 1 0 384.274 1.188 20 0 GDADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000564966972 531871404 /nfs/dbraw/zinc/87/14/04/531871404.db2.gz PVMRHBAQKQTADS-LBPRGKRZSA-N 1 0 395.859 1.610 20 0 GDADRO CCOC(=O)c1sc2ncc(S(=O)(=O)NC[C@H]([NH3+])C3CC3)cc2c1C ZINC000564966123 531871585 /nfs/dbraw/zinc/87/15/85/531871585.db2.gz AZASPKWSADXMKQ-ZDUSSCGKSA-N 1 0 383.495 1.797 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cccc(I)c1 ZINC000595242076 531871934 /nfs/dbraw/zinc/87/19/34/531871934.db2.gz PUVUYLCNQIMCLD-UHFFFAOYSA-N 1 0 385.205 1.098 20 0 GDADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)NCCOc1cccc(Br)c1 ZINC000418955122 531872281 /nfs/dbraw/zinc/87/22/81/531872281.db2.gz UJZFAIJHQZKBRP-BXUZGUMPSA-N 1 0 384.274 1.188 20 0 GDADRO O=S(=O)(CCc1c(F)cccc1F)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000624999607 531873040 /nfs/dbraw/zinc/87/30/40/531873040.db2.gz SIHCATGNDQWNSM-CQSZACIVSA-N 1 0 376.469 1.664 20 0 GDADRO COC(=O)[C@H](NC(=O)c1cn(CCC[NH3+])nn1)c1ccccc1Br ZINC000595255927 531873495 /nfs/dbraw/zinc/87/34/95/531873495.db2.gz FXNNFZZEADYGGC-CYBMUJFWSA-N 1 0 396.245 1.034 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418975662 531873887 /nfs/dbraw/zinc/87/38/87/531873887.db2.gz RDJXKPMEBHLZPN-SNVBAGLBSA-N 1 0 394.273 1.152 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)C[C@H]1[NH+]1CCCC1 ZINC000595335485 531874379 /nfs/dbraw/zinc/87/43/79/531874379.db2.gz YIARLEBKVDFLGR-BRWVUGGUSA-N 1 0 392.587 1.412 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000283562353 531875746 /nfs/dbraw/zinc/87/57/46/531875746.db2.gz NMQVOUIXAHVNGV-WFASDCNBSA-N 1 0 382.302 1.864 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1Br ZINC000419002607 531878518 /nfs/dbraw/zinc/87/85/18/531878518.db2.gz CEXARDQUHLMXOS-TUAOUCFPSA-N 1 0 398.301 1.844 20 0 GDADRO CC(C)[C@@H](C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)[C@H](C)[NH3+] ZINC000566097073 531880180 /nfs/dbraw/zinc/88/01/80/531880180.db2.gz LFXURFJZJJIWQR-WCQYABFASA-N 1 0 387.468 1.421 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NC2CC[NH2+]CC2)cc1Br ZINC000419012954 531880351 /nfs/dbraw/zinc/88/03/51/531880351.db2.gz YCMKNMUDZFZNTL-JTQLQIEISA-N 1 0 384.274 1.503 20 0 GDADRO O=C(NCCC[NH2+]C[C@@H](O)Cn1cccn1)c1ccc(Br)cc1 ZINC000566109761 531880551 /nfs/dbraw/zinc/88/05/51/531880551.db2.gz TXZQTJUPEMYOFU-OAHLLOKOSA-N 1 0 381.274 1.416 20 0 GDADRO CN(CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000566244704 531881854 /nfs/dbraw/zinc/88/18/54/531881854.db2.gz XAUNPJGTKVAGRT-HNNXBMFYSA-N 1 0 385.295 1.462 20 0 GDADRO CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000367975735 531882432 /nfs/dbraw/zinc/88/24/32/531882432.db2.gz BYNJPJAUUWVCFR-MQBCKMQZSA-N 1 0 386.539 1.657 20 0 GDADRO CO[C@H]1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[C@@H](C[NH3+])C1 ZINC000566248463 531882962 /nfs/dbraw/zinc/88/29/62/531882962.db2.gz FBAXXPXRZLDCKH-NEPJUHHUSA-N 1 0 375.878 1.290 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CCc2ccc(Br)cc2)C1 ZINC000419029046 531883641 /nfs/dbraw/zinc/88/36/41/531883641.db2.gz XMPSQOFTRBNEJV-HIFRSBDPSA-N 1 0 396.329 1.954 20 0 GDADRO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](O)c2cccc(Br)c2)CC1=O ZINC000283503376 531869700 /nfs/dbraw/zinc/86/97/00/531869700.db2.gz YZIKKNFPJKHQDZ-DZGCQCFKSA-N 1 0 398.301 1.009 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)NCc2cccc(Br)c2Cl)CC[C@@H]1[NH3+] ZINC000419048468 531891098 /nfs/dbraw/zinc/89/10/98/531891098.db2.gz ACVJLJNKZAPGEB-CABZTGNLSA-N 1 0 388.693 1.914 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419052371 531892381 /nfs/dbraw/zinc/89/23/81/531892381.db2.gz HQXDGRXMEJUACZ-GXTWGEPZSA-N 1 0 382.302 1.694 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419053402 531892676 /nfs/dbraw/zinc/89/26/76/531892676.db2.gz JVGIHIHAEZXJAV-UKRRQHHQSA-N 1 0 382.302 1.740 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CCCO1 ZINC000419088812 531899552 /nfs/dbraw/zinc/89/95/52/531899552.db2.gz BYQLIRHELSPFCZ-QMTHXVAHSA-N 1 0 386.279 1.673 20 0 GDADRO CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC[C@@H]1[NH3+] ZINC000647006123 531893047 /nfs/dbraw/zinc/89/30/47/531893047.db2.gz LHTYCZVLXWLEIL-ILXRZTDVSA-N 1 0 385.555 1.877 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419053949 531893841 /nfs/dbraw/zinc/89/38/41/531893841.db2.gz KYFUIXIYHGHGAS-KGLIPLIRSA-N 1 0 382.302 1.755 20 0 GDADRO Cc1nc(-c2ccc(CCNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)s2)cs1 ZINC000419055274 531894182 /nfs/dbraw/zinc/89/41/82/531894182.db2.gz ARIFFCBIQMXUAZ-ZDUSSCGKSA-N 1 0 378.523 1.692 20 0 GDADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419057178 531894842 /nfs/dbraw/zinc/89/48/42/531894842.db2.gz UCYJNCSYYKUDLV-HIFRSBDPSA-N 1 0 382.302 1.740 20 0 GDADRO COCc1cc(Cl)cc(S(=O)(=O)NCCCN2CCC[C@H]2C(N)=O)c1 ZINC000625378980 531895030 /nfs/dbraw/zinc/89/50/30/531895030.db2.gz XROGUNMASLBSNJ-HNNXBMFYSA-N 1 0 389.905 1.105 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2sc3c(c2I)CNC3)C1 ZINC000595948586 531895576 /nfs/dbraw/zinc/89/55/76/531895576.db2.gz SLBHKZPDQSICJR-JGVFFNPUSA-N 1 0 391.278 1.765 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419059339 531896189 /nfs/dbraw/zinc/89/61/89/531896189.db2.gz XNMSMSNNQVZNHP-ZFWWWQNUSA-N 1 0 384.318 1.986 20 0 GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419066445 531896740 /nfs/dbraw/zinc/89/67/40/531896740.db2.gz JPDLFEZIZQVBRD-KOLCDFICSA-N 1 0 388.693 1.914 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cn2)CC12CCOCC2 ZINC000567588053 531897550 /nfs/dbraw/zinc/89/75/50/531897550.db2.gz IOGIXEWTIYZKSP-LLVKDONJSA-N 1 0 390.303 1.220 20 0 GDADRO CN(C)S(=O)(=O)N1CCCN(Cc2ccncc2Br)CC1 ZINC000625440351 531897836 /nfs/dbraw/zinc/89/78/36/531897836.db2.gz ONVBNRLOXUWLOG-UHFFFAOYSA-N 1 0 377.308 1.158 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419078034 531897966 /nfs/dbraw/zinc/89/79/66/531897966.db2.gz SIPNHZPYCMAFAH-CHWSQXEVSA-N 1 0 397.317 1.103 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419078037 531898190 /nfs/dbraw/zinc/89/81/90/531898190.db2.gz SIPNHZPYCMAFAH-STQMWFEESA-N 1 0 397.317 1.103 20 0 GDADRO [NH3+][C@H](CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1)C1CC1 ZINC000419083893 531898953 /nfs/dbraw/zinc/89/89/53/531898953.db2.gz XKTFWMDUQLREOC-CQSZACIVSA-N 1 0 380.286 1.450 20 0 GDADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000595963351 531899385 /nfs/dbraw/zinc/89/93/85/531899385.db2.gz LBHPOHPMZCALED-RYUDHWBXSA-N 1 0 394.640 1.925 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)NCCOCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000283690991 531885578 /nfs/dbraw/zinc/88/55/78/531885578.db2.gz OYIHQXNUUXUUAO-HNNXBMFYSA-N 1 0 391.921 1.303 20 0 GDADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000419042022 531886949 /nfs/dbraw/zinc/88/69/49/531886949.db2.gz ORUIAZPYRIDQFR-UHIISALHSA-N 1 0 396.285 1.633 20 0 GDADRO O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419042047 531887453 /nfs/dbraw/zinc/88/74/53/531887453.db2.gz OVXJNUXSTLEXKW-CYBMUJFWSA-N 1 0 378.885 1.600 20 0 GDADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)COc2ccc(F)cc2Br)C1 ZINC000646022666 531887654 /nfs/dbraw/zinc/88/76/54/531887654.db2.gz ADBUQMYOJUAHLY-INIZCTEOSA-N 1 0 389.265 1.882 20 0 GDADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(I)cc1F ZINC000566504785 531889402 /nfs/dbraw/zinc/88/94/02/531889402.db2.gz HLEJMXFGUWCJHQ-UHFFFAOYSA-N 1 0 379.173 1.222 20 0 GDADRO CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000270542320 531889438 /nfs/dbraw/zinc/88/94/38/531889438.db2.gz YAFWDMTXCHECKZ-HOTGVXAUSA-N 1 0 385.555 1.031 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC[C@H](C)[NH+](C)C ZINC000298452652 531890289 /nfs/dbraw/zinc/89/02/89/531890289.db2.gz VGYLRNVEHGRWAG-HOCLYGCPSA-N 1 0 387.571 1.461 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)N(C)Cc2cc(Br)cs2)CCO1 ZINC000647863592 531899736 /nfs/dbraw/zinc/89/97/36/531899736.db2.gz FWZLGYRBVKPCOD-GWCFXTLKSA-N 1 0 376.320 1.517 20 0 GDADRO CC(C)[NH2+]CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000566678665 531891061 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Cc1cccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1Br ZINC000419166100 531908753 /nfs/dbraw/zinc/90/87/53/531908753.db2.gz OIAZPYCBMAQKLK-ZIAGYGMSSA-N 1 0 380.286 1.442 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1Br ZINC000419169062 531908929 /nfs/dbraw/zinc/90/89/29/531908929.db2.gz UCJKGUSDRDIVTR-ZNMIVQPWSA-N 1 0 394.313 1.960 20 0 GDADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000568511540 531909954 /nfs/dbraw/zinc/90/99/54/531909954.db2.gz ONCNDBWBDRPHRT-IUCAKERBSA-N 1 0 382.262 1.184 20 0 GDADRO CNC(=O)NCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456367086 531910310 /nfs/dbraw/zinc/91/03/10/531910310.db2.gz JGTAPPORRNSTIA-LLVKDONJSA-N 1 0 398.305 1.457 20 0 GDADRO C[NH2+]CC1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000419193851 531911948 /nfs/dbraw/zinc/91/19/48/531911948.db2.gz RMBUCXQCYZJQQG-UHFFFAOYSA-N 1 0 382.302 1.566 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419215131 531914355 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CCCN(C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1)[C@@H]1CC[NH2+]C1 ZINC000419652822 531948099 /nfs/dbraw/zinc/94/80/99/531948099.db2.gz VTBTXTNIERPKJS-SNVBAGLBSA-N 1 0 378.420 1.421 20 0 GDADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627271550 531948177 /nfs/dbraw/zinc/94/81/77/531948177.db2.gz XHBNBSRADQTHQD-RRFJBIMHSA-N 1 0 395.297 1.983 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419657870 531948539 /nfs/dbraw/zinc/94/85/39/531948539.db2.gz WAZBHVSJWZLARP-OCCSQVGLSA-N 1 0 397.317 1.258 20 0 GDADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419652161 531948571 /nfs/dbraw/zinc/94/85/71/531948571.db2.gz POOUIHLFUFGAPU-XPTSAGLGSA-N 1 0 398.326 1.684 20 0 GDADRO CC(=O)Nc1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000652383403 531948653 /nfs/dbraw/zinc/94/86/53/531948653.db2.gz QAKOYMJOALTEMD-YNEHKIRRSA-N 1 0 388.515 1.151 20 0 GDADRO COc1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Cl ZINC000652383282 531948676 /nfs/dbraw/zinc/94/86/76/531948676.db2.gz KIQHGFIIOKIKCQ-NILFDRSVSA-N 1 0 389.905 1.793 20 0 GDADRO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000369206480 531949811 /nfs/dbraw/zinc/94/98/11/531949811.db2.gz VVWWMGUDDUVPIC-LBPRGKRZSA-N 1 0 388.511 1.696 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419671830 531950752 /nfs/dbraw/zinc/95/07/52/531950752.db2.gz GMNSVAFMNLYPLP-SNVBAGLBSA-N 1 0 384.274 1.114 20 0 GDADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419592295 531939834 /nfs/dbraw/zinc/93/98/34/531939834.db2.gz VTXCOKTVTWNMPX-ABAIWWIYSA-N 1 0 380.286 1.892 20 0 GDADRO C[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)Oc1ccc(Br)cc1 ZINC000419603232 531939885 /nfs/dbraw/zinc/93/98/85/531939885.db2.gz AYPZKPWRHORWHO-GFCCVEGCSA-N 1 0 398.301 1.530 20 0 GDADRO C[NH2+]CCOCCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000626868416 531940506 /nfs/dbraw/zinc/94/05/06/531940506.db2.gz VFNFDTVHIILCFP-UHFFFAOYSA-N 1 0 380.189 1.018 20 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/nfs/dbraw/zinc/96/12/31/531961231.db2.gz XXUFZOKZQZIESW-STQMWFEESA-N 1 0 386.315 1.870 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C[C@H]1[NH+](C)C ZINC000271086467 531963740 /nfs/dbraw/zinc/96/37/40/531963740.db2.gz JAMNJTVAKBYQJF-CVEARBPZSA-N 1 0 383.539 1.245 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000419679999 531953484 /nfs/dbraw/zinc/95/34/84/531953484.db2.gz RJZCFFQOIIZMJZ-LBPRGKRZSA-N 1 0 379.258 1.367 20 0 GDADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419679547 531953658 /nfs/dbraw/zinc/95/36/58/531953658.db2.gz QPPIFDWEZSHYMW-WDEREUQCSA-N 1 0 393.285 1.742 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2cc3cc(Br)ccc3[nH]2)CC[C@@H]1[NH3+] ZINC000419679981 531953857 /nfs/dbraw/zinc/95/38/57/531953857.db2.gz REBBDISHUVGGLG-YGRLFVJLSA-N 1 0 393.285 1.742 20 0 GDADRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000627468708 531954141 /nfs/dbraw/zinc/95/41/41/531954141.db2.gz CARWVLAXJYDNNL-HUUCEWRRSA-N 1 0 396.285 1.217 20 0 GDADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(CNC(C)=O)s2)C[C@H]1[NH+](C)C ZINC000271014100 531954949 /nfs/dbraw/zinc/95/49/49/531954949.db2.gz DMZMCQFUNXCNIA-CHWSQXEVSA-N 1 0 377.557 1.050 20 0 GDADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000571763393 531954993 /nfs/dbraw/zinc/95/49/93/531954993.db2.gz BSCQGPIECQUHMP-RISCZKNCSA-N 1 0 388.237 1.237 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CCCO1 ZINC000419691810 531956573 /nfs/dbraw/zinc/95/65/73/531956573.db2.gz AKLAIMOVZPCMLR-BXKDBHETSA-N 1 0 388.251 1.119 20 0 GDADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(Br)s3)C[C@H]21 ZINC000419689929 531956618 /nfs/dbraw/zinc/95/66/18/531956618.db2.gz JNIFSWYIBSPDAZ-MVWJERBFSA-N 1 0 386.315 1.713 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CCCO1 ZINC000419691816 531956699 /nfs/dbraw/zinc/95/66/99/531956699.db2.gz AKLAIMOVZPCMLR-SKDRFNHKSA-N 1 0 388.251 1.119 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CSCCS1)c1ccc(F)cc1 ZINC000284497688 531965072 /nfs/dbraw/zinc/96/50/72/531965072.db2.gz IPVRCJXIJOYOHQ-GJZGRUSLSA-N 1 0 385.530 1.509 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000271102997 531965912 /nfs/dbraw/zinc/96/59/12/531965912.db2.gz KMPSAKOSIAACRK-CYBMUJFWSA-N 1 0 398.301 1.781 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000419762405 531966622 /nfs/dbraw/zinc/96/66/22/531966622.db2.gz SCRBJQCVFBFHHI-UHFFFAOYSA-N 1 0 384.210 1.937 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419778124 531968060 /nfs/dbraw/zinc/96/80/60/531968060.db2.gz MIUJVUPUFAUJIA-LLVKDONJSA-N 1 0 398.301 1.832 20 0 GDADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCN(C)S(=O)(=O)c2cccs2)C1 ZINC000572579027 531968745 /nfs/dbraw/zinc/96/87/45/531968745.db2.gz HLYUJQAIEYLUMC-CQSZACIVSA-N 1 0 388.559 1.493 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419783549 531969092 /nfs/dbraw/zinc/96/90/92/531969092.db2.gz SKRNOSBDCHFLFX-MDZLAQPJSA-N 1 0 398.301 1.892 20 0 GDADRO COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419795149 531970233 /nfs/dbraw/zinc/97/02/33/531970233.db2.gz IZJWIFMTUQZXFH-UHFFFAOYSA-N 1 0 398.257 1.385 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000419789254 531970743 /nfs/dbraw/zinc/97/07/43/531970743.db2.gz CEZYJQYSPHBMGV-QMTHXVAHSA-N 1 0 388.295 1.881 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419786387 531970855 /nfs/dbraw/zinc/97/08/55/531970855.db2.gz YLMNGFXCDOYMEZ-UHIISALHSA-N 1 0 398.301 1.749 20 0 GDADRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419812773 531972448 /nfs/dbraw/zinc/97/24/48/531972448.db2.gz TWDJGKPQWXWTIN-SECBINFHSA-N 1 0 378.292 1.099 20 0 GDADRO CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H](O)C(C)C ZINC000419818621 531973415 /nfs/dbraw/zinc/97/34/15/531973415.db2.gz MLKSDLDJAIHSED-JSGCOSHPSA-N 1 0 379.320 1.982 20 0 GDADRO C[C@@H](NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000573002588 531973906 /nfs/dbraw/zinc/97/39/06/531973906.db2.gz NYWBMJNNGUJKNW-WDEREUQCSA-N 1 0 381.420 1.616 20 0 GDADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)NCCCC[NH3+] ZINC000419835525 531975232 /nfs/dbraw/zinc/97/52/32/531975232.db2.gz WCUQQGMSNAMFGL-IUODEOHRSA-N 1 0 398.301 1.593 20 0 GDADRO CN(Cc1cc(Br)ccc1Cl)C(=O)C(=O)NCCCC[NH3+] ZINC000419833160 531975291 /nfs/dbraw/zinc/97/52/91/531975291.db2.gz OUOLPDQZQBWJPJ-UHFFFAOYSA-N 1 0 376.682 1.916 20 0 GDADRO NC(=O)[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000655764418 531975599 /nfs/dbraw/zinc/97/55/99/531975599.db2.gz HAIVGNMBLLHAAX-JKSUJKDBSA-N 1 0 382.302 1.818 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419836602 531976977 /nfs/dbraw/zinc/97/69/77/531976977.db2.gz ZKBYXLURGGOMRQ-SWLSCSKDSA-N 1 0 398.301 1.073 20 0 GDADRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000419839103 531977278 /nfs/dbraw/zinc/97/72/78/531977278.db2.gz GZGUWEFFKVKDCV-LBPRGKRZSA-N 1 0 385.295 1.510 20 0 GDADRO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000628748027 531978077 /nfs/dbraw/zinc/97/80/77/531978077.db2.gz DLDIMNKVTNCWQP-CABCVRRESA-N 1 0 385.555 1.749 20 0 GDADRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000419846272 531978219 /nfs/dbraw/zinc/97/82/19/531978219.db2.gz GXPLVLKWPSPGMI-OAHLLOKOSA-N 1 0 380.286 1.981 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000419848327 531978487 /nfs/dbraw/zinc/97/84/87/531978487.db2.gz ULBUDBLAESBGGI-WFASDCNBSA-N 1 0 398.301 1.463 20 0 GDADRO CC[NH+](CC)CCCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000299300439 531978508 /nfs/dbraw/zinc/97/85/08/531978508.db2.gz JYEDTLJZRWYUHE-UHFFFAOYSA-N 1 0 388.559 1.214 20 0 GDADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419960177 531991861 /nfs/dbraw/zinc/99/18/61/531991861.db2.gz SEWWBISDRGKVQX-FZMZJTMJSA-N 1 0 398.301 1.832 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000419978915 531992581 /nfs/dbraw/zinc/99/25/81/531992581.db2.gz OSKGWPJOTGNMCS-GFCCVEGCSA-N 1 0 387.311 1.614 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000419984428 531992944 /nfs/dbraw/zinc/99/29/44/531992944.db2.gz DDOOYUJNSIBMKV-FZMZJTMJSA-N 1 0 384.274 1.203 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000419988093 531993045 /nfs/dbraw/zinc/99/30/45/531993045.db2.gz XTUXBKOZQVRXCT-CYBMUJFWSA-N 1 0 384.274 1.270 20 0 GDADRO Cc1cc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c2c([nH+]1)CCCC2 ZINC000573901932 531993414 /nfs/dbraw/zinc/99/34/14/531993414.db2.gz BTTCIXBMFCDKRC-UHFFFAOYSA-N 1 0 380.491 1.895 20 0 GDADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000419994272 531994262 /nfs/dbraw/zinc/99/42/62/531994262.db2.gz MTQTUCSSAUSYQI-BXUZGUMPSA-N 1 0 384.274 1.203 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)CC2 ZINC000419861879 531979363 /nfs/dbraw/zinc/97/93/63/531979363.db2.gz QBXRWNKXGNKWEF-CYBMUJFWSA-N 1 0 394.313 1.758 20 0 GDADRO C[C@@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000419863697 531979778 /nfs/dbraw/zinc/97/97/78/531979778.db2.gz IAZZZEOQSCQJMA-GFCCVEGCSA-N 1 0 387.311 1.582 20 0 GDADRO OCCOC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCOCC1 ZINC000573370517 531981690 /nfs/dbraw/zinc/98/16/90/531981690.db2.gz HHLDVNQHOLBDFG-AWEZNQCLSA-N 1 0 394.295 1.881 20 0 GDADRO C[C@H](O)C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000573358609 531981994 /nfs/dbraw/zinc/98/19/94/531981994.db2.gz KPNNQEMGMMVBEF-AAEUAGOBSA-N 1 0 377.304 1.573 20 0 GDADRO CS(=O)(=O)C1(C(=O)Nc2ccc(F)cc2OCC(F)F)CC[NH2+]CC1 ZINC000573374908 531982073 /nfs/dbraw/zinc/98/20/73/531982073.db2.gz CJYXTZBDSSWMIQ-UHFFFAOYSA-N 1 0 380.388 1.575 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000573370127 531982169 /nfs/dbraw/zinc/98/21/69/531982169.db2.gz VGBLVONSWYNZSP-LSDHHAIUSA-N 1 0 386.539 1.409 20 0 GDADRO C[N@H+](CCn1cc(Br)cn1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000573402584 531982968 /nfs/dbraw/zinc/98/29/68/531982968.db2.gz HETIZAZKEBGBKJ-GFCCVEGCSA-N 1 0 379.324 1.249 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000419901761 531983644 /nfs/dbraw/zinc/98/36/44/531983644.db2.gz UPHZVWNMTJPROY-WCQYABFASA-N 1 0 386.279 1.841 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3I)C[C@H]12 ZINC000573428040 531984451 /nfs/dbraw/zinc/98/44/51/531984451.db2.gz UCHXRAPVGBARFO-JFGNBEQYSA-N 1 0 399.232 1.425 20 0 GDADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1CN(C)CCO1)C2 ZINC000598545443 531985568 /nfs/dbraw/zinc/98/55/68/531985568.db2.gz SHRYHWAYCADKFK-VIFPVBQESA-N 1 0 389.271 1.470 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656942316 531986506 /nfs/dbraw/zinc/98/65/06/531986506.db2.gz DJQKIJIKNKNMOM-GFCCVEGCSA-N 1 0 385.711 1.693 20 0 GDADRO [NH3+][C@H]1CCc2nc(NC(=O)Cc3csc(N4CCCC4=O)n3)sc2C1 ZINC000573562235 531987252 /nfs/dbraw/zinc/98/72/52/531987252.db2.gz SOWCVDXTTHSTAU-VIFPVBQESA-N 1 0 377.495 1.724 20 0 GDADRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000299399965 531987464 /nfs/dbraw/zinc/98/74/64/531987464.db2.gz UVJCCGLQFHJTEO-KGLIPLIRSA-N 1 0 385.555 1.209 20 0 GDADRO CN(C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCSC1 ZINC000573751672 531988870 /nfs/dbraw/zinc/98/88/70/531988870.db2.gz AXZUPDKLJNTJDL-OAHLLOKOSA-N 1 0 385.599 1.818 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419949364 531989168 /nfs/dbraw/zinc/98/91/68/531989168.db2.gz FZBJDGGVZYRNMV-LBPRGKRZSA-N 1 0 386.290 1.387 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000419953479 531989316 /nfs/dbraw/zinc/98/93/16/531989316.db2.gz PNHKOVCWOOHZBB-FZMZJTMJSA-N 1 0 383.290 1.479 20 0 GDADRO C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000574573486 531995553 /nfs/dbraw/zinc/99/55/53/531995553.db2.gz QWJCBLQNTZWVDZ-HBNTYKKESA-N 1 0 394.269 1.642 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000420013416 531996327 /nfs/dbraw/zinc/99/63/27/531996327.db2.gz JBMDGGGSUCZZCE-CJNGLKHVSA-N 1 0 394.313 1.968 20 0 GDADRO COCCN(Cc1sccc1Br)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420005184 531996423 /nfs/dbraw/zinc/99/64/23/531996423.db2.gz PAVYHOMMBDJVLT-JTQLQIEISA-N 1 0 392.319 1.339 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631064824 531997013 /nfs/dbraw/zinc/99/70/13/531997013.db2.gz SWBKKSANMMPMCG-UHFFFAOYSA-N 1 0 379.448 1.458 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000420031728 531997255 /nfs/dbraw/zinc/99/72/55/531997255.db2.gz SJXAGRLVXWQATB-GXFFZTMASA-N 1 0 375.416 1.785 20 0 GDADRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000420030526 531997274 /nfs/dbraw/zinc/99/72/74/531997274.db2.gz KGGCUZWQSHSWJL-LSDHHAIUSA-N 1 0 380.286 1.966 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000420021041 531997960 /nfs/dbraw/zinc/99/79/60/531997960.db2.gz GVDVEUHGUFLAJI-LBPRGKRZSA-N 1 0 382.302 1.793 20 0 GDADRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCC1CCCC1 ZINC000574594710 531997958 /nfs/dbraw/zinc/99/79/58/531997958.db2.gz FCNMZEREUYNIGG-UHFFFAOYSA-N 1 0 388.555 1.881 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000284845054 531999376 /nfs/dbraw/zinc/99/93/76/531999376.db2.gz NZROCDPGNHHPMM-NORZTCDRSA-N 1 0 395.305 1.719 20 0 GDADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420053702 531999950 /nfs/dbraw/zinc/99/99/50/531999950.db2.gz JLDQBUUVIYRWOT-UHFFFAOYSA-N 1 0 376.682 1.914 20 0 GDADRO CN(CCOc1ccc(Br)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420047538 531998740 /nfs/dbraw/zinc/99/87/40/531998740.db2.gz WEWXIOKBGFDOHJ-AWEZNQCLSA-N 1 0 384.274 1.140 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000420101050 532002283 /nfs/dbraw/zinc/00/22/83/532002283.db2.gz LHGMKZDPLCLEOP-IUODEOHRSA-N 1 0 398.301 1.401 20 0 GDADRO COCCN(CC[NH+](C)C)C(=O)NCc1nc(C)c(Br)s1 ZINC000458919003 532001102 /nfs/dbraw/zinc/00/11/02/532001102.db2.gz DPYNDBRJMMPKKC-UHFFFAOYSA-N 1 0 379.324 1.934 20 0 GDADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420082629 532001349 /nfs/dbraw/zinc/00/13/49/532001349.db2.gz VDEXNIOOVHKJOY-ZDUSSCGKSA-N 1 0 398.301 1.975 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCc2ccc(Br)cc2)CC[NH2+]1 ZINC000420133545 532003889 /nfs/dbraw/zinc/00/38/89/532003889.db2.gz TXIMTIRHSWLHKW-WFASDCNBSA-N 1 0 382.302 1.707 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000420132953 532004766 /nfs/dbraw/zinc/00/47/66/532004766.db2.gz SUDHFJDWLNIECH-ZWNOBZJWSA-N 1 0 386.265 1.803 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c1F ZINC000599098174 532004897 /nfs/dbraw/zinc/00/48/97/532004897.db2.gz PYKVDZGKKPZCFU-CYBMUJFWSA-N 1 0 376.425 1.937 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420103248 532002917 /nfs/dbraw/zinc/00/29/17/532002917.db2.gz PCLZLDFZQXWRSB-BXUZGUMPSA-N 1 0 398.301 1.530 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458949918 532003057 /nfs/dbraw/zinc/00/30/57/532003057.db2.gz CQZRQHBWCNWIGJ-AWEZNQCLSA-N 1 0 376.548 1.149 20 0 GDADRO Cc1c(Br)cncc1C[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000657387656 532005737 /nfs/dbraw/zinc/00/57/37/532005737.db2.gz SFPUDRKDGSXQPB-MLGOLLRUSA-N 1 0 381.274 1.963 20 0 GDADRO COc1cc(I)c(C(=O)NC[C@H](C)[NH+](C)C)cc1OC ZINC000299599864 532006279 /nfs/dbraw/zinc/00/62/79/532006279.db2.gz HBXGTSNBSGTXOJ-VIFPVBQESA-N 1 0 392.237 1.988 20 0 GDADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)C(=O)NC[C@H](C)[NH2+]C ZINC000420147267 532006498 /nfs/dbraw/zinc/00/64/98/532006498.db2.gz RSQNRHDZHHIEGF-WCQYABFASA-N 1 0 382.302 1.837 20 0 GDADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000599100504 532005273 /nfs/dbraw/zinc/00/52/73/532005273.db2.gz IEKMEWQACQDTTK-DGCLKSJQSA-N 1 0 380.388 1.621 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420204209 532009521 /nfs/dbraw/zinc/00/95/21/532009521.db2.gz OOQWCVSLBUANHM-IUODEOHRSA-N 1 0 382.302 1.960 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420204208 532009578 /nfs/dbraw/zinc/00/95/78/532009578.db2.gz OOQWCVSLBUANHM-DOMZBBRYSA-N 1 0 382.302 1.960 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000284948642 532010579 /nfs/dbraw/zinc/01/05/79/532010579.db2.gz VUORMNHQLURIBL-JVLSTEMRSA-N 1 0 381.278 1.329 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cccc(O)c2Br)CC1 ZINC000459334049 532013157 /nfs/dbraw/zinc/01/31/57/532013157.db2.gz CWGAPILGTGBFOA-CQSZACIVSA-N 1 0 382.302 1.893 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c1OC ZINC000575322401 532012207 /nfs/dbraw/zinc/01/22/07/532012207.db2.gz FHUCMWFMXYBKPC-UHFFFAOYSA-N 1 0 389.905 1.458 20 0 GDADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)CC1 ZINC000599217732 532014429 /nfs/dbraw/zinc/01/44/29/532014429.db2.gz HVXGXOLXAHBFQO-UHFFFAOYSA-N 1 0 376.425 1.762 20 0 GDADRO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000420447505 532014533 /nfs/dbraw/zinc/01/45/33/532014533.db2.gz CSIZNIFHAITJDF-WCQYABFASA-N 1 0 384.889 1.940 20 0 GDADRO CN(C)c1ccc(Br)c(S(=O)(=O)NCCC[NH2+]C2CC2)c1 ZINC000420451955 532015586 /nfs/dbraw/zinc/01/55/86/532015586.db2.gz ROYLXBRKEVYQSA-UHFFFAOYSA-N 1 0 376.320 1.936 20 0 GDADRO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420447859 532013971 /nfs/dbraw/zinc/01/39/71/532013971.db2.gz KFNJOLYWNDHPSF-NSHDSACASA-N 1 0 380.388 1.912 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000632167315 532016104 /nfs/dbraw/zinc/01/61/04/532016104.db2.gz LAJDDAGNVGKADB-HNNXBMFYSA-N 1 0 391.331 1.888 20 0 GDADRO CCc1cccc(OC[C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000575917045 532017125 /nfs/dbraw/zinc/01/71/25/532017125.db2.gz GRRAUPNVDPRQBM-HNNXBMFYSA-N 1 0 384.523 1.618 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c1OC ZINC000420455692 532017197 /nfs/dbraw/zinc/01/71/97/532017197.db2.gz GJRDUNAHZJJDRW-ZDUSSCGKSA-N 1 0 390.889 1.802 20 0 GDADRO COc1cc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000420459410 532017409 /nfs/dbraw/zinc/01/74/09/532017409.db2.gz QZFDMNAVMDIYGO-ZJUUUORDSA-N 1 0 393.303 1.872 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000371518257 532018910 /nfs/dbraw/zinc/01/89/10/532018910.db2.gz WDFCIJCRMYSFPB-AWEZNQCLSA-N 1 0 385.917 1.705 20 0 GDADRO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)s1 ZINC000420455499 532017999 /nfs/dbraw/zinc/01/79/99/532017999.db2.gz FWIYEYPTBKULCZ-LBPRGKRZSA-N 1 0 397.513 1.714 20 0 GDADRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000420470627 532020190 /nfs/dbraw/zinc/02/01/90/532020190.db2.gz XJGMFMCOSABYMT-CQSZACIVSA-N 1 0 376.404 1.986 20 0 GDADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC000576272105 532020100 /nfs/dbraw/zinc/02/01/00/532020100.db2.gz QXLFVTDGHMPHSW-MBNYWOFBSA-N 1 0 378.300 1.827 20 0 GDADRO C[NH2+]CCCN(C)S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000420467080 532020785 /nfs/dbraw/zinc/02/07/85/532020785.db2.gz BYHAVTZPZNBOEE-UHFFFAOYSA-N 1 0 377.264 1.261 20 0 GDADRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(Br)c(OC)cc1OC ZINC000420468707 532020945 /nfs/dbraw/zinc/02/09/45/532020945.db2.gz HDPBJYUVEZMYBY-UHFFFAOYSA-N 1 0 381.292 1.696 20 0 GDADRO NC(=O)Cn1cc(C[NH2+]CCc2c[nH]c3cccc(Br)c23)nn1 ZINC000459559151 532021512 /nfs/dbraw/zinc/02/15/12/532021512.db2.gz HTKFQSFACMDDBU-UHFFFAOYSA-N 1 0 377.246 1.340 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000420482108 532021788 /nfs/dbraw/zinc/02/17/88/532021788.db2.gz SJNBMTDAYQHHIY-NEPJUHHUSA-N 1 0 393.506 1.193 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncnc3c2c(Br)nn3C)C1 ZINC000301158931 532027146 /nfs/dbraw/zinc/02/71/46/532027146.db2.gz OGBXNIUYGGGWPM-LLVKDONJSA-N 1 0 383.294 1.895 20 0 GDADRO CC(C)(O)C(C)(C)[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000271604074 532029706 /nfs/dbraw/zinc/02/97/06/532029706.db2.gz IYDCCRILHYYPIP-UHFFFAOYSA-N 1 0 386.290 1.643 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)NCC2([NH+](C)C)CC2)cc1Br ZINC000632488565 532033939 /nfs/dbraw/zinc/03/39/39/532033939.db2.gz BQXQDURWDDVARX-UHFFFAOYSA-N 1 0 390.303 1.780 20 0 GDADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000459930502 532034661 /nfs/dbraw/zinc/03/46/61/532034661.db2.gz UPVNCPSCIQZDOD-UHFFFAOYSA-N 1 0 382.302 1.962 20 0 GDADRO CO[C@@H](CC(C)C)CS(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420675548 532036489 /nfs/dbraw/zinc/03/64/89/532036489.db2.gz OSGMJLKVCOATFT-SFHVURJKSA-N 1 0 376.563 1.954 20 0 GDADRO C[NH+]1CCC(NC(=O)C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000285166859 532040590 /nfs/dbraw/zinc/04/05/90/532040590.db2.gz ZTHHJXZUQOTWFD-UHFFFAOYSA-N 1 0 388.295 1.525 20 0 GDADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000460211424 532040941 /nfs/dbraw/zinc/04/09/41/532040941.db2.gz 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C[NH+](C)CCOCCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000312915271 532054284 /nfs/dbraw/zinc/05/42/84/532054284.db2.gz VLUOKIKUBIJJAT-UHFFFAOYSA-N 1 0 385.711 1.959 20 0 GDADRO Cc1cc(I)ccc1NC(=O)CN(C)CCOCC[NH3+] ZINC000600735480 532053480 /nfs/dbraw/zinc/05/34/80/532053480.db2.gz UYFRZXSFYBIKMS-UHFFFAOYSA-N 1 0 391.253 1.445 20 0 GDADRO Ic1ccccc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000600970899 532055979 /nfs/dbraw/zinc/05/59/79/532055979.db2.gz OPRAJMPPDAZQMG-UHFFFAOYSA-N 1 0 397.264 1.379 20 0 GDADRO O=C1CNC(=O)N1CCC[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634704491 532055915 /nfs/dbraw/zinc/05/59/15/532055915.db2.gz LNVULIPDPBZAIV-GFCCVEGCSA-N 1 0 376.240 1.265 20 0 GDADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000578704178 532054697 /nfs/dbraw/zinc/05/46/97/532054697.db2.gz SZFMRFLSUOVNEP-GHMZBOCLSA-N 1 0 394.324 1.823 20 0 GDADRO CNC(=O)CN1CCC([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634699792 532055039 /nfs/dbraw/zinc/05/50/39/532055039.db2.gz PECKZIRMHSJXOC-OAHLLOKOSA-N 1 0 390.311 1.533 20 0 GDADRO C[C@](O)(C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000634709156 532055763 /nfs/dbraw/zinc/05/57/63/532055763.db2.gz FHLULVQVAKJYKU-FZMZJTMJSA-N 1 0 382.935 1.181 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634980425 532057551 /nfs/dbraw/zinc/05/75/51/532057551.db2.gz DWWKIOCPZIWHPP-AWEZNQCLSA-N 1 0 394.946 1.484 20 0 GDADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634958927 532057609 /nfs/dbraw/zinc/05/76/09/532057609.db2.gz CPEZSYVJKADYNX-KRWDZBQOSA-N 1 0 388.555 1.571 20 0 GDADRO C[C@@](O)(C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000634713093 532056316 /nfs/dbraw/zinc/05/63/16/532056316.db2.gz QEPUTAROIBMZLT-XJKSGUPXSA-N 1 0 394.896 1.259 20 0 GDADRO OC[C@H](CN1CCOCC1)[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634720144 532056583 /nfs/dbraw/zinc/05/65/83/532056583.db2.gz FZMWWQFPKPCPNJ-GJZGRUSLSA-N 1 0 379.284 1.016 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCCSCc2ccccc2F)CC1 ZINC000601292060 532058652 /nfs/dbraw/zinc/05/86/52/532058652.db2.gz QMRORMCXXKPSCL-UHFFFAOYSA-N 1 0 389.562 1.616 20 0 GDADRO Cc1ccc(CSCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1 ZINC000601291065 532059581 /nfs/dbraw/zinc/05/95/81/532059581.db2.gz FNKPBOKFUYMJGS-UHFFFAOYSA-N 1 0 385.599 1.785 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)NCC2CC[NH2+]CC2)cc1OC ZINC000314789718 532058944 /nfs/dbraw/zinc/05/89/44/532058944.db2.gz JWHRCHNRYTVDHN-UHFFFAOYSA-N 1 0 393.303 1.744 20 0 GDADRO COc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1Br ZINC000373056518 532061278 /nfs/dbraw/zinc/06/12/78/532061278.db2.gz LULDEIGXCXZERB-MFKMUULPSA-N 1 0 375.288 1.830 20 0 GDADRO CN1CC[NH+](CC2(C)CCN(S(=O)(=O)CCc3cccs3)CC2)CC1 ZINC000373046147 532060842 /nfs/dbraw/zinc/06/08/42/532060842.db2.gz MKWZAQWZQLFIBZ-UHFFFAOYSA-N 1 0 385.599 1.970 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1Cl ZINC000373057401 532061698 /nfs/dbraw/zinc/06/16/98/532061698.db2.gz ONGRIYHLZUYNKD-HZMBPMFUSA-N 1 0 375.853 1.810 20 0 GDADRO CN(CCC[NH+]1CCCC1)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000467679577 532062069 /nfs/dbraw/zinc/06/20/69/532062069.db2.gz ZNXZDCFHYBQCHK-UHFFFAOYSA-N 1 0 379.935 1.624 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1Cl ZINC000373057406 532062438 /nfs/dbraw/zinc/06/24/38/532062438.db2.gz ONGRIYHLZUYNKD-YGRLFVJLSA-N 1 0 375.853 1.810 20 0 GDADRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000579709818 532064738 /nfs/dbraw/zinc/06/47/38/532064738.db2.gz JHRSXZCJDLCLFH-LLVKDONJSA-N 1 0 399.332 1.114 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000320477446 532066251 /nfs/dbraw/zinc/06/62/51/532066251.db2.gz GLNNTJYNIUMJHX-DTWKUNHWSA-N 1 0 381.292 1.870 20 0 GDADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422882581 532069252 /nfs/dbraw/zinc/06/92/52/532069252.db2.gz SQFSFWBQSBJGBB-XJKSGUPXSA-N 1 0 384.318 1.926 20 0 GDADRO Cc1cc(I)ccc1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000422909682 532069983 /nfs/dbraw/zinc/06/99/83/532069983.db2.gz ORLUAJGZYWAUMA-UHFFFAOYSA-N 1 0 385.209 1.792 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000468549339 532068394 /nfs/dbraw/zinc/06/83/94/532068394.db2.gz UWYYIXBRVGAMSM-CQSZACIVSA-N 1 0 382.302 1.818 20 0 GDADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1nn(C)cc1I ZINC000602269443 532073437 /nfs/dbraw/zinc/07/34/37/532073437.db2.gz VJSYFAQTCFLHQT-ONGXEEELSA-N 1 0 376.242 1.437 20 0 GDADRO CC[N@@H+]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000285352496 532072221 /nfs/dbraw/zinc/07/22/21/532072221.db2.gz ABVVNPXJKVTZRB-CYBMUJFWSA-N 1 0 397.317 1.530 20 0 GDADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423465049 532075657 /nfs/dbraw/zinc/07/56/57/532075657.db2.gz BYYKJYGZSBSTOE-RYUDHWBXSA-N 1 0 380.286 1.702 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)CC[C@H]1[NH3+] ZINC000423228971 532074510 /nfs/dbraw/zinc/07/45/10/532074510.db2.gz GDKCMXKIONZKFW-IAQYHMDHSA-N 1 0 380.286 1.530 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)CCc2cccc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000423647999 532077752 /nfs/dbraw/zinc/07/77/52/532077752.db2.gz IKPDPYUJZUIVFV-STQMWFEESA-N 1 0 382.302 1.659 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)N(C)CCc2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000423637088 532078502 /nfs/dbraw/zinc/07/85/02/532078502.db2.gz SWLBTFCKNOIWBP-STQMWFEESA-N 1 0 382.302 1.659 20 0 GDADRO CNC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1OC ZINC000581428880 532080454 /nfs/dbraw/zinc/08/04/54/532080454.db2.gz JBYCVZCWLMNNBP-MNOVXSKESA-N 1 0 389.905 1.375 20 0 GDADRO C[S@@](=O)C1(C(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)CC[NH2+]CC1 ZINC000602516575 532078760 /nfs/dbraw/zinc/07/87/60/532078760.db2.gz NRXUXJHBPACYKS-DLUDVSRJSA-N 1 0 388.892 1.880 20 0 GDADRO C[C@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000423733292 532080650 /nfs/dbraw/zinc/08/06/50/532080650.db2.gz BTGIWLCHZSALSH-FOGDFJRCSA-N 1 0 394.269 1.677 20 0 GDADRO COC(=O)[C@@]1(NC(=O)CCC2C[NH2+]C2)CCc2cc(Br)ccc2C1 ZINC000602543401 532080148 /nfs/dbraw/zinc/08/01/48/532080148.db2.gz HUJOAJAHKSZSGJ-GOSISDBHSA-N 1 0 395.297 1.965 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cccc(Br)c2)[C@H]1C[NH3+] ZINC000423736972 532080765 /nfs/dbraw/zinc/08/07/65/532080765.db2.gz PSQLFRARQWMCDD-DOMZBBRYSA-N 1 0 382.302 1.993 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000423735749 532081223 /nfs/dbraw/zinc/08/12/23/532081223.db2.gz SBOPMWZRXFGYKN-ABAIWWIYSA-N 1 0 396.285 1.236 20 0 GDADRO Cc1sc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1CS(C)(=O)=O ZINC000470099654 532082109 /nfs/dbraw/zinc/08/21/09/532082109.db2.gz GLGGSINMICOQJZ-ZDUSSCGKSA-N 1 0 388.555 1.832 20 0 GDADRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000470023860 532082189 /nfs/dbraw/zinc/08/21/89/532082189.db2.gz GIDFHTBMFYBMRZ-ZDUSSCGKSA-N 1 0 398.301 1.507 20 0 GDADRO CC1CC[NH+](CCCNC(=O)c2nn(C)cc2I)CC1 ZINC000602767742 532084200 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COc1cc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c(Br)cc1O ZINC000285510481 532090699 /nfs/dbraw/zinc/09/06/99/532090699.db2.gz OAPZJAVUPKMNBL-UHFFFAOYSA-N 1 0 398.257 1.774 20 0 GDADRO Cn1cc([C@@H]2CN(S(=O)(=O)Cc3cccc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000424396567 532091191 /nfs/dbraw/zinc/09/11/91/532091191.db2.gz XZFALIYQRQGJFE-LSDHHAIUSA-N 1 0 399.314 1.439 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000272337846 532092830 /nfs/dbraw/zinc/09/28/30/532092830.db2.gz WNFWSRDJSMZICY-UONOGXRCSA-N 1 0 385.555 1.661 20 0 GDADRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000424441832 532094078 /nfs/dbraw/zinc/09/40/78/532094078.db2.gz BFVLJPZTUWZCCM-SMDDNHRTSA-N 1 0 382.251 1.619 20 0 GDADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCOCC(F)F)CC2)cc1 ZINC000373755456 532096328 /nfs/dbraw/zinc/09/63/28/532096328.db2.gz XYWISISRMIVJKT-UHFFFAOYSA-N 1 0 378.441 1.720 20 0 GDADRO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000285590744 532096794 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GDADRO COC(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c1Br ZINC000426095359 532161921 /nfs/dbraw/zinc/16/19/21/532161921.db2.gz CIGPHAGFXMNFJC-VIFPVBQESA-N 1 0 386.246 1.241 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC[NH2+]1 ZINC000332075763 532162410 /nfs/dbraw/zinc/16/24/10/532162410.db2.gz YKTFJTGQZUWUQN-NEPJUHHUSA-N 1 0 398.305 1.943 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000332081820 532163096 /nfs/dbraw/zinc/16/30/96/532163096.db2.gz MZUCIHNDGLXRKR-HOTGVXAUSA-N 1 0 383.539 1.710 20 0 GDADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000273686765 532164922 /nfs/dbraw/zinc/16/49/22/532164922.db2.gz LBRCYDZZGRCLIJ-CABCVRRESA-N 1 0 386.543 1.412 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(Br)cc3)CC2)C1=O ZINC000332316872 532179848 /nfs/dbraw/zinc/17/98/48/532179848.db2.gz PJUACLPYARBOPJ-HNNXBMFYSA-N 1 0 380.286 1.874 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375769708 532183019 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ZINC000274463425 532212042 /nfs/dbraw/zinc/21/20/42/532212042.db2.gz VSYIJAFPILECPX-IJLUTSLNSA-N 1 0 389.905 1.215 20 0 GDADRO O=C(c1cc(Br)ccc1F)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428621512 532213700 /nfs/dbraw/zinc/21/37/00/532213700.db2.gz JRLQPULTOCXAQY-GFCCVEGCSA-N 1 0 398.276 1.872 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000274511230 532215440 /nfs/dbraw/zinc/21/54/40/532215440.db2.gz QUPYABOTOBDUGN-HUUCEWRRSA-N 1 0 385.555 1.890 20 0 GDADRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000287474352 532216964 /nfs/dbraw/zinc/21/69/64/532216964.db2.gz SOVGLWNKQPUOIA-UHFFFAOYSA-N 1 0 387.571 1.788 20 0 GDADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000274552779 532217532 /nfs/dbraw/zinc/21/75/32/532217532.db2.gz DTLFQLLAYSXTFE-SNVBAGLBSA-N 1 0 389.681 1.989 20 0 GDADRO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000429463910 532229035 /nfs/dbraw/zinc/22/90/35/532229035.db2.gz HZHFUGDKHZVFBJ-GXTWGEPZSA-N 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384.221 1.667 20 0 GDADRO O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377806368 532275111 /nfs/dbraw/zinc/27/51/11/532275111.db2.gz FBYIVQWJIAHRLT-QWHCGFSZSA-N 1 0 383.436 1.052 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc1Br ZINC000288252386 532276310 /nfs/dbraw/zinc/27/63/10/532276310.db2.gz SWYYOPNRLZRHOJ-VIFPVBQESA-N 1 0 388.262 1.471 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(Br)cn1 ZINC000288260179 532276441 /nfs/dbraw/zinc/27/64/41/532276441.db2.gz CJAIMOWTLYWHAR-UHFFFAOYSA-N 1 0 379.324 1.006 20 0 GDADRO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000378220937 532283675 /nfs/dbraw/zinc/28/36/75/532283675.db2.gz CZMCKLZUZAFXFH-YOEHRIQHSA-N 1 0 386.539 1.633 20 0 GDADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000378311527 532284321 /nfs/dbraw/zinc/28/43/21/532284321.db2.gz QPVPKSPRILMUHH-JKSUJKDBSA-N 1 0 390.281 1.825 20 0 GDADRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3CCCC[C@@H]32)cc[nH+]1 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1 0 387.322 1.070 20 0 GDADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000288763251 532307190 /nfs/dbraw/zinc/30/71/90/532307190.db2.gz OMRWWJZRUQLGED-GFCCVEGCSA-N 1 0 386.246 1.093 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000289062091 532314340 /nfs/dbraw/zinc/31/43/40/532314340.db2.gz GJAYSONPCCSWEE-LBPRGKRZSA-N 1 0 394.946 1.706 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000275931578 532314950 /nfs/dbraw/zinc/31/49/50/532314950.db2.gz VXECUPAHJNUDMH-UHFFFAOYSA-N 1 0 390.253 1.577 20 0 GDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000275945283 532315420 /nfs/dbraw/zinc/31/54/20/532315420.db2.gz YKHWOBXRXPKNRY-UHFFFAOYSA-N 1 0 392.681 1.783 20 0 GDADRO COC(=O)c1scc(C)c1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000275957994 532315798 /nfs/dbraw/zinc/31/57/98/532315798.db2.gz AZFRDSUPULGHQI-ZDUSSCGKSA-N 1 0 390.527 1.358 20 0 GDADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000275955661 532315802 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NC(=O)C1=NO[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000289944037 532334527 /nfs/dbraw/zinc/33/45/27/532334527.db2.gz BGOYDOPPRGLCNA-SNVBAGLBSA-N 1 0 391.063 1.931 20 0 GDADRO CCOc1ccccc1OCC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000359942930 212126113 /nfs/dbraw/zinc/12/61/13/212126113.db2.gz WKQLAXRJLKVQCY-INIZCTEOSA-N 1 0 375.469 1.405 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CCC3(CC2)OCCO3)CC1=O ZINC000359928570 212124799 /nfs/dbraw/zinc/12/47/99/212124799.db2.gz VJJQNLWPVKGHRV-NVXWUHKLSA-N 1 0 379.501 1.121 20 0 GDADRO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CCCN2C(=O)NC(C)(C)C2=O)n1C ZINC000328639011 212089725 /nfs/dbraw/zinc/08/97/25/212089725.db2.gz PILRNGWZKFCJJV-HNNXBMFYSA-N 1 0 389.500 1.837 20 0 GDADRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)C1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000076682300 222272477 /nfs/dbraw/zinc/27/24/77/222272477.db2.gz RINXFIIRKYAJTJ-LJQANCHMSA-N 1 0 376.545 1.408 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000736398548 598839856 /nfs/dbraw/zinc/83/98/56/598839856.db2.gz BGBREACIMAULGV-CQSZACIVSA-N 1 0 387.492 1.237 20 0 GDADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000737526110 598850494 /nfs/dbraw/zinc/85/04/94/598850494.db2.gz WDDSWUHZTFBBTO-UHFFFAOYSA-N 1 0 395.471 1.191 20 0 GDADRO COC(=O)CC[N@H+](Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000736912444 598853141 /nfs/dbraw/zinc/85/31/41/598853141.db2.gz BJCJXJYWPSBZJD-UHFFFAOYSA-N 1 0 384.444 1.665 20 0 GDADRO COC[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736973093 598865184 /nfs/dbraw/zinc/86/51/84/598865184.db2.gz QIQLYNZTSCULEU-LLVKDONJSA-N 1 0 376.486 1.714 20 0 GDADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000736771416 598869029 /nfs/dbraw/zinc/86/90/29/598869029.db2.gz KNKVJBTUZCUMGM-UHFFFAOYSA-N 1 0 390.444 1.546 20 0 GDADRO C[NH+](C)C1(CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC000736756486 598877999 /nfs/dbraw/zinc/87/79/99/598877999.db2.gz JNOKNRFIWKGIHQ-UHFFFAOYSA-N 1 0 376.486 1.186 20 0 GDADRO OCC[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCc2ccccc21 ZINC000738394213 598898088 /nfs/dbraw/zinc/89/80/88/598898088.db2.gz QNSCMYXZOGHNSP-XLIONFOSSA-N 1 0 395.463 1.588 20 0 GDADRO O=C(CC[NH2+]C1(CO)Cc2ccccc2C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737845959 598899841 /nfs/dbraw/zinc/89/98/41/598899841.db2.gz CNAFWDLSVBXTCO-UHFFFAOYSA-N 1 0 378.436 1.315 20 0 GDADRO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3cccc(-c4nn[nH]n4)c3)CC2)nc1 ZINC000736772006 598912661 /nfs/dbraw/zinc/91/26/61/598912661.db2.gz SSLUFCRPLPSOCM-UHFFFAOYSA-N 1 0 392.467 1.286 20 0 GDADRO COC(=O)CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCO1 ZINC000736913878 598946871 /nfs/dbraw/zinc/94/68/71/598946871.db2.gz ZJXQVNZODZVHNY-INIZCTEOSA-N 1 0 375.429 1.290 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000737033338 598980883 /nfs/dbraw/zinc/98/08/83/598980883.db2.gz UGOLUWITRDROIZ-MRXNPFEDSA-N 1 0 388.472 1.051 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000737033176 598984911 /nfs/dbraw/zinc/98/49/11/598984911.db2.gz RKZBBEDPMCAALD-CQSZACIVSA-N 1 0 399.455 1.900 20 0 GDADRO O=C(c1ccncc1F)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738289020 599042584 /nfs/dbraw/zinc/04/25/84/599042584.db2.gz HOYKCHRQHVZPES-UHFFFAOYSA-N 1 0 381.415 1.749 20 0 GDADRO C[NH+](C)CCN1CCC(Nc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736769415 599044326 /nfs/dbraw/zinc/04/43/26/599044326.db2.gz SBQXMPJSYOCJKY-UHFFFAOYSA-N 1 0 384.410 1.718 20 0 GDADRO O[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1c(F)cccc1Cl ZINC000738382014 599053728 /nfs/dbraw/zinc/05/37/28/599053728.db2.gz OSJVKRMBCYMISU-TVQRCGJNSA-N 1 0 392.826 1.221 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736267099 599076667 /nfs/dbraw/zinc/07/66/67/599076667.db2.gz LSWPDEKZSJVRKH-GPMSIDNRSA-N 1 0 397.527 1.980 20 0 GDADRO NC(=O)[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737738008 599089847 /nfs/dbraw/zinc/08/98/47/599089847.db2.gz UAXKYLJVZUKHRD-IBGZPJMESA-N 1 0 391.479 1.779 20 0 GDADRO NC(=O)[C@H](NCCNC(=O)CC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737734808 599096916 /nfs/dbraw/zinc/09/69/16/599096916.db2.gz BLMOFBXJXMWAQT-QGZVFWFLSA-N 1 0 385.472 1.069 20 0 GDADRO CC(C)(C)c1ccc([C@@H](O)C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735649982 599178583 /nfs/dbraw/zinc/17/85/83/599178583.db2.gz MVMADUIEYBYBHH-GUYCJALGSA-N 1 0 396.499 1.726 20 0 GDADRO O[C@H](C[NH+]1CCN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC000738380432 599205059 /nfs/dbraw/zinc/20/50/59/599205059.db2.gz GGOPKZRGWLMGRA-OAHLLOKOSA-N 1 0 385.859 1.771 20 0 GDADRO C[NH+](C)C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)CCO1 ZINC000736759899 599202770 /nfs/dbraw/zinc/20/27/70/599202770.db2.gz ZCXVCFOHAPNLKG-HNNXBMFYSA-N 1 0 392.463 1.936 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821182506 599210208 /nfs/dbraw/zinc/21/02/08/599210208.db2.gz VNHKXNAGNFDWMQ-ROUUACIJSA-N 1 0 383.500 1.778 20 0 GDADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CCO1 ZINC000736758363 599212864 /nfs/dbraw/zinc/21/28/64/599212864.db2.gz GKQNSYPGWLPCJE-CYBMUJFWSA-N 1 0 376.465 1.218 20 0 GDADRO C[C@@H](C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000735538249 599213006 /nfs/dbraw/zinc/21/30/06/599213006.db2.gz YOGFUAIGXQVGQB-HNNXBMFYSA-N 1 0 380.452 1.882 20 0 GDADRO Cc1c(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cccc1-c1nn[nH]n1 ZINC000822043197 607273891 /nfs/dbraw/zinc/27/38/91/607273891.db2.gz CCOULJLJFBODGE-AWEZNQCLSA-N 1 0 383.456 1.200 20 0 GDADRO Cc1c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cccc1-c1nn[nH]n1 ZINC000822052168 607274409 /nfs/dbraw/zinc/27/44/09/607274409.db2.gz ABYURFFUBZDNQT-ZDUSSCGKSA-N 1 0 385.472 1.350 20 0 GDADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000736184270 599248499 /nfs/dbraw/zinc/24/84/99/599248499.db2.gz XJYVTGNCKDLROM-HOTGVXAUSA-N 1 0 384.484 1.968 20 0 GDADRO CC(C)(O)C[NH+]1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000735679007 599250024 /nfs/dbraw/zinc/25/00/24/599250024.db2.gz CJBPMRRGLTWVHI-UHFFFAOYSA-N 1 0 382.472 1.076 20 0 GDADRO CC(C)C1CC[NH+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000735748560 599250304 /nfs/dbraw/zinc/25/03/04/599250304.db2.gz KUSAYNOGNAWTMH-UHFFFAOYSA-N 1 0 397.483 1.956 20 0 GDADRO c1cn(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738407029 599252469 /nfs/dbraw/zinc/25/24/69/599252469.db2.gz WIZZRSXPESMTLF-INIZCTEOSA-N 1 0 394.483 1.342 20 0 GDADRO COc1ccc(CNc2cc(C(N)=O)ccc2C[NH+](C)C)cc1-c1nn[nH]n1 ZINC000821821291 607317825 /nfs/dbraw/zinc/31/78/25/607317825.db2.gz DPMMSVPKXRCDBW-UHFFFAOYSA-N 1 0 381.440 1.648 20 0 GDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820876541 607319873 /nfs/dbraw/zinc/31/98/73/607319873.db2.gz QZORNSOXHFOTCF-CQSZACIVSA-N 1 0 387.488 1.822 20 0 GDADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736295539 599288911 /nfs/dbraw/zinc/28/89/11/599288911.db2.gz VHVIAFQGGCHVBA-XJKSGUPXSA-N 1 0 380.456 1.975 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H]1CCOC3(CCSCC3)C1)C2 ZINC000823820656 607334854 /nfs/dbraw/zinc/33/48/54/607334854.db2.gz IYDOEUNVXRAXIU-CHWSQXEVSA-N 1 0 390.517 1.139 20 0 GDADRO CC(C)[C@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000735748130 598232419 /nfs/dbraw/zinc/23/24/19/598232419.db2.gz IEQYCZJNVWJXBQ-DNVCBOLYSA-N 1 0 383.456 1.712 20 0 GDADRO CCCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736412443 598257307 /nfs/dbraw/zinc/25/73/07/598257307.db2.gz PBRFXNBKBQVFJR-MRXNPFEDSA-N 1 0 385.472 1.576 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738051540 598264483 /nfs/dbraw/zinc/26/44/83/598264483.db2.gz OMTADJUTAFNDTI-VXGBXAGGSA-N 1 0 377.836 1.505 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738051202 598271910 /nfs/dbraw/zinc/27/19/10/598271910.db2.gz KWDVOWPJLLTXQN-QZTJIDSGSA-N 1 0 397.483 1.404 20 0 GDADRO C[C@@H](C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000736237080 598285093 /nfs/dbraw/zinc/28/50/93/598285093.db2.gz OPLNOZIIFBAGBK-KFWWJZLASA-N 1 0 384.488 1.172 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2C)CC1=O ZINC000736569420 598332921 /nfs/dbraw/zinc/33/29/21/598332921.db2.gz IFXMODWOTCVTSU-HOTGVXAUSA-N 1 0 397.483 1.446 20 0 GDADRO COc1cc2c(nn1)CC[N@H+](CCC(=O)Nc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000737055471 598341649 /nfs/dbraw/zinc/34/16/49/598341649.db2.gz NVPQLNVHESHXIJ-UHFFFAOYSA-N 1 0 380.412 1.052 20 0 GDADRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1CCOC ZINC000736412587 598345471 /nfs/dbraw/zinc/34/54/71/598345471.db2.gz WCGNFCQFMMUMFQ-WMLDXEAASA-N 1 0 387.488 1.236 20 0 GDADRO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736593797 598354054 /nfs/dbraw/zinc/35/40/54/598354054.db2.gz KEWJFVZIEWCHQD-UHFFFAOYSA-N 1 0 386.456 1.100 20 0 GDADRO CN(C)c1cc2c(nn1)CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)C2 ZINC000736773086 598364507 /nfs/dbraw/zinc/36/45/07/598364507.db2.gz KGPNJDNRMDTMPS-UHFFFAOYSA-N 1 0 393.455 1.110 20 0 GDADRO COC(=O)[C@@H](C)C[N@H+](Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1)C1CC1 ZINC000736893578 598367535 /nfs/dbraw/zinc/36/75/35/598367535.db2.gz RCEXYRZTBBCMMC-ZDUSSCGKSA-N 1 0 381.440 1.961 20 0 GDADRO O[C@@H](C[NH2+]C[C@@H]1COc2ccccc2C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738380302 598373440 /nfs/dbraw/zinc/37/34/40/598373440.db2.gz FQEGZCRXQFEHOH-PBHICJAKSA-N 1 0 381.436 1.447 20 0 GDADRO COc1ccc([C@H](CNC(=O)c2ccc(-c3nn[nH]n3)cn2)[NH+]2CCCC2)cc1 ZINC000737076432 598436938 /nfs/dbraw/zinc/43/69/38/598436938.db2.gz QYAQRVDOCJNUGL-SFHVURJKSA-N 1 0 393.451 1.837 20 0 GDADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738067021 598459730 /nfs/dbraw/zinc/45/97/30/598459730.db2.gz YJNGEFYJSYDERH-UHFFFAOYSA-N 1 0 392.467 1.204 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[nH]n2)C1 ZINC000737009309 598466365 /nfs/dbraw/zinc/46/63/65/598466365.db2.gz ZJVZCKCPEVHIPK-CYBMUJFWSA-N 1 0 385.428 1.009 20 0 GDADRO O=C1[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738291313 598471117 /nfs/dbraw/zinc/47/11/17/598471117.db2.gz UFDVRIXLRRCIEH-ZWKOTPCHSA-N 1 0 381.484 1.532 20 0 GDADRO O=C([C@@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)N1CCOCC1 ZINC000737791873 598475773 /nfs/dbraw/zinc/47/57/73/598475773.db2.gz MFGBQDDEJIQVFT-KRWDZBQOSA-N 1 0 395.467 1.333 20 0 GDADRO O=C(NCCNc1ncccc1-c1nn[nH]n1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738077170 598484122 /nfs/dbraw/zinc/48/41/22/598484122.db2.gz ATCLTZDGZINDET-HNNXBMFYSA-N 1 0 399.503 1.334 20 0 GDADRO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nccnc1-c1nn[nH]n1 ZINC000736792562 598487231 /nfs/dbraw/zinc/48/72/31/598487231.db2.gz SDZCAEULNYNAMG-KRWDZBQOSA-N 1 0 394.483 1.539 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccc(-c4nn[nH]n4)cn3)c2)C1 ZINC000737744490 598502636 /nfs/dbraw/zinc/50/26/36/598502636.db2.gz 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384.274 1.520 20 0 GDADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000824045656 607748399 /nfs/dbraw/zinc/74/83/99/607748399.db2.gz ODSCBQSTZVOFDP-KBPBESRZSA-N 1 0 381.444 1.197 20 0 GDADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000824045128 607748522 /nfs/dbraw/zinc/74/85/22/607748522.db2.gz GZAOZQPIYUTDIX-KBPBESRZSA-N 1 0 381.444 1.197 20 0 GDADRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824697471 607755884 /nfs/dbraw/zinc/75/58/84/607755884.db2.gz CXVSJADZRYRQHH-VXGBXAGGSA-N 1 0 390.513 1.981 20 0 GDADRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000821266672 606145936 /nfs/dbraw/zinc/14/59/36/606145936.db2.gz GCVKXJBFYGVRCJ-GFCCVEGCSA-N 1 0 384.893 1.625 20 0 GDADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 ZINC000820570300 606163747 /nfs/dbraw/zinc/16/37/47/606163747.db2.gz GQHNWOZARPCXST-ZDUSSCGKSA-N 1 0 395.471 1.947 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1)c1ccsc1 ZINC000821180814 606165167 /nfs/dbraw/zinc/16/51/67/606165167.db2.gz HNNXXSLPXXOPAE-CYBMUJFWSA-N 1 0 389.489 1.866 20 0 GDADRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000820076178 606201625 /nfs/dbraw/zinc/20/16/25/606201625.db2.gz FJCIOQDKELNWJQ-UHFFFAOYSA-N 1 0 393.517 1.298 20 0 GDADRO OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823714631 606222221 /nfs/dbraw/zinc/22/22/21/606222221.db2.gz NSHUIKADSLVCFM-WMZOPIPTSA-N 1 0 384.509 1.901 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820760040 606261124 /nfs/dbraw/zinc/26/11/24/606261124.db2.gz PBRGJLUXKONXRJ-RHSMWYFYSA-N 1 0 379.468 1.846 20 0 GDADRO CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)CCN1CC[NH+](CC)CC1 ZINC000821118785 606282484 /nfs/dbraw/zinc/28/24/84/606282484.db2.gz QYCSFQUYHDNTSI-UHFFFAOYSA-N 1 0 386.504 1.655 20 0 GDADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1sccc1-c1nn[nH]n1 ZINC000823261498 606287909 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SMJWYLACMXFBEH-CVEARBPZSA-N 1 0 380.456 1.975 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000822267298 606413299 /nfs/dbraw/zinc/41/32/99/606413299.db2.gz ROTUMBBUZYNOBY-UHFFFAOYSA-N 1 0 378.483 1.305 20 0 GDADRO C[C@]1(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)NC(=O)NC1=O ZINC000820628882 606414586 /nfs/dbraw/zinc/41/45/86/606414586.db2.gz PQBQJOBHNCAGGA-QGZVFWFLSA-N 1 0 383.437 1.273 20 0 GDADRO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000821688248 606452066 /nfs/dbraw/zinc/45/20/66/606452066.db2.gz DKZVSUJNZXFQSV-BETUJISGSA-N 1 0 389.504 1.848 20 0 GDADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000823791825 606456266 /nfs/dbraw/zinc/45/62/66/606456266.db2.gz JOWPFFCWCFICND-UHFFFAOYSA-N 1 0 379.468 1.964 20 0 GDADRO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820404337 606472164 /nfs/dbraw/zinc/47/21/64/606472164.db2.gz SJNGUKNQSAWQHL-GNTOHDJUSA-N 1 0 378.436 1.936 20 0 GDADRO 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C[NH+](C)C1(CNC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC000821581061 607033976 /nfs/dbraw/zinc/03/39/76/607033976.db2.gz BLWVTNTVSOKKMI-UHFFFAOYSA-N 1 0 388.472 1.251 20 0 GDADRO CC(C)[C@@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)[NH+](C)C ZINC000820017174 607047167 /nfs/dbraw/zinc/04/71/67/607047167.db2.gz UGOHFUXFYUVXCA-KRWDZBQOSA-N 1 0 387.488 1.353 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000821350739 607061060 /nfs/dbraw/zinc/06/10/60/607061060.db2.gz CGQZODPRRYVGSK-MRXNPFEDSA-N 1 0 390.488 1.497 20 0 GDADRO O[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000823706835 607152282 /nfs/dbraw/zinc/15/22/82/607152282.db2.gz PSECAHIOOLBMAF-QZTJIDSGSA-N 1 0 396.499 1.372 20 0 GDADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000823161353 607192085 /nfs/dbraw/zinc/19/20/85/607192085.db2.gz NJTCDUXWYKAQHS-OALUTQOASA-N 1 0 392.463 1.480 20 0 GDADRO O=C(N[C@H]1CC[C@H](O)CC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826450474 607808099 /nfs/dbraw/zinc/80/80/99/607808099.db2.gz NXPVRDQVZRFNOT-IYARVYRRSA-N 1 0 399.499 1.388 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C2 ZINC000826520484 607813293 /nfs/dbraw/zinc/81/32/93/607813293.db2.gz KMBJJOKIWJXJNT-RKVPGOIHSA-N 1 0 394.483 1.862 20 0 GDADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000530386376 649972384 /nfs/dbraw/zinc/97/23/84/649972384.db2.gz FSIIHHCUNRCHJU-HOTGVXAUSA-N 1 0 375.535 1.359 20 0 GDADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000530411156 649972653 /nfs/dbraw/zinc/97/26/53/649972653.db2.gz BCISOLRXHKCLGH-NSHDSACASA-N 1 0 387.889 1.140 20 0 GDADRO OCCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000826509775 607966137 /nfs/dbraw/zinc/96/61/37/607966137.db2.gz JKHAERZNJJDSBW-UHFFFAOYSA-N 1 0 391.838 1.712 20 0 GDADRO COc1ccc(CONC(=[NH2+])[C@@H]2COc3ccccc3O2)cc1-c1nn[nH]n1 ZINC000826206680 607973630 /nfs/dbraw/zinc/97/36/30/607973630.db2.gz GYXIEJGYOLGRNG-INIZCTEOSA-N 1 0 382.380 1.714 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825000630 608002181 /nfs/dbraw/zinc/00/21/81/608002181.db2.gz UENYFBLEYXBRBJ-BXUZGUMPSA-N 1 0 380.449 1.004 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCC(=O)c2ccc(C)cc2)c1-c1nn[nH]n1 ZINC000826077588 608018777 /nfs/dbraw/zinc/01/87/77/608018777.db2.gz NMIIDJCSYXLWPU-UHFFFAOYSA-N 1 0 396.455 1.652 20 0 GDADRO CCc1ccccc1OCC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825728123 608018806 /nfs/dbraw/zinc/01/88/06/608018806.db2.gz IVHGMIQNJLGCGT-UHFFFAOYSA-N 1 0 384.444 1.322 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](SC)c2ccccc2)c1-c1nn[nH]n1 ZINC000826073339 608019351 /nfs/dbraw/zinc/01/93/51/608019351.db2.gz OKAGLJIEPTVFNM-CQSZACIVSA-N 1 0 386.485 1.785 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2SCCc3ccccc32)c1-c1nn[nH]n1 ZINC000826077740 608019575 /nfs/dbraw/zinc/01/95/75/608019575.db2.gz SRUITGWHJCKUGQ-HNNXBMFYSA-N 1 0 398.496 1.711 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cccc(F)c2F)c1-c1nn[nH]n1 ZINC000826077589 608019764 /nfs/dbraw/zinc/01/97/64/608019764.db2.gz NMSHEKHTXGTOGJ-UHFFFAOYSA-N 1 0 390.398 1.591 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3ncsc3c2)c1-c1nn[nH]n1 ZINC000826083974 608020024 /nfs/dbraw/zinc/02/00/24/608020024.db2.gz SPRMZJJOHWPPCN-UHFFFAOYSA-N 1 0 383.441 1.604 20 0 GDADRO CCOc1ccc(CCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)cc1 ZINC000825638778 608020864 /nfs/dbraw/zinc/02/08/64/608020864.db2.gz OSXYMNGVIFAWRP-UHFFFAOYSA-N 1 0 398.471 1.712 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)OC2CCCCCC2)c1-c1nn[nH]n1 ZINC000826073403 608021194 /nfs/dbraw/zinc/02/11/94/608021194.db2.gz QTDAGMBGGBQADB-LBPRGKRZSA-N 1 0 390.492 1.808 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cncn2-c2ccccc2)c1-c1nn[nH]n1 ZINC000826083010 608022269 /nfs/dbraw/zinc/02/22/69/608022269.db2.gz DZHQMQXJJYCKHT-UHFFFAOYSA-N 1 0 392.427 1.180 20 0 GDADRO Cc1cncc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826319023 608033228 /nfs/dbraw/zinc/03/32/28/608033228.db2.gz LHSNWNJXHWJLSP-UHFFFAOYSA-N 1 0 394.483 1.844 20 0 GDADRO COCCO[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000826160042 608039176 /nfs/dbraw/zinc/03/91/76/608039176.db2.gz CUHANHNYDVYXLR-AWEZNQCLSA-N 1 0 375.429 1.281 20 0 GDADRO O=C(CC[N@@H+]1CCOC[C@@H]1C1CC1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000826407156 608045845 /nfs/dbraw/zinc/04/58/45/608045845.db2.gz CYMZOHCCUSDBHM-CYBMUJFWSA-N 1 0 388.497 1.856 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(-c2nn[nH]n2)cc1Br ZINC000824412659 608049975 /nfs/dbraw/zinc/04/99/75/608049975.db2.gz DAJDHFUZLFETIO-NSHDSACASA-N 1 0 380.294 1.677 20 0 GDADRO CC[NH+](CC)CCCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825412498 608061072 /nfs/dbraw/zinc/06/10/72/608061072.db2.gz QJQLWLNHMQJZOQ-QGZVFWFLSA-N 1 0 387.488 1.682 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC000824297550 608062257 /nfs/dbraw/zinc/06/22/57/608062257.db2.gz WPXKFQILBIWXCT-CRAIPNDOSA-N 1 0 399.499 1.680 20 0 GDADRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825069045 608062575 /nfs/dbraw/zinc/06/25/75/608062575.db2.gz XHJWHPBWADRGKQ-WMLDXEAASA-N 1 0 387.488 1.680 20 0 GDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC000825856350 608065553 /nfs/dbraw/zinc/06/55/53/608065553.db2.gz UELVTIWOBJOXQD-KSZLIROESA-N 1 0 399.499 1.822 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825121792 608065556 /nfs/dbraw/zinc/06/55/56/608065556.db2.gz VJZJULJDQBKRSU-ROUUACIJSA-N 1 0 399.499 1.824 20 0 GDADRO O=C(CC[NH+]1CCN(Cc2ccncc2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407719 608079558 /nfs/dbraw/zinc/07/95/58/608079558.db2.gz XRXIJEFQOSLYFH-UHFFFAOYSA-N 1 0 392.467 1.408 20 0 GDADRO COc1ccccc1OC[C@H](C)C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000826220720 608113506 /nfs/dbraw/zinc/11/35/06/608113506.db2.gz XJXGUBXLSMLGRZ-ZIAGYGMSSA-N 1 0 398.471 1.418 20 0 GDADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)C1CC1 ZINC000824109787 608113704 /nfs/dbraw/zinc/11/37/04/608113704.db2.gz VNPMZPGDIAVNPN-OAHLLOKOSA-N 1 0 398.471 1.907 20 0 GDADRO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CN1 ZINC000826479409 608170433 /nfs/dbraw/zinc/17/04/33/608170433.db2.gz XTKQISMAXDNELS-LSDHHAIUSA-N 1 0 394.439 1.407 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000826182578 608170666 /nfs/dbraw/zinc/17/06/66/608170666.db2.gz NXCOHHCZLWBUPC-QAPCUYQASA-N 1 0 385.516 1.333 20 0 GDADRO Cn1c(Sc2snc(Cl)c2-c2nn[nH]n2)nnc1C1CC[NH2+]CC1 ZINC000826356580 608184338 /nfs/dbraw/zinc/18/43/38/608184338.db2.gz XAZPSCUWEIQQEN-UHFFFAOYSA-N 1 0 383.894 1.723 20 0 GDADRO O=C(C[NH+]1CCC(Cc2cccnc2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410605 608209540 /nfs/dbraw/zinc/20/95/40/608209540.db2.gz SDQQSQJDUVCFRL-UHFFFAOYSA-N 1 0 391.479 1.833 20 0 GDADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000826389349 608209559 /nfs/dbraw/zinc/20/95/59/608209559.db2.gz VYTAQUHLDREUFN-SFHVURJKSA-N 1 0 377.452 1.743 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825965862 608253682 /nfs/dbraw/zinc/25/36/82/608253682.db2.gz GRJVCWKAPVGPED-UHFFFAOYSA-N 1 0 386.481 1.749 20 0 GDADRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C[C@H]1C ZINC000825445014 608255830 /nfs/dbraw/zinc/25/58/30/608255830.db2.gz UNRPIHQHXTXECD-MNOVXSKESA-N 1 0 377.518 1.898 20 0 GDADRO C[C@H](C(N)=O)[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC000824967722 608267590 /nfs/dbraw/zinc/26/75/90/608267590.db2.gz MTIZNUDQNMPDIA-VHSXEESVSA-N 1 0 391.501 1.187 20 0 GDADRO CCC[C@@H]1CN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1CCOC ZINC000825254814 608326883 /nfs/dbraw/zinc/32/68/83/608326883.db2.gz VBTNBIAOXDBGSX-QGZVFWFLSA-N 1 0 387.488 1.509 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824936113 608328108 /nfs/dbraw/zinc/32/81/08/608328108.db2.gz DVRCBDNNQWUEDI-GFCCVEGCSA-N 1 0 382.465 1.300 20 0 GDADRO COCCCOCC[N@H+](C)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000826156599 608330078 /nfs/dbraw/zinc/33/00/78/608330078.db2.gz LNCQGVJVBFBTPB-UHFFFAOYSA-N 1 0 385.472 1.846 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825121017 608337336 /nfs/dbraw/zinc/33/73/36/608337336.db2.gz OTMLRMAVAKQPOK-AWEZNQCLSA-N 1 0 382.465 1.300 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000826168340 608358300 /nfs/dbraw/zinc/35/83/00/608358300.db2.gz KDDVXDAIHCNDAQ-UHFFFAOYSA-N 1 0 380.456 1.766 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@@H]1CCCN(Cc2noc(C)n2)C1 ZINC000826167981 608358561 /nfs/dbraw/zinc/35/85/61/608358561.db2.gz YDSYKDHOAUAYMA-MRXNPFEDSA-N 1 0 398.471 1.663 20 0 GDADRO COc1ccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1-c1nn[nH]n1 ZINC000826201665 608362914 /nfs/dbraw/zinc/36/29/14/608362914.db2.gz APKFMAJJBWYULK-LLVKDONJSA-N 1 0 388.453 1.374 20 0 GDADRO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)C[NH+]1CCCCC1 ZINC000824435231 608370918 /nfs/dbraw/zinc/37/09/18/608370918.db2.gz NCUXZYLJIOGZND-LBPRGKRZSA-N 1 0 379.490 1.048 20 0 GDADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000826160272 608389212 /nfs/dbraw/zinc/38/92/12/608389212.db2.gz LXGKZHWIFPUXQI-JSGCOSHPSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@H](CN1CCOCC1)[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824420096 608402035 /nfs/dbraw/zinc/40/20/35/608402035.db2.gz FVUZHIIQCMPNSI-OAHLLOKOSA-N 1 0 399.499 1.238 20 0 GDADRO O[C@H](C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503330 608412863 /nfs/dbraw/zinc/41/28/63/608412863.db2.gz VNMKVKTYMKMJPP-DOTOQJQBSA-N 1 0 380.456 1.706 20 0 GDADRO C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1n1ccnc1 ZINC000824956116 608452356 /nfs/dbraw/zinc/45/23/56/608452356.db2.gz QIASAZZDSZLFPV-RHSMWYFYSA-N 1 0 380.456 1.975 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@@H]1n1ccnc1 ZINC000824957592 608453329 /nfs/dbraw/zinc/45/33/29/608453329.db2.gz XTVFCBMWQANXSU-YOEHRIQHSA-N 1 0 380.456 1.263 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555359 608468410 /nfs/dbraw/zinc/46/84/10/608468410.db2.gz WEOGKAXPIRBLFH-ZDUSSCGKSA-N 1 0 386.456 1.319 20 0 GDADRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826188524 608472968 /nfs/dbraw/zinc/47/29/68/608472968.db2.gz ZHHLDMUABNJHHB-XJKSGUPXSA-N 1 0 399.451 1.974 20 0 GDADRO C[N@H+](CC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCSC1 ZINC000825887425 608484663 /nfs/dbraw/zinc/48/46/63/608484663.db2.gz GNHDCVGOWSFRTR-QGZVFWFLSA-N 1 0 384.509 1.920 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562787 608490326 /nfs/dbraw/zinc/49/03/26/608490326.db2.gz IKXPKQVHZLDENV-ZDUSSCGKSA-N 1 0 384.415 1.852 20 0 GDADRO COc1ccc(C2([NH2+]C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826189881 608521292 /nfs/dbraw/zinc/52/12/92/608521292.db2.gz IBXDPMDOQXKRJC-INIZCTEOSA-N 1 0 381.436 1.894 20 0 GDADRO O=C1[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1C1CCOCC1 ZINC000826476345 608523905 /nfs/dbraw/zinc/52/39/05/608523905.db2.gz FYZNTINZMGBIMR-MSOLQXFVSA-N 1 0 382.468 1.614 20 0 GDADRO C[N@@H+](Cc1ccccc1)C[C@H](O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825981441 608530817 /nfs/dbraw/zinc/53/08/17/608530817.db2.gz SBUFGMYHCLRLPI-LJQANCHMSA-N 1 0 378.480 1.938 20 0 GDADRO O[C@H](C[NH2+]C1(c2ccc3c(c2)OCO3)CC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826502473 608555821 /nfs/dbraw/zinc/55/58/21/608555821.db2.gz DOQHUSGAKNTJPF-OAHLLOKOSA-N 1 0 395.419 1.614 20 0 GDADRO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000826034461 608565431 /nfs/dbraw/zinc/56/54/31/608565431.db2.gz RIBUSIMSGPGLKK-SNVBAGLBSA-N 1 0 390.391 1.258 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc([S@](C)=O)cc1 ZINC000824562039 608579305 /nfs/dbraw/zinc/57/93/05/608579305.db2.gz BWVCEJNVRYRULH-MUDIAHQHSA-N 1 0 384.465 1.893 20 0 GDADRO CSc1nc(C2CC2)cc(C(=O)N(C)CCC[NH+](C)C)c1-c1nn[nH]n1 ZINC000826231229 608592950 /nfs/dbraw/zinc/59/29/50/608592950.db2.gz CMNGXNAXDLBGER-UHFFFAOYSA-N 1 0 375.502 1.885 20 0 GDADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824967412 608594207 /nfs/dbraw/zinc/59/42/07/608594207.db2.gz JNXOBTJNNJCZAG-KBPBESRZSA-N 1 0 385.472 1.527 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000824999759 608839388 /nfs/dbraw/zinc/83/93/88/608839388.db2.gz JJYGRRORJKFPBW-HYVNUMGLSA-N 1 0 376.468 1.971 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C1 ZINC000825453270 609151186 /nfs/dbraw/zinc/15/11/86/609151186.db2.gz UVGHTKNUNZGSMD-OAHLLOKOSA-N 1 0 394.483 1.823 20 0 GDADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)n(C)n1 ZINC000826269231 609152112 /nfs/dbraw/zinc/15/21/12/609152112.db2.gz FTTFFXJMYMNNSE-IAQYHMDHSA-N 1 0 384.419 1.504 20 0 GDADRO CCC[NH+]1CCC(N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825326893 609169099 /nfs/dbraw/zinc/16/90/99/609169099.db2.gz HSMDMKGOTNLPOC-GOSISDBHSA-N 1 0 383.500 1.826 20 0 GDADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826434026 609185440 /nfs/dbraw/zinc/18/54/40/609185440.db2.gz ZQQSNRLBCFVWQF-WBVHZDCISA-N 1 0 382.424 1.446 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825213536 609238589 /nfs/dbraw/zinc/23/85/89/609238589.db2.gz ZUPRGQLZZVOSEZ-XHBSWPGZSA-N 1 0 396.492 1.717 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C[NH+]1CCN(C)CC1 ZINC000824428475 609291421 /nfs/dbraw/zinc/29/14/21/609291421.db2.gz RZKPHJDEMXXSKC-LBPRGKRZSA-N 1 0 377.880 1.133 20 0 GDADRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579092 609329264 /nfs/dbraw/zinc/32/92/64/609329264.db2.gz XISYVNOAANABDN-FZKQIMNGSA-N 1 0 392.504 1.864 20 0 GDADRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824593709 609332149 /nfs/dbraw/zinc/33/21/49/609332149.db2.gz SELHVDGMBSYEKL-GUYCJALGSA-N 1 0 389.479 1.599 20 0 GDADRO C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585296 609333332 /nfs/dbraw/zinc/33/33/32/609333332.db2.gz PFZDSTLLXPGWNI-OCCSQVGLSA-N 1 0 375.452 1.244 20 0 GDADRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)Cn1cccn1 ZINC000824426433 609336599 /nfs/dbraw/zinc/33/65/99/609336599.db2.gz FDODHJXHFFLEHN-AWEZNQCLSA-N 1 0 377.456 1.890 20 0 GDADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824975622 609341012 /nfs/dbraw/zinc/34/10/12/609341012.db2.gz KPPXJTLBQMHFGB-ACJLOTCBSA-N 1 0 378.484 1.840 20 0 GDADRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[C@H]1CN(C)CCO1 ZINC000824627141 609342151 /nfs/dbraw/zinc/34/21/51/609342151.db2.gz VCYCOLHKBULYMJ-SUMWQHHRSA-N 1 0 382.472 1.076 20 0 GDADRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CN(C)CCO1 ZINC000824627140 609342214 /nfs/dbraw/zinc/34/22/14/609342214.db2.gz VCYCOLHKBULYMJ-GUYCJALGSA-N 1 0 382.472 1.076 20 0 GDADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000823820684 609360078 /nfs/dbraw/zinc/36/00/78/609360078.db2.gz IZIXZUQEWZMBAV-ZDUSSCGKSA-N 1 0 389.261 1.885 20 0 GDADRO CCCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000825356858 609375856 /nfs/dbraw/zinc/37/58/56/609375856.db2.gz NJADOSNLDFBIIR-UHFFFAOYSA-N 1 0 394.483 1.821 20 0 GDADRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000826215437 609403251 /nfs/dbraw/zinc/40/32/51/609403251.db2.gz OSLBWBYFVJHSIC-CRAIPNDOSA-N 1 0 393.451 1.911 20 0 GDADRO CCc1nn(C)cc1C[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825762700 609416871 /nfs/dbraw/zinc/41/68/71/609416871.db2.gz GYKPRFIXQNYVDN-KRWDZBQOSA-N 1 0 380.456 1.448 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824529049 609449763 /nfs/dbraw/zinc/44/97/63/609449763.db2.gz DEOUYRFWBFSXMT-NEPJUHHUSA-N 1 0 379.424 1.768 20 0 GDADRO C[NH+]1CCN(c2ncccc2CNc2nc3ccccn3c2-c2nn[nH]n2)CC1 ZINC000826044527 609466432 /nfs/dbraw/zinc/46/64/32/609466432.db2.gz HBLQTYDAHYUHNF-UHFFFAOYSA-N 1 0 390.455 1.273 20 0 GDADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826429518 609497988 /nfs/dbraw/zinc/49/79/88/609497988.db2.gz FZESPJAIWDPBSF-BHYGNILZSA-N 1 0 377.452 1.835 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531044273 649986238 /nfs/dbraw/zinc/98/62/38/649986238.db2.gz UKJFWEZNOGTUNT-LBPRGKRZSA-N 1 0 398.301 1.992 20 0 GDADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000532381455 650022231 /nfs/dbraw/zinc/02/22/31/650022231.db2.gz RIJVMNYVNGHUSK-UHFFFAOYSA-N 1 0 398.301 1.774 20 0 GDADRO C[C@@H]1C[N@H+](C)CCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000533440747 650052396 /nfs/dbraw/zinc/05/23/96/650052396.db2.gz LTWSJPZRYPEIMK-GFCCVEGCSA-N 1 0 383.290 1.140 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2cccs2)C[C@H]1C ZINC000533340820 650049039 /nfs/dbraw/zinc/04/90/39/650049039.db2.gz WJHAVQDHXLVUSP-ZIAGYGMSSA-N 1 0 388.559 1.541 20 0 GDADRO NS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000533454521 650053340 /nfs/dbraw/zinc/05/33/40/650053340.db2.gz SSKFKPXUQUDRIJ-SWLSCSKDSA-N 1 0 383.539 1.413 20 0 GDADRO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000534791204 650231034 /nfs/dbraw/zinc/23/10/34/650231034.db2.gz NOXJEXBUQAAZAQ-MRXNPFEDSA-N 1 0 376.563 1.795 20 0 GDADRO NC(=O)N[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000535680672 650253487 /nfs/dbraw/zinc/25/34/87/650253487.db2.gz OOOAMKBVGOLVRV-GFCCVEGCSA-N 1 0 389.237 1.803 20 0 GDADRO CCc1nc(CC(=O)N(CC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000536034112 650263785 /nfs/dbraw/zinc/26/37/85/650263785.db2.gz DTDYGSUDYYEOLW-OAHLLOKOSA-N 1 0 387.571 1.606 20 0 GDADRO Cc1cccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)c1Br ZINC000536180019 650266410 /nfs/dbraw/zinc/26/64/10/650266410.db2.gz MDZJFIMIUQNSMX-UHFFFAOYSA-N 1 0 398.345 1.877 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000537033544 650286547 /nfs/dbraw/zinc/28/65/47/650286547.db2.gz PCHDKLNHIGFVSW-UHFFFAOYSA-N 1 0 396.962 1.895 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)N(CCC(F)(F)F)C[C@H](O)CO)c1cccs1 ZINC000537373238 650290576 /nfs/dbraw/zinc/29/05/76/650290576.db2.gz BXGNNVVCVUWDAR-RYUDHWBXSA-N 1 0 383.436 1.668 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)cc1 ZINC000537943892 650302429 /nfs/dbraw/zinc/30/24/29/650302429.db2.gz FWXRMDJKNFHXRQ-ZIAGYGMSSA-N 1 0 376.544 1.801 20 0 GDADRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1(C)C ZINC000538398090 650309464 /nfs/dbraw/zinc/30/94/64/650309464.db2.gz JXJNYZZGPZVWDM-APHBMKBZSA-N 1 0 388.555 1.918 20 0 GDADRO C[C@H]1CN(C(=O)NCCSCC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000539910868 650343002 /nfs/dbraw/zinc/34/30/02/650343002.db2.gz XYEGWCKNPRMUKM-UONOGXRCSA-N 1 0 382.496 1.949 20 0 GDADRO CS[C@H]1CN(CC(=O)Nc2ccnn2Cc2cccs2)C[C@H]1[NH+](C)C ZINC000540591757 650364221 /nfs/dbraw/zinc/36/42/21/650364221.db2.gz ZCDJYOSUNZEJNN-CABCVRRESA-N 1 0 379.555 1.909 20 0 GDADRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000540599689 650364699 /nfs/dbraw/zinc/36/46/99/650364699.db2.gz OGOKODZVSWPXHE-JTQLQIEISA-N 1 0 378.878 1.126 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000541034559 650376609 /nfs/dbraw/zinc/37/66/09/650376609.db2.gz CPEJNCYICLALKZ-CZUORRHYSA-N 1 0 399.333 1.418 20 0 GDADRO O=c1n2ccccc2nn1CC[NH2+][C@H](CCO)c1ccccc1Br ZINC000541949627 650396056 /nfs/dbraw/zinc/39/60/56/650396056.db2.gz YSABJBAUDBJUAW-OAHLLOKOSA-N 1 0 391.269 1.972 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000542978361 650416207 /nfs/dbraw/zinc/41/62/07/650416207.db2.gz FMOPKEUIWUPDGL-HNNXBMFYSA-N 1 0 376.475 1.328 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)Cn2cc(Br)cn2)CC1 ZINC000544602753 650441872 /nfs/dbraw/zinc/44/18/72/650441872.db2.gz CHSRTOUZWKGMPL-GFCCVEGCSA-N 1 0 393.351 1.685 20 0 GDADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545881001 650464061 /nfs/dbraw/zinc/46/40/61/650464061.db2.gz YEPBFVHAUAYNTO-MRXNPFEDSA-N 1 0 384.274 1.133 20 0 GDADRO COc1ccc(C[NH2+]C[C@](C)(O)CN2CCOCC2)c(Br)c1O ZINC000546179193 650473595 /nfs/dbraw/zinc/47/35/95/650473595.db2.gz WGRFINWSIFCCOY-INIZCTEOSA-N 1 0 389.290 1.336 20 0 GDADRO O=C(NCc1cc(Br)cc2c1OCC2)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000547324351 650495299 /nfs/dbraw/zinc/49/52/99/650495299.db2.gz JVJHZOQGESTKJV-OAHLLOKOSA-N 1 0 380.286 1.390 20 0 GDADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000547542807 650499999 /nfs/dbraw/zinc/49/99/99/650499999.db2.gz CLRIEIUKIWIPMF-MRVWCRGKSA-N 1 0 392.319 1.360 20 0 GDADRO C[C@@H](CNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)[NH+]1CCCC1 ZINC000548698085 650561223 /nfs/dbraw/zinc/56/12/23/650561223.db2.gz KKSVUXPMOVKAEU-ZDUSSCGKSA-N 1 0 385.917 1.568 20 0 GDADRO O=C(Cn1cc(Br)ccc1=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000550116850 650589181 /nfs/dbraw/zinc/58/91/81/650589181.db2.gz CAQKINWMSUDGRF-UHFFFAOYSA-N 1 0 382.302 1.945 20 0 GDADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCCc1ccc(Br)s1 ZINC000550590174 650595033 /nfs/dbraw/zinc/59/50/33/650595033.db2.gz JCNPARSKIWCBFZ-UHFFFAOYSA-N 1 0 376.320 1.579 20 0 GDADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000551203404 650601144 /nfs/dbraw/zinc/60/11/44/650601144.db2.gz QRZIFFWGLPPVOS-BRWVUGGUSA-N 1 0 386.539 1.657 20 0 GDADRO O=S(=O)(NCCC[NH2+][C@H]1CCCOC1)c1ccccc1Br ZINC000552324646 650623262 /nfs/dbraw/zinc/62/32/62/650623262.db2.gz DYBNYJGDYLLPTJ-LBPRGKRZSA-N 1 0 377.304 1.886 20 0 GDADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000553387834 650644823 /nfs/dbraw/zinc/64/48/23/650644823.db2.gz KQUTZWMKYXKRDQ-UHFFFAOYSA-N 1 0 375.516 1.352 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)[C@H](C)CC)cc1 ZINC000553816753 650658963 /nfs/dbraw/zinc/65/89/63/650658963.db2.gz XFIYGCDOCQBNME-CQSZACIVSA-N 1 0 391.559 1.384 20 0 GDADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccccc2Br)CCOCC1 ZINC000553830337 650659222 /nfs/dbraw/zinc/65/92/22/650659222.db2.gz NMAFWAOAXFHXHD-UHFFFAOYSA-N 1 0 391.331 1.979 20 0 GDADRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000554796187 650681927 /nfs/dbraw/zinc/68/19/27/650681927.db2.gz ZJHWATKWHWVRNB-UHFFFAOYSA-N 1 0 381.885 1.979 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000556009478 650698222 /nfs/dbraw/zinc/69/82/22/650698222.db2.gz HJYATSUXIJZJDP-LDYMZIIASA-N 1 0 376.404 1.785 20 0 GDADRO O[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)CN1CCOCC1 ZINC000556227869 650700352 /nfs/dbraw/zinc/70/03/52/650700352.db2.gz MSOXMASHKDPFMQ-CYBMUJFWSA-N 1 0 387.274 1.003 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000556665101 650707892 /nfs/dbraw/zinc/70/78/92/650707892.db2.gz YWSDZRJLGGCCOJ-LBPRGKRZSA-N 1 0 381.278 2.488 20 0 GDADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000556877289 650713894 /nfs/dbraw/zinc/71/38/94/650713894.db2.gz CKVOEQPHNAKAFA-NWDGAFQWSA-N 1 0 380.919 1.433 20 0 GDADRO Cc1sc(Br)c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1C ZINC000556905391 650714418 /nfs/dbraw/zinc/71/44/18/650714418.db2.gz QOXSCKRHKTUPRS-SECBINFHSA-N 1 0 376.320 1.924 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)C1(S(C)(=O)=O)CC1 ZINC000556923424 650715220 /nfs/dbraw/zinc/71/52/20/650715220.db2.gz JENZICORJUJFCV-UONOGXRCSA-N 1 0 386.539 1.843 20 0 GDADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)OC ZINC000556988101 650715837 /nfs/dbraw/zinc/71/58/37/650715837.db2.gz XGTXUIQBKSCEFE-UHFFFAOYSA-N 1 0 376.240 1.834 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000563952560 650744541 /nfs/dbraw/zinc/74/45/41/650744541.db2.gz LDVMHIMAKMGDPZ-MRXNPFEDSA-N 1 0 398.345 1.842 20 0 GDADRO CC[N@H+]1C[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000563897218 650742511 /nfs/dbraw/zinc/74/25/11/650742511.db2.gz NGMGPBJZADYMMV-PHIMTYICSA-N 1 0 379.935 1.621 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000564025247 650745825 /nfs/dbraw/zinc/74/58/25/650745825.db2.gz LABSBGVUYUTZQQ-CQSZACIVSA-N 1 0 387.933 1.809 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000564080819 650747289 /nfs/dbraw/zinc/74/72/89/650747289.db2.gz SRPVXCGGOCNXDY-JSGCOSHPSA-N 1 0 395.301 1.012 20 0 GDADRO CCn1c(CNC(=O)NC[C@@H]2C[NH2+]CCO2)nc2cc(Br)ccc21 ZINC000564188839 650751252 /nfs/dbraw/zinc/75/12/52/650751252.db2.gz UPALCDZEEAREMP-LBPRGKRZSA-N 1 0 396.289 1.606 20 0 GDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000564280367 650753992 /nfs/dbraw/zinc/75/39/92/650753992.db2.gz TWMZOGQFAOMSDX-CQSZACIVSA-N 1 0 386.543 1.213 20 0 GDADRO CSC1(CNS(=O)(=O)c2cnn(-c3ccccc3)c2)CC[NH+](C)CC1 ZINC000564410130 650757324 /nfs/dbraw/zinc/75/73/24/650757324.db2.gz SAZRZJCDJVTCPG-UHFFFAOYSA-N 1 0 380.539 1.978 20 0 GDADRO O=C(CCCS(=O)(=O)c1cccc(Br)c1)NC[C@H]1CCC[NH2+]1 ZINC000564722251 650765571 /nfs/dbraw/zinc/76/55/71/650765571.db2.gz UYEMRYFVRDRFGP-CYBMUJFWSA-N 1 0 389.315 1.871 20 0 GDADRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000564798159 650767976 /nfs/dbraw/zinc/76/79/76/650767976.db2.gz NYYQCDZXBSZHIR-HOTGVXAUSA-N 1 0 387.933 1.847 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CCC2(CC[NH2+]2)CC1 ZINC000564828343 650768744 /nfs/dbraw/zinc/76/87/44/650768744.db2.gz QKCWZJHYRHYUPI-UHFFFAOYSA-N 1 0 392.253 1.400 20 0 GDADRO C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl)[C@H](C)[NH3+] ZINC000564995501 650776148 /nfs/dbraw/zinc/77/61/48/650776148.db2.gz LTNNDTGDFWRNQC-JGVFFNPUSA-N 1 0 398.710 1.233 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000565304472 650791216 /nfs/dbraw/zinc/79/12/16/650791216.db2.gz SZIGKYWPIVEWBK-LLVKDONJSA-N 1 0 394.324 1.872 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000565313866 650792072 /nfs/dbraw/zinc/79/20/72/650792072.db2.gz ODENKDTWSFDMQZ-KRWDZBQOSA-N 1 0 382.302 1.880 20 0 GDADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCn1ccnc1 ZINC000565535326 650801439 /nfs/dbraw/zinc/80/14/39/650801439.db2.gz QYUXAUURFVZCFA-UHFFFAOYSA-N 1 0 385.511 1.130 20 0 GDADRO CN1C(=O)NCC12CC[NH+](C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000565712354 650809278 /nfs/dbraw/zinc/80/92/78/650809278.db2.gz HTJSBPRPYTVSHD-AWEZNQCLSA-N 1 0 398.301 1.678 20 0 GDADRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000565781914 650813244 /nfs/dbraw/zinc/81/32/44/650813244.db2.gz AKBHZXLOSNXXFL-UONOGXRCSA-N 1 0 387.311 1.786 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000565999782 650825320 /nfs/dbraw/zinc/82/53/20/650825320.db2.gz GIMCFXDVVRFVBG-DGCLKSJQSA-N 1 0 385.306 1.803 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000566019884 650826427 /nfs/dbraw/zinc/82/64/27/650826427.db2.gz VHSMRUMBJUBZIC-CQSZACIVSA-N 1 0 382.302 1.784 20 0 GDADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)O1 ZINC000566113066 650827602 /nfs/dbraw/zinc/82/76/02/650827602.db2.gz CWYVRPYSYFQFQG-ZENOOKHLSA-N 1 0 391.295 1.959 20 0 GDADRO NS(=O)(=O)CCNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000566195838 650834301 /nfs/dbraw/zinc/83/43/01/650834301.db2.gz PQZGVAKAAHPFLF-UHFFFAOYSA-N 1 0 386.543 1.675 20 0 GDADRO COC1(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[NH2+]CC1 ZINC000566251317 650837420 /nfs/dbraw/zinc/83/74/20/650837420.db2.gz MMSMDULBXDXIDV-CQSZACIVSA-N 1 0 386.279 1.984 20 0 GDADRO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000566252067 650837468 /nfs/dbraw/zinc/83/74/68/650837468.db2.gz CQITWUOBGOTIFY-BXUZGUMPSA-N 1 0 381.270 1.973 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000566282388 650838994 /nfs/dbraw/zinc/83/89/94/650838994.db2.gz FLOMJJBTHMMJPD-VIFPVBQESA-N 1 0 379.935 1.851 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CCN2C1=O ZINC000566490038 650852388 /nfs/dbraw/zinc/85/23/88/650852388.db2.gz CAFZLGPJOWHZFL-WFASDCNBSA-N 1 0 381.267 1.318 20 0 GDADRO C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000566509923 650853321 /nfs/dbraw/zinc/85/33/21/650853321.db2.gz YQWFEHVODUTFTN-YIZRAAEISA-N 1 0 377.392 1.176 20 0 GDADRO C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(Br)s1 ZINC000566512464 650853379 /nfs/dbraw/zinc/85/33/79/650853379.db2.gz HDZQAURWYPBBRU-GUBZILKMSA-N 1 0 387.303 1.525 20 0 GDADRO COc1c(Br)c(C)sc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566984555 650878496 /nfs/dbraw/zinc/87/84/96/650878496.db2.gz LOASJEROGWUJNR-IUCAKERBSA-N 1 0 388.287 1.212 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000567271705 650897191 /nfs/dbraw/zinc/89/71/91/650897191.db2.gz MRVKYRRZWDAYAV-QMMMGPOBSA-N 1 0 385.795 1.197 20 0 GDADRO C[NH+](C)CCNC(=S)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000016214188 644247436 /nfs/dbraw/zinc/24/74/36/644247436.db2.gz DCVIHVGHQAGFMR-UHFFFAOYSA-N 1 0 382.511 1.606 20 0 GDADRO CCOC(=O)c1sc2ncc(S(=O)(=O)N[C@H]3CCC[NH2+]C3)cc2c1C ZINC000567501822 650908418 /nfs/dbraw/zinc/90/84/18/650908418.db2.gz JIHCWEAXAHYTIW-NSHDSACASA-N 1 0 383.495 1.812 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000567515996 650909001 /nfs/dbraw/zinc/90/90/01/650909001.db2.gz QQYHKVDSVXVSNM-RYUDHWBXSA-N 1 0 383.290 1.315 20 0 GDADRO COc1ccc(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(Cl)c1 ZINC000567512451 650909019 /nfs/dbraw/zinc/90/90/19/650909019.db2.gz UWFVZXCNQBXQHW-UHFFFAOYSA-N 1 0 375.922 1.653 20 0 GDADRO CN(Cc1ccc(Br)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000032532805 644314382 /nfs/dbraw/zinc/31/43/82/644314382.db2.gz BZPPAEXPHQDTNJ-UHFFFAOYSA-N 1 0 395.301 1.855 20 0 GDADRO CC(C)C[C@@H](C[NH3+])NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000567614382 650910835 /nfs/dbraw/zinc/91/08/35/650910835.db2.gz FHVZDXFRQIJTBF-JTQLQIEISA-N 1 0 382.313 1.761 20 0 GDADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567628045 650912003 /nfs/dbraw/zinc/91/20/03/650912003.db2.gz HVCHNPKUSNVQNG-CHWSQXEVSA-N 1 0 381.274 1.842 20 0 GDADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1csc([C@@H]2CCCO2)n1 ZINC000567672083 650914394 /nfs/dbraw/zinc/91/43/94/650914394.db2.gz AIRDCTXOFCSRMS-RYUDHWBXSA-N 1 0 378.420 1.561 20 0 GDADRO NC(=O)NC(=O)CC[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000567709212 650916186 /nfs/dbraw/zinc/91/61/86/650916186.db2.gz MLDXMXIUENIOPQ-UHFFFAOYSA-N 1 0 381.601 1.619 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[NH+](CC3CC3)CC2)c1 ZINC000054959442 644465488 /nfs/dbraw/zinc/46/54/88/644465488.db2.gz KRKRIENJYYAHDE-UHFFFAOYSA-N 1 0 382.555 1.661 20 0 GDADRO [NH3+]CC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C(F)F ZINC000567912827 650929100 /nfs/dbraw/zinc/92/91/00/650929100.db2.gz WRRCGLXPONNSBH-VIFPVBQESA-N 1 0 389.346 1.082 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000567912269 650929138 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HLZHKLSBNYLYCD-LSDHHAIUSA-N 1 0 390.571 1.561 20 0 GDADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000292086289 645202203 /nfs/dbraw/zinc/20/22/03/645202203.db2.gz DZOOFHUANXNENC-CORIIIEPSA-N 1 0 398.301 1.185 20 0 GDADRO CC[NH2+]CCCNS(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000569240786 650990719 /nfs/dbraw/zinc/99/07/19/650990719.db2.gz FXDLQVMRQJLHTC-UHFFFAOYSA-N 1 0 379.276 1.514 20 0 GDADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3csc(S(N)(=O)=O)c3)C2)CC1 ZINC000299487990 645227887 /nfs/dbraw/zinc/22/78/87/645227887.db2.gz MNWSXWGCPCZPOP-AWEZNQCLSA-N 1 0 385.555 1.980 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1OC ZINC000307863488 645240491 /nfs/dbraw/zinc/24/04/91/645240491.db2.gz IBCWJXDJIDJVOQ-CYBMUJFWSA-N 1 0 393.303 1.885 20 0 GDADRO C[C@H](C(=O)N1CC[NH2+]C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000569454329 651000799 /nfs/dbraw/zinc/00/07/99/651000799.db2.gz FCOXKOLYIKWKTR-NXEZZACHSA-N 1 0 380.242 1.254 20 0 GDADRO 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CN(CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)S(=O)(=O)c1cccs1 ZINC000579571600 651868447 /nfs/dbraw/zinc/86/84/47/651868447.db2.gz GZKGIJIPCAHDPZ-BFHYXJOUSA-N 1 0 386.543 1.056 20 0 GDADRO C[C@H](C(=O)NC1CC[NH2+]CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000579589423 651869732 /nfs/dbraw/zinc/86/97/32/651869732.db2.gz DDAQIQNYPQEUOA-SECBINFHSA-N 1 0 380.242 1.302 20 0 GDADRO CCN(Cc1cc(Br)ccc1F)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000579593928 651870639 /nfs/dbraw/zinc/87/06/39/651870639.db2.gz LPGFTNVHFFFGCA-AWEZNQCLSA-N 1 0 386.265 1.805 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000579836371 651879528 /nfs/dbraw/zinc/87/95/28/651879528.db2.gz HOYUMOUYTVKMFN-ZENOOKHLSA-N 1 0 387.933 1.990 20 0 GDADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc2cccc(Br)c2n1 ZINC000579954697 651888104 /nfs/dbraw/zinc/88/81/04/651888104.db2.gz PKNLFPGGZLTKTD-ZDUSSCGKSA-N 1 0 391.269 2.194 20 0 GDADRO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Br)cn1 ZINC000580053908 651891665 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GDADRO O=C(NCC[N@@H+]1CCCOCC1)c1cccnc1-n1cc(Br)cn1 ZINC000582886447 652019509 /nfs/dbraw/zinc/01/95/09/652019509.db2.gz QXGOLRKQONYTAB-UHFFFAOYSA-N 1 0 394.273 1.482 20 0 GDADRO C[C@H]1C[C@@H](N(C)C(=O)NCCn2cc(Br)ccc2=O)CC[N@@H+]1C ZINC000583366896 652036787 /nfs/dbraw/zinc/03/67/87/652036787.db2.gz JTHXYNFEWJNLTF-JSGCOSHPSA-N 1 0 385.306 1.735 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Br ZINC000583933550 652050544 /nfs/dbraw/zinc/05/05/44/652050544.db2.gz BRDZGGGBJYUVRA-LLVKDONJSA-N 1 0 399.289 1.318 20 0 GDADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000584178603 652059508 /nfs/dbraw/zinc/05/95/08/652059508.db2.gz ZDNNBGCNXCQHTK-UHFFFAOYSA-N 1 0 387.933 1.977 20 0 GDADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)C1 ZINC000584231506 652062752 /nfs/dbraw/zinc/06/27/52/652062752.db2.gz YVFJMTLGCFGAGP-GFCCVEGCSA-N 1 0 389.905 1.927 20 0 GDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000584391969 652067695 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CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)C1 ZINC000597925102 652463543 /nfs/dbraw/zinc/46/35/43/652463543.db2.gz NTWAQTMHZHTKTI-LBPRGKRZSA-N 1 0 380.539 1.978 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)ccc1C(=O)OC ZINC000599108223 652478678 /nfs/dbraw/zinc/47/86/78/652478678.db2.gz TWFDVVLIAIBJCX-NWDGAFQWSA-N 1 0 391.287 1.655 20 0 GDADRO [NH3+]CCCOCCNC(=O)Nc1ccc(F)cc1I ZINC000599600772 652510676 /nfs/dbraw/zinc/51/06/76/652510676.db2.gz DZZZWJSOCYUWKE-UHFFFAOYSA-N 1 0 381.189 1.917 20 0 GDADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(I)c1 ZINC000599896630 652517303 /nfs/dbraw/zinc/51/73/03/652517303.db2.gz MMVPRFKKXIPPPH-NWDGAFQWSA-N 1 0 387.221 1.486 20 0 GDADRO [NH3+]CCCOCCNC(=O)NCCc1ccc(I)cc1 ZINC000599923759 652518502 /nfs/dbraw/zinc/51/85/02/652518502.db2.gz ZKZLBRXDGTVEAN-UHFFFAOYSA-N 1 0 391.253 1.498 20 0 GDADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)N(CCOC)CCOC)C1 ZINC000600771173 652553197 /nfs/dbraw/zinc/55/31/97/652553197.db2.gz 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CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000601430017 652580858 /nfs/dbraw/zinc/58/08/58/652580858.db2.gz ZORNMKPUNBYRDY-UHFFFAOYSA-N 1 0 376.425 1.856 20 0 GDADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(F)c1I ZINC000601573816 652594951 /nfs/dbraw/zinc/59/49/51/652594951.db2.gz FEQNWVIRXDJGHF-JGVFFNPUSA-N 1 0 391.184 1.317 20 0 GDADRO Cn1cc(I)c(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000602161871 652621866 /nfs/dbraw/zinc/62/18/66/652621866.db2.gz YKIDYVRBWPTEFU-ZDUSSCGKSA-N 1 0 388.253 1.658 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc2[nH]cc(I)c2c1 ZINC000602196819 652623716 /nfs/dbraw/zinc/62/37/16/652623716.db2.gz DHYIKKYNYBBBDZ-NSHDSACASA-N 1 0 399.232 1.569 20 0 GDADRO O[C@H](COc1ccc(Br)cc1)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000602350865 652632589 /nfs/dbraw/zinc/63/25/89/652632589.db2.gz ZZXNXULFCOAXNX-RYQLBKOJSA-N 1 0 399.329 1.720 20 0 GDADRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cccc(I)c1=O ZINC000602423330 652636562 /nfs/dbraw/zinc/63/65/62/652636562.db2.gz 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20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)C[C@@H]3CCCC(F)(F)C3)CC2)C1 ZINC000631976388 653283292 /nfs/dbraw/zinc/28/32/92/653283292.db2.gz USSJDHKUNFQFQU-HZPDHXFCSA-N 1 0 379.517 1.854 20 0 GDADRO CN1CCO[C@H](CS(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000632028257 653292497 /nfs/dbraw/zinc/29/24/97/653292497.db2.gz WSNJSXSOPJFBON-HLLBOEOZSA-N 1 0 387.571 1.381 20 0 GDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)Cc1ncsc1Br ZINC000632097921 653304337 /nfs/dbraw/zinc/30/43/37/653304337.db2.gz ZEDWHUHDTOXCEY-WPRPVWTQSA-N 1 0 380.333 1.808 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)Cc1ncsc1Br ZINC000632097919 653304364 /nfs/dbraw/zinc/30/43/64/653304364.db2.gz ZEDWHUHDTOXCEY-SCZZXKLOSA-N 1 0 380.333 1.808 20 0 GDADRO CCOc1cc(Cl)ccc1CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632135388 653311118 /nfs/dbraw/zinc/31/11/18/653311118.db2.gz BKCZVCRVVMVOKT-UHFFFAOYSA-N 1 0 389.949 1.796 20 0 GDADRO Cc1cc(S(=O)(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)sn1 ZINC000632197344 653315304 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O=S(=O)(Cc1ncsc1Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000632388733 653351317 /nfs/dbraw/zinc/35/13/17/653351317.db2.gz AELLQJHLWPGKQR-JTQLQIEISA-N 1 0 398.348 1.172 20 0 GDADRO Cn1c2ccc(S(=O)(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2sc1=O ZINC000632539440 653373281 /nfs/dbraw/zinc/37/32/81/653373281.db2.gz HRJSFYORVMNWDJ-ZIAGYGMSSA-N 1 0 381.523 1.895 20 0 GDADRO Cn1c2ccc(S(=O)(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)cc2sc1=O ZINC000632598277 653382074 /nfs/dbraw/zinc/38/20/74/653382074.db2.gz OAZHBYFAJWJWAC-ZDUSSCGKSA-N 1 0 381.523 1.895 20 0 GDADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC)CC1 ZINC000632660708 653395118 /nfs/dbraw/zinc/39/51/18/653395118.db2.gz MCLBGKMFPBFRQO-UHFFFAOYSA-N 1 0 389.543 1.090 20 0 GDADRO CC(C)Oc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)ccc1Br ZINC000633000814 653418430 /nfs/dbraw/zinc/41/84/30/653418430.db2.gz QCSOPQRKAYOLGS-NSHDSACASA-N 1 0 384.274 1.982 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000632996263 653418464 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SSQOSEJIOOKZNM-YNEHKIRRSA-N 1 0 385.452 1.034 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638551157 653539747 /nfs/dbraw/zinc/53/97/47/653539747.db2.gz PHWHAMKSJXXGRI-SMDDNHRTSA-N 1 0 378.416 1.998 20 0 GDADRO COC[C@]1(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[NH2+]C1 ZINC000638595831 653541357 /nfs/dbraw/zinc/54/13/57/653541357.db2.gz KLGZWAWAQQYGDA-PBHICJAKSA-N 1 0 396.285 1.297 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C[NH2+]1 ZINC000638651775 653542063 /nfs/dbraw/zinc/54/20/63/653542063.db2.gz YRNXKVLWLWXGFU-PSASIEDQSA-N 1 0 393.278 1.862 20 0 GDADRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1Br)N1CCOCC1 ZINC000638769974 653543016 /nfs/dbraw/zinc/54/30/16/653543016.db2.gz YVXWAAFNQUVERF-AWEZNQCLSA-N 1 0 387.318 1.889 20 0 GDADRO CO[C@H](C[NH2+]CCNS(=O)(=O)c1cc(C)sc1C)C1CCOCC1 ZINC000638789296 653543671 /nfs/dbraw/zinc/54/36/71/653543671.db2.gz VSQLFXYOGUYTQO-OAHLLOKOSA-N 1 0 376.544 1.674 20 0 GDADRO 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O=C(NCCn1cc(Br)ccc1=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654577598 653941561 /nfs/dbraw/zinc/94/15/61/653941561.db2.gz VHSFFUUUKVDXRS-GJZGRUSLSA-N 1 0 397.317 1.927 20 0 GDADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000654887849 653950230 /nfs/dbraw/zinc/95/02/30/653950230.db2.gz UJHFNNFTMYAZNT-VDISTLRHSA-N 1 0 380.286 1.795 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)NCCNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000655054058 653956452 /nfs/dbraw/zinc/95/64/52/653956452.db2.gz PPGSLBXBZWGUCO-LLVKDONJSA-N 1 0 377.869 1.215 20 0 GDADRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)CC1 ZINC000655270575 653962337 /nfs/dbraw/zinc/96/23/37/653962337.db2.gz DHCAYGLWXWLLLC-UHFFFAOYSA-N 1 0 379.935 1.995 20 0 GDADRO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655506953 653972075 /nfs/dbraw/zinc/97/20/75/653972075.db2.gz HGMBEJQMEIUTFK-GFCCVEGCSA-N 1 0 381.420 1.691 20 0 GDADRO [NH3+]C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(F)(F)F ZINC000655509419 653973084 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398.154 1.483 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656062548 654001186 /nfs/dbraw/zinc/00/11/86/654001186.db2.gz JHQZLGFWSAXZFT-OTVXOJSOSA-N 1 0 382.302 1.864 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000656093303 654002092 /nfs/dbraw/zinc/00/20/92/654002092.db2.gz GDVBADMCNUOPJH-HNNXBMFYSA-N 1 0 397.317 1.881 20 0 GDADRO C[NH+](C)CCN1CCN(c2ncc3scc(Br)c3n2)CC1=O ZINC000656204526 654011162 /nfs/dbraw/zinc/01/11/62/654011162.db2.gz XTJQRUXXWWVSHK-UHFFFAOYSA-N 1 0 384.303 1.664 20 0 GDADRO O=S(=O)(c1ccc(CNC2CC[NH+](C3CC3)CC2)s1)N1CCOCC1 ZINC000656497454 654031477 /nfs/dbraw/zinc/03/14/77/654031477.db2.gz PNDXXBKGJMMSIC-UHFFFAOYSA-N 1 0 385.555 1.485 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NCC3([NH+](C)C)CCCC3)cc2C1 ZINC000656875314 654061049 /nfs/dbraw/zinc/06/10/49/654061049.db2.gz QZPDJJPVXIFDHW-UHFFFAOYSA-N 1 0 385.555 1.805 20 0 GDADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)C[C@H](OC)C2CCCC2)CC1 ZINC000656917691 654071682 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Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000657966669 654173614 /nfs/dbraw/zinc/17/36/14/654173614.db2.gz HQSPMDZGPUVYMZ-ZWNOBZJWSA-N 1 0 384.249 1.998 20 0 GDADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)Cn1cncn1 ZINC000658032463 654179364 /nfs/dbraw/zinc/17/93/64/654179364.db2.gz SKASIGQTSCQCHX-QWHCGFSZSA-N 1 0 383.290 1.879 20 0 GDADRO CCN(C(=O)C(=O)N1CCc2c1cccc2Br)[C@@H]1CC[N@H+](C)C1 ZINC000658359470 654185445 /nfs/dbraw/zinc/18/54/45/654185445.db2.gz ALSNJBNFBVGRMO-GFCCVEGCSA-N 1 0 380.286 1.891 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NC[C@H]([NH3+])c3ccccc3)cc2C1 ZINC000658368261 654185799 /nfs/dbraw/zinc/18/57/99/654185799.db2.gz YHTITAXPHLQGFJ-HNNXBMFYSA-N 1 0 379.507 1.631 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)NC[C@@H]([NH3+])c3ccccc3)cc2C1 ZINC000658368263 654185845 /nfs/dbraw/zinc/18/58/45/654185845.db2.gz YHTITAXPHLQGFJ-OAHLLOKOSA-N 1 0 379.507 1.631 20 0 GDADRO O=S(=O)(CCc1ccccc1Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000658379372 654187123 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[NH3+]CCCn1cc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)nn1 ZINC000659358231 654224261 /nfs/dbraw/zinc/22/42/61/654224261.db2.gz GJCQZFFAIOLKLB-OAHLLOKOSA-N 1 0 394.273 1.603 20 0 GDADRO C[C@@H]1CCCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)[C@@H]1CCC[NH3+] ZINC000659376547 654224735 /nfs/dbraw/zinc/22/47/35/654224735.db2.gz YRCWJZRYLIFVEO-UKRRQHHQSA-N 1 0 387.571 1.819 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[C@H]1F ZINC000659389266 654225142 /nfs/dbraw/zinc/22/51/42/654225142.db2.gz RRYNGPGVRSNANZ-ZIAGYGMSSA-N 1 0 389.518 1.363 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCOc2ccc(Br)cc2)n1 ZINC000659445189 654227289 /nfs/dbraw/zinc/22/72/89/654227289.db2.gz FDGPEJNYEIJSLH-UHFFFAOYSA-N 1 0 396.245 1.282 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659549618 654228941 /nfs/dbraw/zinc/22/89/41/654228941.db2.gz MLGUCPIZLFBCPB-MRXNPFEDSA-N 1 0 397.317 1.659 20 0 GDADRO O=C(NCCNC(=O)c1ccc(Br)cn1)NCCC1CC[NH2+]CC1 ZINC000659560500 654229256 /nfs/dbraw/zinc/22/92/56/654229256.db2.gz LVARQOHPVIKDRH-UHFFFAOYSA-N 1 0 398.305 1.263 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCOc2cc(Br)ccc2C1 ZINC000659550452 654229354 /nfs/dbraw/zinc/22/93/54/654229354.db2.gz QYAPFTLOHFLJSN-AWEZNQCLSA-N 1 0 384.274 1.732 20 0 GDADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000659615404 654229743 /nfs/dbraw/zinc/22/97/43/654229743.db2.gz MVEORPILPBUZJM-UHFFFAOYSA-N 1 0 376.408 1.141 20 0 GDADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCNc2cccc(Br)c2)n1 ZINC000659630876 654230462 /nfs/dbraw/zinc/23/04/62/654230462.db2.gz OJYOUOVLFNDAQV-UHFFFAOYSA-N 1 0 395.261 1.315 20 0 GDADRO OC1(C[NH+]2CCOCC2)CCN(Cc2ncsc2Br)CC1 ZINC000660163601 654243022 /nfs/dbraw/zinc/24/30/22/654243022.db2.gz BAAYOAKPWSOMFO-UHFFFAOYSA-N 1 0 376.320 1.565 20 0 GDADRO O=C(C[NH2+][C@H](CO)C1CCC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000661155294 654264938 /nfs/dbraw/zinc/26/49/38/654264938.db2.gz DQHKAKJMOLTPOO-GOEBONIOSA-N 1 0 386.539 1.014 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)NCCNC(=O)c2ccc(Br)cn2)C1 ZINC000661513145 654272987 /nfs/dbraw/zinc/27/29/87/654272987.db2.gz FYJYHTCQPPXTFH-CYBMUJFWSA-N 1 0 398.305 1.357 20 0 GDADRO COCC[N@H+](C)C[C@H](O)CN1CCOC[C@H]1c1cccc(Br)c1 ZINC000661734801 654282587 /nfs/dbraw/zinc/28/25/87/654282587.db2.gz ZIQSNRXPMICJJV-IRXDYDNUSA-N 1 0 387.318 1.762 20 0 GDADRO COc1ncc(Br)cc1CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000662272131 654291470 /nfs/dbraw/zinc/29/14/70/654291470.db2.gz KKQTVNLWLNZBDM-AWEZNQCLSA-N 1 0 385.306 1.672 20 0 GDADRO CN(CC(=O)Nc1ccccc1Cl)C(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662333681 654293520 /nfs/dbraw/zinc/29/35/20/654293520.db2.gz ZYGJUWZALGFFRP-LBPRGKRZSA-N 1 0 380.798 1.558 20 0 GDADRO CCCNS(=O)(=O)c1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662482487 654296565 /nfs/dbraw/zinc/29/65/65/654296565.db2.gz CABWOUDRHSWIAX-CQSZACIVSA-N 1 0 379.404 1.855 20 0 GDADRO C[C@H](CC(=O)NCCNC(=O)c1ccc(Br)cn1)[C@H]1CCC[NH2+]C1 ZINC000662622996 654298543 /nfs/dbraw/zinc/29/85/43/654298543.db2.gz VUUBGFLQFKQMIT-OLZOCXBDSA-N 1 0 397.317 1.716 20 0 GDADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000662691245 654300147 /nfs/dbraw/zinc/30/01/47/654300147.db2.gz HXRSPOAOHBBFKM-HZPDHXFCSA-N 1 0 383.539 1.514 20 0 GDADRO C[C@H](Oc1ccccc1Br)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753829 654301554 /nfs/dbraw/zinc/30/15/54/654301554.db2.gz XWKDSUUYDFOWNJ-VIFPVBQESA-N 1 0 381.230 1.487 20 0 GDADRO [NH3+]C1(CNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC000662863135 654312269 /nfs/dbraw/zinc/31/22/69/654312269.db2.gz LYKQEQGUPHEJPR-UHFFFAOYSA-N 1 0 380.297 1.659 20 0 GDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662866956 654313811 /nfs/dbraw/zinc/31/38/11/654313811.db2.gz IGSJAGBNIQXHMK-ZIAGYGMSSA-N 1 0 379.507 1.579 20 0 GDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663014576 654318763 /nfs/dbraw/zinc/31/87/63/654318763.db2.gz LPHBADJKHLPPEI-HZMBPMFUSA-N 1 0 379.404 1.240 20 0 GDADRO CCN(C(=O)NCCNC(=O)c1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000663770998 654353011 /nfs/dbraw/zinc/35/30/11/654353011.db2.gz WERPIDUNEKYTSE-OAHLLOKOSA-N 1 0 397.317 1.915 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCc1ccccc1Br ZINC000663870830 654357990 /nfs/dbraw/zinc/35/79/90/654357990.db2.gz KXNOUBFVIVMVJO-UHFFFAOYSA-N 1 0 399.333 1.653 20 0 GDADRO O=C(Cn1c(=O)cc2ccc(Br)cn21)NC1CC[NH+](C2CC2)CC1 ZINC000664039482 654365635 /nfs/dbraw/zinc/36/56/35/654365635.db2.gz WXNOKLVRGNZNHV-UHFFFAOYSA-N 1 0 393.285 1.607 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CSc3ccc(Br)cc32)C[C@@H]1O ZINC000664773122 654391935 /nfs/dbraw/zinc/39/19/35/654391935.db2.gz RFWRASGXZHMJTI-AVGNSLFASA-N 1 0 386.315 1.912 20 0 GDADRO C[NH+](C)[C@H]1CN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1O ZINC000664969530 654395829 /nfs/dbraw/zinc/39/58/29/654395829.db2.gz YYWFNFLRWIDIBW-KBPBESRZSA-N 1 0 389.283 1.638 20 0 GDADRO Cn1cc(Br)c(=O)c(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000666696575 654433973 /nfs/dbraw/zinc/43/39/73/654433973.db2.gz BZDDAKPMFITDMH-NSHDSACASA-N 1 0 387.278 1.116 20 0 GDADRO Cc1nccc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1Br ZINC000666837388 654439831 /nfs/dbraw/zinc/43/98/31/654439831.db2.gz SMFCUBULIGGJSK-CYBMUJFWSA-N 1 0 383.290 1.949 20 0 GDADRO Cc1nccc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1Br ZINC000666837546 654439842 /nfs/dbraw/zinc/43/98/42/654439842.db2.gz XPQHFYOHHSJNHT-CYBMUJFWSA-N 1 0 383.290 1.637 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ccc1-n1cnnn1 ZINC000666914474 654440794 /nfs/dbraw/zinc/44/07/94/654440794.db2.gz GWDNGLJKJIQYLT-LLVKDONJSA-N 1 0 391.273 1.639 20 0 GDADRO CC[NH+]1CCC(CNC(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000667111655 654442179 /nfs/dbraw/zinc/44/21/79/654442179.db2.gz GYOZETZHSMFNBP-UHFFFAOYSA-N 1 0 393.289 1.887 20 0 GDADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ccc1-n1cnnn1 ZINC000667183016 654445032 /nfs/dbraw/zinc/44/50/32/654445032.db2.gz NYZQHBNPDMMHLF-NSHDSACASA-N 1 0 377.246 1.391 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667446658 654450962 /nfs/dbraw/zinc/45/09/62/654450962.db2.gz MDWWROHMVOVTKF-UHFFFAOYSA-N 1 0 396.644 1.532 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000769269438 654453543 /nfs/dbraw/zinc/45/35/43/654453543.db2.gz XLZLVFXAQSIBBQ-UHFFFAOYSA-N 1 0 379.404 1.667 20 0 GDADRO Cc1n[nH]c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1Br ZINC000769318878 654455549 /nfs/dbraw/zinc/45/55/49/654455549.db2.gz VUACAKCLTFOZFM-CHWSQXEVSA-N 1 0 385.306 1.978 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667698242 654459888 /nfs/dbraw/zinc/45/98/88/654459888.db2.gz PYRCMLJFHKYRLS-SNVBAGLBSA-N 1 0 377.388 1.384 20 0 GDADRO CNS(=O)(=O)C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000732205220 654463239 /nfs/dbraw/zinc/46/32/39/654463239.db2.gz DYADRQUSNFGTHG-CQSZACIVSA-N 1 0 377.304 1.496 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000732253043 654466742 /nfs/dbraw/zinc/46/67/42/654466742.db2.gz CSMVSZAZAWLCNV-DOMZBBRYSA-N 1 0 375.300 1.572 20 0 GDADRO CC[N@H+](C)C[C@@H]1CCN(Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000769517086 654467886 /nfs/dbraw/zinc/46/78/86/654467886.db2.gz YMPXBFJBDJJYTN-LSDHHAIUSA-N 1 0 388.965 1.978 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc2c(cc1Br)OCO2 ZINC000668559891 654485041 /nfs/dbraw/zinc/48/50/41/654485041.db2.gz RONVHUHGMLNCTL-UHFFFAOYSA-N 1 0 386.290 1.630 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000668627563 654488371 /nfs/dbraw/zinc/48/83/71/654488371.db2.gz RXKCDPOHYKJQHS-CQSZACIVSA-N 1 0 386.265 1.805 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(CO)CCCC1 ZINC000769936332 654493897 /nfs/dbraw/zinc/49/38/97/654493897.db2.gz URYYQGPPBHILLN-ZDUSSCGKSA-N 1 0 375.922 1.847 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)ccc2-n2cnnn2)CC[N@@H+]1C ZINC000669181360 654498711 /nfs/dbraw/zinc/49/87/11/654498711.db2.gz HBCIIQAVJXWWBT-JQWIXIFHSA-N 1 0 379.262 1.637 20 0 GDADRO CC(C)[C@H](C[NH+](C)C)NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000733164610 654501144 /nfs/dbraw/zinc/50/11/44/654501144.db2.gz ZDJUWACAHGWLAG-AWEZNQCLSA-N 1 0 396.285 1.748 20 0 GDADRO CC(C)[C@H](C[NH+](C)C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000733165134 654501271 /nfs/dbraw/zinc/50/12/71/654501271.db2.gz HJEYPNBDKULNFV-HNNXBMFYSA-N 1 0 375.922 1.711 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000733209708 654502389 /nfs/dbraw/zinc/50/23/89/654502389.db2.gz NSBUJERAEBKAGH-OAHLLOKOSA-N 1 0 384.571 1.563 20 0 GDADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cc(Br)ccc2C)C1 ZINC000669312004 654502940 /nfs/dbraw/zinc/50/29/40/654502940.db2.gz DUSZKOIDEREJEQ-OAHLLOKOSA-N 1 0 382.302 1.974 20 0 GDADRO C[C@@](CO)([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000669930020 654514934 /nfs/dbraw/zinc/51/49/34/654514934.db2.gz DEJFEEFBRZHXLR-DOMZBBRYSA-N 1 0 380.432 1.784 20 0 GDADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2ccc(Br)cn2)CCCOC1 ZINC000770702450 654519504 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CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(Br)cc2F)C1 ZINC000830461562 654946072 /nfs/dbraw/zinc/94/60/72/654946072.db2.gz FPFPOVSFOXLFJB-ZDUSSCGKSA-N 1 0 386.265 1.805 20 0 GDADRO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000830488155 654946844 /nfs/dbraw/zinc/94/68/44/654946844.db2.gz TXRIRCVCVKAOMK-HIFRSBDPSA-N 1 0 387.274 1.961 20 0 GDADRO O=C1CC[C@@H]([N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)C(=O)N1 ZINC000830515417 654947934 /nfs/dbraw/zinc/94/79/34/654947934.db2.gz WUVQFXYBSOPXEX-GXTWGEPZSA-N 1 0 398.244 1.961 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc(Br)cn3)nn2)C[N@@H+]1C1CC1 ZINC000753707076 654955410 /nfs/dbraw/zinc/95/54/10/654955410.db2.gz OIUVCSLTVOTZDH-ZYHUDNBSSA-N 1 0 391.273 1.780 20 0 GDADRO COC(=O)[C@H]1Cc2c(Br)cccc2CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000830773257 654958169 /nfs/dbraw/zinc/95/81/69/654958169.db2.gz JTEOLLXDSVMLLG-WMLDXEAASA-N 1 0 397.313 1.806 20 0 GDADRO COc1ccc(C(=O)N2CC[NH+]3CCC2CC3)nc1I ZINC000787505800 654966515 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1.790 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000788254454 654988541 /nfs/dbraw/zinc/98/85/41/654988541.db2.gz BEOFFGGFKCYMCY-CABCVRRESA-N 1 0 378.535 1.863 20 0 GDADRO CCO[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C[NH+](C)C ZINC000831776333 654996702 /nfs/dbraw/zinc/99/67/02/654996702.db2.gz HSTBMMGYAAKLCQ-CYBMUJFWSA-N 1 0 391.921 1.287 20 0 GDADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCSC(F)(F)F ZINC000788557066 654998266 /nfs/dbraw/zinc/99/82/66/654998266.db2.gz KBPKUBSFXSPAMQ-CYBMUJFWSA-N 1 0 377.432 1.645 20 0 GDADRO C[NH+]1CCN(CCNS(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CC1 ZINC000788920839 655008421 /nfs/dbraw/zinc/00/84/21/655008421.db2.gz RHBHKZAUMLQBRX-UHFFFAOYSA-N 1 0 386.880 1.553 20 0 GDADRO O=C(NC[C@@H]1CSCCS1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000756055079 655008920 /nfs/dbraw/zinc/00/89/20/655008920.db2.gz RPJZAOZOGRPZMW-AEFFLSMTSA-N 1 0 381.567 1.771 20 0 GDADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cnc(Cl)c(F)c1 ZINC000805005459 655010237 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1.239 20 0 GDADRO [NH3+]CCCCCCNS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842916925 655384045 /nfs/dbraw/zinc/38/40/45/655384045.db2.gz RQBFVUVQLGCBFT-UHFFFAOYSA-N 1 0 388.433 1.778 20 0 GDADRO [NH3+]CCCCCCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000842919102 655384223 /nfs/dbraw/zinc/38/42/23/655384223.db2.gz JPFNFGQPNZAIOE-UHFFFAOYSA-N 1 0 389.543 1.269 20 0 GDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000819058693 655384475 /nfs/dbraw/zinc/38/44/75/655384475.db2.gz GDVGSMLMVRITHI-HNNXBMFYSA-N 1 0 380.432 1.583 20 0 GDADRO Cn1cc(N2CC[C@@H]([NH2+]C[C@@H](O)c3cccc(Br)c3)C2=O)cn1 ZINC000819082710 655384989 /nfs/dbraw/zinc/38/49/89/655384989.db2.gz VHCWWTLDGMHTOX-HUUCEWRRSA-N 1 0 379.258 1.611 20 0 GDADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000819094508 655385586 /nfs/dbraw/zinc/38/55/86/655385586.db2.gz LXQIOPMSMKSKCU-NUEKZKHPSA-N 1 0 375.512 1.069 20 0 GDADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C[C@H](O)c2cccc(Br)c2)C1=O 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COC(=O)C[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000843387564 655394093 /nfs/dbraw/zinc/39/40/93/655394093.db2.gz SCRWIZYTRAFOAR-HUUCEWRRSA-N 1 0 399.285 1.938 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843407366 655394375 /nfs/dbraw/zinc/39/43/75/655394375.db2.gz YCTUPYIEMQFEBK-KGLIPLIRSA-N 1 0 378.539 1.054 20 0 GDADRO CC(C)[C@H]1CN(C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)CC[NH2+]1 ZINC000843467464 655395713 /nfs/dbraw/zinc/39/57/13/655395713.db2.gz BQOFTNUYFGBIAR-QWHCGFSZSA-N 1 0 388.921 1.248 20 0 GDADRO COCCS(=O)(=O)CC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000819787418 655396042 /nfs/dbraw/zinc/39/60/42/655396042.db2.gz MKJBCIVZOSETNG-CQSZACIVSA-N 1 0 376.906 1.163 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NCCCCCC[NH3+])sc1Br ZINC000843509412 655397324 /nfs/dbraw/zinc/39/73/24/655397324.db2.gz AOWUEZZRDXBHIZ-UHFFFAOYSA-N 1 0 384.321 1.407 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)/C=C/c2ccc(Cl)s2)CC1=O ZINC000819886526 655397695 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CC(C)(C)OC(=O)N1CC[C@](O)(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)C1 ZINC000846893197 655461871 /nfs/dbraw/zinc/46/18/71/655461871.db2.gz SXUVLYQDDOTORO-PBHICJAKSA-N 1 0 376.519 1.257 20 0 GDADRO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823453545 655463417 /nfs/dbraw/zinc/46/34/17/655463417.db2.gz ROVQJOFFWKYTPA-RBSFLKMASA-N 1 0 375.535 1.775 20 0 GDADRO CC(C)C[C@H](NC(=O)NCCC1SCCS1)C(=O)NCC[NH+](C)C ZINC000823619650 655465867 /nfs/dbraw/zinc/46/58/67/655465867.db2.gz WCLWHMQNHZEDAK-ZDUSSCGKSA-N 1 0 376.592 1.574 20 0 GDADRO COc1cc(Br)cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000823866391 655468963 /nfs/dbraw/zinc/46/89/63/655468963.db2.gz XVUPIXMHOJAFRF-UHFFFAOYSA-N 1 0 384.274 1.304 20 0 GDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847491121 655470302 /nfs/dbraw/zinc/47/03/02/655470302.db2.gz ISAQSNFDOJQYPN-GFCCVEGCSA-N 1 0 387.297 1.987 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cc2c1OCCO2 ZINC000824734428 655479758 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CCCS(=O)(=O)CC[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000852452570 655614362 /nfs/dbraw/zinc/61/43/62/655614362.db2.gz CEOVPDWXYODYQT-CYBMUJFWSA-N 1 0 378.416 1.921 20 0 GDADRO CC(C)[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000852729628 655621409 /nfs/dbraw/zinc/62/14/09/655621409.db2.gz ABFHNYRJSFKGTE-HZPDHXFCSA-N 1 0 375.918 1.927 20 0 GDADRO O=C(NC1CC[NH2+]CC1)c1cnn(-c2ccccc2)c1I ZINC000852790020 655622549 /nfs/dbraw/zinc/62/25/49/655622549.db2.gz NLQKJVFPEUEHJE-UHFFFAOYSA-N 1 0 396.232 1.959 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000852795290 655622704 /nfs/dbraw/zinc/62/27/04/655622704.db2.gz WLCRKJBWNNBIAP-SNVBAGLBSA-N 1 0 384.267 1.568 20 0 GDADRO O=C(CC[C@@H]1CC1(Cl)Cl)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000852834487 655623880 /nfs/dbraw/zinc/62/38/80/655623880.db2.gz RFRWHBRGCHWSBY-MRVWCRGKSA-N 1 0 389.327 1.707 20 0 GDADRO C[NH2+]CCN(C)C(=O)c1cnn(-c2ccccc2)c1I ZINC000852874094 655624900 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CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000853820156 655650992 /nfs/dbraw/zinc/65/09/92/655650992.db2.gz IPGKSFDHCTZLFL-JKSUJKDBSA-N 1 0 375.535 1.144 20 0 GDADRO Cn1nc(Br)c2c1ncnc2N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853966612 655654835 /nfs/dbraw/zinc/65/48/35/655654835.db2.gz WPTPOXYROHVTEY-NSHDSACASA-N 1 0 381.278 1.161 20 0 GDADRO [NH3+]CCc1noc(CNC(=O)Cn2ccc3ccc(Br)cc32)n1 ZINC000854131667 655657422 /nfs/dbraw/zinc/65/74/22/655657422.db2.gz RHILNDVIZZCDQE-UHFFFAOYSA-N 1 0 378.230 1.604 20 0 GDADRO Cc1nc(Br)sc1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000854335750 655662558 /nfs/dbraw/zinc/66/25/58/655662558.db2.gz AOYAGBNXWQNQBP-UHFFFAOYSA-N 1 0 375.336 1.970 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1Cc2cc(Br)ccc2O1 ZINC000854353404 655663546 /nfs/dbraw/zinc/66/35/46/655663546.db2.gz YJFVYGNHHHSDJG-GDBMZVCRSA-N 1 0 380.286 1.259 20 0 GDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(C(F)(F)Br)nc1 ZINC000854353725 655663792 /nfs/dbraw/zinc/66/37/92/655663792.db2.gz DLOSIPSRVWJOPU-LBPRGKRZSA-N 1 0 389.244 1.646 20 0 GDADRO C[NH+](C)CC1CN(C(=O)c2ccnc(Cl)c2I)C1 ZINC000854724943 655675202 /nfs/dbraw/zinc/67/52/02/655675202.db2.gz WIOWTDSPDWPGGZ-UHFFFAOYSA-N 1 0 379.629 1.973 20 0 GDADRO C[C@]1(C(=O)NCC[NH+]2CCC(O)CC2)CC1(Br)Br ZINC000854850505 655679329 /nfs/dbraw/zinc/67/93/29/655679329.db2.gz IHFXHGPHGBPTCN-LLVKDONJSA-N 1 0 384.112 1.455 20 0 GDADRO C[NH+]1CCC(CNC(=O)CC[C@@H]2CC2(Cl)Cl)(N2CCOCC2)CC1 ZINC000854931796 655681482 /nfs/dbraw/zinc/68/14/82/655681482.db2.gz OYVYCLCVPXXTKK-CQSZACIVSA-N 1 0 378.344 1.873 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1=O ZINC000855014115 655683916 /nfs/dbraw/zinc/68/39/16/655683916.db2.gz IPSCAVZDHZZSMZ-UHFFFAOYSA-N 1 0 384.267 1.487 20 0 GDADRO CCN(C(=O)c1ccc(OC)c(I)n1)[C@@H]1CC[N@H+](C)C1 ZINC000855361912 655692608 /nfs/dbraw/zinc/69/26/08/655692608.db2.gz WOSFBFZTMYPMKZ-SNVBAGLBSA-N 1 0 389.237 1.861 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000855415933 655693796 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1.476 20 0 GDADRO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000863548637 655875333 /nfs/dbraw/zinc/87/53/33/655875333.db2.gz UTKSSOMSRGNBEQ-ZDUSSCGKSA-N 1 0 375.441 1.551 20 0 GDADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN(C)C[C@@H](C)[NH3+] ZINC000863566477 655875790 /nfs/dbraw/zinc/87/57/90/655875790.db2.gz KIBMSWOEAHQOHQ-GFCCVEGCSA-N 1 0 385.306 1.433 20 0 GDADRO C[C@](O)(C[NH2+]CCN1CC[C@H](O)C1)c1ccc(Br)cc1Cl ZINC000863590801 655876707 /nfs/dbraw/zinc/87/67/07/655876707.db2.gz PAUZQEUWHYJNMB-WFASDCNBSA-N 1 0 377.710 1.966 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000863754730 655879856 /nfs/dbraw/zinc/87/98/56/655879856.db2.gz VIDRBGSEKQIUSW-SMDDNHRTSA-N 1 0 384.274 1.155 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccnc(Cl)c1I ZINC000863833117 655882802 /nfs/dbraw/zinc/88/28/02/655882802.db2.gz JOPNRAAFBINDHT-QMMMGPOBSA-N 1 0 395.628 1.136 20 0 GDADRO C[C@@H](C[NH2+]Cc1c(I)cnn1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000864050896 655887769 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COc1ncc(Br)cc1C[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000865481098 655920406 /nfs/dbraw/zinc/92/04/06/655920406.db2.gz LLTCGWYHXCPHAM-BZNIZROVSA-N 1 0 397.273 1.663 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc(CO)c(Br)n2)CC1 ZINC000865632392 655923326 /nfs/dbraw/zinc/92/33/26/655923326.db2.gz PHJQHPZBTBGEBU-CYBMUJFWSA-N 1 0 383.290 1.255 20 0 GDADRO O=S(=O)([C@@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1)N1CCOCC1 ZINC000865665557 655923849 /nfs/dbraw/zinc/92/38/49/655923849.db2.gz YMOBAIVUWLXJIK-GFCCVEGCSA-N 1 0 379.404 1.731 20 0 GDADRO O=C1OC[C@]2(C[NH2+]Cc3ccccc3I)COCCN12 ZINC000865768698 655926132 /nfs/dbraw/zinc/92/61/32/655926132.db2.gz OZUAWWNTWFYOFK-AWEZNQCLSA-N 1 0 388.205 1.602 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000865789317 655926722 /nfs/dbraw/zinc/92/67/22/655926722.db2.gz WVTRNZYVZBJQAP-OAHLLOKOSA-N 1 0 398.301 1.370 20 0 GDADRO O=C1COC[C@]2(C[NH2+]Cc3ccc(OC(F)F)c(Cl)c3)COCCN12 ZINC000865797032 655927064 /nfs/dbraw/zinc/92/70/64/655927064.db2.gz 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C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2ccc(Br)cc2=O)C1 ZINC000866280410 655936821 /nfs/dbraw/zinc/93/68/21/655936821.db2.gz VOZHAFLLCHEQBB-AWEZNQCLSA-N 1 0 382.302 1.801 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000866505076 655947759 /nfs/dbraw/zinc/94/77/59/655947759.db2.gz HFVBMQAPYFKDJB-UHFFFAOYSA-N 1 0 377.869 1.015 20 0 GDADRO CN1CCO[C@@H]([C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000866570903 655950007 /nfs/dbraw/zinc/95/00/07/655950007.db2.gz RLRDTAYZEUXPNO-HZPDHXFCSA-N 1 0 389.949 1.616 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCN(CCC(C)(C)C)CC2)c(Br)n1 ZINC000866573182 655950066 /nfs/dbraw/zinc/95/00/66/655950066.db2.gz IOJKHBVOLYCRBS-UHFFFAOYSA-N 1 0 393.351 1.925 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000866595920 655951002 /nfs/dbraw/zinc/95/10/02/655951002.db2.gz VGNQXALVBXSBBR-UHFFFAOYSA-N 1 0 377.304 1.971 20 0 GDADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cnn(C)c2Br)CC1 ZINC000866627560 655951878 /nfs/dbraw/zinc/95/18/78/655951878.db2.gz 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CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000866792596 655964267 /nfs/dbraw/zinc/96/42/67/655964267.db2.gz GRFVNYZFMPIPBZ-MWLCHTKSSA-N 1 0 391.287 1.736 20 0 GDADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000866794010 655964283 /nfs/dbraw/zinc/96/42/83/655964283.db2.gz NBESRGGKPKWYGL-NPMABZOXSA-N 1 0 377.507 1.801 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C[C@H]2C)s1 ZINC000866793465 655964287 /nfs/dbraw/zinc/96/42/87/655964287.db2.gz QYKCVXFEKJKWBI-RQJHMYQMSA-N 1 0 383.289 1.407 20 0 GDADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000866792595 655964293 /nfs/dbraw/zinc/96/42/93/655964293.db2.gz GRFVNYZFMPIPBZ-KOLCDFICSA-N 1 0 391.287 1.736 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000866814776 655966392 /nfs/dbraw/zinc/96/63/92/655966392.db2.gz HEZXLRHREILBHG-PBHICJAKSA-N 1 0 375.535 1.203 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000866817363 655966750 /nfs/dbraw/zinc/96/67/50/655966750.db2.gz SSZJECRBUCDLKV-KFWWJZLASA-N 1 0 385.873 1.037 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000866817364 655966751 /nfs/dbraw/zinc/96/67/51/655966751.db2.gz SSZJECRBUCDLKV-ZNMIVQPWSA-N 1 0 385.873 1.037 20 0 GDADRO COCCC1(NS(=O)(=O)c2cc(OC)c(OC)cc2F)CC[NH2+]CC1 ZINC000866821156 655967044 /nfs/dbraw/zinc/96/70/44/655967044.db2.gz SRVIOSNOOQSMBP-UHFFFAOYSA-N 1 0 376.450 1.280 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1Cl ZINC000866827729 655967551 /nfs/dbraw/zinc/96/75/51/655967551.db2.gz RQILHXGLXBJBLG-OCCSQVGLSA-N 1 0 375.853 1.953 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866831589 655968062 /nfs/dbraw/zinc/96/80/62/655968062.db2.gz OGOGZICMRPSNGC-QWHCGFSZSA-N 1 0 392.262 1.806 20 0 GDADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000866876517 655972674 /nfs/dbraw/zinc/97/26/74/655972674.db2.gz MBMLSHPAXPDCKW-UHFFFAOYSA-N 1 0 379.324 1.583 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000866893168 655974559 /nfs/dbraw/zinc/97/45/59/655974559.db2.gz MDPBQIWBKHYZPK-NSHDSACASA-N 1 0 379.324 1.535 20 0 GDADRO CC(C)[NH+](CCCNS(=O)(=O)c1cnn(C)c1Br)C(C)C ZINC000866902295 655975390 /nfs/dbraw/zinc/97/53/90/655975390.db2.gz BKOGMTGYVSMLLX-UHFFFAOYSA-N 1 0 381.340 1.970 20 0 GDADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC ZINC000866905463 655975743 /nfs/dbraw/zinc/97/57/43/655975743.db2.gz NLLRRWRIQLJKRX-UHFFFAOYSA-N 1 0 376.450 1.631 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1Br ZINC000866971951 655983245 /nfs/dbraw/zinc/98/32/45/655983245.db2.gz KNNPGMPZOWEYMI-MNOVXSKESA-N 1 0 377.308 1.287 20 0 GDADRO CC[S@@](C)(=O)=NS(=O)(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000867036283 655989925 /nfs/dbraw/zinc/98/99/25/655989925.db2.gz UZIHEUXCPZHMJJ-HSZRJFAPSA-N 1 0 383.580 1.419 20 0 GDADRO Cn1cc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c(Br)n1 ZINC000867040811 655990356 /nfs/dbraw/zinc/99/03/56/655990356.db2.gz FTPSDONDXMJTQZ-UHFFFAOYSA-N 1 0 377.308 1.432 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cnn(C)c1Br ZINC000867064335 655992920 /nfs/dbraw/zinc/99/29/20/655992920.db2.gz JYIANIZKLWOPMP-JTQLQIEISA-N 1 0 379.324 1.533 20 0 GDADRO CCC(CC)[C@H](CNS(=O)(=O)c1cnn(C)c1Br)[NH+](C)C ZINC000867146267 656002119 /nfs/dbraw/zinc/00/21/19/656002119.db2.gz CWQPREWIMSXBJL-NSHDSACASA-N 1 0 381.340 1.827 20 0 GDADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cnn(C)c1Br ZINC000867270550 656027822 /nfs/dbraw/zinc/02/78/22/656027822.db2.gz RHACWVXHPPZYLN-MNOVXSKESA-N 1 0 377.308 1.430 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cnn(C(C)C)c1I ZINC000867462817 656065876 /nfs/dbraw/zinc/06/58/76/656065876.db2.gz WGCCOQHMQUASIB-UHFFFAOYSA-N 1 0 394.257 1.113 20 0 GDADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867524852 656076512 /nfs/dbraw/zinc/07/65/12/656076512.db2.gz QCWKWVODPZENEH-OAHLLOKOSA-N 1 0 397.317 1.793 20 0 GDADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000867533185 656078982 /nfs/dbraw/zinc/07/89/82/656078982.db2.gz JUBJOLBBEZMVFU-UHFFFAOYSA-N 1 0 377.551 1.893 20 0 GDADRO CSc1nnc(CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)s1 ZINC000867665502 656100494 /nfs/dbraw/zinc/10/04/94/656100494.db2.gz HNYXUVAOPZOWLD-VIFPVBQESA-N 1 0 375.520 1.331 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000867706064 656104466 /nfs/dbraw/zinc/10/44/66/656104466.db2.gz QXICMRBCTZQXSM-UHFFFAOYSA-N 1 0 386.275 1.468 20 0 GDADRO CC(C)NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000867956042 656135427 /nfs/dbraw/zinc/13/54/27/656135427.db2.gz KYHBQRDEMLCBQB-INIZCTEOSA-N 1 0 397.317 1.118 20 0 GDADRO CC(C)n1ncc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1I ZINC000867970015 656136115 /nfs/dbraw/zinc/13/61/15/656136115.db2.gz VVXYETOPUIXSMT-NXEZZACHSA-N 1 0 376.242 1.878 20 0 GDADRO C[C@@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)C1CC[NH2+]CC1 ZINC000868007485 656137503 /nfs/dbraw/zinc/13/75/03/656137503.db2.gz NOBDPEMDMJWOFN-SNVBAGLBSA-N 1 0 379.262 1.543 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000868047514 656138370 /nfs/dbraw/zinc/13/83/70/656138370.db2.gz PFJSKDAOHPAGBF-OAHLLOKOSA-N 1 0 398.301 1.324 20 0 GDADRO Cn1ncc(I)c1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000868052742 656138593 /nfs/dbraw/zinc/13/85/93/656138593.db2.gz RYYNRCFAMHDIAI-LLVKDONJSA-N 1 0 384.221 1.383 20 0 GDADRO C[C@@H]([NH3+])c1ccc(C(=O)NCc2c(I)cnn2C)cc1 ZINC000868052262 656138643 /nfs/dbraw/zinc/13/86/43/656138643.db2.gz OGXNZKNYUBYYGN-SECBINFHSA-N 1 0 384.221 1.974 20 0 GDADRO Cn1ncc(I)c1CNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000868052447 656138664 /nfs/dbraw/zinc/13/86/64/656138664.db2.gz QOKNQZRQWWRMRB-LBPRGKRZSA-N 1 0 398.248 1.601 20 0 GDADRO COc1cc(I)ccc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000868062494 656139284 /nfs/dbraw/zinc/13/92/84/656139284.db2.gz SKLBHRKCQTZHRQ-GHMZBOCLSA-N 1 0 386.233 1.981 20 0 GDADRO C[C@]1([NH3+])CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1 ZINC000868073138 656139680 /nfs/dbraw/zinc/13/96/80/656139680.db2.gz KNVJSIITKCATES-AWEZNQCLSA-N 1 0 390.303 1.067 20 0 GDADRO CC(C)n1ncc(C(=O)NOC2CC[NH+](C)CC2)c1I ZINC000868089982 656140674 /nfs/dbraw/zinc/14/06/74/656140674.db2.gz ASCGEYADMGSCOG-UHFFFAOYSA-N 1 0 392.241 1.824 20 0 GDADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868205154 656144003 /nfs/dbraw/zinc/14/40/03/656144003.db2.gz WODKMSXODJRFRH-QMMMGPOBSA-N 1 0 381.068 1.995 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000868246717 656146038 /nfs/dbraw/zinc/14/60/38/656146038.db2.gz WCOAERDOSLGPAE-SNVBAGLBSA-N 1 0 384.274 1.982 20 0 GDADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868245625 656146044 /nfs/dbraw/zinc/14/60/44/656146044.db2.gz AOBRDJAZINOFPY-UHFFFAOYSA-N 1 0 393.079 1.957 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000868253569 656146681 /nfs/dbraw/zinc/14/66/81/656146681.db2.gz PNYMDSSVLFEANZ-MNOVXSKESA-N 1 0 384.274 1.840 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868256718 656146955 /nfs/dbraw/zinc/14/69/55/656146955.db2.gz OOJPBXOMZBCRNL-ZETCQYMHSA-N 1 0 393.079 1.874 20 0 GDADRO Cc1c(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)cnc(Cl)c1Br ZINC000868286423 656148714 /nfs/dbraw/zinc/14/87/14/656148714.db2.gz PSMVPNDDYZMOIZ-HTRCEHHLSA-N 1 0 375.654 1.693 20 0 GDADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000868286870 656148745 /nfs/dbraw/zinc/14/87/45/656148745.db2.gz ROWSTMISCFMIAO-BDAKNGLRSA-N 1 0 384.230 1.107 20 0 GDADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c(Br)n1 ZINC000868293996 656149499 /nfs/dbraw/zinc/14/94/99/656149499.db2.gz HNTWIBSAUXLUDZ-LLVKDONJSA-N 1 0 383.290 1.985 20 0 GDADRO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)C2 ZINC000868398398 656154217 /nfs/dbraw/zinc/15/42/17/656154217.db2.gz OFUWYOARUYDWNH-ZDUSSCGKSA-N 1 0 394.313 1.840 20 0 GDADRO CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868422801 656155095 /nfs/dbraw/zinc/15/50/95/656155095.db2.gz WAQBTCBDTGKOPV-HUUCEWRRSA-N 1 0 380.286 1.760 20 0 GDADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000869281612 656189705 /nfs/dbraw/zinc/18/97/05/656189705.db2.gz IYIPQXPVVAOYBP-UHFFFAOYSA-N 1 0 384.274 1.795 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1sc(S(N)(=O)=O)cc1C ZINC000869766270 656206773 /nfs/dbraw/zinc/20/67/73/656206773.db2.gz ZNOABRHXKSJUME-UHFFFAOYSA-N 1 0 389.543 1.134 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)C(=O)CCn1cc(Br)cn1 ZINC000869768109 656206828 /nfs/dbraw/zinc/20/68/28/656206828.db2.gz ZMPDSOLTUBWIDA-UHFFFAOYSA-N 1 0 387.322 1.853 20 0 GDADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000869781829 656207668 /nfs/dbraw/zinc/20/76/68/656207668.db2.gz XZNCIBGXVFDHPW-LBPRGKRZSA-N 1 0 389.905 1.287 20 0 GDADRO CC[C@H](C[NH+](C)C)OC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000870555610 656239562 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O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000871818858 656283729 /nfs/dbraw/zinc/28/37/29/656283729.db2.gz PJOQSCYKOHTRLL-CABCVRRESA-N 1 0 378.560 1.043 20 0 GDADRO O=C(Nc1ccccc1S(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)C(F)(F)F ZINC000871820928 656284022 /nfs/dbraw/zinc/28/40/22/656284022.db2.gz XYDDKCUJHKVTDQ-TZMCWYRMSA-N 1 0 377.388 1.750 20 0 GDADRO [NH3+][C@@H](C[C@@H]1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1)C1CCCC1 ZINC000871823716 656284260 /nfs/dbraw/zinc/28/42/60/656284260.db2.gz RNOURMGKIGNBDQ-YOEHRIQHSA-N 1 0 392.587 1.513 20 0 GDADRO C[N@@H+]1CCn2nc(N[C@@H](C(N)=O)c3ccc(Br)cc3F)cc2C1 ZINC000871926908 656293970 /nfs/dbraw/zinc/29/39/70/656293970.db2.gz NSSCRPNFDCVYEX-CQSZACIVSA-N 1 0 382.237 1.869 20 0 GDADRO O=C1CNC(=O)N1CC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872062541 656318323 /nfs/dbraw/zinc/31/83/23/656318323.db2.gz MZNIETNFCKPBPG-WFASDCNBSA-N 1 0 382.258 1.668 20 0 GDADRO O=C1CNC(=O)N1CC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872062537 656318432 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O=C(c1csc(C(F)(F)F)c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302730 656322474 /nfs/dbraw/zinc/32/24/74/656322474.db2.gz KFEHPPXNSRKWHV-MXWKQRLJSA-N 1 0 375.372 1.774 20 0 GDADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)C1 ZINC000872295180 656322519 /nfs/dbraw/zinc/32/25/19/656322519.db2.gz PIABBNYJOUHIBR-ZCTGUTNYSA-N 1 0 378.270 1.576 20 0 GDADRO COC(=O)[C@@H](NS(=O)(=O)CCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000872543562 656354974 /nfs/dbraw/zinc/35/49/74/656354974.db2.gz PFKNTEOCAVAXFU-ZDUSSCGKSA-N 1 0 382.404 1.791 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)Cn1cc(I)cn1 ZINC000872632249 656368211 /nfs/dbraw/zinc/36/82/11/656368211.db2.gz XHXOTVHYBMFENC-UHFFFAOYSA-N 1 0 392.285 1.735 20 0 GDADRO CC1CC[NH+]([C@H](CNC(=O)N(C)CCS(N)(=O)=O)c2cccs2)CC1 ZINC000872792490 656377288 /nfs/dbraw/zinc/37/72/88/656377288.db2.gz UYBIAYVRCSYBQQ-CQSZACIVSA-N 1 0 388.559 1.451 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)C[C@H]1C(F)(F)F ZINC000873107418 656386874 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CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)cc1OC)C1CC1 ZINC000873717826 656406588 /nfs/dbraw/zinc/40/65/88/656406588.db2.gz GMYQNOAKLBOWGJ-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO CC(C)S(=O)(=O)N1CCC([NH2+]Cc2csc(-c3ccn(C)n3)n2)CC1 ZINC000921797561 656413041 /nfs/dbraw/zinc/41/30/41/656413041.db2.gz SDAGWJXYVPOVJW-UHFFFAOYSA-N 1 0 383.543 1.836 20 0 GDADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(N)nc(Br)c3)cn2)CC1 ZINC000873902261 656427398 /nfs/dbraw/zinc/42/73/98/656427398.db2.gz YZOXFQAEHJBYSB-UHFFFAOYSA-N 1 0 391.273 1.825 20 0 GDADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(N)nc(Br)c2)CC1 ZINC000874155271 656446343 /nfs/dbraw/zinc/44/63/43/656446343.db2.gz VKEDUWYDRYZYDK-UHFFFAOYSA-N 1 0 391.273 1.825 20 0 GDADRO Cc1cc(Br)ncc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000874174721 656448465 /nfs/dbraw/zinc/44/84/65/656448465.db2.gz SONUXHLMLAOGLL-AAEUAGOBSA-N 1 0 381.274 1.644 20 0 GDADRO Cc1cnc(Br)c(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000874177098 656448954 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Cn1nc2c(c1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)CSCC2 ZINC000922470342 656481157 /nfs/dbraw/zinc/48/11/57/656481157.db2.gz MXNBGEDYGVGSSC-UHFFFAOYSA-N 1 0 386.587 1.940 20 0 GDADRO C[S@](=O)Cc1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000922474436 656481677 /nfs/dbraw/zinc/48/16/77/656481677.db2.gz OXTZRXOJUVORPL-QLODZENZSA-N 1 0 381.567 1.944 20 0 GDADRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000922533600 656489498 /nfs/dbraw/zinc/48/94/98/656489498.db2.gz QRZYPIJIBUOOBR-HNNXBMFYSA-N 1 0 386.315 1.842 20 0 GDADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)c1ccc(Br)s1 ZINC000874831669 656489954 /nfs/dbraw/zinc/48/99/54/656489954.db2.gz AHBZYEQAPKWQML-GHMZBOCLSA-N 1 0 386.315 1.936 20 0 GDADRO COc1cc(Br)c(C[NH2+]C[C@]2(CO)COCCN2C)cc1OC ZINC000922537857 656490016 /nfs/dbraw/zinc/49/00/16/656490016.db2.gz BUDFGZJPBVKXOH-INIZCTEOSA-N 1 0 389.290 1.249 20 0 GDADRO Cn1cc(C[NH2+]CC2(C3(O)CCOCC3)CC2)c(I)n1 ZINC000922594784 656493561 /nfs/dbraw/zinc/49/35/61/656493561.db2.gz OCKLPZHQHCUSRU-UHFFFAOYSA-N 1 0 391.253 1.436 20 0 GDADRO COc1cc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)c(SC)cc1OC ZINC000922614555 656495722 /nfs/dbraw/zinc/49/57/22/656495722.db2.gz FVOSFPWCAYZSBT-MRXNPFEDSA-N 1 0 375.512 1.719 20 0 GDADRO O=C(NCc1ncc(Cl)s1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000874997482 656499466 /nfs/dbraw/zinc/49/94/66/656499466.db2.gz QLWDTPKGPSBAEQ-CYBMUJFWSA-N 1 0 378.885 1.803 20 0 GDADRO C[S@](=N)(=O)N1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000875004913 656501139 /nfs/dbraw/zinc/50/11/39/656501139.db2.gz YFGMTHIUYDHLHN-DLUDVSRJSA-N 1 0 385.559 1.804 20 0 GDADRO CN(CCS(N)(=O)=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000875024134 656502173 /nfs/dbraw/zinc/50/21/73/656502173.db2.gz OFYIYZHICAHODE-UHFFFAOYSA-N 1 0 388.921 1.234 20 0 GDADRO Cc1cc(CC[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)nn1C ZINC000922689444 656502204 /nfs/dbraw/zinc/50/22/04/656502204.db2.gz HJRXXQFANVTCCA-AWEZNQCLSA-N 1 0 385.921 1.579 20 0 GDADRO 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656586060 /nfs/dbraw/zinc/58/60/60/656586060.db2.gz OPUSPQUITHIQHS-SNVBAGLBSA-N 1 0 376.837 1.443 20 0 GDADRO O=C1O[C@@H](CNS(=O)(=O)c2c(Cl)ccnc2Cl)CC12CC[NH2+]CC2 ZINC000923684891 656586414 /nfs/dbraw/zinc/58/64/14/656586414.db2.gz RXBYNCHFQKXYQE-SECBINFHSA-N 1 0 394.280 1.352 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923689128 656588945 /nfs/dbraw/zinc/58/89/45/656588945.db2.gz QXQNLRXYFWYMHS-JOYOIKCWSA-N 1 0 393.278 1.969 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923713498 656594359 /nfs/dbraw/zinc/59/43/59/656594359.db2.gz WDJBBWQCGCPNFZ-WDEREUQCSA-N 1 0 375.288 1.688 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1F ZINC000923720855 656595167 /nfs/dbraw/zinc/59/51/67/656595167.db2.gz WJHDXCPIPIXROV-VHSXEESVSA-N 1 0 393.278 1.827 20 0 GDADRO O=c1[nH]cc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)s1 ZINC000923744972 656597324 /nfs/dbraw/zinc/59/73/24/656597324.db2.gz QOKVWZRZADJRMH-NWDGAFQWSA-N 1 0 381.479 1.520 20 0 GDADRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1nc(Br)ccc1C ZINC000876474299 656607331 /nfs/dbraw/zinc/60/73/31/656607331.db2.gz BHYZCPLWWLTOML-INIZCTEOSA-N 1 0 386.290 1.572 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)s1 ZINC000876570369 656615058 /nfs/dbraw/zinc/61/50/58/656615058.db2.gz BBPMPHSHOULFDO-IUCKJTJTSA-N 1 0 385.555 1.951 20 0 GDADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000876595254 656616750 /nfs/dbraw/zinc/61/67/50/656616750.db2.gz ARWYDGMSUFUQSS-ANSVFARNSA-N 1 0 383.539 1.429 20 0 GDADRO C[NH+](C)C[C@H](N)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000876653374 656621607 /nfs/dbraw/zinc/62/16/07/656621607.db2.gz NFFDBQBEHGVAKG-AWEZNQCLSA-N 1 0 390.347 1.566 20 0 GDADRO COC[C@]1(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C[NH2+]CCO1 ZINC000876686079 656623989 /nfs/dbraw/zinc/62/39/89/656623989.db2.gz OUVJSGTYTPHYGG-INIZCTEOSA-N 1 0 382.873 1.726 20 0 GDADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000876737071 656627655 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O=C(NCCc1nc(C(F)(F)F)cs1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884622655 657367981 /nfs/dbraw/zinc/36/79/81/657367981.db2.gz WDLFMFWNZFWHHF-NXEZZACHSA-N 1 0 376.404 1.174 20 0 GDADRO CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884644004 657368237 /nfs/dbraw/zinc/36/82/37/657368237.db2.gz AHOGMWBPDCEJOJ-FVCCEPFGSA-N 1 0 381.464 1.763 20 0 GDADRO COC[C@@H](NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000884682227 657370803 /nfs/dbraw/zinc/37/08/03/657370803.db2.gz UHVCIEOQMUPCCP-HUUCEWRRSA-N 1 0 398.301 1.511 20 0 GDADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000934734821 657372630 /nfs/dbraw/zinc/37/26/30/657372630.db2.gz HJZPGDOFISTXGF-UHFFFAOYSA-N 1 0 396.289 1.457 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1cccc(Br)c1 ZINC000884694485 657373539 /nfs/dbraw/zinc/37/35/39/657373539.db2.gz NZYSKEJYPOFBAF-LSDHHAIUSA-N 1 0 398.301 1.511 20 0 GDADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000884716851 657374836 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1.199 20 0 GDADRO O=C1OCCN1CCC[NH2+][C@H](CO)c1ccccc1I ZINC000934828063 657380896 /nfs/dbraw/zinc/38/08/96/657380896.db2.gz FWLGAAFTCNWFHO-CYBMUJFWSA-N 1 0 390.221 1.757 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)C[NH2+]1 ZINC000884819506 657381214 /nfs/dbraw/zinc/38/12/14/657381214.db2.gz GZQVVGDTSVZYJQ-ZJUUUORDSA-N 1 0 375.803 1.814 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCc2sccc2Br)CC1 ZINC000884908616 657385998 /nfs/dbraw/zinc/38/59/98/657385998.db2.gz WMUPXWMPWZWTFM-XYPYZODXSA-N 1 0 388.331 1.803 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)o1 ZINC000935012794 657391916 /nfs/dbraw/zinc/39/19/16/657391916.db2.gz OMDFENCXNDQJQI-GXFFZTMASA-N 1 0 387.889 1.669 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1F ZINC000884976866 657394998 /nfs/dbraw/zinc/39/49/98/657394998.db2.gz CKPRDFJQKWOGCJ-VXGBXAGGSA-N 1 0 381.757 1.873 20 0 GDADRO CC(C)[C@@H](CNS(=O)(=O)C[C@@H]1CCCC(C)(C)O1)N1CC[NH+](C)CC1 ZINC000885033617 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O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Br)cn2ncnc12 ZINC000935913594 657519000 /nfs/dbraw/zinc/51/90/00/657519000.db2.gz AZESRXDNDQPPQN-GFCCVEGCSA-N 1 0 382.262 1.068 20 0 GDADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Br)c2nccnc2c1 ZINC000935916170 657519177 /nfs/dbraw/zinc/51/91/77/657519177.db2.gz VRUJLODGISOUNX-CYBMUJFWSA-N 1 0 393.285 1.969 20 0 GDADRO Cn1c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc2cc(Br)cnc21 ZINC000935983204 657534561 /nfs/dbraw/zinc/53/45/61/657534561.db2.gz AMXDXYLYSCLWJP-CYBMUJFWSA-N 1 0 381.274 1.522 20 0 GDADRO CO[C@@H]1CN(C(=O)c2ccsc2Cl)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000942003966 657555287 /nfs/dbraw/zinc/55/52/87/657555287.db2.gz NILJVFQIHVHVHL-HBJVGIJOSA-N 1 0 385.917 1.697 20 0 GDADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3cscc3Cl)[C@@H](O)C2)CC[N@@H+]1C ZINC000966878594 657582058 /nfs/dbraw/zinc/58/20/58/657582058.db2.gz DKJHDHORHJHMLR-QOWREQOWSA-N 1 0 385.917 1.433 20 0 GDADRO Cn1ccn2c(CC[NH2+]Cc3cccc(F)c3Br)nnc2c1=O ZINC000886282818 657634803 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GDADRO C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000886735092 657685917 /nfs/dbraw/zinc/68/59/17/657685917.db2.gz XCNHYGNITRTNMU-LBPRGKRZSA-N 1 0 375.516 1.133 20 0 GDADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886805956 657697046 /nfs/dbraw/zinc/69/70/46/657697046.db2.gz LRVUMHRVJSJFDB-WEKMIXOTSA-N 1 0 382.404 1.213 20 0 GDADRO COCCOc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)cc1Br ZINC000886882032 657715049 /nfs/dbraw/zinc/71/50/49/657715049.db2.gz BTKMEHGQZJTIPR-NSHDSACASA-N 1 0 393.303 1.505 20 0 GDADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000886884060 657716408 /nfs/dbraw/zinc/71/64/08/657716408.db2.gz UGUJLRAAECFQMP-AWEZNQCLSA-N 1 0 376.320 1.162 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N[C@@H](C)CCC[NH3+])cc1Br ZINC000886886780 657717529 /nfs/dbraw/zinc/71/75/29/657717529.db2.gz SBUHVPCQKHTHEG-NSHDSACASA-N 1 0 395.319 1.880 20 0 GDADRO COCCOc1ccc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc1Br ZINC000886889570 657718940 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Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000887035252 657741266 /nfs/dbraw/zinc/74/12/66/657741266.db2.gz JWAZNZDCWWXTJD-SECBINFHSA-N 1 0 391.216 1.452 20 0 GDADRO CCN(C(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000887068815 657748361 /nfs/dbraw/zinc/74/83/61/657748361.db2.gz RZNRLRQNPZNPEP-LBPRGKRZSA-N 1 0 386.265 1.757 20 0 GDADRO CNC(=O)C1([NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000887086645 657754185 /nfs/dbraw/zinc/75/41/85/657754185.db2.gz YPOVDFLLMMPFRR-HSZRJFAPSA-N 1 0 379.309 1.986 20 0 GDADRO C[N@H+](CCCF)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000887139763 657755830 /nfs/dbraw/zinc/75/58/30/657755830.db2.gz CNLHIKSTYILTDU-UHFFFAOYSA-N 1 0 391.896 1.464 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(Cn4cc(Br)cn4)on3)C[C@]2(C)C1 ZINC000887930692 657849400 /nfs/dbraw/zinc/84/94/00/657849400.db2.gz TUGDFJKBXJPDFF-BZNIZROVSA-N 1 0 394.273 1.706 20 0 GDADRO C[NH+]1CCC2(CCN2C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC000889219824 657985540 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GDADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H](C)C1(Br)CC1)CCS2(=O)=O ZINC000903452771 659316206 /nfs/dbraw/zinc/31/62/06/659316206.db2.gz QMBCOIRDZBKBOE-WDBLDGLGSA-N 1 0 394.331 1.791 20 0 GDADRO CN(CCOCC[NH3+])S(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC000903511986 659321969 /nfs/dbraw/zinc/32/19/69/659321969.db2.gz HJRAXPNRMDSXJH-UHFFFAOYSA-N 1 0 376.276 1.526 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1F ZINC000903517563 659324964 /nfs/dbraw/zinc/32/49/64/659324964.db2.gz FLKGLRQOCLLORP-SCZZXKLOSA-N 1 0 381.267 1.873 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903518478 659325333 /nfs/dbraw/zinc/32/53/33/659325333.db2.gz OYIJZTVSZVKFPM-CABZTGNLSA-N 1 0 391.287 1.738 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)c1F ZINC000903519219 659326875 /nfs/dbraw/zinc/32/68/75/659326875.db2.gz UDWCLEMNGOLLPZ-ZDUSSCGKSA-N 1 0 381.267 1.956 20 0 GDADRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903521697 659328222 /nfs/dbraw/zinc/32/82/22/659328222.db2.gz CSSDQFHODYOUKB-RKDXNWHRSA-N 1 0 379.276 1.723 20 0 GDADRO CC(=O)N1CCc2sc(S(=O)(=O)N3CCC[C@@H]4CC[C@@]43C[NH3+])cc2C1 ZINC000903532137 659331580 /nfs/dbraw/zinc/33/15/80/659331580.db2.gz UHLWYEQIDYYXEV-RHSMWYFYSA-N 1 0 383.539 1.545 20 0 GDADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)c1cc(C)c(Cl)s1)C2 ZINC000903551230 659338314 /nfs/dbraw/zinc/33/83/14/659338314.db2.gz AJXPZKGBLYJBIO-RBZYPMLTSA-N 1 0 378.903 1.611 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000903554017 659339377 /nfs/dbraw/zinc/33/93/77/659339377.db2.gz HDHNBTADQXNMGN-GFCCVEGCSA-N 1 0 391.287 1.512 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)c(Cl)s1 ZINC000903557960 659340336 /nfs/dbraw/zinc/34/03/36/659340336.db2.gz JZOIULCTAMNGBP-UHFFFAOYSA-N 1 0 398.959 1.616 20 0 GDADRO COC(=O)c1ccc(Br)cc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903563021 659341996 /nfs/dbraw/zinc/34/19/96/659341996.db2.gz NIZWAILUYRLKIL-ADEWGFFLSA-N 1 0 389.271 1.407 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC000903565762 659343194 /nfs/dbraw/zinc/34/31/94/659343194.db2.gz DDEGJZWVNYRFRG-UHFFFAOYSA-N 1 0 392.319 1.159 20 0 GDADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1OC ZINC000903571291 659345097 /nfs/dbraw/zinc/34/50/97/659345097.db2.gz WADXYOAGYPWZPW-KYZUINATSA-N 1 0 379.276 1.482 20 0 GDADRO COC(=O)c1ccc(C)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903578263 659349315 /nfs/dbraw/zinc/34/93/15/659349315.db2.gz DUBBGFYHSHAHBW-NWDGAFQWSA-N 1 0 380.388 1.682 20 0 GDADRO Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C3)cc12 ZINC000903579705 659350251 /nfs/dbraw/zinc/35/02/51/659350251.db2.gz PDGADAHOBHTUKB-NEPJUHHUSA-N 1 0 377.392 1.177 20 0 GDADRO [NH3+][C@@H]1CN(S(=O)(=O)c2nc[nH]c2Br)CC[C@H]1C(F)(F)F ZINC000903581252 659351826 /nfs/dbraw/zinc/35/18/26/659351826.db2.gz CTEWPGCZNXCFLR-PHDIDXHHSA-N 1 0 377.186 1.072 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000903584725 659353769 /nfs/dbraw/zinc/35/37/69/659353769.db2.gz QQRPAKYJPPUSOS-LBPRGKRZSA-N 1 0 391.287 1.594 20 0 GDADRO CC1(C)CN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C[C@H]1[NH3+] ZINC000903587522 659354946 /nfs/dbraw/zinc/35/49/46/659354946.db2.gz VVRPYGGZOQDPQE-CYBMUJFWSA-N 1 0 380.919 1.242 20 0 GDADRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000903587842 659355586 /nfs/dbraw/zinc/35/55/86/659355586.db2.gz CCLMOJDUNMJXEA-QMMMGPOBSA-N 1 0 389.250 1.638 20 0 GDADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000903590556 659356356 /nfs/dbraw/zinc/35/63/56/659356356.db2.gz ZTFDWQYPCXNTSP-UHFFFAOYSA-N 1 0 393.303 1.854 20 0 GDADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1cc(Br)cnc1Cl ZINC000903592999 659357215 /nfs/dbraw/zinc/35/72/15/659357215.db2.gz UKQVLTHDXXWDLD-UFBFGSQYSA-N 1 0 380.695 1.999 20 0 GDADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903593791 659357574 /nfs/dbraw/zinc/35/75/74/659357574.db2.gz VWHMWTVSJGOJKY-AWEZNQCLSA-N 1 0 375.288 1.974 20 0 GDADRO CS(=O)(=O)c1cc(S(=O)(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c(Cl)s1 ZINC000903611301 659362308 /nfs/dbraw/zinc/36/23/08/659362308.db2.gz NZHJVKMRGDLFKA-UFBFGSQYSA-N 1 0 384.932 1.225 20 0 GDADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000903628442 659364382 /nfs/dbraw/zinc/36/43/82/659364382.db2.gz PATHYIKMBCJFFJ-ROYPQONJSA-N 1 0 386.543 1.422 20 0 GDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903720505 659377860 /nfs/dbraw/zinc/37/78/60/659377860.db2.gz NYXBJJORDQVWGU-RKDXNWHRSA-N 1 0 398.179 1.349 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C[C@H]1[NH3+] ZINC000903791593 659380699 /nfs/dbraw/zinc/38/06/99/659380699.db2.gz HYEUQQMCOQUNTL-NOZJJQNGSA-N 1 0 384.249 1.279 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903792870 659380809 /nfs/dbraw/zinc/38/08/09/659380809.db2.gz UBCVNMQQCOANOA-SNVBAGLBSA-N 1 0 384.249 1.280 20 0 GDADRO 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399.232 1.488 20 0 GDADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000906788754 659588839 /nfs/dbraw/zinc/58/88/39/659588839.db2.gz MNRZIBUGDWNYJR-UHFFFAOYSA-N 1 0 396.282 1.307 20 0 GDADRO COCCN1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)C1 ZINC000906925102 659619359 /nfs/dbraw/zinc/61/93/59/659619359.db2.gz KVQRWDFGDGNSOM-JTQLQIEISA-N 1 0 380.850 1.109 20 0 GDADRO CN(CC(C)(C)CN1CCOCC1)C(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC000907109490 659669513 /nfs/dbraw/zinc/66/95/13/659669513.db2.gz QTDKASZRGJZVSM-NSHDSACASA-N 1 0 375.724 1.924 20 0 GDADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000907431390 659752103 /nfs/dbraw/zinc/75/21/03/659752103.db2.gz GDCJRSQTYWIQDU-ZIAGYGMSSA-N 1 0 385.555 1.577 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccn2ncc(Br)c12 ZINC000907456522 659755606 /nfs/dbraw/zinc/75/56/06/659755606.db2.gz NIWWTHLGYODJIM-ZDUSSCGKSA-N 1 0 394.317 1.853 20 0 GDADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](O)c1cccc(Br)c1 ZINC000907458164 659756296 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O=C([C@H]1CCCO1)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nn[nH]n3)c(F)c1)C2 ZINC001571268121 945587638 /nfs/dbraw/zinc/58/76/38/945587638.db2.gz AIMUDKOBPUCKAY-MRXNPFEDSA-N 1 0 386.431 1.219 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)CCc1c(C)nc2c(-c3nn[nH]n3)cnn2c1C ZINC000821094678 945634335 /nfs/dbraw/zinc/63/43/35/945634335.db2.gz NZQBVTQBKVMVLF-UHFFFAOYSA-N 1 0 399.503 1.307 20 0 GDADRO CC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1[NH2+]Cc1cncs1 ZINC001571271379 945642894 /nfs/dbraw/zinc/64/28/94/945642894.db2.gz BCRKHUNDWXJDHX-BXUZGUMPSA-N 1 0 386.485 1.682 20 0 GDADRO CCCc1n[nH]cc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271554 945645011 /nfs/dbraw/zinc/64/50/11/945645011.db2.gz DIKMQICOJKYAOD-NSHDSACASA-N 1 0 386.485 1.608 20 0 GDADRO Cc1cnc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)s1 ZINC001571271598 945646200 /nfs/dbraw/zinc/64/62/00/945646200.db2.gz FJXMVPWQCXLXDT-RYUDHWBXSA-N 1 0 386.485 1.600 20 0 GDADRO Cc1ncsc1C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571271650 945646775 /nfs/dbraw/zinc/64/67/75/945646775.db2.gz GLSWHOYMCRGONA-GFCCVEGCSA-N 1 0 386.485 1.696 20 0 GDADRO CC[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[nH]n2)c(C)n1)[NH+](C)C ZINC001571271679 945648469 /nfs/dbraw/zinc/64/84/69/945648469.db2.gz HCXOAWWTWWUNPG-GOEBONIOSA-N 1 0 386.504 1.703 20 0 GDADRO Cc1ncsc1C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001571271699 945648777 /nfs/dbraw/zinc/64/87/77/945648777.db2.gz HNDAWZLXUCVEBO-JQWIXIFHSA-N 1 0 386.485 1.458 20 0 GDADRO Cc1nc(C)c(C[N@@H+]2CC[C@@](C)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571271795 945649851 /nfs/dbraw/zinc/64/98/51/945649851.db2.gz JUVDIVIUXNZTMH-QGZVFWFLSA-N 1 0 386.485 1.663 20 0 GDADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[nH]n2)c1 ZINC000821198398 945653044 /nfs/dbraw/zinc/65/30/44/945653044.db2.gz UAOLSEOTOQZTFY-UHFFFAOYSA-N 1 0 383.460 1.764 20 0 GDADRO CCO[C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571271957 945654744 /nfs/dbraw/zinc/65/47/44/945654744.db2.gz NBEASHNADPRDLK-ZTFGCOKTSA-N 1 0 386.500 1.866 20 0 GDADRO Cc1nc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C)c(C)s1 ZINC001571272662 945666968 /nfs/dbraw/zinc/66/69/68/945666968.db2.gz YDZJENDUBLZDOU-NOZJJQNGSA-N 1 0 386.485 1.661 20 0 GDADRO COc1nc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)co1 ZINC001571274325 945694395 /nfs/dbraw/zinc/69/43/95/945694395.db2.gz FZRSYJFZQZUERN-NSHDSACASA-N 1 0 387.375 1.007 20 0 GDADRO Cc1[nH]nc(Cl)c1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571274380 945697529 /nfs/dbraw/zinc/69/75/29/945697529.db2.gz GIGDPUDZQFNLMB-CYBMUJFWSA-N 1 0 386.847 1.556 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001571277656 945745312 /nfs/dbraw/zinc/74/53/12/945745312.db2.gz RJVLKJWQFBAJSX-GFCCVEGCSA-N 1 0 387.394 1.725 20 0 GDADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821635230 945762430 /nfs/dbraw/zinc/76/24/30/945762430.db2.gz RZDZUFSGZRJDSS-SFHVURJKSA-N 1 0 375.436 1.795 20 0 GDADRO Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)s1 ZINC001571281575 945807564 /nfs/dbraw/zinc/80/75/64/945807564.db2.gz IYBCMILZOZMVIM-SECBINFHSA-N 1 0 387.473 1.310 20 0 GDADRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1nccs1 ZINC001571281830 945816309 /nfs/dbraw/zinc/81/63/09/945816309.db2.gz AQRGANXFJRGQML-MJHDQNEOSA-N 1 0 387.444 1.761 20 0 GDADRO Cc1ncc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)o1 ZINC001571282042 945826400 /nfs/dbraw/zinc/82/64/00/945826400.db2.gz RJEZXSSFPDBKNH-IINYFYTJSA-N 1 0 387.469 1.546 20 0 GDADRO Cc1cc(CCC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)no1 ZINC001571282205 945834931 /nfs/dbraw/zinc/83/49/31/945834931.db2.gz UOYHBFZTIIRRIE-CYBMUJFWSA-N 1 0 387.469 1.548 20 0 GDADRO CC1(C)CO[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001571282424 945842745 /nfs/dbraw/zinc/84/27/45/945842745.db2.gz XZTZVNSNQAIBLN-KKUMJFAQSA-N 1 0 387.488 1.641 20 0 GDADRO CC(=O)N[C@](C)(C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573452165 945846660 /nfs/dbraw/zinc/84/66/60/945846660.db2.gz BMNCOQDIOLVVFJ-YJYMSZOUSA-N 1 0 387.488 1.012 20 0 GDADRO CC(=O)NC(C)(C)C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573457712 945907344 /nfs/dbraw/zinc/90/73/44/945907344.db2.gz ZGDKURCSPLKPIT-UHFFFAOYSA-N 1 0 387.488 1.062 20 0 GDADRO CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573458923 945910879 /nfs/dbraw/zinc/91/08/79/945910879.db2.gz AYMVVVHXMHVBJM-QWHCGFSZSA-N 1 0 387.488 1.154 20 0 GDADRO O=C(c1n[nH]cc1F)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571285333 945913687 /nfs/dbraw/zinc/91/36/87/945913687.db2.gz BGCZBCRHBOCRMS-UHFFFAOYSA-N 1 0 388.382 1.262 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CN1C(=O)c1cnsn1 ZINC001571286873 945959663 /nfs/dbraw/zinc/95/96/63/945959663.db2.gz UHJOBSOKGSVCNW-JOYOIKCWSA-N 1 0 388.432 1.250 20 0 GDADRO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000822145310 945966356 /nfs/dbraw/zinc/96/63/56/945966356.db2.gz QGEREEMHVXHZHH-CVEARBPZSA-N 1 0 390.513 1.811 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1)C1CCOCC1 ZINC001571288510 945987645 /nfs/dbraw/zinc/98/76/45/945987645.db2.gz PTJWCDPXPRPDLO-MRXNPFEDSA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)C1CCOCC1 ZINC001571289304 946000206 /nfs/dbraw/zinc/00/02/06/946000206.db2.gz ZILHPDJLICGDOQ-YVEFUNNKSA-N 1 0 388.447 1.511 20 0 GDADRO CN(C(=O)C1(F)CCOCC1)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571289306 946001960 /nfs/dbraw/zinc/00/19/60/946001960.db2.gz ZKLBCTDGEFIOFB-INIZCTEOSA-N 1 0 388.447 1.418 20 0 GDADRO Cc1nonc1C(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289421 946007377 /nfs/dbraw/zinc/00/73/77/946007377.db2.gz CRZLKNVKVDWVTF-KOLCDFICSA-N 1 0 388.457 1.118 20 0 GDADRO Cc1ccccc1NC(=O)CC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000822361977 946071323 /nfs/dbraw/zinc/07/13/23/946071323.db2.gz LYUYVFKJKPNRJC-UHFFFAOYSA-N 1 0 392.467 1.721 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1csc(Cl)n1 ZINC001571295124 946154452 /nfs/dbraw/zinc/15/44/52/946154452.db2.gz UHZJCEAYTJENST-LBPRGKRZSA-N 1 0 389.872 1.981 20 0 GDADRO COc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)cc1 ZINC001571295689 946171222 /nfs/dbraw/zinc/17/12/22/946171222.db2.gz CHEJGTTVYFPEQQ-BWTSREIZSA-N 1 0 390.447 1.736 20 0 GDADRO O=C(NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CCc2cccnc21 ZINC001571298217 946209617 /nfs/dbraw/zinc/20/96/17/946209617.db2.gz KCSFAYRZDIDURI-PESDSKBTSA-N 1 0 390.451 1.115 20 0 GDADRO CO[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C(C)C ZINC001571298498 946218987 /nfs/dbraw/zinc/21/89/87/946218987.db2.gz PLUVKZNPALVDMT-PBHICJAKSA-N 1 0 390.463 1.757 20 0 GDADRO Cc1cc(N2CC[C@@]3(NC(=O)c4cccnc4)CCC[C@H]23)c(-c2nn[nH]n2)c[nH+]1 ZINC001571298856 946230068 /nfs/dbraw/zinc/23/00/68/946230068.db2.gz LAOXQZHWOVCMCR-PXNSSMCTSA-N 1 0 390.451 1.897 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)SC)C1 ZINC001571299063 946238946 /nfs/dbraw/zinc/23/89/46/946238946.db2.gz IAWFFAVWGSWWDW-IUODEOHRSA-N 1 0 390.513 1.707 20 0 GDADRO CO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571299260 946242683 /nfs/dbraw/zinc/24/26/83/946242683.db2.gz KCAGUFIUENCKDT-LXIYXOSZSA-N 1 0 390.513 1.681 20 0 GDADRO O=C(C[C@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571300181 946273709 /nfs/dbraw/zinc/27/37/09/946273709.db2.gz WIXLLGCVMISWTA-ZIAGYGMSSA-N 1 0 390.513 1.683 20 0 GDADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(-c2nn[nH]n2)c1Br ZINC001571301848 946284575 /nfs/dbraw/zinc/28/45/75/946284575.db2.gz FSPAJCOJKJPQLR-LLVKDONJSA-N 1 0 391.273 1.843 20 0 GDADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(-c2nn[nH]n2)c1Br ZINC001571302241 946297505 /nfs/dbraw/zinc/29/75/05/946297505.db2.gz SDFFVIIZJRUXTM-WDEREUQCSA-N 1 0 391.273 1.986 20 0 GDADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823171064 946335629 /nfs/dbraw/zinc/33/56/29/946335629.db2.gz NODJPLLXEVKZMV-HXUWFJFHSA-N 1 0 378.436 1.234 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCCN1C(=O)c1cncnc1 ZINC001571310656 946478092 /nfs/dbraw/zinc/47/80/92/946478092.db2.gz LXFGLLBDXYEEMU-KBXCAEBGSA-N 1 0 392.467 1.830 20 0 GDADRO CCc1cccnc1C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571313035 946511038 /nfs/dbraw/zinc/51/10/38/946511038.db2.gz IJYTZINEMSURHZ-OAHLLOKOSA-N 1 0 392.467 1.666 20 0 GDADRO CC(=O)NCC1CC[NH+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000823993843 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OCJFXOJDNJICPT-WBVHZDCISA-N 1 0 392.467 1.653 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C23CCC3)n1 ZINC001571316132 946566168 /nfs/dbraw/zinc/56/61/68/946566168.db2.gz USFXGJAVQWGNNV-HOTGVXAUSA-N 1 0 392.467 1.729 20 0 GDADRO Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C23CCC3)n1 ZINC001571316159 946568852 /nfs/dbraw/zinc/56/88/52/946568852.db2.gz VCLLJLBWYFQXHH-JKSUJKDBSA-N 1 0 392.467 1.729 20 0 GDADRO Cc1ncncc1C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571316444 946576268 /nfs/dbraw/zinc/57/62/68/946576268.db2.gz CQZADDGODYIWTR-CRAIPNDOSA-N 1 0 392.467 1.653 20 0 GDADRO Cc1cccnc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571316461 946576619 /nfs/dbraw/zinc/57/66/19/946576619.db2.gz CXQZVXJBYPKXHJ-CVEARBPZSA-N 1 0 392.467 1.777 20 0 GDADRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC000824077653 946576926 /nfs/dbraw/zinc/57/69/26/946576926.db2.gz CRAZUQQOMQHSNY-USXIJHARSA-N 1 0 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392.467 1.118 20 0 GDADRO OC[C@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCOCC1 ZINC000826507969 948427038 /nfs/dbraw/zinc/42/70/38/948427038.db2.gz ZTLBBGHKMGLQIB-IBGZPJMESA-N 1 0 386.500 1.208 20 0 GDADRO c1cc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)cc(-c2nn[nH]n2)c1 ZINC000826515556 948442725 /nfs/dbraw/zinc/44/27/25/948442725.db2.gz CDPZFAMTDDWGFY-UHFFFAOYSA-N 1 0 393.495 1.986 20 0 GDADRO C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573708115 948443197 /nfs/dbraw/zinc/44/31/97/948443197.db2.gz RLQSNPBRMAZHQE-CQSZACIVSA-N 1 0 380.456 1.657 20 0 GDADRO C[C@@H](C(=O)NCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1)[C@@H]1CCCO1 ZINC001573720915 948536472 /nfs/dbraw/zinc/53/64/72/948536472.db2.gz SVVUBUDDFPBIEJ-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C(F)(F)F ZINC001573747315 948688225 /nfs/dbraw/zinc/68/82/25/948688225.db2.gz NEZQUDHYSPUTAS-IEBDPFPHSA-N 1 0 386.353 1.941 20 0 GDADRO 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ZINC001574433869 948966082 /nfs/dbraw/zinc/96/60/82/948966082.db2.gz UJBRUUIMUKTGJJ-ZDUSSCGKSA-N 1 0 382.472 1.632 20 0 GDADRO C[C@H](CNC(=O)C[N@H+](C)C1CCC1)CNc1cccc(F)c1-c1nn[nH]n1 ZINC001574926449 949002768 /nfs/dbraw/zinc/00/27/68/949002768.db2.gz QOPISBHKDSAGMV-LBPRGKRZSA-N 1 0 375.452 1.654 20 0 GDADRO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)C1CC1 ZINC001573774140 949004273 /nfs/dbraw/zinc/00/42/73/949004273.db2.gz RAEKXIVECJLQNP-SJORKVTESA-N 1 0 384.484 1.354 20 0 GDADRO C[C@@H](Oc1cccnc1)C(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001575501368 949006255 /nfs/dbraw/zinc/00/62/55/949006255.db2.gz HGPCFHBTBJCACB-CQSZACIVSA-N 1 0 381.440 1.277 20 0 GDADRO CC(C)c1nocc1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574440669 949033320 /nfs/dbraw/zinc/03/33/20/949033320.db2.gz BVSLJDIIHCBDOA-HNNXBMFYSA-N 1 0 381.440 1.982 20 0 GDADRO CC(C)(C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)c1cccnc1 ZINC001573775236 949036063 /nfs/dbraw/zinc/03/60/63/949036063.db2.gz UQZHAQVAIREOQJ-UHFFFAOYSA-N 1 0 392.467 1.507 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575246677 949041108 /nfs/dbraw/zinc/04/11/08/949041108.db2.gz HLOXAZOAMSVWIT-CHWSQXEVSA-N 1 0 387.488 1.012 20 0 GDADRO CC(C)c1nsc(C[NH2+][C@@H](C)CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574440983 949049499 /nfs/dbraw/zinc/04/94/99/949049499.db2.gz CNPHURAXQOQRLF-JTQLQIEISA-N 1 0 389.489 1.468 20 0 GDADRO C[C@@H](F)CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001575247964 949055411 /nfs/dbraw/zinc/05/54/11/949055411.db2.gz MFUPKBKKTPWMEZ-CYBMUJFWSA-N 1 0 391.451 1.250 20 0 GDADRO CC(C)(C(=O)NC[C@@H]1CCCN1c1ncccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573779486 949062944 /nfs/dbraw/zinc/06/29/44/949062944.db2.gz JUNGKFSQBGWUJA-AWEZNQCLSA-N 1 0 384.488 1.221 20 0 GDADRO CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCC1 ZINC001574694372 949073622 /nfs/dbraw/zinc/07/36/22/949073622.db2.gz OJGNJDSPPKWWOR-BBRMVZONSA-N 1 0 387.492 1.036 20 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949183967 /nfs/dbraw/zinc/18/39/67/949183967.db2.gz SSNSJCGYGBYICN-QWHCGFSZSA-N 1 0 387.488 1.442 20 0 GDADRO C[C@@H](CNC(=O)COc1ccsc1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574935021 949190689 /nfs/dbraw/zinc/19/06/89/949190689.db2.gz XCHPQDIGOSLPCU-NSHDSACASA-N 1 0 390.444 1.741 20 0 GDADRO CC(C)c1oncc1C(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574450262 949208076 /nfs/dbraw/zinc/20/80/76/949208076.db2.gz XWPMNNKAMNXTDK-UHFFFAOYSA-N 1 0 384.444 1.972 20 0 GDADRO C[C@H](C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1)[NH+]1CCCCCC1 ZINC001574699059 949221151 /nfs/dbraw/zinc/22/11/51/949221151.db2.gz RXXXTKRGCWGDPV-UONOGXRCSA-N 1 0 387.492 1.180 20 0 GDADRO CC(C)c1oncc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574451247 949222752 /nfs/dbraw/zinc/22/27/52/949222752.db2.gz ICFFNGBYFGBVPV-SNVBAGLBSA-N 1 0 375.458 1.948 20 0 GDADRO C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576151511 949225130 /nfs/dbraw/zinc/22/51/30/949225130.db2.gz GCRIOWRJWBYOCH-KBXIAJHMSA-N 1 0 385.472 1.338 20 0 GDADRO C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575255314 949225484 /nfs/dbraw/zinc/22/54/84/949225484.db2.gz ZEIJDOZPUXBWJV-KBPBESRZSA-N 1 0 386.504 1.831 20 0 GDADRO C[C@H](CNC(=O)Cc1ccccc1F)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574940632 949274783 /nfs/dbraw/zinc/27/47/83/949274783.db2.gz HSMXRYGUGKJBHB-GFCCVEGCSA-N 1 0 386.406 1.982 20 0 GDADRO CC(C)n1cc(C(=O)N[C@H]2C[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001574455177 949302621 /nfs/dbraw/zinc/30/26/21/949302621.db2.gz MFPKYIFTCWSOQH-MQMHXKEQSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@H](CNC(=O)Cc1ccc2c(c1)CCO2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574941551 949309311 /nfs/dbraw/zinc/30/93/11/949309311.db2.gz RUKRFLGZAIAQRM-CQSZACIVSA-N 1 0 392.463 1.639 20 0 GDADRO C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575259139 949317640 /nfs/dbraw/zinc/31/76/40/949317640.db2.gz MKSBJJGYRINJJZ-ZFWWWQNUSA-N 1 0 383.456 1.330 20 0 GDADRO C[C@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574703449 949327235 /nfs/dbraw/zinc/32/72/35/949327235.db2.gz BXFSLPDCGNDOFJ-CYBMUJFWSA-N 1 0 378.440 1.069 20 0 GDADRO CC(C)n1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001574457606 949329485 /nfs/dbraw/zinc/32/94/85/949329485.db2.gz KYYMZHPIXSOYAX-INIZCTEOSA-N 1 0 380.456 1.648 20 0 GDADRO CC(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574109822 949332040 /nfs/dbraw/zinc/33/20/40/949332040.db2.gz DOYAFJWKAHQACR-GUYCJALGSA-N 1 0 390.463 1.757 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@@]1(C)CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574703589 949336956 /nfs/dbraw/zinc/33/69/56/949336956.db2.gz WORIWIFGNKFBLZ-SGTLLEGYSA-N 1 0 376.436 1.369 20 0 GDADRO CC(C)n1ccc(C(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)n1 ZINC001574458663 949345140 /nfs/dbraw/zinc/34/51/40/949345140.db2.gz WNCZAQMGVCBSOB-UHFFFAOYSA-N 1 0 381.444 1.178 20 0 GDADRO CC(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574110240 949356116 /nfs/dbraw/zinc/35/61/16/949356116.db2.gz WACWIYJEZBHXKR-GUYCJALGSA-N 1 0 390.463 1.757 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C2CC2)n1 ZINC001574460654 949376292 /nfs/dbraw/zinc/37/62/92/949376292.db2.gz VWXZAUWVXNGPHQ-MRXNPFEDSA-N 1 0 383.460 1.270 20 0 GDADRO C[C@H](NC(=O)CC(C)(C)C)C(=O)NCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575263834 949412115 /nfs/dbraw/zinc/41/21/15/949412115.db2.gz KASKMIWGPIIIII-ZDUSSCGKSA-N 1 0 387.488 1.013 20 0 GDADRO CC(C)n1cnc(C(=O)N2C[C@@H](C)[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001574464342 949412771 /nfs/dbraw/zinc/41/27/71/949412771.db2.gz LPLMPNIRAJNQPJ-IUODEOHRSA-N 1 0 381.444 1.034 20 0 GDADRO C[C@@H](CNC(=O)Cc1cscn1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574946192 949429336 /nfs/dbraw/zinc/42/93/36/949429336.db2.gz SPTSJDFCUQUMGO-JTQLQIEISA-N 1 0 375.433 1.299 20 0 GDADRO CC1(C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575535529 949448055 /nfs/dbraw/zinc/44/80/55/949448055.db2.gz YEIMVWNPTCSCBD-OAHLLOKOSA-N 1 0 384.484 1.622 20 0 GDADRO CC1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575535528 949449265 /nfs/dbraw/zinc/44/92/65/949449265.db2.gz YEIMVWNPTCSCBD-HNNXBMFYSA-N 1 0 384.484 1.622 20 0 GDADRO C[C@@H]1CCC[C@@H](OCC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576156603 949451608 /nfs/dbraw/zinc/45/16/08/949451608.db2.gz YUAICPIWOYRCTE-ZIAGYGMSSA-N 1 0 385.472 1.340 20 0 GDADRO CC(C)n1nccc1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574469751 949480838 /nfs/dbraw/zinc/48/08/38/949480838.db2.gz GOBVFFUTAISWFY-UHFFFAOYSA-N 1 0 380.456 1.506 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574469840 949486623 /nfs/dbraw/zinc/48/66/23/949486623.db2.gz IDTXYCIPDFKZLT-BETUJISGSA-N 1 0 381.444 1.082 20 0 GDADRO C[C@@H]1CCCC[C@]1(C[NH2+]Cc1ccon1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576157541 949486787 /nfs/dbraw/zinc/48/67/87/949486787.db2.gz RHNSVZTUCOOFGU-KZULUSFZSA-N 1 0 384.444 1.651 20 0 GDADRO CC(C)n1nccc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574470043 949488524 /nfs/dbraw/zinc/48/85/24/949488524.db2.gz LCOBUINEXMPPGQ-GFCCVEGCSA-N 1 0 386.435 1.691 20 0 GDADRO C[C@@H](NC(=O)CC(F)(F)F)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575266810 949490082 /nfs/dbraw/zinc/49/00/82/949490082.db2.gz FEHRCSPEKLKLSF-SECBINFHSA-N 1 0 386.353 1.895 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574708471 949492533 /nfs/dbraw/zinc/49/25/33/949492533.db2.gz VPDTUNDPPHOJNA-ZIAGYGMSSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCCOC1 ZINC001575537436 949494833 /nfs/dbraw/zinc/49/48/33/949494833.db2.gz UUTGWSFFNODLCY-KXBFYZLASA-N 1 0 388.447 1.513 20 0 GDADRO C[C@H](CN(C)C(=O)[C@H]1CCc2cccnc21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574710938 949516664 /nfs/dbraw/zinc/51/66/64/949516664.db2.gz CGIHXZVBQMBQLH-KDOFPFPSSA-N 1 0 391.479 1.928 20 0 GDADRO C[C@H](CN(C)C(=O)C1CCOCC1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574710961 949523178 /nfs/dbraw/zinc/52/31/78/949523178.db2.gz CPRWORRGFAGECU-GFCCVEGCSA-N 1 0 376.436 1.369 20 0 GDADRO C[C@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575538895 949533656 /nfs/dbraw/zinc/53/36/56/949533656.db2.gz KOCKGYLWEBDLKU-PXAZEXFGSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575269319 949547110 /nfs/dbraw/zinc/54/71/10/949547110.db2.gz UDLADNTZGOKCKI-NEPJUHHUSA-N 1 0 390.467 1.438 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1snc(Cl)c1-c1nn[nH]n1 ZINC001574955093 949561659 /nfs/dbraw/zinc/56/16/59/949561659.db2.gz BCOAKFZCZPDOCT-IVZWLZJFSA-N 1 0 398.924 1.258 20 0 GDADRO CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C ZINC001574124410 949569123 /nfs/dbraw/zinc/56/91/23/949569123.db2.gz HAILSFLOXWURME-COXVUDFISA-N 1 0 399.499 1.093 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574956162 949570266 /nfs/dbraw/zinc/57/02/66/949570266.db2.gz GKWHXBYULJJYAY-KTUBUYFOSA-N 1 0 388.497 1.288 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)COCC2CC2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575873255 949570516 /nfs/dbraw/zinc/57/05/16/949570516.db2.gz AJEGUKOFOKYPDB-KDOFPFPSSA-N 1 0 384.484 1.762 20 0 GDADRO C[C@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574712479 949580613 /nfs/dbraw/zinc/58/06/13/949580613.db2.gz SRJVUCYCNNADOK-TZMCWYRMSA-N 1 0 378.440 1.067 20 0 GDADRO CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)[C@@]1(F)CCOC1 ZINC001573810820 949581558 /nfs/dbraw/zinc/58/15/58/949581558.db2.gz DKVFZAJLDIGGGX-HNAYVOBHSA-N 1 0 390.463 1.616 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)c1nnc[nH]1 ZINC001573811552 949601563 /nfs/dbraw/zinc/60/15/63/949601563.db2.gz LLUWPXAFKQZSLX-CYBMUJFWSA-N 1 0 387.423 1.058 20 0 GDADRO C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001575874086 949601821 /nfs/dbraw/zinc/60/18/21/949601821.db2.gz FAHFJDUEBXQMAR-UKRRQHHQSA-N 1 0 389.479 1.821 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)c1cocn1 ZINC001573811886 949607226 /nfs/dbraw/zinc/60/72/26/949607226.db2.gz OVOULBPBQRMCLT-OAHLLOKOSA-N 1 0 387.419 1.928 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1cnccn1 ZINC001573811762 949609904 /nfs/dbraw/zinc/60/99/04/949609904.db2.gz NIKZIWAFVRLXAL-CQSZACIVSA-N 1 0 386.485 1.653 20 0 GDADRO C[C@H](CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001574476703 949616070 /nfs/dbraw/zinc/61/60/70/949616070.db2.gz JGKBQQMYPGXTQA-RHSMWYFYSA-N 1 0 386.500 1.554 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001573812533 949617112 /nfs/dbraw/zinc/61/71/12/949617112.db2.gz SJKCXPGXJSUSKW-SWLSCSKDSA-N 1 0 392.529 1.975 20 0 GDADRO CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573813260 949629678 /nfs/dbraw/zinc/62/96/78/949629678.db2.gz XPPNDJIJGHQIFS-YRNRMSPPSA-N 1 0 384.484 1.524 20 0 GDADRO C[C@H](CN(C)C(=O)C[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574714571 949631853 /nfs/dbraw/zinc/63/18/53/949631853.db2.gz FNOJRQBRYLHKAQ-OCCSQVGLSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001575272134 949636075 /nfs/dbraw/zinc/63/60/75/949636075.db2.gz NYRSODBJEXGUMB-CABCVRRESA-N 1 0 386.504 1.833 20 0 GDADRO C[C@@H](CN(C)C(=O)CC[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574715038 949639138 /nfs/dbraw/zinc/63/91/38/949639138.db2.gz ADNALBCAXAFKHH-STQMWFEESA-N 1 0 378.502 1.681 20 0 GDADRO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1c1ncc(-c2nn[nH]n2)cc1Cl ZINC001575876751 949652693 /nfs/dbraw/zinc/65/26/93/949652693.db2.gz KKLYHFDRLCENKN-BXUZGUMPSA-N 1 0 392.895 1.340 20 0 GDADRO C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1c1ncc(-c2nn[nH]n2)cc1Cl ZINC001575876754 949653515 /nfs/dbraw/zinc/65/35/15/949653515.db2.gz KKLYHFDRLCENKN-SMDDNHRTSA-N 1 0 392.895 1.340 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574958228 949659585 /nfs/dbraw/zinc/65/95/85/949659585.db2.gz HCCSTXFPEQXJKU-IUIKQTSFSA-N 1 0 384.415 1.997 20 0 GDADRO CC1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CCC1 ZINC001575548368 949675163 /nfs/dbraw/zinc/67/51/63/949675163.db2.gz YNEWIHNLTRLDFU-GFCCVEGCSA-N 1 0 376.486 1.435 20 0 GDADRO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001574478809 949721711 /nfs/dbraw/zinc/72/17/11/949721711.db2.gz AVKBCSARAOOHCB-WMLDXEAASA-N 1 0 380.456 1.405 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574960783 949728586 /nfs/dbraw/zinc/72/85/86/949728586.db2.gz XNZOPEJTWSZYEY-JEBQAFNWSA-N 1 0 377.452 1.660 20 0 GDADRO 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C[C@@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)CCOC1 ZINC001575584720 950178617 /nfs/dbraw/zinc/17/86/17/950178617.db2.gz RPFZWXDMIFVZBW-SCLBCKFNSA-N 1 0 390.513 1.826 20 0 GDADRO CC(C)c1noc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574983011 950196939 /nfs/dbraw/zinc/19/69/39/950196939.db2.gz ITSSYQNJBOLBCS-WDEREUQCSA-N 1 0 387.448 1.418 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)CC1(O)CCC1 ZINC001575900724 950208612 /nfs/dbraw/zinc/20/86/12/950208612.db2.gz IDLDGWUZMVIWOY-MLGOLLRUSA-N 1 0 388.447 1.390 20 0 GDADRO CC(C)(C)CCC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573844959 950213297 /nfs/dbraw/zinc/21/32/97/950213297.db2.gz OZKSAQKCPVUQKB-AWEZNQCLSA-N 1 0 389.504 1.842 20 0 GDADRO C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576191947 950218981 /nfs/dbraw/zinc/21/89/81/950218981.db2.gz JAYSVBZRZHYTGG-BBRMVZONSA-N 1 0 380.456 1.478 20 0 GDADRO 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C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)COC(C)(C)C ZINC001575902077 950250278 /nfs/dbraw/zinc/25/02/78/950250278.db2.gz SCZYNKLTNNDJJL-BLLLJJGKSA-N 1 0 390.463 1.900 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCOC1 ZINC001575589894 950270387 /nfs/dbraw/zinc/27/03/87/950270387.db2.gz YQGLUUQHKSVKGQ-AUUYWEPGSA-N 1 0 388.447 1.371 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575903231 950276364 /nfs/dbraw/zinc/27/63/64/950276364.db2.gz YZBPQBOVXJLVDB-BONVTDFDSA-N 1 0 387.394 1.866 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574742389 950284701 /nfs/dbraw/zinc/28/47/01/950284701.db2.gz PAUZGCSGLYLFQA-DLOVCJGASA-N 1 0 382.390 1.844 20 0 GDADRO C[C@H]1CCN(C(=O)c2cccnn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576193210 950286699 /nfs/dbraw/zinc/28/66/99/950286699.db2.gz SMPWJZCBSBMJHF-WMLDXEAASA-N 1 0 392.467 1.545 20 0 GDADRO CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCCO1 ZINC001574158761 950287514 /nfs/dbraw/zinc/28/75/14/950287514.db2.gz SAPMYBYXOKIQAW-GJZGRUSLSA-N 1 0 387.488 1.586 20 0 GDADRO CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CCCO2)CCC1 ZINC001575592454 950287989 /nfs/dbraw/zinc/28/79/89/950287989.db2.gz ASJAPDLGYDYCOT-QGZVFWFLSA-N 1 0 384.484 1.764 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575905177 950290411 /nfs/dbraw/zinc/29/04/11/950290411.db2.gz BVCWHQQKAQRLGS-BLLLJJGKSA-N 1 0 379.424 1.360 20 0 GDADRO C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574743113 950313041 /nfs/dbraw/zinc/31/30/41/950313041.db2.gz RSNVNJFGFNXULA-HERUPUMHSA-N 1 0 382.390 1.844 20 0 GDADRO C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C[NH2+]Cc1cccnc1 ZINC001576193726 950313987 /nfs/dbraw/zinc/31/39/87/950313987.db2.gz WMRODZDNNSWCCA-ZFWWWQNUSA-N 1 0 380.456 1.478 20 0 GDADRO C[C@@H](CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574501233 950326636 /nfs/dbraw/zinc/32/66/36/950326636.db2.gz BRPCPAOYQUVQGB-HNNXBMFYSA-N 1 0 379.468 1.868 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)C1=CCOCC1 ZINC001575907195 950328616 /nfs/dbraw/zinc/32/86/16/950328616.db2.gz MMWZEHXGTVQJPK-YVEFUNNKSA-N 1 0 386.431 1.432 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cscn1 ZINC001575907387 950333929 /nfs/dbraw/zinc/33/39/29/950333929.db2.gz NUGKDRUWDWCBLJ-ONGXEEELSA-N 1 0 375.483 1.778 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1cscn1 ZINC001575907386 950334330 /nfs/dbraw/zinc/33/43/30/950334330.db2.gz NUGKDRUWDWCBLJ-MWLCHTKSSA-N 1 0 375.483 1.778 20 0 GDADRO CC(C)C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574160229 950336050 /nfs/dbraw/zinc/33/60/50/950336050.db2.gz MNLMBBGEGJRUDE-GXTWGEPZSA-N 1 0 390.467 1.295 20 0 GDADRO CC1(C(=O)NCCN2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)CC1 ZINC001575594579 950339006 /nfs/dbraw/zinc/33/90/06/950339006.db2.gz VCSCOPNLTZOENO-UHFFFAOYSA-N 1 0 389.529 1.399 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccncc1F ZINC001575908741 950380268 /nfs/dbraw/zinc/38/02/68/950380268.db2.gz DSBLZQQIGFGGLA-SJKOYZFVSA-N 1 0 381.415 1.794 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C)n1 ZINC001575909065 950387901 /nfs/dbraw/zinc/38/79/01/950387901.db2.gz FODOMCKEAYXNDK-JSGCOSHPSA-N 1 0 383.460 1.365 20 0 GDADRO C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001576197523 950400715 /nfs/dbraw/zinc/40/07/15/950400715.db2.gz PGRCFXXHEUEPAX-HOCLYGCPSA-N 1 0 384.488 1.252 20 0 GDADRO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+]CCCOc1ccccc1 ZINC001574747165 950406180 /nfs/dbraw/zinc/40/61/80/950406180.db2.gz RVJDASHSDAEZQQ-CQSZACIVSA-N 1 0 383.456 1.714 20 0 GDADRO C[C@H]1[C@@H]([NH2+]Cc2cnc(Cl)s2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575909874 950409016 /nfs/dbraw/zinc/40/90/16/950409016.db2.gz ISVNMPBLDWKPFZ-KWQFWETISA-N 1 0 392.876 1.698 20 0 GDADRO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1ccccn1 ZINC001575909849 950409175 /nfs/dbraw/zinc/40/91/75/950409175.db2.gz IMXCUFBFOGGHEG-DNVCBOLYSA-N 1 0 391.479 1.974 20 0 GDADRO C[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198370 950410292 /nfs/dbraw/zinc/41/02/92/950410292.db2.gz SEOOJIUDMQAIDY-GOEBONIOSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575597345 950411573 /nfs/dbraw/zinc/41/15/73/950411573.db2.gz PCAXZLSEZSOWFV-KNBMTAEXSA-N 1 0 384.484 1.668 20 0 GDADRO C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575597692 950419349 /nfs/dbraw/zinc/41/93/49/950419349.db2.gz VPNMPGUGMGOWSR-KPAZRMRSSA-N 1 0 388.447 1.417 20 0 GDADRO C[C@@H]1[C@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576199213 950420386 /nfs/dbraw/zinc/42/03/86/950420386.db2.gz XLHHXSFBHSUVTN-GDBMZVCRSA-N 1 0 384.488 1.395 20 0 GDADRO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1cncs1 ZINC001575911172 950440320 /nfs/dbraw/zinc/44/03/20/950440320.db2.gz NAAKKTVQPHITIF-BLLLJJGKSA-N 1 0 383.481 1.645 20 0 GDADRO C[C@H](CN(C)c1cccc(F)c1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576204778 950475842 /nfs/dbraw/zinc/47/58/42/950475842.db2.gz RIBJUOAOUOAOPV-QWHCGFSZSA-N 1 0 375.452 1.289 20 0 GDADRO C[C@@H]1[C@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575913125 950477331 /nfs/dbraw/zinc/47/73/31/950477331.db2.gz ISMMJHQOALBBHR-GDBMZVCRSA-N 1 0 384.488 1.539 20 0 GDADRO CC(C)CCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574167443 950479475 /nfs/dbraw/zinc/47/94/75/950479475.db2.gz CFINJCTUPBTJOS-MRXNPFEDSA-N 1 0 392.479 1.693 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204974 950488654 /nfs/dbraw/zinc/48/86/54/950488654.db2.gz TTZJSKAKVVGSKU-XJKSGUPXSA-N 1 0 387.463 1.038 20 0 GDADRO CC(C)(C)OCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573866501 950505437 /nfs/dbraw/zinc/50/54/37/950505437.db2.gz FDERQZOVPYFREF-AWEZNQCLSA-N 1 0 390.463 1.759 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(F)nc1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574753367 950521481 /nfs/dbraw/zinc/52/14/81/950521481.db2.gz LOQYUJXGHYWUDS-NSHDSACASA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CN(C)C(=O)c1cccc(=O)[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574753358 950522239 /nfs/dbraw/zinc/52/22/39/950522239.db2.gz LGNZMTTUTATRKN-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO CC(C)[C@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001576205503 950526214 /nfs/dbraw/zinc/52/62/14/950526214.db2.gz JVCZSXKJEUTQKC-INIZCTEOSA-N 1 0 386.504 1.546 20 0 GDADRO CC(C)(C)OCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573867385 950532009 /nfs/dbraw/zinc/53/20/09/950532009.db2.gz YCSRHMJMCZAGJT-OAHLLOKOSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001574510038 950542837 /nfs/dbraw/zinc/54/28/37/950542837.db2.gz YRQMHHDIFUFZEE-LSDHHAIUSA-N 1 0 382.472 1.699 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C12CCC2 ZINC001573869294 950560260 /nfs/dbraw/zinc/56/02/60/950560260.db2.gz NUPYPGKTNDIEEE-LSDHHAIUSA-N 1 0 385.472 1.338 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573869262 950562981 /nfs/dbraw/zinc/56/29/81/950562981.db2.gz NKPMEAXTDDAHJS-INIZCTEOSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574998879 950564119 /nfs/dbraw/zinc/56/41/19/950564119.db2.gz BUWBPUJKIBTEMI-LBPRGKRZSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574998864 950565200 /nfs/dbraw/zinc/56/52/00/950565200.db2.gz BQKFWTFZWBXABK-GFCCVEGCSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574999224 950571812 /nfs/dbraw/zinc/57/18/12/950571812.db2.gz GYELAHDXVGJIJS-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574999233 950576415 /nfs/dbraw/zinc/57/64/15/950576415.db2.gz HDTYOKKXUJYXRL-GFCCVEGCSA-N 1 0 380.456 1.386 20 0 GDADRO C[C@H](CNC(=O)c1cc(C(F)F)ncn1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574999406 950581762 /nfs/dbraw/zinc/58/17/62/950581762.db2.gz JBXOSBOXTOZDIG-SNVBAGLBSA-N 1 0 388.382 1.502 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001574755207 950592173 /nfs/dbraw/zinc/59/21/73/950592173.db2.gz STJRDNAJJHLRRH-LBPRGKRZSA-N 1 0 385.476 1.397 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H](C)n1cccn1 ZINC001574513313 950605248 /nfs/dbraw/zinc/60/52/48/950605248.db2.gz NLVSTOVZVZJCEN-OLZOCXBDSA-N 1 0 386.435 1.448 20 0 GDADRO CC(C)(C)OCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001573871036 950610163 /nfs/dbraw/zinc/61/01/63/950610163.db2.gz LYUHXHRZFRMSHK-OSYLJGHBSA-N 1 0 384.484 1.476 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001576208376 950610302 /nfs/dbraw/zinc/61/03/02/950610302.db2.gz OXHFOGUCVQHHJC-NUEKZKHPSA-N 1 0 384.488 1.443 20 0 GDADRO C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1ccnc1 ZINC001574515143 950625218 /nfs/dbraw/zinc/62/52/18/950625218.db2.gz AHFCVIGSDGFQCT-JQFCIGGWSA-N 1 0 380.456 1.451 20 0 GDADRO CC(C)(C)OCC(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001573871759 950626456 /nfs/dbraw/zinc/62/64/56/950626456.db2.gz VTJQQTZHCWKIED-UHFFFAOYSA-N 1 0 376.436 1.559 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001573873118 950639884 /nfs/dbraw/zinc/63/98/84/950639884.db2.gz GFJHYMQMBDFUGJ-IKGGRYGDSA-N 1 0 384.484 1.903 20 0 GDADRO CC(C)(C)OCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001573873295 950640604 /nfs/dbraw/zinc/64/06/04/950640604.db2.gz HJRHQHZREOBAGC-HALDLXJZSA-N 1 0 388.447 1.367 20 0 GDADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576213701 950641062 /nfs/dbraw/zinc/64/10/62/950641062.db2.gz GVXIYFYJLJOVIH-OBJOEFQTSA-N 1 0 388.451 1.049 20 0 GDADRO CC(C)(C)OCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573873563 950648822 /nfs/dbraw/zinc/64/88/22/950648822.db2.gz RAXLXFHPADYLSX-NNUKFRKNSA-N 1 0 390.463 1.805 20 0 GDADRO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)C1CC1 ZINC001574518750 950659590 /nfs/dbraw/zinc/65/95/90/950659590.db2.gz QWPAGDJQYCDGSM-MYRBDLLGSA-N 1 0 384.459 1.988 20 0 GDADRO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925210 950678642 /nfs/dbraw/zinc/67/86/42/950678642.db2.gz GPASDOHIRFTCKB-RISCZKNCSA-N 1 0 391.439 1.066 20 0 GDADRO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575926174 950702047 /nfs/dbraw/zinc/70/20/47/950702047.db2.gz JCDWYJVBOWASJW-WPRPVWTQSA-N 1 0 389.370 1.059 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574762186 950703216 /nfs/dbraw/zinc/70/32/16/950703216.db2.gz WVHUXBSEPRENIU-ZDUSSCGKSA-N 1 0 392.467 1.784 20 0 GDADRO CC(C)CCC(=O)NCCN1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574180045 950716785 /nfs/dbraw/zinc/71/67/85/950716785.db2.gz OVJPRZMOFBGVPT-UHFFFAOYSA-N 1 0 385.516 1.537 20 0 GDADRO C[C@@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574763650 950728003 /nfs/dbraw/zinc/72/80/03/950728003.db2.gz HFZGQGSVKUTDKI-LBPRGKRZSA-N 1 0 381.444 1.178 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnc2n1CCC2)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574763843 950734430 /nfs/dbraw/zinc/73/44/30/950734430.db2.gz LZRJNFLQIQHMEP-CYBMUJFWSA-N 1 0 380.456 1.260 20 0 GDADRO C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576216674 950739608 /nfs/dbraw/zinc/73/96/08/950739608.db2.gz FEXSYVQRDJFDHD-NEPJUHHUSA-N 1 0 391.426 1.625 20 0 GDADRO CC(C)CCC(=O)NC[C@]1(O)CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574181994 950752092 /nfs/dbraw/zinc/75/20/92/950752092.db2.gz RGJMTKXAWFMUBN-LJQANCHMSA-N 1 0 390.463 1.495 20 0 GDADRO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1nc(C2CC2)no1 ZINC001575008770 950755027 /nfs/dbraw/zinc/75/50/27/950755027.db2.gz HTUQDBLVWMSJNL-NXEZZACHSA-N 1 0 385.432 1.172 20 0 GDADRO C[C@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574764770 950760916 /nfs/dbraw/zinc/76/09/16/950760916.db2.gz YAGJSUQRBABGKQ-LLVKDONJSA-N 1 0 387.394 1.790 20 0 GDADRO C[C@H](CN(C)C(=O)c1cnoc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574765016 950768875 /nfs/dbraw/zinc/76/88/75/950768875.db2.gz BUDWEBBNLTXGKQ-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C1=CCOCC1 ZINC001574521104 950771076 /nfs/dbraw/zinc/77/10/76/950771076.db2.gz DCWMLUVFOHFAOD-CHWSQXEVSA-N 1 0 388.447 1.725 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1ccn(C)n1 ZINC001574521319 950775561 /nfs/dbraw/zinc/77/55/61/950775561.db2.gz FKMHUDPLCYKLEA-ZIAGYGMSSA-N 1 0 382.472 1.216 20 0 GDADRO C[C@H](CN(C)C(=O)c1cscn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574765252 950784036 /nfs/dbraw/zinc/78/40/36/950784036.db2.gz GXZPGHAGHOWVBH-SNVBAGLBSA-N 1 0 375.433 1.713 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CC1OCCCO1 ZINC001574521779 950786155 /nfs/dbraw/zinc/78/61/55/950786155.db2.gz HQCRYTAFICEFAY-ZIAGYGMSSA-N 1 0 388.472 1.393 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncnc2[nH]ccc21)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574765551 950790716 /nfs/dbraw/zinc/79/07/16/950790716.db2.gz DXASFJKUJKTBDO-LBPRGKRZSA-N 1 0 391.439 1.340 20 0 GDADRO C[C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001576218567 950793440 /nfs/dbraw/zinc/79/34/40/950793440.db2.gz MMYBBHZNAVNGAI-JQWIXIFHSA-N 1 0 382.390 1.845 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C1=CCOCC1 ZINC001574522558 950796730 /nfs/dbraw/zinc/79/67/30/950796730.db2.gz KWCXXJPNYYPGQB-STQMWFEESA-N 1 0 388.447 1.725 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1cncs1 ZINC001574522844 950803437 /nfs/dbraw/zinc/80/34/37/950803437.db2.gz LINHWAUOMNXTIL-QWHCGFSZSA-N 1 0 385.497 1.939 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1cccc2cccnc21 ZINC001575010163 950814570 /nfs/dbraw/zinc/81/45/70/950814570.db2.gz BLTUXKIAAIBTIU-ZDUSSCGKSA-N 1 0 390.451 1.993 20 0 GDADRO CC1(C)CC(CC(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575633305 950817903 /nfs/dbraw/zinc/81/79/03/950817903.db2.gz SBKKBRFIXYYAFY-OAHLLOKOSA-N 1 0 390.463 1.399 20 0 GDADRO C[C@H](CN(C)C(=O)c1conc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574766886 950828811 /nfs/dbraw/zinc/82/88/11/950828811.db2.gz NUOZVKBCMBVEBK-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CN(C)C(=O)c1csnn1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574766862 950830648 /nfs/dbraw/zinc/83/06/48/950830648.db2.gz NIIMFNCBFPBPBK-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1ccc[nH]1 ZINC001574523826 950834547 /nfs/dbraw/zinc/83/45/47/950834547.db2.gz QWCDBIKUTWNALN-QWHCGFSZSA-N 1 0 385.447 1.950 20 0 GDADRO CC(C)OCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574524176 950849809 /nfs/dbraw/zinc/84/98/09/950849809.db2.gz UIXBQIUVEADVRJ-STQMWFEESA-N 1 0 378.452 1.804 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ncoc1C1CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574767639 950857289 /nfs/dbraw/zinc/85/72/89/950857289.db2.gz PKHDJYHRCBZYMP-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C1=CCOCC1 ZINC001574524454 950857656 /nfs/dbraw/zinc/85/76/56/950857656.db2.gz WNKIHUAHNAWTPI-RYUDHWBXSA-N 1 0 376.486 1.648 20 0 GDADRO C[C@@H](CN(C)C(=O)c1ocnc1C1CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574767971 950875952 /nfs/dbraw/zinc/87/59/52/950875952.db2.gz SAFGYGJRWMGYLO-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)C[C@@H](O)c1ccccc1F ZINC001575012185 950884699 /nfs/dbraw/zinc/88/46/99/950884699.db2.gz XPBNBHGFFALEKN-BDJLRTHQSA-N 1 0 387.419 1.118 20 0 GDADRO C[C@@H]1[C@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575936598 950916147 /nfs/dbraw/zinc/91/61/47/950916147.db2.gz GNZNKUYPWXVOGF-UKRRQHHQSA-N 1 0 386.504 1.641 20 0 GDADRO C[C@H](C[C@H](C)NC(=O)c1cnccn1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574528168 950928641 /nfs/dbraw/zinc/92/86/41/950928641.db2.gz LTPYRUVNMHWJIZ-NEPJUHHUSA-N 1 0 384.419 1.483 20 0 GDADRO C[C@H](C[C@H](C)[NH2+]Cc1nn(C)cc1Cl)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529558 950950532 /nfs/dbraw/zinc/95/05/32/950950532.db2.gz RCPGSSNZZXXLKP-VHSXEESVSA-N 1 0 391.867 1.268 20 0 GDADRO C[C@@H](C[N@H+](C)CCOC1CCCCCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771981 950952012 /nfs/dbraw/zinc/95/20/12/950952012.db2.gz OBSJFGQXSYMZAL-AWEZNQCLSA-N 1 0 389.504 1.984 20 0 GDADRO C[C@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001575937965 950960330 /nfs/dbraw/zinc/96/03/30/950960330.db2.gz IAKQKXYVFJWYSN-MAUKXSAKSA-N 1 0 386.500 1.962 20 0 GDADRO CC(C)CCC[NH+]1CCC(CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001574195188 950970529 /nfs/dbraw/zinc/97/05/29/950970529.db2.gz IIGCSWSFZDZVIL-UHFFFAOYSA-N 1 0 375.477 1.188 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ncccc1O ZINC001574530249 950974600 /nfs/dbraw/zinc/97/46/00/950974600.db2.gz ULFFDHOIIWMHOU-CHWSQXEVSA-N 1 0 381.440 1.654 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001575017282 950985936 /nfs/dbraw/zinc/98/59/36/950985936.db2.gz JJKSOXAICTYXHL-ZJUUUORDSA-N 1 0 375.383 1.942 20 0 GDADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc2n(n1)CCC2)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574530684 950994203 /nfs/dbraw/zinc/99/42/03/950994203.db2.gz DIXYKPNTSZYEME-RYUDHWBXSA-N 1 0 383.460 1.024 20 0 GDADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccnn1C ZINC001574530805 951003318 /nfs/dbraw/zinc/00/33/18/951003318.db2.gz XHQAXULGCSWHOD-VXGBXAGGSA-N 1 0 386.435 1.426 20 0 GDADRO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]CCc1c(F)cccc1F ZINC001575018254 951019575 /nfs/dbraw/zinc/01/95/75/951019575.db2.gz OXBFCKXDYSRIOK-SNVBAGLBSA-N 1 0 375.383 1.424 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001575020341 951056489 /nfs/dbraw/zinc/05/64/89/951056489.db2.gz ZAABOYCMHYEEKJ-VIFPVBQESA-N 1 0 377.811 1.895 20 0 GDADRO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1ncccc1-c1nn[nH]n1 ZINC001575023772 951083736 /nfs/dbraw/zinc/08/37/36/951083736.db2.gz PJXYCANPEDJINA-CYBMUJFWSA-N 1 0 380.456 1.554 20 0 GDADRO C[C@H](CNC(=O)c1cccc(-n2cccc2)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575026385 951143088 /nfs/dbraw/zinc/14/30/88/951143088.db2.gz IKHMOUYQOXRUSC-CQSZACIVSA-N 1 0 388.435 1.705 20 0 GDADRO C[C@@H](CNC(=O)c1cccnc1N(C)C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575032102 951215168 /nfs/dbraw/zinc/21/51/68/951215168.db2.gz QPBXTBWWJCFMMK-ZDUSSCGKSA-N 1 0 380.456 1.236 20 0 GDADRO C[C@H](CNC(=O)c1cnc(C2CC2)nc1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575043408 951388710 /nfs/dbraw/zinc/38/87/10/951388710.db2.gz IMTXUQZAZNFDBJ-CYBMUJFWSA-N 1 0 392.467 1.784 20 0 GDADRO C[C@@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575043553 951396152 /nfs/dbraw/zinc/39/61/52/951396152.db2.gz UKRZFIDSLLJNHJ-VIFPVBQESA-N 1 0 392.826 1.301 20 0 GDADRO C[C@H](CNC(=O)c1cn(C)nc1Cl)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575044375 951414132 /nfs/dbraw/zinc/41/41/32/951414132.db2.gz ZHEKKUHXSZEUQH-LLVKDONJSA-N 1 0 388.863 1.504 20 0 GDADRO C[C@@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575044628 951415791 /nfs/dbraw/zinc/41/57/91/951415791.db2.gz SWPXSOMYUDLZRN-JTQLQIEISA-N 1 0 384.469 1.850 20 0 GDADRO C[C@@H](CNC(=O)c1cnn(CCF)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575054695 951495904 /nfs/dbraw/zinc/49/59/04/951495904.db2.gz KANDJJLIPUAXLW-ZDUSSCGKSA-N 1 0 386.435 1.283 20 0 GDADRO C[C@@H](CNC(=O)c1cnn2c1CCCC2)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575055462 951506412 /nfs/dbraw/zinc/50/64/12/951506412.db2.gz UXZHOUUJAMNUOK-ZDUSSCGKSA-N 1 0 380.456 1.308 20 0 GDADRO C[C@H](CNC(=O)c1csc(Cl)n1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575062526 951571913 /nfs/dbraw/zinc/57/19/13/951571913.db2.gz XHOUTSVFVMWVIW-SECBINFHSA-N 1 0 377.861 1.885 20 0 GDADRO C[C@H](CNC(=O)c1ncccc1O)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067854 951622642 /nfs/dbraw/zinc/62/26/42/951622642.db2.gz PPZAXAIISBSIKT-LLVKDONJSA-N 1 0 385.403 1.357 20 0 GDADRO CC(C)c1nnsc1C(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575068575 951636440 /nfs/dbraw/zinc/63/64/40/951636440.db2.gz BEOQFEVWKZFUSB-SNVBAGLBSA-N 1 0 387.473 1.137 20 0 GDADRO C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575069329 951642417 /nfs/dbraw/zinc/64/24/17/951642417.db2.gz HUOCMTSDDRGKAS-NSHDSACASA-N 1 0 386.485 1.615 20 0 GDADRO C[C@@H](CNC(=O)c1scnc1Cl)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575070996 951654969 /nfs/dbraw/zinc/65/49/69/951654969.db2.gz WVQKJERUJFPKBZ-VIFPVBQESA-N 1 0 377.861 1.885 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077022 951658532 /nfs/dbraw/zinc/65/85/32/951658532.db2.gz AUZHDAMOGKVGBM-CYHLAULCSA-N 1 0 388.447 1.415 20 0 GDADRO C[C@@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077244 951663701 /nfs/dbraw/zinc/66/37/01/951663701.db2.gz BAYIPICPXYSGDR-CYBMUJFWSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](CNC(=O)c1ccccc1O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079703 951696183 /nfs/dbraw/zinc/69/61/83/951696183.db2.gz FXGPAIBKLGONIS-GFCCVEGCSA-N 1 0 384.415 1.867 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1ncccc1O ZINC001575079833 951697525 /nfs/dbraw/zinc/69/75/25/951697525.db2.gz GYTYTDCOZOQQJK-NSHDSACASA-N 1 0 385.403 1.357 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)(NC(=O)c1ccn[nH]1)C1CC1 ZINC001575079791 951697929 /nfs/dbraw/zinc/69/79/29/951697929.db2.gz GKOMOSSWQDKWSY-SFHVURJKSA-N 1 0 384.419 1.417 20 0 GDADRO C[C@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575079900 951698999 /nfs/dbraw/zinc/69/89/99/951698999.db2.gz SRWGESPXEINTLM-QFBILLFUSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)(NC(=O)[C@H]1CCCO1)C1CC1 ZINC001575079901 951699317 /nfs/dbraw/zinc/69/93/17/951699317.db2.gz SRWGESPXEINTLM-VQIMIIECSA-N 1 0 388.447 1.559 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575080426 951708751 /nfs/dbraw/zinc/70/87/51/951708751.db2.gz LNQJGQLHZKLUGP-CZUORRHYSA-N 1 0 390.463 1.902 20 0 GDADRO C[C@H](CNC(=O)C1CC(F)(F)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080763 951714481 /nfs/dbraw/zinc/71/44/81/951714481.db2.gz ZGNUQLCDXYMFLR-JTQLQIEISA-N 1 0 382.390 1.893 20 0 GDADRO C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)COC(C)(C)C ZINC001575080745 951714650 /nfs/dbraw/zinc/71/46/50/951714650.db2.gz ZAORAQJJMKUXAO-GFCCVEGCSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@H](CNC(=O)c1cnns1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081139 951720010 /nfs/dbraw/zinc/72/00/10/951720010.db2.gz OONBJCAGUYGRJO-VIFPVBQESA-N 1 0 376.421 1.013 20 0 GDADRO C[C@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081579 951724145 /nfs/dbraw/zinc/72/41/45/951724145.db2.gz QMXGLPRNGXLVMU-DZGCQCFKSA-N 1 0 390.463 1.664 20 0 GDADRO CC(C)SCC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081715 951725645 /nfs/dbraw/zinc/72/56/45/951725645.db2.gz SAVJFQSTZXODKM-LBPRGKRZSA-N 1 0 380.493 1.989 20 0 GDADRO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CCc1cn[nH]c1 ZINC001575081952 951728575 /nfs/dbraw/zinc/72/85/75/951728575.db2.gz UCTGWIVJDILGSL-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CCC1(F)F ZINC001575089350 951749999 /nfs/dbraw/zinc/74/99/99/951749999.db2.gz GPQSDHKAEGVKJA-GWCFXTLKSA-N 1 0 382.390 1.988 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccccc1O ZINC001575089397 951750062 /nfs/dbraw/zinc/75/00/62/951750062.db2.gz FJTNYWAZKMLDLI-GFCCVEGCSA-N 1 0 384.415 1.962 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCc1ccon1 ZINC001575089502 951750438 /nfs/dbraw/zinc/75/04/38/951750438.db2.gz GGUWMVSWVPLCRR-GFCCVEGCSA-N 1 0 387.419 1.563 20 0 GDADRO C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)c1cncnc1)C1CC1 ZINC001575090747 951764769 /nfs/dbraw/zinc/76/47/69/951764769.db2.gz LOUPDEIFCNINSL-IBGZPJMESA-N 1 0 378.440 1.345 20 0 GDADRO C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001575090966 951766404 /nfs/dbraw/zinc/76/64/04/951766404.db2.gz LZEDQQUTSCECGG-YLJYHZDGSA-N 1 0 384.484 1.810 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)COC(C)(C)C ZINC001575091280 951773311 /nfs/dbraw/zinc/77/33/11/951773311.db2.gz PTYURMQECLDCNK-LBPRGKRZSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1CCCCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091504 951777047 /nfs/dbraw/zinc/77/70/47/951777047.db2.gz SWRBCXPJZBOGJV-WBMJQRKESA-N 1 0 376.436 1.417 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575091689 951781700 /nfs/dbraw/zinc/78/17/00/951781700.db2.gz UQOSAIOBUAMSDN-OCCSQVGLSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)COC(C)(C)C ZINC001575091750 951781924 /nfs/dbraw/zinc/78/19/24/951781924.db2.gz XNKWXIJGXUGTRE-LBPRGKRZSA-N 1 0 378.452 1.757 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1cncs1 ZINC001575091777 951783904 /nfs/dbraw/zinc/78/39/04/951783904.db2.gz XXTDVERHLQGMIL-LLVKDONJSA-N 1 0 389.460 1.642 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1Cc2cccnc2C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091980 951787022 /nfs/dbraw/zinc/78/70/22/951787022.db2.gz WZAWBHWNFHBDBC-KDOFPFPSSA-N 1 0 391.479 1.519 20 0 GDADRO C[C@@H](CNC(=O)C(C)(C)c1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575092011 951789096 /nfs/dbraw/zinc/78/90/96/951789096.db2.gz XTDLGLCNQFSRDL-CYBMUJFWSA-N 1 0 382.472 1.410 20 0 GDADRO CC(C)n1cc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001575095157 951810633 /nfs/dbraw/zinc/81/06/33/951810633.db2.gz SSKCWTTYCQSSIE-CQSZACIVSA-N 1 0 382.472 1.800 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1conc1C1CC1 ZINC001575095423 951811504 /nfs/dbraw/zinc/81/15/04/951811504.db2.gz SWHJPDGKTTWTHM-GFCCVEGCSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@@H](CNC(=O)c1cc(Cl)no1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575096100 951817676 /nfs/dbraw/zinc/81/76/76/951817676.db2.gz ZCHDCDVHBKFRKX-SNVBAGLBSA-N 1 0 375.820 1.664 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001575098387 951822468 /nfs/dbraw/zinc/82/24/68/951822468.db2.gz CBLNTSQYTDFYMN-OCCSQVGLSA-N 1 0 390.513 1.681 20 0 GDADRO C[C@H](CNC(=O)c1ocnc1C1CC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575099051 951830518 /nfs/dbraw/zinc/83/05/18/951830518.db2.gz HWYLLBYZFYUBOG-JTQLQIEISA-N 1 0 387.469 1.949 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1ccccn1 ZINC001575099583 951837993 /nfs/dbraw/zinc/83/79/93/951837993.db2.gz NKDVSZMDUILXDF-CYBMUJFWSA-N 1 0 385.497 1.893 20 0 GDADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100196 951844701 /nfs/dbraw/zinc/84/47/01/951844701.db2.gz RWJNWRXDHXPMCM-RAIGVLPGSA-N 1 0 386.485 1.297 20 0 GDADRO C[C@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101136 951854112 /nfs/dbraw/zinc/85/41/12/951854112.db2.gz AIMXLRWQSXQXGD-KBPBESRZSA-N 1 0 390.463 1.664 20 0 GDADRO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CCc1c[nH]cn1 ZINC001575105192 951891879 /nfs/dbraw/zinc/89/18/79/951891879.db2.gz HWAHPHPGBHSUQE-LBPRGKRZSA-N 1 0 386.435 1.298 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)c1csnn1 ZINC001575105628 951895812 /nfs/dbraw/zinc/89/58/12/951895812.db2.gz LRXPEJBHYZYLJO-SECBINFHSA-N 1 0 376.421 1.108 20 0 GDADRO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1ccc2c(c1)COC2 ZINC001575107069 951910876 /nfs/dbraw/zinc/91/08/76/951910876.db2.gz YEOIFDQHVVEEFB-GFCCVEGCSA-N 1 0 381.440 1.381 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107147 951913343 /nfs/dbraw/zinc/91/33/43/951913343.db2.gz AACQLJNHUIVFLY-IAOVAPTHSA-N 1 0 394.483 1.246 20 0 GDADRO C[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107331 951917456 /nfs/dbraw/zinc/91/74/56/951917456.db2.gz CWEXPMAVBVWJLS-LBPRGKRZSA-N 1 0 380.456 1.623 20 0 GDADRO C[C@H](CNC(=O)c1cccc2c1OCC2)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575108806 951926161 /nfs/dbraw/zinc/92/61/61/951926161.db2.gz NQFAAYPZIMRTBE-AWEZNQCLSA-N 1 0 392.463 1.957 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1nccn1C ZINC001575108753 951926621 /nfs/dbraw/zinc/92/66/21/951926621.db2.gz NFJILLGWSLRDAK-AWEZNQCLSA-N 1 0 382.472 1.170 20 0 GDADRO CC(C)n1nccc1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575109263 951930547 /nfs/dbraw/zinc/93/05/47/951930547.db2.gz QNARUWDMBBJQJT-CQSZACIVSA-N 1 0 382.472 1.800 20 0 GDADRO C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575109546 951931634 /nfs/dbraw/zinc/93/16/34/951931634.db2.gz SFJUPBHKQUADKX-KDOFPFPSSA-N 1 0 392.463 1.979 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575109683 951931843 /nfs/dbraw/zinc/93/18/43/951931843.db2.gz UEDWFJDUHXITBT-LIRRHRJNSA-N 1 0 392.463 1.807 20 0 GDADRO CC(C)n1ccc(C(=O)NC[C@H](C)C[NH2+]Cc2ccccc2-c2nn[nH]n2)n1 ZINC001575113734 951945801 /nfs/dbraw/zinc/94/58/01/951945801.db2.gz FABCFWLEJALNNS-CQSZACIVSA-N 1 0 382.472 1.800 20 0 GDADRO C[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114308 951955985 /nfs/dbraw/zinc/95/59/85/951955985.db2.gz OWERWNKMCQHVFH-LIRRHRJNSA-N 1 0 392.463 1.712 20 0 GDADRO C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)c1cnoc1C1CC1 ZINC001575114541 951956797 /nfs/dbraw/zinc/95/67/97/951956797.db2.gz QBHYBTMQXGKFQW-LBPRGKRZSA-N 1 0 381.440 1.982 20 0 GDADRO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001575114782 951961321 /nfs/dbraw/zinc/96/13/21/951961321.db2.gz SXAJTURBHTVXQS-ZDUSSCGKSA-N 1 0 382.472 1.417 20 0 GDADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001575121485 951995894 /nfs/dbraw/zinc/99/58/94/951995894.db2.gz FJZDQEBBSBNHQL-ZBFHGGJFSA-N 1 0 386.504 1.783 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575144027 952161284 /nfs/dbraw/zinc/16/12/84/952161284.db2.gz FQJHWVLXBMGPJA-SFHVURJKSA-N 1 0 382.428 1.001 20 0 GDADRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575144887 952173698 /nfs/dbraw/zinc/17/36/98/952173698.db2.gz NDLGXAZSURHBGK-LJQANCHMSA-N 1 0 385.472 1.340 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575145391 952183038 /nfs/dbraw/zinc/18/30/38/952183038.db2.gz XAHBRYLTRYOEES-CYBMUJFWSA-N 1 0 380.456 1.315 20 0 GDADRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575145452 952184518 /nfs/dbraw/zinc/18/45/18/952184518.db2.gz XWMFTXIWAKEQFA-DJJJIMSYSA-N 1 0 385.472 1.197 20 0 GDADRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575145509 952186410 /nfs/dbraw/zinc/18/64/10/952186410.db2.gz YVUDNEVNEYPWRC-CYBMUJFWSA-N 1 0 387.488 1.395 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CN1CCc2ccccc21 ZINC001575146402 952194590 /nfs/dbraw/zinc/19/45/90/952194590.db2.gz KCVVFCFOXROMHZ-AWEZNQCLSA-N 1 0 392.467 1.005 20 0 GDADRO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)COc1ccccc1F ZINC001575147850 952201244 /nfs/dbraw/zinc/20/12/44/952201244.db2.gz WJWMFQDENSDZHM-LBPRGKRZSA-N 1 0 385.403 1.161 20 0 GDADRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001575165853 952316179 /nfs/dbraw/zinc/31/61/79/952316179.db2.gz WQMNJCUVXOXOQS-LBPRGKRZSA-N 1 0 390.467 1.534 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]C2CC[NH+](CC(=O)[O-])CC2)C12CCOCC2 ZINC001602902550 971825505 /nfs/dbraw/zinc/82/55/05/971825505.db2.gz BUUIHJOPXUUICK-HOTGVXAUSA-N 1 0 397.516 1.587 20 0 GDADRO C[C@H](CNc1snc(Cl)c1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575177125 952397026 /nfs/dbraw/zinc/39/70/26/952397026.db2.gz GSSQZLDRILLGPH-BDAKNGLRSA-N 1 0 384.897 1.330 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575196876 952478215 /nfs/dbraw/zinc/47/82/15/952478215.db2.gz KJVCEGWOWYRJAR-IYXRBSQSSA-N 1 0 381.440 1.462 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)ns1 ZINC001571116889 952478769 /nfs/dbraw/zinc/47/87/69/952478769.db2.gz FNBPZNAMKKNEHS-JTQLQIEISA-N 1 0 375.483 1.697 20 0 GDADRO O=C(c1cccnc1)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571117333 952480541 /nfs/dbraw/zinc/48/05/41/952480541.db2.gz JNYRNBHXJQHKFS-FUHWJXTLSA-N 1 0 375.436 1.608 20 0 GDADRO C[C@H](Cc1ccco1)C(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575197648 952486315 /nfs/dbraw/zinc/48/63/15/952486315.db2.gz YIMVXIWGGQTHEH-CQSZACIVSA-N 1 0 380.452 1.887 20 0 GDADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001571119777 952493473 /nfs/dbraw/zinc/49/34/73/952493473.db2.gz FNJIJHHJGOEXSC-DFBGVHRSSA-N 1 0 376.411 1.706 20 0 GDADRO C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575200273 952493514 /nfs/dbraw/zinc/49/35/14/952493514.db2.gz BZGWQJZKNBPNMN-BBRMVZONSA-N 1 0 380.456 1.159 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@]2(C1)CCC[N@@H+](C/C=C/Cl)C2 ZINC001571120940 952512196 /nfs/dbraw/zinc/51/21/96/952512196.db2.gz SEQJEAYDGWJZRL-RTZWDOBSSA-N 1 0 375.864 1.875 20 0 GDADRO O=C(Cc1cncs1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121107 952514078 /nfs/dbraw/zinc/51/40/78/952514078.db2.gz WGMGTPXZOAZBNI-SNVBAGLBSA-N 1 0 375.483 1.318 20 0 GDADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCC(F)(F)C1 ZINC001571121294 952519419 /nfs/dbraw/zinc/51/94/19/952519419.db2.gz XUHAQLGUMZATGU-OCCSQVGLSA-N 1 0 376.411 1.993 20 0 GDADRO CC[C@H](OC)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571121960 952524147 /nfs/dbraw/zinc/52/41/47/952524147.db2.gz GIQLZSJDENPHQO-BBRMVZONSA-N 1 0 376.436 1.511 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571123073 952527785 /nfs/dbraw/zinc/52/77/85/952527785.db2.gz NPXLIHKVESNWML-KCJUWKMLSA-N 1 0 376.471 1.030 20 0 GDADRO O=C(c1cnns1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571124090 952533741 /nfs/dbraw/zinc/53/37/41/952533741.db2.gz YTKYTXBGIIXNOM-SECBINFHSA-N 1 0 376.471 1.174 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CN1C(=O)CC(C)(C)O ZINC001571124132 952534122 /nfs/dbraw/zinc/53/41/22/952534122.db2.gz ZKVLOPRLMHJXJU-DGCLKSJQSA-N 1 0 376.436 1.246 20 0 GDADRO C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001571124173 952535300 /nfs/dbraw/zinc/53/53/00/952535300.db2.gz ACBYYUWTQDJKOL-NQBHXWOUSA-N 1 0 377.399 1.496 20 0 GDADRO C[C@@H](Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CC=CCC1)[NH+](C)C ZINC001575208013 952538357 /nfs/dbraw/zinc/53/83/57/952538357.db2.gz YXHHDHIQMAETST-AWEZNQCLSA-N 1 0 379.472 1.842 20 0 GDADRO CC(F)(F)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC001575212265 952552903 /nfs/dbraw/zinc/55/29/03/952552903.db2.gz FUSQQRUMMRAKGK-UHFFFAOYSA-N 1 0 380.399 1.277 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCN1C(=O)c1ccncc1 ZINC001571127251 952552984 /nfs/dbraw/zinc/55/29/84/952552984.db2.gz ICFFWDFQLKCGOB-GOSISDBHSA-N 1 0 377.452 1.998 20 0 GDADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001571127452 952555150 /nfs/dbraw/zinc/55/51/50/952555150.db2.gz JMQMZAYSWBOEEY-INIZCTEOSA-N 1 0 377.452 1.856 20 0 GDADRO CC(F)(F)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575212933 952556653 /nfs/dbraw/zinc/55/66/53/952556653.db2.gz ORUPZJZPEDYOSO-HNNXBMFYSA-N 1 0 386.428 1.027 20 0 GDADRO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1c1ccccc1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571127546 952556987 /nfs/dbraw/zinc/55/69/87/952556987.db2.gz HPDLKOGJUHWEJK-FUHWJXTLSA-N 1 0 377.452 1.803 20 0 GDADRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[nH]n2)ccn1 ZINC001571128166 952565256 /nfs/dbraw/zinc/56/52/56/952565256.db2.gz PNVHLPMETPDXDA-QGZVFWFLSA-N 1 0 377.452 1.965 20 0 GDADRO CC(F)(F)C(C)(C)C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001575214919 952566186 /nfs/dbraw/zinc/56/61/86/952566186.db2.gz PLQUATSFKLNCQB-CYBMUJFWSA-N 1 0 379.415 1.672 20 0 GDADRO O=C(Cc1cccnc1)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571128414 952567226 /nfs/dbraw/zinc/56/72/26/952567226.db2.gz SZFUJJGSFIKPFE-GOSISDBHSA-N 1 0 377.452 1.585 20 0 GDADRO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571128566 952568420 /nfs/dbraw/zinc/56/84/20/952568420.db2.gz UTUGFZFPPYHPSV-OSYLJGHBSA-N 1 0 377.452 1.345 20 0 GDADRO Cc1cccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571128955 952572137 /nfs/dbraw/zinc/57/21/37/952572137.db2.gz ZOOOIVBNFQIMMH-FZKQIMNGSA-N 1 0 377.452 1.820 20 0 GDADRO Cc1cnccc1C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571134267 952588293 /nfs/dbraw/zinc/58/82/93/952588293.db2.gz GUAGZYQTESSLFE-UONOGXRCSA-N 1 0 378.440 1.398 20 0 GDADRO Cc1ccnc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)n1 ZINC001571134694 952593822 /nfs/dbraw/zinc/59/38/22/952593822.db2.gz LYTIEUBIBMZRPS-XJKSGUPXSA-N 1 0 378.440 1.358 20 0 GDADRO Cc1cc(C(=O)N2C[C@H](C)[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571135063 952599353 /nfs/dbraw/zinc/59/93/53/952599353.db2.gz OXMBKOQCTPPORP-APPDUMDISA-N 1 0 378.440 1.268 20 0 GDADRO Cc1cncc(CC(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001571135514 952604564 /nfs/dbraw/zinc/60/45/64/952604564.db2.gz ZQTSPXFNBBBAFE-HNNXBMFYSA-N 1 0 378.440 1.033 20 0 GDADRO O=C(NCC1CC([NH2+]C[C@H]2CCC(F)(F)C2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571139041 952618226 /nfs/dbraw/zinc/61/82/26/952618226.db2.gz AXKVGRHQWQMBRA-ZBOXLXRLSA-N 1 0 379.415 1.728 20 0 GDADRO Cc1ncncc1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C ZINC001571141066 952630536 /nfs/dbraw/zinc/63/05/36/952630536.db2.gz GHNNIDDUPCDAPS-DYVFJYSZSA-N 1 0 378.440 1.358 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571141256 952632754 /nfs/dbraw/zinc/63/27/54/952632754.db2.gz JGAZTAMXPKTZOH-MLGOLLRUSA-N 1 0 379.424 1.218 20 0 GDADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1ncoc1C1CC1 ZINC001571142034 952638058 /nfs/dbraw/zinc/63/80/58/952638058.db2.gz OEPGTVNICZISAB-AWEZNQCLSA-N 1 0 379.424 1.736 20 0 GDADRO CS[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571141952 952638071 /nfs/dbraw/zinc/63/80/71/952638071.db2.gz LPTVKGFXOAEBGL-AAEUAGOBSA-N 1 0 378.477 1.695 20 0 GDADRO O=C(NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC001571142609 952643815 /nfs/dbraw/zinc/64/38/15/952643815.db2.gz YCUVOCLXNVPHDM-NWINJMCUSA-N 1 0 379.424 1.387 20 0 GDADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001571146929 952654730 /nfs/dbraw/zinc/65/47/30/952654730.db2.gz DBCPOOGQHUPGTN-HNNXBMFYSA-N 1 0 379.424 1.229 20 0 GDADRO O=C(c1ccc(=O)[nH]c1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571148411 952667143 /nfs/dbraw/zinc/66/71/43/952667143.db2.gz YWKZSSBOSGSNFB-INIZCTEOSA-N 1 0 379.424 1.362 20 0 GDADRO CCc1ccccc1CC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571150687 952670864 /nfs/dbraw/zinc/67/08/64/952670864.db2.gz FAXWQOFWXVVNFH-KRWDZBQOSA-N 1 0 379.468 1.804 20 0 GDADRO Cn1cccc1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571151046 952672792 /nfs/dbraw/zinc/67/27/92/952672792.db2.gz JUCYAKUHOUBZHP-OAHLLOKOSA-N 1 0 379.468 1.847 20 0 GDADRO O=C(CCn1cccc1)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571151565 952675515 /nfs/dbraw/zinc/67/55/15/952675515.db2.gz QTBZRUPHRXGAFE-GOSISDBHSA-N 1 0 379.468 1.839 20 0 GDADRO C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571151697 952678433 /nfs/dbraw/zinc/67/84/33/952678433.db2.gz UWWUWJGGBJIFKZ-KDOFPFPSSA-N 1 0 379.468 1.907 20 0 GDADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccn(C)c1 ZINC001571151775 952679495 /nfs/dbraw/zinc/67/94/95/952679495.db2.gz XFTKMLNFWFBGBS-PBHICJAKSA-N 1 0 379.468 1.988 20 0 GDADRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ccn(C)c1 ZINC001571151777 952679619 /nfs/dbraw/zinc/67/96/19/952679619.db2.gz XFTKMLNFWFBGBS-WMLDXEAASA-N 1 0 379.468 1.988 20 0 GDADRO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]cc2-c2nn[nH]n2)no1 ZINC001571158243 952709750 /nfs/dbraw/zinc/70/97/50/952709750.db2.gz FTKBWFIWMMKDIQ-KYOSRNDESA-N 1 0 380.412 1.406 20 0 GDADRO O=C(c1coc(C2CCC2)n1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571162105 952738245 /nfs/dbraw/zinc/73/82/45/952738245.db2.gz KFXPYSRJBJHWMQ-GFCCVEGCSA-N 1 0 380.412 1.266 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165581 952753791 /nfs/dbraw/zinc/75/37/91/952753791.db2.gz GBMZODXPEDTVAX-CJNGLKHVSA-N 1 0 380.456 1.302 20 0 GDADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC001571166239 952759649 /nfs/dbraw/zinc/75/96/49/952759649.db2.gz KLGSGXFWLSJSRS-XJKSGUPXSA-N 1 0 380.456 1.241 20 0 GDADRO C[C@@H]([NH2+]Cc1ccccn1)[C@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571167151 952770111 /nfs/dbraw/zinc/77/01/11/952770111.db2.gz WPOCUEJQFQCKRK-CXAGYDPISA-N 1 0 380.456 1.763 20 0 GDADRO CCc1n[nH]cc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571167140 952770459 /nfs/dbraw/zinc/77/04/59/952770459.db2.gz WJTPJVOSOFFBJQ-XBXGTLAGSA-N 1 0 380.456 1.450 20 0 GDADRO Cc1cncn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169477 952773736 /nfs/dbraw/zinc/77/37/36/952773736.db2.gz DSHSWGUQCNKIMA-DYVFJYSZSA-N 1 0 380.456 1.008 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)c3ccc[nH]3)C(C)(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571169606 952775899 /nfs/dbraw/zinc/77/58/99/952775899.db2.gz HSRWQHFIPUOYJY-MRXNPFEDSA-N 1 0 380.456 1.933 20 0 GDADRO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571169910 952780863 /nfs/dbraw/zinc/78/08/63/952780863.db2.gz QGTFAAUEEBZFNR-HZPDHXFCSA-N 1 0 380.456 1.587 20 0 GDADRO Cc1c[nH]nc1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170055 952783025 /nfs/dbraw/zinc/78/30/25/952783025.db2.gz RMTQBFUDNJDYAO-CQSZACIVSA-N 1 0 380.456 1.540 20 0 GDADRO Cc1ccncc1C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 ZINC001571170126 952783841 /nfs/dbraw/zinc/78/38/41/952783841.db2.gz TVVZTVQKTMRHOB-HIFRSBDPSA-N 1 0 380.456 1.681 20 0 GDADRO Cc1ccc(C(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)n1C ZINC001571170895 952789624 /nfs/dbraw/zinc/78/96/24/952789624.db2.gz YXNGQIDBKXUPIF-CQSZACIVSA-N 1 0 380.456 1.356 20 0 GDADRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)Nc1cccc(-c2nn[nH]n2)c1 ZINC001571171073 952790831 /nfs/dbraw/zinc/79/08/31/952790831.db2.gz NHVKCCIOMVVYRF-PBHICJAKSA-N 1 0 381.396 1.026 20 0 GDADRO Cc1nccn1CC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171851 952798080 /nfs/dbraw/zinc/79/80/80/952798080.db2.gz GVSMUIRUFOWLSK-UHFFFAOYSA-N 1 0 380.456 1.056 20 0 GDADRO Cc1nn(C)cc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571171901 952799469 /nfs/dbraw/zinc/79/94/69/952799469.db2.gz HXWOOVSKWBZYQE-OTVXOJSOSA-N 1 0 380.456 1.207 20 0 GDADRO Cn1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571172187 952802276 /nfs/dbraw/zinc/80/22/76/952802276.db2.gz OPJDTOMPRZSBAF-DZGCQCFKSA-N 1 0 380.456 1.289 20 0 GDADRO Cc1nccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172555 952808240 /nfs/dbraw/zinc/80/82/40/952808240.db2.gz XBVIRPFTLKMMFK-INIZCTEOSA-N 1 0 380.456 1.105 20 0 GDADRO Cc1cccc(F)c1C(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571178483 952842641 /nfs/dbraw/zinc/84/26/41/952842641.db2.gz KEFZOLBQOBUFNT-WBMJQRKESA-N 1 0 381.415 1.704 20 0 GDADRO O=C(Cc1cnoc1)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571179937 952857563 /nfs/dbraw/zinc/85/75/63/952857563.db2.gz KRGFLKPNIFFZPG-KRWDZBQOSA-N 1 0 381.440 1.568 20 0 GDADRO Cc1cc(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)no1 ZINC001571180906 952861026 /nfs/dbraw/zinc/86/10/26/952861026.db2.gz RCFFTPUEPLDPNV-OAHLLOKOSA-N 1 0 381.440 1.486 20 0 GDADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1C[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC001571182786 952868741 /nfs/dbraw/zinc/86/87/41/952868741.db2.gz FSFJHLXUXOTMNU-GASCZTMLSA-N 1 0 381.415 1.538 20 0 GDADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001571182951 952870444 /nfs/dbraw/zinc/87/04/44/952870444.db2.gz KMIZMFRUJSRFON-CZUORRHYSA-N 1 0 381.440 1.424 20 0 GDADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001571183097 952872779 /nfs/dbraw/zinc/87/27/79/952872779.db2.gz OGLMOGPNLJFTSM-LRDDRELGSA-N 1 0 381.415 1.826 20 0 GDADRO CCc1ocnc1C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571183101 952873497 /nfs/dbraw/zinc/87/34/97/952873497.db2.gz OKMGNJBIPNMFJQ-LBPRGKRZSA-N 1 0 381.440 1.667 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC001571183300 952876356 /nfs/dbraw/zinc/87/63/56/952876356.db2.gz WEVKNXNFAWSNIG-OAHLLOKOSA-N 1 0 381.440 1.516 20 0 GDADRO CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]cc2-c2nn[nH]n2)cn1 ZINC001571186072 952904506 /nfs/dbraw/zinc/90/45/06/952904506.db2.gz RSKBCXVKLRNTIK-HZPDHXFCSA-N 1 0 381.444 1.053 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](C(=O)Nc2cnn(-c3ncccc3-c3nn[nH]n3)c2)C1 ZINC001571186258 952904937 /nfs/dbraw/zinc/90/49/37/952904937.db2.gz ULGRKEFOGZSJHT-JSGCOSHPSA-N 1 0 381.444 1.506 20 0 GDADRO Cc1cc(N2CCC[C@H](NC(=O)c3ccn(C)n3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571188145 952912808 /nfs/dbraw/zinc/91/28/08/952912808.db2.gz GSWRIHDRBNBBQB-JSGCOSHPSA-N 1 0 381.444 1.091 20 0 GDADRO Cc1nc[nH]c1C(=O)N1CCCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001571188805 952920964 /nfs/dbraw/zinc/92/09/64/952920964.db2.gz NAYBKDNXBRBPEL-CYBMUJFWSA-N 1 0 381.444 1.130 20 0 GDADRO Cc1ncc(C(=O)NC2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)n1C ZINC001571189824 952936246 /nfs/dbraw/zinc/93/62/46/952936246.db2.gz WDQWUKSNXNZPKE-UHFFFAOYSA-N 1 0 381.444 1.093 20 0 GDADRO C[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571196366 952982117 /nfs/dbraw/zinc/98/21/17/952982117.db2.gz JMEUEONWDAQXTB-ZBEGNZNMSA-N 1 0 382.403 1.046 20 0 GDADRO Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)ncn1 ZINC001571197281 952987131 /nfs/dbraw/zinc/98/71/31/952987131.db2.gz VBSVKCZUHPVZGX-ZDUSSCGKSA-N 1 0 382.403 1.109 20 0 GDADRO Cc1cc(N2CCC[C@H]([C@H](C)NC(=O)c3cnco3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571200152 953007527 /nfs/dbraw/zinc/00/75/27/953007527.db2.gz BCRJJPUZASJBNO-STQMWFEESA-N 1 0 382.428 1.593 20 0 GDADRO Cc1nocc1C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571207369 953063028 /nfs/dbraw/zinc/06/30/28/953063028.db2.gz YTUIIGRRDKPHAV-DGCLKSJQSA-N 1 0 382.428 1.190 20 0 GDADRO O=C([C@@H]1CC12CCOCC2)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571209851 953068234 /nfs/dbraw/zinc/06/82/34/953068234.db2.gz GRLJQOSDSYFHRM-IRXDYDNUSA-N 1 0 382.468 1.374 20 0 GDADRO CO[C@@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2)C1CC1 ZINC001571210155 953070528 /nfs/dbraw/zinc/07/05/28/953070528.db2.gz MQCCLDWJCBNFHD-QGZVFWFLSA-N 1 0 382.468 1.326 20 0 GDADRO C[C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571210172 953070812 /nfs/dbraw/zinc/07/08/12/953070812.db2.gz NNDWSPPBQVPTRX-KDOFPFPSSA-N 1 0 382.468 1.398 20 0 GDADRO COc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@H]3CC34CC4)C2)cc1-c1nn[nH]n1 ZINC001571210210 953071585 /nfs/dbraw/zinc/07/15/85/953071585.db2.gz OLKJZEVYRNDBEP-DNVCBOLYSA-N 1 0 382.468 1.756 20 0 GDADRO CC1(C)CN(C(=O)C2=CCOCC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571210764 953073512 /nfs/dbraw/zinc/07/35/12/953073512.db2.gz WMWDNXVSZCUUPR-QGZVFWFLSA-N 1 0 382.468 1.540 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cc[nH]c(=O)c1 ZINC001571217891 953111765 /nfs/dbraw/zinc/11/17/65/953111765.db2.gz RKRXZBNCICSFFC-CQSZACIVSA-N 1 0 383.387 1.111 20 0 GDADRO O=C(c1cccc(=O)[nH]1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571218673 953118227 /nfs/dbraw/zinc/11/82/27/953118227.db2.gz YGJBHAMZEXPFPK-LBPRGKRZSA-N 1 0 383.387 1.111 20 0 GDADRO COc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571219374 953125338 /nfs/dbraw/zinc/12/53/38/953125338.db2.gz OAMWNRPYWAGZDE-AWEZNQCLSA-N 1 0 383.412 1.258 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccn2C)C[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571229240 953168559 /nfs/dbraw/zinc/16/85/59/953168559.db2.gz BFKOZTNJABTKDJ-WBMJQRKESA-N 1 0 383.431 1.595 20 0 GDADRO Cn1cccc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571229756 953171175 /nfs/dbraw/zinc/17/11/75/953171175.db2.gz MFGOOJRNHJSDRC-LJQANCHMSA-N 1 0 383.431 1.739 20 0 GDADRO Cc1[nH]ccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571229989 953173052 /nfs/dbraw/zinc/17/30/52/953173052.db2.gz QICCEKJRGRGLLI-CQSZACIVSA-N 1 0 383.431 1.989 20 0 GDADRO C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571230344 953175951 /nfs/dbraw/zinc/17/59/51/953175951.db2.gz VVFGZPFEZHZDQO-MLGOLLRUSA-N 1 0 383.431 1.595 20 0 GDADRO O=C([C@@H]1CCCO1)N1CCC[C@]2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571233480 953192957 /nfs/dbraw/zinc/19/29/57/953192957.db2.gz VXLJYPPVCZJENE-QFBILLFUSA-N 1 0 383.456 1.260 20 0 GDADRO CC(C)n1ccc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C)n1 ZINC001571233666 953194670 /nfs/dbraw/zinc/19/46/70/953194670.db2.gz ZTZFXUDBDNDEHR-WFASDCNBSA-N 1 0 383.460 1.365 20 0 GDADRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cc1cncs1 ZINC001571233990 953197739 /nfs/dbraw/zinc/19/77/39/953197739.db2.gz JUQYHBMKZINTRS-SWLSCSKDSA-N 1 0 383.481 1.645 20 0 GDADRO Cn1nccc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571234329 953201119 /nfs/dbraw/zinc/20/11/19/953201119.db2.gz UMNPCCBXEGYJSL-DOMZBBRYSA-N 1 0 383.460 1.007 20 0 GDADRO Cc1nc[nH]c1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001571238905 953234057 /nfs/dbraw/zinc/23/40/57/953234057.db2.gz BYOAVXCGTYKBSF-IINYFYTJSA-N 1 0 384.419 1.430 20 0 GDADRO CCn1nccc1C(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571238965 953234455 /nfs/dbraw/zinc/23/44/55/953234455.db2.gz DETKLSMTWHCSRL-CQSZACIVSA-N 1 0 384.419 1.227 20 0 GDADRO Cc1n[nH]cc1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571239003 953234638 /nfs/dbraw/zinc/23/46/38/953234638.db2.gz DWULTFSGTDEIQZ-AWEZNQCLSA-N 1 0 384.419 1.432 20 0 GDADRO Cc1c[nH]c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)n1 ZINC001571239204 953237116 /nfs/dbraw/zinc/23/71/16/953237116.db2.gz HQPSZBVSSZNNQE-MEBBXXQBSA-N 1 0 384.419 1.288 20 0 GDADRO C[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571239225 953237158 /nfs/dbraw/zinc/23/71/58/953237158.db2.gz IBKYWGYWHUYERP-FZMZJTMJSA-N 1 0 384.419 1.227 20 0 GDADRO CN(C(=O)c1cnn(C)c1)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239402 953238979 /nfs/dbraw/zinc/23/89/79/953238979.db2.gz KLAYRMOMOMJGCJ-UHFFFAOYSA-N 1 0 384.419 1.132 20 0 GDADRO CC1(C)CN(C(=O)c2ncc[nH]2)C[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571239650 953241540 /nfs/dbraw/zinc/24/15/40/953241540.db2.gz PDRARZCAQXJQBW-AWEZNQCLSA-N 1 0 384.419 1.369 20 0 GDADRO Cn1cc(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cn1 ZINC001571241516 953247281 /nfs/dbraw/zinc/24/72/81/953247281.db2.gz BTHPNMMXOWHGGQ-UHFFFAOYSA-N 1 0 384.419 1.134 20 0 GDADRO O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ccn[nH]1 ZINC001571241527 953247428 /nfs/dbraw/zinc/24/74/28/953247428.db2.gz CAURPFBUBRBVLO-SMDDNHRTSA-N 1 0 384.419 1.417 20 0 GDADRO O=C(CCc1cn[nH]c1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571241797 953249562 /nfs/dbraw/zinc/24/95/62/953249562.db2.gz LXUAHBCQXWPVFH-AWEZNQCLSA-N 1 0 384.419 1.052 20 0 GDADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1=COCCO1 ZINC001571241887 953250760 /nfs/dbraw/zinc/25/07/60/953250760.db2.gz OMVHBACRIFFHQJ-OAHLLOKOSA-N 1 0 384.440 1.083 20 0 GDADRO Cn1ccc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)n1 ZINC001571242146 953253927 /nfs/dbraw/zinc/25/39/27/953253927.db2.gz VMQWYWSHTFLXPB-UHFFFAOYSA-N 1 0 384.419 1.134 20 0 GDADRO CCc1noc(C)c1C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1C ZINC001571242795 953259887 /nfs/dbraw/zinc/25/98/87/953259887.db2.gz ODVFPJOPTMHMGI-HZMBPMFUSA-N 1 0 384.444 1.446 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571244672 953265795 /nfs/dbraw/zinc/26/57/95/953265795.db2.gz DKZPZXUBHWWJJG-BXUZGUMPSA-N 1 0 384.469 1.216 20 0 GDADRO C[C@@H]1CN(C(=O)c2cnsn2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571244759 953266378 /nfs/dbraw/zinc/26/63/78/953266378.db2.gz HOVMFVLLFVTOMM-BXUZGUMPSA-N 1 0 384.469 1.359 20 0 GDADRO Cc1cc(N2CCC[C@@H](NC(=O)Cc3cscn3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571244783 953266550 /nfs/dbraw/zinc/26/65/50/953266550.db2.gz IMXWIWINIVUGOC-GFCCVEGCSA-N 1 0 384.469 1.354 20 0 GDADRO CCc1ncsc1C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571245180 953270460 /nfs/dbraw/zinc/27/04/60/953270460.db2.gz OYCZEJYGNCNPEA-LLVKDONJSA-N 1 0 384.469 1.419 20 0 GDADRO Cc1ncc(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)s1 ZINC001571245614 953275294 /nfs/dbraw/zinc/27/52/94/953275294.db2.gz WYTYUCASMAICHS-GFCCVEGCSA-N 1 0 384.469 1.734 20 0 GDADRO C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2ccns2)C1 ZINC001571246109 953279938 /nfs/dbraw/zinc/27/99/38/953279938.db2.gz TURSOYSIESSLFM-NEPJUHHUSA-N 1 0 384.469 1.493 20 0 GDADRO O=C(c1cccs1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571246177 953280804 /nfs/dbraw/zinc/28/08/04/953280804.db2.gz VNIVSGXFXRXUFP-HNNXBMFYSA-N 1 0 384.465 1.559 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CN(C(=O)CC2CCC2)CCO1 ZINC001571247633 953284773 /nfs/dbraw/zinc/28/47/73/953284773.db2.gz BFXQYGBFNIWDQZ-RDTXWAMCSA-N 1 0 384.484 1.762 20 0 GDADRO O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1cncnc1 ZINC001571247760 953286524 /nfs/dbraw/zinc/28/65/24/953286524.db2.gz DIAQMOAYKXGMFS-STQMWFEESA-N 1 0 384.469 1.549 20 0 GDADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC001571248305 953291331 /nfs/dbraw/zinc/29/13/31/953291331.db2.gz PXHJLZHEICMUQX-ZWKOTPCHSA-N 1 0 384.484 1.859 20 0 GDADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CN(C(=O)CC2(C)CC2)CCO1 ZINC001571248466 953293757 /nfs/dbraw/zinc/29/37/57/953293757.db2.gz UZYKNGDVISIKET-PBHICJAKSA-N 1 0 384.484 1.762 20 0 GDADRO Cc1noc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571248585 953295212 /nfs/dbraw/zinc/29/52/12/953295212.db2.gz HDCGTPAMSGGHPZ-HUUCEWRRSA-N 1 0 384.444 1.630 20 0 GDADRO CCN(C(=O)[C@H]1CCCCO1)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248777 953297320 /nfs/dbraw/zinc/29/73/20/953297320.db2.gz ZRHXAAVJZRTVJU-SJLPKXTDSA-N 1 0 384.484 1.859 20 0 GDADRO O=C([C@@H]1CCCCO1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571249150 953302001 /nfs/dbraw/zinc/30/20/01/953302001.db2.gz DYCSXHZQOQOGGX-ROUUACIJSA-N 1 0 384.484 1.907 20 0 GDADRO Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)oc1C ZINC001571249359 953304159 /nfs/dbraw/zinc/30/41/59/953304159.db2.gz OVPKTAIBLMLVQV-OCCSQVGLSA-N 1 0 384.444 1.488 20 0 GDADRO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)no1 ZINC001571250301 953310101 /nfs/dbraw/zinc/31/01/01/953310101.db2.gz QLPVOSQNCGZVNS-STQMWFEESA-N 1 0 384.444 1.522 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571251419 953317319 /nfs/dbraw/zinc/31/73/19/953317319.db2.gz XKYCFSYLQRZDKD-CABCVRRESA-N 1 0 384.488 1.254 20 0 GDADRO C[NH+]1CCC(CC(=O)N2CCC[C@H]2CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571252129 953323762 /nfs/dbraw/zinc/32/37/62/953323762.db2.gz IFFHSESSDQOBRV-INIZCTEOSA-N 1 0 384.488 1.397 20 0 GDADRO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571252263 953326587 /nfs/dbraw/zinc/32/65/87/953326587.db2.gz JDYDUDBUDSCZEL-CPUCHLNUSA-N 1 0 384.488 1.252 20 0 GDADRO Cc1nc(N2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)ccc1-c1nn[nH]n1 ZINC001571252866 953334132 /nfs/dbraw/zinc/33/41/32/953334132.db2.gz XMINUDZKMALTTA-HOCLYGCPSA-N 1 0 384.488 1.092 20 0 GDADRO Cc1ocnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571254484 953338868 /nfs/dbraw/zinc/33/88/68/953338868.db2.gz GWPWZBRCBURXEA-MEBBXXQBSA-N 1 0 385.403 1.553 20 0 GDADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1cocn1 ZINC001571255834 953355802 /nfs/dbraw/zinc/35/58/02/953355802.db2.gz UXUPZSXLMDKNJJ-LBPRGKRZSA-N 1 0 385.403 1.636 20 0 GDADRO O=C([O-])C[NH+]1CCC(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC001330227798 957719368 /nfs/dbraw/zinc/71/93/68/957719368.db2.gz MORKGDCZKUSTNL-UHFFFAOYSA-N 1 0 396.532 1.069 20 0 GDADRO C[NH+](C)CCn1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001263629708 960875242 /nfs/dbraw/zinc/87/52/42/960875242.db2.gz LVIJOQWWYSBWOO-OAQYLSRUSA-N 1 0 399.495 1.294 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1 ZINC000874417159 969394967 /nfs/dbraw/zinc/39/49/67/969394967.db2.gz GBMURRBHKHFRNB-SJORKVTESA-N 1 0 380.533 1.831 20 0 GDADRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c1 ZINC001604399771 973130960 /nfs/dbraw/zinc/13/09/60/973130960.db2.gz BXMXSXZVDLYQBH-CYBMUJFWSA-N 1 0 377.441 1.329 20 0 GDADRO C[C@@H](CNC(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1)C[NH+](C)C ZINC001592682005 979102204 /nfs/dbraw/zinc/10/22/04/979102204.db2.gz IRDKTKYQLJQALM-HNNXBMFYSA-N 1 0 377.489 1.212 20 0 GDADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001595483714 981213252 /nfs/dbraw/zinc/21/32/52/981213252.db2.gz PEQPQRZBPLDOHY-QGZVFWFLSA-N 1 0 389.500 1.451 20 0 GDADRO C[NH+]1CCN(Cc2ccc(C(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)cc2)CC1 ZINC000910181731 981776868 /nfs/dbraw/zinc/77/68/68/981776868.db2.gz VFVAZCHKMDGHFC-UHFFFAOYSA-N 1 0 388.512 1.055 20 0 GDADRO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001594516656 985910757 /nfs/dbraw/zinc/91/07/57/985910757.db2.gz QHCBEKBQBSOIFS-ZRZPHAQCSA-N 1 0 380.533 1.974 20 0 GDADRO CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001589623885 987518612 /nfs/dbraw/zinc/51/86/12/987518612.db2.gz SBRPPHMJJOGSCQ-KRWDZBQOSA-N 1 0 380.533 1.974 20 0 GDADRO C[NH+](C)Cc1ccc(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c2c1OC(F)(F)O2 ZINC001598253132 991040349 /nfs/dbraw/zinc/04/03/49/991040349.db2.gz WJWXOXOMHJFSFR-KBXCAEBGSA-N 1 0 398.406 1.993 20 0 GDADRO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)[O-])C1 ZINC001599696827 991160876 /nfs/dbraw/zinc/16/08/76/991160876.db2.gz CDDVCDRQDLNZMY-CJXDPKRBSA-N 1 0 375.469 1.339 20 0 GDADRO C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC001598588231 993415385 /nfs/dbraw/zinc/41/53/85/993415385.db2.gz TYTKDMSXOASWKF-BZSNNMDCSA-N 1 0 380.510 1.648 20 0 GDADRO C[N@@H+]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[C@@H](C(=O)[O-])C1 ZINC001598608485 993721225 /nfs/dbraw/zinc/72/12/25/993721225.db2.gz YVHCMSXWNKYLIN-KRWDZBQOSA-N 1 0 380.533 1.833 20 0 GDADRO COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001599231312 997860119 /nfs/dbraw/zinc/86/01/19/997860119.db2.gz RXDDWFFSWFTHBR-KRWDZBQOSA-N 1 0 397.560 1.769 20 0 GDADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000466914726 1126094504 /nfs/dbraw/zinc/09/45/04/1126094504.db2.gz ZBFSQFRBLVUOSQ-RTBURBONSA-N 1 0 377.510 1.418 20 0 GDADRO C[C@]1(n2cc(C[NH2+][C@@H](CO)Cc3ccc(F)cc3)cn2)CCS(=O)(=O)C1 ZINC000500248785 1126095314 /nfs/dbraw/zinc/09/53/14/1126095314.db2.gz IAZGBIPTXMWLOU-MSOLQXFVSA-N 1 0 381.473 1.249 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(S(C)(=O)=O)o2)cc1OC ZINC000873193345 1126120849 /nfs/dbraw/zinc/12/08/49/1126120849.db2.gz OCFLPDBCCSMSCL-GOSISDBHSA-N 1 0 383.466 1.784 20 0 GDADRO COC(=O)c1cnc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)cn1 ZINC001198229177 1126155557 /nfs/dbraw/zinc/15/55/57/1126155557.db2.gz JUVBCWHBJRXFDJ-IBGZPJMESA-N 1 0 375.425 1.364 20 0 GDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccc(S(N)(=O)=O)c2)cc1OC ZINC001474697637 1126204982 /nfs/dbraw/zinc/20/49/82/1126204982.db2.gz AEYSSXCZBPIAKY-IBGZPJMESA-N 1 0 394.493 1.435 20 0 GDADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1OC ZINC001656297585 1126257772 /nfs/dbraw/zinc/25/77/72/1126257772.db2.gz DQIHLOBXDSDVNE-HXUWFJFHSA-N 1 0 389.452 1.355 20 0 GDADRO CCS(=O)(=O)NCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000158335109 530531891 /nfs/dbraw/zinc/53/18/91/530531891.db2.gz SLELNUIMISEJMG-LLVKDONJSA-N 1 0 381.420 1.951 20 0 GDADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000158490323 530533477 /nfs/dbraw/zinc/53/34/77/530533477.db2.gz WZVIGBAEIQBOIS-HIFRSBDPSA-N 1 0 385.555 1.709 20 0 GDADRO C[C@@H](NC(=O)CCC(=O)N(C)CCC[NH3+])C(=O)c1ccc(Br)cc1 ZINC000158850498 530536989 /nfs/dbraw/zinc/53/69/89/530536989.db2.gz VQPHOSWZVQNZQA-GFCCVEGCSA-N 1 0 398.301 1.724 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1Br ZINC000158951607 530537598 /nfs/dbraw/zinc/53/75/98/530537598.db2.gz ZDLWRUXRKRQSQT-CYBMUJFWSA-N 1 0 391.331 1.883 20 0 GDADRO Cc1cc(N2C[C@@H](C(=O)N[C@@H](C[NH3+])C3CC3)CC2=O)ccc1Br ZINC000159183886 530541319 /nfs/dbraw/zinc/54/13/19/530541319.db2.gz SWSBLVPJIUILII-WFASDCNBSA-N 1 0 380.286 1.964 20 0 GDADRO CN(C(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161530064 530561428 /nfs/dbraw/zinc/56/14/28/530561428.db2.gz ORDXFBWMGKWZMD-YIONKMFJSA-N 1 0 385.917 1.750 20 0 GDADRO CN1CCN(C(=O)CSCc2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000162364807 530568005 /nfs/dbraw/zinc/56/80/05/530568005.db2.gz ZENMGEDQSSBKJQ-CYBMUJFWSA-N 1 0 390.322 1.923 20 0 GDADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000162478011 530568808 /nfs/dbraw/zinc/56/88/08/530568808.db2.gz AUGNLLUKBKCBGO-LBPRGKRZSA-N 1 0 387.303 1.602 20 0 GDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)CCO1 ZINC000162576722 530569681 /nfs/dbraw/zinc/56/96/81/530569681.db2.gz HSVOVDVSCDETNJ-SECBINFHSA-N 1 0 399.257 1.678 20 0 GDADRO C[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 ZINC000162770147 530571061 /nfs/dbraw/zinc/57/10/61/530571061.db2.gz BZRMPEZGGMLVDC-RBSFLKMASA-N 1 0 386.539 1.278 20 0 GDADRO CC(C)(O)C[NH+]1CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000171147583 530594957 /nfs/dbraw/zinc/59/49/57/530594957.db2.gz ZMMWWFCARRZPJP-UHFFFAOYSA-N 1 0 395.305 1.313 20 0 GDADRO COCCC[NH+]1CCC(NC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000171124877 530595144 /nfs/dbraw/zinc/59/51/44/530595144.db2.gz ZQCBBKAJZQSEOT-UHFFFAOYSA-N 1 0 386.290 1.228 20 0 GDADRO COCC[N@H+](C)CCNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000171211867 530595600 /nfs/dbraw/zinc/59/56/00/530595600.db2.gz UMSPVQMNTYJRHD-UHFFFAOYSA-N 1 0 390.315 1.798 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171813679 530603636 /nfs/dbraw/zinc/60/36/36/530603636.db2.gz QFPQGCFWSNAZIF-NSHDSACASA-N 1 0 380.290 1.691 20 0 GDADRO CO[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)[C@H](C[NH3+])C1 ZINC000167297566 530584220 /nfs/dbraw/zinc/58/42/20/530584220.db2.gz SXRMQPLTDMGKKV-QWRGUYRKSA-N 1 0 381.267 1.715 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000173201380 530626490 /nfs/dbraw/zinc/62/64/90/530626490.db2.gz MCRHMHGHUNXHGB-NSHDSACASA-N 1 0 394.310 1.502 20 0 GDADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000173307402 530627652 /nfs/dbraw/zinc/62/76/52/530627652.db2.gz SHXIGGCQQKPSKI-PBHICJAKSA-N 1 0 396.329 1.985 20 0 GDADRO CC[NH+]1CCN(CCNC(=O)c2ccc(I)cc2)CC1 ZINC000042590289 530629776 /nfs/dbraw/zinc/62/97/76/530629776.db2.gz FUGCLRNDTXTBBG-UHFFFAOYSA-N 1 0 387.265 1.659 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)CN1CC[NH+](C)CC1 ZINC000173455550 530630897 /nfs/dbraw/zinc/63/08/97/530630897.db2.gz HBYKAGDJWKLFOG-NSHDSACASA-N 1 0 381.329 1.550 20 0 GDADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC000043473183 530634999 /nfs/dbraw/zinc/63/49/99/530634999.db2.gz OUBFCYZHQWBHER-CYBMUJFWSA-N 1 0 388.559 1.707 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000043472666 530635143 /nfs/dbraw/zinc/63/51/43/530635143.db2.gz CZSFSGDSSLBXQA-CYBMUJFWSA-N 1 0 388.559 1.849 20 0 GDADRO CC[C@@H](O)C[NH+]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000174072178 530642824 /nfs/dbraw/zinc/64/28/24/530642824.db2.gz CTKJNFXPSDDWLV-LLVKDONJSA-N 1 0 385.262 1.981 20 0 GDADRO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2C)cc(Br)cc1S(N)(=O)=O ZINC000176299185 530681092 /nfs/dbraw/zinc/68/10/92/530681092.db2.gz KFGBTLFWKVKZDE-LLVKDONJSA-N 1 0 390.303 1.229 20 0 GDADRO C[C@H](CCNC(=O)CS[C@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1ccccc1 ZINC000174415620 530647527 /nfs/dbraw/zinc/64/75/27/530647527.db2.gz HRYRURGZLSQIMR-WBVHZDCISA-N 1 0 384.567 1.934 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000174538672 530650155 /nfs/dbraw/zinc/65/01/55/530650155.db2.gz FBQSDXVFYRSZTL-CQSZACIVSA-N 1 0 385.555 1.946 20 0 GDADRO C[NH+](C)C(C)(C)CNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000046565554 530651778 /nfs/dbraw/zinc/65/17/78/530651778.db2.gz ZOALGXGUIMBURQ-UHFFFAOYSA-N 1 0 381.274 1.615 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000047226843 530657107 /nfs/dbraw/zinc/65/71/07/530657107.db2.gz KEKPKKUEBXMDLT-JKSUJKDBSA-N 1 0 385.917 1.947 20 0 GDADRO COCCCS(=O)(=O)NCCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000175141322 530659411 /nfs/dbraw/zinc/65/94/11/530659411.db2.gz ZAXWRAMZVOVXRB-SFHVURJKSA-N 1 0 375.579 1.386 20 0 GDADRO CC(C)CC[NH+]1CCC(CNC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000175169860 530659673 /nfs/dbraw/zinc/65/96/73/530659673.db2.gz PQKXNTWHRRECNI-UHFFFAOYSA-N 1 0 387.571 1.901 20 0 GDADRO C[C@H](CNC(=O)NCc1nc(C(F)(F)F)cs1)C[NH+]1CCN(C)CC1 ZINC000175223271 530660986 /nfs/dbraw/zinc/66/09/86/530660986.db2.gz AFGXTMWCQSSCLO-LLVKDONJSA-N 1 0 379.452 1.845 20 0 GDADRO C[NH+]1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000047615547 530661397 /nfs/dbraw/zinc/66/13/97/530661397.db2.gz GDGNVEQTHBCSQH-LBPRGKRZSA-N 1 0 391.946 1.765 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000047773918 530662908 /nfs/dbraw/zinc/66/29/08/530662908.db2.gz OCKCLVQCSCCDDT-GJZGRUSLSA-N 1 0 385.555 1.892 20 0 GDADRO CC[NH+](CC)[C@@H](CNC(=O)NCCNS(C)(=O)=O)c1ccccc1Cl ZINC000047926679 530663862 /nfs/dbraw/zinc/66/38/62/530663862.db2.gz LTRWQIFAAJYLIF-HNNXBMFYSA-N 1 0 390.937 1.571 20 0 GDADRO C[C@@H](CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[NH+]1CCCC1 ZINC000048128743 530665527 /nfs/dbraw/zinc/66/55/27/530665527.db2.gz RVRXEKXFDBKTFJ-LSDHHAIUSA-N 1 0 385.555 1.892 20 0 GDADRO CC[NH+](CC)[C@@H](C)CNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000048106109 530665717 /nfs/dbraw/zinc/66/57/17/530665717.db2.gz CFPCNHBVZKURAB-ZDUSSCGKSA-N 1 0 389.543 1.229 20 0 GDADRO C[NH+](C)CC(C)(C)CNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000049946368 530674459 /nfs/dbraw/zinc/67/44/59/530674459.db2.gz VHPNUISYJGYMBY-UHFFFAOYSA-N 1 0 387.571 1.779 20 0 GDADRO COc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)ccc1Br ZINC000176042211 530675545 /nfs/dbraw/zinc/67/55/45/530675545.db2.gz MSISQWWQRMLGPG-JTQLQIEISA-N 1 0 384.274 1.995 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000176072192 530676168 /nfs/dbraw/zinc/67/61/68/530676168.db2.gz HXRIBEFDRDOWBA-UHFFFAOYSA-N 1 0 382.511 1.895 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)ccc1Br ZINC000176075436 530676391 /nfs/dbraw/zinc/67/63/91/530676391.db2.gz NXKSVCJKVAGDLA-ZDUSSCGKSA-N 1 0 394.269 1.869 20 0 GDADRO C[NH+](C)CCN1CCN(C(=O)c2ccccc2I)CC1 ZINC000053304699 530691315 /nfs/dbraw/zinc/69/13/15/530691315.db2.gz OCDGDVMFLKGMCP-UHFFFAOYSA-N 1 0 387.265 1.611 20 0 GDADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000053285539 530691563 /nfs/dbraw/zinc/69/15/63/530691563.db2.gz MIWIVTZRQXMQPS-CQSZACIVSA-N 1 0 387.571 1.834 20 0 GDADRO O=C(CC[N@@H+]1CCCN(c2nccs2)CC1)NC(=O)NCC(F)(F)F ZINC000177023687 530696271 /nfs/dbraw/zinc/69/62/71/530696271.db2.gz UUXVCQWDBSCNEZ-UHFFFAOYSA-N 1 0 379.408 1.433 20 0 GDADRO C[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[N@@H+]1C1CC1 ZINC000177157969 530698706 /nfs/dbraw/zinc/69/87/06/530698706.db2.gz LESGKFQVYAHNDU-VXGBXAGGSA-N 1 0 385.917 1.945 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)CCOc2ccccc2Br)CC1 ZINC000055045837 530703961 /nfs/dbraw/zinc/70/39/61/530703961.db2.gz 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394.310 1.502 20 0 GDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000106895414 530851880 /nfs/dbraw/zinc/85/18/80/530851880.db2.gz OSXXTGAPSWKCJZ-LLVKDONJSA-N 1 0 383.411 1.759 20 0 GDADRO Cc1cc(I)ccc1NC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107854854 530855107 /nfs/dbraw/zinc/85/51/07/530855107.db2.gz OYOIXMKIGKQWCQ-VXGBXAGGSA-N 1 0 385.249 1.689 20 0 GDADRO CC[N@@H+]1CC[C@@H](CNC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000107888220 530855153 /nfs/dbraw/zinc/85/51/53/530855153.db2.gz MMORNYUZZCEAKO-LBPRGKRZSA-N 1 0 396.285 1.633 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000186804758 530863409 /nfs/dbraw/zinc/86/34/09/530863409.db2.gz HRDHVMABQASTBI-UKRRQHHQSA-N 1 0 385.555 1.579 20 0 GDADRO COCCS(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000110123566 530866734 /nfs/dbraw/zinc/86/67/34/530866734.db2.gz WUPKJSGEELDHGR-UHFFFAOYSA-N 1 0 381.420 1.845 20 0 GDADRO C[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000110654189 530868540 /nfs/dbraw/zinc/86/85/40/530868540.db2.gz MFHFGMXGJKNHCP-GHMZBOCLSA-N 1 0 394.269 1.502 20 0 GDADRO C[N@@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000110653401 530868948 /nfs/dbraw/zinc/86/89/48/530868948.db2.gz GWZUYIXDMFRTAH-ZDUSSCGKSA-N 1 0 389.315 1.432 20 0 GDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000110994527 530871262 /nfs/dbraw/zinc/87/12/62/530871262.db2.gz HJLJCGMIUSEQIS-AWEZNQCLSA-N 1 0 380.539 1.980 20 0 GDADRO CN1C(=O)CCc2cc(C[NH2+]CCNS(=O)(=O)c3cccs3)ccc21 ZINC000187331250 530871388 /nfs/dbraw/zinc/87/13/88/530871388.db2.gz DJWBXWAGGIYYSZ-UHFFFAOYSA-N 1 0 379.507 1.725 20 0 GDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000110996621 530871509 /nfs/dbraw/zinc/87/15/09/530871509.db2.gz KHGHAHJOAIJXMY-DZGCQCFKSA-N 1 0 387.933 1.997 20 0 GDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)ncc1Cl ZINC000187496518 530873804 /nfs/dbraw/zinc/87/38/04/530873804.db2.gz GREALOPZQMNOCN-JTQLQIEISA-N 1 0 375.698 1.863 20 0 GDADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)Cc2c(F)cccc2F)CC1 ZINC000185437942 530841625 /nfs/dbraw/zinc/84/16/25/530841625.db2.gz ULYWUIUCCAOIGV-UHFFFAOYSA-N 1 0 375.485 1.800 20 0 GDADRO C[C@@H](CNC(=O)CSc1nnnn1CC(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000106014427 530845017 /nfs/dbraw/zinc/84/50/17/530845017.db2.gz SQDBZHWVXXIWQE-MNOVXSKESA-N 1 0 380.440 1.564 20 0 GDADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000116330618 530904144 /nfs/dbraw/zinc/90/41/44/530904144.db2.gz DXYDQKWBLRCKDQ-UHFFFAOYSA-N 1 0 388.555 1.772 20 0 GDADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000189116589 530908364 /nfs/dbraw/zinc/90/83/64/530908364.db2.gz BFIBYHAREKLCSX-CYBMUJFWSA-N 1 0 377.913 1.925 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2coc(C[NH3+])c2)s1 ZINC000187690516 530876214 /nfs/dbraw/zinc/87/62/14/530876214.db2.gz MZGHUKZZSKEBHZ-UHFFFAOYSA-N 1 0 385.511 1.803 20 0 GDADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000112540965 530882691 /nfs/dbraw/zinc/88/26/91/530882691.db2.gz RVSGYKCFURQRIN-AVGNSLFASA-N 1 0 388.917 1.939 20 0 GDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918766 530885214 /nfs/dbraw/zinc/88/52/14/530885214.db2.gz GCTIOCVYWYHWFP-CQSZACIVSA-N 1 0 385.555 1.749 20 0 GDADRO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000112924392 530885592 /nfs/dbraw/zinc/88/55/92/530885592.db2.gz JXMCBOHEESSVBB-JQWIXIFHSA-N 1 0 394.269 1.644 20 0 GDADRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cccc(I)c1 ZINC000188142487 530886721 /nfs/dbraw/zinc/88/67/21/530886721.db2.gz VYZONGHOJQLQKB-UHFFFAOYSA-N 1 0 382.267 1.910 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000189298281 530910998 /nfs/dbraw/zinc/91/09/98/530910998.db2.gz ZNFJEHHWFXLMII-LSDHHAIUSA-N 1 0 398.301 1.279 20 0 GDADRO Cc1[nH]c(=O)c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000188271729 530890421 /nfs/dbraw/zinc/89/04/21/530890421.db2.gz BQMNQDCFPIANBQ-NSHDSACASA-N 1 0 385.306 1.614 20 0 GDADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1[nH]nc2c1C[NH2+]CC2 ZINC000188443171 530894270 /nfs/dbraw/zinc/89/42/70/530894270.db2.gz DNAUSNYUJIMSHI-VIFPVBQESA-N 1 0 385.251 1.532 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000188458483 530894859 /nfs/dbraw/zinc/89/48/59/530894859.db2.gz LFZVZGPQXLKTPI-IUODEOHRSA-N 1 0 380.286 1.874 20 0 GDADRO Cc1c(Br)cccc1CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000188517069 530895360 /nfs/dbraw/zinc/89/53/60/530895360.db2.gz XNDAFQKBLBBKHJ-UHFFFAOYSA-N 1 0 382.302 1.532 20 0 GDADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000190379482 530929595 /nfs/dbraw/zinc/92/95/95/530929595.db2.gz SAVAMJSRGDLOIX-IRXDYDNUSA-N 1 0 390.933 1.746 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000190446696 530930387 /nfs/dbraw/zinc/93/03/87/530930387.db2.gz SNCSUJNDLSVFDR-JTQLQIEISA-N 1 0 382.258 1.706 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCc2ccc(Br)cc21)C1CC1 ZINC000118100383 530916300 /nfs/dbraw/zinc/91/63/00/530916300.db2.gz PBWUKVJXAGJRLR-HNNXBMFYSA-N 1 0 380.286 1.795 20 0 GDADRO CS(=O)(=O)N1CC(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000189690820 530918865 /nfs/dbraw/zinc/91/88/65/530918865.db2.gz ZARFXFWHJHFMQB-UHFFFAOYSA-N 1 0 399.314 1.820 20 0 GDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000118796154 530918959 /nfs/dbraw/zinc/91/89/59/530918959.db2.gz SWTBLTMTRNQPNA-JTQLQIEISA-N 1 0 380.440 1.952 20 0 GDADRO C[C@H]1CN([C@H](C(N)=O)c2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000189938236 530922168 /nfs/dbraw/zinc/92/21/68/530922168.db2.gz WSPWZDQLXQRYFP-WFASDCNBSA-N 1 0 384.318 1.753 20 0 GDADRO C[C@@H](CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000190002473 530924175 /nfs/dbraw/zinc/92/41/75/530924175.db2.gz ROOBANLXRVXDJW-ZDUSSCGKSA-N 1 0 379.448 1.706 20 0 GDADRO C[NH+](C)CCn1nnnc1S[C@H](C(N)=O)c1cccc(Br)c1 ZINC000119257993 530924166 /nfs/dbraw/zinc/92/41/66/530924166.db2.gz TUQJZVMMHJDJSH-NSHDSACASA-N 1 0 385.291 1.316 20 0 GDADRO CSCC[C@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000119414049 530925328 /nfs/dbraw/zinc/92/53/28/530925328.db2.gz SWPBXTPOFYJITB-PWSUYJOCSA-N 1 0 377.304 1.385 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000119516681 530926657 /nfs/dbraw/zinc/92/66/57/530926657.db2.gz OIOFAMICBQXSFS-UHFFFAOYSA-N 1 0 389.949 1.317 20 0 GDADRO CCOc1c(Br)cc(C[NH2+]CCS(=O)(=O)NC)cc1OC ZINC000190306506 530928092 /nfs/dbraw/zinc/92/80/92/530928092.db2.gz VXIYNMKXJZPXNE-UHFFFAOYSA-N 1 0 381.292 1.495 20 0 GDADRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000191989757 530958055 /nfs/dbraw/zinc/95/80/55/530958055.db2.gz FAGYIMHMEAODEU-WDEREUQCSA-N 1 0 394.324 1.810 20 0 GDADRO C[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccs1)C[NH+]1CCCCC1 ZINC000122052548 530965690 /nfs/dbraw/zinc/96/56/90/530965690.db2.gz RLLXDRMGBCAOTC-AWEZNQCLSA-N 1 0 388.559 1.448 20 0 GDADRO Cn1nc(Br)cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000192155916 530963419 /nfs/dbraw/zinc/96/34/19/530963419.db2.gz BLIDJALHFPNQGJ-TZMCWYRMSA-N 1 0 385.306 1.680 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000121889179 530963569 /nfs/dbraw/zinc/96/35/69/530963569.db2.gz FJNABKGAYQDULN-WDEREUQCSA-N 1 0 379.935 1.750 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000121893689 530963573 /nfs/dbraw/zinc/96/35/73/530963573.db2.gz XMECOEVSUZPQEK-NHYWBVRUSA-N 1 0 393.285 1.887 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CNS(=O)(=O)c1cccs1)Cc1ccccc1 ZINC000120679646 530944418 /nfs/dbraw/zinc/94/44/18/530944418.db2.gz AWVYRWBWLXYIQP-OAHLLOKOSA-N 1 0 381.523 1.316 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)C1 ZINC000191351970 530947395 /nfs/dbraw/zinc/94/73/95/530947395.db2.gz HVVCDMMBKOGPQS-SECBINFHSA-N 1 0 392.308 1.997 20 0 GDADRO Cc1cccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)c1Br ZINC000120930397 530947720 /nfs/dbraw/zinc/94/77/20/530947720.db2.gz LMOLMODPYUPVSW-UHFFFAOYSA-N 1 0 398.301 1.925 20 0 GDADRO COCc1c(Br)cccc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000120989652 530948294 /nfs/dbraw/zinc/94/82/94/530948294.db2.gz RNBZTSWIAVSFEJ-UHFFFAOYSA-N 1 0 386.290 1.944 20 0 GDADRO COc1ccsc1S(=O)(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000121352704 530954886 /nfs/dbraw/zinc/95/48/86/530954886.db2.gz AMLZXAZUOYEDSQ-LSDHHAIUSA-N 1 0 382.507 1.670 20 0 GDADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000191902062 530956741 /nfs/dbraw/zinc/95/67/41/530956741.db2.gz OICVGWLFNLUXDV-GBIKHYSHSA-N 1 0 385.258 1.774 20 0 GDADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000192818933 530974100 /nfs/dbraw/zinc/97/41/00/530974100.db2.gz ZMYPZTPBRUEMOS-LSDHHAIUSA-N 1 0 398.345 1.794 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000193387076 530985274 /nfs/dbraw/zinc/98/52/74/530985274.db2.gz WNYAYCACUJAVTR-LBPRGKRZSA-N 1 0 383.290 1.973 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Br)cc4c3OCC4)C[C@@H]2C1 ZINC000192918074 530975819 /nfs/dbraw/zinc/97/58/19/530975819.db2.gz RCSFKINPUAACDW-TXEJJXNPSA-N 1 0 387.299 1.566 20 0 GDADRO COc1ccc(Br)cc1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000192916600 530975843 /nfs/dbraw/zinc/97/58/43/530975843.db2.gz UOAYPANVNWLXSR-PHIMTYICSA-N 1 0 375.288 1.640 20 0 GDADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000192914918 530975974 /nfs/dbraw/zinc/97/59/74/530975974.db2.gz SBJXOEXTFVBHMT-TXEJJXNPSA-N 1 0 380.491 1.870 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Br)cnc3Cl)C[C@@H]2C1 ZINC000192923359 530976543 /nfs/dbraw/zinc/97/65/43/530976543.db2.gz LQVOWBCUQPJURZ-DTORHVGOSA-N 1 0 380.695 1.680 20 0 GDADRO CC[NH+]1CCN(CCNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000193100993 530979440 /nfs/dbraw/zinc/97/94/40/530979440.db2.gz USFDDVCJBSYONT-UHFFFAOYSA-N 1 0 376.320 1.365 20 0 GDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)C1 ZINC000193391441 530985437 /nfs/dbraw/zinc/98/54/37/530985437.db2.gz LBUBRENRQRGCMI-GFCCVEGCSA-N 1 0 383.290 1.891 20 0 GDADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000123194255 530980694 /nfs/dbraw/zinc/98/06/94/530980694.db2.gz YXSVMGFGXZONIN-CQSZACIVSA-N 1 0 394.216 1.095 20 0 GDADRO C[C@@H]([NH3+])CCC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000193177806 530981136 /nfs/dbraw/zinc/98/11/36/530981136.db2.gz CCJPVXSLHIDVGU-LLVKDONJSA-N 1 0 394.324 1.954 20 0 GDADRO Cc1nc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)ccc1Br ZINC000193281169 530983318 /nfs/dbraw/zinc/98/33/18/530983318.db2.gz BZTXWFZPWFGZDD-UHFFFAOYSA-N 1 0 399.289 1.054 20 0 GDADRO Cn1c2ccc(C[NH2+]CCc3ccc(S(N)(=O)=O)cc3)cc2sc1=O ZINC000192674725 530971787 /nfs/dbraw/zinc/97/17/87/530971787.db2.gz PCYYCPIZOAIISN-UHFFFAOYSA-N 1 0 377.491 1.580 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)c2cnn3cc(Br)cnc23)C[C@H](C)O1 ZINC000124394090 530995092 /nfs/dbraw/zinc/99/50/92/530995092.db2.gz PQKOQYVUPPXYJA-RYUDHWBXSA-N 1 0 396.289 1.721 20 0 GDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000125391670 531005037 /nfs/dbraw/zinc/00/50/37/531005037.db2.gz CMFONPUEMWRCJW-CYBMUJFWSA-N 1 0 376.544 1.653 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000125507824 531007172 /nfs/dbraw/zinc/00/71/72/531007172.db2.gz KSOGETDNMYGQLX-JTQLQIEISA-N 1 0 380.242 1.256 20 0 GDADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194744846 531009121 /nfs/dbraw/zinc/00/91/21/531009121.db2.gz CHWVTOJLXLKMOC-DLBZAZTESA-N 1 0 382.551 1.545 20 0 GDADRO [NH3+]CCc1nc(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)cs1 ZINC000194790015 531009972 /nfs/dbraw/zinc/00/99/72/531009972.db2.gz NJARJTWFJZFNMV-UHFFFAOYSA-N 1 0 380.436 1.371 20 0 GDADRO CC(C)[C@@H](CNS(=O)(=O)c1cccc2nsnc21)N1CC[NH+](C)CC1 ZINC000194785616 531010048 /nfs/dbraw/zinc/01/00/48/531010048.db2.gz FQXQKFJCJNPGIR-CQSZACIVSA-N 1 0 383.543 1.242 20 0 GDADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000194805755 531010761 /nfs/dbraw/zinc/01/07/61/531010761.db2.gz VMJKJCXXVZLIHE-UHFFFAOYSA-N 1 0 383.543 1.386 20 0 GDADRO O=C(CCN1CCCS1(=O)=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000194908440 531011974 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CC(C)[C@@](C)(C[NH3+])NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000236809577 531040355 /nfs/dbraw/zinc/04/03/55/531040355.db2.gz ZGRPIWZZFAQXBV-QGZVFWFLSA-N 1 0 396.285 1.925 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)c(Br)c1 ZINC000236999276 531041998 /nfs/dbraw/zinc/04/19/98/531041998.db2.gz KMUWPOKAFPQNFA-LBPRGKRZSA-N 1 0 391.287 1.641 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@]2(C)CCCC[NH2+]2)s1 ZINC000236992810 531042090 /nfs/dbraw/zinc/04/20/90/531042090.db2.gz GYDQUXXAOVWKKS-KRWDZBQOSA-N 1 0 387.571 1.970 20 0 GDADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237096361 531042656 /nfs/dbraw/zinc/04/26/56/531042656.db2.gz OPWQWTZRBCHXBK-LBPRGKRZSA-N 1 0 381.274 1.631 20 0 GDADRO COC(=O)c1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c[nH]1 ZINC000237164726 531043591 /nfs/dbraw/zinc/04/35/91/531043591.db2.gz OECNRUPCZKTKKT-UHFFFAOYSA-N 1 0 383.392 1.453 20 0 GDADRO COCC[NH2+]CC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000237226151 531044140 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GDADRO C[C@@H](C[NH3+])CNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000237391950 531045996 /nfs/dbraw/zinc/04/59/96/531045996.db2.gz ZISPHIVSWNKXJN-ZDUSSCGKSA-N 1 0 381.523 1.594 20 0 GDADRO CS(=O)(=O)NCCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000237382544 531046001 /nfs/dbraw/zinc/04/60/01/531046001.db2.gz OXIBIPGAYZYYEP-UHFFFAOYSA-N 1 0 375.288 1.754 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000237553119 531047795 /nfs/dbraw/zinc/04/77/95/531047795.db2.gz RDBCOQIZMVXRCZ-ZWNOBZJWSA-N 1 0 377.304 1.258 20 0 GDADRO C[C@@](C[NH3+])(NC(=O)CN1c2ccc(Br)cc2OCC1=O)C1CC1 ZINC000237625024 531048578 /nfs/dbraw/zinc/04/85/78/531048578.db2.gz DDDLQGPRQBZKPE-INIZCTEOSA-N 1 0 382.258 1.418 20 0 GDADRO C[C@@H]1CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)[C@H](C)C[NH2+]1 ZINC000237601147 531048810 /nfs/dbraw/zinc/04/88/10/531048810.db2.gz FBSQONMUECBVQS-NXEZZACHSA-N 1 0 380.242 1.254 20 0 GDADRO C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000237603761 531048978 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Cc1ccc(Br)cc1NC(=O)CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237785392 531050236 /nfs/dbraw/zinc/05/02/36/531050236.db2.gz RXGOROBUDBZHII-CQSZACIVSA-N 1 0 398.301 1.971 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000237829162 531050641 /nfs/dbraw/zinc/05/06/41/531050641.db2.gz QQGCEQNDFVAONS-ZDUSSCGKSA-N 1 0 393.285 1.889 20 0 GDADRO [NH3+]C[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000237832447 531050854 /nfs/dbraw/zinc/05/08/54/531050854.db2.gz UUCMAFOBKRAAAQ-AWEZNQCLSA-N 1 0 389.315 1.704 20 0 GDADRO [NH3+]C[C@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000237859198 531051504 /nfs/dbraw/zinc/05/15/04/531051504.db2.gz RZLGEVAWAHZWMS-LBPRGKRZSA-N 1 0 380.297 1.515 20 0 GDADRO O=S(=O)(NC1C[NH2+]C1)c1c(Br)cc(F)cc1Br ZINC000237907604 531052054 /nfs/dbraw/zinc/05/20/54/531052054.db2.gz JXCLHOPQBWPFQP-UHFFFAOYSA-N 1 0 388.056 1.601 20 0 GDADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000238005670 531053492 /nfs/dbraw/zinc/05/34/92/531053492.db2.gz 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CN(C(=O)C(=O)Nc1c(F)cc(Br)cc1F)C1CC[NH2+]CC1 ZINC000415326369 531475746 /nfs/dbraw/zinc/47/57/46/531475746.db2.gz MNIQEVITRJECDB-UHFFFAOYSA-N 1 0 376.201 1.876 20 0 GDADRO CN(C)Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)cc1Br ZINC000415329940 531475796 /nfs/dbraw/zinc/47/57/96/531475796.db2.gz KNCJBSQTVASZCB-LBPRGKRZSA-N 1 0 397.317 1.565 20 0 GDADRO COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000415343453 531476335 /nfs/dbraw/zinc/47/63/35/531476335.db2.gz BPMJPEQJBUBSFC-QWRGUYRKSA-N 1 0 384.274 1.901 20 0 GDADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415343963 531476782 /nfs/dbraw/zinc/47/67/82/531476782.db2.gz VBUCHPFWGWWJIU-LLVKDONJSA-N 1 0 392.257 1.394 20 0 GDADRO COc1cc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc(OC)c1Br ZINC000415340810 531477004 /nfs/dbraw/zinc/47/70/04/531477004.db2.gz FQMCWEXICDULEJ-VIFPVBQESA-N 1 0 386.246 1.225 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415350786 531477214 /nfs/dbraw/zinc/47/72/14/531477214.db2.gz GKBUSLHQPKJNSQ-VIFPVBQESA-N 1 0 386.246 1.212 20 0 GDADRO C[C@@H](CNC(=O)CN1C(=O)COc2cc(Br)ccc21)C[NH+](C)C ZINC000294069138 531460595 /nfs/dbraw/zinc/46/05/95/531460595.db2.gz HKCXCFAXVDZCIU-NSHDSACASA-N 1 0 384.274 1.488 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000414675568 531461193 /nfs/dbraw/zinc/46/11/93/531461193.db2.gz GEXFCMJSZWQAOH-NSHDSACASA-N 1 0 390.893 1.220 20 0 GDADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(Br)cc1Br ZINC000414704998 531462639 /nfs/dbraw/zinc/46/26/39/531462639.db2.gz ZQEKSIYLTGTRFM-QMMMGPOBSA-N 1 0 381.068 1.995 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N(CC[NH3+])CCO)ccc1Cl ZINC000414719673 531463013 /nfs/dbraw/zinc/46/30/13/531463013.db2.gz WBDVSDJBZGAWAZ-UHFFFAOYSA-N 1 0 392.909 1.155 20 0 GDADRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CCSC1 ZINC000267946277 531463325 /nfs/dbraw/zinc/46/33/25/531463325.db2.gz IJSJEYZJVLQSMU-MRXNPFEDSA-N 1 0 386.543 1.295 20 0 GDADRO C[C@@H](C[NH2+]CCS(=O)(=O)NCC1CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449121705 531465856 /nfs/dbraw/zinc/46/58/56/531465856.db2.gz IQWIQBYUUWCHQQ-AWEZNQCLSA-N 1 0 388.555 1.503 20 0 GDADRO COc1ccc(Br)c(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000415075417 531466043 /nfs/dbraw/zinc/46/60/43/531466043.db2.gz FFLMVCYWZIXNAA-NSHDSACASA-N 1 0 399.289 1.777 20 0 GDADRO C[N@@H+]1CCC[C@@H](N2CCN([C@H](C(N)=O)c3ccc(Br)cc3)CC2)C1 ZINC000362946832 531466766 /nfs/dbraw/zinc/46/67/66/531466766.db2.gz ZWAHRACICVCHAW-SJORKVTESA-N 1 0 395.345 1.687 20 0 GDADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCC(=O)NC1 ZINC000449135775 531466886 /nfs/dbraw/zinc/46/68/86/531466886.db2.gz RKARJTXLDFXEML-MFKMUULPSA-N 1 0 384.274 1.331 20 0 GDADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCn2cc(Br)cn2)cc1 ZINC000415220399 531467704 /nfs/dbraw/zinc/46/77/04/531467704.db2.gz XDCXTXSFTNUCAT-JTQLQIEISA-N 1 0 380.246 1.420 20 0 GDADRO CCOC(=O)c1cc(C[NH2+]CCNS(=O)(=O)c2ccc(C)s2)[nH]c1C ZINC000449200896 531467892 /nfs/dbraw/zinc/46/78/92/531467892.db2.gz HTKRKJPONWEMAT-UHFFFAOYSA-N 1 0 385.511 1.938 20 0 GDADRO C[C@]([NH3+])(C(=O)NCCCN1C(=O)CCC1=O)c1ccc(Br)cc1 ZINC000294255522 531469452 /nfs/dbraw/zinc/46/94/52/531469452.db2.gz ZJWAKVBXQDOERG-MRXNPFEDSA-N 1 0 382.258 1.278 20 0 GDADRO CCCOc1ccc(Br)cc1C[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000449407328 531470220 /nfs/dbraw/zinc/47/02/20/531470220.db2.gz GTFKXZYXAGHJDI-OAHLLOKOSA-N 1 0 392.315 1.877 20 0 GDADRO CS(=O)(=O)CC1CCC([NH2+]CCn2cc(Br)ccc2=O)CC1 ZINC000449381961 531470437 /nfs/dbraw/zinc/47/04/37/531470437.db2.gz ZZMGBFNHTRBPIV-UHFFFAOYSA-N 1 0 391.331 1.804 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Br)C1 ZINC000415294013 531472546 /nfs/dbraw/zinc/47/25/46/531472546.db2.gz NJKAZMULXQSGCO-SSDOTTSWSA-N 1 0 396.163 1.846 20 0 GDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)nn1-c1ccc(Cl)cc1Cl ZINC000415299995 531472678 /nfs/dbraw/zinc/47/26/78/531472678.db2.gz ZYIWUMBGVGZTLA-LLVKDONJSA-N 1 0 382.251 1.986 20 0 GDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(c(Br)c1)OCO2 ZINC000363103269 531472824 /nfs/dbraw/zinc/47/28/24/531472824.db2.gz FYPYKFCYAUGEHP-VXGBXAGGSA-N 1 0 383.242 1.771 20 0 GDADRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 ZINC000415296311 531472895 /nfs/dbraw/zinc/47/28/95/531472895.db2.gz SBEACORRKQYWEV-MRVPVSSYSA-N 1 0 380.164 1.966 20 0 GDADRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449601340 531473004 /nfs/dbraw/zinc/47/30/04/531473004.db2.gz RECRWAKHYBNOCS-GHMZBOCLSA-N 1 0 382.295 1.762 20 0 GDADRO CN1CCN([C@H](C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)c2cccs2)CC1 ZINC000540403328 531473043 /nfs/dbraw/zinc/47/30/43/531473043.db2.gz GATBEFJZMMJBDP-NUJGCVRESA-N 1 0 385.599 1.982 20 0 GDADRO COc1cc(Br)c(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1OC ZINC000415354008 531478470 /nfs/dbraw/zinc/47/84/70/531478470.db2.gz MYGJUVUOAFOAGF-SECBINFHSA-N 1 0 386.246 1.212 20 0 GDADRO C[NH+](C)CCCN(C(=O)CCSc1ccccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000268146355 531479017 /nfs/dbraw/zinc/47/90/17/531479017.db2.gz FFCVHLRWHQBYJZ-OAHLLOKOSA-N 1 0 385.555 1.531 20 0 GDADRO COC(=O)c1cc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c(C)cc1Br ZINC000415365011 531479158 /nfs/dbraw/zinc/47/91/58/531479158.db2.gz VDWSYBYZRRGTCV-VIFPVBQESA-N 1 0 386.246 1.336 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000487979237 531480606 /nfs/dbraw/zinc/48/06/06/531480606.db2.gz ZMGONHAOJZVIRP-RCCFBDPRSA-N 1 0 376.563 1.954 20 0 GDADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415382012 531481406 /nfs/dbraw/zinc/48/14/06/531481406.db2.gz OTIYLEFFGOKALV-UHFFFAOYSA-N 1 0 390.209 1.167 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000415381116 531481625 /nfs/dbraw/zinc/48/16/25/531481625.db2.gz UDKPQUIMBUWVSY-ZETCQYMHSA-N 1 0 395.628 1.737 20 0 GDADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000415384971 531481677 /nfs/dbraw/zinc/48/16/77/531481677.db2.gz UENRBKXWBRBWAG-UHFFFAOYSA-N 1 0 399.289 1.078 20 0 GDADRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000488165779 531483002 /nfs/dbraw/zinc/48/30/02/531483002.db2.gz IAKCEDJODVUDIC-JKSUJKDBSA-N 1 0 377.551 1.054 20 0 GDADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363370563 531483149 /nfs/dbraw/zinc/48/31/49/531483149.db2.gz LBQZGLLPVHXXBQ-LSDHHAIUSA-N 1 0 378.416 1.988 20 0 GDADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415405403 531483239 /nfs/dbraw/zinc/48/32/39/531483239.db2.gz OCXZGCRKXUYDND-NSHDSACASA-N 1 0 380.286 1.992 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)ccc2N2CCCC2)CC[NH2+]1 ZINC000415408669 531483489 /nfs/dbraw/zinc/48/34/89/531483489.db2.gz CMURPTXGNYOWIH-GFCCVEGCSA-N 1 0 395.301 1.808 20 0 GDADRO COc1ccc(Br)c(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000415411805 531483863 /nfs/dbraw/zinc/48/38/63/531483863.db2.gz LWPMPVPVHFQLAE-LLVKDONJSA-N 1 0 384.274 1.902 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000415415682 531484344 /nfs/dbraw/zinc/48/43/44/531484344.db2.gz ITVHGHUFNNBWOE-JTQLQIEISA-N 1 0 380.246 1.379 20 0 GDADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415411158 531484509 /nfs/dbraw/zinc/48/45/09/531484509.db2.gz AWXSSUQHFGEMGR-JTQLQIEISA-N 1 0 380.246 1.379 20 0 GDADRO COc1cc(OC)c(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1Br ZINC000415440260 531485916 /nfs/dbraw/zinc/48/59/16/531485916.db2.gz NWKFRJHDQFRNNC-SNVBAGLBSA-N 1 0 388.262 1.504 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)CC[C@H]1[NH3+] ZINC000415437530 531486226 /nfs/dbraw/zinc/48/62/26/531486226.db2.gz CLHDPTUASDXURV-VHSXEESVSA-N 1 0 381.889 1.936 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc(F)c1I)C1CC1 ZINC000415441935 531487164 /nfs/dbraw/zinc/48/71/64/531487164.db2.gz GEORWPVNRBXCIV-SNVBAGLBSA-N 1 0 391.184 1.222 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415551356 531493500 /nfs/dbraw/zinc/49/35/00/531493500.db2.gz LBESNGOFZIEAQO-SECBINFHSA-N 1 0 375.210 1.392 20 0 GDADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CC[C@@H]1[NH3+] ZINC000415451863 531488235 /nfs/dbraw/zinc/48/82/35/531488235.db2.gz KTLFJGXBJOZATB-CPCISQLKSA-N 1 0 376.201 1.862 20 0 GDADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415467018 531488428 /nfs/dbraw/zinc/48/84/28/531488428.db2.gz TZJYZTBWYXQZNS-UHFFFAOYSA-N 1 0 394.273 1.486 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC[N@H+]2CC=CCC2)s1 ZINC000280353104 531489664 /nfs/dbraw/zinc/48/96/64/531489664.db2.gz XLGONCIZJOXTBP-HNNXBMFYSA-N 1 0 383.539 1.588 20 0 GDADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)NC)C1)CC(C)C ZINC000363534148 531490317 /nfs/dbraw/zinc/49/03/17/531490317.db2.gz LAUVQTBKQIGZOZ-JKSUJKDBSA-N 1 0 376.567 1.466 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000415500864 531490668 /nfs/dbraw/zinc/49/06/68/531490668.db2.gz LQXBUPURQJERFW-GFCCVEGCSA-N 1 0 389.905 1.514 20 0 GDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000280366419 531490728 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GDADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000415541666 531492994 /nfs/dbraw/zinc/49/29/94/531492994.db2.gz OELPIENYZZXKHP-ZJUUUORDSA-N 1 0 381.274 1.856 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)C1 ZINC000415354664 531478345 /nfs/dbraw/zinc/47/83/45/531478345.db2.gz NWRAGFBONADIHV-SNVBAGLBSA-N 1 0 377.242 1.743 20 0 GDADRO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000658428187 531511192 /nfs/dbraw/zinc/51/11/92/531511192.db2.gz SKSCWWVNAACMKD-UHFFFAOYSA-N 1 0 375.300 1.932 20 0 GDADRO COC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1Br ZINC000415678203 531511733 /nfs/dbraw/zinc/51/17/33/531511733.db2.gz NXNIPIFXUHZGBT-MWLCHTKSSA-N 1 0 398.257 1.431 20 0 GDADRO COc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415677677 531511766 /nfs/dbraw/zinc/51/17/66/531511766.db2.gz MWYUNPXNCGJAPX-LLVKDONJSA-N 1 0 384.274 1.984 20 0 GDADRO O=S1(=O)C[C@H]([NH2+]CCc2c(Cl)cccc2Cl)[C@@H](N2CCOCC2)C1 ZINC000294978204 531512180 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CCC[NH+]1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)NCC)CC1 ZINC000491153332 531549002 /nfs/dbraw/zinc/54/90/02/531549002.db2.gz CYXCJWWDUQNCBT-UHFFFAOYSA-N 1 0 389.543 1.138 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000659453880 531549163 /nfs/dbraw/zinc/54/91/63/531549163.db2.gz UYBDPGSXGRNNCQ-GFCCVEGCSA-N 1 0 385.306 1.705 20 0 GDADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC(O)(C[NH3+])CC2)c(Br)c1 ZINC000415886934 531549998 /nfs/dbraw/zinc/54/99/98/531549998.db2.gz MUKSQDKRNORQMC-UHFFFAOYSA-N 1 0 384.274 1.317 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659675801 531550168 /nfs/dbraw/zinc/55/01/68/531550168.db2.gz YBCIEGIGQWZXJF-GFCCVEGCSA-N 1 0 382.302 1.884 20 0 GDADRO CN(CC[NH3+])C(=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415882083 531550268 /nfs/dbraw/zinc/55/02/68/531550268.db2.gz WKQVYOFGSHEZFC-UHFFFAOYSA-N 1 0 394.273 1.244 20 0 GDADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000659679944 531550698 /nfs/dbraw/zinc/55/06/98/531550698.db2.gz 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O=C(Nc1cccc2cc(Br)cnc21)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415815895 531536007 /nfs/dbraw/zinc/53/60/07/531536007.db2.gz MLFXRYKLLJZORZ-RISCZKNCSA-N 1 0 389.253 1.756 20 0 GDADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000659696630 531555461 /nfs/dbraw/zinc/55/54/61/531555461.db2.gz FWKVFPZANFTQAL-UHFFFAOYSA-N 1 0 382.302 1.793 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659707033 531555567 /nfs/dbraw/zinc/55/55/67/531555567.db2.gz FVGIBCQZZXDWJG-LJRHVDQYSA-N 1 0 396.285 1.503 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C2 ZINC000659720206 531556660 /nfs/dbraw/zinc/55/66/60/531556660.db2.gz BTAWWSHZWFBZMT-BXUZGUMPSA-N 1 0 380.286 1.714 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)Cc2c(F)cccc2Cl)C1 ZINC000451157155 531557410 /nfs/dbraw/zinc/55/74/10/531557410.db2.gz HFACIQGETCQYMC-LBPRGKRZSA-N 1 0 391.896 1.486 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000659753577 531559201 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COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C)c(Br)c2)C1 ZINC000636677380 531571668 /nfs/dbraw/zinc/57/16/68/531571668.db2.gz SIWFNHNIZPBBKF-CQSZACIVSA-N 1 0 398.301 1.211 20 0 GDADRO C[C@@H]1CN(C(=O)C[NH+]2CCC(n3cc(Br)cn3)CC2)C[C@H](C)O1 ZINC000364528168 531572724 /nfs/dbraw/zinc/57/27/24/531572724.db2.gz GCAGEIWMOZTSOK-BETUJISGSA-N 1 0 385.306 1.918 20 0 GDADRO O=C(C[C@H]1C[NH2+]CCO1)NCc1ccc(I)c(Cl)c1 ZINC000583379608 531573941 /nfs/dbraw/zinc/57/39/41/531573941.db2.gz GPIQLQRKXKPEKC-JTQLQIEISA-N 1 0 394.640 1.939 20 0 GDADRO CNC(=O)C[C@@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000268841270 531576615 /nfs/dbraw/zinc/57/66/15/531576615.db2.gz MSHMMVXVOVBHKN-PWSUYJOCSA-N 1 0 392.237 1.145 20 0 GDADRO O=C(NCCCc1ccc(Br)cc1F)NCC[N@H+]1CC[C@H](O)C1 ZINC000636798638 531579772 /nfs/dbraw/zinc/57/97/72/531579772.db2.gz DRTDPLYUQRSVBB-AWEZNQCLSA-N 1 0 388.281 1.887 20 0 GDADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000660009106 531582493 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GDADRO C[C@](C[NH3+])(NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C1CC1 ZINC000269172011 531618079 /nfs/dbraw/zinc/61/80/79/531618079.db2.gz AFSITCGFEWJENC-LLVKDONJSA-N 1 0 382.305 1.015 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000494697119 531618343 /nfs/dbraw/zinc/61/83/43/531618343.db2.gz BKBRYHYZMXMPSI-RYUDHWBXSA-N 1 0 397.324 1.747 20 0 GDADRO C[C@@](C[NH3+])(NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C1CC1 ZINC000269172013 531618704 /nfs/dbraw/zinc/61/87/04/531618704.db2.gz AFSITCGFEWJENC-NSHDSACASA-N 1 0 382.305 1.015 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000494697121 531619079 /nfs/dbraw/zinc/61/90/79/531619079.db2.gz BKBRYHYZMXMPSI-VXGBXAGGSA-N 1 0 397.324 1.747 20 0 GDADRO O=C(NCC[NH2+]C1CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000637340461 531620224 /nfs/dbraw/zinc/62/02/24/531620224.db2.gz SFGJPUWEGOVQLP-UHFFFAOYSA-N 1 0 386.905 1.108 20 0 GDADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NCC[NH2+]C1CC1 ZINC000637347393 531620244 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531646778 /nfs/dbraw/zinc/64/67/78/531646778.db2.gz NDDHEGWLPJBYQO-GFCCVEGCSA-N 1 0 393.506 1.302 20 0 GDADRO C[NH+]1CCN(Cc2cccc(NCc3ccc(S(N)(=O)=O)s3)c2)CC1 ZINC000638191951 531647500 /nfs/dbraw/zinc/64/75/00/531647500.db2.gz FRKOVEKBUWQNKI-UHFFFAOYSA-N 1 0 380.539 1.755 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000560333058 531638658 /nfs/dbraw/zinc/63/86/58/531638658.db2.gz URNKYKAAIQYFAK-AWEZNQCLSA-N 1 0 386.543 1.159 20 0 GDADRO C[C@H]1CN(C(=O)NCc2n[nH]cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000560332463 531638957 /nfs/dbraw/zinc/63/89/57/531638957.db2.gz GWVJPXBMESYMIL-WFASDCNBSA-N 1 0 399.337 1.340 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638031419 531641033 /nfs/dbraw/zinc/64/10/33/531641033.db2.gz HGZNJDMFAHCLAM-CHWSQXEVSA-N 1 0 379.404 1.245 20 0 GDADRO C[C@H](CCSc1ccccc1)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000269310463 531641077 /nfs/dbraw/zinc/64/10/77/531641077.db2.gz HSWTZFFQRIILMP-KBAYOESNSA-N 1 0 384.567 1.645 20 0 GDADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C[NH3+] ZINC000638893266 531669788 /nfs/dbraw/zinc/66/97/88/531669788.db2.gz RNUVDONMQUNULI-LALPHHSUSA-N 1 0 380.286 1.855 20 0 GDADRO COC[C@]1(CNC(=O)c2ccc3cncc(Br)c3n2)CCC[NH2+]1 ZINC000638231930 531650637 /nfs/dbraw/zinc/65/06/37/531650637.db2.gz RBOGESGWTHVVKC-MRXNPFEDSA-N 1 0 379.258 1.891 20 0 GDADRO [NH3+]Cc1ncc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)cn1 ZINC000638413655 531652335 /nfs/dbraw/zinc/65/23/35/531652335.db2.gz CMZHAKPDYMUADN-UHFFFAOYSA-N 1 0 376.258 1.660 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000638492937 531654357 /nfs/dbraw/zinc/65/43/57/531654357.db2.gz RSVZAXQITAIGJF-CYBMUJFWSA-N 1 0 382.258 1.850 20 0 GDADRO O=C(c1cc(F)cc(Br)c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638478833 531654625 /nfs/dbraw/zinc/65/46/25/531654625.db2.gz PUPIJWQSXONVHA-UHFFFAOYSA-N 1 0 399.264 1.371 20 0 GDADRO Cc1oc(Br)cc1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638484581 531655113 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C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000282159693 531713331 /nfs/dbraw/zinc/71/33/31/531713331.db2.gz DHELPLSEZILWPR-GWNMQOMSSA-N 1 0 395.344 1.658 20 0 GDADRO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000663487081 531714301 /nfs/dbraw/zinc/71/43/01/531714301.db2.gz XQEGNSZMKLGUSD-GFCCVEGCSA-N 1 0 394.269 1.003 20 0 GDADRO O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)[C@H]1CCn2cncc2C1 ZINC000561626155 531715417 /nfs/dbraw/zinc/71/54/17/531715417.db2.gz HPMCBKHRXHHKOD-XHDPSFHLSA-N 1 0 389.253 1.740 20 0 GDADRO Cc1ncc([C@@H](C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)s1 ZINC000639994773 531715622 /nfs/dbraw/zinc/71/56/22/531715622.db2.gz FDMIIXPYIDNIQC-LLVKDONJSA-N 1 0 382.511 1.991 20 0 GDADRO C[NH+](C)CCn1nccc1NC(=O)NCCCn1cc(Br)cn1 ZINC000296711100 531716240 /nfs/dbraw/zinc/71/62/40/531716240.db2.gz AUMGUHMKCGYBRP-UHFFFAOYSA-N 1 0 384.282 1.616 20 0 GDADRO C[C@]1(NC(=O)C(=O)Nc2ccc3nccnc3c2Br)CC[NH2+]C1 ZINC000663609777 531716740 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O=S(=O)(NCC[NH2+]Cc1c[nH]c2nccnc12)c1ccc(F)cc1Cl ZINC000562206138 531740166 /nfs/dbraw/zinc/74/01/66/531740166.db2.gz NMGUMXAXNRTFFI-UHFFFAOYSA-N 1 0 383.836 1.770 20 0 GDADRO CNS(=O)(=O)CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000621285171 531742975 /nfs/dbraw/zinc/74/29/75/531742975.db2.gz QHKHUIMYLCCEFD-UHFFFAOYSA-N 1 0 391.331 1.979 20 0 GDADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(Br)c1)C[NH+](C)C ZINC000452004940 531743841 /nfs/dbraw/zinc/74/38/41/531743841.db2.gz LHRCKJUQYAZKBG-NSHDSACASA-N 1 0 392.319 1.041 20 0 GDADRO CCS(=O)(=O)CCCCC[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1 ZINC000366419407 531745060 /nfs/dbraw/zinc/74/50/60/531745060.db2.gz NMGJYZMZVYBPEG-SJORKVTESA-N 1 0 375.531 1.882 20 0 GDADRO CN1CC[C@@](O)(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000562313315 531745838 /nfs/dbraw/zinc/74/58/38/531745838.db2.gz OYSNDOKYWAUMLT-UKRRQHHQSA-N 1 0 389.315 1.324 20 0 GDADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000416945196 531746819 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Cc1cccc(C(=O)NCC[NH+]2CCC(O)CC2)c1I ZINC000297084279 531755446 /nfs/dbraw/zinc/75/54/46/531755446.db2.gz WDUMDCGQHUJGAM-UHFFFAOYSA-N 1 0 388.249 1.786 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417202441 531757505 /nfs/dbraw/zinc/75/75/05/531757505.db2.gz BIAXTZFNYWDNOC-BXUZGUMPSA-N 1 0 383.290 1.476 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000417210195 531758510 /nfs/dbraw/zinc/75/85/10/531758510.db2.gz QMTKUPRLBQUVPV-INIZCTEOSA-N 1 0 383.290 1.559 20 0 GDADRO [NH3+]CC1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000417208635 531759407 /nfs/dbraw/zinc/75/94/07/531759407.db2.gz OXNPGVJDCQWSRL-UHFFFAOYSA-N 1 0 383.290 1.559 20 0 GDADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCS(=O)(=O)c3ccc(Cl)cc3)C[C@@H]21 ZINC000417225964 531760760 /nfs/dbraw/zinc/76/07/60/531760760.db2.gz ZCUGSPUTPMOAHF-UHOFOFEASA-N 1 0 385.917 1.883 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621848595 531760843 /nfs/dbraw/zinc/76/08/43/531760843.db2.gz BXPSGKXEOVUWAR-UHFFFAOYSA-N 1 0 392.244 1.725 20 0 GDADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1csc(S(N)(=O)=O)c1 ZINC000640751269 531761105 /nfs/dbraw/zinc/76/11/05/531761105.db2.gz YYNNBKFYYXPEQX-UHFFFAOYSA-N 1 0 382.511 1.991 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621841262 531761288 /nfs/dbraw/zinc/76/12/88/531761288.db2.gz SOYUKEHTUCWGGV-DYVFJYSZSA-N 1 0 380.286 1.714 20 0 GDADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1C ZINC000452099537 531761509 /nfs/dbraw/zinc/76/15/09/531761509.db2.gz CJARUEDOFZZOQD-CQSZACIVSA-N 1 0 389.543 1.006 20 0 GDADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621848701 531761537 /nfs/dbraw/zinc/76/15/37/531761537.db2.gz FHCBZAPUEHBDFH-GFCCVEGCSA-N 1 0 390.228 1.607 20 0 GDADRO [NH3+][C@H](c1cn(CC(=O)Nc2ccccc2Br)nn1)[C@H]1CCCO1 ZINC000640769097 531762285 /nfs/dbraw/zinc/76/22/85/531762285.db2.gz JPPZGENOCJMGPG-UKRRQHHQSA-N 1 0 380.246 1.858 20 0 GDADRO COC[C@@H]([NH3+])Cc1cn(CC(=O)Nc2ccc(C)cc2Br)nn1 ZINC000640771887 531763185 /nfs/dbraw/zinc/76/31/85/531763185.db2.gz PKJVQOGPNJRXQU-NSHDSACASA-N 1 0 382.262 1.504 20 0 GDADRO C[NH+](C)CCOc1cc(CNC(=O)c2cc(Br)c[nH]c2=O)ccn1 ZINC000621936900 531763488 /nfs/dbraw/zinc/76/34/88/531763488.db2.gz PGFBUSHPYKUSMG-UHFFFAOYSA-N 1 0 395.257 1.815 20 0 GDADRO CN(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000269799700 531763674 /nfs/dbraw/zinc/76/36/74/531763674.db2.gz IXPKYXOOMQTGDC-UHFFFAOYSA-N 1 0 375.907 1.326 20 0 GDADRO NC(=O)c1cc(Br)cc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622015752 531764651 /nfs/dbraw/zinc/76/46/51/531764651.db2.gz ZYJLVAQXHZOGOB-YGRLFVJLSA-N 1 0 388.287 1.050 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000417305716 531765201 /nfs/dbraw/zinc/76/52/01/531765201.db2.gz XHBRFLUEFPFXKM-LLVKDONJSA-N 1 0 386.246 1.089 20 0 GDADRO COc1ncc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000592045512 531752001 /nfs/dbraw/zinc/75/20/01/531752001.db2.gz USACPNAQFUAQSK-KBPBESRZSA-N 1 0 391.946 1.944 20 0 GDADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000667400403 531780763 /nfs/dbraw/zinc/78/07/63/531780763.db2.gz SNTWMEFTMJWQKH-QPUJVOFHSA-N 1 0 376.240 1.515 20 0 GDADRO C[C@@H]1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000417404193 531768519 /nfs/dbraw/zinc/76/85/19/531768519.db2.gz DPTONYXLDHPQNB-IUODEOHRSA-N 1 0 397.317 1.948 20 0 GDADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000269813089 531768684 /nfs/dbraw/zinc/76/86/84/531768684.db2.gz MQJBWMKBXJHAMA-LBPRGKRZSA-N 1 0 376.450 1.247 20 0 GDADRO C[NH2+][C@H]1CCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417439094 531770928 /nfs/dbraw/zinc/77/09/28/531770928.db2.gz VILLWZCUIVVIGK-AWEZNQCLSA-N 1 0 383.290 1.572 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000269818188 531771082 /nfs/dbraw/zinc/77/10/82/531771082.db2.gz WSHYBGSYTVHDPO-JTQLQIEISA-N 1 0 382.939 1.319 20 0 GDADRO [NH3+]CC[C@H]1CCCN(C(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000417439742 531771178 /nfs/dbraw/zinc/77/11/78/531771178.db2.gz SSTBSXMILQQRKD-CYBMUJFWSA-N 1 0 397.317 1.949 20 0 GDADRO C[C@H]1CN(C(=O)NCCCNC(=O)c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000417436845 531771283 /nfs/dbraw/zinc/77/12/83/531771283.db2.gz PRDLHOAIEXLLGP-WFASDCNBSA-N 1 0 397.317 1.948 20 0 GDADRO C[C@@]1(C[NH3+])CCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000417438498 531771788 /nfs/dbraw/zinc/77/17/88/531771788.db2.gz TVERFPVYBFKISO-KRWDZBQOSA-N 1 0 397.317 1.949 20 0 GDADRO COc1ccc(Br)c(CC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000452364037 531772359 /nfs/dbraw/zinc/77/23/59/531772359.db2.gz AFWHARPVWCZRHR-AWEZNQCLSA-N 1 0 385.302 1.963 20 0 GDADRO O=C(NCCNC(=O)c1cccc(Br)c1)NCC[C@@H]1CC[NH2+]C1 ZINC000417441363 531772646 /nfs/dbraw/zinc/77/26/46/531772646.db2.gz UPVDILYWRABHLN-LBPRGKRZSA-N 1 0 383.290 1.478 20 0 GDADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000667266170 531772834 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O=C(NCc1ccc(Br)cc1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000562770361 531778620 /nfs/dbraw/zinc/77/86/20/531778620.db2.gz RHAASMLKDQEWLS-UHFFFAOYSA-N 1 0 391.273 1.970 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000667402770 531780090 /nfs/dbraw/zinc/78/00/90/531780090.db2.gz MOEOIQOMNQZRSG-MWLCHTKSSA-N 1 0 388.237 1.410 20 0 GDADRO CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000418087765 531801771 /nfs/dbraw/zinc/80/17/71/531801771.db2.gz ICMDUHBXYMZFJI-NSHDSACASA-N 1 0 379.404 1.742 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000417785093 531784607 /nfs/dbraw/zinc/78/46/07/531784607.db2.gz JECYUFPFTOTMOC-ZDUSSCGKSA-N 1 0 386.543 1.208 20 0 GDADRO COCC[C@H]([NH3+])Cc1cn(C[C@@H](O)COc2cccc(Br)c2)nn1 ZINC000641195850 531785333 /nfs/dbraw/zinc/78/53/33/531785333.db2.gz JQRNJALIMULNBQ-DZGCQCFKSA-N 1 0 399.289 1.387 20 0 GDADRO Cc1nc(C)c(S(=O)(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000366883161 531789139 /nfs/dbraw/zinc/78/91/39/531789139.db2.gz MSCLBFQWCWCCSD-UHFFFAOYSA-N 1 0 386.587 1.939 20 0 GDADRO [NH3+]CCOCc1cn(C[C@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641228611 531789526 /nfs/dbraw/zinc/78/95/26/531789526.db2.gz MGPQZSKDVRQQCH-ZDUSSCGKSA-N 1 0 389.225 1.095 20 0 GDADRO C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2N2CCOCC2)C[C@H]1[NH3+] ZINC000417916964 531790110 /nfs/dbraw/zinc/79/01/10/531790110.db2.gz VSVJYCNRCZAGMF-IUODEOHRSA-N 1 0 397.317 1.774 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000562949742 531790258 /nfs/dbraw/zinc/79/02/58/531790258.db2.gz VNOUNKNMCJQKFM-GFCCVEGCSA-N 1 0 375.441 1.186 20 0 GDADRO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CCC[NH3+] ZINC000592471472 531790416 /nfs/dbraw/zinc/79/04/16/531790416.db2.gz HSTSHQAUBZYTCZ-ZDUSSCGKSA-N 1 0 377.507 1.033 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)Nc1ccc(I)cc1 ZINC000592486760 531791425 /nfs/dbraw/zinc/79/14/25/531791425.db2.gz KVCQEWVVFIVSQP-GWCFXTLKSA-N 1 0 391.228 1.862 20 0 GDADRO C[C@@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC[NH2+]1 ZINC000417925206 531792506 /nfs/dbraw/zinc/79/25/06/531792506.db2.gz JIASEIZDTITVHW-NXEZZACHSA-N 1 0 380.923 1.120 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000417941406 531793402 /nfs/dbraw/zinc/79/34/02/531793402.db2.gz ZOQUAYLGJMOELE-SNVBAGLBSA-N 1 0 382.939 1.352 20 0 GDADRO CC(C)CS(=O)(=O)N1CCC(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000418007690 531794952 /nfs/dbraw/zinc/79/49/52/531794952.db2.gz QMRFRWIHJQEJTK-MRXNPFEDSA-N 1 0 376.567 1.451 20 0 GDADRO Cc1cc(N2CC[C@@H](NC(=O)N3CC[C@@H](C[NH3+])C3)C2=O)ccc1Br ZINC000418004786 531795034 /nfs/dbraw/zinc/79/50/34/531795034.db2.gz CNUULLLKIKSARW-SWLSCSKDSA-N 1 0 395.301 1.853 20 0 GDADRO O=C(c1nc(C2CC2)ncc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000623063821 531797803 /nfs/dbraw/zinc/79/78/03/531797803.db2.gz MFDSYKDDUVXNHK-LBPRGKRZSA-N 1 0 380.290 1.236 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)C[C@]2(C)CC2(F)F)CC1 ZINC000641310575 531802648 /nfs/dbraw/zinc/80/26/48/531802648.db2.gz PRBZVOQGKCLTIT-OAGGEKHMSA-N 1 0 379.517 1.852 20 0 GDADRO COC(=O)CNC(=O)[C@H]1CCCN1Cc1ccc(OC)c(Br)c1 ZINC000418132303 531803038 /nfs/dbraw/zinc/80/30/38/531803038.db2.gz YVTNBIBXQYNSHS-CYBMUJFWSA-N 1 0 385.258 1.711 20 0 GDADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1c(Cl)nc2ccccn21 ZINC000282852122 531803258 /nfs/dbraw/zinc/80/32/58/531803258.db2.gz XIXDISJQIKBLDB-SNVBAGLBSA-N 1 0 375.782 1.554 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000514790639 531804495 /nfs/dbraw/zinc/80/44/95/531804495.db2.gz JTUKZIRCZKQAGO-GHMZBOCLSA-N 1 0 381.420 1.344 20 0 GDADRO O=C(NCCOc1ccc(I)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418149603 531805443 /nfs/dbraw/zinc/80/54/43/531805443.db2.gz BMBXTHDZWKGJFF-ITGUQSILSA-N 1 0 387.221 1.187 20 0 GDADRO Cc1cc(CNC(=O)NC[C@H]2C[NH2+]CCO2)ccc1I ZINC000418142374 531805482 /nfs/dbraw/zinc/80/54/82/531805482.db2.gz NDIAOKGXVBODNY-GFCCVEGCSA-N 1 0 389.237 1.387 20 0 GDADRO CC[NH2+][C@H](C)CNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000418146474 531805515 /nfs/dbraw/zinc/80/55/15/531805515.db2.gz KUDWGWBXQAPTEL-GFCCVEGCSA-N 1 0 376.910 1.306 20 0 GDADRO CN(C(=O)NCCCNS(=O)(=O)c1ccccc1Cl)C1CC[NH2+]CC1 ZINC000418138053 531805535 /nfs/dbraw/zinc/80/55/35/531805535.db2.gz FAXZDWBRQHUIMH-UHFFFAOYSA-N 1 0 388.921 1.402 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000418152873 531807716 /nfs/dbraw/zinc/80/77/16/531807716.db2.gz VQGRMVQAIRQQOK-QWHCGFSZSA-N 1 0 388.921 1.578 20 0 GDADRO Cn1cc(I)c(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000418269077 531818890 /nfs/dbraw/zinc/81/88/90/531818890.db2.gz XRVNPCYRCPHGTG-BDAKNGLRSA-N 1 0 377.230 1.094 20 0 GDADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000453603824 531818869 /nfs/dbraw/zinc/81/88/69/531818869.db2.gz AZEQUUCEHDQYRZ-LLVKDONJSA-N 1 0 383.290 1.939 20 0 GDADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000514957859 531808138 /nfs/dbraw/zinc/80/81/38/531808138.db2.gz VEVDCQYTTKIIET-SJKOYZFVSA-N 1 0 383.286 1.789 20 0 GDADRO CC(C)(C[NH3+])NC(=O)NCC(=O)Nc1ccc(I)cc1 ZINC000418160663 531808850 /nfs/dbraw/zinc/80/88/50/531808850.db2.gz FETKCDGBMPGASZ-UHFFFAOYSA-N 1 0 390.225 1.266 20 0 GDADRO CS(=O)(=O)c1ccc(-c2nc(CSc3nc(N)cc(N)[nH+]3)co2)cc1 ZINC000367128610 531809242 /nfs/dbraw/zinc/80/92/42/531809242.db2.gz DHMCGCROMAORNP-UHFFFAOYSA-N 1 0 377.451 1.992 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000563134806 531810039 /nfs/dbraw/zinc/81/00/39/531810039.db2.gz FHMRRMGTSNUELX-BXKDBHETSA-N 1 0 375.878 1.583 20 0 GDADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)C[C@@H]21 ZINC000453040080 531810524 /nfs/dbraw/zinc/81/05/24/531810524.db2.gz SPNXACSUIKUOEE-WWGRRREGSA-N 1 0 392.297 1.965 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000515844128 531812072 /nfs/dbraw/zinc/81/20/72/531812072.db2.gz PLGHEBPKQKEICZ-MWLCHTKSSA-N 1 0 375.878 1.665 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418174970 531812453 /nfs/dbraw/zinc/81/24/53/531812453.db2.gz AIDVOHSIOWQRNA-RISCZKNCSA-N 1 0 388.921 1.224 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000418168371 531813195 /nfs/dbraw/zinc/81/31/95/531813195.db2.gz LTOSNWHKVOZWLQ-DGCLKSJQSA-N 1 0 378.445 1.025 20 0 GDADRO Cn1cc(C[C@@H](CO)[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cn1 ZINC000563138186 531813209 /nfs/dbraw/zinc/81/32/09/531813209.db2.gz OCFDPYBZNBGGIX-LSDHHAIUSA-N 1 0 384.274 1.116 20 0 GDADRO C[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)Oc1ccc(Br)cc1 ZINC000669506356 531813434 /nfs/dbraw/zinc/81/34/34/531813434.db2.gz VZJBNNAEAVWVFV-XUJVJEKNSA-N 1 0 386.290 1.974 20 0 GDADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)F)s1 ZINC000418181978 531814002 /nfs/dbraw/zinc/81/40/02/531814002.db2.gz JOTHUHMTYIGPNF-VGMNWLOBSA-N 1 0 378.449 1.345 20 0 GDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000418181363 531814662 /nfs/dbraw/zinc/81/46/62/531814662.db2.gz IPAADYGMZUAWJB-QWHCGFSZSA-N 1 0 388.921 1.305 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623529133 531815830 /nfs/dbraw/zinc/81/58/30/531815830.db2.gz WQUCZIMMAGQAJQ-UHFFFAOYSA-N 1 0 393.332 1.882 20 0 GDADRO O=C(NCCN1CC[NH2+]CC1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000418310473 531822059 /nfs/dbraw/zinc/82/20/59/531822059.db2.gz YIOHRZLDZSSTJO-OAHLLOKOSA-N 1 0 381.318 1.853 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000418379538 531823383 /nfs/dbraw/zinc/82/33/83/531823383.db2.gz DFEHVQWKQAGFBD-UONOGXRCSA-N 1 0 383.290 1.615 20 0 GDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000453693644 531823773 /nfs/dbraw/zinc/82/37/73/531823773.db2.gz SBLBWVWLUVRNCI-CQSZACIVSA-N 1 0 390.665 1.224 20 0 GDADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000367264452 531824663 /nfs/dbraw/zinc/82/46/63/531824663.db2.gz MTQZCKPDNANKEQ-NWDGAFQWSA-N 1 0 391.946 1.765 20 0 GDADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418410377 531824919 /nfs/dbraw/zinc/82/49/19/531824919.db2.gz WACDVVAIEQKTOD-WBMJQRKESA-N 1 0 384.318 1.945 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000297879023 531829928 /nfs/dbraw/zinc/82/99/28/531829928.db2.gz OHIHTSSZXNAFAZ-OAHLLOKOSA-N 1 0 392.297 1.880 20 0 GDADRO CC(C)([NH3+])CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000418412023 531825175 /nfs/dbraw/zinc/82/51/75/531825175.db2.gz GSQOSZNMJVSDSQ-SNVBAGLBSA-N 1 0 376.270 1.776 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br ZINC000418395405 531825201 /nfs/dbraw/zinc/82/52/01/531825201.db2.gz SODYZBHFHPIPNV-IAQYHMDHSA-N 1 0 388.306 1.988 20 0 GDADRO [NH3+][C@@H](CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000418494644 531827586 /nfs/dbraw/zinc/82/75/86/531827586.db2.gz YQDMCVZAJJEWCY-BMIGLBTASA-N 1 0 388.281 1.776 20 0 GDADRO Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000623914281 531827793 /nfs/dbraw/zinc/82/77/93/531827793.db2.gz SPDIDTXJZPYOJY-HNNXBMFYSA-N 1 0 385.486 1.876 20 0 GDADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418501978 531828054 /nfs/dbraw/zinc/82/80/54/531828054.db2.gz SSQPNKBIBPPWOZ-OAHLLOKOSA-N 1 0 393.289 1.909 20 0 GDADRO [NH3+][C@H](CNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000418494646 531828375 /nfs/dbraw/zinc/82/83/75/531828375.db2.gz YQDMCVZAJJEWCY-MEBBXXQBSA-N 1 0 388.281 1.776 20 0 GDADRO C[C@H](C[NH3+])NC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000418514379 531828447 /nfs/dbraw/zinc/82/84/47/531828447.db2.gz OAMIGSPMYDQNCO-SNVBAGLBSA-N 1 0 384.278 1.551 20 0 GDADRO [NH3+]C1(CNC(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)CCC1 ZINC000418517828 531828467 /nfs/dbraw/zinc/82/84/67/531828467.db2.gz KDIQCPYNLZMRIL-LLVKDONJSA-N 1 0 388.281 1.920 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000418493633 531828540 /nfs/dbraw/zinc/82/85/40/531828540.db2.gz RECOFXDARWSWKV-CMPLNLGQSA-N 1 0 376.270 1.633 20 0 GDADRO [NH3+][C@@H](CNC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000418494124 531828671 /nfs/dbraw/zinc/82/86/71/531828671.db2.gz XLOCXPHQLYHTFQ-ABAIWWIYSA-N 1 0 388.281 1.776 20 0 GDADRO Fc1cc(Br)cnc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623650780 531819185 /nfs/dbraw/zinc/81/91/85/531819185.db2.gz UZYHGMVBSKCONK-NSHDSACASA-N 1 0 392.236 1.789 20 0 GDADRO C[NH+](C)CCOc1cc(CNS(=O)(=O)C[C@H]2C(C)(C)C2(F)F)ccn1 ZINC000641400848 531819215 /nfs/dbraw/zinc/81/92/15/531819215.db2.gz DSGVFDQLNYCFQW-ZDUSSCGKSA-N 1 0 377.457 1.733 20 0 GDADRO O=C(NCCC[NH2+]C1CC1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000418294112 531820255 /nfs/dbraw/zinc/82/02/55/531820255.db2.gz BZQRUHRQFUJXNU-HNNXBMFYSA-N 1 0 395.301 1.774 20 0 GDADRO C[NH2+]CCCNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000418277647 531820513 /nfs/dbraw/zinc/82/05/13/531820513.db2.gz IVWHNBPWTBUMKK-UHFFFAOYSA-N 1 0 394.950 1.417 20 0 GDADRO C[NH2+]CCNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000418324760 531821220 /nfs/dbraw/zinc/82/12/20/531821220.db2.gz IAGBBTUDCKAFLH-UHFFFAOYSA-N 1 0 380.923 1.027 20 0 GDADRO COC[C@]1(CNC(=O)NCCNc2cccc(Br)c2)CCC[NH2+]1 ZINC000418659605 531833085 /nfs/dbraw/zinc/83/30/85/531833085.db2.gz WACGUYKRIQOQCZ-MRXNPFEDSA-N 1 0 385.306 1.929 20 0 GDADRO C[NH+](C)[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)c1cccs1 ZINC000670450395 531833924 /nfs/dbraw/zinc/83/39/24/531833924.db2.gz SKBFMHNUQXFJOL-ZDUSSCGKSA-N 1 0 382.511 1.028 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000418688908 531834682 /nfs/dbraw/zinc/83/46/82/531834682.db2.gz BIKYJVOGBWBLSI-GHMZBOCLSA-N 1 0 398.305 1.940 20 0 GDADRO COCC[N@H+](C)CCNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494623 531834899 /nfs/dbraw/zinc/83/48/99/531834899.db2.gz HFRLLGZCXWLJFW-UHFFFAOYSA-N 1 0 376.284 1.347 20 0 GDADRO CC[C@@H]([NH3+])CNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000418733242 531836432 /nfs/dbraw/zinc/83/64/32/531836432.db2.gz RDXIPYGCAUOUBY-SMDDNHRTSA-N 1 0 388.306 1.645 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000418780531 531838910 /nfs/dbraw/zinc/83/89/10/531838910.db2.gz KWGNKTODTYPZRF-QWRGUYRKSA-N 1 0 384.274 1.270 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2C)C[C@H]1C[NH3+] ZINC000624373913 531839195 /nfs/dbraw/zinc/83/91/95/531839195.db2.gz BFSNVHHWDYBXFB-ZWNOBZJWSA-N 1 0 395.294 1.881 20 0 GDADRO COc1ccc(Br)c(CNC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000418780530 531839170 /nfs/dbraw/zinc/83/91/70/531839170.db2.gz KWGNKTODTYPZRF-MNOVXSKESA-N 1 0 384.274 1.270 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418775169 531839274 /nfs/dbraw/zinc/83/92/74/531839274.db2.gz WENJUCXQCPAEHO-HNNXBMFYSA-N 1 0 386.290 1.848 20 0 GDADRO COc1c(Br)c(C)sc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670406882 531830967 /nfs/dbraw/zinc/83/09/67/531830967.db2.gz GBKOAJUDHXXMSG-LLVKDONJSA-N 1 0 388.331 1.947 20 0 GDADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@H](O)COc2ccccc2Br)C1 ZINC000418578180 531831688 /nfs/dbraw/zinc/83/16/88/531831688.db2.gz ZXMVSIGWNREJEA-AGIUHOORSA-N 1 0 386.290 1.758 20 0 GDADRO CN(C)c1cc(Br)cc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1 ZINC000563398505 531832414 /nfs/dbraw/zinc/83/24/14/531832414.db2.gz RQBRBKXILFFQJV-KRWDZBQOSA-N 1 0 382.302 1.702 20 0 GDADRO C[C@]1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CCC[NH2+]C1 ZINC000418833817 531849444 /nfs/dbraw/zinc/84/94/44/531849444.db2.gz NUZTUFYWXQAMRR-DAYGRLMNSA-N 1 0 394.313 1.927 20 0 GDADRO COC(=O)c1cc(Br)cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)c1 ZINC000563534288 531849876 /nfs/dbraw/zinc/84/98/76/531849876.db2.gz FXXIALBLYHZZQT-UHFFFAOYSA-N 1 0 391.287 1.738 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418836664 531850651 /nfs/dbraw/zinc/85/06/51/531850651.db2.gz VFGJXXQLLBYGNK-YUSALJHKSA-N 1 0 386.265 1.756 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418841662 531852292 /nfs/dbraw/zinc/85/22/92/531852292.db2.gz HAFAPWUCTQKERY-IUODEOHRSA-N 1 0 382.302 1.755 20 0 GDADRO Brc1cnc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)s1 ZINC000641787891 531852359 /nfs/dbraw/zinc/85/23/59/531852359.db2.gz FXCAJIUBXXBUNS-CYBMUJFWSA-N 1 0 389.363 1.792 20 0 GDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418847837 531852568 /nfs/dbraw/zinc/85/25/68/531852568.db2.gz WMDBNHAJIOLKQO-YRGRVCCFSA-N 1 0 382.302 1.692 20 0 GDADRO COC[C@H](C)OC[C@H](O)C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000298107602 531852614 /nfs/dbraw/zinc/85/26/14/531852614.db2.gz JHAFINDOBJTUBE-APHBMKBZSA-N 1 0 376.291 1.827 20 0 GDADRO CC1(C)[C@H]([NH3+])C[C@H]1NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000641804604 531852729 /nfs/dbraw/zinc/85/27/29/531852729.db2.gz ZIWJSNIOYQNFGW-ZIAGYGMSSA-N 1 0 386.327 1.752 20 0 GDADRO C[C@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)NCCc1cccs1 ZINC000298111727 531852696 /nfs/dbraw/zinc/85/26/96/531852696.db2.gz ZJVSBNNTVAFONL-STQMWFEESA-N 1 0 381.523 1.794 20 0 GDADRO CN1CCc2ccc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)cc21 ZINC000624390572 531840725 /nfs/dbraw/zinc/84/07/25/531840725.db2.gz DNRQUUBIMOTLIO-OCCSQVGLSA-N 1 0 377.432 1.827 20 0 GDADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000624405380 531842201 /nfs/dbraw/zinc/84/22/01/531842201.db2.gz IXWNDUNKHGWCBR-KOLCDFICSA-N 1 0 390.303 1.826 20 0 GDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1F ZINC000624405146 531842334 /nfs/dbraw/zinc/84/23/34/531842334.db2.gz DCWWMTPETSGRRU-NWDGAFQWSA-N 1 0 393.506 1.395 20 0 GDADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000624405176 531842354 /nfs/dbraw/zinc/84/23/54/531842354.db2.gz DZBURFYJLINHHM-ZFWWWQNUSA-N 1 0 389.543 1.647 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418802016 531842921 /nfs/dbraw/zinc/84/29/21/531842921.db2.gz CTZAHTGCHXCCMV-IRCOFANPSA-N 1 0 398.326 1.551 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C[C@H](C)[NH2+]1 ZINC000418813905 531844998 /nfs/dbraw/zinc/84/49/98/531844998.db2.gz UNFUIZFZDQOXPF-NPZRNVLXSA-N 1 0 398.276 1.769 20 0 GDADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000641623311 531845547 /nfs/dbraw/zinc/84/55/47/531845547.db2.gz GKUOSBNSTNMZMK-LSDHHAIUSA-N 1 0 382.592 1.582 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000418819413 531846184 /nfs/dbraw/zinc/84/61/84/531846184.db2.gz DBIOVJNQLBHLAZ-REJLFOLJSA-N 1 0 380.286 1.617 20 0 GDADRO CC[N@@H+]1CCCN(C(=O)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC000298052571 531846888 /nfs/dbraw/zinc/84/68/88/531846888.db2.gz JZSKQBYNWISUIC-UHFFFAOYSA-N 1 0 378.420 1.675 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000283467659 531866067 /nfs/dbraw/zinc/86/60/67/531866067.db2.gz GHZAUCGEQSDUGG-UHFFFAOYSA-N 1 0 381.832 1.013 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000298219304 531866132 /nfs/dbraw/zinc/86/61/32/531866132.db2.gz VMEAHFUMYCWOPH-ZDUSSCGKSA-N 1 0 376.548 1.149 20 0 GDADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1I ZINC000595119085 531866674 /nfs/dbraw/zinc/86/66/74/531866674.db2.gz LNUZWTIRQRKDOU-ZETCQYMHSA-N 1 0 388.658 1.831 20 0 GDADRO C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[C@H](C)S1(=O)=O ZINC000643005987 531867285 /nfs/dbraw/zinc/86/72/85/531867285.db2.gz ROWOTTRPESRQHG-GASCZTMLSA-N 1 0 382.551 1.883 20 0 GDADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCSCC[C@H]1C ZINC000671627838 531857605 /nfs/dbraw/zinc/85/76/05/531857605.db2.gz XKLSDJQPOJAVOE-OLZOCXBDSA-N 1 0 383.539 1.439 20 0 GDADRO Cc1nc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(Br)n1C ZINC000367742441 531858876 /nfs/dbraw/zinc/85/88/76/531858876.db2.gz UYAFEUFYDDPFAA-LBPRGKRZSA-N 1 0 391.335 1.740 20 0 GDADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418881167 531859708 /nfs/dbraw/zinc/85/97/08/531859708.db2.gz GVNIRDIIGRSHFC-RYUDHWBXSA-N 1 0 388.237 1.237 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418883378 531859809 /nfs/dbraw/zinc/85/98/09/531859809.db2.gz LGGCLUXCJAVYPL-GFCCVEGCSA-N 1 0 388.237 1.206 20 0 GDADRO Cc1nc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)sc1Br ZINC000454856206 531860284 /nfs/dbraw/zinc/86/02/84/531860284.db2.gz DXKQXIPMVZXGQF-UHFFFAOYSA-N 1 0 387.307 2.294 20 0 GDADRO CC[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 ZINC000298185151 531861075 /nfs/dbraw/zinc/86/10/75/531861075.db2.gz IPBKZWOFOGYCED-UHFFFAOYSA-N 1 0 390.303 1.311 20 0 GDADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H](C)O1 ZINC000563704619 531861925 /nfs/dbraw/zinc/86/19/25/531861925.db2.gz ADIDKDUREPFBIV-AHIWAGSCSA-N 1 0 399.329 1.944 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC000642740708 531862968 /nfs/dbraw/zinc/86/29/68/531862968.db2.gz CVKBNNHUDRPVFL-TZMCWYRMSA-N 1 0 396.285 1.284 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1Br ZINC000642740707 531862983 /nfs/dbraw/zinc/86/29/83/531862983.db2.gz CVKBNNHUDRPVFL-OCCSQVGLSA-N 1 0 396.285 1.284 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418916976 531863296 /nfs/dbraw/zinc/86/32/96/531863296.db2.gz AGQZTFBQHGRHQC-WDEREUQCSA-N 1 0 386.265 1.456 20 0 GDADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)[C@@H]2C1 ZINC000564871264 531869239 /nfs/dbraw/zinc/86/92/39/531869239.db2.gz KXAWKJDHZFRBDO-UONOGXRCSA-N 1 0 383.539 1.699 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642724541 531863490 /nfs/dbraw/zinc/86/34/90/531863490.db2.gz VHDZPVROMFCPEA-CYBMUJFWSA-N 1 0 384.274 1.332 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000418948956 531870388 /nfs/dbraw/zinc/87/03/88/531870388.db2.gz UJMCGMYSACJNOP-QMTHXVAHSA-N 1 0 388.295 1.881 20 0 GDADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000564960123 531870902 /nfs/dbraw/zinc/87/09/02/531870902.db2.gz CCLOLXTVMYNNSJ-RKDXNWHRSA-N 1 0 391.280 1.553 20 0 GDADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCOc3cccc(Br)c3)C[C@H]12 ZINC000418949344 531871079 /nfs/dbraw/zinc/87/10/79/531871079.db2.gz OCHPRFVXDJKIJC-BYCMXARLSA-N 1 0 396.285 1.140 20 0 GDADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(I)cc1F ZINC000595243176 531871764 /nfs/dbraw/zinc/87/17/64/531871764.db2.gz DLNXXDLHPBWREW-ZETCQYMHSA-N 1 0 379.173 1.093 20 0 GDADRO O=C(NC[C@@H]1CSCCS1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283534148 531873056 /nfs/dbraw/zinc/87/30/56/531873056.db2.gz RJMSVLUKEVBRDD-JKSUJKDBSA-N 1 0 379.551 1.342 20 0 GDADRO Cc1cc(I)ccc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595253534 531873660 /nfs/dbraw/zinc/87/36/60/531873660.db2.gz XZRGJJMCCLIJKV-UHFFFAOYSA-N 1 0 399.232 1.488 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(C)c(F)c2F)CC1 ZINC000625016602 531873961 /nfs/dbraw/zinc/87/39/61/531873961.db2.gz CHYBPRWOYNMUOH-CYBMUJFWSA-N 1 0 375.485 1.825 20 0 GDADRO CS[C@H]1CN(C(=O)CCC(=O)N2CCc3sccc3C2)C[C@@H]1[NH+](C)C ZINC000270465148 531875238 /nfs/dbraw/zinc/87/52/38/531875238.db2.gz LAWXBCUIEUOUQE-HOCLYGCPSA-N 1 0 381.567 1.917 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419034595 531884417 /nfs/dbraw/zinc/88/44/17/531884417.db2.gz DOFLOLWTRJOGST-MRVPVSSYSA-N 1 0 382.675 1.853 20 0 GDADRO CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000625042615 531877583 /nfs/dbraw/zinc/87/75/83/531877583.db2.gz CKSBYYMNZCXOQX-IRXDYDNUSA-N 1 0 390.546 1.740 20 0 GDADRO COc1ccc([C@@H](C)NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)cc1Br ZINC000419001333 531877689 /nfs/dbraw/zinc/87/76/89/531877689.db2.gz APKYKCTUNDDKFI-VXGBXAGGSA-N 1 0 398.301 1.751 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)C[C@H](C)O1 ZINC000298326492 531877843 /nfs/dbraw/zinc/87/78/43/531877843.db2.gz NNZGCDPAYAOSTC-RYUDHWBXSA-N 1 0 389.905 1.217 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1ccc(I)cn1 ZINC000455749931 531878162 /nfs/dbraw/zinc/87/81/62/531878162.db2.gz FPJHNZZFMGCARJ-UHFFFAOYSA-N 1 0 377.226 1.384 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2CC[NH2+]C2)cc1Br ZINC000419005539 531878212 /nfs/dbraw/zinc/87/82/12/531878212.db2.gz GOSXVFSOAGUGKQ-WDEREUQCSA-N 1 0 384.274 1.361 20 0 GDADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000566081989 531878798 /nfs/dbraw/zinc/87/87/98/531878798.db2.gz OAJUJOWHGDMNIQ-CQSZACIVSA-N 1 0 385.555 1.628 20 0 GDADRO COc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1Br ZINC000419006597 531879217 /nfs/dbraw/zinc/87/92/17/531879217.db2.gz HTIQYSLLLDOGBQ-JQWIXIFHSA-N 1 0 384.274 1.503 20 0 GDADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000566100215 531880991 /nfs/dbraw/zinc/88/09/91/531880991.db2.gz HDFNERXJRADWND-UWVGGRQHSA-N 1 0 389.315 1.983 20 0 GDADRO O=C(CCOC1C[NH2+]C1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000566097672 531881058 /nfs/dbraw/zinc/88/10/58/531881058.db2.gz KRSKMGRXTCBIPN-UHFFFAOYSA-N 1 0 377.754 1.396 20 0 GDADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(I)c(F)c1 ZINC000566101769 531881152 /nfs/dbraw/zinc/88/11/52/531881152.db2.gz MZJCVXPYKMJFQR-SNVBAGLBSA-N 1 0 377.201 1.064 20 0 GDADRO CN(C(=O)C(=O)N[C@@H]1CCOc2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000419020978 531881967 /nfs/dbraw/zinc/88/19/67/531881967.db2.gz LHKKKWGNVGCRGH-CQSZACIVSA-N 1 0 396.285 1.599 20 0 GDADRO CS(=O)(=O)C1CCC([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000367975734 531882832 /nfs/dbraw/zinc/88/28/32/531882832.db2.gz BYNJPJAUUWVCFR-KVULBXGLSA-N 1 0 386.539 1.657 20 0 GDADRO C[NH2+]CC1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000566238390 531882871 /nfs/dbraw/zinc/88/28/71/531882871.db2.gz OIESQKLTDZXDTQ-UHFFFAOYSA-N 1 0 389.315 1.681 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000419024454 531883355 /nfs/dbraw/zinc/88/33/55/531883355.db2.gz QHEDGQIAPCPEKV-IUODEOHRSA-N 1 0 384.318 1.986 20 0 GDADRO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1[NH+](C)C ZINC000270513916 531883616 /nfs/dbraw/zinc/88/36/16/531883616.db2.gz RIOSHMAPVRXESW-HZPDHXFCSA-N 1 0 383.539 1.245 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000564874110 531869479 /nfs/dbraw/zinc/86/94/79/531869479.db2.gz YRXPVPMGEXDLQX-CYBMUJFWSA-N 1 0 397.324 1.604 20 0 GDADRO C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)C1SCCS1 ZINC000298249033 531869916 /nfs/dbraw/zinc/86/99/16/531869916.db2.gz DGJSHXYICXIECW-OAHLLOKOSA-N 1 0 379.551 1.424 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000419046901 531891214 /nfs/dbraw/zinc/89/12/14/531891214.db2.gz WTWNGORZYPPVCA-UWVGGRQHSA-N 1 0 378.420 1.797 20 0 GDADRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(I)cn1 ZINC000456034283 531892603 /nfs/dbraw/zinc/89/26/03/531892603.db2.gz DCJGSDYXUOBEPW-UHFFFAOYSA-N 1 0 390.269 1.300 20 0 GDADRO CC[C@H]1CN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[C@H]1[NH3+] ZINC000647007365 531892654 /nfs/dbraw/zinc/89/26/54/531892654.db2.gz AHFBRSQHBRASAR-JOYOIKCWSA-N 1 0 382.258 1.979 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419052373 531892750 /nfs/dbraw/zinc/89/27/50/531892750.db2.gz HQXDGRXMEJUACZ-OCCSQVGLSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@@H](O)CN1CCN(C(=O)c2ccc(I)cn2)[C@H](C)C1 ZINC000456029370 531892774 /nfs/dbraw/zinc/89/27/74/531892774.db2.gz UKVOLQXLVHTOOP-GHMZBOCLSA-N 1 0 389.237 1.213 20 0 GDADRO CC[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000647004405 531892752 /nfs/dbraw/zinc/89/27/52/531892752.db2.gz KQLIOADNIGGCKX-XHDPSFHLSA-N 1 0 375.441 1.219 20 0 GDADRO O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647872650 531899576 /nfs/dbraw/zinc/89/95/76/531899576.db2.gz NOEMRESJQYKCED-LBPRGKRZSA-N 1 0 378.325 1.909 20 0 GDADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419053941 531894116 /nfs/dbraw/zinc/89/41/16/531894116.db2.gz KCLRZACZRMPZBB-KBPBESRZSA-N 1 0 398.301 1.073 20 0 GDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419055561 531894266 /nfs/dbraw/zinc/89/42/66/531894266.db2.gz OMCZZJLVGVFBQM-JMSVASOKSA-N 1 0 382.302 1.611 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CS(=O)(=O)C[C@@H]3C)CC2)cc1 ZINC000368131067 531894611 /nfs/dbraw/zinc/89/46/11/531894611.db2.gz IZSFSBJDLCACMQ-WMLDXEAASA-N 1 0 386.539 1.171 20 0 GDADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CC[C@@H]1[NH3+] ZINC000647269951 531894791 /nfs/dbraw/zinc/89/47/91/531894791.db2.gz GUUJCKJJYHOQIA-MFKMUULPSA-N 1 0 389.905 1.456 20 0 GDADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CC[C@@H]1[NH3+] ZINC000647269949 531894822 /nfs/dbraw/zinc/89/48/22/531894822.db2.gz GUUJCKJJYHOQIA-GWCFXTLKSA-N 1 0 389.905 1.456 20 0 GDADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000419058978 531896171 /nfs/dbraw/zinc/89/61/71/531896171.db2.gz XDTHVFFCBHSDEN-ONGXEEELSA-N 1 0 388.693 1.962 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419075646 531897173 /nfs/dbraw/zinc/89/71/73/531897173.db2.gz VAEMHYGHECIXKQ-VIFPVBQESA-N 1 0 376.682 1.690 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000419076256 531898206 /nfs/dbraw/zinc/89/82/06/531898206.db2.gz HAWUJGYDOSZVHB-GFCCVEGCSA-N 1 0 380.286 1.404 20 0 GDADRO C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000567609543 531899128 /nfs/dbraw/zinc/89/91/28/531899128.db2.gz PBXWYJSYCTXIKJ-IUODEOHRSA-N 1 0 398.301 1.591 20 0 GDADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647861460 531899092 /nfs/dbraw/zinc/89/90/92/531899092.db2.gz AZUGXTHXVFRUJQ-ZENOOKHLSA-N 1 0 384.318 1.844 20 0 GDADRO O=C(NCC1(c2cccc(Br)c2)CC1)C(=O)NC1CC[NH2+]CC1 ZINC000419083001 531899412 /nfs/dbraw/zinc/89/94/12/531899412.db2.gz VOPYADBNIBHKOM-UHFFFAOYSA-N 1 0 380.286 1.465 20 0 GDADRO CNC(=O)CN1CCC([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000566324832 531885509 /nfs/dbraw/zinc/88/55/09/531885509.db2.gz YXEFISRPNNCODD-UHFFFAOYSA-N 1 0 398.301 1.536 20 0 GDADRO CC(C)(CO)[NH+]1CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000673896022 531885529 /nfs/dbraw/zinc/88/55/29/531885529.db2.gz OCDCAOZRJADPGR-UHFFFAOYSA-N 1 0 395.305 1.313 20 0 GDADRO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368054158 531887881 /nfs/dbraw/zinc/88/78/81/531887881.db2.gz KBGSLOUOACYVKT-WDEREUQCSA-N 1 0 392.253 1.113 20 0 GDADRO O=S1(=O)CCCN1CC[NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017428 531888116 /nfs/dbraw/zinc/88/81/16/531888116.db2.gz RLQUYBBAXIFAGT-CQSZACIVSA-N 1 0 382.404 1.634 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)Nc2ccnc(OCC(F)(F)F)n2)CCSC1 ZINC000455997376 531889409 /nfs/dbraw/zinc/88/94/09/531889409.db2.gz ZYDXYZAWBRUYSH-ZDUSSCGKSA-N 1 0 379.408 1.977 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419044718 531889377 /nfs/dbraw/zinc/88/93/77/531889377.db2.gz UQBSCUZAUASZHI-TXEJJXNPSA-N 1 0 384.249 1.557 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)C[C@@H]1C[NH3+] ZINC000419045265 531889418 /nfs/dbraw/zinc/88/94/18/531889418.db2.gz VURRWZLIJYTERC-JQWIXIFHSA-N 1 0 386.265 1.648 20 0 GDADRO [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3c(F)cc(Br)cc3F)CCN2C1=O ZINC000566505576 531889665 /nfs/dbraw/zinc/88/96/65/531889665.db2.gz YANULZFXDPCGHL-KWQFWETISA-N 1 0 389.200 1.503 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)C[C@H]1C[NH3+] ZINC000419045264 531890215 /nfs/dbraw/zinc/89/02/15/531890215.db2.gz VURRWZLIJYTERC-CMPLNLGQSA-N 1 0 386.265 1.648 20 0 GDADRO C[NH+](C)CCOc1cc(CNC(=O)Cn2cc(Br)cn2)ccn1 ZINC000270651088 531905359 /nfs/dbraw/zinc/90/53/59/531905359.db2.gz OSEHZKRNLKRXDZ-UHFFFAOYSA-N 1 0 382.262 1.297 20 0 GDADRO COc1cc(Br)ccc1CCCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419152357 531906297 /nfs/dbraw/zinc/90/62/97/531906297.db2.gz NKQAVDHBINZGPG-UHFFFAOYSA-N 1 0 386.290 1.360 20 0 GDADRO Cc1cccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1Br ZINC000419163402 531907011 /nfs/dbraw/zinc/90/70/11/531907011.db2.gz JUELUPMIUJKEJZ-QGZVFWFLSA-N 1 0 380.286 1.586 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000419163873 531907084 /nfs/dbraw/zinc/90/70/84/531907084.db2.gz KZXRGSGGIRCYOI-GFCCVEGCSA-N 1 0 388.295 1.694 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CCC1 ZINC000419185821 531910228 /nfs/dbraw/zinc/91/02/28/531910228.db2.gz LOBOSTZFURVAEL-ZDUSSCGKSA-N 1 0 395.301 1.142 20 0 GDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cc(Br)cs1 ZINC000283933073 531910678 /nfs/dbraw/zinc/91/06/78/531910678.db2.gz NHQBBGHYERGBCQ-RNCFNFMXSA-N 1 0 386.315 1.726 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCc1ccccc1Br ZINC000419199899 531911249 /nfs/dbraw/zinc/91/12/49/531911249.db2.gz DCWXBFCGLORDNW-SWLSCSKDSA-N 1 0 382.302 1.836 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NCc1ccccc1Br)C[NH+]1CCCC1 ZINC000283947757 531912060 /nfs/dbraw/zinc/91/20/60/531912060.db2.gz RDYUPGLRMKERMA-ZDUSSCGKSA-N 1 0 382.302 1.913 20 0 GDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000675819016 531912251 /nfs/dbraw/zinc/91/22/51/531912251.db2.gz JPGVXGXXQZVNTF-ZDUSSCGKSA-N 1 0 379.448 1.933 20 0 GDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccccc1OC(F)F ZINC000675818505 531912415 /nfs/dbraw/zinc/91/24/15/531912415.db2.gz AUXJWIBNUMLXSM-CYBMUJFWSA-N 1 0 377.457 1.516 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419206888 531912852 /nfs/dbraw/zinc/91/28/52/531912852.db2.gz NPJLLNVCYMBJHD-NWDGAFQWSA-N 1 0 398.301 1.660 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419202156 531912891 /nfs/dbraw/zinc/91/28/91/531912891.db2.gz GGQNMLBIZNCWOM-SMDDNHRTSA-N 1 0 398.301 1.802 20 0 GDADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000419121151 531900898 /nfs/dbraw/zinc/90/08/98/531900898.db2.gz AICGQXYMHVOEJI-YGRLFVJLSA-N 1 0 388.295 1.881 20 0 GDADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccc(Br)s1 ZINC000419104653 531901334 /nfs/dbraw/zinc/90/13/34/531901334.db2.gz AOFPGPYLYZJZSN-LLVKDONJSA-N 1 0 388.331 1.770 20 0 GDADRO COCC[NH2+]CCNC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419128854 531902213 /nfs/dbraw/zinc/90/22/13/531902213.db2.gz CDFBLYQQHFIGCM-UHFFFAOYSA-N 1 0 392.681 1.071 20 0 GDADRO C[NH2+]C1CCN(C(=O)C(=O)NCc2ccc(Br)cc2Cl)CC1 ZINC000419128769 531902371 /nfs/dbraw/zinc/90/23/71/531902371.db2.gz BUKFRUJHAAUOSZ-UHFFFAOYSA-N 1 0 388.693 1.929 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(I)c1)[NH+](C)C ZINC000298599235 531902474 /nfs/dbraw/zinc/90/24/74/531902474.db2.gz LIVNHZWLMBIZCK-VIFPVBQESA-N 1 0 375.210 1.296 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419129487 531902522 /nfs/dbraw/zinc/90/25/22/531902522.db2.gz DERYFCXBPPWXRX-RISCZKNCSA-N 1 0 388.295 1.993 20 0 GDADRO C[C@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000419130666 531902935 /nfs/dbraw/zinc/90/29/35/531902935.db2.gz BLTXJKYDSZRLLK-TUKIKUTGSA-N 1 0 380.286 1.979 20 0 GDADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccnc1OCC(F)F ZINC000647900193 531903420 /nfs/dbraw/zinc/90/34/20/531903420.db2.gz KURGDICMCJYLGQ-OLZOCXBDSA-N 1 0 375.441 1.973 20 0 GDADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000674710097 531903582 /nfs/dbraw/zinc/90/35/82/531903582.db2.gz AAZHMYPPNMXNFH-GXTWGEPZSA-N 1 0 391.559 1.580 20 0 GDADRO [NH3+]CCNC(=O)C(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000419150749 531904525 /nfs/dbraw/zinc/90/45/25/531904525.db2.gz LKRPAERJSSAIEM-UHFFFAOYSA-N 1 0 399.072 1.326 20 0 GDADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000625877285 531917428 /nfs/dbraw/zinc/91/74/28/531917428.db2.gz AOMUNKJKCXIRLI-UHFFFAOYSA-N 1 0 397.277 1.730 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000678037497 531917984 /nfs/dbraw/zinc/91/79/84/531917984.db2.gz OREUFINJXJJEDF-CYBMUJFWSA-N 1 0 389.905 1.357 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1nn(C)cc1I ZINC000456513564 531918439 /nfs/dbraw/zinc/91/84/39/531918439.db2.gz VUBHCXZUCXLGEO-NXEZZACHSA-N 1 0 376.242 1.514 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419251377 531918599 /nfs/dbraw/zinc/91/85/99/531918599.db2.gz AVDPRDQNEPIFKO-RYUDHWBXSA-N 1 0 384.274 1.140 20 0 GDADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCOc1ccc(Br)cc1)C1CCCC1 ZINC000419259698 531919927 /nfs/dbraw/zinc/91/99/27/531919927.db2.gz MCTRABYILFIDFL-OAHLLOKOSA-N 1 0 398.301 1.578 20 0 GDADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCOc3ccc(Br)cc3)C[C@@H]12 ZINC000419260766 531919961 /nfs/dbraw/zinc/91/99/61/531919961.db2.gz OYUZOCGDCLCIHR-NILFDRSVSA-N 1 0 396.285 1.140 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000569363905 531921127 /nfs/dbraw/zinc/92/11/27/531921127.db2.gz PUCDMLQBSNWSNV-NSHDSACASA-N 1 0 394.324 1.730 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000419294630 531921220 /nfs/dbraw/zinc/92/12/20/531921220.db2.gz BUYGKUGQPIGJSX-QWHCGFSZSA-N 1 0 382.302 1.891 20 0 GDADRO CN(C)C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000625983483 531921397 /nfs/dbraw/zinc/92/13/97/531921397.db2.gz RJRXBYUSDUOAID-YOEHRIQHSA-N 1 0 376.328 1.879 20 0 GDADRO C[N@@H+]1C[C@@H](CNC(=O)c2csc(S(N)(=O)=O)c2)[C@H](c2ccccc2)C1 ZINC000649100477 531921536 /nfs/dbraw/zinc/92/15/36/531921536.db2.gz MWKXPQCUYXEARA-CABCVRRESA-N 1 0 379.507 1.471 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCOc1ccc(Br)cc1 ZINC000419265834 531921962 /nfs/dbraw/zinc/92/19/62/531921962.db2.gz ZNBGOCJOIWVVEA-RISCZKNCSA-N 1 0 384.274 1.058 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419303294 531922660 /nfs/dbraw/zinc/92/26/60/531922660.db2.gz RNTJHKGUBKIIEA-IUODEOHRSA-N 1 0 382.302 1.796 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419305799 531923395 /nfs/dbraw/zinc/92/33/95/531923395.db2.gz XHABKBKECOXXPE-QWHCGFSZSA-N 1 0 382.302 1.878 20 0 GDADRO COc1nc(N2CC[NH+](CCCC(=O)N(C)C)CC2)ncc1Br ZINC000569496819 531924686 /nfs/dbraw/zinc/92/46/86/531924686.db2.gz VTAAVURJTGZDNL-UHFFFAOYSA-N 1 0 386.294 1.238 20 0 GDADRO COCC[NH2+]C1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000569497690 531925064 /nfs/dbraw/zinc/92/50/64/531925064.db2.gz OGFVAAPNIMKZKA-UHFFFAOYSA-N 1 0 382.262 1.332 20 0 GDADRO CCC[C@H](NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000419312491 531925458 /nfs/dbraw/zinc/92/54/58/531925458.db2.gz ZHXYOHZQIHIZBK-KKUMJFAQSA-N 1 0 388.295 1.742 20 0 GDADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(Br)cc1OC ZINC000419350271 531926496 /nfs/dbraw/zinc/92/64/96/531926496.db2.gz FMFZFMHXCARFMV-CYBMUJFWSA-N 1 0 386.290 1.708 20 0 GDADRO C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccccc2Br)[C@@H]1C[NH3+] ZINC000419211663 531914438 /nfs/dbraw/zinc/91/44/38/531914438.db2.gz XPIVNOJBIQBGFE-IUODEOHRSA-N 1 0 382.302 1.694 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1ccccc1Br ZINC000283970921 531915050 /nfs/dbraw/zinc/91/50/50/531915050.db2.gz ZJTXFIIYYGWMDK-IUODEOHRSA-N 1 0 382.302 1.864 20 0 GDADRO O=C(N[C@H]1CSc2ccc(Br)cc21)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419247455 531915876 /nfs/dbraw/zinc/91/58/76/531915876.db2.gz NFCIFGDRRVJMBL-YPMHNXCESA-N 1 0 398.326 1.970 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)CCC1 ZINC000419236530 531916196 /nfs/dbraw/zinc/91/61/96/531916196.db2.gz BCHTYSMZKIXJBR-NSHDSACASA-N 1 0 384.299 1.710 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CSc3ccc(Br)cc32)CC[C@H]1[NH3+] ZINC000419237604 531916516 /nfs/dbraw/zinc/91/65/16/531916516.db2.gz CFRUOYSANAFVRY-WQAKAFBOSA-N 1 0 398.326 1.908 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419353545 531928790 /nfs/dbraw/zinc/92/87/90/531928790.db2.gz JVEYLOCUXGANLG-LBPRGKRZSA-N 1 0 398.301 1.580 20 0 GDADRO CC[NH2+]CCCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000569811293 531929388 /nfs/dbraw/zinc/92/93/88/531929388.db2.gz QRXHQVJJQQWPIJ-UHFFFAOYSA-N 1 0 382.258 1.551 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419366509 531929452 /nfs/dbraw/zinc/92/94/52/531929452.db2.gz ZBBNQMIZBLLZRN-UHFFFAOYSA-N 1 0 386.290 1.517 20 0 GDADRO CC[C@@H](CNC(=O)C(=O)N(C)CC[NH2+]C)Cc1cccc(Br)c1 ZINC000419360285 531930128 /nfs/dbraw/zinc/93/01/28/531930128.db2.gz LLKJGTLFVXFBJC-CYBMUJFWSA-N 1 0 384.318 1.812 20 0 GDADRO O=C(NCc1ccc(O)c(Br)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419415511 531930807 /nfs/dbraw/zinc/93/08/07/531930807.db2.gz VHYBUUZTTPDPOI-JHJVBQTASA-N 1 0 396.285 1.275 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(O)c(Br)c2)C[C@H]1C[NH3+] ZINC000419412833 531930832 /nfs/dbraw/zinc/93/08/32/531930832.db2.gz RNJNUDAKDLHIGN-ZYHUDNBSSA-N 1 0 384.274 1.214 20 0 GDADRO O=C(NCc1ccc(O)c(Br)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419414564 531931986 /nfs/dbraw/zinc/93/19/86/531931986.db2.gz TYLOLDJBTGPIMN-NEPJUHHUSA-N 1 0 382.258 1.124 20 0 GDADRO O=C(NCc1nc(C(F)(F)F)cs1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000284152154 531934819 /nfs/dbraw/zinc/93/48/19/531934819.db2.gz XJVHJIKBZIDYIP-UHFFFAOYSA-N 1 0 376.404 1.521 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419594294 531939670 /nfs/dbraw/zinc/93/96/70/531939670.db2.gz YYXUEJYGRRDXIO-ONERCXAPSA-N 1 0 380.286 1.667 20 0 GDADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000419573236 531936094 /nfs/dbraw/zinc/93/60/94/531936094.db2.gz RUVXMJBPJJEVAL-LLVKDONJSA-N 1 0 376.288 1.406 20 0 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O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419585856 531938648 /nfs/dbraw/zinc/93/86/48/531938648.db2.gz KUECIWFDPWNUMO-INIZCTEOSA-N 1 0 392.297 1.979 20 0 GDADRO O=C(N[C@@H]1CCc2c1cccc2Br)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419581945 531938692 /nfs/dbraw/zinc/93/86/92/531938692.db2.gz FBUJFMVNWXAEMJ-JRPNMDOOSA-N 1 0 378.270 1.230 20 0 GDADRO COc1c(Cl)cc(NC(=O)C(=O)NCC2([NH3+])CCOCC2)cc1Cl ZINC000626859011 531939203 /nfs/dbraw/zinc/93/92/03/531939203.db2.gz JLNUIBLCZQBHNW-UHFFFAOYSA-N 1 0 376.240 1.565 20 0 GDADRO COc1cc(Br)ccc1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419353668 531928169 /nfs/dbraw/zinc/92/81/69/531928169.db2.gz KBLLLXRJJONXFB-GFCCVEGCSA-N 1 0 398.301 1.661 20 0 GDADRO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1F ZINC000369067778 531940774 /nfs/dbraw/zinc/94/07/74/531940774.db2.gz WGCCIXVXGNNZJM-GFCCVEGCSA-N 1 0 393.506 1.398 20 0 GDADRO CS(=O)(=O)N1CCC([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000684411531 531941017 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ZINC000419625049 531945464 /nfs/dbraw/zinc/94/54/64/531945464.db2.gz VZCMBQRSUASIQC-YWPYICTPSA-N 1 0 398.301 1.447 20 0 GDADRO C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)Oc1ccc(Br)cc1 ZINC000419627924 531945809 /nfs/dbraw/zinc/94/58/09/531945809.db2.gz YNCYNOOUJCMDGD-HZMBPMFUSA-N 1 0 384.274 1.186 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000419625641 531945888 /nfs/dbraw/zinc/94/58/88/531945888.db2.gz WSEBZVDYWYYAMW-RYUDHWBXSA-N 1 0 386.290 1.304 20 0 GDADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000419637498 531946700 /nfs/dbraw/zinc/94/67/00/531946700.db2.gz FLYQXBRNKQZQOW-ZIAGYGMSSA-N 1 0 395.301 1.094 20 0 GDADRO CCO[C@@H]1CN(S(=O)(=O)Cc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000652380269 531946768 /nfs/dbraw/zinc/94/67/68/531946768.db2.gz MHDROHRCXFVLCI-TZMCWYRMSA-N 1 0 377.304 1.575 20 0 GDADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419637889 531946882 /nfs/dbraw/zinc/94/68/82/531946882.db2.gz SSMFQBLCFAIOFU-ZOWXZIJZSA-N 1 0 398.301 1.367 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000299004801 531947535 /nfs/dbraw/zinc/94/75/35/531947535.db2.gz KEKPKKUEBXMDLT-HOTGVXAUSA-N 1 0 385.917 1.947 20 0 GDADRO COc1cc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc(OC)c1Br ZINC000571055938 531948179 /nfs/dbraw/zinc/94/81/79/531948179.db2.gz IJIBTVADHYWXHO-NSHDSACASA-N 1 0 387.278 1.573 20 0 GDADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000419648268 531948695 /nfs/dbraw/zinc/94/86/95/531948695.db2.gz RJJFMQYJUQXJIG-VHSXEESVSA-N 1 0 378.420 1.549 20 0 GDADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000270965149 531948766 /nfs/dbraw/zinc/94/87/66/531948766.db2.gz IAAVUFRHCMVPIJ-UHFFFAOYSA-N 1 0 384.274 1.997 20 0 GDADRO Cc1cnc([C@H](C)NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000627314360 531949366 /nfs/dbraw/zinc/94/93/66/531949366.db2.gz AKLPHWUZZXVYCD-AXFHLTTASA-N 1 0 378.420 1.614 20 0 GDADRO 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1.322 20 0 GDADRO CSC1(CNC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)CC[NH+](C)CC1 ZINC000597669322 531952502 /nfs/dbraw/zinc/95/25/02/531952502.db2.gz SKCUVLNMQGGSNP-QWHCGFSZSA-N 1 0 384.464 1.914 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000627455665 531952498 /nfs/dbraw/zinc/95/24/98/531952498.db2.gz FMXKXOOGARZNEX-MFKMUULPSA-N 1 0 399.289 1.197 20 0 GDADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419674876 531952613 /nfs/dbraw/zinc/95/26/13/531952613.db2.gz KJPFWDFRUXDYFQ-FZMZJTMJSA-N 1 0 396.285 1.244 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627456075 531952857 /nfs/dbraw/zinc/95/28/57/531952857.db2.gz YFRVFFAVSJOCFA-UHFFFAOYSA-N 1 0 384.274 1.032 20 0 GDADRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 ZINC000271009118 531953439 /nfs/dbraw/zinc/95/34/39/531953439.db2.gz XAWJHSKDIZWIIG-UHFFFAOYSA-N 1 0 395.522 1.598 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)C[NH2+]1 ZINC000627479373 531953673 /nfs/dbraw/zinc/95/36/73/531953673.db2.gz AOAMNRDOIAGDMQ-DGCLKSJQSA-N 1 0 380.286 1.591 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC000627476441 531953960 /nfs/dbraw/zinc/95/39/60/531953960.db2.gz FNVDMRHJRSBRDU-JSGCOSHPSA-N 1 0 394.313 1.899 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCc3c(Br)cccc3C2)C[NH2+]1 ZINC000627479375 531954121 /nfs/dbraw/zinc/95/41/21/531954121.db2.gz AOAMNRDOIAGDMQ-YPMHNXCESA-N 1 0 380.286 1.591 20 0 GDADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C[NH2+]1 ZINC000627477439 531954156 /nfs/dbraw/zinc/95/41/56/531954156.db2.gz VYIMASOQYZXKJN-ZWNOBZJWSA-N 1 0 398.276 1.730 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)C[C@@H]1C[NH3+] ZINC000419732830 531964061 /nfs/dbraw/zinc/96/40/61/531964061.db2.gz SXAVHEAHHCCFHL-NRUUGDAUSA-N 1 0 386.279 1.986 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1Br ZINC000419691426 531955607 /nfs/dbraw/zinc/95/56/07/531955607.db2.gz WHWSUOKSUZHINW-WCQYABFASA-N 1 0 377.304 1.737 20 0 GDADRO COC(=O)c1ccc(C[NH2+]CCC(=O)N2CCOCC2)c(Br)c1 ZINC000284405778 531956028 /nfs/dbraw/zinc/95/60/28/531956028.db2.gz QBJFKWJNGVNUGE-UHFFFAOYSA-N 1 0 385.258 1.574 20 0 GDADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000571998824 531956258 /nfs/dbraw/zinc/95/62/58/531956258.db2.gz YOOQLMPFKCDOFN-CQSZACIVSA-N 1 0 378.885 1.948 20 0 GDADRO O=C(NCc1ccc(Br)s1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419687497 531956273 /nfs/dbraw/zinc/95/62/73/531956273.db2.gz DWEFLHNRSDMZQX-HBNTYKKESA-N 1 0 386.315 1.631 20 0 GDADRO C[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)C[NH+]1CCCCC1 ZINC000299093636 531956737 /nfs/dbraw/zinc/95/67/37/531956737.db2.gz NNXZIDVUIMVUPO-AWEZNQCLSA-N 1 0 387.571 1.692 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC[NH2+]1 ZINC000419754780 531965540 /nfs/dbraw/zinc/96/55/40/531965540.db2.gz CIQIIEJUZRAVKG-DGCLKSJQSA-N 1 0 385.295 1.509 20 0 GDADRO Cc1ccccc1OC[C@H](O)C[NH2+]CCn1cc(Br)ccc1=O ZINC000573237918 531978866 /nfs/dbraw/zinc/97/88/66/531978866.db2.gz FBFLBYMMOHHHJJ-OAHLLOKOSA-N 1 0 381.270 1.949 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271104376 531967006 /nfs/dbraw/zinc/96/70/06/531967006.db2.gz LZOYUVQXNWQTIB-YPMHNXCESA-N 1 0 389.905 1.165 20 0 GDADRO Cc1cc(NC(=O)CNC(=O)[C@H](C)C[NH+]2CCOCC2)ccc1Br ZINC000271107016 531968148 /nfs/dbraw/zinc/96/81/48/531968148.db2.gz LKZQFRZIWNGHNK-CYBMUJFWSA-N 1 0 398.301 1.781 20 0 GDADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000419782850 531968704 /nfs/dbraw/zinc/96/87/04/531968704.db2.gz RMNIRADIDLETHG-BMIGLBTASA-N 1 0 398.276 1.963 20 0 GDADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000419783546 531968840 /nfs/dbraw/zinc/96/88/40/531968840.db2.gz SKRNOSBDCHFLFX-GMXVVIOVSA-N 1 0 398.301 1.892 20 0 GDADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419781615 531969047 /nfs/dbraw/zinc/96/90/47/531969047.db2.gz QBQYPWQMZYYSIA-DGCLKSJQSA-N 1 0 398.301 1.893 20 0 GDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000457920015 531969343 /nfs/dbraw/zinc/96/93/43/531969343.db2.gz DNBZTUULDHLFGP-ZNMIVQPWSA-N 1 0 376.567 1.370 20 0 GDADRO CC[NH+]1CCN(CC(=O)N[C@@H](C(=O)OC)c2ccccc2Br)CC1 ZINC000598181575 531970438 /nfs/dbraw/zinc/97/04/38/531970438.db2.gz AFPRFWDZUWHCRJ-MRXNPFEDSA-N 1 0 398.301 1.417 20 0 GDADRO CN1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000572856590 531970960 /nfs/dbraw/zinc/97/09/60/531970960.db2.gz DTZTZGULHQSWKL-CQSZACIVSA-N 1 0 375.300 1.794 20 0 GDADRO COc1cc(F)c(Br)cc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419801240 531971298 /nfs/dbraw/zinc/97/12/98/531971298.db2.gz BCCPKJDMXMOZQL-UHFFFAOYSA-N 1 0 388.237 1.746 20 0 GDADRO CC(C)(CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(Br)cc1 ZINC000419805322 531971427 /nfs/dbraw/zinc/97/14/27/531971427.db2.gz DIYXSDFGIFAVLS-DOMZBBRYSA-N 1 0 394.313 1.663 20 0 GDADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000271130288 531971596 /nfs/dbraw/zinc/97/15/96/531971596.db2.gz RVFKYSZUVGTTMM-STQMWFEESA-N 1 0 389.905 1.355 20 0 GDADRO CC(C)(CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000419815840 531973872 /nfs/dbraw/zinc/97/38/72/531973872.db2.gz KVQAULDIYGALAO-CYBMUJFWSA-N 1 0 396.329 1.959 20 0 GDADRO C[NH2+]CCCN(C)C(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000419821580 531973967 /nfs/dbraw/zinc/97/39/67/531973967.db2.gz OSOWYEYXTSYICL-UHFFFAOYSA-N 1 0 384.318 1.911 20 0 GDADRO Cc1ccc([C@H](CNC(=O)CNS(=O)(=O)c2cccs2)[NH+](C)C)cc1 ZINC000299316271 531979004 /nfs/dbraw/zinc/97/90/04/531979004.db2.gz GPSJRHYRFWWWCL-HNNXBMFYSA-N 1 0 381.523 1.754 20 0 GDADRO O=C1CN(CCC[NH2+]Cc2cc(OC(F)F)ccc2Br)CCN1 ZINC000655793096 531974874 /nfs/dbraw/zinc/97/48/74/531974874.db2.gz VBGJWXPDHMWOBT-UHFFFAOYSA-N 1 0 392.244 1.962 20 0 GDADRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@H](C)O1 ZINC000419828048 531975049 /nfs/dbraw/zinc/97/50/49/531975049.db2.gz YEKIFDRMWYOPQC-JFGNBEQYSA-N 1 0 377.304 2.000 20 0 GDADRO [NH3+]CCCCNC(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000419831855 531975346 /nfs/dbraw/zinc/97/53/46/531975346.db2.gz MMYNSGDQMQUJEN-CQSZACIVSA-N 1 0 384.274 1.204 20 0 GDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419826260 531975550 /nfs/dbraw/zinc/97/55/50/531975550.db2.gz QVCNMFORKROPME-SCLBCKFNSA-N 1 0 394.313 1.708 20 0 GDADRO C[NH2+]CCCNC(=O)C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000419840963 531976207 /nfs/dbraw/zinc/97/62/07/531976207.db2.gz FHAJNBXJVFECGW-ZDUSSCGKSA-N 1 0 384.274 1.457 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000419851370 531977825 /nfs/dbraw/zinc/97/78/25/531977825.db2.gz AYAIJLIKLIGPPS-LBPRGKRZSA-N 1 0 380.286 1.450 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1F ZINC000271198281 531978778 /nfs/dbraw/zinc/97/87/78/531978778.db2.gz IAHBLDFQAJXVNY-UHFFFAOYSA-N 1 0 393.506 1.352 20 0 GDADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000419984102 531992989 /nfs/dbraw/zinc/99/29/89/531992989.db2.gz CVODPRATEDSMER-SWLSCSKDSA-N 1 0 397.317 1.706 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000419977654 531993337 /nfs/dbraw/zinc/99/33/37/531993337.db2.gz MXRQUNOUJXUUNU-LBPRGKRZSA-N 1 0 382.302 1.912 20 0 GDADRO CC[NH2+]CCNC(=O)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000419879095 531980629 /nfs/dbraw/zinc/98/06/29/531980629.db2.gz SLFTWJZIHOLJND-DOMZBBRYSA-N 1 0 398.301 1.463 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000419883340 531980672 /nfs/dbraw/zinc/98/06/72/531980672.db2.gz DBWQTSFHIFYFEA-INIZCTEOSA-N 1 0 392.297 1.933 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419882995 531980710 /nfs/dbraw/zinc/98/07/10/531980710.db2.gz CXGIEJWRSMNBKZ-ABAIWWIYSA-N 1 0 380.286 1.591 20 0 GDADRO C[NH2+]CCNC(=O)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000419893927 531982156 /nfs/dbraw/zinc/98/21/56/531982156.db2.gz KRPOGASBZHWJAR-AWEZNQCLSA-N 1 0 383.290 1.188 20 0 GDADRO CC1(c2ccc(Br)cc2)CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419891095 531982328 /nfs/dbraw/zinc/98/23/28/531982328.db2.gz TYJNTKRBKTWGOM-HNNXBMFYSA-N 1 0 394.313 1.807 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419889076 531982551 /nfs/dbraw/zinc/98/25/51/531982551.db2.gz KRTIRXWVVVDAGV-ZDUSSCGKSA-N 1 0 384.274 1.284 20 0 GDADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000419905484 531983715 /nfs/dbraw/zinc/98/37/15/531983715.db2.gz YZTXNHJGDWYTOV-GJZGRUSLSA-N 1 0 380.286 1.981 20 0 GDADRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000419898020 531984131 /nfs/dbraw/zinc/98/41/31/531984131.db2.gz ZEVLUTGCRYLAAJ-OAHLLOKOSA-N 1 0 380.286 1.666 20 0 GDADRO C[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[NH+]1CCC(C)CC1 ZINC000299370902 531984502 /nfs/dbraw/zinc/98/45/02/531984502.db2.gz RFOAVIKQMAEXEC-CQSZACIVSA-N 1 0 387.571 1.690 20 0 GDADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCc2cccc(Br)c2C1 ZINC000419911296 531985188 /nfs/dbraw/zinc/98/51/88/531985188.db2.gz JJUIEXHSXJGQDJ-GFCCVEGCSA-N 1 0 380.286 1.450 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000419939723 531988005 /nfs/dbraw/zinc/98/80/05/531988005.db2.gz JMCPFDNJGUDOHZ-FZMZJTMJSA-N 1 0 384.274 1.060 20 0 GDADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000419943114 531988030 /nfs/dbraw/zinc/98/80/30/531988030.db2.gz GVSJAPOYTROYBU-LLVKDONJSA-N 1 0 388.299 1.009 20 0 GDADRO Cc1ncsc1CCS(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000657042104 531988902 /nfs/dbraw/zinc/98/89/02/531988902.db2.gz NBSFIPCRUDMZOR-UHFFFAOYSA-N 1 0 387.571 1.804 20 0 GDADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000419948193 531989768 /nfs/dbraw/zinc/98/97/68/531989768.db2.gz YUDZUUCUAOFRGL-LALPHHSUSA-N 1 0 398.301 1.449 20 0 GDADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000370527279 531989838 /nfs/dbraw/zinc/98/98/38/531989838.db2.gz IJMHREJKEKFFQD-GOSISDBHSA-N 1 0 376.563 1.956 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000419958161 531991166 /nfs/dbraw/zinc/99/11/66/531991166.db2.gz UTDFMTJOHAGZNV-SWLSCSKDSA-N 1 0 398.301 1.321 20 0 GDADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000419962617 531991423 /nfs/dbraw/zinc/99/14/23/531991423.db2.gz VLCDCCOIYLMHGA-LBPRGKRZSA-N 1 0 398.301 1.530 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(I)cn1 ZINC000419968660 531991687 /nfs/dbraw/zinc/99/16/87/531991687.db2.gz AYPHZHVPUMWWGN-ZDUSSCGKSA-N 1 0 377.226 1.119 20 0 GDADRO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000574577551 531995721 /nfs/dbraw/zinc/99/57/21/531995721.db2.gz BMZYTVRPUKWQSO-SNVBAGLBSA-N 1 0 380.388 1.770 20 0 GDADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000420006646 531995734 /nfs/dbraw/zinc/99/57/34/531995734.db2.gz ZKXDBUGKASRDLM-ZIAGYGMSSA-N 1 0 398.301 1.831 20 0 GDADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(I)ccc1F ZINC000420017687 531996072 /nfs/dbraw/zinc/99/60/72/531996072.db2.gz OVJBQEJXOOBQGH-AWEZNQCLSA-N 1 0 394.228 1.863 20 0 GDADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ncc1Br ZINC000370622759 531997150 /nfs/dbraw/zinc/99/71/50/531997150.db2.gz RACQLLOVQKQRQJ-NWDGAFQWSA-N 1 0 381.274 1.834 20 0 GDADRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000420036010 531997830 /nfs/dbraw/zinc/99/78/30/531997830.db2.gz ZWZIZVDJEGZQFJ-LBPRGKRZSA-N 1 0 382.302 1.793 20 0 GDADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420028167 531997928 /nfs/dbraw/zinc/99/79/28/531997928.db2.gz DMUSMBXJAWSLQD-HNNXBMFYSA-N 1 0 394.313 1.793 20 0 GDADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420041798 531999217 /nfs/dbraw/zinc/99/92/17/531999217.db2.gz CPJQOSSCATVSSA-RISCZKNCSA-N 1 0 398.301 1.591 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000370673292 531998509 /nfs/dbraw/zinc/99/85/09/531998509.db2.gz LVDXSWXZIJDMNZ-WDEREUQCSA-N 1 0 375.853 1.668 20 0 GDADRO O=S(=O)(C[C@@H]1CCCCC1(F)F)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000574876662 531998666 /nfs/dbraw/zinc/99/86/66/531998666.db2.gz DPLSTSWTFXOEQM-RYUDHWBXSA-N 1 0 393.422 1.567 20 0 GDADRO C[C@]1(CNC(=O)C(=O)N2CCc3cc(Br)ccc3C2)CCC[NH2+]C1 ZINC000420111370 532002664 /nfs/dbraw/zinc/00/26/64/532002664.db2.gz WQVPNMXZNHCGMR-SFHVURJKSA-N 1 0 394.313 1.840 20 0 GDADRO CS[C@@H]1CN(C(=O)c2cnn3cc(Br)cnc23)C[C@H]1[NH+](C)C ZINC000271327770 532003457 /nfs/dbraw/zinc/00/34/57/532003457.db2.gz MPCPXDCRLWDGBT-VXGBXAGGSA-N 1 0 384.303 1.609 20 0 GDADRO COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)c1F ZINC000599097006 532004963 /nfs/dbraw/zinc/00/49/63/532004963.db2.gz AIHNGAXKVFKMIU-QLJPJBMISA-N 1 0 376.425 1.937 20 0 GDADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCOc2ccc(Br)cc2)CC[NH2+]1 ZINC000420119503 532003980 /nfs/dbraw/zinc/00/39/80/532003980.db2.gz JEVZVHBYQMGNOT-GXTWGEPZSA-N 1 0 398.301 1.543 20 0 GDADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(F)cncc1Br ZINC000657395108 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GDADRO C[C@H]([NH3+])[C@@H]1CCCN(c2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000420181008 532007414 /nfs/dbraw/zinc/00/74/14/532007414.db2.gz DORFTBIFODVIAN-NWDGAFQWSA-N 1 0 378.274 1.954 20 0 GDADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1nn(C)cc1I ZINC000459107918 532007754 /nfs/dbraw/zinc/00/77/54/532007754.db2.gz QFSCEENBUYDSPT-SNVBAGLBSA-N 1 0 391.257 1.260 20 0 GDADRO COC[C@@H](CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)OC ZINC000657555940 532009236 /nfs/dbraw/zinc/00/92/36/532009236.db2.gz YNGYPAYSKZBDLV-LLVKDONJSA-N 1 0 381.292 1.238 20 0 GDADRO COc1ccc(Br)cc1CN(C)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420215402 532009565 /nfs/dbraw/zinc/00/95/65/532009565.db2.gz WBQYBTHPGNQFKO-BXUZGUMPSA-N 1 0 398.301 1.660 20 0 GDADRO C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCC(F)(F)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000632160376 532013405 /nfs/dbraw/zinc/01/34/05/532013405.db2.gz BLMLMZFOWBGSLN-BZUAXINKSA-N 1 0 379.517 1.709 20 0 GDADRO OCCO[C@@]1(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CCOC1 ZINC000657597371 532011939 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GDADRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000271490376 532020536 /nfs/dbraw/zinc/02/05/36/532020536.db2.gz KLRTYZFVVGWUHG-LBPRGKRZSA-N 1 0 375.560 1.880 20 0 GDADRO Cc1c(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000420468598 532020978 /nfs/dbraw/zinc/02/09/78/532020978.db2.gz GMACCHWMHGQXKG-OAHLLOKOSA-N 1 0 384.889 1.572 20 0 GDADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000420485366 532021425 /nfs/dbraw/zinc/02/14/25/532021425.db2.gz ZXMFGCIQSZQZKP-YPMHNXCESA-N 1 0 394.946 1.490 20 0 GDADRO COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420482460 532022069 /nfs/dbraw/zinc/02/20/69/532022069.db2.gz UIEYPTAEMLETSK-LBPRGKRZSA-N 1 0 385.877 1.425 20 0 GDADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000372118144 532031162 /nfs/dbraw/zinc/03/11/62/532031162.db2.gz CLSQNUJEPJEIDG-MRXNPFEDSA-N 1 0 386.265 1.615 20 0 GDADRO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000577062440 532032118 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C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c3C2)C[C@H]1[NH3+] ZINC000332177419 532168431 /nfs/dbraw/zinc/16/84/31/532168431.db2.gz RINKDTVCCZZDED-YMTOWFKASA-N 1 0 384.249 1.279 20 0 GDADRO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)CC2 ZINC000332193833 532169924 /nfs/dbraw/zinc/16/99/24/532169924.db2.gz VQIVTBSCFDFMSV-IAQYHMDHSA-N 1 0 380.286 1.448 20 0 GDADRO O=C(CC[N@@H+]1CCN2CCOC[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000375243213 532156276 /nfs/dbraw/zinc/15/62/76/532156276.db2.gz VSWBVIYEUXLUKZ-ZDUSSCGKSA-N 1 0 386.265 1.933 20 0 GDADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286538745 532158227 /nfs/dbraw/zinc/15/82/27/532158227.db2.gz ODAYSTIMMMGKQP-GXSJLCMTSA-N 1 0 379.404 1.668 20 0 GDADRO CC[N@H+](CCNC(=O)NC1CCC(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC000425997545 532159805 /nfs/dbraw/zinc/15/98/05/532159805.db2.gz CHLDBTACAQZVLW-UHFFFAOYSA-N 1 0 387.468 1.916 20 0 GDADRO CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000286587996 532162537 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532214246 /nfs/dbraw/zinc/21/42/46/532214246.db2.gz QIVRZIADVNVHJU-UHFFFAOYSA-N 1 0 383.861 1.097 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000274503044 532214779 /nfs/dbraw/zinc/21/47/79/532214779.db2.gz FNLYFDXHUHUFFA-HNNXBMFYSA-N 1 0 385.917 1.286 20 0 GDADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000332640810 532202137 /nfs/dbraw/zinc/20/21/37/532202137.db2.gz ZNSJEIKCNUODNU-CZUORRHYSA-N 1 0 387.933 1.807 20 0 GDADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000332637062 532202350 /nfs/dbraw/zinc/20/23/50/532202350.db2.gz XQDHSPVXBXHIDE-OLZOCXBDSA-N 1 0 385.917 1.851 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)ccc3C2)CC[C@H]1[NH3+] ZINC000332654407 532203145 /nfs/dbraw/zinc/20/31/45/532203145.db2.gz YYNGGSLNWDYRCE-IAQYHMDHSA-N 1 0 380.286 1.530 20 0 GDADRO Cc1cc(Br)cc2c1CN(C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)CC2 ZINC000332653400 532203530 /nfs/dbraw/zinc/20/35/30/532203530.db2.gz YTRVHCNJVRWDHW-BLLLJJGKSA-N 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MRKUTFWOFCMTJW-KCPJHIHWSA-N 1 0 395.301 1.759 20 0 GDADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000333651312 532244032 /nfs/dbraw/zinc/24/40/32/532244032.db2.gz VUYMCDHNUBIQLL-CQDKDKBSSA-N 1 0 395.301 1.994 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000333663026 532244199 /nfs/dbraw/zinc/24/41/99/532244199.db2.gz LUYYVIWSLGOTNB-UGFHNGPFSA-N 1 0 395.301 1.630 20 0 GDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000333701265 532245908 /nfs/dbraw/zinc/24/59/08/532245908.db2.gz DYKMSBSBDZJYOA-LSDHHAIUSA-N 1 0 385.555 1.842 20 0 GDADRO COc1ccc(Br)cc1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000287855514 532245991 /nfs/dbraw/zinc/24/59/91/532245991.db2.gz RFAFYKKXLOTNTA-UHFFFAOYSA-N 1 0 398.301 1.674 20 0 GDADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000333730430 532247687 /nfs/dbraw/zinc/24/76/87/532247687.db2.gz WAZHUVDQVVLICT-SWLSCSKDSA-N 1 0 395.301 1.631 20 0 GDADRO 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GDADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000736186468 598865578 /nfs/dbraw/zinc/86/55/78/598865578.db2.gz CKBIZHTUYDLPEQ-GFCCVEGCSA-N 1 0 376.380 1.853 20 0 GDADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736473435 598873472 /nfs/dbraw/zinc/87/34/72/598873472.db2.gz OPEDBBZLRXKGLJ-UHFFFAOYSA-N 1 0 384.481 1.796 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]Cc1ccccc1OCC1CC1)C2 ZINC000738436045 598887888 /nfs/dbraw/zinc/88/78/88/598887888.db2.gz MSWFDYVEYYFHDP-CQSZACIVSA-N 1 0 380.456 1.684 20 0 GDADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1csc2cncn21 ZINC000736767200 598894232 /nfs/dbraw/zinc/89/42/32/598894232.db2.gz NRLHDUWLPOGIHL-UHFFFAOYSA-N 1 0 396.480 1.780 20 0 GDADRO CC(C)C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1)[NH+](C)C ZINC000735771366 598911722 /nfs/dbraw/zinc/91/17/22/598911722.db2.gz NVORRIAVXOGMEN-OAHLLOKOSA-N 1 0 397.487 1.341 20 0 GDADRO CC(C)C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC000735773714 598911731 /nfs/dbraw/zinc/91/17/31/598911731.db2.gz YCQMGFHBGSXPQX-ROUUACIJSA-N 1 0 385.516 1.928 20 0 GDADRO Cc1nc(SCC(=O)N2CC[C@@H](C[NH+](C)C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737482718 598912198 /nfs/dbraw/zinc/91/21/98/598912198.db2.gz LDAZZKTWSATRQS-AWEZNQCLSA-N 1 0 389.529 1.689 20 0 GDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000736770585 598922527 /nfs/dbraw/zinc/92/25/27/598922527.db2.gz AWICRMDNQIPTSJ-UHFFFAOYSA-N 1 0 393.451 1.599 20 0 GDADRO C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736112958 598972862 /nfs/dbraw/zinc/97/28/62/598972862.db2.gz LHPXSCZVEVVGEB-AWEZNQCLSA-N 1 0 387.488 1.680 20 0 GDADRO CCCC(=O)NC1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000736411924 598981807 /nfs/dbraw/zinc/98/18/07/598981807.db2.gz MDWSWCHINXMLHX-UHFFFAOYSA-N 1 0 388.472 1.635 20 0 GDADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000736570065 598983250 /nfs/dbraw/zinc/98/32/50/598983250.db2.gz VMUSEUHCIWWSSB-UHFFFAOYSA-N 1 0 378.440 1.656 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000736564445 599007728 /nfs/dbraw/zinc/00/77/28/599007728.db2.gz BQOSSCXDWSEREL-BBRMVZONSA-N 1 0 378.502 1.501 20 0 GDADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738051116 599027143 /nfs/dbraw/zinc/02/71/43/599027143.db2.gz ZQABMTNERBIHPD-UHFFFAOYSA-N 1 0 383.481 1.965 20 0 GDADRO NC(=O)[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731396 599089501 /nfs/dbraw/zinc/08/95/01/599089501.db2.gz RNQWXGIVNROMCI-MOPGFXCFSA-N 1 0 391.479 1.820 20 0 GDADRO COc1cccc(N2CC[C@H]([NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737137178 599097134 /nfs/dbraw/zinc/09/71/34/599097134.db2.gz BUIOFIXHBGTIGK-YJBOKZPZSA-N 1 0 393.451 1.270 20 0 GDADRO CC(C)(C)c1csc(CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000735652819 599097341 /nfs/dbraw/zinc/09/73/41/599097341.db2.gz SFYOZHMQJMPJKW-OAHLLOKOSA-N 1 0 385.497 1.979 20 0 GDADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC[N@@H+]1C ZINC000736225441 599101442 /nfs/dbraw/zinc/10/14/42/599101442.db2.gz CGDGSHSSMDDVJV-SWLSCSKDSA-N 1 0 395.471 1.189 20 0 GDADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC[N@@H+]1C ZINC000736225434 599101938 /nfs/dbraw/zinc/10/19/38/599101938.db2.gz CGDGSHSSMDDVJV-DOMZBBRYSA-N 1 0 395.471 1.189 20 0 GDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614685 599193575 /nfs/dbraw/zinc/19/35/75/599193575.db2.gz QQTOQXXXMYGKAS-GOSISDBHSA-N 1 0 392.463 1.978 20 0 GDADRO CC(C)(C)[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)CCS(C)(=O)=O ZINC000819914070 607260882 /nfs/dbraw/zinc/26/08/82/607260882.db2.gz JQFYPTDBYGCXFS-UHFFFAOYSA-N 1 0 381.502 1.781 20 0 GDADRO CN1CCC(CNC(=O)c2cccc(-c3nn[nH]n3)c2)([NH+]2CCCCC2)CC1 ZINC000736847533 599231426 /nfs/dbraw/zinc/23/14/26/599231426.db2.gz GVZXXLUWLWVSJL-UHFFFAOYSA-N 1 0 383.500 1.547 20 0 GDADRO CC[N@H+](CCO)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736536498 599241266 /nfs/dbraw/zinc/24/12/66/599241266.db2.gz JZWUUDXFNUBSFD-UHFFFAOYSA-N 1 0 378.502 1.840 20 0 GDADRO Cc1c(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cccc1-c1nn[nH]n1 ZINC000822053737 607276183 /nfs/dbraw/zinc/27/61/83/607276183.db2.gz QEZFQRADVLOYLI-BETUJISGSA-N 1 0 385.472 1.493 20 0 GDADRO C[C@H](Oc1cccnc1)C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736188222 599261338 /nfs/dbraw/zinc/26/13/38/599261338.db2.gz JKKLJIPZODOLDR-HNNXBMFYSA-N 1 0 395.467 1.619 20 0 GDADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2cc(-c3nn[nH]n3)cs2)c1 ZINC000822864629 607313584 /nfs/dbraw/zinc/31/35/84/607313584.db2.gz GWZCKWLFQDBCLI-INIZCTEOSA-N 1 0 383.481 1.990 20 0 GDADRO C[NH+](C)CCn1c2cc(NCc3cccc(-c4nn[nH]n4)c3)ccc2oc1=O ZINC000821587034 607314945 /nfs/dbraw/zinc/31/49/45/607314945.db2.gz CRQSIYZKBWECSW-UHFFFAOYSA-N 1 0 379.424 1.948 20 0 GDADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736236691 599270564 /nfs/dbraw/zinc/27/05/64/599270564.db2.gz LKRLSNOVFVZQJV-MDZRGWNJSA-N 1 0 397.527 1.820 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000736760973 599280810 /nfs/dbraw/zinc/28/08/10/599280810.db2.gz SCDCXQCJLXWLIX-MRXNPFEDSA-N 1 0 397.414 1.363 20 0 GDADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000820528787 607324014 /nfs/dbraw/zinc/32/40/14/607324014.db2.gz OKSACXUECUOHLI-CJNGLKHVSA-N 1 0 386.456 1.004 20 0 GDADRO CC[N@H+](CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)[C@@H](C)C(C)C ZINC000736556506 598233457 /nfs/dbraw/zinc/23/34/57/598233457.db2.gz WKLPZZUAWQZDCA-DJJJIMSYSA-N 1 0 385.472 1.958 20 0 GDADRO CN(C(=O)C[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1)C1CCCCC1 ZINC000736793199 598249229 /nfs/dbraw/zinc/24/92/29/598249229.db2.gz TYLQMUOBRLDLCA-UHFFFAOYSA-N 1 0 399.499 1.918 20 0 GDADRO CC(C)C(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735684726 598250574 /nfs/dbraw/zinc/25/05/74/598250574.db2.gz IJBMEKAMMQXDFC-MRXNPFEDSA-N 1 0 385.472 1.432 20 0 GDADRO O=C(CC[NH+]1CCC(N2CCCC2=O)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737840045 598252846 /nfs/dbraw/zinc/25/28/46/598252846.db2.gz YVBFZORMSYTCLU-UHFFFAOYSA-N 1 0 383.456 1.282 20 0 GDADRO O[C@@H](COCc1ccco1)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738385354 598262651 /nfs/dbraw/zinc/26/26/51/598262651.db2.gz HTZITSDRWVZJQC-MRXNPFEDSA-N 1 0 399.451 1.881 20 0 GDADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736529999 598265005 /nfs/dbraw/zinc/26/50/05/598265005.db2.gz DRTHLVDCLMXODV-UHFFFAOYSA-N 1 0 379.440 1.828 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)NCCSCc2ccccc2-c2nn[nH]n2)C1 ZINC000736756504 598269199 /nfs/dbraw/zinc/26/91/99/598269199.db2.gz KBYPCLDDDMJKFR-HNNXBMFYSA-N 1 0 389.529 1.836 20 0 GDADRO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736569383 598269332 /nfs/dbraw/zinc/26/93/32/598269332.db2.gz HIVZWLIJLCALIT-MRXNPFEDSA-N 1 0 399.499 1.904 20 0 GDADRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736264818 598283408 /nfs/dbraw/zinc/28/34/08/598283408.db2.gz GTMZIYIBOLZIJM-MRXNPFEDSA-N 1 0 398.515 1.430 20 0 GDADRO C[NH+](C)C1(CNC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)CCCC1 ZINC000736756009 598294089 /nfs/dbraw/zinc/29/40/89/598294089.db2.gz GCAIJAXQQRBFMP-UHFFFAOYSA-N 1 0 398.515 1.573 20 0 GDADRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736532871 598303746 /nfs/dbraw/zinc/30/37/46/598303746.db2.gz DTKANPMIZSKXDQ-HNNXBMFYSA-N 1 0 386.504 1.429 20 0 GDADRO C[C@H]1CCC[N@H+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000736266808 598334751 /nfs/dbraw/zinc/33/47/51/598334751.db2.gz PGNMEKAEVHRURN-AWEZNQCLSA-N 1 0 383.456 1.710 20 0 GDADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000735560736 598350892 /nfs/dbraw/zinc/35/08/92/598350892.db2.gz GRHZXBHLEPOJQQ-KGLIPLIRSA-N 1 0 381.444 1.197 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737007869 598363202 /nfs/dbraw/zinc/36/32/02/598363202.db2.gz QFGWOFSYCXNQOU-MRXNPFEDSA-N 1 0 390.513 1.327 20 0 GDADRO CC[C@@H]1CN(CCn2cccn2)CC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000736406073 598365683 /nfs/dbraw/zinc/36/56/83/598365683.db2.gz IJZKKMIZZCBEGZ-QGZVFWFLSA-N 1 0 396.499 1.538 20 0 GDADRO CCOCCN1CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736618779 598366609 /nfs/dbraw/zinc/36/66/09/598366609.db2.gz MNGOMNCMKHLPGA-HNNXBMFYSA-N 1 0 387.488 1.238 20 0 GDADRO Cc1cnn(CC2CC[NH+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737445768 598368335 /nfs/dbraw/zinc/36/83/35/598368335.db2.gz UZVGWYWNBOFKRN-UHFFFAOYSA-N 1 0 394.483 1.400 20 0 GDADRO C[C@@H]1CCC[C@@](CNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)([NH+](C)C)C1 ZINC000736254105 598404633 /nfs/dbraw/zinc/40/46/33/598404633.db2.gz XVVPREUHHGHRBS-JLTOFOAXSA-N 1 0 399.499 1.223 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000737059912 598431335 /nfs/dbraw/zinc/43/13/35/598431335.db2.gz YMGWRJBOKUDIAU-UHFFFAOYSA-N 1 0 396.455 1.866 20 0 GDADRO CCC[NH+]1CCC(NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1 ZINC000736479219 598432995 /nfs/dbraw/zinc/43/29/95/598432995.db2.gz DQJAZIAYQGVXDW-UHFFFAOYSA-N 1 0 395.471 1.239 20 0 GDADRO CC1CC[NH+](CCNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1 ZINC000736277450 598434782 /nfs/dbraw/zinc/43/47/82/598434782.db2.gz WLEWOAGMEREPIH-UHFFFAOYSA-N 1 0 395.471 1.096 20 0 GDADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736481859 598456063 /nfs/dbraw/zinc/45/60/63/598456063.db2.gz RHLJDKATWYRBIA-INIZCTEOSA-N 1 0 384.488 1.221 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000737024717 598464777 /nfs/dbraw/zinc/46/47/77/598464777.db2.gz NQMGKIPBHAIBPR-HNNXBMFYSA-N 1 0 386.456 1.341 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000737023232 598466317 /nfs/dbraw/zinc/46/63/17/598466317.db2.gz IVSQTVLZKGHMMQ-ZIAGYGMSSA-N 1 0 388.472 1.633 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736573591 598475549 /nfs/dbraw/zinc/47/55/49/598475549.db2.gz ZXYWCHYMIGKJFB-KRWDZBQOSA-N 1 0 392.467 1.783 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000737033473 598509552 /nfs/dbraw/zinc/50/95/52/598509552.db2.gz PUYFVVYYGXZCJW-OAHLLOKOSA-N 1 0 388.472 1.587 20 0 GDADRO CC(C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)N1CCCCCC1 ZINC000735710425 598521413 /nfs/dbraw/zinc/52/14/13/598521413.db2.gz TWTKYCUDWXIIIM-NVXWUHKLSA-N 1 0 387.536 1.595 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000738432141 598522414 /nfs/dbraw/zinc/52/24/14/598522414.db2.gz CGWDZGAZOCADLB-DLBZAZTESA-N 1 0 393.499 1.359 20 0 GDADRO COCC[N@H+](C)CCOc1cccc(CNc2ccc(-c3nn[nH]n3)cn2)c1 ZINC000736989445 598522770 /nfs/dbraw/zinc/52/27/70/598522770.db2.gz BWEYJDZEZDSLSK-UHFFFAOYSA-N 1 0 383.456 1.831 20 0 GDADRO C[C@H]1Cc2ccccc2N1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736295897 598526408 /nfs/dbraw/zinc/52/64/08/598526408.db2.gz BGIBBJNWXJAOLG-UONOGXRCSA-N 1 0 379.472 1.146 20 0 GDADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)C2 ZINC000738429212 598526819 /nfs/dbraw/zinc/52/68/19/598526819.db2.gz VWNJGZISPCRITR-HFTRVMKXSA-N 1 0 394.483 1.862 20 0 GDADRO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735664606 598530304 /nfs/dbraw/zinc/53/03/04/598530304.db2.gz LNINJYNQFAOKGP-DOMZBBRYSA-N 1 0 396.503 1.724 20 0 GDADRO CC(C)COc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735845587 598531467 /nfs/dbraw/zinc/53/14/67/598531467.db2.gz YOVYLINXBCJWNQ-MRXNPFEDSA-N 1 0 396.499 1.972 20 0 GDADRO Fc1ccc(OCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1F ZINC000737656405 598532244 /nfs/dbraw/zinc/53/22/44/598532244.db2.gz MGLSFCHAEODACU-JTQLQIEISA-N 1 0 376.371 1.052 20 0 GDADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000822535173 607359984 /nfs/dbraw/zinc/35/99/84/607359984.db2.gz IOYPCNREPZLKTJ-CQSZACIVSA-N 1 0 399.455 1.135 20 0 GDADRO CCN1CCN(C(=O)CC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000736568843 598540451 /nfs/dbraw/zinc/54/04/51/598540451.db2.gz DMRUBKPRQUAVFC-UHFFFAOYSA-N 1 0 397.527 1.633 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CCC([NH+](C)C)CC1 ZINC000819876962 607362097 /nfs/dbraw/zinc/36/20/97/607362097.db2.gz LJPOTGAAGFGIAL-LLVKDONJSA-N 1 0 389.529 1.770 20 0 GDADRO O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000737793379 598595516 /nfs/dbraw/zinc/59/55/16/598595516.db2.gz XQYZERUBACORQZ-SFHVURJKSA-N 1 0 381.484 1.390 20 0 GDADRO CC(C)(C)C[N@H+](CCO)CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000735603759 598616536 /nfs/dbraw/zinc/61/65/36/598616536.db2.gz ARDQWEABUSICHQ-UHFFFAOYSA-N 1 0 398.471 1.331 20 0 GDADRO C[C@H]1C[NH+](CCCNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000736284846 598630845 /nfs/dbraw/zinc/63/08/45/598630845.db2.gz HACBYLXPSWUPJU-RYUDHWBXSA-N 1 0 377.424 1.627 20 0 GDADRO C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[N@@H+]2CCC[C@@H]2C2CC2)C1=O ZINC000736222694 598671279 /nfs/dbraw/zinc/67/12/79/598671279.db2.gz JKOZDFVFYISYPP-BEFAXECRSA-N 1 0 381.440 1.466 20 0 GDADRO CCCn1cc(C[N@@H+]2CCCN(c3nnc(C)c(C)c3-c3nn[nH]n3)CC2)cn1 ZINC000736503445 598673187 /nfs/dbraw/zinc/67/31/87/598673187.db2.gz WVQVKIJJEKQXFE-UHFFFAOYSA-N 1 0 396.503 1.592 20 0 GDADRO O=C(C[N@H+]1CCc2ccc(O)cc2CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737883051 598684430 /nfs/dbraw/zinc/68/44/30/598684430.db2.gz CFXJSYDVGLUKRT-UHFFFAOYSA-N 1 0 378.436 1.289 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736231821 598689378 /nfs/dbraw/zinc/68/93/78/598689378.db2.gz YAWHKMDXCOYHNU-CHWSQXEVSA-N 1 0 396.492 1.652 20 0 GDADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736402177 598733649 /nfs/dbraw/zinc/73/36/49/598733649.db2.gz MASYSAYNQXHCLK-AWEZNQCLSA-N 1 0 399.499 1.822 20 0 GDADRO COc1ccccc1C[N@H+](CCO)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737150364 598764526 /nfs/dbraw/zinc/76/45/26/598764526.db2.gz PPMLXPWQWDUDRY-UHFFFAOYSA-N 1 0 396.451 1.698 20 0 GDADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000736863077 598771129 /nfs/dbraw/zinc/77/11/29/598771129.db2.gz IFQMVJQGRVUAFX-UHFFFAOYSA-N 1 0 386.504 1.036 20 0 GDADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737843665 598775861 /nfs/dbraw/zinc/77/58/61/598775861.db2.gz MCGZCBBPVSGSLY-QGZVFWFLSA-N 1 0 397.483 1.672 20 0 GDADRO C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736829712 598776841 /nfs/dbraw/zinc/77/68/41/598776841.db2.gz KSJZYXRPODMGKZ-ZDUSSCGKSA-N 1 0 393.373 1.714 20 0 GDADRO C[C@H](Cn1cccn1)[NH2+][C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736079100 598786032 /nfs/dbraw/zinc/78/60/32/598786032.db2.gz NARFDHBVOVXLSM-GHMZBOCLSA-N 1 0 386.485 1.619 20 0 GDADRO CCc1noc(C)c1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736713127 598805331 /nfs/dbraw/zinc/80/53/31/598805331.db2.gz NTAIOAMVSYGOTN-UHFFFAOYSA-N 1 0 383.456 1.930 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCc1ccncc1 ZINC000736768239 598819459 /nfs/dbraw/zinc/81/94/59/598819459.db2.gz YYSLMGSEVDVINX-UHFFFAOYSA-N 1 0 379.468 1.785 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000737033452 599296279 /nfs/dbraw/zinc/29/62/79/599296279.db2.gz PJHRQTCGMAXEAJ-DZGCQCFKSA-N 1 0 388.472 1.443 20 0 GDADRO CC(=O)N1CCN([C@@H]2C[N@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C)CC1 ZINC000735466608 599297811 /nfs/dbraw/zinc/29/78/11/599297811.db2.gz VFIGYTVPZWEYCW-QMTMVMCOSA-N 1 0 383.500 1.412 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000737032256 599319982 /nfs/dbraw/zinc/31/99/82/599319982.db2.gz HGAFLBBEGQGIOL-CQSZACIVSA-N 1 0 388.472 1.635 20 0 GDADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000821592863 599342367 /nfs/dbraw/zinc/34/23/67/599342367.db2.gz ZFXITPNCPWQXCB-GFCCVEGCSA-N 1 0 382.877 1.377 20 0 GDADRO O=S(=O)(c1cccc(F)c1-c1nn[nH]n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000823606549 599344105 /nfs/dbraw/zinc/34/41/05/599344105.db2.gz KVMFDAKRVFNMEQ-LBPRGKRZSA-N 1 0 380.449 1.255 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000821254119 599347185 /nfs/dbraw/zinc/34/71/85/599347185.db2.gz JXVMTVVSVKXDOX-IAQYHMDHSA-N 1 0 382.465 1.357 20 0 GDADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000735905564 599351268 /nfs/dbraw/zinc/35/12/68/599351268.db2.gz KVWYHXXPMQSOJR-AWEZNQCLSA-N 1 0 389.460 1.448 20 0 GDADRO O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823607382 599361719 /nfs/dbraw/zinc/36/17/19/599361719.db2.gz TUAHEZRDOXROSC-AWEZNQCLSA-N 1 0 376.486 1.363 20 0 GDADRO C[N@H+](CCC(=O)NCC(=O)c1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736792230 599364060 /nfs/dbraw/zinc/36/40/60/599364060.db2.gz QCMSKOQYCOHWHK-UHFFFAOYSA-N 1 0 378.436 1.688 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822266567 599366032 /nfs/dbraw/zinc/36/60/32/599366032.db2.gz CPVYLZULARGEJD-CQSZACIVSA-N 1 0 386.481 1.804 20 0 GDADRO O=C(NC1CC1)[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000823144587 599384052 /nfs/dbraw/zinc/38/40/52/599384052.db2.gz JLKKDPWZKJCTQC-GOSISDBHSA-N 1 0 378.436 1.855 20 0 GDADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1cccc(-c2nn[nH]n2)c1 ZINC000820410771 599388198 /nfs/dbraw/zinc/38/81/98/599388198.db2.gz GPTWPSXGTZODAQ-BDAKNGLRSA-N 1 0 385.350 1.294 20 0 GDADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000737799131 599391135 /nfs/dbraw/zinc/39/11/35/599391135.db2.gz JMXUCLTXTPABIL-LLYBFZRZSA-N 1 0 382.468 1.497 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000822267544 607376963 /nfs/dbraw/zinc/37/69/63/607376963.db2.gz ZRYPPDPGJDPDMN-LBPRGKRZSA-N 1 0 392.510 1.866 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000823210630 599454825 /nfs/dbraw/zinc/45/48/25/599454825.db2.gz CJWCUYMJIUGRFH-UHFFFAOYSA-N 1 0 394.439 1.172 20 0 GDADRO CO[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(Cl)c1 ZINC000821676952 599463851 /nfs/dbraw/zinc/46/38/51/599463851.db2.gz KNSSBNCIZOIPOT-XHDPSFHLSA-N 1 0 388.863 1.736 20 0 GDADRO COCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000821691313 599467037 /nfs/dbraw/zinc/46/70/37/599467037.db2.gz PSIWCAOYQQNFGN-UHFFFAOYSA-N 1 0 391.838 1.976 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@H](O)C[NH+]1CCCCC1 ZINC000822204387 599474148 /nfs/dbraw/zinc/47/41/48/599474148.db2.gz NHXZSNUHCVPLPQ-AWEZNQCLSA-N 1 0 385.447 1.543 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820092432 599476913 /nfs/dbraw/zinc/47/69/13/599476913.db2.gz LQKUFOOQZZIWRX-RHSMWYFYSA-N 1 0 387.488 1.584 20 0 GDADRO CC(=O)Nc1cccc(OCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000735489084 599487938 /nfs/dbraw/zinc/48/79/38/599487938.db2.gz UZMUGHKMMTYRQU-UHFFFAOYSA-N 1 0 392.423 1.641 20 0 GDADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000822337202 599524412 /nfs/dbraw/zinc/52/44/12/599524412.db2.gz VIDGIAAXTIXTRJ-IAGOWNOFSA-N 1 0 379.468 1.759 20 0 GDADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000822204368 599544498 /nfs/dbraw/zinc/54/44/98/599544498.db2.gz MYTZSUUUUMYJIL-CYBMUJFWSA-N 1 0 384.463 1.332 20 0 GDADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821625250 599573767 /nfs/dbraw/zinc/57/37/67/599573767.db2.gz JGQXFQPQPHMNMZ-JKSUJKDBSA-N 1 0 380.456 1.975 20 0 GDADRO O=C(CCN1CCC[N@H+](C[C@@H]2CCCO2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737842451 599586875 /nfs/dbraw/zinc/58/68/75/599586875.db2.gz BWFQNMHCCOVOLN-SFHVURJKSA-N 1 0 399.499 1.382 20 0 GDADRO COCCOC[C@H]1CC[N@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000821691859 599587341 /nfs/dbraw/zinc/58/73/41/599587341.db2.gz HGGSJFFIXVUPAR-ZDUSSCGKSA-N 1 0 385.428 1.402 20 0 GDADRO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821169824 599589347 /nfs/dbraw/zinc/58/93/47/599589347.db2.gz FMXNVDBVFHOCJZ-ICSRJNTNSA-N 1 0 397.479 1.970 20 0 GDADRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000822267481 599591377 /nfs/dbraw/zinc/59/13/77/599591377.db2.gz WGKHCQNRSXMEQP-UHFFFAOYSA-N 1 0 386.481 1.585 20 0 GDADRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737146095 599592304 /nfs/dbraw/zinc/59/23/04/599592304.db2.gz FPCZVLZBBIBHAO-QAPCUYQASA-N 1 0 378.436 1.891 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000822214850 599613368 /nfs/dbraw/zinc/61/33/68/599613368.db2.gz AIRAMDYMDUZQPY-OAHLLOKOSA-N 1 0 397.483 1.448 20 0 GDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821088794 599615758 /nfs/dbraw/zinc/61/57/58/599615758.db2.gz WOTWPXCWRIAVBN-LBPRGKRZSA-N 1 0 389.435 1.135 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738151937 599616884 /nfs/dbraw/zinc/61/68/84/599616884.db2.gz LHDCSWJRZCGBAY-INIZCTEOSA-N 1 0 383.456 1.282 20 0 GDADRO CC(C)C[C@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000820068827 599646123 /nfs/dbraw/zinc/64/61/23/599646123.db2.gz UJJWZBUYJBIUHU-JLTOFOAXSA-N 1 0 397.483 1.959 20 0 GDADRO C[C@H]1C[C@H](NC(=O)NCCSCc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820657744 599666034 /nfs/dbraw/zinc/66/60/34/599666034.db2.gz MTEPKGQCAFVRGV-DZGCQCFKSA-N 1 0 389.529 1.882 20 0 GDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820711450 599672579 /nfs/dbraw/zinc/67/25/79/599672579.db2.gz ZJOVCHFLIFVTOX-QWHCGFSZSA-N 1 0 375.452 1.925 20 0 GDADRO CCC[NH+]1CCC(CNC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821109908 599673524 /nfs/dbraw/zinc/67/35/24/599673524.db2.gz RYCLNBMLQYRVNY-UHFFFAOYSA-N 1 0 387.488 1.667 20 0 GDADRO C[C@H]1C[C@@H](NC(=O)N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)CC[N@@H+]1C ZINC000820658644 599675994 /nfs/dbraw/zinc/67/59/94/599675994.db2.gz ULJPCWWOSHGSIT-HOTGVXAUSA-N 1 0 398.515 1.571 20 0 GDADRO CC(C)[NH+](CCCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)C(C)C ZINC000820116339 599694377 /nfs/dbraw/zinc/69/43/77/599694377.db2.gz HUDXXXAMJDGYCU-UHFFFAOYSA-N 1 0 384.481 1.793 20 0 GDADRO CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)S(=O)(=O)c1cccs1 ZINC000821602577 607390522 /nfs/dbraw/zinc/39/05/22/607390522.db2.gz JCTWMKQLQNURFE-UHFFFAOYSA-N 1 0 384.512 1.400 20 0 GDADRO O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000739800314 600395334 /nfs/dbraw/zinc/39/53/34/600395334.db2.gz CPQFKJKUXQOEBE-GOSISDBHSA-N 1 0 387.484 1.205 20 0 GDADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000819877420 607448951 /nfs/dbraw/zinc/44/89/51/607448951.db2.gz VSFRJZVNDSVJSF-NEPJUHHUSA-N 1 0 387.513 1.524 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)[C@H](C)C1 ZINC000825453146 607465899 /nfs/dbraw/zinc/46/58/99/607465899.db2.gz SNXNVEKAFMMGCZ-BXUZGUMPSA-N 1 0 375.477 1.677 20 0 GDADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000824763047 607470559 /nfs/dbraw/zinc/47/05/59/607470559.db2.gz JTAIGQILUMTJQO-KBPBESRZSA-N 1 0 390.455 1.576 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000826175151 607470817 /nfs/dbraw/zinc/47/08/17/607470817.db2.gz VGBXLNNVRYIBRA-INIZCTEOSA-N 1 0 396.451 1.673 20 0 GDADRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)CC1 ZINC000824296516 607472065 /nfs/dbraw/zinc/47/20/65/607472065.db2.gz IIJIMOBUBFKILC-UHFFFAOYSA-N 1 0 387.507 1.996 20 0 GDADRO O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410420 607478595 /nfs/dbraw/zinc/47/85/95/607478595.db2.gz MPGKNDAGYUOGMJ-PKOBYXMFSA-N 1 0 395.511 1.432 20 0 GDADRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000824315740 607483681 /nfs/dbraw/zinc/48/36/81/607483681.db2.gz WRVQAZDQZLGMQR-UHFFFAOYSA-N 1 0 387.488 1.405 20 0 GDADRO O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cc2)CC1 ZINC000833249987 601043889 /nfs/dbraw/zinc/04/38/89/601043889.db2.gz ZZUZMSWCXMWOPW-LJQANCHMSA-N 1 0 399.495 1.371 20 0 GDADRO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825210642 607495785 /nfs/dbraw/zinc/49/57/85/607495785.db2.gz ISPKWLSIOWCWKF-QGZVFWFLSA-N 1 0 396.499 1.668 20 0 GDADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cc3)nc2)C1 ZINC000821583510 607506342 /nfs/dbraw/zinc/50/63/42/607506342.db2.gz YBNIMSBDXYVBSP-INIZCTEOSA-N 1 0 378.440 1.654 20 0 GDADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3sccc3-c3nn[nH]n3)nc2)C1 ZINC000821583227 607506591 /nfs/dbraw/zinc/50/65/91/607506591.db2.gz NCOPLLYSBQOEFR-LBPRGKRZSA-N 1 0 384.469 1.716 20 0 GDADRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)cc1-c1nn[nH]n1 ZINC000826194143 607509053 /nfs/dbraw/zinc/50/90/53/607509053.db2.gz CCNZQOBJYGLWSD-LBPRGKRZSA-N 1 0 382.428 1.077 20 0 GDADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826452082 607518292 /nfs/dbraw/zinc/51/82/92/607518292.db2.gz HIVWZROEWOBQBR-PBHICJAKSA-N 1 0 395.467 1.281 20 0 GDADRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000825914758 607525287 /nfs/dbraw/zinc/52/52/87/607525287.db2.gz MXYRRZHQZDCBQG-ZDUSSCGKSA-N 1 0 386.485 2.000 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)C[C@H]1C ZINC000825452522 607548480 /nfs/dbraw/zinc/54/84/80/607548480.db2.gz PTZHWFWZOWXOAJ-ZIAGYGMSSA-N 1 0 378.502 1.668 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825194623 607565794 /nfs/dbraw/zinc/56/57/94/607565794.db2.gz RNSYQFQZDWRAFU-OAHLLOKOSA-N 1 0 387.488 1.939 20 0 GDADRO CC(C)(CO)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000824162926 607570507 /nfs/dbraw/zinc/57/05/07/607570507.db2.gz UTHNZNUMIBAGDX-YOEHRIQHSA-N 1 0 396.499 1.497 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000824946492 607588544 /nfs/dbraw/zinc/58/85/44/607588544.db2.gz JPXCFHNZSQFLFS-VXGBXAGGSA-N 1 0 398.920 1.919 20 0 GDADRO C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](C)C1 ZINC000824948392 607588898 /nfs/dbraw/zinc/58/88/98/607588898.db2.gz USNZKLJCJBHBFE-NWDGAFQWSA-N 1 0 382.465 1.405 20 0 GDADRO Cc1cccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826302702 607588991 /nfs/dbraw/zinc/58/89/91/607588991.db2.gz QOQTUPOEVBWKFU-GXTWGEPZSA-N 1 0 378.502 1.574 20 0 GDADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000824937549 607595487 /nfs/dbraw/zinc/59/54/87/607595487.db2.gz PWCGIMJRIFUGID-LBPRGKRZSA-N 1 0 396.492 1.795 20 0 GDADRO Cc1cccc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000826303270 607612354 /nfs/dbraw/zinc/61/23/54/607612354.db2.gz HTGXCHGSSQWIJS-KBPBESRZSA-N 1 0 378.502 1.716 20 0 GDADRO CC[NH+](CC)CCSCC(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825417421 607626985 /nfs/dbraw/zinc/62/69/85/607626985.db2.gz ROHNOSPUJAJWJY-UHFFFAOYSA-N 1 0 378.502 1.567 20 0 GDADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000826182683 607635455 /nfs/dbraw/zinc/63/54/55/607635455.db2.gz QURHTTCMQGZUGK-GFCCVEGCSA-N 1 0 382.428 1.077 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)C1 ZINC000825902622 607659579 /nfs/dbraw/zinc/65/95/79/607659579.db2.gz XSJRFBQKMUJPDH-AWEZNQCLSA-N 1 0 376.486 1.219 20 0 GDADRO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000824893275 607667294 /nfs/dbraw/zinc/66/72/94/607667294.db2.gz PVDNLRDELSRNPQ-UWVGGRQHSA-N 1 0 382.877 1.424 20 0 GDADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000824893217 607667529 /nfs/dbraw/zinc/66/75/29/607667529.db2.gz PQQMUWVDAFDJLH-KOLCDFICSA-N 1 0 382.877 1.424 20 0 GDADRO Cc1cccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c1-c1nn[nH]n1 ZINC000826300854 607670552 /nfs/dbraw/zinc/67/05/52/607670552.db2.gz ISWDDFCEWUAWJG-UHFFFAOYSA-N 1 0 378.502 1.670 20 0 GDADRO CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000529381701 649942094 /nfs/dbraw/zinc/94/20/94/649942094.db2.gz YAVYBNZIJWUQRZ-JSGCOSHPSA-N 1 0 384.274 1.903 20 0 GDADRO O=C(NCc1ccc(Br)c(F)c1F)N1CCOC2(C[NH2+]C2)C1 ZINC000529370555 649941665 /nfs/dbraw/zinc/94/16/65/649941665.db2.gz QFDJMIIYQMJWJJ-UHFFFAOYSA-N 1 0 376.201 1.611 20 0 GDADRO CN1CCN(C(=O)NCc2ccc(Br)c(F)c2F)[C@H](C[NH3+])C1 ZINC000529368991 649941786 /nfs/dbraw/zinc/94/17/86/649941786.db2.gz FPZGLCRSMHLFCK-SNVBAGLBSA-N 1 0 377.233 1.512 20 0 GDADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000529427225 649944898 /nfs/dbraw/zinc/94/48/98/649944898.db2.gz PHQDXJJQVHSKIU-YGRLFVJLSA-N 1 0 377.869 1.308 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000529513496 649947612 /nfs/dbraw/zinc/94/76/12/649947612.db2.gz RXWCSGRZQSBGQB-CVEARBPZSA-N 1 0 385.917 1.455 20 0 GDADRO CC[NH+]1CCC(Nc2ncnc(NC3CC[NH+](CC)CC3)c2C(=O)[O-])CC1 ZINC000829760856 605013871 /nfs/dbraw/zinc/01/38/71/605013871.db2.gz XPTIEELYJVSUBT-UHFFFAOYSA-N 1 0 376.505 1.967 20 0 GDADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000823249858 606019039 /nfs/dbraw/zinc/01/90/39/606019039.db2.gz MSJSRVQEHYVZBO-HXUWFJFHSA-N 1 0 396.426 1.259 20 0 GDADRO O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823210834 606057777 /nfs/dbraw/zinc/05/77/77/606057777.db2.gz GVUIGILWKPGYJY-HNNXBMFYSA-N 1 0 385.472 1.373 20 0 GDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821596369 606057801 /nfs/dbraw/zinc/05/78/01/606057801.db2.gz IFKISPSHWILNOH-AWEZNQCLSA-N 1 0 387.463 1.879 20 0 GDADRO CC[NH+]1CCC(N(C)CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000821253960 606107521 /nfs/dbraw/zinc/10/75/21/606107521.db2.gz JSRPPARLWBMHCJ-UHFFFAOYSA-N 1 0 377.518 1.900 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000821267748 606115722 /nfs/dbraw/zinc/11/57/22/606115722.db2.gz QENYWWXUUGGDJY-ZDUSSCGKSA-N 1 0 377.518 1.900 20 0 GDADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)C1 ZINC000820702816 606154808 /nfs/dbraw/zinc/15/48/08/606154808.db2.gz AIGKYMUOBFPHIM-UONOGXRCSA-N 1 0 387.492 1.719 20 0 GDADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821586270 606175800 /nfs/dbraw/zinc/17/58/00/606175800.db2.gz QQAVLHJJPZNDKL-UHFFFAOYSA-N 1 0 392.529 1.893 20 0 GDADRO C[C@@H]1C[C@@H](N(C)CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000820656131 606188594 /nfs/dbraw/zinc/18/85/94/606188594.db2.gz DDSCCKKGKPQMOK-HIFRSBDPSA-N 1 0 378.502 1.055 20 0 GDADRO O=S(=O)(CC[NH2+]CCn1cnc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561702 606188829 /nfs/dbraw/zinc/18/88/29/606188829.db2.gz JUAXBKJLFIGVIK-UHFFFAOYSA-N 1 0 397.464 1.280 20 0 GDADRO Cc1cc(NC(=O)Cc2cccc(-c3nn[nH]n3)c2)n(C2CC[NH+](C)CC2)n1 ZINC000822208582 606191431 /nfs/dbraw/zinc/19/14/31/606191431.db2.gz YQBAGZZOFHEUBD-UHFFFAOYSA-N 1 0 380.456 1.820 20 0 GDADRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000821936909 606217201 /nfs/dbraw/zinc/21/72/01/606217201.db2.gz HSPCGKXXIHEALH-UHFFFAOYSA-N 1 0 379.467 1.500 20 0 GDADRO CN(c1ccc(NC(=O)c2cc(-c3nn[nH]n3)cn2C)cc1)C1CC[NH+](C)CC1 ZINC000821622030 606232555 /nfs/dbraw/zinc/23/25/55/606232555.db2.gz PJAYKLHBKLALKY-UHFFFAOYSA-N 1 0 394.483 1.988 20 0 GDADRO CC[C@@H](C)C[N@H+](CC)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000820870592 606239565 /nfs/dbraw/zinc/23/95/65/606239565.db2.gz VPKKFMQDEVZLDL-YJYMSZOUSA-N 1 0 385.472 1.959 20 0 GDADRO COc1cccc(C[NH+]2CCC(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)c1 ZINC000821869043 606259372 /nfs/dbraw/zinc/25/93/72/606259372.db2.gz ZGDTUTSLLPWSST-UHFFFAOYSA-N 1 0 381.440 1.598 20 0 GDADRO CN(C(=O)c1cc(-c2nn[nH]n2)cn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821573210 606260432 /nfs/dbraw/zinc/26/04/32/606260432.db2.gz GATJCSIYWQLMHK-QGZVFWFLSA-N 1 0 379.468 1.942 20 0 GDADRO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821000949 606331889 /nfs/dbraw/zinc/33/18/89/606331889.db2.gz MPUGSCIOXORDGN-KZNAEPCWSA-N 1 0 386.500 1.555 20 0 GDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820982034 606401352 /nfs/dbraw/zinc/40/13/52/606401352.db2.gz ZIQZNEFJXDNRKO-ZDUSSCGKSA-N 1 0 389.435 1.325 20 0 GDADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821239342 606403040 /nfs/dbraw/zinc/40/30/40/606403040.db2.gz AVGTUQADBKXKRS-UHFFFAOYSA-N 1 0 389.435 1.183 20 0 GDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000821182224 606404235 /nfs/dbraw/zinc/40/42/35/606404235.db2.gz SMFMGNPHNXWVFX-GFCCVEGCSA-N 1 0 389.435 1.135 20 0 GDADRO O=S(=O)(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NCc1ccccc1 ZINC000823562083 606413246 /nfs/dbraw/zinc/41/32/46/606413246.db2.gz NXGCLAQFMWVYRY-UHFFFAOYSA-N 1 0 378.483 1.137 20 0 GDADRO O[C@H](CNc1c(F)cc(-c2nn[nH]n2)cc1F)C[N@@H+]1CCc2ccccc2C1 ZINC000823689139 606450604 /nfs/dbraw/zinc/45/06/04/606450604.db2.gz BDSDMYUPZJOFHZ-OAHLLOKOSA-N 1 0 386.406 1.976 20 0 GDADRO CN(c1ccc(Cl)c(-c2nn[nH]n2)n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000821622197 606466740 /nfs/dbraw/zinc/46/67/40/606466740.db2.gz VUOHAQPGAVYOSI-ZDUSSCGKSA-N 1 0 376.896 1.520 20 0 GDADRO O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000823697473 606490102 /nfs/dbraw/zinc/49/01/02/606490102.db2.gz LREYPKSFUMFBTL-CABCVRRESA-N 1 0 394.426 1.499 20 0 GDADRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@@H](CC)CN1C(C)=O ZINC000820995401 606509068 /nfs/dbraw/zinc/50/90/68/606509068.db2.gz QUXYZUMBQFTZSJ-ROUUACIJSA-N 1 0 399.499 1.917 20 0 GDADRO COC1CC[NH+](C2(CNC(=O)Cc3cccc(-c4nn[nH]n4)c3)CCCC2)CC1 ZINC000821679561 606555000 /nfs/dbraw/zinc/55/50/00/606555000.db2.gz CHBZSGUALPTJHB-UHFFFAOYSA-N 1 0 398.511 1.949 20 0 GDADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)s1 ZINC000823170831 606580073 /nfs/dbraw/zinc/58/00/73/606580073.db2.gz 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C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820649930 606636261 /nfs/dbraw/zinc/63/62/61/606636261.db2.gz PDENHSWDPQIXEA-ZNMIVQPWSA-N 1 0 392.529 1.653 20 0 GDADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000820519487 606692519 /nfs/dbraw/zinc/69/25/19/606692519.db2.gz VFJQLHVDVPLHLG-AWEZNQCLSA-N 1 0 384.440 1.817 20 0 GDADRO CC[N@H+](C[C@H](O)COC1CCOCC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821170261 606704124 /nfs/dbraw/zinc/70/41/24/606704124.db2.gz OTCWMSJIDGFYPL-PBHICJAKSA-N 1 0 375.473 1.806 20 0 GDADRO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822205978 606727678 /nfs/dbraw/zinc/72/76/78/606727678.db2.gz PIDUDINBVHCXTK-JKSUJKDBSA-N 1 0 390.451 1.495 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl)[N@H+](C)C1CC1 ZINC000820260512 606739040 /nfs/dbraw/zinc/73/90/40/606739040.db2.gz HTDPMPQQLIBZPJ-VIFPVBQESA-N 1 0 377.836 1.058 20 0 GDADRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)CC1 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608020227 /nfs/dbraw/zinc/02/02/27/608020227.db2.gz JWDBDZTUMPPABD-UHFFFAOYSA-N 1 0 389.489 1.712 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCOc3ccccc32)c1-c1nn[nH]n1 ZINC000826077709 608020443 /nfs/dbraw/zinc/02/04/43/608020443.db2.gz RHGXFMJIDWUTNS-GFCCVEGCSA-N 1 0 382.428 1.247 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(C)cc2Cl)c1-c1nn[nH]n1 ZINC000826077367 608020628 /nfs/dbraw/zinc/02/06/28/608020628.db2.gz FYDYHEBCKCNMJY-UHFFFAOYSA-N 1 0 388.863 1.885 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cncc(OC(C)C)c2)c1-c1nn[nH]n1 ZINC000826083972 608021598 /nfs/dbraw/zinc/02/15/98/608021598.db2.gz SOWMFGBURSSDRT-UHFFFAOYSA-N 1 0 385.432 1.176 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(C(F)F)c2)c1-c1nn[nH]n1 ZINC000826084041 608021646 /nfs/dbraw/zinc/02/16/46/608021646.db2.gz UJKWPACRTMXTMD-UHFFFAOYSA-N 1 0 376.371 1.932 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(NC3CC3)n2)c1-c1nn[nH]n1 ZINC000826084104 608022919 /nfs/dbraw/zinc/02/29/19/608022919.db2.gz VJJUVTJOXUJTFK-UHFFFAOYSA-N 1 0 388.461 1.025 20 0 GDADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cccc(OC(F)F)c1 ZINC000825933278 608035737 /nfs/dbraw/zinc/03/57/37/608035737.db2.gz AKTLYDGSYFOBTI-UHFFFAOYSA-N 1 0 378.387 1.838 20 0 GDADRO CCCC[N@H+](C)CCNC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825281402 608063592 /nfs/dbraw/zinc/06/35/92/608063592.db2.gz DBMXLYNSQUEIDH-KRWDZBQOSA-N 1 0 387.488 1.682 20 0 GDADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826431298 608063734 /nfs/dbraw/zinc/06/37/34/608063734.db2.gz XLJDAKNWBOOZFA-NVXWUHKLSA-N 1 0 383.456 1.186 20 0 GDADRO O=C1CN(C[N@@H+]2CC[C@@H](C3CC3)C2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826481466 608110520 /nfs/dbraw/zinc/11/05/20/608110520.db2.gz VTCZKAFDMJBMLW-MRXNPFEDSA-N 1 0 381.440 1.320 20 0 GDADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2c(F)cccc2F)c1-c1nn[nH]n1 ZINC000826073076 608114027 /nfs/dbraw/zinc/11/40/27/608114027.db2.gz CWTODZZGKLUYCX-VIFPVBQESA-N 1 0 390.398 1.762 20 0 GDADRO CC1([C@@H]2CCC[N@H+](CCC(=O)Nc3sccc3-c3nn[nH]n3)C2)OCCO1 ZINC000824817199 608131454 /nfs/dbraw/zinc/13/14/54/608131454.db2.gz MCKOQNMQJIIURE-GFCCVEGCSA-N 1 0 392.485 1.732 20 0 GDADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000826277376 608146411 /nfs/dbraw/zinc/14/64/11/608146411.db2.gz RZCXCKXSMHJSRU-CQSZACIVSA-N 1 0 385.472 1.494 20 0 GDADRO C[C@H]1CN(c2snc(Cl)c2-c2nn[nH]n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000825000743 608151009 /nfs/dbraw/zinc/15/10/09/608151009.db2.gz UFXBFBCLFBIZRA-WDEREUQCSA-N 1 0 382.925 1.439 20 0 GDADRO C[C@H]1CN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824991525 608151229 /nfs/dbraw/zinc/15/12/29/608151229.db2.gz BVUFMDMIKYXMDX-HNAYVOBHSA-N 1 0 392.511 1.877 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000826175387 608169788 /nfs/dbraw/zinc/16/97/88/608169788.db2.gz CKXVCELYVZBRAD-LSDHHAIUSA-N 1 0 386.456 1.245 20 0 GDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2snc(Cl)c2-c2nn[nH]n2)CC1 ZINC000824907802 608179724 /nfs/dbraw/zinc/17/97/24/608179724.db2.gz KUBISQAQFKGGQZ-RYUDHWBXSA-N 1 0 396.952 1.971 20 0 GDADRO Nc1nc(-n2cccn2)cc(NCCSCc2ccccc2-c2nn[nH]n2)[nH+]1 ZINC000826396165 608222634 /nfs/dbraw/zinc/22/26/34/608222634.db2.gz KKDFREWNOFZCNU-UHFFFAOYSA-N 1 0 394.468 1.770 20 0 GDADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826022639 608223585 /nfs/dbraw/zinc/22/35/85/608223585.db2.gz QCHOKIOBGZOLMI-UHFFFAOYSA-N 1 0 396.455 1.390 20 0 GDADRO Nc1nc(-n2cccn2)cc(N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)[nH+]1 ZINC000826396101 608234771 /nfs/dbraw/zinc/23/47/71/608234771.db2.gz HEXVHLTYFAAQTR-CQSZACIVSA-N 1 0 390.411 1.003 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)CC1CCC1 ZINC000825865602 608246451 /nfs/dbraw/zinc/24/64/51/608246451.db2.gz HROINIGJYSEIML-UHFFFAOYSA-N 1 0 378.502 1.360 20 0 GDADRO Cc1sc(NC(=O)C[NH2+][C@@]2(CO)CCc3ccccc32)c(-c2nn[nH]n2)c1C ZINC000826349372 608254007 /nfs/dbraw/zinc/25/40/07/608254007.db2.gz FWRLSBRAPIYLMR-LJQANCHMSA-N 1 0 398.492 1.907 20 0 GDADRO CNC(=O)C1CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000826059886 608308351 /nfs/dbraw/zinc/30/83/51/608308351.db2.gz BUFUKJNIGAOVSS-UHFFFAOYSA-N 1 0 380.456 1.319 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1 ZINC000825451923 608334600 /nfs/dbraw/zinc/33/46/00/608334600.db2.gz LXTBFSDEPBYQHW-LRDDRELGSA-N 1 0 396.492 1.498 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)[C@H](C)C1 ZINC000825451927 608334785 /nfs/dbraw/zinc/33/47/85/608334785.db2.gz LXTBFSDEPBYQHW-WBMJQRKESA-N 1 0 396.492 1.498 20 0 GDADRO CC[C@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000825203700 608338329 /nfs/dbraw/zinc/33/83/29/608338329.db2.gz OJRFLMMWHIPCHZ-YPMHNXCESA-N 1 0 393.879 1.829 20 0 GDADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000826168920 608375874 /nfs/dbraw/zinc/37/58/74/608375874.db2.gz CFAMDLDENXXPGX-IRXDYDNUSA-N 1 0 383.456 1.697 20 0 GDADRO O[C@H](C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)c1ccc(Cl)cc1 ZINC000826510787 608387999 /nfs/dbraw/zinc/38/79/99/608387999.db2.gz KNBRPLLYPVFXJH-MRXNPFEDSA-N 1 0 385.859 1.771 20 0 GDADRO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000826495014 608419570 /nfs/dbraw/zinc/41/95/70/608419570.db2.gz ZLCNVZALWJQLAW-AWEZNQCLSA-N 1 0 397.464 1.435 20 0 GDADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(S(C)(=O)=O)cc1 ZINC000824598020 608430044 /nfs/dbraw/zinc/43/00/44/608430044.db2.gz ABJPQGCLWKKICR-ZDUSSCGKSA-N 1 0 387.465 2.000 20 0 GDADRO CC[C@@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccccc1OCC(=O)NC ZINC000825149495 608457936 /nfs/dbraw/zinc/45/79/36/608457936.db2.gz YVFBYTVHGYAVPS-OAHLLOKOSA-N 1 0 381.440 1.627 20 0 GDADRO COCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826164911 608465643 /nfs/dbraw/zinc/46/56/43/608465643.db2.gz WTZBKZUEYAJGOW-AWEZNQCLSA-N 1 0 380.452 1.980 20 0 GDADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824478898 608466226 /nfs/dbraw/zinc/46/62/26/608466226.db2.gz JSJKKUIGVBRSKQ-KGLIPLIRSA-N 1 0 385.472 1.035 20 0 GDADRO C[C@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563808 608466619 /nfs/dbraw/zinc/46/66/19/608466619.db2.gz QGVWDIJNBRNTGS-HNNXBMFYSA-N 1 0 399.499 1.426 20 0 GDADRO C[C@@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555263 608468648 /nfs/dbraw/zinc/46/86/48/608468648.db2.gz WEOGKAXPIRBLFH-CYBMUJFWSA-N 1 0 386.456 1.319 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826188523 608472798 /nfs/dbraw/zinc/47/27/98/608472798.db2.gz ZHHLDMUABNJHHB-CZUORRHYSA-N 1 0 399.451 1.974 20 0 GDADRO C[C@H]([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)c1cccc(-c2nn[nH]n2)c1 ZINC000824565147 608482015 /nfs/dbraw/zinc/48/20/15/608482015.db2.gz ZYELXLDQRYBOKZ-SUMWQHHRSA-N 1 0 378.436 1.637 20 0 GDADRO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553534 608482059 /nfs/dbraw/zinc/48/20/59/608482059.db2.gz CFYLXXSZVKWOFZ-OAHLLOKOSA-N 1 0 395.467 1.455 20 0 GDADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000824565100 608494415 /nfs/dbraw/zinc/49/44/15/608494415.db2.gz ZCPDOZLOPOLIDE-GFCCVEGCSA-N 1 0 391.435 1.675 20 0 GDADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000530438874 649975757 /nfs/dbraw/zinc/97/57/57/649975757.db2.gz AVIGLBUEFUXVQQ-OWCLPIDISA-N 1 0 375.535 1.216 20 0 GDADRO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826394737 608499339 /nfs/dbraw/zinc/49/93/39/608499339.db2.gz WYPXWYLORRQVMW-GOSISDBHSA-N 1 0 398.492 1.724 20 0 GDADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@H]1CCOC1 ZINC000530441234 649976281 /nfs/dbraw/zinc/97/62/81/649976281.db2.gz CIAXYXZCTDBYEL-WMLDXEAASA-N 1 0 385.302 1.773 20 0 GDADRO COc1ccccc1CCNC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826219994 608531926 /nfs/dbraw/zinc/53/19/26/608531926.db2.gz YIEHVIKBGCHBKF-UHFFFAOYSA-N 1 0 392.463 1.813 20 0 GDADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccn(C(F)F)n1 ZINC000825865403 608582324 /nfs/dbraw/zinc/58/23/24/608582324.db2.gz CRIGRSQDHJFPQR-UHFFFAOYSA-N 1 0 390.398 1.662 20 0 GDADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(c2cccnc2)CC1 ZINC000826503599 608583728 /nfs/dbraw/zinc/58/37/28/608583728.db2.gz AWDSKUGJFNCJKK-SFHVURJKSA-N 1 0 380.452 1.881 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)[NH+]1CCCC1 ZINC000530517247 649977588 /nfs/dbraw/zinc/97/75/88/649977588.db2.gz PWJSJBSMYQTEFG-LLVKDONJSA-N 1 0 387.889 1.283 20 0 GDADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3cnccc3-c3nn[nH]n3)c2)C1 ZINC000826389770 608782584 /nfs/dbraw/zinc/78/25/84/608782584.db2.gz ICMHCUXGQPCSEE-INIZCTEOSA-N 1 0 392.467 1.571 20 0 GDADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000825001255 608834151 /nfs/dbraw/zinc/83/41/51/608834151.db2.gz XZBWMUHHBXTWEO-CABCVRRESA-N 1 0 392.467 1.734 20 0 GDADRO COCc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000826164752 608836305 /nfs/dbraw/zinc/83/63/05/608836305.db2.gz OLSPMZNYVIUIQG-AWEZNQCLSA-N 1 0 380.456 1.514 20 0 GDADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)n(C)n1 ZINC000826269233 609152486 /nfs/dbraw/zinc/15/24/86/609152486.db2.gz FTTFFXJMYMNNSE-XHDPSFHLSA-N 1 0 384.419 1.504 20 0 GDADRO C[NH+](C)[C@H](CNC(=O)NCCS(=O)(=O)NC1CC1)c1ccc(Cl)cc1 ZINC000530602579 649979657 /nfs/dbraw/zinc/97/96/57/649979657.db2.gz POZAPTQOKYYYIO-OAHLLOKOSA-N 1 0 388.921 1.324 20 0 GDADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)C[C@H](C)O1 ZINC000824984810 609194576 /nfs/dbraw/zinc/19/45/76/609194576.db2.gz NYEZPTFCEQOZHJ-OKILXGFUSA-N 1 0 395.467 1.734 20 0 GDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826430162 609196552 /nfs/dbraw/zinc/19/65/52/609196552.db2.gz VRQCGLHOOYPCQV-RTBURBONSA-N 1 0 392.463 1.681 20 0 GDADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824874886 609210362 /nfs/dbraw/zinc/21/03/62/609210362.db2.gz HHLCNBNZILSUBP-CKEIUWERSA-N 1 0 386.500 1.773 20 0 GDADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825213533 609238711 /nfs/dbraw/zinc/23/87/11/609238711.db2.gz ZUPRGQLZZVOSEZ-HSMVNMDESA-N 1 0 396.492 1.717 20 0 GDADRO C[C@H](NC(=O)CNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824480483 609318029 /nfs/dbraw/zinc/31/80/29/609318029.db2.gz WQBNIZJJNINLQL-DZGCQCFKSA-N 1 0 384.488 1.443 20 0 GDADRO Cn1cc(C[NH2+]CCCOC[C@@H]2CCCO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361751 609336013 /nfs/dbraw/zinc/33/60/13/609336013.db2.gz NBFBDUSKXDWHLM-SFHVURJKSA-N 1 0 397.483 1.943 20 0 GDADRO Cn1cc(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360913 609340282 /nfs/dbraw/zinc/34/02/82/609340282.db2.gz CPJLWBVPWKMELK-GOEBONIOSA-N 1 0 380.456 1.401 20 0 GDADRO Cn1cc(C[NH2+]CCOC[C@@H]2CCCO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361996 609340736 /nfs/dbraw/zinc/34/07/36/609340736.db2.gz ZAGIKAGCBLDVKJ-KRWDZBQOSA-N 1 0 383.456 1.552 20 0 GDADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578070 609347292 /nfs/dbraw/zinc/34/72/92/609347292.db2.gz QBJRHXYSCJFSDD-NMOXLHADSA-N 1 0 387.419 1.377 20 0 GDADRO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C1 ZINC000825856086 609356717 /nfs/dbraw/zinc/35/67/17/609356717.db2.gz NIPBZUBLUPIYGS-NSHDSACASA-N 1 0 385.407 1.359 20 0 GDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826442830 609376926 /nfs/dbraw/zinc/37/69/26/609376926.db2.gz MKLJVSRWTKOWNF-SFHVURJKSA-N 1 0 393.451 1.755 20 0 GDADRO Cc1nnc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(-c2nn[nH]n2)c1C ZINC000826336902 609385860 /nfs/dbraw/zinc/38/58/60/609385860.db2.gz TVZAQYWTEGXTPJ-KRWDZBQOSA-N 1 0 394.483 1.842 20 0 GDADRO COc1cccc([C@@H](CO)[NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)c1 ZINC000826214590 609426948 /nfs/dbraw/zinc/42/69/48/609426948.db2.gz QODUJSPKNAKADV-CQSZACIVSA-N 1 0 388.453 1.589 20 0 GDADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826488734 609539205 /nfs/dbraw/zinc/53/92/05/609539205.db2.gz XWXCDPMHBHGDPV-CHWSQXEVSA-N 1 0 382.877 1.425 20 0 GDADRO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)[C@@H](C)C1 ZINC000824974767 609551195 /nfs/dbraw/zinc/55/11/95/609551195.db2.gz FRJDJEDFUQUYGN-GWCFXTLKSA-N 1 0 384.893 1.527 20 0 GDADRO Cc1c(Cl)cnc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1-c1nn[nH]n1 ZINC000826239027 609551338 /nfs/dbraw/zinc/55/13/38/609551338.db2.gz WJCYRMACDNJYII-GFCCVEGCSA-N 1 0 376.896 1.804 20 0 GDADRO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257124 609589661 /nfs/dbraw/zinc/58/96/61/609589661.db2.gz OQPVKXXNJSVEIV-MRXNPFEDSA-N 1 0 380.456 1.527 20 0 GDADRO O=C1[C@H]([NH2+]Cc2cnc3cnccn23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477148 609600901 /nfs/dbraw/zinc/60/09/01/609600901.db2.gz WNLWPPKSCIPWGB-MRXNPFEDSA-N 1 0 389.423 1.195 20 0 GDADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)C2CCOCC2)ccc1Cl ZINC000532988803 650039234 /nfs/dbraw/zinc/03/92/34/650039234.db2.gz IMHIRPGKYDTQKT-UHFFFAOYSA-N 1 0 389.905 1.640 20 0 GDADRO CN(CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccs1 ZINC000533399388 650051026 /nfs/dbraw/zinc/05/10/26/650051026.db2.gz HNPITZUBFZPYJQ-AWEZNQCLSA-N 1 0 386.543 1.247 20 0 GDADRO Cc1nn2cc(S(=O)(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cnc2c1Cl ZINC000535753167 650255492 /nfs/dbraw/zinc/25/54/92/650255492.db2.gz TVXXTWLWDQINFY-GXTWGEPZSA-N 1 0 383.905 1.796 20 0 GDADRO Cc1ccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)c(Br)c1 ZINC000536177452 650266617 /nfs/dbraw/zinc/26/66/17/650266617.db2.gz ZOPQERJDQLKYMO-UHFFFAOYSA-N 1 0 398.345 1.877 20 0 GDADRO CSCC[C@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000536847550 650281911 /nfs/dbraw/zinc/28/19/11/650281911.db2.gz TZZAHWFLMNMHPJ-GDBMZVCRSA-N 1 0 388.555 1.472 20 0 GDADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000537964496 650302434 /nfs/dbraw/zinc/30/24/34/650302434.db2.gz SMFSSHTTXRHJFL-DZGCQCFKSA-N 1 0 388.917 1.480 20 0 GDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000538064113 650304770 /nfs/dbraw/zinc/30/47/70/650304770.db2.gz MXLHDOPNGGQYPA-CVEARBPZSA-N 1 0 375.535 1.096 20 0 GDADRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(-n2cncn2)cc1Cl ZINC000539041523 650327494 /nfs/dbraw/zinc/32/74/94/650327494.db2.gz WOFVFSSWPLHLTN-TZMCWYRMSA-N 1 0 383.905 1.995 20 0 GDADRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C[C@@H](C)O1 ZINC000539067488 650327572 /nfs/dbraw/zinc/32/75/72/650327572.db2.gz PHCFYRIMMKPEHJ-VXGBXAGGSA-N 1 0 389.905 1.217 20 0 GDADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@H](CO)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000539316863 650332656 /nfs/dbraw/zinc/33/26/56/650332656.db2.gz BHWMWATUHHUTHI-ZIAGYGMSSA-N 1 0 381.416 1.903 20 0 GDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000540012217 650346397 /nfs/dbraw/zinc/34/63/97/650346397.db2.gz KACAWQLLYZAKJO-GHMZBOCLSA-N 1 0 379.935 1.573 20 0 GDADRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)CCO2)cc1Br ZINC000540163099 650350296 /nfs/dbraw/zinc/35/02/96/650350296.db2.gz DERUBLLQKBRFRI-PWSUYJOCSA-N 1 0 378.288 1.922 20 0 GDADRO CS[C@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@@H]1N(C)C ZINC000540591715 650364214 /nfs/dbraw/zinc/36/42/14/650364214.db2.gz KSPLKRYNTGFJEC-GJZGRUSLSA-N 1 0 384.933 1.745 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C[C@H]1[NH+](C)C ZINC000541310002 650381393 /nfs/dbraw/zinc/38/13/93/650381393.db2.gz KJSIJDKQVGJRHQ-KGLIPLIRSA-N 1 0 380.482 1.997 20 0 GDADRO Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CS(=O)(=O)CCO3)cnc12 ZINC000541379663 650383232 /nfs/dbraw/zinc/38/32/32/650383232.db2.gz AMRPZUPHBCHWHA-ZDUSSCGKSA-N 1 0 388.287 1.308 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cc(C)ccc1Cl ZINC000541586205 650387168 /nfs/dbraw/zinc/38/71/68/650387168.db2.gz VPKOVVYPQOGUCH-KBPBESRZSA-N 1 0 376.906 1.402 20 0 GDADRO C[C@H]1[C@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000916160789 660187594 /nfs/dbraw/zinc/18/75/94/660187594.db2.gz FYWBGIHXGSLDAA-SWLSCSKDSA-N 1 0 397.317 1.961 20 0 GDADRO CS[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C[C@@H]1[NH+]1CCCC1 ZINC000541842469 650393754 /nfs/dbraw/zinc/39/37/54/650393754.db2.gz FVPOKFJAKVSHAV-FRRDWIJNSA-N 1 0 379.448 1.435 20 0 GDADRO CC[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccc(Cl)s1 ZINC000542558139 650407713 /nfs/dbraw/zinc/40/77/13/650407713.db2.gz DBAJVZJCHDHNMS-ZDUSSCGKSA-N 1 0 386.949 1.675 20 0 GDADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)Cc2ccc(F)cc2F)CC1 ZINC000542797085 650412997 /nfs/dbraw/zinc/41/29/97/650412997.db2.gz CKTAJECARBDSML-CQSZACIVSA-N 1 0 375.485 1.658 20 0 GDADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000544072499 650433994 /nfs/dbraw/zinc/43/39/94/650433994.db2.gz XMFGMNDVLMMASL-ZDUSSCGKSA-N 1 0 377.304 1.753 20 0 GDADRO CCC[N@H+](CC)CCNC(=O)Nc1ccncc1I ZINC000544792934 650445736 /nfs/dbraw/zinc/44/57/36/650445736.db2.gz MNJXSZZMPTVVCS-UHFFFAOYSA-N 1 0 376.242 1.962 20 0 GDADRO C[NH+](C)CC1(NS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CCC1 ZINC000544864483 650447235 /nfs/dbraw/zinc/44/72/35/650447235.db2.gz FZUFBRANCINVPP-UHFFFAOYSA-N 1 0 385.917 1.568 20 0 GDADRO CCc1ncc(S(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000546598469 650480496 /nfs/dbraw/zinc/48/04/96/650480496.db2.gz FMWQXIRGYYVCTI-QGZVFWFLSA-N 1 0 381.523 1.621 20 0 GDADRO Cc1nc2ccccn2c1C[NH2+]CCNS(=O)(=O)c1sc(=O)[nH]c1C ZINC000547524872 650499893 /nfs/dbraw/zinc/49/98/93/650499893.db2.gz DEUUIBUSDCFPQU-UHFFFAOYSA-N 1 0 381.483 1.181 20 0 GDADRO CS[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000547625817 650509957 /nfs/dbraw/zinc/50/99/57/650509957.db2.gz QOQGJLWWRWDQDH-GJZGRUSLSA-N 1 0 387.502 1.125 20 0 GDADRO C[N@H+](CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)[C@H]1CCSC1 ZINC000547926377 650523371 /nfs/dbraw/zinc/52/33/71/650523371.db2.gz USHWISAMPUNXCV-JTQLQIEISA-N 1 0 395.476 1.643 20 0 GDADRO Cc1nc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)sc1S(N)(=O)=O ZINC000549259870 650573997 /nfs/dbraw/zinc/57/39/97/650573997.db2.gz QJPNAYHEDAWADG-OAHLLOKOSA-N 1 0 380.539 2.421 20 0 GDADRO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCN(CC(F)(F)F)CC1 ZINC000550079619 650588409 /nfs/dbraw/zinc/58/84/09/650588409.db2.gz NMRQIERYNNPVKM-KGLIPLIRSA-N 1 0 385.496 1.910 20 0 GDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000550685203 650596409 /nfs/dbraw/zinc/59/64/09/650596409.db2.gz VGSQPPVAIJBZQB-SNVBAGLBSA-N 1 0 378.420 1.987 20 0 GDADRO CCCCS(=O)(=O)NCC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000551177358 650600573 /nfs/dbraw/zinc/60/05/73/650600573.db2.gz JFYRENZLQXRWTD-UHFFFAOYSA-N 1 0 391.921 1.938 20 0 GDADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H](C)C1 ZINC000551370630 650605290 /nfs/dbraw/zinc/60/52/90/650605290.db2.gz MCSNXYSBXPMYKW-YWPYICTPSA-N 1 0 395.301 1.971 20 0 GDADRO C[C@@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)C(=O)NCC[NH+](C)C ZINC000552081360 650618815 /nfs/dbraw/zinc/61/88/15/650618815.db2.gz HETUIXBTWZGTAM-NEPJUHHUSA-N 1 0 386.290 1.399 20 0 GDADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2cc(Br)ccc2=O)C[C@@H](C)C1 ZINC000554131129 650668550 /nfs/dbraw/zinc/66/85/50/650668550.db2.gz LSXRNOPCIGCJBH-GZBFAFLISA-N 1 0 382.302 1.800 20 0 GDADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000555368742 650690060 /nfs/dbraw/zinc/69/00/60/650690060.db2.gz ZYWBVJPWMJCLOF-CABCVRRESA-N 1 0 388.555 1.546 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000556176708 650699582 /nfs/dbraw/zinc/69/95/82/650699582.db2.gz LSHPRCAEXGKUIU-INIZCTEOSA-N 1 0 397.313 1.992 20 0 GDADRO O[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)CN1CCOCC1 ZINC000556227870 650700362 /nfs/dbraw/zinc/70/03/62/650700362.db2.gz MSOXMASHKDPFMQ-ZDUSSCGKSA-N 1 0 387.274 1.003 20 0 GDADRO C[N@@H+]1CC[C@H](C(=O)NCC(=O)Nc2ccc(I)cc2)C1 ZINC000556726346 650709977 /nfs/dbraw/zinc/70/99/77/650709977.db2.gz IGKQGYWNDAKVFP-JTQLQIEISA-N 1 0 387.221 1.298 20 0 GDADRO CN1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000557164535 650719317 /nfs/dbraw/zinc/71/93/17/650719317.db2.gz OZCCFDYJVSWUEK-AWEZNQCLSA-N 1 0 398.305 1.062 20 0 GDADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000557202769 650720839 /nfs/dbraw/zinc/72/08/39/650720839.db2.gz LIMGEXRWBNPCQH-YESZJQIVSA-N 1 0 393.329 1.994 20 0 GDADRO NS(=O)(=O)c1cc(Br)cnc1NC1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000557319075 650723009 /nfs/dbraw/zinc/72/30/09/650723009.db2.gz RSPGFOWZWQUHHC-PDUMLCJASA-N 1 0 375.292 1.419 20 0 GDADRO COC(=O)c1cn(CC[NH2+][C@H]2CCc3cccc(Br)c3C2)nn1 ZINC000559303102 650731392 /nfs/dbraw/zinc/73/13/92/650731392.db2.gz IINNRDWUPIFXTR-LBPRGKRZSA-N 1 0 379.258 1.974 20 0 GDADRO CN(C(=O)C(=O)NCCc1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000559648234 650734927 /nfs/dbraw/zinc/73/49/27/650734927.db2.gz CKMQJNZYBJTZNL-INIZCTEOSA-N 1 0 394.313 1.803 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000564097610 650748814 /nfs/dbraw/zinc/74/88/14/650748814.db2.gz PBTOZPBONYQLRN-UHFFFAOYSA-N 1 0 383.436 1.747 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000564128962 650749926 /nfs/dbraw/zinc/74/99/26/650749926.db2.gz PBHDOAFEFOIZFT-CYBMUJFWSA-N 1 0 394.310 1.949 20 0 GDADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3cc(F)cc(Br)c3F)CCN2C1=O ZINC000564471125 650759123 /nfs/dbraw/zinc/75/91/23/650759123.db2.gz NECPRLFKFWTDDD-WCBMZHEXSA-N 1 0 389.200 1.503 20 0 GDADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)[NH+]1CCCC1 ZINC000564405997 650757100 /nfs/dbraw/zinc/75/71/00/650757100.db2.gz OESQKBZZRCOLEM-NSHDSACASA-N 1 0 394.324 1.872 20 0 GDADRO O=C(CCCS(=O)(=O)c1cccc(Br)c1)NC[C@@H]1CCC[NH2+]1 ZINC000564722252 650765535 /nfs/dbraw/zinc/76/55/35/650765535.db2.gz UYEMRYFVRDRFGP-ZDUSSCGKSA-N 1 0 389.315 1.871 20 0 GDADRO [NH3+]CCOCCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000564989794 650775397 /nfs/dbraw/zinc/77/53/97/650775397.db2.gz BTZKINCWBVTHNE-UHFFFAOYSA-N 1 0 382.313 1.275 20 0 GDADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000564997263 650776152 /nfs/dbraw/zinc/77/61/52/650776152.db2.gz ZOWDZAKCVCQHCM-CEFVDNRUSA-N 1 0 382.258 1.896 20 0 GDADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(I)cc1F ZINC000565250917 650789790 /nfs/dbraw/zinc/78/97/90/650789790.db2.gz QPFDCWJNPIEDHS-ZETCQYMHSA-N 1 0 379.173 1.222 20 0 GDADRO [NH3+]CC12CCC(CC1)CN2C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000565149678 650782501 /nfs/dbraw/zinc/78/25/01/650782501.db2.gz XZBMVYMYRZQQHG-UHFFFAOYSA-N 1 0 377.919 1.410 20 0 GDADRO Cc1ccc(F)c(Br)c1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565247300 650789440 /nfs/dbraw/zinc/78/94/40/650789440.db2.gz YRCGJHICERQTQX-ONGXEEELSA-N 1 0 385.237 1.672 20 0 GDADRO O=C(NCCNS(=O)(=O)c1ccc(F)c(Cl)c1)C12CCC[NH+]1CCC2 ZINC000565203530 650783976 /nfs/dbraw/zinc/78/39/76/650783976.db2.gz IOIFDPUHNWXFKB-UHFFFAOYSA-N 1 0 389.880 1.502 20 0 GDADRO C[NH2+]C[C@H](C)CNC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC000565595572 650804685 /nfs/dbraw/zinc/80/46/85/650804685.db2.gz GIKNIBCZRRFCDE-VIFPVBQESA-N 1 0 377.304 1.746 20 0 GDADRO CN(C(=O)CCNS(=O)(=O)c1ccccc1Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC000565482899 650798948 /nfs/dbraw/zinc/79/89/48/650798948.db2.gz QDJKHVYVJKWYRK-OAHLLOKOSA-N 1 0 385.917 1.561 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1csc(I)n1 ZINC000828686859 654877910 /nfs/dbraw/zinc/87/79/10/654877910.db2.gz VZQYOGUGVCFKGI-UHFFFAOYSA-N 1 0 383.255 1.446 20 0 GDADRO C[C@@H](NC(=O)c1cccc(Br)c1Cl)C(=O)NCC[NH+](C)C ZINC000565623129 650806271 /nfs/dbraw/zinc/80/62/71/650806271.db2.gz YDULYJFNOUUJNN-SECBINFHSA-N 1 0 376.682 1.899 20 0 GDADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000565706243 650809081 /nfs/dbraw/zinc/80/90/81/650809081.db2.gz QSTABTIIEPQEFN-UHFFFAOYSA-N 1 0 389.237 1.734 20 0 GDADRO O=C(CN1C(=O)COc2cc(Br)ccc21)NCCC[C@@H]1CCC[NH2+]1 ZINC000565711023 650809089 /nfs/dbraw/zinc/80/90/89/650809089.db2.gz DMLYZVANWFRTOU-ZDUSSCGKSA-N 1 0 396.285 1.823 20 0 GDADRO [NH3+]CC[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(F)F ZINC000565773900 650812507 /nfs/dbraw/zinc/81/25/07/650812507.db2.gz AGSXDINLSKDQGL-JTQLQIEISA-N 1 0 390.184 1.144 20 0 GDADRO C[C@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000565892349 650819576 /nfs/dbraw/zinc/81/95/76/650819576.db2.gz CZMKZBXNMXNSSQ-QWRGUYRKSA-N 1 0 375.288 1.432 20 0 GDADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(Br)cn1 ZINC000565958277 650823157 /nfs/dbraw/zinc/82/31/57/650823157.db2.gz ZYNZCRBNISNWKQ-UHFFFAOYSA-N 1 0 380.308 1.481 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC000566009855 650826053 /nfs/dbraw/zinc/82/60/53/650826053.db2.gz OMFLGDQHWXFMAL-TUAOUCFPSA-N 1 0 386.290 1.575 20 0 GDADRO Cc1ccc(OC[C@@H](O)C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000566114250 650827548 /nfs/dbraw/zinc/82/75/48/650827548.db2.gz DMGCFYIAESFWBH-HNNXBMFYSA-N 1 0 384.523 1.707 20 0 GDADRO O=C1[C@H]([NH2+]C[C@H](O)COCc2ccccc2Cl)CCN1CC(F)(F)F ZINC000566115212 650828015 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1.801 20 0 GDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)C2)s1 ZINC000566560797 650855731 /nfs/dbraw/zinc/85/57/31/650855731.db2.gz JVXDAMNAEOQLRV-RYUDHWBXSA-N 1 0 395.497 1.556 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000567109989 650885622 /nfs/dbraw/zinc/88/56/22/650885622.db2.gz LAHBMUTZHXCCAT-UHFFFAOYSA-N 1 0 377.894 1.912 20 0 GDADRO O=C(NCc1cc(F)ccc1Br)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567250033 650895603 /nfs/dbraw/zinc/89/56/03/650895603.db2.gz OHEKKFULFNGUFD-QGZVFWFLSA-N 1 0 398.276 1.807 20 0 GDADRO CC(C)(C[NH3+])NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000567261273 650895940 /nfs/dbraw/zinc/89/59/40/650895940.db2.gz ZLUWCSLQPLBVLX-UHFFFAOYSA-N 1 0 377.304 1.857 20 0 GDADRO C[C@@H](C[NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)S(C)(=O)=O ZINC000567263178 650896556 /nfs/dbraw/zinc/89/65/56/650896556.db2.gz WANTYOHCCYVULG-AAEUAGOBSA-N 1 0 378.416 1.829 20 0 GDADRO CCC[C@H](O)[C@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000567353099 650901226 /nfs/dbraw/zinc/90/12/26/650901226.db2.gz ZQJQTWCAIRKBPX-SNPRPXQTSA-N 1 0 380.254 1.439 20 0 GDADRO C[NH+](C)CCNC(=S)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000010849990 644225911 /nfs/dbraw/zinc/22/59/11/644225911.db2.gz NHEPZDGNWXUYJK-UHFFFAOYSA-N 1 0 380.543 1.352 20 0 GDADRO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NCCC[NH+](C)C ZINC000021780435 644262159 /nfs/dbraw/zinc/26/21/59/644262159.db2.gz WZLZMMKIAROVEU-UHFFFAOYSA-N 1 0 387.575 1.241 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229175 644331266 /nfs/dbraw/zinc/33/12/66/644331266.db2.gz LZPOGAGAQDHZJL-HIFRSBDPSA-N 1 0 386.949 1.778 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000567657657 650912752 /nfs/dbraw/zinc/91/27/52/650912752.db2.gz CYPMUEANQULCLW-IUODEOHRSA-N 1 0 386.279 1.703 20 0 GDADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000567660993 650913206 /nfs/dbraw/zinc/91/32/06/650913206.db2.gz TZGBAWXAMFEHBK-GFCCVEGCSA-N 1 0 377.413 1.369 20 0 GDADRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000567689371 650915048 /nfs/dbraw/zinc/91/50/48/650915048.db2.gz IYYVZXALCBVZTA-JSGCOSHPSA-N 1 0 375.282 1.802 20 0 GDADRO CCS(=O)(=O)N1CC(C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000567710603 650916069 /nfs/dbraw/zinc/91/60/69/650916069.db2.gz NRSMCVPEHHXDKJ-GUYCJALGSA-N 1 0 390.933 1.650 20 0 GDADRO CNC(=O)CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000567726766 650916974 /nfs/dbraw/zinc/91/69/74/650916974.db2.gz WFTMFVKBYGURPE-NSHDSACASA-N 1 0 379.682 1.958 20 0 GDADRO C[NH+](C)CCCNC(=S)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000054300510 644456969 /nfs/dbraw/zinc/45/69/69/644456969.db2.gz GMUIACCYYNJTIC-UHFFFAOYSA-N 1 0 390.600 1.317 20 0 GDADRO Cc1n[nH]c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c1Br ZINC000065044225 644535150 /nfs/dbraw/zinc/53/51/50/644535150.db2.gz HHZNMKCXXJTRGY-UHFFFAOYSA-N 1 0 393.289 1.557 20 0 GDADRO CN(C1C[NH2+]C1)S(=O)(=O)c1ccc(Br)cc1Br ZINC000097514808 644594948 /nfs/dbraw/zinc/59/49/48/644594948.db2.gz MDTXLLTZJSTMFB-UHFFFAOYSA-N 1 0 384.093 1.804 20 0 GDADRO O=C(Cc1c(F)ccc(Br)c1F)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000568213307 650941139 /nfs/dbraw/zinc/94/11/39/650941139.db2.gz YBOPZCKINGFOJB-MRXNPFEDSA-N 1 0 389.240 1.843 20 0 GDADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)[C@H](C)C1 ZINC000115591838 644643602 /nfs/dbraw/zinc/64/36/02/644643602.db2.gz NNCRWTWHYFILCI-TZMCWYRMSA-N 1 0 392.953 1.797 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000118335162 644652818 /nfs/dbraw/zinc/65/28/18/644652818.db2.gz ACLJDTPGNYTKSF-CYBMUJFWSA-N 1 0 387.933 1.499 20 0 GDADRO CCCN(C)C(=O)[C@H]1CSCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000568192834 650940359 /nfs/dbraw/zinc/94/03/59/650940359.db2.gz WBOXTJYKFUUCQT-JKSUJKDBSA-N 1 0 385.599 1.974 20 0 GDADRO CN1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)[C@H](C[NH3+])C1 ZINC000568232721 650942455 /nfs/dbraw/zinc/94/24/55/650942455.db2.gz ACORCUKHOJQXCA-BXUZGUMPSA-N 1 0 383.290 1.557 20 0 GDADRO C[NH2+]CCCNS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000122959908 644691929 /nfs/dbraw/zinc/69/19/29/644691929.db2.gz AXNPIXWWXWECJJ-UHFFFAOYSA-N 1 0 383.239 1.263 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C2)c(Br)cc1Cl ZINC000123123653 644693748 /nfs/dbraw/zinc/69/37/48/644693748.db2.gz UQBBEMFLMLGODO-ZETCQYMHSA-N 1 0 397.678 1.529 20 0 GDADRO COCC[N@H+](C)C[C@@H](O)CN(c1nccs1)S(=O)(=O)c1ccccc1 ZINC000568247663 650943288 /nfs/dbraw/zinc/94/32/88/650943288.db2.gz SMRWIVZPCKAECJ-CQSZACIVSA-N 1 0 385.511 1.278 20 0 GDADRO C[C@@H](C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[NH+]1CCCCCC1 ZINC000124793891 644710093 /nfs/dbraw/zinc/71/00/93/644710093.db2.gz USJSGVITSJTZGC-LBPRGKRZSA-N 1 0 385.452 1.681 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000125001752 644711505 /nfs/dbraw/zinc/71/15/05/644711505.db2.gz LEEWPESNPPKQLB-ZJUUUORDSA-N 1 0 391.287 1.784 20 0 GDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000125122058 644711832 /nfs/dbraw/zinc/71/18/32/644711832.db2.gz ZTCJYAWFPWBDMJ-GHMZBOCLSA-N 1 0 391.287 1.784 20 0 GDADRO NC(=O)[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000126209420 644719268 /nfs/dbraw/zinc/71/92/68/644719268.db2.gz UEQAXLBGRDLOAN-LBPRGKRZSA-N 1 0 383.367 1.256 20 0 GDADRO CSC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000127371089 644725221 /nfs/dbraw/zinc/72/52/21/644725221.db2.gz ABHNLLUBFUBCFG-LBPRGKRZSA-N 1 0 384.933 1.898 20 0 GDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000131400544 644745419 /nfs/dbraw/zinc/74/54/19/644745419.db2.gz WVXDSTQMLVTXJV-IAGOWNOFSA-N 1 0 396.329 1.897 20 0 GDADRO C[NH+](C)CCNC(=S)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000140517282 644773407 /nfs/dbraw/zinc/77/34/07/644773407.db2.gz PCCLCHGIFPPNHC-UHFFFAOYSA-N 1 0 384.571 1.113 20 0 GDADRO OC[C@H](CN1CCOCC1)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000568268814 650949802 /nfs/dbraw/zinc/94/98/02/650949802.db2.gz KNQWZPAECUMSKI-KBPBESRZSA-N 1 0 379.284 1.016 20 0 GDADRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)n1 ZINC000151348795 644779539 /nfs/dbraw/zinc/77/95/39/644779539.db2.gz CJPIUVLCNAICLF-LBPRGKRZSA-N 1 0 398.305 1.861 20 0 GDADRO Cc1c(Cl)cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1Cl ZINC000568283347 650950557 /nfs/dbraw/zinc/95/05/57/650950557.db2.gz LBDIOJSPEDYRQK-MFKMUULPSA-N 1 0 385.251 1.011 20 0 GDADRO C[NH+](C)[C@H]1CCCN(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000154143817 644801936 /nfs/dbraw/zinc/80/19/36/644801936.db2.gz VYEXAKUMVUDTOP-LBPRGKRZSA-N 1 0 386.440 1.036 20 0 GDADRO C[NH+](C)CCCN(C(=O)c1cc(Cl)ncc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000155751759 644815360 /nfs/dbraw/zinc/81/53/60/644815360.db2.gz DZYICTGNHJYEPG-NSHDSACASA-N 1 0 394.324 1.969 20 0 GDADRO C[C@H]([NH2+]CCc1ccco1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000155955842 644816921 /nfs/dbraw/zinc/81/69/21/644816921.db2.gz SHERNHGCSZQVIY-ZDUSSCGKSA-N 1 0 386.495 1.899 20 0 GDADRO CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1F ZINC000157869588 644832329 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20 0 GDADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347806 645940764 /nfs/dbraw/zinc/94/07/64/645940764.db2.gz IOUAXBVAGKDTIX-ZIAGYGMSSA-N 1 0 381.318 1.756 20 0 GDADRO C[NH2+]CCCN(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000420389876 645942736 /nfs/dbraw/zinc/94/27/36/645942736.db2.gz PSJDYVGXLNZKHQ-LBPRGKRZSA-N 1 0 390.937 1.459 20 0 GDADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420478008 645944727 /nfs/dbraw/zinc/94/47/27/645944727.db2.gz KQNNVJMXHAZRGZ-CYBMUJFWSA-N 1 0 385.877 1.425 20 0 GDADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000570929048 651060838 /nfs/dbraw/zinc/06/08/38/651060838.db2.gz AHBNGMZZTYPWAV-MFKMUULPSA-N 1 0 375.288 1.337 20 0 GDADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000570984550 651061223 /nfs/dbraw/zinc/06/12/23/651061223.db2.gz GVRAQRVMZBHHAD-CVEARBPZSA-N 1 0 376.567 1.420 20 0 GDADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000421707633 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646115895 /nfs/dbraw/zinc/11/58/95/646115895.db2.gz LXSJSYICPFREMQ-QGZVFWFLSA-N 1 0 398.301 1.311 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)s1 ZINC000423157797 646116494 /nfs/dbraw/zinc/11/64/94/646116494.db2.gz VVSRKMWQFLUKBK-DZGCQCFKSA-N 1 0 387.571 1.825 20 0 GDADRO COC(=O)C[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000423134023 646116546 /nfs/dbraw/zinc/11/65/46/646116546.db2.gz RGRMHRRNVAYOMK-AWEZNQCLSA-N 1 0 399.285 1.504 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2csc(Br)c2)C[C@@H]1C[NH3+] ZINC000423173091 646117217 /nfs/dbraw/zinc/11/72/17/646117217.db2.gz WWNSXEWDYYGRLT-PWSUYJOCSA-N 1 0 388.331 1.912 20 0 GDADRO C[C@H]1CCN(C(=O)C(=O)N2CCc3c(Br)cccc3C2)C[C@H]1C[NH3+] ZINC000423232772 646119095 /nfs/dbraw/zinc/11/90/95/646119095.db2.gz NELDSIPCZPTCRA-GXTWGEPZSA-N 1 0 394.313 1.777 20 0 GDADRO C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)Oc1cccc(Br)c1 ZINC000423247803 646121870 /nfs/dbraw/zinc/12/18/70/646121870.db2.gz PVBMMOGDQWYSPK-LLVKDONJSA-N 1 0 382.262 1.587 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423409429 646124659 /nfs/dbraw/zinc/12/46/59/646124659.db2.gz QAIOKQZOHGIIDA-CQSZACIVSA-N 1 0 398.301 1.497 20 0 GDADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000423450168 646125047 /nfs/dbraw/zinc/12/50/47/646125047.db2.gz DRSLKPUBSDIIMP-CHWSQXEVSA-N 1 0 382.302 1.925 20 0 GDADRO CCN(CCOc1ccc(Br)cc1)C(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423411256 646125061 /nfs/dbraw/zinc/12/50/61/646125061.db2.gz UECGLIQZYKTKRX-SWLSCSKDSA-N 1 0 398.301 1.482 20 0 GDADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000423523209 646127478 /nfs/dbraw/zinc/12/74/78/646127478.db2.gz ICPGAMARAJNOII-QGZVFWFLSA-N 1 0 398.276 1.670 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)C1 ZINC000423551422 646129600 /nfs/dbraw/zinc/12/96/00/646129600.db2.gz GNGRJODYMLCXCL-CHWSQXEVSA-N 1 0 394.313 1.790 20 0 GDADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423568229 646130814 /nfs/dbraw/zinc/13/08/14/646130814.db2.gz WRSDNLSEFOLQIC-XIKOKIGWSA-N 1 0 394.313 1.920 20 0 GDADRO CN(Cc1ccc(F)cc1Br)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423565472 646130860 /nfs/dbraw/zinc/13/08/60/646130860.db2.gz BMHXTKCHOFHQAT-SWLSCSKDSA-N 1 0 398.276 1.757 20 0 GDADRO CN(C(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000423578830 646132611 /nfs/dbraw/zinc/13/26/11/646132611.db2.gz MRBZCEUEBJHMMV-FZMZJTMJSA-N 1 0 396.285 1.538 20 0 GDADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000423590829 646134456 /nfs/dbraw/zinc/13/44/56/646134456.db2.gz IQCXSACXYSGZDI-OAHLLOKOSA-N 1 0 382.302 1.926 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC[NH2+]1 ZINC000423595938 646135166 /nfs/dbraw/zinc/13/51/66/646135166.db2.gz QUOPRLKQBOBXGN-AWEZNQCLSA-N 1 0 395.301 1.718 20 0 GDADRO CN(CCc1cccc(Br)c1)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000423612085 646136942 /nfs/dbraw/zinc/13/69/42/646136942.db2.gz NOQGBSXRJKIIBN-NUEKZKHPSA-N 1 0 394.313 1.646 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)[C@H](C)C[NH2+]1 ZINC000423629851 646139250 /nfs/dbraw/zinc/13/92/50/646139250.db2.gz KRZGQUHGZDNXNR-CHWSQXEVSA-N 1 0 384.933 1.255 20 0 GDADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000423627445 646139262 /nfs/dbraw/zinc/13/92/62/646139262.db2.gz IDXBBRPJXZMXMY-DTWKUNHWSA-N 1 0 375.313 1.539 20 0 GDADRO COc1cc(I)c(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1OC ZINC000423666185 646141478 /nfs/dbraw/zinc/14/14/78/646141478.db2.gz JTSWSALGDUFLCX-KWQFWETISA-N 1 0 390.221 1.870 20 0 GDADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000423665072 646141489 /nfs/dbraw/zinc/14/14/89/646141489.db2.gz JEOSZIUEEKPJJF-NWANDNLSSA-N 1 0 394.313 1.961 20 0 GDADRO C[C@@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000423947013 646145712 /nfs/dbraw/zinc/14/57/12/646145712.db2.gz CXPTUIBACVNXSF-ZANVPECISA-N 1 0 396.285 1.923 20 0 GDADRO CN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@@H](C[NH3+])C1CC1 ZINC000423956410 646146437 /nfs/dbraw/zinc/14/64/37/646146437.db2.gz SZHGVXIKEZCIGT-WFASDCNBSA-N 1 0 380.286 1.998 20 0 GDADRO CCCOc1c(Br)cc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1OC ZINC000423984067 646149115 /nfs/dbraw/zinc/14/91/15/646149115.db2.gz BFPSRQPGFPGYMQ-LBPRGKRZSA-N 1 0 387.274 1.965 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000423989588 646149649 /nfs/dbraw/zinc/14/96/49/646149649.db2.gz ILWVZVOJCHYTOP-GFCCVEGCSA-N 1 0 383.221 1.492 20 0 GDADRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(I)c1 ZINC000423994743 646151167 /nfs/dbraw/zinc/15/11/67/646151167.db2.gz SYOZGMYGTRWBNI-SECBINFHSA-N 1 0 380.613 1.663 20 0 GDADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NC[C@H]1C[NH2+]CCO1 ZINC000423996910 646151176 /nfs/dbraw/zinc/15/11/76/646151176.db2.gz XRPGHEMJSYNVKM-CYBMUJFWSA-N 1 0 385.262 1.065 20 0 GDADRO CN(CC[NH3+])C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000424004697 646151912 /nfs/dbraw/zinc/15/19/12/646151912.db2.gz NHVWBGSMQPZPDT-LBPRGKRZSA-N 1 0 386.265 1.858 20 0 GDADRO CC(C)[C@H](C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H](C)[NH3+] ZINC000424008505 646152550 /nfs/dbraw/zinc/15/25/50/646152550.db2.gz YIUUCKRNDIJYSF-HZMBPMFUSA-N 1 0 379.885 1.493 20 0 GDADRO [NH3+]CC1(O)CCN(C(=O)c2c(F)cccc2I)CC1 ZINC000424057053 646156766 /nfs/dbraw/zinc/15/67/66/646156766.db2.gz LTNHVMOIUOWEQI-UHFFFAOYSA-N 1 0 378.185 1.356 20 0 GDADRO C[C@@H]1C[C@@H](C)N(C(=O)CN(C)C(=O)c2ccc(Br)o2)C[C@@H]1C[NH3+] ZINC000424064872 646158964 /nfs/dbraw/zinc/15/89/64/646158964.db2.gz DQUXTIKEHHKGKW-UTUOFQBUSA-N 1 0 386.290 1.946 20 0 GDADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424235465 646169098 /nfs/dbraw/zinc/16/90/98/646169098.db2.gz KZNMFHCMZDIEBE-KNXALSJPSA-N 1 0 393.285 1.903 20 0 GDADRO CC(C)[C@H](CNC(=O)c1cc[nH]c(=O)c1Br)[NH+]1CCN(C)CC1 ZINC000435510586 646201142 /nfs/dbraw/zinc/20/11/42/646201142.db2.gz HREXCACUBBKNOZ-ZDUSSCGKSA-N 1 0 385.306 1.552 20 0 GDADRO 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647404761 /nfs/dbraw/zinc/40/47/61/647404761.db2.gz XJIHUANCVKFUOM-UHFFFAOYSA-N 1 0 375.878 1.301 20 0 GDADRO CC[NH+](CC)CCNC(=O)NCc1nn(C)cc1I ZINC000457417267 647419427 /nfs/dbraw/zinc/41/94/27/647419427.db2.gz YEMCHRZAEWTSCP-UHFFFAOYSA-N 1 0 379.246 1.166 20 0 GDADRO Cn1cc(I)c(CNC(=O)NCC2CC[NH+](C)CC2)n1 ZINC000458346373 647440156 /nfs/dbraw/zinc/44/01/56/647440156.db2.gz XPMOYDMCONSWEH-UHFFFAOYSA-N 1 0 391.257 1.166 20 0 GDADRO CN(C)c1cc[nH+]c(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 ZINC000921017015 660279980 /nfs/dbraw/zinc/27/99/80/660279980.db2.gz AJNPCHDYRYAZTE-UHFFFAOYSA-N 1 0 378.479 1.540 20 0 GDADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459699647 647464406 /nfs/dbraw/zinc/46/44/06/647464406.db2.gz OREWLRXKYGJMGC-INIZCTEOSA-N 1 0 391.273 1.685 20 0 GDADRO COc1ccc([C@H](C)NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1Br ZINC000460253742 647468280 /nfs/dbraw/zinc/46/82/80/647468280.db2.gz JONWHLBVVZQVAX-MEDUHNTESA-N 1 0 386.290 1.885 20 0 GDADRO 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ZINC000599903828 652517550 /nfs/dbraw/zinc/51/75/50/652517550.db2.gz MWQWTIHPKRXFKS-JOYOIKCWSA-N 1 0 387.221 1.405 20 0 GDADRO COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2cscc2Br)C1 ZINC000601440220 652582251 /nfs/dbraw/zinc/58/22/51/652582251.db2.gz SOOSDDVJDDHDSN-SECBINFHSA-N 1 0 397.316 1.236 20 0 GDADRO COC(=O)c1ncsc1S(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000601522439 652591987 /nfs/dbraw/zinc/59/19/87/652591987.db2.gz QJTAJISARWNOEU-UHFFFAOYSA-N 1 0 382.467 1.226 20 0 GDADRO Cc1ccc(I)cc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601573830 652594943 /nfs/dbraw/zinc/59/49/43/652594943.db2.gz FNHKMKJMTPWKLB-TXEJJXNPSA-N 1 0 399.232 1.501 20 0 GDADRO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601740613 652601137 /nfs/dbraw/zinc/60/11/37/652601137.db2.gz WBGNZEDMITZJAZ-HNNXBMFYSA-N 1 0 391.603 1.524 20 0 GDADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000601968999 652611902 /nfs/dbraw/zinc/61/19/02/652611902.db2.gz QKTAQBZQLZTJRY-KWBADKCTSA-N 1 0 393.267 1.389 20 0 GDADRO COC(=O)c1cn(CC[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000601965585 652612022 /nfs/dbraw/zinc/61/20/22/652612022.db2.gz PBVHSSSEQMOWPS-GFCCVEGCSA-N 1 0 389.239 1.401 20 0 GDADRO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000602018065 652614104 /nfs/dbraw/zinc/61/41/04/652614104.db2.gz CFNAABUTPZQRDV-UHFFFAOYSA-N 1 0 376.240 1.786 20 0 GDADRO Cc1cc(C(=O)N[C@H](CO)C[NH+](C)C)c(I)cc1Cl ZINC000602154846 652621487 /nfs/dbraw/zinc/62/14/87/652621487.db2.gz MDKXDVGXNVWNIL-VIFPVBQESA-N 1 0 396.656 1.905 20 0 GDADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nn(C)cc1I ZINC000602301228 652629405 /nfs/dbraw/zinc/62/94/05/652629405.db2.gz QWIKCCVTZYKGHY-JTQLQIEISA-N 1 0 390.269 1.827 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602434532 652636776 /nfs/dbraw/zinc/63/67/76/652636776.db2.gz FTPDMHDQTGORKY-FQEVSTJZSA-N 1 0 379.345 1.970 20 0 GDADRO CC[NH2+][C@H](C)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000602454546 652637814 /nfs/dbraw/zinc/63/78/14/652637814.db2.gz NJSVBQGNFPGPTP-PWSUYJOCSA-N 1 0 392.237 1.145 20 0 GDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602466753 652638019 /nfs/dbraw/zinc/63/80/19/652638019.db2.gz WLHGBWGEQZWYBN-YTEVENLXSA-N 1 0 387.343 1.997 20 0 GDADRO COC(=O)[C@@]1(NC(=O)C[C@@H](C[NH3+])OC)CCc2cc(Br)ccc2C1 ZINC000602545187 652640293 /nfs/dbraw/zinc/64/02/93/652640293.db2.gz UYCGHOQWSMXLGS-WMLDXEAASA-N 1 0 399.285 1.330 20 0 GDADRO Cc1csc(C(=O)NC2(C[NH3+])CCOCC2)c1I ZINC000602546275 652640530 /nfs/dbraw/zinc/64/05/30/652640530.db2.gz IPIKYGSCUNFBSS-UHFFFAOYSA-N 1 0 380.251 1.899 20 0 GDADRO [NH3+]CCCOCCNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000602556678 652641242 /nfs/dbraw/zinc/64/12/42/652641242.db2.gz LLLFMNRRMXGYCF-UHFFFAOYSA-N 1 0 388.209 1.263 20 0 GDADRO C[S@@](=O)C1(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[NH2+]CC1 ZINC000602597294 652642667 /nfs/dbraw/zinc/64/26/67/652642667.db2.gz APPOLOZTOVGGRL-JXMYHYCOSA-N 1 0 397.338 1.704 20 0 GDADRO C[S@](=O)C1(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[NH2+]CC1 ZINC000602597297 652642683 /nfs/dbraw/zinc/64/26/83/652642683.db2.gz APPOLOZTOVGGRL-UMPGKWJCSA-N 1 0 397.338 1.704 20 0 GDADRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602927652 652657944 /nfs/dbraw/zinc/65/79/44/652657944.db2.gz XSDXDXHDBCDRCV-CABZTGNLSA-N 1 0 378.256 1.509 20 0 GDADRO COC[C@@](C)(CO)[NH2+]CC(=O)Nc1ccccc1I ZINC000602931681 652658039 /nfs/dbraw/zinc/65/80/39/652658039.db2.gz IXEMSAPIOFEDCA-CYBMUJFWSA-N 1 0 378.210 1.217 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)c2nn(C)cc2I)CC[N@@H+]1C ZINC000603013374 652668486 /nfs/dbraw/zinc/66/84/86/652668486.db2.gz AQONHDUDZGMAOM-NSHDSACASA-N 1 0 376.242 1.437 20 0 GDADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nn(C)cc1I ZINC000603054109 652674237 /nfs/dbraw/zinc/67/42/37/652674237.db2.gz SPCMEWSDDZKXDD-CMPLNLGQSA-N 1 0 388.253 1.724 20 0 GDADRO C[C@H]1CN(C(=O)c2nn(C)cc2I)CC[N@@H+](C2CC2)C1 ZINC000603058492 652674860 /nfs/dbraw/zinc/67/48/60/652674860.db2.gz HCHCCMXLZFPTOI-SNVBAGLBSA-N 1 0 388.253 1.581 20 0 GDADRO [NH3+]CCSCc1cn(Cc2cc(=O)n3cc(Br)ccc3n2)nn1 ZINC000603170458 652683348 /nfs/dbraw/zinc/68/33/48/652683348.db2.gz CVDDYOFSIOJCJX-UHFFFAOYSA-N 1 0 395.286 1.289 20 0 GDADRO C[C@H](CC[NH+](C)C)NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000603307797 652695716 /nfs/dbraw/zinc/69/57/16/652695716.db2.gz SGSYHFUAOYNVPW-LLVKDONJSA-N 1 0 377.304 1.679 20 0 GDADRO CCOC(=O)c1nc(N2CCC[C@@](O)(C[NH+](C)C)C2)ccc1Br ZINC000603401341 652711301 /nfs/dbraw/zinc/71/13/01/652711301.db2.gz HFHXVNKIPMEOCA-MRXNPFEDSA-N 1 0 386.290 1.914 20 0 GDADRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncc(I)cn2)CC1 ZINC000603403865 652711824 /nfs/dbraw/zinc/71/18/24/652711824.db2.gz WGGOWRZEKSPZMV-LLVKDONJSA-N 1 0 388.253 1.771 20 0 GDADRO C[NH+](C)[C@]1(CNC(=O)c2ncc(I)s2)CCSC1 ZINC000603433820 652718895 /nfs/dbraw/zinc/71/88/95/652718895.db2.gz BLSWAZJTNORAQA-NSHDSACASA-N 1 0 397.307 1.915 20 0 GDADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1I)[NH+](C)C ZINC000603719731 652728911 /nfs/dbraw/zinc/72/89/11/652728911.db2.gz XLXNTJCMNVNBRV-SECBINFHSA-N 1 0 375.210 1.296 20 0 GDADRO CCOC(=O)C1CCN(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000603958741 652731934 /nfs/dbraw/zinc/73/19/34/652731934.db2.gz FVMXSLZYUVNMTH-HNNXBMFYSA-N 1 0 375.535 1.218 20 0 GDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CCn3cc(Br)cn3)CC2)C1 ZINC000604351015 652738164 /nfs/dbraw/zinc/73/81/64/652738164.db2.gz ZWWZMNQOEAGTGK-HNNXBMFYSA-N 1 0 384.322 1.274 20 0 GDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000605516753 652759195 /nfs/dbraw/zinc/75/91/95/652759195.db2.gz FPRUEYHWWDVKSY-LLVKDONJSA-N 1 0 379.935 1.670 20 0 GDADRO O=C(CCn1cc(Br)cn1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605558228 652760029 /nfs/dbraw/zinc/76/00/29/652760029.db2.gz VKFPSZVZCJNLQN-CYBMUJFWSA-N 1 0 385.306 1.653 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@@H]1C ZINC000607125867 652789113 /nfs/dbraw/zinc/78/91/13/652789113.db2.gz XAXIHQVJAAEEHB-WDEREUQCSA-N 1 0 387.278 1.043 20 0 GDADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000607724379 652805294 /nfs/dbraw/zinc/80/52/94/652805294.db2.gz MUBHXOSSUBNQSZ-UHFFFAOYSA-N 1 0 389.543 1.077 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)c2ccc(CCNC(C)=O)cc2)C[C@H]1[NH+](C)C ZINC000611243043 652912072 /nfs/dbraw/zinc/91/20/72/652912072.db2.gz UALOYYAQMMPNCK-SJORKVTESA-N 1 0 385.555 1.031 20 0 GDADRO CC(C)OCC[NH+]1CCC(NC(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000611866005 652923156 /nfs/dbraw/zinc/92/31/56/652923156.db2.gz ODAJTPFDVLJRTO-UHFFFAOYSA-N 1 0 375.516 1.015 20 0 GDADRO CC[NH+]1CCC(NC(=O)CS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000612176192 652931518 /nfs/dbraw/zinc/93/15/18/652931518.db2.gz NPKAFYIROCDOLJ-UHFFFAOYSA-N 1 0 389.315 1.823 20 0 GDADRO O=C(NCCNC(=O)c1ccc(Br)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612965689 652948428 /nfs/dbraw/zinc/94/84/28/652948428.db2.gz DBYCLPOCGHGWAP-AWEZNQCLSA-N 1 0 395.301 1.620 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000613415310 652958335 /nfs/dbraw/zinc/95/83/35/652958335.db2.gz DWLNNRWCAZEZTL-CYBMUJFWSA-N 1 0 390.311 1.439 20 0 GDADRO COc1c(Br)ccc(F)c1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614515525 652960306 /nfs/dbraw/zinc/96/03/06/652960306.db2.gz XGIZYJWRXJIHTM-NSHDSACASA-N 1 0 386.265 1.717 20 0 GDADRO COc1ccc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c(Br)c1 ZINC000615272862 652962338 /nfs/dbraw/zinc/96/23/38/652962338.db2.gz GQOJLRBLVNMYJT-UHFFFAOYSA-N 1 0 382.302 1.777 20 0 GDADRO C[NH+](C)CC1CN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)C1 ZINC000615510349 652963456 /nfs/dbraw/zinc/96/34/56/652963456.db2.gz GTDCVZUPPHZXDX-UHFFFAOYSA-N 1 0 399.563 1.922 20 0 GDADRO C[N@@H+]1CCC[C@H](NC(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 ZINC000617414905 652974036 /nfs/dbraw/zinc/97/40/36/652974036.db2.gz UAZZOQNHXJOEQS-ZDUSSCGKSA-N 1 0 393.285 1.760 20 0 GDADRO CC(C)[C@H](C(=O)N1CCc2sc(S(N)(=O)=O)cc2C1)[NH+]1CCCCC1 ZINC000620733548 652992853 /nfs/dbraw/zinc/99/28/53/652992853.db2.gz XZFRQZBLUUMHSZ-MRXNPFEDSA-N 1 0 385.555 1.791 20 0 GDADRO C[NH+](C)CCC[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CCO1 ZINC000620965676 652994615 /nfs/dbraw/zinc/99/46/15/652994615.db2.gz SLIQDRIJNVFGAG-OAHLLOKOSA-N 1 0 388.917 1.683 20 0 GDADRO CC(C)[C@H]1CN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000621148532 652996188 /nfs/dbraw/zinc/99/61/88/652996188.db2.gz QMRRGMWCTSAWPG-CYBMUJFWSA-N 1 0 394.324 1.728 20 0 GDADRO CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC[NH2+]1 ZINC000621152203 652996207 /nfs/dbraw/zinc/99/62/07/652996207.db2.gz RPBQTPHLPUMRPZ-GJZGRUSLSA-N 1 0 385.555 1.748 20 0 GDADRO CC(C)[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC[NH2+]1 ZINC000621149699 652996212 /nfs/dbraw/zinc/99/62/12/652996212.db2.gz OBARUTHQUQLGHV-CQSZACIVSA-N 1 0 385.555 1.993 20 0 GDADRO O=C(c1ccc(Br)cc1-n1cnnn1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000621654373 652998491 /nfs/dbraw/zinc/99/84/91/652998491.db2.gz YBCIUTBGRBHLPN-OAHLLOKOSA-N 1 0 377.246 1.250 20 0 GDADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1-n1cnnn1 ZINC000621658279 652998570 /nfs/dbraw/zinc/99/85/70/652998570.db2.gz DDZVYZAHMSVVEX-ZDUSSCGKSA-N 1 0 377.246 1.297 20 0 GDADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000621667475 652998663 /nfs/dbraw/zinc/99/86/63/652998663.db2.gz DEVNMXQRYBNYNK-UHFFFAOYSA-N 1 0 391.273 1.768 20 0 GDADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC(F)(F)c1ccc(Br)cc1 ZINC000621671222 652998668 /nfs/dbraw/zinc/99/86/68/652998668.db2.gz LKOZCXQBIQGPFO-LBPRGKRZSA-N 1 0 390.228 1.525 20 0 GDADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)Cn1cnc3ccc(Br)cc3c1=O)C2 ZINC000621694891 652998871 /nfs/dbraw/zinc/99/88/71/652998871.db2.gz NGWGCDOOKRGUED-GTNSWQLSSA-N 1 0 391.269 1.499 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622026627 653000886 /nfs/dbraw/zinc/00/08/86/653000886.db2.gz NSXXCMRANNUQSV-BONVTDFDSA-N 1 0 386.315 1.809 20 0 GDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622025269 653000895 /nfs/dbraw/zinc/00/08/95/653000895.db2.gz NSCMGFMJWGHLHK-BONVTDFDSA-N 1 0 386.315 1.809 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000624136541 653010110 /nfs/dbraw/zinc/01/01/10/653010110.db2.gz NCVKDUSGCFDJQQ-APHBMKBZSA-N 1 0 389.543 1.569 20 0 GDADRO CN(C)S(=O)(=O)N1CC([NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000624284211 653011317 /nfs/dbraw/zinc/01/13/17/653011317.db2.gz JVBVAEACLXVMOW-HNNXBMFYSA-N 1 0 388.331 1.907 20 0 GDADRO CN(C)S(=O)(=O)N1CC([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000624285121 653011721 /nfs/dbraw/zinc/01/17/21/653011721.db2.gz KAIMYBIGHHCQPI-UHFFFAOYSA-N 1 0 388.331 1.775 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc3c2OCCO3)CC[C@@H]1C(F)(F)F ZINC000624390970 653011902 /nfs/dbraw/zinc/01/19/02/653011902.db2.gz NEUHEKYPXKBPEL-QWRGUYRKSA-N 1 0 380.388 1.606 20 0 GDADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCN2CCOC[C@@H]2C1 ZINC000625326064 653027605 /nfs/dbraw/zinc/02/76/05/653027605.db2.gz PUTYFMNQXNUOOC-HOCLYGCPSA-N 1 0 380.286 1.719 20 0 GDADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000625744669 653044091 /nfs/dbraw/zinc/04/40/91/653044091.db2.gz PSKMVXQJONWKPA-NJZAAPMLSA-N 1 0 378.416 1.792 20 0 GDADRO OC[C@]1([NH2+]C[C@@H](O)Cn2cccn2)CCc2cc(Br)ccc2C1 ZINC000625794838 653045327 /nfs/dbraw/zinc/04/53/27/653045327.db2.gz NSCKHPJRODEUPQ-SJORKVTESA-N 1 0 380.286 1.516 20 0 GDADRO OC[C@]1([NH2+]Cc2nnnn2C2CC2)CCc2cc(Br)ccc2C1 ZINC000625794372 653045449 /nfs/dbraw/zinc/04/54/49/653045449.db2.gz HUOLAYHJPURZJE-INIZCTEOSA-N 1 0 378.274 1.780 20 0 GDADRO O=c1cc(CN2CC[NH+](CCCF)CC2)nc2ccc(Br)cn12 ZINC000626071377 653048484 /nfs/dbraw/zinc/04/84/84/653048484.db2.gz ALJINGDATDQLMW-UHFFFAOYSA-N 1 0 383.265 1.934 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1cc(OC)ns1)[C@@H]1CCS(=O)(=O)C1 ZINC000626272507 653052164 /nfs/dbraw/zinc/05/21/64/653052164.db2.gz BNMKQNXBVLIMOE-GFCCVEGCSA-N 1 0 375.516 1.123 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)CCC1 ZINC000626834497 653061735 /nfs/dbraw/zinc/06/17/35/653061735.db2.gz XZJWUGNGKZJWPB-UHFFFAOYSA-N 1 0 378.270 1.825 20 0 GDADRO [NH3+]CC1(NC(=O)C(=O)Nc2cccc(Br)c2Cl)CCOCC1 ZINC000626884431 653063091 /nfs/dbraw/zinc/06/30/91/653063091.db2.gz BIAYALZGJQBWBC-UHFFFAOYSA-N 1 0 390.665 1.665 20 0 GDADRO CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626890738 653063321 /nfs/dbraw/zinc/06/33/21/653063321.db2.gz PQXUSJIZLLKADQ-ZYHUDNBSSA-N 1 0 387.889 1.329 20 0 GDADRO [NH3+]CCCOCCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000626893022 653063472 /nfs/dbraw/zinc/06/34/72/653063472.db2.gz LXJRLTKGXLNTHQ-UHFFFAOYSA-N 1 0 378.654 1.523 20 0 GDADRO CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1Br ZINC000626891998 653063578 /nfs/dbraw/zinc/06/35/78/653063578.db2.gz DXXGWFNRUVPOJI-UWVGGRQHSA-N 1 0 397.273 1.004 20 0 GDADRO [NH3+]CCCOCCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000626891885 653063597 /nfs/dbraw/zinc/06/35/97/653063597.db2.gz KAHWQQZISXVKKU-UHFFFAOYSA-N 1 0 378.654 1.523 20 0 GDADRO [NH3+]CCCOCCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000626894996 653063991 /nfs/dbraw/zinc/06/39/91/653063991.db2.gz UNGNWEHFLFXRAJ-UHFFFAOYSA-N 1 0 378.654 1.523 20 0 GDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000626896418 653064505 /nfs/dbraw/zinc/06/45/05/653064505.db2.gz SMIXXUJJZFAXOL-UHFFFAOYSA-N 1 0 376.226 1.269 20 0 GDADRO O=C(NCCNC(=O)c1ccc(Br)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000626946433 653065125 /nfs/dbraw/zinc/06/51/25/653065125.db2.gz YMMYGCHWDQWIRS-AWEZNQCLSA-N 1 0 395.301 1.763 20 0 GDADRO C[C@@H]1CC[C@H](NC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)C[NH2+]1 ZINC000627203824 653068672 /nfs/dbraw/zinc/06/86/72/653068672.db2.gz ZJXLFHPPFBGVJZ-TYNCELHUSA-N 1 0 395.301 1.772 20 0 GDADRO O=C(c1c[nH]c2ncc(Br)cc12)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627265703 653070178 /nfs/dbraw/zinc/07/01/78/653070178.db2.gz MLKBMJHTHAIGEH-NEPJUHHUSA-N 1 0 379.258 1.607 20 0 GDADRO COc1cc(Br)c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1OC ZINC000627269572 653070739 /nfs/dbraw/zinc/07/07/39/653070739.db2.gz UPOXZZQGQUITCY-NWDGAFQWSA-N 1 0 399.285 1.747 20 0 GDADRO O=C(c1cn2ccc(Br)cc2n1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627266882 653070743 /nfs/dbraw/zinc/07/07/43/653070743.db2.gz HEPGAWYFESGVLB-OLZOCXBDSA-N 1 0 379.258 1.378 20 0 GDADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627346053 653072969 /nfs/dbraw/zinc/07/29/69/653072969.db2.gz CVGFFCHVTOLPIA-GXTWGEPZSA-N 1 0 382.302 1.939 20 0 GDADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCc1sccc1Br)C2 ZINC000627346302 653073029 /nfs/dbraw/zinc/07/30/29/653073029.db2.gz LWHZJWGAAGOHMM-GASCZTMLSA-N 1 0 386.315 1.585 20 0 GDADRO COc1ccc(CNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1Br ZINC000627360993 653073533 /nfs/dbraw/zinc/07/35/33/653073533.db2.gz BXXQFKQZFHEIIW-JQWIXIFHSA-N 1 0 384.274 1.331 20 0 GDADRO Cc1c(Br)cccc1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000627425750 653075160 /nfs/dbraw/zinc/07/51/60/653075160.db2.gz YXFUNYLJRFKQIR-HNNXBMFYSA-N 1 0 382.302 1.830 20 0 GDADRO COc1ccc(Br)c(CN(C)C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000627483471 653075609 /nfs/dbraw/zinc/07/56/09/653075609.db2.gz GIVCHBFKRDUQPW-AAEUAGOBSA-N 1 0 398.301 1.673 20 0 GDADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627982401 653082840 /nfs/dbraw/zinc/08/28/40/653082840.db2.gz IDCYGWJYWLDEDK-SECBINFHSA-N 1 0 376.240 1.123 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000628105210 653089560 /nfs/dbraw/zinc/08/95/60/653089560.db2.gz QRFBFIHTXAOQMH-JTQLQIEISA-N 1 0 377.775 1.063 20 0 GDADRO COCC(=O)N(C)CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968136 653128646 /nfs/dbraw/zinc/12/86/46/653128646.db2.gz BQWHYTLJQHUHIY-AWEZNQCLSA-N 1 0 376.284 1.817 20 0 GDADRO C[NH+](C)CCn1nnnc1S[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629136204 653133800 /nfs/dbraw/zinc/13/38/00/653133800.db2.gz PTCYCKNTJJCUQA-ZDUSSCGKSA-N 1 0 384.868 1.925 20 0 GDADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000629174076 653135469 /nfs/dbraw/zinc/13/54/69/653135469.db2.gz AVMJBMOEZWRYIN-CYBMUJFWSA-N 1 0 385.917 1.437 20 0 GDADRO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000629536141 653170118 /nfs/dbraw/zinc/17/01/18/653170118.db2.gz DVYAMLYJKVTNNR-FOGDFJRCSA-N 1 0 376.320 1.888 20 0 GDADRO CN1CCOC[C@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000629600098 653176473 /nfs/dbraw/zinc/17/64/73/653176473.db2.gz RXZCZZATSOQKBH-ZIAGYGMSSA-N 1 0 377.254 1.248 20 0 GDADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629789634 653182354 /nfs/dbraw/zinc/18/23/54/653182354.db2.gz KVDFLULBSYXKHP-NSHDSACASA-N 1 0 376.284 1.947 20 0 GDADRO Cc1ncsc1CN(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629796426 653182975 /nfs/dbraw/zinc/18/29/75/653182975.db2.gz QMVZHURONPGKKV-QWRGUYRKSA-N 1 0 378.420 1.396 20 0 GDADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N(C)CCOCC[NH3+])C2 ZINC000629805697 653183236 /nfs/dbraw/zinc/18/32/36/653183236.db2.gz OXHHJUJGYBMHNC-UHFFFAOYSA-N 1 0 384.274 1.033 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000629815206 653183583 /nfs/dbraw/zinc/18/35/83/653183583.db2.gz PWBIADOLEMLQEH-MRXNPFEDSA-N 1 0 396.329 1.906 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000629911031 653191862 /nfs/dbraw/zinc/19/18/62/653191862.db2.gz ODGCHMZHBJEQTH-ZDUSSCGKSA-N 1 0 379.258 1.636 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000629912884 653192086 /nfs/dbraw/zinc/19/20/86/653192086.db2.gz OTGQYCORIQDKFS-STQMWFEESA-N 1 0 386.279 1.529 20 0 GDADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000629912912 653192624 /nfs/dbraw/zinc/19/26/24/653192624.db2.gz AVHMGDLDJYEPAZ-LSDHHAIUSA-N 1 0 383.901 1.038 20 0 GDADRO C[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000631170245 653230656 /nfs/dbraw/zinc/23/06/56/653230656.db2.gz ZCHDYGIOORZSOL-UPJWGTAASA-N 1 0 375.922 1.575 20 0 GDADRO CNS(=O)(=O)CCC[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000631230117 653231927 /nfs/dbraw/zinc/23/19/27/653231927.db2.gz SFFZSRJVCVRKOE-UHFFFAOYSA-N 1 0 375.292 1.434 20 0 GDADRO CN(CCOc1ccccc1Cl)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631685026 653243698 /nfs/dbraw/zinc/24/36/98/653243698.db2.gz VCGAYBFINMMXRT-UHFFFAOYSA-N 1 0 389.949 1.618 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000631708159 653245263 /nfs/dbraw/zinc/24/52/63/653245263.db2.gz BJGGLDRPYOJCGK-LLVKDONJSA-N 1 0 377.894 1.595 20 0 GDADRO CNS(=O)(=O)CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000631710333 653245509 /nfs/dbraw/zinc/24/55/09/653245509.db2.gz PPAKYZLZWVVMQC-HOTGVXAUSA-N 1 0 375.922 1.241 20 0 GDADRO O=C(NCC(F)(F)F)C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631722871 653246670 /nfs/dbraw/zinc/24/66/70/653246670.db2.gz JIMUZOYESDHXGD-UHFFFAOYSA-N 1 0 385.452 1.193 20 0 GDADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)C1CCS(=O)(=O)CC1 ZINC000631744822 653249235 /nfs/dbraw/zinc/24/92/35/653249235.db2.gz ZJCMSNWFBZTVPE-APHBMKBZSA-N 1 0 378.560 1.182 20 0 GDADRO CN(C)C1(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000631813023 653256224 /nfs/dbraw/zinc/25/62/24/653256224.db2.gz JCEIFRYYLJUIHK-UHFFFAOYSA-N 1 0 375.485 1.752 20 0 GDADRO O=C(COc1ccc(Br)cn1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000631817453 653256892 /nfs/dbraw/zinc/25/68/92/653256892.db2.gz MACJSXCIABRLJU-HNNXBMFYSA-N 1 0 398.301 1.936 20 0 GDADRO O=C([C@H]1CCCN(Cc2ncc(Br)cc2F)C1)N1CC[NH2+]CC1 ZINC000631821420 653257445 /nfs/dbraw/zinc/25/74/45/653257445.db2.gz XIQHOEGMHPMRFT-LBPRGKRZSA-N 1 0 385.281 1.627 20 0 GDADRO O=S(=O)(NCCN1CC[NH2+]CC1)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631901388 653265498 /nfs/dbraw/zinc/26/54/98/653265498.db2.gz AYKKIGLLDJWFGP-UHFFFAOYSA-N 1 0 387.374 1.524 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000631902871 653265542 /nfs/dbraw/zinc/26/55/42/653265542.db2.gz SSOIAIDSLHSKJX-LLVKDONJSA-N 1 0 388.291 1.302 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000631905461 653265770 /nfs/dbraw/zinc/26/57/70/653265770.db2.gz NIGUXDIKTSBVCB-KCJUWKMLSA-N 1 0 388.291 1.158 20 0 GDADRO Cc1cccc(NC(=O)[C@@H]2CSCN2S(=O)(=O)CCC[NH+](C)C)c1C ZINC000631904685 653265937 /nfs/dbraw/zinc/26/59/37/653265937.db2.gz VPRNVRPUXQUMIO-INIZCTEOSA-N 1 0 385.555 1.898 20 0 GDADRO C[C@H](CCc1ccc(Br)cc1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631914737 653268797 /nfs/dbraw/zinc/26/87/97/653268797.db2.gz WJECSQAEBAMCOY-DOMZBBRYSA-N 1 0 391.331 1.678 20 0 GDADRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ccc(Br)cc1Cl ZINC000631915550 653269236 /nfs/dbraw/zinc/26/92/36/653269236.db2.gz MKNWATWDJBISQL-NSHDSACASA-N 1 0 383.695 1.510 20 0 GDADRO CN(CCc1ccc(Br)cc1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631918144 653270433 /nfs/dbraw/zinc/27/04/33/653270433.db2.gz VGSHUNZWYKHMCC-AWEZNQCLSA-N 1 0 377.304 1.242 20 0 GDADRO C[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)Oc1ccccc1Br ZINC000631925455 653272095 /nfs/dbraw/zinc/27/20/95/653272095.db2.gz WEFYMOXZUZSJIM-NEPJUHHUSA-N 1 0 393.303 1.124 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)NCC2(Sc3ccccc3)CC2)CC1 ZINC000631935388 653274259 /nfs/dbraw/zinc/27/42/59/653274259.db2.gz HGLFFLGFAUYBJC-UHFFFAOYSA-N 1 0 383.583 1.868 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000631939032 653275003 /nfs/dbraw/zinc/27/50/03/653275003.db2.gz REDWOQONOISZML-LLVKDONJSA-N 1 0 388.291 1.158 20 0 GDADRO CC1(C)CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631951689 653277846 /nfs/dbraw/zinc/27/78/46/653277846.db2.gz NMKRXYVKYDLVQB-CVEARBPZSA-N 1 0 388.917 1.810 20 0 GDADRO Cn1nc2c(c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)CCCC2 ZINC000631954230 653278760 /nfs/dbraw/zinc/27/87/60/653278760.db2.gz FSBXYRUVUGGTQA-CMPLNLGQSA-N 1 0 380.436 1.447 20 0 GDADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000631954254 653278776 /nfs/dbraw/zinc/27/87/76/653278776.db2.gz GFKCJTZRKHDTOG-NKWVEPMBSA-N 1 0 380.314 1.576 20 0 GDADRO Cn1nnc2cc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc21 ZINC000631954721 653279162 /nfs/dbraw/zinc/27/91/62/653279162.db2.gz UWTWLKHWPLIOFQ-ONGXEEELSA-N 1 0 377.392 1.116 20 0 GDADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000631962983 653279573 /nfs/dbraw/zinc/27/95/73/653279573.db2.gz WDGUFBICJHXYIP-UHFFFAOYSA-N 1 0 380.491 1.214 20 0 GDADRO [NH3+][C@@H](CCNS(=O)(=O)c1cnn(CC(F)(F)F)c1)Cc1ccccc1 ZINC000631964382 653280249 /nfs/dbraw/zinc/28/02/49/653280249.db2.gz BUXDLOVQRHIMLA-ZDUSSCGKSA-N 1 0 376.404 1.684 20 0 GDADRO [NH3+]Cc1cn([C@H]2CCN(S(=O)(=O)C3CCC(C(F)(F)F)CC3)C2)nn1 ZINC000631967615 653281021 /nfs/dbraw/zinc/28/10/21/653281021.db2.gz KJFCNCWSPXEHDY-YDGIUTOCSA-N 1 0 381.424 1.435 20 0 GDADRO O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631971205 653282253 /nfs/dbraw/zinc/28/22/53/653282253.db2.gz MPAYIHVLJNBZSP-IUCAKERBSA-N 1 0 396.104 1.946 20 0 GDADRO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631993370 653286678 /nfs/dbraw/zinc/28/66/78/653286678.db2.gz PVZLSOCHDGXHDB-RHSMWYFYSA-N 1 0 386.539 1.633 20 0 GDADRO Cn1c2ccc(S(=O)(=O)NC[C@@]3([NH+](C)C)CCSC3)cc2sc1=O ZINC000632066857 653299222 /nfs/dbraw/zinc/29/92/22/653299222.db2.gz RZJUDQVNHYHJHS-HNNXBMFYSA-N 1 0 387.552 1.316 20 0 GDADRO CCC1(CC)[C@H](N(C)S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1OC ZINC000632113225 653307846 /nfs/dbraw/zinc/30/78/46/653307846.db2.gz UWZHAMCCZHOAGX-SJORKVTESA-N 1 0 375.579 1.479 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632130133 653310674 /nfs/dbraw/zinc/31/06/74/653310674.db2.gz YYTKDUXNKNKSOG-OUAUKWLOSA-N 1 0 382.408 1.301 20 0 GDADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)C[C@@H]2CN(C)CCO2)CC1 ZINC000632199252 653315687 /nfs/dbraw/zinc/31/56/87/653315687.db2.gz HDEWXEVFZRHBGY-SFHVURJKSA-N 1 0 375.579 1.481 20 0 GDADRO Cc1cc(Br)cn2cc(CNS(=O)(=O)CCC[NH+](C)C)nc12 ZINC000632211014 653317509 /nfs/dbraw/zinc/31/75/09/653317509.db2.gz AWDCDFSZGIFASC-UHFFFAOYSA-N 1 0 389.319 1.776 20 0 GDADRO C[NH+]1CCN(CCCS(=O)(=O)N2CCSC[C@@H]2c2nccs2)CC1 ZINC000632229082 653320132 /nfs/dbraw/zinc/32/01/32/653320132.db2.gz RDRCDTPTBKJWHV-CQSZACIVSA-N 1 0 390.600 1.200 20 0 GDADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)Cc1ncsc1Br ZINC000632340338 653341201 /nfs/dbraw/zinc/34/12/01/653341201.db2.gz CSVZMFFNEWFWCU-UHFFFAOYSA-N 1 0 399.380 1.209 20 0 GDADRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000632449458 653359535 /nfs/dbraw/zinc/35/95/35/653359535.db2.gz CVQLBZIBCDORGJ-LLVKDONJSA-N 1 0 384.893 1.625 20 0 GDADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000632658837 653394801 /nfs/dbraw/zinc/39/48/01/653394801.db2.gz JKZFGNBHDRIKBR-UHFFFAOYSA-N 1 0 392.518 1.724 20 0 GDADRO CC[NH+](CC)CCS(=O)(=O)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000632756964 653408894 /nfs/dbraw/zinc/40/88/94/653408894.db2.gz QGAGZJSDEQCWHD-AWEZNQCLSA-N 1 0 376.544 1.455 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C[C@H]1C[NH3+] ZINC000633023659 653420282 /nfs/dbraw/zinc/42/02/82/653420282.db2.gz LKQTXOGZXSQWKS-HTQZYQBOSA-N 1 0 376.201 1.719 20 0 GDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2c(Br)cnn2C)C1 ZINC000633427277 653443700 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CC(C)C[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)n1ccnc1 ZINC000636160080 653522245 /nfs/dbraw/zinc/52/22/45/653522245.db2.gz LBJZBYBMSLMKRI-XQQFMLRXSA-N 1 0 381.420 1.904 20 0 GDADRO C[NH+]1CCN(c2cccc(C(=O)NCc3ccncc3Br)n2)CC1 ZINC000636311343 653523041 /nfs/dbraw/zinc/52/30/41/653523041.db2.gz WUCTYJYNHQDGTR-UHFFFAOYSA-N 1 0 390.285 1.921 20 0 GDADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000637423905 653528296 /nfs/dbraw/zinc/52/82/96/653528296.db2.gz SGGANGGGQCAYST-AWEZNQCLSA-N 1 0 378.217 1.593 20 0 GDADRO C[NH+](C)C[C@H](NC(=O)N1CCOC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637473643 653529469 /nfs/dbraw/zinc/52/94/69/653529469.db2.gz MUKHFQSGDVOXRM-DOMZBBRYSA-N 1 0 376.284 1.999 20 0 GDADRO Cn1ncc(Br)c1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000637634685 653529998 /nfs/dbraw/zinc/52/99/98/653529998.db2.gz SMXWLSBEMPKJNK-GFCCVEGCSA-N 1 0 386.294 1.046 20 0 GDADRO C[NH+](C)CC1CCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000637907891 653532063 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CN1CCN([C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)c2cccs2)CC1 ZINC000638288774 653537422 /nfs/dbraw/zinc/53/74/22/653537422.db2.gz ZRLXRNKCFCTTDI-CQSZACIVSA-N 1 0 384.527 1.067 20 0 GDADRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000638328662 653538307 /nfs/dbraw/zinc/53/83/07/653538307.db2.gz KNALPEANYUVRMN-ZJUUUORDSA-N 1 0 397.444 1.772 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1snc(OC)c1Br ZINC000638359555 653538779 /nfs/dbraw/zinc/53/87/79/653538779.db2.gz BXTJSMIYAWZEJJ-UHFFFAOYSA-N 1 0 386.337 1.675 20 0 GDADRO CN(CC(=O)NCC1([NH3+])CCOCC1)C(=O)c1ccc(Br)s1 ZINC000638536867 653539022 /nfs/dbraw/zinc/53/90/22/653539022.db2.gz HGIDMAGQKVVUKR-UHFFFAOYSA-N 1 0 390.303 1.207 20 0 GDADRO CC(C)[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)N1CCCS1(=O)=O ZINC000638559125 653539933 /nfs/dbraw/zinc/53/99/33/653539933.db2.gz SKDODOJAWGEJSZ-FRRDWIJNSA-N 1 0 385.452 1.032 20 0 GDADRO C[NH2+]CCOCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000638580115 653540443 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CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CN1CC[NH2+]CC1 ZINC000638827661 653544409 /nfs/dbraw/zinc/54/44/09/653544409.db2.gz PPOCCAINHVGKMU-AWEZNQCLSA-N 1 0 376.284 1.097 20 0 GDADRO CC(C)[C@H]1CN(Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000639103454 653546266 /nfs/dbraw/zinc/54/62/66/653546266.db2.gz VSYSYFNGXBLLQW-CQSZACIVSA-N 1 0 390.347 1.869 20 0 GDADRO Brc1cnc2c(C[NH2+]C3CCN([C@H]4CCOC4)CC3)cnn2c1 ZINC000639326746 653549926 /nfs/dbraw/zinc/54/99/26/653549926.db2.gz FETBFSGOFVDBQX-HNNXBMFYSA-N 1 0 380.290 1.835 20 0 GDADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639773064 653553236 /nfs/dbraw/zinc/55/32/36/653553236.db2.gz MRZQMIARPKNSTC-ZDUSSCGKSA-N 1 0 392.319 1.627 20 0 GDADRO Cc1nn(C)c(NC(=O)NCCN(C)CCC[NH+](C)C)c1Br ZINC000640168777 653556362 /nfs/dbraw/zinc/55/63/62/653556362.db2.gz GDMASBSELLGTRY-UHFFFAOYSA-N 1 0 375.315 1.496 20 0 GDADRO [NH3+][C@@H](CO)Cc1cn(Cc2csc(COc3ccc(Cl)cc3)n2)nn1 ZINC000640961315 653561399 /nfs/dbraw/zinc/56/13/99/653561399.db2.gz YTVKUOWMYBAYDW-GFCCVEGCSA-N 1 0 379.873 1.877 20 0 GDADRO COCC(COC)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000641353297 653565635 /nfs/dbraw/zinc/56/56/35/653565635.db2.gz SASRZWHZMJOPGC-CZUORRHYSA-N 1 0 376.544 1.712 20 0 GDADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641354099 653565777 /nfs/dbraw/zinc/56/57/77/653565777.db2.gz LTZSTRSMWDCLEZ-VIFPVBQESA-N 1 0 376.280 1.110 20 0 GDADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cnn3cc(Br)cnc23)CC[N@@H+]1C ZINC000641356050 653565818 /nfs/dbraw/zinc/56/58/18/653565818.db2.gz VODHWGSZRLSHKJ-ONGXEEELSA-N 1 0 388.291 1.253 20 0 GDADRO C[C@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000641443934 653568312 /nfs/dbraw/zinc/56/83/12/653568312.db2.gz XPEZOWQQDAWCPX-JTQLQIEISA-N 1 0 384.278 1.551 20 0 GDADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(OC)ns1 ZINC000641500156 653570006 /nfs/dbraw/zinc/57/00/06/653570006.db2.gz DWQULXOIGMJZEY-UHFFFAOYSA-N 1 0 377.532 1.414 20 0 GDADRO CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(C)C(C)(C)C3)c(Cl)cc21 ZINC000641592567 653572124 /nfs/dbraw/zinc/57/21/24/653572124.db2.gz DZERXOBRSKRRSQ-UHFFFAOYSA-N 1 0 385.917 1.964 20 0 GDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C)C(C)(C)C2)cc1F ZINC000641592116 653572137 /nfs/dbraw/zinc/57/21/37/653572137.db2.gz IDMZXKVMYKFFQE-UHFFFAOYSA-N 1 0 393.506 1.302 20 0 GDADRO CC(C)[NH+](CCNC(=O)NCC1(NS(C)(=O)=O)CCCCC1)C(C)C ZINC000642619237 653578777 /nfs/dbraw/zinc/57/87/77/653578777.db2.gz OXHSBEBZQABBDQ-UHFFFAOYSA-N 1 0 376.567 1.657 20 0 GDADRO O=C(NCCc1ccc(Br)cc1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642682278 653579087 /nfs/dbraw/zinc/57/90/87/653579087.db2.gz CSYGRHBQBVUCGI-ZFWWWQNUSA-N 1 0 380.286 1.318 20 0 GDADRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000642917567 653579770 /nfs/dbraw/zinc/57/97/70/653579770.db2.gz ANUYOGACHZUFRK-HNNXBMFYSA-N 1 0 396.285 1.217 20 0 GDADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643491149 653583074 /nfs/dbraw/zinc/58/30/74/653583074.db2.gz KPISXCWUYXDMAT-MFKMUULPSA-N 1 0 386.315 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389.543 1.240 20 0 GDADRO O=S(=O)(Cc1cccc(Br)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000647298586 653625505 /nfs/dbraw/zinc/62/55/05/653625505.db2.gz FPYCRZQEILVSFR-HNNXBMFYSA-N 1 0 388.331 1.258 20 0 GDADRO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647306564 653625736 /nfs/dbraw/zinc/62/57/36/653625736.db2.gz ASCLNNJZOLVTLZ-HUUCEWRRSA-N 1 0 386.539 1.490 20 0 GDADRO Cn1cc(Br)c2ccc(S(=O)(=O)NC[C@H]3C[NH2+]CCO3)cc21 ZINC000647324540 653626406 /nfs/dbraw/zinc/62/64/06/653626406.db2.gz ZIXHPYWASGNGQY-SNVBAGLBSA-N 1 0 388.287 1.208 20 0 GDADRO CNC(=O)[C@@H](C[NH2+][C@H](C)CS(C)(=O)=O)Cc1ccc(C(F)(F)F)cc1 ZINC000647351015 653626567 /nfs/dbraw/zinc/62/65/67/653626567.db2.gz JEGHUKNRZLRLHE-DGCLKSJQSA-N 1 0 380.432 1.633 20 0 GDADRO Cc1ccc(NC(=O)[C@H](C)N(C)CCN2CC[NH2+]CC2)c(Br)c1 ZINC000647835000 653635750 /nfs/dbraw/zinc/63/57/50/653635750.db2.gz IOJREKXHRURZEW-AWEZNQCLSA-N 1 0 383.334 1.922 20 0 GDADRO CS(=O)(=O)C1(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)CC[NH2+]CC1 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C[C@@]1(NC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CC[NH2+]C1 ZINC000663007619 654318005 /nfs/dbraw/zinc/31/80/05/654318005.db2.gz BVOWGHVPCMZDHQ-QGZVFWFLSA-N 1 0 379.507 1.708 20 0 GDADRO C[C@@]1(NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC[NH2+]C1 ZINC000663005671 654318101 /nfs/dbraw/zinc/31/81/01/654318101.db2.gz KOBKBUMWGZGZNX-CQSZACIVSA-N 1 0 380.297 1.530 20 0 GDADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000664315615 654373964 /nfs/dbraw/zinc/37/39/64/654373964.db2.gz UWPNNXXVASHNFX-LBPRGKRZSA-N 1 0 397.321 1.494 20 0 GDADRO C[C@H](CC(=O)Nc1cccc(Br)c1)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291518 654402828 /nfs/dbraw/zinc/40/28/28/654402828.db2.gz DEHSSIZPKOKZAI-SNVBAGLBSA-N 1 0 394.273 1.910 20 0 GDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000666319444 654424060 /nfs/dbraw/zinc/42/40/60/654424060.db2.gz RFCZTTOHJBYTCE-GFCCVEGCSA-N 1 0 382.262 1.332 20 0 GDADRO CS(=O)(=O)NCCNC(=S)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000731492739 654435760 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GDADRO CN1CC[NH+](CCCCNC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769690250 654478121 /nfs/dbraw/zinc/47/81/21/654478121.db2.gz VQHRRVAQQVBBAJ-UHFFFAOYSA-N 1 0 395.305 1.249 20 0 GDADRO CCN(C(=O)C(=O)NCCc1ccc(Br)s1)[C@H]1CC[N@H+](C)C1 ZINC000668420160 654481650 /nfs/dbraw/zinc/48/16/50/654481650.db2.gz WULZKVFONAFXCP-NSHDSACASA-N 1 0 388.331 1.722 20 0 GDADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1Cc3cccc(Br)c3C1)C2=O ZINC000769780687 654482299 /nfs/dbraw/zinc/48/22/99/654482299.db2.gz ZMOZOLXYZKAPDT-UHFFFAOYSA-N 1 0 393.285 1.738 20 0 GDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1nccn2c(Br)cnc12 ZINC000769993574 654495259 /nfs/dbraw/zinc/49/52/59/654495259.db2.gz MTJRYBQAIYHDDB-GFCCVEGCSA-N 1 0 394.273 1.475 20 0 GDADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000669043516 654497928 /nfs/dbraw/zinc/49/79/28/654497928.db2.gz ISNPDDJBFWBAGF-SECBINFHSA-N 1 0 378.420 1.767 20 0 GDADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000733165809 654501320 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C[NH+](C)C[C@H](CO)NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000673523467 654576410 /nfs/dbraw/zinc/57/64/10/654576410.db2.gz SOMIGBKDEWDIPA-CZUORRHYSA-N 1 0 390.311 1.405 20 0 GDADRO COc1cc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)sc1Br ZINC000673543363 654577437 /nfs/dbraw/zinc/57/74/37/654577437.db2.gz IUJWVOJJVXPNFS-QMMMGPOBSA-N 1 0 378.292 1.315 20 0 GDADRO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000673562258 654578581 /nfs/dbraw/zinc/57/85/81/654578581.db2.gz XBILSRMHYVJHEE-GFCCVEGCSA-N 1 0 389.905 1.927 20 0 GDADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000773071131 654580242 /nfs/dbraw/zinc/58/02/42/654580242.db2.gz ZZQXQWCMHDADBZ-WFASDCNBSA-N 1 0 389.543 1.850 20 0 GDADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000673857272 654584336 /nfs/dbraw/zinc/58/43/36/654584336.db2.gz OMASMSWZRQICKI-NEPJUHHUSA-N 1 0 397.324 1.734 20 0 GDADRO Cc1cc(C)c(S(=O)(=O)N(C)CC[NH+](C)C)c(C)c1NS(C)(=O)=O ZINC000674347493 654598534 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GDADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000676936525 654657743 /nfs/dbraw/zinc/65/77/43/654657743.db2.gz IXPUDVKLKLPARF-LSDHHAIUSA-N 1 0 380.576 1.193 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000677080854 654660081 /nfs/dbraw/zinc/66/00/81/654660081.db2.gz MHOKVQOKHIQZNZ-MRVPVSSYSA-N 1 0 376.201 1.876 20 0 GDADRO COC(=O)C[C@]1([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCOC1 ZINC000775674339 654671425 /nfs/dbraw/zinc/67/14/25/654671425.db2.gz WYYVJJWNIFFJRC-DZGCQCFKSA-N 1 0 376.222 1.933 20 0 GDADRO CCC[C@@H]1CN(C(=O)CCn2cc(Br)cn2)CC[N@@H+]1CCOC ZINC000678021799 654681648 /nfs/dbraw/zinc/68/16/48/654681648.db2.gz LNDCBNXZWDISMO-OAHLLOKOSA-N 1 0 387.322 1.995 20 0 GDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCc2ccc(S(=O)(=O)NC)cc21 ZINC000741510279 654690062 /nfs/dbraw/zinc/69/00/62/654690062.db2.gz HPYMYFJADYFKPB-AWEZNQCLSA-N 1 0 382.555 1.316 20 0 GDADRO COCCC[N@H+](C)CCNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000741727801 654691519 /nfs/dbraw/zinc/69/15/19/654691519.db2.gz YJQSLFVKRPKJIO-UHFFFAOYSA-N 1 0 396.289 1.728 20 0 GDADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000741865503 654693316 /nfs/dbraw/zinc/69/33/16/654693316.db2.gz QSTMQRMAGIEGPM-OAHLLOKOSA-N 1 0 380.539 1.580 20 0 GDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000678674323 654693362 /nfs/dbraw/zinc/69/33/62/654693362.db2.gz XHIWMKGOVZSDSD-JKSUJKDBSA-N 1 0 375.535 1.096 20 0 GDADRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000678768794 654695325 /nfs/dbraw/zinc/69/53/25/654695325.db2.gz GBYCUUZKNDTDGM-INIZCTEOSA-N 1 0 387.933 1.721 20 0 GDADRO CC[NH+](CC)CCN(C(=O)c1ccn(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000678863944 654696626 /nfs/dbraw/zinc/69/66/26/654696626.db2.gz KOVHBINVMKHQHD-GFCCVEGCSA-N 1 0 378.445 1.249 20 0 GDADRO CCOC(=O)N1CCC(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000742298880 654701271 /nfs/dbraw/zinc/70/12/71/654701271.db2.gz GVINHGXKQHRZOL-OAHLLOKOSA-N 1 0 377.551 1.893 20 0 GDADRO O=S(=O)(c1cccc2nsnc21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000776700250 654705343 /nfs/dbraw/zinc/70/53/43/654705343.db2.gz LOBKIBPMHNROFT-UHFFFAOYSA-N 1 0 381.527 1.093 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCC(=O)N(C)C ZINC000742691783 654708653 /nfs/dbraw/zinc/70/86/53/654708653.db2.gz BGOSTMAKCLXKFO-LBPRGKRZSA-N 1 0 376.910 1.163 20 0 GDADRO NC(=O)C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)C1CCOCC1 ZINC000680402078 654713780 /nfs/dbraw/zinc/71/37/80/654713780.db2.gz WYOHALAIPOGUNC-CQSZACIVSA-N 1 0 381.274 1.857 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(Cn2nc([C@H]3CCS(=O)(=O)C3)n(C)c2=S)C1 ZINC000743395452 654716391 /nfs/dbraw/zinc/71/63/91/654716391.db2.gz SCOJQOBLUQYLRR-KBPBESRZSA-N 1 0 387.575 1.227 20 0 GDADRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)c(Br)c1 ZINC000743980501 654722176 /nfs/dbraw/zinc/72/21/76/654722176.db2.gz MXDGNKOZDLYCON-NSHDSACASA-N 1 0 384.274 1.997 20 0 GDADRO CN(CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)S(C)(=O)=O ZINC000681050330 654722532 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CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000779094735 654754556 /nfs/dbraw/zinc/75/45/56/654754556.db2.gz SKRTXOKVGIRODI-CABCVRRESA-N 1 0 377.551 1.987 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000779094736 654754565 /nfs/dbraw/zinc/75/45/65/654754565.db2.gz SKRTXOKVGIRODI-GJZGRUSLSA-N 1 0 377.551 1.987 20 0 GDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1 ZINC000779543044 654763121 /nfs/dbraw/zinc/76/31/21/654763121.db2.gz DJUNBHJFUZSWNF-MRXNPFEDSA-N 1 0 391.921 1.023 20 0 GDADRO C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 ZINC000683204386 654770930 /nfs/dbraw/zinc/77/09/30/654770930.db2.gz MPYNWKVTXXMAMI-GDBMZVCRSA-N 1 0 384.318 1.994 20 0 GDADRO O=C(COc1ccc(F)cc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747234356 654779937 /nfs/dbraw/zinc/77/99/37/654779937.db2.gz RDHNAHKOXDTAKF-OLZOCXBDSA-N 1 0 387.249 1.946 20 0 GDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000747286692 654782002 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COc1c[nH+]ccc1N1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000684526201 654798224 /nfs/dbraw/zinc/79/82/24/654798224.db2.gz FIGRDZXSZQPULV-UHFFFAOYSA-N 1 0 394.273 1.788 20 0 GDADRO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000685102584 654813099 /nfs/dbraw/zinc/81/30/99/654813099.db2.gz ZSFHGIMCVIVPBB-UHFFFAOYSA-N 1 0 382.302 1.926 20 0 GDADRO CNS(=O)(=O)c1csc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000748846267 654815049 /nfs/dbraw/zinc/81/50/49/654815049.db2.gz MDMFREIRUFJTBX-UHFFFAOYSA-N 1 0 381.523 1.990 20 0 GDADRO COCCS(=O)(=O)CCC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000781918472 654820453 /nfs/dbraw/zinc/82/04/53/654820453.db2.gz WMINJESPCFAIGO-CYBMUJFWSA-N 1 0 378.516 1.160 20 0 GDADRO O=C1NCC2(CC[NH+](C[C@H](O)COc3ccc(Br)cc3)CC2)O1 ZINC000781991641 654822019 /nfs/dbraw/zinc/82/20/19/654822019.db2.gz GSMNKVVAMCAEJW-ZDUSSCGKSA-N 1 0 385.258 1.763 20 0 GDADRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000685621510 654823559 /nfs/dbraw/zinc/82/35/59/654823559.db2.gz 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O=C(/C=C/c1ccc(Br)o1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000752739148 654934496 /nfs/dbraw/zinc/93/44/96/654934496.db2.gz ODODZOBJJYAEQQ-DUXPYHPUSA-N 1 0 399.285 1.741 20 0 GDADRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CSCCS3)cn2)CC1 ZINC000752839100 654937237 /nfs/dbraw/zinc/93/72/37/654937237.db2.gz WGWWKVJVTOKEIG-OAHLLOKOSA-N 1 0 381.571 1.481 20 0 GDADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000786333483 654937446 /nfs/dbraw/zinc/93/74/46/654937446.db2.gz ZSNISLNWRDWXPB-OWCLPIDISA-N 1 0 385.599 1.719 20 0 GDADRO COCC[N@@H+]1CC[C@@H](NCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000730817658 654937775 /nfs/dbraw/zinc/93/77/75/654937775.db2.gz QHXWGSSJVINTRO-KGLIPLIRSA-N 1 0 390.937 1.015 20 0 GDADRO CCOC(=O)[C@H]1C[N@H+](C[C@H](O)c2ccc(Br)cc2)CC12COC2 ZINC000830269053 654938917 /nfs/dbraw/zinc/93/89/17/654938917.db2.gz HCVPIFPRPGKHST-CABCVRRESA-N 1 0 384.270 1.994 20 0 GDADRO Cc1cc([C@@H]([NH3+])CC(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc(Cl)n1 ZINC000830338129 654940813 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CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000754391660 654971563 /nfs/dbraw/zinc/97/15/63/654971563.db2.gz KQMYVMMOBQPJPI-ZFWWWQNUSA-N 1 0 375.535 1.551 20 0 GDADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000787761407 654972248 /nfs/dbraw/zinc/97/22/48/654972248.db2.gz KBCABKSOQGWSFV-LLVKDONJSA-N 1 0 379.320 1.802 20 0 GDADRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000754666645 654976620 /nfs/dbraw/zinc/97/66/20/654976620.db2.gz TYLWHOYEKPMZNC-CABCVRRESA-N 1 0 375.535 1.599 20 0 GDADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O)[NH+]1CCCCC1 ZINC000754929629 654982965 /nfs/dbraw/zinc/98/29/65/654982965.db2.gz OTQDBRLCJZVFPR-NSHDSACASA-N 1 0 399.289 1.077 20 0 GDADRO CC[N@H+](CCNC(=O)C(=O)N1CCc2cccc(Br)c2C1)C1CC1 ZINC000804223696 654990910 /nfs/dbraw/zinc/99/09/10/654990910.db2.gz HHFLODNRRFNNQV-UHFFFAOYSA-N 1 0 394.313 1.934 20 0 GDADRO CCO[C@@H](CNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)C[NH+](C)C ZINC000831696166 654992754 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20 0 GDADRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817949394 655362904 /nfs/dbraw/zinc/36/29/04/655362904.db2.gz KLPJGULLLRYTTP-DZGCQCFKSA-N 1 0 389.543 1.205 20 0 GDADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000817989322 655363480 /nfs/dbraw/zinc/36/34/80/655363480.db2.gz FXUOXMXSUTZHJR-WFASDCNBSA-N 1 0 396.285 1.169 20 0 GDADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000817994100 655363947 /nfs/dbraw/zinc/36/39/47/655363947.db2.gz VBSCMACONGFJQF-RISCZKNCSA-N 1 0 384.274 1.155 20 0 GDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000818003682 655364226 /nfs/dbraw/zinc/36/42/26/655364226.db2.gz ZVBHFQRVYWXFBY-AWEZNQCLSA-N 1 0 391.921 1.368 20 0 GDADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)ccc1Cl ZINC000818008009 655364296 /nfs/dbraw/zinc/36/42/96/655364296.db2.gz MPWCRKCXEUPWGC-ZDUSSCGKSA-N 1 0 389.905 1.089 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(Br)o1 ZINC000842479932 655366775 /nfs/dbraw/zinc/36/67/75/655366775.db2.gz JPIVKPHDAZRTHJ-JGVFFNPUSA-N 1 0 381.248 1.234 20 0 GDADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000842483576 655367670 /nfs/dbraw/zinc/36/76/70/655367670.db2.gz MWMUMQWQXWFUPI-GFCCVEGCSA-N 1 0 379.404 1.854 20 0 GDADRO O=S(=O)(c1ccc(I)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842485342 655368014 /nfs/dbraw/zinc/36/80/14/655368014.db2.gz QNGPIMXLRWIXNN-CYBMUJFWSA-N 1 0 392.262 1.808 20 0 GDADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(CCNC(=O)OC)s2)C1 ZINC000842678419 655370828 /nfs/dbraw/zinc/37/08/28/655370828.db2.gz JADOLJDMCXPUFI-LBPRGKRZSA-N 1 0 375.516 1.267 20 0 GDADRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000842708163 655372540 /nfs/dbraw/zinc/37/25/40/655372540.db2.gz OTJXAMFFULVXMX-UHFFFAOYSA-N 1 0 388.433 1.647 20 0 GDADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000842709489 655372596 /nfs/dbraw/zinc/37/25/96/655372596.db2.gz PURPZBLYNLKMCW-WDEREUQCSA-N 1 0 375.466 1.864 20 0 GDADRO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc21 ZINC000842718476 655373287 /nfs/dbraw/zinc/37/32/87/655373287.db2.gz OVTVHOYOMQEETO-VIFPVBQESA-N 1 0 390.303 1.326 20 0 GDADRO C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000842719997 655373393 /nfs/dbraw/zinc/37/33/93/655373393.db2.gz PPRUPIITVWAZJO-CABZTGNLSA-N 1 0 386.417 1.338 20 0 GDADRO C[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)[C@@H]1C[NH3+] ZINC000842721455 655373529 /nfs/dbraw/zinc/37/35/29/655373529.db2.gz HHQPONLWSQSHBL-WDEREUQCSA-N 1 0 382.454 1.431 20 0 GDADRO O=S(=O)(c1ccccc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C(F)F ZINC000842745945 655374994 /nfs/dbraw/zinc/37/49/94/655374994.db2.gz ABXFQOJKSJBDOL-LLVKDONJSA-N 1 0 380.438 1.198 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000842765788 655375746 /nfs/dbraw/zinc/37/57/46/655375746.db2.gz UYXUGCSENAMQBG-RKDXNWHRSA-N 1 0 381.267 1.968 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCC[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000818547846 655376185 /nfs/dbraw/zinc/37/61/85/655376185.db2.gz IWYPCELHMKBJKQ-GFCCVEGCSA-N 1 0 389.905 1.641 20 0 GDADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000818564263 655376490 /nfs/dbraw/zinc/37/64/90/655376490.db2.gz YXNOMDITKSXNCU-STQMWFEESA-N 1 0 385.917 1.934 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)c(Br)cc1F ZINC000842788698 655377009 /nfs/dbraw/zinc/37/70/09/655377009.db2.gz IAKMFJZWIKFLSL-LLVKDONJSA-N 1 0 395.250 1.390 20 0 GDADRO COC(=O)c1cc(Br)c(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000842789999 655377114 /nfs/dbraw/zinc/37/71/14/655377114.db2.gz BAEVAEQTMDMXJO-HTQZYQBOSA-N 1 0 397.316 1.655 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)s1 ZINC000842802756 655378122 /nfs/dbraw/zinc/37/81/22/655378122.db2.gz BZHVHQVDMILSPF-BLLLJJGKSA-N 1 0 389.543 1.833 20 0 GDADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000842834301 655380275 /nfs/dbraw/zinc/38/02/75/655380275.db2.gz QUZYFAJKPGKWHR-KWQFWETISA-N 1 0 381.267 1.873 20 0 GDADRO CC(=O)c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)ccc1Br ZINC000842835747 655380467 /nfs/dbraw/zinc/38/04/67/655380467.db2.gz ZVCIRTCWWRWMIA-XPTSAGLGSA-N 1 0 375.288 1.928 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)CCC[NH3+])c(Br)cc1F ZINC000842880024 655382240 /nfs/dbraw/zinc/38/22/40/655382240.db2.gz WYDHRJPFVUKYJU-MRVPVSSYSA-N 1 0 397.266 1.781 20 0 GDADRO CCS(=O)(=O)NCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000818955094 655382405 /nfs/dbraw/zinc/38/24/05/655382405.db2.gz IOESOSARFYSZCW-CYBMUJFWSA-N 1 0 399.738 1.839 20 0 GDADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000842894590 655383334 /nfs/dbraw/zinc/38/33/34/655383334.db2.gz USHSYAUUOKYJLT-RYUDHWBXSA-N 1 0 387.889 1.532 20 0 GDADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC12CCOCC2 ZINC000842894435 655383350 /nfs/dbraw/zinc/38/33/50/655383350.db2.gz GWZFIVMTDSLXDK-GFCCVEGCSA-N 1 0 384.889 1.364 20 0 GDADRO O=C(CC[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)Nc1cccnc1 ZINC000819058182 655384441 /nfs/dbraw/zinc/38/44/41/655384441.db2.gz AURMSFDFFGUENT-UHFFFAOYSA-N 1 0 376.429 1.264 20 0 GDADRO C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000842928859 655385051 /nfs/dbraw/zinc/38/50/51/655385051.db2.gz MJYIJIJDTLVQAA-HUBLWGQQSA-N 1 0 392.568 1.957 20 0 GDADRO C[C@@](O)(C[NH2+]CCOCCS(C)(=O)=O)c1ccc(Br)cc1F ZINC000819104321 655385783 /nfs/dbraw/zinc/38/57/83/655385783.db2.gz KGFXQJFFRQQOTR-CQSZACIVSA-N 1 0 398.294 1.447 20 0 GDADRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)c3ccccc3Br)C2=O)n(C)n1 ZINC000819120804 655386404 /nfs/dbraw/zinc/38/64/04/655386404.db2.gz RIPZYCRJLAXNNF-LSDHHAIUSA-N 1 0 393.285 1.920 20 0 GDADRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C(=O)N1CCOCC1 ZINC000819141616 655386912 /nfs/dbraw/zinc/38/69/12/655386912.db2.gz YOQFSQVIVKRCNA-CABCVRRESA-N 1 0 389.265 1.849 20 0 GDADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)CC1 ZINC000819172166 655387467 /nfs/dbraw/zinc/38/74/67/655387467.db2.gz VUMODINHRQLHLZ-GJZGRUSLSA-N 1 0 376.519 1.161 20 0 GDADRO CS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCCCCC[NH3+])cc1Cl ZINC000843052088 655387510 /nfs/dbraw/zinc/38/75/10/655387510.db2.gz MLMOSIJUTQRXFF-UHFFFAOYSA-N 1 0 390.893 1.285 20 0 GDADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccc(F)cn1)c1ccc(Cl)s1 ZINC000819185105 655387705 /nfs/dbraw/zinc/38/77/05/655387705.db2.gz HSXCULDHFANRCS-LLVKDONJSA-N 1 0 379.866 1.537 20 0 GDADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000843087115 655388175 /nfs/dbraw/zinc/38/81/75/655388175.db2.gz KAYBRBNSJKRVDJ-ZDUSSCGKSA-N 1 0 395.880 1.859 20 0 GDADRO O=S(=O)(C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1Cl)c1cccs1 ZINC000843097924 655388429 /nfs/dbraw/zinc/38/84/29/655388429.db2.gz KZVOODPXHXAYTO-FZMZJTMJSA-N 1 0 375.899 1.859 20 0 GDADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1nc2ccccn2c1Br ZINC000843121685 655388946 /nfs/dbraw/zinc/38/89/46/655388946.db2.gz HDRNAPUCCBIKPB-CYBMUJFWSA-N 1 0 394.317 1.916 20 0 GDADRO C[C@@H](NC(=O)CCc1nc(CC[NH3+])no1)C(=O)c1ccc(Br)cc1 ZINC000843131560 655389149 /nfs/dbraw/zinc/38/91/49/655389149.db2.gz NEAWEFRXVFZMIJ-SNVBAGLBSA-N 1 0 395.257 1.654 20 0 GDADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000819308475 655389580 /nfs/dbraw/zinc/38/95/80/655389580.db2.gz UVFDUKSQCSUBFO-WFASDCNBSA-N 1 0 391.331 1.886 20 0 GDADRO CC(C)NS(=O)(=O)c1cccc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)c1 ZINC000843202536 655389646 /nfs/dbraw/zinc/38/96/46/655389646.db2.gz LMEFYWOZUXTKOD-ZDUSSCGKSA-N 1 0 382.511 1.671 20 0 GDADRO O=S(=O)(CC[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)C1CCOCC1 ZINC000819350732 655390439 /nfs/dbraw/zinc/39/04/39/655390439.db2.gz TYWFQSIUABFKTN-MRXNPFEDSA-N 1 0 391.917 1.401 20 0 GDADRO CC(=O)N[C@@]1(c2nc([C@@H]3CCCN3C(=O)C(F)(F)F)cs2)CC[NH2+]C1 ZINC000843290652 655391094 /nfs/dbraw/zinc/39/10/94/655391094.db2.gz ZMFPLWLDNATBLJ-FZMZJTMJSA-N 1 0 376.404 1.694 20 0 GDADRO C[C@H]1CN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC[C@@H]1[NH3+] ZINC000843347905 655393339 /nfs/dbraw/zinc/39/33/39/655393339.db2.gz YJDFEKCLSAGLNT-JQWIXIFHSA-N 1 0 380.495 1.107 20 0 GDADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000843356238 655393642 /nfs/dbraw/zinc/39/36/42/655393642.db2.gz ITTUEBYUVIHOEV-CHWSQXEVSA-N 1 0 390.937 1.624 20 0 GDADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc(Cl)n1 ZINC000843380158 655394036 /nfs/dbraw/zinc/39/40/36/655394036.db2.gz MZMLYMXLICELCQ-UONOGXRCSA-N 1 0 388.921 1.364 20 0 GDADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843398425 655394191 /nfs/dbraw/zinc/39/41/91/655394191.db2.gz YSEITXBGLDSKTN-LSDHHAIUSA-N 1 0 377.551 1.893 20 0 GDADRO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000843400450 655394293 /nfs/dbraw/zinc/39/42/93/655394293.db2.gz DQGZWCNIKJXHFL-RYUDHWBXSA-N 1 0 377.268 1.618 20 0 GDADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000843451034 655395105 /nfs/dbraw/zinc/39/51/05/655395105.db2.gz JJULUXXKMUDAHW-GOOCMWNKSA-N 1 0 385.917 1.879 20 0 GDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000843454021 655395293 /nfs/dbraw/zinc/39/52/93/655395293.db2.gz IDOOMENZWOTGLE-UHFFFAOYSA-N 1 0 385.917 1.611 20 0 GDADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843464391 655395691 /nfs/dbraw/zinc/39/56/91/655395691.db2.gz PMKXZWYGXONCQA-ZYHUDNBSSA-N 1 0 380.495 1.026 20 0 GDADRO C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)NS(=O)(=O)c1cccnc1Cl ZINC000843469584 655395768 /nfs/dbraw/zinc/39/57/68/655395768.db2.gz PHXRNSAJAKQJRL-UPJWGTAASA-N 1 0 386.905 1.145 20 0 GDADRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)C1 ZINC000843468911 655395773 /nfs/dbraw/zinc/39/57/73/655395773.db2.gz BWXQZOQALMIXGE-NWDGAFQWSA-N 1 0 380.495 1.298 20 0 GDADRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000843482842 655396469 /nfs/dbraw/zinc/39/64/69/655396469.db2.gz LLNCQTSJIBJCJV-JTQLQIEISA-N 1 0 392.319 1.557 20 0 GDADRO CS(=O)(=O)c1cc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1Cl ZINC000843486240 655396684 /nfs/dbraw/zinc/39/66/84/655396684.db2.gz ZYGTWSHMSOLPGD-ZDUSSCGKSA-N 1 0 386.901 1.571 20 0 GDADRO CN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000843496296 655396928 /nfs/dbraw/zinc/39/69/28/655396928.db2.gz XFAVTHYNBQUCNH-CQSZACIVSA-N 1 0 392.257 1.117 20 0 GDADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000843502779 655397210 /nfs/dbraw/zinc/39/72/10/655397210.db2.gz FWZUOUFJUPZMHI-VHSXEESVSA-N 1 0 392.319 1.555 20 0 GDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCCCCCC[NH3+])ccc1Cl ZINC000843510457 655397281 /nfs/dbraw/zinc/39/72/81/655397281.db2.gz PRWZBVHOHYLLCD-UHFFFAOYSA-N 1 0 377.894 1.771 20 0 GDADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(Br)nc2n1CCCC2 ZINC000844041258 655405846 /nfs/dbraw/zinc/40/58/46/655405846.db2.gz XNRWXAGUKWTJCR-LLVKDONJSA-N 1 0 398.305 1.174 20 0 GDADRO CC1(C)C[NH2+]CCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000844165860 655408177 /nfs/dbraw/zinc/40/81/77/655408177.db2.gz DJUPKOAXFMCIPX-UHFFFAOYSA-N 1 0 384.221 1.763 20 0 GDADRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000844321047 655409379 /nfs/dbraw/zinc/40/93/79/655409379.db2.gz BRHRPKCHMLWJSU-NSHDSACASA-N 1 0 389.905 1.944 20 0 GDADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccnc(Br)c3)CC2)C1=O ZINC000820627969 655413215 /nfs/dbraw/zinc/41/32/15/655413215.db2.gz VMOJGAUTYQWPDW-ZDUSSCGKSA-N 1 0 381.274 1.269 20 0 GDADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3nc(Br)cs3)CC2)C1=O ZINC000820628214 655413261 /nfs/dbraw/zinc/41/32/61/655413261.db2.gz YMPXRYMWFFGDHK-SNVBAGLBSA-N 1 0 387.303 1.331 20 0 GDADRO C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000820730808 655414655 /nfs/dbraw/zinc/41/46/55/655414655.db2.gz LFBZPWXEKSPRGT-MFKMUULPSA-N 1 0 380.919 1.457 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)s1 ZINC000820731828 655414807 /nfs/dbraw/zinc/41/48/07/655414807.db2.gz UDYVVPSNMYFJAC-WCQYABFASA-N 1 0 375.516 1.360 20 0 GDADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000820783316 655416186 /nfs/dbraw/zinc/41/61/86/655416186.db2.gz UKTNACHCOKUFLY-UHFFFAOYSA-N 1 0 375.535 1.740 20 0 GDADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C[C@]2(C)CC2(Cl)Cl)CC1=O ZINC000820852814 655418094 /nfs/dbraw/zinc/41/80/94/655418094.db2.gz NPUGKSLWCMOJEF-IUODEOHRSA-N 1 0 380.316 1.256 20 0 GDADRO C[NH+](C)CC[C@@H](N)c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000844916318 655421057 /nfs/dbraw/zinc/42/10/57/655421057.db2.gz JZYDDDYGNKTXNH-LLVKDONJSA-N 1 0 382.262 1.965 20 0 GDADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000844991540 655421969 /nfs/dbraw/zinc/42/19/69/655421969.db2.gz PHSCLZIMNUEFMC-CABCVRRESA-N 1 0 393.359 1.666 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(N)nc(Br)c1 ZINC000821144066 655423425 /nfs/dbraw/zinc/42/34/25/655423425.db2.gz QNNDWFMTBYFGJA-AGIUHOORSA-N 1 0 383.290 1.750 20 0 GDADRO CCn1ncc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1Br ZINC000821318814 655426441 /nfs/dbraw/zinc/42/64/41/655426441.db2.gz MJJCJBOIDSWKEA-UHFFFAOYSA-N 1 0 382.262 1.641 20 0 GDADRO C[C@@H]1CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000821388600 655428228 /nfs/dbraw/zinc/42/82/28/655428228.db2.gz UWENXBSIHGKTSY-LBPRGKRZSA-N 1 0 385.452 1.479 20 0 GDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC000845435305 655429091 /nfs/dbraw/zinc/42/90/91/655429091.db2.gz AKUNJSQVPBDQEN-UHFFFAOYSA-N 1 0 377.297 1.830 20 0 GDADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)C[C@H]21 ZINC000821753621 655434433 /nfs/dbraw/zinc/43/44/33/655434433.db2.gz JVHXLJYSWMECQB-BCUIYNNISA-N 1 0 378.270 1.893 20 0 GDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC000845826067 655436386 /nfs/dbraw/zinc/43/63/86/655436386.db2.gz KOUVUYZXANXPPS-SECBINFHSA-N 1 0 377.297 1.829 20 0 GDADRO C[NH+](C)CCN1CCN(Cc2cc(Br)cnc2Cl)CC1=O ZINC000846012538 655444246 /nfs/dbraw/zinc/44/42/46/655444246.db2.gz DCMRDFKBOMXGNY-UHFFFAOYSA-N 1 0 375.698 1.703 20 0 GDADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)COC2CC[NH+](C)CC2)c1 ZINC000822619784 655448241 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379.218 1.800 20 0 GDADRO [NH3+]CC1(CCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000846691003 655458783 /nfs/dbraw/zinc/45/87/83/655458783.db2.gz DPGVJBVSHQJOJD-UHFFFAOYSA-N 1 0 385.917 1.983 20 0 GDADRO C[C@@H](CC(=O)N1CCC(CC[NH3+])CC1)NS(=O)(=O)c1cccnc1Cl ZINC000846694848 655458893 /nfs/dbraw/zinc/45/88/93/655458893.db2.gz DDLQVZVJLZUSPY-LBPRGKRZSA-N 1 0 388.921 1.379 20 0 GDADRO CC(C)NS(=O)(=O)CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823818818 655468703 /nfs/dbraw/zinc/46/87/03/655468703.db2.gz UVZPVBWYGDHJJH-LSDHHAIUSA-N 1 0 377.551 1.939 20 0 GDADRO Brc1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823832335 655468774 /nfs/dbraw/zinc/46/87/74/655468774.db2.gz MQXMVWFNAOHXEE-GFCCVEGCSA-N 1 0 393.289 1.788 20 0 GDADRO O=C(Nc1cccnc1Br)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847606386 655473044 /nfs/dbraw/zinc/47/30/44/655473044.db2.gz CIOXSDVLEMMZFN-DGCLKSJQSA-N 1 0 381.274 1.916 20 0 GDADRO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000824298002 655473716 /nfs/dbraw/zinc/47/37/16/655473716.db2.gz OEYKRXBMQYEZMT-SCRDCRAPSA-N 1 0 394.269 1.152 20 0 GDADRO C[N@@H+]1CC[C@H](CCOC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000847829737 655477249 /nfs/dbraw/zinc/47/72/49/655477249.db2.gz ZEQBQGADGAQAPC-LLVKDONJSA-N 1 0 395.253 1.930 20 0 GDADRO COc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000824666709 655478850 /nfs/dbraw/zinc/47/88/50/655478850.db2.gz BJKYCRUQRGXPGF-CMPLNLGQSA-N 1 0 397.273 1.344 20 0 GDADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(N)nc(Br)c1 ZINC000825125328 655484615 /nfs/dbraw/zinc/48/46/15/655484615.db2.gz BAJIYTGZSPSLNN-UHFFFAOYSA-N 1 0 385.306 1.857 20 0 GDADRO O=C(N1CCC([NH+]2CCOCC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000825493224 655490163 /nfs/dbraw/zinc/49/01/63/655490163.db2.gz UARJYTOSJWVUOM-UHFFFAOYSA-N 1 0 383.290 1.458 20 0 GDADRO CN(CC[N@H+](C)CCO)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000825527451 655490574 /nfs/dbraw/zinc/49/05/74/655490574.db2.gz OPJHGRCQXMGQID-UHFFFAOYSA-N 1 0 383.242 1.552 20 0 GDADRO C[N@H+](CCCO)C1CCN(c2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000825923455 655494959 /nfs/dbraw/zinc/49/49/59/655494959.db2.gz IILBFYHDRQGLSY-UHFFFAOYSA-N 1 0 395.305 1.912 20 0 GDADRO Cc1c(Br)cncc1C[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000826063946 655495782 /nfs/dbraw/zinc/49/57/82/655495782.db2.gz BALIVRLDNHCKGD-UHFFFAOYSA-N 1 0 377.304 1.836 20 0 GDADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c1F ZINC000848600643 655497252 /nfs/dbraw/zinc/49/72/52/655497252.db2.gz RZOAYZKOIVQAHQ-UHFFFAOYSA-N 1 0 376.837 1.814 20 0 GDADRO O=C(c1nc(Br)c2ccccn21)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000826570127 655498885 /nfs/dbraw/zinc/49/88/85/655498885.db2.gz NGRIVMBYHWLKEV-CYBMUJFWSA-N 1 0 393.285 1.768 20 0 GDADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000826674684 655500044 /nfs/dbraw/zinc/50/00/44/655500044.db2.gz WLAZYYOJJJMTHF-ZDUSSCGKSA-N 1 0 392.327 1.304 20 0 GDADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000826985651 655504112 /nfs/dbraw/zinc/50/41/12/655504112.db2.gz JODIEAMARGCWQD-ZQDZILKHSA-N 1 0 376.519 1.424 20 0 GDADRO CN1CC[NH+](C2CCN(C(=O)CCn3cc(Br)cn3)CC2)CC1 ZINC000827463224 655511718 /nfs/dbraw/zinc/51/17/18/655511718.db2.gz ZBMOCMKICXNQKV-UHFFFAOYSA-N 1 0 384.322 1.274 20 0 GDADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NCC[N@H+]1CC[C@@H](O)C1 ZINC000827535456 655512816 /nfs/dbraw/zinc/51/28/16/655512816.db2.gz IBCLNQAKJMCDFP-DGCLKSJQSA-N 1 0 382.258 1.058 20 0 GDADRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)nn1-c1ccccc1Br ZINC000827750025 655516061 /nfs/dbraw/zinc/51/60/61/655516061.db2.gz XETBPXXVHCHACD-ZDUSSCGKSA-N 1 0 393.285 1.740 20 0 GDADRO CC[C@H](C)NC(=[NH2+])NC[C@@H](O)COc1ccc(I)cc1 ZINC000849027835 655517066 /nfs/dbraw/zinc/51/70/66/655517066.db2.gz VYQHPLLOJBDWCP-CMPLNLGQSA-N 1 0 391.253 1.943 20 0 GDADRO C[C@H](CNC(=O)C(=O)NCCC1SCCS1)[N@H+](C)Cc1ccccc1 ZINC000828137771 655519548 /nfs/dbraw/zinc/51/95/48/655519548.db2.gz UWDVEZJKEMDQFU-CQSZACIVSA-N 1 0 381.567 1.936 20 0 GDADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]CC1(S(C)(=O)=O)CCCCC1 ZINC000849328777 655522032 /nfs/dbraw/zinc/52/20/32/655522032.db2.gz JWRYQCOESWHPNJ-CQSZACIVSA-N 1 0 378.535 1.599 20 0 GDADRO C[C@]1(CN2CCC(n3nncc3I)CC2)CC[NH2+]C1 ZINC000849352288 655522443 /nfs/dbraw/zinc/52/24/43/655522443.db2.gz KDRBBCOJFLTZRD-ZDUSSCGKSA-N 1 0 375.258 1.519 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCO[C@H]1CC1(F)F ZINC000850365330 655553263 /nfs/dbraw/zinc/55/32/63/655553263.db2.gz GCUIPFDZSCSSKJ-JQWIXIFHSA-N 1 0 383.848 1.718 20 0 GDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000850386894 655554007 /nfs/dbraw/zinc/55/40/07/655554007.db2.gz RENPJOWJZQOKTI-AWEZNQCLSA-N 1 0 387.933 1.845 20 0 GDADRO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000850510818 655557001 /nfs/dbraw/zinc/55/70/01/655557001.db2.gz YDCTULZQCDRVTC-BLLLJJGKSA-N 1 0 379.425 1.502 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000850628299 655561729 /nfs/dbraw/zinc/56/17/29/655561729.db2.gz KGNAEZRKSWKCTD-UHFFFAOYSA-N 1 0 391.269 1.956 20 0 GDADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)CCCC1 ZINC000850842918 655569913 /nfs/dbraw/zinc/56/99/13/655569913.db2.gz ZJIFEHZEPXSBDC-UHFFFAOYSA-N 1 0 375.397 1.009 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000851669032 655590178 /nfs/dbraw/zinc/59/01/78/655590178.db2.gz KLYNYYFBLSZLQZ-IRXDYDNUSA-N 1 0 376.904 1.981 20 0 GDADRO [NH3+]CCCCCCNC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000851666071 655590182 /nfs/dbraw/zinc/59/01/82/655590182.db2.gz FIGNLUQHXJWNHD-UHFFFAOYSA-N 1 0 386.294 1.392 20 0 GDADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000851669029 655590254 /nfs/dbraw/zinc/59/02/54/655590254.db2.gz KLYNYYFBLSZLQZ-DLBZAZTESA-N 1 0 376.904 1.981 20 0 GDADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCC2SCCS2)C[C@H]1c1ccccc1F ZINC000851692076 655590635 /nfs/dbraw/zinc/59/06/35/655590635.db2.gz RHUJVLVKKGAUNG-GXTWGEPZSA-N 1 0 383.514 1.391 20 0 GDADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000851853482 655599854 /nfs/dbraw/zinc/59/98/54/655599854.db2.gz VWYWILDFFRLVLH-ZDUSSCGKSA-N 1 0 379.404 1.320 20 0 GDADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000851921489 655603916 /nfs/dbraw/zinc/60/39/16/655603916.db2.gz SLXRYJUPKCAZIW-CYBMUJFWSA-N 1 0 378.362 1.355 20 0 GDADRO C[C@@](CO)([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1ccc(Br)cc1 ZINC000852040162 655606513 /nfs/dbraw/zinc/60/65/13/655606513.db2.gz RQVLPVWNLWZGLD-ZWKOTPCHSA-N 1 0 393.281 1.619 20 0 GDADRO C[NH+](C)CC[C@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)C(C)(C)C ZINC000852115485 655607963 /nfs/dbraw/zinc/60/79/63/655607963.db2.gz HGWFBLPIPXCISY-NSHDSACASA-N 1 0 375.457 1.629 20 0 GDADRO CCC[N@@H+]1CC[C@H](NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000852128888 655608247 /nfs/dbraw/zinc/60/82/47/655608247.db2.gz CNKVJBQOHSZGGO-ZDUSSCGKSA-N 1 0 382.477 1.034 20 0 GDADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC[C@@H]1COC(C)(C)O1 ZINC000852147782 655608717 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GDADRO [NH3+][C@H](CC(=O)N1CCC(n2nncc2I)CC1)C1CC1 ZINC000852861215 655624436 /nfs/dbraw/zinc/62/44/36/655624436.db2.gz QWSDPQCLSPRVBZ-LLVKDONJSA-N 1 0 389.241 1.174 20 0 GDADRO [NH3+]C[C@H]1CC(C(=O)NCc2noc(-c3cccc(Br)c3)n2)=NO1 ZINC000852891356 655625434 /nfs/dbraw/zinc/62/54/34/655625434.db2.gz QPBADMBZRZHHQN-SNVBAGLBSA-N 1 0 380.202 1.219 20 0 GDADRO Cc1c(C[NH3+])c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)nn1C ZINC000852899755 655625812 /nfs/dbraw/zinc/62/58/12/655625812.db2.gz MYCDTMQIAMNKLJ-UHFFFAOYSA-N 1 0 385.877 1.343 20 0 GDADRO C[C@]12CCN(C(=O)C3=NO[C@@H](C[NH3+])C3)C[C@H]1C2(Br)Br ZINC000852901590 655626135 /nfs/dbraw/zinc/62/61/35/655626135.db2.gz LAIFJMVWLVBOPV-ZOFUNIGCSA-N 1 0 395.095 1.445 20 0 GDADRO C[C@]12CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])C[C@H]1C2(Br)Br ZINC000852901907 655626300 /nfs/dbraw/zinc/62/63/00/655626300.db2.gz VHJUUISJKRGIMY-XNDJQWLSSA-N 1 0 396.123 1.705 20 0 GDADRO CC(C)([NH3+])CCC(=O)N1CCC(n2nncc2I)CC1 ZINC000852908684 655627488 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PWAPCNHFOWNLOE-GFCCVEGCSA-N 1 0 379.262 1.591 20 0 GDADRO COc1ccc(C(=O)N(C)CC2C[NH+](C)C2)nc1I ZINC000855638910 655698640 /nfs/dbraw/zinc/69/86/40/655698640.db2.gz XUKVJDBUTBVDME-UHFFFAOYSA-N 1 0 375.210 1.328 20 0 GDADRO CN(CC1C[NH+](C)C1)C(=O)c1ccc2ncc(I)n2c1 ZINC000855638299 655698680 /nfs/dbraw/zinc/69/86/80/655698680.db2.gz AMGFZZFNGBFKEO-UHFFFAOYSA-N 1 0 384.221 1.573 20 0 GDADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(Br)cnc1Cl ZINC000855695103 655699584 /nfs/dbraw/zinc/69/95/84/655699584.db2.gz GZDMISPYPHAQCP-UHFFFAOYSA-N 1 0 391.697 1.590 20 0 GDADRO CC[NH+](CC)CC(=O)N1CCC(n2nncc2I)CC1 ZINC000855827790 655702295 /nfs/dbraw/zinc/70/22/95/655702295.db2.gz AFLAYECLGSLJBV-UHFFFAOYSA-N 1 0 391.257 1.388 20 0 GDADRO NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1Cl ZINC000856476493 655713890 /nfs/dbraw/zinc/71/38/90/655713890.db2.gz XPCVWGXMRJKNMK-CYBMUJFWSA-N 1 0 385.917 1.839 20 0 GDADRO Nc1nc(N2CCC[C@H](OC(=O)c3cc(Br)c[nH]c3=O)C2)cc[nH+]1 ZINC000857022978 655726040 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398.428 1.482 20 0 GDADRO C[N@H+](CC(=O)N1CC(O)(c2cccc(Br)c2)C1)[C@H]1CCSC1 ZINC000857420148 655736785 /nfs/dbraw/zinc/73/67/85/655736785.db2.gz XYICLPKYCZRCQQ-AWEZNQCLSA-N 1 0 385.327 1.916 20 0 GDADRO CC[N@H+](CCNC(=O)c1ccc(Br)cc1-n1cnnn1)C(C)C ZINC000857710932 655739635 /nfs/dbraw/zinc/73/96/35/655739635.db2.gz LNBHQIWSAGHBQX-UHFFFAOYSA-N 1 0 381.278 1.885 20 0 GDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(Br)nc3n2CCOC3)[C@@H](C)C1 ZINC000857712708 655739709 /nfs/dbraw/zinc/73/97/09/655739709.db2.gz RMVSUXBTOSVXSX-RYUDHWBXSA-N 1 0 385.306 1.978 20 0 GDADRO Cn1cc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c(Br)n1 ZINC000858163644 655745257 /nfs/dbraw/zinc/74/52/57/655745257.db2.gz JGSUBTSKRYIIAU-ZYHUDNBSSA-N 1 0 379.324 1.380 20 0 GDADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000858611216 655750064 /nfs/dbraw/zinc/75/00/64/655750064.db2.gz NGJWUTJWOACJON-UWVGGRQHSA-N 1 0 379.841 1.839 20 0 GDADRO O=C(Nc1cccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)c1)C(F)(F)F ZINC000858612573 655750312 /nfs/dbraw/zinc/75/03/12/655750312.db2.gz MPHYPDDLZNHORP-JTQLQIEISA-N 1 0 387.330 1.463 20 0 GDADRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000858616808 655750644 /nfs/dbraw/zinc/75/06/44/655750644.db2.gz UYAIYLJNYHRODM-CYBMUJFWSA-N 1 0 379.404 1.806 20 0 GDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC[NH3+])c1 ZINC000858619515 655750685 /nfs/dbraw/zinc/75/06/85/655750685.db2.gz QADQYSISEDTYRB-UHFFFAOYSA-N 1 0 397.950 1.340 20 0 GDADRO C[NH2+]CCOCCN(C)S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000858626442 655751173 /nfs/dbraw/zinc/75/11/73/655751173.db2.gz CSDANQIXIBKQAE-WDZFZDKYSA-N 1 0 377.304 1.917 20 0 GDADRO CCOC(=O)c1cc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc(Br)c1C ZINC000858640354 655751760 /nfs/dbraw/zinc/75/17/60/655751760.db2.gz OTHQAXKVPCWOCI-SECBINFHSA-N 1 0 393.303 1.902 20 0 GDADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1Cl ZINC000859076209 655761895 /nfs/dbraw/zinc/76/18/95/655761895.db2.gz FVPGMGYLUFMOMA-CQSZACIVSA-N 1 0 379.866 1.109 20 0 GDADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000859120846 655764481 /nfs/dbraw/zinc/76/44/81/655764481.db2.gz KDYHCANCRVDBQT-LLVKDONJSA-N 1 0 379.404 1.950 20 0 GDADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cccc(NC(=O)C(F)(F)F)c3)[C@H]2C1 ZINC000859166798 655767060 /nfs/dbraw/zinc/76/70/60/655767060.db2.gz MDJOQMQYBHVJPG-MFKMUULPSA-N 1 0 377.388 1.512 20 0 GDADRO Cn1nc(Cl)c(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1Cl ZINC000860072386 655794604 /nfs/dbraw/zinc/79/46/04/655794604.db2.gz CUVUQIOFNASIQY-CYBMUJFWSA-N 1 0 383.279 1.876 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000860194812 655796406 /nfs/dbraw/zinc/79/64/06/655796406.db2.gz ZJTPKUSCXWTVAH-HNNXBMFYSA-N 1 0 375.535 1.505 20 0 GDADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000860196952 655796422 /nfs/dbraw/zinc/79/64/22/655796422.db2.gz NDGYUIQJDJBCPO-WFASDCNBSA-N 1 0 391.331 1.744 20 0 GDADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000860194813 655796448 /nfs/dbraw/zinc/79/64/48/655796448.db2.gz ZJTPKUSCXWTVAH-OAHLLOKOSA-N 1 0 375.535 1.505 20 0 GDADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2c(Br)nc3n2CCOC3)C1 ZINC000861358068 655820140 /nfs/dbraw/zinc/82/01/40/655820140.db2.gz VCKIYJJZZMBEKW-MEBBXXQBSA-N 1 0 388.262 1.442 20 0 GDADRO COc1cc(I)ccc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861543718 655825659 /nfs/dbraw/zinc/82/56/59/655825659.db2.gz FSPDUCVDHBCBAE-QMMMGPOBSA-N 1 0 391.209 1.044 20 0 GDADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000861543184 655825676 /nfs/dbraw/zinc/82/56/76/655825676.db2.gz ZFLYTNUYSGRFSH-NSHDSACASA-N 1 0 394.273 1.438 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(I)cc1F ZINC000861543833 655825725 /nfs/dbraw/zinc/82/57/25/655825725.db2.gz GZXXTAJJTJFHHQ-SSDOTTSWSA-N 1 0 379.173 1.174 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000861645448 655827384 /nfs/dbraw/zinc/82/73/84/655827384.db2.gz FEQMYVGMSXLKPA-JTQLQIEISA-N 1 0 379.205 1.649 20 0 GDADRO C[C@@H]([NH3+])CN(C)C(=O)NCC(=O)Nc1ccc(I)cc1 ZINC000861633566 655827405 /nfs/dbraw/zinc/82/74/05/655827405.db2.gz SPGZMHRTDOCMQN-SECBINFHSA-N 1 0 390.225 1.218 20 0 GDADRO O=C(c1cn2c(Br)cnc2s1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713857 655828961 /nfs/dbraw/zinc/82/89/61/655828961.db2.gz FNDXWGNDMRDGJK-VHSXEESVSA-N 1 0 385.287 1.439 20 0 GDADRO O=Cc1ccc(OCC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(Br)c1 ZINC000861712365 655828974 /nfs/dbraw/zinc/82/89/74/655828974.db2.gz NDHPGMOJBRNLPQ-KBPBESRZSA-N 1 0 397.269 1.308 20 0 GDADRO Cn1nc(Cl)c(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c1Cl ZINC000861988895 655835668 /nfs/dbraw/zinc/83/56/68/655835668.db2.gz QERYJGXFOSLXCS-UHFFFAOYSA-N 1 0 390.315 1.253 20 0 GDADRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862278126 655843879 /nfs/dbraw/zinc/84/38/79/655843879.db2.gz DCCJCOMSMVJJTI-UONOGXRCSA-N 1 0 378.535 1.814 20 0 GDADRO CC(C)(C)OC(=O)N1[C@H](C[NH+]2CCC(S(N)(=O)=O)CC2)COC1(C)C ZINC000862337652 655844677 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GDADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000864054354 655888253 /nfs/dbraw/zinc/88/82/53/655888253.db2.gz RGBJHAAZSHHSDP-NSHDSACASA-N 1 0 391.253 1.700 20 0 GDADRO C[NH+]1CCN(CCCNC(=O)c2nc(Br)sc2Cl)CC1 ZINC000864588319 655902848 /nfs/dbraw/zinc/90/28/48/655902848.db2.gz XOLMPFKZDJKPLM-UHFFFAOYSA-N 1 0 381.727 1.926 20 0 GDADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000864866449 655907405 /nfs/dbraw/zinc/90/74/05/655907405.db2.gz VEBIRUCBCBCAEC-UHFFFAOYSA-N 1 0 394.317 1.854 20 0 GDADRO CC(C)n1ncc(C(=O)NC[C@H]2CC[N@H+](C)C2)c1I ZINC000864962750 655909153 /nfs/dbraw/zinc/90/91/53/655909153.db2.gz OZPUDWGUPMRCIG-SNVBAGLBSA-N 1 0 376.242 1.750 20 0 GDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(I)nn2C)C1 ZINC000865048349 655910588 /nfs/dbraw/zinc/91/05/88/655910588.db2.gz RGVITPCDQBOYFO-JTQLQIEISA-N 1 0 376.242 1.486 20 0 GDADRO CCOC(=O)CS[C@H](CNC(=S)NC1CC[NH+](C)CC1)C(F)(F)F ZINC000865270016 655915883 /nfs/dbraw/zinc/91/58/83/655915883.db2.gz CGDKGCAWXYQXGQ-LLVKDONJSA-N 1 0 387.493 1.772 20 0 GDADRO NS(=O)(=O)c1cc(Br)ccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865485436 655920551 /nfs/dbraw/zinc/92/05/51/655920551.db2.gz RIKHJSUMXHBROZ-NEPJUHHUSA-N 1 0 390.303 1.372 20 0 GDADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cccnc2Br)CC1 ZINC000865528590 655921333 /nfs/dbraw/zinc/92/13/33/655921333.db2.gz SYWAXDXTSRXTCI-UHFFFAOYSA-N 1 0 376.320 1.995 20 0 GDADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1)CC(F)(F)F ZINC000865618262 655922943 /nfs/dbraw/zinc/92/29/43/655922943.db2.gz WFHCMDNQQOZVJA-GHMZBOCLSA-N 1 0 389.440 1.456 20 0 GDADRO O=C(Cn1ccc(Br)cc1=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000865790672 655926776 /nfs/dbraw/zinc/92/67/76/655926776.db2.gz IPOXAEDBUDPAFG-UHFFFAOYSA-N 1 0 382.302 1.945 20 0 GDADRO C[NH+]1CCN(CCCCNS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000866485424 655946435 /nfs/dbraw/zinc/94/64/35/655946435.db2.gz QGYHUZJXKHKPDF-DEOSSOPVSA-N 1 0 388.559 1.005 20 0 GDADRO C[C@H](CNS(=O)(=O)c1cn(C)nc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000866493072 655947039 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O=C1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCN1Cc1ccc(Br)cc1 ZINC000866670073 655952917 /nfs/dbraw/zinc/95/29/17/655952917.db2.gz UADBBJQYNOZZNV-MRXNPFEDSA-N 1 0 394.313 1.614 20 0 GDADRO O=S(=O)(Cc1ncsc1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000866675006 655953307 /nfs/dbraw/zinc/95/33/07/655953307.db2.gz GKCHIAPMCVKSNS-UWVGGRQHSA-N 1 0 396.332 1.188 20 0 GDADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2ncc(Br)cc2F)C1 ZINC000866711146 655956045 /nfs/dbraw/zinc/95/60/45/655956045.db2.gz CUCRELHTFABRGG-HONMWMINSA-N 1 0 385.237 1.350 20 0 GDADRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2Cl)C1 ZINC000866738495 655957692 /nfs/dbraw/zinc/95/76/92/655957692.db2.gz NYWQDWGUPKZQHO-LLVKDONJSA-N 1 0 377.869 1.096 20 0 GDADRO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000866739014 655957795 /nfs/dbraw/zinc/95/77/95/655957795.db2.gz VYDLNVXJPINRIB-JTQLQIEISA-N 1 0 388.291 1.160 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000866743703 655958171 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Cn1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c(Br)n1 ZINC000866769788 655961056 /nfs/dbraw/zinc/96/10/56/655961056.db2.gz PKCINOYHZZRYKL-QWRGUYRKSA-N 1 0 377.308 1.478 20 0 GDADRO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000866797073 655964647 /nfs/dbraw/zinc/96/46/47/655964647.db2.gz OUEZFJMEACCPLJ-LBPRGKRZSA-N 1 0 389.543 1.703 20 0 GDADRO CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000866808053 655965971 /nfs/dbraw/zinc/96/59/71/655965971.db2.gz XWOKVHYXYDCTNB-OTCDBFHCSA-N 1 0 391.287 1.641 20 0 GDADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000866813990 655966402 /nfs/dbraw/zinc/96/64/02/655966402.db2.gz IDEWTZCASVUTGX-MRXNPFEDSA-N 1 0 392.518 1.615 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)c1Br ZINC000866813881 655966416 /nfs/dbraw/zinc/96/64/16/655966416.db2.gz FTHJIRWQVVJOPS-CYBMUJFWSA-N 1 0 379.324 1.568 20 0 GDADRO O=S(=O)(c1nc[nH]c1Br)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000866822405 655967148 /nfs/dbraw/zinc/96/71/48/655967148.db2.gz DGGYEWLYZKJDTC-LLVKDONJSA-N 1 0 377.308 1.811 20 0 GDADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cnn(C)c2Br)[C@@H](C)C1 ZINC000866864692 655971684 /nfs/dbraw/zinc/97/16/84/655971684.db2.gz XJWVAHCQFMFDHT-WDEREUQCSA-N 1 0 379.324 1.533 20 0 GDADRO C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1Cl)CN1CC[NH+](C)CC1 ZINC000866873020 655972436 /nfs/dbraw/zinc/97/24/36/655972436.db2.gz KAQNUSWNAILZJF-ZDUSSCGKSA-N 1 0 377.913 1.782 20 0 GDADRO Cn1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(Br)n1 ZINC000866880355 655972990 /nfs/dbraw/zinc/97/29/90/655972990.db2.gz OGLCFORTBVBZRR-LBPRGKRZSA-N 1 0 391.335 1.679 20 0 GDADRO Cn1cc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c(Br)n1 ZINC000866918314 655977072 /nfs/dbraw/zinc/97/70/72/655977072.db2.gz NHLRAAWHQGWUKL-UHFFFAOYSA-N 1 0 391.335 1.868 20 0 GDADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000866944250 655980236 /nfs/dbraw/zinc/98/02/36/655980236.db2.gz RHLRMZYSKFYTOZ-JKSUJKDBSA-N 1 0 388.555 1.688 20 0 GDADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)nc1F ZINC000866982889 655983864 /nfs/dbraw/zinc/98/38/64/655983864.db2.gz YWPZPOGSUBTFBI-CHWSQXEVSA-N 1 0 375.441 1.406 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c(OC)cc1F ZINC000866996585 655985587 /nfs/dbraw/zinc/98/55/87/655985587.db2.gz WFLZDMLLFPUXDR-UHFFFAOYSA-N 1 0 376.450 1.582 20 0 GDADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000867003054 655986169 /nfs/dbraw/zinc/98/61/69/655986169.db2.gz DFPDKINXDIYNFF-AWEZNQCLSA-N 1 0 395.319 1.190 20 0 GDADRO C[S@](=O)(=NS(=O)(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000867198469 656011306 /nfs/dbraw/zinc/01/13/06/656011306.db2.gz XIDLNBUOFXWOKF-XMMPIXPASA-N 1 0 389.518 1.991 20 0 GDADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)N=[S@@](C)(=O)c3ccccc3F)C2)C1 ZINC000867301086 656034355 /nfs/dbraw/zinc/03/43/55/656034355.db2.gz VHKHJPSAJFGUPE-WNSKOXEYSA-N 1 0 375.491 1.555 20 0 GDADRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000867308432 656035423 /nfs/dbraw/zinc/03/54/23/656035423.db2.gz JLDLAEDVJGKUSQ-GXFFZTMASA-N 1 0 379.404 1.901 20 0 GDADRO O=C(NCc1ccc(Br)cn1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000867324691 656038181 /nfs/dbraw/zinc/03/81/81/656038181.db2.gz KSOUECLBKHZBCC-UHFFFAOYSA-N 1 0 395.301 1.547 20 0 GDADRO C[NH+](C)CCCS(=O)(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000867464498 656066056 /nfs/dbraw/zinc/06/60/56/656066056.db2.gz LBOCOYSZLXGZTA-UHFFFAOYSA-N 1 0 377.551 1.895 20 0 GDADRO O=C(N1CCC[C@@H](CNS(=O)(=O)CCC[NH+]2CCCC2)C1)C(F)(F)F ZINC000867487430 656069153 /nfs/dbraw/zinc/06/91/53/656069153.db2.gz JONHYWVLPWJRHV-ZDUSSCGKSA-N 1 0 385.452 1.193 20 0 GDADRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cn(C)nc1Br ZINC000867520582 656075617 /nfs/dbraw/zinc/07/56/17/656075617.db2.gz MQWWKRQJGATRDY-LLVKDONJSA-N 1 0 379.324 1.581 20 0 GDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCSCCC(F)(F)F)C1 ZINC000867532030 656078898 /nfs/dbraw/zinc/07/88/98/656078898.db2.gz GFRZNIDLASPZET-CHWSQXEVSA-N 1 0 381.464 1.731 20 0 GDADRO O=S(=O)(Cc1ccc(F)cc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000867534189 656079501 /nfs/dbraw/zinc/07/95/01/656079501.db2.gz LZBPFBIPDYHJFZ-HNNXBMFYSA-N 1 0 376.881 1.840 20 0 GDADRO Cn1ncc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)c1Br ZINC000867537774 656080486 /nfs/dbraw/zinc/08/04/86/656080486.db2.gz QVQQGVIXNOXCJX-UHFFFAOYSA-N 1 0 391.335 1.583 20 0 GDADRO CCC1(N2CCOCC2)CCN(S(=O)(=O)c2ccc(F)nc2F)CC1 ZINC000867566246 656085306 /nfs/dbraw/zinc/08/53/06/656085306.db2.gz JTGOHLXKBXZPOR-UHFFFAOYSA-N 1 0 375.441 1.625 20 0 GDADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc(Cl)cc(C(N)=O)c3)CC2)CC1 ZINC000867619713 656094532 /nfs/dbraw/zinc/09/45/32/656094532.db2.gz YRUIOBXBSNRFIH-UHFFFAOYSA-N 1 0 385.917 1.935 20 0 GDADRO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000867652333 656099372 /nfs/dbraw/zinc/09/93/72/656099372.db2.gz CZIVHJBQPLAHCU-INIZCTEOSA-N 1 0 375.535 1.359 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(F)cc1Cl ZINC000867808504 656119716 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Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000868079773 656139860 /nfs/dbraw/zinc/13/98/60/656139860.db2.gz IGXGOYXDVHSEKW-CQSZACIVSA-N 1 0 375.288 1.724 20 0 GDADRO CCN(CCCNC(=O)NCCC1CC[NH+](C(C)C)CC1)S(C)(=O)=O ZINC000868126416 656141426 /nfs/dbraw/zinc/14/14/26/656141426.db2.gz RQBVEVRMGCRZGE-UHFFFAOYSA-N 1 0 376.567 1.468 20 0 GDADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000868231723 656145220 /nfs/dbraw/zinc/14/52/20/656145220.db2.gz CFCOHWBBNFIEAZ-OTJKEOIZSA-N 1 0 377.535 1.936 20 0 GDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000868235878 656145404 /nfs/dbraw/zinc/14/54/04/656145404.db2.gz JVRQUWWXSZNUSH-CHWSQXEVSA-N 1 0 397.317 1.298 20 0 GDADRO O=C(Nc1ccc(Br)c(Br)c1)C(=O)NC1C[NH2+]C1 ZINC000868246629 656145953 /nfs/dbraw/zinc/14/59/53/656145953.db2.gz VLURGLGBONHLAV-UHFFFAOYSA-N 1 0 377.036 1.238 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000868253571 656146688 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C[C@H](CNC(=O)NCc1ncc(Br)s1)C[NH+]1CCN(C)CC1 ZINC000868359249 656151905 /nfs/dbraw/zinc/15/19/05/656151905.db2.gz WFXXJUPLPPNAHR-LLVKDONJSA-N 1 0 390.351 1.588 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000868386407 656153271 /nfs/dbraw/zinc/15/32/71/656153271.db2.gz GVUBKBMCDSIADY-SMDDNHRTSA-N 1 0 384.274 1.060 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000868386752 656153275 /nfs/dbraw/zinc/15/32/75/656153275.db2.gz LCSVOVUYGVGWTD-CQSZACIVSA-N 1 0 384.274 1.075 20 0 GDADRO COC[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1cccc(Br)c1 ZINC000868385698 656153290 /nfs/dbraw/zinc/15/32/90/656153290.db2.gz XGLAMDLTEAFTPY-BXUZGUMPSA-N 1 0 384.274 1.073 20 0 GDADRO C[C@H]1CN(C(=O)c2cc(I)nn2C)CC[N@@H+](C2CC2)C1 ZINC000868607230 656162760 /nfs/dbraw/zinc/16/27/60/656162760.db2.gz PRCGBQCRRNBCFJ-SNVBAGLBSA-N 1 0 388.253 1.581 20 0 GDADRO Cn1nc(I)cc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000868923576 656174258 /nfs/dbraw/zinc/17/42/58/656174258.db2.gz AMRLMBZQMSGAOE-UHFFFAOYSA-N 1 0 376.242 1.627 20 0 GDADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1nc(Br)sc1Cl ZINC000869081585 656178904 /nfs/dbraw/zinc/17/89/04/656178904.db2.gz OFOWGTZMKBJRMZ-ZETCQYMHSA-N 1 0 395.710 1.751 20 0 GDADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(I)nn1C ZINC000869301401 656190119 /nfs/dbraw/zinc/19/01/19/656190119.db2.gz FMTTXUBUOQPFJT-UHFFFAOYSA-N 1 0 378.258 1.875 20 0 GDADRO C[NH+](C)CCn1cc(C(=O)N2CC(O)(c3cccc(Br)c3)C2)cn1 ZINC000870232761 656223857 /nfs/dbraw/zinc/22/38/57/656223857.db2.gz VWIPUHBEDLGRIP-UHFFFAOYSA-N 1 0 393.285 1.551 20 0 GDADRO Cn1nc(I)cc1C(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000870344499 656230465 /nfs/dbraw/zinc/23/04/65/656230465.db2.gz SUVLNZCLSBUJCH-UWVGGRQHSA-N 1 0 375.210 1.808 20 0 GDADRO [NH3+][C@H](C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000870853947 656250492 /nfs/dbraw/zinc/25/04/92/656250492.db2.gz JJSRDKVBHFQYJI-CABCVRRESA-N 1 0 396.285 1.299 20 0 GDADRO [NH3+][C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000870853950 656250528 /nfs/dbraw/zinc/25/05/28/656250528.db2.gz JJSRDKVBHFQYJI-LSDHHAIUSA-N 1 0 396.285 1.299 20 0 GDADRO COCCC(=O)N1CCC(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870908325 656254713 /nfs/dbraw/zinc/25/47/13/656254713.db2.gz FPOGUUSTBRGNRY-MRXNPFEDSA-N 1 0 398.301 1.593 20 0 GDADRO CC(=O)N[C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000870945813 656258301 /nfs/dbraw/zinc/25/83/01/656258301.db2.gz YDJHMORZSAXNFP-CHWSQXEVSA-N 1 0 390.228 1.740 20 0 GDADRO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870964955 656258999 /nfs/dbraw/zinc/25/89/99/656258999.db2.gz JSPRLTKJAZJELP-GMXVVIOVSA-N 1 0 389.315 1.712 20 0 GDADRO [NH3+][C@@H](C(=O)N1CC[C@H](CN2CCCC2=O)C1)c1cccc(Br)c1 ZINC000870956711 656259065 /nfs/dbraw/zinc/25/90/65/656259065.db2.gz FVHYREGXWHHVOL-MLGOLLRUSA-N 1 0 380.286 1.920 20 0 GDADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1c(I)cnn1C ZINC000871020235 656260437 /nfs/dbraw/zinc/26/04/37/656260437.db2.gz QHPMLQZPWAOQKL-SNVBAGLBSA-N 1 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384.470 1.823 20 0 GDADRO CNS(=O)(=O)CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000872220524 656320307 /nfs/dbraw/zinc/32/03/07/656320307.db2.gz KBZWRCGRWDWPHM-CYBMUJFWSA-N 1 0 383.283 1.325 20 0 GDADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000872229049 656320523 /nfs/dbraw/zinc/32/05/23/656320523.db2.gz MKEADBXRGHLLEC-WDBKCZKBSA-N 1 0 378.252 1.901 20 0 GDADRO O=C(c1ccsc1C(F)(F)F)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303005 656322614 /nfs/dbraw/zinc/32/26/14/656322614.db2.gz SKSISJCWINYVFO-IEBDPFPHSA-N 1 0 375.372 1.774 20 0 GDADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872453869 656332187 /nfs/dbraw/zinc/33/21/87/656332187.db2.gz RESJCJDTOSYPQP-UHFFFAOYSA-N 1 0 392.319 1.311 20 0 GDADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000872459091 656333169 /nfs/dbraw/zinc/33/31/69/656333169.db2.gz QHUWRFMCLLNSFO-DEOSSOPVSA-N 1 0 395.591 1.704 20 0 GDADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cccc(Br)n2)CCSC1 ZINC000872458766 656333237 /nfs/dbraw/zinc/33/32/37/656333237.db2.gz MPWDLRILJSEPRJ-LBPRGKRZSA-N 1 0 380.333 1.560 20 0 GDADRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cccc(Br)n1 ZINC000872478491 656338301 /nfs/dbraw/zinc/33/83/01/656338301.db2.gz XLLBMLLTLGRIGG-GFCCVEGCSA-N 1 0 391.335 1.148 20 0 GDADRO O=C(C[NH2+][C@H]1CCCS(=O)(=O)CC1)Nc1ccc(Br)cc1 ZINC000873016697 656384154 /nfs/dbraw/zinc/38/41/54/656384154.db2.gz PAQSCEUKHUJSJM-LBPRGKRZSA-N 1 0 375.288 1.945 20 0 GDADRO CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000873105746 656386441 /nfs/dbraw/zinc/38/64/41/656386441.db2.gz BKONPUOVXDUVLK-IUCAKERBSA-N 1 0 378.420 1.975 20 0 GDADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)n2)C[C@@H]1C(F)(F)F ZINC000873106269 656386621 /nfs/dbraw/zinc/38/66/21/656386621.db2.gz HGEBSFPSQCAJMH-SFYZADRCSA-N 1 0 395.179 1.378 20 0 GDADRO Cn1c2ccccc2c(Br)c1C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000873109354 656387042 /nfs/dbraw/zinc/38/70/42/656387042.db2.gz NCUQPGGFCYJEJT-UHFFFAOYSA-N 1 0 386.315 1.922 20 0 GDADRO O=C(NCCOC(F)(F)C(F)(F)F)N1CC[NH+](C2CCOCC2)CC1 ZINC000873157751 656388627 /nfs/dbraw/zinc/38/86/27/656388627.db2.gz HWUNZAVRABTNIT-UHFFFAOYSA-N 1 0 375.338 1.664 20 0 GDADRO NS(=O)(=O)c1ccc(C[NH2+]CCC[C@H]2CCOC2=O)cc1Br ZINC000873160108 656388899 /nfs/dbraw/zinc/38/88/99/656388899.db2.gz LFKIXAVRBMBSTO-NSHDSACASA-N 1 0 391.287 1.529 20 0 GDADRO O=S(=O)([C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1)N1CCOCC1 ZINC000873208923 656389744 /nfs/dbraw/zinc/38/97/44/656389744.db2.gz YCJIORKZYNJGPH-INIZCTEOSA-N 1 0 385.555 1.020 20 0 GDADRO COc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000873668150 656402563 /nfs/dbraw/zinc/40/25/63/656402563.db2.gz PSRCDJKSGKPPQR-LLVKDONJSA-N 1 0 396.285 1.997 20 0 GDADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(Br)c1 ZINC000873709340 656404910 /nfs/dbraw/zinc/40/49/10/656404910.db2.gz RQRWLRMBTYFPAI-UHFFFAOYSA-N 1 0 393.079 1.828 20 0 GDADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1nc(Br)c[nH]1 ZINC000921751930 656405794 /nfs/dbraw/zinc/40/57/94/656405794.db2.gz 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C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000878389804 656722581 /nfs/dbraw/zinc/72/25/81/656722581.db2.gz VDGCDGAVOYIYMB-JHJVBQTASA-N 1 0 384.571 1.888 20 0 GDADRO C[C@@H](Sc1nc(CC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cs1)C(N)=O ZINC000878484740 656727288 /nfs/dbraw/zinc/72/72/88/656727288.db2.gz WYMJHYGPTKWFAI-QWHCGFSZSA-N 1 0 384.571 1.888 20 0 GDADRO Cn1cc(Br)cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1=O ZINC000926058348 656732428 /nfs/dbraw/zinc/73/24/28/656732428.db2.gz IMQUXOKPRBOKAV-HTQZYQBOSA-N 1 0 383.168 1.501 20 0 GDADRO Cc1ccc(I)cc1NC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926096428 656735926 /nfs/dbraw/zinc/73/59/26/656735926.db2.gz VBSVSTACJJQVOB-AWEZNQCLSA-N 1 0 389.237 1.917 20 0 GDADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)cn1C)C2 ZINC000926185612 656740188 /nfs/dbraw/zinc/74/01/88/656740188.db2.gz TVTJFHDRTDAHEN-MMTVNHQJSA-N 1 0 384.318 1.997 20 0 GDADRO C[N@H+](CCNC(=O)Nc1cc(Br)ccc1F)CCOCCO ZINC000878694637 656742308 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1.138 20 0 GDADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)ccc(Br)c3C2)C1 ZINC000926436164 656755443 /nfs/dbraw/zinc/75/54/43/656755443.db2.gz PSZSNRULCARBKU-VIFPVBQESA-N 1 0 386.677 1.547 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(C)c(Br)cc3C2)C1 ZINC000926440821 656755663 /nfs/dbraw/zinc/75/56/63/656755663.db2.gz WTVMJRJOPKXFEC-ZDUSSCGKSA-N 1 0 394.313 1.710 20 0 GDADRO CN(C)S(=O)(=O)CC[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000926457018 656756570 /nfs/dbraw/zinc/75/65/70/656756570.db2.gz FTEHLOHDVZNCLM-UHFFFAOYSA-N 1 0 375.535 1.647 20 0 GDADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H]2CCCc3ncc(Br)cc32)C1 ZINC000926507454 656759625 /nfs/dbraw/zinc/75/96/25/656759625.db2.gz BWOHGCLDRITEDS-ZIAGYGMSSA-N 1 0 375.288 1.361 20 0 GDADRO CC[C@@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000926513073 656760032 /nfs/dbraw/zinc/76/00/32/656760032.db2.gz JBACOHRBTPUDBE-HIFRSBDPSA-N 1 0 377.551 1.939 20 0 GDADRO CC(C)[C@H](CNC(=O)Cc1c(Br)cnn1C)[NH+]1CCN(C)CC1 ZINC000879004080 656766322 /nfs/dbraw/zinc/76/63/22/656766322.db2.gz GMHQYWVBQGRLNJ-HNNXBMFYSA-N 1 0 386.338 1.113 20 0 GDADRO COc1cc(Br)cc(NC(=O)NCC[N@H+](C)CCOCCO)c1 ZINC000879067654 656771245 /nfs/dbraw/zinc/77/12/45/656771245.db2.gz WRKXYAGZXQKWIM-UHFFFAOYSA-N 1 0 390.278 1.520 20 0 GDADRO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000879103663 656774747 /nfs/dbraw/zinc/77/47/47/656774747.db2.gz FEEZCWVOYWMTGR-HNNXBMFYSA-N 1 0 375.535 1.791 20 0 GDADRO Cc1cc(NC(=O)NCC[N@@H+](C)CCOCCO)cnc1Br ZINC000879149685 656778210 /nfs/dbraw/zinc/77/82/10/656778210.db2.gz PSOHYMXUNSBLAR-UHFFFAOYSA-N 1 0 375.267 1.215 20 0 GDADRO C[C@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)(C)CO ZINC000926878516 656781624 /nfs/dbraw/zinc/78/16/24/656781624.db2.gz MGDFOISHNCNJAE-KBPBESRZSA-N 1 0 378.535 1.407 20 0 GDADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@]1(C)CC1(Br)Br ZINC000879543913 656804516 /nfs/dbraw/zinc/80/45/16/656804516.db2.gz UIETXIODBXPQML-GHMZBOCLSA-N 1 0 386.128 1.701 20 0 GDADRO 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CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000929473066 656968620 /nfs/dbraw/zinc/96/86/20/656968620.db2.gz VWZFEYPOBCVHGJ-LBPRGKRZSA-N 1 0 386.290 1.234 20 0 GDADRO COC(=O)C1(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000881843513 656969224 /nfs/dbraw/zinc/96/92/24/656969224.db2.gz FXGCCBQJZGTJHN-UHFFFAOYSA-N 1 0 386.539 1.975 20 0 GDADRO CN(C)[S@](=O)(=NS(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000881856239 656973076 /nfs/dbraw/zinc/97/30/76/656973076.db2.gz GIVILNWETCOQPW-IZHWHUGBSA-N 1 0 386.543 1.405 20 0 GDADRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)N=[S@](C)(=O)N(C)C)c1ccccc1 ZINC000881859854 656974550 /nfs/dbraw/zinc/97/45/50/656974550.db2.gz FIPGMALFTWMVLC-ZLOXQWCVSA-N 1 0 376.548 1.525 20 0 GDADRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929687593 656979827 /nfs/dbraw/zinc/97/98/27/656979827.db2.gz XKXUPXLNSOUVLG-HRCADAONSA-N 1 0 376.563 1.613 20 0 GDADRO CC[NH+](CC)[C@H]1CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000929749770 656982665 /nfs/dbraw/zinc/98/26/65/656982665.db2.gz HSTUFYLWYCISOU-JKSUJKDBSA-N 1 0 375.579 1.404 20 0 GDADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000929772448 656984153 /nfs/dbraw/zinc/98/41/53/656984153.db2.gz ORSGLXNVSJXICP-RBSFLKMASA-N 1 0 375.535 1.490 20 0 GDADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+]2CCSC[C@@H]2CCO)CC1 ZINC000929835570 656987364 /nfs/dbraw/zinc/98/73/64/656987364.db2.gz SHVOMLSOWPFUIU-LPMVOBIJSA-N 1 0 375.531 1.022 20 0 GDADRO C[S@@](=O)(=NS(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000881920110 656993426 /nfs/dbraw/zinc/99/34/26/656993426.db2.gz GTWANATUBKZERB-MYYSRTQBSA-N 1 0 395.591 1.488 20 0 GDADRO CC(C)[NH2+]C1CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000929961056 656993519 /nfs/dbraw/zinc/99/35/19/656993519.db2.gz KOXUYKJNIHMQCH-MRXNPFEDSA-N 1 0 375.579 1.450 20 0 GDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000930121802 657001404 /nfs/dbraw/zinc/00/14/04/657001404.db2.gz XQDBPLMMMBSIFM-UHFFFAOYSA-N 1 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376.588 1.673 20 0 GDADRO CC1(C)CC[C@H](CNC(=O)C(=O)NCc2ncc(Br)s2)[NH2+]C1 ZINC000884873399 657383278 /nfs/dbraw/zinc/38/32/78/657383278.db2.gz FBJHPMVCNDINAG-SECBINFHSA-N 1 0 389.319 1.416 20 0 GDADRO CC1(C)CC[C@@H](CNC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)[NH2+]C1 ZINC000884876582 657383715 /nfs/dbraw/zinc/38/37/15/657383715.db2.gz HCBCEKDSOGKLNC-QWHCGFSZSA-N 1 0 382.555 1.654 20 0 GDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)[nH]cc1Br ZINC000935017925 657392698 /nfs/dbraw/zinc/39/26/98/657392698.db2.gz MUTMWLMJFJFZQX-LERXQTSPSA-N 1 0 384.274 1.873 20 0 GDADRO Cc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)nn1-c1ccccc1Br ZINC000935052688 657396244 /nfs/dbraw/zinc/39/62/44/657396244.db2.gz ODVWPODFTRVJGP-KRWDZBQOSA-N 1 0 395.301 1.986 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)NCc2c(Cl)cccc2OC(F)F)CC[C@H]1[NH3+] ZINC000884990757 657397448 /nfs/dbraw/zinc/39/74/48/657397448.db2.gz LGPZMNFUQMXXKP-BXKDBHETSA-N 1 0 375.803 1.753 20 0 GDADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ncc(Br)s1 ZINC000885033245 657411436 /nfs/dbraw/zinc/41/14/36/657411436.db2.gz QODFDESAUJZFKJ-RKDXNWHRSA-N 1 0 375.292 1.250 20 0 GDADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(-n3cccn3)cc2)C[C@@H]1[NH+](C)C ZINC000885078263 657417117 /nfs/dbraw/zinc/41/71/17/657417117.db2.gz FUGIBOBZTRBOQS-IRXDYDNUSA-N 1 0 380.539 1.680 20 0 GDADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C)c(Br)c2)C1 ZINC000885096996 657418726 /nfs/dbraw/zinc/41/87/26/657418726.db2.gz PZNCPZMIGKPZJU-CQSZACIVSA-N 1 0 382.302 1.832 20 0 GDADRO Cc1cc(Br)ccc1CS(=O)(=O)NCCOCC[NH+](C)C ZINC000885100603 657419487 /nfs/dbraw/zinc/41/94/87/657419487.db2.gz IOFCVGKLMOMIFQ-UHFFFAOYSA-N 1 0 379.320 1.755 20 0 GDADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)C(=O)NCc3ncc(Cl)s3)CC2)C1 ZINC000885108325 657420743 /nfs/dbraw/zinc/42/07/43/657420743.db2.gz JMQGISOCNUHRNZ-NWDGAFQWSA-N 1 0 386.905 1.158 20 0 GDADRO CC[C@@H]1CN(C(=O)C(=O)NCCc2sccc2Br)CC[C@@H]1[NH3+] ZINC000885209889 657428739 /nfs/dbraw/zinc/42/87/39/657428739.db2.gz DZQZMIIJXJCDJC-PWSUYJOCSA-N 1 0 388.331 1.755 20 0 GDADRO C[C@@H]1CCN(C(=O)C(=O)NCCc2sccc2Br)C[C@H]1C[NH3+] ZINC000885209769 657428843 /nfs/dbraw/zinc/42/88/43/657428843.db2.gz AHEBGASWJTYPCM-GHMZBOCLSA-N 1 0 388.331 1.613 20 0 GDADRO CC[N@H+](CCO)CCNC(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935433128 657433005 /nfs/dbraw/zinc/43/30/05/657433005.db2.gz VIQPRNLBMHOSBY-UHFFFAOYSA-N 1 0 383.242 1.600 20 0 GDADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000935449511 657434610 /nfs/dbraw/zinc/43/46/10/657434610.db2.gz VWDITXALFRZHSQ-UHFFFAOYSA-N 1 0 385.306 1.696 20 0 GDADRO C[NH+]1CCC(OCC(=O)N(CCO)Cc2cc(Br)cs2)CC1 ZINC000935639011 657459187 /nfs/dbraw/zinc/45/91/87/657459187.db2.gz WKYILMANKZJCIF-UHFFFAOYSA-N 1 0 391.331 1.942 20 0 GDADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000935681891 657467051 /nfs/dbraw/zinc/46/70/51/657467051.db2.gz YHJVHOWBCAULAY-QGZVFWFLSA-N 1 0 393.285 1.921 20 0 GDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(=O)n(C)cc1Br ZINC000935695297 657470068 /nfs/dbraw/zinc/47/00/68/657470068.db2.gz CTYINNOUWHZLPW-LBPRGKRZSA-N 1 0 398.301 1.473 20 0 GDADRO O=C(NC[C@@H]1CN2CCN1CCC2)c1ccccc1[S@](=O)C(F)(F)F ZINC000935843910 657499887 /nfs/dbraw/zinc/49/98/87/657499887.db2.gz XGNRMDTVCLWNLJ-YDBLSZJJSA-N 1 0 375.416 1.434 20 0 GDADRO O=C(NC[C@H]1CN2CCN1CCC2)c1ccccc1[S@@](=O)C(F)(F)F ZINC000935843904 657499937 /nfs/dbraw/zinc/49/99/37/657499937.db2.gz XGNRMDTVCLWNLJ-UOXLDJKESA-N 1 0 375.416 1.434 20 0 GDADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@@H](O)c1cccc(Br)c1 ZINC000885895693 657585605 /nfs/dbraw/zinc/58/56/05/657585605.db2.gz KRVNGCMBTQWSQB-CVEARBPZSA-N 1 0 383.286 1.852 20 0 GDADRO Cn1ncc(I)c1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000886181074 657596418 /nfs/dbraw/zinc/59/64/18/657596418.db2.gz DTSRWIPKJVQWSY-NSHDSACASA-N 1 0 391.253 1.843 20 0 GDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCn2ncc(I)c2C1 ZINC000886199898 657615857 /nfs/dbraw/zinc/61/58/57/657615857.db2.gz PGJYHDIXCUGYQP-PHIMTYICSA-N 1 0 388.253 1.703 20 0 GDADRO Cc1nc(Cl)sc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC000996544876 657626113 /nfs/dbraw/zinc/62/61/13/657626113.db2.gz MBFNAIGLVMCUHQ-NDBYEHHHSA-N 1 0 382.917 1.918 20 0 GDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000886425151 657658082 /nfs/dbraw/zinc/65/80/82/657658082.db2.gz ULUSUHFFVGHDHH-UHFFFAOYSA-N 1 0 385.921 1.920 20 0 GDADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2nc(Cl)cs2)C3)C1 ZINC000999573263 657663546 /nfs/dbraw/zinc/66/35/46/657663546.db2.gz SGCGMHNMQKPDNF-NDBYEHHHSA-N 1 0 382.917 2.000 20 0 GDADRO C[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1nc(Br)cs1 ZINC000886700581 657682218 /nfs/dbraw/zinc/68/22/18/657682218.db2.gz BXTCPYACCUMHIO-MRVPVSSYSA-N 1 0 383.275 1.540 20 0 GDADRO C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000886736783 657686805 /nfs/dbraw/zinc/68/68/05/657686805.db2.gz JZMZKOPNXMGSNC-KGLIPLIRSA-N 1 0 375.535 1.788 20 0 GDADRO OCCOCC1(O)CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000886736909 657687002 /nfs/dbraw/zinc/68/70/02/657687002.db2.gz MYBVLVXVAPMDAO-CYBMUJFWSA-N 1 0 394.295 1.569 20 0 GDADRO CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000886856072 657710863 /nfs/dbraw/zinc/71/08/63/657710863.db2.gz FEDSQJMNJJDVLW-ZDUSSCGKSA-N 1 0 388.921 1.213 20 0 GDADRO [NH3+]CCN(CCC(=O)NC(=O)NCC(F)(F)F)Cc1cccc(Cl)c1 ZINC000886863511 657711778 /nfs/dbraw/zinc/71/17/78/657711778.db2.gz IBVBNDQVFRCIPK-UHFFFAOYSA-N 1 0 380.798 1.879 20 0 GDADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000886896306 657722629 /nfs/dbraw/zinc/72/26/29/657722629.db2.gz FHDUGTZLKLYZDE-VIFPVBQESA-N 1 0 399.822 1.961 20 0 GDADRO COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886896894 657723200 /nfs/dbraw/zinc/72/32/00/657723200.db2.gz YAELEEYDAMUMML-LLVKDONJSA-N 1 0 378.397 1.005 20 0 GDADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886898207 657724695 /nfs/dbraw/zinc/72/46/95/657724695.db2.gz UVLKWRARMNAEHL-VIFPVBQESA-N 1 0 382.816 1.650 20 0 GDADRO CCCNC(=O)Cc1csc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000886974029 657730083 /nfs/dbraw/zinc/73/00/83/657730083.db2.gz LKPUWTAHFDJFSI-SNVBAGLBSA-N 1 0 375.445 1.578 20 0 GDADRO CCN(C(=O)C(=O)Nc1cccc(C(=O)OC)c1Br)[C@H]1CC[NH2+]C1 ZINC000887008071 657736735 /nfs/dbraw/zinc/73/67/35/657736735.db2.gz ZJTWZOODBDIRNE-JTQLQIEISA-N 1 0 398.257 1.385 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)Nc1cccnc1Br ZINC000887035551 657741319 /nfs/dbraw/zinc/74/13/19/657741319.db2.gz RESWFPBHQYQSJO-QMMMGPOBSA-N 1 0 377.189 1.144 20 0 GDADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c(Br)n1 ZINC000887035898 657742170 /nfs/dbraw/zinc/74/21/70/657742170.db2.gz ZLYSLPGTHPWSEE-SECBINFHSA-N 1 0 391.216 1.452 20 0 GDADRO CNC(=O)C1([NH2+]C[C@H](O)COc2ccc(Br)cc2)CCOCC1 ZINC000887081500 657752975 /nfs/dbraw/zinc/75/29/75/657752975.db2.gz UYFMTALONYCWGW-ZDUSSCGKSA-N 1 0 387.274 1.074 20 0 GDADRO C[N@@H+]1C[C@@H]2CN(C(=O)CCNC(=O)c3ccc(Br)cc3)C[C@]2(C)C1 ZINC000887939175 657850353 /nfs/dbraw/zinc/85/03/53/657850353.db2.gz SDZQPSSYICYMSR-KDOFPFPSSA-N 1 0 394.313 1.979 20 0 GDADRO COCCOc1ccc(Br)cc1NC(=O)NCC[N@H+](C)CCO ZINC000887958354 657852149 /nfs/dbraw/zinc/85/21/49/657852149.db2.gz IEGUDATYUCVJOD-UHFFFAOYSA-N 1 0 390.278 1.520 20 0 GDADRO O=C(c1cc(Br)cn2ccnc12)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889741736 658024839 /nfs/dbraw/zinc/02/48/39/658024839.db2.gz FLQORHACMZGYAO-HUUCEWRRSA-N 1 0 393.285 1.768 20 0 GDADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889769606 658035642 /nfs/dbraw/zinc/03/56/42/658035642.db2.gz MEDMJLUXBRAFAQ-CABCVRRESA-N 1 0 393.285 1.997 20 0 GDADRO O=C(N[C@H]1Cc2cc(Br)cnc2NC1=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000889817126 658057647 /nfs/dbraw/zinc/05/76/47/658057647.db2.gz PZWHMZXBLUPMBX-IHRRRGAJSA-N 1 0 393.285 1.840 20 0 GDADRO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)C1 ZINC000889817280 658057729 /nfs/dbraw/zinc/05/77/29/658057729.db2.gz RSVUBXVWJLDGDO-SMDDNHRTSA-N 1 0 395.301 1.946 20 0 GDADRO C[N@H+](CC(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1)[C@@H]1CCSC1 ZINC000890862697 658155798 /nfs/dbraw/zinc/15/57/98/658155798.db2.gz RORVXLURMQNBBZ-OAHLLOKOSA-N 1 0 383.539 1.644 20 0 GDADRO CC[NH+](CC)CCSCC(=O)N1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000891143804 658195400 /nfs/dbraw/zinc/19/54/00/658195400.db2.gz LDIUBZVSDSZCFR-VWLOTQADSA-N 1 0 392.635 1.874 20 0 GDADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)c2ccccc2I)C1 ZINC000891321203 658221356 /nfs/dbraw/zinc/22/13/56/658221356.db2.gz AVHQFXXUUDWKRL-BXUZGUMPSA-N 1 0 388.249 1.783 20 0 GDADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)C2 ZINC000891364341 658231570 /nfs/dbraw/zinc/23/15/70/658231570.db2.gz AZRFEXGWUVDNJW-JTQLQIEISA-N 1 0 377.436 1.554 20 0 GDADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)NCCCN1CCCS1(=O)=O ZINC000891484336 658244162 /nfs/dbraw/zinc/24/41/62/658244162.db2.gz UVNAKKDPKVXEAH-UHFFFAOYSA-N 1 0 388.921 1.236 20 0 GDADRO C[C@]1(Br)C[C@@H]1C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000891588307 658253060 /nfs/dbraw/zinc/25/30/60/658253060.db2.gz XEZGJDXPEFBRHZ-DOMZBBRYSA-N 1 0 388.331 1.630 20 0 GDADRO [NH3+]Cc1cn(-c2cccc(CNC(=O)NC[C@H]3CSCCS3)c2)nn1 ZINC000891663640 658261232 /nfs/dbraw/zinc/26/12/32/658261232.db2.gz BLENFAFZTCGCBP-HNNXBMFYSA-N 1 0 378.527 1.374 20 0 GDADRO C[NH2+]C[C@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000891697723 658266646 /nfs/dbraw/zinc/26/66/46/658266646.db2.gz MRDYZPBSJMKHGE-CQSZACIVSA-N 1 0 388.559 1.427 20 0 GDADRO CC(C)([NH3+])CCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000891858109 658277979 /nfs/dbraw/zinc/27/79/79/658277979.db2.gz MLEXUKZYOMOUEV-ZDUSSCGKSA-N 1 0 383.290 1.981 20 0 GDADRO CCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CC[NH2+]C1 ZINC000891880673 658280381 /nfs/dbraw/zinc/28/03/81/658280381.db2.gz LSXOYUYTAKCRIT-GFCCVEGCSA-N 1 0 392.884 1.151 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891923102 658282655 /nfs/dbraw/zinc/28/26/55/658282655.db2.gz DDGWPGQUQBGHFB-UBSAEIQESA-N 1 0 383.290 1.441 20 0 GDADRO O=C(NCCn1cc(Br)ccc1=O)N1CC[NH2+]CCC12CCC2 ZINC000891925341 658283193 /nfs/dbraw/zinc/28/31/93/658283193.db2.gz WDVQNPMCWMSBBV-UHFFFAOYSA-N 1 0 383.290 1.538 20 0 GDADRO CCOC(=O)c1ncc(Br)c(NC2CC[NH+](CCOC)CC2)n1 ZINC000892013390 658291824 /nfs/dbraw/zinc/29/18/24/658291824.db2.gz MKRKDLUBTYFJGC-UHFFFAOYSA-N 1 0 387.278 1.360 20 0 GDADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000892169601 658301450 /nfs/dbraw/zinc/30/14/50/658301450.db2.gz PNIBFXLIEYITJO-ARLBYUKCSA-N 1 0 380.286 1.765 20 0 GDADRO COC(=O)c1cc(Br)c(NC[C@@H](C)N2CC[NH+](C)CC2)nc1C ZINC000892282609 658315118 /nfs/dbraw/zinc/31/51/18/658315118.db2.gz VYLXOOALGFRJDM-LLVKDONJSA-N 1 0 385.306 1.987 20 0 GDADRO [NH3+]CCCOCCNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892294036 658315629 /nfs/dbraw/zinc/31/56/29/658315629.db2.gz WKNVUTIDXQBTRE-UHFFFAOYSA-N 1 0 396.289 1.799 20 0 GDADRO CC[C@H](Sc1nc(CC(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cs1)C(N)=O ZINC000892353181 658320371 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CC(=O)OC[C@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000894442202 658558572 /nfs/dbraw/zinc/55/85/72/658558572.db2.gz YAAHYUVWTVLYPF-NSHDSACASA-N 1 0 393.303 1.577 20 0 GDADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C(F)(F)F ZINC000894681088 658596942 /nfs/dbraw/zinc/59/69/42/658596942.db2.gz FLVOKQHTHKXUCA-KZVDOYCCSA-N 1 0 387.420 1.036 20 0 GDADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894689540 658598915 /nfs/dbraw/zinc/59/89/15/658598915.db2.gz DPVWEJYMGRIDEH-WCQYABFASA-N 1 0 377.938 1.881 20 0 GDADRO Cc1ncc(I)c(NCCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000894722240 658601264 /nfs/dbraw/zinc/60/12/64/658601264.db2.gz AGFAGMLGBAHUSR-NSHDSACASA-N 1 0 389.241 1.141 20 0 GDADRO C[N@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000894838509 658624186 /nfs/dbraw/zinc/62/41/86/658624186.db2.gz OSSRJRKLZSZLQR-NEPJUHHUSA-N 1 0 385.477 1.501 20 0 GDADRO C[N@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000894838510 658624214 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CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000895818867 658731798 /nfs/dbraw/zinc/73/17/98/658731798.db2.gz GBDYRFZFDJLAIB-XHDPSFHLSA-N 1 0 381.270 1.989 20 0 GDADRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cn(C)nc3I)O2)CO1 ZINC000895818129 658731866 /nfs/dbraw/zinc/73/18/66/658731866.db2.gz OULQACNAFXGNHO-MPKXVKKWSA-N 1 0 391.253 1.841 20 0 GDADRO COc1sc(CN2CCC(O)(COCCO)CC2)cc1Br ZINC000895830729 658732656 /nfs/dbraw/zinc/73/26/56/658732656.db2.gz ZTTRXIHAMNUDIE-UHFFFAOYSA-N 1 0 380.304 1.855 20 0 GDADRO CCOc1cc(C[NH2+]C2(C(=O)NC)CCOCC2)cc(Br)c1O ZINC000895884277 658737205 /nfs/dbraw/zinc/73/72/05/658737205.db2.gz JBVOHCZDJIJRQX-UHFFFAOYSA-N 1 0 387.274 1.938 20 0 GDADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c(C)[nH]nc2I)C1 ZINC000895972377 658742844 /nfs/dbraw/zinc/74/28/44/658742844.db2.gz VVZUEKAQKWVGFJ-SNVBAGLBSA-N 1 0 376.242 1.784 20 0 GDADRO COc1ncc(Br)cc1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000895983834 658743048 /nfs/dbraw/zinc/74/30/48/658743048.db2.gz SCXGXTKJBAROIC-UHFFFAOYSA-N 1 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C[C@H](C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)N1CCCCC1 ZINC000899872452 659062955 /nfs/dbraw/zinc/06/29/55/659062955.db2.gz BOVHCPLKYRKASX-CVEARBPZSA-N 1 0 375.579 1.452 20 0 GDADRO COCC[N@H+](C)C[C@H](O)Cn1c(C)nc(Br)c1Br ZINC000899898497 659064962 /nfs/dbraw/zinc/06/49/62/659064962.db2.gz HEFYHUSIHWBRGI-VIFPVBQESA-N 1 0 385.100 1.656 20 0 GDADRO O=C(c1cc2ncc(Br)cn2n1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000900007570 659083388 /nfs/dbraw/zinc/08/33/88/659083388.db2.gz NYWGJRRZWSSBFM-UHFFFAOYSA-N 1 0 387.241 1.849 20 0 GDADRO COC(=O)C1CC[NH+](CCCNC(=O)CN2CSCCSC2)CC1 ZINC000900207352 659091553 /nfs/dbraw/zinc/09/15/53/659091553.db2.gz VYEYQNPEOJYBPD-UHFFFAOYSA-N 1 0 375.560 1.075 20 0 GDADRO COCC[NH+]1CCC(NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000900383513 659103603 /nfs/dbraw/zinc/10/36/03/659103603.db2.gz UQPIIBBGPHAJQI-UHFFFAOYSA-N 1 0 389.283 1.345 20 0 GDADRO COc1cc(Br)c(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1OC ZINC000900518585 659117714 /nfs/dbraw/zinc/11/77/14/659117714.db2.gz 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380.436 1.835 20 0 GDADRO O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(I)s1 ZINC000903515878 659324340 /nfs/dbraw/zinc/32/43/40/659324340.db2.gz TVOKCUQZOUEIOF-KCJUWKMLSA-N 1 0 398.291 1.916 20 0 GDADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000903521351 659327435 /nfs/dbraw/zinc/32/74/35/659327435.db2.gz RWZPVLBKFLMDLM-UHFFFAOYSA-N 1 0 388.555 1.617 20 0 GDADRO O=C1O[C@H](CNS(=O)(=O)c2cc3ccccc3s2)CC12CC[NH2+]CC2 ZINC000903520320 659327643 /nfs/dbraw/zinc/32/76/43/659327643.db2.gz TVQVJZIHZLEFIP-ZDUSSCGKSA-N 1 0 380.491 1.865 20 0 GDADRO CN(CCOCC[NH3+])S(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903525756 659329973 /nfs/dbraw/zinc/32/99/73/659329973.db2.gz ZHMRSOVOUFZPKF-UHFFFAOYSA-N 1 0 385.711 1.839 20 0 GDADRO CCOC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2C)c(Br)c1 ZINC000903530288 659331284 /nfs/dbraw/zinc/33/12/84/659331284.db2.gz WEMSHWPABACYGG-BXKDBHETSA-N 1 0 391.287 1.512 20 0 GDADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ncccc1Br ZINC000903544427 659335150 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380.388 1.682 20 0 GDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1C ZINC000903580870 659351498 /nfs/dbraw/zinc/35/14/98/659351498.db2.gz YTMSWWKDKNQHTJ-STQMWFEESA-N 1 0 380.388 1.682 20 0 GDADRO Cn1ncc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1Br ZINC000903581207 659351772 /nfs/dbraw/zinc/35/17/72/659351772.db2.gz BKKLTVTWMRCTFP-BQBZGAKWSA-N 1 0 391.213 1.083 20 0 GDADRO COc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903589040 659355901 /nfs/dbraw/zinc/35/59/01/659355901.db2.gz MLRCTVSXDJQKDY-YGRLFVJLSA-N 1 0 375.288 1.960 20 0 GDADRO [NH3+]CCc1ccc2c(c1)CCCN2S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000903599618 659359161 /nfs/dbraw/zinc/35/91/61/659359161.db2.gz YKDPKPWVPLTXSG-OAHLLOKOSA-N 1 0 386.539 1.095 20 0 GDADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903719166 659377687 /nfs/dbraw/zinc/37/76/87/659377687.db2.gz IHPCKIXVOJTDSP-WDEREUQCSA-N 1 0 378.782 1.432 20 0 GDADRO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C[C@@H]1[NH3+] ZINC000903763141 659379419 /nfs/dbraw/zinc/37/94/19/659379419.db2.gz NZSFQDHZMBEDOQ-KGLIPLIRSA-N 1 0 395.301 1.703 20 0 GDADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000903792980 659380815 /nfs/dbraw/zinc/38/08/15/659380815.db2.gz VQUVJPCWCCQBHY-NSHDSACASA-N 1 0 398.276 1.541 20 0 GDADRO COC[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)c1cccc(Br)c1 ZINC000903791649 659380859 /nfs/dbraw/zinc/38/08/59/659380859.db2.gz IXYHIZMYHJZDEC-KBPBESRZSA-N 1 0 398.301 1.449 20 0 GDADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C[C@H](C)[NH2+]1 ZINC000903798369 659381074 /nfs/dbraw/zinc/38/10/74/659381074.db2.gz BGEBZGXTZWFILJ-TYNCELHUSA-N 1 0 395.301 1.716 20 0 GDADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000903802762 659381864 /nfs/dbraw/zinc/38/18/64/659381864.db2.gz XEAYFOZQIHWBIA-IUODEOHRSA-N 1 0 395.301 1.576 20 0 GDADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000903968128 659390472 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